smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1c(C#N)c(NC(=O)CSc2nnc(CCC3CCCC3)[nH]2)n(C2CCCC2)c1C 12154257 WRIZGGYIFKODOT-UHFFFAOYSA-N 440.617 5.063 30 20 IKED C=CCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)Cc1cccs1 16395460 RIQIKORJFRBQFA-GOSISDBHSA-N 427.620 5.237 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)c1nnc(-c2cccs2)o1 19296872 KYHRCMYHMFGVMD-ZDUSSCGKSA-N 443.529 5.147 30 20 IKED Cc1c(C#N)c(NC(=O)CSC2=Nc3ccccc3CS2)n(Cc2ccco2)c1C 21627747 HUTLOIALGSYJQM-UHFFFAOYSA-N 436.562 5.224 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 32785817 RRLAXCYFSVPHFM-CQSZACIVSA-N 447.391 5.481 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl 32789358 TVRSZQDAKSDRIJ-CQSZACIVSA-N 447.391 5.481 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnc(-c3ccc(C)cc3C)s2)cc1 61192391 HBLDHDNUMUGJRI-UHFFFAOYSA-N 431.561 5.493 30 20 IKED CC[C@H](C#N)Oc1cc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)ccc1OC 236896788 ASLJIDIVXPFFMN-QGZVFWFLSA-N 437.521 5.303 30 20 IKED C=CCc1cc(CN[C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)cc(OC)c1O 237395631 ZOGGTWCHHPOWNN-GOSISDBHSA-N 448.538 5.300 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](Cc1ccccc1)c1ccccc1 303395545 PNQZZEPWUQTRAX-GBXCKJPGSA-N 429.589 5.593 30 20 IKED CN(C(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 409911910 PWIAYFMSDGSNKL-IRLDBZIGSA-N 438.453 5.171 30 20 IKED C=CCCc1ccccc1NC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1 410363366 FRPCWBWHIBHYCI-KNQAVFIVSA-N 430.470 5.372 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 429924529 LEEPPACZKRHWDD-CQSZACIVSA-N 449.498 5.498 30 20 IKED COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C#N)cc2Cl)c1 430363294 VMIMMYMYNHSKRY-UHFFFAOYSA-N 428.879 5.325 30 20 IKED Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1sc2ccc(C#N)cc2c1C 431330647 CGBNFTBXYMHMHK-UHFFFAOYSA-N 431.561 5.514 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)c1ccccc1 435745021 ISIYVEUSUFUTQG-JOCHJYFZSA-N 449.938 5.076 30 20 IKED COc1cc(OCc2csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n2)ccc1C#N 436250312 FVVFNFOKZQVVNR-UHFFFAOYSA-N 447.438 5.306 30 20 IKED N#CC1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccc3ccccc3c2)CC1 441151808 VQFNPZBJTBCIKB-QRBGHJKUSA-N 443.591 5.059 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H]3C[C@@H]3C3CCCCC3)cc2Cl)cc1 442550858 DGTZNPMAZRMKTA-CTNGQTDRSA-N 437.927 5.027 30 20 IKED C=CCN(C(=O)Nc1cc(Cl)c(C)cc1Cl)[C@@H](C)c1cccc(-n2cnnn2)c1 443949439 WZNLZWOAQMPSBJ-AWEZNQCLSA-N 431.327 5.059 30 20 IKED C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 460812554 JVRYUOCSHBHEIC-SIKLNZKXSA-N 426.605 5.217 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)cc1Cl 462919144 NFLADKACXVXWMZ-RDPSFJRHSA-N 432.907 5.654 30 20 IKED CCCc1c(NC(=O)N(C)[C@H]2CCCC[C@H]2C(F)(F)F)cnn1-c1cccc(C#N)c1 463664489 NTZVXJIOCGMQBT-MJGOQNOKSA-N 433.478 5.281 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1SCCc2sccc21 463747943 JCPLTSCTNFQQOP-MRXNPFEDSA-N 428.526 5.742 30 20 IKED COCCOCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 464193507 PZLDRLFETARGAJ-LJQANCHMSA-N 426.925 5.117 30 20 IKED O=C(Nc1cccc(CC(F)(F)F)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 464404925 JORLVCKSOILPPU-UHFFFAOYSA-N 431.311 5.387 30 20 IKED Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 470261780 VPDFNSDVMFUXAJ-CLJLJLNGSA-N 426.516 5.096 30 20 IKED C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)OC 473774578 UCHUDJUYEPWKIG-UHFFFAOYSA-N 441.471 5.145 30 20 IKED N#Cc1ccc(C2(C(=O)NCCCCSc3ccccc3Br)CC2)cc1 473842980 YFUDGQHFONJLLH-UHFFFAOYSA-N 429.383 5.041 30 20 IKED Cc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1NC(=O)N(C)C 478640182 RWLDLWFPSHKDSG-UHFFFAOYSA-N 432.455 5.144 30 20 IKED C[C@H]1CCCCN1CCC1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 478804781 JYOBLTDTIHFDGZ-VQTJNVASSA-N 428.646 5.589 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(OC(F)F)cc3)cc2F)c1 481691207 WHVUARJHRYFFMB-UHFFFAOYSA-N 441.409 5.199 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@H](CCCC#N)c3ccccc3)c12 487475114 PMGVEXLNLZWZHN-OAQYLSRUSA-N 429.568 5.537 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2noc(C(F)(F)F)n2)c1 490462828 BFNYKSHNHHTCRJ-UHFFFAOYSA-N 443.429 5.317 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H](c4nc5c(s4)CCCC5)C3)cc2)nc1 491098036 BVQCJRZVPRWZQB-IBGZPJMESA-N 444.560 5.101 30 20 IKED N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1nc(-c2ccc(Cl)cc2)cs1 496571900 LHJMGYPTFIGBHI-CQSZACIVSA-N 449.822 5.463 30 20 IKED C=CCN(CCc1ccco1)C(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 498162293 KXXVLWNODPYQEK-LJQANCHMSA-N 449.526 5.101 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 503498469 LXAWYRZRCZNNMR-UHFFFAOYSA-N 448.526 5.639 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)CCc3cc(Cl)ccc3Br)CC2)cc1 503823735 DUBPMECICQWUCV-UHFFFAOYSA-N 429.745 5.223 30 20 IKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc(C)cs3)c3ccccc3n2)cc1OC 505293666 LHUWBIUMNWTWGY-GOSISDBHSA-N 429.501 5.174 30 20 IKED C[C@H](NC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc(C#N)cc1 505311657 RYDPOQCUNXRGRA-FQEVSTJZSA-N 435.531 5.030 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)c2)c1 505980831 FXGSZVTYEKZRHM-JOCHJYFZSA-N 435.405 5.151 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C 508301527 AFHGMUJVMOEFET-ULQDDVLXSA-N 439.943 5.021 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 509910423 KAGZIQSYRAIXJF-AREMUKBSSA-N 441.531 5.709 30 20 IKED COCCN(Cc1cccs1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510022917 HGTJVTPISVJIRI-NRFANRHFSA-N 439.968 5.737 30 20 IKED Fc1cccc(F)c1-n1ccc(CN[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)n1 510455414 DURHTUDCZJRGLH-KRWDZBQOSA-N 433.327 5.145 30 20 IKED Cc1sc(NC(=O)c2ccccc2-c2ccccc2C#N)nc1-c1cccc([N+](=O)[O-])c1 511060570 FPEJAOUPWRKILL-UHFFFAOYSA-N 440.484 5.818 30 20 IKED CCN(C)C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 511722746 NRXVEPRRHNDWLZ-BSMLIHBTSA-N 447.604 5.193 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccccc2NC(=O)c2ccccc2)c1 512334290 PFKFZOAHTCUBST-UHFFFAOYSA-N 447.494 5.642 30 20 IKED Cc1cc(C)cc(OCc2noc(CNc3cccc(OCc4cccc(C#N)c4)c3)n2)c1 513787301 WTWGEMWIYHDNQQ-UHFFFAOYSA-N 440.503 5.328 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Nc1cccc(OCc2cccc(C#N)c2)c1 515756194 QAKOGKPGBYSJOL-HXUWFJFHSA-N 427.548 6.008 30 20 IKED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 516733185 GNXQZSDLKTWDGD-KRWDZBQOSA-N 439.471 5.255 30 20 IKED COc1ccc(-c2nc3c(s2)[C@H](NC(=O)N[C@H](C)c2ccc(C#N)cc2)CCC3)cc1 520264426 KPUSNOQZIOPTNV-QVKFZJNVSA-N 432.549 5.128 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3cccc(NC(=O)c4cccnc4)c3)c2)cc1 520530762 ODOCNMDHHIKIAJ-UHFFFAOYSA-N 434.455 5.250 30 20 IKED COc1ccc([C@H](Cc2ccc(F)cc2)N[C@H](C)C(=O)N(CCC#N)c2ccccc2)cc1 520625196 RSATUICJFGLFBH-IBVKSMDESA-N 445.538 5.043 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccccc3NC(=O)C[C@H]3C=CCC3)cc2)nc1 521076964 PYXZUWQCXISSOZ-SFHVURJKSA-N 438.487 5.293 30 20 IKED C=CCc1cc(CNC(=O)N[C@H](C)c2oc3ccc(OC)cc3c2C)cc(OC)c1OC 521237877 JOYAGTKPBCMOHA-MRXNPFEDSA-N 438.524 5.056 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(NC(=O)c2ccncc2)c1 521811140 VAKBBEAUSVYOHL-QGZVFWFLSA-N 445.548 5.050 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1 523404522 VJBPDMOSOOGYGG-JOCHJYFZSA-N 442.490 5.011 30 20 IKED COc1ccc(C[C@@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cc1OC 525077829 LQBBRZKDAUEONM-QGZVFWFLSA-N 432.545 5.088 30 20 IKED N#CC1(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc(Cl)cc2)CC3)CCOCC1 533871509 JPAJAGGIHICQLW-SDXDJHTJSA-N 443.934 5.178 30 20 IKED C=C[C@H](CC(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1)c1ccccc1 534676380 DEDFUVQLSZRZHZ-CQSZACIVSA-N 441.318 5.334 30 20 IKED CC[C@H](C)n1ncc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1C1CC1 536478153 CUZIXBNAQXRLGG-HNNXBMFYSA-N 433.487 6.179 30 20 IKED CC(C)Sc1ccc([C@@H](C)NCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 537102454 CHOSLGRSOBFWIU-QZTJIDSGSA-N 427.639 5.728 30 20 IKED C[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(NC(=O)c2ccccc2)c1 540597863 XVPKRUYHNRCHKC-OAQYLSRUSA-N 438.575 5.126 30 20 IKED C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CCC(C#N)(c2ccccn2)CC1 548864927 FEBBIXAUDNFJOB-CQSZACIVSA-N 428.323 5.057 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cc1csc(-c2ccccc2Cl)n1 553116070 MRYPFFMDEOVJRI-UHFFFAOYSA-N 428.989 5.388 30 20 IKED CC(C)Cn1ncc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C1CC1 554136518 ZEQPVTHPBDLGFF-OAQYLSRUSA-N 447.970 6.369 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCc1ccc(Br)cc1C#N 554264171 NEENUDOHPHKKCB-GFCCVEGCSA-N 430.346 5.743 30 20 IKED CCO[C@@H](c1noc(-c2ccc(C(F)(F)F)cn2)n1)c1ccc(F)cc1C(F)(F)F 561933384 IJVNGEITNFYNPI-CQSZACIVSA-N 435.299 5.434 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2noc3cc(F)ccc23)CC1 562024885 NWTPVIQVODVWRX-HNNXBMFYSA-N 438.528 5.773 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 562223786 KGUVIPKTHVIBEK-UHFFFAOYSA-N 427.888 5.223 30 20 IKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)Cc1ccc(Br)cc1C#N 572193713 LQQKAEDKMPLWNS-UHFFFAOYSA-N 445.748 5.436 30 20 IKED N#Cc1ccc(N2CC[C@@H](c3nc([C@@H](F)c4ccc(C(F)(F)F)cc4)no3)C2)c(F)c1 573762090 BNTPVMGWTQWJNI-KDOFPFPSSA-N 434.368 5.152 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NC3(CCOCc4ccccc4)CC3)cc2)ccn1 589364174 NGQAKUUBPIDNHW-UHFFFAOYSA-N 428.492 5.007 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CCc3nc(-c4ccc(Cl)cc4)no3)cn2)c1 603623846 OHQZXARSYHLDCT-UHFFFAOYSA-N 445.866 5.020 30 20 IKED CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cccc(Cl)c1 604464498 DCAAEPWEXLJZAY-JOCHJYFZSA-N 433.895 5.210 30 20 IKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604522831 FBZFJNAMZKZUKC-GJZUVCINSA-N 441.531 5.982 30 20 IKED C[C@H](C(=O)Nc1ccc(OC(F)F)cc1OC(F)F)c1ccccc1C(F)(F)F 607793674 HKAXVLZHEVZBSD-VIFPVBQESA-N 425.300 5.650 30 20 IKED N#C[C@@H](C(=O)c1ccc(OC2CCOCC2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 608552831 BMLPJJWLWAPKQT-KRWDZBQOSA-N 446.450 5.363 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccccc4Cl)C3)cn2)c1 609147524 AZBFEIAMGZGZFQ-OAQYLSRUSA-N 434.883 5.004 30 20 IKED C[C@H]1CCN(C(=O)c2cc3ccccc3n2CC#N)c2cc(C(F)(F)F)ccc2S1 609165528 ZHBYGQDZFAYTER-AWEZNQCLSA-N 429.467 5.715 30 20 IKED CCCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1cc(Cl)ccc1C#N 609285811 FWPYWBMYGJDDFD-UHFFFAOYSA-N 428.319 5.896 30 20 IKED Cc1oc(-c2ccco2)nc1CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609378246 XWDHOWBZSRGHEQ-UHFFFAOYSA-N 435.427 5.449 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CC[C@@H]1Cc2ccccc2NC1=O 609494565 SHCZZSNQCCOKCQ-HXUWFJFHSA-N 443.934 5.336 30 20 IKED Cn1ccnc1[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccccc1 609722346 TZDYRYWAOHCRDV-QHCPKHFHSA-N 442.906 5.257 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCCC[C@H]2c2noc(C3CC3)n2)cc1 609975590 SOEZNXODPAGTFQ-FQEVSTJZSA-N 432.455 5.117 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 610632500 GZDVDRVZYRYHDB-UTUOFQBUSA-N 425.398 5.285 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 615682565 DNUZDKXQIVJSBM-ZIAGYGMSSA-N 426.376 5.433 30 20 IKED C[C@@H](c1cc(F)ccc1F)N(C)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 616090254 SISNFPWSENOPDO-MEWQQHAOSA-N 432.355 5.577 30 20 IKED O=C(N[C@@H]1CCSc2ccc(F)cc21)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618548154 PMXVZRBQRGUWHI-GIPNMCIBSA-N 430.389 5.135 30 20 IKED N#Cc1cc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OC(F)(F)F 619667135 FCHTYIGOSICEHJ-AOOOYVTPSA-N 449.273 5.051 30 20 IKED C[C@@H](Oc1ccc2ccccc2c1)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccs1 619853990 PYXDMGGNOKYGQV-OSPHWJPCSA-N 447.539 5.123 30 20 IKED O=C(Nc1ccc(OCC(F)F)cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 673971663 BPKFCTVXHILHAN-UWVGGRQHSA-N 434.327 5.362 30 20 IKED CC(C)Oc1cc(F)ccc1NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 679353592 FZYZFATVDPQQOI-QWRGUYRKSA-N 430.364 5.644 30 20 IKED O=C(Nc1cc(-c2ccccc2F)on1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 683968090 GVOLFYHYLAGRJA-NXEZZACHSA-N 425.304 5.075 30 20 IKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)OC[C@@H](C#N)Cc3ccc(F)cc3)c12 726328863 NABPSLMVVSNJBE-MRXNPFEDSA-N 433.414 5.016 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc2c(c1)CCCN2C 728119509 OLMDWGMTLSORKF-UHFFFAOYSA-N 440.547 5.150 30 20 IKED Cc1ncccc1/C=C1\CN(Cc2ccccc2Cl)C/C(=C\c2cccnc2C)C1=O 728787903 WGNJFJHXCGCGHL-RNIAWFEPSA-N 429.951 5.299 30 20 IKED COc1ccccc1C/C(C)=C\C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 730218028 DZROEHYOJDWVOK-RKYDEWFRSA-N 426.516 5.144 30 20 IKED O=C1/C(=C\c2cccc(F)c2F)CN(Cc2ccccn2)C/C1=C/c1cccc(F)c1F 730728944 ATUOKSPIXXDJFK-ZAORYEFMSA-N 438.424 5.190 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 732707821 GGBYQFHKTDMWSL-OAQYLSRUSA-N 448.469 5.843 30 20 IKED CC[C@@H](C#N)Oc1cc(CNCc2csc(-c3ccc(Cl)cc3)n2)ccc1OC 733329914 FZSZKECGPBCVSU-IBGZPJMESA-N 427.957 5.443 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](c3ccccc3)N3CCCCC3=O)n2)cc1 733679770 NUSVVGRGKZGQDX-OFNKIYASSA-N 429.545 5.049 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](O)c1cccc(OC(C)C)c1 735172362 CGKXNNFGUWPFSS-RUZDIDTESA-N 445.519 5.301 30 20 IKED COC(=O)[C@@H](Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1ccc(C#N)cc1 740002758 XEUDTTCMPAZYHE-FQEVSTJZSA-N 445.372 5.230 30 20 IKED N#C[C@@H](C(=O)CCc1nc(-c2ccoc2)no1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 740534080 CGXKDXFPNYIPSL-XHBUVVKHSA-N 448.548 5.063 30 20 IKED Cn1cc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)c(-c2ccc3c(c2)OCCCO3)n1 740615810 CFKMTFFRSDPMTC-WEVVVXLNSA-N 428.410 5.163 30 20 IKED N#Cc1cccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)(F)F)c1 740785866 LSPOHATXQWDRNC-UHFFFAOYSA-N 434.361 5.249 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F 741426607 FJXVGJXRVDTISZ-YESZJQIVSA-N 426.394 5.070 30 20 IKED COc1ccc2sc(C(=O)[C@H](C#N)C(=O)Nc3cc(C)c(Cl)cc3OC)c(C)c2c1 744028057 FDSGFKAMBWYKJV-HNNXBMFYSA-N 442.924 5.150 30 20 IKED C[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Br)s1 744031440 XGZKSAUKODEODA-WPRPVWTQSA-N 446.153 5.268 30 20 IKED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)c1 744936588 SYGVZQPCEQGZCW-CQSZACIVSA-N 446.315 5.087 30 20 IKED C=C(C)COc1cc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1OC 747045484 BKXHLYCJAMABOL-UHFFFAOYSA-N 445.544 5.279 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2CSC2=NCCS2)cc1 747358660 IEWZQTXVYFOXIM-QHCPKHFHSA-N 443.597 5.930 30 20 IKED COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 752485940 UOAVOONQTSDAKA-BAEUJYSMSA-N 425.532 5.966 30 20 IKED C[C@H](Sc1nc2cc(C(F)(F)F)ccc2s1)C(=O)N(CCC#N)c1ccccc1 753853681 GRXVMTUDECUJML-ZDUSSCGKSA-N 435.496 5.743 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)cc1 754405578 YVHYJDYMAYVIBT-UTKZUKDTSA-N 436.508 5.279 30 20 IKED COc1ccc(/C=C2/CCc3sc(Br)cc3C2=O)cc1OCCCC#N 754687285 LMCPLCBEGLWZAT-UVTDQMKNSA-N 432.339 5.414 30 20 IKED CCc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccc(Cl)c(C#N)c2)cs1 754907348 YGPWTXJMFUQHIP-UHFFFAOYSA-N 439.924 5.272 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C 756480697 TZZAASLXRKUNLZ-ZHALLVOQSA-N 446.617 5.238 30 20 IKED COc1cccc([C@H](NC(=O)Nc2ccc(F)cc2OCC#N)c2ccccc2Cl)c1 761665214 YVUCGPPVGGRXCP-QFIPXVFZSA-N 439.874 5.301 30 20 IKED Cc1nc([C@@H](C)OC(=O)CCc2c(C)nn(CCC#N)c2C)oc1-c1ccc(Cl)cc1 763933795 RBLYDOWOYPNOKL-QGZVFWFLSA-N 440.931 5.267 30 20 IKED Cc1cc(F)cc2c(N3CCC(O)(c4ccccc4C(F)(F)F)CC3)c(C#N)cnc12 764915532 ZDBBUARUJLWXAD-UHFFFAOYSA-N 429.417 5.061 30 20 IKED C=C(C)Cn1c(S[C@@H](C)C(=O)Nc2ccc3ccccc3c2)nnc1-c1ccncc1 768414788 MBRGTDAYLOZYPZ-KRWDZBQOSA-N 429.549 5.189 30 20 IKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(C(=O)C(F)(F)F)CC1 773064913 ZREIWYGTJNYMRF-UPHRSURJSA-N 447.297 5.107 30 20 IKED C[C@@H](NC(=O)CC(C)(C)C)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 778607501 VWDAXULTAYNCQS-BXUZGUMPSA-N 438.380 5.234 30 20 IKED CC(C)Cn1c(-c2ccc(Cl)cc2Cl)nn(CN2CCC(CC#N)CC2)c1=S 781572312 QFZBCUVGKFVMBT-UHFFFAOYSA-N 438.428 5.627 30 20 IKED CC[C@@H](NC(=O)[C@@H](C#N)C(=O)c1cc2cc(Br)cc(C)c2o1)c1ccccc1 787036202 HQAPFIOPLNMXEN-ZWKOTPCHSA-N 439.309 5.094 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OCCCC)cc2)[n+]2ccccc2)c1 789400894 GHHCWKIWKLCITL-UHFFFAOYSA-O 429.565 5.458 30 20 IKED N#C[C@H](C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc2ccccc2n1 792111114 QUIKVSPDJSJASE-YVACAVLKSA-N 435.327 5.557 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(F)c(N3CCOC3=O)c2)cc1 794092959 GEZRPXUSWGADLP-UHFFFAOYSA-N 431.423 5.007 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2[C@H]3CC[C@H]2CC(Cc2ccccc2)C3)cc1C#N 806363504 BUTSFXRDZHVOIX-VXKWHMMOSA-N 432.524 5.144 30 20 IKED COc1ccc(N2C(=O)/C(=C/c3ccc(C#N)cc3C(F)(F)F)SC2=S)cc1F 811624435 FAYDYDKQQGQMMM-APSNUPSMSA-N 438.427 5.131 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@H]1c1noc(-c2cccc(OCc3ccccc3C#N)c2)n1 904697167 AMLIQKYXNVIJPL-NRFANRHFSA-N 446.507 5.259 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CCCCC#N)c1nc(-c2ccc(Br)cc2)no1 904709286 ATHCAXZLPIYSQH-HNNXBMFYSA-N 435.322 5.149 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)/C=C\c2ccc3ccc(Cl)cc3n2)cc1 912874184 YARDSNXXEHWDSP-GFBZKKKVSA-N 447.922 5.088 30 20 IKED CCOc1ccc(-c2noc(CCC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)n2)cc1 915102503 VEOZMDBLQNVYCE-LJQANCHMSA-N 444.516 5.068 30 20 IKED N#C[C@@H](C(=O)COc1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2)cs1 916628021 IEWCMEGHBRMZOH-INIZCTEOSA-N 447.741 5.481 30 20 IKED N#Cc1ccccc1/C=C/C(=O)C(c1nc2ccccc2s1)c1nc2ccccc2s1 916845362 UZLCHSMUMYUYSB-BUHFOSPRSA-N 437.549 6.192 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(SC(F)(F)F)cc1 916928776 UAIPVWDFOBFIMA-GFCCVEGCSA-N 433.238 5.566 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3cc(Br)ccc3o2)cc1 916948842 KCCPWIQONCFNNB-UGSOOPFHSA-N 439.309 5.670 30 20 IKED Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)CSCc2ccc(C#N)cc2)c2ccccc2)c1 917262011 FQAVWABWTIKEEP-VWLOTQADSA-N 444.556 5.332 30 20 IKED Cc1sc(=O)n(CC(=O)Nc2sc(-c3ccccc3)cc2C#N)c1-c1ccc(F)cc1 917716565 LTPBNUUMWCCFJG-UHFFFAOYSA-N 449.532 5.263 30 20 IKED CCOc1cc(C#N)ccc1OC(=O)c1csc(-c2cc(Br)cs2)n1 918485351 XADMJHNYMIMOSO-UHFFFAOYSA-N 435.324 5.124 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cn(Cc2ccccc2)c2ccccc12 920102164 QUMZNBDFQPNFGI-QFIPXVFZSA-N 431.495 5.685 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 920108252 DHUQSGGKMKDIHM-MGPUTAFESA-N 430.470 5.671 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1csc(C2CC2)n1 920363339 YUFNWZQRPHQCCI-UHFFFAOYSA-N 426.954 5.303 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1sc(-c2ccc(Cl)s2)nc1C 921131782 NCDSSPNMYWEKEC-GFCCVEGCSA-N 445.953 5.193 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccoc3C(F)(F)F)cc2)CCC1 1788727204 NEITUAHIMZOIPO-UHFFFAOYSA-N 442.384 5.258 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cnc(Cl)c(Cl)c3)CCC2)cc1 1791729164 ZUAQJZKBRBCYDS-UHFFFAOYSA-N 444.362 5.330 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc(NC(C)=O)c3)cc2)CCC1 1792137517 PFEOQRBPAPIBMB-DEOSSOPVSA-N 445.563 5.161 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2sccc2Cl)n[nH]1 1819957976 OVFFDLGCMPDTMF-MRXNPFEDSA-N 434.993 5.423 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc(Cl)ccc2F)CC1 1823750602 PLDQVLHPYWLOBE-LJQANCHMSA-N 449.998 5.100 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc3ccc(C)cc3s2)CC1 1826202516 JPAAICVRPOPFPT-RXVVDRJESA-N 439.625 5.050 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3cc[nH]c23)CC1 1828828056 CQBJTWJAUGQEER-VWNXMTODSA-N 433.596 5.170 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3sccc3s2)CC1 1832030276 JYYBBXVPBHZRNH-IBGZPJMESA-N 442.650 5.390 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C23CCC(CC2)CC3)CC1 1832389337 ZRAWYJQLRRIZHO-BPJCCPMQSA-N 426.645 5.345 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2ncc(-c3ccccc3)n2C)n(C2CCCC2)c1C 10322752 NTYXIGNQOUVLDO-UHFFFAOYSA-N 433.581 5.223 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccccc2F)cc1 11170825 BHYOVSUFXIQSAI-UHFFFAOYSA-O 449.615 6.685 30 20 IKED C[C@@](C#N)(NC(=O)COC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12)C1CC1 11444084 MWKRYGXTGNRIAI-NDEPHWFRSA-N 449.510 5.020 30 20 IKED Cn1c(SCc2ccc(-c3ccccc3C#N)cc2)nnc1[C@H]1COc2ccccc2O1 22415574 SBJXXQOTZFJCMF-HSZRJFAPSA-N 440.528 5.159 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnc(-c3ccccc3Cl)s2)cc1 64935107 OMOLHRUVAMDVCO-UHFFFAOYSA-N 437.952 5.530 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(COc3ccc4ccccc4c3)o2)cc1 104860812 TVFRFNZRIQRMSZ-UHFFFAOYSA-N 440.499 5.971 30 20 IKED C[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)C(c1ccccc1)c1ccccc1 110899148 MCJKKCAIZWMZME-QFIPXVFZSA-N 439.559 5.050 30 20 IKED C[Si](C)(C)CCOCn1ccc2c(-c3cnn([C@@H](CC#N)C4CCCC4)c3)ncnc21 199782543 QHQSWYIJDFMBNE-NRFANRHFSA-N 436.636 5.252 30 20 IKED C=CCn1c(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)nnc1-c1ccccn1 216426945 QDWNLAIBYGOXIA-UHFFFAOYSA-N 435.597 5.504 30 20 IKED CCOc1ccc(S(=O)(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccc12 303382667 WKKILBGOLGNLFX-MRXNPFEDSA-N 426.563 5.434 30 20 IKED CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 303673658 XMSZVJUGVUYQLW-FPOVZHCZSA-N 448.567 5.208 30 20 IKED CC(C)(C)N1C[C@@H](c2nc(-c3cc(F)ccc3C(F)(F)F)no2)[C@H](C(F)(F)F)C1 426449528 JLATWNIDUSAMIY-DGCLKSJQSA-N 425.348 5.271 30 20 IKED C=CCC[C@@H](C(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1)c1ccccc1 427802231 CWJCWYPQXQFGES-DHIUTWEWSA-N 442.563 5.118 30 20 IKED N#Cc1ccc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)c(Cl)c1 430362904 UXSONBMPEFYUSR-UHFFFAOYSA-N 432.730 5.279 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N[C@H](CCCC#N)c3ccccc3)s2)cc1 431939237 QVSBSNTUVJFUII-XMSQKQJNSA-N 448.592 5.923 30 20 IKED C[C@@]12CCN(C(=O)Nc3ccc(OCC(F)(F)F)c(C(F)(F)F)c3)C[C@H]1C2(F)F 432947710 DRUMGRUIVGCVGR-TZMCWYRMSA-N 432.311 5.156 30 20 IKED CN(C(=O)CN[C@@H](CCCC#N)c1ccccc1)[C@H](c1ccccc1)c1ccc(F)cc1 433013073 WGALKARUUXCQQQ-AHKZPQOWSA-N 429.539 5.398 30 20 IKED COc1ccc(C#N)cc1NC(=O)N(Cc1ccc(-c2ccccc2OC)cc1)C(C)C 438180921 QFPVKHMQNZEAFN-UHFFFAOYSA-N 429.520 5.685 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1 438726291 UMGTZIWEYMMPJP-XMSQKQJNSA-N 449.551 5.018 30 20 IKED Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 439124227 PBJHTOJJVPDISP-UHFFFAOYSA-N 435.867 5.454 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@@H](CCC#N)c1ccccc1 439657948 IRLGYDSWQINQAH-IBGZPJMESA-N 425.941 5.459 30 20 IKED CCN(Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 443567958 DXDGNTLSERDGPQ-UHFFFAOYSA-N 438.531 5.867 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c2ccccc21 443905874 YBCLGUDEORAHJD-UHFFFAOYSA-N 429.549 5.407 30 20 IKED Cc1ccc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)c(OC[C@@H]2CCOC2)c1 447054974 CKVAJYSHBAVTNL-RTBURBONSA-N 439.581 5.126 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CC[C@@H](COCc4ccccc4)C3)cc2)cc1 460522797 NCNQHUBVXWZJHJ-HSZRJFAPSA-N 426.516 5.224 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCc2[nH]c3ccccc3c2C1 460923953 DTOOJPUBVQUVCL-KRWDZBQOSA-N 431.515 5.177 30 20 IKED Cc1ccc([C@@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)cc1 461673638 WDSYJTLSUMMTCY-RPWUZVMVSA-N 427.552 5.036 30 20 IKED CCN(C(=O)[C@H](C)c1cccc(C#N)c1)[C@@H](c1cccnc1)c1csc2ccccc12 463779567 UOCLABDBXRSISS-CJAUYULYSA-N 425.557 5.910 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1nc(O)c2sccc2n1 467154626 ZCNKTMINRKPGFJ-UHFFFAOYSA-N 445.504 5.033 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@H]2CCCc3sccc32)c1 468730504 VWGABUDKAYNTGI-FQEVSTJZSA-N 447.585 5.158 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@H]3CCC[C@H]3Cc3ccccc3[N+](=O)[O-])ccc21 469362391 YQKYOTCTEFORQH-AVRDEDQJSA-N 432.524 5.001 30 20 IKED COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 470378986 HWQQXNNTGVEOBE-OAHLLOKOSA-N 440.883 5.050 30 20 IKED CSc1ccccc1CN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 471283857 RYKPBGFTDBEMQE-UHFFFAOYSA-N 431.561 5.832 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 475554247 HTKBINGBBDBGOR-NRFANRHFSA-N 435.616 6.116 30 20 IKED CCc1c(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cnn1C1CCCC1 475819609 GIMJSTQVTMNPEO-DEOSSOPVSA-N 428.536 5.134 30 20 IKED N#CC[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1I)c1ccccc1 476047141 BNORBHCOLXRVTK-FXAWDEMLSA-N 444.316 5.042 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)n2)cc1 477790848 LTBGWPNUMIJRBI-XMMPIXPASA-N 449.535 6.467 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc2cc(F)cc(Cl)c2o1 479495230 FZBPZRSZPSKLJF-LLVKDONJSA-N 435.933 5.745 30 20 IKED C=C(C)[C@@H](NC(=O)Nc1ccccc1CN1C[C@H](C)O[C@H](C)C1)c1ccc(F)c(F)c1 480358048 YGZNRVMOUCZMNJ-SAHWJRBASA-N 429.511 5.013 30 20 IKED C=C(C)[C@H](N[C@@H](C)c1nc(O)c2c3c(sc2n1)C[C@H](C)CC3)c1ccc(F)c(F)c1 481589038 XUWPBGAURAUBQP-UVARLRKDSA-N 429.536 5.768 30 20 IKED CN(Cc1ccoc1)C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482331760 KNPXYHAWNXKVKJ-CYBMUJFWSA-N 448.285 5.762 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)NC[C@H](Cc1ccc(Cl)cc1Cl)C(C)C 482718593 BQZKIPCWDMUWGX-KRWDZBQOSA-N 448.394 5.146 30 20 IKED COC(=O)c1cc(C(C)(C)C)sc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 483022551 MMCWTKOEFALXSH-UHFFFAOYSA-N 435.505 5.143 30 20 IKED C[C@H]1CN(c2ccccc2NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](C)O1 483403619 HLFSJZKRDUUDJW-OALUTQOASA-N 427.504 5.216 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 483858707 MHRCOHHLJIGKNJ-HXUWFJFHSA-N 431.458 6.101 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)c2)cc1 484915552 HHLHBSDHVMJVIN-UHFFFAOYSA-N 445.950 5.398 30 20 IKED N#CCCN(C(=O)c1csc(-c2c(F)cccc2F)n1)C12CC3CC(CC(C3)C1)C2 486561952 OTLWYXQARRIIQB-UHFFFAOYSA-N 427.520 5.413 30 20 IKED N#CCCN(C(=O)c1ccc(C(=O)Nc2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 486587533 BSPUMNAIDJIPTI-UHFFFAOYSA-N 427.548 5.264 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3C[C@H]3c3ccccc3C(F)(F)F)s2)cc1 487383810 DNIJJPFFHMPTJX-ZWKOTPCHSA-N 427.451 5.367 30 20 IKED N#CCCC[C@@H](NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1)c1ccccc1 487604124 NXMARNNCAQBBHT-LJQANCHMSA-N 444.318 5.725 30 20 IKED CCNC(=O)Nc1ccc(C)c(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 487682039 YJLTVUCOIHSPTN-UHFFFAOYSA-N 448.910 5.706 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2cc(OC)c(C(C)C)c(OC)c2)cc1 490397705 JJVRRIBSBBJYHB-UHFFFAOYSA-N 437.540 5.285 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3cccc(Oc4ccncc4)c3)s2)cc1 492492814 XDOFRWXZQXEISZ-UHFFFAOYSA-N 445.529 5.142 30 20 IKED FC(F)Oc1ccccc1[C@@H](NCc1ccc(OCC(F)(F)F)nc1)C(F)(F)F 492599815 DYACKGOGRZCDCI-CQSZACIVSA-N 430.295 5.017 30 20 IKED C[C@@H](Nc1ccc(Oc2ccccc2Br)c(Cl)c1)C(=O)N(C)CCC#N 495469304 FBUDBTCWGXBDEH-CYBMUJFWSA-N 436.737 5.067 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(N3CCCC3)nc2)cc1Cl 499590808 MVHJVUMYVXQKIC-QFIPXVFZSA-N 445.954 5.312 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)CCc3cnn(-c4ccccc4)c3)c2)cc1 501426046 SWHOBSHOWPVXTA-UHFFFAOYSA-N 436.515 5.089 30 20 IKED C[C@@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1ccc(-c2cccc(C#N)c2)cc1 501876944 YKANBFZCQIQEIS-GOSISDBHSA-N 428.492 5.079 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1ccc(NC2CCOCC2)cc1 502620770 QXZRUOZWUZFVGN-UHFFFAOYSA-N 442.519 5.894 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(-c2csnn2)cc1 502654651 WSBPYIIMBYTEJT-UHFFFAOYSA-N 447.333 5.327 30 20 IKED N#C[C@H](NC(=O)CSCc1cc(-c2cccs2)on1)c1c(Cl)cccc1Cl 505505380 GCWCOVHGJNVUJO-AWEZNQCLSA-N 438.361 5.324 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)Cc2csc(Cc3ccccc3)n2)cc1 507907908 IYHXBLYWHUCZDS-UHFFFAOYSA-N 425.513 5.579 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H](c3ccccc3C)C2)cc1 508290956 UFUHTICTIFOGEF-HXUWFJFHSA-N 427.504 5.689 30 20 IKED C=CCn1c(SCc2nc(CCC(=C)C)no2)nnc1-c1ccc(Cl)cc1Cl 508645664 OBYWJVVQNAIEDW-UHFFFAOYSA-N 436.368 5.622 30 20 IKED C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCC(n2cc(Cl)cn2)CC1 508900398 AZXZIVYOFDFQHY-UHFFFAOYSA-N 437.762 5.129 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2nc(-c3cccs3)cs2)n1 512160286 WPQYWBGFHUJBHG-UHFFFAOYSA-N 440.497 5.196 30 20 IKED Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)cc2)n1 516230358 ZCSGNIIKBWPSKM-UHFFFAOYSA-N 436.515 5.643 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccnn2Cc2ccc(F)cc2)cc1 518537761 HGMDLRPDRCBHMM-UHFFFAOYSA-N 430.414 5.126 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccccc2C(F)(F)F)cc1 518754126 LPSFRNNXIKHTIQ-UHFFFAOYSA-N 426.463 5.799 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 520286938 QDAPKUYCQCXUAA-RUZDIDTESA-N 431.486 5.518 30 20 IKED N#Cc1ccnc(N2CCN(C(=O)Nc3ccc(Sc4ccccc4Cl)cc3)CC2)c1 521324625 DHEHIWVSORVPKK-UHFFFAOYSA-N 449.967 5.112 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](n3cc(Cl)cn3)C2)cc1Cl 521695277 OERVVMLDQQCNSH-ICSRJNTNSA-N 440.334 5.324 30 20 IKED Cc1nc2cc(F)cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)c2nc1C 524461360 VJUMJEUSWFWRRX-UHFFFAOYSA-N 444.441 5.228 30 20 IKED N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1ccc(Cl)c(Cl)c1 525458548 LFJAZXRRMNJOHX-ZENOOKHLSA-N 429.225 5.377 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2coc(-c3ccccc3)n2)c1 525567268 DRNXMRLUQDVHOU-UHFFFAOYSA-N 429.863 5.589 30 20 IKED COc1ccc(-n2c(SCc3nnc(-c4cccc(C#N)c4)o3)nc3ccccc32)cc1 525622339 BBUZNDUOXLVEOG-UHFFFAOYSA-N 439.500 5.248 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(c2c[nH]c3ccccc23)CC1 532899495 CLKGHWZLLZDXED-GOSISDBHSA-N 432.593 5.380 30 20 IKED C=CCN(C(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 533195498 YMLJQGYNSPXLMK-SNTCSEMISA-N 441.528 5.546 30 20 IKED C[C@@H](c1ccccc1Br)N(C)C(=O)Nc1ccccc1SC[C@H](C)C#N 533568201 QIYLLHJWJXFUKM-CABCVRRESA-N 432.387 5.926 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1(c2ccc(F)cc2F)CCOCC1 535531144 YJYMSQKAEASJFG-UHFFFAOYSA-N 448.469 5.624 30 20 IKED CN(Cc1ccc(Cl)c(F)c1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 535674382 GEGVJPPJIPGVMD-UHFFFAOYSA-N 436.874 5.267 30 20 IKED O=C(CC1CCC(C(F)(F)F)CC1)Nc1cccc(COCC(F)(F)C(F)F)c1 544020275 XBSRZGCZTLMKKF-UHFFFAOYSA-N 429.376 5.801 30 20 IKED N#Cc1ccc(Oc2ccc(-c3nc(-c4cnc(Oc5ccccc5)cn4)no3)cc2)nc1 545809822 HOMOEYLWCKDHEJ-UHFFFAOYSA-N 434.415 5.045 30 20 IKED C=C(C)Cn1c(C2CCCC2)nnc1N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 555256930 YMAQAXBXJYIKDC-IBGZPJMESA-N 436.535 5.085 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cc2ccccc2s1 557738074 HGUALDWTFIFRTM-MRXNPFEDSA-N 441.512 5.381 30 20 IKED CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)NCc1ccc(F)cc1C(F)(F)F 557779182 XCCMXSJEVRSLFU-UHFFFAOYSA-N 438.343 5.127 30 20 IKED Cn1c(C2CC2)nc2cc(CNC(=O)c3ccccc3Sc3ccccc3C#N)ccc21 559275908 MDPFCIOUBIGXED-UHFFFAOYSA-N 438.556 5.404 30 20 IKED CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 566394483 XKKXUUOZTLFAFS-LJQANCHMSA-N 444.514 5.137 30 20 IKED COCCOc1cncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 568487399 RXRLKWOWLUPOGQ-INIZCTEOSA-N 448.331 5.027 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 603619059 JEMAQVZUKMDPFR-UHFFFAOYSA-N 436.943 5.269 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CSCc3coc(-c4ccccc4)n3)cn2)c1 603756576 ZZPPZHZGVPRGED-UHFFFAOYSA-N 442.500 5.272 30 20 IKED C[C@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604153121 FAWLZMSVWSRWBC-MRXNPFEDSA-N 433.895 5.162 30 20 IKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604456736 UMZABJWDKSKKEY-UHFFFAOYSA-N 433.533 5.957 30 20 IKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604522885 PNBOJPIRMFTYOK-SQJMNOBHSA-N 442.519 5.377 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(Oc2ccc(C)nn2)cc1 607558489 CSHJWDWEDYQZQL-UHFFFAOYSA-N 429.398 5.413 30 20 IKED O=C(Nc1ccc(CC(F)(F)F)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 608320415 HSTUROBMIBTMCJ-PJXYFTJBSA-N 436.318 5.822 30 20 IKED CC(C)(NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(Cl)c(Cl)c1 609156914 PTPBFWQAVNSOEW-UHFFFAOYSA-N 432.351 5.072 30 20 IKED C=C(C)CN1CCC(NC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 609266625 PZXQJCNNWPNUJN-DEOSSOPVSA-N 429.029 5.319 30 20 IKED Cc1nc(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)[nH]c1Cc1ccccc1 609369294 AJTFWRNPBPGJJP-INIZCTEOSA-N 436.606 5.434 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 609427592 NKPVCGMMUBLNBA-IAGOWNOFSA-N 436.606 5.546 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1 609430623 PXSMANNFZXEARN-MRXNPFEDSA-N 431.517 5.224 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cc2)nc1 609500560 VPQOAMOGGBBJRX-UHFFFAOYSA-N 433.427 5.057 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC(Oc4ccc(F)cc4F)CC3)cc2)cc1 609500921 QFKWQXWOVOBSFS-UHFFFAOYSA-N 448.469 5.507 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccccc2OC[C@@H]2CCCCO2)CC1 609553102 OQVSVLOYSGAREY-HRTMPFAESA-N 449.551 5.018 30 20 IKED Cc1cn(-c2ccccc2)nc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 609723939 ODTYQFVOANUBAD-UHFFFAOYSA-N 428.879 5.750 30 20 IKED CN1CCC[C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@@H]1c1cccs1 610320042 OHYGNWLJIDIXGV-WZONZLPQSA-N 447.564 5.012 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 610683144 SREDAEGCFSMHQN-OAQYLSRUSA-N 437.499 5.820 30 20 IKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)N1CCC[C@](C)(C#N)C1 612302306 QJPXLQANWLBTAC-JOCHJYFZSA-N 444.457 5.424 30 20 IKED N#Cc1cccc(-c2cc(C(=O)N3CCC(c4nc(-c5ccccc5)cs4)CC3)on2)c1 619113710 ZUDPKPQCPSXXML-UHFFFAOYSA-N 440.528 5.357 30 20 IKED CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 619429678 XMKVIULLXQWOOQ-LOSJGSFVSA-N 432.564 5.050 30 20 IKED CCCN(Cc1ccc(F)cc1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 622093020 STGZQXXEKZGDRM-KBPBESRZSA-N 428.392 5.657 30 20 IKED O=C(N[C@H](c1ccccc1F)C1CCCC1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674892365 VOLWWHBKLHAILJ-FMKPAKJESA-N 426.376 5.439 30 20 IKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)n[nH]2)cc1 675908550 RMANXJOTZIRUEH-CQSZACIVSA-N 442.422 5.204 30 20 IKED O=C(Nc1ccc(Oc2ccccc2F)nc1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 683804019 FSJYZOLSHVRCAU-TXEJJXNPSA-N 437.315 5.218 30 20 IKED C=CCSc1ccccc1NC(=O)COC(=O)c1csc(-c2c(F)cccc2F)n1 726217543 CNZYGNFSKXQSDN-UHFFFAOYSA-N 446.500 5.162 30 20 IKED Cc1ccc2c(CC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)c[nH]c2c1 726322358 SKKYLHFBOZRUPD-KRWDZBQOSA-N 440.355 6.326 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2ccc(OC(F)F)cc2)cs1 726427357 VXODVVPTSJYZKC-UHFFFAOYSA-N 436.871 5.529 30 20 IKED O=C(/C=C/c1ccccc1OCc1ccccn1)c1ccccc1I 727780618 QJRSKBAKYHOUNT-OUKQBFOZSA-N 441.268 5.161 30 20 IKED N#CCOc1ccc(CNC(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)cc1 727935440 QULAONWXSLPGIP-UHFFFAOYSA-N 437.446 5.103 30 20 IKED Cc1cc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c(C)n1-c1ccc(C#N)cc1 728268693 UREMHCNEMVNNQP-UHFFFAOYSA-N 440.547 5.234 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)Nc1cccc2ncccc12 728300204 ZJEGNGNNYDOLKX-QGZVFWFLSA-N 440.478 5.264 30 20 IKED COc1ccc(/C=C/C(=O)c2sc(-c3ccccc3Br)nc2C)cc1O 730148901 PDRKUYWWSYPBIT-VQHVLOKHSA-N 430.323 5.491 30 20 IKED C[C@@H]1CN(c2ccc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)cc2)C[C@@H](C)O1 730176854 BGKXSJJJUVUNNE-QZTJIDSGSA-N 445.494 5.356 30 20 IKED C=CCN1C(=O)N[C@H](c2cnc(-c3ccccc3)s2)C(C(=O)Nc2ccc(F)cc2)=C1C 731423664 VEEGBSYZBLMGKR-OAQYLSRUSA-N 448.523 5.114 30 20 IKED Cc1ccc(-c2noc([C@@H](C)OC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)n2)cc1F 732398209 AMWQXMWETBEQRW-OAHLLOKOSA-N 444.422 5.161 30 20 IKED Cc1cc(=O)oc2cc(OC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)c(Cl)cc12 732496141 OCKYBSDMRYQUJR-UHFFFAOYSA-N 432.819 5.033 30 20 IKED C[C@@H](Oc1ccccc1Br)C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 732901130 JSPWJHKUJPBVGG-HIFRSBDPSA-N 427.323 5.216 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)ccc1OC 733617835 MUQVGIPVVFLVKQ-OAQYLSRUSA-N 445.519 5.799 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCSCc2cccc3ccccc23)c1 733801439 IWBKAWDDIFDXJH-QFIPXVFZSA-N 433.577 5.253 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccccc2)Cc2ccccc2F)c1 733851620 FKPCOIRGHPSGAS-QHCPKHFHSA-N 431.511 5.419 30 20 IKED Cc1ccc(N(CCC#N)C(=O)CSc2nc(-c3ccccc3)ccc2C#N)cc1C 733902790 KRVMSKRNPQYFPY-UHFFFAOYSA-N 426.545 5.276 30 20 IKED CC(C)[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1Cl 734695986 LYJJCILBNFLFJA-VWNXMTODSA-N 445.950 5.447 30 20 IKED C[C@H]1COCCN1c1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 737729320 YGEQRHPZLZFSMF-KRWDZBQOSA-N 447.922 5.481 30 20 IKED C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 739155301 PBNJRAIUOSCHRN-ABAIWWIYSA-N 443.252 5.538 30 20 IKED CCN(CC)c1ccc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)cc1F 739400718 QZHHXOFWBMQFLK-UHFFFAOYSA-N 434.540 5.301 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N(Cc3ccccc3)CC3CCOCC3)c2)s1 740483319 QVAHVXPVDPULEQ-UHFFFAOYSA-N 445.588 5.425 30 20 IKED CCOc1c(Br)cc(/C=C\C(=O)c2cccc(-c3ccncc3)c2)cc1OC 741472442 IOFVYBHMDDLRHI-FPLPWBNLSA-N 438.321 5.815 30 20 IKED Cc1ccc([C@@H](O)CNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)o1 743220861 NVFGKAOXIJGSCM-SFHVURJKSA-N 445.397 5.126 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc(Br)cs1 743450174 XVTMUFUHRIYDPW-HNNXBMFYSA-N 441.306 5.264 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@H](OC(=O)CCc1ccc(C#N)cc1)C(F)(F)F 746435298 AZJWGKRQEQORQT-QFIPXVFZSA-N 427.426 5.140 30 20 IKED COc1ccc(CNC(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)cc1C#N 747248936 KSTPJTYTQXWYAA-HNNXBMFYSA-N 436.364 5.174 30 20 IKED COc1ccccc1NC(=O)c1cc2ccccc2cc1OC(=O)c1cc(C#N)cs1 752163337 VICPDGIGABMDPY-UHFFFAOYSA-N 428.469 5.253 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1C#N 752201410 WSAQSNUQFAWFQC-UHFFFAOYSA-N 440.459 5.237 30 20 IKED CCc1ccc(N(C(C)=O)c2nc(COC(=O)c3ccc(Cl)c(C#N)c3)cs2)cc1 754907273 GYBKTMPGJRBZSU-UHFFFAOYSA-N 439.924 5.272 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CC(=O)Nc1cccc(C#Cc2ccccn2)c1 755449628 WNUSXTPCUSZWNY-UHFFFAOYSA-N 427.504 5.010 30 20 IKED C#CC[C@H](NC(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccccc1 757621510 ISJUJJJEZINNQQ-CLOONOSVSA-N 443.522 5.132 30 20 IKED O=C1/C(=C\c2nc(Cl)cs2)CN(c2ccccc2)C/C1=C\c1nc(Cl)cs1 759077133 QYZQAYDPIAGPGC-VOFKWTQNSA-N 434.373 5.463 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1sc(-c2ccccc2)nc1C(F)F 762023694 GGSAJTSLSGZNGN-QGZVFWFLSA-N 447.466 5.862 30 20 IKED CC(=O)N(c1nc(/C=C2/C(=O)c3cccc4c3[C@H]2CCC4)cs1)c1ccc(F)cc1F 763291300 VYZZZVUJJCVMKE-WAKXPGHKSA-N 436.483 5.806 30 20 IKED C#Cc1cccc(NC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)Cl)c1 764653552 HKHSKFKOKRZZAQ-UHFFFAOYSA-N 439.771 5.413 30 20 IKED C[C@@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 767965400 NKFOEZVVDFYMQS-DVECYGJZSA-N 445.563 5.076 30 20 IKED Cc1ccc([C@@](O)(CC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C(F)(F)F)o1 773357155 SYPJANAKDFBEFG-NRFANRHFSA-N 430.382 5.031 30 20 IKED CCCC[C@H](ON=C(C)C)C(=O)N1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 773671440 XHJUMQWNJHLYCV-GCJKJVERSA-N 443.613 5.496 30 20 IKED Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 783306983 SRAOCZOZPKFAKO-UHFFFAOYSA-N 447.922 5.575 30 20 IKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N 784396966 DKZGNYBHCRUTBY-OALUTQOASA-N 443.503 5.003 30 20 IKED C[C@@H](CN(C)C(=S)Nc1ccc(C#N)c(Cl)c1)Oc1ccc(Cl)c(Cl)c1 787198590 OWDOWYTUQXSRRT-NSHDSACASA-N 428.772 5.615 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)ccc21 793594778 ODEFNHOYGFTXNS-UPVQGACJSA-N 445.563 5.286 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H]2CCCc3cc(Br)ccc32)ccc1OC 794812003 VCKMWNHZXUPBIQ-UYAOXDASSA-N 429.358 5.306 30 20 IKED N#Cc1cc(NC(=O)c2ccccc2CSC2=NCCS2)ccc1OC(F)(F)F 799771766 FJZCPUOONRQXFK-UHFFFAOYSA-N 437.468 5.045 30 20 IKED C=CCn1c(=S)n(CN2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)c2ccccc21 808242054 QCCYADMHZCQXGJ-INIZCTEOSA-N 437.491 5.031 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2csc(C(C)C)n2)cs1 812243696 RWOQEPPLVROVKI-TWGQIWQCSA-N 431.970 5.957 30 20 IKED C=C(C)[C@H](NC(=O)N1CCC([C@H](O)c2ccc(OCC)cc2)CC1)c1ccc(F)c(F)c1 812901730 BEHGFVPWZZDRLJ-BJKOFHAPSA-N 444.522 5.136 30 20 IKED CC[C@H](Cc1cccc(Br)c1)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813217590 NKKCAFVYDVANQF-CJNGLKHVSA-N 425.248 5.308 30 20 IKED C[C@H](N[C@@H](C)c1ccc(N2CCCOC2=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 815615052 GXLZXWDVFPWRCO-PMACEKPBSA-N 425.532 5.984 30 20 IKED C=CCOc1ccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(OC)cc3)s2)cc1 912963342 HGADEBNAFNCKSL-QGOAFFKASA-N 427.913 5.101 30 20 IKED C=CCn1c(SCC(=O)Oc2cccc3ncccc23)nnc1-c1ccc(Cl)cc1 915162117 FBLMQFGZYGVLQN-UHFFFAOYSA-N 436.924 5.030 30 20 IKED CN(C)[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1Cl 915353420 SZBPPLOUHSUMST-ISKFKSNPSA-N 432.955 5.420 30 20 IKED N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 916893907 KOXJKXRTMVZVFU-OAQYLSRUSA-N 426.969 5.404 30 20 IKED N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 916895759 RQLNHILPJPPGOE-LJQANCHMSA-N 449.601 5.360 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12 916916613 XVHZSNPBRQQKIB-IBGZPJMESA-N 445.931 5.886 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(OCc3cccs3)c2)cc1 916949487 OQJNIAJKDQSTKH-UZUQRXQVSA-N 432.545 5.802 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 916953761 DQEHEEPTJCSWCN-KKSFZXQISA-N 443.551 5.364 30 20 IKED N#C[C@H](C(=O)CCCOc1cccc(Br)c1)c1nc(-c2ccccc2)cs1 917025836 QNVDFNPZCPSDAO-GOSISDBHSA-N 441.350 5.608 30 20 IKED Cc1ccc(C(C)C)c(OCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 917044613 UBEXWEAUAUUDSC-MRXNPFEDSA-N 432.467 6.002 30 20 IKED COc1ccc(-c2cc(N[C@H](C)C(=O)NC3(C#N)CCCCC3)ccc2OC(F)F)cc1 917174845 IVFIQCCUBSVWSD-MRXNPFEDSA-N 443.494 5.107 30 20 IKED N#CCCCOc1cccc(N=Cc2cc(Br)cc(Br)c2O)c1 917559609 RDMBMXNYQWAIDI-UHFFFAOYSA-N 438.119 5.350 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3nc(-c4cccs4)oc3C)n2)cc1 920140841 CHJDWGPVUJNWOT-MRXNPFEDSA-N 435.530 5.263 30 20 IKED Cc1cc2occ(CC(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2cc1C(C)C 920142809 SRESGUMCDVHWIU-QFIPXVFZSA-N 439.540 6.279 30 20 IKED N#C[C@@H](C(=O)CCc1ccc(-c2ccccc2)o1)c1nc(-c2c(F)cccc2F)cs1 920804059 JSNXBPFYHHYEQH-KRWDZBQOSA-N 434.467 6.157 30 20 IKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc4c(Cl)cncc4s3)cc2)CCC1 1788312510 ITVIEPSFRROWEY-UHFFFAOYSA-N 438.940 5.001 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cccc4[nH]ncc34)cc2)CCC1 1788439393 GMAHRJGTGCPPEM-UHFFFAOYSA-N 428.536 5.079 30 20 IKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)c3ccncc3)CCC2)cc1)c1ccccc1 1789602565 VCALUHCPDPDNHW-VWLOTQADSA-N 437.543 5.027 30 20 IKED C#CC(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)c3ccccc3n4CC)cc2)CCC1 1790086489 WDVPTNIQTSFHFS-UHFFFAOYSA-N 435.527 5.195 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3ncccc3c2)n[nH]1 1818475132 IURLSZYJMKBOCW-JOCHJYFZSA-N 445.567 5.256 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(C)c(C)c2)[nH]n1 1819302985 PPIBCKQCQWBDNZ-GGAORHGYSA-N 434.584 5.030 30 20 IKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](c2ccccc2)C(C)C)CC1 1824533203 FEOFXKNHKAACAF-VXNXHJTFSA-N 444.685 5.000 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](F)c2ccccc2)CC1 1824854543 FCNFUQPPLVIAHQ-RPWUZVMVSA-N 426.576 5.085 30 20 IKED Cc1cscc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1827807101 PHDPNAJFDXIFHT-UUOWRZLLSA-N 449.620 5.231 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C(C)=C/c2ccc(C)o2)CC1 1828826941 OYKCHDBUOMTNPZ-PDJRJVIOSA-N 438.612 5.379 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc(C)cc(F)c2)CC1 1828829838 ISUNSEOSORFWRR-RPBOFIJWSA-N 440.603 5.065 30 20 IKED Cc1cccc(Cl)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1 1830016903 NSLAEMSLTCWXIM-HSZRJFAPSA-N 449.982 5.067 30 20 IKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2cccc([N+](=O)[O-])c2)[n+]2ccccc2)c(Cl)c1 15248294 GLQITMAGBCZUNF-UHFFFAOYSA-O 440.932 5.203 30 20 IKED C=CCn1c(SCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)nnc1-c1cccnc1 18405678 FSDOHSPRHAZPLN-UHFFFAOYSA-N 447.539 5.048 30 20 IKED CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)[C@H](C)Oc2ccccc2C#N)c1 29981637 OJSMZBSIWAJAAA-PMACEKPBSA-N 441.531 5.074 30 20 IKED N#Cc1c(NC(=O)CCN(Cc2ccccc2C(F)(F)F)C2CC2)sc2c1CCC2 63508588 XCTIAWZNWBRLMZ-UHFFFAOYSA-N 433.499 5.120 30 20 IKED CC(C)(Oc1ccc(Cl)cc1)/C(O)=N/c1ncn(Cc2ccc(Br)cc2)n1 64463993 SKAQICJUZGYEBC-UHFFFAOYSA-N 449.736 5.188 30 20 IKED Cc1sc2nc(/C(Cl)=C\c3ccc(O[C@H](C)C#N)cc3)[nH]c(=O)c2c1-c1ccccc1 110657550 JTKZXELYPMOSDM-ONDHQXCVSA-N 447.947 5.988 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1nc(N)c2c(C)c(C)sc2n1 110966987 NOUUUPRENREUFX-OAHLLOKOSA-N 436.610 5.112 30 20 IKED C=CCc1cc(CN[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc(OC)c1O 237424271 CSAXFEOMJSIALQ-QHCPKHFHSA-N 431.511 5.149 30 20 IKED Cc1ccc([C@@H](Nc2ccc3cc(C#N)ccc3n2)c2cccc(S(C)(=O)=O)c2)cc1 301977964 NLVWGHBMGJBALT-RUZDIDTESA-N 427.529 5.020 30 20 IKED CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)CSc2ccc(C#N)cc2)c1 303125126 AAUJMQFTGZNEPS-IBGZPJMESA-N 443.572 5.399 30 20 IKED C=CCn1c(-c2sc(NC(=O)[C@@H](CC)Sc3ccccc3)nc2C)n[nH]c1=S 303525047 QPEGNNNBPHTLAF-CQSZACIVSA-N 431.612 5.068 30 20 IKED C=CCN(C(=O)c1cc(Cl)ncc1Br)c1nc(-c2ccccc2)cs1 327684985 GGETZFAMFBIBBO-UHFFFAOYSA-N 434.746 5.454 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)c1 431137557 KRALYFGUTUPSFW-OAQYLSRUSA-N 445.332 5.373 30 20 IKED N#CCCC[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F)c1ccccc1 431301061 SSBNPVPFHHKPNF-QGZVFWFLSA-N 442.293 5.829 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1 431811689 RNFYSNCJOLEWQW-QGZVFWFLSA-N 425.838 5.015 30 20 IKED N#CCCC[C@H](NC(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1)c1ccccc1 432667109 FWKCYVZODIJOTE-QHCPKHFHSA-N 443.503 5.551 30 20 IKED C[C@]12CCN(C(=O)Nc3cc(C(F)(F)F)ccc3SCC(F)(F)F)C[C@H]1C2(F)F 432967697 ZTKQGYNJLGOSNV-OCCSQVGLSA-N 448.379 5.869 30 20 IKED Cc1cccc(CN(Cc2cccc(C)n2)C(=O)Nc2cccc(C#Cc3ccccn3)c2)n1 435134326 WKUDJUUPYAVWKS-UHFFFAOYSA-N 447.542 5.123 30 20 IKED CCn1ccnc1[C@H]1CCCCN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 435999238 YPIILYHEDNBBOC-OAQYLSRUSA-N 434.927 5.588 30 20 IKED C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCN1Cc1ccccc1 437832945 AAAYYKAIPIRYFK-NRFANRHFSA-N 440.547 5.479 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N(C)c1ccc(C(F)(F)F)cc1Cl 439120507 RNGBPFRPQOSNRC-UHFFFAOYSA-N 426.822 5.061 30 20 IKED CCSCc1cccc(NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 441161885 ZHAHJLCFYSYCMU-UHFFFAOYSA-N 431.517 5.181 30 20 IKED Cc1cccc(NC(=O)C(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1C#N 441698641 YYHRWDPSALKTTB-UHFFFAOYSA-N 438.314 5.018 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccc(C(=O)NC)c(Cl)c1)c1ccc(C(F)(F)F)cc1 442228734 XYHNCSYTPNQSJZ-SFHVURJKSA-N 439.865 5.547 30 20 IKED COc1cc(CCC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)ccc1OCC(F)(F)F 443885319 ZJCSRJPNBNREHU-UHFFFAOYSA-N 446.347 5.098 30 20 IKED CCc1c(NC(=O)c2cn(CCCC#N)c3ccccc23)cnn1-c1ccc(Cl)cc1 444408487 AQOFLCJZPYVQPY-UHFFFAOYSA-N 431.927 5.599 30 20 IKED C[C@H](NC(=O)Cc1noc(-c2cccc(SCC#N)c2)n1)c1ccc(Cl)cc1Cl 445757697 HCEDAZGXQURTTB-LBPRGKRZSA-N 447.347 5.079 30 20 IKED Cc1ccc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)c(OCC(F)(F)F)c1 446855853 KJVBKBHFOWPYCU-HNNXBMFYSA-N 437.487 5.510 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CCCC[C@H](COC)C1 460939370 VZBKNPVGAVTDFJ-QFIPXVFZSA-N 446.595 5.353 30 20 IKED N#Cc1cccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2Cc2cccs2)c1 461485211 HHZNYBNOKOWYIE-UHFFFAOYSA-N 431.487 5.095 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCOc3c(F)ccc(F)c32)cc1 463004997 AYOXVKNBKWTNPB-HXUWFJFHSA-N 436.483 5.382 30 20 IKED CC[C@@H](NC(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F)c1nc(C(F)(F)F)cs1 465987862 VNVFGUINVRGJAI-ZYHUDNBSSA-N 429.361 5.355 30 20 IKED N#CCc1ccc(NC(=O)N[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1 466394443 DVSIRCCIXXMTSA-HSZRJFAPSA-N 433.895 5.088 30 20 IKED C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(=O)Nc1ccc(Cl)cc1Cl 469182219 JKNZJFMRCUXBNP-AWEZNQCLSA-N 445.350 5.015 30 20 IKED CC(C)(C#N)c1ccc(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)cc1 475895101 BZBHIJKCUMFWSJ-UHFFFAOYSA-N 427.327 5.021 30 20 IKED CC(C)(C#N)CCCSc1nnc(CN2CCCCC2)n1-c1ccc(OC(F)F)cc1 476469786 IBRYPLUWUBUHQS-UHFFFAOYSA-N 449.571 5.277 30 20 IKED COc1ccc(COCc2cccc(NCc3cn(C)nc3-c3ccc(C#N)cc3)c2)cc1 478321958 AZKCJJDAYOSSCD-UHFFFAOYSA-N 438.531 5.296 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NCC3CCN(Cc4cccs4)CC3)c2)cc1 486014355 HSQZZECUWXNHAL-UHFFFAOYSA-N 431.561 5.054 30 20 IKED C=CCC[C@H](NC(=O)C1CCC(OC[C@@H]2CCCO2)CC1)c1ccc(C(F)(F)F)cc1 486781207 STZKFNYXIDEHCW-QJWFJBDNSA-N 439.518 5.583 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc2cc(Br)cnc12 486848675 WYQCLTKVSULUOV-AZUAARDMSA-N 435.325 5.301 30 20 IKED N#CCCC[C@@H](NC(=O)CCCC(=O)c1ccc(Br)cc1)c1ccccc1 487429516 NVONXUJNTYZVIK-HXUWFJFHSA-N 427.342 5.353 30 20 IKED N#CCCC[C@@H](NC(=O)CCOc1ccc(Cl)cc1Br)c1ccccc1 487468516 DNVQSSZNFGPHHQ-GOSISDBHSA-N 435.749 5.423 30 20 IKED C=CCn1c(SCc2ccc(Oc3ccccc3F)c(F)c2)nnc1-c1cnccn1 488933924 QCGSSQWXVKHHHX-UHFFFAOYSA-N 437.475 5.284 30 20 IKED COc1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)ccc1N1CCCC1=O 495161790 LAVVEBZCFUBDCM-UHFFFAOYSA-N 443.528 5.097 30 20 IKED C=C(C)[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F)c1ccc(F)c(F)c1 499561082 AEJNJQXXWPYDCC-MRXNPFEDSA-N 432.776 5.009 30 20 IKED C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C1 500372781 WQJYYDZBSJTMBH-XEHJXZTKSA-N 438.955 5.406 30 20 IKED C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(c2nc3ccccc3[nH]2)CC1 508489814 OUWTVHCFWMCQFU-QGZVFWFLSA-N 446.530 5.004 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccccc4Cl)C3)cc2)cc1 509223775 HFIHGBVKKXNDJS-QHCPKHFHSA-N 433.895 5.609 30 20 IKED Cc1c(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)sc2ccc(Br)cc12 509658350 ONHUDRVJSGSIQE-FXAWDEMLSA-N 433.371 5.040 30 20 IKED C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510209809 LDGKVCYMVPFPTD-LBPRGKRZSA-N 445.520 5.205 30 20 IKED C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H]1CCCN(C2CCC2)C1 511246415 CPCJSRSYLODPNP-REWPJTCUSA-N 446.595 5.106 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(c3ccccc3)CC2)cc1Cl 511589808 CHNOQOGPOMPPBK-XMMPIXPASA-N 444.966 5.740 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 511832070 MQMJMUCMSAOTQI-OAQYLSRUSA-N 449.476 5.248 30 20 IKED CC(C)(C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1cc(F)cc(C#N)c1 512713899 IXRLXNQXBSTVNU-PMERELPUSA-N 426.557 5.195 30 20 IKED CN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H]1CCc2ccccc2C1 512719826 FXIWSIVAPSFRIA-DEOSSOPVSA-N 425.532 5.353 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)C[C@@H]2OCCc3ccccc32)cc1 513866059 NJSSKOIGGJHJSE-VWLOTQADSA-N 443.503 5.137 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3C[C@H](c4ccccc4)[C@@H]4COCC[C@H]43)cc2)c1 515157962 UCVQUKRYZRZWAQ-UODIDJSMSA-N 439.515 5.387 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)c(C(F)(F)F)c1 517461399 HLYIJAZZBIBRRS-UHFFFAOYSA-N 436.352 6.121 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(C)CCc1ccc(Br)cc1 518164853 GHWOHCLJIMMGRC-OAHLLOKOSA-N 432.387 5.407 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 518739010 JWHDKZZCNFYNDU-AWEZNQCLSA-N 437.546 5.228 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccc(C)cc1)c1ccc(OC)cc1 519879497 UFNULDBGIUGKSP-VWLOTQADSA-N 445.519 5.399 30 20 IKED C[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nc(-c2ccncc2)cs1 520349686 LEWRWUMFXSHWCW-MRXNPFEDSA-N 426.501 5.360 30 20 IKED CCCOc1c(Br)cc(C(=O)Nc2ccccc2SCCC#N)cc1OC 520806750 NGWCBTVERPIMSD-UHFFFAOYSA-N 449.370 5.505 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCCc4cc(Br)ccc43)cc2)nc1 521090873 YVHINMPZFZIWND-UHFFFAOYSA-N 434.293 5.101 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3CCCN(c4ccccc4)C3)cc2F)c1 522429333 QPVFEZIOKRCGKB-QFIPXVFZSA-N 444.510 5.067 30 20 IKED Cc1ccc(C[C@@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c2ccccn2)cc1 522441589 KTYXCCSMHSWJFE-HSZRJFAPSA-N 437.465 5.044 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N3CCC(c4nc5ccccc5s4)CC3)c2)cc1 523122593 KXOHFPSWYMEIOI-UHFFFAOYSA-N 438.556 5.931 30 20 IKED C[C@H](C#N)CN(C)C(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F 523367120 NSIIDYFPSONROI-GFCCVEGCSA-N 427.373 5.077 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1NC(=O)Nc1ccccc1 524999852 AEOLPLSMBBQVOV-SFHVURJKSA-N 438.409 5.543 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccc(COC3CCCC3)cc2)CC1 525315498 LTNRGDYFLFXTNS-UHFFFAOYSA-N 433.552 5.529 30 20 IKED C=C(C)[C@@H](CC(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1)OCC 534390610 FOQUUABBTFCHOX-OAQYLSRUSA-N 440.927 5.884 30 20 IKED CCc1nccn1C[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 538435807 CQLXFOUPLAODKX-IBGZPJMESA-N 449.942 5.459 30 20 IKED C[C@H](NC(=O)N1CCC(CCCn2ccnc2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 541184540 RVVRMROUKJXYIU-NRFANRHFSA-N 441.579 5.385 30 20 IKED COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1 542385597 MGARLJHIFDYBDL-VFNWGFHPSA-N 435.915 5.021 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@@H](C)C[C@H]2c2cccnc2)cc1 542672221 XCBRRHWNLAAUJS-JTSKRJEESA-N 428.492 5.369 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1csc2ccccc12)c1ccc(-c2cccc(C#N)c2)cc1 543923299 KVRLSLSPQSATGH-MRXNPFEDSA-N 425.513 5.256 30 20 IKED CN1[C@H]2CC[C@H]1CC([C@@H](NC(=O)CSc1ccc(C#N)cc1)c1ccc(Cl)cc1)C2 549029603 NCLQUPPZRJVBLU-HFMPRLQTSA-N 440.012 5.034 30 20 IKED COc1cc(CN2CCC(F)(c3cccnc3)CC2)ccc1OCc1cccc(C#N)c1 556532458 SGCKBHPLHWLBFS-UHFFFAOYSA-N 431.511 5.002 30 20 IKED C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CC[C@H](C(F)(F)F)C(C)(C)C1 566986535 HDESNKVBQHZDTF-ULQDDVLXSA-N 428.543 5.188 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C)c(OC(F)F)c(C)c3)n2)cc1 567416860 JMWJGKNSTMAIOX-QGZVFWFLSA-N 428.460 5.527 30 20 IKED Cc1cc(NC(=O)c2sc3ccc(C#N)cc3c2C)n(-c2ccc(C(F)(F)F)cn2)n1 573343556 SNBAIXDHOXEGJF-UHFFFAOYSA-N 441.438 5.242 30 20 IKED COc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1OC1CCCC1 576189697 RDBVGXRASDUVFY-INIZCTEOSA-N 425.435 5.251 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2cccc(NC(=O)c3cc(C#N)ccc3Cl)c2)c1 577022386 QFZKLZDMURQKFQ-UHFFFAOYSA-N 435.270 5.241 30 20 IKED CCOc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 578822352 FVUKLQJUUOIALG-DEOSSOPVSA-N 428.492 5.513 30 20 IKED CC(C)(CCC#N)CNC(=O)c1ccccc1SCc1ccc(Br)cc1 580256867 WISNOBSAVWZXKT-UHFFFAOYSA-N 431.399 5.801 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)[C@H](Oc2ccc(F)cc2Cl)c2ccccc2)CC1 581143504 QDMDKKSVTZEDRB-HSZRJFAPSA-N 449.913 5.078 30 20 IKED Cc1ccccc1-c1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cs1 589830386 GXBVNHDZNPMJDD-SFHVURJKSA-N 426.526 5.604 30 20 IKED N#C[C@H](C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1nc2cc(F)ccc2s1 592973853 KFYRFBHJHLDIHH-OAHLLOKOSA-N 447.413 5.071 30 20 IKED Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c2cnn(C(C)C)c2n1 603533059 OTPZRILUCOHTFP-UHFFFAOYSA-N 441.510 5.487 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N(Cc1cccs1)c1ccc(F)cc1F 603994482 UVUWVLONBXPCLP-UHFFFAOYSA-N 442.487 5.299 30 20 IKED C[C@@H]1c2ccc(F)cc2CCN1C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 606641987 GVWXJJCBDCJHIR-WXHSDQCUSA-N 426.376 5.364 30 20 IKED COc1cc(CN(C)C(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OC(F)F 609434771 PJKVZCJHQOBWTR-AWEZNQCLSA-N 435.496 5.355 30 20 IKED N#C[C@@H](NC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1)c1cccc(C(F)(F)F)c1 609460738 DWCHECDAVZWLNP-MRXNPFEDSA-N 427.304 5.080 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 609682109 ASJLHMAPGDBYGA-DOTOQJQBSA-N 448.514 5.358 30 20 IKED C[C@H](NC(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1)c1cccc(C#N)c1 610321785 BNSXGKTZBRRAAZ-INIZCTEOSA-N 438.959 5.499 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NC(=O)N[C@H]3CCc4cc(C#N)ccc43)s2)cc1 618812999 KVJGOHNDSJOLDE-BTYIYWSLSA-N 432.549 5.047 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccc(Cl)cc1 642282307 BOJSMQFSXLLDIG-OAHLLOKOSA-N 425.826 5.069 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(Br)cc2)nnc1-c1ccccc1F 645077322 WYEAKCNMPHUNSS-ZDUSSCGKSA-N 446.345 5.396 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674552970 BLWFIAXOHOJVPX-HOTGVXAUSA-N 432.389 5.352 30 20 IKED N#C[C@H](C(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1)c1cnc2ccccc2n1 682995433 VVBSWNDYNVAHSK-NRFANRHFSA-N 433.446 5.112 30 20 IKED CC(C)(C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1cccc(Br)c1 726732300 UINWDRPJJMJLAB-CQSZACIVSA-N 432.268 5.348 30 20 IKED Cc1[nH]nc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1Br 729319676 MQSOOSUNPYCLGE-OAHLLOKOSA-N 429.705 5.042 30 20 IKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1nc2cc(F)ccc2s1 730417791 QYFGGZVRBMXEJK-CQSZACIVSA-N 427.407 5.178 30 20 IKED O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(C(F)(F)F)nc1O 731564982 XAHIMQBCZNBXBB-NTMALXAHSA-N 441.434 5.616 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1OC 733229923 JBMFBCHIQNCBID-ZACQAIPSSA-N 433.335 5.103 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2csc(-c3cccc(Cl)c3)n2)ccc1OC 733230979 XIADDEQKFUVZDS-QGZVFWFLSA-N 441.940 5.083 30 20 IKED C#CCN(C(=O)Nc1cccc(SC)c1)[C@H]1CCOc2ccc(Br)cc21 733615788 XIGPYKXUMGWXCN-SFHVURJKSA-N 431.355 5.162 30 20 IKED Cc1cc2c(cc1C)C(=NNc1cc(C(F)(F)F)nc(-c3cccnc3)n1)CCCO2 733747747 RRDWJIYOYODFQI-UHFFFAOYSA-N 427.430 5.163 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)c1 733807242 SNYIAQKQDVLIQV-HXUWFJFHSA-N 434.515 5.077 30 20 IKED N#C[C@@H](C(=O)COc1ccccc1OCc1ccccc1)c1nc(-c2ccncc2)cs1 734083013 KSWXVWSDEZBEND-FQEVSTJZSA-N 441.512 5.039 30 20 IKED C=CCn1c(S[C@@H](C(=O)OC)c2ccc(C#N)cc2)nnc1-c1ccc(C(C)(C)C)cc1 741736621 NEAPQSGHPUETGC-OAQYLSRUSA-N 446.576 5.307 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc1 743472788 JRYWFJZFJJDNAE-LJQANCHMSA-N 448.954 5.370 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 743708728 ZOCOLIASIDMGCQ-MRXNPFEDSA-N 437.931 5.190 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 744029689 UDRUZPKNDMVBCO-QSJFZTKYSA-N 436.511 5.420 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccc(-c2ccncc2)cc1 745205304 VOQYSXYHXPZRIO-UHFFFAOYSA-N 434.425 5.456 30 20 IKED Cc1ccc(C)c(-n2nc(C)c(/C=C\C(=O)c3cccc(N4CCOC4=O)c3)c2Cl)c1 745626267 LPMYOTVZUGZHPG-KTKRTIGZSA-N 435.911 5.304 30 20 IKED O=C(/C=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1cccc(N2CCOC2=O)c1 745626901 UVNKUELGZDLSCV-ONNFQVAWSA-N 448.406 5.379 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)cc1 747375334 DULBXLSPZIOVJA-XPWALMASSA-N 431.333 5.847 30 20 IKED Cc1nsc(N(C)C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)c1C#N 748237632 XRJUHJPPSKGGDF-UHFFFAOYSA-N 441.969 5.021 30 20 IKED Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)N[C@@H](CCC#N)c1ccccc1 749220408 BLVOMKOURCRTHQ-VQTJNVASSA-N 427.980 5.393 30 20 IKED CC[C@H](C)Oc1cc(/C=C(\C(=O)Nc2cccnc2)C(=O)c2ccccc2)ccc1OC 749453525 SNQZRLHEPVRDOL-CEZZIEKDSA-N 430.504 5.173 30 20 IKED Cc1sc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1-c1ccc(F)cc1 756232298 AABZUQFJPCXXSQ-OAQYLSRUSA-N 428.488 5.977 30 20 IKED N#CCSc1ccccc1NC(=O)COC(=O)CCCc1cc(Cl)sc1Cl 756512036 KASGUQRKNHNHGA-UHFFFAOYSA-N 443.377 5.175 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2C)cs1)c1ccc(F)cc1F 756787326 NOCKZCXABAYPAE-CLFYSBASSA-N 443.431 5.219 30 20 IKED Cc1cn(-c2ccccc2Cl)nc1C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 766621886 BLBBYSVTVCYOID-HNNXBMFYSA-N 447.709 5.102 30 20 IKED N#Cc1ccccc1Oc1ccc(N2C(=O)N[C@H](c3cccc4ccccc34)C2=O)cc1F 772115159 XSVMBMQIVUBZOF-XMMPIXPASA-N 437.430 5.440 30 20 IKED C=CCSc1ccccc1C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 776750417 NKNVQQSLYNIXJA-UHFFFAOYSA-N 437.590 5.177 30 20 IKED C=CC[C@H](NC(=O)N[C@@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccncc1 777741986 YYLIAPVFNWOTQX-BHDDXSALSA-N 430.955 5.015 30 20 IKED COc1ccc(C=NOCc2ccc(F)cc2Br)cc1OCc1cccnc1 780288622 GMSKXUHYFHEUGH-UHFFFAOYSA-N 445.288 5.122 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 780673638 XVIZRIUDPCWFFS-GOEBONIOSA-N 434.323 5.360 30 20 IKED C[C@@H](NC(=O)[C@H](C#N)C(=O)Cc1c[nH]c2ccc(Cl)cc12)c1ccc(Cl)cc1Cl 787050031 NSKZZFHHIUIRJV-PIGZYNQJSA-N 448.737 5.257 30 20 IKED N#CCCn1cc(/C=C/C(=O)c2ccc3ccccc3c2OC(F)F)c(-c2ccncc2)n1 788348311 ARGZIBCWHRFMKG-VQHVLOKHSA-N 444.441 5.509 30 20 IKED N#C[C@H](C(=O)NCc1cccc(Cl)c1)C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1 789434465 OQANTCKKXCQDKP-INIZCTEOSA-N 446.812 5.258 30 20 IKED CC(C)(C#N)c1ccc(C(=O)Oc2ccc(Oc3ncc(Br)cn3)cc2)cc1 796992603 XPBNSTAQYKSHKO-UHFFFAOYSA-N 438.281 5.052 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)C1CCN(C(=O)OC(C)(C)C)CC1 797568045 OBVCJSRWBACLOK-NVXWUHKLSA-N 433.618 5.290 30 20 IKED C#C[C@@H](NC(=O)Nc1cccc(CSC2CCOCC2)c1)c1ccc(Cl)cc1F 806273378 WGDPNJVEJKKPAD-OAQYLSRUSA-N 432.948 5.387 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2ccc(Oc3cccnc3)cc2)c1 806808743 MGJLJNUVBOWECU-GHTZIAJQSA-N 430.508 5.115 30 20 IKED COc1ccc(C(C)=NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1NC(C)=O 814948761 DKUBXQJIZKVPEU-UHFFFAOYSA-N 433.352 5.527 30 20 IKED C=CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1 913359486 OXGIWGKZVUKEHO-LLVKDONJSA-N 428.699 5.396 30 20 IKED Cc1cccc(-c2nnc(SCC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)o2)c1 914529169 SJRDDDXSSVWKAG-KRWDZBQOSA-N 432.530 5.137 30 20 IKED CN(Cc1cccc(C#N)c1)Cn1nc(COc2ccc(Cl)cc2Cl)oc1=S 914783399 IPEANOJUKXGHDY-UHFFFAOYSA-N 435.336 5.053 30 20 IKED Cn1c([C@H](C#N)C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)nc2ccccc21 915100881 IJYJOYKZRMOYBH-OAHLLOKOSA-N 439.302 5.344 30 20 IKED N#C[C@@H](C(=O)CC[C@H]1Cc2ccccc2NC1=O)c1nc2cc(C(F)(F)F)ccc2s1 915104347 OOQOOJPHVQHUES-ZFWWWQNUSA-N 443.450 5.083 30 20 IKED C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915180249 MQAIBIMYVUNKQT-UZUQRXQVSA-N 447.535 5.180 30 20 IKED COc1cc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1OC(F)F 915353410 SPSGOXBQZFBPJD-FQEVSTJZSA-N 437.446 5.274 30 20 IKED CCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OC)cc1 916214239 LPYBMBZJBHCCEB-OAQYLSRUSA-N 439.581 5.072 30 20 IKED Cc1ccc(Cl)c(O[C@@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1 916888576 WQGDWQVCSMHKDE-SWLSCSKDSA-N 438.883 5.078 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(NC(=O)C(C)(C)C)cc2C)cc1 916914392 KWQRZNZOHUWSRJ-SFHVURJKSA-N 439.581 5.345 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccccc2OC(F)F)cs1 917561798 OEORDHRMXPBAJY-FLIBITNWSA-N 432.423 5.464 30 20 IKED CCC(CC)[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 918427270 HCQATUKTSYJNKO-FTJBHMTQSA-N 439.559 5.574 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)[C@@H](C)Sc1ccc(Br)cc1 920105707 LCRWMKNLVNEYTI-DYVFJYSZSA-N 441.350 5.311 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1 920139658 WSKAOLIXEZAIIA-UGSOOPFHSA-N 439.518 5.084 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4ccccc4)n3)n2)cc1 920142087 JYEXDNRKSSWLFZ-LJQANCHMSA-N 431.542 5.361 30 20 IKED Cc1ccc2cc(C(=O)NC3(c4ccc(NC(=O)C5(C#N)CC5)cc4)CCC3)sc2c1 1787879935 DNAPGZDADZAFOW-UHFFFAOYSA-N 429.545 5.261 30 20 IKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4cccc(F)c4s3)CCC2)cc1 1791575558 MPXOKSZQPGEHRP-CYBMUJFWSA-N 428.554 5.106 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3occc3c2)[C@H]1c1cccnc1 1810500737 VBJNCDVCJYAXBP-UPVQGACJSA-N 445.563 5.140 30 20 IKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3sccc3s2)CC1 1824959369 XZDWNJHIMXQOJW-KRWDZBQOSA-N 448.679 5.115 30 20 IKED CC(C)[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC#N)CC1)c1ccc(Cl)cc1 1826686732 PLYKHMAYDZHINB-VWNXMTODSA-N 444.019 5.003 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2Cl)CC1 1828827173 JDGLTYKUXSYKPM-NZQKXSOJSA-N 429.004 5.342 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc(Cl)c2)CC1 1828828931 AMSJGRFLIOWMFH-GOTSBHOMSA-N 446.994 5.481 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1831368032 QCVAQWFJSSEXEN-HXOBKFHXSA-N 442.003 5.267 30 20 IKED CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)COc2ccc(C#N)cc2)cc1 24649664 OLNHGIRPRPTIOF-UHFFFAOYSA-N 427.504 5.126 30 20 IKED COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2cccc(C)c2)cc1OCCCC#N 64613153 AKOPSMIYQNOAGW-VWLOTQADSA-N 427.504 5.457 30 20 IKED N#CCCSc1ccccc1NC(=O)COc1ccc2cc(Br)ccc2c1 78669071 ZHFGGQZYFXCDFX-UHFFFAOYSA-N 441.350 5.626 30 20 IKED CN(Cc1ccc(Br)o1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 97261307 RBXQJQWQPGJATM-UHFFFAOYSA-N 441.350 5.478 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN([C@H](C)c2ccccc2Cl)CC1 303393654 PGUIQMQPUDXUJJ-QZTJIDSGSA-N 443.016 5.502 30 20 IKED C[C@@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1nc(-c2ccncc2)cs1 409666818 CVWDUWFKGATWAE-QGZVFWFLSA-N 440.528 5.147 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@@H](C#N)c1nc2c(C)ccnc2[nH]1 429586587 BPSHWZHOKNUKNA-CQSZACIVSA-N 449.923 5.032 30 20 IKED Cc1cc(Br)cc(C)c1NC(=O)CCCN[C@@H](CCCC#N)c1ccccc1 433026350 PGYMAMCPMJZJRS-NRFANRHFSA-N 442.401 5.809 30 20 IKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)[C@H](C#N)CCc1ccccc1)CC2 433231624 JIVFVDBIKCYAKM-CPJSRVTESA-N 446.572 5.012 30 20 IKED N#Cc1ccccc1N1CCCN(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)CC1 438643319 TZTKGSGAWGQHFB-UHFFFAOYSA-N 447.926 5.143 30 20 IKED CCCc1c(NC(=O)N2CCCCC[C@H]2c2c(C)n[nH]c2C)cnn1-c1cccc(C#N)c1 439680412 DUSUWUYJUVDBGV-QHCPKHFHSA-N 445.571 5.186 30 20 IKED N#Cc1ccc(-c2nnc(CN(Cc3ccccc3C(F)(F)F)C3CCCC3)o2)cc1 441516753 UTXABUYFRBMRHC-UHFFFAOYSA-N 426.442 5.572 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3ccn(-c4c(F)cccc4F)n3)o2)cc1 443520925 LJBRTGIUBDQRGV-UHFFFAOYSA-N 426.448 5.058 30 20 IKED C=C(C)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1 460564796 GGNZCLILRJEEGN-DYESRHJHSA-N 441.501 5.446 30 20 IKED C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 460940094 XEOQQDXUYYMNDJ-UHFFFAOYSA-N 442.567 5.003 30 20 IKED Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 462107842 BFNMXYGUUDDNPZ-NRFANRHFSA-N 427.891 6.211 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c1 462914615 UAKUSECKKYESLJ-QPPBQGQZSA-N 432.907 5.654 30 20 IKED N#Cc1ccccc1Oc1ccc(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1F 463220459 CQEPBWYKNXQAED-UHFFFAOYSA-N 431.383 5.060 30 20 IKED Cc1nc(C(F)(F)F)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 464193848 QPCNCDINNKFNMX-NSHDSACASA-N 427.860 5.737 30 20 IKED CC(C)c1c(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cnn1-c1cccc(Cl)c1 464473311 GQVZXQOMQGIPED-INIZCTEOSA-N 432.833 5.553 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1noc(-c2ccccc2)n1 473821742 YKKUERAOTJQGFD-MRXNPFEDSA-N 425.448 5.283 30 20 IKED C[C@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccccc1C(F)(F)F 476792745 QOBYOWNNMBJSGJ-ZLPCBKJTSA-N 431.458 5.327 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1coc(-c2cccc(F)c2)n1 481358966 NCVWDQDFNRGIKW-UHFFFAOYSA-N 436.512 5.438 30 20 IKED COc1ccc([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1F 481657510 LYHFGNOHLPDISB-HNNXBMFYSA-N 437.446 5.307 30 20 IKED COCCN(C[C@@H]1CC=CCC1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 483703892 VAWNIIGFXOWNTE-OAQYLSRUSA-N 433.552 5.282 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 484372974 STZJQUNNNCRPMT-NRFANRHFSA-N 447.373 5.164 30 20 IKED CSc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1[N+](=O)[O-] 486228122 PTLDTYIPPSFJGA-UHFFFAOYSA-N 437.452 5.159 30 20 IKED C=C(C)Cn1c(S[C@H](C(=O)N2c3ccccc3C[C@@H]2C)C(C)C)nnc1-c1ccncc1 489389873 KRNCYGHJIPMNKN-AVRDEDQJSA-N 447.608 5.011 30 20 IKED CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 490136764 QTDAYLWTYCCORD-UHFFFAOYSA-N 433.895 5.995 30 20 IKED CC(C)n1ncc2c(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)cc(-c3cccs3)nc21 498959792 POHDLALVGZQHEQ-UHFFFAOYSA-N 441.560 5.417 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 499239437 JXVHKAWQSDQUCD-CYBMUJFWSA-N 445.372 5.309 30 20 IKED N#Cc1cnc(C(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)c(Cl)c1 505406798 YWPHCJLCPMQREM-UHFFFAOYSA-N 436.258 5.248 30 20 IKED Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 505928931 WWZUTKDTIRNFDW-GOSISDBHSA-N 447.347 5.280 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)cc1 508133782 SQFHEQHQGLPUGJ-UHFFFAOYSA-N 445.563 5.272 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 508156666 BIMKSRMXKXVZJF-UHFFFAOYSA-N 445.371 6.275 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccccc2OC(F)F)cc1 508268301 QQMSAOXSOMKJSI-UHFFFAOYSA-N 439.418 5.282 30 20 IKED C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(OC2CCCCC2)CC1 508883890 DFQJYYWFDWJSQU-GOSISDBHSA-N 428.552 5.061 30 20 IKED CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510007568 YMTPFRGGIOJMJR-XMMPIXPASA-N 446.982 5.591 30 20 IKED N#C[C@H](C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2)c1ccccn1 510026353 CKLAMMYOVMKNLL-INIZCTEOSA-N 425.319 5.333 30 20 IKED COc1ccccc1CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C1CC1 510056864 OOFJKSNBBBBIJP-QHCPKHFHSA-N 445.950 6.201 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(CCC(C)C)Cc1ccc(Cl)c(Cl)c1 512721128 RQOOSBZNIJNBPO-UHFFFAOYSA-N 448.394 5.590 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)Cc3coc(-c4ccc(Cl)cc4)n3)cc2)c1 517508944 CEMIBYOVMYDNSD-UHFFFAOYSA-N 429.863 5.840 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC 517530590 YFRHAUBHRYTEJZ-APWZRJJASA-N 425.554 5.467 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@H](c3ccc(F)cc3)c3cccs3)cc2)nc1 518370496 NPIRDNYITPTPDS-HSZRJFAPSA-N 429.476 5.466 30 20 IKED Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)CCCCOc1cccc(C#N)c1 518372543 CTJNBCRDQIRICS-WOJBJXKFSA-N 447.579 5.173 30 20 IKED Cc1ccc(-c2nc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cs2)o1 519434170 RBJLUONYGBYBDQ-UHFFFAOYSA-N 437.468 5.988 30 20 IKED N#Cc1ccccc1COc1cccc(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 520944635 DAMCLQFWNBDLHJ-MHZLTWQESA-N 426.516 5.149 30 20 IKED Cc1ccc([C@H](C)CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 523479476 KCNRMGQOCIIXAN-JPYJTQIMSA-N 445.950 5.162 30 20 IKED C=CCN(C(=O)[C@@H](C)C1CCOCC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 533719475 RIZPXKFGNJPNSZ-ZDUSSCGKSA-N 425.381 5.699 30 20 IKED C[C@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1Br)c1ccc(C#N)cc1 533879071 AOQIKUDNLMTBOQ-JTQLQIEISA-N 428.208 5.102 30 20 IKED O=C(Nc1ccc(OC(F)(F)F)cc1Br)c1c(F)c(F)cc(F)c1F 535335059 JWJPKNNIRHJMJU-UHFFFAOYSA-N 432.089 5.156 30 20 IKED CN(C(=O)c1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1)c1ccccc1 536053517 JJQFPFOJQKEAMW-FQEVSTJZSA-N 438.314 5.265 30 20 IKED CCN(C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1ccc(C#N)c(Cl)c1 539174890 FJWFMJUCCQEZLU-UHFFFAOYSA-N 446.359 5.496 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 539210724 NEJKYEJEDZHUFD-UHFFFAOYSA-N 441.375 5.252 30 20 IKED CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1 542086780 VXSGBLZUWYAMES-WMZOPIPTSA-N 432.593 6.016 30 20 IKED CCCC(=O)Nc1cccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C 542925291 RFBCWWKCVQOKNV-LJQANCHMSA-N 440.547 6.155 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)c1nc(-c2ccc(NC(=O)Nc3ccccc3)cc2)no1 546331124 XKRDZNYPEADPNL-MRXNPFEDSA-N 425.448 5.392 30 20 IKED CS[C@H]1C(=O)Nc2ccc(-c3noc(/C=C/c4cn(CCC#N)c5ccccc45)n3)cc21 546504905 NNEJBIDARKJGKE-DQACCSDVSA-N 441.516 5.132 30 20 IKED COCCCCc1noc(-c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)n1 547089700 LYWDRANRPBBTIY-UHFFFAOYSA-N 426.542 5.044 30 20 IKED C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(c2ncc(C)s2)CC1 549301613 GNDROXFDXLPGPP-UHFFFAOYSA-N 432.597 5.006 30 20 IKED CC(C)Cn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N1CCC(C)(C#N)CC1 549505560 BIRWUTRXXNXKOO-UHFFFAOYSA-N 440.551 5.539 30 20 IKED C[C@@H]1C(=O)N(c2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C(=O)N1Cc1ccccc1 553124180 UKWBUCXUCRIGIH-QGZVFWFLSA-N 445.906 5.148 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c(C)c1 554182191 MIEVDLYZEJSSNP-QGZVFWFLSA-N 441.572 5.972 30 20 IKED COCCSc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 554997131 QMZHBZRYNJRQQD-QGZVFWFLSA-N 448.548 5.367 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@]2(C1)OCc1ccccc12 555220894 IXLQNHTUUNATJM-JIPXPUAJSA-N 444.579 5.247 30 20 IKED CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)c2cccs2)cc1 559482130 MWPPMBWPLPCKIA-RHGYRFJNSA-N 445.588 5.216 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)cc2)c1 561360165 KSVDJFBWJRKFMA-UHFFFAOYSA-N 440.286 5.026 30 20 IKED C[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1nc2ccccc2n1C 564256633 KMFCDPAKSQCEKL-OAHLLOKOSA-N 430.895 5.382 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C(F)F)cc2)cc1Cl 576497959 NGZOHIFOBIVJRX-IBGZPJMESA-N 432.879 5.734 30 20 IKED CCOc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1OCC 580681553 WIPLZXQOBLKEAP-KRWDZBQOSA-N 446.507 5.426 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)CCCc1nc(-c2cccs2)no1 584128712 QKADGZKIZJPRRH-UHFFFAOYSA-N 428.517 5.226 30 20 IKED CC(C)(C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1csc(-c2cccs2)n1 584323193 BLRHETJPLRINPZ-UHFFFAOYSA-N 446.557 5.847 30 20 IKED Cc1noc2nc(C(C)C)cc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c12 587988856 ZRVPXPVGADPHLW-CYBMUJFWSA-N 444.438 5.773 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(CNC(=O)C4CCCC4)cc3)n2)cc1 590208563 VGKRAHQJLWAZJC-QFIPXVFZSA-N 443.572 5.415 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)CCNC(=O)c1ccc2ccccc2c1 603534228 SKUIZRARAQUTFX-UHFFFAOYSA-N 433.511 5.065 30 20 IKED CC(C)Sc1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 603945747 MNLJCMNFNFRVPR-UHFFFAOYSA-N 426.592 5.455 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1 603960219 IVOYVFWLUIRHDY-UHFFFAOYSA-N 438.443 5.152 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)o1 603963934 HVUXZMQPPFJMJB-UHFFFAOYSA-N 443.890 5.626 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 604505850 HIIKUGBOMLEYCQ-DEOSSOPVSA-N 433.939 5.159 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(F)cc1Br 609062097 XDZXDQAHGXYYGR-UHFFFAOYSA-N 439.284 5.600 30 20 IKED N#Cc1ccc(CNC(=O)c2oc3ccccc3c2CSc2ccccc2F)c(F)c1 609228367 ABNRSRROHWLYLH-UHFFFAOYSA-N 434.467 5.805 30 20 IKED COc1cc(C)c([C@H](C)NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1OC 609297971 XPNPPJIFPNFSSS-INIZCTEOSA-N 434.467 5.306 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H]2CCOc3ccccc32)cc1 609422330 LJDPNVITNNEUQO-HXUWFJFHSA-N 427.504 5.019 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 609435397 LVKAWOFMJXQNEQ-RYUDHWBXSA-N 426.344 6.409 30 20 IKED Cc1ccc(NC(=O)Cc2noc(-c3ccc(Oc4cccc(F)c4C#N)cc3)n2)cc1 609473943 XZVJSXFQNGTUMR-UHFFFAOYSA-N 428.423 5.029 30 20 IKED COc1ccc(Br)c(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1 609647886 XGCFHFCNLFPDHG-UHFFFAOYSA-N 437.293 5.161 30 20 IKED C=CCN(C(=O)[C@@H](C)Cc1ccccc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 609966294 VSJWPKZGUOSQAM-HNNXBMFYSA-N 425.485 5.255 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3ccoc3)n2)cc1Cl 609968346 YKVZGRZUQWYPQI-HXUWFJFHSA-N 433.920 5.893 30 20 IKED Cc1ccc(Sc2ccc(NC(=O)C(=O)N[C@H](C)c3cccc(C#N)c3)cc2)c(C)c1 610386144 UWKATWRJZCBOGO-GOSISDBHSA-N 429.545 5.142 30 20 IKED N#Cc1cc(CS(=O)(=O)Cc2ccc(Oc3cccc(Cl)c3Cl)cc2)ccn1 610954954 RJNIQXGAJOAKRZ-UHFFFAOYSA-N 433.316 5.167 30 20 IKED Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)s1 642322420 WYGKOOIKMJHSTK-UHFFFAOYSA-N 447.516 5.066 30 20 IKED C[C@@H](c1nnc(-c2ccccc2F)s1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 669927916 SONGSFNDJPNJRK-GARJFASQSA-N 427.389 5.468 30 20 IKED Cc1nn(C)c(C)c1[C@H](NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 670157880 TZRXPNYKDWZDKQ-AWEZNQCLSA-N 433.318 5.468 30 20 IKED C[C@H](NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(OCC(F)(F)F)cc1 675737368 GGCVCHZFKRDWNK-DRZSPHRISA-N 437.346 6.188 30 20 IKED O=C(CC(F)(F)F)Nc1ccc(NC(=O)c2c(F)cc(C(F)(F)F)cc2F)cc1 685846530 QAHOEVRMKSKRFW-UHFFFAOYSA-N 426.263 5.127 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2ccc(COc3ccc(Br)cc3)o2)cc1 726939979 AGPTZNQMRGOVTB-UHFFFAOYSA-N 439.309 5.490 30 20 IKED CC(=NNc1nc(Cl)c(Cl)cc1Cl)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 727254783 YOUZXPVAAFPWIR-UHFFFAOYSA-N 432.651 5.311 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1 731332503 MTLWVAOYVVQPDG-AWEZNQCLSA-N 429.517 5.819 30 20 IKED C=CC[C@H](NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C)c1ccncc1 734456732 BOSLBSRWFHTFKT-SFHVURJKSA-N 425.941 5.404 30 20 IKED COc1cc(CSc2nnc(-c3ccccc3)s2)ccc1OCc1cccc(C#N)c1 734981395 DDECORLTEZLMGR-UHFFFAOYSA-N 445.569 5.957 30 20 IKED CCOc1ccc(Cl)cc1C(C)=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1 735973860 URIKRWVKVWIUMT-UHFFFAOYSA-N 435.837 5.446 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Cc3cccc(C(F)(F)F)c3)n2)cc1 739158710 CWQCIOKMLYPCFB-AUUYWEPGSA-N 444.478 5.893 30 20 IKED C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 741522090 MVTRSXOIODQWNQ-UHFFFAOYSA-N 442.302 5.349 30 20 IKED C[C@H](OC(=O)c1ccccc1SCC#N)c1ccc(N(C)Cc2ccccn2)c(F)c1 744204359 RZCGKMFOMFPDKD-KRWDZBQOSA-N 435.524 5.391 30 20 IKED N#Cc1ccc(CN(Cc2csc(-c3ccco3)n2)c2ccc3nc(O)[nH]c3c2)cc1 744405842 CWHUIAPQGIAKIH-UHFFFAOYSA-N 427.489 5.063 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)o2)c1 744485668 BWRVDKFIQUGLDU-UHFFFAOYSA-N 449.388 5.651 30 20 IKED C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 752288324 VYPHESFVHYIAAK-AUUYWEPGSA-N 426.925 5.307 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cccc(CCC(F)(F)F)c2)ccc1OC 753894199 RYJRJKIANHLPGV-SFHVURJKSA-N 435.446 5.193 30 20 IKED O=C1/C(=C\c2nc(Cl)cs2)CC2(CCOCC2)C/C1=C/c1nc(Cl)cs1 759086072 ZFKAJQUFLNWNRI-CBIKUMSCSA-N 427.378 5.533 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)[C@@H](C)c2sc(-c3ccccc3)nc2C)c1 759321649 JFSNYYMKVDRKCY-GHTZIAJQSA-N 448.592 5.702 30 20 IKED CCCOc1c(Cl)cc(/C=C/C(=O)c2c(F)cccc2N2CCOCC2)cc1OC 764433987 IDUJNCDFDDNJJW-BQYQJAHWSA-N 433.907 5.009 30 20 IKED C[C@@H](C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccc(Br)s1 764750320 FHFDGBHSRFFQLB-RXMQYKEDSA-N 449.157 5.328 30 20 IKED CCn1c(-c2ccc(F)cc2)nn(CN(Cc2ccc(C#N)cc2)CC(F)(F)F)c1=S 764896275 BUOLNPFJTCZUDE-UHFFFAOYSA-N 449.477 5.134 30 20 IKED C=CCn1c(-c2ccc(C)cc2)nn(CN(C)[C@H]2CCCc3nc(C)sc32)c1=S 764990719 MXLUJJWUTLWNJY-IBGZPJMESA-N 425.627 5.307 30 20 IKED Cc1cc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)ccc1NC(=O)OC(C)(C)C 772635672 GFPNEEAZKSDCBE-SFHVURJKSA-N 444.329 5.099 30 20 IKED N#C[C@H](C(=O)C1(c2ccc(F)cc2F)CCC1)c1nc(-c2c(F)cccc2F)cs1 777314267 SOVAOKZYCSGINV-CYBMUJFWSA-N 430.426 5.665 30 20 IKED O=C1/C(=C/c2ccc(OCc3occc3C(=O)O)cc2)CCc2ncc(C(F)(F)F)cc21 777467383 KDNHMXCGJSUZHZ-NTEUORMPSA-N 443.377 5.183 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 780669834 MDKRFDBHROUYST-HNNXBMFYSA-N 447.366 5.070 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 780675086 SUXMHANVPCEZCC-MEDUHNTESA-N 431.336 5.421 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1 780998705 YMJVOSDVMKGKKD-FQEVSTJZSA-N 449.551 5.183 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)c2cnn(-c3ccncc3)c2C(F)F)c1 783233175 ZRPPDPWNUHZPIL-UHFFFAOYSA-N 434.471 5.095 30 20 IKED Cc1cc([C@@H](CC(=O)O[C@@H](C)c2ccc(C#N)cc2)NC(=O)OC(C)(C)C)cc(Cl)n1 788373869 YNGLKEFTZPMDCA-HNAYVOBHSA-N 443.931 5.175 30 20 IKED O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 790651422 PERGMPAILIQHKN-SSEXGKCCSA-N 433.495 5.277 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1 811895933 DRGDHLGEMDMPIE-CQSZACIVSA-N 431.583 5.623 30 20 IKED N#CC1(CCCSC2=NC(=O)/C(=C\c3csc4ccccc34)S2)CCOCC1 814772289 SHSPQNKNHRNPPK-LDADJPATSA-N 428.604 5.705 30 20 IKED CC(=O)N[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccc(C)cc1 915102161 SNUJIDPANLEIMD-WOJBJXKFSA-N 437.952 5.216 30 20 IKED O=C1CCc2cc(C(=O)/C=C\c3csc(-c4cccc(Br)c4)n3)ccc2N1 915993309 NFOJGOFJKUHOKF-VURMDHGXSA-N 439.334 5.353 30 20 IKED Cn1c([C@H](C#N)C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)nc2ccccc21 916845495 ZXCLABUEIFKBQF-OAQYLSRUSA-N 436.490 5.670 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cccc(NC(=O)C2CCCCC2)c1 916917439 HCTWKTQJAQFQNZ-HSZRJFAPSA-N 439.515 5.320 30 20 IKED Cc1ccc(C)c(C(=O)CCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 917043504 MHNUCKFOEMZMLK-INIZCTEOSA-N 430.451 5.771 30 20 IKED N#C[C@@H](C(=O)/C=C/c1cc(Br)ccc1F)c1nc2cc(Cl)ccc2s1 917045421 ZMVXNBHMCSQAKA-CCRVJLMDSA-N 435.705 5.741 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCc3ncc(-c4ccccc4)o3)n2)cc1 920141971 ODUYMQJCMIHQDY-FQEVSTJZSA-N 438.512 5.536 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=S)NCCSc2ccccc2)cc1 920994765 WFGWHJITSLYICM-UHFFFAOYSA-N 435.593 5.366 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(C(F)(F)F)cc4)CCC3)cc2)C1 1785807388 MXFGGUGHOIUBQS-UHFFFAOYSA-N 442.481 5.348 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc4cnccc34)cc2)CCC1 1789327612 WISBWQKTMXGRKR-QHCPKHFHSA-N 439.559 5.751 30 20 IKED CC(C)=CCCC(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)c(C#N)c3)cc2)CCC1 1790521307 XXBUHJCPJVYDMF-UHFFFAOYSA-N 433.527 5.120 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccc(NC(C)=O)c3)cc2)CCC1 1792136120 YZUJYEPBMJHWRW-UHFFFAOYSA-N 447.579 5.385 30 20 IKED CC1(C)CCC(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCC#C[Si](C)(C)C)C3)CC1 1800231479 OZCSQSSFQOGOOP-NUNAXRQHSA-N 444.736 5.282 30 20 IKED CC[C@H](C)[C@H](C(=O)N1CCC2(CCCN(C(=O)[C@H](S)C(C)C)C2)CC1)c1ccccc1 1806060741 NQRXZDAXWZUWJZ-ACIOBRDBSA-N 444.685 5.002 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C(C)=C/c2cccs2)[nH]n1 1819300873 LDBMAZZZTGSDOH-WFYIHGMDSA-N 438.597 5.335 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3[nH]c(C)cc3c2)n[nH]1 1821584193 GYVVVDBHKJPVOU-QFIPXVFZSA-N 447.583 5.498 30 20 IKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(C)C)cc2)[nH]n1 1821987042 BEFVZUZIVKMGFD-IBGZPJMESA-N 430.499 5.050 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@@H](C)c2ccccc2)n[nH]1 1822040670 IUBUXYBOCCFWCE-KJXAQDMKSA-N 434.584 5.364 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)c2cccs2)n[nH]1 1822705239 GQLINYDOAWDDHB-WMZOPIPTSA-N 428.602 5.259 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(OC)c2C)CC1 1828829557 JDLDFYHDWUEUEY-LADGPHEKSA-N 438.612 5.005 30 20 IKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCCC(C)(C)C)CC1 1828889410 QJYNXPKIPCJCJQ-GOTSBHOMSA-N 448.692 5.176 30 20 IKED CC1(C)CCC(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)CC1 1830016160 BFGKWXMHTUIPOY-VWLOTQADSA-N 449.639 5.398 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2)CC1 1830025883 RNXNLZZYFXQOIH-GOTSBHOMSA-N 429.004 5.342 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 1832023626 XUOOYCVKXZFHQI-XDZVQPMWSA-N 434.624 5.178 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccc3c(c2)CCCC3)c(C)s1 11164053 DHGGQOZXVMMENJ-UHFFFAOYSA-O 449.665 6.199 30 20 IKED C=CCn1c(SCc2cccc(Br)c2)nnc1[C@H]1COc2ccccc2O1 21244314 QYINHJAQNKTILU-GOSISDBHSA-N 444.354 5.031 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 60033828 NCMCLOFKNJILHI-FQEVSTJZSA-N 444.556 5.910 30 20 IKED CC(C)c1ccc([C@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c2cccs2)cc1 72089890 IDEYWVXWLXWCJY-QHCPKHFHSA-N 441.560 5.030 30 20 IKED Cc1nc(CSc2ccc(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)cc2)cs1 248020534 IRKVPPFYUGKUDQ-UHFFFAOYSA-N 446.519 5.544 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 303373567 KQBWVJBPVGMNOR-XXBNENTESA-N 427.573 6.118 30 20 IKED CCN(C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)[C@H](C)c1ccc(F)cc1 426693586 FGLJNCYFRQORNM-QGZVFWFLSA-N 431.467 5.038 30 20 IKED CN(Cc1cn2c(n1)CCCC2)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 429452181 KYMFNLJSOJAIRR-UHFFFAOYSA-N 435.915 5.201 30 20 IKED N#CCSc1cccc(C(=O)N(CCCn2ccnc2)Cc2c(F)cccc2Cl)c1 430715192 OTSRJSHHAXUQPF-UHFFFAOYSA-N 442.947 5.024 30 20 IKED N#CCSc1cccc(C(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 431333759 SJSYKQBGFUAYKT-UHFFFAOYSA-N 433.480 5.375 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)c1 433939578 HQHMUPAAJIBCED-UHFFFAOYSA-N 436.471 5.317 30 20 IKED C=CCC[C@H](NC(=O)[C@@H](C)SCc1nc(O)c2c(C)c(C)sc2n1)c1ccccc1 435301065 VVDCARBQISTEOI-AEFFLSMTSA-N 441.622 5.459 30 20 IKED CN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nc2cccc(Cl)c2s1 436392198 SCDOOBQGYHCMTQ-UHFFFAOYSA-N 433.920 5.677 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 437810664 MKRUEIWLLNZKKU-ZEQRLZLVSA-N 430.552 5.006 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 438623610 DFNUNIYQHAXORA-AZUAARDMSA-N 445.485 5.822 30 20 IKED CCCc1c(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cnn1-c1cccc(C#N)c1 439660752 COZCLUOSJCXCAW-JOCHJYFZSA-N 433.943 5.719 30 20 IKED C=CCSc1ccccc1NC(=O)CNc1cccc(C[S@@](=O)c2ccccc2)c1 442087046 QABXGXSYAUSJHM-SSEXGKCCSA-N 436.602 5.323 30 20 IKED COc1ccc(CNC2CCC(Oc3ccccc3C#N)CC2)c(OCc2cccnc2)c1 443990599 RNXRZCYTOIWEQT-UHFFFAOYSA-N 443.547 5.021 30 20 IKED CC(C)n1c([C@@H]2CCCN2C(=O)c2cn(CCCC#N)c3ccccc23)nc2ccccc21 444292622 SBZQPMUYUZIEDQ-VWLOTQADSA-N 439.563 5.853 30 20 IKED N#C[C@H](NC(=O)CCC(=O)c1cc(Cl)sc1Cl)c1ccc(Br)cc1 445691665 RMHJEZZGLGJOQB-LBPRGKRZSA-N 446.153 5.161 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 448403992 APDUFOFSTWIYCA-NLFFAJNJSA-N 430.552 5.140 30 20 IKED C=C(C)Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)c1ccc(-c2ccccc2OC)cc1 460776249 WCYOVIVGGCZHBA-NTKDMRAZSA-N 432.568 5.579 30 20 IKED C=C(C)Cn1c([C@H]2COCCO2)nnc1N(Cc1cccc2ccccc12)C1CCCC1 460923086 CHZPQIYVVDRBRJ-XMMPIXPASA-N 432.568 5.045 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1 462277046 UVZCMFSWOOOZMW-ZEQKJWHPSA-N 441.531 5.373 30 20 IKED CN1CCC[C@@H](CNCc2cccc(OCc3ccccc3C#N)c2)[C@H]1c1cccs1 462719756 SHMIPPITLJZTCE-NVQXNPDNSA-N 431.605 5.371 30 20 IKED N#Cc1cccc(C2(C(=O)Nc3ccc(NC(=O)c4cccc(Cl)c4)c(F)c3)CC2)c1 463530571 DZEUYCYZXGUUSG-UHFFFAOYSA-N 433.870 5.273 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)s2)cc1OC 464411484 MCEIFJXNPMRDEU-CQSZACIVSA-N 447.438 5.040 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)cc1)C1CC1 464979217 QZXRSKHNOKVSHA-UHFFFAOYSA-N 439.515 5.422 30 20 IKED COc1ccc(-c2cncc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2)cc1 467068250 JSTIFVJLEKIGBH-OAQYLSRUSA-N 445.931 6.024 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 471263477 SMHWCTSEFGEGKY-AWEZNQCLSA-N 430.455 5.538 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 476125163 AATATGQZOBUKAF-PXDATVDWSA-N 438.568 5.207 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(COc4ccc(F)cc4)c3)CC2)cc1 486421486 UXIRWWSLRYGVMN-UHFFFAOYSA-N 445.494 5.352 30 20 IKED CN1CCC(N(Cc2ccccc2)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 488675382 NKRCCEOPNXOHAV-UHFFFAOYSA-N 425.532 5.087 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccccc2C)n1CC=C 488903842 YGUXMZRJBUCTRD-GOSISDBHSA-N 438.622 5.196 30 20 IKED C=CCC[C@H](NC(=O)NCc1cc2ccccc2n(C)c1=O)c1ccc(C(F)(F)F)cc1 489754141 ODKNSCBAEMRYMP-FQEVSTJZSA-N 443.469 5.064 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cn1ccc(-c2cc(Cl)ccc2Cl)n1 496934016 KLWSJFNPOFPVKD-AWEZNQCLSA-N 445.375 5.890 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1Cc2cc(Br)ccc2C[C@@H]1C 499897852 VIOQADVATMMJQG-GJZGRUSLSA-N 444.398 5.822 30 20 IKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)c2csc3ccccc23)cc1 506729608 JJHFRLHOFWSMBJ-UHFFFAOYSA-N 434.542 5.347 30 20 IKED C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@H](c2ccco2)C1 508506015 DNEIVYGNUQWFBJ-INIZCTEOSA-N 426.929 5.170 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1ccc(Br)s1 510040123 HOMWQQYYAYJICD-UHFFFAOYSA-N 428.311 5.059 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)cc1 510678400 CUDSKSAYWCVANO-LJQANCHMSA-N 449.599 5.795 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 510700040 KYIUVJGPESOUFJ-DQEYMECFSA-N 445.494 5.840 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cc2)cc1 512948791 QUJMATRLZJRJLK-QFIPXVFZSA-N 436.496 5.554 30 20 IKED N#C[C@H](C(=O)c1ccccc1SCc1cn2ccccc2n1)c1nc2ccccc2s1 513696178 UDLSMQRQCHYZRB-GOSISDBHSA-N 440.553 5.726 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2cc(F)cc3c2OCOC3)cc1Cl 514465390 FHAVECWHVHSUDI-OAQYLSRUSA-N 436.870 5.182 30 20 IKED Cc1sc2ncnc(N3CCC(C(=O)N(CC(C)C)c4ccc(C#N)cc4)CC3)c2c1C 515372384 VOBHBSBYDBPBOG-UHFFFAOYSA-N 447.608 5.085 30 20 IKED COc1cccc([C@@H]2C[C@H](C)CN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1 515560103 XDINWYAEXNEPCQ-XDHUDOTRSA-N 428.492 5.369 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc(Cl)cc4cccnc34)s2)cc1 515600181 SKROCEYZZZJTSI-UHFFFAOYSA-N 437.937 5.156 30 20 IKED CC(C)c1ccc(CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 516722124 DZSLOXOUCGTVHB-QHCPKHFHSA-N 445.950 5.374 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 517778444 JBJDQYDJIKONRD-RUZDIDTESA-N 425.532 5.669 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4sc5ccccc5c4s3)n2)cc1 517801047 WLDYAECCZZOVNE-MRXNPFEDSA-N 441.562 6.601 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N1CCC[C@H]1c1cccs1 517857924 YGLOQMIWOBKDNW-NRFANRHFSA-N 431.517 5.023 30 20 IKED C=CCc1cc(CNC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)cc(OC)c1OC 518150650 DSPCFBROGPENQS-QHCPKHFHSA-N 433.552 5.350 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Cl)ccc3OC(C)C)n2)cc1 518516757 WRVTYTGMLNEPKD-GOSISDBHSA-N 426.925 5.749 30 20 IKED CN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1)c1cccc(C#N)c1 518706445 RBRGEZGGUCCTGZ-UHFFFAOYSA-N 443.510 5.295 30 20 IKED CN(C)C(=O)c1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)ccc1Cl 518924211 UZYWWDNAYNRCQZ-UHFFFAOYSA-N 433.895 5.152 30 20 IKED C[C@H](C#N)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1c(F)cccc1Cl)CC2 521534997 XPJZINMNLUISTA-WMJYUBJYSA-N 433.914 5.746 30 20 IKED N#Cc1c(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)sc2c1CCCC2 521544673 WMQWKGIJXPUFOX-UHFFFAOYSA-N 443.503 6.212 30 20 IKED C=CCNC(=O)Nc1ccc(NCc2ccc(-c3cccc(Br)c3)o2)cc1 522282994 MZTDWZKNFWNAQH-UHFFFAOYSA-N 426.314 5.629 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N(Cc2ccco2)C[C@H]2CCCO2)c1 522640881 DDZVLYQMYXMXST-JOCHJYFZSA-N 436.895 5.418 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(Oc4ccc(F)cc4)CC3)c2)cc1 523765849 OSBDCDFEWLDRIV-UHFFFAOYSA-N 431.467 5.565 30 20 IKED COc1ccc(S[C@@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 524388302 WJWNJUHPLVAEPL-SFHVURJKSA-N 432.545 5.574 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)NC3(c4ccc(Cl)cc4)CCOCC3)c2)cc1 524502594 RFSGARKJBDRUOS-UHFFFAOYSA-N 446.934 5.226 30 20 IKED CSCc1cccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 526311286 LRJPCYJDSWIBOF-NRFANRHFSA-N 449.963 5.436 30 20 IKED C=CCn1c(SCC(=O)Nc2cccc3ccncc23)nnc1-c1ccc(Cl)cc1 531034864 FUQCEEREVFBRTG-UHFFFAOYSA-N 435.940 5.064 30 20 IKED Cc1cnccc1N1CCC(C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)CC1 531204858 WPNXEGMUUVUWOY-UHFFFAOYSA-N 442.538 5.159 30 20 IKED COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1-c1ccccn1 535871077 ONCQVABWSUROPI-FQEVSTJZSA-N 436.496 5.242 30 20 IKED Cn1cc(-c2ccc(F)c(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c2)cn1 541113802 PKZMKDQKWSCQKK-UHFFFAOYSA-N 448.445 5.503 30 20 IKED COc1cccc(C2=CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)C2)c1 541991848 CSBYJVXXLQTDCA-UHFFFAOYSA-N 425.488 5.599 30 20 IKED CCN(CC)C(=O)CCC1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1 542073812 VPERBCAIOARLJZ-UHFFFAOYSA-N 449.620 5.210 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)c2)cc1 542349956 NZPWQWVHLZXUGW-UHFFFAOYSA-N 436.515 5.400 30 20 IKED C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2ccsc2)C1 549218687 CHFXDYPFZFQFAM-LJQANCHMSA-N 447.029 5.439 30 20 IKED C=CCn1c(SCc2csc(C3CCCC3)n2)nnc1[C@@H]1COc2ccccc2O1 554040098 FKGSGIPLKDEJMC-IBGZPJMESA-N 440.594 5.383 30 20 IKED Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)Nc2cc(C(F)(F)F)ccc2F)C1 554189599 SKOXZWNQGNAGFL-SNVBAGLBSA-N 438.347 5.008 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 555036180 GYQHCWUMLCKHFY-UHFFFAOYSA-N 431.867 5.513 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)c3nc4ccccc4n3C(F)F)o2)cc1 556340932 ZLFBSUUBOGZKSQ-CYBMUJFWSA-N 428.464 5.900 30 20 IKED C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 558985084 OMUWZWIELMLGSE-IBGZPJMESA-N 448.514 5.103 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)c1 560139963 DDIGLSXSZCOVJV-UHFFFAOYSA-N 449.919 5.437 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NC3(c4ccc(Cl)cc4)CCOCC3)cc2)ccn1 562096504 GKSDPEIJVAYRBO-UHFFFAOYSA-N 448.910 5.226 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1 562908308 VWKQJZHXFBGHOO-IRLDBZIGSA-N 436.625 5.505 30 20 IKED CN(C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 563574633 SFIFDNRVEFPGEY-URXFXBBRSA-N 446.482 5.269 30 20 IKED CCO[C@H](c1noc([C@@H]2CCC[C@H](C(F)(F)F)C2)n1)c1ccc(F)cc1C(F)(F)F 572562221 ARJCHTUEVJBCKO-ZETOZRRWSA-N 440.359 6.190 30 20 IKED CN(C)c1cc(Cl)cc(Cl)c1CNc1ccc2c(c1)CCC(=O)N2CCCC#N 589317728 CMCNMTDUWJPUCL-UHFFFAOYSA-N 431.367 5.254 30 20 IKED Cc1cn2c(CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)c(C)nc2s1 590567569 OESPMRAVIDDOKX-UHFFFAOYSA-N 432.574 5.107 30 20 IKED COc1cc(CNCc2cccc(OCc3cccc(C#N)c3)c2)ccc1OC1CCCC1 603681357 QLYZVGHNMMAKPR-UHFFFAOYSA-N 442.559 5.757 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)Cc1csc(-c2ccccc2Cl)n1 603968035 JAHZRRUQBPADRW-UHFFFAOYSA-N 435.961 6.245 30 20 IKED C=CCNC(=O)Nc1ccc(NCc2ccc(-c3ccc(Br)cc3)o2)cc1 604068309 AXJUAOFYYHIEAW-UHFFFAOYSA-N 426.314 5.629 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 604463547 QULVQRHOZCXEBI-UHFFFAOYSA-N 446.359 5.277 30 20 IKED COCCN(Cc1ccc(C#N)cc1)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 604493151 CWGMVLNRVYBMRU-UHFFFAOYSA-N 431.483 5.349 30 20 IKED C=CCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 604514212 PQORHQIBIMNKMS-UHFFFAOYSA-N 434.304 5.858 30 20 IKED O=C(Nc1ccc(CC(F)(F)F)cc1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 607531423 ODCYDDNQRYASIC-UHFFFAOYSA-N 431.311 5.387 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCCN(Cc4ccccc4)CC3)c2)cc1 609208903 KIBBQYILZHWUOH-UHFFFAOYSA-N 426.520 5.090 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 609398733 MVSXXNOHBCACHO-MSOLQXFVSA-N 428.627 5.034 30 20 IKED CCN(C(=O)CCCCOc1ccc(Br)cc1)[C@@H](C)c1ccc(C#N)cc1 609407464 SBIFIKJQNOKTBD-KRWDZBQOSA-N 429.358 5.480 30 20 IKED N#Cc1ccccc1COc1cccc(CNCc2cccc(OCc3ccccn3)c2)c1 609432902 ZVJZGNALZQMVJU-UHFFFAOYSA-N 435.527 5.401 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1ccc(Cl)cc1[N+](=O)[O-] 609692743 BVLIWXWAMIUAAH-UHFFFAOYSA-N 434.880 5.036 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCS[C@H](c3ccccc3)C2)cc1 609807882 WDWMJHSPIWTDAV-VWLOTQADSA-N 443.572 5.654 30 20 IKED Cc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(C)c1 609942103 ANEILSSACNCORT-LJQANCHMSA-N 427.504 5.126 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1OC 609989997 DJGQSRKQWGYTIJ-HSZRJFAPSA-N 427.504 5.296 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)c1ccc(C#N)cc1 610051664 RLBMXKVQDSNTLT-GFCCVEGCSA-N 426.339 5.244 30 20 IKED CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1cc(F)ccc1F 610149718 YCAGBDQBQXOJKH-JOCHJYFZSA-N 449.457 5.143 30 20 IKED C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C[C@H](C(F)(F)F)O1 610414983 IJIDLISXKVHHNY-KPZWWZAWSA-N 439.821 5.187 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)cc1 610683451 BOTDIPDSKIQBRP-IGKIAQTJSA-N 440.543 5.899 30 20 IKED N#C[C@H](C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccccc2)cs1 613392384 OBHKMASCKZXKKW-OAHLLOKOSA-N 440.368 6.338 30 20 IKED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 615573157 HLKBWHSFNGSAMU-UHFFFAOYSA-N 425.960 5.623 30 20 IKED Cc1cc(F)ccc1C(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517791 OXEJFINVCKFCRE-KRWDZBQOSA-N 435.339 5.385 30 20 IKED CCOc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc(OCC)c1OCC 642282612 LCAYQBIIDNOXDH-HNNXBMFYSA-N 443.450 5.118 30 20 IKED O=C(c1ccccc1OCc1ccc(F)cc1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674460733 JBBKAXCUZQYLEI-HOTGVXAUSA-N 435.339 5.218 30 20 IKED C=C[C@H](CC(=O)NC1CCC(NC(=O)C[C@H](C=C)c2ccccc2)CC1)c1ccccc1 677586478 NTDZOAYAKBZVFY-PJYWLYPCSA-N 430.592 5.250 30 20 IKED O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 679572939 CAGVISWWBFNHKE-YUMQZZPRSA-N 440.718 5.536 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)CCC3)[n+]2ccccc2CC)c1 726572932 KRDFOCRFEBHQDJ-UHFFFAOYSA-O 425.577 5.330 30 20 IKED C#Cc1cccc(N(CC)C(=O)Cc2csc(-c3cc(Br)cs3)n2)c1 728480479 SBSCRNGYKXZVMH-UHFFFAOYSA-N 431.380 5.211 30 20 IKED COC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 728765544 MJOHYALZZBRQIK-WGERFFLFSA-N 435.549 5.279 30 20 IKED C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(N2CCCC2=O)cc1 729570908 OAFWHUVXJPANES-SFHVURJKSA-N 440.503 5.360 30 20 IKED N#C[C@H](C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1nc2cc(F)ccc2s1 730422568 YRAKNWMNPRFZPP-CTNGQTDRSA-N 442.471 5.380 30 20 IKED CC(C)c1cccc(C(C)C)c1NC(=S)Nc1ccc(Oc2cccc(C#N)c2)cc1 731317482 GMVQMUOPIBZABF-UHFFFAOYSA-N 429.589 7.406 30 20 IKED N#C[C@H]1CN(C(=O)Nc2ccc(Oc3cc(Cl)ccc3Cl)c(F)c2)CCN1C1CC1 732698930 OYDWGCORLXFZEU-INIZCTEOSA-N 449.313 5.129 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnn(-c3ccccc3Cl)c2C)cc1 732707571 AFXQCENYCUOEQO-HNAYVOBHSA-N 434.927 5.309 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1nc2ccccc2n1C(F)F 733079462 COZCGWRZPBTPSI-UHFFFAOYSA-N 447.371 5.138 30 20 IKED C#CCN(Cc1ncc(-c2cccs2)o1)[C@@H]1CCOc2ccc(Br)cc21 733195213 HDAGIYKTBICCGI-MRXNPFEDSA-N 429.339 5.125 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)CSc2ccc3c4c(cccc24)CC3)ccc1OC 733228982 SYFIEBNGWHZPNQ-FQEVSTJZSA-N 446.572 5.036 30 20 IKED CC[C@H](C#N)Oc1cc(CNCc2ccc(-c3cccc(Cl)c3)s2)ccc1OC 733329941 MDRGDRHHGIPMSH-LJQANCHMSA-N 426.969 6.048 30 20 IKED C[C@@H](COc1cccc(C#N)c1)OC(=O)c1csc(-c2cc(Br)cs2)n1 733863629 OGCNUYUUXLNIIT-NSHDSACASA-N 449.351 5.130 30 20 IKED COc1cc(COc2ccc3c(C)cc(=O)oc3c2)ccc1OCc1cccc(C#N)c1 734981486 RCDRXYHEUAMFNI-UHFFFAOYSA-N 427.456 5.140 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(Cl)c2SCC(F)F)c1 737027111 NBYCGDCIFRVHMN-AWEZNQCLSA-N 439.915 5.700 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Nc3cccc(CN4CCCCC4=O)c3)c2)s1 740445336 VQGVPAJTARMHQL-UHFFFAOYSA-N 444.560 5.121 30 20 IKED Cc1c(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cccc1N1CCOC1=O 743789943 VUKVCRZWNLLULK-UHFFFAOYSA-N 447.878 5.521 30 20 IKED N#Cc1ccc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1C(F)(F)F 744371672 YAHLRTGRIHVIDS-UHFFFAOYSA-N 429.012 5.838 30 20 IKED Cc1sc2nc(-c3ccc(OC(F)F)cc3)nc(Nc3cnn(CC#N)c3)c2c1C 747444932 CREUDPDLWQYIJW-UHFFFAOYSA-N 426.452 5.040 30 20 IKED COc1ccc(N2CCC(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)CC2)cc1 748304647 YNBZQYUEMYITRS-UHFFFAOYSA-N 443.572 5.117 30 20 IKED N#CCCn1ncc(C(=O)OCc2coc(-c3ccc(Cl)cc3)n2)c1-c1ccccc1 759084007 ULDROXMVAXEWRM-UHFFFAOYSA-N 432.867 5.129 30 20 IKED O=C(O)C(=O)/C(=C/c1cccc(OCc2ccc(F)cc2)c1)c1ccc2ccccc2n1 766682274 DZRFEFPCWCEHIQ-PXLXIMEGSA-N 427.431 5.147 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cc(F)c(F)cc1F 767755169 SWPFUZOCTJLZFU-UHFFFAOYSA-N 433.842 5.386 30 20 IKED Cc1cc(CSc2ccccc2C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)on1 768175922 XQGRCFWQYUZCFG-SFHVURJKSA-N 431.439 5.289 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C[C@@H](C)c1ccc(Br)cc1 769947412 ZQDZBDJAABWRAV-QRWLVFNGSA-N 441.369 5.415 30 20 IKED COc1cc(NCc2ccc(Cl)cc2C#N)c(C(=O)N2[C@H](C)CCC[C@H]2C)cc1OC 774280735 KUICVYDYZDWHPD-HZPDHXFCSA-N 441.959 5.244 30 20 IKED Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1coc(C2CC2)n1 776748977 CVVLABSHMQWFGV-FQEVSTJZSA-N 448.504 5.387 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(F)cc3Br)n2)cc1 777298202 QZIRXOJTFNIJQQ-MRXNPFEDSA-N 440.297 5.002 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cccc(OCC(F)(F)F)c3)n2)cc1 784498304 ILOJGCUXTNYHDF-GOSISDBHSA-N 441.434 5.042 30 20 IKED COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 785679031 UIBHHPHPXLVALW-ZEQRLZLVSA-N 433.939 5.847 30 20 IKED N#C[C@H](C(=O)NCc1cccc(Cl)c1)C(=O)c1sc(-c2ccccc2)nc1C(F)F 786533992 HZGNBAPJRJBGHZ-HNNXBMFYSA-N 445.878 5.040 30 20 IKED C[C@@H](NC(=O)[C@@H](C#N)C(=O)c1csc(Br)c1)c1ccc(Cl)cc1Cl 787051238 HLXUHQXWFMVODR-PELKAZGASA-N 446.153 5.017 30 20 IKED CCNC(=O)N(C)c1cccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 794112117 BAIBRHGJVFUZHA-UHFFFAOYSA-N 448.910 5.422 30 20 IKED Cc1nc(SCC(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c2c(C)c(C)sc2n1 797569524 RPCLPMXVTYSTOO-CYBMUJFWSA-N 430.624 5.339 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 800576236 FBGHOEAZYHSILP-QFIPXVFZSA-N 427.589 5.449 30 20 IKED Cc1ccccc1[C@@H](O)C1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 804518388 XNKVOWQSNNZBKM-SANMLTNESA-N 426.516 5.245 30 20 IKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@](O)(C(F)(F)F)CC1 804553245 MRXXQFLWJXYJQX-MPNWYJEXSA-N 449.313 5.043 30 20 IKED Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 810115266 UWPVZRCDNWNTBU-QGZVFWFLSA-N 432.833 5.158 30 20 IKED CC[C@@H](Cc1ccccc1Br)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813211759 PPMXTJAEIARILE-WFASDCNBSA-N 425.248 5.308 30 20 IKED COc1cc(-c2cc(C(=O)Nc3ccccc3C#N)c3ccccc3n2)cc(OC)c1OC 856434064 PRZLXWPPGQOERX-UHFFFAOYSA-N 439.471 5.052 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccccc3NC(=O)c3ccccc3)s2)cc1 875065177 XUSOWADJHLOQMA-UHFFFAOYSA-N 438.512 5.110 30 20 IKED N#C[C@@H](C(=O)CSc1n[nH]c(/C=C\c2ccccc2)n1)c1nc(-c2ccccc2)cs1 914530674 NWRGEXDGBYPLFK-JYBLJSLWSA-N 443.557 5.067 30 20 IKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(CC(C)C)C(C)C)ccc1Cl 914682762 FYVCSYUOOOZGEX-UHFFFAOYSA-N 449.016 5.228 30 20 IKED COc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1Br 915102505 VEYHSEWHTOBTOF-MRXNPFEDSA-N 441.350 5.390 30 20 IKED O=C(O)CCCOc1ccc(C(=O)/C=C/c2csc(-c3ccc(Cl)cc3)n2)cc1 916155171 MGKLUAHXSQVNMM-FMIVXFBMSA-N 427.909 5.603 30 20 IKED Cc1ccc(Sc2ccc(C(=O)[C@H](C#N)C(=O)Nc3cccc(C)c3)cc2[N+](=O)[O-])cc1 916896200 AFZQKHYXXBARHR-FQEVSTJZSA-N 445.500 5.324 30 20 IKED N#C[C@@H](C(=O)CSc1cccc2cccc(Cl)c12)C(=O)Nc1ccccc1Cl 916908250 GJUMFAHKZMGYLF-AWEZNQCLSA-N 429.328 5.586 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(COc2ccc(Cl)cc2)cc1 916912103 YWMRTOHDLPOJGZ-IBGZPJMESA-N 439.298 5.534 30 20 IKED C[C@H](Sc1ccccc1Cl)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916931367 JVAGBVCMKVVCEO-CMPLNLGQSA-N 427.740 5.475 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1 916956021 WWWCMPBZPPYGCO-JXFKEZNVSA-N 449.938 5.789 30 20 IKED COc1ccccc1/C=C(/C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1 917040544 LNHJUKXGSYUCKA-ZAQQZEBGSA-N 443.453 5.857 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1nc2cc(Cl)ccc2s1 917042344 AEUVGINKHXPGMN-RHSMWYFYSA-N 438.940 5.070 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2cn(C)nc2-c2cc3ccccc3o2)S1 920065289 YVAFKFIBGVCLDW-UDWIEESQSA-N 428.517 5.342 30 20 IKED CC(C)(C)c1ccc(SCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 920141521 PUMXZKVTSQOGDV-HXUWFJFHSA-N 431.586 5.948 30 20 IKED CCCN(Cc1nc(O)c2sccc2n1)C(=O)Nc1ccccc1C#Cc1ccccc1 1323432259 KBQVRWGINGITOR-UHFFFAOYSA-N 442.544 5.241 30 20 IKED COc1ccccc1-c1ccc(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)c(O)n1 1527165256 SCOSETZIAJUCGE-KBPBESRZSA-N 433.533 5.334 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4ccsc4)cc3)CCC2)c1 1788242427 BWCXCAXVEUKPPV-GOSISDBHSA-N 443.572 5.366 30 20 IKED Cc1[nH]ccc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1788809155 ZZOXETHBCCHNTR-KRWDZBQOSA-N 426.520 5.012 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCCCCC(=O)OC)CCC2)cc1 1789458201 PHIJNDGVFAGNDX-JOCHJYFZSA-N 440.584 5.012 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc4sc(C)cc4[nH]3)CCC2)cc1)C(F)(F)F 1791304847 NFZSYBBYEYBTGY-UHFFFAOYSA-N 447.482 5.404 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)/C(C)=C/c3cccs3)C2)CC1 1804804955 ORGKAIOFZQAFTM-CZIZESTLSA-N 428.642 5.375 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823211913 CUJBTCUGATVSIQ-AVRDEDQJSA-N 447.583 5.335 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCc2ccncc2)CC1 1825252038 UUONQEWRJNYAOW-XMMPIXPASA-N 439.644 5.016 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(F)c2)CC1 1828826876 DOQOHJNNZJBLES-NFBKMPQASA-N 446.994 5.481 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC)cc2C)CC1 1830115423 MOBQCBXFUJGFMK-RUZDIDTESA-N 438.612 5.005 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2C2CC2)CC1 1832555655 CFORBGQFTGUXPK-QFIPXVFZSA-N 430.539 5.009 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 10172743 BQIVTQKIEXJKLT-UHFFFAOYSA-O 427.496 5.189 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(C(C)(C)C)cc1)[n+]1cccc(O)c1 10174299 QWVHYBHITOCSAD-UHFFFAOYSA-O 433.597 5.591 30 20 IKED Cc1cc(C)c(N/C(S)=C(\C(=O)c2cc(C)ccc2C)[n+]2cccc(C)c2)c(Cl)c1 10178788 OHDPVWXXBLXGKQ-UHFFFAOYSA-O 438.016 6.221 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)c(F)c1)=C(/S)Nc1cc(C)ccc1C 22729660 DRWCNCFJVNWBPU-UHFFFAOYSA-O 425.524 5.482 30 20 IKED N#Cc1ccc(CN2CCCN(C(=O)c3ccc(CSc4ccccc4)cc3)CC2)cc1 29984380 YWOSOFXTZCPECR-UHFFFAOYSA-N 441.600 5.199 30 20 IKED CC(=O)c1cccc(OCCCC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1 58684407 CUMQXEUEXCCWIA-UHFFFAOYSA-N 428.488 5.138 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1 63393324 WBUZCYIDBUZFEP-UHFFFAOYSA-N 440.550 5.731 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(OCc2ccccc2)c(OC)c1 63400629 OMBXOOINLBEAML-UHFFFAOYSA-N 441.531 5.044 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 71975970 ZBYQKHDPMCWAIP-ZRDIBKRKSA-N 425.897 5.120 30 20 IKED C=CCN(C(=O)[C@@H](C)OC[C@H]1CCCO1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 109195818 KHUDRYUCBPQNLH-UKRRQHHQSA-N 441.380 5.220 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CCSc2ccc(Br)cc2)cc1 111183706 UODPCXOULBKMGK-UHFFFAOYSA-N 433.371 5.277 30 20 IKED COc1cc([C@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cc(OC)c1OC 117114532 JNRKQIHATFKVAJ-INIZCTEOSA-N 448.544 5.226 30 20 IKED C=CCn1c(SCC(=O)N(Cc2ccccc2)C(C)(C)C)nnc1-c1ccccc1F 195569125 ATENVMWKKSWANH-UHFFFAOYSA-N 438.572 5.190 30 20 IKED CCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1cccc(C)c1 254696716 ZZUAWELTWPZCLM-IBGZPJMESA-N 445.972 5.027 30 20 IKED N#Cc1cccc(Sc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccco2)n1 301821726 GXVNZNKGHWMMGY-UHFFFAOYSA-N 428.304 5.311 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N(Cc3ccco3)Cc3cccs3)c2)cc1 303562453 AJZIUSJMCJJTMO-UHFFFAOYSA-N 428.513 5.634 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)C1CCC(F)(F)CC1 432716233 CYZXNFVERWPBIN-UHFFFAOYSA-N 441.931 5.183 30 20 IKED CCNC(=O)Nc1cccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1C 434025004 KFWALPUFMYBAPB-UHFFFAOYSA-N 432.455 5.192 30 20 IKED CSc1ccccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 436013944 CHGJZOIXLVDJKI-UHFFFAOYSA-N 432.514 5.234 30 20 IKED CCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H](Cc1ccc(F)cc1)C(C)C 438046747 YEJIPGMOBLHPSD-PGRDOPGGSA-N 427.589 6.341 30 20 IKED N#CCC[C@H](NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1)c1ccccc1 439670548 FSGTVBWJNDEJLE-SFHVURJKSA-N 430.291 5.335 30 20 IKED N#CC1CCC(CNC(=O)c2cccnc2Sc2ccc(Br)cc2)CC1 441137414 FQXDPUXCGBWIII-UHFFFAOYSA-N 430.371 5.055 30 20 IKED N#C[C@@H](C(=O)c1ccc(OC2CCOCC2)cc1)c1nc(-c2c(F)cccc2F)cs1 442812174 QHJMCMZPQSKJGB-KRWDZBQOSA-N 440.471 5.136 30 20 IKED C=CCn1c(S[C@H](C)c2nc(Cc3ccc(F)cc3)no2)nnc1-c1ccccc1F 445594532 UOOKNZJFFJKAKC-CQSZACIVSA-N 439.491 5.236 30 20 IKED C[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)c1ccccc1-c1ccc(Cl)cc1 447147333 IPBOXYAXGYCZHK-AWEZNQCLSA-N 438.314 5.348 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 447717798 FJWKLAAZGWFLQX-UHFFFAOYSA-N 428.463 5.225 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 463259224 PATAEURVNQMORT-PZJWPPBQSA-N 447.348 5.206 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1C 463900784 QXZZDGBOTCORSY-UHFFFAOYSA-N 445.954 5.188 30 20 IKED CSc1cccc([C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)c2cc(F)ccc2F)c1 466252234 NVZJMFWCCCDNPN-HSZRJFAPSA-N 437.515 5.489 30 20 IKED CCC(CC)(CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1 470565579 UBCCNYBGVOEGCW-UHFFFAOYSA-N 432.568 5.149 30 20 IKED CCCCc1ccc([C@@H](NCc2nnc(-c3cccc(C#N)c3)o2)c2cccs2)cc1 471617579 GRHFQZYDZGDRCF-XMMPIXPASA-N 428.561 5.892 30 20 IKED Cc1nc2cc(C(=O)Nc3sc4c(c3C#N)CCCC4)ccc2n1Cc1ccsc1 472811331 OBYHNCWGHVSUAH-UHFFFAOYSA-N 432.574 5.519 30 20 IKED Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 472849449 AAKQRNRHLSBJKZ-FQEVSTJZSA-N 436.515 5.504 30 20 IKED C[C@H](NC(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc(C#N)cc1 473480843 PAIDGHQMQVZASX-AOMKIAJQSA-N 449.352 5.060 30 20 IKED CC(C)Oc1cc(Br)cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c1 473929255 SWSTUYSRKMRFFH-KRWDZBQOSA-N 442.338 5.245 30 20 IKED COCCOc1cccc(CCC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1 475358184 JZYBVBOABSMERQ-UHFFFAOYSA-N 446.522 5.197 30 20 IKED N#C[C@H](C(=O)c1ccn(C2CCCC2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 477843464 RMRWOJPICFLGJN-OAHLLOKOSA-N 431.348 5.919 30 20 IKED CCCN(CCc1cccs1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 480369915 CXCSODGSSHCITP-UHFFFAOYSA-N 443.623 5.250 30 20 IKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1c(CC)cc(C)cc1CC 484856639 AZHGMNLQSSMJIU-UHFFFAOYSA-N 445.357 5.170 30 20 IKED N#CCCC[C@@H](NC(=O)c1cn(Cc2ccccc2)c2ccccc2c1=O)c1ccccc1 487451577 XFDBQYSOSICJNG-RUZDIDTESA-N 435.527 5.215 30 20 IKED COc1ccc(-c2nnc(SCc3ccccc3C(C)(C)C#N)n2C[C@@H]2CCCO2)cc1 487723522 HSZBBDNEVCMXPB-NRFANRHFSA-N 448.592 5.226 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(C)cc3Cl)o2)cc1 489786694 NUBFHYJKDHVBCX-AWEZNQCLSA-N 429.929 5.383 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)c3nnc(-c4cccc(Cl)c4)o3)o2)cc1 489815519 QCJCWHHCENLANI-ZDUSSCGKSA-N 440.912 5.858 30 20 IKED CCC(C)(C)C1CCC(NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC1 495320822 PLHUFOAOXSFOFC-UHFFFAOYSA-N 437.544 5.097 30 20 IKED C[C@H](NC(=O)Nc1cc(Cl)cc2c1OCC(=O)N2)c1ccc(-c2cccc(C#N)c2)cc1 495588750 BGICVJXSEVUKKN-AWEZNQCLSA-N 446.894 5.092 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1nc(-c2ccccc2)cs1 499602720 OXUJCMSETLVZJO-HNNXBMFYSA-N 440.406 5.369 30 20 IKED O=C(c1sccc1F)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 500588628 WAGDCFQFUBSRRD-CYBMUJFWSA-N 427.341 5.139 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 501762998 DQANERZMLDQFCP-UHFFFAOYSA-N 433.233 5.071 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N(Cc3ccncc3)Cc3cccnc3)c2)cc1 503227718 XCRUBIBOUUOQNH-UHFFFAOYSA-N 435.487 5.375 30 20 IKED CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Cc1ccc(C#N)cc1 505127692 FMIVZYDANMUDQP-UHFFFAOYSA-N 440.934 5.265 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](c1cncc(Br)c1)C1CC1 505374183 ZWPDFKZWXCVTSG-KRWDZBQOSA-N 440.794 5.408 30 20 IKED C=CCN(C(=O)c1ccc(CN2CCSCC2)cc1)c1nc(-c2ccccc2)cs1 508519148 BTGSRHQXBKXLOO-UHFFFAOYSA-N 435.618 5.192 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2cccc(Br)c2)cc1 508974552 DKAVMAITXVJYPK-UHFFFAOYSA-N 435.321 5.275 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C 510249618 AWFPLHMDXRZAPN-UHFFFAOYSA-N 443.334 5.248 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCc2nc3ccccc3s2)cc1 511338422 REDTWKCUMFFLBV-UHFFFAOYSA-N 442.544 5.306 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 511542762 QNXXSDJNBBSVCL-IYBDPMFKSA-N 440.334 5.951 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2 515825133 AAIFUSYLAYQHTQ-UHFFFAOYSA-N 428.492 5.098 30 20 IKED CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 516040600 AKUUGJWKRIBRBY-UHFFFAOYSA-N 447.922 5.034 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 521167113 NNVQTEFBHUDXAQ-UHFFFAOYSA-N 444.560 5.796 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)Cc1ccc(Br)cc1 521747916 DIQOXEVGBDIBBN-GJZGRUSLSA-N 432.387 5.454 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCCc1ccc2c(c1)CC(=O)N2 522018690 ZEKMUKMKKSEHOU-UHFFFAOYSA-N 441.506 5.057 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCCN(c3ccccc3)C2)cc1 522431352 BREHKFMAGWXIEO-QHCPKHFHSA-N 440.547 5.122 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 524546914 VYCIMAKEZRWCTE-JGCGQSQUSA-N 436.536 5.785 30 20 IKED Cc1cccc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c1Br 534563469 RGZRDQOPOJKPPW-OAQYLSRUSA-N 435.321 5.331 30 20 IKED CC(=O)N1CC[C@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c2ccccc21 535301593 CZHHDWQYOVMWNF-NRFANRHFSA-N 444.466 5.109 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(C(=O)OC(C)(C)C)c1 536690008 BLGTUCJNWCOKEH-UHFFFAOYSA-N 429.476 5.262 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)Cc1cccc(OCc2cccnc2)c1 538849292 WBVQKYNOTOZSON-UHFFFAOYSA-N 425.513 5.442 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(-c2ccc(Cl)cc2)s1 538864382 XFBQPAFMFUAVCT-HNNXBMFYSA-N 439.968 5.468 30 20 IKED C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccccc1OCc1ccccc1 540235154 LUPPLPBWDWITOQ-HXUWFJFHSA-N 441.531 5.123 30 20 IKED Fc1ccc([C@@H]2C[C@H]2c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)no2)cc1 540512127 BZKGSFMPGHONKP-QWHCGFSZSA-N 447.310 5.502 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(NCC(F)(F)F)c2)c1 548715972 UEQWHIRNYSLJFR-UHFFFAOYSA-N 425.410 5.364 30 20 IKED CC(C)(C)c1csc(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1C#N 550713398 AIUOYLNVSOQUMX-UHFFFAOYSA-N 444.516 5.158 30 20 IKED C[C@@H](CC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccc(Br)cc1 552688663 FTONOUFCSCFLKN-HNNXBMFYSA-N 445.332 5.023 30 20 IKED CCN(C(=O)c1ccc2c(c1)nc(Cc1cccs1)n2C)[C@H](C)c1ccc(C#N)cc1 552873410 VHAAHMSOYNZNLG-QGZVFWFLSA-N 428.561 5.321 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@H](COCC)C1 570297602 ALADVHGAFJIFHZ-SFTDATJTSA-N 434.584 5.400 30 20 IKED C=CCOc1ccc(/C=C\c2nc(-c3ccc(OC(F)F)c(OC)c3)no2)cc1OC 580319867 BNYTUJCSSCIIRN-POHAHGRESA-N 430.407 5.090 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1 580681488 KDRQDJFQWYOPIZ-UHFFFAOYSA-N 436.427 5.042 30 20 IKED CCc1noc2ncc(C(=O)[C@@H](C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)cc12 590388851 YKMSCEXBKMMQEL-TWXDKCPRSA-N 432.549 5.200 30 20 IKED CCCOc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1OC 603689577 QCLMLPLIZFBLMI-QGZVFWFLSA-N 446.507 5.426 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1c(C)nn(CC(C)C)c1C 603738776 NKARWPRAEPXWFM-UHFFFAOYSA-N 431.540 5.095 30 20 IKED C[C@H](Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)Nc1ccccc1C#N 604044698 HCKPIMZWASXHIT-ZDUSSCGKSA-N 427.291 5.491 30 20 IKED COCc1ccccc1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609079631 IHPITSSUYCKZCR-UHFFFAOYSA-N 435.911 5.259 30 20 IKED COCCN(Cc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609081046 YWFHWQPWPLAKGF-UHFFFAOYSA-N 449.938 5.471 30 20 IKED COc1ccc(C)cc1NC(=O)[C@H](C)Sc1nc2c(c(-c3ccco3)c1C#N)CCC2 609146814 WNTCNRVRPAHELK-HNNXBMFYSA-N 433.533 5.138 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1 609184632 OEHZSTFVXUFWNS-UHFFFAOYSA-N 442.359 5.279 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 609307139 SUSBXQODACXPPU-UHFFFAOYSA-N 447.438 5.644 30 20 IKED C[C@@H](c1ccccc1Br)N(C)CC(=O)Nc1ccccc1SC[C@H](C)C#N 609385231 FYQMGSYFIHJUDY-CVEARBPZSA-N 446.414 5.332 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 609436646 QIRBOAQLWKRFSV-UPJWGTAASA-N 439.425 5.675 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 609439062 VWFWERXBNITMAS-RDJZCZTQSA-N 436.606 6.396 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c2)c1 609642149 YSHBVXPSPCNSFP-UHFFFAOYSA-N 446.466 5.449 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 609669942 QCEKKWZUSJYJBK-UHFFFAOYSA-N 429.364 5.151 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)c3cccc(COc4ccccc4C#N)c3)cc2)nn1 610184059 AWJRVZWXBLHTNR-UHFFFAOYSA-N 436.471 5.280 30 20 IKED Cc1[nH]nc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1-c1cccc(Cl)c1 610354638 URHBSJOZOZSCQM-UHFFFAOYSA-N 442.906 5.742 30 20 IKED N#Cc1ccc(N2CCC(NC(=O)c3cc(Cl)ccc3SC3CCCC3)CC2)nc1 612469431 WVRVZACHWIPIHF-UHFFFAOYSA-N 441.000 5.040 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 618750547 QLUJDDFYKBZDLB-QFIPXVFZSA-N 430.895 5.273 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1 618849407 APVHTYGPQMKZLN-AVRWGWEMSA-N 425.532 5.624 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C)c(NC(C)=O)c1C 623754101 QBIXFSWFQZJIBF-UHFFFAOYSA-N 448.336 5.384 30 20 IKED CC(=O)c1ccc(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)o2)cc1 642281320 ZGGJQUDEUDXSNT-HXUWFJFHSA-N 426.497 6.071 30 20 IKED C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@H](c2cc3ccccc3[nH]2)C1 669806379 KMVRPDQFAILYSR-QFIPXVFZSA-N 427.552 5.046 30 20 IKED Fc1cc2ncnc(N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2cc1Br 680830094 HPYMXHVDGQAZDZ-HTQZYQBOSA-N 446.164 5.099 30 20 IKED C#CCN(Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1)[C@@H]1CCc2ccccc21 726185414 KZZMASHIGZAMQG-RUZDIDTESA-N 429.589 5.567 30 20 IKED Cc1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(C(C)(C)C)cc2)cc1 726572009 MJFOEIOGAQHJCJ-UHFFFAOYSA-O 446.596 5.087 30 20 IKED Cc1nc(-c2ccccc2)sc1C(=O)/C=C/c1cc2ccccc2nc1N1CCOCC1 727780063 GHBKCVYNTXEHBD-VAWYXSNFSA-N 441.556 5.399 30 20 IKED Cc1ccc(Cl)c(NC(=S)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1Cl 728443765 CBWLDFYHQZMCOI-UHFFFAOYSA-N 447.391 5.221 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](O)c2ccccc2C(F)(F)F)cc1 728738257 NEVLMSYBUKVORC-UNMCSNQZSA-N 439.437 5.216 30 20 IKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(C3CCC3)C2=O)cc1 730459117 HLPQKHFCZIPUEV-QFIPXVFZSA-N 449.576 5.019 30 20 IKED C#CCOc1ccccc1OC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 730511485 WFPFMNWUATZJRR-OAHLLOKOSA-N 427.909 5.234 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@H]1c1csc(-c2ccsc2)n1 731427797 RLZKYMXEDANWES-KRWDZBQOSA-N 431.995 5.044 30 20 IKED Cc1cc(C)c2sc(N(Cc3ccccc3)C(=O)Cc3ccc(OCC#N)cc3)nc2c1 731960921 VFNOUARSRKSJBX-UHFFFAOYSA-N 441.556 5.591 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 733789899 YOPIJFWLVRNILK-JOCHJYFZSA-N 441.556 5.462 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccccc2N2CCOC2=O)c1 735006583 BXBWVUJYGMJJEY-UHFFFAOYSA-N 433.851 5.213 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)[C@]2(Cc3ccc(Cl)cc3)C[C@H]3CC[C@H]2C3)n1 735768062 QDRXRWKMLKEYDZ-OWFNMBEASA-N 442.968 5.199 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C/c1cnc2ccc(C#N)cn12 736434499 UMOITFBIJHCOAQ-BQYQJAHWSA-N 449.333 5.297 30 20 IKED O=S(=O)(Cc1cc(-c2ccccc2)no1)O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F 738376557 LJKIZASAVHXKLH-GOSISDBHSA-N 445.846 5.015 30 20 IKED COC(=O)[C@@H](OC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1ccc(C#N)cc1 740239948 ZBBFWWGERKDMPD-KRWDZBQOSA-N 447.299 5.060 30 20 IKED N#CCOc1ccc(CN[C@@H](c2ccc3c(c2)CCO3)c2cc(Cl)ccc2Cl)cc1 742263225 VPVTUEJTTXTCEX-DEOSSOPVSA-N 439.342 5.710 30 20 IKED CSc1cccc([C@H](NC(=S)Nc2ccccc2C#N)c2cc(F)ccc2F)c1 743015519 IXOKZHJFLPOEQL-NRFANRHFSA-N 425.529 5.634 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@@H](C)c2sc(-c3ccccc3)nc2C)cc1 743472848 QVPZZNZQQPYWJX-ICSRJNTNSA-N 432.593 5.413 30 20 IKED C#CCCN1CCC(NC(=O)[C@@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)CC1 743491716 LVGYTNJUTIYNIZ-QFIPXVFZSA-N 447.431 5.431 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1C(F)(F)F 744035617 SBKGQSGISMJILY-BLLLJJGKSA-N 434.870 6.462 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccc(Br)s1 744062125 PXZPKAQATPUQKP-SMDDNHRTSA-N 442.363 5.486 30 20 IKED C=CCNC(=S)/C(=C(/O)c1ccc(OC(C)C)cc1)[n+]1ccc(Cc2ccccc2)cc1 749655904 BOHKMODSROCVQG-UHFFFAOYSA-O 445.608 5.339 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2)cs1 755703567 DXDLXXCCIZFIOT-VMPITWQZSA-N 431.344 6.339 30 20 IKED CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 755754857 BUZMACQGUBQFDS-NXCFDTQHSA-N 443.522 5.865 30 20 IKED N#CCOc1ccc(Cc2nc(-c3ccccc3-c3ccc(Cn4cccn4)cc3)no2)cc1 761535191 SGFGTQLZBVKMEQ-UHFFFAOYSA-N 447.498 5.142 30 20 IKED CC(C)[C@H](NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)c1ccc(C(F)(F)F)cc1 761742419 GLMJHVMLGQATRV-SFTDATJTSA-N 431.458 5.057 30 20 IKED CC(C)(C)c1ncc(/C=C/C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)s1 764752376 VPCLVGOVWFHIIY-SNAWJCMRSA-N 425.341 5.168 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(F)cc2OC(C)(C)C)ccc1OC 766491607 KNALVEUXYPMTFZ-QGZVFWFLSA-N 429.492 5.014 30 20 IKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2ccccc2OC(F)(F)F)cc1 767217741 CASUILMFRBFVOX-UHFFFAOYSA-N 436.459 5.050 30 20 IKED C=CC[C@H]1N(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCCC1(C)C 767229756 UCBKKMPNPSVHBH-RZPKCTKSSA-N 448.679 5.323 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)O[C@H](C#N)Cc4ccc(F)cc4F)cc3)o2)c1 774335666 MFHMHYQVINXIFM-NRFANRHFSA-N 445.425 5.282 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)O[C@H](C)c1ccc(F)c(C(F)(F)F)c1 778052026 NMOUFGZQROBMLC-JOYOIKCWSA-N 440.359 5.628 30 20 IKED CCOc1cc(CNc2ccccc2O[C@@H](C)C#N)cc(Br)c1OC(F)F 779994599 RTQQROHWYFZJMY-LBPRGKRZSA-N 441.272 5.352 30 20 IKED CCN(C(=O)Cc1ccc(NC(=O)Nc2ccccc2O[C@H](C)C#N)cc1)c1ccccc1 780500881 IDJDQTWEEHKUFW-LJQANCHMSA-N 442.519 5.217 30 20 IKED N#CCc1ccc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2C(F)(F)F)cc1 781368129 LAPYHSSUGUONJY-HSZRJFAPSA-N 438.449 5.147 30 20 IKED C[C@H](CC(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1c[nH]c2ccccc12 786277788 WNRRVVPRTVTOIS-CJNGLKHVSA-N 430.533 5.127 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN(CCC(F)(F)F)Cc2ccccc2)c1=S 790477407 IXLOFQGKUXRAHY-UHFFFAOYSA-N 433.503 5.074 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)[C@@H](O)c3cccc(C(F)(F)F)c3)c2)cc1 795313679 GQYMUDSCCBDMJA-QFIPXVFZSA-N 440.421 5.023 30 20 IKED C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc2c(c1)OCO2 796760588 CEFDZIMTVKBYKO-ABAIWWIYSA-N 445.327 5.826 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 797547305 HVAWALNGLZASPA-OAHLLOKOSA-N 437.286 5.174 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(Cl)c2ncccc12 801442857 MFBVFLPZWPQEJC-CQSZACIVSA-N 439.924 5.078 30 20 IKED Cc1cc(=O)oc2cc(N(C)C(=O)c3ccc(Sc4ccccc4C#N)cc3)ccc12 805355229 XZBYZOYWXUXSIC-UHFFFAOYSA-N 426.497 5.401 30 20 IKED O=C1/C(=C/c2csc(-c3ccc(C(F)(F)F)cc3)n2)C[C@H](C(=O)O)c2ccccc21 806563403 WEECTHKPZXMBMM-FUNAXGEOSA-N 429.419 5.667 30 20 IKED C=CCn1c(CCN2CCCCC2)nn(CN2CCC[C@@H]2c2ccc(Cl)cc2)c1=S 914567052 VFZYJTQYYJQVHE-OAQYLSRUSA-N 446.064 5.076 30 20 IKED CN(Cc1ccccc1OC(F)(F)F)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915354322 ZWXRCSVUXLPNDJ-OAQYLSRUSA-N 439.437 5.905 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)s1 916915695 HMHRXXKQYIOOLI-KRWDZBQOSA-N 431.542 5.223 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916924962 CXHYANYXARCHPC-CQSZACIVSA-N 444.331 5.084 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)CCN2c3ccccc3Sc3ccccc32)cc1 917798192 ROFNTWSVKHCCDK-UHFFFAOYSA-N 429.545 5.234 30 20 IKED CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(COc2ccccc2C#N)o1 919514931 YMFMACYLLONHQS-QZTJIDSGSA-N 446.503 5.428 30 20 IKED COc1ccc(OCc2nc(/C=C\C(=O)c3ccc(N4CCCCC4)cc3)cs2)cc1 920064592 GMHVRPUEBRUBES-AUWJEWJLSA-N 434.561 5.617 30 20 IKED Cc1oc(-c2cccs2)nc1CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920142729 WDXSGSZMGZXOJN-MRXNPFEDSA-N 430.514 5.126 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3Cl)CCC2)cc1 1786367312 JRZHXZMLBUFMNB-UHFFFAOYSA-N 444.934 5.210 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)/C=C\c3c[nH]c4ccccc34)CCC2)cc1 1786678778 UOSYQWCOJMUGHE-JYRVWZFOSA-N 445.588 5.234 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4cccs4)cc3)CCC2)cc1 1788163740 PBKWBHIOJRSUML-OUKQBFOZSA-N 441.556 5.275 30 20 IKED CCOc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4)CCC3)cc2)c1 1790342726 XHKXFRIVRNNBIY-UHFFFAOYSA-N 439.515 5.018 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H](c3ccccc3)C(C)C)CCC2)cc1 1790564304 WYJIYFNKMOPTCZ-RDPSFJRHSA-N 449.595 5.361 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cc(F)c(Br)cc3F)cc2)CCC1 1790658042 YJOKISUZRJKVIC-UHFFFAOYSA-N 449.295 5.051 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)C3CCC(F)(F)CC3)CCC2)cc1)C(F)(F)F 1791302693 VAWLCVMVYINQBS-UHFFFAOYSA-N 430.417 5.065 30 20 IKED Cc1[nH]ccc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792123513 GJXYLKFHOJPGBZ-QGZVFWFLSA-N 426.520 5.012 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc(F)cc(F)c3F)cc2)CCC1 1792129286 REKKYGYYSOXSMP-UHFFFAOYSA-N 428.454 5.045 30 20 IKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(-c2ccccc2)cn2ccccc12 1799193108 AACSSWDEVUPYNH-XBYSBRQOSA-N 441.575 5.070 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2cccc(C)c2)[C@@H]1c1cccnc1 1804030640 HHDHWZMIEDANAJ-AHWVRZQESA-N 447.623 5.021 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)CCc3ccc(F)c(F)c3)CC2)C1 1804857655 OVAOBMIECWVECZ-UHFFFAOYSA-N 446.582 5.121 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1819311202 PUVYJCUBNCBAAY-ZEYPLWLESA-N 445.567 5.111 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)[nH]n1 1821919941 BYATUOMXSJFKIV-LIRRHRJNSA-N 439.947 5.063 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)[nH]n1 1821921759 UMTPSQFORBGLHF-VBKZILBWSA-N 439.947 5.063 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CC[C@H](CCC)CC2)n[nH]1 1822101599 WCAJAMPAVJAOQL-ZHALLVOQSA-N 436.547 5.220 30 20 IKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)c2ccc(Cl)cc2)CC1 1823977206 MUZCKYNTVQKCMG-RDPSFJRHSA-N 443.031 5.257 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@]2(F)CCCC=C2F)CC1 1824146186 UITCCTYSCGIYQU-SQJMNOBHSA-N 434.571 5.120 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3ncccc3c2)CC1 1828031382 JKZDRMSIRRVTQW-RUZDIDTESA-N 447.623 5.461 30 20 IKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1831852951 GARHWSJELWVZKE-NRFANRHFSA-N 449.422 5.339 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1831859704 VUCUVRDPJQWPKV-LJQANCHMSA-N 442.909 5.168 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@]3(C)CC=CCC3)CC2)c1 1832635941 ZIRYXFMVEDUJCV-ZNFSXRAMSA-N 447.623 5.293 30 20 IKED O=C(O)c1sccc1/N=C/c1cc2ccccc2nc1SCc1ccc(Cl)cc1 1857777229 XTBMPLDZVYPBBP-WYMPLXKRSA-N 438.961 6.691 30 20 IKED CSc1cccc(NC(=O)COC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 9073644 BUOWRFHUCVSHGI-UHFFFAOYSA-N 448.569 5.368 30 20 IKED O=C(/C(=C(\S)Nc1ccc(Oc2ccccc2)cc1)[n+]1cccc(O)c1)c1ccccc1 10170989 GSUUCYWUDYNSLB-UHFFFAOYSA-O 441.532 5.523 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2ccc(C)c(C)c2)cc1 11161451 FYBMGIOFHTWFBI-UHFFFAOYSA-O 431.625 6.130 30 20 IKED N#CCSc1ccccc1NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 21174386 YVNRALYQGSMEBX-UHFFFAOYSA-N 434.361 5.357 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 111020811 BJECSAOMNSQYND-UHFFFAOYSA-N 428.492 5.290 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 303376239 LJAKKYVPFRYMRD-MRXNPFEDSA-N 444.551 5.003 30 20 IKED C=CCCc1ccccc1NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 410350081 HVILHTKUUMMHDS-UHFFFAOYSA-N 437.893 5.728 30 20 IKED COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(C(F)(F)F)c1F 429951856 ZLGGHYLHQWACEG-UHFFFAOYSA-N 425.300 5.141 30 20 IKED CC[C@H](c1nnc(SCc2ccc(C#N)cc2Cl)n1-c1ccc(OC)cc1)N(C)C 438818026 GYGJMARLBXGORT-HXUWFJFHSA-N 441.988 5.106 30 20 IKED CCCc1c(NC(=O)Nc2cc(NC(=O)C(C)C)ccc2C)cnn1-c1cccc(C#N)c1 439240989 WKSJICDHLHAGIP-UHFFFAOYSA-N 444.539 5.243 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)Nc3cccc(Cl)c3)cc2Cl)c1 439309568 ILXYNEABPVRLEM-UHFFFAOYSA-N 440.286 5.021 30 20 IKED COc1ccc(C[C@@H](NC(=O)N[C@H](CCC#N)c2ccccc2)c2ccc(OC)cc2)cc1 440208862 AUAAOKOIYJKPNY-CLJLJLNGSA-N 443.547 5.332 30 20 IKED CSc1ccc(-c2nsc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)n2)cc1 440471178 GQMJKBOGRYSZPM-UHFFFAOYSA-N 448.529 5.223 30 20 IKED N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2cccc3ccccc23)cc1C(F)(F)F 441737935 OBNXXXNOZPQWDQ-OAQYLSRUSA-N 437.421 5.032 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1Cl 442371752 BTLGCAKRCQUGAD-OSGXGRJZSA-N 435.955 5.019 30 20 IKED CSc1ccccc1[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 443125089 DAFHZNGJIJVPET-HNNXBMFYSA-N 449.507 5.027 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2CCOc3c(F)cccc32)cc1 443350419 IZTHMKNICASASE-QHCPKHFHSA-N 433.458 5.072 30 20 IKED N#CCCCn1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c2ccccc21 444030082 JPNRYRJUQSREND-UHFFFAOYSA-N 447.498 5.321 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)c2ccccc21 444184097 OSRQUOTZEUPDAR-UHFFFAOYSA-N 448.954 5.477 30 20 IKED Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 446874724 FWQALLWLYUYQBG-OAQYLSRUSA-N 431.458 5.113 30 20 IKED CCCc1ccc([C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2Cl)c2cccs2)cc1 447266796 YFHQHIZLDUCGLQ-NRFANRHFSA-N 437.952 5.070 30 20 IKED Cc1ccc(NC(=O)NCc2cccc(C#N)c2)cc1Oc1ncccc1Br 448071685 XORRNYBSXOOZLQ-UHFFFAOYSA-N 437.297 5.138 30 20 IKED Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccc(C#N)c(C#N)c4)c23)cc1 460106575 BNHGUWVEBYXHEN-UHFFFAOYSA-N 441.541 5.141 30 20 IKED N#Cc1ccc(CN2CCCN(C(=O)c3ccccc3Sc3ccccc3)CC2)cc1 460687870 ITACCMYRNGQPKY-UHFFFAOYSA-N 427.573 5.058 30 20 IKED C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 460952747 QVWBSRJJDGUAAU-SIKLNZKXSA-N 434.588 5.020 30 20 IKED C=CCn1c(SCCC(=O)c2ccccc2)nnc1-c1ccc(Br)cc1 463046446 YDNSHLQTFQWZLO-UHFFFAOYSA-N 428.355 5.259 30 20 IKED Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469951216 AIFDBAQDJMGJBW-UHFFFAOYSA-N 436.562 5.015 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 476108779 KXXBRQJDEKDOPE-SFHVURJKSA-N 444.535 6.267 30 20 IKED N#CCC[C@H](NC(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1)c1ccccc1 477221875 LICZTZIWCIUAFN-VQTJNVASSA-N 430.321 5.384 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)CC1 477733922 LECJNQYOEWNPQD-UHFFFAOYSA-N 443.469 5.256 30 20 IKED C=C(C)[C@@H](NC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1ccc(F)c(F)c1 478919394 MSNCTNVWSYSXTM-OAQYLSRUSA-N 427.520 5.225 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)nnc1-c1ccco1 479900619 KMYVCXYRKGKUMV-FQEVSTJZSA-N 442.972 5.127 30 20 IKED CCCCN(C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)[C@H](CC)c1ccccc1 481029826 CATLZIMMOVSCDH-XMSQKQJNSA-N 427.570 5.158 30 20 IKED CCCN(C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@@H]1CCCc2cccnc21 481311281 USWSBDPAMHVDSB-HXUWFJFHSA-N 434.931 5.114 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CC3(CCOCC3)c3ccccc32)cc1Cl 481464871 NTLJURRPBBDBPM-UHFFFAOYSA-N 444.918 5.713 30 20 IKED Cc1ccccc1NC(=O)[C@H]1CCc2ccccc2N1C(=O)C[C@H](CC#N)c1ccccc1 483459650 FTCJLBNYRPLNSJ-JYFHCDHNSA-N 437.543 5.369 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3[nH]c4ccc(F)cc4c3Cl)c2)cc1 486014266 GFUCBZVURMNAIS-UHFFFAOYSA-N 433.870 5.858 30 20 IKED C=CCn1c(SCC(=O)c2cc(C)n([C@@H](C)COC)c2C)nnc1-c1ccccc1C 488914440 JTSUFRSZYGJGII-SFHVURJKSA-N 438.597 5.040 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N[C@@H](C)c3ccc(CC)cc3)o2)cc1 489787499 FSHFNESUSUXBOD-DLBZAZTESA-N 437.565 5.222 30 20 IKED Cc1c(-c2ccccc2)sc(NC(=O)c2sccc2C#N)c1C(=O)N1CCCCC1 497989036 PFWHBZTYDLMTRD-UHFFFAOYSA-N 435.574 5.535 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccoc2)c1 499635256 IZXBIJPDKXMKKZ-UHFFFAOYSA-N 439.496 5.807 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc(C)c1OCc1cccnc1 503425629 ZURSJYLPEDNKBU-IBGZPJMESA-N 447.947 6.031 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)cc1C 503506112 BKDGJQBVDZZOCV-HXUWFJFHSA-N 448.954 5.028 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1 508514940 WRLGLFLTLKLDAY-UHFFFAOYSA-N 441.984 5.087 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2ccc(Oc3nncc4ccccc34)cc2)c1 509243963 YLIXKYPDHPMIPJ-UHFFFAOYSA-N 438.487 5.482 30 20 IKED C=CCn1c(Sc2nc([C@H](C)OC)ns2)nc2sc(-c3ccccc3)cc2c1=O 509692076 GOFJLKMENQZMDT-LBPRGKRZSA-N 442.591 5.021 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1Cl 510642036 XWXLJKXHFHXFAH-FYYLOGMGSA-N 449.938 5.802 30 20 IKED CCCCN(C)C(=O)C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 510858465 YGPOWTMNZRHVNH-UHFFFAOYSA-N 448.567 5.161 30 20 IKED C=CCn1c(SCC(=O)N2CCC[C@@]3(CC=CCC3)C2)nnc1-c1ccc(Cl)cc1 511761318 LNMUJWOCVQXZKE-QHCPKHFHSA-N 443.016 5.226 30 20 IKED C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)S(=O)(=O)c1ccc(C#N)cc1F 512590629 ANVNUEDWKSUVHR-SNVBAGLBSA-N 425.268 5.194 30 20 IKED Cc1ccc(-n2cc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)c(-c3ccccc3)n2)cc1 513196097 BCYFCUIHDSUXTR-FQEVSTJZSA-N 446.432 5.752 30 20 IKED CCOc1cc(-c2nnc(Sc3ncc(C#N)cc3Cl)o2)cc(OCC)c1OCC 513621750 YOGDBOJNIWHDBG-UHFFFAOYSA-N 446.916 5.004 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1nc(-c2c(F)cccc2F)cs1 514218420 MDHREZWCBGRRAC-GFCCVEGCSA-N 440.862 5.622 30 20 IKED C[C@H](Nc1cccc(OCCCC#N)c1)C(=O)Nc1ccccc1Sc1ccccc1 515715952 XBVCROCXXSNQSI-IBGZPJMESA-N 431.561 5.959 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2cccc(C)c2)cc1C 517972226 KZIZTWQMZSZFEW-UHFFFAOYSA-N 443.547 5.435 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc3[nH]c(C)cc3c2)nnc1-c1ccc(Cl)cc1 518392113 HKNBKQNVVGPIBW-UHFFFAOYSA-N 437.956 5.305 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(Cc4ccccc4)n3)cc2)cc1 519027228 FFZWQTYTMSFTMI-UHFFFAOYSA-N 425.513 5.579 30 20 IKED C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 521092314 SCJRUGOZKNIVFV-LJQANCHMSA-N 439.540 6.211 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 521326220 JRYWYZAVHUXUFO-AWEZNQCLSA-N 437.956 5.445 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)c1 523285269 GHJBQOUARXINQC-OAQYLSRUSA-N 438.430 5.139 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1[N+](=O)[O-] 523647956 QTEJEISZEQTWPW-CYBMUJFWSA-N 448.287 5.524 30 20 IKED N#CCCCOc1cccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 523946840 MMFKRTDZJPNPDO-UHFFFAOYSA-N 431.879 5.939 30 20 IKED N#CCCCOc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2Cl)c1 524217600 ACWYTOBIMIBOAE-HSZRJFAPSA-N 435.886 5.933 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H](C)c1sc(-c2ccccc2)nc1C 525761182 ABOJLDQMDJZFQZ-MJGOQNOKSA-N 448.592 5.113 30 20 IKED Cc1nc(O)c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1-c1ccccc1 530699387 LQIWYYUIGCRQPG-UHFFFAOYSA-N 449.510 5.660 30 20 IKED O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cc(O)nc2ccc(F)cc12 539478580 IQCCVZAQZDHPIH-MRXNPFEDSA-N 432.295 5.132 30 20 IKED N#CCCn1cc(/C=C/c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c2ccccc21 547193643 GZOYSEAKNAVQEH-RMKNXTFCSA-N 438.447 5.089 30 20 IKED N#CCCC[C@@H](NC(=O)C(=O)Nc1cccc(-c2cccc(Cl)c2)c1)c1ccccc1 551596204 CMNKTIHTILMLIQ-HSZRJFAPSA-N 431.923 5.497 30 20 IKED Cc1ncc(-c2ccc(NC(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)cc2)o1 553124829 AKBRUXFEGBNVLS-UHFFFAOYSA-N 434.927 5.420 30 20 IKED CC[C@H](C)n1ncc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1C1CC1 561226852 PSVNTCKOVFEKLO-INIZCTEOSA-N 439.991 5.502 30 20 IKED C[C@](C#N)(CCc1ccccc1)NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 561957499 JCTNEODAEJZYHU-HSZRJFAPSA-N 442.346 5.612 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1c[nH]c2ccccc12)C(F)(F)F 562171985 LOFXWNQSMWHYDL-ORAYPTAESA-N 432.471 5.987 30 20 IKED O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1cnc2ccccc2c1C(F)(F)F 582325700 UMTDSSSDQASQBO-UHFFFAOYSA-N 434.286 5.481 30 20 IKED N#Cc1ccc(N2CCC(c3nc(-c4ccc(Oc5cccnc5)cc4)no3)CC2)c(F)c1 584804720 DFKWIFVVEGVMGG-UHFFFAOYSA-N 441.466 5.319 30 20 IKED N#Cc1cc(F)cc(C2(c3nc(-c4cccc(NC(=O)c5ccccc5F)c4)no3)CC2)c1 589093935 WRBPEBMALFTKEG-UHFFFAOYSA-N 442.425 5.219 30 20 IKED N#C[C@@H](C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2)c1nc2ccccc2o1 592975913 YECRICWASYRHHW-AWEZNQCLSA-N 437.286 5.299 30 20 IKED C=CCn1c(Sc2ncnc3ccc(Br)cc23)nnc1-c1ccc(F)cc1 603370534 WOJQEJQELCRDMQ-UHFFFAOYSA-N 442.317 5.127 30 20 IKED COc1ccc(C)cc1NC(=O)[C@@H](Nc1cccc(OCCCC#N)c1)c1ccccc1 604044529 UKOSCAACPYUOQR-VWLOTQADSA-N 429.520 5.478 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1c(C)c(C(C)(C)C)nn1-c1ccccc1 604908050 ZHJXSUCERPTCEC-UHFFFAOYSA-N 432.568 5.707 30 20 IKED Cc1oc(-c2ccsc2)nc1CC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 608870279 HZLAKUGNRVCGJP-UHFFFAOYSA-N 431.542 5.592 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 608915096 IZEBHDKMMQDHCB-UHFFFAOYSA-N 441.557 5.284 30 20 IKED Cc1nnc(SCc2c(C(=O)N(C)c3ccc(C#N)cc3F)oc3ccccc23)s1 609216643 MZVHWBAGLUFWJT-UHFFFAOYSA-N 438.509 5.172 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(Sc3nncs3)cc2)cc1 609298230 GTQLUZNBHFZRLM-UHFFFAOYSA-N 448.504 5.745 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 609427609 REZTVTOJUKBITO-HNNXBMFYSA-N 448.514 5.350 30 20 IKED CCS(=O)(=O)c1ccccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 609723247 WTMDROLLALBUJH-UHFFFAOYSA-N 440.908 5.050 30 20 IKED N#CCn1c(C(=O)Nc2nc(-c3ccccc3C(F)(F)F)cs2)cc2ccccc21 609789521 ZDHTWQZZZLXUPF-UHFFFAOYSA-N 426.423 5.559 30 20 IKED C[C@H]1CN(Cc2ccccc2NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@@H](C)O1 609991642 XKYFWFQILRNUQW-BGYRXZFFSA-N 440.547 5.163 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)c1cccc(C#N)c1 610324608 HIVWDZAOCPTAMJ-CQSZACIVSA-N 426.398 5.647 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1C(F)F 611249466 BVZLZWIJAGLCRA-SECBINFHSA-N 441.187 5.161 30 20 IKED C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 611556544 YIDCIXJYIPMRLB-IDHHARJASA-N 435.877 6.190 30 20 IKED C[C@H](NS(=O)(=O)Cc1cc(-c2ccccc2)no1)c1ccc(-c2cccc(C#N)c2)cc1 611791088 WCGFCZQYCOTUNC-SFHVURJKSA-N 443.528 5.061 30 20 IKED Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)[C@H](C#N)c1ccc2ccccc2n1 613292870 ZVLMFDRPKKOQDC-LJQANCHMSA-N 445.320 5.290 30 20 IKED CC(C)n1ncc2cc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cnc21 613403113 BNLPKSARMOAPKW-CQSZACIVSA-N 429.427 5.131 30 20 IKED O=C(Nc1cccc(C#Cc2ccccc2)c1)C1CCN(C(=O)c2ccc(Cl)s2)CC1 616988759 IMDJZHFQCNITPV-UHFFFAOYSA-N 448.975 5.292 30 20 IKED Cc1cc(-c2noc([C@H](C)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)n2)ccc1F 618453852 VGZVYSGPWQECRL-WCFLWFBJSA-N 425.348 5.308 30 20 IKED O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1cccc(C#Cc2ccccc2)c1 629665194 IYSQGJXIGJJXRR-UHFFFAOYSA-N 429.476 5.006 30 20 IKED C=CCOc1ccc(/C=C(\Cl)c2nc(O)c3cc(OC)c(OC)cc3n2)cc1Cl 727264891 ZHBNZQBXPOFOBJ-DHDCSXOGSA-N 433.291 5.308 30 20 IKED N#C[C@H](NC(=O)/C=C/c1ccc(Br)o1)c1ccc(OCc2ccccc2)cc1 729370919 ZZIBRJBWUGKPIH-RPAADVPWSA-N 437.293 5.015 30 20 IKED COc1ccccc1C[C@@H](C)CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 730694127 KXYWIIPFJGQUHZ-GDBMZVCRSA-N 426.488 5.542 30 20 IKED CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)ccc12 730952229 NKGKMKKJIOFYCY-INIZCTEOSA-N 436.533 5.157 30 20 IKED Cc1csc(SCc2ccccc2C(=O)Nc2ccccc2SC[C@H](C)C#N)n1 730989352 LTUXZLGAONSPRN-OAHLLOKOSA-N 439.631 6.248 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(F)c(Cl)cc1Cl 731069933 NIAOJJFIRKOLFR-NSHDSACASA-N 441.311 5.322 30 20 IKED N#CCSc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 731649364 LPPRMUGRVYWANR-HSZRJFAPSA-N 441.556 5.532 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(Oc4ccc(Cl)nn4)cc3)c2)cc1 733242375 GVEQICJEHTYMLS-UHFFFAOYSA-N 442.862 5.839 30 20 IKED CC(=O)Nc1ccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1C 733630446 WKIDDPGQPHURQO-UHFFFAOYSA-N 432.455 5.187 30 20 IKED CCSc1ccc([C@@H](C)NC(=O)NCc2ccc(OC)c(O[C@H](C#N)CC)c2)cc1 733648876 LKBAGKFZRKSSSH-APWZRJJASA-N 427.570 5.049 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)c1 733770479 BISYTCDIQWGCJC-WUYXUBFHSA-N 445.401 5.108 30 20 IKED C=CC[C@@H](NC(=O)N[C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C)c1ccncc1 734668990 KJLAFRWAQMPSJW-DNVCBOLYSA-N 426.973 5.845 30 20 IKED CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 734963612 KQUWXAGXLCULPD-LADGPHEKSA-N 445.950 5.071 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1)C1CC1 736956880 ZWZMCBRVSUWGQI-AREMUKBSSA-N 438.531 5.497 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)O[C@H](C)C(=O)Nc1c(C)cc(C)cc1C 740327390 JFJIJHRMDKRKMX-MRXNPFEDSA-N 435.442 5.379 30 20 IKED CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 743476129 FPKUUNCXXKDUHW-UGSOOPFHSA-N 430.392 6.256 30 20 IKED CC(C)=CCOc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1 744025200 ISGSCAAXSFGBDF-LJQANCHMSA-N 430.476 5.307 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=S)Nc1ccc(OC(F)(F)F)cc1 745707491 LEQMPBNYGZMABR-UHFFFAOYSA-N 427.451 5.860 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cn1nc(C2CC2)n(Cc2ccccc2)c1=S 751931945 LTHSUTFWVDYLQX-XZOQPEGZSA-N 429.593 5.069 30 20 IKED COc1ccccc1Nc1nn(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(=S)s1 751932366 OOEPXHYHKGWNTG-HKUYNNGSSA-N 437.594 5.156 30 20 IKED Cn1ccnc1[C@@H](CCc1ccccc1)OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 754742456 YZFPOYKBBRILFM-HSZRJFAPSA-N 438.487 5.010 30 20 IKED C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 755603755 YKOOBIXDKRTJDF-RLHAVTDZSA-N 441.443 5.138 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)OCc1nc(C)c(-c2ccc(Cl)cc2)o1 757050934 YOHWTDLJLNGPCL-UHFFFAOYSA-N 440.883 5.086 30 20 IKED C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1cccc(C(=O)c2ccccc2)c1 762025244 LNFRCVRWDOBGQF-MGPUTAFESA-N 448.881 5.161 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1cccc(C(=O)c2ccccc2)c1 762040773 WRNSNOFTOVPIMB-OXJNMPFZSA-N 443.453 5.642 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc4ccccc4c3)o2)cc1 768460504 DBEKFOWDSIBBQK-MRXNPFEDSA-N 431.517 5.574 30 20 IKED Cc1c(C#N)cccc1NC(=O)c1cc(-c2cccnc2)nc2c(Br)cccc12 770727448 DHMMYSPCQHBDEP-UHFFFAOYSA-N 443.304 5.492 30 20 IKED O=C(/C=C\c1ccc(Oc2cnccn2)cc1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 771097569 JWLZGEDHTXVMLQ-RACPOZDESA-N 434.467 5.252 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCc3c(Cl)cc(Br)cc32)ccc1OC 772986727 QLHVMWCCBJAEIY-HNAYVOBHSA-N 449.776 5.569 30 20 IKED CC(=O)N(c1nc(COC(=O)C#Cc2ccccc2)cs1)c1c(C)cc(C)cc1Cl 773460652 PJIMMGLQLJLLLX-UHFFFAOYSA-N 438.936 5.193 30 20 IKED C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccccc1O[C@H](C)C#N 780743470 BNIQFEIUCCRSQH-CHWSQXEVSA-N 425.838 5.479 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)cc1OC 782119366 PXZPQEPQMSRKTM-BENRWUELSA-N 443.425 5.116 30 20 IKED N#C[C@@H](C(=O)CN1CCC[C@@H]1c1ccc(Br)s1)c1nc2ccccc2s1 784525363 DHMVTRKEKLQWKQ-GXTWGEPZSA-N 446.395 5.134 30 20 IKED COc1ccc(/C=C(\C)C(=O)[C@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1F 787048437 GTIYUMVSCSOPTR-GGAOBQQXSA-N 449.309 5.131 30 20 IKED C[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)NC(=O)OC(C)(C)C 791769670 UVKIUKLSKIJVPY-DNVCBOLYSA-N 442.947 5.030 30 20 IKED COC(=O)[C@H](Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1)c1ccc(C#N)cc1 797864640 LYVBSOXSHUKWPT-JOCHJYFZSA-N 438.430 5.161 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OC2CCC(C)CC2)CC1 802551173 PEWNKEKEEMJGIV-UHFFFAOYSA-N 429.996 5.134 30 20 IKED COc1cc(/C=C2/C[C@@H](C(=O)O)c3ccccc3C2=O)ccc1OCc1ccc(F)cc1 806559948 HEIWGRCGELCFNX-OFFMQOAPSA-N 432.447 5.252 30 20 IKED Cc1cc(-c2csc(NC(=O)c3cnccc3C#N)n2)c(C)n1Cc1ccccc1Cl 807985885 PFWCAIAHIUEOQG-UHFFFAOYSA-N 447.951 5.449 30 20 IKED N#Cc1cc(F)c(C(=O)N[C@@H](c2c[nH]c3ccccc23)C(Cl)(Cl)Cl)c(F)c1 808942107 LOSNPGDPKBPPSU-INIZCTEOSA-N 428.653 5.159 30 20 IKED N#Cc1ccc(/C=C2\SC(=S)N([C@H]3CCOc4ccccc43)C2=O)c(C(F)(F)F)c1 811624729 ORBAHWGIKLWIGO-PMFHANACSA-N 446.475 5.302 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1 915087855 YCUFDYABZPRGFZ-SANMLTNESA-N 440.506 6.205 30 20 IKED CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915180179 LNHFXJPAAHKJON-FQEVSTJZSA-N 440.528 5.675 30 20 IKED COc1ccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916996696 OCSQMMSEYDGULD-SJKOYZFVSA-N 447.343 5.769 30 20 IKED Cc1ccc(-n2c(-c3ccccn3)nn(CN(C)Cc3cccc(C#N)c3)c2=S)c(C)c1 917429000 MBUGXJAOGXWXII-UHFFFAOYSA-N 440.576 5.043 30 20 IKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccccc2C)cc1 917612334 QSBWTZBQIUGRPY-UHFFFAOYSA-O 442.608 6.381 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1 917716540 JKKKGKGTYUUFBO-UHFFFAOYSA-N 433.533 5.815 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(Cc4ccc(F)cc4)n3)n2)cc1 920875146 POSXOJWEOYZPKR-HXUWFJFHSA-N 447.560 5.724 30 20 IKED Cc1nc(C)c(CCC(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)c(O)n1 1460970356 NRLLMRIQCNTEAI-UHFFFAOYSA-N 438.940 5.047 30 20 IKED CC1(C)CCc2cccc(C(=O)NC3(c4ccc(NC(=O)C(C)(C)C#N)cc4)CCC3)c2O1 1785934675 RSPKTVIBDNIWSC-UHFFFAOYSA-N 445.563 5.088 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)Cc3cccc4ncccc34)cc2)CCC1 1786345881 XYTVJPJXMDUMJW-UHFFFAOYSA-N 439.559 5.105 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)COc3cccc4ccccc34)cc2)CCC1 1786677141 JIZHIEOWSKZKTB-UHFFFAOYSA-N 440.543 5.156 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cccc4cc(C)[nH]c34)CCC2)cc1 1786679058 YTLNCISGMYVNKN-UHFFFAOYSA-N 433.577 5.143 30 20 IKED CC1=CC[C@@H](C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)CC1 1790707356 KBWVAGKOLICSHA-JOCHJYFZSA-N 427.548 5.247 30 20 IKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5c(Cl)cccc45)CCC3)cc2)CCC1 1792233357 HDZVGRAUGUNJMI-UHFFFAOYSA-N 446.938 5.263 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)CCCCC)[C@H]1c1cccnc1 1802500858 DDEGNKJQJOSLNU-PUHATCMVSA-N 427.633 5.296 30 20 IKED CC(C)C1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)CCC1 1823066567 FWMGWKGHIYFHNX-GCJKJVERSA-N 447.583 5.169 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccsc2)CC1 1828825413 VSIVHJGLMXQLDD-GOTSBHOMSA-N 428.642 5.069 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)Cc2ccco2)CC1 1832282049 JWQQVFMXCFUUTN-OFNKIYASSA-N 428.617 5.070 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3CC4(CCC4)C3)CC2)c1 1832635951 ZUQHZRVJPNHTIY-CPJSRVTESA-N 447.623 5.127 30 20 IKED C=C(C)C(=O)OCCCCCCOc1cc(F)c(/N=N/c2c(F)cccc2F)c(F)c1 1848350179 ZCYLDKPHFFBJKV-BYYHNAKLSA-N 438.421 6.717 30 20 IKED CN(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10754244 WVFINRZGKUVMDB-UHFFFAOYSA-O 446.930 5.023 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2cccc(CO)c2)cc1C 15247282 KQOWRTKFYYKDRW-UHFFFAOYSA-O 441.576 5.287 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1 39221701 BQFSNCXTKXIEHY-CYBMUJFWSA-N 433.364 5.557 30 20 IKED Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1C 64531688 CLHSRIFRESAGHB-MHZLTWQESA-N 439.559 6.318 30 20 IKED N#Cc1c(NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)sc2c1CCCC2 105513662 WTMADIFSOAMIQM-UHFFFAOYSA-N 449.536 5.199 30 20 IKED CC[C@H](C#N)Oc1cccc(CNCc2cn(Cc3ccccc3)nc2-c2ccccc2)c1 236900593 LLAFHZDJRXMNSV-AREMUKBSSA-N 436.559 5.569 30 20 IKED N#Cc1ccc(-c2cccc(CNc3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)c2)s1 301390198 YXFCVTLIXJEBSG-UHFFFAOYSA-N 432.505 5.043 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 409862142 NKPVKIPCPYYOBY-FQEVSTJZSA-N 427.932 5.214 30 20 IKED C=CCC[C@H](C(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1)c1ccccc1 427802237 CWJCWYPQXQFGES-GOTSBHOMSA-N 442.563 5.118 30 20 IKED Cc1nc2ccccc2n1C1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 432075760 GEONKYHNQFOAIG-QGZVFWFLSA-N 433.581 5.608 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC(c4ncc5n4CCCC5)CC3)cc2)cc1 433953692 LMJLAPHTDWKZEU-UHFFFAOYSA-N 440.547 5.098 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1nc(CC(C)(C)C)cs1)c1ccc(-c2cccc(C#N)c2)cc1 435116853 QQVBNELRQJIIEA-MRXNPFEDSA-N 446.576 5.086 30 20 IKED CCOc1cc(-c2noc(-c3ccc(C(C)(C)C#N)cc3)n2)cc(Br)c1O 436877393 OUZREYWEQJDFEN-UHFFFAOYSA-N 428.286 5.072 30 20 IKED COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 437967107 YNXJSPRCKWZLIH-BDYUSTAISA-N 441.531 5.306 30 20 IKED N#CC1CCC(CNC(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)CC1 440973566 CBZXZLNMKBLAIM-UHFFFAOYSA-N 444.457 5.409 30 20 IKED N#CC1CCC(CNC(=O)c2cccnc2SCc2ccc(Br)cc2)CC1 441149333 VZDULSCYOLSFKQ-UHFFFAOYSA-N 444.398 5.196 30 20 IKED Cc1ccc(CCN(Cc2ccco2)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 461749525 UIRQSCOSCHOHQE-UHFFFAOYSA-N 437.499 5.532 30 20 IKED C[C@@H](C(=O)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1)c1cccc(C#N)c1 462216150 ZTXHQZCQFRFOEP-MRXNPFEDSA-N 432.911 5.276 30 20 IKED C=CCN(C(=O)c1ncn(C(C)(C)C)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 463293085 CNMVAAZMCVZYBO-UHFFFAOYSA-N 436.368 5.296 30 20 IKED Cc1cc(C(F)(F)F)ncc1NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F 464671163 SCIOCRASHXKVIQ-UHFFFAOYSA-N 432.299 5.005 30 20 IKED O=C(COc1ccc(C(F)(F)F)cc1)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 464723145 DMWCBPDSUQOSJK-UHFFFAOYSA-N 447.310 5.067 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)cc1 464920857 XCJSESDFYGVHIH-UHFFFAOYSA-N 445.906 5.457 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(-c3ccncc3)ccc2C)cc1C 465452383 IJFPOCVRMDYQHR-UHFFFAOYSA-N 435.531 5.703 30 20 IKED Cc1ccc2nc(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)[nH]c2c1 466771023 DGSMQIGSCUJTQV-LJQANCHMSA-N 429.911 5.502 30 20 IKED N#C[C@H]1N(C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)CCC[C@@]12CCCCO2 468135902 IFPFKUPAXLBFSW-SQHAQQRYSA-N 445.538 5.360 30 20 IKED CCCn1ccnc1CCCN(C)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 469975946 VJLDPLCFVOLYTA-UHFFFAOYSA-N 436.943 5.315 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1nc(C(F)(F)F)cs1 472712618 OBCHSOOUILQIAY-UHFFFAOYSA-N 446.454 5.798 30 20 IKED Cc1cc(Br)c(F)cc1NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 473858781 LPTRXXPYCICJHF-UHFFFAOYSA-N 437.153 5.245 30 20 IKED CN(C(=O)c1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1Cl)C1CCCCC1 474962714 CYWMIFBBXLDQJH-LJQANCHMSA-N 437.971 5.771 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(N4CCCNC4=O)c3)cc2Cl)cc1 477400691 BMFULFZTXUCASG-UHFFFAOYSA-N 446.894 5.176 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccc(Br)cn1 477775499 SXWUUHRWBHDOFW-HNNXBMFYSA-N 436.309 5.193 30 20 IKED C=CCn1c(SC[C@H](O)COc2c(Cl)cccc2Cl)nnc1-c1cccs1 480386969 UXCKVRUMNMMQPW-GFCCVEGCSA-N 442.393 5.031 30 20 IKED C[C@@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)Oc1ccccc1Br 483648845 VUSDVSFRHDDSMQ-GJZGRUSLSA-N 448.386 5.432 30 20 IKED CCOC(=O)c1csc([C@@H]2CCCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)n1 484146624 QKTYYUGMIFXSKU-YOEHRIQHSA-N 444.582 5.083 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Oc3ccccc3F)nc2)c1 487129859 OQSVWEADWCGOOI-UHFFFAOYSA-N 429.407 5.309 30 20 IKED N#Cc1cc(C(=O)Nc2ccccc2NCc2ccc(Cl)cc2)cnc1C(F)(F)F 500177027 LWGFFYAKJDUOLP-UHFFFAOYSA-N 430.817 5.490 30 20 IKED C=CCc1cc(CNC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc(OC)c1O 500868978 LZUAYGFIRXTEOP-UHFFFAOYSA-N 435.395 5.190 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1 504014057 TUHNYKFBJNNTNE-UHFFFAOYSA-N 435.552 5.652 30 20 IKED C=CCn1c(SCc2csc(Cc3ccc(Cl)cc3)n2)nnc1-c1ccco1 508865061 NUAQFDNCOUFQLW-UHFFFAOYSA-N 428.970 5.717 30 20 IKED CCOc1ccccc1CN(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510056996 PANFPGOPFJXXJG-JOCHJYFZSA-N 433.939 6.058 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1cccs1)C[C@@H]1CCCO1 510921161 XNRUMBFYCJEZAP-QFIPXVFZSA-N 447.560 5.934 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N(Cc3ccco3)c3ccc(Cl)cc3)CC2)c(F)c1 511921823 INDUJTDNSFNCRR-UHFFFAOYSA-N 437.902 5.394 30 20 IKED C[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(Oc2cccnc2)cc1 514181189 ZLXGERSCHOLFPL-IBGZPJMESA-N 442.519 5.060 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 514205497 BRIZXHZQTLSKFV-NRFANRHFSA-N 444.522 6.045 30 20 IKED C=CCN(C(=O)[C@@H](C)SCc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 516073278 QKKITYQYZWSZDY-MRXNPFEDSA-N 439.562 5.559 30 20 IKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 517467922 AQHQLEWCZAXLHB-CABCVRRESA-N 449.498 5.115 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(NC(=O)c2cccnc2)cc1 518751518 WKQNMKKMFLOAHO-QGZVFWFLSA-N 445.548 5.050 30 20 IKED CSc1cc2c(cc1NC(=O)c1ccc(Oc3cccc(F)c3C#N)cc1)OCCO2 520731528 NOELRUINXKYMMC-UHFFFAOYSA-N 436.464 5.235 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCCOc1cccc(C#N)c1 521087030 JWSNDZRVKYRUJH-UHFFFAOYSA-N 426.476 5.113 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 521420677 OJKJRYVNTKDNHN-HXUWFJFHSA-N 440.547 5.492 30 20 IKED CC(C)(CNC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1Cl 522682398 MGZCRGMZHMNKID-UHFFFAOYSA-N 434.783 5.283 30 20 IKED O=C(Nc1ccc(OC(F)F)c(Cl)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 522713670 LNWUHWWZBBEBSE-UHFFFAOYSA-N 426.691 5.290 30 20 IKED COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)Nc2ccn(CCC#N)n2)cc1 522728981 DDZODPHQWADKJP-HTXNQAPBSA-N 449.514 5.093 30 20 IKED Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 524131341 OBZDFZXBHXIKCA-LPHOPBHVSA-N 449.605 5.420 30 20 IKED COc1cc(C#N)ccc1OCC(=O)N[C@H](c1ccc(Cl)cc1)c1ccccc1Cl 525397784 SZNRJSXEFVZJMN-HSZRJFAPSA-N 441.314 5.158 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)cc1 525654854 KEAMXZGSQFXKLN-UHFFFAOYSA-N 439.427 5.029 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@H](OC2CCOCC2)c2ccccc2)cc1F 533956219 FVEADAMWUHBNPS-RUZDIDTESA-N 446.478 5.365 30 20 IKED C=C[C@H](CC(=O)N1CCC[C@H]1c1ccccc1I)c1ccccc1 534685717 DGSTZGZDKAECIC-UZLBHIALSA-N 431.317 5.315 30 20 IKED CC(C)N(C)CC1CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 536425834 HJBPNZYMLPLQBZ-UHFFFAOYSA-N 425.960 5.196 30 20 IKED C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nnc1SCC1(C#N)CC1 537557303 KBGFGDJGOQDVTK-XLAORIBOSA-N 426.561 5.389 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C 539424555 MOXIUXSMYXMZCZ-ZAEZVXHUSA-N 428.001 5.517 30 20 IKED O=C(Cc1coc(-c2ccc(F)cc2)n1)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 540621584 KTDFIVUZRSTBTK-QGZVFWFLSA-N 446.322 5.462 30 20 IKED C[C@@H]1COc2ccccc2CN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 542016914 MSNGQOQCUVPJRB-LJQANCHMSA-N 427.504 5.147 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)n1 543887187 HRVPTHXPRVBDRR-UHFFFAOYSA-N 442.910 5.200 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc([C@@H]3CCCc4ccccc43)no2)CC1 546995691 LGVGMLMXTQXMOQ-LJQANCHMSA-N 441.491 5.041 30 20 IKED C=C(C)[C@H](NC(=O)N[C@@H](c1cncc(Br)c1)C1CC1)c1ccc(F)c(F)c1 551295475 VOYVPCSGHCGMJV-RBUKOAKNSA-N 436.300 5.190 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 553085338 STTQSWVWJBDCQF-UHFFFAOYSA-N 446.522 5.597 30 20 IKED Cc1cccc(O[C@H](C)c2nnc(N3CCC(C)(C#N)CC3)n2CCc2ccccc2)c1C 555195587 HSZXCOYCIBLVGX-JOCHJYFZSA-N 443.595 5.408 30 20 IKED C[C@H](SCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1Br 557561057 NSFDVSIDTQWODP-CABCVRRESA-N 449.439 6.276 30 20 IKED Cc1csc(-c2cccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)c2)n1 558943146 PRIHMMWYYNUFJN-UHFFFAOYSA-N 441.581 6.535 30 20 IKED Cc1c(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)sc2ccc(C#N)cc12 559350739 SDYXTJBGPJHYLH-UHFFFAOYSA-N 437.524 5.537 30 20 IKED N#Cc1ccc(CNc2ccc(CC(=O)N3CCc4ccccc43)cc2)c(C(F)(F)F)c1 564378112 KIVZQRQPFMVNEF-UHFFFAOYSA-N 435.449 5.321 30 20 IKED N#Cc1ccc(NCc2cccc(-c3nc(CC(F)(F)F)no3)c2)c(Br)c1 573769804 FKSYJEAMDMLLGO-UHFFFAOYSA-N 437.219 5.088 30 20 IKED O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)N(CCC(F)(F)F)CC1CC1 580135775 RAOWLHITWDQJFG-UHFFFAOYSA-N 438.347 5.227 30 20 IKED CSc1nc(C2CC2)cc(-c2nc(Cc3ccc(Br)s3)no2)c1C#N 581691654 JGOKTAGCLDIQDQ-UHFFFAOYSA-N 433.356 5.017 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2n[nH]c(/C=C\c3ccccc3)n2)c1 598953308 RCDCGIBDHXPEIN-GDWUOILNSA-N 431.565 5.019 30 20 IKED Cc1cccc([C@H](CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)NC(N)=O)c1 603758984 QPDRMUFRWBBHBQ-GMAHTHKFSA-N 446.938 5.042 30 20 IKED COc1cccc([C@@H](CNc2nc3c(cc2C#N)CCC3)c2c[nH]c3ccccc23)c1OC 603837360 LLUBBOIWSUPHIA-JOCHJYFZSA-N 438.531 5.184 30 20 IKED CCOC(=O)c1c(C2CC2)csc1NC(=O)c1ccc(COc2ccccc2C#N)o1 603947146 AXRMASUAUWEFKP-UHFFFAOYSA-N 436.489 5.098 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnnn2-c2ccccc2Cl)cc1Cl 604528288 QHVXWJBMKWZURF-SFHVURJKSA-N 448.313 5.482 30 20 IKED COc1cc(CNCc2cccc(C#N)c2)ccc1OCc1ccc(Cl)cc1Cl 608982268 KINOEHAAOZIKOL-UHFFFAOYSA-N 427.331 5.742 30 20 IKED Cc1cccc2c1CC[C@@H]2NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609256392 XHFPYCHAQXDBQC-VWNXMTODSA-N 443.934 5.046 30 20 IKED C[C@@H](C#N)CSc1ccccc1N[C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 609387063 ISFMTHLGURFEQX-JKSUJKDBSA-N 446.414 5.160 30 20 IKED CN(C(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@@H]1CCCN(c2ccccc2)C1 609665740 URFWNPCIAKBXKP-XMMPIXPASA-N 441.600 5.592 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cc3c(cc2Cl)OCCO3)c1 609722165 IECHFDFRTASLSJ-UHFFFAOYSA-N 441.270 5.681 30 20 IKED CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 609811190 TUJQSYTYGSGNIG-AVRDEDQJSA-N 442.629 5.116 30 20 IKED C[C@@H](c1ccc(C#N)cc1)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 609823619 XLCSBMYZZYPMBP-LVXARBLLSA-N 430.596 5.808 30 20 IKED CC(C)(CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(F)c1 609826509 BIXZIEJYQGDSSZ-UHFFFAOYSA-N 431.511 5.570 30 20 IKED CCC[C@@H](NC(=O)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C1CCCCC1 609943924 DCTXINBTGNSXJB-XMMPIXPASA-N 447.579 5.135 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F 610167086 SPKLMSXDWFDPSL-PXAZEXFGSA-N 427.879 6.159 30 20 IKED C[C@@H]1CN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c2ccccc2N(C)C1=O 610192520 FOCPUHAONOPJFP-MRXNPFEDSA-N 445.906 5.263 30 20 IKED C[S@@](=O)c1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 610629207 OGYRQKHADSENQA-URAOTHONSA-N 437.952 5.055 30 20 IKED COc1cccc(CC(=O)N2CCc3ccc(N[C@H]4CCCc5cc(C#N)ccc54)cc32)c1 611482625 PSOOIIPGCZCIJE-SANMLTNESA-N 437.543 5.188 30 20 IKED COc1cc(C#N)ccc1NC(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 613302350 WLTJOJQJCUCPPG-OAHLLOKOSA-N 442.235 5.145 30 20 IKED C[C@H](c1cc(F)ccc1F)N(C)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 616090252 SISNFPWSENOPDO-DCQANWLSSA-N 432.355 5.577 30 20 IKED O=C([C@H]1CCCCC1(F)F)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517868 QEEQTLNVPNKPAE-CABCVRRESA-N 445.350 5.450 30 20 IKED O=C(NCCCCOc1ccc(F)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642671899 VAYLNBULGFMFOL-NHAGDIPZSA-N 444.391 5.193 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1 656855832 BRVBLTFEKNMPQJ-UHFFFAOYSA-N 440.568 5.586 30 20 IKED FC(F)(F)c1ccc(-c2n[nH]cc2CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 683827142 MRACTWOETYJYFH-ZIAGYGMSSA-N 445.329 5.658 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)[nH]c2C)[n+]2ccc(C(C)(C)C)cc2)c1 726572688 JJLFRFAOKKKSMP-UHFFFAOYSA-O 430.597 5.521 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)cc2Cl)[n+]2ccccc2)c1 726573582 KYJYCQQPHZZAKH-UHFFFAOYSA-O 426.348 5.586 30 20 IKED N#CCCCOc1cccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)c1 726736408 JOAJVBAIQPBXDQ-UHFFFAOYSA-N 432.336 5.105 30 20 IKED C[C@@H](NC(=O)CON=Cc1cccc(OCc2ccncc2)c1)c1ccc2ccccc2c1 727435099 PNRHRDZFISUJSQ-HXUWFJFHSA-N 439.515 5.042 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4cccc(C(F)(F)F)c4)CC3)n2)cc1 727632041 NQPXNMWTQLTNJD-GOSISDBHSA-N 442.462 5.746 30 20 IKED COc1ccc2oc(C(=O)/C=C\c3csc(N(C(C)=O)c4ccc(C)cc4)n3)c(C)c2c1 729151749 XDUDSNIDCGLSNB-XFFZJAGNSA-N 446.528 6.095 30 20 IKED Cc1ccnc2sc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)c(C)c12 731075233 XMXUZOBXEFKXQJ-AWEZNQCLSA-N 439.562 5.103 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 731108095 GZKPVKKRGUEXOC-DEOSSOPVSA-N 434.536 5.265 30 20 IKED N#C[C@H](C(=O)CCCSc1ccc(Br)cc1)c1nc2ccccc2s1 731135716 IPYBIWPYRBFCGT-OAHLLOKOSA-N 431.380 5.808 30 20 IKED C=CCn1c(SCc2ccc(OCC#N)cc2)nc2cc(-c3ccccc3)sc2c1=O 731156378 RBAFESFVSPHUGC-UHFFFAOYSA-N 445.569 5.506 30 20 IKED C[C@@H](OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nnc(-c2ccccc2)o1 732377420 LRQLOPJBXPUFKT-QGZVFWFLSA-N 425.444 5.513 30 20 IKED N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1ccc(Oc2cccc(Br)c2)cc1 732900653 TUQHJSDALJEZJP-HXUWFJFHSA-N 441.325 5.013 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)O[C@H](C)c1sc(-c2ccccc2)nc1C 733071969 KCLRCMBOEOYQDG-QGZVFWFLSA-N 436.533 5.462 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)ccc1OC 733657873 PEFBSHZLQYIUAP-KBXCAEBGSA-N 448.350 5.170 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H]2c2cccc(Br)c2)c1 733806449 ZKTYHJBHDIURIG-TZIWHRDSSA-N 442.357 5.177 30 20 IKED C=CCOc1c(Br)cc(CN[C@H](C)c2nc3ccccc3s2)cc1OCC 734164095 JQYORJQHDIJANC-CQSZACIVSA-N 447.398 5.873 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)ccc21 734705422 DZIYPBZVFUPRDH-HNNXBMFYSA-N 448.832 5.251 30 20 IKED C[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1cccc(C(F)(F)F)c1 739161071 XEWDCYLWNSAWMG-IFXJQAMLSA-N 439.462 6.071 30 20 IKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C(C)C)C2CCC2)ccc1Cl 740789069 BXDGFAIGEAWTIS-UHFFFAOYSA-N 447.000 5.124 30 20 IKED C[C@](O)(CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccsc1 741060330 CGCHAFRBEHVMIP-UGKGYDQZSA-N 425.941 5.086 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1nc(-c2ccncc2)cs1 741437870 KNEMNGFQMZWHAX-HRCADAONSA-N 429.423 5.084 30 20 IKED CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 742303370 IOCQIFBXQAFOOB-HSZRJFAPSA-N 433.552 5.318 30 20 IKED CSc1cccc([C@H](NC(=O)Nc2cccc(OCC#N)c2)c2ccc(F)c(F)c2)c1 743102618 JQICUQVQJZZFEJ-QFIPXVFZSA-N 439.487 5.500 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)c1 743449060 HMYPISOTSPMPLM-HNNXBMFYSA-N 430.316 5.387 30 20 IKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1CCCC(F)(F)F 743731177 MDBZFMMGOWNDKQ-GOSISDBHSA-N 449.498 5.298 30 20 IKED CC[C@H](Oc1ccccc1Cl)C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 749028127 HWASBYFUBUYNLR-LPHOPBHVSA-N 426.925 5.506 30 20 IKED CC(C)Oc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)cs2)cc1 749337550 FKFIWBWVEVANKO-SFHVURJKSA-N 439.924 5.212 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccccc2OC)cc1C#N 752305860 RDZPPDDSDQJJED-QHCPKHFHSA-N 444.491 5.046 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](OCCCc3ccccc3)C2)cc1 752636501 LTYLKSIDPBKKIL-KAYWLYCHSA-N 439.559 5.598 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N(Cc1ccccc1)C[C@H](O)c1cccs1 755787906 PWIYMEXRJPYLII-NRFANRHFSA-N 435.549 5.175 30 20 IKED Cc1ccc(N(CCC#N)C(=O)CNc2cccc(NC(=O)c3ccccc3)c2C)cc1C 759770655 QRKGQLORACDPBG-UHFFFAOYSA-N 440.547 5.223 30 20 IKED C[C@H](c1ccccc1)n1c(SC[C@@H](O)c2ccc(C#N)cc2)nnc1-c1ccccc1 763231576 NZJQTXRXQKXDOF-WZONZLPQSA-N 426.545 5.252 30 20 IKED COC(=O)C(C)(C)[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 765907424 IUVJACDVTGILAU-RPWUZVMVSA-N 441.531 5.404 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)C[C@@H](O)c2ccc(F)cc2)cc1 766009324 UCCXHGWHLALGAG-KSFYIVLOSA-N 449.482 5.132 30 20 IKED COc1cccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2SCC2(C#N)CC2)c1 766782007 DQYPRDBKBINWDB-XKZIYDEJSA-N 431.561 5.599 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCC1 770440011 AAKYTCANWFNRRZ-QFBILLFUSA-N 446.617 5.286 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC=C(c4ccc(Cl)nc4)CC3)cc2)cc1 774039302 LWAVEWCNNYFTLN-UHFFFAOYSA-N 430.895 5.720 30 20 IKED Cc1nc(-c2ccc([C@@H](C)NCC3=CC(=O)n4c(nc5ccccc54)[C@@H]3C#N)cc2)cs1 775140313 YCNZSQPKNOBNTE-FOIQADDNSA-N 439.544 5.006 30 20 IKED N#Cc1c(F)cccc1C(=O)OCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 778376274 XTUQHGLGSRVZSG-UHFFFAOYSA-N 438.867 5.337 30 20 IKED CC(=O)N1C/C(=C/c2csc(-c3ccc(C(F)(F)F)cc3)n2)C(=O)c2ccccc2C1 778518939 CTBIOJXPOGSJBM-YVLHZVERSA-N 442.462 5.457 30 20 IKED CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 778619865 ZRUDICATXUQFHJ-DYVFJYSZSA-N 447.507 5.054 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C/c2scnc2C2CC2)C(=O)c2ccccc2)c(Cl)c1 782313167 NPVMLCMANBWBJS-LDADJPATSA-N 436.964 6.196 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 782580760 FUQJGHWEJAQTOD-HXUWFJFHSA-N 431.561 5.022 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)Nc1cccc(COc2ccccc2)c1 783494775 OBFDSKSNTGMZJQ-SFHVURJKSA-N 445.544 5.237 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)Cc1ccccc1C(F)(F)F)c1ccc(Cl)cc1Cl 787048433 GSHCLICVHPGTBG-NHYWBVRUSA-N 443.252 5.141 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 787137015 GUHVYPWMMKLTLL-BFHYXJOUSA-N 434.970 5.081 30 20 IKED C=CCN(Cc1cccs1)C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 790665624 IISQCMZPQSKSLL-UHFFFAOYSA-N 443.306 5.099 30 20 IKED Cc1cc([C@H](OC(=O)c2ccccc2OCC#N)C(F)(F)F)ccc1Br 792779660 AGVSSLCISCTZNK-INIZCTEOSA-N 428.204 5.120 30 20 IKED CC(=O)N(c1nc(/C=C2\CC(C)(C)c3ccccc3C2=O)cs1)c1ccc(F)cc1F 794969103 QXXHOHXJABLODN-XNTDXEJSSA-N 438.499 6.054 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccsc3)N([C@@H]3CC[C@H]3C)C2=O)c1 795182663 LKSRDTSMHDDWCH-LZQZEXGQSA-N 427.595 5.124 30 20 IKED CCc1ccc(N(C(C)=O)c2nc(COC(=O)c3ccc(C(C)(C)C#N)cc3)cs2)cc1 796042305 FMYUWLHKWJANMW-UHFFFAOYSA-N 447.560 5.548 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2C[C@@H](C)CC[C@H]2c2ccccc2OC)cc1C#N 806364405 VUSFAKNQUXAEPG-KKSFZXQISA-N 436.512 5.140 30 20 IKED N#Cc1cccc(-c2nnc(CNc3cc(Cl)ccc3C(=O)c3ccc(F)cc3)o2)c1 809194641 FOWVQTNOKHHQCH-UHFFFAOYSA-N 432.842 5.244 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 810821705 MIWHMJYNBOKUFM-UHFFFAOYSA-N 430.464 5.345 30 20 IKED COc1ccc(-c2csc3ncnc(NN=C(C)c4cc(F)c(N)c(F)c4)c23)cc1 814761858 XZBMMEZOZNHMPJ-UHFFFAOYSA-N 425.464 5.063 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1OC(C)C 915352263 GPZSSIIAJLSBOV-NTKDMRAZSA-N 443.547 6.021 30 20 IKED O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NN=Cc1ccc(CSC(F)F)o1 916239040 LYYBVDFIKGGNRS-UHFFFAOYSA-N 440.306 5.017 30 20 IKED Cc1csc([C@H](C#N)C(=O)[C@H](Oc2ccccc2Br)c2ccccc2)n1 916843664 AXFLWNFZOBXVCH-DNVCBOLYSA-N 427.323 5.211 30 20 IKED Cn1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(Cl)c2ccccc21 916886372 GHAVEQPZJLTUQE-AWEZNQCLSA-N 433.867 5.108 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1ccc2ccccc2c1)C(=O)Nc1cc(Cl)cc(Cl)c1 916944706 LIFCYSFDFABLBM-FQEVSTJZSA-N 439.298 5.457 30 20 IKED N#C[C@@H](C(=O)C1(c2cccc(Br)c2)CC1)c1nc2cc(Cl)ccc2s1 917045833 ASRRQLLNSNOMBE-AWEZNQCLSA-N 431.742 5.620 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(N4CCOC4=O)cc3)cc2Cl)cc1 917875835 CFAVETGBTXFBLL-UHFFFAOYSA-N 433.851 5.213 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc4ncccc4c3)C2)CC1 1806393091 ZXPWZMTYBKGQGZ-UHFFFAOYSA-N 447.623 5.001 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)cc(C)c2)[C@@H]1c1cccnc1 1811878802 SSKMBSOVEZQTFQ-VWNXMTODSA-N 433.596 5.010 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3occc3c2)CC1 1828827982 AWJGQZWEMABJIT-DNQXCXABSA-N 434.580 5.435 30 20 IKED CC1(C)CCC(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)CC1 1829958425 IELLMLDCRROVBJ-VWLOTQADSA-N 449.639 5.398 30 20 IKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3)CC2)c1 1830028169 XJRGQFSLGSQOEZ-XMMPIXPASA-N 449.982 5.067 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)c(OC)c2)CC1 1830068184 VKFWYNSHGAPUGX-BJKOFHAPSA-N 438.612 5.005 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCc3ccccc32)CC1 1831974782 OVYJTNXJEXRTIB-UIOOFZCWSA-N 434.624 5.105 30 20 IKED CC[C@H](C)[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C#N)CCC2)CC1)c1ccccc1 1832784148 VPBJGJRPIVUQFC-FTBPSBKWSA-N 449.639 5.130 30 20 IKED C=C(C)CSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccc(Cl)c(OC)c1 8759859 KTAPXKIOWMWMFP-ODLFYWEKSA-N 428.941 5.410 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccccc2CC)cc1 10174363 BKFYOUMCMKDPGK-UHFFFAOYSA-O 431.625 6.273 30 20 IKED C=CCn1c(C)nnc1S[C@@H](C)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 21140601 AANIFQPFPRVLFF-HNNXBMFYSA-N 446.523 5.145 30 20 IKED Cc1ccc(-n2c(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nnc2-c2cccc(C)c2)cc1 22137198 GLULFRKUWGNNPH-DFBJGRDBSA-N 447.608 5.086 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)NCCc1ccccc1 22735308 MMHIGNFZRWEWKE-UHFFFAOYSA-O 430.018 5.023 30 20 IKED CCOc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(CC#N)cc2)cc1OCC 26084076 CZICUXRVKRIAKJ-UHFFFAOYSA-N 428.488 5.033 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Oc2ccccc2OC)c(F)c1 63394375 WQWSHVOXTBYWKH-UHFFFAOYSA-N 431.467 5.718 30 20 IKED C[C@H](NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1cccc(C(F)(F)F)c1 219399250 YHSPPZBKEQRPRZ-NSHDSACASA-N 445.338 5.540 30 20 IKED N#C[C@@H](NC(=O)Cc1ccc(OC(F)(F)F)cc1)c1ccc(OCc2ccccc2)cc1 303303603 ZHCAFIHAULFIRH-JOCHJYFZSA-N 440.421 5.088 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)o1 303309801 QPPOEEYOMWMSTA-CYBMUJFWSA-N 444.969 5.373 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC(C(F)(F)F)(C(F)(F)F)C3)c2)cc1 303651982 FCQBSPZGZOAGDF-UHFFFAOYSA-N 428.332 5.307 30 20 IKED C[C@H](c1ccccc1)N1CCC(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 303686327 LMNKJXNZSRKYJX-OAQYLSRUSA-N 439.559 5.093 30 20 IKED C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1nc(-c2ccccc2)cs1 410293714 LISVBINCTNOMHF-MRXNPFEDSA-N 429.501 5.345 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(SCc3cccnc3)cc2)c1-c1ccccc1 428274359 HYQWFTDCHNOWKK-UHFFFAOYSA-N 439.544 5.403 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1 435612531 GLIMMQINMXRIFH-NSHDSACASA-N 446.401 5.046 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1cccc(CSc2ccccn2)c1)c1ccccc1 435732949 SLEDMCISAHBHMO-JOCHJYFZSA-N 431.561 5.136 30 20 IKED CCC(CC)c1cc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)on1 437946589 JSHIKKKTVVMIJS-UHFFFAOYSA-N 436.487 5.490 30 20 IKED N#Cc1cc(NC(=O)NC[C@H]2CCC[C@@H](O)C2)ccc1Oc1ccc(C(F)(F)F)cc1 438548731 XIXOPXPWPAYIDT-KBXCAEBGSA-N 433.430 5.042 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(O)cc2C)nnc1-c1ccc(Cl)cc1Cl 439263086 YNNXFOSJEMXJPB-UHFFFAOYSA-N 449.363 5.183 30 20 IKED CCCc1c(NC(=O)Nc2cnn([C@@H](C)CC)c2C2CC2)cnn1-c1cccc(C#N)c1 439683807 IXBCLKCOKMIVEH-INIZCTEOSA-N 431.544 5.385 30 20 IKED N#Cc1cc(NC(=O)C(=O)Nc2cccc(CSCc3ccccc3)c2)ccc1Cl 440905019 XAQHBMJKZOYSBS-UHFFFAOYSA-N 435.936 5.222 30 20 IKED CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 441230755 LUGQMWLFKJGFGZ-PZJWPPBQSA-N 437.609 5.198 30 20 IKED CCOc1c(Br)cc(Cl)cc1NC(=O)c1cc(-c2cccc(C#N)c2)no1 447437730 FEKABEZQWKLSEK-UHFFFAOYSA-N 446.688 5.280 30 20 IKED C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H]1c1nc2ccccc2s1 460391010 XQFWRLKOFMPOHI-IBGZPJMESA-N 449.555 5.524 30 20 IKED C[C@H](C(=O)N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21)c1cccc(C#N)c1 463773188 BVOSZLNQBOQKRS-KRWDZBQOSA-N 442.494 5.424 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCO[C@H](c4cccc(Cl)c4)C3)c2)c1 466308913 RBMVMZUOOWPWBQ-DEOSSOPVSA-N 432.907 5.004 30 20 IKED CCO[C@@H]1C[C@@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C12CCCC2 466434664 SJYSREKIEDKINO-DNQXCXABSA-N 433.552 5.191 30 20 IKED CCn1nccc1C1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 469217795 VQKALKZFGQZHIV-UHFFFAOYSA-N 434.927 5.240 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 475574066 VIWOWHVVNUBPDB-JOCHJYFZSA-N 430.552 6.348 30 20 IKED Cc1nn(-c2ccc(Br)cc2)c(NC(=O)C[C@H](CC#N)c2ccccc2)c1C 476096091 RJJHMVGOAOLHSX-SFHVURJKSA-N 437.341 5.278 30 20 IKED N#CC[C@@H](CC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 476168332 WRTBGGYOGATJQX-SFHVURJKSA-N 444.362 5.258 30 20 IKED C=CC1CCN(C(=O)NC[C@H](c2ccc(OCC)c(OC)c2)c2c[nH]c3ccccc23)CC1 476407272 PDTHIPAZQDMSSG-JOCHJYFZSA-N 447.579 5.315 30 20 IKED CCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 476667502 XPMNZZBKYRSUTN-UHFFFAOYSA-N 435.846 5.006 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(F)c(I)c1 477118986 ZWPGNZJQSXWEJO-NSHDSACASA-N 440.281 5.077 30 20 IKED Cc1nc(-c2ccc(CCNC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)s2)cs1 480596266 DJGQTCOVMQXTPF-UHFFFAOYSA-N 438.622 5.462 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CC(C)C)[C@@H]2CCCc3cccnc32)cc1 480849628 ZPYASSFOOJZQAV-XMMPIXPASA-N 446.595 5.463 30 20 IKED CC(C)c1ccc([C@H]2CCCCN2C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)cc1 480996629 DWYNRCNLDRNBKY-FDDCHVKYSA-N 439.581 5.255 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)c1C#N 481505726 MFDAOQAHZXCEJL-UHFFFAOYSA-N 429.549 5.005 30 20 IKED CN(Cc1ccc(F)c(F)c1)C(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 482370786 IVXRXFFMPRKZTH-OAHLLOKOSA-N 426.307 5.429 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1nccc2ccccc12 483214927 YYWRMLCQZKLKDQ-FQEVSTJZSA-N 444.288 5.675 30 20 IKED C=C(C)Cn1c(SCC(=O)N(Cc2ccc(F)cc2)C(C)(C)C)nnc1-c1ccco1 484329365 AONDFDYQFSTSEE-UHFFFAOYSA-N 442.560 5.173 30 20 IKED Cc1cc(=O)c(-c2noc(-c3cccc(Oc4ccc(Cl)cc4C#N)c3)n2)c2n1CCC2 485369433 FYDBRNSDAJYDSN-UHFFFAOYSA-N 444.878 5.137 30 20 IKED C=C(C)Cn1c(S[C@@H](C)c2nc3ccccc3n2C(F)F)nnc1-c1ccncc1 489391754 BGYTYNHVMDCZBD-AWEZNQCLSA-N 426.496 5.514 30 20 IKED Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1 494004197 HZHKFFBOYRRDLG-OAQYLSRUSA-N 431.952 5.518 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CCOC4(CCCCC4)C3)c2)cc1 494238065 OTJZHGNJTJCJBU-HSZRJFAPSA-N 433.552 5.335 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(C[C@H](C)c2ccccc2)o1 499336232 REXTXUHVUFIPOL-INIZCTEOSA-N 425.579 5.425 30 20 IKED N#C[C@@H](NC(=O)c1cccc(OCc2cccs2)c1)c1ccc(Br)cc1 499391899 CECJDVYZIZLENE-LJQANCHMSA-N 427.323 5.084 30 20 IKED COc1ccccc1N1CCC(NC(=O)c2ccccc2Sc2ccccc2C#N)CC1 500273179 SSVZSJZCPGKNSJ-UHFFFAOYSA-N 443.572 5.117 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 507829235 XUZLZMCWWOPMNK-SFHVURJKSA-N 443.547 5.923 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1 508272502 HXUYTQBBMJJKJI-JOCHJYFZSA-N 447.922 6.382 30 20 IKED N#Cc1cccc(F)c1CC(=O)N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21 511626426 IWZUKDWWTZSENH-UHFFFAOYSA-N 446.457 5.002 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1nc2cc(Cl)ccc2s1 512980631 JPOYKCBCHZEBKV-OAHLLOKOSA-N 440.311 6.280 30 20 IKED C=CCN(C(=O)CCc1cccc(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 516464507 KLSKTIMKUIBMSI-UHFFFAOYSA-N 427.913 5.524 30 20 IKED C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 516841936 YIIZPRMKZIFCSD-GOSISDBHSA-N 444.556 5.330 30 20 IKED C[C@@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)NC(=O)c1ccccc1 517097972 HRNKXVCBUNCGRC-INIZCTEOSA-N 433.895 5.151 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 518331598 UYWDZZUGZREOJN-DEOSSOPVSA-N 445.588 5.946 30 20 IKED Cc1ccc(OC2CCN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CC2)cc1C 518885445 PQOLOEHBCKHPRT-UHFFFAOYSA-N 427.504 5.046 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1ccccc1Br 519416063 BPNFECIMBGMWOS-HUUCEWRRSA-N 449.439 6.134 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 519515381 GBBNDBWCQKYPFP-AWEZNQCLSA-N 426.929 5.356 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCCOc1cccc2ccccc12 520817617 GWTTUMDHYKDFTJ-SFHVURJKSA-N 436.602 5.842 30 20 IKED CC(=O)Nc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c(Cl)c1 522640521 MRSAUMGVYXINRU-UHFFFAOYSA-N 440.286 5.868 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)CSCc1ccc(C#N)cc1 523125820 OYGIWQRPWRDYSO-UHFFFAOYSA-N 444.535 5.431 30 20 IKED Cc1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c(OC[C@@H]2CCCO2)c1 523158365 ZRFLYVGZTULWAG-QHCPKHFHSA-N 427.504 5.420 30 20 IKED CC(C)c1noc(-c2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)cc2)n1 524378492 VRMPFRIKSLSCJG-UHFFFAOYSA-N 428.448 5.156 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(Cl)c2c(c1)OCCCO2 524392669 XICQUGJLQJPZBI-UHFFFAOYSA-N 448.906 5.513 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC(Oc2ccccc2Cl)CC1 533148152 UJJHDMVJYOQXAB-KRWDZBQOSA-N 444.000 5.074 30 20 IKED CC(=O)N(Cc1ccc(NCc2cccc(OCc3ccccc3C#N)c2)cc1)C1CC1 533220050 CTIVKGVYNHQPJY-UHFFFAOYSA-N 425.532 5.260 30 20 IKED CCN(C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C)c1ccc(C#N)c(Cl)c1 533673706 FIOVJVKCWXTJAP-UHFFFAOYSA-N 433.899 5.464 30 20 IKED C=CCN(C(=O)c1ccc(Cl)c(OC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 535421281 YBPNWNUWJQMQIG-UHFFFAOYSA-N 429.885 5.213 30 20 IKED CC[C@@H](NC(=O)c1ccccc1Oc1ccccc1C#N)c1nc(C(F)(F)F)cs1 537558471 GEUFRDOUAADTFM-OAHLLOKOSA-N 431.439 5.707 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N(c3cccc(F)c3)C3CCOCC3)c2)cc1 538519856 GIRQWDKAQALUPR-UHFFFAOYSA-N 430.479 5.102 30 20 IKED N#C[C@H](C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1)c1nc2ccccc2s1 540083169 XMBTWQGWAUEHTQ-CYBMUJFWSA-N 427.407 5.276 30 20 IKED C[C@H](NCc1cnc2ccc(Br)cn12)c1ccc(-c2cccc(C#N)c2)cc1 543875207 OFBNWTHHWVGDJH-INIZCTEOSA-N 431.337 5.486 30 20 IKED COc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1OC(C)C 544891737 KNAHFDIKBFZPAE-UHFFFAOYSA-N 447.510 5.727 30 20 IKED C=C(C)[C@H](NC(=O)N(C)Cc1ccc(OC(F)F)c(OC)c1)c1ccc(F)c(F)c1 547482372 VXLMNEUGUJATBF-IBGZPJMESA-N 426.410 5.034 30 20 IKED N#CC1(c2ccccn2)CCN(Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 548791838 XUNQMUFLIDDKKU-UHFFFAOYSA-N 437.522 5.131 30 20 IKED CC(C)(C)n1cc(CN2CCC(C#N)(c3ccccn3)CC2)c(-c2ccccc2Cl)n1 548858661 XKPDZNMWKMYNMT-UHFFFAOYSA-N 433.987 5.411 30 20 IKED N#CC1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@H]2CCCCO2)CC1 549619773 OOILFJCPSVXHOB-MRXNPFEDSA-N 441.988 5.122 30 20 IKED Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(c2c(C#N)cnc3c(F)ccc(Cl)c23)C1 553346222 ZNRHGOFDBDXGNL-NSHDSACASA-N 437.828 5.035 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1nnc(-c2cccc(C#N)c2)o1 556511387 VPNJCNWMKUDTMN-UHFFFAOYSA-N 440.347 5.278 30 20 IKED CN(Cc1cccc(C#N)c1)c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1Cc1ccccc1 558925979 LFQHTMLDDDXTHM-UIOOFZCWSA-N 449.558 5.080 30 20 IKED CCCCS(=O)(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 559988961 IXTXLZHVNJZVRE-FQEVSTJZSA-N 438.574 5.182 30 20 IKED N#Cc1ccnc(Sc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)c1Cl 561099850 QFDLDIKKZPSKDW-UHFFFAOYSA-N 425.304 5.054 30 20 IKED COc1ccccc1-c1noc(C2CCN(Cc3ccc(C#N)cc3C(F)(F)F)CC2)n1 570736065 IZHGSADSIRTTQZ-UHFFFAOYSA-N 442.441 5.015 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)Nc1cccc(-c2ccc(F)cc2Cl)n1 578921806 ZPLFPHZBHZQCCB-UHFFFAOYSA-N 436.874 5.160 30 20 IKED N#C[C@H](C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1nc2cc(F)ccc2s1 592974635 VZBYHUZYHNYIEP-GOSISDBHSA-N 433.439 5.317 30 20 IKED CCOc1ccc(C(=O)CCC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1OCC 595471525 RXQNXDIUCIVLIW-KRWDZBQOSA-N 449.334 5.135 30 20 IKED O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1ccn(-c2cccc(C(F)(F)F)c2)n1 606200113 ZGFOYWXNRXWMOS-UHFFFAOYSA-N 447.310 5.224 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1nc(-c2ccccc2)cs1 606754283 QZHJHPPBXCLXHD-QGZVFWFLSA-N 438.434 5.505 30 20 IKED CCc1c(C)sc(NC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)c1C#N 609032610 UBHDOLVIOWJKRI-UHFFFAOYSA-N 430.533 5.278 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nncn1[C@H](C)c1ccccc1 609371499 LYCMELSMIGSQFN-IAGOWNOFSA-N 437.594 5.012 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(CN2CCCCCC2)cc1 609435341 HOJYQDLXWMSELA-FQEVSTJZSA-N 436.625 5.779 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(-c4nc5ccccc5[nH]4)c3)cc2)nc1 609497298 BJDDFIBCUXBGSV-UHFFFAOYSA-N 431.455 5.541 30 20 IKED CC[C@H](C)[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1nc2ccccc2[nH]1 609500858 JFRHNGKYKXCGON-HJPURHCSSA-N 425.492 5.139 30 20 IKED CCCCOc1ccc([C@@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1OC 609500937 SNEKMZZHLPWTSI-GOSISDBHSA-N 445.519 5.424 30 20 IKED CCCCN(C(=O)c1ccc(C#N)nc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 609640298 AAMGTCKMDNGGGP-UHFFFAOYSA-N 431.348 5.830 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)cc1 609826842 FOHNGORKGKKLET-JPYJTQIMSA-N 437.540 5.322 30 20 IKED C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 609927776 LWXHZGWOXJCQEA-XXBNENTESA-N 443.522 5.881 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@@H](CCO)c3ccccc3)cc2Cl)c1 610142527 WJNBLKVCNKIXBS-OAQYLSRUSA-N 449.938 5.078 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 610632499 GZDVDRVZYRYHDB-SDDRHHMPSA-N 425.398 5.285 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCC(OCc4ccc(F)cc4)CC3)c2)c1 611261945 YBQNDYWSONMMMK-UHFFFAOYSA-N 444.506 5.098 30 20 IKED N#CCc1ccc(NC(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)cc1 612556079 UUVLQGMBEGRMRI-MRXNPFEDSA-N 426.236 5.330 30 20 IKED CC(C)c1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nn1C(C)(C)C 613319684 LCLXXQPEKSDWIW-MRXNPFEDSA-N 426.973 6.028 30 20 IKED C=CCn1c(SCC(=O)N2CCC[C@H]2C2CCCC2)nnc1-c1ccc(Cl)cc1 615199752 ZMAMVYWKGGUYQD-IBGZPJMESA-N 431.005 5.058 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nnc1-c1cccc(C)c1 617940196 FKLIDXHNUVVIII-QZTJIDSGSA-N 446.576 5.544 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)nnc1-c1ccc(F)cc1 643094034 RBENUGDSSCBKLP-AWEZNQCLSA-N 439.491 5.621 30 20 IKED N#C[C@@H](C(=O)c1ccc(COC(F)(F)F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 684631085 KUJNQPJWBYVVCQ-ZDUSSCGKSA-N 444.356 5.842 30 20 IKED N#CCSc1ccccc1C(=O)Nc1ncc(Cc2cccc(Br)c2)s1 725727575 PFMBLLLROVEPFQ-UHFFFAOYSA-N 444.379 5.364 30 20 IKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc3c(c2)COC3)cc1 726570486 AZBMSPNSHFZSMI-UHFFFAOYSA-O 448.955 5.161 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cnc(Cc2ccc(F)cc2)s1 727233112 GADIXRSUQVPNRJ-CQSZACIVSA-N 448.306 5.141 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(CCC3CCCCC3)o2)cc1 727265615 HNFWTQNEWVSAQM-GOSISDBHSA-N 426.586 5.318 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccccc3OC(F)(F)F)n2)cc1 727632788 UGAXRUUMAKJSNH-KRWDZBQOSA-N 446.450 5.526 30 20 IKED CCOc1c(OC)cc(/C=C\C(=O)c2sc(-c3ccc(OC)cc3)nc2C)cc1OC 727973889 BJCRYFMPXLTAHV-GHXNOFRVSA-N 439.533 5.439 30 20 IKED Cc1cccc(C)c1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728062060 IGYVTJRZTIXUGI-SFHVURJKSA-N 433.939 5.847 30 20 IKED COc1ccc(C)cc1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1C 728063146 XKXROSDROSLAME-IBGZPJMESA-N 429.520 5.202 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCOc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 728411261 FTVHMKMGQGJHNM-GDBMZVCRSA-N 429.328 5.859 30 20 IKED CCN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)Cc1ccc(C(F)(F)F)cc1 731030747 JYHUMVRCNYTGPF-INIZCTEOSA-N 435.515 5.560 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 731114062 DRAVOJZSYXHXCB-QGZVFWFLSA-N 446.617 5.287 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(CC2CC2)C(=O)N[C@@H]1c1ccc(O[C@@H](C)C#N)cc1 731430083 LKHGROWUAYXSCV-NPMXOYFQSA-N 449.938 5.107 30 20 IKED N#C[C@@H](C(=O)c1cc(Cl)nc(N2CCCC2)c1)c1nc(-c2ccc(Cl)cc2)cs1 733052681 OTLYEVNFVQPLHF-INIZCTEOSA-N 443.359 5.602 30 20 IKED N#CCOc1ccc(COC(=O)[C@@H](Sc2ccc(F)cc2F)c2ccccc2)cc1 733490812 XNVJVVDHIDAGKB-QFIPXVFZSA-N 425.456 5.444 30 20 IKED CCOc1cc(/C=C2/Cc3cc(F)ccc3C2=O)ccc1OCC(=O)N(C(C)C)C(C)C 734307044 KUEDWUSVPAARMR-JAIQZWGSSA-N 439.527 5.071 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N(C)[C@H]3c3cccc(Cl)c3)n2)cc1 734706549 MACXSPKFWKXBAH-KNKQGSTJSA-N 449.963 5.168 30 20 IKED CS[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1 740534370 HAULNYOANUCFHD-DNVCBOLYSA-N 433.385 6.397 30 20 IKED COc1ccc(-c2ccc(/C=C\C(=O)c3c(Cl)nc4sccn34)o2)c([N+](=O)[O-])c1 741845569 YVAGNDKPKUZWCI-UTCJRWHESA-N 429.841 5.122 30 20 IKED CC(=NOCc1nnc(-c2cccc(C#N)c2)o1)c1ccc(OCc2ccccc2C)cc1 742356870 YCQJEJAFINHLJS-UHFFFAOYSA-N 438.487 5.437 30 20 IKED Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1CNCc1cc(C#N)ccc1F 742381865 OURKSEWXFOFOKV-UHFFFAOYSA-N 437.733 5.501 30 20 IKED N#Cc1ccc(-c2cccc(CN=c3cc(C(F)(F)F)[nH]c(-c4ccncc4)n3)c2)s1 742409245 ZEHGIYYXBVWKCL-UHFFFAOYSA-N 437.450 5.192 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)cc2)cc1 743072910 IAMHJHYSDXCXLO-UHFFFAOYSA-N 442.519 5.264 30 20 IKED N#Cc1cc(NC(=O)c2ccc(CSc3ccccc3)cc2)ccc1N1CCC(O)CC1 743732747 NPTMUSAFCOLTKC-UHFFFAOYSA-N 443.572 5.064 30 20 IKED COc1ccc2c(c1)c(C(=O)O[C@H](C)C(=O)Nc1ccccc1C#N)c(C)n2C1CCCC1 745193262 LFITZFKRNGCOEO-QGZVFWFLSA-N 445.519 5.129 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1sc(-c2ccc(C)cc2C)nc1C 746415449 BLYJQEQHZWHTCI-SFHVURJKSA-N 433.533 5.095 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)cc1 746763325 DMIYNJGBVRKYMH-ZEQRLZLVSA-N 447.485 6.143 30 20 IKED CC(C)(C)c1csc(C2CCN(CC(=O)N(CCC#N)c3cccc(Cl)c3)CC2)n1 750296165 YRJADQPOYFPXLM-UHFFFAOYSA-N 445.032 5.220 30 20 IKED CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 751544369 XCFDHKAVFWDYQD-HSZRJFAPSA-N 448.498 5.108 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2ccccc2SCc2cscn2)cc1C#N 752201548 ZEVQAIVHZTVZRO-UHFFFAOYSA-N 438.534 5.128 30 20 IKED N#Cc1cc(F)c(C(=O)O[C@@H](CC(F)(F)F)c2ccc(Br)cc2)c(F)c1 755303864 LQTLAQQYQLFNPK-AWEZNQCLSA-N 434.158 5.449 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cnc2ccc(F)cc2c1 759208462 ZYNBSFMJIBKFKY-FQEVSTJZSA-N 425.419 5.127 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCO[C@H](c3cccs3)C2)c1=S 760409083 XTYHVUPJXFMMBS-KRWDZBQOSA-N 433.002 5.013 30 20 IKED CC(C)[C@H](NC(=O)OC(C)(C)C)c1noc(-c2ccc(COc3ccc(C#N)cc3)o2)n1 762022887 HLTRFNNFAFDFGB-IBGZPJMESA-N 438.484 5.002 30 20 IKED Cc1cc(C)cc([C@@H](OC(=O)CCC(=O)N(CCC#N)c2ccccc2)C(F)(F)F)c1 764176107 VEZSQOVYFPQJNK-JOCHJYFZSA-N 432.442 5.177 30 20 IKED Cn1cc(COC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(F)F)n1 770320081 BWHMFEBSDYQVCC-NSCUHMNNSA-N 428.279 5.152 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)ccc1NC(=O)OC(C)(C)C 772552769 YUBMAINSXJARRS-FQEVSTJZSA-N 443.503 5.456 30 20 IKED COc1c([N+](=O)[O-])ccc(CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1O 775058057 RZWCZQZFOUHFHO-UHFFFAOYSA-N 439.855 5.025 30 20 IKED C=C(C)[C@H](N[C@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C)c1ccc(F)c(F)c1 775559180 WLQAHVFNQHRIEX-ZHRRBRCNSA-N 431.527 5.661 30 20 IKED Cc1ccc(-c2nc3c(s2)[C@@H](Nc2ccc(N4CCC(O)CC4)c(C#N)c2)CCC3)cc1 777117602 NMLVNHAFQMCLPE-QFIPXVFZSA-N 444.604 5.441 30 20 IKED C[C@H](C#N)Oc1ccccc1NCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 779743093 PXZCNLUHHRWJAH-LLVKDONJSA-N 431.336 5.066 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cnn(C(C)C)c2C)cs1 787186885 PFQWPRPTZZIIBC-YFHOEESVSA-N 428.945 5.463 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1c[nH]cc1-c1ccccc1F 787194948 WZDOTZDYEYRHBY-HNNXBMFYSA-N 437.496 5.011 30 20 IKED N#CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccsc1 790722666 ZCZFFDUKYVEDPE-HXUWFJFHSA-N 448.573 5.165 30 20 IKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccsc2)N(CCC=C(C)C)C1=O 790727439 ONOPZWVCGORCQC-IBGZPJMESA-N 443.594 5.073 30 20 IKED COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)[C@@H](C#N)c5nccc6ccccc56)(C4)C2)C3)cc1 792108976 ZYXPHOWEJOMTES-DJYSFUIPSA-N 436.555 5.958 30 20 IKED CC(=O)N(c1nc(/C=C2\CCc3ccc(O)cc3C2=O)cs1)c1ccc(F)cc1F 794960260 PLRVZILNZJPIKQ-RIYZIHGNSA-N 426.444 5.024 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(C)o2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 797186027 JHKCTNWZVLJFLC-YWEYNIOJSA-N 443.858 5.303 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)ccc1OC 798108607 ALJLUJHCQNWMHQ-VDZJLULYSA-N 448.350 5.038 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1sc2nc(C)cc(C)c2c1-n1cccc1 804465203 FUZKYQFKFMFXRU-UHFFFAOYSA-N 435.549 5.008 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(Br)s2)cc(OC)c1OCC(F)F 809151636 CPKBRHSSDOLOQA-ONEGZZNKSA-N 433.270 5.068 30 20 IKED C#C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1)c1ccc(F)cc1 813041593 MRJRWJPZUJOTGW-HXOBKFHXSA-N 432.520 5.108 30 20 IKED Cc1cc(-c2ccc(NC(=O)CC3(C#N)CC3)c(C)c2)ccc1NC(=O)CC1(C#N)CC1 815722192 KOULNCYIMNIWLM-UHFFFAOYSA-N 426.520 5.235 30 20 IKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1nc2ccccc2s1 915098170 JLXCKDWRJMOUIG-CQSZACIVSA-N 442.327 6.067 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)cc1 915181337 YZPJBWFMFKUTMS-FCHUYYIVSA-N 429.545 5.037 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC([C@H](O)c3ccccc3)CC2)cc1 915353447 NNTZRBIPUUVOHT-CLJLJLNGSA-N 425.532 5.320 30 20 IKED COc1cccc(NC(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)c2ccccc2)c1 916156752 YTOAMCOJLDSEFJ-UNOMPAQXSA-N 436.851 5.162 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCCC2)cc1 916213041 XAPVXYVETSADIT-FQEVSTJZSA-N 425.529 5.037 30 20 IKED N#CCCn1cc(C=NNc2ncnc3sc(-c4ccccc4)cc23)c(-c2ccccc2)n1 916312356 UPSBSKBQLWQQBQ-UHFFFAOYSA-N 449.543 5.581 30 20 IKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2Br)o1)c1ccc2ccccc2n1 920106376 OUHOZSDWNNEVGK-KRWDZBQOSA-N 446.304 5.461 30 20 IKED Cc1cc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1Cl 920807002 VKKOSOMVSIGFGV-TZMCWYRMSA-N 432.879 5.694 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cccc(N2CCOC2=O)c1 921119692 UJTKVSBQLPVLTK-KRWDZBQOSA-N 442.475 5.190 30 20 IKED CC1(C)CCc2nc(O)c(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2C1 1141911451 MOQNVBJKZKNOTK-UHFFFAOYSA-N 443.522 5.155 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4c(C(F)(F)F)coc4C)CCC3)cc2)C1 1785806770 UVJCQNQPXPQXCR-UHFFFAOYSA-N 432.442 5.321 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnn(C(C)(C)C)c3)cc2)CCC1 1787070447 NXPMTLPWMNSDJJ-QFIPXVFZSA-N 434.584 5.154 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4nccc-4c3)cc2)CCC1 1788462279 XUTIAQWQKBZJAX-UHFFFAOYSA-N 430.552 5.255 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)COCc3ccccc3)CCC2)cc1 1789451659 QINHDNGSMJFHOF-DEOSSOPVSA-N 432.564 5.106 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc4c(Cl)cncc4s3)CCC2)cc1 1791587459 VNXROAWIQHJGDR-UHFFFAOYSA-N 425.941 5.274 30 20 IKED CC(C)[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)CC1 1830017424 UZIMWCLUOMXKSK-GVUKDKGQSA-N 449.639 5.254 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C23CCC(CC2)CC3)CC1 1832389338 ZRAWYJQLRRIZHO-GQRYIAOYSA-N 426.645 5.345 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(-c2ccc(Cl)cc2)o1 1847530550 AGUWJVPLWUKXKZ-SFTDATJTSA-N 438.955 5.184 30 20 IKED Cc1cccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc3c(c2)CCCC3)c1 10167400 IVFTXZWLTDYARF-UHFFFAOYSA-O 429.609 5.829 30 20 IKED C=CCNc1nnc(S[C@@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)s1 11392967 GHAWUQQPLWHEMU-QGZVFWFLSA-N 446.985 5.270 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 17272249 DSURSCNXEXKQDT-UHFFFAOYSA-N 428.608 5.350 30 20 IKED C[C@@H](OC(=O)Cc1coc2ccc3ccccc3c12)C(=O)N(CCC#N)c1ccccc1 21689102 CBOGMVGKJHKJIN-GOSISDBHSA-N 426.472 5.007 30 20 IKED Cc1cc(C)cc(-c2nnc(SCC(=O)N(CCC#N)c3cccc(Cl)c3)o2)c1 22237484 NVAXWHQLSWJLRE-UHFFFAOYSA-N 426.929 5.046 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2ccc(OC)cc2)cc1 22731178 BBLXJLDTOCPANK-UHFFFAOYSA-O 433.597 5.521 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)nc2ccccc2c1=O 28678135 FTLOVWGKRPSSKU-SFHVURJKSA-N 441.556 5.369 30 20 IKED COc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2)[n+]2ccc(C(C)(C)C)cc2)cc1 28777942 FKKJYLBRDXNMOA-UHFFFAOYSA-O 437.560 5.470 30 20 IKED COc1ccc(C(=O)/C=C\c2cccc(/C=C/C(=O)c3ccc(OC)cc3F)c2)c(F)c1 34714690 GPAMNQHCCQLIJB-VOFKWTQNSA-N 434.438 5.774 30 20 IKED C=CCn1c(S[C@@H](C)c2ccc(F)c(Cl)c2)nnc1[C@@H]1COc2ccccc2O1 59928178 OVGJONXSIDNDRL-DJJJIMSYSA-N 431.920 5.622 30 20 IKED Cc1cccc(-n2ncc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2C)c1 64715158 RSBWJRWQWDUNOE-INIZCTEOSA-N 434.471 5.381 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1cc(Cl)ccc1Cl 97543308 APKAUHBQKSHMPJ-HNNXBMFYSA-N 440.330 5.883 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl 303324667 VBRSJAMBPNEFHO-NSHDSACASA-N 429.756 6.059 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ncccc1C(F)(F)F 428080402 ZONFQAFHQZCVDW-UHFFFAOYSA-N 440.878 5.403 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1c(-c2cccc(Cl)c2Cl)noc1C 430325069 VJSFVCUBPRHJEK-UHFFFAOYSA-N 444.318 5.117 30 20 IKED CN(C(=O)c1cc(C#N)c[nH]1)[C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 431421336 KKRMSOMKOFXXRY-LJQANCHMSA-N 428.717 5.164 30 20 IKED C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N[C@@H](CCCC#N)c1ccccc1 431451445 IRLDSDXCSKXHAP-YWZLYKJASA-N 432.337 5.254 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NC(=O)N[C@@H](CCCC#N)c3ccccc3)s2)cc1 431939230 QVSBSNTUVJFUII-AVRDEDQJSA-N 448.592 5.923 30 20 IKED N#CCCn1cc(CNC[C@@H]2CC3c4ccccc4C2c2ccccc23)c(-c2ccncc2)n1 433302032 HYUFTIUCUAKOLN-KXJCJMOQSA-N 445.570 5.246 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)N[C@H]1CCN(c2sccc2C#N)C1=O 434881215 TXMGXYZMGYOFNZ-SJCJKPOMSA-N 442.997 5.161 30 20 IKED C=CCn1c(Sc2nn3cc(C4CCCC4)nc3s2)nnc1-c1ccccc1OC 436191900 ZNAUGXPEFLQIGZ-UHFFFAOYSA-N 438.582 5.053 30 20 IKED C=CCN1CCC(NC(=O)Nc2cc(-c3nc4cc(F)ccc4n3C(C)C)ccc2C)CC1 438616513 DZKLLPXZCCMZCO-UHFFFAOYSA-N 449.574 5.504 30 20 IKED N#CCC[C@@H](NC(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccccc1 440209452 UWVLFYSDDICSNH-VWNXMTODSA-N 441.510 5.261 30 20 IKED CC[C@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 442203918 AORRYDOWYAPCEA-JOCHJYFZSA-N 445.494 5.428 30 20 IKED N#Cc1cccnc1Oc1ccccc1NCc1cccc(Br)c1OC(F)F 443473090 DOXRLEPEQPIYCL-UHFFFAOYSA-N 446.251 5.722 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(-c3nc(COCC(F)(F)C(F)F)no3)ccc21 445749295 LQJNMHVMOCAYPE-UHFFFAOYSA-N 440.319 5.103 30 20 IKED C[C@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)c1nc(-c2ccc(Br)cc2)cs1 462244328 FLHJKEHPBVPSFN-KBPBESRZSA-N 440.366 5.425 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 462267909 JSFZDLHRQFLKBM-ZEQKJWHPSA-N 441.531 5.488 30 20 IKED C[C@H](NC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(-c2cccc(C#N)c2)cc1 463005468 APIMTMCDXFAIIU-RRWZXMNXSA-N 425.532 5.506 30 20 IKED COc1ccccc1CN(Cc1cccs1)C(=O)Nc1ncccc1OCCCC#N 466618733 MFKGSRTUAITSPZ-UHFFFAOYSA-N 436.537 5.069 30 20 IKED COc1ccccc1-c1ccc(CNc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 469185196 UNDXDBAQPZQAGK-UHFFFAOYSA-N 425.532 5.557 30 20 IKED Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1 470259835 UKUQNHWRIUGPHN-AZGAKELHSA-N 426.516 5.096 30 20 IKED Cc1c(C#N)c(NC(=O)CCN2CC[C@@H](C)C[C@H]2c2ccco2)n(Cc2ccco2)c1C 472248015 JPNNFPZPPJBVMC-VGSWGCGISA-N 434.540 5.013 30 20 IKED COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)C[C@H](CC#N)c1ccccc1)CC2 474430050 XVICPGITCYSGKR-DWACAAAGSA-N 440.543 5.265 30 20 IKED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c1 475341224 AQFGIHOACLSHIA-QFIPXVFZSA-N 445.906 5.134 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 475560842 JXMHTHQIEXEAKT-UHFFFAOYSA-N 425.960 5.182 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(CCC(F)(F)F)cc3)CC2)c(F)c1 477036144 VOAOBRDNXFDRIG-UHFFFAOYSA-N 435.421 5.268 30 20 IKED CC(C)n1ncc2c1C[C@H](NC(=O)Nc1ccc(Oc3ccc(C#N)cc3)c(Cl)c1)CC2 480137232 OQQXPCJQKBEKNE-LJQANCHMSA-N 449.942 5.460 30 20 IKED CCc1ccc([C@H]2COCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)o1 481246380 OQGGPECKJVZLLE-HXUWFJFHSA-N 435.455 5.250 30 20 IKED COc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 481712919 NBHZGDNMOWWGJE-QGZVFWFLSA-N 433.483 5.510 30 20 IKED CN(Cc1cc(F)c(F)c(F)c1)C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 482406330 QLXMGFGWJGNFRW-OAHLLOKOSA-N 442.306 5.150 30 20 IKED Cc1ccc(-c2noc([C@@H](C)NCc3cccc(OCc4ccccc4C#N)c3)n2)cc1F 483663782 SGVYELDPCRZXSM-GOSISDBHSA-N 442.494 5.486 30 20 IKED C=CCN(CC=C)C(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2Cl)n1C(C)C 501810048 NJHJAVPGOBOSTQ-AWEZNQCLSA-N 439.412 5.514 30 20 IKED COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)NC2(C#N)CCCCC2)s1 503651228 XFUKTINCXNDQFL-UHFFFAOYSA-N 446.576 5.447 30 20 IKED C=CCn1c(SCc2cc(Cl)ccc2OCc2cccnc2)nnc1-c1cccnc1 505863223 ATBGWIBPSVGPIZ-UHFFFAOYSA-N 449.967 5.446 30 20 IKED O=C(NCc1ccccc1OCC(F)(F)F)Nc1ccc(F)cc1OCC(F)(F)F 506900251 QJSSJURVMHUPRZ-UHFFFAOYSA-N 440.315 5.030 30 20 IKED COC(=O)c1c(NC(=O)N(C)C[C@@H](C)C#N)sc(C)c1-c1ccc(Cl)cc1Cl 506970103 SDPSBKDCJUIDEC-JTQLQIEISA-N 440.352 5.440 30 20 IKED N#CC1(c2ccccc2)CCC(NCCCOC2CCN(Cc3ccccc3)CC2)CC1 507612847 JVBHGHALTMBYQG-UHFFFAOYSA-N 431.624 5.051 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1 510979412 DISGDHXSHWEMRQ-QGZVFWFLSA-N 434.565 5.335 30 20 IKED N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)n1 512106741 ADHQVYBHKUDWPM-HZPDHXFCSA-N 443.507 5.181 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)cc1C(=O)N1[C@H](C)CCC[C@H]1C 512357792 YRXJNXVMQOYQPG-ZACQAIPSSA-N 439.943 5.021 30 20 IKED CCc1ccc(OCc2nnc(Sc3ncc(C#N)cc3Cl)n2CC(C)C)cc1 513635783 RJXYBYBRBPSCEL-UHFFFAOYSA-N 427.961 5.147 30 20 IKED Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccccc4CC#N)c23)cc1 514814494 QEVJPKGUCDLJRX-UHFFFAOYSA-N 430.558 5.464 30 20 IKED CCCOc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1OCCC 515540167 HQDYAGXWQJFTME-INIZCTEOSA-N 427.451 5.499 30 20 IKED C=CCc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)cc(OC)c1OC 515674752 JUZIEJFVFIBRJD-UHFFFAOYSA-N 434.467 5.076 30 20 IKED Cc1ccc(C)c(Sc2ccc(NC(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2)c1 516470980 YOHTVYOGZLUGGO-UHFFFAOYSA-N 443.576 5.075 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 517528186 TXQINOLVUNXVKG-YCRPNKLZSA-N 442.009 6.707 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3nc(-c4ccc5c(c4)CCO5)cs3)cc2)nc1 517652333 NBYCZVLNSNRJRO-UHFFFAOYSA-N 440.484 5.056 30 20 IKED C=CCN(C(=O)Nc1ccccc1Cc1ccccc1)[C@H](C)c1cccc(-n2cnnn2)c1 518255150 HBRXOHHEBJGJTG-HXUWFJFHSA-N 438.535 5.034 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cccc(OCc3cccnc3)c2)cc1 518539171 DHTKYIOPNSVYJS-UHFFFAOYSA-N 439.446 5.716 30 20 IKED COc1cccc(C[C@@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 520941208 GDFQCABHECCCCY-QFIPXVFZSA-N 427.504 5.598 30 20 IKED CCN(Cc1ccccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)C(C)=O 522572374 RWGYOSDXCSMVKB-UHFFFAOYSA-N 447.922 5.625 30 20 IKED Cc1nnc(-c2cccc(C#N)c2)n1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 524147207 YUAVGGFIRAHFSP-UHFFFAOYSA-N 425.439 5.316 30 20 IKED O=C(NC1CCC(F)(F)CC1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 534901092 LUFCMPLXMYCQRC-AYZSHTAMSA-N 447.410 5.803 30 20 IKED COc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1NC(=O)c1ccc(Cl)cc1F 536123343 PTRVZFHDSZPWQC-UHFFFAOYSA-N 437.858 5.058 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@@H](C)c2ccc(-c3cccnc3)cc2)n(C2CCCC2)c1C 538232113 PPRXTXHVKJRCPB-IBGZPJMESA-N 441.579 5.443 30 20 IKED COc1ccc(-c2nnc(SCCCC3(C#N)CCOCC3)n2-c2ccc(C)cc2)cc1 538570019 LWFAWEAXTJMZER-UHFFFAOYSA-N 448.592 5.444 30 20 IKED CN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 540669775 PYXHVUHNVPMFLM-VQTJNVASSA-N 426.442 5.395 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)c1 541182288 JFCTZMLCLSMRCZ-UHFFFAOYSA-N 429.402 5.218 30 20 IKED CC(C)(C)c1cnc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1 542124858 VIJZYXUKMDMFCQ-CQSZACIVSA-N 448.329 6.403 30 20 IKED C[C@@H]1C[C@H](C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CCC1=O 542161418 ZZSMNJUSPOEBCE-RFXMVYNHSA-N 449.313 5.449 30 20 IKED CN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 543519201 XITNQPAMIKVTNC-RSXGOPAZSA-N 444.506 5.269 30 20 IKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1cc(F)c(F)cc1F 547988728 ABAHZLNBGVUVDY-UHFFFAOYSA-N 447.253 5.238 30 20 IKED CC[C@H](c1ccccc1OC)N(C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 553984675 ZLQRIDBRLOJTFB-HSZRJFAPSA-N 448.567 5.038 30 20 IKED N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cccc(-c3ccc(Br)cc3)c2)cc1 557360693 AJMPRBSTKRYROF-FQEVSTJZSA-N 430.305 5.309 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1 561241949 YNXFGNIJJHUEMP-UHFFFAOYSA-N 431.536 5.677 30 20 IKED N#CCc1ccccc1NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 561798493 YNFRRMNKNBXFIP-BJKOFHAPSA-N 429.951 5.260 30 20 IKED Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 571328153 DJLOOAOTNBWJAL-UHFFFAOYSA-N 447.542 5.226 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC(Cc4cccc(F)c4)CC3)cc2)ccn1 571368828 WVTWSFCVBSUENZ-UHFFFAOYSA-N 430.483 5.371 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](C)[C@H]1c1cccc(F)c1 575369640 YRBPZSIPQJWDAR-JMBSJVKXSA-N 432.543 5.436 30 20 IKED C=CCn1c(SC[C@@H]2CCCN(C(=O)C(C)(C)C)C2)nnc1-c1ccc(Cl)cc1 576421457 MPIJQGVJFIYEQC-MRXNPFEDSA-N 433.021 5.161 30 20 IKED O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c1 577752133 INKNGVRRXWBGEH-AWEZNQCLSA-N 444.278 5.608 30 20 IKED CCC[C@@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1cccc(C(F)(F)F)c1 579378028 QFCMDRUIWMDXGF-LJQANCHMSA-N 430.474 5.209 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NCc3ccc(F)cc3C(F)(F)F)cc2)ccn1 580921713 XTZJBJCWPXUCMG-UHFFFAOYSA-N 430.361 5.225 30 20 IKED CC(C)(C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 589052482 XXVUNTMTGBBGPT-CHWSQXEVSA-N 435.330 5.572 30 20 IKED CCc1noc2ncc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc12 590388482 GAHQMTVRWOWDCQ-AWEZNQCLSA-N 443.315 5.706 30 20 IKED C=CCN(CCC#N)C(=O)c1ccccc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 590409356 YKTYMNICMXXVNV-UHFFFAOYSA-N 448.375 5.266 30 20 IKED O=C(Cc1coc(-c2ccc(F)cc2)n1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603440377 YCUVICWYBBWUHN-IMRBUKKESA-N 438.343 5.049 30 20 IKED C=CCN(C(=O)CCc1ccccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603459352 QXHYKRCFDIZJBB-UHFFFAOYSA-N 427.913 5.524 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 604084730 FYCUQDDOKKCJEA-UHFFFAOYSA-N 439.541 5.061 30 20 IKED COCCCCN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604406616 BXDKIIVYEWOYNR-UHFFFAOYSA-N 430.508 5.206 30 20 IKED CC(C)(C)C[C@@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1 605048993 ACVZXCMQJXXIED-CQSZACIVSA-N 428.392 5.829 30 20 IKED C[C@@H]1c2ccc(F)cc2CCN1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 606641985 GVWXJJCBDCJHIR-PBOSXPJTSA-N 426.376 5.364 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)s2)o1 607439081 SCTBUSWIVXNMSL-NSHDSACASA-N 425.988 5.208 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc3[nH]ccc23)c1 608879917 GNTPWGZCAHGOAA-UHFFFAOYSA-N 426.501 5.023 30 20 IKED N#C[C@@H](NC(=O)c1cccc(COc2cccc(F)c2)c1)c1ccccc1Br 609624179 HJOFKTDQCWREBQ-OAQYLSRUSA-N 439.284 5.162 30 20 IKED Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 609773001 RXHNPCCFGYQLJN-QFBILLFUSA-N 426.561 5.176 30 20 IKED Cc1sc([C@H](C)NC(=O)NCc2ccc(C#N)cc2F)nc1-c1ccc(Cl)cc1 610667887 QDEKQJWRWFIUKZ-LBPRGKRZSA-N 428.920 5.343 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3oc4ccccc4c3COC(C)C)n2)cc1 613314350 LMZZVLKQRIAYMT-IBGZPJMESA-N 430.529 6.280 30 20 IKED CCOc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OCC 613404898 WAOSRDKQQRCVNI-CQSZACIVSA-N 434.439 5.603 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 670230071 WODXKSASUMGMDY-QRWLVFNGSA-N 444.988 5.211 30 20 IKED O=C(c1ccc(C(F)(F)F)cc1N1CCCC1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 671753121 CXBIPZOUBIVLLU-STQMWFEESA-N 448.329 5.118 30 20 IKED Cc1cc(C(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c(C)n1CC(F)(F)F 679706770 NGDVWLGEXKMIQU-AWEZNQCLSA-N 444.322 5.302 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN(C)C[C@H]2OCCc3ccccc32)c1=S 725782367 KEPVEUPDCYSTMR-OAQYLSRUSA-N 441.000 5.124 30 20 IKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(CCC3CCCCC3)o2)cc1C 727266242 WIUQIJCXGRVKFG-UHFFFAOYSA-N 426.586 5.238 30 20 IKED C=CCc1cc(OCC)cc(CN2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1O 727431084 PEAYLCLIDDJTIU-QHCPKHFHSA-N 440.971 5.121 30 20 IKED CCOC(=O)Nc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 727998723 GFNSVZZBEUVBGP-UHFFFAOYSA-N 449.894 5.611 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)O[C@H](c1ccc(Cl)cc1)c1cccnc1 730429641 LKJNTHYQMKUFQC-XMMPIXPASA-N 436.895 5.107 30 20 IKED CN(C)C(=O)Sc1ccccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 731986466 QMMURPWKNGKKKR-UHFFFAOYSA-N 431.517 5.571 30 20 IKED C#CCN(C(=O)Nc1ccc(Cl)cc1F)[C@@H]1CCOc2ccc(Br)cc21 733615211 CASCUUSNUPONBV-QGZVFWFLSA-N 437.696 5.233 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2ccccc2)C(=O)N[C@@H]1c1sc(C)nc1C 736534009 FAWDUTJYNXLFLY-NRFANRHFSA-N 435.524 5.166 30 20 IKED Cc1oc(-c2ccccc2F)nc1C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 739153834 FMZFAUXIJMFQAR-OAHLLOKOSA-N 432.238 5.057 30 20 IKED CSc1ccc(O[C@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 741111326 KJHFTJLYKSYYSB-DYESRHJHSA-N 446.528 5.316 30 20 IKED CS(=O)(=O)c1ccc(C(=O)/C=C\c2ccc(Oc3cc(F)cc(F)c3)cc2)cc1F 741847574 QBDDPZDNBUGWQJ-YWEYNIOJSA-N 432.419 5.196 30 20 IKED O=C(/C=C\c1ccc(-c2ccccc2F)o1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741852768 RVYKOQCVLUJNAK-XFFZJAGNSA-N 438.398 5.318 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)cc1 744028706 OAXJKKVEGNWWJP-QFIPXVFZSA-N 433.552 5.283 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1SCc1ccccc1 746659865 LSTRNRPCAGEOML-UHFFFAOYSA-N 431.561 5.531 30 20 IKED C[C@H]1C/C(=C/c2ccccc2)c2nc3ccccc3c(C(=O)Nc3cnn(CC#N)c3)c2C1 747434666 NFLSVQUTLQVDRS-BAOGPQIGSA-N 433.515 5.330 30 20 IKED COc1ccc(-c2nc(S[C@@H](Cc3ccccc3)c3ccccc3)nc(O)c2C#N)cc1 747615243 YRPXSKHLYNMGDS-QHCPKHFHSA-N 439.540 5.806 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(C)[C@@H](C)c2cccc(C(F)(F)F)c2)cc1C#N 752307296 JEXPDLRJQLLJFQ-ZDUSSCGKSA-N 434.418 5.370 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccc(NC(=O)OC(C)(C)C)cc1 755284509 IGSTVEFVABSMHV-UHFFFAOYSA-N 436.556 5.070 30 20 IKED N#CCCn1cc(C(=O)CN(Cc2ccccc2)C[C@H](O)c2cccs2)c2ccccc21 756058972 XYXVXXBWEHRKMD-VWLOTQADSA-N 443.572 5.035 30 20 IKED N#Cc1cc(Br)ccc1OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl 759162177 VGIZEIHELZGTGQ-UHFFFAOYSA-N 434.504 5.298 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2c(Cl)cc(F)cc2Cl)cs1 767911755 XIRCMFIYUJEJHR-UHFFFAOYSA-N 437.327 6.028 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1NCc1cn(CCC#N)nc1-c1ccccc1 770412398 JAQOREJLJIXLFL-UHFFFAOYSA-N 431.540 5.731 30 20 IKED C=CCOc1ccc(/C=C/C(=O)N2CCC(n3c(CC)nc4ccccc43)CC2)cc1OC 771788322 JCNIZXSQKDGBHQ-ACCUITESSA-N 445.563 5.049 30 20 IKED CC(C)Cn1ccc2c(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cccc21 774049803 BVVCCENVGSQLTR-KRWDZBQOSA-N 428.319 5.565 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H](c2ccc(Br)cc2)C2CC2)ccc1OC 774450926 WDRDNYJGQDFCEN-UGKGYDQZSA-N 429.358 5.380 30 20 IKED COc1cccc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)O[C@@H](C)C#N)c1OC 776019613 OACSSRBKENZVHH-GJNQCVPDSA-N 442.515 5.444 30 20 IKED CC(C)(C)OC(=O)N1CCCc2c(C(=O)N[C@H](C#N)c3ccc(Cl)cc3)cccc21 778750249 ILESOXSRAIAHTL-LJQANCHMSA-N 425.916 5.022 30 20 IKED CC(=O)N(c1nc(/C=C2\COc3c(F)ccc(F)c3C2=O)cs1)c1ccc(F)cc1F 783711570 FOZDTDSROYVEJS-IZZDOVSWSA-N 448.397 5.043 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\Oc3c(C(C)C)ccc(C)c3C2=O)cs1 783936011 WEEFPTXECWUHHM-JAIQZWGSSA-N 436.508 6.015 30 20 IKED Cc1cc(NC(=O)/C=C/c2ccccc2C#N)cc(C)c1NC(=O)/C=C/c1ccccc1C#N 785527590 XRRRKDBIWXGLJV-PHEQNACWSA-N 446.510 5.351 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cc2ccccc2n1CC(F)(F)F 786306002 JJSHSPOVUURKPP-SFHVURJKSA-N 435.405 5.318 30 20 IKED C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(N2CCCCCC2)cc1 786959184 PRNIPGXACOFVQI-NRFANRHFSA-N 430.596 5.823 30 20 IKED N#C[C@@H](C(=O)[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1)c1cnc2ccccc2n1 792102091 DJCJEIZFQKZCFI-GYCJOSAFSA-N 448.309 5.933 30 20 IKED N#CC[C@@H](CC(=O)Oc1ccc(Oc2ccc(Br)cn2)cc1)c1ccccc1 796985812 NWXKMPKSRXEAJB-KRWDZBQOSA-N 437.293 5.629 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc2cc(Br)ccc2c1 806352626 VKNKYVKXRBWQTC-UHFFFAOYSA-N 429.314 5.298 30 20 IKED CC(=NNc1nc(-c2ccccn2)nc2c1CCC2)c1sc(-c2ccccc2)nc1C 814858165 NDPJDVLZKRXMQI-UHFFFAOYSA-N 426.549 5.295 30 20 IKED COC(=O)c1sc2ncc(C(=O)/C=C/c3ccccc3OCc3ccccn3)cc2c1C 914773697 RKUYBOHGSRJOHD-ZHACJKMWSA-N 444.512 5.261 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(N3CCOC3=O)c2)cc1 914861148 TUTDYIAMFXXSRX-UHFFFAOYSA-N 429.501 5.059 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccc(F)cc3)s2)cc1Cl 916940861 ZVRQOICZYKCORC-OAHLLOKOSA-N 428.872 5.177 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4ccc(Br)cc4)CC3)n2)cc1 916973998 CFGBYVSJZAMJCE-GOSISDBHSA-N 437.362 5.789 30 20 IKED C=CCn1c(-c2cccc(C)c2)nn(CN2CCC[C@H](c3nc4ccccc4o3)C2)c1=S 917430365 IXZUGGXRVMJXIA-FQEVSTJZSA-N 445.592 5.554 30 20 IKED COc1ccccc1N=C1SCCN1C(=O)CCCCc1nc2ccccc2s1 917510707 YEADRCSROYARAF-UHFFFAOYSA-N 425.579 5.281 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3cc(C)ccc3C(C)C)n2)cc1 920138256 BWDHCKDOTYOZNI-UTKZUKDTSA-N 434.561 5.894 30 20 IKED Cc1ccc(C)n1-c1ccc(C(=O)NC2(c3ccc(NC(=O)CCC#N)cc3)CCC2)cc1 1787889338 XDWVUWWQHKXANS-UHFFFAOYSA-N 440.547 5.146 30 20 IKED Cc1cscc1C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)c(C#N)c3)CCC2)cc1 1788745793 GVPNLWRBQWRKDC-UHFFFAOYSA-N 447.535 5.058 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)CCC1 1790312065 BXPGNJQHGSWAJJ-UHFFFAOYSA-N 428.454 5.257 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4c(C)cccc4[nH]3)CCC2)cc1 1790567069 GOSATCOLPPYVSF-GOSISDBHSA-N 446.551 5.025 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CC2CCCC2)CC1 1826265683 UPDVVHMIKCJCNE-XMMPIXPASA-N 444.736 5.238 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C(C)=C/c2ccc(C)o2)CC1 1829005333 ZHMOWNRNXQLFRS-UPCAWOEVSA-N 440.628 5.603 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sccc2OCC)CC1 1829064813 NIHBEEFSVVNQKH-HXUWFJFHSA-N 446.657 5.373 30 20 IKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCCC(C)(C)C)CC1 1831574846 BVTVMWNZQBTFLN-QFIPXVFZSA-N 436.706 5.522 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccc(C)cc2C)cc1 10168875 YDMJGQRFTYSXTB-UHFFFAOYSA-O 431.625 6.328 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccc(N(C)C)cc2)c(C)c1 10168992 APLSLFPVKVQFKO-UHFFFAOYSA-O 438.642 5.386 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(OCC)cc2)nnc1-c1ccc(Cl)cc1 16862742 AGLVIVHCQHOVCD-HNNXBMFYSA-N 442.972 5.303 30 20 IKED N#Cc1c(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)sc2c1CCC2 24047082 AFPRRAXUOQCYIB-UHFFFAOYSA-N 434.361 5.164 30 20 IKED C[C@@H](SCC(=O)Nc1ccccc1SCC#N)c1ccc(OC(F)(F)F)cc1 65280267 KVIADOVHRQBORF-CYBMUJFWSA-N 426.485 5.634 30 20 IKED COc1ccc(F)cc1-c1csc(NC(=O)c2ccccc2-c2ccccc2C#N)n1 107625904 YMCFTKYGTOHFSG-UHFFFAOYSA-N 429.476 5.749 30 20 IKED COCCOc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)cc1 206986552 DJZCGTZOWMFHBX-ZROIWOOFSA-N 435.907 5.514 30 20 IKED Cc1sc2ncnc(Sc3ccccc3C(=O)NCC#Cc3ccccc3)c2c1C 253589273 ZSKGDEQSFFXQDN-UHFFFAOYSA-N 429.570 5.241 30 20 IKED CCc1ccc(-n2nc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c3c2CCC3)cc1 303296895 CDBZTCZHOWISQG-QGZVFWFLSA-N 430.577 5.570 30 20 IKED C[C@@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1cc(F)c(Cl)cc1Cl 428332815 SMKUNJSSWPZWGJ-CYBMUJFWSA-N 431.298 5.401 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3ccnc(Oc4ccc(F)cc4F)c3)CC2)cc1 433752483 YYQOPAGETDGWRP-UHFFFAOYSA-N 432.430 5.345 30 20 IKED Cc1cccc(CN(Cc2cccc(C)n2)C(=O)Nc2ccccc2S[C@H](C)CC#N)n1 435134913 KXGIEFVTSOHCFP-HXUWFJFHSA-N 445.592 5.722 30 20 IKED N#CCC[C@H](NC(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccccc1 438851589 PNMYHONWPDOXDJ-MHZLTWQESA-N 449.558 5.443 30 20 IKED Cc1ccnc(Oc2cc(N[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)ccc2C)c1 439615223 BMOSHIHXBHLXAN-MRXNPFEDSA-N 432.549 5.352 30 20 IKED CCCc1c(NC(=O)C2(c3ccc(Br)cc3)CC2)cnn1-c1cccc(C#N)c1 440081983 TVEWXONHXUFZDX-UHFFFAOYSA-N 449.352 5.129 30 20 IKED C=CCC[C@@H](NC(=O)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2)c1ccc(C(F)(F)F)cc1 440832057 LGZQSIIZNAXUMS-KBXCAEBGSA-N 447.457 5.104 30 20 IKED CC(C)N(Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(-c2cccc(F)c2)s1 441211232 ROIAMIWUVISUJZ-UHFFFAOYSA-N 432.524 5.886 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1cc2ccccc2o1 441602002 HTNVQWREKJSHRP-HNNXBMFYSA-N 443.434 5.052 30 20 IKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccccc1 441757149 HPCMZEHUJIXZGS-HSZRJFAPSA-N 445.494 5.332 30 20 IKED C=C(C)Cn1c(SCc2coc(-c3c(F)cccc3F)n2)nnc1-c1ccncc1 443426952 LIPVSKSNBAGHNG-UHFFFAOYSA-N 425.464 5.142 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3c(F)cc(Br)cc3F)cc2)cc1 443874779 BUHGBPRGZTXANM-UHFFFAOYSA-N 443.247 5.838 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2c(F)cc(Br)cc2F)cc1 443877043 JDOWYZYJXWRFJK-UHFFFAOYSA-N 447.210 5.783 30 20 IKED COc1ccc2cc([C@H](C)C(=O)Nc3c(C#N)c(SC)nn3-c3ccccc3)ccc2c1 445566254 XDZQHMWXBVGERD-INIZCTEOSA-N 442.544 5.370 30 20 IKED C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446629955 XAGIBBPNSLKTIQ-WZGNDQMWSA-N 440.975 5.130 30 20 IKED Cc1nc(C(F)(F)F)sc1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 463468777 GYMXSCADOYYYOD-UHFFFAOYSA-N 433.430 5.324 30 20 IKED Cc1cc(-c2noc([C@H](C)NC(=O)Nc3ccccc3SC[C@H](C)C#N)n2)ccc1F 473816133 GVMSQEYKGQJTQR-HIFRSBDPSA-N 439.516 5.319 30 20 IKED Cc1cc(F)c(Br)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 475094292 UYRSPJFOJKKQDO-UHFFFAOYSA-N 426.245 5.208 30 20 IKED CN1CCC[C@@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 476077955 HVDWVLXCGODBPX-UGKGYDQZSA-N 443.513 5.319 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccn(C4CCCC4)n3)s2)c(C(F)(F)F)c1 477469653 PIGIITGKHRIZKD-UHFFFAOYSA-N 445.470 5.188 30 20 IKED C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(F)c(F)c1 477660462 CBBTXDGNMANVIQ-HSZRJFAPSA-N 447.441 5.001 30 20 IKED Cc1ccccc1-c1nnc(C)n1-c1ccc(OCc2nnc(-c3cccc(C#N)c3)o2)cc1 479928976 KKAAOPLQBIHGDM-UHFFFAOYSA-N 448.486 5.052 30 20 IKED C[C@H](Sc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1C#N 481373785 MLRUQBFCUGAONE-AWEZNQCLSA-N 449.923 5.172 30 20 IKED C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482448307 RGWXKXLMQDJMJF-MGPLVRAMSA-N 438.343 5.572 30 20 IKED N#CC[C@@H](CC(=O)N(C[C@@H]1CCCO1)c1ccc(Br)cc1)c1ccccc1 483343257 PSIJXJJXVNNTJG-RXVVDRJESA-N 427.342 5.049 30 20 IKED C=CCN(CC1CCCCC1)C(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1 485377988 CMZPKNCMQXRSPR-UHFFFAOYSA-N 426.582 5.261 30 20 IKED CC[C@@H](c1ccccc1)c1nnc(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)o1 488813277 FNXCDIUSFDFLRE-DYVFJYSZSA-N 426.929 5.256 30 20 IKED O=C(N[C@H]1CCCC(F)(F)C1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 488993507 NUMARVFCGLVHDD-NSHDSACASA-N 441.322 5.218 30 20 IKED N#Cc1ccc(Br)c(CNc2cccc(C(=O)N3CCc4ccccc43)c2)c1 492725658 XRDTYVUDBGFLGW-UHFFFAOYSA-N 432.321 5.136 30 20 IKED N#Cc1cccc(COc2cccc(CN3CCC(n4ccc(C(F)(F)F)n4)CC3)c2)c1 497226820 GVXXRONLLMFGPB-UHFFFAOYSA-N 440.469 5.190 30 20 IKED Cc1cc(Br)cc(C)c1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 500130930 UZKFXPZPTRFGQW-UHFFFAOYSA-N 435.321 5.769 30 20 IKED C=C(C)COc1cc(CNc2ccc(F)c(NC(=O)Cc3ccccc3)c2)ccc1OC 500999438 IOTDWJDSYXSXLA-UHFFFAOYSA-N 434.511 5.583 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCC(N(CCC)C(=O)c2cccs2)CC1 505010392 GJMBCTDEBBHZCF-UHFFFAOYSA-N 425.598 5.415 30 20 IKED Cc1nc(SCC(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)c(C#N)c(C)c1C 505328828 JYXPSPKETCTEID-UHFFFAOYSA-N 443.878 5.204 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(c3ccccc3)CC2)cc1Cl 506278860 CBCVFNUQVOLAKP-DEOSSOPVSA-N 444.966 5.786 30 20 IKED C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 507580060 MVZQIMHJWCSZKI-YKSBVNFPSA-N 441.600 5.416 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1 508277018 YHQDDFXELMFGIW-AVRWGWEMSA-N 443.503 5.353 30 20 IKED COc1cccc([C@@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 511400703 VVGJUAMZJWCDJA-SANMLTNESA-N 441.531 5.709 30 20 IKED Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 511419482 BVLKKNOITALHSH-SANMLTNESA-N 425.532 6.009 30 20 IKED C=CCn1c(S[C@H](C(=O)N2CCCc3ccccc32)C(C)C)nnc1-c1ccoc1C 514986054 QZPRKBPKDJTAPP-NRFANRHFSA-N 436.581 5.129 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1ccc(Cl)cc1Cl 515158584 OYKPVMAGLWVESC-UHFFFAOYSA-N 426.303 5.932 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2c(F)cc(F)cc2-c2ccccc2)cc1 516780917 YWFUEIUTBKWERD-UHFFFAOYSA-N 440.449 6.335 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCCC[C@@H]3c3ccccc3)cc2)c1 518750640 XQDSZBQPGJHKKN-RPBOFIJWSA-N 439.515 5.132 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(NC(=O)c2cccnc2)cc1 518751517 WKQNMKKMFLOAHO-KRWDZBQOSA-N 445.548 5.050 30 20 IKED C=C(C)CN1CCC(NCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)CC1 518791829 FIGAEHGSOPOPAV-UHFFFAOYSA-N 432.395 5.376 30 20 IKED N#C[C@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)c1ccc(OCc2ccccc2)cc1 519131102 AUQPJQBSRQLPBA-PKTZIBPZSA-N 438.449 5.683 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2oc3cc(OC)ccc3c2-c2ccccc2)n1 520444801 VETKMNSLARAUFJ-QGZVFWFLSA-N 446.484 5.232 30 20 IKED COc1ccc([C@@H](Cc2ccccc2C)NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1OC 521510581 BMSMJKFVPFCXIO-YADARESESA-N 443.547 5.228 30 20 IKED CC(C)Oc1ccc(CC[C@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 521953837 XMIZUJWZIXFRQN-IBGZPJMESA-N 429.520 5.284 30 20 IKED C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 523455884 FPRUNSGBUWMOFS-MRXNPFEDSA-N 433.458 5.567 30 20 IKED CC(C)c1noc(-c2ccccc2C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)n1 524262497 DGOYVPPYPYGJPN-UHFFFAOYSA-N 438.487 5.563 30 20 IKED Cc1nc(-c2cnn(C)c2)sc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 524492784 KERGQZCXFQTOJB-IBGZPJMESA-N 447.951 5.413 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)n1 533936109 BBLKJIHCHKOSPG-KRWDZBQOSA-N 449.333 5.314 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1Cl 534193104 TWEMDZGHFVJUPZ-INIZCTEOSA-N 441.796 5.908 30 20 IKED Cc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(Br)c1 534361800 WVNIRYLJGRIHHK-UHFFFAOYSA-N 435.321 5.769 30 20 IKED CCN1CC[C@H](NCc2ccc(OC)c(OCCCC#N)c2)[C@H]1c1ccc(Cl)c(F)c1 540202611 VRJDGIMVPHTPPV-XUZZJYLKSA-N 445.966 5.095 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)n1 541099706 GLEBIGWHEXNPQI-QFIPXVFZSA-N 444.926 5.638 30 20 IKED CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 541639523 USBDZDOOKDYWQP-RDGATRHJSA-N 430.479 5.482 30 20 IKED C=CCn1c(SCc2ccc(Br)c3cccnc23)nnc1-c1ccoc1C 542216295 KNBZITJPPGIJGP-UHFFFAOYSA-N 441.354 5.636 30 20 IKED CN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 543596730 UJRYRVSQBPEIAR-RDGATRHJSA-N 445.494 5.874 30 20 IKED COc1cc(Cc2noc(-c3ccc(C#N)cc3C)n2)cc(Cl)c1OCC(F)(F)F 547087068 VWCLTBMRWYZVIM-UHFFFAOYSA-N 437.805 5.111 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F 553449806 ZSXCQSPEJBOSDD-UHFFFAOYSA-N 449.452 5.026 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 554212966 NYMCBGCZQONCGQ-FUHWJXTLSA-N 447.526 6.511 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N2CC(CN3CC(C)(C)c4ccc(C5CC5)cc43)C2)cc1 566021613 VTHZKOXOJLBBOQ-UHFFFAOYSA-N 427.592 5.235 30 20 IKED COc1cc(CN(C)C(=O)c2sc3ccc(C#N)cc3c2C)c(SC)cc1OC 577397064 FANDAEVOLBTHFY-UHFFFAOYSA-N 426.563 5.093 30 20 IKED C=CCN(C(=O)c1cnc(COC)s1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 581153121 JCHAMRRMAOCZMV-UHFFFAOYSA-N 440.377 5.553 30 20 IKED CCCNC(=O)c1ccc(NCc2cccc(OCc3cccc(C#N)c3)c2)cc1Cl 584008904 NTHCZELBXKPRMU-UHFFFAOYSA-N 433.939 5.543 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCc1ncc(-c2ccccc2)o1 603532708 LZWJLMJUUWYHHU-UHFFFAOYSA-N 439.490 5.827 30 20 IKED CCOc1ccccc1OCCCC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 603995941 WWCNALWJOMTFOX-UHFFFAOYSA-N 443.503 5.007 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 604358313 WJNPAOXUMLQBPH-UHFFFAOYSA-N 439.431 5.005 30 20 IKED O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 605049635 GXPMPVZSWFUJLK-MRXNPFEDSA-N 434.355 5.441 30 20 IKED N#Cc1ccc(N2CCC(NC(=O)Nc3cc(Cl)ccc3Oc3ccccc3)CC2)nc1 608993286 ZFHYQTKPSBOWRL-UHFFFAOYSA-N 447.926 5.189 30 20 IKED CCc1noc2ncc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)cc12 609062587 WAQZSKBAUKBUDX-UHFFFAOYSA-N 432.867 5.142 30 20 IKED CC(C)c1noc2ncc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc12 609103975 LWAKGPZITCWKDO-UHFFFAOYSA-N 430.439 5.188 30 20 IKED COc1ccc2c(c1)CCCN(C(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)C2 609137824 JSRWNFJASLXUDG-UHFFFAOYSA-N 441.531 5.321 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCO[C@H](c3ccccc3)C2)cc1Cl 609253466 MRIHJNWIZNNGGF-ZCYQVOJMSA-N 445.950 5.991 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 609427834 SGGJWJXVRSUCBE-OAHLLOKOSA-N 436.558 5.833 30 20 IKED COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 609435536 WBMFKFZDZJHHKH-OXJNMPFZSA-N 425.554 5.467 30 20 IKED COc1cc(C[S@@](=O)[C@@H](C)c2ccc(F)c(F)c2)ccc1OCc1cccc(C#N)c1 609923800 RVHLUUGVYJEFGH-AZYRPFHASA-N 441.499 5.434 30 20 IKED CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 609927865 GDXQLNWQYGUDRQ-NYHFZMIOSA-N 436.899 5.297 30 20 IKED CCCN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@@H](C)c1ccc(Cl)c(Cl)c1 609995623 DKLLBBSGJCDSQO-AWEZNQCLSA-N 442.350 5.246 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Nc3ccccc3CCC(F)(F)F)cn2)cc1 610697217 AAOCWPCSJPGXJM-UHFFFAOYSA-N 426.398 5.884 30 20 IKED CCOC(=O)c1oc2ccc(Br)cc2c1CN[C@H](C)c1cccc(C#N)c1 611386654 QOXAVFOYJMQYOL-CYBMUJFWSA-N 427.298 5.094 30 20 IKED Cc1c(C#N)cccc1NC(=O)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1 612577251 AVOYUGJQVOLPBQ-INIZCTEOSA-N 426.236 5.444 30 20 IKED COc1ccc(F)cc1[C@H](C)NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612806454 ZBLQBIVCNWPVAC-HBNTYKKESA-N 430.364 5.104 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3C(=O)c3cccs3)n2)cc1 613318289 UOSDCXXZZVBOJG-LJQANCHMSA-N 428.538 5.901 30 20 IKED C[C@]1(C#N)CCCN(c2nnc(Cc3cccc4ccccc34)n2Cc2cccs2)C1 619854706 OZASNKBBDWNNSL-RUZDIDTESA-N 427.577 5.262 30 20 IKED C=CCOc1cccc(NC(=O)c2ccc(OCc3cc(C)no3)c(Br)c2)c1 620697231 BMWPTEYESSATPE-UHFFFAOYSA-N 443.297 5.142 30 20 IKED O=C(Nc1cc(F)ccc1N1CCCCC1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674564650 JCZPATLJQWKIPG-BETUJISGSA-N 427.364 5.021 30 20 IKED O=C(c1ccc2noc(-c3ccc(F)cc3)c2c1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 676575703 IMUSUUPNOLGYHY-HUUCEWRRSA-N 446.322 5.447 30 20 IKED CCC[C@@H](C#N)NC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 726532731 QLLHTGDMCQZQJI-KRWDZBQOSA-N 440.619 5.378 30 20 IKED CC(=NOCc1nnc(-c2c(Cl)cccc2Cl)o1)c1ccc(NC(=O)C2CC2)cc1 726597027 OFSIAXRZURYXAQ-UHFFFAOYSA-N 445.306 5.333 30 20 IKED N#C[C@@H](C(=O)/C=C\c1cccc(OC2CCCC2)c1)C(=O)Nc1ccc(Cl)cc1Cl 727953984 JWQBZMMQXIFYBO-POGDKVGISA-N 443.330 5.676 30 20 IKED Cc1cc(C)c(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(Cl)c1 727978984 RVZXGDZQUBDJOU-UHFFFAOYSA-N 435.980 6.525 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H](C)Oc1ccccc1Cc1ccccc1 728177728 IJMHJJIGLAADSA-NRFANRHFSA-N 435.527 5.180 30 20 IKED CC(C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccccc1N/C=C\C(=O)C(F)(F)F 728981735 ZBSUPAMCXGOGTO-LLNWESEBSA-N 448.441 5.051 30 20 IKED Cc1cc(Cl)ccc1O[C@H](C(=O)OCC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 730339275 WNDLQTZJNPIUFW-DEOSSOPVSA-N 448.906 5.017 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cccc(OC(F)(F)F)c2)cs1 730949057 QKNPLKNJGONMLO-DHZHZOJOSA-N 446.450 5.931 30 20 IKED COc1cc(OC)c(C(=O)/C=C\c2ccc(OCc3occc3C(=O)O)cc2)cc1Cl 730952284 UYUBTWJUXJRBMN-YVMONPNESA-N 442.851 5.124 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 731114706 VYOIODOFDHPKHH-ZWKOTPCHSA-N 446.617 5.049 30 20 IKED CCCOc1nc2ccccc2cc1/C=C\C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1 731768796 QZMCKWDPFFNMKC-SUJSUNJESA-N 433.895 5.038 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 732901649 YFYAGOCRHFLSKE-MRXNPFEDSA-N 444.796 5.511 30 20 IKED Cc1cc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)c(C)n1[C@@H](C)c1ccccc1 733253126 GNFIFTVUXPCDFW-KSFYIVLOSA-N 436.353 5.471 30 20 IKED Fc1ccc(NC(=S)NCc2cccc(C(F)(F)F)c2)c(OCC(F)(F)F)c1 733753153 IBUBBIAEZXCJNN-UHFFFAOYSA-N 426.357 5.272 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(CSc3ccccn3)c2)c1 733844186 HKGAXBUDPACXIH-NRFANRHFSA-N 432.549 5.377 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccc(Br)cc2)C(C)C)c1 733850444 MYXPCDWIHYNJCS-FQEVSTJZSA-N 444.373 5.250 30 20 IKED C[C@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nc2ccc(Cl)cc2[nH]1 734323816 XVUPNRIXLCCYGO-HNNXBMFYSA-N 430.895 5.158 30 20 IKED C[C@@H](c1ccccc1)N1CCC(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 734930781 YOSPWLTWUUHAEE-IDISGSTGSA-N 438.575 5.689 30 20 IKED CN(C)CC1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2)CC1 737685332 QCSVFNOGMSGKIQ-UHFFFAOYSA-N 438.575 5.256 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)OC(=O)CCc3c(C)nc(O)c(C#N)c3C)s2)cc1 739305281 WOWCWGKWXAOPSU-QGZVFWFLSA-N 435.549 5.253 30 20 IKED CC(C)OCc1c(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)oc2ccccc12 739597770 DTZARJDOKYIFDY-UHFFFAOYSA-N 430.529 5.888 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)O[C@H](C)c1nnc(-c2ccc(C)cc2)o1 740326810 AQLBRIDAYQIIAP-CQSZACIVSA-N 432.398 5.547 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)cc1 741431875 UNGOJYIACAVBIA-HSALFYBXSA-N 444.453 5.379 30 20 IKED C#CCOc1ccc(F)cc1NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 741641376 POFMJMLSXXTPAW-UHFFFAOYSA-N 434.414 5.161 30 20 IKED O=C1/C(=C\c2ccc(Oc3cnccn3)cc2)CCc2nc(-c3ccc(F)cc3)sc21 743056581 ZQRWKDGKEPPDKF-LGMDPLHJSA-N 429.476 5.744 30 20 IKED N#Cc1ccc(CN(Cc2nc3ccccc3n2C(F)F)c2ccc3nc(O)[nH]c3c2)cc1 744406244 HYLHASVRJYBYPO-UHFFFAOYSA-N 444.445 5.092 30 20 IKED O=C(/C=C\c1c(Cl)nc(Cl)n1-c1ccccc1)c1cccc(N2CCOC2=O)c1 745626310 MHAAIJPNYPWSIO-KTKRTIGZSA-N 428.275 5.032 30 20 IKED CC(C)Oc1cc(CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C2CC2)ccn1 752187417 VOWJGANVPGUDSK-VWLOTQADSA-N 440.547 5.721 30 20 IKED C[C@H](CSc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 756222273 BRCCTFGGTGQESP-WBMJQRKESA-N 441.553 5.019 30 20 IKED C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)N1CCO[C@@H](c2cccc(C#N)c2)C1 761760975 XKRAHLYBMGJWKT-SPLOXXLWSA-N 428.319 5.655 30 20 IKED COc1ccccc1OC[C@H](C)CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 763933043 XMTDOZVNZBJEJQ-XXBNENTESA-N 429.520 5.187 30 20 IKED CC[C@H](C)n1ncc2c(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cc(C)nc21 764752652 RFSMRLGLLVEKDN-VIFPVBQESA-N 447.326 5.039 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(CCCF)C2=O)c1 767735230 ROMQZEHRVKKWDJ-QQTIRALQSA-N 447.601 5.114 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1C#N 767857155 BLNUWNSWAYLVON-OAHLLOKOSA-N 446.429 5.167 30 20 IKED COc1ccccc1-c1ccc([C@H](C)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1 777116485 UTCFERRQWCZJIY-IBGZPJMESA-N 427.548 5.368 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cccnc2-c2ccc(C)s2)ccc1OC 782915264 XVBWNDZEBTXHBN-QGZVFWFLSA-N 436.537 5.130 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1ccc2c(c1)CCC2)c1nc2cc(C(F)(F)F)ccc2s1 783359254 SEBNSNJNGFLUQE-KRWDZBQOSA-N 442.462 5.643 30 20 IKED Cn1cc(CN2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)c(-c2ccc(C#N)cc2)n1 785963145 BXBLDCKPVCIFEW-UHFFFAOYSA-N 448.570 5.109 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(CNC(=O)OC(C)(C)C)c1 786922488 IGSBQXPZFQWPFM-MRXNPFEDSA-N 425.554 5.215 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cnn(C(C)(C)C)c2C)cs1 787186197 MLXSNIOWTAEKHI-FLIBITNWSA-N 442.972 5.637 30 20 IKED CCOc1cc(/C=C/C(=O)c2cnn(C(C)C)c2C)ccc1OCC(=O)Nc1ccccc1 787186223 GXTTYMDVLWQLPB-ACCUITESSA-N 447.535 5.085 30 20 IKED C[C@@H](N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc(OCC#N)cc1 788984749 MYERJTYTGPOZPC-HXOBKFHXSA-N 436.353 5.381 30 20 IKED Cc1ccsc1C(=O)Nc1ccc(OC(=O)c2cc(-c3cccc(C#N)c3)no2)cc1 789930827 FTHHNHZRUIFNQX-UHFFFAOYSA-N 429.457 5.055 30 20 IKED C#CCC1(OC(=O)[C@@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)CCC1 810749847 WUBPOZXOLABTNS-OAHLLOKOSA-N 438.574 5.175 30 20 IKED Cc1c(Br)c2ccccc2n1CC(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813218897 UQUUNOJHGSMFKU-CQSZACIVSA-N 436.231 5.003 30 20 IKED CC(=NNc1ncnc2scc(-c3ccc(C)cc3)c12)c1cccc(-n2cnnc2)c1 814769536 RSFAYPWGBPZVDG-UHFFFAOYSA-N 425.521 5.084 30 20 IKED C=CCc1cc(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc(OC)c1OC 914744373 URSVEAOTHHNJJO-FICVDOATSA-N 439.396 5.072 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 915351788 GJGOWJWFPFWMIU-DHIUTWEWSA-N 430.577 5.362 30 20 IKED N#Cc1ccccc1/C=C\C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 915871263 ZINGXYYGBXDGAC-RAXLEYEMSA-N 435.405 5.481 30 20 IKED Cc1ccc(C2=CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2)cc1 916719560 AUUXGQCDZHGQDK-UHFFFAOYSA-N 437.543 5.961 30 20 IKED CC(C)c1ccc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc3ccccc3s2)cc1 916846369 RBOWOUHNGAOLMR-SFHVURJKSA-N 432.574 5.574 30 20 IKED CC(C)Cc1ccc(C(=O)CCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 916932129 PZLGGDAVYYQCKC-GOSISDBHSA-N 445.346 5.502 30 20 IKED CCc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(C(C)(C)C)cc2)cc1 917613652 PQBCGMMNCZWECK-UHFFFAOYSA-O 442.608 6.029 30 20 IKED COc1ccc(-c2nc(/C=C3\SC(=S)N(c4ccccc4C#N)C3=O)cs2)cc1 917644596 IZGUNKPXHXPURF-ZDLGFXPLSA-N 435.555 5.096 30 20 IKED Cn1c2ccccc2c2cc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)sc21 920806680 NUNGEBLFBIEDDO-AWEZNQCLSA-N 449.507 6.285 30 20 IKED C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(N2CCOC2=O)cc1 920953050 YQOOJOHVIRBYAR-KRWDZBQOSA-N 443.528 5.157 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C(C)(C)C)nc3)CCC2)cc1 1786676291 FRRZQDGDIVBACC-UHFFFAOYSA-N 437.609 5.046 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCc3cccc(C)n3)cc2)CCC1 1786739209 XFPLHDKNNAJVTA-XMMPIXPASA-N 431.580 5.225 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4[nH]c(C)cc4c3)cc2)CCC1 1790989586 JKBAHXKGGZZVPU-UHFFFAOYSA-N 427.548 5.418 30 20 IKED C[C@H]1CC[C@H](C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)CC1 1791970999 CPNLIXJLEGAWMC-XUTJKUGGSA-N 429.564 5.327 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)cnc2Cl)n[nH]1 1816619726 GJTMEYQDWZSRPU-GOSISDBHSA-N 443.979 5.065 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(F)cc2F)CC1 1828827808 VOPLGCYUEHMOIC-FDDCHVKYSA-N 448.529 5.106 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)c(F)c2)CC1 1829068579 FWBIDLMRHPMWNJ-QFIPXVFZSA-N 432.555 5.191 30 20 IKED Cc1cc(Cl)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)c1 1829957198 CVWVTSQLUKISPE-DEOSSOPVSA-N 449.982 5.067 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(Cl)c2C)CC1 1831441776 GDEQXQKYXGLQBI-FQEVSTJZSA-N 438.946 5.093 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(C)cc2)cc1 10173250 LGCRWCORGGYQFA-UHFFFAOYSA-O 445.652 6.854 30 20 IKED O=C(/C(=C(\S)Nc1ccc(F)c(Cl)c1)[n+]1cccc(O)c1)c1ccc(Cl)cc1 10754201 MUAWMDZNPCEFOP-UHFFFAOYSA-O 436.315 5.177 30 20 IKED N#Cc1ccc(CSc2nnc(/N=C(\O)c3cc4c(F)cccc4s3)s2)cc1 21335295 ADYLSOPJGJKBCR-UHFFFAOYSA-N 426.523 5.692 30 20 IKED C=CCn1c(SCc2nc3ccccc3o2)nnc1-c1ccc(Br)cc1 21339557 QZWICUPXUSWZTM-UHFFFAOYSA-N 427.327 5.327 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)n1 21514666 JCMMDGLWMCYSBA-SECBINFHSA-N 434.270 5.707 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[C@H](C)CC)nnc1-c1ccc(F)cc1 22100704 KUAOIPJCFLGLGZ-SJORKVTESA-N 438.572 5.903 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(F)ccc1F)=C(/S)Nc1ccccc1Cl 22730380 VGEFOTMTNMUILR-UHFFFAOYSA-O 431.915 5.519 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)nnc1-c1ccco1 23202339 UEDRNCAHQFHQFG-GFCCVEGCSA-N 447.442 5.646 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1ccco1 28503994 TVGKZIBDXGZSBG-KRWDZBQOSA-N 446.532 5.636 30 20 IKED C=CCn1c(Sc2nccc(C(F)(F)F)n2)nc2scc(-c3ccccc3)c2c1=O 29382722 OVASMPZFSPAQQV-UHFFFAOYSA-N 446.479 5.271 30 20 IKED CC(=O)N(c1nc(/C=C2\CCc3cc(O)ccc3C2=O)cs1)c1ccc(F)cc1F 60364428 GJNSRUCJGZBJBW-RIYZIHGNSA-N 426.444 5.024 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(SC(F)(F)F)cc2)cc1 108374399 OIHOSWGVNMVIEN-UHFFFAOYSA-N 442.462 6.196 30 20 IKED C[C@H](NC1(CNC(=O)c2ccc(COc3ccccc3C#N)o2)CCCC1)c1ccccc1 303361967 JIVVKPWRLUZXIO-FQEVSTJZSA-N 443.547 5.124 30 20 IKED Cc1ccc(Nc2nnc(SCc3nnc(-c4ccc(C#N)cc4)o3)s2)cc1Cl 303857869 FWXKDHVLVJMPRU-UHFFFAOYSA-N 440.941 5.458 30 20 IKED Cc1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1NC(=O)C(C)(C)C 428708635 JZSGRHJQWVJJRU-UHFFFAOYSA-N 429.524 5.009 30 20 IKED COC(=O)c1nc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)sc1C1CC1 430399774 HQSKTHXFROBZFK-UHFFFAOYSA-N 449.557 5.223 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCOc2c(F)cccc2C1 433215880 RZLRLTVJZPINIK-UHFFFAOYSA-N 431.467 5.011 30 20 IKED COc1ccc([C@@H](CNC(=O)[C@@H](C#N)CCc2ccccc2)c2c[nH]c3ccccc23)cc1 433225204 AIOURKXNBMPPQF-RCZVLFRGSA-N 437.543 5.197 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CCCc2nc(-c3cccs3)no2)cc1F 437474682 KPABUKRPHDBFDA-UHFFFAOYSA-N 448.479 5.563 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@@H](Cc3ccccc3)C2)cc1 437910650 QPNCUVAKKTXKHV-QHCPKHFHSA-N 425.532 5.428 30 20 IKED CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 438209714 DONSJQXENKDHPZ-HSZRJFAPSA-N 440.547 5.336 30 20 IKED N#CCC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1)c1ccccc1 439425029 QUWMBSRPPQTGJF-OAQYLSRUSA-N 433.895 5.232 30 20 IKED CC(C)Oc1ccc(Br)cc1NC(=O)c1cc(-c2cccc(C#N)c2)no1 447563806 FQOCGECTVDHKAX-UHFFFAOYSA-N 426.270 5.015 30 20 IKED COc1ccccc1NC(=O)C1CCN(c2c(C#N)cnc3ccc(C(C)C)cc23)CC1 447673336 XOHJJXPQKTWCBV-UHFFFAOYSA-N 428.536 5.094 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)c1ccc(CN2CCCC2=O)cc1 460152168 SCJKKPJANHVDOC-UHFFFAOYSA-N 443.934 5.181 30 20 IKED C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 460554784 RUBZCHHRGTWBJK-JOCHJYFZSA-N 431.584 5.088 30 20 IKED Cn1cc(CNCc2ccc(Oc3ccc(F)c(F)c3)cc2C(F)(F)F)c(C(F)F)n1 462782392 BRPPKQLUIIASDK-UHFFFAOYSA-N 447.354 5.737 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)cc1 463221001 RUNIJWXMLPKLRV-FTJBHMTQSA-N 443.522 5.329 30 20 IKED CC(C)c1nn(C)cc1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 464292423 FCPXUPVAYUFWND-UHFFFAOYSA-N 428.414 5.479 30 20 IKED C[C@@H](CC(=O)N(CCC(F)(F)F)CC(F)(F)F)c1ccc(F)c(Br)c1 464529269 RJOYIXYRPMYXGE-VIFPVBQESA-N 438.181 5.425 30 20 IKED Cc1cnc([C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)s1 466119656 YIJLEGWEOZVPNU-TZIWHRDSSA-N 436.968 6.033 30 20 IKED COc1ccccc1-c1noc([C@@H](C)NC(=O)Nc2cccc(C#Cc3ccccc3)c2)n1 466528504 LJFDQHVIXXCQJM-GOSISDBHSA-N 438.487 5.028 30 20 IKED C[C@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@H](c2ccsc2)O1 470789999 VMWFOJVEROWFKE-MHECFPHRSA-N 447.560 5.387 30 20 IKED CC(C)n1c([C@@H]2CCCN2CC(=O)Nc2ccccc2SCC#N)nc2ccccc21 471033071 NEUFUDNSUMRCSI-NRFANRHFSA-N 433.581 5.008 30 20 IKED Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)c1occc1COc1cccc(C#N)c1 472836745 ZWPZVDIQZLYRMD-GOSISDBHSA-N 426.476 5.097 30 20 IKED C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 473549243 JMNFKKIBLRZSHT-AZYRPFHASA-N 436.508 5.060 30 20 IKED N#CC[C@H](CC(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccccc1 474905251 JJQCQPZEQHZFKX-QPPBQGQZSA-N 426.495 5.120 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCCC[C@@H]3c3nc4ccccc4o3)o2)cc1 475149957 GMHUOCAUPCVTLL-OAQYLSRUSA-N 427.460 5.239 30 20 IKED N#CC[C@@H](CC(=O)N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)c1ccccc1 476617301 DFLZCEXDSPKXCY-YJBOKZPZSA-N 430.348 5.392 30 20 IKED C[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)N1CCc2sccc2C1 477441385 VASYFQHIORHKNU-GOSISDBHSA-N 447.629 5.089 30 20 IKED COc1cc(C(=O)N(C2CC2)C2(C#N)CCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 477447076 WQUZUATZQBFCTE-UHFFFAOYSA-N 441.871 5.100 30 20 IKED C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 479553820 FBBSDWMUCYGNIH-MEDUHNTESA-N 427.348 5.214 30 20 IKED Cn1cc([C@@H](NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c2ccc(F)cc2)cn1 480553835 MQNJGMNFMJHPKP-DEOSSOPVSA-N 441.466 5.134 30 20 IKED C[C@H](N[C@H](c1ccc(F)cc1)c1cnn(C)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 480695445 JVROHDPVESJOFH-HXPMCKFVSA-N 445.382 6.037 30 20 IKED Cc1onc(-c2cccc(Cl)c2)c1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 483486605 PPTXDTGEOOXPLN-AWEZNQCLSA-N 426.810 5.538 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCOc4cc(Cl)c(Cl)cc43)cc2)nc1 484657910 VCDINDSMUJYWGL-UHFFFAOYSA-N 426.259 5.092 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cnn(-c2ccc(C)cc2)c1C(C)C 484826054 ATDIHCSFZFCFGH-UHFFFAOYSA-N 433.512 5.432 30 20 IKED CCc1c(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cnn1-c1ccc(Cl)cc1 485312646 RBRHCEUIFDGVEO-NFBKMPQASA-N 433.943 5.392 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3ccn(-c4ccc(F)cc4F)n3)o2)cc1 486079200 LUMSVCVOOUQDBJ-UHFFFAOYSA-N 426.448 5.058 30 20 IKED N#Cc1ccccc1Oc1ccc(NCC(=O)N(Cc2ccco2)CC(F)(F)F)cc1F 487403986 UBJIVQMEUSUYCG-UHFFFAOYSA-N 447.388 5.086 30 20 IKED Cc1c(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cccc1N1CCNC1=O 487683976 FMRFBTCSYVCVBG-UHFFFAOYSA-N 446.894 5.094 30 20 IKED CC(C)(C#N)c1ccccc1CN1C(=O)[C@@H](c2cccs2)N(Cc2ccccc2)C1=O 488680003 WYRODYXXDRWUEJ-JOCHJYFZSA-N 429.545 5.255 30 20 IKED C=CCn1c(SCc2cccc(C(=O)NCc3ccco3)c2)nnc1-c1cccs1 489463270 ZPRRAILZHCJQNO-UHFFFAOYSA-N 436.562 5.008 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(SC)cc3)o2)cc1 489783909 WWVVXVQEESMAJW-AWEZNQCLSA-N 427.551 5.143 30 20 IKED CCN(C(=O)CCCCOc1cccc(C#N)c1)[C@H](c1ccc(Cl)cc1)c1cccnc1 496518139 PHMCQPNMHYCACX-AREMUKBSSA-N 447.966 5.794 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1CN1CCCCCC1 497776859 UPDKJPZMBGFUKF-FQEVSTJZSA-N 436.625 5.636 30 20 IKED O=C(COc1ccccc1C(F)(F)F)Nc1ccc(F)cc1OCCC(F)(F)F 500209755 ZIPGMCUMGRVTQW-UHFFFAOYSA-N 425.300 5.193 30 20 IKED Cc1cc(C)n(Cc2cccc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2)n1 501367306 YRBQQEAVFADGMC-GOSISDBHSA-N 448.498 5.440 30 20 IKED N#C[C@@H](NC(=O)c1cccc(Oc2ccncc2)c1)c1ccc(OCc2ccccc2)cc1 505342889 IOLOIZNQMXWDGD-AREMUKBSSA-N 435.483 5.448 30 20 IKED C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2cccs2)C1 508471296 FWQVMURUXVYILR-KRWDZBQOSA-N 433.002 5.049 30 20 IKED C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C(=O)c2ccccc2)CC1 508839350 DTXRWJSMNFZWFO-NRFANRHFSA-N 444.579 5.320 30 20 IKED COc1ccc([C@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C(C)C)cc1 511353588 NNAYGVFTYWNZDY-AREMUKBSSA-N 443.547 5.859 30 20 IKED CC(C)Oc1ccc(Cl)cc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 512313542 LGLXKGMAHAXILY-UHFFFAOYSA-N 434.923 6.025 30 20 IKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)sc2C)cc1 512970389 RDFYZGFFADHKRF-LJQANCHMSA-N 431.542 5.741 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccccc2OCC(F)(F)F)c1 513128602 GMCKSWHAIYIQGB-UHFFFAOYSA-N 426.394 5.331 30 20 IKED C=CCOc1c(Br)cc(CNc2cc(NC(=O)CC)ccc2C)cc1OCC 513583426 YLFHXCNEOKKXII-UHFFFAOYSA-N 447.373 5.682 30 20 IKED COCc1c(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)sc2cccc(F)c12 517667234 YZODLGJSKGIIHX-UHFFFAOYSA-N 438.524 5.178 30 20 IKED C[C@H](c1ccccc1F)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 518104555 FOEKLAMVLDSGGJ-IIBYNOLFSA-N 449.913 5.293 30 20 IKED C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)CSCc1ccc(C#N)cc1 519118173 IFBOBSCSDYLBJO-ZUOKHONESA-N 447.423 5.153 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)CC1(CC(=O)Nc2nccs2)CCCCC1 520340061 UGWPBZUKEGHZHL-UHFFFAOYSA-N 440.569 5.110 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nnc(Cc2ccccc2F)s1 521716070 GCLKMEZTFKGLPU-UHFFFAOYSA-N 446.532 5.543 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1C 521786409 XTKDBXQOYTWSJU-UHFFFAOYSA-N 436.606 6.227 30 20 IKED C=CCn1c(Sc2cc(C(F)(F)F)nc(-c3cccnc3)n2)nnc1-c1ccccc1 523974628 GRPIYKOCJCXQKY-UHFFFAOYSA-N 440.454 5.153 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1ncc(-c2ccccc2F)o1 525110648 BAPJHVSRNPUKNJ-UHFFFAOYSA-N 440.475 5.269 30 20 IKED CC(C)(C)c1ccc(Oc2ccc(C(=O)Nc3ncccc3OCCCC#N)cn2)cc1 525455775 LFFZBQCCQMSKKU-UHFFFAOYSA-N 430.508 5.501 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 534140534 XUKIOLKSZHUUAE-UHFFFAOYSA-N 442.906 6.059 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)c2ccccc2OCc2cscn2)cc1 539099476 CHRBGQIMSBDONA-UHFFFAOYSA-N 425.513 5.191 30 20 IKED CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 544483033 QMGDPMACKOAUIN-ROUUACIJSA-N 449.366 5.856 30 20 IKED C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1cccs1 549948016 GWWYOWMYQCLPJH-INIZCTEOSA-N 441.988 5.311 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1c(-c2c(Cl)cccc2OC)noc1C 553455420 SPBWRYFGWOTZQI-UHFFFAOYSA-N 442.947 5.308 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3C[C@H](c4ccccc4)[C@@H]4COCC[C@H]43)cc2)cc1 554415317 NWBKNBACDFCHTC-UODIDJSMSA-N 439.515 5.387 30 20 IKED C=CCOc1c(Br)cc(CNc2ccnn2Cc2ccc(C)s2)cc1OC 556065751 VGQPBVYHIIMQLN-UHFFFAOYSA-N 448.386 5.249 30 20 IKED COc1ccc(NC(=O)c2ccc(F)c(C#N)c2)cc1OCc1ccc2ccccc2n1 556356573 ZGYDWHLEBFJQPA-UHFFFAOYSA-N 427.435 5.085 30 20 IKED O=C(Nc1ncc(C(F)(F)F)s1)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 558798345 GSBBNZUTHQPKTB-CQSZACIVSA-N 427.345 5.283 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2sc([C@@H]3CCCOC3)nc2C)cc1 559395482 QZKCPDMVFKEEHW-QGZVFWFLSA-N 449.532 5.270 30 20 IKED C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1c(F)cncc1F 566355860 QYTYTPWLFAWTRA-ZDUSSCGKSA-N 442.853 5.347 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@H](c3c[nH]c4ccccc34)C(F)(F)F)cc2)nc1 569371163 NOTSPVXNUIPTNJ-OAQYLSRUSA-N 436.393 5.260 30 20 IKED CN(Cc1ccc(Br)cc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 570103390 VKBUMYKVJGHMNT-UHFFFAOYSA-N 437.297 5.172 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1OC 579534494 XDEYDTMERCKPBO-JOCHJYFZSA-N 444.491 5.132 30 20 IKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nccn1-c1ccccc1 582380457 AZVGPBCQCNSASW-IBGZPJMESA-N 438.556 5.527 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H]3CCCO[C@H]3c3ccccc3)cn2)cc1 604428863 IQQYUBCKXUMOJT-YKSBVNFPSA-N 428.492 5.035 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cn2)cc1C 609206680 QAZIRBNYIQDOMT-UHFFFAOYSA-N 442.519 5.438 30 20 IKED Cc1ccc(-c2cc(CSCC(=O)Nc3ccccc3SC[C@H](C)C#N)on2)cc1 609388796 KBHAFFSQAVJYCJ-QGZVFWFLSA-N 437.590 5.774 30 20 IKED C[C@H](C#N)CSc1ccccc1NCc1nc(Cc2cccc(Br)c2)no1 609450230 AAHRPFYHTGHJBH-CQSZACIVSA-N 443.370 5.287 30 20 IKED Cc1ccccc1C[C@H]1CCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 609636097 PQMQKAKOCOQSLI-RUZDIDTESA-N 438.531 5.358 30 20 IKED COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(C#N)c1 610408130 JWFJWGLMVOSOES-RTWAWAEBSA-N 427.548 5.471 30 20 IKED N#CCn1c(C(=O)Nc2ccc(Cl)cc2-c2nc(C3CCCC3)no2)cc2ccccc21 610650278 GJAAARZAGMTBEQ-UHFFFAOYSA-N 445.910 5.778 30 20 IKED C[C@@H](c1ccccc1)n1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)n1 610746261 XGKLAUZRVJPJMZ-IBGZPJMESA-N 438.556 5.909 30 20 IKED N#C[C@H](C(=O)c1cnc2c(cnn2Cc2ccccc2)c1)c1nc2cc(Cl)ccc2s1 613403257 NAUXRXGQIHVREN-GOSISDBHSA-N 443.919 5.233 30 20 IKED CCCc1c(NC(=O)Nc2ccc(-c3nc(C)c(C)o3)cc2)cnn1-c1cccc(C#N)c1 615180185 BHTMOVMYFTXKCV-UHFFFAOYSA-N 440.507 5.612 30 20 IKED COc1ccc(Cc2nc(C)c([C@@H](C)N[C@H]3CCc4cc(C#N)ccc43)s2)cc1OC 618802573 FITXRFWFYCJINY-VFNWGFHPSA-N 433.577 5.269 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccccc2Cl)cc1)c1nc(-c2ccncc2)cs1 673812316 VCBHYYAXFOQCQD-GOSISDBHSA-N 431.904 6.141 30 20 IKED CCOc1ccc(C(F)(F)F)cc1NC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674561723 XXJNIDINHSJOEJ-NXEZZACHSA-N 438.290 5.309 30 20 IKED N#C[C@H](C(=O)c1ccc(CCC(F)(F)F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 676998611 XCBSUBCCNWUCAN-CQSZACIVSA-N 442.384 6.300 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)NCc2ccc(C(F)(F)F)cc2C)c1C(F)F 682438556 IGJBKQTYGHXURC-UHFFFAOYSA-N 429.311 5.117 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](c2ccccc2)C2CCCCC2)ccc1OC 733642128 BXIJYTYDJIFVDW-WIOPSUGQSA-N 435.568 5.497 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)C3CCOCC3)cn2)c1 734644777 VQTHXICGQAIACM-XMMPIXPASA-N 428.492 5.035 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 739533477 DFBQXOPNRPITCR-IRLDBZIGSA-N 435.524 5.291 30 20 IKED Cc1nnc(-c2cccc(C#N)c2)n1CN(C1CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 739839054 CABLLXLVGJDDKL-HNNXBMFYSA-N 425.458 5.327 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NC[C@H](O)c3c(Cl)cccc3Cl)c2)cc1 740941159 NQMHGPBFFFFTPJ-FQEVSTJZSA-N 427.287 5.121 30 20 IKED COc1ccc(N=c2scc(-c3ccc(N4CCOC4=O)cc3)n2CCCCC#N)cc1 741453741 WOQICBGTOYAODH-UHFFFAOYSA-N 448.548 5.108 30 20 IKED CC(=NNc1c(F)c(F)nc(F)c1F)c1cnn(-c2ccc(Cl)cc2Cl)c1C 743426924 GSLJWBILDUSPFC-UHFFFAOYSA-N 432.208 5.275 30 20 IKED FC(F)(F)c1cc(NN=C2COc3cc(Cl)cc(Cl)c32)nc(-c2ccccn2)n1 743440796 ZDIHLYDXYXLNKC-UHFFFAOYSA-N 440.212 5.073 30 20 IKED O=C1Nc2ccccc2C12CCC(=NNc1nc3cc(C(F)(F)F)ccc3s1)CC2 743444347 KLBFUARQSAJGMF-UHFFFAOYSA-N 430.455 5.547 30 20 IKED Sc1nnc([C@H]2CCCCO2)n1N=Cc1ccc(-c2ccccc2Br)s1 743452559 ZVUYOZWLPFPTFR-OAHLLOKOSA-N 449.399 5.182 30 20 IKED Cc1nc(-c2cccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2)cs1 744030220 BBKAINWVAVJRRF-OAHLLOKOSA-N 430.316 5.387 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C(/C)c2cccc(C(F)(F)F)c2)cc1Cl 744032448 KCXUZKREUJFBJY-LJEUOOAZSA-N 436.817 5.118 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1NC(=O)OC(C)(C)C 744036753 HZICZVCGSMDQOZ-GOSISDBHSA-N 433.533 5.956 30 20 IKED C/C(=C\C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1C(F)(F)F 744063103 XOISSNUKMJOANQ-MDNBWPLSSA-N 437.446 5.980 30 20 IKED CC[C@H](C)n1c(SCC(=O)[C@H](C#N)c2nc(C(C)C)cs2)nnc1-c1ccccc1 747197981 QOWHGNLORYWGOG-RDJZCZTQSA-N 439.610 5.465 30 20 IKED COc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(F)c3)C2=O)cc1OCCCC#N 747473127 SHLBCIXFKDDHSW-UDWIEESQSA-N 442.537 5.231 30 20 IKED CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)Nc1ccccc1SC[C@H](C)C#N 751548225 QBPAQCAVRJWQEP-UTKZUKDTSA-N 429.561 5.301 30 20 IKED N#CCC[C@@H](NC(=O)N(Cc1ccccc1)C[C@]1(O)CCc2ccccc21)c1ccccc1 752684837 OUMDFEVFJSBREP-IXCJQBJRSA-N 439.559 5.077 30 20 IKED COc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2cnc(-c4ccccn4)s2)CC3)cc1 753144632 OQWSPMBUWIZPKP-NTCAYCPXSA-N 431.542 5.550 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1NCC(=O)Nc1ccccc1SCC#N 753908719 RQWVZJGELFYCGL-UHFFFAOYSA-N 426.542 5.008 30 20 IKED C#C[C@@H](CC)NC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 754680255 PIBNZKOZDHKKGE-KRWDZBQOSA-N 425.604 5.097 30 20 IKED C#CCN(Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1)[C@@H]1CCc2ccccc21 756485423 FQCXOABOBQWPQU-RUZDIDTESA-N 429.589 5.567 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2C2CC(F)(F)C2)cc1 757894137 HQACXXOSECZPRN-LJQANCHMSA-N 443.519 5.061 30 20 IKED C[C@H](c1ccccn1)N(C(=O)CSCc1ccc(C#N)cc1)c1ccc(N(C)C)cc1 766588246 VBSVWBLRYTVBHL-LJQANCHMSA-N 430.577 5.047 30 20 IKED CC(C)C[C@H](NC(=O)OC(C)(C)C)c1noc(-c2cn(CCCC#N)c3ccccc23)n1 766891908 NLZIUGCMXSBHAR-IBGZPJMESA-N 437.544 5.607 30 20 IKED CCOc1c(Cl)cc(C=NOCc2nc(C)c(-c3ccc(Cl)cc3)o2)cc1OC 768512580 RDQVVSVXYPIUEF-UHFFFAOYSA-N 435.307 5.915 30 20 IKED C[C@H](OC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)N[C@H](C)c1ccc(Cl)cc1 769546483 KZIDPLLMZBCOJR-SJORKVTESA-N 437.927 5.021 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(N2C(=O)[C@@H]3c4ccccc4CCN3C2=O)cc1Cl 771814804 AAMSUYVIIKGSRC-GMAHTHKFSA-N 427.891 5.061 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnc(Cc3ccccc3F)s2)cc1 773977138 MGORIWJBJQBVJK-DNVCBOLYSA-N 435.524 5.348 30 20 IKED C=CC[C@@H](OC(=O)CCSCc1nc(O)c2c3c(sc2n1)CCC3)c1ccccc1 778737610 OSTRFPQGSRCJMS-QGZVFWFLSA-N 440.590 5.370 30 20 IKED CC(C)Oc1ccc(-c2cccc([C@H](C)N(C)C(=O)NCc3ccc(C#N)cn3)c2)cc1 780651697 RHJNRAHAPQFZMZ-IBGZPJMESA-N 428.536 5.310 30 20 IKED C#CCC1(C(=O)Nc2ccc(NC(=O)[C@H](C)n3nc(C)cc3C)c(Cl)c2)CCCCC1 788436045 BQGXGRKDJUYGBC-SFHVURJKSA-N 440.975 5.265 30 20 IKED N#CCCn1cc(CNc2ccc(CC[C@@H](O)c3ccccc3)cc2)c(-c2ccncc2)n1 788524949 YATPFEUMAXUZQQ-AREMUKBSSA-N 437.547 5.137 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C(C)(C)c1ccc(Cl)cc1F 789222597 LUZBFIMFUYTNGW-AWEZNQCLSA-N 448.947 5.190 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 789449630 IDHSCVPTYGHSPO-UHFFFAOYSA-N 441.616 5.793 30 20 IKED O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 790581443 BLIGSKBEZWBWSF-UHFFFAOYSA-N 440.396 5.016 30 20 IKED C[C@H](Oc1ccc(Cl)cc1Br)C(=O)[C@H](C#N)c1nccc2ccccc12 792103102 RKXRVOVYGKCTGG-BLLLJJGKSA-N 429.701 5.294 30 20 IKED N#CC1(CCCOC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)CCOCC1 800154384 OLPGGWIMSIOHFE-UHFFFAOYSA-N 425.337 5.374 30 20 IKED N#C[C@@H](C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 802045811 QYKAOCGFPYPKFU-SWLSCSKDSA-N 446.347 6.221 30 20 IKED COc1cc(CNCc2c(C)nn(-c3cccc(C(F)(F)F)c3)c2Cl)ccc1C#N 810169820 ZZZIPGQZRFUXPT-UHFFFAOYSA-N 434.849 5.023 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 811613088 UCTMGUGBUQIQJE-UHFFFAOYSA-N 443.894 5.205 30 20 IKED N#C[C@@H](C(=O)COc1ccc(C2SCCCS2)cc1)c1cc(C(F)(F)F)ccn1 813212244 ADIWDCIDTGBLID-MRXNPFEDSA-N 438.496 5.224 30 20 IKED Cc1ccc(N2C(=O)CC[C@H](C(=O)N(C)Cc3cccc(C#N)c3)[C@@H]2c2cccs2)cc1 914490790 JMSHBOFAQGCGQW-WIOPSUGQSA-N 443.572 5.071 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCNC(=O)c2ccc3ccccc3c2)cc1 915085564 NPWXITZEOQROLC-SANMLTNESA-N 433.511 5.254 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cn3c(C(F)(F)F)nc4ccccc43)n2)cc1 915102278 UWMAJSRWDNZXQF-OAHLLOKOSA-N 440.450 5.364 30 20 IKED CCOc1ccc([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OCC 915350167 KJZLVVCFEMKXBR-YADARESESA-N 443.547 6.022 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\C(=O)c1ccc(OCC#N)cc1 916152212 RAQZVEWCQZXJIG-KHPPLWFESA-N 426.303 5.345 30 20 IKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CC2)cc1 916206833 STQANSVNQKCVCK-HXUWFJFHSA-N 425.529 5.072 30 20 IKED Fc1c(F)c(F)c(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)c(F)c1F 916582126 LRFPNJOJKLOBHK-UHFFFAOYSA-N 439.196 5.118 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1sc2ccccc2c1Cl 916901377 GLKMZKKTCKSVFX-GFCCVEGCSA-N 433.316 5.486 30 20 IKED Cc1cccc(COc2cccc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)c2)c1 916915672 HHWGUELMMITIMR-RUZDIDTESA-N 434.495 5.688 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2c(s1)-c1ccccc1OC2 916927409 IYFPLRHYEFIQEP-CQSZACIVSA-N 443.311 5.575 30 20 IKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)CCN1c2ccccc2Sc2ccccc21 916930765 KGHYLJCXUZSNLC-KRWDZBQOSA-N 443.528 5.036 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cccc(C(F)(F)F)c3)CCC2)cc1 1786679596 YNDYGUMSTSOILH-UHFFFAOYSA-N 448.510 5.372 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(C(F)(F)F)coc3C)cc2)CCC1 1788789724 MCSODPXXVPYEGP-AWEZNQCLSA-N 434.458 5.567 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)CCc4c[nH]c5ccc(F)cc45)cc3)CCC2)C1 1791486801 FQSZFVVELGAQJT-UHFFFAOYSA-N 445.538 5.340 30 20 IKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3c(Cl)cccc3s1)C2 1801695582 XYVSFCJRABRDQH-BTTYYORXSA-N 438.927 5.018 30 20 IKED CCCCc1ccc(-c2ccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)CC#N)C4)c(C)c2)cc1 1803921761 RCKVWRRYPKYFTB-QEIWAGNOSA-N 443.591 5.170 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3[nH]ccc3s2)n[nH]1 1818786672 OVEVFDWYNNQPBE-SFHVURJKSA-N 437.569 5.027 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCCCC(C)(C)C)[nH]n1 1820976194 HSEVEYARQGDNOF-AZUAARDMSA-N 447.624 5.199 30 20 IKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1828497695 FSBIKZWMIZLHSY-QHCPKHFHSA-N 439.987 5.006 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(F)cc2)CC1 1831686728 VISGZWOVLKYXBO-VWLOTQADSA-N 440.603 5.146 30 20 IKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)COC(=O)C4CC4)c3C#N)C(C)(C)C2)o1 10730291 YVKUKLPKCIVFLO-WEVVVXLNSA-N 436.533 5.191 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccc(CC)cc2)cc1 11259074 OAFJJWHWECRUNZ-UHFFFAOYSA-O 438.016 6.112 30 20 IKED C=CCn1c(SCc2csc(-c3ccc(Cl)cc3)n2)nnc1-c1cccnc1 18405600 UTSBSXFDCOQPCW-UHFFFAOYSA-N 425.970 5.595 30 20 IKED C=CCn1c(C)cc(C(=O)CSc2nnc(SCc3ccc(OC)cc3)s2)c1C 24718943 SAPQZARJEQRYSM-UHFFFAOYSA-N 445.635 5.418 30 20 IKED Cc1cc(N(CCC#N)C(=O)CSc2nc3ccccc3n2C(F)F)ccc1Cl 45643165 ZPCSQFUBYGZSKC-UHFFFAOYSA-N 434.899 5.432 30 20 IKED C=CCN(CCc1ccccc1)C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 62402302 OLTILNYQDLQPRR-UHFFFAOYSA-N 431.511 5.018 30 20 IKED C=CCN(CCc1ccccc1)C(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 62498923 MMWNEZWFIKQSCY-HXUWFJFHSA-N 445.538 5.579 30 20 IKED Cc1cc(C)cc([C@H](C)NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 303310349 ORMAPCHZIMXHQY-IBGZPJMESA-N 443.572 5.397 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cc1C(F)(F)F 429263038 HZDRDOBURCMCHG-UHFFFAOYSA-N 436.352 6.121 30 20 IKED CC(C)(C#N)CCCN(Cc1ccco1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 433612390 LDOCWHOWKAKHBJ-UHFFFAOYSA-N 448.894 5.473 30 20 IKED CC(C)(CO)[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1 437754648 BMZAIYCBCBRJRL-XMMPIXPASA-N 429.520 5.274 30 20 IKED CN(Cc1ccccn1)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 438544712 GSMSTYUSHMGDQN-UHFFFAOYSA-N 426.398 5.428 30 20 IKED COc1ccc(CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C2CC2)cc1 438649339 MKXLMXIZTFQVFU-UHFFFAOYSA-N 431.467 5.695 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(Cc1ccccc1)[C@H](C)C(C)(C)C 441405952 LKPUKCZWOXRXQT-RTBURBONSA-N 437.609 5.340 30 20 IKED COc1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1OCC(F)(F)F 443945711 JNIYFQFBICHNFU-UHFFFAOYSA-N 431.414 5.147 30 20 IKED Cc1cc(NC(=O)c2c(Cl)cccc2Oc2ccc(F)c(Cl)c2)nn1CCC#N 444294435 YMHWOOFZMOPBCK-UHFFFAOYSA-N 433.270 5.596 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(Nc3ncccn3)cc2)cc1 444626948 BMABKYMQUOZQDH-UHFFFAOYSA-N 437.528 5.636 30 20 IKED CC(C)c1nn(C)c2sc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cc12 463391941 MWDAJSTYNRAQEU-UHFFFAOYSA-N 430.533 5.461 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 466068460 NBPWROCPPQDILV-PXDATVDWSA-N 427.504 5.558 30 20 IKED C[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)Oc1cccc(F)c1 466152179 DOTBPUXVHLTULU-SFHVURJKSA-N 435.474 5.016 30 20 IKED CSc1cc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)c(Cl)cc1Cl 471406524 UJMFFQYHVRXJDF-AWEZNQCLSA-N 430.154 5.472 30 20 IKED N#CC[C@H](CC(=O)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1)c1ccccc1 475323639 YPFYEPMQRLPBCK-HXUWFJFHSA-N 443.934 5.455 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(Oc2ccccc2OCC)nc1 475554541 SGOQZKRHWGZLHB-UHFFFAOYSA-N 445.563 6.446 30 20 IKED N#CC[C@H](CC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 475646481 FIIAYNVIYACQTE-UTKZUKDTSA-N 444.362 5.401 30 20 IKED C[C@@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1cccc(C(F)(F)F)c1 476621735 BUUOWDBMWWZQRJ-APMMTJHUSA-N 431.458 5.327 30 20 IKED CCN(C(=O)Cc1ccc(NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1)c1ccccc1 478330383 YCFBNYZFDAKJEE-UHFFFAOYSA-N 449.558 5.166 30 20 IKED N#CCC[C@@H](NC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccccc1 482404538 WEYVLKOEJVJUNH-SJORKVTESA-N 429.364 5.653 30 20 IKED Cc1cc(-c2noc([C@H](C)NCc3cccc(OCc4cccc(C#N)c4)c3)n2)ccc1F 483636599 JQQVDDYGFXRXOK-SFHVURJKSA-N 442.494 5.486 30 20 IKED Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)cc1 489663529 WDOWQJGPOSBVCO-NRFANRHFSA-N 434.952 5.775 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)Nc3c(C)cc(C)cc3Cl)o2)cc1 489796444 ZMHKCAAHLUDYME-UHFFFAOYSA-N 429.929 5.302 30 20 IKED Cc1ccccc1-c1cc(C(=O)Nc2ccc(C#N)cc2Cl)c2cnn(C(C)C)c2n1 494609929 VPSJKRNCUHERFM-UHFFFAOYSA-N 429.911 5.765 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(N(C)c4ccccc4)nc3)n2)cc1 496557010 VXQRNHJDHMSJJU-NRFANRHFSA-N 440.528 5.472 30 20 IKED N#CCc1ccc(NC(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)cc1 499743310 ZDCFISOYSMSGBS-OAQYLSRUSA-N 439.284 5.413 30 20 IKED CCCN(CCc1cccc(F)c1)C(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 499797721 JEDFRAJIZSZHQY-UHFFFAOYSA-N 432.543 5.315 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@](C)(c3ccccc3)C2)cc1C 499896619 DNYAAMZRMUEJDX-MHZLTWQESA-N 426.564 5.275 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl 502365565 LHCYUUGVUVRCOF-DEOSSOPVSA-N 438.934 5.045 30 20 IKED C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 506477627 NYYOBPDPWXWMHI-VOQZNFBZSA-N 430.939 5.101 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(Nc2cccc(C)c2)CC1 509000954 ZYIUWLQECUNRKU-UHFFFAOYSA-N 437.975 5.182 30 20 IKED Cc1cccc(-n2ncc(C(=O)Nc3ccc(C#N)c(Br)c3)c2C(F)(F)F)c1 515461032 BTITUBUQAKYPJT-UHFFFAOYSA-N 449.230 5.086 30 20 IKED C=CCN(C(=O)c1cnn(-c2ccc(F)cc2F)c1C)c1nc(-c2ccccc2)cs1 518168016 UTPGEADYXGMRPT-UHFFFAOYSA-N 436.487 5.415 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H](NC(=O)c3ccccc3)c3ccccc3)cc2)cc1 519978031 UFWFYQCLRUEVDW-AREMUKBSSA-N 447.494 5.460 30 20 IKED CSc1ncc(Cl)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1 520513566 FOTHZUGDPGTCGL-HNNXBMFYSA-N 429.332 5.413 30 20 IKED Cc1c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)nnn1-c1ccc(F)c(Cl)c1 521797730 TXCGTRJFALQRRL-LBPRGKRZSA-N 429.908 5.015 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1cccc(Br)c1)C1CC1 521811996 BNEVDJCJJMGBSY-HNNXBMFYSA-N 444.398 6.040 30 20 IKED COc1ccc(CN(Cc2ccccc2)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 521812323 PEHGOKHDRBWILI-FQEVSTJZSA-N 445.588 6.324 30 20 IKED Cc1nc(-c2ccc([C@@H](C)NC(=O)c3occc3COc3cccc(C#N)c3)cc2)cs1 523947138 YYHOAVUGBGDLMG-MRXNPFEDSA-N 443.528 5.653 30 20 IKED Cc1nn(C(C)C)c(C)c1S(=O)(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 525185808 DIKXCRCAIRLQGJ-UHFFFAOYSA-N 442.972 5.001 30 20 IKED COc1ccc2c(c1)CCCN(C(=O)Nc1ccc(Oc3ccccc3C#N)c(F)c1)C2 525230160 HGKUSYQGZJNMQA-UHFFFAOYSA-N 431.467 5.479 30 20 IKED Cc1cc(NC(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)ccc1C(F)(F)F 525285460 VTJQQSHLYBPENQ-UHFFFAOYSA-N 432.299 5.005 30 20 IKED Cc1ccc(C(=O)C2CCN(CC(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)c(C)c1 532764195 DDASIQASUSTYJK-IBGZPJMESA-N 449.620 5.089 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1ccc(C(F)(F)F)cc1Cl 538194511 MFOXVWJYJUJROW-UHFFFAOYSA-N 431.691 5.814 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1 539635469 YLTJOBWDDDONPV-UHFFFAOYSA-N 443.894 5.454 30 20 IKED C=CCc1cc(C(=O)N(CCC(C)C)c2nnc(C)c3ccccc23)cc(OC)c1OC 540103733 OETFFSWYGRIMQA-UHFFFAOYSA-N 433.552 5.377 30 20 IKED Cc1noc(C)c1C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 542154610 QIWRWZHSBHXWEN-GFCCVEGCSA-N 434.258 5.362 30 20 IKED CC(=O)c1ccc(C#N)cc1N1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 542505929 CUVCOUUQZSQXHN-UHFFFAOYSA-N 428.467 5.107 30 20 IKED N#Cc1ccccc1Oc1ccc(NS(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)cc1 543165669 KLOLRMOARNKBBE-UHFFFAOYSA-N 449.463 5.087 30 20 IKED Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC(C#N)(c3ccccn3)CC2)cc1Cl 548799155 JQUJILTYTCUJNT-DEOSSOPVSA-N 444.966 5.281 30 20 IKED N#Cc1cc(NC(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)ccc1OCC(F)(F)F 548940614 KBOQRVAMDJGZEF-HNNXBMFYSA-N 435.368 5.086 30 20 IKED C=CCn1c(-c2cn(-c3ccccc3)nc2-c2ccccc2)nnc1N1CCC(CC#N)CC1 548953964 DTQVWJIBQCCGLM-UHFFFAOYSA-N 449.562 5.114 30 20 IKED Cc1ccccc1-n1nc(C)c(CN(C)C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1C 554470112 IPCOVEWQTLZHGG-UHFFFAOYSA-N 449.558 5.256 30 20 IKED Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N(C)CCOCc1ccc(C#N)cc1 558308197 YLHGQWLPXDLIDB-UHFFFAOYSA-N 444.318 5.117 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 558345050 QDILTAAKALYVIC-ZLGUVYLKSA-N 425.554 5.265 30 20 IKED COc1ccc(-c2ccc(C)c(NC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)c2)cn1 558846066 KNQSDWBTUGMMTI-UHFFFAOYSA-N 442.519 5.013 30 20 IKED N#CC1(CCCSc2nc3cc(F)ccc3n2CCOc2ccccc2)CCOCC1 561971475 FLMXHHUOVGIKFU-UHFFFAOYSA-N 439.556 5.447 30 20 IKED N#Cc1ccccc1CSCCNC(=O)c1sc2ccccc2c1Br 573251515 PRPGMHSGISLJBE-UHFFFAOYSA-N 431.380 5.199 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CC[C@@H](C(F)(F)F)C4(CCC4)C3)cc2)ccn1 578311562 MTGNBXLTWSNASL-LJQANCHMSA-N 430.430 5.332 30 20 IKED N#Cc1ccccc1COc1cccc(CN2CCCC[C@@H]2c2nnc(C3CCC3)o2)c1 579175347 QJFOUUZGSZEWRY-XMMPIXPASA-N 428.536 5.515 30 20 IKED COCCC[C@@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 581388057 ZTUSTGHAXQOIQR-QHCPKHFHSA-N 437.971 5.221 30 20 IKED C=C(C)COc1cccc(NC(=O)c2cccc(NC(=O)c3ccc4nc[nH]c4c3)c2)c1 589551507 HVTIFQWWHMETKL-UHFFFAOYSA-N 426.476 5.022 30 20 IKED C[C@H](c1nnc(SCc2cn3ccccc3c2C#N)n1-c1ccccc1)N1CCCCC1 591589723 DBPGJYIRVUHRNU-LJQANCHMSA-N 442.592 5.231 30 20 IKED CN(C(=O)c1cccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c1)c1ccccc1 592974801 ZOCLNMJPJWNSHW-IBGZPJMESA-N 429.476 5.202 30 20 IKED CCCOc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1OC 603689576 QCLMLPLIZFBLMI-KRWDZBQOSA-N 446.507 5.426 30 20 IKED Cc1cccc([C@@H](CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)NC(N)=O)c1 603758985 QPDRMUFRWBBHBQ-JTHBVZDNSA-N 446.938 5.042 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(C#N)cc3F)cc2Cl)c1 609254441 RXZFDWWQQGXNRR-UHFFFAOYSA-N 434.858 5.123 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 609376991 MNFAJCGYPBWGFJ-SFHVURJKSA-N 427.529 5.641 30 20 IKED CCn1c([C@H]2CCCN2C(=O)Nc2ccccc2SC[C@H](C)C#N)nc2ccccc21 609398392 YDPADCUBDFQJQV-DYESRHJHSA-N 433.581 5.677 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 609435534 VYXKCOSXCRXFGL-QGZVFWFLSA-N 447.564 5.542 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(NC(=O)c2ccccn2)c1 609436471 MCDHEJNNEJFGIL-QGZVFWFLSA-N 445.548 5.050 30 20 IKED Cc1csc(Sc2ccc(NC(=O)CCCCOc3cccc(C#N)c3)c(C)c2)n1 609503489 WGAAKAQQMOVLAL-UHFFFAOYSA-N 437.590 5.971 30 20 IKED N#Cc1cc2c(nc1N1CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC1)CCC2 609511701 LBWSDEKEJJKPMR-VWLOTQADSA-N 443.595 5.135 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(OCC3CCOCC3)cc2)c1 609908720 SCNCBXJOSFMWEG-UHFFFAOYSA-N 442.515 5.195 30 20 IKED COc1cccc(OCCCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 610018679 XGYJTZCTQGVDET-UHFFFAOYSA-N 445.519 5.045 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)cc2)c1 610632504 HMRXTEHZBLNCFH-CALCHBBNSA-N 443.347 5.555 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1cccc(N2CCCC2)c1 610673903 XCEKIRCOIPBXQB-GOSISDBHSA-N 427.508 5.228 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](Oc4ccccc4Cl)C3)cn2)cc1 611041654 MEDIWFZBFXSZOV-IBGZPJMESA-N 434.883 5.084 30 20 IKED N#C[C@@H](C(=O)c1csc(Cc2ccccc2)n1)c1nc(-c2ccc(Cl)cc2)cs1 613319440 DVEKQOUXZKNIAL-KRWDZBQOSA-N 435.961 6.001 30 20 IKED C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1cccc(NC(=O)Cc2ccccc2F)c1 614179115 CSTOMSSLAHKAAN-LJQANCHMSA-N 429.539 5.659 30 20 IKED C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 642281172 LGSNPECKDBNZLX-VMDGZTHMSA-N 435.936 5.548 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)C2CC2)nnc1-c1ccc(Cl)cc1 644100464 DPIBKHKFNISMCJ-NRFANRHFSA-N 438.984 5.144 30 20 IKED C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 670232915 INZVEWIYONLBLY-UHFFFAOYSA-N 449.643 5.048 30 20 IKED O=C(Nc1ccc(F)cc1OC1CCCC1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 676275768 ZBYYDHLGHSBESI-TXEJJXNPSA-N 442.375 5.742 30 20 IKED Cc1ccc(CN(CCc2ccccc2)C(=S)Nc2ccc(C#N)c(Cl)c2)s1 726447598 DPVCWPIQYYCAPT-UHFFFAOYSA-N 426.010 6.023 30 20 IKED C/C(=C\C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1Cl 727628335 VBAWWWHGYQGHMS-UQCBTIDJSA-N 430.891 5.883 30 20 IKED COc1ccc(/C=C\C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)c(OC)c1OC 727655252 UNLWMSQHXJKPTJ-XFFZJAGNSA-N 429.925 5.694 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccn3Cc3ccncc3)cc2Cl)c1 728029588 ZFDMUAABUNUFOW-UHFFFAOYSA-N 442.906 5.288 30 20 IKED Cc1cc(C(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)c(C)n1-c1ccc(C#N)cc1 728265167 FAFSAUVJXAGQQI-HNNXBMFYSA-N 433.462 5.202 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3csc(-c4ccc(O)cc4)n3)cc2F)c1 728606415 HYMFTEMDJSQKEU-UHFFFAOYSA-N 445.475 5.358 30 20 IKED FC(F)Oc1cccc(Cl)c1C=Nn1c(S)nnc1Cc1cccc2ccccc12 732924390 YHDZCLCFEJFMTA-UHFFFAOYSA-N 444.894 5.448 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)ccc1OC 733230719 RLAVDFZBVKXUGW-KBAYOESNSA-N 433.335 5.103 30 20 IKED N#CC(CCOC(=O)Cc1coc(-c2ccc(F)cc2)n1)(c1ccccc1)c1ccccc1 733602633 ZSEDYWBJFIGMDT-UHFFFAOYSA-N 440.474 5.466 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(Oc2ccccc2)nc1 733679010 RSDTVTIWBVLFDX-QFIPXVFZSA-N 449.466 5.627 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1 733772809 HJAZQDXCMVKHFD-CYBMUJFWSA-N 427.715 5.023 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)c1 733797730 FSOJBHHJYYVKSX-RDGATRHJSA-N 447.966 5.799 30 20 IKED Cc1cc(Br)ccc1NC(=O)CSCc1cc(Cl)ccc1OCC#N 735318797 QKTZDSGHDDEHRF-UHFFFAOYSA-N 439.762 5.185 30 20 IKED Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)Cc3ccc(OCC#N)cc3)cc2)c1 737638316 WYUJBIJAJDVRQL-UHFFFAOYSA-N 428.532 5.781 30 20 IKED C=CCn1c(-c2ccco2)nn(CN2CCSC[C@@H]2c2ccc(Cl)cc2)c1=S 738253115 DTBVDLDPPPMRSN-QGZVFWFLSA-N 433.002 5.261 30 20 IKED Cc1ccc(CN(Cc2ccco2)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)s1 740059136 GXKGRBKWDJIJOS-UHFFFAOYSA-N 447.585 6.162 30 20 IKED COc1ccc(SCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC 741110875 AZBXNXPNURHBMH-GOSISDBHSA-N 438.574 5.494 30 20 IKED O=C(/C=C/c1sc2ccccc2c1Cl)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741843234 OMFRFIAVWXAXSP-MDZDMXLPSA-N 444.883 5.787 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccsc2NC(=O)c2ccco2)cc1F 742961007 IOZFMNIARQGOQA-UHFFFAOYSA-N 447.447 5.649 30 20 IKED O=C1/C(=C/c2ccc(Oc3cnccn3)cc2)CSc2ccc(Br)cc21 743056693 JRXYTGPGXFMWKN-NTEUORMPSA-N 425.307 5.403 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1c[nH]cc1-c1ccc(F)cc1 745268636 OEYPXWXGNNCZSY-HNNXBMFYSA-N 437.496 5.011 30 20 IKED C[C@H](OC[C@@H]1CCCCO1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 746416967 SOOLEPVVGLQVFW-NOLJZWGESA-N 439.364 5.267 30 20 IKED COc1ccc(-c2csc3ncnc(NN=C(C)c4c(C)nn(C(C)C)c4C)c23)cc1 746488680 KLOXIZBNOMCEMA-UHFFFAOYSA-N 434.569 5.597 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 748995071 NSLSOEHZRADWNL-UHFFFAOYSA-N 433.577 5.540 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(Oc2cccc(Cl)c2)cc1 750393164 YMMYHLLOBZOZQP-GOSISDBHSA-N 425.271 5.747 30 20 IKED Cn1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1-c1ccc(F)cc1 750398350 GQYAFJAQVKKMRS-LJQANCHMSA-N 426.476 5.316 30 20 IKED Cc1oc(-c2ccco2)nc1CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 750405028 XJPSUSSBXIFNFZ-GFCCVEGCSA-N 425.416 5.064 30 20 IKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)CC1CCC(c2ccccc2)CC1 759235962 GGMAXHNILYAEBI-DQVLVPHSSA-N 434.536 5.064 30 20 IKED N#C[C@@H](C(=O)Cn1c(C2CCCCC2)nc2ccccc21)c1nc2ccccc2n1C(F)F 762033580 CNKVMQOAJUSNNM-KRWDZBQOSA-N 447.489 5.705 30 20 IKED N#Cc1ccccc1COc1cccc(/C=C/C(=O)c2cc(Br)ncc2F)c1 762426204 OEXALKXICYDIJH-CMDGGOBGSA-N 437.268 5.330 30 20 IKED Cc1cc[n+](/C(C(=S)Nc2ccc(Cl)c(Cl)c2)=C(/O)c2ccc(C#N)cc2)cc1 762439153 OOKTWNVHWVLIMS-UHFFFAOYSA-O 441.363 5.784 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)cc2Cl)c1 763451247 XLHYKGYSGTXBSP-UHFFFAOYSA-N 443.793 5.229 30 20 IKED C=CCn1c(-c2ccccc2C)nn(CNC2(c3nc(C)cs3)CCCC2)c1=S 764120973 KOZBFKDQYUIMNG-UHFFFAOYSA-N 425.627 5.357 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cc3c(s2)CCC3)cs1 764432115 JTQYPHSGFNGETG-JXMROGBWSA-N 428.966 5.927 30 20 IKED Cc1sc2ncn(N=Cc3ccc(C(=O)OC(C)(C)C)cc3)c(=O)c2c1-c1ccccc1 764893968 BOWUYWOCRARRFF-UHFFFAOYSA-N 445.544 5.271 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC(c3ccc(F)c(F)c3)CC2)c1=S 764976156 NNMXAOMSGDQESO-UHFFFAOYSA-N 441.551 5.167 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(Br)cc1 766627310 KXUMOUBFIWCUJY-BXUZGUMPSA-N 447.304 5.831 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(Br)c(C(F)(F)F)c1 768763472 OHLWWEGMVAGKIP-SNVBAGLBSA-N 445.622 5.082 30 20 IKED C[C@@H]1CCCN(c2ccc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)cc2[N+](=O)[O-])C1 770123258 BBGZOSLLNVXSPT-CZUORRHYSA-N 438.484 5.070 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2cc3cc(Br)ccc3o2)ccc1OC 776164711 JRZTUCFMMNCCSV-KDOFPFPSSA-N 443.341 5.736 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)c(C(F)(F)F)c1 777648026 KHJZFQCKYSGRNR-UHFFFAOYSA-N 439.821 5.830 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)O[C@H]([C@H]2CCOC2)C(F)(F)F)c1 778043809 XBCNDSUIAGKZNF-SCLBCKFNSA-N 425.790 5.128 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 781033944 FFYKKNNWMZFZFT-GOSISDBHSA-N 446.506 6.476 30 20 IKED CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 784429202 SPALPPOFMVGLHT-XNMGPUDCSA-N 427.548 5.537 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 784531965 UMGVDMDACYQTPU-GOSISDBHSA-N 440.421 5.379 30 20 IKED CC[C@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(CSc2nc(C)cs2)cc1)c1ccccc1 787041607 PMWXZRGBTYLZFF-SFTDATJTSA-N 449.601 5.334 30 20 IKED CC[C@@H](NC(=O)[C@H](C#N)C(=O)c1ccc(COc2ccc(C)cc2C)o1)c1ccccc1 787044588 GNTOTDKFKBVSJQ-FGZHOGPDSA-N 430.504 5.065 30 20 IKED C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)Nc1cccc(C#Cc2cccs2)c1 788558685 AMZIJAROLLCPIJ-GOSISDBHSA-N 445.544 5.329 30 20 IKED COc1cc(/C=C\C(=O)c2ccnc(O)c2)ccc1OCc1cccc(C(F)(F)F)c1 791434663 ZHWHOZYMSKJRMF-ALCCZGGFSA-N 429.394 5.290 30 20 IKED COc1ccccc1-c1ncc(/C=C2/CCOc3c(ccc(Cl)c3Cl)C2=O)cn1 792882826 APBCVTJALHDEJS-UVTDQMKNSA-N 427.287 5.508 30 20 IKED CC(C)c1nn(Cc2ccccc2)c(Cl)c1/C=C\C(=O)c1ccc(C(=O)N(C)C)cc1 792924689 FQZRQIOHRLKODK-PFONDFGASA-N 435.955 5.306 30 20 IKED Cc1cc(-c2csc(=Nc3ccccc3C#N)n2Cc2nccc(C(F)F)n2)c(C)[nH]1 804888732 ZUJBRUYAGSRWLX-UHFFFAOYSA-N 436.491 5.042 30 20 IKED Cc1nnc(SCc2c(C(=O)OC[C@H]3CC[C@@H](C#N)CC3)oc3ccccc23)s1 809085686 JGRWYIAAFXKISF-GASCZTMLSA-N 427.551 5.372 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc(OC(F)F)cc2)cc1Cl 916057612 USZUAARCNGPKMT-HXUWFJFHSA-N 426.850 5.778 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 916681797 YXKRCKHSVQTBHF-VWLOTQADSA-N 437.499 5.875 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc2c(s1)CCCCC2 916907262 XKHMTQJTXQXGIB-LJQANCHMSA-N 430.529 5.770 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)cc1 916955413 QRJIZWPGXLMASY-LAUBAEHRSA-N 445.567 5.610 30 20 IKED Cc1ccc(C(C)C)c(OCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 917044612 UBEXWEAUAUUDSC-INIZCTEOSA-N 432.467 6.002 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)c(C)n1-c1ccccc1Br 917510078 LEFFJGRSLMSJDI-MRXNPFEDSA-N 434.293 5.488 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)[C@@H](C#N)c1nc2ccccc2o1 917510213 XENVLMSUDWNTAG-MRXNPFEDSA-N 439.302 5.356 30 20 IKED COc1ccc2oc(C)c(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c2c1 917803670 JJZMJZRCFZXYRL-UHFFFAOYSA-N 426.472 5.647 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl 920101468 AVWRLGHVFGNQPO-FSNWXROXSA-N 430.813 5.754 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1sc2cccc(Cl)c2c1Cl 920106184 UDBBXSSZVGUFKJ-LBPRGKRZSA-N 427.312 6.203 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3cc(C)ccc3C(C)C)n2)cc1 920138261 BWDHCKDOTYOZNI-UWJYYQICSA-N 434.561 5.894 30 20 IKED Cc1ccc(-c2nnc([C@H](C)OC(=O)c3cccc(OCc4ccccc4C#N)c3)o2)cc1 920636394 XQOXHSUOKGLQOW-SFHVURJKSA-N 439.471 5.414 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(N3CCCCC3)cc2)cc1C 920848785 XCKLEDYBCZRTSP-UHFFFAOYSA-N 427.552 5.323 30 20 IKED CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 921112294 AAOJHVICQNFXAA-DHIUTWEWSA-N 448.567 5.253 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(NC(C)=O)c3)CCC2)cc1 1786104307 LIHZQZUWAJHWQZ-UHFFFAOYSA-N 445.563 5.161 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)C3CCC(C(F)(F)F)CC3)cc2)CCC1 1786591903 TXVSGJKTIKDUSW-UHFFFAOYSA-N 434.502 5.293 30 20 IKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)cn1 1787298747 UBXRQEJGYPJDCQ-UHFFFAOYSA-N 447.655 5.189 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccc(OC)cc3)cc2)CCC1 1788379187 CNPGYJJACVNVTF-UHFFFAOYSA-N 441.531 5.081 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@]3(F)CCCCC3(F)F)cc2)CCC1)C(F)(F)F 1789167148 VYSKHZODAOULJB-LJQANCHMSA-N 448.407 5.157 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CS[C@@H]3CCCCO3)CCC2)cc1 1789453585 BGHXKMTVCCRGCZ-JTHBVZDNSA-N 442.625 5.149 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3nc4ccccc4o3)CCC2)cc1 1789458369 YAUDJSVAFNVXEB-FQEVSTJZSA-N 429.520 5.344 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)n(C(F)F)n3)cc2)CCC1 1790132996 PSDOINNXGNURTI-LJQANCHMSA-N 442.510 5.103 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4c(Cl)cccc34)CCC2)cc1 1791253349 CMRDDPTXJBHUIQ-HNNXBMFYSA-N 436.943 5.176 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc4sc(C)cc4[nH]3)CC2)C1 1805458730 VYFBKQVLFHEZCQ-UHFFFAOYSA-N 439.625 5.151 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccoc3s2)n[nH]1 1817825372 GRUVKCQTBQJPRN-AEFFLSMTSA-N 438.553 5.292 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2oc3ccccc3c2C)[nH]n1 1819305260 FWBGVQGRMNXFPB-WIYYLYMNSA-N 446.551 5.539 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)[nH]n1 1821920736 KJHPZLDJIILOLC-OKSRHDDTSA-N 432.524 5.074 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1 1824872643 KWTLMJUKHTVQTG-VQTJNVASSA-N 428.539 5.107 30 20 IKED CC(C)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1831381334 UHMJBMGYMOWNFU-HSZRJFAPSA-N 432.725 5.093 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)ccc1C)=C(/S)Nc1ccc(F)cc1F 11249229 VPZHGWRIKFPMQN-UHFFFAOYSA-O 425.524 5.482 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(\S)Nc2cccc(Cl)c2C)c1 11258048 UWJDZEQBUULGIY-UHFFFAOYSA-O 426.993 5.251 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)=C(/S)Nc1c(C)cccc1C 22694046 LIMQGXROLMUVCU-UHFFFAOYSA-O 448.568 5.421 30 20 IKED Cc1ccc(C)c(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(N(C)C)cc2)c1 22729781 KDUOUGNSNUOYJL-UHFFFAOYSA-O 446.640 5.831 30 20 IKED Cc1c(C#N)c(S[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nc2c1CCC2 32328291 ARTHYTKHBSTRJD-LJQANCHMSA-N 433.499 5.525 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccnc1Sc1ccccc1 46668018 IXPPEHXXEHYZNP-UHFFFAOYSA-N 438.512 5.853 30 20 IKED Cc1ccc(N(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)c2nc3ccccc3s2)c(C)c1 64341753 OETABJRCAXDGCD-GOSISDBHSA-N 427.529 5.917 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(COCCc2ccccc2)c1 65478523 BACPNZOCQOWPQN-UHFFFAOYSA-N 427.548 5.762 30 20 IKED Cc1cccc(-c2nc(C/C(O)=N/S(=O)(=O)c3ccc(C(F)(F)F)cc3)cs2)c1 97465457 VUXWXNCDOZBGBY-UHFFFAOYSA-N 440.468 5.025 30 20 IKED O=C(Nc1ccc(F)cc1F)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 101400740 IWKBJNPPADJZCC-UHFFFAOYSA-N 435.274 5.440 30 20 IKED N#Cc1ccccc1COc1cccc(CNCc2ccc(NC(=O)c3cccnc3)cc2)c1 238111671 UTWVWOVRZQLXQG-UHFFFAOYSA-N 448.526 5.074 30 20 IKED COc1ccc(OC)c([C@H]2C[C@H]2C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1 409544105 PSYUVYYMLMAMLN-ISKFKSNPSA-N 444.506 5.360 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3NC(=O)C[C@@H]3C=CCC3)o2)cc1 409982963 YGYFBWGGEQLFCM-GOSISDBHSA-N 441.487 5.277 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(CN3CCCC3)ccc2C)cc1C 431105842 CFOSEPHEIRIVJW-UHFFFAOYSA-N 441.579 5.237 30 20 IKED C=CCC[C@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 441850113 ZSDVOEBSROQDMM-INIZCTEOSA-N 438.402 5.068 30 20 IKED N#C[C@H](C(=O)c1cccc(Sc2cccc(Br)c2)n1)c1nc2ccccc2[nH]1 442616965 NEWBBXMVDRDQTI-OAHLLOKOSA-N 449.333 5.362 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CC(C)(C)CCc2ccccc21 443135272 VTEJSDUZIXAUHL-UTKZUKDTSA-N 435.593 5.239 30 20 IKED CCOC(=O)c1sc([C@H](C)NCCC(C#N)(c2ccccc2)c2ccccc2)nc1C 444684949 OTRUQLDAZJBSNG-IBGZPJMESA-N 433.577 5.179 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 446436381 QDUNJKIXACEVNB-XMMPIXPASA-N 445.950 5.188 30 20 IKED Cc1ccccc1[C@H]1CN(C(=O)c2cccc(COc3ccccc3C#N)c2)[C@H](C)CO1 460389927 RJJMIHXFJWGPEN-FQRUVTKNSA-N 426.516 5.048 30 20 IKED C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 460962715 LZBSEIZRAANPRV-LJQANCHMSA-N 434.506 5.035 30 20 IKED Cc1ccc([C@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)cc1 461670037 YVKKVELKOUMLBK-BJKOFHAPSA-N 427.552 5.036 30 20 IKED N#Cc1ccc(NCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)cc1C(F)(F)F 462182143 NRGVXRJFQFYXTG-QGZVFWFLSA-N 444.438 5.021 30 20 IKED Cc1nc(C(F)(F)F)sc1C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 462603463 AJXPXPFVCISTSN-SNVBAGLBSA-N 434.308 5.105 30 20 IKED COc1cccc([C@H](Cc2cc(C)cc(C)c2)N[C@@H](C)C(=O)Nc2ccccc2C#N)c1 463922228 QGKBMORVYKIWBZ-FNZWTVRRSA-N 427.548 5.084 30 20 IKED N#C[C@@H](C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1cc(C(F)(F)F)ccn1 464428176 RRIAUALLAIQETB-MRXNPFEDSA-N 426.354 5.242 30 20 IKED COc1ccc([C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)c2ccccc2Cl)c(C)c1 466390293 TUISDYREBCUYLX-XMMPIXPASA-N 433.939 5.460 30 20 IKED CC(C)(C)c1nnc(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)s1 467328448 WVOFTHQQXVXSSE-UHFFFAOYSA-N 426.929 5.083 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N2CCC(F)(c3cccc(Cl)c3)CC2)c1C#N 467873973 DROSRILJZASBGV-UHFFFAOYSA-N 429.948 5.307 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470547335 QZVHDKVZUHNZQX-UHFFFAOYSA-N 442.972 5.205 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N(c2ccccc2)C2Cc3ccccc3C2)o1 470770305 AOEXYELDGBDHLH-UHFFFAOYSA-N 434.495 5.544 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1 471332685 QQBAWRXDIKQDFP-OAQYLSRUSA-N 445.485 5.371 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1noc(-c2ccccc2)n1 473791700 ZFVZHHUZHCQFCT-INIZCTEOSA-N 425.448 5.283 30 20 IKED CCOc1cc(Br)c(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1OCC 475121140 SDPUNXLMSYZXTN-UHFFFAOYSA-N 431.330 5.300 30 20 IKED C=C(C)[C@@H](NC(=O)CSc1nnc(-c2cccc(C)c2)n1CC)c1ccc(F)c(F)c1 475680754 JYDFSFGISZIFQY-OAQYLSRUSA-N 442.535 5.077 30 20 IKED CCCN(CC)c1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cn1 478551527 YZLLHEBTXQGYJW-HNNXBMFYSA-N 426.492 5.210 30 20 IKED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1ccc(Sc2ccc(Cl)cc2)o1 478600915 ZZNAFICFFJCJGY-UHFFFAOYSA-N 435.896 5.097 30 20 IKED O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N(CCC(F)(F)F)Cc1ccccc1 479694790 UKBRUFPVJKMHKV-UHFFFAOYSA-N 428.376 5.221 30 20 IKED CS(=O)(=O)c1cccc([C@H](N[C@H]2CCCCc3cc(C#N)ccc32)c2ccc(F)cc2)c1 481678436 PXGPRDPMLQVPBX-IZZNHLLZSA-N 448.563 5.248 30 20 IKED N#C[C@@H](C(=O)c1ccc(COc2ccc(Br)cc2)o1)c1cnc2ccccc2n1 483206270 UFYAECPQVUUELF-QGZVFWFLSA-N 448.276 5.054 30 20 IKED CCCCN(C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)[C@@H](C)c1ccccc1 486758094 JPXPFCYFZLYABL-IBGZPJMESA-N 442.519 5.074 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 487296501 YVRKHLKTBSVCBY-UHFFFAOYSA-N 444.585 5.527 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(C(=O)OC)c1Br 495050832 UIKSLIOWESEPBK-UHFFFAOYSA-N 443.750 5.171 30 20 IKED CSc1nc(-c2ccco2)nc(C)c1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 505344547 PPCNATVOHLTRJY-ZDUSSCGKSA-N 433.320 5.068 30 20 IKED N#CCCCOc1cccc(NC(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1 506917536 MIYWDYVUZYVYNC-QGZVFWFLSA-N 445.363 5.813 30 20 IKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)c2C#N)C1 508880117 KYLIIVRTYCIQLR-SPILARAMSA-N 426.626 5.431 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)nc2ccccc21 513652433 AFDGEVQMJUPEGG-SFHVURJKSA-N 428.473 5.123 30 20 IKED COc1cc(Cl)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 513853154 SPQVFGSQOFYWIV-SFHVURJKSA-N 441.314 5.918 30 20 IKED COc1ccc([C@@H](CNC(=O)N(C)Cc2cccc(C#N)c2)c2c[nH]c3ccccc23)cc1 514437303 WWCHMJIVOLFJMI-XMMPIXPASA-N 438.531 5.022 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CCc2ccc(OC(F)F)cc2)cc1 515505975 AZKZFPLZXKTQQI-UHFFFAOYSA-N 436.458 5.504 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ncc(Cc4cccc(Cl)c4)s3)cc2)nc1 518370134 GCOLEHLEIBQYEO-UHFFFAOYSA-N 446.919 5.699 30 20 IKED Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)[nH]c2c1 519198936 DKNHSRBETRQBTF-XMMPIXPASA-N 437.503 5.904 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 519436435 OWYUMYCWTBLFEB-CABCVRRESA-N 449.498 5.115 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1c1cccc(Br)c1 519450377 CTZPVKFLOMVBLT-DNVCBOLYSA-N 444.398 6.070 30 20 IKED Cc1ccc(C2(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CCOCC2)cc1 520329035 XGVLXZADJJWSGF-UHFFFAOYSA-N 444.506 5.272 30 20 IKED CC(C)Cc1ccc(C(=O)C2CCN(C(=O)CCCCOc3cccc(C#N)c3)CC2)cc1 521107772 GIDAPBNBQVVLOC-UHFFFAOYSA-N 446.591 5.427 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 521810811 FRTAFEDXFVKRBH-CVDCTZTESA-N 427.573 6.260 30 20 IKED CCCCNC(=O)c1ccc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 521811922 YZFLIDYVKOBEPA-UHFFFAOYSA-N 442.519 5.202 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 521840796 LJZLMLNMNHUOEH-UHFFFAOYSA-N 438.531 6.221 30 20 IKED O=C(NCc1ccc(Oc2cccnc2)c(F)c1)Nc1cccc(C#Cc2ccccn2)c1 522073356 GATSBZHHFCBOQR-UHFFFAOYSA-N 438.462 5.130 30 20 IKED Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 524131340 OBZDFZXBHXIKCA-APWZRJJASA-N 449.605 5.420 30 20 IKED CC[C@H](c1ccccc1)c1nnc(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)o1 524311933 QRIJWKWAPJGWIG-WTWLLKEWSA-N 426.586 5.023 30 20 IKED COc1ccc2[nH]cc(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)c2c1 524405810 JWWFRBIJHKOAQU-UHFFFAOYSA-N 425.488 5.117 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1 525472986 VOEOBMYELZGJDI-UHFFFAOYSA-N 426.520 5.563 30 20 IKED Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)Nc1ccccc1S[C@H](C)CC#N 533767729 NBPDXXDQHCWETB-IEBWSBKVSA-N 433.581 5.436 30 20 IKED CC(C)Cn1ncc(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1C(F)F 534805050 HNZFFVLZZQJQQU-UHFFFAOYSA-N 430.484 5.040 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc3c2CN(c2ccccn2)C3)c1 535289263 OTOWITRONXUMNX-UHFFFAOYSA-N 446.510 5.305 30 20 IKED COc1ccc([C@H](OC)[C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 536810183 HMZIJLKZMQPHMQ-AVRWGWEMSA-N 446.572 5.365 30 20 IKED Cc1cc(C)cc(-n2nc(-c3ccco3)cc2NC(=O)N(CCC#N)Cc2ccccn2)c1 539254452 DPOOSJNLWIHRPX-UHFFFAOYSA-N 440.507 5.092 30 20 IKED CCCNC(=O)c1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1Cl 540854213 MYRSORGXHCYXHR-UHFFFAOYSA-N 433.895 5.396 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CCO[C@H](c4ccc(F)cc4)C3)cc2)c1 541736543 VGMQZXPOSKORGW-QPPBQGQZSA-N 431.467 5.531 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1 543292269 DYHQCUJKBADACP-UHFFFAOYSA-N 436.515 5.400 30 20 IKED C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)N1CCC(C#N)(c2ccccn2)CC1 548865688 ZQNPHVMUOPEDEA-HXUWFJFHSA-N 442.588 5.117 30 20 IKED C=CCn1c(S[C@@H](C(=O)N(C)C2CCCCC2)C(C)C)nnc1-c1ccc(OC)cc1 554218476 HYVDNPWDHKFRIV-OAQYLSRUSA-N 442.629 5.048 30 20 IKED CCOc1ccc(-c2nc(CC(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cs2)cc1 563830005 RLBOHAWDPPAFJD-SFHVURJKSA-N 446.359 5.439 30 20 IKED N#CCCn1cc(/C=C(\CC(=O)O)c2nc3cc(Cl)ccc3s2)c(-c2ccncc2)n1 565870376 MVQRRSMRYMJNKQ-XNTDXEJSSA-N 449.923 5.137 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(Br)c(Cl)c1 567986498 UPCXSNQUPKVQBX-GFCCVEGCSA-N 439.762 5.514 30 20 IKED C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1 573341935 ZTMINKONBZSBLA-UHFFFAOYSA-N 434.931 5.095 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N3CCCC[C@@H]3c3nnc(C4CCC4)o3)c2)cc1 580264602 GMSPUPLQWGVELE-JOCHJYFZSA-N 427.508 5.320 30 20 IKED Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 581340049 BPYZUDKAHCCYFD-NBGIEHNGSA-N 442.519 5.343 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)CCN(C)[C@@H](C)c3nc4ccccc4s3)c2C#N)C1 581386792 NRYWJAIPBDPXCL-GJZGRUSLSA-N 438.622 5.376 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)CC2)c(C)c1 590269189 JDTHNFLBHIOREP-UHFFFAOYSA-N 442.515 5.082 30 20 IKED O=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)Nc1ccc(F)cc1C(F)(F)F 590336912 LDLQCZMBEGBIRM-UHFFFAOYSA-N 446.326 5.371 30 20 IKED O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccc(C(F)(F)C(F)(F)F)cc1 591780527 DTKXRXIMKZUEKB-UHFFFAOYSA-N 446.322 5.845 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cnn1-c1cccc(C(F)(F)F)c1 592974488 SGFRNRSBARZBNN-OAHLLOKOSA-N 444.413 5.438 30 20 IKED C[C@H](Oc1ccc(F)cc1Cl)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 603054438 XLTNCXWYHKSWQE-GUBZILKMSA-N 435.767 5.272 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)cn2)c1 603623339 HWIVVGMIWNEJDH-UHFFFAOYSA-N 444.878 5.625 30 20 IKED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(SCc3ccccc3)cc2)CC1 603836021 CPRBFFSMLLVZED-RUZDIDTESA-N 445.563 5.141 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CCN(c4ccc(F)cc4)C3)cc2)cc1 604460615 IVTPDOKKKSHALE-IBGZPJMESA-N 430.483 5.138 30 20 IKED C=CCN(CCc1ccccc1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 607811427 BTGKWQQWPBUWTG-UHFFFAOYSA-N 428.319 5.447 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnc2c(cnn2CC(C)C)c1 609060387 CJJXFFDFRLUBJJ-UHFFFAOYSA-N 439.519 5.099 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(NC(=O)C2CC2)cc1 609061650 GJMLNYNGJIPOLG-UHFFFAOYSA-N 425.488 5.047 30 20 IKED Cc1ccc([C@@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)N(C)C)cc1 609078575 APPADKWPLBADPT-AREMUKBSSA-N 442.563 5.179 30 20 IKED Cc1ccn2cc(CNC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)nc2c1 609080170 VLRXLZURCNZKSH-UHFFFAOYSA-N 445.910 5.069 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1OC 609110522 MATNQDOJYRQDHA-UHFFFAOYSA-N 432.451 5.102 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccc(O)cc3)Cc3ccco3)cn2)cc1 609206014 NTBLNLSOCDZXPH-UHFFFAOYSA-N 440.459 5.278 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 609387080 JUHTZMNCWGGKEI-INIZCTEOSA-N 449.542 6.582 30 20 IKED C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 609387726 JATOUITVLVYWLU-RBSFLKMASA-N 436.408 5.923 30 20 IKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609433954 RXFMKDZENRSJKV-BKMJKUGQSA-N 441.531 5.982 30 20 IKED COc1cc2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)[nH]c2cc1OC 609820315 QBFJUNNIUZLLRJ-IBGZPJMESA-N 445.906 5.746 30 20 IKED CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 609826565 HTBJVUGHWVKRBT-GBXCKJPGSA-N 435.568 5.294 30 20 IKED N#Cc1ccc(SCc2nc(O)c3c(-c4ccccc4Cl)csc3n2)c(F)c1 610218825 ZQTVXNBMLFKPKG-UHFFFAOYSA-N 427.913 6.020 30 20 IKED N#CCC[C@@H](NC(=O)N1CCc2[nH]c3c(Br)cccc3c2C1)c1ccccc1 610972622 HTFOWACEAGMETE-LJQANCHMSA-N 437.341 5.043 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(OCc2ccccc2F)CC1 611261358 LXOFQUOZJNDBBN-KRWDZBQOSA-N 427.545 5.291 30 20 IKED O=C(COc1ccc(C(F)(F)F)cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 611829156 KKPOYLRXFOXWJQ-GHMZBOCLSA-N 437.302 5.110 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC[C@H]1Cc1cccc(F)c1 615683210 ROLKXQDNFNHBII-CPUCHLNUSA-N 440.403 5.452 30 20 IKED COc1cc(Br)ccc1[C@@H](C)NC(=O)c1c(Cl)cc(C#N)cc1Cl 615894721 QKNPRFLHCRLCOX-SECBINFHSA-N 428.113 5.127 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)n1CC(F)(F)F 619756531 UTWPNZYLPPYAOV-KRWDZBQOSA-N 428.439 5.153 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(OCc2ccc(F)cc2)CC1 678189402 VDUKXDHINPNSAG-UHFFFAOYSA-N 437.433 5.231 30 20 IKED COc1ccc2cc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c(C)nc2c1 678322391 APFYCTNHGMFXBX-MRXNPFEDSA-N 441.434 5.670 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)cc1 726696530 QLSRWQNKNKFJMZ-ZRBLBEILSA-N 446.348 5.782 30 20 IKED COc1ccccc1CC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 726696865 XMHBDUKNAXPTHV-SANMLTNESA-N 439.559 5.837 30 20 IKED Cc1oc(-c2cccs2)nc1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 727751868 VRYPDAIXUMWPCA-HXUWFJFHSA-N 429.501 5.285 30 20 IKED CCOc1ccc(OCC)c(NC(=S)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 729160382 NZGICLWROUHGDE-UHFFFAOYSA-N 433.533 5.957 30 20 IKED C[C@@H](NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1csc2ccccc12 729977746 RQOZGCDEGXNZGS-OAHLLOKOSA-N 445.504 5.078 30 20 IKED CCc1nc([C@H]2NC(=O)N(Cc3ccccc3)C(c3ccc(C)cc3)=C2C(C)=O)cs1 731419877 BXIXOTQBXWSHJP-HSZRJFAPSA-N 431.561 5.281 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C)OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 732398599 AFWZOVVNGFTGJC-QGZVFWFLSA-N 443.503 5.054 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)OC(=O)CCC(=O)N(CCC#N)c1ccccc1 733699823 GHLKHDBIOOLWJI-LJQANCHMSA-N 447.560 5.450 30 20 IKED C=CC[C@H](NC(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C)c1ccncc1 734361018 QUTXBBZUTZWJQV-FQEVSTJZSA-N 431.565 5.491 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@H]1c1c(F)cccc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1 734964914 FSYLMGLEUUUJBC-HZSPNIEDSA-N 449.309 6.375 30 20 IKED CC(C)(CCC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)NC(=O)OC(C)(C)C 739161876 USKSHTADDKXOJI-ZDUSSCGKSA-N 449.523 5.348 30 20 IKED CSc1nc(-c2ccco2)nc(C)c1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739598199 FJVMLAGPJGERQR-UHFFFAOYSA-N 446.557 5.297 30 20 IKED Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(F)c1 741819870 NVRJZEGXIUPGMS-QGZVFWFLSA-N 448.519 5.482 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=S)N[C@H]1CCc2ccccc2C1 742994079 QJNJUHRAZHQKOH-IBGZPJMESA-N 433.390 5.008 30 20 IKED CC(=NNc1nc2cc(C(F)(F)F)ccc2s1)c1ccc(S(=O)(=O)C(F)F)cc1 743445504 XYWWVRBTKFKXFN-UHFFFAOYSA-N 449.426 5.148 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Nc2cccc(NC(=O)c3cccs3)c2)cc1 743466845 URUONFLXISYBMZ-GOSISDBHSA-N 432.549 5.056 30 20 IKED N#C[C@H](C(=O)CCNc1ncc(C(F)(F)F)cc1Cl)c1nc2cc(F)ccc2s1 744118585 JHQLXLYMHMAETC-LLVKDONJSA-N 442.825 5.181 30 20 IKED CCCCc1oc2ccccc2c1/C=C\C(=O)OCc1nnc(-c2cccc(C#N)c2)o1 744510064 BSDZYVPAMVRVQM-SEYXRHQNSA-N 427.460 5.454 30 20 IKED Cc1c(Cl)cccc1-n1ccnc1SCC(=O)[C@H](C#N)c1nc(C(C)C)cs1 747192856 BOGJBQKFWGZCBK-AWEZNQCLSA-N 430.986 5.383 30 20 IKED CCCOc1c(Cl)cc(C=NO[C@H](C)C(=O)Nc2c(C)cccc2C)cc1OCC 749524779 ZLDCBYWFWPTMLC-QGZVFWFLSA-N 432.948 5.522 30 20 IKED Cc1ccnc2[nH]c([C@H](C#N)C(=O)CCN3c4ccccc4Sc4ccccc43)nc12 750724777 PDSOPFMAICWSJS-MRXNPFEDSA-N 425.517 5.136 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1C#N 752222226 QOCPAVTVHPYGAI-UHFFFAOYSA-N 443.463 5.023 30 20 IKED C=CCn1c(-c2cccs2)nn(CN(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1=S 758263538 RCTMDTQYDRNNMB-MOPGFXCFSA-N 444.601 5.277 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2sc(-c3ccccc3)nc2C(F)F)cc1C#N 761514426 ZDJOJWGKJBUHON-UHFFFAOYSA-N 442.447 5.440 30 20 IKED C#CCOc1ccccc1-c1noc(-c2ccc(Cl)c(NC(=O)c3cccs3)c2)n1 761997030 WMKRDGRCKGWYAS-UHFFFAOYSA-N 435.892 5.383 30 20 IKED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)/C=C/c1cc(C)n(C2CCCCC2)c1C 763768566 YQFPXAPIXRHVAW-ZRDIBKRKSA-N 428.540 5.023 30 20 IKED COC(=O)c1sc2ncc(C(=O)/C=C\c3cc(OC)c(OC)cc3SC)cc2c1C 770571819 YFVYXDTWYHVDHY-SREVYHEPSA-N 443.546 5.027 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c1 772619200 HYEYAMROGPFJDC-KBXCAEBGSA-N 443.828 5.263 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)ccc1NC(=O)OC(C)(C)C 772648441 KFJYKKZBTYFPBX-HNNXBMFYSA-N 425.485 5.581 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 780165853 IPIGWVMKQAKJSJ-AWEZNQCLSA-N 437.839 5.584 30 20 IKED Cc1sc([C@@H](C)NC(=O)Nc2ccccc2O[C@@H](C)C#N)nc1-c1ccc(Cl)cc1 780666955 DHRVHXOPTPCEGF-UONOGXRCSA-N 440.956 5.946 30 20 IKED Cc1cc(C#N)ccc1C(=O)Nc1cc(Br)cc(C)c1NC(=O)OC(C)(C)C 784690265 IKELBNBTMPBXIG-UHFFFAOYSA-N 444.329 5.537 30 20 IKED COc1cccc([C@H](C)CC(=O)[C@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1 787050578 PZRRDTRZTQPSIO-LPMFXHHGSA-N 433.335 5.082 30 20 IKED CC(=NNc1ncnc2cc(-c3ccc(Br)cc3)sc12)c1ccnc(O)c1 790290119 ITZDNUQAFWINQR-UHFFFAOYSA-N 440.326 5.058 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)ccc21 793594763 ODEFNHOYGFTXNS-ISKFKSNPSA-N 445.563 5.286 30 20 IKED Cc1cc(C#N)ccc1NC1CCC(OC(=O)c2sc([C@@H]3CCCOC3)nc2C)CC1 796996647 KSCXHPZDKTUPFN-XEVCZEQESA-N 439.581 5.106 30 20 IKED CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797566556 NJIPVQDIOAJZSK-NZQKXSOJSA-N 447.604 5.154 30 20 IKED Cc1nc(CCC(=O)OC[C@H]2CC[C@@H](C#N)CC2)oc1-c1ccc(Br)cc1 809085905 QSPUWTXGIUAYBF-IYBDPMFKSA-N 431.330 5.218 30 20 IKED N#CCOc1ccccc1-c1nc(-c2ccc(Oc3ccccc3C(F)(F)F)nc2)no1 809421726 XSSQHZFMLLEQNJ-UHFFFAOYSA-N 438.365 5.512 30 20 IKED N#Cc1ccc(Br)c(CNc2cccc(S(=O)(=O)C3CCCCC3)c2)c1 864029183 CRFGIZXMIGPYCT-UHFFFAOYSA-N 433.371 5.039 30 20 IKED O=C1c2cccc3cccc(c23)C(=O)N1c1ccc(N=Cc2cc3ccccc3nc2O)cc1 912775423 BBWFTYLKSIKAJT-UHFFFAOYSA-N 443.462 5.645 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C\c1ccccc1OC(F)(F)F 916911100 ZENKBQRINMAFHH-MENFKHAKSA-N 430.426 5.071 30 20 IKED Cc1nc(-c2ccccc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916928402 ZJXSXIKUYKDKTD-CQSZACIVSA-N 430.316 5.387 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)C(=O)Nc2ccc([C@H](C)CC)cc2)cc1OC 916954667 JUSAUJRIEPPJID-BEFAXECRSA-N 442.943 5.612 30 20 IKED CSc1cccc(N2C[C@@H](C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)CC2=O)c1 916974179 FWIXSRMRLYDOHR-PXNSSMCTSA-N 447.585 5.070 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2Cl)cc1 917876910 UCUJZQKWRZZCGD-UHFFFAOYSA-N 428.231 5.818 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2[nH]c3ccc(F)cc3c2Cl)c1 919428071 LIJJFQZVQIFFFQ-OAHLLOKOSA-N 441.890 5.069 30 20 IKED CC(=O)N(c1nc(/C=C2/COc3c(F)cc(F)cc3C2=O)cs1)c1ccc(F)cc1F 920066228 MRKLAIXCJZKLTK-WCIBSUBMSA-N 448.397 5.043 30 20 IKED COc1ccccc1N=C1SCCN1C(=O)c1ccc(C2SCCCS2)cc1 921191128 RNGCARNVFUQICR-UHFFFAOYSA-N 430.620 5.441 30 20 IKED O=c1c2c3c(sc2ncn1N=Cc1ccc(Oc2cc(F)cc(F)c2)cc1)CCCC3 921251256 HNNASAKFOFFKEF-UHFFFAOYSA-N 437.471 5.290 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3nccc4occc34)cc2)CCC1 1788340166 UJXCSJHFAUIYMK-HXUWFJFHSA-N 429.520 5.344 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc4cc(F)ccc4[nH]3)cc2)CCC1)C(F)(F)F 1789236122 XUILBGAGUAXZCQ-UHFFFAOYSA-N 445.416 5.173 30 20 IKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3c4ccccc4n4ccsc34)cc2)CCC1 1790002689 OXAPADWBXVJBPG-UHFFFAOYSA-N 442.544 5.205 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)c3ccc(C)cc3)CCC2)cc1 1790569655 GHMZLWBFODVXCC-WOJBJXKFSA-N 435.568 5.034 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc(Cl)c3)CCC2)cc1 1790569844 UHLTYTOHIZIGRV-HNNXBMFYSA-N 445.922 5.028 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C)cccc2C)[C@@H]1c1cccnc1 1810504030 VIQYJOZTEARAHD-LADGPHEKSA-N 433.596 5.010 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2csc(-c3ccccc3)n2)n[nH]1 1818363100 VQTHLNFTYYPWJU-UZLBHIALSA-N 449.580 5.051 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3cc(C)[nH]c23)n[nH]1 1818651805 ZEFNBPLRACJPLO-SIKLNZKXSA-N 445.567 5.274 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)[nH]n1 1821919938 BYATUOMXSJFKIV-KUHUBIRLSA-N 439.947 5.063 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccc(F)cc2)C(C)C)n[nH]1 1822288290 HNLJAHNNBCKJHE-OAOOKAIFSA-N 440.563 5.193 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2)CC1 1830053818 CCDIVHQKGQFACP-DYESRHJHSA-N 436.518 5.151 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc3ccccc3c2)CC1 1831369629 CHZMQSCBSHMQRY-HFZDXXHNSA-N 432.608 5.214 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1cccc(OC)c1 11259713 ZNYFKCWWXQCRBD-UHFFFAOYSA-O 431.990 5.311 30 20 IKED Cc1ccc(C)c(N/C(S)=C(\C(=O)c2cc(C)sc2C)[n+]2ccc3c(c2)CCCC3)c1 22729832 USOHRGONZLHYDF-UHFFFAOYSA-O 449.665 6.199 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nc(-c3ccc(Cl)cc3)n[nH]2)c1 23967347 GDSDSOMCIRQFOE-MRXNPFEDSA-N 439.972 5.169 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1SCc1cscn1 29610185 DRZUQEIWAKYHJM-UHFFFAOYSA-N 432.492 5.236 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1 409824919 VOZLRVCHXNPQLK-DLBZAZTESA-N 427.253 5.560 30 20 IKED Cn1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c2ccccc2c1=O 428177239 ORMZRHUFNODKDI-NRFANRHFSA-N 427.891 5.100 30 20 IKED N#C[C@@H](C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)c1ccc(C(F)(F)F)cn1 430517863 GYCMWXVZPVTORR-GFCCVEGCSA-N 425.197 5.083 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cnn1-c1ccc(Br)cc1 430639816 GHUWAZRHCPZCTH-HNNXBMFYSA-N 443.370 5.187 30 20 IKED CCN([C@@H](c1ccc(C(C)C)cc1)c1cccnc1)S(=O)(=O)c1ccc(F)c(C#N)c1 431900420 SZPJXFMOYWWSAX-DEOSSOPVSA-N 437.540 5.016 30 20 IKED C[C@@](C#N)(CCc1ccccc1)NC(=O)c1cc(C(F)(F)F)ccc1Br 433186092 CWFFFJCIMYVOIZ-SFHVURJKSA-N 425.248 5.113 30 20 IKED N#CCCn1cc(CNCc2nc(-c3cc4ccccc4o3)cs2)c(-c2ccncc2)n1 433329901 HYBSECIWESVBPH-UHFFFAOYSA-N 440.532 5.018 30 20 IKED COc1ccccc1CN(Cc1cccs1)Cc1cn(CCC#N)nc1-c1ccncc1 434834346 PVTDJVHVSVEAAQ-UHFFFAOYSA-N 443.576 5.131 30 20 IKED CN(C(=O)C1(c2cccc(C#N)c2)CC1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 435022480 ZJGIYWRRZSBRMK-UHFFFAOYSA-N 437.421 5.459 30 20 IKED C=CCC[C@H](NC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1)c1ccccc1 435766042 UHFTXSAAFOHDPQ-UNMCSNQZSA-N 434.515 5.472 30 20 IKED CCn1ncc2c(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc(-c3ccccc3)nc21 436354745 QSVLLDNWXRXCTM-DHLKQENFSA-N 435.531 5.030 30 20 IKED COc1cccc(-c2c[nH]cc2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 437473012 LBTUKOHDWIOPPM-UHFFFAOYSA-N 427.435 5.746 30 20 IKED C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](c2ccc(F)cc2)O1 438023165 LCAYUZKFNPZCFZ-BXKMTCNYSA-N 431.467 5.484 30 20 IKED C[C@@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)Oc1ccc(Br)cc1 438076684 SMAOLALASMTFFG-CABCVRRESA-N 448.386 5.290 30 20 IKED COc1cc2c(cc1OC)CN(C(=O)Nc1ccc(Oc3ccccc3C#N)c(F)c1)CC2 438663408 WBMLEUGJSMNZHZ-UHFFFAOYSA-N 447.466 5.097 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)c1 439350345 MTAZVIYUCHWYFZ-UHFFFAOYSA-N 440.899 5.229 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)Nc3cccc(CC(F)(F)F)c3)cc2)c1 441067029 SALIBZLTYBEEQR-UHFFFAOYSA-N 439.393 5.033 30 20 IKED Cc1cccc2nc(C3CCN(C(=O)c4cn(CCCC#N)c5ccccc45)CC3)oc12 444376460 NLGUOTMKWULMCG-UHFFFAOYSA-N 426.520 5.415 30 20 IKED C=CC[C@H]1N(C(=O)Nc2ccccc2CN(C)C(=O)c2cccs2)CCCC1(C)C 444897060 FLWSJGXILYWZJR-OAQYLSRUSA-N 425.598 5.619 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccc(Cl)cc1C 461755832 MVZGKUOZRVNVDR-MRXNPFEDSA-N 442.972 5.124 30 20 IKED Cc1nc(C2CCCC2)sc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 463274574 RGQKIYBGAXELNQ-UHFFFAOYSA-N 430.533 5.485 30 20 IKED CC(C)CCN(CCC#N)C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 463985153 YSXITWVXCBFMMF-UHFFFAOYSA-N 430.911 5.525 30 20 IKED C[C@]1(O)CCCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CC1 467938161 LQZJZQJRHHQFFQ-NRFANRHFSA-N 433.430 5.138 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc2c(C(F)F)nn(C)c2s1 470848939 WIEYNSHAQXRFFG-UHFFFAOYSA-N 438.459 5.797 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 475559514 PIRWVHNDBIAVKL-HXUWFJFHSA-N 448.542 6.139 30 20 IKED C=CCN(C(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1)c1nc2c(s1)CCCC2 476584422 OTQCGNVZQCJFLG-UHFFFAOYSA-N 448.379 5.051 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2c(F)cc(F)cc2F)nc2cc(Cl)ccc2c1=O 476613029 MVPRBBOHOHNJRS-JTQLQIEISA-N 438.858 5.017 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 479989325 DQPJEGPZDCAQDN-VEXUSMLFSA-N 442.584 6.260 30 20 IKED O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)N[C@H](CC(F)(F)F)c1ccccc1 482457633 TWRXUFXNELVZHG-HIFRSBDPSA-N 426.307 5.561 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H](Cc1ccc(Cl)cc1Cl)C(C)C 482738850 XCXMHMTUBUPQAV-IBGZPJMESA-N 449.426 5.284 30 20 IKED CCc1c(C)sc(NC(=O)c2cc(Br)ccc2Br)c1C#N 483975476 ASHOGQHTXARIGT-UHFFFAOYSA-N 428.149 5.268 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3occc3COc3ccccc3)c2)c1 490429272 DVZXRJOOUACXGB-UHFFFAOYSA-N 437.455 5.235 30 20 IKED Cc1sc(NC(=O)CN[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c(C#N)c1C 505825522 MNYZCWONIGQZEG-HNNXBMFYSA-N 435.393 5.087 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1 508565271 RIACZJAOCACEKY-UHFFFAOYSA-N 437.455 5.235 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(Nc2cccc(C)c2)CC1 508901402 FWXKTZPRLJNWJW-DQEYMECFSA-N 443.595 5.099 30 20 IKED Cc1ccc(-c2cc(C(=O)Nc3cc(C#N)ccc3OC(C)C)c3c(C)noc3n2)cc1 509229918 KSWVRQRWQWBVLA-UHFFFAOYSA-N 426.476 5.418 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)cc1C(F)(F)F 511591288 CRYHJOCYQKUORF-UHFFFAOYSA-N 440.263 5.784 30 20 IKED Cc1cc(-c2cc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)c3c(C)noc3n2)c(C)o1 513181374 QIBWVFFIVJSDIT-INIZCTEOSA-N 440.381 5.312 30 20 IKED Cc1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c(OC[C@H]2CCCO2)c1 513475879 LXZRBZQVERMQSN-HSZRJFAPSA-N 442.515 5.256 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4nc5ccccc5s4)cc3)o2)c1 513655711 UMIOYKURRHGQQX-LJQANCHMSA-N 436.496 5.812 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H]3c3cccc(F)c3)c2)cc1 515796455 ARIKKTSVGMTOBD-RUZDIDTESA-N 429.495 5.840 30 20 IKED C=CCOc1cccc(NC(=O)C(=O)N[C@@H](c2ccc(CCC)cc2)c2cccs2)c1 516737369 UPBXMOKJMNGKQK-QHCPKHFHSA-N 434.561 5.110 30 20 IKED N#CCCCOc1cccc(CNC[C@H](c2ccccc2)N2CCc3sccc3C2)c1 517537293 MKQWZUBHAUKPRH-RUZDIDTESA-N 431.605 5.320 30 20 IKED CCOC(=O)c1cccc(N(CC)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 517653448 TTZTWXSAFSTBGE-UHFFFAOYSA-N 428.488 5.388 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1csc(-c2ccoc2)n1 519416254 MPLMVKTWMJMYKM-AWEZNQCLSA-N 429.592 5.527 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N[C@](C)(C#N)C1CCCCC1 519725721 LCPKFEHHLAIBHM-JOCHJYFZSA-N 433.383 5.317 30 20 IKED CC(=O)N[C@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(Cl)cc1 519991644 YIQWQQOWHIEROT-HSZRJFAPSA-N 433.895 5.210 30 20 IKED C[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccccc1Oc1ccccc1 520911808 JFYMHMUGTIWBOV-OAQYLSRUSA-N 441.531 5.383 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N(Cc3ccco3)Cc3cccs3)cc2)cc1 521089254 GDZMRQWIQKFZJJ-UHFFFAOYSA-N 428.513 6.042 30 20 IKED Cc1occc1C(=O)Nc1cc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)ccc1F 521834541 ZNUPBFHQXPXAQH-UHFFFAOYSA-N 448.498 5.541 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCC[C@H]2c2cccc(Br)c2)c1 521960341 QXXHCKOVSIRYNU-NRFANRHFSA-N 427.342 5.234 30 20 IKED CC[C@@H](C)n1ncc2c(C(=O)[C@H](C#N)c3nc(-c4ccc(OC)cc4)cs3)cc(C)nc21 523960389 OKFLPVBBPBVQQM-BEFAXECRSA-N 445.548 5.333 30 20 IKED CC[C@@H](C)[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(Cl)cc1 525090845 KZUQPFAHVUKNAK-KOSHJBKYSA-N 425.960 5.270 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2[C@H]3CC[C@H]2c2ccccc23)c1 530308331 MIMYMXVJSCKCHN-GOTSBHOMSA-N 439.540 5.321 30 20 IKED N#Cc1ccc(C(=O)N(Cc2ccc(OC(F)F)cc2)C23CC4CC(CC(C4)C2)C3)nc1 531509322 NEFWSMURELBFKQ-UHFFFAOYSA-N 437.490 5.166 30 20 IKED COC(=O)c1cccc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)c1C#N 534428222 OMVSWGRVHVGVKQ-UHFFFAOYSA-N 446.557 5.005 30 20 IKED CCN(Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1)[C@@H](C)c1ccc(C#N)cc1 534487175 OUTLFAHJSKMROK-IBGZPJMESA-N 432.593 5.899 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@H](C)c1ccc(SC(C)C)cc1 538203175 DPAZUWIJLYGWSH-RTBURBONSA-N 425.598 5.182 30 20 IKED Cc1ccc2nc([C@H]3CCCN(CC(=O)Nc4ccccc4S[C@H](C)CC#N)C3)[nH]c2c1 539219374 HVNREDNVHAHQGQ-MOPGFXCFSA-N 447.608 5.084 30 20 IKED C[S@](=O)c1ccc(NC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1F 539458201 DFJYZZPRWNZESV-ONSXPEOJSA-N 442.356 5.007 30 20 IKED CC(C)n1c(SCCCC2(C#N)CCOCC2)nnc1-c1ccc(Cl)cc1Cl 540606910 IVNNMLQQZGKLIJ-UHFFFAOYSA-N 439.412 6.025 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C#N)CC3)n2Cc2ccccc2)c1 549133593 IHFKUZQZGUCDEY-UHFFFAOYSA-N 429.568 5.077 30 20 IKED N#CCC1CCN(c2nnc(-c3cccc(C(F)(F)F)c3)n2Cc2ccccc2)CC1 549510647 YLCJXYHPKNNQKW-UHFFFAOYSA-N 425.458 5.142 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C)O[C@H](c2ccc(F)cc2)C1 549698754 IAAZULJYSRTKTF-UUOWRZLLSA-N 445.542 5.032 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cnn(C)c1 552472800 NASLDSLUXQJZGF-FTJBHMTQSA-N 442.607 5.126 30 20 IKED CC1(C(=O)Nc2cccc(Oc3cnccn3)c2)CCN(c2ccc(Cl)cc2C#N)CC1 552755948 UZVFVRLZOSWCLO-UHFFFAOYSA-N 447.926 5.039 30 20 IKED C[C@H]1CN(Cc2ccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)C[C@@H](C)O1 554319449 BWRDLOIMTFEPAL-ZRGWGRIASA-N 439.968 5.049 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)Nc2ccc(Sc3ccccc3Cl)cc2)CC1 554557650 YFYKCKJZUHBYNM-UHFFFAOYSA-N 448.979 5.975 30 20 IKED CCN(C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[C@@H](C)c1cc2ccccc2o1 558511094 KWVFJYHKPKENJD-KRWDZBQOSA-N 426.476 6.107 30 20 IKED C=CCN(CCC#N)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 561017304 ZHEFQOAOSILKSL-OBGWFSINSA-N 432.505 5.063 30 20 IKED CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 577996197 KISNOFLFQXFOCO-JOCHJYFZSA-N 448.910 5.610 30 20 IKED C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N(C)CCOCc1ccc(C#N)cc1 578914608 GRXJJOSFEFDEOZ-CQSZACIVSA-N 431.323 5.125 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3cccs3)C[C@@H]3CCCO3)cn2)cc1 603691069 YCVBKAYHDUADGO-FQEVSTJZSA-N 434.521 5.020 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)cn2)cc1 603764576 NZWNZEDSMNDDFU-UHFFFAOYSA-N 446.466 5.449 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCOCC(F)(F)F)cc1Cl 603814973 DGFOUUBSZDIATF-KRWDZBQOSA-N 425.838 5.086 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(NC(=O)C2CC2)cc1 604461400 URNHRIYPUBTENP-KRWDZBQOSA-N 440.503 5.582 30 20 IKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(CCCc3ccccc3)cc2)cc1 608809190 ZETGJHGWAOBSFL-UHFFFAOYSA-N 446.572 5.192 30 20 IKED Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)cc2)n1 609063580 DTFVWSUDFBAPIZ-UHFFFAOYSA-N 436.515 5.121 30 20 IKED Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)n2)n1 609175928 PNYWTHKZYVFDBD-UHFFFAOYSA-N 443.894 5.454 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)cc1 609312084 YIFGIRAIKFBOQD-FQEVSTJZSA-N 449.526 5.137 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 609399163 CMSPVPZGBLLGRE-HNNXBMFYSA-N 435.018 5.003 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1OC(C)C 609401853 BYNKSYKXFIBEEB-IAGOWNOFSA-N 427.570 5.617 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 609434852 VAHZNWWKRHBSEZ-IAGOWNOFSA-N 436.606 6.102 30 20 IKED N#C[C@@H](NC(=O)Cn1c(Cc2ccccc2)nc2ccccc21)c1cccc(C(F)(F)F)c1 609460826 VHFQUJCIVJSCBI-OAQYLSRUSA-N 448.448 5.027 30 20 IKED COc1ccccc1-c1cccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 609555706 DNZDNIJHYIHQEY-UHFFFAOYSA-N 427.504 5.309 30 20 IKED COc1cc(C[S@](=O)[C@@H](C)c2ccc(F)c(F)c2)ccc1OCc1cccc(C#N)c1 609923815 RVHLUUGVYJEFGH-ZYSBOAIWSA-N 441.499 5.434 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 610223422 FGQVEVNFEWMQDQ-GOTSBHOMSA-N 442.490 5.114 30 20 IKED O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618366235 ZZDHBUWDUFQPSF-OKILXGFUSA-N 447.350 5.260 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)cc1 619210342 NFABJWVQTNIBHV-FQEVSTJZSA-N 441.531 5.288 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1ccccc1 676457019 RBLFFPIPLXHOLJ-QGZVFWFLSA-N 426.385 5.103 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H](C1CCCC1)C(F)(F)F 681471275 WWKLKNRJHKPVLC-FOGDFJRCSA-N 428.339 5.316 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1c(F)cc(C(F)(F)F)cc1F 685605138 WUAIKJXOUSMSLO-RNFRBKRXSA-N 443.256 5.623 30 20 IKED O=S(=O)(Cc1c(F)c(F)c(F)c(F)c1F)C(c1ccc(F)cc1)c1ccc(F)cc1 726069801 STLHSASXDLVUSX-UHFFFAOYSA-N 448.359 5.365 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cn(C)c3ccccc23)cs1 726740284 AWQFGHSXCZDLMA-XFXZXTDPSA-N 435.936 5.869 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(Cl)c(OCC(C)C)c(OC)c1 726755606 RNDPJOISBOIOPB-UHFFFAOYSA-N 437.927 5.132 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)COc2ccccc2OCC(F)(F)F)cc1 727662899 BQXSBABUXJZEDS-HXUWFJFHSA-N 440.421 5.301 30 20 IKED N#C[C@@H](C(=O)CCc1cccc(OC2CCCC2)c1)C(=O)Nc1cccc2ccccc12 727953569 JYHASFDDLRKPKH-DEOSSOPVSA-N 426.516 5.441 30 20 IKED N#Cc1cccc(COc2ccc(NCC(=O)Nc3ccc(F)cc3Cl)cc2Cl)c1 728052813 NJTRWGQLWZSDAL-UHFFFAOYSA-N 444.293 5.634 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H](C)Oc2ccc(CCC(C)=O)cc2)c1 728181802 CXOHWGOGDHPSBV-FQEVSTJZSA-N 431.557 5.252 30 20 IKED Cc1ccsc1-c1nnc(S[C@@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)o1 730150061 GNXJUXLGUOTJMQ-HIXWQLQUSA-N 425.579 5.468 30 20 IKED C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 731114294 MYSQZDDRDSXYSV-FGTMMUONSA-N 446.617 5.095 30 20 IKED CC(C)(C)c1ccc(N2CCC(NC(=O)CCCCOc3cccc(C#N)c3)CC2)cc1 731991077 NMFRGEJGDMSLJG-UHFFFAOYSA-N 433.596 5.190 30 20 IKED Cc1cc(C(=O)Nc2cccc(CNC(=O)OC(C)(C)C)c2)c(C)n1-c1ccc(C#N)cc1 732123462 BIUZHRJHXMWLPL-UHFFFAOYSA-N 444.535 5.243 30 20 IKED C#CCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CCOc2ccc(Br)cc21 733615787 XIGPYKXUMGWXCN-GOSISDBHSA-N 431.355 5.162 30 20 IKED N#C[C@@H]1C(CN2CCCCC[C@@H]2c2ccc(Cl)cc2)=CC(=O)n2c1nc1ccccc12 735311425 JKZXODDEHLZEHW-IFMALSPDSA-N 430.939 5.494 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2CSc2nc[nH]n2)cc1 737794214 OBOCGYRVOSYVJO-JOCHJYFZSA-N 425.517 5.005 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](CCO)c2cccs2)cc1Cl 741061330 SLWSOYBDVJQPMS-AZUAARDMSA-N 425.941 5.302 30 20 IKED CS(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(-c3ccc(Br)cc3)o2)cc1F 741847816 RNWFAIJPQPHXGA-VQHVLOKHSA-N 449.297 5.148 30 20 IKED C#Cc1cccc(NC(=S)N(Cc2ccccc2)[C@@H]2CCOc3ccc(OC)cc32)c1 741862540 RYEYWZJPLZXRQJ-XMMPIXPASA-N 428.557 5.399 30 20 IKED C[C@H](Oc1cccc(Br)c1)C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 744037172 OURBFTSIZRXMAC-GUYCJALGSA-N 427.323 5.216 30 20 IKED CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 745834510 KRZCGMXWUILSOG-UHFFFAOYSA-N 432.593 5.473 30 20 IKED O=C(O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)C1CCN(CC(F)(F)F)CC1 747789345 IFUMVANQKUINIL-CYBMUJFWSA-N 437.302 5.126 30 20 IKED CC(=O)N(c1nc(COC(=O)c2ccc(Sc3ccccc3C#N)cc2)cs1)C1CC1 748233991 AWGXCTMOKLZPOL-UHFFFAOYSA-N 449.557 5.038 30 20 IKED Cc1cc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)ccc1N1CCSCC1 749817517 DBWFVSOXBZCIRD-UHFFFAOYSA-N 443.572 5.251 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 754474301 QRTIXEKXTVZOMV-UHFFFAOYSA-N 436.556 5.904 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 756518187 VZAYBIJOSQDNQS-GOSISDBHSA-N 433.533 5.576 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc4ccc(Cl)cc4n3)n2)cc1 759268018 LCZDSYWDQFAQGC-OJLWIZQOSA-N 445.931 5.910 30 20 IKED Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C/c3ccc(F)c(C#N)c3Cl)s2)cc1 761475837 GKSUBTVXJCAURG-NVNXTCNLSA-N 447.322 5.178 30 20 IKED N#Cc1cc(NC(=O)c2cccc(COc3cccc(F)c3)c2)c(Cl)c([N+](=O)[O-])c1 764306847 YOJQWKGLGWVDNM-UHFFFAOYSA-N 425.803 5.090 30 20 IKED N#Cc1ccc([C@@H](O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)cc1 764714269 DHQLDLUMYCCJEI-NRFANRHFSA-N 432.936 5.285 30 20 IKED O=C(C[C@H](c1ccccc1)C(F)(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F 764753205 IXHSAUWZMFWZRE-SECBINFHSA-N 432.229 5.437 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)c1 766683365 BQOLDOPVGMARKA-FQEVSTJZSA-N 444.922 5.290 30 20 IKED O=C(/C=C\c1ccccc1OCc1cccnc1)c1ccc(N2CCOCC2)cc1Cl 768842840 XPPWOUQCTFFJIJ-YFHOEESVSA-N 434.923 5.047 30 20 IKED CCOc1c(OC)cc(/C=C\C(=O)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)cc1OC 771100413 YIKNKMLJZDIUBL-QIBOZCLASA-N 444.499 5.086 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2c(C)noc2C)[n+]2ccc(C(CC)CC)cc2)c1 773937078 QQLXBCAITVHVHF-UHFFFAOYSA-O 446.596 5.787 30 20 IKED C=CCC[C@H](C(=O)OCc1csc(N(C(C)=O)c2cccc(C)c2C)n1)c1ccccc1 778553616 XEMLWBYUIRDKAK-QHCPKHFHSA-N 448.588 6.238 30 20 IKED CN(C(=O)NCc1ccc(C#N)cn1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 780651577 QHQDYYLHRRKOGD-UHFFFAOYSA-N 425.319 5.191 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 780668742 YBRQXIBIJINTKY-AVRWGWEMSA-N 427.504 5.214 30 20 IKED CC(C)(C)OC(=O)NCCCCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 781943598 LZVOVNVLNWXCSN-FQEVSTJZSA-N 441.959 5.629 30 20 IKED C[C@H](NC(=S)Nc1ccc2c(c1)OCCCO2)c1ccc(-c2cccc(C#N)c2)cc1 782203175 DGUHVIXXFKUSHM-KRWDZBQOSA-N 429.545 5.434 30 20 IKED O=C(c1ccnc(C(F)(F)F)c1)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 808422997 IOCFFFFAGMUHPC-UHFFFAOYSA-N 436.327 5.100 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ncc(C4(O)CCCCC4)s3)cc2)cc1 809777139 FPSNIAJUQCESNG-UHFFFAOYSA-N 433.533 5.405 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl)c1ccccc1 814615691 OCGNKKHDJJGRCI-MSOLQXFVSA-N 448.419 6.529 30 20 IKED Cc1ccc(C(=O)N2C[C@@H](c3ccc([N+](=O)[O-])cc3)SC2=Nc2ccccc2C)cn1 818060199 MTIRIHTUKAYKSJ-NRFANRHFSA-N 432.505 5.225 30 20 IKED O=S(=O)(Nc1ccccc1Cl)c1cccc(N=Cc2cc3ccccc3nc2O)c1 912773500 VYDBOWGVTAUBST-UHFFFAOYSA-N 437.908 5.145 30 20 IKED Cc1cc(Br)cc2c1NC(=O)C2=NNc1cc(C)c2cc(Cl)ccc2n1 915048635 IXESAZJKBDKDKH-UHFFFAOYSA-N 429.705 5.036 30 20 IKED N#C[C@@H](C(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1nc2ccccc2n1C(F)F 915106594 FBKXKJHKIQUFNU-AVRDEDQJSA-N 433.483 6.141 30 20 IKED Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915180818 SBBKIJUTWIWQHC-OAQYLSRUSA-N 427.891 6.211 30 20 IKED O=C(/C(=C\c1csc(-c2ccccn2)n1)c1nc2ccccc2s1)c1ccccc1 915982397 AHYUFQKBRBKNNF-NBVRZTHBSA-N 425.538 6.238 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)c1 916896900 QFMLYISAKNHSJF-LJQANCHMSA-N 448.935 5.318 30 20 IKED N#C[C@@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)C(=O)Nc1ccccc1 916899873 GVEZWEFASHWXGU-QFIPXVFZSA-N 425.463 5.254 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 916906570 DTWYUWDTEBKTCG-RYRKJORJSA-N 430.426 5.495 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(OC(C)C)cc2)cs1 917559412 IOUDJZUGWCUUHJ-MDWZMJQESA-N 440.952 6.164 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccccc2C(F)(F)F)cs1 917561856 PNYHPQCVRFOVJK-FMIVXFBMSA-N 430.451 6.051 30 20 IKED C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(C(F)(F)F)cc1 920108855 BAMYQEDJWPANDG-ABAIWWIYSA-N 443.252 5.853 30 20 IKED C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920142958 XUWQMJJDTNRLMZ-IERDGZPVSA-N 429.545 5.623 30 20 IKED Brc1ccc(-c2nc(CON=Cc3ccccc3Br)co2)cc1 920486000 MGYPRPVCOJGWTA-UHFFFAOYSA-N 436.103 5.417 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(N2CCOC2=O)cc1 920977420 YPDAHZQKNHNRIS-HOYKHHGWSA-N 440.503 5.181 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CCc3ccnc(C)c3)cc2)CCC1 1786737434 STZSAJZYPFUSHZ-UHFFFAOYSA-N 431.580 5.225 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5cccnc45)cc3)CCC2)c1 1788910416 DTRPOQYZDSKOPW-UHFFFAOYSA-N 446.510 5.168 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc4cccc(C)c4[nH]3)cc2)CCC1)C(F)(F)F 1789255244 DQXQATAUUZSSLH-UHFFFAOYSA-N 441.453 5.343 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H](C)c3ccccc3)CCC2)cc1 1790569565 DHXRXJCOMIWGMS-WOJBJXKFSA-N 435.568 5.115 30 20 IKED CC(C)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@H](C)C#N)c2)C3)cc1 1799713569 DPFNBRYZVSIITH-FUJBWUKOSA-N 429.564 5.003 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1828151373 BWLDXWIVLMFDMF-HXOBKFHXSA-N 442.003 5.267 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cccc(C)c3[nH]2)CC1 1828545036 YEDBRGBUDSFWIB-VWLOTQADSA-N 447.623 5.478 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CNc2ccccc2C)CC1 1829067761 XKNDIHAANCAFPR-XMMPIXPASA-N 439.644 5.019 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2)CC1 1830053819 CCDIVHQKGQFACP-LAUBAEHRSA-N 436.518 5.151 30 20 IKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 1831850213 URWXUWBSRKKFOE-RVFVQDDPSA-N 426.645 5.016 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@]2(F)CCCC=C2F)CC1 1832977288 BBANIQSLCGYREY-OFVILXPXSA-N 434.571 5.120 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2c(C)cccc2C)cc1 11153336 PGECWYKBKSDWSG-UHFFFAOYSA-O 425.524 5.482 30 20 IKED N#CCCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(Cl)c1 22354100 PWZKCRWDLSAOSZ-UHFFFAOYSA-N 433.320 5.082 30 20 IKED Cc1nn(-c2ccccc2)c(COC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1C#N 23204370 SLTFXVOJDCALNZ-UHFFFAOYSA-N 446.894 5.037 30 20 IKED Cc1c(C#N)c(NC(=O)CN2CCC[C@H](c3nc4ccccc4o3)C2)n(C2CCCC2)c1C 24668154 BRTSKQNBVKVIGO-IBGZPJMESA-N 445.567 5.051 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CSc2ccc(C(F)(F)F)cn2)cc1 38641902 JVUCZMYJBSQXRQ-LJQANCHMSA-N 427.451 5.487 30 20 IKED Cc1nccn1-c1ccccc1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1 61624191 SBUQGKPFMYZXLU-UHFFFAOYSA-N 438.556 5.275 30 20 IKED CCOc1ccc(N(C(=O)CCc2ccc(C#N)cc2)c2nc3ccccc3s2)cc1 96992055 GFTHBJBZXCPXDK-UHFFFAOYSA-N 427.529 5.864 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2Br)cc1Cl 107876938 UMDAEGBNYWRGSX-GOSISDBHSA-N 425.713 6.010 30 20 IKED CC[C@H](Sc1ccccc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 303419490 CHXXHLNXXKVCJZ-KRWDZBQOSA-N 426.592 5.211 30 20 IKED Cc1cc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)ccc1NC(=O)CC(C)C 303998767 JWUDPLNHVFNSNZ-UHFFFAOYSA-N 441.531 5.683 30 20 IKED C=CCCc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1 410363696 KEYLINAGYHFMCN-UHFFFAOYSA-N 442.559 5.458 30 20 IKED N#CCCn1ncc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)c1-c1ccccc1 428310944 JLNQVYDBNRAQBH-UHFFFAOYSA-N 433.924 5.493 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H](c1cccc(Cl)c1)C1CCCC1 433890832 ONXHZZFATYSVFI-OAQYLSRUSA-N 441.984 5.332 30 20 IKED C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1cccc(OC(F)(F)F)c1 440800785 GGJPIMSFQIUBAW-AWEZNQCLSA-N 430.382 5.120 30 20 IKED CCC[C@@H](CC)NC(=O)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 442194016 ZJMZJQRYKAYLNV-MRXNPFEDSA-N 433.430 5.003 30 20 IKED C=CCC[C@@H](NC(=O)N[C@H](C)c1ccc(NC(N)=O)cc1)c1ccc(C(F)(F)F)cc1 442299188 WUAQBIVJPVOITB-AUUYWEPGSA-N 434.462 5.264 30 20 IKED N#Cc1ccccc1N1CCCN(C(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)CC1 442313460 WNCHEOJBCZTYSI-UHFFFAOYSA-N 439.346 5.213 30 20 IKED CCOC(=O)[C@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)Cc2ccccc21 448364707 VDOKTKSNOAZZHD-DEOSSOPVSA-N 441.487 5.045 30 20 IKED COc1cccc(-c2ccc(CNC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cc2)c1 460463083 YFFMTIMSMZOQMB-UHFFFAOYSA-N 435.483 5.351 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H](C[C@H](C)O)c1ccccc1 469689173 FVEZKDXZTFWMKZ-RDPSFJRHSA-N 443.547 5.122 30 20 IKED CC1(C)[C@H](C(F)(F)F)CCN1C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 470529116 XIIMSPLATLHODJ-VXGBXAGGSA-N 434.327 5.264 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 474278394 WTLMTRGZOPTQGV-YVEFUNNKSA-N 430.348 5.154 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 474512867 BUZDDQLJEDJECV-CYBMUJFWSA-N 434.924 5.358 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CC(c3nc4ccccc4s3)C2)cc1 477739007 LARMJAVNCDCBQD-UHFFFAOYSA-N 441.581 5.700 30 20 IKED N#Cc1ccccc1Sc1ccc(-c2nc(CC(=O)Nc3ccc(F)cc3)no2)cc1 481031667 CKTHWNNFJIAOIN-UHFFFAOYSA-N 430.464 5.080 30 20 IKED C=C(C)[C@H](NC(=O)N(Cc1cccc(C)n1)Cc1cccc(C)n1)c1ccc(F)c(F)c1 483302190 IULYQMBIPINJGV-DEOSSOPVSA-N 436.506 5.401 30 20 IKED CCc1c(NC(=O)N[C@@H](CCC#N)c2ccccc2)cnn1-c1cccc(C(F)(F)F)c1 485356582 ZCWSEQPZUNXYEM-IBGZPJMESA-N 441.457 5.620 30 20 IKED CC[C@@H](c1ccccc1)c1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)o1 488803408 ITHGRXFTCHTPAF-HIFRSBDPSA-N 438.578 5.153 30 20 IKED Cc1ccccc1-c1nc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)no1 493257912 JFXOBGWZVGIYJC-UHFFFAOYSA-N 440.528 5.139 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1nc(-c2ccccc2)cs1 497864903 NPIAZAAYFSBMCE-MRXNPFEDSA-N 432.486 5.332 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1ccc(-c2ccccc2OC)cc1 498015083 MWLLVJTZBUJPES-OAQYLSRUSA-N 446.595 5.989 30 20 IKED O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1OCCC(F)(F)F 500234200 VKKUSDVIJCYTGC-UHFFFAOYSA-N 425.300 5.193 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 501152740 YQTDXBRCKOWNHI-UHFFFAOYSA-N 434.521 5.429 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc(C)c1OCc1cccnc1 503574399 RNFCQPINZDXXIV-JOCHJYFZSA-N 439.540 5.891 30 20 IKED Cc1ccc(C(=O)Nc2nc(C)c(SCC#N)s2)cc1NC(=O)c1ccccc1F 504685086 PNQKCGFTDZJFBH-UHFFFAOYSA-N 440.525 5.019 30 20 IKED N#C[C@H](NC(=O)c1cccc(OCc2cccnc2)c1)c1ccc(OCc2ccccc2)cc1 505329886 HHIFQPSCQWYYTP-MHZLTWQESA-N 449.510 5.234 30 20 IKED Cc1cc(CSc2ncccc2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)no1 507895864 URXCRCKIFSHUBU-UHFFFAOYSA-N 442.500 5.587 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1N1CCC(c2nc3ccccc3s2)CC1 508934185 IOPOLUKETLHQJE-UHFFFAOYSA-N 449.555 5.176 30 20 IKED N#C[C@H](C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1nc2ccccc2n1C(F)F 509559556 QHXKSHOVFKYQKZ-GOSISDBHSA-N 449.844 5.806 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)NCCc3ccc4ccccc4c3)s2)cc1 510243356 LFGWPMYKDRTAJI-UHFFFAOYSA-N 445.573 5.219 30 20 IKED CC(C)(C)c1csc(C2CCN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)CC2)n1 511411102 RPVQVHIBZGWGDE-UHFFFAOYSA-N 449.576 5.504 30 20 IKED CC(C)(C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1cc(F)cc(C#N)c1 512713900 IXRLXNQXBSTVNU-SSEXGKCCSA-N 426.557 5.195 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 512941308 WDQWETFNCXQKGR-UHFFFAOYSA-N 441.990 6.306 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2 513275456 FMPQXUGUOXZGRA-ORBWHLTESA-N 437.399 6.084 30 20 IKED N#Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)sc2c1CCCC2 514470736 JMVSJENMJVGCTD-UHFFFAOYSA-N 435.530 5.810 30 20 IKED C=C(C)Cn1c(N(C)Cc2csc([C@H](C)OCC)n2)nnc1C(C)(C)c1ccccc1 514617476 KTLAWJIANQUISV-SFHVURJKSA-N 439.629 5.371 30 20 IKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1 515699236 HTEBCPBFHUNKNT-INIZCTEOSA-N 435.574 5.294 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)N(CC)[C@H](C)c3ccc(C#N)cc3)c12 516339043 MQMSPINRHQPRMX-MRXNPFEDSA-N 428.492 5.530 30 20 IKED Cn1c([C@@H]2CCCN2C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)nc2ccccc21 517678410 BTSYFSNKMZRBFR-VWLOTQADSA-N 436.515 5.409 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CCSc2ccccc2Cl)cc1 518319290 OOTBBAKSRDQKLJ-UHFFFAOYSA-N 436.964 6.106 30 20 IKED COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)ccc21 518320738 YVNAHPLRXFMLBR-FQEVSTJZSA-N 430.335 5.206 30 20 IKED CCc1cc(C#N)c(NC(=O)c2ccc(OCc3cc(C)no3)c(Br)c2)s1 519071533 LFUABPOLBSVRPQ-UHFFFAOYSA-N 446.326 5.072 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1 519414729 SNHAJHAKNGNWLY-AWEZNQCLSA-N 426.542 5.198 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCCc2c[nH]c3ccccc23)cc1 521698846 AIQKVGHUPJNRLW-UHFFFAOYSA-N 440.503 5.595 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)c1 522572356 RCLXREZNQTTYNL-HKUYNNGSSA-N 442.968 5.131 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCSc3ccc4c(c3)OCCO4)cc2)c1 523107896 UYXJWCHUWNNLBM-UHFFFAOYSA-N 446.528 5.029 30 20 IKED COc1ccccc1[C@@H](NC(=O)CSCc1ccc(C#N)cc1)c1ccccc1Cl 525031802 RAPVMNLSTXIXSO-DEOSSOPVSA-N 436.964 5.359 30 20 IKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C3CCN(C(=O)c4ccccc4)CC3)c2C#N)C1 525632524 PMWVKVUIUZOHIG-LJQANCHMSA-N 449.620 5.262 30 20 IKED Cc1ccc(C#N)cc1NC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 530593737 ZCVKPXFOJDUGJU-UHFFFAOYSA-N 432.320 5.001 30 20 IKED C=C[C@H](CC(=O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1)c1ccccc1 535500957 PRICJNMEVUIVGU-CQSZACIVSA-N 438.325 5.675 30 20 IKED CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1 537995105 IVPAWJXXMVTJHZ-UHFFFAOYSA-N 431.923 5.403 30 20 IKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc(Cl)c(C#N)c1)CC2 539783120 FHCOBSHINXBLHL-JOCHJYFZSA-N 438.936 5.078 30 20 IKED CC[C@@](C)(COc1ncccc1Cl)NC(=O)Nc1ccccc1SC[C@@H](C)C#N 541042414 MLSYJBZIWUKQHX-BTYIYWSLSA-N 432.977 5.356 30 20 IKED CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1F 541968120 LMPKUNJBZWJJBE-VLIAUNLRSA-N 447.963 5.183 30 20 IKED C[C@H](NC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 542060895 JPDFEKVNVXUQDA-HNNXBMFYSA-N 440.469 5.687 30 20 IKED C[C@H](NC(=O)N(Cc1ccco1)C[C@H]1CCCO1)c1ccc(-c2cccc(C#N)c2)cc1 543016633 JCPQXHJJECIHEF-UQBPGWFLSA-N 429.520 5.270 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(C)s2)nc2scc(-c3ccc(C)cc3)c2c1=O 550977766 YXEQSTKXWPMLMX-ZDUSSCGKSA-N 440.619 5.633 30 20 IKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 551370328 JHVNOYMGAVUVLX-INIZCTEOSA-N 433.895 5.237 30 20 IKED C=CCN1CCC(NCc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 552914347 ZQBWUAUPSVHLKR-UHFFFAOYSA-N 426.564 5.085 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 553452220 KWSZJHXGEDVEAD-UHFFFAOYSA-N 430.552 5.243 30 20 IKED COc1cccc(C2CCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)CC2)c1 554996601 DLIDSJOYPXXRRC-UHFFFAOYSA-N 428.492 5.166 30 20 IKED CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 555868131 XCWTWOBIXABJBS-IBGZPJMESA-N 430.470 5.216 30 20 IKED C=CCN(C(=O)c1cnc2c(cnn2C)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 561425750 SXZKJHYKKOSLJG-UHFFFAOYSA-N 444.347 5.231 30 20 IKED Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)c1cc(C#N)ccc1Cl 561756593 JOWBOTACZXNRFK-UHFFFAOYSA-N 446.913 6.509 30 20 IKED CCc1ccc([C@H](C#N)NC(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)cc1 565270075 NBEFHZUVYFUNNO-QHCPKHFHSA-N 443.572 5.283 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@H](C)C[C@@H]1c1ccccc1F 565568112 ZUWCXBWHPOWLJI-ZOGBDMNLSA-N 432.543 5.436 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1nc2ccccc2cc1Br 571916601 HTYVYUKBQGOAAC-ZDUSSCGKSA-N 426.339 5.501 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)CC1 579291785 GMVZWWLNXATLRA-UHFFFAOYSA-N 432.911 5.617 30 20 IKED Cc1cccc(-c2noc(CSCC(=O)Nc3ccccc3SC[C@H](C)C#N)n2)c1 581446293 OBHXZDWGFZTLCY-MRXNPFEDSA-N 438.578 5.169 30 20 IKED COc1ccc(-c2ocnc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 584076098 LGAQYOIPEOMFRJ-UHFFFAOYSA-N 439.471 5.362 30 20 IKED C=CCN(C(=O)Nc1ccccc1Oc1ccccc1)[C@H](C)c1cccc(-n2cnnn2)c1 596341301 JRBPQEZOCLZCSZ-LJQANCHMSA-N 440.507 5.236 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccccc2-c2cccs2)CC1 603616824 CEMZYOPSAYCTCX-UHFFFAOYSA-N 444.516 5.390 30 20 IKED CC(=O)N[C@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 603758733 DARUIAKXUDUMTG-LADGPHEKSA-N 431.923 5.201 30 20 IKED COCc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)oc2ccccc12 604026868 KHLJPZMKRWZVHD-UHFFFAOYSA-N 432.863 6.149 30 20 IKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 604520006 ZETVSVMFMSOQAE-SHQCIBLASA-N 440.543 5.377 30 20 IKED C[C@@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)NC(=O)C1CCCCC1 608937550 DPYSUCJCCXBDBS-JTSKRJEESA-N 437.971 5.409 30 20 IKED N#C[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1ccc(Cl)c(Cl)c1 609463714 RYABDFOIURPDFU-QGZVFWFLSA-N 436.751 5.694 30 20 IKED C[C@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nc2ccccc2n1C(F)F 609641452 VFRKLHPUIUDVMB-INIZCTEOSA-N 446.457 5.373 30 20 IKED C[C@@H](c1ccccc1)N1CCC(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 609712582 UDORIRIRQYIAFV-FQEVSTJZSA-N 440.547 5.698 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2C[C@@H]3CCCN3c3ccccc32)c1 609727226 FGXTZVMFXKRMRT-SFHVURJKSA-N 429.907 5.633 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)CCCCOc3cccc(C#N)c3)s2)cc1 610050985 VRBUWILGKGPEQQ-FQEVSTJZSA-N 447.604 6.067 30 20 IKED CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1 610172381 WTBGVSMZNSZYDF-UHFFFAOYSA-N 443.572 5.300 30 20 IKED CCCCn1c(SCc2ccc(C#N)cc2Br)nnc1[C@H](CC)N(C)C 611491576 SIBMOGSXIJYHJW-KRWDZBQOSA-N 436.423 5.017 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](Cc3ccncc3)C2)cc1Cl 611815226 CNWGTNHJVFYEJJ-CVDCTZTESA-N 430.939 5.487 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OC1CCCC1 613318745 BAYNIUMLZHJJJS-FQEVSTJZSA-N 432.545 5.939 30 20 IKED CC(C)c1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nn1C(C)(C)C 613404964 RHIGKKCILGZUSV-CYBMUJFWSA-N 434.487 5.880 30 20 IKED CC[C@@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(Br)cc1Cl 615085803 GWYGTSTVZZMCEG-LJQANCHMSA-N 433.781 5.079 30 20 IKED N#CC1(c2ccccn2)CCN(Cc2csc(-c3ccc(Br)cc3)n2)CC1 619723016 COLBWIUOCSIFHI-UHFFFAOYSA-N 439.382 5.025 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)CSc2nccn2-c2ccc(C(C)C)cc2)cc1 630032623 SIIMWUBAIQNJOH-UHFFFAOYSA-N 449.580 5.034 30 20 IKED N#C[C@@H](C(=O)c1ccc2c(c1)NC(=O)CS2)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 642281601 SDCQCLTURLJSAB-NMARRSBVSA-N 449.601 5.145 30 20 IKED O=C(N[C@@H](C1CCCC1)C(F)(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 681471277 WWKLKNRJHKPVLC-QCNOEVLYSA-N 428.339 5.316 30 20 IKED Cc1sc2ncn(N=Cc3ccc(Cl)c(C(F)(F)F)c3)c(=O)c2c1-c1ccccc1 727254123 OYUJSQAFZDKMJQ-UHFFFAOYSA-N 447.869 5.988 30 20 IKED N#Cc1ccc(COC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)c(F)c1 727894979 BSHRZNSHDLFASR-UHFFFAOYSA-N 431.398 5.274 30 20 IKED Cc1cc(C(=O)NC2(c3ccc(Cl)cc3)CCOCC2)c(C)n1-c1ccc(C#N)cc1 728273705 MMIFYHWLKHTXQL-UHFFFAOYSA-N 433.939 5.055 30 20 IKED Cc1sc2ncn(N=Cc3csc(-c4cccs4)n3)c(=O)c2c1-c1ccccc1 728427613 GKVKKDZLJVAFGE-UHFFFAOYSA-N 434.571 5.501 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(N4CCCCC4)c(Cl)c3)CC2)c1 729565443 RHDMEEVCSMWHOJ-UHFFFAOYSA-N 438.959 5.277 30 20 IKED CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 730141974 VETUAGKBTVZANI-XXBNENTESA-N 448.567 5.111 30 20 IKED C=CC[C@@H](NCc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1)c1ccncc1 734510160 RVGIAGQUPBZJGF-JOCHJYFZSA-N 443.374 6.383 30 20 IKED C#Cc1cccc(NC(=S)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)c1 734981482 KVSOTPSHZBHSFG-UHFFFAOYSA-N 441.343 5.431 30 20 IKED CCCn1c(SCc2cc(Cl)ccc2OCC#N)nnc1-c1ccc(Cl)cc1 735231017 MHWOEHYZLOHFBL-UHFFFAOYSA-N 433.364 5.857 30 20 IKED CCCCCCn1c(SCc2nnc(-c3ccc(C#N)cc3)o2)nc2ccccc2c1=O 741846261 HCFLJSOZTJHJAX-UHFFFAOYSA-N 445.548 5.191 30 20 IKED Sc1nnc([C@H]2CCCCO2)n1N=Cc1ccc(-c2cccc(Br)c2)s1 743452067 MCCQPKGNBWHVJY-OAHLLOKOSA-N 449.399 5.182 30 20 IKED Cc1ccc(C)c(-n2nc(C)c(/C=C/C(=O)c3ccc(N4CCOC4=O)cc3)c2Cl)c1 748583914 LTDNZARUCCHNNQ-ZHACJKMWSA-N 435.911 5.304 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)cc1 748617653 AGLVHPXGLGBSOD-RJGXRXQPSA-N 431.333 5.847 30 20 IKED CC(C)n1c([C@@H]2CCCN2CC(=O)[C@H](C#N)c2nc3ccccc3s2)nc2ccccc21 748823110 MTMHLXZKGIFHHZ-UWJYYQICSA-N 443.576 5.240 30 20 IKED N#C[C@@H](C(=O)CCc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1Cl 749025491 HIRMQRWONBSGNY-AWEZNQCLSA-N 440.124 5.036 30 20 IKED COc1ccc2c(c1)O/C(=C/c1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)C2=O 749131501 AFRJTDSARUYUTG-DJKKODMXSA-N 426.881 5.106 30 20 IKED C=CCC[C@@H](NC(=O)NCc1nc(Cc2ccccc2)no1)c1ccc(C(F)(F)F)cc1 750277814 RBYPMKWRPOZMGJ-LJQANCHMSA-N 444.457 5.186 30 20 IKED CCN(C(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1)c1ccc(C#N)cc1 753169735 BLYBMYLDNIWOGU-UHFFFAOYSA-N 438.483 5.219 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3cc(C)cc(Br)c3o2)cc1 753951638 XZQWZBJSAPCVML-MRXNPFEDSA-N 425.282 5.027 30 20 IKED CCC[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(F)cc1F 759075948 QVXDKIKXPSZGSX-LADGPHEKSA-N 447.485 5.216 30 20 IKED CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc1 762385245 SEERUHFTZSNRJA-VWLOTQADSA-N 439.519 5.253 30 20 IKED Cc1ccc(C(=O)CCCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 766276033 UBNXTPDNBQAPQZ-QFIPXVFZSA-N 440.499 5.488 30 20 IKED Cc1ccc(Cn2nc(C)c(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)c2Cl)cc1 768173223 BVYMDBVOOATECX-GOSISDBHSA-N 447.753 5.503 30 20 IKED N#C[C@H](COC(=O)c1coc(-c2ccccc2Cl)n1)Cc1cccc(Br)c1 774390068 BGGHVLDUCDMKPB-CQSZACIVSA-N 445.700 5.297 30 20 IKED CCN(C(=O)Cc1ccccc1CC#N)[C@H](c1cccnc1)c1csc2ccccc12 776913213 HNVVWDYBGNQFKA-AREMUKBSSA-N 425.557 5.543 30 20 IKED COc1ccc(-c2nc(SCc3ccc(Br)cc3C)nc(O)c2C#N)cc1 777914012 VBCDKRJPKTVCOE-UHFFFAOYSA-N 442.338 5.093 30 20 IKED C[C@@H](OC(=O)c1occc1COc1cccc(C#N)c1)c1nnc(-c2cccc(Cl)c2)o1 783387933 FKGQIAAQSUQUJV-CQSZACIVSA-N 449.850 5.352 30 20 IKED CC(C)Oc1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1Cl 783404861 XQAPPVUXCPAUEJ-NRFANRHFSA-N 447.922 5.360 30 20 IKED C=CC1CCN(C(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)CC1 783979840 YQZFZPJWXUKSDL-UHFFFAOYSA-N 427.570 5.119 30 20 IKED Cc1cc(Br)cc(NC(=O)c2cccc(CC#N)c2)c1NC(=O)OC(C)(C)C 784690817 XUKZHOHOQPPCFR-UHFFFAOYSA-N 444.329 5.423 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2cccc(Oc3ccncc3)c2)cc1 784807383 UUQGQTVXSQBAFH-VWLOTQADSA-N 448.482 5.107 30 20 IKED C=CCN(C(=O)c1nc(Cl)cs1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 790677324 SJFDWEQGLOLMII-UHFFFAOYSA-N 430.769 6.060 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)c1 790737318 XVVOADDJGLCHCP-GOSISDBHSA-N 440.956 5.144 30 20 IKED N#C[C@@H](C(=O)CCOCC(F)(F)C(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1 791773457 LSKCOXXHGZIOAZ-LBPRGKRZSA-N 438.805 5.244 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2cccc3cccnc23)cc1 796790583 SFTAYRLZRQYAMW-RUZDIDTESA-N 447.538 5.988 30 20 IKED C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)Nc1ccc(OC(F)(F)F)c(C#N)c1 799739412 XDODEVFFNACGEV-LLVKDONJSA-N 431.336 5.305 30 20 IKED O=C([C@H](F)c1ccc(C(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 801666149 NVXBBGKUFNQUGW-GRYCIOLGSA-N 425.266 5.305 30 20 IKED C#C[C@H](NC(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1)c1ccc(Cl)cc1 810178788 WBHVHDNJJDVVIH-NRFANRHFSA-N 435.886 5.156 30 20 IKED N#Cc1csc(/C=C(\Cl)c2nc(O)c3c(-c4ccccc4Cl)csc3n2)n1 811687476 GJZMFJIJBCLCFV-ACAGNQJTSA-N 431.329 5.782 30 20 IKED N#Cc1ccc(Nc2cccc(-c3nc([C@H]4CCC(=O)N(CC5CCCC5)C4)no3)c2)cc1 856568111 HMHQVLVIKIVICB-NRFANRHFSA-N 441.535 5.248 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(-n2cccn2)cc1 874045284 RKOVEQAMSNFNHP-UHFFFAOYSA-N 445.935 5.155 30 20 IKED Cc1cc(-c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)nn1-c1cccc(C#N)c1 904510843 PLONFEWFOWANBT-UHFFFAOYSA-N 438.422 5.096 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccc(OC)cc2)c(C)s1 916905583 DYAQBFVYPPORER-JOCHJYFZSA-N 446.572 5.818 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc(Cc2ccccc2)nc1C 916907256 LQQSKTIAHMZIMW-FQEVSTJZSA-N 431.561 5.128 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CC[C@@H]2c2ccccc2)c1=S 917446553 YKFPPUNUOGJSKO-HXUWFJFHSA-N 426.973 5.237 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 918583181 GFQQIEOTDBXWJE-SANMLTNESA-N 448.478 5.452 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 920101599 GBZJGSXWKRPKFP-QGZVFWFLSA-N 433.920 5.767 30 20 IKED CCOc1cc(/C=C2/Cc3c(F)cccc3C2=O)ccc1OCC(=O)N(C(C)C)C(C)C 921266676 QOSGQCOTDAVDCC-UNOMPAQXSA-N 439.527 5.071 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)c(F)cc4F)CCC3)cc2)C1 1785808180 WYQHDKVCHOJFPJ-UHFFFAOYSA-N 430.882 5.332 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)Sc4cccs4)CCC3)cc2)C1 1785808526 IQPAOKFENQFERJ-MRXNPFEDSA-N 426.607 5.329 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CNc4ccccc43)CCC2)cc1 1785842137 PLEQJWDMLLBZNX-QFIPXVFZSA-N 431.580 5.322 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@@H]4C4CC4)cc3)CCC2)c1Cl 1786056682 VYEVQZFVXOEIAZ-RTWAWAEBSA-N 433.939 5.005 30 20 IKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccoc3C(F)(F)F)CCC2)cc1 1786392174 YIYIVBOMNWZEDN-MRXNPFEDSA-N 440.487 5.001 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3c(C(F)(F)F)coc3C)cc2)CCC1 1788789510 CYEKJCGSXYBDGI-UHFFFAOYSA-N 432.442 5.158 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4c3OCCO4)CCC2)cc1 1789626379 LMIXNGYYIMIXSH-UHFFFAOYSA-N 448.563 5.198 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5cc[nH]c45)CCC3)cc2)cc1 1790707637 NNXSMMITDKTMPB-UHFFFAOYSA-N 448.526 5.295 30 20 IKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)o4)CCC3)cc2)c1 1790763920 OJAGXNXPBQOWGY-UHFFFAOYSA-N 437.858 5.005 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3c(F)cc(Cl)cc3Cl)CCC2)cc1 1792268621 UAOODTMURGJOQU-UHFFFAOYSA-N 433.310 5.294 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)C[C@H](C)c2ccccc2)[C@@H]1c1cccnc1 1812729037 QLXIZWSADQCLJX-BBVXACFBSA-N 445.607 5.050 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccsc2)[nH]n1 1814442150 MOGXLXCHSIZXNV-LJQANCHMSA-N 428.602 5.089 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(F)ccc3[nH]2)n[nH]1 1818992438 HVXJHDKWEXBCER-GCJKJVERSA-N 449.530 5.104 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2C(C)(C)C)[nH]n1 1819304547 FCVNLLQXHMUMLS-WIYYLYMNSA-N 449.599 5.177 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)[nH]n1 1821922389 IQMQWBXLBKFLJE-SMDDNHRTSA-N 441.384 5.296 30 20 IKED Cc1ccc(-c2ccccc2C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](C)S)n[nH]2)cc1 1822384360 RRROKUYSCLXUKU-VGOFRKELSA-N 448.592 5.009 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cc3cccc(F)c3)cc2)n[nH]1 1823322075 VJJBUNGLUJIALA-HSZRJFAPSA-N 446.526 5.022 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](CCC)n2cccc2)CC1 1824141669 ZITGGMOVOYGYKS-RPBOFIJWSA-N 439.644 5.217 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CSC2CCCC2)CC1 1824475362 UDDXGJVTUWEBQW-JOCHJYFZSA-N 434.690 5.274 30 20 IKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 1826690728 FCXGRAPRCQNUCV-LJQANCHMSA-N 444.000 5.092 30 20 IKED CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC#N)CC1)c1ccc(Cl)cc1 1826693363 PLYKHMAYDZHINB-LADGPHEKSA-N 444.019 5.003 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)CC1 1828606667 MUKQKROCWHVBTQ-UWJYYQICSA-N 442.600 5.486 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cnccc3c2)CC1 1828828577 MGNRMGCFVUDWHX-CLJLJLNGSA-N 445.607 5.237 30 20 IKED COc1ccc(OCc2nnc(SCCCC#N)n2-c2ccc(C)c(Cl)c2)cc1 9456524 AIGAUZIQNUCOPI-UHFFFAOYSA-N 428.945 5.213 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cccc(Cl)c1)=C(/S)Nc1cccc(Cl)c1 10830324 RRRSXMIUCDEFBB-UHFFFAOYSA-O 430.380 5.894 30 20 IKED COc1cc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc([N+](=O)[O-])c1O 16408405 WSCZTCCOCUFHEG-WJDWOHSUSA-N 432.457 5.342 30 20 IKED C=CCn1c(C)cc(C(=O)CSc2nnc(-c3cccc(Br)c3)o2)c1C 21323114 CXIGMZRTQNOEDQ-UHFFFAOYSA-N 432.343 5.078 30 20 IKED Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 32289343 WROOGVYRQLNVAP-UHFFFAOYSA-N 436.515 5.251 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(CCCC)no2)nnc1-c1ccc(Br)cc1 97120482 VOCXUSRKRSZPCT-ZDUSSCGKSA-N 448.390 5.473 30 20 IKED C=CCn1c(S[C@H](C)c2nc(C3CC3)no2)nc2scc(-c3ccccc3)c2c1=O 108171004 PAWLNVBCDMVIGV-CYBMUJFWSA-N 436.562 5.425 30 20 IKED C=CCn1c(SCC(=O)N(Cc2ccc(C)cc2)C2CC2)nnc1-c1cccc(C)c1 195678435 UPRXFRRAGJRYNR-UHFFFAOYSA-N 432.593 5.031 30 20 IKED COc1cc(C(=O)/C=C\c2cccc(OCc3cccc(C#N)c3)c2)cc(OC)c1OC 206946941 RHZZBKCRLJKUMG-KHPPLWFESA-N 429.472 5.059 30 20 IKED CC(C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1 254849713 SJSZQPZVWZZHQE-SFHVURJKSA-N 433.936 5.095 30 20 IKED C=CCn1c(SCCCC(=O)c2ccc(Br)cc2)nnc1-c1ccncc1 255929412 CAPCULYHPPNOKH-UHFFFAOYSA-N 443.370 5.044 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C3(c4ccccc4Cl)CCOCC3)c2)cc1 409928744 AZWZZYCGWMTLEP-UHFFFAOYSA-N 432.907 5.691 30 20 IKED Cc1nc([C@H]2CCCOC2)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 429684592 UJURKSJRGJXZOB-HOCLYGCPSA-N 443.981 5.613 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3c(-c4ccncc4)nc4ccccn34)cc2)cc1 430665207 QNXZQPNLQBCGFX-UHFFFAOYSA-N 445.482 5.507 30 20 IKED C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N[C@@H](CCCC#N)c1ccccc1 431287457 MADHIKOFMNKWNQ-QRWLVFNGSA-N 432.337 5.254 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3ccc(OCc4cccnc4)c(Cl)c3)on2)c1 436455944 JISPPGMREGNBLC-UHFFFAOYSA-N 430.851 5.093 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](c1ccccc1)C(C)(C)CO 437371887 JEIZKWHEJRKSLA-DEOSSOPVSA-N 443.547 5.583 30 20 IKED N#CCCn1ncc(C(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)c1-c1ccccc1 437527646 SLBMFAWASAJJCG-KESTWPANSA-N 438.453 5.159 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCOC[C@H]2c2ccccc2)cc1Cl 437774865 MZGJAERZUUIXHM-UPVQGACJSA-N 431.923 5.601 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 438015402 SFDCHBZIIHLEFI-UHFFFAOYSA-N 426.398 5.428 30 20 IKED N#Cc1ccc(F)c(CNC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)c1 438178859 QGGWEGAIJNKBOU-UHFFFAOYSA-N 430.361 5.225 30 20 IKED Cc1c(CSC(C)C)cccc1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 438445101 BJUMBJNJKYYMJP-UHFFFAOYSA-N 426.561 5.002 30 20 IKED CCCc1c(NC(=O)N2CCC[C@H]2c2ccc(OC)cc2)cnn1-c1cccc(C#N)c1 439664663 PGIBMZRNWOQBNR-QHCPKHFHSA-N 429.524 5.074 30 20 IKED COc1ccc2c(c1)CCN(C(=O)c1ccccc1SCc1ccc(C#N)cc1)CC2 440041795 HHWBFWGHQLJNFN-UHFFFAOYSA-N 428.557 5.100 30 20 IKED CCCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@H](C)c1ccccc1Br 441228483 NMQYGCSGRKAPMZ-OAHLLOKOSA-N 425.330 5.344 30 20 IKED C=CCC[C@@H](NC(=O)c1cc2c(nc1O)CC(C)(C)CC2=O)c1ccc(C(F)(F)F)cc1 441548430 ZHRCORBIIVZRSI-GOSISDBHSA-N 446.469 5.398 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 441652569 QCEGAKCFESJPID-CYBMUJFWSA-N 447.507 5.114 30 20 IKED CC(C)CC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1F 442692295 ZSBPRAADCAWWFJ-CQSZACIVSA-N 428.414 5.045 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)cc2)c1 444000964 AQXPXSZWDXKARU-UHFFFAOYSA-N 431.451 5.598 30 20 IKED CN(Cc1ccc(F)cc1F)C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444009286 BSDQTFCEBCPHTB-MRXNPFEDSA-N 440.334 5.819 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCCC(C#N)(c1ccccc1)c1ccccc1 444689594 ONOPLEARVBKDTA-SFHVURJKSA-N 440.513 5.613 30 20 IKED C=C(C)Cn1c(SCC(=O)N(C)[C@H](c2ccc(F)cc2)C(C)C)nnc1-c1ccco1 447865879 MXNPZFQJWAPROZ-NRFANRHFSA-N 442.560 5.201 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 460567546 YGKPJEBSKWITNK-MLNNCEHLSA-N 426.630 5.210 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)COc1ccc(C#N)cc1 460676413 ZRWBDODWQHVIBQ-UHFFFAOYSA-N 442.494 5.621 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@](CO)(Cc4ccccc4)C3)cc2)c1 463735502 FNPGQTYDWFZBEZ-MHZLTWQESA-N 441.531 5.200 30 20 IKED Cc1cccc([C@H]2CCCCCN2C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 470531098 JSSXBPPMXJMYMC-XMMPIXPASA-N 444.579 5.727 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)NC3(c4ccccc4)CCCCC3)ccc21 470561802 BQOMWPJAOKAODC-UHFFFAOYSA-N 430.552 5.251 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)nnc1-c1ccco1 471249272 GWOBOUJRMZERIJ-LLVKDONJSA-N 448.335 5.934 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@H](c3cccc(Cl)c3)c3ccccn3)cc2)nc1 472271456 BJWCZWOIGZYFLN-XMMPIXPASA-N 440.890 5.313 30 20 IKED N#CCCSc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 480182469 URZIXJKPXUNBCI-DHIUTWEWSA-N 428.557 6.014 30 20 IKED CC(C)c1c(NC(=O)CCCC(=O)Nc2ccccc2C#N)cnn1-c1ccccc1Cl 482706643 LMRAICDTWKTKCS-UHFFFAOYSA-N 449.942 5.268 30 20 IKED Cc1ccc(Sc2ccc(C(=O)[C@@H](C#N)c3cnc4ccccc4n3)cc2[N+](=O)[O-])cc1 483208338 XVDMXEBLAMAPLV-SFHVURJKSA-N 440.484 5.488 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1 483329120 CSIXKHQXSNLSGV-GUXCAODWSA-N 447.526 6.715 30 20 IKED COc1ccc(CN(C(=O)C[C@@H](CC#N)c2ccccc2)c2ccc3nc(C)[nH]c3c2)cc1 483519451 MPEJAKNEGYCPOW-JOCHJYFZSA-N 438.531 5.501 30 20 IKED Cc1cccc2[nH]cc(CCNC(=O)c3ccccc3SCc3ccc(C#N)cc3)c12 487441836 FWIWXFXNAJITJS-UHFFFAOYSA-N 425.557 5.613 30 20 IKED C=CC[C@@H](C(=O)Nc1ccc2c(c1)N(C(=O)Cc1cccc(OC)c1)CC2)c1ccccc1 488310762 HVJCJBNTOJVKRS-RUZDIDTESA-N 440.543 5.125 30 20 IKED C=C(C)Cn1c(SCCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccncc1 489422887 FXGWMCVYZFCIOW-UHFFFAOYSA-N 447.486 5.056 30 20 IKED C=C(C)Cn1c(S[C@H](C)C(=O)c2ccc(Br)cc2)nnc1-c1ccncc1 489434100 WDTOYCMWUACDDJ-CQSZACIVSA-N 443.370 5.042 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)Nc1cccc(Cl)c1C 489664821 ZHFXYUHHMYNHON-MRXNPFEDSA-N 442.972 5.124 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3nnc(-c4cc(C)c(CC)s4)o3)o2)cc1 489801364 ZMYLVFSUPRENHZ-UHFFFAOYSA-N 440.550 5.576 30 20 IKED CC[C@@H](CSC)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 496333804 UBRWJLKAJUUMHZ-AWEZNQCLSA-N 442.532 5.230 30 20 IKED C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 498945826 BTZQZVCAAKFRHG-AWEZNQCLSA-N 439.393 5.643 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCC(=O)Nc2ccccc2)cc1Cl 502318719 NVTCCLJXBXNFLU-NRFANRHFSA-N 432.911 5.146 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c2)cc1 503560600 BHSFOZAZJYUWDP-LJQANCHMSA-N 428.398 5.585 30 20 IKED CCSc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 505752688 INZPLJHKQGEAHU-UHFFFAOYSA-N 447.585 5.653 30 20 IKED C[C@@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(NC(=O)c2ccncc2)cc1 506723079 CWVQQMVWYYQOEC-QGZVFWFLSA-N 427.508 5.018 30 20 IKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc(-c3ccco3)nc21 509541839 NJJVKYWFCRLYLG-OAHLLOKOSA-N 427.489 5.372 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)CSc1nc(C)c(C)c(C)c1C#N 509618143 MPURUAWQEQWUIS-MRXNPFEDSA-N 436.606 5.280 30 20 IKED CCN(CC)CC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 510059777 WAULPAUTAQTYKH-QHCPKHFHSA-N 439.003 5.581 30 20 IKED N#C[C@H](C(=O)c1ccccc1Oc1cccc(Br)c1)c1nc2ccccc2o1 510586794 BRJFAGRTCPTIRD-QGZVFWFLSA-N 433.261 5.873 30 20 IKED CC(C)Cc1ccc([C@@H](C)NC(=O)CNc2ccccc2Oc2ncccc2C#N)cc1 511083755 WFVAFXSAYNZMCV-LJQANCHMSA-N 428.536 5.233 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 511585874 OGXOEOZYPSHMBB-LLVKDONJSA-N 440.281 5.346 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1 512964482 QPFLSIXKLHXDNZ-LJQANCHMSA-N 440.459 5.498 30 20 IKED CN(C(=O)CCc1ccc(C#N)cc1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 513376392 HPCZUCBFXNAFNL-UHFFFAOYSA-N 425.410 5.360 30 20 IKED C[C@H]1CCCCN1CCCCNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 514108140 VVPMXCYOXADQQD-NRFANRHFSA-N 436.575 5.064 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1cc(C)n(CC)c1C 514586734 DECLWYBYYJZETG-UHFFFAOYSA-N 444.988 5.110 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc3ncccc3c2)nnc1-c1ccc(Cl)cc1 514830200 UPRHMFVKOMVDET-UHFFFAOYSA-N 435.940 5.064 30 20 IKED C[C@H](Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cn1)c1ccccc1 515542512 XZOAAEVTOXTNBJ-UWJYYQICSA-N 425.513 5.835 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)cc1 515649800 ZRIOJLHUTDCWDO-VWLOTQADSA-N 442.515 5.142 30 20 IKED C[C@@H](c1ccc2ccccc2c1)N(C(=O)CCC(=O)N(CCC#N)c1ccccc1)C1CC1 518303353 OHFJWUVTQWPPHV-NRFANRHFSA-N 439.559 5.619 30 20 IKED CC(C)c1ccc(OC2CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)cc1 518683202 MBPIMWARZCGZCG-IBGZPJMESA-N 437.609 6.137 30 20 IKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 519914297 RQZFIBBJPBIFHY-UHFFFAOYSA-N 440.547 5.809 30 20 IKED CC(C)Oc1cc(Br)ccc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 520835452 NHHFQFGMAAZOOD-AWEZNQCLSA-N 433.371 5.740 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c12 520835600 QNQIANQGMBXNRC-OAHLLOKOSA-N 446.532 5.939 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1NC(=O)c1ccccc1 521725505 DWEFESBMENMDTM-KRWDZBQOSA-N 429.545 5.751 30 20 IKED Cc1noc(CSc2ccccc2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)n1 524711902 RDZFSSQAJUTRSI-UHFFFAOYSA-N 442.500 5.587 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)[C@H]2COc3ccccc32)cc1 533630356 LYEVCHNCOOFZQJ-IIBYNOLFSA-N 429.476 5.045 30 20 IKED C=CCn1c(SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)nnc1-c1ccccc1C 536337562 UWNDFXMLBOZTJZ-UHFFFAOYSA-N 433.493 5.295 30 20 IKED C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccc(-c2ccc(F)cc2)cc1 537714776 DKIYUYKOYLRPOK-GOSISDBHSA-N 429.495 5.351 30 20 IKED C[C@H](NC(=O)N[C@H](c1ccccc1)c1cccnc1)c1ccc(-c2cccc(C#N)c2)cc1 541157736 OPMFGTIHVMVKOC-CCLHPLFOSA-N 432.527 5.770 30 20 IKED Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1cc(Cl)ccc1Cl 543282478 BGBKRXZUFAPZSJ-NRFANRHFSA-N 438.314 5.018 30 20 IKED COc1cccc(C2CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)CC2)c1 548077703 LJDWMGSXZSYIML-UHFFFAOYSA-N 432.549 5.026 30 20 IKED Cc1ccc2nc(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cn2c1 551013142 RWWBCFINXCVDTJ-NRFANRHFSA-N 429.911 5.273 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(C)s2)nc2scc(-c3ccccc3)c2c1=O 551392102 BDBYRWXEBXZHTO-GFCCVEGCSA-N 426.592 5.324 30 20 IKED N#CCCC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1 551831082 PSEFYFUDNRAXAM-QHCPKHFHSA-N 447.922 5.622 30 20 IKED CC(C)c1nc(C2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)no1 552610169 HZSFHLHWDDZIDB-UHFFFAOYSA-N 432.549 5.236 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1 553371127 BGMXRBBPPRCWBB-DSITVLBTSA-N 440.568 5.354 30 20 IKED CC(C)Oc1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1Cl 562075676 WZMOUCLLHBQMAG-UHFFFAOYSA-N 431.895 5.213 30 20 IKED COc1cccc([C@@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)c1 571698744 JESBALWDUPHSCB-VWLOTQADSA-N 435.531 5.215 30 20 IKED N#Cc1cc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)nc2ccccc12 574792998 OXIKQJZYIKOGSJ-UHFFFAOYSA-N 437.286 5.640 30 20 IKED Cc1c(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)sc2ccc(C#N)cc12 589981161 RTARNFHOZYCGPS-VXGBXAGGSA-N 434.405 5.721 30 20 IKED Cc1nc(C(=O)N2C[C@@H](c3ccccc3Cl)c3c([nH]c4ccccc34)[C@@H]2C)ccc1C#N 603568369 LEHVKIUTWOACBI-JXFKEZNVSA-N 440.934 5.745 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)cc1 603757650 RZBMWLTUZCKZBW-UHFFFAOYSA-N 425.529 5.088 30 20 IKED COc1ccccc1Nc1nc2sc(C(=O)N(C)Cc3cccc(C#N)c3)cc2s1 603872021 OXBSAOIEOYGMHU-UHFFFAOYSA-N 434.546 5.254 30 20 IKED N#Cc1cc(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1Cl 603971001 GSLWBMDDVMOHHE-LJQANCHMSA-N 442.327 5.321 30 20 IKED N#CCc1ccc(OCc2cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c2)cc1 603980765 GQULJRZDOARSEF-UHFFFAOYSA-N 446.450 5.151 30 20 IKED COc1cccc(NCc2nnc(S[C@@H](C#N)Cc3ccccc3)n2C2CCCCC2)c1 604436189 GMBLZCIWYAZJNR-HSZRJFAPSA-N 447.608 5.631 30 20 IKED CC(C)c1ccc(OC2CCN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)CC2)cc1 609057551 KOJWANITZBNERU-UHFFFAOYSA-N 444.531 5.537 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2nc(C(F)F)[nH]c2c1 609381695 LGDXDOXKWGYLDS-UHFFFAOYSA-N 440.397 5.777 30 20 IKED Cc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccc(Br)cc2n1 609428450 HJJPYUUPVJASNQ-CQSZACIVSA-N 440.366 5.952 30 20 IKED Cc1ccc(C)c(Oc2ccc(CNC(=O)CCCCOc3cccc(C#N)c3)cn2)c1 609503917 GXYFAGKJZHPVFS-UHFFFAOYSA-N 429.520 5.228 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@H](C#N)c2ccc(F)cc2)cc1 609601830 OZISTMWVKKGECB-XMMPIXPASA-N 427.479 5.296 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(CCc1ccc(Cl)cc1)CC1CC1 609744489 JYIIZUKMQRZXOI-KRWDZBQOSA-N 428.001 6.078 30 20 IKED CN(C(=O)c1cc2ccccc2n1CC#N)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 611452519 ZMGFQOXVSPYSPR-PZJWPPBQSA-N 425.454 5.592 30 20 IKED Cc1cc(Br)ccc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613403150 BSUBHJOWROFXTB-ZDUSSCGKSA-N 439.256 5.876 30 20 IKED Cc1ccccc1-n1ncc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1C 613405004 SFTZZQFCDMSSJQ-OAHLLOKOSA-N 440.450 5.608 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(C[C@H](C)c2ccccc2)o1 615502901 HPZXBFAUBKJJNU-IRXDYDNUSA-N 427.595 5.173 30 20 IKED CC(C)N(Cc1ccc(NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1)C[C@H]1CCCCO1 618765565 KRAKKSGGMFWROS-AOYPEHQESA-N 446.595 5.147 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 618819406 ZLTBXGRZIHZPCG-LJQANCHMSA-N 442.466 5.187 30 20 IKED Cc1sc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1-c1ccc(F)cc1 674799629 LLHJFJNTFAIMOO-KBPBESRZSA-N 425.369 5.675 30 20 IKED O=C(c1ccc(Br)c(Cl)c1F)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 683445613 CGRSQWNBLGISCR-KNVOCYPGSA-N 442.556 5.054 30 20 IKED C[C@H](OC(=O)[C@H](C)c1c(Cl)cccc1Cl)C(=O)N(CCC#N)c1ccc(F)cc1 726027580 AQNMGAQKNGSDGZ-KGLIPLIRSA-N 437.298 5.115 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccccc3Cl)C2)cc1 729036799 ROFFSZSRCKTVGB-LADGPHEKSA-N 431.923 5.601 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)CCCSc2ccc(Br)cc2)cc1 731136429 QKWJLZQBHBPVEN-LJQANCHMSA-N 445.382 5.231 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(Cc2cccc(C)c2)Cc2ccco2)ccc1OC 733656082 HFFMKJCTUBRZJD-JOCHJYFZSA-N 447.535 5.190 30 20 IKED C=CC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 735065136 ACIYHUFIYHIZGL-LLVKDONJSA-N 447.771 5.142 30 20 IKED COc1cccc([C@@H]2C[C@@H]2C(=O)OCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)c1 735141070 FPSJFDYYCMBTPL-ZEQRLZLVSA-N 443.499 5.001 30 20 IKED N#CCOc1ccc(Cl)cc1CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 735230637 NNUDPYNFCJHXCD-HXUWFJFHSA-N 439.968 5.577 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)CCc3c(-c4ccc(F)cc4)[nH]c4ccccc34)[nH]c12 735793528 UYQKYHKZSCANID-OAQYLSRUSA-N 436.490 5.968 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 741447749 OTRJKLVMFFOXNX-WUKNDPDISA-N 434.561 5.102 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)cc1 742040179 FASXFLPFAINRDH-UHFFFAOYSA-N 425.410 5.331 30 20 IKED CC(C)(C)c1ncc(/C=C\C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)s1 742625068 IKYRSYWAYPHXOH-MBWOQUJGSA-N 431.561 5.414 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H](O)c2c(F)cccc2Cl)cc1F 743238501 RHQXHQKVAPWJIC-SFHVURJKSA-N 443.837 5.137 30 20 IKED FC(F)(F)c1cc(NN=C2COc3cc(Cl)cc(Cl)c32)nc(-c2cccnc2)n1 743440476 QBNHMHWCJCIENG-UHFFFAOYSA-N 440.212 5.073 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 744025213 IVWJGOKMPIPQSN-QGZVFWFLSA-N 428.797 5.385 30 20 IKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2csc(-c3ccccc3)n2)cc1 744806960 DURQHFJNGWMMDF-UHFFFAOYSA-N 435.578 5.275 30 20 IKED COc1ccc(Cl)cc1C(=O)/C=C\c1csc(N(C(C)=O)c2ccc(F)cc2F)n1 746015307 PXTLDPRRVBEEMY-ALCCZGGFSA-N 448.878 5.664 30 20 IKED C[C@H](c1ccccc1)N(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)Cc1ccccc1 746101808 RXSYZTQCZXSOTB-YKSBVNFPSA-N 432.527 5.487 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c1 746251836 NWGYJBUMYQSRCX-AZGAKELHSA-N 444.506 5.005 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)Cn1nc(C2CC2)n(C2CC2)c1=S 749246150 LFHPPVLBLJIFQL-UHFFFAOYSA-N 437.382 5.174 30 20 IKED CCN(CC)[C@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1 755639464 IWRDQTNVPVNZDJ-KKSFZXQISA-N 425.504 5.348 30 20 IKED Cc1cc(F)cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1[N+](=O)[O-] 758471927 FNHMCLYXSLCBKN-UHFFFAOYSA-N 439.830 5.399 30 20 IKED C/C(=C\c1cccc(Cl)c1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 759208374 XEGBVWAOCJCPOM-UEBLJOKOSA-N 430.891 5.883 30 20 IKED COc1ccc(C(=O)CCCCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 759356974 ZWLJLLOTRFSPOX-RUZDIDTESA-N 426.516 5.732 30 20 IKED CC(C)(C)OC(=O)N(CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)c1ccccc1 761092058 FLFGGKLWIRPRLX-LJQANCHMSA-N 433.533 5.428 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1sc(-c2ccccc2)nc1C(F)F 761620273 VGPSFXGFBMFTAZ-UHFFFAOYSA-N 447.850 5.068 30 20 IKED CCC[C@H](NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)c1cccc(C(F)(F)F)c1 761688176 TYOBYEYAJGSZMM-LEWJYISDSA-N 431.458 5.201 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC(O)(c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 768402718 GMFFGIKMQJSSJV-OAQYLSRUSA-N 432.486 5.406 30 20 IKED Cc1csc(SCc2c(C(=O)Nc3ccc(C#N)cc3Cl)oc3ccccc23)n1 769727585 BTQBWOSNSSGQJI-UHFFFAOYSA-N 439.949 6.267 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)cc1 769945931 MAEWXFUIVIXVQN-BXKMTCNYSA-N 439.515 5.158 30 20 IKED Cn1c(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nc2cccc(Cl)c21 775486488 BTZYDPSIXXYUTH-IBGZPJMESA-N 429.911 5.204 30 20 IKED Cc1ccc([C@@H](N[C@H](C)c2ccc(OCC#N)cc2)c2cccc(S(C)(=O)=O)c2)c(C)c1 776164503 IVPUOHUZFDOGFF-IBVKSMDESA-N 448.588 5.050 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H](c2ccc(F)cc2)c2ccccc2Cl)ccc1OC 779103569 ZSJSESPKMJRKCM-NLFFAJNJSA-N 438.930 6.048 30 20 IKED N#Cc1ccc(CNC(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)nc1 780639209 BGQXJWXVPZEKDC-UHFFFAOYSA-N 439.338 5.189 30 20 IKED CC(C)c1nc(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c2ccccc2n1 783453453 SSTOSZGXRSHVHB-GOSISDBHSA-N 444.585 5.845 30 20 IKED CCCc1c(NC(=S)Nc2ccc(OC)c(Cl)c2)cnn1-c1cccc(C#N)c1 783954731 ZZQDLMICZKJCBY-UHFFFAOYSA-N 425.945 5.167 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N(Cc1ccco1)c1ccccc1C#N 790785396 MFRTVXIWKJKZNJ-UHFFFAOYSA-N 445.519 5.664 30 20 IKED N#Cc1cccc(-n2ccc(C(=O)Nc3ccccc3SC[C@H]3CC3(Cl)Cl)n2)c1 798400837 PZRRAAPDOGGXAX-OAHLLOKOSA-N 443.359 5.282 30 20 IKED C#C[C@@H](NC(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl)c1ccc(Cl)cc1F 806260195 ITNBBWDABLZFRO-GOSISDBHSA-N 436.314 5.109 30 20 IKED Cc1cc(CNC(=O)OC(C)(C)C)ccc1N(C(=O)c1cc(C#N)ccc1Cl)C1CC1 808438522 GLMPAIMAVBKDNE-UHFFFAOYSA-N 439.943 5.354 30 20 IKED N#Cc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1Br 808871350 ITVHJGPTRZCANT-UHFFFAOYSA-N 429.277 5.183 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)C2CCN(c3noc4ccc(Cl)cc34)CC2)n1 815971012 QBOQNHGFTPQFNX-INIZCTEOSA-N 428.945 5.154 30 20 IKED N#CCSc1ccccc1C(=O)NCCCN1c2ccccc2Sc2ccccc21 915196444 WQUPKKICTXJQJL-UHFFFAOYSA-N 431.586 5.725 30 20 IKED COc1ccc2cc(C=Nn3cnc4sc(C)c(-c5ccccc5)c4c3=O)ccc2c1 916284214 QXRBOICHLSOAEQ-UHFFFAOYSA-N 425.513 5.477 30 20 IKED Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916846746 DIDKMPQXENGYBI-YJBOKZPZSA-N 449.576 5.351 30 20 IKED N#C[C@@H](C(=O)NCc1ccccc1)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 916887621 QTQUWSIREWBEAF-JOCHJYFZSA-N 434.948 5.271 30 20 IKED C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916932486 WOAPDRNBZTUXQK-CABZTGNLSA-N 446.117 5.415 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2sc(C)nc2-c2ccc(C)cc2)cc1 916948117 SCGWDUQMITUJQQ-JTSKRJEESA-N 445.588 5.831 30 20 IKED N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccc(Cl)cc1)[n+]1ccc2c(c1)CCCC2 917614073 XYJILULSDGHRDY-UHFFFAOYSA-O 446.983 5.701 30 20 IKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2)s1 917675175 FZIJKVGYYPVHMC-HXUWFJFHSA-N 435.574 5.217 30 20 IKED Cc1cccc(OCCCCC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1 920106372 OTWPFCRUBGLMOB-SFHVURJKSA-N 435.549 5.010 30 20 IKED N#Cc1ccc(CN(Cc2cscc2Br)c2ccc3nc(O)[nH]c3c2)cc1 1459700180 KBXIKVCXQUCGHN-UHFFFAOYSA-N 439.338 5.171 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccccc4)nc3)CCC2)cc1 1785937016 LEUBGMYNBZWUQF-UHFFFAOYSA-N 438.531 5.046 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccccc4n3)CCC2)cc1 1786103164 KUAUYCMYJDBXGG-UHFFFAOYSA-N 440.547 5.146 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C(F)(F)F)c(F)c1)C2 1798591965 VPUZOQTVWORJIL-BJWYYQGGSA-N 440.481 5.089 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1csc(-c3ccccc3)n1)C2 1798593178 ZCQQNWRYDCXDGX-ACDBMABISA-N 437.609 5.054 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)ccc2C)[C@H]1c1cccnc1 1802502987 OVJXZBKXWGALMN-VWNXMTODSA-N 433.596 5.010 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(C)c4ccccc4n3)CC2)C1 1805457139 UAZAREIVHUERSZ-UHFFFAOYSA-N 445.607 5.156 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C[C@@H](C)c2ccccc2)[C@@H]1c1cccnc1 1810503089 NEOUGRPIOTZUGE-LJGDZFJRSA-N 447.623 5.274 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccnc(C(C)(C)C)c2)[nH]n1 1819303780 OZFZQNKEXBDSHO-CTNGQTDRSA-N 449.599 5.177 30 20 IKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC(C)(C)C)[nH]n1)c1ccccc1 1819518457 QZGJVYNXVOBKMH-IFMALSPDSA-N 434.584 5.035 30 20 IKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)C(C)C)[nH]n1 1822576836 UMDICYIXQIVYKQ-WIOPSUGQSA-N 434.584 5.035 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCCCC2(F)F)CC1 1823751219 MMSMJURZQLUHJM-NHCUHLMSSA-N 438.603 5.424 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ncccc23)CC1 1828027467 DSDJAFLJEUPEQO-BKMJKUGQSA-N 445.607 5.237 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)CC1 1829701027 DGRXSSFIVOTYLZ-JTSKRJEESA-N 442.987 5.532 30 20 IKED COc1ccc(-n2c(S[C@@H](C)C#N)nnc2-c2ccc(Br)cc2)cc1Cl 8761233 MVMWRNVVAPFTSJ-NSHDSACASA-N 449.761 5.363 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(C(C)C)cc1)[n+]1cccc(CO)c1 10174358 OSHYESIHGHDUJB-UHFFFAOYSA-O 433.597 5.203 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)c(Cl)c1)[n+]1ccccc1 14871897 KXZXTGQIGRSHCQ-UHFFFAOYSA-O 430.380 5.894 30 20 IKED C=CCn1c(S[C@@H](C(=O)N(C)C)c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 17710991 OOFQQYTVGJZSDM-OAQYLSRUSA-N 434.609 5.350 30 20 IKED C[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 22132921 CBWRGPNURGKIKX-CAUNFOBBSA-N 445.592 5.036 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccccc2)cc1[N+](=O)[O-] 24033674 JOTJOUJQXHVMRY-UHFFFAOYSA-O 442.520 5.395 30 20 IKED C[C@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1cccc(C(F)(F)F)c1 24893537 WGZDCOKWECVQGJ-NSHDSACASA-N 445.338 5.540 30 20 IKED Cc1cc(-c2cc(C(=O)N(C)Cc3ccc(C#N)cc3)c3cnn(C(C)C)c3n2)c(C)o1 25118249 DICKCCGOUXYPNF-UHFFFAOYSA-N 427.508 5.033 30 20 IKED Cc1cc(-c2cc(C(=O)N[C@H](C)c3ccc(C#N)cc3)c3cnn(C(C)C)c3n2)c(C)o1 26125432 YWHURDUPIZHDSZ-MRXNPFEDSA-N 427.508 5.252 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N(CC)c1cccc2ccccc12 30969449 XOHUDQSXVMVCQL-UHFFFAOYSA-N 442.588 5.353 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1C(=O)/C(O)=N/c1nc(-c2c(F)cccc2F)cs1 31810121 IOSRRNTYRPBPLE-UHFFFAOYSA-N 438.459 5.362 30 20 IKED COc1cc(CN(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1SC 60469542 LCUCNDFLWFVLJX-UHFFFAOYSA-N 448.613 5.853 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1cccc(Cl)c1Cl 97543289 LOGSQTRWGUIOFY-HNNXBMFYSA-N 440.330 5.883 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CCc2nnc(-c3ccsc3)o2)cc1 108373342 PIWXVHGBVOJSOH-UHFFFAOYSA-N 444.516 5.014 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(-c2nc(C3CC3)n[nH]2)cc1 110280716 PJEIUWXHRCXQLK-UHFFFAOYSA-N 437.528 5.624 30 20 IKED CCN(CC)C(=O)Cc1ccc(NCc2cccc(OCc3ccccc3C#N)c2)cc1 237054239 NYXQKUFDVUJPNN-UHFFFAOYSA-N 427.548 5.160 30 20 IKED COc1ccc(CN[C@H](c2ccccc2)c2nc3ccccc3n2C)cc1OCCCC#N 237551881 NCUBWEINBFCGEG-AREMUKBSSA-N 440.547 5.144 30 20 IKED CCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1cccc(C)c1 254696717 ZZUAWELTWPZCLM-LJQANCHMSA-N 445.972 5.027 30 20 IKED N#Cc1cc(NCc2ccc(Cn3cnc4ccccc43)cc2)nc2ccc([N+](=O)[O-])cc12 301417230 RDMLSCVDYGNUND-UHFFFAOYSA-N 434.459 5.025 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cn(Cc2ccccc2)c2ccccc12 303395654 YZDHHTNJWZJINR-IBGZPJMESA-N 425.557 6.336 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 303887672 OONYEOZBSODDEC-HNNXBMFYSA-N 429.973 5.971 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)c1c(F)cccc1F 409531077 VVSLRDVTRHSDGQ-GFCCVEGCSA-N 427.264 5.325 30 20 IKED CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@@H](CCCC#N)c1ccccc1 431462814 CLHGLZNRKSNJSZ-NDXORKPFSA-N 444.373 5.259 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(C(F)(F)F)ccc1Br 431928459 VMQGIEAKURUACD-NSHDSACASA-N 443.288 5.972 30 20 IKED Cc1cc(Sc2ccccc2)ccc1NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 432754240 JYSUXJHNNNZHFZ-IBGZPJMESA-N 430.533 5.098 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CC4(CCC4)[C@H]3c3ccccc3)c2)c1 432919430 WDFTXNIBOVWRFY-XMMPIXPASA-N 436.515 5.570 30 20 IKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)[C@@H](C#N)CCc1ccccc1)CC2 433231626 JIVFVDBIKCYAKM-NLFFAJNJSA-N 446.572 5.012 30 20 IKED CCOc1ccc2c(c1)CCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C2 434212509 ASYYAQFLHUTUSG-UHFFFAOYSA-N 441.531 5.321 30 20 IKED C=CCC[C@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccccc1 435268420 DRYSEWPHHJTNBE-SANMLTNESA-N 426.560 5.516 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 437470337 IXKUSZUAEPCVOZ-UHFFFAOYSA-N 445.450 5.168 30 20 IKED CCC(CC)c1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)on1 438182483 HPLNVBPGIXVQCS-UHFFFAOYSA-N 434.496 5.572 30 20 IKED C[C@@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 439020813 ORUZOZWRZCJSQG-OAHLLOKOSA-N 435.936 5.642 30 20 IKED CCCc1c(NC(=O)c2ccc(CCC(F)(F)F)cc2)cnn1-c1cccc(C#N)c1 440090013 SJTJJRKPYBIMNE-UHFFFAOYSA-N 426.442 5.444 30 20 IKED C=CCC[C@@H](NC(=O)NC1CCN(C(=O)CC(C)C)CC1)c1ccc(C(F)(F)F)cc1 440825798 LQAKYGFTPJPQRA-HXUWFJFHSA-N 439.522 5.049 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)CSc2cccc(C(F)(F)F)c2)c1C#N 445568123 WRBDXSGLSRBQDX-UHFFFAOYSA-N 448.495 5.215 30 20 IKED Cc1cnccc1OC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 446138476 PCCUUZLJNPQDNX-UHFFFAOYSA-N 428.492 5.129 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccccc1C(F)(F)F 446242799 BDUMIHXEEMEKHE-AWEZNQCLSA-N 429.282 6.148 30 20 IKED Cc1nnc(-c2cccc(NC(=O)c3ccccc3Sc3ccccc3C#N)c2)n1C 448190575 QCWFLDIVZHNUJE-UHFFFAOYSA-N 425.517 5.066 30 20 IKED Cc1oc(-c2ccsc2)nc1CC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 460328859 JLFQCJOMBSFZPR-UHFFFAOYSA-N 447.947 6.013 30 20 IKED C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H]1c1cccc(Cl)c1 460556622 SYIRZZMTABQRGU-FQEVSTJZSA-N 446.942 5.165 30 20 IKED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@H]1c1cc(F)cc(Br)c1 460937871 RYIBXOHHVNTNMV-ZOCIIQOWSA-N 449.368 5.195 30 20 IKED N#Cc1ccc(-c2nnc(N3CCC[C@@H]3c3cccc(F)c3)n2Cc2cccs2)cc1 461501763 DVPLMGQHYBSOGJ-JOCHJYFZSA-N 429.524 5.407 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(-c2noc(C3CC3)n2)c1 463105545 NQEYGHKFPHGXLB-UHFFFAOYSA-N 437.459 5.234 30 20 IKED CC(C)(C)Cc1nc(-c2cccc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)c2)no1 464418647 HJDRJMZKLSYZFK-INIZCTEOSA-N 428.414 5.229 30 20 IKED Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 468330806 RYSCKXVMGLHYGH-HXUWFJFHSA-N 432.568 5.321 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CN[C@H](c3ccccc3)C(F)(F)F)cc2)c1 469003259 NKTIPDDYONICGQ-JOCHJYFZSA-N 425.410 5.182 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)ccc21 469064173 RJSIGLLFHUKGMF-SANMLTNESA-N 440.503 5.379 30 20 IKED N#CCCCN1C(=O)CCc2cc(NCc3ccc(Cl)c(Br)c3)ccc21 469164335 XLZIJIXUJWASGJ-UHFFFAOYSA-N 432.749 5.298 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(OCC2CC2)c(F)c1 469441904 AMERLJUWFYKDJQ-MRXNPFEDSA-N 431.467 5.164 30 20 IKED CCN(C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc(C#N)cc1 470973710 BDSGGNCFIHNPPE-UHFFFAOYSA-N 429.307 5.291 30 20 IKED Cc1cc([C@H](NCc2nnc(-c3ccc(C#N)cc3)o2)c2ccccc2Cl)ccc1F 471659397 QLTKTMMIPMQDLR-QHCPKHFHSA-N 432.886 5.588 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 473628426 JISLAKRCJUQTJD-RLWLMLJZSA-N 448.636 5.458 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCSC3(CCOCC3)C2)cc1Cl 473672265 AORPJHHTOJQRHO-FQEVSTJZSA-N 441.984 5.125 30 20 IKED Cc1nn(CC(F)(F)F)cc1C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 474265946 OHGYBHRNSLWOFU-ZDUSSCGKSA-N 447.301 5.196 30 20 IKED CO[C@@H]1CCC[C@H](CC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)C1 474948042 ATXSPEBPCIJYTH-XJKSGUPXSA-N 437.487 5.158 30 20 IKED CCCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@@H](c1cccnc1)c1ccc(F)cc1F 475762933 OMZHGTVAYUDWKZ-FNZWTVRRSA-N 433.502 5.775 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 476118478 CQSLLJOCHJFQDT-QGZVFWFLSA-N 426.944 5.192 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCCC[C@H]3c3nc4ccccc4o3)c2)cc1 480557632 RPEDYIRRPZEHRC-QHCPKHFHSA-N 438.487 6.251 30 20 IKED COC(=O)c1ccc([C@@H](NC(=O)Nc2ccc(F)cc2C(F)(F)F)C(F)(F)F)cc1 480616702 UMCZPYWIGGCOBG-CQSZACIVSA-N 438.299 5.056 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3cccc(O)c3)C2)cc1Cl 483043529 AZRLMIHUZTVAKY-VWNXMTODSA-N 447.922 5.306 30 20 IKED N#C[C@H](C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1nccc2ccccc12 483233182 LGFNYFJBELLLCJ-NRFANRHFSA-N 425.875 5.631 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(Cl)c3Br)CC2)cc1 485210441 LPUYSFQDGQLSTH-UHFFFAOYSA-N 434.721 5.049 30 20 IKED C[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1nc(C(F)(F)F)cs1 486630790 WJQYJCSPQPAQKZ-LBPRGKRZSA-N 433.480 5.676 30 20 IKED CC(C)(C#N)c1ccccc1CSCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 486760286 IDSCUTRUPJFZBY-UHFFFAOYSA-N 442.631 5.448 30 20 IKED Cn1c([C@H](C#N)C(=O)c2ccc(Oc3cccc(Br)c3)cc2)nc2ccccc21 492048201 VBHNEJMRNNUMMS-LJQANCHMSA-N 446.304 5.618 30 20 IKED Cc1cc(-c2cc(C(=O)N(CCC#N)CC(C)(C)C)c3cnn(C(C)C)c3n2)c(C)s1 494413412 ODXXGNRIXBIZOV-UHFFFAOYSA-N 437.613 5.760 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 495681469 APVXEDISQFIBLA-SFHVURJKSA-N 447.560 5.436 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 495713371 QFWSRKNGFPLXPL-CHWSQXEVSA-N 437.311 5.650 30 20 IKED C=CCc1cc(CNCc2ccccc2-c2ccc(CN3CCCC3)cc2)cc(OC)c1O 500274386 AQXTUUBHBVGQQO-UHFFFAOYSA-N 442.603 5.682 30 20 IKED COc1cc([C@@H](C#N)NC(=O)c2ccc(-c3ccc(C)c(C)c3)cc2F)cc(OC)c1OC 500366236 UATABCYLXMSFRM-JOCHJYFZSA-N 448.494 5.130 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(OCc2cscn2)c1 500750117 YUUXEFHKIVOPSI-UHFFFAOYSA-N 441.512 5.947 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cc(Br)ccc3F)c2)cc1 501437304 QCVFTQBLDASMPB-UHFFFAOYSA-N 439.284 5.486 30 20 IKED C[C@@H](NC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1ccc(C#N)cc1 507326944 AYKCBKVFGLLIEF-HXUWFJFHSA-N 435.531 5.030 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1ccccc1-c1ccccc1 508391641 UTZAILWTGOIRDW-UHFFFAOYSA-N 441.512 5.522 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccc(C(F)(F)F)cc3)c2)cc1 509905584 QJIBJGVGHJDRQP-UHFFFAOYSA-N 439.437 5.672 30 20 IKED CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCC(Oc2ccc(C#N)cc2F)CC1 512806132 RATVZZIDYFNICV-UHFFFAOYSA-N 437.559 5.426 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 515284051 QIRKVSWIYPJXBH-UXHICEINSA-N 437.421 5.815 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 517605099 CFQCUIMSHGBGLY-QGZVFWFLSA-N 434.323 5.483 30 20 IKED C=CCCO[C@H](C)C(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCCCC1 519069619 NQYLJLGVOXIEGZ-GOSISDBHSA-N 426.582 5.269 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Cn3c(C(F)(F)F)nc4ccccc43)cc2)cc1 519977490 TYLQPXZAKMMEGV-UHFFFAOYSA-N 436.393 5.358 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 520478005 ZQOAVLARXBGMIZ-UHFFFAOYSA-N 426.520 5.277 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2C[C@H]3CCCN3Cc3ccccc32)cc1 521244030 DNBRZJFSFVRASK-HXUWFJFHSA-N 427.479 5.114 30 20 IKED C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 523048158 DSABDFKBSGWTDC-QGZVFWFLSA-N 447.922 5.032 30 20 IKED CC[C@@](C)(C#N)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(OC)c1OC)CC2 534593771 XTSNUNDICMOUCR-CHUYDZDDSA-N 441.531 5.161 30 20 IKED C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NC1CCC(Oc2ccccc2C#N)CC1 539081048 GFUAUSCWKYIKLA-IVMQYODDSA-N 445.485 5.274 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(C(=O)OC)cc3)n2)nnc1-c1cccc(C)c1 542005645 CDKXNPDGIBIBOL-UHFFFAOYSA-N 446.532 5.173 30 20 IKED COc1cccc2c1CCN(C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)C2 542945506 ROBMVSJUDZLCBJ-QFIPXVFZSA-N 431.923 5.594 30 20 IKED N#Cc1cc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)c(C#N)c3)c2)ccc1Cl 543456657 SNZMUUZSPNTYMZ-UHFFFAOYSA-N 435.270 5.241 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC=C(c3cccc4ccccc34)C2)cc1 543849869 CCSSCZSQDBUUKM-UHFFFAOYSA-N 437.543 5.585 30 20 IKED COCCOc1ccc([C@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC 543961248 QASVISAVALZVAY-UXHICEINSA-N 430.548 5.671 30 20 IKED N#Cc1ccc(OCc2ccc(-c3nc(-c4ccc(Oc5ncccn5)cc4)no3)o2)cc1 547036560 IHMJOKIQIFIACR-UHFFFAOYSA-N 437.415 5.030 30 20 IKED C[C@H](Oc1ccc2ccccc2c1)c1nnc(N2CCC(C#N)CC2)n1Cc1ccccc1 549128253 JJFSPMGURUPYIH-FQEVSTJZSA-N 437.547 5.360 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)NCc1nc2cc(Br)ccc2o1 552306946 PSJWNHDDOCGNRY-UHFFFAOYSA-N 448.276 5.184 30 20 IKED CSCc1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 554422701 ZDBKHWDLOGTPMJ-UHFFFAOYSA-N 431.561 5.516 30 20 IKED CCc1cnc(CNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)o1 554477440 ANPDIOYMOFGYNN-UHFFFAOYSA-N 430.386 5.241 30 20 IKED C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(c2nccs2)CC1 555258035 DPZDMOALLNAUHS-UHFFFAOYSA-N 444.402 5.124 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(-c3ccccc3)on2)cc1Cl 555335221 BXLAMQLXXUZAQT-QFIPXVFZSA-N 442.906 5.972 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H](c2ccccc2)C2(CO)CCC2)cc1OC 560569561 MRNXXYOOEHQHSQ-QFIPXVFZSA-N 446.385 5.016 30 20 IKED C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(Oc2ccc(C(C)C)cc2)CC1 561003513 GTMLVXOASBQVFB-UHFFFAOYSA-N 431.584 5.011 30 20 IKED COc1ccc(Br)cc1-c1nc(CN[C@@H](C)c2ccc(C#N)cc2)cs1 563459505 RIOKUHIMHIYUPF-ZDUSSCGKSA-N 428.355 5.304 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@H]3c3cccc4ccccc34)cc2)ccn1 565449019 JWNYIUQJCLEFMS-SANMLTNESA-N 434.499 6.268 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCCC[C@@H]3c3nnc(C4CCC4)o3)cc2)cc1 572798276 ZXNRCXVSLPDZFP-JOCHJYFZSA-N 443.507 5.760 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3sc(C)c(C)c3C#N)c2)cc1 589286068 QHNLFYMQTJHNHC-UHFFFAOYSA-N 432.545 5.590 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)c1 589805922 TYFJRVXBBTWFMU-OAQYLSRUSA-N 440.952 5.201 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)N(Cc3ccco3)c3ccccc3C#N)s2)cc1 603533299 HLQCJOVOQYNHSC-UHFFFAOYSA-N 429.501 5.439 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(-c4ccc(Cl)cc4)n3)cn2)cc1 603765768 YKTUTZRFYPJDEK-UHFFFAOYSA-N 446.919 5.704 30 20 IKED Cc1cc(O[C@H](C)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)ccc1Cl 603945713 LDCILWAYZFPCDE-CYBMUJFWSA-N 444.969 5.070 30 20 IKED C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccccc1O[C@H](C)c1ccccc1 604674567 AMAILEGJYSIKAN-OAQYLSRUSA-N 428.532 5.022 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[C@@H](C)NC(=O)C1CCCCC1 608936047 OKBMVRBIQYNHEJ-LJQANCHMSA-N 435.543 5.014 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]1CCc1ccccc1 609079200 OLLHZQMTLCFWRC-VWLOTQADSA-N 439.559 6.075 30 20 IKED COc1cccc(-c2c[nH]cc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 609111609 OSLYHNBZPAGILS-UHFFFAOYSA-N 441.462 5.532 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2ccc(Br)cc2)c1 609377312 UHUXTYWDHILYCC-CQSZACIVSA-N 441.354 5.139 30 20 IKED CCCCc1oc2ccccc2c1CN(C)C(=O)C(=O)Nc1ccccc1SCCC#N 609401593 HGFYOWAYANSOHB-UHFFFAOYSA-N 449.576 5.378 30 20 IKED CN(C)CCCOc1cccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1 609507724 LEGXPRILOJQDIG-UHFFFAOYSA-N 433.483 5.072 30 20 IKED CN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[C@@H]1CCCN(c2ccccc2)C1 609648211 NSUKMLWSBMRJCE-XMMPIXPASA-N 425.532 5.286 30 20 IKED N#CCCN(CC1CC1)C(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 609793207 WIIWRUUNTSFNAC-UHFFFAOYSA-N 431.323 5.403 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4cccc(Cl)c4)C3)cn2)cc1 613460953 ISNHRWITMZXISQ-OAQYLSRUSA-N 434.883 5.004 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1cccc(NC(=O)c2ccc(C)cc2)c1 615760198 ILJGUSPNLICADQ-UHFFFAOYSA-N 443.547 5.154 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CC)[C@@H](C)C(C)C)c1 620708543 LXKMWSIGDOOYER-SFHVURJKSA-N 449.016 5.228 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2cc(F)c(Br)c(F)c2)c1C(F)F 678789682 XQMBDULTDCYYBQ-UHFFFAOYSA-N 448.136 5.152 30 20 IKED Fc1ccccc1COc1ccc(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cn1 681400513 PPDCAEBMYXPBIM-IYBDPMFKSA-N 436.371 5.362 30 20 IKED N#Cc1ccccc1/C=C\C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 728848893 VZIPBGONQILORX-QXMHVHEDSA-N 435.405 5.481 30 20 IKED COc1ccc(N(CC(=O)[C@H](C#N)c2nc3ccccc3s2)Cc2cccs2)cc1 728927898 HKZXMGBCKUHDEC-IBGZPJMESA-N 433.558 5.249 30 20 IKED CCCN(CC)C(=O)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc([C@H](C)CC)cc2)cc1 729187352 AOARHQXUQGQFPJ-WZONZLPQSA-N 433.552 5.033 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)cc1 730136516 MNSSLLYNNMOZMV-YADHBBJMSA-N 432.474 5.021 30 20 IKED COc1cc(CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)ccc1OC(C)C 730168709 NZQSDOIOXOTODU-UHFFFAOYSA-N 434.467 5.215 30 20 IKED Cn1c([C@@H](C#N)C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)nc2ccccc21 730685478 IXHYMOGOQPHYRL-ZDUSSCGKSA-N 428.439 5.011 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)/C=C/c1ccc(C(C)(C)C)cc1 731071602 UFSOGERBYDFDRY-GPZRYRNASA-N 436.577 5.431 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 731267873 ILMTWJURMMPYBR-YHYVQYDKSA-N 444.556 5.377 30 20 IKED COc1cc(Cl)c(C2=NNC(=Nc3ccccc3C(F)(F)F)SC2)cc1OC 731496122 BOKUYXIRNMJQOY-UHFFFAOYSA-N 429.851 5.104 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3nc(-c4ccc(F)cc4)ns3)c2)cc1 734326922 ODCOXPBMNQPISB-UHFFFAOYSA-N 430.464 5.047 30 20 IKED COc1cc(COC(=O)Cc2c[nH]c3cc(C)ccc23)ccc1OCc1cccc(C#N)c1 735136537 CZPFQMSVXFPGDP-UHFFFAOYSA-N 440.499 5.222 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 744360318 GYKPOGHZSIUXPO-UHFFFAOYSA-N 445.422 5.650 30 20 IKED COc1ccc(-c2cnc(CCC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)o2)cc1 746416006 KCFUEFQAGWTJHC-IBGZPJMESA-N 429.501 5.283 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccc(Cl)c(Cl)c1 747109722 DCRYRDPBBHBXCD-LRDDRELGSA-N 426.328 5.969 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc(O)c([N+](=O)[O-])c1)C(=O)c1ccccc1 747151095 XWUYBHSNSDPDHJ-QNGOZBTKSA-N 444.487 5.330 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccc(Br)cc3)n2)cc1 749030767 ZLYIIXUMULDYJA-SFHVURJKSA-N 441.350 5.390 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)c2ccc(Cl)c(C#N)c2)cs1 754908348 LWMGXAWWWZRQTR-UHFFFAOYSA-N 439.924 5.327 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc2ccccc2nc1Br 760185249 ALFGVJDPXZXIAN-XLIONFOSSA-N 435.325 5.301 30 20 IKED Cc1nccn1-c1ccc(-c2noc(-c3ccc(Sc4ccccc4C#N)cc3)n2)cn1 761918505 MVGSQRRWUQXPHO-UHFFFAOYSA-N 436.500 5.316 30 20 IKED C#CCOc1ccc(NC(=O)N2CCC[C@H](c3nc(-c4ccccc4OC)cs3)C2)cc1 772283641 ZIECNWONTLHYIZ-SFHVURJKSA-N 447.560 5.242 30 20 IKED C[C@H]1CCCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)[C@@H]1CNC(=O)OC(C)(C)C 775336435 QXEXXFZTPYOIFD-ZIFCJYIRSA-N 446.617 5.095 30 20 IKED COc1ccc2nc(Cl)c(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cc2c1 775481101 OWBMBSJFSVEMIM-UHFFFAOYSA-N 430.851 5.208 30 20 IKED C=C(C)[C@@H](NC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1)c1ccc(F)c(F)c1 776183300 SZTGDBHVSJWJQH-FYYLOGMGSA-N 426.463 5.120 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 780166053 TZBQMHGKNHYMEK-AWEZNQCLSA-N 440.425 5.312 30 20 IKED Cc1cc(C(=O)Nc2ccccc2O[C@@H](C)C#N)c(C)n1-c1ccccc1Br 781033914 DMLPCRCMYQLMEV-HNNXBMFYSA-N 438.325 5.400 30 20 IKED COc1ccc(SCCCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 781448448 QCELJNRNPDUOPJ-MRXNPFEDSA-N 437.348 5.222 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cc(Br)cs2)cs1 782370097 SLWWDXXQIHPGEJ-VMPITWQZSA-N 447.379 5.856 30 20 IKED Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 784477152 SEUWEWHWFYQYCH-UHFFFAOYSA-N 444.560 5.057 30 20 IKED COCCCC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 791751369 PCFZXMCHPNUCTQ-CLJLJLNGSA-N 427.548 6.022 30 20 IKED COc1ccccc1-c1ncc(/C=C2/CCc3nc(-c4ccc(F)cc4)sc3C2=O)cn1 792885929 XZQREBPTPZQFHR-ATVHPVEESA-N 443.503 5.627 30 20 IKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797571313 QIVSCSPRHJGCGS-GOSISDBHSA-N 431.565 5.062 30 20 IKED CC(C)(C)n1ncc2c(O)nc(NN=C3CC[C@H](c4ccc(C(F)(F)F)cc4)C3)nc21 799480345 KDADHVPFAYNXCG-ZDUSSCGKSA-N 432.450 5.041 30 20 IKED N#C[C@H]1C(CN[C@@H](c2c(Cl)cccc2Cl)C2CC2)=CC(=O)n2c1nc1ccccc12 810023302 IHVGJFAXWWIVTO-OYHNWAKOSA-N 437.330 5.271 30 20 IKED C[C@@H](Sc1ccc(Br)cc1)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813211580 MQMLFLLPKKQBCA-QMTHXVAHSA-N 429.261 5.220 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccnc(OC3CCCC3)c2)cc1 915351583 ACSZDYKUJGZSRE-XMMPIXPASA-N 426.520 5.380 30 20 IKED CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=S)Nc2ccccc2C#N)c1 915997871 QMGGEISFADKRFA-GOSISDBHSA-N 428.561 5.477 30 20 IKED N#Cc1ccccc1NC(=S)NCc1ccccc1-c1ccc(CN2CCCC2)cc1 915998191 KUHRRIWNYGFGIF-UHFFFAOYSA-N 426.589 5.308 30 20 IKED CCc1ccc(-c2nn(Cc3ccccc3)cc2C=Nn2c(C)nc3ccccc3c2=O)cc1 916541814 JCQYOASRVZTXKP-UHFFFAOYSA-N 447.542 5.061 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnn(-c3cccc(Cl)c3)c2C)cc1 916915795 PGGNTTWPYVCYSN-NRFANRHFSA-N 434.927 5.138 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1Cc1ccccc1 916927461 KFXKUNUSEQKORL-LJQANCHMSA-N 440.330 5.421 30 20 IKED Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 916931176 JIUKHUALFRTRPX-YOEHRIQHSA-N 433.335 5.540 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2coc3cc(C)c(C(C)C)cc23)cc1Cl 916940461 XRLDWHAHCQGUSK-LJQANCHMSA-N 438.911 5.417 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(-n2ccnc2)cc1 917026877 RGMWQXKHWJFMEW-UHFFFAOYSA-N 445.935 5.155 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\COc3c(F)cc(F)cc3C2=O)cs1 920066792 XWHADNNGBRZMJU-WUXMJOGZSA-N 446.862 5.418 30 20 IKED N#C[C@H](C(=O)CCSc1ccc(Br)cc1)c1nc(-c2ccccc2)cs1 920114054 YFBAYIMZFLYDAO-QGZVFWFLSA-N 443.391 5.931 30 20 IKED C[C@H](OC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)Nc1ccccc1C#N 921223701 LJODBVGASDCLBR-NSHDSACASA-N 446.315 5.173 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)NCC1(c2ccc(C(C)(C)C)cc2)CCCC1 1266446098 IVOKBIXFCOFKLU-UHFFFAOYSA-N 433.596 5.134 30 20 IKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cc4ccccc4o3)cc2)CCC1 1789113969 HMEDIZPFCHYMSR-JKIKYLSZSA-N 444.531 5.171 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ncccc3SCC)cc2)CCC1 1790210306 OXCHPLDNDNJOII-UHFFFAOYSA-N 445.535 5.153 30 20 IKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)C4(C#N)CCC4)cc3)CCC2)c(F)c1 1792233363 HLNBNNSKTROTEJ-UHFFFAOYSA-N 449.526 5.054 30 20 IKED CC1(C)CCC(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(C#N)c2Cl)CC1 1799305048 AHCPDFOBHTZWKB-ACDBMABISA-N 442.003 5.070 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](CCC)n2cccc2)[nH]n1 1819305864 PTYOBEWZOWBMAM-HJNYFJLDSA-N 437.588 5.013 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)sc2Cl)n[nH]1 1819966260 SBMYCPLGYXYPBZ-RISCZKNCSA-N 441.384 5.296 30 20 IKED CCCCC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830633832 UHQCNOANIVCNFL-PXDATVDWSA-N 437.628 5.202 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1831376025 HWWSSQKQNNVXMI-VGSWGCGISA-N 442.003 5.267 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](c2ccccc2)C(C)C)CC1 1831442208 PMUPSRQUEJUZJW-GOTSBHOMSA-N 446.582 5.257 30 20 IKED O=C(/C(=C(/S)Nc1ccc(Cl)c(Cl)c1)[n+]1ccccc1)c1cc(F)ccc1F 22695179 ASRVLIJNYXYKHR-UHFFFAOYSA-O 438.306 5.610 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)CCC2)=C(/S)Nc1cc(C)ccc1C 22729798 HDMGVPGJZKQSDR-UHFFFAOYSA-O 429.609 5.693 30 20 IKED C=CCn1c(SCc2coc(-c3cccc(Cl)c3)n2)nnc1-c1ccc(F)cc1 28964801 NPHBWSPGGZOQCM-UHFFFAOYSA-N 426.904 5.871 30 20 IKED Cc1cc(C)c(C#N)c(SC[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)n1 58013010 XZEVQSKBGYXQKI-OAQYLSRUSA-N 440.515 5.108 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C 62905818 XVXVLINBMHFDEA-UHFFFAOYSA-N 429.568 5.318 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1coc2cc(OC)ccc12 109905105 QJBMFVJZIXNBTH-UHFFFAOYSA-N 432.289 5.100 30 20 IKED N#C[C@@H](C(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1nc(-c2ccncc2)cs1 195662614 SPQNZKSOGKGZFE-FQEVSTJZSA-N 430.533 5.214 30 20 IKED Cc1noc(Cl)c1CCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 216755848 LPIIPNIYCYDWMG-UHFFFAOYSA-N 430.291 5.312 30 20 IKED Cc1c(-c2ccccc2)oc2c(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)cccc2c1=O 301767946 YNLUOBPUWJQANO-HXUWFJFHSA-N 433.467 5.145 30 20 IKED CCOc1ccc2nc(-c3ccc(NCC(=O)Nc4ccc(CC#N)cc4)cc3)sc2c1 302605568 SYLXBDPRMBGJBI-UHFFFAOYSA-N 442.544 5.479 30 20 IKED C=CCn1c(-c2sc(NC(=O)CCCOc3ccccc3Cl)nc2C)n[nH]c1=S 303010705 JIXMAIZYYFRDQH-UHFFFAOYSA-N 449.989 5.010 30 20 IKED CCc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3ccc(O[C@@H](C)C#N)cc3)s2)cc1 303208535 NWGVKYHTJKFAIL-YQNUULROSA-N 438.940 5.381 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(-c4ncon4)cc3)cc2Cl)c1 409921785 KMZJRAKXQSHMEV-UHFFFAOYSA-N 430.851 5.093 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)c3ccc(OC)c(Cl)c3)o2)cc1 428071764 QOTFFNIIBXUYQJ-ZDUSSCGKSA-N 430.913 5.327 30 20 IKED Cc1nc([C@](C)(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)no1 432679598 IVBIBKRNLQEGDL-WMZHIEFXSA-N 435.915 5.134 30 20 IKED N#CCCn1cc(CNc2cccc(C[S@](=O)C3CCCCC3)c2)c(-c2ccncc2)n1 433316043 GNPXPNQXEASKRA-YTTGMZPUSA-N 447.608 5.052 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 433417968 PZZLSXQJPNFQQY-UHFFFAOYSA-N 436.471 5.839 30 20 IKED CC(C)(C#N)CCCC[S@@](=O)Cc1csc(-c2ccc(Br)cc2)n1 436112642 SCNPAPITWMBBRV-XMMPIXPASA-N 425.417 5.541 30 20 IKED Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 437469551 FEXZBZDKFWNOFA-UHFFFAOYSA-N 449.507 5.109 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 438041270 WNHRZIHEUWREBL-GOSISDBHSA-N 435.593 5.850 30 20 IKED CCSCc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 441131897 XOEPQWGWRQLHGR-UHFFFAOYSA-N 431.517 5.181 30 20 IKED C=CCC[C@@H](NC(=O)CCc1c(C)nc(O)c(C#N)c1C)c1ccc(C(F)(F)F)cc1 441580962 KBPCQMLIJAAAJO-HXUWFJFHSA-N 431.458 5.051 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2cccc3ccsc23)cc1Cl 442237417 OHTMYUIUJMOFME-LJQANCHMSA-N 445.931 5.787 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1-c1nc([C@H]2CCOC[C@H]2C)no1 442680619 MIWSKTKZVFLVHI-KDOFPFPSSA-N 438.553 5.215 30 20 IKED CC(C)(C)Cc1nc(-c2cccc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)c2)no1 442848366 ALORMKIBHBAMGP-SFHVURJKSA-N 443.532 5.334 30 20 IKED C[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccc(Br)cc1OCCCO 462967923 RRBKQAPMWDCBBL-ZHRRBRCNSA-N 443.385 5.200 30 20 IKED CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Nc2cc(C#N)ccc2C)cc1 463581221 BYXIRDAFGLQYBX-UHFFFAOYSA-N 436.558 5.064 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1ccc(C2(C#N)CC2)cc1 464230324 GGVBAGRPIKLAOP-UHFFFAOYSA-N 429.907 5.708 30 20 IKED N#CCCCOc1cccnc1NC(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 466602799 VBRMZLUXTZYCTL-LJQANCHMSA-N 426.929 5.390 30 20 IKED N#CCCCN1C(=O)CCc2cc(NCc3ccc(-c4cccc([N+](=O)[O-])c4)o3)ccc21 469181151 PBLDQDDOAXSHSS-UHFFFAOYSA-N 430.464 5.050 30 20 IKED C[C@@H](CC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(C(F)(F)F)c1 469949923 FOIAUJVEDDCVKV-INIZCTEOSA-N 443.469 5.421 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2nnc(-c3ccccc3)s2)cc1 470804454 SWWLZOVEWGIFGB-UHFFFAOYSA-N 427.489 5.191 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)c1cc2nccnc2cc1F 470965849 HXKZRBBJPYTOFO-UHFFFAOYSA-N 449.351 5.694 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cnn1-c1ccc(Br)cc1 474435253 SPOKIWRCRPFMOI-OAHLLOKOSA-N 429.343 5.013 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3-c3cc(F)c(F)c(F)c3)o2)cc1 474733849 YSLANVLAERILRM-UHFFFAOYSA-N 448.400 6.067 30 20 IKED CCN([C@H](c1ccc(Cl)cc1)c1cccnc1)S(=O)(=O)c1cc(C#N)ccc1Cl 476335696 LQJCAZKDSHGRMI-OAQYLSRUSA-N 446.359 5.060 30 20 IKED Cc1ccc(Br)c(OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1F 478825015 IVNGWFMDGSUIJG-ZDUSSCGKSA-N 437.334 5.308 30 20 IKED N#Cc1c(NC(=O)CCN[C@H](c2ccccc2)c2nccs2)sc2c1CCCCC2 479993816 WKJMQFOVNFDFJV-OAQYLSRUSA-N 436.606 5.053 30 20 IKED N#Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cc1C(F)(F)F 480091579 FDACJWLSQHOPLB-UHFFFAOYSA-N 428.741 5.050 30 20 IKED O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 482427506 PVOLOZYHBPCBLE-JTQLQIEISA-N 444.244 5.095 30 20 IKED CC(C)c1c(C(=O)[C@@H](C#N)c2nccc3ccccc23)cnn1-c1ccc(C(F)(F)F)cn1 483225437 FCXRODPAUIYJPP-SFHVURJKSA-N 449.436 5.448 30 20 IKED C=CCSc1ccccc1C(=O)NCc1ccc(Oc2c(OC)cccc2OC)nc1 485741435 DWVAQDQRDIVGBR-UHFFFAOYSA-N 436.533 5.099 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1S[C@H](C(=O)NCc1ccccc1)c1ccccc1 488794285 JLMHSDAZZJBNAJ-IBGZPJMESA-N 427.451 5.122 30 20 IKED C[C@@H](c1ccncc1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 496327339 LJTSKDJEOAYMNS-ZDUSSCGKSA-N 445.470 5.244 30 20 IKED CCc1cccc2c(C(=O)[C@H](Sc3nc(N)c(C#N)cc3C#N)c3ccccc3)c[nH]c12 497418091 PSOFHNPDMWHMBV-HSZRJFAPSA-N 437.528 5.167 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(OC)c(OCC)c1 502679387 LXGNRFXBKCIZSL-UHFFFAOYSA-N 437.309 5.216 30 20 IKED CC(C)(C(=O)NCc1ccc(C#N)cc1)c1csc(-c2c(Cl)cccc2Cl)n1 504790971 ZRGPYSNUXHUDIM-UHFFFAOYSA-N 430.360 5.583 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(OCc3cscn3)c2)c1 505051422 KCXIAPGILHKAGI-UHFFFAOYSA-N 441.512 5.425 30 20 IKED Cc1ccc(-c2csc(Cn3cc(C#N)c(=O)c4cc(Br)ccc43)n2)cc1 505532406 KMIKTHKHJCPNQS-UHFFFAOYSA-N 436.334 5.116 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 506242133 ZOESAQCALQSEPT-JOCHJYFZSA-N 442.588 5.828 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F 506644668 WAIJYAZVDGUXGF-DIFFPNOSSA-N 429.414 5.784 30 20 IKED N#Cc1cc(C(=O)Nc2ccc(Cl)cc2-c2ccccc2Cl)cnc1C(F)(F)F 509083825 MJBVCUJUJXYRKZ-UHFFFAOYSA-N 436.220 6.198 30 20 IKED CC(C)Cn1ccc2cc(NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)ccc21 509927293 OKUBJDLVSXTDRW-UHFFFAOYSA-N 443.551 5.052 30 20 IKED CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 512132477 SHBPNDLUMFECNJ-AVRDEDQJSA-N 449.620 5.245 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)Cc3cccc(Br)c3)c2)cc1 512234613 NJGGNVYGCUAUQK-UHFFFAOYSA-N 435.321 5.275 30 20 IKED Cn1cc(CN[C@H](c2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)c(C(F)(F)F)n1 512610662 DAFODPWZPHDTNF-KRWDZBQOSA-N 431.355 5.476 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2cc(Br)ccc2OCc2ccccc2)n1 513672172 OVTWQAVWJHYQBR-QGZVFWFLSA-N 427.323 5.283 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CSCc2ccc(Br)cc2)cc1 514197289 LOHCHNRUHUAIER-UHFFFAOYSA-N 433.371 5.028 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3Br)cc2Cl)cc1 515713630 KPPSGFPXEVZNRY-UHFFFAOYSA-N 427.685 6.019 30 20 IKED Cc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 516415058 FEIFRESSJAUAFE-WZONZLPQSA-N 445.950 5.462 30 20 IKED C=CCOc1ccc(/C=C/c2nc(-c3cc(Cl)c(OC)c(OC)c3)no2)cc1OC 517628094 AQYSUIXVAPACEY-VQHVLOKHSA-N 428.872 5.151 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)cc1 517733615 BEJMOCJSZRMLOK-ZEQKJWHPSA-N 442.584 5.748 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1 518019961 NZEXGKQGWJBUPP-UHFFFAOYSA-N 448.469 5.107 30 20 IKED Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 519027605 URTSLTMFERHTAH-UHFFFAOYSA-N 439.471 5.787 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N[C@H](CC(F)(F)F)c3ccccc3)c2)cc1 520595565 JNRVWMKCKSRSDB-OAQYLSRUSA-N 425.410 6.166 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H](CN4CCCCCC4)C3)c2)cc1 520601316 NKCUGCSYGJAUSZ-JOCHJYFZSA-N 432.568 5.470 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(N[C@H](C)c2ccccc2)c(Cl)c1 521281207 SSFUINKKRAGNIM-MRXNPFEDSA-N 448.954 5.674 30 20 IKED CCOc1cc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cc(OCC)c1OCC 521602616 JRUBBBFORCAPFK-MRXNPFEDSA-N 437.323 5.184 30 20 IKED C=CCNC(=O)Nc1ccc(NCc2ccc(Oc3cc(OC)cc(OC)c3)cc2)cc1 522283984 TWXDJHVBATWVCK-UHFFFAOYSA-N 433.508 5.416 30 20 IKED CSc1ccc(O[C@@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 524821709 DWTIARZKBSAGAM-SFHVURJKSA-N 432.545 5.460 30 20 IKED C=CCn1c(SCc2ncc(-c3ccccc3F)o2)nc2sc3c(c2c1=O)CCC3 525112611 SYBWHVSHRSCHOD-UHFFFAOYSA-N 439.537 5.219 30 20 IKED CC(C)OC1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 531184050 HYEPVFZQGHQNCN-UHFFFAOYSA-N 427.932 5.212 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2cccc(Cl)c2C#N)cs1 536736626 VWJPUQKBFKLTQH-UHFFFAOYSA-N 427.982 6.262 30 20 IKED C=CCn1c(SCc2nnc(C)n2C2CC2)nc2sc(-c3ccccc3)c(C)c2c1=O 537045879 FGHMBGFCEFYSLG-UHFFFAOYSA-N 449.605 5.147 30 20 IKED C[C@@H](NC(=O)NCc1ccnc(N2CCCCC2)c1)c1ccc(-c2cccc(C#N)c2)cc1 541126928 NWUAAXVZDAZIFH-HXUWFJFHSA-N 439.563 5.171 30 20 IKED N#Cc1ccc(NC(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1C(F)(F)F 542025679 HHDKJKFENNAMNO-QGZVFWFLSA-N 443.347 5.201 30 20 IKED C=C(C)Cn1c(SCc2nc([C@H]3CCCc4ccccc43)no2)nnc1-c1ccco1 545579105 BNJGGVKFEYQUTF-SFHVURJKSA-N 433.537 5.258 30 20 IKED Cc1nc(NC(=O)c2ccc(C#N)c(Cl)c2)sc1-c1nc2ccccc2n1C(F)F 548318342 XBIIMGSKCHSEKB-UHFFFAOYSA-N 443.866 5.641 30 20 IKED CCCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@@H](c1ccc(F)cc1)c1cccnc1 550836729 KDDIHAJJOAFTIK-FQEVSTJZSA-N 442.416 5.148 30 20 IKED CNc1ccc(C#N)cc1NC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 552586032 SXPCXJWSOJPNIH-UHFFFAOYSA-N 429.867 5.223 30 20 IKED N#Cc1ccnc(Sc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)c1Cl 553483099 OWYHWYPXCJJOIA-UHFFFAOYSA-N 428.304 5.311 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 554445998 CITQVFGIPJZFMH-UHFFFAOYSA-N 435.455 5.329 30 20 IKED CCCOc1ccc(-c2noc(C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n2)cc1 555089254 GLEANOAZNPFWSN-UHFFFAOYSA-N 445.479 5.029 30 20 IKED CCn1c(-c2ccc(CSc3ccc(Cl)cc3)cc2)nnc1N1CCC(C#N)CC1 558876396 DXBZBPJTHFNKJV-UHFFFAOYSA-N 438.000 5.651 30 20 IKED CCc1cccc2c(C3CCN(C(=O)c4cnc(C(F)(F)F)c(C#N)c4)CC3)c[nH]c12 559147319 SEONGPJCGAMTCK-UHFFFAOYSA-N 426.442 5.036 30 20 IKED Cc1ccc(OC2CCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)CC2)cc1C 569294195 LRGUGTHDSLTDCR-UHFFFAOYSA-N 442.519 5.438 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(-c4noc(C(F)F)n4)cc3)c2)c1 571474254 CDGGQGQHTQTVNQ-UHFFFAOYSA-N 446.413 5.377 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)cc2)ccn1 577028953 JPOUUCAOFNRCPY-UHFFFAOYSA-N 435.487 5.548 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)Nc3cc(C(F)(F)F)ccc3Br)CC2)c1 580738636 UVEVLKBKYLJAFN-UHFFFAOYSA-N 427.195 5.149 30 20 IKED Cc1ccc(-n2ncc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c2C(F)(F)F)cc1 592975715 LWFNNZDRRDZXJX-AWEZNQCLSA-N 444.413 5.438 30 20 IKED CSc1ccc([N+](=O)[O-])c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 603613656 JMHWQWGMRUBBHM-GFCCVEGCSA-N 437.424 5.435 30 20 IKED COCCN(Cc1ccc(C)cc1C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604499427 AIPRDYDMHUEPDA-UHFFFAOYSA-N 430.508 5.043 30 20 IKED O=C(c1csc(Cc2ccccc2F)n1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 605087175 OMVFIEVSLDAXJI-RYUDHWBXSA-N 440.384 5.076 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)c1nc2cc(F)ccc2s1 608553027 KOMWUHBERVXQIV-OAHLLOKOSA-N 426.394 6.010 30 20 IKED Cc1ccccc1-c1nc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cs1 608940126 WGNVAWTYAAFHOZ-UHFFFAOYSA-N 439.540 6.016 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NCC(=O)Nc3cccc4ccccc34)c2)cc1 609209655 HDJFWZKLKVNCSP-UHFFFAOYSA-N 436.471 5.264 30 20 IKED CCC[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1 609213013 QIEUJLAJNGPXRU-JOCHJYFZSA-N 445.485 5.671 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCCO[C@@H](c4ccccc4)C3)cc2Cl)cc1 609252522 PMTIBAPBYRQUOC-XMMPIXPASA-N 447.922 5.999 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(CN2CCC[C@@H](C)C2)cc1 609436732 SHOABXPDUFKDCL-UXHICEINSA-N 436.625 5.634 30 20 IKED CCNC(=O)c1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c(C)c1 609723574 GTSUYWFFIPJQKZ-UHFFFAOYSA-N 433.895 5.314 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 609928751 HAROMFKQKMPRDU-NRFANRHFSA-N 429.495 5.895 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)cc2)nn1 610184113 FTNBXOJEAWNAID-UHFFFAOYSA-N 436.471 5.280 30 20 IKED N#CCCCOc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 611201323 OHKURQLNXPLOQJ-UHFFFAOYSA-N 425.510 5.564 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1OCC 618742990 ULTLZFYEJADALS-HXUWFJFHSA-N 427.342 5.061 30 20 IKED Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 619517008 ZDQKDDCHXVYANF-UHFFFAOYSA-N 430.851 5.615 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccc(C#N)c(Cl)c3)c2)cc1 619787461 OEBIVFOLAKJTIF-UHFFFAOYSA-N 430.895 5.178 30 20 IKED FC(F)Oc1ccc2ccccc2c1CNC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642197936 GSJXVDZJFJOJPH-STQMWFEESA-N 441.362 6.440 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc4c(cnn4Cc4ccccc4)c3)n2)cc1 642281270 VOSBIVZYQVBEEI-JOCHJYFZSA-N 449.539 5.402 30 20 IKED Cc1noc(-c2ccccc2C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)n1 679537689 HMHVLQYQPJYUCR-CQSZACIVSA-N 428.395 5.164 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 684800006 YOTFMHDXGZVIQN-FPFACLPRSA-N 448.329 5.169 30 20 IKED Cc1ccc([C@@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)N2CCCC2)o1 726074496 QASVMUKIBRLWRY-DNQXCXABSA-N 428.536 5.202 30 20 IKED COC(=O)Nc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 728474779 BSZILSNECCVQSQ-UHFFFAOYSA-N 435.867 5.221 30 20 IKED CC[C@H](C)Oc1ccccc1/C=C\C(=O)[C@H](C#N)C(=O)Nc1cc(C)c(Cl)cc1OC 729888002 ADIWUPCBZWFWKW-BUIAECPWSA-N 440.927 5.195 30 20 IKED N#C[C@@H](C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1nc2cc(F)ccc2s1 730416136 AVUKCMCUEARADO-ZDUSSCGKSA-N 444.900 5.107 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2csc(I)c2)cc1 730745614 OXMLACDNRAZNHQ-KRWDZBQOSA-N 444.297 5.260 30 20 IKED C[C@H]1CCc2c(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)csc2C1 731064027 OPLATNPHHSYESV-GJZGRUSLSA-N 428.579 5.063 30 20 IKED C#CCN(C(=O)Nc1c(C)cccc1C(C)C)[C@H]1CCOc2ccc(Br)cc21 733614928 OQSDHIMYKWGJDR-FQEVSTJZSA-N 441.369 5.872 30 20 IKED N#CCOc1ccc(Cl)cc1COc1ccc(C(=O)N2CCc3sccc3C2)cc1 735302618 AVLIJXUGSRUNIK-UHFFFAOYSA-N 438.936 5.081 30 20 IKED Cc1cc(COc2ccc(/C=C\C(=O)c3c(Cl)nc4ccccn34)cc2)oc1C(=O)O 737446507 UOODALOQGFEDHM-YFHOEESVSA-N 436.851 5.062 30 20 IKED CC(=O)Nc1ccc(S[C@H](C)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 739594736 PKJWXFDOUMZRRA-OAHLLOKOSA-N 435.574 5.042 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=S)N[C@H]2CCOc3ccccc32)cc1 741483604 GGYMNUVGSFKNGR-FQEVSTJZSA-N 431.517 5.169 30 20 IKED C[C@@H](OC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nc(-c2cccnc2)no1 741821483 VPVQJWAMTKHRAG-MRXNPFEDSA-N 442.500 5.214 30 20 IKED CC[C@H](NCc1ccc(C#N)o1)c1ccccc1OCc1ccccc1Br 742369625 ALSLBFVEFBSDSH-NRFANRHFSA-N 425.326 5.734 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccccc2Cl)C2CCCC2)c1 745820129 HSOYAKSVVQGETL-OAQYLSRUSA-N 425.960 5.675 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1cc(Cl)ccc1[N+](=O)[O-] 746389732 SODDPMFGORNZGO-UHFFFAOYSA-N 434.880 5.036 30 20 IKED COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 747198923 OENWXHTUCXCRIY-CYBMUJFWSA-N 449.960 5.766 30 20 IKED Cc1c(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cccc1N1CCOC1=O 748378123 GXZZWPIKWBRHDO-UHFFFAOYSA-N 429.501 5.227 30 20 IKED N#CCC[C@H](NC(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl)c1ccccc1 748571310 ZRFVGSVIFUKMAF-IRXDYDNUSA-N 434.392 6.139 30 20 IKED Cc1csc(SCc2ccccc2C(=O)NC2CCN(c3ccccc3C#N)CC2)n1 749533552 MWUKPRUKUCINTF-UHFFFAOYSA-N 448.617 5.014 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 751084865 PRZSKXLYWBEIKZ-IBGZPJMESA-N 436.265 5.265 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)cc2)cc1 751112210 YUMGTKXHEJFLAR-UHFFFAOYSA-N 438.237 5.274 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)cc1C=Nn1cnnc1SCc1ccc(Cl)cc1 755593580 NSTIKRBSZXJUHA-UHFFFAOYSA-N 443.363 5.254 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](c2ccccc2F)C2CCCC2)ccc1OC 756029702 DSCPNDFNOZILKL-DVECYGJZSA-N 439.531 5.246 30 20 IKED C#CC[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1)c1ccccc1 757758588 ZQCYKQBKSAXZRT-SQJMNOBHSA-N 446.572 5.187 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ncoc1-c1ccccc1Cl 764749220 BJBTXXXTAIBAGF-UHFFFAOYSA-N 437.670 5.323 30 20 IKED C[C@H](Cc1ccc(F)c(Br)c1)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 766352330 WSJJBJXSOQTTAL-ZWNOBZJWSA-N 435.293 5.392 30 20 IKED C[C@@H](NC(=O)c1ccc(Cl)nc1C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 766868768 KJESPZSHHJWIAX-CYBMUJFWSA-N 429.829 5.783 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)c2cccc(COC3CCOCC3)c2)c1 769196178 ZLZISIXGCXYFMS-UHFFFAOYSA-N 431.557 5.272 30 20 IKED CCCN(C)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 770102660 VAURJPKEPUMCNF-JOCHJYFZSA-N 427.504 5.286 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 773275268 NQDCYKOKCJPSET-OZOXKJRCSA-N 427.545 5.197 30 20 IKED N#CCc1ccccc1CC(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2 776740085 HPTHONCVZNJMPF-UHFFFAOYSA-N 426.545 5.417 30 20 IKED C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1 777984261 MRJASKZMTOKSSS-QGZVFWFLSA-N 439.481 5.380 30 20 IKED C[C@@H](OC(=O)c1ccccc1Oc1ccccc1C#N)C(=O)N1CCC[C@H]1c1cccs1 778180218 BWOAHYQVMCODRC-XLIONFOSSA-N 446.528 5.321 30 20 IKED C=CCC[C@H](C(=O)OCC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)c1ccccc1 778552489 NNUSHSZVUZLLIQ-QHCPKHFHSA-N 431.536 5.029 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2 780153032 YTNAAMHXSQAOHV-ORKPOYISSA-N 449.510 6.248 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1C 780170592 YCTGWRKPTSRELK-FQEVSTJZSA-N 436.515 5.699 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(C(F)(F)F)cc1Br 780605442 GJSNCLPHGGYCRR-JTQLQIEISA-N 428.208 5.403 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 780680294 FAXGMHMIKCZQOV-HNNXBMFYSA-N 448.350 5.497 30 20 IKED N#C[C@@H](C(=O)CC1CCC(C(F)(F)F)CC1)c1nc(-c2ccc(Cl)cc2)cs1 783358145 YARGDHCJZVMIOE-PXCJXSSVSA-N 426.891 6.399 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(COc2ccc(Cl)nc2)CC1 788598680 HOJLJUJFDBQGOM-MRXNPFEDSA-N 444.988 5.310 30 20 IKED CC(C)(C)C(=O)NC1CCC(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1 789405853 NJMQDHHWEWIGLC-VJFUWPCTSA-N 444.000 5.361 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Br)cn1 793403878 WVFDFCCLDBXSGB-QRWLVFNGSA-N 435.325 5.382 30 20 IKED CC(C)(C(=O)OCc1ccc(OCC#N)cc1)c1csc(-c2c(F)cccc2F)n1 795946743 MDUJSWCKBIRCNG-UHFFFAOYSA-N 428.460 5.012 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)cc1C#N 812538238 LRHAXAMTZVUWJZ-UHFFFAOYSA-N 444.369 5.053 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@](CO)(Cc3ccccc3)C2)cc1 812919638 OJVGOPSJELVSQI-IAPPQJPRSA-N 439.559 5.191 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ncc(-c4ccccc4Cl)o3)n2)cc1 915099792 BKCGXQQGVZDTKS-GOSISDBHSA-N 447.947 6.236 30 20 IKED N#C[C@H](C(=O)Cc1ccc(OC(F)F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 915104362 PAVXYHNDIWUHAA-CYBMUJFWSA-N 426.366 5.335 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 915174877 FRUYQRJNMQKDEF-UHFFFAOYSA-N 444.491 5.023 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(OC)c1 915351545 DWEZUTBXGMZKAK-DQEYMECFSA-N 441.531 5.728 30 20 IKED COc1cc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccnc2)ccc1OC(F)F 916127070 ZPTWGLVJRSZBGZ-PKNBQFBNSA-N 447.441 5.440 30 20 IKED COc1ccc(N(C(C)=O)c2nc(C=NNc3ccc(Cl)cc3Cl)cs2)cc1 916337947 HBZVVAPEYOWSMJ-UHFFFAOYSA-N 435.336 5.589 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CSc1ccc(C(C)(C)C)cc1 916901856 BNWUZRPMGLKGIW-QGZVFWFLSA-N 444.984 5.394 30 20 IKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)oc2ccc(Cl)cc12 916904463 DKLDIQCNYOHNES-IBGZPJMESA-N 444.874 6.148 30 20 IKED C[C@@H](Sc1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920804000 IFRDKEZFBILIEP-RISCZKNCSA-N 434.920 6.099 30 20 IKED N#C[C@@H](C(=O)/C=C\c1ccc(Br)o1)c1nc(-c2c(F)cccc2F)cs1 920804031 ISGYXCDQPMGFGR-QZPNVGJNSA-N 435.249 5.333 30 20 IKED Cc1occc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1787365224 CQQPBVYMHXGNMB-UHFFFAOYSA-N 433.895 5.175 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c[nH]nc4c3)cc2)CCC1 1788450445 CZHDEUGXOXUQSS-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cn4cc(F)ccc4n3)cc2)CCC1 1789291585 KCJKLUTTWMKJPL-UHFFFAOYSA-N 448.542 5.214 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(F)c(F)cc4F)cc3)CCC2)cc1 1790636216 WWWMIISNOMQQLJ-UHFFFAOYSA-N 449.432 5.037 30 20 IKED CC1=CC[C@H](C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)ccc4F)cc3)CCC2)CC1 1790763659 BVWKGMGLZLBQSF-IBGZPJMESA-N 431.511 5.191 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)c(Cl)c3)CCC2)cc1 1791730113 ILMRLLPAURZDJD-UHFFFAOYSA-N 438.955 5.290 30 20 IKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)c(C)o1 1792122239 HJUIEIGUPGLSPI-KRWDZBQOSA-N 441.531 5.585 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cccc(F)c3s1)C2 1798334032 SQKWPCRKVGQBAO-RDGPPVDQSA-N 426.557 5.061 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1798340366 VVQRMJJLHIUXAO-TWFMJERGSA-N 445.607 5.114 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2csc(C)c2C)[C@@H]1c1cccnc1 1802495985 HPWLQQQYVVXZKO-RBBKRZOGSA-N 439.625 5.072 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@H](C)Sc3ccccc3)CC2)C1 1805452329 ZVQCLLOVGNECIC-NRFANRHFSA-N 440.653 5.167 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3cc(C)[nH]c23)[nH]n1 1814828961 HXRRWYRYYDPONP-JOCHJYFZSA-N 445.567 5.274 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cccc(C)c3[nH]2)n[nH]1 1819024420 GZTKYUKROYCKFN-DENIHFKCSA-N 445.567 5.274 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/Sc2ccc(C)cc2)[nH]n1 1821922533 MDZCFTTUSPVDMF-UYCBQHLUSA-N 438.597 5.228 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(C)CCCCC3)n[nH]2)c1 1822337570 YYTIOJAPTYDLFE-GCJKJVERSA-N 447.583 5.313 30 20 IKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)[nH]n1 1822393717 CYSXUSPVJUHUBW-LJQANCHMSA-N 434.565 5.042 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3ncoc3c2)CC1 1823752063 KOVWXRQDTQRKOL-JOCHJYFZSA-N 437.584 5.054 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CNc2ccccc2C)CC1 1823753030 RZEUCCXAFOJUGO-XMMPIXPASA-N 439.644 5.019 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(Cl)c2)CC1 1824143338 KTPKKUBJAJWBOH-HSZRJFAPSA-N 429.004 5.342 30 20 IKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(C)(C)C)s2)CC1 1827904423 LJTLOLLHFSHROU-IBGZPJMESA-N 448.698 5.198 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 1828831108 ZNGKLONUYBTWJT-ZJSPYRCASA-N 434.624 5.178 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)Nc2ccccc2)CC1 1828847039 HGCFKLHAKVIWLQ-QPPBQGQZSA-N 439.644 5.099 30 20 IKED CC(C)[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 1831565587 HSESKULKCQCDBN-HRNNMHKYSA-N 449.639 5.254 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 1832029793 QKPHMGSNHUPGCH-JOCHJYFZSA-N 448.529 5.132 30 20 IKED N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-n2c3ccccc3c3ccccc32)c1 1857776045 KXMHPELKLKNUCC-UHFFFAOYSA-N 433.514 7.752 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccccc2Cl)cc1 10826921 JDRRCGIHLQLXOO-UHFFFAOYSA-O 445.942 5.909 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cccc(Cl)c2C)c1 11257667 HTNFFYMFMOLOQC-UHFFFAOYSA-O 431.915 5.573 30 20 IKED C[C@H](OC(=O)CCc1ccc(C#N)cc1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 12955694 YMYJIXDVLFQSEV-NSHDSACASA-N 425.699 5.021 30 20 IKED CC[C@@H](C)c1ccccc1OC/C(O)=N/c1nc(-c2ccc(CNC(C)=O)s2)cs1 21445912 SPYCXQQJCZYNCA-CQSZACIVSA-N 443.594 5.688 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nnc1-c1ccccc1 21755145 MTWDXOPCHCPOFM-DLBZAZTESA-N 432.549 5.235 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 22800339 ARDQESPVPGCLAU-UHFFFAOYSA-O 433.981 5.750 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2ccccc2OC(F)F)n1 36758006 LMUNBUVDSQJZAX-SNVBAGLBSA-N 431.386 5.001 30 20 IKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)Nc1cc(C#N)ccc1C)CC2 58453575 KSSNNOJDBOEUJK-QHCPKHFHSA-N 433.533 5.125 30 20 IKED Cc1sc2ncnc(SCC(=O)Nc3ccccc3S[C@@H](C)CC#N)c2c1C 78665664 CAEVBPKQQDJGKV-LBPRGKRZSA-N 428.608 5.433 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)nc2ccccc21 195720708 KBXRAFIRVCFXQU-ZDUSSCGKSA-N 427.316 5.494 30 20 IKED COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)c(OC)c1 208894473 ZAKQLPCZOSTMSE-UITAMQMPSA-N 444.459 5.019 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(SCc3cccnc3)cc2)cc1OC 210976712 AYTNDSQJSBHGML-QPEQYQDCSA-N 432.545 5.599 30 20 IKED C[C@H](Nc1nc(C(F)(F)F)ccc1C#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 301277990 JHKAZYWHOXFENP-ZDUSSCGKSA-N 428.389 5.537 30 20 IKED N#Cc1ccc(Sc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)c([N+](=O)[O-])c1 302922371 SYWVFESFJLRVBZ-UHFFFAOYSA-N 431.452 5.064 30 20 IKED CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1 303661378 WNTKHDUDCKLLCU-LJQANCHMSA-N 441.531 5.052 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](c1ccccc1)c1ccco1 409474653 LARDMVRKALHKBB-NRFANRHFSA-N 443.316 5.668 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Sc1ccnc2cc(Cl)ccc12 426269862 YBDKODLEHFVURC-LSDHHAIUSA-N 442.009 6.402 30 20 IKED N#CCSc1cccc(C(=O)Nc2ccc(CN3C(=O)Cc4ccc(Cl)cc43)cc2)c1 429845743 BVEPUXZVXSESOZ-UHFFFAOYSA-N 447.947 5.297 30 20 IKED C[C@@H](NC(=O)c1cccc(SCC#N)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 429872084 MXCJEVOXYSJXCS-MRXNPFEDSA-N 433.508 5.185 30 20 IKED CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N[C@@H](CCCC#N)c1ccccc1 431462811 CLHGLZNRKSNJSZ-CZAAIQMYSA-N 444.373 5.259 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1ncccc1C(F)(F)F 432228755 LWNFJIKQAPWNDT-CYBMUJFWSA-N 425.501 5.367 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC3(CCC3)[C@H]2c2ccccc2)cc1 432918604 QFVBDEGHZPXYEI-AREMUKBSSA-N 437.543 6.091 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Oc1ccc(C(F)(F)F)cc1 437596997 BJFBYHBOJYJNCJ-HNNXBMFYSA-N 441.409 5.479 30 20 IKED COc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 437597434 BOBSOOSMWLCYPX-XZOQPEGZSA-N 427.504 5.791 30 20 IKED COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccc(F)c(C#N)c1)CCO2 437987804 PXOMJFPMXKQKKA-HSZRJFAPSA-N 431.467 5.264 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)c(C)c1 438832589 CQVBLGHRUWNGMN-MRXNPFEDSA-N 425.554 5.122 30 20 IKED CC(C)Cc1ccc(C(=O)C2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)cc1 438840664 NTMDWUGGPCFRCB-RUZDIDTESA-N 431.580 5.534 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1ccc(OCC)c(F)c1)c1ccc(C(F)(F)F)cc1 442038924 APTRMBKHQPDXAC-SFHVURJKSA-N 438.421 5.005 30 20 IKED CCC[C@H](CC)NC(=O)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 442194015 ZJMZJQRYKAYLNV-INIZCTEOSA-N 433.430 5.003 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1nc(COC)sc1-c1ccccc1 442582183 ITXSBFCVGUAYLZ-UHFFFAOYSA-N 448.013 5.569 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(O)nc3ccccc23)cc1Cl 443690973 QPBNYDNNVRQEHT-OAQYLSRUSA-N 442.906 5.571 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c2ccccc21 443913830 QDDFZOVDDDJLKF-UHFFFAOYSA-N 436.540 6.474 30 20 IKED Fc1ccccc1-c1cnc(CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)o1 444742658 JRPGOKPOPIKNEV-MRXNPFEDSA-N 432.339 6.283 30 20 IKED C=C(C)Cn1c(SCc2nc(C(C)(C)c3cccc(F)c3)no2)nnc1-c1ccco1 445619368 RRFHKAKKIPFYPI-UHFFFAOYSA-N 439.516 5.255 30 20 IKED Cc1cc(NC(=O)Nc2ccc(-c3nc4cccc(Cl)c4s3)cc2)nn1CCC#N 446315869 OHQVGLPBXJYOHL-UHFFFAOYSA-N 436.928 5.679 30 20 IKED Cc1sc(Br)cc1S(=O)(=O)Nc1ccccc1S[C@H](C)CC#N 447329665 AFBJCCOBIOLVTF-SNVBAGLBSA-N 431.402 5.014 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] 447371624 GIEQIJIJFUBOOV-UHFFFAOYSA-N 434.296 5.271 30 20 IKED CC[C@H](Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1)c1ccc(C#N)cc1 447600713 NDAFVVFZEKPCRY-VGSWGCGISA-N 435.959 5.788 30 20 IKED N#CCCn1ncc(C(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)c1-c1ccccc1 461112247 SQHBOKLVVLUSFZ-UHFFFAOYSA-N 433.924 5.493 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 465761960 SQPIBKBBGSKZIC-YUXAGFNASA-N 430.577 5.661 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(-c2ccccc2OC)cc1 466072184 XNXGXXDHMKVCPX-FQEVSTJZSA-N 443.547 5.153 30 20 IKED CC(C)c1ccccc1NC(=O)C[C@@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469131847 HMNSVEWBKWPCGQ-LJQANCHMSA-N 432.568 5.222 30 20 IKED C[C@@H](O)C[C@@H](CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccccc1 469698056 NYIGSJNOJPZTAD-XLIONFOSSA-N 433.483 5.166 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3nnc(-c4cc5ccccc5o4)s3)cc2)nc1 470378477 AYZTUMHYNRNGRD-UHFFFAOYSA-N 439.456 5.263 30 20 IKED COc1ccc([C@H](NCc2nnc(-c3ccc(C#N)cc3)o2)c2ccccc2Cl)cc1 471647088 OHOZIMATIQKPJG-QHCPKHFHSA-N 430.895 5.149 30 20 IKED Cc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(-c2nc(C3CC3)no2)c1 471652886 HROOELNTKAZSBZ-UHFFFAOYSA-N 436.471 5.839 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(C(F)(F)F)c2C)cc1C 471824871 IPPNHGACQBKWGN-UHFFFAOYSA-N 426.442 5.660 30 20 IKED Cc1cccc2c1OCC[C@H]2NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 473961188 BHVSLIAKJAHKBQ-XMMPIXPASA-N 429.495 5.241 30 20 IKED C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)COc1cc(Cl)ccc1C#N 474389765 OHQAEHUCFDOULF-QGZVFWFLSA-N 447.922 5.062 30 20 IKED COc1ccc(Br)cc1-c1nc(C[S@@](=O)CCCC(C)(C)C#N)cs1 476886795 OHEVXXCSYZBUNU-VWLOTQADSA-N 441.416 5.160 30 20 IKED Cc1nn(CC(F)(F)F)cc1C(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 477875952 LSBRVWSFUDKICG-HIHZZFLASA-N 448.514 5.168 30 20 IKED CC(C)n1c([C@H]2CCCN2C(=O)CCCCOc2cccc(C#N)c2)nc2ccccc21 478305412 LGAWGVQKOYFNEV-XMMPIXPASA-N 430.552 5.402 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N(C)c1cc(Cl)ccc1C#N 479566599 LOGPJYQOPQJCDB-UHFFFAOYSA-N 444.343 5.764 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 480321105 UEMPYSAUEASTSO-SFHVURJKSA-N 447.457 5.014 30 20 IKED CCc1ccc([C@H]2COCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)o1 480380870 GDNMXQBEFHWZFO-XMMPIXPASA-N 445.519 5.092 30 20 IKED Cn1c(CC#N)nnc1Sc1nc(/C=C\c2ccccc2)nc2sc3c(c12)CCCC3 480831320 VYERILQQUHIHCX-QXMHVHEDSA-N 444.589 5.086 30 20 IKED Cc1onc(-c2ccccn2)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 481505531 AJOQWJXMVOTTOW-UHFFFAOYSA-N 444.878 5.401 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 486242917 WWGZAOOAONWGJL-HIFRSBDPSA-N 448.375 5.237 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1ccc2ncsc2c1 486510770 GJAMTTCMYSADAH-QGZVFWFLSA-N 442.544 5.938 30 20 IKED CCOc1ccc(-n2c(S[C@H](C#N)Cc3ccc(C)cc3)nnc2-c2ccccn2)cc1 489464490 PAHLJVGIYQBMJF-QFIPXVFZSA-N 441.560 5.263 30 20 IKED N#Cc1ccc(Br)c(CNc2ccccc2NC(=O)Cc2cccs2)c1 492357566 OBKGPFWJRUTTMF-UHFFFAOYSA-N 426.339 5.176 30 20 IKED N#Cc1ccc(CSCC(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1 498235935 DITNHRCMGHWLJE-QFIPXVFZSA-N 434.540 5.074 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(C)nc2c1cnn2C(C)C 500114298 QVGMXIOUVLIBSV-UHFFFAOYSA-N 445.336 5.051 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2sc(-c3ccc(OC)cc3F)nc2C)cc1 503292714 QODNZNAWBRYTGQ-UHFFFAOYSA-N 439.512 5.225 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2cn3ccccc3n2)cc1Cl 504683127 CEIUQXNZXQBELU-NRFANRHFSA-N 429.911 5.007 30 20 IKED Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1 505922360 GOANARQXLRZBLH-FQEVSTJZSA-N 430.291 5.172 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F 509948231 ZAEXLZVLEZKPGR-RXVVDRJESA-N 443.469 5.138 30 20 IKED Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)c12 511074509 KHULUPRLADXTIS-UHFFFAOYSA-N 439.544 5.105 30 20 IKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@@H]1CCCN(C2CCC2)C1 511302956 BMBFTBFFGUZXFD-SIKLNZKXSA-N 433.621 5.233 30 20 IKED C=CCN(C(=O)c1cc(-c2ccc(C)cc2)no1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 512170553 LCMLDRQNFBSZGE-UHFFFAOYSA-N 446.488 5.515 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCO[C@@]3(CCc4ccccc43)C2)cc1 512223234 BYVKBPZSMBPFTO-MHZLTWQESA-N 440.568 5.165 30 20 IKED Cc1ccc(-n2nc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)c3c2CCCC3)cc1 512979213 BIQBBTFUUKNKRW-HXUWFJFHSA-N 439.544 5.068 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)COc2ccccc2C(F)(F)F)cc1 515651282 BSAPJFHREGSQRE-UHFFFAOYSA-N 440.421 5.368 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1Cc2ccccc2-c2ccccc2C1 517533633 YIMOVNFAFHTRJP-GOSISDBHSA-N 441.556 5.229 30 20 IKED Cc1nc(-c2ccccc2)c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)s1 518872634 SOCJXOORWHKETH-CQSZACIVSA-N 437.496 6.010 30 20 IKED O=C(Nc1cccc(OCC(F)(F)F)c1)c1cnn(-c2ccccc2F)c1C(F)(F)F 520012727 AVMGPHRXBXIWGB-UHFFFAOYSA-N 447.310 5.224 30 20 IKED CC(C)NC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 521260897 JYGVPIJTTZVGCD-OAHLLOKOSA-N 440.475 5.108 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cnn(-c2ccc(Br)cc2)c1 521797655 RXQYRVDTYNLQSQ-AWEZNQCLSA-N 441.354 5.281 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1c(C)c(C(C)(C)C)nn1-c1ccccc1 522652818 FGVUOUXCSUKEKO-UHFFFAOYSA-N 447.539 5.607 30 20 IKED CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nc(C)cs1 524663206 GTGKHHFRVDNPRT-GOSISDBHSA-N 426.929 6.042 30 20 IKED Cc1cc(Cc2cnc(NC(=O)c3c(F)cc(C#N)cc3F)s2)ccc1Br 531028132 BSEOMJNXTPQPCV-UHFFFAOYSA-N 448.292 5.207 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCc4c([nH]c5ccccc45)C3)c2)cc1 535485973 GTSNYKBIXNDAKZ-UHFFFAOYSA-N 436.515 5.403 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)cc1Cl 535616267 HQBKVCGJLJFVDM-UHFFFAOYSA-N 442.906 5.179 30 20 IKED N#Cc1ccccc1Oc1ccc(-c2nc(CC(=O)Nc3ccccc3)no2)cc1Cl 536391492 UCPLXWKUGLSOID-UHFFFAOYSA-N 430.851 5.235 30 20 IKED C[C@H](NC(=O)c1ccccc1Oc1ccccc1C#N)c1ccc(NC(=O)NC2CC2)cc1 538677740 CMBDABAIROKBRB-KRWDZBQOSA-N 440.503 5.125 30 20 IKED Cc1c(C#N)c(NC(=O)CCN[C@@H](C)c2ccc(OC(C)C)cc2)n(Cc2ccco2)c1C 539265616 TVNHGYGIEAOUOQ-IBGZPJMESA-N 448.567 5.085 30 20 IKED COc1ccc(CNc2nnc(Cc3ccc4ccccc4c3)o2)cc1OCCCC#N 539692359 ROXWYYBXXQYQRP-UHFFFAOYSA-N 428.492 5.117 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1C[C@H]2CCC(C)(C)c3cccc1c32 540686123 XPQIKRVXLRDFDX-LZJOCLMNSA-N 447.604 5.293 30 20 IKED N#CC1(c2ccc(C(=O)Nc3ccc(Cl)c(C(=O)NCc4ccccc4F)c3)cc2)CC1 540735478 NTCQYZVTZXGCFH-UHFFFAOYSA-N 447.897 5.217 30 20 IKED N#CCc1ccc(CSc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)cc1 541264033 QGKZCMKSKLVVSF-UHFFFAOYSA-N 440.528 5.080 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccccc1C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 543924655 SMIKNLAPJBJOSS-OAHLLOKOSA-N 437.421 5.060 30 20 IKED C[C@H](C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1cccnc1 544011465 BEFZQLPUXGUZHS-XPTSAGLGSA-N 444.297 5.643 30 20 IKED Cc1ccccc1C1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 544536392 LYRUCXKDXMOIFB-UHFFFAOYSA-N 439.559 6.052 30 20 IKED CCN([C@H](c1ccc(C(C)C)cc1)c1cccnc1)S(=O)(=O)CC1(C#N)CCCC1 546769639 SSTCZRBWCRXDDJ-HSZRJFAPSA-N 425.598 5.030 30 20 IKED Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCC(C#N)CC2)n1Cc1cccs1 549860370 MEGLWPSJBHSNBE-UHFFFAOYSA-N 446.605 5.227 30 20 IKED CC(C)c1ccc(CN2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)cc1 553071646 SZJUDUXCSKMRCO-HXUWFJFHSA-N 436.625 5.411 30 20 IKED Cc1nc(COc2cccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)c2)cs1 554865805 TTZCNGDYOHXVOO-FQEVSTJZSA-N 431.542 5.644 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1csc(-c2ccccn2)n1 557562214 YFDRQUXBPSZINL-OAHLLOKOSA-N 440.619 5.471 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1nc(C2CCCCC2)no1 558512263 SLJLNMLUIJZWRO-HNNXBMFYSA-N 432.484 5.059 30 20 IKED CN(C(=O)c1ccccc1-c1ccccc1C#N)c1ncc2c(n1)-c1ccccc1SC2 561829978 MMJJNOXOWCPFSC-UHFFFAOYSA-N 434.524 5.565 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3C[C@H](c4ccccc4)[C@@H]4COCC[C@@H]43)c2)cc1 562168384 MBEWFWHJZLJUGR-ZNZIZOMTSA-N 439.515 5.387 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc4c3CC(=O)CC4)cc2Cl)c1 567341119 RQNMACYDXFZTJJ-UHFFFAOYSA-N 430.891 5.101 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NCc3ccc(CN4CCCCC4)cc3)cc2)ccn1 568921044 CQCLHNBPYWCXHP-UHFFFAOYSA-N 441.535 5.053 30 20 IKED COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N[C@](C)(C#N)CSC)cc1 569853625 XXUVSBQOZVCNBS-GKHWQOBXSA-N 443.572 5.105 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)COc1cccc2cccnc12 573277736 OXCCKSIYZQTLHQ-UHFFFAOYSA-N 431.439 5.277 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](c2ccccc2OC)C1 573745166 JPPRAGATDOBSKL-RTBURBONSA-N 436.531 5.136 30 20 IKED CC(=O)Nc1ccc(-c2noc(C(C)(C)c3cc(F)cc(C#N)c3)n2)cc1C(F)(F)F 574943414 SXZDRKOLHDYGJX-UHFFFAOYSA-N 432.377 5.050 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 578176342 CAYCFWHDGBRAJG-MMEWPQADSA-N 449.407 5.373 30 20 IKED C=CCn1c(SCc2nc(-c3ccoc3)no2)nc2sc(-c3ccccc3)cc2c1=O 591772283 DOPXHDODPWTTIH-UHFFFAOYSA-N 448.529 5.246 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCNC(=O)c2ccsc2)cc1Cl 603673388 NVLBTIGBUUHRGC-HXUWFJFHSA-N 437.952 5.206 30 20 IKED COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1ccc(Cl)c(C#N)c1 603952396 VAFARNMTRUECOL-UHFFFAOYSA-N 426.881 5.136 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCCc2ccccc2)cc1Cl 604139523 VOPLUHCEYWZNRB-QHCPKHFHSA-N 445.950 5.073 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 604275966 DHYZDQOOJDWSPM-GVDBMIGSSA-N 449.439 5.001 30 20 IKED N#C[C@H](C(=O)c1csc(Nc2ccccn2)n1)c1nc(-c2c(F)cccc2F)cs1 606145030 GSZQAKMVEYWEHV-LLVKDONJSA-N 439.472 5.173 30 20 IKED Cc1nn(-c2ccccc2)c(CSc2nnc(Cc3c(F)cccc3Cl)o2)c1C#N 608929498 CPPPOCIHQAIYCJ-UHFFFAOYSA-N 439.903 5.111 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc1 609031588 IMUDNZMAAHLTFR-HOTGVXAUSA-N 427.253 5.560 30 20 IKED Cc1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1ccc(Oc3ccc(C#N)cc3)c(Cl)c1)CC2 609323947 MAQGLLIQIMGTEO-JOCHJYFZSA-N 445.906 5.055 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2ccc(Br)cc2)c1 609377310 UHUXTYWDHILYCC-AWEZNQCLSA-N 441.354 5.139 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)o1 609381577 OLQDZGSPPIGLAN-QHCPKHFHSA-N 425.488 5.579 30 20 IKED COc1cc([C@@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)ccc1OC(C)C 609499852 MJVYNLFXOPQSAN-QGZVFWFLSA-N 431.492 5.032 30 20 IKED CC(C)N(C)CC1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 609730919 HMGBCUBTMPHWLH-UHFFFAOYSA-N 425.960 5.196 30 20 IKED N#Cc1cnn(-c2ccc(C(=O)Nc3cccc(CSC4CCCCC4)c3)cc2)c1N 609737406 GYKJPLHYKJANCG-UHFFFAOYSA-N 431.565 5.144 30 20 IKED N#CCCn1cc(CNc2cccc(CSc3ccccn3)c2)c(-c2ccccc2)n1 610910615 XAYQAOQGLUOJIL-UHFFFAOYSA-N 425.561 5.763 30 20 IKED CC(C)C[C@H](C#N)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 611251753 XXPOUCZBSQKXJW-CQSZACIVSA-N 437.443 5.433 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CN[C@@H](C)c2cccc(C#N)c2)cs1 611389427 VWPYUTDOMDVUQK-AWEZNQCLSA-N 444.482 5.569 30 20 IKED Cc1cc(N2CCC(C(=O)c3cc(F)ccc3F)CC2)n2c(nc3ccccc32)c1C#N 613518915 STFRRPSQYOAUGE-UHFFFAOYSA-N 430.458 5.045 30 20 IKED COC(=O)c1sc2ccccc2c1CNC(=O)Nc1ccccc1S[C@H](C)CC#N 614169554 CHOBDERUTYZCNA-CQSZACIVSA-N 439.562 5.404 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)Nc1cccc(Sc2ccccc2)c1 615298274 VUKRZOZRVTZCOR-QGZVFWFLSA-N 447.585 5.667 30 20 IKED C[C@H](c1cc(F)ccc1F)N(C)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 616090253 SISNFPWSENOPDO-GMTAPVOTSA-N 432.355 5.577 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)ccc1OCc1ccc(Cl)cc1 642281431 GNXJUBFVDUIETD-SFHVURJKSA-N 432.863 5.559 30 20 IKED C=CCn1c(Sc2ncnc3ccsc23)nnc1-c1ccc(Br)cc1 669640573 RLSDOIVFHRWROZ-UHFFFAOYSA-N 430.356 5.050 30 20 IKED C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC2(CC1)OCc1ccccc12 669803207 ZAUFHRISZNMTBD-OAQYLSRUSA-N 444.579 5.247 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccc(Cl)c(Cl)c3)n2)cc1 726324609 DIPVVOIVRJSWAK-INIZCTEOSA-N 431.344 5.935 30 20 IKED CCc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(O)c2)cc1 726571966 PVAPDEPWVCUOSD-UHFFFAOYSA-O 436.944 5.090 30 20 IKED C[C@@H](c1ccc(Cl)cc1Cl)N1C(=O)/C(=C/c2ccc(OCC#N)cc2)SC1=S 726626458 CKNBFDCDCUEYHG-XACIZNRCSA-N 449.384 5.858 30 20 IKED N#C[C@H](C(=O)[C@H](OC1CCCC1)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 727039324 WKOYOTFYFFBUIJ-DYESRHJHSA-N 444.478 6.192 30 20 IKED Cc1ccc(-c2nnc([C@H](C)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)o2)cc1 728062411 NJBIGXCGDOQPPD-KRWDZBQOSA-N 444.922 6.322 30 20 IKED O=S(=O)(Oc1ccc2ccc(C(F)(F)F)nc2c1)c1ccc(F)cc1C(F)(F)F 728584752 AOLPBHDHXCEXBJ-UHFFFAOYSA-N 439.308 5.179 30 20 IKED N#C[C@@H](C(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1nc2cc(Cl)ccc2s1 729891089 AWBVXQXYRMUJMB-NSHDSACASA-N 434.830 5.195 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1c(Cl)c2ccccc2n1C 731070950 YMEFCWWPVHFCFE-CQSZACIVSA-N 441.940 5.021 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2cccs2)Cc2cccs2)cc1 733621318 JMTVWICMOQPMDK-XMMPIXPASA-N 443.597 6.699 30 20 IKED C=CC[C@@H](NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1ccncc1 734461709 ZIFBSFNMFGENPT-OAQYLSRUSA-N 440.330 5.688 30 20 IKED C=CC[C@H](NC(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1)c1ccncc1 734660966 XQKUAXSRUCNKMG-QHCPKHFHSA-N 429.524 5.151 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCCc3ccc(Cl)cc3C2=O)cs1 735232802 UMJMZUGVFJDICB-LDADJPATSA-N 436.964 6.392 30 20 IKED N#C[C@@H]1CN(C(=O)c2cccc(CSc3c(Cl)cccc3Cl)c2)CCN1C1CC1 741562406 IMTRFGQEOYPYNY-GOSISDBHSA-N 446.403 5.098 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@@H](C)c1ccccc1C(F)(F)F 744029323 QWSIISPHSZGXET-GXTWGEPZSA-N 438.833 5.127 30 20 IKED N#Cc1ccsc1NC(=O)COC(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1 745117947 ZCQONLXDGWGQRX-UHFFFAOYSA-N 447.299 5.514 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2cc(C)c(C)cc2C)cs1)c1ccc(F)cc1F 745998822 PHIREIGHOXHIIA-SOFGYWHQSA-N 426.488 5.927 30 20 IKED Cc1ccc2[nH]cc(CCC(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2c1 747108768 RUWGEORFKMBPEE-GOSISDBHSA-N 427.476 5.071 30 20 IKED CC(=NNc1ncnc2scc(-c3ccc(F)cc3)c12)c1nnn(-c2ccccc2)c1C 747610402 CRCOQRLWYHYXCA-UHFFFAOYSA-N 443.511 5.223 30 20 IKED CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)N[C@H](CCC#N)c3ccccc3)cc2C1 748606902 LVUFMEHBIBBXST-JOCHJYFZSA-N 434.540 5.146 30 20 IKED CCC(CC)c1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)N[C@H](C)CC)cc1 749887987 BTLVYXPAYBZKHT-QGZVFWFLSA-O 440.633 5.247 30 20 IKED N#Cc1ccc(CC(=O)O[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1 750245525 BMXXGXDTXIHASO-QFIPXVFZSA-N 438.405 5.043 30 20 IKED COc1ccc(C[C@@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 759204787 DQGFTSPOOBWSTR-GCJKJVERSA-N 428.488 5.014 30 20 IKED C[C@@H](c1ccccc1)N1CC(=O)N(c2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1=O 771819624 QPKIIOXLJKBSPD-HTAPYJJXSA-N 429.907 5.525 30 20 IKED N#C[C@H](C(=O)c1cccc(C2OCCO2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 775226046 DCGHBUOQRHMKRV-MRXNPFEDSA-N 445.327 5.652 30 20 IKED CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H](NC3(c4cccc(C#N)c4)CC3)c3ccccc3O2)C1 777251150 GXURPRFSCHBOAH-ATIYNZHBSA-N 445.563 5.040 30 20 IKED Cc1cccc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)c1OC(F)F 777877859 CABPWLGVJQJBDV-UHFFFAOYSA-N 425.460 5.225 30 20 IKED C=CC[C@@H](OC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)c1ccccc1 778739876 TVGVPKULNDWKPE-RBUKOAKNSA-N 447.318 5.059 30 20 IKED Cc1cc(NC(=O)Nc2ccccc2O[C@H](C)C#N)nn1-c1ccc(Cl)c(Cl)c1 780642247 UJCKDOBEOPDTCE-CYBMUJFWSA-N 430.295 5.422 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 781034021 GUDHXUOQMLFDLK-INIZCTEOSA-N 428.517 5.398 30 20 IKED Cc1oc(-c2ccccc2F)nc1C(=O)OC[C@@H](C#N)Cc1ccccc1Br 786641056 QTKCANOHLSNZOC-CQSZACIVSA-N 443.272 5.091 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnn(Cc3ccccc3)c2Cl)cc1 796793201 PKEQVHGYBYKPGG-OXJNMPFZSA-N 434.927 5.059 30 20 IKED Cc1sc(Br)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1C 799308814 SXWLURMJNKKLEJ-GOSISDBHSA-N 425.351 6.035 30 20 IKED COc1ccc(NC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)cc1OCC(F)(F)F 801661114 NOSZXRXGWVPYRI-HNNXBMFYSA-N 425.300 5.304 30 20 IKED N#CCCC[C@@H](NCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)c1ccccc1 814659488 OKHBJLDZGOIRSQ-OAHLLOKOSA-N 445.177 6.263 30 20 IKED O=C(O)C1CCC(=NNc2ncnc3cc(-c4ccc(Br)cc4)sc23)CC1 814777552 TWVIKONAWGXEOL-UHFFFAOYSA-N 445.342 5.164 30 20 IKED N#Cc1ccc(Br)c(CNc2cccc(COCC(F)(F)C(F)F)c2)c1 864005519 ZSRGZVYRJXGWAC-UHFFFAOYSA-N 431.227 5.350 30 20 IKED C=CCn1c(Sc2ccc(C(F)(F)F)c(Cl)n2)nnc1-c1ccccc1OC 913408873 JUDAWAKBGBRDAE-UHFFFAOYSA-N 426.851 5.358 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1 915088101 ZKCXFGZHFPNXML-IBGZPJMESA-N 438.314 5.017 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=S)NCCSc2ccc(Cl)cc2)cc1 915124449 IZOXIBZOCZMBFB-JOCHJYFZSA-N 438.021 6.074 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(F)cc2C(F)(F)F)cc1 915349984 DXEWPTSPIMAYFU-FQEVSTJZSA-N 427.401 5.822 30 20 IKED CCOc1cccc2cc([C@H](C)NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)oc12 915353906 ZIUKSRHRZZPBLZ-FDDCHVKYSA-N 439.515 6.370 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNCc2cccc3cccnc23)cs1 915959985 VRFMONMLOBWWSB-UHFFFAOYSA-N 435.940 5.153 30 20 IKED N#C[C@@H](C(=O)CCc1ccc(-c2ccccc2)o1)C(=O)Nc1ccc(SC(F)F)cc1 916886522 HNCPTONDRDTGIR-IBGZPJMESA-N 440.471 5.541 30 20 IKED N#C[C@H](C(=O)CCc1ccc(-c2ccccc2)o1)C(=O)Nc1ccc(SC(F)F)cc1 916886523 HNCPTONDRDTGIR-LJQANCHMSA-N 440.471 5.541 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 916903245 QFJSZHFSFVVFAA-CRAIPNDOSA-N 442.943 5.069 30 20 IKED Cc1ccc(/C=C\C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c(Br)c1 917041040 OFPPCYDXHSUMFM-CKXPSTMWSA-N 430.252 5.392 30 20 IKED N#C[C@H](C(=O)CCCOc1ccccc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1 918489985 OUYVZGQTNRXKLE-OAHLLOKOSA-N 449.334 6.291 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@H]2c2ccc(C)c(C)c2)c1=S 920485805 BAXREVOTOVRNCW-QFIPXVFZSA-N 434.609 5.687 30 20 IKED COc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1Cl 920806898 SBBXPQROKFSCJE-ZDUSSCGKSA-N 432.879 5.559 30 20 IKED CC(=O)Nc1cccc(NC(=S)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 920994037 KPQSTMJBUYYKCX-UHFFFAOYSA-N 432.524 5.055 30 20 IKED C[C@H]1CCC[C@H]1C(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1789207993 QADPSRXAWHGZFL-DAZOGFOGSA-N 436.577 5.057 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc4ncncc4c3)cc2)CCC1 1789323973 UFEMFZUDVVDHRT-UHFFFAOYSA-N 442.563 5.370 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3c(C(F)(F)F)coc3C)CCC2)cc1 1791582650 HXTULHSPDBOPPF-UHFFFAOYSA-N 432.442 5.158 30 20 IKED Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)o1 1791950031 VMEJCGPHZLWVPE-GOSISDBHSA-N 441.531 5.206 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccc(Cl)cc2)CC1 1801519832 OCIHENQQWRVWLU-WKCHPHFGSA-N 429.004 5.002 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ccoc23)[nH]n1 1819308897 GWZMRHWFLHVRAC-GHTZIAJQSA-N 432.524 5.230 30 20 IKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)[nH]n1 1821988011 YWMASWWWWCVCMC-GOSISDBHSA-N 436.547 5.220 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CC[C@H](CC)CC3)CC2)CC1 1838424636 RGUDCPNTIGLVHF-HZCBDIJESA-N 446.676 5.194 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2ccc(Cl)cc2)cc1 10831726 XDMYQZPSXFGRAL-UHFFFAOYSA-O 440.932 5.149 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(\S)Nc2ccc(Cl)c(Cl)c2)c1 11159128 UXFZBKNFVIQRQB-UHFFFAOYSA-O 447.411 5.596 30 20 IKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(C(C)(C)C)cc2)c1 22729745 GJPMJEUEMIDPTQ-UHFFFAOYSA-O 445.652 6.556 30 20 IKED C[C@@H](NC(=O)c1ccccc1C(=O)c1ccc(Br)cc1)c1ccc(C#N)cc1 26126871 PIXQEGWNTWUAGY-OAHLLOKOSA-N 433.305 5.043 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CSCc1ccc(Br)cc1F 64907544 TUKLHWFZUDODBQ-UHFFFAOYSA-N 435.362 5.130 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cccc(OC(F)F)c2)cc1 65369168 JOTWONKLGNYEJW-UHFFFAOYSA-N 437.446 5.255 30 20 IKED C=CCN(C(=O)CSc1nccs1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 71971630 SAHHQHHOJULYQQ-UHFFFAOYSA-N 442.418 5.885 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3csc(-c4cccs4)n3)s2)cc1 104957036 DMUSVAGTISOPPA-UHFFFAOYSA-N 441.588 5.139 30 20 IKED Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nc(C)c(SCC#N)s2)c1 107900602 VEDUQXJTNQSORT-UHFFFAOYSA-N 445.573 5.481 30 20 IKED CCOC(=O)C1C/C(=C/c2ccc3ncccc3c2)C(=O)/C(=C\c2ccc3ncccc3c2)C1 207763040 HZOPUFXPYVPSHQ-MPKYGIEOSA-N 448.522 5.792 30 20 IKED CC[C@H](C#N)Oc1cc(CNCc2ccc(-c3nc4ccccc4s3)o2)ccc1OC 236900387 ADPKMCNYHLYWMF-QGZVFWFLSA-N 433.533 5.536 30 20 IKED C=CCn1c(Sc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccncc1 302921543 NMDAUARVGXHREY-UHFFFAOYSA-N 441.822 5.258 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 409524119 WQACWBYRVVCTOQ-LADGPHEKSA-N 442.515 5.205 30 20 IKED C=CCCc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 410376098 TUHNJGOGWUWRGO-UHFFFAOYSA-N 439.309 5.665 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(Cc2ccc(F)cc2)CCOCC1 431937841 LDOAXFFALKGPPW-UHFFFAOYSA-N 445.494 5.171 30 20 IKED CCOc1cc(CN(C)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)ccc1OC(F)F 435560447 NCULKUCFMUKFAZ-UHFFFAOYSA-N 433.455 5.009 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H]2CCCN2C2CCCCC2)cc1 436353619 SSKDTQCEDRBBPY-XMMPIXPASA-N 446.595 5.250 30 20 IKED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1C 436382814 KLVDLSIQLHLPKX-UTKZUKDTSA-N 427.932 5.003 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(Cc1cccs1)C(C)C 437169350 ZJSXHJMOLKOBCH-UHFFFAOYSA-N 433.533 5.096 30 20 IKED CCOc1ccc(Br)cc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 437958153 SPKISNZPTOFPFB-MJGOQNOKSA-N 428.330 5.151 30 20 IKED COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)N[C@H](CCC#N)c1ccccc1 438836062 DYFYPXBFRBNIST-UXHICEINSA-N 442.357 5.349 30 20 IKED Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)NCC3CCC(C#N)CC3)c12 441143689 IESKWRKJDFTXLF-UHFFFAOYSA-N 442.441 5.277 30 20 IKED N#Cc1cc(NC(=O)c2cnc3ccccc3c2C(F)(F)F)ccc1OC(F)(F)F 441527527 WXTWRCQCRGISKB-UHFFFAOYSA-N 425.288 5.276 30 20 IKED C=CCC[C@@H](NC(=O)c1cccc(COC2CCOCC2)c1)c1ccc(C(F)(F)F)cc1 441587651 HJPMXSLZRPMYRI-HSZRJFAPSA-N 447.497 5.838 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3[nH]ccc3-c3c(Cl)cccc3Cl)CC2)cc1 442732846 ASVKEKFCARVOEB-UHFFFAOYSA-N 440.330 5.544 30 20 IKED CCO[C@@H](C)c1ncc(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)s1 443898666 QSMURCLHTPWUMA-HNNXBMFYSA-N 425.941 5.613 30 20 IKED C=C(C)[C@H](NC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1)c1ccc(F)c(F)c1 446180728 ZVTJTOBLRPWYMD-SFHVURJKSA-N 447.894 5.114 30 20 IKED C=CCn1c(SCc2cncc(OCc3ccccc3)c2)nnc1-c1ccccc1OC 447112177 UVQDKHRFELQVIJ-UHFFFAOYSA-N 444.560 5.406 30 20 IKED C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 460368056 GWTOZPUMIYBFJO-FQEVSTJZSA-N 442.567 5.071 30 20 IKED Cc1ccc(C(=O)N(CCC#N)CC2CC2)cc1OCc1csc(Br)c1 460873956 MXFKVSLFDBVSSW-UHFFFAOYSA-N 433.371 5.164 30 20 IKED Cc1ccc(SC2CCCC2)c(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 470848915 WANJOYAKURSYBS-UHFFFAOYSA-N 447.604 5.865 30 20 IKED N#C[C@H](C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)c1nc2ccccc2n1C(F)F 472374971 QJZRREMUOSVTHV-CQSZACIVSA-N 445.351 5.126 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccccc3Oc3ccccc3Cl)CC2)o1 472930163 TWCMGEGNOVFHNV-UHFFFAOYSA-N 436.899 5.156 30 20 IKED CC(C)OCc1ccccc1CNC(=O)CNc1cccc(Oc2ccc(C#N)cc2)c1 476389113 NLDRCCZVWWAWRI-UHFFFAOYSA-N 429.520 5.004 30 20 IKED C=CCc1cc(CNCc2cc(-c3c(OC)ccc4ccccc34)no2)cc(OC)c1O 478304697 QDTGDJIJYUKUAK-UHFFFAOYSA-N 430.504 5.236 30 20 IKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 479197695 VHYOHFPJBWKWHT-YMTQGWHGSA-N 445.485 5.670 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(OC)c(OCC(F)(F)F)c1 480475999 HLHRGIPXQAPKOD-UHFFFAOYSA-N 434.867 5.571 30 20 IKED N#C[C@H](C(=O)c1ccc(COc2ccc(Br)cc2)o1)c1nccc2ccccc12 483191252 DWUWJXUWCDEWKW-FQEVSTJZSA-N 447.288 5.659 30 20 IKED CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)N[C@H](c1cc(F)ccc1F)C(F)F 483770499 CQRVBFHLMOUQBT-MRXNPFEDSA-N 438.343 5.054 30 20 IKED C=CCN(C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 494083590 PKEDETGFLFXNHI-MOPGFXCFSA-N 439.924 5.694 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)cc1Cl 494533645 QWTFVZFDVAWTAX-GOSISDBHSA-N 432.804 6.406 30 20 IKED C[C@@H](NC(=O)Nc1cc(Cl)cc2c1OCC(=O)N2)c1ccc(-c2cccc(C#N)c2)cc1 495588751 BGICVJXSEVUKKN-CQSZACIVSA-N 446.894 5.092 30 20 IKED COc1ccc(OCCS[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 496591002 HUBRMLXTXYGXSA-OAHLLOKOSA-N 430.595 5.036 30 20 IKED C=CCN(Cc1nnc(-c2ccccc2Cl)o1)Cc1cc(Br)ccc1F 502173914 OZNMNPYLVPJGKU-UHFFFAOYSA-N 436.712 5.480 30 20 IKED CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1 502567494 BWCCOMSFRBJMCZ-QGZVFWFLSA-N 446.381 5.379 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCCOc2cccc(C(C)=O)c2)cc1 505625308 ZECXUIIHZOWQGV-UHFFFAOYSA-N 444.487 5.359 30 20 IKED N#C[C@H](NC(=O)c1cccnc1SCc1ccc(F)cc1)c1cccc(C(F)(F)F)c1 505971678 QQPSTOPZFMKIMN-IBGZPJMESA-N 445.441 5.526 30 20 IKED C=C(C)CN(CC)C(=O)[C@H](C)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 507507945 HWLBKXMXPQMGOJ-INIZCTEOSA-N 433.474 5.183 30 20 IKED N#CC1(c2ccccc2)CCC(NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 507661493 UVZWUHSNBAVVJQ-HRRASNIPSA-N 438.413 5.269 30 20 IKED COc1cc(CNC2CCC(Oc3ccc(C#N)cn3)CC2)ccc1OCc1cccs1 507747466 LCUYDBOLBYQMPQ-UHFFFAOYSA-N 449.576 5.082 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3ccc(Oc4ccncc4)c(Cl)c3)CC2)c1 510847937 VUFVULQQNCSFCU-UHFFFAOYSA-N 433.895 5.083 30 20 IKED C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 510999285 MXNDEBUPCMYONZ-OAHLLOKOSA-N 432.351 5.049 30 20 IKED COc1ccc([C@H](NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C2CC2)cc1 511467809 ZQGRZYIULDBGTJ-XMMPIXPASA-N 440.503 5.092 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](NC(=O)c1ccc(F)cc1)C(C)C 511572070 DAJUQKNQOYMOIC-XMMPIXPASA-N 445.494 5.191 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(CN3CCSCC3)cc2)cc1 511695654 KBXREBLBHSDGEY-UHFFFAOYSA-N 429.545 5.152 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1 513238707 PEXGNMRHIHVJLS-DEOSSOPVSA-N 438.487 5.117 30 20 IKED N#Cc1ccc(Cl)c(C(=O)NC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)c1 513275486 GCFIPTHXCRNLMK-UHFFFAOYSA-N 446.934 5.226 30 20 IKED C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nnc(-c2ccccc2F)s1 514232602 NQNHQALYQVUILP-SJORKVTESA-N 428.536 6.295 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 516837466 ZNQZDILPPGLAOS-INIZCTEOSA-N 441.447 5.790 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(NC(=O)c4ccco4)c3)n2)cc1 517801077 XBCHVOKWRFEGLH-IBGZPJMESA-N 443.484 5.154 30 20 IKED C[C@H](c1ccccc1F)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 518104554 FOEKLAMVLDSGGJ-IERDGZPVSA-N 449.913 5.293 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(OCc2ccccn2)cc1 518752855 ALJLKITYTPEYAS-GOSISDBHSA-N 432.549 5.377 30 20 IKED C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 518921149 KWQMEISLIITIAB-ODIFPOPNSA-N 433.335 5.139 30 20 IKED CC(=O)c1cccc(OCCCC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1 521218827 UHOZTQQDTYPJGO-UHFFFAOYSA-N 444.506 5.601 30 20 IKED N#C[C@H](C(=O)c1oc2ccccc2c1CSc1ncccn1)c1nc2ccccc2s1 523251054 GEDXEQQGMJTVKS-OAHLLOKOSA-N 442.525 5.615 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1nc2ccccc2n1C(F)F 523458412 CMUYCFHQUAJNQX-CQSZACIVSA-N 445.351 5.126 30 20 IKED Cc1ccc(-c2ccsc2C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 523668245 PUPOEELAKYWMBN-UHFFFAOYSA-N 429.545 5.086 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCCc3nnc(-c4ccccc4)o3)cc2)c1 524387336 YRTXTCNMMQLKIX-UHFFFAOYSA-N 438.487 5.149 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl 525167006 IRVJBNQGRFVRDB-OAHLLOKOSA-N 444.000 6.361 30 20 IKED COc1cc(CN(Cc2ccccc2)Cc2cc[nH]n2)ccc1OCc1cccc(C#N)c1 533282239 CUERSMKHJCSDBF-UHFFFAOYSA-N 438.531 5.071 30 20 IKED C=C[C@H](CC(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C)c1ccccc1 536181793 WVUOALFPQQYZGX-JIPXPUAJSA-N 447.600 5.272 30 20 IKED CC(C)N(Cc1ccc(NC(=O)N(C)Cc2cccc(C#N)c2)cc1)C[C@@H]1CCCCO1 538239875 PQGMAQYQDAOSAY-VWLOTQADSA-N 434.584 5.002 30 20 IKED N#Cc1ccccc1CSCCNC(=O)c1ccc(Br)cc1C(F)(F)F 538449288 SPXVPMURTYTHIN-UHFFFAOYSA-N 443.288 5.003 30 20 IKED CCOc1ccc([C@H](NC(=O)Nc2cc(C)n(CCC#N)n2)c2cccc(Cl)c2)cc1 539717697 HKSBGTWVRLMLEC-QFIPXVFZSA-N 437.931 5.068 30 20 IKED CCN(CC)C(=O)Nc1ccc([C@H](C)NCc2ccc(-c3ccccc3C#N)cc2)cc1 540319346 ZEZLBXIXXYJMMM-FQEVSTJZSA-N 426.564 5.950 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)c3cnc4ccccc4c3C(F)(F)F)n2)c(Cl)c1 541109349 YZIGRZWMWNYNEO-UHFFFAOYSA-N 441.800 5.217 30 20 IKED N#C[C@H](C(=O)c1ccccc1C(=O)c1ccc(F)c(F)c1)c1ccc(C(F)(F)F)cn1 541200272 IFGLPTGVASNUQH-INIZCTEOSA-N 430.332 5.100 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 541354640 VTKNWIFEILSBIQ-UHFFFAOYSA-N 447.878 5.153 30 20 IKED C=CCSCCNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 542819481 CHANVIRRDGZRJD-VKAVYKQESA-N 439.562 5.171 30 20 IKED C[C@H](NC(=O)C(C)(C)NC(=O)Nc1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 542988466 GXIFNZPXLLOUOV-SFHVURJKSA-N 426.520 5.003 30 20 IKED CN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 543519198 XITNQPAMIKVTNC-AZGAKELHSA-N 444.506 5.269 30 20 IKED CC[C@H](CC#N)NC(=O)c1ccccc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 545174295 DMECDNABYHCJCD-OAHLLOKOSA-N 436.364 5.146 30 20 IKED C=CCOc1ccc(CN[C@@H](c2ccc(Cl)cc2)C2C[C@@H]3CC[C@H](C2)N3C)cc1OC 548993456 MCSVOHXIQYGDMG-QTYCCTLYSA-N 441.015 5.617 30 20 IKED Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H](c3ccccc3C(F)(F)F)C(F)(F)F)c[nH]c12 561245055 XDUWFRJLPUYVKC-KRWDZBQOSA-N 446.322 5.028 30 20 IKED C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 565840606 YXXHJMCLDSVKFD-QHCPKHFHSA-N 446.595 5.229 30 20 IKED C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1c1nc2ccccc2s1 567968465 JRZKKINZBGRSHG-APWZRJJASA-N 449.555 5.694 30 20 IKED CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 568015296 CWOHDDWTBGZAEZ-RPCJCACASA-N 445.485 5.047 30 20 IKED N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 568915071 LRJOYWBMSSDZMH-MRXNPFEDSA-N 437.343 5.120 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc2c(c1)nc(Cc1cccs1)n2C 580227148 RKMMAELZSWREDV-INIZCTEOSA-N 446.601 5.872 30 20 IKED N#Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)c(F)c1 588762754 NIGCVIXYGYLCNO-UHFFFAOYSA-N 434.927 5.950 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccccc2CC#N)c(OC)c1 588988055 JITCUWFNPXIMNE-UHFFFAOYSA-N 439.515 5.489 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCCC[C@H]3c3nnc(C4CCC4)o3)cn2)cc1 588993160 CPUGKLQXZVLELH-FQEVSTJZSA-N 444.495 5.155 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccco2)nc2ccccc12)c1nc2ccccc2n1C(F)F 591862037 KGKHQYRGFXOKSF-MRXNPFEDSA-N 428.398 5.730 30 20 IKED C=CCN1CCC(NC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)CC1 592524159 NBTRIMMOWYDOPS-UHFFFAOYSA-N 430.346 5.013 30 20 IKED O=C(c1cccc(COc2cccc(F)c2)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 603829500 SQRZBBWOBSTRRS-HOTGVXAUSA-N 449.366 5.608 30 20 IKED CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 604090614 ZAYCTRHARIFNMP-OAHLLOKOSA-N 448.910 5.845 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCc2sccc2[C@@H]1c1cccs1 604165296 AAKXITUIVOGRKK-HXUWFJFHSA-N 446.519 5.537 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 606768982 GWKLDWPJJCABGL-UHFFFAOYSA-N 438.409 5.232 30 20 IKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3cc(C#N)ccc3OC(F)F)cc12 609067606 HQRUNQVXQHPZQS-UHFFFAOYSA-N 442.422 5.260 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3coc(-c4ccccc4)n3)cc2F)c1 609103950 KQZHNMJLQWBXMW-UHFFFAOYSA-N 427.435 5.113 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCCn3cnc4ccccc43)cc2F)c1 609110720 PNNNTRDVMCTZAS-UHFFFAOYSA-N 428.467 5.045 30 20 IKED N#CCn1c(C(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)cc2ccccc21 609175650 RXEGBMBDXXNLJZ-UHFFFAOYSA-N 425.454 5.769 30 20 IKED C[C@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)CSc1ccc(C#N)cc1 609192337 RTAGJTVOIJWKEB-HXPMCKFVSA-N 433.396 5.012 30 20 IKED C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(NC(=O)C2CC2)cc1 609208813 GZJKIKUSBICFGR-QGZVFWFLSA-N 440.503 5.582 30 20 IKED N#Cc1ccccc1-c1ccc(CSCc2ccc(S(=O)(=O)N3CCCC3)o2)cc1 609390092 MIUATTNKRSZDSN-UHFFFAOYSA-N 438.574 5.036 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 609682117 ASJLHMAPGDBYGA-WBVHZDCISA-N 448.514 5.358 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)c1 609722259 OAPSBJMSVXTTFA-UHFFFAOYSA-N 445.906 5.492 30 20 IKED Cc1nc2c(s1)[C@H](N(C)C(=O)c1cccc(Oc3cccc(Cl)c3C#N)c1)CCC2 609724994 YOONXSQBPFGJKW-HXUWFJFHSA-N 437.952 5.919 30 20 IKED CC(=O)Nc1cccc2c1CCN(C(=O)c1cccc(Oc3ccc(Cl)cc3C#N)c1)C2 609730158 PQIPSHJBLDVFRP-UHFFFAOYSA-N 445.906 5.161 30 20 IKED CCOc1cc(N[C@@H](C)c2ccc(C#N)cc2)c(OCC)cc1NC(=O)c1ccccc1 609825344 RWYITCWCFLLAJQ-SFHVURJKSA-N 429.520 5.781 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H](C)Cc2ccc(C(F)(F)F)cc2)c1C 610053650 FWNDRAAMIWZAPV-AWEZNQCLSA-N 426.442 5.197 30 20 IKED CC[C@](C)(NC(=O)c1ccccc1)c1nc(-c2cn(CCC#N)c3ccccc23)cs1 610150873 CVVDXKGOYQRJOO-VWLOTQADSA-N 428.561 5.734 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)NCc2ccc(C#N)cc2F)nc1-c1ccccc1 610500105 DNYVMTWULLBJSP-NRFANRHFSA-N 432.499 5.522 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2c(F)c(F)cc(F)c2F)cc1 610637285 GMDKMWXRYCSVLX-UHFFFAOYSA-N 430.426 5.337 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c(C)c2c1 611918810 YRNZTSIYEOMILS-UHFFFAOYSA-N 439.471 5.574 30 20 IKED N#C[C@H](C(=O)c1cc(Cl)c2c(c1)OCCCO2)c1nc(-c2ccc(Cl)cc2)cs1 613319174 UFUPLPWIPHIDKO-OAHLLOKOSA-N 445.327 5.768 30 20 IKED CSc1nc(C2CC2)cc(C(=O)NCCc2ccc(-c3csc(C)n3)s2)c1C#N 619208137 MCUSKSDVAGCHLF-UHFFFAOYSA-N 440.619 5.019 30 20 IKED N#C[C@H](C(=O)c1ccc(OCc2cccnc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 642281965 XOQNWXJYCKUKMJ-OAQYLSRUSA-N 445.931 5.928 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)c1ccc(OC(F)F)cc1 642288045 VHVGTUWCXFGOJC-HNNXBMFYSA-N 429.492 5.020 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 643098107 UXVQWVDSSCMCMR-MRXNPFEDSA-N 435.528 5.406 30 20 IKED O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 683055137 HPAAJKBWDGXPLZ-CKYFFXLPSA-N 440.281 5.201 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N[C@@H]1C[C@H]1c1c(F)cccc1F 684799623 YOFLSTXSMRAPCC-HFAYUQKSSA-N 430.339 5.029 30 20 IKED O=C(Nc1cc(Cl)c(Cl)cc1F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 685019711 YFPJUIYHLQNKGP-RNFRBKRXSA-N 441.174 6.164 30 20 IKED C#Cc1cccc(N2C(=O)/C(=C\c3csc(COc4ccccc4)n3)SC2=S)c1 726626368 FCCKAOCISFYTJO-XDHOZWIPSA-N 434.567 5.109 30 20 IKED COc1ccc(/C=C2/N=C(SC[C@H](C#N)CCC#N)N(c3cc(C)cc(C)c3)C2=O)cc1 726730652 OXNHKSISEVTUOA-BTVXTAIASA-N 444.560 5.233 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)cc1 727589225 OFKGVUVINNZZQL-JOCHJYFZSA-N 435.449 6.172 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@H](C)C(=O)Nc1c(C)cccc1C(C)C 728062570 NMNYPDRBXXTADQ-OAQYLSRUSA-N 441.575 6.317 30 20 IKED COc1cc(/C=C2\CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)cc(OC)c1OC 728439345 ZZAXULLGDZCEEL-XNTDXEJSSA-N 441.936 5.702 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1 729402956 IVCMYKXMBUAACT-UHFFFAOYSA-N 433.464 5.330 30 20 IKED Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 730375513 IUORYZBLSBKXTH-QGZVFWFLSA-N 432.451 5.291 30 20 IKED O=C1/C(=C/c2cnn3ccccc23)CCc2nc(-c3ccccc3Br)sc21 730435521 BSOGGJXWPLKOAX-ACCUITESSA-N 436.334 5.433 30 20 IKED Cc1nc(-c2ccc3ccccc3c2)n(CC(=O)Nc2ccccc2SC[C@H](C)C#N)n1 731029623 ZHIYCNPMSZODRA-QGZVFWFLSA-N 441.560 5.297 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC([C@H](O)c4ccc(F)cc4)CC3)c2)cc1 731107309 BYSRIECQZJCVNH-RUZDIDTESA-N 445.494 5.467 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3C(F)(F)F)cc2)nc1 732071919 QBFMJXNEINQRJT-OAQYLSRUSA-N 437.421 5.742 30 20 IKED Cc1ccc(NC(=O)[C@@H](OC(=O)Cc2ccc(OCC#N)cc2)c2ccccc2)cc1Cl 732366294 XNIAVBHUPSYBGJ-DEOSSOPVSA-N 448.906 5.017 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)C3CCOCC3)cn2)c1 734644776 VQTHXICGQAIACM-DEOSSOPVSA-N 428.492 5.035 30 20 IKED C=CC[C@@H](NC(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccncc1 734661418 MHSYBGIMSIYEDZ-UZUQRXQVSA-N 432.499 5.151 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)NCc2ccc(-c3cccc(C)c3)cc2)ccc1OC 735577255 QYAJMZSMFJQKPW-XMMPIXPASA-N 443.547 5.351 30 20 IKED COCC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1cccc(C(F)(F)F)c1 735612315 MLRMMBGTCYGMDF-UHFFFAOYSA-N 428.336 5.130 30 20 IKED COc1cc(/C=C(/Cl)c2ncc(-c3ccccc3Br)o2)ccc1OCC#N 741843187 OIBQLFRDAPNWRI-MHWRWJLKSA-N 445.700 5.752 30 20 IKED C[C@@H](C#N)Oc1ccc(CN[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1 742382994 QPODAOWSBXCUSL-SSOJOUAXSA-N 434.923 5.281 30 20 IKED COCCN(Cc1ccc(C)cc1C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 746658944 IKHLHPIDEFLIDN-AREMUKBSSA-N 427.548 5.639 30 20 IKED C[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)C(=O)c1cccc(F)c1 747108892 MLMAKHWOSZAUCE-SCLBCKFNSA-N 426.900 5.688 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(COC(=O)c2ccc(Cl)c(C#N)c2)cs1 754919729 RXKKXRPSPBNNNJ-UHFFFAOYSA-N 446.315 5.363 30 20 IKED N#Cc1ccc(CSCC(=O)O[C@H](c2cccnc2)c2cccc(C(F)(F)F)c2)cc1 759593365 YQRBOCQYPCLPQJ-QFIPXVFZSA-N 442.462 5.538 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)[C@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 760791414 BWXFJGJLYXCWHW-OAQYLSRUSA-N 444.890 5.993 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3nnc(-c4ccc(Cl)cc4)o3)n2)cc1 762070084 WCPVMVKMGUJQME-GOSISDBHSA-N 448.935 5.631 30 20 IKED N#CCOc1ccc(CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)cc1 765334438 YKDXWJRMKBAVQD-UHFFFAOYSA-N 436.924 5.434 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2coc3c(C)cc(Br)cc23)cc1 770847368 NVAIJIFLPZWTQR-KRWDZBQOSA-N 425.282 5.027 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)Nc2ccc(N3CCSCC3)cc2)cc1 774045938 ZQQMJFIBVQWBMQ-UHFFFAOYSA-N 428.561 5.100 30 20 IKED COc1ccccc1[C@H](NC(=O)Nc1ccccc1O[C@@H](C)C#N)c1ccccc1Cl 780676942 BEMDJVWKLQSVAL-QMHKHESXSA-N 435.911 5.551 30 20 IKED CC(=O)c1ccc(Oc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)cc2)cc1 783352783 IJTALMGPLICFQW-HXUWFJFHSA-N 432.863 5.296 30 20 IKED COc1ccc(/C=C(/C)C(=O)[C@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1F 787048609 GTIYUMVSCSOPTR-XGCIQTSOSA-N 449.309 5.131 30 20 IKED N#C[C@H](C(=O)Cc1cccc(OCc2cccc(Cl)c2)c1)c1cnc2ccccc2n1 792102069 VRUVRXWNWROHTK-NRFANRHFSA-N 427.891 5.281 30 20 IKED CC(=NNc1ncnc2scc(-c3ccc(C)cc3)c12)c1ccc(C(=O)N(C)C)cc1 792939934 KIQZOEVPFVTQKT-UHFFFAOYSA-N 429.549 5.205 30 20 IKED Cc1sc(Br)c(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)c1C 799601999 CUQQKAQLIVLCFX-OAHLLOKOSA-N 427.323 5.242 30 20 IKED Brc1ccc(-c2cc3ncnc(NN=C4CCC45CCOCC5)c3s2)cc1 799873664 KNTAKOWLKNMWBK-UHFFFAOYSA-N 443.370 5.479 30 20 IKED O=C([C@H](F)c1ccc(C(F)(F)F)cc1)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 801965004 JRIQCPVJPVZPFE-QGZVFWFLSA-N 449.366 5.245 30 20 IKED COc1cc(/C=C2/SC(=S)N(c3c(C)cc(C)cc3Cl)C2=O)ccc1OCC#N 814297141 LKGCZBFEFGZNFD-WOJGMQOQSA-N 444.965 5.274 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cc2c(s1)CCCCCC2 916902533 ZIZDQWOVAMUMSE-HNNXBMFYSA-N 430.957 5.339 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 916903614 UYKCBLTYHUASEN-ACJLOTCBSA-N 449.938 5.224 30 20 IKED C[C@H](Oc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cn1)c1ccccc1 916918208 KCXTVKWXODQFCH-MBSDFSHPSA-N 435.483 5.336 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3cc(Br)ccc3o2)cc1 916948840 KCCPWIQONCFNNB-SCLBCKFNSA-N 439.309 5.670 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(CSc3ccc(C)cc3C)c2)cc1 916954254 YINNVAHIOMQRHY-QHCPKHFHSA-N 444.556 5.566 30 20 IKED Cc1ccc(Oc2ccc(OCC(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cc2)cc1 917041673 WENZKMLQCXCQMP-HXUWFJFHSA-N 447.441 5.787 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc3ccccc3c2)cs1 917561983 SPPUDPWSMSWIRS-RAXLEYEMSA-N 432.932 6.530 30 20 IKED CCOc1ccc(OC(C)(C)C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 920140886 CPCMGZOLDLYKOV-FQEVSTJZSA-N 436.533 5.251 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(-n3nccc3-c3ccccc3)c2)cc1 920324990 WUGRFZQAKUTNDV-DEOSSOPVSA-N 434.499 5.063 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5ccoc5c4)cc3)CCC2)cc1 1790892352 HIQDFDWVQGLXCP-UHFFFAOYSA-N 435.483 5.366 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccc4occc4c3O)cc2)CCC1 1790931238 UWKCCXOBNWEPLY-UHFFFAOYSA-N 440.446 5.098 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccc(OC)cc3)CCC2)cc1 1791243983 HOSPAQORDZQCIX-NTUVXCKYSA-N 432.564 5.145 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2C2CC2)[C@H]1c1cccnc1 1813758075 SYHWRTZKOHUQSJ-PPJWLVRDSA-N 443.591 5.047 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ccccc23)[nH]n1 1819306069 WDCGCQFJXKQLIB-GBXCKJPGSA-N 442.563 5.637 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ccccc23)[nH]n1 1819306070 WDCGCQFJXKQLIB-HYBUGGRVSA-N 442.563 5.637 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(F)cc2)[nH]n1 1819556724 LFVPGVJBVKRFSH-OAQYLSRUSA-N 440.563 5.166 30 20 IKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/C3CCCCC3)n[nH]2)c1 1820906208 ABXCHDDKSNXLCQ-BREAQWACSA-N 445.567 5.032 30 20 IKED CCC[C@H]1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)CC1 1822101658 YXMHUYXATJRXOH-KKLQWCBXSA-N 447.583 5.194 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccsc2)CC1 1827103198 MQUNAIJHWJUCTB-DHIUTWEWSA-N 428.642 5.069 30 20 IKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C)c3ccccc23)CC1 1832997547 CZOOVNLOSWGWFU-MHZLTWQESA-N 444.619 5.114 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)C1 1845671633 RCXWDYMEOOHLKV-HXUWFJFHSA-N 443.547 5.013 30 20 IKED C=CCn1c(SCC(=O)N(Cc2ccccc2)Cc2ccco2)nnc1-c1ccccc1 11055899 OEIWLJHGRCWMFG-UHFFFAOYSA-N 444.560 5.045 30 20 IKED CCN(CC)c1nc2sc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc2s1 62676451 ZIVIJIWFEXWCOX-LLVKDONJSA-N 447.010 5.957 30 20 IKED CCc1c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cnn1Cc1ccccc1 97392290 YMSFOQQRKIQKEQ-UHFFFAOYSA-N 437.503 5.114 30 20 IKED Cc1ccc(-c2nnc(SCC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)o2)cc1C 115371302 SIDNNCLIUMMHRP-UHFFFAOYSA-N 440.956 5.354 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)nnc1-c1ccccc1F 195569452 SNZGTMHRYZHRMX-IRXDYDNUSA-N 438.572 5.903 30 20 IKED CCO[C@@H](C)c1nc(CC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cs1 217228008 PMYUFQBFLRGRGB-KRWDZBQOSA-N 435.549 5.067 30 20 IKED N#CCCn1cc(CNCc2ccccc2CN2CCCCCC2)c(-c2ccccc2)n1 237831470 MTMRTODGCOBRMK-UHFFFAOYSA-N 427.596 5.130 30 20 IKED C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 303199314 HDBGPHRGGJMNNU-AWEZNQCLSA-N 435.376 5.416 30 20 IKED N#Cc1c(NC(=O)CCN2CCSC[C@H]2c2ccccc2)sc2c1CCCCC2 303742181 YQQGTMQAGWOYPQ-FQEVSTJZSA-N 425.623 5.007 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)cc1 409581731 MLWNLMJEBZFYNC-BVAGGSTKSA-N 426.516 5.035 30 20 IKED Cc1nccn1-c1ccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1F 409806364 HRERGJQPUBYJFR-UHFFFAOYSA-N 441.466 5.306 30 20 IKED C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1nc(-c2ccccc2)cs1 410305362 XMAVADSAOSJSAT-QGZVFWFLSA-N 441.581 6.324 30 20 IKED Cc1nc([C@](C)(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)no1 432679594 IVBIBKRNLQEGDL-AUSIDOKSSA-N 435.915 5.134 30 20 IKED C[C@H](CC#N)Sc1ccccc1N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 433727094 FLAVBKNQCQVCRZ-RDTXWAMCSA-N 435.471 5.197 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)cc1F 438663864 FMDAWPMWNRYWMH-QGZVFWFLSA-N 448.473 5.277 30 20 IKED CC(C)N(Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(-c2ccccc2F)s1 441241684 YXUPRBFLCKHPFH-UHFFFAOYSA-N 432.524 5.886 30 20 IKED C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc(S(C)(=O)=O)cc1 442773902 DMUULSQDLRMQJI-OAHLLOKOSA-N 426.925 5.581 30 20 IKED N#CC1(c2ccc(-c3nc(CC(=O)Nc4ccc(Oc5ccccc5)cc4)no3)cc2)CC1 445371477 LRJIGHMDNBLGPZ-UHFFFAOYSA-N 436.471 5.265 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)Cc2csc(-c3cccc(C)c3)n2)c1C#N 445561221 YHABZJQLYQFJJZ-UHFFFAOYSA-N 445.573 5.079 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(Cl)c(Cl)cc2F)cc1C 466579655 TZWOSAHLQUITFV-UHFFFAOYSA-N 431.298 5.779 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cc1 467410306 GBIDIQUSGKMFRY-GOSISDBHSA-N 440.503 6.199 30 20 IKED N#C[C@H]1N(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)CCC[C@@]12CCCCO2 468672113 YEHNMYBBKXEUQO-GCJKJVERSA-N 446.334 5.248 30 20 IKED CC(C)n1cc(C#N)c(NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)n1 468879993 HGQPXITUZVBTKD-UHFFFAOYSA-N 445.954 5.563 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 469705823 NUAZZQRSVKKGHS-JKSUJKDBSA-N 427.545 5.749 30 20 IKED Cc1c([C@H](C)NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)oc2ccccc12 470536692 DTVFNHRSHFGFHG-KRWDZBQOSA-N 430.508 5.207 30 20 IKED Cc1cccc(I)c1C(=O)Nc1ccccc1SC[C@H](C)C#N 474690860 FYLUJSQEWXVQSA-GFCCVEGCSA-N 436.318 5.104 30 20 IKED Cn1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c(-c2ccc(Cl)s2)n1 474977788 XMEKNDQWXIPPTE-SNVBAGLBSA-N 433.345 5.555 30 20 IKED CC(C)(C#N)c1ccc(C(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)cc1 476291054 URPZSVVEQJLCDI-UHFFFAOYSA-N 437.952 5.385 30 20 IKED N#CCCn1cc(CNCc2nc(-c3cc4ccccc4o3)cs2)c(-c2ccccc2)n1 479407570 LYGUFLABHBRRSV-UHFFFAOYSA-N 439.544 5.623 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ccc(Br)s2)n1)c1nccc2ccccc12 483190954 DFTOTSMLYFBYET-CYBMUJFWSA-N 440.347 5.672 30 20 IKED N#C[C@H](C(=O)c1ccc(COc2cccc(Br)c2)o1)c1nccc2ccccc12 483199067 RNJXMCLIZYWNLV-FQEVSTJZSA-N 447.288 5.659 30 20 IKED Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(C)C 483253327 OSEKKACTWRRLEY-XMMPIXPASA-N 427.504 5.111 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nc(C(F)(F)F)cs1 488340671 ACMQMVCPWRFRPC-LBPRGKRZSA-N 432.427 5.709 30 20 IKED Cc1cc(C)cc(-c2nnc(SCC(=O)Nc3ccccc3S[C@@H](C)CC#N)o2)c1 488746613 GRYZTEROMUXTAG-INIZCTEOSA-N 438.578 5.479 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)[C@H]1OCCc2sccc21 494965707 ZBASJCUJNISKKR-WAIKUNEKSA-N 433.533 5.545 30 20 IKED N#C[C@@H](C(=O)c1ccc2c(c1)CCCC2=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 496092200 GVHWTMKENASIDK-KRWDZBQOSA-N 441.339 6.126 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC3(CC2)OCCc2ccsc23)cc1 498295644 IODYNPQOLUILAE-UHFFFAOYSA-N 443.572 5.060 30 20 IKED Cn1ccnc1SCc1cccc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)c1 499810029 IQPIMFQOXPCEBA-KRWDZBQOSA-N 431.348 5.014 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@H](C#N)c4ccccc4Cl)cc3)o2)cc1 499945400 FZWVEUSNNGWWRK-OAQYLSRUSA-N 428.879 5.360 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N(CCC#N)Cc1ccco1 502489597 SKEMKYFSJOBBBJ-UHFFFAOYSA-N 427.913 5.111 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3nccn3CC(F)(F)F)n2)o1 504504693 UPDNZTUYIFSHJV-UHFFFAOYSA-N 446.376 5.592 30 20 IKED N#Cc1ccc(Oc2ccc(-c3nc(-c4ccc(Oc5ccccc5)nc4)no3)cc2)nc1 504829591 YZTKSCZCWQKVKS-UHFFFAOYSA-N 433.427 5.650 30 20 IKED C=CCn1c(C2CCC2)nnc1N1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 508905160 YRYVTLXFESNKOI-GOSISDBHSA-N 435.597 5.248 30 20 IKED CN(C)Cc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 510003869 FVUUQXPDYKXKGW-HSZRJFAPSA-N 432.955 5.379 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](c1cccs1)N1CCCC1 510504421 AETBPPGUGCEVNP-QHCPKHFHSA-N 446.576 5.679 30 20 IKED Cc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 511419481 BVLKKNOITALHSH-AREMUKBSSA-N 425.532 6.009 30 20 IKED CCCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 511783684 CSZCWYUOECZUOF-UHFFFAOYSA-N 441.531 5.783 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@H]1CCc2ccccc2C1 512559295 KIQXYMXLWJPRLN-DEOSSOPVSA-N 425.532 5.467 30 20 IKED N#Cc1c(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)sc2c1CCCC2 514487938 IJADPSJTXOFMQR-QGZVFWFLSA-N 448.375 5.049 30 20 IKED CCc1noc(-c2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)c(Cl)c2)n1 515016135 APBVXCHPTWRPAX-UHFFFAOYSA-N 428.879 5.743 30 20 IKED C=CCOc1c(Br)cc(/C=C(\CC(=O)O)c2nc3ccccc3o2)cc1OC 515175234 RSVUEYCOKKDJIU-NTEUORMPSA-N 444.281 5.179 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)c12 515281961 DBHCOZWWQWEQTG-UHFFFAOYSA-N 431.584 5.541 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)CC1 517665408 BZPLQGPEXFUZDN-NSKBAKJYSA-N 428.454 5.187 30 20 IKED N#CC1(N(C(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)C2CC2)CCC1 517973360 GNLVBNWZCFWZTK-UHFFFAOYSA-N 448.876 5.084 30 20 IKED N#CCC[C@H](NC(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccccc1 518014964 KTPCXQQOCKMMLQ-KRWDZBQOSA-N 431.393 5.197 30 20 IKED C[C@H]1CN(c2ccccc2NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@H](C)O1 518028076 UVSDGGQHUMHUKR-ROUUACIJSA-N 445.494 5.356 30 20 IKED C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)c2)C1 518227100 XSNOWPKMSJWBRF-BWKNWUBXSA-N 447.579 5.447 30 20 IKED CCN(C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@@H](C)c1ccc(F)cc1 518571048 RHLVRYJXMUDEOM-KRWDZBQOSA-N 431.467 5.038 30 20 IKED COc1ccc(CNCc2cccc(OCc3ccccc3C#N)c2)cc1Br 520220162 ZPHOQOBAJJNMJD-UHFFFAOYSA-N 437.337 5.198 30 20 IKED N#CCCN(C(=O)CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1)c1ccccc1 521308864 FNHPMLMLTCXOHE-UHFFFAOYSA-N 444.362 5.211 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@H](C)C(C)(C)C)nnc1-c1ccc(Cl)cc1Cl 521347449 QHDROPAGBMZAJC-CYBMUJFWSA-N 441.428 5.423 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 521417730 SQDQXPFAGRYBIX-HXUWFJFHSA-N 428.536 5.213 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(COCCOc2ccccc2)c1 521418419 YYBVSMLLDADSBS-UHFFFAOYSA-N 443.547 5.596 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1OC 521616764 ZDLBGTLKSJSELA-JOCHJYFZSA-N 446.478 5.484 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(NC(=O)c2ccncc2)c1 521811139 VAKBBEAUSVYOHL-KRWDZBQOSA-N 445.548 5.050 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)c1 524383419 BTUADSMTGBIOCG-UHFFFAOYSA-N 446.784 6.299 30 20 IKED CN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccc(Br)cc1F 524501679 FJFKREIHOYAHOA-UHFFFAOYSA-N 439.284 5.315 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 525539014 GGDFXRBBEFQPIC-UHFFFAOYSA-N 447.922 6.241 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3ccc(Cl)c4cccnc34)c2)cc1 527377648 OIJRFADAQGKXRB-UHFFFAOYSA-N 442.862 5.129 30 20 IKED N#CCCN(C(=O)CN[C@H](c1ccc(F)cc1)c1cccs1)c1cccc(Cl)c1 532098996 DWLHENDLQFLFKR-JOCHJYFZSA-N 427.932 5.166 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCO[C@@H]3c3ccc(F)c(F)c3)cc2)cc1 537245846 APJVMZDZSDJBSE-DHIUTWEWSA-N 435.430 5.280 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)c3cc(OC(F)F)cc(OC(F)F)c3)n2)c1 537310797 HZGRBFYFEOITEZ-UHFFFAOYSA-N 437.374 5.137 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nn1-c1ccccc1Cl 537381852 RUQXAUCWMKVWRI-QGZVFWFLSA-N 443.919 5.319 30 20 IKED C=CCOc1cccnc1C(=O)N(C)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 539293549 LNAUVKUSZYDHTB-UHFFFAOYSA-N 429.398 5.129 30 20 IKED N#CC1(c2ccc(C(=O)NCc3csc(-c4ccc(C(F)(F)F)cc4)n3)cc2)CC1 540769839 HXTNZJBYNPZMKM-UHFFFAOYSA-N 427.451 5.314 30 20 IKED CC(C)N(Cc1ccc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1)C[C@H]1CCCCO1 541032739 HUBBYBLZEFUICX-CJFMBICVSA-N 434.584 5.220 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(OC(C)(C)C)cc1)c1ccc(-c2cccc(C#N)c2)cc1 542994292 KAFJGRWHXGUTFZ-SFHVURJKSA-N 441.531 5.218 30 20 IKED C[C@H](NC(=O)C1(c2ccc(F)cc2)CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 543855573 DPFANLDLPNHECA-IBGZPJMESA-N 428.507 5.290 30 20 IKED Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1cc(Cl)ccc1Cl 544227501 NDVUGOACWBBOMO-NRFANRHFSA-N 438.314 5.018 30 20 IKED N#Cc1cccc(-c2nnc(N3CCC(OCc4ccccc4)CC3)n2Cc2ccccc2)c1 549537144 RHHHBCFOSLMVIJ-UHFFFAOYSA-N 449.558 5.051 30 20 IKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 551370329 JHVNOYMGAVUVLX-MRXNPFEDSA-N 433.895 5.237 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(Oc2cncc(Cl)c2)CC1 552466400 BFSMBSUMOUHVRN-UHFFFAOYSA-N 440.849 5.002 30 20 IKED N#CCCC[C@@H](NC(=O)C(=O)Nc1cc(-c2ccccc2)ccc1Cl)c1ccccc1 556625774 PVBTZLCEIWPMJN-JOCHJYFZSA-N 431.923 5.497 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCCC2(CCOCC2)C1 558985504 WBKWLTRJQROEJA-NRFANRHFSA-N 446.595 5.544 30 20 IKED C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2cccs2)CC1 559163342 RDKRYJWPXNTQMD-UHFFFAOYSA-N 433.350 5.113 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC1(c2cccc(Cl)c2)CCCC1 562144801 QHJDXHIDGWOEFZ-INIZCTEOSA-N 441.984 5.258 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cncc(Cl)c3Br)c2)cc1 572797963 NDCGAVUVEMWLIZ-UHFFFAOYSA-N 428.673 5.414 30 20 IKED CSCC[C@](C)(C#N)NC(=O)CSc1ccc2c3c(cccc13)C(=O)c1ccccc1-2 583107813 IPSRMHMPRIKGST-RUZDIDTESA-N 446.597 5.295 30 20 IKED Cc1oc2nc(S[C@H](C#N)Cc3ccccc3)nc(NC(=O)c3ccccc3)c2c1C 603549382 BEAOQYPTRIJHCB-IBGZPJMESA-N 428.517 5.319 30 20 IKED C[C@@H](NC(=O)c1cccnc1Oc1ccc(F)cc1Br)c1ccc(C#N)cc1 603782261 KPZHCUJMAAXRNN-CYBMUJFWSA-N 440.272 5.138 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(OCc4cscn4)c3)cc2)c1 609065115 XPVAFVLZGIJFQU-UHFFFAOYSA-N 441.512 5.425 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCc3nc4ccccc4s3)cc2F)c1 609106705 PCQRCORYRFRADV-UHFFFAOYSA-N 431.492 5.457 30 20 IKED Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 609194956 IRLAMGPCGJKHHL-AREMUKBSSA-N 425.532 5.090 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)[C@H](c3ccccc3)N3CCCCC3=O)c2)cc1 609421498 BZWRYIIWEDXABK-VWLOTQADSA-N 425.488 5.043 30 20 IKED N#Cc1ccccc1COc1cccc(CNC[C@H]2CCCN(Cc3cccs3)C2)c1 609433290 SDNXWYBGLIOCHJ-JOCHJYFZSA-N 431.605 5.201 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 609436633 SFJYXKXCNDHMJE-UZLBHIALSA-N 441.572 5.452 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC(C)(C)c1ccc(Br)cc1 609437155 SPALOGFMHRENOB-AWEZNQCLSA-N 432.387 5.900 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1C 609452214 FKGPWRHCTFBRAV-UHFFFAOYSA-N 427.504 5.036 30 20 IKED C[C@H](c1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1)N1CCOCC1 609518504 DJXTXBKQACTIIF-GOSISDBHSA-N 445.494 5.135 30 20 IKED N#Cc1ccc(CSCC(=O)N2CCC[C@@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)cc1 609836038 GBJJZXGWZNFOND-OAQYLSRUSA-N 436.968 5.199 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(C3CCCCCC3)[nH]n2)cc1C 609883349 UTRNKISMZNFQIH-UHFFFAOYSA-N 430.556 5.494 30 20 IKED C[C@H](NC(=O)N(C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)c1cccc(C#N)c1 610407470 XECHJEUHBKZCMZ-SFHVURJKSA-N 433.531 5.203 30 20 IKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 611839110 BLVAKPMLAVZODC-MBSDFSHPSA-N 449.942 5.029 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3nn(-c4ccccc4F)c4c3CCC4)n2)cc1 613318000 CZQJQULJTAJOKF-SFHVURJKSA-N 442.519 5.422 30 20 IKED C=CCN(Cc1cccs1)C(=O)N[C@@H](C)c1ccc(OCc2ccccc2)c(OC)c1 616149547 CRXJMHXZCKZDAT-IBGZPJMESA-N 436.577 5.795 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@H]1CCSc2c(F)cccc21 642949335 IIAAAXWAFHDEMN-RULNRJAQSA-N 444.416 5.571 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(Cc1ccccc1)CC(F)F 675272355 YQWPONRQWHVLJO-WDNDVIMCSA-N 432.355 5.373 30 20 IKED C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H]1c1ccc(COC)o1 685551066 OUVPKSAXXLUYNR-UZLBHIALSA-N 442.947 5.338 30 20 IKED N#Cc1cccc(COc2ccc(NC(=S)Nc3cccc(Br)c3)cc2)c1 727980225 GNRJBZQOTYLMPT-UHFFFAOYSA-N 438.350 5.709 30 20 IKED CCOC(=O)Nc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 727997040 RFTXOZVRUJWXOL-UHFFFAOYSA-N 429.476 5.266 30 20 IKED Cc1ccc(C2=CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)cc1 728119791 RPWDMXRYYQXOMW-UHFFFAOYSA-N 437.543 6.075 30 20 IKED Cc1ccc(Cl)c(NC(=S)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1Cl 729158261 MXERPAMEZLLKAR-UHFFFAOYSA-N 428.344 6.775 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)CSCc3ccc(C#N)cc3)ccc21 729410564 ALRFMHGQZUMWJH-UHFFFAOYSA-N 437.565 5.118 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 729421644 ZIQQFXKSIHLIJC-SFHVURJKSA-N 446.507 5.320 30 20 IKED C[C@H](C#N)Oc1ccc([C@H]2Nc3ccccc3C(=O)N2c2cccc(C(F)(F)F)c2)cc1 731300721 JKONXOZFIPPUJY-QRQCRPRQSA-N 437.421 5.767 30 20 IKED Cc1ccc(Cl)cc1NC(=O)CON=C(Cc1nc2ccccc2n1C)c1ccccc1 731664258 GMOOVRGGLHFEPU-UHFFFAOYSA-N 446.938 5.137 30 20 IKED COc1ccc(Sc2ccc(NC(=O)Cc3ccc(OCC#N)cc3)cc2Cl)cc1 731981022 HPYWVLKJMMSKMN-UHFFFAOYSA-N 438.936 5.583 30 20 IKED CC(=O)C1=C(c2ccc(C)cc2)N(Cc2cccs2)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 732046587 JDZLULTVGCFLNO-QFIPXVFZSA-N 447.516 5.232 30 20 IKED CC(C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cccc(COc2ccc(C#N)cc2)c1 734584558 HRIKCHAKVVCGMP-IBGZPJMESA-N 442.515 5.445 30 20 IKED CN(C)[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1c(F)cccc1F 734643630 DESYXZYVJNTPSS-REWPJTCUSA-N 434.490 5.045 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](O)c2ccccc2Cl)cc1Cl 741061425 VTWITDHJMRPCLP-KNQAVFIVSA-N 440.330 5.504 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)c1ccccc1SCC#N 741236647 ZGPYCURISQOXTQ-UHFFFAOYSA-N 430.508 5.556 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)ccc1OC 741929683 NEXAUEBWVQDATO-QRVBRYPASA-N 433.335 5.103 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccn(-c3ccc(F)cc3)n2)cc1 743092720 BNNMWLJFSZRVSJ-VWLOTQADSA-N 439.494 5.031 30 20 IKED Cc1cc(C=Nn2c(C)nc3sc4c(c3c2=O)CCCCC4)c(OC(F)F)cc1C 743426757 UVFGYJSAZIGKMC-UHFFFAOYSA-N 431.508 5.136 30 20 IKED Cc1ccccc1COc1c(C)cc(C=Nn2c(S)nnc2[C@H]2CCCCO2)cc1C 743451590 IYEWHOVFJVGQKN-OAQYLSRUSA-N 436.581 5.195 30 20 IKED Cc1sc2nc(CS[C@@H](C)C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)nc(O)c2c1C 747196754 BFTJHMDPICTDOX-QWHCGFSZSA-N 446.623 5.092 30 20 IKED C=CCC[C@H](NC(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccc(C(F)(F)F)cc1 749818935 JCDOMYZIUJDRDJ-QRWLVFNGSA-N 445.485 5.292 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)cc1 751082519 AKVZIYIWJDYBOU-PUOLSWATSA-N 429.564 5.146 30 20 IKED Cc1cc(Br)cc(C)c1NC(=O)CCCOC(=O)c1ccc(Cl)c(C#N)c1 754908004 JGFZGUFIJKERPF-UHFFFAOYSA-N 449.732 5.167 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(C2CC(F)(F)C2)C1=O)Nc1ccccc1 757900632 YIJAYHIHQLBEFR-KRWDZBQOSA-N 449.910 5.098 30 20 IKED N#C[C@@H](C(=O)CCc1cc(Br)ccc1F)c1nc2ccccc2n1C(F)F 759223725 XHWOYBAUTFLYHN-ZDUSSCGKSA-N 436.231 5.142 30 20 IKED COc1ccc(C[C@H](C)CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 761837969 FRELAUOZHXPZPA-RXFWQSSRSA-N 427.548 5.693 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1(CNC(=O)OC(C)(C)C)CCCC1 766042308 RATGAOIBQIDKIN-INIZCTEOSA-N 432.590 5.040 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 767879896 YRDKATZTDQFCCG-SJLPKXTDSA-N 447.526 5.528 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 768137656 SAVRXWHNXXPZQV-MRXNPFEDSA-N 433.726 5.195 30 20 IKED COc1cc(C[S@@](=O)Cc2ccc(Cl)cc2C)ccc1OCc1cccc(C#N)c1 768754777 DYUJHBFWOIWLBB-SSEXGKCCSA-N 439.964 5.557 30 20 IKED N#CCCn1cc(CNc2ccc(CC[C@H](O)c3ccccc3)cc2)c(-c2ccccc2)n1 770560758 RJTRULVCNXSRMA-MHZLTWQESA-N 436.559 5.742 30 20 IKED C[C@H](CCC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)NC(=O)OC(C)(C)C 774051517 BCJQGJZDLGONKK-DGCLKSJQSA-N 441.475 5.185 30 20 IKED CN(C(=O)Nc1ccc(F)cc1OCC#N)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 776476195 KPJDRDXGSJYCOM-IEBWSBKVSA-N 435.421 5.547 30 20 IKED Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 782582939 MNRVUPZBZPMISN-LLVKDONJSA-N 448.957 5.552 30 20 IKED C[C@H](NC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1)c1ccc(-c2cccc(C#N)c2)cc1 782753235 GFGQAOLIOJPZKA-GLYQVZKVSA-N 429.520 5.177 30 20 IKED N#CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 784126442 XVEVTYVVXYHION-JOCHJYFZSA-N 442.544 5.104 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 790772015 LEDWHWTVLRFNBH-MRXNPFEDSA-N 439.512 5.591 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)cc1 801032924 FSIASMXTXYMVDB-AREMUKBSSA-N 449.551 5.036 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](F)c3ccc(C(F)(F)F)cc3)n2)cc1 802052936 HENMQDSXXJEEFW-AEFFLSMTSA-N 434.414 5.725 30 20 IKED C=CCNC(=S)/C(=C(/O)c1ccc(C(C)C)cc1)[n+]1cc(O)cc(-c2ccccc2)c1 811722676 NGOMRZJGEAPOJY-UHFFFAOYSA-O 431.581 5.457 30 20 IKED Cc1ccc(C(=O)N2CCC[C@H](C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)C2)cc1 915100016 KICCPSVSLVOGAU-VXKWHMMOSA-N 443.572 5.156 30 20 IKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1nc2ccccc2n1C(F)F 915103680 BLQYPLDKVAUEMT-OAHLLOKOSA-N 440.837 5.549 30 20 IKED CC(C)c1cccc(O[C@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1 916887901 OWLFUHPDBNQENF-AUUYWEPGSA-N 432.492 5.240 30 20 IKED CC(C)CCOc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 916888051 TZTRTCKPFFOYRA-IBGZPJMESA-N 432.492 5.387 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1csc(-c2cccc(Cl)c2)n1 916917077 DMHYAYMZYVHZPF-GOSISDBHSA-N 431.904 5.578 30 20 IKED CCOc1cc2c(cc1/C=C/C(=O)[C@H](C#N)C(=O)Nc1ccc([C@H](C)CC)cc1)O[C@H](C)C2 916955313 OSBSPPRLNZJIIV-QIHDBDNSSA-N 446.547 5.283 30 20 IKED COc1ccc(SCCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917043349 LCYHZXRDTLSVTQ-HNNXBMFYSA-N 436.480 5.682 30 20 IKED C=CCn1c(SCC[S@@](=O)c2cc(Cl)ccc2Cl)nnc1-c1ccoc1C 917177090 GNXPSXYUTTWUOD-HHHXNRCGSA-N 442.393 5.239 30 20 IKED O=C(/C=C\c1ccccc1OC(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918686154 VBWKCQMUSXDCCW-DLXAAPBESA-N 435.286 5.188 30 20 IKED CN(C)CCN(CCCc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 921235707 UYRZFMDBERPFSK-MHZLTWQESA-N 440.591 5.370 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)CCc4ccccc4Cl)cc3)CCC2)CCC1 1787805052 RYAXYIXXMLKPMS-UHFFFAOYSA-N 435.955 5.101 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc4ccccc4o3)cc2)CCC1)C(F)(F)F 1789005901 PMMPBJJVKHSFOX-UHFFFAOYSA-N 428.410 5.299 30 20 IKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)C3=CCCS3)CCC2)cc1 1789507963 ZOOQBGZPJONFDB-UHFFFAOYSA-N 440.685 5.192 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCc3cccnc3C)CCC2)cc1 1789624081 HWRGXFLFCJEPTF-UHFFFAOYSA-N 433.596 5.449 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)CCSCc3ccc(C)cc3)cc2)CCC1 1791502155 MQMACFDTEJDOJU-UHFFFAOYSA-N 434.605 5.166 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@H](CC)c2ccccc2)[C@H]1c1cccnc1 1806268335 FNOUUEXDCUBSCZ-TWJOJJKGSA-N 445.607 5.050 30 20 IKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)C(C)C)[nH]n1 1821983449 AIIPMPVJJOYXLW-PZJWPPBQSA-N 444.526 5.053 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3ccoc3c2)CC1 1823752322 CLTODVQOLFXTND-JOCHJYFZSA-N 437.584 5.054 30 20 IKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3Cl)CC2)C1 1828292292 VFVUGYYYTHMVRN-HSZRJFAPSA-N 439.987 5.021 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(F)c2Cl)CC1 1828827679 RGLCTEMWPJNIAF-KNQAVFIVSA-N 446.994 5.481 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc(F)c2)CC1 1829068690 KVJSQKWBEUHXNT-JOCHJYFZSA-N 432.555 5.191 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2)CC1 1830053821 CCDIVHQKGQFACP-UWJYYQICSA-N 436.518 5.151 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1 9334324 ROFXEHCCCHCQMS-ZDUSSCGKSA-N 433.364 5.557 30 20 IKED COc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)cc1Cl)[n+]1cccc(O)c1 10118158 GARPMIBBEULMGY-UHFFFAOYSA-O 448.351 5.046 30 20 IKED CCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2cccc(Cl)c2C)cc1 11257006 IWTSOEBERGWAEK-UHFFFAOYSA-O 444.407 6.203 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(CO)c2)cc1 20887797 RBKUORAPQGVBAP-UHFFFAOYSA-O 446.379 5.133 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)nnc1C1CC1 21667926 QMUOCCYEZRHTIB-INIZCTEOSA-N 436.606 5.612 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 25115018 ZZLYRGUGBILLRQ-UHFFFAOYSA-N 429.570 5.611 30 20 IKED C=CCn1c(SCc2ccccc2[N+](=O)[O-])nnc1-c1ccc(Br)cc1 25118619 XUWCZXLTSAIUMY-UHFFFAOYSA-N 431.315 5.094 30 20 IKED Cc1ccc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c(C)c1 26035484 LGFDWAASQWUOGO-IBGZPJMESA-N 444.585 5.581 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc(F)cc3Br)c2)c1 32289180 IDXJWGDWVJDJQJ-UHFFFAOYSA-N 425.257 5.291 30 20 IKED N#Cc1ccccc1N1CCCN(C(=O)Nc2cccc(COc3cccc(F)c3)c2)CC1 58548448 AEWGZYHBRKFIKS-UHFFFAOYSA-N 444.510 5.021 30 20 IKED Cc1sc(NC(=O)c2cccnc2Sc2ccc(Br)cc2)c(C#N)c1C 104683872 BEUHIXHMCLPGCA-UHFFFAOYSA-N 444.379 5.798 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(COc2ccc(F)cc2)o1 107806866 LLTVIZUSHWELFK-UHFFFAOYSA-N 443.434 5.617 30 20 IKED COCCOc1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1Cl 303596822 UGLINTPXAHNRGD-UHFFFAOYSA-N 436.895 5.068 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)c1ccc(OC)c(F)c1 409471234 VUHRKLKPNDAOLZ-CYBMUJFWSA-N 439.300 5.195 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)c1 429693242 ZJODYNUKJZIBRB-UHFFFAOYSA-N 427.867 5.050 30 20 IKED CCn1ccnc1[C@H]1CCCCN1C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 430902330 YYQXVMWFNKGOLM-NTKDMRAZSA-N 427.552 5.439 30 20 IKED N#CCCC[C@@H](NC(=O)NCc1ccc(Cn2cnc3ccccc32)cc1)c1ccccc1 431873577 UKPPAPIAIKKPKY-XMMPIXPASA-N 437.547 5.319 30 20 IKED CCC[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1cccc(C(F)(F)F)c1 432489330 JXWXCCRBARCECA-LJQANCHMSA-N 431.458 5.343 30 20 IKED N#CCCC[C@H](NCC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1)c1ccccc1 433022653 WSAGNFGESLSHNJ-AZGAKELHSA-N 431.967 5.570 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](Oc3ccncc3)C2)cc1Cl 433244621 JPJITCQJAAGJSM-IRLDBZIGSA-N 432.911 5.076 30 20 IKED N#CCC[C@H](NC(=O)Nc1cc(Br)ccc1N1CCCC1)c1ccccc1 439490317 IFVPUURDSAWXLC-SFHVURJKSA-N 427.346 5.216 30 20 IKED C[C@@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(C#N)cc2Cl)cc1 442105330 XJUNBJWRHOAOCL-OAHLLOKOSA-N 435.936 5.642 30 20 IKED C=CCn1c(C2CC2)nnc1S(=O)(=O)Cc1ccc(Oc2ccc(Cl)cc2C)cc1 444404775 VWGRMJXIEJHBIW-UHFFFAOYSA-N 443.956 5.070 30 20 IKED Cc1cc(C[C@@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)n(-c2ccccc2)n1 448373517 QQZNPUMNWNCWSK-ZWKOTPCHSA-N 433.581 5.185 30 20 IKED CC(C)(C#N)CCSc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2o1 463257986 QEPKJZBKXBDLBX-UHFFFAOYSA-N 435.958 5.314 30 20 IKED CC(=O)Nc1nc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)cs1 464275895 PMJOAKUDOGTHAU-UHFFFAOYSA-N 446.410 5.037 30 20 IKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)o2)cc1 464475437 VGPRXQFLKSCWCJ-HXUWFJFHSA-N 447.416 6.221 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCc2nc(C(F)(F)F)cs2)cc1 464798405 QWMLNUDKZAQWDE-UHFFFAOYSA-N 431.439 5.107 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)S(=O)(=O)c1ccc(C#N)c(Cl)c1 469174484 ZGZHMGRXGOGUIW-CQSZACIVSA-N 431.970 5.025 30 20 IKED C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 469916367 INQGBUUTWOXTTD-APPZFPTMSA-N 430.299 5.022 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 476121785 YYMZIHUWSOBSKO-HHHXNRCGSA-N 448.426 5.828 30 20 IKED CC[C@H](NC(=O)N(C)C[C@H](C)C#N)c1ccccc1OCc1ccccc1Br 477365468 OAHLGUGUPPKXJF-UZLBHIALSA-N 444.373 5.280 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Cl)cc2Br)o1 478934641 IAMONRJGAVYILZ-UHFFFAOYSA-N 431.673 5.398 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 480551193 ILKQVMKPJHDWCV-JKSUJKDBSA-N 448.514 5.358 30 20 IKED CCCCCN(C(=O)c1ccc(C(C)(C)C#N)cc1)c1nc(C)c(C(=O)OCC)s1 483141714 HQEIUTFUSFHXQM-UHFFFAOYSA-N 427.570 5.266 30 20 IKED COc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 483633142 GAFBWVNILLJFLI-UHFFFAOYSA-N 435.789 5.455 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N[C@H](C#N)c3ccccc3Cl)cc12 499943480 BGTVHBGAAAEQCE-LJQANCHMSA-N 438.915 5.242 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3cccc(Oc4ccccc4)c3)CC2)c1 502646493 GSMVPZMFRYWKGO-UHFFFAOYSA-N 440.503 5.233 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C 503137832 OKPKHBZVQPWRCO-PEBXRYMYSA-N 447.988 5.211 30 20 IKED CC(C)Oc1ccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c(C(F)(F)F)c1 503460288 JVFFXPRNWHMDQK-UHFFFAOYSA-N 429.442 5.685 30 20 IKED CC[C@H](C)n1c(SCC(=O)N(CC)[C@@H](C)c2ccc(C#N)cc2)nnc1-c1ccccc1 504067492 ASLRAYALVOTZJY-OALUTQOASA-N 447.608 5.490 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3c(F)cccc3Oc3ccccc3)CC2)c1 504151361 HCPBTCDAEGTCBK-UHFFFAOYSA-N 431.467 5.565 30 20 IKED C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 505946367 HWIIUSUNEWNBNI-ZJSXRUAMSA-N 447.648 5.577 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C)n(-c2ccc(F)cc2F)n1 507577485 IVPKAHCVMQLNRT-UHFFFAOYSA-N 445.429 5.079 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 507829280 IXOQQCVYDGOOCJ-KRWDZBQOSA-N 431.492 5.197 30 20 IKED N#Cc1cc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)ccc1OC(F)(F)F 508225126 ILOUBSLBCBIQLZ-UHFFFAOYSA-N 435.789 5.337 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2CCN(c3ccccc3)CC2)cc1 508275605 QBOPMPHNIFPNTH-UHFFFAOYSA-N 442.519 5.150 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N(Cc3cccs3)c3ccc(F)cc3)CC2)c(F)c1 511910210 HQTHDEXNLQUTBJ-UHFFFAOYSA-N 437.515 5.348 30 20 IKED CCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cnn1-c1ccc(F)cc1 512497795 AXDCPBMVUVTBQA-IBGZPJMESA-N 446.507 5.196 30 20 IKED N#Cc1ccc(NC(=O)N2CCc3nc(-c4ccccc4Cl)sc3C2)cc1Cl 514885951 BORCIWYOSHWFBY-UHFFFAOYSA-N 429.332 5.579 30 20 IKED Cn1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1NC(=O)c1ccc(Cl)c(C#N)c1 515020500 WWVSGZFLMRNLOY-UHFFFAOYSA-N 439.224 5.537 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(-c4ccc(C)o4)nc3C)n2)cc1 516713640 DQUHCVYSXPWLSL-MRXNPFEDSA-N 435.530 5.642 30 20 IKED C=CCOc1c(Br)cc(CN[C@H](C)c2cccc(OC(C)C)c2)cc1OC 520205499 YGKBGKMRZICCDC-MRXNPFEDSA-N 434.374 5.661 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cc2)cc1 520325472 SKYGUALMMBIXDM-UHFFFAOYSA-N 432.439 5.662 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1csc(C2CCCC2)n1 520817458 AVLSUSAXLSBGSY-HNNXBMFYSA-N 431.652 5.924 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NCCCc2nc3c(s2)CCCC3)cc1 521598864 IXJVTYQVWLZKKU-UHFFFAOYSA-N 435.524 5.188 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)cc1 522089665 VTNCWPXIOYFXGS-AOYPEHQESA-N 425.532 5.789 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1nc(-c2cccc(Cl)c2)no1 522459695 RUVVGEKDYSXIDG-ZDUSSCGKSA-N 427.917 5.106 30 20 IKED CC[C@H](C)n1ncc2c(C(=O)[C@H](C#N)c3nc(-c4ccc(OC)cc4)cs3)cc(C)nc21 523960392 OKFLPVBBPBVQQM-KXBFYZLASA-N 445.548 5.333 30 20 IKED N#Cc1cccc(COc2cccc(CNc3cccc(C(=O)NCc4ccccn4)c3)c2)c1 533210181 JPSCUDIDBYZWHD-UHFFFAOYSA-N 448.526 5.074 30 20 IKED Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)N(CCC#N)Cc2ccccn2)c(C)c1 535608469 FXMWTPYWCWFIDY-UHFFFAOYSA-N 430.556 5.129 30 20 IKED CCCOc1ccc(Oc2ncccc2CNC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 537428768 HZOCYSSQNULBLK-UHFFFAOYSA-N 427.504 5.148 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](CC(F)(F)F)c1ccc(F)cc1 538176950 YVSWWMKOQZLUMQ-KBXCAEBGSA-N 439.478 5.442 30 20 IKED Cc1c(Cl)cnc(N[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)c1C#N 541349526 WGFTVRLUDQPXIA-FQEVSTJZSA-N 446.359 5.174 30 20 IKED CN(C(=O)c1cccc(COc2ccccc2C#N)c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 541633659 HXGAXMHVMNFSLZ-AOYPEHQESA-N 444.506 5.269 30 20 IKED N#C[C@H](NC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1)c1c(Cl)cccc1Cl 543279676 SWPVMSNGYHKNHV-BEFAXECRSA-N 431.367 5.181 30 20 IKED Cc1cccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2cc(Cl)ccc2Cl)c1C#N 543283735 NLVAXGKHAORQFI-OAQYLSRUSA-N 438.314 5.018 30 20 IKED C[C@@H](O)CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C1CCCCC1 544537565 XBGNPZDCMICKQO-VGSWGCGISA-N 425.960 5.543 30 20 IKED COc1cc(C#N)ccc1NC(=O)c1cccnc1Sc1ccc(Br)cc1 547418904 MWVGCYVBTHHQRF-UHFFFAOYSA-N 440.322 5.128 30 20 IKED C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 549677257 SYQQAFKMLVUHAK-UHFFFAOYSA-N 440.469 5.038 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)c1 549723219 MVPCLPQXLJPTSJ-UHFFFAOYSA-N 446.413 5.377 30 20 IKED C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(OC2CCCC2)CC1 549727715 DFKYDACJKXSZFE-UHFFFAOYSA-N 426.630 5.383 30 20 IKED CN1CCc2nc3ccccc3c(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)c2C1 557714012 WZPHWMCVUKFQNW-UHFFFAOYSA-N 434.499 5.139 30 20 IKED CCOC(=O)c1c(CN[C@@H](C)c2ccc(C#N)cc2)nc2ccccc2c1-c1ccccc1 560865105 BFCMJCXDLOVSRT-IBGZPJMESA-N 435.527 5.801 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(c2nccc3sccc23)CC1 568096980 KETYPCREWNNWBB-INIZCTEOSA-N 437.594 5.045 30 20 IKED CSCC[C@](C)(C#N)NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 589018241 RFRXJYWHELBLPR-HXUWFJFHSA-N 436.364 5.011 30 20 IKED C[C@H]1CCN(C(=O)CNc2ccc(Oc3ccnc(C#N)c3)cc2)c2ccccc2S1 589566239 SDMOXKXEWYLFJH-KRWDZBQOSA-N 430.533 5.075 30 20 IKED Cn1cc([C@H]2Nc3ccccc3C(=O)N2c2cccc(Cl)c2)c(-c2ccc(C#N)cc2)n1 602761773 ULLATNCAEGZIMH-DEOSSOPVSA-N 439.906 5.383 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(Oc3ccccc3)nc2)cc1 604003850 ZEBAWGYJPWZNAD-UHFFFAOYSA-N 435.483 5.771 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCCCC[C@@H]3c3ccncc3)cc2Cl)cc1 604090378 XFNMJFNCFJBZSZ-HSZRJFAPSA-N 446.938 6.548 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3[nH]c4ccccc4c3Br)cn2)c1 604100711 LBWDLPLREXMXCR-UHFFFAOYSA-N 433.265 5.242 30 20 IKED C=CCn1c(S[C@@H]2CCCN(c3ccc(F)cc3C)C2=O)nnc1-c1ccccc1F 604930408 HGDMLFXLKOFQFO-HXUWFJFHSA-N 440.519 5.005 30 20 IKED C[C@H](NC(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccc(C#N)cc1 608914658 XNYLTYNQHMABCP-FQEVSTJZSA-N 435.531 5.030 30 20 IKED N#C[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(OCc2ccccc2)cc1 609027910 HYRFVQYJELONFD-DEOSSOPVSA-N 437.499 5.234 30 20 IKED Cn1c(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c(Cl)c2ccccc21 609027938 JBNYEEBLGPTSPE-OAQYLSRUSA-N 429.907 5.405 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2c(-c3ccccc3)ncn2C2CC2)cc1 609298834 OVQNHKLJWCVSRX-UHFFFAOYSA-N 438.462 5.940 30 20 IKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)N[C@H]1CCOc2ccccc21 609387095 LHNFKWHBMCIQIU-PBHICJAKSA-N 449.498 5.152 30 20 IKED Cc1cc(Oc2ccccc2)ccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 609451942 BCRMQSWWWASOKG-UHFFFAOYSA-N 428.536 5.255 30 20 IKED CCCOc1ccc(C(=O)N[C@@H](C#N)c2ccccc2Br)cc1OCCC 609591020 OOMHPKRWMFMOSS-SFHVURJKSA-N 431.330 5.021 30 20 IKED Cc1ccccc1-n1c(=O)c2ccccc2n2c(S[C@H](C)c3ccc(C#N)cc3)nnc12 609813657 XSWFXRWWTFIBMR-QGZVFWFLSA-N 437.528 5.067 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CSCc2ccc(Cl)cc2Cl)c1C 610053660 PULBKWRQLRPTRZ-UHFFFAOYSA-N 445.375 5.540 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@H](C)c1cccc(C#N)c1 610364628 WUMDNYUTMLTIFY-HUUCEWRRSA-N 425.941 5.366 30 20 IKED CCOC(=O)CC[C@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 611049084 QFVYAUWFYDWDJW-HXUWFJFHSA-N 449.551 5.033 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 615655973 WWWUSBRRSIYAIN-FQEVSTJZSA-N 443.547 5.406 30 20 IKED C=CCN(C(=O)[C@H](C)OCCOCC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 615925681 WAVNWHALGLQTBD-ZDUSSCGKSA-N 429.369 5.078 30 20 IKED N#C[C@@H](C(=O)c1ccc2c(c1)NC(=O)CCS2)c1nc(-c2ccc(Cl)cc2)cs1 642281968 YASQYDYDTSCJBQ-HNNXBMFYSA-N 439.949 5.388 30 20 IKED FC(F)(F)c1ccc(-c2nc(CN3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)co2)cc1 677376324 YCYWMQSRQUPAMK-BETUJISGSA-N 446.313 5.923 30 20 IKED N#C[C@@H](C(=O)c1cncc(C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 685143195 OSFPMHXIQMQHFI-ZDUSSCGKSA-N 442.249 6.021 30 20 IKED C[C@@H](c1ccc(Cl)cc1Cl)N1C(=O)/C(=C/c2cccc(OCC#N)c2)SC1=S 726626576 DDZYHPVHCOZJQF-XACIZNRCSA-N 449.384 5.858 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)cc1 726696527 QLSRWQNKNKFJMZ-DNVJHFABSA-N 446.348 5.782 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1 726712221 PHZZDPKBXFLMRR-XMMPIXPASA-N 440.478 5.500 30 20 IKED Cc1cc(CSc2ccccc2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)on1 729375859 VEVPCAJTNUOOIU-UHFFFAOYSA-N 441.512 6.192 30 20 IKED COc1cc(C(=O)/C=C/c2ccc(OCc3cc(C)c(C(=O)O)o3)cc2)ccc1SC 729936477 CZFZQNVFKYTQKV-UXBLZVDNSA-N 438.501 5.492 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccccc2NC(=O)C(C)(C)C)cc1 733143972 LAOVOWZDNQOQRC-UHFFFAOYSA-N 443.503 5.596 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](C)c2ccc(SC(C)C)cc2)ccc1OC 733646841 BYRWMIDYTOLSDP-FXAWDEMLSA-N 441.597 5.437 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)c1 733787692 UAGMDIMULRPXMP-FQEVSTJZSA-N 447.922 5.203 30 20 IKED C=CC[C@@H](NC(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccncc1 734657517 HUHHVPMWFJYFSK-HOYKHHGWSA-N 446.526 5.080 30 20 IKED COc1cc(CSCc2cc(Cl)ccc2OCC#N)c([N+](=O)[O-])cc1OC(F)F 735320553 XQBZUJMJOGABDK-UHFFFAOYSA-N 444.843 5.194 30 20 IKED C#CCN(C(=O)Nc1nc2ccsc2s1)[C@@H]1CCOc2ccc(Br)cc21 735577488 UOEUHEYHMVLNHW-CQSZACIVSA-N 448.367 5.111 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)C[C@H](C)c1ccc(C(C)C)cc1 739154057 IABYLIIIDVZWHU-HNAYVOBHSA-N 426.944 5.622 30 20 IKED COc1cc(OC)c(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1Cl 740432394 ZWUYUJSTLKDCTJ-UHFFFAOYSA-N 427.913 5.279 30 20 IKED CCn1c(C(C)=NNc2ncnc3scc(-c4ccc(OC)cc4)c23)nc2ccccc21 741457691 YREQXRYAXZHNFR-UHFFFAOYSA-N 442.548 5.573 30 20 IKED C[C@@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Br)s1 742537503 KXYUZNFCAWNCHQ-KDOFPFPSSA-N 425.351 5.908 30 20 IKED Cc1c(C(=O)/C=C/c2cc(Cl)ccc2OC[C@H]2CCCO2)cnn1-c1ccc(C#N)cc1 743055546 DZZCOECLIWHIDA-MOVYNIQHSA-N 447.922 5.160 30 20 IKED FC(F)(F)c1cccc(Oc2cccc(C=Nn3c(S)nnc3[C@H]3CCCCO3)c2)c1 743452143 RJLVPUOBVKIYCM-GOSISDBHSA-N 448.470 5.502 30 20 IKED COCc1c(C(=O)N2CCSC2=Nc2ccccc2OC)sc2cccc(F)c12 743838657 ZACRXRQXAZZWDL-UHFFFAOYSA-N 430.526 5.072 30 20 IKED C=CC[C@@H](NC(=O)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1ccncc1 745825532 KGMCWQGXTFWSPZ-ZJSXRUAMSA-N 449.938 5.212 30 20 IKED CC(=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1sc(C(C)C)nc1C 751134276 WIHFETPQHSCOQR-UHFFFAOYSA-N 428.583 5.212 30 20 IKED N#Cc1ccccc1/C=C\C(=O)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1 754343326 XZPNSTCHQJYXSB-SEYXRHQNSA-N 430.895 5.185 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NCc3cc(Cl)ccc3OCC#N)s2)cc1 754837721 ZAVUSNZAFDKSDQ-CQSZACIVSA-N 427.957 5.534 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1 756232645 DANCINAYYSHLAQ-INIZCTEOSA-N 446.919 5.215 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1 760083701 CKTRBYLYOHPMJK-UGSOOPFHSA-N 438.380 5.490 30 20 IKED C[C@@H](c1ccccc1)n1c(SC[C@@H](O)c2ccc(C#N)cc2)nnc1-c1ccccc1 763231556 NZJQTXRXQKXDOF-FDDCHVKYSA-N 426.545 5.252 30 20 IKED N#C[C@@H](NC(=O)c1ccc(Cl)nc1C(F)(F)F)c1ccc(OCc2ccccc2)cc1 766857480 JVCGTHRFRUSCTG-GOSISDBHSA-N 445.828 5.327 30 20 IKED COc1cccc(Cc2cnc(NC(=O)c3cn(CCCC#N)c4ccccc34)s2)c1 767663635 MUFOPOXKJDXFET-UHFFFAOYSA-N 430.533 5.253 30 20 IKED C=CC[C@H](N[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21)c1ccncc1 769686641 CTPCRTDXYRFMDP-VVZHRXSXSA-N 435.568 5.192 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cn(CCCC#N)c2ccccc12 774041899 CDTMLZDOJDSNBV-OAQYLSRUSA-N 426.520 5.031 30 20 IKED CCC[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1ccc(Cl)c(Cl)c1 775315978 ILAAFOSDJBWTFJ-APWZRJJASA-N 439.346 5.661 30 20 IKED COc1cc(C=NOCc2ccc(F)cc2Br)ccc1OCc1ccncc1 780282572 LOQOZVHQJYFPLM-UHFFFAOYSA-N 445.288 5.122 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)Nc3ccccc3O[C@@H](C)C#N)s2)cc1 780672725 IRMMQMQNSIDZSN-GOEBONIOSA-N 436.537 5.301 30 20 IKED Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1ccccc1SC[C@H](C)C#N 782276608 MANRKYNSEAJHSJ-GFCCVEGCSA-N 432.571 5.303 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)cc1 782580816 ACJYVRXQYMZBLD-SFHVURJKSA-N 441.409 5.192 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)Nc3ccc(N4CCCCCCC4)c(F)c3)CCO2)c1 782657193 MQYODZNACRXRMD-XMMPIXPASA-N 436.531 5.073 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1=S 784026945 QNXLFIWBGNRKPD-GOSISDBHSA-N 445.514 5.128 30 20 IKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCC#N)c1 784125409 PBIRVIOCZSAWFO-JOCHJYFZSA-N 448.592 5.130 30 20 IKED COc1ccc2c(c1)CN(C(=O)Nc1ccc(F)cc1OCC#N)[C@H](c1ccccc1)C2 787416366 CZOMWRGFFZAYGB-QHCPKHFHSA-N 431.467 5.068 30 20 IKED Clc1ccc(-c2nc3c(s2)C(=NNc2nnc(-c4ccccn4)s2)CCC3)cc1 788028683 PMLLEJVZHHAXAN-UHFFFAOYSA-N 438.969 5.530 30 20 IKED COc1ccc2nc(/C=C3/SC(=S)N(c4ccc(C#N)c(Cl)c4)C3=O)sc2c1 788677067 DMEPSSNMSJAUIL-LZYBPNLTSA-N 443.962 5.236 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1nc(Br)cs1 792530243 NOARRMUMPRYGTF-UHFFFAOYSA-N 430.302 5.072 30 20 IKED Cc1ccc([C@H](OC(=O)c2ccc(Sc3ccccc3C#N)cc2)c2cncn2C)cn1 816319065 LNYYXWWOKTUFIN-DEOSSOPVSA-N 440.528 5.093 30 20 IKED N#C[C@@H](C(=O)CCc1ccc(OC(F)F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 915104020 IXVPBIBUQPPKRX-AWEZNQCLSA-N 440.393 5.726 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 915353048 KZUZQKXZNCQLTI-RUZDIDTESA-N 438.531 5.225 30 20 IKED C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 916057098 KUAORTQFMHYBEN-HSZRJFAPSA-N 441.918 5.451 30 20 IKED CCCCOc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1OC 916546229 GZPUVDCGHLBCAB-UHFFFAOYSA-N 430.961 5.294 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc3nc(CC)c(CC)nc3c2)cc1 916914778 UVQWJKJCAVDDKQ-FQEVSTJZSA-N 428.536 5.058 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1 916936357 IHNQSOBADJKJLW-INIZCTEOSA-N 441.915 5.110 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(CN3CCOC3=O)cc2)cc1 918353681 CQZALXOQBQFLQN-UHFFFAOYSA-N 443.528 5.055 30 20 IKED CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2ccccc2OCC#N)ccc1Cl 919849007 ATRCNHNETMIUMJ-UHFFFAOYSA-N 447.922 5.157 30 20 IKED Fc1cc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)ccc1Cl 921259107 WSFKWAQZNHWUJN-UHFFFAOYSA-N 431.707 5.127 30 20 IKED CSc1nc(O)c(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc1C#N 1264263882 NVDYRKLQWZAURN-UHFFFAOYSA-N 443.362 5.125 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)CCC2)cc1 1785935067 KIHKGWKSUIVVQM-SFTDATJTSA-N 435.955 5.127 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@H]4Sc5ccccc5[C@H]43)cc2)CCC1 1789529402 GVGCSRKNCYKNAM-KKPKCPPISA-N 432.589 5.221 30 20 IKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1Oc1ccccc1)C2 1793051922 LZHZMVKJVDXTPZ-NUNAXRQHSA-N 444.575 5.499 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1sc2ccccc2c1Cl 1797462549 BUYAJNDMJFUJAU-MHORFTMASA-N 443.012 5.575 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)CC(=C)C)[C@H]1c1cccnc1 1802495260 AIEZXKIBERJZEB-VXKWHMMOSA-N 425.617 5.072 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C23CCC(CC2)CC3)[C@H]1c1cccnc1 1810501884 DKUXWYHBMNFBJS-CURCQILKSA-N 437.628 5.050 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)cnc2Cl)n[nH]1 1816619735 GJTMEYQDWZSRPU-SFHVURJKSA-N 443.979 5.065 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC)c(F)c2)CC1 1823750491 BHMQKFIKHXMZJP-JOCHJYFZSA-N 444.591 5.060 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 1824142461 RDXYFOHJMYSLEQ-VWLOTQADSA-N 433.596 5.170 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3[nH]ccc3s2)CC1 1828334832 YEEZHUYQIFCMIK-PZJWPPBQSA-N 439.625 5.231 30 20 IKED CCC[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](C)ON=C(C)C)CC2)CC1 1830419142 KOPCHMFQGSVLIX-WMIMKTLMSA-N 447.664 5.014 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)c(Cl)c2)CC1 1832024650 AZUAVTUMWYJQEB-QHCPKHFHSA-N 429.004 5.075 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2cccc(C)c2)cc1 10173958 DAVPWEQXQGAUIK-UHFFFAOYSA-O 431.581 5.221 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)c2occc2-c2ccccc2)n(C2CCCC2)c1C 12483473 WDQXNOGZTJRQRL-UHFFFAOYSA-N 431.492 5.147 30 20 IKED Cc1ccc(-c2csc3nc(SCC(=O)c4ccc(C#N)cc4)n(C)c(=O)c23)cc1C 19037877 XBHXPSFECKHTIT-UHFFFAOYSA-N 445.569 5.126 30 20 IKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1-c1ccccc1OC 20992285 XUFQQVIUNRMONT-UHFFFAOYSA-N 439.928 5.135 30 20 IKED CC(C)(C)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(F)cc2)cc1 22730488 NMEBQIKSUIWVRZ-UHFFFAOYSA-O 443.514 5.740 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)nnc1-c1ccco1 45643473 LUDZWOQLIZDYHD-QFIPXVFZSA-N 444.560 5.813 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cccc(NC(=O)c4ccco4)c3)c2)c1 108129401 RAIIEBDGVYOWCN-UHFFFAOYSA-N 437.455 5.235 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)cc1 195641812 OCNNUUBIMRFSHZ-UHFFFAOYSA-N 448.469 5.099 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3ccnc(N4CCCCCC4)c3)c2)c1 237854839 GMWCKPCALBKVMT-UHFFFAOYSA-N 426.564 5.202 30 20 IKED C=C(C)Cn1c(Sc2cc(C)c(C#N)c3nc4ccccc4n23)nnc1-c1ccncc1 301714652 MFVVQLWRPHQXEN-UHFFFAOYSA-N 437.532 5.048 30 20 IKED CC(C)n1c([C@H]2CCCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)C2)nc2ccccc21 302613703 BYJDISDFZCFCEG-KRWDZBQOSA-N 440.507 5.329 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 303292702 BJUNDXDAINMOSE-SFHVURJKSA-N 427.529 5.784 30 20 IKED Cc1ccc([C@@H]2CSCCN2CC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 303654733 LJRSHJQANJMCKE-NQIIRXRSSA-N 425.623 5.118 30 20 IKED N#Cc1nc(Oc2ccc(Oc3ncc(Br)cn3)cc2)ccc1C(F)(F)F 409643779 JDUHVZGIJMMGCU-UHFFFAOYSA-N 437.175 5.109 30 20 IKED N#CCCn1ncc(C(=O)Nc2cccc(COCc3ccco3)c2)c1-c1ccccc1 428214919 HEUGPQPCTNRALA-UHFFFAOYSA-N 426.476 5.026 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3ccc(OC)cc3)no2)nnc1-c1cccc(OC)c1 428350544 YHZTXAFKFRDBHO-OAHLLOKOSA-N 449.536 5.052 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)N1CC[C@@H](CC(F)(F)F)C1 434157859 QQBFMVDNLUFOIY-VIFPVBQESA-N 438.290 5.453 30 20 IKED Cc1csc(C2(NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CCC2)n1 435111562 QDJHBUHITZPWOD-IBGZPJMESA-N 436.968 5.961 30 20 IKED CC(C)(CO)[C@H](CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1 437795877 HHVHPQVXWBTGNA-XMMPIXPASA-N 429.520 5.274 30 20 IKED Cc1ncc(CNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)s1 438523880 PFJPHYVHCGREEQ-UHFFFAOYSA-N 432.427 5.456 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)c1cccnc1 438543712 DLDCTROPHVWMIE-CQSZACIVSA-N 426.398 5.647 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)Nc3ccsc3Cl)cc2Cl)c1 439309284 FNWZOBWQINQFLU-UHFFFAOYSA-N 446.315 5.083 30 20 IKED N#CC1(CS(=O)(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)CCCCC1 444227421 ZGDXFBSXRZZAAF-HNNXBMFYSA-N 442.425 5.092 30 20 IKED O=C(CN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)Nc1c(F)cccc1F 444743663 MFHRFZDGIRMWGX-AWEZNQCLSA-N 426.307 5.205 30 20 IKED CC[C@@H](N[C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F)c1ccc(C#N)cc1 447577668 AXJZQVGAMJJKML-RPWUZVMVSA-N 440.515 5.070 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@H](Cc3ccc(F)cc3)c3ccccc3)ccc21 447601573 QIYYRLLGPKNFEU-RUZDIDTESA-N 427.523 5.805 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCc1ncc(-c2ccccc2Br)o1 462236128 WUVKGGXFYULQII-CQSZACIVSA-N 428.355 6.110 30 20 IKED Cc1nc(NC(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)sc1SCC#N 462420241 LOCVBZLANNLIGP-UHFFFAOYSA-N 449.985 6.263 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 462915626 XZUANZJUCYNYST-UHFFFAOYSA-N 438.331 5.790 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC[C@](CO)(Cc2ccccc2)C1 464607549 ZSEXIHXPELWSMA-MHZLTWQESA-N 442.584 5.167 30 20 IKED O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccccc1OC(F)(F)F 464733221 ZIFBVMFBAJTEAH-UHFFFAOYSA-N 433.283 5.181 30 20 IKED C[C@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C(=O)c1cccc(F)c1 468413399 VITFAJIEPIVGJM-ZHRRBRCNSA-N 434.898 5.982 30 20 IKED Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)Nc1sc3c(c1C#N)CCCCCC3)CC2 468690425 PEJBULMWCLPGLC-CYBMUJFWSA-N 448.514 5.140 30 20 IKED N#Cc1cccc(NC(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1 468916727 IYWFHLSFYKHOMZ-KRWDZBQOSA-N 443.347 5.201 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cn(Cc3cccc(F)c3)nn2)cc1Cl 469048456 UTVGTVOYVSDBEG-NRFANRHFSA-N 445.885 5.027 30 20 IKED COc1ccc2c(c1)CN(C(=O)CSCc1ccc(C#N)cc1)[C@H](c1ccccc1)C2 469466121 FYEOKZLHAZPRLY-VWLOTQADSA-N 428.557 5.126 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@H](c3ccccc3)C3CCCC3)ccc21 470538175 OJVPTZBZZWRIGT-RUZDIDTESA-N 430.552 5.323 30 20 IKED Cc1nnc(-c2cc(F)ccc2NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)o1 471388394 OOWVNYGHSVKFGA-UHFFFAOYSA-N 432.386 5.240 30 20 IKED Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)c1ccccc1Sc1ccccc1C#N 472832985 XMOVLAWNIGSKSY-LJQANCHMSA-N 438.556 6.076 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(Cc2cc(F)ccc2OC)CC1 475577623 FMAVHFFARGUTPZ-UHFFFAOYSA-N 425.548 5.036 30 20 IKED CCc1cc(=O)c2cc(NC(=O)c3ccccc3Sc3ccccc3C#N)ccc2[nH]1 476283786 BJKUYSOQHZUREW-UHFFFAOYSA-N 425.513 5.366 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)cc1 476340479 WOQROFPUANFBPD-UHFFFAOYSA-N 431.363 5.616 30 20 IKED C=C(C)[C@@H](NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)c1ccc(F)c(F)c1 477747589 XIYYBSKNOJXGDE-SUMWQHHRSA-N 445.457 5.647 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 481255823 LRYSFMPYSCXMCQ-UHFFFAOYSA-N 449.367 5.128 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481683973 JADMTUGREZFUMU-UHFFFAOYSA-N 442.494 5.591 30 20 IKED CCc1c(NC(=O)c2c(F)c(F)cc(F)c2F)cnn1-c1ccc(C(F)(F)F)cc1 486058146 DANZLTYDLQKODY-UHFFFAOYSA-N 431.311 5.262 30 20 IKED CCN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 492094445 LDTDCQVRNVNUMT-OBGWFSINSA-N 426.476 5.006 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](c1ccc(C2CCCCC2)cc1)C(C)C 494073771 SPKSKDVBUSEPEE-HHHXNRCGSA-N 434.628 5.907 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)N[C@@H]1CCC[C@H]1OC(F)F 499825295 NLHQUHWLNLOLHI-JHJVBQTASA-N 434.327 5.158 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccnc(Oc2ccc(OC)cc2)c1 500228870 YLVGSKHJNKNYBU-UHFFFAOYSA-N 443.956 5.495 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)cc1C 502444298 ZYVAWTAUPKSPNU-UHFFFAOYSA-N 425.536 5.109 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccccc2)nc2ccccc12)c1nc(-c2ccncc2)cs1 505705936 LPWDSALZPHRASL-OAQYLSRUSA-N 432.508 5.910 30 20 IKED CCCN(CCC)C(=O)c1cccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1 505944307 RLJDUGPLIWRWKK-HXUWFJFHSA-N 432.351 5.250 30 20 IKED Cc1sc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)c(C#N)c1C 506566783 ZUDFKJAPSVAICD-AWEZNQCLSA-N 436.364 5.034 30 20 IKED CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)N1CCC(C)(C#N)CC1 506723189 DNJDMEXYJFECKD-UHFFFAOYSA-N 425.554 5.366 30 20 IKED CCCc1c(NC(=O)c2ccnc(-c3ccc(Cl)cc3)n2)cnn1-c1cccc(C#N)c1 507604102 UEMLQFHPWVUEOS-UHFFFAOYSA-N 442.910 5.059 30 20 IKED C[C@H](Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1)C(=O)Nc1cccc(C#N)c1 507877875 DZJRTYDLGIQTJC-HNNXBMFYSA-N 443.894 5.386 30 20 IKED N#Cc1ccccc1COc1cccc(CNc2ccc(NC(=O)CC(F)(F)F)cc2)c1 509977317 MXHFPLLMUURBNU-UHFFFAOYSA-N 439.437 5.640 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccccc1OC 514955314 QOPYFLMINZXZLC-HNNXBMFYSA-N 442.972 5.221 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3csc(-c4ccc(F)cc4)n3)c2)c1 515675716 SJBCGDLUPYAPFV-UHFFFAOYSA-N 442.475 5.325 30 20 IKED C[C@@H](c1c(F)cccc1F)N(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 516365873 UMUADTQSDOZOCE-LBPRGKRZSA-N 445.520 5.205 30 20 IKED N#CCCn1cc(/C=C(\CC(=O)O)c2nc3cc(Cl)ccc3s2)c(-c2ccccc2)n1 516947725 XRDKCECOIUCARB-LFIBNONCSA-N 448.935 5.742 30 20 IKED N#C[C@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 518321041 AXTRGIKYTPPWMO-FQEVSTJZSA-N 439.302 5.632 30 20 IKED C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1nc(C(C)(C)C)cs1 518580982 LZJQPFWZRNNWNC-CYBMUJFWSA-N 425.583 5.242 30 20 IKED Cc1nn(CC(C)C)c(C)c1CCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N 518869901 UBILQBANJBMPOG-UHFFFAOYSA-N 448.998 5.847 30 20 IKED CCCc1noc2nc(C3CC3)cc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)c12 521015046 FVTXIEZVPSNYES-GOSISDBHSA-N 428.414 5.066 30 20 IKED C[C@H]1CN(c2ccccc2NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@@H](C)O1 521089274 HEEWKSLRSSPYPF-BGYRXZFFSA-N 441.531 5.411 30 20 IKED COc1ccc(CNCc2cccc(OCc3cccc(C#N)c3)c2)c(C(F)(F)F)c1 521832861 KAFWMBBORAEPKP-UHFFFAOYSA-N 426.438 5.454 30 20 IKED Cc1ccc(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1OCC(F)F 522093649 ICAPEGURSWSBIW-UHFFFAOYSA-N 429.467 5.022 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(COc4ccccc4C#N)c3)n2)cc1 522294134 XYXVBXYTGKAXSQ-QHCPKHFHSA-N 449.535 6.059 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCC(OCCc4ccccc4)CC3)c2)cc1 523865041 FERIPWUCERHQJB-UHFFFAOYSA-N 440.543 5.001 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1csc(-c2ccc(Br)s2)n1 524104818 IPJYOGAOCQHXDP-UHFFFAOYSA-N 446.395 5.557 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3nc(-c4ccoc4)no3)cc2Cl)cc1 524256437 BKJYWYSPMOYYOG-UHFFFAOYSA-N 434.839 5.218 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCCC[C@@H]3c3ncc[nH]3)cc2Cl)c1 531774696 XQWWJSGQSCKPLQ-HXUWFJFHSA-N 435.915 5.273 30 20 IKED COc1ccc(CNc2cc(Cl)cc(Br)c2OC)cc1OCCCC#N 532887008 AOJGOAYSRLDVJA-UHFFFAOYSA-N 439.737 5.414 30 20 IKED C=CCN(C(=O)[C@@H](C)Cc1ccc(OC)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 534705222 NPEXEALQPHAEPA-INIZCTEOSA-N 437.521 5.125 30 20 IKED COc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1OCCOc1ccccc1Cl 537294724 KFBSSRIFNFAEHT-GOSISDBHSA-N 436.939 5.529 30 20 IKED N#CCC1CCN(C(=O)c2cc(-c3cccs3)n(-c3cc(Cl)cc(Cl)c3)n2)CC1 541045509 OGBSLZYSWIJOPB-UHFFFAOYSA-N 445.375 5.673 30 20 IKED COCCOc1ccc(C#N)cc1NCc1cc(-c2c(OC)ccc3ccccc23)no1 541293639 SVZDRDYYBUBGIE-UHFFFAOYSA-N 429.476 5.012 30 20 IKED N#CCC1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 541969338 BFCXLAZUYVFIHM-UHFFFAOYSA-N 430.430 5.115 30 20 IKED C[C@H](NC(=O)N(C)Cc1ccc(Br)o1)c1ccc(-c2cccc(C#N)c2)cc1 542088261 SXXBYWNGMRKOHS-HNNXBMFYSA-N 438.325 5.483 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccc(F)cc1Nc1ccccc1F 542170542 IKPUNZHSAGVXOK-UHFFFAOYSA-N 434.446 5.328 30 20 IKED Cc1nc2c(s1)[C@H](N(C)C(=O)N[C@H](C)c1ccc(-c3cccc(C#N)c3)cc1)CCC2 543019014 XHODYERPTVYHRB-WAIKUNEKSA-N 430.577 5.770 30 20 IKED Fc1cccc(-c2nc(CN[C@@H](c3ccc(OC(F)(F)F)cc3)C(F)(F)F)co2)c1 543871147 PFZCXLPVZQEISQ-INIZCTEOSA-N 434.311 5.773 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 544152494 CYSOCVIWFSCDDD-UHFFFAOYSA-N 446.290 5.106 30 20 IKED Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)[C@H](C#N)c3ccncn3)cc12 545446847 WPXZOIVYTOMYFR-CYBMUJFWSA-N 442.331 5.041 30 20 IKED C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccccc2C(F)(F)F)C1 549280183 OAWDQTKMEPAMKP-IBGZPJMESA-N 448.514 5.103 30 20 IKED Cc1ccccc1OCCCC(=O)Nc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 554114535 KVRMNXGNQULCAJ-HXUWFJFHSA-N 445.538 5.654 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)N(c3ccccc3)c3nc4ccccc4s3)CC2)o1 556394612 MURUVEDTWPOSMT-UHFFFAOYSA-N 443.532 5.046 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N[C@@H]1CCC[C@H]1OC(F)F 556443812 DAAZSENNIYDXIG-CHWSQXEVSA-N 434.327 5.026 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 561122603 DKFYZFGYRUJQFO-UHFFFAOYSA-N 443.482 5.587 30 20 IKED C=CCC[C@@H](NC(=O)Cc1cncn1Cc1ccccc1)c1ccc(C(F)(F)F)cc1 562177201 VKTHSXZHAWVBSY-JOCHJYFZSA-N 427.470 5.316 30 20 IKED Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)NCC(C)(C)CCC#N)c12 572129012 XDDQQWAVCFWBIH-UHFFFAOYSA-N 430.430 5.277 30 20 IKED N#CCC1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc(F)cc2)CCC3)CC1 574716272 WPBHKUSXIRWLQP-UZYVYHOESA-N 439.534 6.017 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@H](c4ccco4)C3)s2)c(C(F)(F)F)c1 588346762 VFRGJEQGVKQRGK-HNNXBMFYSA-N 446.454 5.239 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1 592973576 BQISMZNSSRBKNN-KRWDZBQOSA-N 431.423 5.729 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cc1nc(-c2ccccc2)oc1C 603533055 OMJUWHRGNBAVLF-UHFFFAOYSA-N 439.490 5.745 30 20 IKED Cc1ccc(-c2nnc([C@@H](C)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)o2)cc1 604047334 OMTDVZBYARVKCG-MRXNPFEDSA-N 430.895 6.536 30 20 IKED CC(=O)Nc1cccc2c1CCN(C(=O)c1ccccc1SCc1ccc(C#N)cc1)C2 604192994 JKIRRQXGVNHGJG-UHFFFAOYSA-N 441.556 5.007 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc(C#N)c(C)n1 604449400 MYVSOCLJSUSPQL-UHFFFAOYSA-N 438.409 5.094 30 20 IKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604499932 QYIXTAIGRVCYIX-HNNXBMFYSA-N 440.425 5.989 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)cc1 608995188 BGRKQUPYUZQXJY-RUZDIDTESA-N 445.494 5.076 30 20 IKED CC[C@H](C)[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1nc2ccccc2[nH]1 609058077 UITJZAZABKSIEI-QMHKHESXSA-N 428.492 5.124 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)c1 609066811 MNIFCZHXYLBJEO-UHFFFAOYSA-N 440.258 5.842 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 609399180 DSBNROGKFZAWOQ-QGZVFWFLSA-N 444.000 5.462 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NCc3ccnc(Oc4ccc(F)cc4)c3)cc2)nc1 609503006 VDIHMLYIPHQMNG-UHFFFAOYSA-N 440.434 5.002 30 20 IKED CC(C)n1c(CNC(=O)c2ccccc2Sc2ccccc2C#N)nc2ccccc21 609839137 OSSOIRAFMAJJSX-UHFFFAOYSA-N 426.545 5.570 30 20 IKED N#CCSc1ccccc1NC(=O)CNc1cccc(Cl)c1SCC(F)F 609914996 UMLQELBJMCYGPL-UHFFFAOYSA-N 427.929 5.363 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c2)cc1 609987253 NZMHADILZPFVRE-HOTGVXAUSA-N 441.375 5.505 30 20 IKED COc1ccc([C@@H](NC(=O)N[C@@H](C)c2cccc(C#N)c2)c2ccccc2Cl)c(OC)c1 610355635 WXYDMEPRTSHBFT-FYSMJZIKSA-N 449.938 5.379 30 20 IKED CN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 612561984 RZAZYWQUFAKBSJ-FYYLOGMGSA-N 446.482 5.269 30 20 IKED Cc1cccc2sc(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)c(Cl)c12 615023280 LFRNXYZCRUELGF-UHFFFAOYSA-N 425.941 5.250 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@H](C#N)c1nc2ccccc2n1C 642281185 LTFSVGXYMWIUOZ-HNNXBMFYSA-N 440.450 5.514 30 20 IKED O=C(CCOc1ccc(F)c(Cl)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642545671 AJBUMWDLXSZWLH-UWVGGRQHSA-N 435.767 5.274 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1csc(NC(=O)c2ccccc2F)n1 643120245 LDXRTTKMDYSTRB-UHFFFAOYSA-N 449.960 5.007 30 20 IKED O=C(Nc1ccc(CCC(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 674679474 DSFJNGAUVASNJS-RYUDHWBXSA-N 436.318 5.776 30 20 IKED COc1ccc(F)c(NC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)c1 674828487 UPOOPAALRHMWLN-UHFFFAOYSA-N 447.310 5.310 30 20 IKED N#C[C@@H](C(=O)c1cccc([C@@H]2CCCOC2)c1)c1nc2cc(C(F)(F)F)ccc2s1 678027401 HDBAFMRRFPYJND-WBVHZDCISA-N 430.451 5.699 30 20 IKED COc1cc(OC2CC2)ccc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 682990462 TXHOTLXPJCPSAH-OAHLLOKOSA-N 432.423 5.355 30 20 IKED CC[C@@H](C)c1ccc([C@@H](NC(=O)NCc2ccc(OCC#N)cc2)c2cccs2)cc1 727844737 JSEMAUSZDGVGGY-HOYKHHGWSA-N 433.577 5.753 30 20 IKED N#C[C@@H](NC(=O)Cn1c(SC(F)F)nc2ccccc21)c1c(Cl)cccc1Cl 730092514 JXJXVULKRFLBHT-CYBMUJFWSA-N 441.290 5.039 30 20 IKED Cc1csc([C@H](C#N)C(=O)[C@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)n1 730393835 CMWDUWGNQGSQSQ-DNVCBOLYSA-N 433.385 6.468 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1csc(COc2ccc(F)cc2)n1 730995038 NRZGNYBQNWDGJB-AWEZNQCLSA-N 427.526 5.365 30 20 IKED Cc1ccc(C)c(Oc2cccc(Cl)c2C=Nn2c(S)nnc2[C@@H]2CCCO2)c1C 734744552 AJEGWEPMJIMRRV-IBGZPJMESA-N 442.972 5.671 30 20 IKED Cc1nccn1-c1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cn1 735035046 DGFVQLUUOIEWDE-UHFFFAOYSA-N 429.867 5.145 30 20 IKED N#CCOc1ccc(Cl)cc1COC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 735334289 IAKQDNJFFSMEMI-QHCPKHFHSA-N 447.874 5.054 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1 735397053 SWYZSLLMRZHHKW-HSZRJFAPSA-N 446.497 6.026 30 20 IKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN(C)Cc2scnc2C)c1=S 738160246 LRUCSEXENGFYFQ-UHFFFAOYSA-N 427.643 5.419 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCC[C@H]3c3ccc4c(c3)OCO4)c2)s1 740060806 YBQHYSNPDHNTTG-FQEVSTJZSA-N 431.517 5.062 30 20 IKED COc1ccc(/C=C/C(=O)c2c(F)cccc2N2CCOCC2)cc1OCc1ccccc1 741447105 HVJHREHQDWQLTF-ZRDIBKRKSA-N 447.506 5.146 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)C[C@@H](C)c2ccccc2C(F)(F)F)cc1Cl 744031863 CQLCWUJCPSIFHR-IUODEOHRSA-N 438.833 5.209 30 20 IKED Cc1nc(CSc2ccccc2C(=O)OCc2nnc(-c3cccc(C#N)c3)o2)cs1 744542154 HYQDQHYPLOMVFW-UHFFFAOYSA-N 448.529 5.023 30 20 IKED CCN(CC(=O)[C@@H](C#N)c1nc2ccccc2s1)[C@H](C)c1cccc(C(F)(F)F)c1 746143773 HPHMBMQYLBJAHE-RHSMWYFYSA-N 431.483 5.574 30 20 IKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN(Cc2ccccc2C)C2CC2)c1=S 746711591 KAJZHMZTUOQSCR-QHCPKHFHSA-N 448.592 5.043 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1cc(OC)cc(OC)c1)C(=O)c1ccccc1 747151153 YNFIGNYZGZUOEY-KOEQRZSOSA-N 443.543 5.734 30 20 IKED C[C@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1c(F)cccc1Cl 747154296 RNXJYKDJSGSGFK-ZDUSSCGKSA-N 443.862 5.120 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2(c3ccc(Br)cc3)CC2)cc1 749015142 MEEQHFHDGIZEDY-JOCHJYFZSA-N 446.348 5.915 30 20 IKED N#CCn1c(C(=O)O[C@@H](c2ccccc2)c2nc(-c3ccccc3)no2)cc2ccccc21 749053610 JICBWESPGBXFMM-QHCPKHFHSA-N 434.455 5.161 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(CCO)[C@H]2CCCc3ccccc32)cc1 754436976 PDRQPNDXEQEIGG-UIOOFZCWSA-N 425.532 5.246 30 20 IKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1oc2c(ccc3ccccc32)c1C 759234440 FLFBMRYSZZALNJ-LJQANCHMSA-N 442.471 5.221 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCn3ccc4cc(Cl)ccc43)n2)cc1 759269309 QLLYDSOXPUKLFA-IBGZPJMESA-N 430.920 5.556 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H](c1ccc(Br)cc1)C1CCC1 761443952 PSVUUUYQOTVABB-JOCHJYFZSA-N 444.373 5.193 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 761668763 QVTKDEDFGNEATA-HNNXBMFYSA-N 438.286 5.110 30 20 IKED COc1ccccc1CN(Cc1cccs1)C(=O)Nc1ccc(F)cc1OCC#N 761674546 WMNVVQNWRCNLGF-UHFFFAOYSA-N 425.485 5.032 30 20 IKED O=C(CNc1ccc(OCC(F)F)c(C(F)(F)F)c1)Nc1ccccc1OC(F)F 766775059 PLDFMSAOIXEJQO-UHFFFAOYSA-N 440.315 5.001 30 20 IKED Cc1cc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)ccc1NC(=O)OC(C)(C)C 772693507 MWRCMFBDQPINFQ-SFHVURJKSA-N 434.323 5.644 30 20 IKED N#C[C@H](C(=O)CN1CCC(c2ccc(C(F)(F)F)cc2)CC1)c1nc2ccccc2s1 773711434 OFZLLDAZBUAFBV-GOSISDBHSA-N 443.494 5.371 30 20 IKED C=CCCC(=O)Nc1ccc(COC(=O)c2nccnc2-c2nc3ccccc3s2)cc1 774579269 HOTMUSMZHKTUOK-UHFFFAOYSA-N 444.516 5.015 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 778292944 AQVNXFLSKQPRLT-LRDDRELGSA-N 432.471 5.166 30 20 IKED C=CC[C@H](NC(=O)N1CCC(c2ccc(Br)c(C)c2)CC1)c1ccncc1 779576346 SOPZZOLZIAHRQP-NRFANRHFSA-N 428.374 5.359 30 20 IKED FC(F)(F)c1cc(Cl)cc(C=Nn2c(S)nnc2CSc2ccccc2)c1 780243713 WDNMPNNAUNEOGM-UHFFFAOYSA-N 428.892 5.414 30 20 IKED CC(C)[C@H]1CN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CCN1C(=O)OC(C)(C)C 782038660 HJJLSOTVWUCZQE-PKOBYXMFSA-N 446.617 5.190 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@H](c2cccc(Br)c2)C2CCOCC2)c1 786581669 VJSWVQKIDAEGAD-GGAORHGYSA-N 443.385 5.388 30 20 IKED CCCn1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc2ccccc21 786928073 ARFQTQLVNZJUPL-OAQYLSRUSA-N 437.499 5.805 30 20 IKED Cc1oc(-c2ccccc2)nc1C(=O)[C@@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 787043476 BEJJIEXINYCGFI-SJKOYZFVSA-N 442.302 5.157 30 20 IKED COc1c(C)cc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1Cl 794723563 IYSGOMJFTAOIRS-YFHOEESVSA-N 440.952 6.003 30 20 IKED N#Cc1cccc(COc2ccc(NC(=S)NCCCCC(F)(F)F)cc2Cl)c1 794977824 MEZYNLMHYVXLIZ-UHFFFAOYSA-N 441.906 5.810 30 20 IKED C=C(C)CN1C(=O)/C(=C\c2cc(OC)c(OCc3ccccc3)c(OC)c2)SC1=S 814292072 LXYMPFISMYWKMU-UDWIEESQSA-N 441.574 5.060 30 20 IKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccc(C)cc2)C=C1 912822837 MJOGWMLMCTZPLH-UHFFFAOYSA-O 438.960 5.030 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc3ccc(Br)cc3[nH]2)cc1 915085136 HAMNNYVBRRYKBQ-FQEVSTJZSA-N 430.305 5.838 30 20 IKED N#C[C@@H](C(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102648 BVDKJHSMDMZIAQ-GYVWXKFASA-N 433.360 5.689 30 20 IKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CC2)cc1 916207151 VSTZTNYHIFEAOT-HXUWFJFHSA-N 443.519 5.211 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc2c(s1)-c1ccccc1OC2 916898479 BRIYSIZJHIIQGD-LJQANCHMSA-N 430.529 5.393 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)cc1 916950640 VEKQFLOYWJGGNV-XLNZFTOWSA-N 441.531 5.696 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCC(=O)c3ccc4c(c3)CCCC4)n2)cc1 916973076 UBKZLDYBPUCKGK-JOCHJYFZSA-N 428.557 5.837 30 20 IKED C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917047531 ZJCCYJSMULVCKT-XHDPSFHLSA-N 447.944 5.025 30 20 IKED C=CCn1c(COc2ccccc2F)nn(CN2CCC[C@@H]2c2ccsc2)c1=S 917455545 VPYPQHKOMVUFRG-GOSISDBHSA-N 430.574 5.174 30 20 IKED CNC(=O)C[C@H]1SC(=Nc2cccc(C(C)C)c2)N([C@H](c2ccccc2)C2CC2)C1=O 917708188 GJFPBPZFVGSJPF-FYYLOGMGSA-N 435.593 5.029 30 20 IKED COc1cccc2c1OC/C(=C/c1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)C2=O 920066555 SQHBBQDQWFPPAM-UVTDQMKNSA-N 440.908 5.148 30 20 IKED CC[C@@H](C)c1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806466 LTLJFZLZYAIIBE-ZBFHGGJFSA-N 426.488 5.857 30 20 IKED Cc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cs2)o1 920807100 XVFGIQWWHWEKAA-CYBMUJFWSA-N 441.484 5.532 30 20 IKED Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc(C2(NC(=O)C3(C#N)CCC3)CCC2)cc1 1787389442 OPDYFDVDUVDVFE-UHFFFAOYSA-N 433.552 5.327 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)COc3ccc(F)cc3)cc2)CCC1 1787728513 QKKMIRZBGGETKX-HSZRJFAPSA-N 436.527 5.107 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccco4)no3)CCC2)cc1 1789451486 JMDKUHUFUNBBBK-HXUWFJFHSA-N 445.519 5.451 30 20 IKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)cn1 1789508763 IDPILGMLVCTKKI-UHFFFAOYSA-N 447.655 5.189 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4)cc3)CCC2)c1 1790258127 IHHARJHIVORAHI-IBGZPJMESA-N 448.526 5.247 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccncc1-c1cccc(C)c1 1796462235 SOWJBFQGEXHCJZ-KIHHCIJBSA-N 443.591 5.077 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2C2CC2)[C@@H]1c1cccnc1 1813752237 HBVNCQOZBKPDBF-DHLKQENFSA-N 445.607 5.271 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CSc2c(C)cccc2C)n[nH]1 1819590264 OLNCZTLBXBDTEZ-QUCCMNQESA-N 440.613 5.023 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(F)c(F)c2C)n[nH]1 1823197790 SWXVZIQVKXXYII-FQEVSTJZSA-N 442.510 5.071 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccccc2F)CC1 1824144951 OEOOWIIKEZNOTI-VWLOTQADSA-N 440.603 5.146 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CSC2CCCC2)CC1 1824478634 LUBHCPARZXMKJR-GOTSBHOMSA-N 432.674 5.050 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1 1824871288 RVHMIHMGTBSHHQ-HXUWFJFHSA-N 428.539 5.107 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3cccc(Cl)c3)CC2)CC1 1828340078 XSLHKBHNHBQFJI-XXBNENTESA-N 443.031 5.204 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)Nc2ccccc2)CC1 1829069384 XYWGEQISPZUVLU-ZJSXRUAMSA-N 439.644 5.099 30 20 IKED Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)NC3(C#N)CCCCC3)s2)cc1Cl 16325477 RUSXBFOGSSIVAN-ZDUSSCGKSA-N 436.006 5.067 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 25438998 BNXHAZXHSJDERR-FQEVSTJZSA-N 425.532 5.132 30 20 IKED N#CCCn1cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)c2ccccc21 57674444 VWDJCNYJCIADMK-UHFFFAOYSA-N 427.489 5.061 30 20 IKED COc1ccc(CN[C@H](c2ccccc2)c2cc3ccccc3o2)cc1OCCCC#N 64614436 GAQDFTPAXQBOJS-HHHXNRCGSA-N 426.516 6.003 30 20 IKED C=CCn1c(C)cc(C(=O)COC(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c23)c1C 105435545 ICTOOSVWQHTLRB-UHFFFAOYSA-N 447.491 5.052 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3[C@H]4C=C(c5ccccc5)C[C@H]3CC4)s2)cc1 410050403 TUHQLIRBPRGUMQ-FGZHOGPDSA-N 426.545 5.458 30 20 IKED Cc1nc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)sc1Cc1cccc(F)c1 428243805 UQOFRMOTQGBUIA-UHFFFAOYSA-N 445.523 5.211 30 20 IKED CCN(C(=O)c1cccc(SCC#N)c1)[C@H](c1ccc(C(C)C)cc1)c1cccnc1 430910200 DZMRHFSAPITWCT-RUZDIDTESA-N 429.589 6.072 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1 432853345 UDBMYGGZHXJCSF-SANMLTNESA-N 438.531 6.002 30 20 IKED CN(CC[C@H]1CCCCN1C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 437954732 MZTZOLMJOMOERG-OAQYLSRUSA-N 440.975 5.129 30 20 IKED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 437996775 BYGSJOMWSFSSJP-QIJUGHKUSA-N 448.485 5.084 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H](C)Oc2ccccc2F)cc1 438188888 RWQFGZRMAIRSBN-INIZCTEOSA-N 435.455 5.087 30 20 IKED C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCN1Cc1ccccc1 438638753 SPCOLRQLBASSEZ-OXJNMPFZSA-N 430.474 5.094 30 20 IKED N#Cc1ccccc1Oc1ccc(NS(=O)(=O)c2ccccc2Br)cc1F 438717475 JVSHPIXVNGSKGO-UHFFFAOYSA-N 447.285 5.053 30 20 IKED N#Cc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1C(F)(F)F 438775013 PTCBPNBSTKVDQD-UHFFFAOYSA-N 428.741 5.050 30 20 IKED N#CCC[C@H](NC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 438837888 AZTZECGAELCCJQ-QFIPXVFZSA-N 446.378 5.729 30 20 IKED CCCc1c(NC(=O)Nc2ccc(F)cc2C(F)(F)F)cnn1-c1cccc(C#N)c1 439247622 NVPXFZYMHFBVHG-UHFFFAOYSA-N 431.393 5.498 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)c1 439345294 GHUMWFKJFFNZJX-UHFFFAOYSA-N 437.883 5.059 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(F)c(Br)cc1Cl 439622158 ZVHJJYOSZAHDTD-SCLBCKFNSA-N 436.712 5.545 30 20 IKED N#Cc1ccc(NC(=O)C(=O)N[C@H](CC2CCCCC2)c2ccccc2)cc1C(F)(F)F 441836951 LMCZTDISZNTWCW-OAQYLSRUSA-N 443.469 5.343 30 20 IKED C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 460800506 DFZLRCQMMYGVMC-OALUTQOASA-N 432.490 5.089 30 20 IKED CCN(Cc1cccc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1)C(C)=O 464855684 KUQPINPUMNNGTF-UHFFFAOYSA-N 427.504 5.280 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccccc2CCC(F)(F)F)cc1 465142767 BZFRVYLLRFWTTL-UHFFFAOYSA-N 428.385 6.237 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(Br)c(F)cc3F)o2)cc1 467015700 HEMREXPRHVPJLU-UHFFFAOYSA-N 433.208 5.023 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H]1c1nc2ccccc2n1C(C)C 467491313 HPBDFEUWYOLZIV-QFIPXVFZSA-N 446.551 5.020 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3cnn(-c4ccncc4)c3C(F)F)c2)cc1 468996470 NSESKEKXNIZFDL-UHFFFAOYSA-N 431.402 5.121 30 20 IKED COc1ccc2cc([C@H](C)C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)ccc2c1 469958871 CDNOMNRWTJJWKN-SFHVURJKSA-N 441.531 5.174 30 20 IKED COCCN(Cc1scnc1C)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 470510595 ZBYBEQKAYJWSBL-UHFFFAOYSA-N 441.940 5.058 30 20 IKED C[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(C(F)(F)F)c1 470543814 OUZNTEYXPVEPQN-HNNXBMFYSA-N 444.457 5.171 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@H](C)O[C@H](c3ccsc3)C2)cc1 470593053 SJDHMLZGKHNOJK-HJPURHCSSA-N 449.532 5.415 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 476801630 UBQWQQDXMPTJGB-UHFFFAOYSA-N 441.528 5.059 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)c2cnn(C)c2)cc1 479630838 BSYMKDHWPCBHHA-VWLOTQADSA-N 440.478 5.051 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccccc1CN1C[C@H](C)O[C@H](C)C1 480342127 LBYQMSCKCFDQBK-CALCHBBNSA-N 434.005 5.231 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1C 480827314 MUZLHIADLNIKED-KRWDZBQOSA-N 446.016 5.945 30 20 IKED C[C@H](O)[C@@](C)(CNC(=O)c1ccccc1Sc1ccccc1C#N)Cc1ccccc1 482192652 MHKUPKBKTBWJGS-AFMDSPMNSA-N 430.573 5.069 30 20 IKED N#C[C@@H](C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1cnc2ccccc2n1 483219219 SIGKSXSGYAVZFS-CQSZACIVSA-N 432.892 5.087 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 486242919 WWGZAOOAONWGJL-ZFWWWQNUSA-N 448.375 5.237 30 20 IKED N#CCCC[C@H](NC(=O)CCc1nc2cc(Br)ccc2s1)c1ccccc1 487430409 QFIFKUWOYZMPHT-KRWDZBQOSA-N 442.382 5.543 30 20 IKED N#CCCC[C@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccccc1 487432407 VVMWEGNHVKZPRV-IBGZPJMESA-N 437.952 5.819 30 20 IKED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1 488366546 LQUOHNAEKGSERU-MRXNPFEDSA-N 431.895 5.312 30 20 IKED Cc1cc(C)c(-c2nnc(S[C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)o2)c(C)c1 488788001 SGDYBKDNLLINLZ-CQSZACIVSA-N 426.929 5.306 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(-c2cccnc2)cc1 491232924 UXDMSRLPKFSANI-HXUWFJFHSA-N 449.579 6.404 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCc1nc2c(C)cccc2o1 500372373 ORJSOADUOCHBJU-UHFFFAOYSA-N 426.476 5.473 30 20 IKED C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 501477890 KAPPURPCYNCRLS-AVRWGWEMSA-N 439.515 5.178 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 502667136 XGIPNWKENQXTOC-UHFFFAOYSA-N 443.532 5.915 30 20 IKED Cc1onc(-c2cccc(Br)c2)c1C(=O)[C@@H](C#N)c1nc2ccccc2s1 504552175 AMQUUCCOJIEUPE-CQSZACIVSA-N 438.306 5.512 30 20 IKED C=CCCc1ccccc1NC(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 505034256 BZCFFSFSCKIGNI-OAQYLSRUSA-N 445.485 5.309 30 20 IKED O=C(CN[C@H](c1c(F)cccc1F)C(F)(F)F)Nc1ccc(Cl)cc1C(F)(F)F 506302156 RUDKDWKMQGNYSQ-OAHLLOKOSA-N 446.725 5.469 30 20 IKED COc1cccc(-c2c[nH]cc2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 509740297 YKJSLLUNWCPZNE-UHFFFAOYSA-N 436.471 5.067 30 20 IKED Cc1nn(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cc2)c(C)c1Cl 512974311 DTUMYVWBMQQGOC-GOSISDBHSA-N 433.924 5.151 30 20 IKED N#C[C@H](C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cn1 513159664 ISOWPMFMGGDJAS-KRWDZBQOSA-N 440.381 5.111 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N(CCc2ccccc2)Cc2ccncc2)c1 513238155 JIBCISVGDYDGRB-UHFFFAOYSA-N 447.538 5.417 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2csc(Br)c2)cc1 515506326 XQLPMWBMUFFMRP-UHFFFAOYSA-N 427.323 5.408 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2cccs2)C2CC2)cc1Cl 516429595 FHLMXBHAJUYABB-OAQYLSRUSA-N 449.963 5.187 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ccc(Cl)s2)n1)c1nc2ccccc2n1C(F)F 516713674 GREXWESEQSMOES-SECBINFHSA-N 434.880 5.760 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(Oc2cccnc2)c(F)c1 516716029 XKCZFZYUOKUWGE-UHFFFAOYSA-N 431.920 5.626 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc2sc3ccccc3n12 517447881 VNLYZUDMHUATBK-ZDUSSCGKSA-N 439.591 5.069 30 20 IKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cccs1 518507061 RRTZDOWTPHWNFN-FQEVSTJZSA-N 433.533 5.254 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(Cl)cc1Br 518652783 CQNKWGKMKCEQQZ-GFCCVEGCSA-N 439.762 5.514 30 20 IKED CCOc1c(Cl)cc(CNCc2cccc(OCc3ccccc3C#N)c2)cc1OC 518759179 TVZZCJNJMXHFGL-UHFFFAOYSA-N 436.939 5.488 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)cc2)cc1 521087070 LQIREBUFVIYNAQ-JOCHJYFZSA-N 439.515 5.036 30 20 IKED CC1CCN(c2ccc(CNC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)cn2)CC1 521107618 AIAXCOSWAXWFJP-UHFFFAOYSA-N 440.547 5.106 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc(-c2ccncc2)cs1 521980921 FASUCHXNGMKTBM-KRWDZBQOSA-N 440.528 5.554 30 20 IKED N#Cc1cc(NC(=O)N2CCc3c(ccc(Cl)c3Cl)C2)ccc1OCC(F)(F)F 523892735 GDICEOBUEUYZBH-UHFFFAOYSA-N 444.240 5.396 30 20 IKED C=CCn1c(S[C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)nnc1-c1ccccc1 525558549 VCOAFNHIIOFLOH-OAHLLOKOSA-N 437.956 5.612 30 20 IKED Cc1nc(O)c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1-c1ccccc1 531174419 MDXCWNKYVVBSJU-UHFFFAOYSA-N 435.483 5.466 30 20 IKED CC(C)(C)OCc1ccccc1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 536973362 BNYCNCDPHIKZCQ-RUZDIDTESA-N 428.532 5.575 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NCC(=O)Nc2ccccc2-c2ccccc2)n1 542007436 RSIYGTORBXZRJC-UHFFFAOYSA-N 427.895 5.115 30 20 IKED COc1ccc(OCc2ccccn2)c(CNc2ncc(Cc3ccc(C#N)cc3)s2)c1 542761970 QJJJHJPWYSUSFE-UHFFFAOYSA-N 442.544 5.200 30 20 IKED Cc1cc(C)cc(Oc2ccc(NC(=O)C(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)c1 551595495 DSJFOBXLBRRZSR-VWLOTQADSA-N 441.531 5.586 30 20 IKED CC(C)c1ccccc1NC(=O)[C@@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 553364132 FXDAHGZCCJGGAF-OAHLLOKOSA-N 435.515 6.274 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 557739446 YKVVIMQQSCEOEX-ZDUSSCGKSA-N 448.375 5.132 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@@H](c2ccccc2)c2ccccc21 566836152 QDRKITIOORZQLX-NQIIRXRSSA-N 441.556 5.056 30 20 IKED C=CCn1c(Cc2ccsc2)nnc1N1CCc2sc(-c3csc(C)n3)cc2C1 570401041 DWPRZICNTNWKAH-UHFFFAOYSA-N 439.635 5.173 30 20 IKED Cc1c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cccc1-c1ncco1 578253898 VTDFCISYCGRZRO-UHFFFAOYSA-N 429.863 6.220 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 578536693 DBAYLWVQWLGAFW-UHFFFAOYSA-N 437.348 5.421 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCCC[C@@H]3c3nnc(C4CCC4)o3)cc2)cc1 580442387 UUUMIBVKGLVLGB-HSZRJFAPSA-N 442.519 5.563 30 20 IKED N#Cc1ccc(OCc2nnc(N3CCC[C@H]3c3cccs3)n2Cc2ccccc2)cc1 580667727 SPHAOWPYVBUKCL-QFIPXVFZSA-N 441.560 5.180 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)CCN3CCC[C@@H](c4nc5ccccc5o4)C3)c2C#N)C1 603629538 AXWKDZYDXHUVOI-DLBZAZTESA-N 448.592 5.094 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H]3CCN(c4ccc(Cl)cc4)C3)cn2)c1 604468479 GPJIUETXOMSNBU-SFHVURJKSA-N 447.926 5.047 30 20 IKED Cn1ccnc1SCc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1 604535254 PJFHVSJGYRLLFR-UHFFFAOYSA-N 441.516 5.024 30 20 IKED C[C@@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1nc2ccccc2n1C(F)F 605011557 QNHZMAVQJXALLK-SECBINFHSA-N 444.326 5.019 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(Cc4ccccc4F)n3)n2)cc1 605257543 LZNOVHAXKWPXKQ-KRWDZBQOSA-N 433.533 5.795 30 20 IKED COc1cccc2c1OCC[C@H]2NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 608785148 YVPPBCDUPGDWAY-RBBKRZOGSA-N 447.922 5.649 30 20 IKED COc1ccc(-c2csc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)n2)cc1F 609055023 TYVMKRVVTGGBIP-UHFFFAOYSA-N 449.463 5.254 30 20 IKED CC(C)CCN1Cc2cccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)c2C1 609064284 XXLPOOVNCUKSKT-UHFFFAOYSA-N 429.520 5.344 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC1CCN(c2ccccc2)CC1 609079213 PDRTXQNTWCDZQI-UHFFFAOYSA-N 440.547 5.236 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cn(Cc2ccccc2)c2ccccc12 609382894 WOMSNAKPNUDHIT-IBGZPJMESA-N 425.557 6.194 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NCc3ccnc(Oc4ccccc4)c3)cc2)cc1 609500794 ZRQRTGDKQIOUTP-UHFFFAOYSA-N 435.483 5.662 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Oc4ccncc4)c(Cl)c3)cc2)nc1 609502791 BBNBOGGQPPSVJH-UHFFFAOYSA-N 442.862 5.839 30 20 IKED Cc1c(C(=O)N[C@H](C#N)c2ccccc2Br)oc2ccc(Br)cc12 609591676 QHEYWJZUDOGUBG-OAHLLOKOSA-N 448.114 5.261 30 20 IKED CCOc1cc2c(cc1NC(=O)c1cccc(COc3ccc(C#N)cc3)c1)O[C@H](C)C2 609641348 OKXAFORIUQESCY-QGZVFWFLSA-N 428.488 5.112 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@@H](c2ccccc2)c2nccs2)c1 609723989 BHLMZBMONZPGHM-QFIPXVFZSA-N 445.931 5.980 30 20 IKED CCc1ccccc1NC(=O)CSCc1ccc(OCc2cccc(C#N)c2)c(OC)c1 609741086 CZTNBXJUSBDVGD-UHFFFAOYSA-N 446.572 5.580 30 20 IKED Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)cc2)co1 609761038 WTQTWQBZEDNPIU-UHFFFAOYSA-N 431.473 5.115 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CN(Cc2cccnc2)c2ccccc2)cc1 609820691 SSZXOEKGDWJDDB-UHFFFAOYSA-N 434.499 5.391 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 609845454 QWRYLIBHLDJRLH-PXNSSMCTSA-N 447.564 5.890 30 20 IKED C[C@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1C(F)(F)F 610225004 WKXBIYFUIXIFMT-KRWDZBQOSA-N 438.449 6.093 30 20 IKED Cc1[nH]nc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1-c1cccc(Cl)c1 610354607 QNOXZPMSPWSHKP-UHFFFAOYSA-N 446.869 6.094 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCCC[C@@H]2c2noc(C3CC3)n2)cc1 610684318 MHNRRVLSDHOLOS-OAQYLSRUSA-N 428.492 5.287 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(C(=O)OC(C)(C)C)c1 611432006 HTLMZYNTHZWHRX-MRXNPFEDSA-N 425.554 5.358 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)Nc3ccc(C4CC4)cc3)cc2Cl)cc1 615150590 IHWWSZXUDHIBBW-UHFFFAOYSA-N 431.879 5.459 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 618741533 GXCSLFFFWXONGU-RUZDIDTESA-N 435.487 5.096 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N1Cc2ccccc2C(F)(F)C1 676384832 GQVYVWRBFZTXKD-RYUDHWBXSA-N 430.339 5.213 30 20 IKED Cc1c(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc(C(F)(F)F)c1F 682372183 ONLDCXIQVNEMHM-RKDXNWHRSA-N 439.293 5.792 30 20 IKED N#Cc1ccc(NN=Cc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1C(F)(F)F 726425808 IIAVEYNULXQLRV-UHFFFAOYSA-N 446.436 5.330 30 20 IKED C#CCOc1ccc(/C=C2\SC(=S)N([C@@H](C)c3cccs3)C2=O)cc1OCC 726629997 RHISYQNRAPLLAB-QIQQCEGHSA-N 429.588 5.121 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)/C=C\c3cc(OC)c(OC)cc3OC)s2)cc1 727974933 OEFSILJOUHEBDU-FLIBITNWSA-N 425.506 5.049 30 20 IKED Cc1cc(-c2noc([C@@H](C)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)n2)ccc1F 728297555 JJMOTPWOZFODFG-MRXNPFEDSA-N 446.457 5.947 30 20 IKED COc1cccc([C@H](C#N)NC(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)c1OC 729429805 OBXYAAALPCASFK-BPOBUFBUSA-N 438.936 5.480 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)[C@H](Sc2ccccc2F)c2ccccc2)n1 730071739 CGWUGHHQZIQFLH-FOIQADDNSA-N 440.521 5.169 30 20 IKED N#C[C@@H](C(=O)[C@H](Oc1cc(Cl)ccc1Cl)c1ccccc1)c1nc2ccccc2o1 730398691 LMULUBDDVVCHRH-KSFYIVLOSA-N 437.282 6.131 30 20 IKED CC(C)c1cccc(O[C@@H](C(=O)OCC(=O)Nc2ccc(CC#N)cc2)c2ccccc2)c1 730642898 DZBGJYKFMCKNFA-AREMUKBSSA-N 442.515 5.178 30 20 IKED CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 732377282 GNRZWKDEQROGJG-UHFFFAOYSA-N 442.515 5.465 30 20 IKED C#CCN(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCOc2ccc(Br)cc21 733112386 HZSVBGUHFMPREM-CKEIUWERSA-N 444.291 5.103 30 20 IKED N#CCOc1ccc(COC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1 733432764 QBOVXGCPRKWJFJ-UHFFFAOYSA-N 431.275 5.227 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(SC(F)F)cc2)cs1 734980796 LJSPGFGFFQSORW-IZZDOVSWSA-N 448.491 6.178 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F 735578615 OTHVWQHFYNDPTK-UHFFFAOYSA-N 429.492 5.401 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3Cl)c2C#N)C1 740775129 PYRJWFOOIZKSES-LBPRGKRZSA-N 445.972 5.997 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C)c(NC(=O)NC(C)(C)C)c2)cc1 741111208 IPZJSGXIYUHTNW-IERDGZPVSA-N 448.567 5.390 30 20 IKED CCCC(=O)Nc1ccc(O)c(C(C)=NNc2c(F)cc(F)cc2Br)c1 741772632 XKPZHYQKVMMNSN-UHFFFAOYSA-N 426.261 5.008 30 20 IKED Cc1ncsc1/C=C1/CN(c2ccc(F)cc2F)C/C(=C\c2scnc2C)C1=O 742434133 FAKQRDBDBLYSHG-YOENDLTHSA-N 429.517 5.051 30 20 IKED Cc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1NC(=O)OC(C)(C)C 742536821 RMLRVGYKRXOSLK-UHFFFAOYSA-N 444.491 5.653 30 20 IKED N#Cc1ccc([C@@H]2NC(=S)N(C3CC3)C(c3cccs3)=C2c2nc3ccccc3[nH]2)o1 743741373 DXVIFTRVFKLJTI-FQEVSTJZSA-N 443.557 5.051 30 20 IKED CC(C)(C)c1ncc(/C=C\C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)s1 744026385 XMGSAQXNGDCSBW-WHLNPGIBSA-N 435.521 5.116 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)cc1 744033440 QFDVJNHNAFEKPN-UZLBHIALSA-N 437.515 5.285 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)OCc1nnc(-c2cccc(F)c2)o1 744469284 CUTUSFLULNTMLY-UHFFFAOYSA-N 431.448 5.256 30 20 IKED CC/C(=C/C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(Cl)c1 745757726 IIYYKLZLPLSFGH-WISAJEAXSA-N 442.968 5.567 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1c[nH]c2ccc(F)cc12 747042008 RCOJYKIYKZZJBI-UHFFFAOYSA-N 436.899 5.589 30 20 IKED C[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)C(=O)c1cccc(F)c1 747112757 DTQWBKGVUAMQHV-SWLSCSKDSA-N 428.435 5.313 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)OC(=O)c1cc(C#N)cn1C 751287442 UYVMDVMVZRZOFN-LBPRGKRZSA-N 430.327 5.009 30 20 IKED C[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)C(c1ccccc1)c1ccccc1 754275845 WSBSQTATHQRGFP-XXBNENTESA-N 432.527 5.034 30 20 IKED CC(C)C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)N1CCCCC1=O 756232035 PLKLJGYIGIZFCW-MJGOQNOKSA-N 429.973 5.067 30 20 IKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1C1CC(F)(F)C1 757898555 PLZUAQOMWLRBFU-LJQANCHMSA-N 443.519 5.007 30 20 IKED C#CCC(C)(C)COC(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 760274728 ZVOOTNZRFUMOTD-OAHLLOKOSA-N 440.590 5.278 30 20 IKED N#CCOc1cccc(CC(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)(F)F)c1 760483820 GAQNKAAJXGTWMY-UHFFFAOYSA-N 448.388 5.443 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cc(-c3ccccc3)cnc2C)ccc1OC 760805419 CUIDQLQPFCBYJK-NRFANRHFSA-N 430.508 5.068 30 20 IKED N#Cc1c(F)ccc(/C=C2/COC/C(=C\c3ccc(F)c(C#N)c3Cl)C2=O)c1Cl 761479387 JYJGDQNCLHAJRB-FUJGBLOQSA-N 431.225 5.081 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2cccc(F)c2)c2ccccn2)cc1 766290166 SINCGAITMVIENN-AOYPEHQESA-N 436.490 5.787 30 20 IKED N#C[C@H](C(=O)CCCc1ccccc1Br)c1nc(-c2ccncc2)cs1 766326548 RQIXYXHAPHIWMT-MRXNPFEDSA-N 426.339 5.167 30 20 IKED CCN(c1ccc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1)C(C)C 770097208 NNOQIFOQZMEALG-GOSISDBHSA-N 434.565 5.000 30 20 IKED COc1ccc(CNc2ccc(N3CCc4sccc4C3)cc2)cc1OCCCC#N 770550691 ORIPKEVJNLHYPT-UHFFFAOYSA-N 433.577 5.614 30 20 IKED Cc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)ccc1NC(=O)OC(C)(C)C 772059886 YHGLBKONNHFHIW-UHFFFAOYSA-N 444.491 5.653 30 20 IKED C[C@H](NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1ccc(OCC#N)cc1 776162748 KGJUKMLKSCHNOH-INIZCTEOSA-N 427.426 5.646 30 20 IKED CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)C1 778606001 KVJIACYNLAWFGI-YOEHRIQHSA-N 445.972 5.287 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1csc(-c2ccc(Br)s2)n1 780175876 HPJFJPWWGHSMKD-SNVBAGLBSA-N 434.340 5.177 30 20 IKED COc1ccc(NC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1NC(=O)C1CCCCC1 780579226 MSKUMFNTCWNLMS-INIZCTEOSA-N 436.512 5.149 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2ccccc2O[C@@H](C)C#N)c2ccccc2Cl)cc1 780681860 QXKXIRJRIGDECK-QMHKHESXSA-N 435.911 5.551 30 20 IKED CC[C@@H](C#N)OC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 781141572 LXRWUXPMORNKPK-KRWDZBQOSA-N 427.576 5.415 30 20 IKED CC(C)(C)OCc1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 785183025 GRMIEWUVPATQJH-DEOSSOPVSA-N 441.531 5.234 30 20 IKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)C[C@@H]1C[C@@H](C(C)C)c2ccccc21 786324598 FHLOTSPYZOQIIH-YYWHXJBOSA-N 434.536 5.017 30 20 IKED Cc1ccc(NCc2ccc(O[C@@H](C)C#N)cc2)cc1Oc1ncccc1Br 790936400 ADDQENPANXDCKR-INIZCTEOSA-N 438.325 5.848 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(COC(=O)c2ccc(C(C)(C)C#N)cc2)cs1 796038248 BGINIILMHKVODO-UHFFFAOYSA-N 437.496 5.125 30 20 IKED CC(C)(C)OC(=O)NC1[C@H]2CCC[C@H]1CC(C(=O)Nc1ccccc1SCCC#N)C2 796271647 QOBTWRKXHPRFFL-IRDVNMAFSA-N 443.613 5.350 30 20 IKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)sc2ccc(C#N)cc12 796748760 WFTQFJXRXNUEKG-CQSZACIVSA-N 428.300 5.349 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1 799335778 KNKJXXPUGPISLV-GOSISDBHSA-N 447.516 5.357 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)c1cc(C)n(-c2ccccc2)c1C 801666476 RMRSSORWPKFQGU-UHFFFAOYSA-N 429.907 5.125 30 20 IKED CS(=O)(=O)c1cccc(Br)c1NCc1cccc(-c2ccc(C#N)s2)c1 804484148 KQHSTUQUJHMTTK-UHFFFAOYSA-N 447.379 5.065 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)cc1 806200504 FUSJJVOCJBVWRP-AOYPEHQESA-N 445.513 6.436 30 20 IKED C#CCN(C(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1)C1CCCC1 810166885 QZWGJAUWMNMNOO-UHFFFAOYSA-N 443.906 5.150 30 20 IKED CC(C)(C)OC(=O)N1CCCc2c(C(=O)N[C@H](CCCC#N)c3ccccc3)cccc21 817318595 DHEOXEABYGBSRZ-JOCHJYFZSA-N 433.552 5.539 30 20 IKED C=CCOc1ccccc1C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 913366268 CHCGYFIMAHDAJL-GFCCVEGCSA-N 427.806 5.108 30 20 IKED Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915085572 NSRPCLABHYLPOO-XMMPIXPASA-N 437.547 5.120 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(OCc3cscn3)c2)cc1 915087950 YNUQQDXHZCVPDS-XMMPIXPASA-N 425.513 5.630 30 20 IKED N#C[C@H](C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1nc(-c2ccccc2)cs1 915102602 ZTCWOLQZKWVONK-GOSISDBHSA-N 448.935 5.713 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCCc2ncc(-c3ccccc3)o2)cc1 916950226 SJSFCMRIMXXFJO-PGRDOPGGSA-N 429.520 5.525 30 20 IKED N#Cc1c(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)sc2c1CCCCCC2 917782884 GZGZZVYWIKMWFC-OUKQBFOZSA-N 447.604 5.169 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1cnc(-c2ccc(C(C)C)cc2)s1 919252925 QNQMOIXGNPGONW-UHFFFAOYSA-N 436.581 5.337 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1 921131594 MDIUSCPWUIQRBO-GFCCVEGCSA-N 436.345 5.448 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)/C(C)=C/c3ccc(C)o3)CCC2)cc1 1786367078 YLYQZVFRGWOWMQ-VHEBQXMUSA-N 436.552 5.108 30 20 IKED COc1ccc(Cl)c(C(=O)NC2(c3ccc(NC(=O)[C@@H](S)C(C)C)cc3)CCC2)c1 1786396086 PLSCEEAZFKNFCX-FQEVSTJZSA-N 447.000 5.051 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccn(C(C)(C)C)n3)cc2)CCC1 1787121825 KLHQCVPZVHIUSH-NRFANRHFSA-N 434.584 5.154 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)cc2)CCC1 1787770495 WPCNBBNROPNVTE-UHFFFAOYSA-N 442.481 5.186 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CNc4ccccc43)CCC2)cc1 1789451543 LHYXVJKUSJYJEK-GGAORHGYSA-N 429.564 5.098 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3cc(C)[nH]c23)n[nH]1 1818651804 ZEFNBPLRACJPLO-KNQAVFIVSA-N 445.567 5.274 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc(Cl)ccc2F)CC1 1823750600 PLDQVLHPYWLOBE-IBGZPJMESA-N 449.998 5.100 30 20 IKED Cc1ccc(-c2ccccc2C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCC#N)CC2)cc1 1826693516 JULSICVBJXFSGA-SANMLTNESA-N 443.591 5.199 30 20 IKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1)C(F)(F)F 1831453499 AESPYEPXQUYYOB-JBACZVJFSA-N 442.566 5.187 30 20 IKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cc(Cl)ccc2Cl)CC1 1831861846 ZQHIBZYVWZEVLI-NRFANRHFSA-N 437.411 5.122 30 20 IKED Cc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccccc3C#N)nnc2-c2ccccc2)cc1 10239597 WGRWJFWLWCZYRY-GOSISDBHSA-N 439.544 5.234 30 20 IKED C=CCn1c(SCC(=O)N(c2ccccc2)C(C)C)nnc1-c1ccc(Cl)cc1 21127334 BVEHNJMFAAGSAX-UHFFFAOYSA-N 426.973 5.318 30 20 IKED C[C@@H](SC1=Nc2ccccc2CS1)C(=O)Nc1sc2c(c1C#N)CCCCC2 22022528 JFIZGXYCVSGCOG-CYBMUJFWSA-N 427.620 5.883 30 20 IKED O=C(COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(F)cc1Cl 28280340 LDPVSEICIHWUDH-UHFFFAOYSA-N 443.702 5.312 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2c(C)cccc2C)c1 36281034 LEFIHADHALHGRT-UHFFFAOYSA-O 434.541 5.167 30 20 IKED O=C1/C(=C/c2ccc(F)cc2)CC2(C/C1=C\c1ccc(F)cc1)C(=O)Nc1ccccc12 40146066 LRJRMZRQLYDBFT-IWGRKNQJSA-N 427.450 5.685 30 20 IKED Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 107659544 MFCCUUJOYRZZES-HSZRJFAPSA-N 434.971 5.646 30 20 IKED CC[C@H](C#N)Oc1cccc(CNCc2cn(-c3ccccc3)nc2-c2cccs2)c1 236900891 AMSVSYNLAVCVDK-JOCHJYFZSA-N 428.561 5.572 30 20 IKED C=CCn1c(SCC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nnc1-c1ccccc1 301605284 LJYATWAUULQBIJ-UHFFFAOYSA-N 434.565 5.091 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 303068844 OBWYZJCYSBTDSF-QHCPKHFHSA-N 435.911 5.228 30 20 IKED Cc1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c(OC[C@@H]2CCCO2)c1 303652921 UQVSHALFTZSGLT-DEOSSOPVSA-N 442.515 5.256 30 20 IKED CCCN(CC#Cc1ccc(C(F)(F)F)cc1)C1CCN(C(=O)c2ccccc2)CC1 427001486 JNAKXQHYMKIABI-UHFFFAOYSA-N 428.498 5.074 30 20 IKED C[C@H](c1cccc(Br)c1)[S@@](=O)Cc1cc(C#N)ccc1Br 427477972 DAJXIMQFMOIAPW-FIKIJFGZSA-N 427.161 5.093 30 20 IKED Cc1cccc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c1NC(=O)c1ccccc1F 430589540 IHWCJEYJWVQWKQ-QGZVFWFLSA-N 435.524 5.631 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cccc(OCc3cn4ccccc4n3)c2)s1 430618531 VDFNZSVBDCEJSF-IBGZPJMESA-N 430.533 5.157 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 431978286 VTTFUXQATMCIQS-NLFFAJNJSA-N 427.548 6.158 30 20 IKED N#Cc1cccc(C2(C(=O)Nc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)CC2)c1 435954915 DRAAECMHAOFENJ-UHFFFAOYSA-N 430.895 5.526 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H](C)O[C@H](c2ccc(F)cc2)C1 437839370 MNLKCSLLFBYJNK-BVZFJXPGSA-N 445.494 5.792 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccnc(Oc2ccccc2Br)c1 438389010 CQLRDJXSRCKGNB-UHFFFAOYSA-N 437.297 5.172 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1F 438653337 CPQVLZOTTRHNEI-HXUWFJFHSA-N 435.455 5.296 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccncc3OCC(F)(F)F)cc2)c1 439515675 VIPXEXVUGGYXAD-UHFFFAOYSA-N 442.397 5.008 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1 439577978 WWWZKAQDMIYPNP-IBGZPJMESA-N 440.503 5.106 30 20 IKED CCCCN(C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H](CC)c1ccccc1 441889195 MLRYHOFZUBGZBO-HXUWFJFHSA-N 431.458 5.296 30 20 IKED CCN1CC[C@@H](N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C[C@H]1C 444032855 LBIPEDHNRXCOMA-VQIMIIECSA-N 426.948 5.340 30 20 IKED COc1ccc(CN(C(=O)c2cccc(COc3ccccc3C#N)c2)c2ccncc2)cc1 460375707 QIKYQQZYLVGFOL-UHFFFAOYSA-N 449.510 5.388 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1 460492265 ILAUBAYQRXNBRE-UHFFFAOYSA-N 431.492 5.169 30 20 IKED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@@H]1c1ccc(Br)c(F)c1 460587990 WPYZNHZJOIGOTF-GDIGMMSISA-N 449.368 5.195 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Nc2cccc(NC(=O)c3ccccc3)c2)c1 467424342 SFTOCOADAPEFRY-NRFANRHFSA-N 440.547 5.303 30 20 IKED N#Cc1cccc(-c2cc(C(=O)N3CCC[C@@H]3c3ccc(Br)s3)on2)c1 469268855 STKFNFUPPVISET-OAHLLOKOSA-N 428.311 5.015 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cccc(NC(=O)N(C)C)c2C)cc1 471377011 SIVVFMNVNMOCRR-UHFFFAOYSA-N 428.492 5.313 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCSC3(CCOCC3)C2)cc1Cl 473672266 AORPJHHTOJQRHO-HXUWFJFHSA-N 441.984 5.125 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 474434707 SOQQSPZODPFHJL-AWEZNQCLSA-N 443.981 6.032 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(NC(=O)c2ccncc2)cc1 475580215 KHIVYCVVNQCPDX-UHFFFAOYSA-N 428.536 5.508 30 20 IKED Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccccc3SC[C@H](C)C#N)n2)n1 475761610 JGIKZWDQQSZTEQ-CYBMUJFWSA-N 425.945 5.042 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N[C@H](Cc2ccccn2)c2ccc(Br)cc2)cc1 476986017 QDTPVSJSYUXXPA-JOCHJYFZSA-N 448.364 5.359 30 20 IKED N#Cc1ccc(CN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c(Br)c1 481092401 MUIRQCURJAPWDE-CYBMUJFWSA-N 430.293 5.176 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cnccc2Oc2ccccc2)nnc1-c1ccco1 481243096 RYKGECKTKNONBQ-UHFFFAOYSA-N 447.520 5.032 30 20 IKED C=C(C)Cn1c(S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccncc1 481337738 CFFHKGCPPMXQBR-AWEZNQCLSA-N 447.486 5.054 30 20 IKED CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481633153 YDIUZZBCBPYVHW-UHFFFAOYSA-N 433.483 5.339 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]3Cc3ccccc3)cc2F)c1 481741550 MFRYXFOWDWWOEH-HSZRJFAPSA-N 429.495 5.515 30 20 IKED N#CCCCOc1cccc(NC(=O)CCCC(=O)c2ccc(Br)cc2)c1 483091312 FRQDXPXKOZWIGK-UHFFFAOYSA-N 429.314 5.123 30 20 IKED CSc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1[N+](=O)[O-] 487018461 YTTAMMRFQKXVPF-AWEZNQCLSA-N 429.910 5.584 30 20 IKED C=CCn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nnc1-c1ccccc1C 488917237 YODJETZGJKSKRL-UHFFFAOYSA-N 441.560 5.283 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4ccccc4n3CC(F)(F)F)n2)cc1 489852616 KEKXUUUMJLVICI-QGZVFWFLSA-N 439.462 6.126 30 20 IKED C[C@H](N[C@H](C)c1nc(C(F)(F)F)cs1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 490075850 ZMGXDSLCMFRPJI-JGVFFNPUSA-N 436.343 6.611 30 20 IKED C[C@H]1[C@@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCN1Cc1ccccc1 494028524 RNIYESFNZCHBPT-CPJSRVTESA-N 441.600 5.243 30 20 IKED N#Cc1ccccc1COc1cccc(CN2CCC[C@H](c3ncc4n3CCCC4)C2)c1 502344048 TXXBGRCHMSMGTF-QHCPKHFHSA-N 426.564 5.050 30 20 IKED C[C@@H](C#N)CSc1ccccc1N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 506266982 GKGKGUGHWDXFQI-KSSFIOAISA-N 435.471 5.054 30 20 IKED Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 509113234 SCDIPEGUEAVOAJ-UHFFFAOYSA-N 438.487 6.085 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H]3c3ccc(F)cc3)c2)cc1 509917558 DLXALGLDVWIYKK-RUZDIDTESA-N 429.495 5.840 30 20 IKED C=CCN(C(=O)c1cccc(NC(=O)c2ccco2)c1)c1nc(-c2ccccc2)cs1 510636721 CYENLBHEMXGENA-UHFFFAOYSA-N 429.501 5.488 30 20 IKED N#CCSc1ccccc1NC(=O)CN1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 511067361 VLSPKGHVRQMKNP-QGZVFWFLSA-N 433.499 5.139 30 20 IKED F[C@H](c1ccc(C(F)(F)F)cc1)c1noc(Cn2c(C(F)(F)F)nc3ccccc32)n1 511984081 VZQRZZNSPCXMGW-OAHLLOKOSA-N 444.310 5.564 30 20 IKED N#C[C@H](C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1nc2ccccc2s1 513695282 ASXRQYTYTHRPMM-OAHLLOKOSA-N 427.514 5.096 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4cc(C#N)c5ccccc5n4)cc3)o2)c1 515252174 MAGBQMFJBGXOMP-UHFFFAOYSA-N 431.455 5.384 30 20 IKED CCc1ccc([C@H](C#N)NC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)cc1 517260952 PMLIPXIAPDBDOS-QHCPKHFHSA-N 449.620 5.127 30 20 IKED Cc1nccn1-c1ccc(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1F 517655547 IDXZCOCQRUBDEK-UHFFFAOYSA-N 440.478 5.108 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(-n2cnc3ccccc32)cc1 518260094 UYAMFJCWGMDQDJ-SFHVURJKSA-N 441.560 5.741 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ccccc1Oc1ccccc1 518260895 ZXMLIPOABDLABO-SFHVURJKSA-N 445.544 5.128 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 519424279 YGTHMATZHFUTMD-HNNXBMFYSA-N 448.514 5.207 30 20 IKED Cc1[nH]c2ccccc2c1C1=CCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 519449126 WAMOQEJIHFEDJY-KRWDZBQOSA-N 430.577 6.049 30 20 IKED CC(C)CN(Cc1ccccc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 519914041 CNXNULLIXGYIHF-UHFFFAOYSA-N 437.594 5.392 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 522878520 IFZUUWVPTAEEIO-UHFFFAOYSA-N 444.278 5.141 30 20 IKED CN(CCCC(=O)OC(C)(C)C)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 523945093 VIGHFUYTUHCKJC-UHFFFAOYSA-N 428.916 5.198 30 20 IKED COCCOc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c(C)c1 523958590 ASLPGSNDLKRWOD-UHFFFAOYSA-N 436.895 5.590 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCN(Cc3ccsc3)CC2)c1 534525273 FNCZYQLEYOJJKH-UHFFFAOYSA-N 437.952 5.023 30 20 IKED COc1ccccc1COc1cccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)c1C 534748735 KGTCXFWXTQOYJG-QHCPKHFHSA-N 429.520 5.749 30 20 IKED CCCN(C(=O)c1ccc(CC#N)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 535471364 FMVGJOFAAVXLMH-UHFFFAOYSA-N 430.360 6.240 30 20 IKED CC(C)Sc1ccc([C@H](C)NCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 538203441 MDLYLKIWYXVSIW-ROUUACIJSA-N 427.639 5.871 30 20 IKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccccc1Oc1ccccc1C#N 538677232 WOBLUNAJONESAM-UHFFFAOYSA-N 447.494 6.164 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)N[C@H](CCC#N)c1ccccc1 539050179 FNLTTWCILLLOSP-MGPUTAFESA-N 440.410 6.577 30 20 IKED Cc1ccccc1OCCCC(=O)Nc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 539498871 SIAFFABQZJZXRD-OAQYLSRUSA-N 427.548 5.515 30 20 IKED C[C@H](NC(=O)Nc1ccc(-c2csnn2)cc1)c1ccc(-c2cccc(C#N)c2)cc1 541993250 DCWUOTAXXGADNE-INIZCTEOSA-N 425.517 5.626 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC(CCCn3ccnc3)CC2)cc1 542168474 VALCANBAAYKEQL-UHFFFAOYSA-N 432.499 5.019 30 20 IKED COc1cccc([C@@H]2C[C@H](C)CN2C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1 542385595 MGARLJHIFDYBDL-BTYIYWSLSA-N 435.915 5.021 30 20 IKED C[C@H]1C[C@H](CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCO1 544247635 HJPRDXLHEUTGNI-DLBZAZTESA-N 427.932 5.117 30 20 IKED Cc1cccc(Oc2cc(CNC(=O)N(Cc3ccc(C#N)cc3)C3CC3)ccn2)c1C 544314393 KXJNEMWFUISVEL-UHFFFAOYSA-N 426.520 5.237 30 20 IKED CC(C)n1ncc2c1C[C@H](NC(=O)c1ccc(Oc3ccccc3C#N)c(Cl)c1)CC2 551700575 HFRPKESYPURZKI-LJQANCHMSA-N 434.927 5.069 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Cc3cc4c(ccc5ccccc54)o3)CC2)c(F)c1 560763637 KTJRNKOGKZCXEQ-UHFFFAOYSA-N 428.463 5.209 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H]1c1ccccc1Cl 567547831 HSBZELOSBLEENL-VJBMBRPKSA-N 434.971 5.704 30 20 IKED O=C(Nc1ccccc1C#Cc1ccccc1)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 569529037 PQBXYFOJHCOGLQ-XZOQPEGZSA-N 442.519 5.080 30 20 IKED C=CCN(C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1nc2c(s1)CCCC2 592573082 XXIQZQAGAYKDID-UHFFFAOYSA-N 433.364 5.347 30 20 IKED CN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H]1CCCc2ccccc21 603828305 BGGLWSCGGFIOAB-SANMLTNESA-N 425.532 5.873 30 20 IKED N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1nc2ccccc2n1C(F)F 603846319 OJHMTQJBOIJINV-KRWDZBQOSA-N 448.385 5.622 30 20 IKED COc1ccc(-c2nnc(S[C@H](C#N)Cc3ccccc3)n2C2CCCCC2)cc1OC 603982897 AQOOGOCFXWBPEX-NRFANRHFSA-N 448.592 5.694 30 20 IKED COc1ccc([C@H](NCCC(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc2)cc1 604475135 DVPACUIUOZVCQW-RUZDIDTESA-N 445.588 5.215 30 20 IKED Cc1ccc(-c2nc(CCNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)co2)cc1 608843144 JLFHPECEBYMCOS-UHFFFAOYSA-N 439.475 5.073 30 20 IKED Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2cc(C#N)ccc2OC(C)C)c2ccccc2)cc1 609228067 ABGZDHZRHPZWHS-QHCPKHFHSA-N 441.531 5.154 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2cccc(CN3CCCC3)c2)cc1 609306994 RMQOIPHEDUQPIU-UHFFFAOYSA-N 429.495 5.015 30 20 IKED N#CCCCOc1cccnc1NC(=O)CCCSc1ccc(Br)cc1 609379595 YUUKGRFMODURSM-UHFFFAOYSA-N 434.359 5.038 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc(OCc4cccnc4)c3)cc2)cc1 609500862 JHPKNWDTOWLZIR-UHFFFAOYSA-N 435.483 5.771 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@H](c4cc5ccccc5[nH]4)C3)c2)cc1 609660246 WNIMIKCIWHFBIQ-DEOSSOPVSA-N 435.527 5.638 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3CCCN(c4ccccc4)C3)c2)cc1 609681822 BLUQLNYAAQVOCJ-DEOSSOPVSA-N 440.547 5.122 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCO[C@H](c3ccccc3F)C2)c1 609731387 LDRVOXMUTWDCHH-QHCPKHFHSA-N 436.870 5.357 30 20 IKED CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1 609987975 YEHWHWVJVOXBDN-UHFFFAOYSA-N 447.560 5.267 30 20 IKED Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 609989188 JETWZXQAGTXTMN-UHFFFAOYSA-N 426.520 5.847 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1)C(C)C 609991864 YGAPEYBWEWXAAY-UHFFFAOYSA-N 426.520 5.311 30 20 IKED C[C@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 610401192 VBIJCFMVVNLJRM-DLBZAZTESA-N 430.483 5.071 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 610605465 IEMARTUGLOQUIP-GJZGRUSLSA-N 444.400 5.522 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)c(Cl)c1 611096867 OOKCQTZZROJKSF-UHFFFAOYSA-N 439.277 5.724 30 20 IKED N#Cc1ccccc1/C=C/c1nc(-c2ccccc2-c2ccc(CN3CCCC3=O)cc2)no1 612882756 DUIVPNSSBKKPIN-FOCLMDBBSA-N 446.510 5.568 30 20 IKED C=CCOc1ccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1 613717967 KRMCOIMUYXMVOW-HXUWFJFHSA-N 433.335 5.192 30 20 IKED O=C(Nc1ccc(OC(F)F)c(Cl)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618539500 NLHQQWFZGGIVIC-OCAPTIKFSA-N 440.718 5.536 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1 626584190 JDIXBZBTRZADGC-UHFFFAOYSA-N 435.911 5.479 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1csc(Br)c1 642250032 KBAWIPMXVGHSOF-UHFFFAOYSA-N 440.363 5.299 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1OC 642282576 GYBCTQBXDYBLRT-CYBMUJFWSA-N 433.842 5.372 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)nnc1-c1ccccc1 662024507 KJXSLTKVSRXOQB-JKSUJKDBSA-N 426.973 5.143 30 20 IKED C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 670223749 ZFPPDHBRHYADQO-FQEVSTJZSA-N 443.551 5.001 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 670230070 WODXKSASUMGMDY-MGPUTAFESA-N 444.988 5.211 30 20 IKED Cc1cc(-c2cc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)c3c(C)noc3n2)c(C)s1 677974268 HGYSNHBGDIQERD-IBGZPJMESA-N 438.512 5.915 30 20 IKED C[C@H]1CCN(c2cc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)ccn2)C1 681352001 HBHNHSJQFPLORG-WFASDCNBSA-N 430.455 5.046 30 20 IKED CC(C)[C@@H](Sc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 727234000 CIIHIXCUGYSAMU-YCRPNKLZSA-N 428.529 6.081 30 20 IKED Cn1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1NC(=O)/C=C/c1ccccc1C#N 727745727 JSYIKQHPOYKSQY-DHZHZOJOSA-N 430.817 5.283 30 20 IKED Cc1ncccc1/C=C1/CN(Cc2c(F)cccc2Cl)C/C(=C\c2cccnc2C)C1=O 728786927 AJQRRAURWSXQMB-VZHHCOETSA-N 447.941 5.438 30 20 IKED N#CCOc1ccc(CNCc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)cc1 729685352 LUJCCLQZKGYLBW-UHFFFAOYSA-N 428.923 5.385 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC([C@@H](O)c4ccc(F)cc4)CC3)c2)cc1 731054781 LCBSLCSBBCLOPQ-VWLOTQADSA-N 430.479 5.075 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc2c3c([nH]c12)CCCC3 731071632 VCZAWKWZVHBPMS-MRXNPFEDSA-N 447.560 5.236 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)ccc1F 731331990 ZJUZODICQOIHOF-UHFFFAOYSA-N 447.466 6.089 30 20 IKED COc1ccc(-c2ccc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)c(F)c2)cc1 731645480 NPSCGXRJRQHBEB-NRFANRHFSA-N 428.385 5.515 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN(C)[C@H]2CCCc3nc(C)sc32)c1=S 732188211 BHIREAMFMLMAQA-SFHVURJKSA-N 446.045 5.652 30 20 IKED FC(F)(F)c1cc(NN=Cc2c(Cl)ccc(Cl)c2Cl)nc(-c2cccnc2)n1 733080722 YGQCPFSWHQFNGF-UHFFFAOYSA-N 446.647 5.964 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(Cl)cc1Cl)[n+]1cccc(O)c1Cl 735665336 BKZMSCAUIZBOMS-UHFFFAOYSA-O 430.764 5.017 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 739155714 SZQOIHUFHLWVGS-QRWLVFNGSA-N 430.470 5.671 30 20 IKED Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740454825 SQKDHHOZAHMOEA-UHFFFAOYSA-N 446.576 5.902 30 20 IKED O=C(/C=C\c1ccc(N2CCOCC2)c(F)c1)c1ccc(SCC(F)(F)F)cc1 741842488 LTDTYXNSZUOVHC-WAPJZHGLSA-N 425.447 5.213 30 20 IKED CCN(C(C)=O)c1nc(/C=C/C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2C)cs1 743056522 WZWBZJIGZZZVRP-SOFGYWHQSA-N 449.363 5.213 30 20 IKED COc1ccc(/C=C2/SC(=S)N(CCSc3ccc(Cl)cc3)C2=O)cc1C#N 743280623 SHMDKWGYNRIULI-WOJGMQOQSA-N 447.006 5.214 30 20 IKED COc1cc2c(cc1NC(=O)N(CCN(C)C)Cc1cccc(C#N)c1)oc1ccccc12 744277664 BHVNBALSKMDQGK-UHFFFAOYSA-N 442.519 5.062 30 20 IKED C[C@H](CC(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1ccccc1C(F)(F)F 745223202 PCZJVSKUAQHVMU-MRXNPFEDSA-N 442.437 5.493 30 20 IKED N#CCCn1cc(C(=O)CN2CCCCC[C@@H]2C[C@@H](O)c2cccs2)c2ccccc21 750835123 HUHZNIOEYMHLOI-AUSIDOKSSA-N 435.593 5.167 30 20 IKED CC(=NOCc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1ccc(NC(=O)C2CC2)cc1 751260819 RDFNKWIKJNTVQJ-UHFFFAOYSA-N 444.413 5.045 30 20 IKED CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)Nc1ccccc1SC[C@H](C)C#N 751548220 QBPAQCAVRJWQEP-DYESRHJHSA-N 429.561 5.301 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)cc1C#N 752300423 GIKHOPHWDXTELH-IBGZPJMESA-N 447.322 5.802 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@H]2c2cccc3ccccc23)cc1C#N 752305608 PSDXRCNXOMIELJ-QHCPKHFHSA-N 428.492 5.649 30 20 IKED N#CCOc1cccc(NC(=O)NC2(c3noc(C4CCCCC4)n3)CCCCCC2)c1 753298465 NYQJRWSWNAUBJB-UHFFFAOYSA-N 437.544 5.391 30 20 IKED CC(C)(C)OC(=O)N1CCc2c(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cccc21 753899726 RQTLQJUIYHAIIZ-NZQKXSOJSA-N 446.551 5.288 30 20 IKED C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 755641763 WMBJVJAZHCAPDB-LMRWQKIVSA-N 425.416 5.276 30 20 IKED N#CCOc1ccc(CN[C@H](c2cccc(F)c2)c2cccc(Br)c2)cc1 759164490 ZEIYONZLECIVPN-QFIPXVFZSA-N 425.301 5.370 30 20 IKED COc1ccc(C[C@@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 759204791 DQGFTSPOOBWSTR-XMSQKQJNSA-N 428.488 5.014 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3ccc4ccc(Cl)cc4n3)n2)cc1 759268003 LCZDSYWDQFAQGC-NHHWLVAYSA-N 445.931 5.910 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3ccc(F)cc3OCC#N)c3c(C)noc3n2)c(C)s1 760784106 MZNVJPANQKBZHR-UHFFFAOYSA-N 436.468 5.170 30 20 IKED CC(C)Sc1ccccc1NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 761132996 HLZJOGTVIGTLBN-UHFFFAOYSA-N 435.574 5.042 30 20 IKED C[C@@H](C#N)Oc1ccc(CN[C@@H](C)c2nc(-c3ccc(Br)cc3)cs2)cc1 763533426 QWNOFDDTKBBRBJ-GJZGRUSLSA-N 442.382 5.714 30 20 IKED COC(=O)C(C)(C)[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 765907422 IUVJACDVTGILAU-DNQXCXABSA-N 441.531 5.404 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CCCN1Cc1ccc(F)cc1)c1nc(-c2c(F)cccc2F)cs1 768791193 YECJYBLGQIBTAX-JXFKEZNVSA-N 441.478 5.068 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(OC)c(Cl)c2)c1 772646872 VGMHMHUERFIZQV-HXUWFJFHSA-N 448.906 5.375 30 20 IKED C=CCSc1ccccc1C(=O)OCc1csc(N(C(C)=O)c2ccc(F)cc2)n1 777075303 CYABYCWNRNXPIV-UHFFFAOYSA-N 442.537 5.602 30 20 IKED Cc1cc(C)c(NC(=O)COC(=O)c2ccccc2Oc2ccccc2C#N)c(Cl)c1 778178449 TVHPSUPAOMUHKO-UHFFFAOYSA-N 434.879 5.416 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3csc(-c4cccc5ccccc45)n3)o2)cc1 778190015 AROCNANPHFBKJI-UHFFFAOYSA-N 438.468 5.242 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)[C@H](C#N)C(=O)N[C@@H](CC)c2ccccc2)c1 787038834 DDZYJRICELCNMK-ZEQRLZLVSA-N 426.516 5.342 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2C[C@H](C)CC[C@@H]2c2ccccc2OC)c1=S 795673663 HLTVHWMODOBYFF-WIYYLYMNSA-N 435.597 5.101 30 20 IKED Cc1ccc(C)c(NC(=O)Cc2nc(COC(=O)C[C@H](CC#N)c3ccccc3)cs2)c1 795982732 RZOFRHZHBRJYCG-FQEVSTJZSA-N 447.560 5.072 30 20 IKED Cc1nn(-c2ccccn2)c(Cl)c1CNc1ccc(OCc2cccc(C#N)c2)cc1 809635790 KQCWABBWOLWYKM-UHFFFAOYSA-N 429.911 5.292 30 20 IKED C=CCOc1ccccc1CN(C(=O)CCc1c(C)nn(C)c1C)c1ccc(C)c(C)c1 809784496 HNBIWQFADSIORO-UHFFFAOYSA-N 431.580 5.385 30 20 IKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)OC1(CC#N)CCC1 810858097 LBSRCYPIDKTZQB-AWEZNQCLSA-N 439.562 5.065 30 20 IKED CC[C@@H](C#N)Oc1cc(CNc2ccc3ccc(Br)cc3n2)ccc1OC 811805338 JWITUYBVRLFZFY-KRWDZBQOSA-N 426.314 5.299 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1ccc(OCc2ccccc2)cc1 857314231 UXCMMSLXOZISOT-FQEVSTJZSA-N 429.520 5.021 30 20 IKED COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(Cl)s3)cc2OC)o1 916135663 FAXQWJIEBHAIAT-ZZXKWVIFSA-N 432.881 5.265 30 20 IKED N#C[C@H](C(=O)CSc1nnc(-c2cccs2)n1Cc1ccccc1)c1ccccc1 916622740 JWIKKVUCGOQVMO-IBGZPJMESA-N 430.558 5.023 30 20 IKED CC[C@H](C)c1ccccc1OCC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916908003 KMVBWNBGWJYKCL-SIKLNZKXSA-N 442.515 5.719 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCCOc2cccc3ccccc23)cc1Cl 916939398 GNMQXIHCZCFLOM-LJQANCHMSA-N 436.895 5.008 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(s2)-c2ccccc2OC3)cc1 916947323 HKFDWVUQSNMEQK-YWZLYKJASA-N 430.529 5.782 30 20 IKED C=CCn1c(Sc2nn3cc(-c4ccccc4)nc3s2)nnc1-c1ccccc1OC 917027918 OXAMHEMIKZTECT-UHFFFAOYSA-N 446.561 5.062 30 20 IKED Cc1sc2ncnc(SCC(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c2c1C 917044387 RMKXLKWJHBGOKI-LBPRGKRZSA-N 444.994 5.540 30 20 IKED C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920141978 OHBBBNGSWXLVDD-HRAATJIYSA-N 429.545 5.623 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(OCC(F)(F)F)cc2)c(Br)cc1O 921268426 AYFQDLOKQPWYOQ-DAXSKMNVSA-N 431.204 5.001 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(C(C)(C)C)nc3)cc2)CCC1 1785778446 MPQSFGULLHQRTO-UHFFFAOYSA-N 449.595 5.110 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789507535 GVWFJIVFBCMHOJ-UHFFFAOYSA-N 442.701 5.091 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCCCCC(=O)OC)cc2)CCC1 1791662417 GKYIKJPGBLACRM-JOCHJYFZSA-N 440.584 5.012 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(O)cc4)CCC3)cc2)c1 1792124623 AVZFAVCAMAEEGB-SFHVURJKSA-N 439.515 5.081 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3occ(Cl)c3c1)C2 1798335877 VWRKZPOXBMNVJP-FCGDIQPGSA-N 426.944 5.106 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)s2)[C@H]1c1cccnc1 1805519718 KDPIWLODWZURPL-FXAWDEMLSA-N 446.016 5.109 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC)cc2C)[nH]n1 1814441659 PJVBYJWVRDXJRY-OAQYLSRUSA-N 438.572 5.025 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CSc2c(C)cccc2C)n[nH]1 1819590263 OLNCZTLBXBDTEZ-ICSRJNTNSA-N 440.613 5.023 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3[nH]c(C)cc3c2)CC1 1824143975 YENRSLLYTFZWOJ-SANMLTNESA-N 447.623 5.478 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccncc23)CC1 1830859442 YUQVABXZJKGNFZ-SANMLTNESA-N 445.607 5.237 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)noc2-c2ccccc2)CC1 1831370951 PHFNJVDNDHXGQT-XXBNENTESA-N 449.595 5.096 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 1831371666 YMAJVGHGCCZJBJ-AUSIDOKSSA-N 443.031 5.204 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(C)CCCCC3)CC2)c1 1831796072 MZBPWFICMWQHHT-PXDATVDWSA-N 449.639 5.517 30 20 IKED N#Cc1ccc(-c2ccc(OC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)cc2)cc1 11328871 CTBHRQYCLMNCMQ-UHFFFAOYSA-N 430.410 5.697 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(-c3ccccc3)cc2)[n+]2ccccc2)c1 14872093 IBIDEAQBSVKEJC-UHFFFAOYSA-O 437.588 6.254 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(SCc2csc(C)n2)cc1 62896661 ZEINIMFIKIQJCI-UHFFFAOYSA-N 439.562 5.480 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)o1 195748564 ZECWKKPWSPLNIM-UHFFFAOYSA-N 427.338 5.143 30 20 IKED C[C@H](C#N)Oc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 237610855 SMHKIYXBDMNPRF-LJQANCHMSA-N 426.495 5.259 30 20 IKED Cc1c(Cl)cccc1N=C1SCCN1C(=O)CCc1ncc(-c2ccccc2)o1 254823457 JABZEWDOYBYTAT-UHFFFAOYSA-N 425.941 5.499 30 20 IKED CCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 261395685 MLHQZJCOBZCSCV-NZQKXSOJSA-N 443.547 5.028 30 20 IKED Cc1ccc([C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)c2cccc(S(C)(=O)=O)c2)cc1 302184691 GXCFFAKOCNPVMS-QFIPXVFZSA-N 444.478 5.491 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@H](c2ccccc2)N2CCCCC2=O)cc1 303333270 KDGHPXAKYFJEAB-VWLOTQADSA-N 425.488 5.043 30 20 IKED N#Cc1ccccc1COc1cccc(CN[C@@H](CC(=O)O)C23CC4CC(CC(C4)C2)C3)c1 426719443 GQMFYROHQHZBGM-MFWYUJQYSA-N 444.575 5.287 30 20 IKED CCCNc1ccc(C#N)cc1NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O 430661161 PDZUEYLDLOGRCX-UHFFFAOYSA-N 438.487 5.266 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNc1ccccc1SC[C@H](C)C#N 435657810 XFHWWIYKSIYVRD-MRXNPFEDSA-N 425.001 6.066 30 20 IKED C[C@H]1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)[C@H]1c1ccc(C(F)(F)F)cc1 437798588 LGKSEPQKLGDUCG-VWKPWSFCSA-N 447.526 6.572 30 20 IKED C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@H](c2ccc(F)cc2)O1 438048363 HIQPGPNZAVGXKN-BXKMTCNYSA-N 431.467 5.484 30 20 IKED COc1ccc(C[C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1OC 438670238 KSMJSZNMSRIWNQ-MRXNPFEDSA-N 449.482 5.260 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1 438725989 UMGTZIWEYMMPJP-GCJKJVERSA-N 449.551 5.018 30 20 IKED CCCc1c(NC(=O)N[C@@H](c2ccccc2)c2ccco2)cnn1-c1cccc(C#N)c1 439662246 IWRBUQARNRIESP-DEOSSOPVSA-N 425.492 5.201 30 20 IKED CCCc1c(NC(=O)[C@@H](C)c2ccc(Br)s2)cnn1-c1cccc(C#N)c1 440073991 FWSJZVUOKQERGJ-ZDUSSCGKSA-N 443.370 5.263 30 20 IKED N#CC1CCC(CNC(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)CC1 440996650 HLOVFBVSWVKXET-MYKUNDNFSA-N 426.358 5.168 30 20 IKED N#Cc1ccc(NCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1C(F)(F)F 462179795 YYTLYEMWMCFBHN-HXUWFJFHSA-N 433.430 5.095 30 20 IKED Cc1cccc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c1NC(=O)c1ccccc1F 464428717 NPVLQOMGHBNNDD-KRWDZBQOSA-N 441.384 5.290 30 20 IKED Cc1csc([C@@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C2CC2)n1 466098417 QBOZLPFSGKYDNI-QFIPXVFZSA-N 432.549 5.369 30 20 IKED COc1ccc(C(=O)Nc2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)s2)cc1 466400748 VRABXNJQLFJEOV-UHFFFAOYSA-N 437.546 5.073 30 20 IKED C[C@](C#N)(CCc1ccccc1)NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 467538887 ZBFQXWDLNLLHHM-JOCHJYFZSA-N 444.318 5.205 30 20 IKED CCOc1ccc(-n2c(SCc3cc(F)ccc3C#N)nnc2-c2cccnc2)cc1 469062457 WIYWSPUQPKMBOO-UHFFFAOYSA-N 431.496 5.031 30 20 IKED CC(C)(C)[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(F)c1 470538478 QFDPJGAWQHZIHL-QHCPKHFHSA-N 436.531 5.318 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)nnc1-c1ccco1 471249281 GWOBOUJRMZERIJ-NSHDSACASA-N 448.335 5.934 30 20 IKED CCc1ccc(-c2noc([C@@H](C)NC(=O)Nc3ccccc3SC[C@@H](C)C#N)n2)cc1 473818179 MXARROCMBBLTKF-JKSUJKDBSA-N 435.553 5.433 30 20 IKED N#Cc1ccc(C2(C(=O)Nc3ccc(NC(=O)c4cccc(Cl)c4)c(F)c3)CC2)cc1 474169864 MELWGSXPOBBIRN-UHFFFAOYSA-N 433.870 5.273 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4nc(C(C)C)cs4)cc3)o2)c1 474432886 LNKLXROENIIPOG-IBGZPJMESA-N 428.517 5.782 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2 475547508 NZJJWPRENVWMGB-UHFFFAOYSA-N 432.467 5.533 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(OCc2cccnc2)c(OCC)c1 476802415 VQPOYNFKVFQUJP-UHFFFAOYSA-N 430.548 6.164 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)C1c2ccccc2-c2ccccc21 477751296 PRRBHVBMSXXAOE-GOSISDBHSA-N 427.573 5.579 30 20 IKED N#C[C@H](C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)c1nccc2ccccc12 483218409 ZKXOYARMBLEWCC-IBGZPJMESA-N 439.475 5.173 30 20 IKED Cn1nc(C(F)F)c2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)sc21 483466930 YEGXRSXBABIHFO-GFCCVEGCSA-N 448.907 5.839 30 20 IKED C[C@H](NCCc1nc(C(F)(F)F)cs1)c1ccc(OC(F)F)cc1OC(F)F 483872392 OQKPLRKDFQNHNM-QMMMGPOBSA-N 432.361 5.258 30 20 IKED CCC(C)(C)N(CCC#N)C(=O)c1oc2ccccc2c1CSc1nnc(C)s1 484471726 IMSIPZRKVHCXMV-UHFFFAOYSA-N 428.583 5.430 30 20 IKED N#CCCC[C@H](NC(=O)c1cn(Cc2ccccc2)c2ccccc2c1=O)c1ccccc1 487451578 XFDBQYSOSICJNG-VWLOTQADSA-N 435.527 5.215 30 20 IKED C=CCn1c(SCCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1cccs1 489405926 BPYBUZOGPNDSAQ-UHFFFAOYSA-N 439.393 5.620 30 20 IKED C=CCn1c(S[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)nnc1-c1cccc(Cl)c1 489618292 DOCDSIMYIYVOQW-LJQANCHMSA-N 442.947 5.036 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H](CN2CCC(C)CC2)C1 491720715 FCEDEELOEXCSMF-HSZRJFAPSA-N 446.595 5.635 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CC[C@@H](C(F)(F)F)c4ccccc43)o2)cc1 492018687 FETPKJOHNNJCLJ-LJQANCHMSA-N 426.394 5.427 30 20 IKED N#C[C@@H](NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1cccc(Br)c1 496246428 SSBRGRJFZVKHCH-GOSISDBHSA-N 442.700 5.284 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCCC[C@H]1OC(F)F 503073097 LWUXIQADTDHBQF-NHCUHLMSSA-N 429.467 5.118 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1c(F)cccc1F)C(F)(F)F 506292465 MTYFZPKBLGHUNN-CWTRNNRKSA-N 443.441 5.191 30 20 IKED Cc1nc(COc2cccc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)c2)cs1 507918937 FDUKSBRCESRUTO-UHFFFAOYSA-N 441.512 5.947 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(Sc3ccccn3)cc2)cc1 508605147 RXIGWRNNYCQESB-UHFFFAOYSA-N 429.545 5.299 30 20 IKED Cc1nn(-c2ccccc2)c2sc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cc12 509581959 FMSBUHKOKGFAAI-INIZCTEOSA-N 426.423 5.299 30 20 IKED CCN(Cc1ccccc1Cl)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509915772 XVABFGYWASYRPO-UHFFFAOYSA-N 433.939 6.039 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1 512921714 CNNMPMKQDVOHCA-UYAOXDASSA-N 448.567 5.134 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1nc2ccccc2s1 513692184 KGSXMPBGTHKBIM-MRXNPFEDSA-N 449.875 6.140 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(-c4ccoc4)nn3-c3ccccc3)cc2)nc1 517657433 WOSVUKLFFGWMDR-UHFFFAOYSA-N 447.454 5.444 30 20 IKED CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1=O 518140285 JSWLMOPQTVYGNS-FHWLQOOXSA-N 435.593 5.443 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H](c3ccco3)N3CCCCC3)cc2)cc1 519053860 WWNXCUJLMKWDHE-HSZRJFAPSA-N 430.508 5.292 30 20 IKED C=CCN(CCc1ccccc1)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 520960695 SAIKAFNCOGHMEL-IBGZPJMESA-N 430.508 5.034 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N(Cc3ccccc3)Cc3ccc(F)cc3)cc2)nc1 521115874 KFVQJJHJMCXMBV-UHFFFAOYSA-N 437.474 5.727 30 20 IKED CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 521953769 SWTBMVMPNGKEHY-IBGZPJMESA-N 441.531 5.460 30 20 IKED C=CCc1cc(CNC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc(OC)c1OC 522692230 WQCFFEUCVXZYGV-GOSISDBHSA-N 432.973 5.122 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 523909246 MOZKWCWPWAIADB-KXBFYZLASA-N 432.014 6.056 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)c1 523997614 VDSTWBZEHNQGRF-QGZVFWFLSA-N 429.888 6.104 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2oc3ccccc3c2CSc2nnc(C)s2)n1 525860239 LZXYBSZWIDGLJW-CYBMUJFWSA-N 426.548 5.140 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1cccs1)Cc1cccs1 532746318 QZJHQRWFADWMLJ-KRWDZBQOSA-N 441.647 5.845 30 20 IKED N#C[C@H](NC(=O)c1ccccc1SCc1cccs1)c1ccc(OC(F)(F)F)cc1 534333798 IBBYTYBNPVHPGM-SFHVURJKSA-N 448.491 5.934 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3csc([C@H]4CCCO4)n3)cc2Cl)c1 534427399 HTSRPHHGSPMIBM-HXUWFJFHSA-N 439.924 5.351 30 20 IKED C=C[C@@H](CC(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C)c1ccccc1 536181794 WVUOALFPQQYZGX-KDYSTLNUSA-N 447.600 5.272 30 20 IKED C[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc(-c2ccccc2)no1 536331322 OBRCEJRBSJJRIC-KRWDZBQOSA-N 439.475 5.326 30 20 IKED Cc1cc(Sc2ccccc2)ccc1NC(=O)N1CCC(C#N)(c2ccccn2)CC1 548858650 WMZUYVAPLJAATM-UHFFFAOYSA-N 428.561 5.631 30 20 IKED C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 564376777 IEZQZOPFXDGSAV-GOSISDBHSA-N 447.564 5.100 30 20 IKED CC(C)(C)OC(=O)c1cc(C(=O)Nc2ccccc2SCCC#N)nn1-c1ccccc1 571151601 DPPYPUOTULOOBX-UHFFFAOYSA-N 448.548 5.086 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(-c2nc(CC(=O)Nc3ccccc3)no2)c1 572638518 JEDCCYWATNUVNY-UHFFFAOYSA-N 430.851 5.235 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3F)s2)nnc1-c1ccccc1C 574931222 GXDJBDQNMPFFEW-HNNXBMFYSA-N 437.569 5.950 30 20 IKED N#Cc1cccc(COc2cccc(CN(CCc3ccccn3)Cc3ccncc3)c2)c1 576074839 YDPZMEPQKJIPRG-UHFFFAOYSA-N 434.543 5.172 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1 581269322 IHQLRFAMBGJLET-GHTZIAJQSA-N 445.544 5.383 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(OC(F)(F)F)cc3Br)CC2)c1 582869475 ZKBXMKHZEBNQJK-UHFFFAOYSA-N 443.194 5.029 30 20 IKED CC(C)(C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 589044549 PXYYWKHJIMXDOQ-WDNDVIMCSA-N 449.357 6.009 30 20 IKED C[C@@H](NC(=O)Cc1noc(C[C@H](CC#N)c2ccccc2)n1)c1ccc(Cl)cc1Cl 589151329 ITSOHLIDPPFGOC-ZBFHGGJFSA-N 443.334 5.036 30 20 IKED O=C(N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2cccc(C(F)(F)F)c2)CC1 589320954 SPWURHRXDOCVSR-CHWSQXEVSA-N 433.314 5.326 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@H](c1ccc(F)cc1)C1CCC1 591032580 CFMPVSDSMZFBIK-CPUCHLNUSA-N 440.403 5.876 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)CC2)c1 591257422 IEPFPHQLEVKVST-UHFFFAOYSA-N 444.918 5.126 30 20 IKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N(CC)[C@@H](CC)c1ccccc1 603618686 DICMFIFIGGQPAV-IBGZPJMESA-N 445.357 5.098 30 20 IKED Cc1ccc(S[C@H](C)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 603834523 PFELKZWYUPKSCT-CQSZACIVSA-N 426.592 5.130 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2cnn(C[C@H]3CCCO3)c2)cc1Cl 604316379 BNYVBEDHOPOQJQ-TZIWHRDSSA-N 435.915 5.015 30 20 IKED CCCC(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 604361784 IVAUTCUTHLDXDR-UHFFFAOYSA-N 442.519 5.719 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1Sc1cnc2cc(F)c(F)cc2n1 605565724 ROKLXHPJGIDJRI-UHFFFAOYSA-N 445.882 5.069 30 20 IKED O=C(Nc1ccccc1CC(F)(F)F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 608328817 KWRJQTMMAUBTFR-GHMZBOCLSA-N 436.318 5.822 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 608964608 IKLYCHOWGURJFF-OAQYLSRUSA-N 436.483 5.201 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(OCC(F)(F)F)nc1 609061703 WGKYQOFZEKYWJT-UHFFFAOYSA-N 441.409 5.034 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 609377473 GALHYJMCKFVFBT-OAHLLOKOSA-N 442.009 5.820 30 20 IKED COCCOc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1Cl 609502105 NICZLIIEESQWHL-UHFFFAOYSA-N 436.895 5.476 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1 609773037 NBCBRQOEUGJSOI-UHFFFAOYSA-N 445.523 5.163 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1OC 610334666 BIGOJUWXCGSNRX-UHFFFAOYSA-N 435.455 5.171 30 20 IKED C=CCn1c(SCC(=O)N[C@H](c2cccs2)C(C)(C)C)nnc1-c1ccccc1 613809390 VYPAUFCFCCEKEU-LJQANCHMSA-N 426.611 5.188 30 20 IKED CC(C)(C#N)c1ccc(CN2CCC(C(=O)Nc3ccc(Br)cc3)CC2)cc1 614173443 TZWNUILGIHYOOB-UHFFFAOYSA-N 440.385 5.101 30 20 IKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(Oc2ccc(OCC)cc2)cc1 616847255 YOOOYAWDXGFINV-UHFFFAOYSA-N 436.533 5.092 30 20 IKED O=C(NCc1ccc(C2CC2)cc1F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 644112081 WWMHCESBPILBMU-ZIAGYGMSSA-N 426.376 5.412 30 20 IKED O=C(N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 684296232 DCQCGMKMQPKHGC-DSJMHWKBSA-N 426.376 5.234 30 20 IKED COc1ccc(NC(=S)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1Cl 726903022 MODCHYRSTSMYOG-UHFFFAOYSA-N 437.952 5.803 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccccc3Cl)n2)cc1Cl 727626608 DKVWJZJDDYGCRL-ZDUSSCGKSA-N 446.315 5.087 30 20 IKED N#CCOc1ccc(CNC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)cc1 727677669 NSWHNDPPADCOIF-MNDPQUGUSA-N 435.483 5.147 30 20 IKED Cc1cc(C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)c(C)n1-c1ccc(C#N)cc1 728272747 GCOQCFFGZBPIQF-UHFFFAOYSA-N 448.498 5.704 30 20 IKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCCC#N)c1 728778996 WLJNKBVUFHDNQI-JOCHJYFZSA-N 448.592 5.266 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)[C@H](C#N)c1ccc2ccccc2n1)c1ccccc1 729891283 XYGJQUNRZRAWRY-IRLDBZIGSA-N 429.520 5.457 30 20 IKED COc1ccccc1C/C(C)=C/C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 730172223 FOXIXHDFFUTSAL-CZIZESTLSA-N 426.516 5.468 30 20 IKED N#C[C@H](C(=O)Cn1ncc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 730688419 WMOUWELSGOBTIN-OAHLLOKOSA-N 427.316 5.343 30 20 IKED Cc1cc(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc(C)c1OC(F)F 730745739 XSYHYVKEMUOBME-ITGUQSILSA-N 433.339 5.544 30 20 IKED C#CCN(C(=O)N[C@H](c1cccs1)C1CC1)[C@H]1CCOc2ccc(Br)cc21 733640587 BHHIADLQMQWBFT-PXNSSMCTSA-N 445.382 5.130 30 20 IKED Fc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c(OCC(F)(F)F)c1 733753846 PMQSBKBEXNYDFU-UHFFFAOYSA-N 428.329 5.474 30 20 IKED Cc1ccc2[nH]cc(C=Nn3c(S)nnc3COc3c(Cl)cccc3Cl)c2c1 735612990 UHGSRBCOLZVXAY-UHFFFAOYSA-N 432.336 5.125 30 20 IKED CC1(C)Cc2cccc(C=Nn3c(S)nnc3COc3c(Cl)cccc3Cl)c2O1 737426881 GNCOSAHGPYPNDK-UHFFFAOYSA-N 449.363 5.048 30 20 IKED CSc1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 741113656 OEKIWYROMXVCMX-DOMZBBRYSA-N 430.501 5.454 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)c1 741934019 OQSOKWXBSNGAOC-GOSISDBHSA-N 441.959 5.326 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@H](C)c1ccccc1C(F)(F)F 744029326 QWSIISPHSZGXET-TZMCWYRMSA-N 438.833 5.127 30 20 IKED Cc1c(Br)cccc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 744030816 MBOGROMBLHFCQX-LBPRGKRZSA-N 426.097 5.026 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)Nc1ccc(OC(F)F)cc1 745724707 VJJPNJWDGQINSV-UHFFFAOYSA-N 441.478 6.011 30 20 IKED COc1ccc2ccccc2c1CN(C(=O)NCc1cc(C#N)ccc1F)C1CCCC1 745892789 GUUAJOPVMGYNOE-UHFFFAOYSA-N 431.511 5.514 30 20 IKED C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)cc1OC 746010892 NOFXYWVREHNADT-JLQMKUNGSA-N 445.563 5.568 30 20 IKED COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C\C(=O)c2ccc(OCC#N)cc2)cc1 747094188 DXOMRPMEVBTONP-WJDWOHSUSA-N 449.510 5.405 30 20 IKED CCCC[C@H](ON=C(C)C)C(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 757986147 QZVOSTFRXUWEDZ-MJGOQNOKSA-N 432.952 5.067 30 20 IKED C#CCNC(=S)/C(=C(/O)c1ccc(-c2ccccc2)cc1)[n+]1ccc(C(CC)CC)cc1 759051692 QBWUGBPFASJDSZ-UHFFFAOYSA-O 441.620 5.979 30 20 IKED CCOC(=O)/C=C\c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 759305146 BHVOGLPLZJBABL-SSZFMOIBSA-N 442.540 5.679 30 20 IKED N#Cc1ccc(/C(O)=C(/C(=S)Nc2cccc(Cl)c2)[n+]2ccc3c(c2)CCCC3)cc1 762445474 OPNPPQAUFWWRJW-UHFFFAOYSA-O 446.983 5.701 30 20 IKED C[C@H](CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 763510831 LQBLDMZUSXTYIO-INMHGKMJSA-N 445.560 5.285 30 20 IKED CC(C)(C)OC(=O)N[C@H](CCC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 767979647 DLWXYLKOXWIXGU-XMMPIXPASA-N 445.563 5.220 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCc3c(-c4ccccc4)cccc32)ccc1OC 768351317 OJTBMLNLTDTXGE-NRFANRHFSA-N 441.531 5.315 30 20 IKED C=CCn1c(SC[C@H]2CN=C(c3ccc(OC)cc3)S2)nnc1-c1ccccc1C 768412062 RZEBVAHPTSOBGG-LJQANCHMSA-N 436.606 5.102 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(N2C(=O)N[C@@H](c3cc(F)ccc3F)C2=O)cc1Cl 771820794 WAMXYRGQVWCKQC-NQIIRXRSSA-N 437.833 5.071 30 20 IKED CCOc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc([C@H](C#N)c3ccccc3)cc1)CCO2 775489657 WTUCMTCSGHDMSN-RPWUZVMVSA-N 427.504 5.386 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)s2)cc1 777116018 CUOQRHUMYJTGJT-MRXNPFEDSA-N 448.592 5.133 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1 777985929 WCUQVBBVVFZOTN-HNNXBMFYSA-N 445.510 5.442 30 20 IKED C[C@H](OC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(C#N)c1 782464056 URFLIBPWRNWPHQ-AWEZNQCLSA-N 449.850 5.290 30 20 IKED C[C@H](OC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1nnc(-c2ccc(F)cc2)o1 782884411 NUDCRSIWUOKEMU-INIZCTEOSA-N 443.434 5.244 30 20 IKED CC(=O)c1ccc(OCCCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 783358255 NUIUQHNJQYMYSB-QGZVFWFLSA-N 446.450 5.553 30 20 IKED Cc1cccnc1C(F)(F)C(=O)N(C)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 784730748 WWQJSDGPSRKCAD-AWEZNQCLSA-N 426.307 5.263 30 20 IKED Cc1cc(NC(=O)/C=C\c2ccccc2C#N)cc(C)c1NC(=O)/C=C\c1ccccc1C#N 785527593 XRRRKDBIWXGLJV-XSYHWHKQSA-N 446.510 5.351 30 20 IKED CN1C/C(=C/c2cnc(-c3ccco3)s2)C(=O)/C(=C/c2cnc(-c3ccco3)s2)C1 789127135 KSWFHZZSJRFSGT-DJJIWSAGSA-N 435.530 5.101 30 20 IKED N#C[C@@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1cnc2ccccc2n1 792111106 WERRXBUFTLIZME-CYBMUJFWSA-N 426.423 5.067 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c1=S 795687062 JFUPXUKNWVFHQI-YTFSRNRJSA-N 431.609 5.278 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 796633133 MXFUZKICMBBYQH-ZCNNSNEGSA-N 444.453 5.161 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)cc1 800518925 HGCZRHNPGAVIFA-CLJLJLNGSA-N 448.526 5.067 30 20 IKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2cccs2)C1=O)Nc1ccccc1 837301273 IJVDUEKSYQURBF-LJQANCHMSA-N 439.537 5.048 30 20 IKED O=c1c2c3c(sc2ncn1N=Cc1ccc(-c2ccccc2Cl)s1)CCCC3 873874746 ZCICKLJBTMHFET-UHFFFAOYSA-N 425.966 5.601 30 20 IKED Cc1cc(-c2nc(-c3cccc(NC(=O)OC(C)(C)C)c3)no2)nn1-c1cccc(C#N)c1 904633227 JJFJGOZJIIOSBD-UHFFFAOYSA-N 442.479 5.116 30 20 IKED CCOc1ccc(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OCC 915351437 BUUSJTHMCWGAGJ-XMMPIXPASA-N 443.547 5.504 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc4c(c3)CCC(=O)N4)n2)cc1 916974196 GJWFEKTZMBIGTF-FQEVSTJZSA-N 445.544 5.039 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCSc1ccc(Br)cc1 920103857 FBMHERJBKQYOTJ-KRWDZBQOSA-N 441.350 5.313 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1ccc2nc(O)oc2c1 1673741484 MVWZEMWCQPDLAY-OAHLLOKOSA-N 428.448 5.389 30 20 IKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)o4)CCC3)cc2)cc1 1785795843 GQIRJMRYNOMBTF-UHFFFAOYSA-N 447.922 5.185 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CNc3ccccc3C)CCC2)cc1 1789451577 MGSOHZSCEHELQX-HSZRJFAPSA-N 431.580 5.309 30 20 IKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3c(F)cc(Cl)cc3Cl)CCC2)cc1 1791578255 YJFYHOWFUSMZGH-NSHDSACASA-N 441.355 5.199 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ccncc23)n[nH]1 1821416699 OJIODGVZPCXVMB-CVDCTZTESA-N 443.551 5.032 30 20 IKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccccc3)CCCC2)[nH]n1 1822580148 NYNXRQQGZSUSGS-HSZRJFAPSA-N 446.595 5.107 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccccc3o2)CC1 1828191089 AXIVJQTYZOYFPO-JOCHJYFZSA-N 436.596 5.659 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(C)cc2F)CC1 1828829550 JBWLVTYAQFYYQZ-HYBUGGRVSA-N 444.566 5.275 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)c2cccs2)CC1 1832143489 JCNWGNLLSISMJX-PZJWPPBQSA-N 430.658 5.464 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)nc2cc(Cl)ccc2c1=O 16827250 WQUNLQXXBGXVJJ-HNNXBMFYSA-N 441.984 5.479 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2C)nnc1-c1ccc(OC)cc1 16864986 OCNNFPYTBINWIA-HNNXBMFYSA-N 442.972 5.221 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(Cl)cc3)n2)nnc1-c1ccc(OC)cc1 27426338 OZBWKOXCZOEBDU-UHFFFAOYSA-N 438.940 5.740 30 20 IKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2cccc(C)c2)c1C 28793577 QABWZZUUHCISPZ-UHFFFAOYSA-O 440.976 5.134 30 20 IKED C=CCN(C(=O)CCCc1nc(-c2ccc(F)cc2)no1)c1nc(-c2ccccc2)cs1 31687738 DMPQTLPZEBBVBU-UHFFFAOYSA-N 448.523 5.541 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[C@H](C)CC)nc2sccc2c1=O 36801851 LRNQLRNYUUOLBL-HUUCEWRRSA-N 427.595 5.277 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cccc(OCc3cccs3)c2)cc1 58499393 XBNIVPMXQRCLKS-UHFFFAOYSA-N 430.451 5.403 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)c1ccc(CC)cc1 60384016 NJVGKYPCZKIUAC-MRXNPFEDSA-N 425.529 5.108 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)nnc1-c1cccc(C)c1 97493729 JZWYORIWFGZTJL-MRXNPFEDSA-N 442.535 5.029 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 116681871 GTCQAFLCGHCVAJ-OAQYLSRUSA-N 432.490 5.119 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(OC)cc2)C(C)C)nnc1-c1ccccc1F 217067901 UAQSLHHNIPMAAK-HXUWFJFHSA-N 440.544 5.034 30 20 IKED C=CCn1c(SCc2cccc(C(=O)Nc3ccccc3)c2)nnc1-c1cccnc1 302943771 IJLOKOLHHABZBR-UHFFFAOYSA-N 427.533 5.071 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1nc(-c2ccco2)sc1C 303144249 FBLJGMLWKDLPEY-UHFFFAOYSA-N 429.501 5.723 30 20 IKED C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1occc1COc1cccc(C#N)c1 303540183 UFSHJBKMQNCYRV-OAHLLOKOSA-N 428.410 5.110 30 20 IKED CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 432079995 USXADZYFQQJFLQ-JOCHJYFZSA-N 447.514 5.252 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ccc(OC(F)F)cc1OC(F)F)c1ccccc1 432652465 HMJACUOTPRFCFD-OAHLLOKOSA-N 425.382 5.446 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1)c1ccc(C#N)cc1 433675215 OSYROQNYOIXKEQ-LBPRGKRZSA-N 428.279 5.330 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3nccn3CCc3ccccc3)cc2)cc1 435122107 QYFQSIIENLNVDE-UHFFFAOYSA-N 437.503 5.111 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 436349907 DXTMOVMHIXTNPU-ZVZYQTTQSA-N 433.499 6.025 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](C)Oc1cccc(Br)c1 438042785 RVOOOEVLZRMRCW-LSDHHAIUSA-N 448.386 5.290 30 20 IKED N#Cc1ccc(CSc2nnc(COc3ccccc3)n2Cc2ccco2)c(Cl)c1 438890451 ODYWAXXRZFCTOL-UHFFFAOYSA-N 436.924 5.316 30 20 IKED CCCc1c(NC(=O)Nc2ccc3nn(C(C)C)cc3c2)cnn1-c1cccc(C#N)c1 439333009 SCBDYPOCOSDUTN-UHFFFAOYSA-N 427.512 5.271 30 20 IKED C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 439443507 SVUGFVPUSLGXQR-XEHJXZTKSA-N 437.515 5.283 30 20 IKED COc1ccccc1Oc1ccc(N[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 439545963 FQVXABROCNSJOH-GOSISDBHSA-N 433.483 5.374 30 20 IKED CCOCc1ccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 441633425 JTLABSGBRPEXFT-JOCHJYFZSA-N 447.922 5.109 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCc1cccc(Br)c1OC(F)F 443459097 CENHQZOTDOKKHX-LBPRGKRZSA-N 427.314 6.057 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC=C(C(F)(F)F)CC1 460797548 JNPMQOVCCLYUFF-INIZCTEOSA-N 436.478 5.092 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O 460957979 NQMAPKYHBVWARK-JOCHJYFZSA-N 445.906 5.304 30 20 IKED CCc1ccc([C@H](Nc2nc(C)c(C#N)cc2Cl)c2cccc(S(C)(=O)=O)c2)cc1 461945315 KPYGSPCNJUMGRH-QFIPXVFZSA-N 439.968 5.083 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 463394035 OMFRXVQIJVZTOL-UHFFFAOYSA-N 442.906 5.537 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Cn1c(-c2scnc2C)nc2ccccc21 463464556 MNJBQUCWFPBBCV-UHFFFAOYSA-N 442.997 5.398 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 465418894 VNCBUQAODSYQME-KSFYIVLOSA-N 439.556 5.206 30 20 IKED COc1ccc([C@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2ccc(F)cc2)cc1 468890799 HDKXASKSBMNXDR-HHHXNRCGSA-N 443.522 5.619 30 20 IKED C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(OCC2CC2)c(F)c1 469691669 RQEJHYRZJGNVGO-CVEARBPZSA-N 427.545 5.891 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N(Cc3ccc(Cl)cc3)C3CC3)ccc21 470559702 FQWDQISCXBRYGA-UHFFFAOYSA-N 436.943 5.119 30 20 IKED CCSCc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)no1 471781690 QOVQTKQFDGUNOW-UHFFFAOYSA-N 427.913 5.284 30 20 IKED N#CC[C@@H](CC(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccccc1 475524076 UIIYFBCLJISNNC-VWLOTQADSA-N 434.543 5.302 30 20 IKED CN(C(=O)c1ccnc(C#N)c1)[C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 476303981 VNZVODYRYMPYAO-HXUWFJFHSA-N 440.728 5.231 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 480071622 OHWITFIEVVBFSL-FOVJLYNBSA-N 442.584 6.402 30 20 IKED CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1 482636554 PHCONEMMMPKMNV-UHFFFAOYSA-N 446.576 5.120 30 20 IKED C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C 483221044 MPTYKCBYTHCCRX-UHFFFAOYSA-N 448.567 5.172 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cnn(-c2ccccc2C)c1CCC 483591878 LWUBODNKMYWXFG-UHFFFAOYSA-N 434.588 5.521 30 20 IKED CC(C)c1c(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cnn1-c1ccc(Cl)cc1 485179318 RNERIOXECZFBCK-GMAHTHKFSA-N 447.970 5.953 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)Nc1nnc(C(F)F)s1 485963633 AUBBWPLVELELNH-UHFFFAOYSA-N 449.508 5.066 30 20 IKED CCOc1ccc(CC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 487383803 DMAJNIYQBFNAJO-UHFFFAOYSA-N 445.466 5.204 30 20 IKED N#CCCC[C@H](NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1ccccc1 487543498 XFKRVGQJDJRIRG-DEOSSOPVSA-N 440.572 5.792 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCc2nc(-c3cc(F)c(F)c(F)c3)no2)n1 488484696 KRMXGEVMAQSSLH-UHFFFAOYSA-N 430.333 5.040 30 20 IKED C=CCn1c(SCc2nc(O)c3c4c(sc3n2)CCCC4)nnc1-c1ccccc1C 488895218 VYWDKWHSGSVXIE-UHFFFAOYSA-N 449.605 5.321 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 489301314 VZNITWBAEAKKRD-UHFFFAOYSA-N 433.393 5.077 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(CSc3nc[nH]n3)cc2)cc1 490122636 MITJUBPMMFUEBA-UHFFFAOYSA-N 427.489 5.013 30 20 IKED CC(C)CCn1ncc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1C(C)C 490533605 GHQJVEYKVJZDKO-UHFFFAOYSA-N 446.620 6.469 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccc(F)cc1)C1CCOCC1 494753066 WTJQQUPKUYFUKN-KRWDZBQOSA-N 427.545 5.433 30 20 IKED CCn1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)c1-c1ccccc1 495196012 WVHJOKNGKBHBIF-LJQANCHMSA-N 428.517 5.192 30 20 IKED COc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(F)(F)F)c1 500805525 ZFPAQJFLJIYGCC-UHFFFAOYSA-N 431.254 6.004 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc([C@@H]2CCCOC2)cc1 503152185 MYEAHUYDGCQCQX-QGZVFWFLSA-N 434.483 5.857 30 20 IKED C=CCN(CCc1ccco1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 505365962 JATRLTFQQSUQQA-NRFANRHFSA-N 436.474 5.206 30 20 IKED CC(C)(NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccs1 506310228 WBKNKIHYLYCOLR-GOSISDBHSA-N 437.952 5.047 30 20 IKED CC1(C#N)CCN(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)CC1 506328988 DDSPGCASIOGWOE-UHFFFAOYSA-N 448.420 5.254 30 20 IKED CCC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nnc2ccccn12 506639357 YRFBUJPGNMJVSG-NRFANRHFSA-N 426.480 5.056 30 20 IKED CC(C)Cn1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1C1CC1 507249116 ZYBSTDNQBNRYLV-UHFFFAOYSA-N 448.954 5.773 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(OC2CCCC2)CC1 508478389 RFHNVCOKQMVUCE-HXUWFJFHSA-N 446.595 5.685 30 20 IKED C=CCn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](C(F)(F)F)C(C)(C)C1 508787894 AOFZEMHXJHHWOE-QGZVFWFLSA-N 440.535 5.180 30 20 IKED C=CCn1c(Sc2nc([C@H](C)OC)ns2)nc2scc(-c3ccccc3)c2c1=O 509692745 KTWAIOSCHNQDNG-LBPRGKRZSA-N 442.591 5.021 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(OC)c1 510871684 IYFXDISAXYYRQI-UHFFFAOYSA-N 431.492 5.340 30 20 IKED N#Cc1cc(C(=O)Nc2cc(-c3ccsc3)nn2-c2ccccc2)cnc1C(F)(F)F 512978103 XPPTVCJMJABGMG-UHFFFAOYSA-N 439.422 5.139 30 20 IKED COCc1c(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)sc2cccc(F)c12 515259174 NRUVJYGOLNMGJH-UHFFFAOYSA-N 433.464 5.498 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCc1nc2ccccc2[nH]1 517110891 KLKXASJHYBKYDR-UHFFFAOYSA-N 425.492 5.290 30 20 IKED Cc1nc(CSc2ccc(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)cc2)cs1 517343396 BFEMXLDOORNJDA-GOSISDBHSA-N 448.400 6.045 30 20 IKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)NC[C@H](C)c1ccccc1 517461059 MYZRRNBCJVXVCB-JKSUJKDBSA-N 435.515 5.431 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 517517790 JIRSPOGDKCDCFV-INIZCTEOSA-N 445.573 5.642 30 20 IKED CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cccc(Cl)c1 518750341 JNBPLGKRDAAQMR-QFIPXVFZSA-N 433.895 5.210 30 20 IKED CC(=O)N[C@@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(Cl)cc1 519991645 YIQWQQOWHIEROT-QHCPKHFHSA-N 433.895 5.210 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)N(Cc1ccco1)c1ccccc1C#N)O[C@H](C)C2 520765262 YSVDMSLUNGVVIN-FRGLQRNOSA-N 442.515 5.210 30 20 IKED N#CCCN(C(=O)CCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1)c1ccccc1 520980792 XCXNOAYLGMPIGG-UHFFFAOYSA-N 435.543 5.214 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ncc(Cc4ccc(F)c(F)c4)s3)cc2)nc1 521086485 XKCOMWFUSRKZHL-UHFFFAOYSA-N 448.454 5.323 30 20 IKED CCCCN(Cc1ccccc1Cl)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 521813087 UMHKKQVIBBLKBW-QGZVFWFLSA-N 444.000 5.502 30 20 IKED CC(C)CNC(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1Cl 521952526 WTORRSCOGHNWHD-UHFFFAOYSA-N 448.910 5.037 30 20 IKED C=CCOc1ccccc1CN(C(=O)C[C@H](C)c1cccnc1)c1ccc2c(c1)OCCO2 523757440 JPHWPOWNIBTMQX-FQEVSTJZSA-N 444.531 5.145 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccccc1O[C@H](C)c1ccccc1 523804153 GSRGRMCDZYVALR-HXUWFJFHSA-N 441.531 5.076 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)N[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 525761312 VSMDMDRQKBCPLI-FUHWJXTLSA-N 436.556 5.244 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(O)ccc3C(F)(F)F)cc2Cl)c1 527249945 MJQAZZBRIROBDU-UHFFFAOYSA-N 446.812 5.767 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)NCc1ccc(C#N)cc1F 533446827 HSUPNEATHGMKDS-LBPRGKRZSA-N 430.346 5.743 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)[C@@H](OC3CCOCC3)c3ccccc3)c2)c1 534633183 HTTXWIXSJLAPCE-SANMLTNESA-N 442.515 5.013 30 20 IKED Cc1cccc(-c2nc(CC(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)cs2)c1 542019852 PLEKMASCODYZFL-UHFFFAOYSA-N 433.924 5.011 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CC(=O)N1CCCCCC1)C(C)C 554166171 SMZFRSVCUOEHTG-UHFFFAOYSA-N 448.567 5.304 30 20 IKED C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)Cc1csc([C@H](C)OCC)n1 555255960 BNSTVVSOQVQFRD-INIZCTEOSA-N 436.585 5.193 30 20 IKED N#Cc1cnn2cc(CN[C@H](Cc3ccc(Cl)cc3Cl)c3ccc(F)cc3)cnc12 573032960 JIOHDQSTSKXADY-OAQYLSRUSA-N 440.309 5.120 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cnn1-c1ccccc1Cl 576994792 CBYHPGKIHIAFJD-UHFFFAOYSA-N 429.867 5.145 30 20 IKED C[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(Br)cc1Br 577420659 ZRDKCQXBHMYNGF-IFXJQAMLSA-N 436.191 6.297 30 20 IKED C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](CC(F)(F)F)C1 579378927 FEJLBSFPZFBCPB-LBPRGKRZSA-N 447.274 5.202 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H](c1ccc(F)cc1)C1CCC1 591032581 CFMPVSDSMZFBIK-YQFWSFKMSA-N 440.403 5.876 30 20 IKED C=CCn1c(SCC(=O)N2CCc3sccc3[C@H]2C)nnc1-c1ccc(Cl)cc1 600814263 ZPWRMQNTMWCLCP-CQSZACIVSA-N 445.013 5.084 30 20 IKED O=C(NCc1cccc(COC2CCOCC2)c1)Nc1cccc(C#Cc2cccs2)c1 601102768 IEMVOEVNSLQBDD-UHFFFAOYSA-N 446.572 5.165 30 20 IKED COc1cc(OC)c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OC 602289669 FQQDNSAHIKFXGC-ZDUSSCGKSA-N 428.554 5.049 30 20 IKED C[C@H]1Sc2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2NC1=O 604003422 DNZKTGKGBJPFRB-MRXNPFEDSA-N 443.528 5.017 30 20 IKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604522884 PNBOJPIRMFTYOK-PXDATVDWSA-N 442.519 5.377 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 608995363 LVZWDZSBBCARQY-XMMPIXPASA-N 449.457 5.543 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccccc3[N+](=O)[O-])cc2Cl)c1 609079542 CDSPOWZRJBVAHH-UHFFFAOYSA-N 436.855 5.021 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 609377460 GALHYJMCKFVFBT-HNNXBMFYSA-N 442.009 5.820 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccnc(OCc2ccccc2)c1 609436794 UGDUIHQTPOAPDS-SFHVURJKSA-N 432.549 5.377 30 20 IKED Cc1cc(NC(=O)c2cccc(COc3ccccc3C#N)c2)ccc1OC1CCOCC1 609980640 UHFLOKBSEZRUGG-UHFFFAOYSA-N 442.515 5.256 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)c3cc4ccccc4n3CC#N)s2)cc1 610050874 NXMGHPUZHUUAJF-SFHVURJKSA-N 428.561 5.738 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1)c1cccc(C#N)c1 610635235 RTIIMQDURLETRI-ROUUACIJSA-N 429.545 5.227 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2cccc(CN3CCCC3=O)c2)cc1Cl 611182766 NPEJRTPAHUHEDI-UHFFFAOYSA-N 445.906 5.379 30 20 IKED CCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 613347209 XAYQJTQOIBSPMN-OAHLLOKOSA-N 447.343 6.014 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)NCc2ccc(C#N)c(Cl)c2)cc1 619769744 QCMDSWGDAAQORM-QGZVFWFLSA-N 433.939 5.790 30 20 IKED N#C[C@@H](C(=O)c1ccnc(Oc2ccccc2)c1)c1nc(-c2c(F)cccc2F)cs1 623759126 SSTWZCRKQBWVOX-INIZCTEOSA-N 433.439 5.766 30 20 IKED COc1cc(F)ccc1NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 674305045 IRYMDEDALJLRNB-UHFFFAOYSA-N 447.310 5.310 30 20 IKED C[C@@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)c1cccc(NC(=O)c2ccccc2)c1 726461353 ZGWYCGIUFFDQFS-OAHLLOKOSA-N 434.952 5.512 30 20 IKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(Cl)cc2)c1 726571610 ZEADZDFKNRSFGA-UHFFFAOYSA-O 441.363 5.784 30 20 IKED N#C[C@@H](C(=O)CN1CCC[C@H]1c1ccccc1C(F)(F)F)c1nc2ccccc2s1 728058280 CDHGCTVRTZSVEE-YJBOKZPZSA-N 429.467 5.328 30 20 IKED Cc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)c(C)n1-c1ccc(C#N)cc1 728274838 XZHQPSGLCNCILH-UHFFFAOYSA-N 446.938 5.108 30 20 IKED Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728298592 WXGAKNIGQXTGNC-RTBURBONSA-N 431.511 5.263 30 20 IKED C#Cc1ccc(C(=O)OCC(=O)c2cc(C)n(C(c3ccccc3)c3ccccc3)c2C)nc1 729008926 KTEBZCLUWWORQC-UHFFFAOYSA-N 448.522 5.159 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@@H]1CCc2c(OCc3ccccc3)cccc21 730427345 MXUCORBIEQNFLY-RUZDIDTESA-N 442.515 5.018 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cc2ccccc2s1 730685126 AFWVUZWHHKLDQN-VGOFRKELSA-N 439.540 5.373 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 731114695 VGKZAUFVZCLPTD-BEFAXECRSA-N 433.499 6.326 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F 731399448 CITDTEUZGPSFSR-HNAYVOBHSA-N 433.499 6.469 30 20 IKED CCc1cccc(C)c1NC(=O)CON=C(Cc1nc2ccccc2n1C)c1ccccc1 731664865 YRCVVWABBMLLJQ-UHFFFAOYSA-N 440.547 5.046 30 20 IKED C#CCN(C(=O)Nc1cc(Cl)ccc1F)[C@@H]1CCOc2ccc(Br)cc21 733616654 NWLAHSZFPUWASB-QGZVFWFLSA-N 437.696 5.233 30 20 IKED C[C@H](SCc1cc(Cl)ccc1OCC#N)C(=O)Nc1ccccc1OC(F)F 735320534 WUFSBXQDFQAZAV-LBPRGKRZSA-N 426.872 5.104 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)CCc3c(-c4ccccc4)[nH]c4ccc(F)cc34)[nH]c12 735792378 KYDBIMTVOQJFKY-OAQYLSRUSA-N 436.490 5.968 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(CC2CCC2)[C@@H](C)c2ccccc2)ccc1OC 741088040 KGEGVAJJSLJGAW-WMZHIEFXSA-N 435.568 5.449 30 20 IKED C=CCOc1c(Br)cc([C@@H]2NC(=O)c3sc4ccccc4c3N2)cc1OC 742442310 UIPMTCXIROYIMP-IBGZPJMESA-N 445.338 5.091 30 20 IKED C=CCOc1ccccc1CNC(=O)c1cc(Cl)c(NC(=O)OC(C)(C)C)cc1OC 742662952 DPNMMELNJZKXGJ-UHFFFAOYSA-N 446.931 5.190 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)CSCc2ccc(C#N)cc2)cc1 742888325 VJKOGOVYQZSHLE-MRXNPFEDSA-N 425.554 5.016 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c(C)c1 743131039 FDXWEEMWPYYFRA-QGZVFWFLSA-N 438.597 5.362 30 20 IKED C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 743953037 NNLBJAFSHKVSBD-AYCKEJKLSA-N 441.506 5.029 30 20 IKED C=CCn1c(-c2ccc(F)cc2)nn(CN(Cc2ccccc2)C[C@@H]2CCCO2)c1=S 747786174 BCDKNKBHOYCRLD-QFIPXVFZSA-N 438.572 5.045 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccc(F)cc4)n3C)n2)cc1 750400302 PFGWIGWJUZGYHC-LJQANCHMSA-N 431.492 5.453 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C 753899693 QXYUSMHJMVAVJV-UHFFFAOYSA-N 437.540 5.213 30 20 IKED COc1cc(/C=C\C(=O)c2ccc3c(c2)CCC(=O)N3C)ccc1OCc1ccccc1 754689891 WDFIMVKASUUPMW-JYRVWZFOSA-N 427.500 5.079 30 20 IKED CC(C)[C@H](c1ccc(Br)cc1)c1noc(Cc2cccc(OCC#N)c2)n1 762364966 QMOYSURGCSFCFP-HXUWFJFHSA-N 426.314 5.113 30 20 IKED CC(C)c1ccc(CC2CCN(CC3=CC(=O)n4c(nc5ccccc54)[C@H]3C#N)CC2)cc1 765057500 VMTZZONNYJBNSK-DEOSSOPVSA-N 438.575 5.302 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CCCc3cccc(OC(F)F)c32)c1=S 766339608 OPRXRFOCHBFPGP-UHFFFAOYSA-N 443.523 5.064 30 20 IKED N#C[C@H](C(=O)CN(Cc1ccccc1)Cc1ccccc1)c1nc2ccccc2n1C(F)F 766615996 IOYJOWZHLZCJAX-OAQYLSRUSA-N 444.485 5.310 30 20 IKED N#C[C@@H](NC(=O)c1cc(F)c(Cl)nc1Cl)c1ccc(OCc2ccccc2)cc1 768137561 MOXDVGLPKAIVMZ-GOSISDBHSA-N 430.266 5.101 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(NC(=O)OC(C)(C)C)c(C)c2)cc1 772553969 LXHAUWLYGOEGLI-HRAATJIYSA-N 449.551 5.817 30 20 IKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(Sc2ccc(Cl)cc2)cc1 773769800 LEWDAWAROMREEQ-IBGZPJMESA-N 436.920 5.461 30 20 IKED N#C[C@@H](COC(=O)c1csc(-c2ccccc2)n1)Cc1cccc(Br)c1 774397154 RDGATJZNBCVICU-HNNXBMFYSA-N 427.323 5.112 30 20 IKED CN(C)[C@@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1c(F)cccc1Cl 778619029 DWDXLCZXAIMGIG-NSPYISDASA-N 449.885 5.360 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H](C)c2cc(Br)cc(C)c2O)ccc1OC 779032002 MGHCQSMAHQAGNT-RHSMWYFYSA-N 433.346 5.004 30 20 IKED Cc1nc([C@H](C)OC(=O)c2ccn(-c3cccc(C#N)c3)n2)oc1-c1ccc(Cl)cc1 798800779 MWQPIDCVZCFMAX-HNNXBMFYSA-N 432.867 5.279 30 20 IKED N#CC1(CCCOC(=O)c2c(NC(=O)C3CCCCC3)sc3c2CCC3)CCOCC1 800080479 CMIWPIALEFSCLW-UHFFFAOYSA-N 444.597 5.013 30 20 IKED Cc1cc(C(=O)COC(=O)c2cnccc2C#N)c(C)n1C(c1ccccc1)c1ccccc1 805718359 QXQCQZAANADHEM-UHFFFAOYSA-N 449.510 5.049 30 20 IKED COc1ccc(/C=C2\Cc3nc(Cl)ccc3C2=O)cc1OCc1ccc([N+](=O)[O-])cc1 806579858 UTQFEYQGNBALIN-MHWRWJLKSA-N 436.851 5.053 30 20 IKED N#CCCn1cc(/C=C/C(=O)c2csc(-c3ccccc3F)n2)c(-c2ccncc2)n1 812245488 UYFOJRWWZCAXBK-VOTSOKGWSA-N 429.480 5.017 30 20 IKED CC(=NNc1ccc(S(=O)(=O)C(F)F)cc1)c1sc(-c2ccccc2F)nc1C 814828354 YTLGGZQPKLZGLB-UHFFFAOYSA-N 439.484 5.090 30 20 IKED COC(OC)[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccccc1 819615002 TVJXVDUKEJMAHT-QFIPXVFZSA-N 436.895 5.094 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccccc3SC(F)(F)F)c2)cc1 916449400 GDTXLEZSWNQSTD-UHFFFAOYSA-N 442.462 6.196 30 20 IKED CCOc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc(Cl)c1OC 916546107 FHNKAVLYIJSJDX-UHFFFAOYSA-N 437.352 5.167 30 20 IKED N#C[C@H](C(=O)CCCSc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(Cl)c1 916938822 MDJVUMXILUAAEB-OAHLLOKOSA-N 425.312 5.352 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CSCc2coc(-c3ccccc3)n2)cc1 916951691 ZZASUEITCLQLCV-VGOFRKELSA-N 447.560 5.436 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3ccc(F)cc3)nc2C)cc1 916955801 VCMBPXVUFLPTDD-VLIAUNLRSA-N 435.524 5.732 30 20 IKED N#C[C@H](C(=O)NC1CCCC1)C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1 917041231 GLVLBYULMBSVKU-SFHVURJKSA-N 447.387 5.667 30 20 IKED CCOc1ccc(OC(C)(C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917042608 DSAOWMJCJGEEEX-INIZCTEOSA-N 448.466 5.748 30 20 IKED C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917046477 DHBAGXGEHNLDCF-MWLCHTKSSA-N 425.724 5.900 30 20 IKED COc1cc(/C=C2/SC(=S)N(c3ccc4ccccc4c3)C2=O)ccc1OCC#N 917644008 QJQXOBVVSULPGQ-FYJGNVAPSA-N 432.526 5.157 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)Cc1csc(-c2ccccc2Cl)n1 920101784 IPSSOAOLOLRJFA-KRWDZBQOSA-N 433.920 5.388 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1nc(Cl)c(Cl)c(Cl)c1Cl 933478835 YGJSJNOCHZIAMK-UHFFFAOYSA-N 442.051 5.496 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccnc4ncccc34)CCC2)cc1 1785842535 FUZGETTWJMWRGK-UHFFFAOYSA-N 442.563 5.370 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)cc3F)cc2)CCC1 1785941989 LCLRKMGSQREYDB-UHFFFAOYSA-N 444.934 5.210 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc4sccc4[nH]3)CCC2)cc1 1789454248 UCYSSLGDNYAYAR-IBGZPJMESA-N 433.577 5.746 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)CCCCn3cccc3)cc2)CCC1 1789604736 KEBUNMZPYZVIEC-UHFFFAOYSA-N 429.511 5.004 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@H]3OCCc4ccccc43)CCC2)cc1 1791244444 SXOCXUMRXXORMB-YADARESESA-N 432.564 5.037 30 20 IKED CCC[C@H]1CC[C@H](C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)c[nH]4)CCC3)cc2)CC1 1791367770 YRUOSVQNPVROFR-KESTWPANSA-N 432.568 5.241 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)[C@@H]1c1cccnc1 1810182588 OZOQNKPEWSKSHM-RHXAMEDASA-N 437.628 5.072 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@H](CCC)n3cccc3)C2)CC1 1810937380 BFIIFSZXKKVABI-QFIPXVFZSA-N 427.633 5.053 30 20 IKED CC[C@H](C)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1824345384 RWWUMXLVWBCIDZ-JTHBVZDNSA-N 432.725 5.093 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(F)cc2F)CC1 1828827811 VOPLGCYUEHMOIC-WZONZLPQSA-N 448.529 5.106 30 20 IKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 1829976561 ZWGQUXNKBYKANZ-NRFANRHFSA-N 435.395 5.030 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(F)cc2)CC1 1831686725 VISGZWOVLKYXBO-RUZDIDTESA-N 440.603 5.146 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccc(CC)cc2)cc1 10762807 ZTRQWHLPWOCNFX-UHFFFAOYSA-O 441.979 5.942 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2cccc(O)c2)c1 10836785 CITZTRGWMBIIRI-UHFFFAOYSA-O 446.379 5.654 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2cccc(C)c2)c1 11159329 VIPYELWBXLVMEG-UHFFFAOYSA-O 444.407 6.257 30 20 IKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc(N(C)C)cc2)cc1 11171024 YSFQIAITAIVTOL-UHFFFAOYSA-O 436.576 5.354 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2)c2ccccc2)nc2sccc2c1=O 12723888 HXRVXGJYVJIJLI-LJQANCHMSA-N 433.558 5.116 30 20 IKED N#Cc1ccc(-c2ccc(OC(=O)CCc3nc(-c4ccc(Cl)cc4)no3)cc2)cc1 15580391 MOBBKDXPYYMVEL-UHFFFAOYSA-N 429.863 5.467 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc2c(c1)OCCO2)C(=O)c1ccccc1 18064912 OIENTSIVWHEOBL-HAVVHWLPSA-N 441.527 5.488 30 20 IKED Cn1ccnc1[C@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1F 18236739 IXQPYAWROUZKKS-MRXNPFEDSA-N 445.338 5.116 30 20 IKED Cc1cc(-c2cc(C(=O)N[C@@H](C)c3ccc(C#N)cc3)c3cnn(C(C)C)c3n2)c(C)o1 26125427 YWHURDUPIZHDSZ-INIZCTEOSA-N 427.508 5.252 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccco1 29547708 HIJJXQLRKVTXMJ-QGZVFWFLSA-N 446.532 5.636 30 20 IKED Cc1nc(Cc2ccccc2)sc1/C(O)=N/c1nnc(SCc2ccccc2)s1 30560808 OUFGAEGMLMVBBH-UHFFFAOYSA-N 438.603 5.822 30 20 IKED CC[C@H](C)c1ccc([C@H](NC(=O)c2cc(C#N)c(SC)nc2O)c2cccs2)cc1 31892893 MDVCNYMCLQDCEP-XOBRGWDASA-N 437.590 5.475 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccoc1C 36802884 UGSVSRCOBZAYJZ-LBPRGKRZSA-N 437.352 5.459 30 20 IKED Cc1cc(C)c(CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c(C)c1 63747918 VASPUXYIAPCQOU-UHFFFAOYSA-N 443.572 5.144 30 20 IKED CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 107876059 OAQLQAKWWRYWJI-JOCHJYFZSA-N 431.923 5.842 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)c1ccccc1Sc1ccc(Br)cn1 108619465 QXMBJVMHAAHCQC-UHFFFAOYSA-N 438.350 5.139 30 20 IKED C#CCN(C(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C)C1CCCCC1 109325145 WZOYUIQMGUTSGW-UHFFFAOYSA-N 432.948 5.509 30 20 IKED CC(C)NC(=O)Cc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 261409489 CIWJLVOHBNONCH-UHFFFAOYSA-N 447.922 5.323 30 20 IKED CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)c1cccc(SCC#N)c1 429818535 HTXUEBGDDTVYQG-UHFFFAOYSA-N 437.540 5.581 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)c2cccc(SCC#N)c2)nc1-c1ccccc1 430698281 YTKJBJOWLGAFFX-OAQYLSRUSA-N 431.561 6.058 30 20 IKED Cc1cc(C)c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c(Br)c1 432872292 LSECQYGDAWMURB-UHFFFAOYSA-N 425.282 5.362 30 20 IKED Cc1cc(C#N)ccc1C(=O)Nc1c(-c2ccccc2)nc2ccc(Br)cn12 432970644 HEAIJSVSIZAVIS-UHFFFAOYSA-N 431.293 5.196 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 437908548 WLCJDEADIOILNO-LJQANCHMSA-N 427.548 6.388 30 20 IKED C[C@@H](Nc1cccc(COc2cccc(F)c2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 439553471 VTWZDFMDCXUWLA-GOSISDBHSA-N 435.474 5.291 30 20 IKED CCCc1c(NC(=O)Cc2csc(-c3ccccc3)n2)cnn1-c1cccc(C#N)c1 440080949 ZXPJMMJDWUSUBB-UHFFFAOYSA-N 427.533 5.001 30 20 IKED COc1ccc([C@H](NC(=O)NCC2CCC(C#N)CC2)c2ccc(C(F)(F)F)cc2)cc1 440996844 CRQZDEZIXJUNCR-CNXQINBVSA-N 445.485 5.433 30 20 IKED N#CC(CCN1CCC(C(=O)N2CCc3ccccc32)CC1)(c1ccccc1)c1ccccc1 444645046 GEZPWLVQJQPCOE-UHFFFAOYSA-N 449.598 5.188 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(c3ncccc3Cl)CC2)cc1C 469963881 DLZUTWNRRUFRAB-UHFFFAOYSA-N 447.970 5.149 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3cc4ccc(C(F)(F)F)cc4[nH]3)ccc21 470776859 NNKNFWPHBCBEIM-UHFFFAOYSA-N 440.425 5.022 30 20 IKED C[C@H](NCc1nnc(-c2ccc(Cl)cc2)n1C)c1ccc(-c2cccc(C#N)c2)cc1 473054834 UYBGQEIRNFMJAR-KRWDZBQOSA-N 427.939 5.525 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(Cc4ccccc4F)s3)n2)cc1 478081596 VXFZIKSLUAOGFH-QGZVFWFLSA-N 433.533 5.795 30 20 IKED COc1ccc([C@@H](NCc2ccc(C#N)c(F)c2)c2ccccc2)cc1Br 479487870 FTFQNFSUZRPHIE-QFIPXVFZSA-N 425.301 5.348 30 20 IKED N#CCCSc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 480182487 URZIXJKPXUNBCI-XZOQPEGZSA-N 428.557 6.014 30 20 IKED C=CCn1c(SC[C@@H](O)COc2c(Cl)cccc2Cl)nnc1-c1cccs1 480386971 UXCKVRUMNMMQPW-LBPRGKRZSA-N 442.393 5.031 30 20 IKED CN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481739792 JOFLNTXABADNEE-UHFFFAOYSA-N 425.410 5.218 30 20 IKED CCc1c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cnn1-c1ccccc1Cl 482713009 CVUYGBMWEFDPMS-UHFFFAOYSA-N 446.894 5.384 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccccc2SC(C)C)nnc1-c1ccco1 483117313 GMPRXILIEYACHX-UHFFFAOYSA-N 428.583 5.346 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F 483602216 QCGXJGCKOOZPHV-GOSISDBHSA-N 446.876 5.648 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 484797227 KAPXNDAXGQJHEP-NRFANRHFSA-N 447.583 5.287 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(Cl)cc3F)s2)c(C(F)(F)F)c1 487450924 QUMVXFCYWNQRDN-UHFFFAOYSA-N 439.821 5.669 30 20 IKED Cc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)cc1 488382078 UWFSCZBJIQURQL-OFVILXPXSA-N 439.559 6.050 30 20 IKED C=CCn1c(SCC(=O)c2ccc(OCc3ccccc3)cc2)nnc1-c1ccccn1 488889187 JQNXZKGUVODPAU-UHFFFAOYSA-N 442.544 5.080 30 20 IKED N#C[C@@H](C(=O)c1cnc(-c2ccsc2)s1)c1nc(-c2ccc(Cl)cc2)cs1 491977445 KVQYPEMIJZOFSU-AWEZNQCLSA-N 427.963 6.139 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)c1nc2ccccc2n1C(F)F 492081438 PICGYONQKDXAAW-INIZCTEOSA-N 439.368 5.992 30 20 IKED Cc1ccc(C[C@H](C#N)Sc2nnc([C@@H](C)N(C)C)n2-c2ccc(Cl)cc2)cc1 494342629 BWCPBCFJIIHHCW-OXQOHEQNSA-N 425.989 5.079 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 499217414 JIBXURSZTBSUCB-CYBMUJFWSA-N 445.372 5.309 30 20 IKED C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 501477892 KAPPURPCYNCRLS-CJAUYULYSA-N 439.515 5.178 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(OCc4ccccn4)c(Cl)c3)CC2)cc1 503504055 PRRXQYZZDRDIOF-UHFFFAOYSA-N 444.922 5.507 30 20 IKED N#C[C@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1c(Cl)cccc1Cl 505505216 FEDOETREEICOES-ZDUSSCGKSA-N 441.196 5.057 30 20 IKED Cc1nnc(Sc2ccc(NC(=O)CSCc3ccc(C#N)cc3)c(C)c2)s1 505866677 UARSTUWTYTZYJY-UHFFFAOYSA-N 426.592 5.050 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 509670137 ZBEHEOXBXNMJPE-FQEVSTJZSA-N 440.503 5.233 30 20 IKED C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510023316 KBBMKASURQITMG-FOIQADDNSA-N 439.893 6.499 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 510273505 VWKVRJDEXCRAQI-UHFFFAOYSA-N 436.895 5.450 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccccc2OC2CCCC2)cc1 510706838 ZRMJYWVUNUUFOV-UHFFFAOYSA-N 433.552 5.144 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC([C@@H](F)c2ccccc2F)CC1 511111705 YWNYSODZNIUQRV-MZNJEOGPSA-N 443.563 5.581 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)c1 512371300 GJPVPJWBOGKNCP-JOCHJYFZSA-N 434.433 5.223 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3ccc(Oc4ccc(F)cc4)nc3)c2)c1 512836036 WMVKQXBAKUXLOE-UHFFFAOYSA-N 439.490 5.753 30 20 IKED N#Cc1ccc(OC2CCN(Cc3nc(-c4c(F)cccc4F)cs3)CC2)c(F)c1 512852706 XFIKHEUUTSQINW-UHFFFAOYSA-N 429.467 5.142 30 20 IKED CC(C)(CNCc1cn(CCC#N)nc1-c1ccccc1)c1cccc(C(F)(F)F)c1 519283596 ROVGOGRJOITJRN-UHFFFAOYSA-N 426.486 5.550 30 20 IKED C[C@H](c1ccc(Cl)c(Cl)c1)N(C)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 519891122 IROXSVFOXRGWAC-SNVBAGLBSA-N 437.270 5.266 30 20 IKED Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(C)c1 519988339 NPWXENXUXRAMLI-UHFFFAOYSA-N 442.519 5.378 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 521808524 JFOUKZRKBMGWNA-KRWDZBQOSA-N 426.561 5.006 30 20 IKED COc1cc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 522642306 CBIYYCJZCOPJQT-RCDICMHDSA-N 443.887 5.251 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)N[C@H](C)c1ccc(C#N)cc1 525243858 NKZTWBFAQJBCDG-KGLIPLIRSA-N 426.383 6.165 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(NC(=O)c2ccccc2)c1 533172320 NGJBDLUMGQVZIY-SFHVURJKSA-N 444.560 5.512 30 20 IKED Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)Nc1ccccc1S[C@H](C)CC#N 533767730 NBPDXXDQHCWETB-MJGOQNOKSA-N 433.581 5.436 30 20 IKED CN(C(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1)c1ccccc1 534595865 VDTJZSQIFXDIOV-UHFFFAOYSA-N 429.545 5.418 30 20 IKED Cc1ccc(Br)c(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1 534895717 CMYUJNYKIQCBGP-UHFFFAOYSA-N 437.341 5.404 30 20 IKED CC[C@@H](C)n1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1C1CC1 535530382 WOQDIJSUULERIH-MRXNPFEDSA-N 430.508 5.656 30 20 IKED N#Cc1cccc(COc2cccc(CNC3(c4ccc(F)cc4F)CCOCC3)c2)c1 536338439 JUDVFPUIKGVETG-UHFFFAOYSA-N 434.486 5.211 30 20 IKED COc1ccc(SC)c(OC)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 537191812 APBRCBROCGPEOA-UHFFFAOYSA-N 448.544 5.437 30 20 IKED Cc1ccc(C#N)cc1NC(=O)N[C@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F 538620556 OCECQZWGXDWWTE-HXUWFJFHSA-N 427.430 5.094 30 20 IKED CCc1ccccc1N(C(C)=O)c1nc(CSc2cccc(Cl)c2C#N)cs1 540047264 VMDUXUZUGSOLHQ-UHFFFAOYSA-N 427.982 6.207 30 20 IKED C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 543606566 IHCBAGHOEPZHIS-HXOBKFHXSA-N 430.483 5.286 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 543888742 AEHDMERRWGLWRP-OAHLLOKOSA-N 446.511 5.198 30 20 IKED C[C@@H](NC(=O)N[C@H](c1ccccc1)c1ccccn1)c1ccc(-c2cccc(C#N)c2)cc1 543936402 SLTFGTFEJUOPEJ-NFQMXDRXSA-N 432.527 5.770 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 549250752 IFMRHHNVUATDCD-VGOFRKELSA-N 431.565 5.097 30 20 IKED C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 549264965 XKHZFNKFHZYPOK-IBGZPJMESA-N 448.514 5.103 30 20 IKED CC1(C#N)CCN(c2nnc(-c3cccc(C(F)(F)F)c3)n2Cc2cccs2)CC1 549963351 KYOYXNCQPKNZKW-UHFFFAOYSA-N 431.487 5.204 30 20 IKED N#C[C@@H](NC(=O)c1cc2cc(Br)ccc2o1)c1ccc(OC(F)(F)F)cc1 557644805 QGROUMCGHSQWDS-CQSZACIVSA-N 439.187 5.089 30 20 IKED C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H]1c1ccc(COC)o1 558453321 YBBYYOFDQMDGOF-FPOVZHCZSA-N 436.556 5.302 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(Oc2cc(C)ccc2C)nc1 562255922 HEPYSUSMKKMKNL-UHFFFAOYSA-N 447.583 5.556 30 20 IKED C=CCn1c(SC[C@@H](C)C(=O)c2ccc(F)c(F)c2)nnc1-c1ccccc1OC 565100969 NKFKNRNKOYCRRG-CQSZACIVSA-N 429.492 5.029 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1ccc(Br)cc1F 583291413 NBIKLEHDXHKGJX-STQMWFEESA-N 436.350 5.723 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)o1 592974639 WAYCAJVHGYAPLS-KRWDZBQOSA-N 442.475 5.680 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(OC4CCCC4)cc3)s2)cc1 603564512 MQCSNXKAGAFSBU-UHFFFAOYSA-N 436.562 5.276 30 20 IKED COCc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)oc2ccccc12 603759158 VKQJCRMTDAHEHP-HXUWFJFHSA-N 430.891 6.140 30 20 IKED C=CCCCN(C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(OC)c1OC)CC2 605645038 RUZMVINRWKIKJX-VHEBQXMUSA-N 442.559 5.777 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 607538625 FMJMSQPDXFASKB-MGPUTAFESA-N 438.515 5.145 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(Cl)cc(Br)c1OC 609210883 QHXJNLWNSMRYRP-UHFFFAOYSA-N 434.721 5.203 30 20 IKED CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccccc1S[C@@H](C)CC#N 609427868 YWTFZHXJNHITKO-MGPUTAFESA-N 429.973 5.127 30 20 IKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 609520606 VLAMVROBNNGVHV-IGKIAQTJSA-N 440.543 5.785 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cccc(Cn3cccn3)c2)c1 609723213 VETKZFQRMBMUEP-UHFFFAOYSA-N 428.879 5.501 30 20 IKED C[C@@H](NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cccc(C#N)c1 610400599 JHQGKABZBDLJIQ-GOSISDBHSA-N 439.494 5.110 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)cc2)cc1 610630438 GCWYXEZSVNOZKI-IRXDYDNUSA-N 443.347 5.555 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 611492436 REZSKHBCSXZFRB-CQSZACIVSA-N 443.473 5.084 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)n2)cc1 613318735 AHXASJYHGVAJBF-CQSZACIVSA-N 432.471 5.579 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)C(F)(F)F 614252120 HXQMLQLYJCITSX-SZNDQCEHSA-N 441.457 5.025 30 20 IKED CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)NCc1ccc(C#N)c(Cl)c1 619770025 VSGNQAYDKVKXIS-UHFFFAOYSA-N 436.943 5.421 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(OC2CCCCC2)CC1 670211970 YRLSBSFFYANQCK-IBGZPJMESA-N 442.579 5.451 30 20 IKED Cc1ccc(N(CCC#N)C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc1 726940112 IPHFOHJABFCTIZ-UHFFFAOYSA-N 429.467 5.627 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)c3ccc(CNC(=O)OC(C)(C)C)cc3)c2C#N)C1 727949258 OIBQZEZPUIVAMS-CQSZACIVSA-N 425.554 5.022 30 20 IKED COc1ccccc1-n1c(-c2cccs2)nn(CN(CCC#N)CC(C)(C)C)c1=S 729468445 UBDAVNAPDAZMDK-UHFFFAOYSA-N 441.626 5.360 30 20 IKED N#C[C@H]1C(CN(Cc2ccccc2F)C2CCCCC2)=CC(=O)n2c1nc1ccccc12 729474621 KKFODGOVDLEVHC-NRFANRHFSA-N 428.511 5.198 30 20 IKED C[C@H](Sc1ccc(Br)cc1)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 730417060 KEJCRPQVOYGLPF-HZMBPMFUSA-N 435.343 5.555 30 20 IKED C=CCn1c(S)nnc1-c1sc(NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc23)nc1C 730830764 XJOXOVGVVXJUGI-MSOLQXFVSA-N 447.589 5.080 30 20 IKED CCc1ccc(-n2nc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)c3c2CCC3)cc1 730921014 SWXFIGSJAGRFCI-QHCPKHFHSA-N 448.526 5.038 30 20 IKED CC(C)c1cc(=O)oc2cc(OCC(=O)Nc3ccccc3SC[C@H](C)C#N)ccc12 730953292 CSNDHFLIEPCWSJ-MRXNPFEDSA-N 436.533 5.186 30 20 IKED CC(C)Sc1ccc(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 731074253 MUFODEGNZCTCFA-INIZCTEOSA-N 428.579 5.234 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 731114045 DBOVLBSWHGGFRT-LJQANCHMSA-N 448.592 5.832 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2ccccc2)C(=O)N[C@@H]1c1csc(C2CC2)n1 731421951 VYBGFJGXTGTFGK-JOCHJYFZSA-N 447.535 5.426 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccnn2C2CCCCC2)cc1 732430557 MJFIMGGHCOJCIF-UHFFFAOYSA-N 431.515 5.633 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2sc3cc(C(C)C)ccc3c2Cl)n1 732708921 JGNRRAIOFMIVNP-ZDUSSCGKSA-N 432.954 5.801 30 20 IKED FC(F)(F)CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccccc1 733081336 VMSHVPXZRNDPCJ-UHFFFAOYSA-N 425.336 5.326 30 20 IKED N#C[C@@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1ccc(Br)cc1 733253331 HTNHNWSKABDSJJ-QGZVFWFLSA-N 433.396 5.312 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)NCc2ccc(Oc3ccccc3)cc2)ccc1OC 733649013 XOTWUHOGGWYZNE-OAQYLSRUSA-N 445.519 5.168 30 20 IKED CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1noc(-c2ccc(Oc3ccc(C#N)cn3)cc2)n1 733735160 GQJOFQUNUOJWGS-LJQANCHMSA-N 449.511 5.407 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N(CC)Cc2cccc(-c3ccncc3)c2)cc1OC 741645169 FDSBADXTGJFMMB-BENRWUELSA-N 428.532 5.384 30 20 IKED Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCc1nnc(-c2cccc(C#N)c2)o1 741835507 XZUJYMNWSAUKBR-UHFFFAOYSA-N 446.466 5.489 30 20 IKED Cc1cccc(Oc2ccccc2NC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c1 743072756 DCMBEXDAIPEAPG-UHFFFAOYSA-N 442.519 5.264 30 20 IKED CC(=Nn1cnc2sc(C)c(C)c2c1=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C 743426999 ZRGRJKSLDRITMA-UHFFFAOYSA-N 446.363 5.148 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cn(-c3ccc(Cl)cc3)nc2C)cc1 744027901 DWMDJUNZHVCPQM-OAQYLSRUSA-N 434.927 5.138 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)cc1OC 744033537 UMTXYZZQYRXBBR-IBGZPJMESA-N 446.503 5.222 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)cc1 744033851 VYGGDZVTOXEWQN-VGOFRKELSA-N 433.552 5.454 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 749361252 WJGQDFLEDSXYKC-UHFFFAOYSA-N 428.495 5.651 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3Br)c2)cc1 758284976 LUQMSEZUPSOPND-UHFFFAOYSA-N 438.237 5.274 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(N3CCCC3=O)ccc2Cl)cc1 760351947 XHBLPHFOOFXHAG-JOCHJYFZSA-N 429.907 5.375 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NC2CCC(O)(c3ccccc3)CC2)cc1 760709519 OBQBZJINMLBWEB-UHFFFAOYSA-N 430.479 5.050 30 20 IKED C[C@](O)(CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1Cl 765151708 ALJATLMVQZNCQZ-VWLOTQADSA-N 449.938 5.014 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CCOc3cc4c(cc3C2=O)CCC4)cs1 768489662 FCCXLXJIYDKUCV-WQRHYEAKSA-N 448.519 5.504 30 20 IKED Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cn(CCCC#N)c3ccccc23)c(Cl)c1 769539878 BTTIVZHKRYGQDB-KRWDZBQOSA-N 437.927 5.399 30 20 IKED C[C@@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1ccc(N2CCOC2=O)cc1 769788443 WUZQNHDPSZRWOT-OAQYLSRUSA-N 425.532 5.194 30 20 IKED N#C[C@H]1C(CNC2(c3c(Cl)cccc3Cl)CCC2)=CC(=O)n2c1nc1ccccc12 773976308 LAWJXMVQLUBENW-HNNXBMFYSA-N 437.330 5.199 30 20 IKED CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)ccc21 776878519 PJFDIPAIQWNULU-UHFFFAOYSA-N 446.532 5.232 30 20 IKED CCN(C(=O)Cc1ccccc1CC#N)[C@H](c1ccc(Br)cc1)c1cccnc1 776920064 LROZYNVFFWUIMG-XMMPIXPASA-N 448.364 5.091 30 20 IKED C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccccc1OCc1ccccc1 777117155 KBLXBVLXKGSGNI-FQEVSTJZSA-N 427.548 5.271 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 780164440 KPEZFTCFLBCTHP-LBPRGKRZSA-N 432.332 5.589 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(-c2ccc(Br)cc2)s1 780168062 UVFWUDQWFXLKLL-CYBMUJFWSA-N 427.323 5.721 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(-c2noc([C@H]3CCCN3c3ccc(C#N)cc3)n2)c1 782223728 SPUURNRCROGRCR-HXUWFJFHSA-N 431.496 5.297 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\COc3c(F)ccc(F)c3C2=O)cs1 783711512 DPRNNCYMOCQTTK-NTEUORMPSA-N 426.444 5.073 30 20 IKED Cc1ccc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)Nc2ccsc2)c1 790118675 XPKRXEXFMZPQOC-UHFFFAOYSA-O 438.598 5.074 30 20 IKED CC(=NNc1nc(O)c2cnn(C(C)(C)C)c2n1)c1cc(F)ccc1SC(C)(C)C 790298278 YPRQJNVMTWZZIS-UHFFFAOYSA-N 430.553 5.153 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 790857647 NMEBFGHRBLLSEV-UHFFFAOYSA-N 446.469 5.153 30 20 IKED C[C@@H](OC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1C(F)(F)F 801899743 ZOKZUHLJVNMVPQ-BMIGLBTASA-N 437.311 5.305 30 20 IKED O=[N+]([O-])c1cc(Cl)cc(C=Nc2ccc(-c3nnc4n3CCCCCC4)cc2)c1O 812415790 NKVYRXKTXBUKPA-UHFFFAOYSA-N 425.876 5.079 30 20 IKED Cc1ccc(N(C)C(=O)c2ccc(COc3ccccc3C#N)o2)c(Br)c1 813309389 KJCBLOZSTVTYQK-UHFFFAOYSA-N 425.282 5.078 30 20 IKED COc1cccc2c1[C@@H](C(=O)[C@H](C#N)c1nc(-c3ccc(Cl)cc3Cl)cs1)CC2 815911607 HLWZDXJUAQQBFB-HOTGVXAUSA-N 443.355 6.032 30 20 IKED CCOc1cccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)c1OC(F)F 916546327 LRBUKVPTEXZXCZ-UHFFFAOYSA-N 438.887 5.106 30 20 IKED N#C[C@@H](C(=O)CCSc1ccc(F)cc1)C(=O)Nc1ccccc1Oc1ccccc1 916906428 SZKFWQJRHDSICT-FQEVSTJZSA-N 434.492 5.448 30 20 IKED Cc1cccc(C)c1OCCC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916912431 ZFUYOMUIQRFKLA-NRFANRHFSA-N 428.488 5.212 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(N(C)C)cc2)cc(Br)c1OC(F)F 917142360 AXLVZRNBAOWMTJ-RUDMXATFSA-N 426.257 5.021 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 919893198 ABALZTOMMAGUGM-UHFFFAOYSA-N 435.524 5.245 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2nc3ccccc3[nH]2)cs1 920362233 RJTBZNVCRQXBHX-UHFFFAOYSA-N 444.442 5.169 30 20 IKED N#Cc1ccc(Br)c(CSc2nc(O)c3c4c(sc3n2)CCCC4)c1 1643334360 UEFJLANIPHAYHL-UHFFFAOYSA-N 432.368 5.202 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c[nH]nc4c3)CCC2)cc1 1789451233 CHWWKEYABTYXLM-JOCHJYFZSA-N 428.536 5.079 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3ccnc4ccccc34)CCC2)cc1)C(F)(F)F 1791303148 NIHGSOGKKYLVIM-UHFFFAOYSA-N 439.437 5.101 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C4CC5(CCC5)C4)cc3)CCC2)c1 1792039566 ANLZIQONGWUDRG-LJQANCHMSA-N 441.575 5.642 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccc(C)cc1)C2 1798593115 PXVYTKSGIJWRPP-NUNAXRQHSA-N 445.607 5.301 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ncccc23)[nH]n1 1814443141 NRKFDHNAKIRDGP-QFIPXVFZSA-N 445.567 5.256 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3cc(C)[nH]c23)CC1 1828213522 WFAMFTGRTXZKNL-XMMPIXPASA-N 449.639 5.702 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccsc2)CC1 1828822105 WXQTWYJQMSULRQ-GZURJRJYSA-N 426.626 5.149 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)cc2)CC1 1828827393 MEVTTXCPNBVFLE-GOTSBHOMSA-N 429.004 5.342 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](F)c2ccccc2)CC1 1829068138 GWZIGUKXGKDPDA-PKTZIBPZSA-N 428.592 5.309 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2OCC)CC1 1829918942 ITEGMLIWTPESFL-HSZRJFAPSA-N 440.628 5.311 30 20 IKED CC1(C)CCC(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)CC1 1829958422 IELLMLDCRROVBJ-RUZDIDTESA-N 449.639 5.398 30 20 IKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1830578923 MVMFFRGBULRQIF-IBGZPJMESA-N 442.909 5.168 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1831369055 BABPCGIYDBGZFJ-UZUQRXQVSA-N 442.003 5.267 30 20 IKED C=CCn1c(SCc2c(F)c(F)c(F)c(F)c2F)nnc1-c1ccccc1OC 10242769 HGHHXGFEUHWVRQ-UHFFFAOYSA-N 427.398 5.128 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(F)c(Cl)c2)c1 10759056 RKBUHDQFKFXKFQ-UHFFFAOYSA-O 435.878 5.404 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(\S)Nc2ccccc2Cl)[n+]2ccc(N(C)C)cc2)c1 10826970 JUOTYWHQIJGZPI-UHFFFAOYSA-O 439.004 5.361 30 20 IKED CCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2cccc(Cl)c2)cc1 10830312 JFZAHSFHYUGMJP-UHFFFAOYSA-O 430.380 5.894 30 20 IKED Cc1ccc(-c2ccsc2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 14634688 VLJIKMORVLKNHG-UHFFFAOYSA-N 448.598 5.991 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(OC)cc1)[n+]1ccc(C(C)(C)C)cc1 15247505 CQUPVWSLGFBTDF-UHFFFAOYSA-O 447.624 5.894 30 20 IKED C=CCOc1ccccc1C=C(C(=O)Nc1ccccc1F)C(=O)Nc1ccccc1F 16441720 HKGGENRFNGMANF-UHFFFAOYSA-N 434.442 5.190 30 20 IKED C=C(C)CN(CC)C(=O)[C@H](C)Sc1nnc(-c2ccc(OC)cc2)n1C1CCCCC1 23417866 BKCKVEWLQIRYFW-SFHVURJKSA-N 442.629 5.364 30 20 IKED COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)O[C@H](C)C#N)cc1OC 23542344 DDUQOBYGUKGRIF-APVMCDBPSA-N 428.488 5.198 30 20 IKED CCC[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C)c1ccc(Cl)c(Cl)c1 60709136 CLCTVLYEKAGIAC-GOSISDBHSA-N 448.350 5.248 30 20 IKED CC[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1nc(-c2ccccc2)c[nH]1 109422022 XGINLEQSRRYLCN-FQEVSTJZSA-N 426.476 5.001 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2C)nc2sc(-c3ccccc3)cc2c1=O 255941521 PMWOMXHPLRHZSE-UHFFFAOYSA-N 447.585 5.350 30 20 IKED O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1c(Cl)nc2ccccn12 303919893 VTDQFALUVJKUAR-VAWYXSNFSA-N 439.906 5.191 30 20 IKED CCCc1c(NC(=O)c2c(F)ccc(C)c2Br)cnn1-c1cccc(C#N)c1 427498984 ZEPMYTJQIXSLFB-UHFFFAOYSA-N 441.304 5.159 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)s1 430593612 SZCDLBIWWDWUHR-KRWDZBQOSA-N 434.521 5.451 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C3(c4cccc(C#N)c4)CC3)cc2Cl)c1 435029593 YLYMOCNKNOPVCR-UHFFFAOYSA-N 427.891 5.333 30 20 IKED CC(C)Oc1ccc(NC(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)cc1C#N 435561708 XJZPWIFKFUDNHP-GOSISDBHSA-N 430.508 5.202 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C)c1ccccc1 435747546 JEKLJOURNBURDB-XMMPIXPASA-N 441.531 5.010 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1ccn(-c2ccc(F)cc2)n1 437421449 VQDQHPSKDMOFFC-MRXNPFEDSA-N 440.569 5.135 30 20 IKED Cc1cc2nc(C)c(CCC(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)c(C)n2n1 437485550 MOKLTBAEMKYRAZ-UHFFFAOYSA-N 443.482 5.029 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1 437948875 CUMMWVAPXLVEKL-SFHVURJKSA-N 431.561 5.700 30 20 IKED CCCc1c(NC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)cnn1-c1cccc(C#N)c1 439664661 PGIBMZRNWOQBNR-HSZRJFAPSA-N 429.524 5.074 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cn4cc(Cl)cc(Cl)c4n3)n2)cc1 442504518 FLLYGLWSOLCWDL-AWEZNQCLSA-N 443.315 5.263 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@@H]2CC(=O)c2cccs2)cc1 443670032 RGLLOVCRWYCVKT-OAQYLSRUSA-N 430.529 5.076 30 20 IKED CN1CCC[C@H](CNCc2cccc(OCc3ccccc3C#N)c2)[C@@H]1c1cccs1 462719753 SHMIPPITLJZTCE-ATIYNZHBSA-N 431.605 5.371 30 20 IKED N#Cc1ccc(F)c(CNC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)c1 464037643 GUZFRKOSDVJTPG-UHFFFAOYSA-N 442.277 5.186 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3cc(-c4ccccc4)ccc3Cl)ccc21 469950201 JLCCKWQNOBNEKS-UHFFFAOYSA-N 443.934 5.842 30 20 IKED Cc1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1C(=O)N1CCCCC1 470472627 HMNHPTNSCWVUGH-UHFFFAOYSA-N 428.536 5.132 30 20 IKED Cc1cc(Br)c(F)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 471560837 SGJWUJJOTARDNL-UHFFFAOYSA-N 429.245 5.193 30 20 IKED COc1ccccc1[C@@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)OC(C)C 473676383 OMOURWGLRQAQLB-LAUBAEHRSA-N 427.570 5.377 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](c1ccc(C(=O)OC)cc1)C(F)(F)F 475554232 XGRNIYJFQYHZSY-HXUWFJFHSA-N 434.458 5.750 30 20 IKED N#CC[C@@H](CC(=O)N(CCCn1ccnc1)Cc1c(F)cccc1Cl)c1ccccc1 475905523 LAZZLOOMWHENFQ-FQEVSTJZSA-N 438.934 5.182 30 20 IKED C[C@H](Cc1cncc2ccccc12)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 478728857 YMIDVXAYVMNNRT-OAHLLOKOSA-N 445.573 5.068 30 20 IKED Cn1nc(C2CCCCC2)cc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 478761061 MGPBJLLGYWGREI-UHFFFAOYSA-N 430.577 5.884 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CC(C)C)[C@H]2CCCc3cccnc32)cc1 480849626 ZPYASSFOOJZQAV-DEOSSOPVSA-N 446.595 5.463 30 20 IKED COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 481929296 FXBNEQOWLNHUML-XMMPIXPASA-N 428.488 5.345 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)C[C@@H](c3cccs3)n3cccc3)c2)cc1 483721436 LEILJWDPNGOOQP-DEOSSOPVSA-N 441.556 5.813 30 20 IKED CN(C(=O)c1ccc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1 486595069 UAVSRISWTWVCFA-UHFFFAOYSA-N 441.575 5.288 30 20 IKED N#CCCC[C@H](NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1 487157429 PLELKAAZXNCVEP-FQEVSTJZSA-N 443.494 5.923 30 20 IKED CC[C@@H](NC(=O)Nc1ccc(C#N)c(Br)c1)c1nc(C(F)(F)F)cs1 487888367 ZPHXYQQOOADDTI-LLVKDONJSA-N 433.253 5.069 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N(c1ccc(F)c(Cl)c1)c1nccs1 489145036 BBMRLINHARMBOU-UHFFFAOYSA-N 445.903 5.340 30 20 IKED N#C[C@@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccc(Br)cc1 499387226 GVQDHSKMUYAZPR-QGZVFWFLSA-N 444.716 5.071 30 20 IKED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1Cc1ccccc1 501578165 DOUQRTKSCJBKOU-GOSISDBHSA-N 438.572 5.038 30 20 IKED Cc1ccccc1[C@@]1(F)CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 502161707 ILZRJANJNRATRA-HHHXNRCGSA-N 443.522 5.743 30 20 IKED CCCOc1ccccc1NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 502257231 MYCLWWFFXCKCMB-UHFFFAOYSA-N 425.539 5.135 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](c1ccccc1)c1ccncc1 503031820 DXZJSBUOBBEPOU-AREMUKBSSA-N 434.499 5.965 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CCSc4ccccc43)c2)cc1 504091661 ZHPKIDKMXVQHDT-HSZRJFAPSA-N 429.545 5.690 30 20 IKED Cc1c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)nnn1-c1ccccc1Cl 504298845 KAWQGRORBFGCQT-UHFFFAOYSA-N 445.935 5.180 30 20 IKED N#C[C@@H](C(=O)c1cccc2nc(O)oc12)c1nc(-c2ccc(Cl)cc2Cl)cs1 504545166 HSWCIZRTAJKGPM-LBPRGKRZSA-N 430.272 5.454 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)cc1 505623095 VJBGNFNJUKTTCZ-AOMKIAJQSA-N 441.487 5.206 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1 507941271 XKJAXWSHUFZARV-UHFFFAOYSA-N 427.435 5.716 30 20 IKED N#CCC[C@H](C#N)CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(Cl)cc1 508341464 GXQHVWZYORHYKG-CYBMUJFWSA-N 429.332 5.228 30 20 IKED CCOc1ccccc1N1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 510657095 JHFCCDQXXXFYJB-UHFFFAOYSA-N 442.519 5.103 30 20 IKED CN(CCOc1ccc(F)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511374078 VDVNLJFLMOKBTR-UHFFFAOYSA-N 433.483 5.013 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(OC)c(C(C)C)c(OC)c3)n2)cc1 512721690 WPGOFLFOGYUKNP-GOSISDBHSA-N 436.533 5.449 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(OC4CCCC4)c(Cl)c3)CC2)c1 519180715 BYFANGMHYMYPQO-UHFFFAOYSA-N 439.943 5.608 30 20 IKED C[C@@H](NC(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1)c1ccc(C#N)cc1 519944667 UMDJBERNLZEDEU-OPAMFIHVSA-N 434.337 5.471 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1 521309487 OVPBPZJLMVUEBU-UHFFFAOYSA-N 438.487 5.016 30 20 IKED N#Cc1ccccc1COc1cccc(CNCc2ccc(CN3CCCCC3)cc2)c1 521822013 PFYCZQNCKDWAOS-UHFFFAOYSA-N 425.576 5.413 30 20 IKED C=CCN(C(=O)c1ccc(C(C)=O)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 521953824 WPIBIHMQFRILDY-UHFFFAOYSA-N 431.344 6.152 30 20 IKED Cc1c(C[S@](C)=O)cccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 523960240 XXFYGYHKBHUNRL-PMERELPUSA-N 438.936 5.443 30 20 IKED N#CCCCOc1cccnc1NC(=O)CC1(Cc2nc3ccccc3s2)CCCCC1 524275206 QXRKPDQRRDHMQQ-UHFFFAOYSA-N 448.592 5.896 30 20 IKED CC(C)n1cnnc1[C@@H]1CCCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C1 534903791 CCSIIJUIYUPQBT-LJQANCHMSA-N 449.942 5.196 30 20 IKED COc1cc(C[S@@](=O)Cc2cccc3cccnc23)ccc1OCc1cccc(C#N)c1 535591865 FSKVKBAGSAXKMQ-JGCGQSQUSA-N 442.540 5.143 30 20 IKED COc1ccc(C[C@H](C)CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 536279990 KPRXTASVWUOCTK-FQEVSTJZSA-N 443.547 5.341 30 20 IKED COc1ccc([C@@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)c2c[nH]c3ccccc23)cc1 539689709 PPZQPPFXISKBGP-XMMPIXPASA-N 435.527 5.294 30 20 IKED Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 542023216 KCUCNQRWRIMICD-OAQYLSRUSA-N 447.514 5.979 30 20 IKED N#C[C@@H](C(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cn1 542284084 ZYIOZEILBRGAGH-CYBMUJFWSA-N 425.288 5.264 30 20 IKED CN(C(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 542680536 ALOHPTWARRKRRA-DQEYMECFSA-N 429.495 5.005 30 20 IKED O=C(CC[C@@H]1CCCO1)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 543084581 LPFKNBQXUIHHMH-GXTWGEPZSA-N 437.302 5.403 30 20 IKED C=CCOc1cccc(NC(=O)N2CCC(Oc3cccc(Br)c3)CC2)c1 544792677 ZUNRSOAEXRUTDI-UHFFFAOYSA-N 431.330 5.089 30 20 IKED Cc1csc(Sc2ccc(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)c(C)c2)n1 554562304 XRBKDILTYZGXOT-UHFFFAOYSA-N 449.605 5.395 30 20 IKED N#CCC[C@@H](C#N)CNC[C@@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 554863389 RDVGTNROMGXXBN-YWZLYKJASA-N 433.408 5.187 30 20 IKED C=C1CCN(c2nnc(COc3ccccc3-c3ccccc3)n2CCCOCC)CC1 555309300 NZYONKFRHUJQRJ-UHFFFAOYSA-N 432.568 5.107 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 557614875 PHLKSVJVHCIKOB-MUUNZHRXSA-N 437.543 5.089 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(Br)cc1 562096393 SGXUAIWWHDUKDY-AWEZNQCLSA-N 437.297 5.391 30 20 IKED Fc1cc(CNCc2cccc(-c3nc(CC(F)(F)F)no3)c2)cc(C(F)(F)F)c1 564415354 NUDJFRIEKUJTSH-UHFFFAOYSA-N 433.327 5.289 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 578260532 BPPKRJNVWUICSY-GFCCVEGCSA-N 440.319 5.091 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2noc3cc(F)ccc23)CC1 579410706 SYGXVYAKCRYTHW-HNNXBMFYSA-N 438.528 5.630 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)COc1ccc(F)cc1Br 579992823 QFOWYGNPNCXBJV-UHFFFAOYSA-N 439.284 5.072 30 20 IKED COc1cc(CN[C@H](C)c2sc(-c3ccc(Br)cc3)nc2C)ccc1C#N 582875319 SJWNSYFODBFLNJ-CYBMUJFWSA-N 442.382 5.612 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 585746933 VWNHZGBRUMDICE-VXKWHMMOSA-N 443.469 5.031 30 20 IKED N#Cc1cccc(-c2nnc(N3CCC[C@H]3c3ccc(O)cc3)n2CCc2ccccc2)c1 589642418 NUOLSKQSHUELAJ-VWLOTQADSA-N 435.531 5.107 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CSc2ccc3c(c2)CCC3)cc1 604003457 BREXGUSPJWHZCG-UHFFFAOYSA-N 428.557 5.551 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCC[C@@H]3C(=O)Nc4ccccc43)cc2Cl)cc1 604088266 PNBVPPGARJRERZ-IBGZPJMESA-N 446.894 5.251 30 20 IKED CC[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C1CCCCC1 608797516 XVYOWNHTRGLREI-GGAORHGYSA-N 437.971 5.409 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)cc1 608843239 LAMAFHWBLFURPV-CLJLJLNGSA-N 443.522 5.329 30 20 IKED CC[C@@H](C)c1ccc([C@@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C(C)C)cc1 608996704 FKZNSPIMGYNCMR-CLOONOSVSA-N 433.600 5.132 30 20 IKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N[C@H](C#N)c3ccc(F)cc3)cc12 609043983 NTLCVEBFJKHJFA-LJQANCHMSA-N 438.915 5.242 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccccc4Cl)C3)cn2)cc1 609147533 BZROJBYCVKLMRO-NRFANRHFSA-N 434.883 5.004 30 20 IKED Cc1ccc(NC(=O)[C@@H](C)Nc2ccccc2SC[C@H](C)C#N)c(Br)c1 609387015 FTCRWUICKDRRCH-HUUCEWRRSA-N 432.387 5.448 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2OCCc3ccccc32)cc1Cl 609601360 KGNULSAUTJOKKX-LADGPHEKSA-N 431.923 5.431 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2ccc(F)cc2)CC2CC2)cc1 609683231 MHALBODLLMJXMV-UHFFFAOYSA-N 443.522 5.915 30 20 IKED N#CCn1c(C(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)cc2ccccc21 611075873 RWDVXMHNYCTYRP-IBGZPJMESA-N 445.567 5.081 30 20 IKED CN(C(=O)c1cc2ccccc2n1CC#N)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 611973466 GKHKUORVLBZBPZ-SFHVURJKSA-N 439.359 5.559 30 20 IKED N#C[C@H](C(=O)c1ccc(C#Cc2ccccc2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 613289909 RLOLFVXBEJVTSX-OAQYLSRUSA-N 449.535 5.166 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618539991 KCGBVLPVFKXNLP-HUUCEWRRSA-N 446.416 5.743 30 20 IKED C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(Br)s3)n2Cc2cccs2)C1 619855121 TUGRHYDIUPQLPA-SFHVURJKSA-N 448.415 5.009 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1nc2cc(F)ccc2s1 671764213 RSELBCPJOLHTNH-HNNXBMFYSA-N 430.386 5.130 30 20 IKED N#C[C@@H](C(=O)c1cccc(CN2CCCC2)c1)c1nc2cc(C(F)(F)F)ccc2s1 672581918 UDIHNZVKKOCIAD-KRWDZBQOSA-N 429.467 5.401 30 20 IKED N#C[C@@H](C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1)c1nc2cc(F)ccc2s1 678572149 DOQHDJMTCOXIQY-ZDUSSCGKSA-N 445.397 5.415 30 20 IKED CC(C)(NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1ccc(Cl)c(Cl)c1 725799198 JIANWYSZBZPJOD-HNNXBMFYSA-N 425.319 5.055 30 20 IKED CC(C)N(Cc1cc(Br)ccc1F)C(=S)Nc1ccc(C#N)c(Cl)c1 726484414 LOXSETUYJOLFRP-UHFFFAOYSA-N 440.769 5.721 30 20 IKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc(F)c(F)c2)[n+]2ccccc2)cc1Cl 726571289 QVAWUUOGECJNJG-UHFFFAOYSA-O 428.871 5.101 30 20 IKED O=C(COc1ccc(C(=O)/C=C\c2nc(-c3ccccc3)cs2)cc1)Nc1ccccc1 727974140 GKQRBLVGOLFDKT-NXVVXOECSA-N 440.524 5.724 30 20 IKED N#C[C@@H](C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1nc(-c2c(F)cccc2F)cs1 728769247 ROVIZJSQTBWYMH-UONOGXRCSA-N 436.405 6.001 30 20 IKED C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(-c2ccco2)nn(CN(CCC#N)CC2CC2)c1=S 728904457 GJZFQFJSFKUCRP-BTHPGYMESA-N 425.602 5.254 30 20 IKED Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1cccnc1C 730959198 OYZXFCHJVFXTMW-OAQYLSRUSA-N 432.505 5.225 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 731267872 ILMTWJURMMPYBR-WTNAPCKOSA-N 444.556 5.377 30 20 IKED Cc1cc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c(C)n1[C@@H](C)c1ccccc1 731645789 SOMAJHONWXSECB-KSFYIVLOSA-N 425.454 5.728 30 20 IKED CC(C)n1cc(/C=C2/CCc3nc(-c4ccccc4Br)sc3C2=O)cn1 732714333 QAJDZHYIRKDZNK-ZROIWOOFSA-N 428.355 5.563 30 20 IKED C#CCN(C(=O)Nc1cccc([C@H](C)OC)c1)[C@@H]1CCOc2ccc(Br)cc21 733632027 NPYFHDVITAKFDP-MGPUTAFESA-N 443.341 5.147 30 20 IKED C#CCN(C(=O)N[C@H](C)c1ccc(C)s1)[C@@H]1CCOc2ccc(Br)cc21 733644662 DKGNIBBHDYWUQA-RHSMWYFYSA-N 433.371 5.049 30 20 IKED CC[C@H](C#N)Oc1cccc(CNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)c1 733800462 UAEADBLGERJHJM-JOCHJYFZSA-N 430.508 5.333 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Oc2cccc(NC(=O)c3cccs3)c2)cc1OC 734116765 LDVDKOIUROGWLA-BENRWUELSA-N 435.501 5.193 30 20 IKED Cc1ccc(C(=O)OCc2cc(Cl)ccc2OCC#N)cc1NC(=O)c1ccccc1 735342741 GADMECLPGMSQIW-UHFFFAOYSA-N 434.879 5.160 30 20 IKED Cc1nc(/C=C\c2nccc3ccccc23)sc1C(=O)/C=C\c1nccc2ccccc12 740764987 MJRAOVFXCKBJLO-MIMPSMLTSA-N 433.536 6.614 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](CCO)c2cccs2)cc1Cl 741061332 SLWSOYBDVJQPMS-QUCCMNQESA-N 425.941 5.302 30 20 IKED CSc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1F 741846793 IGFMQJBSPYFKKR-TWGQIWQCSA-N 430.501 5.724 30 20 IKED CC(C)c1nc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nn1-c1ccccc1F 741904314 XAZCUQVXVGTTFG-OAQYLSRUSA-N 439.494 5.438 30 20 IKED CCc1ccc(N2C(=S)N[C@H](c3ccc(C#N)o3)C(C(=O)Nc3ccccc3)=C2C)cc1 743742077 IHBUYPWXFZMLKN-HSZRJFAPSA-N 442.544 5.062 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCN(c4ccc(C(C)C)cc4)C3=O)n2)cc1 744030778 HAVAAFUYQFCIKL-FCHUYYIVSA-N 443.572 5.471 30 20 IKED CC(C)c1nn(C)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc12 744031467 XSPXOAFOKSBOAB-GFCCVEGCSA-N 435.336 5.026 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)C[C@H](Cc3ccccc3)c3ccccc3)n2)cc1 744063204 ZCOLRVAJKSYHBB-LOSJGSFVSA-N 447.563 6.275 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@H](OC(=O)/C=C/c1ccccc1C#N)C(F)(F)F 747773037 KXPDBUFQBSUIBI-GNNUASRNSA-N 425.410 5.221 30 20 IKED N#C[C@H](C(=O)CCCOc1ccccc1Cl)C(=O)Nc1cc(Cl)cc(Cl)c1 748003689 GYTOPCYDAFOMDF-OAHLLOKOSA-N 425.699 5.153 30 20 IKED N#Cc1csc(/C=C2/CN(Cc3ccccc3)C/C(=C\c3cc(C#N)cs3)C2=O)c1 748438649 ALFKXZWVTWQEPW-FCRXMADNSA-N 427.554 5.105 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1 750597424 OHMDAMVJZQKFDJ-AOCRQIFASA-N 446.617 5.380 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nc(Cc2ccccc2)no1 752637991 VKQAZRGDJKAVBI-WZONZLPQSA-N 437.503 5.199 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 752695380 UNAGMSGQDHZJPT-RXVVDRJESA-N 438.503 5.476 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCCc2csc3ccccc23)cc1Cl 756229572 AYKNHAVLQKNPQS-QGZVFWFLSA-N 426.925 5.234 30 20 IKED CC(=O)N(c1nc(COC(=O)c2ccc(CC#N)cc2)cs1)c1c(C)cc(C)cc1C 758698886 RXJRQTSMKYNWSN-UHFFFAOYSA-N 433.533 5.176 30 20 IKED C=CCC(CC=C)C(=O)OCc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1 759007502 NQOZCPITSUMAPN-UHFFFAOYSA-N 439.364 5.946 30 20 IKED N#C[C@@H](C(=O)CCc1cc(Br)ccc1F)c1nc(-c2ccccc2)cs1 759216739 FQXGCFVWBDOJEM-INIZCTEOSA-N 429.314 5.521 30 20 IKED N#C[C@H](C(=O)/C=C\SCc1ccco1)c1nc(-c2ccc(Cl)cc2Cl)cs1 759835801 VRZRBDHWCSEUJB-ZQMJAJRESA-N 435.357 6.333 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 760802046 ZBFRTNLMHLALEQ-NRFANRHFSA-N 445.277 5.794 30 20 IKED CCCN(C(=O)Nc1ccc(F)cc1OCC#N)[C@@H](C)c1ccccc1Br 761665709 UDYZKLJGKLNJKT-AWEZNQCLSA-N 434.309 5.496 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 767837908 MEVJJLKPZBDRST-QGZVFWFLSA-N 440.475 5.190 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC2(c3ccc(Cl)cc3)CCC2)cc1 773756460 IPQNBQHAPFQHBK-QHCPKHFHSA-N 443.934 5.130 30 20 IKED C=CCCC(=O)Nc1ccc(COC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 774581107 XXIDWVBAHPWLFR-UHFFFAOYSA-N 427.460 5.007 30 20 IKED N#CCOc1cccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1 779588295 KAEOIUIVWRJURG-UHFFFAOYSA-N 428.242 5.132 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cn(-c2ccccc2Br)nn1 789718016 DHSOOMVJWFSOOV-UHFFFAOYSA-N 425.330 5.134 30 20 IKED C[C@@H](c1ccccn1)N(C(=O)c1cc(-c2cccc(C#N)c2)no1)c1ccc(N(C)C)cc1 790967666 GZMUJTSPPLDEHS-SFHVURJKSA-N 437.503 5.082 30 20 IKED COc1ccccc1-c1ncc(/C=C2/CCc3nc(-c4ccccc4F)sc3C2=O)cn1 792885094 SQELGNFIBCCUJD-VBKFSLOCSA-N 443.503 5.627 30 20 IKED CN(C)c1ccc([C@H](CNC(=O)c2cc(C#N)ccc2Cl)c2c[nH]c3ccccc23)cc1 794777511 IJRQTXNQAQPREQ-QFIPXVFZSA-N 442.950 5.321 30 20 IKED C=CC[C@@H](OC(=O)c1cccc(-c2nnc(CCOC)o2)c1)c1ccc(Cl)c(Cl)c1 797554289 RXUJZQCPMRYGOG-LJQANCHMSA-N 447.318 5.707 30 20 IKED O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)[C@@H](F)c1ccc(C(F)(F)F)cc1 801659812 SMQSIDMKETVRGF-INIZCTEOSA-N 431.311 5.559 30 20 IKED N#CC1(c2ccc(C(=O)N3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)cc2)CC1 814239458 IYKIRLKSNMOIRD-UHFFFAOYSA-N 436.555 5.030 30 20 IKED N#C[C@@H](C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1nc2ccccc2s1 915098585 YNPXYEYZSIDXPA-WMLDXEAASA-N 444.343 5.084 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CC2CCC2)cc1F 915112070 UQIMETVJUKVLSW-HXUWFJFHSA-N 443.519 5.034 30 20 IKED COc1ccc2cc(C=Nn3c(S)nnc3-c3ccccc3Br)ccc2c1 916345927 IVFKKTIJZMPTGT-UHFFFAOYSA-N 439.338 5.040 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(OCc2ccccc2)cc1 916928765 SYCSRBMJDNKAQS-LJQANCHMSA-N 439.298 5.534 30 20 IKED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2oc3c(ccc4ccccc43)c2C)cc1 916938197 IDBCKOYPYPZJOK-OAQYLSRUSA-N 440.455 5.032 30 20 IKED Cc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cs2)cc1 916945706 YLRVFUKRZCYTDD-INIZCTEOSA-N 430.316 5.387 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)cc1 916951234 XYKNDXMMLKAQCC-UPCLLVRISA-N 446.526 5.032 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1ccc(F)cc1F)c1nc2cc(C(F)(F)F)ccc2s1 917043511 KWLAWCYJUMLFNY-ZDUSSCGKSA-N 438.377 5.433 30 20 IKED C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917046447 KBNCTPWCTPEZIG-CABZTGNLSA-N 425.724 5.900 30 20 IKED N#C[C@H](C(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1)c1nc2ccccc2o1 917510130 PQRAHGYHFZLVCT-GCJKJVERSA-N 447.288 5.587 30 20 IKED CC(C)c1cccc(N=C2NC(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)S2)c1 917635013 GIWZLBDHZSHABH-MRXNPFEDSA-N 436.364 5.365 30 20 IKED N#CCOc1ccccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 920111767 ZDXFGRVPYWFRLH-HNNXBMFYSA-N 428.300 5.509 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3ccc4cc(OC)ccc4c3)n2)cc1 920139392 SUPVSDFWUHFTQK-YEESQDLQSA-N 440.524 5.870 30 20 IKED CC(C)Cc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 920143542 XOBWIMVPKYYACP-QFIPXVFZSA-N 441.556 5.720 30 20 IKED N#C[C@@H](C(=O)CCc1ccccc1Br)c1nc(-c2c(F)cccc2F)cs1 920806903 SFQVVAXOFDZUKP-ZDUSSCGKSA-N 447.304 5.660 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2cc(F)cc3cccnc23)cc1C 920892845 REPRTFICQKIQKY-UHFFFAOYSA-N 428.467 5.125 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)CCc3ccc(C)s3)cc2)CCC1 1786831163 MXHBADGGXCNFHR-UHFFFAOYSA-N 440.609 5.106 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)c(F)c(Cl)c1)C2 1798339782 FLXUCKNSBSCHKJ-YVSFHVDLSA-N 439.358 5.153 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3ncccc3c2)[nH]n1 1814443525 YVYFFZCXTAWPKZ-JOCHJYFZSA-N 445.567 5.256 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccccc3o2)CC1 1829066392 FJBSOIUKCQVRHF-QFIPXVFZSA-N 436.596 5.659 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)c(O)c(C)c2)CC1 1832578579 DGDCTJCDTGVNDY-RPWUZVMVSA-N 438.612 5.011 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2ccccc2CC)cc1 10173801 AMIYZVKEEINNFV-UHFFFAOYSA-O 439.988 5.640 30 20 IKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2ccccc2)c(Cl)c1 15248213 PBXNIRBOGWUCCW-UHFFFAOYSA-O 430.380 5.949 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)c1cc(C)n(Cc2ccco2)c1C 20328436 PAMXFZOPKWNIBP-UHFFFAOYSA-N 446.576 5.090 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 22715367 GPOACZGFUUHIAV-LSDHHAIUSA-N 444.963 5.282 30 20 IKED C=CCn1c(SCC(=O)N2[C@H](C)CCC[C@H]2C)nnc1-c1ccc(Cl)cc1Cl 22879668 PXSDWKCBMZSMHR-ZIAGYGMSSA-N 439.412 5.320 30 20 IKED C[C@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)N(CCC#N)c1ccc(F)cc1 23499847 VKBHZGCPTMQVHJ-AWEZNQCLSA-N 444.582 5.230 30 20 IKED CCc1ccccc1N(C(C)=O)c1nc(CSc2nc3c(c(C)c2C#N)CCC3)cs1 24851713 CIUUIUFWEWJUTB-UHFFFAOYSA-N 448.617 5.746 30 20 IKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(CN4CCCC4=O)cc3)c2C#N)C1 60924670 YQJUYENSWADWCI-SFHVURJKSA-N 435.593 5.145 30 20 IKED COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)O[C@H](C)C#N)cc1OC 207129057 DDUQOBYGUKGRIF-OKSBFYSISA-N 428.488 5.198 30 20 IKED CC(C)[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1nc(-c2ccncc2)no1 236802284 DXRQVXZPFVSFTC-DEOSSOPVSA-N 439.519 5.069 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)s2)cc1 255949624 NJWZIMKATMXRSX-UHFFFAOYSA-N 445.573 5.314 30 20 IKED CCc1c(C)sc2nc(S[C@@H](C)c3ccc(C#N)cc3)n(C[C@H]3CCCO3)c(=O)c12 303680194 IVAYVFLUFUVQGX-KBXCAEBGSA-N 439.606 5.233 30 20 IKED N#CC1(CCCN2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)CCOCC1 410314687 NRNVDGUPLVOZTN-UHFFFAOYSA-N 444.044 5.287 30 20 IKED CC[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 429373130 PYXXQJYAKWQSBG-QFIPXVFZSA-N 429.520 5.464 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COc2ccc(C#N)c(C)c2)cs1 434649933 GAJIETQSWLUVQO-UHFFFAOYSA-N 431.439 5.606 30 20 IKED C=CCC[C@H](NC(=O)N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1 435100744 JQQDGMFZDAXTQF-LOSJGSFVSA-N 448.588 5.186 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C3(OCc4ccccc4)CCOCC3)c2)cc1 435363739 OCTCEQPQXRLCJY-UHFFFAOYSA-N 428.488 5.055 30 20 IKED CC(C)(CO)[C@H](CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccccc1 438194895 ZFYRVPYDKJBCJH-RUZDIDTESA-N 428.532 5.077 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(CCC(F)(F)F)CC1CC1 438597956 OOXOQNKSUKPUQE-UHFFFAOYSA-N 431.458 5.642 30 20 IKED CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 438659153 YROGOBZLBHOGSF-UHFFFAOYSA-N 445.420 5.203 30 20 IKED COCCCn1c(SCc2ccc(C#N)cc2Cl)nnc1-c1ccccc1Cl 438814100 VKQMMDDYYJYIHV-UHFFFAOYSA-N 433.364 5.452 30 20 IKED CCCc1c(NC(=O)[C@@H](OC2CCCC2)c2ccccc2)cnn1-c1cccc(C#N)c1 440079227 WZSDTMYCZUFJOH-VWLOTQADSA-N 428.536 5.335 30 20 IKED C=CCC[C@H](NC(=O)N[C@@H](c1nc(C2CC2)no1)C(C)C)c1ccc(C(F)(F)F)cc1 441523236 ZBPRYPKWOTZCSI-ZWKOTPCHSA-N 436.478 5.670 30 20 IKED C=CCn1c(SCc2coc(-c3c(F)cccc3F)n2)nnc1-c1ccccc1OC 443450193 DMOKIQBRAMSGLZ-UHFFFAOYSA-N 440.475 5.365 30 20 IKED O=C(NCc1nc(C(F)(F)F)cs1)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F 446358658 ARAROZGFUSWYPV-NSHDSACASA-N 435.752 5.057 30 20 IKED C=C(C)Cn1c(CSc2ccccc2OC)nnc1N(Cc1ccc(C#N)cc1)C1CC1 460777913 OCYHGKWQZHTBGH-UHFFFAOYSA-N 445.592 5.196 30 20 IKED CN(C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[C@H]1CCCC[C@H]1C(F)(F)F 463506227 IKLYNRBKEZUIFY-UXHICEINSA-N 444.457 5.395 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)c12 464413092 BDISYRQDHGWHJT-CQSZACIVSA-N 440.381 5.339 30 20 IKED CN(C)[C@@H]1CCOc2c(NC(=O)c3ccccc3Sc3ccccc3C#N)cccc21 469238582 IVGSEWYJDOQTIT-OAQYLSRUSA-N 429.545 5.347 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(Oc3cccc(Br)c3)nc2)n1 474420249 DPHOTLGCKAITGF-INIZCTEOSA-N 442.338 5.706 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCC1(c2ccc(OCC)cc2)CCOCC1 475563401 BQWVBAYAUFKHOT-UHFFFAOYSA-N 436.596 5.807 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCCN(c2cc(OC)cc(OC)c2)CC1 475582209 JHQKJNXSHZTMMV-UHFFFAOYSA-N 437.584 5.300 30 20 IKED C[C@@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1nc(-c2ccccc2)cs1 477428021 DWYDJKBRKAPOQA-MDMXATFFSA-N 446.576 5.432 30 20 IKED CCCCn1ccnc1-c1cccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 477975067 KJWKYJXZAZRKTH-UHFFFAOYSA-N 443.551 5.297 30 20 IKED CN(C)C(=O)Nc1ccc(CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 478553828 URLZMEMGJBTTFR-UHFFFAOYSA-N 448.910 5.027 30 20 IKED C=C(C)Cn1c(SCc2csc(-c3ccc(OCC)cc3)n2)nnc1-c1ccncc1 481349480 RRKYRWVFHBRUMM-UHFFFAOYSA-N 449.605 5.731 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCCOc3c(F)cccc32)cc1 481988579 MCCILAIYQQOTPQ-QFIPXVFZSA-N 432.520 5.633 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2ccc3ncsc3c2)cc1C 485641488 GDBCOOAVFARWCI-KRWDZBQOSA-N 429.549 5.181 30 20 IKED CN(C(=O)c1cccc(NC(=O)Nc2cccc(OCCCC#N)c2)c1)c1ccccc1 502630474 ABNNXTOWQVIPCK-UHFFFAOYSA-N 428.492 5.290 30 20 IKED O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)N[C@H](c1ccc(F)cc1)C(F)(F)F 504874937 GEDHTBJSUYQPHH-MRXNPFEDSA-N 435.343 5.129 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2C)cc1 505686332 NXFIJWAVZFJBJJ-UHFFFAOYSA-N 442.450 5.245 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1c(F)cccc1F)C(F)(F)F 506292466 MTYFZPKBLGHUNN-HXPMCKFVSA-N 443.441 5.191 30 20 IKED CCC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1nnc2ccccn12 506310859 ZNPKTQFUPZVFLR-JOCHJYFZSA-N 440.507 5.365 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1cccc(OC(C)(C)C)n1 506821605 NMXPIDHTXIZDPA-UHFFFAOYSA-N 428.533 5.047 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1Cl 510024212 SUTNXYZCPGSGDS-QHCPKHFHSA-N 448.929 5.489 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1cc(C)cc2cccnc12)c1ccc(C(F)(F)F)cc1 511188132 CNBSQTRJFPVFMI-LJQANCHMSA-N 441.453 5.324 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)N[C@@H]3CCCc4nc(-c5ccc(F)cc5)sc43)CC2)c1 511387324 YGTWYOQKGXXESG-HXUWFJFHSA-N 435.499 5.185 30 20 IKED Cc1ccc(-c2nc(CSCC(=O)Nc3ccccc3SC[C@@H](C)C#N)cs2)o1 517460915 FMGYKIPYSTVVGS-AWEZNQCLSA-N 443.619 5.835 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H]3CCN(c4ccc(F)cc4)C3)cc2)c1 517530402 ONSAITZGPUPKGX-LJQANCHMSA-N 430.483 5.138 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 522074684 WOQDGVHWFMQKDW-UHFFFAOYSA-N 435.858 5.325 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3nc(-c4ccc(Cl)cc4)no3)cc2)c1 522463894 GUJLAVSVPHDVRY-UHFFFAOYSA-N 445.866 5.376 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1occc1COc1cccc(C#N)c1 522573664 HLVMDDGMOWQYSM-INIZCTEOSA-N 443.528 5.653 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(-c3cncnc3)cc2)c1 522736915 WJAXHKAUPRHLJD-UHFFFAOYSA-N 426.863 5.713 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN(Cc4cccnc4)C3)cc2Cl)cc1 522830428 OSODNBOKKGOKCR-HXUWFJFHSA-N 446.938 5.250 30 20 IKED CC[C@H](c1ccncc1)N(CC)C(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 524608980 BLFDMPPOAOQUBH-RUZDIDTESA-N 441.531 5.273 30 20 IKED CC(C)CC(=O)Nc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1F 525133420 KOUXMWNTJVRQMX-UHFFFAOYSA-N 427.545 5.655 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2cccc(N3CCCNC3=O)c2)cc1Cl 534151298 PJBFQBNIDQVVKH-UHFFFAOYSA-N 446.894 5.176 30 20 IKED COc1ccccc1[C@@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccccn1 534838213 DCXGNIYZCGCKSU-HHHXNRCGSA-N 449.510 5.060 30 20 IKED C=CCC[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(C(F)(F)F)cc1 537128933 ZRHLVOGPKNGVFW-SFHVURJKSA-N 432.402 5.461 30 20 IKED C[C@H](NC(=O)N[C@H](C)c1ccc([S@](C)=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 542077119 CUGPQUVBJFRLGN-MRRBFIHVSA-N 431.561 5.084 30 20 IKED Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 542299669 HWFCQHDYRLWIFK-UHFFFAOYSA-N 437.459 5.234 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(c3ccc(C)nc3)CC2)cc1 543966132 XINYDNJDABCBKN-UHFFFAOYSA-N 442.519 5.474 30 20 IKED O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N[C@H](c1cccc(F)c1F)C(F)(F)F 544058153 VYQOWEQTEVRCLP-LJQANCHMSA-N 446.322 5.250 30 20 IKED Cc1nn(CCC#N)c(C)c1CCc1nc(-c2ccc(OC(C)C)cc2C(F)(F)F)no1 545084592 YCEHDSQHYDNKKN-UHFFFAOYSA-N 447.461 5.055 30 20 IKED N#CCCN(C(=O)CCc1nc(CCc2c(Cl)cccc2Cl)no1)c1ccccc1 545088736 FJMPYBWYKCPJGE-UHFFFAOYSA-N 443.334 5.041 30 20 IKED CCC(CC)(C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(OC)c(OC)c1 545364614 LWMPXKGNZBVGEL-KRWDZBQOSA-N 426.582 5.652 30 20 IKED C=C(C)Cn1c(SCc2nc(-c3ccccc3C(F)(F)F)no2)nnc1-c1ccco1 546956030 SINIBFHNQLWKIV-UHFFFAOYSA-N 447.442 5.475 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 548828185 WCJRCQRZTYFAGL-WOJBJXKFSA-N 442.485 5.003 30 20 IKED C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 549654678 BSWHBPPGKMSTIQ-FQEVSTJZSA-N 445.611 5.052 30 20 IKED N#Cc1cccc(-c2nnc(N3CC[C@H](c4ccc(Cl)cc4)C3)n2C[C@H]2CCCCO2)c1 549672079 MYBGAWLYWMLFIN-JTHBVZDNSA-N 447.970 5.033 30 20 IKED N#CCCC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1)c1ccccc1 551596383 SBHINHAWIZFNMZ-OAQYLSRUSA-N 448.910 5.017 30 20 IKED COc1ccc(CNC(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F 551619359 HCVGINJLOSWRLG-UHFFFAOYSA-N 438.343 5.214 30 20 IKED N#CCCN(C(=O)COc1ccc2ccccc2c1Br)c1ccc(F)cc1 556564384 CKIREAQHXULVIE-UHFFFAOYSA-N 427.273 5.067 30 20 IKED C[C@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 565513560 JYVNISBEZYRQSD-AWEZNQCLSA-N 426.398 5.203 30 20 IKED CC[C@](C)(NC(=O)c1ccccc1)c1noc(/C=C/c2cn(CCC#N)c3ccccc23)n1 571721784 JQSULCJNKXRUIL-BOMYWPOKSA-N 439.519 5.164 30 20 IKED N#Cc1cc(Oc2ccc(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)cc2)ccn1 583054393 NUTOIDHNNDJXQL-UHFFFAOYSA-N 429.461 5.389 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccccc1 590104429 ZGOKMLMQNGTSHQ-IBGZPJMESA-N 444.457 5.611 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1 592973738 JTOYTRJRGKCROF-LJQANCHMSA-N 443.528 6.089 30 20 IKED C=CCOc1ccc(/C=C\c2nc(-c3cccnc3Oc3ccccc3)no2)cc1OC 598775080 SRCCPTFHZJHAPJ-OWBHPGMISA-N 427.460 5.668 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1oc2ccccc2c1COc1ccccc1 603530159 LJCGJIQOLRLJFS-UHFFFAOYSA-N 440.499 5.172 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3nc(-c4ccncc4)no3)cc2Cl)cc1 604027268 SELLVNCXVPQTEK-UHFFFAOYSA-N 445.866 5.020 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)cn2)cc1 604517549 RVLMWJXHFNXFFG-UHFFFAOYSA-N 443.444 5.030 30 20 IKED C[C@H](CC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F 607477575 XZHYACJCKVODEK-IJLUTSLNSA-N 435.330 5.788 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C[C@H](C)NC(=O)C1CCCCC1 608936032 OEGRPXOYSAFFNQ-IBGZPJMESA-N 435.543 5.014 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)o2)cc1 609060250 XOWBXCJMMVXXGB-UHFFFAOYSA-N 435.439 5.647 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)Cc3coc(-c4ccc(Cl)cc4)n3)cn2)c1 609163777 QOYTXJTYBZCWHA-UHFFFAOYSA-N 430.851 5.235 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 609403094 SAMMAQZGMWPLFJ-YCRPNKLZSA-N 442.009 6.564 30 20 IKED N#Cc1cccc(OCCCCC(=O)N[C@H]2CCOc3c(-c4ccccc4)cccc32)c1 609503316 NVHQXUOPFWXMFW-VWLOTQADSA-N 426.516 5.414 30 20 IKED Cc1c(Br)cccc1NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 609554516 UMGYSCNNAUKCCT-UHFFFAOYSA-N 428.330 5.141 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@H]3OCCc4ccccc43)cc2Cl)c1 609601986 CMVISHKFBVJNIE-XMMPIXPASA-N 447.922 5.226 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1 609663511 FGCBSTOUUYTGCX-UHFFFAOYSA-N 448.841 5.123 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)c3ccn(-c4cccc(C(F)(F)F)c4)n3)n2)cc1 609965641 CVLPIORFZWBKHX-UHFFFAOYSA-N 439.422 5.139 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CSc2ccc3c4c(cccc24)CC3)c1C 610054284 IRHVWNUNBCIZNS-UHFFFAOYSA-N 438.556 5.343 30 20 IKED C[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)C[C@H](c2ccc(F)cc2)O1 610205611 OOPVQJKLMONPJF-HTAPYJJXSA-N 432.520 5.451 30 20 IKED N#C[C@H](C(=O)c1ccc(OCC(F)(F)F)nc1)c1nc2cc(C(F)(F)F)ccc2s1 613403824 GLSPSVVTFKWRBT-LLVKDONJSA-N 445.344 5.141 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)N[C@H]3CCc4cc(C#N)ccc43)s2)cc1 618847593 JATRWUDSQWQINR-JTSKRJEESA-N 430.577 5.689 30 20 IKED Cc1cc(NC(=O)N2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c(F)cc1Br 672873313 XDPGVVHLUUZYHS-OCAPTIKFSA-N 437.153 5.101 30 20 IKED CC(C)(CNC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(Cl)c1F 681095198 NHGKKNCDGLJAJZ-QWRGUYRKSA-N 448.810 5.529 30 20 IKED FC(F)(F)c1cnc2c(c1)[C@H](NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)CCC2 681740431 VRJPGZGFTSAUON-AMJWSMQMSA-N 434.346 5.977 30 20 IKED N#CCSc1ccccc1C(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 726540996 VEQRORQHZKNHHV-INIZCTEOSA-N 438.940 5.025 30 20 IKED Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)no1 728121511 IBAKMWRUKFAGSR-NRFANRHFSA-N 436.899 5.456 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 728147347 FDEMEMNMTAPNGE-HSZRJFAPSA-N 441.487 5.034 30 20 IKED N#Cc1cc(F)ccc1CSC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1 728441979 YFQYAIXEBNVXOL-UUYOSTAYSA-N 431.467 5.514 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 729403928 OASBQTSDPUAOJA-UHFFFAOYSA-N 443.503 5.737 30 20 IKED CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 730376874 LMPYWTZRLDLXSH-UHFFFAOYSA-N 446.478 5.410 30 20 IKED N#C[C@@H](C(=O)Cc1cccc(OCc2cccc(Cl)c2)c1)c1nc2ccccc2s1 730395228 QPWMNWYILHIILP-FQEVSTJZSA-N 432.932 5.948 30 20 IKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(C2CCC2)C1=O)Nc1ccccc1F 730460060 TYJJKNRCWRQCTF-QFIPXVFZSA-N 447.535 5.492 30 20 IKED O=C(/C=C/c1ccc(OCc2occc2C(=O)O)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 730951420 NASJJVVNFXMNFX-FPYGCLRLSA-N 427.796 5.015 30 20 IKED C#CCOc1cccc(NC(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)c1 730979248 DWVXRNHKXFOYJW-HNNXBMFYSA-N 426.925 5.267 30 20 IKED CCCOc1nc2ccccc2cc1/C=C/C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1 731768793 QZMCKWDPFFNMKC-ACGJQVIASA-N 433.895 5.038 30 20 IKED COc1cc(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)ccc1OC(C)C 731971818 PCFAIFCSDPTTDA-UHFFFAOYSA-N 430.504 5.271 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1OC 732596149 LJWZGELECYKUMZ-GOSISDBHSA-N 434.536 5.014 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)ccc1OC 733618000 QFANTSYZIYOGRZ-NRFANRHFSA-N 427.504 5.269 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)NC(Cc2ccccc2)Cc2ccccc2)c1 733801343 GIOVZIQPABFBQT-VWLOTQADSA-N 427.548 5.021 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)OCc2nccn2CC(F)(F)F)c1 735165332 HPTLMEKRZUMXDC-UHFFFAOYSA-N 435.789 5.120 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)C[C@H](C)c2cccc(C(F)(F)F)c2)cc1Cl 739153825 FITJIUMNUXQNSB-LRDDRELGSA-N 438.833 5.209 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C\C(=O)c1cccc(N2CCOC2=O)c1 740765103 PTEJYTUBPOZYTD-KHPPLWFESA-N 435.911 5.054 30 20 IKED Cc1ncsc1/C=C1/CN(Cc2ccccc2Cl)C/C(=C/c2scnc2C)C1=O 742435097 SCYUHAREESZXLD-MZAUSLISSA-N 442.009 5.422 30 20 IKED CN1/C(=C\C(=O)CSc2nnc(CCCc3ccccc3)o2)C(C)(C)c2ccccc21 742460264 CGFBPJZGVOJRSK-JWGURIENSA-N 433.577 5.218 30 20 IKED C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1C(F)(F)F 744035620 SBKGQSGISMJILY-WBMJQRKESA-N 434.870 6.462 30 20 IKED CC/C(=C\C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(Cl)c1 745757724 IIYYKLZLPLSFGH-QRYYFKOISA-N 442.968 5.567 30 20 IKED C[C@@H](CCOc1ccccc1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 745948219 WSYHTKWADOSXAD-SIKLNZKXSA-N 428.488 5.231 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2csc(-c3ccc(O)cc3)n2)cc1 746017878 NPUNSLIYNYHKPH-UHFFFAOYSA-N 441.512 5.413 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(C3SCCS3)cc2)c1C#N 746951691 WPRRFAUIKWXJMG-UHFFFAOYSA-N 438.603 5.197 30 20 IKED Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2SCCCC(C)(C)C#N)cc1 747807187 OQOBRZHGTSWRGO-DEDYPNTBSA-N 447.560 5.531 30 20 IKED COc1ccc(-c2cc3[nH]c(/C(Cl)=C/c4ccc(C#N)s4)nc(=O)c3s2)cc1 748997293 DDMSKZBPVIPEQR-NVNXTCNLSA-N 425.922 5.330 30 20 IKED N#Cc1ccccc1N1CCC(NC(=O)/C(=C\c2ccc(F)cc2)c2cccs2)CC1 750046371 ZYAHVIOUVSCQFK-JWGURIENSA-N 431.536 5.085 30 20 IKED COc1ccc2oc(C)c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)c2c1 750842448 ROVIKFYQJLTOOC-UHFFFAOYSA-N 428.444 5.675 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2sc(-c3ccccc3)nc2C)ccc1OC 752903714 IBZJLUFFUZVXLF-GOSISDBHSA-N 436.537 5.130 30 20 IKED CCN(CC)c1ccc2cc(C(=O)/C=C/c3cnc(-c4ccccn4)s3)c(=O)oc2c1 753140353 ASFSEGIMLCTLCZ-ZHACJKMWSA-N 431.517 5.054 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(OC)c(-c3ccccn3)c2)cc1 754822253 LTRCMYLDBZTCDG-HTAPYJJXSA-N 427.504 5.232 30 20 IKED CC1(C)C(=O)Nc2ccc(C(=O)/C=C/c3cn(Cc4ccccc4)nc3-c3cccnc3)cc21 759118807 DNYWYJSAJYNHTC-ACCUITESSA-N 448.526 5.119 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@H]2c2ccc(C(C)C)cc2)ccc1OC 759434493 BIOIXMPXQHQRIX-DHIUTWEWSA-N 435.568 5.546 30 20 IKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cc(Cl)ccc2Sc2ccccc2)n1 759637336 JRPWPHZAHZFELJ-KRWDZBQOSA-N 442.949 5.289 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1 762024243 ILDHNFKHJINMCJ-IBGZPJMESA-N 429.863 5.274 30 20 IKED N#C[C@H](C(=O)CCc1cc2ccccc2nc1O)c1nc(-c2ccc(Cl)cc2)cs1 767431843 JXSCFKACZWOCQW-GOSISDBHSA-N 433.920 5.526 30 20 IKED N#C[C@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)C(=O)Nc1ccccc1Cl 769945476 LLBWRCBCHFVOPP-OZYJXZHSSA-N 427.209 5.287 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2sc(Cc3ccccc3)nc2C)ccc1OC 772986635 PSSIKTYDYZBHOT-UTKZUKDTSA-N 435.593 5.583 30 20 IKED N#Cc1ccccc1/C=C\C(=O)OCc1csc(-c2ccc(Br)cc2)n1 775084657 QXEXCGRFZNUKAM-YFHOEESVSA-N 425.307 5.201 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)C(F)(F)F)CC2)cc1Cl 775517963 BTCKBVSFZVBGTL-GOSISDBHSA-N 449.860 5.371 30 20 IKED CC(C)(C)OC(=O)N1[C@H](C(=O)[C@H](C#N)c2nc3ccccc3s2)C[C@H]2CCCC[C@H]21 777292369 YXIPMKLZXRHYFN-ATLSCFEFSA-N 425.554 5.041 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@@H]3CCCN3C(=O)OC(C)(C)C)n2)cc1 777296004 IAIAWLFBKKBEEC-ROUUACIJSA-N 425.554 5.084 30 20 IKED C[C@H](OC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)c1ccccc1NC(=O)c1ccccc1 777315372 YHQYMYGZGHKXND-DFBJGRDBSA-N 439.515 5.084 30 20 IKED CO[C@@H](C)c1nc(COC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cs1 784428285 NQIPOXIDFXSKSW-ZDUSSCGKSA-N 428.897 5.525 30 20 IKED CC(C)OCc1ccc(C(=O)[C@@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 787053712 RJDDFJAJCQJBFN-AUUYWEPGSA-N 433.335 5.118 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl 790960500 ZRGNLUCWYVRZHR-UHFFFAOYSA-N 444.875 5.038 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(Cl)c2ncccc12 801442856 MFBVFLPZWPQEJC-AWEZNQCLSA-N 439.924 5.078 30 20 IKED O=C(/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1nc2ccccc2oc1=O)c1ccccc1 817342298 AWAGBEWJXWARBW-VBKFSLOCSA-N 432.819 5.173 30 20 IKED CC(C)(CNC(=O)c1ccccc1SCC#N)c1ccc(Br)cc1Cl 818302760 HQZXLSJFOJEOKZ-UHFFFAOYSA-N 437.790 5.426 30 20 IKED CCOc1c(Cl)cc(C=NOCC(=O)Nc2ccc(SC(F)F)cc2)cc1OC 826534780 JMYBEXDIJGLBMN-UHFFFAOYSA-N 444.887 5.051 30 20 IKED O=C(/C(=C\c1ccc(-n2cncn2)c(F)c1)c1ccccc1)c1nc2ccccc2s1 844248284 BMDZIDFPURONLY-PDGQHHTCSA-N 426.476 5.440 30 20 IKED CCN(Cc1nc(O)c2ccccc2n1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915353633 PUCUOJMSBMBBFC-JOCHJYFZSA-N 437.503 5.045 30 20 IKED N#C[C@@H](C(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)Nc1ccc(F)c(Cl)c1 916937766 GEOLUDAXFMCCBW-INIZCTEOSA-N 428.822 5.158 30 20 IKED COc1cc(C(C)=O)ccc1OCCCC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917046133 GBKGTSTUTZKDCJ-INIZCTEOSA-N 442.924 5.196 30 20 IKED N#C[C@H](C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)c1nc2cc(Cl)ccc2s1 917046997 OHJIARZXBXWWHX-CRAIPNDOSA-N 445.931 5.332 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2CCCc3cc(C(F)(F)F)ccc32)c1=S 917472108 OOYAQXULCOHOJK-UHFFFAOYSA-N 431.487 5.091 30 20 IKED Cc1cc(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(C)n1-c1ccc(F)cc1 918685541 LLJCFFKSELAJKX-KBPBESRZSA-N 436.371 5.436 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCSc1ccc(Br)cc1 920103858 FBMHERJBKQYOTJ-QGZVFWFLSA-N 441.350 5.313 30 20 IKED Cc1nn(-c2ccc(C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cc2)c(C)c1Cl 920105829 FZIQOOXPILBELJ-LJQANCHMSA-N 430.895 5.138 30 20 IKED N#C[C@@H](C(=O)CCSc1ccc(Br)cc1)c1nc(-c2ccncc2)cs1 920269766 YMAQUWWTUPPOFN-INIZCTEOSA-N 444.379 5.326 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCCOc1cccc(C#N)c1 920671206 MGBIOSHFBZOJMK-HNNXBMFYSA-N 442.924 5.111 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cccc(N2CCOC2=O)c1 921119695 UJTKVSBQLPVLTK-QGZVFWFLSA-N 442.475 5.190 30 20 IKED C=CCNC(=O)c1ccccc1NC(=O)c1oc2ccccc2c1CSc1cccs1 921275307 ATRDMPUDTYNKCD-UHFFFAOYSA-N 448.569 5.955 30 20 IKED CC(C)[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)c[nH]3)CCC2)cc1)c1ccccc1 1786181745 JTXWQFGDVJLNLL-DEOSSOPVSA-N 440.547 5.074 30 20 IKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H](C)c1ccccc1)C2)c1ccccc1 1798556329 KQFCUEOSFIFPEM-UAEBTNLVSA-N 442.603 5.016 30 20 IKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)c(Cl)c(Cl)c1)C2 1801642536 QVGRVMBNFXCBLO-REBRKWNGSA-N 429.775 5.111 30 20 IKED Cc1oc(C(C)(C)C)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@H](C)C#N)c1 1803673105 IDCRAFVTZUPYRV-ZINXYGQCSA-N 447.579 5.078 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc4cc(C)ccc4n3)CC2)C1 1805455278 TZFPLFJSWLCCGK-UHFFFAOYSA-N 445.607 5.156 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2C2CC2)[C@H]1c1cccnc1 1810177380 GDIMEHOLMSXXBH-ZEVJAHDQSA-N 443.591 5.047 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccccc2Cl)[nH]n1 1819305542 VUSWISKKUWFFLH-GHTZIAJQSA-N 440.975 5.066 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccccc2F)[nH]n1 1819557008 SUKGWLVQNJGBPC-OAQYLSRUSA-N 440.563 5.166 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(F)c2Cl)n[nH]1 1821121496 ZFRJWUCTXRUPFZ-BEFAXECRSA-N 444.938 5.277 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3cc[nH]c23)CC1 1824142305 NLAODZDYLKCTQC-XMMPIXPASA-N 433.596 5.170 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccccc3n2C)CC1 1824142575 YEJWJLKOPBINAA-VWLOTQADSA-N 447.623 5.180 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1828744350 DSEQKZZANCXYBJ-VGSWGCGISA-N 442.003 5.267 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)c2ccc(O)cc2)CC1 1830333527 RKGGTMBZMHFNLH-HYBUGGRVSA-N 440.628 5.108 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1831368031 QCVAQWFJSSEXEN-GAJHUEQPSA-N 442.003 5.267 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832632553 STMGTQNHURZRQL-SQJMNOBHSA-N 449.639 5.539 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cc3oc(-c4ccccc4)cc3[nH]1)C2 1841058327 ZKIAEHXGQVMHCZ-UHFFFAOYSA-N 445.563 5.237 30 20 IKED Cc1ccc(-n2c(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nnc2-c2ccccc2)cc1C 10212471 SFPVRWMEMVNAHK-CLOONOSVSA-N 447.608 5.086 30 20 IKED C=CCn1c(SCc2cc(=O)n3cccc(C)c3n2)nnc1-c1ccc(C(C)(C)C)cc1 32857224 BVWMIEKDWQFNCY-UHFFFAOYSA-N 445.592 5.037 30 20 IKED C=CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1[C@H]1COc2ccccc2O1 36189133 RCMOUQCYCKVWBL-GOSISDBHSA-N 433.455 5.288 30 20 IKED Cc1cc(C#N)ccc1Oc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12 60378754 RFPIZHIRRIBGHI-UHFFFAOYSA-N 442.544 5.163 30 20 IKED Cc1ccc(F)cc1NC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 63604906 YRRCQOZGYQGDNC-UHFFFAOYSA-N 425.300 5.269 30 20 IKED O=C(Nc1ccc(Cl)cc1F)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 63825670 RJBVORBUGTYUBG-UHFFFAOYSA-N 445.718 5.614 30 20 IKED Cc1nc(-c2ccccn2)sc1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 108012952 MTXGNKUFDONUPK-UHFFFAOYSA-N 442.519 5.367 30 20 IKED C=CCn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nnc1-c1ccccc1F 195569056 WGJAEOKEAUFAIE-UHFFFAOYSA-N 445.523 5.114 30 20 IKED C=CCn1c(SCc2csc(-c3cccc(OC)c3)n2)nnc1-c1ccccc1F 195569844 BBTFHPDQDQKGHN-UHFFFAOYSA-N 438.553 5.695 30 20 IKED Cc1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c2c(C(C)C)noc2n1 195692364 SGNIJRLBWAEUHT-UHFFFAOYSA-N 440.503 5.552 30 20 IKED COc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OCc1ccccc1 217047084 DROIJLLHUYPCMW-GOSISDBHSA-N 432.545 5.921 30 20 IKED C[C@@H](Sc1nnc(C[C@@H](C)c2ccccc2)o1)C(=O)Nc1ccc(C#N)c(Cl)c1 302773599 GOAHOSRFZJQSKA-ZIAGYGMSSA-N 426.929 5.060 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 303676970 JCSYHVVWYZPAGX-UKJJDJLKSA-N 446.572 5.049 30 20 IKED CC(C)n1ncnc1CN[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 434487720 XWTJPWZXYAMAKN-CYBMUJFWSA-N 434.306 5.290 30 20 IKED Cc1c(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)sc2nc(C(F)(F)F)ccc12 436328895 AKCXUYDURUWUMZ-IRXDYDNUSA-N 429.467 5.536 30 20 IKED N#Cc1csc(C(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)c1 437681616 KRUBIIVNVSRNDE-UHFFFAOYSA-N 433.386 5.282 30 20 IKED Cc1ccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1OCC1CCOCC1 438260282 NUPVJOIWNQWDHQ-RPWUZVMVSA-N 433.552 5.104 30 20 IKED Cc1nc2ccccc2n1CCCNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438652757 WBSQMIXMSZQMGF-UHFFFAOYSA-N 443.482 5.360 30 20 IKED C[C@@H](CSCc1ccccc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 439922347 BEBHQPQHCWZJHS-HNNXBMFYSA-N 440.619 5.210 30 20 IKED N#CCC[C@H](NC(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1)c1ccccc1 440251763 SLOLTORAZHASRW-QHCPKHFHSA-N 427.508 5.175 30 20 IKED N#Cc1cc(NC(=O)Nc2cccc3c2CN(c2ccccn2)C3)ccc1OC(F)(F)F 442198717 GVARKDUJBFEJAZ-UHFFFAOYSA-N 439.397 5.016 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccc2c(c1)CCN2C(C)=O)c1ccc(C(F)(F)F)cc1 442199791 PAPJRAJDDAWLLI-FQEVSTJZSA-N 431.458 5.443 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCOc3c(F)cccc32)cc1 443576669 BNQMVWUZQFQZPT-FQEVSTJZSA-N 433.439 5.144 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] 446053948 QQQZAWZWGPMWNY-SECBINFHSA-N 426.317 5.065 30 20 IKED Cc1cc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)n(-c2ccc(C(F)(F)F)cn2)n1 446161011 JVSZJBJNAHCCFQ-UHFFFAOYSA-N 432.299 5.005 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3ccc(F)cc3-c3nc4ccccc4s3)on2)c1 447458456 HMMYQTFZPCOZMU-UHFFFAOYSA-N 440.459 5.881 30 20 IKED COCCN(C(=O)c1ccc(-c2ccc(Br)cc2)s1)c1ccc(C#N)cc1 460359771 BUDMEMPTOKJFBJ-UHFFFAOYSA-N 441.350 5.342 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H]1c1csc(C)n1 460774588 NZKWTFDORHXGOW-NNWRFLSQSA-N 435.597 5.206 30 20 IKED N#Cc1ccc(NCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)cc1C(F)(F)F 462171588 SUUVJAKXEQQLJT-KRWDZBQOSA-N 444.438 5.021 30 20 IKED C[C@H](Nc1ccccc1SC[C@H](C)C#N)c1nnc(-c2ccc(Cl)cc2Cl)o1 466149502 WJMLKDBOOKUYSN-OLZOCXBDSA-N 433.364 6.468 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1ccc(C(F)(F)F)c(F)c1C 467919636 OYJGSFMJUWVPKS-SECBINFHSA-N 425.348 5.020 30 20 IKED C[C@@H](CNc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(Br)c1 468891716 JQEQZZUIJKRXIG-INIZCTEOSA-N 426.358 5.248 30 20 IKED CCN(CC)Cc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 470112589 QKDDGUBFBGRPGK-UHFFFAOYSA-N 429.589 5.945 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(Oc2ccccc2OC)cc1 477277923 MXBCJYXUWQTONF-UHFFFAOYSA-N 447.491 5.294 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)N[C@H](c3cccc4ccccc34)C(F)(F)F)CCO2)c1 482399616 BXGJAXBXJXHCOA-FCHUYYIVSA-N 439.437 5.098 30 20 IKED Cc1ccccc1-c1cc(C(=O)[C@H](C#N)c2nccc3ccccc23)c2cnn(C(C)C)c2n1 483217868 YDOCEUMCEYOFBT-HSZRJFAPSA-N 445.526 6.026 30 20 IKED COc1ccc([C@H](NCc2cc(C#N)ccc2OC)c2ccc(C(F)(F)F)cc2)cc1 486144226 FLKQKKJQNDHSRZ-HSZRJFAPSA-N 426.438 5.473 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1ccccn1 488897998 LXAOREYOTLQNDR-UHFFFAOYSA-N 443.532 5.049 30 20 IKED C[C@@H](NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12 497381618 FVHWZDYKFKORHO-QGZVFWFLSA-N 439.475 5.016 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl 498477938 QXFIUFBVIDIHMD-CHWSQXEVSA-N 436.364 5.145 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccc(F)c(C(F)(F)F)c1 498605329 ZJHFDXSFOSQKGC-UHFFFAOYSA-N 427.291 5.514 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(OCc2cccnc2)cc1 499311799 XRFKOYJBYIPZJE-UHFFFAOYSA-N 428.561 5.321 30 20 IKED COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Sc1nc2c(c(-c3ccco3)c1C#N)CCC2 501540568 YWPYROYXGBEYNE-CVEARBPZSA-N 447.560 5.069 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2ccc(F)cc2F)C2CC2)cc1 503281394 FHWSKNDYRSLSJF-UHFFFAOYSA-N 447.485 5.806 30 20 IKED CCN([C@H](c1ccc(Cl)cc1)c1cccnc1)S(=O)(=O)c1ccc(C#N)cc1Cl 503445798 GHBHRUABZMRCIK-OAQYLSRUSA-N 446.359 5.060 30 20 IKED Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)[C@@H](C#N)c1nc2ccccc2o1 505450256 BIECVIVIKRPEOH-MRXNPFEDSA-N 446.304 5.814 30 20 IKED CCN(Cc1cccc(Cl)c1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509920474 SURTWTPULOPUDF-UHFFFAOYSA-N 433.939 6.039 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N[C@@H](C[C@H]3CCOC3)c3ccccc3)c2)c1 510053677 FKWMLDDGLOWGMY-GJZUVCINSA-N 426.516 5.035 30 20 IKED N#CC1(F)CCN([C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)CC1 510945791 KFMQNNUDFMDITF-SFHVURJKSA-N 439.840 5.366 30 20 IKED C=CCn1c(SCc2ccc(S(=O)(=O)C(C)C)cc2)nnc1-c1cccc(Cl)c1 513636275 YDPMDDVWFIPWLC-UHFFFAOYSA-N 448.013 5.259 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccccc2OC(F)F)cc1 513963443 RAXQLLASXANNOK-UHFFFAOYSA-N 425.410 5.533 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 515649036 HZDVEJZSTDGQGW-VWLOTQADSA-N 442.515 5.142 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1c(C)[nH]c2ccc(Br)cc12 515672203 IILBMXLMPYISGG-UHFFFAOYSA-N 427.342 5.005 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Nc1cccc(OCc2cccc(C#N)c2)c1 515756193 QAKOGKPGBYSJOL-FQEVSTJZSA-N 427.548 6.008 30 20 IKED CC(C)N(C)CC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 515795702 BXEHVZQNYOUMRJ-UHFFFAOYSA-N 440.975 5.588 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccccc2)C2CC2)cc1Cl 515973431 XOVATUPTQPGIEK-HSZRJFAPSA-N 443.934 5.125 30 20 IKED N#C[C@@H](NC(=O)CCCc1ccc(Br)s1)c1ccc(Cl)c(Cl)c1 518320707 WEJUESFVNMOPOB-CQSZACIVSA-N 432.170 5.521 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(Br)cs1 518668948 WCGHMEOFDWADKS-UHFFFAOYSA-N 435.290 5.787 30 20 IKED Cc1cccc(Oc2ccccc2CNC(=O)C(=O)Nc2ccccc2SCCC#N)c1 519442830 WRVDFKLIRWBKGT-UHFFFAOYSA-N 445.544 5.048 30 20 IKED Cc1nccn1-c1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 519729341 DLXPOFZHPPAUNO-QGZVFWFLSA-N 438.491 5.122 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)c1C 523535422 POXKXYLIJAOWGL-UHFFFAOYSA-N 448.486 5.125 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 523902290 LUUHGWOBTGOFQV-JGCGQSQUSA-N 443.572 5.227 30 20 IKED C[C@@](C#N)(CCc1ccccc1)NC(=O)c1oc2ccccc2c1CSc1ncccn1 533046907 LMIZFBNTYMTDHP-VWLOTQADSA-N 442.544 5.160 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 539426787 SEFZZGFTBQWIRY-DENIHFKCSA-N 432.911 5.203 30 20 IKED Cc1cc(Br)cc2c1CN(C(=O)Nc1ccccc1SC[C@H](C)C#N)CC2 540400414 GOKZZAMEVPBSGS-CQSZACIVSA-N 444.398 5.600 30 20 IKED C=CCn1c(SCc2nc(-c3c(F)cccc3F)cs2)nnc1-c1ccncc1 542337828 VQLZOIUZOOXKDZ-UHFFFAOYSA-N 427.505 5.220 30 20 IKED COc1ccc(C#N)cc1CN[C@H](C)c1sc(-c2ccccc2Br)nc1C 543496227 DHMHLOPNQVPWAE-CYBMUJFWSA-N 442.382 5.612 30 20 IKED N#Cc1cc(C(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)ccc1Cl 544430512 MOURJOKMMJPOCL-UHFFFAOYSA-N 442.277 5.186 30 20 IKED N#Cc1ccccc1OCc1ccc(-c2nc(-c3ccc(OC4CCOCC4)cc3)no2)o1 545796803 GBJSKFMMBTVNHL-UHFFFAOYSA-N 443.459 5.005 30 20 IKED C[C@@H]1CN(C(=O)c2ccc(C#N)c(Cl)c2)c2ccccc2N(Cc2ccccc2)C1=O 547959166 YQYJFYBTMHVSGU-QGZVFWFLSA-N 429.907 5.041 30 20 IKED N#Cc1ccc(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)cc1Cl 548290077 KLLGJSGXSNFLBN-UHFFFAOYSA-N 445.693 5.418 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 549261129 MPDBURTZRTWOSJ-UTKZUKDTSA-N 431.565 5.097 30 20 IKED C=C(C)Cn1c(CC)nnc1N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 549690064 IKOOBJCKBTZAON-INIZCTEOSA-N 448.411 5.032 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)NC1CCC(c2ccc(C(C)(C)C)cc2)CC1 553635597 PBVIETDKJGKTLK-UHFFFAOYSA-N 434.628 5.486 30 20 IKED CC(C)c1nc2ccc(NC(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)cc2s1 554159117 ISMYMTDYOHHUJT-UHFFFAOYSA-N 438.528 5.506 30 20 IKED N#Cc1ccc(N2CCC(c3nc([C@@H](F)c4ccc(C(F)(F)F)cc4)no3)CC2)c(F)c1 561929440 JEPATUAIIZQLIP-IBGZPJMESA-N 448.395 5.542 30 20 IKED CC(C)[C@@H](c1ccc(Cl)cc1)c1noc(CCC(=O)N(CCC#N)c2ccccc2)n1 576265302 HLFXXJYHCYPWAG-QHCPKHFHSA-N 436.943 5.390 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 582320001 HSKQNRGZVGXGMG-WOJBJXKFSA-N 442.485 5.003 30 20 IKED Cc1nc(CSc2ccccc2C(=O)NCCSCc2ccccc2C#N)cs1 591340705 ZWRRWKAAQNZPJI-UHFFFAOYSA-N 439.631 5.279 30 20 IKED N#Cc1ccc(N2CCC3(CC2)Nc2ccccc2C(=O)N3c2ccc(F)cc2Cl)cc1 602756182 GJQLXPYNZZMACE-UHFFFAOYSA-N 446.913 5.420 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)cn2)cc1 603765195 RWCCXDIELHRZHI-UHFFFAOYSA-N 444.878 5.625 30 20 IKED N#C[C@H](C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc2cc(C(F)(F)F)ccc2s1 603846390 YCTZKUFWUYSPTM-GFCCVEGCSA-N 447.419 5.928 30 20 IKED Cc1ccc(-c2ocnc2C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 608552835 BSNODVAWAIFOGB-AWEZNQCLSA-N 427.407 5.769 30 20 IKED N#Cc1c(NC(=O)CCSc2cc3c(cc2Cl)OCCO3)sc2c1CCCC2 608930394 SYJISSRGIKSKAU-UHFFFAOYSA-N 434.970 5.044 30 20 IKED CC[C@@H](c1ccccc1)c1nnc(SCCC(=O)Nc2sc3c(c2C#N)CCC3)o1 609019084 GGWGXJLBMUINQZ-HNNXBMFYSA-N 438.578 5.154 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccnc1SCc1ccc(F)cc1 609377041 OSOCQNIHTQJIDC-INIZCTEOSA-N 437.565 6.017 30 20 IKED C=CCN(C(=O)c1cc(-c2ccccc2)ccc1Cl)c1nc(C(=O)OCC)cs1 609501627 BWQBLQIOGDHEGY-UHFFFAOYSA-N 426.925 5.473 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc(-c4n[nH]c(C5CC5)n4)c3)cc2)cc1 609503695 IWMYUOBKVIREEX-UHFFFAOYSA-N 435.487 5.460 30 20 IKED CC(C)(C)c1noc(-c2ccccc2C(=O)NC2CCC(Oc3ccccc3C#N)CC2)n1 609508672 HUAIZNXKEDKRIN-UHFFFAOYSA-N 444.535 5.026 30 20 IKED COc1ccccc1CSCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 609852192 NLBSWSIFWKDRSH-UHFFFAOYSA-N 437.540 5.045 30 20 IKED Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)Nc3ccc(F)c(C#N)c3)c12 609970474 IVRLSANZZUHQKI-UHFFFAOYSA-N 440.356 5.480 30 20 IKED Cc1cccc(NC2CCN(C(=O)c3cccc(OCc4ccccc4C#N)c3)CC2)c1 610159357 WZNVUFCVJOVKGN-UHFFFAOYSA-N 425.532 5.162 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2ccc(F)cc2F)n(Cc2ccc(F)cc2)c1C 610166533 YARRGCYDJJIAJI-UHFFFAOYSA-N 429.467 5.173 30 20 IKED Cc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)ccc1NC(=O)CC(C)C 610223963 WFUJHWJOACTXNV-UHFFFAOYSA-N 428.492 5.291 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)N[C@H](C)c1cccc(C#N)c1 610326771 MFMDATCCWWSSBX-MRXNPFEDSA-N 427.483 5.442 30 20 IKED C[C@@H](NC(=O)N[C@H](c1cc(F)ccc1F)c1ccccc1Cl)c1cccc(C#N)c1 610357434 MNZJQBYOKCUMOW-PEBXRYMYSA-N 425.866 5.640 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccccc2)c2ccccc12 617468876 KBLLCHPSCRAFDU-SFHVURJKSA-N 445.613 6.054 30 20 IKED N#Cc1cnc2c(Br)cccc2c1N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 619651299 RXGWXACGGKPRDX-GHMZBOCLSA-N 438.169 5.046 30 20 IKED CCOc1ccc(-n2c(S[C@H](C#N)c3ccc(Cl)cc3)nnc2-c2ccncc2)cc1 619863659 HBKGNEQGTNLRER-OAQYLSRUSA-N 447.951 5.738 30 20 IKED C=C[C@H](CC(=O)NC1CCC(NC(=O)C[C@@H](C=C)c2ccccc2)CC1)c1ccccc1 677586479 NTDZOAYAKBZVFY-URFUVCHWSA-N 430.592 5.250 30 20 IKED C=C(C)CN(CC)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C(C)C 681207157 DNBWTSFXKILQFF-UHFFFAOYSA-N 427.401 5.350 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(OCC(C)C)cc2)cs1 728156628 GJHLHHVGCKQSOH-ZROIWOOFSA-N 434.561 6.067 30 20 IKED C=CCOc1ccc(C(=O)OCc2csc(N(C(C)=O)c3cccc(C)c3C)n2)cc1 728322946 HNHZEVNDHQOMMV-UHFFFAOYSA-N 436.533 5.366 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(SC(C)C)cc2)cs1 728440959 APBSEQMEMGSVKB-ZROIWOOFSA-N 436.602 6.533 30 20 IKED COc1cc(C(=O)/C=C\c2ccc(OCc3cc(C)c(C(=O)O)o3)cc2)ccc1SC 729936476 CZFZQNVFKYTQKV-POHAHGRESA-N 438.501 5.492 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC([C@@H](O)c4ccc(F)cc4)CC3)cc2)cc1 732289591 AAGTYXSSXJVLJE-SANMLTNESA-N 444.506 5.270 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc3ccccc3c3cccnc23)ccc1OC 733228944 SGCIASXPLOSHLQ-IBGZPJMESA-N 425.488 5.008 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)ccc1OC 733323663 MQVIBSSMMZAWDN-OZXSUGGESA-N 443.547 5.154 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(Oc3ccccc3OC)cc2)c1 733802227 HXYAVKHCXCVORF-NRFANRHFSA-N 445.519 5.168 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Sc3ccccc3)cc2C)c1 733844661 SKLJOMZFNRBWQK-HXUWFJFHSA-N 431.561 6.149 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)c1 733851655 GGYVGDNILFPOEA-GOSISDBHSA-N 432.351 5.549 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](Cc2ccccc2)c2cccs2)ccc1OC 735189609 DQGKQJUVSPVOHQ-LEWJYISDSA-N 449.576 5.221 30 20 IKED C#CCN(C(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1)C1CCCCC1 735585863 JHUKVEUDQSZDGH-DENIHFKCSA-N 435.534 5.066 30 20 IKED CCN(Cc1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)C(=O)OC(C)(C)C 737016862 FDZAZRDGWKMFFN-UHFFFAOYSA-N 448.567 5.512 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Nc3nc(CN4CCCCC4)cs3)c2)s1 740022185 FODAXWBPIFMIAX-UHFFFAOYSA-N 437.594 5.051 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)NCc3ccc(OCC#N)cc3)s2)cc1 740049562 XAVDAAVPPFNHLQ-SFHVURJKSA-N 434.565 5.232 30 20 IKED O=C(/C=C\c1csc(Br)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1 741448360 WDMRXPQFFJHFSY-YHYXMXQVSA-N 425.369 5.123 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 742890393 RMSBDOZPXKBADT-VGOFRKELSA-N 437.540 5.186 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nc2ccccc2s1 743238760 UTGXCQQJDKILML-CQSZACIVSA-N 432.480 5.982 30 20 IKED Cc1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)c(C)n1-c1ccc(C#N)cc1 743431437 SUZXWZWZRMMVDA-UHFFFAOYSA-N 425.488 5.107 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc(Oc3ccc(Cl)cn3)cc2)cc1 743486134 ZIRUOLHJTMWHKO-GOSISDBHSA-N 434.927 5.583 30 20 IKED Cc1c(Br)cccc1C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 744033713 VOKIUCJSCSIIQQ-AWEZNQCLSA-N 426.097 5.026 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 746166964 KMHKXLBVUHBDPN-FXAWDEMLSA-N 439.581 5.675 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c1 746250978 KFANRRILRQBJKD-JWQCQUIFSA-N 444.506 5.005 30 20 IKED Cc1noc([C@H](OC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c2ccccc2)n1 750870472 PEPXAZQWORGDOT-HSZRJFAPSA-N 425.444 5.183 30 20 IKED COc1ccc(CCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(OC)c1 754530018 AVWGPBJDMLNDSL-LJQANCHMSA-N 440.952 5.680 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(C)c(N3CCOC3=O)c2)cc1 756954942 SJSHCDPQJQQMHR-UHFFFAOYSA-N 427.460 5.176 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](c1cccnc1)c1cccc(C(F)(F)F)c1 759593269 FFUYZHIUPXLUFF-QVKFZJNVSA-N 426.394 5.072 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3ccccc3)nc2C(F)F)cc1 762023551 DQIZYKGRFCJKLO-INIZCTEOSA-N 425.460 5.271 30 20 IKED N#C[C@H](COC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)Cc1cccs1 772738188 VZPCKAWYFUTVTO-CYBMUJFWSA-N 430.938 5.255 30 20 IKED CCN(CCC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1)CC(C)C 774023931 QZMPPPAWRBFGED-MHZLTWQESA-N 446.639 5.954 30 20 IKED Cc1nn(-c2ccccc2)c2ncc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc12 778292837 ACCUOBXVTXHMOT-SFHVURJKSA-N 443.919 5.482 30 20 IKED CC(C)(C)n1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(Br)n1 779837967 UAFHMECTINXOGD-SFHVURJKSA-N 437.341 5.308 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 780153824 YOIBYJOIWZZVKN-SECBINFHSA-N 425.724 6.405 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 780637364 WSMIYGFTUNOACN-JTQLQIEISA-N 439.344 5.152 30 20 IKED Cc1cc(CNC2CCC(Oc3ncccc3C#N)CC2)cc(C)c1OCc1ccccn1 782545639 SAZDQOZOCOXGLG-UHFFFAOYSA-N 442.563 5.024 30 20 IKED N#C[C@@H](COC(=O)Cc1csc(-c2cccs2)n1)Cc1ccccc1Br 786632184 FFHOBFMMASBHBX-ZDUSSCGKSA-N 447.379 5.102 30 20 IKED CCc1c(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cnn1C(CC)CC 792418523 KYDBVZCKGNZFAB-QFIPXVFZSA-N 443.551 5.039 30 20 IKED N#CC[C@H](CC(=O)O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccccc1 796532584 OVKXFFBAUZTBLZ-UTKZUKDTSA-N 428.319 5.562 30 20 IKED Cc1ccnc2ccc(C(=O)[C@@H](C#N)C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)cc12 802799845 MJEJTNWLEFASEH-FZKQIMNGSA-N 426.303 5.050 30 20 IKED CC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(C#N)cc3C(F)(F)F)SC2=S)cc1 811624630 LNSXXNJSZHOXLD-RQZCQDPDSA-N 432.448 5.185 30 20 IKED C[C@@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1cccc(Br)c1 813065014 UEAKVQVJRXOGMB-RISCZKNCSA-N 447.304 5.831 30 20 IKED CCn1c(SCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nc2ccccc21 915085198 IMOBJAWXLOYDMP-NRFANRHFSA-N 426.545 5.442 30 20 IKED COc1cc(C)c([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC 915350192 KWWMQTIBCNPVJM-MBSDFSHPSA-N 429.520 5.550 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCOc2cccc(C(F)(F)F)c2)cc1 916650788 NHCXVKRVXAAMMB-JOCHJYFZSA-N 439.437 5.561 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1-n1cccc1 916911742 XWGLCEUWAWIHPZ-JOCHJYFZSA-N 435.483 5.539 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(Cc3ccccc3)n2)cc1 916949463 OPNLBWHFMKAOCW-VGSWGCGISA-N 431.561 5.137 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(NC(=O)OC(C)(C)C)c3)n2)cc1 916972051 JLXXBIRFMMJHOJ-IBGZPJMESA-N 433.533 5.956 30 20 IKED CC(C)(C)c1ccc(OCCCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1 917041604 VONAABIWDWGAED-SFHVURJKSA-N 425.479 5.764 30 20 IKED N#Cc1cccc(/C=C2/CC3(C/C(=C\c4cccc(C#N)c4)C2=O)C(=O)Nc2ccccc23)c1 917518050 RBRPZUIMXUDKBZ-NQGGHMMCSA-N 441.490 5.150 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccccc3C(F)(F)F)n2)cc1 920139857 ZOCSNYRASPTCPX-HNNXBMFYSA-N 432.423 5.093 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)cc1 920443167 UJDANTUIOFTUSJ-UHFFFAOYSA-N 448.910 5.152 30 20 IKED CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 921112307 AAOJHVICQNFXAA-XZOQPEGZSA-N 448.567 5.253 30 20 IKED COc1cc(C=NNc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 921254182 TYRITACCMRZIKS-UHFFFAOYSA-N 437.296 5.009 30 20 IKED Cn1c(O)nc2cc(C(=O)Nc3ccc(Sc4ccc(Cl)cc4C#N)cc3)ccc21 1638222033 QAMXGGZMASBCLM-UHFFFAOYSA-N 434.908 5.207 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cccc(C)n3)cc2)CCC1 1785826755 OJWQUWLGTPSDOH-QDEBQFNMSA-N 429.564 5.306 30 20 IKED Cc1cnc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)s1 1787216703 OBLRHMXQHXXYAN-MRXNPFEDSA-N 444.560 5.140 30 20 IKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccsc4)cc3)CCC2)cc1 1787281939 BIGZEWHQPVTXPO-UHFFFAOYSA-N 429.545 5.000 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(F)c(F)c4)CCC3)cc2)cc1 1790707752 NHYKCUIECIPMOY-UHFFFAOYSA-N 445.469 5.092 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)c(F)cc3F)CCC2)cc1 1791300359 MHJUDYFDVBLMDM-UHFFFAOYSA-N 438.396 5.063 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cccc4cc[nH]c34)CCC2)cc1)C(F)(F)F 1791302573 ACPNGLKLHQZKRA-UHFFFAOYSA-N 427.426 5.034 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@]3(F)CCCC=C3F)cc2)CCC1 1792376117 MZQHVQWDKHJDBV-CPJSRVTESA-N 428.523 5.635 30 20 IKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(c1)c1ccccc1n2CC 1799317232 XWZGDESGPJHELC-PSWRPDDJSA-N 443.591 5.278 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ncccc23)CC1 1824142320 OEMBDTWKBLATEA-AREMUKBSSA-N 445.607 5.237 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)cc2F)CC1 1829068928 YNMPRMBNZFRBTL-QFIPXVFZSA-N 432.555 5.191 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)c(OC)c2)CC1 1830065683 WLLVHCHBIIMQIZ-XMMPIXPASA-N 438.612 5.005 30 20 IKED CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](C)ON=C(C)C)CC2)CC1 1831562406 PVPWLBGTHUFTEL-WMIMKTLMSA-N 447.664 5.014 30 20 IKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccccc2F)cc1 11170587 VQCSHECCUPHDCK-UHFFFAOYSA-O 443.514 5.740 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nc2ccccc2c1=O 15230982 WYSIOXFPSORIRH-GFCCVEGCSA-N 434.348 5.009 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccccc2F)cc1 22726990 XLXIZDBAPOCNOW-UHFFFAOYSA-O 441.617 6.438 30 20 IKED COc1ccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(C(C)(C)C)cc2)cc1 22731220 IURTYWUCPZBJFC-UHFFFAOYSA-O 447.624 5.948 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccc3c(c2)CCCC3)c1 22732399 UTXGAKGOORUASL-UHFFFAOYSA-O 435.638 5.836 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C)cc2)=C(/S)NCCc2ccccc2)cc1 22735377 XUVYFUVJZKCWHQ-UHFFFAOYSA-O 445.652 5.957 30 20 IKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COc3ccccc3NC(C)=O)c2C#N)C1 31677077 ZSPKAFRXUBAPCQ-MRXNPFEDSA-N 439.581 5.137 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1sc2nc(C(F)(F)F)ccc2c1C 62897982 RTKVZEQBCVJUPR-UHFFFAOYSA-N 435.427 5.360 30 20 IKED C=CCOc1ccc(CN[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)cc1 237468932 UTFLTCOMTHLWMS-DEOSSOPVSA-N 441.980 5.188 30 20 IKED N#C[C@@H](C(=O)Cc1ccc(Cl)c(Cl)c1)c1nc(O)c2c3c(sc2n1)CCCC3 301757084 AKYIRAXRUHRNRQ-LBPRGKRZSA-N 432.332 5.001 30 20 IKED Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 303378037 VCWUANBSDAVSII-MRXNPFEDSA-N 437.594 5.339 30 20 IKED C=CCCc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 410357596 AWXLWUOMZXWPSW-UHFFFAOYSA-N 441.369 5.059 30 20 IKED C[C@@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1CCCC1(C#N)CCOCC1 410417524 LBFHLGWJDRJSKX-DENIHFKCSA-N 448.010 6.430 30 20 IKED N#CCCn1ncc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1-c1ccccc1 428334172 VXLCEVKIRXZGAX-UHFFFAOYSA-N 432.487 5.259 30 20 IKED CN(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H](c1ccc(Cl)cc1)c1cnccn1 428864958 AZLAFYBQCMWRGI-LJQANCHMSA-N 445.832 5.274 30 20 IKED N#CCSc1cccc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 429876177 IQLRFHHDQUYUJQ-IBGZPJMESA-N 448.375 5.242 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(OCC3CCCC3)CC2)cc1 434377158 LGORAOLSWCSPQP-UHFFFAOYSA-N 434.605 5.662 30 20 IKED CC(C)(C#N)CCCC[S@](=O)Cc1csc(-c2ccc(Br)cc2)n1 436112641 SCNPAPITWMBBRV-DEOSSOPVSA-N 425.417 5.541 30 20 IKED Cc1ccc([C@H]2CCCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 437882587 QXPFBTKAWCPZTH-RUZDIDTESA-N 438.531 5.878 30 20 IKED N#Cc1ccc(NC(=O)NCc2cc(Oc3ccc(F)cc3)ccn2)cc1C(F)(F)F 438644609 CCMJSUSVFWSLIX-UHFFFAOYSA-N 430.361 5.225 30 20 IKED CCCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H](C)c1ccccc1Br 441220570 AVEUGEXZPBYROU-HNNXBMFYSA-N 425.330 5.344 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3c(F)cc(Br)cc3F)c2)c1 443878849 BLJDKBGDFJDQJQ-UHFFFAOYSA-N 443.247 5.430 30 20 IKED Cc1ccc([C@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)cc1 461670038 YVKKVELKOUMLBK-DNQXCXABSA-N 427.552 5.036 30 20 IKED C[C@H](C(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F)c1cccc(C#N)c1 463582385 IYJYUZQDQBQMGS-ZDUSSCGKSA-N 427.382 5.165 30 20 IKED Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 464293543 IIOMVCRAHVHTFI-ZDUSSCGKSA-N 442.441 5.462 30 20 IKED C=CC[C@@H](CC)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC=C 466541631 NXAGCXNMIYLMEB-CQSZACIVSA-N 425.385 5.001 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)N[C@@H](C)c1ccc(C#N)cc1 467163441 UJTNASQKXVOVAQ-INIZCTEOSA-N 432.911 5.655 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC(C)(C)c1nc(C(F)(F)F)cs1 467706748 YBILPHNPPVPQPO-NSHDSACASA-N 428.505 5.470 30 20 IKED COc1ccc(-c2ccccc2)cc1CNc1ccc2c(c1)CCC(=O)N2CCCC#N 469210103 UBUZETKKXZOSHR-UHFFFAOYSA-N 425.532 5.557 30 20 IKED C[C@H](O)C[C@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1 469507837 CPOHLRAJQXKWPW-GBXCKJPGSA-N 443.547 5.008 30 20 IKED N#CCCCn1cc(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c2ccccc21 469690567 MYDBDBJEZMYUCE-OAHLLOKOSA-N 446.498 5.440 30 20 IKED CC(C)(C)c1ccc2cc(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)[nH]c2c1 469954071 TVHJUUVTNVTYPT-UHFFFAOYSA-N 428.536 5.301 30 20 IKED N#C[C@@H](NC(=O)c1ncoc1-c1ccc(F)cc1)c1ccc(OCc2ccccc2)cc1 472355405 XRBSDSWPAZITMD-JOCHJYFZSA-N 427.435 5.054 30 20 IKED COc1ccc(Oc2ccc(Cl)cc2NC(=O)N(CCC#N)Cc2ccccn2)cc1 473687461 RJZPRNYKHBJDRW-UHFFFAOYSA-N 436.899 5.484 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 475564133 LTRCGQJFGZPMPA-GOSISDBHSA-N 439.522 5.193 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N2CCCCC[C@H]2c2noc(-c3ccc(F)cc3)n2)cc1 476656188 FRFKKWRFZWIGJI-NRFANRHFSA-N 432.499 5.434 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCOCC(F)(F)C(F)F)cc1Cl 478705099 RRWCSXQZSGSQAO-MRXNPFEDSA-N 428.813 5.241 30 20 IKED C[C@H](CNC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2)C(F)(F)F 479369591 BCAYDGDNLYZIMH-QUNQUYFKSA-N 439.362 5.423 30 20 IKED C=C(C)[C@@H](NC(=O)Nc1ccc(CS(=O)(=O)C(C)(C)C)cc1)c1ccc(F)c(F)c1 480601248 OMWZYJYVPNMQIU-HXUWFJFHSA-N 436.524 5.117 30 20 IKED CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 482502751 DOBMEMAWVFGBHK-UHFFFAOYSA-N 445.466 5.174 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1nccc2ccccc12 483203350 QSQLONJYTMHDHH-HNNXBMFYSA-N 435.270 5.614 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@H](c2ccc(F)cc2)C(F)(F)F)n(C2CCCC2)c1C 484889019 STBPZTPXVNEUJA-HXUWFJFHSA-N 436.453 5.063 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)CCOc3ccccc3F)s2)c(C(F)(F)F)c1 487353916 MNSGIRZNGCJDIT-UHFFFAOYSA-N 449.429 5.171 30 20 IKED N#CCSc1ccccc1NC(=O)CSc1nnc(-c2cccc3ccccc23)o1 488840569 NXEXNTSYQRGRAK-UHFFFAOYSA-N 432.530 5.236 30 20 IKED C[C@H](CC(F)(F)F)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 496334654 WLEMDVDHZAOHHU-SECBINFHSA-N 436.381 5.087 30 20 IKED CCC(CC)[C@@H]1C[C@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CCO1 498385310 MGPYVVVOBQZZOT-RPBOFIJWSA-N 437.559 5.393 30 20 IKED C=C[C@@H](CC(=O)NC1(Cc2ccc(F)cc2Br)CCOCC1)c1ccccc1 498539321 IXAMIQYGVFAYHK-KRWDZBQOSA-N 446.360 5.156 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3coc(-c4ccc(F)cc4)n3)cc2)c1 499557265 HLQIGKPRTPEUFY-UHFFFAOYSA-N 427.435 5.113 30 20 IKED C/C(=C\c1ccccc1C(F)(F)F)CNc1ccc2c(c1)CCC(=O)N2CCCC#N 500449430 BCIRVCPVZFPYAR-SAPNQHFASA-N 427.470 5.804 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2nnc([C@@H](CC)c3ccccc3)s2)cc1 503190119 JBVSXFARMNVYHL-SFHVURJKSA-N 436.541 5.032 30 20 IKED CN(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 503410791 COQLUZRBUUPRPL-UHFFFAOYSA-N 434.883 5.350 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc(-c3ccccc3)nc3ccccc23)n1 505680858 HFFZUZDDPSIBKR-GOSISDBHSA-N 427.485 5.025 30 20 IKED C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 508886179 XUHDWQAVPBKXKV-LJQANCHMSA-N 444.505 5.063 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)[C@@H](C#N)c3ccccn3)cc12 509526676 UEYUPZMAWMSURA-INIZCTEOSA-N 441.343 5.646 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(C1CC1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 511979449 WLJKRXDBOAGNMY-GFCCVEGCSA-N 428.863 5.145 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1nc2cc(Cl)ccc2s1 512980630 JPOYKCBCHZEBKV-HNNXBMFYSA-N 440.311 6.280 30 20 IKED COc1ccc([C@@H](NC(=O)CNc2cccc(Oc3ccc(C#N)cc3)c2)C2CC2)cc1 517923325 GCCHFJGZRWMQNJ-SANMLTNESA-N 427.504 5.039 30 20 IKED C=CCN(C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 518255347 LFKZXMVFXPTTHB-IBGZPJMESA-N 440.507 5.236 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H](c2ccccc2)c2nccs2)cc1 521238264 XDVPJTGOHNHPFJ-QFIPXVFZSA-N 429.476 5.466 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2csc(-c3ccc(Br)s3)n2)nc2ccccc21 523459012 JURDHXBVAOEFFZ-JTQLQIEISA-N 443.351 5.011 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(-c2nc(C3CCCC3)no2)c1 524632511 BVUVMDBHNQVIHS-UHFFFAOYSA-N 443.956 5.429 30 20 IKED CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nc(C)cs1 524663207 GTGKHHFRVDNPRT-SFHVURJKSA-N 426.929 6.042 30 20 IKED N#Cc1cccnc1Oc1ccccc1NCc1coc(-c2ccc(C(F)(F)F)cc2)n1 534401286 NSPBEKKKLBQIPT-UHFFFAOYSA-N 436.393 6.031 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCn3c(C4CC4)nc4ccccc43)c2)c1 537639553 WRIRIQAXZNGILI-UHFFFAOYSA-N 449.514 5.066 30 20 IKED C[C@@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)c1ccc(C2(C#N)CC2)cc1 540760244 TZYJGPKNBPWXJS-HXUWFJFHSA-N 435.527 5.214 30 20 IKED CC(=O)Nc1cccc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 541157624 USPABJGLZDUMHY-ZWKOTPCHSA-N 426.520 5.305 30 20 IKED Cc1ccc2sc(N(Cc3ccccc3)C(=O)CN3CCC(CC#N)CC3)nc2c1C 541948644 MIDAZVIKWSHPSI-UHFFFAOYSA-N 432.593 5.072 30 20 IKED C[C@@H](NC(=O)N(Cc1ccco1)Cc1ccco1)c1ccc(-c2cccc(C#N)c2)cc1 542084086 CRNNRMLQZCHJPE-LJQANCHMSA-N 425.488 5.884 30 20 IKED Cc1cccc(C)c1[C@@H](C)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 546201860 BQUBQJKTKRRXGA-GCJKJVERSA-N 445.950 5.428 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(OCCC(C)C)CC1 549640839 CLMDAPXVMCMBAU-UHFFFAOYSA-N 432.996 5.215 30 20 IKED Cc1ccsc1CN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 551705568 CDJNBXRJUXCFIZ-UHFFFAOYSA-N 425.941 5.825 30 20 IKED CC1(C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)CCN(c2ccc(Cl)cc2C#N)CC1 553408047 KQFWGUYBOARONX-RDJZCZTQSA-N 441.925 5.303 30 20 IKED O=C(Nc1cc(F)cc(F)c1F)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 554071620 JCNUSVWBUAOGJD-UHFFFAOYSA-N 447.253 5.238 30 20 IKED CN(Cc1cc(F)c(F)c(F)c1)C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 555013445 RDKFIAGNQQJLBH-UHFFFAOYSA-N 446.326 5.111 30 20 IKED CC(C)c1c(NC(=O)c2cc(-c3cccc(C#N)c3)no2)cnn1-c1ccccc1Cl 562497919 TZRMVEMFCGQIRR-UHFFFAOYSA-N 431.883 5.428 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)CC1 570144273 XYRWPEJAUARUBN-UHFFFAOYSA-N 448.473 5.124 30 20 IKED CSC[C@@](C)(C#N)NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 571003557 XPOAHQBBHGWBHC-LJQANCHMSA-N 437.352 5.012 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCSc1ncnc2sc(C)c(C)c12 573707322 HACQXOURVQTIJH-UHFFFAOYSA-N 443.642 5.173 30 20 IKED O=C(N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)c1ncsc1C(F)(F)F 583512205 XIBGWVDLRSUZTJ-SECBINFHSA-N 438.271 5.094 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1cc(C#N)c2ccccc2n1 589042486 LNDMSHGTSRWMGO-UHFFFAOYSA-N 434.908 5.356 30 20 IKED O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)Nc1cccc(C#Cc2ccccn2)c1 601183904 RCOTUZXLIUBPDU-UHFFFAOYSA-N 445.950 5.005 30 20 IKED N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1ccc2ccccc2n1 603835732 OAOJKXNFFRINRM-HXUWFJFHSA-N 425.469 5.784 30 20 IKED CSc1nc(C)c(CCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C)n1 604003918 ROEDWYWNKPEFDE-UHFFFAOYSA-N 446.576 5.032 30 20 IKED C=CCCCN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(OC)c1OC)CC2 605645037 RUZMVINRWKIKJX-HNENSFHCSA-N 442.559 5.777 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(CCC3CCCCC3)o2)c1C 608929758 PHIOBAULDDEQNZ-UHFFFAOYSA-N 426.586 5.238 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3cnccn3)n2)cc1Cl 608937566 FPGCXHNKDBFQPR-IBGZPJMESA-N 445.935 5.090 30 20 IKED CCOc1ccc2cc(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)[nH]c2c1 609173053 KHGQTMHLDZFVBX-VWLOTQADSA-N 425.488 5.140 30 20 IKED N#Cc1ccccc1COc1cccc(CNC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 609544496 QHBRLQIICBPDMB-KPINYLBXSA-N 437.587 5.422 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H](C#N)c1ccccc1Br 609590217 FYBYYKPXZHLJDQ-MRXNPFEDSA-N 430.302 5.015 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@](C)(CO)c1cccc(C(F)(F)F)c1 609712792 NZTHRAXFMZKEMA-JLTOFOAXSA-N 437.487 5.129 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)N[C@@H](Cc3ccccc3)c3ccccc3F)CC2)c1 610146595 IHNJBOINBORFCI-SANMLTNESA-N 443.522 5.234 30 20 IKED C[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)C[C@@H](c2ccc(F)cc2)O1 610205618 OOPVQJKLMONPJF-JTSKRJEESA-N 432.520 5.451 30 20 IKED N#Cc1cc(Cl)c(C(=O)NCCCc2ccc(Br)cc2F)c(Cl)c1 611094434 KHYPFZFSDHRERX-UHFFFAOYSA-N 430.104 5.129 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@H](c1ccccc1)C(F)(F)F 612804635 ASWAYZDRCQXXTA-NQBHXWOUSA-N 436.318 5.499 30 20 IKED CCC(=O)c1cc(Br)ccc1OCC(=O)N(CCC#N)c1cccc(Cl)c1 612857405 IMQUYJFWPPQTFU-UHFFFAOYSA-N 449.732 5.021 30 20 IKED CC(C)(C)c1nsc(Oc2ccc(NC(=O)N3CCC[C@](C)(C#N)C3)cc2Cl)n1 614945435 XALBUCZKMPAZHQ-HXUWFJFHSA-N 433.965 5.439 30 20 IKED C[C@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C)c1cccc(C#N)c1 619800787 WEIAYJBSHLCXOL-CSWVRBLFSA-N 436.987 5.186 30 20 IKED C=CCn1c(-c2ccncc2)nn(CNC2(c3ccc(Cl)cc3)CCCCC2)c1=S 726590679 PZCSOSGJPAOOBE-UHFFFAOYSA-N 440.016 5.722 30 20 IKED COc1ccccc1[C@H](C)NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1C 728062679 NQPDKZREDWMPBC-PMACEKPBSA-N 443.547 5.132 30 20 IKED Cc1cc(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)c(C)n1-c1ccc(C#N)cc1 728268398 ZQWGVFUZYIMKJU-UHFFFAOYSA-N 447.388 5.421 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)cc1 728741580 VQHYECBAEVXOKJ-HXUWFJFHSA-N 441.409 5.224 30 20 IKED CC(C)CCN(CCC#N)Cn1nc(-c2cccs2)n(Cc2ccccc2)c1=S 728901712 SIWGAXUHERQBDZ-UHFFFAOYSA-N 425.627 5.410 30 20 IKED N#Cc1ccsc1NC(=O)COC(=O)[C@H](Sc1ccccc1Cl)c1ccccc1 730330901 DEEMJHVQLQIBAX-LJQANCHMSA-N 442.949 5.288 30 20 IKED N#CCCN(C(=O)CCC(=O)OCc1sc2ccccc2c1Cl)c1ccccc1 731255836 YFRVSFDQLMONBS-UHFFFAOYSA-N 426.925 5.325 30 20 IKED CCOc1c(Br)cc(/C=C/C(=O)c2cc(OC)c(OC)cc2C)cc1OC 731319908 SEMQPYMQJREMKD-BQYQJAHWSA-N 435.314 5.078 30 20 IKED CCCN(C(=O)NCc1ccc(OC)c(O[C@H](C#N)CC)c1)[C@@H](C)c1cc2ccccc2o1 733653781 MBOKQGWVQSLIRU-RXVVDRJESA-N 449.551 5.805 30 20 IKED C[C@@H]1CN(Cc2ccccn2)CCC1=NNc1ncnc2scc(-c3ccc(F)cc3)c12 734363750 OUERCFBXEWKHGB-MRXNPFEDSA-N 446.555 5.202 30 20 IKED C#CCN(C(=S)N[C@H](CC)c1cccs1)[C@H]1CCOc2ccc(Br)cc21 734379562 HRUMJXGDPAWSSU-SJORKVTESA-N 449.439 5.295 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)c3cc(Br)cnc3Cl)c2)s1 739596568 YFEVLJVDNKDPLB-UHFFFAOYSA-N 432.730 5.028 30 20 IKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740057801 MIKMLCVELZWUCO-RDGATRHJSA-N 445.588 5.596 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)c2)s1 740060598 VTLVKFCDUHKPBV-UHFFFAOYSA-N 441.560 5.252 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 741924340 FIRTUULLTDGRBW-CQSZACIVSA-N 426.463 6.417 30 20 IKED C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc3c(c2)COC3)cc1OCC 742436064 FTUXHMUAMDHXPC-VMPITWQZSA-N 429.310 5.339 30 20 IKED CC(C)=CC(=O)NCc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 742581502 UPGBADVSWAGCOH-UHFFFAOYSA-N 439.515 5.494 30 20 IKED COc1cc(C(=O)/C=C\c2csc(-c3ccc(C)cc3)n2)ccc1S(=O)(=O)C(F)F 747066023 ILLRPKMNMPUXBJ-HJWRWDBZSA-N 449.500 5.020 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2cc(-c3ccccn3)ccc2Cl)cc1 754998761 MIBYUJLGXLIWQJ-GOSISDBHSA-N 447.922 5.203 30 20 IKED CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 755044352 KTRTUXPATXNGTH-LXIYXOSZSA-N 449.523 5.204 30 20 IKED Cc1cc[n+](/C(C(=S)Nc2ccc(Cl)cc2Cl)=C(/O)c2ccc(C#N)cc2)cc1 762444680 CXETZDKVKTVNHX-UHFFFAOYSA-O 441.363 5.784 30 20 IKED COC(=O)Nc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc(C(F)(F)F)c1 763481235 SMWSPRRMHBTGFX-INIZCTEOSA-N 445.422 5.497 30 20 IKED O=C(/C=C\c1csc(-c2ccc(Cl)cc2)n1)c1c(F)cccc1N1CCOCC1 764436903 XDWIDDUIIRJGMF-HJWRWDBZSA-N 428.916 5.335 30 20 IKED C#CCCN(CC(F)(F)F)C(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C 767201469 BPFLVGJTMGUVTQ-UHFFFAOYSA-N 428.458 5.015 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 768154380 SBJNWMVHBLTAAC-HXUWFJFHSA-N 438.934 5.325 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CC=C(c3ccccc3Cl)CC2)ccc1OC 768944876 MQZLRKKMMCNMQR-IBGZPJMESA-N 439.943 5.028 30 20 IKED N#C[C@@H](C(=O)[C@H](c1ccccc1)N1CCc2ccccc21)c1nc2ccccc2n1C(F)F 772642382 VFPYXQAZHVKJCV-CVDCTZTESA-N 442.469 5.412 30 20 IKED C=CC[C@@H](C(=O)O[C@@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)c1ccccc1 778429854 YUWRQOZYSIBOKM-LAUBAEHRSA-N 448.544 5.231 30 20 IKED C=CCC[C@H](C(=O)OCc1csc(N(C(C)=O)c2ccc(C)cc2C)n1)c1ccccc1 778559389 PUCASIKIVMODCX-QHCPKHFHSA-N 448.588 6.238 30 20 IKED CC(C)(C)OC(=O)NCc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 786767580 XFUYXVSBNMRRGY-XMMPIXPASA-N 441.531 5.619 30 20 IKED C=CCn1c(-c2ccccc2F)nn(CN(CCC(F)(F)F)CC(F)(F)F)c1=S 790411475 HXNFUVVDNYEHAM-UHFFFAOYSA-N 442.404 5.180 30 20 IKED CCOc1c(Cl)cccc1CC(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 791785533 YSGXLWRIBJRRBW-KRWDZBQOSA-N 426.925 5.290 30 20 IKED CCCCn1ncc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1C(C)C 792418088 HWPJUZSNUKZWPR-QFIPXVFZSA-N 443.551 5.039 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cnn(-c3ccc(C)cc3)c2C(C)C)c1 792455857 ANFNMKZZVJDNFO-OAQYLSRUSA-N 431.540 5.307 30 20 IKED CC(=NNc1nc(C)nc2sc(-c3ccccc3)cc12)c1ccc(C(=O)N(C)C)cc1 792907312 VZIJCROPUSXSHL-UHFFFAOYSA-N 429.549 5.205 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccccc2)s1 797571975 SKCPLHRJBJHJJO-WTGUMLROSA-N 435.593 5.090 30 20 IKED Cc1ccc(C2=NO[C@H](CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)C2)cc1C 801611122 DCOIEOVEJQTXIF-LOSJGSFVSA-N 438.531 5.274 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 812189507 BJYJQLSSIJASNM-ZVVDCOBXSA-N 447.410 5.120 30 20 IKED Oc1c(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)ccc2ccccc12 814784390 CMJQVPQBRYBWPY-UHFFFAOYSA-N 445.331 5.194 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl 825211789 JMPULCZWDRYLFS-KXFIGUGUSA-N 443.208 5.079 30 20 IKED COc1cc([C@@H](C)/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)ccc1OCc1ccncc1 915981736 WSWWPXNUGYETQZ-KWRYHKOTSA-N 441.871 5.117 30 20 IKED COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cc(F)ccc3F)cc2OC)cc1 916135042 ZPVRGALHNFWPOZ-VZUCSPMQSA-N 438.426 5.235 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(Br)cc2Br)cc(Cl)c1O 916140368 PFMINERNUSOPHB-GORDUTHDSA-N 446.522 5.475 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ccc(Cl)c(C(=O)O)c2)cs1 916259461 IOGAXEJQAYNARW-UHFFFAOYSA-N 449.319 5.279 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 916673371 FRHBJBYPNBRCTH-QFIPXVFZSA-N 432.545 5.067 30 20 IKED COc1ccc(CCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1Cl 916911661 XGSDVDAFIFNISV-IBGZPJMESA-N 448.906 5.421 30 20 IKED COc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1OC1CCCC1 917085449 QUYKQASVYFDRGR-UHFFFAOYSA-N 432.476 5.313 30 20 IKED Cc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(C(C)(C)C)cc2)cc1 917614083 YKFFGDHXXDRZKS-UHFFFAOYSA-O 428.581 5.775 30 20 IKED CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 921112304 AAOJHVICQNFXAA-PKTZIBPZSA-N 448.567 5.253 30 20 IKED CSc1nc(O)c(C(=O)O[C@H](C)c2ccccc2OCc2ccc(F)cc2)cc1C#N 1129265009 YRKMKGVINXVEMU-CQSZACIVSA-N 438.480 5.017 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(C(F)(F)F)coc3C)cc2)CCC1 1788789726 MCSODPXXVPYEGP-CQSZACIVSA-N 434.458 5.567 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CC3CCC(C)(C)CC3)CCC2)cc1 1790567531 MBNRZQVMJYFOSM-IBGZPJMESA-N 441.616 5.528 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccccc4)CCC3)cc2)c1 1792122639 PGLMTMNXPNOEOG-FQEVSTJZSA-N 437.543 5.304 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@]4(F)CCCC=C4F)cc3)CCC2)c1 1792380633 YLRDFMPUBAWWMP-VWLOTQADSA-N 435.474 5.052 30 20 IKED C=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2CCC(c4ccc(Cl)cc4)CC2)C3)C1 1792500222 WYOWQOCKKCKJEQ-NSNZZXSASA-N 441.015 5.218 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)c(Cl)cc1F)C2 1798593666 AFRWUKKFRSNKLN-QDMKHBRRSA-N 441.374 5.377 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3ccoc3c2)[C@@H]1c1cccnc1 1810503607 RWESAPJBDIIAHR-LADGPHEKSA-N 445.563 5.140 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)CCCCC)[C@@H]1c1cccnc1 1812695144 FLOQXBAJLIPLHB-BUZMGHMJSA-N 425.617 5.072 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3cnccc3c2)n[nH]1 1818644868 XNHXCRVTLPLLAM-GGAORHGYSA-N 443.551 5.032 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cccc(C)n2)CC1 1823749706 TTYBVBVFDMASCA-XIQMRYHBSA-N 437.628 5.015 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccccc3o2)CC1 1824142367 QOCMNOLRRYVZTB-HSZRJFAPSA-N 434.580 5.435 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc3ccccc3c2)CC1 1826400641 RBIXAEMMUOGNJK-QFQXNSOFSA-N 432.608 5.214 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2oc3ccccc3c2C)CC1 1828828232 FTRYLCCWSFNDSX-VWNXMTODSA-N 448.607 5.743 30 20 IKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCC3CCCC3)CC2)c1 1830767664 MHXYZSIUFUXQOT-VWLOTQADSA-N 435.612 5.070 30 20 IKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(Cl)c2C)CC1)C(F)(F)F 1831448688 KXADVUWWHDDMOG-LJQANCHMSA-N 442.909 5.000 30 20 IKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@H](CCC)CC2)CC1)C(F)(F)F 1831454053 UUXPBIKMBUVIGL-JBACZVJFSA-N 442.566 5.331 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2cc(C)c(C)cc2C)[n+]2ccccc2CC)c1 10174582 RQYYEVSLQKNZHI-UHFFFAOYSA-O 431.625 6.075 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(COC(=O)/C=C/c2ccccc2C#N)cs1 11541735 WBNNSMABYRQUBL-MDZDMXLPSA-N 437.908 5.109 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2ccc(CC)cc2)cc1 22727268 FKCKHCHWNKFCOV-UHFFFAOYSA-O 441.523 5.264 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(OCC)cc2)=C(/S)Nc2cc(C)cc(C)c2)cc1 22730225 FOBBTCSTMBTBCD-UHFFFAOYSA-O 447.624 5.993 30 20 IKED CC(=O)N(c1nc(/C=C2\CSc3ccc(F)cc3C2=O)cs1)c1ccc(F)cc1F 58304173 HIWNGYKNJWKKSF-WUXMJOGZSA-N 446.475 5.617 30 20 IKED Cc1cc2cc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)ccc2[nH]1 63768841 NMEFFSOBPXRRQO-UHFFFAOYSA-N 440.528 5.331 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2cc(Cl)ccc2Cl)[n+]2ccccc2)cc1C 71793486 OQPXLXWXGCZNQF-UHFFFAOYSA-O 430.380 5.949 30 20 IKED COc1cccc(CO[C@@H](C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 107875530 NHXBYBAJLFRITM-GAJHUEQPSA-N 434.923 5.548 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1OC 108672113 MLVVSZCXBUVANB-UHFFFAOYSA-N 442.943 5.228 30 20 IKED O=C(/C=C\c1ccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc([N+](=O)[O-])cc1 108860918 GHIVCZQXLBRHNM-KNBRTIFXSA-N 428.400 5.295 30 20 IKED Cc1ccccc1N1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 255952168 ZATZBBMJZQFISP-UHFFFAOYSA-N 427.573 5.121 30 20 IKED C[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 426657421 ONQCOZRCTYYZKK-INIZCTEOSA-N 433.895 5.162 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N(Cc3ccc(F)cc3)C3CCOCC3)c2)cc1 427792911 MJYIHSDVQGGCEQ-UHFFFAOYSA-N 429.495 5.262 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 428193211 PRISGDSSHWCZQN-UHFFFAOYSA-N 449.514 5.277 30 20 IKED O=C1CN(Cc2ccc(C(F)(F)F)cc2)C(=O)N1[C@H](CC(F)(F)F)c1ccc(F)cc1 431010535 PWJDKZBLMLUVOF-MRXNPFEDSA-N 448.338 5.302 30 20 IKED Fc1ccc(Cn2cc(CN[C@@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)cn2)cc1 436402283 VHOOXJCJMBHPRB-IBGZPJMESA-N 445.382 5.873 30 20 IKED COc1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1NC(=O)C1CCCCC1 439394592 HGZZJTQDZXOSLM-NRFANRHFSA-N 434.540 5.381 30 20 IKED N#Cc1ccc(CN(C(=O)C(=O)Nc2ccccc2Oc2ccccc2Cl)C2CC2)cc1 442461617 ZMYBOJFYAMVNND-UHFFFAOYSA-N 445.906 5.134 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)cc1 444498252 YNHDFZBWWQTVQW-AVRDEDQJSA-N 448.510 5.064 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N(C)[C@@H](C)c1nc2ccccc2s1 460796161 FHOBMUKDSAOKNV-SFHVURJKSA-N 433.581 5.378 30 20 IKED N#Cc1ccc(OCc2nnc(N3CCC[C@@H]3c3ccsc3)n2Cc2cccs2)cc1 461496464 NMDUDHIUIKJSSG-OAQYLSRUSA-N 447.589 5.242 30 20 IKED O=C([C@H]1CCCC[C@@H]1C(F)(F)F)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 466502577 JHGTWQDCDVCTJM-KBPBESRZSA-N 425.388 5.861 30 20 IKED C=CCCN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(OC)c1OC)CC2 468185301 CRBWVCCQUOLUBM-ZCXUNETKSA-N 428.532 5.387 30 20 IKED C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 473642682 PYMCKSJZQYCKLZ-INZIPBBXSA-N 433.533 5.313 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N2CCCCC[C@@H]2c2noc(-c3ccc(F)cc3)n2)cc1 476656189 FRFKKWRFZWIGJI-OAQYLSRUSA-N 432.499 5.434 30 20 IKED C=C(C)[C@@H](NC(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1)c1ccc(F)c(F)c1 477746805 UDUOCLCSTOBKER-OAQYLSRUSA-N 434.433 5.165 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@@H]3CCO[C@H]3c3ccccc3)cc2F)c1 489865027 WMKWMTKQPSUONW-OFVILXPXSA-N 445.494 5.176 30 20 IKED CC(C)(C)Oc1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cn1 490950543 ARABNJLXWKXCMG-UHFFFAOYSA-N 431.561 5.353 30 20 IKED C[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@H](C)c1ccccc1C(F)(F)F 499426239 DTYNUKRSOYEIAP-ROUUACIJSA-N 445.485 5.041 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)nc2sccc2c1=O 501107773 QUFPKGYRVPOICK-LLVKDONJSA-N 430.942 5.201 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccccc3OC[C@H]3CCCO3)c2)cc1 501440115 BYRUCQNUFZKKAD-XMMPIXPASA-N 442.515 5.142 30 20 IKED Cc1cc(F)cc([C@]2(F)CCN(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)c1 502930089 HVYSTWSMPKFWGU-SBUREZEXSA-N 429.536 5.038 30 20 IKED COc1ccc(Sc2ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc2)cc1 503037370 ZATVWJLSDQMAMT-QHCPKHFHSA-N 426.538 5.047 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)ccc21 503867859 AZASBPKQUIVANT-UHFFFAOYSA-N 438.453 5.437 30 20 IKED C=CCCc1ccccc1NC(=O)N[C@H](c1cc(OC)c(OC)c(OC)c1)C(F)(F)F 505023381 MDVCLYWPLAUCDT-HXUWFJFHSA-N 438.446 5.256 30 20 IKED Cc1noc(C)c1CSc1ccccc1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 505148299 HDCOLVGLZCZGAL-UHFFFAOYSA-N 447.560 5.139 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCOc2c(Br)cccc21 505296936 CLBJTBDFUQQCEU-CJNGLKHVSA-N 446.370 5.346 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2cccc3ncccc23)cc1 507831245 QKCFDDPXARQXJH-KRWDZBQOSA-N 438.487 5.346 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(F)c(Br)cc2F)o1 510144220 BINICSPQGRDGQR-UHFFFAOYSA-N 433.208 5.023 30 20 IKED COc1ccc(C[C@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1OC 510298487 NCQWQYIWDLQWBG-IBGZPJMESA-N 444.531 5.166 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3CCc4ccccc4[C@@H]3c3ccccc3)CC2)c(F)c1 511879154 NXCIWAJNPJZFCP-MHZLTWQESA-N 439.534 5.088 30 20 IKED C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC(Oc2ccc(C#N)cc2F)CC1 512843926 KOXRUTXXUVPJLO-IBGZPJMESA-N 443.522 5.235 30 20 IKED COc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1OCc1cccnc1 513314549 LTDVXUCLTSYKCV-UHFFFAOYSA-N 435.483 5.460 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)sc2nc(C(F)(F)F)ccc12 515585325 PSTDQPAEPWHSFT-CQSZACIVSA-N 443.475 6.237 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2cccs2)C2CC2)cc1Cl 516429594 FHLMXBHAJUYABB-NRFANRHFSA-N 449.963 5.187 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1CN(C)C1CCCCC1 519062666 VPDTUDMIJACTTE-UHFFFAOYSA-N 432.612 5.443 30 20 IKED Cc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2SC[C@H](C)C#N)c(C)c1 519415504 NTDVXXIQLZWWRE-QGZVFWFLSA-N 436.606 5.472 30 20 IKED CCN(CC)[C@@H](CNC(=O)N[C@@H](C)c1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 519949868 NIOMJTJSIWBOBC-KKSFZXQISA-N 432.490 5.020 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3c3cccc(Br)c3)cc2)nc1 521102204 OSMXQKFISUQYLB-OAQYLSRUSA-N 448.320 5.485 30 20 IKED Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(C)c1 521954966 LGLASJKXMQRZIF-UHFFFAOYSA-N 441.531 5.181 30 20 IKED Cc1c(C[S@@](C)=O)cccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 523960245 XXFYGYHKBHUNRL-SSEXGKCCSA-N 438.936 5.443 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 524198379 REOPXQLNBJZXCO-UHFFFAOYSA-N 432.867 5.334 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1 525562949 NRTVUQQLCUKQJX-MRXNPFEDSA-N 434.565 5.829 30 20 IKED C=CCn1c(SCc2c(C)nn(Cc3ccc(Cl)cc3)c2C)nnc1-c1ccco1 525599431 QQQUMFUVDISHHE-UHFFFAOYSA-N 439.972 5.531 30 20 IKED COc1ccccc1COC1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 535813251 FESHVADUIQPWPV-UHFFFAOYSA-N 426.516 5.055 30 20 IKED COc1ccc(C[C@@H](C)CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 536279992 KPRXTASVWUOCTK-HXUWFJFHSA-N 443.547 5.341 30 20 IKED CCN(C(=O)c1oc2ccccc2c1CSc1ncccn1)c1ccc(C#N)c(Cl)c1 536973371 CBXSNNQLRUFGJH-UHFFFAOYSA-N 448.935 5.707 30 20 IKED O=C(CCC(=O)c1ccc(F)c(F)c1)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 537688900 CMDMZBSMEUKBJS-UHFFFAOYSA-N 447.310 5.097 30 20 IKED CC(C)(C)OCc1ccccc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 539113367 VTAAMSCHCHIBHC-UHFFFAOYSA-N 428.532 5.899 30 20 IKED C=C(C)Cn1c(SCc2nc(Cc3cccc(Cl)c3F)no2)nnc1-c1ccco1 544840888 MDGCPINAOQJPAG-UHFFFAOYSA-N 445.907 5.173 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1 548836024 PKFWXORBYAKENV-UHFFFAOYSA-N 434.499 5.101 30 20 IKED C=C(C)Cn1c(-c2cc(-c3ccccc3)nc3ccccc23)nnc1N1CCC(C#N)CC1 549265611 HBQMGONWXQIMQF-UHFFFAOYSA-N 434.547 5.476 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 554473538 LVNIDJMZBBLMJG-XMMPIXPASA-N 443.547 5.173 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(CC)cccc2CC)nnc1-c1ccccc1F 558026979 SDZCBUZPZAVJDN-MRXNPFEDSA-N 438.572 5.514 30 20 IKED N#Cc1ccc(-c2nnc(N3CCC(c4ccc(Cl)cc4)CC3)n2C[C@H]2CCCO2)cc1 559118971 FAQHMMBWUNNVIE-HSZRJFAPSA-N 447.970 5.033 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)CC2)c(C)c1 562534626 XQOHKKDOBTYZKV-UHFFFAOYSA-N 427.548 5.297 30 20 IKED N#CCCC[C@H](NC(=O)C(=O)Nc1cc(F)ccc1Oc1ccccc1)c1ccccc1 566988885 OBSHPZVVZRFVNV-NRFANRHFSA-N 431.467 5.108 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1)[C@@H]1C[C@H]1C 571913756 PFVMLBBMYPEUQQ-UZUQRXQVSA-N 441.556 5.723 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc([C@@H](NC(=O)c2ccccc2)C2CC2)no1 574795006 CCHRQBBLEXEUQR-IBGZPJMESA-N 443.425 5.201 30 20 IKED CC1(c2nc(Cc3ccc4ccccc4n3)no2)CCN(c2ccc(Cl)cc2C#N)CC1 589089124 FEHUBLHDDYZPFX-UHFFFAOYSA-N 443.938 5.292 30 20 IKED CCN(CC)C(=O)c1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 591020034 AXTUNOFXCUYAAL-INIZCTEOSA-N 445.466 5.287 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C(=O)N2CCc3sccc3C2)C(C)C)n1 602755496 HOWQCKMRQRLZBQ-QGZVFWFLSA-N 439.528 5.044 30 20 IKED N#Cc1cnc2c(F)ccc(Cl)c2c1N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 604270807 SBELXNYLTJOGQM-UWVGGRQHSA-N 425.735 5.466 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)CSCc3cc(-c4cccs4)on3)c2C#N)C1 604508843 VFNXDUFLDWPRFM-GFCCVEGCSA-N 429.592 5.333 30 20 IKED C=CCN1CCC(NC(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)(F)F)CC1 607214406 OQUROMRJFFYHSK-UHFFFAOYSA-N 441.441 5.132 30 20 IKED CC[C@H](NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(F)ccc1F 607233088 WZYLWALABIAORL-YHAQOWFVSA-N 432.355 5.625 30 20 IKED N#C[C@@H](NC(=O)c1ccc(OCc2cccnc2)cc1)c1ccc(OCc2ccccc2)cc1 609173205 MKMYAVVQHPRPKL-HHHXNRCGSA-N 449.510 5.234 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc1 609297281 ASKKHHQQTNANKS-NRFANRHFSA-N 432.451 5.300 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CN[C@H](C)c2ccc(C#N)cc2)cs1 609598447 HOLIOXRHINXAIX-CQSZACIVSA-N 444.482 5.569 30 20 IKED C[C@@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1C(=O)c1ccc(C#N)nc1 609641485 YXIKXYRPHVLFAM-FOIQADDNSA-N 426.907 5.437 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(c4ccccn4)CC3)cc2F)c1 611094895 DTFXLZDZLGQNGF-UHFFFAOYSA-N 430.483 5.083 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(Oc4ccccc4Cl)CC3)cn2)c1 611096887 QBOAGUSXMBYJER-UHFFFAOYSA-N 448.910 5.474 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC(OCc3ccccc3F)CC2)cc1 611261749 SSUNNXXSJUXDOL-UHFFFAOYSA-N 444.506 5.098 30 20 IKED CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 618846522 BTHKYJCIBFWWTP-XMMPIXPASA-N 428.536 5.255 30 20 IKED C[C@@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C)c1cccc(C#N)c1 619800790 WEIAYJBSHLCXOL-XYJBZRSYSA-N 436.987 5.186 30 20 IKED COc1ccccc1/C(O)=C(/C(=S)Nc1ccc(C#N)c(Cl)c1)[n+]1ccc(C)cc1 726570528 DGHGBVHDTXDOAS-UHFFFAOYSA-O 436.944 5.140 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@@H]3COc3ccc(Cl)cc3)o2)cc1 728023193 YPIXAVWSYZWTKO-LJQANCHMSA-N 436.895 5.067 30 20 IKED C#Cc1cccc(N(C(=O)[C@@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)C(C)C)c1 728248595 XUWFKTWUOYUKPY-MRXNPFEDSA-N 439.606 5.058 30 20 IKED Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 728268614 QEOQNKDAIROTOJ-UHFFFAOYSA-N 448.526 5.779 30 20 IKED CCOc1cc(/C=C2\Cc3c(C)cccc3C2=O)ccc1OCC(=O)Nc1ccccc1 729150725 LUBHVNDWLDATMG-XSFVSMFZSA-N 427.500 5.234 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccn2Cc2ccncc2)cc1Cl 729319931 SFPYAPILAIEFMK-JOCHJYFZSA-N 426.907 5.493 30 20 IKED Cc1cc2occ(CC(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)c2cc1C 731060953 SDELXDKULFMUHD-QGZVFWFLSA-N 436.533 5.168 30 20 IKED N#Cc1ccccc1COc1cccc(/C=C2\NC(=S)N(c3ccccc3Cl)C2=O)c1 731317886 FIFADZUCKXDZNM-BKUYFWCQSA-N 445.931 5.053 30 20 IKED C#CCN(C(=S)Nc1cccc(Cl)c1C)[C@H]1CCOc2ccc(Br)cc21 733087458 RFPZXYLCJUYZKQ-SFHVURJKSA-N 449.801 5.567 30 20 IKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nc2ccc(Cl)cc2[nH]1 733154121 FQECQULECYFFJB-HNNXBMFYSA-N 446.963 5.871 30 20 IKED C[C@H](Oc1ccc(F)cc1Cl)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 733685952 RMGFYVJBQZPWBA-JQWIXIFHSA-N 436.842 5.525 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)OCc3csc(-c4ccccn4)n3)c2)cc1 734586843 YWFSQVDXRLBRPT-UHFFFAOYSA-N 427.485 5.013 30 20 IKED Cc1oc(-c2ccccc2F)nc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 737512713 AKYYHDRMYYOMIZ-UHFFFAOYSA-N 429.476 5.740 30 20 IKED C[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1nc(-c2ccccc2)cs1 740050280 KWXYBHQWIVVQEL-MRXNPFEDSA-N 444.585 5.971 30 20 IKED CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(C#N)o2)NC(=S)N1c1ccccc1 743739053 QUCMODAYAGPHSP-OAQYLSRUSA-N 448.935 5.153 30 20 IKED C[C@H](ON=CC(=O)Nc1ccccc1Cl)c1nc(-c2cccc(C(F)(F)F)c2)no1 744445156 JYLTXNQWWHPVEQ-NSHDSACASA-N 438.793 5.111 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)Nc1cccc(C(F)(F)F)c1 745723933 GAYUEPQKVFGRAM-UHFFFAOYSA-N 443.469 6.428 30 20 IKED C=CC[C@H](NC(=O)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1ccncc1 745825531 KGMCWQGXTFWSPZ-XUZZJYLKSA-N 449.938 5.212 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(Oc2ccccc2)ccn1 745947796 NUFLPUZNAGHLDM-MRXNPFEDSA-N 426.259 5.142 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc(-c2ccc(C)cc2C)nc1C 746415994 JUFPPPBYPJXFPV-NRFANRHFSA-N 445.588 5.821 30 20 IKED COc1ccc(/C=C(/Cl)c2nc(=O)c3ccc(Cl)cc3[nH]2)cc1OCCCC#N 747361682 WFEWAYHWIGVTIB-MHWRWJLKSA-N 430.291 5.005 30 20 IKED COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)Nc2cnn(CC#N)c2)cc1 747434795 SIOLMYIJXBUXBG-CYVLTUHYSA-N 449.514 5.093 30 20 IKED COc1cc(/C=C/C(=O)c2ccsc2)ccc1OCC(=O)Nc1ccccc1Cl 749105839 YXZHSGARNLGFJR-SOFGYWHQSA-N 427.909 5.324 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCC[C@@H]3C[C@H](O)c3cccs3)c2)s1 751097913 RSDVBBRLQPISKF-QUCCMNQESA-N 437.590 5.146 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1C#N 752191737 SXPBLYLNCVTGDK-UHFFFAOYSA-N 442.834 5.135 30 20 IKED N#CCn1c(C(=O)OCc2coc(-c3ccc(C(F)(F)F)cc3)n2)cc2ccccc21 756191165 RBWWLFUGYJIFQL-UHFFFAOYSA-N 425.366 5.196 30 20 IKED C/C(=C/c1ccccc1Cl)C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 756293348 WXVLYZZYUGGNSG-CNYBTUBUSA-N 428.941 5.177 30 20 IKED O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 762222395 LSLZNDYAMSJMNS-XFFZJAGNSA-N 439.705 5.629 30 20 IKED C=CCn1c(SC[C@@H](O)c2ccc(C#N)cc2)nc2sc(-c3ccccc3)cc2c1=O 763234030 YVNMMVSAFSLRQI-HXUWFJFHSA-N 445.569 5.008 30 20 IKED CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 764770629 RTDHKVJAZMYREH-DEOSSOPVSA-N 432.545 5.168 30 20 IKED COc1cccc([C@H](C#N)NC(=O)c2oc3ccccc3c2COc2ccccc2)c1OC 768153398 WAUBYYLVONYFES-NRFANRHFSA-N 442.471 5.024 30 20 IKED Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1 770097769 BIHSJXIFULGWKE-GOSISDBHSA-N 437.952 5.392 30 20 IKED C#CC[C@H](N[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21)c1ccccc1 773114853 KXKGCDHJZZTZFT-VMODYCNZSA-N 432.564 5.244 30 20 IKED Cn1cc(/C=C\C(=O)c2ccc(OC(F)F)cc2OC(F)F)c(-c2ccc(C#N)cc2)n1 777913334 UPJAKFGYJGVXAI-TWGQIWQCSA-N 445.372 5.058 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 778295212 QUVLNGXHEWOFGM-TVQRCGJNSA-N 440.878 5.305 30 20 IKED CCCOc1c(Cl)cc(C=Nn2c(S)nnc2CSc2ccccc2)cc1OC 782245390 MZALLFRWEIVJNM-UHFFFAOYSA-N 449.001 5.192 30 20 IKED N#Cc1cccc(COc2ccc(NCc3cncn3Cc3ccccc3)cc2Cl)c1 783565842 ZBDDVDJOZIOHCT-UHFFFAOYSA-N 428.923 5.648 30 20 IKED CCCc1c(NCc2ccc(NC(=O)OC(C)(C)C)nc2)cnn1-c1cccc(C#N)c1 784002196 AOVXJFHDMPOSFG-UHFFFAOYSA-N 432.528 5.051 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3cc(Br)cnc3Cl)c2)c1 787949284 DWUAVEVLGMECFB-UHFFFAOYSA-N 442.700 5.200 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccnc(Oc3ccc(F)cc3F)c2)c1 788744311 PWZKUMYMDAGQST-SFHVURJKSA-N 438.434 5.155 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cc(C#N)ccc1Cl 803130805 YEEHSVPGBMVOLD-FQEVSTJZSA-N 425.916 5.366 30 20 IKED CC(C)(C)OC(=O)N1CCCc2c(C(=O)Nc3cc(C#N)ccc3NC3CC3)cccc21 803319749 LTFBHMCVUHGIKO-UHFFFAOYSA-N 432.524 5.073 30 20 IKED CC(=O)N(c1ccc(NCc2cccc(OCc3ccccc3C#N)c2)cc1)[C@H]1C[C@H]1C 815164413 QQLGWFXLZCIPLQ-WINIVTDRSA-N 425.532 5.511 30 20 IKED C[C@@H](OC(=O)c1ccccc1Sc1ccccc1C#N)c1nc(-c2cccnc2)no1 817170178 BZVSTPCDVGMQDN-OAHLLOKOSA-N 428.473 5.072 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1 915087064 PQWIYVXJCHKJEQ-QFIPXVFZSA-N 443.959 6.300 30 20 IKED Cc1nc(SCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(C#N)c(C)c1C 915179273 BTZXWOCVANPXAH-QHCPKHFHSA-N 426.545 5.265 30 20 IKED O=C(Nc1ccc(-c2ccccc2)cc1F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 915350935 NCNYGRMOBQXSGC-GJZGRUSLSA-N 448.382 6.524 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC 915353129 LJKIOHRTAHOQMG-DNQXCXABSA-N 441.531 5.728 30 20 IKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NNc1ncnc2sccc12 916367901 BDNRUCNVVYEPGA-UHFFFAOYSA-N 436.850 5.304 30 20 IKED N#C[C@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1ccc2ccccc2n1 916848198 FFJWLGCYIAQXNW-QHCPKHFHSA-N 433.486 6.331 30 20 IKED Fc1ccccc1-c1nn(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(=S)o1 918735565 OYDFQMWKEWNECL-AOOOYVTPSA-N 429.361 5.032 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)CCc1ccc(-c2ccccc2)[nH]1 919981888 BKVRCRLLASGDBE-UHFFFAOYSA-N 439.309 5.253 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3occc3Br)cc2)CCC1 1788719372 ZAGGQVFJOGWDHD-AWEZNQCLSA-N 431.330 5.002 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CNc3ccc(F)cc3)CCC2)cc1 1789451293 FHVQFPVAPZQOSJ-QHCPKHFHSA-N 435.543 5.140 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc(F)c(F)c3Br)cc2)CCC1 1790744840 UQUBTXDDIZUXGI-UHFFFAOYSA-N 449.295 5.051 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3c3ccccc3)CCC2)cc1)C(F)(F)F 1791305159 BUZNURWFCXCGNH-PMACEKPBSA-N 428.454 5.043 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1ccccc1C 1796470520 JGFNGHLKWNPLCQ-KOUNCHBCSA-N 445.607 5.301 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)sc1Cl 1798982436 ICUHYXHZNGWFKE-XGUBFFRZSA-N 427.397 5.075 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)ccc2Cl)[nH]n1 1814828372 IUAHIBWZLBPCDX-HXUWFJFHSA-N 444.938 5.277 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCCCC2(F)F)n[nH]1 1815350870 LGRFJSULTCIGCL-FUHWJXTLSA-N 436.547 5.220 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ncccc23)n[nH]1 1818472484 YDALJPSAAIYLEF-WZONZLPQSA-N 443.551 5.032 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3occc3c2)[nH]n1 1819305687 NJGRQJIPBYATHG-PZJWPPBQSA-N 432.524 5.230 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(C)ccc3[nH]2)[nH]n1 1819554878 SKCWSPTUGZIFQH-JOCHJYFZSA-N 447.583 5.498 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)n[nH]1 1822015163 SNLIMLFLCCKEKB-JKBKZWBZSA-N 426.605 5.221 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sccc2OCC)CC1 1823646657 IYURWIWNXFCUCL-LEWJYISDSA-N 444.641 5.149 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc(C)cc(F)c2)CC1 1824144925 NEAAGKQVRNFGGI-VWLOTQADSA-N 440.603 5.065 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc(Cl)c2)CC1 1832627908 MCJYLZUDXPPEKO-DHIUTWEWSA-N 446.994 5.481 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(C)CCCCC3)CC2)c1 1832632660 AJPJCQWGBNUIAU-OFVILXPXSA-N 449.639 5.517 30 20 IKED CCc1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2ccccc2CC)cc1 10174254 QEIPARICJFVAIY-UHFFFAOYSA-O 434.541 5.058 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)n1 10992346 DRXNRCKIINGKKN-UHFFFAOYSA-N 444.360 5.642 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nc2ccccc2c1=O 15230984 WYSIOXFPSORIRH-LBPRGKRZSA-N 434.348 5.009 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2SC)nc2sc(C)c(C)c2c1=O 22055695 KDDZEZKAFPICMH-CQSZACIVSA-N 445.635 5.102 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cc(C)cc(C)c2)[n+]2ccc(N(C)C)cc2)cc1 22730222 DCKXKBPKXOFIHJ-UHFFFAOYSA-O 448.612 5.107 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(Cl)cc2Cl)ccc1O[C@H](C)C(=O)N(C)C 33469933 LRKMWQUIXUIRLR-LBIZBFCRSA-N 436.335 5.144 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(F)c(Cl)c2)cs1)c1ccc(F)cc1F 59270366 WMTRRXXFMUNIGY-QPJJXVBHSA-N 436.842 5.795 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1 72074644 YZJYIRVSRADNNV-QGZVFWFLSA-N 426.476 5.891 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1 303399280 QLJXLOBTJFEZRT-NRFANRHFSA-N 436.298 5.439 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@H](Cc3cccnc3)c3cccc(Cl)c3)ccc21 426036072 MDZNKBAZALPZOZ-XMMPIXPASA-N 444.966 5.714 30 20 IKED N#CCCn1ncc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1-c1ccccc1 428326339 JAURTJVIEGNKPC-UHFFFAOYSA-N 435.459 5.118 30 20 IKED C=CCn1c(SCCC(C#N)(c2ccccc2)c2ccccc2)nnc1-c1ccccn1 434650113 IRSNYJOZDMVSSV-UHFFFAOYSA-N 437.572 5.518 30 20 IKED CC(C)Sc1c(Cl)cccc1NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 438257270 IDULODHJCZWXFT-UHFFFAOYSA-N 428.989 5.062 30 20 IKED CCCc1c(NC(=O)c2occc2CSc2ccccc2)cnn1-c1cccc(C#N)c1 440083121 XKLHQXMGHUSNOI-UHFFFAOYSA-N 442.544 5.834 30 20 IKED Cn1ccnc1[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 445241409 WQTKJFMVMSICHS-KRWDZBQOSA-N 435.915 5.149 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc3c(c2)CCC3)cc1Cl 446437548 ANDWLAYKHJDOCD-JOCHJYFZSA-N 429.907 5.061 30 20 IKED C[C@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)c1ccccc1-c1ccc(Cl)cc1 462088813 OIIKGUSORPJGGX-INIZCTEOSA-N 442.910 5.342 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1F 462672934 DVHVHOBNRAVNKA-HYBUGGRVSA-N 431.467 5.531 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(Cl)cn4)cc3)cc2)nc1 464160905 QZRSDZOXUMITAR-UHFFFAOYSA-N 442.862 5.839 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3c[nH]nc3-c3cccc(Cl)c3)n2)cc1 464510700 LZFMYKXXQWMNGC-QGZVFWFLSA-N 429.892 5.215 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)Nc3ccccc3CCC(F)(F)F)s2)cc1 464902171 IXQVSZWKRXNQST-UHFFFAOYSA-N 430.455 5.744 30 20 IKED CC(C)(NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nc(C(F)(F)F)cs1 465321835 VUORBFAFSQRGRG-UHFFFAOYSA-N 445.466 5.278 30 20 IKED C[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(F)cc1F 466419659 PADXXPOJLLOMTQ-KRWDZBQOSA-N 437.465 5.491 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 467730238 CHQGISPANNTWPN-UHFFFAOYSA-N 437.995 5.124 30 20 IKED CC[C@@H]1CN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC[C@@H]1c1ccccc1 470547616 FLIICDDPZPJPDP-YKSBVNFPSA-N 444.579 5.317 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)[C@@H](C)c3ccc(Cl)c(Cl)c3)C2)n1 471292475 LOUFZPNQDAUUNW-MAUKXSAKSA-N 431.367 5.005 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 474271179 NQXJPEJTLYDVCY-LRDDRELGSA-N 430.348 5.154 30 20 IKED CCCC(C#N)(CCC)NC(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 475732082 GBECTABQOSCYFY-UHFFFAOYSA-N 435.612 5.112 30 20 IKED C[C@@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccc(-c2cccnc2)cc1 475942798 ULMZYUFIWDGQCO-PNEAOOGRSA-N 440.547 5.371 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccccc1CN1CCCC[C@H]1C 478842624 XRROLKFGBONNQZ-JOCHJYFZSA-N 437.632 5.126 30 20 IKED C[C@@H](N[C@H](c1ccccc1)c1nccs1)C(=O)Nc1sc2c(c1C#N)CCCCC2 479991445 HBVKKWPYPGYMCM-FOIQADDNSA-N 436.606 5.051 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nc(C)c(C)n1C1CCCCC1 480626322 YIBJFTLTRRZHTL-LJQANCHMSA-N 440.613 5.441 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1C 480828510 ODLJRMHLVQHAKF-UHFFFAOYSA-N 431.989 5.602 30 20 IKED CC(C)CN(C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@@H]1CCCc2cccnc21 481279365 UQAPWPGABLJIBZ-OAQYLSRUSA-N 448.958 5.360 30 20 IKED C=CCCCC(=O)Nc1c(-c2ccc(Cl)cc2)ncn1Cc1ccc(OC)c(OC)c1 482273406 YHTXXPNIDQJZBW-UHFFFAOYSA-N 439.943 5.564 30 20 IKED CCc1c(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cnn1-c1ccc(Cl)cc1 485347900 MVHFWLBSWAADFU-UHFFFAOYSA-N 431.927 5.281 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)NCc3nc(-c4ccccc4F)cs3)s2)cc1 486571018 BJSFLXNIPUEDTQ-UHFFFAOYSA-N 449.536 5.190 30 20 IKED Cc1ccc(-n2nc(C)c(CC(=O)N[C@H](C#N)c3ccc(Cl)cc3)c2C)cc1Cl 499863723 QWYVZPOZWPQLQH-OAQYLSRUSA-N 427.335 5.028 30 20 IKED CC(C)(C)CC(=O)Nc1ccc(CC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1 505308063 MGDALUZNGALHKZ-SFHVURJKSA-N 432.351 5.292 30 20 IKED N#C[C@H](NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1)c1ccccc1Cl 505641694 WVDZOSUPLRWXEL-KRWDZBQOSA-N 436.682 5.208 30 20 IKED N#C[C@@H](NC(=O)c1ccccc1CSc1nc2ccccc2o1)c1ccccc1Cl 505689646 IXOAECRSPYZIAN-HXUWFJFHSA-N 433.920 5.768 30 20 IKED CN(CCc1cccc2ccccc12)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 508252519 QLSFWRJQYHPOAW-UHFFFAOYSA-N 449.554 6.191 30 20 IKED COc1ccc([C@@H]2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)C2)cc1 508290369 RZFFCJGFYXMFAN-HXUWFJFHSA-N 443.503 5.389 30 20 IKED Cc1c(C#N)cccc1C(=O)N(Cc1ccccn1)Cc1ccc(Br)cc1F 509906324 XGZLPIWFNQJYIA-UHFFFAOYSA-N 438.300 5.006 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 510122690 AINBIGOBKOAMJC-SUMWQHHRSA-N 425.451 5.893 30 20 IKED N#Cc1c(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)sc2c1CCCCCC2 512323870 POTMELOZOJMLTR-UHFFFAOYSA-N 428.985 5.619 30 20 IKED Cc1nc(CSc2ccccc2C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cs1 513175921 MQDWIWHOOVXLII-MRXNPFEDSA-N 433.480 5.648 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1 513709021 AROWIONOJJTWNW-FQEVSTJZSA-N 436.298 5.439 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3COc3ccccc3)n2)cc1 516713685 HHBOHGRFMWXZEL-QHCPKHFHSA-N 440.524 5.888 30 20 IKED C[C@@H](Nc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1[N+](=O)[O-])c1ccccn1 517795707 LCKXZEPUWAXVLC-ZBFHGGJFSA-N 443.488 5.263 30 20 IKED COc1c(C)cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1C 518111879 BEBIFDGVBMYLJJ-UHFFFAOYSA-N 444.500 5.137 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1ccccc1SC[C@H](C)C#N 518140012 MYCRRKKANJYHOR-CYBMUJFWSA-N 427.982 6.276 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(I)c(F)c1 518239456 DVFXWXZCPXOKKE-NSHDSACASA-N 440.281 5.077 30 20 IKED CC(=O)Nc1cc(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)ccc1F 518516772 XPYFDLVHSIMOKV-QQYMGJJXSA-N 437.540 5.198 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1c(-n2cccc2)sc2c1CCSC2 518668477 FNJQQAJEQLDWQB-OAHLLOKOSA-N 439.631 5.832 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 519061626 YZDIYOWEOCMFMA-SFHVURJKSA-N 430.508 5.202 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1Cl 519319052 WRPHQZBFRQMZQW-HSZRJFAPSA-N 431.923 5.084 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2oc3ccccc3c2CSc2cccs2)nc2ccccc21 520077295 JVUBEOHDMGFPHQ-INIZCTEOSA-N 443.553 6.163 30 20 IKED Cc1cc(C)nc(Sc2ccc(NC(=O)CCCCOc3cccc(C#N)c3)cc2)n1 520322549 XVEPWXRKGMFCCA-UHFFFAOYSA-N 432.549 5.304 30 20 IKED CCCNC(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1Cl 521209046 OAIDCJLXMRKRBG-UHFFFAOYSA-N 426.948 5.042 30 20 IKED Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 522640476 KCEYWYCGIBVOPH-UHFFFAOYSA-N 447.922 5.703 30 20 IKED Cc1ccc(Nc2cccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2)nn1 523046882 PVRYIJKSDPUJMW-FQEVSTJZSA-N 436.500 5.014 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1 523404523 VJBPDMOSOOGYGG-QFIPXVFZSA-N 442.490 5.011 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)CCc2c(C)nn(CCC#N)c2C)cc1 525087670 ZIEWIPRTHKDUCW-FQEVSTJZSA-N 444.579 5.241 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](CN3CCCCC3)C2)cc1Cl 525841110 NDWXARBLJKNOIT-AUSIDOKSSA-N 436.987 5.335 30 20 IKED N#C[C@H](NC(=O)c1cc(-c2ccccn2)ccc1Cl)c1cccc(Br)c1 535021889 GSROTJIUNORFNC-IBGZPJMESA-N 426.701 5.159 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC(C)(C)c1ccccc1Br 537126031 UKFUOPTXHZWORP-HNNXBMFYSA-N 446.414 5.307 30 20 IKED CC(C)(C)OC(=O)c1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 539870014 AMEJDFYDWKPLPE-LJQANCHMSA-N 429.501 5.127 30 20 IKED Cc1cc(F)ccc1-n1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)n1 541200591 HKKUQHIRSXKRCI-AWEZNQCLSA-N 438.434 5.212 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3nccnc3Sc3ccccc3)n2)cc1 544152690 QNCKAYFRUUJMPG-GOSISDBHSA-N 444.541 5.250 30 20 IKED Cc1cccc(C)c1[C@@H](C)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 546201862 BQUBQJKTKRRXGA-XMSQKQJNSA-N 445.950 5.428 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(-c2nc(CC(=O)Nc3ccccc3Cl)no2)cc1 557967643 JVXNDGHTRLRVOU-UHFFFAOYSA-N 448.841 5.374 30 20 IKED Cc1sc(NC(=O)c2cc(C#N)ccc2Cl)nc1-c1ccc(Br)cc1 560579746 RKMUONITHXDKTJ-UHFFFAOYSA-N 432.730 5.658 30 20 IKED N#CC[C@@H](Cc1nc(C2(c3ccc(Br)s3)CCC2)no1)c1ccccc1 569341788 RUTYTEKWJWECLG-HNNXBMFYSA-N 428.355 5.604 30 20 IKED CCC(C)(C)NC(=O)c1ccc(NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1Cl 576246352 HUKAPHDHWYQLNW-UHFFFAOYSA-N 435.959 5.143 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)cc1C 576910549 UUFPPGSHOJBXOM-LJQANCHMSA-N 439.519 5.227 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 577133981 KZVPRTYDJQIJDC-HXUWFJFHSA-N 437.588 5.089 30 20 IKED N#Cc1ccc(C2(C(=O)N[C@H]3CCCc4c3[nH]c3ccc(Br)cc43)CC2)cc1 583530182 PAVRPFNWRBDELP-FQEVSTJZSA-N 434.337 5.027 30 20 IKED Cc1cccc(OC(F)F)c1NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 598198590 YUCSEZIKBJFSJZ-UWVGGRQHSA-N 434.327 5.627 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3c[nH]c4ccc(Br)cc34)s2)cc1 602228541 DVKSMYKNHNTFGT-UHFFFAOYSA-N 437.322 5.102 30 20 IKED C=CCN(C(=O)c1cc(SC)ccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603458944 SEQCZUFBVPSISX-UHFFFAOYSA-N 445.953 5.926 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cn2)cc1 603764850 OWVMZZUEARPZFJ-UHFFFAOYSA-N 448.507 6.021 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604505111 WAYMAHYQDWJSMG-IAGOWNOFSA-N 449.439 5.635 30 20 IKED COc1ccc(COCCCNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 608995466 SDLDCCREYLEIDN-UHFFFAOYSA-N 431.492 5.088 30 20 IKED Cc1nc(-c2ccc(CNC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cc2)cs1 609055427 DXJCMUCTTPXPFW-UHFFFAOYSA-N 429.501 5.092 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1nc(C)c(-c2ccccc2)o1 609297920 MQOLQQWFRFGZJE-UHFFFAOYSA-N 438.487 5.589 30 20 IKED COc1ccccc1-c1cc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)n[nH]1 609316345 SIJTUKRREDCRDX-UHFFFAOYSA-N 428.423 5.141 30 20 IKED CCOC(=O)c1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)o1 610629170 KRJGIEIQLFKHRX-LJQANCHMSA-N 437.883 5.087 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N(C)c2cccc(OC(F)(F)F)c2)c1C(F)F 676167960 CQCAALPTMOXDNZ-UHFFFAOYSA-N 431.283 5.035 30 20 IKED Cn1nc(C(F)F)c2cc(C(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)sc21 684205994 ZEBHRRJOCRNUSA-RNFRBKRXSA-N 449.367 5.212 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1ccccc1OC(F)F 728062519 LOLMEJIWRSORIC-MRXNPFEDSA-N 437.446 5.178 30 20 IKED CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 729552691 IMJDVWSLXVFLNI-WMZHIEFXSA-N 448.567 5.111 30 20 IKED N#C[C@@H](C(=O)CCCSc1ccc(Br)cc1)c1nc2cc(F)ccc2s1 731138500 UTXNUIUQDGJXOH-HNNXBMFYSA-N 449.370 5.947 30 20 IKED Cc1nn(-c2ccccc2)c2ncc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)cc12 731195273 DCWSZMNDGJMZEJ-LJQANCHMSA-N 436.302 5.030 30 20 IKED C[C@@H](C#N)Oc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(C(F)(F)F)c2)cc1 731300720 JKONXOZFIPPUJY-OYHNWAKOSA-N 437.421 5.767 30 20 IKED N#CCOc1ccc(COC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1 733403019 KYMODXBAXPQMLH-UHFFFAOYSA-N 428.366 5.152 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)OCc3nnc(-c4ccc(Cl)cc4)o3)c2)cc1 734321413 NYLNPXXDZRSDJA-UHFFFAOYSA-N 445.862 5.198 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1 734964915 FSYLMGLEUUUJBC-MELADBBJSA-N 449.309 6.375 30 20 IKED C=CC[C@H](C)NC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 735068128 TUWOUYZCLIQXHO-HNNXBMFYSA-N 427.620 5.650 30 20 IKED Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 735165997 WEEZXJUNBPCDMB-KRWDZBQOSA-N 448.906 5.805 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(OCc3ccccc3)cc2C)c1 735368292 NBGOVZDKQYHRAL-JOCHJYFZSA-N 429.520 5.577 30 20 IKED O=C1Nc2c(Br)cc(Cl)cc2C1=NNc1ccnc2cc(Cl)ccc12 735608513 CFPXWMWIUONDOR-UHFFFAOYSA-N 436.096 5.072 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)C[C@H](C)c2cccc(C(F)(F)F)c2)ccc1OC 737553126 KPVAVAZLINZVHN-HNAYVOBHSA-N 434.458 5.205 30 20 IKED O=C(/C=C/c1cc2ccccc2nc1N1CCOCC1)c1ccc(SCC(F)F)cc1 741842536 LWLBGNFUEWRYHD-JXMROGBWSA-N 440.515 5.325 30 20 IKED C=CCn1c(-c2cccc(C)c2)nn(CN2CC[C@H](COCc3ccccc3)C2)c1=S 742177545 VYXKDZPLRIQRST-QFIPXVFZSA-N 434.609 5.072 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 744029359 RLKDYABVNMAZPG-QFIPXVFZSA-N 442.559 6.330 30 20 IKED C[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1C(F)(F)F 744062198 SEXAJURTTXEDKV-KDOFPFPSSA-N 439.462 6.071 30 20 IKED CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 746199897 TZEOKXMDXWGVRM-UHFFFAOYSA-N 444.482 5.678 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)n1 747195880 AXBBHPWVGIWVPL-POQYLXETSA-N 441.984 5.191 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2cnc(-c3ccccc3Cl)s2)cc1C#N 752193392 FEWDJGNAEKKOFG-UHFFFAOYSA-N 426.885 5.156 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2cc3ccccc3cc2NC(=O)C(C)C)cc1C#N 752193504 GMQIIHQMEMMCOI-UHFFFAOYSA-N 444.491 5.127 30 20 IKED CCc1cccc(CC)c1-n1c(-c2cccnc2)nn(CN(C[C@@H](C)C#N)C2CC2)c1=S 753988063 MYVSJCIRVNXJBV-SFHVURJKSA-N 446.624 5.172 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 755536369 OBWLENKRVILCIV-UHFFFAOYSA-N 444.491 5.274 30 20 IKED CC[C@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC[C@@H]1NC(=O)OC(C)(C)C 757388812 RRFJMGYBBNYFLT-CVDCTZTESA-N 449.551 5.116 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)ccc1OC 760150565 VYOLLZLRIUFEAW-SFHVURJKSA-N 449.473 5.538 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 762763933 QYVNZZYUJSPQFM-ADHNFCLRSA-N 427.589 5.025 30 20 IKED COC(=O)C(C)(C)[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 765907426 IUVJACDVTGILAU-ZEQRLZLVSA-N 441.531 5.404 30 20 IKED C=CCCC(=O)Nc1ccc(COC(=O)C2(c3ccccc3Cl)CCOCC2)cc1 774576994 IMNAPBFKILUPJC-UHFFFAOYSA-N 427.928 5.036 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCSCc2ccnc(Cl)c2)cc1 779598950 UIPAOSCNXBBTNB-OAQYLSRUSA-N 436.968 5.445 30 20 IKED CC(C)(C)OC(=O)NCc1cc(NC(=O)c2ccc(CC#N)cc2)cc(C(F)(F)F)c1 785435069 OFBZOOFGFQVDTF-UHFFFAOYSA-N 433.430 5.048 30 20 IKED CC(C)c1cc(C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nn1C(C)(C)C 787050792 MDMCRUMDQUPTMV-XJKSGUPXSA-N 449.382 5.268 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl 789719483 QVTKZQCJLFGGTA-UHFFFAOYSA-N 449.016 5.475 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNCc2ccc(Br)cc2C(F)(F)F)c1 792983444 ARSAVOAGTPZIGY-INIZCTEOSA-N 427.264 5.439 30 20 IKED C=CCOc1ccc(/C=C2/SC(=S)N(CCSc3ccccc3)C2=O)cc1OC 799200754 JZTGZRRSVXFJKP-HMMYKYKNSA-N 443.615 5.254 30 20 IKED CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1 799781168 NOMQUHOZXBXGAH-LJQANCHMSA-N 449.551 5.118 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 800576235 FBGHOEAZYHSILP-JOCHJYFZSA-N 427.589 5.449 30 20 IKED O=C(/C=C/c1cccc(NC(=O)C(F)(F)F)c1)c1ccc(-c2ccc(C(=O)O)o2)cc1 810237462 SSVFLCHNKGKRLQ-RUDMXATFSA-N 429.350 5.042 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1 810370652 JNCYPRCGIMMGAP-CQSZACIVSA-N 431.583 5.766 30 20 IKED COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3ccc(Br)nc3)c2)cc1 811697966 WNSZVVUJPLGPMI-VZUCSPMQSA-N 437.293 5.001 30 20 IKED Cc1csc(SCc2ccccc2C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)n1 813215353 XIHCAMKUCWHIAQ-MRXNPFEDSA-N 433.480 5.648 30 20 IKED Cc1nc(C)c2c(C)c(C=Nn3c(S)nnc3Cc3cccc4ccccc34)sc2n1 874060712 JOCSLIFRNBCMNI-UHFFFAOYSA-N 444.589 5.123 30 20 IKED CCCOc1c(Cl)cc(C=NOCc2nnc(-c3ccc(C)cc3)o2)cc1OCC 914683997 WERPISQDTORJPK-UHFFFAOYSA-N 429.904 5.437 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1 915098602 YSSNLTVBKNLYQS-DYVFJYSZSA-N 444.343 5.084 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ncc(-c4ccc(F)cc4F)o3)n2)cc1 915099763 AHHVBXPEOBOECC-SFHVURJKSA-N 449.482 5.861 30 20 IKED N#Cc1ccc(OCCCSc2nnc(COc3ccccc3Cl)n2C2CC2)cc1 915791636 TUJYWWIGVJKGQO-UHFFFAOYSA-N 440.956 5.278 30 20 IKED CCC(C)(C)NC(=O)c1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1Cl 917760490 CYSQJXMQIDWFSX-UHFFFAOYSA-N 438.915 5.075 30 20 IKED O=C(c1ccc(SC(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 918669371 CUAVYSATPURXMI-UWVGGRQHSA-N 425.316 5.501 30 20 IKED Cc1ccc(-c2cnc(CCC(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)o2)cc1 920142922 XPPJJHNNOSPVMZ-FQEVSTJZSA-N 438.512 5.454 30 20 IKED N#C[C@@H](C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)c1nc(-c2ccncc2)cs1 920264973 GTYXXVMNKWKGRY-WPGJWXSHSA-N 431.517 5.962 30 20 IKED Cc1cc(/C=C\C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c(C)n1C1CCCCC1 920265828 VFYZXOXGFBXSEJ-BVGULUMVSA-N 430.577 6.018 30 20 IKED COc1cc(C=NN[C@H](C)c2ccccc2)ccc1OCC(=O)Nc1ccccc1Cl 920385933 LGQXQYXTICPODN-QGZVFWFLSA-N 437.927 5.051 30 20 IKED N#Cc1ccc(NC(=S)/C(=C(/O)c2cccs2)[n+]2cccc(O)c2Cl)cc1Cl 1116090127 FSFKGXNCHYSPDE-UHFFFAOYSA-O 449.364 5.243 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CCCCCC(=O)OC)CCC2)cc1 1786104377 PQBHVEHQFDPTPR-UHFFFAOYSA-N 440.584 5.012 30 20 IKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)o1 1786491534 BYDKXUKTTBNYRH-UHFFFAOYSA-N 436.628 5.387 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CC=CCC4)CCC3)cc2)c1 1792123035 HJHDOEVTWZDIOG-WOJBJXKFSA-N 427.548 5.418 30 20 IKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)CCc4ccccc4Cl)CCC3)cc2)CCC1 1792229724 WDQDOPFTLXNREX-UHFFFAOYSA-N 435.955 5.101 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c3c(Cl)cccc13)C2 1792572685 PDWLPXQEYIUIDF-BJWYYQGGSA-N 427.976 5.066 30 20 IKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c2ccccc2n2ccsc12 1799129971 WVTAOLGVKIDKGH-ACDBMABISA-N 447.604 5.174 30 20 IKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)Cc4ccc(CCCCC)cc4)CC3)C2)C1 1804788467 QIBRAFAJJZGORW-UHFFFAOYSA-N 436.640 5.159 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)CCC4CCCC4)C3)CC2)c1 1808953879 LDWUDRGLNISAJX-NRFANRHFSA-N 435.612 5.129 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2cccc(C)c2)[C@H]1c1cccnc1 1810493326 XPJLFXRIJLUKEA-RSXGOPAZSA-N 447.623 5.021 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CSC2CCCC2)[nH]n1 1814440486 SWASMUFUJWUDEK-IBGZPJMESA-N 432.634 5.070 30 20 IKED CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)CCCC1 1814529095 OBIBYYNWNQVIMN-FQEVSTJZSA-N 442.680 5.033 30 20 IKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)Sc2cccs2)CC1 1828779308 ONSHLRUJADSUGM-PZJWPPBQSA-N 446.682 5.042 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sccc2OCC)CC1 1828823304 DOXBJKNJKQUWAP-SFTDATJTSA-N 444.641 5.149 30 20 IKED C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)Nc1ccccc1C#N 8755534 CMFCCWJGLDPQSK-KRWDZBQOSA-N 425.513 6.000 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@H](c2ccc(Cl)cc2)C(C)C)n(Cc2ccco2)c1C 10138631 UKDNCBMEZWDRHW-QHCPKHFHSA-N 438.959 5.197 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10760395 LLDKWYWGXVRFOJ-UHFFFAOYSA-O 444.983 5.335 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)c2cccc(Cl)c2Cl)n(C2CCCC2)c1C 12259753 UJRGACNWVPCSSI-UHFFFAOYSA-N 434.323 5.194 30 20 IKED Cc1ccc(/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc(Oc4ccccc4)cc3)S2)cc1F 16939158 KXKCNNHJJQLALI-NRFANRHFSA-N 449.507 5.174 30 20 IKED C=CCn1c(SCC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nnc1-c1cccc(C)c1 18771182 KVYHXMDJNUAIQT-UHFFFAOYSA-N 448.592 5.399 30 20 IKED C=CCn1c(SCc2csc(-c3ccc(OCC)c(OC)c3)n2)nnc1C1CC1 22150144 GVLUNSHIFVUTNL-UHFFFAOYSA-N 428.583 5.165 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N(CC)c2ccccc2)nnc1-c1ccc(Cl)cc1 23935989 FWTOTMBLQIJQBE-MRXNPFEDSA-N 426.973 5.318 30 20 IKED C=CCn1c(SC[C@@H](O)Cn2c3ccccc3c3ccccc32)nnc1-c1ccoc1C 25767489 URNHRCHOFIOMEW-SFHVURJKSA-N 444.560 5.294 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(C(=O)Nc3cccnc3)cc2)cc1 32166154 LNILHYDSERNQJG-UHFFFAOYSA-N 448.482 5.037 30 20 IKED COc1ccc([C@@H](Cc2ccccc2C)NC(=O)Nc2ccc(CC#N)cc2)cc1OC 65359347 ZQRUJKOKXRFXCA-HSZRJFAPSA-N 429.520 5.184 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)c1nc(C(C)(C)C)no1 97111984 HHDWZEVBVMSEJA-CYBMUJFWSA-N 433.965 5.230 30 20 IKED N#CCCn1cc(C(=O)COC(=O)CCc2ccc(-c3ccccc3F)o2)c2ccccc21 105201654 GGXGNYKYPYHYAL-UHFFFAOYSA-N 444.462 5.313 30 20 IKED O=C(/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1cccc(N2CCOC2=O)c1 214907001 XFDUFMVCQQPHJK-GHXNOFRVSA-N 446.890 5.445 30 20 IKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccco2)c1 255144469 GBWUSIYCBVVGMN-QFIPXVFZSA-N 447.560 5.365 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 303396842 ZCUQAVOEDSIAGL-VQIMIIECSA-N 434.521 5.057 30 20 IKED Cc1nc(C)n(Cc2cccc(NC(=O)c3ccccc3Sc3ccccc3C#N)c2)n1 427128713 OZENSCKLLFMGPO-UHFFFAOYSA-N 439.544 5.218 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(c2nc(C(=O)OCC)cs2)CC1 429624790 VBOJMQNRTZPOAJ-UHFFFAOYSA-N 441.597 5.583 30 20 IKED C[C@H]1CCC[C@@H](OCc2cccc(NCc3cn(CCC#N)nc3-c3ccncc3)c2)C1 433338952 JHRUYODRSWWVBR-NBGIEHNGSA-N 429.568 5.566 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)cc1 436349223 BSNUJOIAWPEZQB-AUSIDOKSSA-N 433.458 5.287 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1F 437466020 HIEZQUXQDZBIML-UHFFFAOYSA-N 429.495 5.340 30 20 IKED Cn1ccnc1SCc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)o1 437491642 PORLQOVHIQLVPB-UHFFFAOYSA-N 448.479 5.361 30 20 IKED N#CCC[C@H](NC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 438862130 IWWQHZXSYXBCML-QFIPXVFZSA-N 445.394 5.302 30 20 IKED CSCc1ccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 439559893 HBIKNAPKSNDYPY-OAQYLSRUSA-N 449.963 5.436 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)C(=O)Nc2csc3ccccc23)cc1 440502914 SORSFLZJTYPCHD-UHFFFAOYSA-N 441.512 5.124 30 20 IKED CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 443986496 HJSNVTXMSLRJMF-UHFFFAOYSA-N 436.512 5.686 30 20 IKED Cc1sc(CCNC(=O)c2cn(CCCC#N)c3ccccc23)nc1-c1ccccc1 444252582 XKINKDUYCGISNI-UHFFFAOYSA-N 428.561 5.350 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2cc(C3CC3)nc3ccc(C)cc23)c1C#N 445567802 UKAAOYVZVMLJIL-UHFFFAOYSA-N 439.544 5.452 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C)n(Cc4ccncc4)c3C)n2)cc1 460376522 UKDGEYRGSCLWCC-JOCHJYFZSA-N 426.545 5.470 30 20 IKED CN1CCC[C@H](CNCc2cccc(OCc3ccccc3C#N)c2)[C@H]1c1cccs1 462719755 SHMIPPITLJZTCE-GJZUVCINSA-N 431.605 5.371 30 20 IKED CCc1ccc([C@H](COC)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)o1 466069684 RREJFPVRMXIJST-UNMCSNQZSA-N 437.927 5.660 30 20 IKED Cc1ccccc1O[C@@H](C)CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 466170615 SZKHYLFEXXSMEF-FQEVSTJZSA-N 429.520 5.229 30 20 IKED C=CCN(Cc1cccs1)C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 467044777 KBVKRSBJBWUJMK-UHFFFAOYSA-N 437.512 5.788 30 20 IKED COCCN(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@@H](C)c1cccc(C(F)(F)F)c1 469135558 XVJJTBAGLUWTLU-HNNXBMFYSA-N 443.425 5.082 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2nnc(-c3ccccc3)s2)cc1F 470593584 CHDKTLAYMNPVIS-UHFFFAOYSA-N 445.479 5.330 30 20 IKED N#CC[C@H](CC(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccccc1 474905254 JJQCQPZEQHZFKX-ZJSXRUAMSA-N 426.495 5.120 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 475571285 LEJSTHLVGMPCDD-NRFANRHFSA-N 443.385 5.906 30 20 IKED N#CC[C@@H](CC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccccc1 476896146 ZZHJFYCXFZBDTO-FUHWJXTLSA-N 428.376 5.903 30 20 IKED Cn1c(CC#N)nnc1Sc1nc(/C=C/c2ccccc2)nc2sc3c(c12)CCCC3 480831326 VYERILQQUHIHCX-VAWYXSNFSA-N 444.589 5.086 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(OC)c(OC)cc1Br 480833611 ZCZVAJSUDFSELQ-UHFFFAOYSA-N 445.766 5.401 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ccc(Br)cc2)s1)c1cnc2ccccc2n1 483189699 CBNODHHFOQIXIE-OAHLLOKOSA-N 434.318 5.611 30 20 IKED CCc1onc(-c2ccc(Br)cc2)c1C(=O)[C@@H](C#N)c1cnc2ccccc2n1 483987258 OLRIYBRPUHIEFN-HNNXBMFYSA-N 447.292 5.100 30 20 IKED C=CCSc1ccccc1C(=O)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 486229195 RBTDSANVSRCHBB-UHFFFAOYSA-N 434.605 5.008 30 20 IKED CC(C)c1ccc(Sc2ccc(NC(=O)C(=O)NCc3cccc(C#N)c3)cc2)cc1 491562373 FABVHMGJBHGMPY-UHFFFAOYSA-N 429.545 5.088 30 20 IKED C[C@@H](CCCC(F)(F)F)NC(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 494595629 OEHATOKOUUDXDZ-QMMMGPOBSA-N 432.315 5.460 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NC(=O)NC3(c4cccc(C#N)c4)CC3)s2)cc1 497413930 CFSGELBQGOAWEH-INIZCTEOSA-N 432.549 5.048 30 20 IKED C=CCN(C(=O)c1cccc([C@H]2CCCOC2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 499129757 GKGSENMTMJSUBC-FQEVSTJZSA-N 449.532 5.445 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 500913780 CPTFOGMMFFBARA-LJQANCHMSA-N 426.458 5.385 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(OCc3ccccc3F)cc2)cc1 502418332 UTHIKJXYOFFBIO-UHFFFAOYSA-N 434.471 5.356 30 20 IKED N#CCCN(Cc1ccco1)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 502567045 AEMPSIMQVAWDEH-UHFFFAOYSA-N 438.871 5.009 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(Cn2cccn2)cc1 502584638 KJRPJNQAFJHIAZ-UHFFFAOYSA-N 443.320 5.053 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)NCc2ccc(Oc3ccccc3)nc2)cc1 503481685 BJAWNJGHBUHEPW-UHFFFAOYSA-N 435.483 5.255 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21 505107390 JDXJPQVVPYFZEP-QHCPKHFHSA-N 442.515 5.033 30 20 IKED CCOc1cc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc(OCC)c1OCC 505329273 CBENTGQLOIGSCG-MRXNPFEDSA-N 437.323 5.184 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 506501531 XJUYRMQPUNSLAL-UHFFFAOYSA-N 438.531 5.205 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1 508449656 LYOWBNRELHHELQ-UHFFFAOYSA-N 446.478 5.185 30 20 IKED CN(Cc1nccn1C(F)F)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510055940 MRAUDMUVZYGVFS-QGZVFWFLSA-N 429.858 5.251 30 20 IKED C[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)N(c1nccs1)C1CCCCC1 510211387 SETCQXGTFXTEQB-QGZVFWFLSA-N 448.617 5.923 30 20 IKED CC(C)NC(=O)Nc1ccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 510658188 NLLQHDXHRINXDG-UHFFFAOYSA-N 443.507 5.202 30 20 IKED CCN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 510670716 XFMGPXSQIKBHBE-OAQYLSRUSA-N 429.476 5.044 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](CC(F)(F)F)c1ccccc1 510673511 CVWAHDXTROMWIG-JOCHJYFZSA-N 439.437 6.474 30 20 IKED Cc1cc(OC(F)F)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)s1 510838880 VQDAJFMMCHQDHJ-UHFFFAOYSA-N 428.460 5.669 30 20 IKED CC(C)CCSc1ccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] 513191459 NFEMJTWKUYDQHW-HNNXBMFYSA-N 437.443 5.637 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 513574832 ZMFCAPQPNCGMSY-UHFFFAOYSA-N 442.469 5.369 30 20 IKED CC[C@@H]1C[C@H](CC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)CCO1 513674231 DKZCXWBRPSSCQZ-CZUORRHYSA-N 437.487 5.158 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 517518039 OYORADPDMKSKMR-HOTGVXAUSA-N 448.514 5.350 30 20 IKED CC(C)CC(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 517533174 UIMSVJPOQFRSEK-UHFFFAOYSA-N 442.519 5.657 30 20 IKED CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)s1 518042816 VQTCYNVFLPHTPK-FQEVSTJZSA-N 444.516 5.376 30 20 IKED COc1cc(CCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc(OC)c1 518668676 LIQAOTOQMJWOMQ-UHFFFAOYSA-N 438.471 5.300 30 20 IKED CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)CC[C@H]1C(F)(F)F 519605506 MLOAJLKFDXAIIB-GOSISDBHSA-N 445.514 5.341 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCCNc2ccccn2)cc1Cl 520589189 SJJPLCICYJORIR-OAQYLSRUSA-N 433.943 5.404 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCc2ccc3ccccc3n2)cc1 523217959 LELAPOBQYARHSF-UHFFFAOYSA-N 438.506 5.200 30 20 IKED Cc1nc2c(s1)[C@H](N(C)C(=O)c1cccc(Oc3ccc(Cl)cc3C#N)c1)CCC2 523889977 JQKHPMKPYWODGK-HXUWFJFHSA-N 437.952 5.919 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(C(F)(F)F)nc3)cc2Cl)c1 524390503 PLPYZRBZESTGMM-UHFFFAOYSA-N 431.801 5.457 30 20 IKED CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)C1 524832817 IIFTWBBVGRMONC-HXUWFJFHSA-N 437.971 5.030 30 20 IKED COc1cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)ccc1NC(C)=O 536421547 QHGXMSJJNYOXQK-UHFFFAOYSA-N 435.867 5.223 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1ccc(F)cc1F)C(C)(C)C 537124940 OJCNCVQWGCALKA-IVZQSRNASA-N 431.552 5.675 30 20 IKED COc1cc([C@@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)ccc1OCc1ccncc1 538153141 NARSSMIDNZTXEA-GOSISDBHSA-N 440.465 5.390 30 20 IKED Cc1ccc([C@@H](NC(=O)Nc2cc(C)n(CCC#N)n2)c2ccc(F)cc2Cl)cc1 539718342 VFMYDUURRJKSBT-OAQYLSRUSA-N 425.895 5.117 30 20 IKED CCCc1c(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cnn1-c1cccc(F)c1 541505795 HIWRQRYXCGLJQK-JTHBVZDNSA-N 431.515 5.268 30 20 IKED C[C@@H](NC(=O)CCc1nc(-c2ccsc2)no1)c1ccc(-c2cccc(C#N)c2)cc1 542039284 ADUAAJVWDGTMLL-MRXNPFEDSA-N 428.517 5.147 30 20 IKED O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 542568119 DXTSFIAYSLTBNL-IRXDYDNUSA-N 435.339 5.513 30 20 IKED Fc1ccc([C@H](NCc2cnn(CC(F)(F)F)c2)c2ccc(C(F)(F)F)cc2)cc1 542834793 VCWSOLDTKDGODN-GOSISDBHSA-N 431.355 5.483 30 20 IKED CCN(CC)C(=O)Nc1ccc([C@@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 542996149 VZYVYIPWSSWXOY-LEWJYISDSA-N 440.591 6.511 30 20 IKED COC(=O)[C@H](N[C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C)c1cccc(C#N)c1 544487427 VATYHVQIFUUGHI-BFUOFWGJSA-N 425.941 5.209 30 20 IKED C=CCOc1ccc(/C=C/c2nc(-c3ccc(C(=O)N4CCC[C@H]4C)cc3)no2)cc1OC 545143123 ICNVHYCTUQJVLL-ODHXBGJQSA-N 445.519 5.105 30 20 IKED Cc1c(Cl)cccc1NC(=O)CCNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 549257668 RHNLKDNSSFILKO-UHFFFAOYSA-N 448.910 5.463 30 20 IKED N#Cc1cccc(-c2cc(C(=O)N3CCC[C@H](c4cccc(C(F)(F)F)c4)C3)on2)c1 552791067 FENGWUXFNPGFGH-SFHVURJKSA-N 425.410 5.252 30 20 IKED CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1SC[C@@H](C)C#N 553404215 SQOVNLVMWVYQHQ-INIZCTEOSA-N 435.515 6.400 30 20 IKED CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 554827227 ABCSDATTXKQVSK-UHFFFAOYSA-N 431.517 5.073 30 20 IKED Cc1c(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)sc2ccc(C#N)cc12 559356818 APBQKPFKRQTOSG-UHFFFAOYSA-N 432.549 5.742 30 20 IKED N#Cc1ccc(N2CC[C@H](C(=O)Nc3cccc(Cl)c3Oc3cccnc3)C2)c(F)c1 561088119 OURHFPXTLXRPIQ-INIZCTEOSA-N 436.874 5.003 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1 562908310 VWKQJZHXFBGHOO-UNMCSNQZSA-N 436.625 5.505 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1)C(C)C 565333856 DAMLNIHIHYUJOA-UHFFFAOYSA-N 443.507 5.146 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3OC(F)(F)F)cc2)ccn1 568456067 OAHTXZBTDPZDAY-WOJBJXKFSA-N 439.393 5.386 30 20 IKED N#CCC1CCN(c2nnc(-c3cccc(C(F)(F)F)c3)n2CCc2ccccc2)CC1 568487329 BVKUJSYMAZYTSS-UHFFFAOYSA-N 439.485 5.337 30 20 IKED CC(C)c1oc([C@H]2CCCN2S(=O)(=O)Cc2ccc(C#N)cc2)nc1-c1ccccc1 570123432 RXVXDLXMAITPTQ-OAQYLSRUSA-N 435.549 5.004 30 20 IKED CCOc1cc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc(OCC)c1OCC 581915423 ARMSZZNFYZGELD-UHFFFAOYSA-N 447.491 5.194 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccc5c(c4)OCO5)n3)n2)cc1 588349011 OAUAAHKPTDJGSA-INIZCTEOSA-N 445.525 5.461 30 20 IKED CCCn1c(SCCC(=O)Nc2ccccc2C#N)nnc1-c1ccc(Cl)cc1 589892193 QTGWVMMAHPGZJZ-UHFFFAOYSA-N 425.945 5.001 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC(F)(c4ccccc4F)C3)c2)cc1 590106316 QMDUJWFDXUOBSX-UHFFFAOYSA-N 433.458 5.183 30 20 IKED CN(C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c1)c1ccccc1 592974802 ZOCLNMJPJWNSHW-LJQANCHMSA-N 429.476 5.202 30 20 IKED COCCOc1c(Cl)cccc1N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 604469079 BNBPVDGUEDWOOG-CQSZACIVSA-N 447.988 5.006 30 20 IKED CC(C)CC(=O)N[C@H](C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccccc1 608958985 CZNNYOFILFCZKZ-VWLOTQADSA-N 427.504 5.193 30 20 IKED COc1cccc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 609080642 QRLLNSFGXXRGSV-UHFFFAOYSA-N 435.911 5.463 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccc(F)c(C#N)c2)c(OC)c1 609102708 QVVAMKPGFWZPQR-UHFFFAOYSA-N 443.478 5.434 30 20 IKED COc1ccc2c(-c3ccccc3)c(C(=O)Nc3ccccc3SC[C@@H](C)C#N)oc2c1 609376657 GBXXWMOLRJBSHZ-KRWDZBQOSA-N 442.540 6.612 30 20 IKED N#CCc1cccc(C(=O)N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c1 609446762 QLMCTOCJEZTXLT-RUZDIDTESA-N 444.579 5.082 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(COC2CCOCC2)c1 609555733 CTAFKPDMYUXUBN-GOSISDBHSA-N 439.581 5.098 30 20 IKED C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1cccc(C#N)c1 610359688 OECVXHANDCQBDA-CQSZACIVSA-N 426.451 5.269 30 20 IKED CC(C)N(CCc1nccs1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 611093965 RUKWCJDQSFIANT-FQEVSTJZSA-N 438.984 5.937 30 20 IKED CCN1CC[C@H](NC(=O)c2c(Cl)cc(C#N)cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 611357498 SJFKETBGGYPGCC-PKOBYXMFSA-N 440.733 5.223 30 20 IKED O=C(Nc1ccc(OC(F)F)c(F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 613075372 HBYQFLWGJRCBFT-HTQZYQBOSA-N 438.290 5.458 30 20 IKED CCN(C(=O)Cc1ccc(NC(=O)NCc2ccc(C#N)c(Cl)c2)cc1)c1ccccc1 619787433 MVLZXYIGNARYLX-UHFFFAOYSA-N 446.938 5.129 30 20 IKED C=CCn1c(S[C@H](C(=O)N(C)C2CCCCC2)C(C)C)nnc1-c1ccccc1OC 639429118 BREMTLNIZDOSDJ-NRFANRHFSA-N 442.629 5.048 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 669817496 IRYTZBVLLBMERT-MRXNPFEDSA-N 449.942 5.318 30 20 IKED O=C(c1cc2ccccc2cc1OC(F)F)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 677767704 NAHGYTLMNHIGJZ-STQMWFEESA-N 427.291 5.254 30 20 IKED C=CCCC[C@@H](C)NC(=O)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 678909044 CRCGACKNWGQFQP-QPPBQGQZSA-N 440.632 5.630 30 20 IKED N#C[C@@H](C(=O)c1ncoc1-c1ccc(F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 681173565 HFASUGNFDPIRNA-ZDUSSCGKSA-N 431.370 5.599 30 20 IKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1C1CCCC1)c1cccs1 726419661 GHVIQJSYRIHEJG-CJCAPXLESA-N 427.595 5.081 30 20 IKED C=CCCC(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 726521701 NVBRDLMDZGZLII-UHFFFAOYSA-N 447.988 5.036 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(CC)cc2)[n+]2ccc3c(c2)CCCC3)c1 726573857 TXQMAWXKTUCEDY-UHFFFAOYSA-O 439.604 5.720 30 20 IKED CCOc1ccc(OCC)c(NC(=S)N(Cc2ccc(C#N)cc2)CC(F)(F)F)c1 726900810 KQGCPZOWKBEDQB-UHFFFAOYSA-N 437.487 5.117 30 20 IKED CCN(C[C@H](C)C#N)Cn1nc(-c2ccc(OC)cc2)n(-c2ccc(Cl)cc2)c1=S 726964291 YYQHJKZPDFQSRA-MRXNPFEDSA-N 441.988 5.171 30 20 IKED N#C[C@@H](C(=O)CCc1cccc(OC2CCCC2)c1)C(=O)Nc1ccc(Cl)cc1Cl 727953310 DSDFGIUEJMQVFL-IBGZPJMESA-N 445.346 5.595 30 20 IKED Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c(F)c1 730376098 RMSRSGDQFNXGAL-OAHLLOKOSA-N 436.414 5.121 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)s1 730953847 WMJFMPAEZVVUTA-CQSZACIVSA-N 426.592 5.330 30 20 IKED Cc1nn(-c2ccccc2)c2ncc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)cc12 731645315 JBVWGXBROQZNFF-FQEVSTJZSA-N 436.302 5.030 30 20 IKED CCCOc1nc2ccccc2cc1/C=C/C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl 731768252 FOUMUAWFODXYAB-IENJSVCTSA-N 433.895 5.038 30 20 IKED CC(C)(C)OC(=O)NC1CCC(=NNC(=S)Nc2ccc(Cl)c(Cl)c2)CC1 731924505 IVVYXIOANOUDLH-UHFFFAOYSA-N 431.389 5.103 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC2(N3CCSCC3)CCCCC2)cc1 732696574 JRUYYPJYDUCHDA-XMMPIXPASA-N 448.636 5.215 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2SC2CCCC2)ccc1OC 733619565 BEFKWSGRMBTWDL-SFHVURJKSA-N 439.581 5.733 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C)cc3OC)nc2)c1 733843998 XORVHZPUAUOSSN-FQEVSTJZSA-N 446.507 5.194 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(CCc2ccccc2)Cc2ccc(C)s2)c1 733851678 GZGWUKMTPOTREU-QHCPKHFHSA-N 447.604 5.692 30 20 IKED C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1nc2ccccc2s1 734218008 FTUXAIDKBWUOGU-KRWDZBQOSA-N 444.535 5.780 30 20 IKED CCN(CC)c1ccc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1F 739400525 PBJLYMGEFAHANT-UHFFFAOYSA-N 434.540 5.301 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)NCc3cc(Br)cs3)c2)s1 740031461 NNACPECWGCVTKG-UHFFFAOYSA-N 432.368 5.110 30 20 IKED CCCCCCn1c(SCc2nnc(-c3cccc(C#N)c3)o2)nc2ccccc2c1=O 741846152 BXOALHUHNILHJO-UHFFFAOYSA-N 445.548 5.191 30 20 IKED CC(C)N(CC(F)(F)F)C(=O)CNc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 742261850 OYFRRIPTZYVJNB-UHFFFAOYSA-N 439.865 5.002 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N(Cc3ccco3)Cc3ccccc3O)cc2)cc1 743431561 WBORKEQRGHYSOF-UHFFFAOYSA-N 438.483 5.686 30 20 IKED CC(C)(C)c1ccc(-c2ccc(C(=O)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)o2)cc1 743734200 FGVBZIHJXPXVOA-UHFFFAOYSA-N 443.547 5.329 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1ccc2ccccc2n1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 744015452 RNZVKLXYFXGCEJ-WGGBDISSSA-N 429.520 5.313 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H](C)c2ccc(Br)s2)cc1 744029047 QALHVTYATXCWFK-CJNGLKHVSA-N 433.371 5.304 30 20 IKED C=CCn1c(C2CC2)nn(CN(Cc2cc(Br)ccc2F)C2CC2)c1=S 746710102 VNTUQPTURUJNFP-UHFFFAOYSA-N 437.382 5.001 30 20 IKED C=CCc1cc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(C)cc3)s2)cc(OC)c1O 747063348 IHEPDNGAPMUJCC-GZTJUZNOSA-N 441.940 5.278 30 20 IKED CCCCCCNC(=O)[C@H](C#N)C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 747111978 JHNZEKNXIYNBOM-MRXNPFEDSA-N 438.380 5.065 30 20 IKED N#Cc1cccc(COc2ccc(NCc3ccc(C(=O)N4CCCC4)cc3)cc2Cl)c1 749269687 JTBDIKZDRQLZPK-UHFFFAOYSA-N 445.950 5.639 30 20 IKED C=CC[C@H](NC(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1)c1ccncc1 753637513 LYDPMHPOPMZQEV-UGKGYDQZSA-N 437.588 5.184 30 20 IKED Cc1ccc(-c2nc(C=Nn3c(S)nnc3COc3ccc(C(C)C)cc3)co2)cc1 755607800 FQZSXEIOGZXZAP-UHFFFAOYSA-N 433.537 5.115 30 20 IKED N#Cc1ccc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)cc1C(F)(F)F 757229760 IZIOOHLEHHRZHF-HXUWFJFHSA-N 445.466 5.406 30 20 IKED C=CCn1c(SC[C@H](O)c2ccc(Cl)cc2Cl)nnc1-c1ccccc1OC 759065317 RRPQIPGWRPKRSI-KRWDZBQOSA-N 436.364 5.272 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCn3ccc4cc(Cl)ccc43)n2)cc1 759269310 QLLYDSOXPUKLFA-LJQANCHMSA-N 430.920 5.556 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)Nc3ccc4nc(-c5ccc(F)cc5)oc4c3)CCO2)c1 761858516 PWERROLGDYRFQZ-QHCPKHFHSA-N 442.450 5.111 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)n(Cc3ccncc3)c2C)cc1 762994521 LDVFCSHUWRYYOK-XDHUDOTRSA-N 428.536 5.023 30 20 IKED CCn1c(COc2ccc(C)cc2)nn(CN(Cc2ccc(C#N)cc2)C(C)C)c1=S 764931640 HECODQZDBXMHNQ-UHFFFAOYSA-N 435.597 5.061 30 20 IKED CCOc1cc(/C=C2/CCc3nc(O)ccc3C2=O)ccc1OCCOc1cccc(C)c1 769610719 SWEFMLATKPIFPO-SILNSSARSA-N 445.515 5.165 30 20 IKED C#Cc1cccc(NC(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(OC(F)F)c2)c1 771105801 YWYLTLXYTDSKAL-QHCPKHFHSA-N 436.458 5.037 30 20 IKED N#C[C@H](COC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Cc1cccs1 772735758 KVNWKTYYIONRIZ-CYBMUJFWSA-N 435.332 5.568 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCc3c(F)cc(Br)cc32)ccc1OC 772980451 ORJDBCBULMZIJU-HNAYVOBHSA-N 433.321 5.055 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)ccc1OC 772986098 NLMQGDFTLLZRAV-WIYYLYMNSA-N 425.548 5.356 30 20 IKED CCN(C(C)=O)c1nc(CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cs1 779596521 XAGKZOOQGAHURO-UHFFFAOYSA-N 440.956 5.232 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(COCCOc2ccccc2)c1 780499251 RUCWSUREFHRMQU-LJQANCHMSA-N 431.492 5.217 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 780670863 REKUIFYZSFJZPH-QZTJIDSGSA-N 428.492 5.112 30 20 IKED Cc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1N1CCOC1=O 782580608 BAPIYXGHRPRRAU-SFHVURJKSA-N 440.503 5.373 30 20 IKED Cc1ccsc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccsc1 790758349 BSYPIBWDUPCWKW-QGZVFWFLSA-N 441.603 5.279 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cc(=O)c2ccc(F)cc2o1 796357551 SVHDEZYGWNZWJB-UHFFFAOYSA-N 430.410 5.098 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)cc1 806450326 LYZIJGWQCVMCJJ-HXUWFJFHSA-N 430.414 5.582 30 20 IKED CC[C@](C)(C#N)C(=O)Oc1cc(-c2ccc(Br)cc2)c2oc(=O)sc2c1 807950008 OYNXJQIELICLRQ-LJQANCHMSA-N 432.295 5.129 30 20 IKED Cc1noc(CSc2ccccc2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)n1 915179143 AHZHFVFWBZRMTC-QFIPXVFZSA-N 440.528 5.578 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(OCC#N)cc2)ccc1OCc1ccc(Cl)cc1 916152294 WMGGPZOVASHYLU-QCDXTXTGSA-N 433.891 5.726 30 20 IKED N#CCOc1cccc(NC(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 916680340 HGHRKIYGLNYAEG-UHFFFAOYSA-N 426.303 5.807 30 20 IKED N#C[C@H](C(=O)NC1CCCCC1)C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 916893590 DZLFYCFYDBBYNZ-FQEVSTJZSA-N 430.426 5.269 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3)cc12 916898967 JJUPKDQSKNWCAN-GOSISDBHSA-N 434.908 5.010 30 20 IKED Cc1nn(-c2ccccc2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)cc12 916908151 YVXVYRLOVAYOPM-MRXNPFEDSA-N 434.908 5.010 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3ccc(F)cc3)nc2C)cc1 916914500 MBKRMJPQFDGZCD-HXUWFJFHSA-N 435.524 5.561 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CC(c2ccccc2)c2ccccc2)cc1Cl 916940171 VIVGYGSZTMBKHW-OAQYLSRUSA-N 432.907 5.218 30 20 IKED N#C[C@H](C(=O)COc1cccc2ccccc12)c1nc2cc(C(F)(F)F)ccc2s1 917045291 XOWGPCTYYMLJAC-MRXNPFEDSA-N 426.419 5.724 30 20 IKED CCc1c(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3)n2)oc2ccc(C)cc12 917558968 BEAJVOLERCHBOA-FLIBITNWSA-N 448.519 6.480 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\C(=O)c3c(O)ccc(F)c3[C@H]2C)cs1 917559205 FZQJKFMFFFAGBM-RCEBRVLHSA-N 426.444 5.195 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccc(Cl)cc3Cl)n2)cc1 920142092 JYPOFQPVLJVEKZ-QGZVFWFLSA-N 431.344 5.935 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCCc3nc4ccccc4s3)n2)cc1 920143569 YBJZDLWUISEMOD-GOSISDBHSA-N 442.569 5.881 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)Cc3cc(F)ccc3Cl)CCC2)cc1 1786678612 APCDDQHNFRHLNZ-UHFFFAOYSA-N 446.975 5.075 30 20 IKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)C4CCCC4)cc3)CCC2)cc1C#N 1787613277 VLBGNIQJSZXHIQ-UHFFFAOYSA-N 445.563 5.283 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc4[nH]ncc34)cc2)CCC1 1788443044 OZJJVNAGLKXMRI-FQEVSTJZSA-N 428.536 5.079 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc5sccc5s4)cc3)CCC2)CCC1 1789257221 MJCSGEHNSLJGDF-UHFFFAOYSA-N 435.574 5.404 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ncccc3SCC)cc2)CCC1 1790209970 SMKUETLATBNVHM-UHFFFAOYSA-N 435.593 5.135 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc4ncccc4c3)CCC2)cc1 1791726380 SKQYUMXKLTZYPH-UHFFFAOYSA-N 439.559 5.105 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)ccc2F)n[nH]1 1814622335 RTMAIAGWOOKMRM-UZLBHIALSA-N 444.938 5.277 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](C)c2ccc(Cl)cc2)n[nH]1 1814659619 FLPNDCGYFPNAAN-DYESRHJHSA-N 440.975 5.053 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](F)c2ccccc2)[nH]n1 1819552864 HIUZJSDPVHARKO-CTNGQTDRSA-N 426.536 5.105 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3nc(C)ccc3o2)[nH]n1 1819554048 BBDKDNMMZQIEQY-IBGZPJMESA-N 449.555 5.158 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)cc(F)c2F)n[nH]1 1821330950 ZJADGJPOJHJIIC-FQEVSTJZSA-N 442.510 5.071 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2C)CC1 1823924666 DGJRGQLGWJOGFZ-XMMPIXPASA-N 426.576 5.136 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)noc2-c2ccccc2)CC1 1827715053 SMBWTGXHYRDLCJ-CVDCTZTESA-N 449.595 5.096 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 1831374597 GFJLIXSBPWWZDZ-LAUBAEHRSA-N 436.518 5.151 30 20 IKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2oc3ccccc3c2C)CC1)C(F)(F)F 1831452563 IXNOKVDKSRCYQB-IBGZPJMESA-N 448.485 5.093 30 20 IKED CC(C)c1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2cccc(CO)c2)cc1 11264598 JBGKOUVOVJPWHY-UHFFFAOYSA-O 445.608 5.129 30 20 IKED Cc1nn(-c2ccccc2)c(CSc2nnc(-c3ccccc3F)n2C2CC2)c1C#N 18482288 NJXAJKATUZSIPJ-UHFFFAOYSA-N 430.512 5.077 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)nnc1-c1ccc(F)cc1 22217371 ZTTPYLWLFFIBHP-LBPRGKRZSA-N 434.899 5.182 30 20 IKED Cc1noc(C)c1COc1cccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1 22865693 KNWADPYSDLUQCE-UHFFFAOYSA-N 444.516 5.042 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cc3cc(Br)ccc3o2)cc1 58499387 BEHLUDYDXVDTAU-UHFFFAOYSA-N 437.215 5.272 30 20 IKED N#C[C@@H](C(=O)CCCc1ccc2c(c1)-c1ccccc1C2)c1nc2ccccc2n1C(F)F 215644510 DEJRHHSOVDQLKR-QFIPXVFZSA-N 441.481 6.202 30 20 IKED Cc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1NC(=O)C(C)(C)C 303511044 OPQINNIRYWABHK-UHFFFAOYSA-N 427.504 5.896 30 20 IKED C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)c1ccc(C#N)cc1 303740024 YUDHNRQXXQHPFU-APWZRJJASA-N 429.549 5.330 30 20 IKED CCO[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C12CCCC2 303829692 HAXYXVHHFKEUMW-XZOQPEGZSA-N 446.551 5.012 30 20 IKED COc1ccc(CN2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)cc1OCCCC#N 430107262 RSIKSLGLZHLRMK-GAJHUEQPSA-N 448.485 5.359 30 20 IKED C[C@H](Nc1ccc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cc1[N+](=O)[O-])c1ccccn1 430640479 KMZDQTCRQVYBFO-GOEBONIOSA-N 449.536 5.407 30 20 IKED COc1cc([C@@H](C)NC(=O)N[C@@H](CCCC#N)c2ccccc2)ccc1OC1CCCC1 431819252 YMWDHOXSWICOJT-XXBNENTESA-N 435.568 5.812 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H](C(F)(F)F)OC(C)(C)C1 432767314 KGNOPIBYVQOPMD-LJQANCHMSA-N 433.430 5.233 30 20 IKED Cc1csc(Sc2ccc(C(=O)N(C)c3cc(Cl)ccc3C#N)cc2[N+](=O)[O-])n1 436009632 XURPQMYIVMWNNA-UHFFFAOYSA-N 444.925 5.313 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2nc(-c3ccccc3)co2)n(Cc2ccco2)c1C 436262445 QIQVEGUBQJULOM-UHFFFAOYSA-N 432.505 5.004 30 20 IKED Cc1csc(CNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)n1 438509764 AWWUMRKHWMLLEC-UHFFFAOYSA-N 432.427 5.456 30 20 IKED CC(C)(C)c1nc2ccc(NC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cc2s1 438656276 NBZMPILSUDNZLG-UHFFFAOYSA-N 447.608 5.205 30 20 IKED N#CCC[C@@H](NC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1)c1ccccc1 439389590 VCSQJENBBHWHOR-HXUWFJFHSA-N 433.899 5.154 30 20 IKED C=CC[C@@H]1N(c2nnc(-c3cccc4cccnc34)n2C[C@H]2CCOC2)CCCC1(C)C 461549069 GVMWEDMIKMMUPD-KNQAVFIVSA-N 431.584 5.101 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3C[C@H](n4cccn4)Cc4ccccc43)cc2)cc1 464429469 WAYGOFPMUGTITC-HSZRJFAPSA-N 434.499 5.186 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)Cc3nc(-c4ccc(F)cc4)cs3)cc2)ccn1 464667507 JKLVOUUERICSEZ-UHFFFAOYSA-N 430.464 5.189 30 20 IKED CC(C)(C)Cc1nc(-c2ccc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc2)no1 464943613 UWPOVZJGQDXLIZ-FCHUYYIVSA-N 428.536 5.237 30 20 IKED C=CCOc1ccccc1CNC(=O)N(C)[C@H](C)c1ccc(-c2ccccc2OC)cc1 465891716 LJEYUTGNPFFLDA-HXUWFJFHSA-N 430.548 5.830 30 20 IKED N#Cc1ccc(OCCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 466108115 PRLAVRPQKKXJTR-JOCHJYFZSA-N 430.895 5.068 30 20 IKED CN(C)Cc1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1Br 469811126 ULVKOGWGFMAUBB-UHFFFAOYSA-N 439.357 5.021 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@@H](c3cccc(F)c3)C3CCCC3)ccc21 470539498 YRBOEXGIUSZNSG-RUZDIDTESA-N 448.542 5.462 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 470645824 FNUCBXSQLQMYAO-UHFFFAOYSA-N 434.609 5.129 30 20 IKED COc1ccc([C@@H](CNC(=O)C[C@@H](CC#N)c2ccccc2)c2c[nH]c3ccccc23)cc1 474425262 HHQHXNKHJDHRDX-RCZVLFRGSA-N 437.543 5.512 30 20 IKED CC[C@@]1(C)Oc2ccc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)cc2O1 474653041 ZYMUFVKFPSBPIW-VWLOTQADSA-N 430.508 5.230 30 20 IKED Cc1cc(C)n(-c2ccc(CNC(=O)C[C@H](CC#N)c3ccccc3)c(C(F)(F)F)c2)n1 475179627 CTWKMENOQATIJM-IBGZPJMESA-N 440.469 5.212 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](c1ccc(CCC)cc1)c1cccs1 476931059 LTJOITHHMJZEBZ-XMMPIXPASA-N 438.593 5.663 30 20 IKED N#CCCSc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 480182481 URZIXJKPXUNBCI-GOTSBHOMSA-N 428.557 6.014 30 20 IKED Fc1cccc(Cc2noc(CN[C@@H](c3ccc(OC(F)(F)F)cc3)C(F)(F)F)n2)c1 488258570 YOGZGTXODBGSNT-KRWDZBQOSA-N 449.326 5.091 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H](C#N)c1cccc(Br)c1 496265694 WKTSFQKVMPMAPY-INIZCTEOSA-N 430.302 5.015 30 20 IKED Cc1nc2c(c(C(F)(F)F)n1)C[C@H](c1nc(-c3ccc(F)cc3C(F)(F)F)no1)CC2 508039927 KFADDICBNOQTHT-SECBINFHSA-N 446.326 5.284 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)cc1 508144196 CDTIUUBFTVBBOE-OAHLLOKOSA-N 433.335 5.214 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@@]2(CCCOC2)C1 508476829 HOLISDJBIJRHQC-FQRUVTKNSA-N 432.568 5.154 30 20 IKED CCN(C(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C)[C@H](C)c1ccc(C#N)cc1 509561510 RBSYPDQMOZIWNK-MRXNPFEDSA-N 435.549 5.231 30 20 IKED C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H]1CCCN(C2CCC2)C1 511246414 CPCJSRSYLODPNP-OFNKIYASSA-N 446.595 5.106 30 20 IKED C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)[C@@H]1CCCN(C2CCC2)C1 511255109 UVSDNQOYFWVKBA-HYBUGGRVSA-N 448.586 5.062 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ccc(Cl)cc2)s1)c1nc2ccccc2n1C(F)F 515539245 JQQSFQJGBJRDGO-AWEZNQCLSA-N 427.863 6.303 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1 516222069 UVMBIPHMZIQCQW-UHFFFAOYSA-N 433.511 5.548 30 20 IKED C[C@@H](NC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1)c1ccc(C#N)cc1 517614329 GZHMNDLBRWNTAS-CLOONOSVSA-N 438.531 5.418 30 20 IKED CCc1ccc(N(C(=O)[C@@H](C)Oc2ccccc2C#N)c2nc3ccccc3s2)cc1 518189442 VCLKGVZLXGSKSK-QGZVFWFLSA-N 427.529 5.863 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 520196033 VEWFVSFCJZPJPS-OAHLLOKOSA-N 433.499 6.296 30 20 IKED COc1ccc(C)cc1-n1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)n1 521316971 AMLCSEZVEIKUGZ-QGZVFWFLSA-N 448.935 5.456 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 523755020 OHSWYNVJMWCPCI-UHFFFAOYSA-N 428.380 5.067 30 20 IKED C=CCn1c(S[C@@H](C)c2ccc(C#N)cc2)nnc1-c1ccc(Br)cc1 524025499 NMWXBKJRWCDESA-AWEZNQCLSA-N 425.355 5.619 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 524564985 BDHSWRHRZMIGHB-MRXNPFEDSA-N 448.514 5.311 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F 524967674 OBFXZZVRJSGSCC-OALUTQOASA-N 426.394 5.387 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1cnn(CC(C)C)c1C(F)F 534088765 JBSDLGGERYTSFA-UHFFFAOYSA-N 439.466 6.093 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 534985839 HBGQCDQWKSQGPI-VGOFRKELSA-N 433.930 5.009 30 20 IKED COC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccc(F)c(F)c1 539128453 PUDKLFJXZXQKCX-QHCPKHFHSA-N 437.446 5.446 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)c1c(F)c(F)cc(F)c1F)C(F)(F)F 539650432 MOIMWOWJTYJQLK-SFHVURJKSA-N 445.338 5.079 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc(Cc2nnc3ccccn23)cc1 540854859 JFNRKMYMWGVZBH-UHFFFAOYSA-N 445.482 5.236 30 20 IKED Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1NC(=O)c1ccncc1 540855110 PKWSVXVRMVXALV-UHFFFAOYSA-N 448.482 5.559 30 20 IKED CC[C@@](C)(COc1ncccc1Cl)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 541969546 GGVBONPJVKGFDH-BTYIYWSLSA-N 432.977 5.498 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3cccc(Br)c3Cl)CC2)c1 549051893 AWTPTQKQFVBIDX-UHFFFAOYSA-N 434.721 5.049 30 20 IKED CC(C)Oc1ccc([C@@H](CNC(=O)Nc2ccccc2S[C@H](C)CC#N)N(C)C)cc1 558345806 XZTRISFLIDPAJS-XMSQKQJNSA-N 440.613 5.292 30 20 IKED N#CCCC[C@@H](NC1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)c1ccccc1 560563664 BTBYQSKSNWDUDZ-UBVWURDFSA-N 439.987 5.171 30 20 IKED C[C@@H](OCCCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1ccccc1 560996765 WTWVCNBVICQPOZ-LJQANCHMSA-N 439.987 5.102 30 20 IKED C[C@H](Cc1cncc2ccccc12)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 570480059 OAMOINDXBSANFY-OAHLLOKOSA-N 443.494 6.077 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2Cc3cnn(-c4ccccc4)c3C2)cc1 578933287 JXJGZCJPGDWLLL-UHFFFAOYSA-N 436.540 5.192 30 20 IKED Cc1csc(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])c1C#N 580740724 RXHCJLOBQJQOTP-UHFFFAOYSA-N 429.910 5.893 30 20 IKED C=CCn1c(SCC(=O)Nc2cccc([C@H](C)OC)c2)nnc1-c1ccc(Cl)cc1 588828572 ZXMPIJSNJIXCCZ-HNNXBMFYSA-N 442.972 5.223 30 20 IKED O=C(c1cnc(Cc2ccc(F)cc2)s1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 589051376 KCJOZXAUYSHBJA-TXEJJXNPSA-N 440.384 5.076 30 20 IKED O=C(Nc1ccc(C(F)(F)F)cc1Cl)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 601181673 CQIFLPVMVMKCBU-DTORHVGOSA-N 442.709 5.953 30 20 IKED COC(=O)C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1cccs1 604361245 XVVPREWTKYIPQN-FQEVSTJZSA-N 435.505 5.146 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccn(-c2cccc(Cl)c2)n1 609061186 USCLBKAPEDWCET-UHFFFAOYSA-N 442.906 5.537 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccn(-c2cccc(Br)c2)n1 609377890 JVRODKKHEZUGJK-AWEZNQCLSA-N 441.354 5.139 30 20 IKED CC(C)c1ccc(CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 609403509 BHZDGEQRGZJEGZ-UHFFFAOYSA-N 449.498 5.089 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1cccc2ccccc12 609403632 MQIGPNFSJQUVCH-WZONZLPQSA-N 443.572 5.394 30 20 IKED N#C[C@H](NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1)c1ccc(Cl)c(Cl)c1 609460582 VFJUQEGTGXJLHO-KSSFIOAISA-N 445.375 5.201 30 20 IKED COc1ccc2oc([C@H](C)NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)c(C)c2c1 609506007 HVIDIFWIFTZLEX-INIZCTEOSA-N 427.460 5.300 30 20 IKED CCNC(=O)c1ccc(C)c(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 609727328 JGFXWMCENYQYNE-UHFFFAOYSA-N 433.895 5.314 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccccc1)c1sccc1C 609936643 WDKGAICRORPLSA-QHCPKHFHSA-N 433.577 5.070 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)CCSc1ccc2c(c1)OCCCO2 610152092 IZBAPQLVAUBUBX-UHFFFAOYSA-N 434.517 5.028 30 20 IKED Cc1[nH]nc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1-c1cccc(Cl)c1 610354606 QLRZYRXUXFXTHZ-UHFFFAOYSA-N 442.906 6.149 30 20 IKED CCOC(=O)CC[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 611042267 SQRNSSMTOBYRIC-FQEVSTJZSA-N 435.524 5.246 30 20 IKED COCCOCc1cccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 611815769 WZMXHQOQCNTLSH-LJQANCHMSA-N 429.520 5.271 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1nc2cc(C(F)(F)F)ccc2s1 613404669 PFPLBRVMJQIAJX-ZDUSSCGKSA-N 430.386 5.334 30 20 IKED CC(C)(c1ccc(C(=O)N[C@H](C#N)c2ccccc2Br)cc1)C(F)(F)F 617999343 ZGICDOYIVVWEPU-MRXNPFEDSA-N 425.248 5.284 30 20 IKED COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 618746972 FRBGSMRUISCRTE-NRFANRHFSA-N 436.899 5.250 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)N[C@H]2CCc3cc(C#N)ccc32)nc1-c1ccccc1 618845821 HRBXILOIOKWKAU-XZOQPEGZSA-N 440.547 5.871 30 20 IKED CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 618847794 RFILTFBPQGMQRD-AREMUKBSSA-N 447.542 5.240 30 20 IKED CCC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 619227138 VAGNYIOBRPOTLK-UHFFFAOYSA-N 428.492 5.010 30 20 IKED CCOCCCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@](C)(C#N)C1 619840180 NEYAZORTMADWNX-RXFWQSSRSA-N 447.583 5.128 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 726319601 LSGYVRPPDYQZEZ-CYBMUJFWSA-N 449.841 5.443 30 20 IKED COc1ccc(C(=O)/C=C/c2cc(C)c(OCc3ccccn3)c(C)c2)cc1NC(C)=O 726428791 PQCTXLDIUMWLFS-CSKARUKUSA-N 430.504 5.141 30 20 IKED C#Cc1cccc(NC(=S)N(CC)Cc2ccc(OCc3cccs3)c(OC)c2)c1 726444764 ZPFJHGUTLFJLCE-UHFFFAOYSA-N 436.602 5.536 30 20 IKED N#Cc1cccc(COc2ccc(N[C@H]3CC(=O)N(c4ccc5ccccc5c4)C3=O)cc2)c1 728063090 VTZQOHRAUYIKTQ-SANMLTNESA-N 447.494 5.034 30 20 IKED C#Cc1cccc(N(C(=O)CSc2nnc(-c3ccccc3)n2[C@@H](C)CC)C(C)C)c1 728245776 IJVNFQYJWSIBEB-IBGZPJMESA-N 432.593 5.431 30 20 IKED CON=Cc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc1 728882364 JWAJBYGYWAJLES-UHFFFAOYSA-N 441.409 5.190 30 20 IKED CC[C@H](C)Oc1ccccc1/C=C\C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 729889032 BLSNHRMTTDFXMO-RSRQLZNBSA-N 447.560 5.343 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)OCc2nnc(-c3cccc(Cl)c3)o2)cc1 730302372 YVVMALIEGIGFHJ-UHFFFAOYSA-N 445.862 5.198 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccccc3SCc3ccccc3)cc2)nc1 731962763 ADFANKSIHCLBGY-UHFFFAOYSA-N 437.524 6.290 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2Oc2ccc(C)cc2)ccc1OC 733618201 VFSJVIFKAJEJLD-HXUWFJFHSA-N 445.519 5.799 30 20 IKED C#CCN(C(=O)Nc1cccc(Cl)c1OC)[C@H]1CCOc2ccc(Br)cc21 733628070 UWPRRLMQVXTYHC-KRWDZBQOSA-N 449.732 5.102 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 733805373 BFMYIAMBGLRLCE-ISKFKSNPSA-N 433.939 5.610 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c1 733845337 BMYGVUCCKSEARY-NRFANRHFSA-N 433.483 5.298 30 20 IKED Cc1cc(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cnc1Cl 735266059 YBFMCTSTPRAIQS-SFHVURJKSA-N 432.332 5.153 30 20 IKED CN(Cc1cc(Br)cs1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740060209 QPRRKDBJHOJHIV-UHFFFAOYSA-N 446.395 5.452 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N[C@H](c3ccccc3)C3CCOCC3)c2)s1 740061081 LNAYMYWRBMYVAM-XMMPIXPASA-N 431.561 5.254 30 20 IKED C=CCn1c(S)nnc1-c1sc(NC(=O)C2CCC(c3ccccc3)CC2)nc1C 742650852 CXHPXZXNXCFLSO-UHFFFAOYSA-N 439.610 5.097 30 20 IKED Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 742960959 HRVQROVEWPSVEF-UHFFFAOYSA-N 446.869 5.890 30 20 IKED Cc1cccc(C2(O)CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)c1C 743141240 IINFETRIRJEFQU-UHFFFAOYSA-N 441.531 5.483 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1 746251693 GBPDZFKVIIKLAM-AHWVRZQESA-N 444.506 5.005 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CC[C@H](c3ccccc3)[C@@H](CC)C2)ccc1OC 746418713 XAYWKGBWASWUJR-WWNPGLIZSA-N 435.568 5.101 30 20 IKED N#Cc1cc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)c(Cl)c([N+](=O)[O-])c1 746480968 FSUHJGZVBTVTRJ-UHFFFAOYSA-N 447.303 5.002 30 20 IKED COc1ccc(Nc2nc(Cl)c(C=NNc3oc(C(C)(C)C)nc3C#N)s2)cc1 746498091 HYFGTYSIZFPSPA-UHFFFAOYSA-N 430.921 5.152 30 20 IKED COc1ccc(/C=C(\Cl)c2ncc(-c3ccc(Cl)cc3)o2)cc1OCCCC#N 747361163 DDWUEVRFBKQCGT-PDGQHHTCSA-N 429.303 6.423 30 20 IKED C/C(=C\C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1ccc(C(F)(F)F)cc1 748389864 JJATVYJBRIFIQZ-DTQAZKPQSA-N 440.421 5.403 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccnc(Oc2ccccc2)c1 749337191 CBUKCQJKXHZLOM-INIZCTEOSA-N 426.259 5.142 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 752660522 GKSOUNFIRCLBBO-BJKOFHAPSA-N 442.588 5.614 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc4ccc(Cl)cc4n3)n2)cc1 759266267 AMFUQKPIQUEONC-SQUSKLHYSA-N 440.915 5.773 30 20 IKED COc1cc(F)c(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)cc1OC 760264969 OSXFVFXYGWPUTA-KHPPLWFESA-N 439.870 5.645 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@H](c1ccc(Br)cc1)C1CCC1 761443953 PSVUUUYQOTVABB-QFIPXVFZSA-N 444.373 5.193 30 20 IKED COC(=O)C1C/C(=C\c2nccc3ccccc23)C(=O)/C(=C/c2nccc3ccccc23)C1 761484898 BVESIIWRQPXTPS-NWILIBCHSA-N 434.495 5.402 30 20 IKED Cc1ccnc(C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)n1 775563433 YMJFWRSJQNIKRF-UHFFFAOYSA-N 427.508 5.169 30 20 IKED Cc1c(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)oc2c(C)cc(Br)cc12 777747158 RNIKMLVOBAXOKV-UHFFFAOYSA-N 448.660 5.498 30 20 IKED C=CC[C@H](C(=O)OCc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1)c1ccccc1 778428657 SNEFZRZGDZOHNC-NRFANRHFSA-N 440.952 5.884 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccccc1O[C@H](C)C#N 780160117 GDZQDOCGTGYWAM-CQSZACIVSA-N 439.924 5.505 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(Cc2cccc(F)c2)n1 780304796 APMJQOSHCHSQIS-CQSZACIVSA-N 448.306 5.141 30 20 IKED C[C@H](NC(=O)Nc1ccccc1O[C@H](C)C#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 780680580 FGXPIDCUEDHDGI-SJORKVTESA-N 446.482 5.252 30 20 IKED C[C@@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1nnc(-c2cccc(Cl)c2)o1 783439996 HPJURPNWNLMMQK-CQSZACIVSA-N 449.850 5.352 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC2CC(c3ccc(Br)cc3)C2)ccc1OC 786852582 HJQYRBBXIPITQO-UUKMXZOPSA-N 429.358 5.174 30 20 IKED N#CCCn1cc(/C=C/C(=O)c2ccc(-c3ccccc3Cl)s2)c(-c2ccncc2)n1 788351273 QAQHRKHUSLEZDQ-VOTSOKGWSA-N 444.947 6.137 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 789457061 RBDKXNFGGNDBEN-ILWGZMRPSA-N 441.616 5.696 30 20 IKED Cc1ccccc1-c1noc(C)c1C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 796213758 APPGQSMQXGGKMI-INIZCTEOSA-N 449.532 5.148 30 20 IKED Cc1c(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)sc2ccc(C#N)cc12 796615433 PZZBNZORBHONQO-AWEZNQCLSA-N 449.557 5.129 30 20 IKED Cc1ccc(N2CCOCC2)cc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 797599363 RXDLNWXPLNTUPS-UHFFFAOYSA-N 447.922 5.401 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccc(C(F)(F)F)cc1 798816780 OXWIKICZLXKYNE-BDJLRTHQSA-N 442.409 5.471 30 20 IKED Fc1cc(NCc2nc(-c3ccc(C(F)(F)F)cc3)no2)ccc1OCC(F)(F)F 799969032 YLARUEOHHGIFIJ-UHFFFAOYSA-N 435.299 5.448 30 20 IKED N#CC1(CCCOC(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)CCOCC1 800163935 VMBYUUQDSBODGM-UHFFFAOYSA-N 427.928 5.105 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1cccc(Cl)c1Cl)[n+]1ccc(C(C)(C)C)cc1 802708531 FZYSXFLIGIZMMB-UHFFFAOYSA-O 436.428 5.955 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1 806201311 WMVOEXTXPUWJMZ-XDZXDJIYSA-N 437.543 5.378 30 20 IKED CNC(=O)c1ccc(/C=C(/C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cc1 912859119 BBFOLBJWVCUMGR-RCCKNPSSSA-N 446.934 5.221 30 20 IKED COc1ccc(CSCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1[N+](=O)[O-] 915181159 XXYPOTJHOFSCIK-OAQYLSRUSA-N 447.516 5.131 30 20 IKED CC(=NNc1ncnc2scc(-c3ccc(C)cc3)c12)c1ccc2c(c1)CCC(=O)N2 915956122 OQFZKKFQZCOTRJ-UHFFFAOYSA-N 427.533 5.388 30 20 IKED COc1ccc(C(C)=NNc2ccc(C(F)(F)F)cn2)cc1CSc1ncccn1 916621319 OUHXOIFBQGMVJX-UHFFFAOYSA-N 433.459 5.027 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1 916907708 ZYRZMPONYVNAIJ-FDDCHVKYSA-N 441.531 5.308 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nc4ccccc4s3)o2)cc1 916948529 WJUYYONFZGLBDE-MAUKXSAKSA-N 443.528 6.031 30 20 IKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 917046862 VBDHIPLSLQZJHG-MEDUHNTESA-N 429.954 5.265 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2CCC(Oc3ccc(C(C)C)cc3)CC2)c1=S 917466837 CIQWBUXKSFUVQS-UHFFFAOYSA-N 449.624 5.286 30 20 IKED COc1ccccc1-c1cc(C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)no1 918156260 PBUNXDMORSKIEE-UHFFFAOYSA-N 441.462 5.516 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(C)s2)nnc1-c1ccc(Cl)cc1 920008650 XNONUHLUGGTIDM-CQSZACIVSA-N 433.002 5.124 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(-c2nc3ccccc3s2)o1 920102089 OYZATQJJBHZULX-OAHLLOKOSA-N 425.469 5.551 30 20 IKED C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(N2CCOC2=O)cc1 920953051 YQOOJOHVIRBYAR-QGZVFWFLSA-N 443.528 5.157 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2)CCC1 1785993871 FEHHIMUNDONTSJ-UHFFFAOYSA-N 446.975 5.075 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(Cl)ccnc4c3)CCC2)cc1 1791584026 KHJLBRHFQLVBRC-UHFFFAOYSA-N 445.950 5.439 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4cc[nH]n4)cc3)CCC2)cc1 1791730307 APEZMSUPBSKUKX-UHFFFAOYSA-N 440.547 5.018 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(C)s3)cc2)CCC1 1791835062 GJOOFQMOBCPAKX-QFQMRYFISA-N 439.581 5.005 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)/C=C\c3c[nH]c4ccccc34)C2)CC1 1806879403 SALLBSFANPSYTA-KHPPLWFESA-N 447.623 5.405 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2sccc2Cl)[C@H]1c1cccnc1 1810501666 CHLLWVKQYPTANT-HKUYNNGSSA-N 446.016 5.109 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C3CC3)cc2)[C@H]1c1cccnc1 1810503598 RQLFMOQMQNRUKO-DQEYMECFSA-N 445.607 5.271 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C)cc2C)[C@H]1c1cccnc1 1811784467 VVNUTXIWZBBJLZ-ISKFKSNPSA-N 433.596 5.010 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3cc(C)[nH]c23)[nH]n1 1814828963 HXRRWYRYYDPONP-QFIPXVFZSA-N 445.567 5.274 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3cc[nH]c23)n[nH]1 1818768084 IUEZYDNIGQUDHZ-FQEVSTJZSA-N 433.556 5.189 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccnc(C(F)F)c2)[nH]n1 1819553112 UJVDTRVKGPKFDE-GOSISDBHSA-N 445.514 5.041 30 20 IKED CC(C)[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)CC1 1820551591 TZGLUZUZRYTFPC-RRPUWOKSSA-N 447.583 5.050 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)c(C)c3Cl)n[nH]2)C1 1823138984 IZKORHKFKZEJQZ-GOSISDBHSA-N 447.366 5.297 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)cc(Cl)c2)n[nH]1 1823209041 CTONZSDPXMQARB-QUCCMNQESA-N 444.938 5.277 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cccc(F)c2F)CC1 1823753744 ZKDZRGRLYJERQP-JOCHJYFZSA-N 446.582 5.119 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)ccc2F)CC1 1824143066 FKJGWGJBZAUIPN-XMMPIXPASA-N 426.576 5.136 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCn2cccc2)CC1 1829034537 WNQZJZVANQUMJQ-RUZDIDTESA-N 439.644 5.047 30 20 IKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829907168 KRFZDHOBEKNOSA-VWLOTQADSA-N 444.575 5.126 30 20 IKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3)CC2)c1 1830028168 XJRGQFSLGSQOEZ-DEOSSOPVSA-N 449.982 5.067 30 20 IKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)cc1 1830723296 ZVGQUUDDYBOQTK-XMMPIXPASA-N 449.982 5.067 30 20 IKED Cc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2SC[C@@H](C#N)CCC#N)cc1 15240090 ZRLONIAEPDKEBY-RRFFURKPSA-N 442.588 6.039 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1C1CC1 21243307 GRSXWDBIZDIBFX-SECBINFHSA-N 431.776 5.421 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nnc1-c1ccccc1 23470184 XBWHLHIFHWGZAQ-AWEZNQCLSA-N 447.391 5.407 30 20 IKED Cc1ccc(C)c(N/C(S)=C(\C(=O)c2cc(C)[nH]c2C)[n+]2ccc3c(c2)CCCC3)c1 23603736 PJSWIWZQCKNPDE-UHFFFAOYSA-O 432.613 5.466 30 20 IKED C=CCn1c(SCC(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)nnc1C1CC1 36807112 GKTVMAOTDSGYCG-UHFFFAOYSA-N 447.608 5.619 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CCN(c2nc3ccccc3s2)CC1 62539458 SJMMJYOZNADEHI-UHFFFAOYSA-N 447.029 5.378 30 20 IKED COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CSc2ccnc3ccccc23)cc1 111216692 ZHEHXWYNUSXRLX-UHFFFAOYSA-N 442.544 5.253 30 20 IKED O=C(Nc1cccc(/C=C2/COc3c(F)cc(F)cc3C2=O)c1)c1ccccc1Cl 195651282 NZABPHYEMDOWFK-ZSOIEALJSA-N 425.818 5.529 30 20 IKED O=C(CN1CCC(C(F)(F)F)(C(F)(F)F)C1)Nc1ccc(Cl)cc1C(F)(F)F 303663068 HXBXIWKUGWCLHC-UHFFFAOYSA-N 442.709 5.114 30 20 IKED COc1ccc(Br)c(CN(C)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 429761677 VAHHYEVLNGWLLN-AWEZNQCLSA-N 448.386 5.516 30 20 IKED O=C(N[C@@H]1COc2ccc(F)cc21)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 436394999 VFCYMVCJQSDBPX-HUUCEWRRSA-N 436.327 5.271 30 20 IKED Cc1oc(C#N)cc1C(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F 439117235 ZKPWRDSVEMSMPM-UHFFFAOYSA-N 431.345 5.122 30 20 IKED Cc1cc(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)ccc1OC(C)C 439384989 KKZPXIMZEVSCNZ-UHFFFAOYSA-N 429.476 5.023 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440488646 RHNIFMWGCAUCCL-INIZCTEOSA-N 449.557 6.250 30 20 IKED C[C@@H](NC(=O)CCc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 440763824 SQVQWWIKKXUKAF-JPYJTQIMSA-N 445.950 5.071 30 20 IKED CCO[C@@H](C)c1ncc(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)s1 442673643 VHQUZRABWLLUGM-DMVCOTSLSA-N 441.622 5.655 30 20 IKED Cc1noc(C)c1[C@@H](C)CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 443850469 GCPOPSVAZPSMFO-AWEZNQCLSA-N 438.915 5.321 30 20 IKED N#CC1(c2nc(CC(=O)Nc3nc(-c4ccc(Cl)cc4Cl)cs3)no2)CCCC1 445420906 XUZAEIWYCQHFAQ-UHFFFAOYSA-N 448.335 5.016 30 20 IKED C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)CC1 445514724 JJDUWTAOEBSJOK-HNNXBMFYSA-N 433.021 5.173 30 20 IKED CC[C@@H](N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C)c1ccc(C#N)cc1 447584928 HQMGVDUWHOSZPA-CLJLJLNGSA-N 432.589 5.409 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NC3(c4cccc(C(F)(F)F)c4)CCC3)cc2)nc1 460526495 KQCRUHUCBCXLIT-UHFFFAOYSA-N 437.421 5.574 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)c1cccc(Br)c1 463398526 PNIJDDWRXJZWBO-OAHLLOKOSA-N 436.309 5.559 30 20 IKED CCO[C@@H](C)c1nc(CN(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cs1 463982262 LMNFYCNWXVIXTL-HNNXBMFYSA-N 439.512 5.316 30 20 IKED N#Cc1ccc(F)c(CNC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)c1 464039047 DKPCGFPXHWATFO-UHFFFAOYSA-N 433.533 5.408 30 20 IKED CCSc1cccc(Br)c1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 464712476 QVLIPOGZGFNQPE-AWEZNQCLSA-N 448.361 5.037 30 20 IKED COc1ccc(C2CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)CC2)cc1 465383361 RLDBLOYVDIQDDI-UHFFFAOYSA-N 426.516 5.166 30 20 IKED C=CCN(Cc1cccs1)C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 468356188 LEGGEUVRYYUFNM-UHFFFAOYSA-N 436.364 5.642 30 20 IKED N#CCCCN1C(=O)CCc2cc(NCc3c(-c4ccccc4)nc4ccccn34)ccc21 469328218 ISJSGVLQVAYJOD-UHFFFAOYSA-N 435.531 5.196 30 20 IKED CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 470335633 FWUAMXFJSFXMOD-LJQANCHMSA-N 435.421 5.471 30 20 IKED Cc1ccc([C@@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c2ccccn2)cc1 471120128 FCEMTXWNGQHWHT-HSZRJFAPSA-N 439.544 5.220 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@H]1CCCC[C@@H]1N(C)C1CCN(C)CC1 475564297 ACHIXLRDRXDGHD-DQEYMECFSA-N 440.676 5.339 30 20 IKED CCN([C@@H](c1ccc(Cl)cc1)c1ccccn1)S(=O)(=O)c1cc(C#N)ccc1Cl 475781208 QMTRDVAQTVJKQD-NRFANRHFSA-N 446.359 5.060 30 20 IKED C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 480383526 BUQBPTDDLOTDAT-BXUZGUMPSA-N 430.364 5.298 30 20 IKED C=CCn1c(Sc2ccc([N+](=O)[O-])nc2)nc2scc(-c3ccc(C)cc3)c2c1=O 484038466 IACGULPCPSAYDG-UHFFFAOYSA-N 436.518 5.074 30 20 IKED CCOCCOc1ccc(Cl)cc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 484289677 JYOIPRAZUIAPRV-UHFFFAOYSA-N 436.895 5.672 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)cc1C 486677135 BRXFQTPEFJTBPI-NRFANRHFSA-N 440.469 5.157 30 20 IKED C=CCn1c(SCCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1cccc(OC)c1 488880898 NEFGYLSHNJRYEI-UHFFFAOYSA-N 446.935 5.053 30 20 IKED C=C(C)Cn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccncc1 489386296 FMHWDEUKHCZHBW-ZDUSSCGKSA-N 448.379 5.342 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)nnc1-c1ccc(C)cc1 489663303 DATXBBCLYBJHPW-HNNXBMFYSA-N 442.972 5.221 30 20 IKED N#Cc1ccc(Br)c(CN[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c1 491591067 HFXNTBRJAATRAD-HNNXBMFYSA-N 435.190 5.315 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 491921149 LPRWKYXLHYKIRQ-UHFFFAOYSA-N 439.953 5.025 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C 495445396 UUDDRLGYEYSDHD-WBVHZDCISA-N 443.613 5.573 30 20 IKED CC1CCN([C@H](CNCc2cn(CCC#N)nc2-c2ccccc2)c2ccccc2)CC1 500139130 XQXGFPWJMAOYLP-AREMUKBSSA-N 427.596 5.027 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(OC2CCCCC2)CC1 508731756 YDKFFFOQKANJPV-UHFFFAOYSA-N 430.980 5.015 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F 509278331 GWPFEMZCGSGFGE-BZUAXINKSA-N 435.339 5.638 30 20 IKED CCN(C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](C)c1ccc(C#N)cc1 509619769 RUJSVAUZNNJKIH-ZDUSSCGKSA-N 437.443 5.187 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CCSc4ccc(F)cc43)c2)cc1 509906007 UJTCAGUTDSJUDU-HSZRJFAPSA-N 447.535 5.829 30 20 IKED N#Cc1cc(NC(=O)N2CCC(=Cc3cccc(F)c3)CC2)ccc1OCC(F)(F)F 510289185 WZNZNIVGUZHGNB-UHFFFAOYSA-N 433.405 5.350 30 20 IKED COc1ccc(Br)cc1[C@H]1CCCN1C(=O)Nc1cc(C#N)cn1C(C)(C)C 510581903 ASPMKJCZRMGYLZ-QGZVFWFLSA-N 445.361 5.255 30 20 IKED COc1cc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc(OC)c1 510874647 NYBJCDCVMPYZBP-UHFFFAOYSA-N 431.492 5.340 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(Oc3cc(C)ccc3C)CC2)cc1 511017997 YTLDXVDXKDLNDL-UHFFFAOYSA-N 447.579 5.193 30 20 IKED Cc1cc(NC(=O)c2ccc(COc3ccccc3C#N)o2)n(-c2ccc(Cl)cc2)n1 515655594 WRZDCLUBADHVHW-UHFFFAOYSA-N 432.867 5.130 30 20 IKED Cc1cc(-c2noc(CCC(=O)Nc3sc(-c4ccccc4)cc3C#N)n2)ccc1F 515905262 UMFNGSXBYAMPMN-UHFFFAOYSA-N 432.480 5.356 30 20 IKED Cc1ccc(C)c(Oc2ccc(CNC(=O)CSc3nc(C)c(C)c(C)c3C#N)cn2)c1 516503255 BZUVWUYCCQMVMZ-UHFFFAOYSA-N 446.576 5.091 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)Nc1ccc(C#N)c(Br)c1 517347691 CUXSDWINAMNYQD-UHFFFAOYSA-N 443.732 5.088 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](CC1CCCCC1)c1ccccc1 517468231 JLXDUJSUQWIRHQ-AUSIDOKSSA-N 449.620 5.705 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cccnc1Oc1cccc(F)c1 517474170 VWQMRTKNXHMBJI-INIZCTEOSA-N 436.512 5.586 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c1 517800788 IMFNGRVEWSSFIE-QHCPKHFHSA-N 435.508 5.751 30 20 IKED CCOc1cc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)ccc1OCc1cccnc1 518708845 BJCRLTCDUOJWGR-HSZRJFAPSA-N 443.547 5.351 30 20 IKED CC(C)c1ncc(Cl)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1 520100499 QZEUJYQRVHTGGS-UHFFFAOYSA-N 427.291 5.823 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(C(=O)CCC2CCCCC2)CC1 520198797 GBIAWMWARZSZAN-LJQANCHMSA-N 442.629 5.117 30 20 IKED COc1ccc(Br)c(CNCc2cccc(OCc3cccc(C#N)c3)c2)c1 520958201 MKCCSJNZYSFIRZ-UHFFFAOYSA-N 437.337 5.198 30 20 IKED Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)Nc2ccc(CC#N)cc2)C3)cc1 520985087 BHFSOPIZYYFXRH-UHFFFAOYSA-N 439.519 5.295 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(OC(F)(F)F)cc1 521731427 WWMWWABZNFIKES-CQSZACIVSA-N 440.512 5.709 30 20 IKED CCCCCN(C(=O)c1ccc(C#N)cn1)c1nc(-c2ccc(Cl)cc2Cl)cs1 522111431 HBARNMONJYDDDB-UHFFFAOYSA-N 445.375 6.221 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cc(O)nc2cc(F)ccc12 523486549 XDAGPTMONWVDHE-UHFFFAOYSA-N 429.426 5.246 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CC=C(c4c[nH]c5ncccc45)CC3)c2)cc1 524664590 SVEDBNJUHYDGDZ-UHFFFAOYSA-N 435.487 5.548 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 525563829 OLUKFSLIHYMGLV-INIZCTEOSA-N 434.565 5.972 30 20 IKED C[C@H](CNC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1nc(-c2ccccc2)no1 534095492 HBXZANSKYMYPEL-QGZVFWFLSA-N 440.528 5.293 30 20 IKED CN1C(=O)CCc2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)ccc21 535369347 SFYMIOXIAJOJLJ-UHFFFAOYSA-N 431.879 5.165 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccccn2)nc2ccccc12)c1nc2cc(Cl)ccc2s1 535404379 MLFDNAVZNDPVAD-KRWDZBQOSA-N 440.915 6.050 30 20 IKED CC(C)[C@@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1nnc2ccccn12 535583399 RSYHQXAVUBHIAO-JOCHJYFZSA-N 445.910 5.174 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(Cc2cccnc2)CC1 537844490 JUFACFJLIMETHV-UHFFFAOYSA-N 426.520 5.541 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 539127784 OVLSTJQSJBNPQC-GOSISDBHSA-N 426.545 5.799 30 20 IKED C[C@H](NC(=O)NCc1ccnc(N2CCCCC2)c1)c1ccc(-c2cccc(C#N)c2)cc1 541126923 NWUAAXVZDAZIFH-FQEVSTJZSA-N 439.563 5.171 30 20 IKED N#CCC1CCN(C(=O)Nc2ccc(Oc3ccccc3Br)c(Cl)c2)CC1 541972267 YHFFBUQKJVXUGU-UHFFFAOYSA-N 448.748 6.052 30 20 IKED Cc1cc(N2CCOCC2)ccc1NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542923330 DIAUSXDHTIFDJO-HXUWFJFHSA-N 440.547 5.253 30 20 IKED COc1ccc(C(=O)CC(C)(C)CC(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1 545379196 ZLMZQINVQNOLJZ-IBGZPJMESA-N 432.442 5.084 30 20 IKED COc1cc(C#N)ccc1NC(=O)c1sc(-c2ccc(OCC(C)C)c(C#N)c2)nc1C 546004128 KSYSFPIFTLHOTN-UHFFFAOYSA-N 446.532 5.158 30 20 IKED C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@@H](C2CCOCC2)C1 549277548 HLUUNLSQMMGMDK-OAQYLSRUSA-N 449.624 5.206 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)c1 552375191 XAERQTOXLCZOPS-UHFFFAOYSA-N 435.270 5.853 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)c2)cc1 552624574 NYJVCZCPOFFMBI-UHFFFAOYSA-N 438.487 5.298 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1sc2nc(C(F)(F)F)ccc2c1C 553451175 ZJMWFQWRQRPREZ-UHFFFAOYSA-N 436.503 5.619 30 20 IKED N#C[C@H](C(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)c1nc(-c2ccccc2)cs1 554319428 BFKUTKMBPQCGTH-OAHLLOKOSA-N 440.406 5.369 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(Oc3cccnc3)nc2)cc1 556555022 PMNOVLIDDSLOEN-UHFFFAOYSA-N 438.512 5.685 30 20 IKED Cc1c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cccc1-c1ncco1 557358618 RRIMNCWNDINPGW-UHFFFAOYSA-N 425.513 6.066 30 20 IKED Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(Cc2cc(F)c(C(F)(F)F)cc2F)C1 570708400 BIIBLAGESHQQJX-SNVBAGLBSA-N 427.339 5.116 30 20 IKED N#Cc1ccc(N2CC[C@@H](C(=O)Nc3ccccc3-c3cc(F)c(F)c(F)c3)C2)c(F)c1 571749813 WRMLLZQZKPKGTO-OAHLLOKOSA-N 439.412 5.247 30 20 IKED C[C@@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)N[C@H](C)c1cc2ccccc2o1 576038504 XUEQMIVHOQITGK-IAGOWNOFSA-N 426.476 5.170 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCCC[C@@H]3c3nnc(C4CCC4)o3)cc2)ccn1 576674530 VMPUQTKTGBVECT-OAQYLSRUSA-N 444.495 5.155 30 20 IKED N#CC[C@@H](CC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccccc1 577307140 HXMZFHUSWGDZHH-CVDCTZTESA-N 430.470 5.377 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CC1 582320000 HSKQNRGZVGXGMG-VQTJNVASSA-N 442.485 5.003 30 20 IKED O=C(CCc1ccc(OC(F)(F)F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 589320244 GXIDYJUWDZQEPK-VXGBXAGGSA-N 437.302 5.107 30 20 IKED N#C[C@H](C(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1nc2cc(F)ccc2s1 592973328 CXMCXHDSBOJKPB-LJQANCHMSA-N 442.475 5.152 30 20 IKED N#C[C@H](C(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1nc2cc(F)ccc2s1 592974144 OJJOZNPDOORXKU-CQSZACIVSA-N 430.386 5.130 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CC[C@H]1Cc2ccccc2NC1=O 603533271 YWRJBUHJAIUESJ-QFIPXVFZSA-N 441.506 5.130 30 20 IKED CCc1nc2ccc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cc2nc1CC 603601179 CZYHEAQADTXLEI-UHFFFAOYSA-N 437.503 5.374 30 20 IKED Cc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1NC(=O)c1ccccc1 603622789 FWACDLVGERNPBA-UHFFFAOYSA-N 448.482 5.559 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3cccnc3)n2)cc1Cl 603758956 QCJXDZUAYBUCHS-OAQYLSRUSA-N 444.947 5.695 30 20 IKED C[C@H](NC(=O)CSCc1ccc(C#N)cc1)c1ccc(NC(=O)Nc2ccccc2)cc1 603900422 ISIZVTMAFKAEBU-SFHVURJKSA-N 444.560 5.313 30 20 IKED N#Cc1c(NC(=O)c2cnc3ccccc3c2C(F)(F)F)sc2c1CCCCCC2 603996013 AENXLWNPALOKMP-UHFFFAOYSA-N 429.467 6.098 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3oc4ccccc4c3CSC)n2)cc1 604417405 SJBLYFNWFPQBRG-QGZVFWFLSA-N 434.542 5.918 30 20 IKED O=C(Nc1ccc(F)c(F)c1F)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 606157494 MFWHTWLVWSLLRC-UHFFFAOYSA-N 447.253 5.238 30 20 IKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(CCC3CCCCC3)o2)ccc1Cl 608929870 YAOSCLWHQBKJLC-UHFFFAOYSA-N 447.004 5.583 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)c2)cc1 609177032 DNNCXLLSBMTXHW-UHFFFAOYSA-N 433.467 5.855 30 20 IKED N#Cc1ccc(CNC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c(F)c1 609239963 OPGPGHJLTKSRLN-UHFFFAOYSA-N 434.418 5.085 30 20 IKED COc1ccc(-c2nc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)cs2)cc1OC 609463523 BSFGFJNCHFVVSE-HNNXBMFYSA-N 448.331 5.129 30 20 IKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cccc(COc2ccccc2C#N)c1 609629953 MGYPVGCVEYCUPA-VPUSJEBWSA-N 440.543 5.377 30 20 IKED N#Cc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2Cl)c2c[nH]c3ccccc23)cn1 609640315 BQHVAFQAGKXPOF-IBGZPJMESA-N 435.314 5.303 30 20 IKED CCOC(=O)CC[C@@H]1CCCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1 611048466 UTEGRBRTUQKWEL-KRWDZBQOSA-N 440.927 5.199 30 20 IKED CC(C)NC(=O)Nc1ccccc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613404460 NUYSXEIFIPJMIC-CQSZACIVSA-N 446.454 5.335 30 20 IKED CC[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1OC(F)F 618554276 JIVPUNDDGZTOBL-LOWVWBTDSA-N 448.354 5.511 30 20 IKED Cc1sc([C@@H](C)NC(=O)N[C@H]2CCc3cc(C#N)ccc32)nc1-c1ccc(Cl)cc1 618820665 FCTHEIQBKANOSE-XCLFUZPHSA-N 436.968 5.691 30 20 IKED COc1ccc(-c2nnc(Sc3ccc(C#N)cc3[N+](=O)[O-])n2C2CCCCC2)cc1 619672589 JPKIJFCPQIGHMZ-UHFFFAOYSA-N 435.509 5.390 30 20 IKED O=C(Nc1ccc(F)cc1OCCC(F)(F)F)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 670039184 LCJLBEICUFKCDV-OAHLLOKOSA-N 442.375 5.743 30 20 IKED O=C(N1CC2(CC(F)C2)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 677104099 FKVYAITWBLYKDS-AAJCAMDUSA-N 427.404 5.069 30 20 IKED CC(C)Cn1ncc(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1C(F)F 677515299 SVBSSPPQVDXTLA-URLYPYJESA-N 435.359 5.116 30 20 IKED COc1ccc(C(=O)CCCCC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 680575406 BJGSOZJNFUAQOW-UHFFFAOYSA-N 429.476 5.136 30 20 IKED C=CCc1cc(OCC)cc(CN(CCC)C2CCN(C(=O)c3ccccc3)CC2)c1O 725787950 XBQVCOHJQDYFJD-UHFFFAOYSA-N 436.596 5.036 30 20 IKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1C1CCCC1)c1cccs1 726418943 GBUMELWTULCKIP-LFBRLHLCSA-N 445.585 5.220 30 20 IKED N#Cc1cccc(COc2ccc(NC(=S)Nc3ccc(F)cc3F)cc2Cl)c1 727979425 YFWYMPNBUVGEPS-UHFFFAOYSA-N 429.879 5.878 30 20 IKED Cc1ccccc1-c1noc(CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)n1 728052395 DKRKWSZALSKZAN-UHFFFAOYSA-N 430.895 5.761 30 20 IKED CC(C)(C)CN(CCC#N)Cn1nc(Cc2cccs2)n(-c2ccccc2)c1=S 729467995 KWCIPTASHXGFSY-UHFFFAOYSA-N 425.627 5.275 30 20 IKED CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 729888799 KOPTVULBGNWMRK-NSHDSACASA-N 447.771 5.115 30 20 IKED N#C[C@@H](C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1nc2cc(F)ccc2s1 730416226 BXZGASXFNAXQIQ-ZIUTZDDDSA-N 433.346 5.346 30 20 IKED N#C[C@H](C(=O)C1CCN(c2nc3ccccc3s2)CC1)c1nc2cc(F)ccc2s1 730421536 LXFUTEIUZBBMQY-OAHLLOKOSA-N 436.537 5.138 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 730994996 MVIVRCIHLWTANG-UHFFFAOYSA-N 429.807 5.525 30 20 IKED C[C@@H](CSc1ccccc1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 732494702 KNLBIOSLBDVWEM-RXVVDRJESA-N 430.529 5.555 30 20 IKED C#CCN(C(=S)Nc1cccc(C)c1C)[C@@H]1CCOc2ccc(Br)cc21 733086553 KWVFLBIHDOHMEV-LJQANCHMSA-N 429.383 5.222 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(-c3cccnc3)nc3ccc(C)cc23)c1 733770349 GRHJZEVSTKSKFH-NRFANRHFSA-N 436.515 5.216 30 20 IKED CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1cccc(COc2ccccc2C#N)c1 734201071 OZSMSWKXURMJRJ-KRWDZBQOSA-N 446.528 5.043 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)ccc21 734705423 DZIYPBZVFUPRDH-OAHLLOKOSA-N 448.832 5.251 30 20 IKED N#C[C@@H](C(=O)CCCCCNC(=O)NC1CCCCC1)c1nc2cc(Cl)ccc2s1 734706449 IGTWKWQFHWMEMH-KRWDZBQOSA-N 447.004 5.318 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)CCC3)[n+]2cc(O)cc(Cl)c2)c1 738009127 WEKRAJBMSLPHPJ-UHFFFAOYSA-O 447.967 5.126 30 20 IKED C[C@H](OC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)N(CCC#N)c1ccccc1 738740589 AZUIWQBOWZRIGF-SJORKVTESA-N 432.442 5.078 30 20 IKED CC(C)OC(=O)NCc1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 740456292 YKGPDLHHIJCMNU-UHFFFAOYSA-N 448.548 5.243 30 20 IKED N#C[C@H](C(=O)Cc1c[nH]c2ccc(Cl)cc12)c1nc2cc(C(F)(F)F)ccc2s1 740531223 LVWNCZZGFJOWHM-CQSZACIVSA-N 433.842 5.869 30 20 IKED N#Cc1cccc(COc2ccc(NC(=S)N[C@@H]3CCOc4ccccc43)cc2F)c1 741480447 AQRVYXXNSQMDDO-OAQYLSRUSA-N 433.508 5.087 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]cc2-c2ccc3c(c2)OCCO3)cc1 742047220 HCDJOPMXQDYRJB-QFIPXVFZSA-N 435.483 5.361 30 20 IKED CCN(CCC#N)Cn1nc(-c2ccc(Br)cc2)n(C2CCCCC2)c1=S 742540477 OLKHTWZYHHQXFK-UHFFFAOYSA-N 448.434 5.542 30 20 IKED C/C(=C\C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c1cccc(C(F)(F)F)c1 742561027 OLZCGPIRPJBGOP-NTEUORMPSA-N 426.360 5.571 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)cc1 744029024 PTKIXYUBACTKAD-FQEVSTJZSA-N 437.515 5.114 30 20 IKED C[C@@H](Oc1cccc(Br)c1)C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 744037171 OURBFTSIZRXMAC-DYVFJYSZSA-N 427.323 5.216 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cc1 747533497 KUAHCWPGZRRROG-NLFFAJNJSA-N 444.604 5.437 30 20 IKED CCN(C)c1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1 748442901 ZHDZOEMKFVGNIK-ZROIWOOFSA-N 439.968 5.833 30 20 IKED CC1=C(C(=O)Nc2ccccc2C(C)C)[C@@H](c2ccc(C#N)s2)NC(=S)N1C1CC1 749014662 NDYCMOYNSDNPNR-OAQYLSRUSA-N 436.606 5.049 30 20 IKED CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C#N)s2)NC(=S)N1c1ccccc1 749014843 PASCLSUZIKGLAU-QFIPXVFZSA-N 444.585 5.277 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(OC(C)C)cc2)n1 749338458 PQGHOEDNLBWOAW-LJQANCHMSA-N 443.528 5.592 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(C2CC2)[C@@H](C)c2ccc(Cl)cc2)cc1C#N 752298112 QZHUAWFBQCRYCH-AWEZNQCLSA-N 426.904 5.538 30 20 IKED C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1C#N)C(=O)Nc1ccc(Cl)cc1Cl 758126983 MBBKXOCPXYOJAY-VIFPVBQESA-N 431.197 5.068 30 20 IKED CCOc1cc(/C=C\C(=O)c2c[nH]c3ncccc23)cc(Br)c1OC(F)F 761818045 QJJYFRCWSCZMSB-WAYWQWQTSA-N 437.240 5.222 30 20 IKED C#Cc1ccc(-c2nc(-c3cccnc3Oc3ccc(C)cc3Br)no2)nc1 762352900 PDMLRYOYCXDDOO-UHFFFAOYSA-N 433.265 5.038 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc1C#N 775690103 PALAJIQWOKNDAN-UHFFFAOYSA-N 426.904 5.192 30 20 IKED C[C@H](NC(=O)C(C)(C)[C@H](O)c1ccc(OCc2ccccc2)cc1)c1cccc(C#N)c1 778827549 RQSTVRMALMTXAH-UQBPGWFLSA-N 428.532 5.074 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 780152464 SBJMISRISPAIMZ-HNNXBMFYSA-N 432.867 5.329 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F 780674106 JLYMPYMKRCDPJU-SNVBAGLBSA-N 430.238 5.207 30 20 IKED COc1ccc([C@H](NC(=O)Nc2ccccc2O[C@@H](C)C#N)c2ccccc2Cl)cc1 780681858 QXKXIRJRIGDECK-HJPURHCSSA-N 435.911 5.551 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)c1 780706563 NBWXRUYYLGNVCJ-MRXNPFEDSA-N 436.861 5.388 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3cc(Br)cc(C)c3o2)cc1 783075725 FEAKTRJJCBLARR-QGZVFWFLSA-N 425.282 5.027 30 20 IKED Cc1ccc(N(CCC#N)C(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 786845169 ULWQABWYLGHKEA-UHFFFAOYSA-N 443.334 5.621 30 20 IKED C[C@H]1CN(c2ccccc2F)CCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 789033610 PFEUCBMVHDSKRW-CVDCTZTESA-N 428.511 5.224 30 20 IKED C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 804255720 LGUGPVDQXAAETH-VZPUWSDOSA-N 427.479 5.328 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 806263122 BRPNIEPCCDHBEZ-DVECYGJZSA-N 445.588 6.249 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2C[C@H](C)CC[C@H]2c2ccccc2OC)cc1C#N 806364400 VUSFAKNQUXAEPG-IERDGZPVSA-N 436.512 5.140 30 20 IKED Cc1nn(C)c2sc(C(=O)/C=C/c3csc(COc4ccc(Cl)cc4)n3)cc12 806576898 JQZVOPDSAWIYLS-VMPITWQZSA-N 429.954 5.528 30 20 IKED Cn1c([C@H](C#N)C(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)nc2ccccc21 810519594 HVEWHZWCPAOXAN-OAHLLOKOSA-N 436.487 5.129 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2sc3ccc(Br)cc3c2C)n1 815923826 HEOJLGRUFXISJR-LBPRGKRZSA-N 449.351 5.096 30 20 IKED Sc1nnc([C@H]2CCCO2)n1N=Cc1ccc(-c2ccc(Cl)c(Cl)c2)s1 914866963 QEZXVMQIDOHVMZ-CQSZACIVSA-N 425.366 5.336 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1nc2ccccc2o1 915102760 GPPPHYXVWWZCSH-AWEZNQCLSA-N 426.259 5.599 30 20 IKED CCCOc1ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1OC 916277208 YLANKZPYZBCKAL-UHFFFAOYSA-N 437.352 5.220 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 916902022 CAYZOXMPIFPIPH-AEFFLSMTSA-N 442.943 5.204 30 20 IKED COc1ccc2cc(/C=C\C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2c1 916945480 WCKNSKMMZBJEFA-IZCBQFLQSA-N 439.298 5.516 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(Cc3ccccc3)nc2C)cc1 916947965 CPCKCPTXDHEBSF-KKSFZXQISA-N 431.561 5.517 30 20 IKED Cc1nn(C)c(Cl)c1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997153 SACMIOSILHUHEF-LLVKDONJSA-N 425.728 5.302 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 920101543 DAWVLOBLPDKYOF-IBGZPJMESA-N 438.443 5.334 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cc[nH]c4nccc3-4)cc2)CCC1 1788454346 JTRLJRDNRINBND-UHFFFAOYSA-N 428.536 5.031 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790082893 UUJNRAUNRDDTRK-UHFFFAOYSA-N 433.939 5.153 30 20 IKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C(F)(F)F)c1C 1803833134 XHXXHJXIPJTRGD-REPLKXPHSA-N 434.502 5.034 30 20 IKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1 1812671738 KUKYPEGDHKHIEV-RBBKRZOGSA-N 449.586 5.295 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2c(C)cc(C)cc2C)[C@@H]1c1cccnc1 1813783268 GQKUAAMKBOIBBS-RSXGOPAZSA-N 445.607 5.095 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)cc(F)c2F)[nH]n1 1819308764 ATRUJSMQAZIDHM-UZLBHIALSA-N 442.510 5.071 30 20 IKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(C)C)CC2)[nH]n1 1822583236 KMZLEFSDRBRNSS-KCZVDYSFSA-N 426.605 5.058 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3CC[C@H](C)CC3)n[nH]2)c1 1822945891 VTRXPOKTABFBJO-FZONSQQESA-N 447.583 5.169 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cnc2Cl)CC1 1826191590 FMBBLZSRAKMSNE-IFMALSPDSA-N 444.019 5.045 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2oc3ccccc3c2C)CC1 1828124518 DKTMZIPKUSILSB-XMMPIXPASA-N 448.607 5.743 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3cc[nH]c23)CC1 1828315431 RGTJJGAENLJRTK-XMMPIXPASA-N 433.596 5.170 30 20 IKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2cccc(O)c2)c(Cl)c1 22732741 NPMPWTSDILOAAR-UHFFFAOYSA-O 447.914 5.279 30 20 IKED CCOc1cc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)ccc1OCc1ccccc1 60203583 WQSKNCZOQRBABF-ACCUITESSA-N 443.499 5.517 30 20 IKED C=CCN(C(=O)CCCc1ccc(OC)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 61113436 RKCHBJNERFXFOW-UHFFFAOYSA-N 437.521 5.269 30 20 IKED C[C@@H](NC(=O)CCCCOc1cccc(C#N)c1)c1cccc(NC(=O)c2ccccc2)c1 78876255 HDDDEFWJVGCGSY-HXUWFJFHSA-N 441.531 5.237 30 20 IKED N#CCOc1ccc(C(=O)/C=C\c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 207042692 SQKMVPBFZCRGEL-RAXLEYEMSA-N 425.513 5.458 30 20 IKED CCOc1cc(/C=C\C(=O)c2cccc(OC)c2)ccc1OCC(=O)Nc1ccccc1 210426466 CAPTZPFFSOKBOZ-OWBHPGMISA-N 431.488 5.008 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3[nH]2)c1 303806898 ULKANUWGBUHCLV-UHFFFAOYSA-N 444.922 5.943 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc2c(c1)nc(C(F)F)n2C 409580148 YXTGZQKSENQXTJ-UHFFFAOYSA-N 432.430 5.736 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 410085657 UGYKUYNRJVIEEX-QGZVFWFLSA-N 434.471 5.130 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 429795789 ZAUVURNSHMESCT-KRWDZBQOSA-N 433.325 5.385 30 20 IKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(SCC#N)c1 429924650 KGRHTNLNOZNLTD-UHFFFAOYSA-N 426.929 5.058 30 20 IKED Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)[C@H](C#N)c1nc2ccccc2n1C 430519869 LUQXXMIITMAZSU-ZDUSSCGKSA-N 425.275 5.334 30 20 IKED N#Cc1ccc(CSCC(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)cc1 431141733 ZPXIFZIFNGREIS-LJQANCHMSA-N 433.346 5.057 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F 432577855 IEYSYPMYIYQFBY-IBGZPJMESA-N 440.893 6.066 30 20 IKED N#CCCC[C@H](NC(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1 433128430 WTZPULOEMADWOI-DEOSSOPVSA-N 447.560 5.217 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3cccc(-c4noc(C5CC5)n4)c3)c2)c1 433937548 VWNLWTICFXJFGK-UHFFFAOYSA-N 436.471 5.317 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(NC(=O)N(C)C)cc1Cl 435009664 UTLYRQIHIUODRP-UHFFFAOYSA-N 448.910 5.658 30 20 IKED CCCCOc1ccc(NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)c(C)c1 437256624 MKYUBAJFHCJPPD-QGZVFWFLSA-N 425.554 5.145 30 20 IKED COc1ccc(C#N)cc1NC(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 438207902 LWDDPBWKGUXMKU-UHFFFAOYSA-N 442.397 5.095 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C[C@@H](C)O)[C@@H](C)Cc1ccc(Cl)cc1 441639708 XJYDPANRMZVPHB-OKZBNKHCSA-N 446.016 5.438 30 20 IKED Cc1ccc([C@H](Cn2ccnc2)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)c(C)c1 442192177 ISXNWRAQYAOXCY-AVRDEDQJSA-N 433.581 5.315 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc(Oc2ccc(C)cc2)nc1 446520622 FLDJOEPOLFSUMO-UHFFFAOYSA-N 441.940 5.051 30 20 IKED O=C(NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1cc(F)c(F)c(F)c1F 460478801 XFQQSOJVCHBJRD-UHFFFAOYSA-N 444.306 5.379 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](C)CC(=O)c2ccccc2F)cc1 463613307 PCEMLDTYLRPJNI-MRXNPFEDSA-N 432.451 5.346 30 20 IKED CC(C)Oc1ccc(NC(=O)c2c(F)cc(C(F)(F)F)cc2F)c(C(F)(F)F)c1 463947841 TVIDJUUYSFXZCM-UHFFFAOYSA-N 427.291 6.042 30 20 IKED N#C[C@H](C(=O)c1ccc(Sc2ccccc2Cl)nn1)c1cc(C(F)(F)F)ccn1 464408422 DHGBIBZYIZGBPL-LBPRGKRZSA-N 434.830 5.185 30 20 IKED C=CCn1c(SCC(=O)N2C[C@H](C)[C@H]2c2ccccc2)nnc1-c1ccc(Cl)cc1 464539449 CECZWDYHXDKDBC-KKSFZXQISA-N 438.984 5.096 30 20 IKED CC(C)CCOc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)cc1 465334819 SJMNQIRUAGGMOW-UHFFFAOYSA-N 447.495 5.049 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1nc(C2CCCCC2)no1 467042820 COYSGSIABOOLDT-KRWDZBQOSA-N 445.523 5.972 30 20 IKED N#Cc1cc(CSc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)ccc1F 469186074 ZXVYRHGVRLYWOK-UHFFFAOYSA-N 444.491 5.025 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)o1 471644777 CSCSJJITCLVBKC-UHFFFAOYSA-N 444.422 5.049 30 20 IKED C[C@H](NC(=O)C(=O)Nc1cccc(Sc2ccc(Cl)cc2)c1)c1ccc(C#N)cc1 473234220 LSCOFJVCAJJDPV-HNNXBMFYSA-N 435.936 5.179 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1noc(-c2ccccc2)n1 473794144 AXUXNKLBIPMCLA-KRWDZBQOSA-N 439.475 5.592 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 475543706 DRWMHGDOJFEWJK-UHFFFAOYSA-N 437.971 6.745 30 20 IKED N#CC[C@H](CC(=O)N1CCC[C@H]1c1ccccc1I)c1ccccc1 476047147 BNORBHCOLXRVTK-XLIONFOSSA-N 444.316 5.042 30 20 IKED C=C(C)[C@@H](NC(=O)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1)c1ccc(F)c(F)c1 477736296 CVBKMYBZHVXHHK-YCRPNKLZSA-N 429.442 5.452 30 20 IKED N#C[C@H](C(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1)c1cnc2ccccc2n1 483199484 JNUKGXJDBLPUEX-AWEZNQCLSA-N 435.270 5.614 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccc(F)cc1Br 484129149 BROWYZZPWCLWJC-ZDUSSCGKSA-N 436.350 5.646 30 20 IKED CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 485542175 JQQOLYCPYAJZNW-UHFFFAOYSA-N 448.544 5.316 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccn(-c2c(F)cccc2F)n1 487328956 WQBMYNMCCRLXLM-UHFFFAOYSA-N 444.441 5.162 30 20 IKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1Cl)c1cccc(C(F)(F)F)c1 490491349 JZOCHANPROMOEV-SFHVURJKSA-N 437.849 5.073 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 490653504 UTXVERNWCGYNNL-UHFFFAOYSA-N 435.527 5.944 30 20 IKED C=CCN(CCc1ccco1)C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 493981810 GLCWWJNEPJSWRR-UHFFFAOYSA-N 428.361 5.073 30 20 IKED N#C[C@H](C(=O)c1cnc(OC2CCCCC2)c(Cl)c1)c1nc2ccccc2n1C(F)F 496354587 FJBMEXCYFYAQMD-OAHLLOKOSA-N 444.869 5.681 30 20 IKED COc1cc(CNc2cccc(C#N)c2C)ccc1OCC(=O)Nc1ccccc1Cl 500700397 VGETZCUSENYPRA-UHFFFAOYSA-N 435.911 5.158 30 20 IKED C[C@]1(c2ccccc2)CCCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 502264027 ZJLYXSKTXZWQSZ-QHCPKHFHSA-N 449.605 5.288 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(OCC3CC3)cc2)cc1 503248622 PBJSTLFYRHSASF-UHFFFAOYSA-N 429.495 5.720 30 20 IKED CCCOc1cn(-c2ccccc2)nc1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 503556086 NTRGBBCXQLCOGC-LJQANCHMSA-N 428.517 5.275 30 20 IKED CCCOc1cn(-c2ccccc2)nc1C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 503584714 IYQFFDNQTDVIOQ-FQEVSTJZSA-N 442.544 5.583 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C 506159786 KGNUEDXOSWAPLV-SFHVURJKSA-N 448.592 5.682 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ncccc2F)n1)c1nc(-c2ccc(Cl)cc2)cs1 509901425 QXYZDNVCRJBRLJ-ZDUSSCGKSA-N 440.912 5.611 30 20 IKED COc1cccc([C@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 509920270 RACZKVRSORKPHU-AREMUKBSSA-N 441.531 5.709 30 20 IKED Cc1ccc(Cc2nc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)cs2)cc1 511025094 DIJVDXJRTURMQC-UHFFFAOYSA-N 429.467 5.119 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(NC(=O)c4ccccc4)cc3)n2)cc1 512488801 LTUHIYAGRMWXKX-JOCHJYFZSA-N 448.507 5.424 30 20 IKED Cn1c([C@H](C#N)C(=O)c2ccc(-c3ccc(Br)cc3)s2)nc2ccccc21 513664868 AIWBSRVICBCZLL-OAHLLOKOSA-N 436.334 5.554 30 20 IKED C=CCc1cc(CNCc2ccccc2-c2ccc(Cn3cccn3)cc2)cc(OC)c1O 517320895 OTTXSDQCOUAEDO-UHFFFAOYSA-N 439.559 5.331 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 517792652 WNRPMSWVOBISFE-UHFFFAOYSA-N 427.430 5.205 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(N[C@H](C)c2ccccc2)c(Cl)c1 520444088 UOLPFLWZQUXUNM-QGZVFWFLSA-N 449.986 5.811 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1 520826199 FSDBSNFWTDOVTF-CQSZACIVSA-N 444.528 6.521 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(-c2ccc(F)cc2)no1 521733109 GADMNJGLJYGLML-HNNXBMFYSA-N 441.553 5.747 30 20 IKED CSc1ncc(C(=O)Nc2ccccc2SC[C@H](C)C#N)n1-c1ccc(F)cc1 521734236 KYBGRVRLYGXTBN-CQSZACIVSA-N 426.542 5.237 30 20 IKED O=C(CCc1nnc(-c2cc3ccccc3o2)o1)Nc1cccc(C#Cc2ccccc2)c1 523543251 FJEIPRRDJGCGPE-UHFFFAOYSA-N 433.467 5.454 30 20 IKED COc1ccc(-c2csc(CNCc3cn(CCC#N)nc3-c3ccccc3)c2)cc1 531335255 GRVRJCJUZLQCGO-UHFFFAOYSA-N 428.561 5.491 30 20 IKED CCCc1noc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1 542123261 LGZJGUMONLTZNV-ZDUSSCGKSA-N 435.290 5.453 30 20 IKED CO[C@H](C)CCC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 544012523 BIPGLKLVJQLGPX-AMIZOPFISA-N 425.291 5.259 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F 544250514 RXJOTOKLLUMUMO-DIFFPNOSSA-N 429.414 5.784 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 544573348 UUKHULIDMCZMDY-OZOXKJRCSA-N 427.545 5.461 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)c2cccc(OCc3cccc(Cl)c3)c2)CC1 548839450 KTNYIJKBHFMXGD-UHFFFAOYSA-N 431.923 5.012 30 20 IKED CCOC(=O)C1CCC(N(CC)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 548943923 CEPONTTYLPAZNL-UHFFFAOYSA-N 435.524 5.326 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)N(C3CC3)[C@H]3CCCC[C@H]3C3CCCCC3)CC2)o1 551586610 HCRXUFPHPOHAPA-UPVQGACJSA-N 438.616 5.201 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1c(F)cncc1F 554138057 KMLZXLBJRVTKLX-DYVFJYSZSA-N 426.854 5.551 30 20 IKED CC(C)c1noc(Cc2ccc(NC(=O)c3cn(CCCC#N)c4ccccc34)cc2)n1 555142063 FVIYRIQYIHOMJE-UHFFFAOYSA-N 427.508 5.295 30 20 IKED C=CCc1cc(CN[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc(OC)c1O 556408982 MMMVPOWYFLLQPW-QFIPXVFZSA-N 435.486 5.406 30 20 IKED CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 558762196 MTBHZQXGNCQBJU-UHFFFAOYSA-N 434.427 5.104 30 20 IKED CCC[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccc(F)cc1F 561603552 VGYNWDJQTSFWGO-OAQYLSRUSA-N 431.458 5.070 30 20 IKED CC(=O)N(c1nc(COc2ccc(C#N)c(C)c2)cs1)c1c(C)cc(C)cc1Cl 562450721 ZFMAKOVHBUJENV-UHFFFAOYSA-N 425.941 5.857 30 20 IKED Cc1ccc(Cl)c(N(Cc2cccnc2)C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c1 564157134 QWGQQEMKFCTFCL-HXUWFJFHSA-N 448.929 5.114 30 20 IKED CN(CCCOc1cccc(Cl)c1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 568453010 XWAPUFIZRXTXAM-UHFFFAOYSA-N 436.899 5.332 30 20 IKED C[C@@H]1CCCCN1C(=O)c1ccc(NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1Cl 570401860 ATKQTLVHRANBOU-QGZVFWFLSA-N 447.970 5.239 30 20 IKED CC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1F 571891166 LRBYCKJNFOURJG-QQYMGJJXSA-N 437.540 5.198 30 20 IKED C[C@@H]1c2nnc(C3CCCC3)n2CCN1CCC(C#N)(c1ccccc1)c1ccccc1 574423371 CYSGWCYNJNGHAC-OAQYLSRUSA-N 425.580 5.212 30 20 IKED Cc1nn(-c2ccccc2)cc1CCCNC(=O)Nc1ccccc1SC[C@@H](C)C#N 584130223 OBXWWJBMOXBVIO-SFHVURJKSA-N 433.581 5.187 30 20 IKED C[C@H]1CCCN1C(=O)c1ccc(-c2noc(-c3cn(CCCC#N)c4ccccc34)n2)cc1 584138769 BJMFMQSNWXHTOP-SFHVURJKSA-N 439.519 5.287 30 20 IKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(Cc3ccc(C#N)cc3)CC(C)C)c12 603530755 ZCLKNGSADVRUBB-UHFFFAOYSA-N 437.547 5.114 30 20 IKED COC(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1 603613780 SMYJTCGHTJTJFB-NSHDSACASA-N 437.329 5.455 30 20 IKED CCN(C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1)[C@@H](C)c1ccc(C#N)cc1 603726706 XHIDPWZCXPIBDT-KRWDZBQOSA-N 442.544 5.463 30 20 IKED N#Cc1c(SCC(=O)Nc2ccccc2OC(F)F)nc2c(c1-c1ccco1)CCC2 603818380 FYKLESRZCYPACH-UHFFFAOYSA-N 441.459 5.034 30 20 IKED C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1 603992221 KGNKGLWTFIFPKE-LIRRHRJNSA-N 427.529 5.232 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cc1Cl 604316377 BNYVBEDHOPOQJQ-FPOVZHCZSA-N 435.915 5.015 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1ccc2ccccc2n1 608552786 MCEFLMKTYPCKEG-AWEZNQCLSA-N 435.270 5.614 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)cc1 609298747 RWZUFCPBEPBZPR-UHFFFAOYSA-N 439.450 5.404 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3SCc3cscn3)cc2)c1 609426855 MYEYDESZVYOFKX-UHFFFAOYSA-N 443.553 6.352 30 20 IKED CCN(C[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609434198 CNKSZEJNCZJBBL-QFIPXVFZSA-N 429.476 5.044 30 20 IKED C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 609510229 DVUJDIXWZMUZCN-HNNXBMFYSA-N 428.410 5.110 30 20 IKED N#C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1Br 609592329 DTYMXRXHHAXJRD-QGZVFWFLSA-N 444.716 5.071 30 20 IKED COC[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(C(F)(F)F)c1 609826799 CDSINZROFONDKN-KBXCAEBGSA-N 437.487 5.466 30 20 IKED CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 610174587 RPKVLBBUPPLGIX-UHFFFAOYSA-N 427.504 5.217 30 20 IKED C[C@H](NC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1)c1cccc(C#N)c1 610407187 XARVLMQYWNBLSU-INIZCTEOSA-N 439.346 5.733 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)[C@@H]1COc2ccccc21 611109448 JXVVLTZKBVAWFQ-JPYJTQIMSA-N 427.504 5.132 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)Cc2ccc(Br)c(Cl)c2)cc1 615713099 COKHSSSLUKEAJU-UHFFFAOYSA-N 445.666 5.108 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 618783639 IDZFMQQZYPKRJQ-JLTOFOAXSA-N 437.952 5.292 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2ccc(F)cc2)CCCC1 642157485 VWHQZJFRGTXOEF-ZIAGYGMSSA-N 425.388 5.663 30 20 IKED Cc1ccc(OC(F)F)c(CNC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 674931877 CDFXIMMXSYQITF-VXGBXAGGSA-N 448.354 5.305 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)ccc2OC)[n+]2ccc(CC)cc2)c1 726573343 XSKHGISXKUWEAO-UHFFFAOYSA-O 429.565 5.158 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(Cc3ccc(F)cc3)n2)cc1 727038169 HANWOMGGESXWSU-HXUWFJFHSA-N 435.524 5.177 30 20 IKED C=CCn1c(-c2cccnc2)nn(CNC(CC)(CC)c2ccc(Cl)cc2)c1=S 728900762 SLHHIRWCHKLUPG-UHFFFAOYSA-N 428.005 5.578 30 20 IKED CC[C@H](C)n1c(-c2ccccc2)nn(CN2CCC(Oc3ccc(C#N)cc3)CC2)c1=S 728903500 QCPHJNQVKIGGCK-IBGZPJMESA-N 447.608 5.425 30 20 IKED N#CCOc1ccc(CSc2nnc(Nc3ccc(SC(F)F)cc3)s2)cc1 729241105 KHJUZUYIVSUBEF-UHFFFAOYSA-N 436.534 5.791 30 20 IKED CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(O[C@H](C)C#N)cc2)NC(=O)N1c1ccc(C)cc1C 731431482 MOPZSUJVAKQKQL-HOYKHHGWSA-N 447.535 5.091 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 732595825 AHWNSXLPRVCUKP-UODIDJSMSA-N 438.527 5.279 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(Oc3cccnc3)c(C)c2)ccc1OC 733628319 XHCZGJZXKQQQSG-FQEVSTJZSA-N 446.507 5.194 30 20 IKED C=CC[C@@H](NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccncc1 734656047 YAGPZIZUTPAWGX-XMMPIXPASA-N 441.510 5.190 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)OCc2nnc(-c3ccccc3)o2)c1 735007203 JMAATVROYSJRKT-UHFFFAOYSA-N 431.835 5.411 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 735013425 GOEYWYQFDUAUHT-IBGZPJMESA-N 445.906 5.615 30 20 IKED C[C@@H](SCc1cc(Cl)ccc1OCC#N)C(=O)Nc1ccc(Br)cc1 735319263 XILGTJIGOHYEMK-GFCCVEGCSA-N 439.762 5.265 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Cc3ccc(C(F)(F)F)cc3)n2)cc1 739160532 UDOHKUSTYZRZNX-AUUYWEPGSA-N 444.478 5.893 30 20 IKED CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 741538352 MAOMZGYRXUXXRZ-DEOSSOPVSA-N 425.532 5.257 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(N4CCSCC4)cc3)cc2)cc1 741574984 GKVBISNFIGCGFO-UHFFFAOYSA-N 429.545 5.350 30 20 IKED Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 743093107 MJHFXHHUVZNGMX-URORMMCBSA-N 439.559 5.940 30 20 IKED N#CC1(C(=O)Oc2cc(-c3ccc(Br)cc3)c3oc(=O)sc3c2)CCCC1 746097908 CPMZDVIWMKWEDA-UHFFFAOYSA-N 444.306 5.273 30 20 IKED COc1ccc(/C=C2/SC(=S)N(c3cc(C)ccc3F)C2=O)cc1OCCCC#N 747473095 PXGJKASTGHWLLZ-DEDYPNTBSA-N 442.537 5.231 30 20 IKED CN(C(=O)Nc1cccc(OCC#N)c1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 750589559 UQRHCRBLQAEJRN-UHFFFAOYSA-N 440.330 6.149 30 20 IKED Fc1cc(-c2ccncc2)ccc1C=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1 752732077 BTDDDZVAIHXWGF-UHFFFAOYSA-N 438.388 5.205 30 20 IKED O=C1Nc2ccc(C(F)(F)F)cc2C1=NNc1ncnc2sc(-c3ccccc3)cc12 754256006 TXGSUESGBVOHOJ-UHFFFAOYSA-N 439.422 5.145 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2nc(C(F)(F)F)cs2)cs1 755904514 OTEFYPLKLGFRCQ-UHFFFAOYSA-N 445.879 5.402 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)CSc3ccc(F)cc3)n2)cc1 756241330 CPCLTLWDTMBXGO-KUHUBIRLSA-N 426.538 5.562 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1c(Cl)cc(F)cc1Cl 763568558 QHFFSYQPHPHTFM-LLVKDONJSA-N 441.311 5.322 30 20 IKED Cc1nc([C@H](C)OC(=O)CCc2c(C)nc(O)c(C#N)c2C)oc1-c1ccc(Cl)cc1 763906847 CKZNCVWVDXSAKO-HNNXBMFYSA-N 439.899 5.130 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccc([N+](=O)[O-])c1 763944915 PHYDGIDGRUFUSV-MEDUHNTESA-N 446.315 6.005 30 20 IKED Cc1ccc(C(=O)O[C@H](C#N)C(C)(C)C)cc1NC(=O)c1ccc(Br)cc1 765630152 QSRMFFAGNODYBF-GOSISDBHSA-N 429.314 5.105 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc([C@H]2CCCOC2)c1 766622965 LRHZBHKJLDUMIG-GMAHTHKFSA-N 440.499 5.334 30 20 IKED C#CCCN(CC(F)(F)F)C(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 767164400 GNZPRCNQPZKLRB-ZDUSSCGKSA-N 430.879 5.031 30 20 IKED N#Cc1ccc(NC(=O)CCCCCCC(=O)Nc2ccc(C#N)cc2Cl)c(Cl)c1 769728426 FLTICRSUYRNPHF-UHFFFAOYSA-N 443.334 5.655 30 20 IKED COc1ccccc1N=C1SCCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1 772016969 GOGVKEYOFCSHIQ-UHFFFAOYSA-N 441.553 5.227 30 20 IKED CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)c1 772983436 HWWTZZDIEANTPP-UGKGYDQZSA-N 433.577 5.667 30 20 IKED N#C[C@@H](C(=O)c1ccc(-n2cnc3ccccc32)nc1)c1nc2cc(Cl)ccc2s1 775228430 VNHRIFUVJLNJIH-HNNXBMFYSA-N 429.892 5.174 30 20 IKED Cc1cc(CNC(=O)OC(C)(C)C)ccc1N(C(=O)c1ccc(C2(C#N)CC2)cc1)C1CC1 776954023 RGSJMZRBQKVEQJ-UHFFFAOYSA-N 445.563 5.384 30 20 IKED C=CC[C@H](C(=O)OCc1csc(N(C(C)=O)c2cccc(C)c2C)n1)c1ccccc1 778416700 BENWEXQJSYPRDY-QFIPXVFZSA-N 434.561 5.848 30 20 IKED CC1(C#N)CCN(Cn2nc(-c3cccs3)n(-c3ccc(Cl)cc3)c2=S)CC1 779878355 ICSOGRNSSITAGE-UHFFFAOYSA-N 430.002 5.368 30 20 IKED N#Cc1ccc(NC(=S)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)cc1Cl 781543419 KJJPZTXNUOPGRT-KRWDZBQOSA-N 425.863 5.001 30 20 IKED CC(C)c1ccc(S(=O)(=O)c2ccc(NN=Cc3scnc3C3CC3)cc2)cc1 782152092 NARQPXAWNLNWST-UHFFFAOYSA-N 425.579 5.423 30 20 IKED CCCc1c(NC(=S)Nc2cc(OCC)ccc2OCC)cnn1-c1cccc(C#N)c1 783951902 KCKCTPMOYNYZIH-UHFFFAOYSA-N 449.580 5.303 30 20 IKED N#C[C@@H](C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)C(=O)NCc1cccc(Cl)c1 786547884 YJVTWTDODQHSGD-RRGWEWPQSA-N 441.236 5.051 30 20 IKED C=CCn1c(-c2ccc(C)cc2)nn(CN(CCC(F)(F)F)CC(F)(F)F)c1=S 790411643 IPEBPCZNTUXPRR-UHFFFAOYSA-N 438.441 5.350 30 20 IKED N#Cc1ccc(C[C@H](C#N)C(=O)OCc2cc(Cl)c(Br)c(Cl)c2)cc1 791739654 ADRURVMMMQEWKU-CQSZACIVSA-N 438.108 5.053 30 20 IKED CCc1c(NC(=O)NCc2cccc(O[C@@H](C#N)CC)c2)cnn1-c1cccc(Cl)c1 792488747 SEFOIXWLTGSOGU-LJQANCHMSA-N 437.931 5.091 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H]2CCCc3cc(Br)ccc32)ccc1OC 794812000 VCKMWNHZXUPBIQ-ICSRJNTNSA-N 429.358 5.306 30 20 IKED COc1ccc(NC(=O)[C@@H](OC(=O)C[C@H](CC#N)c2ccccc2)c2ccccc2)cc1 795981080 LHZRNHOXXASXOC-OFVILXPXSA-N 428.488 5.006 30 20 IKED Cc1c(C(=O)OC2CCN(C(=O)c3ccc(Cl)cc3)CC2)sc2ccc(C#N)cc12 797172318 ZVAGZULFDQPRKK-UHFFFAOYSA-N 438.936 5.196 30 20 IKED C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(c2cc3ccccc3[nH]2)CC1 800775554 OUEFFUFNMIHXPY-UHFFFAOYSA-N 443.551 5.014 30 20 IKED CCOc1ccc(C(=O)N2CCCCC2)cc1NCc1ccc(C#N)cc1C(F)(F)F 811471785 WYYRYOBPRFTEQY-UHFFFAOYSA-N 431.458 5.214 30 20 IKED CC(C)(C)OC(=O)N[C@H](CCC(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)c1ccccc1 813216676 WTCMQPHGCHGOBB-ZWKOTPCHSA-N 447.457 5.323 30 20 IKED C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2cc(Cl)c(OC)c(OC)c2)no1 904408212 XXTFFNZXKBJNOT-CYBMUJFWSA-N 444.315 5.116 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(OC)c1 915351553 DWEZUTBXGMZKAK-LOSJGSFVSA-N 441.531 5.728 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1OC(C)C 915352265 GPZSSIIAJLSBOV-YADARESESA-N 443.547 6.021 30 20 IKED O=C1CCc2cc(C(=O)/C=C\c3cccc(NC(=O)c4ccc(Cl)cc4)c3)ccc2N1 915993766 YNXFWNOPSRMBEH-QCDXTXTGSA-N 430.891 5.373 30 20 IKED O=C(/C=C/c1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1)c1cccc([N+](=O)[O-])c1 916136440 OOPDJIYKAAERMS-DCIPZJNNSA-N 428.400 5.295 30 20 IKED Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1ccc(N2CCCCC2)cc1 916333264 HIUYMMBXVAAPBZ-UHFFFAOYSA-N 432.380 5.413 30 20 IKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)sc2nc(C(F)(F)F)ccc12 917426172 JGROOIRQSNVABD-NSHDSACASA-N 437.830 5.238 30 20 IKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1sccc1-c1ccc(C)cc1 917506191 VBHQXDRHRTWJSW-GOSISDBHSA-N 434.517 5.051 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)cs1 917560359 WQZAGPWHKNPMCV-NTEUORMPSA-N 445.544 5.159 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2sc(C(C)(C)C)nc2C)cs1 917560859 ZZIBXOSSWQHGFU-DHZHZOJOSA-N 443.569 5.925 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1Cl 920111258 KEUNHUSWPPGQCB-MLGOLLRUSA-N 438.833 5.209 30 20 IKED COc1ccc(S[C@H](C)C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920807192 ZORXCVNKDYSYRF-DOMZBBRYSA-N 430.501 5.454 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4nccc-4c3)CCC2)cc1 1786103725 VXEUWWMSWGBODU-UHFFFAOYSA-N 428.536 5.031 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccsc4)CCC3)cc2)c1 1790255763 MPVRZDVFYDTWTF-BJMVGYQFSA-N 427.529 5.081 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(-c4cnco4)c3)CCC2)cc1 1791254487 QVBKYEKPVAMQEN-GOSISDBHSA-N 429.520 5.302 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)CCC=C)[C@H]1c1cccnc1 1802492833 QQMMXUWRUHTHDA-VXKWHMMOSA-N 425.617 5.072 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/Sc2ccc(C)cc2)[nH]n1 1821922532 MDZCFTTUSPVDMF-RPHAWSJCSA-N 438.597 5.228 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 1824141240 UTFUPHFGDNJVGB-DEOSSOPVSA-N 443.031 5.271 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccsc2)CC1 1825301472 YHQUZDZLMVUGPO-HYGBKTPJSA-N 428.642 5.373 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC)cc2C)CC1 1828827866 YBZXLVOBLGZNNS-UKILVPOCSA-N 438.612 5.005 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 1831372708 HSCPNZXNGUDOJI-UWJYYQICSA-N 442.600 5.486 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)n1 10399425 ZUVVHEAQKQYEBF-JTQLQIEISA-N 448.297 5.557 30 20 IKED C=CCN(C(=O)c1cc(F)c(F)cc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14724276 SGVBPMRHALIZIR-UHFFFAOYSA-N 435.839 5.483 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2F)c1 15422103 NPHXTXZNQPFUBX-UHFFFAOYSA-N 444.915 5.113 30 20 IKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3nncn3C(C)C)c2C#N)C1 22302285 UIMHLDVUOIRRSN-CQSZACIVSA-N 431.631 5.064 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2C)[n+]2ccc3c(c2)CCCC3)cc1 22695812 FOLBAGHEUPRZBM-UHFFFAOYSA-O 445.608 5.611 30 20 IKED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1ncnc2cc(-c3ccc(F)cc3)sc12 23874878 NHRUIQLADOGXOE-LRTDBIEQSA-N 428.558 5.032 30 20 IKED C=CCn1c(SCc2csc(-c3ccccc3OC)n2)nnc1-c1ccc(F)cc1 30762222 UZPNAFYVKMBWJM-UHFFFAOYSA-N 438.553 5.695 30 20 IKED C[C@@H](Sc1nnc(-c2cccs2)n1Cc1ccccc1)C(=O)Nc1cccc(C#N)c1 36794904 QAXJNSJNCJBVAH-MRXNPFEDSA-N 445.573 5.046 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 46879954 QMHASEIOQYVSCO-HNNXBMFYSA-N 434.477 5.082 30 20 IKED CCn1c(SCC(=O)Nc2cc(C#N)ccc2C)nnc1-c1ccc(Cl)cc1Cl 63960990 IXKSZPMWTNIJRQ-UHFFFAOYSA-N 446.363 5.183 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccccc2N2CCCC2)cc1 64309144 QLPINMRNXSDATA-UHFFFAOYSA-N 427.573 5.381 30 20 IKED COc1cc(C)c([C@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cc1OC 97393152 DHVPCLZIVTYTHU-KRWDZBQOSA-N 432.545 5.526 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(-c2cccc(Cl)c2)on1 108477735 AUWWWYSXHBSHCI-UHFFFAOYSA-N 430.851 5.615 30 20 IKED COc1ccc2c(c1)CN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)cc1C)CC2 216758375 OMHZNPUSELOYMA-UHFFFAOYSA-N 427.504 5.045 30 20 IKED CC(C)Oc1ccc(CNCc2cn(CCC#N)nc2-c2ccccc2)c(C(F)(F)F)c1 236789104 CYGYEGBBZGTMBP-UHFFFAOYSA-N 442.485 5.560 30 20 IKED O=C(CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccccc1C(F)(F)F 247750100 VFDHHGGEVDMWFM-UHFFFAOYSA-N 430.270 5.794 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 303253646 CRKUOYBNCSLVCT-ZDUSSCGKSA-N 431.348 5.683 30 20 IKED Cc1c(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)sc2ccc(C#N)cc12 428134496 LNJNDOJECZTJLC-UHFFFAOYSA-N 425.941 5.373 30 20 IKED N#CCCn1ncc(C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)c1-c1ccccc1 428799487 WEHJVWDIMGIXSQ-LJQANCHMSA-N 448.954 5.048 30 20 IKED CCN(C(=O)c1cccc(SCC#N)c1)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 430910201 DZMRHFSAPITWCT-VWLOTQADSA-N 429.589 6.072 30 20 IKED COc1ccc(NC(=O)c2ccc(NC(=O)c3sc4ccc(C#N)cc4c3C)cc2)cc1 431251801 VUBKVPMCRKEQJH-UHFFFAOYSA-N 441.512 5.595 30 20 IKED CC1(C)CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)[C@@H]1c1cccnc1 432682982 WMSACUZGFROXML-XMMPIXPASA-N 426.520 5.342 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCc1cccc(C(F)(F)F)n1 432752032 HRHYQMAZPRKUTG-UHFFFAOYSA-N 440.425 5.437 30 20 IKED N#CCCn1cc(CN2CC=C(c3ccccc3C(F)(F)F)CC2)c(-c2ccncc2)n1 435132880 MKWNVMJCDGSJKT-UHFFFAOYSA-N 437.469 5.167 30 20 IKED Cc1ccc(-n2ncc(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)c2C(F)(F)F)cc1 435357494 JXYARJQQEKQPOY-UHFFFAOYSA-N 428.414 5.111 30 20 IKED COc1cc(CS(=O)(=O)[C@@H](C)c2cccc(C)c2)ccc1OCc1cccc(C#N)c1 437233547 QBERVUWZNBMSAZ-IBGZPJMESA-N 435.545 5.130 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)nnc1-c1ccco1 437327947 BAGXLWCLLJARHC-LEWJYISDSA-N 444.560 5.032 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H](C)Oc1ccccc1F 437977959 NUSMJSMDOPXXAL-GOSISDBHSA-N 433.483 5.174 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N(CCC(F)(F)F)CC3CC3)c2)cc1 438621943 KHOJYNDBRVGDIF-UHFFFAOYSA-N 431.458 5.528 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)CCc1nc2cc(Br)ccc2s1 463179303 BEJHQDLYPHEBDA-UHFFFAOYSA-N 433.346 5.345 30 20 IKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nc(C2CCCCC2)no1 464698517 ZRENUMZXIDDIHQ-KRWDZBQOSA-N 446.576 5.772 30 20 IKED C[C@H](Cc1ccc(Br)cc1F)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469325044 INQOGQNNSYZLKZ-OAHLLOKOSA-N 444.348 5.214 30 20 IKED CC(C)(C)CN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470537128 ISKVVHVLDRUAPF-UHFFFAOYSA-N 432.568 5.350 30 20 IKED Cc1[nH]c2ccccc2c1C1=CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 471156604 LSZIORJPCHMMJJ-UHFFFAOYSA-N 430.577 5.016 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 475597683 ARBROFUTHTUYAW-KXBFYZLASA-N 449.498 5.563 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ncoc2-c2ccccc2)cc1F 478723317 XIXWGGZHRMKYDC-UHFFFAOYSA-N 428.423 5.466 30 20 IKED Cc1sc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2C#N)nc1-c1ccc(Cl)cc1 479205000 DNEOJJLAOBBSEG-UONOGXRCSA-N 425.941 5.288 30 20 IKED CC(=O)N1CCCc2cc(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)ccc21 479580422 OYERRZRJRAZGBT-UHFFFAOYSA-N 427.529 5.261 30 20 IKED CCn1c([C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)nc2ccccc21 484987088 YIKBOSZJKLVFLE-SFHVURJKSA-N 440.572 5.711 30 20 IKED N#Cc1ccc(CCC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 487291768 RVYVMEWVPVMXBW-UHFFFAOYSA-N 440.450 5.067 30 20 IKED C=CCC[C@@H](C(=O)Nc1ccc(C)c(NS(=O)(=O)c2ccccc2)c1)c1ccccc1 489459031 BTMVFFUXEHUGLS-HSZRJFAPSA-N 434.561 5.484 30 20 IKED C=CCn1c(SCCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1cccs1 489462857 YPUHCWOFVIPYDG-UHFFFAOYSA-N 439.393 5.620 30 20 IKED CSc1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)ccc1NC(C)=O 501485028 ZFENWZTYGCUEMI-UHFFFAOYSA-N 445.544 5.264 30 20 IKED COCCOc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c(C)c1 502491736 AUVYHGBBKOQFGL-UHFFFAOYSA-N 447.491 5.337 30 20 IKED O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)N[C@H](CC(F)(F)F)c1ccc(F)cc1 504901601 GWSYFDRYHHGILP-QGZVFWFLSA-N 449.370 5.519 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 504934901 KTQPPSBQUFNFBF-PZUNEJSGSA-N 444.966 5.500 30 20 IKED C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(OC2CCCCC2)CC1 508872683 KNKYHJNYUKRLDZ-UHFFFAOYSA-N 432.515 5.051 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OCc4cscn4)c3)n2)cc1 516713645 DVRXOTNGYDFJJM-FQEVSTJZSA-N 442.525 5.207 30 20 IKED N#CCCn1cc(/C=C(/CC(=O)O)c2nc3cc(Cl)ccc3s2)c(-c2ccccc2)n1 516947726 XRDKCECOIUCARB-WJDWOHSUSA-N 448.935 5.742 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCO[C@@H](c4ccccc4Cl)C3)c2)cc1 517903187 DECXLXCDRPLSBO-HSZRJFAPSA-N 433.895 5.609 30 20 IKED COc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 519414321 GTERDZNCXITHLZ-INIZCTEOSA-N 438.578 5.006 30 20 IKED Cc1ccc(-n2nc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c3c2CCCC3)cc1 519515370 FMUHQWCWCKNDER-SFHVURJKSA-N 430.577 5.706 30 20 IKED C=CCOc1ccc(CNC2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1Cl 520204236 XKUOLYWJRBALNJ-UHFFFAOYSA-N 425.882 5.077 30 20 IKED N#C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1ccc(Cl)c(Cl)c1 520271811 KRUBFCOUSISAKW-ZDUSSCGKSA-N 442.780 5.755 30 20 IKED Cc1ccc(NC(=O)CN(C)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 522570672 DPDAQNIXQKBBDJ-UHFFFAOYSA-N 433.895 5.023 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c(OC)c1 523970634 UIJYLMXLQPUWII-DNOBIOAJSA-N 445.563 5.373 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3csc(-c4ccccc4)n3)cc2F)c1 524457671 UIKQCNNGZGKHGZ-UHFFFAOYSA-N 443.503 5.581 30 20 IKED N#C[C@@H](C(=O)c1cccc(OCC(F)(F)F)n1)c1nc(-c2ccc(Cl)cc2)cs1 525327439 OQWWEVOGRLKXAX-ZDUSSCGKSA-N 437.830 5.290 30 20 IKED C[C@@H](N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc(OC(F)F)cc1OC(F)F 537948156 ZSGNOAFHDTWXKO-MEBBXXQBSA-N 441.343 5.292 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1ccccc1F)C1CCCC1 539325936 JWIHQQDJPBQBJO-OSPHWJPCSA-N 425.573 5.537 30 20 IKED N#Cc1ccc(-c2nnc(CN[C@@H](c3ccccc3)c3cc(Cl)ccc3Cl)o2)cc1 542220380 JRBSXFZTRNGPIB-QFIPXVFZSA-N 435.314 5.794 30 20 IKED Cc1ccc([C@@H]2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)cc1 542364336 JGUFFYVXPUDZNO-HSZRJFAPSA-N 425.532 5.662 30 20 IKED C[C@H]1COc2ccccc2CN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 543883489 OHCMJYKCPFNQCL-KRWDZBQOSA-N 431.467 5.091 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)Nc1ccccc1-c1ccccc1 549196473 GTPMFDBNBITQSU-UHFFFAOYSA-N 427.891 5.141 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 549728714 ZHLHEBKEDNXSOW-XXBNENTESA-N 425.536 5.036 30 20 IKED C[C@H](Oc1ccccc1NC(=O)C(=O)N[C@H](CCCC#N)c1ccccc1)c1ccccc1 556623871 IWFJYJJACQLHRD-NZQKXSOJSA-N 441.531 5.316 30 20 IKED Cn1ncc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1-c1ccccc1 558050206 HMXFMYRRZMXLFO-UHFFFAOYSA-N 428.879 5.657 30 20 IKED N#CCCn1ncc(-c2nc(-c3cccc(CN4CCCCC4)c3)no2)c1-c1ccccc1 580505007 YVBBBIDBVCJGFU-UHFFFAOYSA-N 438.535 5.167 30 20 IKED N#Cc1ccc(C(=O)CNC(=O)c2oc3ccccc3c2CSc2ccccc2F)cc1 580665620 GTBAPWRGMJKQJH-UHFFFAOYSA-N 444.487 5.349 30 20 IKED C=CCOc1ccc(CNC2CCN(C(=O)[C@@H](CC)c3ccccc3)CC2)cc1Cl 589647874 KIUKYUYLICZMGX-QFIPXVFZSA-N 426.988 5.179 30 20 IKED Cc1ccc(-c2csc3nc(SCCCC#N)n(C[C@H]4CCCO4)c(=O)c23)cc1 593897767 XHLGHDLYDCXECM-QGZVFWFLSA-N 425.579 5.008 30 20 IKED N#C[C@H](C(=O)c1ncoc1-c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 601618176 GBFSATTWHNYVIF-OAHLLOKOSA-N 440.311 6.262 30 20 IKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N(Cc3ccc(C#N)cc3)CC(C)C)c12 603530754 YYYLXDXFGBKMKW-UHFFFAOYSA-N 443.576 5.175 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C)c(Oc4ccncc4)c3)n2)cc1 604691149 ILJDSWADDOMRIA-NRFANRHFSA-N 441.512 5.805 30 20 IKED CN(Cc1ccc(F)cc1)C(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 608763712 QMFCLBLSLVWSHG-UHFFFAOYSA-N 445.338 5.321 30 20 IKED COc1ccc(CCN(Cc2ccccc2)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 608915214 JCJKCXUDJOTQEJ-UHFFFAOYSA-N 427.548 5.773 30 20 IKED COCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)oc2ccccc12 609062696 FMPVDAFMHIVFMX-UHFFFAOYSA-N 446.890 5.936 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2)c1 609064954 UYPILXXVWKTQDG-UHFFFAOYSA-N 449.466 5.433 30 20 IKED CCN(Cc1ccc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1)C1CC1 609174805 WMLLBLVDJTUXSG-HHHXNRCGSA-N 439.559 5.245 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 609437267 XFDQARIBYXJBIK-QGZVFWFLSA-N 448.592 5.170 30 20 IKED Cc1c(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)oc2ccc(Br)cc12 609462455 MBFVGKQSQBGSJE-HNNXBMFYSA-N 437.215 5.517 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@@H]3OCCc4ccccc43)cc2Cl)c1 609601985 CMVISHKFBVJNIE-DEOSSOPVSA-N 447.922 5.226 30 20 IKED C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](C#N)c1ccccc1Br 609993920 CIHMFQXJGHGUKQ-YVEFUNNKSA-N 425.248 5.028 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)Nc3ccc(NC[C@H]4CCCO4)c(F)c3)cn2)c1 610094051 DYKOWKAKLVIOCI-HXUWFJFHSA-N 447.470 5.120 30 20 IKED C[C@H](CC(=O)N[C@H](C#N)c1ccccc1Br)c1ccccc1C(F)(F)F 610197857 ASHLWLOCKFXBIM-SJKOYZFVSA-N 425.248 5.343 30 20 IKED CCOc1ccc(Br)cc1CN(C(=O)N[C@H](C)c1cccc(C#N)c1)C1CC1 610408268 QTYCCRUVMWVLSE-OAHLLOKOSA-N 442.357 5.155 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(c3cccnc3)CC2)cc1 611260817 AHJATZCFWNPGPH-UHFFFAOYSA-N 426.520 5.138 30 20 IKED N#Cc1cc(NCc2nc(O)c3ccc(C(F)(F)F)cc3n2)ccc1Oc1ccccc1 614479557 SPXVDRRRSWBGGB-UHFFFAOYSA-N 436.393 5.630 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)cc(OC)c1OC 615978463 KHZGCFYCTKOWPH-UHFFFAOYSA-N 436.552 5.089 30 20 IKED O=C(c1cnc(-c2ccccc2F)s1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 619994044 OFWWEQZAVOLKGM-NXEZZACHSA-N 426.357 5.152 30 20 IKED C[C@H](NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2n1C(F)F 670157866 PIQOGXQOJOIFLJ-JTQLQIEISA-N 437.334 6.320 30 20 IKED O=C(NCC(F)(F)c1ccc(Cl)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 672576544 HNLSHIWMHZDOLJ-QWRGUYRKSA-N 438.746 5.204 30 20 IKED Cc1nc(-c2ccccc2)oc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 679367934 BDWYHJZNHVWWDO-AWEZNQCLSA-N 427.407 5.769 30 20 IKED Clc1ccccc1Cn1cc(C=Nn2cnnc2-c2ccccc2)c(-c2ccccc2)n1 725855896 IWBXLMSCNYKMHK-UHFFFAOYSA-N 438.922 5.393 30 20 IKED N#CCSc1ccccc1C(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 728193247 QFRWKHGGZDLUQP-UHFFFAOYSA-N 429.476 6.034 30 20 IKED C[C@@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccc(F)cc1Cl 728668480 VXBGRTPOZDHYGL-CQSZACIVSA-N 438.842 5.327 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)cc1 728766983 RBNXBWKCJCMLBE-DEOSSOPVSA-N 445.563 5.208 30 20 IKED CCc1ccc(-c2nn(-c3ccccc3C)cc2CNCc2ccc(OCC#N)cc2)cc1 729685539 XIQWMNKHXVSUEW-UHFFFAOYSA-N 436.559 5.602 30 20 IKED C#CC[C@H](OC(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1)c1ccccn1 729798470 ODZZEECEJPMLEU-KRWDZBQOSA-N 429.307 5.014 30 20 IKED Cn1c([C@@H](C#N)C(=O)Cc2cccc(OCc3ccccc3Cl)c2)nc2ccccc21 730071205 MZOINEPGMQCAIS-FQEVSTJZSA-N 429.907 5.225 30 20 IKED O=C(C[C@H]1SC(=Nc2ccccc2)N(C2CC2)C1=O)Nc1ccc(SC(F)F)cc1 730488369 LTBJAFJYAYJYMS-QGZVFWFLSA-N 447.532 5.124 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)ccc1F 730688445 XCZRIIMYHDMXND-INIZCTEOSA-N 437.496 5.786 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3nc4cc(Cl)ccc4s3)n2)cc1 730691793 MYXVKLUQCZZUMH-INIZCTEOSA-N 448.960 5.754 30 20 IKED N#Cc1c(Cl)nsc1N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 732045401 JPARLLRLSXZWDV-LJQANCHMSA-N 444.004 5.361 30 20 IKED CC(C)n1nccc1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 732919739 UNYQWYHBVHOJJO-INIZCTEOSA-N 437.931 5.007 30 20 IKED Fc1ccc(-c2nc(C=NNc3cc(C(F)(F)F)nc(-c4ccccn4)n3)cs2)cc1 733081245 RZGOSTHJBDXFKN-UHFFFAOYSA-N 444.417 5.266 30 20 IKED N#C[C@H](NC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(Cl)cc1 733259352 XBQHXXBRCMIHMU-ZDUSSCGKSA-N 440.149 5.965 30 20 IKED N#C[C@@H](C(=O)C[C@H]1CCOc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 735592586 BFNXICGESVTXKR-DYVFJYSZSA-N 443.355 6.250 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCCCC[C@H]2c2ccc(C)o2)ccc1OC 739024780 RYWKWLZIGIVEKJ-UXHICEINSA-N 425.529 5.105 30 20 IKED C=CCn1c(-c2cccc(C)c2)nn(CN(CCC)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1=S 740859923 VZVKRUFQWMQYII-NJYVYQBISA-N 426.630 5.059 30 20 IKED COCCOc1cc2c(cc1/C=C\C(=O)c1ccc(-c3ccccc3OC)cc1)OCO2 741467796 ADHNWNLQIKJGGG-QXMHVHEDSA-N 432.472 5.012 30 20 IKED Cc1cccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)c1NC(=O)c1ccncc1 743751397 KNKWDCBBHPNJSN-UHFFFAOYSA-N 437.524 5.356 30 20 IKED C=CCN(C(=O)Cc1ccn(C(C)C)n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 744352435 HSTNJKPFMHPLAU-UHFFFAOYSA-N 442.588 6.016 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)c2c[nH]cc2-c2ccc(F)cc2)n(C2CCCC2)c1C 745268518 KHIUNQMESOLULX-UHFFFAOYSA-N 448.498 5.021 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1CCC(c2ccccc2)CC1 745502288 XJGCDWULERNJSI-KMFTYDHNSA-N 436.577 5.537 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c1 746251834 NWGYJBUMYQSRCX-AHWVRZQESA-N 444.506 5.005 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ncc(-c3ccc(OC)cc3)o2)cc1 746416376 LNFRCINFDIHAPG-HTAPYJJXSA-N 445.519 5.144 30 20 IKED Cn1ccnc1SCc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 749171803 VPXHDMZQCMJIRF-DEOSSOPVSA-N 438.556 5.620 30 20 IKED Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@@H](CCC#N)c2ccccc2)c1 749220961 DCJFFKBEVHDSPI-IZZNHLLZSA-N 427.548 5.285 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)cc1 754393830 HRXPAAPCCRQOBG-PZJWPPBQSA-N 434.586 5.499 30 20 IKED CCSc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1 755606812 LPVXMEZLXBGAQG-MDWZMJQESA-N 426.538 5.975 30 20 IKED C=C(Cl)COc1ccc([C@H](C)N[C@@H](c2cc(OC)cc(OC)c2)c2nccn2C)cc1 764813929 LKROGNCLKVYGGP-SBUREZEXSA-N 441.959 5.009 30 20 IKED C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 766623041 MVLQHITVDUXECH-YGRLFVJLSA-N 440.124 5.207 30 20 IKED C[C@@H](OC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)c1ccccc1Br 769543891 KOTRTHUGQKOFLR-OAHLLOKOSA-N 439.309 5.136 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H]2CCCOc3c2ccc(Cl)c3Cl)ccc1OC 772983949 BAAQWOKNZXMFRZ-CRAIPNDOSA-N 435.351 5.686 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN(CC(C)C)[C@@H]2CCCc3cccnc32)c1=S 774614672 UUQOMJINQZAEBI-OAQYLSRUSA-N 434.613 5.050 30 20 IKED C[C@H](NC(=O)Nc1cccc(CN2CCOC2=O)c1)c1ccc(-c2cccc(C#N)c2)cc1 782553820 UEKBUAAINCEUNG-SFHVURJKSA-N 440.503 5.060 30 20 IKED CC[C@@H](C)Oc1ccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 783463400 FCNVFNKLSGZTOA-HOYKHHGWSA-N 427.504 5.097 30 20 IKED O=C(O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cnn(CCC(F)(F)F)c1 784053169 ITGWTVPEKAYDMN-LBPRGKRZSA-N 434.258 5.315 30 20 IKED Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)ccc(C(F)(F)F)c1F 785798412 YQMAPJWYSBZCPR-SNVBAGLBSA-N 437.311 5.356 30 20 IKED N#C[C@@H](C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1nccc2ccccc12 792103712 KUJMGVGBNMQPBJ-QHCPKHFHSA-N 445.478 5.652 30 20 IKED O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)c1nc(Br)ccc1F 794969105 GHBMLNIQLYNYSD-NTMALXAHSA-N 449.283 5.127 30 20 IKED CC(=NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1c(Cl)nc2ccccn12 794980541 DEKVHMWNCUACQT-UHFFFAOYSA-N 430.821 5.300 30 20 IKED CCCc1c(NCc2ccc(O[C@H](C)C#N)cc2)cnn1-c1cc(F)c(OC)cc1F 795604734 AWYWEWNVDDWBIE-OAHLLOKOSA-N 426.467 5.015 30 20 IKED CC(C)(C(=O)NCc1ccc(C#N)c(Cl)c1)[C@@H](O)c1ccc(OCc2ccccc2)cc1 801523070 ALUHDRYZQWRFLN-DEOSSOPVSA-N 448.950 5.167 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 802040039 DVKRZCMLKCZREB-HUUCEWRRSA-N 446.372 5.378 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)CCN1c2ccccc2Sc2ccccc21 804464369 LCOSYXCFLASBQJ-UHFFFAOYSA-N 434.561 5.370 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2sc3ccccc3c2Br)c1 810403876 WOYIPSDXQKWEJJ-AWEZNQCLSA-N 429.339 5.275 30 20 IKED Oc1c(Cl)cc(Cl)cc1C=Nn1c(S)nnc1-c1ccc(Cl)cc1Cl 916277219 ZEQLVXVKDOFIRB-UHFFFAOYSA-N 434.135 5.435 30 20 IKED CC(C)(C)c1ccc(/C=C\C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 916846759 DWHIMVBZKNTWTG-GFBZKKKVSA-N 431.561 5.463 30 20 IKED N#C[C@H](C(=O)COc1ccc2cc(Br)ccc2c1)c1ccc2ccccc2n1 916848419 KKHBICPBGJTSMG-FQEVSTJZSA-N 431.289 5.406 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(CSc2ccccc2)cc1 916937366 DEOMZWKWXUHKNV-LJQANCHMSA-N 438.911 5.733 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccccc3Cl)CCC2)cc1 1786366786 SGMSBKDUTOSXFS-UHFFFAOYSA-N 426.944 5.071 30 20 IKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc5cc[nH]c5c4)cc3)CCC2)cc1 1788911922 CSBDKDUTMKTLEI-UHFFFAOYSA-N 448.526 5.030 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(-c4cnccn4)c3)cc2)CCC1 1790083083 KGMKLRAJBJPFLF-LJQANCHMSA-N 440.547 5.104 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4)CCC3)cc2)c1 1792125377 XPDLJQWFRYZUKY-LJQANCHMSA-N 448.526 5.247 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)sc1Cl)C2 1798592211 ABHXXVFPCDMDSL-BTTYYORXSA-N 429.413 5.299 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc(F)cc(Cl)c3)CC2)C1 1804868604 LHSGRBSYSYRDOS-UHFFFAOYSA-N 434.983 5.316 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCC2CCCC2)[C@H]1c1cccnc1 1806205646 YYRKMLFXPZYJEW-ISKFKSNPSA-N 425.617 5.050 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccnc(C(F)F)c2)[nH]n1 1819553113 UJVDTRVKGPKFDE-SFHVURJKSA-N 445.514 5.041 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(Cl)cccc2Cl)n[nH]1 1820435431 XAJXIMMIXUHVFA-GUYCJALGSA-N 435.355 5.235 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(Cl)c2)n[nH]1 1820497440 NIGGNDJUOPGDTD-HXUWFJFHSA-N 426.948 5.137 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCc2ccncc2)CC1 1823750628 COXKSTURPKKXRI-DEOSSOPVSA-N 439.644 5.016 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 1831482754 WJHUNLVDEZLACD-MASZLTEFSA-N 426.645 5.201 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(C(C)C)cc2)CC1 1831599714 YWTBNVFPUZOTGX-QHCPKHFHSA-N 446.582 5.184 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2ccccc2)c1 11113733 IUNNKCTVYHFRME-UHFFFAOYSA-O 443.564 5.957 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](CCC)c2ccccc2)nnc1-c1ccc(F)cc1 21338220 XMIPGLQRMMOBDJ-UTKZUKDTSA-N 438.572 5.408 30 20 IKED C=CCNc1nnc(S[C@@H](C)C(=O)N2c3ccccc3Sc3ccccc32)s1 22346018 BMTRKPGEUFJVPZ-ZDUSSCGKSA-N 426.592 5.446 30 20 IKED Cc1ccc(-n2c(SC[C@@H](C#N)CCC#N)nc3sc4c(c3c2=O)CCCC4)cc1 24087404 ONXAXGSTPWXKRT-MRXNPFEDSA-N 434.590 5.170 30 20 IKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)nnc1C1CC1 36855150 NAKMXQZDJFGWPC-UHFFFAOYSA-N 439.610 5.392 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ncc(-c2ccc(F)cc2)o1 41647647 SUDSTGOXVCOKNU-UHFFFAOYSA-N 436.512 5.438 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(NC(=O)CCCc2cccs2)c1 62905530 ZVSGFYPDKSQWFG-UHFFFAOYSA-N 443.572 5.410 30 20 IKED N#C[C@H](C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1nc(-c2ccncc2)cs1 195662279 YHXXLUQXWVNSQU-HXUWFJFHSA-N 439.500 5.339 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNCc2cn(-c3ccccc3)nc2-c2ccccc2C)c1 237024347 MEUIUNRAAWKDIS-VWLOTQADSA-N 436.559 5.819 30 20 IKED CN(Cc1ccccc1Cl)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 255942036 ZPXPKRYEHNNWEJ-UHFFFAOYSA-N 449.963 5.215 30 20 IKED C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccccc3C)n2Cc2ccco2)c1C 301905375 HASXFDLXZIWJFL-UHFFFAOYSA-N 446.576 5.474 30 20 IKED Cc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1C 303276928 JAZPVBRYWFHKAJ-MRXNPFEDSA-N 436.606 5.472 30 20 IKED COCCN(C(=O)Nc1ccc(C#N)cc1Cl)[C@H](C)c1cccc(C(F)(F)F)c1 426156685 LUGCOKWUXAMXAD-CYBMUJFWSA-N 425.838 5.472 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1cc(Cl)ccc1Cl 427496091 STBZFXBJBPOXBX-OLZOCXBDSA-N 436.364 5.061 30 20 IKED Cc1ccc(-c2csc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)n2)c(C)c1 428332747 UPDQZBRDPLRJHQ-UHFFFAOYSA-N 427.533 5.456 30 20 IKED C=CCN(C(=O)c1cccc(SCC#N)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 429926497 OKAUNMISDZDXGM-UHFFFAOYSA-N 436.518 5.167 30 20 IKED CCCCOc1ccc(NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)c(C)c1 437260419 VPUAZCCUXSIFAA-MRXNPFEDSA-N 425.554 5.003 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 437743000 ARSVFPGLXZAUPY-VQTJNVASSA-N 449.448 5.407 30 20 IKED COc1ccc(O[C@H](C)CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 437961944 LCCLNWBCDIGSIX-LJQANCHMSA-N 445.519 5.043 30 20 IKED CCCc1c(NC(=O)c2cnn(-c3cc(C)ccc3C)c2C)cnn1-c1cccc(C#N)c1 440090718 WACCIMFJZIJIJY-UHFFFAOYSA-N 438.535 5.060 30 20 IKED COc1ccc(CC[C@H]2CCCCN2C(=O)N[C@@H](CCC#N)c2ccccc2)cc1OC 440248336 WKXPQFQWEPAIAQ-PKTZIBPZSA-N 435.568 5.246 30 20 IKED COc1ccc(-c2ncc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)s2)cc1 442683368 QEYASGQKVXJTJB-GOSISDBHSA-N 431.542 5.741 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)N1CC=C(C(F)(F)F)CC1 444029922 ZEXZQVYZSVVXOV-CYBMUJFWSA-N 434.302 5.603 30 20 IKED C=C(C)Cn1c(SCC(=O)N(C)[C@@H](c2ccc(F)cc2)C(C)C)nnc1-c1ccco1 447865880 MXNPZFQJWAPROZ-OAQYLSRUSA-N 442.560 5.201 30 20 IKED CC(C)c1nn(C)c2sc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)cc12 463270540 CXRIXJDQEPMZJW-UHFFFAOYSA-N 443.532 5.134 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)c1 464157761 KGIAHVNJGPQPSP-UHFFFAOYSA-N 445.862 5.823 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CC[C@@H](CSc4ccccc4)C3)cc2)cc1 464322759 CCJVSURHASDFJF-OAQYLSRUSA-N 428.557 5.799 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(OC(C)(C)C)cc2C(F)(F)F)cc1 466603465 ZHLXZDJQUUWPLR-UHFFFAOYSA-N 449.473 5.120 30 20 IKED N#Cc1ccc(CN(C(=O)N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)C2CC2)cc1 468160092 PIIJTDIOMYTXOO-NRFANRHFSA-N 446.551 5.572 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Nc3ccccc3O[C@H]3CCOC3)cc2F)c1 470588557 TXGXREKJXNTDME-FQEVSTJZSA-N 447.466 5.088 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)cc1 474827897 CUSQMWJZCIDASQ-UHFFFAOYSA-N 444.506 5.008 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 475564134 LTRCGQJFGZPMPA-SFHVURJKSA-N 439.522 5.193 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 475579036 SALGLBKALFKCMV-IBGZPJMESA-N 437.584 5.204 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)cc1 476691108 PFEFSQKLOOVROU-QGZVFWFLSA-N 439.275 5.674 30 20 IKED N#Cc1cc(Cl)ccc1CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1 479232296 PPRQMFBRCQRFLK-SFHVURJKSA-N 449.967 5.423 30 20 IKED COc1ccccc1CN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C1CC1 481565609 CKVWZTXWOADRGS-UHFFFAOYSA-N 445.494 5.481 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)NC[C@@H](Cc1ccc(Cl)cc1Cl)C(C)C 482718594 BQZKIPCWDMUWGX-QGZVFWFLSA-N 448.394 5.146 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCc2cn(C(C)C)nc2C1 482925151 WMDVSFTYUMCZQY-HXUWFJFHSA-N 429.524 5.115 30 20 IKED C[C@H](Sc1nc(C(F)(F)F)ccc1C#N)c1nc(O)c2c(-c3ccco3)csc2n1 488749927 FQCRLGRDEKKNSP-VIFPVBQESA-N 448.451 5.796 30 20 IKED N#Cc1ccccc1-c1ccc(CS(=O)(=O)Cc2nc(-c3cccc(Cl)c3)no2)cc1 494736402 OWEAJFHQFKAMTP-UHFFFAOYSA-N 449.919 5.044 30 20 IKED COc1ccc([C@H](NC(=O)c2c(F)cc(C#N)cc2F)c2ccc(C(F)(F)F)cc2)cc1 499344275 CCLSLOMRSGKPKE-OAQYLSRUSA-N 446.375 5.383 30 20 IKED CC(C)c1nc([C@H]2CCCCCN2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)no1 501134848 OJAXXTRJUILLHZ-JOCHJYFZSA-N 445.523 6.006 30 20 IKED CC(C)c1nc([C@@H]2CCCCCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)no1 501364897 RPYREDCWXPKZNK-AEFFLSMTSA-N 427.574 5.736 30 20 IKED Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)c1ccc(COc2ccccc2C#N)o1 504408107 LVNIYUGANDUQGO-UHFFFAOYSA-N 442.475 5.464 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1 505201455 SXQIAFQNIBVZEG-XMMPIXPASA-N 435.980 5.500 30 20 IKED N#C[C@@H](NC(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1cccc(C(F)(F)F)c1 505913460 UGHLXBHMFKWJJL-HXUWFJFHSA-N 429.442 5.219 30 20 IKED C[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)COCc1ccccc1 507530188 IWBFXYAPWCVJHX-FQEVSTJZSA-N 430.573 5.433 30 20 IKED C=CCn1c(SC[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)nnc1-c1cccc(C)c1 508387360 OPCCMALWHYJBEW-UTKZUKDTSA-N 444.000 5.324 30 20 IKED Cc1c(C(=O)Nc2cccc(-c3noc(C(F)(F)F)n3)c2)sc2ccc(C#N)cc12 508830682 XVKNXQZMEOZFFL-UHFFFAOYSA-N 428.395 5.403 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCCc3nc(O)ccc32)cc1Cl 510022340 CJLZDKXAIYULRF-SIKLNZKXSA-N 432.911 5.295 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCSc3c(F)cccc32)cc1 511355202 LSXKIMYRCANJAU-QHCPKHFHSA-N 447.535 5.829 30 20 IKED Cc1nc([C@H](C)N2CCC(Oc3ccc(C#N)cc3F)CC2)oc1-c1ccc(Cl)cc1 512846306 ZAWOWFXMUGRQMR-INIZCTEOSA-N 439.918 5.919 30 20 IKED CC(C)Oc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cs2)cc1 512959244 WSPJZQAOLQGJFY-GOSISDBHSA-N 446.557 5.606 30 20 IKED COc1ccc(C)cc1C1(CNC(=O)c2ccccc2-c2ccccc2C#N)CCOCC1 513146046 AFWBQJJGFGITON-UHFFFAOYSA-N 440.543 5.021 30 20 IKED CC(C)c1cc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c2cnn(C(C)C)c2n1 515697018 KHWVIWITRANHMK-UHFFFAOYSA-N 429.549 5.988 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1 517345687 HFJRLPAMWLGDPH-UHFFFAOYSA-N 438.842 5.557 30 20 IKED Cn1c([C@@H]2CCCN2C(=O)c2cccc(OCc3ccccc3C#N)c2)nc2ccccc21 518128651 ZBFLJLZVIUICRE-VWLOTQADSA-N 436.515 5.001 30 20 IKED C[C@H](NC(=O)NC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 522753192 BOIYUOPNKHIPEK-AQKFKSFVSA-N 444.501 5.020 30 20 IKED COc1cc(C(=O)NC2(C#N)CCCCC2)ccc1OCc1ccc(Br)s1 523670575 NXJWVKWNUQXIPR-UHFFFAOYSA-N 449.370 5.054 30 20 IKED CCOC(=O)Cc1cccc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 524129102 DQLZTQHXOBFSTA-UHFFFAOYSA-N 443.503 5.081 30 20 IKED COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(C#N)cc2F)cc1 524987631 RPYZZDJBSQVSRF-OAHLLOKOSA-N 449.507 5.078 30 20 IKED N#C[C@H](C(=O)c1cnc2ccsc2c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 525283942 YASBEOZZRBJANO-CYBMUJFWSA-N 430.341 6.217 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](c1cccc(Cl)c1)N(C)C 525459160 PNVUYYIUSUJKAY-DEOSSOPVSA-N 433.939 5.341 30 20 IKED CC(=O)CSCC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccc(C)o1)CC2(C)C 530664972 UONDHJPJIBRKHA-VURMDHGXSA-N 440.590 5.560 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCOCc2ccc(Cl)cc2)cc1 532811462 FLTKRRADAAZENE-UHFFFAOYSA-N 449.938 5.323 30 20 IKED O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)N[C@@H](CO)CC(F)(F)F 535303634 PUOIKVSPKZHGOH-LLVKDONJSA-N 440.315 5.072 30 20 IKED Cc1cc(N2CCOCC2)ccc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 536415130 VTQGKGQKMVCDFK-UHFFFAOYSA-N 447.922 5.401 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1 537897477 QAHVXAKCKHMPJG-UWJYYQICSA-N 447.348 5.064 30 20 IKED Cc1nn(C)c(C)c1[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(F)(F)F 540816520 DNOBOFUWWKZBPE-FQEVSTJZSA-N 443.429 5.126 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)c2cc(Cl)ccc2SC2CCCC2)CC1 548774497 GDOHCKVGECURQL-UHFFFAOYSA-N 425.985 5.467 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H](c2cccc(F)c2)C1 552305142 XWKWHTSEEVCBOL-JOCHJYFZSA-N 429.495 5.606 30 20 IKED N#Cc1cc(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)nc2ccccc12 563837776 ZFOMYRYJXTYQGG-UHFFFAOYSA-N 438.434 5.430 30 20 IKED C=CCn1c(SCC(=O)Nc2cccc(F)c2Cl)nnc1-c1ccc(Cl)cc1 564200645 VVOBRAORSSCVDO-UHFFFAOYSA-N 437.327 5.308 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3cc(Cl)ccc3Br)cc2)ccn1 574007181 BVITXJVTEDCIJR-UHFFFAOYSA-N 428.673 5.414 30 20 IKED Cc1oc(NC(=O)[C@@H](C)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)c(C#N)c1C 579057487 SYOJJMJQBXWEQC-OLZOCXBDSA-N 442.972 5.531 30 20 IKED C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 582984803 KEVGJGBEMKRUTH-SFHVURJKSA-N 441.535 5.011 30 20 IKED CC(C)[C@H](NC(=O)Nc1cccc(C#Cc2cccs2)c1)c1nc(-c2cccnc2)no1 591486509 GBJWWEVLBVDIBD-NRFANRHFSA-N 443.532 5.112 30 20 IKED N#Cc1cc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)ccc1OCC(F)(F)F 603660268 CGOKDXIENUALRH-UHFFFAOYSA-N 442.441 5.392 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-c2cccs2)nc1C 603738890 YRGPXSSVWMXZEA-UHFFFAOYSA-N 426.501 5.738 30 20 IKED O=C(NCCOCC(F)(F)F)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F 607214774 YPOUTBNXPBUVST-UHFFFAOYSA-N 444.319 5.060 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 608915765 APSQNYIJHRJYNY-UHFFFAOYSA-N 434.927 5.628 30 20 IKED CC(C)CC(=O)N[C@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1 608960180 KCXXDKYKOUXMPM-VWLOTQADSA-N 427.504 5.193 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2OC)cc1 609046481 FMZFRXXSLJCQKJ-QFIPXVFZSA-N 443.503 5.737 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(-c2ccccc2Cl)on1 609060791 FAHMLHROFYNXHO-UHFFFAOYSA-N 443.890 6.006 30 20 IKED Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 609073785 XIFGJOAQMQCBPZ-UHFFFAOYSA-N 436.515 5.251 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCCOc2ccc(F)cc21 609078750 MKKXGXRATGTLPE-XMMPIXPASA-N 445.494 5.620 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609185857 QYLVJZPOBDDJKJ-UHFFFAOYSA-N 443.981 5.389 30 20 IKED COc1ccc(-c2cc(NC(=O)NCc3ccc(C#N)cc3F)ccc2OC(F)F)cc1 609252484 SQMKRIRSZYLUFR-UHFFFAOYSA-N 441.409 5.296 30 20 IKED CCCN(C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C)c1cc(Cl)ccc1C#N 609286331 UXSZSAXPCUVUOX-UHFFFAOYSA-N 447.926 5.854 30 20 IKED CC(C)c1cc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)c2cnn(C(C)C)c2n1 609287044 ATFZQYAYLVIGFL-SFHVURJKSA-N 430.339 5.437 30 20 IKED CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 609433816 KVYHEXMUQSJOQZ-GOSISDBHSA-N 442.519 5.657 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)NCc3cccc(OCc4ccccn4)c3)c2)cc1 609642530 OVUPQSQGUUPVNA-UHFFFAOYSA-N 449.510 5.041 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(c3ccccn3)CC2)cc1 611094911 FYORHFFMPKFELA-UHFFFAOYSA-N 428.492 5.166 30 20 IKED N#C[C@@H](C(=O)c1cccc(NC(=O)NC2CC2)c1)c1nc(-c2ccc(Cl)cc2)cs1 614470815 PTZRNEDPJVLOKP-SFHVURJKSA-N 436.924 5.237 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2cccc(F)c2)n1)c1nc2cc(C(F)(F)F)ccc2s1 620058244 WQBMTEPMSFNEOM-AWEZNQCLSA-N 430.386 5.130 30 20 IKED O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 669953473 FQEAKGOJPHDXBM-CYBMUJFWSA-N 430.339 5.927 30 20 IKED N#CCCCOc1cccc(/C=C(\Cl)c2nc(O)c3cc(-c4ccccc4)sc3n2)c1 726743249 AQUZUAHGLLLUGU-ZHZULCJRSA-N 447.947 6.483 30 20 IKED N#Cc1ccc(NC(=S)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc1Cl 727283598 BBGBKPNAXGDRNY-QGZVFWFLSA-N 426.756 5.289 30 20 IKED CC(=O)c1cccc(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 728062917 QWNUKABKSGCZRD-GOSISDBHSA-N 427.504 5.087 30 20 IKED N#Cc1ccc(SCC(=O)OCc2csc(-c3ccc(Br)cc3)n2)cc1 728677515 RTDVLHCBJOLXIO-UHFFFAOYSA-N 445.363 5.280 30 20 IKED CC(C)c1ccc(-c2nc(CC(=O)Nc3ccccc3SC[C@@H](C)C#N)cs2)cc1 730995819 USRVWPNOOJCYBH-KRWDZBQOSA-N 435.618 6.366 30 20 IKED CCc1nc([C@@H]2NC(=O)N(Cc3cccs3)C(c3ccc(C)cc3)=C2C(C)=O)cs1 731431090 QVFBIIXKSYVARH-NRFANRHFSA-N 437.590 5.342 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](C)c2ccc(SC(C)C)cc2)ccc1OC 733646843 BYRWMIDYTOLSDP-XLIONFOSSA-N 441.597 5.437 30 20 IKED CCC[C@H](NC(=O)NCc1cccc(O[C@H](C#N)CC)c1)c1cccc(C(F)(F)F)c1 733804467 DYFDSAXIUCNCEG-FPOVZHCZSA-N 433.474 5.727 30 20 IKED CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2cnc(-c3ccc(C)cc3)s2)cc1 734307396 YGRDTSFIUWUDCT-NTCAYCPXSA-N 440.590 5.045 30 20 IKED C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 739155745 URSZWWZNWNCXLN-IAQYHMDHSA-N 426.797 5.024 30 20 IKED CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 741537032 AIBWHNLFNJRWJQ-DEOSSOPVSA-N 425.532 5.370 30 20 IKED CC(=O)N(c1nc(/C=C2\C(=O)c3ccsc3S[C@H]2C)cs1)c1ccc(F)cc1F 742435824 ATDAISJYJQEWRZ-SOOGHKCXSA-N 448.541 5.928 30 20 IKED CN(CCC#N)c1ccc(CN[C@H](c2ccccc2)c2ccc(Br)cc2)cc1 742725401 PSJBKWYWMNLQGI-XMMPIXPASA-N 434.381 5.678 30 20 IKED Cc1cccc(C2(O)CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)c1C 743120357 LWVFJICFHSCHRQ-UHFFFAOYSA-N 441.531 5.483 30 20 IKED COc1ccc(Cl)cc1NCCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 744035109 OWTHPWWGNDBRPV-INIZCTEOSA-N 446.359 5.804 30 20 IKED Cc1nn(C)c(C)c1C[C@H](C)C(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 744036851 JICSFBLXFNMTSE-ZFFZEQGUSA-N 436.625 5.016 30 20 IKED CCOc1c(Br)cc(/C=C\C(=O)c2ccc(-c3ccncc3)cc2)cc1OC 745990280 PYFQNENTZZFFQW-WTKPLQERSA-N 438.321 5.815 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)COc2ccc3cc(Br)ccc3c2)n1 747199149 QKQWEKWMUPYIDN-QGZVFWFLSA-N 429.339 5.437 30 20 IKED Cc1cc(SC(C)(C)C)ccc1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 751251261 FISKWZXDSQTWQK-UHFFFAOYSA-N 430.595 5.215 30 20 IKED Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccc(COc4ccc(C#N)cc4)o3)o2)cc1C 758948738 ZBJWMUXDLZNESV-QGZVFWFLSA-N 443.459 5.315 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)c2)s1 764413150 GWWXUTBOMSVQBZ-UHFFFAOYSA-N 432.505 5.069 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@H]2CCCc2ccccc2)ccc1OC 769108320 HQWFTYNJPHSFNE-GOTSBHOMSA-N 435.568 5.073 30 20 IKED C[C@@H](N[C@@H](c1ccccc1)c1ccc(Br)cc1F)c1ccc(OCC#N)cc1 776160151 MCZDYQZAPHTJMZ-MWTRTKDXSA-N 439.328 5.931 30 20 IKED C=CCn1c(COc2ccccc2)nn(CN2CCC(c3ccsc3)CC2)c1=S 776781283 ADSKEKVFLGXGLK-UHFFFAOYSA-N 426.611 5.078 30 20 IKED Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 779121138 PRXILIULCDJWFI-INIZCTEOSA-N 447.501 5.136 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 780149400 IHZNQASGKKUNBE-INIZCTEOSA-N 427.435 5.691 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 780153933 MTCHNBPABUJGQE-LSDHHAIUSA-N 441.940 5.546 30 20 IKED N#Cc1ccc(CNC(=O)[C@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)nc1 782025001 CSFSJBFWVZXWRE-HXUWFJFHSA-N 428.344 5.410 30 20 IKED C[C@H](NC(=O)Nc1cccc(N2CCOC2=O)c1)c1ccc(-c2cccc(C#N)c2)cc1 782253131 UETRXDDXNJRXFN-KRWDZBQOSA-N 426.476 5.065 30 20 IKED C[C@@H](NC(=O)Nc1cccc(CN2CCOC2=O)c1)c1ccc(-c2cccc(C#N)c2)cc1 782553817 UEKBUAAINCEUNG-GOSISDBHSA-N 440.503 5.060 30 20 IKED COc1ccc(/C=C2\N=C(S[C@@H]3CC[C@H](C#N)C3)N(c3cc(C)cc(C)c3)C2=O)cc1 788096708 NVICSYFXIDUEJS-WDUIMVBTSA-N 431.561 5.481 30 20 IKED Cc1c(Cl)cccc1-n1ccnc1SCC(=O)[C@@H](C#N)c1nccc2ccccc12 792103113 JAFYCKFHOWHCEC-GOSISDBHSA-N 432.936 5.351 30 20 IKED C[C@@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)c1nnc(-c2ccc(Cl)cc2Cl)o1 796037217 TVBBIMOEIFFHBJ-GFCCVEGCSA-N 430.291 5.763 30 20 IKED N#Cc1cc(N[C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)ccc1N1CCC(O)CC1 799722611 LZGQDACHKNWPLL-XLIONFOSSA-N 429.486 5.286 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 804560274 YJSLSZPGLPGPOL-NFAVZRQZSA-N 434.422 5.103 30 20 IKED Cc1cc(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c(C)n1[C@H](C)c1ccccc1 804627089 BRODFCBRMIBSMN-LJQANCHMSA-N 445.538 5.409 30 20 IKED C#C[C@@H](NC(=O)Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(Cl)cc1F 806183151 NSEZGEJKVCMCAR-GOSISDBHSA-N 427.888 5.289 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N[C@H](C)c2ccc(Oc3cccnc3)cc2)cc1 806623402 NMSVRXFMRNTZRZ-NHCUHLMSSA-N 428.536 5.168 30 20 IKED CC(=NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(N2CCNC2=O)cc1 814948989 OJZNFSRTGRDQQC-UHFFFAOYSA-N 430.352 5.090 30 20 IKED C=CCn1c(S/C=C\c2ccc([N+](=O)[O-])o2)nnc1-c1ccc(Br)cc1 825255756 OKXVLNITAFLYCL-LUAWRHEFSA-N 433.287 5.158 30 20 IKED CN(C1CCCCC1)S(=O)(=O)c1ccc(NCc2ccc(C(C)(C)C#N)cc2)cc1 863990258 PWTJBMJSNMGUHX-UHFFFAOYSA-N 425.598 5.053 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1 915087647 WKUDTJXMMCSEKN-LXYVVVQHSA-N 449.392 6.014 30 20 IKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915350161 KETRHXPPRNAYHS-LAUBAEHRSA-N 426.545 6.177 30 20 IKED COc1ccccc1N=C1SCCN1C(=O)c1cc(C2CC2)nc2onc(C(C)C)c12 915808119 SUZIUDGXRUWRSE-UHFFFAOYSA-N 436.537 5.109 30 20 IKED Cc1csc(SCc2c(C(=O)Nc3cccc(OCC#N)c3)oc3ccccc23)n1 916409753 MSTUZVNYHLKTGT-UHFFFAOYSA-N 435.530 5.645 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3sc4ccccc4c3s2)cc1OC 916934848 ZPPBVIIKGZOVIW-AWEZNQCLSA-N 436.514 5.094 30 20 IKED COc1ccc(C(=O)/C=C\c2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)cc1OC 917032365 STCBTXMFGIQWBT-WDZFZDKYSA-N 449.459 5.096 30 20 IKED N#C[C@H](C(=O)CCCc1nc(-c2ccc(F)cc2)no1)c1nc2cc(Cl)ccc2s1 917046457 CXRVUVGVJJPYIW-OAHLLOKOSA-N 440.887 5.338 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(OCC2CC2)cc1 920108881 KVENEFABYDKIJU-JOCHJYFZSA-N 426.472 5.229 30 20 IKED Cc1oc(-c2cccs2)nc1CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920807067 XEJXNEFCMWEBEK-LBPRGKRZSA-N 441.484 5.532 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 921010043 DWRKVCFPZZLAAO-UHFFFAOYSA-N 443.503 5.628 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)ccc4OCC)CCC3)cc2)C1 1785810514 XLCITAPSMXPRSB-UHFFFAOYSA-N 438.955 5.453 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cnc(-c4ccccc4)s3)cc2)CCC1 1789880701 SAQDXBWONZMECT-UHFFFAOYSA-N 443.572 5.361 30 20 IKED CC(C)[C@@H](C(=O)Nc1ccc(C2(NC(=O)CCC#N)CCC2)cc1)c1ccc(Cl)cc1 1791192162 PNZLNXHTPPAIBB-HSZRJFAPSA-N 437.971 5.517 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)Cc3cccc4ncccc34)CCC2)cc1 1791295954 GXBMUYSHEFGRFN-UHFFFAOYSA-N 449.501 5.123 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cccc(Cl)c3OC)CC2)C1 1804868921 YYZOGULMKYVILI-UHFFFAOYSA-N 447.019 5.186 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C)cc2C)[C@@H]1c1cccnc1 1811783124 GWTDTNHARFUAQP-UPVQGACJSA-N 433.596 5.010 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)c2ccc(Cl)cc2)n[nH]1 1814659621 FLPNDCGYFPNAAN-UTKZUKDTSA-N 440.975 5.053 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2csc(-c3ccccc3)n2)[nH]n1 1821920866 PCQVRSVFLMVCLO-OXJNMPFZSA-N 449.580 5.051 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)CC1 1830189297 SKIGTICTVWGMTR-VWLOTQADSA-N 449.639 5.323 30 20 IKED N#Cc1ccc(OCCSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1 9966219 GBXYUIPMICQESA-UHFFFAOYSA-N 433.924 5.025 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)NC(C)(C)C)nc2scc(-c3ccc(C)cc3)c2c1=O 11019431 CLIARCIQBRPVNC-HNNXBMFYSA-N 441.622 5.015 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1ccccc1C(=O)c1ccc(C)cc1 22664367 PGWSSEPMJJKPRK-LJQANCHMSA-N 447.556 5.048 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc3c(c2)CCCC3)s1 22732193 BDAFTBMESLNYFX-UHFFFAOYSA-O 439.601 5.721 30 20 IKED CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)CCc2ccc(C#N)cc2)c1 23193799 ZFRWTDICYPESIW-HXUWFJFHSA-N 425.532 5.239 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccc(OC)cc1 23998089 YGVDJSGIPHDXRN-HNNXBMFYSA-N 442.972 5.221 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccc(OC)cc1 23998090 YGVDJSGIPHDXRN-OAHLLOKOSA-N 442.972 5.221 30 20 IKED Cc1cccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c1C 26047380 SYTGSESVVYVEKE-LJQANCHMSA-N 444.585 5.581 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2Cl)C(C)C)nnc1-c1ccoc1C 32324882 AFSAXXHSUQONCZ-SFHVURJKSA-N 430.961 5.441 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(Br)ccc1F 33195750 YZYMCGRLYLHLKJ-HTQZYQBOSA-N 436.165 5.228 30 20 IKED C=CCN(CCc1ccccc1)C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 62410221 JBMRDKVPCQLHIN-UHFFFAOYSA-N 447.966 5.879 30 20 IKED Cc1cc(OCCCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)ccc1Cl 71891488 QEJUQFYYGCDJET-UHFFFAOYSA-N 435.911 5.814 30 20 IKED CC[C@H](C#N)Oc1cc(CNCc2cn(-c3ccccc3)nc2C(C)(C)C)ccc1OC 236897049 YDASUBFHILJWOV-JOCHJYFZSA-N 432.568 5.149 30 20 IKED N#Cc1ccccc1CSCCNC(=O)c1ccccc1Sc1ccccc1C#N 302542039 STNJLZSYKPUJHA-UHFFFAOYSA-N 429.570 5.244 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]1c1nc2ccccc2s1 303351555 FFPJIFGTPPRMPR-APWZRJJASA-N 436.606 5.466 30 20 IKED N#Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)c(Cl)c1 430363361 GYOUZYLGUXUSKI-CQSZACIVSA-N 436.726 5.009 30 20 IKED N#CCC[C@@H](c1ccccc1)N1C(=O)[C@@H](c2ccc(Cl)cc2Cl)N(C2CC2)C1=O 432395953 BPOXGULQRIUUNK-VQTJNVASSA-N 428.319 5.506 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)Cc1cn(CCC#N)nc1-c1ccncc1 435128663 IZOCOMHKNOUBNO-LJQANCHMSA-N 442.592 5.484 30 20 IKED C=CCn1c(S[C@@H](Cc2ccc(Cl)cc2F)C(C)=O)nnc1-c1ccccc1OC 436117365 IBEPNLXBZLZHBI-FQEVSTJZSA-N 445.947 5.225 30 20 IKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 439316575 LNRJLQSQPSAJMK-MRXNPFEDSA-N 433.895 5.237 30 20 IKED CCn1ncc(NC(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1C(F)(F)F 439905872 UYLNRUBFSUBXGU-LLVKDONJSA-N 448.289 5.366 30 20 IKED N#CCC[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccccc1 440258506 UISQSEGEAPMISW-RUZDIDTESA-N 426.495 5.454 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1cccc(N2CCCC2)c1)c1ccc(C(F)(F)F)cc1 442063835 WRXLUDKPAABCEZ-OAQYLSRUSA-N 445.485 5.068 30 20 IKED CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cn(CCCC#N)c2ccccc12 443989969 PPAPKDNIFSAGCL-UHFFFAOYSA-N 428.414 5.175 30 20 IKED N#Cc1ccc(CSCC(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)cc1 460343827 RZXDLAQIBFAGQU-UHFFFAOYSA-N 431.948 5.550 30 20 IKED Cc1cc(Br)c(S(=O)(=O)Nc2ccccc2S[C@H](C)CC#N)s1 460831737 TXYZGRSAYKTHRF-SNVBAGLBSA-N 431.402 5.014 30 20 IKED CCc1ccccc1N(C(C)=O)c1nc(CSc2ccc(C#N)cc2Cl)cs1 465387597 IRHUUORKCYSRSO-UHFFFAOYSA-N 427.982 6.207 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H]2CCCO[C@H]2c2ccc(C)cc2)cc1 466952490 GCKAZINWFAWHBQ-NOZRDPDXSA-N 447.579 5.099 30 20 IKED Cc1ccc(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)cc1NC(=O)c1ccccc1F 470198896 VWVGIFYOIKWUIR-UHFFFAOYSA-N 435.543 5.615 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)ccc21 470771504 GMNRNUPNSGGDQZ-UHFFFAOYSA-N 435.955 5.373 30 20 IKED Cc1cc(C)c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c(OC2CCC2)n1 470802441 MHDGFNDZNYOXIG-UHFFFAOYSA-N 428.492 5.249 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)cc1Cl 471204339 NNZSPMXTFJVBGZ-VQIMIIECSA-N 435.915 5.257 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](OCc2ccccc2F)C1 471283176 QKKPNIIDXVLTMD-MJGOQNOKSA-N 427.545 5.291 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 475567109 BOTAYFQAGNUPIX-FQEVSTJZSA-N 448.542 6.139 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 475576309 WBCDOLXYBPKILS-FNZWTVRRSA-N 436.596 5.985 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(F)c(Br)cc1Cl 475774030 RJRAIHNBBUBUDE-JTQLQIEISA-N 427.726 5.888 30 20 IKED CC[C@H](C)Oc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 476180374 XZZNWYGXIBTHBC-INIZCTEOSA-N 447.466 5.244 30 20 IKED C=CCN(CC1CCCCC1)C(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccn1 482791386 ICZDPZUKHDPSDF-UHFFFAOYSA-N 429.568 5.210 30 20 IKED COc1ccccc1-c1csc(C2CCN(C(=O)C3(c4cccc(C#N)c4)CC3)CC2)n1 483048068 MMHOYVGYPBLMAV-UHFFFAOYSA-N 443.572 5.128 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)c1cnc2ccccc2n1 483203301 VGTQSMOSDHZUIN-CQSZACIVSA-N 435.270 5.614 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](C)Oc1ccccc1Br 483625777 NMSFBEJMYIMMER-LSDHHAIUSA-N 448.386 5.290 30 20 IKED COc1ccc(Cl)c(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 487385869 FJEWIQPGUYIJSP-SFHVURJKSA-N 447.343 5.458 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1C[C@H]1c1cc2c(cc1OCC)C[C@H](C)O2 499706840 MPIPHANSTNHKPT-UCLAIMLFSA-N 431.985 5.442 30 20 IKED C=CCN(C(=O)c1cccc(OCc2cccc(C)c2)c1)c1nc(C(=O)OCC)cs1 501958898 ZJVPLUDDCGNGIX-UHFFFAOYSA-N 436.533 5.040 30 20 IKED C=CCn1c(SCC(=O)N(c2ccc(F)cc2)C(C)C)nnc1-c1ccc(Cl)cc1 505070110 IEHFCBBQVHHYCZ-UHFFFAOYSA-N 444.963 5.457 30 20 IKED O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1ccnc(SCC(F)(F)F)c1 505556180 WZXSBRRHUQXHIP-UHFFFAOYSA-N 428.329 5.069 30 20 IKED CCN(C(=O)N[C@@H](C)c1ccc(C#N)cc1)[C@@H]1CCSc2ccc(Br)cc21 507332608 YMVNGDSKTWGLMH-IFXJQAMLSA-N 444.398 5.650 30 20 IKED Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 508239766 FVHKXYHFTWTRMV-UHFFFAOYSA-N 447.438 5.606 30 20 IKED COc1ccccc1CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)C1CC1 508274411 MYZNGXAHFHIZKC-UHFFFAOYSA-N 443.503 5.564 30 20 IKED C=CCN(C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1nc2c(s1)CCCC2 508770227 SVEVIKQQRDHFOT-UHFFFAOYSA-N 443.657 5.186 30 20 IKED COc1ccc(C(C)=O)cc1CC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N 509956257 YXGUQAMBVLPQMF-UHFFFAOYSA-N 432.907 5.199 30 20 IKED C=CCn1c(S[C@H](C)c2ccc(OC(F)F)cc2)nnc1[C@H]1COc2ccccc2O1 513240837 DXYJRHCORYFBFV-AUUYWEPGSA-N 445.491 5.431 30 20 IKED C[C@@H](SCC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1nc2ccccc2[nH]1 515215178 BSIAUCOICVBOOC-QGZVFWFLSA-N 442.544 5.446 30 20 IKED C=CCN(C(=O)Cc1ccc(-n2cccc2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 516462386 SPXLBJJOOOGIBT-UHFFFAOYSA-N 444.516 5.271 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc2c(c1)CCC(=O)N2 518484853 HOAYQIYUEHJGMJ-INIZCTEOSA-N 426.476 5.118 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1nc(-c2ccccc2)cs1 518894761 XVNFUASFSVOVMY-MRXNPFEDSA-N 426.501 5.360 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc1 520262783 SIPBHAUJAZJFDT-DEOSSOPVSA-N 438.487 5.117 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N(Cc3ccc(O)cc3)Cc3ccco3)c2)c1 523853447 NMTHPSYJPRWCQL-UHFFFAOYSA-N 438.483 5.278 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 524200693 UTPATCIYBHSHRH-QGZVFWFLSA-N 433.487 5.088 30 20 IKED Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c2cnn(C(C)C)c2n1 524391045 RXKLSCXMTLHREM-UHFFFAOYSA-N 439.519 5.332 30 20 IKED C[C@@H]1CCCCN1Cc1ccc(CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 524416820 YTYDYQOARCKONN-HXUWFJFHSA-N 443.547 5.035 30 20 IKED CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 524502611 RWLIGAJBYKTAJW-UHFFFAOYSA-N 429.476 5.096 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 530789616 HCOJEGOTIHQYOQ-UHFFFAOYSA-N 442.294 5.139 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[C@@H]2Cn2cnc3ccccc32)cc1 533748759 WCAAGBKPBFUIAK-LJQANCHMSA-N 440.478 5.144 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CC(c3nc4ccccc4s3)C2)cc1Cl 535599960 TZYCPKRJDPLERO-UHFFFAOYSA-N 445.931 5.853 30 20 IKED N#CCCn1cc(CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c(-c2ccccc2)n1 538762538 WIJZZWFKADQBNY-HXUWFJFHSA-N 431.609 5.179 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 539151687 QTNOKRMTULVQDM-YHBQJITHSA-N 433.936 5.525 30 20 IKED O=C(CCCC(F)(F)F)Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1 539939182 GPWPXEHKBOXDGF-UHFFFAOYSA-N 446.344 5.684 30 20 IKED C[C@@H](NC(=O)Nc1ccccc1O[C@@H]1CCOC1)c1ccc(-c2cccc(C#N)c2)cc1 541096739 FJXGTRCIIHJHKS-WZONZLPQSA-N 427.504 5.276 30 20 IKED Cc1cc(N2CCCC2)ccc1NC(=O)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542013120 FIKOOUMNECLZSY-NRFANRHFSA-N 438.575 5.423 30 20 IKED CC[C@@H](C)n1ncc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C1CC1 542030078 JOAXAYDTDMVHNW-MSOLQXFVSA-N 427.552 6.153 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)o1 542203303 HZCCRZBPZZZFNO-LJQANCHMSA-N 436.336 5.042 30 20 IKED C=CCN(C(=O)C[C@H](C)c1ccccc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 549339209 LKUIKWZTUVPOMN-HNNXBMFYSA-N 425.485 5.570 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(-c2ccccn2)cc1)c1ccc(-c2cccc(C#N)c2)cc1 555017245 TVAXHBLLKVRNGH-LJQANCHMSA-N 446.510 5.103 30 20 IKED CN(Cc1ccccc1)C1CCC(Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 556243396 WRYRIRMORQWZSE-UHFFFAOYSA-N 430.596 5.125 30 20 IKED Cn1c(Cc2cccs2)nc2cc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)ccc21 561978371 KLLKSCFCLJHBPF-MRXNPFEDSA-N 434.590 5.470 30 20 IKED C[C@@H](Cc1cncc2ccccc12)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 574311480 VEZQGIYGAYJUDE-FQEVSTJZSA-N 435.527 5.697 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 582629504 NPCIQHOJFMBRFL-CGTJXYLNSA-N 441.557 5.074 30 20 IKED CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)o2)cc1 590249294 FWPDCBLBEKWHIF-UHFFFAOYSA-N 436.467 5.852 30 20 IKED CN(C(=O)c1ccco1)c1ccccc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 595127422 PGNRDMDJCZTVAF-HNNXBMFYSA-N 435.892 5.309 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)N[C@H](C#N)c3ccccc3Br)c(C)c2c1 603471208 PJFLQMHQMVHUNM-LJQANCHMSA-N 439.309 5.020 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc(-n3cccn3)cc2)cc1Cl 603759191 XJNUYBGWDYXRLW-HSZRJFAPSA-N 426.907 5.362 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(CN4CCCC4=O)cc3)cc2Cl)cc1 604027259 RPSIRQQOYHOGKK-UHFFFAOYSA-N 445.906 5.379 30 20 IKED C[C@H](C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F 607789273 BINVNBUDTFSXTK-DCAQKATOSA-N 435.330 5.835 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2csc(-c3ccccc3Cl)n2)cc1 608938223 WPPBZOCUVIKCGR-UHFFFAOYSA-N 435.858 5.540 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCO[C@@H](c3ccccc3)C2)cc1Cl 609253463 MRIHJNWIZNNGGF-ILBGXUMGSA-N 445.950 5.991 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(Br)cc1 609370899 HSTKUSAKXCGIEL-AWEZNQCLSA-N 435.412 5.573 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)cc1 610097402 GFGARJSVBSCVSW-RUZDIDTESA-N 445.494 5.099 30 20 IKED COc1ccc(SCCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC 610116832 RUDICGZUSIHJES-UHFFFAOYSA-N 434.517 5.489 30 20 IKED COc1ccccc1-c1ccc([C@H](C)NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)cc1 610188981 FICGQNWXLPAAHV-DFBJGRDBSA-N 425.532 5.080 30 20 IKED CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccnn2-c2ccc(C#N)cc2)c1 610228688 REEJIPDGBQMSMH-UHFFFAOYSA-N 435.915 5.024 30 20 IKED C[C@H](NC(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)no1)c1cccc(C#N)c1 610357509 NZTHZBGKSRLWHM-SFHVURJKSA-N 434.515 5.468 30 20 IKED COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1Br 613319023 MRAFLGCAGVKFCE-AWEZNQCLSA-N 447.741 5.725 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(C(=O)N(CC)CC)c(Cl)c1 615495484 SMPLITTUMODAHS-UHFFFAOYSA-N 429.948 5.051 30 20 IKED CCc1ccc(-c2nc(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)cs2)cc1 641887309 NRTQYDYCYMXSKZ-UHFFFAOYSA-N 428.479 5.102 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)nc2ccccc21 648050550 OFGSFYYNIHKBIG-MRXNPFEDSA-N 426.611 5.525 30 20 IKED O=C(Nc1cc(F)ccc1F)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 673710995 VIELJIHVOWDCKY-UHFFFAOYSA-N 435.274 5.440 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)cc1 725885243 UWRBNFVSHJOXMG-FQEVSTJZSA-N 435.314 5.478 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)CCSc1ccc(Br)cc1 726756017 UASHRVGHAZVSBA-UHFFFAOYSA-N 440.366 5.067 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccccc3OC(F)(F)F)n2)cc1 727631637 HGNXONKAASZYHB-QGZVFWFLSA-N 441.434 5.389 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCc1cccc(OC2CCCC2)c1 727954027 SIUNRJCTWNPOPZ-XMMPIXPASA-N 432.564 5.413 30 20 IKED N#C[C@H](NC(=O)c1ccc(C2SCCS2)cc1)c1ccc(OCc2ccccc2)cc1 729370014 PICMJHNTAFSODR-QHCPKHFHSA-N 446.597 5.739 30 20 IKED N#C[C@@H](C(=O)CCCOc1ccccc1Br)c1nc2cc(F)ccc2s1 730420411 DLAOLFGEFUSPHM-ZDUSSCGKSA-N 433.302 5.233 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 730990402 WFRQPVPDIVGJAZ-OJYSUCSVSA-N 433.415 5.611 30 20 IKED COc1cc(C)c(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccnc2)cc1OC 731319763 PZZATLKOBOYOQP-VAWYXSNFSA-N 425.488 5.156 30 20 IKED CCc1cccc2c(CC(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c[nH]c12 731767789 KQRLVDLECKGCNH-INIZCTEOSA-N 427.451 5.778 30 20 IKED CCC(=O)N1CCCC[C@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 733680264 XYPMUIQEVGNFOT-YOEHRIQHSA-N 436.364 5.084 30 20 IKED Cc1noc(COc2ccc(OC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)cc2)n1 734399898 XRFGCDKYEFFWKA-UHFFFAOYSA-N 441.443 5.035 30 20 IKED CC(C)OC(=O)NCc1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1 735023472 HCYDJAICFBIVQG-UHFFFAOYSA-N 443.503 5.024 30 20 IKED COc1cccc([C@H](C)C(=O)OCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)c1 735134783 LABAZXXMZBCASA-SFHVURJKSA-N 431.488 5.001 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=S)Nc2ccc(OC(F)F)c(Cl)c2)cc1 735625582 OKJSDYJTJFDTJR-SFHVURJKSA-N 443.906 6.406 30 20 IKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cccc(Oc2nccs2)c1 737323954 YORRFHBIUYNIOO-MRXNPFEDSA-N 432.288 5.203 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1ccc2ccccc2n1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 744015450 RNZVKLXYFXGCEJ-KPDCDPCYSA-N 429.520 5.313 30 20 IKED CC1=C(C(=O)Nc2ccccc2C(C)C)[C@@H](c2cc(C#N)cs2)NC(=S)N1C1CC1 747960109 OJRFBEXUARIKAA-OAQYLSRUSA-N 436.606 5.049 30 20 IKED COc1ccc(/C=C\C(=O)c2cnn(-c3ccccn3)c2C)cc1OCc1ccccc1 748442969 ZZPFXDNFLQFQNP-QBFSEMIESA-N 425.488 5.059 30 20 IKED Cc1nn(Cc2ccccc2)c(C)c1/C=C\C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 749004189 AVGLTBIHTRGFCW-MSUUIHNZSA-N 448.588 5.161 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccc(Br)cc3)n2)cc1 749029123 NHMHUCRISPDLQP-GOSISDBHSA-N 436.334 5.253 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1 750990095 LTRWXARKXSSRNC-DNVJHFABSA-N 431.561 5.524 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccn3Cc3ccncc3)cc2Cl)cc1 751357758 JCEXFYXHDSKYEB-UHFFFAOYSA-N 428.879 5.501 30 20 IKED N#C[C@H](C(=O)CCSc1ccnc2cc(Cl)ccc12)C(=O)Nc1ccccc1Cl 751827037 ONMMYGUUVCQQPV-OAHLLOKOSA-N 444.343 5.371 30 20 IKED O=C(/C(=C\c1cnc(-c2ccncc2)s1)c1nc2ccccc2s1)c1ccccc1 753135439 QKDYCHZITFYTSO-XMHGGMMESA-N 425.538 6.238 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)Nc1ccccc1SC[C@H](C)C#N 756480698 TZZAASLXRKUNLZ-ZIFCJYIRSA-N 446.617 5.238 30 20 IKED CN1C/C(=C/c2ccc(Cl)nc2Cl)C(=O)/C(=C/c2ccc(Cl)nc2Cl)C1 761473920 JIWPUEVOWCGBCN-VOFKWTQNSA-N 429.134 5.072 30 20 IKED N#C[C@@H](C(=O)CSCC(F)(F)F)c1nc(-c2ccc(Cl)cc2Cl)cs1 762031118 SICIBRMWYUEFQP-JTQLQIEISA-N 425.284 5.589 30 20 IKED CC(C)c1ccc(C[C@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 766606263 VROPQWUOKAEFBA-RXFWQSSRSA-N 439.559 5.151 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)o1 767131935 PUXRDZZRCYFKET-SFHVURJKSA-N 440.421 5.379 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(C(F)(F)F)ccc2Br)c1 770291445 WATFJALHPRSTRK-AWEZNQCLSA-N 441.247 5.079 30 20 IKED N#Cc1ccc(F)c(CN[C@H]2CCCc3nc(-c4ccccc4Br)sc32)c1 773030793 UIXVGTFPQDZFKK-SFHVURJKSA-N 442.357 5.751 30 20 IKED Cc1nc(NC(=O)c2ccccc2SCC#N)sc1Cc1ccc(Cl)cc1F 773516386 OKKSYZUYWLARLQ-UHFFFAOYSA-N 431.945 5.703 30 20 IKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)csc1Br 773978961 WUDDONHTQDCPLH-LLVKDONJSA-N 432.126 5.087 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 780152545 FGKGHSLIPKZLAP-QGZVFWFLSA-N 428.517 5.203 30 20 IKED COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)Nc2ccccc2O[C@H](C)C#N)cc1 780677566 KZMZISBQAHGSGK-LJQANCHMSA-N 445.519 5.229 30 20 IKED C=CC[C@H](NC(=O)c1cc(I)c(Cl)cc1Cl)c1ccncc1 783561231 OIMMOGKFCMCAAD-HNNXBMFYSA-N 447.103 5.040 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)Cc1c[nH]c2ccc(Cl)cc12)c1ccc(Cl)cc1Cl 787050029 NSKZZFHHIUIRJV-GTNSWQLSSA-N 448.737 5.257 30 20 IKED N#C[C@H](C(=O)[C@@H](Sc1ccccc1Cl)c1ccccc1)c1cnc2ccccc2n1 792110569 OLHIUZCTAUMFAB-XDHUDOTRSA-N 429.932 5.993 30 20 IKED CSc1nc(C2CC2)cc(C(=O)O[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)c1C#N 792734721 SQPNHWIPEFARSU-NSHDSACASA-N 440.912 5.174 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 793105659 FCKUNYHWMRGXDP-UHFFFAOYSA-N 448.548 5.513 30 20 IKED COC(=O)c1csc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)c1 794723285 DBXZRCDMGLXJTI-YVMONPNESA-N 446.937 5.225 30 20 IKED OC1(c2cccc(F)c2)CCC(=NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)CC1 794979861 WTFQCINXNMESSY-UHFFFAOYSA-N 444.432 5.531 30 20 IKED CN(C(=O)COC(=O)C[C@@H](CC#N)c1ccccc1)[C@H](c1ccccc1)c1ccc(F)cc1 795982992 OKIRDPQWJWLTME-YIXXDRMTSA-N 444.506 5.004 30 20 IKED N#CC[C@H](CC(=O)O[C@@H](c1ccc(Br)cc1)C(F)(F)F)c1ccccc1 796696266 DVTGFSXAZSIMFY-QAPCUYQASA-N 426.232 5.683 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)C2(c3ccc(Br)cc3)CCOCC2)s1 797568211 GLCXWBLUCLEBCW-MRXNPFEDSA-N 447.398 5.128 30 20 IKED Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2OCC#N)ccc1Br 797634787 JDMDGIHVEMEWMP-SFHVURJKSA-N 432.293 5.168 30 20 IKED N#Cc1cccc(-c2nnc(CNc3ccc(Cl)cc3C(=O)c3ccc(F)cc3)o2)c1 799969259 MCJUKMJAHABAKX-UHFFFAOYSA-N 432.842 5.244 30 20 IKED Cc1ccccc1[C@@H](O)C1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 804515499 CXUYLCQVWYMGLT-MHZLTWQESA-N 440.543 5.032 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 807357662 HDAPPRHEDLOVKI-UHFFFAOYSA-N 444.539 5.423 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(C(F)(F)F)cc(Cl)n1 810094041 RPIYFJPTBRFWKU-RNFRBKRXSA-N 442.709 5.393 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCN(c4ccccc4Cl)C3)n2)cc1 810549174 INYKFMAZKNHTRT-SJLPKXTDSA-N 437.952 5.175 30 20 IKED N#Cc1ccc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)c(C(F)(F)F)c1 811632247 HMBWUIQWVBKYTM-UHFFFAOYSA-N 437.450 5.083 30 20 IKED CCN(c1ccc(NC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1)C(C)C 812454997 UAHXISQZNQRKIB-OAQYLSRUSA-N 429.549 5.162 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc2c(c1)-c1ccccc1C2 916906524 CWSMBTSEKPVXLB-VWLOTQADSA-N 444.490 6.011 30 20 IKED N#C[C@H](C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1ccc(F)c(Cl)c1 916936503 MZXXBVBYUJQRLP-WVCAGCIPSA-N 445.199 5.512 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)n(Cc3ccccn3)c2C)cc1 916954647 JRBSUUDSJRGGAN-BXKMTCNYSA-N 428.536 5.023 30 20 IKED CC[C@H](C)c1ccccc1OCC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042809 GPADHIWMURTNHY-XJKSGUPXSA-N 432.467 6.084 30 20 IKED Cc1ccc([C@@](O)(CC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C(F)(F)F)o1 919825911 ZOJJSQWCHHECIU-NRFANRHFSA-N 430.382 5.031 30 20 IKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2c(C)cccc2C)s1 920170394 KQEBPZGLWPUZHP-QFBILLFUSA-N 441.622 5.035 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN(C2CC2)[C@@H](C)c2ccc3ccccc3c2)c1=S 920304801 AWTDGUAXVJMGRC-IBGZPJMESA-N 441.604 5.998 30 20 IKED N#C[C@@H](C(=O)/C=C/c1ccc(Br)o1)c1nc(-c2c(F)cccc2F)cs1 920804030 ISGYXCDQPMGFGR-MALLOTDXSA-N 435.249 5.333 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3nccc4[nH]ccc34)CCC2)cc1 1785842113 MTYWICWSCOSAMT-UHFFFAOYSA-N 430.552 5.303 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5cc[nH]c5c4)cc3)CCC2)cc1 1788914050 WTMWUGPLSDNUFF-UHFFFAOYSA-N 448.526 5.295 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4)cc3)CCC2)c1 1790258128 IHHARJHIVORAHI-LJQANCHMSA-N 448.526 5.247 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cnc4c(F)c(F)ccc4c3)cc2)CCC1 1790965418 FCHPYLQIQOMTOU-UHFFFAOYSA-N 447.485 5.064 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccnc(C(F)(F)F)c3)CCC2)cc1 1791243671 ZQBLWJXOBFFVNT-OAHLLOKOSA-N 431.458 5.060 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@H]4c4ccccc4)cc3)CCC2)c1 1791532916 JCSDXABJFLMVBH-DQEYMECFSA-N 435.527 5.110 30 20 IKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)C2 1793055079 TZPJJOCGUULRRF-WKCHPHFGSA-N 449.422 5.333 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)CCCCC)[C@H]1c1cccnc1 1802500856 DDEGNKJQJOSLNU-PMVMPFDFSA-N 427.633 5.296 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C)cc2OC)[nH]n1 1814445365 KEFLMVCJNLCJEC-FQEVSTJZSA-N 438.572 5.025 30 20 IKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/C3CCCCC3)n[nH]2)c1 1820906209 ABXCHDDKSNXLCQ-YSESTWPTSA-N 445.567 5.032 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](c3ccccc3)[C@@H](C)CC)CC2)C1 1823700729 HROCHCRSIJBMKF-BYXVTNLJSA-N 436.640 5.402 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccsc2)CC1 1829065809 CWNZOQPACFHSSB-UVIRAJKCSA-N 428.642 5.373 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(OC)c2)CC1 1829068712 MGMBOXFBSMTECC-DEOSSOPVSA-N 440.628 5.229 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2Cl)nnc1-c1cccc(C)c1 10241054 GDRUSPROGSNHBJ-MRXNPFEDSA-N 426.973 5.062 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccccc2CC)cc1 11127813 MCPATRZMXYLQRX-UHFFFAOYSA-O 439.604 6.303 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)NCc2ccccc2)[n+]2ccc(C(C)(C)C)cc2)cc1 22730768 ISXSCTQYWQDJBY-UHFFFAOYSA-O 447.624 5.399 30 20 IKED CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1-c1ccccc1C#N 25731477 FGXMCBYCGCGABG-UHFFFAOYSA-N 438.314 5.243 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1cccc2ccccc12 32788162 UYQDYNOMWDVNPU-GOSISDBHSA-N 428.561 5.327 30 20 IKED N#Cc1c(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)sc2c1CCCC2 58028758 WBNPJJTZJUIJLT-UHFFFAOYSA-N 449.601 5.774 30 20 IKED C[C@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)Nc1ccccc1C(F)(F)F 72030852 SYCUCOXYKJMEMP-HNNXBMFYSA-N 425.410 5.808 30 20 IKED Cc1sc(NC(=O)c2ccc(COc3cccc(Br)c3)o2)c(C#N)c1C 107835371 NNTHSYZKQYMKOU-UHFFFAOYSA-N 431.311 5.423 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2cnn(C(C)C)c2n1 195556918 TZRLGJLMHZBQQM-QGZVFWFLSA-N 435.940 5.588 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)c1 195620306 VREJWKAMDLOJFP-UHFFFAOYSA-N 448.469 5.099 30 20 IKED N#Cc1cc(N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)ccc1C(F)(F)F 302171759 MNYFWOPXBNAVKN-GFCCVEGCSA-N 439.363 5.023 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(OCC(F)(F)F)cc3)c2)cc1 303635839 PQGDBSSZWCXVGD-UHFFFAOYSA-N 426.394 5.331 30 20 IKED C[C@]1(c2ccc(F)cc2)CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 431988814 WJWVCBHABFIPFM-MHZLTWQESA-N 443.522 5.666 30 20 IKED C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 439350812 CTZDWBOPYQALSP-NEOYCHAESA-N 447.579 5.125 30 20 IKED N#CCC[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1 439393026 BGSKLLHINOHFLA-HSZRJFAPSA-N 428.467 5.443 30 20 IKED C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 441398764 IHHTWNUKEFATNC-IKGGRYGDSA-N 444.000 5.323 30 20 IKED C[C@@H]1CN(C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)[C@H]1c1ccccc1 442567693 CYNJILGOSFXJIA-CUHUQNRHSA-N 443.934 5.154 30 20 IKED CCN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@@H](c1ccc(C)cc1)c1cccnc1 444270041 QSYMTMPBTUHIPO-MHZLTWQESA-N 436.559 5.900 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C(C)(C)C(F)(F)F)cc3)n2)cc1 447519436 GSTFBQWKUOJXRW-GOSISDBHSA-N 444.478 6.149 30 20 IKED CCOc1ccc(O[C@H](C)c2nnc(N3CC=C(c4ccc(C#N)cc4)CC3)n2CC)cc1 460200791 JKAMFQOOLPZCII-LJQANCHMSA-N 443.551 5.002 30 20 IKED C=C(C)Cn1c(-c2cccnc2)nnc1N(CCC)Cc1nnc(-c2ccccc2Cl)o1 460802063 AIGTVOBZFASRAS-UHFFFAOYSA-N 449.946 5.036 30 20 IKED Cc1ccc([C@@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)s1 461655859 KFLIIRJXCGSRAL-SFTDATJTSA-N 433.581 5.097 30 20 IKED N#Cc1cccnc1-n1cc(NC(=O)N[C@H](c2ccccc2)c2cccc3ccccc23)cn1 462082516 WYPIRVCGSHNULR-RUZDIDTESA-N 444.498 5.203 30 20 IKED N#Cc1ccc(N2CCC(N(CC(F)(F)F)C(=O)c3ccccc3F)CC2)cc1Cl 462849801 ACEVFQSTJPEBIJ-UHFFFAOYSA-N 439.840 5.024 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)Nc1cccc(C2CCC2)c1 464124331 YUNOHORDVCQKBO-UHFFFAOYSA-N 447.482 5.556 30 20 IKED C[C@@H](C#N)CSc1ccccc1N[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 466149504 WJMLKDBOOKUYSN-QWHCGFSZSA-N 433.364 6.468 30 20 IKED C=CCNC(=O)Nc1ccc(N[C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 466297327 HKARWKKSQYZJLU-GFCCVEGCSA-N 432.311 5.524 30 20 IKED N#Cc1cc(NC(=O)N2C[C@@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)ccc1Oc1ccc(C(F)(F)F)cc1 467725766 YPRVSVFSYMINEY-FMWKFLBASA-N 443.425 5.010 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1ccc(OC)cc1 468647929 MHLQWSQMLSWFMN-KRWDZBQOSA-N 447.564 5.660 30 20 IKED N#CCSc1ccccc1NC(=O)CN1CCCC[C@H]1c1cccc(C(F)(F)F)c1 469533026 KPOMYHBCEHOUFK-IBGZPJMESA-N 433.499 5.487 30 20 IKED C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(OCC2CC2)c(F)c1 469705820 NUAZZQRSVKKGHS-CVEARBPZSA-N 427.545 5.749 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(Sc2ccccc2Cl)nn1 470528969 NQWAAVKKBIBMRQ-XLIONFOSSA-N 434.952 5.193 30 20 IKED CC[C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(C(F)(F)F)c1 470768658 CDZADDHLDYUJJJ-HXUWFJFHSA-N 443.469 5.421 30 20 IKED O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccc(-c2cncnc2)cc1F 481696542 NVJVESWCLZZPLQ-KRWDZBQOSA-N 443.322 5.335 30 20 IKED CC[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccccc1OCC(=O)N1CCCC1 481928946 TWAUYZMTEIQJKL-JWQCQUIFSA-N 431.580 5.068 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4c(C(F)F)nn(C)c4s3)n2)cc1 483457194 VEQMHQIPEJMVAR-CYBMUJFWSA-N 428.489 5.494 30 20 IKED CCc1onc(-c2ccc(Br)cc2)c1C(=O)[C@@H](C#N)c1nc2ccccc2o1 483482509 SDJXMRKPVKOTPZ-CQSZACIVSA-N 436.265 5.298 30 20 IKED Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 483604785 GFMZWHDMBQBEFM-UHFFFAOYSA-N 443.572 5.460 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)cc1 483694262 QUWCQWLGNKZIBT-FQEVSTJZSA-N 447.457 5.801 30 20 IKED CC(C)n1c([C@@H]2CCCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)nc2ccccc21 490592357 RGCFAYNDWFWJJR-JOCHJYFZSA-N 438.579 5.269 30 20 IKED CN(Cc1ccccc1NCc1cc(C#N)ccc1Br)C(=O)c1cccs1 492517371 XPOJBQMIDMQGAV-UHFFFAOYSA-N 440.366 5.267 30 20 IKED N#Cc1ccc(Br)c(CNc2ccc(F)c(NC(=O)Cc3ccccc3)c2)c1 492554618 ACIJMRHEDITASY-UHFFFAOYSA-N 438.300 5.253 30 20 IKED CCN(C(=O)CSCc1ccc(C#N)cc1)[C@H](c1ccc(C(C)C)cc1)c1cccnc1 496452632 WWHRTGCGLZIELN-HHHXNRCGSA-N 443.616 5.948 30 20 IKED CC(C)(CNCc1cn(CCC#N)nc1-c1ccccc1)c1cccc(Br)c1 500126580 XDMFNCCGAMTCII-UHFFFAOYSA-N 437.385 5.294 30 20 IKED C=CCOc1ccc(CN2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1Cl 501762551 JWDVEJINRKFBTO-LJQANCHMSA-N 442.991 5.136 30 20 IKED CSc1ccccc1[C@@H](C)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 502146244 QKGBVLUYRUBQIW-CYBMUJFWSA-N 441.607 5.307 30 20 IKED CC(C)OCc1cccc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 502316421 KACFOCKXZAGGPM-UHFFFAOYSA-N 429.520 5.901 30 20 IKED CCCCOCCOCc1cccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1 503477057 ZLEQBLKXGITDNF-UHFFFAOYSA-N 433.552 5.213 30 20 IKED Cc1ccc(-c2cc(C(=O)Nc3nc(C)c(SCC#N)s3)c3c(C)noc3n2)cc1 504821846 YLGDBGVYEWINIK-UHFFFAOYSA-N 435.534 5.140 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc3cc(Br)cc(C)c3o2)cc1 507054118 TZCSTJAKTUEEPC-UHFFFAOYSA-N 428.286 5.064 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cc1Cl 510642039 XWXLJKXHFHXFAH-JTHBVZDNSA-N 449.938 5.802 30 20 IKED N#C[C@@H](C(=O)c1ccc(C(F)(F)F)cc1N1CCCC1)c1ccc(C(F)(F)F)cn1 513724914 KIEJTGXUCJQJFR-OAHLLOKOSA-N 427.348 5.209 30 20 IKED CCn1ncc2ccc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc21 513866561 ULJZQHICLBNPLX-UHFFFAOYSA-N 427.483 5.301 30 20 IKED Cc1cccc(COc2cccc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)c2)c1 516332377 XHUBPPBXGWODLE-QFIPXVFZSA-N 425.513 5.583 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccc(C)cc4)c3C)n2)cc1 516713813 KGQQYVCJUSFTOO-FQEVSTJZSA-N 428.517 5.111 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1n[nH]c(/C=C\c2ccccc2)n1 517449143 PINHPISGQBTZEE-JNSOCZORSA-N 435.578 5.100 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NC3CCC(c4ccccc4)CC3)cc2)cc1 519077514 JATMVSLLSBEUMF-UHFFFAOYSA-N 439.515 5.132 30 20 IKED CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 520323807 ZROSDEWQHPDBJP-UHFFFAOYSA-N 427.504 5.279 30 20 IKED Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N(CC#N)C3CCCC3)c12 523147742 XUDXFKXTEDMZSD-UHFFFAOYSA-N 428.414 5.125 30 20 IKED Cc1nc(C(=O)Nc2nc(C3CC3)c(Cc3cccc(C(F)(F)F)c3)s2)ccc1C#N 523175474 XYROGQQGHVEIBT-UHFFFAOYSA-N 442.466 5.458 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)NCc3nc4cc(Cl)ccc4s3)c2)cc1 524500957 DPCKVVLHZSGLTK-UHFFFAOYSA-N 433.920 5.330 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 536230825 FEMCHCCMUUFMTP-UHFFFAOYSA-N 436.968 5.275 30 20 IKED Cc1cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)n(C2CCN(C)CC2)n1 536396806 YZDZKFWYWVTTBD-UHFFFAOYSA-N 449.942 5.028 30 20 IKED C[C@@H](N[C@@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc(OC(F)F)cc1OC(F)F 537948154 ZSGNOAFHDTWXKO-BMIGLBTASA-N 441.343 5.292 30 20 IKED CN(Cc1cc(F)c(F)c(F)c1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 538617512 QPSBQULCDAUMOK-UHFFFAOYSA-N 439.437 5.413 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)nn1-c1cccc(Cl)c1 539680109 HSONJLDIHFKBJK-OAHLLOKOSA-N 425.826 5.069 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 539757175 SAGHHUGFJKXJIX-AWEZNQCLSA-N 442.441 5.468 30 20 IKED Cc1ccc(OCCCC(=O)Nc2ccc(CN[C@H](C)c3ccc(C#N)cc3)cc2)cc1 540597007 FTTRXSJTOQUWLV-OAQYLSRUSA-N 427.548 5.515 30 20 IKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 542030938 XOTIFDRKCQYEJM-CYBMUJFWSA-N 431.393 5.127 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1nc(Cc2ccccc2Br)cs1 542391701 KQPWMGZJOAJWFJ-UHFFFAOYSA-N 441.354 5.032 30 20 IKED N#Cc1ccc(SCc2nc(Cc3c[nH]c4cc(Br)ccc34)no2)cc1 546542817 FCZNPELAQRQOLU-UHFFFAOYSA-N 425.311 5.068 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 549250753 IFMRHHNVUATDCD-VGSWGCGISA-N 431.565 5.097 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCc1ccc(C2CCCCC2)cc1 551491206 SMPCQERMWHHQLX-SFHVURJKSA-N 435.593 5.241 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(Br)c(OC(F)(F)F)c3)[nH]c12 555189717 QNUCBYPWFRVDDT-LLVKDONJSA-N 438.203 5.023 30 20 IKED COCC[C@](C)(C#N)NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1 558244796 SQHKWFCFSOAOLJ-LJQANCHMSA-N 427.715 5.488 30 20 IKED CCN(CC)C(=O)c1ccc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 560729839 RCZHADWNWYMLTK-UHFFFAOYSA-N 442.519 5.154 30 20 IKED COc1c(Br)cc(Cl)cc1NC(=O)N[C@@H](CCCC#N)c1ccccc1 567446047 WBVRNCFVECVPDX-INIZCTEOSA-N 436.737 5.668 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] 568677924 XHMWMPLISJCISV-UHFFFAOYSA-N 430.464 5.274 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)c3nccnc3-c3nc4ccccc4s3)n2)c1 576958758 ZRUVXRMUOULSPK-UHFFFAOYSA-N 440.513 5.001 30 20 IKED CC1(c2nc(-c3ccnc(C(F)(F)F)c3)no2)CCN(c2ccc(Cl)cc2C#N)CC1 582386754 QOILSSXRWKZJKL-UHFFFAOYSA-N 447.848 5.234 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 603668071 CWRONOFLJHMRST-INIZCTEOSA-N 435.549 5.035 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2cnn(-c3ccccc3)c2)cc1Cl 603673425 VLDJQZGQKTVHRG-XMMPIXPASA-N 440.934 5.752 30 20 IKED CSCc1c(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)oc2ccccc12 603835686 IJWCUZHMAZEASY-AWEZNQCLSA-N 449.557 5.375 30 20 IKED N#Cc1ccc(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)cc1Cl 603947176 BSEQLFRHVGRMTO-RDGATRHJSA-N 443.934 5.330 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CCOc2ccc3ccccc3c2)cc1 604003516 LHAKVFXXOZEXSO-UHFFFAOYSA-N 436.511 5.892 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 604363857 HSKIZOFNFKUPHR-LJQANCHMSA-N 438.487 5.903 30 20 IKED CCOc1ccccc1[C@H](C)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 604500476 GVFCJYPCXKMNHY-KRWDZBQOSA-N 428.492 5.092 30 20 IKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cccc(OCc2ccccc2C#N)c1 604519587 FYOFTJOHZQQRJZ-IGKIAQTJSA-N 440.543 5.377 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OC4CCCCC4)c3)n2)cc1 606753047 GBSYNAVUTVNTKM-JOCHJYFZSA-N 427.529 5.883 30 20 IKED O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 607185938 XHKDMTYWBZFXKX-BSTOTGJRSA-N 432.767 5.107 30 20 IKED Cc1nc(-c2cccc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2)cs1 608552881 KENXZLBQMFKRIF-OAHLLOKOSA-N 443.475 6.237 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)(C)C 608898773 CYVOFQHAXRIYAK-HXUWFJFHSA-N 433.474 5.131 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1csc(-c2ccccc2C)n1 608937326 OPXCAXBLMAQIFT-UHFFFAOYSA-N 426.501 5.738 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@@H]1CCCc2ccccc21 609079067 ZBEZVUWNNGORIP-AREMUKBSSA-N 425.532 5.987 30 20 IKED C=CCN(C(=O)Cc1cccc(OC(F)F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 609324100 XKEQTHRKNCTDJH-UHFFFAOYSA-N 445.447 5.081 30 20 IKED Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c2cnn(C(C)C)c2n1 609378646 VJYWMZUYGUAEJX-UHFFFAOYSA-N 447.486 5.598 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1csc(-c2ccco2)n1 609388975 OSXXZCHYUMUEQG-AWEZNQCLSA-N 429.592 5.669 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)nnn1-c1cccc2cnccc12 609407806 ASGVFJZZFIULPY-UHFFFAOYSA-N 446.470 5.040 30 20 IKED CN(Cc1ccc2ccccc2c1)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609437680 IHOGISLTBXQPCC-UHFFFAOYSA-N 435.483 5.101 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 609499595 UAOXHIXCOSDGAQ-HNNXBMFYSA-N 425.410 5.598 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)c1 609725263 RZGGMCKGZBSDLN-NBGIEHNGSA-N 446.934 5.902 30 20 IKED C[C@H](NC(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1cccc(C#N)c1 610317937 HFZKPYKLDRLVTB-ZDUSSCGKSA-N 430.455 5.507 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2cnn(Cc3ccccn3)c2)cc1Cl 610320901 BZJWAXGWZNURAM-QFIPXVFZSA-N 442.910 5.279 30 20 IKED N#Cc1ccc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1C(F)(F)F 610330972 XQVLQVITRGRJNM-IAZYJMLFSA-N 447.301 5.608 30 20 IKED COc1ccc([C@H](CNC(=O)N[C@H](C)c2cccc(C#N)c2)c2c[nH]c3ccccc23)cc1 610400269 XFAIYLGOKQAYTO-KOSHJBKYSA-N 438.531 5.240 30 20 IKED CSc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1NC(C)=O 613319810 PKWZOMQXAWKBMG-MRXNPFEDSA-N 441.965 5.634 30 20 IKED C=C(CNC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F)c1ccccc1 673342601 UFFYDAWZRFUZRX-UHFFFAOYSA-N 441.240 5.036 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2ccccc2CCC(F)(F)F)c1C(F)F 676227226 JBUBJPSHYZOGMD-UHFFFAOYSA-N 429.311 5.607 30 20 IKED N#C[C@H](C(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)c1nc2cc(F)ccc2s1 680168135 MBWQHUNTCDLJBG-CYBMUJFWSA-N 431.370 5.599 30 20 IKED N#C[C@H](C(=O)Cc1cccc(Br)c1)c1nc(-c2c(F)cccc2F)cs1 726329337 RMFVTSGKXJFMOC-CYBMUJFWSA-N 433.277 5.270 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OC(C)C)cc2)[n+]2ccc(CC)cc2)c1 726572635 FWDZFSHZXJXZIA-UHFFFAOYSA-O 443.592 5.628 30 20 IKED COc1ccc(N2C(=O)/C(=C/c3ccc(N(C)CCC#N)cc3)SC2=S)cc1Cl 726985471 NDIKKQMKAHKUKG-UNOMPAQXSA-N 443.981 5.104 30 20 IKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC(OC(C)C)CC2)c1=S 730564369 RSJMCUILRILXSY-UHFFFAOYSA-N 428.646 5.411 30 20 IKED CCN(C(=O)Cc1ccc(OCC#N)cc1)[C@@H](c1cccnc1)c1csc2ccccc12 732570226 KDIAIHXEMYMBSI-SANMLTNESA-N 441.556 5.379 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)NCC2(c3ccccc3)CCCCC2)ccc1OC 733642531 MGLFYBKRZGLIQI-JOCHJYFZSA-N 435.568 5.077 30 20 IKED N#C[C@H](C(=O)c1cccnc1SC(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 733680733 DYMNQQUVEDAOPW-SNVBAGLBSA-N 447.385 5.812 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNc2nc(COC)nc3scc(-c4ccccc4)c23)c1 733792700 QYEQOCVZKXSPOD-IBGZPJMESA-N 444.560 5.798 30 20 IKED CC1C/C(=C/c2nccn2Cc2ccccc2)C(=O)/C(=C\c2nccn2Cc2ccccc2)C1 734095421 AMGOTIDZCRWPNO-HSLKWFPPSA-N 448.570 5.642 30 20 IKED CS(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(Oc3cc(F)cc(F)c3)cc2)cc1F 741847573 QBDDPZDNBUGWQJ-XBXARRHUSA-N 432.419 5.196 30 20 IKED COc1cc(/C=C2\CCc3cc(C#N)ccc3C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 742438233 UCYPEKBVZUYWQU-CIAFOILYSA-N 440.455 5.267 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)c1nc(Cc2ccc(Cl)cc2)no1 743474916 OJLSRWCNXAEYTA-QGZVFWFLSA-N 444.922 5.938 30 20 IKED CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cc(C#N)cs2)NC(=S)N1c1cccc(F)c1 747959331 HIPHLUVVVVHYOQ-OAQYLSRUSA-N 448.548 5.107 30 20 IKED Oc1ccc(-c2ccccc2)cc1C=Nn1c(S)nnc1Cc1cccc2ccccc12 749444877 YUMBXLNONARXTC-UHFFFAOYSA-N 436.540 5.566 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1nc(-c2ccccc2)cs1 755518805 OLNMKRIVBGOUBH-UHFFFAOYSA-N 428.542 5.439 30 20 IKED Cc1oc(-c2ccccc2)nc1Cc1noc(-c2ccc(Oc3ccc(C#N)cn3)cc2)n1 761507567 PNXZFDRBWUZKHI-UHFFFAOYSA-N 435.443 5.350 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12 762958398 YCTSNCNIHUHFHV-NJYVYQBISA-N 425.579 5.160 30 20 IKED N#C[C@@H](C(=O)CC1(CSc2ccccc2)CC1)C(=O)Nc1ccc(Cl)cc1Cl 770845819 DRYIYJVISYVCJA-INIZCTEOSA-N 433.360 5.603 30 20 IKED C[C@H](N[C@H](C)c1ccc(OCC#N)cc1)c1cccc(NC(=O)Cc2ccccc2F)c1 776153912 JGWPMJGOQKCYCB-MOPGFXCFSA-N 431.511 5.321 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)OCC(=O)Nc1c(Cl)cccc1Cl 778176196 YMTAMAJGTZMAGH-UHFFFAOYSA-N 441.270 5.453 30 20 IKED Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)[C@H](O)c1ccc(C#N)cc1 780949952 HWBMIEGNKXGSOT-XMMPIXPASA-N 442.494 5.276 30 20 IKED CSc1ccc(C(=O)c2ccccc2C(=O)OCCCC(C)(C)C#N)cc1[N+](=O)[O-] 781912019 SGGBDAGEJOAXHU-UHFFFAOYSA-N 426.494 5.034 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(C(F)(F)F)cc3)n2)cc1 783072788 VHAFRFBSFOIONN-SCLBCKFNSA-N 446.450 5.481 30 20 IKED CC(C)(C#N)CC(=O)Oc1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1 784196083 SJNMNJSYCCVTIK-UHFFFAOYSA-N 426.270 5.011 30 20 IKED Cc1ccc(Br)nc1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 786616737 DSHGKLRROPUEGK-UHFFFAOYSA-N 438.300 5.006 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 788353854 NOSNLHZAPWXMLW-BPUTZDHNSA-N 440.471 5.085 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2CN(C)c2ccccc2)c1 788787622 PBDWOECYKFMNMF-HSZRJFAPSA-N 428.536 5.326 30 20 IKED O=C(C#Cc1ccc(C(F)(F)F)cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 790282233 AQYISRHMEKACNO-CHWSQXEVSA-N 431.298 5.083 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CCC(=O)c2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 793122555 CBYIBJTXPXXVEV-WBVHZDCISA-N 441.339 6.053 30 20 IKED CC(C)(C)OC(=O)N[C@H](CC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)c1ccccc1 797568197 GIJLJMSYSTVXMA-IAGOWNOFSA-N 427.570 5.273 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@H](c4ccccn4)C3)cc2Cl)c1 799212673 WRAICGOTOOMBNN-IBGZPJMESA-N 432.911 5.207 30 20 IKED N#CCCn1cc(CNc2ccc(OCC(F)(F)F)c(Cl)c2)c(-c2ccncc2)n1 800290721 PPIMWHQIEJXERB-UHFFFAOYSA-N 435.837 5.065 30 20 IKED N#CCOc1cccc(NC(=O)N[C@@H](c2c[nH]c3ccccc23)C(Cl)(Cl)Cl)c1 806211754 MRIACTTVTKTOMB-KRWDZBQOSA-N 437.714 5.303 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(Cc2noc(C3(c4cc(F)cc(C#N)c4)CC3)n2)cc1 809433229 ZMJVLEBOZKZGKY-UHFFFAOYSA-N 434.471 5.098 30 20 IKED CC[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(C(F)(F)F)cc1O 810239756 ZEPIDSKPRVLUEV-LJQANCHMSA-N 431.458 5.557 30 20 IKED C[C@@H](N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21)c1ccc(C#N)c(F)c1 810257607 NQELZJYTWMQNPM-VFNWGFHPSA-N 439.531 5.997 30 20 IKED O=C(O[C@H](c1nc2ccccc2o1)C(F)(F)F)c1cc(F)c(C(F)(F)F)cc1F 816062420 OGOVAMAPVGUNRS-CYBMUJFWSA-N 425.231 5.585 30 20 IKED C[C@H](Nc1ccc([C@@H](O)C(F)(F)F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 864021113 HGTPBWJTYOXTNX-BJOHPYRUSA-N 431.298 6.493 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(OC(F)F)c(Cl)c1 883977681 RTIVWZSJYXELSY-IUCAKERBSA-N 439.730 5.581 30 20 IKED COc1cc(C(=O)N(O)Cc2ccc(F)cc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 901376457 VARXFHHVQADIOJ-UHFFFAOYSA-N 446.818 5.220 30 20 IKED N#Cc1cccc(COc2cccc(NC(=S)Nc3ccc(Cl)cc3Cl)c2)c1 916000160 BZQXEDWKKDWTEZ-UHFFFAOYSA-N 428.344 6.253 30 20 IKED Cc1nc2sc3c(c2c(=O)n1N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CCCCC3 916273172 UPPHSBZCVFNMJO-UHFFFAOYSA-N 448.504 5.086 30 20 IKED Cc1c(Cl)cccc1-n1ccnc1SCC(=O)[C@H](C#N)c1ccc2ccccc2n1 916848501 KXNRMYKSBYDWED-QGZVFWFLSA-N 432.936 5.351 30 20 IKED Cc1ccc(C(=O)CCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1C 916912003 YUYLPLXTFRRQHZ-QFIPXVFZSA-N 440.499 5.406 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2nc(-c3ccccc3)cs2)cs1 917542472 DKPQSUMKFNXEFX-UHFFFAOYSA-N 433.562 5.706 30 20 IKED CCc1cccc[n+]1C(/C(O)=C1/N=C(C)C(C(C)=O)=C1C)=C(/S)N[C@H](C)c1ccccc1 917614680 XVKSZGPYZFTSMQ-QGZVFWFLSA-O 448.612 5.093 30 20 IKED Cc1ccc(-c2nc(/C=C(\C(=O)Nc3cccnc3)C(=O)c3ccccc3)cs2)cc1 918711834 CCPQCUNSCBJRKU-HMAPJEAMSA-N 425.513 5.419 30 20 IKED Cc1ccccc1C1(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CCOCC1 920109436 DZCUUZNWNJOWHK-LJQANCHMSA-N 436.964 5.697 30 20 IKED C[C@@H](OC(=O)c1ccccc1-c1ccccc1C#N)C(=O)Nc1ccc(OC(F)F)cc1 921182655 NIJWONCKDJFUQP-OAHLLOKOSA-N 436.414 5.011 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccco4)no3)cc2)CCC1 1788420419 JTNJRVQBSREEBT-HXUWFJFHSA-N 445.519 5.451 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)o4)cc3)CCC2)c1 1788879778 DMAVVTQSFGRYBA-INIZCTEOSA-N 447.922 5.622 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccnc(C(F)F)c3)CCC2)cc1 1789453389 ZELPWAISMHFDGR-HXUWFJFHSA-N 439.506 5.535 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)c(F)c3)CCC2)cc1 1790568427 YDEUKPOZNGPUHT-OAHLLOKOSA-N 445.922 5.028 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3onc4ccccc34)cc2)CCC1 1790904499 JWVGTLICRURRGF-HXUWFJFHSA-N 429.520 5.344 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@]2(F)CCCC=C2F)n[nH]1 1823592091 YGKNDAWCCNKISE-UZUQRXQVSA-N 434.531 5.140 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1823678171 JELMWWUJPOYMQF-UZUQRXQVSA-N 442.003 5.267 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccccc3n2C)CC1 1823752448 SVTVOMSVZROZDJ-XMMPIXPASA-N 449.639 5.404 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CC2)C1 1828456675 UISSEAINHVYDAC-HVHOJJEHSA-N 426.645 5.179 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2C(F)(F)F)CC1 1829939346 LWZQYMAOSGQYDX-LAUBAEHRSA-N 436.518 5.151 30 20 IKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1)C(F)(F)F 1831566387 FUGLYKGPUCEUQY-HMXCVIKNSA-N 442.566 5.187 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C(C)=C/c2cccnc2)CC1 1832193958 FNPIVJGQPLOHFG-IVEWOJHHSA-N 437.628 5.097 30 20 IKED C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)Nc1ccc(C#N)c(Cl)c1 18587319 SUOKIUNGVTXZTF-SNVBAGLBSA-N 436.846 5.293 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc(C(C)(C)C)cc2)cc1C 28779045 NNEYYGNOIKESLT-UHFFFAOYSA-O 435.588 6.078 30 20 IKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3CC)n2)nc2ccccc21 39576196 JSLQTZOHMKVFPD-UHFFFAOYSA-N 448.617 6.218 30 20 IKED CSc1nc(C2CC2)cc(C(=O)NCc2ccccc2COCc2ccccc2)c1C#N 60413472 RWCFUPQMSHXCIL-UHFFFAOYSA-N 443.572 5.199 30 20 IKED N#Cc1ccc(CN2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c(F)c1 69877891 NELWIZZHDWDQFN-RUZDIDTESA-N 434.559 5.386 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)ccc1OCc1ccccc1 195662501 ROMTZENZPJXRCT-FQEVSTJZSA-N 441.512 5.283 30 20 IKED COc1ccc(-c2cc(C(=O)N(CCC#N)Cc3ccco3)c3ccccc3n2)cc1OC 216586161 FIIHSIAODWUUMO-UHFFFAOYSA-N 441.487 5.068 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1ccccc1F 218659740 UWCZFSBVUCRLTQ-SFHVURJKSA-N 449.555 5.006 30 20 IKED N#Cc1ccc(CN[C@H](c2ccc(F)cc2)c2ccccc2I)cc1 237905795 NKGKNSMVIRYKMF-OAQYLSRUSA-N 442.275 5.181 30 20 IKED C[C@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1ccc(OCc2cccnc2)cc1 301361296 MBIKKZYUNVDBRL-INIZCTEOSA-N 425.448 5.162 30 20 IKED COc1ccccc1-c1nc(C2CCN(c3c(C#N)cnc4ccc(Cl)cc34)CC2)no1 302738831 XZWFGROFPIFJKO-UHFFFAOYSA-N 445.910 5.202 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H]1CCCO[C@H]1c1ccccc1 409554293 KWNSYTKNBUAOIE-BWKNWUBXSA-N 428.557 5.607 30 20 IKED C[C@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 426653361 AXEWWPBUJPHOJV-QGZVFWFLSA-N 439.471 5.255 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)N(CCC#N)CC1CC1 429046005 MKMKPJZJKUQVQP-UHFFFAOYSA-N 444.457 5.424 30 20 IKED CCN([C@@H](c1ccc(C(C)C)cc1)c1cccnc1)S(=O)(=O)Cc1cccc(C#N)c1 431907578 RBNCMMDQOMOOIU-VWLOTQADSA-N 433.577 5.018 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC4(CCC4)[C@H]3c3ccccc3)c2)cc1 432677232 IGHDHDXBTYJZBQ-AREMUKBSSA-N 437.543 6.091 30 20 IKED Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 437481093 AVCUUPISXZTDQY-UHFFFAOYSA-N 429.455 5.376 30 20 IKED CCc1ccccc1NC(=O)CN(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438646059 FLBFMCGSJXDCJW-UHFFFAOYSA-N 446.482 5.154 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)cc1 439510670 HHMXUMBVUIJGPI-FJTGNWTPSA-N 449.551 5.153 30 20 IKED N#CCC[C@H](NC(=O)CSc1ncnc2scc(-c3ccccc3)c12)c1ccccc1 439662839 ANENCWSEHMYPHY-FQEVSTJZSA-N 444.585 5.612 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1 444015674 WATRRMWTTKFZKA-QGZVFWFLSA-N 443.391 6.322 30 20 IKED Cc1nc([C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c2ccccc2F)no1 444388439 FPGDIOWJWBPMQD-QFIPXVFZSA-N 443.438 5.092 30 20 IKED Fc1cccc(-c2nc(CN[C@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)co2)c1 444746219 WYZDGJRASQSQBX-QGZVFWFLSA-N 432.339 6.283 30 20 IKED N#CCc1ccc(OCc2cccc(N3C(=O)N[C@H](c4ccc5ccccc5c4)C3=O)c2)cc1 445892743 DYGUTLHQWTYOTC-AREMUKBSSA-N 447.494 5.282 30 20 IKED Cc1cc([C@@H]2NC(=O)N(c3ccc(OCc4cccc(C#N)c4)c(Cl)c3)C2=O)ccc1F 445956891 MHBILAXYRCGCTD-QFIPXVFZSA-N 449.869 5.036 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC[C@@](CO)(Cc2ccccc2)C1 464607548 ZSEXIHXPELWSMA-HHHXNRCGSA-N 442.584 5.167 30 20 IKED C=C(C)CN1CCC(NC(=O)N(Cc2c(OC)ccc3ccccc23)C2CCCC2)CC1 465857507 HCNOWNJDSOXAIF-UHFFFAOYSA-N 435.612 5.343 30 20 IKED CCO[C@H]1C[C@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C12CCCC2 466434666 SJYSREKIEDKINO-ZEQRLZLVSA-N 433.552 5.191 30 20 IKED N#CCCCn1cc(C(=O)NCc2ccnc(Oc3ccccc3F)c2)c2ccccc21 470546219 JPJYDAGRSHCYJO-UHFFFAOYSA-N 428.467 5.201 30 20 IKED COc1cc(C)ccc1Oc1ccc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc1F 470844519 MLESCACLQXVZCT-IBGZPJMESA-N 429.451 5.128 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3ccc(OCc4ccccc4)cc3C)C2)n1 471930735 QOALBJCTDJTMFR-QHCPKHFHSA-N 440.547 5.004 30 20 IKED C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 473634822 ZMBOHXFJPKXOQE-NMEJYPJZSA-N 433.533 5.313 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 473641579 OISOSVOYXFYHKM-LVXARBLLSA-N 448.636 5.601 30 20 IKED N#Cc1ccc(NC(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)cc1Cl 473687392 VWABJGWQHOKRKH-UHFFFAOYSA-N 438.742 5.732 30 20 IKED CCN1CC[C@H](N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)[C@@H](C)C1 476807739 OZSOJNGFANJFBC-KKSFZXQISA-N 426.948 5.198 30 20 IKED COc1ccccc1-c1csc(C2CCN(C(=O)N[C@@H](C)c3ccc(C#N)cc3)CC2)n1 478799624 VHOFSMCSVZHDTI-KRWDZBQOSA-N 446.576 5.341 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 480567998 IPGQCEJZIOKOLP-LJQANCHMSA-N 431.561 5.054 30 20 IKED N#Cc1cc(C(=O)Nc2ncc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)s2)c[nH]1 487772397 STOUULSSJNOBSS-UHFFFAOYSA-N 444.360 5.224 30 20 IKED COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)N(C)CC(C)(C)C#N)cc1 497336860 QWCBRZNUPVMOJT-XDJHFCHBSA-N 425.532 5.352 30 20 IKED C[C@@H](NC(=O)C1(Cc2cccc(F)c2)CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 498949375 UXFRXLVBRWASRY-HXUWFJFHSA-N 442.534 5.581 30 20 IKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cnn1C1CCOCC1 501103313 YVMGEIMPHLZHHD-OAQYLSRUSA-N 434.927 5.104 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 502229103 PJOPDYDXMFABCS-HXUWFJFHSA-N 441.535 5.295 30 20 IKED C[C@H]1CCc2c(sc3nc([C@H](C)N4CC=C(c5ccc(C#N)cc5)CC4)nc(O)c23)C1 502548764 OXINAZHBGBVTPN-HOTGVXAUSA-N 430.577 5.244 30 20 IKED N#Cc1cn(CCOc2cc(Cl)ccc2Cl)c2ccc(Br)cc2c1=O 502854223 CKAOBGZCFJHKPX-UHFFFAOYSA-N 438.108 5.021 30 20 IKED C=CCN(CC=C)C(=O)[C@H](C)S[C@@H](C)c1nc(O)c2c(-c3ccco3)csc2n1 505282376 YVKDFSZVPJPHKE-KBPBESRZSA-N 429.567 5.040 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCOC[C@@H]1c1nc2ccccc2s1 505310356 KCJCQJAGQAKJFY-MAUKXSAKSA-N 438.578 5.153 30 20 IKED COc1cc([C@@H](C#N)NC(=O)C(C)(C)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC 505501048 MSNOTMBPWQWMQE-JOCHJYFZSA-N 444.531 5.038 30 20 IKED N#C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1cccc(C(F)(F)F)c1 505987569 SAVFDZHILMXXMD-ZDUSSCGKSA-N 441.887 5.467 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C 507070711 QKTAYSSOJPGEEV-GOSISDBHSA-N 446.576 5.458 30 20 IKED CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 510634611 SIDVRBWZXWQEKC-SFHVURJKSA-N 442.519 5.657 30 20 IKED C[C@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1nc2ccccc2n1C(F)F 513130433 UNRMIHYMLDDFCT-INIZCTEOSA-N 446.457 5.373 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1-c1cccc(C)c1 514357240 AZESHSPFGDEREO-INIZCTEOSA-N 426.973 5.521 30 20 IKED Cc1cc(-c2cc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)c3c(C)noc3n2)c(C)o1 514495462 ZZVIFZAFYIRDCB-UHFFFAOYSA-N 428.492 5.331 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCc1cnn(-c2ccccc2)c1 514495922 XPCLQGHLWSHSNM-UHFFFAOYSA-N 438.506 5.358 30 20 IKED Cc1cccc(-n2ncc(C(=O)Nc3sc4c(c3C#N)CCCC4)c2C(F)(F)F)c1 514731083 JBJODJTWENLZKF-UHFFFAOYSA-N 430.455 5.264 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 515541947 HUPTYSJJUZAJGT-GOSISDBHSA-N 449.532 5.783 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 517780875 JOHZXBHMIVHBQX-HXUWFJFHSA-N 427.932 5.212 30 20 IKED N#C[C@@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1cccc(Cl)c1Cl 519485199 JRLIQEUUZCMPQZ-LJQANCHMSA-N 439.302 5.632 30 20 IKED CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 519619089 XSLNWCYXOCIYNZ-BTZRARBUSA-N 442.519 5.218 30 20 IKED COc1ccc(CCC2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)cc1 521259738 QCNMXFGBILYUSJ-LJQANCHMSA-N 437.609 5.824 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl 522813017 FNUIJZOOHSZCJP-STQMWFEESA-N 436.364 5.204 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(Cl)c3SCC(F)F)cc2)nc1 522945084 LNBUZEMDBSLHAB-UHFFFAOYSA-N 445.878 6.008 30 20 IKED C[C@@H]1CCCCN1Cc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1 523276173 FFMJQNPFILTNCL-LJQANCHMSA-N 429.520 5.357 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 524439369 UQZXLWWVXVPODV-UIOOFZCWSA-N 441.531 5.488 30 20 IKED CSc1ccc(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 525856715 IEJXQVPIDCOMBD-UHFFFAOYSA-N 439.484 5.010 30 20 IKED CC(C)(C)c1ccc([C@H]2CCCN2C(=O)Cn2nc(C(C)(C)C)c(CCC#N)c2O)cc1 536151869 STDJDOQFTATRIX-OAQYLSRUSA-N 436.600 5.004 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1cc(F)c(F)c(F)c1 537512954 FHDMYMZJADVEAP-UHFFFAOYSA-N 425.410 5.740 30 20 IKED CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 538179117 FCQMRAAFRYIBNJ-CQSZACIVSA-N 430.436 5.330 30 20 IKED Cc1sc([C@H](C)NCC(=O)Nc2cc(Cl)ccc2C#N)nc1-c1ccc(Cl)cc1 541645743 VPFIMXGLGJPKLN-LBPRGKRZSA-N 445.375 5.586 30 20 IKED N#Cc1cc(C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)ccc1Cl 542549625 CKHIDNPHJOZBIP-UHFFFAOYSA-N 426.907 5.053 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)N1CCC(CC#N)CC1 542850023 LZVLCZCUVQURPS-CQSZACIVSA-N 447.402 5.277 30 20 IKED CC(C)CC(=O)Nc1ccc(NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc1 543892505 KQCZRPYAZBSAJK-UHFFFAOYSA-N 436.903 5.026 30 20 IKED CCCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@H](c1ccc(F)cc1)c1cccnc1 550836735 KDDIHAJJOAFTIK-HXUWFJFHSA-N 442.416 5.148 30 20 IKED CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1 551236329 MFZJQGPRURXHRW-UHFFFAOYSA-N 437.849 5.145 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(C(F)(F)F)cn1 551386670 SUVXQENRSGJKLA-UHFFFAOYSA-N 440.878 5.403 30 20 IKED N#CC1(CCCSc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)CCOCC1 553495668 IVKPRDDECGBYCG-UHFFFAOYSA-N 439.968 5.232 30 20 IKED CCN(Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1)C(C)C 554323920 YHCOIIVULSGOJP-QFIPXVFZSA-N 433.577 5.539 30 20 IKED CC(=O)Nc1ccc(Cl)c(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1 557455003 YQLFOVNWIZDJBO-UHFFFAOYSA-N 445.350 5.069 30 20 IKED C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)c1cn(CCCC#N)c2ccccc12 561736941 MJAVRBBHIAEWNF-KRWDZBQOSA-N 427.470 5.667 30 20 IKED C=C(C)Cn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CCC(C)(C#N)CC1 565316586 CXJXFCKVDTVZCY-UHFFFAOYSA-N 445.542 5.369 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CC[C@@H](CSc4ccccc4)C3)cc2)ccn1 573612506 HYZVECOAKCOJDU-GOSISDBHSA-N 430.533 5.392 30 20 IKED COc1cc(CN[C@@H](CCCC#N)c2ccccc2)cc(Br)c1OC(F)F 573631889 FMXXPMOULQJLKK-KRWDZBQOSA-N 439.300 5.584 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(-c3nncs3)cc2)cc1 575906478 BWOCMLCSBSTIMY-UHFFFAOYSA-N 428.542 5.621 30 20 IKED N#Cc1cc(NC(=O)NC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)ccc1F 578807189 DPTWUYGPMGCGMJ-UHFFFAOYSA-N 445.494 5.104 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(CC(=O)N[C@H](CC)c2ccccc2)no1 578869711 ATHUJRYLSWXYFJ-GOSISDBHSA-N 445.441 5.130 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)cc1 603708413 GYHGEYHZRMJDKE-XMMPIXPASA-N 437.499 5.078 30 20 IKED C[S@](=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 603838330 GPAGXSXNGZUQCP-QZXCRCNTSA-N 435.357 5.344 30 20 IKED CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 604003663 KOILXXISKKKOJC-UHFFFAOYSA-N 433.489 5.214 30 20 IKED COC[C@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1cccc(C(F)(F)F)c1 605340253 WDLBIMYZJTZMJP-QFIPXVFZSA-N 439.437 5.009 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H](CC)c2ccc(F)cc2F)cc1OC 606471305 QKHPXNODVDQJKX-SFHVURJKSA-N 426.301 5.542 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)c1ccc(F)c(Cl)c1 609068863 ZUVSABFTCJTJRW-UHFFFAOYSA-N 430.888 5.039 30 20 IKED COc1ccc(NC(=O)NCc2cccc(C#N)c2)cc1OCc1ccc2ccccc2n1 609080518 GJIOOXADQGVVKG-UHFFFAOYSA-N 438.487 5.016 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1I 609090007 UDJBNLKJUGLKPR-OAHLLOKOSA-N 444.297 5.213 30 20 IKED N#CCCSc1ccccc1NC(=O)Cc1cccc(OCc2ccccc2Cl)c1 609378855 YFSVRAIAWCHTQG-UHFFFAOYSA-N 436.964 6.106 30 20 IKED N#Cc1ccccc1COc1cccc(CNCC2CCN(Cc3cccs3)CC2)c1 609433423 ZUYYDSXDXRJEGR-UHFFFAOYSA-N 431.605 5.201 30 20 IKED COc1ccc([C@H](NC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccc(C)cc2)cc1 609437032 LPRZUWDHTOVPCM-UQBPGWFLSA-N 445.588 6.309 30 20 IKED COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 609520561 SMBYVBQTYNPCHS-QHCPKHFHSA-N 426.516 5.401 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1cc2ccccc2nc1O 609526099 QONAORKZBBTAKW-UHFFFAOYSA-N 425.463 5.036 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(CSC3CCOCC3)c2)o1 609699419 PYGHNUKICAQWSC-UHFFFAOYSA-N 448.544 5.395 30 20 IKED C[C@H](Sc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)c1ccc(C#N)cc1 609813618 SHNAULDZHGKJLE-KRWDZBQOSA-N 440.528 5.447 30 20 IKED CC(C)n1c(CCNC(=O)c2cccc(COc3cccc(C#N)c3)c2)nc2ccccc21 609885469 GFUNIMACJXUALK-UHFFFAOYSA-N 438.531 5.040 30 20 IKED CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 609928140 KJWSNRIOWWSBBR-OYHNWAKOSA-N 436.899 5.297 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCCC[C@@H]2c2noc(C3CC3)n2)cc1 609975591 SOEZNXODPAGTFQ-HXUWFJFHSA-N 432.455 5.117 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Nc3ccc(NC[C@H]4CCCO4)c(F)c3)cn2)cc1 610094336 XQDWPBBWJFTAGE-HXUWFJFHSA-N 447.470 5.120 30 20 IKED Cc1cccc([C@H](C)CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 610159059 ZXRVZXGYUQFDFC-LJQANCHMSA-N 443.572 5.131 30 20 IKED Cc1cccc2c(CCC(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)c[nH]c12 610168214 PZJCVEOMHZMDPM-UHFFFAOYSA-N 433.562 5.063 30 20 IKED CCc1ccc(N(C(C)=O)c2nc(CSc3ccc(Cl)cc3C#N)cs2)cc1 610655149 RJTGMESDKIBTMH-UHFFFAOYSA-N 427.982 6.207 30 20 IKED N#CCCCOc1cccc(CNc2ccc(CC(=O)N3CCCc4ccccc43)cc2)c1 610910639 MMPOQEGCSWPCJN-UHFFFAOYSA-N 439.559 5.503 30 20 IKED N#C[C@H](C(=O)c1ccccc1CSc1nc2ccccc2o1)c1ccc2ccccc2n1 613290596 IEMZNUYNQRFVOY-FQEVSTJZSA-N 435.508 6.158 30 20 IKED N#Cc1c(N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)nc2c(c1C#N)CCCCCC2 619477631 PXGLEIQHRMAKIG-STQMWFEESA-N 430.396 5.051 30 20 IKED Cc1cccc2sc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c(Cl)c12 619756488 CDHJBEIOGMYAME-OAHLLOKOSA-N 433.945 6.348 30 20 IKED C=CCn1c(S[C@H](C(=O)N2CCCC[C@H]2C)C(C)C)nnc1-c1ccc(Cl)cc1 639428728 ZQFUBNRACLSFDC-APWZRJJASA-N 433.021 5.302 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@H](C#N)c1nc2ccccc2o1 642281446 IMCBQRYDHHFGRC-AWEZNQCLSA-N 427.407 5.769 30 20 IKED Cc1nc(C(F)(F)F)ccc1NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 670060642 BHMZFUWQTLNMOG-MYJAWHEDSA-N 437.306 5.440 30 20 IKED C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC([C@H]2CCOC2)CC1 670212306 REWSLPWRWWFMEE-NRFANRHFSA-N 449.624 5.206 30 20 IKED O=C(CC1(C(F)(F)F)CC1)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 673177990 OIVADFPAZVMSBH-UHFFFAOYSA-N 439.274 5.240 30 20 IKED C[C@@H]1CCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@H](F)C(F)(F)F)(C4)C3)C[C@@H]1F 679247741 HENDBOKCLRWQGY-PCIJSMSKSA-N 429.420 5.315 30 20 IKED COc1ccc(OC)c(NC(=S)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1 726485548 RGTWJWCBLSNESX-UHFFFAOYSA-N 435.524 5.427 30 20 IKED C[C@H](c1ccc(Cl)cc1Cl)N1C(=O)/C(=C\c2ccc(OCC#N)cc2)SC1=S 726626457 CKNBFDCDCUEYHG-SGEFVQMOSA-N 449.384 5.858 30 20 IKED N#Cc1ccc(Oc2cccc(NCC(=O)Nc3ccc(SC(F)F)cc3)c2)cc1 729675071 DSPKSEXWMLIEFS-UHFFFAOYSA-N 425.460 5.716 30 20 IKED CCN(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)C(c1ccccc1)c1ccccc1 730261554 MWERRZJCJLRIAN-HSZRJFAPSA-N 432.527 5.335 30 20 IKED Cc1nc2ccccc2n1Cc1cc(NC(=O)c2ccccc2SCC#N)ccc1Cl 732145914 ISCSOWBPTQOFCJ-UHFFFAOYSA-N 446.963 5.914 30 20 IKED C=CC[C@H](NC(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccncc1 734657520 HUHHVPMWFJYFSK-UUOWRZLLSA-N 446.526 5.080 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)c3ccc(OCc4ccncc4)cc3)c2)s1 739749076 FHGCCDUSOUEAPF-UHFFFAOYSA-N 425.513 5.191 30 20 IKED N#Cc1cnc2ccc(Cl)cc2c1N1CCO[C@H](c2ccccc2Br)C1 742398793 AWBUGSWHSABISP-IBGZPJMESA-N 428.717 5.100 30 20 IKED CC(C)c1ccc(-c2nc(C(=O)OCc3nnc(-c4cccc(C#N)c4)o3)cs2)cc1 744547960 JHTXXICEPGSQSS-UHFFFAOYSA-N 430.489 5.212 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccccc1SCCC#N)c1ccccc1 746166278 BHYIHLNAKXCJJP-IBGZPJMESA-N 425.554 5.287 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H]3C[C@H](O)c3ccc(F)cc3)c2)cc1 746241859 PQXYJNLTCZMILD-DHLKQENFSA-N 430.479 5.218 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cccc(OC(F)F)c2)c1 747042079 MQCIQKOKVUIVQJ-UHFFFAOYSA-N 432.496 5.061 30 20 IKED N#CCN(Cn1nc(-c2ccc(Br)cc2)n(C2CCCCC2)c1=S)C1CC1 747789197 AYKZOELPPDUQBJ-UHFFFAOYSA-N 446.418 5.294 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 748312170 IZIJVWUELKSWOH-RUZDIDTESA-N 446.547 5.434 30 20 IKED CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccc(C#N)s2)NC(=S)N1c1ccccc1 749016151 YONCNWCZDUWUOX-OAQYLSRUSA-N 448.548 5.107 30 20 IKED N#C[C@H](C(=O)CN(Cc1cc(F)ccc1F)C1CCCC1)c1nc2ccccc2s1 751502768 BNLITFMVHDLUPI-GOSISDBHSA-N 425.504 5.196 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2oc3ccc(Br)cc3c2C)cc1C#N 752199748 MFLISGNZOKUVNE-UHFFFAOYSA-N 442.269 5.196 30 20 IKED Cc1cc(C)c2nc(C3CC3)cc(C(=O)OCC(=O)Nc3ccccc3SCC#N)c2c1 752584812 ZXFJODUVSANVBB-UHFFFAOYSA-N 445.544 5.140 30 20 IKED Sc1nnc(-c2ccccc2Cl)n1N=Cc1c[nH]c2cccc(Br)c12 754701522 USMBXPCAKNRFBY-UHFFFAOYSA-N 432.734 5.013 30 20 IKED Cc1sc([C@H](C)NC(=O)NCc2cc(C#N)ccc2F)nc1-c1ccc(Cl)cc1 755172939 FQMQGHKEMHHQTF-LBPRGKRZSA-N 428.920 5.343 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCCc2csc3ccccc23)cc1Cl 756229554 AYKNHAVLQKNPQS-KRWDZBQOSA-N 426.925 5.234 30 20 IKED C#CC[C@@H](NC(=O)Nc1ccc(N2CCC(OC)CC2)c(C(F)(F)F)c1)c1ccccc1 757883993 VYHYMFBNNIRYKP-OAQYLSRUSA-N 445.485 5.207 30 20 IKED Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)Nc1cc(C#N)ccc1OC(C)C 760021311 NTWBMODRIAYRSU-LJQANCHMSA-N 443.979 5.529 30 20 IKED CN(C)c1ccc(N=Nc2ccccc2C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)cc1 764306394 VXZLGULPCIYLIZ-UHFFFAOYSA-N 448.870 5.854 30 20 IKED Cc1sc2ncnc(N3CCC(C(=O)OCc4ccccc4C(C)(C)C#N)CC3)c2c1C 767985186 VYUZMODTLUJNIK-UHFFFAOYSA-N 448.592 5.069 30 20 IKED COc1ccc(Br)c(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 768559470 BJGCSALUPOUHET-NRFANRHFSA-N 435.321 5.294 30 20 IKED Cc1nc(NCC(=O)N[C@H](C#N)c2ccc(Cl)cc2)c2cc(-c3ccccc3)sc2n1 770953435 APXLQUOPEVQVJV-LJQANCHMSA-N 447.951 5.113 30 20 IKED CN(C)c1ccc(C2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)cc1 775488246 NXJDZIJAXZVQBE-MHZLTWQESA-N 438.575 5.820 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1O[C@@H](C)C#N 780678822 XVZNVDNNUQJZCR-AWEZNQCLSA-N 432.293 5.099 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)c2)s1 780777967 UOFYWFAFBOALGL-UHFFFAOYSA-N 435.508 5.211 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CCOc3cc(F)ccc3C2=O)cs1 781555425 JEKNSFSEPDASBU-GXDHUFHOSA-N 426.444 5.155 30 20 IKED CC[C@@H](NC(=O)[C@@H](C#N)C(=O)c1sc(-c2ccc(Cl)s2)nc1C)c1ccccc1 787035442 DUMUEBRQAMQDMS-LSDHHAIUSA-N 443.981 5.423 30 20 IKED COc1cccc(C(=O)/C(=C/c2cccc(OCc3cccc(C#N)c3)c2)c2ncc[nH]2)c1 787170510 WWMPJSCJNIHUJO-MYYYXRDXSA-N 435.483 5.292 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1NCc1cn(CCC#N)nc1-c1ccncc1 789745862 HKOLJEVQOIAZEW-UHFFFAOYSA-N 432.528 5.126 30 20 IKED C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 793128256 IPWGFNPWFZCEHK-HTAPYJJXSA-N 425.513 5.516 30 20 IKED O=C(Nc1cccc(/C=C/C(=O)c2ccccc2-n2ccnn2)c1)c1ccccc1Cl 794733035 VNJDFSLJEOBWNR-OUKQBFOZSA-N 428.879 5.069 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1 804562735 RAQJJWPOCYABCW-UHFFFAOYSA-N 426.561 5.338 30 20 IKED C[C@@]1(c2ccc(F)cc2)NC(=O)N(c2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1=O 812460729 TWFQZIYJABZTLG-RDPSFJRHSA-N 433.870 5.106 30 20 IKED CC(C)c1ccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc1 813216462 SGDAIPCJYUKYAZ-SFHVURJKSA-N 444.482 5.378 30 20 IKED COc1cccc(/C=C(/CC(=O)OCc2cccnc2C#N)c2nc3ccccc3s2)c1 813309209 XFLIETRDPZRBPL-UNOMPAQXSA-N 441.512 5.246 30 20 IKED CC(=NNc1nccnc1C(C)C)c1sc(-c2ccccc2Br)nc1C 814917565 XRQOQNZIWZPCTO-UHFFFAOYSA-N 430.375 5.631 30 20 IKED COCc1nc(Cl)cc(NN=C(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 814977590 UKTFTKXPFSCFCD-UHFFFAOYSA-N 426.748 5.150 30 20 IKED Cc1cc(C#N)cnc1C(=O)O[C@H](c1c(F)cncc1Br)C1CCCCC1 815945975 ZAGYSICOZICQNA-IBGZPJMESA-N 432.293 5.037 30 20 IKED CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1c2ccccc2c(Cl)c2ccccc12 912828527 WIPPTAZVFOTGLM-UHFFFAOYSA-N 436.968 5.500 30 20 IKED C=CCOc1ccc(C(=O)OCc2csc(N(C(C)=O)c3ccccc3CC)n2)cc1 913365959 ZUEQXHLOOJNNKM-UHFFFAOYSA-N 436.533 5.312 30 20 IKED CS(=O)(=O)c1ccc(NN=Cc2ccc(-c3ccccc3Br)s2)cc1 914836457 MUMCSGFUJBMSDV-UHFFFAOYSA-N 435.368 5.027 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)N(CC)CC)c(Cl)c2)cc1OC 915170154 IYXKFPXFXJMUDL-UKTHLTGXSA-N 442.943 5.047 30 20 IKED COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 915281406 IGMDRFMJXBBGGS-UHFFFAOYSA-N 438.842 5.139 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccco2)Cc2cccs2)cc1 915351452 CFPCAINTXXVVQV-XMMPIXPASA-N 427.529 6.231 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=S)Nc3ccc(F)c(Cl)c3)c2)cc1 916026257 RPJOCZIAFJGSLE-UHFFFAOYSA-N 425.916 5.933 30 20 IKED CCCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 916877556 UNEQCIFWMINNCM-SFHVURJKSA-N 437.590 5.217 30 20 IKED CC(C)(C)c1ccc(/C=C/C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 916888008 SHESFXOFPQKPTR-HBYKMFCXSA-N 428.504 5.660 30 20 IKED Cc1cc(C)c(C(=O)CCCC(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)c(C)c1 916919370 WLTHVOVWMFMVJF-JOCHJYFZSA-N 426.516 5.466 30 20 IKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN(C[C@@H]2CCOC2)C2CC2)c1=S 917451524 WTFOEQKQZFRYED-SFHVURJKSA-N 426.630 5.023 30 20 IKED O=C(C(=NN=Cc1csc(COc2ccccc2)n1)c1ccccc1)c1ccccc1 918708058 VEELJKXUYPFEJK-UHFFFAOYSA-N 425.513 5.428 30 20 IKED Cc1ccc(-c2nc(C=Nn3cnc4sc(C)c(-c5ccccc5)c4c3=O)cs2)cc1 918709392 HTVSVUFWVOKXSD-UHFFFAOYSA-N 442.569 5.748 30 20 IKED C[C@H](C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1)c1ccccc1 1790708480 WHVZJAKQYQBIRI-FQEVSTJZSA-N 437.543 5.304 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc4ncccc4[nH]3)cc2)CCC1 1790840656 PNGFTIDTDBHFGD-HXUWFJFHSA-N 428.536 5.079 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCC2CCCC2)[C@@H]1c1cccnc1 1806205649 YYRKMLFXPZYJEW-VWNXMTODSA-N 425.617 5.050 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2C2CC2)[C@H]1c1cccnc1 1810501358 BXRUBPKKWWOALO-RDGATRHJSA-N 445.607 5.271 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](CCC)n2cccc2)n[nH]1 1818055899 XWWVIBNHIKOAGM-VXKWHMMOSA-N 437.588 5.013 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)n[nH]1 1818932540 PDGCGLJMFUGUMG-ZZLPTCMGSA-N 438.616 5.202 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3cc(C)[nH]c23)[nH]n1 1819305616 MBCLSHDVIYJKNC-SIKLNZKXSA-N 445.567 5.274 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccc(C)cc4s3)CC2)C1 1823701908 UFRJGUIQAJFRNL-JOCHJYFZSA-N 436.621 5.409 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3ccoc3c2)CC1 1824143940 WMHQRLVFOPKMDT-DEOSSOPVSA-N 434.580 5.435 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)cc2F)CC1 1828822784 ANROASJEBSXCGU-REWPJTCUSA-N 446.994 5.481 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)ccc2F)CC1 1829884610 JZDGBVFJGXWNJS-QFIPXVFZSA-N 432.555 5.191 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2Cl)CC1 1829893833 FMYPCXVTIWVVCC-NFBKMPQASA-N 429.004 5.342 30 20 IKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)CC1 1830420104 AGMIDSLZQUOEIG-QFIPXVFZSA-N 434.690 5.132 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1 1831474917 IFRXFYWOMKABRQ-HKTJVKLFSA-N 426.645 5.201 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1 1831482739 WJHUNLVDEZLACD-AZCRNNOYSA-N 426.645 5.201 30 20 IKED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCCC(C)(C)C)CC1 1831577247 FXVJCOQFUWXTEI-XZOQPEGZSA-N 448.692 5.176 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@]3(C)CC=CCC3)CC2)c1 1832410144 BCWVHCQIBZNHII-LFGPKHSOSA-N 447.623 5.293 30 20 IKED CCCn1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nnc1-c1ccc(Cl)cc1 9139525 HIKLHOMYENEIGP-UHFFFAOYSA-N 446.363 5.264 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)NCCc2ccccc2)cc1 23604825 HSSLCLRMAXHCOI-UHFFFAOYSA-O 448.656 5.594 30 20 IKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cc(C)ccc2C)[n+]2cccc(C)c2)c1C 28793478 CFVQSEROALJYKE-UHFFFAOYSA-O 434.585 5.098 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 30503723 SUONRKYDEAUDGA-NRFANRHFSA-N 443.528 5.079 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnc2ccccc2c1C(F)(F)F 97392294 TWDUJYHBJQYVRJ-UHFFFAOYSA-N 448.404 5.873 30 20 IKED C=CCOc1c(Br)cc(CN[C@H]2CCSc3ccc(F)cc32)cc1OC 302839814 YZUHOYHMQKVNAZ-KRWDZBQOSA-N 438.362 5.488 30 20 IKED CCN(C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)[C@H](C)c1ccc(C#N)cc1 303091396 DDJXDYDSMUJQRY-CQSZACIVSA-N 429.467 5.924 30 20 IKED CC(C)n1c([C@H]2CCCN([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)nc2ccccc21 303590776 RXIQATNBTZTJJF-VXKWHMMOSA-N 443.595 5.132 30 20 IKED C[C@H](NC(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1)c1ccc(-c2cccc(C#N)c2)cc1 426212453 YYYSSSCLHNSQBJ-KBPBESRZSA-N 444.482 5.822 30 20 IKED CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 435289958 PGDVVBFXJMLEDV-HRAATJIYSA-N 427.545 5.014 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)c1 437757172 IKGYNCUIGGXYCO-UHFFFAOYSA-N 428.448 5.455 30 20 IKED Cc1cccc([C@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1C 437759420 OTZUOSFTQYIUCU-HHHXNRCGSA-N 439.559 6.318 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2cnn(Cc3ccncc3)c2)cc1Cl 437784530 ZEBLVFDGYOFEAW-QFIPXVFZSA-N 442.910 5.279 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 438038207 ABUVYUHYGGNBCC-LLGFUMIMSA-N 428.627 5.347 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCCc3nc(C(F)(F)F)cs3)cc2)cc1 438226138 OWMBMPYEAJMYPA-UHFFFAOYSA-N 432.427 5.190 30 20 IKED CCO[C@H](C)c1nc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cs1 438229596 UIMNEDYWJJBTPI-MRXNPFEDSA-N 436.537 5.568 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(COCc2ccccc2)cc1 438365743 SJIOKUBWXRJIAF-FTJBHMTQSA-N 425.532 5.707 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)Nc1cccc(CO[C@H]2CCC[C@H](C)C2)c1 438725988 UMGTZIWEYMMPJP-AVRDEDQJSA-N 449.551 5.018 30 20 IKED C[C@@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)Nc1sc2c(c1C#N)CCC2 439647932 NGXGVVXHZFORJS-CQSZACIVSA-N 446.507 5.351 30 20 IKED CN(C(=O)N[C@@H](CCC#N)c1ccccc1)[C@@H]1CCSc2ccc(Br)cc21 440252720 GUQJYNSOJSSTGA-RBUKOAKNSA-N 444.398 5.672 30 20 IKED O=C(Nc1cccc(CCC(F)(F)F)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 440696395 XQDMKUWGCDJKFJ-UHFFFAOYSA-N 445.338 5.777 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1cccc2ccc(C)nc12)c1ccc(C(F)(F)F)cc1 442048715 AEKJWKAGPMGHAQ-LJQANCHMSA-N 441.453 5.324 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1ccc2ncsc2c1)c1ccc(C(F)(F)F)cc1 442053190 HRLSNCCTHAQGSK-INIZCTEOSA-N 433.455 5.077 30 20 IKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc(C#N)c(O)c1 442948064 UCDRVUDMECWUKU-UHFFFAOYSA-N 439.393 5.096 30 20 IKED CC[C@@H](c1ccccc1)N1CC(=O)N(c2ccc(Oc3ccc(C#N)cc3OC)cc2)C1=O 445946896 OQJTUDMLDKZKQQ-QFIPXVFZSA-N 441.487 5.279 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1ccc(Br)cc1F 461737189 VRISTEGMFFYKKO-OAHLLOKOSA-N 437.357 5.215 30 20 IKED C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 462808646 DUEIWFVFBFOBDF-CPJSRVTESA-N 441.600 5.101 30 20 IKED COc1cc([C@H](C#N)NC(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)cc(OC)c1OC 463629475 IVGVYLVKZRTFGX-IBGZPJMESA-N 448.519 5.265 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@](CO)(Cc4ccccc4)C3)c2)cc1 463751238 DYMDYWHLHKHEBQ-HHHXNRCGSA-N 441.531 5.200 30 20 IKED N#CCCN(C(=O)CCC(=O)N1Cc2ccccc2C[C@H]1c1ccccc1)c1ccccc1 464220995 JDDRHLLCJBQDDK-SANMLTNESA-N 437.543 5.040 30 20 IKED Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2ccccc2Sc2ccccc2C#N)cc1 464893591 LTDUBLNTRILLJY-GJZUVCINSA-N 442.584 5.916 30 20 IKED COc1ccc([C@@H](C)CCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 466058775 XNZGNPXMCNHFQT-FQEVSTJZSA-N 443.547 5.656 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)N[C@@H](CCC#N)c1ccccc1 467282456 BBWSYDGNBRKEEN-QHCPKHFHSA-N 446.938 6.067 30 20 IKED N#CCC[C@H](NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1 469024919 PMVDEUQWNOXXQV-IBGZPJMESA-N 443.334 5.527 30 20 IKED Cc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(Br)s1 471334623 DKSULVZXVTZIMH-UHFFFAOYSA-N 427.323 6.044 30 20 IKED Cn1c(CNc2ccc(Oc3ccccc3C#N)c(F)c2)nnc1-c1ccc(Cl)cc1 471990984 GRSFCLPYUWXTPP-UHFFFAOYSA-N 433.874 5.551 30 20 IKED Cc1ccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(-c2nc(C3CC3)no2)c1 472838427 VIYINBFMSVYLHV-IFMALSPDSA-N 427.508 5.226 30 20 IKED N#CC[C@@H](CC(=O)N(CC(=O)Nc1ccccc1F)Cc1ccccc1F)c1ccccc1 474970047 VCOOXMUZRJFCMJ-FQEVSTJZSA-N 447.485 5.020 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(CCN2CCCC[C@@H]2C)CC1 478804771 JYOBLTDTIHFDGZ-PMACEKPBSA-N 428.646 5.589 30 20 IKED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)cc1 481029733 BISVVSJFPINROK-HRAATJIYSA-N 445.972 5.175 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cccc(CSCC)c2)nnc1-c1ccco1 481897249 RPEPFKLLHLTMQP-UHFFFAOYSA-N 428.583 5.098 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NCc3ccc(OCc4ccccn4)cc3)c2)cc1 482791831 RNCNXJVWBZZHEU-UHFFFAOYSA-N 435.483 5.255 30 20 IKED C=CCN(C(=O)c1cncc(OC)n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 485615119 SLHKDEYCUOWTNI-UHFFFAOYSA-N 428.517 5.109 30 20 IKED C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N[C@H](CCCC#N)c2ccccc2)cc1 487500240 JINFZQQEJLVXBC-TYBLODHISA-N 447.579 5.020 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2csc(-c3ccccc3)n2)cc1 487997420 PZQJBJBIFZDCIZ-UHFFFAOYSA-N 427.504 5.663 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)nnc1-c1ccc(C)cc1 489661123 PLEHHOMOAFIQSO-IEBWSBKVSA-N 438.622 5.345 30 20 IKED CCN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)c(OC)c1)CCC2 492093599 GNKFGEDCIRTWCI-KNTRCKAVSA-N 441.531 5.115 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 494161765 CXDFLFCQOVREMG-UHFFFAOYSA-N 442.906 5.384 30 20 IKED C[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@@H](C)c1ccccc1C(F)(F)F 499426237 DTYNUKRSOYEIAP-MSOLQXFVSA-N 445.485 5.041 30 20 IKED C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)o1 500643035 BCHPPSWJPRWGII-BFYKDQAASA-N 426.516 5.467 30 20 IKED COc1ccccc1[C@H](C)NC(=O)[C@H](C)Sc1nc2c(c(-c3ccco3)c1C#N)CCC2 501540570 YWPYROYXGBEYNE-HOTGVXAUSA-N 447.560 5.069 30 20 IKED C=CCN(C(=O)c1nn(-c2ccccc2)cc1OCC(C)C)c1nc2c(s1)CCCC2 503147453 FYXKTEUZKXBNCW-UHFFFAOYSA-N 436.581 5.075 30 20 IKED N#Cc1ccccc1CN[C@@H](c1ccc(F)cc1)c1ccccc1I 504243500 JHIRZQNVEBLVAI-NRFANRHFSA-N 442.275 5.181 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)[C@H]3CC=CC[C@H]3c3nc4ccccc4s3)CC2)cc1 505123350 FOLLJTDFFYFHPM-YADHBBJMSA-N 443.572 5.288 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1 508444582 WYIZUECEICZJKU-UHFFFAOYSA-N 447.494 5.642 30 20 IKED CN(C)Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)oc2ccccc12 509651148 LMOZBVXUAUBQBA-OAQYLSRUSA-N 443.934 6.056 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 509948232 ZAEXLZVLEZKPGR-WIYYLYMNSA-N 443.469 5.138 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(NC(=O)NC(C)C)c1 510244540 UBMCOTMLBYECLJ-UHFFFAOYSA-N 428.492 5.441 30 20 IKED CN(Cc1ccc(Br)s1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 510652012 UYYJUAIBLDNECC-UHFFFAOYSA-N 442.338 5.838 30 20 IKED COc1ccc(OCCN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 510857326 PSYPSJBTMGKIIX-UHFFFAOYSA-N 431.492 5.210 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc1 511355194 LRELXDZOEMGTPT-RUZDIDTESA-N 445.950 6.354 30 20 IKED CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 512132729 SHBPNDLUMFECNJ-XMSQKQJNSA-N 449.620 5.245 30 20 IKED N#C[C@H](C(=O)c1ccccc1OCc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cn1 513213610 HEJBNPFRRGNHLL-SFHVURJKSA-N 430.813 5.823 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1ccccc1N(C)C 515327944 HOAGQLVLOONJKO-UHFFFAOYSA-N 428.536 5.176 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)c1 516206282 FUBNWOXSDVUEJM-UHFFFAOYSA-N 445.482 5.099 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1 516270330 SESNRAROVAZEPR-FQEVSTJZSA-N 443.915 5.890 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 517814931 IAHYHXUXIJKRAZ-UHFFFAOYSA-N 425.532 5.133 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1 522398589 CYRBFPSLOAKVDV-HSZRJFAPSA-N 449.526 5.785 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 522653995 CZTIVXLMYHYVRG-JKSUJKDBSA-N 446.523 5.083 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2nnc(SCc3ccccc3)s2)c1 523228777 YQHCQXTYBTWSKH-UHFFFAOYSA-N 448.529 5.126 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1 535655781 QLKOJXLFMJNEIJ-AREMUKBSSA-N 437.543 5.036 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(COc2cccc(F)c2C#N)cs1 535892784 OEFWECGRPJAAPW-UHFFFAOYSA-N 435.402 5.436 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCO[C@@H]3c3ccc(F)c(F)c3)cc2)cc1 537245849 APJVMZDZSDJBSE-XZOQPEGZSA-N 435.430 5.280 30 20 IKED COc1ccc([C@H](NC2CCN(Cc3ccc(C#N)cc3)CC2)c2ccc(F)cc2)cc1 537307772 QZDAOWFSLAWQJI-HHHXNRCGSA-N 429.539 5.050 30 20 IKED COc1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1OCc1ccc2ccccc2n1 538516822 SEGLEYRATFGARL-UHFFFAOYSA-N 449.510 5.630 30 20 IKED CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccccc1Oc1ccccc1C#N 538663176 XCNCKEMFVAHEME-UHFFFAOYSA-N 427.504 5.068 30 20 IKED COCCC[C@@H](C)C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 541226898 DODOTKVTLONECQ-RNCFNFMXSA-N 439.318 5.507 30 20 IKED Cc1cc(N(CCC#N)C(=O)CN[C@@H](C)c2nc(-c3ccccc3)cs2)ccc1Cl 541661168 RDIASKKJGMALDC-KRWDZBQOSA-N 438.984 5.369 30 20 IKED CC(C)Cn1cc(NC(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)c(C(F)F)n1 542380623 OULFCRMKJIBFGI-AWEZNQCLSA-N 426.336 5.180 30 20 IKED N#CCC[C@H](NC(=O)N1CCC(c2cccc(Br)c2)CC1)c1ccccc1 543069199 IPRSWHORMSBOKP-NRFANRHFSA-N 426.358 5.383 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)Nc2ccccc2CCC(F)(F)F)n1 543890928 RMNAEUVOOCXBMB-UHFFFAOYSA-N 433.821 5.536 30 20 IKED COc1ccc([C@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)cc1 555184455 PNBXIONGBLNFRL-RUZDIDTESA-N 435.531 5.215 30 20 IKED C=C(C)Cn1c(-c2cc(Cl)ccc2Cl)nnc1N(C)Cc1ccc([S@](C)=O)cc1 555290394 FFUSUFOSGHWLFT-LJAQVGFWSA-N 449.407 5.202 30 20 IKED C[C@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1nc(Cc2ccc(Cl)cc2)no1 563488250 MOBCBEUECJAURT-HNNXBMFYSA-N 431.883 5.546 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(CN[C@H](CCCC#N)c2ccccc2)cs1 573869707 XENQLLBDTKHPKD-JOCHJYFZSA-N 438.984 6.006 30 20 IKED N#CC[C@H](Cc1nc(-c2ccccc2-c2ccc(Cn3cccn3)cc2)no1)c1ccccc1 577538570 DBOUEDKDKPODOW-XMMPIXPASA-N 445.526 5.888 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(F)ccc1OCC(F)(F)F 581685150 TWDRAHXVIGVFBM-UHFFFAOYSA-N 428.430 5.154 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1nc2cc(F)ccc2s1 592974687 XAJJSKKPQDFAQD-LLVKDONJSA-N 448.376 5.269 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1OCC 592975876 WZKOXYIOZRTWCV-AWEZNQCLSA-N 432.904 5.766 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603758941 PPGBYIQLFSGOON-HSZRJFAPSA-N 445.954 5.294 30 20 IKED CC(C)(C)c1noc(CCCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1 603759145 VAGINEWPQIYYPB-LJQANCHMSA-N 436.943 5.637 30 20 IKED Cc1[nH]c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(C)c1C(=O)OC(C)C 603920908 HLAUZNDTVVPJOD-UHFFFAOYSA-N 445.519 5.094 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccc(C#N)c(Cl)c1 603947876 NDGIDWFZRKADMA-UHFFFAOYSA-N 430.316 5.740 30 20 IKED CCC(CC)C(=O)N1CCC(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 604180664 HZAYXYJWFPZXPX-UHFFFAOYSA-N 449.620 5.008 30 20 IKED C=CCOc1c(Br)cc(CN[C@H](c2ncccc2C)C(C)C)cc1OCC 604417333 YLPBDMFAUGVITG-FQEVSTJZSA-N 433.390 5.603 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)NCc3nc4cc(Cl)ccc4s3)s2)cc1 604443133 HHVBVGJJVIHLNU-UHFFFAOYSA-N 439.953 5.190 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H](C)[C@H]2c2ccc(C)cc2)cc1 606558664 MBKZQKGTNSLDMB-OFVILXPXSA-N 431.580 5.814 30 20 IKED CC(C)CN(C(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c12)c1ccc(C#N)cc1 609020139 FGQUXGMXWQQFBN-UHFFFAOYSA-N 428.492 5.781 30 20 IKED Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)C2)cc1 609177268 NQOJVCJKNXILIY-JOCHJYFZSA-N 439.515 5.150 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C3CCN(C(=O)Nc4ccccc4)CC3)cc2)c1 609430106 OHVKCEOFLBQUBY-UHFFFAOYSA-N 440.503 5.233 30 20 IKED Cc1nc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)sc1SCC#N 609727172 BLGCFOGZXMMZMW-UHFFFAOYSA-N 440.937 5.637 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccccc1)c1sccc1C 609936642 WDKGAICRORPLSA-HSZRJFAPSA-N 433.577 5.070 30 20 IKED CC(C)(C)n1cc(C(=O)Nc2cccc(OCCCC#N)c2)c(-c2ccc(F)cc2F)n1 610224733 KAAMSJNMMNMMNS-UHFFFAOYSA-N 438.478 5.518 30 20 IKED N#C[C@H](C(=O)c1ccccc1OCc1ccc(F)cc1)c1nc2ccccc2n1C(F)F 613401927 SIZVAPSEKIUKHQ-GOSISDBHSA-N 435.405 5.640 30 20 IKED CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 619429679 XMKVIULLXQWOOQ-RPBOFIJWSA-N 432.564 5.050 30 20 IKED C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 669815376 LYPDIRAQJXSRPM-MSOLQXFVSA-N 447.514 5.268 30 20 IKED C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674459165 HMDNJWHIVSLWQC-KPXOXKRLSA-N 447.301 5.489 30 20 IKED C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@H]1c1ccc(O)cc1 685551749 LONZHONBBIQHOY-MBSDFSHPSA-N 434.540 5.050 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CCC(c3c(C)[nH]c4ccccc34)CC2)c1=S 725771109 OYGIOBSQUOVVKB-UHFFFAOYSA-N 444.608 5.289 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C=Nn1cnnc1-c1ccccc1 725855962 JWTTVIKYLPFLAW-UHFFFAOYSA-N 445.741 5.341 30 20 IKED COc1ccc(/C=C2/SC(=S)N([C@H](C)c3cccs3)C2=O)cc1OCCCC#N 726630083 SOCANYXRTISABV-NFECSFHCSA-N 444.603 5.402 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(N3CCOCC3)c(F)c2)cc1 728029407 SBIACNJVWLFEFM-UHFFFAOYSA-N 447.535 5.079 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(OCC(C)C)cc2)cs1 728156625 GJHLHHVGCKQSOH-NTEUORMPSA-N 434.561 6.067 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCc1ccc(F)cc1C#N 728624363 BTPCSKKJSJOFQL-ZDUSSCGKSA-N 430.888 5.371 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccccc1 729314732 RPDDRDBNTZVRDD-QHCPKHFHSA-N 433.552 5.095 30 20 IKED C[C@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1csc2ccccc12 729958830 DSPGDPDWVJHTJD-HNNXBMFYSA-N 446.532 5.115 30 20 IKED CN(C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)C1CCCCCCC1 731129797 PGGQGVBDRBNYHM-UHFFFAOYSA-N 441.519 5.221 30 20 IKED Cc1nc(-c2ccc3ccccc3c2)n(CC(=O)N(CCC#N)c2cccc(Cl)c2)n1 731936773 DNIPAXREIRGIEB-UHFFFAOYSA-N 429.911 5.007 30 20 IKED CCCC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1cccc([N+](=O)[O-])c1 733079615 GCRBPLKLUGNREX-UHFFFAOYSA-N 430.390 5.082 30 20 IKED N#C[C@H](C(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1)c1nc2ccccc2o1 733681091 OOBJOAODXKQVAY-VVZHRXSXSA-N 449.510 5.184 30 20 IKED Cc1nc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)sc1SCC#N 740780033 BLWLYTYHZAJMAM-UHFFFAOYSA-N 438.962 5.320 30 20 IKED C#CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)cc1 741541037 SAVHZFWQKFHHGE-UHFFFAOYSA-N 438.405 5.222 30 20 IKED N#CCSc1ccccc1C(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 742114131 BEVMLDADZHLPGR-UHFFFAOYSA-N 443.450 5.438 30 20 IKED COc1ccc(COC(=O)CSCc2ccc(C#N)cc2)cc1SC(F)(F)F 744766557 QUAJNSPUPXGCGR-UHFFFAOYSA-N 427.469 5.155 30 20 IKED C[C@H](CC(=O)c1ccccc1F)C(=O)OCCC(C#N)(c1ccccc1)c1ccccc1 745490516 RCWJHIGWVHGZQG-HXUWFJFHSA-N 429.491 5.478 30 20 IKED CCc1ccc(OCc2nn(CN(C)C[C@@H](C)C#N)c(=S)n2[C@@H](C)c2ccccc2)cc1 746705839 CCTRCAQWTJOQQX-PMACEKPBSA-N 449.624 5.214 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 747108813 TUUTZCTVVANNHH-WCQYABFASA-N 439.726 5.415 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2cccc3c2N(C(=O)OC(C)(C)C)CC3)S1 757527363 PRVMIMLAOVRNKG-XMHGGMMESA-N 449.576 5.493 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2oc(C)nc2C)[n+]2ccc(C(CC)CC)cc2)c1 764433716 WXHKFUMGVWBGCA-UHFFFAOYSA-O 446.596 5.787 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN(CC)Cc2ccc(C(F)(F)F)cc2)c1=S 764940472 QRUGHCIRPLAMRR-UHFFFAOYSA-N 433.503 5.160 30 20 IKED CC(C)(C)OC(=O)N1CCC(CCC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)CC1 765939605 SMDVDESAFSTSFT-MRXNPFEDSA-N 431.533 5.039 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)N[C@@](C)(C#N)C(C)(C)C)cs2)cc1 766583597 NWIIFQIVVNMJJI-QHCPKHFHSA-N 442.585 5.139 30 20 IKED Cc1noc(COc2ccc(NCc3cccc(OCc4ccccc4C#N)c3)cc2)n1 770570729 AHHIRRNBZAUNFA-UHFFFAOYSA-N 426.476 5.020 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2cnn(-c3cc(C)ccc3C)c2C)ccc1OC 772987443 VQIPBPVYORFIBE-UGKGYDQZSA-N 432.568 5.338 30 20 IKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CC=C(c3ccc(Cl)nc3)CC2)c1=S 773250793 FOTZYNGYVYEPIX-UHFFFAOYSA-N 441.963 5.201 30 20 IKED C=CCNC(=O)c1ccccc1NCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 776208012 NJSPTYJROZUJHQ-UHFFFAOYSA-N 447.149 5.267 30 20 IKED CC(C)([C@@H](NCc1cc(Cl)ccc1OCC#N)c1ccc(F)c(F)c1)N1CCCC1 776451489 QVXHFHJKXYXFFU-QFIPXVFZSA-N 433.930 5.226 30 20 IKED N#Cc1cccc(COc2ccc(NCc3cnc([C@@H]4CCCO4)s3)cc2Cl)c1 779595799 NVNIOIXKEYHRGU-NRFANRHFSA-N 425.941 5.711 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)n1 780402235 JFRRDWZDAPYJRC-OAQYLSRUSA-N 444.535 5.677 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)c1C#N 782226866 CAUOAXGVUSKQPT-UHFFFAOYSA-N 449.536 5.065 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1=S 784027346 TYHTUTUMCRSOPS-QGZVFWFLSA-N 445.514 5.128 30 20 IKED C#CC[C@H](OC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1)C1CC1 784890579 WQGYXWXYKMCNSG-IBGZPJMESA-N 426.538 5.040 30 20 IKED N#Cc1cnc2c(c1)CC/C(=C\c1cccc(NC(=O)c3ccc(Cl)cc3Cl)c1)C2=O 788357122 ZCOBOUQXCWVUNZ-CAOOACKPSA-N 448.309 5.725 30 20 IKED O=C(Nc1cccc(/C=C2/COc3ccc([N+](=O)[O-])cc3C2=O)c1)c1ccccc1Cl 788360237 UZSKUWPERXZPSU-GDNBJRDFSA-N 434.835 5.159 30 20 IKED N#C[C@H](C(=O)CCOCC(F)(F)C(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1 791773456 LSKCOXXHGZIOAZ-GFCCVEGCSA-N 438.805 5.244 30 20 IKED Sc1nnc(-c2cccc(Br)c2)n1N=Cc1ncc(-c2ccccc2)s1 811635768 KWAAEXJKYMKGCS-UHFFFAOYSA-N 442.367 5.002 30 20 IKED N#C[C@@H](C(=O)[C@H](c1c(F)cccc1Cl)N1CCCCC1)c1cc(C(F)(F)F)ccn1 813215252 VEECXECQIBRSPR-KUHUBIRLSA-N 439.840 5.296 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 906806903 DXVRDNGIJJEFTG-UHFFFAOYSA-N 425.554 5.417 30 20 IKED Cc1cccc(-c2nnc(SCC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)o2)c1 914529170 SJRDDDXSSVWKAG-QGZVFWFLSA-N 432.530 5.137 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 916953755 DQEHEEPTJCSWCN-IERDGZPVSA-N 443.551 5.364 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(C3CCCCC3)cc2)cs1 917562038 UEDPBLSMZJRNJS-DTQAZKPQSA-N 448.563 6.911 30 20 IKED CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(Cl)s2)cc1 917613059 KCPXZGDCLZLHNH-UHFFFAOYSA-O 441.001 5.836 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc4c(O)nc(S)nc4c3)cc2Cl)cc1 918381902 HQDCLLRNOWEUQX-UHFFFAOYSA-N 448.891 5.194 30 20 IKED CC(C)N(C)c1ccc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F 919653459 ZWRGJMAXZIGVBJ-VXGBXAGGSA-N 429.380 5.265 30 20 IKED N#C[C@@H](C(=O)C1(c2ccc(F)cc2)CCOCC1)c1nc(-c2ccc(Cl)cc2)cs1 920109562 ICIHLDVCLDWKEC-IBGZPJMESA-N 440.927 5.527 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)CSc3ccncc3)cc2)CCC1 1786765308 DJJIISUYNVEFSF-UHFFFAOYSA-N 437.609 5.300 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CNc4ccccc43)CCC2)cc1 1789451538 LHYXVJKUSJYJEK-FYYLOGMGSA-N 429.564 5.098 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cccc4ccccc34)CC2)C1 1805455286 VAIXNNMDXNIALV-UHFFFAOYSA-N 430.592 5.453 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)CC2)C1 1823700150 HFZKWXLZYSXDBW-KMDXXIMOSA-N 441.015 5.029 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccccc2Cl)CC1 1826470623 FZTNHWUDMNHNTF-DEOSSOPVSA-N 443.031 5.271 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)CC1 1828045206 ZJSCFPASMXCQRC-UKILVPOCSA-N 433.596 5.170 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3[nH]c(C)cc3c2)CC1 1829068900 WPXQTUNSEGTRQF-VWLOTQADSA-N 449.639 5.702 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(N(C)C)cc2)c(C)c1 10168763 UPQFZRNNXMSWEV-UHFFFAOYSA-O 432.613 5.325 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10759246 NCRNKDYOVSIQFJ-UHFFFAOYSA-O 449.905 5.658 30 20 IKED C=CCNc1nnc(S[C@@H](C(=O)Nc2ccccc2OCC)c2ccccc2)s1 15128641 HZFSLZLXEDZJIV-GOSISDBHSA-N 426.567 5.007 30 20 IKED C[C@H](OC(=O)c1sc2ccccc2c1Cl)C(=O)N(CCC#N)c1ccc(F)cc1 22926448 MCOPIXAAXPYXKV-ZDUSSCGKSA-N 430.888 5.186 30 20 IKED C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(NC(=O)C2CC2)cc1 60973424 FVHIDLFNEIPDAD-IBGZPJMESA-N 425.532 5.337 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1 62915797 UJZHQAQAFPUVGB-DEOSSOPVSA-N 434.971 5.100 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(OCc2ccccc2Cl)cc1 72005314 CWMMXDRZAYZYNE-UHFFFAOYSA-N 436.943 5.217 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ccccc2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 301757134 BMDUSHUUADDDOQ-IBGZPJMESA-N 425.513 5.433 30 20 IKED Cc1csc(Sc2ccc(NC(=O)CCc3c(C)nc(O)c(C#N)c3C)c(C)c2)n1 303140716 QZVIAXZXDMBQAS-UHFFFAOYSA-N 438.578 5.072 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(Br)cc3Cl)cc2)c1 303222057 VBYTXVQMNWRZBB-UHFFFAOYSA-N 441.712 5.805 30 20 IKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(CCC#N)CC(C)(C)C)cc12 303279785 UDVUDJNVSRYGNL-UHFFFAOYSA-N 428.989 5.510 30 20 IKED C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 303538615 SUYPSRXTULTOBS-CQSZACIVSA-N 437.858 5.009 30 20 IKED CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C 429183710 PIUALNWEBQUSRA-UHFFFAOYSA-N 448.567 5.026 30 20 IKED Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3csc(-c4ccc(Cl)cc4Cl)n3)nc12 429594928 SPZRTLLQIWMEBZ-GFCCVEGCSA-N 428.304 5.187 30 20 IKED Cc1c(C#N)cccc1NC(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 431699693 WVIAWYLFAMHITA-KRWDZBQOSA-N 430.483 5.070 30 20 IKED Cc1ccc(C2=NN(C(=O)CN[C@@H](CCCC#N)c3ccccc3)[C@H](c3ccco3)C2)cc1 433015142 VSSSDCOLKGHFTP-ZCYQVOJMSA-N 440.547 5.291 30 20 IKED COc1ccc([C@@H](CNC(=O)[C@H](C#N)CCc2ccccc2)c2c[nH]c3ccccc23)cc1 433225206 AIOURKXNBMPPQF-WIOPSUGQSA-N 437.543 5.197 30 20 IKED N#CCC[C@@H](NC(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1)c1ccccc1 433668407 BVKPONFDHMAKGU-GOSISDBHSA-N 442.306 5.742 30 20 IKED COc1ccc(C(=O)CCC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1F 434010551 HLUHXKLXEBKCOX-UHFFFAOYSA-N 448.469 5.350 30 20 IKED COc1cccc(Oc2ncccc2CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1 438637538 PFRAQSCEZAGAPT-UHFFFAOYSA-N 442.397 5.095 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 439511032 IKHSDXPLFUAMEP-MRXNPFEDSA-N 431.964 6.227 30 20 IKED CC(C)(C)Nc1ccccc1NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 439831760 KDZSDBBOTPEPLT-UHFFFAOYSA-N 428.492 5.138 30 20 IKED COc1ccc([C@@H](NC(=O)NCC2CCC(C#N)CC2)c2ccc(C(F)(F)F)cc2)cc1 440996845 CRQZDEZIXJUNCR-XWTGJVNOSA-N 445.485 5.433 30 20 IKED N#Cc1cc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)ccc1OC(F)(F)F 441517703 RBEPGYFVNQPYHG-UHFFFAOYSA-N 431.395 5.023 30 20 IKED C=CCC[C@H](NC(=O)c1ccc(CSc2nc[nH]n2)cc1)c1ccc(C(F)(F)F)cc1 441537492 BFIVVPWYEWDCRT-IBGZPJMESA-N 446.498 5.553 30 20 IKED N#Cc1cc(NC(=O)C(=O)Nc2cccc(Oc3cccc(C(F)(F)F)c3)c2)ccc1F 441669649 UFRILZSSVALWQM-UHFFFAOYSA-N 443.356 5.086 30 20 IKED Cc1cc(-c2noc(CN[C@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)n2)ccc1F 444742672 JSAGUWDGORHKAN-MRXNPFEDSA-N 447.354 5.986 30 20 IKED COCCc1cc(O)ccc1NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 444846123 GXBLZEKIOPNZPX-OAQYLSRUSA-N 435.911 5.534 30 20 IKED COCCN(C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1ccc(C#N)cc1 445825455 RWYTZAQTIAHLEF-UHFFFAOYSA-N 430.382 5.010 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 446267431 RRCCYPZCLHEQRX-IFMALSPDSA-N 433.379 5.967 30 20 IKED O=C(N[C@H](c1cc(F)ccc1F)C(F)F)c1ccc(Br)cc1C(F)(F)F 448456845 NJNIGTKECWJJEJ-CYBMUJFWSA-N 444.144 5.482 30 20 IKED CCN(C(=O)[C@H](C)c1cccc(C#N)c1)[C@H](c1ccc(Br)cc1)c1cccnc1 463818641 PYDNOVMLIHSGRX-UZUQRXQVSA-N 448.364 5.457 30 20 IKED C[C@@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(F)cc1F 466431734 QYRSKNKAZHIYAD-KRWDZBQOSA-N 435.474 5.535 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H](CC(C)C)c1ccccc1OCC(C)C 470249149 VLRLQAKSCJUTBL-HSZRJFAPSA-N 437.584 5.147 30 20 IKED Cc1cccc([C@H](NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C(C)(C)C)c1 470534087 XVLAOGDPGCSJDY-DEOSSOPVSA-N 432.568 5.487 30 20 IKED C[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(C(F)(F)F)cc1 470554871 DMJWNGAZDSDHMK-OAHLLOKOSA-N 444.457 5.171 30 20 IKED COc1ccc2c(c1)CN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@H](c1ccccc1)C2 470605721 JTLOVOQXINVRKD-VWLOTQADSA-N 425.532 5.828 30 20 IKED C[C@@H](NC(=O)N[C@H](C)c1ccc(Br)cn1)c1ccc(-c2cccc(C#N)c2)cc1 474661256 NPJPFVDAVMDEKI-HZPDHXFCSA-N 449.352 5.504 30 20 IKED C[S@](=O)Cc1cc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)ccc1Cl 479635364 LCVMZXBUUHJBEE-LJAQVGFWSA-N 440.977 5.494 30 20 IKED Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 479692599 WBTNMNPDNXMFRV-UHFFFAOYSA-N 441.516 5.191 30 20 IKED Cn1cnnc1Sc1ccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1 480551659 HZCCFGWYIPMZPD-UHFFFAOYSA-N 443.557 5.241 30 20 IKED CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 480648310 NEKMQASYLPRJQA-UHFFFAOYSA-N 433.489 5.410 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1 487840175 KWNUZXIWHSBCJI-UHFFFAOYSA-N 449.379 5.015 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2ccc(C(F)(F)F)nn2)n(C2CCCCC2)c1C 488753945 NOAXNDKVSIVXHP-UHFFFAOYSA-N 437.491 5.021 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCOC3(CCCCC3)C2)cc1 494236176 BKUCRAXEVPKMEN-QFIPXVFZSA-N 433.552 5.335 30 20 IKED COc1cc(CNCc2ccc(C#N)cc2)cc(Br)c1OCc1ccccc1 498370828 ACACZADZMRNQNI-UHFFFAOYSA-N 437.337 5.198 30 20 IKED CCCn1ccc2cc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)ccc21 499929971 LUXSFYKSUPCYRK-UHFFFAOYSA-N 425.536 5.698 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 501618048 VOLAZEBEZYAUPU-UHFFFAOYSA-N 431.989 5.122 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 503220219 AMJOMCAXBQMXFH-UHFFFAOYSA-N 427.464 5.302 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccccc3C)n2)o1 504554569 KWBSBMITBSWXRK-UHFFFAOYSA-N 431.439 5.580 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)o1 505546149 CGDDFOHJIGCZCJ-KRWDZBQOSA-N 426.259 5.032 30 20 IKED N#C[C@@H](NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1ccc(Cl)c(Cl)c1 505948416 OVMKCXSWSSXLJI-MRXNPFEDSA-N 441.274 5.103 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCO[C@H](c2cccs2)C1 508466724 VTMNWLOANMQBCG-GCJKJVERSA-N 446.576 5.397 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)c1nc(O)c2c3c(sc2n1)C[C@@H](C)CC3 512512745 ZKIPCUCYTAMFAT-DLBZAZTESA-N 439.629 5.438 30 20 IKED C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cc(F)ccc1Oc1ccc(C)cc1OC 513024101 PCQUSKRFIYIRKZ-UHFFFAOYSA-N 448.494 5.088 30 20 IKED C[C@@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)C(=O)N1CCC[C@@H]1c1cccs1 514962397 NARPBJSHDNOWQG-DNVCBOLYSA-N 449.601 5.608 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Sc1nc2c(c(-c3ccco3)c1C#N)CCC2 515163277 LAJKTXGKIFKIIF-KRWDZBQOSA-N 445.588 6.253 30 20 IKED Cc1ccc(CN(CCc2ccccc2)C(=O)Nc2ccccc2SC[C@H](C)C#N)s1 519451385 CELSNLLAJSQHRH-LJQANCHMSA-N 449.645 6.585 30 20 IKED COC(C)(C)c1nc(C)c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)s1 519676498 ZXPBKWIXZZUFPK-LLVKDONJSA-N 433.505 5.225 30 20 IKED COc1ccc(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(OC)c1 520183006 BBPVEQMUABZBNK-JOCHJYFZSA-N 449.938 5.377 30 20 IKED COc1ccccc1-c1csc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)n1 520321793 IXKJQDLMKKTOGZ-UHFFFAOYSA-N 428.473 5.130 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccccc3CN3CCSCC3)cc2)cc1 520326650 DMQZYMGVTCQGLZ-UHFFFAOYSA-N 443.572 5.346 30 20 IKED C=CCN(Cc1cccs1)C(=O)c1ccc(OCc2cc(C)no2)c(Br)c1 520687350 IKJQCEUZTQTSAU-UHFFFAOYSA-N 447.354 5.214 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 520856894 WFMDXOKAVGZYGJ-QFIPXVFZSA-N 425.454 5.475 30 20 IKED C=CCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)Cc1cccc(C#N)c1 521714607 OESLXDBSNMZMOX-OAQYLSRUSA-N 446.601 5.047 30 20 IKED C=CCOc1ccccc1CNC(=O)Cc1csc(-c2cc(Br)cs2)n1 521965564 QGWXRVHKCCUASH-UHFFFAOYSA-N 449.395 5.058 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1 523403065 OWDMTEXMNYUHQZ-LJQANCHMSA-N 446.453 5.364 30 20 IKED CCCN(C(=O)[C@@H](C)Oc1ccccc1C#N)[C@H](c1cccnc1)c1ccc(F)cc1F 525350965 ARRQVTCYUIWLRG-MZNJEOGPSA-N 435.474 5.027 30 20 IKED CC(C)(C)CC(=O)Nc1ccc(CC(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc1 525576185 QSMUMYDHLMPEOS-SFHVURJKSA-N 432.351 5.292 30 20 IKED Cc1c(-c2ccccc2)sc(NC(=O)Cc2cccc(C#N)c2)c1C(=O)N1CCCCC1 531390471 IUGNDMUNLWAMBQ-UHFFFAOYSA-N 443.572 5.403 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(NC(=O)c2ccccc2)c1 533172319 NGJBDLUMGQVZIY-GOSISDBHSA-N 444.560 5.512 30 20 IKED CC(C)(C)Oc1c(F)cc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1F 541101570 ZCYWVGBUCCQIJB-UHFFFAOYSA-N 429.467 5.089 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)cc1 542672224 XCBRRHWNLAAUJS-VGOFRKELSA-N 428.492 5.369 30 20 IKED CC[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1nc(C(F)(F)F)cs1 544454423 HJJJNTKMPZQCCR-ZDUSSCGKSA-N 442.532 5.043 30 20 IKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)N1CCC(C#N)(c2ccccn2)CC1 548795483 DEOBTNWFIJOGJA-NRFANRHFSA-N 440.547 5.619 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 549292003 OEJGTQDIVKMNFF-XGHQBKJUSA-N 442.560 5.161 30 20 IKED Cc1c(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)sc2ccc(C#N)cc12 550782609 ODVYZSGJCXLVHF-UHFFFAOYSA-N 437.952 5.613 30 20 IKED O=C(NCC1CC(F)(F)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 552676402 VKFFBNVNEKBICG-CVWDYBRWSA-N 433.383 5.270 30 20 IKED COCc1ncc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)s1 556875212 UCOCCLBQQPCIBP-UHFFFAOYSA-N 433.411 5.225 30 20 IKED N#Cc1cc(-c2nc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)no2)cnc1C(F)(F)F 559950473 BUWAADFKUFPEAL-UHFFFAOYSA-N 432.365 5.232 30 20 IKED N#C[C@H](C(=O)c1ccccc1Oc1ccncc1)c1nc(-c2ccc(Cl)cc2)cs1 560985452 DGUABSYFMMPCPY-LJQANCHMSA-N 431.904 6.141 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NCCc3csc(-c4ccccc4)n3)cc2)ccn1 562108239 CGPGEZNCBVHDOS-UHFFFAOYSA-N 441.516 5.233 30 20 IKED COc1cccc(C2=CCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)CC2)c1 577149482 FHEBLIOSMDXBHJ-UHFFFAOYSA-N 426.476 5.075 30 20 IKED CCO[C@H](c1noc(-c2ccc(C(F)(F)F)nc2C)n1)c1ccc(F)cc1C(F)(F)F 580126894 PMNUJMQJEJBMPA-HNNXBMFYSA-N 449.326 5.743 30 20 IKED N#Cc1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)nc2ccccc12 584196802 JCCFUVOAWNEQAH-UHFFFAOYSA-N 441.800 5.217 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 585746931 VWNHZGBRUMDICE-FCHUYYIVSA-N 443.469 5.031 30 20 IKED N#Cc1ccc(OCc2nnc(N3CCC[C@@H]3c3ccccc3)n2Cc2ccccc2)cc1 589638600 AHLIVOJPRVCULK-RUZDIDTESA-N 435.531 5.119 30 20 IKED N#Cc1c(NC(=O)c2ccc(N3CCCCCC3)nc2)sc2c1-c1ccccc1CC2 603992308 OUJCNNQPFNPUBK-UHFFFAOYSA-N 428.561 5.413 30 20 IKED N#C[C@@H](Cc1ccccc1)Sc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 604008043 HAZJMIHBOHIYGH-HXUWFJFHSA-N 430.964 5.874 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 604490879 RUXXOKHOAMTSFK-UHFFFAOYSA-N 435.531 5.104 30 20 IKED COc1ccc2c(c1)OC[C@H](C(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)C2 604510930 PSUOWDJURZWZHD-XMSQKQJNSA-N 432.907 5.194 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(F)ccc4n3C)cc2C)cc1OC 606425292 LBCHYNCLQOOFOX-UHFFFAOYSA-N 445.494 5.514 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 609031792 MFSSDQKMCWEARA-ZWKOTPCHSA-N 438.314 6.103 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)cc2Cl)c1 609072586 AGOBQHZCMVNZGI-UHFFFAOYSA-N 446.850 5.432 30 20 IKED CCC(CC)CN(CCC#N)C(=O)Cc1csc(-c2cccc(Br)c2)n1 609186926 FOTCHEATRWGAFX-UHFFFAOYSA-N 434.403 5.294 30 20 IKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cc3coc(-c4cccs4)n3)c2C#N)C1 609261248 GALICYJFFZQTKO-ZDUSSCGKSA-N 425.579 5.668 30 20 IKED COc1cc(-c2noc(/C=C/c3cn(CCC#N)c4ccccc34)n2)cc(Cl)c1OC 609475108 QTMCIFCNWWEMSH-CMDGGOBGSA-N 434.883 5.446 30 20 IKED CN(Cc1nc2ccccc2n1C)C(=O)c1ccccc1SCc1ccc(C#N)cc1 609532958 RRXJOHLXVSBWRX-UHFFFAOYSA-N 426.545 5.009 30 20 IKED C[C@H](c1ccccc1)N1CCC(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 609712583 UDORIRIRQYIAFV-HXUWFJFHSA-N 440.547 5.698 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCCCc1ccc(Br)cc1F 609717190 JFABGOTXOHHBIG-UHFFFAOYSA-N 432.337 5.013 30 20 IKED N#Cc1cc(NC(=O)c2ccc3nc(O)oc3c2)ccc1Oc1ccc(C(F)(F)F)cc1 610296185 VJWWTCUHNZMYSW-UHFFFAOYSA-N 439.349 5.468 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(OC)c1C 613346494 KXOSUENNUWRJHZ-OAHLLOKOSA-N 447.343 5.933 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccccc3NCc3ccccc3)ccc21 615884303 KCTJBTXWMRHRQO-UHFFFAOYSA-N 438.531 5.134 30 20 IKED C=CCOc1c(Br)cc(CN[C@H]2CCc3cc(C#N)ccc32)cc1OCC 618742988 ULTLZFYEJADALS-FQEVSTJZSA-N 427.342 5.061 30 20 IKED N#CCc1cccc(S(=O)(=O)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c1 619462024 RBGMXLSRSJTMEZ-UHFFFAOYSA-N 434.304 5.048 30 20 IKED C[C@@]1(C#N)CCCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2cccs2)C1 619854380 KKOGRYRRMBBPRK-NRFANRHFSA-N 444.029 5.464 30 20 IKED C=CCN(C(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1nc(-c2ccccc2)cs1 620380359 FTCGQWZTGFENBC-UHFFFAOYSA-N 449.576 5.758 30 20 IKED C=C(C)Cn1c(COc2ccccc2Cc2ccccc2)nnc1N1CCC(OCC)CC1 670199600 SQWZBDKYJAVHHU-UHFFFAOYSA-N 446.595 5.029 30 20 IKED Cc1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)sc1-c1ccc(F)cc1 674446307 IPRBNCXNALGWHP-CHWSQXEVSA-N 425.369 5.675 30 20 IKED Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 726081216 OBHSAQNQOXNKPE-UHFFFAOYSA-N 426.561 5.251 30 20 IKED N#CCOc1cccc(/C=C2/SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)c1 726626927 IJGJBNFIJRLPKZ-GZTJUZNOSA-N 434.464 5.009 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cc(F)c(Cl)nc3Cl)c2)cc1 728815204 SYKVLAWJYMDPNL-UHFFFAOYSA-N 430.266 5.425 30 20 IKED COc1cccc(C(=O)/C(=C\c2ccc(OC)c(OCc3ccccc3)c2)c2ncc[nH]2)c1 729240128 BMEDCJQCFHFVEO-HZHRSRAPSA-N 440.499 5.429 30 20 IKED CCN(CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)C(=O)OC(C)(C)C 729562912 GRQOHTDTSUKFPC-UHFFFAOYSA-N 438.528 5.038 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 731399937 JEAHGRAMZDNFGP-IAGOWNOFSA-N 446.617 5.238 30 20 IKED CCOc1ccc(C(C)=O)cc1CON=C(Cc1nc2ccccc2n1C)c1ccccc1 731664887 ZHTOOUJHJOLBNK-UHFFFAOYSA-N 441.531 5.338 30 20 IKED COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CSCc2ccc(C#N)cc2)cc1 731885165 LHGUTHHRVUVCFB-UHFFFAOYSA-N 445.588 5.099 30 20 IKED N#C[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)cc1F)c1ccccc1Br 733265906 BZKOFTBJTBTAGH-FQEVSTJZSA-N 427.248 5.389 30 20 IKED Cc1ccc(-c2nnc([C@H](C)OC(=O)c3cccc(COc4ccccc4C#N)c3)o2)cc1 734200401 YAMAAHYBQKDBBR-SFHVURJKSA-N 439.471 5.414 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Nc3cccc(C4SCCS4)c3)c2)s1 740433444 YYVPAMGQGALUTE-UHFFFAOYSA-N 437.615 6.087 30 20 IKED CC(=NOCc1nnc(-c2cccc(F)c2)o1)c1ccc(OCc2ccc(F)cc2)cc1 742356378 NMFBKTQAXYLCIG-UHFFFAOYSA-N 435.430 5.535 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)Cc2ccc(OCC#N)cc2)nc1-c1ccccc1 742693434 BKCWEXFLUPWUHS-JOCHJYFZSA-N 429.520 5.274 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C[C@H](c2ccc(F)cc2)O1 743092970 IYJYCIVYEHDWTI-ZYKLXPEUSA-N 429.495 5.475 30 20 IKED CC(=O)N(c1nc(/C=C2\CCc3cc(F)ccc3C2=O)cs1)c1ccc(F)cc1F 747440770 VEQTVNVNLQBCBJ-NTEUORMPSA-N 428.435 5.458 30 20 IKED C[C@H](OC(=O)CSCc1ccc(C#N)cc1)c1ccc(NC(=O)c2ccccc2)cc1 748012316 FBPZYAGDOSEFHW-SFHVURJKSA-N 430.529 5.348 30 20 IKED N#C[C@@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1cccc(Br)c1 749615246 LTFVKONTOUXTPG-QGZVFWFLSA-N 433.396 5.312 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])cc2F)c1 749979687 YOHPAKCJRKINIB-UHFFFAOYSA-N 425.803 5.090 30 20 IKED COc1cc(F)c(C(=O)/C=C/c2cccc3c2N(C(=O)OC(C)(C)C)CC3)cc1OC 760268910 CTGSRUVJBFNKDM-MDZDMXLPSA-N 427.472 5.037 30 20 IKED COc1ccccc1[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccn1 760732365 ABEQVZQMQYXMJO-SHQCIBLASA-N 448.526 5.657 30 20 IKED N#CCOc1cccc(Cc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)c1 761599332 LXORJYTVWXJCEW-UHFFFAOYSA-N 427.304 5.267 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(-c2nc(-c3ccc(N4CCOC4=O)cc3)no2)cc1 761737352 WSURRSVVADANRW-UHFFFAOYSA-N 442.406 5.163 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 764233998 FZHYGBFMRPVQLL-UHFFFAOYSA-N 429.807 5.525 30 20 IKED O=C(OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1cnc(-c2ccncc2)s1 764903405 NZNARGIDXMFGNG-UHFFFAOYSA-N 436.308 5.137 30 20 IKED N#C[C@@H](NC(=O)c1sccc1SC(F)F)c1ccc(OCc2ccccc2)cc1 768138454 WHURPPPCWLTCGX-QGZVFWFLSA-N 430.501 5.636 30 20 IKED CC[C@H](C#N)Oc1cc(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1OC 771958109 DXHCCKFQZXEWID-QGZVFWFLSA-N 446.391 5.704 30 20 IKED CC(C)Oc1ccc(NC(=O)c2ccsc2NC(=O)c2ccccc2Cl)cc1C#N 772726318 HMVYCDOTWVSQTB-UHFFFAOYSA-N 439.924 5.565 30 20 IKED Cc1cc(C[C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)n(-c2ccccc2)n1 773263531 XCUJCUYLQCANBA-CCLHPLFOSA-N 449.558 5.589 30 20 IKED Cc1cc(C#N)ccc1NC1CCC(OC(=O)[C@H](OC2CCOCC2)c2ccccc2)CC1 779236387 ZEYBGGOWFHIVNR-QGPIEZSZSA-N 448.563 5.070 30 20 IKED Cc1cc([C@@H](OC(=O)c2c(F)cc(C#N)cc2F)C(F)(F)F)ccc1Br 792779822 COAOHXDSUYRKFW-OAHLLOKOSA-N 434.158 5.368 30 20 IKED Cc1cc(CNC(=O)OC(C)(C)C)ccc1N(C(=O)C[C@H](CC#N)c1ccccc1)C1CC1 796712778 ZFPIGPJBTYXRMD-QFIPXVFZSA-N 447.579 5.603 30 20 IKED CC(C)(C(=O)OCc1ccnc(C#N)c1)c1csc(-c2c(Cl)cccc2Cl)n1 797106644 NRFIKPNKWDIWMM-UHFFFAOYSA-N 432.332 5.405 30 20 IKED C=CC[C@H](NC(=O)N(C)Cc1cccc(OC)c1OCc1ccccc1F)c1ccncc1 802171054 CWPFNUGEVIJAHL-QHCPKHFHSA-N 449.526 5.267 30 20 IKED CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccccc1 811613151 WPOADGKKSUXDNX-UHFFFAOYSA-N 444.491 5.126 30 20 IKED C=C(C)CN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)SC1=S 814292534 YTQOCEMKMVQFBA-RGVLZGJSSA-N 429.538 5.191 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2ncnc3sc4c(c23)CCCC4)cc1 830493476 YRCGFJNQAHUIEQ-MRXNPFEDSA-N 436.606 5.306 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CCCCC#N)c1nc(-c2ccc(N3CCCCC3)cc2)no1 904612207 MBOGXFOFZLSUJZ-FQEVSTJZSA-N 439.560 5.377 30 20 IKED CCc1cccc(N=C2NC(=O)[C@H](CC(=O)Nc3ccc(Oc4ccccc4)cc3)S2)c1 913098853 ILCGCUJDFKJSSA-QFIPXVFZSA-N 445.544 5.289 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CCCC2)cc1 916211732 FYJDFYUGPDPCTA-FQEVSTJZSA-N 443.519 5.176 30 20 IKED Sc1nnc(-c2ccccc2)n1N=Cc1csc(-c2cccc(Br)c2)n1 916307987 XBDIKEYNWWICTJ-UHFFFAOYSA-N 442.367 5.002 30 20 IKED N#CCOc1cccc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2cccs2)CC3)c1 916411493 YTRCUXZRKXJKNE-BMRADRMJSA-N 437.524 5.938 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(C=NNc2ccnc3cc(Cl)ccc23)cs1 917531273 GTKSXCVRUOHDKF-UHFFFAOYSA-N 439.903 5.614 30 20 IKED CCN(CC)c1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 918112809 NNDHVGQOJORDBA-UHFFFAOYSA-N 429.589 5.627 30 20 IKED CC(C)Cc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 920143541 XOBWIMVPKYYACP-JOCHJYFZSA-N 441.556 5.720 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4ccccc4C)CCOCC3)n2)cc1 920144485 SOWUWDJVMASIMG-HXUWFJFHSA-N 432.545 5.052 30 20 IKED Cc1cc(Cl)ccc1C(=O)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1 1785948975 NKIIQFFXPIZIDG-JFLMPSFJSA-N 449.938 5.108 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)ccc3OC)CCC2)cc1 1786679564 VEUSWHLBLNGSPQ-UHFFFAOYSA-N 444.984 5.016 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3c(C)nc4ccccn34)cc2)CCC1 1788923602 DNVRRFPUZNWFPM-UHFFFAOYSA-N 442.563 5.159 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cc4ccccc4o3)cc2)CCC1 1789114458 LNPBHLFJGKOVII-OUKQBFOZSA-N 427.504 5.130 30 20 IKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@]3(F)Cl)CCC2)cc1 1789509851 OERGWMWFQUIXFE-AUSIDOKSSA-N 449.042 5.096 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@H]4Sc5ccccc5[C@H]43)cc2)CCC1 1789529499 HQROGOFOLYHASL-SDHOMARFSA-N 444.600 5.202 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CS[C@@H]3CCCCO3)cc2)CCC1 1789549325 CBUZEMOZJXXHDI-JOCHJYFZSA-N 444.641 5.373 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccccc3Cl)cc2)CCC1 1790222869 PYWLDKLPRYNMLT-UHFFFAOYSA-N 426.944 5.071 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1791300798 CSIJXLCGVMARRV-KRWDZBQOSA-N 437.490 5.273 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)COc3cccc(Cl)c3)CCC2)cc1 1791726239 KGFZEQMERWVRCH-UHFFFAOYSA-N 438.955 5.047 30 20 IKED Cc1ncsc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792122565 MSMPKNBJFOYHOT-INIZCTEOSA-N 444.560 5.140 30 20 IKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)CC4CCC4)cc3)CCC2)cc1C#N 1792271721 KTJRIEYRQIMHGK-UHFFFAOYSA-N 445.563 5.283 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3ccccc3o2)[C@H]1c1cccnc1 1802495288 AQLIWNSGXNBFNZ-QPPBQGQZSA-N 445.563 5.140 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 1802495822 NCVPXPDISUASHR-JWQCQUIFSA-N 447.623 5.517 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(F)ccc3Cl)CC2)C1 1805457797 WFRWNBDQSJFWTH-UHFFFAOYSA-N 432.967 5.092 30 20 IKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C(C)(C)C)s3)[nH]n2)C1 1814394274 MEOZWSQCKUENSO-QGZVFWFLSA-N 426.586 5.041 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(OC)ccc2C)[nH]n1 1814443797 AHYQVQFIIYSFNR-OAQYLSRUSA-N 438.572 5.025 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(-c4ccccc4)cc3)n[nH]2)C1 1823288437 XORGUJHKMRNVFT-DEOSSOPVSA-N 440.547 5.349 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cnc2Cl)CC1 1826192553 UVMBKNONBNPGFR-QFIPXVFZSA-N 444.019 5.045 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3ncoc3c2)CC1 1829066848 WMACBOZXISSXAR-JOCHJYFZSA-N 437.584 5.054 30 20 IKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)CC1 1829703849 NZCWFELQXAYMCM-JOCHJYFZSA-N 440.971 5.123 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccncc2-c2ccccc2)CC1 1831375459 WWTSBIBWTFCAQZ-QFQXNSOFSA-N 445.607 5.194 30 20 IKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 1831562843 CSYQNHVUACYKMV-HVCNVCAESA-N 446.676 5.051 30 20 IKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3occc3n2-c2ccccc2)CC1 1831858150 GJRPGWWWXQDABI-QFIPXVFZSA-N 445.563 5.033 30 20 IKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(O)c2)c1C 10167828 NOXRDCGQMPSLLD-UHFFFAOYSA-O 446.379 5.654 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(C(F)(F)F)c2)[n+]2ccccc2)cc1 20860110 FYHWYVNGTYFURZ-UHFFFAOYSA-O 429.487 5.606 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)Nc1cc(C)ccc1C 22729787 RYWQEZGKFOLULI-UHFFFAOYSA-O 431.625 6.328 30 20 IKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N[C@H](C)c1ccc(C#N)cc1 26128386 XJAWTKAFDBMEIG-MRXNPFEDSA-N 425.488 5.386 30 20 IKED C=CCN(C(=O)COCC(F)(F)F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 107772763 ZFFPWKOZXDZKKU-UHFFFAOYSA-N 425.259 5.215 30 20 IKED N#CCCn1cc(CNCc2ccc(Oc3ccc(F)cc3)cc2)c(-c2ccccc2)n1 237881512 HINDKIOXURXVSF-UHFFFAOYSA-N 426.495 5.685 30 20 IKED C=CCn1c(S[C@@H](C(=O)NCc2ccccc2)c2ccccc2)nnc1-c1ccccc1 302847482 KUWYGGUORBDBIQ-HSZRJFAPSA-N 440.572 5.281 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 303313965 RTWUAZFRGYKKIH-KRWDZBQOSA-N 444.585 6.105 30 20 IKED CC1CCC(N2C[C@@H](C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)CC1 303317888 HEMZISMZAQKWOE-QWORBQNLSA-N 441.984 5.067 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)cc1 303959188 WAHDJNKGXLGSSO-UHFFFAOYSA-N 442.947 5.219 30 20 IKED N/C(=N/Cc1ccc(NC(=O)c2ccco2)cc1)Nc1cccc(Oc2ccccc2)c1 304515168 YNDAEEMCCZUPJS-UHFFFAOYSA-N 426.476 5.251 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)cc1 409581733 MLWNLMJEBZFYNC-OZXSUGGESA-N 426.516 5.035 30 20 IKED C=CCN(C(=O)CSc1ccc(C)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 409712935 ZTENNTGLCKWEMC-UHFFFAOYSA-N 425.535 5.338 30 20 IKED COc1ccc(CN2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)cc1OCCCC#N 430107265 RSIKSLGLZHLRMK-UZUQRXQVSA-N 448.485 5.359 30 20 IKED COC(=O)c1cc([C@@H](C)SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)oc1C 431076809 GZXPHEXCOPTSBL-DZGCQCFKSA-N 432.567 5.202 30 20 IKED COc1ccc2nc(N(Cc3ccccc3)C(=O)c3ncc(C#N)cc3Cl)sc2c1 431589177 JEHVXPZRZVBJPY-UHFFFAOYSA-N 434.908 5.072 30 20 IKED CCCc1c(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cnn1-c1ccc(C)cc1 432576643 WWZWTZBODFHLRU-UHFFFAOYSA-N 443.551 5.080 30 20 IKED COc1cc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc(OC)c1C 432922433 NJBTWEFRGOHJQB-UHFFFAOYSA-N 431.492 5.301 30 20 IKED CC(C)N(Cc1ccc(Cl)c(Cl)c1)Cc1cn(CCC#N)nc1-c1ccncc1 435128083 BQTOBRJLRGXPEZ-UHFFFAOYSA-N 428.367 5.576 30 20 IKED N#Cc1csc(C(=O)N[C@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)c1 437365304 PYQVCLWONDPZAE-GOSISDBHSA-N 426.423 5.034 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)N[C@@H](CCC#N)c3ccccc3)s2)cc1 438844824 YGROZLCESUYABY-KNQAVFIVSA-N 432.593 6.174 30 20 IKED C=CCn1c(SCc2coc(-c3c(F)cccc3F)n2)nnc1-c1ccc(F)cc1 443427192 HTCVFBBHVKWLQW-UHFFFAOYSA-N 428.439 5.496 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 447418586 OSVHQOGKYXPINK-QGZVFWFLSA-N 447.516 5.820 30 20 IKED N#Cc1ccc(NC(=O)c2cccnc2SCc2cccc(Br)c2)cc1C#N 460106368 PQPHSTQWJZXPAJ-UHFFFAOYSA-N 449.333 5.132 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]1c1ccc(COC)o1 460564500 XGLXZXBFWDCLEF-LJQANCHMSA-N 442.947 5.264 30 20 IKED C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1c1nc2ccccc2s1 460582646 IXHAAMBAOKPEIA-IBGZPJMESA-N 446.536 5.381 30 20 IKED N#Cc1ccccc1Oc1ccc(NCC(=O)Nc2cccc(Cl)c2Cl)cc1F 463227295 QMUFLHVOOCJQTM-UHFFFAOYSA-N 430.266 5.847 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c2cc(Br)ccc2n1 464398153 KRXPFAKSNSMLIV-HNNXBMFYSA-N 434.215 5.210 30 20 IKED CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 464949500 OAROSRJOJIICSH-FPOVZHCZSA-N 438.959 5.172 30 20 IKED C[C@@H](NC(=O)N[C@H](c1cc(F)ccc1F)c1ccccc1Cl)c1ccc(C#N)cc1 465669607 ZOISVSNKRHTWNW-PEBXRYMYSA-N 425.866 5.640 30 20 IKED N#CCSc1ccccc1NC(=O)CN[C@H](c1cccc(F)c1)c1cccc(Cl)c1 467762856 DNSFOYWHLYLKPT-QHCPKHFHSA-N 439.943 5.412 30 20 IKED CC(=O)Nc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1F 469015916 NSRAIGXNSPCGEN-UHFFFAOYSA-N 437.858 5.140 30 20 IKED Cc1c(COc2ccccc2)cccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 472859766 GICWRQPFSPRDMK-UHFFFAOYSA-N 442.563 5.041 30 20 IKED O=C(CCC(=O)c1cccc(F)c1)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 474257225 CIORMLVBKZIRHN-MRXNPFEDSA-N 435.339 5.617 30 20 IKED CC(C)(C#N)c1ccc(C(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)cc1 474906859 KTLJANADVXPGLL-UHFFFAOYSA-N 449.913 5.463 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 475553748 GLBWAPDGPUBIEG-FQEVSTJZSA-N 443.473 5.587 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 476717077 MZJXGADBWSWSQW-UHFFFAOYSA-N 437.902 5.053 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 478089471 VEFCSBYZLUASRL-UHFFFAOYSA-N 445.394 5.359 30 20 IKED C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 480282693 JQMSZWMVZHUTPX-IFXJQAMLSA-N 430.430 5.005 30 20 IKED CO[C@H](c1ccccc1Cl)[C@H](C)NCC(=O)Nc1ccccc1S[C@H](C)CC#N 481394876 XROCNUPOTOCQBJ-VVBPWWLESA-N 431.989 5.039 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1cccc2ccccc12)C(F)(F)F 482420789 XNANAGJVRHCYHT-QFIPXVFZSA-N 441.453 5.173 30 20 IKED CCCOc1cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c([N+](=O)[O-])cc1OCCC 483130467 OOYFWICCBHJTLR-UHFFFAOYSA-N 425.485 5.226 30 20 IKED C=CCN(CC1CCCCC1)C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 485330561 KGVJXIJYGLIERM-UHFFFAOYSA-N 425.495 5.142 30 20 IKED COc1ccccc1[C@H](N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccco1 489745950 WMCBCUFBHXLBEL-HJPURHCSSA-N 449.576 5.196 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3cc(C#N)ccc3Br)o2)cc1 492207872 GMEXFAYMSWUGAW-UHFFFAOYSA-N 428.311 5.228 30 20 IKED C=CCN(C(=O)c1ccc(C(F)(F)F)nc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 498627019 QKJHFILJLSUBLK-UHFFFAOYSA-N 448.426 5.273 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)c1 502585923 OSFGCBCGXBTGTC-UHFFFAOYSA-N 429.402 5.218 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Oc4ccccc4)nc3)n2)cc1 503438316 UDYFJEBATQSBAN-HXUWFJFHSA-N 427.485 5.496 30 20 IKED CC(C)(C)c1ccc(OCc2ccc(C(=O)N(CCC#N)Cc3ccccn3)cc2)cc1 505213858 SJQWKOFMKCZTRB-UHFFFAOYSA-N 427.548 5.514 30 20 IKED N#C[C@@H](NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)c1cccc(Cl)c1Cl 505343233 KBUFKPZZPSKZMR-XDMXNLHSSA-N 431.285 5.823 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCSc3ccccc32)cc1 508240935 HORPUBARWRTYRP-FQEVSTJZSA-N 431.517 5.718 30 20 IKED C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1csc([C@H](C)OCC)n1 508936400 RDKCCVHWCVEJAP-KRWDZBQOSA-N 448.596 5.178 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1 512530491 KIFASYOUPUHWIR-UHFFFAOYSA-N 438.984 5.790 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 513420792 LAVUSVZUTFEZFL-HNNXBMFYSA-N 441.409 5.195 30 20 IKED CCN(Cc1c(F)cccc1F)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 513997366 RBQCOPHHSCUGGG-UHFFFAOYSA-N 434.446 5.143 30 20 IKED CCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1OCCC 516714222 VNZXGTDWCKRPMO-HXUWFJFHSA-N 445.544 5.749 30 20 IKED Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2SC[C@H](C)C#N)c(Br)c1 517457501 XWESVBBKBYLJLY-HUUCEWRRSA-N 433.371 5.415 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(N2CCc3ccccc3C2)cc1 517461833 QHRKYUPSDFCPIM-IBGZPJMESA-N 427.573 5.753 30 20 IKED Cc1ccc(CN2CC[C@@H](CN(C)C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)C2)s1 519723614 CXLXFPDSTQDIME-NRFANRHFSA-N 445.588 5.315 30 20 IKED COCCN(CCc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 519913094 GAAVCOXDMLNWTF-DEOSSOPVSA-N 447.966 5.718 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Br)c(F)c3)n2)cc1 520076217 XORNGNPJKCMBGM-CQSZACIVSA-N 431.286 5.210 30 20 IKED CC1CCN([C@H](CNC(=O)Nc2ccccc2S[C@H](C)CC#N)c2cccs2)CC1 520197133 VVRBQQVOLISVGG-UYAOXDASSA-N 442.654 5.737 30 20 IKED CC1(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 521086342 PVVIOTMUPQHSNS-SFHVURJKSA-N 442.390 5.488 30 20 IKED CSCC[C@](C)(C#N)NC(=O)c1oc2ccccc2c1COc1ccccc1Cl 521222247 PRXIGYCJGDNLGV-JOCHJYFZSA-N 428.941 5.430 30 20 IKED CCN(Cc1ccc(Cl)cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 521841201 WMCOJTQYVRQCGG-UHFFFAOYSA-N 433.939 6.039 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N(CCc3ccccc3)Cc3ccncc3)cc2)cc1 521957610 NGSIKBRXJPEYHT-UHFFFAOYSA-N 447.538 5.825 30 20 IKED C=CCNC(=O)Nc1ccc(N[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 522276845 RSUPDPMMCZADTR-CYBMUJFWSA-N 431.418 5.236 30 20 IKED CCN(Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1)C1CC1 522487856 MWRKPXYMXPFWBV-NRFANRHFSA-N 435.980 5.938 30 20 IKED Cc1c(NC(=O)c2ccccc2Sc2ccccc2C#N)cccc1OCC(F)(F)F 524097063 XSKXZGGDFSPMKG-UHFFFAOYSA-N 442.462 6.211 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@@H](c4ccccc4)C3)cc2Cl)c1 524439144 JEDVBKWIBBLABE-OAQYLSRUSA-N 431.923 5.812 30 20 IKED CC(C)(C)CC(=O)Nc1ccc(CC(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 525014814 RHNGXUOIHYGHGY-UHFFFAOYSA-N 425.532 5.037 30 20 IKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)c1c(C#N)nnc2ccccc12 525358696 DTRBLJQYGLJMHN-UHFFFAOYSA-N 430.533 5.177 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)N[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 525761313 VSMDMDRQKBCPLI-SJLPKXTDSA-N 436.556 5.244 30 20 IKED C=CCC[C@H](NCc1csc(-c2ccc(C(N)=O)cc2)n1)c1ccc(C(F)(F)F)cc1 538230608 VAHSTSLEKOPEDS-FQEVSTJZSA-N 445.510 5.725 30 20 IKED C[C@@H](NCc1ccc(NC(=O)CCCOc2ccccc2)cc1)c1ccc(C#N)c(F)c1 538507952 NYWCATNNCHTKAK-LJQANCHMSA-N 431.511 5.346 30 20 IKED CC1(C#N)CCN(c2nnc(-c3cc(Cl)ccc3Cl)n2Cc2ccccc2)CC1 549548918 VVBKMMQGHLLQOQ-UHFFFAOYSA-N 426.351 5.430 30 20 IKED Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)Nc1cc(C#N)ccc1OC(C)C 555707622 LMDMOSJMRMFAJX-UHFFFAOYSA-N 428.414 5.315 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)Nc3ccc(C#N)cn3)cc12 558084654 HTNKQKMKUXXHEI-UHFFFAOYSA-N 442.331 5.280 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)cc2)ccn1 558510642 FBJMCIMSPHHHCB-HHHXNRCGSA-N 446.510 5.925 30 20 IKED CC(C)Cn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CCC(C)(C#N)CC1 559090675 IJYYJDYACDDMJO-UHFFFAOYSA-N 447.558 5.449 30 20 IKED N#Cc1ccc(Br)c(C[S@](=O)[C@H](c2ccccc2)c2ccc(F)cc2)c1 559231943 SCHCSZLKZQMADF-RLWLMLJZSA-N 428.326 5.498 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c(C)ccc(Br)c2C)cc1 563772870 ONNCLDJIHLGQQH-UHFFFAOYSA-N 427.342 5.132 30 20 IKED CCc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccc(Oc3ccnc(C#N)c3)cc1)CCC2 565138270 GULSEHUGLFTQBC-HXUWFJFHSA-N 433.537 5.306 30 20 IKED CSc1nc(C2CC2)cc(-c2nc(Cc3cc(Br)cs3)no2)c1C#N 568025497 GKGOAWUKMMHMGK-UHFFFAOYSA-N 433.356 5.017 30 20 IKED COc1ccc(C)cc1NC(=O)[C@H]1CCCN1Cc1ccc(-c2ccccc2C#N)cc1 572520240 BDJPHSIJYHYAOK-RUZDIDTESA-N 425.532 5.145 30 20 IKED CC1(C)CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)Cc2ccccc2O1 575781336 BGPVJWWGYPMTIE-UHFFFAOYSA-N 440.503 5.016 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(CN4C[C@H](C)O[C@@H](C)C4)cc3)n2)cc1 578685072 MACYXPHZQSPFFX-SFYKDHMMSA-N 445.588 5.218 30 20 IKED C=C(C)Cn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 581655015 JYGSBRFLUPJLRN-UHFFFAOYSA-N 445.542 5.369 30 20 IKED Cc1ccc(Oc2cc(-c3noc(-c4cnc(C(F)(F)F)c(C#N)c4)n3)ccn2)cc1C 582895614 GSPJTYSTXNCWHN-UHFFFAOYSA-N 437.381 5.493 30 20 IKED CSc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1[N+](=O)[O-] 603825429 PQTBAMMBMUTJHW-CQSZACIVSA-N 429.910 5.584 30 20 IKED COc1ccccc1[C@H]1CCCCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609282190 JEMXRSLIWPWAOM-XMMPIXPASA-N 427.504 6.118 30 20 IKED N#CCCCOc1cccc(NC(=O)CCCSc2ccc(Br)cc2)c1 609371321 SKMJDMFKPRNWJN-UHFFFAOYSA-N 433.371 5.643 30 20 IKED COc1cccc(C[C@]2(C(=O)Nc3ccccc3SC[C@@H](C)C#N)C[C@H]3CC[C@H]2C3)c1 609786275 AZZPHITVACXGFR-NSSDIGLXSA-N 434.605 5.935 30 20 IKED C[C@H](NC(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1cccc(C#N)c1 610401195 VBIJCFMVVNLJRM-SJORKVTESA-N 430.483 5.071 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(c2ccccc2)C2CCN(C)CC2)cc1 610703093 MHWDBCXFEFIHCM-UHFFFAOYSA-N 425.532 5.400 30 20 IKED N#CCC[C@@H](NC(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccccc1 610972954 SEBQLEDWXUNOLM-GOSISDBHSA-N 430.430 5.220 30 20 IKED C[C@@]1(C#N)CCCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@H](F)C(F)(F)F)(C4)C3)C1 612365861 MIRDUGOZWSWNIJ-HZJGOYBFSA-N 436.440 5.261 30 20 IKED C[C@]1(C#N)CCCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C4)C3)C1 612365878 MIRDUGOZWSWNIJ-WGLPRJKSSA-N 436.440 5.261 30 20 IKED C[C@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(OCC(F)(F)F)cc1 675737369 GGCVCHZFKRDWNK-SCUASFONSA-N 437.346 6.188 30 20 IKED C=CCOc1ccc(C(=O)Nc2c(Br)cc(F)cc2Br)cc1 679837493 NFVSMXSHVSOLIM-UHFFFAOYSA-N 429.083 5.168 30 20 IKED CCCc1c(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cnn1-c1cc(F)c(OC)cc1F 680169596 NSXMKGWFZCRAJP-MRXNPFEDSA-N 446.457 5.150 30 20 IKED CC(=O)Nc1ccc(NC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)c(C(F)(F)F)c1 683190237 UJBBEWLQVMUNMR-UHFFFAOYSA-N 426.263 5.213 30 20 IKED C=CCN(Cc1ccc(Cl)s1)Cn1nc(C)n(CCc2cccs2)c1=S 727815752 DIAKCTUMAUZQQI-UHFFFAOYSA-N 425.048 5.387 30 20 IKED C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 729319100 GUFDZYAEPKNFRX-SBUREZEXSA-N 441.918 5.449 30 20 IKED N#C[C@@H](C(=O)[C@@H](Sc1ccc(F)c(Cl)c1)c1ccccc1)c1nc2ccccc2o1 730399101 TZUJWRJRTWLQMZ-AOMKIAJQSA-N 436.895 6.330 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 731078549 QCCMBHZDODRAKP-VOQZNFBZSA-N 444.556 5.377 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 731288588 XKZHKPNWZQGJFO-XUVXKRRUSA-N 432.907 5.261 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)O[C@H](c3cccc(F)c3)c3ccccn3)cc2)nc1 732500376 MMXXRCSHNMWKIC-XMMPIXPASA-N 425.419 5.226 30 20 IKED N#C[C@H](NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1)c1ccc(Br)cc1 733253576 MWUFOZFECVGWQB-YXBWYFRISA-N 426.701 5.045 30 20 IKED C#CCN(C(=O)N[C@H](C)c1cc(C)sc1C)[C@@H]1CCOc2ccc(Br)cc21 733337840 MXJPALLNSRRVJI-AUUYWEPGSA-N 447.398 5.357 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(OCc3cccnc3)c2)cc1 733680285 YMQBIHUNCHZTHX-UUOWRZLLSA-N 427.504 5.135 30 20 IKED C[C@@H](OC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nnc(-c2ccccc2)o1 734592034 BNEABHHKOCNUFF-QGZVFWFLSA-N 425.444 5.105 30 20 IKED CC(C)c1ccc([C@H](C)CC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 739144069 VUVYNZYUMJQJGV-BEFAXECRSA-N 433.577 5.769 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc(OC)c(C#N)c1)C(=O)c1ccccc1 741849709 ZVRWGGYOPFTPQX-ULJHMMPZSA-N 438.527 5.597 30 20 IKED Cc1cccc(C2(O)CCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC2)c1C 742102552 QOCFUIDTAYYKRK-UHFFFAOYSA-N 426.516 5.091 30 20 IKED N#Cc1ccc(OCCNC(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)cc1 743108273 APIVCPAMEQMHFP-HNNXBMFYSA-N 436.364 5.045 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCCOc1cccc(Cl)c1Cl 743450104 XFXGRCKJSANGAH-KRWDZBQOSA-N 447.362 5.625 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cn(-c3ccc(Cl)cc3)nc2C)cc1 744034111 ZZSBJXIZFJQLKW-YCRPNKLZSA-N 434.927 5.309 30 20 IKED CC(C)(C)c1ncc(/C=C\C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)s1 744073917 IRHSAZYXCQYZME-MEJMFZKBSA-N 429.517 5.732 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c(Cl)c1 744370777 GOBKFIVSHBGNBM-UHFFFAOYSA-N 439.821 5.830 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2c(F)cccc2F)C2CCCC2)c1 745819538 AKQZRRWFNWTVTL-IBGZPJMESA-N 427.495 5.300 30 20 IKED Cc1ccc(-c2nn(CN(Cc3ccc(C#N)cc3)CC(C)C)c(=O)c3ccccc23)cc1 746056284 YBGGLWVDJFKXCB-UHFFFAOYSA-N 436.559 5.359 30 20 IKED COc1ccc(-c2nc(/C=C\C(=O)c3ccc(SC(F)F)c(OC)c3)cs2)cc1 746346241 MMAFRAUFBYMRGI-TWGQIWQCSA-N 433.501 6.038 30 20 IKED C=CCn1c(Cc2ccccc2)nn(CN(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1=S 747802259 CCGVGDMGBOEWBA-UKILVPOCSA-N 448.636 5.248 30 20 IKED C=CCN(C(=O)COC(=O)c1ccco1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 747819985 GAHCVLNERWEBMJ-UHFFFAOYSA-N 437.304 5.086 30 20 IKED CN(Cc1ccccc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)C(=O)OC(C)(C)C 752694804 QUKCCULOSVOBAC-GGAORHGYSA-N 448.567 5.357 30 20 IKED CC(=NNc1ncnc2sc(-c3ccccc3)cc12)c1ccc2c(c1)CCC(=O)N2C 754700632 MFSTUSSJTCIEEO-UHFFFAOYSA-N 427.533 5.103 30 20 IKED N#CCOc1ccc(CC(=O)NCc2ccccc2-c2ccc(Cl)cc2Cl)cc1 760732603 ODULQJKEBGUGBG-UHFFFAOYSA-N 425.315 5.422 30 20 IKED Cc1nc(CCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)oc1-c1ccccc1 764751760 NFODCMITZNMJRY-UHFFFAOYSA-N 445.306 5.297 30 20 IKED CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)Nc1ccccc1S[C@H](C)CC#N 766041878 OQXFZLRIKYUQIW-ZHRRBRCNSA-N 434.606 5.142 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c1 767213484 BJBMHVGAELODKF-QPPBQGQZSA-N 448.954 5.199 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCCOc3cc(Br)ccc32)ccc1OC 772977566 AXDZRHUMGOWMON-PKOBYXMFSA-N 445.357 5.142 30 20 IKED C[C@@H](NCc1ccccc1-c1ccc(CN2CCCC2)cc1)c1ccc(OCC#N)cc1 776154140 ORNWFOWVOITASP-JOCHJYFZSA-N 425.576 5.703 30 20 IKED COc1ccc([C@H](Cc2ccc(F)cc2)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1 777113495 CARFSGGILFDRAT-SANMLTNESA-N 445.538 5.063 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1oc2ccccc2c1CSc1ccccc1F 780175580 GJWWKCOYVTWDNT-INIZCTEOSA-N 446.503 6.407 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)[C@H]1CCSc2ccc(Br)cc21 780680282 DYDDQGWIPIFBHC-GUYCJALGSA-N 446.370 5.441 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/COc3c(F)ccc(F)c3C2=O)cs1 783711541 DPRNNCYMOCQTTK-ZROIWOOFSA-N 426.444 5.073 30 20 IKED CC(=O)N(C)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 786318248 WVZGHIAPXMNWDF-KRWDZBQOSA-N 444.343 5.590 30 20 IKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)C[C@@H]1C[C@@H](C(C)C)c2ccccc21 786324593 FHLOTSPYZOQIIH-DZFGPLHGSA-N 434.536 5.017 30 20 IKED Cc1sc(C(=O)[C@@H](C#N)C(=O)NCc2cccc(Cl)c2)cc1-c1ccc(F)cc1 786527619 KIHSIOXIMZRJHK-LJQANCHMSA-N 426.900 5.155 30 20 IKED CSc1cc(C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)ccc1F 787047555 CWSKEOQHGIFDSR-IINYFYTJSA-N 425.312 5.054 30 20 IKED O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1cccc(C[S@@](=O)c2ccccc2)c1 790648779 RGAKKZYIVXJGDH-SSEXGKCCSA-N 427.447 5.003 30 20 IKED O=C1COc2cc(C(=O)/C=C/c3csc(-c4ccc(C(F)(F)F)cc4)n3)ccc2N1 794731850 CWRIYGWAFNUTIA-SOFGYWHQSA-N 430.407 5.056 30 20 IKED O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)Nc1ccc(C(F)(F)C(F)(F)F)cc1 806258974 JCKNHLQXEVQVER-AWEZNQCLSA-N 442.306 5.215 30 20 IKED CC(C)(C)CCC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1cscn1 807970938 CFEJZIFOPXZALF-UHFFFAOYSA-N 434.491 5.656 30 20 IKED N#CCCC[C@@H](NCc1cc(Br)cc(Br)c1O)c1ccccc1 816627773 XMLHSPFVSQMHJJ-QGZVFWFLSA-N 438.163 5.442 30 20 IKED CC(C)c1ccccc1N=C1SCCCN1C(=O)CCc1nc(O)c2ccccc2n1 864013543 ZMFPCRIRISMQCF-UHFFFAOYSA-N 434.565 5.045 30 20 IKED COc1cc(CNC(=O)c2ccccc2Sc2ccccc2C#N)ccc1OC(C)C 914842281 JQPIMGXNDSURAQ-UHFFFAOYSA-N 432.545 5.435 30 20 IKED O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc([N+](=O)[O-])cc1 916134951 ZSNLUUQZTZJCKI-NYYWCZLTSA-N 441.270 6.050 30 20 IKED N#CCCn1cc(C=NN=C(C(=O)c2ccccc2)c2ccccc2)c(-c2ccccc2)n1 916267017 USQXDAXEBMAOOY-UHFFFAOYSA-N 431.499 5.170 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)/C=C/c3ccc(Br)o3)c2)cc1 916449661 JWRVWRVYNTZFMW-PKNBQFBNSA-N 437.293 5.339 30 20 IKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cnn1-c1cccc(Cl)c1 916931413 KINLAAMPSLVRPY-OAHLLOKOSA-N 447.709 5.102 30 20 IKED Cc1nn(C)c(Cl)c1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997154 SACMIOSILHUHEF-NSHDSACASA-N 425.728 5.302 30 20 IKED Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)C2)c1 917027082 WGVMRJRWEYDJCT-IFMALSPDSA-N 443.572 5.156 30 20 IKED COc1ccc2cc(C=Nn3c(S)nnc3-c3cccc(Br)c3)ccc2c1 917594750 IQFUSHHJQUITRE-UHFFFAOYSA-N 439.338 5.040 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1csc(-c2ccc(Cl)s2)n1 920020750 XZRNZEQPFQOCMV-UHFFFAOYSA-N 425.318 5.668 30 20 IKED CC(=O)Nc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(F)cc1F 921168948 MNFIXQMJBXPYBB-UHFFFAOYSA-N 437.471 5.339 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)cc3Cl)CCC2)cc1 1786680259 VKSHXPGEKYHRKZ-UHFFFAOYSA-N 444.984 5.016 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCc3ncccc3C)cc2)CCC1 1786798221 GMWVPASNQWEYRX-HSZRJFAPSA-N 431.580 5.225 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccco4)no3)cc2)CCC1 1788420415 JTNJRVQBSREEBT-FQEVSTJZSA-N 445.519 5.451 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C(C)(C)C)oc2C)n[nH]1 1816464805 OYYRCQYKONKKGT-FQEVSTJZSA-N 438.572 5.108 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3ccoc3c2)n[nH]1 1821453849 GSPVBUZETJCXPL-FQEVSTJZSA-N 434.540 5.454 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@]3(C)CC=CCC3)n[nH]2)c1 1822980456 HUMIDHNSNJYCHW-HYWYFEKYSA-N 445.567 5.089 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCOc2ccccc2)CC1 1826361395 QQXGEPGELBFCNL-XMMPIXPASA-N 440.628 5.068 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)cccc2F)CC1 1828831126 ZWGQEPCZNQCOMZ-FYYLOGMGSA-N 426.576 5.136 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)c2ccc(O)cc2)CC1 1829068869 VBXBMDJWTCKOGV-GBXCKJPGSA-N 440.628 5.108 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 11113218 CYTLGLGWNPJRHP-UHFFFAOYSA-O 443.564 5.902 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1)=C(/S)Nc1cccc(Cl)c1C 11256562 VZQKRJFTRYYWKD-UHFFFAOYSA-O 444.407 6.203 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)c(F)c1)=C(/S)Nc1ccc(C(C)C)cc1 11263114 PHFHXNDZWMBZIV-UHFFFAOYSA-O 439.551 5.989 30 20 IKED CC(C)c1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2cccc(O)c2)cc1 11263868 QBHRSMLRSBVNEG-UHFFFAOYSA-O 427.496 5.132 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(C(C)C)cc2)cc1 11264752 HKQIVFSNFJYYPL-UHFFFAOYSA-O 443.636 6.200 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)NCCc2ccccc2)c1 22735236 SEHXXSCFBRUZKH-UHFFFAOYSA-O 444.407 5.360 30 20 IKED CCN(C[C@@H](C)C#N)C(=O)c1cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2s1 58383997 UCGNHHXOLIUQQS-LBPRGKRZSA-N 435.380 5.383 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)cc1 61967607 MXRROAWTFKXFGD-UHFFFAOYSA-N 444.343 5.924 30 20 IKED C=CCN(CCc1ccccc1)C(=O)Nc1ccc(CC(=O)N(CC)c2ccccc2)cc1 62401847 IZHYLUXSSINVHQ-UHFFFAOYSA-N 441.575 5.545 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(Sc2ccc(Cl)cc2)cc1)c1ccc(C#N)cc1 62678525 CJXAILBIUONLOK-OAHLLOKOSA-N 435.936 5.179 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 63392116 MPEMYRLBRRMLHZ-UHFFFAOYSA-N 441.487 5.086 30 20 IKED C=CCc1cc(CNC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 65368414 YEIRPZCHMSZAMF-UHFFFAOYSA-N 445.519 5.006 30 20 IKED COc1ccc(C(=O)/C=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OC 210437774 RHRGNADDMJKHLU-WDZFZDKYSA-N 449.459 5.096 30 20 IKED COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cccc(COc3ccccc3C#N)c2)c1 303633618 ZBSLXXGQSRVWLZ-XMMPIXPASA-N 442.515 5.132 30 20 IKED CC(C)c1oc([C@@H]2CCCN2CCC(=O)Nc2sccc2C#N)nc1-c1ccccc1 427002651 QJCSFBVEVDEMTB-IBGZPJMESA-N 434.565 5.564 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1cccc(-c2ncco2)c1C 432866822 MUUKKBHMWZHWDE-UHFFFAOYSA-N 438.487 6.053 30 20 IKED C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@H](c2ccc(F)cc2)O1 438210390 FJVIESIFJHVASG-BXKMTCNYSA-N 431.467 5.484 30 20 IKED O=C(Cc1cccc(OC(F)(F)F)c1)Nc1cccc(COCC(F)(F)C(F)F)c1 438900816 XWNJBBSRAWIKHF-UHFFFAOYSA-N 439.327 5.183 30 20 IKED N#Cc1ccc(CSc2nnc(-c3ccc(Br)cc3)o2)c(OC(F)F)c1 439513138 NCARMWOSFBSCHC-UHFFFAOYSA-N 438.253 5.264 30 20 IKED CN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCSc2ccc(Br)cc21 441321857 IGTREJNBULCWJA-KRWDZBQOSA-N 441.354 5.040 30 20 IKED C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 460765971 BDKXBQFVEGBDQI-UHFFFAOYSA-N 440.551 5.008 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC2(CCOCC2)CC1 460785244 SEBQFEXKOVQCDH-OAQYLSRUSA-N 446.595 5.544 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 462267906 JSFZDLHRQFLKBM-BVAGGSTKSA-N 441.531 5.488 30 20 IKED C[C@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)Oc1ccc(F)cc1 466201087 XDWUIHNCRCARGT-GOSISDBHSA-N 433.483 5.060 30 20 IKED Cc1ccc(-c2nc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)sc2C)s1 467255409 YVWYZUMCRNGOFB-UHFFFAOYSA-N 433.562 5.518 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](C[C@H](C)O)c1ccccc1 469702615 RHLXOZIEBIWDBK-UGKGYDQZSA-N 429.520 5.335 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)ccc21 469950910 SAWYYZKDBAPHJH-QZTJIDSGSA-N 442.346 5.319 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(Cc3ccccc3)[C@@H](C)c3cccs3)C2)n1 471297602 KTUGLOKJPOKACC-REWPJTCUSA-N 444.604 5.330 30 20 IKED CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](CCCC#N)c2ccccc2)c1 487444325 IDFSSOQPFWEHKD-OAQYLSRUSA-N 425.960 5.880 30 20 IKED N#CCCC[C@H](NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1)c1ccccc1 487537967 OIMWOCTVVFZINB-QFIPXVFZSA-N 442.544 5.533 30 20 IKED C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nnc1-c1cccc(Cl)c1 489634880 OUUPILAWGOCVKX-UHFFFAOYSA-N 444.347 5.040 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(OCc3ccncc3)cc2)cc1 490646097 FEOOQBWXODFNBF-UHFFFAOYSA-N 449.510 5.558 30 20 IKED N#C[C@@H](C(=O)c1coc(-c2ccc(Br)cc2F)n1)c1nc2ccccc2s1 496129214 LDYNMCPICPACFR-LBPRGKRZSA-N 442.269 5.343 30 20 IKED CN(C(=O)CSc1ccccc1C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CCCCC1 499992975 QZOROXAPVPSEEE-UHFFFAOYSA-N 449.620 5.623 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1 505674203 QDBHZWXWQHCNIF-UHFFFAOYSA-N 427.504 5.207 30 20 IKED C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1Cl 507160311 LIYTYPPHJOBAKX-HNNXBMFYSA-N 441.934 5.282 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(c2nc3ccccc3[nH]2)CC1 508954908 CGOLPORTCPZWTH-QGZVFWFLSA-N 446.530 5.004 30 20 IKED CCN(C(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(C#N)cc1 510390396 RTCJLCJZSJGJDD-OAHLLOKOSA-N 425.941 5.541 30 20 IKED Cc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 510659147 QKARXXLAZAOUHI-UHFFFAOYSA-N 428.492 5.070 30 20 IKED COc1ccc(OC)c([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 510671253 ZPCUIJPDLUOKRV-QHCPKHFHSA-N 443.503 5.737 30 20 IKED C=CCc1cc(CNC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cc(OC)c1OC 510996438 AUMVBQUHYYKICR-SFHVURJKSA-N 440.437 5.064 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc3cccc(F)c3c2COC)cc1 511748276 KMDKXSLROUBHRQ-UHFFFAOYSA-N 438.524 5.253 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3C[C@H](c4ccccc4)[C@@H]4COCC[C@@H]43)cc2)c1 515157963 UCVQUKRYZRZWAQ-ZNZIZOMTSA-N 439.515 5.387 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 516242727 PXAYGAQNHLHRDX-UHFFFAOYSA-N 441.984 5.678 30 20 IKED CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cccc(Cl)c1 516305459 MCJOAIXKHWPSRN-NRFANRHFSA-N 433.895 5.210 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 518755623 LDDCCRAEGQALJS-HTAPYJJXSA-N 446.576 5.254 30 20 IKED N#CCCN(C(=O)CCC(=O)N(Cc1ccccc1)Cc1ccccc1F)c1ccccc1 518829430 AOKBGNYIGZMRGC-UHFFFAOYSA-N 443.522 5.082 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1cccc(Br)c1 519432998 LFWVOPBBLWGMSN-CQSZACIVSA-N 435.412 5.573 30 20 IKED CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 519442429 KMRFZOKEYDCPAU-IAGOWNOFSA-N 441.622 5.255 30 20 IKED N#C[C@H](C(=O)c1cccn1Cc1cccs1)c1nc(-c2c(F)cccc2F)cs1 520431469 NVIXOXZXONVUHI-CQSZACIVSA-N 425.485 5.490 30 20 IKED Cc1c(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)[nH]c2c1C(=O)CC(C)(C)C2 520535473 JDRHDFXHDWMVES-JOCHJYFZSA-N 441.531 5.052 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 520562932 XERKOFFHSCLMKP-UHFFFAOYSA-N 427.460 5.029 30 20 IKED Cc1sc2nc(CCC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)nc(O)c2c1C 520607188 BSUBJBBKDXTYIM-UHFFFAOYSA-N 444.516 5.249 30 20 IKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C 521231938 WLLCONGWIMNLEP-NRFANRHFSA-N 427.548 6.449 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F 521445026 SOBPWULJODHPLM-UHFFFAOYSA-N 425.410 6.033 30 20 IKED CN(C)[C@H](CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1c(F)cccc1F 522466172 DDGWIMATJGBPRA-OAQYLSRUSA-N 436.462 5.053 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2Cl)cc1 522754744 UGPSFRLVKHYINX-UHFFFAOYSA-N 449.869 5.500 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c1 523952987 XORRARGHQQYCPQ-UHFFFAOYSA-N 434.455 5.321 30 20 IKED N#CCCn1ccc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CC3)n1 524000274 BVCCBXSXEDCIMP-NXVVXOECSA-N 425.517 5.146 30 20 IKED Cc1nc(-c2cnn(C)c2)sc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 524492785 KERGQZCXFQTOJB-LJQANCHMSA-N 447.951 5.413 30 20 IKED C=CCOc1cccc(NC(=O)C(=O)N(C)[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)c1 525325031 NBZBFEHEMYSMOP-GOSISDBHSA-N 449.576 5.150 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@@H](C)c1cccc(C(F)(F)F)c1 532489804 MEGTZYIKGBJWJX-HOTGVXAUSA-N 435.515 5.589 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2nnc(CC(F)(F)F)s2)cc1Cl 534153672 HFTJIOGNZJCOOM-UHFFFAOYSA-N 438.818 5.213 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)ccc1NC(=O)c1cccs1 535404466 RLAXNMQIAIUOMO-SFHVURJKSA-N 443.553 5.922 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cnc([C@H]4CCCO4)s3)cc2Cl)cc1 536323101 CHSZZGBUFXNXGX-GOSISDBHSA-N 425.897 5.564 30 20 IKED C=CCN(C(=O)[C@@H](OC)c1cnn(C)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 537301565 KPIPAEDSVOPCPD-QHCPKHFHSA-N 444.560 5.117 30 20 IKED CC(C)c1cccc(-c2ccc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)o2)c1 537343768 SFISBFFVLRTPTO-UHFFFAOYSA-N 441.531 5.433 30 20 IKED N#CC1(CCCNc2cc(C(F)(F)F)ccc2SCC(F)(F)F)CCOCC1 540808568 LZSBOXBVTOPEFL-UHFFFAOYSA-N 426.426 5.872 30 20 IKED FC(F)(F)c1cc([C@@H](NCc2cn3ccccc3n2)C(F)(F)F)cc(C(F)(F)F)c1 542122426 CNPMMUNMDLVYGU-OAHLLOKOSA-N 441.297 5.765 30 20 IKED N#Cc1ccc(-n2ccc(NCc3cccc(NC(=O)c4ccccc4Cl)c3)n2)c(F)c1 542946492 RPORNBRJQSVYCB-UHFFFAOYSA-N 445.885 5.401 30 20 IKED CCOc1cccc2cc([C@H](C)NCC(=O)Nc3ccccc3S[C@@H](C)CC#N)oc12 543516660 KAQXNNLMVHIJMY-IRXDYDNUSA-N 437.565 5.515 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@@H]3c3cccc(Cl)c3Cl)CC2)c(F)c1 552342388 JEFWFQVNFOBJGO-SJORKVTESA-N 433.310 5.178 30 20 IKED N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 557632711 TURNNKJHFJLDNU-MRXNPFEDSA-N 437.343 5.120 30 20 IKED C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 559012393 XGLLKQQFHCYPLT-QGZVFWFLSA-N 433.383 5.349 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)C3CCC(OC[C@@H]4CCCO4)CC3)c2)cc1 559081712 PPHIDDPTHGENFC-BOPKNSRXSA-N 448.563 5.025 30 20 IKED N#C[C@@H](C(=O)c1ccc2nccnc2c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 570577838 SORQUBMDJQFIMH-AWEZNQCLSA-N 425.300 5.550 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)c1cccc(COC2CCOCC2)c1 572460516 HDLRJLMUKHETIR-UHFFFAOYSA-N 426.516 5.101 30 20 IKED Cc1c(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)sc2ccc(C#N)cc12 574297870 HNEGJFCDZSFMMV-INIZCTEOSA-N 440.528 5.220 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(Br)cnc1OCC1CC1 588925374 GUNPXCPELXRCAD-ZDUSSCGKSA-N 446.370 5.137 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 603527192 FFAKHRPKJWHXHG-UHFFFAOYSA-N 445.523 5.057 30 20 IKED N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCN(C(=O)c2cccc3ccccc23)CC1 603846910 GPHKHMKBEWTYLX-UHFFFAOYSA-N 444.897 5.015 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)cn2)cc1 604335893 DJCZVPVVEKNYHO-UHFFFAOYSA-N 446.466 5.449 30 20 IKED C[C@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)NC(=O)C1CCCC1 608903547 SPBLBIVMLMLYGB-OAHLLOKOSA-N 425.916 5.027 30 20 IKED Cc1ccc(COc2ccc(C[C@H](C)NC(=O)N(C)Cc3ccc(C#N)cc3)cc2)cc1 608914265 LMSQOYXFBYBPQZ-NRFANRHFSA-N 427.548 5.218 30 20 IKED Cc1csc(CCCCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1 608914869 DUZBKPCXQOWWLB-FQEVSTJZSA-N 438.984 5.905 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1 609083381 NRGOXAYIMNZBQE-QGZVFWFLSA-N 442.249 5.072 30 20 IKED COCCN(C(=O)c1cc2ccccc2n1CC#N)[C@@H](C)c1cccc(C(F)(F)F)c1 609168537 ZWXWUESVEDQEDW-INIZCTEOSA-N 429.442 5.033 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccccc3SCC(F)(F)F)CC2)c1 609204465 AVAAOXGWTSBXKG-UHFFFAOYSA-N 435.471 5.288 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCN(c4ccc(F)cc4F)C3)cc2)cc1 609318774 YCUIPYVYENWVMW-LJQANCHMSA-N 434.446 5.029 30 20 IKED N#CC1(C(=O)NC[C@@H](c2ccccc2)c2c(-c3ccccc3)[nH]c3ccccc23)CCOCC1 609449421 CANGRAUZLVPJFS-DEOSSOPVSA-N 449.554 5.403 30 20 IKED N#CCn1c(-c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)cc2ccccc21 609475647 QPMZCQPCAVRVKC-UHFFFAOYSA-N 430.471 5.280 30 20 IKED COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 610200628 PVOIHJQDCOYLBG-AOYPEHQESA-N 428.557 5.319 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](C[C@@H]3CCOC3)c3ccccc3)cn2)cc1 611075184 BGZKQOKWFZPUPR-WMZHIEFXSA-N 428.492 5.035 30 20 IKED CC(C)N(CCc1nccs1)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 611087179 RTGRKNHFFHAWHL-UHFFFAOYSA-N 425.941 5.554 30 20 IKED C[C@@H](NC(=O)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1)c1ccc(C#N)cc1 612462136 DKZKNYPULMPHAR-PXAZEXFGSA-N 440.263 5.375 30 20 IKED CCOc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)cc(Br)c1OC(F)F 618740993 BEDITVNJRVVDIJ-QGZVFWFLSA-N 437.284 5.098 30 20 IKED O=C(c1cc(Cl)cc(F)c1Br)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 670801632 BJOSOFQBMGISGJ-YUMQZZPRSA-N 442.556 5.054 30 20 IKED Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 679188757 NZWAJOLRDFPJKD-NXEZZACHSA-N 444.347 5.210 30 20 IKED O=C(c1cc(Cl)cc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 681654038 ZUSJYZPQKATMMW-UWVGGRQHSA-N 427.694 5.562 30 20 IKED CC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1F 683689868 QVDWYLHEZQMTOS-AWEZNQCLSA-N 448.306 5.704 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2ccc(OC(F)F)cc2)nnc1-c1ccccc1OC 684999069 YYFDWZAOZKMDGF-CQSZACIVSA-N 445.491 5.105 30 20 IKED C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H]1c1ccc(C(C)C)cc1 685548190 YADABCNHWVLVJD-QFIPXVFZSA-N 440.551 5.245 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 726320444 YBSLAINVPGBQDD-OAHLLOKOSA-N 449.841 5.443 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C)cc2)[n+]2ccc(C(CC)CC)cc2)c1 726572464 GTEQIZZAUYEKLC-UHFFFAOYSA-O 441.620 6.491 30 20 IKED COc1ccc(CNC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 727978433 LAMTUNVSVBVORA-UHFFFAOYSA-N 437.952 5.286 30 20 IKED CCN(C(=O)c1ccc(C=NOC)cc1)[C@H]1CCSc2ccc(Br)cc21 728889504 BCWZGUGOJKOGFB-SFHVURJKSA-N 433.371 5.129 30 20 IKED CC(=NNc1ccc(S(=O)(=O)C(F)F)cc1)c1csc(-c2csc(C)n2)c1 729145008 GBPNHRCLAVSKER-UHFFFAOYSA-N 427.523 5.012 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)CC2)c1 729658802 JIBMORRUBNSXOE-UHFFFAOYSA-N 445.133 5.250 30 20 IKED Cc1ccc(C)c(-n2ccnc2SCC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c1 730421475 KQQPZFVNARSTBV-INIZCTEOSA-N 436.537 5.207 30 20 IKED CCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2csc(-c3ccc(Cl)cc3)n2)cc1 731565078 ZYXVEHPUMKOUER-VAWYXSNFSA-N 432.954 5.121 30 20 IKED C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 732023688 VHIRVENRFMRKPI-GOHWNWGWSA-N 426.516 5.536 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)ccc1OC 733618001 QFANTSYZIYOGRZ-OAQYLSRUSA-N 427.504 5.269 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(OCc3cccc(F)c3)c2)c1 733843480 JHGLDFDLDPSUFI-QFIPXVFZSA-N 433.483 5.407 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)c3ccccc3NC(=O)c3ccsc3)c2)s1 739751894 QYZIWMMPFQULON-UHFFFAOYSA-N 443.553 5.531 30 20 IKED Cc1ccc(C(=O)OC[C@H](C#N)Cc2ccc(F)cc2)cc1NC(=O)Nc1ccccc1 741437284 HSRWNRMNVAFKSH-IBGZPJMESA-N 431.467 5.317 30 20 IKED C/C(=C/C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F 741909203 FYNDOOBPEFOHOU-BCJNBQOMSA-N 433.314 5.698 30 20 IKED C#CCOc1ccc(NC(=O)N(Cc2ccccc2)[C@@H]2CCOc3ccc(OC)cc32)cc1 743152457 VZDQHYOBLHECDT-RUZDIDTESA-N 442.515 5.265 30 20 IKED Cc1ccc(C(C)(C)CN(C)C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 743957023 YJMNQNIWEVUVOE-VWLOTQADSA-N 439.559 5.025 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3nc(-c4ccccc4)oc3-c3ccccc3)o2)c1 744993142 ADISCHSAEZKMGO-UHFFFAOYSA-N 448.438 5.287 30 20 IKED COc1ccc(/C=C(\C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cc1OC 747155283 UPDZAELKIRNGGN-ZHZULCJRSA-N 449.934 5.879 30 20 IKED CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2cc(C#N)cs2)NC(=S)N1c1ccccc1 747960587 LTAGCPZNTNMZOH-OAQYLSRUSA-N 448.548 5.107 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)CON=C(N)c1ccc(COc2ccccc2F)cc1 748796473 LBKCPJYHIITOFP-UHFFFAOYSA-N 449.526 5.112 30 20 IKED COc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3C#N)c3ccccc3n2)cc1OC 751295299 YGDOMVBLFGCQBW-UHFFFAOYSA-N 427.435 5.182 30 20 IKED CC[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccc(OC)cc1 752478089 XJZKDOUUEGJVOF-AUUYWEPGSA-N 432.492 5.241 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3c(Cl)ccc(Cl)c3Cl)c2)c1 753353109 SJMXNTVTQHPOSV-UHFFFAOYSA-N 431.706 6.350 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1 754532531 VRRNVWLCYVIUOI-HNNXBMFYSA-N 447.318 5.093 30 20 IKED COc1cc(NCc2cc(C#N)ccc2Br)ccc1NC(=O)OC(C)(C)C 754885547 OUVBCYFVRBFETL-UHFFFAOYSA-N 432.318 5.288 30 20 IKED C=CCN(C(=O)c1ccc(F)c(C(=O)CC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 757927880 AYWCGPQSJVQDAG-UHFFFAOYSA-N 439.468 5.283 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 760783663 ILVGKCCFGGJSEL-DAFODLJHSA-N 432.295 5.418 30 20 IKED CCc1cccc[n+]1/C(C(=S)Nc1c(C)cc(C)cc1Cl)=C(/O)c1ccc(C#N)cc1 762445521 QJZJNUAJVXFFHD-UHFFFAOYSA-O 448.999 6.002 30 20 IKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(COC(=O)C2(C#N)CC(C)C2)cs1 767426173 YMNZWZIDGKLPAG-UHFFFAOYSA-N 438.336 5.118 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCOc3c(cccc3C(C)C)C2=O)cs1 768490393 OPRHYPSDXJYRLZ-RGEXLXHISA-N 446.572 6.308 30 20 IKED C=CCNc1ncc(C(=O)O[C@@H](C)C(=O)N2c3ccccc3Sc3ccccc32)s1 770119115 PSOVPWMJXVAQBH-AWEZNQCLSA-N 437.546 5.116 30 20 IKED CCCCOc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)c(Cl)c1 770840845 UQIWJEMNAWBJPF-MRXNPFEDSA-N 449.334 5.451 30 20 IKED C[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(OC(F)(F)F)c1 775546194 BBZIIBNJSJOTFS-CABCVRRESA-N 437.487 5.269 30 20 IKED N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 780306047 SCAPBJMBIVFHKO-HXUWFJFHSA-N 431.923 5.327 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(OC(=O)C2(c3ccc(C#N)cc3)CC2)cc1 781487257 XUMMUPPKPBOEHL-UHFFFAOYSA-N 430.891 5.125 30 20 IKED COc1ccc(-c2csc3ncnc(NN=C(C)c4ccc(NC(C)=O)cc4)c23)cc1 781585465 MZFIQMWODXSTPL-UHFFFAOYSA-N 431.521 5.161 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/COc3ccc(Cl)cc3C2=O)cs1 783714351 ICNYBEYEXOEPGI-JYRVWZFOSA-N 445.327 5.793 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3cccc(SC(F)F)c3)c2)cc1 784325410 WYGXACFBHQTXDN-UHFFFAOYSA-N 439.443 5.242 30 20 IKED CC(C)c1cc(C(=O)[C@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)nn1C(C)(C)C 787050788 MDMCRUMDQUPTMV-CJNGLKHVSA-N 449.382 5.268 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 788348826 MFWYINWUEUOYQU-WDSOQIARSA-N 438.936 5.461 30 20 IKED Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)c1cc(-c2cccc(C#N)c2)no1 789979953 RFMNUANZKKHRIW-LJQANCHMSA-N 437.931 5.005 30 20 IKED C[C@@]12CCN(C(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)C[C@H]1C2(Cl)Cl 791190858 DJDDMYUSWKDBPP-UYAOXDASSA-N 435.738 5.660 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)c3ccc(C(=O)C(C)C)cc3)n2)cc1 802053481 SDUFIRUMHKLLHL-IERDGZPVSA-N 432.545 5.637 30 20 IKED Cc1ccccc1[C@H](O)C1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 804508061 ABZQPQINBAUAJP-AREMUKBSSA-N 444.506 5.384 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC1CCC(c2ccc(C(C)(C)C)cc2)CC1 807401876 WWCDOHLSKPGLJI-NLMOZGTASA-N 447.579 5.056 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ccc(N2CCc3sccc3C2)cc1)c1ccccc1 814624791 AJJBPWOWZJAMLR-HSZRJFAPSA-N 430.577 5.867 30 20 IKED Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 875065183 XYIOKCAVANCMHM-UHFFFAOYSA-N 433.924 5.005 30 20 IKED O=C1Nc2c(F)ccc(Cl)c2C1=NNc1ncnc2scc(-c3ccc(F)cc3)c12 914555828 ZXWONUFLLKBVGF-UHFFFAOYSA-N 441.850 5.058 30 20 IKED Cc1cc([C@@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccccc2C)c(C)s1 914691525 PQJGYCCAHMBRDR-FOIQADDNSA-N 441.622 5.035 30 20 IKED Cc1sc2ncnc(NN=Cc3cn(Cc4ccccc4)nc3-c3cccnc3)c2c1C 916309042 ANFJIJAUSIKSRI-UHFFFAOYSA-N 439.548 5.061 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc(F)cc2)o1 916901624 MNPSBHJCZVDBBX-OAHLLOKOSA-N 426.831 5.017 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2coc3ccc4ccccc4c23)cc1Cl 916941255 QZRKKYDOQXOZMY-SFHVURJKSA-N 432.863 5.138 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccsc2)cc1 917683166 SXXRDBKRDCSSJA-FQEVSTJZSA-N 435.574 5.217 30 20 IKED Cc1ccc(-c2nc(C=Nn3c(S)nnc3COc3cc(C)cc(C)c3)cs2)cc1 918711477 YPMQVRXOFQCGST-UHFFFAOYSA-N 435.578 5.077 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3cccc4ccccc34)n2)cc1 920138811 KEXISPJNWIPYAL-JOCHJYFZSA-N 442.540 6.007 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2coc(-c3cccc(F)c3)n2)cc1C 920893621 XYCLHAXVKDHSHP-UHFFFAOYSA-N 444.466 5.232 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)C[C@@H](C)c3ccccc3)CCC2)cc1 1786370041 JFRGQQLEMKKPCP-OAQYLSRUSA-N 434.580 5.297 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(OC)ccc4o3)cc2)CCC1 1789241992 XMUHSLTYYBHDGR-QGZVFWFLSA-N 432.520 5.401 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)[nH]3)CCC2)cc1 1789456417 SZVUTBDGPBZYNS-GOSISDBHSA-N 445.485 5.550 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3occc3c2)[C@H]1c1cccnc1 1809345886 IOVLBBZNVAKFJW-ISKFKSNPSA-N 445.563 5.140 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C)cc2C)[C@@H]1c1cccnc1 1811784473 VVNUTXIWZBBJLZ-VWNXMTODSA-N 433.596 5.010 30 20 IKED N#CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCCCCCCc2ccccc2)[nH]n1 1816750045 GMXWLAZVZRWEQY-QHCPKHFHSA-N 449.599 5.289 30 20 IKED CC(C)C1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)CCC1 1823066570 FWMGWKGHIYFHNX-PGRDOPGGSA-N 447.583 5.169 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C)c2F)CC1 1823901204 PGKVLBATNUQSMS-QHCPKHFHSA-N 426.576 5.136 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cnccc3c2)CC1 1828200494 RPXLUPUIWPNQFA-VWLOTQADSA-N 447.623 5.461 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(Cl)c2)CC1 1828827915 ZKUDYIILKJPGPR-XZOQPEGZSA-N 429.004 5.342 30 20 IKED N#CCCCSC1=N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F 8749859 CVDAJZWOVZMZFG-SFQUDFHCSA-N 434.323 5.913 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(C)cc2C)cc1 10168610 XGLLKNWBPYEWLX-UHFFFAOYSA-O 425.524 5.482 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1ccc(Cl)cc1Cl 14133507 STFSWIAHBDLGHW-UHFFFAOYSA-N 447.391 5.731 30 20 IKED COc1ccc(-c2nnc(SC[C@@H](C#N)CCC#N)n2-c2ccccc2C(C)C)cc1 15234058 OHVRJBKNZMFENT-GOSISDBHSA-N 431.565 5.602 30 20 IKED Cc1occc1-c1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)o1 16620966 UXRSQZYZVDBMCU-UHFFFAOYSA-N 439.541 5.164 30 20 IKED N#Cc1ccsc1NC(=O)COC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 17733666 IHHJDJZSYZLBMW-UHFFFAOYSA-N 446.406 5.226 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccco1 29547713 HIJJXQLRKVTXMJ-KRWDZBQOSA-N 446.532 5.636 30 20 IKED COc1cc([C@@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)cc(OC)c1OC 60976574 MINBSERGOUNPRL-GOSISDBHSA-N 432.520 5.014 30 20 IKED Cc1ccc(Nc2nnc(SCC(=O)c3cn(CCC#N)c4ccccc34)s2)cc1 61183620 IQFPYYPNCAFXPV-UHFFFAOYSA-N 433.562 5.434 30 20 IKED N#CC1CCN(C(=O)c2ccccc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 61585684 IKJXNGPNJUUQIS-UHFFFAOYSA-N 448.375 5.100 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(CN3CCCC3)c2)cc1 64026898 DNZODKZPMPTQHF-UHFFFAOYSA-N 425.532 5.180 30 20 IKED Cc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)sc1SCC#N 107916238 TYTNPPVZCWUJOJ-UHFFFAOYSA-N 426.479 5.020 30 20 IKED C=CCn1c(=S)sc2c(=O)n(Cc3ccc(Oc4ccccc4F)c(F)c3)cnc21 261432893 SZDJGLIYDFEYRY-UHFFFAOYSA-N 443.500 5.294 30 20 IKED N#Cc1cc(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)nc2ccc([N+](=O)[O-])cc12 301406610 MFKXLBBWEQLVKL-UHFFFAOYSA-N 441.422 5.018 30 20 IKED Cc1nc(NC(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)sc1SCC#N 409816616 DMWLPPKGIQWRAQ-QGZVFWFLSA-N 431.489 5.104 30 20 IKED N#CCC[C@H](NC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl)c1ccccc1 429528020 NQVJKRMUMHJAIK-SFHVURJKSA-N 428.323 5.405 30 20 IKED Cc1cc(I)ccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1 432470452 IHGJMNFCKIFZDW-SFHVURJKSA-N 433.293 5.156 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(CCc1ccccn1)Cc1ccc(OC)cc1 432583630 IAJYVBQYEIILTF-UHFFFAOYSA-N 443.591 6.219 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCCc4cccnc43)s2)c(C(F)(F)F)c1 435555590 GWXGTEXQWAOGMT-KRWDZBQOSA-N 442.466 5.078 30 20 IKED Cc1ccccc1-c1nc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)no1 436503545 MMHAVFDTERUWHQ-UHFFFAOYSA-N 425.448 5.031 30 20 IKED C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)COc1ccc(C#N)c(Cl)c1 438889205 GFEBUXZFDQIYNZ-QGZVFWFLSA-N 447.922 5.062 30 20 IKED CCn1ncc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C(F)(F)F 439899966 KPQFGGFQSMJHKV-AWEZNQCLSA-N 427.430 5.343 30 20 IKED C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(Br)s1 440852883 YJQQHQKXIBWHRK-LBPRGKRZSA-N 431.311 5.045 30 20 IKED Cc1sc(Br)c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1C 442511134 QBWQLFWCFHLITG-CQSZACIVSA-N 442.363 5.613 30 20 IKED CC(C)(C#N)CCCCN1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 444655981 YZVRPBSAMDIUCV-SFHVURJKSA-N 431.378 5.280 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CC[C@@]2(CCCOC2)C1 460793845 MJMDIMWVCAWAFD-MHZLTWQESA-N 444.579 5.107 30 20 IKED N#Cc1ccc(NCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)cc1C(F)(F)F 462182142 NRGVXRJFQFYXTG-KRWDZBQOSA-N 444.438 5.021 30 20 IKED C=C(C)COc1cc(CNc2ccc(Cc3nnc4n3CCCCC4)cc2)ccc1OC 463735270 ZOHODSNCYGZFFQ-UHFFFAOYSA-N 432.568 5.171 30 20 IKED CC[C@@](C)(NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)c1nc(C)cs1 464812239 VARVOJZPPCDOHM-HSZRJFAPSA-N 427.618 5.100 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)Nc2ncccc2OCCCC#N)cc1 466607829 NFYIAWJAUVDICL-LJQANCHMSA-N 444.535 5.665 30 20 IKED CCOc1c(Cl)cc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)cc1Cl 467779127 WEKFTWPAKAAPOY-UHFFFAOYSA-N 433.339 5.008 30 20 IKED CC(C)c1nnc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1 467918993 MLJGVACTTHQVDZ-KRWDZBQOSA-N 425.945 5.292 30 20 IKED O=C(c1cc(F)cc(F)c1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469753008 QIVNJSYCGQGIMU-INIZCTEOSA-N 439.302 5.216 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3ccccc3O[C@H](C)c3ccccc3)C2)n1 471900347 DWDFGWKELJYBCI-OFNKIYASSA-N 440.547 5.257 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cccc(N3CC=CC3)c2)cc1 473876679 MXJBEKDLLXKDPM-UHFFFAOYSA-N 425.557 5.157 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 476372080 ZNQCGQJHEBNVMF-HUUCEWRRSA-N 437.487 5.269 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](c1ccc(C(C)C)cc1)c1cccs1 476878450 HPXGMOBTPNXWMD-DEOSSOPVSA-N 438.593 5.834 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 477542722 NSSLYLBFFLCKIG-HUUCEWRRSA-N 432.952 5.274 30 20 IKED Cc1ccc(-c2ccc(Cl)cc2NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)o1 477921319 OFNYLTDTGHDLAK-UHFFFAOYSA-N 442.924 5.238 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@H](CCc3ccccc3)C(F)(F)F)cc2)nc1 478791175 BQTAQTKRRAWUBN-HXUWFJFHSA-N 425.410 5.039 30 20 IKED C[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1ccc2c(c1)CCC(=O)N2 479516462 LJOXCPPCPDQXCJ-MRXNPFEDSA-N 427.529 5.085 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)NCc1cccc(COCc2ccccc2)c1 480254951 OTVRUSQMHXNGRU-UHFFFAOYSA-N 432.523 5.872 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cnn(-c2cccc(C#N)c2)c1CCC 482426681 ZQPMLGFRIILEKY-UHFFFAOYSA-N 445.571 5.084 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@@H](C#N)c1nccc2ccccc12 483195879 MYHHFPHKIMZCKZ-IBGZPJMESA-N 429.476 5.486 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@H](C)c2ccc3ncsc3c2)n(C2CCCCC2)c1C 485837116 YHPCCKYZVPKFRS-MRXNPFEDSA-N 435.597 5.381 30 20 IKED Cc1cc(-c2cc(C(=O)N[C@H](CCCC#N)c3ccccc3)c3c(C)noc3n2)c(C)o1 487503977 RCMYGUJBUBZBRQ-OAQYLSRUSA-N 428.492 5.573 30 20 IKED C=CCOc1ccccc1CN[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 492146311 ZEOFJBBIJVKMBJ-DEOSSOPVSA-N 441.980 5.188 30 20 IKED CCN(CCC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(OC)c1OC)CC2 492184073 XZYIWIPUQOJDCZ-ZCXUNETKSA-N 441.531 5.115 30 20 IKED COc1ccc(CN[C@@H]2c3cc(Br)ccc3CC2(C)C)cc1OCCCC#N 494316250 SXBKZRDXFFODMC-JOCHJYFZSA-N 443.385 5.553 30 20 IKED Cc1cc(C)n(Cc2cccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2)n1 501293173 ZWBQTMBHZIRZFT-NRFANRHFSA-N 446.963 5.815 30 20 IKED CCOC(=O)c1cnc(C)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 502210645 CKAWHQBMAIHXTR-NRFANRHFSA-N 433.895 5.128 30 20 IKED Cc1cc(NC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)nn1CCC#N 504230461 RTYMTBYJXMQISY-UHFFFAOYSA-N 434.496 5.535 30 20 IKED N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1cccc(C(F)(F)F)c1 505933289 HCSWIUIJOCOPJY-JYJNAYRXSA-N 428.332 5.089 30 20 IKED N#C[C@H](NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1ccc(Cl)c(Cl)c1 505948415 OVMKCXSWSSXLJI-INIZCTEOSA-N 441.274 5.103 30 20 IKED Fc1cccc(F)c1[C@@H](NCc1coc(-c2ccc(C(F)(F)F)cc2)n1)C(F)(F)F 506270447 OIFXTVQGIKZBOQ-MRXNPFEDSA-N 436.302 6.032 30 20 IKED C=CCn1c(SCc2nc3cc(Br)ccc3o2)nnc1-c1cccs1 506399658 UTWMXUAKQMWMEJ-UHFFFAOYSA-N 433.356 5.389 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)c1nc2ccccc2s1 507004047 WAEHEYSSBHJDMN-INIZCTEOSA-N 427.514 5.096 30 20 IKED COCc1nc(CNC(=O)c2cn(CCCC#N)c3ccccc23)c(-c2ccccc2)s1 508350381 UBRUCRXUCDKQTD-UHFFFAOYSA-N 444.560 5.145 30 20 IKED C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@H](c2cccs2)C1 508496008 XMYAGZFJMVJJED-SFHVURJKSA-N 449.605 5.202 30 20 IKED COc1cc(C#N)ccc1OCCCc1nc(C2(OC)CCC(c3ccccc3)CC2)no1 508644982 IPRXMPUXIMPCOV-UHFFFAOYSA-N 447.535 5.161 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCCCC[C@@H]3c3ccncc3)c2)c1 511477275 PANQCUQTNUPCLQ-XMMPIXPASA-N 439.519 5.355 30 20 IKED Cc1sc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)c(C#N)c1C 512137697 JRWUAFOPVSAWGE-UHFFFAOYSA-N 433.459 5.212 30 20 IKED CCCNC(=O)Nc1ccc(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 512140355 VIXZFZPXVBBOBG-UHFFFAOYSA-N 442.519 5.372 30 20 IKED CC(C)S(=O)(=O)c1ccc(CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)cc1 513602572 HRKZITMSRJVNPB-UHFFFAOYSA-N 438.574 5.176 30 20 IKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4[nH]3)cc12 513661916 XADAMFBDRLNVFB-AWEZNQCLSA-N 431.908 5.415 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(Br)cc1F 514498679 TVZRYMVDWVUBJY-UHFFFAOYSA-N 426.245 5.208 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)c1nc2ccccc2o1 516710885 ZDXKBUTZFRFELD-INIZCTEOSA-N 428.835 5.417 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(-c2nc3ccccc3s2)o1 520195894 PLSCZHUAIKOPFP-OAHLLOKOSA-N 448.573 6.272 30 20 IKED C=CCC[C@H](NC(=O)N1CC[C@@H](n2cc(Cl)cn2)C1)c1ccc(C(F)(F)F)cc1 520298932 BEYWZILJHBHMAF-MSOLQXFVSA-N 426.870 5.219 30 20 IKED CCCN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@@H](C)c1cc2ccccc2o1 521000370 ZBUWRMZAPPPHDH-FQEVSTJZSA-N 431.536 5.459 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 521899630 GRXYYLNGIJIPPT-CQSZACIVSA-N 441.944 5.148 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)cc1 522380830 APVNRFKBAUINEG-UHFFFAOYSA-N 444.947 5.942 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccccc2OCC2CC2)cc1 525448469 FPKFVFCBBMLXQT-UHFFFAOYSA-N 429.495 5.720 30 20 IKED CN(C)c1nnc(-c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)o1 534979697 MWFKKKHNZAWNHZ-UHFFFAOYSA-N 441.516 5.078 30 20 IKED CC(C)[C@H]1C[C@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCO1 536818217 UXZJIOOXJIETDA-DENIHFKCSA-N 427.932 5.116 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 540816322 NQQWJUBUAYVHPY-QFBILLFUSA-N 432.553 5.092 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 541096821 JAQSBFDMQCRZQC-INIZCTEOSA-N 436.327 5.469 30 20 IKED COc1ccc(-c2cc3nc(CSc4cccc(Cl)c4C#N)[nH]c(=O)c3s2)cc1 542101698 JYQBYYNCOUOHGW-UHFFFAOYSA-N 439.949 5.478 30 20 IKED Cc1nnc(-c2ccc(C(=O)[C@H](C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)cc2)o1 542650315 VHBOTIMCSFZRKN-ILGMOKPNSA-N 444.560 5.459 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)CC1 548883863 CALABXBFNRWWRK-UHFFFAOYSA-N 425.319 5.081 30 20 IKED C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC(OC2CCCC2)CC1 549670227 QCTHAJQQVLQKKG-UHFFFAOYSA-N 445.405 5.212 30 20 IKED N#Cc1ccc(C[C@H](C#N)c2nc(C3(c4ccc(Br)s4)CCC3)no2)cc1 561928580 HGNAOXDLCDWTKQ-OAHLLOKOSA-N 439.338 5.085 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)CCc3nc(-c4ccc(Cl)cc4)no3)cc2)ccn1 562182044 BVNAFHIZRSJHPC-UHFFFAOYSA-N 445.866 5.020 30 20 IKED O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1ccc2nc(C(F)F)[nH]c2c1 563852464 RNUKDXPUBLPDLS-UHFFFAOYSA-N 435.299 5.416 30 20 IKED Cc1nn(C)c(Sc2ccccc2)c1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 574949001 BLOJYPMRIFAZKJ-UHFFFAOYSA-N 441.516 5.191 30 20 IKED CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(C#N)c(F)c2)c2cccs2)cc1 576868699 XCJTYXUXSITIGZ-NYHFZMIOSA-N 435.524 5.117 30 20 IKED COCCC1(C)CN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C1 578278744 SOBRKNUUZNVYCC-UHFFFAOYSA-N 433.430 5.260 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1ccc2ccccc2n1 603627732 IAGMFRZVEIUEDK-LJQANCHMSA-N 444.288 5.675 30 20 IKED Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1)CC3 604450174 QGAOPPRHJLNIOK-UHFFFAOYSA-N 437.547 5.069 30 20 IKED O=C(N[C@H]1C[C@@H]1c1c(F)cccc1F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604789574 YOFLSTXSMRAPCC-FDKVEUBTSA-N 430.339 5.029 30 20 IKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1C 606026695 BNKSQAUNWBLXNS-UHFFFAOYSA-N 443.619 5.126 30 20 IKED COc1ccc(C[C@@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2ccccc2)cc1OC 608993913 BZAVHKKYTADHDA-HSZRJFAPSA-N 443.547 5.610 30 20 IKED CCC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609125031 ONIRXOPKNYZZCO-AAIMPIBUSA-N 437.971 5.409 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSC(c1ccccc1)c1ccccc1 609369819 LXXBZDKXNXQSQO-LJQANCHMSA-N 432.614 6.400 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H](c2cc3ccccc3[nH]2)C1 609385139 SVBKFBAJVHBTHG-QUCCMNQESA-N 432.593 5.380 30 20 IKED CC(C)(C)Cc1nc2cc(NC(=O)c3occc3COc3cccc(C#N)c3)ccc2o1 609415621 IVSAXOZODAJJDM-UHFFFAOYSA-N 429.476 5.712 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 610019449 BRQCVAHNFCDULL-UHFFFAOYSA-N 446.576 5.336 30 20 IKED COc1ccc2nc(C)cc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c2c1 610174880 KHRLOANDCPWZKM-UHFFFAOYSA-N 445.466 5.829 30 20 IKED CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)N[C@H](C)c2cccc(C#N)c2)cc1 610415247 IAOYSIYIMFEMHH-QGZVFWFLSA-N 449.532 5.027 30 20 IKED C[C@@H](c1ccc2ccccc2c1)N(C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)C1CC1 610663986 HAPUEJSZZPAQAW-IBGZPJMESA-N 439.563 5.010 30 20 IKED N#C[C@H](C(=O)c1ccccc1OCc1cccc(Br)c1)c1nc2ccccc2o1 614439689 DFGQSMCYYGAOKC-GOSISDBHSA-N 447.288 5.659 30 20 IKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@H](CC(F)(F)F)C1 622724237 YTTYQJGZEYPSSS-JTQLQIEISA-N 437.302 5.294 30 20 IKED Fc1ccc(OCc2noc(CNc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 627697905 OZXKLTWIISULGQ-UHFFFAOYSA-N 435.299 5.437 30 20 IKED O=C(NCCc1ccc(OC(F)F)cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642659323 OTPIRJSRQXITSI-VXGBXAGGSA-N 448.354 5.039 30 20 IKED C=CCN(C(=O)CCc1ncc(-c2ccc(C)cc2)o1)c1nc(-c2ccccc2)cs1 648050957 ZKFLYSSWOGCOHR-UHFFFAOYSA-N 429.545 5.925 30 20 IKED C=CCn1c(Sc2ncnc3scc(-c4ccc(F)cc4)c23)nnc1-c1ccoc1C 669673276 ISWDTBVSVODUJY-UHFFFAOYSA-N 449.536 5.995 30 20 IKED C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc2nc(C(F)F)sc2c1 672299583 LVNNATLHTAGXAD-UHFFFAOYSA-N 426.448 5.237 30 20 IKED CN(C(=O)c1ccco1)c1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 731000524 SMTORQPFRJQBBB-QHCPKHFHSA-N 435.483 5.464 30 20 IKED Cn1c(CC(=NOCC(=O)Nc2ccc3ccccc3c2)c2ccccc2)nc2ccccc21 731664843 YCNLEAHUSKVDCX-UHFFFAOYSA-N 448.526 5.329 30 20 IKED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2sc3cc(C(C)C)ccc3c2Cl)c1 732708574 QFDPTASPKWQRLQ-QGZVFWFLSA-N 426.925 5.648 30 20 IKED CC[C@@H](C#N)Oc1cc(CNCc2ccc(-c3cccc(Cl)c3)s2)ccc1OC 733329940 MDRGDRHHGIPMSH-IBGZPJMESA-N 426.969 6.048 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NC(=S)Nc3ccc(C#N)c(Cl)c3)s2)cc1 733754813 LQGRTNQUPAHIQN-CYBMUJFWSA-N 442.997 5.700 30 20 IKED Cc1cc(F)ccc1-c1ccc(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1F 735396148 MVUUDFQNFKWEEQ-NRFANRHFSA-N 428.438 5.935 30 20 IKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2cccc(Nc3ccccc3)c2)nc1C 735656306 FDZXDGFXDUIRJV-UHFFFAOYSA-N 448.577 5.181 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)ccc1OCc1ccccc1 748583865 JRLBLCIECBEZCV-QPEQYQDCSA-N 429.472 5.127 30 20 IKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cscc2C)c1 749019433 OROQRAVSVFQUCO-UHFFFAOYSA-N 446.981 5.344 30 20 IKED N#Cc1ccc(N2CCN(C(=O)Nc3ccccc3SCc3ccccc3)CC2)c(F)c1 750685289 DBYCLSLBBGMBNU-UHFFFAOYSA-N 446.551 5.344 30 20 IKED C=CCn1c(SC[C@H](O)c2ccccc2Br)nnc1-c1ccccc1C 751581768 SDTNJRQVNUHDHP-SFHVURJKSA-N 430.371 5.028 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2cc(F)ccc2F)C2CCCC2)c1 751792330 DZDIWEUISOCNLC-OAQYLSRUSA-N 427.495 5.300 30 20 IKED CC1([C@@H]2CCCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)C2)OCCO1 752525006 HEMYDCLJZHKNJV-QGZVFWFLSA-N 441.915 5.011 30 20 IKED C[C@H](CSc1ccc(F)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 756232309 SLEVLVMLRSVCES-IAQYHMDHSA-N 425.312 5.208 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(CC2CC2)C(=O)N[C@@H]1c1cnc(C2CCC2)s1 760340135 WQYSGJXNNRBNOF-HXUWFJFHSA-N 425.529 5.026 30 20 IKED COc1cccc([C@H](C#N)NC(=O)[C@H](Sc2ccccc2F)c2ccccc2)c1OC 768157803 UMGQNUVZHQMLAO-WMZHIEFXSA-N 436.508 5.057 30 20 IKED Cc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c(Br)n1 771451146 YPNJSEONFDAXKF-UHFFFAOYSA-N 426.245 5.208 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC=C(c2ccc(Cl)nc2)CC1 774040182 QJENESITBUXRHN-UHFFFAOYSA-N 444.922 6.029 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)C1 777298142 WHHVKIJFIDSBOD-SPLOXXLWSA-N 433.961 5.163 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)O[C@@H]([C@H]2CCOC2)C(F)(F)F)c1 778038236 KIJYDCOZXUSMLX-UGSOOPFHSA-N 425.790 5.128 30 20 IKED COc1cccc2[nH]cc(CC(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c12 779193576 FVFSDZPNRYLRGV-ZDUSSCGKSA-N 429.423 5.224 30 20 IKED CC(C)c1cccc(C(C)C)c1NC(=S)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 779731480 SNJLLLSJMGCULO-QFIPXVFZSA-N 434.609 5.287 30 20 IKED N#Cc1cccc(COc2ccc(NC3CCN(C(=O)c4ccoc4)CC3)cc2Cl)c1 781530440 VFNQKGFVZGAKJW-UHFFFAOYSA-N 435.911 5.100 30 20 IKED CC(=NNc1nc(C)nc2sc(-c3ccccc3)cc12)c1ccc(N2CCNC2=O)cc1 782133444 WOTPGCSUIVSZMW-UHFFFAOYSA-N 442.548 5.032 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C2CC2)cnc1Cl 793463166 ZVXWWYPVHFWLMZ-UHFFFAOYSA-N 425.863 5.889 30 20 IKED CCCc1c(N[C@@H](C)c2ccc(OCC#N)cc2)cnn1-c1cc(F)c(OC)cc1F 795855925 KFJRCXGXWSWLDV-HNNXBMFYSA-N 426.467 5.187 30 20 IKED Cc1nn(C)c(Br)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 800845144 COIKYOHQUWPCNR-INIZCTEOSA-N 443.732 5.052 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(O)(c2ccccc2)CC1 802605079 ZIIAVJXIKUBLQM-QFIPXVFZSA-N 446.595 5.099 30 20 IKED CC(C)(C)OC(=O)N1CCC(c2cnc(NC(=O)c3ccc(Cl)c(C#N)c3)s2)CC1 804817546 BEARDOYNDQBWTB-UHFFFAOYSA-N 446.960 5.035 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(-c3ccncc3)cc2)cc(OC)c1OCC(F)F 809153654 AYFKKPLGRBPPKP-BAQGIRSFSA-N 425.431 5.306 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3C[C@H](c4ccccc4)OC3=O)cc2Cl)c1 809663374 OIAWTXHYAYCJFN-NZQKXSOJSA-N 446.890 5.034 30 20 IKED N#C[C@H](C(=O)Cc1ccc(Br)c(Cl)c1)c1nc2ccccc2n1C(F)F 810535190 CUMRIZAJJJDMGN-LLVKDONJSA-N 438.659 5.266 30 20 IKED Cc1cc(C(=O)COC(=O)c2cccc(C#N)n2)c(C)n1C(c1ccccc1)c1ccccc1 811251536 RDPRSNOSYGNFQA-UHFFFAOYSA-N 449.510 5.049 30 20 IKED C#C[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)c1ccc(F)cc1 812918568 WEIXWXTVVGZACN-QGZVFWFLSA-N 445.372 5.186 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)c1cccc(Br)c1 813060439 ZJEUZIGDKRFHDV-IFXJQAMLSA-N 427.342 5.025 30 20 IKED C[C@H](CC(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl)c1ccc(F)c(Br)c1 813077959 CYUSHAXAFJMDPX-SECBINFHSA-N 440.656 5.154 30 20 IKED N#C[C@H](C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1cc(C(F)(F)F)ccn1 813211090 DBNOCQBBOGPYJM-JYJNAYRXSA-N 427.451 5.636 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cccc(O)c1Cl 814729472 QXXOZGXVIAGJKC-UHFFFAOYSA-N 430.316 5.328 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2Cc3ccccc3[C@H](c3ccccc3)C2)c1=S 887566518 CCNWNNJVMRBBOP-DEOSSOPVSA-N 439.588 5.267 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(-c2noc(CCCCOc3cccc(C#N)c3)n2)c1 904634099 PUGXVBZPPFPHHL-UHFFFAOYSA-N 434.496 5.357 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CCC(c3nc4ccccc4s3)CC2)c1=S 915829817 IYKJGYHKBKNKHT-UHFFFAOYSA-N 448.621 5.109 30 20 IKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccco2)C1=O)Nc1ccccc1 916211663 FEHONEMEBRYTBY-IBGZPJMESA-N 439.924 5.094 30 20 IKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 916212358 UYRAZJGOHRTICK-SFHVURJKSA-N 449.498 5.466 30 20 IKED CCCc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 916847111 LYNMTUXYQDPUAW-SFHVURJKSA-N 447.560 5.068 30 20 IKED Cc1nc(Cc2ccccc2)sc1C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 916946484 WEYLUFONCLQIFR-KRWDZBQOSA-N 444.343 5.310 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 916975035 VDUPAKAGNIIXLF-LJQANCHMSA-N 431.517 5.034 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)cs1 917562216 WDXYAIHNBQFRQL-UITAMQMPSA-N 435.307 6.170 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)c([N+](=O)[O-])cc1OC 917603909 BXNQKNVLHACLCL-BQYQJAHWSA-N 440.433 5.145 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 918489912 OCVLOJCFRMLJLT-XMSQKQJNSA-N 435.936 5.615 30 20 IKED Cc1cc(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C)n1-c1ccc(F)cc1 918685544 LLJCFFKSELAJKX-ZIAGYGMSSA-N 436.371 5.436 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\COc3ccc(C(C)C)cc3C2=O)cs1 920068071 IFOHRYFCWLPSBW-YBFXNURJSA-N 432.545 5.918 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2cccc(C#N)c2)cs1 920370995 QLPDFWDUKIXSGF-UHFFFAOYSA-N 429.427 5.164 30 20 IKED COc1cc(Br)c(/C=C\C(=O)c2ccc(OCC(F)(F)F)cc2)cc1O 920481029 RJKSISXRNWTLNA-DAXSKMNVSA-N 431.204 5.001 30 20 IKED C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 920765642 AZNJBCGFYSTCRG-FOIQADDNSA-N 435.867 5.310 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1ccc2nc(O)oc2c1 1673741483 MVWZEMWCQPDLAY-HNNXBMFYSA-N 428.448 5.389 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4coc(Cl)n4)cc3)CCC2)c1 1787110610 VPXRCRQQMBYIGZ-HNNXBMFYSA-N 448.910 5.017 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)ccc3OCC)CCC2)cc1 1791583876 CSRSJEXQROXIRJ-UHFFFAOYSA-N 438.955 5.290 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)cc(Cl)c2)[nH]n1 1819311297 UTAGHZQICNUNGR-AZUAARDMSA-N 444.938 5.277 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3ccoc3c2)CC1 1827499033 GNEZQJBPMNHAID-JOCHJYFZSA-N 437.584 5.054 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(Cl)s2)CC1 1828821706 QCBVSAHXANWRTG-NHCUHLMSSA-N 449.060 5.332 30 20 IKED CCCCC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830633831 UHQCNOANIVCNFL-OFVILXPXSA-N 437.628 5.202 30 20 IKED C=CCN(C(=O)CCc1c[nH]c2ccccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14724165 IRPAQNIXBJXZAY-UHFFFAOYSA-N 432.505 5.351 30 20 IKED C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)OCc1ccc(-c2ccccc2C#N)cc1 23442191 CAUSBHNXQKAFRG-KRWDZBQOSA-N 448.519 5.168 30 20 IKED N#CCCCSc1nc2ccc(Br)cc2c(=O)n1Cc1ccccc1Cl 24205261 GKOYOBSLYKWPKZ-UHFFFAOYSA-N 448.773 5.257 30 20 IKED N#CCCCCOC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 25103489 LIRORHOZZQXRAH-UHFFFAOYSA-N 428.467 5.136 30 20 IKED C[C@@H](N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccc(C#N)cc1 30449722 XLODJBMYXFDJEU-IVZQSRNASA-N 434.883 5.150 30 20 IKED C=CCn1c(SCC(=O)Nc2cc(OC)ccc2Cl)nnc1-c1ccc(Cl)cc1 64829456 UEBDQLJTJOKCCM-UHFFFAOYSA-N 449.363 5.177 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 108900133 VNCLAEJBULYCGV-UHFFFAOYSA-N 431.439 5.280 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1 111018863 SXUBVWDVFLDWPX-UHFFFAOYSA-N 427.504 5.207 30 20 IKED Cc1ccc(Br)cc1NC(=O)CCNc1ccc(C#N)cc1C(F)(F)F 112667358 KPHFCIORMIOTMQ-UHFFFAOYSA-N 426.236 5.089 30 20 IKED CC[C@H](C#N)Oc1cc(CNCc2ccc(-c3ccc(C(F)(F)F)cc3)o2)ccc1OC 236896179 PMYZVYKIEAALJC-LJQANCHMSA-N 444.453 5.945 30 20 IKED COc1ccc(-c2ccc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c(F)c2)c(F)c1 409930381 DEWMRKABGQQADE-UHFFFAOYSA-N 448.469 5.196 30 20 IKED C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)Nc1ccccc1SC[C@H](C)C#N 426276744 HNLPEUXHBDIQHC-CABCVRRESA-N 442.009 6.259 30 20 IKED N#CCCNC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1cccc(C(F)(F)F)c1 426438008 AOOSIKZCVQSDJR-UHFFFAOYSA-N 429.364 5.350 30 20 IKED N#CCCn1ncc(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)c1-c1ccccc1 428298329 FLRCANVHKLNSFT-UHFFFAOYSA-N 440.478 5.434 30 20 IKED COc1cc(Br)ccc1CNC(=O)Nc1ccccc1S[C@@H](C)CC#N 429451690 MBUWEHSQDWSLKG-ZDUSSCGKSA-N 434.359 5.174 30 20 IKED N#CCCn1cc(CNc2ccccc2CN2CCc3ccccc32)c(-c2ccncc2)n1 435125213 DEJPMBOOVJUUGT-UHFFFAOYSA-N 434.547 5.034 30 20 IKED CC[C@@H](C#N)Sc1nnc(COc2ccc(OC)cc2)n1-c1cccc(C(F)(F)F)c1 436058799 ZNATWSOZQCWLOR-SFHVURJKSA-N 448.470 5.268 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1F 438660206 HPPFJFNATXEJMO-UHFFFAOYSA-N 443.478 5.616 30 20 IKED N#CCC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1)c1ccccc1 439445149 YCUKIFFPHCPZKO-JOCHJYFZSA-N 433.895 5.232 30 20 IKED C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1cccc(OC(F)(F)F)c1 440800787 GGJPIMSFQIUBAW-CQSZACIVSA-N 430.382 5.120 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc(OC)c1OC(F)F 442672924 JUXMOYQSABOQTD-OAHLLOKOSA-N 444.459 5.227 30 20 IKED N#Cc1ccc(N2CCN(C(=O)Nc3cccc(C(F)F)c3Cl)CC2)c(Cl)c1 445108315 KDFWOJOCKKUEHU-UHFFFAOYSA-N 425.266 5.157 30 20 IKED N#Cc1cc(F)c(C(=O)Nc2nc(-c3ccc(Br)s3)cs2)c(F)c1 445752498 QOTUWMBASWNAJO-UHFFFAOYSA-N 426.267 5.036 30 20 IKED COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1c(F)cc(C#N)cc1F)CCO2 446032763 DJOPFXZFEFJNLE-JOCHJYFZSA-N 434.442 5.011 30 20 IKED N#Cc1cc(N[C@H]2CSc3ccccc32)cc(N[C@H]2CSc3ccccc32)c1[N+](=O)[O-] 462877122 XVMOBHXKXCXNRH-PMACEKPBSA-N 446.557 5.984 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccccc2NC2CCN(C)CC2)cc1 464913560 ACFXYKWLXOSKNB-UHFFFAOYSA-N 440.547 5.417 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCCc2nc(C(F)(F)F)cs2)cc1 466462725 MIJUHWSNDFWODY-UHFFFAOYSA-N 432.427 5.190 30 20 IKED N#CCCCn1cc(C(=O)Nc2cccc3c2CN(c2nccs2)C3)c2ccccc21 469672629 CJIDPUJJPJIRNY-UHFFFAOYSA-N 427.533 5.174 30 20 IKED COc1ccc([C@@H](NCc2nnc(-c3ccc(C#N)cc3)o2)c2ccccc2Cl)c(C)c1 471668597 RLOBESNKLZCWDX-XMMPIXPASA-N 444.922 5.458 30 20 IKED COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 477343611 XOOOKMRYIWOUAW-QFIPXVFZSA-N 441.531 5.907 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 477970811 UUEHLNHCUWQPPS-UHFFFAOYSA-N 446.477 5.279 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(-c4cncnc4)cc3F)c2)cc1 478065173 VZIBCZPYCIYPRZ-UHFFFAOYSA-N 438.462 5.180 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1nc(C(C)C)c(C)s1 478625279 IEZGMDIPPYSAAG-UHFFFAOYSA-N 440.382 5.374 30 20 IKED N#Cc1cccc(COc2cccc(CNc3ccc4c(c3)CCC(=O)N4CC3CC3)c2)c1 479579341 ZGQFYQPMAFXALO-UHFFFAOYSA-N 437.543 5.439 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(CSC2CCOCC2)c1 480770749 TXOOTPSWEVQTBR-UHFFFAOYSA-N 437.030 6.034 30 20 IKED Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cc2F)n1 482218919 ZTXFZXGBCSVTOZ-UHFFFAOYSA-N 440.478 5.331 30 20 IKED C[C@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 483050177 PDFIHYXFROTUAD-LJQANCHMSA-N 429.520 5.132 30 20 IKED N#CCCC[C@H](NC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O)c1ccccc1 487320455 AFVJFOKDNPKPLR-NRFANRHFSA-N 437.902 5.294 30 20 IKED C=CCn1c(SCCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccccc1C 488916813 VCHRNGKZLUQPMO-UHFFFAOYSA-N 447.391 5.867 30 20 IKED C=CCN(CCc1ccco1)C(=O)Nc1cc(OCC)c(OCC)cc1Br 490541796 JDECZWFAMXTANG-UHFFFAOYSA-N 437.334 5.102 30 20 IKED CN(C(=O)c1cccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1)c1ccccc1 505923734 XSDGCRXFVNNDKB-OAQYLSRUSA-N 438.314 5.265 30 20 IKED N#C[C@@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccc(Cl)c(Cl)c1 505928615 RBNPVMIOFNFZRB-QGZVFWFLSA-N 430.316 5.302 30 20 IKED N#C[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1cccc(C(F)(F)F)c1 505947507 ISLHMVAVYNSSKS-QGZVFWFLSA-N 435.858 5.406 30 20 IKED C[C@H](CC(=O)c1ccccc1F)C(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 508105721 UJEAPTXZBYTNOF-DIFFPNOSSA-N 435.339 5.473 30 20 IKED C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(c2ccnn2CC)CC1 508813122 NGZOIJDULXASJE-UHFFFAOYSA-N 448.615 5.075 30 20 IKED CN(Cc1cccc(OC(F)(F)F)c1)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 511553389 JGLYPZSYDDLYRW-MRXNPFEDSA-N 438.343 5.559 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc(OC)c1C(C)C 512731386 RYDKQJIWLLBMAG-AWEZNQCLSA-N 442.487 5.719 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 515409135 YBMYIGVAWFJKRK-HXUWFJFHSA-N 428.532 5.063 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCO[C@H](c4ccccc4Cl)C3)c2)cc1 517903192 DECXLXCDRPLSBO-QHCPKHFHSA-N 433.895 5.609 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc(-c2cccs2)no1 519430297 HVWVOLWXGSBXFD-CYBMUJFWSA-N 430.580 5.064 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(COc2ccccc2)cc1 520858202 SFTCUPWKZVFHLM-IBGZPJMESA-N 431.561 5.839 30 20 IKED CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1 521110253 UIXNTAHUFRUXNF-QGZVFWFLSA-N 444.556 5.313 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H](C)c2ccc(Cl)c(Cl)c2)cc1 521208489 XILFOZGYTKMTRT-MRXNPFEDSA-N 446.378 6.033 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N[C@@H](C#N)c3ccc(Cl)cc3)cc12 521602534 CHMPRTFDTPEJQM-IBGZPJMESA-N 438.915 5.242 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 521711580 AOAKVALSRBWFQA-UHFFFAOYSA-N 445.875 5.037 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)CCc1ccc(Br)cc1 521737697 SCGXNLBJSKFPRI-KRWDZBQOSA-N 426.358 5.040 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCO4)cc2)cc1 521962164 QWLSRUULTISDNX-HSZRJFAPSA-N 426.472 5.251 30 20 IKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cnn1-c1ccc(Cl)cc1 524385990 FEEKUKSWFHKQKJ-UHFFFAOYSA-N 442.906 5.537 30 20 IKED N#CCCN(C(=O)CCC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1)c1ccccc1 524623381 SMKNSZNRFFFIMG-AREMUKBSSA-N 445.950 5.273 30 20 IKED Cc1cc(Sc2ncccn2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 524656733 PMQATCLPSMMFEY-UHFFFAOYSA-N 431.565 5.498 30 20 IKED C=CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 524669500 FSPRXUNZHASITD-WOJBJXKFSA-N 435.505 5.050 30 20 IKED N#C[C@H](NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1ccc(OC(F)(F)F)cc1 530637548 CDSOTXFAAODTCY-SFHVURJKSA-N 447.800 5.421 30 20 IKED C=C(C)COc1cc(CN2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)ccc1OC 536668408 BQMSQBWBHHAJLZ-UHFFFAOYSA-N 433.470 5.162 30 20 IKED C[C@H](CC(=O)c1ccccc1F)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 537247712 SHBFZIUZBRVLIE-DIFFPNOSSA-N 435.339 5.473 30 20 IKED COc1cc(CN[C@@H](C)c2ccccc2OC(F)F)ccc1OCc1cccc(C#N)c1 540345264 IFVVBJFAZLUYFV-KRWDZBQOSA-N 438.474 5.598 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)c3cnn(C(C)C)c3n2)cc1 540778693 FVKPVPZMEZOGBF-IBGZPJMESA-N 443.576 6.058 30 20 IKED CCOc1ccc(F)c(NC(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c1F 540978330 RNZJRTXTKFDAHR-HNNXBMFYSA-N 440.315 5.390 30 20 IKED Cn1cc(-c2ccc(F)c(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c2)cn1 541075451 ZSSRFZOBFQOARW-JOCHJYFZSA-N 444.897 5.787 30 20 IKED Cn1cnc(-c2cccc(NC(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)c2)n1 541243788 QXLYWADFEYIIGG-UHFFFAOYSA-N 429.867 5.052 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(Cl)c(C#N)c3)s2)c(C(F)(F)F)c1 541609451 SAXLDHLJHNWISW-UHFFFAOYSA-N 446.841 5.402 30 20 IKED CO[C@H](C)C(=O)Nc1cccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 543849113 LJPPCUVHINXTFR-QZTJIDSGSA-N 442.519 5.081 30 20 IKED N#Cc1ccc(N2CCC(C(=O)NC3(c4c(Cl)cccc4Cl)CC3)CC2)c(F)c1 552354266 WDHCAZGLRAOCGC-UHFFFAOYSA-N 432.326 5.026 30 20 IKED CC[C@@H](C)n1c(SCC(=O)Nc2cc(C#N)ccc2NC2CC2)nnc1-c1ccccc1 552587270 ABIOFDNTDNIVOE-MRXNPFEDSA-N 446.580 5.093 30 20 IKED N#Cc1cc(C(=O)N2CCC(c3ccc(Cl)cc3Cl)CC2)cnc1C(F)(F)F 552956004 CAYURGACOSAMOS-UHFFFAOYSA-N 428.241 5.299 30 20 IKED C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC(c2ccsc2)CC1 559005592 PPPQZCQKKMJYJH-UHFFFAOYSA-N 440.638 5.601 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)Cc1cccc(Br)c1 561206328 PSLZDQYVYDHQIG-LSDHHAIUSA-N 432.387 5.454 30 20 IKED Cc1nc(C#N)c(N2CCC(c3nc(-c4ccccc4Nc4ccccc4C)no3)CC2)o1 576622006 RVVMPYWVNZQGBH-UHFFFAOYSA-N 440.507 5.341 30 20 IKED C[C@@H](c1nc2ccccc2s1)N(C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 581386791 NRYWJAIPBDPXCL-CABCVRRESA-N 438.622 5.376 30 20 IKED Cc1ccccc1NC(=O)[C@@H]1CCc2ccccc2N1C(=O)c1cc(C#N)ccc1Cl 588909418 QLSVFXYXHQEJSV-QHCPKHFHSA-N 429.907 5.120 30 20 IKED O=C(c1cnc(Cc2ccc(F)cc2)s1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 589051379 KCJOZXAUYSHBJA-VXGBXAGGSA-N 440.384 5.076 30 20 IKED C=CCN(C(=O)c1ccc(COc2ccccc2C#N)o1)c1nc(-c2ccccc2)cs1 603948063 VMBNTAGRTALFQQ-UHFFFAOYSA-N 441.512 5.687 30 20 IKED Cc1noc(CSc2ccc(C(=O)Nc3sc4c(c3C#N)CCCCCC4)cc2)n1 603996659 NGZNBFDYNFYPPO-UHFFFAOYSA-N 438.578 5.515 30 20 IKED CN1CCC[C@H](CNC(=O)c2cc(F)c(F)c(F)c2F)[C@H]1c1ccc(C(F)(F)F)cc1 605104180 WULWBCLHZPMZJA-CWTRNNRKSA-N 448.382 5.075 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3c(F)cc(F)cc3-c3ccccc3)o2)cc1 609060218 WGBNJFUSKORJED-UHFFFAOYSA-N 430.410 5.928 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1(c2ccc(F)cc2)CCOCC1 609060523 GOUNOMBKMCUNBS-UHFFFAOYSA-N 444.506 5.272 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CNC(=O)c2cccc(Cl)c2)cc1Cl 609163677 UTAZHYFMGUHTCV-HXUWFJFHSA-N 438.314 5.017 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nncn1[C@H](C)c1ccccc1 609371490 LYCMELSMIGSQFN-DLBZAZTESA-N 437.594 5.012 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 609403073 QTHLYIYXKJQBNJ-INIZCTEOSA-N 446.979 5.081 30 20 IKED C=CCN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nc2c(s1)CCCC2 609640343 DRAYBJYXLMCHGR-UHFFFAOYSA-N 429.545 5.305 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCCc4cccc(OC(F)F)c43)c2)cc1 609643107 OQKXRZKETCMYEH-UHFFFAOYSA-N 434.442 5.332 30 20 IKED N#Cc1c[nH]ccc1=NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)cc1)CC2 609786084 IOIJDXHNFIGZSH-LGMDPLHJSA-N 436.902 5.316 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCCC[C@@H]3c3noc(C4CC4)n3)cc2)cc1 609975545 QNLUERQXDRHRGF-JOCHJYFZSA-N 428.492 5.173 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCc3c(Cl)cccc3C2)cc1 610093883 UZOCZQVCZHFFQX-UHFFFAOYSA-N 431.923 5.575 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 610632532 LNQCTXGBGKNIKO-OAHLLOKOSA-N 433.499 5.806 30 20 IKED Cn1nc(C(C)(C)C)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346938 SQSABXWQOVNHPU-ZDUSSCGKSA-N 433.364 5.638 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1nc2cc(C(F)(F)F)ccc2s1 613404661 PFPLBRVMJQIAJX-CYBMUJFWSA-N 430.386 5.334 30 20 IKED N#Cc1ccc(CNC(=O)Nc2ccc(Br)cc2Br)cc1Cl 619786193 VMJPXWHCYIRAHJ-UHFFFAOYSA-N 443.526 5.058 30 20 IKED O=C(Nc1cc(F)ccc1N1CCCCC1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674564651 JCZPATLJQWKIPG-CHWSQXEVSA-N 427.364 5.021 30 20 IKED CC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1F 683689869 QVDWYLHEZQMTOS-CQSZACIVSA-N 448.306 5.704 30 20 IKED O=C(Nc1cc(Cl)c(Cl)cc1F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 685019710 YFPJUIYHLQNKGP-JIGDXULJSA-N 441.174 6.164 30 20 IKED COc1ccc(N2CCC(NC(=O)c3ccccc3Sc3ccccc3C#N)CC2)cc1 726562425 KALYIXUJRSGEOT-UHFFFAOYSA-N 443.572 5.117 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2Cl)c1 727999097 KRMIPJKMOSCBHZ-UHFFFAOYSA-N 442.258 5.605 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)Nc1cccc2ncccc12 728300203 ZJEGNGNNYDOLKX-KRWDZBQOSA-N 440.478 5.264 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)c1ccc(N2CCCC2=O)cc1 730578444 QUXHDAYVQIPOKY-BUHFOSPRSA-N 433.939 5.225 30 20 IKED N#C[C@@H](C(=O)c1sccc1SC(F)F)c1nc2cc(C(F)(F)F)ccc2s1 730689625 HXXRKAOPBOXBQL-QMMMGPOBSA-N 434.436 6.181 30 20 IKED CN(C(=O)c1ccco1)c1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 731002913 CGQLGASVVHQAKF-UHFFFAOYSA-N 437.455 5.472 30 20 IKED N#Cc1cccc(COc2ccc(N[C@H]3CCN(c4ccccc4Cl)C3=O)cc2F)c1 732229188 WTAAXGLRFUQMPW-NRFANRHFSA-N 435.886 5.147 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 732434882 HYSPYIXRYSPGOW-VWLOTQADSA-N 445.950 5.112 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 732900928 FCIPNNVQRDXXAU-GOSISDBHSA-N 436.414 5.117 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1NC(=O)C(C)(C)C 733146919 RDWQRMBRGZSTBM-UHFFFAOYSA-N 441.531 5.683 30 20 IKED C[C@H](OC(=O)c1cccc(COc2ccccc2C#N)c1)c1nnc(-c2ccccc2)o1 734200962 LASIUHWZCKKFFJ-KRWDZBQOSA-N 425.444 5.105 30 20 IKED C=CCOc1ccccc1CN(C(=O)CCCn1ccccc1=O)c1ccc(C)c(C)c1 734994457 OJJOSHFKTGESME-UHFFFAOYSA-N 430.548 5.044 30 20 IKED Cc1nccn1-c1ncccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 735036899 FLAPZUZLTFNGJF-UHFFFAOYSA-N 429.867 5.145 30 20 IKED CCn1c(C(C)=NNc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)nc2ccccc21 741458959 ZRLBDRPCAUAMIH-UHFFFAOYSA-N 432.549 5.034 30 20 IKED Cc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1NC(=O)OC(C)(C)C 742537440 JUTSKSROUODVSQ-HSZRJFAPSA-N 441.531 6.250 30 20 IKED C=CCOc1cn(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)Nc1c(C)cccc1C(C)C 746928224 IDSPBVKSOKACFK-LJQANCHMSA-N 447.535 5.053 30 20 IKED C[C@@H](OC(=O)c1ccc(Oc2ccccc2Cl)nc1)C(=O)N(CCC#N)c1ccccc1 747028789 FYAWQBJAOQIHKF-QGZVFWFLSA-N 449.894 5.019 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(Sc2ccccc2C#N)cc1 749023497 PAJDVFBSNOLPBX-OAQYLSRUSA-N 435.508 5.705 30 20 IKED Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)N[C@@H](CCC#N)c1ccccc1 749220405 BLVOMKOURCRTHQ-PMACEKPBSA-N 427.980 5.393 30 20 IKED CCOC(=O)c1ccc(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 751013523 HMBCBPFFIAFMGA-UHFFFAOYSA-N 447.516 5.345 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/Oc3cc(F)cc(F)c3C2=O)cs1 758029053 JAAUWJWGKQAAID-CAOOACKPSA-N 432.835 5.376 30 20 IKED Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)Oc1ccc(-c3ccc(C#N)cc3)cc1)CC2 758380788 OWGKCRKQTHPGGY-GOSISDBHSA-N 437.421 5.053 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)cc1 769945934 MAEWXFUIVIXVQN-XDHUDOTRSA-N 439.515 5.158 30 20 IKED O=c1c2c3c(sc2ncn1N=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCC3 771872890 XRJPHNLFSUAJAH-UHFFFAOYSA-N 445.388 5.257 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3NCc3cccnc3)n2)cc1 776084676 SJRAQRADQBZPFA-OAQYLSRUSA-N 440.528 5.316 30 20 IKED CC(C)c1ccccc1N(C(=O)Cc1ccccc1CC#N)c1nc2ccccc2s1 776739488 RQHPVFAYKKYODK-UHFFFAOYSA-N 425.557 6.393 30 20 IKED CN(CC1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1)C(=O)OC(C)(C)C 778261352 CGZTZSATFPXFGF-UHFFFAOYSA-N 449.551 5.070 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)c1 779103189 AKDHOYVDSONMMS-HJNYFJLDSA-N 429.358 5.140 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H]2c2ccc(Br)s2)c1 784322749 GLCTUGTZALNOKO-RDJZCZTQSA-N 448.386 5.238 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(CNC(=O)OC(C)(C)C)c1 786930690 UTDLECXWONFIIU-MRXNPFEDSA-N 425.554 5.358 30 20 IKED N#C[C@@H](C(=O)[C@H]1CCC(=O)c2cccn21)c1nc(-c2ccc(Cl)cc2Cl)cs1 789406793 YGLSHYAHGCBJAF-SUMWQHHRSA-N 430.316 5.312 30 20 IKED Cc1nc(SC(F)F)sc1CC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F 793799209 JWHDSTJMAXLNNB-LBPRGKRZSA-N 432.386 5.007 30 20 IKED N#C[C@H](C(=O)C1(Cc2ccccc2Br)CC1)c1nc2ccccc2n1C(F)F 796755499 FEEHZJALVNBLIP-CQSZACIVSA-N 444.279 5.393 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1 797624941 HGXWQXHIPCBFCM-QGZVFWFLSA-N 444.601 5.160 30 20 IKED C[C@@H](Cc1cncc2ccccc12)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 805856324 XNGOPWCRSUVUCE-YCRPNKLZSA-N 431.948 6.067 30 20 IKED N#C[C@H](C(=O)CCCc1ccccc1Cl)c1nc(O)c2c3c(sc2n1)CCCC3 810521084 KTFJUMMOEBSXIE-OAHLLOKOSA-N 425.941 5.128 30 20 IKED CC(C)(C(=O)Nc1cccc(OCC#N)c1)c1csc(-c2c(F)cccc2Cl)n1 811877743 CTDLRZBSTCQEFY-UHFFFAOYSA-N 429.904 5.421 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)O[C@H](c3ccccc3)c3cccc(Cl)c3)CC2)o1 813221807 WKRVAURNIJCSML-JOCHJYFZSA-N 435.911 5.057 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2(Cc3ccc(F)cc3)CCOCC2)cc1 814577774 RLEDCCLYZWZOKZ-RUZDIDTESA-N 443.522 5.395 30 20 IKED O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N1CCCSC1=Nc1ccccc1 821735904 LXXLURZWGPPGCL-UHFFFAOYSA-N 427.476 5.206 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccnc(OC3CCCC3)c2)cc1 915351581 ACSZDYKUJGZSRE-DEOSSOPVSA-N 426.520 5.380 30 20 IKED Cc1csc([C@H](C#N)C(=O)[C@@H](Oc2ccccc2Br)c2ccccc2)n1 916843663 AXFLWNFZOBXVCH-BEFAXECRSA-N 427.323 5.211 30 20 IKED Cc1ccc(Cl)c(O[C@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 916910805 UMLKFNYLEJBJDI-IEBWSBKVSA-N 448.906 5.556 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(C#Cc2ccccc2)cc1 916928867 WOTWOQFQPMLTEW-FQEVSTJZSA-N 433.294 5.354 30 20 IKED CC(C)c1nnc(S)n1N=Cc1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 917027567 DPFBVHQRPVHJLF-UHFFFAOYSA-N 436.972 5.138 30 20 IKED Cc1cc(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1Cl 920807001 VKKOSOMVSIGFGV-OCCSQVGLSA-N 432.879 5.694 30 20 IKED CO[C@@H](CN(Cc1ccc(C#N)cc1)c1ccc2nc(O)[nH]c2c1)c1ccc(Cl)cc1 1657632351 TWDQFVJAHSJWJU-QHCPKHFHSA-N 432.911 5.188 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)no3)CCC2)cc1 1786678521 WWKUXFLMBVJZTL-UHFFFAOYSA-N 447.560 5.009 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4c(-c5ccccc5)noc4C)cc3)CCC2)C1 1787265895 JHQBRZNBAZTNDP-UHFFFAOYSA-N 441.531 5.364 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccn4cncc4c3)CCC2)cc1 1789626346 KXNFREYADCMCOW-UHFFFAOYSA-N 430.552 5.074 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)/C(C)=C/c3cccs3)CCC2)cc1 1790563969 OIBSULMVUGQKSP-WBWKYDSYSA-N 439.581 5.086 30 20 IKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)c(F)c(Cl)c3)cc2)CCC1 1790774127 VVVDKMQHCWLFLO-NSHDSACASA-N 441.355 5.199 30 20 IKED C/C=C(\C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1791220647 NMPUHWJTHLNQJE-BLLMUTORSA-N 431.536 5.059 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccccc1C)C2 1798331410 MGFFIXKOISBZJH-BJESRGMDSA-N 443.591 5.077 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)s2)[C@@H]1c1cccnc1 1805527630 VXRZEFITDGAOBI-PXNSSMCTSA-N 446.016 5.109 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2csc(C)c2C)[C@@H]1c1cccnc1 1806045551 AQOHLPOAIKPVIW-IRLDBZIGSA-N 439.625 5.072 30 20 IKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCCCC(C)(C)C)[nH]n1 1815658216 WLNFEGNQUWJVMR-LJQANCHMSA-N 434.650 5.318 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](CCC)n2cccc2)n[nH]1 1818059235 GFMGKIDQLMDSQF-FCEUIQTBSA-N 437.588 5.013 30 20 IKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4ccccc34)n[nH]2)cc1 1818453491 UZJCCILMFAGYIM-XMMPIXPASA-N 449.514 5.054 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cccc(C)c3[nH]2)[nH]n1 1819307189 PPKKGULVGCMUGG-KNQAVFIVSA-N 445.567 5.274 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2OCC)CC1 1828827166 IYXAFOFNCNGKDS-UPVQGACJSA-N 438.612 5.087 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(C)cc2F)CC1 1828829551 JBWLVTYAQFYYQZ-RDPSFJRHSA-N 444.566 5.275 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(F)cc2)CC1 1831689662 KBMYUCKKADWIJY-RPBOFIJWSA-N 440.603 5.146 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ccccc23)CC1 1832028254 JXBKADWOMRMQCA-SANMLTNESA-N 430.592 5.267 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)c2cccs2)CC1 1832143491 JCNWGNLLSISMJX-TZIWHRDSSA-N 430.658 5.464 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(OC)c2C)CC1 1832537419 IXTRLQSCHCEXTB-HSZRJFAPSA-N 440.628 5.229 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2cc(C)n(C)c2C)[n+]2ccc(C(C)(C)C)cc2)c1 10174637 YYCDMDQRPYBGIP-UHFFFAOYSA-O 448.656 5.840 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2cccc(CC)c2)cc1 14872143 NTTSIJGDLGDQJK-UHFFFAOYSA-O 438.016 6.193 30 20 IKED C[C@@H](c1ccccc1)n1c(SCCCC#N)nc2ccc(Br)cc2c1=O 21182658 BFTJXHHWBKLBPA-AWEZNQCLSA-N 428.355 5.164 30 20 IKED CCCN/C(S)=C(/C(=O)c1ccccc1Br)[n+]1ccc(C(CC)CC)cc1 22804452 ZRXVKULWKCHAJR-UHFFFAOYSA-O 448.450 5.579 30 20 IKED C=CCn1c(S[C@H](C)c2nc(C(C)C)no2)nnc1-c1ccc(Br)cc1 27809584 CILJCCFQFUKJJC-GFCCVEGCSA-N 434.363 5.253 30 20 IKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc(C(C)(C)C)cc2)c1C 28793519 QBPGLDMDXGRPRZ-UHFFFAOYSA-O 448.612 5.470 30 20 IKED CC(=O)Nc1ccc(-c2csc(/N=C(\O)c3c[nH]c(=S)n3-c3ccccc3)n2)cc1 29114373 PXSZRZTUDMVQBO-UHFFFAOYSA-N 435.534 5.253 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C 62905380 YPBLLHWQZQBKFO-UHFFFAOYSA-N 441.560 5.441 30 20 IKED CN(C(=O)c1ccncc1)c1ccc(CNc2c(C#N)cnc3ccc(Cl)cc23)cc1 301388063 DNTRAGIMRCOALU-UHFFFAOYSA-N 427.895 5.044 30 20 IKED O=C(/C(=C(\S)Nc1ccc(SC(F)F)cc1)[n+]1ccccc1)c1cccc(Cl)c1 301581810 QIVUFHUGIUUXLJ-UHFFFAOYSA-O 449.955 5.993 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3coc(-c4ccc(Cl)cc4)n3)cc2)cc1 303174874 BYRRHFRLCNHDLA-UHFFFAOYSA-N 429.863 5.840 30 20 IKED CCn1c([C@@H]2CCCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)nc2ccccc21 303232496 YYXASBNSCDCQAZ-VWLOTQADSA-N 436.515 5.697 30 20 IKED C[C@@H](c1ccccc1Cl)N1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 303393651 PGUIQMQPUDXUJJ-MSOLQXFVSA-N 443.016 5.502 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)c1cccc(NC(C)=O)c1 409495697 YDMGXXDSPOLGLX-AWEZNQCLSA-N 448.336 5.005 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N(Cc3ccc(F)cc3)C3CCOCC3)cc2)cc1 427767357 XREVPYKXVUYORB-UHFFFAOYSA-N 444.506 5.505 30 20 IKED CC(C)N(Cc1ccc(Br)cc1)Cc1cn(CCC#N)nc1-c1ccncc1 435132710 KXAWZWJUKMAXJY-UHFFFAOYSA-N 438.373 5.032 30 20 IKED C=C(C)CN1CCC(NC(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)CC1 435966569 KRPLZKKDTPQYQY-QGZVFWFLSA-N 437.428 5.039 30 20 IKED COc1cc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)ccc1NC(C)=O 438665834 NWUYEXBCZVDJIE-UHFFFAOYSA-N 434.427 5.101 30 20 IKED C=CCn1c(S[C@H](C)c2ncc(Br)cn2)nnc1-c1ccc(Cl)cc1 439272512 KUELQYGIZNNMKG-LLVKDONJSA-N 436.766 5.190 30 20 IKED N#CCC[C@H](NC(=O)N(Cc1cc(Br)ccc1F)C1CC1)c1ccccc1 440244675 SJWWZTJLJNEWAK-FQEVSTJZSA-N 430.321 5.307 30 20 IKED CCN(C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[C@H](C)c1ccc(F)cc1 441703157 RYDAOAZKZFFKQA-MRXNPFEDSA-N 449.457 5.177 30 20 IKED CN(C)CC1CCC(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 442221398 YVYCLVVTMJBZRI-UHFFFAOYSA-N 440.975 5.033 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1F)C1CCCC1 447022015 WOEAYGRFACYXGV-OPAMFIHVSA-N 439.556 5.206 30 20 IKED C=C(C)CN1CCC(NC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)Cc2cccs2)CC1 465856079 FAAAGCOUCKHNEA-LJQANCHMSA-N 446.060 5.585 30 20 IKED CO[C@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(Cl)cc1 466089499 BPNQEYUDIWGKNL-XMMPIXPASA-N 449.938 5.494 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(C(F)(F)F)c(F)c2C)c1C#N 467866586 UXDAKVZRIFQQTG-UHFFFAOYSA-N 434.418 5.185 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CN[C@@H](c3ccccc3)C(F)(F)F)cc2)cc1 468745032 AKPOVXOLIHYRCN-QFIPXVFZSA-N 425.410 5.182 30 20 IKED C[C@H](O)C[C@H](CNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccccc1 468849560 GCCYBWRZYLRWKZ-LAUBAEHRSA-N 434.923 5.288 30 20 IKED CCCCN(CC)c1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 470849657 VAWJKBLOAFUDSN-UHFFFAOYSA-N 432.568 5.148 30 20 IKED CCC(C)(C)N(CCC#N)C(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 471166383 WVLJYLUKYQWBTE-UHFFFAOYSA-N 435.612 5.064 30 20 IKED Cc1c(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cccc1NC(=O)N(C)C 471325514 CZSTTWBCOUABBT-UHFFFAOYSA-N 448.910 5.658 30 20 IKED N#Cc1ccc(CSCC(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1 474276848 SKWKMVSHUAWTBI-KRWDZBQOSA-N 446.416 5.620 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 476138856 IKKWRTPSDCEOSX-LJQANCHMSA-N 444.497 5.545 30 20 IKED C=C(C)[C@H](NC(=O)N[C@H](C)c1c(C)nn(CC(F)(F)F)c1C)c1ccc(F)c(F)c1 477217586 XRNOMKXFIDEXKL-ZMZPIMSZSA-N 430.421 5.018 30 20 IKED CC(C)(C)c1ccc(-c2nnc(SCC(=O)NCCCCC#N)n2-c2ccccc2)cc1 481441046 UUYMPAYQSXTQQU-UHFFFAOYSA-N 447.608 5.134 30 20 IKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)Nc3nc4c(cc3C#N)CCCC4)c12 484166525 WHOWYQWCXSTPAI-UHFFFAOYSA-N 427.464 5.004 30 20 IKED Cc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccccc4Br)CC3)c2c1 488117545 QDGACUUOCOAXIA-UHFFFAOYSA-N 449.352 5.033 30 20 IKED O=C(N[C@H](CCc1ccccc1)C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 488348931 PZVPJBDUDMFCBR-GFCCVEGCSA-N 436.318 5.076 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 488374494 AEAKPEFHRHVKKD-CYBMUJFWSA-N 446.454 6.017 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)nnc1-c1ccccn1 488902900 WUOPGIBHIXXSEU-HNNXBMFYSA-N 437.956 5.996 30 20 IKED O=C(Nc1cc(F)c(OC(F)F)cc1F)N[C@H](c1c(F)cccc1F)C(F)(F)F 491322654 LZNLETCKGXXKCM-CYBMUJFWSA-N 432.242 5.270 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccc(Br)c(F)c1 494753638 ZMEHEHVCPVZYNU-ZDUSSCGKSA-N 436.350 5.646 30 20 IKED N#C[C@@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc(Cl)cc1 499844452 KRHICPNYWXGWJI-QGZVFWFLSA-N 429.701 5.016 30 20 IKED C[C@H]1Cc2ccc(Br)cc2CN1C(=O)Nc1ccccc1S[C@H](C)CC#N 499897855 VIOQADVATMMJQG-LSDHHAIUSA-N 444.398 5.822 30 20 IKED C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CC=C(c2ccc(C#N)cc2)CC1 502547408 BCLKIDAGFYKRKC-AWEZNQCLSA-N 433.861 5.347 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)CCc3nc4cc(C(F)(F)F)ccc4s3)CC2)cc1 503973666 QWPMMDSTFITSQN-UHFFFAOYSA-N 441.478 5.435 30 20 IKED N#C[C@@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1c(Cl)cccc1Cl 505546540 HGLUMQOUSSWITJ-MRXNPFEDSA-N 434.710 5.615 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 506617674 URRMLXQIOSAYBP-MRXNPFEDSA-N 437.392 5.122 30 20 IKED Cc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c(OC[C@H]2CCCO2)c1 508038316 CAMVEUFFGKXRGQ-XMMPIXPASA-N 442.515 5.256 30 20 IKED C=CCn1c(-c2ccccn2)nnc1N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 508711162 BFGYMYLDFGJWPX-UHFFFAOYSA-N 444.366 5.019 30 20 IKED CN(Cc1ccccc1)c1ccccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 509976228 KUOSGRFTYWLLEH-UHFFFAOYSA-N 440.547 5.270 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510004500 FOSRFXWJNUDCAB-XMMPIXPASA-N 442.950 6.311 30 20 IKED COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 510671249 ZPCUIJPDLUOKRV-HSZRJFAPSA-N 443.503 5.737 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1nc2ccccc2s1 513677532 XYALUSFUBRBKTC-NSHDSACASA-N 430.386 5.130 30 20 IKED COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 514762550 NEWMRHHCFJIGOU-DEOSSOPVSA-N 428.492 5.295 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2cccc(Cl)c2)c1)c1nc(-c2ccc(Cl)cc2)cs1 517306787 VPJFZTFRRMXTGP-GOSISDBHSA-N 439.327 5.793 30 20 IKED N#C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Cl)c(Cl)c1 517605584 LVDILBVXTLNAOC-OAHLLOKOSA-N 433.276 5.020 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(c4c[nH]c5ccccc45)CC3)cc2)c1 518259222 FQHRFZKDOFIGFV-UHFFFAOYSA-N 436.515 6.243 30 20 IKED Cc1oc(-c2cccs2)nc1CSCC(=O)Nc1ccccc1S[C@H](C)CC#N 518667229 YRDMIIZASWGYJF-CQSZACIVSA-N 443.619 5.978 30 20 IKED C=CCN(C(=O)Nc1c(C(C)C)cccc1C(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 518752487 QBGWJWILRZTRMP-LJQANCHMSA-N 432.572 5.690 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3ccc(Oc4cccc(F)c4)nc3)c2)c1 518772765 ATBVUFKDGDUGGD-UHFFFAOYSA-N 439.490 5.753 30 20 IKED Cc1nc(-c2ccccc2)c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)s1 518872633 SOCJXOORWHKETH-AWEZNQCLSA-N 437.496 6.010 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1nc2ccccc2n1C(F)F 519894147 BCHVEFDKNOTFMQ-MRXNPFEDSA-N 425.483 5.232 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 520827627 QUHBOJXHYFOORL-MRXNPFEDSA-N 447.560 5.119 30 20 IKED Cc1nc(Cc2ccccc2)sc1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 521966001 CYSIGXPCFTWIKB-UHFFFAOYSA-N 431.561 5.034 30 20 IKED Cc1[nH]nc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1-c1ccccc1 523949369 VSEXPJHJHBXKIU-UHFFFAOYSA-N 428.879 5.955 30 20 IKED C[C@H](Nc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1)c1ccccc1 524132863 UETIWRFGUWAPHB-IBGZPJMESA-N 437.499 6.156 30 20 IKED N#Cc1ccccc1N1CCCN(C(=O)Nc2cccc(CSC3CCCC3)c2)CC1 524629435 BEIFLAMSWBKUDE-UHFFFAOYSA-N 434.609 5.478 30 20 IKED CC(C)=CCSc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 524963041 XDTJOPATVPWXJE-UHFFFAOYSA-N 433.577 5.107 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@H](C)c2cc3ccccc3s2)n(Cc2ccco2)c1C 526944563 TXONJYDKHOSVEZ-MRXNPFEDSA-N 432.549 5.122 30 20 IKED N#Cc1ccc(OCc2nc(-c3ccc(-c4csc(-c5ccncc5)n4)cc3)no2)cc1 533756346 LZIYPQBIUDDAMJ-UHFFFAOYSA-N 437.484 5.373 30 20 IKED N#CC1(CCCSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)CCOCC1 538609656 LNWWZUWZVLSNHT-UHFFFAOYSA-N 438.984 5.780 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F 541445903 ACQYVFQYCGRYEJ-GTNSWQLSSA-N 429.414 5.642 30 20 IKED CCc1noc(-c2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)c(Cl)c2)n1 541550112 WHHHUZCKDSUXAC-UHFFFAOYSA-N 448.866 5.248 30 20 IKED C[C@@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C)c1ccc(C#N)cc1 548971140 LYKFXXPJLUVHAP-XYJBZRSYSA-N 436.987 5.186 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cc4ccccc4[nH]3)cc2Cl)c1 551705956 QLFOSFWOBSZHSO-UHFFFAOYSA-N 430.895 5.594 30 20 IKED CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)N2CCC(C#N)CC2)cc1 552248157 VWQKHEMLEUUNDA-UHFFFAOYSA-N 433.430 5.664 30 20 IKED N#Cc1cnc2c(F)c(F)c(F)cc2c1Sc1nnc(COc2ccc(Cl)cc2)o1 557477138 NHBCTPSTBGGBHX-UHFFFAOYSA-N 448.813 5.290 30 20 IKED CC(C)(C(=O)NCC1CCC(C#N)CC1)c1csc(-c2c(Cl)cccc2Cl)n1 567069585 MGIUCMWRSGYUKE-UHFFFAOYSA-N 436.408 5.841 30 20 IKED CSCC[C@@](C)(C#N)NC(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1 567308582 ZECVBWXEZQNBQF-DEOSSOPVSA-N 433.533 5.431 30 20 IKED COC(C)(C)c1nc(C)c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)s1 577430434 GPTZCVFKUPAVSX-CQSZACIVSA-N 431.970 5.600 30 20 IKED N#Cc1ccc(C[C@@H](C#N)c2nc(-c3cc(Br)cc(C(F)(F)F)c3)no2)cc1 589138236 IACACDKKCKZANQ-AWEZNQCLSA-N 447.214 5.239 30 20 IKED CC(C)c1nc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)nn1-c1ccccc1Cl 592974575 UMJTVVMUYFMICS-CYBMUJFWSA-N 439.903 5.283 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 603656409 VKDBETDUPKHWNK-UHFFFAOYSA-N 444.501 5.246 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604317354 LBTSDEILAHUAPZ-CHWSQXEVSA-N 437.384 5.376 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)cc1 608840688 DQAGGVOZEPLJJI-UKILVPOCSA-N 443.503 5.401 30 20 IKED N#Cc1c(NC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)sc2c1CCCCCC2 609031331 FLRHMKSFXMZVQS-UHFFFAOYSA-N 435.593 5.337 30 20 IKED CC(=O)Nc1ccc2nc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)sc2c1 609316900 WDLPPSOAWUOTJT-UHFFFAOYSA-N 446.463 5.310 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCCC[C@H]3c3cc4ccccc4[nH]3)cn2)c1 609398993 CKNUICJHEPKRGM-DEOSSOPVSA-N 437.503 5.986 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3c3ccccc3)c2)cc1 609942672 SSJLPQGOXZWJGL-JWQCQUIFSA-N 439.515 5.132 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)c1C 610054027 JAKUPLRMNKTDTE-FQEVSTJZSA-N 436.515 5.434 30 20 IKED CC(C)N(Cc1ccc(NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1)C[C@@H]1CCCCO1 618765569 KRAKKSGGMFWROS-AZGAKELHSA-N 446.595 5.147 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2cccc(C(C)=O)c2)C(C)C)nnc1-c1ccccc1 637751506 AUZYXBGHYPGNRQ-NRFANRHFSA-N 434.565 5.089 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 642282328 DKXMRRIYOSTKET-GFCCVEGCSA-N 440.431 5.137 30 20 IKED C=CCn1c(SCCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1cccc(C)c1 644492800 VXIZRPYXSYXTEC-UHFFFAOYSA-N 430.936 5.353 30 20 IKED O=C(N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)C1(Cc2cccc(F)c2)CCCCC1 672951234 LACPDWWTSCVYLE-HOTGVXAUSA-N 425.388 5.518 30 20 IKED CC(C)(NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)c(F)c1 674328524 LMGOIQRQJIRPJZ-GDNZZTSVSA-N 432.355 5.409 30 20 IKED CCOCCCn1c(NN=C(C)c2cc(Cl)sc2Cl)nc2ccccc2c1=O 725843256 DQPCBUPKXFVLAP-UHFFFAOYSA-N 439.368 5.028 30 20 IKED C=CCn1c(S)nc2cc(C(=O)Nc3ccc(SC(C)(C)C)cc3C)ccc2c1=O 725905013 SYDIYOYAIFLNHF-UHFFFAOYSA-N 439.606 5.323 30 20 IKED C#Cc1cccc(NC(=S)NC[C@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)c1 726442496 BFTMJUQPQKKBMP-HSZRJFAPSA-N 425.557 5.276 30 20 IKED C=C(C)COc1cc(/C=C2\SC(=S)N([C@@H](C)c3cccs3)C2=O)ccc1OC 726631046 ZQJCXSFLBLACMM-KVMVOAJRSA-N 431.604 5.674 30 20 IKED N#CCCCOc1cccc(/C=C/C(=O)c2ccc(Br)cc2Br)c1 726741315 DUZGSVALUPLPPH-RMKNXTFCSA-N 449.142 5.790 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](NC(=O)CC(C)C)c3ccccc3)n2)cc1 727627716 PNTVGHDAIYGRKE-NZQKXSOJSA-N 431.561 5.198 30 20 IKED CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)n1 727708800 JMXCJXVIYUOITO-QHCPKHFHSA-N 436.515 5.942 30 20 IKED Cc1cc(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C)n1-c1ccc(C#N)cc1 728269386 KJFSKYJXYDDADA-IYBDPMFKSA-N 443.391 5.169 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)[C@@H](C#N)c1ccc2ccccc2n1)c1ccccc1 729891285 XYGJQUNRZRAWRY-UNMCSNQZSA-N 429.520 5.457 30 20 IKED COc1cc(F)c(NC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC 730503930 ISKPQMRLPKHBNJ-ONEGZZNKSA-N 437.311 5.532 30 20 IKED Cc1c(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)oc2c(F)cccc12 731068941 GLPDKCPNPJRBBT-CYBMUJFWSA-N 426.469 5.070 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H](O)c2ccc3ccccc3c2)cc1 731831416 QUPWHZUVXFVRRL-VWLOTQADSA-N 438.552 5.467 30 20 IKED CCCOc1ccc(NC(=O)NCc2ccc(OC)c(O[C@@H](C#N)CC)c2)cc1Cl 733625700 VSPABDRKQBGLNZ-QGZVFWFLSA-N 431.920 5.140 30 20 IKED C=CCN(C(=O)CCCn1ccccc1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 734994367 PRHAVADAJYEEAH-UHFFFAOYSA-N 448.375 5.278 30 20 IKED C=CCN1C(=O)N[C@@H](c2cc(C)ccc2F)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 735026294 BBJAJYYZEHLJPA-FQEVSTJZSA-N 447.432 5.318 30 20 IKED N#CCOc1ccc(Cl)cc1COC(=O)COc1ccc(C2SCCCS2)cc1 735338931 DKDJZFUSYIDLMK-UHFFFAOYSA-N 449.981 5.233 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)ccc1OC 737553124 KPVAVAZLINZVHN-BEFAXECRSA-N 434.458 5.205 30 20 IKED Cc1cc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)ccc1OC1CCOCC1 737995832 ZJXHQKFGOHRHFN-UHFFFAOYSA-N 429.520 5.084 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccc(C(=O)NC4CCCC4)cc3)c2)s1 740440423 OISCANFEWJXUHU-UHFFFAOYSA-N 444.560 5.281 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)cc1OC 746546693 IWSSPSDGCAKUTD-GHXNOFRVSA-N 431.492 5.148 30 20 IKED CCOc1cc(C=NOCc2cccnc2)cc(Br)c1OCc1ccccc1 746587298 AMJMCAXUJBOKQY-UHFFFAOYSA-N 441.325 5.373 30 20 IKED C=CCc1cc(/C=C(/C(=O)Nc2cccc(OC)c2)C(=O)c2ccccc2)cc(OC)c1O 747064148 UGRRCFLZHCACJA-HZHRSRAPSA-N 443.499 5.043 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)cc1 747108924 MXFOPJKKMMXTIU-IBGZPJMESA-N 438.842 5.241 30 20 IKED CN(c1ccccc1)c1ccc(/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)cc1[N+](=O)[O-] 748583638 IGONODIBFHQSST-ZSOIEALJSA-N 443.459 5.215 30 20 IKED CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 748834835 RYPWESAOZUWOGL-HXOBKFHXSA-N 427.570 5.236 30 20 IKED CCCOc1c(Cl)cc(C=NO[C@H](C)C(=O)Nc2cc(F)ccc2F)cc1OCC 749522627 FYCIGYHHQQBNBN-CYBMUJFWSA-N 440.874 5.183 30 20 IKED Sc1nnc(-c2ccccc2)n1N=Cc1nc(-c2cc(Cl)ccc2Cl)cs1 755521029 LMGPORODMNGXPQ-UHFFFAOYSA-N 432.361 5.546 30 20 IKED C#CCN(Cc1ccc(F)cc1)Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1 756500899 KFNANIPJDBDJRB-UHFFFAOYSA-N 427.932 5.256 30 20 IKED COc1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1OC1CCCC1 757959872 IRWXWLJOEXUZBA-UHFFFAOYSA-N 430.508 5.046 30 20 IKED CC(C)Cc1ccc([C@H](C)C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 759427280 WELPIPKTKIDOGB-HNAYVOBHSA-N 433.577 5.454 30 20 IKED C[C@@H](NC(=O)c1c(C(F)(F)F)ccnc1Cl)c1ccc(-c2cccc(C#N)c2)cc1 760030811 MGURWGQFPVVPEY-CYBMUJFWSA-N 429.829 5.783 30 20 IKED CSc1cccc([C@H](NC(=O)Cc2cccc(OCC#N)c2)c2ccc(F)c(F)c2)c1 760512947 YETPZZBZCITWJZ-DEOSSOPVSA-N 438.499 5.037 30 20 IKED COc1cc(OC)c(OC)cc1CN(Cc1cc(Cl)ccc1OCC#N)C(C)(C)C 761930540 LIJOXLIVKAPZLA-UHFFFAOYSA-N 432.948 5.069 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/C(=O)c3cccc4c3[C@@H]2CCC4)cs1 763291356 XAVDBNOPOZYECH-MRUVXERFSA-N 434.948 6.181 30 20 IKED Cc1ccc(-c2nc(CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cs2)cc1 764752885 ZMILTJRBWTXJJI-UHFFFAOYSA-N 447.347 5.375 30 20 IKED Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1 769878422 DUWQJGGVLSSDAZ-UHFFFAOYSA-N 444.516 5.056 30 20 IKED O=C1C=CC=N/C1=C(\O)NCCN[C@H](CC1CCCC1)c1ccc(Oc2ccccc2)cc1 772985022 PZRQDBSCUFOPDR-IHZKLZTASA-N 445.563 5.216 30 20 IKED N#C[C@@H](C(=O)c1cccc(C2OCCO2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 775226025 DCGHBUOQRHMKRV-INIZCTEOSA-N 445.327 5.652 30 20 IKED C[C@H](Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1)c1ccc(OCC#N)cc1 777667349 OUGJRCJOOCGJMJ-FQEVSTJZSA-N 425.532 5.284 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1 781762890 UVWIYHFYBXPXGR-CQSZACIVSA-N 448.693 5.571 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NOCc1ccc(F)cc1Br 782040759 WRIHKACMUJSCFQ-LBPRGKRZSA-N 438.322 5.093 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2cnn(C(C)(C)C)c2C)cs1)c1ccc(F)cc1F 787186386 OFHZFSSEQNMPDV-CLFYSBASSA-N 444.507 5.262 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1cc(C(F)(F)F)cnc1Cl 790637635 ZJMXEJXLQJJBEU-UHFFFAOYSA-N 449.610 5.006 30 20 IKED C=CCC1(C(=O)OCc2csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n2)CCC1 791564340 ITNZYMFEBPHTHN-UHFFFAOYSA-N 438.471 5.636 30 20 IKED N#C[C@H](C(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)c1cnc2ccccc2n1 792105372 VZIXFTIQJZFCJF-XDHUDOTRSA-N 431.854 5.419 30 20 IKED COc1cccc(C(=O)CCCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 796756909 QLTNDQFOTUMNAQ-MRXNPFEDSA-N 446.450 5.553 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)C[C@@H]3CCC(F)(F)C3)s2)c(C(F)(F)F)c1 797835337 SAYGXQSWBNWGCH-NSHDSACASA-N 429.414 5.388 30 20 IKED C[C@@H](NC(=O)[C@H](C#N)C(=O)c1ccc2c(c1)CCCCC2=O)c1ccc(Cl)cc1Cl 810709473 BKMDYWJZTMSEJR-BFUOFWGJSA-N 443.330 5.102 30 20 IKED COc1ccc2nc(Cl)c(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)cc2c1 813278551 KTGJLRSLFDSITL-UHFFFAOYSA-N 430.851 5.208 30 20 IKED C[C@H](CC(=O)N[C@H](CCCC#N)c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 817319220 MDZLRABLELAYHO-DENIHFKCSA-N 427.589 5.211 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2ncnc3sc4c(c23)CCCC4)cc1 830493475 YRCGFJNQAHUIEQ-INIZCTEOSA-N 436.606 5.306 30 20 IKED CCOc1ccc(-c2nc(C(=O)N3CCSC3=Nc3ccccc3OC)cs2)cc1 914775588 VSPCOMYTUUVDJM-UHFFFAOYSA-N 439.562 5.094 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(C3SCCCS3)cc2)cc1 915087811 XOGBTFYVXVMUGZ-HSZRJFAPSA-N 430.598 6.463 30 20 IKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(F)c1 915352828 KEAHAJDNXJAUCH-RPWUZVMVSA-N 439.494 5.126 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)cc1 916213148 ZXGARLVWKQJLMW-SFHVURJKSA-N 447.482 5.137 30 20 IKED CCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OCC)cc1 916214124 JFZYRPJFBIOHJH-OAQYLSRUSA-N 439.581 5.072 30 20 IKED N#C[C@H](C(=O)CCCc1ccc(Cl)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 916846595 ZSWRCRJEQXZIBL-MRXNPFEDSA-N 425.941 5.128 30 20 IKED Cc1csc(SCc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc2)n1 916884359 BXFZAZATWRLSON-GOSISDBHSA-N 441.965 5.358 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc2cccc(F)c2c1COC 916906841 KGHNNRFTZYZLRY-MRXNPFEDSA-N 438.524 5.273 30 20 IKED Cc1ccc(N2C[C@@H](C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)cc1 916977314 PUCDABRQAMLPDX-LPHOPBHVSA-N 435.936 5.001 30 20 IKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 917045403 ZDQBJLOCXYOCOI-CJNGLKHVSA-N 443.981 5.195 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc3ccccc3c2)cs1 917561982 SPPUDPWSMSWIRS-JLHYYAGUSA-N 432.932 6.530 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@@H](C#N)c1ccc2ccccc2n1 920106111 KQRTZKVANCUFDD-KXBFYZLASA-N 447.947 6.041 30 20 IKED O=C(C#Cc1ccccc1)Nc1ccc(C2(NC(=O)c3cccc4cnccc34)CCC2)cc1 1787779640 WMSIKEDTIIYASL-UHFFFAOYSA-N 445.522 5.034 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Cc3ccccn3)CCC2)cc1 1789458258 SGITZLQWJQPVAU-RDPSFJRHSA-N 431.580 5.163 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cccc4ccncc34)CCC2)cc1 1791300209 JDXYFLHNBWPAPG-UHFFFAOYSA-N 435.474 5.194 30 20 IKED Cc1c(Cl)ccc(C(=O)Nc2ccc(C3(NC(=O)CCC#N)CCC3)cc2)c1Cl 1792090456 VEILPJLTOCOVOL-UHFFFAOYSA-N 430.335 5.353 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2c1oc1ccccc12 1801202423 WXMPKGCDPIUZBY-WOZUAGRISA-N 442.559 5.606 30 20 IKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(C)c(Cl)c3)C2)CC1 1805080984 UWVHTQJWSMUELU-UHFFFAOYSA-N 429.004 5.262 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3sccn3c2)[nH]n1 1814441757 FWMLOYJCILRYJW-SFHVURJKSA-N 439.585 5.022 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2CCC(F)(F)CC2)n[nH]1 1815019984 GHDYUWXFPFUNHX-SFHVURJKSA-N 436.547 5.220 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(F)c(F)c2C)[nH]n1 1819311287 UEOARPGFVLAMAH-JXFKEZNVSA-N 442.510 5.071 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C)cc2OC)n[nH]1 1823160902 FQUONSYGYRBNFD-FQEVSTJZSA-N 438.572 5.025 30 20 IKED Cc1csc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1824681367 HOTLXXOKHHFUIL-AUSIDOKSSA-N 449.620 5.231 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(C)cc2F)CC1 1828829549 JBWLVTYAQFYYQZ-GBXCKJPGSA-N 444.566 5.275 30 20 IKED COc1ccc(-n2c(SCc3cc(C#N)ccc3F)nnc2-c2ccccc2OC)cc1 10243258 DDDNDYQOLSMGMM-UHFFFAOYSA-N 446.507 5.255 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)n1 10399568 ILIJRQPSMAZLJR-SNVBAGLBSA-N 431.386 5.001 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)ccc1C)=C(/S)Nc1cccc2ccccc12 11126951 GVTQLPDPSWBHMA-UHFFFAOYSA-O 439.604 6.357 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)n(C)c1C)=C(/S)Nc1ccc(C(C)C)cc1 11263487 HXNVJSJTZZOGOG-UHFFFAOYSA-O 434.629 5.666 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccccc2)cc1 22730060 ULKWZNKUJAFVGI-UHFFFAOYSA-O 439.551 6.207 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccc(OC)cc2)cc1 22731260 SWCOVALLHZYIRU-UHFFFAOYSA-O 433.597 5.719 30 20 IKED Cc1ccc(-c2nc(CC(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cs2)o1 32291249 DWVDIVCNHTWTCV-UHFFFAOYSA-N 429.501 5.343 30 20 IKED N#Cc1cccc(OCCSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)c1 71960112 URAQDGPZPDVJFT-UHFFFAOYSA-N 436.924 5.283 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1csc(-c2ccoc2)n1 78665707 OTGAVRSJUONGJZ-UHFFFAOYSA-N 428.514 5.191 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)nc2ccccc21 109921681 HYZAHZAXFXHHJS-UHFFFAOYSA-N 448.573 5.267 30 20 IKED N#Cc1ccc(NC(=O)CCN2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1Cl 110982804 SUXQFNRKOHNTDI-UHFFFAOYSA-N 443.334 5.214 30 20 IKED N#C[C@H](C(=O)CCCc1ccc2c(c1)-c1ccccc1C2)c1nc2ccccc2n1C(F)F 215644560 DEJRHHSOVDQLKR-JOCHJYFZSA-N 441.481 6.202 30 20 IKED C[C@@H](Sc1nc(-c2ccc(F)cc2)cs1)C(=O)Nc1sc2c(c1C#N)CCC2 218626954 KYNDWWPWWPVRKB-LLVKDONJSA-N 429.567 5.490 30 20 IKED CC1CCN(c2ccc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cn2)CC1 303108278 ASWCTLIKZHMTDH-UHFFFAOYSA-N 442.538 5.171 30 20 IKED CC(C)n1c([C@@H](C)NC(=O)c2ccc(COc3ccccc3C#N)o2)nc2ccccc21 303694679 MZFFWROLLPVGKN-QGZVFWFLSA-N 428.492 5.152 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(Oc2ncccn2)cc1C 303864086 WWWKCAREDCZZMD-UHFFFAOYSA-N 429.398 5.413 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2C#N)cc1NC(=O)c1ccc(Br)cc1 409607540 IXEJMQSLFBRQRP-UHFFFAOYSA-N 434.293 5.134 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F 432069404 MQOAIOHYNYBXRX-AWEZNQCLSA-N 444.734 5.372 30 20 IKED CCOC1(C)CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 432851113 JFFWRIDYEQUZCL-UHFFFAOYSA-N 427.932 5.214 30 20 IKED CCOc1ccc([C@H](CNC(=O)c2cc(C#N)cs2)c2c[nH]c3ccccc23)cc1OC 437400548 MSIIUXLYTSWCJN-IBGZPJMESA-N 445.544 5.070 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 437407881 PKCDVCKQQWELIM-KESTWPANSA-N 440.421 5.425 30 20 IKED C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 437464998 DEQKYUBNDAMLOG-MGPUTAFESA-N 429.451 5.336 30 20 IKED Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 437905584 FLEJIWDNXKFOBN-UHFFFAOYSA-N 428.492 5.313 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 438655146 XOHPWEXCCMBAMF-VXKWHMMOSA-N 432.911 5.831 30 20 IKED CCn1c(NC(=O)c2c(-c3ccc(Cl)cc3Cl)noc2C)nc2cc(C#N)ccc21 439083480 GTXNDPGCEWYZTG-UHFFFAOYSA-N 440.290 5.450 30 20 IKED CCO[C@@H](C)c1nc(CN(C)c2c(C#N)cnc3c(Br)cccc23)cs1 440631877 AGGHYVCYNNYUAI-LBPRGKRZSA-N 431.359 5.059 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccnc(-c2ccc(Br)cc2)n1 441913214 XGHMJIQWMMAQPZ-FCHUYYIVSA-N 433.353 5.178 30 20 IKED CCO[C@H](C)c1ncc(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)s1 443875832 FLNIGDPHPWLCBE-OAHLLOKOSA-N 425.941 5.613 30 20 IKED C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 444413542 UFANNCZHTHKKQP-KSFYIVLOSA-N 433.895 5.001 30 20 IKED Cc1cc2c(SCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccccc3)ncnc2s1 447335676 PKLCRMLPJOMHMJ-UHFFFAOYSA-N 447.589 5.069 30 20 IKED Cc1cc(C[C@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)n(-c2ccccc2)n1 448373514 QQZNPUMNWNCWSK-MSOLQXFVSA-N 433.581 5.185 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 464472636 FCVBZSHHXRDEQC-INIZCTEOSA-N 432.833 5.106 30 20 IKED C[C@H](NC(=O)N(Cc1ccccc1OC(F)(F)F)C1CCCC1)c1ccc(C#N)cc1 465652164 FEJDODLUHVJQJT-INIZCTEOSA-N 431.458 5.672 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3cc(-c4cccc(C#N)c4)no3)s2)cc1 469183367 ZYTIYAXQMKUVNZ-AWEZNQCLSA-N 444.516 5.145 30 20 IKED N#C[C@H](C(=O)c1cc(Oc2cccc(Br)c2)ccn1)c1nc2ccccc2o1 474825532 MCALCAAUPNAHGP-MRXNPFEDSA-N 434.249 5.268 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(Oc2c(OC)cccc2OC)CC1 475559155 NPDCGWUIARZJSO-UHFFFAOYSA-N 438.568 5.631 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1 476081202 SFBKAMBMTYLPHM-UHFFFAOYSA-N 447.600 6.073 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccc(NC3CCOCC3)cc2)cc1 479573612 LHWBGVAEJKTOAT-UHFFFAOYSA-N 429.545 5.553 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1ccccc1-c1ccccc1C#N 479789627 PAZHVXNUEZGJDR-AWEZNQCLSA-N 426.442 5.092 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1cc(C)n([C@H](C)C2CC2)n1 480663430 WWAXSMCFZZRPMZ-GOSISDBHSA-N 429.524 5.566 30 20 IKED N#C[C@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)c1nccc2ccccc12 483188834 BMMGSEGCPIZILX-QFIPXVFZSA-N 433.442 6.186 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)Nc1c(F)cccc1F 484558396 ARHOZYOPUFNWMA-UHFFFAOYSA-N 427.476 5.556 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ncc(Cc2ccc(C)c(C)c2)s1 484569283 LBBVBIAOEZXDCO-UHFFFAOYSA-N 425.554 5.046 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)cc1Cl 486734457 MMQUJEHRZWKETD-XPWALMASSA-N 449.982 5.363 30 20 IKED C=CCn1c(S[C@H](C)c2nc3ccccc3n2C(F)F)nnc1-c1ccccc1C 488894487 IDFPGHMLJFOWOX-OAHLLOKOSA-N 425.508 6.038 30 20 IKED N#C[C@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(Cl)cc1 499834147 BUJDVIAYDHFAFK-QHCPKHFHSA-N 444.897 5.255 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1sc(-c2ccccn2)nc1C 500741533 HQSDQMXQXNIDCX-UHFFFAOYSA-N 426.501 5.738 30 20 IKED CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 500882099 DJLBKECXQIASKH-UHFFFAOYSA-N 435.936 5.964 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 501581809 ICODCZYWQNWRQF-LEWJYISDSA-N 436.474 5.215 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc2c(c1)CC(=O)N2 506207058 KXEFFMFIPYEUMV-VFNWGFHPSA-N 444.922 5.373 30 20 IKED COc1ccc([C@@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1F 509891071 QLDKOTFBWNUKHH-QGZVFWFLSA-N 433.483 5.362 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 511634713 OWPBMTBPVIQVQO-UHFFFAOYSA-N 442.346 5.290 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1nc(-c2ccncc2)cs1 512958585 KWDSCKGWGGYKPE-CQSZACIVSA-N 440.315 5.188 30 20 IKED Cc1noc(C)c1COc1ccc(CC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 515321908 LSISWRMQYPFPPB-UHFFFAOYSA-N 444.516 5.047 30 20 IKED N#CCSc1ccccc1NC(=O)CN[C@@H](c1ccc(F)cc1)c1ccccc1Cl 515664294 OQFWOAHHVIUJNM-QHCPKHFHSA-N 439.943 5.412 30 20 IKED N#Cc1cccc(CNC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c1 517148690 GUXRNXMCZOXFEN-UHFFFAOYSA-N 425.319 5.172 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OCc4cccs4)c3)n2)cc1 517800752 GJAMKQIYJHCTBP-NRFANRHFSA-N 446.553 5.949 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccc(Cl)cc4)n3)n2)cc1 518516429 BNQVCZQEWNXTND-QGZVFWFLSA-N 446.944 5.949 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCc2c(Br)cccc21 520195515 AZDLZJOTYALWOQ-DYVFJYSZSA-N 430.371 5.652 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(Cl)cc(Br)c1OC 520596944 LJVXPXBBHJOVQH-UHFFFAOYSA-N 439.737 5.340 30 20 IKED Cc1c(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)sc2ccc(C#N)cc12 520702582 GLRLJOKNWWQFLL-UHFFFAOYSA-N 440.550 5.617 30 20 IKED C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 521733268 CKDLFBTXHXEIOK-GFCCVEGCSA-N 428.863 5.771 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(CC)o2)nc2sc(-c3ccccc3)c(C)c2c1=O 521958328 ZGYKNJTWDDUEMY-AWEZNQCLSA-N 438.578 5.418 30 20 IKED CC[C@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccccc1OC(F)F 522079170 LSEBNXCTINGRKY-QLOJAFMTSA-N 443.494 5.300 30 20 IKED C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 523013937 UBDLWCKNQYKXIV-WMZHIEFXSA-N 443.522 5.881 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccccc1O[C@@H](C)c1ccccc1 523804152 GSRGRMCDZYVALR-FQEVSTJZSA-N 441.531 5.076 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 524381325 YSANHRNFDWMQCY-MRXNPFEDSA-N 443.528 5.653 30 20 IKED N#CCC[C@H](NCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccccc1 532669901 ATEOLUPMVSUXAO-QHCPKHFHSA-N 438.358 6.380 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCCN(C)c2ccc(Cl)cc21 533388788 BCZRZEKPSWDEFT-INIZCTEOSA-N 428.989 5.019 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1cncc2ccccc12)c1ccc(C(F)(F)F)cc1 535390734 XKJLMCBNRLLCTN-IBGZPJMESA-N 427.426 5.016 30 20 IKED CC[C@H](C)n1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1C1CC1 535518285 CFQUZTOICUZVFU-INIZCTEOSA-N 448.954 6.088 30 20 IKED Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 538655541 MNXWLXUKVPNKBW-LBPRGKRZSA-N 429.517 6.043 30 20 IKED CCCN1C(=O)CCc2cc(NC(=O)c3ccccc3Sc3ccccc3C#N)ccc21 540249564 SVPNYJUIAUBGDR-UHFFFAOYSA-N 441.556 5.651 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3nnc4n3CCCCC4)c3ccccc3n2)c(C)c1 541876554 KGYBZQDHQOTTQE-QFIPXVFZSA-N 435.531 5.327 30 20 IKED CCC(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 543057245 BSXYHNOKMDJRQY-INIZCTEOSA-N 429.328 6.200 30 20 IKED C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC(OC(C)C)CC1 548853293 BBQJVSZNASFOOG-UHFFFAOYSA-N 432.568 5.104 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCOc2ccc(Br)cc2C1 549243823 KCVDCLSKFFPJSX-AWEZNQCLSA-N 446.370 5.127 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3cnc(OC4CCCCC4)c(Cl)c3)CC2)cc1 550293232 HXASZMZMXOKSHM-UHFFFAOYSA-N 439.943 5.002 30 20 IKED C[C@H](Oc1ccc2ccccc2c1)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccccc1 567253967 VXVZHDCWXRDLQA-PMACEKPBSA-N 425.536 5.215 30 20 IKED Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c12 587988698 HJXOESBLCVYBOX-INIZCTEOSA-N 444.903 5.951 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3nc4ccccc4cc3Br)cn2)c1 588870499 NFWPACMKLJDJJU-UHFFFAOYSA-N 445.276 5.309 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NC[C@H]3CCN(c4ccc(Cl)cc4)C3)cc2)ccn1 589367337 XTVMJUVSXBPHKU-QGZVFWFLSA-N 447.926 5.047 30 20 IKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCO[C@H](c2cccc(F)c2)C1 589708858 PRGUSKGLJUCCGM-INIZCTEOSA-N 436.327 5.469 30 20 IKED Cc1noc(C(C)C)c1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 603757500 NYDFXTQNKGZZFC-UHFFFAOYSA-N 434.443 5.297 30 20 IKED N#Cc1cc(NC(=O)COC(c2ccccc2)c2ccccc2)ccc1OCC(F)(F)F 603897423 GQMBIAXMIDVPDB-UHFFFAOYSA-N 440.421 5.244 30 20 IKED Cc1c(C(=O)Nc2sc(-c3ccccc3)cc2C#N)sc2nc(C(F)(F)F)ccc12 603968922 MKAFGGQJUOUWDT-UHFFFAOYSA-N 443.475 6.476 30 20 IKED Cc1oc(-c2cccs2)nc1CC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 603991559 MMMPJWKEXISOHM-UHFFFAOYSA-N 431.542 5.592 30 20 IKED N#Cc1cnc2c(F)ccc(Cl)c2c1N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604270806 SBELXNYLTJOGQM-NXEZZACHSA-N 425.735 5.466 30 20 IKED Cc1ccc(C)c([C@H](C)N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 604500699 XPTPYOCFJQSLTH-IBGZPJMESA-N 426.520 5.652 30 20 IKED Cc1cc(Sc2ncccn2)ccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 609059942 PVIQBSZXTKCETK-UHFFFAOYSA-N 442.500 5.232 30 20 IKED CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609175867 KPABEWISPWKTQQ-HSZRJFAPSA-N 447.922 5.397 30 20 IKED C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1cc2ccccc2n1CC#N 609216299 HVFYXIKQLYKGEV-IRXDYDNUSA-N 448.954 5.474 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 609377454 FZUOFWGPFFTIOG-HNNXBMFYSA-N 425.941 5.818 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)nnn1-c1cccc2cccnc12 609442922 VWZDAHSARKXNJC-UHFFFAOYSA-N 446.470 5.040 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@H](c4cc5ccccc5[nH]4)C3)c2)c1 609660210 VOAKIRJQSPHGFN-DEOSSOPVSA-N 435.527 5.638 30 20 IKED COc1ccc2c(c1)c(C(=O)Nc1cc(C#N)ccc1OC)c(C)n2Cc1ccccc1 609970175 YKTSFDZTFNIHLB-UHFFFAOYSA-N 425.488 5.139 30 20 IKED C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 610122456 XCRBFNLLYFKOJS-JOCHJYFZSA-N 439.559 5.282 30 20 IKED N#CC1(C(=O)NC[C@H](c2ccc(Cl)cc2Cl)c2c[nH]c3ccccc23)CCCC1 610422297 VNIMXHCSRQFKOV-GOSISDBHSA-N 426.347 5.807 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnn1-c1ccccc1 613404402 LNSJHEQXAWVOGK-OAHLLOKOSA-N 426.423 5.299 30 20 IKED CC(C)(C#N)c1ccc(CN[C@@H](Cc2ccccn2)c2ccc(Br)cc2)cc1 616121260 VFAZLNCSTLQUDE-QHCPKHFHSA-N 434.381 5.719 30 20 IKED C[C@@H](Oc1ccc2ccccc2c1)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccccc1 619817478 JIDJWFDFRQNONV-BCHFMIIMSA-N 441.510 5.062 30 20 IKED N#C[C@H](C(=O)c1cc(Br)c2ccccc2c1)c1nc2ccccc2n1C(F)F 645955578 PDMWMYCXIMKXMR-OAHLLOKOSA-N 440.247 5.837 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1SCc1nc2ccccc2c2ccccc12 680335171 NGIBWXKMMGURQW-UHFFFAOYSA-N 443.620 5.486 30 20 IKED O=C(NCc1cc(F)c(Cl)cc1F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 683976262 IIHGRUGMQNHXNU-RKDXNWHRSA-N 438.746 5.327 30 20 IKED C[C@H]1CN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@H](F)C(F)(F)F)(C4)C3)CCC1(F)F 685888908 MLDFDVFYQZMMLT-YQSVLCHSSA-N 447.410 5.612 30 20 IKED C#Cc1cccc(N2C(=O)/C(=C\c3ccc(OC(F)F)c(OCC)c3)SC2=S)c1 726627504 RAFAYJDNXSEROC-LDADJPATSA-N 431.485 5.074 30 20 IKED C#Cc1cccc(N2C(=O)/C(=C/c3csc(-c4ccc(OC)cc4)n3)SC2=S)c1 726627672 SFOURBODFRJHIT-UNOMPAQXSA-N 434.567 5.206 30 20 IKED C=CCSc1ccccc1NC(=O)COC(=O)c1c(NC(=O)C(C)C)sc(C)c1C 727529792 RTWJKZADCYAWAK-UHFFFAOYSA-N 446.594 5.033 30 20 IKED CC(=O)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1C 728062516 LOIZNOYOGWILKJ-GOSISDBHSA-N 427.504 5.087 30 20 IKED N#Cc1cccc(COc2ccc(N[C@@H]3CC(=O)N(c4ccc5ccccc5c4)C3=O)cc2)c1 728063089 VTZQOHRAUYIKTQ-AREMUKBSSA-N 447.494 5.034 30 20 IKED CN(Cc1ccccc1)c1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 729034951 VDACSZVFEBAOAG-UHFFFAOYSA-N 440.547 5.270 30 20 IKED COc1cccc([C@H](C#N)NC(=O)CCN2c3ccccc3Sc3ccccc32)c1OC 729426342 QASNENMHESSERF-SFHVURJKSA-N 445.544 5.078 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)-c1ccccc1C2 731063522 OOERWNJCQDFLPJ-QGZVFWFLSA-N 442.540 5.448 30 20 IKED C[C@H](NC(C)(C)CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 731752626 LATVPIICIRPINP-NBGIEHNGSA-N 426.564 5.593 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Nc1ccc(OCc2ccccn2)c(Cl)c1 732919268 ZSGIHZIBQRODRL-QGZVFWFLSA-N 441.984 5.391 30 20 IKED C#CCN(Cc1nc2ccccc2n1C(F)F)[C@H]1CCOc2ccc(Br)cc21 733613517 AITQNYQEJMUYPC-KRWDZBQOSA-N 446.295 5.153 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OC 733615339 OSQUMBNNAHKUHF-QFIPXVFZSA-N 445.519 5.277 30 20 IKED CN(C(=O)c1ccccc1SCC#N)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 734142792 BDOBKLLISYUSJF-UHFFFAOYSA-N 443.450 5.785 30 20 IKED N#Cc1cccc(COc2ccc(NC(=S)Nc3ccc4c(c3)OCO4)cc2Cl)c1 735240206 NZEANVIASVHVGE-UHFFFAOYSA-N 437.908 5.328 30 20 IKED N#CCOc1ccc(Cl)cc1CN1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 735310238 UZFNAWCPZUFPLM-MRXNPFEDSA-N 443.334 5.325 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 735444007 SZTYDRYIZICTGY-UHFFFAOYSA-N 425.400 5.145 30 20 IKED Cc1c(C(=O)/C=C/c2cn(C)nc2-c2ccncc2)cnn1-c1ccc(Cl)cc1Cl 743055605 GVCHJLMHSFPLGF-ZZXKWVIFSA-N 438.318 5.179 30 20 IKED C=CCOc1ccccc1CNC(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 743230921 YRCKTTAKNAGVEM-KRWDZBQOSA-N 425.529 5.159 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)n1 747196534 MMUFVXPHUFVQNZ-IERDGZPVSA-N 428.529 6.255 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)CCSc1ccccc1Br 749360864 JCANJSUTZLIABY-UHFFFAOYSA-N 440.366 5.067 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCC[C@H]3C[C@H](O)c3cccs3)c2)s1 751097912 RSDVBBRLQPISKF-ICSRJNTNSA-N 437.590 5.146 30 20 IKED CC(C)(C)OC(=O)N1CCc2c(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cccc21 753899725 RQTLQJUIYHAIIZ-NFBKMPQASA-N 446.551 5.288 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)CSc3ccc(F)cc3)n2)cc1 756241332 CPCLTLWDTMBXGO-LIRRHRJNSA-N 426.538 5.562 30 20 IKED N#Cc1ccc(NC(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)cc1C(F)(F)F 757229753 IZIOOHLEHHRZHF-FQEVSTJZSA-N 445.466 5.406 30 20 IKED N#CCc1ccc(C(=O)Nc2cccc(N(CC3CC3)C(=O)c3ccc(CC#N)cc3)c2)cc1 759887564 ALSCXGTZXGAAFQ-UHFFFAOYSA-N 448.526 5.128 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCCOc1ccc(C)cc1Cl 766258044 UUOQBQXCCAJKMK-LJQANCHMSA-N 426.944 5.280 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCc1ccc(SC(=O)N(C)C)cc1 768407312 PFTRFQYQZGAUGB-UHFFFAOYSA-N 440.594 5.109 30 20 IKED C#CCCN(CC(F)(F)F)C(=O)c1cc2sc(Nc3ccccc3OC)nc2s1 768617255 YSUXJUYXUTWETH-UHFFFAOYSA-N 439.484 5.138 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O 769785573 KXCQWQWBXLMXTK-AWEZNQCLSA-N 427.526 5.243 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H]2CCCOc3c2ccc(Cl)c3Cl)ccc1OC 772983958 BAAQWOKNZXMFRZ-QAPCUYQASA-N 435.351 5.686 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cnc(Cc2ccccc2F)s1 773978454 CKLMTRSUANEGLF-CYBMUJFWSA-N 448.306 5.141 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 778285956 RNQDDKJOLPFTMY-RUZDIDTESA-N 446.934 5.590 30 20 IKED COc1cc(/C=C/C(=O)c2cccc(-c3ccncc3)c2)c([N+](=O)[O-])cc1OCC(F)F 778518033 CENDCWGUFNSCQU-AATRIKPKSA-N 440.402 5.205 30 20 IKED C=CC[C@@H](NC(=O)N1CCC(c2ccc(Br)c(C)c2)CC1)c1ccncc1 779576347 SOPZZOLZIAHRQP-OAQYLSRUSA-N 428.374 5.359 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1 782581191 HTSXZBPVHPPGDV-INIZCTEOSA-N 447.800 5.283 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)cc1 783723459 UBSZDSAZASBVFD-HXUWFJFHSA-N 427.451 6.050 30 20 IKED CCCOc1c(Cl)cc(C=NOCc2ncc(Br)s2)cc1OCC 788505157 SLVWSDHBZIRJKX-UHFFFAOYSA-N 433.755 5.297 30 20 IKED COc1ccccc1-c1csc(C2CCN(Cc3ccc(O[C@@H](C)C#N)cc3)CC2)n1 792200037 GMPGLXVVNKAGQX-SFHVURJKSA-N 433.577 5.489 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 793266093 YFHIIGMZEHFUBP-UHFFFAOYSA-N 433.552 5.297 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(C(=O)Nc3ccccc3)c2)cc1 796796015 AQDPDJPMDMHIKB-DEOSSOPVSA-N 439.515 5.243 30 20 IKED CC(C)([C@@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1ccc(Br)cc1)[N+](=O)[O-] 796831652 GFDCMOXCGMBCTQ-XLIONFOSSA-N 445.313 5.176 30 20 IKED CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1cccc2ccccc12 799210248 PQRVILVJARCTPI-JOCHJYFZSA-N 445.544 5.023 30 20 IKED CC[C@@H](C#N)Oc1cc(CNc2c(Br)cc(Cl)cc2C#N)ccc1OC 804455395 HMTRCZQOQWCXSM-HNNXBMFYSA-N 434.721 5.276 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2c(C(C)=O)oc3cc(C)ccc23)cc1 805856154 SCEFZRBEVHZRNR-JOCHJYFZSA-N 430.504 5.177 30 20 IKED CC(=Nn1cnnc1SCc1ccc(Cl)cc1)c1sc2nc(C)nc(C)c2c1C 863967828 YNMQVGBHMZHNDS-UHFFFAOYSA-N 443.001 5.426 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1nc2ccccc2[nH]1 915098888 KVUNWDONSULLQW-HNNXBMFYSA-N 426.423 5.124 30 20 IKED CC(=NNc1nc2ccccc2c(=O)n1CCCOC(C)C)c1ccc(C(F)(F)F)cc1 915955701 HZFDOVRVAHCDRU-UHFFFAOYSA-N 446.473 5.067 30 20 IKED O=C(/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(F)cc1F 916128029 FOZOUOJXDUKRDN-WTKPLQERSA-N 432.253 6.420 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cccc(F)c3c2COC)cc1 916950482 UALHGOFMSNEFGS-YOEHRIQHSA-N 438.524 5.661 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(NC(=O)c3cccs3)c2)cc1 916956073 XOYRQBHZVZFCJS-KKSFZXQISA-N 445.544 5.475 30 20 IKED CCOc1cc2c(cc1/C=C/C(=O)[C@H](C#N)c1nc(-c3ccccc3)cs1)O[C@H](C)C2 917026005 VGDPXWWVKDCIJQ-AUNGOPJYSA-N 430.529 5.422 30 20 IKED COc1ccc(Cl)cc1C(=O)/C=C\c1csc(N(C(C)=O)c2ccc(Cl)cc2)n1 917558994 BYUZHLJFEXIDCA-TWGQIWQCSA-N 447.343 6.039 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 920102842 ZYIZXMIDIZHJRG-QGZVFWFLSA-N 433.920 5.767 30 20 IKED N#C[C@@H](C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1)c1ccc2ccccc2n1 920105876 HGTAVYDTGCRACI-SQJMNOBHSA-N 443.506 5.035 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 920142690 RIJLMFVRAVINFU-LJQANCHMSA-N 444.516 5.519 30 20 IKED CSc1nc(O)c(C(=O)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)cc1C#N 1527023061 RYTVJEWRUVJPQY-UHFFFAOYSA-N 447.303 5.127 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)ccc3F)cc2)CCC1 1785964058 XYZWXRFFHPABQS-UHFFFAOYSA-N 444.934 5.210 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccnc(C(F)F)c3)cc2)CCC1 1787017426 YTKAFENECGQWPO-UHFFFAOYSA-N 441.522 5.759 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5cnccc5c4)cc3)CCC2)cc1 1789014707 OQMWLZPNFWAMFA-UHFFFAOYSA-N 446.510 5.168 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)nn3C(F)F)cc2)CCC1 1790135976 VTZCAFMORYWHSE-LJQANCHMSA-N 442.510 5.103 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)CCC2)cc1 1791587216 BZSCJNUDKIVARD-UHFFFAOYSA-N 434.923 5.924 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCSCc1ccc(C)cc1 1802131117 NDOLLKVJWWBGNX-UEQSERJNSA-N 440.653 5.025 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C(C)=C/c2ccc(C)o2)[C@@H]1c1cccnc1 1810404395 JGWVZVOLYPVQTH-DMJRHOSBSA-N 449.595 5.085 30 20 IKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](c3ccccc3)[C@@H](C)CC)[nH]n2)C1 1814393923 QIKOUTGZODFPQC-JKFKMHIGSA-N 434.584 5.198 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2Cl)[nH]n1 1819308242 YOGLGSYNVWHMCZ-OXJNMPFZSA-N 426.948 5.137 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@]2(F)CCCC=C2F)n[nH]1 1823582187 FPUNNKHZLSLXFS-HXOBKFHXSA-N 434.531 5.140 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc3ccccc23)CC1 1828000387 HEQZEJSKBBKLBF-NVQXNPDNSA-N 445.607 5.237 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CNc2ccccc2C)CC1 1829067759 XKNDIHAANCAFPR-DEOSSOPVSA-N 439.644 5.019 30 20 IKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1829573823 LATZSSNRASZMNP-JOCHJYFZSA-N 445.563 5.237 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC)cc2C)CC1 1830116548 MXGNDLPNCKHFAW-ILBGXUMGSA-N 438.612 5.005 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccncc23)CC1 1830862685 QMKXVYPSJPOMCC-VWLOTQADSA-N 447.623 5.461 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 1831566248 CKJUTEJWEXOLCR-BVSLBCMMSA-N 438.603 5.280 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)cc2OC)CC1 1832580702 IJXWAIZXKCCAQJ-XMMPIXPASA-N 438.612 5.005 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2ccccc2SCc2cn3ccccc3n2)cc1 25841397 IDNYLTFCRHYYII-UHFFFAOYSA-N 426.545 5.680 30 20 IKED Cc1cc(C)cc(-c2nnc(S[C@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)o2)c1 26497646 RHIVCHZGCPOFRX-LJQANCHMSA-N 434.565 5.398 30 20 IKED CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(C2CC2)nc(SC)c1C#N 26983984 VFEYPIARQSVVDT-CABCVRRESA-N 437.565 5.250 30 20 IKED C=CCn1c(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)nnc1-c1ccco1 29548090 SMNGXIFSBUWTCS-UHFFFAOYSA-N 438.578 5.227 30 20 IKED COc1ccc(C)cc1-c1csc(NC(=O)c2ccccc2-c2ccccc2C#N)n1 29768022 XOSDZOHLVSDZCU-UHFFFAOYSA-N 425.513 5.918 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cccc(CN3CCCC3)c2)cc1 64026730 ZOIKUCTXUTVZFA-UHFFFAOYSA-N 427.523 5.136 30 20 IKED N#C[C@H](C(=O)c1cccc(NC(=O)c2ccco2)c1)c1nc(-c2c(F)cccc2F)cs1 64715377 RNAPELJETHDLEL-OAHLLOKOSA-N 449.438 5.424 30 20 IKED CCc1ccccc1N(C(C)=O)c1nc(CSc2nc3c(cc2C#N)CCCC3)cs1 96995021 WHAVYXDJNFWXRR-UHFFFAOYSA-N 448.617 5.828 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)ccc2Br)cc1Cl 107648739 VPUWWHSDROBSEA-GOSISDBHSA-N 443.703 6.149 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2F)C(C)C)nnc1-c1ccccc1F 219005587 DHZCZWIGKHAIGE-IBGZPJMESA-N 428.508 5.165 30 20 IKED CC[C@@H]1Oc2cc([C@H](C)NCc3cccc(OCc4ccccc4C#N)c3)ccc2NC1=O 236981212 MSVQVBMRJZYDAA-BVZFJXPGSA-N 441.531 5.098 30 20 IKED Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)c2)n1 303014931 LAXPPNDFFVOXBY-UHFFFAOYSA-N 436.515 5.773 30 20 IKED COc1ccc([C@H](NCc2ccc(F)cc2C#N)c2ccccc2)cc1Br 303366417 ISBLXSKGDYRDCI-JOCHJYFZSA-N 425.301 5.348 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN([C@H](C)c2ccccc2Cl)CC1 303393658 PGUIQMQPUDXUJJ-ZWKOTPCHSA-N 443.016 5.502 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(NC[C@H]4CCCO4)c(F)c3)c2)cc1 303750500 AEIVDXRAGUEXPR-HSZRJFAPSA-N 445.494 5.120 30 20 IKED Cc1nc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)sc1Cc1ccccc1F 428244445 ILMBSOKHJFVEEG-UHFFFAOYSA-N 445.523 5.211 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 430598437 ODJOGGCTHVRPNZ-HNNXBMFYSA-N 429.542 5.414 30 20 IKED C[C@@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H]1OCCc2sccc21 431346823 ABSGUNRXEUGLQJ-OSPHWJPCSA-N 432.545 5.282 30 20 IKED N#Cc1cc(NC(=O)N2CC[C@@H](CSc3ccccc3)C2)ccc1OCC(F)(F)F 437848564 WWQADHDQSJHMAQ-OAHLLOKOSA-N 435.471 5.145 30 20 IKED CC(C)Oc1ccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(C(F)(F)F)c1 438012604 QFPYWCJTAPTCPE-WIYYLYMNSA-N 431.458 5.796 30 20 IKED CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 438024120 QCVRJMQBOAINRD-HSZRJFAPSA-N 440.547 5.336 30 20 IKED C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 439350811 CTZDWBOPYQALSP-IWRQBJDLSA-N 447.579 5.125 30 20 IKED C=CCC[C@H](NC(=O)N[C@@H]1CCC[C@@H]([S@@](=O)CC)C1)c1ccc(C(F)(F)F)cc1 440842255 JEYWKLOTRIIOBV-YGKZCKERSA-N 430.536 5.092 30 20 IKED CCN([C@@H](c1ccc(Cl)cc1)c1ccccn1)S(=O)(=O)c1ccc(Cl)cc1C#N 443073653 RRGJCPFXIZPPKE-NRFANRHFSA-N 446.359 5.060 30 20 IKED CCN(Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 443560089 PANGTRUMAMNLCH-UHFFFAOYSA-N 437.503 5.346 30 20 IKED C=CC[C@H]1N(C(=O)[C@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)CCCC1(C)C 443868238 MZZFAHADZSCUCV-JKSUJKDBSA-N 433.643 5.229 30 20 IKED C[C@@H](NC(=O)CN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 444742051 IDNWEQHTJZMMSB-PXAZEXFGSA-N 436.371 5.305 30 20 IKED CN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@H]1CCOc2ccc(Br)cc21 446109782 UIPFQMJVTIMKCJ-SFHVURJKSA-N 428.330 5.238 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1noc(C2CCCCC2)n1 448233522 FPRPMOQZORYCPU-HNNXBMFYSA-N 430.599 5.383 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2ccccc2C(F)(F)F)on1 463950521 NSACKCHEMUUZCA-ZDUSSCGKSA-N 431.439 5.864 30 20 IKED Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 464150334 LTDRVBXWNQSAPP-ZWKOTPCHSA-N 429.568 5.607 30 20 IKED CCc1nc2ccc(Cl)cn2c1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 464194492 ZWJFERAPJCOIIL-MRXNPFEDSA-N 431.908 5.035 30 20 IKED C=CCn1c(SCC(=O)N2C[C@H](C)C[C@@H]2CC)nnc1-c1ccc(Cl)cc1Cl 465295489 NUTRHSSHUQVJGZ-HIFRSBDPSA-N 439.412 5.177 30 20 IKED Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1 466940224 WIGYVGYWDLBWGF-UWJYYQICSA-N 447.457 5.097 30 20 IKED CC(C)CO[C@H](C)c1noc(CN(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)n1 467711712 VJHBCEGAFLHXHQ-QGZVFWFLSA-N 449.511 5.131 30 20 IKED C[C@H](O)C[C@@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1 469504977 NIEASGCPQINVAT-RDPSFJRHSA-N 443.547 5.008 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc2nnc(C(C)(C)C)n2c1 469936733 XBNCWDPEVPTYCI-UHFFFAOYSA-N 439.519 5.038 30 20 IKED C=CCC[C@H](C(=O)N1CCC(c2nc(-c3ccccc3OC)no2)CC1)c1ccccc1 470094188 SQESEYIEPDXCLV-NRFANRHFSA-N 431.536 5.201 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H](C(F)(F)F)C1(C)C 470350995 FUDSNIXNHZYZBG-HXUWFJFHSA-N 431.458 5.640 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 475559391 CZNLKKCEMGDMDO-UHFFFAOYSA-N 437.559 5.238 30 20 IKED N#Cc1cc(NC(=O)N2CCCC[C@H]2c2nc3ccccc3o2)ccc1OCC(F)(F)F 480269986 XNBHCZUUXNJKRD-KRWDZBQOSA-N 444.413 5.400 30 20 IKED Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)o2)cc1 481948661 VUXJUOUIJABEQR-UHFFFAOYSA-N 429.398 5.034 30 20 IKED CN(Cc1ccccc1C(F)(F)F)C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F 482376342 MTCSKGHXPBDIHF-HNNXBMFYSA-N 426.307 5.429 30 20 IKED COc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)n[nH]2)cc1 483443649 DUBHFERUYYOHAV-KRWDZBQOSA-N 434.908 5.352 30 20 IKED N#C[C@H](C(=O)c1cc2sc(N3CCCC3)nc2s1)c1nc2ccccc2n1C(F)F 483487793 IASWKVXMLWQDOJ-LLVKDONJSA-N 443.504 5.193 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC4(CC3)OCCc3ccsc34)c2)cc1 487456173 RFMZPCDOHVJXEC-UHFFFAOYSA-N 430.529 5.116 30 20 IKED C[C@@]1(c2ccccc2)CCCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 502264026 ZJLYXSKTXZWQSZ-HSZRJFAPSA-N 449.605 5.288 30 20 IKED CC(=O)Nc1cccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 502466249 HBJNWHSQHKXOSA-UHFFFAOYSA-N 434.883 5.393 30 20 IKED CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 502637564 NRVRICGGJIALSQ-UHFFFAOYSA-N 438.534 5.268 30 20 IKED COc1ccc(OC)c(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 506371928 UKOSCVLFCSHDMT-QFIPXVFZSA-N 449.938 5.377 30 20 IKED C[C@H](c1ccccc1Cl)N(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C1CC1 507811181 YLJZQUACJISEIE-MRXNPFEDSA-N 425.935 5.319 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OCc4ccccc4)nc3)n2)cc1 508197824 JUXWLHVAYKBGBD-OAQYLSRUSA-N 441.512 5.283 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCCc3cc(OC(F)F)ccc32)c1 509658328 OLTNBRMSVPJMKF-UHFFFAOYSA-N 434.442 5.332 30 20 IKED N#Cc1ccc(CN(C(=O)N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)C2CC2)cc1 510332955 MMAYFGUWOJBNOM-NRFANRHFSA-N 429.442 5.282 30 20 IKED COc1cccc([C@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 511400702 VVGJUAMZJWCDJA-AREMUKBSSA-N 441.531 5.709 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(-c2ccccc2C#N)cc1 514343433 ACKUIHDTGFQXIF-UHFFFAOYSA-N 443.620 5.323 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)COc3ccc(Cl)cc3Cl)c2)c1 515676704 VJDOJGUTXZCWHX-UHFFFAOYSA-N 440.286 5.135 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)c2)cc1 519196511 FHQNMXFWIQGBTL-QHCPKHFHSA-N 441.487 5.491 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)N(Cc4ccc(C#N)cc4)C(C)C)cc3)o2)cc1 519883128 FFDJZBSABFVGHL-UHFFFAOYSA-N 436.515 5.635 30 20 IKED N#C[C@@H](NC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccc(Cl)c(Cl)c1 520270878 JBVZVOJQGBSLEA-OAHLLOKOSA-N 428.300 5.858 30 20 IKED CC(C)C(=O)Nc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 522574219 RWXKFGFTKJFYCO-UHFFFAOYSA-N 433.895 5.851 30 20 IKED Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 523420488 UKUPMJIDTUVHPH-LJQANCHMSA-N 426.520 5.214 30 20 IKED CC(C)(C)c1ccc(-c2nnc(SCC(=O)NC3(C#N)CCC3)n2C2CCCC2)cc1 525877832 MHDZRGOJRYZJNB-UHFFFAOYSA-N 437.613 5.012 30 20 IKED Cc1ccccc1OCCCC(=O)Nc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 539498870 SIAFFABQZJZXRD-NRFANRHFSA-N 427.548 5.515 30 20 IKED Cc1cc(N2CCSCC2)ccc1NC(=O)c1ccccc1Oc1ccccc1C#N 540854956 NWDSGMLOXBOZAN-UHFFFAOYSA-N 429.545 5.465 30 20 IKED Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)c[nH]c12 541171774 FMLDWFVJEJDQTO-INIZCTEOSA-N 425.463 5.005 30 20 IKED C[C@H](NC(=O)NCc1coc(-c2cccs2)n1)c1ccc(-c2cccc(C#N)c2)cc1 543018611 VTGACPZMBOTWAJ-INIZCTEOSA-N 428.517 5.502 30 20 IKED Fc1ccccc1-c1cnc(CN[C@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)o1 543870113 NMFUPRKRSXAPHX-QGZVFWFLSA-N 434.311 5.773 30 20 IKED CC(C)c1noc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1 543980421 DSGLMJKRZMVNRP-GFCCVEGCSA-N 435.290 5.624 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F 553319850 FUIKCLZXHGEROX-OXJNMPFZSA-N 447.526 6.859 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(Cl)c1SCC(F)F 554486251 AXFLDNIMCYFTGV-UHFFFAOYSA-N 430.904 5.393 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(CN2CCCCCC2)c1 557580991 CYWUDMNIYFFVKE-FQEVSTJZSA-N 436.625 5.636 30 20 IKED CCOc1ccc(Oc2ccccc2NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1 558826565 KUGAJHYITCMCTP-UHFFFAOYSA-N 427.382 5.415 30 20 IKED N#Cc1cccc(CS(=O)(=O)N[C@H](c2ccc(Cl)cc2)c2ccccc2Cl)c1 562150616 VIGGQQHRLOWIBQ-OAQYLSRUSA-N 431.344 5.074 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(C)(C)c1csc(-c2ccc(F)cc2C)n1 567318664 SXRJIIGHNBCHLZ-UHFFFAOYSA-N 442.556 5.225 30 20 IKED CCCOc1ccc(Br)cc1-c1noc(C[C@@H](CC#N)c2ccccc2)n1 582751263 WNEUICLOZNWAQV-MRXNPFEDSA-N 426.314 5.528 30 20 IKED C=C(C)COc1cccc(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)c1 589382609 HVVAXKRFXURKPT-UHFFFAOYSA-N 442.441 5.371 30 20 IKED C=CCn1c(SCc2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccccc1F 592563239 GKHUGZWJVYAAFW-UHFFFAOYSA-N 427.892 5.266 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 592973368 FBDPSTJXABDGPM-LBPRGKRZSA-N 425.466 5.141 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)cc2)c1 596386984 SCERHVKZCIKSND-UHFFFAOYSA-N 441.487 5.183 30 20 IKED N#Cc1c(NC(=O)c2cc(Br)ccc2F)sc2c1-c1ccccc1CC2 603992047 WVEFGALNWCQMBJ-UHFFFAOYSA-N 427.298 5.539 30 20 IKED O=C(Nc1cc(F)ccc1N1CCCCC1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 605032429 PMOQMSDEHYOZBZ-UHFFFAOYSA-N 427.364 5.165 30 20 IKED COc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc4cccc(C)c4[nH]3)nn2-c2ccccc2)cc1 605363019 DAYXRUXJOQMDIL-NRFANRHFSA-N 447.498 5.223 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1csc(-c2ccc3c(c2)OCO3)n1 608805143 QRPFYVCJBGCSPA-UHFFFAOYSA-N 431.498 5.391 30 20 IKED CC(C)CC[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccc(Cl)cc1 609088041 PRNUBPGKWVBBOK-KRWDZBQOSA-N 449.885 5.045 30 20 IKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609209846 PTIDSWPGDBDATN-ATIYNZHBSA-N 441.531 5.982 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 609377435 VFWXYEYZDCEEDO-AUSIDOKSSA-N 443.572 5.438 30 20 IKED C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 609508373 SPBDJPLLSJADTL-AOMKIAJQSA-N 433.895 5.001 30 20 IKED N#CCCN(C(=O)CCC(=O)N(Cc1ccco1)c1cccc(Cl)c1)c1ccccc1 609526114 SVCVKZAWWVYNJE-UHFFFAOYSA-N 435.911 5.193 30 20 IKED C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609682489 ZOVHBYKJKPNUMB-XMSQKQJNSA-N 429.495 5.686 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)CCSc1ccc2c(c1)OCCCO2 610152432 XAZTYYLTLLGMCE-UHFFFAOYSA-N 436.558 5.569 30 20 IKED C[C@@]1(C#N)CCCN(C(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)C1 612252154 VEOZDUWEUVRLEY-NRFANRHFSA-N 431.323 5.403 30 20 IKED Cc1ccc(-n2ncc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c2C(C)C)cc1 613404429 QXNPBYMOOYIWFS-KRWDZBQOSA-N 433.462 5.539 30 20 IKED C=CCn1c(SCc2cccc(C(=O)Nc3ccccc3)c2)nnc1-c1ccccc1 614381012 PCGOIXCVFIPUMQ-UHFFFAOYSA-N 426.545 5.676 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)Nc1cccc(Sc2ccccc2)c1 615297782 DWORZJBEJIVNHJ-QGZVFWFLSA-N 447.585 5.809 30 20 IKED C[C@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1c(Cl)cccc1Cl 615882979 KVMAGIXNZHOYNM-AWEZNQCLSA-N 430.335 5.319 30 20 IKED N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(CSC3CCCCC3)c2)cc1Cl 619836998 MKVJEOFHMPUBAN-UHFFFAOYSA-N 441.984 5.032 30 20 IKED Cc1ccccc1-n1ncc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1C(F)(F)F 642136212 OCCPJVRBKRBICC-UHFFFAOYSA-N 446.432 5.247 30 20 IKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 667481879 KKJSENJNECJXJN-JOYOIKCWSA-N 437.302 5.340 30 20 IKED C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 685551747 LONZHONBBIQHOY-FDDCHVKYSA-N 434.540 5.050 30 20 IKED Cc1ccc(N(CCC#N)C(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 726940449 KLILTBHTPQYMBL-DEOSSOPVSA-N 445.950 5.457 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2csc(-c3ccccc3C)n2)c1 727560424 OBXNPFAPGMKPSZ-IBGZPJMESA-N 447.560 5.228 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(N3CCC(OC)CC3)c(C(F)(F)F)c2)cc1 728009933 PLMSKXQJXUMQBQ-UHFFFAOYSA-N 434.458 5.138 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)C[C@@H](c2ccccc2)C(F)(F)F)c1 728652427 JMOCWNVFDSTQSN-NQIIRXRSSA-N 446.469 5.218 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@H](Cc3ccccc3)C2)c1=S 729985357 MCEDNBNNSIOGOR-NRFANRHFSA-N 434.609 5.188 30 20 IKED CC(=NOCc1noc(Cc2ccc(Br)cc2)n1)c1cc2ccccc2o1 732193671 ALWLTWGWBWWLLO-UHFFFAOYSA-N 426.270 5.110 30 20 IKED FC(F)(F)c1cc(NN=Cc2csc(-c3ccsc3)n2)nc(-c2cccnc2)n1 733080554 PZFYAQSYKDEANL-UHFFFAOYSA-N 432.456 5.188 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)NC(C)(C)c2cccc(C(F)(F)F)c2)ccc1OC 733646790 AKHGJPVWDCJPQK-GOSISDBHSA-N 449.473 5.129 30 20 IKED C=CC[C@H](NC(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccncc1 734666732 IZXFOZSOSNNBFZ-SANMLTNESA-N 437.547 5.110 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N(Cc3cccs3)Cc3cccs3)c2)s1 740063983 IBZKKYZMRJKEPU-UHFFFAOYSA-N 449.626 6.322 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 744028721 LSCWKCPUZNMIJS-HSALFYBXSA-N 429.347 5.569 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)[C@@H](C)c2cccc(Cl)c2)n(C2CCCC2)c1C 745308151 YZFYBKUEKZSJJK-HNNXBMFYSA-N 427.932 5.031 30 20 IKED C/C(=C/C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1cccc(C(F)(F)F)c1 745483315 LDRSTRVMVWXEDC-VBKFSLOCSA-N 440.421 5.403 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 752660534 GKSOUNFIRCLBBO-DNQXCXABSA-N 442.588 5.614 30 20 IKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2ccc(-c3ccncc3)cc2F)cc1 752720743 NKKZLKAHIRMWAE-UHFFFAOYSA-N 447.539 5.353 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)CC(Cc3ccccc3)Cc3ccccc3)o2)cc1 753531804 HSCIBVCSUGHNFQ-UHFFFAOYSA-N 437.499 5.143 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1ccccc1NC(=O)OC(C)(C)C 755881232 GXWQVPJOSSSZMA-MRXNPFEDSA-N 425.554 5.609 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 756913964 IVWYAPNOTDSSNX-UHFFFAOYSA-N 449.551 5.131 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 764377559 XMWZKODVJDMGET-LJQANCHMSA-N 448.567 5.042 30 20 IKED C[C@H](NC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1ccc[nH]1 775985435 ZRCQDDWYFGHFOW-SDBXPKJASA-N 447.301 5.716 30 20 IKED CCO[C@@H]1C[C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)[C@H]1Oc1ccccc1 776473562 BRSFRXBCACXVAG-XDZVQPMWSA-N 441.531 5.089 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc([N+](=O)[O-])cc1F 777878330 IJXZYFNXZWOJRB-UHFFFAOYSA-N 442.859 5.016 30 20 IKED C=CCC[C@@H](C(=O)Nc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1)c1ccccc1 779057043 LBYYGDODQXYFID-JOCHJYFZSA-N 438.572 5.144 30 20 IKED CC(C)(C)OC(=O)N1CC=C(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 779397136 PSXVEECLTGKJGN-HSZRJFAPSA-N 446.551 5.031 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccnc(Cl)c2)ccc1OCC(=O)Nc1ccccc1 779461387 ZIGBLDZSUUWLDD-NTMALXAHSA-N 436.895 5.047 30 20 IKED N#C[C@@H](C(=O)Cn1c(Cc2ccccc2)nc2ccccc21)c1nc(-c2ccncc2)cs1 780330318 UKCDEVYMRNQYFX-FQEVSTJZSA-N 449.539 5.022 30 20 IKED N#CCCn1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)c(F)c2)c(-c2ccncc2)n1 788355650 OKFGSXVGESFWEF-VQHVLOKHSA-N 438.462 5.686 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccnc(Oc3ccc(F)cc3F)c2)cc1 789405588 YUDOEUVZNXLTMK-QRWLVFNGSA-N 449.457 5.627 30 20 IKED CC(C)(C)OC(=O)N(CC=Nn1cnnc1SCc1ccc(Cl)cc1)C(C)(C)C 794485483 XODUNMJFBDFAOA-UHFFFAOYSA-N 437.997 5.093 30 20 IKED N#Cc1ccc(CSc2nnc(NCc3c(Cl)nc4cc(Cl)ccn34)s2)cc1 795806255 QWBSFYQDKZMUIT-UHFFFAOYSA-N 447.376 5.269 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F 797450198 VETIKYFSRVCZQN-OAHLLOKOSA-N 446.569 5.189 30 20 IKED N#Cc1ccc(CNC(=O)c2ccsc2NC(=O)c2ccccc2Cl)cc1Cl 801525204 QTFLRWHXGGLQBF-UHFFFAOYSA-N 430.316 5.109 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)cc1 801664165 LLNALIHUVAFAPT-JOCHJYFZSA-N 442.412 6.000 30 20 IKED CN(CCC#N)c1ccc(CN[C@H](c2ccc(Cl)cc2)C2C[C@@H]3CC[C@H](C2)N3C)cc1 801739484 QCGPZHMUNSOVSQ-TUJAQADMSA-N 437.031 5.394 30 20 IKED CC(C)(C(=O)OCc1ccc(OCC#N)cc1)c1csc(-c2cc(F)ccc2F)n1 811362048 GTVAHMISHKYLHA-UHFFFAOYSA-N 428.460 5.012 30 20 IKED CC(=NNc1ncnc2ccsc12)c1sc(-c2ccccc2Br)nc1C 814880079 QLSPSJYIJULKOR-UHFFFAOYSA-N 444.383 5.722 30 20 IKED Cc1csc(SCc2c(C(=O)[C@H](C#N)c3nc(C)cs3)oc3ccccc23)n1 915100059 CQFXFZQJLZZNBX-AWEZNQCLSA-N 425.560 5.745 30 20 IKED Cc1ccc(Nc2nc(Cl)c(C=Nn3cnc4sc(C)c(C)c4c3=O)s2)cc1 916310695 DRURHRXHQCHMBD-UHFFFAOYSA-N 429.958 5.119 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1 916848568 DMUKAUSZDPSGKW-XMMPIXPASA-N 445.522 6.201 30 20 IKED COc1cccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 916995040 ASJARRFAVRPEIQ-KRWDZBQOSA-N 431.344 5.935 30 20 IKED C[C@H](Sc1ccccc1Cl)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042388 BHWNZYFTWNNWTD-CMPLNLGQSA-N 440.899 6.326 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 919825581 NXHFQHFXEMVTIO-UHFFFAOYSA-N 443.503 5.628 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2nc(O)c3cc(Cl)ccc3n2)cc1 1473229822 JTIIMEBSYIHEJC-UHFFFAOYSA-N 432.886 5.202 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(cnn4C)c3)CCC2)cc1 1786103015 HRLGOCNYQLBSLD-UHFFFAOYSA-N 442.563 5.089 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCc3ncccc3OC)cc2)CCC1 1786828216 PLQQNQBDNDEODE-UHFFFAOYSA-N 449.595 5.149 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@@H]4c4ccccc4)CCC3)cc2)cc1 1790290116 GKASFTOTWWBONX-JWQCQUIFSA-N 435.527 5.110 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)s2)[C@H]1c1cccnc1 1802491694 KOUPOGAVLLBOFI-PXNSSMCTSA-N 446.016 5.109 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)C3(c4ccc(F)cc4)CC3)C2)CC1 1806628941 TURNHFNPPFPDGW-UHFFFAOYSA-N 440.603 5.081 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(C)cccc2C)[C@@H]1c1cccnc1 1811405207 ZJJHYILNZHMPOH-UPVQGACJSA-N 433.596 5.010 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)C[C@@H](C)c2ccccc2)[C@@H]1c1cccnc1 1812729046 QLXIZWSADQCLJX-RMXYQJDTSA-N 445.607 5.050 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2C2CC2)[C@H]1c1cccnc1 1813752005 BAPXOTBPROHDBB-ZEQKJWHPSA-N 443.591 5.047 30 20 IKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cccc(F)c4s3)[nH]n2)C1 1814395172 JGXIXSALCOOMAE-SFHVURJKSA-N 438.528 5.036 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C(C)=C/c2cccs2)n[nH]1 1814411251 SKYRQRZYEGRKJJ-WFYIHGMDSA-N 438.597 5.335 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3cc(C)[nH]c23)n[nH]1 1818649553 TXDZBSVWTWVVGO-JOCHJYFZSA-N 445.567 5.274 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2scnc2C2CC2)[nH]n1 1819553400 FNRZIFZEHZJIJA-KRWDZBQOSA-N 441.601 5.042 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C(C)=C/c2ccc(C)o2)[nH]n1 1819554534 FSQZQHIVQRTZHX-RYEVTAHJSA-N 438.572 5.399 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)[nH]n1 1821924661 GLQOVBXZIZLRCS-IFXJQAMLSA-N 439.947 5.063 30 20 IKED Cc1csc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823211262 LRTMCTJPXFFTJY-OXJNMPFZSA-N 447.564 5.026 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ccoc23)CC1 1828830981 RMRWXACHVPFWNN-LADGPHEKSA-N 434.580 5.435 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(F)cc2)CC1 1828831671 XILFYZCNRRUSDC-JWQCQUIFSA-N 440.603 5.146 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/Sc3ccc(C)cc3)CC2)C1 1828878730 OGCXYQBXUTUFHG-VXZGYFJVSA-N 438.637 5.187 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2)CC1 1829967993 JUZYJYPIJUHOHI-QHCPKHFHSA-N 429.004 5.342 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nc(Cc3ccccc3)c(C)[nH]2)c1 22254060 YLNHKKVTGBVJKU-HXUWFJFHSA-N 432.593 5.353 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(SC)c2)nnc1-c1ccc(F)cc1 24014540 CXHPRJXOVAVJCE-CQSZACIVSA-N 428.558 5.111 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(C(=O)N2CCCC2)c1 30479293 XRSITQZIRIOQDZ-UHFFFAOYSA-N 427.529 5.198 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(C[C@H](C)c3ccccc3)o2)cc1 105610720 WYIZBBZUWMAGLD-OALUTQOASA-N 434.565 5.152 30 20 IKED N#Cc1ccc(CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)cc1 116450965 IRGACXWLHWWVKD-UHFFFAOYSA-N 427.504 5.597 30 20 IKED C=CCOc1c(Br)cc(CNCc2cccc(C(F)(F)F)c2)cc1OC 302221346 JJCMIHRMIOZNDS-UHFFFAOYSA-N 430.264 5.331 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1csc(-c2cccc(F)c2)n1 303031142 UEBSWKMTRYTMSI-UHFFFAOYSA-N 443.503 6.103 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(CCN4CCCC4)cc3)c2)c1 303628517 OHHKRRCZWKQSBH-UHFFFAOYSA-N 425.532 5.028 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCn4c(cc5cc(Cl)ccc54)C3)cc2)nc1 427756391 HPIFZMZAONVOGO-UHFFFAOYSA-N 428.879 5.010 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccn(C3CCCC3)n2)cc1Cl 431513077 JOTDDLGGCWIAGQ-QFIPXVFZSA-N 433.943 5.629 30 20 IKED Cc1ccn(C2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)n1 433244833 KJNFNUSWNLCFAF-QFIPXVFZSA-N 433.943 5.369 30 20 IKED CCCCn1ccnc1-c1cccc(NCc2cn(CCC#N)nc2-c2ccncc2)c1 433341910 UVMIESUXSVZDSW-UHFFFAOYSA-N 425.540 5.134 30 20 IKED N#Cc1cccc(C2(C(=O)NCCCCSc3ccccc3Br)CC2)c1 435024212 BDVPBMTWCFKLTD-UHFFFAOYSA-N 429.383 5.041 30 20 IKED CC(C)Oc1ccc(NC(=O)C(=O)N(Cc2ccccc2)[C@H](C)c2cccs2)cc1C#N 435489359 KCADCOVRQMZJBC-GOSISDBHSA-N 447.560 5.135 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 436361895 NWMZONIHHYGQEO-SFTDATJTSA-N 447.535 5.360 30 20 IKED C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 437745519 LITBLQWOPULFMM-NIYFSFCBSA-N 443.522 6.086 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC([C@H]4CCCO4)CC3)cc2Cl)c1 439243901 FBGLJKJJGRFJLE-JOCHJYFZSA-N 439.943 5.214 30 20 IKED CC[C@@H](C)n1c(SCC(=O)N[C@H](CCC#N)c2ccccc2)nnc1-c1ccccc1 439676780 XXWXAUATFIWBFR-WIYYLYMNSA-N 433.581 5.169 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N1CCCCC[C@@H]1/C=C\c1cccs1 442434652 FTOITFOGFQTQMZ-MENFKHAKSA-N 439.606 5.177 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(NC(=O)CC(C)C)c(F)c3)n2)cc1 442669954 DOFMTGCKYWEZIB-SFHVURJKSA-N 435.524 5.732 30 20 IKED Cc1cc(C)nc(-n2cc(C(=O)Nc3sc4c(c3C#N)CCCCCC4)c(C(C)C)n2)n1 443883099 UPHNAAOXGUVOEZ-UHFFFAOYSA-N 448.596 5.247 30 20 IKED Cc1ccccc1C[C@@H](C)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 445244028 YQYBRGYIGGFHRJ-LJQANCHMSA-N 426.520 5.214 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc(CCC(F)(F)F)cc1 446518058 NAQGDMUHBNKZJE-UHFFFAOYSA-N 430.879 5.050 30 20 IKED COc1cccc(C2(NCc3cccc(OCc4ccccc4C#N)c3)CCOCC2)c1F 446815228 RQMNKKRKRWEBCP-UHFFFAOYSA-N 446.522 5.080 30 20 IKED Cc1ccc(-c2nnc(N3CC=C(c4ccc(C#N)cc4)CC3)n2C[C@H]2CCCCO2)s1 461847768 DHXZJFQGGKMWJI-JOCHJYFZSA-N 445.592 5.050 30 20 IKED Cc1ccc(CCN(CC(F)(F)F)C(=O)c2ccc(COc3ccccc3C#N)o2)cc1 463930234 LECKCSCJMDGYQO-UHFFFAOYSA-N 442.437 5.286 30 20 IKED N#CCc1ccc(NC(=O)N[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1 466394444 DVSIRCCIXXMTSA-QHCPKHFHSA-N 433.895 5.088 30 20 IKED CN(Cc1ccccc1C(C)(C)C#N)Cc1cccc(Br)c1OCC(C)(C)O 467269696 VBJQOOSFGQQIBW-UHFFFAOYSA-N 445.401 5.032 30 20 IKED COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)Nc1ccccc1SC[C@@H](C)C#N 470364242 SJGURAYTQONHJU-LSDHHAIUSA-N 433.961 5.649 30 20 IKED Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 470556925 SQXGLACILKDLCV-QHCPKHFHSA-N 430.552 5.337 30 20 IKED C[C@@H](C#N)CSc1ccccc1N[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 471384184 XRVAHRJIOBMXGB-STQMWFEESA-N 433.364 6.468 30 20 IKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N[C@]1(C#N)CCc2ccccc2C1 472255534 GQXSKQSZNNCNLL-GDLZYMKVSA-N 431.539 5.320 30 20 IKED CCS(=O)(=O)CCCCCSc1nc(-c2ccc(C)o2)cc(C(F)(F)F)c1C#N 473783784 LVTQWVDAZCGHLP-UHFFFAOYSA-N 446.516 5.238 30 20 IKED C=CCN(C(=O)Nc1cccc(COC(C)(C)C)c1C)[C@@H](C)c1cccc(-n2cnnn2)c1 475957305 LZHQPAFSEOWHHU-IBGZPJMESA-N 448.571 5.067 30 20 IKED CCc1ccc([C@@H]2COCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)o1 480380869 GDNMXQBEFHWZFO-DEOSSOPVSA-N 445.519 5.092 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCCOc3c(F)cccc32)cc1 481610994 KNGPZYOGJYWYJZ-DEOSSOPVSA-N 445.494 5.506 30 20 IKED C[C@@H]1CCCCN1CCCCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481684527 JZBZEGUVIASWPM-LJQANCHMSA-N 438.547 5.052 30 20 IKED CC(C)n1c([C@@H]2CCCN2CC(=O)c2cn(CCC#N)c3ccccc23)nc2ccccc21 483105245 XZLNNURVLYIDAN-VWLOTQADSA-N 439.563 5.505 30 20 IKED CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3cnc4ccccc4n3)c12 483220451 XEWVUYYFKSLHPI-INIZCTEOSA-N 425.492 5.122 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1cnc2ccccc2n1 483229109 FQTDQUWKRGEODE-KRWDZBQOSA-N 447.420 5.202 30 20 IKED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(Cc2ccccc2Cl)C2CCCC2)cc1 483478481 RQHSGLUYQFHXTQ-INIZCTEOSA-N 445.972 5.002 30 20 IKED O=C(c1cc2ccccc2n1CC(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 485497057 WSHFITZCRJXZQT-UHFFFAOYSA-N 432.286 5.161 30 20 IKED Cc1cc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)c(C#N)cc1N(C)C 485516672 QETXYRRUBJTGQI-UHFFFAOYSA-N 444.564 5.239 30 20 IKED COc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)ccc1C 487452477 XRRUXYUSLXMZML-UHFFFAOYSA-N 431.439 5.194 30 20 IKED N#Cc1ccc(NC(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc1Br 487965379 FJCPQXAXEWWPSG-KRWDZBQOSA-N 444.720 5.219 30 20 IKED C=CCn1c(SCc2ccccc2C(C)(C)C#N)nnc1[C@@H]1COc2ccccc2O1 488031729 LYHBREKSTCQBDA-NRFANRHFSA-N 432.549 5.070 30 20 IKED CC(C)n1ncc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1-c1ccccc1 489135769 PPBGRFJEEHUASX-UHFFFAOYSA-N 428.414 5.196 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cccc(Cl)c3C)o2)cc1 489792794 POYBJAWTVDSXTG-AWEZNQCLSA-N 429.929 5.383 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC2(CC1)OCCc1ccsc12 491980111 QACRGZOINQXRGA-INIZCTEOSA-N 427.595 5.096 30 20 IKED CCN(C(=O)CSCc1ccc(Br)cc1F)[C@@H](C)c1ccc(C#N)cc1 496262127 GHHKBWLUEMDEQF-AWEZNQCLSA-N 435.362 5.303 30 20 IKED COC(=O)CCSCc1cccc(NC(=O)c2ccccc2-c2ccccc2C#N)c1 504887353 ITBCWUCCRVWZDD-UHFFFAOYSA-N 430.529 5.274 30 20 IKED Cc1nc(COc2cccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)c2)cs1 505331399 PUGWDUVFIGJRLB-SFHVURJKSA-N 432.332 5.332 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCc2c[nH]c3cc(F)ccc23)cc1 508282398 ALKZGHSNVMVUGE-UHFFFAOYSA-N 444.466 5.344 30 20 IKED N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 510192502 UVLPBIDVVBEPOP-UHFFFAOYSA-N 447.869 6.023 30 20 IKED C=CCn1c(SCC(=O)N(C)Cc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 514188990 DIRNWPMONLELRN-UHFFFAOYSA-N 447.391 5.189 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc(-c2cccs2)nc1C 515043711 SHODKEYOYQQIFX-UHFFFAOYSA-N 432.530 5.800 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc(-c2ccccc2)nc1C 515195510 CYCBRGLTHKPOPT-UHFFFAOYSA-N 426.501 5.738 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3nc(-c4ccco4)no3)cc2Cl)cc1 515706853 GNJNZTXHNSPEHH-UHFFFAOYSA-N 434.839 5.218 30 20 IKED Cc1nc(NC(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)sc1SCC#N 518029690 NNDJVDTWDXBRHQ-QGZVFWFLSA-N 429.567 5.678 30 20 IKED Cn1ccnc1Sc1ccc(Cl)cc1NC(=O)CCCCOc1cccc(C#N)c1 518377537 DTHGZCLKSCPNPF-UHFFFAOYSA-N 440.956 5.284 30 20 IKED CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)[C@H]1CCOC(C)(C)C1 518839699 DUEQYIOAEPPWLI-SFHVURJKSA-N 427.932 5.815 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCO[C@H](c4ccccc4Cl)C3)cc2)cc1 518941393 VERZCACPJASGFW-DEOSSOPVSA-N 432.907 5.412 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2N2CCOCC2)cc1Cl 519930638 BEDBLAHGFYGYAX-QFIPXVFZSA-N 431.923 5.084 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc3ncsc3c2)nnc1-c1ccc(Cl)cc1 520003416 SISIFALPTLRSNW-UHFFFAOYSA-N 441.969 5.125 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H](c3ccccc3)N3CCSCC3)cc2)cc1 520186982 RUEAZUCEBLOVMF-DEOSSOPVSA-N 429.545 5.079 30 20 IKED CC(C)c1nc(C(=O)Nc2ccccc2SC[C@H](C)C#N)nn1-c1ccccc1Cl 520828602 MCGALBCTKSEKEZ-OAHLLOKOSA-N 439.972 5.548 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cccn3)cc2)nc1 521089350 LFZAKOINVXDKOO-UHFFFAOYSA-N 449.392 5.202 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C1CCN(Cc2ccccc2)CC1 523348625 BGIGYDRESPGPMP-UHFFFAOYSA-N 445.376 5.015 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2cccc(CSC3CCOCC3)c2)c1 524193406 RVASVEBUCIGQIE-UHFFFAOYSA-N 425.554 5.425 30 20 IKED COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CSc2ccccc2C#N)cc1 525083311 FFVZJIFPVALCPK-HSZRJFAPSA-N 427.529 5.037 30 20 IKED CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1 536417520 SDYXXEBLAJTLEE-UHFFFAOYSA-N 433.895 5.913 30 20 IKED O=C(Nc1ccccc1NCC(F)(F)F)c1cc(OC(F)F)cc(OC(F)F)c1 538296261 KOIIJPRMUPCCPN-UHFFFAOYSA-N 426.288 5.116 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(F)c(Br)c(F)c3)cc2)nc1 540455467 AIMHAQPMUVISQG-UHFFFAOYSA-N 430.208 5.039 30 20 IKED N#CCC1CCN(C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 541951692 IIVAMOJMNGMBST-JOCHJYFZSA-N 433.379 5.086 30 20 IKED O=C(c1ncoc1-c1cccc(C(F)(F)F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 542193027 OOFAKJHVTKPVQF-UHFFFAOYSA-N 446.269 5.317 30 20 IKED C=C(C)Cn1c(SCc2nc(-c3ccc4ncccc4c3)no2)nnc1-c1ccco1 544182390 JMHUXNNHWTZXQZ-UHFFFAOYSA-N 430.493 5.005 30 20 IKED C=CCOCCOc1cc2ccccc2cc1C(=O)Nc1cc(Cl)c(OC)cc1OC 549013221 WPERMMTURNLKAR-UHFFFAOYSA-N 441.911 5.344 30 20 IKED C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@]2(C1)OCc1ccccc12 555260957 WUXCRHSEYZQTKM-VWLOTQADSA-N 432.593 5.091 30 20 IKED CCCCSc1ccc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1C(F)(F)F 558591611 PZFFYTHBIYHICC-UHFFFAOYSA-N 447.526 5.690 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 560147754 DWDIJSGBYGQLIZ-GOTSBHOMSA-N 449.986 5.037 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H](C)CC[C@@H]2c2ccccc2OC)cc1 562142550 NEVCCEKGCQFLHA-HYBUGGRVSA-N 447.579 5.515 30 20 IKED C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H]1c1csc(C)n1 567401706 VCKXMQWNYZAOLW-QGZVFWFLSA-N 448.365 5.139 30 20 IKED N#Cc1cc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cnc1C(F)(F)F 581839100 PNKMKJQNOGWKKS-UHFFFAOYSA-N 444.800 5.130 30 20 IKED CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Nc2ccccc2SCCC#N)c1 585699001 ZWIDBJCGQSXSLC-UHFFFAOYSA-N 429.973 5.260 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 592974184 PHKJVADGVGSWOD-INIZCTEOSA-N 438.915 5.441 30 20 IKED CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 595984008 JQMUOHVUQAORBT-LJQANCHMSA-N 428.488 5.278 30 20 IKED N#C[C@H](C(=O)c1ccc2nc(C(F)F)[nH]c2c1)c1nc2cc(C(F)(F)F)ccc2s1 601432850 IDAFNWHXEWFDHL-SNVBAGLBSA-N 436.365 5.619 30 20 IKED C[C@H]1Sc2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cc2NC1=O 603758855 LKISTPJWIZFOBZ-AUUYWEPGSA-N 447.947 5.680 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H]2c2cccc(Br)c2)c1C 603858473 FVAVOJBFYSPXHR-JOCHJYFZSA-N 440.385 5.150 30 20 IKED CCC(CC)(Cc1nc2ccccc2s1)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 604066010 LXUDDAFQMGECBC-JOCHJYFZSA-N 446.620 5.054 30 20 IKED C[C@H](CCc1ccccc1)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604130160 KDHYEDALRVVTPC-QGZVFWFLSA-N 447.922 5.080 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCc2c[nH]c3cc(Cl)ccc23)cc1 604487274 CNWFESHJGJCZFB-UHFFFAOYSA-N 445.975 5.958 30 20 IKED Cc1cc(C(=O)Nc2cc(C#N)ccc2OC(F)F)c2ccc(Br)cc2n1 609067212 XSFWQASZZMMFOU-UHFFFAOYSA-N 432.224 5.031 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1Cl 609164262 JXXISRHMCRJSOR-LJQANCHMSA-N 430.851 5.637 30 20 IKED C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc3ccccc3n2CC#N)cc1Cl 609164846 GTXRXBYXDIZHQY-MRXNPFEDSA-N 434.927 5.085 30 20 IKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccc([N+](=O)[O-])cc1 609387023 GBZGATWHYFBJAL-LBPRGKRZSA-N 438.431 5.058 30 20 IKED CC1CCN([C@@H](CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c2cccs2)CC1 609497389 ONXFJDKLRDQZIZ-QFIPXVFZSA-N 446.576 5.010 30 20 IKED C=CCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 609723408 POJNCHURVRUPHM-UHFFFAOYSA-N 443.912 5.360 30 20 IKED Cc1ccc(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)cc1NC(=O)c1ccccc1 610053723 JKOMFWWMPGJPCC-UHFFFAOYSA-N 449.514 5.174 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC(C4CCCC4)CC3)s2)cc1 610321840 XJRCSQGTLUZNLD-UHFFFAOYSA-N 427.599 5.136 30 20 IKED COc1ccc([C@H](Cc2ccccc2C)NC(=O)N[C@H](C)c2cccc(C#N)c2)cc1OC 610355493 SFYBQMSQIOGOPP-DVECYGJZSA-N 443.547 5.228 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(CC(=O)NC3CCCC3)CC2)cc1 610490011 OYWDRTKKXBUERL-UHFFFAOYSA-N 447.604 5.011 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cccc(CN3CCCC3=O)c2)cc1 610683133 KNECYTOMPSGXOA-UHFFFAOYSA-N 425.488 5.034 30 20 IKED N#Cc1ccc(NCc2nc(-c3ccccc3-c3ccc(CN4CCCC4=O)cc3)no2)cc1 612882777 SRBCDOSNCDBNSJ-UHFFFAOYSA-N 449.514 5.010 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)ccc1OCc1ccc(Cl)cc1 613290694 KCXFXBXKSNCTRF-NRFANRHFSA-N 442.902 5.966 30 20 IKED N#C[C@@H](C(=O)c1coc(Br)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281384 DLEBPBBHWCVWBF-NSHDSACASA-N 442.121 5.962 30 20 IKED C=CCn1c(Sc2nc(C)nc3sc4c(c23)CCCCC4)nnc1-c1ccncc1 669623674 QYQCGJIWBSYRDO-UHFFFAOYSA-N 434.594 5.259 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 669808617 DHHVEXJNDCHUTF-TXEJJXNPSA-N 442.766 5.101 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)C[C@H]1CCCO[C@H]1c1ccccc1 682782975 YCYQVTOTJFOAEN-RDGATRHJSA-N 434.580 5.103 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2cccc([N+](=O)[O-])c2C)cs1 727973479 NLWPQGDAURMOGA-UHFFFAOYSA-N 429.889 5.144 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)NCc1ccc(F)cc1 728061878 CXPQWIJBFFFIES-MRXNPFEDSA-N 437.902 5.047 30 20 IKED CCOc1cc(/C=C2/Cc3c(C)cccc3C2=O)ccc1OCC(=O)Nc1ccccc1 729150727 LUBHVNDWLDATMG-ZHZULCJRSA-N 427.500 5.234 30 20 IKED CCOc1ccc(NC(=S)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 730955355 YVKKLQBTZBIZFT-UHFFFAOYSA-N 425.501 5.919 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 731332209 GOFJTZXCERKEED-MRVPVSSYSA-N 435.163 6.342 30 20 IKED Cn1c(CC(=NOCc2coc(-c3cccc(F)c3)n2)c2ccccc2)nc2ccccc21 731664317 JRGRVWVIAOZAJL-UHFFFAOYSA-N 440.478 5.531 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(-c3csc(C)n3)cc2)ccc1OC 733618060 RYDJWNIKVZSLQX-LJQANCHMSA-N 436.537 5.130 30 20 IKED N#C[C@@H](NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1ccc(F)cc1 733622670 WRBUFMTYVXLCNZ-HXUWFJFHSA-N 433.533 5.722 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2c(Cl)cccc2Cl)C2CC2)c1 733850979 UIRVDGCHHUCYEM-QGZVFWFLSA-N 432.351 5.549 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)cn1 734102031 BVTIRUKNYYOBFR-UHFFFAOYSA-N 444.491 5.132 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 735001783 PPCOKHUMMCZTEC-UHFFFAOYSA-N 435.867 5.825 30 20 IKED CCCCn1c(SCc2cc(Cl)ccc2OCC#N)nnc1-c1ccc(OC)cc1 735231032 NCZWCYGBHWCOPS-UHFFFAOYSA-N 442.972 5.602 30 20 IKED C[C@@H](SCC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1nc2ccccc2[nH]1 739595166 WCHCHGHJLKCISJ-OAHLLOKOSA-N 432.574 5.274 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1OC 740059146 HEAWHTRAIXHCFI-OAQYLSRUSA-N 447.560 5.351 30 20 IKED Cc1nc(C(C)(C)C)sc1C(=O)/C=C\c1cn(C)nc1-c1ccc2c(c1)OCCCO2 740616160 JSLHIGZWXVLVRG-CLFYSBASSA-N 437.565 5.207 30 20 IKED Cc1cc(=O)oc2cc(OCCNc3cccc(OCc4cccc(C#N)c4)c3)ccc12 740873310 MVFWKIOSHKOLFU-UHFFFAOYSA-N 426.472 5.043 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F 741431114 PIEIVCYSMPCAON-QYZOEREBSA-N 438.405 5.189 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)N[C@@H]1CCc2ccccc2C1 742995802 XLMIXLMCSDYPRN-HSZRJFAPSA-N 427.573 5.290 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 743093677 XJVGBLOTTMOYMV-AREMUKBSSA-N 439.559 6.414 30 20 IKED COc1ccc(N(C(C)=O)c2nc(C=NOCc3ccc(C(F)(F)F)cc3)cs2)cc1 746576837 QSAQYINLGCVTIT-UHFFFAOYSA-N 449.454 5.406 30 20 IKED COc1cccc(CN(CC(C)C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 746659622 MKJFNXVASVFHKG-AREMUKBSSA-N 427.548 6.041 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(Br)c(F)c2)cc1 746661057 XHZCBIBJVNDEOG-LJQANCHMSA-N 438.300 5.565 30 20 IKED C=CC[C@@H](NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1)c1ccncc1 748636365 VLRBUYUXVUFABJ-YADHBBJMSA-N 430.552 6.024 30 20 IKED CCOc1c(OC)cc(/C=C2/CSc3ccc(Br)cc3C2=O)cc1OC 750914175 SXLXYTVSENNJDH-QPEQYQDCSA-N 435.339 5.237 30 20 IKED Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(C)(C)C 751016375 IBRKCYBYHYRTAD-RPBOFIJWSA-N 439.559 5.493 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3Br)cc2)cc1 758152694 AATXUTUADYMLIF-UHFFFAOYSA-N 438.237 5.274 30 20 IKED N#C[C@@H](C(=O)CCc1nc(C2CCCC2)no1)c1nc2cc(C(F)(F)F)ccc2s1 762069498 RWUPSRPEAQXZGB-ZDUSSCGKSA-N 434.443 5.165 30 20 IKED Cc1cccc(-c2cncc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c2)c1 768764030 UFKVLIQVVFOKTD-XMMPIXPASA-N 447.494 5.811 30 20 IKED C[C@H](NCc1ccc(-c2ccccc2C#N)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 774479956 STTNWKAOSZJVRG-INIZCTEOSA-N 426.488 5.072 30 20 IKED COc1ccc2c(c1)C(=NO[C@H](C)c1nnc(-c3ccc(Cl)c(Cl)c3)o1)CCO2 774846928 RJSYBNYYLUTPSA-LLVKDONJSA-N 434.279 5.316 30 20 IKED CCCOc1ccccc1[C@H](CC(C)C)NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N 775544970 LBBUBJXRPWMNDB-GGAORHGYSA-N 442.563 5.389 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)ccc1OC 779101412 NCLBONABUBVVIG-WIOPSUGQSA-N 438.930 6.048 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccccc2NC(=O)OCc2ccccc2)c1 781970813 RVHPOIIXRXLWGG-OAQYLSRUSA-N 443.503 5.046 30 20 IKED C=CCCO[C@@H](C)C(=O)Nc1cc(Br)cc(C)c1NC(=O)OC(C)(C)C 784692687 UOSIKQCJPGWQBZ-ZDUSSCGKSA-N 427.339 5.024 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccsc2)N(CC(F)F)C1=O)Nc1ccc2ccccc2c1 790736025 OGXGCYFNNDHJFE-KRWDZBQOSA-N 445.516 5.127 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 790965076 CDLSYPBMHPNEDL-IBGZPJMESA-N 447.457 5.366 30 20 IKED N#C[C@H](C(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1cnc2ccccc2n1 792101597 BLISYZLXBKCKRK-XDHUDOTRSA-N 431.467 5.618 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=S)NCCCCC(F)(F)F 794977686 GOLWRSVULZFCRM-UHFFFAOYSA-N 429.455 5.730 30 20 IKED Cc1ccccc1-c1noc(C)c1C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 796215458 PCQIRYFCCHXTCD-HNNXBMFYSA-N 449.532 5.006 30 20 IKED C=CCC(C)(C)C(=O)OCc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1 796455960 VWMVPIKIAOFOIC-UHFFFAOYSA-N 427.353 5.780 30 20 IKED CC1(C(=O)[C@H](C#N)c2nc3ccccc3s2)CCN(c2ccc(Cl)cc2C#N)CC1 805844645 MGZTYAYXEJXJOK-KRWDZBQOSA-N 434.952 5.304 30 20 IKED C=CCN(C(=O)c1cc(Cl)c(Cl)nc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 807964857 ZGPTWWUWEITCMR-UHFFFAOYSA-N 449.319 5.561 30 20 IKED C#C[C@@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(Cl)cc1 811963003 FBQXMKUTSKRXTI-PAPYEOQZSA-N 426.788 5.223 30 20 IKED CC1CCN(c2ccc(NC(=O)CCC(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)CC1 817320193 ZYILWRWZXRZZRJ-VWLOTQADSA-N 446.595 5.193 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1 843126427 QYNMDSGLLDWAPQ-UHFFFAOYSA-N 428.344 5.992 30 20 IKED C=CCN(C(=O)c1cc(Cl)nc(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 896565489 KTGNTSVFPSTEDW-UHFFFAOYSA-N 435.292 5.253 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2cccc(OCC#N)c2)ccc1OCc1ccccc1 916682421 MTCMAISATRIDPY-GOSISDBHSA-N 431.492 5.059 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCCc1ccc(Cl)c(Cl)c1 916906773 VMDPQBRSBGUWPU-SFHVURJKSA-N 431.363 5.788 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3c(C)nn(-c4ccc(F)cc4)c3C)n2)cc1 916974960 SPZKWYPYGNFMCQ-JOCHJYFZSA-N 444.535 5.479 30 20 IKED O=C(c1ccc(SC(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918669369 CUAVYSATPURXMI-AOOOYVTPSA-N 425.316 5.501 30 20 IKED Fc1ccc(-c2nn(CN3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c(=S)o2)cc1 918735041 LPOJLUAHQOOWCH-GHMZBOCLSA-N 429.361 5.032 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2cccc3ccccc23)cc1 919904687 SPNXZJJDTDGHGY-IZLXSDGUSA-N 431.539 6.864 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccccc2)CC2CCC2)cc1 920206740 RZICHXZLKQWYIN-SANMLTNESA-N 437.543 5.109 30 20 IKED CCOCCCn1c(NN=C(C)[C@H]2C[C@H]2c2ccccc2Cl)nc2ccccc2c1=O 920370278 TVDWIXLEFBJTKR-UXHICEINSA-N 438.959 5.068 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCc1ccc(C#N)cc1F 920673953 YRUAPEFLPYELNW-CYBMUJFWSA-N 430.888 5.371 30 20 IKED COc1cccc(C2CC(=O)C(=CNc3ccc(-c4cn5ccsc5n4)cc3)C(=O)C2)c1 920978772 QSZXYHSLDFAZCP-UHFFFAOYSA-N 443.528 5.083 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C)nc3)cc2)CCC1 1786838664 AJPUETUCLISJPJ-XMMPIXPASA-N 431.580 5.225 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCCCCC(=O)OC)CCC2)cc1 1789625706 QFIFKGCLDPQDKV-UHFFFAOYSA-N 442.600 5.236 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cc4ccoc4cn3)cc2)CCC1 1790830787 VSCSFIKVUSQFQM-UHFFFAOYSA-N 429.520 5.344 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(F)cn34)cc2)CCC1 1790959242 HNZPYSIBMPUGGX-UHFFFAOYSA-N 448.542 5.214 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3c3ccccc3)CCC2)cc1)C(F)(F)F 1791305160 BUZNURWFCXCGNH-UXHICEINSA-N 428.454 5.043 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4scnc4c3)CCC2)cc1 1791728964 JQHAREIEZFMPKO-UHFFFAOYSA-N 431.561 5.238 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)Cc3cnc(C)s3)cc2)CCC1 1791838220 NZCMLRRZMBRVOL-UHFFFAOYSA-N 425.598 5.121 30 20 IKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)C[C@@H](C)c2ccccc2)[C@H]1c1cccnc1 1803089109 LTPFMFONLKFTQD-UDZXTKBFSA-N 445.607 5.050 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H]3CC[C@H](C)CC3)n[nH]2)c1 1822945897 VTRXPOKTABFBJO-ZQAYVECASA-N 447.583 5.169 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)cc2F)CC1 1830091003 LMAXUIODCQRXNK-QFIPXVFZSA-N 432.555 5.191 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(C)CCCCC3)CC2)c1 1832632658 AJPJCQWGBNUIAU-BWKNWUBXSA-N 449.639 5.517 30 20 IKED CC(C)n1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1Cl 9826754 ALNKDHBZZCETRQ-UHFFFAOYSA-N 446.363 5.435 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccc(N(C)C)cc2)cc1 22695499 XXCJAJBQISNGES-UHFFFAOYSA-O 448.612 5.107 30 20 IKED CCOc1cc(-c2nnc(SCc3cccc(C#N)c3)o2)cc(OCC)c1OCC 29915003 JOECPJFEESRZQP-UHFFFAOYSA-N 425.510 5.097 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccccc1C(F)(F)F 32786581 RNPYFEDWRKTTAD-OAHLLOKOSA-N 446.498 5.193 30 20 IKED C=CCn1c(Sc2cc(CC)nc(-c3ccc([N+](=O)[O-])cc3)n2)nnc1-c1ccoc1C 64905402 NRDVTEXXULLDCN-UHFFFAOYSA-N 448.508 5.111 30 20 IKED C=C(C)CN(CC)C(=O)CNc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C 64949395 QSXWSYDIGYAFDG-UHFFFAOYSA-N 433.474 5.103 30 20 IKED CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)c1cccc(C#N)c1 71794922 RZSNJKDWKNKVPU-UHFFFAOYSA-N 440.934 5.396 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)cc12 301765464 SWBFTGABFXMFDY-MRXNPFEDSA-N 431.908 5.415 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCCCOc1cccc(C#N)c1 303462922 MAKVKVQBGYCJMS-UHFFFAOYSA-N 425.488 5.718 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)nnc1-c1ccccc1 410144359 HAFAXSHXOBMRMH-LJQANCHMSA-N 446.576 5.554 30 20 IKED C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1nc(-c2ccccc2)cs1 410293713 LISVBINCTNOMHF-INIZCTEOSA-N 429.501 5.345 30 20 IKED CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 410308082 JTDTWOGXDCJLLW-QMHKHESXSA-N 446.938 5.837 30 20 IKED CC(C)CCN(CCC#N)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 429098725 KXTWYZMQXSOLTD-UHFFFAOYSA-N 432.996 5.538 30 20 IKED O=C(NC[C@@H]1CCC(F)(F)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 431093119 HWCCLMATDIRORG-RNEBZRLMSA-N 447.410 5.660 30 20 IKED CC1(C)CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)[C@@H]1c1ccncc1 432921436 BVNLSHVAECENRC-XMMPIXPASA-N 426.520 5.342 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1nc(C(C)(C)C)cs1)c1ccc(C(F)(F)F)cc1 434811638 BHWFMKMSHQSMDW-OAHLLOKOSA-N 439.503 5.222 30 20 IKED COc1ccc([C@@H](NCc2cc(C#N)ccc2OC)c2ccccc2)cc1Br 434879799 YWUWGEOEOBSQMW-QHCPKHFHSA-N 437.337 5.217 30 20 IKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)n[nH]2)cc1OC 435457839 GUCNQUFHDPFQHZ-QGZVFWFLSA-N 444.516 5.016 30 20 IKED CC(C)(CO)[C@H](CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccccc1 437394006 LKLFEEGNEDFTIV-HSZRJFAPSA-N 429.520 5.274 30 20 IKED COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(C#N)cc1)CCO2 437840710 MTGNRXRHIKVWHY-UQBPGWFLSA-N 441.531 5.363 30 20 IKED COc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cn2)cc1 438419906 QNBQGAVXAJFUFS-PKTZIBPZSA-N 428.492 5.186 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)n2)cc1 444458448 FQSFSVSQKMBYND-HXUWFJFHSA-N 446.491 5.167 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H]1c1ccccc1OC 460583714 LJKGOWYJOYOJGQ-QHCPKHFHSA-N 427.552 5.276 30 20 IKED Cc1nc(N[C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)c(Cl)cc1C#N 461943915 HUAIDJAVMKBIGZ-HXUWFJFHSA-N 446.359 5.174 30 20 IKED COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)N[C@H](C)c1ccc(C#N)cc1 465667374 WUHPKKZKKOAPDT-LEWJYISDSA-N 427.548 5.471 30 20 IKED C=CCCCCCN(C)C(=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 466272437 LSFDLTOUAHBTLT-JOCHJYFZSA-N 449.016 5.221 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1cn(C(C)(C)C)nc1C 467368737 WWYQIKGIOBHOMN-SFHVURJKSA-N 445.567 5.588 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1CCC(NC(=O)C(C)(C)C)CC1 468854415 FWOBMCKIPWWTKV-UHFFFAOYSA-N 433.552 5.319 30 20 IKED CC(C)c1ccc(C[C@H](C)NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 470549328 MWDITZRFWQWCBW-IBGZPJMESA-N 432.568 5.146 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(C)nn1-c1ccc(C(F)(F)F)cn1 471178412 VOZMIUBCLAXLGJ-UHFFFAOYSA-N 429.446 5.205 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(=O)n(Cc2csc(C(C)C)n2)c1 471364045 RUBRHUUXUQFDKP-UHFFFAOYSA-N 448.013 5.020 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)o1 471551703 PFUBYRDPEUJTOW-UHFFFAOYSA-N 443.434 5.096 30 20 IKED N#C[C@@]1(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)CCc2ccccc2C1 472287106 ORCHTVWPZBCJRO-JOCHJYFZSA-N 442.371 5.227 30 20 IKED COCCc1ccc(Oc2ccc(NC(=O)N(CCC#N)Cc3ccccn3)cc2)cc1 473805275 COPVSRCZFRGWPR-UHFFFAOYSA-N 430.508 5.011 30 20 IKED Cc1nc2ccccc2n1C1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 474634802 FGIQVXBPTGTGGN-UHFFFAOYSA-N 449.558 5.430 30 20 IKED COC(=O)c1cc(F)cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1F 478101461 MVOVOJMVPPZZGG-UHFFFAOYSA-N 442.805 5.321 30 20 IKED C[C@H]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)[C@H](c2ccco2)C1 480315385 PCGWIHCANQRZTE-CYFREDJKSA-N 429.520 5.930 30 20 IKED C[C@H](N[C@H](CC(F)(F)F)c1ccccc1)c1ccc(OC(F)F)cc1OC(F)F 480906155 HLQWMQAAMBKCTM-XHDPSFHLSA-N 425.344 6.234 30 20 IKED CC(C)[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1nc(C2CC2)no1 481690052 YFWJVLBOVSILJX-NRFANRHFSA-N 449.486 5.056 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)Nc1ccccc1SC[C@@H](C)C#N 482524249 AKGCSIUKBBZPLP-HNNXBMFYSA-N 438.984 5.706 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(F)c(F)c(F)c3)s2)c(C(F)(F)F)c1 482760493 LLIGRYTYLGHERU-UHFFFAOYSA-N 441.356 5.294 30 20 IKED CCc1c(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cnn1-c1cccc(Cl)c1 485341875 NKKMYYDDURKTLC-NZQKXSOJSA-N 433.943 5.392 30 20 IKED C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@H](CCCC#N)c1ccccc1 487456657 VSDFECHWDBKZSA-OXQOHEQNSA-N 427.342 5.209 30 20 IKED C=CCn1c(SCC(=O)N(CC)[C@H](C)c2ccc(F)cc2)nnc1-c1ccccc1C 488881507 OPTVRFKUEFFZRW-GOSISDBHSA-N 438.572 5.280 30 20 IKED C=CCn1c(SCCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccc(C)cc1 489628379 MZXXTNDMEZFGKV-UHFFFAOYSA-N 446.498 5.579 30 20 IKED N#CCCN(Cc1ccco1)C(=O)c1cccc(OCc2ccccc2Br)c1 490633270 YJPBMMSVZLFIMD-UHFFFAOYSA-N 439.309 5.177 30 20 IKED CSc1nc(O)c(C(=O)Nc2ccc(N[C@H](C)c3ccccc3)c(Cl)c2)cc1C#N 491954579 DZIIUDADNFXNGN-CYBMUJFWSA-N 438.940 5.460 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3ccc(Cl)c(C#N)c3)c3cnn(C(C)C)c3n2)c(C)o1 494707744 GNEOVJKIZHLKKA-UHFFFAOYSA-N 433.899 5.666 30 20 IKED C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1noc(-c2ccccc2)n1 495366192 XJKGUEYOOQKFJT-INIZCTEOSA-N 426.501 5.250 30 20 IKED COc1cccc(C[C@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 497463666 DUUDPCKCOBRPEY-IBGZPJMESA-N 429.520 5.093 30 20 IKED Cc1cc(C(=O)N(C)[C@@H](c2ccc(Cl)cc2)C(F)(F)F)nn1-c1cccc(C#N)c1 503432118 QQFYDMDLEKTPGU-IBGZPJMESA-N 432.833 5.081 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)N3CCC(c4nc5cc(Cl)ccc5s4)CC3)CC2)c1 505213191 IRHXBNNWGJZTDX-UHFFFAOYSA-N 439.943 5.398 30 20 IKED Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)N[C@H](C)c2ccc(C#N)cc2)n1 505358368 WDBONOPOUFTWEZ-OAHLLOKOSA-N 427.430 5.262 30 20 IKED N#C[C@@H](C(=O)Nc1nc2ccccc2s1)c1nc(-c2ccc(Cl)cc2Cl)cs1 505450213 ZOXRAOWEHJAKMO-LBPRGKRZSA-N 445.356 5.972 30 20 IKED CC1(C#N)CCN(C(=O)Nc2ccc(OCc3ccccc3)c(Br)c2)CC1 506633030 DMZJCUKEBHLAIL-UHFFFAOYSA-N 428.330 5.186 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1cccc(OC(C)(C)C)n1 506911490 RDYFQTQLDOVCHA-INIZCTEOSA-N 429.611 5.525 30 20 IKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 507741679 SHIFJOFXHDSZIU-UHFFFAOYSA-N 444.554 5.110 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1Cl 510022082 BKNCCKPRJBNBSB-FYYLOGMGSA-N 448.954 5.547 30 20 IKED CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511362509 LFARVEJSMFHWRX-QHCPKHFHSA-N 431.561 5.934 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(OC(F)F)c(OC)c2)cc1 512535022 BOVVBYWNZVCVPG-UHFFFAOYSA-N 440.402 5.221 30 20 IKED CCc1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cnn1Cc1ccccc1 514500655 SPDVEWGNOJHTBW-UHFFFAOYSA-N 436.515 5.197 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)cc2)ccn1 514666262 UIVFGSOFQITHJG-UHFFFAOYSA-N 449.392 5.202 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(CC)cccc2CC)nnc1-c1cccc(C)c1 514955327 RIWDZYQMRLRTNT-GOSISDBHSA-N 434.609 5.684 30 20 IKED Cc1cc(NC(=O)c2occc2COc2cccc(C#N)c2)c(F)cc1Br 516511502 WCKLKYJHZMWTAN-UHFFFAOYSA-N 429.245 5.193 30 20 IKED Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c(Br)c1 517457500 XWESVBBKBYLJLY-GJZGRUSLSA-N 433.371 5.415 30 20 IKED Cc1nc(CCC(=O)N[C@H](C)c2ccc(C#N)cc2)oc1-c1ccc(Br)cc1 518027074 FERWNYNPIVSULA-CQSZACIVSA-N 438.325 5.094 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 518140079 BZHWIBIMOIGNPA-ZFWWWQNUSA-N 448.375 5.237 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccnc1Oc1cccc(F)c1 518255999 VGQWCGATEOLHFO-INIZCTEOSA-N 436.512 5.729 30 20 IKED COc1cc(OC)c2cc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)[nH]c2c1OC 518733642 MJGOXZVJRUBLSA-UHFFFAOYSA-N 443.459 5.110 30 20 IKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)N[C@@H](C)c3ccc(C#N)cc3)c2)c1 518739489 FMGFCDOOEFAYNI-SFHVURJKSA-N 427.508 5.071 30 20 IKED CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 521722008 XWJDPVCDALMVLI-LJQANCHMSA-N 428.488 5.278 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H](c3ccccc3)C(F)(F)F)c2)c1 522463286 OXZHHPOUSRWOLU-FQEVSTJZSA-N 438.409 5.236 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)c1ncc(-c2ccccc2)o1 522864615 OPONVXYDTBZRJM-INIZCTEOSA-N 436.512 5.691 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(OCc3cscn3)c2)c1 523276042 YSJBHEHPFGNIIG-UHFFFAOYSA-N 431.473 5.018 30 20 IKED CC(=O)N(CCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)Cc1ccccc1 523866063 XTCNUYGPDQFASY-XMMPIXPASA-N 445.950 5.373 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 524250038 XPKMDEOALWCANS-UHFFFAOYSA-N 426.451 5.227 30 20 IKED CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 532130679 TWIHDOSKIOCPCS-IBGZPJMESA-N 435.524 5.326 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3cc(CC#N)ccn3)c3cnn(C(C)C)c3n2)c(C)s1 532433742 SCESJLOBDBXTCJ-UHFFFAOYSA-N 430.537 5.071 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2ccc(Cl)cc2)n1)c1nc(-c2c(F)cccc2F)cs1 533868083 KUQAZFKQUNMNDR-AWEZNQCLSA-N 440.862 5.417 30 20 IKED CCO[C@@H](C)c1nccn1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)CC)C2 534069557 QHUXIBWRMCSUJE-JKSUJKDBSA-N 428.602 5.094 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(C(F)(F)F)nc2)cc1 534908304 GEWQSHKSYFTRJC-UHFFFAOYSA-N 428.389 5.345 30 20 IKED CCc1nc2c(s1)[C@@H](N(C)C(=O)NCc1ccc(-c3ccccc3C#N)cc1)CCC2 538105821 GKWUSFZQIVTDRT-QFIPXVFZSA-N 430.577 5.463 30 20 IKED CSc1cccc([C@@H](NC(=O)Nc2cc(C)n(CCC#N)n2)c2cc(F)ccc2F)c1 540814693 YKAOTRVWGZPTJX-OAQYLSRUSA-N 441.507 5.016 30 20 IKED CC(=O)N[C@@H](CC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc(Cl)cc1 542001974 YKYDZSKCPKPTLM-NSYGIPOTSA-N 445.950 5.323 30 20 IKED CCc1nc(C)c([C@@H](C)N(C)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1 542086778 VXSGBLZUWYAMES-SJLPKXTDSA-N 432.593 6.016 30 20 IKED CC(=O)Nc1ccc(F)c(C(=O)N(C)[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1 542178249 DVSIRZNIUMHOER-INIZCTEOSA-N 436.327 5.179 30 20 IKED CC1(C(=O)N2CCC(c3ccccc3F)CC2)CCN(c2ccc(Cl)cc2C#N)CC1 553030341 IONQKEYXWUQRCT-UHFFFAOYSA-N 439.962 5.363 30 20 IKED CCOc1c(Br)cc(C(=O)Nc2ccccc2SCCC#N)cc1OC 553330193 ZGHOSHBGKUKGON-UHFFFAOYSA-N 435.343 5.114 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1)[C@@H]1C[C@H]1C 563563743 DKMKEYUXWQKNIP-WXTAPIANSA-N 439.515 5.151 30 20 IKED Cc1cc(N2CCCCCC2)ccc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 574554029 UYDFWDAHMGDWEO-UHFFFAOYSA-N 427.552 5.405 30 20 IKED CCc1cccc2c(C3CCN(C(=O)Nc4ccccc4S[C@H](C)CC#N)CC3)c[nH]c12 583757265 KUFNRHOTIXSMNJ-GOSISDBHSA-N 446.620 6.536 30 20 IKED Cc1csc(Nc2ccc(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)cc2)n1 584025623 PIQMWSVKJCVEOI-UHFFFAOYSA-N 445.548 5.030 30 20 IKED Cc1cc(Br)c(C(=O)N[C@H](C#N)c2ccccc2Br)cc1Cl 587494754 CGBXSHZTUVFXJY-OAHLLOKOSA-N 442.538 5.168 30 20 IKED Cc1cc(N(CCC#N)C(=O)CSc2ncc(-c3ccc(F)cc3)o2)ccc1Cl 590666387 RUMNGULFBYNCAM-UHFFFAOYSA-N 429.904 5.482 30 20 IKED Cc1noc(C)c1CSc1ccccc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 592973308 CNAMEYHOMYWDIJ-MRXNPFEDSA-N 437.521 5.823 30 20 IKED Cc1ccccc1-n1ncc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c1C(F)(F)F 592973325 CXJBMRVCTXRAQE-CYBMUJFWSA-N 444.413 5.438 30 20 IKED CC1CCC(C#N)(N(C)C(=O)[C@H](C)Sc2nnc(-c3ccc4ccccc4c3)o2)CC1 603726442 IZKJPZNFYHCRDW-COYMHYPVSA-N 434.565 5.301 30 20 IKED Cc1nc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)sc1SCC#N 603775512 MKRIMTFJXIBDEY-UHFFFAOYSA-N 425.501 5.537 30 20 IKED C=CCc1cc([N+](=O)[O-])ccc1OCc1csc(N(C(C)=O)c2ccc(F)cc2)n1 603947969 OMQYTRWFQWVUGT-UHFFFAOYSA-N 427.457 5.183 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 603991332 IXRHKVKUGVSGQR-KRWDZBQOSA-N 434.515 5.155 30 20 IKED CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccc(C)cc1 604419879 GKCAGYHXIKESJV-QHCPKHFHSA-N 427.504 5.173 30 20 IKED CC(C)CCn1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nn1 607274903 WAWIIFVZHYGXKU-CQSZACIVSA-N 434.352 5.245 30 20 IKED Cc1nc(-c2ccc([C@@H](C)NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cc2)cs1 609056394 PREDVUJCVHALKR-MRXNPFEDSA-N 443.528 5.653 30 20 IKED N#CCn1c(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc2ccccc21 609161476 HUMVKHIKRDPFMD-UHFFFAOYSA-N 445.526 5.007 30 20 IKED CCCCOc1ccc(C(=O)N[C@H](C#N)c2ccccc2Br)cc1OCC 609591667 WKOOAZNOWRMHIW-GOSISDBHSA-N 431.330 5.021 30 20 IKED CC(C)n1c([C@@H]2CCCN(C(=O)c3cc4ccccc4n3CC#N)C2)nc2ccccc21 609622814 NVIJGDOEECEVSW-HXUWFJFHSA-N 425.536 5.115 30 20 IKED CCN(Cc1ccc(-c2ccc(C(C)(C)C)cc2)s1)C(=O)NC1CCN(CC#N)CC1 609805811 RRCFQYYLOPNPLW-UHFFFAOYSA-N 438.641 5.232 30 20 IKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 609991228 LSUYNHUYDRDAKS-UHFFFAOYSA-N 446.510 6.115 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1 610094558 PNRYKTVICOCPNR-QHCPKHFHSA-N 429.476 5.471 30 20 IKED Cc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)ccc1NC(=O)CC(C)C 610223121 QNKPNXZAOYXRNS-UHFFFAOYSA-N 432.549 5.151 30 20 IKED CC1CCC(N(C(=O)c2cc3ccccc3n2CC#N)c2cccc(N3CCCC3)c2)CC1 610230961 IAKPRNAAOSDRDS-UHFFFAOYSA-N 440.591 5.991 30 20 IKED C[C@H](NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1)c1cccc(C#N)c1 610360921 KWGGNZNGNGLYAD-HNNXBMFYSA-N 448.320 5.064 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)c(Cl)c1 611094101 NDOKBGWYTVEOMV-UHFFFAOYSA-N 440.286 5.135 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nn1C(C)(C)C 613344796 QWASTOQYXQDZMU-AWEZNQCLSA-N 433.364 5.867 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 614072948 LBQNCYHLFXSWEH-KRWDZBQOSA-N 441.000 5.020 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(Cc1cccc(F)c1)C1CC1 616089940 JEJXDXXPGCFTCS-CHWSQXEVSA-N 426.376 5.409 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1 618849409 APVHTYGPQMKZLN-CJAUYULYSA-N 425.532 5.624 30 20 IKED C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCC2(CC1)OCc1ccccc12 669807279 DSWULXXCRPGVGU-UHFFFAOYSA-N 432.593 5.091 30 20 IKED C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 670194751 SBRSTJXBRNLMDZ-SFHVURJKSA-N 429.524 5.055 30 20 IKED O=C(N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 682204139 KMZHQEAOKBGXRQ-STQMWFEESA-N 449.313 5.107 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=S)NCc2cccc(C(F)(F)F)c2)cc1 726461755 XOWGOSGGNPYTGJ-OAQYLSRUSA-N 425.479 5.847 30 20 IKED N#CCn1cc(NC(=O)c2sc3ccccc3c2CSc2ccccc2Cl)cn1 726533849 MDDYOSFZALKTCL-UHFFFAOYSA-N 438.965 5.819 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1nnc(-c2ccccc2)o1 728062374 MBYMJSNCPDTBBJ-MRXNPFEDSA-N 430.895 6.014 30 20 IKED CC[C@@H](C)n1c(-c2ccccc2)nn(CN2CCCN(c3ccccc3C#N)CC2)c1=S 728708849 KCFYCEPEBWCFHS-HXUWFJFHSA-N 446.624 5.094 30 20 IKED O=C(Nc1cccc(/C=C\C(=O)c2ccc(C(F)(F)F)nc2O)c1)c1ccc(Cl)cc1 731564760 SJRUHIYAPNLHKQ-WMZJFQQLSA-N 446.812 5.608 30 20 IKED CCOC(=O)c1c(-c2ccc(C)s2)csc1NC(=O)Cc1ccc(OCC#N)cc1 731965391 XQPQKMGJUURIIA-UHFFFAOYSA-N 440.546 5.045 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@@H](O)c1ccc(F)cc1 732419876 KMHHNMMKPRXUCZ-PNDGYVOYSA-N 437.902 5.378 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc(N(C)C)cc2C)cc1 734650275 MDFKYEDVCXQBTQ-UHFFFAOYSA-N 430.508 5.055 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](Cc2ccccc2)c2cccs2)ccc1OC 735189611 DQGKQJUVSPVOHQ-RTWAWAEBSA-N 449.576 5.221 30 20 IKED CC(C)c1ccc(CCCNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 735200285 KBYYFQIEQFPTTA-AREMUKBSSA-N 439.559 5.153 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)CCO1 736727885 VSCYXZQNMACQKF-IBGZPJMESA-N 443.572 5.328 30 20 IKED Cc1oc(-c2ccccc2F)nc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 737554194 CHVLBYNHUBVDLT-UHFFFAOYSA-N 449.429 6.066 30 20 IKED N#Cc1ccc(-c2cccc(CN[C@@H](C(=O)NCc3ccccc3)c3ccccc3)c2)s1 739996199 BGNKWENTUUJSLO-AREMUKBSSA-N 437.568 5.434 30 20 IKED C#CCN(C(=S)Nc1cccc(OCC)c1)[C@H]1CCOc2ccc(Br)cc21 742997858 GIPBJSJKQANBML-IBGZPJMESA-N 445.382 5.004 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C)c(NC(=O)OC(C)(C)C)c2)cc1 744029703 WEPWSMNFAVZATN-OAQYLSRUSA-N 449.551 5.646 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3cccc(OCc4ccc(Cl)cc4)c3)o2)cc1 744957352 RYFRBDXKUYKCFJ-UHFFFAOYSA-N 445.862 5.198 30 20 IKED N#Cc1ccc([C@@H](OC(=O)c2ccc(Oc3ccc(Cl)cc3Cl)cc2)C(N)=O)cc1 745766579 BEXRZLLKJYHPSV-HXUWFJFHSA-N 441.270 5.041 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2cccc(Cl)c2o1 753529405 XLYMDKFVEBQHNA-ZDUSSCGKSA-N 428.897 5.133 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)cc1 758134965 MEFZUHYHODSJPS-UHFFFAOYSA-N 438.237 5.274 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)O[C@H](C#N)C(C)(C)C)cs2)cc1 765617325 MPZQGHRIUFEKNJ-QGZVFWFLSA-N 429.542 5.176 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(Cl)nc1C(F)(F)F 766400922 WFLZWIGPBVILLT-BQBZGAKWSA-N 442.709 5.393 30 20 IKED COc1cccc([C@@H](C#N)NC(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)c1OC 768151069 DKAHMYYYHKRORN-OFNKIYASSA-N 436.508 5.057 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCCN1Cc1ccc(F)cc1)c1nc(-c2c(F)cccc2F)cs1 768791228 YECJYBLGQIBTAX-UZLBHIALSA-N 441.478 5.068 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(CC(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)c1 772237477 TXGSWXXAVMCPRU-UHFFFAOYSA-N 447.457 5.039 30 20 IKED N#CCOc1ccc(CN[C@@H](Cc2ccccc2F)c2ccccc2Br)cc1 772957735 GPIGICPAAACCJA-QHCPKHFHSA-N 439.328 5.564 30 20 IKED Cc1ccccc1-c1nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)s1 773980267 PSJSINADRVWEAY-OAHLLOKOSA-N 444.343 5.695 30 20 IKED C=CCC[C@@H](C(=O)O[C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 778559886 XWNBQDMEFQYUDZ-WCQYABFASA-N 427.369 5.002 30 20 IKED COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5ccccc5O[C@@H](C)C#N)(C4)C2)C3)cc1 780148828 MUUUUYXFXBIZSC-VUOUXNFNSA-N 430.548 5.463 30 20 IKED Cc1nc(F)ccc1/C=C1/CC(C#N)(c2ccccc2)C/C(=C/c2ccc(F)nc2C)C1=O 782304935 XOGFESKBCIXCNU-HDSGJDLKSA-N 441.481 5.663 30 20 IKED CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 782708397 LQEMSQJFJXCLIV-DNVJHFABSA-N 448.567 5.299 30 20 IKED Cc1ccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC(C)C 787600874 MOGJEXHUEWKVKH-HSZRJFAPSA-N 427.504 5.015 30 20 IKED O=C1/C(=C\c2cccc(OCc3ccccc3Cl)c2)CCc2c1cnn2-c1ncccn1 792899391 IBSVCLSWEPIHRZ-AQTBWJFISA-N 442.906 5.107 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cc(-c3cncc(F)c3)ccc2C)ccc1OC 801893471 XGGYLDHPBFWJDJ-OAQYLSRUSA-N 448.498 5.207 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(Cc2ccccc2Cl)CC2CC2)ccc1OC 806806990 SIBRLCUZXPBNHT-FQEVSTJZSA-N 441.959 5.151 30 20 IKED O=C(Cc1ccc(F)cn1)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 807222140 KDHBNWMKFRXWJI-AWEZNQCLSA-N 448.260 5.221 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 808816198 NHTAQKYKIZUTEE-QHCPKHFHSA-N 439.475 5.096 30 20 IKED CC(C)(C#N)c1ccc(-c2nc(CC(=O)Nc3ccc(SC(F)F)cc3)no2)cc1 809455962 HWTPXXKDIHLENW-UHFFFAOYSA-N 428.464 5.034 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@@H]1COC(=O)NC1CCCC1 809890846 ICOZSCGOEHYATD-OAQYLSRUSA-N 427.589 5.594 30 20 IKED O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCCSC1=Nc1ccccc1 821736043 WLNXYEKAUUVHFV-UHFFFAOYSA-N 425.941 5.581 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12 914450134 VZDWAJDQVZYEDP-UHFFFAOYSA-N 434.524 5.655 30 20 IKED Cc1nc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)sc1SCC#N 916089383 DDBJBAPUXGNJTN-UHFFFAOYSA-N 431.546 5.172 30 20 IKED COC(=O)c1ccc(COc2ccc(/C=C\C(=O)c3ccc(F)cc3F)cc2OC)cc1 916127559 JAAUHIWJYPAMIT-WZUFQYTHSA-N 438.426 5.235 30 20 IKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1C1CC1 916215489 GZDBATQWYBFPBA-LJQANCHMSA-N 427.957 5.080 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cc(Br)cs1 916309354 GFIKGJJWAPIAFF-UHFFFAOYSA-N 430.352 5.140 30 20 IKED CCOc1cc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)cc(Cl)c1O 916309592 IJQRFPRRSAZWNR-UHFFFAOYSA-N 439.924 5.073 30 20 IKED N#C[C@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)c1nc2ccccc2[nH]1 916844565 MMUOAHHAZGXKSO-HXUWFJFHSA-N 440.453 5.798 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2nn(-c3ccc(C)cc3)c3c2CCC3)cc1 916949080 LMSONLRPNYRDHV-WZONZLPQSA-N 440.547 5.144 30 20 IKED CC(C)(C)c1noc(CCC(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)n1 917031824 AKNQXQAXGPMAQK-IEEVTGIFSA-N 438.597 5.100 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(-n3cccn3)cc2)cc(Br)c1OC(F)F 917143064 GTMXRUJISVAAPH-FPYGCLRLSA-N 449.251 5.141 30 20 IKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)sc2nc(C(F)(F)F)ccc12 917424291 JNDMFXPEQZKIAH-ZDUSSCGKSA-N 437.830 5.238 30 20 IKED N#CCCN(C(=S)Nc1ccccc1Oc1ccccc1)c1ccc2c(c1)OCCO2 917571779 FBGCZRLXHSCSMV-UHFFFAOYSA-N 431.517 5.367 30 20 IKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cc(C)[nH]c2C)cc1 917612196 MPALBJKASFRFKB-UHFFFAOYSA-O 445.612 6.018 30 20 IKED C=CCN(Cc1ccc(Cl)s1)Cn1nc(-c2ccc(F)cc2)c2ccccc2c1=O 917612950 AFYPOZVOKGEQAP-UHFFFAOYSA-N 439.943 5.563 30 20 IKED CC(C)c1cccc(N=C2NC(=O)[C@@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)S2)c1 917635017 GLXFLOATMDVGTK-QGZVFWFLSA-N 436.364 5.365 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 920105578 HSPQLNRSRMCUPZ-QHCPKHFHSA-N 434.495 5.698 30 20 IKED CNC(=O)C[C@H]1SC(=Nc2ccc(C(C)C)cc2)N([C@H](C)c2ccc(C)s2)C1=O 920172800 KSGRPBVMHXCGQQ-DNVCBOLYSA-N 429.611 5.009 30 20 IKED C[C@@H](OC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)Nc1cccc(C#N)c1 921225959 XODZOVXNTSZEDS-LLVKDONJSA-N 446.315 5.173 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCc3cncc(C)c3)cc2)CCC1 1786856536 VGNWGPNXGNXOAM-DEOSSOPVSA-N 431.580 5.225 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4ccccc4)cc3)CCC2)c1 1787745642 DIRRHGJMFGISBC-HXUWFJFHSA-N 437.543 5.304 30 20 IKED Cc1cccc(-c2cnccc2C(=O)Nc2ccc(C3(NC(=O)[C@H](C)S)CCC3)cc2)c1 1788358830 VNRJJTDUXFYWAZ-SFHVURJKSA-N 445.588 5.123 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3[nH]c4c(Cl)cccc4c3C)cc2)CCC1 1788501533 ZSBNHMYFVSRCMP-UHFFFAOYSA-N 433.939 5.291 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)CCC2)cc1 1791588181 ISMBMUDIRIAINM-UHFFFAOYSA-N 439.515 5.752 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(Cl)cc1C 1800788893 HWTGOUCVNFROGF-XMTFNYHQSA-N 435.395 5.322 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C(F)(F)F)c1C 1803837548 VNVGDQMZKNEHEY-RDGPPVDQSA-N 434.502 5.034 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)CCc3ccccc3Cl)CC2)C1 1805453319 AVXLKAQCDDHALI-UHFFFAOYSA-N 443.031 5.272 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)[C@H]1c1cccnc1 1810182582 OZOQNKPEWSKSHM-BYWXWQNBSA-N 437.628 5.072 30 20 IKED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccc(C)cc3)C2)CC1 1810351344 PMYCKFQAOPYNIQ-QFIPXVFZSA-N 445.607 5.114 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)sc2Cl)n[nH]1 1819966256 SBMYCPLGYXYPBZ-BXUZGUMPSA-N 441.384 5.296 30 20 IKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ccccc23)CC1 1824537329 GAGJHJSANZQPSP-BJKOFHAPSA-N 438.637 5.028 30 20 IKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)[C@@H](C)CC)CC1 1826421996 DSAHQEDYZHNTPO-RIACCQAKSA-N 436.640 5.240 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3cccnc23)CC1 1828038353 UDJRIGUQZAQLSG-ZCYQVOJMSA-N 445.607 5.237 30 20 IKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cccc(F)c4s3)CC2)C1 1828151718 HTPFRJACXRNXKU-OAQYLSRUSA-N 440.584 5.240 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSC2CCCC2)CC1 1829068034 AKWZBETWBJSCKK-JOCHJYFZSA-N 434.690 5.274 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cnc2Cl)CC1 1829069017 FFZRHLQMMBZOBN-FQEVSTJZSA-N 449.998 5.100 30 20 IKED CC1(C)CCC(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)CC1 1830423231 JDWGWWGWZFXMME-VWLOTQADSA-N 449.639 5.398 30 20 IKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1830784774 UVRRWPMAHDIQAH-QFIPXVFZSA-N 449.422 5.339 30 20 IKED CC1=CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)CC1 1832632450 QZGDUHPSNUTMNN-KJOQGJGQSA-N 447.623 5.293 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1OC 9204957 JFQIMTUMJGPFON-UHFFFAOYSA-N 449.363 5.177 30 20 IKED C=CCNc1nnc(SCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)s1 11392720 VEIJTPAYGFPSDN-UHFFFAOYSA-N 431.612 5.186 30 20 IKED C[C@H](OC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)C(=O)Nc1ccccc1C#N 21458352 MJSXLLRHLXKKTJ-INIZCTEOSA-N 439.446 5.097 30 20 IKED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 22112915 ZLCQAQHKKJYUSH-CPJLOUKISA-N 449.938 5.155 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC1CCN(Cc2ccccc2)CC1 24590463 JMQHYEBWQHNBIT-UHFFFAOYSA-N 427.573 5.104 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)NCc2ccccc2)[n+]2ccc(C(C)(C)C)cc2)cc1C 28777447 IANYBSGHLBIKKO-UHFFFAOYSA-O 431.625 5.617 30 20 IKED Cc1ccc(NC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)c(F)c1 63654097 MMHWEYYMBCATQT-UHFFFAOYSA-N 425.300 5.269 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)s2)cc1 105400911 KMANJVOOWNPOCK-CVEARBPZSA-N 426.954 5.098 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c(C)n1[C@@H](C)c1ccccc1 195662622 QSABCDHLUBBTLC-JTSKRJEESA-N 426.545 5.723 30 20 IKED CS(=O)(=O)c1cccc([C@@H](Nc2ccc3cc(C#N)ccc3n2)c2ccc(Cl)cc2)c1 301986029 UIAQBXSJOSFCFN-DEOSSOPVSA-N 447.947 5.365 30 20 IKED C[C@@H](Nc1ccc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cc1[N+](=O)[O-])c1ccccn1 430640481 KMZDQTCRQVYBFO-ZBFHGGJFSA-N 449.536 5.407 30 20 IKED CC(C)CCN1CCC(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 431569343 HMPTUSJXXZYIMX-UHFFFAOYSA-N 435.637 5.338 30 20 IKED C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(Br)cn1 432065291 SPQLGVKHIHMTOI-CQSZACIVSA-N 437.297 5.391 30 20 IKED C[C@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)Cc2ccccc2O1 432920112 WWYXNXKPMLTQJE-IBGZPJMESA-N 427.504 5.147 30 20 IKED C=CCN(C(=O)c1cc(-c2ccccc2)ns1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 437364018 IFZRMRAUTVCWKF-UHFFFAOYSA-N 448.529 5.675 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NCCc3ccn(-c4ccc(F)cc4)n3)c2)cc1 438028661 GGWHMXNGSNMMIC-UHFFFAOYSA-N 441.466 5.040 30 20 IKED Cc1ccc(CCN(Cc2ccco2)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 438071427 JFZIBRBSCCPDEU-FQEVSTJZSA-N 433.577 6.117 30 20 IKED Cc1ccc([C@@H]2CCCCCN2C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)o1 440970799 UTUCWKIKCUIMAV-HKUYNNGSSA-N 425.554 5.065 30 20 IKED Cc1c([C@H](NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C(C)C)oc2ccccc12 441901630 OOPDAUISYZKJLJ-LJQANCHMSA-N 443.425 5.084 30 20 IKED N#CCCCOc1cccc(NC(=O)C(=O)Nc2ccc(Cl)cc2-c2ccccc2)c1 443692801 LXQNUVFAQNWERB-UHFFFAOYSA-N 433.895 5.267 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 443925938 WHEXSFBMTJEKFG-LJQANCHMSA-N 440.478 5.173 30 20 IKED FC(F)c1cccc(-c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)no2)c1 445806484 WITOZINAOPHBJR-UHFFFAOYSA-N 439.262 5.696 30 20 IKED Cc1ccc2nc(CNC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)[nH]c2c1 467692299 RVSQKMFIIPPUBJ-UHFFFAOYSA-N 445.910 5.297 30 20 IKED N#CCCCn1cc(C(=O)N2CCC3(CCN(Cc4ccccc4)C3)CC2)c2ccccc21 469739948 RVTRTKZYUJXBPW-UHFFFAOYSA-N 440.591 5.073 30 20 IKED C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470536344 BRGDYYTXRYRJNW-LJQANCHMSA-N 430.552 5.102 30 20 IKED N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc1 470733546 PGTHOLILRWEQMP-LBPRGKRZSA-N 433.345 5.371 30 20 IKED CC(C)c1oc([C@H]2CCCN2CC(=O)N(CCC#N)c2ccccc2)nc1-c1ccccc1 471181934 OXGOQQIDEUHLTG-HSZRJFAPSA-N 442.563 5.549 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Nc3cc([C@@H]4CCCOC4)[nH]n3)cc2Cl)cc1 471249579 IKWJHKHCOGHZHJ-OAHLLOKOSA-N 437.887 5.265 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 472323963 VHONYSSUOFLSKM-IZZNHLLZSA-N 440.547 5.013 30 20 IKED N#CCc1ccc(NC(=O)N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)cc1 473961946 FDWVIIMKZHWMSG-NRFANRHFSA-N 435.325 5.016 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cnn4c(-c5ccccc5)ccnc34)c2)c1 480150553 DRIGXZVLTUMRDL-UHFFFAOYSA-N 445.482 5.099 30 20 IKED N#Cc1ccc(NC(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1C(F)(F)F 483591695 YQBZTJMBSRVYSE-GOSISDBHSA-N 441.413 5.386 30 20 IKED CN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 484070806 FYDRJEOYUTUPMZ-DNVCBOLYSA-N 428.376 5.855 30 20 IKED CCOc1ccc([C@H](CNC(=O)c2ccc(C#N)s2)c2c[nH]c3ccccc23)cc1OC 486856641 JIAPFTSDYSNLGJ-IBGZPJMESA-N 445.544 5.070 30 20 IKED Cc1cccc2nc(C3CCN(C(=O)Nc4ccc(C#N)c(Br)c4)CC3)oc12 487959248 RKWVVNRAQPCZIA-UHFFFAOYSA-N 439.313 5.182 30 20 IKED C[C@@H](c1ccc(C#N)cc1)N1CCC(c2nc(-c3ccccc3Br)no2)CC1 488168627 IJTVHNKMLUZTEH-HNNXBMFYSA-N 437.341 5.311 30 20 IKED CC(C)(C#N)c1ccccc1CN1C(=O)[C@H](c2cccs2)N(Cc2ccccc2)C1=O 488680005 WYRODYXXDRWUEJ-QFIPXVFZSA-N 429.545 5.255 30 20 IKED Cc1csc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1Br 489913070 LDSCTTCUMAGBHC-UHFFFAOYSA-N 429.364 5.770 30 20 IKED CCN(C(=O)CSc1ccc(C#N)cc1)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 496512105 CRYKWFKWZFAZNH-SANMLTNESA-N 429.589 5.807 30 20 IKED C=CCc1cc(C(=O)N(CC)[C@@H](c2cccnc2)c2ccc(F)c(C)c2)cc(OC)c1OC 497887588 BGQXCAFGXWPLLG-RUZDIDTESA-N 448.538 5.527 30 20 IKED CCc1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)nn1-c1ccccc1Cl 499164233 LBFIHIYZUGEUTL-INIZCTEOSA-N 447.951 5.405 30 20 IKED Cc1csc(Sc2ccc(C(=O)N[C@@H](C#N)c3ccc(Cl)cc3)cc2[N+](=O)[O-])n1 499858609 CXBPYKAZAOMYGC-HNNXBMFYSA-N 444.925 5.159 30 20 IKED COc1cc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(C)c(OC)c1 502151815 NOVACWCMRDTTQM-UHFFFAOYSA-N 431.492 5.301 30 20 IKED Cc1nc(NC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)sc1SCC#N 504801540 NTXGDDFSPKRGHX-UHFFFAOYSA-N 441.390 5.750 30 20 IKED CC(C)N(Cc1cccc(OCc2ccccc2C#N)c1)Cc1nc(O)c2ccccc2n1 507444143 VYZJRZABWJHCFV-UHFFFAOYSA-N 438.531 5.197 30 20 IKED C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 508907559 NMKSQROHJBPWRV-AWEZNQCLSA-N 447.370 5.328 30 20 IKED CCN(C(=O)Cn1c(COc2ccccc2)nc2ccccc21)[C@H](C)c1ccc(C#N)cc1 509565326 WDQOVEVFZRHMMU-HXUWFJFHSA-N 438.531 5.097 30 20 IKED COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 510492235 QXIZMSQJWKOKJU-KRWDZBQOSA-N 431.492 5.559 30 20 IKED N#CCC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccccc2)CC1 514922510 ZIVLLFBURUEBBO-UHFFFAOYSA-N 426.351 5.430 30 20 IKED CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 515420960 MTRFHMUEJGHSPL-QGZVFWFLSA-N 445.544 5.215 30 20 IKED COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 516379154 JFORQHVOHYRZGQ-MOPGFXCFSA-N 429.520 5.345 30 20 IKED Cc1ccc(-n2nc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c3c2CCC3)cc1 516713570 UJHCDAXZSQDDNK-NRFANRHFSA-N 449.539 5.155 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cnn1-c1cccc(Cl)c1 516714073 OPNWHBXPEMNSCE-IBGZPJMESA-N 443.919 5.319 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1ccccc1Br 518668130 VKULLCFPGMQVMU-CQSZACIVSA-N 435.412 5.573 30 20 IKED CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 519619128 XSLNWCYXOCIYNZ-QTLGCAHFSA-N 442.519 5.218 30 20 IKED Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C)(C#N)CC3)n2Cc2ccccc2)c1C 519642053 AZTGWUBCDKZKAZ-NRFANRHFSA-N 429.568 5.213 30 20 IKED N#C[C@@H](C(=O)c1sccc1Br)c1nc(-c2c(F)cccc2F)cs1 521260619 GTPYPCNYSMPNFK-QMMMGPOBSA-N 425.279 5.402 30 20 IKED Cc1ccc(C)c(-n2ccnc2SCC(=O)Nc2ccccc2S[C@H](C)CC#N)c1 521723696 QTAHYFGUAULVLX-GOSISDBHSA-N 436.606 5.614 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCC1(c2cccc(Cl)c2)CCOCC1 521811540 KYILRXCBFALQOC-QGZVFWFLSA-N 444.000 5.604 30 20 IKED COc1ccc(-c2nc(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)cs2)cc1OC 522206795 QIBXSZXYHWRSRZ-CQSZACIVSA-N 448.331 5.129 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(COc4ccccc4C#N)c3)n2)cc1 522294133 XYXVBXYTGKAXSQ-HSZRJFAPSA-N 449.535 6.059 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c1 522572446 XRWJFHICVFCKLO-OAQYLSRUSA-N 435.911 5.164 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cc1nc(-c2ccco2)oc1C 522856895 BSDFPEKQNDJVEL-UHFFFAOYSA-N 429.451 5.338 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCC1(c2cccc(Br)c2)CC1 523784712 DMOQLCKHFKIWNC-OAHLLOKOSA-N 444.398 5.697 30 20 IKED C[C@@H](NC(=O)N(CCCN(C)C)Cc1ccc(Cl)c(Cl)c1)c1ccc(C#N)cc1 524597323 TYOBSOYZFWQNMJ-MRXNPFEDSA-N 433.383 5.090 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F 525001726 VHVBPYLFEHFCLY-PXAZEXFGSA-N 427.879 6.017 30 20 IKED CCN(C(=O)[C@H](CCOC)Cc1cccc(Br)c1)[C@H](C)c1ccc(C#N)cc1 525474842 AESGKYQSXLIKHP-DYESRHJHSA-N 443.385 5.126 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](c3ccc(C(C)C)cc3)c3cccs3)CC2)o1 530468106 BDUQKWKALJRLMF-QHCPKHFHSA-N 448.592 5.162 30 20 IKED CCc1csc(-n2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cn2)n1 534237051 JMUIADGVMIKXKR-FQEVSTJZSA-N 447.951 5.452 30 20 IKED Cc1ccc(OCc2nc(CC(=O)Nc3cc(C(C)(C)C)sc3C#N)cs2)cc1 535254581 LGLCPWIWTLMWIB-UHFFFAOYSA-N 425.579 5.442 30 20 IKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1c(F)cccc1F 548644436 KHBXADLRAIBMEA-UHFFFAOYSA-N 429.263 5.099 30 20 IKED N#Cc1ccc(N2CCC(N[C@@H](Cn3cnc4ccccc43)c3ccc(F)cc3)CC2)cc1 552246288 PEORPOVIAIZTBF-SANMLTNESA-N 439.538 5.047 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC([C@H](F)c3ccccc3F)CC2)o1 552271653 OLILVKAFMVHVGT-DEOSSOPVSA-N 436.458 5.432 30 20 IKED COc1cc2c(cc1F)CN(C(=O)Nc1ccc(Oc3ccccc3C#N)c(F)c1)CC2 554068198 RBGLEEPOTWUSIL-UHFFFAOYSA-N 435.430 5.228 30 20 IKED CN(Cc1nc(-c2cccs2)no1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 554213524 XVKYBAJUJWGYPN-UHFFFAOYSA-N 431.477 5.126 30 20 IKED N#Cc1c(C2CC2)n[nH]c1NC(=O)c1sc2cccc(F)c2c1COc1ccccc1 563761427 GBDWMFDMRWOGRS-UHFFFAOYSA-N 432.480 5.344 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 583173970 RYLMKCODWIOCED-PMACEKPBSA-N 439.441 5.195 30 20 IKED Cc1nn(-c2ccccc2)cc1CCCNC(=O)Nc1ccccc1SC[C@H](C)C#N 584130222 OBXWWJBMOXBVIO-GOSISDBHSA-N 433.581 5.187 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CC[C@H](OCCCc4ccccc4)C3)cc2)ccn1 589365580 CKALADKDXISSRY-VWLOTQADSA-N 442.519 5.001 30 20 IKED CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)cc1 590066695 ZTJALMQASUIWJP-VWLOTQADSA-N 447.560 5.025 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccccc1 590104430 ZGOKMLMQNGTSHQ-LJQANCHMSA-N 444.457 5.611 30 20 IKED C=CCc1cc(C(=O)Nc2c(C)cnn2[C@@H]2CCCc3ccccc32)cc(OC)c1OC 590227819 PGJLPXAKLYFCHK-JOCHJYFZSA-N 431.536 5.115 30 20 IKED COc1ccc(Br)c2[nH]c(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)cc12 592973620 ILILOELXDVVXQZ-LLVKDONJSA-N 444.285 5.178 30 20 IKED N#C[C@@H](C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1nc2cc(F)ccc2s1 592973660 FECFGQFOQLOTAP-HNNXBMFYSA-N 445.504 5.235 30 20 IKED N#Cc1ccc(CNc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)c(Br)c1 600849294 NIBMPRMKXPDWRP-UHFFFAOYSA-N 438.247 5.300 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccccc3COc3ccccc3)s2)cc1 602227465 MIBLIEVBKMLOIT-UHFFFAOYSA-N 425.513 5.437 30 20 IKED Cc1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1NC(=O)c1ccco1 602751930 MKDUJSLFTUDITC-UHFFFAOYSA-N 428.473 5.088 30 20 IKED N#CCCCOc1cccc(NC(=O)C2(c3ccc(Br)cc3)CCCC2)c1 603972092 RECGCLXLDHBUQB-UHFFFAOYSA-N 427.342 5.582 30 20 IKED COc1ccc(-c2nnc(S[C@H](C#N)Cc3ccccc3)n2CCc2ccccc2)cc1 603986389 ZHGNZXYQPXCALA-DEOSSOPVSA-N 440.572 5.423 30 20 IKED Cc1ccn2cc(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)nc2c1 604084966 PIRWEPYSKPKELW-NRFANRHFSA-N 429.911 5.273 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)o1 604244029 ZPKAHLTWDGGPDX-FQEVSTJZSA-N 425.488 5.231 30 20 IKED C=CCN(CC(F)(F)F)C(=O)c1cccc(Sc2cccc(Br)c2)n1 607476730 PRPACYHXZBSUFV-UHFFFAOYSA-N 431.277 5.186 30 20 IKED COc1cccc(N2CC[C@@H](CNC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)C2)c1 608840839 DFVRNRDVZOVAHL-IBGZPJMESA-N 442.519 5.007 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(CNC(=O)C4CCCC4)cc3)cc2)cc1 609031969 QHSFAGYYVQPCBK-UHFFFAOYSA-N 439.515 5.409 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)COc1cccc(F)c1 609079157 NBULGZPAUSUINE-SFHVURJKSA-N 433.483 5.174 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2)cc1 609207774 KCWCKFMJLLQKTL-UHFFFAOYSA-N 438.487 5.298 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NCc1ccc(C#N)cc1F 609229304 DILMLUGZDVNAFO-UHFFFAOYSA-N 445.878 5.042 30 20 IKED N#Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)c(F)c1 609229768 QOIIQRBWIXVLQP-UHFFFAOYSA-N 441.871 5.340 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCCCc1cccc(Br)c1 609424504 VKOUSBODQYAZIT-OAHLLOKOSA-N 432.387 5.455 30 20 IKED Cc1ccccc1CN(Cc1ccccc1)C(=O)Nc1ccccc1S[C@@H](C)CC#N 609435007 KKIGMYNGNQZPAN-NRFANRHFSA-N 429.589 6.624 30 20 IKED COc1cc(CSCC(=O)Nc2ccc(C)cc2C)ccc1OCc1cccc(C#N)c1 609741255 ZQWUWICQRJONAL-UHFFFAOYSA-N 446.572 5.635 30 20 IKED CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 609902494 BODOLISMLMUSJZ-VBKZILBWSA-N 440.956 5.157 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)cc1C 609912606 CSUJJCCLHHWRNA-KNQAVFIVSA-N 430.527 5.238 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(COC(C)(C)C)cc2)cc1C 610626892 HUHZNYXLJKIBGW-UHFFFAOYSA-N 430.552 5.648 30 20 IKED C[C@]1(C#N)CCCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@H](F)C(F)(F)F)(C4)C3)C1 612365877 MIRDUGOZWSWNIJ-PSQJMWQASA-N 436.440 5.261 30 20 IKED C=CCOc1c(Br)cc(CNCc2oc3ccc(F)cc3c2C)cc1OC 620123158 NDXKYBZKWKLXRC-UHFFFAOYSA-N 434.305 5.506 30 20 IKED C=CCN(C(=O)c1cc(OCC)c(OCC)c(OCC)c1)c1nc2c(s1)CCCC2 623331697 HQRQZOADZRSPNO-UHFFFAOYSA-N 430.570 5.051 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC(=O)Nc2cccc3ccccc23)cc1 726075033 ZHXDEEMCXZXVQQ-DEOSSOPVSA-N 434.499 5.255 30 20 IKED Cn1c(C(=O)[C@H](C#N)c2nc3ccccc3s2)ccc1-c1ccc(Br)cc1 726318299 KJGHRDKNRMBQFU-HNNXBMFYSA-N 436.334 5.554 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)nc3c2cnn3[C@H](C)CC)cc1 726319943 QJOBCVYMRXVJDL-UTKZUKDTSA-N 431.540 5.015 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)Nc1ccc(OC(C)C)cc1 726485240 MDYCFLAGSLSJSX-UHFFFAOYSA-N 433.552 6.197 30 20 IKED N#C[C@H](C(=O)[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1)c1nc2ccccc2o1 730399373 YMEJPVWWIVGCFA-QRQCRPRQSA-N 437.282 6.131 30 20 IKED N#C[C@@H](NC(=O)c1ccccc1COc1cccc(C=O)c1)c1cccc(Cl)c1Cl 731638725 KOIHDJYEEXSDAM-OAQYLSRUSA-N 439.298 5.380 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)c1 733770123 DBHOZZIACHEAHR-LJQANCHMSA-N 448.523 5.146 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(N(C)Cc3ccccc3)cc2)c1 733843626 LQQPIXSOWSSWDH-DEOSSOPVSA-N 428.536 5.326 30 20 IKED C=CC[C@H](NC(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1)c1ccncc1 734457869 QNAVILUQXOPNJS-IBGZPJMESA-N 440.341 5.174 30 20 IKED C=CC[C@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccncc1 734508546 ATVDUIHKGCAMJG-DEOSSOPVSA-N 425.492 5.250 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2cccc(CSC3CCOCC3)c2)cc1OC 734803310 YJIWGFZBQLEBMJ-NTMALXAHSA-N 439.577 5.324 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 735208520 YOGXPUDBKBFHGZ-OAQYLSRUSA-N 443.890 5.528 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@]2(Cc3cccc(OC)c3)C[C@H]3CC[C@H]2C3)c1 735444889 YXDWJMDUMKGOPT-XGKIYDHQSA-N 432.564 5.041 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccoc2)n1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 739153954 AFDUKRULFQKTNV-WGERFFLFSA-N 449.601 5.746 30 20 IKED COc1ccc(OCc2nc(/C=C\C(=O)c3ccc(SCC(F)F)cc3)cs2)cc1 741845164 YIDLJYLKWSOTCB-WCIBSUBMSA-N 447.528 5.984 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(Cc2ccoc2)C2CCCCC2)ccc1OC 745819645 OAXZECAEKROJPY-NRFANRHFSA-N 425.529 5.014 30 20 IKED CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 746660444 RTZUYAICRNWHLF-HSZRJFAPSA-N 437.465 6.415 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 750999163 LEQMMLNJOKTLDN-AUSIDOKSSA-N 447.560 5.841 30 20 IKED Cc1sc(NC(=O)c2ccc(C#N)c(Cl)n2)nc1-c1ccc(Br)cc1 753003837 SCKAAUNOFNHRKD-UHFFFAOYSA-N 433.718 5.053 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 754463274 AUZURWGRWXMVGB-HNNXBMFYSA-N 425.510 5.420 30 20 IKED C/C(=C/c1ccccc1Cl)C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 756287243 QEJNOUHXSFHASL-KGAUPUERSA-N 428.941 5.319 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cncc(-c2ccc(Cl)cc2)c1 757876447 VUMOKHAFLJKIGX-JOCHJYFZSA-N 431.923 5.488 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)Nc1ccc(F)cc1OCC#N 761663629 LNYPXDHLSLEPRI-CYBMUJFWSA-N 428.464 5.182 30 20 IKED CCc1ccccc1NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1ccc(C(C)(C)C)cc1 762444659 CCQIJBZXVASKAH-UHFFFAOYSA-O 442.608 6.029 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN(C)Cc2ccc(C(F)(F)F)cc2)c1=S 764858650 ZWZQOXCHDPZTFD-UHFFFAOYSA-N 433.503 5.160 30 20 IKED C=C(Cl)COc1ccc([C@@H](C)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1 766001372 HOURTMRUFDNLLJ-RTBURBONSA-N 435.955 5.877 30 20 IKED Cc1sc2ncn(N=Cc3csc(-c4ccc(F)cc4)n3)c(=O)c2c1-c1ccccc1 767046470 KZEFTVZUKWUHIA-UHFFFAOYSA-N 446.532 5.578 30 20 IKED COc1cccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c1F 770070979 VTYHXLWAUBHTCD-UHFFFAOYSA-N 447.310 5.310 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc2cc(Br)ccc2c1 772970595 DSFOVGIZPGDLAJ-GOSISDBHSA-N 427.685 5.217 30 20 IKED C=CCCC(=O)Nc1ccc(COC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 774579988 ORVMPTMNWLFEKU-UHFFFAOYSA-N 449.576 5.161 30 20 IKED C[C@H](N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccc(OCC#N)cc1 776153913 JGWPMJGOQKCYCB-OALUTQOASA-N 431.511 5.321 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1Br 780610763 ORLOZPLMYDHATD-JTQLQIEISA-N 444.207 5.283 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 780668233 AJROKAXQLYEYOJ-IBGZPJMESA-N 428.536 5.028 30 20 IKED N#C[C@H](C(=O)Cc1cccc(OC(F)(F)F)c1)c1nc2cc(C(F)(F)F)ccc2s1 784492057 KZGURDBFIUFMJP-CYBMUJFWSA-N 444.356 5.633 30 20 IKED CCc1ccc(N(Cc2ccc(C)s2)C(=O)C2CCN(c3oc(C)nc3C#N)CC2)cc1 793478257 OAEFVKMBLYUGOF-UHFFFAOYSA-N 448.592 5.237 30 20 IKED N#C[C@@H](C(=O)Cc1csc2ccc(Br)cc12)C(=O)Nc1ccc(Cl)cc1 796635304 YXQZTKCQZKOOEI-INIZCTEOSA-N 447.741 5.207 30 20 IKED CC(C)(C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1Br 798817279 WXSIWUDDONPLNP-GFCCVEGCSA-N 432.268 5.348 30 20 IKED N#CC1(CCCOC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)CCOCC1 800126012 HYAOTZUXSMMONM-UHFFFAOYSA-N 439.899 5.043 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2ccc(Oc3cccnc3)cc2)c1 806808745 MGJLJNUVBOWECU-RXVVDRJESA-N 430.508 5.115 30 20 IKED C[C@H](NC(=O)c1cc(Cl)ncc1Br)c1ccc(-c2cccc(C#N)c2)cc1 810991343 WWUIGVQNJARUIX-ZDUSSCGKSA-N 440.728 5.527 30 20 IKED CC(C)(C(=O)OCC(=O)c1cccc(C#N)c1)c1csc(-c2c(F)cccc2Cl)n1 811361825 WQYFFQWIDKSUFH-UHFFFAOYSA-N 442.899 5.178 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)s1 813213150 IBZOZYOOKLDWFP-LBPRGKRZSA-N 425.432 5.023 30 20 IKED N#CCCC[C@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1ccccc1 814659846 QFVFEDYWOTXJFK-QHCPKHFHSA-N 444.510 5.041 30 20 IKED COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)[C@H](C#N)c5nc6ccccc6o5)(C4)C2)C3)cc1 915104483 CBUBQIUDNQNCEA-MHCAUCEFSA-N 426.516 5.551 30 20 IKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)cc1 915797501 GWFKKWFMLVHXBK-UHFFFAOYSA-N 428.517 5.237 30 20 IKED CC(C)(C)c1nnc(S)n1N=Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 916308475 JNJIWSVEACBKHR-UHFFFAOYSA-N 431.905 5.100 30 20 IKED Cc1ccc(Nc2nc(Cl)c(C=Nn3c(S)nnc3-c3cccs3)s2)cc1 916314185 ORODQOHBUSLVOD-UHFFFAOYSA-N 432.987 5.339 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCOc2cccc(C(F)(F)F)c2)cc1 916650789 NHCXVKRVXAAMMB-QFIPXVFZSA-N 439.437 5.561 30 20 IKED Cc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cs2)o1 916904954 GMFLUOOYHCDBME-KRWDZBQOSA-N 443.484 5.465 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12 916919303 VSCLPYQISQTMPP-HXUWFJFHSA-N 443.503 5.296 30 20 IKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cccc(OCc2cccs2)c1 916938326 KMUDYWJIOSUTKS-KRWDZBQOSA-N 428.872 5.081 30 20 IKED CC(=O)c1ccc(-c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1 916941848 AJCXJFSYVARUND-GOSISDBHSA-N 441.270 5.417 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3cc(Br)ccc3o2)cc1 916948837 KCCPWIQONCFNNB-ACJLOTCBSA-N 439.309 5.670 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](CC(C)C)NC(=O)c3ccccc3C)n2)cc1 916971908 GACDQTKDRNLGSK-FCHUYYIVSA-N 445.588 5.448 30 20 IKED N#C[C@@H](C(=O)CCCOCCc1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 917044264 QDMALDGRBHHORC-KRWDZBQOSA-N 432.467 5.531 30 20 IKED Cc1nc2ccccc2c(=O)n1N=Cc1c(Cl)cccc1OCc1ccccc1Cl 917533769 BLKVMMJLEDTGNR-UHFFFAOYSA-N 438.314 5.473 30 20 IKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc(C(C)C)c1 917715324 WGCFYKVWIPRCNK-NRFANRHFSA-N 439.581 5.189 30 20 IKED N#Cc1ccccc1N1CCCN(C(=O)/C(=C\c2ccc(F)cc2)c2cccs2)CC1 918575407 JPHMOMDXYZHFTK-XLNRJJMWSA-N 431.536 5.038 30 20 IKED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(C)C)cc2)N([C@@H](C)c2ccc(C)s2)C1=O 920172803 KSGRPBVMHXCGQQ-KXBFYZLASA-N 429.611 5.009 30 20 IKED CCOCCCn1c(NN=C(C)[C@@H]2C[C@@H]2c2ccccc2Cl)nc2ccccc2c1=O 920370280 TVDWIXLEFBJTKR-VQTJNVASSA-N 438.959 5.068 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4c(Cl)cncc4Cl)CCC3)cc2)C1 1785803663 SLYQZGFCJAPVAY-UHFFFAOYSA-N 430.335 5.102 30 20 IKED Cc1ccc(CSCCC(=O)NC2(c3ccc(NC(=O)C4(C#N)CC4)cc3)CCC2)cc1 1787880544 GIEYEHWRORCHCV-UHFFFAOYSA-N 447.604 5.056 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@H](c3ccccc3)N(CC)CC)cc2)CCC1 1791125367 AEMIHSXMAFDUJD-SANMLTNESA-N 445.607 5.007 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)C[C@@H](C)Oc3ccccc3)cc2)CCC1 1791147243 SXTOFRASHRRCSQ-OAQYLSRUSA-N 432.564 5.172 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)CCc3c[nH]c4ccccc34)CCC2)cc1 1791582756 CASBDTDGFSYIOS-UHFFFAOYSA-N 427.548 5.038 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCCn3ccnc3C)cc2)CCC1 1791826274 KVKVZRUUBDOYCT-UHFFFAOYSA-N 436.600 5.098 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c(-c3ccc(F)cc3)c1)C2 1792571534 YCJGJMBPQLZGLV-KOUNCHBCSA-N 437.559 5.065 30 20 IKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H](C)c1ccccc1)c1ccccc1 1801749347 MRHGLTFCXXJQHB-FPHQKMJTSA-N 442.603 5.016 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3ccoc3c2)[C@H]1c1cccnc1 1802500655 NNWNYHDMNWRGTQ-UPVQGACJSA-N 445.563 5.140 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sccc2OCC)[nH]n1 1814439961 GOKWPHRJBMYBEQ-QGZVFWFLSA-N 444.601 5.168 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccoc3s2)n[nH]1 1817826428 SOFBQWSWOOWDAY-KRWDZBQOSA-N 440.569 5.516 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3sccc3[nH]2)CC1 1828712075 RAJXSXYUJPGIMU-OAQYLSRUSA-N 441.641 5.455 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(F)cc2F)CC1 1828827809 VOPLGCYUEHMOIC-JPYJTQIMSA-N 448.529 5.106 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc(C(F)F)c2)CC1 1829066053 MXEHXMFATHVFBX-OAQYLSRUSA-N 447.570 5.245 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3[nH]ccc3s2)CC1 1829066874 YOUTVNQAEQGVLH-FQEVSTJZSA-N 441.641 5.455 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1 1829070399 IDZAWWNHTHCOAJ-URXFXBBRSA-N 440.628 5.066 30 20 IKED CC[C@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)CC1 1829956393 GVYXVPMUYRUDFC-QFZRFWILSA-N 435.612 5.008 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cc3ccccc3o2)CC1 1831370782 PCIBCNNRQTYEKQ-CLKZLRPASA-N 434.580 5.278 30 20 IKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 1831563558 WSUWCVAUCOPTIO-XXTHSBEZSA-N 436.706 5.023 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)CC1 1832800779 YKRMESFNVKJUMD-CWJKEVGVSA-N 442.566 5.187 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)Nc1ccccc1OC 10118313 AOZJPFQAWLXITR-UHFFFAOYSA-O 433.597 5.719 30 20 IKED COc1cccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2cccc(O)c2)c1 11260174 FFNDDCWUKNONDF-UHFFFAOYSA-O 435.569 5.037 30 20 IKED C=CCOc1c(Br)cc(/C=C(\Cl)c2nc(O)c3ccccc3n2)cc1OC 11294386 NYXACTKVJUWYKB-GDNBJRDFSA-N 447.716 5.408 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3cccc(Cl)c3)o2)c1 21547997 GTVBRIOKURTOGV-UHFFFAOYSA-N 426.929 5.046 30 20 IKED C=CCn1c(SCc2cc(=O)oc3cc(C)c(C)cc23)nnc1-c1ccc(OC)cc1 22299447 HLNBQKHXKSJLNV-UHFFFAOYSA-N 433.533 5.155 30 20 IKED CCOc1ccc(-n2c(S[C@H](C#N)Cc3ccc(C)cc3)nnc2-c2ccncc2)cc1 24849908 IIGGUYVLYQVYPF-QHCPKHFHSA-N 441.560 5.263 30 20 IKED N#Cc1nc(NC(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)[nH]c1C#N 26272176 HZSOHOQCUOZIMA-UHFFFAOYSA-N 428.304 5.004 30 20 IKED O=C(Nc1cccc(OCC(F)(F)F)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 27075554 XPYGKUBIPRKYST-UHFFFAOYSA-N 447.310 5.224 30 20 IKED C=CCn1c(SCc2nccn2C(F)F)nc2sc(-c3ccccc3)c(C)c2c1=O 31751277 YEQVOGSGIXDDMU-UHFFFAOYSA-N 444.532 5.503 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@H](C)c1ccc2ccccc2c1 32787173 CVZDNEAUSOMUDB-LJQANCHMSA-N 442.588 5.178 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 64714979 ZAKWXMHKIVQEFG-MRXNPFEDSA-N 434.471 5.381 30 20 IKED C[C@H](Nc1ccc(CC#N)cc1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 98081358 QAOZUXSEDMNWPZ-KSFYIVLOSA-N 432.911 5.177 30 20 IKED N#CCCCOc1cccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c1 108294933 AQCWRFOPIIRSNN-UHFFFAOYSA-N 448.832 5.479 30 20 IKED C=CCOc1ccc(/C=C/C(=O)N2CCC(c3c[nH]c4ccc(OC)cc34)CC2)cc1OC 108918857 GESXYNNBBRSCEX-UXBLZVDNSA-N 446.547 5.169 30 20 IKED CC[C@H](C#N)Oc1cc(CNc2ccnc3cc(Br)ccc23)ccc1OC 301326125 YTZDCLDBMVOLOV-MRXNPFEDSA-N 426.314 5.299 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl 303880299 NWBHCOXWQUVTJR-UHFFFAOYSA-N 445.828 5.101 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)cc1 409814926 IPQPTTXBJBFFJB-QFIPXVFZSA-N 438.886 5.154 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@@H](Oc3ncccc3F)C2)cc1 427448143 FJALXZVYGKVIHO-HXUWFJFHSA-N 447.535 5.068 30 20 IKED Cc1ccc(CN2CCCC2)cc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 427496163 UIKFMZJWGBSYNT-UHFFFAOYSA-N 425.532 5.702 30 20 IKED N#CCCn1ncc(C(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1-c1ccccc1 429073390 JJQMEFBCFXLNKP-LJQANCHMSA-N 438.453 5.112 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)ccc21 430599663 AVAPZWABQXVMDX-ZDUSSCGKSA-N 434.487 5.880 30 20 IKED COC(=O)c1c(CN[C@H](CCCC#N)c2ccccc2)nc2ccccc2c1-c1ccccc1 433017265 XXPWNERNKQNVKT-XMMPIXPASA-N 449.554 6.213 30 20 IKED COc1cc(CCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1Cl 435058600 FQWHPKIDHKQCSO-UHFFFAOYSA-N 434.923 5.565 30 20 IKED Cc1cc(Sc2ncccn2)ccc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 438131592 XSWPEHPFEVJOMN-IFMALSPDSA-N 429.549 5.240 30 20 IKED C[C@H](c1nnc(SCc2ccc(C#N)cc2Cl)n1-c1ccc(Cl)cc1)N(C)C 438817324 FFPMEKCVBLNRGF-CYBMUJFWSA-N 432.380 5.361 30 20 IKED CCCc1c(NC(=O)c2cc(-c3cccc(Cl)c3)no2)cnn1-c1cccc(C#N)c1 440066553 XISCCLNOIWSJRP-UHFFFAOYSA-N 431.883 5.257 30 20 IKED CSc1cccc([C@H](NC(=O)NCC2CCC(C#N)CC2)c2cc(F)ccc2F)c1 441026309 SWKAPHXURVLZAP-LGHDPPOTSA-N 429.536 5.405 30 20 IKED Cc1c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cnn1CCC(C)C 442215848 QFYGEGXTROGEIF-UHFFFAOYSA-N 433.531 5.483 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCc2ccc3[nH]ccc3c2)cc1 442783771 NYLHJCYGXJWVMI-UHFFFAOYSA-N 426.495 5.133 30 20 IKED CC(C)c1oc([C@@H]2CCCN2c2ccc(C(F)(F)F)c(C#N)n2)nc1-c1ccccc1 443518164 KVRFFWPAFCXPEU-SFHVURJKSA-N 426.442 6.092 30 20 IKED CN(C)[C@@H]1CCOc2c(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)cccc21 447726683 HTYCPCOIQFNWPB-XMMPIXPASA-N 427.504 5.182 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c1C 460370873 RZFREVANMHWWLU-VQTJNVASSA-N 425.319 5.410 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@](CO)(c3ccccc3)C2)cc1Cl 463491022 OYDUBHBSHGKTCU-JYFHCDHNSA-N 445.950 5.163 30 20 IKED CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1 463823331 HGMLOHATNPOTRV-KRWDZBQOSA-N 440.927 5.198 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)cc1 464323021 DJBUTNINSGTIIV-HXUWFJFHSA-N 428.557 5.392 30 20 IKED C=CC[C@H](CC)NC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 466530429 QTWMSZJLXNAHPK-JTQLQIEISA-N 440.775 5.043 30 20 IKED N#CCCCOc1cccnc1NC(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 466616586 MRVXBXLIYMDFAE-UHFFFAOYSA-N 431.323 5.392 30 20 IKED COc1cc(F)c(C(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)cc1OC 470169445 FGAWZVZPDWTKDQ-UHFFFAOYSA-N 441.299 5.055 30 20 IKED Cc1ccccc1[C@H](CC(C)C)NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470558561 IAJRZACOAQXHFS-QHCPKHFHSA-N 432.568 5.487 30 20 IKED C=CCN(C(=O)c1ccn(C2CCCCC2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 470735421 FVVIFZZDLCGVLS-UHFFFAOYSA-N 437.525 5.253 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 472330057 TVMLVIIQINJHHG-QFIXIFRTSA-N 428.989 5.159 30 20 IKED C=CCn1c(SCC(=O)N(C)c2ccc3cc[nH]c3c2)nnc1-c1ccc(Cl)cc1 473559662 GREMYVOKSDXWQU-UHFFFAOYSA-N 437.956 5.021 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCc1cc(Br)c(OC)c(OC)c1 475562375 GFFHPBUJONDZME-UHFFFAOYSA-N 447.373 5.640 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 476372081 ZNQCGQJHEBNVMF-LSDHHAIUSA-N 437.487 5.269 30 20 IKED O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccccc1SCc1cscn1 477271410 BOGAVVXQQFRJLG-UHFFFAOYSA-N 432.492 5.236 30 20 IKED Cn1cc(CNc2cccc(C[S@@](=O)Cc3ccccc3)c2)c(-c2ccc(C#N)cc2)n1 478386371 PXTBJWSGLPFVCT-YTTGMZPUSA-N 440.572 5.020 30 20 IKED Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 480013593 GEAUYNNTXNKAJO-UHFFFAOYSA-N 427.504 5.896 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCOCC(F)(F)C(F)(F)F 480092736 KFLCRVZGSCBQQV-UHFFFAOYSA-N 444.375 5.143 30 20 IKED C[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1cccc(OCc2ccccn2)c1 483046901 YCNLSICVJACYAT-FQEVSTJZSA-N 449.510 5.816 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1nccc2ccccc12 483203353 QSQLONJYTMHDHH-OAHLLOKOSA-N 435.270 5.614 30 20 IKED CC(C)c1c(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cnn1-c1ccccc1 483450763 XFPANWXBOCLWJA-UHFFFAOYSA-N 447.514 5.082 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3F)s2)nnc1-c1ccoc1C 484501025 LIRWPCBSVAHNOQ-CYBMUJFWSA-N 427.530 5.543 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2cccc(C(C)=O)c2)C(C)C)nnc1-c1cccs1 489389723 KDEPIFPRNCJDMY-LJQANCHMSA-N 440.594 5.151 30 20 IKED Cc1ccc(-n2c(SCC(=O)Nc3sccc3C#N)nnc2-c2ccc(F)cc2)cc1 489627785 MLGSEPKQFNWGBK-UHFFFAOYSA-N 449.536 5.046 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC2(CC1)OCCc1ccsc12 492183109 YAYNJKKSMXBNRU-MRXNPFEDSA-N 427.595 5.238 30 20 IKED COc1cccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OC)c(OCCCC#N)c2)c1 493902210 BDFMCAQMRMOSRB-RUZDIDTESA-N 443.503 5.157 30 20 IKED Cc1ccc(CO)cc1NC(=O)c1sc(-c2ccc(OCC(C)C)c(C#N)c2)nc1C 494298616 PITORJPRHSPXII-UHFFFAOYSA-N 435.549 5.078 30 20 IKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(Cc3ccco3)c3ccccc3C#N)c12 501019931 KKJNEWLOEFKWAK-UHFFFAOYSA-N 447.498 5.255 30 20 IKED C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 501476173 HGABUOOPDJREKS-IQGLISFBSA-N 439.515 5.178 30 20 IKED N#Cc1cn(Cc2csc(C3CCCCC3)n2)c2ccc(Br)cc2c1=O 502817299 MINZQDMBANUJOK-UHFFFAOYSA-N 428.355 5.188 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3SC[C@H](C)C#N)s2)c(F)c1 503356974 UDFHMDRCVHNVPU-CYBMUJFWSA-N 441.553 5.770 30 20 IKED C[C@H]1CCC[C@H](OCc2cccc(NC(=O)N3CCCN(c4ccccc4C#N)CC3)c2)C1 503366644 XTOFNKJLVNLWQH-OFVILXPXSA-N 446.595 5.398 30 20 IKED CCC(CC)(CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)N[C@H](C)c1ccccc1 503721870 CEABGUNDWDGBLT-OAQYLSRUSA-N 448.611 5.021 30 20 IKED CC[C@@H]1C[C@]1(NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(C)c1 504859219 SNKKBYKOMFFANI-FQRUVTKNSA-N 430.552 5.025 30 20 IKED N#C[C@H](NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1ccc(Cl)cc1 505828763 XNFRXXRSFXLLJV-HNNXBMFYSA-N 433.682 5.224 30 20 IKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1cc(C#N)cn1C(C)(C)C 508041661 CSVRFKJTWQHFPJ-UHFFFAOYSA-N 440.935 5.262 30 20 IKED C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2ccsc2)C1 508934759 KQVQWYZRCVLQLI-SFHVURJKSA-N 433.002 5.049 30 20 IKED CC(C)(C)CN(Cc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 509228180 VTGMLVNXJTWRRH-UHFFFAOYSA-N 441.575 6.412 30 20 IKED Cc1ccc(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c([N+](=O)[O-])c1 509646521 MQYWBHBYBHMVQH-GOSISDBHSA-N 441.896 5.013 30 20 IKED N#CCc1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)cc1 509709685 CDEWQAMITLXWNI-NRFANRHFSA-N 438.300 5.565 30 20 IKED Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C(C)C)cc1 511557685 VGUCDTJTZYQTMM-VWLOTQADSA-N 441.531 5.361 30 20 IKED CCCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1OCC 513191021 BQAVFIBHWCDKSC-HNNXBMFYSA-N 440.849 5.821 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)cc1 514559676 BTZVTBFCADRXFQ-UHFFFAOYSA-N 435.936 5.336 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Sc1ccc(Br)cc1 517517999 NYCLHVKAQISGFD-UONOGXRCSA-N 435.412 5.963 30 20 IKED CCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1OC 518516619 OWDGKNQBUPHETJ-MRXNPFEDSA-N 437.908 5.233 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 521259454 NJBORYRGLBZXJN-KUHUBIRLSA-N 434.392 6.614 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)c2)cc1 522389881 MQRILYCHXZYATA-NRFANRHFSA-N 436.298 5.439 30 20 IKED C=CCOc1ccccc1CNC(=O)Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1 522600499 NTMVWFCZLADWCZ-UHFFFAOYSA-N 437.540 5.101 30 20 IKED COc1cc(C[S@@](=O)Cc2ccc(F)cc2Cl)ccc1OCc1cccc(C#N)c1 522662554 YTBKOZKCICKQTE-SSEXGKCCSA-N 443.927 5.387 30 20 IKED Cc1cnn(-c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2F)c1 522904640 FBRAKSPAZREVOL-UHFFFAOYSA-N 442.519 5.736 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C 524187406 XUGPQOUPWDKLQS-UHFFFAOYSA-N 446.429 5.373 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(OCC(F)(F)F)cc1 524388064 HOHLTVVVXRLXCW-UHFFFAOYSA-N 440.421 5.639 30 20 IKED COc1ccccc1-c1nn(C)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 524627834 IITFFDAYKUWXRQ-GOSISDBHSA-N 428.517 5.018 30 20 IKED N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1ccc(Cl)c(Cl)c1 525458546 LFJAZXRRMNJOHX-WWGRRREGSA-N 429.225 5.377 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(F)cc2OCC(F)F)c1 539098168 IZTKNGPECSCNRX-UHFFFAOYSA-N 426.394 5.173 30 20 IKED CC(C)c1c(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cnn1-c1ccccn1 542003395 OWKHKVFDQHODTP-LJQANCHMSA-N 435.531 5.420 30 20 IKED C[C@H](NC(=O)NCc1nccn1CCc1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 542979133 MWZHFXBXTRQDEW-NRFANRHFSA-N 449.558 5.225 30 20 IKED O=C(CC1CCOCC1)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 544016571 HVJBECFXHWFZHB-CQSZACIVSA-N 437.302 5.261 30 20 IKED C[C@@](C#N)(NC(=O)Cc1csc(-c2cccc(Br)c2)n1)C1CCCCC1 550747683 IWMNYHLGYRKQOB-FQEVSTJZSA-N 432.387 5.094 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 554204626 GDUHYJIXFKCZQC-UHFFFAOYSA-N 446.477 5.279 30 20 IKED C=CC1CCN(c2nnc([C@H](C)Oc3ccc4ccccc4c3)n2C[C@@H]2CCCO2)CC1 555393418 ACRPGQMLAQREDW-CYFREDJKSA-N 432.568 5.153 30 20 IKED N#CCCN(C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccc(F)cc1 558049228 DMMUQQVAFSPEIN-UHFFFAOYSA-N 427.888 5.353 30 20 IKED CCc1[nH]c(-c2ccc(Cl)cc2)nc1C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 559990502 FXZSACUFQIOXAD-MRXNPFEDSA-N 433.924 5.301 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccc(Oc3cccnc3)cc2)nnc1-c1ccco1 564134784 IXPPFFLYEDYYQR-UHFFFAOYSA-N 447.520 5.032 30 20 IKED N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1c(Cl)cccc1Cl 580636097 QDZRKUYYOHWFEW-JMSVASOKSA-N 429.225 5.377 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1csc(-c2cccs2)n1 603601127 QUNDQNRQLWYXJU-UHFFFAOYSA-N 432.530 5.420 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N(Cc3ccco3)Cc3cccs3)s2)cc1 603649676 DYPXXIKPGJCRET-UHFFFAOYSA-N 434.546 5.494 30 20 IKED CC(C)c1cccc(O[C@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 604003702 UECJLVPQIMMLCL-HXUWFJFHSA-N 428.532 5.861 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1ccc(C(F)(F)F)cn1 605479102 INNUDIAKRHNEFA-UHFFFAOYSA-N 432.242 5.313 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2cc(-c3cccc(C(F)(F)F)c3)nc3onc(C)c23)n1 606753752 MSZOAWRGJZVITB-OAHLLOKOSA-N 442.422 5.472 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 609061624 FXMRIVXVJJITKQ-UHFFFAOYSA-N 443.484 5.821 30 20 IKED COc1cccc(-c2c[nH]cc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 609072239 HECZFKCSWLANMC-UHFFFAOYSA-N 437.499 5.702 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCO[C@@H](c2ccccc2)C1 609252239 HQNFFZISKQGSGI-RUZDIDTESA-N 427.504 5.655 30 20 IKED N#Cc1ccccc1COc1cccc(CN[C@H]2CCc3nc(-c4ccccc4)ncc3C2)c1 609433353 VLEOBKIGQOTCSN-SANMLTNESA-N 446.554 5.241 30 20 IKED N#Cc1nc(N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)ccc1Cl 609511684 JPAFGQPBRVIQJK-QFIPXVFZSA-N 437.975 5.300 30 20 IKED CCN(C(=O)c1cc2ccccc2n1CC#N)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 609580158 VTBUWYFGGJRBSQ-RUZDIDTESA-N 426.495 5.259 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3cccc(OCc4cscn4)c3)c2)c1 609647821 PSVDGOPDEBIJSV-UHFFFAOYSA-N 441.512 5.425 30 20 IKED C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 609681996 DTVUZNROWNZTOB-YKSBVNFPSA-N 425.532 5.742 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCO[C@H](c3ccccc3F)C2)c1 609731414 NWVDAOLCAUCYJX-QHCPKHFHSA-N 436.870 5.357 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(CCc1ccc(F)cc1)C1CC1 609744766 ZWCXQAACDPHRRC-UHFFFAOYSA-N 443.522 5.824 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)c1C 610053682 QUJSPMCVKNDSSB-AWEZNQCLSA-N 426.442 5.512 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2csc(-c3ccccc3Cl)n2)c1C 610054185 ZMFQZFPUFKEECA-UHFFFAOYSA-N 433.924 5.390 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2coc(-c3ccccc3)n2)cc1 610200631 PWCPECSANIMYQJ-UHFFFAOYSA-N 425.513 5.436 30 20 IKED COc1cc(CN[C@@H](C)c2cccc(C#N)c2)ccc1OCC(=O)Nc1ccccc1Cl 610344605 AGUDMYAYSFZXJG-KRWDZBQOSA-N 449.938 5.089 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3sc(-c4ccccc4)nc3C(F)F)CC2)c1 611185358 HKMSXQYFSGSZIT-UHFFFAOYSA-N 439.487 5.303 30 20 IKED CC(=O)c1ccc(OCCCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 611872162 VANRXJGLBUPWDB-DEOSSOPVSA-N 446.934 5.996 30 20 IKED COc1ccc(F)cc1[C@@H](C)NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612806453 ZBLQBIVCNWPVAC-DCQANWLSSA-N 430.364 5.104 30 20 IKED N#CCn1c(C(=O)Nc2ccc(Br)cc2OC(F)(F)F)cc2ccccc21 616168702 LVOSNFNUSXTDNJ-UHFFFAOYSA-N 438.203 5.078 30 20 IKED N#Cc1cc(N2C(=O)[C@@H]3CCCCCN3C2=O)ccc1Oc1ccc(C(F)(F)F)cc1 618444437 ZIWZOXAGICVNHL-SFHVURJKSA-N 429.398 5.081 30 20 IKED C=CCN(C(=O)c1ccnc(N(C)C)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 643127457 YNIBFUBHRQTKMM-UHFFFAOYSA-N 433.364 5.411 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 669809537 ZHSXFEOKGGVCIC-MSOLQXFVSA-N 447.514 5.268 30 20 IKED CN(C)[C@H](C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1c(F)cccc1Cl 673637145 AJOXKDIWSRWRLE-FCHSOHFDSA-N 448.810 5.108 30 20 IKED C[C@@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(F)cc1Cl 729908162 CSCNVMFDPXNIGG-CYBMUJFWSA-N 443.862 5.120 30 20 IKED COC(=O)c1ccc(/C=C/C(=O)c2sc(-c3ccccc3Br)nc2C)o1 730148830 MUDHYRYGDNLERP-VQHVLOKHSA-N 432.295 5.157 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 731061460 BBLQACLUEHPVEV-MRXNPFEDSA-N 447.560 5.236 30 20 IKED CC1CCC(OC2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)CC1 731109865 SQVDIMDUZVZAFO-IREOKEETSA-N 431.580 5.934 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)c2ccccc2-c2ccccc2C#N)c1 733146558 OQGNDPCXEFYELK-UHFFFAOYSA-N 431.467 5.964 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)ccc1OC 733231892 KJDLYFCZQUXNSI-OAQYLSRUSA-N 440.971 5.548 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2Cc2ccccc2)ccc1OC 733614404 CBCHPFBGTPNYNL-JOCHJYFZSA-N 429.520 5.289 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2Cc3ccccc3-c3ccccc3C2)ccc1OC 733657077 SGACCMYCYCLNSW-JOCHJYFZSA-N 441.531 5.269 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)c1 733843551 KLCXOHZJTYACJE-OAQYLSRUSA-N 448.567 5.094 30 20 IKED Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3cccc(COc4ccccc4C#N)c3)o2)cc1 734200400 YAMAAHYBQKDBBR-GOSISDBHSA-N 439.471 5.414 30 20 IKED COc1ccccc1-c1ccc(C(C)=NNc2ccc(S(=O)(=O)C(F)F)cc2)cc1 741463168 BKFSXVORJASJLI-UHFFFAOYSA-N 430.476 5.195 30 20 IKED N#Cc1ccc(F)c(CNCc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)c1 742382048 ZEUMHAIKBLWEFX-UHFFFAOYSA-N 430.914 5.552 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1C(F)(F)F 744030191 AGHLDHOGJFDOGO-BXUZGUMPSA-N 443.252 5.853 30 20 IKED CCC(CC)(Cc1nc2ccccc2s1)C(=O)O[C@H](C)C(=O)Nc1ccccc1C#N 744723426 HTCWXIXJPMPLOL-MRXNPFEDSA-N 435.549 5.087 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cccc(N2CCOC2=O)c1C)c1ccc(C(F)(F)F)cc1 750329785 CKQSPXSUQOLMEZ-LJQANCHMSA-N 447.457 5.799 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 752660540 GKSOUNFIRCLBBO-ZEQRLZLVSA-N 442.588 5.614 30 20 IKED Cc1cccc(COc2cccc(NC(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)c2)c1 761856158 IFBFYSAMLJCRLH-RUZDIDTESA-N 427.504 5.051 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCc1nnc(-c2ccc(Br)s2)o1 768499032 NBBYACDXIABGPV-NSHDSACASA-N 435.372 5.567 30 20 IKED CC[C@H]1Cc2c(Br)cccc2CN1C(=O)Nc1ccccc1O[C@H](C)C#N 770653345 NGGIBAYHYFGUSB-ZBFHGGJFSA-N 428.330 5.109 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(CC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1 772404290 PPAGXEOQDLIAFQ-KRWDZBQOSA-N 434.323 5.264 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2sc(-c3ccc(F)cc3)nc2C)ccc1OC 772980548 SNOHUABWUXSBOQ-QRWLVFNGSA-N 439.556 5.798 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCSc3ccc(Br)cc32)ccc1OC 772985968 MGRDXYXURZFJNW-FUHWJXTLSA-N 447.398 5.465 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(Oc3ccccc3)c(F)c2)ccc1OC 772987836 YJQBFRXRRWFITP-GHTZIAJQSA-N 434.511 6.158 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)O[C@@H](C#N)Cc4ccc(F)cc4F)cc3)o2)c1 774335669 MFHMHYQVINXIFM-OAQYLSRUSA-N 445.425 5.282 30 20 IKED N#C[C@@H](C(=O)C1(c2ccccc2Cl)CCOCC1)c1nc2ccccc2n1C(F)F 779194272 KQOQEBKXPDYPSF-AWEZNQCLSA-N 429.854 5.009 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccco1 787108383 XROKSVHOZSHWSH-UHFFFAOYSA-N 444.143 5.175 30 20 IKED N#C[C@@H](C(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1nccc2ccccc12 792095244 VMCLEIZXJDCTQD-NLFFAJNJSA-N 430.866 6.024 30 20 IKED CC(=NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1c(Cl)nc2sccn12 794979746 RMBNDDSPNXRXCV-UHFFFAOYSA-N 436.850 5.361 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc2c(c1)OCO2 796760591 CEFDZIMTVKBYKO-XHDPSFHLSA-N 445.327 5.826 30 20 IKED Cc1nc(-c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc2)cs1 799601919 AQOQJLHTMFQHPK-QGZVFWFLSA-N 443.500 5.394 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)[C@H](C)Cc1cncc2ccccc12 807990232 YNZMCOBKQYYQRK-CQSZACIVSA-N 439.309 5.052 30 20 IKED Cc1cc(C)n(-c2ccc(-c3noc(-c4ccccc4OCC#N)n3)c(C(F)(F)F)c2)n1 809362435 CSCKWANEZXUMKX-UHFFFAOYSA-N 439.397 5.127 30 20 IKED C[C@H](Cc1ccc(F)c(Br)c1)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813219067 WHFDJUCNOASWQX-MFKMUULPSA-N 429.211 5.057 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H](Cc2ccccc2Cl)c2cccs2)ccc1OC 813860561 RCLPITFICHDSTR-CTNGQTDRSA-N 440.996 6.165 30 20 IKED CC(C)(C#N)c1ccccc1COC(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1 815372131 YPWSOSYXLLQPSU-UHFFFAOYSA-N 437.927 5.242 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)CCc1cc(C(F)(F)F)ccc1Br 815799486 VDRWGDCLKQKWMJ-UHFFFAOYSA-N 445.210 5.081 30 20 IKED Cc1cc(CSc2ccccc2C(=O)Nc2cccc(C#Cc3ccccn3)c2)on1 861214326 XLXOYYFJSOTVTJ-UHFFFAOYSA-N 425.513 5.322 30 20 IKED C[C@H](Cc1noc(-c2cccc(Oc3ccc(C#N)cc3)c2)n1)N(C)C(=O)OC(C)(C)C 904653846 DMGGPMLNUWHHHY-MRXNPFEDSA-N 434.496 5.198 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2cc(C)c(OCc3ccccn3)c(C)c2)S1 915114775 QZMBILYGJGWWGX-HYARGMPZSA-N 443.572 5.786 30 20 IKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccco2)c1C 916207976 QJLIHWPVIPNTQS-NRFANRHFSA-N 433.533 5.057 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)cc1 916213147 ZXGARLVWKQJLMW-GOSISDBHSA-N 447.482 5.137 30 20 IKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCCC(C)C 916928167 VKFQJLKXBKIKIA-INIZCTEOSA-N 449.334 5.388 30 20 IKED COc1ccc(C(=O)CCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916975176 AUVBUPWLNVLVSL-LJQANCHMSA-N 438.936 5.702 30 20 IKED N#Cc1c(NC(=O)c2nc(NCc3ccco3)ncc2Cl)sc2c1CCCCCC2 917782835 DMLKIEMDRARZAT-UHFFFAOYSA-N 441.944 5.180 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN(C2CC2)[C@H](C)c2ccc(Cl)cc2)c1=S 920306091 SMHWHOJVVBJXJN-MRXNPFEDSA-N 425.989 5.499 30 20 IKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)c(Cl)cc3F)CCC2)cc1 1787890495 PZATVOTVVSCQGA-UHFFFAOYSA-N 434.298 5.184 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)COCc3ccccc3)cc2)CCC1 1787892990 GLJVNFABIFFKLT-DEOSSOPVSA-N 432.564 5.106 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)cc2)CCC1 1789150534 AGGMLVVQIRCRAA-NHCUHLMSSA-N 435.955 5.127 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3csc(-c4cccnc4)n3)CCC2)cc1 1791247720 GZRWTWHIHHWMND-QGZVFWFLSA-N 446.576 5.165 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cn(C(C)C)cc3C(F)(F)F)CCC2)cc1 1791587203 AHKNSCDDADXZQQ-UHFFFAOYSA-N 433.474 5.412 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@@H](CC)c2ccccc2)[C@@H]1c1cccnc1 1806268338 FNOUUEXDCUBSCZ-ZNZIZOMTSA-N 445.607 5.050 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](F)c2ccccc2)[nH]n1 1814440074 ITSAUHJOIOUWMF-PZJWPPBQSA-N 426.536 5.105 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C3CC3)cc2)[nH]n1 1819308800 CLHUKOGPHGKAHO-JTHBVZDNSA-N 432.568 5.361 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2sccc2Cl)n[nH]1 1819957045 GVBGLDUMQUXSCK-WMLDXEAASA-N 432.977 5.199 30 20 IKED CC(C)C1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)CCC1 1823216159 PJEJJQMXDRYQEP-GCJKJVERSA-N 447.583 5.169 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)CC1 1829904361 USFUPVGXRXOTHU-UZLBHIALSA-N 437.411 5.439 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cccc(Cl)c1)=C(/S)Nc1cccc(Cl)c1C 11257021 KMNSGEVCTLOMMD-UHFFFAOYSA-O 444.407 6.203 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCSCc2ccccc2C#N)cc1 18107072 MNSQWPGGBXYAEC-UHFFFAOYSA-N 443.597 5.385 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)Nc1ccc(OC)cc1 22731263 LWHHQIHYZXQUGV-UHFFFAOYSA-O 433.597 5.719 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3c[nH]c4ccccc34)o2)c1 23287576 ZBEOGSWLAOJGKH-QGZVFWFLSA-N 445.548 5.262 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1csc(-c2ccc(C(F)(F)F)cc2)n1 25453408 RUAQICNALGJKTN-ZDUSSCGKSA-N 432.423 5.211 30 20 IKED Cc1ccc(-c2csc3ncnc(S[C@@H](C)C(=O)NC4(C#N)CCCCC4)c23)cc1 25785899 DYZSVULAYCQGGE-INIZCTEOSA-N 436.606 5.490 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(C)o2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 59360108 BVFGNTZGYBSZSE-CZUORRHYSA-N 443.642 5.888 30 20 IKED C=CCN(C(=O)c1ccc([N+](=O)[O-])s1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 61204820 BJHFEBCJCHSERV-UHFFFAOYSA-N 440.333 5.919 30 20 IKED Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 72108409 AYBMVWLVHCOLOR-ZDUSSCGKSA-N 444.969 5.070 30 20 IKED N#CCCCOc1cccc(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)c1 108295744 DKFKOBWEIANBSA-UHFFFAOYSA-N 442.544 5.561 30 20 IKED C=CCN(C(=O)[C@H](C)OC[C@@H]1CCCO1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 109195812 KHUDRYUCBPQNLH-ZFWWWQNUSA-N 441.380 5.220 30 20 IKED C=CCN(C(=O)CCc1nc(C)c(-c2ccccc2)o1)c1nc(-c2ccccc2)cs1 303283102 JEFNDVPJOPAWNQ-UHFFFAOYSA-N 429.545 5.925 30 20 IKED Cc1nc2cc(C(=O)N[C@](C)(C#N)CCc3ccccc3)ccc2n1Cc1ccsc1 409540312 ANLIICDOPDZCBS-VWLOTQADSA-N 428.561 5.099 30 20 IKED C=CCN(C(=O)CC1CCCCCC1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 427489770 DJIPLPIPKSTXBO-UHFFFAOYSA-N 432.611 5.093 30 20 IKED C[C@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1noc(-c2ccc(Cl)cc2)n1 431195301 XKMUWFFTXNDVQJ-INIZCTEOSA-N 443.894 5.068 30 20 IKED Cc1nc2ccccc2n1C1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 432209863 GYMKAOXQQOCKHU-UHFFFAOYSA-N 427.430 5.104 30 20 IKED CCCc1c(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cnn1-c1ccc(C)cc1 432548664 FACFJTLZAWZVQL-UHFFFAOYSA-N 438.535 5.163 30 20 IKED CC(=O)N(c1nc(CN[C@H](CCCC#N)c2ccccc2)cs1)c1ccc(C)cc1C 433011000 MBTUMXCCDFWLSN-HSZRJFAPSA-N 432.593 5.969 30 20 IKED CC(C)(c1ccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc1)C(F)(F)F 434067660 JXVBLVTYSGHDEI-INIZCTEOSA-N 425.248 5.284 30 20 IKED C[C@@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)[C@H]1c1ccc(C(F)(F)F)cc1 435135792 UWEQGFJPZWCQAG-UZUQRXQVSA-N 439.485 5.461 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc(Cl)cc(Br)c2F)c1C 435861901 LHLUSWXDQRYRRY-UHFFFAOYSA-N 447.695 5.168 30 20 IKED Cc1ccccc1CN(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1SCCC#N 437469361 QUWCIEZVYKPJAZ-UHFFFAOYSA-N 443.572 5.168 30 20 IKED N#Cc1cc(NC(=O)N2CCC3(CCOCC3)C2)ccc1Oc1ccc(C(F)(F)F)cc1 438516026 IVAHHIIKAKZAMI-UHFFFAOYSA-N 445.441 5.404 30 20 IKED C[C@@H](Sc1ccccc1)c1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 438859434 CIBDWBBDBBBYNQ-LJQANCHMSA-N 443.576 5.161 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 438920882 UYYSTUGKZJIZOV-OALUTQOASA-N 432.511 5.949 30 20 IKED Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)Nc1ccccc1SC[C@@H](C)C#N 439089610 SHDXAWJVAYNHAQ-LBPRGKRZSA-N 446.359 6.461 30 20 IKED N#Cc1ccc(SCC(=O)Nc2ccc(Cl)cc2-c2nc(C3CCCC3)no2)cc1 439663945 HCKCAQYVYFUTFW-UHFFFAOYSA-N 438.940 5.650 30 20 IKED N#CCC[C@@H](NC(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1)c1ccccc1 440251760 SLOLTORAZHASRW-HSZRJFAPSA-N 427.508 5.175 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1cccc(OC(F)(F)F)c1 440796966 LZLHQMAAIZRWEQ-AWEZNQCLSA-N 427.382 5.135 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1C[C@H](n2cccn2)Cc2ccccc21 443932585 ZLBFHRHVVCCCHG-OAQYLSRUSA-N 436.540 5.350 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 446267434 RRCCYPZCLHEQRX-UNMCSNQZSA-N 433.379 5.967 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)cc1 460261869 FCCYDUAOLVXPOJ-UHFFFAOYSA-N 448.482 5.037 30 20 IKED C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H]1c1ccc(Cl)cc1 460939506 NAKQWJIJJAPMKP-FQEVSTJZSA-N 446.942 5.165 30 20 IKED Cc1c(Br)cccc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 463166473 QHPQTVFOEVKQGI-UHFFFAOYSA-N 445.367 5.025 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)cc1 463578273 ODAXBLKFDMMEAT-VQTJNVASSA-N 436.433 5.491 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2[C@@H](C)CCC[C@H]2C)c1 465292012 RCRWOSHNZUGKEM-HDICACEKSA-N 447.000 5.124 30 20 IKED N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC(Cc3cc(Cl)ccc3Cl)CC2)cc1 472269786 YBNXAPMIPCNHAB-HXUWFJFHSA-N 426.347 5.029 30 20 IKED C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CCC(Oc2cccc(C#N)c2)CC1 472651459 PQEMNBKPUZPPQR-AWEZNQCLSA-N 443.334 5.519 30 20 IKED Cc1csc(NC2CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)n1 473667421 NORRRRGMMUPVCV-UHFFFAOYSA-N 433.537 5.224 30 20 IKED COc1cccc([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 481573714 MZSYVEDEYIQVBL-XMMPIXPASA-N 445.494 5.654 30 20 IKED C=C(C)[C@@H](NCc1noc(Cc2ccc(Br)cc2)n1)c1ccc(F)c(F)c1 481601547 UAYVXCLCTBMADW-HXUWFJFHSA-N 434.284 5.108 30 20 IKED CCOC(=O)c1csc([C@H]2CCCN2Cc2cccc(OCc3cccc(C#N)c3)c2)n1 483432743 QHAKEIRUNMUCLY-HSZRJFAPSA-N 447.560 5.108 30 20 IKED N#CCCN(C(=O)Cc1csc(Cc2ccc(F)cc2)n1)C12CC3CC(CC(C3)C1)C2 486562901 RFJVDSAPJXOTRE-UHFFFAOYSA-N 437.584 5.127 30 20 IKED C=C(C)Cn1c(S[C@@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1ccncc1 489383170 FKCCZSRFZRKXME-HSZRJFAPSA-N 426.545 5.633 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1 491311923 LOGJPFGGZIZHOK-UHFFFAOYSA-N 433.458 5.636 30 20 IKED N#Cc1cccc(C2(NC(=O)N[C@H]3CCCc4nc(-c5ccc(F)cc5)sc43)CC2)c1 494697642 QVQAMCHFTGWGAB-FQEVSTJZSA-N 432.524 5.187 30 20 IKED C=CCn1c(SCc2ccc(Oc3ccccc3)nn2)nc2sc3c(c2c1=O)CCC3 498019510 QWTDKAJMCLKGDA-UHFFFAOYSA-N 448.573 5.007 30 20 IKED N#Cc1ccc(SCC(=O)N[C@H](c2ccccc2)c2nccs2)cc1C(F)(F)F 499475760 RKTXCCAZEZEXLG-GOSISDBHSA-N 433.480 5.031 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H](CO)c1cccc(Br)c1 499894124 KRZGLKVUUNTUQK-RDTXWAMCSA-N 448.386 5.041 30 20 IKED C=CCC[C@@H](NC(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1)c1ccc(C(F)(F)F)cc1 500108782 VSCHIUDHJDKPPH-SJLPKXTDSA-N 434.462 5.172 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)CCc3nc(-c4cccs4)no3)c2)cc1 501431598 BQIJOPCKXDWTSG-UHFFFAOYSA-N 444.516 5.014 30 20 IKED Cc1noc(C)c1COc1cccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1 505922361 GOANARQXLRZBLH-HXUWFJFHSA-N 430.291 5.172 30 20 IKED Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1NC(=O)c1ccco1 505922736 LAQCOHXXOKHABY-SFHVURJKSA-N 428.275 5.142 30 20 IKED CC(C)(CCC#N)CNC(=O)C(=O)Nc1ccc(-c2nc3cccc(Cl)c3s2)cc1 510976481 JTKBZKDBIIGMHC-UHFFFAOYSA-N 440.956 5.001 30 20 IKED C=CCn1c(S[C@H](C(C)=O)c2ccccc2)nc2scc(-c3cccs3)c2c1=O 511677344 KFTIKDBHOVENBA-LJQANCHMSA-N 438.599 5.795 30 20 IKED C[C@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)NC(=O)c1ccccc1 517097974 HRNKXVCBUNCGRC-MRXNPFEDSA-N 433.895 5.151 30 20 IKED Cc1ccc(-c2cc(CSCC(=O)Nc3ccccc3S[C@H](C)CC#N)on2)cc1 517461576 XFUVNQCNIUKAPL-QGZVFWFLSA-N 437.590 5.916 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)cc1 517470258 DYCDDDRFWRONCH-VWLOTQADSA-N 442.563 5.741 30 20 IKED CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 518375414 IOQZPCFORVWTOC-UHFFFAOYSA-N 439.437 5.815 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)cc1 518587158 ZCRIKXVQEYRQOU-FQEVSTJZSA-N 437.952 5.047 30 20 IKED Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)N(C)c3cccc(C#N)c3)c12 518705624 WCWDSNFAZDEAEM-UHFFFAOYSA-N 449.539 5.606 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)Cc3csc(Cc4ccccc4)n3)cc2)c1 519504405 NQNPAXDPUQAESK-UHFFFAOYSA-N 425.513 5.579 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(-n3ccnc3)c2)cc1Cl 522431804 PHGMUVQYBOSECK-QHCPKHFHSA-N 441.922 5.503 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccccc3NC(=O)C[C@@H]3C=CCC3)c2)cc1 523154018 ONLVNDYZXCJUJC-LJQANCHMSA-N 436.515 5.849 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 524487639 XHGGMFXBOOFVQD-GOSISDBHSA-N 427.529 5.641 30 20 IKED C[C@]1(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCCN(C(=O)c2ccccc2)C1 525650942 HEOGRNQSJFGLBF-MHZLTWQESA-N 439.515 5.232 30 20 IKED COc1cccc(/C=C(/CC(=O)N[C@@](C)(C#N)CC(C)C)c2nc3ccccc3s2)c1 535326781 SMSPLOIHYUYQSX-ZKZXOALPSA-N 433.577 5.680 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1coc(-c2ccccc2Cl)n1 537346331 HWIXUCCLZTYFMD-UHFFFAOYSA-N 430.851 5.615 30 20 IKED Cn1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(-c2ccccc2)n1 537861193 DXNHONVNEZXUET-NRFANRHFSA-N 426.907 5.648 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1ccc(Cl)cc1)C1CCC1 538208400 RNBFVCFRZHTFAK-WAIKUNEKSA-N 428.001 5.804 30 20 IKED N#Cc1ccc(NC(=O)[C@H]2CC[C@H](C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc1Cl 538690472 WQXMOTXPNZWDBV-HDJSIYSDSA-N 441.318 5.120 30 20 IKED COc1cc([C@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1S(C)(=O)=O 543962832 KXBXNYKSJPISTK-ROUUACIJSA-N 434.561 5.049 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@@H]2c2ccc(Br)s2)c1 544248940 FKJLMPXSNFTBHD-GFCCVEGCSA-N 442.285 5.353 30 20 IKED Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)c1sc2ccc(C#N)cc2c1C 550946742 YWSCRXNJZLOIAT-UHFFFAOYSA-N 434.521 5.134 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(OCC2CC2)c(Cl)c1 555045151 BIVNODKGLPMINE-OAHLLOKOSA-N 430.957 5.541 30 20 IKED COc1ccc(N(C)C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1Cl 561195656 CWYJPQURFZNHEY-UHFFFAOYSA-N 432.351 5.143 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1)[C@H]1C[C@H]1C 563742922 IPZIBCJLMMAHRZ-GYCJOSAFSA-N 443.478 5.503 30 20 IKED N#Cc1ccc(CN2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c(C(F)(F)F)c1 580984239 JLUVOFVHERIWCK-UHFFFAOYSA-N 426.360 5.089 30 20 IKED C[C@@H](C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccccc1F 595909423 ZOXZAJLETKREMM-LLVKDONJSA-N 439.327 5.450 30 20 IKED C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 604003798 WVJHKAJRUNGAMD-UUOWRZLLSA-N 439.515 5.178 30 20 IKED N#CCCN(C(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1ccc2c(c1)OCCO2 604456534 KTQCMBSMVMTLJQ-UHFFFAOYSA-N 448.906 5.251 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(OC)c1 604461877 NPXNEDKNDGJBGJ-DEOSSOPVSA-N 443.503 5.737 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1 608953094 WTSIOHZIQCGZNR-DEOSSOPVSA-N 441.019 5.307 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(NC(=O)c2ccncc2)cc1 609436887 IWFYOZWKJZXTBZ-KRWDZBQOSA-N 445.548 5.050 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)cc2)nc1 609498568 NJAOEKVNYCOOQM-AREMUKBSSA-N 431.495 5.533 30 20 IKED Cc1ccc([C@H](C)CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 609996054 LKDOYOVXMIOTMT-LJQANCHMSA-N 443.572 5.131 30 20 IKED CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 611538185 XRVXDGPXKHJGQZ-UHFFFAOYSA-N 434.477 5.408 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C(C)C)nc4c3cnn4C(C)C)n2)cc1 613315646 WMCFEFMEDZELIA-IBGZPJMESA-N 443.576 6.058 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(SC)c2)nnc1-c1ccccc1F 613385731 ZMGMILDRJFTXTO-CQSZACIVSA-N 428.558 5.111 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cnc2ncc(Br)cc2c1 614971861 QQVVMCLXXOGVMP-UHFFFAOYSA-N 435.306 5.245 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2cccc(C#Cc3cccs3)c2)cc1OC 642480545 ZOSBAXKBBKNVEI-JOCHJYFZSA-N 432.545 5.534 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(Cl)nc3)cc2Cl)c1 728121289 DAFOGXVCMAPWAJ-UHFFFAOYSA-N 427.291 5.161 30 20 IKED COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 730061116 PDCWLNHBBQKEIO-RPBOFIJWSA-N 425.532 6.110 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(F)c(Cl)nc1Cl 730996746 ZDXUWJRBKIGXES-UHFFFAOYSA-N 438.233 5.804 30 20 IKED CCN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)Cc1ccc(C(F)(F)F)cc1 731030749 JYHUMVRCNYTGPF-MRXNPFEDSA-N 435.515 5.560 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(-n4cncn4)c(Cl)c3)cc2)cc1 731983431 JUKSAUONBKWRIT-UHFFFAOYSA-N 429.867 5.031 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2ccccc2SCc2ccco2)ccc1OC 733230521 QRABAIJKSCKIHW-GOSISDBHSA-N 436.533 5.191 30 20 IKED CC(=O)Nc1cc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c(F)cc1F 735005189 OWGGYAQCQJKJRK-UHFFFAOYSA-N 441.821 5.493 30 20 IKED CC(=NN=c1cc(C(F)(F)F)[nH]c(-c2ccncc2)n1)c1cc(F)c(Cl)cc1Cl 735976579 OWWYXIJHTHQJRB-UHFFFAOYSA-N 444.219 5.261 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(Cc3cc4oc5ccccc5c4cc3O)CC2)c1 738120339 KUNBBHHXHODTFP-UHFFFAOYSA-N 425.488 5.014 30 20 IKED N#Cc1ccc(-c2cccc(CNCc3ncc(-c4ccc(Br)cc4)[nH]3)c2)s1 740014627 SYPZKGQQPSCHOJ-UHFFFAOYSA-N 449.377 5.729 30 20 IKED COc1ccc(/C=C2/N=C(SCCC(C)(C)C#N)N(c3cc(C)cc(C)c3)C2=O)cc1 741447557 QKWLGHYSNSUFQC-PXLXIMEGSA-N 433.577 5.729 30 20 IKED COc1ccc(CNc2ccccc2Oc2ncccc2C#N)cc1SC(F)(F)F 742258846 SHYNHDWBQNDBRS-UHFFFAOYSA-N 431.439 5.978 30 20 IKED C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 743953043 NNLBJAFSHKVSBD-ZYKLXPEUSA-N 441.506 5.029 30 20 IKED CC(C)n1cc(Br)cc1C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 744032113 CLPHSJNAYMKASV-AWEZNQCLSA-N 443.128 5.099 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(Br)cn2C(C)C)cc1 744033363 PUXKQKFXQDVRMO-KDOFPFPSSA-N 430.346 5.306 30 20 IKED N#Cc1ccc(CN(Cc2coc(-c3cccc(F)c3)n2)c2ccc3nc(O)[nH]c3c2)cc1 744405839 CUTQHFRLPYFKIU-UHFFFAOYSA-N 439.450 5.141 30 20 IKED COc1ccc(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1OCCCC#N 747472793 CLOJCOKKQKYMEO-GXPOEHQZSA-N 438.574 5.340 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC(c3nc(C(C)(C)C)cs3)CC2)cc1 750060109 DKVNFJMKQJOXCZ-LJQANCHMSA-N 438.641 5.264 30 20 IKED N#C[C@@H](C(=O)[C@H]1OCCc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 750316176 QWLSEGDJSVVWBZ-JXFKEZNVSA-N 429.328 5.607 30 20 IKED N#C[C@@H](C(=O)Cc1ccc(OCc2ccccn2)cc1)c1nc2cc(Cl)ccc2s1 752482098 PVCWNQQWPOVGGJ-IBGZPJMESA-N 433.920 5.343 30 20 IKED CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1coc(-c2ccc(C(F)(F)F)cc2)n1 756209027 XPRUMNVOJSJKFR-UHFFFAOYSA-N 430.382 5.133 30 20 IKED COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(NC(=O)c2cccs2)c(C)c1 759764229 SYRUNFMGDXWGGN-UHFFFAOYSA-N 426.881 5.062 30 20 IKED CCc1noc(CC)c1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 766258510 FWKLBENCEXWELO-AWEZNQCLSA-N 434.348 5.649 30 20 IKED C[C@@H](c1ccccn1)N(C(=O)CCCCOc1cccc(C#N)c1)c1ccc(N(C)C)cc1 766588819 XWRXVRLVIKAZBF-NRFANRHFSA-N 442.563 5.363 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)CC2)cc1 768198845 QDHQSTRUAOPAFI-UHFFFAOYSA-N 427.118 5.496 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)c(Cl)c1 772906217 JAKGQUQWLOGMMQ-UHFFFAOYSA-N 426.090 5.610 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(Br)ncc2Cl)cc1F 779639844 TXSUZZVMDHQOSU-UHFFFAOYSA-N 446.663 5.553 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnc(-c3ccc(F)c(F)c3)s2)cc1 780310030 RKAZUCVIAYLFMM-GUYCJALGSA-N 439.487 5.563 30 20 IKED COc1ccc(-c2nc3c(s2)[C@H](NC(=O)Nc2ccccc2O[C@@H](C)C#N)CCC3)cc1 780667063 FRQCUZKMYXHBJW-MGPUTAFESA-N 448.548 5.309 30 20 IKED CC(C)(C)OC(=O)N1CCC([C@@H](NCc2cc(C#N)ccc2F)c2ccc(F)cc2)CC1 782771542 PCGRCPYYGRTDNW-QHCPKHFHSA-N 441.522 5.314 30 20 IKED C[C@@H](NC(=O)[C@H](C#N)C(=O)c1cccc(-c2cscn2)c1)c1ccc(Cl)cc1Cl 787048729 CPMZCTCWONQNJF-SJKOYZFVSA-N 444.343 5.317 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 787433302 KELIMNMSDMYYQR-SBUREZEXSA-N 431.923 5.962 30 20 IKED Fc1ccc(C(CCSc2ccccn2)=NNc2nnc(-c3ccccn3)s2)cc1 788027675 FVGYJWVHZZNVIM-UHFFFAOYSA-N 436.541 5.133 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Br)cn1 793403877 WVFDFCCLDBXSGB-MGPUTAFESA-N 435.325 5.382 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CC[C@H](C(F)(F)F)[C@@H]2C)c1=S 794663696 VCSHNQSAOFABGJ-BBRMVZONSA-N 446.926 5.063 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl 796843554 YWVMUVFZLWELSE-UHFFFAOYSA-N 430.848 5.028 30 20 IKED CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc2ccccc12 799209780 DQQHMGKLHFSQSK-FQEVSTJZSA-N 439.487 5.098 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Cc3cncc4ccccc34)n2)cc1 805864923 RFOJZSJSGRNVID-OPAMFIHVSA-N 427.529 5.422 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N[C@@H](C)c2ccc(Oc3cccnc3)cc2)cc1 806623401 NMSVRXFMRNTZRZ-LEWJYISDSA-N 428.536 5.168 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)c3cccc(Br)c3)n2)cc1 813063641 AMTDERAKNPWLCI-FZKQIMNGSA-N 441.350 5.561 30 20 IKED CN(Cc1cccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c1)C(=O)OC(C)(C)C 814641325 FPVXIJAZXKNJIL-QFIPXVFZSA-N 436.556 5.610 30 20 IKED C=CCC(F)(F)C(=O)N1CCC(CCCC2CCN(C(=O)C(F)(F)CC=C)CC2)CC1 815685378 UDIYFXKAQKXGKN-UHFFFAOYSA-N 446.529 5.057 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)N3CCC(C(F)(F)F)(C(F)(F)F)C3)s2)c(F)c1 883979539 OHMPWUNFNIRFDJ-UHFFFAOYSA-N 440.384 5.523 30 20 IKED Cc1ccc(C(=O)N2CCC[C@@H](C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)C2)cc1 915100017 KICCPSVSLVOGAU-YADHBBJMSA-N 443.572 5.156 30 20 IKED O=C(/C(=C/c1csc(-c2ccccn2)n1)c1nc2ccccc2s1)c1ccccc1 915982391 AHYUFQKBRBKNNF-JXAWBTAJSA-N 425.538 6.238 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C3SCCCS3)cc2)cc1 916914422 LCRULAJFTHAOER-NRFANRHFSA-N 438.618 5.859 30 20 IKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1 916933288 BVMMCDOGFXDKAX-XSLBHYSZSA-N 436.920 5.438 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(COC(=O)/C=C\c2ccccc2C#N)cs1 919045637 AUTBBMSWOPHLKK-WDZFZDKYSA-N 437.908 5.109 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](Oc3ccccc3)c3ccccc3)n2)cc1 920139253 PPGAKSJUABGZDR-RDGATRHJSA-N 440.524 5.815 30 20 IKED Cc1c(C(=O)/C=C\c2cc3cnn(C(C)C)c3nc2Cl)nnn1-c1cccc(Cl)c1 920388810 ICEQTXRCJGIQIH-FPLPWBNLSA-N 441.322 5.104 30 20 IKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)/C=C\c1ccccc1C#N 920844955 KIHGKBYRVLGCIJ-BENRWUELSA-N 449.432 5.790 30 20 IKED CCOc1ccc(C=Nc2cc(OCC)c(NC(=O)c3ccccc3)cc2OCC)c(O)c1 920943137 QWRDKFSGYBRGCQ-UHFFFAOYSA-N 448.519 5.591 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2ccccc12 1797300603 MVOLJJMUPSZIPZ-NUNAXRQHSA-N 446.667 5.143 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(Cl)cc3C)C2)CC1 1805092481 LNABRKXXSHBSFW-OAQYLSRUSA-N 429.004 5.262 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccnc(C(C)(C)C)c2)[nH]n1 1819303781 OZFZQNKEXBDSHO-FPOVZHCZSA-N 449.599 5.177 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C(C)=C/c2ccc(C)o2)[nH]n1 1819307565 WMCVDJUVWPCARA-JYRUWLJJSA-N 436.556 5.175 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sccc2Cl)n[nH]1 1819957041 GVBGLDUMQUXSCK-PBHICJAKSA-N 432.977 5.199 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)n[nH]1 1822320659 RGAFVOGVNFKRFL-KCZVDYSFSA-N 434.584 5.198 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ncccc23)CC1 1828027469 DSDJAFLJEUPEQO-NVQXNPDNSA-N 445.607 5.237 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ccn(C)c23)CC1 1828828023 BNGGLDSFVIJSMY-UKILVPOCSA-N 447.623 5.180 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc3ccc(C)cc3s2)CC1 1831371999 RIRXGBPHSPRGGQ-NQIIRXRSSA-N 439.625 5.050 30 20 IKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCCC(C)(C)C)CC1 1831574116 HBNNRHGYAKXJES-XMMPIXPASA-N 448.692 5.586 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2ccc(C)cc2)cc1 10173183 CKUQOEUAEBHTII-UHFFFAOYSA-O 431.625 6.193 30 20 IKED C=CCn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Br)cc1 10609443 RDBCITOATPZFFK-UHFFFAOYSA-N 431.315 5.094 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)cc2)[n+]2ccc3c(c2)CCCC3)cc1 22730922 DGOSKNFHQLYPJC-UHFFFAOYSA-O 445.608 5.611 30 20 IKED CC(C)c1ccc(CSc2nnc(SCC(=O)N[C@@](C)(C#N)C(C)C)s2)cc1 26093152 UZIRXFUTYWIPOW-FQEVSTJZSA-N 434.656 5.100 30 20 IKED Cn1cc(-c2nc(COC(=O)c3ccccc3SCc3ccc(C#N)cc3)cs2)cn1 108044483 NVMXUJSVFWLKQI-UHFFFAOYSA-N 446.557 5.065 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 110902203 AWBYQEJJENZADI-UHFFFAOYSA-N 443.462 5.278 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCc2nc(N)c3c4c(sc3n2)CCCC4)n1 302863411 BXWGVOAAHAHUCC-UHFFFAOYSA-N 435.500 5.039 30 20 IKED Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 303193654 MRYMYMVULXKYSE-UHFFFAOYSA-N 433.895 5.071 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nnc1-c1ccccc1 303291482 MMUGGLBYZNMIIF-KRWDZBQOSA-N 449.605 5.114 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)Cc1ccc(OCC#N)cc1 303415932 BGUZMGWAHOPCFE-CQSZACIVSA-N 425.941 5.094 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)Nc3ccccc3S[C@H](C)CC#N)ccc21 303672142 YXMAAETUPAXVIT-CQSZACIVSA-N 446.498 6.283 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)Nc3cccc4[nH]ccc34)cc2Cl)cc1 426184032 RUJSMOXHZQNECK-UHFFFAOYSA-N 430.851 5.062 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccccc2SCc2ccc(C#N)cc2)s1 430603372 YMSDGZCUJFRARJ-IBGZPJMESA-N 431.586 6.095 30 20 IKED Cc1cc(C)c(-c2csc(NC(=O)CN[C@@H](CCCC#N)c3ccccc3)n2)c(C)c1 433018170 FONACLABFRGFJI-NRFANRHFSA-N 432.593 5.699 30 20 IKED C[C@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)Oc1ccccc1F 437954183 MMGIRLSVAUPSKR-MRXNPFEDSA-N 437.446 5.004 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCc1c[nH]c2c(C)cccc12 437964797 QKLCUCDZFIIXTE-UHFFFAOYSA-N 438.531 5.600 30 20 IKED Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 438223852 GKQBAGHDACBAOO-ZWSUVBHBSA-N 444.579 5.313 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](COCc4ccccc4)C3)cc2)cc1 438229616 WGLFWNCOOQPJAY-QFIPXVFZSA-N 427.504 5.421 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438659121 DOTAWXGITUQXPJ-UHFFFAOYSA-N 428.467 5.804 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(F)c(Br)cc2Cl)cc1 439623596 HHQAZABNVDQSMD-UHFFFAOYSA-N 441.688 5.193 30 20 IKED C=CCC[C@@H](NC(=O)N[C@H]1CCOC2(CCSCC2)C1)c1ccc(C(F)(F)F)cc1 442239273 SZBAPBFMXULCRR-RBUKOAKNSA-N 442.547 5.457 30 20 IKED Cc1cc2c(Br)ccc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)c2o1 443529922 NJRRHEJOMSEJBY-HNNXBMFYSA-N 438.306 5.512 30 20 IKED Cc1cc(Br)c(NC(=O)N2CCCN(c3ccccc3C#N)CC2)cc1Cl 444913556 OGHYREDUCHASOC-UHFFFAOYSA-N 447.764 5.027 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)CCC(=O)c2csc3ccccc23)CC1 446050936 GSNMUWRFJIRZDX-UHFFFAOYSA-N 432.545 5.242 30 20 IKED C[C@@H](NC(=O)N(Cc1ccccc1OC(F)(F)F)C1CCCC1)c1ccc(C#N)cc1 465652165 FEJDODLUHVJQJT-MRXNPFEDSA-N 431.458 5.672 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H](OC)c2ccc(F)cc2)cc1 467609034 UIIYOOIAZXPWBG-QHCPKHFHSA-N 435.455 5.007 30 20 IKED COCCN(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@H](C)c1cccc(C(F)(F)F)c1 469135618 XVJJTBAGLUWTLU-OAHLLOKOSA-N 443.425 5.082 30 20 IKED CC(C)(C)C[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1 470543846 YQJRQCIQURRLBB-QFIPXVFZSA-N 432.568 5.569 30 20 IKED C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 474275879 PKBKRZVEEPPPEU-YVEFUNNKSA-N 449.366 5.863 30 20 IKED CCOc1cc(Br)c(NC(=O)C[C@H](CC#N)c2ccccc2)cc1OCC 475110555 BRGSEOSJXRPGIL-INIZCTEOSA-N 431.330 5.273 30 20 IKED C=C(C)[C@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1ccc(F)c(F)c1 475672364 OAFNRHKDNILGSI-IBGZPJMESA-N 446.548 5.145 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCc1ccc(-c2csc(C)n2)s1 476786398 FGKYDECQVZVYCK-UHFFFAOYSA-N 443.642 5.288 30 20 IKED O=C([C@@H]1CCC(F)(F)C1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 480936884 RNZPMINQURNPKQ-QMTHXVAHSA-N 431.323 5.060 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F 481490739 YYZGXPWKCBCEFE-GOSISDBHSA-N 430.421 5.134 30 20 IKED COc1cccc(Cl)c1-c1noc(C)c1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 483436784 FGALJDXALHXIDR-GFCCVEGCSA-N 435.789 5.216 30 20 IKED C=CCc1cc(CNC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc(OC)c1OC 497736402 UANDWHWBJUNOBQ-UHFFFAOYSA-N 426.847 5.009 30 20 IKED COc1cc(Br)ccc1C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 501292240 VLCHEGFJFPCYDH-INIZCTEOSA-N 427.323 5.380 30 20 IKED CCCCOc1ccc([C@H](C)NC(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1OC 501417856 HBPZBTKWAYPCBB-SFHVURJKSA-N 441.597 5.036 30 20 IKED COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cn(CCCC#N)c2ccccc12 505469924 VUQFVBICCBJBBP-UHFFFAOYSA-N 449.514 5.749 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1c(F)cccc1F)C(F)(F)F 506317375 YPFGNDPTXBKQGB-CWTRNNRKSA-N 443.441 5.048 30 20 IKED C[C@@H](Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1)C(=O)Nc1cccc(C#N)c1 507877879 DZJRTYDLGIQTJC-OAHLLOKOSA-N 443.894 5.386 30 20 IKED C=C(C)CCc1noc(CSc2nnc(COc3ccccc3)n2-c2ccccc2)n1 508676930 FUETWAICTXYUQR-UHFFFAOYSA-N 433.537 5.030 30 20 IKED N#C[C@@H](NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1ccc(Br)cc1 510063058 NZKQZMAJGUYOTG-GOSISDBHSA-N 442.700 5.284 30 20 IKED C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510242312 YWYZAHSDXSHFDT-CYBMUJFWSA-N 427.530 5.066 30 20 IKED N#Cc1cc(C(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)cnc1C(F)(F)F 512070164 CYMOQJQCHMAFNW-UHFFFAOYSA-N 445.338 5.092 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 512512489 WDZUNBZZJHQJKC-HNNXBMFYSA-N 442.913 5.542 30 20 IKED Cc1ccc(-n2cc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)c(-c3ccccc3)n2)cc1 513196098 BCYFCUIHDSUXTR-HXUWFJFHSA-N 446.432 5.752 30 20 IKED CCN(Cc1c(F)cccc1F)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 513985288 MSRFDFFWNUTERH-UHFFFAOYSA-N 435.474 5.664 30 20 IKED C=CCN(C(=O)CCCCCNC(C)=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 514346505 DFOZPXMRUNOXNB-UHFFFAOYSA-N 440.396 5.332 30 20 IKED Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 517841744 SXDKNMIWBFZIQE-UHFFFAOYSA-N 440.478 5.473 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1cnn(-c2ccccc2)c1 519432957 JQFXVHLEFXVDFP-UHFFFAOYSA-N 444.482 5.468 30 20 IKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)N[C@@H](C)c1ccc(C#N)cc1 521276429 CAWGSEFFMZOEFB-SFHVURJKSA-N 449.576 5.500 30 20 IKED COc1ccc([C@H](Cc2ccccc2C)NC(=O)Nc2ccc(CC#N)cc2)cc1OC 521466520 ZQRUJKOKXRFXCA-QHCPKHFHSA-N 429.520 5.184 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCc3cccc(F)c3[C@@H]2C)cc1 523425192 GTEJGUGIBIXNIE-INIZCTEOSA-N 431.467 5.649 30 20 IKED N#CCCN(C(=O)CCC(=O)N(Cc1ccccc1F)c1ccccc1F)c1ccccc1 531026443 AOUKQEQUJLPGGJ-UHFFFAOYSA-N 447.485 5.225 30 20 IKED CC(C)c1c(C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)cnn1-c1ccc(F)cc1 534334062 DNQFTRITPPBCCQ-LJQANCHMSA-N 446.404 5.028 30 20 IKED C[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccc([S@](C)=O)cc1 535195310 HNCPQSZGADPUFF-FOGNVHKLSA-N 438.936 5.232 30 20 IKED N#CC1(NC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)CCSCC1 535316968 AQPJRYLFSJUATP-UHFFFAOYSA-N 426.538 5.383 30 20 IKED N#Cc1ccc(CN2CCC(NCc3ccccc3COCc3ccccc3)CC2)cc1 538398655 SKZBBLNMIJRPCD-UHFFFAOYSA-N 425.576 5.029 30 20 IKED N#Cc1ccc(NC(=O)c2ccc(Br)cc2C(F)(F)F)cc1C(F)(F)F 539562155 AJWLNLINZXDHIW-UHFFFAOYSA-N 437.137 5.611 30 20 IKED COc1cc(Br)ccc1CCC(=O)Nc1ccccc1SC[C@@H](C)C#N 541113601 ICRYIWIIYOKIII-AWEZNQCLSA-N 433.371 5.281 30 20 IKED N#Cc1ccc(CN(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)C2CC2)cc1 541479135 PZZVXMMCMCQSNJ-UHFFFAOYSA-N 440.277 5.341 30 20 IKED N#CCc1ccnc(NC(=O)c2cc(C(F)(F)F)ccc2Sc2cccc(F)c2)c1 542528339 PAQHDJQUCUQDST-UHFFFAOYSA-N 431.414 5.709 30 20 IKED COc1cc(C#N)ccc1CN[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 543505577 TVHRESZFIANFLG-ZDUSSCGKSA-N 428.355 5.304 30 20 IKED COc1cc(C#N)ccc1NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1 546002392 HFENFGYFZQDNRS-FQEVSTJZSA-N 430.508 5.714 30 20 IKED N#CC1(c2nc(-c3ccccc3-c3ccc(CN4CCCC4=O)cc3)no2)CCCCC1 547026393 YYOKXVDUHLREHT-UHFFFAOYSA-N 426.520 5.251 30 20 IKED Cc1ccc(Sc2ccc(Cl)cc2)c(C(=O)N2CCC(C#N)(c3ccccn3)CC2)c1 548774932 YRTQBFYWMGSOGV-UHFFFAOYSA-N 447.991 5.892 30 20 IKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 563766930 SXRLPZOSPMLSAF-UHFFFAOYSA-N 428.467 5.320 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Oc3cccnc3)cc2)cc1C 570126134 FKWPXJQKVFLOES-UHFFFAOYSA-N 437.503 5.520 30 20 IKED CN(Cc1ccccc1N(C)C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 573243152 AJRNPQIRVAAPQD-UHFFFAOYSA-N 428.536 5.062 30 20 IKED CCn1c(SCCC(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1cccc(Cl)c1 589932532 CFKUJXLCTKFVLE-UHFFFAOYSA-N 446.363 5.264 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1OC 603691129 BPTUKELSFKNOHL-OAQYLSRUSA-N 444.491 5.132 30 20 IKED CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 603949384 GRGDRZQFBHSGPC-UHFFFAOYSA-N 429.398 5.067 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCCCc1nc2c(s1)CCCC2 608903106 ZESKTBZFSAWVGF-UHFFFAOYSA-N 433.602 5.407 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)(C)C 608919803 LIRLXTVSXIYOPT-OAQYLSRUSA-N 447.501 5.522 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2F)c1 609106082 HXPOSOVLUCXLLH-UHFFFAOYSA-N 428.385 5.476 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)Cc3coc(-c4ccc(Cl)cc4)n3)c2)c1 609163701 VESIORDSKBQQCT-UHFFFAOYSA-N 443.890 5.627 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Cc1cccc(OCc2cccc(Cl)c2)c1 609298004 SFLRREDGYUEBPJ-UHFFFAOYSA-N 448.950 5.008 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1C(F)(F)F 609371531 MYLLPHKDIHUQTN-LBPRGKRZSA-N 439.415 5.025 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccnc(OCc2ccccc2)c1 609436793 UGDUIHQTPOAPDS-GOSISDBHSA-N 432.549 5.377 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccnn3[C@H]3CCCc4ccccc43)cc2)nc1 609502381 YPGDDFHAUCIKHN-QHCPKHFHSA-N 435.487 5.120 30 20 IKED Cc1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)s1 609601408 MSCWCYUOPAUGKM-UHFFFAOYSA-N 444.516 5.943 30 20 IKED C[C@H]1CN(Cc2cccc(NC(=O)c3ccccc3-c3ccccc3C#N)c2)C[C@@H](C)O1 609976176 ZMIDQMAZWSKXTE-BGYRXZFFSA-N 425.532 5.087 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)o1 613407319 QQAOOYQHNIICHU-MRXNPFEDSA-N 433.876 5.483 30 20 IKED N#C[C@@H](C(=O)c1cccc(Nc2ncccn2)c1)c1nc(-c2ccc(Cl)cc2)cs1 642281732 GYZYZOSIWPKNBK-SFHVURJKSA-N 431.908 5.487 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)s2)cc1 642281751 POJQFMJECMGUSF-GOSISDBHSA-N 431.542 5.741 30 20 IKED C=CCn1c(-c2cccc3cccnc23)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 669814192 WFTAAHPPBDVXAA-RDGATRHJSA-N 439.563 5.283 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cccnc2Oc2ccccc2)nnc1-c1ccco1 675740899 CPQNASRUCRWMDZ-UHFFFAOYSA-N 447.520 5.032 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Cl)c1SC(F)F 726078006 AYNXHMDWDOHWJD-UHFFFAOYSA-N 425.888 5.207 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1Cl 726626888 MIDCCBITIOLDPY-CHHVJCJISA-N 435.755 5.380 30 20 IKED COc1ccc(CCCCCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 727628049 RSKSHIBRTLQMDC-GOSISDBHSA-N 433.335 5.452 30 20 IKED CCN(CC)c1ccc2cc(C(=O)/C=C/c3ccc(OC)c(OC)c3Cl)c(=O)oc2c1 730434728 SKEASUCLAFAJGX-DHZHZOJOSA-N 441.911 5.206 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=Nn1c(S)nnc1-c1ccc(F)cc1 730549485 LZVSOZIHNCFZOU-UHFFFAOYSA-N 447.326 5.056 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C(C)(C)c1ccc(Cl)cc1 731073169 CKNUICOWXBPHTP-HNNXBMFYSA-N 430.957 5.194 30 20 IKED CC(C)(C)n1cc(/C=C/C(=O)c2ccc(C(F)(F)F)nc2O)c(-c2ccccc2Cl)n1 731565037 YNXFUDPVSIAKIO-CSKARUKUSA-N 449.860 5.974 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2)cc1 731972436 MPURAVXXMKMLGW-NDEPHWFRSA-N 443.506 6.453 30 20 IKED N#C[C@@H]1CN(C(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)CCN1C1CC1 732650714 CMQIGZJXWNXQJI-LJQANCHMSA-N 446.403 5.098 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)ccc1OC 733276020 AILQGRBJCFKQJM-HXUWFJFHSA-N 426.944 5.158 30 20 IKED C=CC[C@@H](NC(=O)c1ccc(COc2cccc(Br)c2)o1)c1ccncc1 734360861 NDQGDNUFDKBQAP-LJQANCHMSA-N 427.298 5.063 30 20 IKED N#CCOc1ccc(Cl)cc1CSc1nnc(-c2ccncc2)n1-c1ccccc1 735231645 XQEWHTQQXCYKGY-UHFFFAOYSA-N 433.924 5.177 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 735367940 FQRWBQAANDTPNE-UHFFFAOYSA-N 448.435 5.515 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](Cc2ccccc2)c2sccc2C)c1 736659687 UWRGNUPMWFMDGU-FYYLOGMGSA-N 433.577 5.521 30 20 IKED N#CCOc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)(F)F)cc1 740786453 RQFIPQWPVSEQKT-UHFFFAOYSA-N 448.388 5.443 30 20 IKED Cc1nc(Cl)cc(NN=Cc2c(-c3ccc(Br)s3)nc3ccccn23)n1 741765738 CVRRZSJAUIYMJJ-UHFFFAOYSA-N 447.749 5.023 30 20 IKED COCCOc1cccc(F)c1C(=O)/C=C/c1cccc(OCc2cccc(C#N)c2)c1 741840750 CYHDPKADIDKEDP-VAWYXSNFSA-N 431.463 5.198 30 20 IKED CC(C)(C)OC(=O)NC(C)(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 742355955 JZXSBEVLSAOZCE-UHFFFAOYSA-N 429.904 5.246 30 20 IKED N#CCCCOc1cccc(/C=C2/SC(=S)N([C@@H]3CCOc4ccccc43)C2=O)c1 743281623 CYKQWFNGYUQQIC-DDNKWHRWSA-N 436.558 5.094 30 20 IKED COc1ccccc1Oc1ccc(N[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)cc1 743464981 RVOBYUUGLVMZLL-HXUWFJFHSA-N 429.520 5.543 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(Cc2ccccc2)C2CCCCC2)ccc1OC 745820214 ROFTWIQFABLZCR-QHCPKHFHSA-N 435.568 5.421 30 20 IKED Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)N[C@H](CCC#N)c1ccccc1 749220406 BLVOMKOURCRTHQ-UXHICEINSA-N 427.980 5.393 30 20 IKED C=CC[C@@H](NC(=O)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1)c1ccncc1 749724721 IZPWPSIOPDKSSF-HXUWFJFHSA-N 437.952 5.258 30 20 IKED N#Cc1ccc(CC(=O)O[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1 750245520 BMXXGXDTXIHASO-JOCHJYFZSA-N 438.405 5.043 30 20 IKED C[C@@H](NC(=O)CC1CCCCC1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 750395483 ORTJTARNRRBZCX-RDTXWAMCSA-N 429.973 5.115 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)c1 750628587 CBYQCGGZLKABLC-QFIPXVFZSA-N 434.540 5.208 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nc(C2CCCCC2)no1 752634663 ARKCXZGYCQOCJA-HTAPYJJXSA-N 429.524 5.655 30 20 IKED C=CCn1c(SCc2cccc(SC(=O)N(C)C)c2)nnc1-c1ccccc1OC 753063197 UOEDQOAOILWKAS-UHFFFAOYSA-N 440.594 5.206 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2(c3ccc(F)cc3F)CCOCC2)cc1 760389878 MBAKRFZZRGSRRX-JOCHJYFZSA-N 432.470 5.307 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(O)(c2ccccc2Cl)CC1 765068592 BDYKBFSNPHMQRM-UHFFFAOYSA-N 448.975 5.487 30 20 IKED N#C[C@@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)c1nc2ccccc2n1C(F)F 769943889 BVDRHMZCHKGBMJ-GFAPJHNFSA-N 439.771 5.907 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)C(=O)c1ccc(Cl)cc1 777310543 UWVXUAUZYSXDJJ-AUUYWEPGSA-N 433.920 5.421 30 20 IKED C=CC[C@H](C(=O)OCc1csc(N(C(C)=O)c2ccccc2CC)n1)c1ccccc1 778418846 PINYXOZBVOWEGN-QFIPXVFZSA-N 434.561 5.793 30 20 IKED COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 785679028 UIBHHPHPXLVALW-RPWUZVMVSA-N 433.939 5.847 30 20 IKED C=C[C@](C)(CC)C(=O)OCc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 785758142 SAPBYMCSNRTRFS-LJQANCHMSA-N 426.460 5.492 30 20 IKED CC[C@@H](NC(=O)[C@H](C#N)C(=O)c1ccc(CSc2nc(C)cs2)cc1)c1ccccc1 787041602 PMWXZRGBTYLZFF-NHCUHLMSSA-N 449.601 5.334 30 20 IKED CC[C@@H](C)Oc1ccccc1/C=C\C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 787353039 OAXNMRYMJPPPGD-LMICACPXSA-N 431.536 5.099 30 20 IKED Cc1ccc([C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2ccccn2)cc1 791752034 SJYARUIJPAIRGP-AHKZPQOWSA-N 432.527 5.957 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCOc2c1ccc(Cl)c2Cl 792780534 SUBPKCGWBMJCCB-IUODEOHRSA-N 436.364 5.890 30 20 IKED Cc1ccc(C)c(NC(=O)[C@H](OC(=O)C[C@@H](CC#N)c2ccccc2)c2ccccc2)c1 795982695 RPEBJIISUYYTBJ-ZEQKJWHPSA-N 426.516 5.614 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cnn(C3CCCC3)c2)cs1 799894984 BGWJLVNOVRSWTN-DHZHZOJOSA-N 440.956 5.689 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1cccc(Cl)c1Cl)[n+]1c(C)ccc(O)c1Cl 802708057 DMMUZYACSUTHCG-UHFFFAOYSA-O 444.791 5.325 30 20 IKED CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[C@H](C#N)c1cnc2ccccc2n1 805929456 FWKNVMBGQDXHQZ-GCJKJVERSA-N 444.535 5.098 30 20 IKED Cc1ccccc1[C@H](O)C1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 806228480 ARUKHPZHUUNZKG-AREMUKBSSA-N 441.531 5.637 30 20 IKED COC(C)(C)c1nc(C)c(C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)s1 811240628 QTLAMBKKERWHQQ-UHFFFAOYSA-N 434.561 5.390 30 20 IKED N#C[C@H](C(=O)C1CCC(OC[C@@H]2CCCO2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 815910754 GNBIUXUIMRRHNN-DXBWTPJFSA-N 444.984 5.394 30 20 IKED C=C1c2ccccc2C(=O)N1CCC(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C 914520004 GCFNIVQODYCZGO-UHFFFAOYSA-N 439.490 5.056 30 20 IKED O=C(O)Cc1ccc(C(=O)/C=C\c2csc(-c3cccc(Br)c3)n2)cc1 915987474 DZILCEJPFNXNAO-HJWRWDBZSA-N 428.307 5.096 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CSCc2coc(-c3ccccc3)n2)cc1 916051060 KBMHBWIFORBHRS-XMMPIXPASA-N 439.540 5.869 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1Cl 916137531 FBKNLGQFIZVMIO-FMIVXFBMSA-N 449.934 5.879 30 20 IKED C=CCOc1cccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)c1 916272636 FVBSFRTXOKTWMZ-UHFFFAOYSA-N 435.936 5.534 30 20 IKED Cc1c(-c2ccccc2)oc2c(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cccc2c1=O 916627506 ZEYMKCUUFIRFRF-LJQANCHMSA-N 436.492 5.868 30 20 IKED C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916846995 JCCOUYBTFXXKAB-KBXCAEBGSA-N 449.576 5.217 30 20 IKED N#C[C@H](C(=O)COc1ccc(-c2ccccc2)cc1Cl)C(=O)Nc1ccccc1Cl 916908334 HFQRJZBAGBBPIB-QGZVFWFLSA-N 439.298 5.387 30 20 IKED O=C(CN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)Nc1ccccc1SC(F)F 918739653 ATQSPBKRJYEYKX-AOOOYVTPSA-N 436.368 5.003 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)CC[C@@H]3CNc4ccccc4C3)cc2)CCC1 1788067717 NWOCJRUCTWRNHU-SFTDATJTSA-N 445.607 5.397 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cccc4cc[nH]c34)cc2)CCC1)C(F)(F)F 1789093199 USHNDLYOEAVZNZ-UHFFFAOYSA-N 427.426 5.034 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@H]4Sc5ccccc5[C@@H]43)cc2)CCC1 1789529408 GVGCSRKNCYKNAM-YYLLSARXSA-N 432.589 5.221 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCc3cccc(C)n3)CCC2)cc1 1789624295 VXFYHZARQJNATJ-UHFFFAOYSA-N 433.596 5.449 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)C4CC(F)(F)C4)CCC3)cc2)c1Cl 1790083127 QCELBPLGQCJJNS-UHFFFAOYSA-N 443.881 5.005 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(F)cc3)CCC2)cc1)C(F)(F)F 1791305544 QNNRABJMWQBWKK-UHFFFAOYSA-N 434.433 5.011 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccncc1-c1cccc(C)c1 1796460951 GLYMLNWGSXZANG-NUNAXRQHSA-N 445.607 5.301 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)n[nH]1 1818931460 PBXXIFMMMYDQOH-SXEONFLVSA-N 426.605 5.221 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)c(OC)c2)CC1 1828827008 GQWPJAKCQJRTKP-DNQXCXABSA-N 438.612 5.005 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2ccc(F)c(Cl)c2)c1 10754644 DQIYOYANOIJRQA-UHFFFAOYSA-O 444.895 5.034 30 20 IKED COc1ccccc1NC(=O)c1cc2ccccc2cc1OCCOc1ccc(C#N)cc1 14736070 GVKINIXCXLCHCF-UHFFFAOYSA-N 438.483 5.430 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccccc2C)cc1 23603325 BYIYNDWOODEOIJ-UHFFFAOYSA-O 434.629 6.182 30 20 IKED C=CCN(C(=O)c1cc(-c2ccccc2)on1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 57650744 AJQNGRXQXZPIEW-UHFFFAOYSA-N 432.461 5.206 30 20 IKED CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 62882224 KOORBIUMRQVKOT-INIZCTEOSA-N 434.879 5.613 30 20 IKED CCOC(=O)c1ccc(C#N)c(S[C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)n1 115498322 OQOXTQAEBQXPNG-NSHDSACASA-N 448.426 5.052 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2nncn2[C@H](C)c2ccccc2)n(C2CCCC2)c1C 117465044 YCUUSZIHZDEABN-GOSISDBHSA-N 448.596 5.023 30 20 IKED N#C[C@H](C(=O)CCCOc1cccc(Cl)c1Cl)c1nc2ccccc2n1C(F)F 195720744 OPTCOGSZZXNRMA-GFCCVEGCSA-N 438.261 5.774 30 20 IKED C[C@@H](C#N)SC1=N/C(=C/c2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1Cl 210625723 XTUXCTLOBHSJSR-ZRRZQRFHSA-N 436.751 6.036 30 20 IKED CCc1cccc2c(C3CCN(C(=O)CCCOc4ccc(C#N)cc4OC)CC3)c[nH]c12 302933879 FELAMKSYYCQLMM-UHFFFAOYSA-N 445.563 5.176 30 20 IKED N#C[C@H](C(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 303232009 YMMJFHWQFKTDTL-QGZVFWFLSA-N 446.881 6.390 30 20 IKED CC(=O)c1sc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)nc1-c1ccccc1 428275595 WZYDFIPEHPRVQA-UHFFFAOYSA-N 441.516 5.042 30 20 IKED CCc1noc(-c2ccc(C)c(NC(=O)c3cccc(OCc4ccccc4C#N)c3)c2)n1 430468192 DYLFDPAZQGVHBG-UHFFFAOYSA-N 438.487 5.310 30 20 IKED C[C@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)Cc2ccccc2O1 432680024 QGYHCMOSCMBQPT-IBGZPJMESA-N 427.504 5.147 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)Nc1cccc(CSCc2ccccc2)c1 435048434 AMWXPAAOSFBUND-UHFFFAOYSA-N 446.576 5.125 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4nc(C5CC5)no4)cc3)n2)cc1 435458649 KIYXONKYMRLRFC-IBGZPJMESA-N 426.501 5.536 30 20 IKED CC(C)(C)Oc1cc(F)ccc1NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 439407361 ZQQGOBCNWRRMLN-UHFFFAOYSA-N 447.466 5.244 30 20 IKED N#Cc1cc(NC(=O)C(=O)Nc2cccc(OCc3ccc(Cl)cc3)c2)ccc1Cl 440307718 YVXKHBWMYDTUIK-UHFFFAOYSA-N 440.286 5.021 30 20 IKED N#Cc1cc(NC(=O)C(=O)NCCC2CCCC2)ccc1Oc1ccc(C(F)(F)F)cc1 441763271 QCJODUOQRBZWQV-UHFFFAOYSA-N 445.441 5.004 30 20 IKED C=C(C)Cn1c(SCc2cc(C)nc(-c3ccc(Cl)cc3)n2)nnc1-c1ccncc1 443517743 DZRIETFBFRZIJQ-UHFFFAOYSA-N 448.983 5.627 30 20 IKED N#C[C@H](C(=O)c1c[nH]nc1-c1c(F)cccc1F)c1nc(-c2c(F)cccc2F)cs1 464505856 FWNINGNJIDASEI-SNVBAGLBSA-N 442.397 5.247 30 20 IKED C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1nc(C2CCCCC2)no1 464708272 RHSRBEAHSRUBOW-INIZCTEOSA-N 432.549 5.631 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2c(C)nn(C)c2Oc2cccnc2)cc1 464930209 QPJVFZKNFMAOAW-UHFFFAOYSA-N 439.475 5.141 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nc(C2CCCCC2)no1 467034985 QWAKZESKYOZBKF-INIZCTEOSA-N 431.496 5.664 30 20 IKED C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 473631036 KDJJYLBANUCXCG-INZIPBBXSA-N 433.533 5.313 30 20 IKED COC(=O)c1nc([C@@H]2CCCN2Cc2cccc(OCc3cccc(C#N)c3)c2)sc1C 475347178 FZZBMBXUEHNPIC-QFIPXVFZSA-N 447.560 5.026 30 20 IKED COC(=O)C[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)cc1 477772195 KJVUUNPKOPPKAR-KSSFIOAISA-N 431.945 5.160 30 20 IKED N#Cc1ccc(C[S@](=O)Cc2csc(-c3ccc(Br)cc3)n2)cc1F 478362196 PIPNURFIGGKSDR-VWLOTQADSA-N 435.343 5.032 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)cc1 478582140 GTHMABVDWKIIRO-UHFFFAOYSA-N 437.931 5.209 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CCCc4c(O)cccc43)c2)cc1 479236843 BAPNSBJJGDEIHQ-XMMPIXPASA-N 427.504 5.236 30 20 IKED N#CCCCOc1cccc(NC(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)c1 480026066 NEVFSTIEQVHUQZ-FTJBHMTQSA-N 426.516 5.690 30 20 IKED C=C(C)Cn1c(SCC(=O)N2CCC[C@H](c3ccccc3)CC2)nnc1-c1ccco1 481507739 LTMROUQXJYQTSV-FQEVSTJZSA-N 436.581 5.003 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)c2)cc1 482336590 XUBRORYDJJNUBR-UHFFFAOYSA-N 449.514 5.588 30 20 IKED C=C(C)Cn1c(SCC(=O)N2CCC[C@H]2c2cc(C)ccc2C)nnc1-c1ccco1 483118439 ZGTCOVHVDGIJKM-FQEVSTJZSA-N 436.581 5.187 30 20 IKED C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(CC(=O)Nc2ccccc2SCC#N)C1 485972565 IXXSHYOIZDWKGW-DNVCBOLYSA-N 433.499 5.343 30 20 IKED C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N[C@H](CCCC#N)c2ccccc2)cc1 487500238 JINFZQQEJLVXBC-DNRQZRRGSA-N 447.579 5.020 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)NC34CCC(C(F)(F)F)(CC3)CC4)n2)c(Cl)c1 488560834 PFLWQSVVZHDUEG-UHFFFAOYSA-N 437.853 5.174 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3nnc(/C=C/c4ccco4)s3)c2)c1 490316304 PNTZLYBHRGAWDB-MDZDMXLPSA-N 428.473 5.004 30 20 IKED O=C(Nc1cc(F)c(OC(F)F)cc1F)N[C@@H](c1cccc(F)c1F)C(F)(F)F 491412207 FPSKDPSPKRDYKD-ZDUSSCGKSA-N 432.242 5.270 30 20 IKED CCCc1c(NC(=O)Nc2cnn(CCC(C)C)c2CC)cnn1-c1cccc(C#N)c1 494877560 IFLUEBMYWJNMRU-UHFFFAOYSA-N 433.560 5.145 30 20 IKED N#C[C@@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1cccc(Br)c1 496289199 GDJLWCOUMHVCPJ-QGZVFWFLSA-N 444.716 5.071 30 20 IKED COc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 498708996 YKSIKZXCCUKGNO-QFIPXVFZSA-N 439.531 5.046 30 20 IKED N#Cc1cccc(C2(NC(=O)N[C@@H]3CCCc4sc(-c5ccc(F)cc5)nc43)CC2)c1 502172121 UMMHJZPDJOFLGE-LJQANCHMSA-N 432.524 5.187 30 20 IKED N#Cc1cccc(COc2cccc(CN3CCC[C@@H](c4ncc5n4CCCC5)C3)c2)c1 502324107 AOELEOTUMGWILT-XMMPIXPASA-N 426.564 5.050 30 20 IKED Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)nn1CCC#N 504130846 NQOIZVPVTLCUEJ-UHFFFAOYSA-N 441.900 5.070 30 20 IKED COc1ccc(F)cc1[C@H](C)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 504736447 CLYBBRGITSGCDT-KRWDZBQOSA-N 433.483 5.362 30 20 IKED CCSc1cccc(NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 506772341 BIMBMRRUEZNSHQ-UHFFFAOYSA-N 427.580 5.458 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccc(Oc3ccccn3)cc2)CC1 506870198 DDCFBMDRPNEQNX-UHFFFAOYSA-N 428.492 5.257 30 20 IKED COc1ccccc1SC[C@@H](C)CNC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 508406020 YMACENNQOIDKQK-IBGZPJMESA-N 425.598 5.163 30 20 IKED N#CCCN(C(=O)CSc1nc(-c2ccccc2)ccc1C#N)c1cccc(Cl)c1 510173108 QSNFVNYQRBGKJP-UHFFFAOYSA-N 432.936 5.313 30 20 IKED Cc1ccc(OCc2cccc(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)c2)cn1 511150423 NYSLHWUEPRJRSY-HXUWFJFHSA-N 426.303 5.271 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H]3CCSc4ccc(F)cc43)c2)c1 511445983 PXWWMCXUXJPRTR-OAQYLSRUSA-N 446.507 5.308 30 20 IKED N#Cc1cccc(F)c1CC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 512552555 QAEKLVWVQBJTIN-UHFFFAOYSA-N 433.336 5.224 30 20 IKED Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 512752465 OHRZFWXFZVOYOG-UHFFFAOYSA-N 427.435 5.492 30 20 IKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 513096788 QAGZEFHTYDSXJM-CYBMUJFWSA-N 431.393 5.127 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)c1 513474187 FACMUDGVDCTZPY-AHWVRZQESA-N 426.516 5.035 30 20 IKED N#Cc1c(NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)sc2c1CCCCCC2 515677586 LCLMVXWPTXELQI-UHFFFAOYSA-N 438.528 5.429 30 20 IKED C[C@@](C#N)(NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)C1CCCCC1 516400009 OXFXLDKPVXLPGW-NRFANRHFSA-N 435.355 5.345 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(OC)c1 517653721 CXNMTWCSAMWVLZ-VWLOTQADSA-N 442.515 5.539 30 20 IKED N#CCCn1cc(C(=O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])c2ccccc21 517912595 YUCBPYQLGRXSBY-UHFFFAOYSA-N 425.444 5.392 30 20 IKED CC(=O)N1CCCc2cc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)ccc21 518379042 KBWRRYFPPAKMRR-UHFFFAOYSA-N 425.488 5.096 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc(-c2ccc(F)cc2)no1 518666512 CFMKLTMAHMFRPX-CQSZACIVSA-N 442.541 5.142 30 20 IKED C=CC1CCN(C(=O)Nc2cc(OCC)c(NC(=O)c3ccccc3)cc2OCC)CC1 519127166 UGZMCKRCTYCWBD-UHFFFAOYSA-N 437.540 5.166 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NC3CCN(Cc4ccccc4)CC3)c2)cc1 519196697 ONVVTQILZBVSEZ-UHFFFAOYSA-N 426.520 5.137 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H]3CCCO[C@H]3c3ccccc3)cc2)c1 520195684 HRBKJQCOLMJMTB-OFVILXPXSA-N 427.504 5.640 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)cc1 520722745 GITTZBLOGHYPCC-HSZRJFAPSA-N 436.870 5.357 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@H](c3ccc(Cl)cc3)c3ccsc3)cc2)nc1 521091937 DAQVXTLFAYAVBK-HSZRJFAPSA-N 445.931 5.980 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1nc(-c3ccc(C#N)cc3)cs1)O[C@@H](C)C2 521676858 LWFYNVCMIQTVRQ-DCPHZVHLSA-N 445.544 5.146 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)Nc1ccccc1SC[C@@H](C)C#N 521747895 DAMJSSVHYASSTE-DOTOQJQBSA-N 436.606 6.253 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3C[C@H]3c3ccc4ccccc4c3)s2)cc1 521752574 XACNAQSQDQKTEY-LEWJYISDSA-N 442.569 5.597 30 20 IKED CC(C)CN(CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)Cc1ccc(C#N)cc1 521822231 FWAILSYZAMVWMH-QFIPXVFZSA-N 446.576 5.049 30 20 IKED CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 522242279 DUBDVVOXUWFOPN-JLMWRMLUSA-N 437.971 5.219 30 20 IKED CC[C@H](C)n1ncc2c(C(=O)[C@@H](C#N)c3nc(-c4ccc(OC)cc4)cs3)cc(C)nc21 523960391 OKFLPVBBPBVQQM-HNAYVOBHSA-N 445.548 5.333 30 20 IKED CC(C)(C)Cc1nc(-c2cccc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)c2)no1 524646694 ZNUXWDFNRALEKH-GOSISDBHSA-N 442.441 5.339 30 20 IKED CN1CCC[C@@H](CNC(=O)c2ccccc2Sc2ccccc2C#N)[C@H]1c1cccs1 525040587 LCVKNFNFVDMXPR-CYFREDJKSA-N 447.629 5.584 30 20 IKED CN(c1ccccc1)C1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 531465232 VWAZOKNHVYCQKD-UHFFFAOYSA-N 441.600 5.592 30 20 IKED N#Cc1ccc(NC(=O)N(Cc2ccccn2)Cc2ccc(Br)cc2F)cc1 531929315 UQXIMHYHFRIARU-UHFFFAOYSA-N 439.288 5.089 30 20 IKED C[C@H](C#N)CN(C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)C1CC1 532819213 YFJYLZSDZROMRO-SNVBAGLBSA-N 425.398 5.516 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2c(F)cc(Cl)c(C)c2F)nnc1-c1ccco1 534193061 RLBWSPVPELITLO-UHFFFAOYSA-N 438.887 5.085 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC2(c3ccc(F)cc3F)CCOCC2)cc1 534825471 GXMIRHPLTHRLHW-UHFFFAOYSA-N 449.457 5.456 30 20 IKED N#CCCSc1ccccc1NC(=O)c1cc(Br)cc(Br)c1 536925923 SIUOUQOGHGEDTQ-UHFFFAOYSA-N 440.160 5.470 30 20 IKED Cc1sc(NC(=O)CN[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c(C#N)c1C 539422682 BLEOUDDHGYNPFE-HNNXBMFYSA-N 435.393 5.087 30 20 IKED COc1cccc(C(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c2cccc(OC)c2)c1 541506300 UPAACZXVUXAXQT-UHFFFAOYSA-N 441.531 5.039 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCCC[C@@H]1c1c(C)n[nH]c1C 541995027 CJLGRAZHIAHVGU-XMMPIXPASA-N 443.551 6.148 30 20 IKED COc1cc(CSCc2nnc(C3CC3)n2C2CC2)ccc1OCc1cccc(C#N)c1 543018821 TZOSWVSFUWLRHV-UHFFFAOYSA-N 446.576 5.383 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(CCCn2ccnc2)CC1 543964155 CTSOWWJOFLUYEJ-UHFFFAOYSA-N 443.551 5.580 30 20 IKED O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N[C@@H](c1cccc(F)c1F)C(F)(F)F 544058152 VYQOWEQTEVRCLP-IBGZPJMESA-N 446.322 5.250 30 20 IKED O=C(CN1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1)Nc1ccccc1C(F)(F)F 554853868 KSUXCSDARNCLIV-GOSISDBHSA-N 434.355 5.233 30 20 IKED CC1(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 557668612 VBBANARTYHEXSO-CYWCHRQTSA-N 425.935 5.020 30 20 IKED COC(=O)[C@@H](NC1(c2nc(-c3ccccc3F)c(C)s2)CCC1)c1cccc(C#N)c1 559480187 WDOLLQVMIVNHRA-NRFANRHFSA-N 435.524 5.012 30 20 IKED CC1(C(=O)N(CCC(F)(F)F)CC2CC2)CCN(c2ccc(Cl)cc2C#N)CC1 561339249 QGIMAIYZCBPKAU-UHFFFAOYSA-N 427.898 5.009 30 20 IKED Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 578385966 JNLYCOVDFYZYLL-PMACEKPBSA-N 437.609 5.574 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](COc2ccccc2)C1 583705857 CIJKSOFIDSJYSK-ZODMCCGTSA-N 444.579 5.005 30 20 IKED C=C(C)COc1cccc(NC(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1 589739508 QWJNEBXNVLGATJ-IBGZPJMESA-N 429.520 5.777 30 20 IKED C=CCN(C(=O)c1ccc(C(N)=O)s1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 590412675 HOXVMMAFOAYTFU-UHFFFAOYSA-N 445.569 5.470 30 20 IKED CN(C(=O)c1cccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c1)c1ccccc1 591862259 MKPZTBHOSICJBY-QFIPXVFZSA-N 437.524 5.577 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 603533264 YKGLBLPOBWZGBL-INIZCTEOSA-N 445.519 5.286 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H](c4nc5ccccc5o4)C3)cn2)c1 603691114 AKWDOIBSSAEACK-SFHVURJKSA-N 439.475 5.298 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 603763764 FAWMAEZLTQVJDM-UHFFFAOYSA-N 440.528 5.667 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603822167 LAZXKPNCQPGQCH-HZPDHXFCSA-N 435.412 5.389 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(-n3cccn3)c(F)c2)cc1 604176488 RGOXIOOQVLAXBO-UHFFFAOYSA-N 428.492 5.428 30 20 IKED C[C@@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1cc(F)c(Cl)cc1Cl 605010607 AMUDPRGAVUKRRJ-SSDOTTSWSA-N 441.174 5.720 30 20 IKED C=CCn1c(SCC(=O)N2CCC[C@H](C)[C@H]2C)nnc1-c1ccc(Cl)cc1Cl 607526191 MDSKMBNLFZUQND-UONOGXRCSA-N 439.412 5.177 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)C1CCN(c2nc3ccccc3s2)CC1 608936250 XWDHNXFAEBINFQ-UHFFFAOYSA-N 442.544 5.211 30 20 IKED CCc1c(C)sc(NC(=O)c2cc(Cl)ccc2I)c1C#N 609032393 GCLUXAAFMZMFNN-UHFFFAOYSA-N 430.698 5.001 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc(-c3cccs3)nc3ccccc23)n1 609256512 CAFVRQCTXYQGPM-HNNXBMFYSA-N 433.514 5.087 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1CN1CCCC[C@H]1C 609401840 BONYZBVHDIVFJM-VQTJNVASSA-N 436.625 5.634 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(-c4nnc5n4CCCC5)cc3)cc2)cc1 609505865 YYXGQLXWRSYPEA-UHFFFAOYSA-N 449.514 5.392 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1nc(-c2ccc(Cl)cc2)no1 609682531 LNGMYWSIAMMBFS-CYBMUJFWSA-N 427.917 5.106 30 20 IKED COc1ccc(OC(F)F)c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 609727579 MDCYKDGZMQBHKP-UHFFFAOYSA-N 444.821 5.866 30 20 IKED Cc1ccc(Sc2c(Cl)cccc2NC(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)cc1 610385524 IIGFRQMKKKNNAB-INIZCTEOSA-N 449.963 5.487 30 20 IKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccsc2)nnc1-c1ccc(Cl)cc1 611859586 XNVXHYACWXRUIU-GOSISDBHSA-N 445.013 5.302 30 20 IKED O=C(c1ccccc1OCc1ccc(F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618295502 RWWOVWZDRRQVLN-GASCZTMLSA-N 449.366 5.608 30 20 IKED COc1ccc(-n2c(SCc3ccc(C#N)cn3)nnc2-c2ccccc2Cl)cc1 618908331 DZNWXQCCAVCXFE-UHFFFAOYSA-N 433.924 5.155 30 20 IKED C[C@@H]1CN(C(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)CCC1(F)F 644601811 XNQPWUJCXJBBRH-SNVBAGLBSA-N 441.322 5.027 30 20 IKED C=CCn1c(Sc2nc(C)nc3sc4c(c23)CC[C@@H](C)C4)nnc1-c1ccncc1 669623654 PJPKMCGFPQEIAU-CYBMUJFWSA-N 434.594 5.115 30 20 IKED C=CCOc1c(Br)cc(CN[C@H]2CCOc3ccc(OCC)cc32)cc1OC 681368699 LOYLLMYCTACXBQ-IBGZPJMESA-N 448.357 5.035 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)c3c(Cl)cccc3Cl)n2)cc1 726325305 NJWIBKFZXAXTSI-DOMZBBRYSA-N 431.344 6.105 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccccc3Cl)n2)cc1Cl 727626607 DKVWJZJDDYGCRL-CYBMUJFWSA-N 446.315 5.087 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)NCc1ccccc1Cl 728298286 CVVCPTHEGYIKPL-INIZCTEOSA-N 437.902 5.047 30 20 IKED Sc1nnc(-c2cccc(Br)c2)n1N=Cc1csc(-c2cccs2)n1 728425090 AXAOLEHBPOEGLI-UHFFFAOYSA-N 448.396 5.064 30 20 IKED CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 728464968 DGTOVHBBDJLOAX-XMMPIXPASA-N 436.515 5.569 30 20 IKED FC(F)(F)c1ccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)cc1 730583745 JZNKHIJPLXOCPR-UHFFFAOYSA-N 447.269 5.354 30 20 IKED COc1cc(C)c(C(=O)/C=C\c2ncc(-c3cccc(Br)c3)[nH]2)cc1OC 731937784 MFHXZFOAPGCBNR-FPLPWBNLSA-N 427.298 5.061 30 20 IKED C#CCN(C(=S)Nc1ccc(C)cc1C)[C@H]1CCOc2ccc(Br)cc21 733087106 OFMXLDYPCUMLMI-IBGZPJMESA-N 429.383 5.222 30 20 IKED CC[C@@H](C#N)Oc1cc(CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])ccc1OC 733302522 YYWKWPPICMADEV-FQEVSTJZSA-N 445.475 5.127 30 20 IKED COc1cc(COC(=O)c2c(C)nn(C(C)(C)C)c2C)ccc1OCc1cccc(C#N)c1 735134679 SEBWVCKJACDNEP-UHFFFAOYSA-N 447.535 5.071 30 20 IKED COc1cc(/C=C2/COC/C(=C\c3ccc(SC)c(OC)c3)C2=O)ccc1SC 741447767 OZDAFFCZKJANON-BUOZRGFLSA-N 428.575 5.214 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN(Cc2ccccc2)Cc2ccccc2C)c1=S 742150571 UKIYFXZJASAWMH-UHFFFAOYSA-N 441.604 5.630 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 743474964 OTLIICJAUDDXDI-IBGZPJMESA-N 442.494 5.024 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@@]12CCc1ccccc12)c1nc(-c2ccc(Cl)cc2Cl)cs1 744036363 ZLPDZPIPZNHXLM-WLENULPWSA-N 439.367 6.197 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 747637401 JIFGOLIXISVBKW-RUZDIDTESA-N 444.556 5.311 30 20 IKED COC(=O)[C@@H]1CCC[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1 751153817 XCEFJDGELIUVFI-LALPHHSUSA-N 437.348 5.273 30 20 IKED N#CCC[C@H](NC(=O)N(Cc1ccccc1)C[C@]1(O)CCc2ccccc21)c1ccccc1 752684841 OUMDFEVFJSBREP-XTEPFMGCSA-N 439.559 5.077 30 20 IKED Cc1cc(F)c(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccccc2)cc1F 753974126 JNOHTRUIHLLLGA-UHFFFAOYSA-O 442.898 5.409 30 20 IKED CN(Cn1nc(COc2ccccc2Cl)n(C2CC2)c1=S)c1ccc(C#N)cc1F 754770535 RNYUBIUPIFROOY-UHFFFAOYSA-N 443.935 5.086 30 20 IKED COC(=O)[C@@H](N[C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1)c1ccc(C#N)cc1 754955158 XTGRGRYPVAZETJ-XCLFUZPHSA-N 425.941 5.209 30 20 IKED CC(C)(C)OC(=O)N1CCc2cccc(/C=C/C(=O)c3ncc(Br)s3)c21 756844927 AHEXSDOXEFMYJL-BQYQJAHWSA-N 435.343 5.099 30 20 IKED C#CCNC(=S)/C(=C(/O)c1ccc(Cl)c(Cl)c1)[n+]1ccc(C(CC)CC)cc1 759052720 YQUSMTLXYYWJJD-UHFFFAOYSA-O 434.412 5.619 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2)CC2(O)CCCC2)cc1 762212974 GOUPAUGFNXVPMM-AREMUKBSSA-N 439.559 5.681 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CC3(CCCC3)c3cccc(F)c32)ccc1OC 764426946 YYCWZIJZORQAOC-SFHVURJKSA-N 437.515 5.057 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc3ccccc3c2OC(F)F)ccc1OC 772979842 NOXSJAVSDFYNLL-LPHOPBHVSA-N 440.490 5.982 30 20 IKED C[C@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cccc(Cl)c1F 775142098 PWNCODGZYMFUAJ-ZDUSSCGKSA-N 443.862 5.120 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)c3c(C)nn(CC(F)(F)F)c3C)n2)cc1 778296858 DCIPYGCFNOERNX-GUYCJALGSA-N 446.498 5.474 30 20 IKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)Nc3ccccc3O[C@@H](C)C#N)cc12 780164115 NTJFBTDSUQTXNJ-ZDUSSCGKSA-N 436.924 5.592 30 20 IKED CC(C)(C)N1C/C(=C/c2scnc2C2CC2)C(=O)/C(=C/c2scnc2C2CC2)C1 782325382 BONOWHKJFURNDN-VAQFQWRASA-N 425.623 5.505 30 20 IKED CCOC(=O)C1C/C(=C\c2ccc3cnccc3c2)C(=O)/C(=C/c2ccc3cnccc3c2)C1 782325903 DGFLFSLXYOWXCS-BKHCZYBLSA-N 448.522 5.792 30 20 IKED Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 782582940 MNRVUPZBZPMISN-NSHDSACASA-N 448.957 5.552 30 20 IKED C#CCC1(C(=O)N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)CCCCC1 788449109 XCCUWJJCHYHWAH-VWLOTQADSA-N 449.639 5.676 30 20 IKED C#CCn1ccc(CN(CC)C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)n1 788611001 WESOZZPJIQZGOV-UHFFFAOYSA-N 442.441 5.381 30 20 IKED N#C[C@H](C(=O)COc1ccc2cc(Br)ccc2c1)c1nccc2ccccc12 792098864 FDZRCSITKBSSIE-OAQYLSRUSA-N 431.289 5.406 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2CCC(c3cccc(Cl)c3)CC2)c1=S 794682566 HXKPUPKGLZHTIG-UHFFFAOYSA-N 425.989 5.153 30 20 IKED Cn1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c2cc(F)ccc21 796631093 GDFBAXFJVMRDPX-LJQANCHMSA-N 427.435 5.071 30 20 IKED N#CC1(CCCOC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)CCOCC1 800104266 YJMPKGVHGCGPTN-UHFFFAOYSA-N 432.545 5.734 30 20 IKED CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 801612806 QUDQHNXQKUIOOH-GJZUVCINSA-N 448.567 5.111 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H](C)c2csc(-c3ccccc3F)n2)ccc1OC 812723644 KGDSKZFHSGGWFI-NVXWUHKLSA-N 425.529 5.490 30 20 IKED N#C[C@H](C(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1cc(C(F)(F)F)ccn1 813212144 YDUNHMRUIOFWOL-HRAATJIYSA-N 448.416 6.088 30 20 IKED C=C(C)CN1C(=O)/C(=C/c2cc(Br)c(OCCC)c(OC)c2)SC1=S 814291830 AFULGXLLNKWPCB-DHDCSXOGSA-N 442.400 5.024 30 20 IKED COc1cc(C(=O)Nc2c(C)c(C#N)nn2-c2ccccc2)cc(Cl)c1OCC(C)C 821635441 BRIIUBBBEYZCOS-UHFFFAOYSA-N 438.915 5.002 30 20 IKED C=CCOc1c(Br)cc(CNc2ccc([C@H](O)C(F)(F)F)cc2)cc1OC 864043569 MDMSLBUBSXIMJF-SFHVURJKSA-N 446.263 5.230 30 20 IKED Cc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@@H](C)c2cc(C)sc2C)c1 914690841 HBGLSZPIAKRWEJ-MGPUTAFESA-N 441.622 5.035 30 20 IKED FC(F)(F)c1nc(NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c2ccccc2n1 914785952 IGJPCSVIHUFKDL-IUCAKERBSA-N 431.302 5.970 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1 915087949 DVZFBYKJMLEKGG-DEOSSOPVSA-N 448.526 5.031 30 20 IKED N#C[C@@H](C(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1nc2cc(C(F)(F)F)ccc2s1 915104293 OOQOOJPHVQHUES-HIFRSBDPSA-N 443.450 5.083 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC2(c3ccccc3)CCOCC2)cc1 915349965 CXFWWJNWEQNTOE-VWLOTQADSA-N 425.532 5.212 30 20 IKED C#CCOc1ccc(Br)cc1CNc1cccc(COCc2ccco2)c1 916842680 WJVHVICLZWDNEC-UHFFFAOYSA-N 426.310 5.383 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc(Cc2ccc(F)cc2)nc1C 916909663 SZNWLCDGAXUTSG-HXUWFJFHSA-N 449.551 5.267 30 20 IKED CCCCOc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1OCC 916928378 KESZLVNTXLSWDV-MRXNPFEDSA-N 449.334 5.532 30 20 IKED N#C[C@@H](C(=O)CCCSc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(Cl)c1 916938811 MDJVUMXILUAAEB-HNNXBMFYSA-N 425.312 5.352 30 20 IKED COc1cccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 916995042 ASJARRFAVRPEIQ-QGZVFWFLSA-N 431.344 5.935 30 20 IKED Cc1ccc(NC(=O)[C@@H](OC(=O)CSCc2ccc(C#N)cc2)c2ccccc2)cc1 917261739 ATRPOYTVLCJIRZ-DEOSSOPVSA-N 430.529 5.023 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc3sccc3s2)n(C2CCCC2)c1C 919630355 YNDHSVPAEACXBO-UHFFFAOYSA-N 427.551 5.163 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 919910438 VAEPQSOCBCIHBY-UHFFFAOYSA-N 439.471 5.883 30 20 IKED CC(C)n1ncc2cc(/C=C3\COc4c(Br)cccc4C3=O)c(Cl)nc21 920066676 IYEVYNVZVXCORD-NTUHNPAUSA-N 432.705 5.087 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(-n4ccnc4O)cc3)cc2Cl)cc1 1291885235 VNTGVJAUWDWBBE-UHFFFAOYSA-N 430.851 5.148 30 20 IKED CSc1nc(O)c(C(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)cc1C#N 1350382256 YJQRZKJFKNLJJA-UHFFFAOYSA-N 447.303 5.127 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCc3cc(F)ccn3)CCC2)cc1 1785840907 MRZLOHDLBCVJQA-UHFFFAOYSA-N 437.559 5.280 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCc3cnccc3C)cc2)CCC1 1786875696 KVTKFUYOEUYIMB-XMMPIXPASA-N 431.580 5.225 30 20 IKED CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)ON=C(C)C)CCC2)cc1)c1ccccc1 1787643997 IINSPBWNERYCKE-AUSIDOKSSA-N 435.568 5.115 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnccc3Cl)CCC2)cc1 1789626246 GQSICFJBMDXUCB-UHFFFAOYSA-N 425.960 5.475 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccccc5o4)CCC3)cc2)c1 1790257247 OAUANNWWCYENKI-UHFFFAOYSA-N 435.483 5.366 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790768006 YITWNGOPZKKELR-UHFFFAOYSA-N 443.881 5.171 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4sccc4F)CCC3)cc2)c1 1792123218 NYRVGNGUXWAKGS-INIZCTEOSA-N 447.535 5.576 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)Cc3ccc4ncccc4c3)CC2)C1 1804859687 JMMQUJZSEJCURP-UHFFFAOYSA-N 447.623 5.001 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(OCC)c2)[nH]n1 1814442133 YUVCOXYYQGICQK-NRFANRHFSA-N 438.572 5.107 30 20 IKED Cc1ccccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1829946709 HYWCJHIIZUSVJY-RLWLMLJZSA-N 443.591 5.169 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1)=C(/S)Nc1ccc(F)c(Cl)c1 10754209 IXPUCLQLFCUXKW-UHFFFAOYSA-O 448.370 6.033 30 20 IKED C=CCn1c(SCc2cc3ccc(SC)cc3nc2Cl)nnc1-c1cccnc1 18405687 HDMCINDPSVPLON-UHFFFAOYSA-N 439.997 5.742 30 20 IKED C=C(C)CN/C(S)=C(/C(=O)c1ccc(Br)cc1)[n+]1ccc(C(C)(C)C)cc1 22797252 QIQDSNLUXAKIEU-UHFFFAOYSA-O 446.434 5.139 30 20 IKED CCn1c(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)nnc1-c1ccc(C(C)(C)C)cc1 60383430 GMOFXSCVJVBCEA-KRWDZBQOSA-N 439.629 5.086 30 20 IKED N#C[C@@H](C(=O)CSc1nc2cc(Cl)ccc2o1)c1nc(-c2ccccc2)cs1 247707148 FZSUEYGIBSJZFC-AWEZNQCLSA-N 425.922 5.573 30 20 IKED C=CCn1c(SCc2csc(COc3ccc(F)cc3)n2)nc2ccccc2c1=O 302766734 LELOXVATMMHYSY-UHFFFAOYSA-N 439.537 5.049 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(S(=O)(=O)C4CCCC4)cc3)cc2)c1 303384863 WYIYHTABANEVCL-UHFFFAOYSA-N 446.528 5.319 30 20 IKED FC(F)C(F)(F)COCc1cccc(N[C@@H]2CCCc3ncc(C(F)(F)F)cc32)c1 427529922 GQGCFKVXSBMXOW-QGZVFWFLSA-N 436.371 6.007 30 20 IKED CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)[C@H](C#N)c1nc2ccccc2o1 430533538 WFYYUIYXQKBGDX-LBPRGKRZSA-N 440.286 6.403 30 20 IKED C=C(C)[C@H](NC(=O)N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1)c1ccc(F)c(F)c1 430915620 DMGBVVMTDAEPHQ-QFIPXVFZSA-N 444.913 5.381 30 20 IKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N[C@H](CCCC#N)c1ccccc1 432653608 BQWANIPJEZYRDA-HSZRJFAPSA-N 426.520 5.804 30 20 IKED N#Cc1cccc(CS(=O)(=O)Cc2ccc(Oc3cccc(Cl)c3Cl)cc2)c1 437228910 RKGSSKRVGASWRE-UHFFFAOYSA-N 432.328 5.772 30 20 IKED CCCc1c(NC(=O)N2CCC[C@H]2Cc2ccc(F)cc2)cnn1-c1cccc(C#N)c1 439666661 IGTVPYNNWWWNHG-NRFANRHFSA-N 431.515 5.075 30 20 IKED Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N(C)c3ccc(C#N)cc3)c12 439947218 ZFXUJTZUDMHZGB-UHFFFAOYSA-N 436.393 5.365 30 20 IKED C=CCC[C@H](NC(=O)N1CCC[C@@H](CNC(=O)CCC)C1)c1ccc(C(F)(F)F)cc1 442288644 DOZLJDSVLUTRHF-PXNSSMCTSA-N 439.522 5.051 30 20 IKED COc1ccc(C2(NCc3cccc(OCc4ccccc4C#N)c3)CCOCC2)cc1F 444033731 OKVOIWRZXAYORS-UHFFFAOYSA-N 446.522 5.080 30 20 IKED CCCCNc1ccc(C(F)(F)F)cc1NC(=O)CCc1c(C)nc(O)c(C#N)c1C 461558478 PAGNMKQJHQUALT-UHFFFAOYSA-N 434.462 5.078 30 20 IKED C[C@H](C(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1)c1cccc(C#N)c1 462066159 GALWPXJRQAPNAF-KRWDZBQOSA-N 442.494 5.030 30 20 IKED Cc1noc(CCCC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)n1 464291703 BWJCTZQFTSMBRF-UHFFFAOYSA-N 430.386 5.022 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CC[C@H](CSc4ccccc4)C3)c2)cc1 464323902 JJYXRKNOBHVGPL-QFIPXVFZSA-N 428.557 5.392 30 20 IKED C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)CCC(=O)N(CCC#N)c1ccccc1 464388165 VPMKIPLAMGCQTQ-JOCHJYFZSA-N 439.559 5.600 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1C 465464110 DCROQWGJSLAQNW-MJGOQNOKSA-N 432.490 5.179 30 20 IKED Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1 465886619 FUYSMDHFXCAQNR-GDDLFDBWSA-N 447.579 5.024 30 20 IKED C[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)Oc1ccc(F)cc1 466191756 GWNBWRYWOHCGQT-GOSISDBHSA-N 435.474 5.016 30 20 IKED CC[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nc(C(F)(F)F)cs1 466685359 GGJPKLICHVMFLT-INIZCTEOSA-N 446.454 6.099 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)cc1 468110235 NNTCSPRXSOMNHQ-UHFFFAOYSA-N 444.878 5.625 30 20 IKED C=CCN(C(=O)c1ccc(Cl)c(C)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 469363081 VDZUHWGXUOCJGB-UHFFFAOYSA-N 446.981 5.008 30 20 IKED COc1ccccc1[C@H](CC(C)C)NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470549308 MKLLLSNWZLSONF-QFIPXVFZSA-N 448.567 5.187 30 20 IKED CCc1cnc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)s1 475595029 INMNJXWCWSZLKT-UHFFFAOYSA-N 440.956 5.473 30 20 IKED N#CC[C@H](CC(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccccc1 476986897 SJIPXKPLRPKCEJ-OFNKIYASSA-N 448.364 5.332 30 20 IKED Cc1ccc(I)cc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 477113306 SNMRIIARFKQUTP-LBPRGKRZSA-N 436.318 5.104 30 20 IKED C=CCc1cc(CNC(=O)N(CC(C)C)[C@H]2CCCc3cccnc32)cc(OC)c1OC 482937031 MXJLWZLFOQDNIJ-QFIPXVFZSA-N 437.584 5.073 30 20 IKED CCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1SC[C@H](C)C#N 483481352 XWTCBSIOVSHDFW-CQSZACIVSA-N 425.941 6.061 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CC=C(c4c[nH]c5cc(F)ccc45)CC3)c2)cc1 484685129 WMUWDVKMKHTQLG-UHFFFAOYSA-N 437.474 5.900 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(-c3cc4ccccc4o3)o2)c1C 484744327 XYXRAYAVAZJCHY-UHFFFAOYSA-N 432.505 5.139 30 20 IKED CCCCn1ncc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1C(C)C 485162817 VPVKHRNXIMOGLI-UHFFFAOYSA-N 447.558 6.052 30 20 IKED CCc1c(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cnn1-c1ccc(Cl)cc1 485312655 RBRHCEUIFDGVEO-REWPJTCUSA-N 433.943 5.392 30 20 IKED C[C@H](SCc1ccccc1C(C)(C)C#N)c1nc(O)c2c(-c3ccco3)csc2n1 486766204 ANTFCUUOVCBYRZ-AWEZNQCLSA-N 435.574 6.452 30 20 IKED Cc1ccc(-n2cnc3c2CCN(C(=O)Nc2ccc(Oc4ccc(C#N)cc4)cc2)C3)cc1 486957581 MNMXNKZSRPISRJ-UHFFFAOYSA-N 449.514 5.435 30 20 IKED C[C@@H](Sc1nc(C(F)(F)F)ccc1C#N)C(=O)N(c1nccs1)C1CCCCC1 488736804 RBLJEUFLOLZTJB-GFCCVEGCSA-N 440.516 5.275 30 20 IKED C[C@@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)Cc1cc(F)c(C(F)(F)F)cc1F 488894691 JXLBKFUNNCQNAU-VIFPVBQESA-N 448.331 5.558 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NCc3ccccc3CN3CCCCCC3)cc2)nc1 493950734 SAPFHDYMDABROV-UHFFFAOYSA-N 440.547 5.052 30 20 IKED C=CCN(C(=O)c1ccc(CSc2ccccc2)cc1)c1nc(C(=O)OCC)cs1 501939872 QPMGYQVYGMPVSI-UHFFFAOYSA-N 438.574 5.445 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccccc2CN(C)C2CCCCC2)cc1 502679683 MLHMDEMKBWQGAD-UHFFFAOYSA-N 435.572 5.403 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCc2cc(F)cc(C)c2C1 503070478 GZMDVNOGPQAHHR-UHFFFAOYSA-N 429.495 5.483 30 20 IKED C[C@H](Nc1ccc(NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1)c1ccccc1 503221014 BDYZMOVCKVWULC-MOPGFXCFSA-N 430.577 6.755 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1c(F)cccc1F)C(F)(F)F 506292463 MTYFZPKBLGHUNN-BLVKFPJESA-N 443.441 5.191 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 508740643 QZPOIUQAFZRRDX-GOSISDBHSA-N 447.514 5.016 30 20 IKED Cc1nn(-c2ccccc2)c2sc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cc12 509581960 FMSBUHKOKGFAAI-MRXNPFEDSA-N 426.423 5.299 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3ccc(C(F)(F)F)cc3)c2)c1 511454670 CVFZMTMHPKEZKC-UHFFFAOYSA-N 438.409 5.151 30 20 IKED CN1CCC[C@@H](CNC(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1ccc(C(F)(F)F)cc1 512744887 SUQLBKVAIGDZRQ-JXFKEZNVSA-N 435.877 5.043 30 20 IKED Cc1nc(-c2ccccc2)sc1C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 513676330 CNXZTFFZABXMPJ-HNNXBMFYSA-N 446.557 5.198 30 20 IKED C=CCN(C(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514301790 SBUQKKRZOUINRD-UHFFFAOYSA-N 434.304 5.858 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cnc4ccccc4c3C(F)(F)F)s2)cc1 514367630 IBTITURMJNBXIY-UHFFFAOYSA-N 438.434 5.425 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(Br)cc1Cl 518130562 ZUZGENZIHPRQTC-GFCCVEGCSA-N 439.762 5.514 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCC2 518402209 KAOYFRZVKKLESB-CQSZACIVSA-N 445.569 5.791 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(OCc2ccccn2)cc1 519451190 STMZJMCKLHURLG-GOSISDBHSA-N 432.549 5.234 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccccc1 519509901 ZZGNOBZSGZEDLG-UHFFFAOYSA-N 438.487 5.016 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)CCCCOc1ccc(Br)cc1 520861779 CVHYPAKFYKPBHS-UHFFFAOYSA-N 429.358 5.309 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc(-c3ccco3)nc21 521326780 GTYCZJRCVRZGHN-INIZCTEOSA-N 445.548 5.919 30 20 IKED N#C[C@H](NC(=O)c1[nH]c2ccc(F)cc2c1Cl)c1ccc(OCc2ccccc2)cc1 521500577 OFMJOFZPVCINGV-NRFANRHFSA-N 433.870 5.534 30 20 IKED C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccccc3SCCC#N)cc2[N+](=O)[O-])C1 521717011 PZFVEAXKSOWNMJ-IRXDYDNUSA-N 438.553 5.335 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)NCc2ccc(COCc3ccccc3)cc2)c1 524435387 QYUFWWAPHSBEIQ-UHFFFAOYSA-N 437.446 5.198 30 20 IKED C[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cc(F)c(Cl)cc1Cl 537040973 HFLHGAGTPDMWCP-OLZOCXBDSA-N 440.371 5.816 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)c3cnn(C(C)C)c3n2)cc1 537447512 XMOBEACICSXVHW-HXUWFJFHSA-N 448.530 5.364 30 20 IKED O=C(c1cnoc1-c1ccc(F)cc1Cl)N1CCC(C(F)(F)F)(C(F)(F)F)C1 538333382 XGECHPJYQFWQPS-UHFFFAOYSA-N 430.707 5.091 30 20 IKED Cc1ccc(NC(=O)C[C@@H](C)NC2CCC(Oc3ccccc3C#N)CC2)c(Cl)c1 540180291 QSZWSKIZVCZCSE-QHGAOEGBSA-N 425.960 5.217 30 20 IKED Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 542349726 KNXVFCVJWUQIAD-IBGZPJMESA-N 430.552 5.078 30 20 IKED O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1cc(F)c(F)c(O)c1F 543587866 OUUUSHRQHOISBV-UHFFFAOYSA-N 446.278 5.407 30 20 IKED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 555249071 FFMXIDXUQRENCJ-HNNXBMFYSA-N 433.959 5.015 30 20 IKED N#CCCN(C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1ccc(F)cc1 558137558 CFVWCCAHEDDUEN-UHFFFAOYSA-N 435.524 5.409 30 20 IKED Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N[C@H](CCCC#N)c2ccccc2)c1 560281795 IBVUMAZDWVNCBV-QGZVFWFLSA-N 449.498 5.139 30 20 IKED Cc1csc(Sc2ccc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)c(C)c2)n1 564673484 SCABPYVCGVUEOW-UHFFFAOYSA-N 434.468 5.449 30 20 IKED CCO[C@H](c1noc(-c2ncsc2C(F)(F)F)n1)c1ccc(F)cc1C(F)(F)F 571005986 WOHNQDGQUQPRHA-NSHDSACASA-N 441.328 5.496 30 20 IKED O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1cnc2ccccc2c1C(F)(F)F 591222882 JEFANCXULBPDTI-UHFFFAOYSA-N 447.310 5.180 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@@H]21 594657611 HFHAZCZVCBTVCN-KERJZVRCSA-N 447.582 5.208 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 603619205 PMFIYTZSPNIYKQ-UHFFFAOYSA-N 429.495 5.248 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3SCc3cscn3)cc2)cc1 604456750 ZBEGYGHMVSCTHE-UHFFFAOYSA-N 443.553 6.352 30 20 IKED C=CCn1c(S[C@H]2CCCN(c3ccc(F)cc3C)C2=O)nnc1-c1ccccc1F 604930407 HGDMLFXLKOFQFO-FQEVSTJZSA-N 440.519 5.005 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCc4sccc4[C@@H]3c3cccs3)o2)cc1 609055287 BCKFXTXEFJIGGU-HSZRJFAPSA-N 446.553 5.641 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(Cl)c4c(c3)OCCCO4)cc2)c1 609064840 LTVMJPXKOMASFG-UHFFFAOYSA-N 434.879 5.204 30 20 IKED COc1ccc(CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C2CC2)cc1 609078759 MTTKRPSPDWCGHD-UHFFFAOYSA-N 441.531 5.651 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCO[C@H](c2ccccc2F)C1 609079679 IHWUPZOLOWGBFO-VWLOTQADSA-N 445.494 5.190 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(Br)cc3F)cc2)cc1 609496955 CQRIPCGDSWBXSS-UHFFFAOYSA-N 425.257 5.699 30 20 IKED CC(C)NC(=O)Nc1ccc(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 609500619 BRUKXAQSURKYNL-UHFFFAOYSA-N 442.519 5.005 30 20 IKED CCN(C(=O)c1cc2ccccc2n1CC#N)[C@H](c1ccc(Cl)cc1)c1ccccn1 609580157 VHPDIQOZICJHDO-XMMPIXPASA-N 428.923 5.465 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)c2)cc1 609662915 DJBLNDBSVREQDX-JOCHJYFZSA-N 436.298 5.439 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)c1C 610054067 MNNYISBQHGJWHW-UHFFFAOYSA-N 426.451 5.545 30 20 IKED O=C(COc1ccc(C(F)(F)F)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 611829155 KKPOYLRXFOXWJQ-GDNZZTSVSA-N 437.302 5.110 30 20 IKED C=CCn1c(SCC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)nnc1-c1ccco1 614012706 SWDXRRIHIYURHE-UHFFFAOYSA-N 436.581 5.131 30 20 IKED CC[C@@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C(C)(C)C#N)cc1 614159653 MMFHCDVGZGPTSX-QGZVFWFLSA-N 431.502 5.746 30 20 IKED CC1CCN(c2nnc(S[C@@H](C#N)c3ccc(Cl)cc3)n2Cc2ccco2)CC1 619864011 YZYVPGPSQKYSSF-IBGZPJMESA-N 427.961 5.166 30 20 IKED C=C(C)Cn1c(-c2ccccc2OC)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 670227878 QKIMPKCBLRKGRS-QPPBQGQZSA-N 432.568 5.134 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1C(F)F 676144165 FAPULOFQIRURAM-UHFFFAOYSA-N 433.711 5.367 30 20 IKED N#C[C@H](C(=O)c1cccc(OCC(F)(F)F)c1)c1nc2cc(C(F)(F)F)ccc2s1 676242508 WHBUZFUHSYXUSS-CYBMUJFWSA-N 444.356 5.746 30 20 IKED O=C(Cc1cccc(OC(F)(F)F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 676633907 JLOGQCDKAVTXOR-GDNZZTSVSA-N 437.302 5.153 30 20 IKED COc1ccc(C(=O)/C=C\c2c(C)nn(-c3cccc(Cl)c3)c2Cl)cc1NC(C)=O 726428260 ITJQPWMGALPKFE-HJWRWDBZSA-N 444.318 5.351 30 20 IKED COc1ccc(C(=O)/C=C\c2ccc(OCc3ccccc3)c(OC)c2)cc1NC(C)=O 726429669 VGCMCRRSLAYBDA-XFXZXTDPSA-N 431.488 5.137 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN(C)Cc2ccc(C)s2)c1=S 728048356 MHTZZZMMLGNYQI-UHFFFAOYSA-N 435.018 5.292 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 728062091 DEVJXWUAXCCHDU-INIZCTEOSA-N 430.895 5.101 30 20 IKED C[C@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)N1CCC[C@@H]1c1cccs1 728669282 NPHSWPJZQNNAPA-HTAPYJJXSA-N 446.528 5.321 30 20 IKED Cc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)c(Cl)cc12 730949497 WIPKIGMHWYEDNN-AWEZNQCLSA-N 442.924 5.167 30 20 IKED CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 731459714 JKAFNBSCLOHIPB-OAQYLSRUSA-N 438.936 5.041 30 20 IKED N#Cc1cccc(COc2cccc(/C=C3/SC(=S)N(C(C4CC4)C4CC4)C3=O)c2)c1 734880018 GPGNCXFVKPCJAW-LPYMAVHISA-N 446.597 5.527 30 20 IKED Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C\c1cnc2ccc(C#N)cn12 736434496 ULAUQKBNFAIOPR-FPLPWBNLSA-N 449.333 5.297 30 20 IKED C=CCN(Cc1cccc(C#N)c1)Cc1c(O)ccc2c(=O)c(-c3ccccc3)c(C)oc12 745161766 BEKLGMCFMLZVRR-UHFFFAOYSA-N 436.511 5.534 30 20 IKED COc1cc(COC(=O)c2cnc3ccsc3c2)ccc1OCc1cccc(C#N)c1 745405249 URDFSGFQOYGSIJ-UHFFFAOYSA-N 430.485 5.113 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(Oc2ccccc2)ccn1 745763647 VWLJZGOHBQVRTB-QGZVFWFLSA-N 447.516 5.064 30 20 IKED C=CCN(C(=O)c1ccc(CC)c([N+](=O)[O-])c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 746505437 AAJRXYKZUWCLCK-UHFFFAOYSA-N 438.465 5.022 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(-c2cccnc2)cc1 747536272 AQNZMAKEUDSAFM-HRFSGMKKSA-N 432.527 6.287 30 20 IKED CCN(C[C@H](O)c1ccc(C)cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 748936530 KGUSXNGYRHGBLL-SANMLTNESA-N 443.547 5.228 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)cc1C#N 752304182 GVCTVGRMPCEFET-IBGZPJMESA-N 446.429 5.514 30 20 IKED C[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1nc(C2CCCCC2)no1 752995009 CWPSEMWQYAPMBS-HNNXBMFYSA-N 435.553 5.278 30 20 IKED CC(C)(C)OC(=O)N1CCc2c(NCc3cn(CCC#N)nc3-c3ccccc3)cccc21 754046397 NAGZDCZRGREJPO-UHFFFAOYSA-N 443.551 5.373 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 756518189 VZAYBIJOSQDNQS-SFHVURJKSA-N 433.533 5.576 30 20 IKED C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 760200602 KODAEKHTFWTCDW-WFASDCNBSA-N 444.890 5.827 30 20 IKED C#CCC(C)(C)COC(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 760274727 ZVOOTNZRFUMOTD-HNNXBMFYSA-N 440.590 5.278 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)Cc2cccc(OCC#N)c2)nc1-c1ccccc1 760587534 LAMUFWOULDWDHG-QFIPXVFZSA-N 429.520 5.274 30 20 IKED CC1(C)CCCN(C(=O)CCCCCCCCC(=O)N2CCCC(C)(C)[C@@H]2C#N)[C@H]1C#N 765119591 KAFKNKYKKBRLFF-VXKWHMMOSA-N 442.648 5.189 30 20 IKED CC(C)(C)OC(=O)N1CCC(CCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)CC1 765916647 VGQYFSWOWWLPCG-INIZCTEOSA-N 446.498 5.035 30 20 IKED Cc1cc(CSc2ccccc2C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)on1 768137654 SAKZHLQIWMVXCL-QGZVFWFLSA-N 432.332 5.577 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)C1 769787166 PBBVFZRSKYNNBT-YADHBBJMSA-N 433.596 5.121 30 20 IKED CCCCCn1cc(C(=O)[C@H](C#N)C(=O)Nc2c(CC)cccc2CC)c2ccccc21 777301518 FSFOAECJDKACDQ-QFIPXVFZSA-N 429.564 5.917 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3ccccc3O[C@@H](C)C#N)cc(-c3cccs3)nc21 780150171 UJMNCHGQVSCBIR-HNNXBMFYSA-N 431.521 5.284 30 20 IKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)Nc1ccccc1O[C@H](C)C#N 780495696 AZTPTUIVELDHCR-QGZVFWFLSA-N 429.480 5.574 30 20 IKED Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)Nc1ccccc1O[C@H](C)C#N 780672328 BKRGHTDFIKCAKP-QAPCUYQASA-N 429.952 5.161 30 20 IKED CCOC(=O)N1C/C(=C/c2ccc3cnccc3c2)C(=O)/C(=C\c2ccc3cnccc3c2)C1 782303132 VZFAHOBIWLBQDA-WFBNZKAHSA-N 449.510 5.291 30 20 IKED N#Cc1ccc(CNC(=O)c2cc(C(F)(F)F)ccc2Sc2cccc(F)c2)nc1 782734144 WUDSCLNOVSWZFM-UHFFFAOYSA-N 431.414 5.192 30 20 IKED Cc1oc2ccccc2c1CC(=O)[C@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 787054385 UTTXHNQILLZTPL-XIKOKIGWSA-N 429.303 5.177 30 20 IKED N#CCCn1cc(/C=C2\CCc3c(Cl)sc(Cl)c3C2=O)c(-c2ccncc2)n1 788355015 KUZKLXQQWOIFAE-JLHYYAGUSA-N 429.332 5.440 30 20 IKED C[C@H](c1ccccn1)N(C(=O)c1cc(-c2cccc(C#N)c2)no1)c1ccc(N(C)C)cc1 790967665 GZMUJTSPPLDEHS-GOSISDBHSA-N 437.503 5.082 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(N3CCCCC3)c3ncccc23)c1 791944912 LXESLSHGQXBMSR-HXUWFJFHSA-N 443.551 5.228 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1nccc2ccccc12 792093035 GXQLHXMLAXZYGQ-PXNSSMCTSA-N 438.314 5.023 30 20 IKED CCc1ccc(N(C(C)=O)c2nc(COC(=O)C[C@H](CC#N)c3ccccc3)cs2)cc1 795990145 LGJIIQLEMGEDKD-NRFANRHFSA-N 447.560 5.521 30 20 IKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)O[C@@H](C)C(=O)Nc1ccccc1C#N 800375143 YKTAFQYWSHXKPY-IBGZPJMESA-N 449.510 5.195 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3(C)CCN(Cc4ccccc4)CC3)n2)cc1 805855277 JTPJVDUQNVGEMN-QFIPXVFZSA-N 429.589 5.597 30 20 IKED N#C[C@H](C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1cc(C(F)(F)F)ccn1 813214960 GHWCPSBKNBYWDV-UGPGAHAHSA-N 427.264 5.011 30 20 IKED CC(C)(C)OC(=O)N1CCc2cc(NC(=O)N[C@H](CCCC#N)c3ccccc3)ccc21 814630623 VHVDGNZCPIKPAP-OAQYLSRUSA-N 434.540 5.541 30 20 IKED C[C@@H](Cc1cnc2ccccc2n1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 815911161 TULXMOSYOQRBKE-KBXCAEBGSA-N 432.936 5.462 30 20 IKED N#Cc1c(Br)cccc1OCc1nc(-c2c(Cl)cccc2Cl)no1 904308681 PTEZULDDYVBMEH-UHFFFAOYSA-N 425.069 5.257 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1nc2ccccc2s1 915099419 VERXUGSPRGOOCM-NQIIRXRSSA-N 439.540 5.178 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CCC[C@H](c3nc4ccccc4s3)C2)c1=S 915833611 BHSJLVDJGQAETG-SFHVURJKSA-N 448.621 5.109 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNC(=S)Nc2ccccc2C)cs1 915920732 IPRDWVJZCKWIQA-UHFFFAOYSA-N 443.985 5.110 30 20 IKED COc1cc(C=NN2C(=O)c3cccc4cccc(c34)C2=O)ccc1OCc1ccccc1 916305962 DRKWZJYCWGAAKC-UHFFFAOYSA-N 436.467 5.058 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 916888133 RXMSRHTXXLKVNT-AWEZNQCLSA-N 446.866 5.006 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)CCN2c3ccccc3Sc3ccccc32)c1 916896920 QUVPHSXGEZNKAN-IBGZPJMESA-N 427.529 5.335 30 20 IKED N#C[C@@H](C(=O)CCN1c2ccccc2Sc2ccccc21)C(=O)Nc1ccccc1Cl 916909091 JWOGOJULFPIUCY-INIZCTEOSA-N 447.947 5.680 30 20 IKED N#C[C@@H](C(=O)CSc1cc(Cl)ccc1Cl)C(=O)Nc1cccc2ccccc12 916916329 RVXLRVRKHSEAGU-INIZCTEOSA-N 429.328 5.586 30 20 IKED C[C@H]1CCc2[nH]c3ccc(C(=O)[C@H](C#N)C(=O)Nc4ccc(Cl)cc4Cl)cc3c2C1 916928709 ROXSDBDXTSLEMT-SJCJKPOMSA-N 440.330 5.561 30 20 IKED N#Cc1ccc(CSCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917042586 CXZZKULTOHAPNS-OAHLLOKOSA-N 431.464 5.296 30 20 IKED N#CCc1ccc(OCc2cccc(NS(=O)(=O)/C=C\c3ccc(Cl)cc3)c2)cc1 917749024 HMCOLMZEQRCJRX-SQFISAMPSA-N 438.936 5.398 30 20 IKED Cc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cs2)cc1 920140192 CNEZLYQIUZYSTC-HXUWFJFHSA-N 440.553 5.533 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)n1Cc1ccccc1 920140292 AUMXSDIICBEIMM-HSZRJFAPSA-N 436.540 5.639 30 20 IKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc5occc5c4)CCC3)cc2)cc1 1785881518 BOFOXBNVDNIQGY-UHFFFAOYSA-N 449.510 5.295 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4c(Cl)cccc34)CCC2)cc1 1785935911 BVSKEFWWIKBDRV-UHFFFAOYSA-N 434.927 5.119 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)Cc3cc4ccccc4n3C)cc2)CCC1 1786035900 YFGQPSMADUFUOU-UHFFFAOYSA-N 441.575 5.049 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Cc3ccccn3)cc2)CCC1 1791764138 FACNUAXDSXPKLW-FQEVSTJZSA-N 431.580 5.163 30 20 IKED Cc1ccoc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792123458 CJUSRJNCEQXNPJ-GOSISDBHSA-N 427.504 5.277 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1cccc(C)c1)C2 1798593022 FDOGZDJESGRERB-NUNAXRQHSA-N 445.607 5.301 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)cc(C)c2)[C@H]1c1cccnc1 1810501642 CDDJAMTWSIZIPJ-VWNXMTODSA-N 433.596 5.010 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCc3ccccc32)[nH]n1 1819557059 VGYVRVADRPRNMX-IFMALSPDSA-N 434.584 5.124 30 20 IKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2C)CC1)C(F)(F)F 1823912092 GBAGPYPUDSNQLL-IBGZPJMESA-N 442.909 5.000 30 20 IKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829907918 SOCRQHRIXPQWPR-XMMPIXPASA-N 432.564 5.288 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC)cc2F)CC1 1830515518 MTVNHYGQFVZTGJ-QHCPKHFHSA-N 444.591 5.060 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3sc(C)nc3c2)CC1 1831369995 JGSJPJFIHTZWHX-VGOFRKELSA-N 439.625 5.050 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3occ(Cl)c3c2)CC1 1831375166 OASKADOORMIYBD-JTSKRJEESA-N 442.987 5.532 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2cccc(O)c2)cc1C 11257327 NFGSKUOTWYCOPZ-UHFFFAOYSA-O 425.961 5.309 30 20 IKED Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3C#N)c3ccccc3n2)cc1 11397628 REVOOFLFKZALDC-SFHVURJKSA-N 435.483 5.266 30 20 IKED C=CCN(C(=O)CCc1nc(-c2ccc(OC)cc2)no1)c1nc(-c2ccccc2)cs1 14055291 UPSVPTAUGPYWLX-UHFFFAOYSA-N 446.532 5.021 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(COc2cccc(F)c2)c1 63391161 ASWAQXPHMVHOFT-UHFFFAOYSA-N 435.455 5.533 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1ccc(C#N)c(Cl)c1 71971072 PGTAAVPANIJFDB-UHFFFAOYSA-N 448.306 5.879 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1c(C)nn(-c2ccc(C)c(Cl)c2)c1C 107793224 HPUXAMCSWGNKBA-UHFFFAOYSA-N 434.971 5.304 30 20 IKED C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c2)C1 195729918 RHWUCZMFXKAGAB-RLWLMLJZSA-N 448.611 5.249 30 20 IKED COc1cc([C@H](C)Nc2ccc(C#N)cc2Br)ccc1OCc1ccncc1 301895017 XNWYOUPXNUZYPJ-HNNXBMFYSA-N 438.325 5.476 30 20 IKED Cc1cc(F)ccc1-c1ccc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1F 303686345 OAPVSMNKLFICOQ-UHFFFAOYSA-N 432.470 5.496 30 20 IKED Cc1ccc(-c2c[nH]cc2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)s1 426633407 FWYRFWWQCKQUFN-UHFFFAOYSA-N 437.575 5.319 30 20 IKED CC(C)(C#N)c1ccccc1Cn1c(=O)c(C(F)(F)F)nc2ccc(C(F)(F)F)cc21 427274929 RAGSALBIZIDTFM-UHFFFAOYSA-N 439.359 5.284 30 20 IKED CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccccc1Sc1ccccc1C#N 427910610 GXIRWSSECUFNSV-UHFFFAOYSA-N 445.544 5.062 30 20 IKED CC(C)(c1ccc(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2F)cc1)C(F)(F)F 429978587 XBBIXIYWJBUUBD-UHFFFAOYSA-N 436.327 5.262 30 20 IKED COc1ccccc1-c1noc(C2CCN(c3cc(C#N)ccc3C(F)(F)F)CC2)n1 432868878 TWLUVHRNEABZKI-UHFFFAOYSA-N 428.414 5.020 30 20 IKED Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1NC(=O)c1ccccc1F 436352695 NZCZLUXIYLERJW-WIOPSUGQSA-N 441.506 5.298 30 20 IKED CCN(C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O)[C@H](C)c1ccc(C#N)cc1 436546451 OSSSTPYVULWFSF-OAHLLOKOSA-N 449.457 5.018 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C1CC1)[C@H](C)c1cccc(C(F)(F)F)c1 438039672 FZGSKICBCQQXIX-JKSUJKDBSA-N 447.526 6.857 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H](C)Oc1ccc(Br)cc1 438076686 SMAOLALASMTFFG-GJZGRUSLSA-N 448.386 5.290 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)N[C@@H](CCC#N)c2ccccc2)nc1-c1ccccc1 440244960 PLRZNWWLLQUNBS-XZOQPEGZSA-N 442.563 6.357 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccc2c(c1)NC(=O)CS2)c1ccc(C(F)(F)F)cc1 442224442 HWEBZLLIFJUZTQ-INIZCTEOSA-N 435.471 5.579 30 20 IKED COc1cccc(NCc2nnc(S[C@H](C)c3cccc(C#N)c3)n2C2CCCCC2)c1 442899555 GHXQVSRKXJUSTJ-GOSISDBHSA-N 447.608 6.129 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@H]3CC(=O)c3cccs3)c2)cc1 443671100 AOHBNMRXZKXVSC-NRFANRHFSA-N 430.529 5.076 30 20 IKED CN(C)CCN(Cc1ccco1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 446841322 OKLYFERDRRXQJX-JOCHJYFZSA-N 436.943 5.184 30 20 IKED N#Cc1ccccc1Cn1cccc1CNc1ccc(C(=O)NCc2ccc(F)cc2)cc1 446889914 DJPDLCDWXPJEGC-UHFFFAOYSA-N 438.506 5.089 30 20 IKED N#Cc1cccc(-c2nnc(N3CCCC[C@H]3c3ccccc3)n2C[C@@H]2CCCCO2)c1 461854619 ROIOZFSEZBAEOX-ZEQRLZLVSA-N 427.552 5.117 30 20 IKED O=C(CCC(F)(F)F)Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1 463753705 MLBXGFBCXJXTDN-UHFFFAOYSA-N 432.317 5.294 30 20 IKED C[C@@H]1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCN1Cc1ccccc1 464912181 UMKNDOXKNJNKAD-OAQYLSRUSA-N 425.532 5.087 30 20 IKED C[C@H](O)C[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 469512687 VEOOKVXYMVYKQT-SNYIIPAISA-N 447.966 5.672 30 20 IKED CC(=O)Nc1ccc(C(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1F 469834713 QFSCZZHLGNQQKV-MRXNPFEDSA-N 436.327 5.226 30 20 IKED Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)o1 470537122 IRRGJTNJWOKABL-JOCHJYFZSA-N 434.540 5.320 30 20 IKED CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470566800 YXXXGZNQFFJABR-NVQXNPDNSA-N 444.579 5.351 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1nc(SCc2ccccc2)ns1 476499497 LJTLEZQKUHPZLK-RTBURBONSA-N 435.578 5.134 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(Br)ccc1N1CCCC1 479325102 SMUJNVMZSURKIF-UHFFFAOYSA-N 439.357 5.141 30 20 IKED N#CCCN(C(=O)CNc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1ccccc1 480148466 MOKHOVASMYYYLF-UHFFFAOYSA-N 430.455 5.188 30 20 IKED C[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1cccc(NC(=O)c2ccccc2)c1 480376735 JBGRCSFNVYYDCP-FQEVSTJZSA-N 445.522 5.969 30 20 IKED CCn1c(NC(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)nc2cc(C#N)ccc21 485648762 RRDOKLJDPQEWTP-UHFFFAOYSA-N 432.915 5.143 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1scc(C)c1Br 485788244 RXXNZEWLHHJMSA-UHFFFAOYSA-N 427.323 6.044 30 20 IKED C=CCSc1ccccc1C(=O)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1 486123489 DPCUSTZITLFZQT-OAHLLOKOSA-N 446.498 5.046 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NCCc3coc(-c4ccc(F)cc4)n3)c2)cc1 486581924 ALAFNPLKGMULAE-UHFFFAOYSA-N 427.435 5.117 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2occc2CN2C(=O)Cc3ccccc32)cc1 486987421 WWJDNGWYECTGSR-UHFFFAOYSA-N 449.466 5.285 30 20 IKED N#Cc1ccc(NC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1Br 487880342 MKZHPMDOPJPQAJ-MRXNPFEDSA-N 427.327 5.299 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)nnc1-c1cccs1 489407534 QGBMSBMNLQZBQQ-JTQLQIEISA-N 440.381 5.014 30 20 IKED CCN(C(=O)c1sccc1C#N)[C@H](c1ccc(Br)cc1)c1cccnc1 496448994 PZUGLPVZVAIWSU-GOSISDBHSA-N 426.339 5.029 30 20 IKED N#Cc1cccc(C2(NC(=O)N[C@H]3CCCc4sc(-c5ccc(F)cc5)nc43)CC2)c1 502172118 UMMHJZPDJOFLGE-IBGZPJMESA-N 432.524 5.187 30 20 IKED Cc1ccc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)cc1NC(=O)NC(C)(C)C 502416151 OILKXDWWQSJFEH-UHFFFAOYSA-N 433.537 5.163 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3C[C@@H]3c3cccc4ccccc34)s2)cc1 503073116 LZHKGPXKAFQSSR-RTWAWAEBSA-N 442.569 5.597 30 20 IKED CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N 503274270 HGWAAQBDFYDAMI-HRAATJIYSA-N 444.000 5.386 30 20 IKED N#C[C@@H](NC(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1c(Cl)cccc1Cl 505546571 HMYJZFOXTYOXFL-QGZVFWFLSA-N 434.323 5.103 30 20 IKED CCOc1ccc([C@@H]2CCCN2C(=O)CSc2nc(-c3ccccc3)ccc2C#N)cc1 510218454 RDIUHLYHYKCSCB-DEOSSOPVSA-N 443.572 5.475 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(OCc3ccccc3)CC2)cc1 510658126 MZBQAQQIBCRRGO-UHFFFAOYSA-N 427.504 5.564 30 20 IKED N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)n1 512106739 ADHQVYBHKUDWPM-CVEARBPZSA-N 443.507 5.181 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc12 513681605 FZATWQKHEGASRT-MRXNPFEDSA-N 448.960 6.149 30 20 IKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 514514617 JAINXFPMXLJGPZ-UHFFFAOYSA-N 437.931 5.635 30 20 IKED N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c(C(F)(F)F)c1 515709449 RUNFTLXXJCRMHN-MRXNPFEDSA-N 449.281 5.410 30 20 IKED C=CCN(C(=O)Cc1csc2ccccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 517304711 TYXBKKCOHBQCRL-UHFFFAOYSA-N 435.530 5.695 30 20 IKED COc1ccc([N+](=O)[O-])c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 518669851 NOMGSOFVXNNZOJ-CQSZACIVSA-N 448.287 5.524 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)c2)cc1 519195893 UMCFWNFBWNQKII-FQEVSTJZSA-N 440.503 5.233 30 20 IKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 521812882 LGSPJKPLVQGMEG-CABCVRRESA-N 449.498 5.258 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H](C)c2ccc(C(F)(F)F)cc2)cc1 521839686 AZUMOJWRTLIHFJ-QGZVFWFLSA-N 445.485 5.745 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc([C@@H](C)Sc4ccccc4)cc3)CC2)o1 530300343 YJJCIKGECGVXHR-QGZVFWFLSA-N 446.576 5.563 30 20 IKED Cc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(Br)c1 534352704 GFIXUUOOEHQLJS-UHFFFAOYSA-N 435.321 5.655 30 20 IKED CN1CCC([C@H]2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)C2)CC1 534476879 CIUQHHRGSZTYIN-IBGZPJMESA-N 438.959 5.200 30 20 IKED C[C@H](N[C@H](CCC#N)c1ccccc1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 537951251 FMMQQWXTSQWWGN-NBGIEHNGSA-N 439.625 5.383 30 20 IKED CC(=O)N1CCc2c(sc3nc(-c4cccc(F)c4)c(C#N)c(-c4ccc(C)cc4)c23)C1 541585748 GNTCFUZJWVGCPJ-UHFFFAOYSA-N 441.531 5.854 30 20 IKED Cc1noc(C)c1CC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 543086259 AXPXNDOOOSHLQF-AWEZNQCLSA-N 448.285 5.291 30 20 IKED Cc1ccc(Oc2ncccc2-c2noc(-c3ccc(CC#N)cc3)n2)c(Br)c1 547250484 WWJAQNNNNYBQMD-UHFFFAOYSA-N 447.292 5.728 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCC(C#N)(c2ccccn2)CC1 548840980 ZBSUBRWGNBKFFB-UHFFFAOYSA-N 441.318 5.049 30 20 IKED N#Cc1ccc(Br)c(C[S@](=O)[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 549689619 SPOILAVWPSFTJT-RLWLMLJZSA-N 444.781 6.012 30 20 IKED CCCOc1ccccc1Oc1ncccc1CNC1CCN(c2ccc(C#N)cc2)CC1 552040655 IDGNCVTUNWFWIG-UHFFFAOYSA-N 442.563 5.293 30 20 IKED N#Cc1cscc1C(=O)Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1 555979762 DLQSJEXUXLRNOP-UHFFFAOYSA-N 443.403 5.198 30 20 IKED Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 560602965 MGENRNNPFAIPDA-INIZCTEOSA-N 428.577 5.022 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)c2)cc1 569754589 FJKBIIIENJQLGE-FQEVSTJZSA-N 440.503 5.233 30 20 IKED Cn1ccc2ccc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)cc2c1=O 573512229 RZIIILLJSYBYQX-UHFFFAOYSA-N 429.863 5.108 30 20 IKED C=CCn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1ccc(-c2ccccc2OC)cc1 574003774 MVCSNJOPNJTERF-HXUWFJFHSA-N 439.563 5.323 30 20 IKED CCCOc1c(Cl)cc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1OC 603897975 SLRQUSWFLKXLJQ-UHFFFAOYSA-N 442.821 5.202 30 20 IKED N#Cc1cc(NC(=O)N[C@@H](CC(F)(F)F)c2ccccc2)ccc1OCC(F)(F)F 604084374 MGTAIWBDTSFMAA-HNNXBMFYSA-N 431.336 5.315 30 20 IKED CCCCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H](C)c1ccc(C)o1 604500519 PGXWWSOYOWXSKA-OAQYLSRUSA-N 445.563 6.628 30 20 IKED C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 606175023 YKIHEWGNKOCTTR-LERXQTSPSA-N 449.357 5.910 30 20 IKED C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C1 608638523 GCECOBGJCGACAO-IMNPFHOJSA-N 440.403 5.828 30 20 IKED C=CCn1c(SCc2c(C(=O)OC)sc3ccccc23)nnc1-c1ccoc1C 608845565 JREXXGPPZGMGBT-UHFFFAOYSA-N 425.535 5.326 30 20 IKED Cc1cc(NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)n(CCC#N)n1 609059377 ODYRITIUEAUSPY-UHFFFAOYSA-N 445.954 5.333 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)o1 609090811 IXWNNVAWIYSCIC-UHFFFAOYSA-N 448.482 5.204 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)Cc3coc(-c4ccc(Cl)cc4)n3)c2)cc1 609176169 AOTQIDJJWKGTTN-UHFFFAOYSA-N 429.863 5.840 30 20 IKED CCCN(CCc1ccccn1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 609207330 QFOQTTLGJIUGNC-UHFFFAOYSA-N 434.927 5.886 30 20 IKED CN(Cc1ccccc1N1CCCC1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609208868 OEUZLSYMTJBLGM-UHFFFAOYSA-N 426.520 5.615 30 20 IKED Cc1ccc(OCc2ccc(C(=O)N[C@H](C#N)c3ccccc3Br)o2)c(C)c1 609591311 MAMXIZSYIQUUML-LJQANCHMSA-N 439.309 5.233 30 20 IKED C[C@H](Sc1nnc(-c2ccc(Cl)s2)o1)C(=O)N(CCC#N)c1ccc(F)cc1 610167643 YGOWUKHTAYQUED-NSHDSACASA-N 436.921 5.018 30 20 IKED CC(C)Oc1ccc(NC(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)cc1C#N 610936823 UWDFZLZUWOSXIJ-GOSISDBHSA-N 430.508 5.202 30 20 IKED C[C@]1(C#N)CCCN(C(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)C1 612305021 JFMBDKSZAJEYLM-OAQYLSRUSA-N 445.445 5.507 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccccc2)c1C1CC1)c1nc(-c2ccc(Cl)cc2)cs1 613319450 FEZZICPCMLOEGC-LJQANCHMSA-N 444.947 6.017 30 20 IKED N#C[C@@H](C(=O)c1cc(F)cc(Br)c1)c1nc2cc(C(F)(F)F)ccc2s1 613403871 HMJDQPHIZCVPTK-LBPRGKRZSA-N 443.219 5.707 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 615513107 UAWNPDLHPREFSF-UHFFFAOYSA-N 428.401 5.463 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)c(Cl)c1 619420414 WUXVDTWGRBWWSK-UHFFFAOYSA-N 427.675 5.428 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(Cl)c(F)cc1Cl 645071286 OVQOPTVGSSYMRS-BQBZGAKWSA-N 426.159 5.772 30 20 IKED Cc1sc(C(=O)N2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1-c1ccc(F)cc1 674799631 LLHJFJNTFAIMOO-OKILXGFUSA-N 425.369 5.675 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1Cc2ccccc2C(F)(F)C1 676384829 GQVYVWRBFZTXKD-ITGUQSILSA-N 430.339 5.213 30 20 IKED COc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1C 728062331 IYNLKVNUTCZBNB-QGZVFWFLSA-N 449.938 5.547 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728299383 RKINJAUCVJDRHV-KRWDZBQOSA-N 433.483 5.114 30 20 IKED COc1cc(/C=C2\Cc3ccc(C)cc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 730949201 QWPURYLVSWPLIK-XDHOZWIPSA-N 447.918 5.497 30 20 IKED CN(C)C(=O)Sc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 731417806 OLEJZLAZYBTDFX-UHFFFAOYSA-N 433.558 5.735 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(c2ccc(C)c(F)c2)C(=S)N[C@@H]1c1cscn1 731430167 IUBJLNRBSWCACU-HXUWFJFHSA-N 441.528 5.166 30 20 IKED O=C(/C=C/c1ncc(-c2cccc(Br)c2)[nH]1)c1sccc1Br 731939398 XAXUWOKWVVFFKW-SNAWJCMRSA-N 438.144 5.559 30 20 IKED C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1nc2ccc(Cl)cc2[nH]1 732545773 XQJPLUOAGSZGFA-AWEZNQCLSA-N 432.936 5.730 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)/C(=C\c3ccco3)NC(=O)c3ccccc3)cc2)cc1 732958660 KXCZMOILIYCKRB-KOEQRZSOSA-N 449.466 5.353 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1OC 733229918 JBMFBCHIQNCBID-BRWVUGGUSA-N 433.335 5.103 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)c1 733774791 KTPCPYVIAFRHHO-OAQYLSRUSA-N 437.499 5.620 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)c1 733775305 RXUQXJBBMWAGBL-HXUWFJFHSA-N 442.544 5.212 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2c(F)cccc2-n2cccn2)c1 735010906 IUECJSTWQPXDRZ-UHFFFAOYSA-N 432.842 5.581 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)SCc1cc(Cl)ccc1OCC#N 735317798 FWHJIQARTIHQPR-ZDUSSCGKSA-N 439.364 5.473 30 20 IKED N#CCOc1ccc(Cl)cc1COC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 735343782 XNMITITWMYZQRP-UHFFFAOYSA-N 446.290 5.012 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(N2CC=CC2)cc1 741066143 SRUDYAMMDUHTCK-UHFFFAOYSA-N 438.531 5.144 30 20 IKED Cn1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1-c1ccccc1 744037854 GNAKGKZPAOSYOV-OAHLLOKOSA-N 425.435 5.811 30 20 IKED C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 749583534 MMYDSFQGEJBFIL-ZFWHIUCFSA-N 438.575 5.374 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)cc1C#N 752299266 LZYYOPHYVBUYJK-MRXNPFEDSA-N 429.480 5.071 30 20 IKED CC[C@H](CC(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccc(OC)cc1 752474642 XDHHRSTVEVQYTB-KDOFPFPSSA-N 435.549 5.044 30 20 IKED CC[C@@H](NC(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1)[C@@H](O)c1c(F)cccc1F 752680420 YRLUTPDADBXZEY-GDBMZVCRSA-N 438.343 5.253 30 20 IKED COc1ccc(C(=O)/C=C\c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1NC(C)=O 753899992 CXXUYLOTFSYHMK-VURMDHGXSA-N 447.343 5.980 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)cc1 757307045 ULBPRNBUXLBURM-LJQANCHMSA-N 429.863 5.274 30 20 IKED COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)c(O)c1 757471352 BSGWDMQIKDIYPQ-BJMVGYQFSA-N 428.897 5.091 30 20 IKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1ccccc1Sc1ccccc1 759241013 WGHYDGHCBWOEJT-IBGZPJMESA-N 446.528 5.165 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1sc(-c2ccccc2)nc1C(F)F 762018620 FLYBDAXDQJYJBZ-HNNXBMFYSA-N 435.455 5.743 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1)c1cccc(C(=O)c2ccccc2)c1 762027652 YVHIKQQSPASGFS-OPAMFIHVSA-N 430.891 5.022 30 20 IKED C[C@@H](OC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1cccc(C#N)c1 764614864 TVDPYWIFYPGZQL-UZUQRXQVSA-N 432.907 5.377 30 20 IKED O=C(Cc1csc(-c2cccs2)n1)OCC(F)(F)C(F)(F)C(F)(F)C(F)F 764753240 KPOKGVUQMUFSIL-UHFFFAOYSA-N 439.349 5.128 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCOc3c(cccc3C(C)C)C2=O)cs1 768490394 OPRHYPSDXJYRLZ-XMHGGMMESA-N 446.572 6.308 30 20 IKED C=CCn1c(S)nnc1-c1sc(Nc2ncnc3oc(-c4ccccc4)cc23)nc1C 769294098 YZANAWAXRRSNQV-UHFFFAOYSA-N 447.549 5.132 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C[C@H](O)c3cc(Cl)cc(Cl)c3)cn2)c1 772595011 OBEHMKTVWHDRJF-IBGZPJMESA-N 428.275 5.115 30 20 IKED CCC(CC)n1c(COc2ccccc2Cl)nn(CN2CCC(CC#N)CC2)c1=S 781572575 RHFVQQPFJJZBEC-UHFFFAOYSA-N 448.036 5.591 30 20 IKED C=CCCN(OCc1ccccc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F 782849861 ZOFFCTLXARZOHC-UHFFFAOYSA-N 447.457 5.070 30 20 IKED N#C[C@H](C(=O)NCc1ccc(F)c(F)c1)C(=O)c1cc2sc3ccccc3c2s1 786564942 ORNJNKXYBQTDNX-ZDUSSCGKSA-N 426.469 5.033 30 20 IKED C#CCn1ccc(CN(CC)C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)n1 788888670 BDCJHULKFWSGMT-QFIPXVFZSA-N 441.362 5.144 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(OCc2nnc(-c3ccc(C#N)cc3)o2)c(Cl)c1 790292493 MIPKGBCPKNEILV-UHFFFAOYSA-N 426.860 5.188 30 20 IKED C[C@@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 796036000 FLMMXOXZIJTZJY-GFCCVEGCSA-N 430.291 5.763 30 20 IKED CCN(C(C)=O)c1nc(/C=C(\C(=O)c2nc3ccccc3s2)c2ccccc2)cs1 797152649 HTQNJYKDENPYIR-AQTBWJFISA-N 433.558 5.549 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2ccc(C#N)cc2C(F)(F)F)cs1 799491741 IISGHLQLOJUKSB-UHFFFAOYSA-N 443.454 5.473 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2cnn(C3CCCC3)c2)cs1)c1ccc(F)cc1F 799897704 OYOVVKARPFLKSB-VQHVLOKHSA-N 442.491 5.314 30 20 IKED Cc1ccccc1[C@@H](O)C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 806232830 JDSMLQBLZXAOMI-SANMLTNESA-N 441.531 5.637 30 20 IKED C#C[C@@H](NCc1csc(N(C(C)=O)c2ccc(C)cc2)n1)c1ccc(Cl)cc1F 809699497 PLEWXPURKDKLFN-OAQYLSRUSA-N 427.932 5.393 30 20 IKED CC(C)(C(=O)[C@@H](C#N)c1ccc2ccccc2n1)c1csc(-c2cc(F)ccc2F)n1 810521512 PGQVOODBBCPVOF-KRWDZBQOSA-N 433.483 5.791 30 20 IKED COc1ccc(CNc2cc(C(=O)N(C)C(C)C)ccc2Cl)cc1OCCCC#N 864004391 ZESVKONYHDDDGN-UHFFFAOYSA-N 429.948 5.124 30 20 IKED CN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccc(F)cc2)n(Cc2ccccc2)c1=S 914783279 QIYFAYXDPSQGPE-UHFFFAOYSA-N 443.551 5.230 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc1 915353514 OCVVKXVUXIRNCW-UPVQGACJSA-N 431.561 5.617 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC(c2ccccc2)c2ccccc2)cc1 915717577 FRRUWWOXVYTJKM-SANMLTNESA-N 445.522 5.186 30 20 IKED CCCOc1c(Cl)cc(C=Nn2c(S)nnc2-c2cccc(Cl)c2)cc1OC 916542207 FWMFVCAPDDJWPU-UHFFFAOYSA-N 437.352 5.220 30 20 IKED Clc1ccc(CSc2nncn2N=Cc2c(-c3ccccc3)[nH]c3ccccc23)cc1 916546110 FMNSZTBJWWGINE-UHFFFAOYSA-N 443.963 6.254 30 20 IKED N#C[C@H](C(=O)CSCc1ccc(Cl)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 916845822 PBTGDQCJFNJELI-OAHLLOKOSA-N 443.981 5.039 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 920106081 RFHIKXCICYBENA-OAQYLSRUSA-N 444.922 5.067 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4cnccc4n3)CCC2)cc1 1786103712 ULOBAHBDRXVJQK-UHFFFAOYSA-N 440.547 5.146 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ncccc3C(F)(F)F)cc2)CCC1 1789855817 MMPUXJAAJHRZKS-UHFFFAOYSA-N 443.469 5.042 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(-c5ccccc5)nc4)cc3)CCC2)C1 1789954638 VHEHUSUURDXWBY-UHFFFAOYSA-N 437.543 5.463 30 20 IKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@]3(F)Cl)cc2)CCC1 1791672431 ILFHNYVPTXQGMQ-XXBNENTESA-N 449.042 5.096 30 20 IKED Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)n1 1792122299 JDTKOEGDVLIKJA-GOSISDBHSA-N 438.531 5.079 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(OCC5CC5)c(F)c4)cc3)CCC2)C1 1792185804 MZODPOFFVRXURS-UHFFFAOYSA-N 448.538 5.328 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3c[nH]c(C(C)(C)C)c3)C2)CC1 1807445588 COVLQVYMVFWYED-UHFFFAOYSA-N 427.633 5.149 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2Cl)[C@H]1c1cccnc1 1810501517 AZIUJJURBSMWKI-KNQAVFIVSA-N 439.987 5.047 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nc(C(C)C)cs2)n[nH]1 1816063690 WWJYNQNRSPVZGW-SFHVURJKSA-N 443.617 5.288 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(C)cccc3[nH]2)n[nH]1 1819054961 PVHWZAMWZLJQJY-FDDCHVKYSA-N 445.567 5.274 30 20 IKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1 1824538147 NSMYWZJDMRLTFP-ISQZKQDNSA-N 448.717 5.167 30 20 IKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](S)C(C)C)CC1 1825947691 TWISZUPUAWNHBC-IRLDBZIGSA-N 448.673 5.073 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)sc1C)=C(/S)Nc1cccc(OC)c1 11262083 IRDAWUMPPKOMTF-UHFFFAOYSA-O 425.599 5.274 30 20 IKED C=CCn1c(SCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1 18952364 KXWFNQCNNKYUSE-UHFFFAOYSA-N 447.391 5.189 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccc3c(c2)CCCC3)c(C)[nH]1 23603127 KBDGTKJIAPOCTF-UHFFFAOYSA-O 432.613 5.466 30 20 IKED COC(=O)c1sc2ncc(C(=O)/C=C/c3ccc(OCc4ccncc4)cc3)cc2c1C 107841542 BMMRPRPNTSARES-VMPITWQZSA-N 444.512 5.261 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)n1 195556984 VIPHVBBCXDKZLR-KRWDZBQOSA-N 435.578 5.613 30 20 IKED N#Cc1ccc(N2CCC(NCc3ccc(-c4ccc(Cl)c(Cl)c4)o3)CC2)nc1 237766673 MHAXRMBFKYSQOE-UHFFFAOYSA-N 427.335 5.279 30 20 IKED COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1 409544110 PSYUVYYMLMAMLN-VWNXMTODSA-N 444.506 5.360 30 20 IKED O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)N[C@@H](c1cc(F)ccc1F)C(F)F 433582689 BAIXIXMODZGVSR-HNNXBMFYSA-N 446.326 5.297 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N[C@H]2C[C@@H]2c2ccccc2OC(F)F)c1 437437167 VPXVWGPRQJZQAQ-RTWAWAEBSA-N 434.442 5.025 30 20 IKED C[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 438844383 YDMUKRRYMBVGAX-CYFREDJKSA-N 426.520 5.344 30 20 IKED Cc1cc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)n(-c2ccc(C(F)(F)F)cn2)n1 439102311 QHDDYUXBPGKHTP-UHFFFAOYSA-N 432.299 5.005 30 20 IKED CCCOc1ccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 439153756 QHESRZIAQCFVLR-JOCHJYFZSA-N 447.922 5.361 30 20 IKED N#CCCN(C(=O)CCCc1cc(Cl)sc1Cl)c1ccc2c(c1)OCCO2 446193022 QZNPLWAIFWHIGG-UHFFFAOYSA-N 425.337 5.096 30 20 IKED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@@H]1c1ccc(Br)s1 460783459 FBIBQBZKYWFSAE-JJRVBVJISA-N 437.407 5.117 30 20 IKED CCCN(C(=O)[C@H](C)Oc1ccccc1C#N)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 461534775 KBNZHLSOMLGTQS-UQBPGWFLSA-N 431.511 5.196 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCCCN1Cc1ccccc1 462040906 RZYSSRPNSQFSDF-DEOSSOPVSA-N 426.520 5.047 30 20 IKED Cc1cc(Br)c(NC(=O)c2occc2COc2cccc(C#N)c2)cc1Cl 463368142 NXZQTPKQXCRNRY-UHFFFAOYSA-N 445.700 5.707 30 20 IKED Cc1ccccc1-n1ncc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c1C(F)(F)F 464473223 QYHVYLPPYNGEHX-CYBMUJFWSA-N 438.331 5.103 30 20 IKED C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 467918702 HDUBQVZCOZXLOK-PSASIEDQSA-N 438.290 5.451 30 20 IKED CSC[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(C(F)(F)F)cc1 469053974 QQYQCUSFOADDEB-FQEVSTJZSA-N 447.526 5.805 30 20 IKED CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CCc1c(C)nc(O)c(C#N)c1C 471313271 URMRBDZMZUNIKZ-QHCPKHFHSA-N 427.976 5.498 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCSC[C@H]2c2nccs2)c1 472095771 PVECSYHXRZIIGR-SFHVURJKSA-N 441.965 5.391 30 20 IKED O=C(Nc1ccc(O)c(C(F)(F)F)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 476125262 AGJJKFCXSAEEBI-UHFFFAOYSA-N 433.283 5.007 30 20 IKED C=CCn1c(SCc2csc([C@@H](C)OC)n2)nc2sc3c(c2c1=O)CCCCC3 476509526 JWOMWNXZUNOHBE-CYBMUJFWSA-N 447.651 5.369 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1 476794207 SKHBHXQZQAXIKZ-VWLOTQADSA-N 430.504 5.395 30 20 IKED COc1ccc2ccccc2c1-c1cc(CNC(=O)Nc2ccc(C#N)cc2Cl)on1 477543387 OYJNVTZYIDOGES-UHFFFAOYSA-N 432.867 5.350 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)C1c2ccccc2-c2ccccc21 477727622 YLOHFPLNGBYEAC-SFHVURJKSA-N 427.573 5.721 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)c1 478425762 CKRARGLEKDVEBA-UHFFFAOYSA-N 428.454 5.442 30 20 IKED Cc1nc(-c2ccc(S(=O)(=O)Nc3ccccc3S[C@H](C)CC#N)s2)cs1 481584678 GEZAUVKGCVQURX-GFCCVEGCSA-N 435.621 5.375 30 20 IKED C=C(C)[C@H](N[C@@H](C)c1nc(O)c2c3c(sc2n1)C[C@@H](C)CC3)c1ccc(F)c(F)c1 481589036 XUWPBGAURAUBQP-QAJFTPDKSA-N 429.536 5.768 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1cnc2ccccc2n1 483195013 IBOFGXNHXIDLFO-GFCCVEGCSA-N 436.258 5.009 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(Br)cc2)nc1)c1nccc2ccccc12 483240510 UDIVIRJZZFXVCY-HXUWFJFHSA-N 444.288 5.675 30 20 IKED C[C@@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)Oc1ccccc1Br 483648853 VUSDVSFRHDDSMQ-LSDHHAIUSA-N 448.386 5.432 30 20 IKED CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 490449136 LURKPCKBHVENBU-OFNKIYASSA-N 445.950 5.071 30 20 IKED COc1ccc(CN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)[C@H](CO)C(C)C)cc1 492179680 QBOYTOGDEGPRFX-PGRDOPGGSA-N 441.597 5.140 30 20 IKED C=CCn1c(SCc2ccc(Oc3ccccc3)nn2)nnc1-c1ccccc1OC 498032129 PDXIBGOXSVZWIK-UHFFFAOYSA-N 431.521 5.014 30 20 IKED CC(C)(C)c1ccc([C@H]2CCCN2C(=O)Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)cc1 502818351 PSOKDRSWKUDMBD-JOCHJYFZSA-N 447.966 5.188 30 20 IKED CC[C@H](C)n1c(SCC(=O)Nc2ccc(C(C)(C)C#N)cc2)nnc1-c1ccccc1 505024454 MTUQERKWZRCYTK-KRWDZBQOSA-N 433.581 5.448 30 20 IKED C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 505192937 DPPDNZFPFNBAED-CQSZACIVSA-N 434.342 5.440 30 20 IKED COc1cc([C@@H](C#N)NC(=O)c2ccc(Sc3ccccc3C)cc2)cc(OC)c1OC 505553222 JSKWRNIUWGQRCS-HXUWFJFHSA-N 448.544 5.167 30 20 IKED N#C[C@H](NC(=O)c1ccccc1CSc1nc2ccccc2o1)c1ccccc1Cl 505689645 IXOAECRSPYZIAN-FQEVSTJZSA-N 433.920 5.768 30 20 IKED C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1 508681163 KWVKHDQQTOBPMY-UHFFFAOYSA-N 437.931 5.520 30 20 IKED C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@@H](c2ccco2)C1 508746530 KSYIHMUCFJAEOP-YLJYHZDGSA-N 442.947 5.045 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[C@@H](C2CCOCC2)C1 508800791 HSLDDBNKLIWVFF-WMZHIEFXSA-N 432.568 5.010 30 20 IKED CN(CC(=O)Nc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510055351 LNYPTLGLLYGRSC-OAQYLSRUSA-N 432.911 5.098 30 20 IKED COc1ccc(C[C@@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1OC 510298488 NCQWQYIWDLQWBG-LJQANCHMSA-N 444.531 5.166 30 20 IKED CCN(C(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1)c1ccc(C#N)cc1 510427767 KDRYAISJFRTUBG-UHFFFAOYSA-N 428.323 5.236 30 20 IKED CCN(CC)C(=O)c1ccc(C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1 511540556 IHXYOCVSPWRDEK-UHFFFAOYSA-N 443.522 5.335 30 20 IKED Cc1c(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)sc2ccc(C#N)cc12 513760467 JGAFALCSDRMIJC-SFHVURJKSA-N 426.339 5.120 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(Br)cc2)cc1 513961970 OIBNFFSXDIWKHC-UHFFFAOYSA-N 438.300 5.694 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)c2)c1 515447887 KYRGRIHCIFBKJO-UHFFFAOYSA-N 447.498 5.126 30 20 IKED C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)CSCc2ccc(C#N)cc2)cc1Cl 515613057 NBOUOIRRXFAFRC-MRXNPFEDSA-N 441.984 5.098 30 20 IKED Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 515705905 XYRNEKIQGGTZJM-UHFFFAOYSA-N 449.510 5.157 30 20 IKED Cc1ccc(C2=NN(C(=O)CNc3ccccc3SCCC#N)[C@H](c3ccco3)C2)cc1 517459104 VMSFRLAWWJYJCF-QFIPXVFZSA-N 444.560 5.384 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cnc(-c4ccccc4F)s3)c2)c1 517864037 LFODBRWREUQBPG-UHFFFAOYSA-N 442.475 5.325 30 20 IKED Cc1nc(-c2c[nH]c(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c2)cs1 519106645 GFAYEQKIZDNCFL-LJQANCHMSA-N 432.936 6.008 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)Cc1csc(Cc2ccc(F)cc2)n1 519957312 HJOWZZLNPLRGJO-UHFFFAOYSA-N 433.533 5.654 30 20 IKED N#CCCn1ccc(NC(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)n1 524226965 ZBROQXVKJCGVJH-UHFFFAOYSA-N 431.348 5.648 30 20 IKED CN1CCC[C@H](CNC(=O)c2cccc(OCc3ccccc3C#N)c2)[C@@H]1c1cccs1 525039043 CXZJAJWKPSXWAF-PXDATVDWSA-N 445.588 5.012 30 20 IKED Cc1c(C(=O)N2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)sc2ccccc12 525505703 XRVDUMZNHWSREE-UHFFFAOYSA-N 446.576 5.001 30 20 IKED Cc1sc(CCNCc2cn(CCC#N)nc2-c2ccccc2)nc1-c1ccccc1 531836135 WHTYDGSZMOHULI-UHFFFAOYSA-N 427.577 5.228 30 20 IKED CC[C@H](C)n1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1C1CC1 535523504 FGLWBZREKDCLGM-SFHVURJKSA-N 428.536 5.743 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@H](c3ccccc3)[C@@H]3CCOC3)cc2F)c1 539029991 PZABZXMQEQBVRP-PXDATVDWSA-N 445.494 5.176 30 20 IKED C[C@H](N[C@H](C)c1cccc(N2CCCS2(=O)=O)c1)c1ccc(-c2cccc(C#N)c2)cc1 543961277 HLRHGFNULPRJIX-VQTJNVASSA-N 445.588 5.177 30 20 IKED NC(=O)c1cccc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c1 543981298 NWQVHGWMWCCMJA-AWEZNQCLSA-N 444.297 5.216 30 20 IKED O=C(NCC[C@@H](O)C(F)(F)F)c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1 547405463 HQGAOXQNLPWQLZ-OAHLLOKOSA-N 441.368 5.039 30 20 IKED C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@@H](c2nc3ccccc3s2)C1 548948501 CIRZXCHZBBSSPM-HXUWFJFHSA-N 445.592 5.175 30 20 IKED N#Cc1cc(C(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cnc1C(F)(F)F 555901151 JBIMSUZTEANLRK-HNNXBMFYSA-N 446.429 5.042 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1ccccc1Br 557561060 NSFDVSIDTQWODP-LSDHHAIUSA-N 449.439 6.276 30 20 IKED Cc1nc(-c2cccc(-c3noc([C@H]4CCN(c5ccc(C#N)cc5F)C4)n3)c2)cs1 577211418 DBBANHFTZUANTF-SFHVURJKSA-N 431.496 5.173 30 20 IKED C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(OCc2ccccc2)CC1 580050143 JEXSDJPQMMVAIP-UHFFFAOYSA-N 441.579 5.043 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N(Cc3cccnc3)c3ccc(Cl)cc3)CC2)c(F)c1 583774657 CSOJUEBHXXDRAK-UHFFFAOYSA-N 448.929 5.196 30 20 IKED CC1(C(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)CCN(c2ccc(Cl)cc2C#N)CC1 588018291 XOZPNCADZZCTJK-GOSISDBHSA-N 441.925 5.255 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)N[C@H](C)c3ccc(C#N)cc3)c2)cc1 589308751 YLQOQZBOICXMFM-HXUWFJFHSA-N 426.516 5.150 30 20 IKED N#CCCN(C(=O)CSc1nc(-c2ccco2)nc2ccccc12)c1cccc(Cl)c1 589577180 XAGMDHRMMUAQSA-UHFFFAOYSA-N 448.935 5.582 30 20 IKED C=C(CNCc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1)c1ccccc1 603511728 RDRYLRWGOQEJTK-UHFFFAOYSA-N 431.483 5.650 30 20 IKED C[C@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)C(=O)Nc1ccc(F)cc1Cl 603818386 GOBNKCJSMYZTCA-LBPRGKRZSA-N 441.915 5.614 30 20 IKED Cc1ccc(S[C@@H](C)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 603834522 PFELKZWYUPKSCT-AWEZNQCLSA-N 426.592 5.130 30 20 IKED CNc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1[N+](=O)[O-] 603838292 ABMWVKOJITVSEX-CYBMUJFWSA-N 447.303 5.557 30 20 IKED CCN(C(=O)c1cc2c(OC)ccc(Br)c2[nH]1)[C@@H](C)c1ccc(C#N)cc1 604343355 RMJGQHDXDCQDIV-ZDUSSCGKSA-N 426.314 5.034 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(-c2nnco2)ccc1C 605923570 PURKDPXACSGJIO-UHFFFAOYSA-N 445.292 5.167 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 606784592 AKHCXGLUXCZMDT-GHTZIAJQSA-N 446.513 5.395 30 20 IKED CC[C@@H](NC(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1nc(C(F)(F)F)cs1 608770121 WDSFUNDGPFCDAH-SNVBAGLBSA-N 447.351 6.089 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3csc(Cc4ccc(F)cc4)n3)cn2)c1 608870267 HDPBOTGAVOZIIQ-UHFFFAOYSA-N 430.464 5.184 30 20 IKED C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1nc2ccccc2n1C(F)F 609006741 UKERBUBKDNWIKX-KRWDZBQOSA-N 432.474 5.733 30 20 IKED CN(C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2ccccc2n1CC#N 609167477 XFOBDZRDMBIWAJ-UHFFFAOYSA-N 443.378 5.066 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 609427756 IJJIXQBLRFWDHD-MRXNPFEDSA-N 428.579 5.049 30 20 IKED CC[C@@H](C)[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1nc2ccccc2[nH]1 609500859 JFRHNGKYKXCGON-MWTRTKDXSA-N 425.492 5.139 30 20 IKED COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)NC[C@H](C)C#N)cc1OC 609525535 NXFGAVPNYJMUGF-MCRQTXEHSA-N 441.531 5.018 30 20 IKED N#C[C@H](NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(Cl)cc1 609589442 HVCQVQFQYUYXSP-KRWDZBQOSA-N 435.858 5.406 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCCC[C@@H]2c2ccco2)cc1Cl 609928174 LIMNWYXNUGFAHR-JTHBVZDNSA-N 433.939 6.738 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(O)nc3ccc(F)cc23)cc1Cl 609968200 OKGIDSGPIVAFNS-FQEVSTJZSA-N 431.854 5.641 30 20 IKED Cc1ccc2oc(CN(Cc3ccco3)C(=O)CSCc3ccc(C#N)cc3)cc2c1 610067063 UYFHUCKDTGMOMX-UHFFFAOYSA-N 430.529 5.668 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)c3cc(NC(=O)CC(C)(C)C)ccc3Cl)c2C#N)C1 610221093 YNIXYILRQDUCOW-ZDUSSCGKSA-N 444.000 6.025 30 20 IKED CCN(C(=O)N[C@H](C)c1cccc(C#N)c1)[C@@H]1CCSc2ccc(Br)cc21 610356117 JTEIMQNNIKYYFR-AUUYWEPGSA-N 444.398 5.650 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2nnn(C3CC3)c2C(F)(F)F)cc1Cl 610396200 NSUBMTFYCSUXEX-INIZCTEOSA-N 445.832 5.193 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)N1CCC[C@@](C)(C#N)C1 612310127 HSZOPDIMNWJAIW-VWLOTQADSA-N 433.531 5.889 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1)c1nnc2n1CCCCC2 614438692 VNXWWYOLRPECML-HNNXBMFYSA-N 431.348 5.530 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 615792522 BHBDUNQCGUQPQV-UHFFFAOYSA-N 431.989 5.428 30 20 IKED C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 642281173 LGSNPECKDBNZLX-ZNOIYHFQSA-N 435.936 5.548 30 20 IKED Cc1cc([C@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)nc(C)n1 642282748 HFTCVTOVZAYZCL-KRWDZBQOSA-N 435.940 5.005 30 20 IKED O=C(c1ccc(Oc2ccc(F)cc2F)cc1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674444256 XZTMZDZOLDWIMW-ZIAGYGMSSA-N 439.302 5.570 30 20 IKED O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674617467 WXYJEWUQSFUBMM-OWCLPIDISA-N 426.376 5.439 30 20 IKED O=C(Nc1ccccc1OCC(F)F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 675570811 WLTRDWDFBNRVSL-UWVGGRQHSA-N 434.327 5.362 30 20 IKED N#C[C@H](C(=O)CCc1ccc(Cl)c(Cl)c1)c1nc(O)c2c3c(sc2n1)CCCC3 726317713 CSGGAWVJNCALPA-CYBMUJFWSA-N 446.359 5.392 30 20 IKED COc1ccc(C(=O)/C=C/c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1NC(C)=O 726427359 KNOAUPPZRNKKLY-CMDGGOBGSA-N 446.450 5.692 30 20 IKED N#Cc1ccc(NC(=S)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1Cl 726455782 GLNDBBFCHDTNCA-UWVGGRQHSA-N 429.817 5.408 30 20 IKED C#Cc1cccc(N2C(=O)/C(=C/c3csc(COc4ccc(C)cc4)n3)SC2=S)c1 726626557 IFQROVHMUDOTFV-NDENLUEZSA-N 448.594 5.418 30 20 IKED CC(C)(C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1cccc(Br)c1 726732298 UINWDRPJJMJLAB-AWEZNQCLSA-N 432.268 5.348 30 20 IKED N#CCCN(CC1CC1)C(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12 728870392 HKXUGVAVQQGTID-UHFFFAOYSA-N 434.337 5.430 30 20 IKED Cc1c(C(=O)NC[C@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)oc2ccc(F)cc12 728972123 HSOTXQKNQGQGQI-SFHVURJKSA-N 449.322 5.079 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C\c2cnn3ccccc23)C(=O)c2ccccc2)c(Cl)c1 729644533 XLBSRDPDKGHNIJ-ZHZULCJRSA-N 429.907 5.510 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 731061215 UUPYCCWOHOBHCV-RISBCKLPSA-N 440.609 5.417 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)CCn2c3ccccc3c3ccccc32)ccc1OC 733231162 ZLCZVYVGJRHOFQ-FQEVSTJZSA-N 441.531 5.191 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)ccc1OC 733640901 DCLHMHNLIHBLMP-KNQAVFIVSA-N 429.948 5.226 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 743476127 FPKUUNCXXKDUHW-FZKQIMNGSA-N 430.392 6.256 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)n1 747197618 KMZUJWGVUVMIJG-CQSZACIVSA-N 436.389 6.116 30 20 IKED COc1cc(CCC(=O)[C@H](C#N)c2nc3ccccc3s2)ccc1OCC(F)(F)F 750390303 MGXZVNIZRSNBMP-AWEZNQCLSA-N 434.439 5.055 30 20 IKED C/C(=C\C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(Cl)c1 750574614 VHCNESPKKNVCIT-ASNKMWSDSA-N 428.941 5.319 30 20 IKED O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)CC2(CCOCC2)C/C1=C\c1ccc([N+](=O)[O-])cc1 751517563 MDSLUNTVQBXUBG-LRVMPXQBSA-N 434.448 5.130 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(Cc2cccc(C)c2)Cc2ccccn2)cc1C#N 752304658 XJUJLMYXUWPGEV-UHFFFAOYSA-N 443.507 5.064 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2c[nH]c3cccc(Br)c23)cc1 753968992 QISJZDNOHPAEMQ-HXUWFJFHSA-N 444.332 5.767 30 20 IKED COc1ccc(CNc2cccc3c2CCN3C(=O)OC(C)(C)C)cc1OCCCC#N 754046406 NPJVYVPUYAUQQC-UHFFFAOYSA-N 437.540 5.287 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1cc(Cl)sc1Cl)C(=O)Nc1ccc(Cl)cc1 756232638 CYGVQUJGGRMXDH-LBPRGKRZSA-N 429.712 5.019 30 20 IKED C/C(=C/c1cccc(Cl)c1)C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 758889847 YEEYWOFVPATDBD-IRVMHKCDSA-N 428.941 5.319 30 20 IKED Cc1nc(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c(-c2ccccc2)o1 759828850 CLMHQCHJFRQLJT-AWEZNQCLSA-N 449.532 5.036 30 20 IKED COc1ccc(-c2nnc(CNc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)o2)cc1 760456031 QYRQNIPPXJDXEV-UHFFFAOYSA-N 446.894 5.461 30 20 IKED O=C(/C=C\c1csc(Cl)c1Cl)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 761479734 MUVNJMQZRMDIJN-UTCJRWHESA-N 429.268 5.287 30 20 IKED N#C[C@@H]1C(CN2CCc3ccccc3[C@@H]2Cc2ccccc2)=CC(=O)n2c1nc1ccccc12 761765065 HBVCENFRVXOIDP-SQHAQQRYSA-N 444.538 5.066 30 20 IKED N#C[C@@H](NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1cccc(C(F)(F)F)c1 768182332 YYTFPYSVWVKSKS-MRVPVSSYSA-N 443.039 5.709 30 20 IKED C=CCCC(=O)Nc1ccc(COC(=O)C2(c3cccc(Cl)c3)CCOCC2)cc1 774571098 PANSLXUPWIBJBU-UHFFFAOYSA-N 427.928 5.036 30 20 IKED C[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1ccccc1OCc1ccccc1 775207078 QTQTVFDLAJKGAY-AUSIDOKSSA-N 448.526 5.153 30 20 IKED CC(C)(C)n1ncc2c(O)nc(NN=C3CCC[C@H]3c3ccc(C(F)(F)F)cc3)nc21 776769807 IIZMJKNFXVMCHC-AWEZNQCLSA-N 432.450 5.041 30 20 IKED Cc1nc(-c2ccccc2)oc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 779196247 AKQRMVBQANYUHL-HXUWFJFHSA-N 437.455 5.404 30 20 IKED COc1cc(C(=O)Nc2ccccc2O[C@H](C)C#N)ccc1OCc1ccc(Cl)cc1 780148704 HMWSQZYGWBENNY-MRXNPFEDSA-N 436.895 5.471 30 20 IKED CC(/C=C\C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)=C/c1cccc([N+](=O)[O-])c1 787170767 BNUPMRYXOOROJK-RWJFQYMWSA-N 425.506 5.154 30 20 IKED C=CCOc1ccc(C(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)cc1OC 787664659 MFGSRTABUIHYRR-UHFFFAOYSA-N 443.543 5.051 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc3c(c2)nc(C)n3Cc2ccsc2)c1 788450019 QBLYMYFPTXBWII-NRFANRHFSA-N 444.560 5.066 30 20 IKED CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccsc1 790742796 PZHFEUVQVPLBPU-CYBMUJFWSA-N 428.366 5.035 30 20 IKED C[C@H](Cc1ccccc1C(F)(F)F)N(C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 805772208 GUJWAJCVJGPRPD-ZBFHGGJFSA-N 431.483 5.054 30 20 IKED N#C[C@H](C(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1cc(C(F)(F)F)ccn1 813212147 YDUNHMRUIOFWOL-KKSFZXQISA-N 448.416 6.088 30 20 IKED N#CCCN(Cc1cccnc1)Cn1c(-c2ccccc2)c(-c2ccccc2)oc1=S 834891120 NFZXVBUYQVTMAX-UHFFFAOYSA-N 426.545 5.913 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 915085827 FHTBJRCXQZUXRH-SANMLTNESA-N 446.510 6.238 30 20 IKED Cc1oc(-c2cccs2)nc1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915101315 GXRQEIOZGNDBEV-OAHLLOKOSA-N 439.949 5.907 30 20 IKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)cnc1O 916390313 JEDSYGQKUWUJLI-UPHRSURJSA-N 444.253 5.496 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(O[C@H](C)c2ccccc2)nc1 916907712 ZYRZMPONYVNAIJ-WZONZLPQSA-N 441.531 5.308 30 20 IKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCCC(C)C 916943092 SYMARKMCIPCYLY-SFHVURJKSA-N 449.334 5.388 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916976472 PDLCKUBFELSUIJ-KRWDZBQOSA-N 432.892 5.517 30 20 IKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 917773720 BPDNOKKXCKJDNK-JOCHJYFZSA-N 439.540 5.288 30 20 IKED CC1(C)CCc2nc(O)c(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2C1 1334626901 PIWIHOWSPBWAMT-UHFFFAOYSA-N 441.531 5.199 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cc[nH]c4nccc3-4)CCC2)cc1 1786102863 AGYLXJSOUBDPQL-UHFFFAOYSA-N 428.536 5.031 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)Cc3csc(C)n3)cc2)CCC1 1786857688 KEIUXROUTCCZLK-UHFFFAOYSA-N 425.598 5.121 30 20 IKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccccc3Oc3ccccc3)CCC2)cc1 1787888305 BJVFOHHJBBNCFX-UHFFFAOYSA-N 439.515 5.530 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)CCc4c[nH]c5ccccc45)cc3)CCC2)C1 1788242852 NHAUCZURDJVTCU-UHFFFAOYSA-N 427.548 5.201 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)cc2)CCC1 1790646537 WHIBCYHKTRMWNZ-UHFFFAOYSA-N 447.432 5.142 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5ccoc45)cc3)CCC2)cc1 1790956394 GPJGWWQOJKRQEX-UHFFFAOYSA-N 449.510 5.560 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)/C=C/c4cc(F)c(F)c(F)c4)cc3)CCC2)C1 1791501818 DXFMCLLBIWALNU-FPYGCLRLSA-N 440.465 5.217 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4cccs4)on3)CCC2)cc1 1791728946 IIFCDABVBMNDIZ-UHFFFAOYSA-N 447.560 5.344 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccncc1-c1cccc(C)c1)C2 1798331383 KGLFTZUDQNHHDF-UEQSERJNSA-N 443.591 5.077 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3ccoc3c1)CC2 1820101022 UMRSJHSJEJYFLG-KRWDZBQOSA-N 437.565 5.108 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3sccc3s2)[nH]n1 1821920566 IUKZGZXMPAHHQM-DZGCQCFKSA-N 428.583 5.204 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4sccc4s3)CC2)C1 1823700506 PGJJRURDAKCWQS-SFHVURJKSA-N 428.623 5.162 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1828294647 GDUHPTSPXYULEM-HXOBKFHXSA-N 442.003 5.267 30 20 IKED C=C(Cl)CSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccc(Cl)c(OC)c1 8759886 QSSZXQFIEXVDBB-ZDLGFXPLSA-N 449.359 5.587 30 20 IKED CCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccc(C)cc2C)cc1 10168502 VRHVYDWKXAOEKU-UHFFFAOYSA-O 448.612 5.352 30 20 IKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccccc2)c(Cl)c1 15248240 DHGWRGLBSBLPFP-UHFFFAOYSA-O 440.932 5.203 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccoc1C 21925175 NCLRGDALVMXRFM-UHFFFAOYSA-N 430.533 5.430 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nnc1-c1ccoc1C 23519597 QZOCBJZZYKWLAK-GOEBONIOSA-N 436.537 5.137 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(F)c(Cl)cc2Cl)cc1 59799255 VQDNTWOUQPRDJW-UHFFFAOYSA-N 429.278 6.030 30 20 IKED N#C[C@@H](C(=O)CSc1cccc(Br)c1)c1nc(-c2ccccc2)cs1 97529705 FJTBFTFWEVBYSO-INIZCTEOSA-N 429.364 5.541 30 20 IKED N#CCOc1cccc(NC(=O)c2sc3cccc(F)c3c2COc2ccccc2)c1 107965083 WZMDLDMDPNZDQZ-UHFFFAOYSA-N 432.476 5.774 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)c2cccc(OCc3ccccc3C#N)c2)c(OC)c1 108847661 DRIIIRYUWBPXFQ-VWLOTQADSA-N 442.515 5.132 30 20 IKED CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1 255364122 WERLLEPPLNKMPX-INIZCTEOSA-N 436.364 5.364 30 20 IKED COc1ccc(-c2nnc(S[C@@H](C#N)Cc3ccc(C)cc3)n2Cc2ccco2)cc1 302109408 PQEVAWUAMCULMZ-JOCHJYFZSA-N 430.533 5.130 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(F)c(F)c3)n2)nc2cc(Cl)ccc2c1=O 303233875 ZLHBKXHPFBJFNY-UHFFFAOYSA-N 445.878 5.461 30 20 IKED CCOc1c(Br)cc(CN[C@H](C)c2ccc(C#N)cc2)cc1Br 319647032 DAHIGCMILAEGBU-GFCCVEGCSA-N 438.163 5.333 30 20 IKED C[C@H](NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1nc(C(F)(F)F)cs1 426239617 STBPJJWVLBMAPM-KWQFWETISA-N 429.361 5.355 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4nc(C5CC5)no4)cc3)n2)cc1 435458651 KIYXONKYMRLRFC-LJQANCHMSA-N 426.501 5.536 30 20 IKED CCOc1cccc2[nH]cc(CC(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c12 437602242 MEQSICKCGHEBFQ-UHFFFAOYSA-N 426.476 5.115 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN([C@H](C)c2ccc(Cl)cc2)CC1 438039497 QESFNXKMFQXJHP-QZTJIDSGSA-N 443.016 5.645 30 20 IKED CC(C)(CO)[C@@H](CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccccc1 438194896 ZFYRVPYDKJBCJH-VWLOTQADSA-N 428.532 5.077 30 20 IKED COCCN(C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[C@H](C)c1ccccc1 438664985 KEJPUZJEDJCGKN-GOSISDBHSA-N 433.483 5.731 30 20 IKED CCCc1c(NC(=O)Nc2c(C)noc2-c2ccccc2)cnn1-c1cccc(C#N)c1 439687909 ZTIAFTJNCJAZGZ-UHFFFAOYSA-N 426.480 5.304 30 20 IKED C=CCN(Cc1cccs1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444014480 PNHZJFYNFCJAKZ-INIZCTEOSA-N 436.421 6.158 30 20 IKED CCN(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 447476944 CVRQGCDUKDGBCZ-VWLOTQADSA-N 440.478 5.308 30 20 IKED N#Cc1ccccc1Oc1ccc(-c2nc(CCn3nnc4ccccc43)no2)cc1Cl 460744447 CCSUCUCRRZNOBN-UHFFFAOYSA-N 442.866 5.041 30 20 IKED CC(C)Sc1cc(Br)ccc1CNc1cnn(-c2ncccc2C#N)c1 461405294 IZJGXCOEYHJIFT-UHFFFAOYSA-N 428.359 5.014 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@@H]3CCO[C@H]3c3ccccc3)c2)cc1 466074645 VLSODEUDHZUEBW-OZXSUGGESA-N 441.531 5.231 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccccc2NC(C)(C)C)nnc1-c1ccco1 466449344 QRLBWPMFDSOWPY-UHFFFAOYSA-N 425.558 5.055 30 20 IKED CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469050306 PMTGOHAPPOQVTC-RBUKOAKNSA-N 432.568 5.222 30 20 IKED CN(Cc1cc(Br)ccc1F)C(=O)c1cn(CCCC#N)c2ccccc12 469065777 UJNKVWJBLGUPJR-UHFFFAOYSA-N 428.305 5.119 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(C)c2Br)cc1C 470042705 DGCRPMVJGKMLAO-UHFFFAOYSA-N 437.341 5.404 30 20 IKED N#CCCN(C(=O)CNc1cccc(OCc2cccc(C#N)c2)c1)c1cccc(Cl)c1 470539890 OFNXQWLFHLVVQW-UHFFFAOYSA-N 444.922 5.149 30 20 IKED CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470562958 KMXOQCICEXMFEO-QHCPKHFHSA-N 432.568 5.063 30 20 IKED C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1noc(-c2ccccc2)n1 473794940 NXAGNTVHNFEPIM-MRXNPFEDSA-N 425.448 5.283 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)n1 474419653 BWHVQJZSNZNEDZ-INIZCTEOSA-N 441.603 5.549 30 20 IKED COc1ccc([C@H](CNC(=O)C[C@@H](CC#N)c2ccccc2)c2c[nH]c3ccccc23)cc1 474425264 HHQHXNKHJDHRDX-RDGATRHJSA-N 437.543 5.512 30 20 IKED CSc1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1Cl 474771375 HIBRPKGMKFUYTK-UHFFFAOYSA-N 442.928 5.037 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CSc1nncn1-c1ccc(C)c(Cl)c1 476108803 LGCNJERLHDXROR-UHFFFAOYSA-N 441.000 5.812 30 20 IKED C=CCn1c(S[C@H](C(=O)OCC)c2cccc(Cl)c2)nnc1-c1ccccc1OC 478528506 JSPAIKYZRBZXPQ-IBGZPJMESA-N 443.956 5.190 30 20 IKED Cc1cc(F)cc(Br)c1OCC(=O)Nc1ccccc1S[C@H](C)CC#N 478822264 CTARXJTVENPQIM-CYBMUJFWSA-N 437.334 5.308 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 480187326 BMLPVVKVUOFKON-INIZCTEOSA-N 431.989 5.636 30 20 IKED C[C@H](Sc1nnc(Cc2ccccc2)n1C1CCCCC1)C(=O)Nc1ccccc1C#N 481340461 MKVXGZNBMGRNIO-SFHVURJKSA-N 445.592 5.365 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(OC)c1 481929793 HRQRRTLQJFUKHM-DEOSSOPVSA-N 428.488 5.345 30 20 IKED CCS[C@@H](C)c1noc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)n1 482927559 KPIVOCIRHIFURN-HNNXBMFYSA-N 437.525 5.212 30 20 IKED COc1ccc([C@@H](CCO)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 482986848 DCORSBFBJZUIGC-LADGPHEKSA-N 449.938 5.249 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 483069577 UTOVEQPOBXOFJD-OAQYLSRUSA-N 449.514 5.155 30 20 IKED C[C@H](NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1)c1ccc(Cl)c2ccccc12 483622319 NZYJRGVUGKYKLI-GJZGRUSLSA-N 441.940 5.062 30 20 IKED Cc1cc(Br)cc(C)c1N(CC(F)F)C(=O)C[C@@H](CC#N)c1ccccc1 484074388 JVIURHWUIHSUPI-QGZVFWFLSA-N 435.312 5.752 30 20 IKED Fc1ccc([C@H](CC(F)(F)F)NCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cc1 494431190 OWKBXPIDHATPNQ-IBGZPJMESA-N 445.382 5.873 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC3(Cc4ccc(F)cc4)CCOCC3)cc2)cc1 499186453 DWJKOMZGDQTQBO-UHFFFAOYSA-N 444.506 5.206 30 20 IKED Cc1ccc(-n2nc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c3c2CCC3)c(F)c1 499601922 GZODUIZBHBEIQL-HNNXBMFYSA-N 449.436 5.043 30 20 IKED CC(C)c1cc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)c2cnn(C(C)C)c2n1 505928149 JZYJLOMKVRFPKJ-IBGZPJMESA-N 429.446 5.149 30 20 IKED C[C@H]1CCCCN1C[C@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1 505935463 LZCHEAAEXCTOAY-LEWJYISDSA-N 433.621 5.436 30 20 IKED N#C[C@H](NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1cccc(C(F)(F)F)c1 505971205 NPXKYHOTICLWMU-JITJBCMDSA-N 449.517 5.032 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 506019153 GVJFHFALDWIBGE-AWEZNQCLSA-N 432.977 5.144 30 20 IKED C[C@H](C#N)CSc1ccccc1N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 506266980 GKGKGUGHWDXFQI-KDOFPFPSSA-N 435.471 5.054 30 20 IKED CCN(C(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 509592271 NJRSGBILPSOXMP-SFHVURJKSA-N 431.584 5.713 30 20 IKED Cc1cc(-c2noc(CCC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)n2)ccc1F 509672639 KXASZFQHNQZLAU-UHFFFAOYSA-N 442.450 5.419 30 20 IKED C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCC(Oc2ccc(C#N)cc2F)CC1 512801432 LNHFJISXOCWHCR-CQSZACIVSA-N 426.879 5.005 30 20 IKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cc12 513139067 YQJNUYINTWFIKQ-MRXNPFEDSA-N 444.413 5.438 30 20 IKED O=C(CCc1nc2ccccc2n1-c1ccccc1)NCC#Cc1cccc(C(F)(F)F)c1 515543159 OJBSRDGUZAVLIA-UHFFFAOYSA-N 447.460 5.145 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1n[nH]c(-c2ccccc2)c1Br 517454677 BWEIMYNOGPCYEJ-CYBMUJFWSA-N 441.354 5.343 30 20 IKED CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccccc3S[C@@H](C)CC#N)n2)cc1 517517433 AHPOKLKGXCFSIK-KRWDZBQOSA-N 434.565 5.826 30 20 IKED Cc1ccc(-n2nc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c3c2CCCC3)cc1 518670705 GYNMRPUEJLVZOZ-SFHVURJKSA-N 445.473 5.294 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccccc2)c1C1CC1)c1nc(-c2c(F)cccc2F)cs1 520432247 VGRDQGRVJMCLCB-MRXNPFEDSA-N 446.482 5.641 30 20 IKED O=C(Nc1ccc(F)c(F)c1F)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 520433596 NRRDMPFSEHDYES-UHFFFAOYSA-N 447.253 5.238 30 20 IKED Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c(Br)c1 520928945 KMSGGBQKUDTQHU-GJZGRUSLSA-N 433.371 5.558 30 20 IKED CC(C)(C)OC(=O)C1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 522635021 VHMUDIIRDYDQNZ-UHFFFAOYSA-N 440.927 5.198 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N(CCc3ccc(F)cc3)C3CC3)c2)c1 523983690 NZHCQWVGLQFXAK-UHFFFAOYSA-N 442.494 5.189 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(Cl)ccc3Br)cc2)c1 524388950 FWLAFUSWZLZLOQ-UHFFFAOYSA-N 441.712 5.805 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CC3(C(=O)O)CCCCC3)cc2Cl)c1 524406632 RCCJBWJCPSUQFJ-UHFFFAOYSA-N 426.900 5.154 30 20 IKED N#Cc1cc(F)c(C(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)c(F)c1 531266468 KHBXMFXAJRHULD-JOCHJYFZSA-N 431.442 5.066 30 20 IKED C[C@@H](CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc(-c2ccccc2)no1 535560959 VEEAYIDQSSNBGB-SFHVURJKSA-N 438.487 5.128 30 20 IKED CC(C)Sc1ccc([C@@H](C)NCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 538203442 MDLYLKIWYXVSIW-ZWKOTPCHSA-N 427.639 5.871 30 20 IKED N#CC1(CCCN[C@@H](c2cccc(F)c2)c2cccc(Br)c2)CCOCC1 539711004 WXFUQJRUSUVRAG-OAQYLSRUSA-N 431.349 5.368 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cccc(CSC2CCOCC2)c1 540871261 GCIPMEDFSJIQRD-UHFFFAOYSA-N 444.556 6.015 30 20 IKED COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)N2CCC(CC#N)CC2)s1 541980462 COCTWKPQSCLKGR-UHFFFAOYSA-N 446.576 5.257 30 20 IKED Cc1sc(CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)nc1-c1ccc(Cl)cc1 543299723 YELFJYFVKCEUTB-UHFFFAOYSA-N 436.968 5.518 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)c2cc(Cl)ccc2Sc2ccccc2)CC1 548772972 HOBAQVJAHFQHTP-UHFFFAOYSA-N 433.964 5.584 30 20 IKED C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(C2CCOCC2)CC1 548948419 VDILJOKDCHEEPY-UHFFFAOYSA-N 449.624 5.206 30 20 IKED C[C@@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1c(Cl)cccc1Cl 552331706 IUNNQZDRAJXPLE-HNNXBMFYSA-N 432.351 5.222 30 20 IKED Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 560695346 GQOLTWMYTBTWEZ-HXUWFJFHSA-N 433.449 5.032 30 20 IKED CSc1nc(C2CC2)cc(C(=O)NCCc2nc(C3CCCCC3)cs2)c1C#N 561984548 KSJFHJHJIUZZQG-UHFFFAOYSA-N 426.611 5.029 30 20 IKED C=C(C)Cn1c(SCC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)nnc1-c1ccco1 563708408 PBOPCGNBTJEDDD-HBMCJLEFSA-N 448.592 5.001 30 20 IKED Cc1cc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCc2ccccc2)c2ccccc2n1 575818023 WJLWZMVKVQJZDG-UHFFFAOYSA-N 436.563 5.175 30 20 IKED Cc1sc(C2(NC(=O)CSc3ccc(C#N)cc3)CCC2)nc1-c1ccccc1F 580118555 HKMLCERADMHMOE-UHFFFAOYSA-N 437.565 5.417 30 20 IKED C[C@](C#N)(NC(=O)c1ccc(COc2ccc(Br)cc2)o1)C1CCCCC1 581329862 HYZRULBPLGQIKS-OAQYLSRUSA-N 431.330 5.213 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3cnc(Cc4ccc(F)cc4)s3)cc2)ccn1 584752806 KWVHDJLOBQUZEH-UHFFFAOYSA-N 430.464 5.184 30 20 IKED CCn1ccc(CN(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 588347872 QWBRCANBXKMCTQ-UHFFFAOYSA-N 447.486 5.110 30 20 IKED N#Cc1c(F)cccc1SCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 590596251 SPIBZEIAJWBDJS-INIZCTEOSA-N 427.551 5.290 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)c1occc1CN1C(=O)Cc2ccccc21 590699550 IKLVRUHIOKJIAB-UHFFFAOYSA-N 438.508 5.083 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCC4)c3c(C)noc3n2)c(C)s1 590781667 QNZYVVSLWXIXHT-UHFFFAOYSA-N 434.546 5.551 30 20 IKED C[C@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C2CC2)o1 603692044 PQXQNXPYGBLTKJ-AOMKIAJQSA-N 428.492 5.658 30 20 IKED C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(OCCCC#N)c3)cc2[N+](=O)[O-])C1 603971070 GVUFYSVMQRDMKJ-QZTJIDSGSA-N 436.512 5.012 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](c1ccc(C(C)(C)C)cc1)C(F)(F)F 604257558 VEUVXGGXPAEMCB-NRFANRHFSA-N 434.506 5.064 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(CN3CCCCCC3)CC2)cc1 604364107 QQGZTIXQAQAOTC-UHFFFAOYSA-N 432.568 5.470 30 20 IKED C=CCN(C(=O)c1cc2ccc(F)cc2s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 604468241 QLOHCICVVMDWEV-UHFFFAOYSA-N 439.493 5.905 30 20 IKED COc1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1OCc1ccc2ccccc2n1 609066064 DOYRLUWOBQQRIF-UHFFFAOYSA-N 437.499 5.265 30 20 IKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)CC(=O)Nc1ccccc1SC[C@H](C)C#N 609385244 IXBJLPDPUDIPEZ-CVEARBPZSA-N 435.515 5.589 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(Br)s1 609389571 ZHBZVKUUWGJXRH-GFCCVEGCSA-N 441.441 5.634 30 20 IKED COc1ccc(CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@@H](C)C2CC2)cc1 609422388 OUVHVECUQHFEKO-SFHVURJKSA-N 442.519 5.587 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1 609428262 HXMLMWKIACXZOE-HNNXBMFYSA-N 432.505 5.448 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(OC)c1 609434304 RVACBGYZEJFINM-XMMPIXPASA-N 443.503 5.737 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](Cc1ccccc1)c1ccccc1 609436054 UIQAKTDDWLQXDW-WMZHIEFXSA-N 443.572 5.120 30 20 IKED N#CCCn1cc(CNCc2ccccc2Oc2cccc(F)c2)c(-c2ccccc2)n1 609600459 DREOLCKVENJQRA-UHFFFAOYSA-N 426.495 5.685 30 20 IKED CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1 609642360 AJCJJKWWFRGBAX-LJQANCHMSA-N 441.531 5.052 30 20 IKED C[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccc(-n2cncn2)cc1 609722301 RCEMYCOWRUGXID-MRXNPFEDSA-N 443.894 5.076 30 20 IKED COc1cc(CSCC(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1cccc(C#N)c1 609741101 DUQSOLZCGJDSTD-AVRDEDQJSA-N 438.593 5.074 30 20 IKED C[C@@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 610162963 AJQZSHUARZUDTM-WZONZLPQSA-N 433.939 5.410 30 20 IKED C=CCN(C(=O)C[C@@H](C)c1ccccc1C(F)(F)F)c1nc(C(=O)OCC)cs1 610172752 BFQYNIXDIMHKCG-CYBMUJFWSA-N 426.460 5.051 30 20 IKED CN(Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 610322182 NSKGWHIMZDAIBS-HSZRJFAPSA-N 426.520 5.089 30 20 IKED COC(=O)C(C)(C)[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1 610820492 UYQSQMDIMDUQAH-JXFKEZNVSA-N 425.554 5.143 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC([C@@H]4CCOC4)CC3)cc2Cl)c1 612305209 RBUWYOYXXGEPQY-HXUWFJFHSA-N 439.943 5.071 30 20 IKED Cc1sc([C@H](C)NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)nc1-c1ccc(Cl)cc1 618820664 FCTHEIQBKANOSE-RNODOKPDSA-N 436.968 5.691 30 20 IKED C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 642282089 KEGVBKFJXBTHCA-XFBWCDHKSA-N 443.450 5.400 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)Nc1ccc(C#N)c(Cl)c1 726484918 FQAVJOXYRUXTMR-UHFFFAOYSA-N 434.927 5.934 30 20 IKED N#Cc1cccc(COc2ccc(NCC(=O)Nc3ccccc3Cl)cc2Cl)c1 728053183 RJHZVKLCBNMDQV-UHFFFAOYSA-N 426.303 5.495 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\Cc3c(ccc(Cl)c3Cl)C2=O)cs1 729150720 LSFWMDMSNRBFJW-NTEUORMPSA-N 443.355 6.265 30 20 IKED Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 729375681 QILFWRBDXWMRCW-UHFFFAOYSA-N 428.879 5.750 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CCc1ccc2ccccc2c1 731074195 KREICMAMNNJLGU-GOSISDBHSA-N 432.545 5.349 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNc2nc(CN3CCCC3)nc3sc(C)c(C)c23)c1 733793134 IPHJCNIJNLGKTP-IBGZPJMESA-N 435.597 5.197 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(CC)[C@@H](C)c2cccc(C(F)(F)F)c2)c1 733804808 MRNLPYWDFKIOAQ-OXJNMPFZSA-N 433.474 5.679 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)c1 733843019 IQTXVOBGSQGKNZ-QHCPKHFHSA-N 429.520 5.289 30 20 IKED C=CC[C@H](NC(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21)c1ccncc1 734685400 ZZWQYQSBDZQWDL-ZWKOTPCHSA-N 432.387 5.340 30 20 IKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccccc2)[n+]2cccc(O)c2Cl)cc1Cl 735664878 BKIKRDSPDIGXBU-UHFFFAOYSA-O 443.335 5.181 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(CN(CC)C(=O)OC(C)(C)C)c1 737002499 BMSLMCQKLGOEEA-UHFFFAOYSA-N 448.567 5.535 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)c3ccsc3NC(=O)c3ccco3)c2)s1 739748501 AHZFOCNFLSIWGG-UHFFFAOYSA-N 433.514 5.124 30 20 IKED Cc1cc(/C=C\C(=O)c2cnn(-c3ccc(C#N)cc3)c2C)cc(C)c1OCc1ccccn1 741845593 YZONJOHYKBMPNN-XFXZXTDPSA-N 448.526 5.539 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N[C@H](CC)c2nc(C(F)(F)F)cs2)cc1OC 744726094 WRMGGPNJPHOKMQ-IUCKJTJTSA-N 426.460 5.016 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnc(-c3ccc(C)cc3C)s2)cc1 747111804 RVSSPPHBKFWPRS-HRAATJIYSA-N 431.561 5.902 30 20 IKED N#Cc1ccc(CSCC(=O)O[C@H](c2ccccc2)c2nc(-c3ccccc3)no2)cc1 749058289 WNIRTXNIKSETEK-HSZRJFAPSA-N 441.512 5.174 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cc3cc(C)c(C)cc3o2)cs1 749132853 SEZPBGGSQSZZBE-JXMROGBWSA-N 430.529 6.395 30 20 IKED COc1cc(CN2CCC[C@@H]2C[C@H](O)c2cccs2)ccc1OCc1cccc(C#N)c1 750829156 GJMZXIVTWSYMHH-PKTZIBPZSA-N 448.588 5.295 30 20 IKED CC(C)c1cccc(C(C)C)c1NC(=S)NC1CCC(Oc2ccc(C#N)cn2)CC1 768294714 SRJADPSEDMSIGJ-UHFFFAOYSA-N 436.625 5.877 30 20 IKED N#CCCCn1cc(C(=O)Oc2ccc(-c3noc([C@@H]4CCCO4)n3)cc2)c2ccccc21 774083796 SBVCEYZGCKFQNG-QFIPXVFZSA-N 442.475 5.066 30 20 IKED COc1cc(CN[C@@H](c2ccccc2)C2CCOCC2)ccc1OCc1cccc(C#N)c1 775442384 ZKWLVGJAAPJACZ-NDEPHWFRSA-N 442.559 5.403 30 20 IKED Cc1ccnc(C2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)n1 775520806 XUXHTOLNSRNETM-QFIPXVFZSA-N 445.954 5.505 30 20 IKED C[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(OC(F)(F)F)c1 775548900 RTYPZYXMSFDAMV-CABCVRRESA-N 437.487 5.126 30 20 IKED COc1ccc(NN=Cc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)cc1Cl 782232582 UVYGAYURHAFPGJ-UHFFFAOYSA-N 428.945 5.553 30 20 IKED FC(F)(F)c1ccc(CON=Cc2ncc(Br)cc2Br)cc1 783857096 SHBMZRSWVINFMQ-UHFFFAOYSA-N 438.041 5.176 30 20 IKED C#CCn1ccc(CN(CC)C(=O)c2oc3ccccc3c2CSc2cccs2)n1 788821950 ZVULXLSZFUEPDE-UHFFFAOYSA-N 435.574 5.279 30 20 IKED N#C[C@@H](C(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)c1cnc2ccccc2n1 792105369 VZIXFTIQJZFCJF-MZNJEOGPSA-N 431.854 5.419 30 20 IKED N#C[C@@H](C(=O)CN1CCC([C@@H](F)c2ccccc2F)CC1)c1nc2ccccc2s1 796138631 TYJQBDSPSCRIJW-HTAPYJJXSA-N 425.504 5.034 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1C 796630246 CGUDXQJBGQXXMG-OAQYLSRUSA-N 449.551 5.428 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)[C@H]1OCCc2sccc21 796806982 JXLXBLDAAVHFFI-POEZALAKSA-N 430.501 5.276 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)s1 797569834 XXDFPBKIDWGAEC-HNNXBMFYSA-N 428.945 5.343 30 20 IKED N#Cc1ccc(-c2nnc(CNc3ccc(Cl)cc3C(=O)c3ccccc3F)o2)cc1 799967884 OZRUZCHSRJEQQU-UHFFFAOYSA-N 432.842 5.244 30 20 IKED C[C@H](NCc1cnc(NC(=O)OC(C)(C)C)s1)c1ccc(-c2cccc(C#N)c2)cc1 800262741 RVAACJWDHQYZQU-INIZCTEOSA-N 434.565 5.880 30 20 IKED CCOc1ccc(-n2c(SCCO[C@@H](C)C#N)nnc2-c2ccc(Cl)cc2)cc1 801654105 FKZIIXBVXNRRDA-HNNXBMFYSA-N 428.945 5.007 30 20 IKED COc1ccc([C@H](O)C2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)cc1 812936708 UQVMGISIDTULTJ-SBUREZEXSA-N 439.581 5.067 30 20 IKED N#Cc1ccsc1NC(=O)CSC1=NC(=O)/C(=C\c2csc3ccccc23)S1 814773438 REFAQKNGHNAFTC-VIZOYTHASA-N 441.584 5.177 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@@H](C#N)c2nc3ccccc3n2C)cc1 915099846 DARZLJGPFSXRAI-JOCHJYFZSA-N 448.526 5.539 30 20 IKED CC[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)N1CCc2ccccc2C1 915352385 HGSNWFXPHHOOIJ-SVBPBHIXSA-N 438.575 5.300 30 20 IKED N#C[C@@H](C(=O)C1(c2ccc(Br)cc2)CCCC1)c1nc2ccccc2s1 916847873 SHXRUSSYDGBUNI-INIZCTEOSA-N 425.351 5.747 30 20 IKED N#C[C@@H](C(=O)CSCc1ccc(Cl)cc1)C(=O)Nc1ccc(SC(F)F)cc1 916882733 BNNDCLKPDBQKIH-INIZCTEOSA-N 440.924 5.235 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(-c2cccs2)n1 916907443 IADKKXTVUFVCOT-INIZCTEOSA-N 445.525 5.625 30 20 IKED Cc1ccc(C(=O)CCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)s1 916911735 XTZAVRVEJUKUNM-GOSISDBHSA-N 432.501 5.159 30 20 IKED C=CCn1c(SCc2c(C)nn(Cc3ccccc3)c2Cl)nnc1-c1ccco1 917201220 LTWWLKSEZMKNLX-UHFFFAOYSA-N 425.945 5.223 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN(Cc2ccc(Cl)c(Cl)c2)C(C)C)c1=S 917483162 RLPRGYLIBOVQKF-UHFFFAOYSA-N 448.423 5.837 30 20 IKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccsc1 917665084 SYPFANXYPUFRIY-FQEVSTJZSA-N 435.574 5.217 30 20 IKED COc1cc2c(cc1NC(=O)CSCCOc1cccc(C#N)c1)oc1ccccc12 917955261 YOFYLGLKHXPKJI-UHFFFAOYSA-N 432.501 5.217 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1OC 919870288 HAKJBRDOHGESHQ-ABMFHFBKSA-N 443.927 5.123 30 20 IKED C=CCOc1cccc(NC(=O)/C=C\c2ccc(OCc3c(C)noc3C)c(OC)c2)c1 919873357 OLHPIJKFMAFEMJ-BENRWUELSA-N 434.492 5.096 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)s2)cc1 920105403 FTCXTWDAUCJCPA-LJQANCHMSA-N 443.528 5.512 30 20 IKED N#C[C@H](C(=O)[C@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1)c1nc2ccccc2s1 920105816 FPYNMOAPMZVPMX-ADRWGQEASA-N 449.963 5.220 30 20 IKED CCN(c1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1)C(C)C 920850709 CDRQJJQODGTXKA-UHFFFAOYSA-N 429.568 5.568 30 20 IKED CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1N=Cc1cccc(OC)c1O 920943115 PZKSYXAGJJIODY-UHFFFAOYSA-N 434.492 5.201 30 20 IKED COc1ccccc1-c1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)C)C3)c(O)n1 1527278758 SZOHVRFPVCTZCR-OAHLLOKOSA-N 447.560 5.409 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Nc3ccccn3)CCC2)cc1 1785842515 FHTOBTZZMABHGH-LJQANCHMSA-N 434.584 5.009 30 20 IKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)no3)CCC2)cc1 1786394461 YHVIYXJFSRPNPR-QFIPXVFZSA-N 449.576 5.044 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCc3cccc(C)n3)cc2)CCC1 1786739208 XFPLHDKNNAJVTA-DEOSSOPVSA-N 431.580 5.225 30 20 IKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)c(Cl)cc4F)CCC3)cc2)CC1 1787883761 AAYGTTCSMAJPDU-UHFFFAOYSA-N 446.309 5.184 30 20 IKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)o4)cc3)CCC2)c1 1788876998 LFOWPGZWWHMMAE-UHFFFAOYSA-N 447.922 5.185 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)ccc4F)CCC3)cc2)cc1 1790707350 ITIOMPIVDWGMEM-UHFFFAOYSA-N 445.469 5.092 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5ccsc5[nH]4)cc3)CCC2)cc1 1790877225 ODOMHXCMNSRFRG-UHFFFAOYSA-N 440.528 5.163 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)C4CC5(CCC5)C4)cc3)CCC2)cc1 1792039791 GLELIIBDEHJLMQ-UHFFFAOYSA-N 427.548 5.081 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](CC)c2ccccc2)[C@@H]1c1cccnc1 1806273600 GTBMNTAVOUUQHJ-DSITVLBTSA-N 447.623 5.274 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4cc(F)ccc4s3)n[nH]2)C1 1819076267 CLBOUKGGRJXBBU-GOSISDBHSA-N 438.528 5.036 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(F)c2Cl)[nH]n1 1819309530 VZPPTINOHFVUOX-DNVCBOLYSA-N 444.938 5.277 30 20 IKED CC(C)(C)CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(C#N)CCC2)[nH]n1 1822116892 MQPOVLVVMKYKIY-IBGZPJMESA-N 427.593 5.092 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCn2cccc2)CC1 1823752451 UAWWXPRAACJHGB-DEOSSOPVSA-N 441.660 5.271 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccccc2Cl)CC1 1826570799 OORNCHSWLVONKW-XXBNENTESA-N 431.020 5.105 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3ncccc3c2)CC1 1828032971 PWDXHZLEWGRYCR-AZGAKELHSA-N 445.607 5.237 30 20 IKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc(F)ccc4s3)CC2)C1 1828601937 MDDXJKNSXOHRMK-OAQYLSRUSA-N 440.584 5.240 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)cc2F)CC1 1828822778 ANROASJEBSXCGU-NZQKXSOJSA-N 446.994 5.481 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C3CC3)cc2)CC1 1831447171 PBNFSWVCOAHGQY-QFIPXVFZSA-N 430.539 5.009 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc(F)ccc2F)CC1 1832778164 NYZOHPUBOWBGHE-QHCPKHFHSA-N 446.582 5.119 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cccc([N+](=O)[O-])c1)=C(/S)Nc1ccc(C)c(C)c1 11160350 UECDNAJTKCDAAC-UHFFFAOYSA-O 434.541 5.112 30 20 IKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(Nc3ccccc3F)s2)cc1C 11454267 LYURHIWFWVYJAW-UHFFFAOYSA-N 441.557 5.077 30 20 IKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccc(C)cc2)cc1 28793665 QYCPPBSGAFICKZ-UHFFFAOYSA-O 448.612 5.433 30 20 IKED C=CCNC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)cc1 29811637 RSHCZNQSRISTOF-SFHVURJKSA-N 446.576 5.584 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 71862438 XMAAJJGINPXCBN-UHFFFAOYSA-N 447.523 5.696 30 20 IKED Cc1ccc(NC(=O)NC(=O)[C@@H](C)Nc2ccc(Oc3ccccc3C#N)cc2)c(C)c1 72030816 UDYSLIFMRXUOHK-GOSISDBHSA-N 428.492 5.116 30 20 IKED N#CCCCOc1cccc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 108294003 UZHBDMNTDHWKGX-UHFFFAOYSA-N 445.466 5.693 30 20 IKED C#CCOc1ccc(CNC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)cc1 236694836 SOFUHKZQESUWFP-UHFFFAOYSA-N 427.544 5.073 30 20 IKED COC(=O)CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(F)c1 303956125 XKBQNCBQRTXMDQ-UHFFFAOYSA-N 437.311 5.073 30 20 IKED COc1ccc(Oc2cc(CNC(=O)c3sc4ccc(C#N)cc4c3C)ccn2)cc1 428173128 CFJCOZVDNKUGFB-UHFFFAOYSA-N 429.501 5.207 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)s2)cc1OC 430597432 AHYYUQPZRMKHFC-CQSZACIVSA-N 441.578 5.380 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC(C)(C)[C@@H]2c2cccnc2)cc1 432851585 ONQZUTZEBCOEJS-QHCPKHFHSA-N 428.492 5.369 30 20 IKED N#CCCn1cc(CNCCc2ccc(Oc3ccc(F)cc3)cc2)c(-c2ccncc2)n1 433345331 XBYOSRFLIOPJGW-UHFFFAOYSA-N 441.510 5.122 30 20 IKED CC1(C)CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@H]1c1ccccc1 434215957 YSHBZZQEWJZYLR-VWLOTQADSA-N 439.559 5.989 30 20 IKED CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)[C@H](C)c1cccc(O)c1 438187699 QDYUBIJAMIMEJL-QGZVFWFLSA-N 431.492 5.680 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cccc(-c3ccccn3)c2)cc1 439656230 RALMDALWXUZTJW-UHFFFAOYSA-N 435.552 5.843 30 20 IKED C=CCOc1cccc(NC(=O)C(=O)N(C)[C@@H](C)c2ccc(-c3ccccc3OC)cc2)c1 442532322 DSPCRSDAJHOYPH-IBGZPJMESA-N 444.531 5.085 30 20 IKED CC[C@H](c1ccccc1)N1CC(=O)N(c2ccc(Oc3ccccc3C#N)c(F)c2)C1=O 446152589 UUNZGLLXRVCFDX-OAQYLSRUSA-N 429.451 5.410 30 20 IKED C[C@H](NC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)c1ccc(C#N)cc1 463997706 RNKHZUCZHSRZAW-AWEZNQCLSA-N 436.874 5.486 30 20 IKED COC[C@H]1CCCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 467387496 CBORHBHDIDIXRC-IBGZPJMESA-N 427.932 5.071 30 20 IKED Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 468142225 QSUUKLGNUDSGHE-NRFANRHFSA-N 432.568 5.039 30 20 IKED COc1cc(Br)ccc1[C@@H](C)NC(=O)N(Cc1ccc(C#N)cc1)C(C)C 469107050 RFZDTXDOOJWVAP-OAHLLOKOSA-N 430.346 5.011 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Cl)cc1-c1cccc(Cl)c1 469312854 YPWYNIHFNOKLRD-UHFFFAOYSA-N 440.330 5.821 30 20 IKED N#CCCCn1cc(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)c2ccccc21 469420608 SCFGGVVEBMWMKY-UHFFFAOYSA-N 437.425 5.402 30 20 IKED C=CCn1c(SC[C@@H](O)CC(F)(F)F)nc2sc(-c3ccccc3)c(C)c2c1=O 470017173 HVMLJCDSKNFBCU-AWEZNQCLSA-N 440.512 5.025 30 20 IKED COc1cccc(OC)c1SCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 473511872 ZLNFGITZNCIZPT-UHFFFAOYSA-N 427.570 5.230 30 20 IKED COc1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c(OCC(C)C)c1 475344265 UTQIJDUMKFSCHA-UHFFFAOYSA-N 431.492 5.350 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 476085994 UIKADTDXZUHUKN-UHFFFAOYSA-N 440.609 5.274 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(OC)c(OC)c2)nnc1-c1ccc(Cl)cc1 477051404 ZWCKBEUEINJGIR-AWEZNQCLSA-N 443.956 5.165 30 20 IKED CC1CCC(OC2CCN(C(=O)NC3CCC(Oc4ccccc4C#N)CC3)CC2)CC1 479185982 DKUWISTVBSDFOX-UHFFFAOYSA-N 439.600 5.018 30 20 IKED C[C@@H](c1c(F)cccc1F)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481657718 MQHRVQBWDLZDDU-HNNXBMFYSA-N 439.437 5.779 30 20 IKED O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 481667590 JWDQLFFPNYZRQJ-UHFFFAOYSA-N 428.682 5.707 30 20 IKED Cc1nc(NC(=O)c2c(-c3cccc(Cl)c3Cl)noc2C)sc1SCC#N 486036821 LWGKWLDMAJUEJX-UHFFFAOYSA-N 439.349 5.590 30 20 IKED C=CCN(C(=O)CC1CC(OC(C)(C)C)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 489551924 RLLQHNYIICVGGP-UHFFFAOYSA-N 429.542 5.221 30 20 IKED C=C[C@H]1CCCCN1C(=O)NC[C@@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 491833835 XCJNQONMZHQZSX-AVRDEDQJSA-N 433.552 5.067 30 20 IKED N#Cc1ccccc1-c1ccc(CS(=O)(=O)Cc2csc(-c3cccs3)n2)cc1 494702939 MFGUFAYKYUVNDZ-UHFFFAOYSA-N 436.583 5.525 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)n1 502690826 WYIUQPFQDBIEGW-INIZCTEOSA-N 433.385 6.541 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cccc(Br)c2Cl)c1C 503153924 VAXNTWVQMZXYJN-UHFFFAOYSA-N 429.705 5.029 30 20 IKED CC(C)(C)c1cccc(OCCn2cc(C#N)c(=O)c3cc(Br)ccc32)c1 504495461 ZGHHEJICBQOZQN-UHFFFAOYSA-N 425.326 5.012 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3C[C@H]3C)cc2)cc1 505623100 VJBGNFNJUKTTCZ-ZHRRBRCNSA-N 441.487 5.206 30 20 IKED CC1(C#N)CCN(C(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)CC1 507840359 HKULCYRJXJDOJX-UHFFFAOYSA-N 431.323 5.403 30 20 IKED C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(c2ncccc2Cl)CC1 508490052 PLTFAXNMRHQJNP-MRXNPFEDSA-N 441.938 5.176 30 20 IKED COc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(OC)c1 510052599 ATNZLPFNWIIVHJ-NRFANRHFSA-N 435.911 5.334 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 510225584 CEAZTIXGRPCWDA-HJPURHCSSA-N 425.488 5.506 30 20 IKED CCN(Cc1ccccc1Cl)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510228512 DASBGYQAFICFEA-UHFFFAOYSA-N 443.985 5.409 30 20 IKED COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)Nc1cc(C#N)cn1C(C)(C)C 510581902 ASPMKJCZRMGYLZ-KRWDZBQOSA-N 445.361 5.255 30 20 IKED Cc1ccc(N(C(=O)c2cccc(COc3ccccc3C#N)c2)C2CCCCC2)nc1 513233795 ORJDOJYEELSXQG-UHFFFAOYSA-N 425.532 5.820 30 20 IKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)[C@@H](C#N)c1nc2ccccc2o1 515597252 DIQUYXWGJPTKDH-HXUWFJFHSA-N 437.455 5.655 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H](c2ccc(F)cc2)c2ccccc2Cl)cc1 516044756 OAZXSKWJEMKTTM-JOCHJYFZSA-N 449.913 5.125 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1 518016323 KQPFWHSHIQNWEW-BJKOFHAPSA-N 434.442 5.279 30 20 IKED N#CCCSc1ccccc1NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl 518649122 RBGRVSNXHGVUOH-UHFFFAOYSA-N 440.899 6.832 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 520162364 UYRVYIQHHZWOMZ-UHFFFAOYSA-N 432.499 5.252 30 20 IKED CC(C)[C@@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)N1CCc2ccccc2C1 520195588 DZNUTCANYGLXLU-AUSIDOKSSA-N 436.625 5.285 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 521730606 RANDQJVNSJVGFU-KBPBESRZSA-N 448.375 5.237 30 20 IKED Cc1ccc(NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1OC(F)F 522299158 WFXCUDAKAGEFJM-UHFFFAOYSA-N 447.492 5.256 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)N(C)S(=O)(=O)c3ccc(Cl)c(C#N)c3)s2)cc1 523521745 ANDFCDOZKCUCMH-HNNXBMFYSA-N 445.997 5.334 30 20 IKED COc1cc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc(OC)c1OC 523881879 WYUKCADLTRCUKA-UHFFFAOYSA-N 438.867 5.282 30 20 IKED N#C[C@@H](C(=O)c1ccc(CNC(=O)C2CCCC2)cc1)c1nc2cc(Cl)ccc2s1 524374884 RMJCSBGPAGPJAU-SFHVURJKSA-N 437.952 5.246 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1csc(Br)c1 524392678 YEDSZBJVCGHMCP-UHFFFAOYSA-N 427.323 5.522 30 20 IKED CC(C)(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1ccc(Cl)cc1 525024742 AQZMIFIXAPBIJB-OAQYLSRUSA-N 447.000 5.325 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3cccc(OCc4ccccn4)c3)c2)c1 532695312 PGQCAFXDJYOMIZ-UHFFFAOYSA-N 435.483 5.364 30 20 IKED COc1ccc([C@@H](NC(=O)c2ccc(CC#N)cc2)c2ccccc2)cc1Br 533896405 PPIJAXSEGSFHRE-QFIPXVFZSA-N 435.321 5.043 30 20 IKED CC[C@H](C)n1ncc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1C1CC1 534228929 IILKBOFZNVWUMM-INIZCTEOSA-N 445.523 6.048 30 20 IKED Cc1cn2c(CN(C)C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)c(C)nc2s1 535503168 DMYQIWTWBNXMOR-UHFFFAOYSA-N 434.496 5.088 30 20 IKED Cc1cc(NCc2nnc(-c3cccc(C#N)c3)o2)nn1-c1ccc(Cl)c(Cl)c1 537435571 WLBCJXNFLDFRMK-UHFFFAOYSA-N 425.279 5.021 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)cc1Cl 539028279 FAEXJLILRWWDAS-QFZRFWILSA-N 445.950 5.895 30 20 IKED COc1cc2c(cc1OC)CN(C(=O)N[C@H](C)c1ccc(-c3cccc(C#N)c3)cc1)CC2 541157608 UPUWLIGVSNSBMP-GOSISDBHSA-N 441.531 5.071 30 20 IKED CCS(=O)(=O)Nc1ccc([C@@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 543034447 LEWIYOWPPKAVGA-RBUKOAKNSA-N 433.577 5.399 30 20 IKED C[C@H](NC(=O)N(Cc1ccccc1)Cc1cc[nH]n1)c1ccc(-c2cccc(C#N)c2)cc1 543942982 MDFSGGPNPPDHDD-FQEVSTJZSA-N 435.531 5.421 30 20 IKED COCCOc1ccc(Cl)cc1-c1noc(/C=C\c2cn(CCC#N)c3ccccc23)n1 547174636 WWOXVJKOIITAAT-YFHOEESVSA-N 448.910 5.454 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCn2c(cc3c(Cl)cccc32)C1 549290592 ATYBZNNOADWEIW-UHFFFAOYSA-N 447.970 5.199 30 20 IKED N#Cc1cc(C(=O)Nc2cccc(Oc3ccnc4ccccc34)c2)cnc1C(F)(F)F 550812666 MXLBSKLEWCMUJO-UHFFFAOYSA-N 434.377 5.565 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 554479658 RJLJEVQWMGMBPA-UHFFFAOYSA-N 435.455 5.185 30 20 IKED C=CCOc1ccc(CNC(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1 558109949 HAYYEADWTNBCDB-IBGZPJMESA-N 429.520 5.064 30 20 IKED CC1(C#N)CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2cccs2)CC1 559167531 BYEBUGDYAOIYJH-UHFFFAOYSA-N 444.029 5.464 30 20 IKED N#CCc1cccc(Br)c1OCc1ncc(-c2ccccc2Br)o1 559646173 QLSWPQLQGXPRMJ-UHFFFAOYSA-N 448.114 5.512 30 20 IKED Cc1ccc(OC2CCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)CC2)cc1 567404612 GSCCRAWRRAFRMF-UHFFFAOYSA-N 428.492 5.129 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1N1CCCC1 569031509 VYCGVLIVIGVQBJ-OAHLLOKOSA-N 433.499 5.810 30 20 IKED CC(=O)N[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccc(C)cc1 570032102 ORNQVTZYWRGTMU-SFHVURJKSA-N 449.498 5.226 30 20 IKED C=CCN1C(=O)N(c2ccc(Oc3ccc(Cl)cc3)nc2)C(=O)[C@H]1Cc1ccccc1 582683586 YFDMBVVOAYMHFJ-OAQYLSRUSA-N 433.895 5.093 30 20 IKED C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C1CC1)[C@H](C)c1ccccc1Cl 584200996 YNDUCCRKUOCGHY-OAHLLOKOSA-N 446.942 5.163 30 20 IKED C=C(C)COc1cccc(NC(=O)C2(c3ccc(Br)cc3)CCOCC2)c1 589383030 VAIPJVDUBJJHSI-UHFFFAOYSA-N 430.342 5.091 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Cc2cccc(OCc3ccccc3C)c2)cc1 592015405 SIWHEBNOTJUWOH-UHFFFAOYSA-N 429.520 5.063 30 20 IKED C=CCc1ccc(OCc2nc(-c3cccc(OCc4cccnc4)c3)no2)c(OC)c1 598811231 MNHGAXNGXXYOAH-UHFFFAOYSA-N 429.476 5.027 30 20 IKED Cc1ccc([C@H](C)N(C)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c(C)c1 604085247 ZDPURAFTEDXMOP-INIZCTEOSA-N 437.594 5.544 30 20 IKED CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604090306 SBGYFRJJHGQBEL-UHFFFAOYSA-N 436.855 5.576 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 604090710 OJYYUBRHVCGCFQ-UHFFFAOYSA-N 436.899 5.501 30 20 IKED Cc1ccc([C@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)N(C)C)cc1 609078576 APPADKWPLBADPT-SANMLTNESA-N 442.563 5.179 30 20 IKED COCCSc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 609147550 GWDRQYVNRSFTCR-KRWDZBQOSA-N 448.548 5.367 30 20 IKED CCN(C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H](C)c1cc2ccccc2o1 609438932 ZJEPHKFOOIUXTK-IAGOWNOFSA-N 435.549 5.375 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3nnc(SCc4ccccc4)s3)cc2)nc1 609496402 SEKRDUCNZJXURQ-UHFFFAOYSA-N 445.529 5.142 30 20 IKED Cc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(OCCN(C)C)c1 609979762 VMAXCTJFRBRSJL-UHFFFAOYSA-N 429.520 5.046 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](COCc1ccccc1)c1ccccc1 610142691 KGMMRTCZZZFCNT-RDPSFJRHSA-N 445.588 6.018 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)CCc2c(C)nc(O)c(C#N)c2C)cc1 610191341 LKLXKHMPQNNYFF-LJQANCHMSA-N 443.547 5.104 30 20 IKED C[C@H](NC(=O)NC1CCN(c2cccs2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 611847623 NYSOLZKSHOHCQK-SFHVURJKSA-N 430.577 5.316 30 20 IKED CC(=O)c1ccc(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)o2)cc1 613318967 LCJOQKHSKKIKBO-IBGZPJMESA-N 446.915 6.416 30 20 IKED Cn1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c2ccccc21 613347406 ZWWGVOSWDYFCOJ-OAHLLOKOSA-N 426.328 6.099 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)cc1 626580247 BMEROHWESXUXAC-UHFFFAOYSA-N 445.548 5.014 30 20 IKED Cc1cc(C(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c(C)n1CC(F)(F)F 679706771 NGDVWLGEXKMIQU-CQSZACIVSA-N 444.322 5.302 30 20 IKED C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H]1c1ccc(O)cc1 685543814 LMCPKOKNANSZCQ-LJQANCHMSA-N 443.320 5.080 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(COc2ccc3ccccc3c2)o1 726755426 MNHNSBFXEXSRGL-UHFFFAOYSA-N 447.494 5.761 30 20 IKED COc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1NC(=O)OC(C)(C)C 727222715 JWUBEGMJJTZRHQ-UHFFFAOYSA-N 438.528 5.356 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)OCc3cc(C#N)ccc3F)c2)cc1 727556186 PQIOGBWHBVEVPN-UHFFFAOYSA-N 431.463 5.155 30 20 IKED CNC(=O)c1ccc(/C=C/C(=O)c2sc(-c3ccc(Br)cc3)nc2C)cc1 727779971 DBOYNJNGONIULW-LFYBBSHMSA-N 441.350 5.137 30 20 IKED CCc1c(C)sc(NC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)c1C#N 727790792 SBAQKIGCOFZGRV-UHFFFAOYSA-N 428.517 5.768 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C/c2cccc(OC3CCCC3)c2)cc1Cl 727953509 CRFUACSBZKOBIA-WAEYIKQSSA-N 438.911 5.031 30 20 IKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(CCCCC#N)C2=O)cc1 728775809 DIGTWVWKPAXQRP-NRFANRHFSA-N 448.592 5.266 30 20 IKED Cc1ccc(C)c(-n2c(-c3ccccc3Cl)nn(CN(C)[C@H](C)CC#N)c2=S)c1 728902291 NNOWDXQQLKKKTM-QGZVFWFLSA-N 425.989 5.532 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@H](Oc2cccc(C(C)C)c2)c2ccccc2)n1 730692494 YYPSJXSMCCHGDB-NZQKXSOJSA-N 448.544 5.440 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2cccc(COCc3ccco3)c2)cc1 733620995 GJDPPUHSPDDYRB-SANMLTNESA-N 437.499 6.296 30 20 IKED CC(C)OC(=O)NCc1ccc(NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 735173594 KPVFGKBOOXMOAN-INIZCTEOSA-N 426.542 5.217 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)OCc2nccn2Cc2ccccc2)cc1 735890774 RQTMICOJOLSLNN-UHFFFAOYSA-N 439.540 5.452 30 20 IKED Cc1oc(-c2ccccc2F)nc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 739158691 BPZKOHYFAQGJJZ-KRWDZBQOSA-N 428.448 5.274 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Nc3cccc(Oc4ccncc4)c3)c2)s1 740455085 YPJVIRAYBXEBAO-UHFFFAOYSA-N 426.501 5.796 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](CCO)c2cccs2)cc1Cl 741061331 SLWSOYBDVJQPMS-ICSRJNTNSA-N 425.941 5.302 30 20 IKED Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 743093104 MJHFXHHUVZNGMX-IEUSDUHPSA-N 439.559 5.940 30 20 IKED N#Cc1cc(NC(=O)NC[C@H](O)c2ccsc2)ccc1Oc1ccc(C(F)(F)F)cc1 743221820 ZTSWKFVSEZELQV-SFHVURJKSA-N 447.438 5.286 30 20 IKED CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(C#N)o2)NC(=O)N1c1ccc(C)cc1C 743744662 MKLQDYWNXHAOIE-QHCPKHFHSA-N 444.466 5.091 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc1Cl 744033906 YPZZIHAJXJVFCF-ARFHVFGLSA-N 437.710 5.106 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)c3ccc(NC(=O)OCC(F)(F)F)cc3)c2C#N)C1 744350241 FEZVPPRYIJQGAY-LLVKDONJSA-N 437.443 5.108 30 20 IKED CC(C)c1cc(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)c2ccccc2n1 746264819 UONOMVUCWKJATJ-UHFFFAOYSA-N 425.488 5.266 30 20 IKED N#C[C@H](C(=O)CCCOCc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 748004505 ZRUYCMGVODXHSI-GOSISDBHSA-N 445.371 6.290 30 20 IKED N#Cc1ccccc1N1CCC(NC(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 749529930 JATFHMAORGUTTD-UHFFFAOYSA-N 430.360 5.479 30 20 IKED CN1CCC(N(Cc2ccccc2)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 749572338 CZDPGPBDLVQNCH-UHFFFAOYSA-N 444.604 5.093 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(C2CC(F)(F)C2)C1=O)Nc1cccc(Cl)c1 757886460 UWTYCQHGZQZBPO-KRWDZBQOSA-N 449.910 5.098 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CNc2cc(NC(=O)OC(C)(C)C)ccc2F)c1C 759777930 YUYRGWXPXXUUOV-UHFFFAOYSA-N 440.519 5.148 30 20 IKED N#CCn1c(-c2nc(-c3ccc(Br)cc3OC(F)F)no2)cc2ccccc21 762303804 LYYRCBHJNJLNRR-UHFFFAOYSA-N 445.223 5.246 30 20 IKED C=C(C)C[C@@H](C)C(=O)OCc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 767678717 BDVWZICJYAMNQP-CYBMUJFWSA-N 426.460 5.492 30 20 IKED N#C[C@H](NC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1ccc(OC(F)(F)F)cc1 768140866 XUHJAKSHAJWSJL-QFIPXVFZSA-N 448.404 5.190 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)O[C@H](C#N)Cc1ccc(F)cc1F 774333745 JLCZZIGEMXOZCQ-KRWDZBQOSA-N 444.434 5.018 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COc1c(C=O)cc(Cl)c2ccccc12 774663018 KCHNPCOTIWCCIH-OAHLLOKOSA-N 438.936 5.575 30 20 IKED C[C@@H](N[C@H](C)c1ccccc1C(F)(F)F)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 775458726 MIRQPWMGFZFOGC-HTQZYQBOSA-N 426.307 5.079 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1ccc(Cl)cc1 778296637 ARFZGKFHYHAVGF-QGZVFWFLSA-N 447.709 5.102 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H](c1cccc(Cl)c1)C1CCCCC1 780064136 HLSWKIVMWLMALF-ZHRRBRCNSA-N 439.943 5.007 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 780495251 KHIDFYFJUORWMP-GOSISDBHSA-N 426.476 5.267 30 20 IKED N#Cc1cc(NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)c(Cl)c([N+](=O)[O-])c1 784088709 MDPXZYRRAGYYRL-UHFFFAOYSA-N 436.733 5.046 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1cc2ccccc2c(Cl)n1 787488145 QCCUFCARJLDIDL-UHFFFAOYSA-N 440.931 5.676 30 20 IKED Cc1cc(CNC(=O)OC(C)(C)C)ccc1N(C(=O)C[C@@H](CC#N)c1ccccc1)C1CC1 796712770 ZFPIGPJBTYXRMD-JOCHJYFZSA-N 447.579 5.603 30 20 IKED COc1ccc(C(C)=NNc2ncnc(Cl)c2C(C)C)cc1CSc1ncccn1 797405449 WIDXEGPVJKKYFF-UHFFFAOYSA-N 442.976 5.180 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)s1 797571977 SKCPLHRJBJHJJO-YRPNKDGESA-N 435.593 5.090 30 20 IKED O=C(/C=C/c1cc(Br)c(O)c(Br)c1)c1cnn(C2CCCC2)c1 799898216 ZVFGEBBNNZJWCE-AATRIKPKSA-N 440.135 5.125 30 20 IKED C[C@H](C#N)OCCSc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1 801653205 AYQVRRRSUYGBEX-CQSZACIVSA-N 435.391 5.234 30 20 IKED C[C@H](NCc1cn(CCC#N)nc1-c1ccccc1)c1ccc(C(F)(F)F)nc1Cl 820845863 AMBKEASXLRRYQD-AWEZNQCLSA-N 433.865 5.382 30 20 IKED CC(C)(C)OC(=O)N[C@H](CCCCC#N)c1nc(-c2c(Cl)cccc2Cl)no1 904305705 FTLSFASLZRNDGN-CQSZACIVSA-N 425.316 5.693 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(Br)cc2Br)ccc1O 916140385 QKTKNNDOUUOYEQ-CLTKARDFSA-N 426.104 5.212 30 20 IKED Cc1cc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)c(C)n1C1CC1 916272684 ICFUIJWYZGFJCY-UHFFFAOYSA-N 436.968 5.722 30 20 IKED CCOc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916627914 CUHOJVLRMWOQBL-FQEVSTJZSA-N 440.952 5.898 30 20 IKED N#C[C@H](C(=O)/C=C\c1ccc(Br)o1)c1nc(-c2ccc(Cl)cc2)cs1 916628490 UWQIXMFYNKDQSL-BRLPQQTGSA-N 433.714 5.709 30 20 IKED Cc1nn(-c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cc2)c(C)c1Cl 916918621 QYSJKSBHNXTAFH-OAQYLSRUSA-N 442.906 5.257 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ccccc2Br)cc1 916950682 VTVZEJPWCOZWFX-BEFAXECRSA-N 427.342 5.243 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCc3nc(-c4cccs4)no3)n2)cc1 916974170 FQWRQHUKSFOLRW-INIZCTEOSA-N 434.546 5.429 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cccc(OC(F)F)c2)cs1 917559317 HUZKGTFOFXGGRY-DHZHZOJOSA-N 428.460 5.634 30 20 IKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc2ccccc2c1 917702146 ZNCFYIPGYSASBC-QFIPXVFZSA-N 447.560 5.219 30 20 IKED N#Cc1c(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)sc2c1CCCCC2 918549352 QMUGGUAJDRICPF-JOCHJYFZSA-N 442.540 5.595 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N(Cc2cccnc2)Cc2ccccc2C)cc1OC 918665293 JDXLKUOUVHIYBZ-OWBHPGMISA-N 428.532 5.206 30 20 IKED CC(C)Oc1cccc(CC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 921131835 NGBDCQLHACIXDV-JOCHJYFZSA-N 428.488 5.156 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(cnn4C)c3)cc2)CCC1 1789084758 LBYLOWLAMRVUDY-UHFFFAOYSA-N 444.579 5.313 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ncsc4[nH]3)CCC2)cc1 1789455722 AOBOCABXWKRNBR-SFHVURJKSA-N 434.565 5.141 30 20 IKED C/C(=C\c1ccc(C)o1)C(=O)Nc1ccc(C2(NC(=O)[C@@H](S)C(C)C)CCC2)cc1 1789581722 QKWJIFAZVPNYNK-OZIPEELISA-N 426.582 5.080 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnnc4ccccc34)CCC2)cc1 1789626155 AZSMLPLCNGYAOY-UHFFFAOYSA-N 442.563 5.370 30 20 IKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc4occ(Cl)c4c3)CCC2)cc1 1791576817 DEVBEDVFYFIARE-ZDUSSCGKSA-N 428.941 5.152 30 20 IKED Cc1nscc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792122605 OKUSHPPUMIWMSD-INIZCTEOSA-N 444.560 5.140 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)[nH]n1 1814444129 UQGVZLTWSPMUDJ-XODKDNOYSA-N 426.605 5.221 30 20 IKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3sccc3s2)CC1 1828553603 HGADAYNLTCNEFO-IBGZPJMESA-N 442.650 5.390 30 20 IKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829907167 KRFZDHOBEKNOSA-RUZDIDTESA-N 444.575 5.126 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)nc2)CC1 1831375545 ZTURHXUNBWGTKV-HFZDXXHNSA-N 445.607 5.194 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2F)CC1 1831566948 ZKIAMWWVSOBRQE-HSZRJFAPSA-N 446.582 5.119 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCC3CCC3)CC2)c1 1832629487 RZBINHXGCGUPHG-NLFFAJNJSA-N 435.612 5.127 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2OC(F)F)nnc1-c1cccc(C)c1 16862975 VUCIEOHCIPVFHM-OAHLLOKOSA-N 444.507 5.160 30 20 IKED Cc1cccc(N2C(=O)/C(=C/c3cn(CCC#N)c4ccccc34)c3ccccc3C2=O)c1 35584322 GCSKLHWPOUPKMA-KOEQRZSOSA-N 431.495 5.591 30 20 IKED C=CCc1cc(CNC(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc(OC)c1OC 65389084 WQCFFEUCVXZYGV-SFHVURJKSA-N 432.973 5.122 30 20 IKED CCOc1ccc([C@@H](CNC(=O)c2cccc(C#N)c2)c2c[nH]c3ccccc23)cc1OC 71802729 NLSLKZANQBBIEU-JOCHJYFZSA-N 439.515 5.009 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCOc1cccc2ccccc12 107805658 XRUMYYDKSOIFMO-UHFFFAOYSA-N 437.499 6.005 30 20 IKED CCO[C@H](C)c1nc(CC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cs1 217228010 PMYUFQBFLRGRGB-QGZVFWFLSA-N 435.549 5.067 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)c1 303544234 ZBUCWIWBPRNRIF-UHFFFAOYSA-N 439.943 5.026 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccnc(Oc2ccccc2F)c1 426830884 ABZURRSMCIPJHP-UHFFFAOYSA-N 431.920 5.626 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccccc1NC(C)(C)C)c1ccc(-c2cccc(C#N)c2)cc1 439831276 OQSYYSJBODFTDJ-SFHVURJKSA-N 440.547 5.252 30 20 IKED CCc1ccc(-c2ccc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)o2)cc1 442598033 NZBSQBJPYUBQCX-KRWDZBQOSA-N 443.528 5.588 30 20 IKED C=CCN(C(=O)c1cnc([C@@H](C)OCC)s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 443814541 HUFYKWNSTIBNSM-CYBMUJFWSA-N 444.538 5.105 30 20 IKED COc1ccc2sc(C(=O)Nc3c(C#N)c(SC)nn3-c3ccccc3)c(C)c2c1 445561701 RNSOIOSXCSCKHC-UHFFFAOYSA-N 434.546 5.250 30 20 IKED O=C(NCc1nc(C(F)(F)F)cs1)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F 446358655 ARAROZGFUSWYPV-LLVKDONJSA-N 435.752 5.057 30 20 IKED CC(C)n1ncc2cc(C(=O)N(Cc3ccc(Cl)cc3)c3cccc(C#N)c3)cnc21 460336185 APNSSHKBJYSHPJ-UHFFFAOYSA-N 429.911 5.384 30 20 IKED C[C@@H](C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1cccc(C#N)c1 462228415 BGRYWIUDIQUQGD-CYBMUJFWSA-N 429.373 5.646 30 20 IKED Cc1cc(=O)cc(C)n1CCCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N 463946498 AAWWDLSQSGDUEQ-UHFFFAOYSA-N 433.939 5.004 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc2c(C)n(C)nc2c1 464079122 XJZIUKWXRUDMKI-UHFFFAOYSA-N 431.309 5.003 30 20 IKED C[C@@H]1CCCN1CC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccccn1)CC2(C)C 464837051 WZRWZHURFXOZQH-DOOKAGJSSA-N 432.593 5.216 30 20 IKED COc1cccc(OC)c1Oc1ccc(CNc2ccc(C(F)(F)F)cc2C#N)cn1 467799674 SRLSDSWIEKASMG-UHFFFAOYSA-N 429.398 5.394 30 20 IKED Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 468565681 NHGRKGORNWJHMN-QGZVFWFLSA-N 432.593 5.602 30 20 IKED N#C[C@@H]1N(C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)CCC[C@@]12CCCCO2 468668241 QORNOXDXBXKQID-PXNSSMCTSA-N 436.364 5.184 30 20 IKED C=CCN(C(=O)Nc1c(CCC)cccc1C(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 471908944 GVRZCSDSSGCSCC-LJQANCHMSA-N 432.572 5.519 30 20 IKED CCCc1cccc(C(C)C)c1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 472687337 BDNZTXWXIVYXRV-UHFFFAOYSA-N 446.551 5.737 30 20 IKED C=CCn1c(S[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)nnc1-c1ccoc1C 473412279 PDZAITCGJYPKEZ-KRWDZBQOSA-N 449.363 5.237 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(F)cc1-c1nc2ccccc2s1 473797215 HQHFIVGORKNIHZ-UHFFFAOYSA-N 431.496 5.445 30 20 IKED CCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@H](c1cccnc1)c1csc2ccccc12 475901937 SUQIDXZFFFVLFK-KDYSTLNUSA-N 439.584 6.322 30 20 IKED CCc1c(-c2ccc(Br)cc2)n[nH]c1NC(=O)C[C@H](CC#N)c1ccccc1 475911798 PBFDRBVMVCOBAP-KRWDZBQOSA-N 437.341 5.428 30 20 IKED CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1 476133433 DPPIDOJXVUZWOT-UHFFFAOYSA-N 448.544 5.326 30 20 IKED C=CCn1c(S[C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)nnc1-c1ccco1 477557309 BCCPCQDPCKPNLI-CQSZACIVSA-N 426.929 6.194 30 20 IKED C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 480383535 BUQBPTDDLOTDAT-RISCZKNCSA-N 430.364 5.298 30 20 IKED CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)c2cccs2)cc1 481508592 WKRFRHBMHHTOIZ-NYHFZMIOSA-N 435.524 5.117 30 20 IKED CC(C)c1nc(CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cs1 481573759 NKCOCHBGCFDFEC-UHFFFAOYSA-N 438.528 5.220 30 20 IKED C[C@H](NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1)c1ccccc1Oc1ccccc1 483617997 HDPNWKOINGOIRV-ROUUACIJSA-N 449.532 5.047 30 20 IKED C[C@@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)c1ccc(C(C)(C)C#N)cc1 483778172 QMHZABYWJGZHNM-HXUWFJFHSA-N 437.543 5.460 30 20 IKED Cc1c([C@@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C(C)C)oc2ccccc12 483781785 FVSQFWVOMPGOGI-VWLOTQADSA-N 444.579 5.228 30 20 IKED N#CCCC[C@H](NC(=O)c1cc(Br)sc1Br)c1ccccc1 487419340 JWEVOIUCXDZGIQ-ZDUSSCGKSA-N 442.176 5.438 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(COC4CCOCC4)c3)cc2)c1 487602138 HGNFBWHVKYOKFZ-UHFFFAOYSA-N 442.515 5.085 30 20 IKED O=S(=O)(Cc1ccc(OCC(F)(F)F)cc1)Cc1cc(F)c(C(F)(F)F)cc1F 488843655 ZGTBZJVHBMGLPA-UHFFFAOYSA-N 448.331 5.040 30 20 IKED C=CCN(CCc1ccco1)C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 492064173 IDHWQVHRLQXRTA-UHFFFAOYSA-N 443.547 5.064 30 20 IKED Cn1c([C@H](C#N)C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)nc2ccccc21 496096963 ZYQNYQRLDOOINX-OAHLLOKOSA-N 437.286 5.557 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 500778466 GUEWQELBBIUDKZ-OAQYLSRUSA-N 445.523 5.545 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(COCc2ccccc2)cc1 500840851 LVOXIJKJMWROHT-UHFFFAOYSA-N 427.548 5.397 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CCCC[C@H]3OC(F)F)c2)cc1 502161438 FVFKMLCOHQZTDD-NHCUHLMSSA-N 429.467 5.004 30 20 IKED CC(C)OCc1cccc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 502634672 MPZVMOSKQBMHDZ-UHFFFAOYSA-N 429.520 5.901 30 20 IKED COc1ccc2c(CC(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)coc2c1 505619532 IJFFVAPNJWMEBA-UHFFFAOYSA-N 428.444 5.295 30 20 IKED CCN(C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 509564039 KHAXFZNSHSYXSJ-CPJSRVTESA-N 425.532 5.029 30 20 IKED C[C@@H](CCc1ccc(O)cc1)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509912760 QBJQUVHIJAFGFH-IBGZPJMESA-N 429.520 5.180 30 20 IKED CC(C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 510369578 PJBSYRABJLWEMX-XQBPLPMBSA-N 437.971 5.265 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2c2ccccc2Cl)cc1 511385755 VIQANNJNFCBKGF-VWLOTQADSA-N 445.950 6.354 30 20 IKED Cc1ccccc1C1(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)CCOCC1 512782704 JEHPTUCBBWJDIT-UHFFFAOYSA-N 426.516 5.133 30 20 IKED COc1cc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc(OC)c1 512798670 WCOAXQDBMUXCAN-QHCPKHFHSA-N 449.938 5.677 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2ccc(Cl)s2)n1 512983924 YXFQNEBXOUTHMW-UHFFFAOYSA-N 429.998 5.624 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2CCSc3ccccc32)cc1 514036855 VRPVRYDUGUDOOE-HSZRJFAPSA-N 431.536 5.646 30 20 IKED CC[C@@H](C)n1c(SCC(=O)Nc2cc(C#N)c3ccccc3n2)nnc1-c1ccccc1 514690466 RMWSRNHFFRDGSC-MRXNPFEDSA-N 442.548 5.067 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1 518320692 VBNHMWDCNWVWER-GOSISDBHSA-N 430.360 5.657 30 20 IKED Cc1ccc([C@@H](CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)N2CCCC2)o1 518399112 FRSCTWSWIJXORH-XMMPIXPASA-N 429.520 5.013 30 20 IKED Cc1ccc(-c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)on2)cc1 519433083 PPNQCPMRDAHWOU-UHFFFAOYSA-N 431.439 5.927 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 520729413 FRDNWRXEHKXGLI-OAQYLSRUSA-N 435.524 5.118 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2cccc(Br)c2)c1 520825015 QGGKRDSCEKZWAH-AWEZNQCLSA-N 441.354 5.139 30 20 IKED CCOc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c(C(F)(F)F)c1 521244558 RTXSKEFHOQIKEZ-UHFFFAOYSA-N 444.384 6.159 30 20 IKED CC(C)CC(=O)N[C@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccccc1 521328172 JSEXXHWZSJZUKK-VWLOTQADSA-N 427.504 5.193 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(CCN3CCCCC3)cc2)c1 523274356 CIFJKGRPAMIUKB-UHFFFAOYSA-N 429.520 5.011 30 20 IKED COc1cc(CS[C@@H](C)c2nc(C(C)(C)C)no2)ccc1OCc1cccc(C#N)c1 523935884 NGTHZPAMADPQRL-INIZCTEOSA-N 437.565 5.821 30 20 IKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)c12 524316963 JCHQQUJWMQHEHT-UHFFFAOYSA-N 428.492 5.529 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 527186912 UDNYVGPLKVYNAL-UHFFFAOYSA-N 426.516 5.308 30 20 IKED CCO[C@@H](C)c1nccn1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)CC)C2 534069555 QHUXIBWRMCSUJE-HOTGVXAUSA-N 428.602 5.094 30 20 IKED Cc1cc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)ccc1NC(=O)c1cccs1 536170204 SESKWUIHQBAHKG-UHFFFAOYSA-N 442.462 5.109 30 20 IKED COc1cc(CN[C@H](C)c2cccc(OC(F)F)c2)ccc1OCc1cccc(C#N)c1 540321049 SERJBGRFCLUQSW-QGZVFWFLSA-N 438.474 5.598 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 541096822 JAQSBFDMQCRZQC-MRXNPFEDSA-N 436.327 5.469 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3CCO[C@@H](c4ccc(F)cc4)C3)cc2)c1 541736545 VGMQZXPOSKORGW-XUZZJYLKSA-N 431.467 5.531 30 20 IKED C[C@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1nc(C(C)(C)C)cs1 542957587 PMXRHOXAHYBZEI-LBPRGKRZSA-N 428.949 5.034 30 20 IKED N#Cc1ccsc1NC(=O)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1 550731658 GDBHXDGRBHURNI-UHFFFAOYSA-N 431.395 5.008 30 20 IKED Cc1c(C(=O)N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)sc2ccc(C#N)cc12 556487683 CKYZKGQALCVMET-SFHVURJKSA-N 430.451 5.314 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)C[C@@H]1OCCc2ccccc21 560163805 OQAATJFACBLIDC-SANMLTNESA-N 441.531 5.223 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cncc(C(F)(F)F)c1 563833904 DQXPJVANXNRXCB-UHFFFAOYSA-N 430.270 5.410 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(CCCn3ccnc3)CC2)cc1 568436714 ZUIUAYZUHONVHQ-UHFFFAOYSA-N 429.524 5.271 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC(COc3ccccc3)C2)cc1Cl 572640425 LBQNYFSCVHYQKP-QHCPKHFHSA-N 431.923 5.538 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)c(Cl)c1 586833339 BZYVKJLXQDSICQ-UHFFFAOYSA-N 428.291 5.295 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cc2ccccc2n1CC#N 586841321 RIIMPXXCBMOSAK-UHFFFAOYSA-N 439.359 5.475 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1 592973737 JTOYTRJRGKCROF-IBGZPJMESA-N 443.528 6.089 30 20 IKED CCCOc1c(Cl)cc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1OC 602742442 PBJSJVRJDIHDOB-UHFFFAOYSA-N 427.913 5.385 30 20 IKED C[C@@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)C(=O)N[C@H](C)c1ccc(F)cc1 603818325 AWSQGWZWZFYQLO-HUUCEWRRSA-N 435.524 5.199 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCCN1C[C@@H](C)C[C@H](C)C1 609079309 VLSSWLOXEKCDBO-SFTDATJTSA-N 448.611 5.325 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 609430253 HDLTUKKNXZEUBW-KRWDZBQOSA-N 446.532 5.853 30 20 IKED COc1cc(C#N)ccc1OCCSCc1csc(COc2ccc(C)cc2)n1 610136732 MJXAVLWYVXHTDF-UHFFFAOYSA-N 426.563 5.223 30 20 IKED Cc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)n1 610331752 ZEKDGUFREJHFDK-UHFFFAOYSA-N 426.398 5.395 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc3c(cnn3C(F)F)c2)cc1 610966793 LGRMFHZNYGZKJU-UHFFFAOYSA-N 434.471 5.848 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(OCc4ccccc4F)CC3)cc2)cc1 611261224 SEFAMBVVHPDKME-UHFFFAOYSA-N 445.494 5.703 30 20 IKED CCN1CC[C@@H](NC(=O)c2c(Cl)cc(C#N)cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 611357497 SJFKETBGGYPGCC-MJGOQNOKSA-N 440.733 5.223 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)Nc3ccc(C4CC4)cc3)cc2Cl)c1 615150294 FIRGSQXNKVHQLO-UHFFFAOYSA-N 445.906 5.245 30 20 IKED CCOc1ccc(-n2c(S[C@H](C#N)c3ccc(Cl)cc3)nnc2-c2cccnc2)cc1 619863429 CMBVWMRPRXQAPV-OAQYLSRUSA-N 447.951 5.738 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 642280849 LIXUNBNCDBLCMP-AWEZNQCLSA-N 426.423 5.504 30 20 IKED CC(C)NC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 642281055 FFRBMBDFSFRLSR-GOSISDBHSA-N 438.940 5.483 30 20 IKED C[C@H](NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1OC(F)F 642796011 BUFKHEGTNFEDEL-HBNTYKKESA-N 448.354 5.558 30 20 IKED N#C[C@H](C(=O)c1cnc(-c2ccccn2)s1)c1nc2cc(C(F)(F)F)ccc2s1 677559054 CAEKQLXCMQHOPU-LLVKDONJSA-N 430.436 5.324 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCc1nnc(-c2c(Cl)cccc2Cl)o1 726639393 VZZDJPOQYKVWJI-IBGZPJMESA-N 446.290 5.062 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=S)Nc2ccc3c(c2)OCCCO3)cc1 727278004 CRTKCGPOWVMDNA-UHFFFAOYSA-N 447.535 5.258 30 20 IKED O=C(C1CCN(c2nc3ccccc3s2)CC1)N1CCCSC1=Nc1ccccc1 727295404 NCSHJWMJAWFFJI-UHFFFAOYSA-N 436.606 5.166 30 20 IKED CN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccc(Cl)c(Cl)c2)c2ccccc2c1=O 729463444 NJHSJBIIDLADTD-UHFFFAOYSA-N 449.341 5.331 30 20 IKED CC(C)COc1ccc(CC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 730395852 JIHKKAUVKLTQRR-QHCPKHFHSA-N 442.515 5.404 30 20 IKED Cn1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(-c2ccccc2Cl)n1 731165693 DITIDHWIZMWXAL-NRFANRHFSA-N 426.907 5.648 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC([C@H](O)c4ccc(Cl)cc4)CC3)c2)cc1 731832917 RAMBOKVIOJBQFH-RUZDIDTESA-N 446.934 5.590 30 20 IKED CC(C)c1ccc(-c2nc(CC(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)cs2)cc1 732107364 RJUYRVKGSHVFOA-FQEVSTJZSA-N 443.494 5.876 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2oc3c(ccc4ccccc43)c2C)ccc1OC 733229844 HNNINWZJJKNCPM-LJQANCHMSA-N 428.488 5.514 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)cc2)C[C@H](C)O1 734322915 PEYNWXYMHOXXKL-PMACEKPBSA-N 441.531 5.003 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 739154044 IABYLIIIDVZWHU-BEFAXECRSA-N 426.944 5.622 30 20 IKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740058786 BSGHTIDCVZRHCF-OAHLLOKOSA-N 432.574 5.799 30 20 IKED CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2CNCc2cc(C#N)ccc2F)cc1 742381980 VTZTWECDDNBQLZ-UHFFFAOYSA-N 440.522 5.627 30 20 IKED N#Cc1cc(NC(=S)NCCc2ccccn2)ccc1Oc1ccc(C(F)(F)F)cc1 743010254 BUVDWVAXXZFSJX-UHFFFAOYSA-N 442.466 5.293 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](CSc3ccccc3)C2)cc1 743096198 OFOBZAMIJDAVSB-CJFMBICVSA-N 427.573 5.988 30 20 IKED O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1C=NNc1ccc(Cl)nc1 743449642 BMKMVIGZRAULQU-UHFFFAOYSA-N 441.878 5.140 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCCC(F)(F)F)cc1 743734942 FBLPPWUNCAUSJP-GOSISDBHSA-N 449.498 5.298 30 20 IKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N[C@H](C)c4cccc(C#N)c4)cc3)ccc12 743776744 FUXCMYPOLZRTJR-GOSISDBHSA-N 438.483 5.043 30 20 IKED C=CCn1c(SCC(=O)O[C@@H](C)c2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1 748686417 XXQHUNPYKSFNME-HNNXBMFYSA-N 438.940 5.053 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)[C@@H](C)c1nc2ccccc2s1 748788647 UXGFUXVKWAAAJN-GFCCVEGCSA-N 442.470 5.759 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(Cn3nc(C)cc3C)c2)cc1 749047136 CTPBESZVLZNOAI-XDHUDOTRSA-N 428.536 5.023 30 20 IKED COc1ccc(/C=C(\C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1F 754158848 VDJUTMOVBPZEFZ-OBGWFSINSA-N 430.479 5.521 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cn1nc(-c2ccco2)n(Cc2ccco2)c1=S 765046660 GBCUWAITALCANG-RTWAWAEBSA-N 445.548 5.045 30 20 IKED Cc1ccc(Cc2nc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cs2)cc1 768781103 MNQLLQRVROEZQS-FQEVSTJZSA-N 425.513 5.157 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cnc(Cl)c2ccccc12 769196904 YKROWJKCXLQFKP-AWEZNQCLSA-N 439.924 5.078 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC(c3cccc(F)c3F)CC2)c1=S 769781121 DIGBDPMVOVEEQH-UHFFFAOYSA-N 441.551 5.167 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccnc(OC2CCCCC2)c1 772647508 ZFGBZRSWERKBBB-SFHVURJKSA-N 445.491 5.069 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc3ccccc3c2OC(F)F)ccc1OC 772979831 NOXSJAVSDFYNLL-APWZRJJASA-N 440.490 5.982 30 20 IKED O=C(O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccc(-c2cncnc2)cc1F 774129350 FDAJQKICCMYLTM-QGZVFWFLSA-N 444.306 5.762 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 774315740 ZAQSYNCLXASVMI-UHFFFAOYSA-N 437.499 5.436 30 20 IKED CC[C@@H](Cc1ccccc1Br)N(C)C(=O)Nc1ccccc1O[C@H](C)C#N 775723963 XLPADRCHFPRCBP-WBVHZDCISA-N 430.346 5.225 30 20 IKED COc1ccc(CNc2ccccc2O[C@H](C)C#N)cc1OCc1ccc([N+](=O)[O-])cc1 779995734 XLNKZKARHOYSHM-QGZVFWFLSA-N 433.464 5.085 30 20 IKED CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2O[C@H](C)C#N)cc1 780152679 GOYQYMKXNXDLEG-LJQANCHMSA-N 436.515 5.645 30 20 IKED O=S(=O)(Nc1ccccc1)c1ccc(NN=Cc2c(Cl)ccc3cccnc23)cc1 781121958 IUXSCPNGIRHLES-UHFFFAOYSA-N 436.924 5.135 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1nccc2ccccc12 792095614 VZWOZOMPTZYYIK-ICSRJNTNSA-N 438.314 5.023 30 20 IKED N#C[C@H](C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1nccc2ccccc12 792095925 YIURXCGUFSSUPM-HSZRJFAPSA-N 440.886 5.374 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)N(C)CC(F)(F)F 798816452 LVUVJTVKXPHGEJ-SKDRFNHKSA-N 436.286 5.176 30 20 IKED C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 800519940 ZZJUFDRFJWQRQQ-CPJSRVTESA-N 440.547 5.025 30 20 IKED O=C(/C=C\c1cc(C(F)(F)F)ccc1Br)c1ccc(N2CCOC2=O)cc1 811690254 YQOFGVPVQXRHLN-BAQGIRSFSA-N 440.215 5.321 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2nc(Cl)c(C#N)s2)cc1 813369021 DYVFGYXQYPCSTC-UHFFFAOYSA-N 436.924 5.396 30 20 IKED C=CCC(C)(C)CNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl 817457844 ZEEZMCOPADRIIT-UHFFFAOYSA-N 435.824 5.511 30 20 IKED COc1ccc(N[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)cc1Cc1ccccc1 857763709 OVXRBJKWYRKGMM-FQEVSTJZSA-N 443.547 5.042 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915086337 TZDVGBHPNZCAEH-LJQANCHMSA-N 445.881 6.350 30 20 IKED Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915180810 SBBKIJUTWIWQHC-NRFANRHFSA-N 427.891 6.211 30 20 IKED CCN(CC)Cc1ccccc1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915351567 FIMOSNPKTKTPMB-AREMUKBSSA-N 426.564 5.506 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccc(OC)cc2)c(C)s1 916926302 XNGBPQORSXIWOT-LJQANCHMSA-N 434.517 5.092 30 20 IKED N#C[C@@H](C(=O)c1cc(Cl)c2c(c1)OCCO2)c1nc(-c2ccc(Cl)cc2)cs1 916977111 JTKIANQAWWNGMM-AWEZNQCLSA-N 431.300 5.378 30 20 IKED CCCc1noc(CCCC(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)n1 917032726 RJPFKRDSWWMHCZ-JNYXMARXSA-N 438.597 5.146 30 20 IKED N#C[C@@H](C(=O)CCSc1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ccc2s1 917044608 TXJSEDZGLJGKQS-AWEZNQCLSA-N 440.899 6.327 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1csc([N+](=O)[O-])c1)C(=O)c1ccccc1 917142862 BEDHANGOGURNKJ-MOSHPQCFSA-N 434.517 5.686 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2sc(C(C)(C)C)nc2C)cs1 917560378 MQKJWHQBPOCXHG-XFXZXTDPSA-N 439.606 6.095 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccc(Cl)cc3Cl)n2)cc1 920142090 JYPOFQPVLJVEKZ-KRWDZBQOSA-N 431.344 5.935 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CNc3ccc(F)cc3)CCC2)cc1 1786103809 DTOKNKFMDHIRRM-UHFFFAOYSA-N 435.543 5.140 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)C4CCC(C(F)(F)F)CC4)cc3)CCC2)CCC1 1786592077 YBCIDQDYGUZBOR-UHFFFAOYSA-N 447.501 5.183 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3c(-c4ccccc4)noc3C)cc2)CCC1 1787267943 UEMPRESGMODCNM-UHFFFAOYSA-N 441.531 5.201 30 20 IKED Cc1ccc(S/C=C/C(=O)Nc2ccc(C3(NC(=O)C(C)(C)C#N)CCC3)cc2)cc1 1789490384 OJPARHZFVHCFMB-DTQAZKPQSA-N 433.577 5.285 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(C(F)(F)F)coc3C)CCC2)cc1 1791248196 UZWCALFWSOBLGA-AWEZNQCLSA-N 434.458 5.567 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1cccc(C(F)(F)F)c1)C2 1798332053 GEIMIAWKYGCTKN-AYGBXWCCSA-N 446.513 5.125 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccnc1 1810504810 HKCZCVCYXAVMMJ-RPBOFIJWSA-N 447.623 5.517 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CC2)C1 1823700826 ZMORTXITXXRNJX-HKTJVKLFSA-N 426.645 5.179 30 20 IKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)CCC3CCCC3)CC2)c1 1824052320 GQGHNHHTUPOMNO-SANMLTNESA-N 449.639 5.081 30 20 IKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccccc23)CC1 1828006719 QEYVNJUVTODCKQ-SANMLTNESA-N 448.607 5.056 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)ccc2F)CC1 1830552338 MKIQEECOSXJPQW-XMMPIXPASA-N 426.576 5.136 30 20 IKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](CCC)CC2)CC1)C(F)(F)F 1831562387 PDQCNRQQTDURML-HMXCVIKNSA-N 442.566 5.331 30 20 IKED Cc1c(C#N)c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nc2c1CCC2 22120658 NTSNXMZOSBHYGU-UHFFFAOYSA-N 426.756 5.441 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1/C(O)=N/c1nnc(Cc2ccccc2)s1 22739407 MQAMHUKWLNBQSM-UHFFFAOYSA-N 426.954 5.851 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc12 25437667 PNAUJIDEOOSIQC-UHFFFAOYSA-N 432.524 5.647 30 20 IKED O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)c1cccc(N2CCOC2=O)c1 63556761 JIDRFEKQYHKQKH-CCEZHUSRSA-N 449.510 5.451 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1Cl 107648049 KKDZLWSYVMPKRK-HSZRJFAPSA-N 443.934 5.370 30 20 IKED N#Cc1ccc(C(F)(F)F)c(N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)c1 302242850 PIUPGPBIOBAIHG-CYBMUJFWSA-N 439.363 5.023 30 20 IKED CCOc1ccc([C@@H]2CCCN2C(=O)CSc2nc(C)cc(C(F)(F)F)c2C#N)cc1 302845651 MZNYWWKXOBGBLH-IBGZPJMESA-N 449.498 5.135 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 303333775 WZHLNABDZAHXIQ-MRXNPFEDSA-N 449.605 5.127 30 20 IKED C[C@H](N/C(N)=N/Cc1ccc(NC(=O)c2ccco2)cc1)c1ccc(Cl)cc1Cl 303771059 CHUNLYPQYVGLEF-ZDUSSCGKSA-N 431.323 5.004 30 20 IKED N#Cc1ccc(CSCC(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)cc1 410047667 QLXXQKJMGSDYJK-AREMUKBSSA-N 428.557 5.022 30 20 IKED CC(C)(c1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1)C(F)(F)F 429236650 MYUIQEYNJBOUMG-UHFFFAOYSA-N 426.442 5.556 30 20 IKED C=C(C)COc1cccc(NC(=O)c2c[nH]c3c(Cl)cc(Br)cc3c2=O)c1 430545397 QEFAUFJIZPATNE-UHFFFAOYSA-N 447.716 5.151 30 20 IKED N#CCSc1cccc(C(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)c1 430744702 VMOGNJMUAUOHMV-XMMPIXPASA-N 441.556 5.532 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCOc3c(F)cccc3C2)cc1Cl 433241152 CWINYGGVYOIDIU-HXUWFJFHSA-N 435.886 5.561 30 20 IKED CC[C@H](NC(=O)N[C@H](c1cc(F)ccc1F)C(F)F)c1nc(C(F)(F)F)cs1 433607145 WBDQWTVOPAHHAP-CMPLNLGQSA-N 429.361 5.197 30 20 IKED CC(=O)c1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1C 434624278 GJBPHHFFCFCAKW-KRWDZBQOSA-N 429.328 6.118 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)cc1F 437492343 BTRQSMFFMMWXJY-RUZDIDTESA-N 443.478 5.182 30 20 IKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H]1Oc2ccccc2[C@@H]1C 438633633 ODPCVCCZZFEIJY-DGUDUIIESA-N 441.531 5.406 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(Oc4ccc(Cl)cn4)cc3)CC2)c1 438639373 WGQXDCQMRFOFTF-UHFFFAOYSA-N 448.910 5.474 30 20 IKED C=CCC[C@@H](NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccc(C(F)(F)F)cc1 441551439 NLLXWVSXTAQVBR-GOSISDBHSA-N 445.397 5.305 30 20 IKED C=CCN(CCc1ccco1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444019989 BCHSVRDIMFSLRY-KRWDZBQOSA-N 434.380 5.732 30 20 IKED N#CCCCn1cc(C(=O)Nc2cc(Cl)cc(Br)c2O)c2ccccc21 444329824 QLDLUPZRFOPDOQ-UHFFFAOYSA-N 432.705 5.319 30 20 IKED N#Cc1cccc(/C=C\c2nc(CC(=O)Nc3nc(-c4ccccc4Cl)cs3)no2)c1 445426900 MNIVWVRGZXQPIT-HJWRWDBZSA-N 447.907 5.070 30 20 IKED N#Cc1cc(F)c(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)c(F)c1 445517919 IUCMOPFGTOBEEN-UHFFFAOYSA-N 445.450 5.443 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CC[C@]2(CCCOC2)C1 460793609 MJMDIMWVCAWAFD-HHHXNRCGSA-N 444.579 5.107 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CC[C@@H](CSc3ccccc3)C2)cc1 464323548 HVAFUMTWPMQJBL-JOCHJYFZSA-N 444.625 6.105 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)nnn1-c1ccc(-c2ccccc2)cc1 464402578 LWHWHPVBNOIZRI-HXUWFJFHSA-N 447.420 5.147 30 20 IKED N#C[C@@H](C(=O)c1sc(-c2ccco2)nc1-c1ccccc1)c1cc(C(F)(F)F)ccn1 464418833 IJXQJDUIBNSFGD-OAHLLOKOSA-N 439.418 5.974 30 20 IKED COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 466045171 DBWJCELLSCIHIY-XNMGPUDCSA-N 441.531 5.192 30 20 IKED COc1ccc(-n2c(SCCCSCC#N)nnc2-c2ccccc2Cl)cc1 466608979 QXFXWDIAAPKSDV-UHFFFAOYSA-N 430.986 5.335 30 20 IKED COc1ccc2c(c1)CN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@@H](c1ccccc1)C2 470605720 JTLOVOQXINVRKD-RUZDIDTESA-N 425.532 5.828 30 20 IKED Cc1cccc(I)c1C(=O)Nc1ccccc1SC[C@@H](C)C#N 474690861 FYLUJSQEWXVQSA-LBPRGKRZSA-N 436.318 5.104 30 20 IKED N#Cc1ccc(-c2nnc(CN3CCC(=Cc4cc(Cl)ccc4Cl)CC3)o2)cc1 476986245 AYFOHHOURSAEET-UHFFFAOYSA-N 425.319 5.594 30 20 IKED O=C(NCc1cc(F)c(C(F)(F)F)cc1F)Nc1ccccc1CCC(F)(F)F 477089804 LKZMCQCKYNTDGI-UHFFFAOYSA-N 426.307 5.800 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F 478073920 XMMRNTCAFSSTHV-LJQANCHMSA-N 447.457 5.081 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 480567997 IPGQCEJZIOKOLP-IBGZPJMESA-N 431.561 5.054 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3Cc4ccccc4C4(CC4)C3)cc2F)c1 480613273 PXFBUTAIADKAQV-UHFFFAOYSA-N 427.479 5.356 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1nc2ccccc2n1C(F)F 481373152 MVNROJXKCDXDNN-UHFFFAOYSA-N 441.507 5.389 30 20 IKED C=C(C)[C@H](NCc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1)c1ccc(F)c(F)c1 481617711 WOONKUIVDLEDHY-QHCPKHFHSA-N 441.547 6.130 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C 484483215 BGCOEKPYVDNOPD-IBGZPJMESA-N 437.613 5.745 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 494026538 IZJBAOWWDCPKRZ-IBGZPJMESA-N 442.588 6.197 30 20 IKED C[C@@H](Sc1ccc(C#N)cn1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 495268036 QMWXCDVQUGNDCL-KUHUBIRLSA-N 436.924 5.058 30 20 IKED CC1(C)CN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@H](c2cccc(C(F)(F)F)c2)O1 497815788 AXKSGHVJMPGSSB-HXUWFJFHSA-N 428.454 5.253 30 20 IKED N#Cc1cc(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cnc1C(F)(F)F 497920413 DEIIJHVXLKXRMY-CYBMUJFWSA-N 441.253 5.024 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCC1CCN(Cc2cccs2)CC1 499523295 PSXGETRDWAMDOA-UHFFFAOYSA-N 447.629 5.413 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)cc1 502381579 XYZYNNLUOGDSLF-UHFFFAOYSA-N 430.508 5.238 30 20 IKED N#C[C@@H](NC(=O)c1cccc(OCc2cccs2)c1)c1cccc(Br)c1 502423931 IMODVXPPIIDYNP-LJQANCHMSA-N 427.323 5.084 30 20 IKED CC(=O)Nc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 503989171 HCBYYEHXOQQUPH-QFIPXVFZSA-N 432.911 5.276 30 20 IKED CC(C)Cn1ncc(NC(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)c1C(F)F 506725147 OIMNEAIDOCTKQH-CQSZACIVSA-N 426.336 5.180 30 20 IKED CCCc1noc2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)c12 508209957 FTLJSSJPDQDPPR-GOSISDBHSA-N 442.544 5.975 30 20 IKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2cccs2)c1)c1nc2ccccc2n1C(F)F 509571499 SKTMSTHAOQKAJY-HNNXBMFYSA-N 436.443 5.235 30 20 IKED C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509906209 VVXIYSYHKRWNHU-QGZVFWFLSA-N 435.474 5.835 30 20 IKED C[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509910999 LQOKUFXQQBXFDE-SFHVURJKSA-N 433.939 6.210 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 512302387 LZCBCCQEEGMNDP-UHFFFAOYSA-N 439.446 5.390 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2sccc2C#N)c(OC)c1 512950459 AZLGJWQSHCIGKR-UHFFFAOYSA-N 431.517 5.357 30 20 IKED N#C[C@@H](C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(C(F)(F)F)cn1 513210826 SJQVHMKZSBGVQK-LJQANCHMSA-N 446.881 6.536 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 517618605 QFYORGNARLDEIW-CQSZACIVSA-N 441.944 5.006 30 20 IKED COc1ccc2[nH]cc(CC(=O)N(Cc3cccc(C#N)c3)c3ccc(F)cc3C)c2c1 517685447 MVCLHYNXWRXUMP-UHFFFAOYSA-N 427.479 5.272 30 20 IKED Cc1nc(COc2ccccc2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cs1 521792304 HKEBTRONWTWIRP-UHFFFAOYSA-N 441.512 5.947 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 524392685 YLUHAWBAGHCJJH-MRXNPFEDSA-N 443.528 5.131 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)Cc1cccc(C#N)c1 531153479 KXMOFJJPTSPKBQ-ZDUSSCGKSA-N 440.366 5.173 30 20 IKED CC(C)(C)c1cnc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1 542124857 VIJZYXUKMDMFCQ-AWEZNQCLSA-N 448.329 6.403 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1nc(-c2ccccc2)cs1 542589900 HRGFOZIDSPMPRQ-DLBZAZTESA-N 436.606 5.351 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCO[C@H](c4ccc(F)cc4)C3)cc2)cc1 543564906 WBAZCUQGUPREDW-URXFXBBRSA-N 431.467 5.531 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](c2ccccc2OC)C1 549667784 GHRYKSXBHXYAFQ-FQEVSTJZSA-N 425.536 5.072 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 554103499 OUWMRZPGHJVJIE-UHFFFAOYSA-N 449.521 5.693 30 20 IKED Cc1nc(C2(NC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CCCCC2)no1 554429077 QROWXSJUNYSAJV-UHFFFAOYSA-N 445.523 5.118 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1nc(-c2cccc(C(F)(F)F)c2)oc1C 557606879 HPUNYXQCOIKQOB-UHFFFAOYSA-N 446.473 5.665 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 568031935 NVKPBSCKOGVFSS-MRXNPFEDSA-N 438.499 5.943 30 20 IKED N#CCCn1ncc(C(=O)Nc2cccc3cc(Br)cnc23)c1-c1ccccc1 569148658 ANTZEGVOCMCMJV-UHFFFAOYSA-N 446.308 5.027 30 20 IKED N#CCCCn1cc(-c2nc(CC(=O)Nc3cccc4ccccc34)no2)c2ccccc21 584864599 BAQYCJNPEOPOAK-UHFFFAOYSA-N 435.487 5.329 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cnn1-c1ccc(Cl)cc1 589469052 BNKTXGMXOMHBRD-UHFFFAOYSA-N 429.867 5.145 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccccc3CN3CCCCC3)cn2)c1 603692593 MLISCPIJOAQDSM-UHFFFAOYSA-N 441.535 5.053 30 20 IKED CC(C)c1nc(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cs1 608840793 CLZIICQLVKJUHO-HXUWFJFHSA-N 438.984 5.940 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(C(F)(F)F)nc2O)cc1Cl 609163828 AMTRHGTXLDFLRH-INIZCTEOSA-N 431.801 5.367 30 20 IKED CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609175868 KPABEWISPWKTQQ-QHCPKHFHSA-N 447.922 5.397 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 609427591 NKPVCGMMUBLNBA-DLBZAZTESA-N 436.606 5.546 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)CCCCOc1cccc(C#N)c1 609504782 GCKWSNWZXBILEA-INIZCTEOSA-N 437.540 5.556 30 20 IKED N#CCCN(C(=O)CCC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1)c1ccccc1 609763399 VGKACZCFWYOHCA-QHCPKHFHSA-N 437.971 5.511 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(Oc3cnccn3)c2)cc1 609906599 FIGQDIPBGIGXFT-UHFFFAOYSA-N 436.471 5.166 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCc3ccnc4ccccc34)cc2F)c1 609907410 TYVYUXBRBMVAKG-UHFFFAOYSA-N 425.463 5.396 30 20 IKED C[C@H](NC(=O)NC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1 610357854 VIWONPIWWTVMAP-AQKFKSFVSA-N 444.501 5.020 30 20 IKED N#C[C@H](C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)c1ccc2ccccc2n1 613290710 KIOLJIYQQARZRK-SFHVURJKSA-N 439.475 5.173 30 20 IKED COc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1 618542867 HSOBKZWXDIVBHZ-IUCAKERBSA-N 438.290 5.309 30 20 IKED N#C[C@@H](C(=O)c1cccc(Nc2ncccn2)c1)c1nc(-c2c(F)cccc2F)cs1 620304234 KRXJGMWDWSMMOS-HNNXBMFYSA-N 433.443 5.112 30 20 IKED N#C[C@@H](C(=O)c1cncc(Br)c1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 642281603 SUPFOPZHRYSNPY-CQMMPMSNSA-N 442.382 5.258 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCS[C@@H](c2ccccc2)C1 669816655 LXUFFALHTNDSES-ZRBLBEILSA-N 432.593 5.004 30 20 IKED C[C@H](CNC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 682406623 MYXCTMCNHHMYAF-WQAKAFBOSA-N 436.318 5.191 30 20 IKED Cc1cc(C(F)(F)F)ccc1CNC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 682418599 MCYKASLNBFRPME-STQMWFEESA-N 436.318 5.286 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@H]1C[C@H](c2ccccc2F)C1 684803415 VWHHYIJDOXFAMU-FDYHWXHSSA-N 426.376 5.280 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C 728062569 NMNYPDRBXXTADQ-NRFANRHFSA-N 441.575 6.317 30 20 IKED COc1ccc(OCc2ccccn2)c(C=NNc2ccc(Br)cc2F)c1 728432437 PNPLYELKEDBPIL-UHFFFAOYSA-N 430.277 5.017 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 731076310 BKYLOFHWGKKNRC-WTNAPCKOSA-N 444.556 5.519 30 20 IKED C=CCN1C(=O)N[C@H](c2csc(-c3ccccc3)n2)C(C(=O)Nc2ccc(F)cc2)=C1C 731423169 QGGXBFBLZZVSGJ-OAQYLSRUSA-N 448.523 5.114 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)c1nc2cc(F)ccc2s1 732597474 GFGWDNJUYDZMGG-BHDDXSALSA-N 442.515 5.994 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(-c3nc4ccccc4s3)o2)ccc1OC 733277849 LWWHZUQTVVJESD-INIZCTEOSA-N 447.516 5.176 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(OCc3cccc(F)c3)c2)c1 733843479 JHGLDFDLDPSUFI-JOCHJYFZSA-N 433.483 5.407 30 20 IKED Cc1ccc(OCc2cccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c2)cn1 733921131 NYFZNDBPAMBDSQ-MHZLTWQESA-N 433.511 5.877 30 20 IKED C=CC[C@H](NC(=O)NCCCCSc1ccccc1Br)c1ccncc1 734681468 VXEVGWDNDKBBAP-SFHVURJKSA-N 434.403 5.333 30 20 IKED Cc1cc(SCC(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)c(C)cc1Br 735791260 LQDLUMJUXDTMEX-AWEZNQCLSA-N 428.355 5.219 30 20 IKED CCOc1ccc(Cl)cc1C(=O)/C=C/c1csc(N(C(C)=O)c2ccc(C)cc2)n1 735978934 PQGWYDIWJCLKOE-DHZHZOJOSA-N 440.952 6.084 30 20 IKED CN(C)CCN(Cc1cccc(C#N)c1)C(=S)Nc1ccc(Oc2ccccc2)cc1 743828170 XZFDWDREONWAQL-UHFFFAOYSA-N 430.577 5.111 30 20 IKED C/C(=C/C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1C(F)(F)F 744063106 XOISSNUKMJOANQ-RXEWJAMOSA-N 437.446 5.980 30 20 IKED FC(F)(F)c1ccc(-c2nc(CON=Cc3ccc(N4CCOCC4)cc3)cs2)cc1 744180069 KDHCVJMSWOZMDW-UHFFFAOYSA-N 447.482 5.216 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)/C=C\c1cnc(C(C)(C)C)s1 744353759 DKHJDRFNOJSKEA-SREVYHEPSA-N 435.343 5.092 30 20 IKED COc1ccc(/C=C/C(=O)c2cccc(O[C@H](C)C(=O)O)c2)cc1OCc1ccccc1 745021903 UMUCZKPLOPUDRC-IYPOZPNPSA-N 432.472 5.022 30 20 IKED N#Cc1ccc(F)c(CNC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c1 745891620 WMJPOHUPMNTIPR-UHFFFAOYSA-N 443.309 5.311 30 20 IKED C[C@@H](c1ccccc1)N(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)Cc1ccccc1 746101803 RXSYZTQCZXSOTB-GBXCKJPGSA-N 432.527 5.487 30 20 IKED Cc1cc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1Br 746370358 JJQKEASZGCGMCK-UHFFFAOYSA-N 438.350 5.387 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2cccc(Cl)c2)cc1 750390812 BUFBSNBDSPEZCH-HSZRJFAPSA-N 446.934 6.218 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(CCC(F)(F)F)cc1 752477372 PBSDZXBDFXVUTI-AWEZNQCLSA-N 429.225 5.449 30 20 IKED CCOC(=O)Nc1ccc(N[C@@H](c2ccccc2)c2nc(-c3ccccc3)no2)cc1C#N 752799385 KVVZCCQIXSEGFR-QFIPXVFZSA-N 439.475 5.378 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2cnn(CCC(C)C)c2C(C)C)cc1C#N 752940321 DRCSQJHKTLFAOZ-UHFFFAOYSA-N 426.521 5.137 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCCc2cc(Cl)sc2Cl)cc1Cl 756232886 XZOWOVIOYBJOMV-LBPRGKRZSA-N 445.755 5.387 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccnc3Br)cc2Cl)c1 758209689 PGIMCGOHGWQDHO-UHFFFAOYSA-N 442.700 5.200 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3c(C(F)(F)F)ccnc3Cl)cc2F)c1 759787651 ZEFDNMXETONXNP-UHFFFAOYSA-N 449.791 5.596 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(-c3ccccc3)c(C)c2)ccc1OC 762946286 DSCOIWULXBKSEZ-QFIPXVFZSA-N 429.520 5.673 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(O)c(Br)c2)cc1 765907329 IEGSDXGLCCVJAI-IBGZPJMESA-N 436.309 5.132 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1 766624091 ZEYNJUWUFMPDEM-QLJPJBMISA-N 440.124 5.207 30 20 IKED CC(C)(c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C(F)(F)F 774053623 OZCRKQYPXCCPFZ-MRXNPFEDSA-N 443.252 5.794 30 20 IKED N#Cc1cccc(COc2ccc(NCc3ccc(C(=O)NC4CC4)cc3)cc2Cl)c1 779596406 VIPNJKJXNRSPSX-UHFFFAOYSA-N 431.923 5.295 30 20 IKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)C(=O)Nc3cccc(C)c3)c3ccccc3n2)cc1 780306523 YIRAESFPJKOOHL-HSZRJFAPSA-N 435.483 5.180 30 20 IKED N#CCc1cccc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2C(F)(F)F)c1 781376651 SKCRIIGCADITDA-HSZRJFAPSA-N 438.449 5.147 30 20 IKED C[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1ccc(-c2cccc(C#N)c2)cc1 782523177 IJLWVPAZMOREIO-UUOWRZLLSA-N 443.510 5.113 30 20 IKED CN(C(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1)c1cccc(C#N)c1 783927752 BHOLKKSDTJIGOZ-UHFFFAOYSA-N 448.548 5.229 30 20 IKED CC(C)(C)OC(=O)NCc1cccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1 786933911 DWZSSBNDWIBYGS-GOSISDBHSA-N 434.323 5.013 30 20 IKED Cc1cc([C@@H](CC(=O)OCC2(C#N)CCCCC2)NC(=O)OC(C)(C)C)cc(Cl)n1 788373094 KFPDCZMKPXVZPP-QGZVFWFLSA-N 435.952 5.017 30 20 IKED COc1ccc2c(c1)C(C)(C)/C(=C\c1csc(N(C(C)=O)c3ccc(F)cc3)n1)C2=O 788739915 UWAZFSNLKADCOG-NHDPSOOVSA-N 436.508 5.533 30 20 IKED C#CCn1ccc(CN(CC)C(=O)N[C@@H](c2ccc([C@H](C)CC)cc2)c2cccs2)n1 788852992 CZKUBWPEHOZGRG-DVECYGJZSA-N 434.609 5.412 30 20 IKED CC(C)(C)OC(=O)N1CCCc2c(C(=O)[C@@H](C#N)c3nccc4ccccc34)cccc21 792103518 SCOXDWKEPKLOHX-NRFANRHFSA-N 427.504 5.413 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](C)c2ccc(F)c3ccccc23)ccc1OC 806806974 RSGGZMFWJVLAJS-FUHWJXTLSA-N 435.499 5.229 30 20 IKED COC(=O)c1ccc([C@H](OC(=O)c2c(F)cc(C(F)(F)F)cc2F)C(F)(F)F)cc1 813079500 MTUYPOURDOUFAS-AWEZNQCLSA-N 442.258 5.231 30 20 IKED N#C[C@@H](C(=O)Cc1cccc(OCc2ccccc2Cl)c1)c1cc(C(F)(F)F)ccn1 813211934 TXVRSKVZFWYUPQ-LJQANCHMSA-N 444.840 5.752 30 20 IKED N#C[C@@H](C(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1)c1nccc2ccccc12 816045294 HVLQVXZAIDLLGG-HXUWFJFHSA-N 430.895 5.122 30 20 IKED COc1cccc(-c2nc(CON=C(C)c3nc4ccccc4n3C(F)F)cs2)c1 836978618 UASYCHCZTHLLKS-UHFFFAOYSA-N 428.464 5.504 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1 915085562 NPCWFZNKYDYYCZ-OAQYLSRUSA-N 444.491 5.262 30 20 IKED N#Cc1ccccc1NC(=S)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 915996760 AXFWKWQINSXWKA-UHFFFAOYSA-N 427.508 5.037 30 20 IKED CCCCc1oc2ccccc2c1/C=C\C(=O)[C@H](C#N)C(=O)Nc1ccc(OC)c(OC)c1 916935595 TVPUFQXXBUGTHU-CBUFDYBVSA-N 446.503 5.153 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 916947604 OFFXXOVTLRXFAS-IERDGZPVSA-N 443.503 5.315 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4cccc(F)c4)n3)n2)cc1 916972287 MOGPSPKZZHANMV-LJQANCHMSA-N 433.533 5.800 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)n2)cc1 916973028 SBBOONPYMNIWEM-PZJWPPBQSA-N 444.560 5.239 30 20 IKED N#C[C@@H](C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)c1nc2ccccc2n1C(F)F 917041800 WWNBGGYTCZJYGJ-LJLILKBBSA-N 439.771 5.993 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3ccc4cc(OC)ccc4c3)n2)cc1 920139390 SUPVSDFWUHFTQK-LWWUFZSGSA-N 440.524 5.870 30 20 IKED Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920140313 BLJYWTHPVQSKBY-LAUBAEHRSA-N 429.545 5.757 30 20 IKED Cc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cs2)o1 920143526 XDHYCVVISORVMV-QGZVFWFLSA-N 430.514 5.126 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(N2CCOC2=O)cc1 920977451 YPDAHZQKNHNRIS-KOSHJBKYSA-N 440.503 5.181 30 20 IKED C=C(Br)CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 921043480 SRBVPBGXWXAJTL-UHFFFAOYSA-N 427.707 5.038 30 20 IKED COc1cc(/C=C2\Cc3c(Cl)cccc3C2=O)c([N+](=O)[O-])cc1OCC(F)(F)F 921264410 SSJXZDLCUMEWCO-VZUCSPMQSA-N 427.762 5.020 30 20 IKED C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1589434786 VMDYAJYBVJAQCL-GOSISDBHSA-N 449.393 5.000 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CC[C@H](CCC)CC2)C1 1781911946 SOQWTSQYEBWPFQ-DVAKJLRASA-N 446.676 5.099 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)c(F)c(Cl)c4)CCC3)cc2)C1 1785809118 RXVVPVYOJMGEQA-UHFFFAOYSA-N 430.882 5.332 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc5cc(F)c(F)cc5[nH]4)cc3)CCC2)C1 1789229635 SNQZNKVHKLUIHF-UHFFFAOYSA-N 435.474 5.160 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3sccc3Cl)CCC2)cc1)C(F)(F)F 1791302841 ZMMZHQXBVRYSCZ-UHFFFAOYSA-N 428.863 5.268 30 20 IKED CCCCC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)cc(C(F)(F)F)c1 1800743426 MPJOAUSSBNIWMY-KQLYMOGASA-N 449.517 5.045 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C(C)=C/c2ccc(C)o2)n[nH]1 1819487662 LQKOQCZMBCAVAZ-DKXPKDADSA-N 436.556 5.175 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/C3CCCC3)n[nH]2)c1 1820902751 GEKPZVURMDZCAV-KXFVRWNPSA-N 445.567 5.089 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc(C(C)C)cs2)CC1 1825385457 IDRGDOMEPVVODJ-RBBKRZOGSA-N 443.657 5.268 30 20 IKED CC(C)=CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1830254057 SWWUZMAVXQCVMH-XMMPIXPASA-N 444.736 5.404 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc([N+](=O)[O-])cc1)=C(/S)Nc1ccc(Cl)cc1 10831734 XBMKUHZQJYOWBO-UHFFFAOYSA-O 440.932 5.149 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2ccccc2F)cc1 11169220 JXXNNZFECQHKCM-UHFFFAOYSA-O 448.370 6.033 30 20 IKED CC(=O)N(c1nc(COC(=O)/C=C/c2ccccc2C#N)cs1)c1cccc(C)c1C 11541705 WKIGNDMVUALTLG-VAWYXSNFSA-N 431.517 5.073 30 20 IKED Cc1ccccc1-n1c(SC[C@H](C#N)CCC#N)nnc1-c1ccc(Cl)cc1Cl 15245381 DIIPCEOKNLOGJU-HNNXBMFYSA-N 442.375 6.085 30 20 IKED Cc1ccc(Sc2ccc(NC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)cc2)cc1C 15726684 KLDJZMXIHCAZHN-UHFFFAOYSA-N 431.561 5.203 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)NC(C)(C)CC)nc2scc(-c3cccs3)c2c1=O 21953655 YFKMYPAJHXBHGQ-ZDUSSCGKSA-N 447.651 5.158 30 20 IKED C=CCN(C(=O)c1sc(C(C)(C)C)nc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 61113439 PQHUDEVAXSUCCB-UHFFFAOYSA-N 442.566 5.614 30 20 IKED CCOc1c(OC)cc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC 64706501 TXVNVHZWUKVXAU-UHFFFAOYSA-N 447.491 5.088 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)o1 97472947 PDLUMMCCKVDJGH-AREMUKBSSA-N 448.482 5.126 30 20 IKED Cc1c(CN2CCSCC2)cccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 97547917 DAQGCBPKSDAOTF-UHFFFAOYSA-N 443.572 5.460 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)c2cccc(OCc3ccccc3C#N)c2)c(OC)c1 108847662 DRIIIRYUWBPXFQ-RUZDIDTESA-N 442.515 5.132 30 20 IKED N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCO[C@H](c2ccc(Br)cc2)C1 195670032 JEDZLRZNWLCWAC-KRWDZBQOSA-N 446.707 5.239 30 20 IKED CC(=O)Nc1ccc(/C=C2/CC[C@H](C3CC3)/C(=C/c3ccc(NC(C)=O)cc3)C2=O)cc1 303833946 PDJGAMVUIDPEHA-GQVHETMGSA-N 428.532 5.460 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3c[nH]nc3-c3ccc(Cl)s3)n2)cc1 426505261 VAUFTILEMNUYKJ-CYBMUJFWSA-N 435.921 5.277 30 20 IKED N#Cc1cc(NC(=O)c2ccccc2CSc2nc[nH]n2)ccc1Oc1ccccc1 428358613 HQIJCCYYXUKZFL-UHFFFAOYSA-N 427.489 5.013 30 20 IKED Cc1c(C#N)cccc1NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 432261562 DPNKBAMOAXCLRQ-WIYYLYMNSA-N 430.474 5.090 30 20 IKED N#Cc1ccc(Cc2cnc(NCc3ncc(C(F)(F)F)s3)s2)c(C(F)(F)F)c1 432733487 FULALRRLSXEJQS-UHFFFAOYSA-N 448.417 5.712 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@H](c3cccc(Cl)c3)C2)cc1 432899263 KXVRYHFQAXTKST-NRFANRHFSA-N 445.950 6.006 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 438051273 GHLSFWRHUIKAPP-KBPBESRZSA-N 425.489 5.153 30 20 IKED COc1cccc(-c2noc([C@@H](C)NC(=O)Nc3ccccc3S[C@@H](C)CC#N)n2)c1 438070556 FCHCDTIBIHZXQR-LSDHHAIUSA-N 437.525 5.022 30 20 IKED COc1ccccc1C[C@H](C)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438671402 NEPVCYNFPIFMQW-KRWDZBQOSA-N 433.483 5.593 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1)c1ccc(C#N)cc1 438813376 XHARYJIONWLBIF-QZTJIDSGSA-N 429.545 5.227 30 20 IKED CC(C)N(Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(-c2cccc(F)c2)s1 441203724 JHFBTUKQXIOOFV-UHFFFAOYSA-N 432.524 5.886 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccc(C(=O)N(C)C)cc1OC)c1ccc(C(F)(F)F)cc1 442214789 NNSBRESUWGWKPR-GOSISDBHSA-N 449.473 5.245 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(CCO)[C@@H]2CCc3ccccc32)cc1Cl 444031023 HJBJCRWCXNWBDN-ILBGXUMGSA-N 445.950 5.509 30 20 IKED C[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1nc2ccccc2n1C(F)F 444669476 DBZHSIIITCNNEE-CABCVRRESA-N 443.523 5.115 30 20 IKED N#CCCCn1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c2ccccc21 447518696 DKDXBEPREONUGR-HXUWFJFHSA-N 435.512 5.430 30 20 IKED COc1cc(C)c(Br)cc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 462853972 RQGDQZGXXPYXTR-QFBILLFUSA-N 428.330 5.070 30 20 IKED C[C@@H](Nc1ccc(-c2sc(CC(N)=O)cc2Br)cc1)c1ccc(C#N)cc1 465413595 SPESYPNCHUUDQK-CYBMUJFWSA-N 440.366 5.250 30 20 IKED COc1cccc(F)c1[C@H](C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 466117883 OLTAGRBXRWOGPG-KRWDZBQOSA-N 433.483 5.362 30 20 IKED Cc1ccc(O[C@H](C)CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 466164108 FYOHHUOWGGKLPY-HXUWFJFHSA-N 429.520 5.229 30 20 IKED COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)Nc1ccccc1S[C@H](C)CC#N 470361624 DZTSGJXIVUEQQR-HUUCEWRRSA-N 433.961 5.792 30 20 IKED CN(C(=O)c1cc2nccnc2cc1F)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 471102265 WOKQDIILXAVUFS-MRXNPFEDSA-N 431.311 5.163 30 20 IKED Cc1ccc(SCC(F)(F)F)c(NC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)c1 471912516 WLZSBQXKIURLIR-QGZVFWFLSA-N 448.514 5.080 30 20 IKED CCN(C(=O)Cc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1)c1ccccc1 474949708 VBDBWAYNAFMTTJ-HSZRJFAPSA-N 425.532 5.308 30 20 IKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 478517491 MOEYDCUMSGSNHX-UHFFFAOYSA-N 440.952 5.134 30 20 IKED C=CCn1c(SCC(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1ccccc1C 479608908 JPMJQAFTPSPBGK-UHFFFAOYSA-N 442.972 5.141 30 20 IKED Cc1c(C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)sc2ccc(C#N)cc12 480102035 YWTBHJVDUSTWHK-UHFFFAOYSA-N 428.304 5.221 30 20 IKED CC(C)CN(C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@H]1CCCc2cccnc21 480221425 UFHZXILSSZBDLO-IBGZPJMESA-N 446.473 5.462 30 20 IKED CCCc1c(NC(=O)Nc2cnn(CC(C)C)c2C2CC2)cnn1-c1cccc(C#N)c1 482477284 MVXCPVFUDRPXNI-UHFFFAOYSA-N 431.544 5.070 30 20 IKED CC[C@@H](C)n1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C 482578272 GODPPVDNAHAJHU-IAQYHMDHSA-N 433.364 6.083 30 20 IKED N#C[C@@H](C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)c1cnc2ccccc2n1 483217641 DNVUMOHSYKPAPC-LJQANCHMSA-N 441.922 5.228 30 20 IKED CC(C)(C)n1cc(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)c(-c2ccccc2Cl)n1 483228096 KZJQGXIHVMTABZ-INIZCTEOSA-N 429.911 5.392 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(COC(F)(F)F)cc3)n2)cc1 483511117 BWMZDCCQCHWGPI-KRWDZBQOSA-N 432.423 5.345 30 20 IKED C=CCN(CC1CCCCC1)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 483707362 WCXQLTDXJCAWGZ-UHFFFAOYSA-N 429.568 5.212 30 20 IKED CC(C)c1c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cnn1-c1ccccc1Cl 485517756 IKSCMWYYFDEIPB-INIZCTEOSA-N 438.984 6.153 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 485780173 BYHUBGXYOZEMQG-UHFFFAOYSA-N 438.886 5.824 30 20 IKED Cc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1C(=O)N(C)C(C)C 488174811 IODNYRROADZHAO-UHFFFAOYSA-N 441.531 5.178 30 20 IKED C=C[C@H]1CCCCN1C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 488868489 JWXKXUYVHKIDGT-DGDHUYAWSA-N 433.533 5.702 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1-c1cccc(OC)c1 488873747 CXCYDNINNMSUPN-HNNXBMFYSA-N 442.972 5.221 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 490784298 NNYWLADVAICZSD-QMMLZNLJSA-N 426.442 5.253 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(CCCC3(C#N)CCOCC3)C2)n1 499736097 UEFFOYXTXMONHK-LJQANCHMSA-N 425.598 5.099 30 20 IKED CN(C)c1ccc2cc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)ccc2n1 501909764 VGJRMAHQPBFRHO-UHFFFAOYSA-N 438.556 5.717 30 20 IKED C=CCN(C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2)c1nc(C(=O)OCC)cs1 501945478 IQQXTHANXNYXLL-OAHLLOKOSA-N 432.611 5.365 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 502285109 CPDFNLCBWFJOCM-UHFFFAOYSA-N 439.544 5.085 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCCNC(=O)c1ccc(F)cc1F 502747827 RLZMXVJCFAVAIP-UHFFFAOYSA-N 449.457 5.086 30 20 IKED C=CCc1cc(CNC(=O)C(C)(C)c2csc(-c3cccs3)n2)cc(OC)c1OC 503465050 USZMVENLPZWJTG-UHFFFAOYSA-N 442.606 5.211 30 20 IKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 504775423 MCCKJWPZVALREG-HNNXBMFYSA-N 433.449 5.152 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@]1(Cc2ccc(Cl)cc2)CCOC1 505325986 QZNCKMXXGWLGCC-KSFYIVLOSA-N 429.973 5.258 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(-c4ccc(F)c(F)c4)s3)n2)cc1 505716510 IZRRXNCWFCNWNQ-HNNXBMFYSA-N 448.479 5.574 30 20 IKED N#C[C@@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)c1cccc(C(F)(F)F)c1 505923622 WPDXTIRMMQCRNS-QGZVFWFLSA-N 435.858 5.406 30 20 IKED C[C@H](S[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NCC(F)(F)F 506232958 NBBHNQZWXLXXLO-SFYZADRCSA-N 427.332 5.585 30 20 IKED CN(Cc1ccccc1Cl)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510237153 OOZHRRJBDFNXBF-UHFFFAOYSA-N 429.958 5.019 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](CC(F)(F)F)c2ccccc2)cc1 510662525 LXWCYONALZBOOJ-HXUWFJFHSA-N 431.458 5.316 30 20 IKED C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 510999282 MXNDEBUPCMYONZ-HNNXBMFYSA-N 432.351 5.049 30 20 IKED CCN(C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@H](C)c1cc2ccccc2o1 511416338 VRRVSINYQNDNNU-MDMXATFFSA-N 432.524 5.182 30 20 IKED COc1cc(CNc2ccn(-c3cccc(F)c3C#N)n2)ccc1OCc1cccs1 512377772 KMUKAKQVJALMGM-UHFFFAOYSA-N 434.496 5.144 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 512679986 FOOVWOTXTRUGDQ-INIZCTEOSA-N 433.483 5.017 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 512699138 IPWHEZAQQBMDMV-UHFFFAOYSA-N 449.485 5.547 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2nc(CN3CCCCCC3)cs2)c1 513730011 IBFAXPMKNOCQAC-UHFFFAOYSA-N 446.576 5.222 30 20 IKED COc1ccc([C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c2ccc(C)cc2)cc1 517778196 VSTBEYMAHKJOQJ-SANMLTNESA-N 427.548 5.585 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccc(F)cc2)cc1 519449102 VEVITCIIPIGTAO-OSPHWJPCSA-N 449.551 5.997 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccnc(-c3cncs3)n2)cc1Cl 519564404 RMFZEHWQDRZZIM-UHFFFAOYSA-N 433.880 5.170 30 20 IKED C[C@@H](SCC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1nc2ccccc2[nH]1 521235558 NFCBJCDXZNXDHB-MRXNPFEDSA-N 428.517 5.660 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cnc(C4CC4)s3)s2)c(C(F)(F)F)c1 521469207 BAARYJUVXRJRPJ-UHFFFAOYSA-N 434.468 5.211 30 20 IKED N#Cc1ccccc1COc1cccc(CNCc2cc(Cl)c3c(c2)OCCCO3)c1 521822750 LCDYFMGYJJKHHX-UHFFFAOYSA-N 434.923 5.242 30 20 IKED C=CCc1cc(CNC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc(OC)c1OC 522114812 FKDQTMGPZJUEBG-LJQANCHMSA-N 437.565 5.089 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)N[C@H](c1ccccc1)C(F)(F)F 522430289 QVDNNRQHSSKKCO-OAHLLOKOSA-N 438.343 5.529 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1c1ccc(F)cc1 524439914 PCLAKZBMRWOYMJ-RUZDIDTESA-N 429.495 5.954 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 524564984 BDHSWRHRZMIGHB-INIZCTEOSA-N 448.514 5.311 30 20 IKED COc1ccc(C[C@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cc1OC 525077828 LQBBRZKDAUEONM-KRWDZBQOSA-N 432.545 5.088 30 20 IKED C[C@H](NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1ccc(OCc2cccnc2)cc1 531230064 IMFLDTYKECMWHN-GKBBYZSKSA-N 440.547 5.203 30 20 IKED C=C(C)Cn1c(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)nnc1-c1ccco1 532453728 MFGZDWKHGKCIPX-UHFFFAOYSA-N 447.442 5.475 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 532991076 UTOMIWUZJRZOJI-WZONZLPQSA-N 435.955 5.093 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1ccc(C#N)c(C(F)(F)F)c1 542005067 OLSHWFVQUVZGTR-CYBMUJFWSA-N 435.496 5.560 30 20 IKED Cc1ccc(C(=O)c2ccccc2C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1 542130654 HNYBIRQEOZPLRF-IBGZPJMESA-N 429.426 5.461 30 20 IKED Fc1ccc([C@@H](NCc2cnn(CC(F)(F)F)c2)c2ccc(C(F)(F)F)cc2)cc1 542834803 VCWSOLDTKDGODN-SFHVURJKSA-N 431.355 5.483 30 20 IKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)N1CCC(C#N)(c2ccccn2)CC1 548795484 DEOBTNWFIJOGJA-OAQYLSRUSA-N 440.547 5.619 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](c2ccccc2OC)C1 549285090 DTPIPWIPLKEMNX-VTZPFEBOSA-N 444.579 5.102 30 20 IKED C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 549690986 QEKLPEFIYUIJSW-KRWDZBQOSA-N 447.514 5.194 30 20 IKED CC(C)Oc1ccc([C@H](CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)N(C)C)cc1 558345803 XZTRISFLIDPAJS-AVRDEDQJSA-N 440.613 5.292 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cncc(C(F)(F)F)c1 564153852 VZFCGGVQTRSGTA-ZDUSSCGKSA-N 430.270 5.543 30 20 IKED C=CCOc1ccc(CNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1 571070763 BQUOWZRKTZAMOR-JOCHJYFZSA-N 448.485 5.237 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3CCSc4ccc(C(F)(F)F)cc43)CC2)c(F)c1 573131879 AEULERIZKPAPDX-UHFFFAOYSA-N 449.473 5.071 30 20 IKED CC(=O)Nc1ccc(-c2noc([C@H](F)c3ccc(C(F)(F)F)cc3)n2)cc1C(F)(F)F 579161836 UCMBPPBQDACIIA-OAHLLOKOSA-N 447.310 5.792 30 20 IKED CCCc1noc2nc(C3CC3)cc(C(=O)N(Cc3ccco3)c3ccccc3C#N)c12 603739153 GUXYRZBFQJZZNI-UHFFFAOYSA-N 426.476 5.364 30 20 IKED Cc1nc(SCC(=O)NCc2ccccc2COCc2ccccc2)c(C#N)c(C)c1C 603742690 IZVKZIZHHXSHQH-UHFFFAOYSA-N 445.588 5.004 30 20 IKED COc1ccc(-n2c(S[C@@H](C#N)Cc3ccccc3)nnc2-c2ccccc2OC)cc1 604042434 SZVBMMBWNSKHDS-OAQYLSRUSA-N 442.544 5.178 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(Oc3ccc(F)cc3F)CC2)cc1 604364096 JDEYYRFWUJDWIR-UHFFFAOYSA-N 449.457 5.704 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(Oc4cccc(Br)c4)nc3)[nH]c12 605362516 IERGDYLUOFVAMF-QGZVFWFLSA-N 447.292 5.311 30 20 IKED O=C(Nc1ccc(F)cc1OCC(F)(F)F)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F 607308534 GYZSHKPFQUJPKJ-QWHCGFSZSA-N 437.311 5.408 30 20 IKED COCCN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccccc1S[C@H](C)CC#N 609437054 MMBJJRXMGJQPMQ-OAHLLOKOSA-N 435.952 5.554 30 20 IKED C[C@H]1CCC[C@@H](OCC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)C1 609576132 SLWQEDXUEIWWIC-XJKSGUPXSA-N 437.487 5.158 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc(O)nc4ccc(F)cc34)cc2Cl)cc1 609969214 LJLKLSGKRNHBAQ-UHFFFAOYSA-N 433.826 5.649 30 20 IKED Cc1ccccc1[C@@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CCO1 610323881 UQJKXQAMRIACIM-VWLOTQADSA-N 445.494 5.190 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC3(CC2)OCc2ccccc23)c1 610742036 VDKOMXUMFPQEHE-UHFFFAOYSA-N 444.918 5.666 30 20 IKED C[C@@]1(C#N)CCCN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 612365839 AIPDMQZPLQDLIW-OXRVHCRPSA-N 446.532 5.287 30 20 IKED CC(C)NC(=O)Nc1ccccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 613320410 YANHYBWMYXYIRG-KRWDZBQOSA-N 438.940 5.483 30 20 IKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)C2CCCCC2)nnc1-c1ccncc1 613905149 AJVBWKKXSLHPQJ-HSZRJFAPSA-N 447.608 5.056 30 20 IKED N#Cc1ccc(CNc2cnn(-c3cccc(C(F)(F)F)c3)c(=O)c2Cl)cc1Cl 619747402 ZHMVSOQRVBYTQT-UHFFFAOYSA-N 439.224 5.042 30 20 IKED CCC(=O)c1ccc(OCC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1 642077066 QQGMCHFAYLCOCB-UHFFFAOYSA-N 430.479 5.211 30 20 IKED O=C(c1cc(Cl)cc(F)c1Br)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 670801630 BJOSOFQBMGISGJ-HTQZYQBOSA-N 442.556 5.054 30 20 IKED O=C(Nc1cccc(C(F)F)c1)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 673656254 IHWVOQNQMKCPPB-UHFFFAOYSA-N 449.301 6.100 30 20 IKED C[C@@H]1CN(c2ccc(NC(=O)c3ccccc3SCC#N)cc2C(F)(F)F)C[C@@H](C)O1 728037508 JDEZZGJGDGJWQC-HUUCEWRRSA-N 449.498 5.187 30 20 IKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)OCc1ccc(F)cc1C#N 728613235 XGRMXHKUCAWTAT-UHFFFAOYSA-N 430.435 5.391 30 20 IKED CCN(C)c1ccccc1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 730380382 AUSALLCPGSXISG-UHFFFAOYSA-N 430.508 5.137 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2cc(Cl)ccc2o1 731064815 YYJVOWGJYPHSJO-CYBMUJFWSA-N 428.897 5.133 30 20 IKED Cc1cc(C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)c(C)n1[C@@H](C)c1ccccc1 731196371 CZIHJZXOODBQRR-AOMKIAJQSA-N 441.453 5.608 30 20 IKED O=C(/C=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)nc1O 731564544 JKLPQDNQGIYECH-QPIMQUGISA-N 448.328 5.542 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2sc3cc(F)ccc3c2Cl)ccc1OC 733228925 RWPMCMNEOPMYIZ-CQSZACIVSA-N 432.904 5.313 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)ccc1OC 733277694 NSDAVULBDZLQBQ-CYBMUJFWSA-N 432.307 5.094 30 20 IKED C[C@H](Oc1ccc(F)cc1Cl)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 733681286 SILUEGAOVOAITM-JOYOIKCWSA-N 442.821 5.751 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)c1 733770174 DWKSQVKAZSTFRU-IBGZPJMESA-N 443.528 5.681 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)c1 733771993 VGKCXASPWVSZCS-MVNQZMKCSA-N 440.543 5.366 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(-c4ccc(Br)cc4)n3C)[nH]c12 735792294 KLNWSXXCHOOWNQ-INIZCTEOSA-N 433.309 5.129 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCCCC[C@@H]2c2ccco2)cc1 737316978 WPRRWKUBYHLRDL-XZOQPEGZSA-N 427.504 5.017 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)COc3ccc(Oc4ccccn4)cc3)c2)s1 739590676 MROMKYDHNZDLNZ-UHFFFAOYSA-N 441.512 5.169 30 20 IKED Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1C 741819502 MUXVPGAVRKOUID-LJQANCHMSA-N 444.556 5.651 30 20 IKED COc1ccc(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(Cl)c1Cl 742028717 CDIBNMNQZPOLOH-KRWDZBQOSA-N 447.343 5.458 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2nc(C(C)C)n(-c3ccccc3F)n2)cc1 744032580 HFECEBIMTXIKTE-VQIMIIECSA-N 447.514 5.004 30 20 IKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2cn(CCC#N)c3ccccc23)cc1 744806929 BVWFUXCKNOIPRS-UHFFFAOYSA-N 444.564 5.020 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(-c3ccncc3)cc2)cs1 745990228 OKAKSQFTOJRFCT-FMIVXFBMSA-N 439.540 6.094 30 20 IKED N#Cc1ccc(C(=O)COC(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 749628087 UXHOJUAZESZJGW-UTCJRWHESA-N 427.300 5.035 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@H]3c3ccc(Cl)cc3)c2)cc1 752188847 NCQNUUYUTGDCIF-DEOSSOPVSA-N 431.923 5.964 30 20 IKED CC(=O)N(c1nc(COC(=O)c2cc(C#N)cs2)cs1)c1c(C)cc(C)cc1C 752585745 CDXIVVXLHDWMCH-UHFFFAOYSA-N 425.535 5.043 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1cc(F)c(C)cc1F)[n+]1ccc(C(CC)CC)cc1 753977837 TVUSKNWLUVAPPV-UHFFFAOYSA-O 431.572 5.841 30 20 IKED O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1ncc(Br)s1 756846317 HURWZRRQICMJBT-HJWRWDBZSA-N 447.741 5.707 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3nc(Cl)ccc3F)s2)c(C(F)(F)F)c1 758509725 ARBAYOWSUMOZOS-UHFFFAOYSA-N 440.809 5.064 30 20 IKED CC(C)Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(F)cc3OCC#N)CC2)cc1 761665312 RXMLPVIAHPQCCW-UHFFFAOYSA-N 437.515 5.053 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN(CCc2ccc(C)cc2)CC(F)(F)F)c1=S 765035301 FVSUDRAAUIZIIM-UHFFFAOYSA-N 447.530 5.035 30 20 IKED C=CCn1c(-c2ccccc2C)nn(CN2CCC3(CC2)OCc2ccccc23)c1=S 765080658 RJVGOAZDJVAOKS-UHFFFAOYSA-N 432.593 5.055 30 20 IKED Fc1ccc(-c2nc(C=Nn3c(S)nnc3SCc3ccccc3)cs2)cc1 767185126 QJELXMPKXWNVDT-UHFFFAOYSA-N 427.555 5.004 30 20 IKED O=c1c2cc(Br)ccc2ncn1N=Cc1ccc(-c2ccc(Cl)cc2)s1 767308882 PVMVSLHWZFFUNS-UHFFFAOYSA-N 444.741 5.423 30 20 IKED C[C@@H]1CCCN(c2ccc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)cc2[N+](=O)[O-])C1 770123255 BBGZOSLLNVXSPT-CJNGLKHVSA-N 438.484 5.070 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(NC(=O)OC(C)(C)C)c(C)c2)cc1 772554074 LXHAUWLYGOEGLI-IIBYNOLFSA-N 449.551 5.817 30 20 IKED C#CC[C@H](OC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C)c1ccccn1 777313974 KNPRLGBSYXKEPQ-QHCPKHFHSA-N 428.492 5.205 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CSc3cc(C)c(C)cc3C2=O)cs1 777470899 WVJRQSSRSAHHRF-WOJGMQOQSA-N 434.586 6.125 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1oc2ccccc2c1COc1ccccc1Cl 780161247 ALWCKQGJLIAKFL-MRXNPFEDSA-N 446.890 6.208 30 20 IKED N#Cc1ccc(CNc2cc(C(F)(F)F)nc3c(F)cc(Br)cc23)nc1 780609167 CVKYTSYSGMUNEJ-UHFFFAOYSA-N 425.183 5.034 30 20 IKED C=CCOc1ccc(/C=C/C(=O)O[C@@H](C)c2nnc(-c3ccccc3F)s2)cc1OC 781899569 USEVODGYUKPQQW-PABFRNLHSA-N 440.496 5.235 30 20 IKED CC(=O)c1ccc(Oc2ccc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cc2)cc1 783352777 IDGMWGHMMMJMOF-VWLOTQADSA-N 448.478 5.796 30 20 IKED O=C(CN[C@@H](c1cccc(F)c1F)C(F)(F)F)Nc1ccc(SC(F)F)cc1 784315594 BFYCKESTZUTEGZ-HNNXBMFYSA-N 426.357 5.111 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CC[C@H](c4cccc(C(F)(F)F)c4)C3)o2)cc1 784527329 LJOLWVOHFWUSDG-SFHVURJKSA-N 440.421 5.379 30 20 IKED C=CCn1c(-c2ccccc2F)nn(CN2CCC(OCc3ccccc3)CC2)c1=S 798220399 ZSPYMLYQCHHPNH-UHFFFAOYSA-N 438.572 5.045 30 20 IKED CN(C)c1ccc([C@H](CNC(=O)/C=C\c2ccccc2C#N)c2c[nH]c3ccccc23)cc1 799649788 MIMDXHRXCOZHHG-KRYZVCHRSA-N 434.543 5.067 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2cc(Cc3ccccn3)ccc2C)cc1C#N 801640505 PVCCWFPGZVQWAC-UHFFFAOYSA-N 429.480 5.065 30 20 IKED C[C@@H](Nc1nc(Cl)c(C#N)s1)c1ccc(CNc2nc(Cl)c(C#N)s2)cc1 804611084 GJOVUTKIFMKSEY-SECBINFHSA-N 435.365 5.435 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 810822118 NAWLBWFGPWEIHF-UHFFFAOYSA-N 444.491 5.274 30 20 IKED CCC(CC)c1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)NC2CCC2)cc1 814186845 UGXYLZHPECBZHJ-UHFFFAOYSA-O 440.633 5.225 30 20 IKED O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)OC(C(F)(F)F)C(F)(F)F 816218287 LEBGWIQRZZYXCP-UHFFFAOYSA-N 437.283 5.408 30 20 IKED Fc1ccc(OCc2nnc(S)n2N=Cc2c(-c3ccccc3)[nH]c3ccccc23)cc1 839415472 LNMMSKXZWPRTRC-UHFFFAOYSA-N 443.507 5.315 30 20 IKED CSc1cccc(N2C[C@@H](C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2=O)c1 915086161 HWSIFLXMUNGWDE-GBXCKJPGSA-N 441.556 5.056 30 20 IKED Cc1ccc(-c2nc(CC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cs2)o1 915101232 FAOYYWBLDLJUSA-INIZCTEOSA-N 439.949 5.907 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)cc1 916955744 UEXYLRZGTLJIGL-IVZQSRNASA-N 448.954 5.617 30 20 IKED N#C[C@H](C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995665 CALBFMFXFSMSDY-MISXGVKJSA-N 447.309 6.662 30 20 IKED C=CCn1c(=S)n(CN2CCC(C(=O)c3cc(F)ccc3F)CC2)c2ccccc21 917461581 XYVIYVXTYSTMMQ-UHFFFAOYSA-N 427.520 5.189 30 20 IKED CCOC(=O)c1c(NC(=O)c2ccccc2OCC#N)sc(C)c1-c1ccc(F)cc1 919990833 PSAKOMXVKIYWKK-UHFFFAOYSA-N 438.480 5.194 30 20 IKED COC(=O)c1sc(-c2ccccc2Cl)cc1NC(=O)c1ccccc1OCC#N 920004370 GENRIWZOMPQPMC-UHFFFAOYSA-N 426.881 5.010 30 20 IKED CCCOc1ccc2c(c1)C(=O)/C(=C\c1csc(COc3ccc(OC)cc3)n1)CO2 920069556 UBBLFONXPXDMKN-WJDWOHSUSA-N 437.517 5.178 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccc(-c4ccccc4F)o3)n2)cc1 920143627 YXFXAXFZTLZVJU-HXUWFJFHSA-N 441.487 5.890 30 20 IKED Sc1nnc(-c2ccccc2Br)n1N=Cc1ccccc1OC1CCCC1 920365996 DUODXLCSJRSZOP-UHFFFAOYSA-N 443.370 5.200 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Nc3cccnc3)CCC2)cc1 1785841916 DFWIYAVTUQEZBJ-IBGZPJMESA-N 434.584 5.009 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@H]3CCCCC3(F)F)cc2)CCC1)C(F)(F)F 1786465612 QVEDXCQQULLMRZ-MRXNPFEDSA-N 430.417 5.065 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)CCC1 1786699176 HISORWMHDDXUKS-UHFFFAOYSA-N 438.955 5.047 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Oc2ccccc2)cc1 1800346512 BHBWRVRLEUGBAT-ZGXDEKTJSA-N 444.575 5.499 30 20 IKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1814938436 NXDSOVBSWFRMNX-UGKGYDQZSA-N 428.964 5.071 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCCCC(C)(C)C)[nH]n1 1820976196 HSEVEYARQGDNOF-QUCCMNQESA-N 447.624 5.199 30 20 IKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[nH]n1 1822404066 OGMFPCYPQWWPBT-HXUWFJFHSA-N 443.507 5.033 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C(F)(F)F)c3C)n[nH]2)C1 1823289856 RNLZPKQZXRZCJX-IBGZPJMESA-N 446.473 5.009 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3[nH]ccc3s2)CC1 1828334138 ANYJDMJIOABXIC-FQEVSTJZSA-N 441.641 5.455 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3sccc3s2)CC1 1828553662 KEFTZULKXQQRPE-FUHWJXTLSA-N 430.639 5.408 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3cnccc23)CC1 1828652689 ODOKZDAACPOWEM-VWLOTQADSA-N 447.623 5.461 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C(F)(F)F)CCC2)CC1 1828825423 VSZNFUHCYCHKAJ-WOJBJXKFSA-N 440.550 5.107 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2coc(C(C)C)n2)CC1 1829066273 ZJQQTEUYMBOGTD-OAQYLSRUSA-N 429.605 5.024 30 20 IKED Cc1cc(C)c(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2cccc(O)c2)cc1C 10826673 JPIAWGLVYUFUAL-UHFFFAOYSA-O 425.961 5.309 30 20 IKED CN(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccccc2Cl)cc1 10826887 WOJSFSXSOJLUDD-UHFFFAOYSA-O 446.930 5.023 30 20 IKED O=C(/C(=C(/S)Nc1ccccc1F)[n+]1ccc2c(c1)CCCC2)c1ccc(F)c(F)c1 11170156 XWSOXZIJCQAMLO-UHFFFAOYSA-O 441.498 5.321 30 20 IKED Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c2)c1 29150866 SVNVGJPFENWBMH-UHFFFAOYSA-N 447.560 5.158 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)nc2sccc2c1=O 36800655 GPCGRUWVJPMNSQ-INIZCTEOSA-N 447.585 5.430 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1cccc(OCC#N)c1 108305102 KTKGRIJMFWGVJA-UHFFFAOYSA-N 443.887 5.256 30 20 IKED C[C@H](C#N)SC1=N/C(=C/c2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1Cl 210625753 XTUXCTLOBHSJSR-BTAWCLGRSA-N 436.751 6.036 30 20 IKED C[C@@H]1CCCCN1Cc1ccccc1CNCc1cn(CCC#N)nc1-c1ccccc1 237346444 QQSVEOSSCNHPEO-JOCHJYFZSA-N 427.596 5.128 30 20 IKED C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNCc2cn(CCC#N)nc2-c2ccccc2)C1 237556493 JKOSLRLBHOTHKL-ZRZAMGCNSA-N 441.623 5.231 30 20 IKED O=C1CCCN1C[C@@H](NCc1cc(C(F)(F)F)ccc1F)c1cccc(C(F)(F)F)c1 237739439 NAMDGDURPSDYSN-GOSISDBHSA-N 448.382 5.317 30 20 IKED N#Cc1ccc(SCC(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)cc1 303125931 AGCYLYKOXCCTJW-JOCHJYFZSA-N 437.362 5.319 30 20 IKED Cc1nc(CSc2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)cs1 303247621 BBEUURADZRRSTM-HNNXBMFYSA-N 439.631 6.248 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 303363925 QSLVKGWLFUKIPN-INIZCTEOSA-N 432.505 5.985 30 20 IKED C#CCOc1ccc(F)cc1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C 303862297 HJWWWYJZKAGFNR-UHFFFAOYSA-N 428.467 5.083 30 20 IKED CC(C)c1nccn1Cc1cccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)c1 428741662 FETGEIHVFPNGHO-UHFFFAOYSA-N 438.535 5.084 30 20 IKED C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 437745520 LITBLQWOPULFMM-SIBVEZHUSA-N 443.522 6.086 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(C)c(O)c2)nnc1-c1ccc(Cl)cc1Cl 438958798 KGAIRSBOXNHGHB-UHFFFAOYSA-N 449.363 5.183 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1cccc(OCc2cccc(F)c2)c1 439561208 HMGJWAZXAMHOKL-IBGZPJMESA-N 447.510 5.161 30 20 IKED Cc1cc(Cl)c(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1Cl 443951240 JKAOVBMTHGHSHH-UHFFFAOYSA-N 431.323 5.056 30 20 IKED Cc1ccccc1[C@H](CC(F)(F)F)NCC(=O)Nc1ccccc1SC[C@H](C)C#N 444779471 BZIQPVWNSHIDNR-BEFAXECRSA-N 435.515 5.469 30 20 IKED Cc1ccc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)c(OCC(F)(F)F)c1 447058321 GSEKXMVTVFWSHD-OAHLLOKOSA-N 437.487 5.652 30 20 IKED C=CCN(C(=O)[C@H]1CCN(C(=O)CC)C1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 448170568 QPIGDXGHDJBXDQ-QFIPXVFZSA-N 445.588 5.255 30 20 IKED N#C[C@@H](C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1cc(C(F)(F)F)ccn1 464416563 JDTPXDMYFJLQJW-CYBMUJFWSA-N 449.841 5.558 30 20 IKED COc1ccc([C@@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)c2ccccc2Cl)c(OC)c1 465650294 DQTWRDWSDFKJAX-FYSMJZIKSA-N 449.938 5.379 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](c1nc(C)cs1)C1CC1 466089842 CAAHGPDOKASBRS-KRWDZBQOSA-N 438.366 5.202 30 20 IKED C[C@H](Sc1ccccc1Cl)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469950168 IXWJRAPWUALYDH-HNNXBMFYSA-N 427.957 5.042 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(Cl)cc3C(F)(F)F)ccc21 470790840 YDCMMMBCOHMMLJ-UHFFFAOYSA-N 435.833 5.194 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1 473228258 XJTQJOWHZIXGFE-UHFFFAOYSA-N 440.487 5.181 30 20 IKED CC(C)(C)N(Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1Br 474174842 VNNOPGXJHUFWSN-UHFFFAOYSA-N 425.330 5.171 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c(OCCOC(C)C)c1 474962931 DKJDTNBGDWECRU-QGZVFWFLSA-N 444.940 5.252 30 20 IKED CN1CCC[C@H](CNC(=O)C[C@@H](CC#N)c2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1 476076158 CQKYDINWQGDZOL-PQNGQFLHSA-N 443.513 5.292 30 20 IKED N#CC[C@H](CC(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1)c1ccccc1 476451347 YEEGZJDAJGDEDD-GOSISDBHSA-N 442.906 6.102 30 20 IKED Cc1ncc(CN(C)C(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)s1 479636327 ITFMJFWRBOCQNE-UHFFFAOYSA-N 440.594 5.062 30 20 IKED Cc1onc(-c2cccc(Cl)c2)c1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 479984132 BIISJVVTXGQELU-UHFFFAOYSA-N 435.911 5.295 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCCc2c(O)cccc21 483704935 YOQXUBKRNKRYTO-XMMPIXPASA-N 427.504 5.350 30 20 IKED N#CC1(C(=O)Nc2cc(-c3nc4ccc(Br)cc4[nH]3)ccc2Cl)CCCC1 485152986 SIPGSAPKQGHPFN-UHFFFAOYSA-N 443.732 5.668 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)c1nc2ccccc2n1C(F)F 489677484 INEHGEWSPZBJSI-HNNXBMFYSA-N 441.507 5.641 30 20 IKED COc1ccccc1[C@@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccco1 489745953 WMCBCUFBHXLBEL-WAIKUNEKSA-N 449.576 5.196 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)c3nnc(-c4ccc(C)c(C)c4)o3)o2)cc1 489787226 MZVFARQPAJBFTD-MRXNPFEDSA-N 434.521 5.822 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Cl)c(C(=O)N(CC)C(C)C)c1 490487102 YFVXLFHISFBNMO-UHFFFAOYSA-N 438.959 5.302 30 20 IKED C[C@@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)C(=O)NC1(C#N)CCCCC1 499827771 HJPRUTMRCSNFBY-MRXNPFEDSA-N 434.540 5.259 30 20 IKED CCN(C(=O)[C@@H](C)Oc1ccccc1C#N)[C@H]1CCSc2ccc(Br)cc21 504558227 BRDVOQCPTGNVMR-KDOFPFPSSA-N 445.382 5.174 30 20 IKED CC(C)c1noc2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c12 505429987 WENSYZPZFQUJGH-AWEZNQCLSA-N 435.434 5.458 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc2c(c1)OCO2 505542684 LAVMQVLCSLSQIX-FOIQADDNSA-N 433.895 5.607 30 20 IKED CN(C)c1nc2sc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2s1 505700343 JMBARJUYVTXNRS-SECBINFHSA-N 446.529 5.316 30 20 IKED CC(C)c1ccccc1OCCC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 506852998 ZQVUHXJVLIKDNL-UHFFFAOYSA-N 438.578 5.233 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)o1 509617578 LKUPLXGSTYISJU-UHFFFAOYSA-N 443.503 5.045 30 20 IKED C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510023319 KBBMKASURQITMG-YWZLYKJASA-N 439.893 6.499 30 20 IKED CC(C)CCOC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 510055008 KOTANHQGXYTNFQ-HSZRJFAPSA-N 439.987 6.054 30 20 IKED CCc1cc(C#N)c(NC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)s1 511056422 MNXRNTHOSLTFGP-UHFFFAOYSA-N 447.604 5.267 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N[C@H](C#N)c3ccc(F)cc3)cc12 511734401 MVFVVHPSEXEPGJ-LJQANCHMSA-N 438.915 5.242 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCCCC(=O)c2ccccc2)cc1 512531081 RDJWUOZHXOSZBS-UHFFFAOYSA-N 428.488 5.741 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2cc(Br)cs2)cc1 512787611 JZUHTLPCFRICTC-UHFFFAOYSA-N 428.311 5.496 30 20 IKED N#C[C@H](C(=O)c1ccc(C2CCCCC2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 513667676 VMRQUPYWOYUDPH-LJQANCHMSA-N 431.561 5.813 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cc3c(cc2Cl)OCO3)cc1 513934553 WENXHDPQYLUMIT-UHFFFAOYSA-N 437.858 5.314 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 518755624 LDDCCRAEGQALJS-JTSKRJEESA-N 446.576 5.254 30 20 IKED C[C@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)CSCc1ccc(C#N)cc1 519118170 IFBOBSCSDYLBJO-RBZFPXEDSA-N 447.423 5.153 30 20 IKED Cc1c(C#N)c(NC(=O)CCS[C@@H](C)c2ccc(F)cc2)n(Cc2ccco2)c1C 521610077 FZPMUJSEYAAUBX-KRWDZBQOSA-N 425.529 5.580 30 20 IKED Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cnn1-c1ccccc1 521733189 ANQRUHACKFPIQI-UHFFFAOYSA-N 430.455 5.458 30 20 IKED Cc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(OC[C@@H]2CCCO2)c1 521955221 XOVRVLQLMJBZJM-DEOSSOPVSA-N 442.515 5.664 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1OC 522320767 KOKTXORVJFHHOE-XMMPIXPASA-N 442.515 5.132 30 20 IKED CCOc1cc(-c2nnc(S[C@@H](C#N)C3CCCCC3)o2)cc(OCC)c1OCC 522333437 XRUQBKNYUKWHHC-IBGZPJMESA-N 431.558 5.497 30 20 IKED CC(C)n1c([C@@H](C)NC(=O)c2cccc(COc3cccc(C#N)c3)c2)nc2ccccc21 522927373 SFKIVZWRBLXJMS-LJQANCHMSA-N 438.531 5.559 30 20 IKED CC(=O)N[C@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccc(F)cc1F 525025296 ALKGIFJEVKCCHV-XMMPIXPASA-N 449.457 5.143 30 20 IKED N#Cc1ccc(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)c(F)c1 525503817 BSQSIXYSIZLERR-IBGZPJMESA-N 439.899 5.414 30 20 IKED N#CCCn1cc(CN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c(-c2ccccc2)n1 536683039 AFVQMLPBRIEXLC-QFIPXVFZSA-N 441.362 5.344 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1 536737249 XPWODWBXPCATIE-KRWDZBQOSA-N 435.549 5.031 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)n1 541100224 DFOVJLQUZJUPIG-GOSISDBHSA-N 426.307 5.420 30 20 IKED N#Cc1ccc(Oc2cccc(NS(=O)(=O)Cc3cc(-c4ccc(F)cc4)no3)c2)cc1 542237475 WNWVENNMJHXVEH-UHFFFAOYSA-N 449.463 5.087 30 20 IKED N#Cc1cc(C(=O)Nc2ccc(Cl)cc2-c2nc(C3CCCC3)no2)ccc1Cl 542550464 IMQLASXNLYXAJW-UHFFFAOYSA-N 427.291 5.825 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)Nc1ccc(OC(C)C)cc1C(F)(F)F 543302157 BPOCQUMDYRJBAS-UHFFFAOYSA-N 437.418 5.033 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OC)c(OC4CCCC4)c3)n2)cc1 544155170 RIRSWDBRIPLNBL-FQEVSTJZSA-N 448.544 5.639 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCOc2ccc(F)cc21 548080960 POTQXNRIBRHLIS-HSZRJFAPSA-N 431.467 5.230 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)CC1 549112083 FJFBRHIQLCSZRN-QLOJAFMTSA-N 435.490 5.012 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(OC2CCCCC2)CC1 549285986 UHMZJPAEMGQAIZ-UHFFFAOYSA-N 431.584 5.388 30 20 IKED CC(C)C(=O)Nc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)ccn1 555820464 VGFFDPLXUGONIB-UHFFFAOYSA-N 448.910 5.032 30 20 IKED C=CCc1cc(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc(OC)c1O 556408981 MMMVPOWYFLLQPW-JOCHJYFZSA-N 435.486 5.406 30 20 IKED N#Cc1ccc(N2CCC(NC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1 560527248 BRHYJQWUKKFEOG-UHFFFAOYSA-N 443.422 5.088 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCCN3c4ccccc4C[C@@H]3C2)cc1 562227956 LPPDVAHRCRWHNN-HSZRJFAPSA-N 439.584 5.128 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 566928955 DKBFSBJTCQSJHW-PKTZIBPZSA-N 426.992 5.232 30 20 IKED CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 574934928 NINVSTZAAQUFLN-NRFANRHFSA-N 448.910 5.610 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 578176340 CAYCFWHDGBRAJG-IZPCHGGPSA-N 449.407 5.373 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(-c4noc(C(F)F)n4)cc3)c2)cc1 582268377 LVDZJSFIUPBLGB-UHFFFAOYSA-N 431.402 5.542 30 20 IKED COc1ccc(COCc2cccc(NC3CCN(c4ccc(C#N)cc4)CC3)c2)cc1 583619353 OWYMDCRCBUUNQF-UHFFFAOYSA-N 427.548 5.365 30 20 IKED C=C(C)COc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)c1 589384555 IPNUBNQAZAQEFO-UHFFFAOYSA-N 446.572 5.933 30 20 IKED COc1ccc2[nH]cc(C3=CCN(C(=O)c4ccccc4-c4ccccc4C#N)CC3)c2c1 603639816 CFBKVDVERRWFKB-UHFFFAOYSA-N 433.511 5.645 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CN2CCC(c3c(C)[nH]c4ccccc34)CC2)c1C 603869557 WWMLASZLIARFNR-UHFFFAOYSA-N 428.580 5.219 30 20 IKED N#C[C@@H](C(=O)c1ccc(NC(=O)CSc2cccs2)cc1)c1nc2ccccc2s1 605075265 WYWKFGADMAVMBG-INIZCTEOSA-N 449.582 5.579 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(c2cccc(Cl)c2)CCOCC1 608876673 RNWJIFYGECYXJZ-UHFFFAOYSA-N 447.922 5.394 30 20 IKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1cccc(C(F)(F)F)c1 608923308 GGEDUHNXDYCOBB-KRWDZBQOSA-N 437.849 5.073 30 20 IKED Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc2)n1 609105652 BXOZTCDQWXJOLV-UHFFFAOYSA-N 440.478 5.331 30 20 IKED COc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2S[C@H](C)CC#N)c1 609370595 HGSJFNXUGUZMDL-MRXNPFEDSA-N 438.578 5.006 30 20 IKED COc1ccc(Cn2nccc2NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 609500436 IRLXRPLURDDLGJ-UHFFFAOYSA-N 438.487 5.051 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)n1 610167409 PVJBWYQMAQARGP-LLVKDONJSA-N 438.862 5.761 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@H](c4cc5ccccc5[nH]4)C3)n2)c(Cl)c1 611836315 UVBUNJJQEWWOQF-SFHVURJKSA-N 444.926 5.290 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)n2)cc1 613302403 YRPSSCUIRHEWHU-UHFFFAOYSA-N 437.503 5.099 30 20 IKED Cc1nc(C(F)(F)F)ccc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 642282239 XFRHRCJAOYEFIO-NSHDSACASA-N 429.345 5.527 30 20 IKED CC(C)(C)[C@H](COc1ccccc1F)NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674434722 ZAJAJXDIQWEREQ-HUBLWGQQSA-N 444.391 5.001 30 20 IKED C[C@@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1c(F)cccc1Cl 674437253 GKLJNVWRKMVQCP-ZNSHCXBVSA-N 434.783 5.749 30 20 IKED Cc1sc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1-c1ccc(F)cc1 674799740 LLHJFJNTFAIMOO-ZIAGYGMSSA-N 425.369 5.675 30 20 IKED CC(C)Cn1ncc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1C1CC1 678171123 AEBGWCIRZIBIJS-CQSZACIVSA-N 432.471 5.535 30 20 IKED N#CCSc1ccccc1NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCCC1 725959137 WZMMRYKSOXFTQD-UHFFFAOYSA-N 442.968 5.339 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccccc3OC(F)(F)F)n2)cc1 727628140 SFCCFNRASKEIQF-QGZVFWFLSA-N 430.451 5.826 30 20 IKED Cc1ccc(-c2nnc([C@@H](C)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)o2)cc1 728062412 NJBIGXCGDOQPPD-QGZVFWFLSA-N 444.922 6.322 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)C[C@H](c1ccccc1)C(F)(F)F 728766587 CNJKQODOFYHIQX-LSDHHAIUSA-N 438.833 5.041 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\Oc3ccc(Cl)cc3C2=O)cs1 729151844 WHIZILKWXMXSAA-NVMNQCDNSA-N 431.300 5.751 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(C3CCC3)C2=O)c1 730460998 JSHNGVVYOUGIBW-FQEVSTJZSA-N 441.984 5.470 30 20 IKED N#C[C@H](C(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)c1nc2ccccc2s1 730685406 HSBRMKCZASAHAI-ZHRRBRCNSA-N 436.895 6.085 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccccc2F)o1 731068060 PZGVQSNMDVUAPS-OAHLLOKOSA-N 438.480 5.133 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc(C)c1OCc1cccnc1 733679001 RKCBBBXWYAONFT-DEOSSOPVSA-N 449.510 5.392 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2sc(-c3cccc(Cl)c3)nc2C)c1 733772740 GOYMRGZCIJWWAK-GOSISDBHSA-N 425.941 5.383 30 20 IKED COc1ccc(/C=C2/SC(=S)N(c3ccc(SC(F)F)cc3)C2=O)cc1C#N 743283090 VVYRIOCQAHZSOK-CXUHLZMHSA-N 434.514 5.287 30 20 IKED Cc1cc(C(=O)Nc2ccccc2CC(=O)OC(C)(C)C)c(C)n1-c1ccc(C#N)cc1 744763649 XREGSJWXKPRFMP-UHFFFAOYSA-N 429.520 5.102 30 20 IKED CC(C)OCCCNC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 745947567 DZMDCRJRPKBWAJ-GOSISDBHSA-N 449.334 5.039 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccco2)cc1 752102700 RAOLIRFOELGGEW-UKILVPOCSA-N 444.531 5.239 30 20 IKED Cc1cccn2cc(COc3ccc(C=NOc4ccccc4C(F)(F)F)cc3)nc12 754712212 GKFZJYJZZVMLOH-UHFFFAOYSA-N 425.410 5.653 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 760786750 WLNFXIKGTNKFOK-UHFFFAOYSA-N 429.476 5.771 30 20 IKED O=C(O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cc(F)c([N+](=O)[O-])cc1F 763490719 CDYQGKXGFFARSM-ZDUSSCGKSA-N 429.219 5.352 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(CO)(Cc3ccccc3)CC2)cc1 770179617 QBZDDYXHBUVECB-SANMLTNESA-N 439.559 5.191 30 20 IKED CCOc1cc(/C=C/C(=O)c2cccc(F)c2F)ccc1OCC(=O)Nc1ccccc1 776267901 IUSYPRGKTFTWRG-ACCUITESSA-N 437.442 5.277 30 20 IKED C=C(C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 777449438 YUGVFCZWJPXETK-GOSISDBHSA-N 447.482 5.242 30 20 IKED C=CCNC(=S)/C(=C(/O)c1sc2ccccc2c1C)[n+]1c(C)ccc(O)c1Cl 777508788 BHKKZDKWPROZGD-UHFFFAOYSA-O 431.990 5.151 30 20 IKED Cc1nn(C)c(C)c1[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(F)(F)F 777564474 GXPOGLHJQROUQV-CTNGQTDRSA-N 441.457 5.118 30 20 IKED N#C[C@@H](C(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1nc2ccccc2n1C(F)F 781452256 RNFFURKPIMUFJY-AWEZNQCLSA-N 437.343 5.497 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)Nc1ccc2ccccc2c1 782808163 ZUFRLRXQTQCDHO-UHFFFAOYSA-N 435.483 5.176 30 20 IKED N#Cc1ccc(CN[C@H]2CCCc3nc(-c4ccccc4Br)sc32)nc1 783295113 ZRSZWNRGGCBOHZ-KRWDZBQOSA-N 425.355 5.006 30 20 IKED C[C@@H](NC(=O)[C@@H](C#N)C(=O)CCc1cncc2ccccc12)c1ccc(Cl)cc1Cl 787052472 ZAOPSPABXYWPTG-VLIAUNLRSA-N 440.330 5.060 30 20 IKED N#C[C@@H](C(=O)CSCc1ccc(Br)cc1F)c1nccc2ccccc12 792094254 NOALNGNGHKLZGZ-KRWDZBQOSA-N 429.314 5.246 30 20 IKED COc1cc(C(=O)N(CCC#N)CC(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 792522290 YCPYHXXRUWLDMJ-UHFFFAOYSA-N 431.876 5.061 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccc(C(F)(F)F)cc1 798819662 FERDPCGBFZJCJZ-UGSOOPFHSA-N 425.435 5.681 30 20 IKED C[C@@H](NC(=O)[C@H](C#N)C(=O)c1coc(C2CCCCC2)n1)c1ccc(Cl)cc1Cl 802218798 KWDCTOQNGKEDPX-MLGOLLRUSA-N 434.323 5.229 30 20 IKED CC1(C)CC[C@H]1N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccsc1 807938927 JSPLKHZLEBBKOG-DLBZAZTESA-N 431.558 5.036 30 20 IKED CCCCOc1ccc(C=NO[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)cc1OC 852026155 NBOCVJOWDCMYLA-KRWDZBQOSA-N 432.948 5.522 30 20 IKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccc3c(c2)-c2ccccc2C3)nc1C 899895733 NUFIWUPSADCHGM-UHFFFAOYSA-N 445.573 5.008 30 20 IKED COc1ccc(-c2ccc(/C=C3/SC(=Nc4c(C)cccc4C)NC3=O)o2)c([N+](=O)[O-])c1 915849006 KFSFJDSSDIBCLG-UDWIEESQSA-N 449.488 5.372 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(CC)Cc2ccccc2Cl)c1=S 917437405 UEAKOLAXHRBQNV-UHFFFAOYSA-N 428.989 5.409 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2c(C)[nH]c3ccccc23)cs1 917560584 RWFFZHOYIUIEAV-FMIVXFBMSA-N 435.936 6.167 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 918489905 OCVLOJCFRMLJLT-GCJKJVERSA-N 435.936 5.615 30 20 IKED CCOC(=O)c1c(-c2ccc(C)s2)csc1NC(=O)c1ccccc1OCC#N 919992841 ITHNUTKDQGLJSV-UHFFFAOYSA-N 426.519 5.116 30 20 IKED C[C@H]1CN(C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)Cc2ccccc21 922236835 RYAQTZKKSRRBKK-SFHVURJKSA-N 441.556 5.049 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)Cc3ccc4ncccc4c3)cc2)CCC1 1786557675 ATLMCQCAQFPPFI-UHFFFAOYSA-N 439.559 5.105 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Nc3cccnc3)cc2)CCC1 1788030449 FPWYBVMGAJZAFO-LJQANCHMSA-N 434.584 5.009 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790706430 AYZLHLWSHRZORQ-XMMPIXPASA-N 427.548 5.269 30 20 IKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccncc1-c1cccc(C)c1)C2 1793049194 SYNPBCFPXURURI-BKFWDETESA-N 443.591 5.077 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cccs2)n[nH]1 1815990114 LQVDWEOSSYAMNB-LJQANCHMSA-N 428.602 5.089 30 20 IKED CCC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)CCC1 1818949436 IXUMIDPGYGPRSA-HXUWFJFHSA-N 442.680 5.033 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C(C)=C/c2cccs2)CC1 1823718207 WOFZHRVHPHNFQI-PHMFPNPQSA-N 440.653 5.540 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1 1824871145 OMODWTRYXJYZHW-IBGZPJMESA-N 430.555 5.331 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc(C(F)F)c2)CC1 1825402483 RBSSEPYBIFVGGE-NRFANRHFSA-N 447.570 5.245 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC(F)(F)F)CC1 1829068128 GMLQMLVJBGZTTC-IBGZPJMESA-N 430.555 5.331 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2SC)CC1 1829069213 QUEROWGUAOMJAG-NRFANRHFSA-N 443.657 5.029 30 20 IKED CC(C)[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 1831565584 HSESKULKCQCDBN-DNRSQYFGSA-N 449.639 5.254 30 20 IKED Cc1csc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832629341 NMKRQYNDQCOCJH-CVDCTZTESA-N 449.620 5.231 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2c(Cl)cccc2s1 1847265004 ZOKWDRAXBJKRQR-ROUUACIJSA-N 431.001 5.363 30 20 IKED CC(=O)N(c1nc(CSc2nc(C)cc(C)c2C#N)cs1)c1c(C)cc(C)cc1C 10266929 PSZCFBWGNOMPFP-UHFFFAOYSA-N 436.606 5.929 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccccc1)=C(/S)Nc1ccccc1C(F)(F)F 11156842 WRCRQLZKASRVSW-UHFFFAOYSA-O 429.487 5.606 30 20 IKED Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1ccc2c(c1)CCC2)[n+]1cccc(O)c1 11258745 WBYWSRIEORVZQH-UHFFFAOYSA-O 437.972 5.181 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1 58499238 QXFDDEUUUQYOFQ-SJORKVTESA-N 426.360 5.272 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1nnc(SCc2cccs2)s1 104887007 GINJKZFLXXKSQY-UHFFFAOYSA-N 434.571 5.683 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)nnc1-c1cccc(Cl)c1 216421586 ZPIISKAIYHOUDN-OAHLLOKOSA-N 440.956 5.106 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(CC)no2)nc2scc(-c3ccc(C)cc3)c2c1=O 248055805 BPOJOCFCYPMSCW-AWEZNQCLSA-N 438.578 5.418 30 20 IKED COCCOc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 303183250 LCSWVEWWHJGUMQ-UHFFFAOYSA-N 436.895 5.068 30 20 IKED O=C(c1cccc(COc2cccc(F)c2)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 303732263 ZOSQIPHLUCHJBV-UHFFFAOYSA-N 435.339 5.362 30 20 IKED Cc1noc(C[C@H](NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c2ccccc2)n1 429522665 UOXXAVQXTDYAFH-QFIPXVFZSA-N 440.528 5.115 30 20 IKED C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1nc(-c2cccc(F)c2)no1 438036184 NFSKAPJMXKEEGK-HNNXBMFYSA-N 443.438 5.422 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@]3(C[C@H]4CC[C@H]3C4)C2)cc1Cl 440918607 CPWBVDLFISLGJD-DOPDFTPFSA-N 435.955 5.418 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cc(F)c(F)c(O)c1F 444430811 JSANGOQRURZTQN-NSHDSACASA-N 431.254 5.252 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N(C[C@H]1CCOC1)C1CC1 460373189 CZIINKPRKBGGMB-OAQYLSRUSA-N 444.579 5.106 30 20 IKED C[C@H](C(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1)c1cccc(C#N)c1 462130746 KUOAJYLILLKKGB-SFHVURJKSA-N 437.499 5.319 30 20 IKED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(Cc2ccccc2)[C@H](C)c2ccccc2)cc1 463726897 HVVBJGLNIWLVTM-VQTJNVASSA-N 447.560 5.168 30 20 IKED C[C@@H](C(=O)C(c1nc2ccccc2s1)c1nc2ccccc2s1)c1cccc(C#N)c1 464185769 NGAFOMGVDLRRBS-OAHLLOKOSA-N 439.565 6.282 30 20 IKED Cn1c([C@H](NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c2ccccc2)nc2ccccc21 465821551 UEKWTBURCCAVMW-GGBSJPMNSA-N 449.558 5.144 30 20 IKED C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CCCN(c2ccccc2C#N)CC1 466825231 KWBBBPACAREEQL-HNNXBMFYSA-N 442.350 5.188 30 20 IKED Cc1cc(CCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc(C)c1O 469238868 WZPHDASTTGXDAX-UHFFFAOYSA-N 429.520 5.018 30 20 IKED O=C(CCCc1ccc(O)c(F)c1)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 469655872 LVAHNKMVVPPOTA-MRXNPFEDSA-N 437.355 5.683 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(F)cc(NCC(F)(F)F)c2)o1 473238452 AQGLPJUQPMPZHG-UHFFFAOYSA-N 433.361 5.096 30 20 IKED O=C(Nc1cc(F)cc(NCC(F)(F)F)c1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 473249114 KGUQJFQOMBMCKY-UHFFFAOYSA-N 448.298 5.121 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 475580459 YMILZUSKRMNXMR-SFTDATJTSA-N 427.633 5.282 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)C[C@@H](CC#N)c1ccccc1 476118116 CGMAPBDLSXJQDM-LJQANCHMSA-N 426.495 5.714 30 20 IKED CC(C)(C#N)c1ccc(C(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)cc1 476169683 WSUMWCAZQHDODM-UHFFFAOYSA-N 439.437 5.624 30 20 IKED Cc1sc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(C#N)cc2)nc1-c1ccc(Cl)cc1 479213446 VAAHLRHLYKSBDX-KGLIPLIRSA-N 425.941 5.288 30 20 IKED CCOc1cc(Br)ccc1NC(=O)c1occc1COc1cccc(C#N)c1 479216067 XQJUYVSNDQXMTR-UHFFFAOYSA-N 441.281 5.144 30 20 IKED CN(Cc1ccccc1CNCc1cn(C)nc1-c1ccc(C#N)cc1)C1CCCCC1 479965161 NOBJHDZQOLSMRI-UHFFFAOYSA-N 427.596 5.013 30 20 IKED C=C(C)Cn1c(SCC(=O)N(C)[C@H](C)c2cc3ccccc3o2)nnc1-c1ccco1 480108098 FNNFFEZTOLEJHL-MRXNPFEDSA-N 436.537 5.172 30 20 IKED C=C(C)Cn1c(SCC(=O)N(C)Cc2cccc3ccccc23)nnc1-c1ccco1 480109397 NUJXXBXGHBPNFQ-UHFFFAOYSA-N 432.549 5.018 30 20 IKED C=C(C)Cn1c(SCCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccncc1 480425215 ILUXDEPCDIUENP-UHFFFAOYSA-N 447.486 5.056 30 20 IKED Cc1cc(C)n(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2F)n1 483284516 QAIKWDRFGIXXAR-LJQANCHMSA-N 441.491 5.114 30 20 IKED CCCOc1ccccc1Oc1ncccc1CNC(=O)NC1(c2cccc(C#N)c2)CC1 484840668 YGNFDTPWPZYPEO-UHFFFAOYSA-N 442.519 5.023 30 20 IKED C[C@@H](c1nnc(SCc2ccccc2C(C)(C)C#N)n1-c1ccc(Cl)cc1)N(C)C 487482245 YANJNQJWQFUIHX-INIZCTEOSA-N 440.016 5.637 30 20 IKED CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 488180538 IQVVAKKDSXCLIP-SSEXGKCCSA-N 438.936 5.014 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C(=O)Nc3cccc(C)c3C)C(C)C)o2)cc1 489772010 GLXSVASSDVQKSJ-NRFANRHFSA-N 437.565 5.674 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 494086282 BJEWAGDNURCBRP-UHFFFAOYSA-N 448.376 5.573 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1nc(-c2ccncc2)cs1 497367808 UMNSLKULDLUSMX-INIZCTEOSA-N 439.418 5.974 30 20 IKED CCc1cccc(NC(=O)CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 498819772 WCHDUNIRFWWNKH-JOCHJYFZSA-N 446.938 5.318 30 20 IKED CC(C)CN(C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)c1ccc(C#N)cc1 499328913 PCFQDKQCAJLTLX-UHFFFAOYSA-N 427.533 5.170 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)nnc1-c1cccc(C)c1 501560253 DXRYNMGAUOMZMJ-AWEZNQCLSA-N 430.936 5.351 30 20 IKED CCCN(CCC)C(=O)c1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c1 503584389 FIXCUJNRBISRAU-QFIPXVFZSA-N 445.588 5.871 30 20 IKED N#C[C@@H](NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1cccc(C(F)(F)F)c1 505981572 LPHYUCQPRNFREH-QGZVFWFLSA-N 448.832 5.113 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cscc1Br 510873750 XGCAPJJFCIOUHX-UHFFFAOYSA-N 427.323 5.522 30 20 IKED CN(Cc1c(F)cccc1Cl)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511499236 MVRPSZQHZXHMCK-UHFFFAOYSA-N 436.874 5.267 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(CC(=O)N(CC)c2ccccc2)cc1 515796742 MVWIFBHZMYVRLT-UHFFFAOYSA-N 445.538 5.641 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 516009121 JHSHQUYHXWOCAK-LJQANCHMSA-N 438.421 5.017 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(-c4ccccc4Cl)on3)n2)cc1 516269887 BWVALSCRFKEUPK-INIZCTEOSA-N 435.892 5.617 30 20 IKED CN(Cc1ccc(Br)o1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 518031980 KNALXNSSCKOGKF-UHFFFAOYSA-N 429.245 5.117 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 518207907 ZELZNNXOXODYTI-FQEVSTJZSA-N 449.551 5.740 30 20 IKED CCC[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccccc1 518676365 ABHYAISPKCUYNQ-QGZVFWFLSA-N 449.498 5.307 30 20 IKED C=CCc1cc(CNC(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)cc(OC)c1OC 522086497 GGZNAVSNVMBTJN-UHFFFAOYSA-N 439.556 5.047 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 524439366 UQZXLWWVXVPODV-CLJLJLNGSA-N 441.531 5.488 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(Oc3ccccc3)cc2)nnc1-c1cccnc1 525623839 GKCGIVDKPBSINJ-SFHVURJKSA-N 442.544 5.682 30 20 IKED N#Cc1ccc(-c2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)nc1 531943300 PFPVVHDGPRSQMZ-UHFFFAOYSA-N 443.772 5.530 30 20 IKED Cc1ccc(-c2ncco2)cc1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 534039725 UOSOALLZCJPFIC-UHFFFAOYSA-N 438.487 5.939 30 20 IKED COc1cc(CN(C)C(=O)c2ccc(C3(C#N)CC3)cc2)ccc1OCc1ccccc1 539601768 RQAYCIXUMXFFIQ-UHFFFAOYSA-N 426.516 5.102 30 20 IKED COCc1nnc(-c2cccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)c2)o1 540708900 GHRQHHBJTDQVSS-UHFFFAOYSA-N 440.459 5.108 30 20 IKED CCOc1cc(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c([N+](=O)[O-])cc1OC 541070644 SOTWOJUCCJPLKH-INIZCTEOSA-N 445.475 5.032 30 20 IKED C=CCSCCNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 542819480 CHANVIRRDGZRJD-SAPNQHFASA-N 439.562 5.171 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@@H]3c3ccc(Cl)cc3)n2)c(Cl)c1 543891964 LWFALBLBIDZBBZ-GOSISDBHSA-N 426.307 5.420 30 20 IKED N#CC1(c2ccccn2)CCN(c2cc(C3CC3)nc3c(Br)cccc23)CC1 554522664 LGRTXAJNCKSAAA-UHFFFAOYSA-N 433.353 5.331 30 20 IKED C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCO[C@@H](c2cccs2)C1 555240994 HVMGKYXQSDFLOR-QGZVFWFLSA-N 434.487 5.179 30 20 IKED C[C@@H]1CN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c2ccccc2NC1=O 556477369 MZLFNOSYZQCLQK-OAHLLOKOSA-N 431.879 5.239 30 20 IKED CCN(C)C(=O)c1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 558049495 NNPYFYMYZHGOIQ-UHFFFAOYSA-N 433.895 5.348 30 20 IKED C=CCOc1ccc(/C=C/c2nc(-c3ccc(OC(F)F)c(OC)c3)no2)cc1OC 580319868 BNYTUJCSSCIIRN-UXBLZVDNSA-N 430.407 5.090 30 20 IKED C[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1noc(-c2ccc(Cl)cc2)n1 581851204 BVNLLKVMWXGFAC-QGZVFWFLSA-N 444.922 5.691 30 20 IKED C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(NC(=O)CC2CCCC2)CC1 582713423 IIMHBQKBWKJKGT-XMMPIXPASA-N 449.643 5.061 30 20 IKED Cc1nc(C)c(C#N)c(S[C@@H](C)c2nc(O)c3c(-c4cccs4)csc3n2)n1 600819860 OCPAXDOQNNOJMZ-JTQLQIEISA-N 425.564 5.257 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)s2)cc1 602230571 YJTXDMHBRUOCTE-UHFFFAOYSA-N 446.557 5.298 30 20 IKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1cccc(C(F)(F)F)c1 608865892 ZPHSNKNWNHGPMO-HXUWFJFHSA-N 445.485 5.349 30 20 IKED Cc1csc(Sc2ccc(NC(=O)N(C)Cc3ccc(C#N)cc3)cc2Cl)n1 608892630 BMJIMVTWTJZJQR-UHFFFAOYSA-N 428.970 5.792 30 20 IKED CC(C)c1noc(-c2ccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)cc2)n1 609060526 CCNIEMUZLGWJFK-UHFFFAOYSA-N 438.487 5.563 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)CCC(=O)N3CCSc4ccccc43)c2)cc1 609316397 VPAAZPGDYQBHKH-UHFFFAOYSA-N 443.528 5.208 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccn(-c2cccc(F)c2)n1 609389687 YMQUDKLKUKGFAN-MRXNPFEDSA-N 440.569 5.278 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC(OCc3ccccc3)CC2)c1 609722469 XYHLPQHNUKZXNQ-UHFFFAOYSA-N 446.934 5.825 30 20 IKED Cc1cccc([C@@H]2CCCCCN2C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)c1 609813300 WFYZYGMIJBCMFH-KNQAVFIVSA-N 435.593 5.472 30 20 IKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)N[C@H](C)c3cccc(C#N)c3)c2)c1 610355502 SQDYFERBSAIHMY-GOSISDBHSA-N 427.508 5.071 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@@H](C)c1cccc(C#N)c1 610364626 WUMDNYUTMLTIFY-GJZGRUSLSA-N 425.941 5.366 30 20 IKED N#C[C@H](NC(=O)c1ccccc1SCc1ccco1)c1ccc(OC(F)(F)F)cc1 611250859 CNGGFFZOOCYRNL-SFHVURJKSA-N 432.423 5.465 30 20 IKED Cc1nc(-c2ncccn2)sc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 614387853 PQUGYCKMQDDTSA-NSHDSACASA-N 445.451 5.027 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 615080700 OMLPHIDUNWEXRE-UHFFFAOYSA-N 446.494 5.595 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)NCc4ccc(C#N)c(Cl)c4)cc3)o2)cc1 619776740 PEMXDWGWMRICTC-UHFFFAOYSA-N 428.879 5.167 30 20 IKED COc1ccc2c(c1)OCCN(C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)C2 619791993 NIIVRBHYVSRYKC-QFIPXVFZSA-N 447.922 5.431 30 20 IKED N#C[C@H](C(=O)c1ncoc1-c1ccc(F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 681173564 HFASUGNFDPIRNA-CYBMUJFWSA-N 431.370 5.599 30 20 IKED N#C[C@@H](C(=O)c1ccc(OCC(F)(F)F)cn1)c1nc2cc(C(F)(F)F)ccc2s1 683689324 AKBZFZGLLQILSW-NSHDSACASA-N 445.344 5.141 30 20 IKED CC(=NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1 726426421 YEEMZSPMIREEFS-UHFFFAOYSA-N 435.471 5.129 30 20 IKED C#Cc1cccc(N(Cc2ccccc2)C(=O)C2CCC(NC(=O)CC3CCCC3)CC2)c1 728248639 SQDZVTMFRVULRB-UHFFFAOYSA-N 442.603 5.456 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)cc1 730397118 XPYBSJHZGXNIOX-LJQANCHMSA-N 433.826 5.104 30 20 IKED N#C[C@H](C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1nc2cc(F)ccc2s1 730416974 JMDZMZGQJNJJHJ-UXHICEINSA-N 443.503 5.173 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C(c1ccccc1)c1ccccc1 731061627 FLFKZVLKFZOHSK-IBGZPJMESA-N 444.556 5.252 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)c1 733843129 AMMHBSFWUIZOAN-QFIPXVFZSA-N 431.540 5.057 30 20 IKED Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1ccc(F)nc1 733913400 MPYNHEBSOAJVNZ-LJQANCHMSA-N 436.468 5.055 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N[C@H](c2ccccc2)C2CCOCC2)c1 734353172 UEHKDWFESJGBEW-AREMUKBSSA-N 426.516 5.035 30 20 IKED C=CC[C@H](NC(=O)N[C@H](Cc1ccccc1C)c1ccc(OC)c(OC)c1)c1ccncc1 734665288 KYBSDIVOXIEIKN-BJKOFHAPSA-N 445.563 5.308 30 20 IKED C=C(Cl)CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1 735970243 YKWYSCJQIIEZAC-IBGZPJMESA-N 427.957 5.016 30 20 IKED C=CCNC(=S)/C(=C(/O)c1ccc(F)c(Cl)c1)[n+]1ccc(Cc2ccccc2)cc1 736273875 GPWJWYSKEHCYCP-UHFFFAOYSA-O 439.963 5.344 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1)C(C)C 740454702 FOWWCFZOVFISND-UHFFFAOYSA-N 446.576 5.365 30 20 IKED Cn1cc(-c2cccc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c2)cn1 741566028 XIOOZTBPMBKUBL-UHFFFAOYSA-N 430.455 5.364 30 20 IKED C[C@@H](C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccc(Br)s1 742695427 PWYKCTWIKOOPKT-GFCCVEGCSA-N 431.380 5.531 30 20 IKED C#CCOc1cccc(NC(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 743146867 KAHXSPGKKBRWMW-UHFFFAOYSA-N 431.439 5.163 30 20 IKED CC(C)(C)c1ccc(-c2ccc(C=Nn3cnc4c(cnn4-c4ccccc4)c3=O)o2)cc1 743427085 OKFQSNMAYBCFPB-UHFFFAOYSA-N 437.503 5.022 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C(/C)c2cccc(C(F)(F)F)c2)cc1Cl 744032447 KCXUZKREUJFBJY-IYCSXQJISA-N 436.817 5.118 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)[C@@H](Sc3ccccc3F)c3ccccc3)o2)c1 744976540 KRGMHUBEKZFMMS-QFIPXVFZSA-N 445.475 5.324 30 20 IKED Cc1c(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)cnn1-c1ccccn1 748442570 VQFBRJFFLPNGRK-OUKQBFOZSA-N 442.906 5.378 30 20 IKED Cc1ccc(-c2nn(CN3CCC[C@H]3[C@@H](C#N)c3ccccc3)c(=O)c3ccccc23)cc1 751933898 LROVKKKQJWJBTA-UIOOFZCWSA-N 434.543 5.101 30 20 IKED O=C(COc1ccc(C(=O)/C=C/c2cnc(-c3ccccn3)s2)cc1)Nc1ccccc1 753140444 BBOITWBUYTXSIJ-BUHFOSPRSA-N 441.512 5.119 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1=S 764948321 ZVNBDMBEFPISFS-GOTSBHOMSA-N 449.624 5.109 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 765463105 HKHSUFVHGKBXNG-ROUUACIJSA-N 445.629 5.693 30 20 IKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)O[C@@H](C#N)C(C)(C)C 765635475 YMKLFXQRXFDGGK-CJNGLKHVSA-N 441.578 5.167 30 20 IKED N#CCCCn1cc(C(=O)Nc2cccc(CC[C@H](O)c3ccccc3)c2)c2ccccc21 768022574 IMNAUMKLBQUGAI-MHZLTWQESA-N 437.543 5.864 30 20 IKED N#C[C@H](NC(=O)c1sccc1SC(F)F)c1ccc(OCc2ccccc2)cc1 768138452 WHURPPPCWLTCGX-KRWDZBQOSA-N 430.501 5.636 30 20 IKED COc1ccc2nc(C)c(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2c1 770119496 PYEOIHFMAMLLFT-MRXNPFEDSA-N 435.455 5.444 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(OC)c(Cl)c2)c1 772646870 VGMHMHUERFIZQV-FQEVSTJZSA-N 448.906 5.375 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)NCc1ccc(OCC#N)cc1 772961062 YOJGGVKTKSRAHJ-AWEZNQCLSA-N 442.382 5.634 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(F)cc3Br)n2)cc1 777294763 BQXRNKDDKNIEDF-MRXNPFEDSA-N 429.314 5.439 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2cccc3ccccc23)n1 778297120 HHQXZQYNXBMXQN-IBGZPJMESA-N 441.512 5.323 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)c3ccccc3n2)o1 780305433 JBICNRMKFIXFKP-QGZVFWFLSA-N 429.863 5.418 30 20 IKED Cc1cc(C(=O)NCc2ccc(C#N)cn2)ccc1N[C@@H](C)c1cc(Cl)ccc1Cl 782027902 SMLMLKKNEIPKSN-HNNXBMFYSA-N 439.346 5.672 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1ccc2c(c1)CCC2)c1nc(-c2c(F)cccc2F)cs1 783364795 VLDHJRNLDNDHGU-KRWDZBQOSA-N 436.483 5.416 30 20 IKED N#CC[C@H](CC(=O)Oc1ccc(Oc2ncc(Br)cn2)cc1)c1ccccc1 796991796 PASRQUAECDKPNL-MRXNPFEDSA-N 438.281 5.024 30 20 IKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(CC)C1=O 799219344 QIIYGBCZHCMILW-LJQANCHMSA-N 445.972 5.109 30 20 IKED COc1ccc2ccc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2c1 814499714 UMEQHTZALVIEEO-INIZCTEOSA-N 434.517 5.038 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)cc1 915085896 CRIFAZDFTXCWLP-AREMUKBSSA-N 445.522 6.096 30 20 IKED CCCc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cnn1Cc1ccccc1 915644636 HOBJSNLDRGZBEL-VWLOTQADSA-N 434.543 5.792 30 20 IKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc2ccccc12 916217628 RVMJFMOVFULVJR-QFIPXVFZSA-N 447.560 5.219 30 20 IKED Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916846744 DIDKMPQXENGYBI-MAUKXSAKSA-N 449.576 5.351 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1 916883160 PPELTWSAXXRGKY-MRXNPFEDSA-N 430.316 5.387 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1 916936358 IHNQSOBADJKJLW-MRXNPFEDSA-N 441.915 5.110 30 20 IKED Cc1cc(C)n(-c2ccc(CC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)n1 916976465 OWXXFZOOTJRYAA-NRFANRHFSA-N 446.963 5.685 30 20 IKED C=CCn1c(COc2ccccc2F)nn(CN2CCC[C@@H]2c2cccc(F)c2)c1=S 917485675 DOTSADLNFOBLEJ-HXUWFJFHSA-N 442.535 5.252 30 20 IKED Cc1ccc(-c2noc(CCC(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)n2)cc1F 918491560 CSKNIBHBDPOONF-AWEZNQCLSA-N 440.887 5.256 30 20 IKED CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1ccccc1OCC#N 919973353 WOUYJLBAESVUOC-UHFFFAOYSA-N 440.908 5.400 30 20 IKED COc1ccc2cc(/C=C/C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)ccc2c1 920143476 WSLVBWHPSVGFCS-ZIGLLSCRSA-N 435.508 5.733 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cn4ccccc4n3)CCC2)cc1 1785842117 NEKOVBAYGUFUKO-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@H]4C4CC4)cc3)CCC2)c1 1786058266 GLVGMAPCEJQZKV-GAZXMLTASA-N 427.548 5.107 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc4cccnc4s3)cc2)CCC1 1788969554 DJGZRRFCPWBDPN-UHFFFAOYSA-N 431.561 5.238 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3cccc(OC)c3)CCC2)cc1 1789451241 CTWRFZCJOIRMRA-DEOSSOPVSA-N 432.564 5.140 30 20 IKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)CCC=C(C)C)cc3)CCC2)c1 1790451689 FRULTIJVGGFMCI-UHFFFAOYSA-N 431.536 5.061 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C)cc2C)[C@H]1c1cccnc1 1802495893 NXBUETWUULXQBL-VWNXMTODSA-N 433.596 5.010 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2Cl)[C@H]1c1cccnc1 1811699992 KYVOWPCINUAVCY-SIKLNZKXSA-N 439.987 5.047 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3sccn3c2)CC1 1823752682 KJLVWTZYHIRNLJ-NRFANRHFSA-N 441.641 5.227 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 1824142460 RDXYFOHJMYSLEQ-RUZDIDTESA-N 433.596 5.170 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)cc2OC)CC1 1824146520 ZNGLOGMVKCUVNP-DEOSSOPVSA-N 438.612 5.005 30 20 IKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)c(Cl)c1 1829957208 DONCZHLLGMLRIH-DEOSSOPVSA-N 449.982 5.067 30 20 IKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](CCC)CC2)CC1 1831561668 OJFSGIDUEBYEFY-YMPZKCBVSA-N 434.690 5.132 30 20 IKED Cc1cc(Cl)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)c1 1832609831 JJMKOFAIQFNESI-XMMPIXPASA-N 449.982 5.067 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cccc(OC)c2)cc1 11261601 ZIBGBYPIIXCULO-UHFFFAOYSA-O 445.608 5.475 30 20 IKED C[C@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)Nc1ccc(C#N)c(Cl)c1 16763979 OCNWYUYCNNCIMV-NSHDSACASA-N 432.983 5.308 30 20 IKED Cc1ccc(C)c(OCc2nnc(SCc3ccc(-c4ccccc4C#N)cc3)o2)c1 22415774 CKOKGLBIPQYUOV-UHFFFAOYSA-N 427.529 6.096 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccccc2F)cc1 22696135 AIEAFSIQTSIMSB-UHFFFAOYSA-O 429.487 5.395 30 20 IKED N#Cc1cccc(CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)c(Cl)c2)c1 24965921 BXJYNSFJPYCZHY-UHFFFAOYSA-N 438.343 5.800 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)cs1 60477549 FQCRRFGWHYRLCC-QGZVFWFLSA-N 429.328 5.956 30 20 IKED CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccccc1-c1ccccc1C#N 108246689 NRNBDMVOYPNUSU-UHFFFAOYSA-N 438.506 5.459 30 20 IKED CC(C)[C@H](c1ccccc1)N(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 303456659 DYKSRVXXACOSDN-LJQANCHMSA-N 437.594 5.563 30 20 IKED CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C12CCCC2 303829689 HAXYXVHHFKEUMW-DHIUTWEWSA-N 446.551 5.012 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CNc2ccc(F)cc2OCCC(F)(F)F)c1C 409866453 XWIYANYHCWQKJK-UHFFFAOYSA-N 437.437 5.133 30 20 IKED CC(C)c1[nH]nc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1[N+](=O)[O-] 433979262 BYCJQZUPEPZPJJ-UHFFFAOYSA-N 425.832 5.011 30 20 IKED CCOc1ccc2c(c1)CCN(C(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)C2 434206420 KPCVTHXREJCKHD-UHFFFAOYSA-N 441.531 5.321 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCC[C@@H]4[C@H](C#N)c4ccccc4)cc3)o2)cc1 436338290 BTKKDQPGWTUVLJ-JWQCQUIFSA-N 448.526 5.624 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCOC[C@@H]1c1ccccc1 437957754 BBAZEEXNKWFDMT-RUZDIDTESA-N 427.504 5.051 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 438082155 SGTUBGUMFSYIFQ-GMAHTHKFSA-N 446.938 5.618 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H](c2ccccc2)c2ccncc2)cc1F 438650137 OWHONAQTUITUQU-RUZDIDTESA-N 438.462 5.796 30 20 IKED CC(C)Oc1ccc(NC(=O)C(=O)Nc2cccc(CO[C@@H]3CCC[C@@H](C)C3)c2)cc1C#N 438721711 LERBMUSJZVPKLE-WZONZLPQSA-N 449.551 5.018 30 20 IKED COc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc(Cl)c1O 442870376 JZLJIGBVKRTSNQ-KRWDZBQOSA-N 427.287 5.615 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c2ccccc21 443928887 QEHIHKOLRJEOMZ-UHFFFAOYSA-N 438.535 5.182 30 20 IKED C=CCOc1ccc(/C=C\c2nc(CC(=O)Nc3cccc4ccccc34)no2)cc1OC 445334223 WWFLROZBRGRWBT-OWBHPGMISA-N 441.487 5.148 30 20 IKED C=CCc1cc(CNC(=O)CCC(=O)c2cc(Cl)sc2Cl)cc(OC)c1OC 446147115 ZSCNLNWYTKYHEL-UHFFFAOYSA-N 442.364 5.080 30 20 IKED N#Cc1cccnc1OC1CCC(NC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)CC1 446629646 BDNMFEWOXIULJV-SLXFGWRHSA-N 443.551 5.061 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(OCc2ccccn2)cc1 460700763 UCSUZPKBIKLLFV-UHFFFAOYSA-N 436.471 5.280 30 20 IKED CC(C)c1cccc(O[C@H](C(=O)Nc2cnn(-c3ncccc3C#N)c2)c2ccccc2)c1 461307011 JTSIAQYXTLMDKV-DEOSSOPVSA-N 437.503 5.021 30 20 IKED CSc1cccc([C@@H](NCC(=O)Nc2ccc(CC#N)cc2)c2ccc(F)c(F)c2)c1 462177515 FZDILYLRGHCECJ-XMMPIXPASA-N 437.515 5.070 30 20 IKED N#CCCCOc1cccnc1NC(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 466610950 NJBRTBVJZVMIDR-HXUWFJFHSA-N 448.502 5.052 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)N[C@H](C)c1ccc(C#N)cc1 467163442 UJTNASQKXVOVAQ-MRXNPFEDSA-N 432.911 5.655 30 20 IKED C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 467747855 VKKCUPNUFIBMPP-LKDDOFHYSA-N 434.605 5.252 30 20 IKED FC(F)(F)c1cc([C@H]2CN(c3ccc(C(F)(F)F)nn3)CCO2)cc(C(F)(F)F)c1 469562288 OQAVPPZMZHEKEZ-GFCCVEGCSA-N 445.285 5.111 30 20 IKED N#CCCN(Cc1ccco1)C(=O)C(=O)Nc1ccc(Cl)cc1-c1ccc(Cl)cc1 472733712 VDBHYLCZQISEKL-UHFFFAOYSA-N 442.302 5.134 30 20 IKED C[C@H](NC(=O)N1CCSC[C@@H]1c1nccs1)c1ccc(-c2cccc(C#N)c2)cc1 474003999 AILHCXKRSJAIRK-HRAATJIYSA-N 434.590 5.242 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1 475531251 MIBODVMJYHNBIG-FQEVSTJZSA-N 444.362 5.428 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 476371702 YGJRNHNESALJHK-QRWLVFNGSA-N 448.419 6.163 30 20 IKED O=C([C@H]1CCC(F)(F)C1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 480936882 RNZPMINQURNPKQ-IINYFYTJSA-N 431.323 5.060 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 483331438 GNWLMHLDMRNFHL-UHFFFAOYSA-N 434.361 5.002 30 20 IKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4cncnc4)cc3F)c2C#N)C1 483918823 WYZRLASMGHERPV-INIZCTEOSA-N 434.540 5.619 30 20 IKED CCc1nc(C2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)n[nH]1 484177084 MBGSBOAWFQFPND-HXUWFJFHSA-N 448.958 5.087 30 20 IKED CC(C)c1c(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cnn1-c1ccccc1Cl 485136663 LZMQOZXIJCJLOW-JOCHJYFZSA-N 449.942 5.126 30 20 IKED C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(CC(=O)Nc2ccccc2SCC#N)C1 485972566 IXXSHYOIZDWKGW-HNAYVOBHSA-N 433.499 5.343 30 20 IKED N#Cc1cccc(COc2cccc(NCc3nc(-c4cc(F)c(F)c(F)c4)no3)c2)c1 486435037 PREKKOVRZUWCJW-UHFFFAOYSA-N 436.393 5.217 30 20 IKED N#CCCC[C@H](NC(=O)CC1(CC(=O)Nc2nccs2)CCCCC1)c1ccccc1 487216217 DTSCIWKSSXYTMY-FQEVSTJZSA-N 438.597 5.364 30 20 IKED CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 487607783 PBFWFGJKUMFKOV-UHFFFAOYSA-N 437.858 5.140 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC12CCC(C(F)(F)F)(CC1)CC2 488416185 BPTVIUDPRUAADP-UHFFFAOYSA-N 430.495 6.095 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C(=O)Nc3ccccc3OC)C(C)C)o2)cc1 489796044 WKDVPFBXELMIRV-FQEVSTJZSA-N 439.537 5.065 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccccc1)[C@@H](CO)C1CC1 490326571 IRZQABKVGZSENQ-SANMLTNESA-N 441.531 5.464 30 20 IKED C=CCn1c(SCc2cc(C#N)ccc2Br)nnc1-c1ccccc1OC 491573009 PZBXLYWHWTZZGB-UHFFFAOYSA-N 441.354 5.066 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C 493104460 LYJXTTJTGUARGI-UHFFFAOYSA-N 425.492 5.120 30 20 IKED N#Cc1ccccc1-c1ccc(CS(=O)(=O)Cc2coc(-c3cccc(F)c3)n2)cc1 494703584 NLEBERMURWTYAM-UHFFFAOYSA-N 432.476 5.134 30 20 IKED CC(C)(C)c1nc(CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cs1 498586682 BRXCNVDAZZMMSM-UHFFFAOYSA-N 435.618 5.577 30 20 IKED O=C(COc1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1OCCC(F)(F)F 500215715 DFFVONXHNGZHBZ-UHFFFAOYSA-N 425.300 5.193 30 20 IKED C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 501476172 HGABUOOPDJREKS-CJAUYULYSA-N 439.515 5.178 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)c1 502262182 CJMVJQTXKSNODI-UHFFFAOYSA-N 446.482 5.082 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)N(Cc1cccs1)Cc1cccs1 502812716 GHSRGTNBLFVWIW-UHFFFAOYSA-N 434.508 5.592 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](CC1CCCC1)c1ccccc1 503676476 JMBYXCLAOJRDMQ-AVRDEDQJSA-N 435.593 5.457 30 20 IKED N#C[C@@H](NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1ccccc1Cl 505661744 NUMYEVANEWXQJQ-OAQYLSRUSA-N 432.936 5.275 30 20 IKED Cc1nc(CSc2ccc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)cc2)cs1 505911859 HKGRPAPGLLVQSW-IBGZPJMESA-N 447.507 5.757 30 20 IKED CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1ccc(C#N)cc1F 506778751 RRDCXSBMLQYDRC-UHFFFAOYSA-N 427.829 5.219 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 509294962 SIBMLFDZWJSEDC-CQSZACIVSA-N 447.310 5.318 30 20 IKED Cc1cc(Cl)cc(C)c1Oc1ccc(Cl)cc1NC(=O)C(=O)NCCCCC#N 510357722 WWVRLJBXGGHVOE-UHFFFAOYSA-N 434.323 5.151 30 20 IKED C[C@H](Sc1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C(N)=O 510466201 VJIRRSAOPKAJMY-YWZLYKJASA-N 449.963 5.214 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(c2ccccc2C)CC1 510914745 HLKAXASSMGWQSA-UHFFFAOYSA-N 426.520 5.322 30 20 IKED CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@H](C)Cc1ccccc1C(F)(F)F 511364498 UIYIYYQMWYBSFH-GFCCVEGCSA-N 429.364 5.084 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCCCC[C@H]2c2ccncc2)cc1 511406890 YYPGUZGIEIJBQZ-SANMLTNESA-N 440.547 5.876 30 20 IKED CC(C)Oc1ccc([C@@H](C)NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 511502455 FETVYTDORFCJEZ-GOSISDBHSA-N 442.519 5.480 30 20 IKED COc1cc(C#N)ccc1OCCCc1nc([C@@H](F)c2ccc(C(F)(F)F)cc2)no1 512023649 JGEZRXSAXPKRER-IBGZPJMESA-N 435.377 5.039 30 20 IKED C[C@H](SCC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1nc2ccccc2[nH]1 515215177 BSIAUCOICVBOOC-KRWDZBQOSA-N 442.544 5.446 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N(CCC(C)C)Cc1ccc(Cl)c(Cl)c1 515989256 NQSKEZZNVMTVJY-UHFFFAOYSA-N 449.426 5.728 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)Cc3csc(-c4ccc(Cl)s4)n3)c2C#N)C1 518487717 KADKPRPLDDYOOD-SNVBAGLBSA-N 434.011 5.764 30 20 IKED CCc1c(-c2ccc(Br)cc2)n[nH]c1NC(=O)CSc1ccc(C#N)cc1 521154312 VSMXYXBDVIBDMJ-UHFFFAOYSA-N 441.354 5.004 30 20 IKED CCOc1cc(-c2nnc(S[C@H](C#N)C3CCCCC3)o2)cc(OCC)c1OCC 522333438 XRUQBKNYUKWHHC-LJQANCHMSA-N 431.558 5.497 30 20 IKED Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 523420121 FRXFJMLNQIYVCL-SIKLNZKXSA-N 438.531 5.529 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12)c1ccc(C(F)(F)F)cn1 524912111 AEPQVOVFPIKQIX-LJQANCHMSA-N 435.380 5.945 30 20 IKED CN1CCC[C@H](CNC(=O)c2ccccc2Sc2ccccc2C#N)[C@H]1c1cccs1 525040588 LCVKNFNFVDMXPR-DVECYGJZSA-N 447.629 5.584 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](c3ccccc3C)[C@H]3CCC[C@H](C)C3)CC2)o1 526004443 YILXEMLDDDTUCN-JBUDQFAYSA-N 434.584 5.063 30 20 IKED N#Cc1cc(F)c(C(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)c(F)c1 534235587 HGPZZOQIBQSUJB-UHFFFAOYSA-N 425.140 5.337 30 20 IKED Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c(Br)c1 534362311 BFMKPPVRHUGPHX-QFIPXVFZSA-N 435.321 5.331 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)cc1 537105551 LNAZLWAKBNUXPW-HXUWFJFHSA-N 431.496 5.068 30 20 IKED CCN(C(=O)c1cc(C)nc2c1cnn2Cc1cccs1)c1ccc(C#N)c(Cl)c1 538072556 IGOXWTOWOAJGQL-UHFFFAOYSA-N 435.940 5.041 30 20 IKED CCc1nc2ccccc2n1C1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 539023568 XGFCDGMHMZQANG-UHFFFAOYSA-N 434.543 5.615 30 20 IKED O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1cc(OC(F)F)cc(OC(F)F)c1 540487883 GIUSXLBLKRLSKN-UHFFFAOYSA-N 445.262 5.222 30 20 IKED CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2ccc(Cl)c(C#N)c2)c1 543441746 YLFCFLWKKMZKFZ-QGZVFWFLSA-N 431.923 5.574 30 20 IKED COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 544232829 DCLIXMYEEUXCKK-CLJLJLNGSA-N 439.559 6.259 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(Br)c(OC(F)(F)F)c2)n1 549162855 YGHRDXBYGNCSHE-JTQLQIEISA-N 433.249 5.418 30 20 IKED C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1csc([C@H](C)OCC)n1 549603940 MXZOTQKXWGJDIG-INIZCTEOSA-N 446.020 5.289 30 20 IKED Cc1ccc([C@@H](NC(=O)CNc2ccccc2SC[C@H](C)C#N)c2cccs2)cc1 553010675 VAWZAMIGONHKPM-HOYKHHGWSA-N 435.618 5.626 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1 554714232 QQTFTLFAGZVDEG-UHFFFAOYSA-N 431.883 5.009 30 20 IKED C[C@H]1CN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c2ccccc2NC1=O 556477368 MZLFNOSYZQCLQK-HNNXBMFYSA-N 431.879 5.239 30 20 IKED N#CCCC[C@H](NCc1csc(-c2cccc(Br)c2)n1)c1ccccc1 556906887 FEXWBAAGKLKZER-FQEVSTJZSA-N 426.383 6.097 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CCCC(=O)c1ccc(Br)cc1 558753446 KUNSWCABLMCAHJ-UHFFFAOYSA-N 443.728 5.261 30 20 IKED C=C(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@]2(C1)OCc1ccccc12 558999693 MHXJRSIXQGCFHO-HHHXNRCGSA-N 437.547 5.014 30 20 IKED N#C[C@@H](C(=O)c1csc(Cc2ccc(F)cc2)n1)c1nc2ccccc2n1C(F)F 559295852 MQDJYLASLUSNIX-AWEZNQCLSA-N 426.423 5.108 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1 560811587 LPSDTKYEXLZHQQ-NRFANRHFSA-N 430.470 5.404 30 20 IKED N#CCC1CCN(C(=O)Nc2ccc(Oc3cccc(F)c3)c(Br)c2)CC1 574030209 KBYYHQOYJIMJAV-UHFFFAOYSA-N 432.293 5.538 30 20 IKED CC[C@H](c1ccccc1OC)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 574908810 IGYMCYBEFLCDEV-RUZDIDTESA-N 443.547 5.955 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2ccncc2C(F)(F)F)c1 575785846 ZELJASNDVBIVMX-UHFFFAOYSA-N 431.801 5.348 30 20 IKED CC[C@@H](c1ccccc1)c1nnc(SCC(=O)c2cn(CCC#N)c3ccccc23)o1 589890613 HCULQJKTHNTMDL-SFHVURJKSA-N 430.533 5.455 30 20 IKED CCOc1ccc(C(=O)CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 590276174 RTCATWSIMWXDLK-UHFFFAOYSA-N 442.515 5.446 30 20 IKED CCN(CC)C(=O)c1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 591020035 AXTUNOFXCUYAAL-MRXNPFEDSA-N 445.466 5.287 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 599510507 MNEKNCVJZTVOKD-OLZOCXBDSA-N 437.311 5.650 30 20 IKED N#Cc1ccccc1COc1cccc(CNc2ccc(N=S3(=O)CCCC3)cc2)c1 600852111 NHVVNAJSBSHGAQ-UHFFFAOYSA-N 431.561 5.643 30 20 IKED CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 603450132 MFNIXHXSHANRIG-UHFFFAOYSA-N 442.949 5.019 30 20 IKED C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1cccc(C(F)(F)F)c1 603649709 FUTZNYBPVFYZGH-CYBMUJFWSA-N 430.455 5.507 30 20 IKED C[C@H](NC(=O)[C@@H](C)Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)c1ccc(F)cc1 603818326 AWSQGWZWZFYQLO-LSDHHAIUSA-N 435.524 5.199 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2ccc(OC(F)(F)F)cc2)cc1 604003557 MZMXMFCERGZHGL-UHFFFAOYSA-N 440.421 5.411 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3cc(-c4ccco4)n(-c4ccc(Cl)cc4)n3)[nH]c12 605363059 FTRAYEYNVAKINV-KRWDZBQOSA-N 441.878 5.461 30 20 IKED COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609046668 IKNIPMLVAADGFM-LADGPHEKSA-N 445.950 6.373 30 20 IKED Cc1ccc(C(=O)Nc2cc(C#N)ccc2OC(F)F)cc1NC(=O)c1ccccc1F 609067131 UXUBOPDHCCAJEJ-UHFFFAOYSA-N 439.393 5.112 30 20 IKED N#CCn1c(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc2ccccc21 609215660 ICQYHOJDXQTMHP-UHFFFAOYSA-N 433.345 5.909 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H](C)NC(=O)CC1CCCCC1 609525987 FHWNXQXXDVHUAN-IBGZPJMESA-N 435.543 5.014 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cccc(NC(=O)NC2CC2)c1 609526069 NJTHFKOIRIPXRC-UHFFFAOYSA-N 442.494 5.137 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)o1 609700248 OTVCUGFKYLAUQU-FQEVSTJZSA-N 438.936 5.314 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)NCc1ccc(C#N)cc1F 610019758 QIJNDCZXTRHLJZ-UHFFFAOYSA-N 431.446 5.020 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 610173468 ZACAKYLHCJCGFB-UHFFFAOYSA-N 434.496 5.062 30 20 IKED CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)c2cc3ccccc3n2CC#N)n1 610650274 ZOBPYCUYCQKVRI-UHFFFAOYSA-N 433.899 5.319 30 20 IKED CC(C)OC1CCC(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 611048116 KOAVRCNCUWKOER-ZOGYUUGASA-N 425.960 5.853 30 20 IKED COc1cccc([C@H]2C[C@@H](C)CN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1 612298635 CJUIGKOEWIEDAY-UZUQRXQVSA-N 428.492 5.369 30 20 IKED N#Cc1ccc(NCc2nc(-c3ccccc3-c3ccc(Cn4cccn4)cc3)no2)cc1 612880074 VIHPHNNAEHXKEU-UHFFFAOYSA-N 432.487 5.132 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)nnc1-c1ccccc1 613808900 IKOUQQHVSVTAFH-KRWDZBQOSA-N 432.549 5.189 30 20 IKED O=C(Cc1csc(-c2cccc(F)c2)n1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618297585 KWEJGQNIHMGSGG-VXGBXAGGSA-N 440.384 5.081 30 20 IKED C[C@H](C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccccc1C(F)(F)F 643844997 DGZGKGNATSMHDA-NSHDSACASA-N 445.338 5.791 30 20 IKED O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 681478218 PHTVZGVZOBSSQK-AOOOYVTPSA-N 428.682 5.563 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C(=O)c1ccccc1)c1ccccc1 684254697 HTFMNGFQVLZRHA-RUZDIDTESA-N 446.620 5.209 30 20 IKED CC(=NNc1nc2ccccc2c(=O)n1CCCOC(C)C)c1ccc(Cl)cc1Cl 725843532 USJQEVJUKWBOOK-UHFFFAOYSA-N 447.366 5.355 30 20 IKED C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(OCc3cscn3)c(OC)c2)c1 728182408 OJTHVLDQNAPIHF-UHFFFAOYSA-N 444.512 5.152 30 20 IKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1C1CCC1 730460226 VLSJMRKOKGLHSZ-LJQANCHMSA-N 445.947 5.300 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 731400018 KGVHNHABKUDCNH-KSFYIVLOSA-N 427.545 5.197 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(C)[C@H](C)c2ccc(C(F)(F)F)cc2)ccc1OC 733655795 CEXSPOZLARJENA-DNVCBOLYSA-N 449.473 5.298 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H]2c2ccc(Br)cc2)c1 733804348 CCLYJYSAVJSRAP-FPOVZHCZSA-N 442.357 5.177 30 20 IKED CC[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Cl)s1 734075150 ZTNUJLWVLOJIRS-MOPGFXCFSA-N 437.952 5.263 30 20 IKED C=CC[C@@H](NC(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12)c1ccncc1 734652100 FIYNXLJFWFFEFY-ZJSXRUAMSA-N 444.966 5.965 30 20 IKED Cc1cccc(-c2noc(CON=C(Cc3nc4ccccc4n3C)c3ccccc3)n2)c1 736299061 CSSRLHKTLYZKKI-UHFFFAOYSA-N 437.503 5.095 30 20 IKED COc1ccc(C(C)=NNc2cccc(C(F)(F)F)n2)cc1CSc1ncccn1 739422312 VNDCELAXFAACGX-UHFFFAOYSA-N 433.459 5.027 30 20 IKED Cc1ccc2oc(CN(Cc3ccco3)C(=S)Nc3ccc(C#N)c(Cl)c3)cc2c1 739438292 VNJPJCAJINMLTO-UHFFFAOYSA-N 435.936 6.259 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)[C@@H]3C[C@H]3c3ccccc3OC(F)(F)F)c2)s1 741194504 YKZJRUCEOHGTSQ-RBUKOAKNSA-N 442.462 5.605 30 20 IKED FC(F)(F)COc1ccccc1C=Nn1c(S)nnc1-c1ccc(Cl)cc1Cl 741759908 ZUGFQNVYOVAPNE-UHFFFAOYSA-N 447.269 5.364 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 741924310 FIRTUULLTDGRBW-AWEZNQCLSA-N 426.463 6.417 30 20 IKED C=CCn1c(SC[C@@H](O)c2ccc(C)cc2)nnc1-c1ccc(Br)cc1 743253720 TTWMWBBMCOBTQL-GOSISDBHSA-N 430.371 5.028 30 20 IKED CC(C)(C)c1ncc(/C=C\C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)s1 744029113 OGPBSMVCUJOKNY-FNDLEWIFSA-N 445.544 5.594 30 20 IKED C[C@H](Oc1ccc(F)c(F)c1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 744939397 YAPJHKCQFWORCY-JOYOIKCWSA-N 426.366 5.237 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)C[C@@H](O)c2cccs2)cc1 752223574 DEVDNSIZSXOTAC-HNAYVOBHSA-N 437.521 5.054 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cccc(CCC(F)(F)F)c2)ccc1OC 753894198 RYJRJKIANHLPGV-GOSISDBHSA-N 435.446 5.193 30 20 IKED O=C(/C=C\c1nc(-c2cc(Cl)ccc2Cl)cs1)c1cccc(N2CCOC2=O)c1 753900270 LYOANIIDWMGMLH-SREVYHEPSA-N 445.327 5.970 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H](OC2CCOCC2)c2ccccc2)cc1 758410138 NQWKZPVARIFHOT-FTJBHMTQSA-N 426.516 5.217 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)c3cc4sc(Nc5ccccc5)nc4s3)CCO2)c1 762300509 SBVRAEWNFFNUGT-SFHVURJKSA-N 446.557 5.187 30 20 IKED N#C[C@@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)C(=O)Nc1ccc(F)c(Cl)c1 769944052 CHJMQUPMGZJDSZ-IAOKNECISA-N 445.199 5.426 30 20 IKED C=CCn1c(-c2ccco2)nn(CN2CCC(n3c(CC)nc4ccccc43)CC2)c1=S 771629306 VBTMUIUELWAMCC-UHFFFAOYSA-N 448.596 5.067 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 773196499 TVMJLLVPXGHSOG-UHFFFAOYSA-N 425.941 5.301 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3C[C@H](O)c3ccc(F)cc3)cn2)c1 773260402 FOOJCDGCOXXVBH-GMAHTHKFSA-N 446.482 5.005 30 20 IKED O=C1C/C(=C/c2csc(-c3cccc(Br)c3)n2)C(=O)c2ccccc2N1 774142789 RPRMGEWCIKNBIS-LCYFTJDESA-N 425.307 5.181 30 20 IKED Cc1cc(C)cc(-n2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2C)c1 777304393 POTRKJYRWYKZOV-QGZVFWFLSA-N 441.318 5.066 30 20 IKED Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1 778296377 YZPGFSSIBGGRNH-CQSZACIVSA-N 431.851 5.011 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1 780178388 SRSJWEIWSACKEN-CYBMUJFWSA-N 428.275 5.724 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 780682787 YBXXOVDWRHBCRO-QFIPXVFZSA-N 442.563 5.144 30 20 IKED C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(-c2ccco2)nn(CN2CCC(CC#N)CC2)c1=S 781572528 RLIHHSUHLVFAPS-BTHPGYMESA-N 425.602 5.254 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 781610780 ZJHOSODSSJDKIH-UHFFFAOYSA-N 446.419 5.047 30 20 IKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCC#N)c1 784125412 PBIRVIOCZSAWFO-QFIPXVFZSA-N 448.592 5.130 30 20 IKED CCCCN(C)c1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 784720894 KLYZVFFGEHRXHD-VWLOTQADSA-N 440.547 5.156 30 20 IKED CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1 791579092 ZOLULUNDHQUTKX-UHFFFAOYSA-N 446.290 5.063 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1Br 793122680 DCXUUGBMTMRCMH-ZDUSSCGKSA-N 426.097 5.026 30 20 IKED CC(=NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccc(N2CCCC2)cc1O 794979805 UKBDKPOXBDQHMD-UHFFFAOYSA-N 441.457 5.304 30 20 IKED CC(=NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccc(Br)cn1 794980771 DKGWXNZPJWPPIG-UHFFFAOYSA-N 436.235 5.156 30 20 IKED O=C(NCc1cccnc1F)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F 797629686 MHRBGFKCOWNMEU-UHFFFAOYSA-N 427.345 5.216 30 20 IKED C#C[C@@H](NCc1csc(N(C(C)=O)c2ccc(F)cc2)n1)c1ccc(Cl)cc1F 809699812 STVFVMBOMPOJIM-HXUWFJFHSA-N 431.895 5.223 30 20 IKED CN(CCC#N)c1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 814280083 XFUKBFVJXHPYNT-WOJGMQOQSA-N 431.945 5.235 30 20 IKED C[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1ccc(C(F)(F)F)nc1Cl 816763958 HAFWBMKZPIJHAF-CYBMUJFWSA-N 434.849 5.503 30 20 IKED COc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3ccc(F)cc3)s2)cc1OC 839397902 DUGOYKDFENFHAI-UHFFFAOYSA-N 440.525 5.001 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(C3CCCC3)C2=O)c1 916211892 RYVVGHNFIAWHEY-OAQYLSRUSA-N 439.556 5.345 30 20 IKED COc1cc(-c2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)ccc1OCC#N 916370011 ZAHOVALZVJNLIM-UHFFFAOYSA-N 437.421 5.681 30 20 IKED COc1cc(C#N)ccc1OC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 916878225 LXCWSVPJISZYCZ-UHFFFAOYSA-N 426.881 5.062 30 20 IKED Cc1cccc(CSCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 916910669 UDEFSYLKAGQEFP-NRFANRHFSA-N 430.529 5.368 30 20 IKED Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)C2)c1 917027084 WGVMRJRWEYDJCT-IRLDBZIGSA-N 443.572 5.156 30 20 IKED COc1ccc(/C=C\C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC 917044298 SHIFYRMSRBNNGK-XSHSDMCLSA-N 432.423 5.222 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 918421355 CRPMWCRMJZDXSH-DNQXCXABSA-N 443.934 5.298 30 20 IKED Cc1csc([C@@H](C#N)C(=O)Cn2c(-c3cccc(Cl)c3Cl)nc3ccccc32)n1 920103511 CQBFEZUGLDFJMR-AWEZNQCLSA-N 441.343 5.652 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccccc3Cc3ccccc3)n2)cc1 920140093 BORVXWOYZRCJHF-QHCPKHFHSA-N 449.535 5.528 30 20 IKED COc1ccc(OCc2nnc(S)n2N=Cc2ccc(-c3ccc(C)cc3)s2)cc1 920483339 ZZPRRANZCHNECZ-UHFFFAOYSA-N 436.562 5.074 30 20 IKED CC1(C)CCc2nc(O)c(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cc2C1 1319982331 SKCXDRIRKOETAU-UHFFFAOYSA-N 427.504 5.005 30 20 IKED CC1(C)CCc2nc(O)c(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc2C1 1322819264 RBOGZZABQDEENE-UHFFFAOYSA-N 441.531 5.199 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)C[C@@H]3OCCc4ccccc43)cc2)CCC1 1786314389 MVFIRQHWWINZLM-VWLOTQADSA-N 444.575 5.018 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C)cn3)cc2)CCC1 1786865409 DXOLSVOEFWUGPG-UHFFFAOYSA-N 431.580 5.225 30 20 IKED Cc1ccc2nc(C(=O)Nc3ccc(C4(NC(=O)C5(C#N)CCC5)CCC4)cc3)sc2c1 1787572313 BMOVRMFZDCTWGC-UHFFFAOYSA-N 444.560 5.046 30 20 IKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)nc1 1792122194 DXXVLSJQVGEERN-LJQANCHMSA-N 438.531 5.079 30 20 IKED CC(C)[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCC#C[Si](C)(C)C)C3)CC1 1801817332 WQPLLNZKQXZHRW-KHFMAEOWSA-N 444.736 5.138 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2cccc(C)c2)[C@H]1c1cccnc1 1804036717 UBRJAUUODJSYNI-AOYPEHQESA-N 447.623 5.021 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc(Cl)ccc3OC)CC2)C1 1804865365 PKBMQCRJVIQLAM-UHFFFAOYSA-N 447.019 5.186 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)CCCCC)[C@@H]1c1cccnc1 1810181522 IMMQBRBUFNBKLZ-IQFVJIFQSA-N 425.617 5.072 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C)c(C)c2)[C@H]1c1cccnc1 1811873070 XILRSXHFRQHAMT-DNQXCXABSA-N 433.596 5.010 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ncsc23)[nH]n1 1814829634 VLXOYMBIVHEJOO-HXUWFJFHSA-N 449.580 5.094 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3ncccc3c2)[nH]n1 1819554786 OJCBZHRLZROEHI-JOCHJYFZSA-N 445.567 5.256 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3ncccc3c2)CC1 1823752723 WXSQGISWGXUYBZ-VWLOTQADSA-N 447.623 5.461 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CNc2ccccc2C)CC1 1827004798 MKALTWJPJKMSEB-DEOSSOPVSA-N 439.644 5.019 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccccc2Cl)CC1 1828822581 JPZACZOYEUXTKG-UPVQGACJSA-N 443.031 5.271 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2OCC)CC1 1829918944 ITEGMLIWTPESFL-QHCPKHFHSA-N 440.628 5.311 30 20 IKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 1830770816 HQEYVNIHZONWTH-XMMPIXPASA-N 449.982 5.067 30 20 IKED O=C(/C(=C(\S)Nc1cccc2ccccc12)[n+]1cccc(O)c1)c1ccc(F)c(F)c1 11126347 UKMSMVHZVBVTDV-UHFFFAOYSA-O 435.475 5.162 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1 39221699 BQFSNCXTKXIEHY-ZDUSSCGKSA-N 433.364 5.557 30 20 IKED N#Cc1c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)sc2c1CCCCC2 57759373 YEDFNJZTXWZCME-UHFFFAOYSA-N 444.969 5.323 30 20 IKED CC(=O)c1cccc(OCCCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 58685245 YUNYPPJEXAXCKA-XMMPIXPASA-N 446.934 5.996 30 20 IKED C=CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 64779207 RKOFZMLHIHIJLJ-AWEZNQCLSA-N 443.912 5.358 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(Cl)cc2F)c1 98065726 UYLFPUPARXZFHR-UHFFFAOYSA-N 439.899 5.334 30 20 IKED COc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc(Cl)c1OCC(C)C 303325970 VJSXVULMFOWJOV-OAHLLOKOSA-N 432.973 5.887 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1 426995249 OAUIFQNUTXOBHT-HXUWFJFHSA-N 440.334 5.031 30 20 IKED COCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 429368602 DJJATLGISVACGH-IBGZPJMESA-N 426.925 5.369 30 20 IKED CCc1c(-c2ccc(Br)cc2)n[nH]c1NC(=O)c1cccc(SCC#N)c1 431037202 INADPKRPHPUCGF-UHFFFAOYSA-N 441.354 5.270 30 20 IKED C=CCC[C@@H](NC(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21)c1ccccc1 435757502 ANNZRAVEEJWKKF-GHTZIAJQSA-N 425.960 5.139 30 20 IKED Cc1sc2nc(SCCCCC(C)(C)C#N)n(Cc3ccccn3)c(=O)c2c1C 436212705 VHQXVKOGYJVTHD-UHFFFAOYSA-N 426.611 5.330 30 20 IKED N#CCSc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)c1 438537337 BXDKQDVOQBQQBQ-UHFFFAOYSA-N 441.965 5.199 30 20 IKED CCCc1c(NC(=O)Nc2cccc(-c3nccc(C)n3)c2)cnn1-c1cccc(C#N)c1 439316229 CUSKCAXONDGVLV-UHFFFAOYSA-N 437.507 5.106 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1 439387149 OOGCUKPXKXTRSS-UHFFFAOYSA-N 426.259 5.235 30 20 IKED N#CCC[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccccc1 440258507 UISQSEGEAPMISW-VWLOTQADSA-N 426.495 5.454 30 20 IKED CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 440534350 KVHQSTQYCXPIKE-XMMPIXPASA-N 438.575 5.286 30 20 IKED Cc1ccc2oc(CN(Cc3ccco3)C(=O)C(=O)Nc3cc(C#N)ccc3Cl)cc2c1 440960075 HHSNWKHJSXLOKD-UHFFFAOYSA-N 447.878 5.027 30 20 IKED N#Cc1cc(NC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)ccc1OC(F)(F)F 442085778 WLJACYDIISPWGK-UHFFFAOYSA-N 426.398 5.259 30 20 IKED Cc1cccc2nc(C3CCN(C(=O)Nc4ccccc4SC[C@H](C)C#N)CC3)oc12 444813904 AVRKNZYMWBHKNC-MRXNPFEDSA-N 434.565 5.800 30 20 IKED COCc1ccc([C@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)o1 461480572 NTAIEOBFHDECAA-OAQYLSRUSA-N 445.548 5.007 30 20 IKED N#Cc1cnc2ccc(Cl)cc2c1N1CCO[C@H](c2cccc(Br)c2)C1 462795766 FSCLZDYTAFAOPU-IBGZPJMESA-N 428.717 5.100 30 20 IKED CCc1c(C)sc(NC(=O)c2c(Cl)cccc2I)c1C#N 463703350 AJCMJMBCFGCYQA-UHFFFAOYSA-N 430.698 5.001 30 20 IKED CC(C)OC(=O)C[C@H]1CCCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1 463823332 HGMLOHATNPOTRV-QGZVFWFLSA-N 440.927 5.198 30 20 IKED Cc1nc(C(F)(F)F)sc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 464190486 NOIRNOOPSCVDPS-MRVPVSSYSA-N 429.395 5.362 30 20 IKED C[C@H](C(=O)Nc1cc(C(=O)OC(C)(C)C)ccc1Br)c1cccc(C#N)c1 464356120 OHETUWNEACHLTE-ZDUSSCGKSA-N 429.314 5.018 30 20 IKED C=CCN1CCC(NC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)Cc2cccs2)CC1 465863958 SYJDPQVRLSLWKR-SFHVURJKSA-N 432.033 5.195 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1cc(F)ccc1F)c1ccccc1Cl 466256546 QXJIYLQJISRNFH-QFIPXVFZSA-N 425.866 5.421 30 20 IKED O=C(Nc1cnn(C(F)F)c1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 467434566 DPOSNIMWDPORMS-CTOWWHKXSA-N 445.354 5.339 30 20 IKED CC(C)(C)OC(=O)CCc1cccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1 471346197 PLLROAILLSPTRN-UHFFFAOYSA-N 431.536 5.154 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N(C[C@H]2CCN(Cc3ccccc3)C2)CC(F)(F)F)cc1 476191652 NBAYUUPAJLSKQD-FQEVSTJZSA-N 443.513 5.014 30 20 IKED N#CC[C@H](CC(=O)N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)c1ccccc1 476617294 DFLZCEXDSPKXCY-CRAIPNDOSA-N 430.348 5.392 30 20 IKED CC(=O)Nc1cccc2c1CCCN2C(=O)c1ccc(Sc2ccccc2C#N)cc1 480692316 AAZVHCRRYOSWTB-UHFFFAOYSA-N 427.529 5.261 30 20 IKED CC(C)c1ccc([C@@H](NC(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)C(C)C)cc1 480964304 PAWBKQSYYOJUQT-VGSWGCGISA-N 427.570 5.015 30 20 IKED C=CCn1c(Sc2cc(C(F)(F)F)nc(-c3ccncc3)n2)nnc1-c1cccs1 481813350 JHJVQOMVKDURPJ-UHFFFAOYSA-N 446.483 5.215 30 20 IKED Cc1ccccc1-n1ncc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c1C(C)C 482592913 PKQNLSRRGLEHCK-INIZCTEOSA-N 433.462 5.539 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3cccc(O)c3)C2)cc1Cl 483043527 AZRLMIHUZTVAKY-LADGPHEKSA-N 447.922 5.306 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H](CN2CCC(C)CC2)C1 491720716 FCEDEELOEXCSMF-QHCPKHFHSA-N 446.595 5.635 30 20 IKED N#Cc1ccc(Br)c(CNc2ccc(CC(=O)N3CCc4ccccc43)cc2)c1 492508483 FOAUHBSCRXHOSR-UHFFFAOYSA-N 446.348 5.065 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)NC3CCC(F)(F)CC3)s2)c(C(F)(F)F)c1 496342530 IXRJKZKFKBGXEL-UHFFFAOYSA-N 444.429 5.324 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)CC(C)C)O[C@H](C)C2 499914192 RQJLGYHDXMVPHE-OUOWLKGYSA-N 432.564 5.069 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)n2)c1 502369692 CWWQFQSGIVKXSL-UHFFFAOYSA-N 430.514 5.248 30 20 IKED CC(C)Oc1ccc([C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 507502907 FBPNJBPUJWZCTN-IBGZPJMESA-N 430.573 6.129 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1 508148304 NIUXPQPYQOZIDT-UHFFFAOYSA-N 426.516 5.256 30 20 IKED C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(OCCCOC)CC1 508948157 CEOSTHQAIRCWKI-UHFFFAOYSA-N 447.004 5.021 30 20 IKED C[C@H](Nc1ccc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1)c1ccccc1 510008228 PXGUCXWRJGZXAY-IBGZPJMESA-N 442.538 5.726 30 20 IKED Cc1ccc(-n2ncc(C(=O)[C@H](C#N)c3nc4ccccc4s3)c2C(F)(F)F)cc1 513686576 BPLSMXNVZCQBGK-AWEZNQCLSA-N 426.423 5.299 30 20 IKED N#CCCN(Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)Cc1ccccn1 513750228 DGJOWZZJZWDRMC-UHFFFAOYSA-N 439.346 5.557 30 20 IKED C=CCn1c(SCc2cccc(NC(C)=O)c2)nnc1-c1ccc(Br)cc1 513960591 KZAVXMVGERWALI-UHFFFAOYSA-N 443.370 5.144 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1 514569398 FVXDAFQMTZBKRK-JOCHJYFZSA-N 435.321 5.099 30 20 IKED Cn1ncc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1-c1ccccc1 515407685 FHEIPAGAMGBQGJ-UHFFFAOYSA-N 428.879 5.657 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2)c1 515447631 WFBWSONUKLRDNU-UHFFFAOYSA-N 442.456 5.186 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)n1-c1nccs1 516714286 ZSCJXIJFUQEVQI-SFHVURJKSA-N 429.530 5.036 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@H](CC1CCCCC1)c1ccccc1 518158257 DVOFETGKLPWLQM-JOCHJYFZSA-N 435.593 5.459 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)cc1 518192800 DTAYCTZTXPBQGH-KAYWLYCHSA-N 432.523 6.227 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)cc1 518318839 RBDQAUOJAXJCCG-UHFFFAOYSA-N 429.501 5.238 30 20 IKED N#C[C@H](NC(=O)c1cc2c(F)cc(Br)cc2[nH]1)c1cccc(C(F)(F)F)c1 518321451 PIMIUIADBBTJSU-INIZCTEOSA-N 440.194 5.083 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)CCCc1cc(-c2ccccc2)no1 518683650 ZBVCXMPDPKVAQL-SFHVURJKSA-N 434.565 5.690 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N[C@H]3c4ccccc4CC34CCOCC4)c2)cc1 518844325 ZIZVRGRFAOQVET-VWLOTQADSA-N 439.515 5.566 30 20 IKED CC(C)(C)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1[N+](=O)[O-] 520431427 MLHBMBKKSDDVRK-CYBMUJFWSA-N 441.459 5.784 30 20 IKED Cc1nc(CSc2ccc(C(=O)N[C@@H](C#N)c3ccc(C(C)(C)C)cc3)cc2)cs1 521293548 XSOCGNLMRFNLNV-QFIPXVFZSA-N 435.618 6.036 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC(C(=O)c4ccc(Cl)cc4)CC3)cc2)nc1 521381649 OSMUGWKVRCUAMS-UHFFFAOYSA-N 445.906 5.134 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)c1C 524958404 MRARJMWEWMRHES-OALUTQOASA-N 440.425 5.002 30 20 IKED Cc1ccc(NCc2cccc(OCc3ccccc3C#N)c2)cc1NC(=O)C(C)(C)C 532892874 KUOQJJBUQDLGDI-UHFFFAOYSA-N 427.548 6.042 30 20 IKED N#C[C@H](C(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1nc2ccccc2n1C(F)F 534691224 MQMBAFCSGIAQBF-GOSISDBHSA-N 430.414 5.174 30 20 IKED C[C@@H](NC(=O)N(C)Cc1nc2c(s1)CCCC2)c1ccc(-c2cccc(C#N)c2)cc1 543943926 SOKWGQXIZSYRHA-QGZVFWFLSA-N 430.577 5.463 30 20 IKED C[C@@H](NC(=O)N1CCC([C@](C)(O)C(F)(F)F)CC1)c1ccc(-c2cccc(C#N)c2)cc1 545945477 PRQHMXZJWOKZQM-MWTRTKDXSA-N 445.485 5.021 30 20 IKED COC(=O)[C@H](C)Cc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 546840737 DRCWSNMXIPSGCJ-GOSISDBHSA-N 444.556 5.454 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3nn(-c4ccc(F)cc4)c4c3CCC4)n2)cc1 548926754 BGNUBNCBETYFAH-HXUWFJFHSA-N 442.519 5.422 30 20 IKED O=C(NCC(F)(F)C(F)F)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 548955083 VRVSKMHVHTUNTO-UHFFFAOYSA-N 429.267 5.054 30 20 IKED C=C(C)Cn1c(CCCOc2ccc(Cl)cc2Cl)nnc1N1CCC(C)(C#N)CC1 549279281 GKGLOAGRKIBLKE-UHFFFAOYSA-N 448.398 5.303 30 20 IKED N#CC1(c2ccccn2)CCN(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 554559339 NBQKRJFELBUQNM-UHFFFAOYSA-N 428.483 5.281 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)Nc3cccc(-c4ccccc4)c3)c2)c1 559777117 OPYNAWNTXUDITR-UHFFFAOYSA-N 447.494 5.381 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 562171986 LOFXWNQSMWHYDL-YJYMSZOUSA-N 432.471 5.987 30 20 IKED CN1[C@H]2CC[C@H]1CC([C@H](NC(=O)c1ccc(C3(C#N)CC3)cc1)c1ccc(Cl)cc1)C2 566574193 XOTUBOKSBNABJG-KMDXXIMOSA-N 433.983 5.239 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl 568370603 UMLUJBDFDCNXSP-OAHLLOKOSA-N 444.000 5.649 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)NC3(c4cccc(C(F)(F)F)c4)CC3)o2)cc1 570871656 KAGMBTATRGNRRD-UHFFFAOYSA-N 426.394 5.168 30 20 IKED CC(C)(CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(Cl)cc1 571807465 KTXORQDBGGDPKO-UHFFFAOYSA-N 447.922 5.036 30 20 IKED COc1ccc([C@@H](CCC#N)N[C@@H]2CCCc3c2[nH]c2ccc(Br)cc32)cc1 572319134 IBHRADGLFQJEAC-IFMALSPDSA-N 438.369 5.951 30 20 IKED C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1CCN([C@@H](C)c2nccs2)CC1 575433481 VLEXVJNDVUDQSS-IBGZPJMESA-N 444.608 5.014 30 20 IKED COc1cc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1C#N 575840905 FZUORKPCRXLXTE-NRFANRHFSA-N 430.895 5.197 30 20 IKED O=S(=O)(Cc1ccc(C(F)F)cc1)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 579329725 NBGLDFZGWQJOOK-AWEZNQCLSA-N 447.347 5.366 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1OCC 603690747 PHJMMXIHBPOHFK-QGZVFWFLSA-N 446.507 5.426 30 20 IKED C[C@@H](Oc1ccccc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 603757702 ILXRKGYRLNLQMH-CYBMUJFWSA-N 431.439 5.030 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(C[C@@H](C)c3ccccc3)o2)c1C 603902272 AYPRFSAWAWCPDO-GOSISDBHSA-N 434.565 5.072 30 20 IKED N#Cc1c(SCc2cccc(C(=O)N3CCCCC3)c2)nc2c(c1-c1ccco1)CCC2 603948079 XIOMIIANYRRLQS-UHFFFAOYSA-N 443.572 5.620 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCc2nc(O)c3ccc(C(F)(F)F)cc3n2)n1 604406910 KOGVAXGKUVOAES-UHFFFAOYSA-N 444.360 5.240 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3nccc4ccccc34)s2)c(C(F)(F)F)c1 604532523 VUHKQZGNZWNWIG-UHFFFAOYSA-N 438.434 5.425 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC[C@H](Cc2ccc(F)cc2)C1 605956506 QIIOKBVTWWLZFR-AIANPOQGSA-N 440.403 5.309 30 20 IKED C=CCCCN(C)C(=O)C(=O)Nc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1 606139356 QSXSNNOXFWDQIS-UHFFFAOYSA-N 425.287 5.288 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 606784601 AKHCXGLUXCZMDT-NQIIRXRSSA-N 446.513 5.395 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C(=O)OC(C)C)ccc1Cl 608917017 RBTCIRQKZMRICX-UHFFFAOYSA-N 431.876 5.034 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3cccc(F)c3)C2)cc1Cl 608994891 VSYUIYQADSQALU-VWNXMTODSA-N 449.913 5.740 30 20 IKED COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)CSCc2ccc(C#N)cc2)cc1 609129793 FLXVJRDSDGYIGR-UHFFFAOYSA-N 446.572 5.038 30 20 IKED N#CCn1c(C(=O)N(Cc2ccccn2)c2ccc(Br)cc2)cc2ccccc21 609216287 HNJXFCPVTKDVSN-UHFFFAOYSA-N 445.320 5.169 30 20 IKED CC(=O)Nc1cccc2c1CCCN2C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 609501152 UBXYXRFHBHACPD-UHFFFAOYSA-N 425.488 5.096 30 20 IKED COc1ccc2[nH]cc(CCNC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)c2c1 609601655 KYZRSARAXYXELV-UHFFFAOYSA-N 426.476 5.205 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)NCc3ccccc3OCC(F)(F)F)c2)c1 609642757 KELBAHWAVRWYQH-UHFFFAOYSA-N 440.421 5.008 30 20 IKED COc1cccc(NCc2nnc(S[C@@H](C#N)C3CCCCC3)n2C2CCCCC2)c1 609649089 WJNVCRXEAWVLLM-QFIPXVFZSA-N 439.629 5.969 30 20 IKED N#Cc1c(NC(=O)CCN2CCS[C@H](c3ccccc3)C2)sc2c1CCCCC2 609800466 ISTUCUBJSXWASD-NRFANRHFSA-N 425.623 5.007 30 20 IKED C[C@@H](Sc1nnc(-c2ccc(Cl)s2)o1)C(=O)N(CCC#N)c1ccc(F)cc1 610167642 YGOWUKHTAYQUED-LLVKDONJSA-N 436.921 5.018 30 20 IKED COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 610200627 PVOIHJQDCOYLBG-AHWVRZQESA-N 428.557 5.319 30 20 IKED CN1CCC[C@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[C@H]1c1cccs1 610321266 OCVJGSDFMQEWBE-JPYJTQIMSA-N 447.564 5.012 30 20 IKED N#Cc1c(F)cccc1-n1ccc(NC(=O)c2sc(-c3ccccc3)nc2C(F)F)n1 611573485 NXRZHESAGDZLHZ-UHFFFAOYSA-N 439.422 5.196 30 20 IKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618301179 LDCPMBPCKXSDIT-KDURUIRLSA-N 425.372 5.289 30 20 IKED CCOCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@@](C)(C#N)C1 619840454 DHNMUAATFHHBHP-QFIPXVFZSA-N 444.004 5.370 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OCc4cccnc4)cc3)n2)cc1 642281110 JLTRIRWWFAFNCY-JOCHJYFZSA-N 425.513 5.583 30 20 IKED Cc1nc(CCC(=O)OCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)oc1-c1ccccc1 730335154 IJEAALFKMKIARK-KQWNVCNZSA-N 444.531 5.006 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 731114703 VYOIODOFDHPKHH-MSOLQXFVSA-N 446.617 5.049 30 20 IKED Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)/C=C/c2ccccc2C#N)C3)cc1 731478800 OBZFSZAFLKTCBC-SDNWHVSQSA-N 436.515 5.109 30 20 IKED Cn1c(CNC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2cc(F)ccc21 732109050 IHAPYCAQILIDDQ-GORDUTHDSA-N 445.338 5.080 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)OCC(=O)Nc3ccc(-c4ccccc4)cc3)cc2)nc1 732402439 QYJWAWIMTWUDCD-UHFFFAOYSA-N 449.466 5.208 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2nc(-c3ccccc3)cs2)cs1 732572099 YKISAYNAUMVGBZ-RAXLEYEMSA-N 445.569 6.156 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)ccc1OC 733646515 SZOBAZFWDKPLPR-BBRMVZONSA-N 436.339 5.243 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(CC)Cc2ccc(C(F)(F)F)cc2)ccc1OC 733655827 DBFHRGFILMVJKB-LJQANCHMSA-N 449.473 5.127 30 20 IKED C=CC[C@H](NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1ccncc1 734360913 NVZZKCYGNJZVBA-FQEVSTJZSA-N 431.586 6.031 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)C(C)(C)Sc2ccc(Br)cc2)cc1 736067557 BFMJBKBXQWXGHK-UHFFFAOYSA-N 448.386 5.266 30 20 IKED CC(C)(C)c1ncc(/C=C(\C(=O)Nc2ccc3c(c2)OCCO3)C(=O)c2ccccc2)s1 736433209 NZWIVNRWLCZGDT-RGEXLXHISA-N 448.544 5.117 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)cc2)C[C@@H](C)O1 737821486 SRXONCQAKDFGAE-KDURUIRLSA-N 426.520 5.168 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N[C@@H](C)c2sc(-c3ccccc3)nc2C)cc1 743472846 QVPZZNZQQPYWJX-AZUAARDMSA-N 432.593 5.413 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)NCc2ccc(OCC#N)cc2)cc1 743583460 SYTJJJAFYGQNOD-LJQANCHMSA-N 429.520 5.167 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)c3ccccc3C(F)(F)F)n2)cc1 744063143 YDOSDKCPXIRWTF-SUMWQHHRSA-N 430.451 5.817 30 20 IKED CCCCOc1ccc(C=NO[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1OC 744444297 UYIJNKDFCNBAIZ-HNNXBMFYSA-N 429.904 5.689 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2ncc(-c3ccccc3F)o2)cc1C 744870894 HTVRPWMYJCSHRA-UHFFFAOYSA-N 444.466 5.232 30 20 IKED C=CC[C@@H](NC(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1)c1ccncc1 745826369 UVNBCGSAODVUQO-OAQYLSRUSA-N 434.367 5.506 30 20 IKED O=C(Nc1cccnc1)/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)c1ccccc1 746006880 WMEFUYIDRGGOQT-RCCKNPSSSA-N 439.427 5.155 30 20 IKED CCc1cccc(CC)c1NC(=S)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 751015829 YBZDCBYCCMWHPJ-UHFFFAOYSA-N 431.561 6.293 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1C#N 752299410 MZHKZBQARMQWER-UHFFFAOYSA-N 446.429 5.342 30 20 IKED CC[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccc(OC)cc1 752478092 XJZKDOUUEGJVOF-LIRRHRJNSA-N 432.492 5.241 30 20 IKED C=CCOc1ccc(/C=C/C(=O)O[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cc1OC 758911967 PQDXFDHBCAEVID-ZPHJMFTNSA-N 434.492 5.244 30 20 IKED CC1(C)C(=O)Nc2ccc(C(=O)/C=C/c3cn(-c4ccccc4)nc3-c3ccncc3)cc21 759121257 OXXYELWRBUHXJH-PKNBQFBNSA-N 434.499 5.060 30 20 IKED C#CCN(C(=O)Nc1ccccc1CSC)[C@H]1CCOc2ccc(Br)cc21 760074065 QAKNXYQQYAPZSG-IBGZPJMESA-N 445.382 5.303 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCc3cc(-c4ccccc4)ccc32)ccc1OC 767004848 VRNBINUOROBZRA-HSZRJFAPSA-N 441.531 5.315 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@H](C)Oc1cccc2ccccc12 769351335 CUJKRJPBXKWBEU-QZTJIDSGSA-N 448.544 5.041 30 20 IKED N#C[C@H](C(=O)CC1(CSc2ccccc2)CC1)C(=O)Nc1ccc(Cl)cc1Cl 770845820 DRYIYJVISYVCJA-MRXNPFEDSA-N 433.360 5.603 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c1 772216458 AZEFVSAFMDIXLU-UHFFFAOYSA-N 434.521 5.210 30 20 IKED Cc1cc(C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)ccc1NC(=O)OC(C)(C)C 772688542 QFWZRMSIRJYZGQ-SFHVURJKSA-N 449.429 5.235 30 20 IKED Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)Cc1ccccc1CC#N 776959066 YHEMJEBWNMDWIY-UHFFFAOYSA-N 440.522 5.979 30 20 IKED N#Cc1cc(NC(=O)c2nc(NCc3ccco3)ncc2Cl)ccc1Oc1ccccc1 777962910 YWECEXXQUXBCLW-UHFFFAOYSA-N 445.866 5.251 30 20 IKED Cc1cccc(C)c1OCc1nn(CN2CCC(C)(C#N)CC2)c(=S)n1-c1ccccc1 779878334 HAPTYFDQRLICGW-UHFFFAOYSA-N 447.608 5.182 30 20 IKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12 780306743 ZFWBJKYDRQXFQS-JOCHJYFZSA-N 449.510 5.488 30 20 IKED CC(C)(C)N1CC[C@@H](NC(=O)c2ccccc2SCC#N)[C@H]1c1ccc(Cl)c(F)c1 782753915 PGCYVFZRIGIZBK-TZIWHRDSSA-N 445.991 5.439 30 20 IKED N#Cc1ccc(CN[C@@H]2CCCc3nc(-c4ccc(Br)cc4)sc32)nc1 783294126 MJKBUMMOUWPGOF-QGZVFWFLSA-N 425.355 5.006 30 20 IKED COC(=O)c1cc(Cl)ccc1C(=O)/C=C\c1csc(COc2ccc(OC)cc2)n1 787180020 SWDHDXZVZWKIMD-WMZJFQQLSA-N 443.908 5.067 30 20 IKED COc1ccc2nc(/C=C3\SC(=S)N(c4ccc(C#N)c(Cl)c4)C3=O)sc2c1 788677072 DMEPSSNMSJAUIL-PXNMLYILSA-N 443.962 5.236 30 20 IKED CCOc1ccc(-c2nc(CC(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)cs2)cc1 797572149 ZKQXUBHLSRIHOW-KRWDZBQOSA-N 425.579 5.382 30 20 IKED CC(C)(C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1csc(-c2cccs2)n1 800392109 QUFYKMBGWZDWKL-LBPRGKRZSA-N 427.551 5.774 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 803129367 DLDUBKXEAPLWRD-QFIPXVFZSA-N 449.526 5.270 30 20 IKED O=C1/C(=C\c2cnc(-c3ccc(Br)cc3)s2)C[C@@H](C(=O)O)c2ccccc21 806563271 UMMUBMOMKYAGIW-YVJSUPCUSA-N 440.318 5.411 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)c1cnc2c(F)ccc(F)c2c1)c1ccc(Cl)cc1Cl 816039017 LVTZETVJEVLCRC-ZUZCIYMTSA-N 448.256 5.020 30 20 IKED N#C[C@H](C(=O)CC[C@H]1Cc2ccccc2NC1=O)c1nc2cc(C(F)(F)F)ccc2s1 915104292 OOQOOJPHVQHUES-DZGCQCFKSA-N 443.450 5.083 30 20 IKED CCOc1cc(N=Cc2cc(Br)cc(Br)c2O)ccc1OC 915980973 IMMMVLZAQFUPIM-UHFFFAOYSA-N 429.108 5.075 30 20 IKED N#C[C@H](C(=O)CSc1ccc2ccccc2c1)c1nc(O)c2c3c(sc2n1)CCCC3 916848000 XWTPRSVMZBWYKD-GOSISDBHSA-N 445.569 5.397 30 20 IKED CC(C)CCSc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] 916885142 ODFZUXQXPOZDOI-QGZVFWFLSA-N 445.928 5.348 30 20 IKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1nc2cc(Cl)ccc2s1 917045912 CMEMXVRZMDZPHI-OAHLLOKOSA-N 442.327 6.067 30 20 IKED CC(C)[C@@H](OC(=O)c1cc(F)c(F)c(F)c1F)C(=O)Nc1ccccc1C(F)(F)F 919221856 XFGFGIJSXFLNAX-MRXNPFEDSA-N 437.311 5.082 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ccc([N+](=O)[O-])cc2)cs1 920355953 GXKZCHCOIYIQTI-UHFFFAOYSA-N 449.414 5.201 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@@H]4C4CC4)cc3)CCC2)c(Cl)c1 1786053830 BNDBEHFDMXALPY-RTWAWAEBSA-N 433.939 5.005 30 20 IKED Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)n1 1787326019 VZVQGCNNSGCUIK-SFHVURJKSA-N 438.531 5.079 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4sc(C)nc4c3)cc2)CCC1 1789048055 IQBYVNOPOCSARW-INIZCTEOSA-N 433.577 5.565 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cccn4cn3)CCC2)cc1 1789626156 AZSQJKKTBZVXOA-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc4[nH]ccc4s3)CCC2)cc1 1791298812 WDPRSXGAKQWGQZ-UHFFFAOYSA-N 429.492 5.189 30 20 IKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccc(C)cc2)CCCCC1 1802627822 LUXUATDDEVSDRW-KOUNCHBCSA-N 444.566 5.047 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4sccc4s2)C3)c1 1803680554 GPFWYIWTDVHOPF-DQEVTTJGSA-N 449.601 5.155 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3occc3c2)n[nH]1 1818705652 BBUFANZREWMQAM-TZIWHRDSSA-N 432.524 5.230 30 20 IKED CC(C)C1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)CCC1 1823066565 FWMGWKGHIYFHNX-AVRDEDQJSA-N 447.583 5.169 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3cnccc23)CC1 1828653426 YNWLQHWVLHYNHJ-VWLOTQADSA-N 447.623 5.461 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(F)c2)CC1 1830485138 PNELRAUGUDGVSI-REWPJTCUSA-N 446.994 5.481 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(SC)cc2)nnc1-c1ccc(Cl)cc1 11450103 DXBYSNKYSZOTFY-UHFFFAOYSA-N 430.986 5.237 30 20 IKED Cc1c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)sc2cccc(F)c12 20001752 RPQMNAZEOYYOQZ-UHFFFAOYSA-N 440.550 5.617 30 20 IKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(C)cc2)[n+]2ccccc2CC)cc1 22727378 QCUIPMQNBCWQRV-UHFFFAOYSA-O 447.580 5.073 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(Nc2ccccc2F)s1 23210433 ACWAQLSBXGEYIS-CYBMUJFWSA-N 434.587 5.178 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C(=O)Nc1ccccc1Cl)C(C)C 32785245 XRGKVFPVHPNGHC-NRFANRHFSA-N 441.000 5.464 30 20 IKED Cc1ccc(C)c(Sc2ccc(NC(=O)CSc3nnc(C)c(C)c3C#N)cc2)c1 218940810 ADOXHAVLQAUYOC-UHFFFAOYSA-N 434.590 5.464 30 20 IKED Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)c1sc2ccc(C#N)cc2c1C 429860306 OYFBINUXGNQXLZ-IYBDPMFKSA-N 445.588 5.760 30 20 IKED N#C[C@H](C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)c1ccc(C(F)(F)F)cn1 430517866 GYCMWXVZPVTORR-LBPRGKRZSA-N 425.197 5.083 30 20 IKED CCn1c(SCCC(C#N)(c2ccccc2)c2ccccc2)nnc1-c1ccncc1 434643204 PIWFYXFOJIHZSA-UHFFFAOYSA-N 425.561 5.352 30 20 IKED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](c1cccc(SC)c1)c1ccc(F)c(F)c1 438013518 OZUVEMFFOVAQRW-WTNAPCKOSA-N 432.536 5.057 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)Nc2ccc(O[C@H]3CCOC3)cc2)cc1F 438659852 FQPGLZPSRLTGKJ-FQEVSTJZSA-N 433.439 5.301 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCO[C@@H]1c1ccnn1C(C)C 439111273 VOHDLVWXHHNVOR-URXFXBBRSA-N 430.508 5.153 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)c1c(-c2ccc(Cl)c(Cl)c2)noc1C 439135412 COCLYTBVSKEVNR-UHFFFAOYSA-N 446.290 5.106 30 20 IKED Cc1sc(Br)c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1C 440719234 PGWOPDVZXIJPKF-UHFFFAOYSA-N 441.350 5.830 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@H]3c3nc4ccc(Cl)cc4[nH]3)o2)cc1 440766729 ZCNQMSRSIIIYLO-NRFANRHFSA-N 446.894 5.237 30 20 IKED COc1ccc(-c2ncc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)s2)cc1 442668914 FURUVKZQJOVHJO-CQSZACIVSA-N 425.922 5.572 30 20 IKED CC(C)(C)CNC(=O)c1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 442670773 JZCQQNUJACWWQX-MRXNPFEDSA-N 425.941 5.216 30 20 IKED C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1 444030648 FWFZFMHQPIANAZ-LJQANCHMSA-N 428.536 5.212 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(CO)(Cc3ccccc3)CC2)cc1 445240015 MQXPMMJBAHABMN-UHFFFAOYSA-N 441.531 5.200 30 20 IKED Cn1cc([C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C(F)(F)F)cn1 446134229 CXBXSIAEVRLWRW-HKUYNNGSSA-N 447.848 5.154 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 447713370 HMGGECUNUQHNQT-UHFFFAOYSA-N 444.531 5.584 30 20 IKED Cc1nc(C(F)(F)F)sc1C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 462594678 RRBQVJXFXFGKNM-JTQLQIEISA-N 434.308 5.105 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 465761324 SQPIBKBBGSKZIC-BWAGFHJFSA-N 430.577 5.661 30 20 IKED CC[C@H](Cc1ccccc1Br)N(C)C(=O)c1cc(-c2cccc(C#N)c2)no1 468914082 ILUHDXJQBROQGH-GOSISDBHSA-N 438.325 5.069 30 20 IKED CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470536452 DZAIXZYOXKNTCS-UKILVPOCSA-N 444.579 5.460 30 20 IKED COCCN(Cc1ccc(C)o1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 470797067 NZFVVQVENAXEHH-QFIPXVFZSA-N 437.927 5.577 30 20 IKED N#Cc1cccc(-c2nnc(CNc3ccc(C(=O)N4CCC[C@H]4c4ccccc4)cc3)o2)c1 471671137 LBVORDXJEZSICL-DEOSSOPVSA-N 449.514 5.198 30 20 IKED CCc1nc2c(s1)[C@@H](N(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N)CCC2 478040158 KISOYGUVZKQGTE-QAPCUYQASA-N 428.627 5.048 30 20 IKED C=CCn1c(S[C@@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)nnc1-c1ccoc1C 478513105 HWPIVPOAWDQCIX-MRXNPFEDSA-N 438.336 5.346 30 20 IKED Cc1c(C(=O)N(CC(C)C)c2ccc(C#N)cc2)cnn1-c1ccc(Br)cc1 480101225 SCSNZGFTDMOMIJ-UHFFFAOYSA-N 437.341 5.118 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(Cl)c(OC(F)F)c3)CC2)c(F)c1 480697969 AHZKRNQKOKEVNR-UHFFFAOYSA-N 439.821 5.027 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C(C)C 482169390 MOOGOXGFQKOLRC-UHFFFAOYSA-N 442.947 5.345 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(F)c(Br)cc1Cl 483366766 SDBCDEVKTZPKRG-UHFFFAOYSA-N 443.748 5.629 30 20 IKED Cc1c([C@@H](C)NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)oc2ccccc12 484367873 HXDCHQFAPTWJTP-QGZVFWFLSA-N 439.471 5.221 30 20 IKED N#CCCn1cc(CNCc2ccnc(Oc3ccccc3F)c2)c(-c2ccccc2)n1 486792217 CCCBRGJOUWKCDT-UHFFFAOYSA-N 427.483 5.080 30 20 IKED C=CCn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nnc1-c1ccc(C)cc1 489663570 WJDNUGXPLNCPOG-UHFFFAOYSA-N 441.560 5.283 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2ccc(C#N)cc2Cl)cc1 490519803 IFAFFUJVRLLVFX-MRXNPFEDSA-N 447.922 5.045 30 20 IKED C=CCn1c(SCc2cn3ccsc3n2)nc2scc(-c3cccs3)c2c1=O 491343058 MPLHUQCJBOTZDV-UHFFFAOYSA-N 442.616 5.374 30 20 IKED CC(C)(CCC#N)CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 496350297 UMOZBKPSLNUHGF-UHFFFAOYSA-N 435.475 5.076 30 20 IKED N#CCC[C@@H](NC(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1)c1ccccc1 500101101 VMKVNOWONSZCJS-LJQANCHMSA-N 436.968 5.576 30 20 IKED COCc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)oc2ccccc12 501473524 OOIIKPMZBXPAPI-UHFFFAOYSA-N 426.472 5.477 30 20 IKED N#C[C@@H](NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1)c1ccc(Cl)cc1 505830725 DQCKLLFPEOPAND-QGZVFWFLSA-N 436.682 5.208 30 20 IKED Cc1ccc(CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C(C)C)s1 509941487 GQSSCBILUUKAHE-UHFFFAOYSA-N 437.540 6.089 30 20 IKED CC(=O)Nc1cccc(NC(=O)[C@H](Sc2nc(-c3ccccc3)ccc2C#N)C(C)C)c1 510204432 WQWSIVHKWSFMBJ-HSZRJFAPSA-N 444.560 5.334 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCn1c(C)nc2ccccc21 510539936 SZWICGGZOSOTRT-UHFFFAOYSA-N 439.519 5.529 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)[C@H](C)CC)nnc1-c1ccc(Cl)cc1Cl 512135296 HXYMDLWUAIKBSO-OLZOCXBDSA-N 427.401 5.081 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)n2)cc1 512502478 ASWAHWNGIHULKB-CQSZACIVSA-N 448.470 5.279 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)c2cccc(Cl)c2)nnc1-c1ccc(Cl)cc1 514225104 LHSRTWAMEVLADM-CQSZACIVSA-N 447.391 5.407 30 20 IKED C=CCN(C(=O)c1ccc(SC(C)C)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 515437974 KTXCPNIHZSNJGT-UHFFFAOYSA-N 439.562 6.052 30 20 IKED Cc1cccc(C(=O)[C@H](C#N)c2nc3ccccc3s2)c1NC(=O)c1ccccc1F 516465700 ZSQNNJIAGQZKIV-KRWDZBQOSA-N 429.476 5.486 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1n[nH]c(/C=C\c2ccccc2)n1 517449146 PINHPISGQBTZEE-YUQCYMQKSA-N 435.578 5.100 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 517471979 OYXAJCORTZJEFD-OAHLLOKOSA-N 433.499 6.154 30 20 IKED CCOc1ccc([C@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1OCC 517473661 ICQDHOCJWOBCAG-IRXDYDNUSA-N 427.570 5.618 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3cccc(F)c3)C[C@@H]3CCCO3)cc2)c1 517527952 NGAWKDSKUCNBGI-VWLOTQADSA-N 445.494 5.703 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ncc(Cc4cccc(F)c4)s3)cc2)nc1 517653989 QTIZRGKEMXUGBR-UHFFFAOYSA-N 430.464 5.184 30 20 IKED CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1 518014027 BRHVTIAXKOGSHQ-KRWDZBQOSA-N 443.507 5.052 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 518682946 BBZAMBFBQYBHFJ-MRXNPFEDSA-N 436.512 5.586 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2nc3cc(Cl)ccc3s2)cc1 521265895 UMHYSSDTXVYQFG-UHFFFAOYSA-N 440.956 5.086 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1ncc(C#N)cc1C 521278587 OIJSHCUPEFVIFK-UHFFFAOYSA-N 438.409 5.094 30 20 IKED CN(C)[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccc(Cl)c1 522068244 GWONYCYYWLTXTB-QHCPKHFHSA-N 437.902 5.171 30 20 IKED COc1cc(CSCC(=O)N(C(C)C)C(C)C)ccc1OCc1cccc(C#N)c1 522649946 JYOJXGPZXIHBPI-UHFFFAOYSA-N 426.582 5.024 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@H](C)C(C)C)nnc1-c1ccc(Cl)cc1Cl 524139665 SBSBRWWLEVSFPY-CYBMUJFWSA-N 427.401 5.033 30 20 IKED COc1ccc(SCCC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC 524821125 ZMUYRGPNMZWTEY-UHFFFAOYSA-N 434.517 5.489 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)N2CCC(OCC3CCCCC3)CC2)CC1 525809923 JSDGYWCCBZUNKB-UHFFFAOYSA-N 439.600 5.019 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1CCN(c2ccncc2C)CC1 531441855 BBARFLALQRRMMD-UHFFFAOYSA-N 440.547 5.004 30 20 IKED COc1cc(CN[C@@H](c2ccccc2)C(F)(F)F)ccc1OCc1cccc(C#N)c1 533021373 OTQQJKKPWZZDJT-QHCPKHFHSA-N 426.438 5.539 30 20 IKED N#Cc1ccc(NC(=O)Nc2cccc3c2CN(c2nccs2)C3)cc1C(F)(F)F 536263698 LNHQFVCEDGWOEX-UHFFFAOYSA-N 429.427 5.198 30 20 IKED COc1cc(CN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C2CC2)ccc1O 536374316 JPEXOVYODWHCBB-UHFFFAOYSA-N 444.531 5.025 30 20 IKED COc1cc(CNCc2ccc(-c3ccccc3C#N)cc2)ccc1OCC(F)(F)F 536891355 XTYHLLBSKBYGOH-UHFFFAOYSA-N 426.438 5.465 30 20 IKED N#Cc1ccc(CN2CCC(Nc3ccc(NC(=O)N4CCCCCC4)cc3)CC2)cc1 538549387 BIDFBXBEDNJCTN-UHFFFAOYSA-N 431.584 5.043 30 20 IKED C=C(C)COc1cc(CN(Cc2c(C)noc2C)Cc2c(C)noc2C)ccc1OC 539826079 IFUWCLIBMCFLSG-UHFFFAOYSA-N 425.529 5.062 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1 540104542 WZZQJSOAMICBFF-UHFFFAOYSA-N 441.531 5.139 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)[C@H]3CCn4c(cnc4C4CCCCC4)C3)n2)c1 542447307 QCMLDBYQUCSDEP-IBGZPJMESA-N 431.565 5.127 30 20 IKED N#CCC[C@@H](NC(=O)N1CCC(Oc2cccc(Br)c2)CC1)c1ccccc1 542770291 QQEAVSUGVIQAGM-OAQYLSRUSA-N 442.357 5.047 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2nc(C3CC3)no2)cc1C 543348369 AYJFCVJSKMAITE-UHFFFAOYSA-N 433.468 5.051 30 20 IKED N#Cc1cccc(COc2ccc(Nc3nn4cc(-c5cccnc5)nc4s3)cc2F)c1 543899412 KGZSBIYNJOJWAX-UHFFFAOYSA-N 442.479 5.186 30 20 IKED COc1ccccc1-c1nnc(SCc2ccc(CC#N)cc2)n1CCc1ccccc1 544051004 QLEBQNASNOQKFT-UHFFFAOYSA-N 440.572 5.555 30 20 IKED CC(C)Oc1ccc(-c2noc(C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n2)cc1 544961637 PHPXLJISASIYOQ-UHFFFAOYSA-N 445.479 5.027 30 20 IKED N#Cc1ccccc1COc1cccc(CNCc2ccc(Oc3ccc(F)cc3)nc2)c1 553299275 RKOLUURHVSKYMB-UHFFFAOYSA-N 439.490 5.753 30 20 IKED CC1(C(=O)Nc2ccc(Oc3cccnc3)nc2)CCN(c2ccc(Cl)cc2C#N)CC1 557599975 OUKYUHNNOAHZNW-UHFFFAOYSA-N 447.926 5.039 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3cccc4ccccc34)o2)c1 570093899 YERMTACZBUAPDT-UHFFFAOYSA-N 442.544 5.546 30 20 IKED CCO[C@H](c1noc(C[C@H](CC#N)c2ccccc2)n1)c1ccc(F)cc1C(F)(F)F 571005508 MNLTXLTYILRNIH-YWZLYKJASA-N 433.405 5.593 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)NCC2(c3ccccc3Cl)CCCCC2)CC1 577161385 KTKTUSLBQJJCGH-UHFFFAOYSA-N 436.987 5.204 30 20 IKED CN(Cc1csc(Br)c1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 583470442 MWWSVMDHBKCNAE-UHFFFAOYSA-N 443.326 5.233 30 20 IKED O=C(CNc1ccc(C(F)(F)C(F)(F)F)cc1)Nc1ccc(Cl)cc1C(F)(F)F 591808321 XLABDQFDKGNPLF-UHFFFAOYSA-N 446.725 6.064 30 20 IKED COc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc(OC)c1OC 602484761 QLXPBIASNJFJQL-UHFFFAOYSA-N 434.517 5.129 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 603527586 SDSQJSKBNMOYMS-UHFFFAOYSA-N 439.559 5.001 30 20 IKED COc1cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)ccc1OCCC(C)C 603738817 SWEXKTFFECJEGS-UHFFFAOYSA-N 445.519 5.740 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)[C@H](Oc1ccccc1Br)c1ccccc1 603755357 PFNFVNZVXSYNHR-JOCHJYFZSA-N 435.321 5.099 30 20 IKED C[C@H]1Sc2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cc2NC1=O 603758857 LKISTPJWIZFOBZ-KUHUBIRLSA-N 447.947 5.680 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1nc2ccccc2o1 603940158 NCKLBJHUBAPRGH-MRXNPFEDSA-N 433.807 5.672 30 20 IKED C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 606176983 TZICMWRSEWPKMU-JTQLQIEISA-N 439.327 5.726 30 20 IKED O=C(Nc1ccc(Br)c(F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 608328715 JZRBENSJNUXDML-HTQZYQBOSA-N 437.153 5.183 30 20 IKED Cc1nc(NC(=O)c2occc2COc2cccc(C#N)c2)sc1Cc1ccccc1 608805063 MRSIZCMSLXSFRC-UHFFFAOYSA-N 429.501 5.338 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCc2csc(C(C)C)n2)cc1 608841387 OGOUHEOANIMNGT-UHFFFAOYSA-N 436.537 5.303 30 20 IKED N#CCn1c(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc2ccccc21 609166577 HOUZPMVRMPPZEH-UHFFFAOYSA-N 428.879 5.323 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(NC(=O)C2CCCC2)c1 609434696 JOQJBWRXAAGBHN-QGZVFWFLSA-N 436.581 5.531 30 20 IKED Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 609434820 TVERFJQHDAIIJC-NQIIRXRSSA-N 439.581 5.594 30 20 IKED Cc1cc(Oc2ccccc2)ccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609451991 DRLOMLYHBJICMM-UHFFFAOYSA-N 427.504 5.734 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc(N4CCCCC4=O)c3)cc2)cc1 609499696 NZCSIFFGVJRZBV-UHFFFAOYSA-N 425.488 5.314 30 20 IKED Cc1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)s1 609601171 UKCIUEODYFLSGF-UHFFFAOYSA-N 444.516 5.943 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccccc2OC2CCC2)cc1 609829235 WCLXYVXVEHHWOT-UHFFFAOYSA-N 443.522 5.541 30 20 IKED Cc1ccc([C@@H](C)CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 609996053 LKDOYOVXMIOTMT-IBGZPJMESA-N 443.572 5.131 30 20 IKED CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 610093248 DFRFHADOHBUUKM-SFHVURJKSA-N 438.582 5.102 30 20 IKED COc1ccc2c(c1)OCC[C@H]2NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 610234204 NHXXORSRCGTOFB-OAQYLSRUSA-N 434.879 5.266 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 610434193 PERJRUZKHKAZCT-RZUBCFFCSA-N 447.604 5.378 30 20 IKED CCCCn1c(SCc2ccc(C#N)cc2Br)nnc1[C@@H](CC)N(C)C 611491577 SIBMOGSXIJYHJW-QGZVFWFLSA-N 436.423 5.017 30 20 IKED N#C[C@@H](C(=O)c1ccnc(Oc2ccccc2)c1)c1nc2cc(C(F)(F)F)ccc2s1 623759109 DZWDBEORSRUVTF-INIZCTEOSA-N 439.418 5.992 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)nnc1-c1ccccc1 662024485 KJXSLTKVSRXOQB-CVEARBPZSA-N 426.973 5.143 30 20 IKED O=C(Nc1ccc(OCC(F)F)cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 673971662 BPKFCTVXHILHAN-NXEZZACHSA-N 434.327 5.362 30 20 IKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674445368 BQCLNIRBENJQME-UWVGGRQHSA-N 447.219 5.537 30 20 IKED O=C(NCc1ccc(-c2ccco2)cc1F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 684121268 JCGCBXCIFNBIGF-OKILXGFUSA-N 438.343 5.358 30 20 IKED COCCN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@@H](C)c1cccc(C(F)(F)F)c1 726484038 AXYPKTALPRDXOX-ZDUSSCGKSA-N 441.906 5.637 30 20 IKED N#Cc1ccc(NC(=S)NCc2cc(Br)ccc2OC(F)F)cc1Cl 726491314 YCFILUOQRPISEM-UHFFFAOYSA-N 446.704 5.062 30 20 IKED COc1ccccc1/C(C)=C\C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 727627002 JRGHSQLABPTZQS-HOFZKYPUSA-N 443.355 6.405 30 20 IKED C#Cc1cccc(N(C(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccn2)C(C)C)c1 728246031 LCWCCDZITBJILZ-UHFFFAOYSA-N 435.531 5.038 30 20 IKED CC(C)(C)CN(CCC#N)Cn1nc(Nc2cccc(Br)c2)sc1=S 729468385 SERJGGFPKFMMGZ-UHFFFAOYSA-N 440.436 5.399 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 730686074 CVTXIVIOMAOANM-MCIONIFRSA-N 442.129 5.751 30 20 IKED N#C[C@H](C(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1nc2cc(F)ccc2s1 730695353 HSWFJCBCAPUQTR-OPAMFIHVSA-N 438.430 5.710 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccnc(Oc2ccccc2)c1 731078896 SPIAUXJBOKQFMS-KRWDZBQOSA-N 447.516 5.064 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1OC 732596150 LJWZGELECYKUMZ-SFHVURJKSA-N 434.536 5.014 30 20 IKED Cc1cc(COc2ccc(/C=C/C(=O)c3c(Cl)nc4sccn34)cc2)oc1C(=O)O 741844944 TUNNQYHGHHIKCN-QPJJXVBHSA-N 442.880 5.124 30 20 IKED Cc1ccc(CN(C(=O)CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C2CC2)o1 742261416 IANXNCPSGCPDLZ-UHFFFAOYSA-N 449.938 5.295 30 20 IKED O=C(O)COc1ccc(/C=C/C(=O)c2cc(Cl)sc2Cl)cc1Br 742431911 OXYGVRDSHNOUCK-HNQUOIGGSA-N 436.110 5.177 30 20 IKED C/C(=C\C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1cccc(C(F)(F)F)c1 745488266 UKAMNHDUIKROFI-SRXBQZRASA-N 448.466 5.101 30 20 IKED Cc1ccc2c(CCC(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c[nH]c2c1 745947551 DIDVJHUXVPBYGE-MRXNPFEDSA-N 427.451 5.914 30 20 IKED CC(C)n1cc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cn1 746686413 AQPBGSKXWRHOMG-RAXLEYEMSA-N 427.464 5.121 30 20 IKED N#CCOc1ccccc1C(=O)NC1(Cc2ccc(Br)cc2)CCCCC1 751256445 QGOFPRKQDDNTDM-UHFFFAOYSA-N 427.342 5.027 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)C[C@H](O)c1cccs1 752224895 QJUCLTFGDNKSOP-VGSWGCGISA-N 435.549 5.141 30 20 IKED O=C1/C(=C\c2cnc(-c3ccncc3)s2)CCC/C1=C\c1cnc(-c2ccncc2)s1 753136741 YMAMAKLDICAXPE-MGYAYREDSA-N 442.569 5.944 30 20 IKED Cn1ccnc1[C@H](CCc1ccccc1)OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 754742458 YZFPOYKBBRILFM-QHCPKHFHSA-N 438.487 5.010 30 20 IKED CN(C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 758518312 PIWLHUHYAJWMCN-GMAHTHKFSA-N 449.551 5.488 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2 760797299 HVZSXLOPSDYHRK-JQIJEIRASA-N 439.446 5.608 30 20 IKED N#Cc1ccc([C@H](O)CS(=O)(=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 763241737 QCYCGBFMFBYWIX-OAQYLSRUSA-N 446.355 5.103 30 20 IKED O=C(OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1cc(O)nc2ccc(F)cc12 764904605 VHTVXKWZXUOEKN-UHFFFAOYSA-N 437.242 5.012 30 20 IKED N#C[C@H](C(=O)CCCOc1ccc2c(c1)OCO2)c1nc(-c2ccc(Cl)cc2)cs1 766258768 JJVHLKSGVNDOFR-QGZVFWFLSA-N 440.908 5.228 30 20 IKED Cc1ccc(Cn2nc(C)c(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c2Cl)cc1 767984224 RXNANEVXNABWEE-UHFFFAOYSA-N 430.939 5.003 30 20 IKED Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 768137249 LLUQTZWGHIZQGS-HSZRJFAPSA-N 441.462 5.363 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)C1CC1 777297730 UNBREAVQSBSAQW-SJORKVTESA-N 445.972 5.333 30 20 IKED CC(=NNc1ccc([N+](=O)[O-])cc1Br)c1sc(-c2cccnc2)nc1C 777452411 WCYJVNBEQURYDC-UHFFFAOYSA-N 432.303 5.020 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccccc2)nc2ccc(C)cc12 780306478 WSMOKDIJVQAPDL-QFIPXVFZSA-N 449.510 5.570 30 20 IKED C[C@@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1nnc(-c2ccccc2F)s1 783634233 SLOFZCPFFGHMBM-CQSZACIVSA-N 446.463 5.321 30 20 IKED C#Cc1cccc(N(C)C(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)c1 783957053 LCCNVDNYWDLHTO-UHFFFAOYSA-N 447.560 5.339 30 20 IKED COc1cc(C(=O)/C=C/c2cn(CCC#N)nc2-c2ccccc2)ccc1SC(F)F 788353657 AZNQQYCWQJGQNP-CSKARUKUSA-N 439.487 5.683 30 20 IKED C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 790921544 OKABCXDOKYCABM-QFIPXVFZSA-N 448.460 5.157 30 20 IKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2Br)o1)c1nccc2ccccc12 792102587 GBZSYYUBNOYBEO-GOSISDBHSA-N 446.304 5.461 30 20 IKED Cc1ccc(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)cc1C#N 799338429 NWNGQJJNAAFDCN-UHFFFAOYSA-N 425.275 5.073 30 20 IKED Cc1sc(Br)c(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1C 799602535 UEUYUHMPLJWFPV-GFCCVEGCSA-N 446.153 5.395 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cc(Cl)ccc2C(F)(F)F)ccc1OC 806667646 HLYPWNJHPAOFJP-CQSZACIVSA-N 441.837 5.370 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Br)c(F)c3)n2)cc1 810531108 FZZLKLSIPLSPHK-OAHLLOKOSA-N 429.314 5.439 30 20 IKED C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 815952034 XHTZUZLUMOLUSX-OAHLLOKOSA-N 425.410 5.081 30 20 IKED Cc1noc(C)c1COc1ccc(CC(=O)N2CCCSC2=Nc2ccccc2)cc1 871596065 BDJWUQANTCUWCV-UHFFFAOYSA-N 435.549 5.066 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCCc2nc3ccccc3s2)cc1 915086377 JKYPOYYUGQHFJQ-QFIPXVFZSA-N 425.557 6.303 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 915200053 UFOZDNYMQZRXRU-SXOMAYOGSA-N 445.522 5.452 30 20 IKED Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1ccc(N2CCCCC2)cc1 916277224 ZPSCBVGDZVKPKN-UHFFFAOYSA-N 432.380 5.413 30 20 IKED COc1cc(C(C)=NNc2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)ccc1O 916317030 WNJVEHJKGBICML-UHFFFAOYSA-N 438.549 5.193 30 20 IKED C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916847324 OMKKKBDKQPQWIM-KBXCAEBGSA-N 449.576 5.217 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C 916910505 XQAWPPNEKJTRPW-XMMPIXPASA-N 443.547 5.189 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cc2cc(Br)ccc2o1 916919350 WXMFMYFQXQHDMG-QGZVFWFLSA-N 433.261 5.310 30 20 IKED Cc1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916997582 WZYRKHHEUPWDSI-GUYCJALGSA-N 431.344 6.069 30 20 IKED N#C[C@@H](C(=O)/C=C\c1cc(Br)ccc1F)c1nc2ccccc2n1C(F)F 917040651 NETWWYDILMRGSK-UJZCVKTISA-N 434.215 5.223 30 20 IKED C=CCN(Cc1ccc(OC)cc1)Cn1nc(-c2ccc(C)cc2)c2ccccc2c1=O 917485709 ULOZBOAEOKVPDA-UHFFFAOYSA-N 425.532 5.026 30 20 IKED N#C[C@H](C(=O)CSCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1 920107931 KFCCKMAZPLWGNQ-OAHLLOKOSA-N 427.740 5.228 30 20 IKED O=[N+]([O-])c1cc(C=NOCc2csc(-c3ccc(F)cc3)n2)ccc1N1CCCC1 920760091 RVBUMMNGPHUECL-UHFFFAOYSA-N 426.473 5.008 30 20 IKED COc1ccccc1-c1ccc(CN(C(=O)c2cc(C#N)c(SC)nc2O)C(C)C)cc1 1361100976 YGRFMKXDYSNAQC-UHFFFAOYSA-N 447.560 5.107 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1791300382 NHYDDPGFMHXVMB-UHFFFAOYSA-N 443.881 5.171 30 20 IKED Cc1ccc(CSCCC(=O)NC2(c3ccc(NC(=O)[C@@H](C)S)cc3)CCC2)cc1 1791580335 YWVYLXQZPLNOEM-GOSISDBHSA-N 442.650 5.071 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@@H]4C4CC4)CCC3)cc2)c1 1792123193 MTLKAWHYWDFMNR-VEYWIMSWSA-N 427.548 5.107 30 20 IKED C#CCCC(=O)N1CCC2(CCCN(C(=O)/C=C/c3ccc(CCCCC)cc3)C2)CC1 1805367722 OGJKEJJQTIJBRK-FOCLMDBBSA-N 434.624 5.077 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cc3cc(F)ccc3Cl)C2)CC1 1806550670 NEDADMINAGYITO-UHFFFAOYSA-N 449.010 5.245 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3ccnc(C(C)(C)C)c3)C2)CC1 1807444848 YWTSPZVGKRALJW-UHFFFAOYSA-N 439.644 5.216 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(F)ccc3[nH]2)n[nH]1 1818990873 RRMXTKDXSYTLOQ-QFIPXVFZSA-N 449.530 5.104 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2cccc(O)c2)cc1C 10836416 FDJFUVGOMRXPPR-UHFFFAOYSA-O 446.379 5.654 30 20 IKED O=[N+]([O-])c1ccc2sc(/C(O)=N/c3nnc(SCc4ccccc4)s3)cc2c1 21954212 ADULFCNMDHEABL-UHFFFAOYSA-N 428.520 5.590 30 20 IKED C[C@H](OC(=O)c1ccccc1Oc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 22742811 HXEWRKVRXCNZRA-HNNXBMFYSA-N 432.501 5.085 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2C)nnc1-c1ccc(Cl)cc1 23553264 XOEQXIHRPGDGHH-MRXNPFEDSA-N 426.973 5.062 30 20 IKED O=C(NCCc1ccccc1F)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 25928347 CYHRBXLAZPEGTI-UHFFFAOYSA-N 445.338 5.022 30 20 IKED CC(C)C(=O)Nc1ccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)cc1 33092448 LEEHTCWZGIHZKQ-UHFFFAOYSA-N 429.545 5.234 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 61194095 OQXLWWFZBIWASK-UHFFFAOYSA-N 432.332 5.568 30 20 IKED CC(C)CN(C)c1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 63451765 XYZCXPQQYMWMFJ-UHFFFAOYSA-N 437.594 5.047 30 20 IKED COc1ccc(CC[C@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 65414430 GWLSOMKAHNWVGH-FQEVSTJZSA-N 443.547 5.483 30 20 IKED Cc1nnc(SCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)c(C#N)c1C 218939753 ILESJVQGHADOBY-UHFFFAOYSA-N 440.981 5.501 30 20 IKED Cc1cc(C)cc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 410382111 LEASKORXQRKJKL-QGZVFWFLSA-N 447.922 5.437 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)c1-c1ccccc1 428912189 MNPRYYCSGVRBIB-UHFFFAOYSA-N 434.927 5.691 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)c1-c1ccccc1 428920110 HLOYOOJNUIGFSP-UHFFFAOYSA-N 443.894 5.557 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 437615519 PJGRVRBTGFIELB-AZUAARDMSA-N 439.441 5.195 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2ccccc2)Cc2cc[nH]n2)cc1F 438668978 QDSYTYYVAFEKII-UHFFFAOYSA-N 441.466 5.447 30 20 IKED CCCc1c(NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cnn1-c1cccc(C#N)c1 439340623 NBZKJLHGROLGMK-KRWDZBQOSA-N 444.564 5.735 30 20 IKED CCCc1c(NC(=O)c2cc(SC)c(Cl)cc2Cl)cnn1-c1cccc(C#N)c1 440096228 GJRBDWWPMDOLJV-UHFFFAOYSA-N 445.375 5.977 30 20 IKED Cc1ccc(NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OCCC(C)C 441171960 MSBUXCYCBYDKIT-GOSISDBHSA-N 439.581 5.391 30 20 IKED C[C@H]1[C@H](C)CCC[C@H]1N(Cc1ccc2c(c1)OCO2)Cc1nnc(-c2ccc(C#N)cc2)o1 441520977 XPECORYCUYHZIH-KGVIQGDOSA-N 444.535 5.164 30 20 IKED C[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1cccc(OCc2ccccn2)c1 444028130 FFVGVOOWMAUKOV-FQEVSTJZSA-N 438.531 5.410 30 20 IKED COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)N(C)Cc2ccc(C#N)cc2)c1 466041186 WHOZUMHFLFCIBU-SANMLTNESA-N 427.548 5.309 30 20 IKED C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CCC(Oc2ccc(C#N)cc2)CC1 466833917 HWQAMYDJHPOSFU-AWEZNQCLSA-N 443.334 5.519 30 20 IKED N#Cc1ccc(-c2nnc(CNc3cc(C(=O)Nc4ccccc4)ccc3Cl)o2)cc1 471678379 IQLQQTZQWOKURY-UHFFFAOYSA-N 429.867 5.126 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2ncc(C(C)(C)C)o2)n(Cc2ccc(F)cc2)c1C 474414688 TYOPCGMVULECCX-UHFFFAOYSA-N 440.544 5.180 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)Nc3ccccc3OCC(F)F)c2)c1 474719811 OBNYGHYJNAIPCV-UHFFFAOYSA-N 436.418 5.098 30 20 IKED CC[C@@H](C)Oc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 476178439 WFDGVMLLRRZPEF-QGZVFWFLSA-N 429.476 5.105 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CSc1nncn1-c1ccc(C(C)C)cc1 476800010 XOBGEYYSMURSLU-UHFFFAOYSA-N 434.609 5.973 30 20 IKED C=CCC[C@H](NC(=O)NCc1cccc(-c2nc(C(=O)OC)cs2)c1)c1ccccc1 479742016 HJABEBZSWZNOGW-FQEVSTJZSA-N 435.549 5.103 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCc2c(ncn2-c2ccccc2)C1 480825779 SBCXNBPIRGRVHG-UHFFFAOYSA-N 449.514 5.435 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccccc2)o1)c1nc(O)c2c3c(sc2n1)CCCC3 484540257 CYWYUQZFVCCBHI-HNNXBMFYSA-N 431.473 5.151 30 20 IKED CCc1cc(C)cc(CC)c1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 484871686 DQRKXSFKZFEBIF-UHFFFAOYSA-N 432.524 5.095 30 20 IKED Cc1ccc([C@@H](NC(=O)CSc2nc(C(F)(F)F)ccc2C#N)c2cccs2)cc1 488736345 QSOJIAFRAWJDBR-LJQANCHMSA-N 447.507 5.340 30 20 IKED C[C@H](Sc1nc(C(F)(F)F)ccc1C#N)C(=O)N(c1nccs1)C1CCCCC1 488736805 RBLJEUFLOLZTJB-LBPRGKRZSA-N 440.516 5.275 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)N(C)[C@@H](C)c3cc4ccccc4o3)o2)cc1 489794003 XWWNOMFQHZQVAS-INIZCTEOSA-N 449.532 5.359 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1 490651640 PUKNHZIEIGEVKJ-UHFFFAOYSA-N 426.451 5.113 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1 497943667 HUVWFSBXMIUDLL-QGZVFWFLSA-N 446.513 5.640 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 500737243 BKCAVWBGJSAVTM-DENIHFKCSA-N 439.515 5.207 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)cc1 502475472 VOZZNOHWFWRZSH-HSZRJFAPSA-N 446.478 5.086 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1csc(Cc2cccc(F)c2)n1 504092060 LZDUROKNCYBKDS-UHFFFAOYSA-N 444.491 5.493 30 20 IKED O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1cc(F)c(F)cc1Br 505427243 FMPSHAGNQDGXGK-ZDUSSCGKSA-N 430.117 5.039 30 20 IKED C[C@H](CCNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 507008614 SVXXEUPSTRDGGS-JPYJTQIMSA-N 445.950 5.244 30 20 IKED C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 508774126 OQTZDQGEFCXMRF-LJQANCHMSA-N 447.579 5.765 30 20 IKED Cc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 509505458 FFVOEXHHLLYCIV-UHFFFAOYSA-N 444.441 5.162 30 20 IKED C=CCN(C(=O)[C@H](C)CC1CCCCC1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 510219163 YWACAZFHGUZDIP-QGZVFWFLSA-N 446.638 5.339 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@H]3c3cccs3)s2)cc1 510226557 ZBBFBLPRHFNVHE-HNNXBMFYSA-N 427.580 5.133 30 20 IKED Cc1cccc(C(=O)N[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C(C)C)c1 511563216 OAUZUSBNXPMWMJ-VWLOTQADSA-N 441.531 5.361 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)c1ccc(Br)s1 511733385 FMYNIYJIPWECCZ-UHFFFAOYSA-N 449.351 5.284 30 20 IKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc12 513677161 RNSPOHVQTPSPFX-MRXNPFEDSA-N 432.505 5.634 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)cc1 513806803 PCSDUJFJKYZPEU-UHFFFAOYSA-N 434.323 5.293 30 20 IKED CCc1ccc([C@H](C#N)NC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)cc1 516511469 UNHPMAYNXGUKJW-QFIPXVFZSA-N 447.535 5.114 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc2nccnc2c1Br 517259250 PVSFQYBVWGRKPE-UHFFFAOYSA-N 429.277 5.183 30 20 IKED Cc1ccc(-n2nnc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c2C)cc1 517724665 HOZDHMDYDIYIAQ-JOCHJYFZSA-N 441.922 5.445 30 20 IKED Cc1[nH]c2ccccc2c1C1=CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 518256382 DCVMBMPCVHXYHC-QGZVFWFLSA-N 430.577 6.192 30 20 IKED CC(C)OC(=O)C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1 518256542 ZFHTUNCOIHQGEO-XLIONFOSSA-N 425.554 5.285 30 20 IKED C=CCn1c(Sc2nc(C(F)F)nc3ccccc23)nnc1-c1ccc(Cl)cc1 518705114 FGUCCSBTMFGGCF-UHFFFAOYSA-N 429.883 5.817 30 20 IKED CC(C)[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1cccc(C(F)(F)F)c1 518820686 RZBXZQDHQZBAEK-QHCPKHFHSA-N 445.485 5.246 30 20 IKED COCCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@@H](C)c1ccccc1 520178349 FFNMMHAKFFKJJI-YADARESESA-N 447.966 6.237 30 20 IKED N#C[C@H](C(=O)c1csc(-c2cccs2)n1)c1nc(-c2c(F)cccc2F)cs1 521259319 MVMYGSDLUHFJPZ-SNVBAGLBSA-N 429.498 5.763 30 20 IKED COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 522957134 ALACENUAFIQBFK-IBGZPJMESA-N 442.357 5.628 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cccc(N3CCCC3=O)c2)c1 523881625 KCRJGGRLXMSFAR-UHFFFAOYSA-N 431.879 5.383 30 20 IKED CCCc1c(NC(=O)c2cnn(-c3ccc(C)cc3)c2CC)cnn1-c1cccc(C#N)c1 527136375 FQIPUGAFTGKWIX-UHFFFAOYSA-N 438.535 5.005 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ncc(-c3cccs3)[nH]2)cc1 527464788 NNKNHFNYLSJHFU-UHFFFAOYSA-N 430.558 5.232 30 20 IKED CCOc1ccc(F)c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1F 534044607 VLDPENWSZBWBHJ-UHFFFAOYSA-N 439.437 5.609 30 20 IKED Cc1nc(-c2cc3c(s2)CCN(C(=O)CCCCOc2cccc(C#N)c2)C3)cs1 537931446 QTYLGJCWXAOYFC-UHFFFAOYSA-N 437.590 5.186 30 20 IKED CCN(C(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1)c1ccc(C#N)c(Cl)c1 538072200 VNOOLDHQBYMNBN-UHFFFAOYSA-N 434.714 5.074 30 20 IKED C[C@@H](NC(=O)c1ccccc1Oc1ccccc1C#N)c1nc2ccccc2n1C(F)F 538676564 MYPAIPXVFHAIPU-OAHLLOKOSA-N 432.430 5.586 30 20 IKED Cc1nc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c(C)s1 541193216 DINXRKUXHBECCK-ZDUSSCGKSA-N 436.343 6.191 30 20 IKED Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 541499427 NUGCWDBFQVTDNZ-IFMALSPDSA-N 427.508 5.226 30 20 IKED COc1ccc2oc([C@H](C)NCC(=O)Nc3ccccc3S[C@H](C)CC#N)c(C)c2c1 541651495 KYMGVBFJKPKNHE-WBVHZDCISA-N 437.565 5.433 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 542031959 DBCRBKSWSKINDR-CYBMUJFWSA-N 431.393 5.127 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1nc2ccccc2n1C1CC1 548942130 XTDBSENOLZJPIB-UHFFFAOYSA-N 437.503 5.665 30 20 IKED C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](c2ccsc2)C1 549292866 XUCDJENGJFBCAU-FQEVSTJZSA-N 426.611 5.094 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCCC(=O)c1ccc(Br)cc1 553453595 DBCHWZYPKSFASA-UHFFFAOYSA-N 446.389 5.184 30 20 IKED Cc1cc(Cl)ccc1CN1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 554206187 KWJAIPDFNAWIPP-SFHVURJKSA-N 443.016 5.392 30 20 IKED N#CCCn1ncc(C(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)c1-c1ccccc1 554266034 VIHRJWZTADVYHR-FQEVSTJZSA-N 436.968 5.124 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(C(=O)c2ccccc2)CC1 559008278 VLMBDVMVBWAREF-UHFFFAOYSA-N 437.547 5.169 30 20 IKED CCc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 562318731 KMNUFNWFNWFXCN-INIZCTEOSA-N 449.816 5.451 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Nc2ccc(O)c(COC(C)C)c2)cc1 565802375 BVUJBWNOCSQVTH-UHFFFAOYSA-N 447.491 5.634 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N(C)Cc1csc(Br)c1 565821732 LLOMHHOTEYXKQI-UHFFFAOYSA-N 447.402 5.031 30 20 IKED O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)N[C@H](CC(F)(F)F)c1ccc(F)cc1 578059679 HKTFJEAAGFMKAS-DOTOQJQBSA-N 436.371 5.540 30 20 IKED CCc1ccc([C@@H](C#N)NC(=O)c2oc3ccccc3c2CSc2nnc(C)s2)cc1 583228549 MCLADBVWUNQGLK-LJQANCHMSA-N 448.573 5.442 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCc3sccc3C2)nc1 603688394 IHOCZCWCPBSMCY-UHFFFAOYSA-N 431.565 5.022 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCC[C@H]3C(=O)Nc4ccccc43)cc2Cl)cc1 604088267 PNBVPPGARJRERZ-LJQANCHMSA-N 446.894 5.251 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3cc(Br)cs3)cc2)cc1 604461374 MKLLCHNUZZXVOJ-UHFFFAOYSA-N 428.311 5.496 30 20 IKED C=CCN(C(=O)CCn1c2ccccc2c2ccccc21)c1nc(C(=O)OCC)cs1 604534030 BLOFZEZPRHJXIN-UHFFFAOYSA-N 433.533 5.037 30 20 IKED C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 608897258 VBYHQUYBTMSTBL-AWEZNQCLSA-N 427.382 5.170 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccccc1COC(C)C 609078794 ONJIZLYTALXNJJ-UHFFFAOYSA-N 443.547 5.692 30 20 IKED COc1ccc([C@@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1Br 609401985 QMHUCGLOJWDTHV-UONOGXRCSA-N 448.386 5.592 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)c2)cc1 609504790 HDCUBWYAPMFKHD-UHFFFAOYSA-N 432.439 5.662 30 20 IKED CN(C)c1ccc(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)c(C(F)(F)F)c1 609552535 IXAIRPIDSPYGLN-UHFFFAOYSA-N 446.473 5.155 30 20 IKED COc1ccc(COCCC(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)cc1 610234836 IKGKAAXZBXJQPN-UHFFFAOYSA-N 434.923 5.360 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](CSc4ccccc4)C3)cn2)cc1 610321242 MUBSVIQOSXEBQQ-IBGZPJMESA-N 430.533 5.392 30 20 IKED COc1ccc2c(c1)OCC[C@H]2NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 610322771 XBMBZYSTTYJYDN-HSZRJFAPSA-N 429.476 5.313 30 20 IKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 611836280 SVVDAIFJUYRPFF-AUSIDOKSSA-N 449.942 5.029 30 20 IKED Cc1sc(-c2ccco2)nc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 613320398 XOIAWNALUXZYSN-CQSZACIVSA-N 425.922 5.979 30 20 IKED N#C[C@H](C(=O)c1ccccc1OC(F)F)c1nc(-c2ccc(Cl)cc2Cl)cs1 613347074 WQFPLHDCVZNYLL-CYBMUJFWSA-N 439.270 6.208 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc2c(OC(F)F)cccc2[nH]1 642175587 OXZLSGIUWNFQFO-MYJAWHEDSA-N 444.322 5.409 30 20 IKED C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 669806865 HYRXDEPOYYFUHS-LJQANCHMSA-N 436.519 5.205 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)NCc2cc(Cl)ccc2OC(F)F)c1C(F)F 676180647 LHTJXEVRJHGIAP-UHFFFAOYSA-N 447.738 5.044 30 20 IKED Fc1cccc(F)c1-c1csc(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)n1 681399505 AUPSUHXFFNKSIR-AOOOYVTPSA-N 430.364 5.651 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCCOCc2ccccc2)cc1 726086037 IBSIUCBSNAEXRS-UHFFFAOYSA-N 431.511 5.016 30 20 IKED FC(F)(F)c1cccc(CNC(=S)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 726474511 HZCLKVPVPJKJLG-TXEJJXNPSA-N 438.359 5.143 30 20 IKED COc1ccc(N2C(=O)/C(=C\c3ccc(N(C)CCC#N)cc3)SC2=S)cc1Cl 726985473 NDIKKQMKAHKUKG-XDHOZWIPSA-N 443.981 5.104 30 20 IKED COc1ccc(N(CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)Cc2cccs2)cc1 727140320 WYLWITXNPIXHGU-OAQYLSRUSA-N 440.528 5.001 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccccc2C)n1 727627137 LMCBENIKZXJWAV-HNNXBMFYSA-N 439.924 5.050 30 20 IKED N#CCSc1ccccc1C(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 729365845 YLLSLQCREAPSPQ-UHFFFAOYSA-N 438.556 5.144 30 20 IKED N#C[C@@H](C(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1)c1nc2ccccc2s1 730394623 JJYIVTQOGNZUQZ-KSFYIVLOSA-N 436.508 6.284 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2ccccc2NC(=O)Cc2cccs2)cc1OC 730499852 IUEPKWRFEMBNET-QBFSEMIESA-N 448.544 5.155 30 20 IKED CC(C)C[C@@H](C)N(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc2[nH]ccc2c1 731984455 JEAIYVJCZPKKKI-LJQANCHMSA-N 438.531 6.308 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1cc(C)ccc1OC(F)F 733081072 MDZLZORZFAKQNJ-UHFFFAOYSA-N 437.372 5.303 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(OCc3ccccc3F)cc2)c1 733844877 XFJOBORYYINZFT-NRFANRHFSA-N 433.483 5.407 30 20 IKED CC1CCN(c2cccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)c2)CC1 739754799 WSHVYLBCCYBTPX-UHFFFAOYSA-N 441.600 6.339 30 20 IKED CC(C)=CC(=O)NCc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 742587736 XRHZZEQRKQAOGE-UHFFFAOYSA-N 425.488 5.185 30 20 IKED CC(C)Sc1ccc(Cl)cc1NC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 743148705 HMGQBRNIFGDBDL-UHFFFAOYSA-N 444.988 5.317 30 20 IKED CC(C)(C)c1ncc(/C=C\C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)s1 744026381 XMGSAQXNGDCSBW-CDNLZTBQSA-N 435.521 5.116 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)n1 747196533 MMUFVXPHUFVQNZ-HRAATJIYSA-N 428.529 6.255 30 20 IKED COc1ccc(OCc2nc(/C=C\C(=O)c3ccc(SC)c(OC)c3)cs2)cc1 747614405 GSIMSFAPXWJELP-YHYXMXQVSA-N 427.547 5.357 30 20 IKED C=CCn1c(SCc2cccnc2Cl)nc2scc(-c3cccs3)c2c1=O 750824167 HIBVQIYUGZSVCA-UHFFFAOYSA-N 431.995 5.713 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC2CCC(N3CCCCC3)CC2)cc1 751109901 IYRDJDMGFPQANZ-UHFFFAOYSA-N 448.586 5.206 30 20 IKED C[C@H](C[C@@H](O)c1ccco1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 759491219 KYJXPBGLGRAXDU-AUUYWEPGSA-N 425.872 5.231 30 20 IKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2cc(Cl)ccc2Sc2ccccc2)n1 759637339 JRPWPHZAHZFELJ-QGZVFWFLSA-N 442.949 5.289 30 20 IKED CCOc1ccc(-n2c(SC[C@@H](O)c3ccc(C#N)cc3)nnc2-c2cccs2)cc1 764679888 WZPGHJIKSJPNSD-HXUWFJFHSA-N 448.573 5.092 30 20 IKED N#CCCCn1cc(C(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)c2ccccc21 768308756 MAXAMWXFAVDLHS-OAQYLSRUSA-N 430.335 5.105 30 20 IKED N#Cc1ccccc1NC(=S)N(Cc1ccccc1)Cc1ccc(Br)cc1 771538857 JTMBMTNXTIKRAE-UHFFFAOYSA-N 436.378 5.720 30 20 IKED COCCc1nc(C)c([C@H](C)OC(=O)c2cccc(COc3ccccc3C#N)c2)s1 773910870 HPQBHFTYVMMDAZ-KRWDZBQOSA-N 436.533 5.009 30 20 IKED COc1ccc([C@@H](Cc2ccccc2C)N[C@@H](C)c2ccc(OCC#N)cc2)cc1OC 776161422 WJBDXYBVWODDAM-NBGIEHNGSA-N 430.548 5.549 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cc(Cl)cc(C(F)(F)F)c1 778605538 RMOHUWBAODBIQD-CYBMUJFWSA-N 445.224 5.290 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)Nc1cccc(OCC#N)c1 779402130 CGSFMUIGEWZIPD-NRFANRHFSA-N 436.512 5.135 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1c(Cl)cccc1Oc1ccccc1Cl 780158861 AFBIFNYHDZWPCW-AWEZNQCLSA-N 427.287 6.329 30 20 IKED CCCCOc1cccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 783891166 VEDXNTNGTMNEMS-XMMPIXPASA-N 427.504 5.098 30 20 IKED Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)O[C@H](C)C(=O)Nc1ccccc1C#N 787483225 OSOAOPLDJPQIDI-GOSISDBHSA-N 435.483 5.266 30 20 IKED CCCc1c(N[C@H](C)c2ccc(OCC#N)cc2)cnn1-c1cc(F)c(OC)cc1F 795855929 KFJRCXGXWSWLDV-OAHLLOKOSA-N 426.467 5.187 30 20 IKED Cc1ccc(C)c(NC(=O)Cc2nc(COC(=O)C[C@@H](CC#N)c3ccccc3)cs2)c1 795982748 RZOFRHZHBRJYCG-HXUWFJFHSA-N 447.560 5.072 30 20 IKED CCCc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(CC)cc2)cc1 797799693 NALAXHVMYHXTCV-UHFFFAOYSA-O 428.581 5.684 30 20 IKED CCCCNC(=O)OC[C@H]1CCCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 806200972 QMAXCTRAMJQFRP-RPWUZVMVSA-N 448.567 5.255 30 20 IKED COCc1ccccc1/C=C(C)/C=C/C(=O)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 814190026 NIBWEMRAMWVLGJ-WTHIONNESA-N 438.467 5.011 30 20 IKED COC(=O)[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccc(OC)c1 864010869 NWNNXTYYRBMCIJ-HSZRJFAPSA-N 436.895 5.125 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc(OC)c1OC 915359048 JUDKAIXIXDHQTJ-VGSWGCGISA-N 445.519 5.251 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 915860086 HSNPXXSPKLPUIY-UHFFFAOYSA-N 444.491 5.653 30 20 IKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(CCC(C)C)C1=O 916216756 YHRGKEXAHHMERG-NRFANRHFSA-N 439.581 5.010 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1C=Nn1c(S)nnc1-c1cc(Cl)ccc1Cl 916333748 SXCNHAJVJNZROB-UHFFFAOYSA-N 443.363 5.225 30 20 IKED N#CCOc1cccc(NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c1 916410676 AYUTWLWESQPALA-UHFFFAOYSA-N 431.542 5.743 30 20 IKED N#C[C@@H](C(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1 916884789 GMNHPHMRXXFBLV-HNNXBMFYSA-N 425.699 5.153 30 20 IKED CSc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1[N+](=O)[O-] 916906253 RSDBFCOJTDGVKK-QGZVFWFLSA-N 447.472 5.070 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(Br)c3c(c2)OCO3)cc1 919815063 ORGCCCWFYFBQIW-SFHVURJKSA-N 435.277 5.086 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@@H]3CCCc4cc(OC)ccc43)n2)cc1 920144404 PSVLWGGWLBIUFS-AVRDEDQJSA-N 432.545 5.514 30 20 IKED CCCN(Cc1cccc(OCc2ccccc2C#N)c1)Cc1nc(O)c2sccc2n1 1116439521 FGLGUKVLOPQIBH-UHFFFAOYSA-N 444.560 5.260 30 20 IKED CC1(C)CCc2nc(O)c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)cc2C1 1324242971 HUWSHWZBSLPEAX-UHFFFAOYSA-N 427.504 5.005 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cnc(CCCCC)s4)CCC3)cc2)C1 1785810449 SRXMOZCHWIZCQE-UHFFFAOYSA-N 437.609 5.590 30 20 IKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCC(F)(F)C4)CCC3)cc2)c1 1790795160 CKVSTWUVKORRPK-GOSISDBHSA-N 437.490 5.050 30 20 IKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1cccc(C(F)(F)F)c1 1793934243 IDRZHKVNVGIGCD-JRCSXWAFSA-N 446.513 5.125 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2cccc(C)c2)[C@H]1c1cccnc1 1810493315 XPJLFXRIJLUKEA-AHWVRZQESA-N 447.623 5.021 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(C)s2)[nH]n1 1819304116 ZSJLCNNWQMHSJM-CTNGQTDRSA-N 440.613 5.173 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3[nH]ccc3s2)[nH]n1 1819307582 WQPYBUFDTKDJKZ-YJBOKZPZSA-N 437.569 5.027 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1819311200 PUVYJCUBNCBAAY-JMUQELJHSA-N 445.567 5.111 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCCCC2(F)F)[nH]n1 1819553073 RPXPHWWONJFCAM-FUHWJXTLSA-N 436.547 5.220 30 20 IKED CC1=CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)CC1 1823215255 PBZCHIZIDCKWKP-MSYCTHLASA-N 445.567 5.089 30 20 IKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1 1828456917 ZELFEBRZPSORFJ-PJKILVJMSA-N 448.717 5.167 30 20 IKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)sc3Cl)CC2)C1 1829451590 OVNTVBHDNFZXTR-QGZVFWFLSA-N 441.424 5.254 30 20 IKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1829705624 KUCXYRORCXBXOO-RUZDIDTESA-N 434.555 5.302 30 20 IKED CC(C)[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC#N)CC1)c1ccc(Cl)cc1 1831307345 FHCUKEGGJLNBJP-LADGPHEKSA-N 444.019 5.003 30 20 IKED Cc1cc(C)c(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2cccc(O)c2)cc1C 10759873 GJSJNCISOXDIQW-UHFFFAOYSA-O 443.951 5.448 30 20 IKED CC(C)OCCCn1c(SCc2ccc(C#N)cc2F)nc2cc(Cl)ccc2c1=O 10890799 FKZLRCMILPCNHB-UHFFFAOYSA-N 445.947 5.168 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1coc(-c2cccs2)n1 24853017 WEWVZRAQKSPWTN-UHFFFAOYSA-N 428.514 5.191 30 20 IKED COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 97547530 URXQPZFFAPWXMF-SANMLTNESA-N 442.515 5.181 30 20 IKED Cc1noc(C)c1CSc1ccccc1/C(O)=N/c1nc(-c2ccccc2Cl)n[nH]1 97576547 SVRBEYPTMFONBR-UHFFFAOYSA-N 439.928 5.659 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1 108377727 UAIVBRJNGCWWOW-UHFFFAOYSA-N 426.447 5.983 30 20 IKED C=CCc1ccc(OCC(=O)Nc2nc(-c3ccccc3OC(F)F)cs2)c(OC)c1 110603431 BZDVUTKVNCOFIC-UHFFFAOYSA-N 446.475 5.166 30 20 IKED CCS(=O)(=O)Nc1ccc(C(=O)/C=C\c2ccc(-c3nc4ccccc4s3)o2)cc1 208890786 NDFXKZBWOLBTNL-QBFSEMIESA-N 438.530 5.214 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccccc1OC(F)F 303005232 ZHJXHIOFTPZQKT-UHFFFAOYSA-N 437.899 5.590 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(OCc2cn3ccccc3n2)c1 303398058 QDSTWZIKUKQXSI-GOSISDBHSA-N 442.544 5.417 30 20 IKED Cc1nc2ccc(S(=O)(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2s1 427108292 PXQWAYWMGCUXPO-UHFFFAOYSA-N 449.557 5.051 30 20 IKED N#C[C@@H](C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)c1nc(-c2ccncc2)cs1 430532401 LIXJIQOFTYLGLE-AWEZNQCLSA-N 440.315 5.188 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4ncc(C(C)(C)C)s4)cc3)o2)cc1 430624122 IEJBZVUUQAGAGY-IBGZPJMESA-N 442.544 5.956 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)nn1-c1ccc(Br)cc1 432229544 RMLWPUBBULYKLC-HNNXBMFYSA-N 429.343 5.013 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cc1F 437474410 NUZZUQFMCZWRSE-RTBURBONSA-N 430.435 5.003 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2cccc(C)c2C)cc1 437848513 UIARZCJNRGCBTK-VWLOTQADSA-N 431.580 5.877 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 438179421 QEQQKYHMUKROBM-RTWAWAEBSA-N 439.441 5.195 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2cc(-c3ccccc3)no2)cc1F 438657046 QGNAVOPUTCJKQS-UHFFFAOYSA-N 428.423 5.466 30 20 IKED C=CCN(C(=O)CCOC1CCOCC1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 439790106 SJILXXFELUAFTP-UHFFFAOYSA-N 448.588 5.582 30 20 IKED C=CCC[C@@H](Nc1ccc(C(=O)Nc2nncs2)cn1)c1ccc(C(F)(F)F)cc1 441968254 XTKMBYWEVIGGKU-MRXNPFEDSA-N 433.459 5.324 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1ccc(C(F)(F)F)cc1 442214326 MNAZKFSJUGCJQF-CXAGYDPISA-N 433.430 5.254 30 20 IKED C=CCOc1c(Br)cc(CNc2ccc(C(=O)N(C)C)c(C)c2)cc1OCC 446886694 IWTLSUPMLXOMHL-UHFFFAOYSA-N 447.373 5.035 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccn(C)n1 460225586 AHEDEPLAIUFMIM-LJQANCHMSA-N 435.380 5.276 30 20 IKED C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N(C)[C@@H](C)c1nc2ccccc2s1 460584421 NOBOXZBCLPLKSD-INIZCTEOSA-N 449.580 5.346 30 20 IKED COc1ccc([C@@H](Cc2ccccc2C)NC(=O)[C@@H](C)c2cccc(C#N)c2)cc1OC 461992127 RGXSGPUVBMINQW-YADARESESA-N 428.532 5.088 30 20 IKED Cc1nc(C(F)(F)F)sc1C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 462594679 RRBQVJXFXFGKNM-SNVBAGLBSA-N 434.308 5.105 30 20 IKED C[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)c1ccc(Br)s1 463479436 SFQDPERVIACPIP-CQSZACIVSA-N 441.350 5.703 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cccc(Cn2cnc3ccccc32)c1 465786415 SUNOKTGMJCPMKG-AZGAKELHSA-N 449.558 5.066 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)cc1 474738184 PNLVEZSKQBELOK-UHFFFAOYSA-N 431.458 5.033 30 20 IKED Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)Nc1ccc(OC(C)C)c(C#N)c1 478327252 DEHFZZYIYNGDNR-UHFFFAOYSA-N 429.398 5.580 30 20 IKED N#Cc1ccc(CSc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)cc1F 478514113 GJBRIEHBSINXOO-UHFFFAOYSA-N 444.491 5.025 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1 480134196 GLSXFROAGNQDFV-UHFFFAOYSA-N 447.919 5.914 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C(=O)Nc1ccccc1 481380727 MNVXGZNWADHXHD-IERDGZPVSA-N 432.911 5.144 30 20 IKED C=C(C)Cn1c(SCc2ccc(OCc3ccccn3)cc2)nnc1-c1ccncc1 489419260 AUKHXJDRQNZBMI-UHFFFAOYSA-N 429.549 5.183 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@H](C)c1nc(-c2cccs2)no1 489654176 ATCHKGJDIHGYJJ-CQSZACIVSA-N 425.539 5.008 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)N[C@@H](c3cccs3)C(C)(C)C)o2)cc1 489747096 QWDYZOMYZXVBGE-IBGZPJMESA-N 443.594 5.359 30 20 IKED COc1ccc(CNC2(Cc3ccccc3Br)CC2)cc1OCCCC#N 492260372 SDQHSYBAUXKRJY-UHFFFAOYSA-N 429.358 5.005 30 20 IKED C[C@H](N[C@H](C)c1cc(F)c(Cl)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 492849390 BNNXTKXXWDMJRU-ZJUUUORDSA-N 426.344 5.232 30 20 IKED O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccc(F)cc1OCCC(F)(F)F 500233702 SYHUVAJDDJETEP-UHFFFAOYSA-N 442.356 5.302 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)cc1 502247689 ZQJWNNXNBBRRQF-UHFFFAOYSA-N 443.507 5.199 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 502318232 NDADSJRUEJAAOA-QHCPKHFHSA-N 444.922 6.322 30 20 IKED C=C(C)COc1cc(CN[C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)ccc1OC 506285431 QDIUBLDAZQUYLG-KRWDZBQOSA-N 438.593 5.941 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(CN(Cc2ccc(C#N)cc2)CC(C)C)cs1 507734292 UVPWHBCFCAZEDT-UHFFFAOYSA-N 436.556 5.497 30 20 IKED C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 508498784 UYZGDZXAMVGXPV-UHFFFAOYSA-N 441.379 5.000 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@@H](NCc1ccccc1C(C)(C)C#N)C(F)(F)F 509083388 YHXOOAALBPEMNU-JOCHJYFZSA-N 426.486 5.684 30 20 IKED N#CCCN(C(=O)c1ccc(-c2cccc3cccnc23)cc1)c1ccc2c(c1)OCCO2 510842703 QNQUNOZLCBIQLY-UHFFFAOYSA-N 435.483 5.233 30 20 IKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccc(Cl)cc1 518667856 LFELVNDCPAUFQW-LBPRGKRZSA-N 427.879 5.804 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)CSCC#N)cc2Cl)c(Br)c1 519324128 STRDSYWVRVAQPT-UHFFFAOYSA-N 425.735 5.399 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@@H](C)c1ccccc1Br 519416062 BPNFECIMBGMWOS-GJZGRUSLSA-N 449.439 6.134 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)cc2)nc1 520326034 IDRJTVWVCMOKAN-UHFFFAOYSA-N 432.892 5.775 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(CC)o2)nc2scc(-c3ccc(C)cc3)c2c1=O 521919108 LSHQOCIUZYWBRE-AWEZNQCLSA-N 438.578 5.418 30 20 IKED COc1cc(C)c([C@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC 522073602 RXJVAFWOZDTZNP-KRWDZBQOSA-N 431.492 5.559 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C 524077004 NOGSEZJJUYGHNO-RXVVDRJESA-N 429.495 6.208 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1cc(Br)ccc1OC 525004105 WVHNPIMKZCLPNT-ZDUSSCGKSA-N 426.401 5.215 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N(C[C@@H]2CCCO2)c2ccncc2)c1 525149692 GWZPVXXDOYTERB-QFIPXVFZSA-N 433.895 5.225 30 20 IKED C=CCC[C@@H](NC(=O)N[C@@H]1CCN(C(C)=O)c2ccccc21)c1ccc(C(F)(F)F)cc1 535267881 DZAZPNLUEOOUML-NHCUHLMSSA-N 445.485 5.510 30 20 IKED COCc1cccc(OCC2(Cn3cc(C#N)c(=O)c4cc(C)cc(Cl)c43)CCC2)c1 549199247 HXYWOEBFWJOMDP-UHFFFAOYSA-N 436.939 5.231 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3F)s2)nnc1-c1ccc(F)cc1 551048206 JBBNHLQFQCEADW-ZDUSSCGKSA-N 441.532 5.781 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 554400129 QUMIBUATJHKCJG-HSZRJFAPSA-N 449.938 5.691 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 555241875 AAZOJVWKLYWZLI-WWMYMODYSA-N 442.560 5.161 30 20 IKED N#Cc1cccc(-c2nnc(N3CCC[C@H](Nc4ccccc4)C3)n2Cc2cccs2)c1 555438604 QNGKVJWTWFFOGV-QFIPXVFZSA-N 440.576 5.007 30 20 IKED N#Cc1cc(C(=O)N2CCCC[C@H]2c2ccccc2C(F)(F)F)cnc1C(F)(F)F 555785486 FGWJSECLOQADMK-INIZCTEOSA-N 427.348 5.358 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 557614876 PHLKSVJVHCIKOB-NDEPHWFRSA-N 437.543 5.089 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC1(c2cccc(Cl)c2)CCCC1 562144804 QHJDXHIDGWOEFZ-MRXNPFEDSA-N 441.984 5.258 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1cscc1Br 570151388 NOJAVHJRQVGTBW-UHFFFAOYSA-N 440.363 5.299 30 20 IKED Cc1sc2ncnc(Sc3ccccc3C(=O)NCCc3cccc(C#N)c3)c2c1C 579860162 XOUHVWKPKUDKKR-UHFFFAOYSA-N 444.585 5.304 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3cc(Cl)ccc3C(F)(F)F)CC2)c(F)c1 589025446 LZULNASLXVABDO-UHFFFAOYSA-N 425.813 5.225 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2sc(-c3ccccc3)nc2C)cc1 589725608 UBMICARQRURGAP-UHFFFAOYSA-N 446.576 5.254 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@H]21 594657617 HFHAZCZVCBTVCN-XXWKMLLLSA-N 447.582 5.208 30 20 IKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)CSCc1ccc(C#N)cc1 603742660 GTQGQLMBKBEBNJ-UHFFFAOYSA-N 430.533 5.383 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cnn1-c1cccc(Cl)c1 603764972 QMVJRLDQAPBCJN-UHFFFAOYSA-N 429.867 5.145 30 20 IKED COC(=O)c1ccoc1CSc1ccccc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 603835657 FJXYAHUZYBEYED-IBGZPJMESA-N 442.496 5.397 30 20 IKED O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 607185937 XHKDMTYWBZFXKX-AVWBDOJWSA-N 432.767 5.107 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 608918103 LESXCCMIYXRREP-UHFFFAOYSA-N 432.568 5.197 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCO[C@H](c3cccc(F)c3)C2)cc1 608964344 GNKYDQTZYIBSQE-QHCPKHFHSA-N 432.520 5.203 30 20 IKED COc1ccccc1C1(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 609062447 QJBCSLWEJVUTJH-UHFFFAOYSA-N 432.907 5.470 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(CCN(C)C)Cc1ccccc1 609078676 HEPHHMIUYANPHD-UHFFFAOYSA-N 442.563 5.041 30 20 IKED Cn1cccc1[C@@H]1CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609081023 YPTYKEKIJUUDSO-QFIPXVFZSA-N 434.927 5.498 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1Cl 609164261 JXXISRHMCRJSOR-IBGZPJMESA-N 430.851 5.637 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(-c3csnn3)cc2)c1 609725122 GMMOMMKFNWAZCN-UHFFFAOYSA-N 432.892 5.775 30 20 IKED CSc1ccc(O[C@@H](C)C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 610130180 XCWOLGMVQOFLQU-MHECFPHRSA-N 432.545 5.136 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2cccc(Cl)c2)c1)c1nc2cc(C(F)(F)F)ccc2s1 617898119 IVBKTLMTXSZEHO-HNNXBMFYSA-N 446.841 5.644 30 20 IKED N#CCc1cccc(S(=O)(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)c1 619464013 WUZKKGXGJFHSRY-UHFFFAOYSA-N 434.304 5.048 30 20 IKED Fc1ccc(-n2nc(CN3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c3c2CCC3)cc1 622818285 FXRGFCTUWXTGGY-STQMWFEESA-N 435.387 5.063 30 20 IKED CC[C@H](NC(=O)NCc1cc(F)c(C(F)(F)F)cc1F)c1nc(C(F)(F)F)cs1 672595796 HAZHBGVYHQLTFP-NSHDSACASA-N 447.351 5.409 30 20 IKED Cc1ccc(C(F)(F)F)cc1NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 673765595 CEQZPGKCYIDJKV-GDNZZTSVSA-N 436.318 6.045 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(Br)c(F)cc2Cl)cc1 674388069 WWMOCOCHHBDEKY-UHFFFAOYSA-N 441.688 5.193 30 20 IKED O=C(Nc1ccc(OC(F)F)c2ncccc12)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674562617 OJJROIRRBAOSJP-UWVGGRQHSA-N 443.294 5.041 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)c3ccc(OC(F)F)cc3)o2)cc1 676074766 BJKFNMBOGFRESK-ZDUSSCGKSA-N 432.448 5.266 30 20 IKED O=C(c1cccc(F)c1Sc1ccccc1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 679658887 WPHUEWDULYIYPJ-KBPBESRZSA-N 437.380 5.790 30 20 IKED C#Cc1cccc(N(Cc2ccco2)C(=O)COc2ccc(C3SCCCS3)cc2)c1 728186065 VMDAKZCEZVHGRT-UHFFFAOYSA-N 449.597 5.742 30 20 IKED COc1ccccc1[C@H](C)CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 728765821 TZOUBYAOYXEUOP-CXAGYDPISA-N 445.371 6.496 30 20 IKED Cc1[nH]nc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1Br 729319675 MQSOOSUNPYCLGE-HNNXBMFYSA-N 429.705 5.042 30 20 IKED CCCC1C/C(=C/c2cccc(OCC#N)c2)C(=O)/C(=C\c2cccc(OCC#N)c2)C1 730148168 YWYQTQYSNTZBBA-KHFFFTKUSA-N 426.516 5.738 30 20 IKED C[C@H](Sc1ccccc1Cl)C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 731074499 OGRASJQENAXHEE-CABCVRRESA-N 448.997 5.254 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)OCc3cccc(OCC(F)(F)F)c3)cc2)nc1 732399835 ZRXAZCYKWVOKIY-UHFFFAOYSA-N 428.366 5.044 30 20 IKED N#C[C@H](C(=O)c1cccnc1SC(F)(F)F)c1nc(-c2c(F)cccc2F)cs1 733685419 LCMBJMLSRJFJND-SNVBAGLBSA-N 441.406 5.585 30 20 IKED C=CCOc1ccc(/C=C/C(=O)N[C@@H](Cc2ccc(C)cc2)c2ccccn2)cc1OC 734400449 QSEIABBVNRTQPO-RQOTYCFOSA-N 428.532 5.077 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCC[C@@H](CN4CCCCCC4)C3)c2)s1 740484175 JBWSVZWWNMNXJB-NRFANRHFSA-N 436.625 5.084 30 20 IKED CSc1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 741111664 UZBVEQCJURJYST-ACJLOTCBSA-N 428.966 5.829 30 20 IKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 742961024 JQWBSLPWCLAGMV-HSZRJFAPSA-N 441.462 5.392 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)OC(=O)c1sccc1C#N 744320326 PFXKBKGQVBTJJA-NSHDSACASA-N 433.352 5.732 30 20 IKED Cc1cc(C(=O)OCc2nnc(-c3cccc(C#N)c3)o2)sc1-c1cccc(Cl)c1 744921926 UKUINASJXMFDIO-UHFFFAOYSA-N 435.892 5.656 30 20 IKED Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1cc(Br)c(O)c(Br)c1 746346222 MIEDCPORZZMXQU-AATRIKPKSA-N 442.151 5.208 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(COc3ccccc3)c2C)c1 746741424 WVAWDPDUYYNWTK-JOCHJYFZSA-N 429.520 5.577 30 20 IKED COc1ccc(COC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1C#N 747022184 DHCIFSFSRIZILE-UHFFFAOYSA-N 431.275 5.205 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 747228939 JKWUKJMDYUGYHJ-QHCPKHFHSA-N 426.476 5.447 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@@H](OC(=O)/C=C\c1ccccc1C#N)C(F)(F)F 747773039 KXPDBUFQBSUIBI-OTDUKCBNSA-N 425.410 5.221 30 20 IKED CC(C)n1c([C@@H]2CCCN2CC(=O)[C@@H](C#N)c2nc3ccccc3s2)nc2ccccc21 748823109 MTMHLXZKGIFHHZ-UTKZUKDTSA-N 443.576 5.240 30 20 IKED COc1cc(C#N)cc(Cl)c1OC(=O)c1csc(-c2ccc(OC(C)C)cc2)n1 749113770 RAEBVBDSFFZBPS-UHFFFAOYSA-N 428.897 5.350 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1 751013984 LLVZHZQFWGYWPG-UHFFFAOYSA-N 444.343 6.475 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1C#N 752297533 MOGZRJRBYXUBOQ-FQEVSTJZSA-N 438.484 5.238 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C(/C)c3ccccc3OC(F)F)n2)cc1 753395458 IVBMPGFEJOTFSV-DEQJRXDXSA-N 440.471 5.700 30 20 IKED CC(C)n1cnnc1-c1ccccc1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 753558673 TWHRQGOIRYIYJF-UHFFFAOYSA-N 442.548 5.448 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1Br 757408557 IBCXJMMMDMRAKK-CQSZACIVSA-N 426.097 5.026 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CC[C@H]3CCN(C(=O)OC(C)(C)C)C3)n2)cc1 759213786 SXDQFSHZORKAOQ-HKUYNNGSSA-N 439.581 5.332 30 20 IKED C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)N1CCO[C@H](c2cccc(C#N)c2)C1 761760973 XKRAHLYBMGJWKT-QKKBWIMNSA-N 428.319 5.655 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)O[C@@H]2CCO[C@@H](C3CCOCC3)C2)c1 763118828 HKLBSHCPBLAVDS-FYYLOGMGSA-N 441.911 5.135 30 20 IKED Cc1sc2ncn(N=Cc3ccc(Br)c(F)c3)c(=O)c2c1-c1ccccc1 763141651 URUGBQRJGFPMFN-UHFFFAOYSA-N 442.313 5.217 30 20 IKED N#CCOc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2NCc2ccccc2)cc1 763520655 KMSPMWPAUQSEMB-UHFFFAOYSA-N 439.437 5.401 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)/C=C\c1cccc(Cl)c1 768865105 HGRIXPPKFFXYRU-LUAWRHEFSA-N 425.897 5.120 30 20 IKED COc1ccc(-c2cc3nc(/C(Cl)=C\c4ccc(F)c(C#N)c4)[nH]c(=O)c3s2)cc1 770571361 RGXOOAAWOHVCRQ-CXUHLZMHSA-N 437.883 5.408 30 20 IKED N#C[C@H](COC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Cc1cccs1 772735583 UNPVSQPFIOUUGD-CYBMUJFWSA-N 436.480 5.359 30 20 IKED Cc1ccc(-c2nc(C(=O)OC[C@H](C#N)Cc3cccc(Br)c3)cs2)o1 774394370 UZNQGUWPUOCREA-AWEZNQCLSA-N 431.311 5.013 30 20 IKED Cn1nc(C(F)(F)F)c(CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1Cl 782160844 SCSANQAOQGVNML-UHFFFAOYSA-N 438.812 5.294 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C(C)(C)c1ccc(Cl)cc1F 789218069 STBDGEZPCFWKDG-CQSZACIVSA-N 448.947 5.333 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)Cc1cccc(C(F)F)c1)c1ccc(Cl)cc1Cl 790796372 XVFMIVXXRDMYDC-ZBEGNZNMSA-N 425.262 5.060 30 20 IKED Cc1c(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cccc1[N+](=O)[O-] 796800733 YCSSMXDWBJPYGZ-OAHLLOKOSA-N 446.315 5.753 30 20 IKED CCCCCCCC[C@@H](C)CC(=O)N1CCC(O)(c2scnc2Br)CC1 797771661 QNNKHEQGJVTHPQ-MRXNPFEDSA-N 445.467 5.492 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc2ccc(OCc3ccccc3)cc2[nH]1 804463969 HBYCOGNRHCBNOK-UHFFFAOYSA-N 430.504 5.051 30 20 IKED CC(C)(C)OC(=O)N1CCC(Cc2noc(-c3cn(CCCC#N)c4ccccc34)n2)CC1 809335816 QQLSHPQRUHPHTP-UHFFFAOYSA-N 449.555 5.185 30 20 IKED N#Cc1sc(NC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)nc1Cl 813368797 DCHDSEFRKCBATE-UHFFFAOYSA-N 430.276 5.020 30 20 IKED N#CCCC[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F)c1ccccc1 815789986 UGYDLXUBTHNXLH-HNNXBMFYSA-N 437.899 5.145 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 858076121 XCZJQXBQCJTGRQ-OAQYLSRUSA-N 443.478 5.056 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102741 FYAVWJWKANKECE-YVEFUNNKSA-N 442.327 5.632 30 20 IKED CC(=O)N(c1ccccc1)c1nc(C=NNC(=S)Nc2ccc(C(C)C)cc2)cs1 916299533 OYVIJCUACWRZRU-UHFFFAOYSA-N 437.594 5.272 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 916624800 QTLTWDPDDOALIR-RUZDIDTESA-N 442.588 5.217 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1ccc(F)cc1F)C(=O)Nc1ccccc1Oc1ccccc1 916904911 FQCDJGPTCSOMFX-LJQANCHMSA-N 448.425 5.068 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc2cc(Br)ccc2o1 916905738 DZKQRULDAVKTJS-QGZVFWFLSA-N 439.309 5.281 30 20 IKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1OC(C)C 916906290 RXLQPDCBVAVIDK-HXUWFJFHSA-N 444.487 5.236 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(Oc2ccccc2)c1 916927449 JWLZPULBISAZGK-SFHVURJKSA-N 425.271 5.747 30 20 IKED Cc1cccc(-c2nc(CC(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cs2)c1 916945486 WFAZTNKVSJBNAS-GOSISDBHSA-N 444.343 5.315 30 20 IKED CCCc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917043850 PMYLFEFYCJOODU-QGZVFWFLSA-N 444.478 6.107 30 20 IKED Cc1ccc(-c2nnc(S)n2N=Cc2csc(COc3ccc(Cl)cc3)n2)cc1 918709682 RCUBKBYZLFZRSD-UHFFFAOYSA-N 441.969 5.113 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(c3cccc(Cl)c3)CCOCC2)cc1 919714267 YKCZJEFFMRLVCK-DEOSSOPVSA-N 430.935 5.682 30 20 IKED COc1ccc2cc(/C=C\C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)ccc2c1 920143468 WSLVBWHPSVGFCS-ABIGYZDDSA-N 435.508 5.733 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)c2nnc(-c3cccs3)o2)cc1C 920894058 WDVBBDYRJIXXLP-MRXNPFEDSA-N 447.520 5.110 30 20 IKED CSc1nc(O)c(C(=O)N[C@H](C)c2ccc(O[C@H](C)c3ccccc3)cc2)cc1C#N 1531215388 HLIBFBVVGWVJNN-HZPDHXFCSA-N 433.533 5.012 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Sc3cccs3)CCC2)cc1 1786678373 TYCSKLYSXRGUQA-MRXNPFEDSA-N 446.663 5.282 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4c3cnn4C)CCC2)cc1 1789453936 ISODQIFMFZZFIQ-NRFANRHFSA-N 442.563 5.089 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)C[C@H]4C[C@@H]5CC[C@H]4C5)CCC3)cc2)c1 1790258856 QZEUKBFDLVCCTC-KAGYGMCKSA-N 427.548 5.132 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)c3ccc(OC)cc3)CCC2)cc1 1791296399 URSRPYXSMQBHNK-QGZVFWFLSA-N 442.506 5.144 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cncc(C(F)(F)F)c3)CCC2)cc1 1791730764 VICFQMZMNOZDFE-UHFFFAOYSA-N 443.469 5.042 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cccc(C)n2)CC1 1823725744 PFKRSWNSPKYFJY-XIQMRYHBSA-N 437.628 5.015 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)CC2)C1 1828396774 HIUYJOWELXYUMB-HJOGWXRNSA-N 441.015 5.029 30 20 IKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)c(Cl)c1 1830016870 NEDUZIWIPQZAQR-XMMPIXPASA-N 449.982 5.067 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)cc2F)CC1 1830470631 WLKMVDVMSDCZPY-URXFXBBRSA-N 426.576 5.136 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)(C)C)cc2)CC1 1830600233 YXXXHAMVDWXTIO-YKSBVNFPSA-N 440.628 5.309 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(C#N)c2)CC1 1830770776 GRTIOUZVBIBABK-XMMPIXPASA-N 435.612 5.092 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCc3cccc(Cl)c32)CC1 1831377181 VTRSXLSFHDBMBQ-ZEYPLWLESA-N 443.031 5.202 30 20 IKED C=CCn1c(SCC(=O)N2CC[C@H](C)Sc3ccccc32)nnc1-c1ccccc1 11056006 VHUNKYVQVFMNIP-KRWDZBQOSA-N 436.606 5.141 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cccc(Cl)c1)=C(/S)Nc1ccc(F)cc1F 11247486 LDHONLPFFHQDQA-UHFFFAOYSA-O 431.915 5.519 30 20 IKED C=CCn1c(SCC(=O)N(Cc2ccccc2)c2ccccc2)nnc1-c1ccoc1C 12056327 AJYDXSDSGRUWOT-UHFFFAOYSA-N 444.560 5.358 30 20 IKED Cc1cc(C)c(Nc2nnc(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)s2)c(Cl)c1 16328481 AUSHEKCOGSQUQY-DJJJIMSYSA-N 438.022 5.087 30 20 IKED Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)c4ccccc4CC#N)cc3)sc2c1 22619321 AJLNYXBCYFJHIC-UHFFFAOYSA-N 441.512 5.133 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1oc2ccccc2c1CSc1ccc(F)cc1 64455472 KCBBRVNLUOSWGQ-UHFFFAOYSA-N 432.476 5.997 30 20 IKED Cc1nc(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)c2c(C)c(C)sc2n1 303280247 JVRKUDQJZILLBK-GFCCVEGCSA-N 442.635 5.599 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)[C@@H](c3ccccc3)N3CCSCC3)cc2)c1 303367943 RPIUOGKPIUXMKH-XMMPIXPASA-N 429.545 5.079 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3c3c(F)cccc3Cl)c2)c1 303783814 HBSRBWUWBLCDEH-RTBURBONSA-N 433.870 5.345 30 20 IKED Cc1nc(NC(=O)[C@@H](Oc2ccc(F)c(F)c2)c2ccccc2)sc1SCC#N 409816615 DMWLPPKGIQWRAQ-KRWDZBQOSA-N 431.489 5.104 30 20 IKED COc1cc(C)cc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C 427861007 RGAMTICSCNRZJU-HXUWFJFHSA-N 447.922 5.198 30 20 IKED N#CCC[C@H](NC(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1)c1ccccc1 432114298 TXGOZIUCKCOYJM-NQIIRXRSSA-N 426.358 5.068 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC4(CCC4)[C@@H]3c3ccccc3)c2)cc1 432677233 IGHDHDXBTYJZBQ-SANMLTNESA-N 437.543 6.091 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(OC)c1)c1ccc(C(F)(F)F)cc1 434813967 MACNKXRXHCTDAE-QGZVFWFLSA-N 440.849 5.130 30 20 IKED N#Cc1cccc(C2(C(=O)N3CCC(OCc4ccc(Cl)c(Cl)c4)CC3)CC2)c1 435349412 IVTAUUUHOJPNPY-UHFFFAOYSA-N 429.347 5.104 30 20 IKED COc1ccccc1C[C@H](C)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 437836266 CWBQJRIWWHRGRB-IBGZPJMESA-N 429.520 5.763 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](CSc4ccccc4)C3)cc2)cc1 438227528 PIBCHUNPTMOUHJ-HXUWFJFHSA-N 429.545 5.997 30 20 IKED CCOCCOc1c(Cl)cccc1NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 438647034 NBEKHAFDSLZJOX-UHFFFAOYSA-N 427.810 5.290 30 20 IKED CN(CC1(c2ccc(Br)cc2)CC1)C(=O)N[C@H](CCC#N)c1ccccc1 438860258 FTCZGXLXKZSULT-HXUWFJFHSA-N 426.358 5.167 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2C#N)c(F)c1 439659714 HDQHLLWQLYMJNF-QGZVFWFLSA-N 431.511 6.054 30 20 IKED CCCc1c(NC(=O)Cc2csc(-c3cccc(C)c3)n2)cnn1-c1cccc(C#N)c1 440073951 FTYWORGSZDXKAV-UHFFFAOYSA-N 441.560 5.310 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 441095980 RZLXJOMSQFJQHP-GJZGRUSLSA-N 443.560 5.006 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OCc4ccccn4)cc3)n2)cc1 442873104 KPAIHXFTNWZUJC-QFIPXVFZSA-N 436.496 5.146 30 20 IKED Cc1cccc2nc(C3CCN(C(=O)Nc4cccc(C#Cc5ccccn5)c4)CC3)oc12 444821945 FDBPRYGWJQPIOJ-UHFFFAOYSA-N 436.515 5.343 30 20 IKED Cc1ccccc1Sc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1 448319599 ROARGILSNLSEMV-HXUWFJFHSA-N 427.554 6.155 30 20 IKED Cc1ccc(C(=O)N(CC#N)C2CCCC2)cc1OCc1csc(Br)c1 460108178 QEDYQYLLMIZQSP-UHFFFAOYSA-N 433.371 5.306 30 20 IKED Cc1ccc(OCc2nc(CC(=O)N(CCC#N)C34CC5CC(CC(C5)C3)C4)cs2)cc1 460469900 MCELYRGJYMRZBW-UHFFFAOYSA-N 449.620 5.284 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(CCc1nccs1)C(C)C 460789977 CQKGPOBHGMHCSQ-QGZVFWFLSA-N 429.565 5.047 30 20 IKED Cc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 463587148 FDEOZWGVIZKOIZ-KRWDZBQOSA-N 432.833 5.158 30 20 IKED CCN(C(=O)[C@@H](C)c1cccc(C#N)c1)[C@@H]1CCSc2ccc(Br)cc21 463940750 BPONTGYCIJGRIY-IFXJQAMLSA-N 429.383 5.510 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)c12 464464961 IKQKKZBIBBQOST-INIZCTEOSA-N 443.473 5.522 30 20 IKED CCOc1c(Cl)cc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1Cl 467767568 FTTGDFFLBHERNX-UHFFFAOYSA-N 434.323 5.339 30 20 IKED CN(Cc1ccco1)Cc1ccccc1CNC(=O)c1cn(CCCC#N)c2ccccc12 469450384 OMECDDGIBCGFNQ-UHFFFAOYSA-N 440.547 5.100 30 20 IKED O=C(c1ccc(F)cc1F)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469756431 GTBRDQGYJCBJSZ-INIZCTEOSA-N 439.302 5.216 30 20 IKED C[C@H](Cc1ccccc1)n1cccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470773483 OIPYIOHIGXJBOF-HXUWFJFHSA-N 440.547 5.127 30 20 IKED Cc1c(C#N)c(NC(=O)CCN2CC[C@@H](C)C[C@@H]2c2ccco2)n(Cc2ccco2)c1C 472248014 JPNNFPZPPJBVMC-VGOFRKELSA-N 434.540 5.013 30 20 IKED C[C@H](NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1cc2cccc(F)c2o1 475435500 PWAILSZWQGYQNL-HNNXBMFYSA-N 443.434 5.052 30 20 IKED CCN(C[C@H]1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C1)CC(F)(F)F 480277710 LNIQKDFHICQLRC-QGZVFWFLSA-N 447.526 5.056 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N[C@@H](C#N)c1cccc(Br)c1 480858389 SEYYYVOEURZWNS-IBGZPJMESA-N 432.277 5.108 30 20 IKED C=CCN(CC1CCCCC1)C(=O)N[C@@H](c1cc(OC)c(OC)c(OC)c1)C(F)(F)F 482373374 SAGZSJWZCWQCFG-FQEVSTJZSA-N 444.494 5.094 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H](c2ccccc2)C(F)(F)F)cc1 485610859 URDIULALKAKRBE-OAQYLSRUSA-N 440.490 5.926 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N(CC(F)(F)F)C1CC1 488329293 WYXUHJQQDBZADO-UHFFFAOYSA-N 437.487 5.192 30 20 IKED C[C@H](Oc1ccc(F)cc1Br)C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 499807307 BQQDRYOBKWWEMI-XPTSAGLGSA-N 446.103 5.043 30 20 IKED CCN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 501955216 KQWQOFNLUXMIBT-NZQKXSOJSA-N 443.547 5.028 30 20 IKED COCCOc1cccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 502230026 HAFNZWAUCJVJGA-JOCHJYFZSA-N 435.911 5.665 30 20 IKED CN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C1CCN(Cc2ccccc2)CC1 503203680 XHJALGNKVOJVMD-UHFFFAOYSA-N 440.547 5.479 30 20 IKED CCOc1ccc(Br)cc1CN(C(=O)CSc1ccc(C#N)cc1)C1CC1 504776946 UWFCYZPJEPQRRI-UHFFFAOYSA-N 445.382 5.003 30 20 IKED O=C(CN[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)Nc1ccc(F)cc1Cl 505905246 BMMXQAOOUGNOFZ-HNNXBMFYSA-N 428.735 5.330 30 20 IKED N#C[C@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1)c1cccc(C(F)(F)F)c1 505949805 WVNWYOFKWNTAJZ-INIZCTEOSA-N 444.438 5.406 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C(C)C)cc1 508147762 YIGRLFKAVFDAQC-UHFFFAOYSA-N 442.563 5.371 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2ccc(Cl)cc2)C2CC2)cc1 511338800 SPQLCAKGQQYJDC-UHFFFAOYSA-N 445.950 6.182 30 20 IKED N#Cc1ccc(OC2CCC(NC(=O)c3ccccc3Sc3ccccc3)CC2)nc1 512312121 FQDVMBPBHGYDQN-UHFFFAOYSA-N 429.545 5.224 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1 514159950 JCAUAJYDERKARG-GOSISDBHSA-N 432.480 5.241 30 20 IKED N#CCCCOc1cccc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1 515619688 HAAYZTNCRLKRDU-UHFFFAOYSA-N 441.409 5.828 30 20 IKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccc(F)cc1Cl 518148101 YXJLWQRLURBVAB-NSHDSACASA-N 445.869 5.943 30 20 IKED CC(C)(NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1cccc(C(F)(F)F)c1 518587542 QELWHLUGEDCIKI-UHFFFAOYSA-N 425.410 5.429 30 20 IKED COc1ccccc1[C@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)N1CCCC1 520938118 QGRVAMOKEZNQGM-NQIIRXRSSA-N 438.597 5.048 30 20 IKED COc1ccc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1Br 521167444 YLWGCRUFSRXUEP-MRXNPFEDSA-N 444.373 5.258 30 20 IKED C=CCn1c(S[C@@H]2CCCN(c3ccc(F)cc3C)C2=O)nnc1-c1ccc(F)cc1 522684554 NAUJJFOEYHCMSK-HXUWFJFHSA-N 440.519 5.005 30 20 IKED Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 523667825 SMAZOFVXHBAGFW-UHFFFAOYSA-N 441.535 5.055 30 20 IKED COc1cc2c(cc1OC)CN(C(=O)c1cccc(Oc3cccc(Cl)c3C#N)c1)CC2 523881678 MSHFPSSRMVRJLL-UHFFFAOYSA-N 448.906 5.220 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)CCSc2ccc(Br)cc2)c1 524382497 FJOUPGRZLBXQSU-UHFFFAOYSA-N 427.270 5.043 30 20 IKED CC(C)(C)OC(=O)C1(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCCC1 531927946 DNSUPFCOJIVHHA-UHFFFAOYSA-N 449.551 5.108 30 20 IKED N#CC1(CCCSc2nnc(-c3ccccc3Cl)n2C2CCCC2)CCOCC1 538410599 CCOHYCPRFWOOSP-UHFFFAOYSA-N 431.005 5.906 30 20 IKED Cc1cc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1C(=O)N(C)C 541093749 SWERBWIKOGGGDM-GOSISDBHSA-N 426.520 5.118 30 20 IKED CC(C)n1nnnc1-c1ccccc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 541414129 NPBSKZSOTZLJOD-UHFFFAOYSA-N 440.532 5.196 30 20 IKED COc1ccc(OC)c(NC(=O)C[C@@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 542106739 WMAWZNNVCRDPCY-RTBURBONSA-N 443.547 5.310 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 543351383 IUZBWLFITPOVPO-YCRPNKLZSA-N 447.457 5.217 30 20 IKED Cc1nccc(NCc2cccc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)c2)n1 543539023 YDGKGWGHVSZBCD-UHFFFAOYSA-N 435.487 5.313 30 20 IKED Cc1c(C(=O)NC2CCN(c3nc4ccccc4s3)CC2)sc2ccc(C#N)cc12 550645025 SIFDRCBBICNHKY-UHFFFAOYSA-N 432.574 5.090 30 20 IKED N#Cc1ccc(-c2nnc(CN[C@@H](c3cccc(C(F)(F)F)c3)C3CCCCC3)o2)cc1 558861402 YSZOCLLEVUXJAY-JOCHJYFZSA-N 440.469 6.038 30 20 IKED Cc1nc([C@H]2CCCOC2)sc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 559536116 ZWXVXOXRYIWVEH-IBGZPJMESA-N 433.533 5.049 30 20 IKED Cc1cccc(-c2cc(Cl)ccc2NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)c1 560102521 YNEICTQGWWGIQN-UHFFFAOYSA-N 434.927 5.339 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)o1 580344235 DUNUNUPXRPVEIB-UHFFFAOYSA-N 443.478 5.370 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)c3ccnc(Oc4ccc(F)cc4F)c3)n2)cc1 581350421 RXPACOVFQZABGM-UHFFFAOYSA-N 434.427 5.400 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1ccc(C#N)c(C(F)(F)F)c1 582686338 NNDKTIBNSDOMDQ-CQSZACIVSA-N 433.455 5.013 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)cc1 592727146 KDKPYZAFWJXATN-QFIPXVFZSA-N 435.524 5.605 30 20 IKED N#C[C@@H](C(=O)c1sc(-c2ccco2)nc1-c1ccccc1)c1nc2cc(F)ccc2s1 592974665 WSQSQFZTDIAYFO-HNNXBMFYSA-N 445.500 6.309 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)cc1Cl 603759126 USURYASACDGGPL-VWNXMTODSA-N 446.934 5.806 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCCCc3nc4ccccc4s3)cn2)cc1 603764282 KPADTUZXMSRUOV-UHFFFAOYSA-N 428.517 5.707 30 20 IKED C[C@H](NC(=O)CSCc1ccc(C#N)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 604016052 FSSXBNCAAGZQAF-KRWDZBQOSA-N 447.535 5.060 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1ccc(COc2ccc3ccccc3c2)o1 608883318 KHGRGOPLNOTKCL-UHFFFAOYSA-N 427.460 5.342 30 20 IKED CC[C@H](c1ccccc1)c1nnc(S[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)o1 609019209 MJQXRJFANRNUEG-DENIHFKCSA-N 448.592 5.656 30 20 IKED N#C[C@H](NC(=O)c1cc(F)c(Cl)cc1Cl)c1ccc(OCc2ccccc2)cc1 609028524 BCSVATAWAMBUTH-NRFANRHFSA-N 429.278 5.706 30 20 IKED CC(C)CCN1Cc2cccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)c2C1 609063717 PAIAMIHKDMIPKN-UHFFFAOYSA-N 429.520 5.344 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(C)nn(-c2ccccc2)c1C 609072469 MYKLVIMBECSOLL-UHFFFAOYSA-N 436.515 5.501 30 20 IKED CCCN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1cc(Cl)ccc1C#N 609285938 HRWRJAOHUAAZTN-GOSISDBHSA-N 444.362 5.160 30 20 IKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 609306299 LTFOGWSEHWERPF-QFQXNSOFSA-N 444.506 5.730 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N[C@H]3CCN(c4ccc(F)cc4F)C3)c2)cc1 609322354 BAEUAGWBMNPHOI-IBGZPJMESA-N 434.446 5.029 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN(Cc1ccco1)c1cccc(Cl)c1 609385493 RZBIWAOLCDLTIN-KRWDZBQOSA-N 439.968 5.830 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN(Cc1ccco1)c1cccc(Cl)c1 609385494 RZBIWAOLCDLTIN-QGZVFWFLSA-N 439.968 5.830 30 20 IKED N#CCn1c(C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc2ccccc21 609645892 UYRRVAMYQLILOT-UHFFFAOYSA-N 428.879 5.323 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@](C)(CO)c1cccc(C(F)(F)F)c1 609712793 NZTHRAXFMZKEMA-VBKZILBWSA-N 437.487 5.129 30 20 IKED CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)c1 610171725 DISSHAKKAAWTQM-UHFFFAOYSA-N 437.849 5.011 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCCC[C@@H]2c2noc(C3CC3)n2)cc1Cl 611186063 BNTTVNUDVUGANZ-LJQANCHMSA-N 448.910 5.632 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N3CCC(OCc4ccc(F)cc4)CC3)c2)cc1 611261811 FFRWQYSVYCXENB-UHFFFAOYSA-N 429.495 5.262 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)o1 613392074 HXISNMFGYDJAGQ-IBGZPJMESA-N 425.469 5.344 30 20 IKED N#C[C@H](C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1nc2cc(Cl)ccc2s1 613404065 ZKHVAYYCMXLMFV-MRXNPFEDSA-N 436.899 5.253 30 20 IKED N#C[C@H](C(=O)c1ccc2c(c1)NC(=O)CCS2)c1nc2cc(C(F)(F)F)ccc2s1 642282274 ZEYYJCHERLEHAH-GFCCVEGCSA-N 447.463 5.239 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674551370 RUBRWZOTANTUFZ-YUMQZZPRSA-N 428.682 5.563 30 20 IKED N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCO[C@H](c2ccccc2Br)C1 725789344 KUNSWOMPUYCQFQ-KRWDZBQOSA-N 446.707 5.239 30 20 IKED CCOc1ccccc1Oc1ccc(CNC(=S)Nc2ccc(C#N)c(Cl)c2)cn1 726468089 QSWZYFLQXHFXOC-UHFFFAOYSA-N 438.940 5.284 30 20 IKED CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)n1 727708799 JMXCJXVIYUOITO-HSZRJFAPSA-N 436.515 5.942 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)/C=C\c3cc(C(F)(F)F)ccc3Cl)CC2)c1 729416403 OJXKIRFKGKJKQO-DAXSKMNVSA-N 434.845 5.314 30 20 IKED COc1ccccc1/C=C(\C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 729418157 YGHMMTWHDBFBPT-XHPQRKPJSA-N 438.527 5.177 30 20 IKED C=CCc1cc(CNC(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)cc(OC)c1OC 729573916 NLUQIUHAFXJUJH-UHFFFAOYSA-N 441.528 5.101 30 20 IKED Cc1cc(C(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)c(C)n1-c1ccc(C#N)cc1 730553063 QMCCLHKNYURGGF-FQEVSTJZSA-N 438.531 5.513 30 20 IKED Cc1cc(C)c2cc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)sc2n1 731067027 MIGJHYLKZMNEKL-OAHLLOKOSA-N 439.562 5.103 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)[nH]c12 735793536 VDVMDRATUBNQHP-RTBURBONSA-N 432.524 5.094 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc3c(c2)COC3)cc(Br)c1OC(F)F 742436004 DFPCDQAXHRDLKF-UTCJRWHESA-N 439.252 5.376 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(C(=O)N(C)CC(C)(C)C)c2)cc1 744032722 IEQQZTHNAOZWRP-MBSDFSHPSA-N 447.579 5.279 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)COc3ccc(-c4ccccc4)cc3Cl)o2)cc1 744581846 VTFXTJAHTQKHAO-UHFFFAOYSA-N 445.862 5.051 30 20 IKED C#CCN(C(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)C1CCCCC1 744843322 HKEZKWRFQWEFTH-LJQANCHMSA-N 435.543 5.045 30 20 IKED C[C@@H](OC(=O)[C@H](Sc1ccccc1F)c1ccccc1)C(=O)Nc1ccccc1C#N 744973695 FBHOLGKIDOJDMV-OPAMFIHVSA-N 434.492 5.101 30 20 IKED Cc1ccc(NC(=O)N(C)C)c(C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)c1 745034328 CNDNOZQMJCJICC-UHFFFAOYSA-N 441.531 5.145 30 20 IKED Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)OCC(F)(F)C(F)F)c12 745067926 XGVNVFDEKBYMKC-UHFFFAOYSA-N 436.283 5.274 30 20 IKED O=C(/C(=C/c1ccc(Br)cc1)c1nc2ccccc2oc1=O)c1ccccc1 746957729 GEVDDRGEALILQE-NBVRZTHBSA-N 432.273 5.374 30 20 IKED N#Cc1ccccc1Oc1ccc(NCc2ccc(S(=O)(=O)C(F)F)cc2)cc1F 747475462 DHOPVYSGTFROPO-UHFFFAOYSA-N 432.423 5.098 30 20 IKED CC(=NNc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(Cl)ccc1Cl 748085991 VGGPHIGXQCEOOT-UHFFFAOYSA-N 441.365 5.087 30 20 IKED Cc1csc(SCc2ccc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc2)n1 752033746 CKKMMDIHUNDCPC-FCHUYYIVSA-N 433.602 5.656 30 20 IKED CC(C)(C)O[C@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1 754533555 SHXWWXOHAJNNOK-BTYIYWSLSA-N 426.488 5.821 30 20 IKED C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccc([N+](=O)[O-])cc1F 755616220 WYBOAFYYRDYRIO-BZNIZROVSA-N 429.860 5.491 30 20 IKED CC(=O)Nc1ccc(C(C)=NO[C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 757614853 MZGOJWSRHDJTHM-LBPRGKRZSA-N 433.295 5.504 30 20 IKED Cc1ccc(-c2cncc(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)c2)cc1 758090091 OOKAKBALDFNQTL-SFHVURJKSA-N 445.544 5.104 30 20 IKED C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 760202145 PCWJBISJIWUXDO-LIRRHRJNSA-N 433.920 5.421 30 20 IKED CC(C)c1ccccc1N=C1SCCCN1C(=O)CCc1nnc(C2CCCC2)o1 760264981 QDYPGXNUCKSKPB-UHFFFAOYSA-N 426.586 5.436 30 20 IKED Cc1cc(F)cc(C(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)c1[N+](=O)[O-] 760558206 PDHNZUFHEVWKCK-UHFFFAOYSA-N 440.271 5.255 30 20 IKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(F)cc3OCC#N)o2)cc1 760796003 LOJWQLPLPLLKTI-UHFFFAOYSA-N 427.435 5.611 30 20 IKED C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 763727116 ZEJKLBGHPHZBOL-YFXJRYMSSA-N 448.567 5.109 30 20 IKED Cc1cccc(-c2cncc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2)c1 768763507 OTAFJOOZVJISJK-FQEVSTJZSA-N 437.471 5.333 30 20 IKED CCc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cnn1-c1ccccc1OC 769442320 DKSBLPPKSPMLBS-QFIPXVFZSA-N 436.515 5.351 30 20 IKED CCOc1cc(/C=C/C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1O 770487747 XCSQDNCRAJMLFN-GXDHUFHOSA-N 428.488 5.088 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3ccccc3O[C@@H](C)C#N)c2)cc1 780176610 MBUZACHQPIIGIY-FQEVSTJZSA-N 442.515 5.330 30 20 IKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 780306780 ZZOOOUOSEHCKDH-OAQYLSRUSA-N 435.483 5.180 30 20 IKED N#C[C@H](C(=O)CCc1cc(F)ccc1Br)c1nc(-c2ccccc2)cs1 784833357 IQFJHJRBOOVGJS-MRXNPFEDSA-N 429.314 5.521 30 20 IKED O=C(COc1ccc(C(=O)/C=C\c2ncc(C(F)(F)F)s2)cc1)Nc1ccccc1 788348388 BJZNEOKUHXOTPC-KHPPLWFESA-N 432.423 5.076 30 20 IKED N#CCCn1cc(/C=C/C(=O)c2cccc(OCc3ccccc3)c2)c(-c2ccncc2)n1 788349053 IIUXUQFOXIBSSG-ZHACJKMWSA-N 434.499 5.334 30 20 IKED COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)c(C)c1OC 794740179 SVGVDRPTMCRHHB-WQLSENKSSA-N 436.533 5.358 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cnn(Cc4ccccc4)c3Cl)c2)c1 795231802 VEMLTVRAVCRRJL-UHFFFAOYSA-N 442.906 5.288 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc2c(c1)OCO2 796760589 CEFDZIMTVKBYKO-IAQYHMDHSA-N 445.327 5.826 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cc(F)c(Br)c(Cl)c1 796799582 RJDBCAIUEDURJP-AWEZNQCLSA-N 445.675 5.356 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ncnc(Cl)c2C(C)C)cs1 797405433 VSCRFPUELUEWGO-UHFFFAOYSA-N 449.367 5.494 30 20 IKED Cc1csc(SCc2ccc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)cc2)n1 797569614 TVNXBHOZZQVSSC-INIZCTEOSA-N 427.620 5.988 30 20 IKED C[C@H](OC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl)C(=O)Nc1ccccc1C#N 799592553 NQVWDRPHNNTWRF-LBPRGKRZSA-N 428.275 5.044 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H](F)c1ccc(C(F)(F)F)cc1 801661434 PTXMAYYCIZLRLN-MROQNXINSA-N 439.293 5.742 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 804560493 CQIXDKGFEQJPML-IFMALSPDSA-N 446.636 5.042 30 20 IKED COc1ccccc1O[C@@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 806200525 GGLAXZOZZWYPGB-RPWUZVMVSA-N 441.531 5.426 30 20 IKED O=C(O[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1cc(O)nc2ccc(F)cc12 809326241 HUOTWPITLFALEA-MRXNPFEDSA-N 433.279 5.559 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2sc3ccccc3c2Br)c1 810403877 WOYIPSDXQKWEJJ-CQSZACIVSA-N 429.339 5.275 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H](NC(=O)c1cccc(CC#N)c1)CC(C)(C)O2 812356468 FSFNWMXOKYZTPH-FQEVSTJZSA-N 435.524 5.132 30 20 IKED CN(Cc1ccccc1NCc1cc(C#N)ccc1N(C)C)C(=O)c1cc2ccccc2o1 864030248 YQTXJWQSVWCAAL-UHFFFAOYSA-N 438.531 5.255 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc([C@@H]2CCCN2C(=O)OC(C)(C)C)no1 904707042 XEAHWFYYSRFCNQ-HNNXBMFYSA-N 439.434 5.392 30 20 IKED CCCCCCn1nc(C(=O)N(CC)[C@@H](C)c2ccc(C#N)cc2)c2ccccc2c1=O 914509555 PRHXABDACFTLIS-IBGZPJMESA-N 430.552 5.072 30 20 IKED COc1ccc(C=NNc2ccc(F)cc2Br)cc1OCc1cccnc1 915049744 XBUAZUIYCLZEGF-UHFFFAOYSA-N 430.277 5.017 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)S1 915849059 RWWPKULQSWJDMH-XSFVSMFZSA-N 436.537 5.094 30 20 IKED CC(=O)N(c1ccccc1)c1nc(C=NNc2nc(Cl)c(Cl)cc2Cl)cs1 916318673 XLDDTWWHZYDCBC-UHFFFAOYSA-N 440.743 5.629 30 20 IKED Sc1nnc(SCc2ccccc2)n1N=Cc1csc(-c2ccc(Cl)cc2)n1 916368857 RQIJZOHHSBHZMZ-UHFFFAOYSA-N 444.010 5.518 30 20 IKED C(=NNc1nc(-c2ccccc2)cs1)c1cn(Cc2ccccc2)nc1-c1cccnc1 916545774 XZFOWRDQOUWYRG-UHFFFAOYSA-N 436.544 5.563 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)c1 916897308 XFDUERDQLMSBKH-NRFANRHFSA-N 438.405 5.767 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccc(F)cc2)o1 916901623 MNPSBHJCZVDBBX-HNNXBMFYSA-N 426.831 5.017 30 20 IKED COc1ccc(SCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916977124 KLJRITWTNOQQHC-SFHVURJKSA-N 428.966 5.831 30 20 IKED N#C[C@@H](C(=O)C1(c2ccc(Br)cc2)CC1)c1nc2cc(Cl)ccc2s1 917046009 FGIZPAATVUOISG-AWEZNQCLSA-N 431.742 5.620 30 20 IKED Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917047444 XNWZNYLSQFFADH-HKUYNNGSSA-N 439.968 5.279 30 20 IKED CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(C)c(C)c2)cc1 917613733 RJFQNNJKSBABLP-UHFFFAOYSA-O 428.581 5.738 30 20 IKED N#C[C@H](C(=O)[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1)c1ccc2ccccc2n1 920106016 ITQOJXKSGXWZDN-ICPLWIROSA-N 443.934 5.159 30 20 IKED N#C[C@@H](C(=O)CSc1ncnc2scc(-c3ccccc3)c12)c1nc2ccccc2o1 920112794 JHGTUMBGRCZKHJ-HNNXBMFYSA-N 442.525 5.468 30 20 IKED C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(-c2ccccc2)nc1O 1469266581 LPFXWCFLEILEPO-OAHLLOKOSA-N 425.410 5.027 30 20 IKED Cn1c(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4)CCC3)cc2)cc2ccccc21 1788885903 GQRHXSKPFMEOJS-UHFFFAOYSA-N 448.526 5.111 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)n4ccccc34)CCC2)cc1 1791588448 PPMSILJRMAIEKS-UHFFFAOYSA-N 449.554 5.930 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCC2CCCC2)[C@H]1c1cccnc1 1806198413 RXLPXGRDDPPUFI-ISKFKSNPSA-N 425.617 5.050 30 20 IKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(C)c3ccccc23)[nH]n1 1822404470 OUUZUVDPORZAED-QHCPKHFHSA-N 430.552 5.072 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(CC)cc2)[n+]2ccc(CC)cc2)cc1 10174001 VZFSSFUCLPTXCB-UHFFFAOYSA-O 433.597 5.549 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2cccc(OC)c2)cc1 11262056 NCFWTAOLHWIXHU-UHFFFAOYSA-O 425.599 5.274 30 20 IKED Cn1ccnc1[C@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 16977689 FOXJWRZLQMKZPH-MRXNPFEDSA-N 445.338 5.116 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nnc1-c1ccccc1 21755142 MTWDXOPCHCPOFM-IAGOWNOFSA-N 432.549 5.235 30 20 IKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2cccs2)nnc1-c1ccc(Cl)cc1 21847441 CPCIRAFZZHBFSS-KRWDZBQOSA-N 445.013 5.302 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3c[nH]c4ccccc34)o2)c1 23287578 ZBEOGSWLAOJGKH-KRWDZBQOSA-N 445.548 5.262 30 20 IKED CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(C)(C)C#N)cc1 25438010 UKUQKKFTWOMQBD-HXUWFJFHSA-N 446.378 5.578 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C(=O)NC4CCCCC4)CC3)cc2)cc1 62411955 UBYGOLFZSUGIEP-UHFFFAOYSA-N 446.551 5.043 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 72074639 RVPSILZXSPGQDG-CQSZACIVSA-N 446.532 5.447 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1nc(-c2ccco2)oc1C 97542538 RBBDLIWPJSVDNR-UHFFFAOYSA-N 427.460 5.183 30 20 IKED Cc1cc(C)n(-c2ccc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2)n1 108733916 RAYFRACOOUHWDX-UHFFFAOYSA-N 438.506 5.343 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 255935862 ZDXZJTJFIPOWJA-AWEZNQCLSA-N 447.391 5.407 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCOc1ccccc1-c1ccccc1 302934229 IDBLHUMTNHUQDP-UHFFFAOYSA-N 449.510 6.129 30 20 IKED C=CCOc1c(Br)cc(CNCc2ccc(Br)cc2)cc1OC 303082577 WDTJJSLRTZJXHX-UHFFFAOYSA-N 441.163 5.075 30 20 IKED C[C@@H](SCc1nnnn1CC(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 432233856 TUKCAYVPKPWXLB-SSDOTTSWSA-N 438.319 5.267 30 20 IKED COc1cc(F)c([C@@H](C)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1OC 437037761 XGYZHAISDJMIJO-BZNIZROVSA-N 439.371 6.206 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1F 437482975 FNNZFUSYNJTQNM-QGZVFWFLSA-N 429.451 5.019 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC(Cc4ccc(F)c(F)c4)C3)c2)cc1 438617998 CNEIWQONYCFSMA-UHFFFAOYSA-N 447.485 5.316 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 438651370 MSSKCCQSEPWXNM-UHFFFAOYSA-N 438.871 5.656 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)N[C@H](CCC#N)c2ccccc2)cc1 438861379 RVHIYRRPXDXORN-CJFMBICVSA-N 427.548 6.110 30 20 IKED Cc1ccc(OCc2ccccc2)c(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c1 442416059 XDVHWQKSCKICNA-UHFFFAOYSA-N 441.531 5.240 30 20 IKED C=CCn1c(SCc2cc(C)nc(-c3ccc(Cl)cc3)n2)nnc1-c1ccccn1 443514999 AOOMAFWPPSUINM-UHFFFAOYSA-N 434.956 5.237 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CCCC(=O)c1ccc(Br)cc1 446348118 HZVWSHPHVWNBRD-UHFFFAOYSA-N 428.370 6.293 30 20 IKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446634046 BUXVIKVEEQIIBV-VMEOHVCESA-N 446.473 5.065 30 20 IKED CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1ccc(Br)s1 460306047 VQWVXVHSZCIWJY-HNNXBMFYSA-N 428.359 5.002 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)cc1Cl 462919245 NFLADKACXVXWMZ-YKSBVNFPSA-N 432.907 5.654 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c12 464934750 DRUKUSKKNZOVEA-UGKGYDQZSA-N 440.503 5.347 30 20 IKED N#Cc1cc(NC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)ccc1Cl 468379409 MGTQPNGNWJDUKA-UHFFFAOYSA-N 435.698 5.530 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1ccccc1OC 468649019 SBHQLSYDJJIQPS-KRWDZBQOSA-N 447.564 5.660 30 20 IKED COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 470374782 QGXIINOXNFNNQQ-OAHLLOKOSA-N 440.883 5.050 30 20 IKED N#CC[C@@H](CC(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1)c1ccccc1 476476678 POYXQQUIDKVLKC-REWPJTCUSA-N 434.584 5.376 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccccc3CCC(F)(F)F)CC2)c(F)c1 477068938 MKVDMURIZLUJGR-UHFFFAOYSA-N 435.421 5.268 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CC=C(c4ccccc4C(F)(F)F)CC3)cc2)nc1 478400343 AOZWIZPWVUPCPG-UHFFFAOYSA-N 449.432 5.694 30 20 IKED Cn1cccc1CNC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482327074 HAAWJASNFOCNKB-ZDUSSCGKSA-N 447.301 5.166 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Br)c2)nnc1-c1cccs1 489412832 XLRRLCAASFXREO-GFCCVEGCSA-N 449.399 5.074 30 20 IKED N#C[C@H](C(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1)c1nc2ccccc2o1 496611898 NDUBRCKSCMODHV-GOSISDBHSA-N 440.846 5.688 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 504755732 RKGWFPUFKPOLLQ-UHFFFAOYSA-N 429.895 5.500 30 20 IKED CC(C)(C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1)c1cc(F)cc(C#N)c1 506202374 CBVSRTQDRQIFRX-UHFFFAOYSA-N 425.891 5.176 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2ccc(C)cc2Cl)cc1 507826022 OKYHDMADOQTXIU-MRXNPFEDSA-N 435.911 5.760 30 20 IKED CC(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)cc1 508144671 FNNHKYFIKCIMRX-QFBILLFUSA-N 444.000 5.086 30 20 IKED CC1(C#N)CCN(C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)CC1 508149869 LMMSULASHCSLCY-IBGZPJMESA-N 430.321 5.013 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](COCC(C)C)c2ccco2)cc1 508284992 GHYVCKAASFALNP-OAQYLSRUSA-N 449.507 5.488 30 20 IKED C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC([C@H]2CCCO2)CC1 508473096 NACAWMTVDICBEV-XMMPIXPASA-N 444.579 5.106 30 20 IKED C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1csc([C@@H](C)OCC)n1 508936403 RDKCCVHWCVEJAP-QGZVFWFLSA-N 448.596 5.178 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)N[C@H]3CCSc4ccc(Cl)cc43)CC2)cc1 509405496 UUDMNFGKDFXOPY-FQEVSTJZSA-N 427.957 5.002 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC=C(c4ccc(F)cc4)CC3)c2)cc1 509903208 AUHRETZAOFMWFK-UHFFFAOYSA-N 441.506 5.792 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)ccc1OCc1ccccc1Cl 513667041 QPRZNFGSJMTFEL-GOSISDBHSA-N 445.906 5.304 30 20 IKED COc1ccc(CN2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1OCCCC#N 514097953 CFDVEEJXSKPFHM-OAQYLSRUSA-N 432.524 5.155 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccc3c(c2)CCC3)C(C)C)nnc1-c1ccoc1C 514984935 ANTBSNYGAGLPLD-NRFANRHFSA-N 436.581 5.277 30 20 IKED N#Cc1cccnc1Oc1ccccc1NCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 515670385 TZEGVXCDQBVGHB-UHFFFAOYSA-N 444.825 5.051 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3csc(-c4cccs4)n3)c2)c1 515675723 SYFGURUHXGQXSY-UHFFFAOYSA-N 430.514 5.248 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 516270402 WWDFPMPRVPJDFY-GOSISDBHSA-N 444.516 5.743 30 20 IKED C[C@@H]1CCc2[nH]c3ccc(C(=O)[C@H](C#N)c4nc(-c5ccc(C#N)cc5)cs4)cc3c2C1 516270414 XQPMZWSKAVTGPS-VFNWGFHPSA-N 436.540 5.778 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCc1csc2ccccc12 516305265 IGRHKVUAVITKDZ-UHFFFAOYSA-N 441.512 5.129 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)c2cc(Cl)ccc2Br)CC1 517666290 SZPHFRKUJXROOE-UHFFFAOYSA-N 433.733 5.094 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(OC(C)C)c(Cl)c2)cc1C 518912429 KHMKNAJEWCOYAU-UHFFFAOYSA-N 436.943 5.774 30 20 IKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cccs1 520005647 OJKWKXPFXNJQLN-OAQYLSRUSA-N 433.533 5.254 30 20 IKED Cc1cc(C)n(Cc2cccc(-c3noc(/C=C/c4cn(CCC#N)c5ccccc45)n3)c2)n1 520302695 GMJAAWNZDVZOSP-VAWYXSNFSA-N 448.530 5.637 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CC=C(c4cccc5ccccc45)CC3)cc2)nc1 520340032 RKTCRHBVFDYSPX-UHFFFAOYSA-N 431.495 5.828 30 20 IKED C=CC1CCN(C(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)CC1 521095923 XMKIUYZFWRIPAA-UHFFFAOYSA-N 432.471 5.053 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1CN1CCC[C@@H](C)C1 521810454 PMTHPMYBKFETPG-UXHICEINSA-N 436.625 5.634 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 522462511 URNHWXKRZWFOCT-RUZDIDTESA-N 425.532 5.671 30 20 IKED CN(Cc1cc(Br)cs1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 524493480 TUYCTWXXNZIYLA-UHFFFAOYSA-N 441.350 5.233 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC(Cc3cccnc3)CC2)c1 537827032 CJGOJMZSCBWKAK-UHFFFAOYSA-N 431.923 5.494 30 20 IKED Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)N1CCC(CC#N)CC1 541971890 PODFOGGMYGCJQB-UHFFFAOYSA-N 433.531 5.889 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 543491525 SGWOCZHHPQPHRA-RCZVLFRGSA-N 430.479 5.448 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 544524953 UFCNYGKGEPGYRY-ZNLUXHQJSA-N 441.572 5.011 30 20 IKED CC[C@H](C)n1c(SCC(=O)Nc2cc(C#N)ccc2NC2CC2)nnc1-c1ccccc1 552587269 ABIOFDNTDNIVOE-INIZCTEOSA-N 446.580 5.093 30 20 IKED Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 553292231 HAIYZHKSKPIESZ-UHFFFAOYSA-N 435.483 5.371 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 554440333 LINTXOUOVFKTQX-INIZCTEOSA-N 438.528 5.024 30 20 IKED C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 555267131 OMXPJKUSBMCAKZ-XMMPIXPASA-N 449.643 5.061 30 20 IKED Cc1c(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)sc2ccc(C#N)cc12 569492375 LWMHKPRFIZPZBD-UHFFFAOYSA-N 430.489 5.173 30 20 IKED CN(CCC(F)(F)F)[C@@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(Cl)cc1 569596339 BFLRFWUVCCIJKG-FQEVSTJZSA-N 449.904 5.250 30 20 IKED Cc1ccccc1NC(=O)Cc1noc(-c2cccc(Oc3cccc(Cl)c3C#N)c2)n1 570788944 SRJNWCBYGLTNLT-UHFFFAOYSA-N 444.878 5.544 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1)[C@@H]1C[C@@H]1C 581964156 AQJMHQIBXOCKPK-HFJWLAOPSA-N 439.515 5.151 30 20 IKED Cc1nc(CSc2ccc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)cc2)cs1 592973905 KRVBYELDRFQMHA-QGZVFWFLSA-N 439.562 5.983 30 20 IKED CCCOc1ccc([C@H](C)NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1OC 603906915 BGMAQAITVLOEEH-KRWDZBQOSA-N 434.492 5.019 30 20 IKED CCCN(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604500707 YLCIXPSRLRHJGY-UHFFFAOYSA-N 443.547 5.784 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 608918343 IHYZCGVHGDNBPD-HXUWFJFHSA-N 428.536 5.213 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 609020127 DNXHHTSVDAVQPW-UHFFFAOYSA-N 428.879 5.201 30 20 IKED Cc1cccc(NC(=O)NCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 609164581 RDADDSVHJNSSEY-NRFANRHFSA-N 432.911 5.064 30 20 IKED N#CCn1c(C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cc2ccccc21 609167617 MNKVIWGKQRFXJV-UHFFFAOYSA-N 449.341 5.709 30 20 IKED COc1ccc(OC2CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)cc1 609209584 CWSODNUGMADUCY-UHFFFAOYSA-N 443.503 5.434 30 20 IKED CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C(C)C)cc1 609436302 YTLCQGLFDWLPJL-JPYJTQIMSA-N 437.609 5.656 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ccc(Oc2ccccc2)cc1 609439531 RJDBMGKCSDMXAY-GOSISDBHSA-N 445.544 5.128 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NC3(c4nccs4)CCCC3)c2)cc1 609711767 RBADKZRDHZBIER-UHFFFAOYSA-N 432.549 5.379 30 20 IKED COc1ccc(NC(C)=O)c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 609725150 IWSBWMJLWVXRLL-UHFFFAOYSA-N 435.867 5.223 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)o1 610155517 CZDUNRWOOUJXPC-IBGZPJMESA-N 434.801 5.417 30 20 IKED CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@H]1CCCc2c1cnn2C 610972930 SQIFACULHNDKBU-KNQAVFIVSA-N 433.943 5.270 30 20 IKED N#CCn1c(C(=O)N2CCCCC[C@@H]2c2noc(-c3ccc(F)cc3)n2)cc2ccccc21 611536634 SSWXMPWOJYJMQG-OAQYLSRUSA-N 443.482 5.111 30 20 IKED Cc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cs2)o1 613404315 KXMYNEBBRAMIQK-LLVKDONJSA-N 433.436 5.830 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nnc1-c1cccc(C)c1 617940198 FKLIDXHNUVVIII-ZWKOTPCHSA-N 446.576 5.544 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccnc(Oc3ccccc3)c2)cc1 619311806 WBQZKHBHAVZABR-UHFFFAOYSA-N 442.519 5.010 30 20 IKED C[C@@H]1CCCN(c2cc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)ccn2)C1 643677987 FFTDJGRKOXKXMG-CJNGLKHVSA-N 444.482 5.436 30 20 IKED C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 673737168 UCDZMVQNUJBHEY-UHFFFAOYSA-N 441.535 5.058 30 20 IKED O=C(Nc1ccc(Cl)cc1OC(F)F)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 680832607 NNASLPQNSVZELQ-HTQZYQBOSA-N 426.691 5.146 30 20 IKED O=C(NCc1ccc(-c2ccco2)cc1F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 684121267 JCGCBXCIFNBIGF-KBPBESRZSA-N 438.343 5.358 30 20 IKED C#Cc1cccc(NC(=S)Nc2ccc(C)c(NC(=S)Nc3cccc(C#C)c3)c2)c1 726435684 WABAQILJJJFCEY-UHFFFAOYSA-N 440.597 5.575 30 20 IKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2SCC#N)sc1-c1ccc(F)cc1 726656868 FRAXLQUGIBGUJN-UHFFFAOYSA-N 440.521 5.274 30 20 IKED Cc1ccc(-c2nc(CCNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)co2)cc1 726711705 ILKFRAZSFUFHHW-VWLOTQADSA-N 436.515 5.670 30 20 IKED O=C(O)C(=O)/C(=C/c1cccc(OCc2ccccc2F)c1)c1ccc2ccccc2n1 728157112 UUHOFEOBVLLUPC-RCCKNPSSSA-N 427.431 5.147 30 20 IKED CCN(CC)C(=O)COc1ccc(C(=O)/C=C/c2csc(-c3cccs3)n2)cc1 728439791 OKBNOVFMUVGKNC-FMIVXFBMSA-N 426.563 5.015 30 20 IKED COc1ccccc1[C@@H](C)CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 728765824 TZOUBYAOYXEUOP-SUMWQHHRSA-N 445.371 6.496 30 20 IKED Cc1c(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)sc2cccc(F)c12 731070730 QOPINBQZMQAKPB-CYBMUJFWSA-N 442.537 5.396 30 20 IKED COC(=O)Nc1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)ccc1F 735008245 JMMYJGBEJYLFGZ-UHFFFAOYSA-N 439.830 5.574 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)COc3ccc(C(=O)c4ccc(Cl)cc4)cc3)[nH]c12 735793086 PXRKONJQOXXEHT-HXUWFJFHSA-N 443.890 5.011 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)cc2)C[C@@H](C)O1 740443988 KBYQINGEUUTDOJ-HDICACEKSA-N 446.576 5.222 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)NCc3csc(-c4ccccc4)n3)c2)s1 740481125 PRNFYMBUYXGVOB-UHFFFAOYSA-N 430.558 5.410 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\Cc3cc(Cl)ccc3C2=O)cs1 742437276 KVZSYABHQWMIST-GXDHUFHOSA-N 429.328 5.957 30 20 IKED C[C@@H](NC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F)c1cccc(C#N)c1 743149502 WJVVKIRHKAMUIH-CYBMUJFWSA-N 448.445 5.807 30 20 IKED C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1C(F)(F)F 744033313 SEESXNFBZHERCD-FZMZJTMJSA-N 426.797 5.339 30 20 IKED Cc1ccc(C#N)cc1NC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 746377105 VJBJIIPKRDHAAZ-UHFFFAOYSA-N 435.593 5.440 30 20 IKED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)CCc3c(-c4ccc(F)cc4)[nH]c4ccccc34)nc12 750724693 SXFFGGMPMFETBC-FQEVSTJZSA-N 437.478 5.363 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(CCC(F)(F)F)cc1 752477355 OHZJIGFQNDSVFV-OAHLLOKOSA-N 438.833 5.113 30 20 IKED CCN(CC)C(=O)C1(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCCCC1 760008115 NSCWBPNHGWNGEY-QHCPKHFHSA-N 432.568 5.035 30 20 IKED C[C@H](Sc1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc1 761872907 UAMCHXLJXZFQRY-DFBJGRDBSA-N 443.572 6.017 30 20 IKED C[C@@H](c1ccc(-c2cccc(C#N)c2)cc1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 761977134 GKZCSYBTONDILZ-INIZCTEOSA-N 445.906 5.110 30 20 IKED Cc1ccc(C(=O)OCC(C)(C)CC#N)cc1NC(=O)c1ccc(Br)cc1 764843638 ILFMOLLHSQINGW-UHFFFAOYSA-N 429.314 5.107 30 20 IKED Fc1cc(C=Nn2c(S)nnc2-c2ccccc2Br)cc(C(F)(F)F)c1 772838688 LOSNHZWNKUPMPD-UHFFFAOYSA-N 445.239 5.036 30 20 IKED Cc1nc(NCC(=O)O[C@@H](C)c2ccc(C#N)cc2)c2cc(-c3ccccc3)sc2n1 776092453 CTZMXGSAVATWPH-HNNXBMFYSA-N 428.517 5.255 30 20 IKED CN(CCCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)C(=O)OC(C)(C)C 777295301 DMJOYTREKAQWNO-INIZCTEOSA-N 433.961 5.287 30 20 IKED CC(C)[C@@H]1C[C@@H](CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CCO1 781783900 XWFOCFAMVQRDPM-AUJRIZCKSA-N 437.392 6.134 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc(Oc2ccc(C)cn2)cc1 782947562 ZJEORAHEHDVVLW-UHFFFAOYSA-N 441.940 5.051 30 20 IKED CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 786450016 YDSRAFPGLIZRKW-HNNXBMFYSA-N 435.396 5.895 30 20 IKED Cc1ccc(-c2nc(C(=O)OC[C@H](C#N)Cc3ccccc3Br)cs2)o1 786643310 VSSMSXDVVSLDOH-ZDUSSCGKSA-N 431.311 5.013 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc([N+](=O)[O-])c(F)c1 787487641 IAKWUEGADBLLKY-UHFFFAOYSA-N 434.880 5.036 30 20 IKED COc1ccc2c(c1)C(C)(C)/C(=C\c1csc(N(C(C)=O)c3ccc(C)cc3)n1)C2=O 788738621 JOPRSSBYKYCDJL-UUYOSTAYSA-N 432.545 5.702 30 20 IKED C[C@H](NCc1ccc(-c2ccccc2C#N)cc1)c1c[nH]ccc1=NC(=O)OC(C)(C)C 796856461 VHDMTLKOTPLVSX-SFHVURJKSA-N 428.536 5.240 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(C)o2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 797186025 JHKCTNWZVLJFLC-XBXARRHUSA-N 443.858 5.303 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccsc2)N(C[C@@H]2CCC(F)(F)C2)C1=O)Nc1ccccc1 797427229 FLKULZKSNMIIEO-PBHICJAKSA-N 449.548 5.144 30 20 IKED CC(C)(CCC#N)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccsc1 807940285 UIMOGPJFNCTRDT-GOSISDBHSA-N 440.594 5.038 30 20 IKED Cc1ccc(Cn2nc(C)c(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)c2Cl)cc1 813216084 FPGUEDUUVBGMNW-INIZCTEOSA-N 432.833 5.106 30 20 IKED CCOc1ccc(-c2nc(CC(=O)Oc3c(Cl)cc(C#N)cc3OCC)cs2)cc1 914439825 OVZRXQJTTAFZOC-UHFFFAOYSA-N 442.924 5.281 30 20 IKED Cc1sc2ncn(N=Cc3cc(Cl)ccc3OC(F)F)c(=O)c2c1-c1ccccc1 915944378 GQQYJTHWLKMARO-UHFFFAOYSA-N 445.878 5.570 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc(-c2cccs2)n1 916886890 JRCFDEKOSMIZOA-LBPRGKRZSA-N 435.502 5.147 30 20 IKED N#C[C@@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)C(=O)NC1CCCCC1 916895184 GMHPQOPMGHHYPB-QFIPXVFZSA-N 449.501 5.203 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CC(c1ccccc1)c1ccccc1 916901936 TVJSGRUZKADPAI-OAQYLSRUSA-N 446.934 5.527 30 20 IKED N#C[C@@H](C(=O)CCn1c2ccccc2c2ccccc21)c1nc2ccccc2n1C(F)F 917043765 OOOWCIJXWIHWQT-SFHVURJKSA-N 428.442 5.806 30 20 IKED COc1cc2c(cc1NC(=O)c1ccc(COc3ccccc3C#N)o1)oc1ccccc12 917529507 IJTXNAXZHLQEIX-UHFFFAOYSA-N 438.439 5.891 30 20 IKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(C2CC2)C1=O)Nc1ccccc1F 917702854 WFNAMVVCWCOSQH-OAQYLSRUSA-N 433.508 5.102 30 20 IKED C=CCN(Cc1ccccc1F)Cn1nc(-c2ccncc2)n(Cc2ccccc2)c1=S 918182020 MRDVZEBNVKNTAC-UHFFFAOYSA-N 445.567 5.309 30 20 IKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(Oc2cccnc2)cc1 920792325 OHIRZOSWLRQSHO-LJQANCHMSA-N 426.259 5.142 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3ccc(Cl)s3)nc2C)cc1 921130732 CHLDYHUFIMEBTC-AWEZNQCLSA-N 429.954 5.357 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)CC[C@H]3CNc4ccccc4C3)cc2)CCC1 1788067711 NWOCJRUCTWRNHU-LEWJYISDSA-N 445.607 5.397 30 20 IKED C[C@@H](CC(=O)NC1(c2ccc(NC(=O)C/N=C/c3ccco3)cc2)CCC1)c1ccccc1 1789578301 OPIVHYSNKUBDKL-FNVGFWRISA-N 443.547 5.026 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccoc4)CCC3)cc2)c1Cl 1790081936 PZLXBYRINPGMKA-BJMVGYQFSA-N 445.906 5.266 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(F)ccc3Cl)cc2)CCC1 1790670779 NBKODUDNKSOHAU-UHFFFAOYSA-N 444.934 5.210 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3c(Cl)cccc3OC)CCC2)cc1 1791300715 AXBWGILTMLKNRA-UHFFFAOYSA-N 448.897 5.308 30 20 IKED Cc1ccnc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)c1 1792123929 UANLBQMOANHGEP-LJQANCHMSA-N 438.531 5.079 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ncc[nH]4)cc3)cc2)CCC1 1792155129 CIMXOCUGYVTPIL-UHFFFAOYSA-N 440.547 5.018 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccc(Cl)cc2)CCC1 1801548581 JEJHGSSILNVOIP-BJESRGMDSA-N 441.015 5.168 30 20 IKED CCC[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1803685180 WNDKLSFXUYWARF-YEPLINDWSA-N 435.612 5.172 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)c(C)cc2F)n[nH]1 1823202549 BRPFGNQWQZFSGN-IIBYNOLFSA-N 442.510 5.071 30 20 IKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)c(Cl)c2)CC1)C(F)(F)F 1823910516 MWCZFRPPFSIQMM-LJQANCHMSA-N 442.909 5.000 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2C)CC1 1823913134 YXZHMPLIARUIBE-HXUWFJFHSA-N 438.946 5.093 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCCCC2(F)F)CC1 1824641941 JYCOKLNNEBBMGO-FGZHOGPDSA-N 436.587 5.200 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cc(C)cs2)CC1 1825207489 BEJNAJDIFLZJOE-DNQXCXABSA-N 442.669 5.377 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2coc(C(C)C)n2)CC1 1825414111 JFLNVSPINZJVAS-NRFANRHFSA-N 429.605 5.024 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(C(C)C)cc2)CC1 1832034945 YIVSIXUCKQJVJN-SANMLTNESA-N 436.640 5.166 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)C1 1845932487 UWZBRIHKQWDLPW-FCHUYYIVSA-N 429.004 5.051 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)n1 10399567 ILIJRQPSMAZLJR-JTQLQIEISA-N 431.386 5.001 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2SC(F)F)nnc1-c1cccc(C)c1 11810225 JBHPOZUGLNLVKS-UHFFFAOYSA-N 446.548 5.485 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccccc2NC(=O)N2CCCC2)cc1 58387072 CUZWFUIKIIMOBN-UHFFFAOYSA-N 440.503 5.017 30 20 IKED CN(C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1)c1cccc(C#N)c1 63327226 YJBQCLINTHTUDS-UHFFFAOYSA-N 425.257 5.529 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](CCC)c2ccccc2)nnc1-c1ccccc1F 216507745 IINKDTMRFTZBIJ-UTKZUKDTSA-N 438.572 5.408 30 20 IKED CCN(CC)C(=O)Cc1ccc(NCc2cccc(OCc3cccc(C#N)c3)c2)cc1 237054199 CXQBDEHNBJYVBF-UHFFFAOYSA-N 427.548 5.160 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]1c1nc2ccccc2s1 303363749 HYHUWHHSIIQTIA-LPHOPBHVSA-N 436.606 5.324 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2coc(-c3ccc(F)cc3)n2)cc1Cl 303529182 GDXKHNRFWNFMSM-QFIPXVFZSA-N 445.881 5.971 30 20 IKED CC(C)n1c([C@@H]2CCCN([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)nc2ccccc21 303590775 RXIQATNBTZTJJF-FGZHOGPDSA-N 443.595 5.132 30 20 IKED COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Nc1ccc(C#N)cc1Cl)CC2 426153044 LCKCGULIVIMHSE-XMMPIXPASA-N 447.922 5.408 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)Nc3ccc(C4CCC4)cc3)c2)cc1 427659489 JLPLBPGYMOQLAO-UHFFFAOYSA-N 439.515 5.176 30 20 IKED O=C(Nc1cccc(C#Cc2ccccc2)c1)N(CCc1ccccn1)Cc1cccnc1 431600676 BRZNDYVCSAUFAU-UHFFFAOYSA-N 432.527 5.153 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1)c1ccccc1 432675502 LOMZIMJVTIOZCH-XMMPIXPASA-N 444.510 5.312 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccccc2CN(C)c2ccccc2)cc1 433769207 RHGWGJKEGJZWOS-UHFFFAOYSA-N 429.524 5.275 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3ccccc3[C@@H]2CO)cc1Cl 434220755 PCNFONQCNXWZPF-UPVQGACJSA-N 431.923 5.119 30 20 IKED CC(C)(C)C[C@@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccc(Cl)cc1 434820972 HYFSHOBGURQONK-GOSISDBHSA-N 428.964 5.000 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1ccc(C)c(Oc2cc(C)ccn2)c1 439624336 VYSFBNARAQZEGI-FQEVSTJZSA-N 444.535 5.247 30 20 IKED N#CCC[C@@H](NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccccc1 439659978 WNELRTRRTRCNCX-HSZRJFAPSA-N 437.499 5.389 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 441128274 RSRGXNVMBZYHDY-LIRRHRJNSA-N 439.972 5.837 30 20 IKED Cn1ccc2ccc(NC(=O)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cc21 443821816 BSQBKYLZUZETFN-OAQYLSRUSA-N 442.906 5.064 30 20 IKED CCCCCc1ccc(NC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)cc1 446516108 WUVFXYCDCJHNGY-UHFFFAOYSA-N 428.492 5.055 30 20 IKED Cc1cc(CSc2nnc(-c3c[nH]c4ccccc34)n2C[C@H]2CCCO2)ccc1C#N 447294907 KYMXVAPHHFMAJL-LJQANCHMSA-N 429.549 5.078 30 20 IKED N#CCCn1cc(CN[C@H]2C[C@H](c3ccc(Br)cc3)C2)c(-c2ccccc2)n1 462868144 AGFBVSAEAQIBEN-XYWHTSSQSA-N 435.369 5.262 30 20 IKED Cc1nc(C(F)(F)F)sc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 464190487 NOIRNOOPSCVDPS-QMMMGPOBSA-N 429.395 5.362 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)c1cc(C(F)(F)F)ccn1 464476177 WZKJWBNLTFVCRX-LBPRGKRZSA-N 425.197 5.083 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1oc2ccc(F)cc2c1C 471123260 DSCBQOPPPCVKKO-UHFFFAOYSA-N 437.452 5.049 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC2CCN(C3CCCCC3)CC2)cc1 473629349 CXNPINBIULDEHN-UHFFFAOYSA-N 446.595 5.250 30 20 IKED COc1cc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)ccc1F 474287099 ZORRIXKGOXVRBF-UHFFFAOYSA-N 447.310 5.310 30 20 IKED N#CC[C@@H](CC(=O)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1)c1ccccc1 475323638 YPFYEPMQRLPBCK-FQEVSTJZSA-N 443.934 5.455 30 20 IKED C=C(C)[C@H](NC(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1)c1ccc(F)c(F)c1 480694686 NDIWBFXJFZHYOZ-NRFANRHFSA-N 440.450 5.318 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N3CCCC[C@@H]3c3nc4ccccc4o3)n2)c(Cl)c1 481297797 ZAZRIKCKIGNUKU-LJQANCHMSA-N 446.898 5.298 30 20 IKED C=CCn1c(SCc2noc(-c3ccc(Cl)cc3)n2)nnc1-c1cccc(OC)c1 481406923 XJYKNNHPHLGNJF-UHFFFAOYSA-N 439.928 5.135 30 20 IKED C=C(C)[C@H](NCc1csc(N(C(C)=O)c2cccc(C)c2C)n1)c1ccc(F)c(F)c1 481584004 XTYZDFZXJKJDOB-QHCPKHFHSA-N 441.547 6.130 30 20 IKED COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)[C@@H](C#N)c2nccc3ccccc23)cc1 483211339 GJSJOLUNTGCTGU-QFIPXVFZSA-N 439.427 5.434 30 20 IKED Cn1cc([C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C(C)(C)C)cn1 483473725 USINJRVFCCHWPV-IRLDBZIGSA-N 435.959 5.638 30 20 IKED Cc1ccccc1-n1nc(C)c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)sc21 483476501 YVZOYTJQSLTIRW-QGZVFWFLSA-N 425.517 5.081 30 20 IKED C[C@H](C(=O)N(CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1)c1cccc(C#N)c1 485802857 CKDDYEDDHUYZRL-KRWDZBQOSA-N 449.913 5.122 30 20 IKED CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)c1 486569666 YCVJEDSDGXENRJ-UHFFFAOYSA-N 435.612 5.129 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Cc2csc(-c3cccs3)n2)cc1 487997785 TZHQHMWSFJQPMY-UHFFFAOYSA-N 447.560 5.654 30 20 IKED C[C@H](Sc1nc(C(F)(F)F)ccc1C#N)C(=O)Nc1ccccc1-c1ccccc1 488761896 ODJPNERXSBFUPA-AWEZNQCLSA-N 427.451 5.758 30 20 IKED C[C@]12CCN(C(=O)N[C@@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)C[C@@H]1C2(F)F 490175852 IDMVPFGHARQBGN-YDHLFZDLSA-N 430.339 5.386 30 20 IKED COc1cc([C@H](C)NCc2cc(C#N)ccc2Br)ccc1OC1CCCC1 492743861 GWWLZKQTWOFJEI-HNNXBMFYSA-N 429.358 5.502 30 20 IKED CCN(C(=O)CSCc1ccc(C#N)cc1)[C@@H](c1cccnc1)c1ccc(F)cc1F 496572709 MZNPJDCXTRUEFH-DEOSSOPVSA-N 437.515 5.103 30 20 IKED CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 502690933 OHBLYMLZLPLGEL-IBGZPJMESA-N 439.459 5.029 30 20 IKED Cc1occc1C(=O)Nc1cc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)ccc1F 503626255 GNDXYPXFADKWSR-UHFFFAOYSA-N 444.466 5.172 30 20 IKED N#C[C@H](NC(=O)c1c(F)cccc1Br)c1ccc(OCc2ccccc2)cc1 505315474 ZKBQOAVGAIBPGY-FQEVSTJZSA-N 439.284 5.162 30 20 IKED N#C[C@@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1c(Cl)cccc1Cl 505515274 VHBAIJMXEUBTFX-MRXNPFEDSA-N 430.316 5.302 30 20 IKED CC(C)c1c(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cnn1-c1ccc(F)cc1 505964544 CSAWJRJDKUKDDP-LJQANCHMSA-N 430.405 5.148 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC2(c3ccccc3)CCCC2)cc1 506737799 OEQWIHPMRPKWOR-UHFFFAOYSA-N 425.532 5.923 30 20 IKED CN(Cc1ccccc1OC(F)(F)F)C(=O)Nc1ccc(F)cc1OCC(F)(F)F 506859494 RCSRHMFUTLLSDQ-UHFFFAOYSA-N 440.315 5.329 30 20 IKED C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@H](CC(F)(F)F)C1 508879954 JDEVVYBRUCGVIO-MRXNPFEDSA-N 432.446 5.082 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC[C@H]2C(=O)Nc3ccccc32)cc1Cl 510022558 FAOIWXFFJVLSCC-NHCUHLMSSA-N 444.922 5.243 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 510540022 SDUVTYYBDLEMRL-JOCHJYFZSA-N 426.520 5.055 30 20 IKED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2c2cccc3ccccc23)cc1 510628681 IJZGYCNNWRJESI-DEOSSOPVSA-N 449.576 5.015 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 510679580 IJNNOKQLHIMVSG-INIZCTEOSA-N 446.482 5.231 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 511585875 OGXOEOZYPSHMBB-NSHDSACASA-N 440.281 5.346 30 20 IKED C=CCn1c(S[C@@H](C)c2ccccc2Br)nnc1-c1ccccc1OC 513281025 JBGWXTQMJFYFNN-AWEZNQCLSA-N 430.371 5.756 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccccc2N2CCCC2=O)cc1 513944829 RJGVPKFFCKHXLL-UHFFFAOYSA-N 442.494 5.058 30 20 IKED C=CCn1c(SCC(=O)N(C2CC2)[C@H](C)c2ccco2)nnc1-c1ccc(Cl)cc1 518395939 ZFTOFDWIJYTTJR-OAHLLOKOSA-N 442.972 5.222 30 20 IKED C=C(C)CN1CCC(NC(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)CC1 518552043 MACKSYOYOBXQDP-QFIPXVFZSA-N 432.992 5.469 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)c2cccc(COc3ccc(C#N)cc3)c2)c(OC)c1 522306774 JMPKGAMIKIRNTP-RUZDIDTESA-N 442.515 5.132 30 20 IKED COc1cc(COc2ccc(-c3noc(C)n3)cc2)ccc1OCc1cccc(C#N)c1 522623794 JVZYVSCMVAYJAO-UHFFFAOYSA-N 427.460 5.083 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H](c2ccccc2)n2cccn2)cc1Cl 522654511 MVJUYMRCDRDQLV-LADGPHEKSA-N 426.907 5.420 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nc2cc(Cl)cc(C)c2o1 522685237 XDQIDKYXBIYDEH-CQSZACIVSA-N 429.929 5.226 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 523228743 WRSDSJYYOKVBBW-UHFFFAOYSA-N 446.444 5.014 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc2)cc1 527187923 DYIHHHTWPWIMPA-UHFFFAOYSA-N 437.499 5.100 30 20 IKED COc1ccccc1[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccn1 535536571 CIUUPTVKVBECES-GAJHUEQPSA-N 432.549 5.396 30 20 IKED N#CCSc1ccccc1NC(=O)CN1CCc2ccccc2[C@H]1Cc1ccccc1 535599573 RVSHKGCLZJPPOI-XMMPIXPASA-N 427.573 5.083 30 20 IKED CCN(C(=O)c1cc(Br)sc1Br)c1ccc(C#N)c(Cl)c1 536972192 DMQOVFXGCIZQPB-UHFFFAOYSA-N 448.567 5.465 30 20 IKED N#Cc1ccc(Cn2cnc(NC(=O)c3cc(Cl)ccc3SC3CCCC3)n2)cc1 541625025 CHJHAGSWCRLNES-UHFFFAOYSA-N 437.956 5.138 30 20 IKED C[C@@H](NC(=O)c1cccc(NC(=O)c2cccnc2)c1)c1ccc(-c2cccc(C#N)c2)cc1 543915856 VDIFQCMRZMXXSD-LJQANCHMSA-N 446.510 5.364 30 20 IKED N#C[C@H](NC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1)c1ccc(Cl)c(Cl)c1 544225516 VPMBSCMKDHDLSG-JXFKEZNVSA-N 431.367 5.181 30 20 IKED COc1cc(C#N)ccc1NC(=O)c1c(C)c(C2CC2)nc2ccc(Br)cc12 545298213 YYAQEGNFHCTURJ-UHFFFAOYSA-N 436.309 5.316 30 20 IKED CCOc1cc(Cc2noc([C@@H](C)Oc3ccc(C#N)cc3)n2)ccc1OCC(F)(F)F 546370177 YEBLUBLKWWOESI-CQSZACIVSA-N 447.413 5.012 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 549271721 QMLOJPGNFGMTDB-HVCNVCAESA-N 444.579 5.102 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(N2CCc3cc(F)ccc32)CC1 554877111 GTALWPQIUMZIRW-KRWDZBQOSA-N 438.572 5.279 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 561237704 IHCFVOBYDDRVNS-RTWAWAEBSA-N 434.609 5.728 30 20 IKED N#Cc1ccc(NC(=O)CCN2CCc3sccc3[C@@H]2c2cccs2)cc1Cl 564595496 ZXEQRPXMNZGKHE-OAQYLSRUSA-N 427.982 5.311 30 20 IKED C[C@H](NC(=O)NC[C@@H]1CCO[C@@H]1c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 565795595 PCGAUKOBZPRJBP-RRWZXMNXSA-N 425.532 5.363 30 20 IKED COc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 566649384 KEIFTWYNDHPFAI-RUZDIDTESA-N 442.519 5.903 30 20 IKED COc1ccc(CCN(Cc2ccsc2)C(=O)Nc2ccc(C#N)c(F)c2)cc1OC 571129609 VEFPVUFUKXECMB-UHFFFAOYSA-N 439.512 5.053 30 20 IKED C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)Cc1nc(C(F)(F)F)cs1 572138102 FQPBVTHYHATHQS-UHFFFAOYSA-N 432.475 5.114 30 20 IKED COc1cc(OCc2csc(N(C(C)=O)c3c(C)cc(C)cc3Cl)n2)ccc1C#N 576421390 BEBVETIZJHELFL-UHFFFAOYSA-N 441.940 5.557 30 20 IKED Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)CC3 586871539 FGJYPVVMHQCNPX-UHFFFAOYSA-N 446.982 5.193 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(CCc4ccc(O)cc4)CC3)cn2)cc1 603690665 TYKPBHGKRUTKPN-UHFFFAOYSA-N 442.519 5.328 30 20 IKED N#Cc1ccccc1CSCCNC(=O)c1[nH]c2ccc(Br)cc2c1Cl 603785150 YSGWZALVEXIGOH-UHFFFAOYSA-N 448.773 5.119 30 20 IKED COc1ccccc1-c1nnc(S[C@@H](C#N)Cc2ccccc2)n1-c1ccc(C)cc1 604044212 CAFKSULWBJMDHR-OAQYLSRUSA-N 426.545 5.478 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c1 604929825 XPFAWALNMBSJBH-QGZVFWFLSA-N 441.796 5.908 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)C(=O)NC(c1cccs1)c1cccs1 606727577 HTWOXCGBIOZETI-UHFFFAOYSA-N 448.594 5.115 30 20 IKED O=C([C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 607300488 BXHBAAAIMDOTSP-FPQZTECRSA-N 449.313 5.278 30 20 IKED C[C@H]1CCc2c(sc3nc(SC[C@@H](C#N)CCC#N)n(-c4ccccc4)c(=O)c23)C1 608845772 DZWRKFRRWWBFQO-JKSUJKDBSA-N 434.590 5.108 30 20 IKED CCc1c(C)sc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)c1C#N 609033521 ZWJHFLXBDCLDQU-UHFFFAOYSA-N 449.601 5.782 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1cc2ccccc2o1 609078700 JJCQADOVAOIXAW-SFHVURJKSA-N 425.488 6.075 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCCc3nc4ccccc4[nH]3)cc2F)c1 609110422 IQGNSVKCVOMSRT-UHFFFAOYSA-N 428.467 5.114 30 20 IKED CCCN(CCc1ccccn1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 609208467 YDNOBDCBWRKZIE-UHFFFAOYSA-N 430.508 5.241 30 20 IKED Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1ccc(Oc3ccc(C#N)cc3)c(Cl)c1)CC2 609323949 MAQGLLIQIMGTEO-QFIPXVFZSA-N 445.906 5.055 30 20 IKED C[C@H]1CCCN(Cc2ccc(CNC(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)C1 609436729 SHOABXPDUFKDCL-PMACEKPBSA-N 436.625 5.634 30 20 IKED Cc1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1NC(=O)c1ccncc1 609987602 SCIJJODSLNWCAW-UHFFFAOYSA-N 447.498 5.510 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CC[C@H]3c3cccc(F)c3)cc2Cl)cc1 610383955 STTBQJRXDMKRSR-NRFANRHFSA-N 449.869 5.055 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618539667 NBVGJHPJRRNNRW-RKDXNWHRSA-N 442.709 5.953 30 20 IKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 618892258 KCESTIQGEYYNEA-RUZDIDTESA-N 437.499 5.313 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc4c5c(cccc35)CC4)s2)cc1 619126824 XSUPRTKOZUTILM-UHFFFAOYSA-N 428.542 5.206 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(C#N)c(Cl)c1 619828585 VRWFDZIVPRLDRB-UHFFFAOYSA-N 436.712 5.011 30 20 IKED C=CCN(CC=C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(OC)c1OC)CC2 641889739 SZBVNSGTSYQMPR-HNENSFHCSA-N 440.543 5.553 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 685540116 MFFCXCHNVOGKHW-FDDCHVKYSA-N 442.567 5.005 30 20 IKED Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C\C3=Cc4ccccc4OC3)cc2)cc1 726742666 VEGSFVFNKASZJM-NVNXTCNLSA-N 431.513 5.011 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCO[C@H](c3cccc(F)c3)C2)c1=S 727424818 CPWGLAIIBLBBDM-FQEVSTJZSA-N 444.963 5.091 30 20 IKED O=C(/C=C/c1csc(-c2ccsc2)n1)c1ccc(OC(F)F)cc1OC(F)F 728156117 BJIILMYJTUFAMB-DAFODLJHSA-N 429.416 5.971 30 20 IKED C#Cc1cccc(NC(=S)N(CC)[C@@H]2CCSc3ccc(Br)cc32)c1 728796244 DVHOQSOMEGSKTC-GOSISDBHSA-N 431.424 5.686 30 20 IKED Cc1ccc2c(Cl)c(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)sc2c1 729189457 ZDJBMKJKWLXPQO-LBPRGKRZSA-N 437.735 6.131 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)cc1 730664503 LKNTURBOCKWASB-DEOSSOPVSA-N 429.495 5.309 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1c(F)c(F)c(F)c(F)c1F 731040316 RLWUCQXQZFMECF-JTQLQIEISA-N 446.466 5.648 30 20 IKED COc1ccccc1-n1c(SCc2ccc(OCC#N)cc2)nnc1-c1cccs1 731156324 OWEHBNMZTKZTMZ-UHFFFAOYSA-N 434.546 5.199 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(c2ccc(C)c(F)c2)C(=O)N[C@@H]1c1cscn1 731433682 JSOJTWYBTAZZMR-HXUWFJFHSA-N 441.915 5.515 30 20 IKED CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 732398625 AJKCHSPNTMCNNY-ZWKOTPCHSA-N 443.503 5.443 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)OCc3cccc(C(=O)Nc4ccccc4)c3)cc2)nc1 732399685 UXJNOMGQKWGTRO-UHFFFAOYSA-N 449.466 5.355 30 20 IKED C#CCN(C(=O)N[C@@H](c1ccccc1)C1CC1)[C@@H]1CCOc2ccc(Br)cc21 733339130 QTMYVSLVXILBNF-IRLDBZIGSA-N 439.353 5.069 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1 733843569 QRWGISPYZHFYNN-IBGZPJMESA-N 434.521 5.003 30 20 IKED C=CCOc1ccccc1CN(C(=S)NC(C1CC1)C1CC1)c1ccc2c(c1)OCO2 734754914 FLOPIRCODVTGAT-UHFFFAOYSA-N 436.577 5.050 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 735021595 MEAJSJLUFFTLOG-HKBQPEDESA-N 435.549 5.084 30 20 IKED C=CCn1c(SCc2cc(Cl)ccc2OCC#N)nnc1-c1ccc(Cl)cc1 735231234 XWDWEXXRODAKQZ-UHFFFAOYSA-N 431.348 5.633 30 20 IKED N#C[C@H](C(=O)[C@H]1CSc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 735770530 SDUPDLJVAWEASI-CABCVRRESA-N 431.369 6.183 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccncc2)n1)c1ccc(Br)s1 735978451 DRLIXGMAIHLHHX-UHFFFAOYSA-N 442.264 5.218 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)NC(c2cccs2)c2cccs2)ccc1OC 739020727 FEHZPOYMRKYEAF-MRXNPFEDSA-N 441.578 5.088 30 20 IKED COc1cccc([C@@H](C#N)NC(=O)c2cccc(CSc3cc(C)ccc3C)c2)c1OC 741685556 BYKZEDRLMPGYOV-JOCHJYFZSA-N 446.572 5.608 30 20 IKED N#Cc1ccccc1N1CCC(NC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)CC1 742193333 GJGJFJHNHZZYDG-SFTDATJTSA-N 442.588 5.003 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)OCc3ccccc3NC(=O)c3ccco3)c2)cc1 744251078 AXDQAKYLJSMDLW-UHFFFAOYSA-N 437.455 5.504 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3ccc(SCc4ccccc4)cc3)o2)cc1 744819215 AVDHYYSRBBVMHZ-UHFFFAOYSA-N 427.485 5.258 30 20 IKED Cc1ccc(CNC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)cc1F 746016176 SMCGNPFWSCGUGX-UHFFFAOYSA-N 445.338 5.287 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2csc(-c3ccccn3)n2)cc1Cl 749122624 MDDJNINNJNGUGF-GOSISDBHSA-N 430.920 5.766 30 20 IKED C=CCN(C(=O)COC(=O)c1ccoc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 760913248 NBDJMAJBUKUTIG-UHFFFAOYSA-N 437.304 5.086 30 20 IKED C=C(Cl)COc1ccc([C@H](C)N[C@H](c2cc(OC)cc(OC)c2)c2nccn2C)cc1 764813922 LKROGNCLKVYGGP-GAJHUEQPSA-N 441.959 5.009 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Cc1ccc(Br)cc1 765916125 PGUBIZSBZMBMEM-YWZLYKJASA-N 441.369 5.100 30 20 IKED CCc1c(C)nn(-c2cccc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)c2)c1C 766623482 ROEFSQISZFOGBX-DEOSSOPVSA-N 436.515 5.166 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 777287504 VQBXFXMUHQQBPW-PZJWPPBQSA-N 445.519 5.024 30 20 IKED CN(C)c1ccc([C@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)c2c[nH]c3ccccc23)cc1 780173031 ZGEVVBIRGDZZRK-VWLOTQADSA-N 448.570 5.085 30 20 IKED Cc1cc(C(=O)Nc2ccccc2O[C@H](C)C#N)c(C)n1-c1ccc(Br)cc1 780752721 RVRGJSBBFLBVTN-OAHLLOKOSA-N 438.325 5.400 30 20 IKED CC(C)(C)c1nsc(Oc2ccc(NC(=O)c3ccccc3OCC#N)cc2Cl)n1 781787464 DWJNPVZJLUWOFI-UHFFFAOYSA-N 442.928 5.436 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)Cn1c(S)nnc1-c1ccc(Cl)cc1 789889847 OITJEXYAURHMHZ-UHFFFAOYSA-N 426.973 5.378 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2Br)o1)c1nccc2ccccc12 792102619 GBZSYYUBNOYBEO-SFHVURJKSA-N 446.304 5.461 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1c(Br)sc(C)c1C 799602428 QNWDHUZZFDWKCC-HNNXBMFYSA-N 433.371 5.213 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)n1ccc2ccccc2c1=O 805857889 JFBBXBWTOPSXJS-WBMJQRKESA-N 441.434 5.067 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCN(c2ccccc2Cl)C1)c1nc2cc(C(F)(F)F)ccc2s1 810535685 GMAFYSYUCQIPLQ-TZMCWYRMSA-N 449.885 5.671 30 20 IKED Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)s2)cc1 826872596 PVXTZNFODPZZHU-KRWDZBQOSA-N 437.594 5.326 30 20 IKED O=C(/C(=C/c1ccc(-n2cncn2)c(F)c1)c1nc2ccccc2s1)c1ccccc1 844239243 GNTKDTVRUWCPIJ-PDGQHHTCSA-N 426.476 5.440 30 20 IKED C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2cccnc2Oc2ccccc2)no1 904455601 GMXBMLKRWPDUJP-QGZVFWFLSA-N 442.903 5.632 30 20 IKED CC(C)(CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)N1CCc2ccccc2C1 915350234 NNGYRKCKYAKYAZ-AREMUKBSSA-N 438.575 5.300 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(-c2ccc(F)cc2)noc1C 915860420 WEXQNDKNKYLYKX-UHFFFAOYSA-N 428.423 5.409 30 20 IKED O=C(Nc1cccc(C=Nn2c(S)nnc2-c2cccs2)c1)c1ccccc1Cl 916313771 DDEQCLBVRITEAO-UHFFFAOYSA-N 439.953 5.083 30 20 IKED Cc1sc2nc(CS[C@H](C)C(=O)[C@H](C#N)c3ccc4ccccc4n3)nc(O)c2c1C 916848636 FZWGGKCPVSAESQ-GDBMZVCRSA-N 448.573 5.060 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)cc1 917119867 ZCBVIJWZSNAZNB-QHCPKHFHSA-N 429.483 5.304 30 20 IKED FC(F)(F)Oc1ccc(NC(=S)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 918722048 VMOMQFROKVVGTE-DTORHVGOSA-N 440.331 5.345 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2)o1)c1nc(-c2c(F)cccc2F)cs1 920804142 LUTNZNRYUPZGDK-HNNXBMFYSA-N 435.455 5.552 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc(C)oc3C(F)(F)F)cc2)CCC1 1787399454 NPCVRGFWBHPBLZ-UHFFFAOYSA-N 446.469 5.548 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)Cc4ccc5ccccc5c4)cc3)CCC2)CCC1 1787701267 YELPVRCUFJLNSI-UHFFFAOYSA-N 437.543 5.210 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnc(Cl)s3)cc2)CCC1 1789862191 OVBRZKQXVPNIGT-KRWDZBQOSA-N 429.973 5.313 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3c(F)cncc3F)cc2)CCC1 1789862963 ZFQHYQGRBZRRHW-UHFFFAOYSA-N 427.495 5.100 30 20 IKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)o1 1792122591 CIXDRBHYURAGTC-QGZVFWFLSA-N 427.504 5.277 30 20 IKED Cc1ccnc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)c1 1792123928 UANLBQMOANHGEP-IBGZPJMESA-N 438.531 5.079 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(F)ccc3s1)C2 1792573674 PETYVSJWCSLWAR-REPLKXPHSA-N 428.573 5.285 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2C2CC2)[C@@H]1c1cccnc1 1802501359 MAQOYMVOQDAVGJ-WIOPSUGQSA-N 445.607 5.271 30 20 IKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3cc(C(C)(C)C)oc3C)C2)CC1 1808373914 ROTCMDDFSVQTEV-UHFFFAOYSA-N 440.628 5.499 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccnc1 1811955263 SEZRQTIPYQITFP-JWQCQUIFSA-N 447.623 5.517 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)C[C@@H](C)c2ccccc2)[C@@H]1c1cccnc1 1812731965 XPQAQMJWYTVKSZ-QQSVUBKYSA-N 447.623 5.274 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)c2ccc(C)cc2)[C@H]1c1cccnc1 1812755032 FFKPCTYHUQAEAG-NQHRYMMQSA-N 447.623 5.192 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3[nH]c(C)cc3c2)n[nH]1 1821584191 GYVVVDBHKJPVOU-JOCHJYFZSA-N 447.583 5.498 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)n[nH]1 1822015164 SNLIMLFLCCKEKB-RCLSDMTESA-N 426.605 5.221 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc4ccoc4c3)sc2C1 1824063131 CEOHNTQGIKIIGL-QGZVFWFLSA-N 437.565 5.108 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc3ccccc23)CC1 1828001183 PHWIGXVEMMUJKM-RUZDIDTESA-N 447.623 5.461 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H](C)c2ccccc2)CC1 1828832102 YWERMYVIKYDLSD-DNRSQYFGSA-N 436.640 5.568 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H](C)c2ccccc2)CC1 1828832103 YWERMYVIKYDLSD-HDYLNDSGSA-N 436.640 5.568 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)Sc2cccs2)CC1 1831373951 VLEXCPGKWOIGOE-BJLQDIEVSA-N 434.671 5.061 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc(F)c2F)CC1 1832639061 HHJXYAMUZHRWGQ-UGKGYDQZSA-N 448.529 5.106 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC2Cc3ccccc3C2)CC1 1832954396 DAFUYLNKGYINHC-SXOMAYOGSA-N 448.651 5.180 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccc(Cl)cc1Cl 9826190 YBQKLGQWKHFPDH-UHFFFAOYSA-N 449.363 5.177 30 20 IKED Cc1cccc(-n2c(S[C@H](C)C(=O)Nc3ccccc3C#N)nnc2-c2ccccc2)c1 12350965 BKYVJBZZUOPUGZ-GOSISDBHSA-N 439.544 5.234 30 20 IKED COc1cc(/C=C2\Cc3ccccc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 16407262 JXPSMXZGGQLLIM-LDADJPATSA-N 433.891 5.189 30 20 IKED C[C@@H](OC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)C(=O)Nc1cccc(C#N)c1 19165022 MWRAQQSHXUCSNJ-QGZVFWFLSA-N 437.455 5.064 30 20 IKED Cc1cccc(NC(=O)CN(C)C(=O)c2ccccc2Sc2ccccc2C#N)c1C 24863323 XXZUQCNOTUMZGW-UHFFFAOYSA-N 429.545 5.037 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)c1nc(-c2cccs2)no1 26030364 HHKUCFJJYVMCPQ-ZDUSSCGKSA-N 443.529 5.147 30 20 IKED N#CCC[C@@H](C#N)CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(Cl)cc1 61729011 GXQHVWZYORHYKG-ZDUSSCGKSA-N 429.332 5.228 30 20 IKED Cn1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(Cl)c2ccccc21 64715343 LBCSKUIUXFDBLM-LBPRGKRZSA-N 427.863 5.723 30 20 IKED CCOC(=O)c1ccc(C#N)c(SCc2csc(COc3ccc(Cl)cc3)n2)n1 115498329 DPVQADATERGQPV-UHFFFAOYSA-N 445.953 5.111 30 20 IKED C[C@@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1ccc(OCc2cccnc2)cc1 301361297 MBIKKZYUNVDBRL-MRXNPFEDSA-N 425.448 5.162 30 20 IKED CC(C)c1ccc(-c2noc(CCC(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)n2)cc1 303360876 HEWJNNMNOJHYRC-GOSISDBHSA-N 443.334 5.480 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3ccc(C#N)c(C#N)c3)c3cnn(C(C)C)c3n2)c(C)s1 303807247 KMPJMMYNTUAUNK-UHFFFAOYSA-N 440.532 5.353 30 20 IKED Cc1c(C(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)sc2ccc(C#N)cc12 428131545 PCDZTCFUTFMWEF-UHFFFAOYSA-N 439.540 5.539 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)s1 430607727 ZFMVGTAPSAMAHG-SFHVURJKSA-N 427.533 5.178 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1ccccc1Br 432075394 JKYJEHNMLMDCIV-DHSIGJKJSA-N 430.371 5.521 30 20 IKED CC(C)[C@@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1cccnc1 436129751 HZWJVJKTBVSPRS-LJQANCHMSA-N 444.482 5.398 30 20 IKED Cc1ccc(-c2nc(CC(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)cs2)o1 437492147 QNKHRQGMPQUVOP-UHFFFAOYSA-N 433.464 5.696 30 20 IKED O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 438059573 ZLJMMCGUIMRWSR-AULYBMBSSA-N 448.329 5.478 30 20 IKED C[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 438530032 ABVSMLVHNWBIJR-HNNXBMFYSA-N 440.425 5.989 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(Oc3ccc(F)cc3)CC2)cc1F 438657538 WFVRHNOIMBLESS-UHFFFAOYSA-N 449.457 5.704 30 20 IKED N#Cc1cnc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)c(Cl)c1 439252294 YFXJQHKPNZLWEX-UHFFFAOYSA-N 444.903 5.213 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1 442088186 QGCVPMNJLNILAI-KRWDZBQOSA-N 445.544 5.387 30 20 IKED CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cn(CCCC#N)c2ccccc12 444039301 RXWRXHZDYWTDSP-UHFFFAOYSA-N 443.526 5.179 30 20 IKED N#Cc1ccccc1/C=C/c1nc(CC(=O)Nc2nc(-c3ccccc3Cl)cs2)no1 445419213 SCLPONXCMXBBMZ-MDZDMXLPSA-N 447.907 5.070 30 20 IKED Cc1cc(C)c(Br)c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 460710172 ADEWDMBUZCRGQB-UHFFFAOYSA-N 449.348 5.963 30 20 IKED C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@H]1[C@@H]1CCCO1 460809912 BVBONJXUQRSSDA-PMACEKPBSA-N 435.597 5.101 30 20 IKED CCCNc1ccc(C#N)cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C 461699170 ZEXQGYHAHTXWJS-UHFFFAOYSA-N 430.556 5.318 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c(C)cccc2Br)cc1 463595174 LEDGPDBWFMJFSW-UHFFFAOYSA-N 437.293 5.682 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(Cc1ccccc1)[C@H](C)c1ccccc1 463858221 SLUPSDMDPXIEDQ-HXUWFJFHSA-N 441.531 5.074 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1)c1ccccc1 464137612 AGJFDRYRVWOXMA-UHFFFAOYSA-N 448.910 5.193 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1ccc2nc(-c3cccc(Cl)c3)sc2c1 470595306 KNOGYJHDLZQTMJ-UHFFFAOYSA-N 447.951 5.959 30 20 IKED CN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@H]1CCSc2ccc(Br)cc21 475661702 MZNFDWBRXUTGLX-APWZRJJASA-N 429.383 5.532 30 20 IKED N#CC[C@H](CC(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1ccccc1 476160567 QSUYFMXKGUJQGI-LJQANCHMSA-N 439.437 5.596 30 20 IKED Cc1ccc(CN(Cc2ccco2)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)s1 479197094 XYTZGPOKBMEBLM-UHFFFAOYSA-N 449.576 5.623 30 20 IKED CC(C)c1ccccc1N(C(=O)CSc1ccc(C#N)cc1)c1nc2ccccc2s1 482332955 LPSSZBLMCRTTFU-UHFFFAOYSA-N 443.597 6.748 30 20 IKED O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)N(CCC(F)(F)F)Cc1ccccc1 484800643 ZEGCBPOPGCICFV-MRXNPFEDSA-N 440.334 5.732 30 20 IKED N#CCCC[C@@H](NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1ccccc1 487543499 XFKRVGQJDJRIRG-XMMPIXPASA-N 440.572 5.792 30 20 IKED Cc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)C2)cc1 488383565 FTEMBVPGICDYFN-JXFKEZNVSA-N 449.605 5.420 30 20 IKED C=C(C)Cn1c(S[C@H](C)C(=O)c2ccc(NC(=O)CCC)cc2)nnc1-c1ccncc1 489442981 BWEJITTXIDZUKH-QGZVFWFLSA-N 449.580 5.018 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1ccc(C)cc1 489613203 GVCJBPHVUCAWOJ-SFHVURJKSA-N 449.555 5.006 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H]3C[C@H](c4ccccc4Cl)C3)cc2)cc1 492245570 DPLDNGDEJDEBRY-UAPYVXQJSA-N 445.906 5.005 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3c[nH]cc3-c3ccccc3F)s2)cc1 495096794 CSDVPTBAYQUFTI-UHFFFAOYSA-N 435.509 5.089 30 20 IKED C[C@@H](Sc1ccc(C#N)cn1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 495268034 QMWXCDVQUGNDCL-AUUYWEPGSA-N 436.924 5.058 30 20 IKED CCc1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)nn1-c1ccccc1Cl 499164234 LBFIHIYZUGEUTL-MRXNPFEDSA-N 447.951 5.405 30 20 IKED C=CCN(C(=O)c1sc2cccc(F)c2c1COC)c1nc(-c2ccccc2)cs1 500301092 FKJVFQWUTBORMC-UHFFFAOYSA-N 438.549 6.143 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C 501629553 PZGDUWRQHZJIAL-INIZCTEOSA-N 435.549 5.035 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 502101503 RITIOZAQTGIHAM-IRXDYDNUSA-N 449.366 5.865 30 20 IKED N#C[C@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)c1cccc(C(F)(F)F)c1 505923621 WPDXTIRMMQCRNS-KRWDZBQOSA-N 435.858 5.406 30 20 IKED C=CCOc1cccc(NC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)c1 510952850 OYDBHROHOWRZNO-UHFFFAOYSA-N 434.458 5.140 30 20 IKED CN(C(=O)c1cc(C#N)ccc1Cl)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 512918251 YKBMJSLLOLUWNU-UHFFFAOYSA-N 431.801 5.694 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccccc1C(F)(F)F 515282819 RUAHDZMCMNCZJD-UHFFFAOYSA-N 427.382 5.090 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1csc(-c2cccs2)n1 518666883 MDFRZWFLDPDUIG-AWEZNQCLSA-N 445.660 6.138 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(Cc1ccc2ccccc2c1)C1CC1 518749112 OMILPIOAHVEXFB-SFHVURJKSA-N 443.572 5.364 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1CN1CCCC[C@H]1C 520195999 UDQGIJHQXTXLNL-UXHICEINSA-N 436.625 5.777 30 20 IKED N#CCCn1cc(/C=C/c2nc(-c3cc(Br)cs3)no2)c2ccccc21 520302269 QSSWYEBQWXOKGW-VOTSOKGWSA-N 425.311 5.599 30 20 IKED C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 521712123 KHGKNWJXBRMJBC-NSHDSACASA-N 434.892 5.411 30 20 IKED C=CCn1c(SCC(=O)N(C)c2cccc(SC)c2)nnc1-c1ccc(Cl)cc1 522374576 DVFDQTRJFPCFFQ-UHFFFAOYSA-N 445.013 5.262 30 20 IKED C[C@H](CC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1cccc(C(F)(F)F)c1 523088497 MMDYAKLOPSKVJN-YMTQGWHGSA-N 430.470 5.577 30 20 IKED COc1ccc(Cn2c(S[C@@H](C#N)C3CCCCC3)nc3ccccc3c2=O)cc1OC 523714688 OGFMPIGOXCBMKB-QHCPKHFHSA-N 449.576 5.027 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(-c2nc(CC(=O)NC3CCCCC3)no2)c1 523880541 JTPFSNGFQCQYAT-UHFFFAOYSA-N 436.899 5.045 30 20 IKED N#Cc1c(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)nc2n1CCS2 525049750 AKXFPYVGEIWKAH-UHFFFAOYSA-N 431.304 5.212 30 20 IKED N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1ccc(Cl)c(Cl)c1 525458545 LFJAZXRRMNJOHX-IOASZLSFSA-N 429.225 5.377 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2cccc(Oc3cccnn3)c2)cc1Cl 534152955 WWGXNKWAAFNSCI-UHFFFAOYSA-N 442.862 5.839 30 20 IKED FC(F)(F)c1cc([C@@H](NCc2nnsc2Cl)C(F)(F)F)cc(C(F)(F)F)c1 541194728 UGMFHBDJPLLOTQ-SECBINFHSA-N 443.722 5.622 30 20 IKED N#Cc1cccc(Oc2ccc(NS(=O)(=O)Cc3cc(-c4ccc(F)cc4)no3)cc2)c1 543164644 SIQVHXFRTDYJEL-UHFFFAOYSA-N 449.463 5.087 30 20 IKED O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CCSC1 544012670 HSGGOKDCPCEHJS-RDDDGLTNSA-N 425.316 5.197 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3c(-c4ccccc4)nc4ccccn34)cc2)nc1 546702287 QWOBOWUOGRJTBM-UHFFFAOYSA-N 431.455 5.313 30 20 IKED C=CCN(C(=O)c1coc(COC)n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 547865336 GQMHQMCETKRWOF-UHFFFAOYSA-N 431.517 5.444 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2CCOc3ccc(F)cc32)cc1 548696558 HPBIBTWRTNBBHJ-QHCPKHFHSA-N 433.458 5.072 30 20 IKED N#Cc1cccc(-c2nnc(N3CC[C@@H](c4cccc(F)c4)C3)n2Cc2cccs2)c1 549582044 NAOQMOAEYQZEGT-HXUWFJFHSA-N 429.524 5.060 30 20 IKED CC(C)Cn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N1CCC(C#N)CC1 549839779 DLUOWQJXCFDYCP-UHFFFAOYSA-N 426.524 5.149 30 20 IKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 550249042 DWCCXCXDWLFMBV-HNNXBMFYSA-N 425.410 5.673 30 20 IKED N#Cc1ccc(NC2CC2)c(NC(=O)CCc2nc3cc(Br)ccc3s2)c1 552585952 QQBWRPUDPRSNSV-UHFFFAOYSA-N 441.354 5.076 30 20 IKED COCCCOc1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1OC 553235930 GVCTVSQYQJUBOX-UHFFFAOYSA-N 432.476 5.027 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 558337965 BRYNCBFPJOBDMO-WMZOPIPTSA-N 447.526 6.369 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H]1Cc1cccc(F)c1 563781172 ZZQBLYCLBDIMEK-HJOGWXRNSA-N 432.543 5.060 30 20 IKED Cc1nnc(SCc2c(C(=O)Nc3scc(C)c3C#N)oc3ccccc23)s1 564190340 LTRKIYGIZBXXKV-UHFFFAOYSA-N 426.548 5.379 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3ccc4nc(-c5ccccc5)oc4c3)CC2)c(F)c1 570950988 PZRYMVHTBKRFIV-UHFFFAOYSA-N 441.462 5.189 30 20 IKED C[C@@H](Cc1nnc(SCC(=O)N(CCC#N)c2cccc(Cl)c2)o1)c1ccccc1 594638672 DNJAVROKAFUVIN-INIZCTEOSA-N 440.956 5.108 30 20 IKED CC(C)c1ccccc1N(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1nc2ccccc2s1 600847113 HYCGTLWOEYWRKQ-GOSISDBHSA-N 441.556 6.424 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3SCc3cccs3)cn2)c1 603623822 NURFSXIXMBDGCI-UHFFFAOYSA-N 443.553 6.352 30 20 IKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cccc(OCCCC#N)c3)c12 603972132 ZOYUFQRHJJFQTO-UHFFFAOYSA-N 430.439 5.272 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(NC(=O)C4CC4)cc3)cc2Cl)cc1 604027032 XGIHQPPMCSEEIA-UHFFFAOYSA-N 431.879 5.605 30 20 IKED N#Cc1cnc2c(F)ccc(Cl)c2c1N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604270803 SBELXNYLTJOGQM-AOOOYVTPSA-N 425.735 5.466 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c1 606416059 JVQBYVHJILQLQH-QFIPXVFZSA-N 442.490 5.011 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)cc1C(F)(F)F 608915757 APKYGYVHCIDOQC-UHFFFAOYSA-N 440.263 5.782 30 20 IKED N#Cc1ccc(Oc2ccc(N[C@H](C(=O)NC3CC3)c3ccc(F)cc3)cc2Cl)cc1 609041229 GJDVYCPZCGIDBA-QHCPKHFHSA-N 435.886 5.575 30 20 IKED CC(C)Oc1ccc(-c2nc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cs2)cc1 609185862 RJYZBRNKUWRYPR-UHFFFAOYSA-N 447.560 5.153 30 20 IKED C[C@@H](Oc1ccccc1NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 609683792 NORGTOMEVKDKPG-OAQYLSRUSA-N 440.547 5.048 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCS[C@H](c4ccccc4)C3)c2)cc1 609807536 YVULJKJTXQKZOF-VWLOTQADSA-N 443.572 5.654 30 20 IKED Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 609987254 CDFCVEMYNQLJHO-UHFFFAOYSA-N 438.531 5.535 30 20 IKED C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 610016579 JUIUKHIYDCGUDT-GOSISDBHSA-N 429.495 5.622 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 610605464 IEMARTUGLOQUIP-GASCZTMLSA-N 444.400 5.522 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(C[C@@H](C)c2ccccc2)o1 615502902 HPZXBFAUBKJJNU-SJORKVTESA-N 427.595 5.173 30 20 IKED C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2cccs2)C1 619854611 HUKWZYHXRDEASF-HXUWFJFHSA-N 432.380 5.492 30 20 IKED O=C(NC[C@H]1CCCC[C@H]1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 673200880 KGXFIJAVGRWNST-NOOOWODRSA-N 428.339 5.127 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1c(F)cccc1Br 674076532 QVSGQXOQLLHRBM-HTQZYQBOSA-N 436.165 5.228 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cc2c(C(F)(F)F)cc(O)nc2o1 678215336 LKAIBKKVKOGOJM-LBPRGKRZSA-N 436.283 5.115 30 20 IKED CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=S)Nc1ccc(C#N)c(Cl)c1 726475640 CBAQIYSYDDNBLC-UHFFFAOYSA-N 444.000 6.687 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc3ccccc3o2)[n+]2ccc(CC)cc2)c1 726572669 IESVITBTBPWJKV-UHFFFAOYSA-O 425.533 5.587 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H](c3ccccc3)CC2)cc1 727624136 QTLPMBYTBHRNHP-NVQXNPDNSA-N 437.543 5.077 30 20 IKED CC1C/C(=C\c2ccc(O[C@H](C)C#N)cc2)C(=O)/C(=C/c2ccc(O[C@H](C)C#N)cc2)C1 727744837 MKNSCICKDMKUIU-PQPVSGPISA-N 426.516 5.734 30 20 IKED C#Cc1cccc(N(Cc2ccco2)C(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)c1 728182278 HAHXIIOYZZXWKM-UHFFFAOYSA-N 445.906 5.520 30 20 IKED C#Cc1cccc(N(CC)C(=O)Cc2csc(-c3cccc(Br)c3)n2)c1 728480871 SGAWEPSREWEFDV-UHFFFAOYSA-N 425.351 5.150 30 20 IKED Cc1cc(Br)ccc1SCC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 730418105 YZDWPCKBTRDCIW-CYBMUJFWSA-N 435.343 5.475 30 20 IKED CC[C@H](C)c1ccccc1N1C[C@H](C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)CC1=O 730420769 FYQBGFDWRIDKJH-DAYGRLMNSA-N 435.524 5.178 30 20 IKED Cc1nc2ccccc2c(C)c1C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731063366 MRULOAZFIFNMOS-OAHLLOKOSA-N 433.533 5.041 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)/C=C/c1ccc(C(C)(C)C)cc1 731070468 LYIYOGRCVVFWSE-BJRSVTDJSA-N 436.577 5.573 30 20 IKED COc1c(Cl)cc(Cl)cc1C=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1 733080020 PKXBYYQOAFUXCG-UHFFFAOYSA-N 442.228 5.319 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](c2ccccc2)C2CCCCC2)ccc1OC 733642126 BXIJYTYDJIFVDW-RDGATRHJSA-N 435.568 5.497 30 20 IKED COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3c[nH]c4ccc(OC)cc34)c2)cc1 734308344 YYUQHNYRSKGTHD-AWNIVKPZSA-N 426.472 5.334 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(CN3CCOC3=O)cc2)c1 735002027 ZOCQBFAQNIFYNA-UHFFFAOYSA-N 447.878 5.208 30 20 IKED N#Cc1ccc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(C(F)(F)F)c1 737398866 UMJVLLNCBFSDBV-UHFFFAOYSA-N 429.364 5.045 30 20 IKED CS(=O)(=O)c1cccc(Oc2ccc(N=Cc3cc(Cl)cc(Cl)c3O)cc2)c1 737440040 AHWZQMIESQPPMA-UHFFFAOYSA-N 436.316 5.645 30 20 IKED C=CCOc1c(Br)cc(/C=C/C(=O)c2c(Cl)nc3ccccn23)cc1OC 737446018 LKDRPXZUBSLFJP-BQYQJAHWSA-N 447.716 5.220 30 20 IKED Cc1nc(COc2ccccc2C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cs1 739594669 MXSJOHHJONFAHH-UHFFFAOYSA-N 445.569 5.561 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)COc1cccc(C#N)c1 741205445 YURKDUCEHDQJKZ-UHFFFAOYSA-N 442.494 5.621 30 20 IKED Cc1c(Cl)cccc1N=C1SCCN1C(=O)c1ccc(CN(C)C(=O)C(C)C)cc1 741516279 JANOWJHTLSELGA-UHFFFAOYSA-N 444.000 5.140 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)C1CCC(c2ccccc2)CC1 744027093 IFZGOJLKHLMUFH-LBXVMSDZSA-N 428.504 5.623 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1 744028567 KDRBEWDGURVEGT-KRWDZBQOSA-N 425.271 5.747 30 20 IKED C[C@@H](OC(=O)c1ccccc1SCC#N)c1ccc(N(C)Cc2ccccn2)c(F)c1 744204362 RZCGKMFOMFPDKD-QGZVFWFLSA-N 435.524 5.391 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)cc2)C[C@@H](C)O1 747391758 WALPWEOOHQNYGW-BGYRXZFFSA-N 441.531 5.003 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1 747406531 FGNANLQYNDDYFD-OAQYLSRUSA-N 446.450 5.084 30 20 IKED COc1ccccc1C1(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1 749344543 WEJZUHZPRBFMMB-OAHLLOKOSA-N 443.355 6.034 30 20 IKED CC[C@H](C)Oc1cc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)ccc1OC 749444204 NZYPADFCTWRBNY-INIZCTEOSA-N 447.560 5.502 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2cccc(Cl)c2)cc1 750395293 MNPWMROFJFKCEK-HXUWFJFHSA-N 434.879 5.492 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)cc1C#N 752193949 LHBVNKVKLWKIFM-UHFFFAOYSA-N 448.426 5.316 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(Br)n1 755603303 FGTZLXNZWSVJJZ-UHFFFAOYSA-N 436.309 5.050 30 20 IKED CCOC(=O)c1sc([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nc1C 757197111 GUEMRFMDVWEOAC-JXFKEZNVSA-N 448.548 5.166 30 20 IKED Cc1ccc(N2C[C@@H](C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)CCC2=O)cc1C 760970578 UMTJIRRTKGKCCD-FPOVZHCZSA-N 429.545 5.046 30 20 IKED CC1(C)CCCN(Cn2nc(-c3cccnc3)n(-c3ccc(Cl)cc3)c2=S)[C@H]1C#N 766110108 CTRIKTZEBZIQEA-IBGZPJMESA-N 438.988 5.090 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 766623040 MVLQHITVDUXECH-QMTHXVAHSA-N 440.124 5.207 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 772540657 LDTHFKQPNIYMLY-NSHDSACASA-N 429.345 5.284 30 20 IKED O=C1C=CC=N/C1=C(/O)NCCN[C@@H](CC1CCCC1)c1ccc(Oc2ccccc2)cc1 772985037 PZRQDBSCUFOPDR-RJCXMYEVSA-N 445.563 5.216 30 20 IKED Cc1ccccc1-c1nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)s1 773978385 BTFQKEUNVOIDFD-HXUWFJFHSA-N 425.513 5.541 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N(C)CCOc1ccc(OCc2ccccc2)cc1 780667703 LMQVKHYTSRJSMZ-HXUWFJFHSA-N 445.519 5.099 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cccnc2-c2csc(C)c2)ccc1OC 782892248 ASQJXKFHOBIZHQ-SFHVURJKSA-N 436.537 5.130 30 20 IKED C[C@@H]1[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CCN1C(=O)OC(C)(C)C 786448092 ATGXPWOMQXGUEC-COXVUDFISA-N 445.972 5.285 30 20 IKED N#Cc1ccc(-c2nnc(CN[C@H](c3c[nH]c4ccccc34)C(Cl)(Cl)Cl)o2)cc1 796472229 VZAHGGHCRDDZKW-GOSISDBHSA-N 446.725 5.291 30 20 IKED N#CC[C@@H](CC(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1ccccc1 796581942 KZWOEXKETDVPSB-KRWDZBQOSA-N 443.890 5.167 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)n1ccc2ccccc2c1=O 805857886 JFBBXBWTOPSXJS-BLLLJJGKSA-N 441.434 5.067 30 20 IKED Cc1nn(C)c2sc(C(=O)/C=C/c3cnn(Cc4ccc(C(F)(F)F)cc4)c3)cc12 806577133 NKOBFZDXHHHLBB-VMPITWQZSA-N 430.455 5.103 30 20 IKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cccnc1C(F)(F)F 809329789 IDSGEALWTQJZRI-ARJAWSKDSA-N 428.254 5.790 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(NC(=O)C3CCC3)c2)cc1 915351716 BNECSZNHCBJDJF-VWLOTQADSA-N 438.531 5.402 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2c(C)nn(-c3ccc(F)cc3F)c2C)S1 915983688 RXBJJEMBKSXKOK-RGVLZGJSSA-N 438.503 5.276 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C/C(=O)c1ccc(CC(=O)O)cc1 915989661 BIHLMGMJJZWIPQ-ZHACJKMWSA-N 429.303 5.070 30 20 IKED CC(C)c1cccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1 916847088 LEFYJZUVKWEWHM-KSSFIOAISA-N 435.549 5.043 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1 916882302 ALNLZNBFOOJABX-MRXNPFEDSA-N 430.316 5.387 30 20 IKED Cc1ccc(Sc2ccc(C=Nn3c(C)nc4sccc4c3=O)cc2[N+](=O)[O-])cc1 917580071 OHEHTXIDIKPQBJ-UHFFFAOYSA-N 436.518 5.016 30 20 IKED COc1ccc(/C=C\C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)c(OC)c1OC 917605628 YOSCLHYQCKFJAA-NTMALXAHSA-N 425.462 5.245 30 20 IKED CSCc1c(C(=O)OCC(=O)N(CCC#N)c2cccc(C)c2C)oc2ccccc12 918819254 MFYLMEPPELVTDU-UHFFFAOYSA-N 436.533 5.016 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 920016505 CMQUOPPRRVPINZ-UHFFFAOYSA-N 432.392 5.036 30 20 IKED C/C=C(/C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1791228395 NMPUHWJTHLNQJE-DVZOWYKESA-N 431.536 5.059 30 20 IKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1 1812807674 PRLIXYYUQVJRFE-IRLDBZIGSA-N 449.586 5.295 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2oc3ccccc3c2C)n[nH]1 1818569286 IVTOSZJTJMALJE-HXUWFJFHSA-N 448.567 5.763 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@]2(F)CCCC=C2F)[nH]n1 1819557303 FXJBUQKIIBDGEM-GAJHUEQPSA-N 434.531 5.140 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)[nH]n1 1821920976 BBEWJLLEFQWSEA-LIRRHRJNSA-N 440.931 5.327 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](CCC)n2cccc2)CC1 1827626983 WXZXGHYGGAHJNA-LOSJGSFVSA-N 439.644 5.217 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1 1828461319 YOEXUCIWIHETRU-OKTSJHIDSA-N 428.661 5.425 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)ccc2Cl)CC1 1828827591 PWUUQVCULFQQRO-REWPJTCUSA-N 446.994 5.481 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3sccc3[nH]2)CC1 1828827974 ARZAELGACYWDGD-KNQAVFIVSA-N 439.625 5.231 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccs2)CC1 1828903644 CIGFURZHJFJCMU-OAQYLSRUSA-N 444.717 5.033 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2cccc3ccccc23)CC1 1831369323 ITGSJFSZBQQAAW-SQJMNOBHSA-N 448.607 5.051 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2cccc(Cl)c2)cc1 10830198 VSJCVPKCGLXAJV-UHFFFAOYSA-O 430.380 5.894 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2c(C)cccc2C)cc1 11153354 MDSAUKXWYFCHKH-UHFFFAOYSA-O 445.652 6.502 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccccc2C)cc1 11167578 YZRBGGBCLVEIRD-UHFFFAOYSA-O 425.524 5.564 30 20 IKED C=CCN(C(=O)Cc1csc(-c2ccccc2Cl)n1)c1nc2c(s1)CCCC2 19295482 LCECKVGQJKUYED-UHFFFAOYSA-N 429.998 5.561 30 20 IKED C=CCn1c(SCC(=O)N[C@H](CC)c2ccc(Cl)cc2)nnc1-c1ccccc1 21754342 UWJNLAUAOCNAOW-LJQANCHMSA-N 426.973 5.144 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2cccc(CC)c2)cc1 22732434 AWMOZVHABAFISF-UHFFFAOYSA-O 448.568 5.366 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)CCC)nc2scc(-c3ccccc3)c2c1=O 23404490 MYYWAFALUGCQRX-CVEARBPZSA-N 441.622 5.096 30 20 IKED C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 24718141 VTFOLBIUXYPULH-GFCCVEGCSA-N 442.541 5.197 30 20 IKED Cc1ccccc1NC(=O)Cc1nc(CSc2nc3c(cc2C#N)CCCC3)cs1 96994976 FAMHYJYMQNQDAV-UHFFFAOYSA-N 434.590 5.071 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1ccc(C)c(C)c1 255931103 UCUCIQZMNQSNOW-UHFFFAOYSA-N 427.957 5.288 30 20 IKED CN(Cc1ccc(Cl)cc1)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 255941394 QUYVKDOSGWGOBB-UHFFFAOYSA-N 449.963 5.215 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(NC(=O)NCc2ccncc2)c1 303146624 FKKOXKQUNOWQKZ-UHFFFAOYSA-N 447.498 5.194 30 20 IKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3SC[C@H](C)C#N)C2)c1 303314749 RXXCKHFRYLXBCU-RTBURBONSA-N 436.581 5.129 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H](C)O[C@H](c2ccccc2)C1 409811468 LLGNZYSLQIXMNH-DFBJGRDBSA-N 427.504 5.653 30 20 IKED COc1cc(OC)c(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1Br 429652370 MEWMNLFIWGDXAD-UHFFFAOYSA-N 446.345 5.028 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)[C@@H]1OCCc2sccc21 432866982 NMDPWOQOEDJNAY-XDHUDOTRSA-N 447.560 5.331 30 20 IKED COc1ccc(-c2ncc(C(=O)Nc3ccccc3S[C@H](C)CC#N)s2)cc1OC 435856576 OFJNKVCEURSVDQ-CQSZACIVSA-N 439.562 5.474 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)c1ccc(C(=O)C(C)C)cc1 438813121 RJYKWQKDBNYDLU-UHFFFAOYSA-N 434.517 5.299 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1cccc(CO[C@@H]2CCC[C@H](C)C2)c1 439572786 QMUJTJIOEKDZDR-AWRGLXIESA-N 449.595 5.538 30 20 IKED C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(C#N)cc2Cl)cc1 442105329 XJUNBJWRHOAOCL-HNNXBMFYSA-N 435.936 5.642 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccncc3Oc3ccccc3)n2)cc1 442506821 JLQYDBLIQHLIEU-HXUWFJFHSA-N 427.485 5.496 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H](Oc2ccccc2Cl)C1 443637791 CAOPANQBJNLKIS-QZTJIDSGSA-N 444.000 5.074 30 20 IKED C=CCN(C(=O)[C@H]1CCCc2sc(C)nc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 447202295 XPSYAYYHUVQQDS-INIZCTEOSA-N 440.550 5.122 30 20 IKED N#CCCn1cc(C(=O)CSc2nnc(CCCc3ccccc3)o2)c2ccccc21 463221380 VDSIKOJUPNBUSV-UHFFFAOYSA-N 430.533 5.088 30 20 IKED CCO[C@H](C)c1ncc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1 463397522 ZUSWFCHOCWEGSV-KDOFPFPSSA-N 425.941 5.802 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 464429214 ORAFUHSSEFNEFR-GFCCVEGCSA-N 440.208 5.861 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nc(O)c(C)c(-c3ccccc3)n2)c1 467204945 FLUHPGORUMZMBR-LJQANCHMSA-N 446.576 5.202 30 20 IKED C[C@H](O)C[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 469512689 VEOOKVXYMVYKQT-XZOYJPPVSA-N 447.966 5.672 30 20 IKED COC(=O)c1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(C)cc1C 472960841 ZXQDWKIMRFMCCA-UHFFFAOYSA-N 430.529 5.506 30 20 IKED O=C1CCC(CC(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CC1 475841943 XZECFNBVSHXDII-HNNXBMFYSA-N 449.313 5.593 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 476095910 PYWZYVCUWDCTQO-UHFFFAOYSA-N 435.593 5.597 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccncc3Br)cc2Cl)cc1 477066323 KDTUWSAOHMVWPM-UHFFFAOYSA-N 428.673 5.414 30 20 IKED C[C@H]1CCCCN1CCC1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 478792220 ZYSIZOVOUWHHIA-UXHICEINSA-N 428.646 5.447 30 20 IKED C=C(C)[C@H](NC(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2)c1ccc(F)c(F)c1 480313612 IKBRTTYMAPVKCW-NRFANRHFSA-N 443.494 5.175 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCCOc3c(F)cccc32)cc1 481988578 MCCILAIYQQOTPQ-JOCHJYFZSA-N 432.520 5.633 30 20 IKED CCc1c(NC(=O)c2cc(F)c(F)c(F)c2F)cnn1-c1cccc(C(F)(F)F)c1 482717402 QJFRWBFIJRIDPK-UHFFFAOYSA-N 431.311 5.262 30 20 IKED Cc1ccccc1-c1cc(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)c2cnn(C(C)C)c2n1 483205616 AHZAEBKKQMWOIQ-FQEVSTJZSA-N 446.514 5.421 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)c1ccc(OC(F)(F)F)cc1 484881795 ZJPZABVWBUEZDV-GJZGRUSLSA-N 437.487 5.269 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2nc3ccc(Cl)cc3o2)n(Cc2ccco2)c1C 486838406 IGGJITKODPBANM-UHFFFAOYSA-N 440.912 5.143 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccccc1C(=O)OC(C)(C)C 488157391 CPKBFMHGZNAVDI-MRXNPFEDSA-N 426.538 5.054 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H]4CCC[C@@H]43)s2)c(C(F)(F)F)c1 496350314 URQINDLKDXAYKS-KSSFIOAISA-N 434.487 5.421 30 20 IKED C=CCN(CCc1ccco1)C(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 497508458 IFJNGCCPBUAKDD-UHFFFAOYSA-N 445.441 5.426 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)c1 498894167 OBFJNMOFWUSHTB-SANMLTNESA-N 437.474 5.191 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)o1 499281700 CRLXBHFQQCBSBP-UHFFFAOYSA-N 447.969 5.311 30 20 IKED CCCCN(C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)[C@@H](C)c1ccccc1 501507489 ACSAEJCYCVGCEL-KRWDZBQOSA-N 432.549 5.010 30 20 IKED CCN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 501955219 KQWQOFNLUXMIBT-REWPJTCUSA-N 443.547 5.028 30 20 IKED N#Cc1cn(CCOc2ccc(Cl)cc2Cl)c2ccc(Br)cc2c1=O 502836072 NAKWKMGMNOVPSS-UHFFFAOYSA-N 438.108 5.021 30 20 IKED Cc1cc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c2cc(Br)ccc2n1 504014085 UDYXBDWMTPWJSF-UHFFFAOYSA-N 432.321 5.107 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(CCC(F)(F)F)cc3)n2)cc1 504561861 WCWDFSDLPHIAQY-SFHVURJKSA-N 425.435 5.667 30 20 IKED CCn1c(SCC(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)nnc1-c1ccccc1C 505821759 QJMIKABPSBBRPT-NRFANRHFSA-N 447.608 5.044 30 20 IKED COc1ccc([C@@H]2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)cc1 506642634 LREMVOANXLNGIY-JOCHJYFZSA-N 441.531 5.362 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3sccc3Cl)s2)c(C(F)(F)F)c1 507661724 WTGRIFRLXDNAEO-UHFFFAOYSA-N 427.860 5.592 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC3(Cc4cccc(F)c4)CCOCC3)cc2)cc1 508624642 ZWVPDDQKSPTJBH-UHFFFAOYSA-N 444.506 5.206 30 20 IKED C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(C(F)(F)F)CC1 508825817 GIQXGGMCJQQNQU-UHFFFAOYSA-N 433.503 5.342 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 510022394 CWBDXYRARZKQBI-ILBGXUMGSA-N 445.950 6.373 30 20 IKED C[C@@H](Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)C(=O)Nc1cccc(C#N)c1 512217783 ICLNJSVTVFLBAK-CQSZACIVSA-N 426.398 5.203 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H](n3ncc4ccccc43)C2)cc1F 512836029 XKTQLOKQWXZUSA-FQEVSTJZSA-N 441.466 5.318 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)cc12 515597559 NHKFGMQIYHIMEB-MRXNPFEDSA-N 432.892 5.680 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 518130265 MXUMQJIHGNIAPE-CYBMUJFWSA-N 443.985 5.250 30 20 IKED CCN(CC)[C@@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccccc1Cl 518441907 QTXBTJMSQWEWBA-QHCPKHFHSA-N 448.954 5.212 30 20 IKED Cc1ccc([C@H]2CCCN2C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1C 518789498 FEPYPNXINPZMFB-JOCHJYFZSA-N 444.535 5.003 30 20 IKED C=C(C)CN1CCC(NC(=O)c2ccccc2Oc2cccc(Br)c2)CC1 519270288 FOGJUSHTBLCFSW-UHFFFAOYSA-N 429.358 5.012 30 20 IKED CC(C)N(C)c1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 521899576 CCZQHAJSRWTANA-UHFFFAOYSA-N 430.527 5.776 30 20 IKED Cc1ccc(OC2CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)cc1 522652854 GRRAWTUJRQORHR-UHFFFAOYSA-N 427.504 5.734 30 20 IKED N#Cc1cccc(OC2CCN(Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)CC2)c1 534472033 FELOEKGUXGAEGD-UHFFFAOYSA-N 427.426 5.275 30 20 IKED N#Cc1c(NC(=O)CCN(Cc2cccc(-c3cccnc3)c2)C2CC2)sc2c1CCC2 534537316 HZCVGIUUVKDLBT-UHFFFAOYSA-N 442.588 5.164 30 20 IKED CC(C)Cn1ncc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1C(F)F 535657117 CPCKVCUKFWHNKR-UHFFFAOYSA-N 444.869 6.046 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccccc1)[C@@H](C)CCO 536813673 CWMTUERLMQJZFU-FQEVSTJZSA-N 429.520 5.464 30 20 IKED C[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1cccc(NC(=O)Cc2ccccc2F)c1 538537635 QVTDRFVYKBTSBW-GOSISDBHSA-N 441.506 5.053 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)N[C@H](C)c1cccc(C#N)c1 539509603 HJCBUJHVOBUEJZ-KGLIPLIRSA-N 426.383 6.165 30 20 IKED Cc1cc(NC(=O)N(C)[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)nn1CCC#N 539717383 GLPZADZGFHNHEL-NRFANRHFSA-N 425.895 5.151 30 20 IKED CC(C)(C)OC(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 540021563 IGQYRNYVVGBLNX-IBGZPJMESA-N 429.501 5.127 30 20 IKED C=CCN(C(=O)c1ccc(NC(C)=O)cn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 542009940 VQISNRRAQZDALH-UHFFFAOYSA-N 447.347 5.303 30 20 IKED C=C(C)Cn1c(-c2sccc2C)nnc1N1CCC(C(=O)c2cc(F)ccc2F)CC1 549297122 OAYHLUKHAIWEIU-UHFFFAOYSA-N 442.535 5.269 30 20 IKED Cc1ccc(-c2ccnn2C)cc1NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 557664492 LLLHCGCVRNSABT-UHFFFAOYSA-N 447.970 5.166 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)c(F)c1 558227368 USKAUQDNKZBKIM-UHFFFAOYSA-N 441.812 5.445 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)NCc2ccc(-c3ccc(Cl)cc3)cc2F)CC1 558654008 IJNBHCFDYRPKAC-UHFFFAOYSA-N 448.929 5.308 30 20 IKED C=CCn1c(S[C@H](c2ccc(Cl)cc2)C2CCOCC2)nnc1-c1ccncc1 559191246 DELLNGVPKQNERR-HXUWFJFHSA-N 426.973 5.440 30 20 IKED N#Cc1cc(Oc2ccc(NCc3ncc(-c4ccc(Br)cc4)[nH]3)cc2)ccn1 568699089 DINWIYAAXAGFMJ-UHFFFAOYSA-N 446.308 5.510 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 576538848 XPKZACAZQYUTRO-FXAWDEMLSA-N 448.567 5.175 30 20 IKED C[C@H]1CCC[C@H](OCCCCCC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)C1 581267556 KOMIHGJBSUKDBT-UGKGYDQZSA-N 430.564 5.223 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 588001955 OEOYNXXTMKSZPI-UHFFFAOYSA-N 428.536 5.133 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(Br)cnc1OCC1CC1 588925369 GUNPXCPELXRCAD-CYBMUJFWSA-N 446.370 5.137 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590329215 RPPUQSAQDKSMHY-MYJAWHEDSA-N 440.281 5.876 30 20 IKED CC1(C)CN(C(=O)c2cc3ccccc3n2CC#N)C[C@@H](c2cccc(C(F)(F)F)c2)O1 590495309 QCQCUNNLYIDTOO-NRFANRHFSA-N 441.453 5.176 30 20 IKED COc1ccccc1OCc1ccc(C(=O)N(Cc2ccco2)c2ccccc2C#N)o1 603739376 VZXWYLQPWXAONX-UHFFFAOYSA-N 428.444 5.179 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1 603755435 UMZKJKGFGHNAPB-JOCHJYFZSA-N 435.321 5.099 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCCNC(=O)c3ccccc3)cc2Cl)cc1 604027020 UZMDBNVJAPYBEO-UHFFFAOYSA-N 433.895 5.153 30 20 IKED CN(CCCOc1ccc(Cl)cc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 604083573 MKWLLSKUUKCBJY-UHFFFAOYSA-N 440.956 5.192 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(-c3nc(C)c(C)o3)cc2)cc1C 604450899 KVUZCMRHQXWPIK-UHFFFAOYSA-N 439.519 5.605 30 20 IKED C=CCn1c(SCC(=O)NC[C@@H](C)c2cccc(C)c2)nnc1-c1ccc(Cl)cc1 607325656 JRQSYWCJZGVPEW-QGZVFWFLSA-N 441.000 5.105 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(NC(=O)C2CC2)c1 609061534 DGVWZXPUKQQGEV-UHFFFAOYSA-N 425.488 5.047 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccccc3SCc3ccco3)c2)cc1 609176643 QNNSZVZPNKJPNW-UHFFFAOYSA-N 426.497 6.488 30 20 IKED COc1cc(C)c([C@@H](C)NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1OC 609297975 XPNPPJIFPNFSSS-MRXNPFEDSA-N 434.467 5.306 30 20 IKED CC(=O)Nc1cccc2c1CCCN2C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 609298248 HZVAYSPVOHBEKK-UHFFFAOYSA-N 429.451 5.041 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C 609437248 GIACRJUJUREANO-MGPUTAFESA-N 427.545 5.062 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)N[C@@H](C)c1ccc(C#N)cc1 610163449 OIDRJRWUFIUMJC-INIZCTEOSA-N 427.483 5.442 30 20 IKED COC(=O)C(C)(C)[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1 610820495 UYQSQMDIMDUQAH-UZLBHIALSA-N 425.554 5.143 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c1C(F)F 610893327 WLBGFEIDDWMGHQ-UHFFFAOYSA-N 446.445 5.704 30 20 IKED Cc1c(NCc2cccc(OCc3cccc(C#N)c3)c2)cccc1C(=O)N1CCCC1 610910554 JXYWEGBLRWNUHO-UHFFFAOYSA-N 425.532 5.294 30 20 IKED N#C[C@H](C(=O)c1nn(-c2ccccc2F)c2c1CCC2)c1nc(-c2ccccc2)cs1 613392414 PWFGQQALCZDZLU-QGZVFWFLSA-N 428.492 5.114 30 20 IKED Cc1ccc(-c2nc(Cc3noc([C@H]4CCCN4c4ccc(C#N)cc4)n3)cs2)cc1 615131526 OTSSQLFXFSXMSP-OAQYLSRUSA-N 427.533 5.306 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 615969738 NREGGZQQOPNRGA-JOCHJYFZSA-N 430.523 5.046 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)N[C@@H]3CCc4cc(C#N)ccc43)s2)cc1 618847594 JATRWUDSQWQINR-VGOFRKELSA-N 430.577 5.689 30 20 IKED COc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cs2)cc1OC 642281564 JWMXTPURFUUOQS-MRXNPFEDSA-N 447.541 5.441 30 20 IKED O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674624361 YRLXDRSGYYBIIA-MJBXVCDLSA-N 446.338 5.048 30 20 IKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(C)sc2C)c1 726570742 JUOVTYWCQVSNMS-UHFFFAOYSA-O 441.001 5.809 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C/c3csc(-c4ccccc4)n3)SC2=S)cc1Cl 726626205 AYLPAZCDGPCGPJ-IUXPMGMMSA-N 439.974 5.741 30 20 IKED Cc1nc2sccc2c(=O)n1N=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 727062187 VNGSETONXWUELD-UHFFFAOYSA-N 444.343 5.534 30 20 IKED COc1cccc(NC(=O)/C(=C/c2csc(-c3cccs3)n2)C(=O)c2ccccc2)c1 728440012 REMHOLHWDZQXHL-XSFVSMFZSA-N 446.553 5.785 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)cc1Cl 730686547 HGROKSYHCWCMSR-XHDPSFHLSA-N 439.726 5.182 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2cc(F)ccc2s1 731062583 FEPHOFUYZSBUKM-ZDUSSCGKSA-N 428.510 5.088 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)c1nc(-c2c(F)cccc2F)cs1 731290980 RJHDMDYWESTALL-GBESFXJTSA-N 430.479 6.221 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)ccc1OC 733230072 KUDFQWOCUHFXBU-KSSFIOAISA-N 435.351 5.178 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)ccc1OC 733646756 PHPHCNSOMVMMAQ-RDGATRHJSA-N 447.510 5.104 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)C2(Cc3cccc(Cl)c3)CCCC2)ccc1OC 741563449 QQFASZHQHSLOIT-OAQYLSRUSA-N 440.971 5.449 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 741637959 BRDLCGAXHNTTBS-UHFFFAOYSA-N 427.435 5.115 30 20 IKED COc1ccc(Cl)cc1NCCC(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 744036050 WOUJTOVKGHADKK-QGZVFWFLSA-N 425.941 5.459 30 20 IKED C[C@@H](OC(=O)c1sccc1-c1ccc(F)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 744615353 XKUFIUVCMDBLBF-GFCCVEGCSA-N 440.521 5.160 30 20 IKED COc1ccccc1-c1nc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cs1 746779201 VJMWLXIZAADNPH-NRFANRHFSA-N 425.513 5.726 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)[C@]2(Cc3ccccc3)C[C@H]3CC[C@H]2C3)ccc1OC 747879368 SGEJAUXDASPYMS-XGKIYDHQSA-N 432.564 5.041 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)cc1C#N 752305498 OQHXWTWSPZZEAL-HXUWFJFHSA-N 428.439 5.164 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c1 752593299 OQJYTLQMHSJZLT-AWEZNQCLSA-N 425.357 5.200 30 20 IKED Cc1nc(/C=C/c2ccc3c(c2)ncn3C)sc1C(=O)/C=C/c1ccc2c(c1)ncn2C 761198492 IGLATZOEJOLRKN-JMQWPVDRSA-N 439.544 5.291 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 767761056 ANWHQTYETWNJIZ-DOTOQJQBSA-N 433.499 6.121 30 20 IKED C[C@H](CNC(=O)OC(C)(C)C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 769228481 SYAPLXQWXHINAV-DNVCBOLYSA-N 442.947 5.030 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)C1CCC(C(F)(F)F)CC1)c1ccc(Cl)cc1Cl 774258523 BMESPOPTJMFQNN-ZIULKBFBSA-N 435.273 5.248 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2scnc2Br)cc1Cl 775612539 DEONUHRENJTVRL-CQSZACIVSA-N 432.730 5.467 30 20 IKED N#CC1(COC(=O)c2ccc(-n3nc(SCc4ccccc4)sc3=S)cc2)CC1 775832615 CMHLKZMLLHSDDI-UHFFFAOYSA-N 439.587 5.416 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1 777116493 UTCFERRQWCZJIY-LJQANCHMSA-N 427.548 5.368 30 20 IKED CC(C)c1nc(C(=O)Nc2ccccc2O[C@H](C)C#N)nn1-c1c(Cl)cccc1Cl 780149510 JVBQXSPVCIMDDN-CYBMUJFWSA-N 444.322 5.241 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1csc(-c2cc(Br)cs2)n1 780154618 WVSFHKGSKDQBSO-JTQLQIEISA-N 434.340 5.177 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 780166155 JUKIIVZTQHKHKD-ZDUSSCGKSA-N 430.291 5.511 30 20 IKED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(Br)c(F)cc1O 786960091 UZUOXHSZJCSRRM-CYBMUJFWSA-N 446.320 5.050 30 20 IKED CC(=NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccc2c(c1)C(C)(C)C(=O)N2 794982453 WVVYHDSPKBLNQY-UHFFFAOYSA-N 439.441 5.228 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2C[C@@H](C)CC[C@@H]2c2ccccc2OC)c1=S 795673658 HLTVHWMODOBYFF-GHTZIAJQSA-N 435.597 5.101 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)sc2ccc(C#N)cc12 796807794 NSPHWPAZAIAYRZ-CQSZACIVSA-N 435.480 5.973 30 20 IKED C=CCn1c(SCC(=O)c2ccc(C(F)(F)F)nc2Cl)nnc1-c1ccoc1C 809949537 QSALEMNRQBBINT-UHFFFAOYSA-N 442.850 5.075 30 20 IKED C[C@H](OC(=O)c1c(F)cc(C(F)(F)F)cc1F)C(=O)Nc1ccccc1C(F)(F)F 811420110 PZYSUJGSWMECGQ-QMMMGPOBSA-N 441.274 5.186 30 20 IKED N#C[C@H](C(=O)CCSc1ccccc1Br)c1cc(C(F)(F)F)ccn1 813217141 BWDUFBFSAIWJDL-LBPRGKRZSA-N 429.261 5.222 30 20 IKED COc1cc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)ccc1NC(=O)OC(C)(C)C 814601787 VGVIXZCECPJPOA-IBGZPJMESA-N 438.528 5.599 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)C3(Cc4cccc(F)c4)CCOCC3)c2)s1 815670603 IBYANWQTEIYYIZ-UHFFFAOYSA-N 434.536 5.082 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Oc2ccc(C3CC3)cc2Cl)CC1 816217473 AZWSTWQVCLVGSC-UHFFFAOYSA-N 437.883 5.159 30 20 IKED COc1ccc(N(C(C)=O)c2nc(C=NNc3cccc(C(F)(F)F)c3)cs2)cc1 916259646 BJACCNDWSOLBGM-UHFFFAOYSA-N 434.443 5.301 30 20 IKED C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916932487 WOAPDRNBZTUXQK-JOYOIKCWSA-N 446.117 5.415 30 20 IKED N#C[C@H](C(=O)CCc1cccc(Br)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 916944284 ASQXERBELAPNBW-MRXNPFEDSA-N 440.124 5.036 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)/C(C)=C/c4ccc(OC)cc4)cc3)CCC2)C1 1791121157 OFBXWOIPUJRGMT-HTXNQAPBSA-N 430.548 5.199 30 20 IKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)c(F)c(Cl)c3)CCC2)cc1 1791579383 YCERAINJSBKTOE-LLVKDONJSA-N 441.355 5.199 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)cc(C)c2)[C@@H]1c1cccnc1 1802496087 OMTLFHYYGYRBHM-LADGPHEKSA-N 433.596 5.010 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(Cl)c(F)c3)CC2)C1 1805457789 UJQGWSSGRGDVQL-UHFFFAOYSA-N 432.967 5.092 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cccs2)n[nH]1 1815992257 GYRMJFQCQVIUMK-LJQANCHMSA-N 428.602 5.089 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](C)c2ccc(Cl)cc2)[nH]n1 1821917633 ZKEHMSQOFPVHAW-TWOQFEAHSA-N 428.964 5.071 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)sc3Cl)CC2)C1 1829451587 OVNTVBHDNFZXTR-KRWDZBQOSA-N 441.424 5.254 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C2CCCCC2)CC1 1830354844 ZYVSWQLZVNINBS-HGMGIVORSA-N 426.645 5.511 30 20 IKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)c(Cl)c2)CC1)C(F)(F)F 1831448883 MMRNQNCQZGHYIT-LJQANCHMSA-N 442.909 5.000 30 20 IKED C=CCNC(=O)[C@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccccc1 16719829 XRVGBZSIVQORBS-SFHVURJKSA-N 434.609 5.074 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cccc(C)c2C)cc1 22729362 WANSYKUPBAQFKD-UHFFFAOYSA-O 425.524 5.482 30 20 IKED C=CCNC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 29811307 ASNZYDNVXSLMRZ-GFCCVEGCSA-N 440.853 5.105 30 20 IKED N#CCc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)c1 97393223 MTZKNCZMPWLNEL-UHFFFAOYSA-N 441.384 5.415 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2oc3ccc(Br)cc3c2C)cc1 105448141 GVLMTSXTYXVYRE-UHFFFAOYSA-N 427.298 5.463 30 20 IKED COc1ccc2c(-c3ccccc3)c(C(=O)Nc3nc(C)c(SCC#N)s3)oc2c1 108825070 DCFCXZHSTAZJTQ-UHFFFAOYSA-N 435.530 5.741 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2csc(-c3cccc(Cl)c3)n2)cc1 195587864 DFUXCQHSLXVHLZ-UHFFFAOYSA-N 435.858 5.540 30 20 IKED CCOc1cc(NC(=O)c2ccccc2-c2ccccc2C#N)c([N+](=O)[O-])cc1OCC 302896410 OIEBKGGBQMLMJG-UHFFFAOYSA-N 431.448 5.183 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)CCc2ncc(-c3ccccc3F)o2)c1 303183211 LAQDUQRNUCWZSH-UHFFFAOYSA-N 430.504 5.690 30 20 IKED Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 303398143 ZJQOYMGQTTWHPP-UHFFFAOYSA-N 426.451 5.545 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 303542291 YRSLNHYIODYDOW-VQTJNVASSA-N 437.421 5.815 30 20 IKED C[C@H]1C[C@H](N(C)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCN1Cc1ccccc1 303729700 DHSXQPYVMOLGKY-SQJMNOBHSA-N 439.559 5.476 30 20 IKED COc1cccc(Oc2ccc(CNC(=O)c3sc4ccc(C#N)cc4c3C)cn2)c1 428179772 XQULWEBLHSPZFZ-UHFFFAOYSA-N 429.501 5.207 30 20 IKED CCN(CC)C(=O)c1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1Cl 432707610 NRKPPBOQEUMSEE-OAQYLSRUSA-N 426.948 5.379 30 20 IKED N#CCCn1cc(CN2CCC[C@@H](Cc3csc4ccccc34)C2)c(-c2ccncc2)n1 434980357 DDEOTKBOABQEDW-FQEVSTJZSA-N 441.604 5.528 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@H](O)Cc1ccccc1 437399187 ZCVIFWZSWUNZJA-OZWPHOJSSA-N 433.939 5.109 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1coc(-c2ccccc2)n1 437963404 OIPCJYAFHUQKFP-UHFFFAOYSA-N 438.487 5.422 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c(C)c1 438845096 ZEYQWBTWSHVOFC-DOTOQJQBSA-N 441.622 5.715 30 20 IKED C[C@H](SCc1ccc(C#N)cc1Cl)c1nc(O)c2c(-c3ccco3)csc2n1 438872957 IOXKHCYLFFWXAX-NSHDSACASA-N 427.938 6.176 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2cccc(OC(F)(F)F)c2)cc1 439114039 FZSAEDFYLMGZFE-UHFFFAOYSA-N 440.421 5.411 30 20 IKED C[C@H](N[C@@H](C)c1cc(F)c(Cl)cc1Cl)C(=O)N(CCC#N)c1ccc(F)cc1 439539744 DYCOULGTTIGTIQ-STQMWFEESA-N 426.294 5.258 30 20 IKED Cc1sc2ncnc(Sc3ccccc3C(=O)NCc3cc(C#N)ccc3F)c2c1C 440329055 RUAGFPFWGRICHO-UHFFFAOYSA-N 448.548 5.400 30 20 IKED C=CC[C@H]1N(Cc2csc(N(C(C)=O)c3c(C)cc(C)cc3C)n2)CCCC1(C)C 444775692 AWIRZYURCMRPRR-JOCHJYFZSA-N 425.642 6.320 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1 461654935 MXSLJRJILGTWNC-CQSZACIVSA-N 426.398 5.122 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1cccc(OC)c1)c1ccccc1Cl 466047698 ZTMVYJMECWQVLI-RUZDIDTESA-N 445.950 5.707 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc(NC(=O)c3cccs3)cc2)c1 467404480 ZCJZDTAHLKPBOA-LJQANCHMSA-N 446.576 5.365 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)S(=O)(=O)c1ccc(Cl)cc1C#N 469047716 RVHHFONZEQOUFO-CQSZACIVSA-N 431.970 5.025 30 20 IKED N#CCc1ccc(C(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1 469755588 HRNHLGXTSJSPLG-SFHVURJKSA-N 442.359 5.004 30 20 IKED CC(C)c1oc([C@H]2CCCN2CC(=O)Nc2cc(Cl)ccc2C#N)nc1-c1ccccc1 471183776 ZONSTJPHSNKXFN-OAQYLSRUSA-N 448.954 5.766 30 20 IKED CSc1cccc([C@H](NCc2nnc(-c3cccc(C#N)c3)o2)c2cc(F)ccc2F)c1 471642586 DADUCSKQWBMXAF-QHCPKHFHSA-N 448.498 5.488 30 20 IKED COc1ccc([C@@H](NCc2nnc(-c3ccc(C#N)cc3)o2)c2ccccc2Cl)cc1 471647087 OHOZIMATIQKPJG-HSZRJFAPSA-N 430.895 5.149 30 20 IKED N#Cc1cccc(-c2nnc(CNc3ccc(Oc4cccc(C(F)(F)F)n4)cc3)o2)c1 471647828 JAOXCHCNHBUDSI-UHFFFAOYSA-N 437.381 5.426 30 20 IKED COc1ccc(C[C@@H](NC(=O)C[C@@H](CC#N)c2ccccc2)c2ccc(OC)cc2)cc1 474288022 ZJRUYFDOMPLPHU-ZEQKJWHPSA-N 428.532 5.191 30 20 IKED N#CC[C@H](CC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)c1ccccc1 476288079 ONMBIEUSTGXZOG-QGZVFWFLSA-N 437.952 5.358 30 20 IKED N#CCCCOc1cccnc1NC(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 480012641 AOGXCNHDIKGNIR-XZOQPEGZSA-N 427.504 5.085 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@@H](CC(C)C)c2cccs2)nnc1-c1ccco1 480633382 FBLJXCIFFSDKAB-INIZCTEOSA-N 430.599 5.171 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cc(N4CCCC4=O)ccc3Cl)c2)cc1 482842314 QKGQURIODUPMJL-UHFFFAOYSA-N 431.879 5.383 30 20 IKED Cc1cccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1C(=O)N1CCCC1 482881885 ZMOOCURLYCTUGN-UHFFFAOYSA-N 425.488 5.147 30 20 IKED CC1CCN(C(=O)c2ccccc2NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 483321841 GSAZTCAYEGABPF-UHFFFAOYSA-N 439.515 5.475 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)[C@@H](c1ccncc1)c1ccc(Cl)cc1 483448757 MYVHUTPVRJVAFZ-HSZRJFAPSA-N 434.927 5.647 30 20 IKED CCCc1c(NC(=O)c2c(F)cc(C(F)(F)F)cc2F)cnn1-c1cccc(C#N)c1 487363223 ISNZNBFUMFRWSP-UHFFFAOYSA-N 434.368 5.246 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(C(F)(F)F)ccc1C#N 488734092 KYQQYVHIPPHUNT-LBPRGKRZSA-N 436.484 5.097 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccc(C)c(N2CCNC2=O)c1)c1ccc(C(F)(F)F)cc1 489907437 DPJUVQYKFFVFPT-IBGZPJMESA-N 446.473 5.372 30 20 IKED C=CCn1c(SCC(=O)Nc2c(C)cccc2O)nnc1-c1ccc(Cl)cc1Cl 490618708 WQEGXLPCNZSFLT-UHFFFAOYSA-N 449.363 5.183 30 20 IKED N#Cc1cc(NC(=O)c2ccccc2COC2CCOCC2)ccc1Oc1ccccc1 493959883 HOUKFTAGCPXNOL-UHFFFAOYSA-N 428.488 5.298 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1ncc(Cc2cccc(Br)c2)s1 494173843 UZKAUNFGPYYCPD-UHFFFAOYSA-N 445.342 5.037 30 20 IKED Cc1ccc(CN(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)o1 496364974 SMRKHFZJQWSJHP-UHFFFAOYSA-N 434.443 5.190 30 20 IKED Cc1cccc(CN(Cc2ccco2)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1 503008330 AJFQCVYLWAXTOY-UHFFFAOYSA-N 443.425 5.635 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@@H](c3c(F)cccc3F)C(F)(F)F)cc2)nc1 505423564 VJTZPNBORGPDTE-IBGZPJMESA-N 433.336 5.057 30 20 IKED N#C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1cccc(C(F)(F)F)c1 505948656 PLFVNYOIARDXII-KRWDZBQOSA-N 433.817 5.327 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 505986140 FYFUEJFFCWKRCL-QGZVFWFLSA-N 433.430 5.195 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3CCCOc4ccccc43)c2)cc1 506323722 YYDNEVLKDSIFFJ-DEOSSOPVSA-N 427.504 5.367 30 20 IKED CC(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1 508144673 FNNHKYFIKCIMRX-VQIMIIECSA-N 444.000 5.086 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)c1 510057193 RABADFZFOXUTLD-PXDATVDWSA-N 426.516 5.035 30 20 IKED C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511477815 QWQPJWWMWUEEIZ-HNNXBMFYSA-N 434.446 5.314 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@@H]2CCc3ccccc3C2)cc1 512567219 YEFHGAMTVANOOI-JOCHJYFZSA-N 427.504 5.380 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)c1nc2ccccc2n1C 513665305 CZAZKWXRDWLMCN-INIZCTEOSA-N 436.924 5.061 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)Cc3csc(-c4ccc(Cl)s4)n3)n2)cc1 516706123 OPSNJCNBJWAGPL-UHFFFAOYSA-N 442.978 5.701 30 20 IKED COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 517060045 CLDRTDOUDRJZIF-QFIPXVFZSA-N 436.899 5.250 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 518169439 OYNMIGFJVBQWIZ-RBUKOAKNSA-N 446.576 5.795 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(Oc2cccc(F)c2)nc1 518259201 FEIKFBYOUJQAPG-MRXNPFEDSA-N 436.512 5.729 30 20 IKED COCCOc1ccccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 518502278 GUYSRKIIWCBPAT-MRXNPFEDSA-N 447.343 5.632 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(-c4cccc(F)c4)n3)cc2)cc1 519060618 DRWATMISCIYVNK-UHFFFAOYSA-N 429.476 5.794 30 20 IKED COc1ccc(CN[C@@H](c2ccccc2)c2ccc3ccccc3c2)cc1OCCCC#N 520248605 BGQIBUMFMRGVQN-LJAQVGFWSA-N 436.555 6.410 30 20 IKED Cc1cccc(-n2nnc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c2C)c1 520837159 LOEBQZWSNREBBE-UHFFFAOYSA-N 445.470 5.161 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(Nc4ccc(C)nn4)c3)n2)cc1 523047782 USBINECBFAXEEZ-HXUWFJFHSA-N 425.517 5.451 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1 523252744 YTBUYAVYNJMEEX-UHFFFAOYSA-N 448.906 5.119 30 20 IKED Cc1ccc(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)c(Br)c1 523589733 BPOBXFKXWSROFX-UHFFFAOYSA-N 428.330 5.141 30 20 IKED CC(C)n1ncc2cc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)cnc21 523884704 YNFGCMRHBHWUPP-UHFFFAOYSA-N 431.883 5.582 30 20 IKED N#Cc1cc(F)c(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCC3)c(F)c1 530789425 FIFTYNXQOYWSOB-UHFFFAOYSA-N 437.496 5.916 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COc1cc(Br)ccc1Cl 535893266 WDMUCYZDXYUXTL-GFCCVEGCSA-N 439.762 5.372 30 20 IKED Cc1ccc(-n2c(SCCCC3(C#N)CCOCC3)nc3ccccc3c2=O)cc1C 539670462 LACCZGZQDIQAQX-UHFFFAOYSA-N 433.577 5.195 30 20 IKED COc1ccc(CN(C(=O)N[C@H](CCC#N)c2ccccc2)C2CCCCC2)cc1OC 539910965 JVRAUWSARVMBMX-HSZRJFAPSA-N 435.568 5.593 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccccc1OCc1ccccc1 540245533 RHMYQCSCRIRUCI-OAQYLSRUSA-N 443.547 5.056 30 20 IKED COc1ccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1NC(C)=O 541065191 DONBTIYOIBHYAE-MRXNPFEDSA-N 428.492 5.075 30 20 IKED C[C@@H]1CC(=O)CC[C@H]1C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 542153924 KGEMOJPSMUJVCX-GFWSLJDESA-N 449.313 5.449 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)N(CCC#N)Cc1ccccn1 542387575 ZQGYCWUGBUZSKB-UHFFFAOYSA-N 445.523 5.754 30 20 IKED CCN(C(=O)c1ccc(Cl)c(C#N)c1)[C@@H](c1cccnc1)c1csc2ccccc12 542552961 ZWXXREFMWILEPS-QHCPKHFHSA-N 431.948 6.073 30 20 IKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2NCC2CCCCC2)cc1 542988673 KSSWFXIXCVVGED-UHFFFAOYSA-N 439.581 5.009 30 20 IKED COc1cc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1NC(C)=O 543852651 ZILVSRXMYTVGIR-MRXNPFEDSA-N 428.492 5.075 30 20 IKED C[C@@H](NCc1cnc2ccc(Br)cn12)c1ccc(-c2cccc(C#N)c2)cc1 543875208 OFBNWTHHWVGDJH-MRXNPFEDSA-N 431.337 5.486 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 545827315 IOPGHXCGUHGRKI-UHFFFAOYSA-N 434.427 5.018 30 20 IKED C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCC2(CC1)OCCc1ccsc12 549292140 NXUMWFIHOUIJDN-UHFFFAOYSA-N 438.572 5.099 30 20 IKED N#Cc1cccc(-c2cc(C(=O)N(Cc3cccs3)C3Cc4ccccc4C3)on2)c1 552394510 SYXURFYQIHTGKZ-UHFFFAOYSA-N 425.513 5.085 30 20 IKED C[C@H](Nc1ccc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cc1)c1ccccc1 552895364 KKFFSFPTKJQYDF-RXVVDRJESA-N 428.511 5.335 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CN(C)Cc2ccc(C#N)cc2)cs1 559393059 GMAOUKNIGIMJNC-UHFFFAOYSA-N 444.482 5.350 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(OC)ccc1OCC 560727549 GEGPUAWOCRCHDD-UHFFFAOYSA-N 437.309 5.216 30 20 IKED Cc1cc(C(=O)CN2CCC(C#N)(c3ccccn3)CC2)c(C)n1CCC1=CCCCC1 577006784 YQPVNUACBZPAOW-UHFFFAOYSA-N 430.596 5.131 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3c[nH]c4ccc(Br)cc34)cc2)ccn1 589542015 MOVIMLGLZRNBJO-UHFFFAOYSA-N 433.265 5.242 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC(F)(c2ccccc2F)C1 590115076 FFVIGMCILDMUCD-UHFFFAOYSA-N 433.458 5.297 30 20 IKED C=CCN(C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603750986 ZYPXFSKFRJFWMC-LSDHHAIUSA-N 439.459 5.606 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ccc(COc2ccccc2C#N)o1 603872031 QJRQUJNRTVPSKN-OAHLLOKOSA-N 428.410 5.582 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(OC3CCCC3)nc2)cc1C 608880968 MNIVALWMXBKFTI-UHFFFAOYSA-N 429.524 5.049 30 20 IKED N#CCCN(C(=O)CSc1nnc(CCC2CCCCC2)o1)c1cccc(Cl)c1 608929734 NSRDFIHSCWXULC-UHFFFAOYSA-N 432.977 5.275 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1 608995253 GGFZYMSRMOFBLW-HSZRJFAPSA-N 435.430 5.234 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1 609001066 KQXUZHLBPRPKCP-UHFFFAOYSA-N 433.430 5.043 30 20 IKED CCCOc1ccc([C@H](C)NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1OC 609057400 NWENAPHVTZKJHJ-KRWDZBQOSA-N 434.492 5.019 30 20 IKED COc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1OC(F)F 609061978 OGEYRTLIEUNSLY-UHFFFAOYSA-N 438.430 5.308 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(OC2CCCCC2)CC1 609078931 DYZPHWLMVPPCRI-UHFFFAOYSA-N 447.579 5.791 30 20 IKED COc1cc(C(=O)N(CCC#N)CC(C)(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 609191440 UXIUPSHCLABNTP-UHFFFAOYSA-N 445.903 5.451 30 20 IKED N#CCn1c(C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)cc2ccccc21 609304710 NYVRNQQFPAKFBD-UHFFFAOYSA-N 426.476 5.833 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(Cl)c2cccnc12 609388979 OWFMIMLQQSRNFZ-OAHLLOKOSA-N 442.009 6.012 30 20 IKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 609641435 ZVPFXROOZGWVHY-QGZVFWFLSA-N 427.529 5.580 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCc2nc3cc(Cl)ccc3s2)c1C 610053440 BPOYKLIJHIMZNH-UHFFFAOYSA-N 435.940 5.195 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)Cc2csc(-c3ccccc3Cl)n2)c1C 610054104 QFFZBKFONXGLCF-UHFFFAOYSA-N 447.951 5.319 30 20 IKED COc1ccccc1-c1ccc([C@H](C)NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)cc1 610188983 FICGQNWXLPAAHV-UQBPGWFLSA-N 425.532 5.080 30 20 IKED C[C@]1(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCCN(C(=O)c2ccccc2)C1 610226164 SYHUUANEYFVBHO-MHZLTWQESA-N 439.515 5.232 30 20 IKED C[C@@H](NC(=O)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1)c1cccc(C#N)c1 611073319 BKQHCBZYUZJGNB-UYAOXDASSA-N 435.572 5.104 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1ccc2ccccc2n1 613292323 HODVBTSFRQEKRZ-IBGZPJMESA-N 446.432 5.807 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccccc2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346645 MSLJGTMPROADIR-QGZVFWFLSA-N 439.327 5.793 30 20 IKED Cn1nc(C(C)(C)C)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346937 SQSABXWQOVNHPU-CYBMUJFWSA-N 433.364 5.638 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 613391983 GBLOIQZCLGHIJE-GOSISDBHSA-N 433.533 5.795 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1Cc2cccc(Br)c2C1 613770704 XYBZJSHYSXAKQY-UHFFFAOYSA-N 448.320 5.969 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(C[C@@H](C)c2ccccc2)o1 615502900 HPZXBFAUBKJJNU-IAGOWNOFSA-N 427.595 5.173 30 20 IKED COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 618751159 GWPDNHQFMLYSKO-NRFANRHFSA-N 436.899 5.250 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)s2)c(F)c1 669694191 NLJVRRSMNFXHLJ-CQSZACIVSA-N 441.484 5.505 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 685551750 LONZHONBBIQHOY-WZONZLPQSA-N 434.540 5.050 30 20 IKED C#Cc1cccc(NC(=S)N(Cc2ccc(Cl)cc2)[C@H](C)Cc2cccs2)c1 726446057 XFBCEGQDHIZAJG-QGZVFWFLSA-N 425.022 6.213 30 20 IKED COc1ccc2oc(C)c(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)c2c1 727751138 MBTVHLCDCSDXAJ-HSZRJFAPSA-N 426.472 5.324 30 20 IKED Cc1c(Cl)cccc1NC(=S)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 727978378 IRAPBFGAPDVQOU-UHFFFAOYSA-N 442.371 6.561 30 20 IKED CC(C)CCN(CCC#N)Cn1nc(-c2ccncc2)n(-c2ccc(Cl)cc2)c1=S 728901347 FSXDOYCLRNASOT-UHFFFAOYSA-N 441.004 5.338 30 20 IKED C[C@@H](CC#N)N(C)Cn1nc(-c2ccc(Cl)cc2Cl)n(-c2ccccc2)c1=S 728901969 GBDHFUISECYUHY-AWEZNQCLSA-N 432.380 5.569 30 20 IKED CC(C)(C)CN(CCC#N)Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccco2)c1=S 729468370 RMWWYUZIBSEZHQ-UHFFFAOYSA-N 444.004 5.595 30 20 IKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(C2CCC2)C1=O)Nc1ccc(F)cc1F 730460927 ISDZNMIZLYFBMT-SFHVURJKSA-N 449.910 5.131 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Oc1c(Cl)cc(C#N)cc1OCC)O[C@H](C)C2 730469608 IRQWNKAKOMNJHB-RPVQJOFSSA-N 441.911 5.042 30 20 IKED C[C@H](Sc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 731065687 LBPJZJZYLTUNHZ-CABCVRRESA-N 448.997 5.254 30 20 IKED CCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H](C)Cc1ccc(OC)cc1 731398231 DOJXTSLBQQFMTN-RXFWQSSRSA-N 427.548 5.836 30 20 IKED N#CCOc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)c2ccccc2Cl)cc1 731977630 ZERSCUDHEXLUGO-UHFFFAOYSA-N 425.315 5.672 30 20 IKED C=CC[C@H](NC(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1)c1ccncc1 734662993 GECNEUQKIZHEMO-FCHUYYIVSA-N 436.353 5.550 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)cc1 735792037 GSNKGQKTXXYWGT-JOCHJYFZSA-N 448.526 5.837 30 20 IKED O=C(/C=C/c1ncc(-c2ccc(Br)cc2)[nH]1)c1c(Cl)nc2ccccn12 737446619 YEDBXBDUMYUZPV-CMDGGOBGSA-N 427.689 5.036 30 20 IKED Cc1ccc(-c2cnc(CCC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)o2)cc1 739599908 QCWSNKDNBFTFFB-UHFFFAOYSA-N 427.529 5.499 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N[C@H](c3ccc4c(c3)OCCO4)C3CC3)c2)s1 740037037 VFQDENRXZJCTGM-DEOSSOPVSA-N 445.544 5.008 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)c2)s1 740507357 KUCZOPLLVCCOIK-UHFFFAOYSA-N 449.535 5.113 30 20 IKED CCOc1cc(/C=C/C(=O)c2c(Cl)nc3sccn23)ccc1OCC(F)(F)F 741849590 XSXMNCOILXCTRA-HWKANZROSA-N 430.835 5.285 30 20 IKED CC(C)c1ccc(N2CC[C@H](C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)C2=O)cc1 744034839 DOHPKVCAUMTJFY-MSOLQXFVSA-N 437.952 5.302 30 20 IKED O=C(OCc1nc(CC(F)(F)F)no1)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 744797151 SVKBGRSZKCLXDF-UHFFFAOYSA-N 448.294 5.356 30 20 IKED COc1cc(/C=C\C(=O)c2cccc(O[C@@H](C)C(=O)O)c2)ccc1OCc1ccccc1 745021422 OFRPEAWNBLEOKD-LVWOJMJRSA-N 432.472 5.022 30 20 IKED CC(=O)N(c1nc(/C=C2\C(=O)c3c(O)ccc(F)c3[C@H]2C)cs1)c1ccc(F)cc1F 746015027 KQPFOCPUBUIPQY-WULZRQGASA-N 444.434 5.334 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccccc2CSC2=NCCS2)cc1 747369117 PYAMDEYKUSUXMS-UHFFFAOYSA-N 445.569 5.939 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)c3ccc(NC(=O)OCC(F)(F)F)cc3)n2)c1 752376855 WSOIBWQZDFQLOX-UHFFFAOYSA-N 446.410 5.045 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)C(=O)Nc3cccc(C(F)F)c3Cl)c2)s1 755246277 BBPVAYCXRADGSG-UHFFFAOYSA-N 445.878 5.133 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cncc(-c3ccc(OC)cc3)c2)cc1 757876508 WQJIECNFIAOCMA-XDHUDOTRSA-N 427.504 5.232 30 20 IKED C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 760184293 ROHKPJOEZDTFLK-XHDPSFHLSA-N 437.710 5.203 30 20 IKED N#Cc1ccc(-c2nnc(CNc3ccccc3NC34CC5CC(CC(C5)C3)C4)o2)cc1 760456525 WNKJHGHCWWNXKN-UHFFFAOYSA-N 425.536 5.601 30 20 IKED C=CCn1c(-c2ccccc2C)nn(CN2CCC(C(=O)c3ccccc3)CC2)c1=S 764867467 ARCSHYFHAGYYJA-UHFFFAOYSA-N 432.593 5.128 30 20 IKED C=CCn1c(-c2cnccn2)nn(CN(Cc2ccccc2)Cc2ccccc2C)c1=S 765008929 JOYQIDJMBLNGKL-UHFFFAOYSA-N 442.592 5.025 30 20 IKED Cn1cc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)c(-c2ccc3c(c2)OCCCO3)n1 767881375 VHLUYFQSWVYDIE-SOFGYWHQSA-N 428.410 5.163 30 20 IKED CC[C@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(O[C@@H](C)C#N)cc1 768179389 AWSDBGPYQYBFFB-IRXDYDNUSA-N 433.474 5.235 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)cc1 769945932 MAEWXFUIVIXVQN-MZNJEOGPSA-N 439.515 5.158 30 20 IKED CC(C)[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1cccc(C(F)(F)F)c1 775332604 HUCDHMPOGJATRR-XMSQKQJNSA-N 438.453 5.229 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H]2CCCc3cc(SC(F)F)ccc32)ccc1OC 775410563 SLESDISEBIZTGS-YLJYHZDGSA-N 432.536 5.858 30 20 IKED C=C(C)[C@@H](NCc1nnc(-c2ccc(Br)s2)o1)c1ccc(F)c(F)c1 775725996 YCPLNBPBGLQLQP-MRXNPFEDSA-N 426.286 5.246 30 20 IKED N#Cc1ccc(NC(=S)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1Cl 782206890 YWKFXHXYUGRYQM-KRWDZBQOSA-N 425.863 5.001 30 20 IKED N#Cc1ccc(C[C@@H](C#N)C(=O)OCc2cc(Cl)c(C(F)(F)F)c(Cl)c2)cc1 791748437 PAMKDKOAFKCOKD-AWEZNQCLSA-N 427.209 5.310 30 20 IKED N#CC[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1 796642742 HHQSOGLSCSXRBW-YJBOKZPZSA-N 440.355 6.381 30 20 IKED C[C@@H](NC(=O)N1CCC[C@](CO)(c2ccccc2)C1)c1ccc(-c2cccc(C#N)c2)cc1 802289284 BTMRGZMWDNVELY-PIKZIKFNSA-N 439.559 5.022 30 20 IKED C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 802592806 NHWJVIJOFDEUBV-DEOSSOPVSA-N 445.542 5.092 30 20 IKED N#Cc1ccc(N=c2scc(-c3cnccn3)n2[C@@H]2CCOC3(CCC3)C2)cc1Cl 803193968 JUMXWVLEDHJJHL-QGZVFWFLSA-N 437.956 5.038 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)s1 810534728 BOWJQEFOHOUNQK-GFCCVEGCSA-N 447.969 5.873 30 20 IKED Cc1nc(Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)c(Cl)cc1C#N 812448823 DNNIUPBEWWRMDT-UHFFFAOYSA-N 433.807 5.389 30 20 IKED C=C(C)CN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)SC1=S 814292532 YTQOCEMKMVQFBA-JAIQZWGSSA-N 429.538 5.191 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(N2CCCOC2=O)cc1 814635502 COVAOCULCGEMRM-DLBZAZTESA-N 438.553 5.310 30 20 IKED C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)c1ccc(N)cc1 815591049 UWNFGOBKIVNGGG-INIZCTEOSA-N 446.576 5.232 30 20 IKED Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)c1oc2ccc(Br)cc2c1C 821634299 ASRSMVVCBRZIJO-UHFFFAOYSA-N 435.281 5.122 30 20 IKED CC(=O)Nc1cc(NC(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F 873767994 URGNLGKAFFPIIZ-DJWKRKHSSA-N 434.311 5.474 30 20 IKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N(O)Cc3cccc4ccccc34)cc2)cc1 901369976 MWYUJIVUBXOGMC-UHFFFAOYSA-N 445.540 5.154 30 20 IKED CC(C)c1noc2ncc(C(=O)OCCC(C#N)(c3ccccc3)c3ccccc3)cc12 914888897 OHJRGTJLPISYNJ-UHFFFAOYSA-N 425.488 5.403 30 20 IKED COC(=O)c1c(NC(=O)CSCC#N)sc(C)c1-c1ccc(Cl)cc1Cl 915148800 QPJGBULLSHAEKT-UHFFFAOYSA-N 429.350 5.012 30 20 IKED CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 915701560 VYBYGSUGXUMWJL-UHFFFAOYSA-N 429.524 5.256 30 20 IKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1 915752125 GYOFXUZFWSXSFV-DNQXCXABSA-N 445.950 5.447 30 20 IKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)c1 916891474 UXTREAHIILKIHM-JQYPEGPJSA-N 436.920 5.438 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCc1ccc(Cl)cc1Cl 916902864 LEDUNGOMAWPSTP-AWEZNQCLSA-N 439.726 5.244 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CSCc1coc(-c2ccccc2)n1 916905211 BMISRJDCHBEOTK-OAQYLSRUSA-N 447.560 5.047 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1 916912359 JKQWWMCSAZBIER-HSZRJFAPSA-N 432.907 5.443 30 20 IKED CC(C)(Oc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996483 MZIVZYJHOCRIRC-INIZCTEOSA-N 449.334 6.290 30 20 IKED Cc1cc(Cl)ccc1O[C@@H](C)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917045175 WKUVOYDXCLUWLL-SMDDNHRTSA-N 438.858 5.921 30 20 IKED O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 919653412 WPJGHKJUQXPBFW-PHIMTYICSA-N 445.354 5.160 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3cc(C)ccc3C(C)C)n2)cc1 920138252 BWDHCKDOTYOZNI-DYESRHJHSA-N 434.561 5.894 30 20 IKED C#CCCOc1ccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1 920362619 GQCQUGRSXILKKU-UHFFFAOYSA-N 447.947 5.371 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc3oc(=O)ccc3c2)cc1 920938344 MGLRBCCNLRHNQP-UHFFFAOYSA-N 427.435 5.038 30 20 IKED C[C@@H](NC(=O)c1cc2c(nc1O)CCC(C)(C)C2)c1ccc(-c2cccc(C#N)c2)cc1 1611456653 MKDKSMCQAZYUKV-QGZVFWFLSA-N 425.532 5.332 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cccc4ncccc34)cc2)CCC1 1788906849 LRMUQASKGIEDOU-UHFFFAOYSA-N 435.474 5.194 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3c(C)nc4ccccn34)CCC2)cc1 1789454414 YBNGABZIHBNLMX-QFIPXVFZSA-N 442.563 5.159 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C(F)(F)c3ccco3)CCC2)cc1 1789457833 BHIQDPFPHVJCOH-IBGZPJMESA-N 428.479 5.274 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(F)cc(Cl)c3)cc2)CCC1 1792119407 ZAICMQHFTCCSRR-UHFFFAOYSA-N 444.934 5.210 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(CCCCC)s1 1801296619 QSYDAPRPXMXNLV-REPLKXPHSA-N 431.646 5.120 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)c2ccc(Cl)cc2)n[nH]1 1814659622 FLPNDCGYFPNAAN-UWJYYQICSA-N 440.975 5.053 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)c(F)c2)n[nH]1 1821041160 IXCPQYPCNVAIEO-UZLBHIALSA-N 444.938 5.277 30 20 IKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@H](CCC)CC2)CC1 1824960785 VUQLACOLOCTWFE-PMVMPFDFSA-N 434.690 5.132 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccsc2)CC1 1825794724 UPLUNFAZFZHLNK-JOCHJYFZSA-N 444.717 5.033 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC)cc2C)CC1 1828827867 YBZXLVOBLGZNNS-ZCYQVOJMSA-N 438.612 5.005 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CC=CCC2)CC1 1828903784 LDYWXNGZBOUKLM-DNQXCXABSA-N 442.720 5.014 30 20 IKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)CC1 1832828011 LFQFWWXDIMKEBY-HHHXNRCGSA-N 442.603 5.309 30 20 IKED C=CCn1c(S[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1cccc(C)c1 10241175 ZGWMPYKVBJHFPF-KNEUKCCGSA-N 436.625 5.005 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2c(Cl)ccc(Cl)c2Cl)c1 14671618 YIOMEQMKHGGWOZ-UHFFFAOYSA-N 439.726 5.367 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 14872471 XJFCOQJVZDTVLZ-UHFFFAOYSA-O 449.615 6.332 30 20 IKED N#Cc1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)cc1Cl 19298688 HVJYAEOHBMYTJU-UHFFFAOYSA-N 448.939 5.017 30 20 IKED Cc1ccccc1NC(=O)C(=Cc1ccc(O[C@H](C)C#N)cc1)C(=O)Nc1ccccc1C 110971987 UXMPLACGJGWXCQ-HXUWFJFHSA-N 439.515 5.255 30 20 IKED C=CCn1c(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)nnc1-c1cccs1 216429954 XDBLXBRHLVDCBL-UHFFFAOYSA-N 440.638 6.170 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1 301760668 JHIHGUIQEKDXQK-GOSISDBHSA-N 431.879 5.294 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccnn2[C@H]2CCCc3ccccc32)o1 303101200 HTQGRPRKPLLHMG-QFIPXVFZSA-N 438.487 5.105 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N[C@H](CCC#N)c3ccccc3)s2)cc1 429077747 LOUOALWMANYDSR-DYESRHJHSA-N 434.565 5.532 30 20 IKED Cc1ccsc1[C@@H](CO)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 429094779 FBGGEGMXCJDXRM-AZUAARDMSA-N 425.941 5.221 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 429963106 AFXVDDWGMIQTFF-CQSZACIVSA-N 449.498 5.355 30 20 IKED CCCNc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 434454291 ZLSIXFQPPRBECQ-UHFFFAOYSA-N 430.527 5.431 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 435764147 XNNQZANYALDJCD-UWJYYQICSA-N 425.319 5.091 30 20 IKED Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)[C@H](C#N)c1nc2ccccc2n1C 435778573 SOWJSJADHGWDFR-ZDUSSCGKSA-N 425.275 5.334 30 20 IKED CC(C)n1ncc2c(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc(-c3ccccc3)nc21 436352358 NCZHMFUTXPGSNY-OZXSUGGESA-N 449.558 5.591 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)c(C)c1 437066834 BBQSWMNAXDEXOJ-KRWDZBQOSA-N 425.554 5.145 30 20 IKED CC(C)(CO)[C@@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccccc1 437754189 ASTORXJZKZYYLJ-DEOSSOPVSA-N 429.520 5.274 30 20 IKED CCN(CC)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1Cl 437930658 WZYHRXXYRMQIPW-RBBKRZOGSA-N 438.959 5.126 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)cc1 438648291 QNUMWCZPRBPCDI-UHFFFAOYSA-N 437.887 5.479 30 20 IKED CC(C)(C)c1nc2ccc(S(=O)(=O)Nc3cccc(OCCCC#N)c3)cc2s1 438794458 SFPGVYRTRLRFSH-UHFFFAOYSA-N 429.567 5.077 30 20 IKED C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 439740811 QHQGZIDWVSNNLO-IBGZPJMESA-N 442.588 5.060 30 20 IKED N#Cc1ccc(CN(Cc2coc(-c3cccs3)n2)c2ccc3nc(O)[nH]c3c2)cc1 440733359 XNUDRSRSTVJBLE-UHFFFAOYSA-N 427.489 5.063 30 20 IKED C=CCC[C@@H](NC(=O)N[C@@H]1CCCn2nc(C(C)C)nc21)c1ccc(C(F)(F)F)cc1 440863502 XBGWRUIUNDKDCO-QZTJIDSGSA-N 435.494 5.262 30 20 IKED Cc1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(CC#N)cc2)c(Br)c1 441329133 IYDUMYKNUGLEAY-UHFFFAOYSA-N 438.325 5.651 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1ccc2ncccc2c1)c1ccc(C(F)(F)F)cc1 442044622 BQCNBMIERZPIKT-FQEVSTJZSA-N 427.426 5.016 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N(CCO)[C@H]2CCc3ccccc32)cc1F 443921845 OMCAWNSNPUMZBY-QFIPXVFZSA-N 431.467 5.003 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1cn(CCCC#N)c2ccccc12 444033069 REHVWDGGLUYYNA-UHFFFAOYSA-N 436.515 5.758 30 20 IKED CSc1cccc([C@@H](NC(=O)c2c(F)cc(C#N)cc2F)c2cc(F)ccc2F)c1 446043930 CUPFIAAXMZMFLL-OAQYLSRUSA-N 430.426 5.356 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc2nc(C3CC3)sc2c1 446514926 OVLCFWFZFDZDBM-UHFFFAOYSA-N 431.970 5.042 30 20 IKED Cc1c(C(=O)Nc2ccc(F)cc2C(F)(F)F)nnn1Cc1ccc(C(F)(F)F)cc1 447340199 JMZVLJZQRHIQAH-UHFFFAOYSA-N 446.326 5.064 30 20 IKED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC=C(c2cccc(Br)c2)CC1 460586129 RUVSWAAISQAMRQ-OXJNMPFZSA-N 443.389 5.008 30 20 IKED C[C@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2cccc(F)c2)no1 464926106 JTFTVGPPPXDKJU-VIFPVBQESA-N 447.310 5.404 30 20 IKED CC[C@@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1nc(C(F)(F)F)cs1 465267440 YLVRFFZQCZKCGN-GOSISDBHSA-N 445.466 5.494 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)[C@H](c1ccc(Cl)cc1)C1CCCC1 466509068 VCTQSSSKTVITHL-DEOSSOPVSA-N 426.992 5.390 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C 468581040 WORCHKZXLZXVDO-JLTOFOAXSA-N 445.535 5.059 30 20 IKED Cc1ccccc1-n1nc(C)c(CN(C)C(=O)c2cn(CCCC#N)c3ccccc23)c1C 468800454 BXJVMCINUFZIAR-UHFFFAOYSA-N 439.563 5.328 30 20 IKED COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 470374531 JEZVZLOAICATEC-HNNXBMFYSA-N 437.883 5.065 30 20 IKED CCCC[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(OC)cc1 470569583 NKZWYAXBCSZPRA-HSZRJFAPSA-N 448.567 5.331 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 471274556 XXTXEPWUOBXPRW-AWEZNQCLSA-N 430.455 5.395 30 20 IKED Cc1nnc([C@H]2Cc3ccccc3CN2CCC(C#N)(c2ccccc2)c2ccccc2)o1 472754780 QUUNSLFSSNJLBU-AREMUKBSSA-N 434.543 5.377 30 20 IKED Cc1ccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c(-c2nc(C3CC3)no2)c1 472838428 VIYINBFMSVYLHV-IRLDBZIGSA-N 427.508 5.226 30 20 IKED N#CCc1ccccc1S(=O)(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 475808623 NLRRYSNZMWIJDW-UHFFFAOYSA-N 434.304 5.048 30 20 IKED CC(C)c1oc([C@@H]2CCCN2S(=O)(=O)CC2(C#N)CCCCC2)nc1-c1ccccc1 476342347 NPTHPRLQSSDUCY-FQEVSTJZSA-N 441.597 5.406 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1 480404172 MWMVSWPMHMKTPT-QFIPXVFZSA-N 447.922 6.382 30 20 IKED COCC[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(C)o1 481612770 OJHVAMFQHWZFIO-HSZRJFAPSA-N 433.508 5.132 30 20 IKED C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 483319801 BXBLCQUEYPXLGX-KRWDZBQOSA-N 449.938 5.591 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N[C@H](c1ccc(F)cc1)C(F)(F)F 485211415 DZJWXZYHQPQKRR-LSDHHAIUSA-N 426.307 5.561 30 20 IKED Cc1ccc(C)c([C@@H](C)N(C)C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 485273490 OSJNRGRNAQKTOU-LJQANCHMSA-N 427.504 5.126 30 20 IKED N#Cc1ccccc1-c1ccc(CNc2ccccc2CS(=O)(=O)c2ccccc2)cc1 487382189 UVHYHNGATNHJEI-UHFFFAOYSA-N 438.552 5.811 30 20 IKED C=C(C)Cn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccncc1 489385335 DLRGKRVGUDNFOX-ZDUSSCGKSA-N 448.379 5.342 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CCc2nc3ccccc3s2)cc1 490628882 HPFPLRATYFDKDO-UHFFFAOYSA-N 427.529 5.513 30 20 IKED COCCSc1ccc([N+](=O)[O-])cc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 490723809 XBRDYURVYDKKBU-CQSZACIVSA-N 447.925 5.086 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccc(Cn2ccnc2)cn1)c1ccc(C(F)(F)F)cc1 492237908 TZHZFNSDNRDGQF-IBGZPJMESA-N 429.446 5.174 30 20 IKED N#C[C@H](NC(=O)CCCc1ccc(Br)s1)c1c(Cl)cccc1Cl 499863553 QMKUGHWBWQLFLB-ZDUSSCGKSA-N 432.170 5.521 30 20 IKED CC(=O)Nc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 503989170 HCBYYEHXOQQUPH-JOCHJYFZSA-N 432.911 5.276 30 20 IKED Cc1ccc([C@H](CNC(=O)c2ccccc2Sc2ccccc2C#N)N2CCCC2)o1 506375438 PJMXTQPBQCNBDG-NRFANRHFSA-N 431.561 5.178 30 20 IKED Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)N1CCC(C)(C#N)CC1 506655009 KESAASMSLMDCKF-UHFFFAOYSA-N 433.531 5.889 30 20 IKED COc1cc(F)c(NC(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1OC 506662939 OZEBLCFCXREPCW-HNNXBMFYSA-N 440.315 5.287 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)c2)cc1 511193127 SMKVFEUNVCWWQW-UHFFFAOYSA-N 440.478 5.216 30 20 IKED CN(Cc1csc2ccccc12)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511474897 NJLIVBHWQWBGLJ-UHFFFAOYSA-N 440.528 5.689 30 20 IKED C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC(Oc2ccc(C#N)cc2F)CC1 512828062 MPGBNNRHRXQEJS-HNNXBMFYSA-N 425.891 5.610 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2CCSc3c(F)cccc32)cc1 514037452 FGHGPFXMYUQSKX-HSZRJFAPSA-N 449.526 5.785 30 20 IKED N#Cc1c(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)sc2c1CCC2 515321772 AFZFRPCCYUVSSA-FQEVSTJZSA-N 449.963 5.262 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c2ccc(Br)cc2n1 515585247 JFPUEOAQRXUYMB-HNNXBMFYSA-N 434.215 5.210 30 20 IKED CC[C@H](c1ccccc1)c1nnc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)s1 518042817 VQTCYNVFLPHTPK-HXUWFJFHSA-N 444.516 5.376 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccccc1C(=O)Nc1ccccc1 518652826 FTWMQLDRNIAQCK-SFHVURJKSA-N 445.544 5.351 30 20 IKED CCC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 519438484 MKZSRFOWJLWAON-ZBFHGGJFSA-N 441.519 5.125 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)c(C)c1 520858329 ZVDHBUUKWNDDED-SFHVURJKSA-N 435.593 5.682 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 520944154 VQJDYTAGZYVGFM-LBPRGKRZSA-N 427.879 5.804 30 20 IKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccc(F)cc1F 521735369 YWDFRASRIQVYTN-NSHDSACASA-N 429.414 5.428 30 20 IKED C=CCN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nc2c(s1)CCCC2 522306979 XBKFGBQEQJDEBI-UHFFFAOYSA-N 429.545 5.305 30 20 IKED CN(Cc1ccccc1)CC1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 523149928 FUEZYHJLYZEXKT-UHFFFAOYSA-N 438.575 5.286 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)NC[C@H]3CCCO[C@H]3c3ccccc3)c2)c1 523727186 GSHMPWYXIMSRHI-RSXGOPAZSA-N 426.516 5.035 30 20 IKED CCOc1ccc([C@H](C)NC(=O)c2occc2COc2cccc(C#N)c2)cc1OCC 523944725 UVUITVFAKGUVCE-KRWDZBQOSA-N 434.492 5.019 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1NC(=O)Nc1ccccc1 524635757 LYMFOXIBGYYBOH-SFHVURJKSA-N 444.560 6.286 30 20 IKED C[C@H](Sc1ccc(C#N)cc1Cl)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 533176982 LKNHIBZNOINXTB-ZDUSSCGKSA-N 441.965 5.645 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H](CO)c3ccc(C(F)(F)F)cc3)cc2)c1 533996526 KDCZCUGPUUIHJU-NRFANRHFSA-N 441.409 5.224 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(Oc3ccc(C(C)=O)cc3)cc2)cc1 534073574 VKIABYOKIFXGKL-UHFFFAOYSA-N 428.488 5.641 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](OC1CCOCC1)c1ccccc1 535462109 PKEFOGVDVHMYMV-AREMUKBSSA-N 442.515 5.534 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1Cl 535619967 GSOSYGUMFFGCKD-UHFFFAOYSA-N 431.879 5.148 30 20 IKED N#Cc1ccc(-c2nnc(CN[C@@H](c3ccc(Cl)c(C(F)(F)F)c3)C3CC3)o2)cc1 539423203 CYFBEESRYLAOOX-LJQANCHMSA-N 432.833 5.521 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(Cl)c(OCCOC)c(Cl)c1 540229588 GBUOJVWEOFDMQW-UHFFFAOYSA-N 439.339 5.247 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 544524950 UFCNYGKGEPGYRY-NQSCKRDGSA-N 441.572 5.011 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@@H]3c3cccc(Cl)c3Cl)CC2)c(F)c1 552342385 JEFWFQVNFOBJGO-IAGOWNOFSA-N 433.310 5.178 30 20 IKED CC(C)Cn1ncc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1C1CC1 558383286 XVXWNXHJOGMUHT-UHFFFAOYSA-N 433.487 5.864 30 20 IKED Cc1cc(SC2CCCCC2)ccc1NC(=O)N1CCC(C#N)(c2ccccn2)CC1 558624153 CDCAABYCWCIPLP-UHFFFAOYSA-N 434.609 5.904 30 20 IKED Cc1ccc(OCc2ccccc2)c(NC(=O)C(=O)N[C@@H](CCCC#N)c2ccccc2)c1 560282584 GSYYMJRQFTYNRE-QHCPKHFHSA-N 441.531 5.064 30 20 IKED CC(C)Oc1ccc(-c2noc([C@H](C#N)Cc3ccc(C#N)cc3)n2)c(C(F)(F)F)c1 561893113 OJEHEZKYUSTTIP-INIZCTEOSA-N 426.398 5.264 30 20 IKED C=CCN(C(=O)COCc1ncc(C)o1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 564053081 WIWDGLWCADQFMJ-UHFFFAOYSA-N 438.336 5.149 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(C3CCOCC3)CC2)cc1 578140088 LSMOKKIIGQRSOA-UHFFFAOYSA-N 433.552 5.002 30 20 IKED CC1(C(=O)N2CCC(F)(c3ccccc3)CC2)CCN(c2ccc(Cl)cc2C#N)CC1 584179146 DMYQVBNHCRVZKJ-UHFFFAOYSA-N 439.962 5.306 30 20 IKED C[C@H](Sc1ncnc2sc3c(c12)CCCC3)C(=O)Nc1sc2c(c1C#N)CCC2 597403479 AKLMZEPVMIVRKE-NSHDSACASA-N 440.619 5.111 30 20 IKED Cc1ccccc1[C@@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)NC(N)=O 603758924 PBONTFFUJOKMET-FYYLOGMGSA-N 446.938 5.042 30 20 IKED Cc1nc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)sc1SCC#N 603774898 DKQWJOFWLXOPPJ-UHFFFAOYSA-N 431.974 5.282 30 20 IKED COc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1OCC(F)(F)F 604500198 LBAAFEVYTMCWPK-UHFFFAOYSA-N 435.446 5.198 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(C(C)C)cc1)c1cccs1 604504972 LHBVXWVXNDBBMP-RUZDIDTESA-N 447.604 5.691 30 20 IKED COc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 608785273 JPRXUKNMXRRLOT-QFIPXVFZSA-N 429.476 5.313 30 20 IKED C[C@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)Nc1ccc(C(C)(C)C#N)cc1 609205684 QMZCNUIREQBEKO-ORAYPTAESA-N 444.398 5.855 30 20 IKED N#Cc1ccccc1COc1cccc(/C=C(/CC(=O)O)c2nc3ccccc3s2)c1 609424712 NSMIDKSECJHOSO-NDENLUEZSA-N 426.497 5.762 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c3c(C)noc3n2)c(C)o1 609427612 RKZRAVRYRCBXJN-CQSZACIVSA-N 446.532 6.055 30 20 IKED C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 609970970 WFVLFMXYGOFWEG-YMTQGWHGSA-N 430.470 5.262 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](COCc1ccccc1)c1ccccc1 610142689 KGMMRTCZZZFCNT-GBXCKJPGSA-N 445.588 6.018 30 20 IKED COc1ccccc1-c1ccc(CN(C(=O)NCc2ccc(C#N)cc2F)C(C)C)cc1 610402179 CQKUCSLAMIRFPX-UHFFFAOYSA-N 431.511 5.493 30 20 IKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 611836286 SVVDAIFJUYRPFF-WMZHIEFXSA-N 449.942 5.029 30 20 IKED N#C[C@H](C(=O)c1cccn1Cc1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 613403530 DOFJSJQJFUTLBF-MRXNPFEDSA-N 425.435 5.655 30 20 IKED N#C[C@@H](C(=O)c1cnc(-c2ccccc2)s1)c1nc2cc(C(F)(F)F)ccc2s1 613403813 FZAWQZNDORRAMW-ZDUSSCGKSA-N 429.448 5.929 30 20 IKED COc1cc([C@H](C)NC(=O)NCc2ccc(C#N)c(Cl)c2)ccc1OC1CCCC1 619756025 RHUVDBUFHIGNTD-HNNXBMFYSA-N 427.932 5.102 30 20 IKED C[C@@H](Oc1ccc2ccccc2c1)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccs1 619853989 PYXDMGGNOKYGQV-MZNJEOGPSA-N 447.539 5.123 30 20 IKED Cc1ccccc1[C@]1(F)CCN(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C1 669759525 ILKCRAIYOWKUQE-BORJPKMPSA-N 440.403 5.485 30 20 IKED C=CCNC(=O)c1cccc(-c2noc(-c3sc(-c4ccccc4)nc3C(F)F)n2)c1 680730595 JUYLIFJMXQEIGY-UHFFFAOYSA-N 438.459 5.381 30 20 IKED COc1ccc(-c2n[nH]cc2C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 680985682 NAVRVMYARHOPRS-AWEZNQCLSA-N 442.422 5.204 30 20 IKED C[C@]1(c2ccc(F)cc2)CCN(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 684655847 VDJZODWQRRTXQH-DEYYWGMASA-N 440.403 5.408 30 20 IKED O=C(Nc1cc(Cl)c(Cl)cc1F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 685018304 BDGCZQDCQZQANQ-BQBZGAKWSA-N 427.147 5.727 30 20 IKED O=C(Nc1cc(F)c(F)cc1N1CCCCC1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 685689435 WRJXWYAWKTVVJW-QWRGUYRKSA-N 445.354 5.160 30 20 IKED C[C@@H]1CN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@H](F)C(F)(F)F)(C4)C3)CCC1(F)F 685888907 MLDFDVFYQZMMLT-RNEBZRLMSA-N 447.410 5.612 30 20 IKED C#Cc1cccc(N2C(=O)/C(=C\c3cccc(OCC)c3OC(F)F)SC2=S)c1 726626339 DPTTZSZQYMWMLL-SFQUDFHCSA-N 431.485 5.074 30 20 IKED COc1ccc(/C=C2/CCc3nc(-c4ccccc4)sc3C2=O)cc1OCCCC#N 727266891 JEQJGYUZCBWHDN-CYVLTUHYSA-N 430.529 5.714 30 20 IKED Cc1ccc(-c2nnc([C@H](C)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)o2)cc1 728298896 MAGQATXVTIBPBI-KRWDZBQOSA-N 428.467 5.808 30 20 IKED N#C[C@@H](C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1 728766960 QLPAKXFLKDDKKK-DLBZAZTESA-N 434.870 6.376 30 20 IKED CCc1ccc(OCc2nn(CN(C)[C@@H](C)CC#N)c(=S)n2[C@H](C)c2ccccc2)cc1 728902464 PULIKYQNQRNABG-VQTJNVASSA-N 449.624 5.356 30 20 IKED N#C[C@@H](C(=O)[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1)c1nc2ccccc2o1 730399367 YMEJPVWWIVGCFA-NYHFZMIOSA-N 437.282 6.131 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)c1nc2cc(F)ccc2s1 730422081 TTYBZZLAQLHLFD-AWEZNQCLSA-N 427.913 5.631 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(c2cccc(Cl)c2)CCC1 731066195 LNAIGYHJKCZKCG-INIZCTEOSA-N 442.968 5.338 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 732709156 YNHCNFWURBNFQA-MRXNPFEDSA-N 426.806 5.372 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)c1 733843018 IQTXVOBGSQGKNZ-HSZRJFAPSA-N 429.520 5.289 30 20 IKED C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1nc2ccccc2s1 734209191 YOYQEHPTDSNNCD-QGZVFWFLSA-N 442.544 5.824 30 20 IKED C=CC[C@H](NC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)c1ccncc1 734455997 QCBCMSJGJKQONV-BEFAXECRSA-N 427.957 5.445 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2)cc1 735518746 KQNPZYZTVGVMAG-VWLOTQADSA-N 442.515 5.072 30 20 IKED N#Cc1c(NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)nc2n1CCS2 735636028 ZGGWWMCROULWSW-UHFFFAOYSA-N 449.586 5.015 30 20 IKED Cc1nc(NC(=O)C(C)(C)Sc2ccc(Br)cc2)sc1SCC#N 736003485 LMOFDRXXCNBJOH-UHFFFAOYSA-N 442.429 5.339 30 20 IKED Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3nccc4ccccc34)cc2)cc1 740764301 QVHVQRZCHAVWQY-CCEZHUSRSA-N 428.513 5.240 30 20 IKED CN(CCC#N)c1ccc(CN[C@@H](c2ccccc2)c2ccc(Br)cc2)cc1 742725400 PSJBKWYWMNLQGI-DEOSSOPVSA-N 434.381 5.678 30 20 IKED O=C(C[C@H]1SC(=Nc2ccccc2)N(C2CC(F)(F)C2)C1=O)Nc1cccc(Cl)c1 757886462 UWTYCQHGZQZBPO-QGZVFWFLSA-N 449.910 5.098 30 20 IKED O=C1/C(=C/c2nc(Cl)cs2)CN(c2ccccc2)C/C1=C\c1nc(Cl)cs1 759077131 QYZQAYDPIAGPGC-PWHKKFIBSA-N 434.373 5.463 30 20 IKED C/C(=C\c1ccc(Cl)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 759206429 OIFMSOQMOKDLKQ-QGUORLBXSA-N 430.891 5.883 30 20 IKED C[C@H](OC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1nc(O)c2ccccc2n1 761487359 ISWBOKVIDFDDFA-AWEZNQCLSA-N 445.862 5.571 30 20 IKED Cc1ccc(C)c(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccc3c(c2)CCCC3)c1 762445798 YRCJOHIENHUICB-UHFFFAOYSA-O 440.592 5.665 30 20 IKED CN(C)C(=O)c1cc(F)ccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 767140147 GWUUCSWYOJSAEA-UHFFFAOYSA-N 437.858 5.097 30 20 IKED CCOc1cc(/C=C/C(=O)c2sccc2OC)ccc1OCC(=O)Nc1ccccc1 769746164 BFZZUYDDKMXDJS-PKNBQFBNSA-N 437.517 5.069 30 20 IKED COCCc1nc(C)c([C@H](C)OC(=O)c2ccc(OCc3ccccc3C#N)cc2)s1 773913623 RLEYQHRPILWHOL-KRWDZBQOSA-N 436.533 5.009 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 780502201 XOUYOOCQNPSKDF-UZLBHIALSA-N 430.895 5.930 30 20 IKED C[C@@H](OC(=O)C1(Nc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C#N)cc1 783082127 CBMGDMZTEBESSD-LJQANCHMSA-N 449.551 5.044 30 20 IKED CC[C@H](NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccccc1 787030490 FHOJLMDEJSDHFS-GGAORHGYSA-N 441.462 5.080 30 20 IKED CC(=O)N(c1nc(COC(=O)C[C@H](CC#N)c2ccccc2)cs1)c1cccc(C)c1C 795988645 ZMDYUORHOBGZIL-NRFANRHFSA-N 447.560 5.575 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)[C@@H]1OCCc2sccc21 796760541 AKRWTHPIHSXGCL-QROBEVECSA-N 428.966 5.651 30 20 IKED COc1ccc(-c2nc(/C=C\C(=O)c3ccc(OC)c(Br)c3)cs2)cc1 797157100 NXCIMFNWYBWPAP-TWGQIWQCSA-N 430.323 5.486 30 20 IKED O=C(O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1cc(F)c([N+](=O)[O-])cc1F 809327123 TYOKMZWHJWVFQT-ZDUSSCGKSA-N 429.219 5.352 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)s1 810040236 NPXAMXAPUCQNFE-UHFFFAOYSA-N 433.533 5.167 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc2cc(Cl)sc2[nH]1 810529367 FAHWOZRYRABATH-NSHDSACASA-N 425.869 5.159 30 20 IKED C[C@@H](NC(=O)[C@@H](C#N)C(=O)c1cnc2c(F)ccc(F)c2c1)c1ccc(Cl)cc1Cl 816039014 LVTZETVJEVLCRC-BMIGLBTASA-N 448.256 5.020 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccc4ccccc4c3)o2)cc1 915797601 FIBWJVNVGMSMEW-GOSISDBHSA-N 442.544 5.626 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc2c(s1)-c1ccccc1OC2 916898478 BRIYSIZJHIIQGD-IBGZPJMESA-N 430.529 5.393 30 20 IKED N#C[C@@H](C(=O)[C@@H](Oc1ccccc1Br)c1ccccc1)c1nc2ccccc2o1 917510121 OZKRRFGIFYCTHW-AOMKIAJQSA-N 447.288 5.587 30 20 IKED CSc1nc(O)c(C(=O)Nc2cccc(Cl)c2Sc2nc(C)cs2)cc1C#N 1528669114 NUINODIAZCXZQQ-UHFFFAOYSA-N 448.982 5.203 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)CC3CCC(C)(C)CC3)CCC2)cc1 1786366533 BMUGMQSKWUKNTJ-UHFFFAOYSA-N 440.628 5.710 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cccc(OC)c34)CCC2)cc1 1791253399 DXPKDYWLPBDJTA-QGZVFWFLSA-N 431.536 5.136 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)CSc3ccccc3)CCC2)cc1 1791299819 HQDXDQSQEAYEQW-UHFFFAOYSA-N 430.520 5.124 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3c(Cl)cccc3OC)CC2)C1 1804868720 LULIRKCABBEXQZ-UHFFFAOYSA-N 447.019 5.186 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)C3(c4ccccc4)CCC3)CC2)C1 1805459647 QYGPEKVOIKSDNR-UHFFFAOYSA-N 434.624 5.108 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](C)Sc3ccccc3)C2)CC1 1805848493 MYEPKEDNTDMYLN-OAQYLSRUSA-N 442.669 5.391 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)[C@H]1c1cccnc1 1812900050 XNEHRPFYPPUNAE-HIGZBPRKSA-N 439.644 5.296 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)c2cccs2)n[nH]1 1822704400 VOWYBJWIJLZSMQ-APWZRJJASA-N 426.586 5.035 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(C)ccc3[nH]2)CC1 1828119237 XVSYRTKPMANJDB-SANMLTNESA-N 447.623 5.478 30 20 IKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C3CCCCC3)CC2)cc1 1830632738 XQOSOFZZTPPMPN-XZXPPUMWSA-N 447.623 5.122 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)C1 1843459298 UJYZCKTXUJFZIL-FQEVSTJZSA-N 438.955 5.185 30 20 IKED Cc1ccc(C(=O)/C(=C(\S)Nc2cccc3ccccc23)[n+]2ccc(N(C)C)cc2)s1 22693394 FVHFJHSBSQNRHW-UHFFFAOYSA-O 446.621 5.614 30 20 IKED CC(C)(CNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc2c(c1)OCCO2 58759096 DBXHVSVADQXLOP-UHFFFAOYSA-N 444.556 5.188 30 20 IKED CCCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 60488377 QAVBDDSIHOYMSF-GOSISDBHSA-N 435.549 5.335 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(CCC#N)Cc2cccnc2)cc1 72053583 HUVXNVDKMWDBGP-UHFFFAOYSA-N 438.531 5.114 30 20 IKED C[C@@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1C(=O)c1ccc(C#N)cn1 216993876 VETGTEXVLNETFN-BEFAXECRSA-N 426.907 5.437 30 20 IKED N#Cc1ccc(N2CCc3[nH]c4ccccc4c3C2)nc1N1CCc2[nH]c3ccccc3c2C1 302681354 PCLZHKVWNHKPAV-UHFFFAOYSA-N 444.542 5.041 30 20 IKED CCCNC(=O)c1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 303846402 JUWYEIJQBLPRLZ-QFIPXVFZSA-N 431.923 5.388 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NC2(c3ccc(F)cc3)CCOCC2)cc1 410034868 XCRCPBXZXRJLHZ-UHFFFAOYSA-N 434.442 5.064 30 20 IKED Cc1csc(Sc2ccc(C(=O)Nc3ccc(C#N)cc3Cl)cc2[N+](=O)[O-])n1 430363683 HRBRNISTJWUDIO-UHFFFAOYSA-N 430.898 5.288 30 20 IKED COc1cc(C)cc(C)c1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 434635556 WPCLTCOUNLBHIB-UHFFFAOYSA-N 444.500 5.137 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N[C@H]3C[C@@H]3c3ccccc3OC(F)F)c2)c1 437369066 CVLAOONDMWCAJC-YADHBBJMSA-N 434.442 5.025 30 20 IKED Cc1cc(C)c2nc(C3CC3)cc(C(=O)N(CCC#N)c3ccc4c(c3)OCCO4)c2c1 438361465 GCUVASCDEAOUHI-UHFFFAOYSA-N 427.504 5.061 30 20 IKED CO[C@@H](C)c1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 439554175 UCDQTFMFOMNOAP-HNNXBMFYSA-N 449.894 5.289 30 20 IKED N#Cc1cnc2c(Br)cccc2c1NCc1ccc(C(=O)N2CCCCC2)cc1 440648830 YGMMTRPBLCUPOX-UHFFFAOYSA-N 449.352 5.107 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 440943746 RHCVQLUZLFMRBH-UHFFFAOYSA-N 431.542 5.412 30 20 IKED C=CC[C@@H]1N(C(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)CCCC1(C)C 443854553 CXUXDDUXSIIVKQ-IBGZPJMESA-N 426.630 5.118 30 20 IKED N#Cc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1C(F)(F)F 443886872 VGFHDBBNCSZJQY-UHFFFAOYSA-N 427.357 5.221 30 20 IKED N#Cc1ccccc1Oc1ccc(N2C(=O)N[C@H](c3ccc(Cl)c(F)c3)C2=O)cc1F 446157247 ILBXNBIBWOCGIY-HXUWFJFHSA-N 439.805 5.080 30 20 IKED N#C[C@@H]1N(Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)CCC[C@@]12CCCCO2 447900165 AFJPLIYKHKIHEX-ZCYQVOJMSA-N 434.971 5.165 30 20 IKED C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)c1cc2ccccc2o1 460941826 USHCSJBHEBCNEG-MRXNPFEDSA-N 440.507 5.114 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC(c2noc(C3CC3)n2)CC1)c1ccc(C(F)(F)F)cc1 463309121 LEFKBIZJWYSWRJ-LJQANCHMSA-N 448.489 5.562 30 20 IKED CCN(C(=O)[C@H](C)c1cccc(C#N)c1)[C@H]1CCSc2ccc(Br)cc21 463940751 BPONTGYCIJGRIY-KUHUBIRLSA-N 429.383 5.510 30 20 IKED N#C[C@@H](C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)c1cc(C(F)(F)F)ccn1 464473314 GRKVSZUIGZXYMQ-GFCCVEGCSA-N 425.197 5.083 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)c3nc[nH]n3)cc2Cl)cc1 467151343 WNNFKCNVFNAOHQ-NRFANRHFSA-N 444.882 5.033 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 474436856 WGJUNPOBIXHHQB-HNNXBMFYSA-N 427.526 5.518 30 20 IKED C[C@H](SCC(=O)Nc1ccc(C#N)cc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 476200819 VKBWLGYPQMWWFW-LBPRGKRZSA-N 432.427 5.060 30 20 IKED Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(Sc3ccccc3C#N)cc2)c(C)c1 479525412 KEYYOWMODHIWMK-UHFFFAOYSA-N 443.572 5.345 30 20 IKED Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 479859279 FBWFZGLNNIWQFI-UHFFFAOYSA-N 445.494 6.035 30 20 IKED Cc1ccccc1-n1nc(C)c2cc(C(=O)Nc3ncccc3OCCCC#N)sc21 481520914 PUKJLEOVGDDDIO-UHFFFAOYSA-N 431.521 5.034 30 20 IKED CCC(CC)[C@@H]1C[C@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCO1 481611633 LVRHRTSQRRMUSW-RDGATRHJSA-N 435.568 5.437 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCc2cnn(-c3ccccc3)c2)cc1 488008325 HNYZIAGLHPDCTM-UHFFFAOYSA-N 438.506 5.045 30 20 IKED C=C[C@@H]1CCCCN1C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 488868493 JWXKXUYVHKIDGT-NZCCEVMUSA-N 433.533 5.702 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2ccc(Oc3ccccc3)cc2)nnc1-c1cnccn1 488912865 OISYQMDMWQLQQH-QGZVFWFLSA-N 443.532 5.077 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 500753506 KHALHRZXUWCHPX-HNNXBMFYSA-N 429.501 5.344 30 20 IKED CCOc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)ccc1OCc1cccnc1 503517338 RCTHYWZMYMEXFV-GOSISDBHSA-N 429.501 5.159 30 20 IKED Cn1c([C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c2ccccc2)nc2ccccc21 504430812 GORFTFNYPBZFKJ-SANMLTNESA-N 447.542 5.033 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(c3ccccc3)CC2)cc1Cl 506278861 CBCVFNUQVOLAKP-XMMPIXPASA-N 444.966 5.786 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OCc4ccccc4)nc3)n2)cc1 508198859 ZDKWHJXIOFHFFW-NRFANRHFSA-N 436.496 5.146 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c(C)nc(C(C)C)nc2SC)cc1 509091563 AMZFRYDQOTVDDX-UHFFFAOYSA-N 448.548 5.555 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nc2ccccc2n1C(F)F 510501861 MCCNSPQMJJBSCP-HNNXBMFYSA-N 447.445 5.978 30 20 IKED C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511534091 XQCMTJWGQKUTMQ-OAHLLOKOSA-N 434.446 5.314 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c(Br)c3)n2)cc1 511907334 YPQFKGVOGVXCEG-AWEZNQCLSA-N 442.725 5.588 30 20 IKED N#C[C@@H](C(=O)c1ccccc1OCc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cn1 513213607 HEJBNPFRRGNHLL-GOSISDBHSA-N 430.813 5.823 30 20 IKED CN(C[C@@H]1OCCc2ccccc21)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 513999277 LGYOSNMJCXQHAD-SANMLTNESA-N 441.531 5.109 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCc1nnc(-c2ccccc2)o1 514536970 LKLZUFVQRHAICB-UHFFFAOYSA-N 440.478 5.222 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1 514569399 FVXDAFQMTZBKRK-QFIPXVFZSA-N 435.321 5.099 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 515101008 HTJXMZHXGRPZJA-UHFFFAOYSA-N 441.354 5.032 30 20 IKED CCc1ccc(-n2nc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c3c2CCC3)cc1 518622262 LGTOKPAUOFHAKK-SFHVURJKSA-N 445.473 5.158 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCCC[C@H]3c3cc4ccccc4[nH]3)o2)cc1 518668116 UQSPWXMLFYPDEW-DEOSSOPVSA-N 425.488 5.579 30 20 IKED N#Cc1c(SCc2nnc(-c3cccc(Cl)c3)o2)nc2c(c1-c1ccco1)CCC2 520724212 FRRMKKYFVDDQJI-UHFFFAOYSA-N 434.908 5.698 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cccc(Cl)c2Cl)cc1 521209736 IWKUMFHIWZRVHV-UHFFFAOYSA-N 440.330 5.960 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(NC(=O)c4ccccc4)c3)cc2)nc1 521953801 VCTXLPZZUWFKSO-UHFFFAOYSA-N 434.455 5.250 30 20 IKED COc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(Br)c1 523382096 QKKXGVRNTMBCQV-UHFFFAOYSA-N 437.293 5.682 30 20 IKED Cc1noc(C)c1CSCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524391671 VYLKBERWJKHFOC-UHFFFAOYSA-N 441.940 5.267 30 20 IKED Cc1cc(C)cc([C@H](C)NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 524675631 MCUVVAPDDCUUNG-HNNXBMFYSA-N 449.498 5.144 30 20 IKED C=C(C)COc1cc(CNCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)ccc1OC 532119764 GEQJUWJHAQYTCY-UHFFFAOYSA-N 434.511 5.331 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2nnc(-c3ccccn3)s2)cc1Cl 535620569 MJROBKKWHOROEU-UHFFFAOYSA-N 433.880 5.170 30 20 IKED CC1CCN(CCc2cccc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c2)CC1 536720256 BQHZEEWBMJUZBB-CLJLJLNGSA-N 430.596 5.265 30 20 IKED Cc1cc(NC(=O)N[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)nn1CCC#N 537515699 UMCGYOBPNGBDPJ-KRWDZBQOSA-N 425.842 5.050 30 20 IKED COc1ccc2ccccc2c1-c1cc(CNc2ccccc2SC[C@@H](C)C#N)on1 538652316 NKWPQXRSKWTENQ-KRWDZBQOSA-N 429.545 6.367 30 20 IKED O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ccc2nc(C(F)F)[nH]c2c1 538793562 LNIUEQOHNSTULU-UHFFFAOYSA-N 445.298 5.283 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1ccccc1F)C1CCCC1 539325937 JWIHQQDJPBQBJO-XDHUDOTRSA-N 425.573 5.537 30 20 IKED N#CC1(CCCSc2nnc(COc3ccccc3Cl)n2C2CC2)CCOCC1 539512303 QBRQVGCFZKXMEQ-UHFFFAOYSA-N 432.977 5.038 30 20 IKED CC(C)OCCOCc1cccc(NC(=O)c2ccccc2Oc2ccccc2C#N)c1 539765557 IOQXGBLTOIMFFK-UHFFFAOYSA-N 430.504 5.544 30 20 IKED Cc1cc(Br)c(NCc2nnc(-c3ccc(C#N)cc3)o2)c(Br)c1 540738703 NTXDJRDXEMNRAD-UHFFFAOYSA-N 448.118 5.054 30 20 IKED C[C@@H](NCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc(-c2cccc(C#N)c2)cc1 541088965 GWZZPSHFVTYVIO-OAHLLOKOSA-N 449.341 6.433 30 20 IKED C[C@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 543606568 IHCBAGHOEPZHIS-SBUREZEXSA-N 430.483 5.286 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)cc1 543805581 KKHWVSILEBLDJI-AWEZNQCLSA-N 429.404 5.118 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N[C@H]3CCO[C@@H](c4ccc(F)cc4)C3)c2)cc1 544584984 JSCGICQNTPIMTA-XUZZJYLKSA-N 431.467 5.531 30 20 IKED Cc1ccc2c(c1)CN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)cc1C)CCO2 558323279 OYBPXQQJFYCHIX-UHFFFAOYSA-N 427.504 5.181 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)c3nc4ccccc4cc3Br)n2)cc1 561677220 RQEAKRKBHYYKOW-UHFFFAOYSA-N 435.306 5.245 30 20 IKED Cc1sc(C2(NC(=O)[C@H](C)Oc3ccccc3C#N)CCC2)nc1-c1ccccc1F 563994917 IZACOWAPMCXOCN-HNNXBMFYSA-N 435.524 5.092 30 20 IKED C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 566381250 DLLJZVIJQDYWJZ-PXNSSMCTSA-N 439.962 5.362 30 20 IKED CSCC[C@](C)(C#N)NC(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 570171304 XKJZVGMSQBKFLC-LJQANCHMSA-N 437.334 5.146 30 20 IKED N#Cc1ncn(-c2ccccc2NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)n1 583667891 BAYAUQWRYCMZFX-UHFFFAOYSA-N 447.829 5.278 30 20 IKED CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(OC)cc3)c(C)s2)c(C#N)c1C 603444775 YOIXNCUYFWGPCS-UHFFFAOYSA-N 440.546 5.403 30 20 IKED Cc1cc(OC(F)F)c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1 604005481 XVWZJELUGPOLST-SECBINFHSA-N 432.395 5.777 30 20 IKED C=CCN(C(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1)c1nc2c(s1)CCCC2 607446697 ZUVQNGFGYVQFHX-UHFFFAOYSA-N 436.581 5.493 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Br)cn2)cc1Cl 608938268 YOPWMGDQQNURPA-KRWDZBQOSA-N 426.701 5.405 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N[C@@H](c3ccccc3)c3ccc(F)cc3)o2)cc1 609056311 GNHSKIVQFDQNFJ-VWLOTQADSA-N 426.447 5.389 30 20 IKED N#CCn1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc2ccccc21 609166061 QQBVOECQQZIOLM-UHFFFAOYSA-N 426.863 5.735 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609184947 HAYMGMOVTLODGH-UHFFFAOYSA-N 437.952 5.327 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2)cc1 609204738 HMHCJCPISDAOAF-UHFFFAOYSA-N 427.504 5.734 30 20 IKED CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1 609297277 ALPHIZUOUOHPHF-UHFFFAOYSA-N 431.467 5.270 30 20 IKED C[C@H](SCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(OC(F)F)cc1 609391077 MTMNMACOCUDFMK-CABCVRRESA-N 436.549 6.115 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 609431724 HISXGPXNJXHUKJ-MWTRTKDXSA-N 439.581 5.599 30 20 IKED Cc1cccc([C@@H]2CCCCCN2C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)c1 609812235 CAYXNURUWSCOBH-KNQAVFIVSA-N 435.593 5.329 30 20 IKED CC[C@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(F)cc1F 610016730 POAPLKKFQBQMQM-KRWDZBQOSA-N 445.520 5.253 30 20 IKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 611836285 SVVDAIFJUYRPFF-CVDCTZTESA-N 449.942 5.029 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@H](C#N)c1ccc2ccccc2n1 613292794 XBMBCWLHMUQZLZ-QGZVFWFLSA-N 445.931 6.001 30 20 IKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2ccco2)c1)c1nc(-c2ccc(Cl)cc2)cs1 613319705 LKTPJAMLJWFYBU-SFHVURJKSA-N 447.903 5.799 30 20 IKED Cc1ccccc1-n1ncc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1C 613405002 SFTZZQFCDMSSJQ-HNNXBMFYSA-N 440.450 5.608 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 615485827 WLXUZJIQAFVFII-UHFFFAOYSA-N 445.519 5.176 30 20 IKED Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2ccccc2)c1C 619820150 NNMPWGZHWMNYLR-RLWLMLJZSA-N 429.568 5.213 30 20 IKED C=CCn1c(S[C@@H](C(=O)N2CCc3ccccc3C2)C(C)C)nnc1-c1cccc(C)c1 639428083 QHWIKJHVTXRWEW-HSZRJFAPSA-N 446.620 5.141 30 20 IKED C=CCC1(C(=O)N2CC(CN3CC(C)(C)c4cc(-c5cnn(C)c5)ccc43)C2)CCCCC1 659806335 YHWBOGYGGKVTDR-UHFFFAOYSA-N 446.639 5.170 30 20 IKED N#C[C@@H](C(=O)c1cccc(OCC(F)(F)F)c1)c1nc2cc(C(F)(F)F)ccc2s1 676242509 WHBUZFUHSYXUSS-ZDUSSCGKSA-N 444.356 5.746 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1(c2ccc(F)cc2F)CCCC1 677658594 PRTCODVMLPLCSH-RYUDHWBXSA-N 443.378 5.802 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)c1cc(Br)cnc1Cl 726500939 VHUDCZJGSSANSG-UHFFFAOYSA-N 426.701 5.216 30 20 IKED COc1ccccc1Cc1nnc(S[C@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)o1 727266109 RDFMPHAOCYKLBP-QFNCUCFLSA-N 449.576 5.030 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(F)c(Cl)nc1Cl 728812221 YPBJCTQWLDCBBO-WDSKDSINSA-N 427.147 5.167 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc(F)c(Cl)nc3Cl)cc2Cl)cc1 728817850 GZPRPLQCCKWLOZ-UHFFFAOYSA-N 436.657 6.097 30 20 IKED C=CCOCC(=O)N(C1=NCCCS1)c1ccc(-c2nc3cc(C)ccc3s2)cc1 729652177 SFSRYLRYIAWXBA-UHFFFAOYSA-N 437.590 5.300 30 20 IKED N#CCn1c(C(=O)OCc2csc(COc3ccc(Cl)cc3)n2)cc2ccccc21 729769511 YKVCOAFCSCDPMQ-UHFFFAOYSA-N 437.908 5.211 30 20 IKED CS(=O)(=O)Nc1cccc(C(=O)/C=C\c2ccc(-c3ccc(C(F)(F)F)cc3)o2)c1 729819076 CHWJZUNJBTYIJU-LUAWRHEFSA-N 435.423 5.233 30 20 IKED N#C[C@H](C(=O)NCc1ccccc1)C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 729888579 IUARSRUGQCFUPH-LBPRGKRZSA-N 437.735 5.500 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1sccc1SC(F)F 730493328 DPCZLINLWDJABJ-UHFFFAOYSA-N 430.501 6.074 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]1c1ccccc1C(F)(F)F 731029908 JODNURZVORZXNE-UZLBHIALSA-N 447.526 5.733 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2COc2cccc(C=O)c2)cc1 731607405 LVBGFBHVSIJWPU-NDEPHWFRSA-N 446.506 5.986 30 20 IKED N#C[C@H](NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1)c1ccccc1Br 733267235 UYASANNXUAMVSC-YXBWYFRISA-N 426.701 5.045 30 20 IKED O=C(/C=C/c1ccc(Oc2cnccn2)cc1)c1ccc(OC(F)F)cc1OC(F)F 743059449 XWTHBJVFRUQNSQ-FPYGCLRLSA-N 434.345 5.368 30 20 IKED CC(C)c1ccc(N2CC[C@H](C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)C2=O)cc1 744034840 DOHPKVCAUMTJFY-QZTJIDSGSA-N 437.952 5.302 30 20 IKED CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 744765806 HXPOCLJWGYHVCJ-DEOSSOPVSA-N 448.517 5.216 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1csc(-c2ccc(F)cc2)n1 747573940 SBYYPKUQPJOSDT-UHFFFAOYSA-N 447.285 5.201 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1sc(-c2cccc(Cl)c2)nc1C 749361308 NPBCZBOWTKWPMV-UHFFFAOYSA-N 432.936 5.521 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1 750691643 UOGXHUOQIJQUOD-XJUOHMSHSA-N 435.449 6.038 30 20 IKED CC(C)Oc1cc(CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C2CC2)ccn1 752187412 VOWJGANVPGUDSK-RUZDIDTESA-N 440.547 5.721 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)c2sc(-c3ccccc3)nc2C)cc1C#N 752298304 CDQXJFYBOSSPSD-OAHLLOKOSA-N 449.536 5.441 30 20 IKED C=CC[C@H](NC(=O)N1CC[C@H](c2ccccc2)[C@@H]1c1cccc(OC)c1)c1ccncc1 753191746 RLQGFGLLIJSVGT-ZNZIZOMTSA-N 427.548 5.648 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2cccc(Cl)c2o1 753517808 SXVSKLKCBLEYLD-ZDUSSCGKSA-N 428.897 5.276 30 20 IKED CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)[C@H](C#N)c1nc(C(C)C)cs1)OCC3 759410128 QKEHAHNKEKDGJO-DFBJGRDBSA-N 435.593 5.755 30 20 IKED N#CCOc1cccc(CC(=O)N(Cc2ccccc2)c2nc3ccc(Cl)cc3s2)c1 760353144 HCWWVTQKDHCMCS-UHFFFAOYSA-N 447.947 5.628 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCCn1ccc2cc(Cl)ccc21 760965377 JSGHTPWDKRZVKI-NRFANRHFSA-N 435.955 5.547 30 20 IKED Cc1onc(-c2ccc(F)cc2)c1C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F 764752225 UVNJUFQOLBDZFU-UHFFFAOYSA-N 435.242 5.117 30 20 IKED CCCC[C@H](ON=C(C)C)C(=O)O[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 767753200 ZPPUFPKHLVUDOO-WBMJQRKESA-N 428.316 5.619 30 20 IKED C=CCN(C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1)C1CC1 772896927 XDNSMEWIDUCDOD-UHFFFAOYSA-N 439.631 5.746 30 20 IKED N#Cc1cc(N[C@@H]2CCCc3nc(-c4ccccc4)sc32)ccc1N1CCC(O)CC1 777116306 FFJUNYYUUDFQLA-OAQYLSRUSA-N 430.577 5.132 30 20 IKED COc1cccc(-c2n[nH]cc2CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 779595825 OPBHNOSTWXOOGR-UHFFFAOYSA-N 428.467 5.287 30 20 IKED C[C@H](NC(=O)N1CCC(Oc2ccc(F)nc2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 790471576 LCFTUFLFVYHOFP-SFHVURJKSA-N 444.510 5.073 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)c1Br 791772007 SSMSDMFRIWNPHI-ZDUSSCGKSA-N 440.124 5.334 30 20 IKED C#C[C@@H](NC(=O)c1c(Br)cccc1Br)c1ccc(Cl)cc1F 804415339 FMNSAOBAXYZUJY-CQSZACIVSA-N 445.513 5.108 30 20 IKED N#Cc1cc(Oc2ccc(NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)ccn1 810167079 YIXBSDKBGNHXHU-UHFFFAOYSA-N 429.480 5.256 30 20 IKED CC(C)(C(=O)[C@@H](C#N)c1cnc2ccccc2n1)c1csc(-c2cc(F)ccc2F)n1 810716698 LLSNLGNSKONBCC-HNNXBMFYSA-N 434.471 5.186 30 20 IKED C=CC[C@@H](NC(=O)N[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21)c1ccncc1 812047486 HKSZWJFSJKFJPC-UYAOXDASSA-N 439.357 5.319 30 20 IKED N#Cc1cc(C(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)cnc1C(F)(F)F 815065276 WOERYLCDHVVQIY-LBPRGKRZSA-N 446.281 5.510 30 20 IKED CC(=NOCC(=O)Nc1ccccc1-c1ccccc1)c1ccc(NC(=O)C2CC2)cc1 914572398 UYDWZVYMZYVRLB-UHFFFAOYSA-N 427.504 5.081 30 20 IKED CC(=NNc1ccc(F)cc1Br)c1ccc(S(=O)(=O)C2CCCC2)cc1 914695416 UEBCZCSWPNGZIK-UHFFFAOYSA-N 439.350 5.141 30 20 IKED CN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccco2)c1=S 914783096 FHBQYFFVEYDZIC-UHFFFAOYSA-N 449.967 5.337 30 20 IKED N#C[C@H](C(=O)Cc1ccc2c(c1)OCCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103632 ZTVKFSNMBDZZSJ-OAHLLOKOSA-N 445.327 5.307 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2cccs2)n1)c1nc2cc(C(F)(F)F)ccc2s1 915103806 FVNNCIILSLIGGD-GFCCVEGCSA-N 449.504 5.919 30 20 IKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(F)cc1 915353644 VSSZLYDBSJPRPP-RPWUZVMVSA-N 439.494 5.126 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2ccccc2[N+](=O)[O-])cs1 916249506 UBVWUOABBQMBGL-UHFFFAOYSA-N 449.414 5.201 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3cccc(C)c3)n2)cc1 916949515 OSLHKWNTINQMTQ-HTAPYJJXSA-N 431.561 5.522 30 20 IKED COc1ccc2oc(C)c(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2c1 917044374 SNTFFKFXFFDSDV-CQSZACIVSA-N 430.407 5.868 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(-n4ccnc4S)cc3)c2)cc1 917344706 VCVRXGQPJJPRMZ-UHFFFAOYSA-N 440.528 5.058 30 20 IKED COc1ccc(C(=O)/C=C/c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1CC(=O)O 918713639 SBOXTQQKKHWZFF-BQYQJAHWSA-N 447.434 5.361 30 20 IKED Cc1nc(SCC(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)c2c(C)c(C)sc2n1 920106587 TXEZWPBVLUCBAB-INIZCTEOSA-N 448.573 5.090 30 20 IKED CCn1ncc2c(C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cc(-c3ccccc3)nc21 920106704 YGMCRTSJQFFNRS-HXUWFJFHSA-N 447.498 5.113 30 20 IKED Cc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(Br)c1 920142610 QYBYGFYBGPBJRO-BLGFXRMMSA-N 448.345 5.642 30 20 IKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCC[C@H]5CCCC[C@@H]54)CCC3)cc2)c1 1790146109 DVZCFPVADCRQMP-WTIAFYNJSA-N 444.579 5.241 30 20 IKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cc3ccc(F)cc3)cc2)[nH]n1 1822401235 GGFASLNARLSXNG-HSZRJFAPSA-N 446.526 5.022 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc(C(C)C)cs2)CC1 1824139349 LXKITVVZLFWKMU-QFIPXVFZSA-N 443.657 5.268 30 20 IKED Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)c1Cl 1830017463 WYAPTZJTJCKKQH-QHCPKHFHSA-N 449.982 5.067 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)c(Cl)cc3C)CC2)C1 1830781396 STIDKSXSXWKKJO-QFIPXVFZSA-N 449.422 5.501 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)NCCc2ccccc2)cc1 22735461 YSPZHLOTKNRFTA-UHFFFAOYSA-O 445.652 5.605 30 20 IKED CCN(CC)[C@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccsc1 32249804 GZESJKAIBIZQHN-OAQYLSRUSA-N 435.618 5.584 30 20 IKED C=CCN(CCc1ccccc1)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 62378332 SLJLNQDWXDDLPI-UHFFFAOYSA-N 429.520 5.210 30 20 IKED C=CCc1cc(CNC(=O)Cc2sc(C)nc2-c2ccc(C)cc2)cc(OC)c1OC 65064054 IIKIAOKLDQTRRH-UHFFFAOYSA-N 436.577 5.032 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3cccc(COC4CCOCC4)c3)c2)c1 237854776 GDWUGBWAHKTFGU-UHFFFAOYSA-N 442.559 5.123 30 20 IKED CCCO[C@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 303395509 PMWGNQVOOVZYCG-NRFANRHFSA-N 441.959 5.604 30 20 IKED Cc1ccc([C@H]2CSCCN2CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 303654732 LJRSHJQANJMCKE-GHTZIAJQSA-N 425.623 5.118 30 20 IKED C[C@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cc2ccccc2s1 410295946 FXEOSJPGWRDIML-HNNXBMFYSA-N 446.532 5.115 30 20 IKED COCc1nc2cc(NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)ccc2o1 431076252 DQNNEWQKKIHGOT-IBGZPJMESA-N 446.894 5.927 30 20 IKED C=CCOc1c(Br)cc(CNc2cccc3c2OCC[C@H]3N(C)C)cc1OC 433175099 MZDUHYKJHHCTGD-LJQANCHMSA-N 447.373 5.020 30 20 IKED Cc1cc(S(=O)(=O)Nc2ccccc2S[C@@H](C)CC#N)sc1Br 433511320 SLPXFSVNWWWRGC-NSHDSACASA-N 431.402 5.014 30 20 IKED C[C@H](NCc1ncn(Cc2cccc(F)c2)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 435991917 FQEUMBJLIQYCPA-LBPRGKRZSA-N 446.370 5.354 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@@H](Cc1cccc(Cl)c1F)C(C)=O 436182001 GFUSEGSTQZNMHL-IBGZPJMESA-N 445.947 5.128 30 20 IKED COc1cc(F)c([C@@H](C)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1OC 437037461 XGYZHAISDJMIJO-BDJLRTHQSA-N 439.371 6.206 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 438134167 XWYXIEFZPQROIV-MSOLQXFVSA-N 441.413 5.059 30 20 IKED Cc1ccnc(Oc2cc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)ccc2C)c1 438682997 SAGNDNNRVXJWRU-UHFFFAOYSA-N 442.519 5.438 30 20 IKED COc1ccc(COCc2cccc(NC(=O)N[C@H](CCC#N)c3ccccc3)c2)cc1 439369531 KIAPHFYBUCHNDK-RUZDIDTESA-N 429.520 5.579 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCC2(CO)CC(c3ccccc3)C2)cc1 447625024 UWTBZNPNLJQSPC-UHFFFAOYSA-N 442.584 5.137 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3ccc(Br)c(Cl)c3Cl)on2)c1 448342954 TYQWMWVFWQIPEW-UHFFFAOYSA-N 437.080 5.535 30 20 IKED C[C@H](NCc1nc2ccc(Br)cc2o1)c1ccc(-c2cccc(C#N)c2)cc1 463155806 PPKUWTHNVVWBEA-HNNXBMFYSA-N 432.321 5.980 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc3cc(C(F)(F)F)ccc3n2C)cc1 463162914 RNSPFAQLENCBLS-UHFFFAOYSA-N 441.453 5.264 30 20 IKED Cn1nc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)cc1C1CC1 464277221 USZCEVPJIQFSNY-UHFFFAOYSA-N 426.398 5.233 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1cc(C(F)(F)F)ccn1 464420304 MUVBBTQSLKAMJG-LBPRGKRZSA-N 442.249 6.021 30 20 IKED Cc1ccc(-c2cncc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)c2)cc1 466400225 ULTDOSRJKFJFBI-UHFFFAOYSA-N 443.557 5.325 30 20 IKED C=CCN(Cc1nc(C)c(-c2ccc(Cl)cc2)o1)[C@H](C)c1cccc(-n2cnnn2)c1 468268301 QNIOCKGGRZGMJC-QGZVFWFLSA-N 434.931 5.028 30 20 IKED N#CCCCN1C(=O)CCc2cc(NCc3ccc(-c4nc5ccccc5s4)o3)ccc21 469264678 YCHKTOHVPXIEAD-UHFFFAOYSA-N 442.544 5.751 30 20 IKED CC(=O)Nc1ccc(C(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1F 469834712 QFSCZZHLGNQQKV-INIZCTEOSA-N 436.327 5.226 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)NCC3CCC(c4ccccc4)CC3)ccc21 470531484 KZWAIMMSLBHQIV-UHFFFAOYSA-N 444.579 5.365 30 20 IKED Cc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c(-c2nc(C3CC3)no2)c1 471635425 JIYFPAVRJIFWSY-UHFFFAOYSA-N 437.459 5.234 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)N(CCC#N)Cc2ccccn2)c(C(F)(F)F)c1 473788098 OKQFSXUQYOHRGY-HNNXBMFYSA-N 436.503 5.939 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](c1cc(OC)cc(OC)c1)c1nccn1C 475565923 XVINTEOJQOFMDD-DEOSSOPVSA-N 448.567 5.200 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 476086987 ZAWNAYNDZSRPCY-UHFFFAOYSA-N 437.543 6.816 30 20 IKED CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C12CCC2 478599301 PXBQUUPGOVMOAF-DNQXCXABSA-N 433.552 5.143 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1 479515929 ZJTWQUWRVIBDHN-UHFFFAOYSA-N 436.540 5.515 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 480252023 MBLMTHFXSAUAMF-HSZRJFAPSA-N 441.487 5.757 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)n1 481277071 VVBKRFQKWADZMS-LJQANCHMSA-N 446.898 5.298 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F 481358555 JCWFKCCUUNYTFZ-GOSISDBHSA-N 430.421 5.134 30 20 IKED CCCOc1c(Br)cc(C(=O)[C@@H](C#N)c2nccc3ccccc23)cc1OC 483189643 BWNCGMJGWOYVDN-KRWDZBQOSA-N 439.309 5.285 30 20 IKED N#CCCC[C@H](NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1ccccc1 487456386 TUKFKAGJVTVSNP-NRFANRHFSA-N 439.968 5.469 30 20 IKED C=CCn1c(SCC(=O)N2CCCC[C@H]2C=C)nnc1-c1ccc(Cl)cc1Cl 488841299 PXFJYGZKJJNOLF-OAHLLOKOSA-N 437.396 5.097 30 20 IKED CCCC[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccc(OC)cc1 492489995 ODBAXYHMNJRLDR-QHCPKHFHSA-N 439.531 5.190 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)c1ccccc1-c1ccccc1C#N)O[C@H](C)C2 502345004 WVTNXFNKKRKAFV-LAMXGVLKSA-N 438.527 5.233 30 20 IKED N#C[C@@H](NC(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1cccc(Cl)c1Cl 505345871 UYIQRKVQUQSJGR-QGZVFWFLSA-N 434.323 5.103 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1 515648965 CBAKKPGZACNYKH-UHFFFAOYSA-N 442.902 6.497 30 20 IKED C[C@@H](c1c(F)cccc1F)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 516366522 KYHOALXNQSBVGK-KXBFYZLASA-N 439.893 6.499 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccnc(OCC(F)(F)F)c3)cc2)cc1 519053629 LGAYYCRNYYYBBU-UHFFFAOYSA-N 442.397 5.008 30 20 IKED COc1ccc(/C=C2\C[C@H](C)Cc3c2nc2ccccc2c3C(=O)N(C)C[C@H](C)C#N)cc1 519448256 CTJHZBCXWICOMW-CDDVYSJNSA-N 439.559 5.598 30 20 IKED C=CCOc1cccc(NC(=O)N2CCC[C@H]2c2cc(Br)ccc2OC)c1 523373195 BTAXZFAGEBQOSR-IBGZPJMESA-N 431.330 5.392 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](c3ccccc3C)[C@@H]3CCC[C@H](C)C3)CC2)o1 526004445 YILXEMLDDDTUCN-UQJUWTFNSA-N 434.584 5.063 30 20 IKED Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 533766382 KAZMCPZDNWEBNF-CYBMUJFWSA-N 440.491 5.613 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc4c3CN(c3ccccn3)C4)c2)cc1 533841658 PJEBKAXNGZSTIX-UHFFFAOYSA-N 431.499 5.469 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C3(c4ccc(F)cc4F)CCOCC3)cc2)cc1 534079716 KQPRJXOLIFSKGI-UHFFFAOYSA-N 434.442 5.316 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 534646158 JGYPCAFRLBTOAO-UHFFFAOYSA-N 426.432 5.230 30 20 IKED COc1ccccc1[C@@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccccn1 535548786 JWZWHESHFSMVPL-HHHXNRCGSA-N 449.510 5.060 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1ccc([S@@](C)=O)cc1 535972093 CIDDWBKSMZNEKO-HYHKQLJDSA-N 447.560 5.066 30 20 IKED COc1ccc2ccccc2c1-c1cc(CNc2ccccc2SC[C@H](C)C#N)on1 538652329 NKWPQXRSKWTENQ-QGZVFWFLSA-N 429.545 6.367 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnn(CCC(F)(F)F)c2)cc1Cl 541292827 CBMJBOAQTPDPRA-GOSISDBHSA-N 432.833 5.397 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](Cc1ccccc1)c1cccs1 541594119 QDMMWSWEBYXPOA-RXVVDRJESA-N 435.618 5.654 30 20 IKED N#Cc1cccc(-c2nnc(N3CCC(OCC4CCCC4)CC3)n2Cc2cccs2)c1 549576932 BBJRQTYKCJTHNV-UHFFFAOYSA-N 447.608 5.102 30 20 IKED CC1(C)C(=O)Nc2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)ccc21 555320262 CZNLQDJDWWLKFN-IBGZPJMESA-N 429.907 5.477 30 20 IKED Cc1cc(SC2CCCCC2)ccc1NC(=O)C(=O)N[C@H](CCCC#N)c1ccccc1 556624870 OVAVZFOVRAPBCH-XMMPIXPASA-N 449.620 5.910 30 20 IKED N#CC1(c2ccccn2)CCN(c2nc(C3CC3)nc3scc(-c4ccccc4)c23)CC1 558568026 AQWSJMZHSUHSBT-UHFFFAOYSA-N 437.572 5.692 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 570537945 RHDHQWZCCMYVJB-CQSZACIVSA-N 434.392 6.584 30 20 IKED Cc1ccc(-c2nc(Cc3noc([C@@H]4CCN(c5ccc(C#N)cc5F)C4)n3)cs2)cc1 576072022 SBGLXNJWJXMPCJ-GOSISDBHSA-N 445.523 5.097 30 20 IKED CCc1ccc([C@H](C#N)NC(=O)c2oc3ccccc3c2CSc2nnc(C)s2)cc1 583228539 MCLADBVWUNQGLK-IBGZPJMESA-N 448.573 5.442 30 20 IKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c12 592974362 VKINSBVEMOKDNB-MRXNPFEDSA-N 446.438 5.576 30 20 IKED CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CSc2cc(C#N)ccn2)cc1 603725253 DVBAAFGMRCANBU-UHFFFAOYSA-N 439.924 5.528 30 20 IKED N#Cc1c(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)sc2c1CCCCCC2 603996671 OCUDRSOKRXHYHV-UHFFFAOYSA-N 444.482 5.736 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)s2)o1 604003158 GTKJTLUPPDUZND-UHFFFAOYSA-N 443.528 5.917 30 20 IKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cccc(OCc2ccccc2C#N)c1 604519588 FYOFTJOHZQQRJZ-RPLLCQBOSA-N 440.543 5.377 30 20 IKED O=C(Nc1cnn(CC(F)(F)F)c1)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 605276290 ODISPJPJPZWGIL-UHFFFAOYSA-N 431.311 5.523 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H](c3ccccc3)[C@H]3CCCO3)c2)cc1 608841746 VDURIAJDHJYXGQ-FTJBHMTQSA-N 441.531 5.373 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)cc2)c1 609065032 SCPZRTIKWQCSDC-UHFFFAOYSA-N 434.499 5.453 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NCC3(c4ccccc4)CCOCC3)c2)cc1 609209265 YWVDLZHPMACVMT-UHFFFAOYSA-N 427.504 5.220 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 609358417 OWJRDTOZEKDXEU-UHFFFAOYSA-N 431.323 5.648 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(N2c3ccccc3C[C@@H]2C)CC1 609435570 YGSUDPGYNYDBOA-OALUTQOASA-N 434.609 5.528 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 609438981 QQFPPSKZRLTFPC-MRXNPFEDSA-N 446.979 5.223 30 20 IKED Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cc1Oc1ccncc1 609642506 LVRMPPYKMYJMRB-UHFFFAOYSA-N 425.410 5.259 30 20 IKED C[C@@H](Oc1ccccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccccc1 609652348 PXIBOZZAQIRJBF-LJQANCHMSA-N 438.483 6.123 30 20 IKED Cc1cc(S(=O)(=O)Nc2ccccc2SC[C@H](C)C#N)c(C)cc1Br 609733458 AQIMCAYFQJGIGS-GFCCVEGCSA-N 439.400 5.119 30 20 IKED N#C[C@@H](NC(=O)c1sc(-c2ccccc2)nc1C(F)F)c1cccc(C(F)(F)F)c1 611185530 BSBPVTAIXQWEDC-CQSZACIVSA-N 437.393 5.761 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)C2CCCC2)nnc1-c1ccoc1C 613908478 UTDKXYCUBMOIBO-QFIPXVFZSA-N 436.581 5.172 30 20 IKED C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Nc1cccc(C#Cc2cccs2)c1 672624249 URLIRVKPXWNTPF-QGZVFWFLSA-N 431.565 5.006 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)c3ccccc3n2)o1 679537120 XPTKNQFINXUEPD-IBGZPJMESA-N 436.496 5.812 30 20 IKED N#CCOc1cccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)c1 727745026 ZNRHRPYJGTWVFY-LFIBNONCSA-N 431.304 5.083 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)CCN2c3ccccc3Sc3ccccc32)c1 728013674 APVDTJYLZIGPHQ-UHFFFAOYSA-N 437.471 5.791 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)CCOc2ccc(CCC(C)=O)cc2)c1 728181771 BBEMQVCWDHYVPD-UHFFFAOYSA-N 431.557 5.253 30 20 IKED C#Cc1cccc(N(Cc2ccco2)C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)c1 728182379 NAYKGVCFPYDKHA-UHFFFAOYSA-N 446.591 5.440 30 20 IKED C[C@@H](NC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F)c1ccc(C#N)cc1 729572268 GHDPFQFPLKJFIM-CYBMUJFWSA-N 448.445 5.807 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(O[C@@H](C)c3ccccc3)cc2C)c1 733844634 RCEZLFAMWWKXCE-REWPJTCUSA-N 443.547 6.138 30 20 IKED CC(C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccc(COc2cccc(C#N)c2)c1 734593399 UARIERQQYZHFGB-LJQANCHMSA-N 442.515 5.445 30 20 IKED CC(C)OC(=O)NCc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 735026902 GIZAINZJOGLLOT-UHFFFAOYSA-N 443.503 5.024 30 20 IKED CC(C)c1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1[N+](=O)[O-] 741447137 HYCQFXAWHWXMQO-RIYZIHGNSA-N 427.522 5.331 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(SCC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 741845024 XOQHNVKEPSRHLA-VMPITWQZSA-N 427.400 5.163 30 20 IKED Clc1cccc(C=NOCc2ncc(-c3ccccc3Br)o2)c1Cl 742351474 YFVXPYGFQYZDSI-UHFFFAOYSA-N 426.097 5.962 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C 742630406 IUKDDEWMPWGRLE-OAQYLSRUSA-N 449.551 5.174 30 20 IKED Cc1cc(-c2ccccc2)ccc1NC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 743093600 DACXRABWMDWGBO-UHFFFAOYSA-N 426.520 5.139 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN(CCc2ccc(C)cc2)CC(F)(F)F)c1=S 743372420 YUKXKWYZIIAKQP-UHFFFAOYSA-N 447.530 5.035 30 20 IKED C[C@@H](Oc1cccc(C(=O)/C=C\c2csc(COc3ccc(Cl)cc3)n2)c1)C(=O)O 745021479 PLVUEERKQABZCC-JKEYDSJLSA-N 443.908 5.124 30 20 IKED C[C@H](Oc1cccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1)C(=O)O 745021489 PQPIFTWECGHRGO-RQPMMQJISA-N 449.890 5.340 30 20 IKED O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1cnn(-c2ccccc2)c1 746346695 GTMBCGSCTPHQMV-BUHFOSPRSA-N 427.891 5.674 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)CCc2ncc(-c3ccccc3Br)o2)n1 747198285 WLEDNCSUJHSPFN-CQSZACIVSA-N 444.354 5.493 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H](OC2CCOCC2)c2ccccc2)cc1 758409867 NQWKZPVARIFHOT-CLJLJLNGSA-N 426.516 5.217 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 761721865 QYMXDZCYEJTPPC-NIYFSFCBSA-N 441.531 5.078 30 20 IKED CC(C)(C#N)CCCCOC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1F 768672606 SYIAPVLZXOTSNX-CZAAIQMYSA-N 432.511 5.001 30 20 IKED C[C@H](OC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)N[C@H](C)c1cc2ccccc2o1 769544669 RUQURBINRIHHRL-MSOLQXFVSA-N 443.503 5.114 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccnc(OC2CCCCC2)c1 772647507 ZFGBZRSWERKBBB-GOSISDBHSA-N 445.491 5.069 30 20 IKED C=CCSc1ccccc1C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1Cl 776755146 MQWKGWJNLNCMEW-UHFFFAOYSA-N 438.984 5.855 30 20 IKED CC(C)c1cccc(C(C)C)c1NC(=S)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 779731479 SNJLLLSJMGCULO-JOCHJYFZSA-N 434.609 5.287 30 20 IKED C#CCn1ccc(CN(CC)C(=O)Nc2ccc(OCc3cccc(Cl)c3)cc2C)n1 788596566 IVOCLWSMOCZJPP-UHFFFAOYSA-N 436.943 5.111 30 20 IKED Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1F 790464278 MUAGUVQOFQOLQM-UHFFFAOYSA-N 427.379 5.319 30 20 IKED CC(C)(C)OCCCC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 795355054 WWXXDDVOHQWHOH-UHFFFAOYSA-N 425.476 5.158 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F 797417103 MJRGDFPQCHZJRJ-UHFFFAOYSA-N 441.977 5.085 30 20 IKED Cc1ccc(N2CCOCC2)cc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 797783630 UGSVWLPYHYABTI-UHFFFAOYSA-N 443.572 5.248 30 20 IKED N#CC1CCC(CNC(=O)C(=O)Nc2cccc(-c3ccc(Cl)c(Cl)c3)c2)CC1 799837664 XOQPVAXRNGPAJJ-UHFFFAOYSA-N 430.335 5.045 30 20 IKED CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(c2ccc([C@@H](C#N)c3ccccc3)cc2)C1=O 804204173 QUXGYQXINCXTLF-WIOPSUGQSA-N 429.907 5.357 30 20 IKED O=Cc1cc(Oc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cc(C(F)(F)F)c1 811860083 HIEWKSYVTBSYDL-UHFFFAOYSA-N 430.207 5.268 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)N[C@@H](CCCC#N)c3ccccc3)ccc21 814632970 DFVWACKZIBUCFU-QFIPXVFZSA-N 448.567 5.931 30 20 IKED CC(C)(C)c1ccc(OCc2nnc(S)n2N=Cc2ncc(C(C)(C)C)s2)cc1 814742068 XHXFKPAHROBVAP-UHFFFAOYSA-N 429.615 5.080 30 20 IKED C=CCOc1c(Br)cc(CNc2ccc(N(C(C)=O)C3CC3)cc2)cc1OC 815161095 ZBDYUXBRWRVRTH-UHFFFAOYSA-N 445.357 5.150 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(C(=O)N(CC)CC)c(Cl)c2)cc1OC 915170153 IYXKFPXFXJMUDL-LCYFTJDESA-N 442.943 5.047 30 20 IKED Sc1nnc(-c2ccccc2)n1N=Cc1cn(Cc2ccccc2)nc1-c1cccs1 916308008 XXUPANBKPCKYIU-UHFFFAOYSA-N 442.573 5.089 30 20 IKED C[C@@H]1CN(c2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2F)C[C@@H](C)O1 916414790 NWEXVXHRUCNVCJ-QZTJIDSGSA-N 429.495 5.230 30 20 IKED N#C[C@@H](C(=O)[C@@H]1COc2ccccc2C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997512 VHSHIPKSJUUSPX-BBRMVZONSA-N 429.328 5.544 30 20 IKED CCc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917043294 JYNZMHVYJQLNCM-MRXNPFEDSA-N 430.451 5.717 30 20 IKED N#C[C@H](C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1nc2cc(Cl)ccc2s1 917043474 IUTDYKLQYIVIQH-PIGZYNQJSA-N 448.356 5.282 30 20 IKED C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1ccc(C(F)(F)F)cc1 920108779 AKRQQRAPVBGFDJ-NHYWBVRUSA-N 426.797 5.339 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Oc2ccc(NC(=O)c3ccco3)cc2)c1 920111873 RDYZONHYFVWODE-UHFFFAOYSA-N 438.439 5.202 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccccc3Br)n2)cc1 920142314 UUMULGLPKIPHDQ-QGZVFWFLSA-N 436.334 5.253 30 20 IKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)CCc4cccc(C#N)c4)cc3)CCC2)c(C)o1 1786041279 LUEQZZSPKBYBHF-UHFFFAOYSA-N 441.531 5.149 30 20 IKED Cc1ccc(-c2ncccc2C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)S)CCC3)cc2)cc1 1788359876 YDGAFNBQIGTNPW-GOSISDBHSA-N 445.588 5.123 30 20 IKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)CCC#N)CCC3)cc2)[nH]c2c(Cl)cccc12 1788501890 NCJRQQZNYQCEBM-UHFFFAOYSA-N 434.927 5.181 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C)cn3)CCC2)cc1 1789453090 JUGKPTFFHXDZFR-DEOSSOPVSA-N 431.580 5.225 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3onc4ccccc34)CCC2)cc1 1789458228 RDCPKYQDAGGXDT-FQEVSTJZSA-N 429.520 5.344 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)/C(C)=C/c3cccs3)CCC2)cc1 1790563967 OIBSULMVUGQKSP-ODECOBMASA-N 439.581 5.086 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4ccccc4o3)sc2C1 1818324395 VBSCJGZCEDWWML-MRXNPFEDSA-N 437.565 5.108 30 20 IKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)[nH]n1 1822581901 CMCHQPLLWIDPRK-FQEVSTJZSA-N 448.592 5.432 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CSC2CCCC2)CC1 1823750676 DQMUAJMDJBXOMN-QFIPXVFZSA-N 434.690 5.274 30 20 IKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)c2ccc(Cl)cc2)CC1 1823977204 MUZCKYNTVQKCMG-GBXCKJPGSA-N 443.031 5.257 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2scnc2C2CC2)CC1 1825645800 SYUBJJIUJRIYJH-SFTDATJTSA-N 441.641 5.022 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc3ccccc3o2)CC1 1829068670 JYHDDIOSWMHKQZ-NRFANRHFSA-N 437.584 5.054 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC)cc2F)CC1 1829068833 SIGLTTJYJHOVIK-HSZRJFAPSA-N 444.591 5.060 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C3CC3)cc2)CC1 1830752233 XGUFSWMOCNGCQY-QFIPXVFZSA-N 430.539 5.009 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2c(ccc3ncccc32)s1 1847532781 YTDXMNGRQYPQLT-VXKWHMMOSA-N 445.588 5.033 30 20 IKED C=CCn1c(-c2ccc(F)cc2)nn(CN(C)Cc2nc3ccccc3s2)c1=S 16848062 YLXKOYFOLCNDQR-UHFFFAOYSA-N 425.558 5.105 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccoc1C 21134383 XNDUSRTUYJIRMC-LBPRGKRZSA-N 437.352 5.459 30 20 IKED C=CCn1c(SCc2noc(-c3ccc(OC)cc3)n2)nnc1-c1ccc(Cl)cc1 24046148 NGWCJZICBUAYMP-UHFFFAOYSA-N 439.928 5.135 30 20 IKED C=CCn1c(SC[C@@H](O)Cc2ccccc2)nc2scc(-c3cccs3)c2c1=O 29136052 YDBGVVYRDMWLFI-INIZCTEOSA-N 440.615 5.068 30 20 IKED CC[C@H](C#N)Oc1cccc(CNCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 236900719 OUERYIXIJSMEEB-RUZDIDTESA-N 440.522 5.649 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(Br)cc1C 303194057 MYTBYYQEKJCAGT-UHFFFAOYSA-N 435.321 5.769 30 20 IKED CC(C)Cn1ncc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c1-c1ccccc1 429119511 ZMDHBFZTJYHIFQ-KRWDZBQOSA-N 433.462 5.441 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(Oc3ccc(CO)cc3)cc2)c1-c1ccccc1 430292397 JANBLXSKLHREMB-UHFFFAOYSA-N 438.487 5.001 30 20 IKED N#Cc1cc(NC(=O)N(CCc2ccccn2)Cc2cccnc2)ccc1Oc1ccccc1 432602936 SKDMHYUFQLFOCD-UHFFFAOYSA-N 449.514 5.417 30 20 IKED COc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 437597432 BOBSOOSMWLCYPX-GOTSBHOMSA-N 427.504 5.791 30 20 IKED C[C@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC[C@@H]1c1ccccc1 437730056 BPANCYQMIWOUIG-IDISGSTGSA-N 439.559 5.989 30 20 IKED COc1cc([C@H](C)NC(=O)N[C@@H](CCC#N)c2ccccc2)ccc1OCc1ccccc1 438853416 PBQDAQKYIWYYCY-RDPSFJRHSA-N 443.547 5.679 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1 439689794 XEWUQZFNBXWMJR-CQSZACIVSA-N 436.899 5.325 30 20 IKED CCN(CC(=O)Nc1ccccc1SCC#N)[C@H](c1ccccc1)c1ccc(F)cc1 440313146 JDZDNUVPVPXKEG-RUZDIDTESA-N 433.552 5.491 30 20 IKED CSc1cccc([C@H](NCC(=O)N(C)C2(C#N)CCCCC2)c2cc(F)ccc2F)c1 462175537 KRVVJODLYCSEBP-QHCPKHFHSA-N 443.563 5.051 30 20 IKED CC[C@@H](C)N(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc(C(N)=O)cc1 463605625 WZEMBXYYTDIGOO-MRXNPFEDSA-N 447.922 5.548 30 20 IKED CSc1cccc([C@H](NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c2ccc(F)c(F)c2)c1 464115498 NKUJVPAGIDWKSI-WNSKOXEYSA-N 438.499 5.231 30 20 IKED Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)cc12 464419265 VATHDNJSRSTIHQ-KRWDZBQOSA-N 440.450 5.358 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 471272064 HOQARINPMFYWQL-UHFFFAOYSA-N 440.609 5.544 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 471761925 VMRGUPXACQYBKH-UHFFFAOYSA-N 437.547 5.222 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3cnn(-c4ccccc4)c3C(F)(F)F)CC2)cc1 473772983 NAFRJEXVEWZBDT-UHFFFAOYSA-N 437.425 5.084 30 20 IKED C=C(C)[C@H](NC(=O)c1cc(O)nc2c(Br)cccc12)c1ccc(F)c(F)c1 478912074 PBBZQAVQADCVPM-SFHVURJKSA-N 433.252 5.028 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(Cl)cc2)nnc1-c1ccccc1C 481338412 JAFTYMXIQYFVSC-MRXNPFEDSA-N 426.973 5.062 30 20 IKED O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccc(-c2cncnc2)cc1F 481678103 SCJUPXLYGADBEL-QGZVFWFLSA-N 443.322 5.335 30 20 IKED COc1ccc([C@H](NC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)C(F)(F)F)cc1 482328706 FWMNOZHOPUSKAL-CVEARBPZSA-N 438.343 5.431 30 20 IKED Cc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(OC[C@H]2CCCO2)c1 483352209 PMALVWHXIUBOSG-HSZRJFAPSA-N 428.488 5.469 30 20 IKED C[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(OC(F)(F)F)cc1 484881794 ZJPZABVWBUEZDV-CABCVRRESA-N 437.487 5.269 30 20 IKED Cc1c(C(=O)N[C@H](CCCC#N)c2ccccc2)cnn1-c1cccc(C(F)(F)F)c1 487589336 CLHPFNWXXQWLSJ-OAQYLSRUSA-N 426.442 5.365 30 20 IKED C=CCn1c(SC[C@@H](OC(C)C)c2ccccc2)nnc1[C@H]1COc2ccccc2O1 488302740 VPJRKUZSDBWNHF-FGZHOGPDSA-N 437.565 5.235 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)Nc2ccc(F)cc2OC2CCOCC2)cc1 488695607 LBAYGXTYSVPKHS-UHFFFAOYSA-N 445.494 5.244 30 20 IKED CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 495038490 ODMDNVSAOCTOBA-UHFFFAOYSA-N 433.895 5.196 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1nc(-c2ccncc2)cs1 497367817 UMNSLKULDLUSMX-MRXNPFEDSA-N 439.418 5.974 30 20 IKED C=CCn1c(SCc2nn(-c3ccccc3)c3c2CCC3)nnc1-c1ccc(OC)cc1 499343207 AVVPZOAHBSPPMX-UHFFFAOYSA-N 443.576 5.106 30 20 IKED N#Cc1cc(NC(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)ccc1OCC(F)(F)F 502203082 PQFUNRRSXPHVBB-WOJBJXKFSA-N 427.426 5.352 30 20 IKED COc1cc(C)c(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1OC 502480048 VTNBODICMWELGJ-UHFFFAOYSA-N 433.464 5.329 30 20 IKED CN(C(=O)Cc1ccc(NC(=O)Nc2cccc(OCCCC#N)c2)cc1)c1ccccc1 502653436 RWTJASQXOTUYQH-UHFFFAOYSA-N 442.519 5.219 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1 502794697 WJZPBZUXDGMYBD-UHFFFAOYSA-N 449.485 5.798 30 20 IKED CCCN(CCC)C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c1 503563098 QTNLYLJVWXTLSN-OAQYLSRUSA-N 431.561 5.562 30 20 IKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)c12 505323459 URKKGTUYIQAFAE-AWEZNQCLSA-N 440.381 5.510 30 20 IKED Cc1nnc(SCc2c(C(=O)N[C@@H](C#N)c3ccccc3F)oc3ccccc23)s1 505942208 GZSAZLYTOUHZAS-KRWDZBQOSA-N 438.509 5.019 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 509261807 DPVUUJCQMRZRCC-UHFFFAOYSA-N 449.432 5.214 30 20 IKED CCC(CC)N(C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)[C@H]1CCCc2cccnc21 511300935 LLLJLIKWNSGDBG-DEOSSOPVSA-N 427.552 5.156 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)[C@H]2CCCN(C3CCC3)C2)cc1 512921713 CNNMPMKQDVOHCA-QUCCMNQESA-N 448.567 5.134 30 20 IKED CN(C[C@H]1OCCc2ccccc21)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 513984181 ZKIYKHQVISIGDV-UKILVPOCSA-N 445.950 5.773 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)n1 514961309 UTZJQVZKSRBGDJ-SWLSCSKDSA-N 425.501 5.186 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1 515984142 CUPQOLFRBWNCHS-XMMPIXPASA-N 434.971 5.100 30 20 IKED N#Cc1ccccc1CSCCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 518038093 CBXTXXDXSVOIII-UHFFFAOYSA-N 431.492 5.025 30 20 IKED COCCn1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c2ccccc21 518871095 VANRNKZLUAEYEX-HNNXBMFYSA-N 437.471 5.179 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)cc1Cl 519105230 FPCVWYDGRBAMBL-VXKWHMMOSA-N 447.897 5.126 30 20 IKED CCCCCC(=O)NC1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 520197087 TVPMDULFXHCSKX-UHFFFAOYSA-N 434.540 5.043 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 521810413 NZYFJOMECHDONK-KRWDZBQOSA-N 443.016 5.520 30 20 IKED CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1 522522327 SXIOROJVCOVKLP-HKBQPEDESA-N 436.533 5.030 30 20 IKED N#Cc1ccc(NC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)cc1C#N 525661244 USBFHSLNNPZEEK-UHFFFAOYSA-N 427.460 5.860 30 20 IKED Cc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1C(F)(F)F 525856704 GPEGOBCJRKGOFU-UHFFFAOYSA-N 439.393 5.255 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 530406151 RPZDGGVBJDPQKC-UHFFFAOYSA-N 425.326 5.395 30 20 IKED COc1ccc(CNc2ccc(NC(=O)N3CCCCCC3)cc2)cc1OCCCC#N 533211491 YLDZMWNFWLNHSA-UHFFFAOYSA-N 436.556 5.398 30 20 IKED O=C(c1cc(OC(F)F)cc(OC(F)F)c1)N(Cc1cccs1)CC(F)(F)F 538415618 DSHJKGMPXCYXSB-UHFFFAOYSA-N 431.329 5.156 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](CC(F)(F)F)c1ccc(F)cc1 540376854 JQKYSUFZJVIDJW-KDOFPFPSSA-N 439.478 5.299 30 20 IKED C[C@@H](NC(=O)N(CCN(C)C)Cc1cccs1)c1ccc(-c2cccc(C#N)c2)cc1 541156687 KAVAKIYSTUYWAW-LJQANCHMSA-N 432.593 5.121 30 20 IKED C[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)N(c1nccs1)C1CCCCC1 542003377 VPQYWRVIYJVONY-ZDUSSCGKSA-N 439.528 5.880 30 20 IKED Cc1ccccc1NC(=O)[C@H]1CCc2ccccc2N1C(=O)c1ccc(Cl)c(C#N)c1 544424022 WPTDGMDBUZSYND-HSZRJFAPSA-N 429.907 5.120 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1 554260495 NZMHWFZWEAAARR-UHFFFAOYSA-N 433.556 5.878 30 20 IKED Cc1nc(C(C)C)sc1[C@H](C)N(C)CC(=O)Nc1ccccc1SC[C@H](C)C#N 559378041 IWLMJMWNEQOGSU-WBVHZDCISA-N 430.643 5.458 30 20 IKED C=CCn1c(SCc2c(C)cc(C)nc2OCc2ccccc2)nnc1-c1ccncc1 561434292 FRJOZAAGSLQYQH-UHFFFAOYSA-N 443.576 5.409 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)CC1 581081163 KOXVYLWQHCQCIA-ICSRJNTNSA-N 442.485 5.003 30 20 IKED Cc1cccc(-c2noc(CSCC(=O)Nc3ccccc3SC[C@@H](C)C#N)n2)c1 581446292 OBHXZDWGFZTLCY-INIZCTEOSA-N 438.578 5.169 30 20 IKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)Nc1ccc(CC#N)cc1)CC2 603650924 NUAVOWWBZORGLN-HSZRJFAPSA-N 433.533 5.011 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(CN4CCCCC4)cc3)cn2)c1 603692347 HZMAANZQIICKKC-UHFFFAOYSA-N 441.535 5.053 30 20 IKED Cc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1NC(=O)c1ccco1 603996490 TWFKSCXATZXXRH-UHFFFAOYSA-N 433.533 5.685 30 20 IKED Cc1ccc(C)c(OC2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)CC2)c1 604362060 FENYQHHVXNINNK-UHFFFAOYSA-N 442.519 5.438 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CCCO[C@H]3c3ccccc3)cn2)cc1 604428862 IQQYUBCKXUMOJT-RDPSFJRHSA-N 428.492 5.035 30 20 IKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1 604464629 FKNDANWPOJRGIH-HSZRJFAPSA-N 427.504 5.193 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N(CCC#N)C(C)C)cc12 608813773 BOQQJCAVZKIMBI-UHFFFAOYSA-N 435.380 5.526 30 20 IKED CC[C@H](c1ccccc1)c1nnc(SCCC(=O)Nc2ccc(C#N)c(Cl)c2)o1 609019349 QAEGIOVUUPROMN-QGZVFWFLSA-N 426.929 5.257 30 20 IKED COc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(Br)c1 609064981 VZIJMRSPXCXXGB-UHFFFAOYSA-N 437.293 5.161 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)CSCc1ccc(C#N)cc1 609186199 DDWGRDDRILVILT-CQSZACIVSA-N 425.554 5.240 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC(C)(C)c1nc(C)c(C)s1 609928858 DAVDHXIMIKYWHG-UHFFFAOYSA-N 434.565 5.576 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2ccoc2)n1 609967827 JPOPXZCPGFYEDS-UHFFFAOYSA-N 431.492 5.498 30 20 IKED Cc1ccc(-c2ncc(C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)s2)c(C)c1 610053963 CAHYPXXDUHIAGM-UHFFFAOYSA-N 427.533 5.353 30 20 IKED C=CCN(C(=O)c1sc(-c2ccccc2)nc1C(F)F)c1nc(C(=O)OCC)cs1 611185045 VACAWCGKDKLXNG-UHFFFAOYSA-N 449.504 5.214 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](Oc2cccc(F)c2)C1 612305256 VPVHJFCUCGKWHL-DEOSSOPVSA-N 445.494 5.270 30 20 IKED CCC(CC)(CNC(=O)c1c(Cl)cc(C#N)cc1Cl)c1ccc(OC)c(OC)c1 613133932 CRSVUDXVFSLUSU-UHFFFAOYSA-N 435.351 5.370 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1nc2ccccc2o1 614439850 ORSDKIBUNLRYJP-INIZCTEOSA-N 428.835 5.417 30 20 IKED Cc1cc(-c2noc([C@H](C)N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)n2)ccc1F 618453850 VGZVYSGPWQECRL-DRZSPHRISA-N 425.348 5.308 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CC)[C@H](C)C(C)C)c1 620708542 LXKMWSIGDOOYER-GOSISDBHSA-N 449.016 5.228 30 20 IKED COc1cc2c(cc1OC)[C@H](Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)CC2 630061543 XOVUSIVQJNZVBA-OAHLLOKOSA-N 437.355 6.093 30 20 IKED FC(F)c1nc(C2(NCc3ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc3)CCC2)no1 644836495 DZPIGQBRUMXTES-CYBMUJFWSA-N 445.310 5.048 30 20 IKED COc1cc([C@H](C)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1OC(F)F 675739031 UMALQRGZKIENGT-DLOVCJGASA-N 435.355 5.857 30 20 IKED Cc1cc(C(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)c(C)n1-c1ccc(C#N)cc1 728265168 FAFSAUVJXAGQQI-OAHLLOKOSA-N 433.462 5.202 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCCCOCc3ccccc3)cc2F)c1 728392722 OBTNFHNARCQQKR-UHFFFAOYSA-N 433.483 5.005 30 20 IKED CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 728466640 YVJLVQSITLWBLX-SANMLTNESA-N 439.559 5.857 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)cc1 729316928 PCWPKZUOAWZDEG-HSZRJFAPSA-N 427.891 5.832 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)c1 729553741 SYXKIGBWVPHCIH-AREMUKBSSA-N 436.515 5.289 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)c1 729570136 KNHVTYCIBHQXMQ-UGKGYDQZSA-N 443.588 5.285 30 20 IKED Cc1ccc(C(=O)N[C@@H](CC(=O)[C@H](C#N)c2ccc3ccccc3n2)c2ccccc2)cc1 729889982 GYDLVAJPKJJFFV-BVAGGSTKSA-N 433.511 5.281 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@H]1c1csc(-c2ccc(F)cc2)n1 731426452 BJWBNOQMQOXMFX-IBGZPJMESA-N 443.956 5.122 30 20 IKED COc1ccc(-c2ccc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)c(F)c2)cc1 733254187 UGIYKNAQKZSIPV-OAQYLSRUSA-N 439.284 5.258 30 20 IKED C[C@H](Oc1ccc(F)cc1Cl)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 733685948 RMGFYVJBQZPWBA-CMPLNLGQSA-N 436.842 5.525 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CCOc3c(Cl)cccc3C2=O)cs1 733748972 OZQJJLMALSXDQG-SDNWHVSQSA-N 442.899 5.669 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2cccnc2Sc2ccc(C)c(C)c2)c1 733773241 WGQTXPAFYAXVTP-HXUWFJFHSA-N 431.561 5.461 30 20 IKED CC(C)[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)NC(=O)OC(C)(C)C 734644738 UHFUAHMPNKVFCR-FGZHOGPDSA-N 436.556 5.013 30 20 IKED C=CCN1C(=O)N[C@H](c2cc(C)ccc2F)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 735026299 BBJAJYYZEHLJPA-HXUWFJFHSA-N 447.432 5.318 30 20 IKED COC(=O)NCc1ccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 735366798 ZDTOIDOJEFIRRX-NRFANRHFSA-N 448.910 5.495 30 20 IKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1csc(Cc2ccccc2F)n1 735593697 NGLYFBCHXDDVAZ-HNNXBMFYSA-N 448.306 5.141 30 20 IKED C=C(C)COc1cccc(NC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)c1 737832356 OFPPEPKQKVGRGU-DEOSSOPVSA-N 430.504 5.248 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cccc(-c2nc(C)cs2)c1 740528896 ATBHHAJZBYLDJR-MRXNPFEDSA-N 439.924 5.050 30 20 IKED N#Cc1ccc(-c2nnc(CSc3nn(-c4ccc(Cl)cc4)c(=S)s3)o2)cc1 741846820 JRUOINMUBHRXBA-UHFFFAOYSA-N 443.966 5.531 30 20 IKED C[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1nc(-c2ccc(Cl)cc2)no1 742940054 CGAYBIPNSVWBOU-HNNXBMFYSA-N 428.879 5.420 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 743152487 WTYXYFWBALVRLY-FGTMMUONSA-N 446.617 5.143 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 744028724 LSCWKCPUZNMIJS-XUVXKRRUSA-N 429.347 5.569 30 20 IKED C[C@H](CC(=O)c1cccc(F)c1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 744034302 GITNYWZTAFKXFR-ACJLOTCBSA-N 426.900 5.688 30 20 IKED C[C@H](C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1ccccc1C(F)(F)F 745310098 YZSDFSYZGADKED-HNNXBMFYSA-N 428.410 5.103 30 20 IKED C[C@H](c1cccs1)N(CC(=O)[C@@H](C#N)c1nc2ccccc2s1)Cc1ccccc1 746156328 IXKZPTPIUDQVSI-IEBWSBKVSA-N 431.586 5.797 30 20 IKED COc1cc(NC(C)=O)ccc1C(=O)/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1 747705624 PDRWWEXGRFAGEX-RAXLEYEMSA-N 448.906 5.455 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 749003397 LXXUFJCZFMJCJB-UHFFFAOYSA-N 430.577 5.627 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1ccc(OC(F)F)cc1 749103481 ZXNDWRVPRDEZLL-UHFFFAOYSA-N 445.304 5.575 30 20 IKED CCOC(=O)c1ccc(/C=C(/C(=O)Nc2c(CC)cccc2CC)C(=O)c2ccccc2)o1 751514695 OFTHNNIKMKEKQL-OQKWZONESA-N 445.515 5.486 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)c1 754108544 ZFFVYEWWEWBFQF-WOJBJXKFSA-N 441.959 5.022 30 20 IKED COc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1-c1ccccn1 754818243 NVKKYZDZGXVRST-SFHVURJKSA-N 440.286 5.025 30 20 IKED CCn1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(=O)c2cc(Cl)ccc21 757855172 MGQKSJQCNLDFNW-JOCHJYFZSA-N 441.918 5.583 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3cccc(OC(C)(C)C)n3)n2)cc1 758516969 JPPNPLUOZKFEPX-LJQANCHMSA-N 435.549 5.200 30 20 IKED COc1cc(C(=O)/C=C/c2ccc(OC)c(O)c2Br)ccc1SC(F)F 761008799 ARBYLNZSGMQDIT-ZZXKWVIFSA-N 445.281 5.383 30 20 IKED C[C@@H](Sc1nc2ccccc2s1)C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 762898896 ICONMJWXSRGBQU-OAHLLOKOSA-N 449.557 5.071 30 20 IKED CCS[C@H](C)c1noc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)n1 765910428 SQGIFOHQYZOVMW-OXQOHEQNSA-N 435.553 5.203 30 20 IKED CCn1c2ccccc2c2cc(C=Nn3cnc4ccc(Br)cc4c3=O)ccc21 767315084 SOPBDZHGAUEUDH-UHFFFAOYSA-N 445.320 5.169 30 20 IKED Sc1nnc(-c2cccc(Cl)c2)n1N=Cc1ccc2ccc(Br)cc2n1 771550486 QPRYYUVXFWGLAO-UHFFFAOYSA-N 444.745 5.080 30 20 IKED Cc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1NC(=O)OC(C)(C)C 772117224 GVDFHKLZJNEWJS-INIZCTEOSA-N 425.554 5.989 30 20 IKED N#Cc1ccc(CN2CCC(Nc3ccc(CC[C@@H](O)c4ccccc4)cc3)CC2)cc1 777676087 UGPSMUIKMBTGHA-MUUNZHRXSA-N 425.576 5.301 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCC4(CC3)OCCc3ccsc34)c2)s1 778673744 IYPCMQKONYOBIJ-UHFFFAOYSA-N 449.601 5.122 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1oc2ccccc2c1CSc1ccccc1F 780175584 GJWWKCOYVTWDNT-MRXNPFEDSA-N 446.503 6.407 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 780680444 FAXGMHMIKCZQOV-OAHLLOKOSA-N 448.350 5.497 30 20 IKED Oc1c(C=NOc2ccccc2C(F)(F)F)ccc(Cl)c1I 788722462 UGZLDWBELSOPBG-UHFFFAOYSA-N 441.574 5.082 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1nccc2ccccc12 792091067 IWOORXLXTOTIOY-IBGZPJMESA-N 437.446 5.796 30 20 IKED N#C[C@@H](C(=O)CCc1nc2cc(Br)ccc2s1)c1nccc2ccccc12 792096771 RAKBOMPJBSCSKK-INIZCTEOSA-N 436.334 5.416 30 20 IKED N#C[C@H](C(=O)CCCSc1ccc(Br)cc1)c1cnc2ccccc2n1 792113046 CHWDQBBLMJMKPH-INIZCTEOSA-N 426.339 5.141 30 20 IKED C=C(C)COc1cc(/C=C2/SC(=S)N(CCCCC(F)(F)F)C2=O)ccc1OC 794861047 CMZDEKWIPGEECC-GZTJUZNOSA-N 445.528 5.584 30 20 IKED C#CCN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 796652720 FMCFGRWAZKGHEP-UHFFFAOYSA-N 441.409 5.218 30 20 IKED Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)O[C@H](C)C(=O)Nc1ccccc1C#N 797882457 AWPDDABONXBXKJ-GFCCVEGCSA-N 444.274 5.013 30 20 IKED N#Cc1ccc(CNC(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)cc1Cl 802444569 ROPMMVNXZRSFIC-UHFFFAOYSA-N 445.950 5.072 30 20 IKED CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 806200970 QMAXCTRAMJQFRP-BJKOFHAPSA-N 448.567 5.255 30 20 IKED Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)OC[C@H](C#N)Cc2cccs2)cs1 810649906 WCKIMBXUYDTGHC-HNNXBMFYSA-N 428.554 5.522 30 20 IKED COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3cnn(-c4ccccc4)c3C)c2)cc1 818252165 FUSAVMQBRRKRIL-WJDWOHSUSA-N 437.499 5.338 30 20 IKED Cn1c(CSc2nc3ccccc3s2)nnc1SCc1cn2ccccc2c1C#N 821699739 FUCIAHOKYKWMEJ-UHFFFAOYSA-N 448.602 5.134 30 20 IKED Cc1nc(NC(=O)C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)sc1SCC#N 916089473 HBSCSVFLLUXLOE-IBGZPJMESA-N 433.562 5.013 30 20 IKED CC[C@H](C)c1ccc(N=C2NC(=O)[C@H](CC(=O)Nc3ccccc3C(F)(F)F)S2)cc1 916232731 PGKTVMJNXVOIJB-UGSOOPFHSA-N 449.498 5.467 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1 916906915 WIMCWAZSLCXQTM-MRXNPFEDSA-N 425.271 5.747 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/C(=O)c3c(O)ccc(F)c3[C@@H]2C)cs1 917560265 UNDXWNHWTOIFES-LKBVRNOZSA-N 442.899 5.709 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@H](C#N)c1nc2ccccc2o1 920115568 IDGQZHWJRMCLOX-CJNGLKHVSA-N 437.908 5.634 30 20 IKED COc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3ccc(C)cc3)s2)c(OC)c1 920483104 VVBYGBZKDUMQQC-UHFFFAOYSA-N 436.562 5.170 30 20 IKED N#Cc1cc(NC(=O)c2ccc3nc(O)[nH]c3c2)ccc1Oc1ccc(C(F)(F)F)cc1 1620605108 ZIUYSTBWITZOIX-UHFFFAOYSA-N 438.365 5.204 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccc(Cl)cc4[nH]3)CCC2)cc1 1785932309 ZJTZGGGWDROXBV-UHFFFAOYSA-N 434.927 5.119 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)C4CCC(C(F)(F)F)CC4)cc3)CCC2)C1 1786592771 OFDCYSDNEMWHAE-UHFFFAOYSA-N 434.502 5.455 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccsc4)CCC3)cc2)c1Cl 1790081679 KNKIALBCENIHJO-UHFFFAOYSA-N 449.963 5.264 30 20 IKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cccc4c3oc3ccccc34)cc2)CCC1 1791008660 UDCSPQKIJBTLKF-INIZCTEOSA-N 444.556 5.652 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ncc[nH]4)cc3)CCC2)cc1 1791252549 VLSANHNCKRIKIR-GOSISDBHSA-N 428.536 5.037 30 20 IKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(-c3ccccc3)cn3ccccc13)C2 1801637214 VKBSOKODHYIWPR-XBYSBRQOSA-N 441.575 5.070 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](CC)c2ccccc2)[C@H]1c1cccnc1 1806269771 QEQSMPOSUKEFOH-DSNGMDLFSA-N 447.623 5.274 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3sccc3[nH]2)[nH]n1 1819307740 YJTLTODPIBPDMI-HNAYVOBHSA-N 437.569 5.027 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/C3CCCC3)[nH]n2)c1 1823218765 WLEIYERJXRMIMB-IBZIQKAZSA-N 445.567 5.089 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(-c3ccccc3)n2)CC1 1827763026 GGZBYMYUNXYAMF-RLWLMLJZSA-N 445.607 5.194 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSc2ccccc2)CC1 1829067556 REAXBZFQUXUMGG-HSZRJFAPSA-N 442.669 5.391 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1829072294 WTZDIJFFXPKNHI-OFVILXPXSA-N 449.639 5.539 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1nc(-c2ccc(SC)cc2)cs1 60613503 RYBPFKYKJFFKPZ-UHFFFAOYSA-N 439.562 5.210 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1 97543258 LHFICNJUKZXJMT-QGZVFWFLSA-N 449.938 5.547 30 20 IKED COc1ccc2cc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)ccc2n1 303195844 NMQORAGRTZXNQT-UHFFFAOYSA-N 425.513 5.660 30 20 IKED CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1 303921611 TULILSPBCADPSO-UHFFFAOYSA-N 447.922 5.637 30 20 IKED C=CCN(C(=O)c1ccc(Cl)cc1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 428798758 CDCYOYFJAYNMQA-UHFFFAOYSA-N 446.981 5.008 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(CCC#N)c3-c3ccccc3)n2)cc1 429117917 WBKREULCFQCCPT-HXUWFJFHSA-N 437.528 5.386 30 20 IKED COc1cc([C@H](C)NC(=O)c2cccc(SCC#N)c2)ccc1OCc1ccccc1 429873351 PWYSNETYBPNNEK-SFHVURJKSA-N 432.545 5.381 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 435607344 OPHJCKSJJWMISW-VIFPVBQESA-N 441.372 5.731 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 438054131 XAZLWWAMCPOTAY-RBUKOAKNSA-N 445.588 6.639 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cc1F 438653334 CPQVLZOTTRHNEI-FQEVSTJZSA-N 435.455 5.296 30 20 IKED CCCc1c(NC(=O)N2CCC(c3c(F)cccc3F)CC2)cnn1-c1cccc(C#N)c1 439682898 RJVSDTSRHZPICF-UHFFFAOYSA-N 449.505 5.386 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N1CCCCC[C@@H]1/C=C/c1cccs1 442434654 FTOITFOGFQTQMZ-QFQMRYFISA-N 439.606 5.177 30 20 IKED C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446629953 XAGIBBPNSLKTIQ-TUJYPLEISA-N 440.975 5.130 30 20 IKED C[C@]1(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)OCCc2sccc21 460957445 MDDOFQMBCJLEGC-XMMPIXPASA-N 434.586 5.130 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N[C@@H](C)CC(F)(F)F 464254966 CKXYKLMZTPOUPM-LBPRGKRZSA-N 425.476 5.096 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Cl)cc1-c1ccccc1Cl 469285518 LEENVGJVVRTISY-UHFFFAOYSA-N 441.362 5.959 30 20 IKED O=C1C[C@@H](C(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c2ccc(F)cc2N1 474261433 ZHGFZGOLLHCLHW-GDBMZVCRSA-N 448.338 5.080 30 20 IKED N#CC[C@@H](CC(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccccc1 474905252 JJQCQPZEQHZFKX-URXFXBBRSA-N 426.495 5.120 30 20 IKED C[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 475032919 YYUUUBBRYVEQDM-QGZVFWFLSA-N 429.495 5.370 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)C[C@@H](CC#N)c1ccccc1)C(F)(F)F 476395828 GVYXKEJSCCRBCE-AUSIDOKSSA-N 440.469 5.296 30 20 IKED C=C(C)[C@@H](NC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)c1ccc(F)c(F)c1 477680458 MSZIMMCQAAJREF-MRXNPFEDSA-N 432.776 5.009 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 477711029 MTWDGHUKJPBSKO-UHFFFAOYSA-N 439.947 5.287 30 20 IKED CC[C@@H](C)n1ncc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1C 478861499 VTGGHKJUGVHQCE-GFCCVEGCSA-N 447.486 5.353 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nc2cc(F)cc(Cl)c2o1 479482479 WVQVHBQVDUJXST-NSHDSACASA-N 435.933 5.603 30 20 IKED C[C@@H](NC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1c(F)cncc1F 481325493 ZZCUUFVLAKSHTI-CLAHSXSESA-N 427.295 5.042 30 20 IKED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N(C)[C@H](C)c1ccc(-c2ccccc2)cc1 481401543 IIQXQFAIWJVASS-LJQANCHMSA-N 436.519 5.339 30 20 IKED C[C@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 482971745 AAOIGGDKHKCBAF-LJQANCHMSA-N 429.520 5.132 30 20 IKED N#C[C@@H](C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1nccc2ccccc12 483198314 LKCJWXPWLCKXLN-JOCHJYFZSA-N 425.469 5.784 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 484436658 KKNZOQBREDAWFJ-SFHVURJKSA-N 438.499 5.552 30 20 IKED CC[C@@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 485888850 LSEPZZDXWIPVEI-QHCPKHFHSA-N 427.504 5.289 30 20 IKED N#CCCN(C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)C12CC3CC(CC(C3)C1)C2 486593427 ZPKYGHCVCDZFEM-UHFFFAOYSA-N 435.955 5.852 30 20 IKED Cc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)cc1 488382085 UWFSCZBJIQURQL-SQJMNOBHSA-N 439.559 6.050 30 20 IKED Fc1cccc(F)c1-n1ccc(CN[C@H](c2ccccc2OC(F)F)C(F)(F)F)n1 491395047 IAPNDZNFSRDIEH-QGZVFWFLSA-N 433.327 5.145 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccccc1Nc1ccc(F)cc1F 494121058 WDIVGJSDTZWQRR-UHFFFAOYSA-N 434.446 5.328 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)CC2CCN(c3ccncc3)CC2)cc1 500130864 ASKHWDIWDMCLSB-UHFFFAOYSA-N 440.547 5.043 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 505308198 NUGZLLUINKAAFC-CYBMUJFWSA-N 434.304 5.203 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(Oc3ccccn3)cc2)cc1 505747661 NAACWOGQGLRZEN-UHFFFAOYSA-N 437.524 6.290 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)c2)c1 505980832 FXGSZVTYEKZRHM-QFIPXVFZSA-N 435.405 5.151 30 20 IKED CC(C)N(Cc1ccc(F)cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 509211209 MLNVNQZOVYVYHG-UHFFFAOYSA-N 430.483 5.392 30 20 IKED CCCNC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1Cl 509373152 OEGQJFWYYMPKEE-UHFFFAOYSA-N 447.922 5.183 30 20 IKED CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 510236661 NBYGSPDUUNOOJI-HRAATJIYSA-N 427.599 5.135 30 20 IKED COc1ccc(-c2csc3ncnc(N4CCC(Oc5cccc(C#N)c5)CC4)c23)cc1 511444108 JLZHUTROWGTXBW-UHFFFAOYSA-N 442.544 5.286 30 20 IKED CCc1cccc2c1OCC[C@H]2NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 513996444 IHIPKBSRFLYAEE-HSZRJFAPSA-N 440.503 5.018 30 20 IKED O=C(CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccccc1OC(F)F 514625244 FGCCAGMTOZHZPP-UHFFFAOYSA-N 428.279 5.376 30 20 IKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nnc(C(C)(C)C)o3)c2C#N)C1 515489681 QAZCKRDGJJAVTE-ZDUSSCGKSA-N 446.642 5.572 30 20 IKED Cc1nc(-c2ncccn2)sc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 515638694 IEYAFLDIRBSIDK-ZDUSSCGKSA-N 437.594 5.245 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1 516270331 SESNRAROVAZEPR-HXUWFJFHSA-N 443.915 5.890 30 20 IKED C=CCN(C(=O)[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@H](C)O2)c1nc2c(s1)CCCC2 517399498 GVSRBMDERITSFT-KVSKMBFKSA-N 438.593 5.067 30 20 IKED C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cc(Br)ccc1Cl 518241813 IAZNXWAZUXATSM-LLVKDONJSA-N 445.791 5.298 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ccccc1Oc1ccccc1 518260894 ZXMLIPOABDLABO-GOSISDBHSA-N 445.544 5.128 30 20 IKED C=C(C)CN1CCC(NC(=O)Nc2ccc(S[C@H](C)CC)cc2C(F)(F)F)CC1 519287126 VGZQPFPXQBDKAX-OAHLLOKOSA-N 429.552 5.758 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 519424266 WYQQFCVCALLOLF-INIZCTEOSA-N 437.952 5.054 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCCc3coc(-c4ccc(F)cc4)n3)cc2)c1 520197252 AZLMVFHJFGEQBH-UHFFFAOYSA-N 442.450 5.509 30 20 IKED CCCc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)C(C)C)cc1 520846947 QGQOMFKISGUBGE-WZONZLPQSA-N 437.609 5.343 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)NCc3ccc(-c4nc5ccccc5[nH]4)cc3)o2)cc1 521310768 OVNRXTWSVTVWSW-UHFFFAOYSA-N 448.482 5.204 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3cnn(-c4ccccn4)c3C(F)(F)F)c2)cc1 521495076 IODNZHPSYVPXBW-UHFFFAOYSA-N 449.392 5.202 30 20 IKED C=CCn1c(SCC(=O)c2ccc(OCc3ccccc3)cc2)nnc1-c1ccoc1C 521673234 ZFLAVPLSHJMMEC-UHFFFAOYSA-N 445.544 5.587 30 20 IKED CCN(CC)C(=O)[C@H](Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1ccccc1 523853849 XMLSGJYIBHFIIN-RUZDIDTESA-N 429.520 5.381 30 20 IKED CCS(=O)(=O)c1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 523879343 DTYWDYVKABVLHQ-UHFFFAOYSA-N 440.908 5.050 30 20 IKED C=CCn1c(SCc2nc([C@@H](C)OCC)no2)nnc1-c1ccc(C(C)(C)C)cc1 524239239 QVUKUXXTSBPHIP-OAHLLOKOSA-N 427.574 5.201 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)cc1 525053284 IABCMOFMUVSMSJ-UHFFFAOYSA-N 427.932 5.284 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCC2CCN(c3ccccc3)CC2)cc1 527185552 ZUXMCSNZOVZLQG-UHFFFAOYSA-N 441.600 5.497 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 531767395 LGOPLIYXRLDCPZ-UHFFFAOYSA-N 435.336 5.581 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(NC(=O)c2cccs2)c(C)c1 536248628 MMBPKKJIAAPRPS-UHFFFAOYSA-N 435.505 5.045 30 20 IKED CC(C)(C)c1cc(NC(=O)c2ccc(Br)cc2Br)c(C#N)s1 540274663 QCADIOKNXQIRAO-UHFFFAOYSA-N 442.176 5.695 30 20 IKED C[C@@H]1CC(=O)CC[C@@H]1C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 542153936 KGEMOJPSMUJVCX-ULOPGQLASA-N 449.313 5.449 30 20 IKED Cc1nc(C(F)(F)F)c(CN[C@@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)s1 546800381 AXFXVSXFOHXHGC-NSHDSACASA-N 438.315 5.762 30 20 IKED Cc1cc(Cl)c2ncc(C#N)c(NC3CCN(C(=O)CCc4ccccc4)CC3)c2c1 549264244 TVRQUZMELHGNFN-UHFFFAOYSA-N 432.955 5.104 30 20 IKED C=C(C)Cn1c(CC2CC2)nnc1N1CCC(c2nc(-c3ccccc3OC)cs2)CC1 549665522 OOCRTSRFTAVNNJ-UHFFFAOYSA-N 449.624 5.323 30 20 IKED C=CCOc1ccccc1CNC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 551601806 AJTPIGPHUKKIPX-QFIPXVFZSA-N 448.485 5.237 30 20 IKED C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 553612919 BUOHFEGMYNDOMT-LLVKDONJSA-N 432.901 5.136 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)[C@H](Sc2cc(F)ccc2F)c2ccccc2)CC1 554542019 BFLDZFAAHSHBFA-HSZRJFAPSA-N 449.526 5.277 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(c3cccc(F)c3F)CC2)cc1 556510364 GEXSGKIGEBSMQC-UHFFFAOYSA-N 439.506 5.191 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1nnn(Cc2ccc(C(F)(F)F)cc2)c1C 558815235 SYHXKLPZQVMNEE-UHFFFAOYSA-N 447.436 5.013 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 561216178 XCQOQSHNDKZZND-UHFFFAOYSA-N 446.478 5.452 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H](C)CC[C@H]2c2ccccc2OC)cc1 562142554 NEVCCEKGCQFLHA-YKSBVNFPSA-N 447.579 5.515 30 20 IKED N#Cc1ccc(CNCc2cccc(NC(=O)c3cccc(F)c3)c2)c(C(F)(F)F)c1 564407808 MNPLBWCFQZKQME-UHFFFAOYSA-N 427.401 5.258 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccccc3NC(=O)c3ccccc3)c2)cc1 569531861 OBYUHGPRWIXCPP-UHFFFAOYSA-N 432.483 5.806 30 20 IKED Cc1nn(-c2ccccn2)c(C)c1CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 572007126 PVXVZWVQYNEFSX-UHFFFAOYSA-N 425.511 5.097 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(c3cccc(F)c3F)CC2)cc1C 574012280 DXWFMWKLASETQJ-UHFFFAOYSA-N 448.517 5.379 30 20 IKED C=CCN(Cc1nc(-c2ccsc2)oc1C)S(=O)(=O)c1cccc(C(F)(F)F)c1 588666599 SOTZQMWWAVEXJX-UHFFFAOYSA-N 442.484 5.107 30 20 IKED C=C(C)COc1cccc(NC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)c1 589382442 DLYCUBJXRCKHPK-UHFFFAOYSA-N 435.545 5.176 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc(Cl)c1OCC(C)C 592973869 KRFBNSDCDNCNDU-AWEZNQCLSA-N 432.904 5.622 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)cn2)c1 603623351 IDDWQJMEVWSZJV-UHFFFAOYSA-N 440.484 5.312 30 20 IKED CN(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[C@@H]1CCCc2ccccc21 603829290 CGRVLGZTHBRREZ-LJQANCHMSA-N 435.578 5.243 30 20 IKED CCN(C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)[C@H](C)c1ccc(C#N)cc1 604343343 NZPUXBYJBIUAQQ-ZWKOTPCHSA-N 443.507 5.258 30 20 IKED N#Cc1cc(NC(=O)c2ccccc2Sc2ccc(Br)cn2)ccc1F 609102926 MYMNHTCAZNJRAJ-UHFFFAOYSA-N 428.286 5.258 30 20 IKED Cn1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(-c2cccnc2)n1 609163884 BNVJBUJHINEDAJ-FQEVSTJZSA-N 427.895 5.043 30 20 IKED COCCOc1c(Cl)cccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 609298095 DTNGIPMOMSWMRR-UHFFFAOYSA-N 440.858 5.421 30 20 IKED N#Cc1cccc(Oc2ccc(NS(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)cc2)c1 609428796 MQIAMWQQZKRFHP-UHFFFAOYSA-N 443.406 5.042 30 20 IKED CC(C)N(Cc1cccc(Br)c1)C(=O)Nc1ccccc1S[C@@H](C)CC#N 609435577 YTRQYRDVYCTQHY-INIZCTEOSA-N 446.414 6.286 30 20 IKED CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(C)c1 609502462 TZMVRSWNHJFBGY-IBGZPJMESA-N 441.531 5.634 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H](C)NC(=O)CC1CCCCC1 609525988 FHWNXQXXDVHUAN-LJQANCHMSA-N 435.543 5.014 30 20 IKED CC(=O)N1CCCc2cc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)ccc21 609724230 DVFPCSRRBKUIRR-UHFFFAOYSA-N 445.906 5.555 30 20 IKED Cc1csc(Sc2ccc(C(=O)[C@@H](C#N)c3nc4cccc(C)c4[nH]3)cc2[N+](=O)[O-])n1 609831144 AJDVMSYECASDNN-CQSZACIVSA-N 449.517 5.186 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 609967985 WQDDYQSZUHWUKG-UHFFFAOYSA-N 436.393 5.203 30 20 IKED COc1ccc(Nc2nc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cs2)cc1 610338078 ZKXPRIYJYUXARL-UHFFFAOYSA-N 443.488 5.207 30 20 IKED CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 611838703 DLBOLEDQDYZBAI-UHFFFAOYSA-N 433.821 5.080 30 20 IKED N#C[C@@H](C(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)c1ccc2ccccc2n1 613290741 KVOQWZVFVIFVPF-HXUWFJFHSA-N 434.524 5.698 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2cccc(Cl)c2)n1)c1nc2cc(C(F)(F)F)ccc2s1 617898147 MZIOESSOIHXPOJ-AWEZNQCLSA-N 446.841 5.644 30 20 IKED Cc1c(F)cccc1C(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517247 DQRKECUUAICXBO-KRWDZBQOSA-N 435.339 5.385 30 20 IKED CC(C)(C)Oc1cc(F)ccc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 678017809 FJZGBFPFBVORJT-QWRGUYRKSA-N 430.364 5.598 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)nc3c2cnn3[C@@H](C)CC)cc1 726321486 KITKWLCSRAVROO-WJPUGNRLSA-N 431.540 5.185 30 20 IKED COc1ccc(NC(=O)/C=C\c2ccccc2C#N)cc1OCc1ccc2ccccc2n1 728009096 OLEHIDQDGSGPTG-PTNGSMBKSA-N 435.483 5.346 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(C2CCC2)C1=O)Nc1ccc(F)cc1F 730460827 GMRLBTFBXWDKMA-SFHVURJKSA-N 449.910 5.131 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 731331513 HUAXWUZLHHQRCJ-UHFFFAOYSA-N 432.392 5.036 30 20 IKED N#Cc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)nc1 731988797 GPOVVJUJGXBVPG-UHFFFAOYSA-N 429.277 5.183 30 20 IKED CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)Cc1ccc(OCC#N)cc1 732060963 DESLNSPKFXIECK-UHFFFAOYSA-N 442.437 5.459 30 20 IKED CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)cc2C1 732436349 QIVVAHVJEZJCTE-UHFFFAOYSA-N 446.551 5.048 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)/C=C(/C)c2ccc(C(F)(F)F)cc2)ccc1OC 733231144 ZFNIPZCJLHSWDZ-HVEPWOEZSA-N 432.442 5.115 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](COc2ccccc2F)c2ccccc2)c1 733847331 CUJWQKWAANEULZ-QPPBQGQZSA-N 447.510 5.126 30 20 IKED C=CC[C@@H](NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1ccncc1 734360914 NVZZKCYGNJZVBA-HXUWFJFHSA-N 431.586 6.031 30 20 IKED C=CC[C@@H](NC(=O)NC[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12)c1ccncc1 734652314 KYLOBCBVNYSWEO-UKILVPOCSA-N 440.547 5.320 30 20 IKED N#Cc1ccc(-c2cccc(CNCc3csc(-c4cccc([N+](=O)[O-])c4)n3)c2)s1 740014118 MRYXSDOEFUNODG-UHFFFAOYSA-N 432.530 5.608 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)OCC(=O)Nc1c(C)cccc1C(C)C 740327218 IKBJIMOFVVQZQJ-UHFFFAOYSA-N 435.442 5.498 30 20 IKED Cn1ccnc1C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 743092862 FPGPDELJCVAJJH-RPBOFIJWSA-N 435.531 5.181 30 20 IKED N#Cc1cc(NC(=O)c2sc3cccc(Cl)c3c2Cl)ccc1N1CCC(O)CC1 743732813 RCBPNUGJSOMUGN-UHFFFAOYSA-N 446.359 5.293 30 20 IKED Cc1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c2ccccn12 744036212 WWEYNXCIOXUOPY-CQSZACIVSA-N 427.316 5.563 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)/C=C/c3ccc(-c4ccc(F)cc4)s3)o2)c1 744545115 GRDJIFQUOYMVCZ-PKNBQFBNSA-N 431.448 5.232 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)cc(OC)c1OC 748649902 LAXOJKMBNJLUSG-UHFFFAOYSA-N 434.561 5.309 30 20 IKED CCCOc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(CC)cc3)cs2)cc1 750392070 LOXUZDBCNZOEJB-HXUWFJFHSA-N 433.533 5.122 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 752047052 YXFUQRASDRSGPC-ZNZIZOMTSA-N 436.511 5.053 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCCCC[C@H]2C[C@H](O)c2ccco2)c1 752101468 MQMAJOKYCCBMOA-ZCYQVOJMSA-N 444.531 5.239 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCCCc2ccc(Cl)c(Cl)c2)cc1OC 753534000 RFARDWBBOCAYNL-INIZCTEOSA-N 449.334 5.071 30 20 IKED C[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)[C@@H](C)c1ccccc1C(F)(F)F 754486906 ZQFGCDPMJKBRIS-RVKKMQEKSA-N 438.453 5.024 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cccc([N+](=O)[O-])c1Br 758090407 FKKNYOYUQDIEIF-UHFFFAOYSA-N 428.267 5.210 30 20 IKED CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)C1 759219642 ZJECUYHLUBDISA-AEFFLSMTSA-N 425.554 5.024 30 20 IKED CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)[C@H](C#N)c1nc2ccccc2o1)OCC3 759240665 USCJRXOXZVCDNJ-SIBVEZHUSA-N 427.504 5.316 30 20 IKED COc1ccccc1[C@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccccn1 759599438 WSQFMDOCXZSHJT-VWLOTQADSA-N 437.455 5.096 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl 760021384 PRTVYDUQYJHSSJ-GOSISDBHSA-N 429.952 5.140 30 20 IKED COC(=O)C1C/C(=C/c2ccc(O)c(Cl)c2)C(=O)/C(=C\c2ccc(O)c(Cl)c2)C1 761486536 QELZAQZXMXMVNB-LRSUZXNRSA-N 433.287 5.024 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl 761628160 HOJHPTCDYBCVCW-HNNXBMFYSA-N 435.380 5.315 30 20 IKED N#C[C@@H]1C(CN2CCc3ccccc3[C@H]2Cc2ccccc2)=CC(=O)n2c1nc1ccccc12 761765062 HBVCENFRVXOIDP-SHQCIBLASA-N 444.538 5.066 30 20 IKED COc1cccc(-c2nc(/C=C/C(=O)c3ccc(N4CCOCC4)cc3Cl)cs2)c1 762438104 KTBZOPHHLOQTPG-VMPITWQZSA-N 440.952 5.205 30 20 IKED CCc1ccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccc(C(C)(C)C)cc2)cc1 762445531 QNDJUISAPMGXLU-UHFFFAOYSA-O 442.608 6.029 30 20 IKED C=CCn1c(-c2cccc(OC)c2)nn(CN2CCC[C@@H]2c2ccccc2OC)c1=S 764974061 WCXLHASRJSUMOW-OAQYLSRUSA-N 436.581 5.079 30 20 IKED O=C(/C=C\c1ccccc1OCc1ccccn1)c1ccc(N2CCOCC2)cc1Cl 768842902 ZUUKSDLAJZPMPW-FLIBITNWSA-N 434.923 5.047 30 20 IKED N#CCCCn1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)c2ccccc21 769547097 SJYOFKOTMFRNFC-UHFFFAOYSA-N 430.291 5.047 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2CCCC[C@@H]2c2ccc(F)cc2F)c1=S 769854640 UXJWOYZQDHFXJI-HXUWFJFHSA-N 427.524 5.125 30 20 IKED COc1ccc2nc(C)c(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2c1 770108985 BXMABLADSXNIMR-MRXNPFEDSA-N 441.434 5.670 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2cnn(-c3cc(C)ccc3C)c2C)ccc1OC 772987442 VQIPBPVYORFIBE-SIKLNZKXSA-N 432.568 5.338 30 20 IKED C[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1cc(F)c(Cl)cc1Cl 774810065 OTNMUFZBCAQCQS-SMDDNHRTSA-N 429.282 5.020 30 20 IKED CC[C@H](NCc1ccc(OC)c(O[C@@H](C#N)CC)c1)c1cc(F)cc(Br)c1 776164586 JEFAPSUZDYWNHU-MOPGFXCFSA-N 435.337 5.519 30 20 IKED CCN(C(=O)Cc1ccccc1CC#N)[C@@H](c1ccc(Br)cc1)c1cccnc1 776920040 LROZYNVFFWUIMG-DEOSSOPVSA-N 448.364 5.091 30 20 IKED C[C@@H](NC(=O)[C@H](C#N)C(=O)c1cnc(-c2ccccc2)s1)c1ccc(Cl)cc1Cl 787054855 XXSAHVHTXMECHV-MLGOLLRUSA-N 444.343 5.317 30 20 IKED COc1cccc(C(=O)/C(=C\c2ccc(-n3ccc(C(F)(F)F)n3)cc2)c2ncc[nH]2)c1 787169879 RCOUQVQNBBFYND-CPNJWEJPSA-N 438.409 5.046 30 20 IKED CCCn1c(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc2ccccc21 787874403 ZIQJGWSHXQDXQV-QGZVFWFLSA-N 435.549 5.241 30 20 IKED CN(CCC#N)c1ccc(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1 790622633 LDVMHNCLMBXHRX-HSZRJFAPSA-N 431.502 5.313 30 20 IKED N#Cc1ccc(-c2nnc(CSc3nc4c(Br)cccc4s3)o2)cc1 794452188 TXLCQOWZLMCMGO-UHFFFAOYSA-N 429.324 5.273 30 20 IKED CCCCCCOc1cc(C)ccc1CNC(=O)N1CCC(C#N)(c2ccccn2)CC1 799946060 UTLNPWZPNGPDQO-UHFFFAOYSA-N 434.584 5.116 30 20 IKED COC(=O)Nc1cccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 806211723 GAQIMDMHRXYVCW-OAQYLSRUSA-N 448.910 5.495 30 20 IKED COc1ccc(/C=C/c2ccc(OC(=O)CCc3c(C)nn(CCC#N)c3C)cc2)cc1 813221889 YBOPEKCWWPWUNE-AATRIKPKSA-N 429.520 5.131 30 20 IKED C=CCn1c(Cc2ccccc2)nn(CN(C)Cc2ccc(Br)cc2)c1=S 915205778 AXFAVKZHBNZEIX-UHFFFAOYSA-N 443.414 5.043 30 20 IKED COc1ccc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c2ccccc12 915945836 XKDXPBHOZFTNLI-UHFFFAOYSA-N 425.513 5.477 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1 916681638 VIXQIBHSBNJMDE-QFIPXVFZSA-N 440.934 6.067 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 916908114 YNDZSBVBKKFJKB-GOSISDBHSA-N 441.399 5.094 30 20 IKED C=CCn1c(Sc2nn3cc(-c4ccccc4)nc3s2)nnc1-c1ccc(OC)cc1 917028478 RKPPEMKFEFPAQS-UHFFFAOYSA-N 446.561 5.062 30 20 IKED N#C[C@H](C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1nc2ccccc2n1C(F)F 917040275 JQITVBSNCJGCAY-BZUAXINKSA-N 448.498 5.967 30 20 IKED N#C[C@@H](C(=O)c1sc2cccc(F)c2c1COc1ccccc1)c1nc2ccccc2o1 917510210 WSMPQGSSZQHLEZ-INIZCTEOSA-N 442.471 6.251 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCC(=O)c3ccc(CC(C)C)cc3)n2)cc1 920139308 QWDHYKNMLXEUKO-QFIPXVFZSA-N 446.572 5.857 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc4nc(C)ccc4o3)cc2)CCC1 1788322468 ZOINIZHCPTXAGK-UHFFFAOYSA-N 445.563 5.876 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4c(C(F)(F)F)coc4C)cc3)CCC2)C1 1788786526 PTQVOITXZIRJNF-UHFFFAOYSA-N 432.442 5.321 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cnc(Cl)c(Cl)c4)cc3)CCC2)C1 1789738135 ZQZNPAOMSXDMLY-UHFFFAOYSA-N 430.335 5.102 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3c(Cl)ccc(Cl)c3O)cc2)CCC1 1790760979 ZABKQBPXORCCLM-UHFFFAOYSA-N 445.346 5.250 30 20 IKED Cc1ccc(CSCCC(=O)Nc2ccc(C3(NC(=O)C4(C#N)CC4)CCC3)cc2)cc1 1791501368 CTEOWIKJGKOCLO-UHFFFAOYSA-N 447.604 5.056 30 20 IKED CCCCCc1ccc(CC(=O)Nc2ccc(C3(NC(=O)CCC#N)CCC3)cc2)cc1 1791503295 RSPAANCQTHLQEF-UHFFFAOYSA-N 431.580 5.400 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccnc3ccccc23)n[nH]1 1818441490 UJAIBFCJOGJIJG-JOCHJYFZSA-N 445.567 5.256 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cnc2Cl)CC1 1826189861 GJUFZDZMXXAHSH-NRFANRHFSA-N 446.035 5.269 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1831376022 HWWSSQKQNNVXMI-VGOFRKELSA-N 442.003 5.267 30 20 IKED Cc1ccc(C2(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)CCC#N)CC3)CCCCC2)cc1 1832026338 RRYKUOKZVJYYQG-RUZDIDTESA-N 449.639 5.120 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cc3c(Cl)cccc3s1)C2 1844356283 LIBNFSHSXUDDMK-UHFFFAOYSA-N 431.001 5.364 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(F)ccc1F)=C(/S)Nc1ccc(F)cc1F 22727183 QPIZFIJVQVGVBT-UHFFFAOYSA-O 433.450 5.144 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)[nH]c1C)=C(/S)Nc1ccc(Cl)c(Cl)c1 23603253 LQCOSOHJRJQQMG-UHFFFAOYSA-O 447.411 5.839 30 20 IKED C=CCN(Cc1cccs1)C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 24638872 PIQSVJRTAJMHRL-UHFFFAOYSA-N 431.564 5.401 30 20 IKED Cc1nc(C)c(C#N)c(S[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)n1 25246521 NAOBPJCMHNPANQ-IBGZPJMESA-N 442.466 5.456 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)n1 26144761 PPXNCFBEJRCMMC-OLZOCXBDSA-N 433.455 5.385 30 20 IKED CCOC(=O)c1ccc(C#N)c(S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)n1 58558498 PDZXZFGHFRPLHV-QFIPXVFZSA-N 445.544 5.219 30 20 IKED C[C@@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)Nc1ccccc1C(F)(F)F 72030853 SYCUCOXYKJMEMP-OAHLLOKOSA-N 425.410 5.808 30 20 IKED O=C(Nc1cc2ccccc2cc1/C(O)=N/c1nc(-c2ccccc2Cl)n[nH]1)C1CC1 97576545 UQDCUEZXSCUNTI-UHFFFAOYSA-N 431.883 5.263 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2cc(C)c(C)cc2C)nnc1[C@H]1COc2ccccc2O1 115027524 WZEGZPUZBYEPMI-PGRDOPGGSA-N 449.576 5.265 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CN[C@H](C)c2cccc(C#N)c2)cs1 237494999 FAROWIHBCTXPKQ-CQSZACIVSA-N 444.482 5.569 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 302952443 DHHVLDKAKSXYPX-NRFANRHFSA-N 444.510 5.044 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3C[C@H]3c3ccc(Br)cc3)s2)cc1 303063030 YVPGHZNDNIPGNO-OALUTQOASA-N 438.350 5.110 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Sc1ccc(Br)cc1 303306726 PSVBWNPWYBABMM-ZIAGYGMSSA-N 435.412 5.820 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCS[C@H](C)[C@H]1c1ccccc1 303729108 UPLPHJHRDZXLEC-PNCHPQGNSA-N 425.623 5.055 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@@H](CCCO)c3ccccc3)cc2Cl)c1 303847024 JWQLPVNSOIYLHP-QHCPKHFHSA-N 449.938 5.426 30 20 IKED N#CCCSc1ccccc1NC(=O)[C@H]1C[C@@]12CCc1cc(Br)ccc12 409675240 IYFJLCLUAUSWGO-DYESRHJHSA-N 427.367 5.297 30 20 IKED C[C@H]1CCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C4)C3)CC1(F)F 427676882 CUOOQNJCPVWRNU-KCEHJNCXSA-N 447.410 5.612 30 20 IKED COc1ccc(CN(C(=O)c2cccc(SCC#N)c2)c2ccc3nc(C)[nH]c3c2)cc1 430946647 XCNVBUYWIJKMRV-UHFFFAOYSA-N 442.544 5.343 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1cccc(OCC(F)(F)F)c1 431451391 SOMKYQBKFPVPCL-UHFFFAOYSA-N 439.327 5.297 30 20 IKED CCCc1c(NC(=O)c2occc2COc2cccc(C#N)c2)cnn1-c1ccc(C)cc1 432561883 ZNNSXIVRFVRELB-UHFFFAOYSA-N 440.503 5.429 30 20 IKED CN(C)C(=O)Nc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(Cl)c1 435366224 ZWPBZKBHCCFMDI-UHFFFAOYSA-N 448.910 5.136 30 20 IKED CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 437037704 CLNUFSBORBQNRM-OAQYLSRUSA-N 443.522 5.084 30 20 IKED COc1ccccc1C[C@H](C)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 437746998 NQJJRAKNEFOLEI-FQEVSTJZSA-N 443.547 5.435 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]1c1cccc(C)c1C 437972444 RWRFJBOARAQBOO-MHZLTWQESA-N 439.559 6.432 30 20 IKED CSc1ccc(-c2nsc(NC(=O)c3ccc(COc4ccccc4C#N)o3)n2)cc1 440463520 HCECZCAVFHBZHQ-UHFFFAOYSA-N 448.529 5.223 30 20 IKED C=CCC[C@H](NC(=O)N(C)Cc1ccc([S@](C)=O)cc1)c1ccc(C(F)(F)F)cc1 441532222 GKNCGLRGHZSMNH-WRGVRERRSA-N 438.515 5.292 30 20 IKED C[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C1 441759023 JCDAORNVZAEHCY-PBHICJAKSA-N 445.441 5.003 30 20 IKED CCN([C@H](c1ccc(Cl)cc1)c1ccccn1)S(=O)(=O)c1cccc(Cl)c1C#N 443068743 HZDZZFYCYWNOHA-OAQYLSRUSA-N 446.359 5.060 30 20 IKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cn(CCCC#N)c2ccccc12 444037622 GKFZAEOHBRVKDJ-UHFFFAOYSA-N 436.515 5.758 30 20 IKED Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cn(CCCC#N)c2ccccc12 444145586 OMBJUSQXDWCFBX-UHFFFAOYSA-N 432.593 5.055 30 20 IKED CC[C@H](c1ccccc1)c1nnc(NC(=O)c2cn(CCCC#N)c3ccccc23)s1 444173259 CJQOWXCDCZEAFO-GOSISDBHSA-N 429.549 5.591 30 20 IKED CC(=O)N(c1nc(CN2CCCC(C)(C)[C@H]2C#N)cs1)c1c(C)cc(C)cc1Cl 444738998 ZLQOJBGRUVVWCE-LJQANCHMSA-N 431.005 5.612 30 20 IKED COc1ccccc1[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1cccs1 461494095 ILFPHDADZKIHLQ-QFIPXVFZSA-N 441.560 5.277 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N(C)S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 462483521 FKTWQZHVUNKRHC-INIZCTEOSA-N 440.952 5.269 30 20 IKED Cc1cc(F)cc2c(N3CCC([C@H]4C(=O)Nc5cc(Cl)ccc54)CC3)c(C#N)cnc12 462800610 CTGFCWHBUFHLBZ-OAQYLSRUSA-N 434.902 5.160 30 20 IKED N#Cc1cnc2ccc(Cl)cc2c1N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 462816671 MYKLMIVAMCWJAH-OAHLLOKOSA-N 433.874 5.333 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 463988725 HAIXJORLGYZYIT-UHFFFAOYSA-N 443.931 6.013 30 20 IKED N#Cc1cccc(OCCCCC(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c1 466271578 LHYHBAIMVBEFDN-NRFANRHFSA-N 445.588 5.153 30 20 IKED COC(=O)c1nc([C@@H]2CCCN2C(=O)Nc2ccccc2C#Cc2ccccc2)sc1C 467962461 DZNFKRAHSOFKKS-NRFANRHFSA-N 445.544 5.007 30 20 IKED CSc1nc(C2CC2)nc(C)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 468438603 MGRLIRAXRRBQSX-IBGZPJMESA-N 448.979 5.946 30 20 IKED COc1ccc([C@H]2CCCC[C@H]2Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1F 469260511 SNOCRYOYMZVVNJ-FYYLOGMGSA-N 435.543 5.556 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 476153154 MTVVUSIGGHWDRA-PMERELPUSA-N 430.618 5.121 30 20 IKED Cc1nc2ccccc2n1C1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 477427479 YXTBRGNAYVNORV-UHFFFAOYSA-N 436.515 5.486 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(-c3cccnc3)ccc2C)cc1C 477575531 VEIZRRAUDYQHNY-UHFFFAOYSA-N 435.531 5.703 30 20 IKED Cn1cc(-c2cc(F)ccc2NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cn1 477698103 VZBCGEDDFZMMCX-UHFFFAOYSA-N 428.492 5.501 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4cncnc4)cc3F)cc2Cl)cc1 478065886 MOAGHYJTBDKPNR-UHFFFAOYSA-N 444.853 5.852 30 20 IKED Cc1c(C(F)(F)F)nn(C)c1NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 480107412 WSBRPUSTAVKBDS-LLVKDONJSA-N 448.289 5.191 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)nnc1-c1ccncc1 481350225 SYYCCJFYNJODFC-LJQANCHMSA-N 449.624 5.084 30 20 IKED N#Cc1ccc(SCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1 482015122 KTJDYLSDFVAPHC-UHFFFAOYSA-N 444.379 5.099 30 20 IKED C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482429373 XCZZVDMUACOVAM-JIMOISOXSA-N 434.327 5.264 30 20 IKED CCCOc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c(OC(C)C)c1 482571474 BLVPWBNDPOSCNB-KRWDZBQOSA-N 427.451 5.497 30 20 IKED C=CCN(C(=O)Cc1c(C)noc1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 483177332 IUJJLPWJLMPDAA-UHFFFAOYSA-N 429.545 5.844 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1nc(-c2cc3ccccc3o2)cs1 483343035 DWWQCXVNXIVVGO-UHFFFAOYSA-N 430.533 5.548 30 20 IKED N#Cc1cc2c(nc1NC(=O)CCc1ncc(-c3ccc(Cl)cc3Cl)o1)CCCC2 484162301 KJNLPQXOFKLPKU-UHFFFAOYSA-N 441.318 5.365 30 20 IKED CCC(C)(C)N(CCC#N)C(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 484472695 XABCJAZRZWNUMQ-UHFFFAOYSA-N 435.952 5.646 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NC3CCN(Cc4ccc(F)c(F)c4)CC3)c2)cc1 486982458 FUYPEYRLBOESTP-UHFFFAOYSA-N 447.485 5.023 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(-c4ccc(Cl)s4)on3)s2)cc1 487419091 KBAGMXPMTGFKIN-UHFFFAOYSA-N 426.910 5.228 30 20 IKED CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1 490186734 GAQZEHUONPRWPP-UHFFFAOYSA-N 447.922 5.782 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 493952555 LSPRSJOCCRGTCR-UHFFFAOYSA-N 434.286 5.365 30 20 IKED Cc1nc(NC(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc23)sc1SCC#N 495129737 GJQBYIGBIGRZEJ-NSHDSACASA-N 434.999 5.388 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1Cc2cc(Br)ccc2C[C@H]1C 499897853 VIOQADVATMMJQG-HUUCEWRRSA-N 444.398 5.822 30 20 IKED C[C@H](NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2s1 500984805 OKRFLGSCULOSHS-HNNXBMFYSA-N 445.504 5.078 30 20 IKED CSc1ccccc1[C@@H](C)NCCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 501546335 NZNQPYUYTNSUCG-QGZVFWFLSA-N 436.581 5.019 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(N2CCCC2)cc1C 502661768 KUGBAICTEAQQCE-UHFFFAOYSA-N 446.364 5.717 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1cccs1)Cc1cccs1 503223583 GXLNMHLYWSRWNZ-MRXNPFEDSA-N 427.620 6.296 30 20 IKED N#C[C@H](C(=O)c1cccc(OCc2cccnc2)c1)c1nc(-c2c(F)cccc2F)cs1 503419151 MPKVFTHYSPSVLR-GOSISDBHSA-N 447.466 5.552 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](CC1CCCC1)c1ccccc1 503653854 SRHGFMWWAIKRPS-XMSQKQJNSA-N 435.593 5.315 30 20 IKED C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1ccc(Oc2ccccc2)c(F)c1 504075580 LIFMXPHIHRVTJW-VOIUYBSRSA-N 426.488 5.057 30 20 IKED CCN(C(=O)[C@@H](C)Oc1ccccc1C#N)[C@@H]1CCSc2ccc(Br)cc21 504558229 BRDVOQCPTGNVMR-RDTXWAMCSA-N 445.382 5.174 30 20 IKED N#CCCCS(=O)(=O)c1ccc(-c2nc(-c3cccc(Oc4ccccc4)c3)no2)cc1 504612561 GODYJEDEPOQYCY-UHFFFAOYSA-N 445.500 5.273 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)CC2)cc1 504711129 GUCQISHUQSPYQZ-UHFFFAOYSA-N 449.510 5.564 30 20 IKED COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)NCCCCC#N)cc1 505094575 UQBTVTLUWBIRNN-ZZEZOPTASA-N 425.532 5.544 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 505179857 NRRWYVAQHOTGEU-UHFFFAOYSA-N 444.585 5.419 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 507921642 YFKNBPADXKMTDE-UHFFFAOYSA-N 444.878 5.625 30 20 IKED Cc1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)c2cc(Br)ccc2n1 508904644 ILARAVTXUKOQJE-UHFFFAOYSA-N 426.339 5.370 30 20 IKED C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](n2ncc3ccccc32)C1 508911391 ATZQBRWPBRFGPU-XLIONFOSSA-N 448.958 5.059 30 20 IKED C[C@H](c1cccc(Cl)c1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509907712 AZMVPOLXIGFELK-GOSISDBHSA-N 433.939 6.210 30 20 IKED CCN(C(=O)Nc1cc(C#N)ccc1OC)[C@@H]1CCSc2ccc(Br)cc21 509993083 RQMMGMSDMHCBET-QGZVFWFLSA-N 446.370 5.420 30 20 IKED N#Cc1ccc(SCC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)cc1 510527908 YXNAKOUQRMZXQN-UHFFFAOYSA-N 429.423 5.495 30 20 IKED C[C@H](CC#N)NC(=O)c1cc(/C=C/c2cccs2)nc2ccc(Br)cc12 512013184 ZDSGAZLWCWCWBN-URWSZGRFSA-N 426.339 5.261 30 20 IKED CCOc1cc(Br)c(F)cc1NC(=O)c1cn(CCCC#N)c2ccccc12 516222523 RLZIBRUCOTUZDL-UHFFFAOYSA-N 444.304 5.498 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(COc4ccc(F)cc4)o3)n2)cc1 516270299 RCUIBKIWALZKKZ-FQEVSTJZSA-N 448.475 5.620 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OCC(F)(F)F)cc3)n2)cc1 516713780 JFNOSOGRPZLUIR-KRWDZBQOSA-N 432.423 5.250 30 20 IKED C=CCc1cc(CNC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc(OC)c1OC 518150649 DSPCFBROGPENQS-HSZRJFAPSA-N 433.552 5.350 30 20 IKED Cc1ccc2nc(COc3ccccc3C(=O)Nc3cccc(OCCCC#N)c3)cn2c1 518239731 LIXBFCSPJQJWPN-UHFFFAOYSA-N 440.503 5.157 30 20 IKED COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)ccc21 518320739 YVNAHPLRXFMLBR-HXUWFJFHSA-N 430.335 5.206 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1OC(F)F 518754155 MKLRGJAOCJRJGB-MRXNPFEDSA-N 438.499 5.943 30 20 IKED N#C[C@H](NC(=O)CSCc1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 521353750 PTJMHUZHFGAUHJ-INIZCTEOSA-N 443.288 5.082 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 521741255 ABKVCVZQYXWVOM-HTAPYJJXSA-N 446.576 5.112 30 20 IKED CCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H](C)c1cccc(O)c1 522843394 PXGGUHYQNAIYSH-LJQANCHMSA-N 429.520 5.652 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C 523027480 UPVZVFBDTMFZHK-AUSIDOKSSA-N 443.522 5.995 30 20 IKED Cc1cccc(NC2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)c1 525002217 FHNQULZZDPGECB-UHFFFAOYSA-N 426.520 5.767 30 20 IKED COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)Nc2cc(CC#N)ccn2)cc1 531669662 ACUDLFUSJPFYTF-CAPFRKAQSA-N 446.510 5.444 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H](OC2CCOCC2)c2ccccc2)cc1 534643092 DZUBGJWIXUWEIU-VWLOTQADSA-N 428.488 5.226 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(Br)cc2cccnc12 536186216 YOYUJIKAQIZOFK-ZDUSSCGKSA-N 426.339 5.644 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(C)s2)nc2scc(-c3ccccc3)c2c1=O 551392103 BDBYRWXEBXZHTO-LBPRGKRZSA-N 426.592 5.324 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1 562908307 VWKQJZHXFBGHOO-IFMALSPDSA-N 436.625 5.505 30 20 IKED C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 564377887 JOQRWXFAHAZYKB-JOCHJYFZSA-N 441.535 5.038 30 20 IKED C=CC1CCN(c2nnc([C@H](C)Oc3ccc4ccccc4c3)n2C[C@H]2CCOC2)CC1 570945583 XPMKAXVZTCGQGU-PZJWPPBQSA-N 432.568 5.010 30 20 IKED COc1cccc(NC(=O)[C@H](Sc2nc3c(cc2C#N)CCCC3)c2ccccc2)c1 585688261 HMIVPXLHIGYWGE-HSZRJFAPSA-N 429.545 5.313 30 20 IKED C[C@@H](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)Nc1ccc(C#N)c(Cl)c1 603728540 PTPHUJCPKFVDLU-ZDUSSCGKSA-N 429.307 5.120 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3cccc(OCCCC#N)c3)cc(-c3ccco3)nc21 603972067 LTEMEJVBTXEWJQ-UHFFFAOYSA-N 429.480 5.207 30 20 IKED Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3sc4c(c3C#N)CCCCCC4)C2)cc1 603996145 BWSWOZQSNAHGQI-IBGZPJMESA-N 435.593 5.078 30 20 IKED CC1(C)CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)[C@H]1c1ccccc1 604363020 RNOCLCVQDCWCGU-VWLOTQADSA-N 425.532 5.947 30 20 IKED Cc1cc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1C(F)(F)F 608334251 WPVPECXYDOIPJQ-IAZYJMLFSA-N 436.318 6.045 30 20 IKED CN(C(=O)c1cccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c1)c1ccccc1 609216142 CDKRDJWMJZMBBU-UHFFFAOYSA-N 437.524 5.816 30 20 IKED COc1ccc(CNCc2cccc(OCc3ccccc3C#N)c2)c(C(F)(F)F)c1 609433211 JWOWNXRKMMLXFJ-UHFFFAOYSA-N 426.438 5.454 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 609508610 SRYIOEKJEZUXLG-WZOJCFFYSA-N 429.347 5.475 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3cccc(NC(=O)c4ccccc4)c3)c2)cc1 609642504 LLKUBMIRYJPJRR-UHFFFAOYSA-N 447.494 5.642 30 20 IKED CCOc1cc(N[C@H](C)c2ccc(C#N)cc2)c(OCC)cc1NC(=O)c1ccccc1 609825343 RWYITCWCFLLAJQ-GOSISDBHSA-N 429.520 5.781 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(Oc4cccc(C(N)=O)c4)cc3)c2)cc1 609989726 YHWIBYBNLAIMMW-UHFFFAOYSA-N 448.482 5.445 30 20 IKED Cn1ccnc1C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1 610325241 OHZFYCBCZDMXLO-DEOSSOPVSA-N 437.503 5.190 30 20 IKED N#Cc1cc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)ccn1 611941209 HROVNIQDYAJVGC-AWEZNQCLSA-N 427.270 5.384 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc(OC)c1OCc1ccccc1 613292701 PSGDCKWABSGVKM-NRFANRHFSA-N 438.483 5.321 30 20 IKED C=CCn1c(Sc2cc(C(C)C)nc3ncnn23)nnc1-c1ccc(C(C)(C)C)cc1 613393694 CTYOWTPGVOPNEW-UHFFFAOYSA-N 433.585 5.141 30 20 IKED Cc1ccccc1OCc1nnc(Sc2ccc(C#N)cc2[N+](=O)[O-])n1-c1ccccc1 619684733 PHXUWBMZISAPLO-UHFFFAOYSA-N 443.488 5.086 30 20 IKED O=C(CCOCC(F)(F)C(F)(F)F)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 622485301 JYISVHGBBNGYSG-NSHDSACASA-N 447.244 5.029 30 20 IKED N#C[C@H](C(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1nc2cc(C(F)(F)F)ccc2s1 642281998 AXLKQDCOUKDKGH-DLBZAZTESA-N 446.450 5.363 30 20 IKED O=C(Nc1ccc(OC(F)F)c2cccnc12)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 681485561 STIVQNQGDCZAEK-AOOOYVTPSA-N 443.294 5.041 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2cc(Br)c(F)cc2F)c1C(F)F 682438733 NRRZAMNUTWNGRU-UHFFFAOYSA-N 448.136 5.152 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCO[C@@H](c3ccccc3F)C2)c1=S 727423188 CAFYTEUKGNNTAJ-HXUWFJFHSA-N 444.963 5.091 30 20 IKED N#Cc1ccccc1NC(=S)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 728794308 YQPOJGLYRKRMSD-UHFFFAOYSA-N 440.450 5.638 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)cc1 730687571 PFDBBXMSWXQSTO-MRXNPFEDSA-N 445.466 5.158 30 20 IKED Cc1ccc(/C=C/S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 730997311 QMNRFBIIUJAVIG-FMIVXFBMSA-N 426.485 5.432 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 731542236 VSVUZTCNDPJQMX-OPAMFIHVSA-N 444.000 5.569 30 20 IKED N#C[C@@H](C(=O)c1cccnc1SC(F)(F)F)c1nc(-c2c(F)cccc2F)cs1 733685418 LCMBJMLSRJFJND-JTQLQIEISA-N 441.406 5.585 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1 733799969 OYKYIONEKFJXNK-QGZVFWFLSA-N 446.532 5.237 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)c1 733805233 PBIRDSFELXZQLR-VWNXMTODSA-N 433.939 5.610 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 733805377 BFMYIAMBGLRLCE-UPVQGACJSA-N 433.939 5.610 30 20 IKED C=CC[C@@H](NC(=O)NC[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12)c1ccncc1 734652312 KYLOBCBVNYSWEO-ILBGXUMGSA-N 440.547 5.320 30 20 IKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)OCc1cc(Cl)ccc1OCC#N 735344084 ZVLAQSFWOOJHIO-UHFFFAOYSA-N 447.716 5.081 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)c2)cc1 738749029 GSSQIXOUFMRXLH-UHFFFAOYSA-N 439.393 5.116 30 20 IKED C[C@H](c1cccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1)N1CCOCC1 740450076 OTIOKYYNAURNRE-GOSISDBHSA-N 446.576 5.002 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)cc1 741431994 VYTOYBXLVOIKOS-DILOTOHQSA-N 444.453 5.550 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccccc1C(F)(F)F 744016409 MUDLDHUZPIKKQN-SMDDNHRTSA-N 445.466 5.274 30 20 IKED CCSc1ccc(-c2nn(-c3ccccc3)cc2C=NN=C(C)c2cnccn2)cc1 745206588 LLYQKMCOMIHDCT-UHFFFAOYSA-N 426.549 5.284 30 20 IKED COc1cc(/C=C\C(=O)c2c(C)nn(C(C)C)c2C)cc(Br)c1OC(F)F 746346228 MJMLBMCCAFSCNC-SREVYHEPSA-N 443.288 5.349 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cnn(-c3ccccc3)c2)cs1 746347246 YGXULEYJERLZGA-XFXZXTDPSA-N 432.480 5.049 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NC1CCN(c2ccccc2C#N)CC1 747336709 UBASGCCKZFSTBL-UHFFFAOYSA-N 436.968 5.042 30 20 IKED CCOCc1cc(/C=C\C(=O)c2cc3ccc(N(CC)CC)cc3oc2=O)ccc1OC 747613274 VXGJRPCZSDTEMX-WQLSENKSSA-N 435.520 5.080 30 20 IKED N#C[C@@H](C(=O)CCCOc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 748003672 GHYJTSUZDFJPGF-ZDUSSCGKSA-N 425.699 5.153 30 20 IKED CC(=NN=c1cc(C(F)(F)F)[nH]c(-c2ccncc2)n1)[C@H](C)c1nc2ccccc2s1 748788637 UPZXDFXRJPJZHP-LBPRGKRZSA-N 442.470 5.181 30 20 IKED CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 755754855 BUZMACQGUBQFDS-JIMJEQGWSA-N 443.522 5.865 30 20 IKED CCOC(=O)C1C/C(=C/c2cnc(C(C)C)s2)C(=O)/C(=C\c2cnc(C(C)C)s2)C1 758434430 RQPVBQMHEXJLEX-VULZFCBJSA-N 444.622 5.856 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(C3CC=CC3)C2=O)c1 759688308 FTXPTISOWVUUME-OAQYLSRUSA-N 437.540 5.121 30 20 IKED CCc1ccc(N(C(=O)Cc2cccc(OCC#N)c2)c2nc3ccccc3s2)cc1 760343333 RMAGAOXIPYBOSP-UHFFFAOYSA-N 427.529 5.668 30 20 IKED COc1cc2c(cc1NC(=O)N1CCO[C@H](c3cccc(C#N)c3)C1)oc1ccccc12 761218579 IKEBQUBWLZRVRH-DEOSSOPVSA-N 427.460 5.072 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cc1Cl 761550746 IKPGUCJAFQYRNG-UHFFFAOYSA-N 429.766 5.443 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(Cc2noc(-c3cc4ccccc4n3CC#N)n2)cc1 762285633 FZXWZSQMBMTQAA-UHFFFAOYSA-N 429.480 5.153 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)OCc1nc(O)c2ccc(C(F)(F)F)cc2n1 762317882 CZIRGEVDBYAFEZ-UHFFFAOYSA-N 449.388 5.250 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc2c(ccn2Cc2ccccc2)c1 763929602 HXUHLJDFQPOJMK-JOCHJYFZSA-N 427.891 5.304 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@@H](C)c2csc3ccccc23)nnc1-c1ccco1 765428842 KMHWTAGZVSWWER-HNNXBMFYSA-N 438.578 5.298 30 20 IKED Cc1ccc(Cn2nc(C)c(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)c2Cl)cc1 768140838 WSYWNDARBIVTCA-QGZVFWFLSA-N 447.753 5.503 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N(C[C@H](O)c3ccc(F)cc3)C3CC3)cc2)cc1 771643444 IQCUOQNGWAXLGS-VWLOTQADSA-N 430.479 5.022 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)O[C@@H](C#N)Cc1ccc(F)cc1F 774337130 ZXVOZXJBKLRXJJ-MRXNPFEDSA-N 436.336 5.239 30 20 IKED Cc1noc(C)c1CSc1ccccc1C(=O)O[C@@H](C#N)Cc1ccc(F)cc1F 774345122 ULVBYXYXEHYIEZ-QGZVFWFLSA-N 428.460 5.154 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)nn1-c1ccc(Cl)cc1Cl 776517104 OYTGRTDZQRNFOS-CYBMUJFWSA-N 447.709 5.102 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(CC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c1 777295484 FJAPHKRQTOCXLV-INIZCTEOSA-N 440.450 5.197 30 20 IKED C[C@H](NC(=O)N[C@@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21)c1ccc(C#N)cc1 777460108 VHUURBJMLVZJRI-KSFYIVLOSA-N 434.540 5.343 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(COC(=O)c2ccc(C#N)c(Cl)c2)cs1 778536127 WBPXHTVNBXKXIT-UHFFFAOYSA-N 446.315 5.363 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCCCN3Cc3ccccc3)n2)cc1 779194772 NRSASOLUCPEBGK-GMAHTHKFSA-N 431.561 5.050 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 780670870 REKUIFYZSFJZPH-ZWKOTPCHSA-N 428.492 5.112 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 780676923 AXJXDIKRQQMZRO-CQSZACIVSA-N 426.929 5.119 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)Nc3ccc(C#N)cc3)cs2)cc1 783699242 ULLBNUUVGPHOHS-UHFFFAOYSA-N 434.521 5.205 30 20 IKED C=CCCN(OCc1ccccc1)C(=O)c1cnn(-c2ncccc2Cl)c1C(F)F 783873012 RBKKJCIFCFHKMH-UHFFFAOYSA-N 432.858 5.008 30 20 IKED CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H](N[C@@H]3CCc4cc(C#N)ccc43)c3ccccc3O2)C1 787027142 OWUNWOIFIZYOLQ-NOTUOJBMSA-N 445.563 5.039 30 20 IKED CC[C@H](NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(Cl)s2)n1)c1ccccc1 787039227 QJKSPOQUGUPHER-KBPBESRZSA-N 429.954 5.115 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)c1cnc(-c2ccccc2)s1)c1ccc(Cl)cc1Cl 787054854 XXSAHVHTXMECHV-LRDDRELGSA-N 444.343 5.317 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 789454578 BCQCLQYSPCXWDM-AZUAARDMSA-N 429.605 5.696 30 20 IKED N#C[C@H](C(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1nccc2ccccc12 792093032 GWQQNVTZRBRMFI-JOCHJYFZSA-N 432.483 5.040 30 20 IKED Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(F)cc2OCC#N)ccc1Br 797634786 JDMDGIHVEMEWMP-GOSISDBHSA-N 432.293 5.168 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1 799335782 KNKJXXPUGPISLV-SFHVURJKSA-N 447.516 5.357 30 20 IKED C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915101033 BDNPDZKQNSPLSQ-YVEFUNNKSA-N 443.937 5.729 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1 915352422 IGKINDMYDYRSSS-YADHBBJMSA-N 433.964 6.354 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)[C@H](C#N)c1nc2ccccc2[nH]1 916844654 SZUYNLCAOIMDET-INIZCTEOSA-N 438.318 5.091 30 20 IKED CSCc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)oc2ccccc12 916884719 ZKRBVMFXQQHNFS-OAHLLOKOSA-N 446.500 5.572 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 916898965 KHANZHDKGGDYEA-SFHVURJKSA-N 435.823 5.002 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 916902312 DLMQEQZNKKPHNH-QHCPKHFHSA-N 431.511 5.319 30 20 IKED CNC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N([C@@H](c2ccccc2)C2CC2)C1=O 917702399 SZLJUHFYNADTIO-UPVQGACJSA-N 443.572 5.059 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccoc4)cc3)CCC2)c1 1786749624 ATROCIWLOMCMMB-SSGOSMAHSA-N 439.515 5.368 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(F)cccc3Cl)cc2)CCC1 1790226591 FFIVGPKEMFTMBO-HNNXBMFYSA-N 445.922 5.028 30 20 IKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)C[C@@H]4C[C@@H]5CC[C@H]4C5)cc3)CCC2)cc1 1791321258 ULQPDVLVGDCPJV-VJBWXMMDSA-N 441.575 5.061 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)CCCCCCC(=O)OC(C)(C)C)CCC2)cc1 1791593518 VQIWZUUHMGITMB-UHFFFAOYSA-N 442.600 5.379 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C)cc2C)[C@@H]1c1cccnc1 1802495884 NXBUETWUULXQBL-ISKFKSNPSA-N 433.596 5.010 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)C[C@H](C)c2ccccc2)[C@H]1c1cccnc1 1812731959 XPQAQMJWYTVKSZ-BBVWWWHTSA-N 447.623 5.274 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2scnc2C2CC2)n[nH]1 1816255153 QATUTYGVWPWRCV-QGZVFWFLSA-N 441.601 5.042 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ccccc23)n[nH]1 1818452746 CBESDLXWPXPKTE-GBXCKJPGSA-N 442.563 5.637 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3sccc3s2)n[nH]1 1819029042 GRKBGIVRQCSAAB-DZGCQCFKSA-N 428.583 5.204 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C\c2c[nH]c3ccccc23)CC1 1825095970 OUBTYDDJWZBJOL-XVPMPLQNSA-N 433.596 5.013 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3occc3c2)CC1 1828256271 DNINWVODKHTFMU-BJKOFHAPSA-N 434.580 5.435 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc(F)c2F)CC1 1828829963 OKWREKVPBZHFGP-SIKLNZKXSA-N 448.529 5.106 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)c(C)c2)CC1 1830566737 MFADUXANPHDSNP-UPVQGACJSA-N 426.576 5.136 30 20 IKED Cc1ccccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832633726 NAFMIWLGDKKPIW-HFZDXXHNSA-N 443.591 5.169 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1 9334325 ROFXEHCCCHCQMS-CYBMUJFWSA-N 433.364 5.557 30 20 IKED C=CCn1c(SCC(=O)N(C)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 9826117 AWLVLCGNWRBURT-UHFFFAOYSA-N 433.364 5.193 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)nnc1-c1ccc(F)cc1 10498730 LRLGOGRCCFILGQ-OAQYLSRUSA-N 442.535 5.015 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc2)c(Cl)c1 18065107 DIMSWWVZZLTUDV-XSFVSMFZSA-N 434.879 5.770 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2SC)nnc1-c1ccc(F)cc1 22100712 XFJNIANKCHFUQW-CQSZACIVSA-N 428.558 5.111 30 20 IKED Cn1c(COc2ccccc2Cl)nnc1SCc1ccc(-c2ccccc2C#N)cc1 22415576 CCDRZNGAJDIPHW-UHFFFAOYSA-N 446.963 5.878 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2cc(C)ccc2C)cc1 22729664 NAVLWDFECDJDDO-UHFFFAOYSA-O 431.625 6.130 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(CC)cc2)cc1 22731375 UOJRBIZXIODAQX-UHFFFAOYSA-O 441.523 5.264 30 20 IKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(C)c(C)c2)[n+]2cccc(O)c2)c(Cl)c1 22732721 LCWFJOQRWJDJMH-UHFFFAOYSA-O 439.988 5.618 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)nnc1-c1ccc(F)cc1 24014938 HIAAUZXNRSZNPE-QAPCUYQASA-N 442.585 5.176 30 20 IKED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(CSc3ccccc3)cc2)CC1 24380146 LIPJVPSSFYCBEI-VWLOTQADSA-N 445.563 5.141 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1csc(COc2ccc(C)cc2)n1 57798881 OFAWUDXLRCQJRG-UHFFFAOYSA-N 432.998 5.503 30 20 IKED N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SCc1csc(C2CCCC2)n1 64025782 WODNBKHAQKQBSY-UHFFFAOYSA-N 435.578 5.194 30 20 IKED CC1C/C(=C/c2ccc(O[C@H](C)C#N)cc2)C(=O)/C(=C/c2ccc(O[C@H](C)C#N)cc2)C1 110652557 MKNSCICKDMKUIU-IGSPUIRJSA-N 426.516 5.734 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 301748942 MIQKQZVBMCFNIA-MRXNPFEDSA-N 437.392 5.122 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCSc2ccc(F)cc21 303172592 JKONECOHBVZTCX-HSZRJFAPSA-N 447.535 5.943 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H](c3ccccc3)N3CCCCC3=O)cc2)cc1 303288880 ARZKEGHTLREHAX-RUZDIDTESA-N 425.488 5.043 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(c3ncc4n3CCCC4)CC2)cc1 433250168 UJURTEUKWKJNTI-UHFFFAOYSA-N 441.535 5.295 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)N1CC[C@H](CC(F)(F)F)C1 434336440 YETZJMKAMVWYMQ-ZWNOBZJWSA-N 436.318 5.683 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(F)c(F)cc3Br)o2)cc1 435260108 MRVFEZZKQMZDLI-UHFFFAOYSA-N 433.208 5.023 30 20 IKED CCCCOC1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 437992258 ZKPRDSCRCIVSQD-UHFFFAOYSA-N 425.504 5.089 30 20 IKED C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1nc(-c2cccc(F)c2)no1 438045083 QRRZUVWZNARDKC-KGLIPLIRSA-N 425.489 5.010 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 438134169 XWYXIEFZPQROIV-ROUUACIJSA-N 441.413 5.059 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)Nc1csc2ccccc12 439515606 DWLGIQGHBBGLBA-UHFFFAOYSA-N 441.512 5.238 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc(OC)c1OC(F)F 442672921 JUXMOYQSABOQTD-HNNXBMFYSA-N 444.459 5.227 30 20 IKED Cc1c(Cl)cnc(N2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)c1C#N 443499526 KMOKFQCTAZFDQE-MRXNPFEDSA-N 444.720 5.069 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@@](CO)(Cc3ccccc3)C2)cc1 462894640 OKZZOJPAUJJZPE-MUUNZHRXSA-N 440.543 5.116 30 20 IKED Cc1ccc(-c2cnc(CSc3nc(N)c(C(=O)Nc4ccccc4)cc3C#N)o2)cc1 463269109 WYJKXSFRSBBIRE-UHFFFAOYSA-N 441.516 5.044 30 20 IKED O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1c(F)cc(C(F)(F)F)cc1F 464320177 LNNKZJORNIYFDJ-UHFFFAOYSA-N 435.274 5.440 30 20 IKED O=C(NCCc1nc(C(F)(F)F)cs1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 464920501 CNBGNYZPXNDGLZ-UHFFFAOYSA-N 436.299 5.172 30 20 IKED CC(C)(C)c1ccc(Oc2ccc(C(=O)N3CCC[C@@]4(CCCCO4)[C@H]3C#N)cn2)cc1 468647947 HXFFZADHBOFBHG-GJZUVCINSA-N 433.552 5.239 30 20 IKED N#Cc1ccc(-c2nnc(CNc3ccc(Oc4cccc(C(F)(F)F)n4)cc3)o2)cc1 471649205 OUWOLQCPGRJOIZ-UHFFFAOYSA-N 437.381 5.426 30 20 IKED COc1ccccc1[C@@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)OC(C)C 473676382 OMOURWGLRQAQLB-DYESRHJHSA-N 427.570 5.377 30 20 IKED COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1ccc(C(C)(C)C#N)cc1)CC2 474426623 NGPGMHSATNUWND-AREMUKBSSA-N 440.543 5.293 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1 476139104 IHHWMTQZRJOFQR-UHFFFAOYSA-N 434.580 5.185 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 482901540 SPIBQXGUZMCUSB-GJZGRUSLSA-N 432.952 5.131 30 20 IKED Cc1ccc(N(C(=O)C[C@H](CC#N)c2ccccc2)c2nc3ccccc3s2)c(C)c1 483388815 WJHOYPMZZBLZIK-NRFANRHFSA-N 425.557 6.665 30 20 IKED C=CCOc1cccc(NC(=O)N2CCC(c3nc(-c4ccccc4OC)cs3)CC2)c1 483859161 FYMANVSLLSKFSK-UHFFFAOYSA-N 449.576 5.795 30 20 IKED CC(C)[C@](C)(NCc1nnc(-c2cccc(C#N)c2)o1)c1ccc(Br)cc1 484402230 GTSPTPUSGYQFDB-NRFANRHFSA-N 425.330 5.032 30 20 IKED CC(C)c1c(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cnn1-c1ccc(Cl)cc1 485179319 RNERIOXECZFBCK-JTHBVZDNSA-N 447.970 5.953 30 20 IKED C[C@H](Oc1cccc(F)c1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 487354036 ONJVGNOGFRNIBI-LBPRGKRZSA-N 449.429 5.169 30 20 IKED Cc1onc(-c2ccccc2)c1-c1nnc(CSc2nc(C(F)(F)F)ccc2C#N)o1 488798424 POGIITFDVORVHT-UHFFFAOYSA-N 443.410 5.278 30 20 IKED C=C[C@@H]1CCCCN1C(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 488853797 MPGBQNLNJIPNRP-DOTOQJQBSA-N 439.606 5.253 30 20 IKED C=CCn1c(SCC(=O)c2ccc(NC(=O)CC(C)C)cc2)nnc1-c1cccs1 489428085 ONPKPARZGIIIPK-UHFFFAOYSA-N 440.594 5.152 30 20 IKED COc1ccc2c(CC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)coc2c1 490652884 RWNBFGFFSCZMKH-UHFFFAOYSA-N 426.472 5.268 30 20 IKED C=CCN(CCc1ccco1)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 492237684 SYUVWZXHPREJBM-UHFFFAOYSA-N 431.414 5.748 30 20 IKED C[C@@H]1[C@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCN1Cc1ccccc1 494028523 RNIYESFNZCHBPT-CJFMBICVSA-N 441.600 5.243 30 20 IKED CCn1ncc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1-c1ccccc1 495232831 MUBKIFWDBVDOOX-OAHLLOKOSA-N 434.471 5.462 30 20 IKED C=CCN(CCc1ccco1)C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 497382144 CSJTYPIXXNSBGO-SFHVURJKSA-N 435.499 5.172 30 20 IKED CCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)[C@H](C)c1ccc(C#N)cc1 497594019 ODVRXZRPSFVQIM-DYESRHJHSA-N 448.617 5.442 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCCC[C@H]2OC(F)F)cc1 502161436 FTSUUOSHHYQXEH-NHCUHLMSSA-N 429.467 5.004 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Nc3cccc(OC(F)F)c3)cc2F)c1 502447803 GDPRBWNLVPDUND-UHFFFAOYSA-N 427.382 5.522 30 20 IKED CCOCCOc1c(Cl)cccc1NC(=O)Nc1ccccc1S[C@@H](C)CC#N 503217284 NEAQKRKMSYHBCL-HNNXBMFYSA-N 433.961 5.794 30 20 IKED CN(CCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)CC(F)(F)F 504567669 GOPVFHDRMPVHJV-SFHVURJKSA-N 438.881 5.001 30 20 IKED CC[C@@H](C)n1c(SCC(=O)Nc2ccc(Cl)c(C#N)c2)nnc1-c1ccccc1 505044708 QNJYQXLPBCPBQA-CQSZACIVSA-N 425.945 5.172 30 20 IKED COC(=O)c1ccoc1CSc1ccccc1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 505816293 VXJGUOOLBSMLRY-SFHVURJKSA-N 440.908 5.007 30 20 IKED Cc1cc(C(=O)N2CCC(C)(C#N)CC2)ccc1N[C@@H](C)c1cc(Cl)ccc1Cl 507839686 DTLHYFIIJFSAFU-INIZCTEOSA-N 430.379 6.241 30 20 IKED CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 508241012 HXIUNLNAGKOQBG-UHFFFAOYSA-N 445.475 5.142 30 20 IKED CCOCc1ccccc1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 508274809 DBNLQVNAJWNADK-UHFFFAOYSA-N 431.492 5.217 30 20 IKED C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC[C@@]2(CCCOC2)C1 508859529 WDKVHZLIHXCXLV-HHHXNRCGSA-N 444.579 5.107 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC([C@H]2CCCO2)CC1 508878835 BTTCBCRDEJHEOM-NTKDMRAZSA-N 432.568 5.153 30 20 IKED Cc1nnc(Sc2ccc(NC(=O)[C@H](Oc3ccccc3C#N)C(C)C)c(C)c2)s1 509291220 WFKFNVGQVIAVEL-HXUWFJFHSA-N 438.578 5.220 30 20 IKED CCC(CC)N(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H]1CCCc2cccnc21 511285362 LKOUBXNHWUYEIN-XMMPIXPASA-N 440.547 5.849 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(Nc3ccccc3)c2)cc1C 511511566 FFRBQQNQHLMFRF-UHFFFAOYSA-N 435.531 6.077 30 20 IKED CCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 511799802 PEIIZNVWPUPUPU-UHFFFAOYSA-N 447.922 5.738 30 20 IKED C=CCOc1c(Br)cc(CN[C@H](C)c2c(F)cccc2F)cc1OCC 513622748 XYJKOBSQNUZMJD-CYBMUJFWSA-N 426.301 5.542 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1nc2ccccc2[nH]1 513655438 QVJRGMQOTSZRNH-MRXNPFEDSA-N 427.851 5.152 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2ccccc2SCc2ccc(Br)cc2)n1 513656316 ZZABSAQMTIELNG-KRWDZBQOSA-N 443.391 5.996 30 20 IKED C=CCn1c(SCCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1ccccc1F 514486878 NTTNGTOEQWXTBD-UHFFFAOYSA-N 434.899 5.184 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1OC1CCCC1 517800927 QDOMWNAQVLUKMO-HXUWFJFHSA-N 443.528 5.502 30 20 IKED N#C[C@H](C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1nc2ccccc2o1 518502331 REAKKEBBLKENKM-LJQANCHMSA-N 429.501 5.341 30 20 IKED COc1ccc(Cl)cc1N1CC[C@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 518755618 LDCKOOBRGPJXBC-WBVHZDCISA-N 444.988 5.143 30 20 IKED CCOc1ccc([C@H]2CCCN2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 519196464 CWVVUDIYBNXLQR-RUZDIDTESA-N 427.504 6.118 30 20 IKED Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)[nH]c2c1 519198935 DKNHSRBETRQBTF-DEOSSOPVSA-N 437.503 5.904 30 20 IKED N#C[C@H](C(=O)c1sccc1OC(F)F)c1nc(-c2ccc(Cl)cc2Cl)cs1 519252549 NZTPZCPFHMHIPU-SNVBAGLBSA-N 445.299 6.270 30 20 IKED CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 519619131 XSLNWCYXOCIYNZ-UKDVSSAZSA-N 442.519 5.218 30 20 IKED COc1cc(C[S@](=O)Cc2cc(C)sc2C)ccc1OCc1cccc(C#N)c1 522663766 YJIKVYFUAIFKDH-LJAQVGFWSA-N 425.575 5.273 30 20 IKED Cc1sc(NC(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)c(C#N)c1C 524100354 LVYFQACJXBRTKB-UHFFFAOYSA-N 434.908 5.859 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCSc1ccc2c(c1)OCCCO2 524635898 SDJQTAYBTQTYDY-MRXNPFEDSA-N 428.579 5.363 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(Oc3ccccc3Cl)nc2)c1C 530831761 JOVRIVVYUUFCQN-UHFFFAOYSA-N 443.894 5.454 30 20 IKED Cc1nnc(SCC(=O)N(CCC#N)c2cccc(Cl)c2)n1[C@@H]1CCC[C@H](C)C1 534607223 NMBBZEQSZVJJBP-HNAYVOBHSA-N 431.993 5.030 30 20 IKED CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 534871835 BWRQMWUEKUTDTH-UHFFFAOYSA-N 447.922 5.277 30 20 IKED O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cc(N2CCCC2=O)ccc1F 540575964 ZTZHWDIUQHVQNT-QGZVFWFLSA-N 448.338 5.005 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1ccc(C#N)c(C(F)(F)F)c1 542005960 JVIXACKEWWFWSQ-ZDUSSCGKSA-N 435.496 5.702 30 20 IKED O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CCSC1 544012669 HSGGOKDCPCEHJS-HQJQHLMTSA-N 425.316 5.197 30 20 IKED CN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ncccc1Br 544107514 LMDBYSVXLWUQLN-UHFFFAOYSA-N 442.700 5.438 30 20 IKED C=CCC[C@H](NC(=O)N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1)c1ccccc1 549166429 JNKDXAIGWXNJDT-URXFXBBRSA-N 434.584 5.246 30 20 IKED N#Cc1ccc(N2CC[C@H](C(=O)Nc3ccc(Oc4ccncc4)c(Cl)c3)C2)c(F)c1 552894854 PWYRBOOEXOGESH-INIZCTEOSA-N 436.874 5.003 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(CCC#N)c2ccc(F)cc2)cc1 561800626 DSYZCPZGDPPYNJ-UHFFFAOYSA-N 441.506 5.862 30 20 IKED C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 565840605 YXXHJMCLDSVKFD-HSZRJFAPSA-N 446.595 5.229 30 20 IKED CC(C)c1nc([C@@H]2CCCCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)no1 568570834 HHPHILQEVAXLGD-NRFANRHFSA-N 446.511 5.401 30 20 IKED CCO[C@@H](c1noc(C2CCC(C(F)(F)F)CC2)n1)c1ccc(F)cc1C(F)(F)F 578400629 LGIDZZOAKTVRCJ-QKFMDRJYSA-N 440.359 6.190 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1cc2c(cc1Cl)OCCO2 588923757 KJXFUBNDDJWVHW-CQSZACIVSA-N 448.997 5.235 30 20 IKED C=C(C)CN1CCC(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)CC1 592077175 IUEYYWNOHQGORQ-UHFFFAOYSA-N 448.998 5.022 30 20 IKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 604520004 ZETVSVMFMSOQAE-IGKIAQTJSA-N 440.543 5.377 30 20 IKED C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1nc2ccccc2[nH]1 608792494 JHUOUVOZUFQKON-QGZVFWFLSA-N 427.483 5.047 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)NCC3(c4cccc(C(F)(F)F)c4)CC3)o2)cc1 609061268 PLCFCLJGZGHGAK-UHFFFAOYSA-N 440.421 5.211 30 20 IKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cnn1-c1ccccc1 609063190 ONADNZIJQLNVNH-UHFFFAOYSA-N 442.906 5.537 30 20 IKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C(C)(C)c1ccccc1 609078193 OWBHYTIGRVAGLL-HXUWFJFHSA-N 427.548 5.819 30 20 IKED CCC(=O)N[C@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 609164421 NUXPPKOJXPQNEC-QPPBQGQZSA-N 431.923 5.201 30 20 IKED CN(Cc1ccccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)C1CCCCC1 609205154 WTOMPJVLOYELMZ-UHFFFAOYSA-N 446.595 5.398 30 20 IKED N#Cc1cnc(N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c(Cl)c1 609511906 WBDGKGYEVZJRMD-JOCHJYFZSA-N 437.975 5.300 30 20 IKED C[C@H]1CCCCN1CCOc1ccccc1C(=O)Nc1ccccc1SC[C@H](C)C#N 609816205 SGLGFVMYUZPDCY-UXHICEINSA-N 437.609 5.444 30 20 IKED COc1ccc(COCCC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1 609854867 LQRHNINTAUSLAL-UHFFFAOYSA-N 432.495 5.155 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(Oc3nccs3)c2)cc1 609906783 QMMIWWQZFLCBBE-UHFFFAOYSA-N 441.512 5.833 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCc2c(Br)ccc(F)c2C1 612571921 LYWNGKNHQVASBB-CYBMUJFWSA-N 448.361 5.430 30 20 IKED N#CCCCOc1cccc(CN[C@@H](CC(F)(F)F)c2ccc(Br)cc2)c1 612593602 RNMBHTXKCASYDE-IBGZPJMESA-N 441.291 5.915 30 20 IKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)[C@H](C#N)c1ccc2ccccc2n1 613290795 LRLHOBBNMXLQCH-HSZRJFAPSA-N 447.494 6.062 30 20 IKED CO[C@]1(C(F)(F)F)CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 614930294 SYHCBSWYOUHEDO-OAQYLSRUSA-N 433.430 5.234 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccccc2)c2ccccc12 617468875 KBLLCHPSCRAFDU-GOSISDBHSA-N 445.613 6.054 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2cccc(Cl)c2)c1)c1nc2cc(C(F)(F)F)ccc2s1 617898120 IVBKTLMTXSZEHO-OAHLLOKOSA-N 446.841 5.644 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)N[C@H]1CCc2cc(C#N)ccc21 618807056 SPJDRUNAGWFWBD-XCLFUZPHSA-N 438.394 6.091 30 20 IKED Cc1ccc([C@H](NCc2ccc(C#N)c(Cl)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 619755138 UKOUFTYNGPZTRB-XMMPIXPASA-N 438.980 5.111 30 20 IKED O=C(c1csc(-c2ccccc2F)n1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 620207413 CJERECKSKOXMFB-UWVGGRQHSA-N 426.357 5.152 30 20 IKED COc1ccc(C(=O)/C=C\c2c(C)nn(-c3cc(C)ccc3C)c2Cl)cc1NC(C)=O 726427942 BNEKQGZQKXNJAZ-KTKRTIGZSA-N 437.927 5.314 30 20 IKED CN(CCCCCc1cc(-c2ccccc2)no1)C(=S)Nc1ccc(C#N)c(Cl)c1 726488892 BZCSNWLOHGUGTJ-UHFFFAOYSA-N 438.984 5.908 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C 727222870 BZVALHJERMUTCL-UHFFFAOYSA-N 434.540 5.298 30 20 IKED Cc1cc(C(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c(C)n1-c1ccc(C#N)cc1 728274064 SVTWVIXAFFZCDD-ZEQKJWHPSA-N 427.548 5.206 30 20 IKED Cc1cc(-n2c(C)cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c2C)no1 729319868 PNNQLJILMHGGLZ-JOCHJYFZSA-N 444.922 5.952 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2csc3ccccc23)cc1C 729978112 WMOZXEJIRKKWTD-SFHVURJKSA-N 428.561 5.786 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)cc1 730397207 ZXWUQTPDDXIUCK-QGZVFWFLSA-N 433.826 5.104 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cn1 731986188 IYUULXDOHQYLKO-UHFFFAOYSA-N 444.491 5.539 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 732593490 MVKNBPLJHCMRAX-DSNGMDLFSA-N 448.522 5.751 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 733772653 BYMULJWPMUPVBE-QFIPXVFZSA-N 425.488 5.156 30 20 IKED C=CC[C@@H](NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C)c1ccncc1 734234108 GZDHVRBWBRJWHB-JOCHJYFZSA-N 429.524 5.331 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](Cc2ccccc2)c2cccs2)ccc1OC 735189612 DQGKQJUVSPVOHQ-SFTDATJTSA-N 449.576 5.221 30 20 IKED CC(C)(C)c1ccc(N=C2NC(=O)[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)S2)cc1 736640719 GKSQRXBWFFNOBS-KRWDZBQOSA-N 433.936 5.025 30 20 IKED COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 741821530 XGMZPUSURLCINV-KRWDZBQOSA-N 446.528 5.043 30 20 IKED C#CCN1CCC(C(=O)N2C[C@@H](c3ccccc3Cl)c3c([nH]c4ccccc34)[C@@H]2C)CC1 742275539 CGWLIRSHLWSIBN-AVRDEDQJSA-N 445.994 5.202 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1NC(=O)OC(C)(C)C 744116109 NFBRXHKNOKDFJL-OAHLLOKOSA-N 425.485 5.581 30 20 IKED COc1ccc(OCc2nc(/C=C\C(=O)c3ccc(-c4ccncc4)cc3)cs2)cc1 745990127 KWBXWRUMDOIWSL-WDZFZDKYSA-N 428.513 5.689 30 20 IKED C=CC[C@H](NC(=O)C(=O)Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1)c1ccncc1 749723407 BHXHIXOOWVUDNZ-NRFANRHFSA-N 440.330 5.428 30 20 IKED Cc1ccc([C@H](Cn2ccnc2)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(C)c1 750294289 JOYMGRTZRUHVCW-SXOMAYOGSA-N 449.558 5.718 30 20 IKED C=CCC[C@@H](NC(=O)c1ccc(S[C@H]2CCOC2=O)cc1)c1ccc(C(F)(F)F)cc1 750517416 MTBCWNOCQROFMC-UXHICEINSA-N 449.494 5.550 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=S)Nc2cccc(NC(C)=O)c2)cc1 751014577 PVYOJDYXSILCFL-UHFFFAOYSA-N 432.505 5.126 30 20 IKED CC(C)c1nn(Cc2ccccc2)c(Cl)c1C=NNc1ccc(Cl)c(C(=O)O)c1 754700712 MKOZRJIWYKLOCK-UHFFFAOYSA-N 431.323 5.506 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NCc1cc(Cl)ccc1OCC#N 754765001 BDZQYYCOVQYMJM-CYBMUJFWSA-N 432.376 6.179 30 20 IKED COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 754897769 AIBCJWJAFYWSDN-JOCHJYFZSA-N 434.879 5.066 30 20 IKED CC(C)(C)c1cc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c(C#N)s1 756837028 BSNFIISBXJGGGS-FQEVSTJZSA-N 430.529 5.624 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cc1 758409717 LZRHQSQBFQUODN-AREMUKBSSA-N 431.495 5.847 30 20 IKED N#CCOc1cccc(CC(=O)Nc2ccc(Oc3ccc(F)cc3)c3ccncc23)c1 760442033 FZNJGINCQSQODW-UHFFFAOYSA-N 427.435 5.250 30 20 IKED N#Cc1ccccc1Oc1ccc(-c2nc(-c3cccnc3-n3ccnc3)no2)cc1Cl 761719188 NBZGOZOIONJZKZ-UHFFFAOYSA-N 440.850 5.302 30 20 IKED Cc1csc(Sc2ccc(NC(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)cc2)n1 761840317 UFBLFEQWTFKRBT-HXUWFJFHSA-N 436.562 5.080 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C/C(=O)c1cc(Br)ncc1F 762425204 VOCMMKSQEDGSGV-BQYQJAHWSA-N 448.723 5.394 30 20 IKED N#Cc1cc(NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)c(Cl)c([N+](=O)[O-])c1 764301607 OSXXJVVJBQDWRI-UHFFFAOYSA-N 447.834 5.697 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCc3cccc(C(F)(F)F)c3)n2)cc1 770841628 JUEHBJIVLSCGSR-IBGZPJMESA-N 439.462 5.900 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H]2CCCOc3ccc(Br)cc32)ccc1OC 772978120 DPNYUWPKDKZVNG-MJGOQNOKSA-N 445.357 5.142 30 20 IKED COC(=O)c1coc(/C=C(\C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)c1 774114361 JWVTYLIHSCGAPC-UNOMPAQXSA-N 437.879 5.241 30 20 IKED C[C@H](NC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccc(OCC#N)cc1 776164719 VWAISJJOZKEVQH-NYDSKATKSA-N 431.502 5.341 30 20 IKED C=CC[C@H](NC(=O)N[C@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1)c1ccncc1 777741989 YYLIAPVFNWOTQX-FKBYEOEOSA-N 430.955 5.015 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cccc(Oc2ccc(Cl)cc2)c1 778298022 OELRMLWBXZGENQ-HXUWFJFHSA-N 434.879 5.492 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 779495804 LNMFTIPSZGVJBR-FCHUYYIVSA-N 434.540 5.015 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1 780161501 FAWHRVMQLAASPK-QRQCRPRQSA-N 441.314 6.043 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3 780675389 WEQQMGSQCHASTH-ROUUACIJSA-N 447.535 5.169 30 20 IKED CC[C@@H](C#N)OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)c(OC)c1)CC2 781152373 FNRBLOXXCHMRAT-KJCUYJGMSA-N 428.488 5.198 30 20 IKED CCOc1cccc2[nH]cc(CC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c12 783077530 SRZUYFVUSXSXDP-QGZVFWFLSA-N 435.936 5.762 30 20 IKED COc1cc([C@@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)ccc1SC(F)F 786960919 YCIPIQQCSPERJT-OAHLLOKOSA-N 445.535 5.766 30 20 IKED C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc([C@H](C)Sc3ccccc3)cc2)n1 788625622 LQTRRVPIGXSSSG-FQEVSTJZSA-N 448.592 5.050 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H](c2ccc(Br)cc2F)C2CC2)ccc1OC 794809622 GZAUGJPJHJWMNK-VGOFRKELSA-N 447.348 5.519 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccnn2-c2ccccc2)cs1 798371576 DXXRONUMXLLCFI-XFXZXTDPSA-N 448.935 5.563 30 20 IKED N#Cc1cc(N[C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)ccc1N1CCC(O)CC1 799722606 LZGQDACHKNWPLL-FXAWDEMLSA-N 429.486 5.286 30 20 IKED CCOc1ccc(-n2c(SCCO[C@@H](C)C#N)nnc2-c2ccccc2Cl)cc1 801653714 KMDSQZHAWIADEA-HNNXBMFYSA-N 428.945 5.007 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@@H](OC(=O)c1cc(C#N)ccc1Cl)C(F)(F)F 808466937 SKMOVORUJQYDLJ-LJQANCHMSA-N 433.817 5.475 30 20 IKED CN(CCC#N)c1ccc(CN(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)cc1 809767234 IAURFMANOZDERX-UHFFFAOYSA-N 438.497 5.653 30 20 IKED CCOc1c(Cl)cc(C=NOCc2cc(Br)ccc2OC)cc1OC 836737454 ROYLUMUSVNZABM-UHFFFAOYSA-N 428.710 5.069 30 20 IKED COc1ccccc1N=C1SCCN1C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 914838832 LWBWWBLCEBVTPH-UHFFFAOYSA-N 445.544 5.133 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc1 915353510 OCVVKXVUXIRNCW-ISKFKSNPSA-N 431.561 5.617 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2ccc(Cl)cc2[N+](=O)[O-])cs1 915976393 STYCRRJVVIHTGR-UHFFFAOYSA-N 443.916 5.452 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CC2)cc1 916211981 ISSLVYXCVDQWDV-QGZVFWFLSA-N 448.375 5.425 30 20 IKED Cc1nc2ccccc2c(=O)n1N=Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 916292830 NOYYCEFIHZRMSO-UHFFFAOYSA-N 439.906 5.093 30 20 IKED Cc1cc(OCC(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1C(C)C 916882692 AMEZEGRKLOGGCJ-LJQANCHMSA-N 432.492 5.160 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cnc(-c2ccccc2)s1 916888755 YFOKHICRWRVXMV-OAHLLOKOSA-N 429.473 5.086 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc2cc(Cl)ccc2o1 916906041 AWNNHPIUTDBCSO-GOSISDBHSA-N 430.847 5.840 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(CSc2ccccc2)cc1 916926186 UQWJOQOCTJDVSE-OAQYLSRUSA-N 430.529 5.339 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(NC(=O)c3ccco3)cc2C)cc1 916956258 ZBISWNYWFLIEMK-KSSFIOAISA-N 449.532 5.377 30 20 IKED Cc1cc(CSc2ccccc2C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)on1 917046162 GOPXTDOEJLBHQF-INIZCTEOSA-N 439.949 6.029 30 20 IKED N#C[C@@H](C(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1nc2ccccc2o1 917510036 IJMREIFIOLVPHP-KRWDZBQOSA-N 441.537 6.220 30 20 IKED Cc1sc2ncn(N=Cc3cc(-c4ccccc4)cs3)c(=O)c2c1-c1ccccc1 917538744 NUPYBEHLBKUXPS-UHFFFAOYSA-N 427.554 6.044 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2nc3ccccc3s2)cs1 917560159 SAPMDXOGQKNGQI-FLIBITNWSA-N 439.949 5.987 30 20 IKED COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)cc1F 917613800 MSNHOZMQFZBMPC-BJMVGYQFSA-N 437.423 5.226 30 20 IKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2oc3c(C)ccc(C)c3c2C)nc1C 919965568 LTEWPRGFHYJDCK-UHFFFAOYSA-N 439.566 5.108 30 20 IKED CCCOc1ccc2c(c1)C(=O)/C(=C/c1csc(N(C(C)=O)c3ccc(C)cc3)n1)CO2 920068750 BFUNCWOSHHKHGM-LDADJPATSA-N 448.544 5.584 30 20 IKED C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 920266915 BJGKKTYLEKHONQ-BXUZGUMPSA-N 434.373 5.869 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cn4c(F)cccc4n3)CCC2)cc1 1785843192 VBFFXFBRQWEDQM-UHFFFAOYSA-N 448.542 5.214 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cn(C)cc3C(F)(F)F)cc2)CCC1 1788826035 LMFODDJEMCMMMQ-HNNXBMFYSA-N 433.474 5.004 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc5ccccc45)CCC3)cc2)cc1 1790287747 RAXRQFUFLHSHIK-UHFFFAOYSA-N 446.510 5.168 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)cc2)CCC1 1790946760 QKHRDWYQYWKGLX-UHFFFAOYSA-N 439.515 5.752 30 20 IKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4c(Cl)cncc4s3)CCC2)cc1 1791575206 ZZAGIJQVTKZQLU-LBPRGKRZSA-N 445.997 5.016 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C)nc3C)cc2)CCC1 1791770745 JDJCZSAJZBELCD-VWLOTQADSA-N 445.607 5.534 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3occc3c2)[nH]n1 1819554499 CZKUXPFADPFKKK-HXUWFJFHSA-N 434.540 5.454 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)c2cccs2)n[nH]1 1822705235 GQLINYDOAWDDHB-FUHWJXTLSA-N 428.602 5.259 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCCCC2(F)F)CC1 1823751221 MMSMJURZQLUHJM-SFTDATJTSA-N 438.603 5.424 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)cc2F)CC1 1824143395 NBQKEILVHZIYTP-XMMPIXPASA-N 426.576 5.136 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc(C(F)F)c2)CC1 1825404155 DZKWEWNIAGHYNP-RBBKRZOGSA-N 445.554 5.021 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(C)snc3s2)CC1 1831371217 VPMPWXQGRQVBQR-KXBFYZLASA-N 445.654 5.112 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccccc2)cc1 10170853 WQVCQCLTBQVRDY-UHFFFAOYSA-O 437.654 6.607 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(OC)cc2)C(C)C)nnc1-c1ccc(F)cc1 10534350 OPCNTZGIODEVSH-HXUWFJFHSA-N 440.544 5.034 30 20 IKED Cc1cccc(C)c1N/C(S)=C(\C(=O)c1ccc(C(C)C)cc1)[n+]1cccc(CO)c1 11153614 CYNPFDQUGRZYCD-UHFFFAOYSA-O 433.597 5.258 30 20 IKED CCCOc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1 15189083 TXUQBNHSRPHJRJ-YRNVUSSQSA-N 442.487 5.791 30 20 IKED C=CCn1c(SCC(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccccc1OC 21752201 ZSVLTKFAXIWVIK-UHFFFAOYSA-N 436.581 5.302 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)c(C)[nH]1 23604056 YOPSBTMQPBTSDN-UHFFFAOYSA-O 441.020 5.921 30 20 IKED Cc1ccc(OCc2nnc(S[C@H](C)C(=O)/C=C3/N(C)c4ccccc4C3(C)C)o2)cc1 31621048 DJWSQOJYFYTEIA-FEMWLQECSA-N 449.576 5.318 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 61191322 LIXJGBRXIXTSOA-UHFFFAOYSA-N 446.359 5.957 30 20 IKED CC(C)c1ncc(Cl)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1 195721281 XZLVGBURKYAWOX-KRWDZBQOSA-N 425.319 5.815 30 20 IKED COc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1OCc1ccccc1 217003284 OGBNNZPIHQGXBR-SFHVURJKSA-N 432.545 5.778 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CN[C@@H](C)c2cccc(C#N)c2)cs1 237629336 FAROWIHBCTXPKQ-AWEZNQCLSA-N 444.482 5.569 30 20 IKED Cc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3SC[C@H](C)C#N)c(Cl)cc12 303297458 NXTCNVAZCMCFFZ-CYBMUJFWSA-N 442.924 5.024 30 20 IKED N#Cc1cccnc1OC1CCC(N[C@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 426025442 VRODGNNMKNZFGA-KXTRFFEISA-N 432.955 5.265 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)N(CCC#N)Cc2ccco2)c(C(F)(F)F)c1 426100157 LCJWFMZGJLMRIU-CQSZACIVSA-N 425.476 6.137 30 20 IKED Cc1ccccc1CNc1ccccc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 430280416 XMNUZMGUGOQWNV-UHFFFAOYSA-N 435.531 5.637 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)s2)cc1OC 430597428 AHYYUQPZRMKHFC-AWEZNQCLSA-N 441.578 5.380 30 20 IKED N#CCCC[C@H](NC(=O)Nc1cccc(NC(=O)CCN2CCCCC2)c1)c1ccccc1 433174119 JWRGAKPZKSNUFN-DEOSSOPVSA-N 447.583 5.058 30 20 IKED C[C@H](C#N)C(=O)Nc1ccccc1CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 435362314 BPYFVKPTBLCWSW-GOSISDBHSA-N 432.527 6.122 30 20 IKED CC[C@@](C)(NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1nc(C)cs1 437746090 MPAGWUCEKVUOOI-XMMPIXPASA-N 434.565 5.544 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NC3CCC4(CCOCC4)CC3)cc2F)c1 438662062 VZMFINWQRPVHEY-UHFFFAOYSA-N 437.515 5.137 30 20 IKED CCCc1c(NC(=O)N2CCC(COc3ccccc3)CC2)cnn1-c1cccc(C#N)c1 439679968 ZBKHIBUEMJFYSZ-UHFFFAOYSA-N 443.551 5.019 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC[C@@H](Cc2nccn2C)C1)c1ccc(C(F)(F)F)cc1 442285043 PCKNQLWXCCFHBG-FXAWDEMLSA-N 434.506 5.111 30 20 IKED Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)c1cn(CCCC#N)c2ccccc12 444135691 CMAUHZPLOYZXIK-RUZDIDTESA-N 437.547 5.628 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H]1c1ccc(C)s1 460784288 RKYRFZGIBPJFBW-FUDKSRODSA-N 434.609 5.811 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)cc1 462277044 UVZCMFSWOOOZMW-JYFHCDHNSA-N 441.531 5.373 30 20 IKED N#CCCCC(=O)Nc1ccccc1CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 463085869 NVUFJOSNTYFBTM-UHFFFAOYSA-N 446.554 6.656 30 20 IKED O=C(Nc1ccccc1F)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 468760542 AQMXIWACTCXOID-MRXNPFEDSA-N 436.327 5.469 30 20 IKED COc1ccc([C@H](NCC(=O)N(CCC#N)c2cccc(C)c2C)c2ccc(F)cc2)cc1 470526243 BUEATVYZTUQZAR-HHHXNRCGSA-N 445.538 5.077 30 20 IKED N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)cc1 470746113 RHAKGNRVMKWZRW-OAQYLSRUSA-N 431.442 5.071 30 20 IKED Cc1nnc(-c2cc(F)ccc2NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)o1 471384832 PQAUDRDPSNLUCZ-UHFFFAOYSA-N 448.841 5.754 30 20 IKED Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)csc1Br 475406630 BTKUYOYKAIGGCD-UHFFFAOYSA-N 449.317 6.096 30 20 IKED N#CC[C@H](CC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1)c1ccccc1 475776021 CDUMUKYMKNAJMO-RSXGOPAZSA-N 437.543 5.690 30 20 IKED CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H](c1cccnc1)c1csc2ccccc12 475904704 ZQXOGXHXTDMAMB-VWLOTQADSA-N 439.584 6.349 30 20 IKED N#CC[C@H](CC(=O)N1CCCCC[C@H]1c1noc(-c2ccc(F)cc2)n1)c1ccccc1 476673785 YWRKHSXJOBXXDU-IRLDBZIGSA-N 432.499 5.407 30 20 IKED C=CCn1c(SCc2nc(-c3ccccc3Cl)cs2)nnc1-c1ccncc1 478841012 KSYPDVUXCDUBEQ-UHFFFAOYSA-N 425.970 5.595 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@@H](C#N)c1nccc2ccccc12 483214495 OBCYJGGJDTVTPW-SFHVURJKSA-N 445.931 6.001 30 20 IKED COc1cccc2c1CCN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)cc1C)CC2 488277180 JXTSETLJCXUCMM-UHFFFAOYSA-N 441.531 5.087 30 20 IKED CC(=O)c1ccc(C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)[nH]1 499047677 JFKBKZBSESTTRN-CYBMUJFWSA-N 446.269 5.288 30 20 IKED COc1ccc(NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1Oc1ccc(C)nn1 499895428 OLSZOYBXBDESFW-OAHLLOKOSA-N 449.536 5.482 30 20 IKED N#C[C@H](NC(=O)c1cccc([C@@H]2CCCOC2)c1)c1ccc(OCc2ccccc2)cc1 501131577 YTBBLGKZSIIYHC-RSXGOPAZSA-N 426.516 5.154 30 20 IKED CCN(CC)C(=O)c1ccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1Cl 503630601 SDPLTQXZLBVZHJ-UHFFFAOYSA-N 436.943 5.015 30 20 IKED N#Cc1ccc(CN(C(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)C2CC2)cc1 504455082 BBSDKHFKZKFWAD-HHHXNRCGSA-N 437.543 5.347 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4sc(N(C)C)nc4s3)n2)cc1 505716103 CTZKZJUBPNSDAC-ZDUSSCGKSA-N 440.575 5.046 30 20 IKED COc1ccccc1OCc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)o1 505933684 LLWQQZFSVYSRTK-QGZVFWFLSA-N 431.275 5.169 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCCOc3ccccc32)cc1 508289970 QMNNIFYCYGDWEN-NRFANRHFSA-N 429.476 5.395 30 20 IKED Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 508726637 WASZDIZHEUJEEE-UHFFFAOYSA-N 442.475 5.464 30 20 IKED Cc1sc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccc(Cl)cc2)c(C#N)c1C 508926000 URGQUFVZCGWPBM-AHRSYUTCSA-N 441.984 5.302 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1 510979411 DISGDHXSHWEMRQ-KRWDZBQOSA-N 434.565 5.335 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F 511872726 JDEUKPONBXQBJV-HKUYNNGSSA-N 429.536 5.034 30 20 IKED N#C[C@@H](C(=O)c1cccc(COc2cccc(F)c2)c1)c1nc(-c2ccncc2)cs1 512949386 WDYOFPYSKQULNY-NRFANRHFSA-N 429.476 5.413 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc(Cl)c1OCCC(C)C 513191561 PPCWRKGKXQRYQP-OAHLLOKOSA-N 440.849 5.677 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N[C@H](c2ccccc2)c2nccs2)c1 513227214 OUPRRBAUFJGNCV-HSZRJFAPSA-N 425.513 5.113 30 20 IKED CC(C)(C)O[C@@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1 513803997 QAVDTPZFERGHPI-GOSISDBHSA-N 438.578 5.197 30 20 IKED CCOc1ccc(NC(=O)[C@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 517460989 JGEOACBVWGFQTE-AWEZNQCLSA-N 437.487 5.549 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 518257036 YACZZJMJABMVRX-GOSISDBHSA-N 436.581 5.029 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)C3(Cc4cccs4)CCCCC3)CC2)c(F)c1 518266603 AYLCXUWDYJZWKV-UHFFFAOYSA-N 426.557 5.322 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](COc1ccccc1F)c1ccccc1 518683166 KQDCHNDODXICQD-AVRDEDQJSA-N 449.551 6.019 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccn(-c2cccc(Br)c2)n1 518738906 DQNQQINSJNNFGF-CQSZACIVSA-N 441.354 5.281 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccccc1SC[C@H](C)C#N 519433771 CDRXZPZMGOZWRL-OAHLLOKOSA-N 438.984 5.706 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(CCc1ccccc1)Cc1ccccc1 519449391 BZZUVFYJGITCNQ-NRFANRHFSA-N 429.589 6.215 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 520144909 HJPVBTCIWZUEPH-IBGZPJMESA-N 446.507 5.028 30 20 IKED N#C[C@H](NC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccc(Cl)c(Cl)c1 520270877 JBVZVOJQGBSLEA-HNNXBMFYSA-N 428.300 5.858 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1OCc1ccccc1 520940144 GIJHNUYFGMFPGV-IBGZPJMESA-N 431.561 5.982 30 20 IKED COCCSc1ccc([C@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 521746288 FFHGIBCTWAJRPC-SJORKVTESA-N 429.611 5.560 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)NCCSCc3ccccc3C#N)ccc21 522319914 WGRZZRCLLACQDL-UHFFFAOYSA-N 446.498 5.171 30 20 IKED COc1cc(CSc2nnc(-c3ccc(C)cc3)o2)ccc1OCc1cccc(C#N)c1 522573169 IDXXQUJRSNCOKC-UHFFFAOYSA-N 443.528 5.797 30 20 IKED C=CCOc1ccccc1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 522720090 PMZKIIUNZFWHDL-AVRDEDQJSA-N 432.486 5.083 30 20 IKED C[C@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1nc2ccccc2n1C(F)F 523127772 DCJQOQYVMJRYNS-HNNXBMFYSA-N 431.446 5.538 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CN2Cc3ccccc3-c3ccccc3C2)cc1 523200560 FDKLRJDKTBLPAG-UHFFFAOYSA-N 425.532 5.015 30 20 IKED CCN1CCC(n2nccc2NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 523975853 WSCBEADPCQRJBY-UHFFFAOYSA-N 449.942 5.110 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(O)ccc3C(F)(F)F)cc2F)c1 530286872 KFYNTOUCHSVDES-UHFFFAOYSA-N 430.357 5.253 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@](C)(C#N)CCc1ccccc1 533505058 BFEVJRTUVQRULK-DEOSSOPVSA-N 435.524 5.093 30 20 IKED O=C(c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)N1CCC(O)(C(F)(F)F)CC1 534916748 HKRXLKDJGHRTMT-UHFFFAOYSA-N 435.339 5.041 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC3(c4ccc(F)cc4F)CCOCC3)cc2)cc1 535534443 DVJGGBPITJGHMC-UHFFFAOYSA-N 449.457 5.456 30 20 IKED CC[C@@H](C)n1ncc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C1CC1 536486225 RTUYENHVFOEZNM-IIBYNOLFSA-N 447.970 6.684 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](Cc1ccccc1)c1ccccc1F 539361148 KBGVUXAFOLJXOC-CYFREDJKSA-N 447.579 5.590 30 20 IKED COc1cc(CN[C@@H](C)c2cccc(OC(F)F)c2)ccc1OCc1cccc(C#N)c1 540321048 SERJBGRFCLUQSW-KRWDZBQOSA-N 438.474 5.598 30 20 IKED C[C@H](NC(=O)N(C)Cc1nc2ccccc2s1)c1ccc(-c2cccc(C#N)c2)cc1 541155755 DJBIYJYORSMVIA-KRWDZBQOSA-N 426.545 5.738 30 20 IKED Cc1cc(N2CCCC2)ccc1NC(=O)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542013125 FIKOOUMNECLZSY-OAQYLSRUSA-N 438.575 5.423 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2occc2CSc2ccccc2)n1 542019639 JCMUVNYESZZLNZ-UHFFFAOYSA-N 434.908 5.535 30 20 IKED Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 542299342 BGYOZURYUGCINL-UHFFFAOYSA-N 440.459 5.218 30 20 IKED Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 542349730 KNXVFCVJWUQIAD-LJQANCHMSA-N 430.552 5.078 30 20 IKED CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 543870816 NPZFMJYHLHYBOM-HNNXBMFYSA-N 432.911 5.720 30 20 IKED Cc1ccc(C[C@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c2ccccn2)cc1 574561577 NFLPJTMISKIRQJ-SANMLTNESA-N 449.514 5.555 30 20 IKED CN(CCOCc1ccc(C#N)cc1)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 578933615 UZSVTYGQWRHUHW-UHFFFAOYSA-N 446.359 5.277 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)Cc3csc(Cc4ccc(F)cc4)n3)cn2)c1 604452021 DOBLHFAGJZRPIH-UHFFFAOYSA-N 444.491 5.113 30 20 IKED COc1ccc([C@@H](NCCC(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc2)cc1 604475140 DVPACUIUOZVCQW-VWLOTQADSA-N 445.588 5.215 30 20 IKED C=CCN(C(=O)c1ccc(Oc2ccc(F)cc2)cc1)c1nc(C(=O)OCC)cs1 604534101 XQUWGOXFBIEKLS-UHFFFAOYSA-N 426.469 5.084 30 20 IKED C=CCCCN(C)C(=O)C(=O)Nc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1C 607426915 AUJYTUCNAXMSQT-UHFFFAOYSA-N 436.531 5.095 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F 608915813 VZKYIGOCEYMLFL-UHFFFAOYSA-N 425.838 5.595 30 20 IKED N#Cc1c(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)sc2c1CCCCC2 608931265 PLAHCMHNEGKMJT-UHFFFAOYSA-N 436.606 5.353 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c1 609082186 CXDBITXURZFAHX-MRXNPFEDSA-N 426.250 5.835 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)c1 609184696 CULPXUHOASBBKP-UHFFFAOYSA-N 439.540 5.265 30 20 IKED COc1ccc(-c2nc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cs2)cc1OC 609377489 VSAILMJPTWKWFI-CQSZACIVSA-N 439.562 5.331 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2cccc(CSC3CCOCC3)c2)c1C#N 609703460 MQKQFSJBJUSWNK-UHFFFAOYSA-N 439.606 5.217 30 20 IKED COc1cc(CSc2nnc(-c3ccccc3F)o2)ccc1OCc1cccc(C#N)c1 609722041 XZMPHSQFAVJDAW-UHFFFAOYSA-N 447.491 5.627 30 20 IKED CN(C)c1cccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 609811264 WXHJXFGXNQZRHK-RUZDIDTESA-N 426.520 5.786 30 20 IKED Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)N1CCCN(c2ccccc2C#N)CC1 609936532 JYUYHJUCNSHQTG-HSZRJFAPSA-N 444.604 5.134 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N3CCC(C(F)(F)F)(C(F)(F)F)C3)c2)cc1 609991679 QKKMZHWXXVSNAT-UHFFFAOYSA-N 427.348 5.259 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)CSCc3ccc(C#N)cc3)s2)cc1 610050761 GPBQLHFBPALYHY-SFHVURJKSA-N 435.618 5.751 30 20 IKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)N[C@@H](C)c1cccc(C#N)c1 610357465 NFOUPKVQOQZQMN-SFHVURJKSA-N 449.576 5.500 30 20 IKED CSc1cccc([C@@H](NC(=O)NCc2ccc(C#N)cc2F)c2ccc(F)c(F)c2)c1 610402311 HQSSQXOEJYJQHU-JOCHJYFZSA-N 441.478 5.286 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)c3sc(-c4ccccc4)nc3C(F)F)c2C#N)C1 611184121 PAIKCZNIDVUFAD-NSHDSACASA-N 429.517 6.058 30 20 IKED N#Cc1ccc(NCc2nc(-c3ccc(Oc4ccccc4C(F)(F)F)nc3)no2)cc1 612949304 ACSMDGGOBFWNEN-UHFFFAOYSA-N 437.381 5.426 30 20 IKED Cc1ccn2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)nc2c1 613347217 XGFZGLAGGRJNGF-AWEZNQCLSA-N 427.316 5.563 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnn1-c1ccccc1 613404401 LNSJHEQXAWVOGK-HNNXBMFYSA-N 426.423 5.299 30 20 IKED O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618539154 HXKNAKPQPBKXJP-HTQZYQBOSA-N 442.709 5.953 30 20 IKED O=C(CCOCC(F)(F)C(F)(F)F)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 622594273 PDSYVFFEEQGRPE-CYBMUJFWSA-N 433.339 5.016 30 20 IKED CC(C)Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)cc1 642524994 XWNJHFQMZGBPBC-UHFFFAOYSA-N 431.580 5.813 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCCOc2ccccc2F)cc1 726097750 OOPMNFSFYSQWNE-UHFFFAOYSA-N 435.474 5.017 30 20 IKED C=CCOc1ccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccccc3)s2)cc1Cl 727263804 IQFUGQWHSCIMKK-FOWTUZBSSA-N 432.332 5.746 30 20 IKED C#Cc1cccc(N(CC)C(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1 728481239 RFLPTPKSGPAICH-XMMPIXPASA-N 430.935 5.236 30 20 IKED C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1cccc(OCc2ccccc2C#N)c1 732022435 XRWYZQOALNVULH-BVFVYWQFSA-N 426.516 5.128 30 20 IKED CC(C)c1ccc2c(Cl)c(C(=O)OCC(=O)Nc3ccc(CC#N)cc3)sc2c1 732683555 CECYDZHYXVNUDH-UHFFFAOYSA-N 426.925 5.540 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 732900966 GOWXEJUJBVZCQR-NRFANRHFSA-N 442.421 5.871 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)cc1 733033135 DDQBATOSDORZGO-VWLOTQADSA-N 447.485 5.979 30 20 IKED COc1ccc(-c2ccc(C(=O)N[C@@H](C#N)c3ccccc3Br)c(F)c2)cc1 733266652 LMTPPHIOKMPYPN-NRFANRHFSA-N 439.284 5.258 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NC[C@@H](O)c2ccccc2Cl)c1 740931724 OUVFBXUFFPSXOL-HXUWFJFHSA-N 427.287 5.121 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 743196160 FGLYKTUHEFALEE-UHFFFAOYSA-N 431.442 5.083 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Nc2ccc(Oc3ccc(Cl)cn3)cc2)cc1 743486135 ZIRUOLHJTMWHKO-SFHVURJKSA-N 434.927 5.583 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(OC2CCC2)cc1 744029223 QFUXJGPPMGERIM-QFIPXVFZSA-N 426.472 5.371 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 744029837 XDKJGDFHLPWOIF-HXUWFJFHSA-N 444.412 5.885 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ncc(-c3ccc(OC)cc3)o2)cc1 746416381 LNFRCINFDIHAPG-VGSWGCGISA-N 445.519 5.144 30 20 IKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2cnn(C(C)C)c2)c1 746686416 BBYDFPCODUAYNP-BENRWUELSA-N 442.519 5.230 30 20 IKED COc1cccc(NC(=O)/C(=C/C=C\c2ccccc2[N+](=O)[O-])C(=O)c2ccccc2)c1 750902028 UPPSRKINVCLPGN-GFWODVRGSA-N 428.444 5.065 30 20 IKED C/C(=C/C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1OC(F)F 753396072 RTXLTJVGMRRCMA-KOTGUFOOSA-N 439.245 5.346 30 20 IKED C=CC[C@@H](N[C@@H](C)c1cc(Br)cc(Br)c1O)c1ccncc1 756582947 LTWVONYDJGLHMO-MEDUHNTESA-N 426.152 5.280 30 20 IKED C=C(C)Cn1c(SCc2nc(Cc3cccc(F)c3Cl)no2)nnc1-c1ccco1 762129683 FUPKSJXXYSJPCJ-UHFFFAOYSA-N 445.907 5.173 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c2ccccc21 767487821 MSRHMQSDNTWEMJ-UHFFFAOYSA-N 436.515 5.127 30 20 IKED CCCC[C@@H](ON=C(C)C)C(=O)O[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 767751712 QMHWPNOEXMMTBA-BLLLJJGKSA-N 428.316 5.619 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)c1cn(CCCC#N)c2ccccc12 769542176 MBWHMUUYHCDNLR-IBGZPJMESA-N 431.536 5.561 30 20 IKED COc1ccc2nc(C)c(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2c1 770119490 PYEOIHFMAMLLFT-INIZCTEOSA-N 435.455 5.444 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OC[C@@H](C#N)Cc1cccs1 772735808 MAEATSVRYIJYKN-HUUCEWRRSA-N 446.981 5.604 30 20 IKED O=C(/C=C\c1nc2ccc(Br)cc2s1)c1ncc(Br)s1 773142860 HCQVRCAUYQDVFO-ARJAWSKDSA-N 430.146 5.174 30 20 IKED Cc1cc(C[C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)n(-c2ccccc2)n1 773263534 XCUJCUYLQCANBA-DCFHFQCYSA-N 449.558 5.589 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@H](CCC#N)c1ccccc1 777602271 ISVVRQHLHUVOJZ-PKTZIBPZSA-N 448.567 5.755 30 20 IKED C=CCC[C@@H](C(=O)OCc1csc(N(C(C)=O)c2ccc(C)cc2C)n1)c1ccccc1 778559388 PUCASIKIVMODCX-HSZRJFAPSA-N 448.588 6.238 30 20 IKED Cc1cc(C#N)ccc1NC1CCC(OC(=O)CCCc2nnc(-c3ccccc3)o2)CC1 779236026 VQUUFCKGIGWAQR-UHFFFAOYSA-N 444.535 5.206 30 20 IKED CCCOc1c(Br)cc(CNc2ccccc2O[C@@H](C)C#N)cc1OCC 779989099 NOUVKNIFGOZSEX-HNNXBMFYSA-N 433.346 5.540 30 20 IKED CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 779993930 PBOFITJVQUHOCX-RUZDIDTESA-N 431.492 5.209 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CCC2 780153016 YTNAAMHXSQAOHV-BDBAMQCISA-N 449.510 6.248 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cnc(-c2ccc(F)c(F)c2)s1 780305383 IRBYQVMTCDKKJL-INIZCTEOSA-N 439.487 5.174 30 20 IKED COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)NCc2ccc(OCC#N)cc2)c1 784267921 RAWILGHNRFFEMG-CLJLJLNGSA-N 441.531 5.038 30 20 IKED COCCCn1c(NN=Cc2c(Cl)cccc2SC(C)C)nc2ccccc2c1=O 786038037 LQKIDMWJKGCSHE-UHFFFAOYSA-N 444.988 5.033 30 20 IKED COc1cc([C@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)ccc1SC(F)F 786960918 YCIPIQQCSPERJT-HNNXBMFYSA-N 445.535 5.766 30 20 IKED C(=NNc1nnc(-c2ccccn2)s1)c1cn(Cc2ccccc2)nc1-c1cccs1 788029145 QZVZOJZOJXWHFU-UHFFFAOYSA-N 443.561 5.019 30 20 IKED COc1ccccc1-c1ncc(/C=C/C(=O)c2ccc(SCC(F)(F)F)cc2)cn1 792886397 UESGQQCMMVMAKX-IZZDOVSWSA-N 430.451 5.703 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1 796040480 HWIDWCRPRMDVIX-DEOSSOPVSA-N 442.515 5.423 30 20 IKED C#CC[C@H](Cc1ccccc1)NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 803524553 ZMBKZYGFOWLOFM-LJQANCHMSA-N 428.479 5.122 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)cc1 808815124 ASWZHIFPTUCJKM-PKTZIBPZSA-N 441.535 5.752 30 20 IKED CCc1ccc([C@H](C#N)N(C)C(=O)COc2ccc(C3SCCCS3)cc2)cc1 813377020 GQRRDASYODYHBK-NRFANRHFSA-N 426.607 5.220 30 20 IKED C=CCN(C(=O)Cc1csc(C)n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 887805939 QIMHCWMDMYEWSJ-UHFFFAOYSA-N 431.586 6.004 30 20 IKED Cc1ccc(-n2ncc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c2C(C)C)cc1 915180296 NIFVTVGPWQFGOU-VWLOTQADSA-N 434.543 6.212 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCCOc1cccc2ccccc12 916911132 ZJIVNPNNPAJVRK-HSZRJFAPSA-N 428.532 5.471 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3cc(Br)ccc3F)n2)cc1 916973413 XDABZHMFSATEHR-SKHCZCESSA-N 441.325 5.910 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N(c2ccccc2)c2nc3ccccc3s2)cc1OC 917524836 FIPXIFOGPAUGTM-PEZBUJJGSA-N 442.540 6.248 30 20 IKED CSc1cc(C2=NNC(=Nc3ccc(Cl)cc3Cl)SC2)ccc1NC(C)=O 917625999 BKRNVBGSDHKBTQ-UHFFFAOYSA-N 439.393 5.402 30 20 IKED COc1ccccc1OCCN(C)C(=O)c1ccccc1SCc1ccc(C#N)cc1 918366253 HBPPULKMVSDXCV-UHFFFAOYSA-N 432.545 5.010 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCCc3nc4ccccc4s3)n2)cc1 920139230 OZTSVGRNUYYDSH-SFHVURJKSA-N 447.585 6.018 30 20 IKED CCN(CC)CCN(Cc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 921112362 ANKRSPKNEGDHNV-HHHXNRCGSA-N 440.591 5.718 30 20 IKED N#CC(CCSc1nnc(O)n1CCc1ccccc1)(c1ccccc1)c1ccccc1 1643427622 UYPDGPHKGPAVRE-UHFFFAOYSA-N 440.572 5.218 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@H]3OCCc4ccccc43)cc2)CCC1 1786314334 PZTDEUQXYNPAMX-YADARESESA-N 432.564 5.037 30 20 IKED COc1cccc(Cl)c1C(=O)NC1(c2ccc(NC(=O)[C@@H](S)C(C)C)cc2)CCC1 1786395703 GQDFLWPEAJWUHQ-FQEVSTJZSA-N 447.000 5.051 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCc5ccccc54)CCC3)cc2)cc1 1790708624 KTAXNBWIZNHBHM-AREMUKBSSA-N 449.554 5.230 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(C)ccc2C)cc1 1800513239 CXVDZDNXLISOKE-BIGMCNFVSA-N 445.607 5.114 30 20 IKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc(Cl)cc1Cl 1801553856 JOMHQXIOAHAHLJ-WKCHPHFGSA-N 449.422 5.333 30 20 IKED C=CCC(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(CCCCC)cc2)[C@@H]1c1cccnc1 1813052473 LPMUPMPOMCBTTP-VDSHTBCZSA-N 445.607 5.110 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2F)[nH]n1 1814823887 AZBXMYYJJLVKAV-HXUWFJFHSA-N 444.938 5.277 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2CCC(F)(F)CC2)[nH]n1 1819552695 XJXWJPTYULGMQN-SFHVURJKSA-N 436.547 5.220 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c4cccc(Cl)c34)CC2)C1 1823700142 GYSYOFNLPYRRKL-JOCHJYFZSA-N 439.987 5.021 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](CCC)n2cccc2)CC1 1828825075 QKKPUAVEVQABTO-DSITVLBTSA-N 439.644 5.217 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/Sc2ccc(C)cc2)CC1 1828879349 HDXVQJVOIVOFFR-CWWZCEDNSA-N 440.653 5.433 30 20 IKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccoc2C)CC1)c1ccccc1 1829029613 DHESYPUETIEBCM-CLJLJLNGSA-N 446.591 5.019 30 20 IKED CC(C)=CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1830257159 IKTLKGSNZBQOBS-QHCPKHFHSA-N 442.003 5.191 30 20 IKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)CC1 1830423775 XXFPMJXECGCHRO-OFNKIYASSA-N 447.664 5.014 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C(F)(F)F)coc2C)CC1 1831370391 MCDJUQMVQSTQEF-KXBFYZLASA-N 440.506 5.052 30 20 IKED C[C@H](C#N)Sc1nc2sc3c(c2c(=O)n1-c1cccc(C(F)(F)F)c1)CCCC3 8642139 UWLWAYRJOPUFGD-LLVKDONJSA-N 435.496 5.349 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(CSc2nc(C)cc(C)c2C#N)cs1 10266931 QTZKDTKUBUEUQJ-UHFFFAOYSA-N 428.970 5.657 30 20 IKED C=CCNc1nnc(SCc2nc3scc(-c4ccccc4Cl)c3c(=O)[nH]2)s1 11526705 GXGMKEAOLNHLPA-UHFFFAOYSA-N 447.998 5.047 30 20 IKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1C 11983952 SDFVQXVALWHMNH-UHFFFAOYSA-N 426.929 5.046 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2F)nnc1-c1ccc(Cl)cc1 16862764 TWVSJPVUIGAMBC-LBPRGKRZSA-N 434.899 5.182 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1cccnc1 18404747 YONBKQFHPULFOZ-UHFFFAOYSA-N 443.532 5.049 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(F)ccc1F)=C(/S)Nc1cccc(Cl)c1 22730579 AODSBVSWGKFQFF-UHFFFAOYSA-O 431.915 5.519 30 20 IKED C=CCN(Cc1nc(-c2ccccc2)oc1C)S(=O)(=O)c1cccc(C(F)(F)F)c1 25150387 UFVUKZOKCIJYDB-UHFFFAOYSA-N 436.455 5.046 30 20 IKED N#CCSCC(=O)NC[C@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 32976941 SMBMSKDSHXIIHU-JOCHJYFZSA-N 425.557 5.340 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1csc(-c2cc(Br)cs2)n1 62905544 LGTWLZZUCCDAAC-UHFFFAOYSA-N 444.379 5.334 30 20 IKED COc1ccc(CNCc2ccc(-n3cnc4ccccc43)cc2)cc1OCCCC#N 64614616 RBHXLBRWINJKTO-UHFFFAOYSA-N 426.520 5.006 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)CSCc3coc(-c4ccccc4)n3)s2)cc1 97403354 UNLGPCMIRFSDAH-UHFFFAOYSA-N 446.557 5.132 30 20 IKED N#Cc1cccc(COc2cccc(NCC(=O)Nc3ccccc3Cc3ccccc3)c2)c1 108345988 VUKWGGGHLZTLPP-UHFFFAOYSA-N 447.538 5.779 30 20 IKED CCN(C(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1)[C@H](C)c1ccc(C#N)cc1 220106405 ODBYJQZWZURHFO-OAQYLSRUSA-N 433.555 6.234 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)Cc1ccc(OCC#N)cc1 303415931 BGUZMGWAHOPCFE-AWEZNQCLSA-N 425.941 5.094 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3c[nH]nc3-c3ccc(Cl)s3)n2)cc1 426505262 VAUFTILEMNUYKJ-ZDUSSCGKSA-N 435.921 5.277 30 20 IKED CCn1ncc2c(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)cc(-c3ccccc3)nc21 430620985 IUZCLXUHSZLQIE-QGZVFWFLSA-N 429.549 5.362 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N(CC)[C@H](C)Cc2ccccc2C(F)(F)F)cc1 431972693 XAELOLTXZQHYQD-MRXNPFEDSA-N 433.474 5.106 30 20 IKED Cc1cc(C)c(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(Br)c1 431989097 YQCRBKHJTPNHMC-UHFFFAOYSA-N 428.330 5.013 30 20 IKED C[C@H](NC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 435796729 BHZFMBLSRDZIOH-YVEFUNNKSA-N 429.364 5.631 30 20 IKED Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)c12 437466873 LNNCHOZOXMVIRA-UHFFFAOYSA-N 428.423 5.464 30 20 IKED C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 437894674 YJJPGJIFWBSAPW-XDHUDOTRSA-N 442.494 5.565 30 20 IKED Cc1nn(C)cc1[C@H](C)NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 438519464 SMZDIPZZPJWGQQ-ZDUSSCGKSA-N 443.429 5.294 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccsc2Cl)c1 438559368 RGOQFLDYZDWLTN-UHFFFAOYSA-N 427.938 5.256 30 20 IKED COCCc1nc2cc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)ccc2o1 439987594 HFRIRHCDDIISKE-UHFFFAOYSA-N 427.460 5.127 30 20 IKED Cc1c(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cnn1-c1cccc(C(F)(F)F)c1 443877018 IJAFYGDDFHGVOE-UHFFFAOYSA-N 438.331 5.342 30 20 IKED Cc1nc([C@@H](NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c2ccccc2F)no1 444390230 TYMUZDVWXJBGBW-QFIPXVFZSA-N 443.438 5.092 30 20 IKED Cc1nc(N[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)c(Cl)cc1C#N 461943913 HUAIDJAVMKBIGZ-FQEVSTJZSA-N 446.359 5.174 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)[C@H]3SCCc4sccc43)cc2Cl)c1 463479639 CCDOOLRCXDRVSK-NRFANRHFSA-N 440.977 5.821 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cnnc(-c2ccccc2)c1 463954039 XRHWSFKQWZRUGY-UHFFFAOYSA-N 428.439 5.420 30 20 IKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)cc12 464418468 BTYKYPYJLDBSGV-INIZCTEOSA-N 444.413 5.438 30 20 IKED N#C[C@@H]1COCCN1C(=O)c1sc2ccccc2c1CSc1ccccc1Cl 465462562 FDAVQFOWGALGBL-CQSZACIVSA-N 428.966 5.212 30 20 IKED COc1cc(-c2nnc(S[C@H](C)CCC#N)n2C2CCCCC2)cc(OC)c1OC 470442077 JJFMYMCZKXNLMZ-OAHLLOKOSA-N 430.574 5.260 30 20 IKED C[C@H](Oc1cnc2ccccc2c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 470834352 UXNGSARLCBMSQL-IBGZPJMESA-N 437.499 5.286 30 20 IKED Cc1cc(Br)c(F)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 471558136 FCFJTZQLTMFDSX-UHFFFAOYSA-N 426.245 5.208 30 20 IKED CC(=O)Nc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc(C(F)(F)F)c1 472368611 OBIUDSDUZYEYQM-SFHVURJKSA-N 443.450 5.586 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCCCc1cc2c(OC)cc(OC)cc2[nH]1 475556996 XXUQQTCIDMSTDS-UHFFFAOYSA-N 435.568 5.791 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1C(=O)Nc1cc(C)ccc1OC 475570756 UFMUNBGVOVJAPV-JOCHJYFZSA-N 435.568 5.491 30 20 IKED CN(C(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)c1cc(Cl)ccc1C#N 479567933 HYLSNQYLEGATCX-UHFFFAOYSA-N 432.842 5.344 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@]4(C3)OCc3ccccc34)cc2)c1 480587386 NMUTXHASYODMQM-AREMUKBSSA-N 425.488 5.404 30 20 IKED CCc1c(C(=O)[C@@H](C#N)c2nccc3ccccc23)cnn1-c1ccc(Br)cc1 483190962 DICUZXYEKLAKQM-IBGZPJMESA-N 445.320 5.235 30 20 IKED Cc1ccc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)o2)c(C)c1 488839300 FQRHOFXKAOUFOT-UHFFFAOYSA-N 449.580 5.489 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3nnc(-c4cccc(Cl)c4)o3)o2)cc1 489810523 XKYOJJUYMKYABO-UHFFFAOYSA-N 426.885 5.297 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nc(-c2ccccc2)cs1 497863258 FGRNUTAOYFYJII-INIZCTEOSA-N 432.486 5.332 30 20 IKED COc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 498708995 YKSIKZXCCUKGNO-JOCHJYFZSA-N 439.531 5.046 30 20 IKED Cc1csc(Sc2ccc(C(=O)N[C@H](C#N)c3ccccc3Cl)cc2[N+](=O)[O-])n1 499949641 IQYRKOPKJWRDLU-OAHLLOKOSA-N 444.925 5.159 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(F)cc2Br)cc1 500099841 VCIPRVRDCYKKBI-UHFFFAOYSA-N 425.257 5.291 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC[C@@](O)(C(F)(F)F)CC1)c1ccc(C(F)(F)F)cc1 500105208 JVSXRIHFYUZAKL-AEFFLSMTSA-N 438.412 5.202 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)cc1 501013885 HKAVZKGJOHDURO-FQEVSTJZSA-N 428.939 5.239 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Cn4nc(C)cc4C)c3)n2)cc1 501307896 HRIYJNLVDWLFEW-QFIPXVFZSA-N 442.544 5.170 30 20 IKED Cc1oc(-c2ccco2)nc1CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 503090323 BLXDGCNRCXKJFO-UHFFFAOYSA-N 427.460 5.069 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)Cc1ccc(C#N)cc1 504059069 PAJJPWJIWNDWQV-UHFFFAOYSA-N 437.421 5.319 30 20 IKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1c(F)cccc1Oc1ccccc1 504155185 YQSJXMTWJYSRNH-UHFFFAOYSA-N 432.499 5.085 30 20 IKED N#Cc1ccc(Oc2ccc(-c3nc(-c4cc(Br)cs4)no3)cc2)nc1 504879228 NLLNPACNWKSQGZ-UHFFFAOYSA-N 425.267 5.287 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N[C@@H](CC(F)(F)F)c3ccc(F)cc3)s2)cc1 507584635 PIELHBAGFANTIC-SFHVURJKSA-N 448.445 5.560 30 20 IKED C=CCOc1ccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1OC 507878468 PDFJRNVQHXMIHX-UHFFFAOYSA-N 428.941 5.275 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 508275986 RSAOSMNFQBUIKL-UHFFFAOYSA-N 431.467 5.718 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](c2ccccc2)c2nccs2)cc1 509248924 VHDMPQUCADIKKX-QFIPXVFZSA-N 426.501 5.718 30 20 IKED CCc1cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c2c(C(C)C)noc2n1 510495960 IDGSSLICNBBOML-UHFFFAOYSA-N 441.491 5.528 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)o1 512120126 FNABSZXKAJVVOH-UHFFFAOYSA-N 440.484 5.359 30 20 IKED C=C(CNC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1)c1ccccc1 512672664 LQDZISYCCJNUKF-UHFFFAOYSA-N 425.454 5.526 30 20 IKED CC(C)c1c(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1cccc(Cl)c1 513172278 UIZWBNKDKQGINU-MRXNPFEDSA-N 432.833 5.553 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc(Cl)c1OCC(C)C 513192101 ZLEGWGMUZXRRAE-AWEZNQCLSA-N 426.822 5.287 30 20 IKED CN(C(=O)CSc1ccc(C#N)cc1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 513382847 GUJPHCAGRYJTBV-UHFFFAOYSA-N 443.450 5.519 30 20 IKED CCN(Cc1cnc2ccc(C#N)cn12)[C@H]1CCSc2ccc(Br)cc21 513716636 FRLCWELTZWCFLL-SFHVURJKSA-N 427.371 5.027 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)c1C 515573803 XRUGPERGHFTBFB-UHFFFAOYSA-N 442.544 5.546 30 20 IKED C[C@H](NC(=O)N[C@H]1c2cc(Br)ccc2SC[C@H]1C)c1ccc(C#N)cc1 517079937 JCRWGKFNQLUFSL-QHRIQVFBSA-N 430.371 5.164 30 20 IKED CCOc1ccc(S(=O)(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccccc12 517433867 GZPOCTXGTVHFRP-INIZCTEOSA-N 426.563 5.291 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 518140535 XICVXMNTCQKQDT-MRXNPFEDSA-N 445.573 5.500 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1Cl 519107096 RCNNJKSVDCBGCI-SFHVURJKSA-N 431.839 5.032 30 20 IKED C[C@H]1CN(c2ccccc2NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@H](C)O1 521089275 HEEWKSLRSSPYPF-PMACEKPBSA-N 441.531 5.411 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](CC1CCCCC1)C(C)(C)C 522439537 XLOYDMYVDVCVIG-LAUBAEHRSA-N 429.630 5.521 30 20 IKED COc1cc(CSCc2cc3ccccc3nc2O)ccc1OCc1cccc(C#N)c1 522629638 YSNQJMXLYKAEIZ-UHFFFAOYSA-N 442.540 5.833 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)c(C)c2c1 523527953 AIAHQQGRYUFGFO-UHFFFAOYSA-N 440.503 5.189 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCc2nc(-c3cccs3)no2)c1 523945072 URLMWGXKIQNMCC-UHFFFAOYSA-N 436.880 5.045 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1 524436750 IRSHCQGZYQBTLJ-UHFFFAOYSA-N 446.841 5.366 30 20 IKED Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)COc1ccccc1C#N 525106412 NIXJSATWBJYIGM-UHFFFAOYSA-N 442.494 5.621 30 20 IKED C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 525385401 UUXASVDMSAEQDC-OAQYLSRUSA-N 425.532 5.087 30 20 IKED C=CCC[C@H](NC(=O)C1CCN(c2ccncc2C)CC1)c1ccc(C(F)(F)F)cc1 533534884 FZMXDGZRGRSKBZ-NRFANRHFSA-N 431.502 5.449 30 20 IKED CC[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1c(C)noc1C 533855812 ZNVXTEKMKCJHCR-HXUWFJFHSA-N 438.915 5.668 30 20 IKED CN1CCC([C@H]2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2)CC1 535217180 UAYJUOUZHFNXSY-NZQKXSOJSA-N 436.987 5.191 30 20 IKED Cc1cc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)ccc1NC(=O)c1cccs1 535500567 GFBDDFQZNHVYDS-UHFFFAOYSA-N 429.423 5.452 30 20 IKED N#C[C@H](NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1ccc(OC(F)(F)F)cc1 536632948 GMINHQPDSUXUGG-INIZCTEOSA-N 428.332 5.017 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(Cc3cccnc3)CC2)cc1Cl 536735252 RMMJSQRBPFCPND-XMMPIXPASA-N 444.966 5.877 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)c3cnn(C(C)C)c3n2)cc1 537447511 XMOBEACICSXVHW-FQEVSTJZSA-N 448.530 5.364 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C 537912254 GWLVVAIUMOAWGA-UHFFFAOYSA-N 447.848 5.295 30 20 IKED CN(CCc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1)C1CC1 538231982 KTHWIHUZUYRQTD-UHFFFAOYSA-N 441.600 5.740 30 20 IKED CN(C(=O)c1ccccc1Oc1ccccc1C#N)C1CCN(Cc2ccccc2)CC1 538668439 WGJVYGSVYIBTCS-UHFFFAOYSA-N 425.532 5.087 30 20 IKED N#CC1(CCCSc2nc3ccccc3c(=O)n2CCCc2ccccc2)CCOCC1 539669062 FQOPZBBAXFNHMQ-UHFFFAOYSA-N 447.604 5.222 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C(=O)OC(C)(C)C)cc3)n2)cc1 540021987 MBBUDDVHXUYEJX-IBGZPJMESA-N 434.517 5.264 30 20 IKED Cc1cc(NC(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)nn1CCC#N 540817259 BGMVNUCXEIVFSD-IBGZPJMESA-N 446.942 5.194 30 20 IKED Cn1cc(CN2CCC[C@H]2c2ccc(Br)s2)c(-c2ccc(C#N)cc2)n1 542483552 DBKFKONJBJHVBX-KRWDZBQOSA-N 427.371 5.120 30 20 IKED CC(C)Cn1ncc(NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1C(C)C 542958217 CRBQZHNSNQGDLM-UHFFFAOYSA-N 425.924 5.017 30 20 IKED CO[C@H](C)C(=O)Nc1cccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 543849115 LJPPCUVHINXTFR-ZWKOTPCHSA-N 442.519 5.081 30 20 IKED Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 558110587 QJTJOCFUSYGKNA-UHFFFAOYSA-N 447.514 5.034 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1scc(C)c1C#N 558244951 YOKKQDWTSWDARA-UHFFFAOYSA-N 433.917 5.595 30 20 IKED COc1ccc(-c2ccc(C)c(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c2)cn1 558846752 LMQPTZMPCIPWRL-LADGPHEKSA-N 426.520 5.369 30 20 IKED CCc1nnc(-c2cccc(NC(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)c2)o1 561180233 NCBGSBOCXMHGIO-UHFFFAOYSA-N 449.942 5.069 30 20 IKED CSCC[C@](C)(C#N)NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 569047534 CAGAVFBYVMJYSJ-LJQANCHMSA-N 435.958 5.165 30 20 IKED CN(CCC(=O)Nc1ccccc1C#N)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 576377071 UXROWHUUSRQHEP-UHFFFAOYSA-N 429.364 5.056 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1 582086418 VSNZNJWPQXHHFR-MAEOIBBWSA-N 447.457 5.944 30 20 IKED O=C(C[C@@H](c1ccccc1)C(F)(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590663569 UFCJCMFVKPOGSZ-DGAVXFQQSA-N 435.330 5.748 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 592974360 RBJTUWQKJFPDPO-SNVBAGLBSA-N 433.942 6.072 30 20 IKED C[C@H](SCC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1nc2ccccc2[nH]1 603622718 XDXNPEZYBGTKNW-HNNXBMFYSA-N 429.505 5.055 30 20 IKED C[C@H](NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1cccc2ccccc12 603701066 SNGDYGQJXTWGSZ-IBGZPJMESA-N 449.510 5.106 30 20 IKED CCc1c(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cnn1-c1ccc(Br)cc1 603737929 UZEXLTFRGHSMRE-UHFFFAOYSA-N 437.341 5.251 30 20 IKED CCCOc1ccc([C@@H](C)NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1OC 603906917 BGMAQAITVLOEEH-QGZVFWFLSA-N 434.492 5.019 30 20 IKED COc1ccc(CCC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1Cl 603996004 ZFNFDPSFRDAMQW-UHFFFAOYSA-N 433.895 5.044 30 20 IKED Cc1cc(O[C@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1Cl 604003139 FTAXWEATVJVBHR-GOSISDBHSA-N 434.923 5.700 30 20 IKED COc1ccc2[nH]cc(CC(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)c2c1 604027168 LCRPGCZQBLNWNU-UHFFFAOYSA-N 431.879 5.675 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)cc2)cc1 604457116 VNJGIIULZZVYPT-UHFFFAOYSA-N 431.879 5.383 30 20 IKED CCOC(=O)c1sc(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)c(C#N)c1C 609052497 NPDVLCAALABUNM-UHFFFAOYSA-N 445.953 5.443 30 20 IKED N#CCN1CCC(NC(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)CC1 609330449 RCDALSUPELPCRX-UHFFFAOYSA-N 434.392 5.003 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnc(Sc2nccn2C)c(Cl)c1 609376916 LKFDCZJMPZIWBB-ZDUSSCGKSA-N 443.985 5.124 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccc(Oc2ccccc2)cc1 609406500 TZEFRVGGEYLBKS-SFHVURJKSA-N 445.544 5.301 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)c1 609433649 AIBLMGUGNZWGFV-HSZRJFAPSA-N 441.487 5.491 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2)c1 609433702 DCMOJSSUZATDRN-UHFFFAOYSA-N 438.487 5.298 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NCc3ccc(Oc4cccc(F)c4)nc3)cc2)nc1 609503040 WZFGZNITVGKINQ-UHFFFAOYSA-N 440.434 5.002 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccccc2COc2ccccc2)CC1 609553787 GZDBBUJTWZQTMZ-UHFFFAOYSA-N 441.531 5.649 30 20 IKED N#C[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc(F)cc1 609602409 PVDSLFXBOHRNRT-GOSISDBHSA-N 425.803 5.174 30 20 IKED CN(Cc1ccc(Br)s1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 609641133 WPFVANTZWIKDDG-UHFFFAOYSA-N 441.350 5.233 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc4occc4s3)s2)c(C(F)(F)F)c1 609856806 PBWRXVWEUFFTIY-UHFFFAOYSA-N 433.436 5.684 30 20 IKED CC[C@H](c1ccncc1)N(CC)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 610093247 DFRFHADOHBUUKM-GOSISDBHSA-N 438.582 5.102 30 20 IKED CN(Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 610323987 LELFEEQLSWQBKL-HSZRJFAPSA-N 426.520 5.089 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1)c1cccc(C#N)c1 611051308 TYDDGONSNNIHER-HNNXBMFYSA-N 443.894 5.830 30 20 IKED CC[C@H](NCc1ccnc(C#N)c1)c1ccccc1OCc1ccccc1Br 611394824 HPQYCCJSUBDUND-QFIPXVFZSA-N 436.353 5.536 30 20 IKED N#C[C@@H](C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1ccc2ccccc2n1 613290603 IWVOHQHVHSDRCC-HXUWFJFHSA-N 425.875 5.631 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3nn(-c4ccccc4F)c4c3CCC4)n2)cc1 613317999 CZQJQULJTAJOKF-GOSISDBHSA-N 442.519 5.422 30 20 IKED N#C[C@H](C(=O)c1cnn2c(-c3ccccc3)ccnc12)c1nc2cc(Cl)ccc2s1 613407090 IIIFEICYLLRBEM-OAHLLOKOSA-N 429.892 5.149 30 20 IKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1nc2ccccc2n1C(F)F 642282401 OPYAFWCUQBFMSO-SFHVURJKSA-N 448.404 5.313 30 20 IKED C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 670206700 CZIGQZXKXFRHBB-ZIAGYGMSSA-N 438.803 5.352 30 20 IKED N#C[C@H](C(=O)c1ccc(C(F)(F)F)cc1N1CCCC1)c1nc2cc(F)ccc2s1 671764237 WEUNWSBEEXEKHZ-OAHLLOKOSA-N 433.430 5.544 30 20 IKED CC(C)Oc1cc(F)ccc1NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 679353585 FZYZFATVDPQQOI-GHMZBOCLSA-N 430.364 5.644 30 20 IKED O=C(NCc1ccc(-c2ccco2)cc1F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 684121269 JCGCBXCIFNBIGF-ZIAGYGMSSA-N 438.343 5.358 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCCC[C@H]1c1nnc(C2CCC2)o1 685066137 AMZOXRZHHFDVQU-NRFANRHFSA-N 432.549 5.558 30 20 IKED N#Cc1ccccc1N1CCCN(C(=O)Nc2cccc(Cl)c2SC(F)F)CC1 726079154 PVLXYURTOCWDIQ-UHFFFAOYSA-N 436.915 5.271 30 20 IKED C[C@H](C#N)Oc1ccc(/C=C2/CCn3c2nc2scc(-c4ccccc4)c2c3=O)cc1 728700944 YLJGBGLIOPCQFF-YZYPPFLQSA-N 425.513 5.360 30 20 IKED O=C(c1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCCSC1=Nc1ccccc1 730468630 CRTNFTMSAXEWLY-UHFFFAOYSA-N 432.427 5.022 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cccc(Oc2ccccc2)c1 731059610 GQADFNWIONKDMO-GOSISDBHSA-N 446.528 5.526 30 20 IKED C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)/C=C/c1ccccc1Br 731341007 XYXPZALUKAIYRI-YPDDLIOESA-N 437.384 5.256 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCc1ccc(Br)cc1F 731400264 MPQHTDXUYUZPNZ-ZDUSSCGKSA-N 436.350 5.347 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Cc2coc3ccc4ccccc4c23)ccc1OC 733231614 DJYVXUKHXDKFKV-FQEVSTJZSA-N 428.488 5.134 30 20 IKED Cc1noc2nc(-c3ccccc3)cc(C(=O)OCc3cc(Cl)ccc3OCC#N)c12 735341852 RBKZXCARQWGIEI-UHFFFAOYSA-N 433.851 5.111 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F 735574827 HSXQJOFUYTYANA-UHFFFAOYSA-N 426.492 5.487 30 20 IKED C[C@@H](OC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C(=O)N1CCC[C@H]1c1cccs1 738752264 DMANSNNQSPTNLD-VGSWGCGISA-N 445.544 5.272 30 20 IKED COc1ccccc1-c1ccc(C(C)=NNc2ncnc3c2cnn3-c2ccccc2)cc1 741461065 WBCWAPVVEBKCSB-UHFFFAOYSA-N 434.503 5.327 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)cc1 743449816 VNRJVOBZMDVXDI-MRXNPFEDSA-N 444.343 5.640 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1C(F)(F)F 744034023 YEWAQLYAMGSKLT-MEBBXXQBSA-N 429.225 5.463 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)/C=C\c3ccc(-c4ccc(F)cc4)s3)o2)cc1 744546251 QFMRQWAQZOTUKW-BENRWUELSA-N 431.448 5.232 30 20 IKED CC1(C)CC[C@@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2ccccc21 747007644 YEBSWDSRBFEASU-ILBGXUMGSA-N 437.543 5.209 30 20 IKED Cc1c(C(=O)/C=C\c2ccc(OCc3ccncc3)cc2)nnn1-c1ccc(Cl)cc1 747614616 KCFOXZKCQPKZHJ-WCIBSUBMSA-N 430.895 5.099 30 20 IKED COc1cc(NC(C)=O)ccc1C(=O)/C=C\c1c(C)nn(Cc2ccccc2Cl)c1C 747705630 PFWVNNZEUPFRGA-QXMHVHEDSA-N 437.927 5.065 30 20 IKED CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C#N)s2)NC(=S)N1c1cccc(C)c1 749014872 PMBCXUSXMNUHJI-QFIPXVFZSA-N 444.585 5.277 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2cccc(-c3noc(CC(C)(C)C)n3)c2)cc1C#N 752195130 ASFYTEMMANNEEK-UHFFFAOYSA-N 447.495 5.018 30 20 IKED C#CC[C@H](NCc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1)c1ccccc1 756994989 AXNSXBMROGXPJS-NRFANRHFSA-N 443.494 5.701 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(Br)c(Cl)c1Cl 758290943 RQVQIIMGISFEON-VIFPVBQESA-N 429.101 5.691 30 20 IKED COc1cc(C(=O)/C=C/c2ccc(F)c(Cl)c2Cl)ccc1S(=O)(=O)C(F)F 761475958 HALZXPXVOZSJTN-ZZXKWVIFSA-N 439.238 5.034 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CCS[C@H](C)[C@@H]2c2ccccc2)c1=S 765011762 KHHPPBXWROZTFH-WIYYLYMNSA-N 437.638 5.188 30 20 IKED C=CCn1c(-c2ccco2)nn(CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1=S 768490963 VANQZFNZZCWEJD-INIZCTEOSA-N 441.626 5.032 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)ccc1OC 772978114 DKURXVKTAXNZJH-UWJYYQICSA-N 435.593 5.967 30 20 IKED C=CCOc1cccnc1C(=O)O[C@H](C)c1cccc(NC(=O)Cc2ccc(C)cc2)c1 775239901 HFALCDVTCKPGOG-LJQANCHMSA-N 430.504 5.054 30 20 IKED Cc1cc(NC(=O)Nc2ccc3c(c2)CN(c2ccc(C(C)C)cc2)C3)nn1CCC#N 777613805 VXCCWHYGABGVCH-UHFFFAOYSA-N 428.540 5.393 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)Nc2ccc3ccccc3c2)cc1F 782804624 WBFPQYUZTHXSKY-UHFFFAOYSA-N 425.419 5.220 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)N(Cc2ccccc2)c2ccc(N)cc2Cl)c1 783484277 NBMYXAJAOSMPLW-UHFFFAOYSA-N 449.938 5.049 30 20 IKED Cc1cc(-c2nnc(COC(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)o2)c(C)o1 784430617 ZSDPUJMYNHBJEA-UHFFFAOYSA-N 449.850 5.621 30 20 IKED CC[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(C)(C)c1ccccc1 784980180 GFKSOAJDTCPJNV-RPBOFIJWSA-N 439.559 5.153 30 20 IKED CCCCOc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2cccc(C)c2)cc1 789400400 BRDUQWGIMMJLBA-UHFFFAOYSA-O 444.580 5.656 30 20 IKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccsc3)N([C@@H]3CCC(F)(F)C3)C2=O)cc1 790741235 HKRROKOLROOZHB-IAGOWNOFSA-N 449.548 5.205 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1cnc2ccccc2n1 792111058 PGGWXLSLCNTBOY-MRXNPFEDSA-N 438.434 5.191 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\COc3cc(F)ccc3C2=O)cs1 794727262 GUPCDHNBLYUWDD-MDWZMJQESA-N 428.872 5.279 30 20 IKED CSc1ccccc1[C@@H](C)OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 800024065 IZVJQADCBFCNSP-OAHLLOKOSA-N 437.521 5.049 30 20 IKED C[C@@H]1C(=O)N(c2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C(=O)N1Cc1ccccc1 804200878 UFJMBEQFHGLCBH-VGSWGCGISA-N 429.907 5.353 30 20 IKED C#CCOc1ccccc1-c1noc([C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)n1 809396001 XMBMOJRJLBNNJQ-GOSISDBHSA-N 442.302 5.033 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2csc(-c3ccccc3F)n2)ccc1OC 812723645 KGDSKZFHSGGWFI-RDJZCZTQSA-N 425.529 5.490 30 20 IKED Cc1c(C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)sc2ccc(C#N)cc12 815303846 ZCSSUUPBXKGJAZ-UHFFFAOYSA-N 425.485 5.820 30 20 IKED C[C@H](Cc1cnc2ccccc2n1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 815912849 AYPRWDHEFYGJHC-DOMZBBRYSA-N 440.450 5.313 30 20 IKED C=C1c2ccccc2C(=O)N1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 822081216 YIAWAUHLKVDCKQ-MRXNPFEDSA-N 433.577 5.226 30 20 IKED COc1ccc(CNc2cc(C(=O)N3CCCCC3)ccc2Cl)cc1OCCCC#N 864003168 HGDDFMBAUSWOTK-UHFFFAOYSA-N 441.959 5.269 30 20 IKED C[C@@H]1CCCCN1C(=O)c1ccc(NCc2cc(C#N)ccc2Br)cc1Cl 864006793 ZAUKBCRXSHRWIS-CQSZACIVSA-N 446.776 5.601 30 20 IKED N#C[C@H](C(=O)CCc1nnc(-c2ccsc2)o1)c1nc(-c2ccc(Cl)cc2)cs1 915101842 MZBRGNIQUXFABG-OAHLLOKOSA-N 440.937 5.384 30 20 IKED COc1cc(OC)c2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)[nH]c2c1OC 915199554 FDGMBPKGXHULPB-FQEVSTJZSA-N 441.487 5.101 30 20 IKED Clc1ccc(CSc2nncn2N=Cc2ccc(OCc3ccncc3)cc2)cc1 915956652 YENVMACBWHJZQS-UHFFFAOYSA-N 435.940 5.080 30 20 IKED N#Cc1ccccc1NC(=S)Nc1ccc(COc2ccc(Br)cc2)cc1 915996791 BWSBDRDUDWTVBD-UHFFFAOYSA-N 438.350 5.709 30 20 IKED Cc1sc2ncn(N=Cc3ccc(C(C)C)c([N+](=O)[O-])c3)c(=O)c2c1-c1ccccc1 916283968 DRMCSFGSPBBHPH-UHFFFAOYSA-N 432.505 5.347 30 20 IKED CC(C)c1ccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1 916846368 RBOWOUHNGAOLMR-GOSISDBHSA-N 432.574 5.574 30 20 IKED CCCOc1ccc(C(=O)CCC(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 916944557 HUQOUIBHZQXFMW-LJQANCHMSA-N 447.318 5.093 30 20 IKED COc1ccc2nc(C)c(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)cc2c1 917773710 BJGBWSIYMUSJGM-UHFFFAOYSA-N 425.513 5.503 30 20 IKED N#C[C@@H](Cc1ccccc1)SC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1 917906438 XMCLVPBZRVRXON-PXJFTPKESA-N 427.504 5.437 30 20 IKED CC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc2c(c1)OCCO2 918034285 MOTALSHELWGSLP-XZOQPEGZSA-N 427.504 5.386 30 20 IKED COc1cc(C(=O)/C=C/c2c(Cl)nc(Cl)n2-c2ccccc2)cc(OC)c1OC 920065137 KOUATBMVLXCQPJ-MDZDMXLPSA-N 433.291 5.101 30 20 IKED N#C[C@@H](C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1nc2ccccc2o1 920115581 ISPOZRNBZFJWPK-IBGZPJMESA-N 435.439 5.245 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCCC(=O)c3c(C)cc(C)cc3C)n2)cc1 920139816 YXPOCXYVPSDNMZ-OAQYLSRUSA-N 446.572 5.973 30 20 IKED COc1ccc2cc(/C=C/C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)ccc2c1 920143478 WSLVBWHPSVGFCS-ZNGDTJSRSA-N 435.508 5.733 30 20 IKED COc1cccc(NN=Cc2csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n2)c1 920373213 VLMVINFVIIXJFZ-UHFFFAOYSA-N 434.443 5.301 30 20 IKED C[C@@H](CC#N)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCOC1CCCCCC1 1706746569 BZBZUGNEPRRXRI-SFHVURJKSA-N 429.996 5.000 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCc3ncccc3C)cc2)CCC1 1786798224 GMWVPASNQWEYRX-QHCPKHFHSA-N 431.580 5.225 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3csc(-c4cccnc4)n3)cc2)CCC1 1788675877 AAYADCVLOSFIIQ-QGZVFWFLSA-N 446.576 5.165 30 20 IKED Cc1cccc(-c2ncccc2C(=O)NC2(c3ccc(NC(=O)[C@@H](C)S)cc3)CCC2)c1 1791574952 TZCLLYHPHNIMLT-GOSISDBHSA-N 445.588 5.123 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccnc4ccccc34)CC2)C1 1804858595 JPYSDYOHIULQCD-UHFFFAOYSA-N 433.596 5.072 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2Cl)[C@@H]1c1cccnc1 1811703589 IABCCBDQAXGZIB-KNQAVFIVSA-N 439.987 5.047 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(Cl)c2)[C@@H]1c1cccnc1 1811815060 JITVPLBMOZCRJT-UNMCSNQZSA-N 439.987 5.047 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCCn2cccc2)n[nH]1 1819524364 KZKGWVOXCOVDND-NRFANRHFSA-N 439.604 5.066 30 20 IKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821612403 WJRQJFDMRVHHLK-NRFANRHFSA-N 440.503 5.028 30 20 IKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3cccc(Cl)c3)CCCC2)[nH]n1 1822402438 RASUIYLNWZBXKT-FQEVSTJZSA-N 440.975 5.143 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3cnccc23)CC1 1828652672 MSVWHUIDOWALMJ-SANMLTNESA-N 445.607 5.237 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)s2)CC1 1828823892 YGFAVRLAXGPHTG-RTBURBONSA-N 435.033 5.403 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCn2cccc2)CC1 1829068952 ANOVNRINTJBGGZ-XMMPIXPASA-N 441.660 5.271 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc2c(c1)CCC2)[n+]1ccccc1CC 10174378 BUOHPZCUUMJFBV-UHFFFAOYSA-O 429.609 5.639 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](CCC)c2ccccc2)nnc1-c1ccc(F)cc1 21338219 XMIPGLQRMMOBDJ-DYESRHJHSA-N 438.572 5.408 30 20 IKED C=CCN(C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nc(-c2ccccc2)cs1 21896780 NLBBQJMDBMLULE-UHFFFAOYSA-N 445.569 5.957 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccccc2)cc1 22728243 QIRAJOLLWGVXII-UHFFFAOYSA-O 425.961 5.386 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2ccc(OC)cc2)cc1 22731175 BTGOHKVTTXERSD-UHFFFAOYSA-O 447.624 5.894 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1ccco1 29547398 KZTCFEXWPKSQLS-UHFFFAOYSA-N 432.505 5.247 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(C[C@@H](C)c3ccccc3)o2)cc1 105610711 WYIZBBZUWMAGLD-MOPGFXCFSA-N 434.565 5.152 30 20 IKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2Br)o1)c1nc2ccccc2o1 195652884 GSSYUZKNZDTLTF-CQSZACIVSA-N 436.265 5.054 30 20 IKED C=CCOc1c(Br)cc(CNC(C)(C)c2nc(C)c(C)s2)cc1OC 237101009 ZFCXNYIQXVWYDW-UHFFFAOYSA-N 425.392 5.121 30 20 IKED N#Cc1cccc(COc2cccc(CN[C@@H](c3ccc4c(c3)OCCO4)C3CC3)c2)c1 237857311 FDYKWNKOQHAUMI-HHHXNRCGSA-N 426.516 5.149 30 20 IKED CC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1nc(C)cs1 303253746 NVDMWOJYRLFHON-IBGZPJMESA-N 440.956 5.828 30 20 IKED C=CCc1ccc(OCC(=O)Nc2ccc(C)cc2-c2nc3ccccc3[nH]2)c(OC)c1 409611828 KCBINEHBVGCCTD-UHFFFAOYSA-N 427.504 5.293 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)s1 430621476 JYLNYQFNHNGLGC-GOSISDBHSA-N 446.507 5.787 30 20 IKED CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(SCC#N)c1 431159321 OHRUIANLMYKEQG-UHFFFAOYSA-N 436.364 5.100 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3c(Cl)cc(F)cc3Cl)c2)cc1 431496410 SBECBSIIDZJIGH-UHFFFAOYSA-N 429.278 6.030 30 20 IKED N#CCCn1cc(CNc2cccc(CSc3ccccn3)c2)c(-c2ccncc2)n1 433313118 UEZIXZMMAYLBBI-UHFFFAOYSA-N 426.549 5.158 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 436340183 RICRMWVGLVVKBD-ISKFKSNPSA-N 440.503 5.119 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)cc2)c1 436418922 YOVBLKFLLMJOGB-UHFFFAOYSA-N 445.478 5.384 30 20 IKED C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1nc(-c2cccc(F)c2)no1 438051274 GHLSFWRHUIKAPP-KGLIPLIRSA-N 425.489 5.153 30 20 IKED CCOC(=O)Cc1cccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 438660653 KHYVTQQEHXVPFK-UHFFFAOYSA-N 433.439 5.239 30 20 IKED Cc1sc([C@@H](C)NC(=O)N[C@@H](CCC#N)c2ccccc2)nc1-c1ccc(Cl)cc1 438842018 NRJNOAFANDJIDT-QRWLVFNGSA-N 438.984 6.177 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] 439105057 BSNRVDXKUQPBCQ-UHFFFAOYSA-N 435.867 5.568 30 20 IKED CCCOc1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 439153757 QHESRZIAQCFVLR-QFIPXVFZSA-N 447.922 5.361 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1cccc([C@@H](C)OC)c1)c1ccc(C(F)(F)F)cc1 442058171 NSTFJEYMPDBQPE-FOIQADDNSA-N 434.458 5.175 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3occc3-c3ccc(F)cc3)c2)c1 442770407 OISXECKRKPWIMQ-UHFFFAOYSA-N 425.419 5.462 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3coc(-c4c(F)cccc4F)n3)o2)cc1 443517354 DRWUBJHUOFDLHH-UHFFFAOYSA-N 427.432 5.527 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)COc2ccccc2-c2ccccc2)c1C#N 445570122 DIKVQDCPAXMENU-UHFFFAOYSA-N 440.528 5.150 30 20 IKED CC(=O)CCc1ccc(OCC(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)cc1 460157794 WXNCGIHYHYFLMQ-UHFFFAOYSA-N 446.934 5.345 30 20 IKED C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@](C)(OC)CC1 460961592 TUMUGBNDUZLLIC-NRFANRHFSA-N 439.387 5.135 30 20 IKED Cc1cccc(O[C@@H](C)CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 466244120 RTWYDZREOXVYCG-FQEVSTJZSA-N 429.520 5.229 30 20 IKED Cc1cn(-c2c(F)cccc2F)nc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 468782218 BXPPATXMIFXSML-GFCCVEGCSA-N 428.851 5.212 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(-c4ccccn4)no3)cc2Cl)c1 468787565 CAMMIXCKGZDUPL-UHFFFAOYSA-N 430.851 5.093 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CC[C@H](c4c(F)cccc4F)C3)c2)c1 469460348 GBJVLAYVYCHZMG-SFHVURJKSA-N 446.457 5.110 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 471289687 XJRNAWCSLIFESX-UHFFFAOYSA-N 434.561 5.271 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 473584437 YLPUEVZXXKWPSZ-AWEZNQCLSA-N 446.450 6.349 30 20 IKED Cc1nc(CNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)oc1-c1ccc(Cl)cc1 473675489 LKDXANNKKSLQQW-RTWAWAEBSA-N 434.927 5.285 30 20 IKED CCc1ccc(-c2noc([C@H](C)NC(=O)Nc3ccccc3SC[C@@H](C)C#N)n2)cc1 473818177 MXARROCMBBLTKF-HOTGVXAUSA-N 435.553 5.433 30 20 IKED CC(C)Sc1cccc(Cl)c1CNc1ccc2c(c1)CCC(=O)N2CCCC#N 475200737 BHADLMNZRVTQDA-UHFFFAOYSA-N 428.001 6.036 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 475597680 ARBROFUTHTUYAW-HNAYVOBHSA-N 449.498 5.563 30 20 IKED Cc1ccc(Br)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 477018971 KPYZVMPOANQOTA-UHFFFAOYSA-N 435.321 5.769 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)cc1 477877794 LEIMVWMXODLNIF-HXUWFJFHSA-N 443.915 6.298 30 20 IKED C=CCn1c(SC[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)nnc1-c1cccs1 480385405 HPLOWNZUYKRUCM-YOEHRIQHSA-N 436.002 5.077 30 20 IKED CO[C@H](c1ccccc1Cl)[C@@H](C)NCC(=O)Nc1ccccc1S[C@H](C)CC#N 481394875 XROCNUPOTOCQBJ-MCFFVMPBSA-N 431.989 5.039 30 20 IKED CC(C)C[C@@](C)(NCc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(Br)c1 483049754 JZAJYGCHLLMKNE-JOCHJYFZSA-N 439.357 5.422 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@H](C#N)c1nccc2ccccc12 483214494 OBCYJGGJDTVTPW-GOSISDBHSA-N 445.931 6.001 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1cnc2ccccc2n1 483232973 PFNHVRFTIFIKGE-SFHVURJKSA-N 449.445 5.340 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3c(-c4ccccc4C)noc3C)n2)cc1 483515883 WTJXCUSTCWTEIB-LJQANCHMSA-N 429.501 5.581 30 20 IKED Cc1ccc(-n2ncc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c2C(C)C)cc1 484805528 HIXLAUFOBYRVLR-VWNXMTODSA-N 427.552 5.608 30 20 IKED CC(=O)c1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)nc1C 486963656 GRCRRSQEYJZZFL-KRWDZBQOSA-N 444.343 5.821 30 20 IKED N#Cc1ccc(NC(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)cc1Br 487981717 BZKUTRWHUJVTEV-CYBMUJFWSA-N 443.276 5.013 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1SCc1nnc(-c2ccccc2Br)o1 488813834 ILWQURHYHJEXOH-UHFFFAOYSA-N 441.232 5.077 30 20 IKED C=CCn1c(SCC(=O)c2cc(C)n(Cc3ccco3)c2C)nnc1-c1cccs1 489391451 AJUXJLZJNDCIOD-UHFFFAOYSA-N 438.578 5.227 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1nc2cc(F)ccc2n1CC 489641206 MOEDODZPFYUWKT-UHFFFAOYSA-N 437.544 5.153 30 20 IKED CC(C)(C)n1ncc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C(F)(F)F 493911682 RXAZMOUTHGHEBP-UHFFFAOYSA-N 447.301 5.947 30 20 IKED C=CCN(Cc1nc(O)c2c(-c3ccccc3Cl)csc2n1)Cc1cccs1 499054134 RAXQMYNHXDAGJK-UHFFFAOYSA-N 427.982 5.967 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)c1 502639066 SQCQIFJHJYSCSH-UHFFFAOYSA-N 432.455 5.405 30 20 IKED CN(C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)C1CCC(F)(F)CC1 502681732 UUIRXOOBEGPPRF-CQSZACIVSA-N 432.355 5.918 30 20 IKED N#C[C@H](C(=O)c1cccc(NC(=O)c2cccnc2)c1)c1nc2cc(Cl)ccc2s1 503421063 MHXWZEFOVNBYGN-QGZVFWFLSA-N 432.892 5.087 30 20 IKED COCCn1c(C)c(C)c2cc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)ccc21 503571261 IEKRTSAAVOJTSV-SFHVURJKSA-N 437.952 5.658 30 20 IKED N#Cc1cccc(OCCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c1 503870857 ILOAZWBHSFVYIX-DEOSSOPVSA-N 433.939 5.256 30 20 IKED O=C(NCc1ccc(C(F)(F)F)cc1)Nc1ccc(OC(F)F)cc1OC(F)F 508195971 POXJAVROKLUFCT-UHFFFAOYSA-N 426.288 5.230 30 20 IKED C=CCn1c(-c2cccc(Br)c2)nnc1N1CCC(c2ncc(C)s2)CC1 508481314 PKHDDWXDLIPWJG-UHFFFAOYSA-N 444.402 5.043 30 20 IKED Cc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 509545372 SWNKPKPAWFFSAT-UHFFFAOYSA-N 440.478 5.217 30 20 IKED COCCN(Cc1cccs1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509857421 ZLPUOFFLJYNBRC-UHFFFAOYSA-N 435.549 5.074 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510004499 FOSRFXWJNUDCAB-DEOSSOPVSA-N 442.950 6.311 30 20 IKED C=CCOc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC=C)c1 511335461 UIZFCLPBYSBRPI-UHFFFAOYSA-N 440.956 5.080 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)cc1 511684520 DCTLRVXORCIORT-UHFFFAOYSA-N 445.563 5.544 30 20 IKED N#C[C@@H](C(=O)c1cc(F)cc2nccnc12)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 515431179 QIJXHIPTRPIIJJ-DADZPZSKSA-N 432.524 5.183 30 20 IKED N#CCCSc1ccccc1NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 517441473 YVMULWKADIDFSY-UHFFFAOYSA-N 446.557 5.626 30 20 IKED CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 520005553 HNZLQULLMAAKGM-UHFFFAOYSA-N 439.924 5.053 30 20 IKED COc1ccc([C@@H](Cc2ccccc2C)NC(=O)N(C)Cc2cccc(C#N)c2)cc1OC 520067856 LBEPCOXTYXKKNN-XMMPIXPASA-N 443.547 5.009 30 20 IKED C[C@H](Oc1ccc2ccccc2c1)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccccc1 521948205 BSCKUZRATOTOSZ-PMACEKPBSA-N 425.536 5.358 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCO4)cc2)cc1 521962165 QWLSRUULTISDNX-QHCPKHFHSA-N 426.472 5.251 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1 522294827 SDQPUMOESIDUIT-IBGZPJMESA-N 443.915 5.890 30 20 IKED Cc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)Nc2ccn(CCC#N)n2)cc1 522735967 KTFHAIYHSMPSJP-UZYVYHOESA-N 447.542 5.783 30 20 IKED Cc1noc2nc(C(C)C)cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c12 523959947 CYVBPJVADZRFAY-QGZVFWFLSA-N 427.489 5.140 30 20 IKED Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 524412360 AQCDEAVJCVBIEA-UHFFFAOYSA-N 443.890 6.006 30 20 IKED Cc1sc(CNC(=O)Nc2cc(C#N)ccc2OC(F)F)nc1-c1ccc(Cl)cc1 524435702 HKBFKVGINRNERK-UHFFFAOYSA-N 448.882 5.567 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@@H](C)c2cccc(Cl)c2Cl)n(Cc2ccco2)c1C 537112826 NJFIPSVKWGLLRT-AWEZNQCLSA-N 445.350 5.214 30 20 IKED Cc1ncsc1-c1nc2ccccc2n1CC(=O)Nc1cc(C(C)(C)C)sc1C#N 540273796 WFVMXAUIRSWSRG-UHFFFAOYSA-N 435.578 5.338 30 20 IKED COCCCCC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 541228324 ZZNKNQOSSUYSTP-ZDUSSCGKSA-N 425.291 5.261 30 20 IKED Cc1cc(N(CCC#N)C(=O)CN[C@H](C)c2nc(-c3ccccc3)cs2)ccc1Cl 541661169 RDIASKKJGMALDC-QGZVFWFLSA-N 438.984 5.369 30 20 IKED Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542928128 PHJPOMJRSDZTJT-INIZCTEOSA-N 427.529 5.670 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)C(F)(F)F 548183810 OZOVLMRGMBBDHS-SPLOXXLWSA-N 441.457 5.025 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 549653977 GSCCEIUZEQUIJZ-NHTMILBNSA-N 432.543 5.232 30 20 IKED C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCO[C@H](c2ccsc2)C1 555249506 PTMSCSJYWHWGGK-SFHVURJKSA-N 434.487 5.179 30 20 IKED C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 558315041 JNSXZTYRDPVORY-JIPXPUAJSA-N 439.559 6.337 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC(COc4ccccc4)CC3)cc2)ccn1 565980313 BAUBTEXCUUQQPC-UHFFFAOYSA-N 428.492 5.068 30 20 IKED COc1ccccc1NC(=O)c1ccc(NCc2ccc(C#N)cc2C(F)(F)F)cc1 568339777 HHWMBUMCNBPZMK-UHFFFAOYSA-N 425.410 5.450 30 20 IKED C=CCCc1ccccc1NC(=O)NC1(c2cccc(Br)c2)CCOCC1 569626955 PGZFHSFFSBFJCN-UHFFFAOYSA-N 429.358 5.395 30 20 IKED CO[C@H](c1ccccc1F)[C@H](C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 581717607 JRTBEMZOYWPNFQ-BVZFJXPGSA-N 447.510 5.368 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2ccc3ccccc3n2)nnn1-c1ccc(-c2ccccc2)cc1 595869817 XEOSMBLVMHRHDR-HSZRJFAPSA-N 429.483 5.281 30 20 IKED CC(C)(CNC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1Cl 603538329 ZNPBKSSJEQRNMK-GHMZBOCLSA-N 448.810 5.529 30 20 IKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603693471 WFVWUNIRUCYLDB-HNNXBMFYSA-N 429.505 5.580 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2nc3cc(F)c(F)cc3s2)cc1 609112350 VCRRCSTXQINSPK-UHFFFAOYSA-N 437.496 5.991 30 20 IKED CCCN(C(=O)[C@H](C)SCC(=O)Nc1ccc(C)cc1)c1cc(Cl)ccc1C#N 609285963 HWONUNBHYTXUNQ-INIZCTEOSA-N 429.973 5.024 30 20 IKED COc1ccc(OC)c([C@@H]2CCCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)c1 609435538 WBMFKFZDZJHHKH-UZLBHIALSA-N 425.554 5.467 30 20 IKED C[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ncc(-c2ccccc2)o1 610094057 FKMZBULQDRTGHG-CYBMUJFWSA-N 430.386 5.037 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCC1(c2ccccc2Br)CC1 610167242 VPBLMGCHEADFRM-OAHLLOKOSA-N 444.398 5.697 30 20 IKED O=C(CCOc1ccc(F)cc1Cl)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 611829197 MIDPTHHHJUPMPD-UWVGGRQHSA-N 435.767 5.274 30 20 IKED C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 618547205 NZADYQFUHUQMCX-XDTLVQLUSA-N 436.318 5.539 30 20 IKED N#Cc1ccc(CNC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1Cl 619820085 BAOBEYAWTJDYQW-UHFFFAOYSA-N 431.348 5.030 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(C)n1Cc1ccccn1 620304129 DEEUVFGVHXALHX-GOSISDBHSA-N 448.498 5.440 30 20 IKED N#C[C@H](C(=O)c1ccccc1Oc1cccnc1)c1nc2cc(C(F)(F)F)ccc2s1 623036521 VOTJMXCEXCRRFC-MRXNPFEDSA-N 439.418 5.992 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)cc1 629171489 AIWZAQXNNBMANU-UHFFFAOYSA-N 427.504 5.094 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1cc(F)c(C(F)(F)F)c(F)c1 683193612 KCLLZDLSLMMGLW-UHFFFAOYSA-N 433.226 5.439 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3cccc(OC4CCCC4)c3)n2)cc1 727955910 XRZCDXVKWWXPBK-UQNNOOFXSA-N 439.540 5.893 30 20 IKED N#Cc1cccc(COc2ccc(NC(=S)NCc3cccc(C(F)(F)F)c3)cc2)c1 727980627 PAJKBDKYTNWNBZ-UHFFFAOYSA-N 441.478 5.643 30 20 IKED CN(C(=O)c1cccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)c1)c1ccccc1 729888364 DTMKSGQWRMGUQK-DEOSSOPVSA-N 447.494 5.078 30 20 IKED CC(C)COc1ccc(CC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 730395851 JIHKKAUVKLTQRR-HSZRJFAPSA-N 442.515 5.404 30 20 IKED Cc1nc(SCC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c2c(C)c(C)sc2n1 730417849 UQZFNGUFEKGTRJ-ZDUSSCGKSA-N 442.566 5.334 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3Cl)n2)cc1 730692149 URCKLAXECAQWNS-FGTMMUONSA-N 438.339 5.969 30 20 IKED CC(C)Oc1ccc(NC(=S)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 730955251 WGAWJCHMHXRPPZ-UHFFFAOYSA-N 439.528 6.307 30 20 IKED Cc1ncc(/C=C\C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)s1 732732289 NKHFHUYHBJOLPC-PLNGDYQASA-N 434.468 5.041 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3cccc(Br)c3)cc2)c1 732900311 LDJALQWYRMHRHY-NRFANRHFSA-N 449.304 5.511 30 20 IKED CCOc1cccc2cc(C(C)=NNc3cc(C(F)(F)F)nc(-c4cccnc4)n3)oc12 733079743 JTTLJECHOUAXKT-UHFFFAOYSA-N 441.413 5.538 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(Cc2cccc(Cl)c2)C(C)C)ccc1OC 733656931 QRNNVKGFIYKVNL-HXUWFJFHSA-N 429.948 5.150 30 20 IKED C=CC[C@H](NC(=O)CSc1ncnc2scc(-c3ccccc3)c12)c1ccncc1 734456661 ADSDPZLOOZVPMS-IBGZPJMESA-N 432.574 5.279 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 735208911 OWHLJVNZHMFNKS-FQEVSTJZSA-N 429.863 5.274 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C)c(C)c2)[n+]2cccc(O)c2Cl)c1 735666338 LMDAUIUBBIFPDB-UHFFFAOYSA-O 435.956 5.255 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)Cc3cccc(OCc4ccccc4Cl)c3)[nH]c12 735793464 STSFPFAJAGEHEQ-HXUWFJFHSA-N 429.907 5.523 30 20 IKED CN1CCC(N(C)c2ccc(NC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)cc2)CC1 737805638 HIKQHVNTXOLUII-UHFFFAOYSA-N 439.563 5.085 30 20 IKED C=CCn1c(SCc2nnc(-c3cccc(F)c3)o2)nnc1-c1ccc(Cl)cc1 741851102 WHJQQNQSGRIXTM-UHFFFAOYSA-N 427.892 5.266 30 20 IKED CC(=O)N(c1nc(/C=C2\Cc3cc(Cl)ccc3C2=O)cs1)c1ccc(F)cc1F 742437590 OTBFGFWQJBITJU-MDWZMJQESA-N 430.863 5.582 30 20 IKED C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(Oc4cnccn4)cc3)c12 743057176 QVUNQYKLOHGCGL-JLHYYAGUSA-N 435.487 5.262 30 20 IKED N#Cc1ccccc1NC(=S)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 743591009 YXZQFULFLRITJF-UHFFFAOYSA-N 446.963 5.500 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c1 746250980 KFANRRILRQBJKD-LOSJGSFVSA-N 444.506 5.005 30 20 IKED CCOc1ccc(-n2c(-c3ccc(Cl)cc3)nn(CN(C)C[C@@H](C)C#N)c2=S)cc1 746707195 ZIFYCSKQQCZONE-INIZCTEOSA-N 441.988 5.171 30 20 IKED C=CC[C@@H](NC(=O)C(=O)Nc1ccc(Sc2ccc(C)cc2C)cc1)c1ccncc1 749726863 RLTSEOHGTUNCDU-JOCHJYFZSA-N 431.561 5.222 30 20 IKED Clc1ccc(CSc2nncn2N=Cc2c[nH]c3cccc(Br)c23)cc1 754713378 IFYGQIBHFAOAKF-UHFFFAOYSA-N 446.761 5.350 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC[C@@H](O)c1ccc(C#N)cc1 754865959 JFYAJSCVEWRCEA-BFUOFWGJSA-N 442.382 5.137 30 20 IKED Cc1cc(C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c(C)n1-c1ccc(C#N)cc1 756634647 NBZHGOKKPKHELF-ZCYQVOJMSA-N 431.511 5.097 30 20 IKED N#Cc1ccc(NC(=S)N(Cc2ccccc2)C[C@H](O)c2ccsc2)cc1Cl 756808733 MPEYKZLYSICFMH-FQEVSTJZSA-N 427.982 5.206 30 20 IKED C=CCc1cc(C(=O)O[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc(OC)c1OC 761185521 ZJLGLANIQGPWQI-CYBMUJFWSA-N 428.872 5.054 30 20 IKED CC[C@@]1(c2ccccc2)NC(=O)N(c2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1=O 771815638 CKKGPKJZYNUOAW-OFVILXPXSA-N 429.907 5.357 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)c1 772127968 WYMKGOVWVCOIRG-UHFFFAOYSA-N 425.444 5.031 30 20 IKED CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)CCCCOc1cccc(C#N)c1)CC2 772772768 NDPUAUZYLXYZBD-UHFFFAOYSA-N 435.524 5.044 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)c1 772983427 HWWTZZDIEANTPP-KNQAVFIVSA-N 433.577 5.667 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NN[C@@H]2CCCCC2(C)C)cs1 773126045 RHRSONPKCZDTLM-GOSISDBHSA-N 438.519 5.739 30 20 IKED C[C@H](N[C@H](C)c1ccccc1C(F)(F)F)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 775458728 MIRQPWMGFZFOGC-SFYZADRCSA-N 426.307 5.079 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(-n2cnc3ccccc32)cc1 778297969 NEFFIOUUHQDKSJ-QFIPXVFZSA-N 430.467 5.140 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCCc3cn(C(C)C)nc32)cc1 780422117 KVEXFAMUVKQLTM-NRFANRHFSA-N 445.523 5.336 30 20 IKED C=CCn1c(SCC(=O)O[C@@H](C)c2cccc(C#N)c2)nnc1-c1ccc(Cl)cc1 781867490 YXJQULBFTVNRMN-HNNXBMFYSA-N 438.940 5.053 30 20 IKED FC(F)(F)c1ccc(-c2n[nH]cc2C=Nn2c(S)nnc2-c2ccccc2Cl)cc1 782141736 CAGBGABFNCSWLP-UHFFFAOYSA-N 448.861 5.178 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)CC(C)(C)Cc2ccc(Cl)cc2)ccc1OC 782474251 GTWFEILQKZYVFL-HXUWFJFHSA-N 428.960 5.305 30 20 IKED CC(C)(C(=O)N[C@@H]1CCc2cc(C#N)ccc21)[C@@H](O)c1ccc(OCc2ccccc2)cc1 787843104 JIOYZXGKDAOLBV-FTJBHMTQSA-N 440.543 5.001 30 20 IKED C=CC[C@@H](NC(=O)N1CCC(c2nc(-c3ccccc3OC)cs2)CC1)c1ccncc1 790373076 CAVFOTNPMFFDNS-OAQYLSRUSA-N 448.592 5.420 30 20 IKED Cc1cc(Cl)ccc1O[C@@H](C(=O)[C@H](C#N)c1cnc2ccccc2n1)c1ccccc1 792108883 PEKNCVQEXUVAFW-KBMIEXCESA-N 427.891 5.588 30 20 IKED O=C1/C(=C\c2ccc(-c3ccc(C(F)(F)F)cc3)o2)CCc2c1cnn2-c1ncccn1 792898730 FNIVDPIYIAASEZ-QINSGFPZSA-N 436.393 5.154 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 794672063 ZSVLELLNVBISFJ-BAEUJYSMSA-N 445.588 5.084 30 20 IKED CC(C)Cc1cccc([C@@H](C)C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1 796753928 OVNNDSXIILSULV-BEFAXECRSA-N 433.577 5.454 30 20 IKED CN(C(=O)c1ccccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1)C1CCCCC1 814616622 ABZSHMXKOPALFL-QHCPKHFHSA-N 432.568 5.648 30 20 IKED C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc(N3CCCCC3)cc2)no1 904610404 CLLRNHIOGGKPPS-GOSISDBHSA-N 432.952 5.435 30 20 IKED Cc1[nH]c(C#N)cc1-c1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1 904669946 GADLJFJIOUEQGG-UHFFFAOYSA-N 445.788 5.771 30 20 IKED N#CCCn1cc(C(=O)COC(=O)/C=C/c2ccc3ccc(Cl)cc3n2)c2ccccc21 912874686 ZCNYZCWRVXAFJQ-ZHACJKMWSA-N 443.890 5.196 30 20 IKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccco2)C1=O)Nc1ccccc1 916212580 YRXLTCSQTKKJKW-LJQANCHMSA-N 439.924 5.094 30 20 IKED Sc1nnc(-c2cccs2)n1N=Cc1csc(-c2cccc(Br)c2)n1 916313938 IKNDXFWXEBBSEB-UHFFFAOYSA-N 448.396 5.064 30 20 IKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)sc2cccc(F)c12 916904598 GXGSSDUUAIVSSK-QGZVFWFLSA-N 444.487 6.102 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(COc3ccc4ccccc4c3)o2)cc1 916910577 PXLCLJKHPSAQSE-DEOSSOPVSA-N 438.483 5.535 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3ccc(OC)cc3)nc2C)cc1 916953522 CUJOWVFZCPKNRI-YCRPNKLZSA-N 447.560 5.602 30 20 IKED N#C[C@H](C(=O)/C=C\c1cnc2ccccc2n1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 917031600 ZOKPLGYDKVWNPX-UDMCFESRSA-N 440.572 5.444 30 20 IKED CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cccc(Cl)c2)cc1 917613176 MGOKEDJRXHQYCG-UHFFFAOYSA-O 434.972 5.775 30 20 IKED N#C[C@@H](C(=O)CCCOc1ccccc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1 918489982 OUYVZGQTNRXKLE-HNNXBMFYSA-N 449.334 6.291 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1ccccc1CSc1nc2ccccc2o1 920016471 ANKXDXNEOAGJQD-UHFFFAOYSA-N 429.501 5.643 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Oc2cccnc2)cc1 920791962 IXZKYPFMIBSILM-KRWDZBQOSA-N 426.259 5.142 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(F)(F)F)c[nH]3)CCC2)cc1 1789454454 ZDKIQQRKXLLZKZ-IBGZPJMESA-N 445.485 5.550 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)OCCO4)CCC2)cc1 1789626187 KKNJDFXUNBUHIW-UHFFFAOYSA-N 448.563 5.198 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ccc4[nH]c(C)cc4c3)cc2)CCC1)C(F)(F)F 1790989627 MGKQASYYZWLNAK-UHFFFAOYSA-N 441.453 5.343 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc3ccccc23)c1 1797301399 PINUNSIHQZIUAD-ABQRKTDGSA-N 437.543 5.032 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccnc3ccccc23)[nH]n1 1814443357 UOVRVYNZPZDDMN-QFIPXVFZSA-N 445.567 5.256 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1828744343 DSEQKZZANCXYBJ-HTAPYJJXSA-N 442.003 5.267 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC2Cc3ccccc3C2)CC1 1828829667 KXRNXQHCMCYGII-KAYWLYCHSA-N 448.651 5.180 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccccc2)CC1 1831370754 OXBFXJNKZLLOBV-BWKNWUBXSA-N 445.607 5.194 30 20 IKED C=CC[C@@H](C)C(=O)N1CC2(CCCN2C(=O)C2CCC(c3ccc(Cl)cc3)CC2)C1 1841409313 DVAFOSZQCGQWDV-LWEYNCJUSA-N 429.004 5.029 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)n(C)c1C)=C(/S)Nc1cccc2ccccc12 11126742 WCBUUAQRBPRXPT-UHFFFAOYSA-O 442.608 5.696 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2C)nnc1-c1ccc(Cl)cc1 16862740 ORWNDQBJULHWME-INIZCTEOSA-N 426.973 5.521 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(NCc2ccc(F)cc2)s1 21738095 HPFJNHMFSHDHJT-UHFFFAOYSA-N 446.598 5.298 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)cc1 29152564 NYSFXZWXXBMXNL-HSZRJFAPSA-N 442.519 5.018 30 20 IKED CSCc1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)oc2ccccc12 31776829 FXBFUYHMMMYXEJ-UHFFFAOYSA-N 428.513 5.999 30 20 IKED CN(Cc1ccc(Br)s1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 32043093 SHIHAMFVSRDVQI-UHFFFAOYSA-N 441.350 5.233 30 20 IKED COc1ccc2c(c1)CN(C(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)CC2 62251959 IQYXYMVGSLTVRC-HSZRJFAPSA-N 431.923 5.594 30 20 IKED C=CCn1c(SCc2nn(-c3ccccc3)c3c2CCC3)nnc1-c1ccccc1OC 72052213 AWTLHPFNTUDDSG-UHFFFAOYSA-N 443.576 5.106 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)nnc1-c1ccccc1F 218660137 GQXHKRYJANPYFK-QAPCUYQASA-N 442.585 5.176 30 20 IKED CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1 303629916 FITHADRDYNPWNS-JGCGQSQUSA-N 446.572 5.437 30 20 IKED N/C(=N/Cc1ccc(COC2CCOCC2)cc1)Nc1cccc(Oc2ccccc2)c1 305194622 ICHZLZJQESEOBV-UHFFFAOYSA-N 431.536 5.101 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2sccc2C(=O)C(C)(C)C)nnc1-c1ccco1 429516976 IZNROMPCXAEFPU-UHFFFAOYSA-N 444.582 5.135 30 20 IKED CCCNc1ccc(C#N)cc1NC(=O)c1cc(C(F)(F)F)ccc1Br 433172906 DSZJINZWOFNIQE-UHFFFAOYSA-N 426.236 5.414 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2c(Cl)ccc3c2CCO3)cc1 433489569 ZGFGRRCPXIMGBA-UHFFFAOYSA-N 435.886 5.520 30 20 IKED COC(=O)c1ccccc1-c1ccccc1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 436031267 XKJJPLWIGNIBFN-NRFANRHFSA-N 438.405 5.154 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 438179420 QEQQKYHMUKROBM-NHCUHLMSSA-N 439.441 5.195 30 20 IKED N#CCCN(Cc1cccnc1)C(=O)c1oc2ccccc2c1CSc1ccccc1F 460132906 LMKLZCCGHAQZDH-UHFFFAOYSA-N 445.519 5.815 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ncoc3-c3ccccc3Cl)cc2F)c1 460152015 RUWJCEWSSUEWLF-UHFFFAOYSA-N 447.853 5.837 30 20 IKED Cc1ccccc1[C@@H]1CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@H](C)CO1 460386596 LAVRWSNDSNLQBE-IBVKSMDESA-N 426.516 5.048 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H]2CC[C@@H](c3ccccc3)O2)cc1 460872240 HLOBIHACKIMETA-VWNXMTODSA-N 428.557 5.501 30 20 IKED N#Cc1cccnc1-n1cc(NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cn1 461407100 MGDOBJSWVUMWGV-UHFFFAOYSA-N 446.854 5.105 30 20 IKED Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3ccc(COc4ccccc4C#N)o3)cc2)n1 461565737 QXAZVDSFUKSXHY-LJQANCHMSA-N 440.503 5.024 30 20 IKED CN1CCC[C@H](CNCc2cccc(OCc3cccc(C#N)c3)c2)[C@H]1c1cccs1 462731357 NBYWRELSGGPEJI-BVAGGSTKSA-N 431.605 5.371 30 20 IKED COc1cc(CN[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c([N+](=O)[O-])cc1F 464483469 YFXKUPAIIJDXMG-OAHLLOKOSA-N 426.288 5.155 30 20 IKED CC(C)Oc1ccc(-c2nc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cs2)cc1 464944660 XUHVNQFRAUXGDW-JTHBVZDNSA-N 431.561 5.509 30 20 IKED Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470543377 VCVTYECEBZACED-HXUWFJFHSA-N 434.540 5.006 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 473799633 ULUYDWYVWKBATO-UHFFFAOYSA-N 448.350 5.477 30 20 IKED CN1Cc2cc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)ccc2NC1=O 478993642 DWWVXLMASMTZGA-UHFFFAOYSA-N 432.867 5.234 30 20 IKED N#CC1(NC(=O)c2ccc(Oc3ccc(F)cc3F)cc2)CCN(Cc2ccccc2)CC1 479304882 FWIBPHZQXMQRAK-UHFFFAOYSA-N 447.485 5.045 30 20 IKED CCc1ccc([C@@H]2COCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)o1 480314346 MDWSZKXFXGHYTA-DEOSSOPVSA-N 445.519 5.092 30 20 IKED C[C@@H](N[C@@H](c1cccc(F)c1)c1nccn1C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 480355747 KOFCVYPNSZGTHI-XIKOKIGWSA-N 445.382 6.037 30 20 IKED C=C(C)[C@@H](NC(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1ccc(F)c(F)c1 480746319 QHSCMFPUGCRMIS-OAQYLSRUSA-N 440.450 5.243 30 20 IKED CCN(C(=O)CSc1ccc(C#N)cc1)[C@H](c1cccnc1)c1csc2ccccc12 480972327 QSYDGZCTGWJZGQ-RUZDIDTESA-N 443.597 5.898 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nn1-c1cccc(F)c1 481000132 AGANVZPHHODETH-OAHLLOKOSA-N 438.434 5.212 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nc3ccccc3n2C(F)F)c1 481057035 MSHBHGQMIQRKJZ-MRXNPFEDSA-N 428.508 5.476 30 20 IKED C[C@@H](Nc1ccc(C(=O)[C@H](C#N)c2nccc3ccccc23)cc1[N+](=O)[O-])c1ccccn1 483230334 PSIPUYOZTIONJI-OXQOHEQNSA-N 437.459 5.201 30 20 IKED CCCc1c(C(=O)[C@@H](C#N)c2nccc3ccccc23)cnn1-c1cc(F)c(OC)cc1F 483239679 SOMIRARWNOPNSI-KRWDZBQOSA-N 446.457 5.150 30 20 IKED CC(C)[C@@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)S(=O)(=O)C1CCCCC1 483471713 QUUUOJAGPREMLA-QHCPKHFHSA-N 440.565 5.061 30 20 IKED Cc1c([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)oc2ccccc12 484591607 DXPLHOCBCOVCHW-KRWDZBQOSA-N 439.471 5.221 30 20 IKED Cc1cccc(-n2ncc(C(=O)Nc3cc(F)c(OC(F)F)cc3F)c2C(F)(F)F)c1 490282449 HIHJBXIKYRZCKU-UHFFFAOYSA-N 447.310 5.331 30 20 IKED CCn1c(NC(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)nc2cc(C#N)ccc21 490797263 UWBRWQURTLAKLV-UHFFFAOYSA-N 438.491 5.133 30 20 IKED COc1ccccc1C(C)(C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 491515300 QYTQZXPBUITQKE-UHFFFAOYSA-N 429.520 5.511 30 20 IKED O=C(Nc1ncc(Cc2ccccc2F)s1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 496379710 ORDVLTIXSUMATE-UHFFFAOYSA-N 441.372 5.222 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](c3cccc(F)c3)c3ccccn3)cc2)cc1 499552807 FWWVFEMGGFEAIH-VWLOTQADSA-N 438.462 5.796 30 20 IKED C=C(C)[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F)c1ccc(F)c(F)c1 499561078 AEJNJQXXWPYDCC-INIZCTEOSA-N 432.776 5.009 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccccc2CN2CCc3ccccc32)cc1 502594583 JXGQJRJWWWESAW-UHFFFAOYSA-N 441.535 5.201 30 20 IKED Cc1cc(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)nn1-c1cccc(C#N)c1 503356990 ORUQVXUVDMAERI-UHFFFAOYSA-N 429.867 5.145 30 20 IKED C=CCN(CCc1ccccc1)C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 506495985 RDGTZBXYNXVUKW-UHFFFAOYSA-N 425.532 5.152 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1 507823288 FMXNISZRRIYQHM-INIZCTEOSA-N 435.911 5.760 30 20 IKED CCOc1ccccc1CN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 508276926 XQQRWHQUIHGFIK-UHFFFAOYSA-N 431.492 5.422 30 20 IKED C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCC(c2noc(C3CC3)n2)CC1 508841882 UWILWFONGVKAEF-UHFFFAOYSA-N 445.354 5.082 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CSc2ncc(-c3ccc(Cl)cc3)o2)cc1 514322268 CODSMRZUJODNKM-UHFFFAOYSA-N 441.940 5.433 30 20 IKED N#C[C@@H](C(=O)c1ccc(Sc2ccccn2)cc1)c1nc(-c2c(F)cccc2F)cs1 517277673 KSQYQGFGWLWLGM-INIZCTEOSA-N 449.507 6.125 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NC[C@H](Cc3ccccc3)C(F)(F)F)cc2)ccn1 518015636 QRQSJNJFBAEXEK-KRWDZBQOSA-N 440.425 5.288 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1(c2ccccc2)CCCCCC1 518159338 SWQWLXQZMHHNOP-FQEVSTJZSA-N 449.620 5.285 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)c1 524058106 BBFQRFRSPRFXKK-UHFFFAOYSA-N 440.421 5.211 30 20 IKED CC(C)[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nc(C2CC2)no1 524367353 XNNQTABITGDCQI-TZIWHRDSSA-N 449.942 5.775 30 20 IKED C=CCn1c(SCC(=O)N2[C@H]3CC[C@H]2c2ccccc23)nnc1-c1ccc(Cl)cc1 527270172 FJFAWTVUWISXQA-PMACEKPBSA-N 436.968 5.295 30 20 IKED COc1cccc(COc2cccc(NC(=O)CSCc3ccc(C#N)cc3)c2C)c1 535217114 ZNQPCLVLQRYPSV-UHFFFAOYSA-N 432.545 5.326 30 20 IKED Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)c1ccc(CC#N)cc1 535451043 RDUXTNYGIWLTPW-UHFFFAOYSA-N 426.495 6.050 30 20 IKED CCc1nc2ccccc2n1C1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 539028530 WDMCXSZZPYNFFY-GOSISDBHSA-N 447.608 5.719 30 20 IKED Cn1cc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c(-c2ccccc2)n1 540236450 UVOYCFUVAWUVAC-UHFFFAOYSA-N 428.879 5.657 30 20 IKED CCN(Cc1cccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1)C(C)=O 541065021 AWVXPCALGVOPKW-LJQANCHMSA-N 440.547 5.476 30 20 IKED CCOc1ccc(-n2c(SCCOCCC#N)nnc2-c2cccc(Cl)c2)cc1 549013246 XLLQWFRQUJELJO-UHFFFAOYSA-N 428.945 5.009 30 20 IKED N#CCCC[C@H](NC(=O)C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1)c1ccccc1 551831063 PGNGOYSREXKFPX-NRFANRHFSA-N 449.457 5.247 30 20 IKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N(CCC#N)c1ccc(F)cc1 554286996 YEDAMMYWIRRBDQ-UHFFFAOYSA-N 445.325 5.424 30 20 IKED Cc1ccc(OCc2ccccc2)c(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)c1 558637815 QEWQQGNHEFZJGW-UHFFFAOYSA-N 426.520 5.058 30 20 IKED C[C@H](Cc1cccc(O)c1)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 571068893 RIIVVASSFJYYIC-MRXNPFEDSA-N 435.911 5.249 30 20 IKED N#Cc1ccc(N2CC[C@@H](c3nc([C@H](F)c4ccc(C(F)(F)F)cc4)no3)C2)c(F)c1 573762092 BNTPVMGWTQWJNI-RDTXWAMCSA-N 434.368 5.152 30 20 IKED CCS(=O)(=O)c1ccccc1Oc1ccc(NCc2ccc(Cl)cc2C#N)cc1 577917204 KZUJEIYEZATYNL-UHFFFAOYSA-N 426.925 5.410 30 20 IKED COc1cc(C#N)ccc1OCCSc1nnc(-c2ccc(F)cc2)c2ccccc12 584023438 NXVONRQMUGBBDB-UHFFFAOYSA-N 431.492 5.487 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 592973367 FBDPSTJXABDGPM-GFCCVEGCSA-N 425.466 5.141 30 20 IKED CCOc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 603690721 OYFHTOCVTIQTDA-QHCPKHFHSA-N 428.492 5.513 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@H](c3ccccc3)c3ccco3)c2)cc1 603801636 DJHHQRVEAAZTNM-AREMUKBSSA-N 437.499 5.836 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc2c(c1)CC(=O)N2 604089842 NXLGMTCWRXLLGO-CQSZACIVSA-N 446.894 5.381 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CSc1ccc2c(c1)OCCO2 604357723 MCODLGRTFGIVEK-UHFFFAOYSA-N 432.501 5.161 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)cc1 604461829 DJULBGRCFADDSA-QHCPKHFHSA-N 441.487 5.491 30 20 IKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604522829 FBZFJNAMZKZUKC-ATIYNZHBSA-N 441.531 5.982 30 20 IKED N#C[C@@H](C(=O)c1ccc(NC(=O)CSc2cccs2)cc1)c1nc2ccccc2o1 605074785 BKMJQWNSDOCKAE-INIZCTEOSA-N 433.514 5.110 30 20 IKED O=C(Nc1ccc(F)c(F)c1)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 608762701 BNCMGFKCGNGICO-UHFFFAOYSA-N 435.274 5.440 30 20 IKED CCn1c([C@@H]2CCCN2C(=O)c2ccc(COc3ccc(C#N)cc3)o2)nc2ccccc21 609058993 FKTFFAYTXNSOKI-QHCPKHFHSA-N 440.503 5.077 30 20 IKED COc1cc(C#N)ccc1OCC(=O)Nc1ccc(OCc2cccc(Cl)c2)cc1C 609062494 SGGQUBHXQVACNR-UHFFFAOYSA-N 436.895 5.125 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@@H](C)c1cc(F)ccc1F 609079285 UGDCBSBPZIZESC-KRWDZBQOSA-N 435.474 5.949 30 20 IKED COc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 609080508 ZNRGEOKKHWCBDM-QGZVFWFLSA-N 449.938 6.024 30 20 IKED Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609104933 QUOXCDWKZYPGCN-UHFFFAOYSA-N 447.491 5.483 30 20 IKED Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609176385 GVIPWYJGIZNJOS-UHFFFAOYSA-N 439.519 5.129 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N(C)c3ccc(C#N)cc3F)cc12 609216349 MJIVWCRSURODRO-UHFFFAOYSA-N 438.915 5.395 30 20 IKED CCN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H](C)c1cccc(C(F)(F)F)c1 609401942 LSPLOLQQGZOIEN-JKSUJKDBSA-N 435.515 6.572 30 20 IKED Cn1cc(-c2cncc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c2)cn1 609410174 JPLQMGSDUHYEFU-QFIPXVFZSA-N 427.895 5.043 30 20 IKED N#CC1(C(=O)Nc2ccc(Oc3ccnc4cc(Cl)ccc34)c(F)c2)CCOCC1 609450004 KHVXRJHMCUUCQR-UHFFFAOYSA-N 425.847 5.078 30 20 IKED C[C@@H](c1ccccc1)N1CCC(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 609711756 PSQRNHBALQNXEF-FQEVSTJZSA-N 440.547 5.698 30 20 IKED CN(C)CCOc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 609723636 PBCTTYPWLANPLC-UHFFFAOYSA-N 435.911 5.197 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NC2(c3ccccc3)CCOCC2)c1 609724788 LZRPXRGBXULSDL-UHFFFAOYSA-N 432.907 5.440 30 20 IKED CC(C)(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 610040450 SENNEGSRGQSYFQ-NRFANRHFSA-N 433.895 5.820 30 20 IKED C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccccc1C(F)(F)F 610227845 NHBRYGAKSBRTHB-LBPRGKRZSA-N 446.416 6.472 30 20 IKED COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1 612298633 CJUIGKOEWIEDAY-HXOBKFHXSA-N 428.492 5.369 30 20 IKED O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674616102 FDZFDJWHZFLQSE-IXDOHACOSA-N 434.355 5.297 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H](C)Sc2ccc(NC(C)=O)cc2)c1 728181880 HTYDMYRVAXWUBL-QGZVFWFLSA-N 434.586 5.402 30 20 IKED COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 730061111 PDCWLNHBBQKEIO-DQEYMECFSA-N 425.532 6.110 30 20 IKED COc1ccc(-c2ccc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)c(F)c2)cc1 731645481 NPSCGXRJRQHBEB-OAQYLSRUSA-N 428.385 5.515 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)cc1 732417969 MXAANDRHTYCORC-IFMALSPDSA-N 440.330 5.504 30 20 IKED COc1cc(C(=O)/C=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1OC(F)F 733083650 OEYBGTNMSXPPKO-SREVYHEPSA-N 432.404 5.224 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc3nc(C4CC4)sc3c2)ccc1OC 733627077 DLDZVYINYQKHGH-QGZVFWFLSA-N 436.537 5.185 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(COc3ccc(C)nc3)c2)cc1 734080032 HUFYMVPXAZQZAC-CJAUYULYSA-N 441.531 5.444 30 20 IKED COc1ccc(-c2nc(S[C@H](C)c3ncc(-c4ccccc4)o3)nc(O)c2C#N)cc1 741167351 WGSPEDRTZACRSD-CQSZACIVSA-N 430.489 5.238 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)cc1 743294624 QUAGRAQAGKRYMF-WNCULLNHSA-N 438.575 5.376 30 20 IKED N#C[C@H](C(=O)CCCOc1ccc(F)cc1F)c1nc2cc(C(F)(F)F)ccc2s1 743447978 YKBNCLLKRVZVEZ-CYBMUJFWSA-N 440.393 5.629 30 20 IKED CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cc(C#N)cs2)NC(=S)N1c1ccccc1 747959980 GATFJBVNWCSBSY-OAQYLSRUSA-N 448.548 5.107 30 20 IKED O=C(/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(N2CCOC2=O)cc1 748584799 VRSVLYPKUXQKIW-TWGQIWQCSA-N 438.823 5.361 30 20 IKED N#Cc1cccc([C@@H]2CN(Cc3csc(-c4ccc(Br)cc4)n3)CCO2)c1 761757027 GWNSGKFRBQWZOJ-FQEVSTJZSA-N 440.366 5.018 30 20 IKED CC(C)(C)OC(=O)N1[C@H](C(=O)[C@H](C#N)c2nc3ccccc3s2)C[C@H]2CCCC[C@@H]21 777292373 YXIPMKLZXRHYFN-FZCLSBEQSA-N 425.554 5.041 30 20 IKED CC(C)(C)OC(=O)N1CCCc2c(C(=O)[C@H](C#N)c3nc4ccccc4s3)cccc21 778599954 UDZPJWQXKZZQNH-KRWDZBQOSA-N 433.533 5.474 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CSC1CCN(C(=O)OC(C)(C)C)CC1 789888001 HRICLPDYNDOPND-UHFFFAOYSA-N 432.630 5.610 30 20 IKED C=CCCc1ccccc1NC(=O)C(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 800629256 CAEIJOUJOXDBJQ-UHFFFAOYSA-N 449.551 5.070 30 20 IKED C[C@H](Cc1cncc2ccccc12)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 805856577 YNGPPJKGZVWKED-NTKDMRAZSA-N 449.510 5.553 30 20 IKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1CC(C)(C)CCC#N 807929585 KZJNICVTOLNWSA-OAQYLSRUSA-N 448.592 5.285 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)cc1 808815126 ASWZHIFPTUCJKM-XZOQPEGZSA-N 441.535 5.752 30 20 IKED C#C[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccc(Cl)cc1 810167626 MMZRRIQEMUHWPN-QGZVFWFLSA-N 428.275 5.335 30 20 IKED N#C[C@@H](C(=O)[C@H](Sc1ccccc1F)c1ccccc1)c1cc(C(F)(F)F)ccn1 813211472 KXGMVNQCMCUSSG-IIBYNOLFSA-N 430.426 5.949 30 20 IKED CCN(CC)[C@@H](C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)c1cccc(C(F)(F)F)c1 813215686 AWSBJUPAETUOQA-FUHWJXTLSA-N 443.391 5.379 30 20 IKED C#Cc1cccc(NC(=O)[C@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)c1 817884453 LWIDNZXTCVSLDR-HNNXBMFYSA-N 445.569 5.306 30 20 IKED COc1ccccc1N=C1SCCN1C(=O)c1cc(-c2ccccc2)nc2onc(C)c12 835079634 FLUSAHQQLDDBKB-UHFFFAOYSA-N 444.516 5.084 30 20 IKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cc2c(cc1F)CCC(=O)N2 914747030 ILIQVHWXNQOIES-IWQZZHSRSA-N 446.322 5.400 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 915086343 UDUMIGKNBXOOJG-RUZDIDTESA-N 431.495 5.847 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=S)NCCSc2ccc(Cl)cc2)cc1 915124450 IZOXIBZOCZMBFB-QFIPXVFZSA-N 438.021 6.074 30 20 IKED C[C@@H](c1ccc(Cl)cc1Cl)N(C)CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 915215953 DKGDNANVAYNSKU-GUYCJALGSA-N 425.319 5.223 30 20 IKED COc1cc([C@H](C)/N=C/c2cc(Br)ccc2O)ccc1OCc1ccncc1 915981690 VWZSODDKZOIMAG-SQAVSUBZSA-N 441.325 5.317 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2cccc(C(F)(F)F)c2)cs1 916259932 JXOJLAUNLXTCJB-UHFFFAOYSA-N 438.862 5.946 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(Br)s1 916309348 FXWYYKVDFRHGEU-UHFFFAOYSA-N 430.352 5.140 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(Br)cs2)cc1 916626491 BHYAHRHNVNJAHP-IBGZPJMESA-N 426.339 5.488 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc2c(s1)-c1ccccc1CC2 916900059 MCTXWWNGHQKVCW-NRFANRHFSA-N 428.557 5.600 30 20 IKED N#C[C@H](C(=O)CCCSc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl 916927899 DYVVCKQAHKTXCV-OAHLLOKOSA-N 441.767 5.867 30 20 IKED Cc1ccc(-c2nc(CC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cs2)cc1 916976461 OTPOTTCKJWFHNQ-IBGZPJMESA-N 449.988 6.314 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c1=S 917478616 SXDYHDXYHNQSME-LJQANCHMSA-N 446.407 5.763 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CCOc3ccc(F)cc3C2=O)cs1 917560570 RJSAKZRAGNCFQS-GXDHUFHOSA-N 426.444 5.155 30 20 IKED COc1ccc2c(c1)C(=O)/C(=C\c1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)CO2 917560641 UEPQVUCBORMNFX-ZROIWOOFSA-N 440.908 5.148 30 20 IKED COc1ccc(Br)cc1-c1nc(COC(=O)c2cccc(CC#N)c2)cs1 919310797 VVXWIAOXLFFEBQ-UHFFFAOYSA-N 443.322 5.004 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(C2SCCS2)cc1 919893964 UARDHTJPTDULRD-UHFFFAOYSA-N 432.570 6.390 30 20 IKED COc1ccc2c(c1)CCC[C@H]2CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 920110533 RLJONQKGLSHGNX-KSSFIOAISA-N 431.319 5.160 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2cccc(Cl)c2)cs1 920361617 SGTDUKIWVRMTPF-UHFFFAOYSA-N 438.862 5.946 30 20 IKED N#CCc1ccc(NC(=O)COC(=O)/C(=C\c2ccc(Cl)cc2)c2ccc(F)cc2)cc1 921249250 QQUDLGVZOFBONR-HAHDFKILSA-N 448.881 5.268 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc4cccnc4[nH]3)cc2)CCC1 1789315375 SSYHIDZBISKFHL-UHFFFAOYSA-N 430.552 5.303 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(C)ccc4[nH]3)CCC2)cc1 1790568247 PPZJUKQOWWZCLF-GOSISDBHSA-N 446.551 5.025 30 20 IKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4c(F)cccc4F)CCC3)cc2)c1 1790764837 MCWHJHCBRUMQPA-UHFFFAOYSA-N 449.432 5.037 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(C)oc4cc(O)ccc34)CCC2)cc1 1791247888 LBLXIVDLANGGJH-MRXNPFEDSA-N 432.520 5.407 30 20 IKED Cc1occc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792122224 GXISZDNSBGBRSY-KRWDZBQOSA-N 427.504 5.277 30 20 IKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)c(Cl)c(Cl)c1)C2 1801642535 QVGRVMBNFXCBLO-MHEUCROKSA-N 429.775 5.111 30 20 IKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)CCCCCC(C)(C)C)[C@@H]2c2cccnc2)C1 1802413085 KVNOAKIPLYVTLK-XUZZJYLKSA-N 425.617 5.050 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(CCC)cc2)[C@H]1c1cccnc1 1812026568 MNWOXMUQZNGQSO-CLJLJLNGSA-N 445.607 5.122 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3ccoc3c2)[C@H]1c1cccnc1 1812149156 XUEOSKPWJOZIQF-LADGPHEKSA-N 445.563 5.140 30 20 IKED C=CCC(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(CCCCC)cc2)[C@@H]1c1cccnc1 1813052469 LPMUPMPOMCBTTP-HTJPCGSQSA-N 445.607 5.110 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccsc2)CC1 1825301262 PQUKFNKPXLLKAF-LZTDBUPCSA-N 426.626 5.149 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 1828831064 UIVWUTCWFDNIHI-HSQNVRHTSA-N 426.645 5.201 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 1831374994 LHISHMUVGFVJDY-OXQOHEQNSA-N 437.411 5.439 30 20 IKED C[C@H](NC(=O)COC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(F)cc1 9073320 ZGBXZPSNZARINH-KRWDZBQOSA-N 448.519 5.024 30 20 IKED Cc1ccc(-n2c(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)nnc2-c2ccccc2)cc1C 10212473 SFPVRWMEMVNAHK-KBMIEXCESA-N 447.608 5.086 30 20 IKED C=CCn1c(SCc2nnc(-c3ccccc3Cl)o2)nnc1-c1ccc(Cl)cc1 10240243 COWMRATZIYLOIG-UHFFFAOYSA-N 444.347 5.780 30 20 IKED CN(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccccc2Cl)cc1 10826453 UDTATSSCYOPMFD-UHFFFAOYSA-O 446.930 5.023 30 20 IKED C=CCn1c(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)nnc1-c1cccnc1 18405228 HZWCWIQNDGXPON-UHFFFAOYSA-N 449.605 5.029 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1cccc(C)c1 22212613 GOLCVNFCYZVLPR-AWEZNQCLSA-N 447.391 5.866 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2cccc(C#Cc3cccs3)c2)cc(OC)c1OC 58537534 ODBMEOOOWTYJJK-INIZCTEOSA-N 436.533 5.056 30 20 IKED CCCNC(=O)c1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 60645199 GQPVQDAVSINURU-UHFFFAOYSA-N 429.545 5.243 30 20 IKED COc1ccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(OC)c1 63641436 IAKCBRAPCHABOD-KRWDZBQOSA-N 431.492 5.115 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1 195662651 ZIZJRIMIEXQYNS-JOCHJYFZSA-N 436.496 5.146 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl 217050209 UDXYAPUXJXQORA-GFCCVEGCSA-N 437.352 5.148 30 20 IKED C=CCN(CCc1ccccc1)C(=O)c1oc2ccccc2c1CSc1ncccn1 303042220 SMWUCBVHYQZPBN-UHFFFAOYSA-N 429.545 5.386 30 20 IKED CC(=O)Nc1nc(CSc2nc(-c3ccc(C)o3)cc(C(F)(F)F)c2C#N)cs1 303618237 PFAPUHRNRBWLSF-UHFFFAOYSA-N 438.456 5.248 30 20 IKED Cn1c(CCCNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)nc2ccccc21 303755068 JEUOZJFTLUCLPN-UHFFFAOYSA-N 444.922 5.253 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3cccc4ccccc34)o2)cc1 303844986 IZLXDCKRBMJXND-GOSISDBHSA-N 442.544 5.626 30 20 IKED Cc1nc(C)n(Cc2cccc(NC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)c2)n1 428884571 SCDBROVJMQIFEX-UHFFFAOYSA-N 438.491 5.251 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 429210287 XLRUTZDNYGYPLX-UHFFFAOYSA-N 432.568 5.767 30 20 IKED Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)nc12 429602235 XMQJIQBTFXTYRM-LJQANCHMSA-N 432.936 5.702 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N[C@@H](CCCC#N)c3ccccc3)s2)cc1 431930285 FBMVOSVEXRAILV-KNQAVFIVSA-N 432.593 6.222 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1ncc(Br)s1 432509022 IFAZWWNEEKBNOV-NSHDSACASA-N 442.429 5.172 30 20 IKED Cc1ccc(SC2(CNCc3cn(CCC#N)nc3-c3ccncc3)CCCC2)cc1 433333364 GMNRLHWHUVQJAN-UHFFFAOYSA-N 431.609 5.362 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(Cl)cc1-c1ccccc1Cl 433857102 CKTGCEGGENDYNO-UHFFFAOYSA-N 425.319 6.003 30 20 IKED Cc1cccc(C)c1Oc1ccccc1NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 437053768 JECRIUSMJMCFQV-UHFFFAOYSA-N 443.503 5.356 30 20 IKED Cc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)cn1 438537983 CYRDCFKRKPTGIZ-UHFFFAOYSA-N 426.398 5.395 30 20 IKED Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 443865406 FMLWSTVKDZOCOW-VWLOTQADSA-N 439.515 5.097 30 20 IKED CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 444859380 ZTEPOJBXWIIKGD-HXUWFJFHSA-N 435.959 5.680 30 20 IKED CC(C)c1nc2ccccc2n1Cc1noc(/C=C\c2cn(CCC#N)c3ccccc23)n1 445658985 CDVRMYJNURGVMO-SEYXRHQNSA-N 436.519 5.630 30 20 IKED CC[C@@H](N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C)c1ccc(C#N)cc1 447584929 HQMGVDUWHOSZPA-FTJBHMTQSA-N 432.589 5.409 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCS[C@@H]3c3ccc([N+](=O)[O-])cc3)cc2)cc1 460360553 FDQWVFOBMOPOJP-XMMPIXPASA-N 445.500 5.341 30 20 IKED N#Cc1cccc(-c2nnc(N3CCC[C@@H]3c3ccc(Cl)cc3)n2C[C@@H]2CCCCO2)c1 461847165 XNEVNDMMIRJUQG-XZOQPEGZSA-N 447.970 5.381 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(F)c(Br)c1 463102228 BUJAVZIOWFVZRU-UHFFFAOYSA-N 426.245 5.208 30 20 IKED CCOc1ccccc1Oc1ccccc1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 464418852 BOUYYADEKBUJKR-QGZVFWFLSA-N 426.394 5.781 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc(Cl)c1OCCC(C)C 464429463 VXSZNSNLZIWERL-HNNXBMFYSA-N 440.849 5.677 30 20 IKED O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1cccc(OC(F)(F)F)c1 464723074 CIWTVXUIYAROGG-UHFFFAOYSA-N 433.283 5.181 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)Nc2cc(C#N)cn2C(C)(C)C)nc1-c1ccccc1 467228967 JINLFLDVPXRMMN-HXUWFJFHSA-N 445.567 6.262 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NCc1nnc(-c2cccc(C#N)c2)o1 467262157 WYEZNUBFYGTUPH-UHFFFAOYSA-N 443.894 5.435 30 20 IKED C[C@@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccc(-c2ccncc2)cc1 470018201 NPJRXCQHSSQYMD-HXUWFJFHSA-N 433.511 5.690 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1c(C)nn(CC(F)(F)F)c1C 479665779 LGYSDZMQUUKPIF-UHFFFAOYSA-N 442.441 5.216 30 20 IKED C=C(C)[C@@H](NC(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1)c1ccc(F)c(F)c1 480578173 JPYCEGORNISAQG-HXUWFJFHSA-N 436.524 5.117 30 20 IKED COCC[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(C)o1 481660551 UREKLQOAOVYDCV-QHCPKHFHSA-N 433.508 5.132 30 20 IKED CCN(CC)CCOc1ccccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 482073282 XOHMISRLZWVPDJ-UHFFFAOYSA-N 429.520 5.323 30 20 IKED CC(C)(CCC#N)CNC(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1 482523705 HBFJGDWQBHWMOH-UHFFFAOYSA-N 435.981 5.733 30 20 IKED N#C[C@@H](C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)c1nccc2ccccc12 483218411 ZKXOYARMBLEWCC-LJQANCHMSA-N 439.475 5.173 30 20 IKED Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 485453015 QZIRTXIVCVJAAX-UHFFFAOYSA-N 448.473 5.282 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)nnc1-c1cccs1 489429737 OFWQEDQXPUIIQQ-HUUCEWRRSA-N 430.624 5.098 30 20 IKED N#Cc1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2cccc3ccccc23)c(Cl)c1 490484799 LKVQBOKCUCDLIW-DEOSSOPVSA-N 439.902 5.209 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)NCC[C@H](c3ccccc3)C(F)(F)F)o2)cc1 490859684 DDFITCTVOGNDEO-HXUWFJFHSA-N 428.410 5.196 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CC[C@H](C(F)(F)F)c4ccccc43)o2)cc1 492018686 FETPKJOHNNJCLJ-IBGZPJMESA-N 426.394 5.427 30 20 IKED C[C@@H](c1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1cc(C#N)ccc1Br 492483500 KULMFQLLIBXAOR-JTQLQIEISA-N 433.154 5.304 30 20 IKED COc1cccc(-c2nc(CSc3ccc(C#N)c(C(F)(F)F)c3)cs2)c1OC 499521850 WSWVUFMQTRKHRF-UHFFFAOYSA-N 436.480 6.010 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl 503305347 ZUAWNOVYWUXHAM-MLGOLLRUSA-N 448.375 5.130 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 504719857 FDPDFKJNBCQZDR-UHFFFAOYSA-N 437.952 5.327 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 505961278 WECHXSCVWADZIQ-IBGZPJMESA-N 446.860 5.215 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](COc3ccccc3)C2)cc1Cl 506361924 FZRTYOLGWMPHKW-CYFREDJKSA-N 445.950 5.928 30 20 IKED CC(C)CN(CC(C)C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 511335688 VXEIIJXSLIFSOZ-NRFANRHFSA-N 425.960 5.075 30 20 IKED COc1ccc(CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C2CC2)cc1 511530855 JEBABRATINXXSH-UHFFFAOYSA-N 440.503 5.016 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)c1ccc(F)c2ncccc12 511740750 LUZVDEAUUVJANG-UHFFFAOYSA-N 433.464 5.147 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)nc2ccccc21 513655462 REAHNJXVKXGOTI-IBGZPJMESA-N 434.524 5.854 30 20 IKED C=CCn1c(S[C@H](C(=O)OC)c2cccc(Cl)c2Cl)nnc1-c1ccoc1C 514101746 ZKAVZXZNBMHHCA-INIZCTEOSA-N 438.336 5.346 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccccc3Oc3cccc(F)c3)CC2)c1 517117658 ONJQNCGOALQZKY-UHFFFAOYSA-N 431.467 5.565 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 518296328 GNCBEAULIIMSGD-UHFFFAOYSA-N 445.910 5.079 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(Cl)cc1Br 518652784 CQNKWGKMKCEQQZ-LBPRGKRZSA-N 439.762 5.514 30 20 IKED COc1ccc2ccccc2c1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1 518766694 CWQSYOKLOHAVER-UHFFFAOYSA-N 438.552 5.942 30 20 IKED CN(Cc1ccccc1N1CCCC1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 519861692 YDUWOQGJGOBDQP-UHFFFAOYSA-N 427.508 5.010 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N(Cc3ccc(Cl)cc3)C3CC3)cc2)c1 520193190 FEVJDPDEYHEOJW-UHFFFAOYSA-N 445.906 5.134 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cnc(-c2ccccn2)s1 520837046 IIVFSOYPONKNMW-UHFFFAOYSA-N 434.468 5.482 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3cccc(C(=O)Nc4ccccn4)c3)c2)c1 522312376 YHFFTXXQAGFGOM-UHFFFAOYSA-N 448.482 5.037 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 522653992 CZTIVXLMYHYVRG-CVEARBPZSA-N 446.523 5.083 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3coc(Br)c3)cc2Cl)c1 524250679 SNTYEOYIFHNJBC-UHFFFAOYSA-N 431.673 5.398 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(N3CCCCCC3)c2)cc1C 525391898 GKEKWUABBCNQQQ-UHFFFAOYSA-N 441.579 5.713 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2cnc(C3CC3)nc2)cc1Cl 533765611 GDASOKVRQIDNIX-OAQYLSRUSA-N 431.927 5.027 30 20 IKED CC(=O)c1ccc(Oc2ccc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2)cc1 534807892 KPKCTYWWRPBFGW-UHFFFAOYSA-N 440.499 5.237 30 20 IKED Cc1cc(NC(=O)c2cc(Cl)ccc2Sc2ccc(Cl)cc2)nn1CCC#N 537149490 RZKAUYBXRCEKTE-UHFFFAOYSA-N 431.348 5.816 30 20 IKED CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N(Cc1ccc(C#N)cc1)C(C)C 539209281 ZFQQTNVSRVUNQF-HRAATJIYSA-N 444.373 5.017 30 20 IKED C=CCN(C(=O)c1cnn(-c2ccccc2OC)c1C)c1nc(-c2ccccc2)cs1 540602897 DJQXQKYMGOFPOK-UHFFFAOYSA-N 430.533 5.146 30 20 IKED O=C(N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)c1cc(O)nc2ccc(F)cc12 541111412 QLPQQRAOMJOSDH-INIZCTEOSA-N 448.294 5.012 30 20 IKED Cc1ccc(C(=O)c2ccccc2C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1 542130655 HNYBIRQEOZPLRF-LJQANCHMSA-N 429.426 5.461 30 20 IKED C[C@H](NC(=O)N1CCC([C@@](C)(O)C(F)(F)F)CC1)c1ccc(-c2cccc(C#N)c2)cc1 545945478 PRQHMXZJWOKZQM-QMHKHESXSA-N 445.485 5.021 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1F)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 549391997 RFALAAQSFPJFIA-MRXNPFEDSA-N 448.338 5.069 30 20 IKED CCNc1ccc(C#N)cc1NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 552104384 CQAWPVWGWWDQAY-UHFFFAOYSA-N 427.533 5.182 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 554878232 ZFMFZRCSGXVNOZ-ZDUSSCGKSA-N 436.459 5.616 30 20 IKED C=CCOc1ccc(CNC(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1 558109950 HAYYEADWTNBCDB-LJQANCHMSA-N 429.520 5.064 30 20 IKED Cc1ccc(SC2(CNC(=O)N3CCC(C#N)(c4ccccn4)CC3)CCCC2)cc1 558653347 UNRPLIOAIIGETR-UHFFFAOYSA-N 434.609 5.062 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(OC2CCCC2)CC1 558981306 ZZQGXFCOALNLSW-GOSISDBHSA-N 445.007 5.576 30 20 IKED C=CCn1c(Sc2ccc([N+](=O)[O-])nc2)nc2sc(-c3ccccc3)c(C)c2c1=O 563652780 VKDFJPINVILCPL-UHFFFAOYSA-N 436.518 5.074 30 20 IKED C=CCn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CCC[C@H]1c1cccc(OC)c1 580743060 QACDKIQDJUMXLD-KMDXXIMOSA-N 430.552 5.059 30 20 IKED Cc1ccncc1[C@@H](C)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 588346811 YWBJOPHOURTTMJ-CYBMUJFWSA-N 445.470 5.211 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)c2)cc1 589829943 AGCZFJOTZLQVQI-AREMUKBSSA-N 448.522 5.825 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)o2)cc1 590388744 QPTUETVMYNHQQS-KRWDZBQOSA-N 433.876 5.483 30 20 IKED N#Cc1c(NC(=O)c2cccc(OCc3cccnc3)c2)sc2c1-c1ccccc1CC2 603992780 YRGJUMQWTRBPFF-UHFFFAOYSA-N 437.524 5.612 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Nc1cccc(OCc2cccc(C#N)c2)c1 604044200 AUXPWKAHASTHFD-QGZVFWFLSA-N 449.938 5.547 30 20 IKED C=CCCCN(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 605677164 PGBAUFBTEMJCKE-AREMUKBSSA-N 439.559 5.087 30 20 IKED COc1cc(CN(C)C(=O)c2cc3ccccc3n2CC#N)ccc1OCc1ccccc1 609160215 PLVFQJJJWAJTCE-UHFFFAOYSA-N 439.515 5.025 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CNc1cccc(C(F)(F)F)c1 609202822 WFZDRRNZUQWMPB-UHFFFAOYSA-N 439.437 5.515 30 20 IKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1cccc(Cl)c1 609387005 FHWQMYZNTCQYMD-LBPRGKRZSA-N 427.879 5.804 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCc2c(Br)cccc2C1 609399367 QGPVNVOXZLQXTE-AWEZNQCLSA-N 430.371 5.291 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NCc3ccc(-n4cnc5ccccc54)cc3)cc2)nc1 609502625 QPYPNADXUCQTHL-UHFFFAOYSA-N 445.482 5.014 30 20 IKED C[S@@](=O)Cc1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)ccc1Cl 609655547 QZOBPKUNFKFKLC-SSEXGKCCSA-N 438.936 5.329 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCCCc2nc3ccccc3[nH]2)c1 609729458 CDMVUEAKXQTWQH-UHFFFAOYSA-N 430.895 5.243 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 609967747 DLBFYYACLAJBDA-UHFFFAOYSA-N 426.442 5.061 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)c(Cl)c1 611094401 IWVGALGULVZOFQ-UHFFFAOYSA-N 437.286 5.344 30 20 IKED COc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1OC(F)F 613320470 ZIBLEPSWCXEJIH-CQSZACIVSA-N 434.851 5.564 30 20 IKED CC(=O)c1cccc(NC(=O)[C@@H](Sc2nc(C)cc(C(F)(F)F)c2C#N)C(C)C)c1 639432456 ZPRZVHIEGGXQIG-SFHVURJKSA-N 435.471 5.239 30 20 IKED C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 669805319 UFPYYSKJKMMIGT-LJQANCHMSA-N 445.592 5.590 30 20 IKED FC(F)(F)c1nc(N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1Br 672179803 JZHNACWMEXGGMQ-BQBZGAKWSA-N 445.123 5.430 30 20 IKED O=C(c1cc2ccccc2cc1OC(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 677753771 IUIUMHSMKPYOFS-CHWSQXEVSA-N 441.318 5.644 30 20 IKED COc1cccc(C(=O)c2ccc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)cc2)c1 682003788 LHDBRIMZHMLLTL-LJQANCHMSA-N 430.460 5.165 30 20 IKED N#C[C@H](C(=O)c1ccc(OCC(F)(F)F)cn1)c1nc2cc(C(F)(F)F)ccc2s1 683689323 AKBZFZGLLQILSW-LLVKDONJSA-N 445.344 5.141 30 20 IKED Cc1cc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)ccc1NC(=O)c1ccco1 728269615 RNEQDDMOYPAMPW-UHFFFAOYSA-N 438.487 5.372 30 20 IKED N#C[C@@H](C(=O)Cc1ccccc1Br)c1nc(-c2ccc(Cl)cc2)cs1 729187118 VEPONONWBWMTLI-HNNXBMFYSA-N 431.742 5.645 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccc(C2SCCCS2)cc1 730990517 YNYILJRIGBRFJO-INIZCTEOSA-N 444.647 5.825 30 20 IKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2C2CCC2)c1 731312210 JMAJDBZBKWAWNZ-OAQYLSRUSA-N 437.565 5.028 30 20 IKED CC(C)(C)c1ccc(C(=O)Nc2ccc(OC(=O)Cc3ccc(OCC#N)cc3)cc2)cc1 731957808 DHRVLXXTLSLWPO-UHFFFAOYSA-N 442.515 5.287 30 20 IKED C[C@@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)C12CC3CC(CC(C3)C1)C2 732398216 AUJZBGJMCXNHBY-LNLRXKMFSA-N 430.504 5.076 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1cc(F)c(Cl)cc1Cl 733079800 KXBKWFVCXYRXMC-UHFFFAOYSA-N 444.219 5.839 30 20 IKED FC(F)(F)c1cc(NN=Cc2ccc(N3CCCCC3)s2)nc(-c2cccnc2)n1 733080112 FCZHZVBRZKAARG-UHFFFAOYSA-N 432.475 5.055 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)OCc2ccc(OCc3cccnc3)cc2)c1 733482707 RQKTWRLCGFCXHK-UHFFFAOYSA-N 440.455 5.061 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)C2(c3cccc(Br)c3)CCCC2)c1 733770990 ODSHCFOXFFMVHP-HXUWFJFHSA-N 441.369 5.258 30 20 IKED C#Cc1cccc(NC(=S)NC[C@H]2CCCN(C)[C@H]2c2ccc(C(F)(F)F)cc2)c1 735417845 JNYSJMBJBBVXLW-NQIIRXRSSA-N 431.527 5.056 30 20 IKED C[C@H](Oc1cccc(Br)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 741904353 XWCCCYOTFVUJQH-AOMKIAJQSA-N 435.321 5.511 30 20 IKED COC(=O)[C@H](Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1Cl 743470182 YHSRAOJRMIAGPH-RBBKRZOGSA-N 425.315 5.975 30 20 IKED CC(C)(CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(Cl)c1 747007100 GLUWAMNDPWSOTN-QHCPKHFHSA-N 445.950 5.028 30 20 IKED N#Cc1cc(COC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@H](F)C(F)(F)F)(C4)C3)ccn1 747080672 WRZFVGWIEBPJSU-PHUAEJTRSA-N 446.391 5.119 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)n1 747193570 JXZNNWMAWCPVGA-GUYCJALGSA-N 436.364 5.054 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccc(F)cc4)n3C)n2)cc1 750400298 PFGWIGWJUZGYHC-IBGZPJMESA-N 431.492 5.453 30 20 IKED CC(=O)N(c1nc(/C=C2/Cc3c(F)cc(F)cc3C2=O)cs1)c1ccc(F)cc1F 751535975 NUAZROVALMDHFC-WCIBSUBMSA-N 432.398 5.207 30 20 IKED Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)c1ccc(C#N)c(Cl)n1 753013027 OGIRDPNLADGERR-UHFFFAOYSA-N 447.901 5.904 30 20 IKED C=C(C)[C@@H](CO)Sc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1 753863060 TVPMDXLQFNZDOI-GOSISDBHSA-N 440.619 5.198 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C 753904015 WYWQMDRKFOPBRE-UHFFFAOYSA-N 448.567 5.546 30 20 IKED N#Cc1cc(F)c(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)c(F)c1 755121327 HKRXCSVKASJVBC-UHFFFAOYSA-N 443.793 5.229 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2cncc(-c3ccc(Cl)cc3)c2)ccc1OC 757656158 NHCFTBNGMSMZNY-OAQYLSRUSA-N 435.911 5.022 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)OCC(=O)Nc1c(C)cccc1Cl 757710932 POFZNMFORSHOIO-UHFFFAOYSA-N 427.806 5.028 30 20 IKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(C2CC(F)(F)C2)C1=O)Nc1ccccc1 757898906 NZQFDWACFCTLHO-QGZVFWFLSA-N 449.910 5.098 30 20 IKED C=C[C@@H](CC(=O)OCc1csc(N(C(C)=O)c2cccc(Cl)c2)n1)c1ccccc1 758910024 DUZKTGKRAFFFSK-KRWDZBQOSA-N 440.952 5.884 30 20 IKED N#C[C@@H](C(=O)/C=C/SCc1ccco1)c1nc(-c2ccc(Cl)cc2Cl)cs1 759835798 VRZRBDHWCSEUJB-ZKKXHLJNSA-N 435.357 6.333 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(C(F)(F)F)ccc1F 761251439 BUORXIUYUCCTFU-LBPRGKRZSA-N 440.418 5.034 30 20 IKED O=C(COC(=O)c1cc(C(F)(F)F)ccc1F)Nc1ccc(Cl)cc1C(F)(F)F 761258886 IATKYYBBMBULBG-UHFFFAOYSA-N 443.702 5.312 30 20 IKED CC(C)n1cc2c(n1)[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)CCC2 765933062 PYJWFGFNWHODQW-DEOSSOPVSA-N 445.542 5.264 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 767761069 ANWHQTYETWNJIZ-WBVHZDCISA-N 433.499 6.121 30 20 IKED Cn1cc([C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2ccc(F)cc2)cn1 775489666 WYBSMLYALSTIFX-JWQCQUIFSA-N 439.494 5.126 30 20 IKED Cn1cc(CNC2CCN(c3ccc(C(C)(C)C)cc3)CC2)c(-c2ccc(C#N)cc2)n1 778077958 ZOWGOBNVESHMNR-UHFFFAOYSA-N 427.596 5.015 30 20 IKED C[C@H](N[C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(-c2cccc(C#N)c2)cc1 782779418 YGZORHZNRVALFF-IRXDYDNUSA-N 440.515 5.633 30 20 IKED COc1ccc2cc(/C=C/C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)ccc2c1 787351957 IUFZJVRPCBLRCL-LFYBBSHMSA-N 439.515 5.083 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@H](C#N)c2cnc3ccccc3n2)cc1 792111531 TZDMNAZOMZRYDK-JOCHJYFZSA-N 446.510 5.596 30 20 IKED COc1cc2c(cc1NC(=O)COC(=O)C[C@@H](CC#N)c1ccccc1)oc1ccccc12 795986708 ASKCTDIVKBDLME-GOSISDBHSA-N 442.471 5.164 30 20 IKED CC(C)N(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(CC(=O)N(C)C)cc1 799449975 DTLRDEVTFXOYPE-UHFFFAOYSA-N 441.531 5.036 30 20 IKED C[C@H](Cc1cncc2ccccc12)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 805856319 XNGOPWCRSUVUCE-QVKFZJNVSA-N 431.948 6.067 30 20 IKED Cc1ccccc1[C@H](O)C1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 806266442 YIYBWINWEMOEKQ-AREMUKBSSA-N 441.531 5.637 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC[C@H](O)c3ccc(C(F)(F)F)cc3)cc2)cc1 807798860 SFBKUENCHKNKRQ-QFIPXVFZSA-N 440.421 5.027 30 20 IKED CCOC(=O)c1ccc(NN=Cc2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1C 812230192 VLWNTZRMGVCEAY-UHFFFAOYSA-N 436.537 5.067 30 20 IKED COCCc1nc(C)c(C(C)=NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 814948765 DMJPNYMUYWCQGU-UHFFFAOYSA-N 425.398 5.514 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3cccs3)C2=O)c1 837547148 QUEOVYUTTQTQDA-NRFANRHFSA-N 449.601 5.525 30 20 IKED Cc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C(C)C)cc1 915087556 VFJVXDOPZMFMDL-LOSJGSFVSA-N 425.532 5.044 30 20 IKED N#Cc1c(F)cccc1N1CCN(C(=O)Nc2ccccc2SCc2ccccc2)CC1 915329911 MLOSXROFPXXQSG-UHFFFAOYSA-N 446.551 5.344 30 20 IKED Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915863007 RDQPFTCEANXDPY-AREMUKBSSA-N 438.506 5.465 30 20 IKED C[C@@H](Sc1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916845912 VRBUKEUWXGPCLA-ABAIWWIYSA-N 443.981 5.286 30 20 IKED C=CCn1c(SC[C@H](O)c2cccc(C(F)(F)F)c2)nnc1-c1ccc(Cl)cc1 916982448 GLEPHSYJXJVQPU-KRWDZBQOSA-N 439.890 5.629 30 20 IKED N#C[C@H](C(=O)c1ccc(N2CCOC2=O)cc1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 917032658 NLZUAOYLMDQUEP-XVPJOVGPSA-N 447.560 5.058 30 20 IKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccsc2)C1=O)Nc1ccccc1 917677270 AERDPSWJWFOVPY-LJQANCHMSA-N 439.537 5.048 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)n1 920328694 UCDKENDTDOSCOE-MRXNPFEDSA-N 442.581 5.170 30 20 IKED COc1ccc(CCCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC 920873176 YMOJQPHFHYOWOQ-QHCPKHFHSA-N 429.520 5.114 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc4ncccc4c3)cc2)CCC1 1786558211 VPFFRZWJRVQVKB-LJQANCHMSA-N 427.548 5.124 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccco4)no3)cc2)CCC1 1788418471 MWQQWQHHNPNHAB-UHFFFAOYSA-N 445.519 5.451 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cccc4cnccc34)cc2)CCC1)C(F)(F)F 1789327776 LBEXXOZRMOCOHP-UHFFFAOYSA-N 439.437 5.101 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(N5CCCC5)c(F)c4)cc3)CCC2)C1 1790062848 FOTPJRLRDLRIDO-UHFFFAOYSA-N 447.554 5.140 30 20 IKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@]4(C)C[C@@H]4C)cc3)CCC2)cc1C#N 1790425172 DADRIIHQDJRNHD-HFJWLAOPSA-N 445.563 5.139 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(OCC4CC4)c(F)c3)cc2)CCC1 1792186898 WWLRAUMDNUWWOB-UHFFFAOYSA-N 448.538 5.166 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@]4(F)CCCC=C4F)cc3)CCC2)cc1 1792380586 WQGOAURPSBAHMM-AREMUKBSSA-N 449.501 5.246 30 20 IKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccccc3)cc2)c1 1803831379 XZEPEGXYWLCGLM-LGKQTMLJSA-N 449.554 5.099 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)Cc3c[nH]c4ccc(C)cc34)CC2)C1 1804859790 MXWXSXQZCKSGRB-UHFFFAOYSA-N 449.639 5.242 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cccnc3s2)[nH]n1 1814828653 CISJHUSTKXHGCK-IBGZPJMESA-N 449.580 5.094 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(C)(C)C)cc2)[nH]n1 1821924404 ATMCDQLHHNWXKF-DYESRHJHSA-N 438.572 5.105 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3sccn3c2)CC1 1823752685 KJLVWTZYHIRNLJ-OAQYLSRUSA-N 441.641 5.227 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)s2)CC1 1825853879 GBELFYUBXKWKNB-MOPGFXCFSA-N 435.033 5.403 30 20 IKED CCC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)CCC1 1830721947 VOHQNXDMGIAPAB-QFIPXVFZSA-N 442.003 5.025 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@]2(F)CCCC=C2F)CC1 1832981830 XKKSBNVHRLQHDX-CPJSRVTESA-N 436.587 5.344 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccccc2Cl)cc1 10827192 DKLIIJVYXKTLDL-UHFFFAOYSA-O 438.016 6.364 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(\S)Nc2ccc(C)c(F)c2)[n+]2ccc(N(C)C)cc2)c1 11083064 BXDPNOMXIVKODX-UHFFFAOYSA-O 436.576 5.155 30 20 IKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2cccc(O)c2)c(Cl)c1 11089469 WBFUFPMHQKDDJE-UHFFFAOYSA-O 446.379 5.654 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1ccc(C)c(C)c1 11160630 CBLZWHDOSFOHFP-UHFFFAOYSA-O 430.018 5.919 30 20 IKED N#CCSc1ccccc1NC(=O)COC(=O)c1sc2cc(F)ccc2c1Cl 22141433 NTJWOLFOQUOLJN-UHFFFAOYSA-N 434.901 5.105 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccccc2)cc1 22693310 CAHPWNJUNMQFOX-UHFFFAOYSA-O 427.549 5.577 30 20 IKED N#Cc1ccsc1NC(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 23441972 KCEXFPDNXYXOOT-UHFFFAOYSA-N 445.451 5.200 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)c1C#N 29805857 OKMQPRRLHSRTBS-UHFFFAOYSA-N 425.517 5.120 30 20 IKED N#Cc1c(NC(=O)c2csc(-c3cc(Br)cs3)n2)sc2c1CCC2 58030167 XFTSNMGYTSQECK-UHFFFAOYSA-N 436.381 5.308 30 20 IKED COc1ccc(COc2cccc(F)c2)cc1N[C@@H](C)C(=O)N(CCC#N)c1ccccc1 63774736 UTSAXHBJTHBJAF-IBGZPJMESA-N 447.510 5.161 30 20 IKED Cc1ccc([C@@H]2CCCN2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1C 64531255 ANGDRCPKXORFNE-FQEVSTJZSA-N 449.605 5.688 30 20 IKED CSc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1 206338733 ZLWLVFWVXYIZQC-POHAHGRESA-N 430.501 5.724 30 20 IKED COc1ccc(CN[C@H](c2ccc(Cl)cc2)c2cccs2)cc1OCCCC#N 237355914 MKTCVSKUEBAXPL-HSZRJFAPSA-N 426.969 5.972 30 20 IKED C=C(C)COc1cc(CN[C@@H](c2ccccc2)c2nc3ccccc3n2C)ccc1OC 237549268 NZUHVXHWWKWFNQ-SANMLTNESA-N 427.548 5.416 30 20 IKED COc1ccc([C@H]2CCCCCN2C(=O)CSc2nc3c(cc2C#N)CCCC3)cc1 302930070 CQVFKYOXYKTGOZ-HSZRJFAPSA-N 435.593 5.077 30 20 IKED C=CCOc1cccc(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)c1 303069670 ZSPIBIYGIMJQBP-VPUSJEBWSA-N 440.543 5.370 30 20 IKED N#CCCCOc1cccc(NC(=O)c2cc(Br)sc2Br)c1 318197000 MVHAMSNMEHNSTH-UHFFFAOYSA-N 444.148 5.208 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)c1 410403089 KNRUQPGFLWKEBG-UHFFFAOYSA-N 434.345 5.063 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cncc(-c4ccc5c(c4)CCO5)c3)n2)cc1 431172943 ZWXKUYSFPWFFMI-QFIPXVFZSA-N 437.524 5.606 30 20 IKED COCCCOc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 431608176 VKHZYQFIKDWEMC-UHFFFAOYSA-N 432.545 5.518 30 20 IKED N#C[C@@H](C(=O)c1ccc2c(ccn2Cc2ccccc2)c1)c1nc(-c2ccncc2)cs1 433146752 MBSMRWRBTFXARP-QFIPXVFZSA-N 434.524 5.698 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCCc4cccnc43)s2)c(C(F)(F)F)c1 435555591 GWXGTEXQWAOGMT-QGZVFWFLSA-N 442.466 5.078 30 20 IKED C[C@@H](NCc1ccc(C#N)cc1Cl)c1nc(-c2ccc(Br)cc2)cs1 439431576 QRBJFGJXPFKAEF-GFCCVEGCSA-N 432.774 5.948 30 20 IKED COc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc(Cl)c1O 442961784 JIPXBZNMMDCFDR-UHFFFAOYSA-N 443.286 5.411 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 460346970 BWQJULIWZHRMSO-HSZRJFAPSA-N 449.463 5.286 30 20 IKED C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC[C@@H]1c1noc(C(C)C)n1 460793655 OQPUJTNHFQMVJI-QGZVFWFLSA-N 446.477 5.388 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1 461673824 LOVDZTALWVFPDQ-CQSZACIVSA-N 426.398 5.122 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccccc1C 461740307 TYTWMTNCGAVXOJ-MRXNPFEDSA-N 426.973 5.521 30 20 IKED N#Cc1ccc(-c2nnc(N3CCC[C@H]3c3ccc(Cl)cc3)n2C[C@H]2CCCCO2)cc1 461868623 MRDGSTSGGAEUGT-PKTZIBPZSA-N 447.970 5.381 30 20 IKED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(OCC(F)(F)F)cc1 469145904 UINRXJZICCLPJN-MRXNPFEDSA-N 431.458 5.384 30 20 IKED Cc1ccccc1[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(C)(C)C 470548223 HWHPXLQQGRCAIA-DEOSSOPVSA-N 432.568 5.487 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 470900347 APKNDIUTYIGVTG-AUUYWEPGSA-N 434.952 5.203 30 20 IKED C=CCN(C(=O)c1ccc(O[C@H](C)c2ccccc2)cc1)c1nc(C(=O)OCC)cs1 472810086 PHAAMWVVYZAKJY-QGZVFWFLSA-N 436.533 5.293 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 472937297 GXUUOCWXDMLGRN-GMAHTHKFSA-N 430.483 5.103 30 20 IKED CCC1(c2ccc(Cl)cc2)CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 475290495 IXZWPHVPKSINBE-UHFFFAOYSA-N 433.987 5.456 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 475549361 LVIABGOYKSJAFM-SFHVURJKSA-N 434.502 5.530 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 475558266 IIQYACCLZWCATD-UHFFFAOYSA-N 439.987 5.111 30 20 IKED C=C(C)[C@@H](NC(=O)N[C@H](c1ccc(Cl)cc1)c1ccn(C)n1)c1ccc(F)c(F)c1 477736223 CYPITEVWHXTARO-NHCUHLMSSA-N 430.886 5.058 30 20 IKED CN(C(=O)c1cc(Oc2cccc(Br)c2)ccn1)c1cc(Cl)ccc1C#N 479561437 DJYOWISSUWGCDL-UHFFFAOYSA-N 442.700 5.438 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](NC(=O)CCCc2ccccc2)C1 482167386 HELFGQBIFAAJDV-DEOSSOPVSA-N 447.623 5.674 30 20 IKED COc1ccccc1-c1cc(NC(=O)CSc2ccc(C#N)cc2)n(-c2ccccc2)n1 482868469 MHQQGGLSDIJMCK-UHFFFAOYSA-N 440.528 5.150 30 20 IKED C=C(C)[C@@H](NC(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21)c1ccc(F)c(F)c1 483303082 LNPBOQDDQGVYAP-OYHNWAKOSA-N 447.913 5.027 30 20 IKED N#CCC[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1Br)c1ccccc1 483413622 HOJDGUOHBOYTRA-OAHLLOKOSA-N 426.236 5.634 30 20 IKED CC(C)CN(C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1)[C@@H](C)c1ccccc1Cl 483446386 LREFRAVSPBYLFJ-IRXDYDNUSA-N 447.988 5.277 30 20 IKED CC(C)c1c(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cnn1-c1ccccc1Cl 485183994 SCIUKNSHVOZIMY-UGKGYDQZSA-N 447.970 5.953 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)Cc3c[nH]c4ccccc34)s2)c(C(F)(F)F)c1 487348466 BOTOWNUOMQAVAY-UHFFFAOYSA-N 440.450 5.287 30 20 IKED Fc1ccc(-n2ccc(CN[C@@H](c3ccccc3OC(F)F)C(F)(F)F)n2)c(F)c1 487938297 HXROYUHPPNKYDR-KRWDZBQOSA-N 433.327 5.145 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(N)c3c(C)c(C)sc3n2)nnc1-c1cccs1 489393482 PCUKNBWQTZTJKP-LBPRGKRZSA-N 428.612 5.250 30 20 IKED Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 490230165 KQLMTMVYGRAALZ-NRFANRHFSA-N 438.314 5.018 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2 494143281 ZVSSNZDUSNMAPK-SDXDJHTJSA-N 435.483 5.837 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)c1ccc(-c2ccccc2OC)cc1 498042348 RTRVSQZFMWHTRN-IBGZPJMESA-N 434.536 5.296 30 20 IKED CCOc1ccc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1OC 499651979 DMUXLILCLHUCIK-UHFFFAOYSA-N 445.519 5.061 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)O[C@@H](C)C2 499846228 ZSDXSEQWEOJLMH-BCRCDCHUSA-N 445.346 5.200 30 20 IKED COc1cccc(Oc2ccc(CNC(=O)c3ccccc3-c3ccccc3C#N)cn2)c1 501348235 OWSMMJVLFQGYAK-UHFFFAOYSA-N 435.483 5.351 30 20 IKED C[C@H]1C[C@@H](C)CN(CCCCNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 502844872 NBGSCNWSLGXLSD-SZPZYZBQSA-N 448.611 5.211 30 20 IKED COc1ccc(S[C@@H](C)C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 512327044 CGVZJJXUBWPRSP-SFHVURJKSA-N 434.536 5.416 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1csc(-c2ccc(Cl)s2)n1 512956696 DTHIPRTYQDZEJM-UHFFFAOYSA-N 429.419 5.997 30 20 IKED Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1 515597240 CQQYTOUMMYSSKR-HXUWFJFHSA-N 436.446 5.618 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(Sc2nc(C)cs2)cc1 515905643 YDIBQWVPAKWPNN-UHFFFAOYSA-N 439.562 5.281 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@H](c3ccccc3)c3nccs3)cc2)cc1 517647667 MOMLDZYCWVLQGG-HSZRJFAPSA-N 425.513 5.521 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc1 518039331 UFUCNDXPLHQVEY-LJQANCHMSA-N 436.508 5.373 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1csc(-c2ccccc2Cl)n1 518663006 XXJWFUXVAXMDAV-AWEZNQCLSA-N 427.982 5.896 30 20 IKED C=CCOc1cccc(NC(=O)c2ccc(OCc3cc(C)on3)c(Br)c2)c1 519157956 RWPMRKFOZCABHS-UHFFFAOYSA-N 443.297 5.142 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2c(F)cccc2F)n1)c1nc2ccccc2n1C(F)F 523958740 DJTFZKBYUDVJPC-JTQLQIEISA-N 430.386 5.323 30 20 IKED CCCCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1 524848081 CYEWPFWKTJEPLH-UHFFFAOYSA-N 448.548 5.096 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 525011830 DTRMQIAVKLTYQL-UHFFFAOYSA-N 436.861 5.125 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(NC(=O)CC(C)C)c(F)c1 525668754 GDBMZLQDNCIXKD-UHFFFAOYSA-N 446.482 5.430 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)NCc2nc(-c3ccncc3)cs2)cc1Cl 534875447 DWTFOHJVVWZTIR-UHFFFAOYSA-N 446.919 5.452 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccn(-c4ccc(Cl)cc4)n3)n2)cc1 535315833 VJBRFJHMDRDUSJ-GOSISDBHSA-N 429.892 5.011 30 20 IKED C=C(C)[C@@H](CC(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C)OCC 535882394 ICBWWXXUMILVJE-HXUWFJFHSA-N 434.458 5.576 30 20 IKED CCCC(=O)Nc1cccc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1C 539129267 QBEXUAFBWQVWIY-UHFFFAOYSA-N 426.520 5.594 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1ccc(F)cc1C(F)(F)F 541115961 VPWCWEFBWUJSFT-UHFFFAOYSA-N 432.295 6.079 30 20 IKED Cc1ccccc1CNc1ccccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 542086696 VJCLMDNRCCRCNM-UHFFFAOYSA-N 434.499 5.918 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)NCc1cc(C#N)ccc1F 543495363 OPDPZYYPHHCEQA-LBPRGKRZSA-N 430.346 5.743 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1cccc(F)c1F)C(F)(F)F 544128118 CEQCJJQDHBJZNY-CWTRNNRKSA-N 443.441 5.191 30 20 IKED CCN([C@@H](c1ccc(C(C)C)cc1)c1cccnc1)S(=O)(=O)CC1(C#N)CCCC1 546769641 SSTCZRBWCRXDDJ-QHCPKHFHSA-N 425.598 5.030 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)c2cc(C#N)cc(N(C)C)c2)nc1-c1ccccc1 550970599 QCAKTEMSPWXRSO-JOCHJYFZSA-N 428.536 5.380 30 20 IKED Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCC4)c3cnn(C(C)C)c3n2)s1 557636151 WAIFVZOONXQSRH-UHFFFAOYSA-N 447.589 5.723 30 20 IKED O=C(Nc1ncc(C(F)(F)F)s1)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 558798335 GSBBNZUTHQPKTB-AWEZNQCLSA-N 427.345 5.283 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ccc(C2CCCCC2)cc1 560221364 QLEDLVZEXCMBDB-SFHVURJKSA-N 435.593 5.383 30 20 IKED COc1ccc(COc2cccc(F)c2)cc1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 564121974 KKLMSQDJPOMZMF-UHFFFAOYSA-N 434.442 5.094 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCC(c2nnc3ccccn23)CC1 568822146 LGMQMXLFWMMTFG-UHFFFAOYSA-N 449.562 5.101 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1 594407053 UCFUDJDCVASXBU-QGZVFWFLSA-N 448.519 5.468 30 20 IKED COc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 603692586 MDCGUXDYPNATOI-DEOSSOPVSA-N 442.519 5.903 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@H](C(=O)c4ccc(F)cc4)C3)c2)cc1 606416091 KYKUOVAMKXMVLB-QHCPKHFHSA-N 442.490 5.011 30 20 IKED N#Cc1cccc(NC(=O)C[S@](=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 608784300 RDLNWTYGZSJTKI-LJAQVGFWSA-N 443.355 5.342 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)cc1Cl 608840723 AYWBUFSZMSSASW-PZUNEJSGSA-N 445.950 6.037 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)cc1 608841070 JPUIRBLJXBFWSA-IZZNHLLZSA-N 441.531 5.373 30 20 IKED CSCc1c(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)oc2ccccc12 609171760 AWKSVQXXYWMUIH-QHCPKHFHSA-N 442.540 5.869 30 20 IKED COc1ccc(-c2nc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cs2)cc1OC 609377480 VSAILMJPTWKWFI-AWEZNQCLSA-N 439.562 5.331 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1coc(-c2cccs2)n1 609388941 MSOAEVGEOTYPAY-CQSZACIVSA-N 429.592 5.527 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(N2c3ccccc3C[C@@H]2C)CC1 609401994 QTULSCKYFTZSMN-OALUTQOASA-N 434.609 5.386 30 20 IKED COc1cc2cc(C(=O)N(Cc3cccc(C#N)c3)c3ccc(F)cc3C)[nH]c2cc1OC 609821545 CZTRQDOUUYWECJ-UHFFFAOYSA-N 443.478 5.351 30 20 IKED CCN(C(=O)N[C@@H](C)c1cccc(C#N)c1)[C@@H]1CCSc2ccc(Br)cc21 610356118 JTEIMQNNIKYYFR-IFXJQAMLSA-N 444.398 5.650 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)cc1 610436736 WECKXQOUUNVMGY-UHFFFAOYSA-N 445.466 5.788 30 20 IKED C=CCN(Cc1ccccc1)C(=O)Cc1csc(-c2cc(Br)cs2)n1 614625333 OVDRYDHUOAMHKN-UHFFFAOYSA-N 433.396 5.391 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1c(F)cccc1Br 674076531 QVSGQXOQLLHRBM-BRPSZJMVSA-N 436.165 5.228 30 20 IKED CC1(C)CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCN1Cc1ccccc1 729552436 GNSPLSFAGIISEJ-AREMUKBSSA-N 438.575 5.470 30 20 IKED N#C[C@H](C(=O)CCSc1ccc(Br)cc1)c1nc2cc(F)ccc2s1 730416291 CIFZWJUHABHTFF-CQSZACIVSA-N 435.343 5.557 30 20 IKED Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c2c1 730494964 DCZUQQDGWXPOEH-UHFFFAOYSA-N 448.526 5.161 30 20 IKED C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(OCC#N)cc1 731961035 JUEZSYJFYBBQPG-GOSISDBHSA-N 438.980 5.506 30 20 IKED Cc1ccsc1CN(C(=O)Cc1ccc(OCC#N)cc1)c1ccc(F)c(Cl)c1 731961626 OVQRDLMMJMCTMC-UHFFFAOYSA-N 428.916 5.527 30 20 IKED C[C@H](OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nnc(-c2cccs2)o1 732377449 MSQMPJWGLLFDJW-HNNXBMFYSA-N 431.473 5.574 30 20 IKED N#C[C@@H]1CN(C(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)CCN1C1CC1 732648333 SOVQGHSZKQKXNB-LJQANCHMSA-N 446.403 5.098 30 20 IKED CC[C@H](C#N)Oc1cccc(CNCc2cn(-c3ccccc3)nc2-c2ccc(C)o2)c1 733800690 DDPBUTDVSBQJKM-HSZRJFAPSA-N 426.520 5.412 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)c1 733804433 DHIWGKKOUJSQAQ-UNMCSNQZSA-N 439.968 5.671 30 20 IKED N#CCOc1ccc(Cl)cc1CSc1nnc(-c2ccccc2)n1Cc1ccco1 735230851 KKIPBWGYWDXCLO-UHFFFAOYSA-N 436.924 5.434 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](C)c2cccc(Cl)c2Cl)ccc1OC 735581576 QBCHEWQFAOZTNB-DZGCQCFKSA-N 436.339 5.243 30 20 IKED Cc1oc(-c2ccccc2F)nc1C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 737502212 SGKQNZDEXYTLDF-QWRGUYRKSA-N 438.343 5.428 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN(CC)[C@@H](CC)c2ccncc2)c1=S 739889161 ZHXCFAOHUJOLMU-FQEVSTJZSA-N 428.005 5.746 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=S)N[C@@H]2CCc3ccccc3C2)cc1 742992609 LIZBGUQPIDPMCG-OAQYLSRUSA-N 429.545 5.203 30 20 IKED C#CCN(Cc1ccc(F)cc1)C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 743679005 FHKOYCXGEFGVNC-XMMPIXPASA-N 448.925 5.002 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1NC(=O)OC(C)(C)C 744032968 PSBXNAYNQPEWIN-OAHLLOKOSA-N 445.878 5.096 30 20 IKED C[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1C(F)(F)F 744062197 SEXAJURTTXEDKV-KBXCAEBGSA-N 439.462 6.071 30 20 IKED C=CCc1cc(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)cc(OC)c1OC 745789792 QAYJEFZSIDDOJF-UHFFFAOYSA-N 438.568 5.182 30 20 IKED COc1ccc(-c2cc3[nH]c(/C(Cl)=C/c4cc(C#N)cs4)nc(=O)c3s2)cc1 748440416 KRQYXQYLKDUYSY-CHHVJCJISA-N 425.922 5.330 30 20 IKED CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)Nc1ccccc1S[C@@H](C)CC#N 751549210 VLGZZFSQXOBATC-LAUBAEHRSA-N 429.561 5.443 30 20 IKED CN(C(=O)c1ccccc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)C1CCCCC1 752647969 IRMLAZVTQDFHBN-ILBGXUMGSA-N 444.579 5.395 30 20 IKED C[C@@](O)(C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)c1cccc(C(F)(F)F)c1 754851086 QQJUSZBQTRTCDP-QHCPKHFHSA-N 440.421 5.002 30 20 IKED C[C@@H](NC(=O)c1ccc(-c2nnc(S)o2)cc1)c1ccc(-c2cccc(C#N)c2)cc1 760029121 ADOSGAXIOHTUPF-OAHLLOKOSA-N 426.501 5.055 30 20 IKED N#C[C@H]1C(CN2CCc3ccccc3[C@H]2Cc2ccccc2)=CC(=O)n2c1nc1ccccc12 761765058 HBVCENFRVXOIDP-RPLLCQBOSA-N 444.538 5.066 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)cc1 775487556 KJOXXVVGQCDTKK-VWNXMTODSA-N 449.913 5.740 30 20 IKED C#CC[C@@H](NC(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccccc1 788817718 IGXWKEKKAXVVJX-DHIUTWEWSA-N 448.364 5.192 30 20 IKED CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc(Br)cc2C(F)(F)F)c1 790671017 FODJCDJYQAQGBV-BBRMVZONSA-N 441.291 6.000 30 20 IKED C=CCn1c(-c2cccc(C)c2)nn(CN2CCC(OCc3ccccc3)CC2)c1=S 798219904 PYSWUZIWCNWIMJ-UHFFFAOYSA-N 434.609 5.214 30 20 IKED N#CC1(CCCOC(=O)Cc2cccc(OCc3ccccc3Cl)c2)CCOCC1 800167173 BVOWODCQIARXIN-UHFFFAOYSA-N 427.928 5.105 30 20 IKED C[C@H](CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H](C)CO)c1ccccc1 806200571 HHMIQGJFNPHZBB-YZIHRLCOSA-N 427.548 5.360 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])cn2)c1 812905686 IFYUVXPKXBXAFA-UHFFFAOYSA-N 429.219 5.213 30 20 IKED CN(CC(C)(C)C#N)C(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1 817611243 FTGQXPRFDKQMGP-UHFFFAOYSA-N 427.504 5.353 30 20 IKED CC(C)(C)OC(=O)NCCc1noc(-c2cccc(Oc3ccc(Cl)cc3C#N)c2)n1 904765430 HWGKMSNNGBDSJG-UHFFFAOYSA-N 440.887 5.121 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CCCCC#N)c1nc(-c2ccc(C(F)(F)F)s2)no1 904964379 KJEZCKKLGPLHEU-NSHDSACASA-N 430.452 5.467 30 20 IKED O=C1/C(=C\c2cccs2)CN(C(=O)c2ccccc2Cl)C/C1=C/c1cccs1 915990673 UPQDPLHCYCAXNO-NFLUSIDLSA-N 425.962 5.655 30 20 IKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cnn1-c1ccc(Cl)cc1 916928969 ZIHUIDAOKFOSDE-HNNXBMFYSA-N 447.709 5.102 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnn(Cc3ccccc3Cl)c2)cc1 916956032 XHFDIJSVOVHWMH-KKSFZXQISA-N 434.927 5.059 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2cc(C)c3cc(Cl)ccc3n2)cs1 917542900 XLQZVEZZPDCLSP-UHFFFAOYSA-N 449.967 6.092 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(OC(F)F)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F 921261633 JCDWPDLUNDVEDU-QPJJXVBHSA-N 447.312 5.042 30 20 IKED CCCN(Cc1nc(O)c2sccc2n1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 1318254731 RGHXQVOIIFEQRB-UHFFFAOYSA-N 444.516 5.113 30 20 IKED CSc1nc(O)c(C(=O)N(Cc2ccc(-c3cccc(F)c3)s2)C(C)C)cc1C#N 1434898322 AQNVSUJOWVHPCY-UHFFFAOYSA-N 441.553 5.299 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3sccc3Cl)cc2)CCC1 1789897601 MUBFPGCHMBUDQE-UHFFFAOYSA-N 432.973 5.132 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(N5CCCCC5)cc4)cc3)CCC2)C1 1790678699 VBAILAPWNDLJDG-UHFFFAOYSA-N 443.591 5.391 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CCCCCC(=O)OC)cc2)CCC1 1791659238 VONLTMJLLGHXAO-UHFFFAOYSA-N 440.584 5.012 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@]4(C)CC4(F)F)cc3)CCC2)c1 1792248276 PTQXLIBUFZTMSZ-HJPURHCSSA-N 437.490 5.107 30 20 IKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3ccc(Cl)cc3)o1)C2 1802627771 WHCNNDXMNJCSFC-WKCHPHFGSA-N 438.955 5.045 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2ccc(C)cc2)[C@@H]1c1cccnc1 1812745067 PLOOOQTVEBCWIP-AHWVRZQESA-N 447.623 5.021 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2c(C)cc(C)cc2C)[C@@H]1c1cccnc1 1813787330 OXSNWKYANFNSNI-GSLIJJQTSA-N 445.607 5.095 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2F)[nH]n1 1819307842 OQKHKSOBLYARQI-JTSKRJEESA-N 449.530 5.104 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(C)C)on2)CC1 1823750465 MEJGAMPHZOLVRT-NRFANRHFSA-N 429.605 5.024 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C23CCC(CC2)CC3)CC1 1824145412 YRDFEXDAQDCDQO-DSYMUFTKSA-N 426.645 5.345 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2OCC)CC1 1830606688 UCRZCUFDBGIPIT-PGRDOPGGSA-N 447.019 5.184 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2C)nc2scc(-c3ccccc3)c2c1=O 9041556 YAUUMHVWRVCKBH-UHFFFAOYSA-N 447.585 5.350 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(SC)cc2)nc2cc(Cl)ccc2c1=O 21831601 UYSOZJQWXUUKOR-CYBMUJFWSA-N 445.997 5.077 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H](C)c2ccc3c(c2)OCCO3)cc1OCC 22774704 GKSQMZQIOFGHNU-HNNXBMFYSA-N 448.357 5.035 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(CC)cccc2CC)nnc1-c1ccc(F)cc1 24014738 HXPZWFBGIPHKMX-INIZCTEOSA-N 438.572 5.514 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1 60477216 LPYQFVUQGPPOLS-SFHVURJKSA-N 448.931 6.027 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1 60477227 YXFHAUKJQMXLHT-IBGZPJMESA-N 425.538 5.950 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H](C)c2ccc(OC(C)C)cc2)cc1OC 61079043 FYPPDFUOYSGTHY-INIZCTEOSA-N 434.374 5.661 30 20 IKED CC1CCN(Cc2csc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)n2)CC1 72020802 YKRGIYYNLZLQAW-UHFFFAOYSA-N 446.576 5.078 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 72025227 SCAPZRDYORXNOV-UHFFFAOYSA-N 442.475 5.420 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCSc1ccc(Cl)cc1 117217905 CPLRVWJQSOSAJI-UHFFFAOYSA-N 437.952 6.218 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2cnn(C(C)C)c2n1 195556921 TZRLGJLMHZBQQM-KRWDZBQOSA-N 435.940 5.588 30 20 IKED CC(C)c1c(C(=O)[C@@H](C#N)c2nc3ccccc3o2)cnn1-c1ccc(C(F)(F)F)cn1 195557142 KDLUQSRMPUWHGQ-CQSZACIVSA-N 439.397 5.041 30 20 IKED N#CCCn1cc(CNCc2cccc(NC(=O)C3CCCCC3)c2)c(-c2ccccc2)n1 238138613 NMNFHNXAINGSTF-UHFFFAOYSA-N 441.579 5.272 30 20 IKED Cc1cc(Br)ccc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 255941774 WGXROUIJGHZCAP-UHFFFAOYSA-N 437.362 6.174 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(-c3ccco3)nc2C)cc1 303085890 BFGXCWAOIDJCFU-UHFFFAOYSA-N 425.444 5.575 30 20 IKED COc1ccc(-c2ccc(C(=O)N3CCC(C(F)(F)F)(C(F)(F)F)C3)c(F)c2)cc1 303669397 JEWCNSKMYJILBV-UHFFFAOYSA-N 435.339 5.458 30 20 IKED COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1cccc(SCC#N)c1 429783397 HQQGFUVLHUYGBY-SFHVURJKSA-N 431.355 5.051 30 20 IKED COc1ccc(CN2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)cc1OCCCC#N 430107264 RSIKSLGLZHLRMK-SBUREZEXSA-N 448.485 5.359 30 20 IKED Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 430528380 XVHVIBZKMOWCES-GFCCVEGCSA-N 440.208 5.861 30 20 IKED CCNC(=O)Nc1cccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C 433756021 JKSINCOEBVYYLX-GOSISDBHSA-N 441.535 5.558 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H](CN2CCCC[C@H]2C)C1 437846622 YBZALRALXTZURZ-GGAORHGYSA-N 446.595 5.777 30 20 IKED CN1CCC[C@H](CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@@H]1c1cccs1 438032217 WHOREQSYFDPLCX-NTKDMRAZSA-N 446.576 5.617 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@@H](c3ccccc3F)C2)cc1F 438655301 LOFQYQFDQLHBAV-HSZRJFAPSA-N 435.430 5.234 30 20 IKED CCCc1c(NC(=O)Nc2c(C)cccc2OC(F)F)cnn1-c1cccc(C#N)c1 439221933 IOGSTRLDAFZVPI-UHFFFAOYSA-N 425.439 5.250 30 20 IKED CC(C)c1cccc(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 446510139 ICSFAMKKWHJVEQ-UHFFFAOYSA-N 435.471 5.412 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1 448378546 ZOGNTHKDOADCLJ-NTKDMRAZSA-N 427.573 6.270 30 20 IKED N#Cc1ccc(F)c(CNC(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)c1 465718368 GPKIWZFOERZNQM-OAQYLSRUSA-N 438.300 5.049 30 20 IKED COc1ccc(-n2c(SCCCSCC#N)nnc2-c2ccc(Cl)cc2)cc1 466613706 ITXFCWQELYMLIN-UHFFFAOYSA-N 430.986 5.335 30 20 IKED CN(Cc1cc(Br)cn1C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 467909874 LXBFYZJWYAKNSG-UHFFFAOYSA-N 439.313 5.115 30 20 IKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N1CCC[C@@]2(CCCCO2)[C@H]1C#N 468114480 YLQZTJBXXHJURX-NAKRPHOHSA-N 439.559 5.207 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@@H](c3ccc(Br)cc3)C3CC3)ccc21 468891150 HGIAIZQRAWKWAK-HSZRJFAPSA-N 438.369 5.595 30 20 IKED CCC1(CC)CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC[S@@]1=O 469667910 VAYTYPOIIDNXAR-PMERELPUSA-N 445.972 5.159 30 20 IKED N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)cc1 470837502 WAIHSAYMUWYHJN-MRXNPFEDSA-N 437.286 5.373 30 20 IKED C=CCN(C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)c1nc2c(s1)CCCC2 471108234 XGMNZHHVQKLNCW-UHFFFAOYSA-N 432.471 5.059 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN(CCc1ccccc1)c1ccc(O)cc1 471175628 DUUAKTFFWULUGG-FQEVSTJZSA-N 445.588 5.332 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4nc(C(C)C)cs4)cc3)o2)cc1 474430428 IANGJRZEXADTRR-IBGZPJMESA-N 428.517 5.782 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 475559513 PIRWVHNDBIAVKL-FQEVSTJZSA-N 448.542 6.139 30 20 IKED CCSc1cccc(Br)c1NC(=O)c1cc(-c2cccc(C#N)c2)no1 484886284 LBRIFSOIKZXGPP-UHFFFAOYSA-N 428.311 5.340 30 20 IKED CC(C)c1cc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)nn1C(C)(C)C 488015391 QNBCENMTXPSHJD-UHFFFAOYSA-N 432.543 5.615 30 20 IKED C=CCn1c(SCc2cccc(C(=O)N3CCCCC3)c2)nnc1-c1ccc(C)cc1 489633118 LUJNWGDOHUKYHU-UHFFFAOYSA-N 432.593 5.358 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCc3ccc(F)c(F)c3C2)cc1 494238737 SRSYKLGCFNIJAC-UHFFFAOYSA-N 433.458 5.200 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(Cl)ccc3OC[C@@H]3CCOC3)cc2)nc1 494767524 KWIOJPCLKYUGDO-QGZVFWFLSA-N 449.894 5.067 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@@H](C#N)c3cccc(Br)c3)cc2)cc1 496227883 WCHZLQAVFMNIGH-QFIPXVFZSA-N 446.304 5.302 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(OC(F)F)c1 502679460 NDAQYCRATRWZIE-UHFFFAOYSA-N 429.236 5.410 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(-n3cccn3)cc2)cc1Cl 503337579 CICGNJOFZFQHBT-QHCPKHFHSA-N 441.922 5.503 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 505649484 ZYNVFVJPEHVFJX-UHFFFAOYSA-N 441.531 5.210 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)c2cccc(NC(C)=O)c2)cc1 508282719 VQMMZBGJLVWSEG-MRXNPFEDSA-N 444.491 5.200 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)[C@H](C#N)c3ccccn3)cc12 509526682 UEYUPZMAWMSURA-MRXNPFEDSA-N 441.343 5.646 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCc1csc(COc2ccc(C)cc2)n1 512026029 JTONGEUNEDHUIF-UHFFFAOYSA-N 448.617 5.691 30 20 IKED Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(N[C@@H](C)c3ccc(C#N)cc3F)cc2Cl)n1 512295335 LFVDCTGBAIVIBF-HOTGVXAUSA-N 439.922 5.537 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)c1nc(O)c2c3c(sc2n1)C[C@H](C)CC3 512512746 ZKIPCUCYTAMFAT-IAGOWNOFSA-N 439.629 5.438 30 20 IKED C[C@H](Oc1ccccc1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1ccccc1 512935823 MGSZQYIBDCOLGU-IBGZPJMESA-N 443.522 5.692 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C 515158781 MFEXLNSGZUMKKS-UHFFFAOYSA-N 443.894 5.454 30 20 IKED CCOc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cs2)cc1 515539294 SNOUTYUCZZITEX-OAHLLOKOSA-N 439.949 5.962 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F 518147965 KICBAMZFBWLFMX-LBPRGKRZSA-N 447.898 5.362 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 518177786 XHPZTXPVOBPJIS-HSZRJFAPSA-N 428.492 5.244 30 20 IKED N#C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Cl)c(Cl)c1 521015335 YBPROSPCMGKDLS-OAHLLOKOSA-N 433.276 5.020 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NCc3cccc(CN4CCCC4)c3)cc2)cc1 521115767 DGELPYZNOBAKJY-UHFFFAOYSA-N 425.532 5.071 30 20 IKED COc1cc(Cl)c(S(=O)(=O)Nc2ccccc2S[C@H](C)CC#N)cc1Cl 521328054 GDLIODGFKGRUKI-LLVKDONJSA-N 431.366 5.197 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N[C@@H](c3ccccc3)c3nccs3)c2)c1 522303603 MMUUNHYRJRDROS-QHCPKHFHSA-N 425.513 5.113 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3Cc4ccccc4-c4ccccc4C3)s2)cc1 522422166 SIVMAVMTGBHWLG-UHFFFAOYSA-N 436.540 5.820 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 522605689 MJBAGRAQEUHHKT-SSEXGKCCSA-N 425.598 5.296 30 20 IKED Cc1nc(-c2ccccc2)sc1CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 524070866 GHPRPXMKLJQOEK-UHFFFAOYSA-N 445.573 5.359 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccc(F)c(F)c4)C3)cc2)cc1 524305305 FNRCZBXSEYFCRS-QHCPKHFHSA-N 435.430 5.234 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 524439368 UQZXLWWVXVPODV-IZZNHLLZSA-N 441.531 5.488 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H](C)c1ccccc1Br 533567901 SGNOBOGIFBIAHG-LSDHHAIUSA-N 432.387 6.068 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 537295681 NKKPEPGRJCITSG-UONOGXRCSA-N 426.383 6.165 30 20 IKED CCN(C(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)c1ccc(C#N)c(Cl)c1 539174894 QHAAUTRPGRYTRH-UHFFFAOYSA-N 443.732 5.135 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C2CC2)cc1 541472893 WHLCRGUUMCYNAD-UHFFFAOYSA-N 426.451 5.558 30 20 IKED N#CCCn1cc(CNc2ncc(Cc3ccc(F)c(F)c3)s2)c(-c2ccccc2)n1 542754298 RGMZVUCYCLNNDT-UHFFFAOYSA-N 435.503 5.401 30 20 IKED Cc1nc(C(F)(F)F)c(CSCC(=O)Nc2ccccc2SC[C@H](C)C#N)s1 544699167 XVAMFPGCXSAWCZ-LLVKDONJSA-N 445.557 5.594 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 557455366 VRRZGOFXGWJWNO-HXUWFJFHSA-N 440.478 5.135 30 20 IKED Cc1ccc(CN(CCc2ccccc2)C(=O)c2cnc(C(F)(F)F)c(C#N)c2)s1 558931445 CBCPUKJCRQGQCE-UHFFFAOYSA-N 429.467 5.227 30 20 IKED N#Cc1cc(Br)ccc1CN[C@@H](c1ccccc1OC(F)F)C(F)(F)F 561854918 PTKHKUCIPBJEJS-HNNXBMFYSA-N 435.190 5.315 30 20 IKED O=C(N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)C1CCC(OC(F)F)CC1 565368305 LKIBHEFIWZTLCK-GCZXYKMCSA-N 435.311 5.103 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(Cc1ccco1)Cc1cccs1 569157611 XDQVQICLJATPMK-GOTSBHOMSA-N 446.576 5.571 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)sc1-c1ccc(F)cc1 588349024 OSWMYBXVCZPYEI-OAHLLOKOSA-N 425.435 6.098 30 20 IKED N#Cc1cccnc1Oc1ccccc1NCC(=O)N[C@H](c1ccccc1)c1cccs1 604007622 IGLSRHAVNDONBZ-XMMPIXPASA-N 440.528 5.125 30 20 IKED Cc1ccc(-c2noc([C@H](C)Nc3cccc(OCc4cccc(C#N)c4)c3)n2)cc1F 604044259 IAWBLERJWVUKMS-KRWDZBQOSA-N 428.467 5.808 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4nc5cccc(C)c5[nH]4)cc3)o2)cc1 605363237 QAYYMIMNOUKVEF-FQEVSTJZSA-N 433.471 5.387 30 20 IKED O=C(Nc1ccc(F)cc1OC(F)F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 608330864 RHYYTVNUBKPXBN-HTQZYQBOSA-N 438.290 5.458 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCc4c(ccc(Cl)c4Cl)C3)cn2)cc1 608791004 HCUBHVMSSZTIGN-UHFFFAOYSA-N 439.302 5.643 30 20 IKED Cc1cc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)ccc1Oc1cccnc1 609059209 ZHEDWOSTNKLTKM-UHFFFAOYSA-N 425.444 5.478 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@H](c4ccc(Cl)cc4)C3)c2)cc1 609553979 OWSUXLXJBGLPIM-QFIPXVFZSA-N 445.950 6.006 30 20 IKED Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)C1CCC(C)CC1 609579196 ZXBQRDPAELJXHH-BPOAOHNVSA-N 447.579 5.300 30 20 IKED COc1ccccc1-c1nnc(S[C@H](C#N)C2CCCCC2)n1CCc1ccccc1 609648594 SPAAVTCEGIQNCJ-HSZRJFAPSA-N 432.593 5.761 30 20 IKED Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 609912772 OGPIBHAHIJXSCT-QHCPKHFHSA-N 445.588 5.184 30 20 IKED CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609940111 OBNNBLXLYUXIDT-UHFFFAOYSA-N 439.924 5.053 30 20 IKED C=CCN(C(=O)C[C@H](C)c1ccccc1C(F)(F)F)c1nc(C(=O)OCC)cs1 610172753 BFQYNIXDIMHKCG-ZDUSSCGKSA-N 426.460 5.051 30 20 IKED Cc1cc(C)c(Nc2nnc(SCC(=O)Nc3sccc3C#N)s2)c(Cl)c1 611192165 OATDWINPUFQVRJ-UHFFFAOYSA-N 435.987 5.216 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 615969746 NREGGZQQOPNRGA-QFIPXVFZSA-N 430.523 5.046 30 20 IKED N#C[C@H](C(=O)c1cnc2c(cnn2Cc2ccccc2)c1)c1nc(-c2ccccc2)cs1 642281586 LMJXEUPXUOTMIM-OAQYLSRUSA-N 435.512 5.093 30 20 IKED Cc1c(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc(C(F)(F)F)c1F 682372999 DPSRNFJAOFMFGW-RKDXNWHRSA-N 425.266 5.356 30 20 IKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(C2CC2)C1=O 726421386 QEOHOSBYKVOSCG-UCSUXRFJSA-N 448.013 5.262 30 20 IKED N#Cc1cccc(COc2ccc(NC(=S)Nc3ccc4ccccc4c3)cc2F)c1 728175254 NNVTWEQZWZCZHV-UHFFFAOYSA-N 427.504 6.238 30 20 IKED O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1csc(C(=O)O)c1 730150896 YPQSHJDHODHENJ-QPJJXVBHSA-N 446.311 5.902 30 20 IKED Cc1ccc(-n2nc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)c3c2CCC3)c(C)c1 730395408 FDBRIOJYVCDSIN-QFIPXVFZSA-N 448.526 5.092 30 20 IKED Cn1c(C(=O)N(CCC#N)c2ccc(F)cc2)ccc1-c1ccccc1Br 732094002 MSFBXIHZYVMVRM-UHFFFAOYSA-N 426.289 5.154 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCc1ccc(OCC#N)cc1 733465642 MYKZUXLUHQGSJN-OAHLLOKOSA-N 442.924 5.262 30 20 IKED C#CCN(C(=O)Nc1c(CC)cccc1CC)[C@H]1CCOc2ccc(Br)cc21 733615147 UHITXSRJCZXJAD-FQEVSTJZSA-N 441.369 5.565 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2Oc2cccc(F)c2)ccc1OC 733625445 BGIXYYBNWDHKDO-LJQANCHMSA-N 449.482 5.629 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(C)c(Oc2ccncc2)c1 734705488 JIXDJBCLCLSWTF-SFHVURJKSA-N 449.894 5.114 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cccc(N3CCCCCC3)c2)ccc1OC 741071520 COHNMFYZWSWZEF-JOCHJYFZSA-N 436.556 5.078 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 741639637 IRNPDVYIPOBKKI-UHFFFAOYSA-N 436.508 5.113 30 20 IKED C#CCOc1ccc(F)cc1NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl 741641056 BNRSXHROWBEKTM-UHFFFAOYSA-N 427.806 5.977 30 20 IKED Cc1c(C(=O)/C=C\c2cn(C)nc2-c2cc3ccccc3o2)cnn1-c1ccc(C#N)cc1 741843436 GEAYQXFBKXCSHH-XFXZXTDPSA-N 433.471 5.095 30 20 IKED Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1cnccc1C 741893483 NHTONULOOICZOG-OAQYLSRUSA-N 432.505 5.225 30 20 IKED CC(=O)CCc1ccc(O[C@@H](C)C(=O)N2CCSC2=Nc2cccc(Cl)c2C)cc1 745042739 GHMJKBVLLATXDH-KRWDZBQOSA-N 444.984 5.200 30 20 IKED C=CCn1c(Cc2ccccc2)nn(CN(Cc2ccc(C#N)cc2)CC(C)C)c1=S 746055676 AINQHPBFHDJMPA-UHFFFAOYSA-N 431.609 5.178 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)c(SC)cc1OC 749004763 GUJBPVSQEKENRT-RAXLEYEMSA-N 446.590 5.038 30 20 IKED CC(=O)Nc1ccc(C2=NNC(=Nc3cc(C(F)(F)F)ccc3Cl)SC2)cc1 749963092 IFXLGDRVUCXXMA-UHFFFAOYSA-N 426.851 5.045 30 20 IKED CC(=NNc1nc(C(F)(F)F)cs1)c1ccc(OCC(=O)Nc2ccccc2C)cc1 755906295 XOPYPNHLUMXPDP-UHFFFAOYSA-N 448.470 5.324 30 20 IKED CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 758411475 ZJSUMCHPKJVBRE-CVDCTZTESA-N 433.552 5.318 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)[C@H](Sc1ccccc1Cl)c1ccccc1 760801946 VNLGAQQZUGFYCG-OAQYLSRUSA-N 426.900 5.854 30 20 IKED COC(=O)C1C/C(=C/c2nccc3ccccc23)C(=O)/C(=C\c2nccc3ccccc23)C1 761484893 BVESIIWRQPXTPS-ISPAOBMBSA-N 434.495 5.402 30 20 IKED CC(C)OCCCn1c(NN=Cc2csc(Cl)c2Cl)nc2ccccc2c1=O 761776633 CZQNKUPYRFEEJH-UHFFFAOYSA-N 439.368 5.026 30 20 IKED N#Cc1ccc(/C(O)=C(/C(=S)Nc2ccccc2-c2ccccc2)[n+]2ccccc2)cc1 762439909 IAXDMHPJZMRILL-UHFFFAOYSA-O 434.544 5.836 30 20 IKED COc1ccccc1OC[C@@H](C)CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 763933040 XMTDOZVNZBJEJQ-WMZHIEFXSA-N 429.520 5.187 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c1 772619210 HYEYAMROGPFJDC-RDTXWAMCSA-N 443.828 5.263 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CC=C(c3ccc(Cl)nc3)CC2)c1 773836354 GSAYQISNCXMIEH-UHFFFAOYSA-N 429.907 5.115 30 20 IKED Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12 778299549 XUNQRZMFUPLUHI-QGZVFWFLSA-N 447.466 5.511 30 20 IKED C[C@@H](NC(=O)C(C)(C)[C@H](O)c1ccc(OCc2ccccc2)cc1)c1ccc(C#N)cc1 778576391 JRLBNXKIANIZFW-KBMIEXCESA-N 428.532 5.074 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)c1 778731297 BLICDSOGDOHBPP-UHFFFAOYSA-N 437.446 5.251 30 20 IKED COc1ccc(COc2cccc(F)c2)cc1NC(=O)Nc1ccccc1O[C@H](C)C#N 780534742 RATDPTNGAXELJZ-MRXNPFEDSA-N 435.455 5.348 30 20 IKED N#CCC1CCN(C(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)CC1 782055501 LQHXPHZAWHKLDG-UHFFFAOYSA-N 434.337 5.430 30 20 IKED CCOC(=O)N1C/C(=C/c2ccc3cnccc3c2)C(=O)/C(=C/c2ccc3cnccc3c2)C1 782303131 VZFAHOBIWLBQDA-KGRJIBJCSA-N 449.510 5.291 30 20 IKED CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 782708157 FZWQMWYGPVUAIN-SANMLTNESA-N 426.564 5.851 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H](C)c1ccc(SC(F)(F)F)cc1 784108430 TURLCBMHUPROGR-HNNXBMFYSA-N 425.476 5.263 30 20 IKED Cc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1Br 784498891 LXHNTYFFWXXBPZ-QGZVFWFLSA-N 436.334 5.172 30 20 IKED N#C[C@@H](C(=O)NCc1ccc(F)c(F)c1)C(=O)c1sc2cc(Cl)ccc2c1Cl 786572542 WRKLLEIBNHFYRU-GFCCVEGCSA-N 439.270 5.125 30 20 IKED C=CCOc1ccc(OC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 786953444 KKCAQRCFFTVNTI-UHFFFAOYSA-N 433.291 5.537 30 20 IKED Cc1nc(CC(C)C)sc1C(=O)[C@@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 787050078 OHKMDUGZDICSOJ-IAQYHMDHSA-N 438.380 5.157 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)c1ccc([C@H]2CCCOC2)cc1)c1ccc(Cl)cc1Cl 787053013 PHQAHOGMNVBSPE-VHFSOBRXSA-N 445.346 5.087 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 787254434 XMGYVNNDVIRHPE-ZDUSSCGKSA-N 445.306 5.296 30 20 IKED Cn1c(CSc2nc3ccccc3s2)nnc1SCc1ccc(C#N)c(F)c1 790232059 XJJJAOXVPHSPLF-UHFFFAOYSA-N 427.555 5.020 30 20 IKED C#CCOc1cccc(NC(=O)N2CCC(c3nc(-c4ccccc4OC)cs3)CC2)c1 792297800 VFXNARMSBQERSS-UHFFFAOYSA-N 447.560 5.242 30 20 IKED N#C[C@@H](C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)c1nc2ccccc2n1C(F)F 796653125 XSXYFLHKECKHJA-ZNMIVQPWSA-N 435.352 5.310 30 20 IKED Cc1ccc(C(=O)N(C)c2ccc(OC(=O)C(C)(C)c3cc(F)cc(C#N)c3)cc2)cc1 796809004 DQUYKIMRUUNZKQ-UHFFFAOYSA-N 430.479 5.166 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 797569137 AWXPGMQUSBHQAJ-BRWVUGGUSA-N 433.618 5.290 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)OCCCC3(C#N)CCOCC3)cc12 800097390 VLYLPWOIQWOFEF-UHFFFAOYSA-N 443.956 5.306 30 20 IKED N#CC1(CCCOC(=O)c2cc3sc(Nc4ccccc4)nc3s2)CCOCC1 800105472 QMRWOLCPHXSOLZ-UHFFFAOYSA-N 427.551 5.359 30 20 IKED N#C[C@H](C(=O)C1CCN(Cc2ccccc2)CC1)c1nc(-c2c(F)cccc2F)cs1 805868094 XWWWHJNMRVIHAI-GOSISDBHSA-N 437.515 5.177 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)s1 810460561 SGKAQLCDGSPKJY-ROUUACIJSA-N 425.554 5.031 30 20 IKED CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813213811 QGBIJTHMJSLZSK-YESZJQIVSA-N 439.478 5.140 30 20 IKED CC(C)(C)OC(=O)NCC1(CC(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)CCCCC1 813217990 LAOWJXBCYGKHBZ-MRXNPFEDSA-N 439.478 5.142 30 20 IKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2cc3c(Cl)cccc3s2)nc1C 899896646 LVMFUCHCJGZLNC-UHFFFAOYSA-N 447.998 5.305 30 20 IKED N#Cc1cc(Br)ccc1Cc1nc(-c2cccnc2Oc2ccccc2)no1 904455206 WDOMDYVHXUXOFF-UHFFFAOYSA-N 433.265 5.149 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc(OC)c1OC 915359045 JUDKAIXIXDHQTJ-HTAPYJJXSA-N 445.519 5.251 30 20 IKED CC[C@@H](C)c1ccc(N=C2NC(=O)[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)S2)cc1 916232725 PGKTVMJNXVOIJB-FZKQIMNGSA-N 449.498 5.467 30 20 IKED COc1cc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)cc(Cl)c1OC 916333798 VQDPSVYQAWQYCH-UHFFFAOYSA-N 443.743 5.093 30 20 IKED CCCCCCn1nc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)c2ccccc2c1=O 916627128 XSRLKCRJVLSWTE-GOSISDBHSA-N 430.533 5.077 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(OCc3csc(C)n3)c2)cc1 916914879 XHQNEVFZTQUWSK-QHCPKHFHSA-N 447.560 5.334 30 20 IKED Cc1ccc(NC(=O)[C@H](OC(=O)CSCc2ccc(C#N)cc2)c2ccccc2)cc1 917261740 ATRPOYTVLCJIRZ-XMMPIXPASA-N 430.529 5.023 30 20 IKED C=CCN(Cc1ccccc1F)Cn1nc(-c2cccnc2)n(-c2ccccc2C)c1=S 918182440 REFARGBROANMNB-UHFFFAOYSA-N 445.567 5.559 30 20 IKED CON=Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 918612301 JSVYGSFZWQPJHO-UHFFFAOYSA-N 437.418 5.285 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C 918613031 RJGYTPYYJLFNHP-CYBMUJFWSA-N 449.429 5.330 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(CN2CCCCC2=O)cc1 919893318 DTSRDTBRZJNVLL-UHFFFAOYSA-N 439.515 5.424 30 20 IKED N#C[C@@H](C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1nc(-c2ccccc2)cs1 920113699 LUIXPLLZGDKUFK-KRWDZBQOSA-N 438.434 5.505 30 20 IKED Sc1nnc(-c2ccccc2Br)n1N=Cc1csc(-c2ccsc2)n1 920366137 IFXWDVGWCSENJE-UHFFFAOYSA-N 448.396 5.064 30 20 IKED Cc1ccc(-c2nc(O)n[nH]2)cc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 1155260978 YLTLZSIGOJQSEM-UHFFFAOYSA-N 445.866 5.055 30 20 IKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)CCC#N)cc3)CCC2)cc1Cl 1787889069 GGZBBVNIKCDTRL-UHFFFAOYSA-N 439.943 5.179 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5cc(Cl)ccc45)cc3)CCC2)C1 1788981891 ZVYSADNUTRQKBQ-UHFFFAOYSA-N 433.939 5.535 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc4ccccc4o3)cc2)CCC1 1789004061 PSXUBEZQKHZTBI-UHFFFAOYSA-N 432.520 5.163 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4ccnn34)CCC2)cc1 1789625734 UZWYLNNEOSXCDR-UHFFFAOYSA-N 430.552 5.074 30 20 IKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cc(F)cc(F)c4)cc3)CCC2)c1 1790331473 XGALSKGXMOGGGZ-UHFFFAOYSA-N 449.432 5.037 30 20 IKED C[C@@]1(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)CC=CCC1 1790708286 FAULPGUKBUBTRW-AREMUKBSSA-N 427.548 5.247 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2sccc2Cl)[C@@H]1c1cccnc1 1810501672 CHLLWVKQYPTANT-PKOBYXMFSA-N 446.016 5.109 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H](C)c2ccccc2)[nH]n1 1814830079 OAPKHBJTUDFCKM-XXBNENTESA-N 434.584 5.364 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3cccnc23)CC1 1828038322 STSBMKXKYFJMRX-DEOSSOPVSA-N 447.623 5.461 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)ccc2C)CC1 1828827131 IHOWLVULAJRRDE-ZCYQVOJMSA-N 438.612 5.005 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCc2cccnc2)CC1 1832340885 YDADYOSOORVUKL-DEOSSOPVSA-N 439.644 5.016 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(C(F)(F)F)cc1Cl 1847264345 YYMICUMYXVOWNM-ROUUACIJSA-N 442.909 5.167 30 20 IKED Cc1cc(C)c(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2cccc(O)c2)cc1C 11263147 IYSDOQNPTYJUJB-UHFFFAOYSA-O 433.597 5.779 30 20 IKED C=CCOc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1 14703407 FIJGLVVNBQLDFV-ATVHPVEESA-N 432.332 5.746 30 20 IKED C[C@H](OC(=O)c1ccc(C2SCCCS2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 18527664 SEGZLOIMMIHPGR-ZDUSSCGKSA-N 446.981 5.264 30 20 IKED COc1cccc(Cc2cnc(NC(=O)c3ccccc3-c3ccccc3C#N)s2)c1 23511251 NJMIRKNKORWSAY-UHFFFAOYSA-N 425.513 5.533 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc3c(c2)CCCC3)c(C)[nH]1 23604531 HBOYYDJGMSSORM-UHFFFAOYSA-O 436.576 5.296 30 20 IKED C=CCn1c(SCc2cccc(OCC(F)(F)F)c2)nnc1-c1ccccc1OC 59833254 AZFFFCOELVZAQT-UHFFFAOYSA-N 435.471 5.373 30 20 IKED N#CC1CCN(c2nc(CSc3ccc(Cl)cc3)nc3sc4c(c23)CCC4)CC1 60874517 WQDJEOCGOUDKTN-UHFFFAOYSA-N 441.025 5.866 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NC3(c4ccc(F)cc4)CCC3)c2)c1 63286231 OLZDUMOOWQZPIU-UHFFFAOYSA-N 428.467 5.151 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccccc1F 195569791 LUTAAJFYBFOKKH-UHFFFAOYSA-N 436.434 5.020 30 20 IKED N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(CSc3ccccc3)cc2)CC1 302800336 SZGMZAGYEKWGNE-VWLOTQADSA-N 427.573 5.002 30 20 IKED Cc1csc(NC(=O)CSc2nc(-c3ccc(C)o3)cc(C(F)(F)F)c2C#N)n1 303673526 XKVACJUKCSRWQR-UHFFFAOYSA-N 438.456 5.036 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 409862144 NKPVKIPCPYYOBY-HXUWFJFHSA-N 427.932 5.214 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)NC12CCC(C(F)(F)F)(CC1)CC2 426250844 JGLYSYQMTUZHGZ-OOHWJJMZSA-N 426.376 5.774 30 20 IKED Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)sc2ccc(C#N)cc12 431266107 NCKWBIVCDNZWNW-UHFFFAOYSA-N 445.466 5.189 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1 432671649 SBGBYTBOKSLZOT-AREMUKBSSA-N 438.531 5.888 30 20 IKED C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 434364693 PSYRTYFYVLUSSB-MRXNPFEDSA-N 444.362 5.166 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2cnn(Cc3ccncc3)c2)cc1Cl 437784529 ZEBLVFDGYOFEAW-JOCHJYFZSA-N 442.910 5.279 30 20 IKED CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)s1 437959292 DWEWAZUPKIZYDA-GOSISDBHSA-N 448.592 5.998 30 20 IKED COc1ccc(-c2ccc(CNC(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)cc1 438073616 LGYDKZNLRCAPET-SFHVURJKSA-N 431.561 6.078 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](c2ncc(C)s2)C2CC2)cc1 438218593 VTZUBESSTFHGFX-OAQYLSRUSA-N 434.521 5.397 30 20 IKED O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)Nc1cccc(COCC(F)(F)C(F)F)c1 438621854 JYKNCVFEYDSFII-GXTWGEPZSA-N 444.391 5.594 30 20 IKED Cc1cccc2nc(C3CCN(C(=O)Nc4ccc(OC(F)(F)F)c(C#N)c4)CC3)oc12 442212226 XYKBNNGIWQBZCR-UHFFFAOYSA-N 444.413 5.318 30 20 IKED N#Cc1c(NC(=O)CCc2nc3cc(Br)ccc3s2)sc2c1CCCC2 443815495 NNLREEWXWFJTHS-UHFFFAOYSA-N 446.395 5.442 30 20 IKED Cc1c(CSC(C)C)cccc1NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 446314867 FWIXOJSXRFBNBU-UHFFFAOYSA-N 438.597 5.415 30 20 IKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)c1cccc(C(F)(F)F)c1 447140129 RTCLLGNLFAMBGK-KRWDZBQOSA-N 437.849 5.073 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 460392971 HPUAYOOVANOSGU-DYESRHJHSA-N 440.519 5.214 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)cc1 460881071 LRWBMZPKEUEDCA-UHFFFAOYSA-N 441.959 5.674 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N(C)S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 462483522 FKTWQZHVUNKRHC-MRXNPFEDSA-N 440.952 5.269 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(c3noc(C4CC4)n3)CC2)cc1 463182372 FEJAIYQQYLRKPV-UHFFFAOYSA-N 444.560 5.131 30 20 IKED COc1ccc(C(C)(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC 466347721 SSZFWTVLJHDDMG-UHFFFAOYSA-N 444.531 5.379 30 20 IKED COCc1ccc([C@@H]2CCCN2C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)o1 466850185 YKNIUVIJFAHZLS-FQEVSTJZSA-N 436.895 5.721 30 20 IKED C[C@@H](O)C[C@H](CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccccc1 469056469 QZKKRUUEUBLBHI-YLJYHZDGSA-N 434.923 5.288 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCC(c4ncccc4Cl)CC3)c2)c1 469958609 YXAPYTRMFNHHJZ-UHFFFAOYSA-N 431.923 5.205 30 20 IKED C[C@@H](Oc1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1)c1ccccc1 472535400 CEEZVTNKIZDTGN-JOCHJYFZSA-N 439.559 5.115 30 20 IKED CNC(=O)c1cc2cc(NC(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)ccc2[nH]1 473573568 WCZKZEUBHOEFAC-UHFFFAOYSA-N 444.878 5.097 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 476178202 VTELZWREBXAQAP-UHFFFAOYSA-N 443.469 5.002 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc2c1CN(c1nccs1)C2 479043376 JANBEOPJQKOCGA-UHFFFAOYSA-N 436.585 5.051 30 20 IKED Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481575897 SEWGAULCOWOVIF-DEOSSOPVSA-N 429.495 5.954 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(COC(F)(F)F)cc3)n2)cc1 483511125 BWMZDCCQCHWGPI-QGZVFWFLSA-N 432.423 5.345 30 20 IKED Cc1ccc(-c2ccc(C)c(NC(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)c2)o1 483913119 JHQYQBALSPRYOY-UHFFFAOYSA-N 433.483 5.650 30 20 IKED C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 483941441 OGIDATIPHIDKTB-FQEVSTJZSA-N 437.584 5.508 30 20 IKED CCOC(=O)c1csc([C@@H]2CCCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)n1 484146616 QKTYYUGMIFXSKU-PBHICJAKSA-N 444.582 5.083 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2C)nnc1-c1ccccc1C 488892011 FYFFMUOIYIYOCA-INIZCTEOSA-N 426.973 5.521 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3C(=O)c3ccccc3)c2)c1 490430323 KAQJKLDSJAFBAM-UHFFFAOYSA-N 445.478 5.294 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H](C#N)c1ccc(Br)cc1 499415433 FBLYGXLNHCAPSI-INIZCTEOSA-N 430.302 5.015 30 20 IKED CN1CCC(Nc2ccccc2NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 502624007 SKSYFWTZZVDNLE-UHFFFAOYSA-N 426.520 5.109 30 20 IKED COCc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)sc2cccc(F)c12 503967367 TVRNHUVDQVCVNK-UHFFFAOYSA-N 446.503 6.412 30 20 IKED C=CCN(C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1nc2c(s1)CCCC2 508770508 USAVVFASFMYKHS-UHFFFAOYSA-N 449.523 5.997 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1 509038597 MSSKBWPKICMZEA-UHFFFAOYSA-N 427.435 5.040 30 20 IKED COc1ccccc1Oc1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 510078799 MEJDDTQWADUBIC-UHFFFAOYSA-N 443.503 5.434 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3ccc(-c4cccc5cccnc45)cc3)CC2)cc1 511179382 VZIADGKIHJGIPT-UHFFFAOYSA-N 433.511 5.457 30 20 IKED Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cccc(COc4ccccc4C#N)c3)[nH]c2c1 513239205 VQSQDXKWFGMHNG-DEOSSOPVSA-N 436.515 5.299 30 20 IKED Cc1ccc([C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)N2CCCC2)o1 513876861 SDPSEIKUVLOBEZ-XMMPIXPASA-N 444.535 5.519 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4ccccc4)nc3O)cc2Cl)cc1 516399421 VWJGQXQKZHHEDX-UHFFFAOYSA-N 441.874 6.024 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(Br)c1 518151693 VJVHGAHDYRJEJW-UHFFFAOYSA-N 429.261 5.726 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc4nc([C@@H]5CCCO5)[nH]c4c3)cc2)cc1 518375874 MFBCYUMUDRXWOW-DEOSSOPVSA-N 438.487 5.525 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Oc4ccccc4)cn3)n2)cc1 519519786 XTXUQQOITIVJKK-FQEVSTJZSA-N 427.485 5.496 30 20 IKED C=CCN(CCc1ccccc1)C(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 520096864 PNLMTTFSBIFJSS-UHFFFAOYSA-N 438.980 5.833 30 20 IKED C[C@@H](CCc1ccc(Br)cc1)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 520940147 GJAPAPUBAGXNGI-HOTGVXAUSA-N 446.414 5.986 30 20 IKED N#Cc1cccc(COc2cccc(CN[C@H]3CCN(c4ccccc4OC(F)F)C3)c2)c1 522649889 GQBRMFGQEGKQRR-QFIPXVFZSA-N 449.501 5.107 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nc2cc(Cl)cc(C)c2o1 522685236 XDQIDKYXBIYDEH-AWEZNQCLSA-N 429.929 5.226 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c2)cc1 523797419 ZWJBORHGDQMBFS-FQEVSTJZSA-N 442.425 5.372 30 20 IKED Cc1c(Cl)cccc1Nc1nnc(SCc2nnc(-c3cccc(C#N)c3)o2)s1 525625943 UFPJFMZECKKNKP-UHFFFAOYSA-N 440.941 5.458 30 20 IKED N#Cc1cccc(CC(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)c1 531151823 UKBIBUHWBRMWSO-UHFFFAOYSA-N 435.361 5.190 30 20 IKED C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1 533368946 HMSXXDSUXCXWQE-XMMPIXPASA-N 449.601 5.124 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cc(N2CCCC2=O)ccc1Cl 539775925 SNETUBDJCGLAFM-UHFFFAOYSA-N 431.879 5.383 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)CCC1CCN(c2ccncc2)CC1 539978620 QXRAZCJTJLCJSK-UHFFFAOYSA-N 447.501 5.044 30 20 IKED CC(=O)N1CCc2c(sc3nc(-c4ccsc4)c(C#N)c(-c4ccc(C)cc4)c23)C1 542515074 ZRJNNMCUZIYDDX-UHFFFAOYSA-N 429.570 5.777 30 20 IKED CN(C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 542635638 LGJCRGSMGQRNPQ-RDGATRHJSA-N 445.494 5.874 30 20 IKED N#Cc1ccccc1Oc1ccc(-c2nc([C@H]3CC(=O)N(CC4CCC4)C3)no2)cc1Cl 545854805 UEPTWFQHWXVISJ-SFHVURJKSA-N 448.910 5.170 30 20 IKED C[C@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C)c1ccc(C#N)cc1 548971131 LYKFXXPJLUVHAP-CSWVRBLFSA-N 436.987 5.186 30 20 IKED C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC(OCCCC)CC1 549285507 JJJQTMAJLMZPKG-UHFFFAOYSA-N 433.394 5.069 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)c1cscc1C#N 551823263 QYNIZDGQPGCFPU-JTQLQIEISA-N 432.368 5.305 30 20 IKED CCc1ccc(Cl)c(CC)c1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 554051380 UHPUMSIOKMHLEX-UHFFFAOYSA-N 429.923 5.551 30 20 IKED CCOC(=O)Cc1ccccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 554719954 DISYWUYKJDRGNF-UHFFFAOYSA-N 434.879 5.362 30 20 IKED C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@H](c2cccc(F)c2)C1 555243186 KLCALTFMABOUGC-IBGZPJMESA-N 438.572 5.288 30 20 IKED N#CCCN(C(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1ccc(F)cc1 561799736 MLHAVEKTZVYECJ-UHFFFAOYSA-N 440.272 5.336 30 20 IKED N#Cc1cccc(COc2cccc(CN3CCCC[C@@H]3c3nnc(C4CCC4)o3)c2)c1 573726168 QQSMOLQGLSWHPA-XMMPIXPASA-N 428.536 5.515 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@](F)(c4ccccc4)C3)c2)cc1 579735943 BXQPMUDMSCEMCK-AREMUKBSSA-N 429.495 5.434 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1sc(-c2ccc(OC)cc2F)nc1C 581554187 XGLLYCCFZCIDKC-UHFFFAOYSA-N 442.560 5.262 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 588235634 JXHNSKXDIZEGQO-UHFFFAOYSA-N 430.512 5.133 30 20 IKED O=C(CCc1ccccc1OC(F)(F)F)Nc1ccc(OC(F)F)cc1OC(F)F 589313879 HFZJHXNJIHXTLK-UHFFFAOYSA-N 441.299 5.359 30 20 IKED C[C@@H]1CCN(C(=O)CNc2ccc(Oc3ccnc(C#N)c3)cc2)c2ccccc2S1 589566243 SDMOXKXEWYLFJH-QGZVFWFLSA-N 430.533 5.075 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)NC1(c2ccc(F)cc2)CCC1 590855211 JZPZDDYYJXDLKC-NHAGDIPZSA-N 426.376 5.414 30 20 IKED C=CCn1c(SCc2cc(F)ccc2Br)nnc1-c1ccccc1OC 591658193 CIVSDGHTLNPQRD-UHFFFAOYSA-N 434.334 5.334 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ncc(-c4ccccc4)o3)c2)cc1 603824244 DUVPQTBQTJVPDS-UHFFFAOYSA-N 438.487 5.308 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 604085187 YADXCSLYHUXQGK-UHFFFAOYSA-N 430.483 5.201 30 20 IKED N#C[C@H](C(=O)c1ccc(OC2CCOCC2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 608552834 BMLPJJWLWAPKQT-QGZVFWFLSA-N 446.450 5.363 30 20 IKED COc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC(F)F 609060697 KPXDSQRWSBVVCA-UHFFFAOYSA-N 438.430 5.308 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccn(-c4ccccc4F)n3)cc2Cl)c1 609062368 NEQZOGXXWALWNN-UHFFFAOYSA-N 446.869 5.368 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCCOc2ccccc21 609080103 PSITVKJTCLXOAP-XMMPIXPASA-N 427.504 5.481 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C3(c4cccc(F)c4)CCOCC3)cc2F)c1 609104312 CXVXJTCZXCKJAQ-UHFFFAOYSA-N 448.469 5.102 30 20 IKED CCCN(C(=O)CCCc1nc(-c2ccc(F)cc2)no1)c1cc(Cl)ccc1C#N 609285697 CYRULWYHHWTYRW-UHFFFAOYSA-N 426.879 5.167 30 20 IKED C[C@H](c1ccc(F)cc1)[S@@](=O)CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 609367641 QTJGBXSRRYNXCZ-UIHBWLLHSA-N 441.368 5.312 30 20 IKED Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3SC[C@H](C)C#N)C2)c1 609378002 ODDXULFURHXYQP-UXHICEINSA-N 435.593 5.046 30 20 IKED Cc1ccc(OCc2ccc(C(=O)N[C@@H](C#N)c3ccccc3Br)o2)c(C)c1 609591310 MAMXIZSYIQUUML-IBGZPJMESA-N 439.309 5.233 30 20 IKED N#Cc1ccc([C@@H](Sc2nc(Nc3ccccc3Cl)c3ccccc3n2)C(N)=O)cc1 609649015 SSVUHVJTZTYVCF-HXUWFJFHSA-N 445.935 5.217 30 20 IKED CC1CCC(N2CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2)CC1 609682348 NGQSKRAKRNFQAM-UHFFFAOYSA-N 446.595 5.060 30 20 IKED COc1ccc(CN(C)C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1OC(F)F 609987076 YXWHSAHSOUACTF-UHFFFAOYSA-N 437.446 5.184 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(SCc3ccccc3)cc2)c1C 610053900 WLGTZPIBFZLFHZ-UHFFFAOYSA-N 438.556 5.905 30 20 IKED Cc1cccc(NC2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)c1 610163014 CZDVDILPRSEDGV-UHFFFAOYSA-N 426.520 5.767 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccccc2Oc2cccnc2)cc1F 610313379 MLRLDIURBRDZTI-UHFFFAOYSA-N 425.419 5.929 30 20 IKED N#C[C@H](NC(=O)c1sc(-c2ccccc2)nc1C(F)F)c1cccc(Br)c1 611184844 OZMSAEVPCDNAOP-AWEZNQCLSA-N 448.292 5.505 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)N[C@@H](C)c1cccc(C#N)c1 613503614 VNUQFMOXIBJSTO-INIZCTEOSA-N 432.911 5.655 30 20 IKED COC[C@@H](NC(=O)c1c(F)cc(C(F)(F)F)cc1F)c1cccc(C(F)(F)F)c1 643542664 OMKRJOZDJKFGPJ-CQSZACIVSA-N 427.291 5.120 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 669949342 KXOCQQAHUFCTTE-ZDUSSCGKSA-N 444.347 5.476 30 20 IKED O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 683055156 HPAAJKBWDGXPLZ-JFGNBEQYSA-N 440.281 5.201 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(Br)c1F 683187321 SDKGUJQCPHGRPY-YUMQZZPRSA-N 436.165 5.228 30 20 IKED COc1cc([C@@H](C)NC(=S)Nc2ccc(C#N)c(Cl)c2)ccc1OC1CCCC1 726464000 FILMOCBTHMSPJD-CQSZACIVSA-N 429.973 5.589 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=S)Nc1ccc2c(c1)OCCCO2 727281076 NLWWKODLEFQMSQ-UHFFFAOYSA-N 431.517 5.629 30 20 IKED C[C@H](OC(=O)c1cc2ccccc2n1CC#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 729767775 VMNXDOPSWWNOKZ-LBPRGKRZSA-N 449.816 5.021 30 20 IKED CC[C@H](C)Oc1ccccc1/C=C\C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 729888395 FIDYTSFTTZRJRQ-CIZGOSNJSA-N 431.319 5.531 30 20 IKED C[C@H](CC#N)Sc1ccccc1N/C=C1\C(=O)N(c2ccccn2)C(=O)c2ccccc21 731339418 VRWUEELUEUOYPX-XUMLYMLNSA-N 440.528 5.116 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccc(Cl)cc1Cl 733080887 FNFWRCLXXOFBTI-UHFFFAOYSA-N 426.229 5.700 30 20 IKED CC(=O)Nc1ccc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1C 733624947 MZDOJHJCNCGHOB-UHFFFAOYSA-N 428.492 5.243 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)c1 733804431 DHIWGKKOUJSQAQ-IRLDBZIGSA-N 439.968 5.671 30 20 IKED CN(C)C(=O)Sc1cccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1 734321493 PIJRPOIUZNWXMU-UHFFFAOYSA-N 431.517 5.163 30 20 IKED CC(C)c1ccccc1NC(=O)COC(=O)c1cccc(COc2cccc(C#N)c2)c1 734592015 BEAAZMWRXLEMMC-UHFFFAOYSA-N 428.488 5.056 30 20 IKED Cc1cccc(-c2nc(CC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)cs2)c1 739595332 WSJFCTXJIXIRSV-UHFFFAOYSA-N 429.570 5.578 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC[C@H](O)c3c(Cl)cccc3Cl)cc2)cc1 740944228 TWKDVEWLWSPZCJ-NRFANRHFSA-N 441.314 5.315 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)cc1 743093217 PDYWVIKDGODCRJ-ICSRJNTNSA-N 438.314 5.904 30 20 IKED COC(=O)C(C)(C)c1ccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 743095737 MAISCWBRIUJJDP-HSZRJFAPSA-N 427.504 5.437 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 743429294 JHMHOJZYZIDNKQ-UHFFFAOYSA-N 442.446 5.631 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)n2)cc1 744061200 IPZMKYDTXHRXFQ-GBESFXJTSA-N 438.339 5.969 30 20 IKED Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)c2Cl)cc1 744371169 MYMSCCFRNAQDIW-UHFFFAOYSA-N 432.833 5.344 30 20 IKED N#Cc1ccc([C@@H](OC(=O)c2c(Cl)cccc2Oc2ccccc2Cl)C(N)=O)cc1 745551767 QLXNFCCYBDSQLI-HXUWFJFHSA-N 441.270 5.041 30 20 IKED C=CC[C@H](NC(=O)N[C@@H](c1cccc(SC)c1)c1ccc(F)c(F)c1)c1ccncc1 745825025 BNMCGLVCDXTTRK-GOTSBHOMSA-N 439.531 5.788 30 20 IKED CCCOc1ccc(CC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1OCCC 747232838 DWYCXWBXXWQYPU-QGZVFWFLSA-N 426.513 5.432 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1NC(=O)OC(C)(C)C 747793083 YDFLGVRCCPPESM-UHFFFAOYSA-N 444.491 5.653 30 20 IKED CCn1cc(CC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2ccccc21 748483132 QHKKJOKATCGTAF-MRXNPFEDSA-N 427.451 5.709 30 20 IKED C=CCn1c(SCC(=O)O[C@H](C)c2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1 748686419 XXQHUNPYKSFNME-OAHLLOKOSA-N 438.940 5.053 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc(-c3csc(C)n3)cc2)cc1 749212192 SREKPEBTOPCNEP-UHFFFAOYSA-N 446.576 5.254 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C(/C)c3ccccc3OC(F)F)n2)cc1 753395467 IVBMPGFEJOTFSV-RMHQSFGDSA-N 440.471 5.700 30 20 IKED COC1CCN(c2ccc(NC(=O)c3ccc(Cl)c(C#N)c3)cc2C(F)(F)F)CC1 754239385 ZSNUAXFHTXGQPM-UHFFFAOYSA-N 437.849 5.098 30 20 IKED Cc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(Br)n1 755526788 QJKVFMORUQQHQT-GOSISDBHSA-N 440.728 5.714 30 20 IKED C=C[C@@H](CC(=O)OCc1csc(N(C(C)=O)c2ccc(CC)cc2)n1)c1ccccc1 758915159 OZYYJPJALSSFOE-FQEVSTJZSA-N 434.561 5.793 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(F)cc2N(C)C)cs1)c1ccc(F)cc1F 759609355 HUQIDHNJDDTOJL-TWGQIWQCSA-N 445.466 5.207 30 20 IKED Cc1cc(OCc2ccccc2)ccc1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 761862728 XLTJGHSAFHXTCU-VWLOTQADSA-N 427.504 5.051 30 20 IKED N#Cc1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)c(Cl)c([N+](=O)[O-])c1 764300703 BNIIZCCPQYENDG-UHFFFAOYSA-N 434.864 5.395 30 20 IKED Cc1ccc(-n2cc(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)c(C(C)(C)C)n2)cc1 764302440 PPCNIKJTIGIHQA-UHFFFAOYSA-N 437.887 5.164 30 20 IKED CC[C@@H](C)n1ncc2c(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cc(C)nc21 764752645 RFSMRLGLLVEKDN-SECBINFHSA-N 447.326 5.039 30 20 IKED Cc1ccc(-c2csc3nc(/C(Cl)=C\c4ccc(C#N)cc4F)nc(O)c23)s1 772798664 XEIDCKNLNLVMDY-VGOFMYFVSA-N 427.913 6.182 30 20 IKED C#CCOc1ccc([C@@H](C)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)cc1 773027467 QSMUKJFZOFPTGT-ZBLYBZFDSA-N 447.600 5.159 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(CC(C)C)[C@@H]2CCCc3cccnc32)cc1C#N 775688036 GBGFEUZXJMDQQC-OAQYLSRUSA-N 435.528 5.089 30 20 IKED CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)Cc2ccccc2CC#N)c1 776764211 PKXPWLCPNUFIBF-FQEVSTJZSA-N 425.532 5.044 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 780521156 RLKAHORERSOQDZ-INIZCTEOSA-N 448.910 5.551 30 20 IKED COc1ccc(C[C@@H](NC(=O)Nc2ccccc2O[C@@H](C)C#N)c2ccc(OC)cc2)cc1 780674170 KRDUVNANKZLLOY-MHECFPHRSA-N 445.519 5.100 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](c2ccc(Cl)cc2F)C(C)C)ccc1OC 781937230 OTZDOOWFSAJNJG-JTSKRJEESA-N 447.938 5.365 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C/C(=O)c1ccc(C(=O)N(C)C)cc1 792926435 QHHYLILCHOXQEX-VAWYXSNFSA-N 428.319 5.085 30 20 IKED N#C[C@@H](C(=O)C1(c2cc(F)cc(Br)c2)CC1)c1nc2ccccc2n1C(F)F 796800662 FMLYWKVFICREAP-AWEZNQCLSA-N 448.242 5.241 30 20 IKED C=CCn1c(SCC[S@@](C)=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 798232824 KBMGUCNSVIOFJK-WJOKGBTCSA-N 448.617 5.125 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 799424756 PZZLKHOVXLQVPD-LJQANCHMSA-N 429.605 5.697 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 808830085 PDTVDZQOEVNRRL-GKVQRAMASA-N 431.561 5.677 30 20 IKED Cc1ccc([C@@H](O)c2ccccn2)cc1NCc1cccc(OCc2ccccc2C#N)c1 812846111 FVKRZJCWEOSHQX-MUUNZHRXSA-N 435.527 5.535 30 20 IKED Cc1sc2ncnc(N3CCC(C(=O)N(O)Cc4cccc5ccccc45)CC3)c2c1C 901371965 ZGABJHSCVZVHLB-UHFFFAOYSA-N 446.576 5.096 30 20 IKED CCN1CCc2nc3ccccc3c(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2C1 915180971 UMJRFTCXXHAIAI-XMMPIXPASA-N 446.554 5.521 30 20 IKED Cc1ccc(Cn2nc(C)c(/C=C3/SC(=Nc4c(C)cccc4C)NC3=O)c2C)cc1 915849092 XLFKNFTWVRQBPQ-LPYMAVHISA-N 430.577 5.365 30 20 IKED CS(=O)(=O)c1ccc(NN=Cc2c(Cl)cccc2OCc2ccccc2Cl)cc1 917548077 KLBGZYCYNNXMPU-UHFFFAOYSA-N 449.359 5.422 30 20 IKED CN(Cc1csc2ccccc12)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 918275451 PFJPYSGEGFEMAJ-QHCPKHFHSA-N 439.540 5.154 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(Cc2ccc(C)s2)C(C)C)c1=S 920083721 GTHYKCVHTAZSIT-UHFFFAOYSA-N 428.627 5.514 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1nc(-c2ccncc2)cs1 920265786 TURMMBVCLIQBAK-JOCHJYFZSA-N 437.524 5.711 30 20 IKED CCc1ccccc1NN=Cc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1 920374025 PGURBUOZDWGDGZ-UHFFFAOYSA-N 432.471 5.855 30 20 IKED CC(C)CN(CCc1ccccc1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 921133234 GQTAZWWFULERFO-AREMUKBSSA-N 439.559 5.008 30 20 IKED CC1(C)CCc2nc(O)c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc2C1 1319345353 CAHTVTRFWGOJSX-UHFFFAOYSA-N 445.494 5.144 30 20 IKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)n4ccccc34)CCC2)cc1 1787647332 FGSYQJJPSAJQGK-UHFFFAOYSA-N 448.526 5.268 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5ccccc5o4)cc3)CCC2)c1 1789004426 HKFXDYTUOAMGKT-UHFFFAOYSA-N 435.483 5.366 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnc(Cl)s3)cc2)CCC1 1789862193 OVBRZKQXVPNIGT-QGZVFWFLSA-N 429.973 5.313 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(Cl)ccnc4c3)cc2)CCC1 1790838435 KGUZBJLAOKWMJL-UHFFFAOYSA-N 445.950 5.439 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C2(C)CCCCC2)[C@@H]1c1cccnc1 1802502154 WXUOZOVWEVJLOK-FGZHOGPDSA-N 425.617 5.050 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2C2CC2)[C@@H]1c1cccnc1 1813752002 BAPXOTBPROHDBB-BVAGGSTKSA-N 443.591 5.047 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(C)C)no2)CC1 1829068719 MPCZLGGAUOECQU-OAQYLSRUSA-N 429.605 5.024 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCc3cccc(Cl)c32)CC1 1831226423 VOCFEVBKTJLOAL-HARLFGEKSA-N 443.031 5.202 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2ccccc2)c(C)s1 10172894 ZAWZNODMXZIFDP-UHFFFAOYSA-O 433.525 5.305 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1cccc(OC)c1 14082871 WINDXKWGJHANOZ-UHFFFAOYSA-N 449.363 5.177 30 20 IKED CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc2ccccc2n1CCC#N 14301112 QPDPLUTYYMYCTC-LJQANCHMSA-N 429.351 5.774 30 20 IKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3)n2)nc2ccccc2c1=O 15230955 ZUYOTOBIHAVSHB-UHFFFAOYSA-N 448.573 5.016 30 20 IKED O=C(C[C@@H]1S/C(=N/c2cccc(C(F)(F)F)c2)NC1=O)Nc1ccc2ccccc2c1 15231850 XROJTNAGMJHHDA-SFHVURJKSA-N 443.450 5.107 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 62896671 WDZBDHFBYVVCOC-UHFFFAOYSA-N 425.872 5.051 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)nnc1-c1ccccc1F 217155136 SJDDXHBRTOTGIU-OAQYLSRUSA-N 442.535 5.015 30 20 IKED N#Cc1cccc(CN[C@H](c2ccc(F)cc2)c2ccccc2I)c1 237906674 MYUBIYRLUZQRJS-OAQYLSRUSA-N 442.275 5.181 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)cc1 302973547 OLJAXQCNSIPGLN-UHFFFAOYSA-N 431.561 5.763 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc1 303083675 ALUBFTJOGPPSIE-UHFFFAOYSA-N 429.467 5.811 30 20 IKED Cc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1NC(=O)c1ccccc1 303394073 YQTCKZCALBSWTC-UHFFFAOYSA-N 447.494 6.164 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)c2)c1 303607161 KVFJCFGZZMSFJM-UHFFFAOYSA-N 444.494 5.933 30 20 IKED CC(C)n1c([C@H](C)NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)nc2ccccc21 303813617 VVCUBRUVTWCZHA-IBGZPJMESA-N 438.531 5.559 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 409497106 CRNLLHUBNPHWLF-RBBKRZOGSA-N 444.487 5.119 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(COCc3ccccc3)cc2)c1-c1ccccc1 428643815 QMNDNHHYECEWCN-UHFFFAOYSA-N 436.515 5.433 30 20 IKED CCCc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccccc1C 429117794 UWQYMVSMSBQCNF-INIZCTEOSA-N 433.462 5.368 30 20 IKED CC(C)N1CC[C@H](NC(=O)N[C@@H](CCCC#N)c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 431462508 BQLJBRLICILNAC-HJOGWXRNSA-N 440.538 5.223 30 20 IKED N#CCCC[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1ccccc1 431916968 RRVGHXYCBGOZHP-FFZOFVMBSA-N 430.321 5.178 30 20 IKED CC(=O)N(c1nc(CN[C@H](CCCC#N)c2ccccc2)cs1)c1cccc(C)c1C 433013346 XFLWNVURSVAASZ-HSZRJFAPSA-N 432.593 5.969 30 20 IKED CCn1ncc2c(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cc(-c3ccccc3)nc21 436354756 QSVLLDNWXRXCTM-RDGATRHJSA-N 435.531 5.030 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)C(=O)Nc3cccc(OCCCC#N)c3)cc2)cc1 437061500 HEYFZVDAHLGSNP-UHFFFAOYSA-N 429.476 5.047 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)cc1 437370714 GXJSVZYUSGSSPQ-GHTZIAJQSA-N 438.474 5.554 30 20 IKED CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438660146 HGBLXJFFZZCDHK-UHFFFAOYSA-N 441.466 5.339 30 20 IKED CCN(C(=O)Cc1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1)c1ccccc1 439303460 FFOINQCTLASROC-VWLOTQADSA-N 440.547 5.449 30 20 IKED Fc1ccc(-c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)no2)cc1F 445813919 PABWUGKSSZLCMC-UHFFFAOYSA-N 425.235 5.037 30 20 IKED COc1cc(C[S@](=O)Cc2ccc(C(F)F)cc2)ccc1OCc1cccc(C#N)c1 460701398 WNPOQRBYXILOFS-WJOKGBTCSA-N 441.499 5.532 30 20 IKED CC(C)n1cc(Br)cc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 463138414 WRLYPVBSKYADDI-UHFFFAOYSA-N 429.343 5.003 30 20 IKED Cc1ncsc1-c1nc2ccccc2n1CC(=O)Nc1ccccc1S[C@@H](C)CC#N 463754953 KYDWPZYWAITGGO-HNNXBMFYSA-N 447.589 5.501 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)o1 464154138 UDESYKWAXYKLNX-UHFFFAOYSA-N 445.862 5.823 30 20 IKED COc1cc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1OC(C)C 467656411 SRIISTPNQLMQFD-UHFFFAOYSA-N 447.510 5.727 30 20 IKED CC[C@H](C)Oc1cc(C)ccc1CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470556576 PBZMUCXBUUWVQV-IBGZPJMESA-N 448.567 5.077 30 20 IKED CCOc1ccc(-c2nc(CC)c(C(=O)Nc3nc(C)c(SCC#N)s3)s2)cc1 470848980 WZOCBEAOMJIOKL-UHFFFAOYSA-N 444.607 5.404 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@]4(CCCOC4)C3)cc2Cl)c1 473639951 KFWSBFHCMZHFQV-DEOSSOPVSA-N 439.943 5.215 30 20 IKED C=CCn1c(SCc2csc([C@H](C)OC)n2)nc2sc3c(c2c1=O)CCCCC3 476509532 JWOMWNXZUNOHBE-ZDUSSCGKSA-N 447.651 5.369 30 20 IKED C[C@H](Nc1ccc(NC(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)cc1)c1ccccc1 480966620 CWNWPAOFPGDOSR-ROUUACIJSA-N 448.548 5.189 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N(CCC#N)c1ccc2c(c1)OCCO2 486191505 CVOLFTVALWQIRL-UHFFFAOYSA-N 445.953 5.165 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC(c3c(F)cccc3F)CC2)n1 486548578 MHFPEMSZEWGMIC-UHFFFAOYSA-N 441.869 5.087 30 20 IKED Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 487074710 ZPWZJEVZUMRHFX-UHFFFAOYSA-N 428.879 5.955 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N[C@@H](CCCC#N)c1ccccc1 487210420 MSXCLMVDPDXACS-IBGZPJMESA-N 427.426 5.834 30 20 IKED Cc1ccc(C(=O)N[C@H](CCCC#N)c2ccccc2)cc1NC(=O)Nc1ccccc1 487570004 UFIWILSQKPRXQG-HSZRJFAPSA-N 426.520 5.804 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)c1 487597394 URYVHUUMFBQDCF-UHFFFAOYSA-N 443.532 5.055 30 20 IKED C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1nc(C(F)(F)F)cs1 488297062 KNBRJHVUAMSFSL-GFCCVEGCSA-N 432.427 5.709 30 20 IKED COc1cc(C[S@@](=O)Cc2cc(F)c(C(F)(F)F)cc2F)ccc1OC(F)F 488737179 GQYXZZAPQCFCCP-MUUNZHRXSA-N 430.341 5.043 30 20 IKED C=C(C)Cn1c(S[C@@H](C)C(=O)c2ccc(Br)cc2)nnc1-c1ccncc1 489434099 WDTOYCMWUACDDJ-AWEZNQCLSA-N 443.370 5.042 30 20 IKED Cn1c([C@@H](NCc2cc(C#N)ccc2Br)c2ccccc2)nc2ccccc21 492821640 ZJQYWZGADMKHSF-QFIPXVFZSA-N 431.337 5.087 30 20 IKED C[S@](=O)c1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1F 495313138 UIBHKNFJYPYFFR-LJAQVGFWSA-N 428.872 5.133 30 20 IKED CC(C)n1ccc(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)n1 496337031 BSZILLDBXKFBRN-UHFFFAOYSA-N 434.447 5.046 30 20 IKED C=CCOc1ccc(C(=O)N(CC)[C@H](c2cccnc2)c2ccc(F)c(F)c2)cc1OC 496545929 AMUHGGHQQGEIBZ-DEOSSOPVSA-N 438.474 5.185 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3CCSc4c(F)cccc43)c2)cc1 503968491 FYRBRXZSIUVDQZ-QHCPKHFHSA-N 447.535 5.829 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)CC2)cc1 505123031 DLCMHDYSDYEUEM-UHFFFAOYSA-N 444.918 5.126 30 20 IKED N#C[C@@H](NC(=O)CCc1ncc(-c2ccccc2Br)o1)c1ccc(Cl)cc1 505809269 NLKOCPSZVRGPNQ-QGZVFWFLSA-N 444.716 5.071 30 20 IKED Cn1ccnc1SCc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)o1 507902865 OVHCZQPGAHEKDD-UHFFFAOYSA-N 430.489 5.222 30 20 IKED Cn1ccnc1Sc1ccccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 509120175 CSGZKYMEYOHFCP-UHFFFAOYSA-N 440.528 5.274 30 20 IKED N#C[C@@H](C(=O)c1cc(F)cc2nccnc12)c1nc(-c2ccc(Cl)cc2Cl)cs1 510701562 GYDKZOLUNGWGJT-AWEZNQCLSA-N 443.290 5.689 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1cccs1)C[C@H]1CCCO1 510921156 XNRUMBFYCJEZAP-JOCHJYFZSA-N 447.560 5.934 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2ccccc2C(F)(F)F)cc1 510938802 WROBENCHKRQTAZ-INIZCTEOSA-N 431.458 5.402 30 20 IKED CC(C)n1c([C@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)nc2ccccc21 515015985 KCTQCDNHBWKHCQ-KRWDZBQOSA-N 425.492 5.167 30 20 IKED Cc1cccc(COc2ccc(NC(=O)CCc3c(C)nc(O)c(C#N)c3C)c(C)c2)c1 517171301 UILNSGTWMFRUKA-UHFFFAOYSA-N 429.520 5.043 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](c1ccco1)N1CCCC1 517684595 OWEUTAPYRGCRMY-QHCPKHFHSA-N 430.508 5.211 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccnn3Cc3ccc(F)cc3)cc2)cc1 517685519 QAXSNDUGEGVAIY-UHFFFAOYSA-N 426.451 5.181 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(N4CCCC4)c(F)c3)cc2F)c1 518522486 KNVDHMSWZJFPFA-UHFFFAOYSA-N 433.458 5.268 30 20 IKED COc1ccc2oc([C@@H](C)NC(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)c(C)c2c1 518581038 QNASJUALQXXSSB-OAHLLOKOSA-N 446.532 5.552 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1 518849065 OEMNRMGHPKMSFE-JOCHJYFZSA-N 435.405 5.151 30 20 IKED O=C(NCc1ccccc1C(F)(F)F)Nc1cccc(COCC(F)(F)C(F)F)c1 519918708 QFOKNHDEJHEPCI-UHFFFAOYSA-N 438.343 5.444 30 20 IKED C[C@@H]1CCCN(Cc2ccccc2CNC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 521810456 PMTHPMYBKFETPG-WOJBJXKFSA-N 436.625 5.634 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC2(c3ccccc3)CCOCC2)c1 522582820 UOMGDXOWRBEBHU-UHFFFAOYSA-N 432.907 5.440 30 20 IKED Cc1cc(Sc2ncccn2)ccc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 523153772 BGFSDVANDBLGGZ-UHFFFAOYSA-N 437.528 5.804 30 20 IKED CCN1CCc2nc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)sc2C1 523885367 SFKMRQLJGRQLPT-UHFFFAOYSA-N 438.940 5.091 30 20 IKED Cc1csc(CCCCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)n1 524439271 PHHAQQDADMDVJH-UHFFFAOYSA-N 434.565 5.355 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccccc1Oc1ccccc1 524563105 AUVJKOQZGHYBBX-GOSISDBHSA-N 445.544 5.301 30 20 IKED C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 524899092 UMLOVEDNCRMRAR-NRFANRHFSA-N 440.547 5.479 30 20 IKED COc1ccc(OCc2nnc(SCCC(C)(C)C#N)n2-c2ccccc2F)cc1 525703961 WTNZKMFBNFQUNE-UHFFFAOYSA-N 426.517 5.026 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3ccc(Oc4ccccc4Cl)nc3)CC2)c1 531307580 YKJJMRZADWUSBD-UHFFFAOYSA-N 433.895 5.083 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnc(-c3cccnc3)s2)cc1 534134991 ZVJAJXHOPNAVLO-UHFFFAOYSA-N 428.473 5.130 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc4c3CN(c3ccccn3)C4)c2)cc1 534557337 WMDYTAARVDVGEZ-UHFFFAOYSA-N 432.483 5.518 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccc([S@](C)=O)cc1 534889732 IXLQGJYXIQAZRL-JGVYIQDASA-N 438.936 5.232 30 20 IKED CCN(CCC1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1)CC(C)C 539128363 RQNSRKHCIARJJY-HXUWFJFHSA-N 430.662 5.550 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)NCc1cccc(NC(=O)C2CCC2)c1 539775964 UHZXYBGWOGYIFC-UHFFFAOYSA-N 425.488 5.019 30 20 IKED Oc1cc(C(F)(F)F)nc(CNc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)n1 539957914 RHCLKLUJASBWQI-UHFFFAOYSA-N 448.298 5.158 30 20 IKED CCCc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1cccc(F)c1 541356455 XZWDYSNALHPNDL-INIZCTEOSA-N 437.425 5.199 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F 541445901 ACQYVFQYCGRYEJ-APPDUMDISA-N 429.414 5.642 30 20 IKED CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 541639524 USBDZDOOKDYWQP-WIOPSUGQSA-N 430.479 5.482 30 20 IKED C=CCn1c(SCc2sc(C)nc2C(F)(F)F)nnc1-c1ccccc1OC 542764991 JAONJHMLSBUPRK-UHFFFAOYSA-N 426.489 5.216 30 20 IKED Cc1cc(C(=O)NC(C)C)ccc1NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542942781 AYTSCSBRYHDVIN-IBGZPJMESA-N 440.547 5.555 30 20 IKED CC(C)N(C[C@@H](O)COc1cccc2ccccc12)C(=O)Nc1ccc(C(C)(C)C#N)cc1 543583476 GCBTVOZYZKDDQC-HSZRJFAPSA-N 445.563 5.323 30 20 IKED COCCOCc1cc(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1F 543856250 FCFSCPGXKPOOCD-SFHVURJKSA-N 432.495 5.018 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(OC(F)F)cc2F)cc1 549350880 BLJLIMDJWXFNCZ-UHFFFAOYSA-N 443.400 5.672 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccc3c(c2)nc(Cc2cccs2)n3C)cc1 552952429 GPENPXCVXKPADO-UHFFFAOYSA-N 444.560 5.185 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2ccccc2N(C)C)cc1 558189760 MRJZAIBENDWJAJ-UHFFFAOYSA-N 430.508 5.089 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N2CCC([C@H](F)c3ccccc3F)CC2)c1C#N 560722528 OHZQDEBCFISNSG-NRFANRHFSA-N 427.520 5.255 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 562001963 YULWBBYJMMNHIA-BSIFCXSSSA-N 427.545 5.604 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(C#N)(c3ccccn3)CC2)c(C)c1 572006388 CKBFYXNLJDRMNV-UHFFFAOYSA-N 447.586 5.609 30 20 IKED O=S(=O)(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)F)cc1 578216038 WTSTYMSBGAJELX-CQSZACIVSA-N 447.347 5.615 30 20 IKED CN(C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1ccccc1F 588038098 GSZGFFMZRIXYQG-UHFFFAOYSA-N 431.311 5.326 30 20 IKED N#C[C@@H](NC(=O)C1(c2cc(F)cc(Br)c2)CC1)c1cccc(C(F)(F)F)c1 588952185 FKZUSIRPNIJCJT-MRXNPFEDSA-N 441.222 5.020 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)s2)cc1 592973506 GEGPCWSLPYMDPY-MRXNPFEDSA-N 437.521 5.756 30 20 IKED CCc1cc(C#N)c(NC(=O)c2cccc(C(=O)Nc3sc(CC)cc3C#N)c2)s1 604029320 PBHLRUXTWOZISR-UHFFFAOYSA-N 434.546 5.182 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(C)c(Oc3ccncc3)c2)cc1 604224727 DMEHWSBDACLWNP-UHFFFAOYSA-N 427.504 5.249 30 20 IKED C=CCOc1ccccc1CNC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 604623753 AZYDGXNNKWSYDX-UHFFFAOYSA-N 435.911 5.479 30 20 IKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C 608915812 VYBBIGNHPOJDFP-UHFFFAOYSA-N 441.535 5.953 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2nccn2CC(F)(F)F)cc1Cl 609047077 SEVZKCBSMXERRN-KRWDZBQOSA-N 447.848 5.076 30 20 IKED Cc1ccccc1C1(CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CCOCC1 609298136 IDVLWJWPZRHRHH-UHFFFAOYSA-N 444.506 5.276 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl 609500536 SJZWYCPOEIOGFV-QZTJIDSGSA-N 438.314 6.103 30 20 IKED CC(C)n1c([C@H](C)NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)nc2ccccc21 609883422 LKYFTMBVRKOPBP-IBGZPJMESA-N 438.531 5.967 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(Oc2nccs2)c1 609907323 JAWLIPHINVUXHP-UHFFFAOYSA-N 441.512 5.947 30 20 IKED CSc1ccc(O[C@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 610106085 MTMBGMNQOUMATO-MRXNPFEDSA-N 436.508 5.404 30 20 IKED COc1ccc(Br)cc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 610174104 KBFHCSVYUGUFDT-UHFFFAOYSA-N 437.293 5.161 30 20 IKED CCc1cccc(CC)c1Nc1nnc(SCc2nnc(-c3cccc(C#N)c3)o2)s1 610217421 GOBGIQVEIQMWIC-UHFFFAOYSA-N 448.577 5.620 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 610223423 FGQVEVNFEWMQDQ-PKTZIBPZSA-N 442.490 5.114 30 20 IKED N#Cc1ccc(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)cc1C#N 610231638 VTCYMFBYIZAEAO-UHFFFAOYSA-N 426.526 5.463 30 20 IKED N#Cc1ccc(NCc2nc(-c3ccc(Oc4cccc(Cl)c4Cl)nc3)no2)cc1 612979098 VRHFJDFJPGWRQN-UHFFFAOYSA-N 438.274 5.714 30 20 IKED Cc1ccc(-n2ncc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)c2C2CC2)cc1Cl 613292302 GMQKAMIJMQYUBS-LJQANCHMSA-N 426.907 5.750 30 20 IKED Cc1sc(-c2ccco2)nc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 613320397 XOIAWNALUXZYSN-AWEZNQCLSA-N 425.922 5.979 30 20 IKED CC(C)(C)n1ncc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1C(F)(F)F 613407274 OJLNSSPNDZPHFB-SNVBAGLBSA-N 426.851 5.410 30 20 IKED COCc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)oc2ccccc12 642282196 TVPCHPUBQGCYBE-ZDUSSCGKSA-N 430.407 5.698 30 20 IKED O=C(NCc1ccc(C(F)(F)F)cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642674024 LJBREPQCXYJRBT-VXGBXAGGSA-N 436.318 5.414 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 678204372 BQIXGEVBALJJLC-TUAOUCFPSA-N 440.281 5.201 30 20 IKED CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 678371820 KKGFFGVBXMQPAW-SDPXSBNPSA-N 444.391 5.110 30 20 IKED O=C(NCc1cc(F)c(Cl)cc1F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 683976254 IIHGRUGMQNHXNU-IUCAKERBSA-N 438.746 5.327 30 20 IKED N#Cc1ccc(NC(=S)Nc2ccc(Cc3nc4ccccc4s3)cc2)cc1Cl 726440471 BWWKNHNDZJDRBR-UHFFFAOYSA-N 434.977 6.221 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](SCc3ccccc3)C(C)C)n2)cc1 727631406 DSIBRZBYIUOXGY-OFNKIYASSA-N 436.602 5.953 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1ccc(Cl)cn1 728061994 FYBMORFOLGFUBJ-CQSZACIVSA-N 441.318 5.278 30 20 IKED Cn1c([C@H](C#N)C(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)nc2ccccc21 730072445 WOYAUCBVSHDYJC-UZUQRXQVSA-N 433.483 5.561 30 20 IKED N#C[C@H](C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1nc2cc(F)ccc2s1 730416555 FUFIHGBMMVKCMJ-OAHLLOKOSA-N 440.887 5.338 30 20 IKED N#C[C@H](C(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1)c1nc2cc(F)ccc2s1 730422575 YUZRLRBNTFXGSS-MRXNPFEDSA-N 432.442 6.142 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1sc2ccccc2c1Cl 731061261 RASJVKDXXFAPLH-ZDUSSCGKSA-N 444.965 5.744 30 20 IKED C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 731399911 IKGMJJDFNBIOKK-FGTMMUONSA-N 446.617 5.238 30 20 IKED O=C(Nc1cccc(/C=C/C(=O)c2ccc(C(F)(F)F)nc2O)c1)c1ccccc1Cl 731564537 IOSHMDFKDLSCLB-CSKARUKUSA-N 446.812 5.608 30 20 IKED C=CCOc1ccc(/C=C/C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)cc1OC 733876211 ASUVDGWEHOTKFP-CSKARUKUSA-N 440.609 5.433 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccccc2SCCC#N)c(Cl)c1 740784925 WWWQGANEVWLSHO-UHFFFAOYSA-N 431.945 5.945 30 20 IKED C[C@@H](C#N)Oc1ccc(/C=C(\Cl)c2ncc(-c3ccccc3Br)o2)cc1 741842712 MOMWUBPGBNYVNQ-VQIMKDEXSA-N 429.701 6.132 30 20 IKED C[C@@H](Oc1cccc(Br)c1)C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 744037170 OURBFTSIZRXMAC-CXAGYDPISA-N 427.323 5.216 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1C(F)(F)F 744061165 HUDUVNXHZDRVHI-CXAGYDPISA-N 425.435 5.681 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)[C@@H](Oc3ccc(Cl)cc3)c3ccccc3)o2)cc1 744881975 SAFVMMCBLWSWAA-QFIPXVFZSA-N 445.862 5.125 30 20 IKED CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2cc(C#N)cs2)NC(=S)N1c1ccccc1 747959609 BJDOIDPWDKDLOG-QFIPXVFZSA-N 444.585 5.277 30 20 IKED CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 748941621 GSXPHPNJZZQWBR-AREMUKBSSA-N 443.547 5.342 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(Oc2ccccc2)o1 749025490 HGUQRXCUKJPCSP-HXUWFJFHSA-N 438.439 5.825 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(OCC(F)(F)F)c2C)cc1C#N 752225456 YBHYQSNVRMCSBE-UHFFFAOYSA-N 436.390 5.020 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1 753530953 BUERSEHLUQOGEU-HNNXBMFYSA-N 426.259 5.142 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1NCC(=O)N(CCC#N)c1cccc(C)c1C 753908333 IXMZFROYKMWBKC-UHFFFAOYSA-N 436.556 5.318 30 20 IKED C#CC[C@H](NC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1)c1ccccc1 757777103 FMJRNRGSOUHIPS-QHCPKHFHSA-N 449.913 5.295 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(-c3ccccc3)c(C)c2)ccc1OC 762946239 DSCOIWULXBKSEZ-JOCHJYFZSA-N 429.520 5.673 30 20 IKED C[C@@H](c1ccsc1)N1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 765138149 JZXXBIAXUHMOAP-YADARESESA-N 430.577 5.314 30 20 IKED CCc1noc(CC)c1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 766258511 FWKLBENCEXWELO-CQSZACIVSA-N 434.348 5.649 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2cccc(OCc3cccnc3)c2)cc1 770645636 VNSVOSAZXAJVPW-MHZLTWQESA-N 433.511 5.497 30 20 IKED CC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)[C@@H](O)c1ccccc1 775598509 FVVHRMJXDXHSQJ-ZCYQVOJMSA-N 429.520 5.079 30 20 IKED CC[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)CC[C@@H]1NC(=O)OC(C)(C)C 778395376 NGOPVXMWWLFRSM-RXVVDRJESA-N 449.551 5.116 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1Br 780610800 ORLOZPLMYDHATD-SNVBAGLBSA-N 444.207 5.283 30 20 IKED CCN(CC)[C@H](CNC(=O)Nc1ccccc1O[C@@H](C)C#N)c1ccc(C(F)(F)F)cc1 780675861 HTONXLWFAQSMRD-OXJNMPFZSA-N 448.489 5.201 30 20 IKED C=CCn1c(SCC(=O)O[C@H](C)c2cccc(C#N)c2)nnc1-c1ccc(Cl)cc1 781867522 YXJQULBFTVNRMN-OAHLLOKOSA-N 438.940 5.053 30 20 IKED C[C@@H](NC(=S)Nc1ccc2c(c1)OCCCO2)c1ccc(-c2cccc(C#N)c2)cc1 782203186 DGUHVIXXFKUSHM-QGZVFWFLSA-N 429.545 5.434 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 787051993 WOPHTYJBPKRXFU-UHFFFAOYSA-N 448.281 5.156 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)Cc1c[nH]c2cc(Cl)ccc12)c1ccc(Cl)cc1Cl 787054843 XFPIAPSMHTYBRT-APPDUMDISA-N 448.737 5.257 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(O[C@@H](C)c3ccccc3)cc2)cc1Cl 788351533 MUSMMKLAWZSJCX-HRAATJIYSA-N 448.906 5.450 30 20 IKED CC(C)(C(=O)[C@H](C#N)c1nc2ccccc2s1)c1csc(-c2c(F)cccc2F)n1 796714437 OIXUSAJWOGBAPC-LBPRGKRZSA-N 439.512 5.852 30 20 IKED CCCCC[C@@H](C)n1c(SCCCC2(C#N)CCOCC2)nc2ccccc2c1=O 798366157 LPLBMNBIKLCYEH-LJQANCHMSA-N 427.614 5.730 30 20 IKED COc1cccc(NC(=O)/C(=C/c2ccc(-c3cnn(C)c3)s2)C(=O)c2ccccc2)c1 800792766 XIZLQBGFINZHSC-HYARGMPZSA-N 443.528 5.062 30 20 IKED O=C1/C(=C/c2cccc(/C=C3\Cc4nc(Cl)ccc4C3=O)c2)Cc2nc(Cl)ccc21 806577096 MUFCXQZYZWAZFF-KAVGSWPWSA-N 433.294 5.428 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1 810423057 KFHWWEFLIXHJGH-UHFFFAOYSA-N 427.570 5.289 30 20 IKED CC(=O)[C@H](OC(=O)[C@H](C)Sc1cc(C)c(C#N)c2nc3ccccc3n12)c1ccccc1 824076497 SQTHUMIBVYKRBW-SBUREZEXSA-N 443.528 5.022 30 20 IKED N#Cc1cc(-c2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)co1 904670742 QIDOTZXCMXJJOQ-UHFFFAOYSA-N 432.745 5.728 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 915086368 UUCDHHXKXTXZFN-RUZDIDTESA-N 443.506 5.449 30 20 IKED C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915101032 BDNPDZKQNSPLSQ-SJKOYZFVSA-N 443.937 5.729 30 20 IKED CCc1ccccc1NC(=O)CN(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915352446 ILMSNMPMCXRVNR-HSZRJFAPSA-N 426.520 5.007 30 20 IKED Fc1ccccc1-c1nnc(S)n1N=Cc1cn(Cc2ccccc2)c2ccccc12 916319729 JMNIZYPRAGNONR-UHFFFAOYSA-N 427.508 5.258 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(-c2nc3ccccc3s2)o1 916916545 VRXPONRXUFBISW-KRWDZBQOSA-N 437.480 5.671 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cccc(OC(F)F)c2)cs1 917559318 HUZKGTFOFXGGRY-FLIBITNWSA-N 428.460 5.634 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cccc(C(F)(F)F)c2)cs1 917561401 GMSKPHZVUAGPJN-FLIBITNWSA-N 430.451 6.051 30 20 IKED COc1ccc(-c2nc(SCCCOc3cccc4ccccc34)nc(O)c2C#N)cc1 918157121 BHIZVNNCKSDDPD-UHFFFAOYSA-N 443.528 5.444 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCN(c4ccc(Cl)cc4)C3=O)n2)cc1 920110555 OAGSKENJWXDIFI-OALUTQOASA-N 435.936 5.001 30 20 IKED CNC(=O)C[C@H]1SC(=Nc2cccc(C(C)C)c2)N([C@@H](C)c2ccc(C)s2)C1=O 920168891 PCGSGCJNAIXSSL-HNAYVOBHSA-N 429.611 5.009 30 20 IKED Cc1ccc(CN(Cc2ccc(C#N)cc2OC(F)F)c2ccc3nc(O)[nH]c3c2)cc1 1167789811 XXJWKQMHCXSNLK-UHFFFAOYSA-N 434.446 5.257 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H](c4ccccc4)N(CC)CC)CCC3)cc2)C1 1785810112 ADDSRDJVLDNRQU-VWLOTQADSA-N 445.607 5.170 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccccc3)CCC2)cc1 1785934915 JZUCLATVOOOSLU-UHFFFAOYSA-N 438.531 5.046 30 20 IKED N#CCC(=O)NC1(c2ccc(NC(=O)CCCc3ccc(C(F)(F)F)cc3)cc2)CCC1 1786326981 FMHLBJCFGWGVFT-UHFFFAOYSA-N 443.469 5.076 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(OC)cc3)cc2)CCC1 1786331473 OPVLXUONTDSACO-LOSJGSFVSA-N 444.575 5.126 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ncc(F)cc3F)cc2)CCC1 1786533377 JPXBSLHWDHINCN-UHFFFAOYSA-N 427.495 5.100 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cn(C(C)C)cc3C(F)(F)F)cc2)CCC1 1788727004 DMCRCSVGJHKGHO-UHFFFAOYSA-N 445.485 5.249 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4c(F)cccc34)cc2)CCC1 1789338253 MHUDEBYRFPNKOB-LJQANCHMSA-N 446.526 5.218 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4[nH]ncc34)CCC2)cc1 1789452080 YYFUOSXNJRZWQA-HXUWFJFHSA-N 428.536 5.079 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cnc(Cl)s3)cc2)CCC1 1789860696 GWNBRNFVGWOPKR-UHFFFAOYSA-N 429.973 5.313 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@H]4c4ccccc4)CCC3)cc2)c1 1790258048 BDJUFJONWOSVOW-DQEYMECFSA-N 435.527 5.110 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C/C3CCCCC3)cc2)CCC1 1790517879 MMQYRUSJRCWTAF-JVVYVMHDSA-N 425.573 5.058 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccsc2)n[nH]1 1815980227 IRBVAIIDJAIOKE-JBVUFVISSA-N 426.586 5.169 30 20 IKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC2CCC2)[nH]n1 1819383941 AEXSWIWFIMTWNP-OAQYLSRUSA-N 442.680 5.033 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnc(CCCCC)s3)CC2)C1 1823702944 HEEUSAZIRIONNC-OAQYLSRUSA-N 443.657 5.075 30 20 IKED CCc1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2ccccc2Cl)cc1 10825807 MIYBIWXEIIEHAG-UHFFFAOYSA-O 440.932 5.149 30 20 IKED C=CCN(C(=O)c1cccc(C(F)(F)F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14724203 IDNLTAYIMYFEAM-UHFFFAOYSA-N 433.411 5.570 30 20 IKED O=C(/C(=C(\S)Nc1cccc2ccccc12)[n+]1cccc(CO)c1)c1ccc(Cl)cc1 24033682 VCYSLGUIBHALHL-UHFFFAOYSA-O 447.967 5.324 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 25613878 AHPRUJMHOJUYTK-UHFFFAOYSA-N 425.448 5.147 30 20 IKED Cc1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cnn1-c1ccc(F)cc1 32290956 DJIZBGCYJGSAGG-UHFFFAOYSA-N 426.451 5.023 30 20 IKED N#CCCn1cc(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)c2ccccc21 57795255 UNMHRIGDKYQCMZ-UHFFFAOYSA-N 447.589 5.109 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccccc4Cl)c3)n2)cc1 64792738 ADTCGTYIOLTPDP-QGZVFWFLSA-N 429.892 5.011 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(C3CC3)no2)nc2cc(-c3ccccc3)sc2c1=O 108154163 GYXSAIGDPAMGJC-ZDUSSCGKSA-N 436.562 5.425 30 20 IKED N#CCCC[C@@H](NCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)c1ccccc1 433019060 KYIBWILSSCAWEL-CTNGQTDRSA-N 448.617 5.512 30 20 IKED C[C@H](NC(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1nc(C(F)(F)F)cs1 433228412 WDSWNXNKJTZQQM-LURJTMIESA-N 449.323 5.665 30 20 IKED N#Cc1ccc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)c(OC(F)F)c1 439531758 JLGPUXNLYKEMMJ-UHFFFAOYSA-N 438.459 5.352 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1cccc(Oc2ccc(C#N)cc2)c1 439605027 VKJOVVOKZFWQGG-IBGZPJMESA-N 440.503 5.106 30 20 IKED Cc1cc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1C1CC1 441791442 CTZGCXCRPGQKEG-QHCPKHFHSA-N 443.934 5.759 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1nc2ccccc2o1 442685125 YHCDDOUBCHMDJX-LLVKDONJSA-N 425.231 5.207 30 20 IKED N#Cc1cccc(-c2nnc(COc3c(Cl)ccc(Cl)c3Br)o2)c1 443402531 YPFMKBHVHBPLDF-UHFFFAOYSA-N 425.069 5.257 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)cc1 460360552 FDQWVFOBMOPOJP-DEOSSOPVSA-N 445.500 5.341 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1 461673823 LOVDZTALWVFPDQ-AWEZNQCLSA-N 426.398 5.122 30 20 IKED C[C@@H](NCc1nc2ccc(Br)cc2o1)c1ccc(-c2cccc(C#N)c2)cc1 463155807 PPKUWTHNVVWBEA-OAHLLOKOSA-N 432.321 5.980 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1cccc(NC(=O)c2ccccc2)c1 467800452 YSKCSDOULDILIY-GOSISDBHSA-N 445.544 5.351 30 20 IKED CCCc1c(NC(=O)c2c(-c3ccccc3)noc2CC)cnn1-c1cccc(C#N)c1 476928810 BWOXEJFSHKJKFU-UHFFFAOYSA-N 425.492 5.166 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1cnc2ccccc2n1 483222051 BCPZNFKQYQCASS-QGZVFWFLSA-N 439.862 5.219 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccccc1CN(C)c1ccccc1 483757495 MQERIOYXJVNVQV-UHFFFAOYSA-N 431.584 5.711 30 20 IKED COc1cccc([C@H]2CN(C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)CCO2)c1 484828086 IKASNKQAJQYYQB-XMMPIXPASA-N 448.906 5.226 30 20 IKED CCCc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2Cl)c2cccs2)cc1 490393633 MQBSRLSSFBYYTP-OAQYLSRUSA-N 437.952 5.070 30 20 IKED CCSc1ccc([N+](=O)[O-])cc1C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 490720058 OHYIHDVWLQHIFE-KRWDZBQOSA-N 439.518 5.329 30 20 IKED CCn1c(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)nc2cc(C#N)ccc21 490818673 KHWOCBFSUOKKSV-UHFFFAOYSA-N 432.915 5.143 30 20 IKED Cc1cc([C@H](C#N)C(=O)c2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)nc(C)n1 496127941 IEKDFTGSJMQNBV-QHCPKHFHSA-N 436.471 5.563 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3c(O)c(Cl)cc(Cl)c3Cl)o2)cc1 496844410 CSWCSPFBTUFQKK-UHFFFAOYSA-N 437.666 5.648 30 20 IKED CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C1CCN(Cc2ccccc2)CC1 499377640 MKHHHKYILMIRDZ-UHFFFAOYSA-N 425.532 5.087 30 20 IKED Cc1cc(C)c(C(=O)CCCC(=O)N[C@@H](C#N)c2ccc(Br)cc2)c(C)c1 499410128 YYEQGRUALOBIAV-IBGZPJMESA-N 427.342 5.108 30 20 IKED COc1ccc([C@@H](NCCCC2(C#N)CCOCC2)c2ccc(C(F)(F)F)cc2)cc1 499621495 ZXQABAUZQIVJCK-QFIPXVFZSA-N 432.486 5.494 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(COCc2ccccc2)c1 500809099 UFKYIXLVKTXLAO-UHFFFAOYSA-N 427.548 5.397 30 20 IKED Cc1ccc(-c2cc(C(=O)N(CCC#N)Cc3ccco3)c3cnn(C(C)C)c3n2)s1 502577257 QTLBENGWAVWZIC-UHFFFAOYSA-N 433.537 5.198 30 20 IKED C=CCn1c(SCc2ccc(C(=O)Nc3ccccc3)cc2)nnc1-c1cccnc1 503735279 NMEFMCXDQQAUTA-UHFFFAOYSA-N 427.533 5.071 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Cc3csc(COc4ccc(Cl)cc4)n3)CC2)cc1 503978977 INWIDDLDRAMVPL-UHFFFAOYSA-N 449.963 5.106 30 20 IKED N#C[C@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)c1cccc(Cl)c1Cl 505325321 HQCNDSFFHAZTDP-INIZCTEOSA-N 436.751 5.694 30 20 IKED Cn1cc(Oc2ccccc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cn1 509506200 IPQFSVIOHQTFQP-UHFFFAOYSA-N 442.450 5.054 30 20 IKED CC(C)N(Cc1ccccc1F)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 509942451 ITSDWPSYQFFLQF-UHFFFAOYSA-N 435.474 5.858 30 20 IKED N#CC1(CCCSCc2ccnc(-c3ccc(Br)cc3)n2)CCOCC1 510108367 CMZBNKVWNITVAC-UHFFFAOYSA-N 432.387 5.240 30 20 IKED CCCN(CC)Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 511783161 DDCDVDFWWOLBEP-UHFFFAOYSA-N 440.547 5.295 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)c1ccc(C#N)cc1 512512997 CWMJPCKZRPWKNQ-AWEZNQCLSA-N 426.398 5.647 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cccc(F)c2Sc2ccccc2)n1 512723940 AGLWNLUMPSDILY-OAHLLOKOSA-N 426.494 5.100 30 20 IKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[C@H](C#N)c1nc2ccccc2s1 513660011 JFUWUUVZWIYOCZ-NSHDSACASA-N 428.300 6.057 30 20 IKED CN(C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 514631527 WWFWNYVYDLVLEE-OTVXOJSOSA-N 444.391 5.688 30 20 IKED CC(C)CN(C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1ccc(C#N)cc1 515372139 XPIQMEWCFMUNGJ-UHFFFAOYSA-N 439.968 5.479 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3-c3ccccc3C#N)c2)c1 515676767 ZYJCKBYXBUHSIA-UHFFFAOYSA-N 442.478 5.602 30 20 IKED CCc1ccc(N(C(=O)[C@H](C)Oc2ccccc2C#N)c2nc3ccccc3s2)cc1 518189440 VCLKGVZLXGSKSK-KRWDZBQOSA-N 427.529 5.863 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccccc4F)n3)n2)cc1 518885699 PAWRGFVIVRCGOA-INIZCTEOSA-N 430.489 5.434 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(OCc4ccccc4F)cc3)cc2)nc1 518908192 QRQDZFJRNNCHAA-UHFFFAOYSA-N 439.446 5.716 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ncc(-c3ccccc3)o2)cc1Cl 520476830 NDFHOXHVSMUHQI-OAQYLSRUSA-N 442.906 5.972 30 20 IKED Cc1cc(Br)ccc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 521261270 PFLUYRTVDRMLFK-ZDUSSCGKSA-N 433.277 5.649 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 521608028 XFEMUYGZQPBVPO-UHFFFAOYSA-N 443.337 5.252 30 20 IKED COc1cc(CSc2nnc(C3CC3)n2C2CC2)ccc1OCc1cccc(C#N)c1 522573114 GMBMSADGCYKZEZ-UHFFFAOYSA-N 432.549 5.242 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1cc(O)ccc1C(F)(F)F 526986165 GQZYCZJMLPRSIB-UHFFFAOYSA-N 425.300 5.080 30 20 IKED Cc1cc(OC(C)C)ccc1NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 527110836 HEZFWUJFKXLMOV-UHFFFAOYSA-N 429.476 5.023 30 20 IKED CCN(Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1)[C@H](C)c1ccc(C#N)cc1 533774322 DFVJUXYRLOPWKG-MRXNPFEDSA-N 438.984 5.936 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CNC1(c2cccc(C(F)(F)F)c2)CCC1 540456504 WKDGUOSNGJXLDS-MRXNPFEDSA-N 447.526 5.565 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 540463036 CFOZCQIOCAPZNL-REWPJTCUSA-N 434.948 5.623 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N(Cc3cccs3)Cc3cccs3)n2)c(F)c1 542032028 FWHGQZDFYFERAE-UHFFFAOYSA-N 437.525 5.240 30 20 IKED CN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 543594833 PGZDOBZHZSKFKT-RSXGOPAZSA-N 444.506 5.269 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl 551285370 SYEXVXSFYMVMND-UHFFFAOYSA-N 426.988 6.107 30 20 IKED N#Cc1ccc(C(=O)CNC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)cc1 552322982 LSFIONZZLVSHCQ-UHFFFAOYSA-N 444.487 5.349 30 20 IKED FC(F)C(F)(F)COCc1noc(-c2ccc(-c3ccccc3OC(F)(F)F)o2)n1 557516605 LECDSCOFEOKGJO-UHFFFAOYSA-N 440.271 5.312 30 20 IKED CC(C)(C)c1ccc(Oc2ccc(C(=O)N3CCC(C#N)(c4ccccn4)CC3)cn2)cc1 558594078 AJSOHPZBRCMLTN-UHFFFAOYSA-N 440.547 5.264 30 20 IKED C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 558625723 CEOVCNRYSXEVDT-QHCPKHFHSA-N 444.501 5.204 30 20 IKED Cc1nc(-c2cc3c(s2)CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C3)cs1 560837404 XGCPZUOOHDWUPF-UHFFFAOYSA-N 425.583 5.198 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCCOc1cccc(Br)c1 561408856 UUCYWPVNXKWZPL-CQSZACIVSA-N 434.359 5.044 30 20 IKED COc1cc(CNC(=O)N(C)[C@@H](C)c2ccc(-c3ccccc3OC)cc2)ccc1C#N 562250254 JNXKTEUDNKHDPT-SFHVURJKSA-N 429.520 5.145 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N[C@@](C)(C#N)C1CCCCC1 568550307 FWTUWLVCAGDTLB-QFIPXVFZSA-N 447.963 5.694 30 20 IKED CCCCN(C(=O)c1cccc(C#N)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 589743018 XPZXWHJLRBTBCD-UHFFFAOYSA-N 431.348 5.830 30 20 IKED CCOc1c(Br)cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1OC 602755722 MQWWCEMXHLGZGD-LLVKDONJSA-N 449.370 5.167 30 20 IKED O=C(c1csc(-c2c(F)cccc2F)n1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 604962021 AEGSRIQJNSRSPJ-UHFFFAOYSA-N 430.320 5.045 30 20 IKED C=C(C)CN1CCC(NC(=O)N(C)[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)CC1 606923156 OPEYKWTUUPXUCY-IBGZPJMESA-N 426.630 5.170 30 20 IKED COc1ccc([C@H](NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c2ccc(F)cc2)cc1 608917986 HTUKCASHOGZHEV-RUZDIDTESA-N 431.511 5.416 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1C#N 608966845 ZXJVGFSYNYWYMN-LJQANCHMSA-N 448.375 5.073 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 609377704 ZXNZSODZYWOFRS-HOTGVXAUSA-N 448.514 5.207 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)Nc1ccccc1S[C@H](C)CC#N 609439061 VWFWERXBNITMAS-NVXWUHKLSA-N 436.606 6.396 30 20 IKED COc1ccc(-c2nc3c(s2)[C@H](NCc2cccc(OCCCC#N)c2)CCC3)cc1 609467234 LHPVNSNYFLEESN-JOCHJYFZSA-N 433.577 5.668 30 20 IKED CC[C@H](c1ccccc1)N(CC(C)C)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 609509707 LTUKFQXMSJXBCA-HSZRJFAPSA-N 426.582 5.014 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3cc4ccccc4n3CC#N)s2)cc1 609608698 KKFJSWRNWLQWLE-HNNXBMFYSA-N 430.533 5.096 30 20 IKED Cc1cccc(OC(F)F)c1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 609724541 ZCSLYLSVBQJDDO-UHFFFAOYSA-N 428.822 6.166 30 20 IKED N#CCCN(C(=O)CCC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1)c1ccccc1 609763398 VGKACZCFWYOHCA-HSZRJFAPSA-N 437.971 5.511 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 609785144 LDBAGODVTRZXBD-UHFFFAOYSA-N 435.867 5.189 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)s1 610053503 IMSWOGFMGNSLDW-UHFFFAOYSA-N 433.562 5.035 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 615584160 AKCHNUPLENXQNO-UHFFFAOYSA-N 427.863 5.545 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(OC(F)F)c(OCC)c1 616133407 TUNIKKZPLFUHGJ-UHFFFAOYSA-N 430.904 5.299 30 20 IKED O=C(NCc1ccc(C(F)(F)F)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642674022 LJBREPQCXYJRBT-ITGUQSILSA-N 436.318 5.414 30 20 IKED O=C(NCc1ccc(C(F)(F)F)cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642674023 LJBREPQCXYJRBT-RYUDHWBXSA-N 436.318 5.414 30 20 IKED C=CCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1cc(OC)c(OC)c(OC)c1)CCC2 651690312 QZPARYTVZUSSPN-JXAWBTAJSA-N 444.531 5.053 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(Br)c(F)cc1Cl 672701625 DUROLFJCIGKWMI-UHFFFAOYSA-N 443.748 5.629 30 20 IKED O=C(Nc1ncc(Cc2cccc(F)c2)s1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674418738 OUWQHRGXDLLZJE-BETUJISGSA-N 441.372 5.078 30 20 IKED O=C(N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 684296234 DCQCGMKMQPKHGC-HGTKMLMNSA-N 426.376 5.234 30 20 IKED COc1ccc(-c2ocnc2C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 685143030 HQUYZOWOVFZFDP-CQSZACIVSA-N 443.406 5.469 30 20 IKED CC(C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccccc1N/C=C\C(=O)C(F)(F)F 728981737 ZBSUPAMCXGOGTO-WIDZWVOGSA-N 448.441 5.051 30 20 IKED CC(=NNc1ccc(S(C)(=O)=O)cc1)c1c(F)cccc1O[C@@H](C)c1ccccc1 730145331 UPYIEGIVJANYMN-KRWDZBQOSA-N 426.513 5.205 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc2cc(Cl)ccc2n1C 730953521 IHFBSLRRVHULBE-CYBMUJFWSA-N 430.986 5.352 30 20 IKED Cc1ccc(N2C(=O)/C(=C/Nc3ccccc3SCCC#N)c3ccccc3C2=O)cc1 730996186 QAAQBTXPPJHFHC-OQKWZONESA-N 439.540 5.641 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2cc(Cl)ccc2o1 731064024 SEVNBRVVGXRUEL-ZDUSSCGKSA-N 428.897 5.276 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(OC2CCCC2)cc1 731072619 AJZMULVCHSLQFE-QGZVFWFLSA-N 438.549 5.198 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1c[nH]c2cc(Cl)ccc12 731078089 MTAHFENRHAZWIE-ZDUSSCGKSA-N 427.913 5.011 30 20 IKED O=C(Nc1cccnc1)/C(=C/c1ccc(OC(F)F)c(Cl)c1)C(=O)c1ccccc1 731489358 DPORTYUHXUZOPB-GZTJUZNOSA-N 428.822 5.241 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)C2(c3cccc(Cl)c3)CCCCC2)ccc1OC 733229474 CXRRAITTYOCSOH-NRFANRHFSA-N 440.971 5.548 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)c1 733630294 ORHJWDLCAQCYLV-UHFFFAOYSA-N 430.961 5.220 30 20 IKED FC(F)(F)c1ccccc1C=NOCc1nc(-c2ccc(Br)s2)no1 733998452 XSYPVOXQOFJASY-UHFFFAOYSA-N 432.221 5.130 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3sc4cc(Br)ccc4c3Cl)[nH]c12 735787715 DOYQLVKBXMIDDT-LBPRGKRZSA-N 444.741 5.992 30 20 IKED FC(F)(F)c1cc(NN=Cc2ccc(N3CCCCC3)s2)nc(-c2ccncc2)n1 735977164 YADKLXNGESTMRZ-UHFFFAOYSA-N 432.475 5.055 30 20 IKED Cc1oc(-c2ccccc2F)nc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 739144859 YOAWOLFFUQCBRH-OAHLLOKOSA-N 445.422 5.065 30 20 IKED Cc1ccnc(-c2cccc(NC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)c2)n1 740453493 DSMWGSOHEVTSBI-UHFFFAOYSA-N 425.517 5.374 30 20 IKED O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1cccc(-c2ccncc2)c1 741472813 KMXOKZMFYCKTGM-VAWYXSNFSA-N 442.522 5.952 30 20 IKED CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1 741569879 INNRDFDXKVKCTD-UHFFFAOYSA-N 437.952 5.465 30 20 IKED Cc1ccc(Sc2ncccc2C(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)c(C)c1 741829038 JBIMGRBUHGAYRK-UHFFFAOYSA-N 442.500 5.128 30 20 IKED CN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc(Br)nc1 742814728 QIWNBEWJDWREHT-UHFFFAOYSA-N 442.700 5.438 30 20 IKED Cc1nnc(SCc2c(C(=O)OCc3ccc(C#N)cc3F)oc3ccccc23)s1 742956577 WCIKJUCFOFKLBG-UHFFFAOYSA-N 439.493 5.253 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(CSc3cc(C)ccc3C)c2)cc1 744034066 ZCXITZNQIAOPFF-HSZRJFAPSA-N 444.556 5.566 30 20 IKED CCc1ccccc1O[C@H](C(=O)OCc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 744980965 KZDIXGFRWSRCOZ-DEOSSOPVSA-N 439.471 5.034 30 20 IKED CCOc1cc(C#N)ccc1OC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1 746174652 NKHHEUQMOZEFKK-UHFFFAOYSA-N 425.444 5.202 30 20 IKED CC(C)c1nnc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)o1 747109351 PIKGCAYPUNKQTK-ZDUSSCGKSA-N 435.336 5.432 30 20 IKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)O[C@@H](C)C(C)(C)C#N 753613675 PMJAYLJNAZVWBP-KBPBESRZSA-N 441.578 5.167 30 20 IKED COCCCOc1cc(C)ccc1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 755776438 MQHDDMOZJIQWGE-VWLOTQADSA-N 443.547 5.388 30 20 IKED CC(C)(C)Oc1cccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)n1 758519134 PTVFIEPWZVZNAS-LJQANCHMSA-N 430.533 5.063 30 20 IKED C[C@H](OC(=O)c1cc(F)c(C(F)(F)F)c(F)c1)C(=O)Nc1ccccc1C(F)(F)F 758856315 JRQKSTISOPYEJK-QMMMGPOBSA-N 441.274 5.186 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1 762024246 ILDHNFKHJINMCJ-LJQANCHMSA-N 429.863 5.274 30 20 IKED CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 764563183 UUBHYJWRPAGAAQ-LSDHHAIUSA-N 445.972 5.163 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@@H]2c2ccccc2Cl)c1=S 764898384 FRYQMXKEZSBBDD-HXUWFJFHSA-N 425.989 5.500 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 768140347 NSNQJWMLLHPGBQ-MRXNPFEDSA-N 433.726 5.195 30 20 IKED O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)nc1O 771860510 QVOIBEMTKSWIQL-HNQUOIGGSA-N 429.238 5.740 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 772117816 MMVYYQKQUXLSCA-PKOBYXMFSA-N 439.581 5.185 30 20 IKED N#Cc1ccc(CN2CCC(Nc3cccc(CC[C@@H](O)c4ccccc4)c3)CC2)cc1 777674451 GEDOMNSPXSLXHG-MUUNZHRXSA-N 425.576 5.301 30 20 IKED CC(=O)N1C/C(=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)c2ccccc2C1 778520147 OZPJBHHPRYJIJA-UUASQNMZSA-N 427.344 5.353 30 20 IKED C[C@H](NC(=O)C(C)(C)[C@@H](O)c1ccc(OCc2ccccc2)cc1)c1ccc(C#N)cc1 778576390 JRLBNXKIANIZFW-DFBJGRDBSA-N 428.532 5.074 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1 780682389 VFKZNDMUJXZIQG-IBGZPJMESA-N 431.540 5.244 30 20 IKED CN(Cc1ccccc1)Cc1cccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)c1 784831141 IMVLGRDULONVIQ-SANMLTNESA-N 447.538 5.433 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCc1ccc(Cl)nc1C(F)(F)F 786728973 LHFQZMRTKOVWFV-UHFFFAOYSA-N 440.878 5.403 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(SCc3ccc(C#N)cc3Cl)o2)C1 795249305 LTSKWVIVRPJJRV-AWEZNQCLSA-N 434.949 5.001 30 20 IKED C[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 795994332 XJLCGWXKFGAZLE-ZFWWWQNUSA-N 438.833 5.317 30 20 IKED COc1ccc(C(=O)C[C@@H](C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 796809447 AJBVGLHVWYMSSH-MLGOLLRUSA-N 446.450 5.409 30 20 IKED C[C@H](CC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)C1CCN(C(=O)OC(C)(C)C)CC1 797568049 OBVCJSRWBACLOK-WBVHZDCISA-N 433.618 5.290 30 20 IKED C#C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1)c1ccc(F)cc1 813041595 MRJRWJPZUJOTGW-SBUREZEXSA-N 432.520 5.108 30 20 IKED COc1cc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2F)cc(Br)c1OC(F)F 814191633 RRZHWYDVFGYTEI-GORDUTHDSA-N 446.175 5.003 30 20 IKED CC(=NNc1c(F)cc(C(=O)NC2CC2)cc1F)c1sc(-c2ccc(F)cc2)nc1C 814872100 SCGMIKWTHCPYOK-UHFFFAOYSA-N 444.482 5.264 30 20 IKED N#C[C@@H](C(=O)CCc1cnn(-c2ccccc2)c1)c1nc(-c2ccc(Cl)cc2)cs1 915101827 LZMVYYLVMSULCX-FQEVSTJZSA-N 432.936 5.458 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCC[C@@H]2c2cccs2)c1=S 915840014 PYFLZFBONKGBOS-GOSISDBHSA-N 447.029 5.689 30 20 IKED COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915862828 PDJCDOOVYOWRGR-XMMPIXPASA-N 442.515 5.351 30 20 IKED COc1cc(/C=C\C(=O)c2cc3cc(Br)ccc3o2)c([N+](=O)[O-])cc1OC 916130572 XCHXDKNRDPPLET-HYXAFXHYSA-N 432.226 5.017 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 916883044 FZSQCKLESDWVFF-CQSZACIVSA-N 447.444 5.085 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CSc2ccc(C(C)(C)C)cc2)cc1Cl 916940022 KBZHAIMFTFWXKX-KRWDZBQOSA-N 430.957 5.086 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CSc3ccc(Cl)cc3C2=O)cs1 917560013 PQQHRRNYDGLIMR-MDWZMJQESA-N 444.940 5.992 30 20 IKED CC(C)NC(=O)Nc1ccc(C(=O)/C=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 918156986 YRKGRXSCSONIIS-QPEQYQDCSA-N 436.512 5.011 30 20 IKED C[C@H](OC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)C(=O)Nc1sc2c(c1C#N)CCCCC2 919368722 IKSXLNMLUYYALW-MJBXVCDLSA-N 442.503 5.128 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3coc4ccc5ccccc5c34)n2)cc1 920141903 IQVLXPZNLAMQCY-OAQYLSRUSA-N 438.508 6.137 30 20 IKED CCOC(=O)c1sc(NC(=O)c2ccc(C3SCCCS3)cc2)c(C#N)c1C 921192860 CYVSYISZAPCWBR-UHFFFAOYSA-N 432.592 5.226 30 20 IKED C[C@H](SCc1nc(O)c2ccccc2n1)C(=O)Nc1sc(-c2ccccc2)cc1C#N 1125245811 XYLPXWFCRCEOSL-AWEZNQCLSA-N 446.557 5.196 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cnc(C)s3)CCC2)cc1 1789454883 ISCQRXLGRRXSJR-GNNUASRNSA-N 435.593 5.367 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccnc4ncccc34)CCC2)cc1 1789457957 IEQKCPJDBZJJBW-NRFANRHFSA-N 440.547 5.146 30 20 IKED COc1c(C(=O)Nc2ccc(C3(NC(=O)CC#N)CCC3)cc2)cc2ccccc2c1Cl 1790092580 SETLFRJJDCXMCE-UHFFFAOYSA-N 447.922 5.163 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5ncccc5c4)CCC3)cc2)c1 1790257348 VSAKNWOPUNPTAI-UHFFFAOYSA-N 446.510 5.168 30 20 IKED C[C@@H](C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CCC1)c1cccs1 1790290755 CWPRPSDGOKBBOQ-QGZVFWFLSA-N 429.545 5.171 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccccc4)CCC3)cc2)cc1 1790706174 JWYJJTBRFMJVFE-UHFFFAOYSA-N 437.543 5.133 30 20 IKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792123080 IDDBCZAYHYHTKA-VGSWGCGISA-N 435.593 5.016 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](CC)c2ccccc2)[C@H]1c1cccnc1 1806273603 GTBMNTAVOUUQHJ-UBFVSLLYSA-N 447.623 5.274 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C)cccc2C)[C@H]1c1cccnc1 1810504033 VIQYJOZTEARAHD-UPVQGACJSA-N 433.596 5.010 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc(CCCCC)s2)n[nH]1 1821692239 DEUDBXYKKTUHCC-FUHWJXTLSA-N 443.617 5.117 30 20 IKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)[C@H](C)CC)[nH]n1 1822389945 OHCIFZHEAKSOPW-RZTXVSJASA-N 434.584 5.035 30 20 IKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(C)(C)C)s2)CC1 1824958905 IYDZXAQVUWVACV-IBGZPJMESA-N 448.698 5.198 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1831859819 ZCXMICKCLWNUMX-RUZDIDTESA-N 432.564 5.288 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)cccc2F)CC1 1832548283 OLHQEEZZEUFAPS-GGAORHGYSA-N 426.576 5.136 30 20 IKED C=CCn1c(SCC(=O)c2ccc(C#N)cc2)nc2scc(-c3cccs3)c2c1=O 19046415 BGUWXJKQAKKOPK-UHFFFAOYSA-N 449.582 5.219 30 20 IKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2cccs2)nnc1-c1ccc(Cl)cc1 21847438 CPCIRAFZZHBFSS-QGZVFWFLSA-N 445.013 5.302 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cccc(CC)c2)cc1 22732303 HNEBFGLHTJNKPM-UHFFFAOYSA-O 439.551 5.818 30 20 IKED C[C@H](OC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 22932299 JYASLGIMRJLPEO-VIFPVBQESA-N 448.928 5.300 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)Nc1ccc(C(C)(C)C#N)cc1 31756107 HMDIBUCOGIWARP-UHFFFAOYSA-N 441.362 5.778 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2Cl)C(C)C)nnc1-c1ccccc1 32316044 NPVAJKFNZCBKCF-IBGZPJMESA-N 426.973 5.540 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2sccc2Br)cc1 108739512 OIAGBIKQVOFQQE-UHFFFAOYSA-N 429.314 5.364 30 20 IKED Cc1cc(C)c(N2C[C@H](C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)CC2=O)c(C)c1 195664292 AFFVBTXTNJLMJW-WBVHZDCISA-N 437.952 5.104 30 20 IKED N#Cc1cc(F)ccc1CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 303233855 ZKNGSWRWFBZMRS-UHFFFAOYSA-N 444.491 5.025 30 20 IKED CC(C)(C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)c1csc(-c2cccs2)n1 410007071 NJPAHSCZTDSBIU-UHFFFAOYSA-N 434.508 5.336 30 20 IKED Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1 410355484 SWJPMJJYLFJROA-LJQANCHMSA-N 429.520 5.892 30 20 IKED C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 428909094 WFFPEPKLCKHTSR-OAHLLOKOSA-N 427.335 5.132 30 20 IKED C[C@@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1cccc(OCc2ccccn2)c1 431814914 PYHGUBKZCLBEEC-NLFFAJNJSA-N 428.536 5.456 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 432718567 PZAVWMZCVPJBCL-UHFFFAOYSA-N 434.883 5.146 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H](c3ccccc3)C2)cc1 432922036 JDNJDNNDFBDNJC-QHCPKHFHSA-N 425.532 5.743 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(CO)(c3ccccc3)CC2)cc1F 432987606 DWNOUEBHFGHUIU-UHFFFAOYSA-N 445.494 5.048 30 20 IKED CN(Cc1ccc(F)c(Cl)c1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 433505216 FOPXMRCKJWAXLH-UHFFFAOYSA-N 436.874 5.267 30 20 IKED CCCc1c(NC(=O)N(C)Cc2cc(Cl)ccc2F)cnn1-c1cccc(C#N)c1 434178652 XLNZRQZRHPTTSO-UHFFFAOYSA-N 425.895 5.153 30 20 IKED N#Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1C(F)(F)F 438769010 DNCFOCRQCREBQM-UHFFFAOYSA-N 428.741 5.050 30 20 IKED Cc1ccc(C)c(-c2csc(NC(=O)Cc3noc(/C=C/c4ccccc4C#N)n3)n2)c1 445419009 PPYNMKANIRCRQF-MDZDMXLPSA-N 441.516 5.033 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(-c3cccs3)nc2C)c1C#N 445570035 BXDKZYIFEYCBFW-UHFFFAOYSA-N 431.546 5.150 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 446517687 JSMSDAQVVRSYKY-UHFFFAOYSA-N 437.270 5.227 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1F)C1CCCC1 447025896 FIDVKWGELTVYMD-KSFYIVLOSA-N 439.556 5.064 30 20 IKED CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)c2cc(-c3cccc(C#N)c3)no2)n1 448252909 TWGCZISEVYTKQO-UHFFFAOYSA-N 447.882 5.367 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cnn(-c4ccc(C(F)(F)F)cc4)c3)cc2)nc1 448325497 PVIYQJGDFOCKDA-UHFFFAOYSA-N 449.392 5.202 30 20 IKED COc1ccc(-c2n[nH]cc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 461988735 MJGZOGMIXLVMEP-UHFFFAOYSA-N 440.459 5.010 30 20 IKED C[C@H](CCc1ccccc1F)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 463167325 CNJNVHDKRXPBIS-CQSZACIVSA-N 426.542 5.049 30 20 IKED COc1ccc(O[C@@H](C)CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 464142731 ROZXVOMDFHLKGJ-SFHVURJKSA-N 432.545 5.056 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 464231602 DDRJORCLNLQBTL-INIZCTEOSA-N 433.895 5.178 30 20 IKED COc1ccc(C2CCN(C(=O)c3cccc(COc4ccccc4C#N)c3)CC2)cc1 465387618 NYWZLDCOSDRPTJ-UHFFFAOYSA-N 426.516 5.166 30 20 IKED CSc1cccc([C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)c2ccc(F)c(F)c2)c1 466255708 QLRDMHCCLSLQEN-QHCPKHFHSA-N 437.515 5.489 30 20 IKED Cc1nc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)sc1Cc1ccc(Cl)cc1F 471155938 INOQLFVUAWGRJU-QGZVFWFLSA-N 438.915 5.027 30 20 IKED N#Cc1cccc(-c2nnc(CNc3ccc(Oc4cccc(C(F)(F)F)c4)cc3)o2)c1 471637344 WEVAVLMVSMQSBF-UHFFFAOYSA-N 436.393 6.031 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 473821879 ZBMHXTLGPAAVMR-ZHRRBRCNSA-N 436.968 5.898 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F 475386822 CWMKDJZYPRZNQU-HNNXBMFYSA-N 440.494 5.099 30 20 IKED COc1ccc(C[C@H](NC(=O)C[C@@H](CC#N)c2ccccc2)c2ccccc2)cc1OC 475583041 DQRWZKWBPCSVCF-RPWUZVMVSA-N 428.532 5.191 30 20 IKED N#CC[C@H](CC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1)c1ccccc1 475757584 MEGWZIFVLZUGNH-OAQYLSRUSA-N 438.531 5.303 30 20 IKED CC(C)(C#N)c1ccc(C(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)cc1 476449608 PSQZGEANLLPEPQ-UHFFFAOYSA-N 442.906 6.129 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(Br)c3C)n2)cc1 478535091 MNAHIVVHEPTIIM-CYBMUJFWSA-N 433.352 5.441 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1ncc(-c2ccccc2)[nH]1 478575728 YQTQTSWLDNYDLV-UHFFFAOYSA-N 437.503 5.713 30 20 IKED C=C(C)[C@@H](NC(=O)Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(F)c(F)c1 479927944 SQUGDBGXDQMKCJ-HXUWFJFHSA-N 427.476 5.718 30 20 IKED C=C(C)Cn1c(SCc2csc(-c3cccc(OC)c3)n2)nnc1-c1ccncc1 481352383 YRHANAUDMADZFC-UHFFFAOYSA-N 435.578 5.341 30 20 IKED C[C@@H](CC#N)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 484809900 LFMJTNNFDWVVRV-IYWFSZBXSA-N 426.476 5.052 30 20 IKED C=CCSc1ccccc1C(=O)N[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 485452628 CZNLWULFDBLJQI-GOSISDBHSA-N 434.561 5.438 30 20 IKED Cc1cnn(-c2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cc2)c1 487107854 IIFAJMXEAFFFPA-QHCPKHFHSA-N 426.907 5.742 30 20 IKED N#Cc1ccc(NC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1Br 487897504 OBUNYBMXOIAYCS-UHFFFAOYSA-N 441.354 5.342 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(Oc3ccccc3F)nc2)c1-c1ccccc1 488881310 SHJHAIQPBNMZDI-UHFFFAOYSA-N 427.439 5.042 30 20 IKED C=C(C)Cn1c(S[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1ccncc1 489452937 XXRSNOWFSYLPMV-KRWDZBQOSA-N 432.553 5.436 30 20 IKED C=CCn1c(SCc2ccc(Oc3ccccc3)nn2)nc2sc(C)c(C)c2c1=O 498018736 IQUNXIIBXCVESC-UHFFFAOYSA-N 436.562 5.135 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1nnc(-c2ccsc2)o1 500738177 LMXZKATWBJJEPY-UHFFFAOYSA-N 430.489 5.342 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 502917606 CHQRDTQAPITFMG-UHFFFAOYSA-N 445.993 5.204 30 20 IKED COc1cccc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)c1OC1CCCC1 503223122 CSFMZCHZMHJSKN-QGZVFWFLSA-N 439.581 5.733 30 20 IKED CC[C@H](C)n1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccccc1 504320459 HOWLJYSZCHBVKJ-AWEZNQCLSA-N 437.594 5.069 30 20 IKED CC(C)Oc1ccc(C#N)cc1N[C@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 504419414 NSYRTYKGSSYIDY-MRXNPFEDSA-N 448.548 5.098 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)N1CCC(C)(C#N)CC1 504425751 CAPFDOBJQQIQHR-AWEZNQCLSA-N 447.402 5.277 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F 506644670 WAIJYAZVDGUXGF-PIGZYNQJSA-N 429.414 5.784 30 20 IKED Cc1cc(Sc2ccccc2)ccc1NC(=O)N1CCN(c2ccccc2C#N)CC1 508284468 DZJRBEUBNZABHN-UHFFFAOYSA-N 428.561 5.372 30 20 IKED O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1OC(F)F 509652666 QBYPSTWSVOWZKS-UHFFFAOYSA-N 435.292 5.126 30 20 IKED Cc1cc(OC(F)F)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)s1 510861993 IWLPBLXQLHFTMH-UHFFFAOYSA-N 432.423 5.500 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 511323292 SWSXPQPDPZGDCC-RUZDIDTESA-N 445.950 6.354 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C 512052490 AUMFKRMNFJQBIO-IBGZPJMESA-N 434.609 5.606 30 20 IKED COc1cccc(CC(=O)N2CCc3ccc(N[C@@H](C)c4ccc(C#N)cc4F)cc32)c1 512287262 GWRANQRNXYMJQN-KRWDZBQOSA-N 429.495 5.011 30 20 IKED CC(C)(NC(=O)c1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 513715063 LFPLRYGLBACNMX-NRFANRHFSA-N 431.923 5.143 30 20 IKED CC[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccccc1OC(F)F 515374763 ARUUOGLSOWVKOL-SFHVURJKSA-N 442.491 5.480 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1ncc(-c2ccc(Cl)cc2)o1 517447455 GYIYYARYQKOWQO-AWEZNQCLSA-N 443.981 6.120 30 20 IKED Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cc2)n1 517461957 VCJBRMWAFASEGE-UHFFFAOYSA-N 444.482 5.766 30 20 IKED CC(C)(C)n1ccnc1SCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 517824405 SCVBSSOZVFFYGT-IBGZPJMESA-N 438.984 5.678 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 518140534 XICVXMNTCQKQDT-INIZCTEOSA-N 445.573 5.500 30 20 IKED N#Cc1cccc(CNC(=O)C(=O)Nc2ccccc2-c2ccc(-c3ccccc3)cc2)c1 518602800 NBIRNRFUOOICGV-UHFFFAOYSA-N 431.495 5.147 30 20 IKED N#CCCCOc1cccc(/C=C(\CC(=O)O)c2nc3cc(C(F)(F)F)ccc3s2)c1 518602833 OINTYTRLEZMIKX-XNTDXEJSSA-N 446.450 6.013 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1cccc2ccccc12 518673241 VOQLMFTXLXROPR-JOCHJYFZSA-N 429.545 5.148 30 20 IKED CCCN(C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[C@H]1CCc2ccccc21 519913692 LYDOWFWOIFMTMI-VWLOTQADSA-N 438.531 5.742 30 20 IKED CN(C)c1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1F 520094826 UBISNJQVDCOGKW-UHFFFAOYSA-N 448.445 5.082 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 521727637 YBMPJNOOYRNBTP-ZDUSSCGKSA-N 425.535 5.406 30 20 IKED CC(C)c1ccc(CN(C(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)C2CC2)cc1 521743075 ZVZDUOGCXRNIPC-SFHVURJKSA-N 435.593 5.191 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC3CCN(Cc4ccc(F)cc4)CC3)cc2)c1 521810874 IAZOSRLHGMKVJL-UHFFFAOYSA-N 444.510 5.276 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1nc2ccccc2n1C(F)F 523458411 CMUYCFHQUAJNQX-AWEZNQCLSA-N 445.351 5.126 30 20 IKED Cc1nc(SCc2nnc(-c3cccc(C#N)c3)o2)n([C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C 525110708 GJPCJLHCANWBDQ-MEZWHVQBSA-N 433.581 5.711 30 20 IKED CCN(C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)[C@H](C)c1ccc(C#N)cc1 525142970 BFCVTINHXXDWIP-CQSZACIVSA-N 441.318 5.671 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1 527093774 UZBLSNOJRQLKBB-HXUWFJFHSA-N 443.572 5.106 30 20 IKED Cc1cc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)ccc1NC(=O)c1cccs1 533956847 OIQCILSLTFMJOI-IRLDBZIGSA-N 429.545 5.221 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCc3c([nH]c4ccccc34)C2)cc1F 534020842 AJYDZODACUGOSZ-UHFFFAOYSA-N 426.451 5.561 30 20 IKED CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 534874516 HFAXZCTUNLJOMI-UHFFFAOYSA-N 441.821 5.493 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 538051903 MYKSZJRKPMDTFZ-INIZCTEOSA-N 447.526 6.511 30 20 IKED Cc1nc(NC(=O)[C@H](c2c(F)cccc2Cl)N2CCCCC2)sc1SCC#N 541568806 HULNDWWAHSQSQY-INIZCTEOSA-N 438.981 5.025 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2nn(C3CCCCC3)cc2C)cc1C 542204279 BMGYRUZGEQQETE-UHFFFAOYSA-N 430.556 5.343 30 20 IKED Cc1nc(-c2ccc([C@@H](C)NC(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)cc2)cs1 543888082 VOOQKGYDNZDTBH-CQSZACIVSA-N 446.511 5.198 30 20 IKED N#Cc1cccc(-c2nnc(N3CC[C@@H](c4ccc(F)cc4)C3)n2Cc2cccs2)c1 549570912 FXIGXUTZERCHNM-HXUWFJFHSA-N 429.524 5.060 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H]1c1cccc(OC)c1 554920824 CNCYLPBZBUGHJJ-HJOGWXRNSA-N 430.552 5.059 30 20 IKED O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCCC[C@H]1c1nnc(C2CCC2)o1 558190141 LPNUXLOAJKFDDA-QHCPKHFHSA-N 426.520 5.496 30 20 IKED C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 559007120 GXOUCKVKQJPUMI-QGZVFWFLSA-N 437.544 5.171 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cc(F)c(C(F)(F)F)cc1F 562171063 HIFHFCWAKNGQAE-NSHDSACASA-N 429.414 5.700 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1c[nH]c2ccccc12)C(F)(F)F 562171978 LOFXWNQSMWHYDL-BFUOFWGJSA-N 432.471 5.987 30 20 IKED O=C(CCOCC(F)F)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 569871217 VFCAVLXEKBVWMZ-LBPRGKRZSA-N 447.244 5.116 30 20 IKED COc1ccc(CC2CCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)CC2)cc1 572924590 YWANISFBXGWPNU-UHFFFAOYSA-N 442.519 5.241 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 580268775 WRESEIQZTYISRN-HXUWFJFHSA-N 434.519 5.403 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1)[C@H]1C[C@H]1C 581964155 AQJMHQIBXOCKPK-DWXRJYCRSA-N 439.515 5.151 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H](C)c2ccc(Oc3cccnc3)cc2)c1 583716796 PQFHGTYZHBJYIK-OAQYLSRUSA-N 428.536 5.088 30 20 IKED Cc1cc(C)c(NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)c(Cl)c1 603818612 UAGUKKVNRGCSBX-UHFFFAOYSA-N 437.952 5.703 30 20 IKED CCCc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)[nH]c(C)c1C(=O)OC 603846194 BQPVMSRUOMFTAB-ZDUSSCGKSA-N 449.454 5.181 30 20 IKED Cc1ccc(S(=O)(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1Cl 603983602 HCLFRZIYPIKCSJ-UHFFFAOYSA-N 426.925 5.094 30 20 IKED C[C@H]1CCCCN1Cc1ccccc1CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 609056570 CIRLPRWWUWJUCV-FQEVSTJZSA-N 443.547 5.035 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2cc3ccccc3n2CC#N)cc1 609216197 FFKWEOYBWLPMEO-UHFFFAOYSA-N 442.906 5.347 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)s2)cc1 609343622 NXMMNAUWHCRGKC-VGSWGCGISA-N 430.577 5.145 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 609427833 SGGJWJXVRSUCBE-HNNXBMFYSA-N 436.558 5.833 30 20 IKED CCCNC(=O)Nc1ccc(CC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 609429614 UBUYXQMONOPSCY-UHFFFAOYSA-N 428.492 5.063 30 20 IKED N#Cc1ccccc1OC1CCC(NCc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 609544846 LQPOKEIZAHHWFE-UHFFFAOYSA-N 449.558 5.286 30 20 IKED CC[C@@](C)(NC(=O)c1ccccc1)c1nc(-c2cn(CCC#N)c3ccccc23)cs1 610150872 CVVDXKGOYQRJOO-RUZDIDTESA-N 428.561 5.734 30 20 IKED Cc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)ccc1NC(=O)CC(C)C 610226045 QPVLPPKDOPEYSK-UHFFFAOYSA-N 427.504 5.896 30 20 IKED Cc1cccc(CN(Cc2ccccn2)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1 610660845 JJECRPKKPQASDP-UHFFFAOYSA-N 449.514 5.683 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCCO[C@H](c3ccccc3)C2)cc1Cl 611183821 HOCHNSJJZLPDSQ-DEOSSOPVSA-N 432.907 5.608 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)c3sc(-c4ccccc4)nc3C(F)F)c2C#N)C1 611184120 PAIKCZNIDVUFAD-LLVKDONJSA-N 429.517 6.058 30 20 IKED COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 613290865 OHFQDZNYYIKIMF-QFIPXVFZSA-N 444.494 5.586 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc(OC)c1OCc1ccccc1 613292703 PSGDCKWABSGVKM-OAQYLSRUSA-N 438.483 5.321 30 20 IKED CCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cnn1-c1ccc(F)cc1 613319435 ZQZQOEMELRZDGX-LJQANCHMSA-N 430.508 5.496 30 20 IKED CCCc1nc(C)c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1 613344868 RZBWMIWNCAJDLQ-ZDUSSCGKSA-N 436.389 6.324 30 20 IKED CC(C)(C)OCc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 615379340 OXGYIWUUJKYBAJ-UHFFFAOYSA-N 443.503 5.243 30 20 IKED O=C(Nc1ccc(F)c(C(F)(F)F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 620816334 RJZLXXQDNRMQED-YUMQZZPRSA-N 440.281 5.876 30 20 IKED O=C(N[C@H]1CCCC1(F)F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 673377184 JKRRXFBYHJVZFU-YCSGEZEESA-N 433.383 5.413 30 20 IKED COc1ccc(-c2ccc(C(=O)N3C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)c(F)c2)cc1 674445750 VEPYQWSWGUQSBU-HOTGVXAUSA-N 435.339 5.314 30 20 IKED Cn1ncc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1-c1ccccc1 678758586 IIHYRAGUMKTCPY-CQSZACIVSA-N 426.423 5.206 30 20 IKED N#Cc1ccc(F)c(COC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)c1 727895517 HCMOQPARPKTCTR-UHFFFAOYSA-N 431.398 5.274 30 20 IKED N#C[C@@H](C(=O)COc1ccccc1OCC(F)(F)F)c1nc(-c2ccccc2)cs1 727954145 KXHMQCKWGDGPME-HNNXBMFYSA-N 432.423 5.006 30 20 IKED CC(C)[C@@H](OC(=O)CSc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1Cl 728676706 YOCOQGYZTUSFKC-LJQANCHMSA-N 437.348 5.164 30 20 IKED Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2CNCc2ccc(OCC#N)cc2)c1 729685387 PUBLYIYMERGTNH-UHFFFAOYSA-N 426.495 5.179 30 20 IKED N#CCn1c(C(=O)O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc2ccccc21 729768182 CZFOQOYTFSWGTD-AREMUKBSSA-N 433.467 5.427 30 20 IKED N#CCOc1cccc(NC(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)c1 730172110 JPKONUKKSCWZHJ-OAQYLSRUSA-N 427.287 5.655 30 20 IKED Cc1cccc(C2(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)CCCC2)c1 731081017 SXFOKISQHAQSPD-IBGZPJMESA-N 436.577 5.383 30 20 IKED CCC[C@H](NC(=O)NCc1cccc(O[C@@H](C#N)CC)c1)c1cccc(C(F)(F)F)c1 733804466 DYFDSAXIUCNCEG-CTNGQTDRSA-N 433.474 5.727 30 20 IKED C=CCNC(=O)Nc1ccc(NCc2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1 734157398 LTWFPYWYGPHRTG-UHFFFAOYSA-N 444.366 5.466 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccccc2)C2CCOCC2)cc1 734645050 ZSBXZUDAUZVQKP-IZZNHLLZSA-N 425.532 5.631 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCC(=C3C(=O)Nc4cc(Cl)ccc43)CC2)c1 734651108 UBVAENFPMCIWOE-UHFFFAOYSA-N 437.927 5.329 30 20 IKED CCC(CC)n1c(COc2ccccc2Cl)nn(CN(CC#N)C2CCCC2)c1=S 738256600 LRXHSTJJNXHILV-UHFFFAOYSA-N 448.036 5.733 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cc1 748290789 PTPKQMDYMFCLIB-VWLOTQADSA-N 428.557 5.295 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2c[nH]c3cc(F)ccc23)cs1 749453436 RSRFQMIVKDALQO-UITAMQMPSA-N 439.899 5.998 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(O)c(OC)c2)cc(Br)c1OC(F)F 750899536 DISULVPLDQDWEO-GQCTYLIASA-N 443.240 5.060 30 20 IKED C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H](O)c1c(Cl)cccc1Cl 752677331 JWADVWBLFBPGSL-QHRIQVFBSA-N 438.380 5.489 30 20 IKED N#C[C@@H](C(=O)c1ccc(-n2cccc2)nc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 753400460 NTSGNNFYXRFHKO-INIZCTEOSA-N 439.327 5.793 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1cc(Cl)c(N)c(Cl)c1 754705481 RPJDNBMUEOWXKM-UHFFFAOYSA-N 441.244 5.283 30 20 IKED N#C[C@@H](C(=O)CCCc1cc(Cl)sc1Cl)c1nc2ccccc2n1C(F)F 756242930 RAUPWRRIHTWJOX-NSHDSACASA-N 428.291 5.999 30 20 IKED COc1ccc(OC(F)F)c(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 757201052 XUPHIBSXGDZLLC-OAQYLSRUSA-N 437.446 5.274 30 20 IKED Cc1ccc(CC(=O)Nc2cccc([C@@H](C)OC(=O)Cc3ccccc3CC#N)c2)cc1 761104423 NDRUAGXRJFZCLZ-HXUWFJFHSA-N 426.516 5.089 30 20 IKED Cc1ccccc1-c1nn(CN(CCC#N)CCC#N)c(=S)n1-c1ccc(Cl)cc1 764844120 HYRIYPHJFGMIKK-UHFFFAOYSA-N 436.972 5.119 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@H]3CCCN3C(=O)OC(C)(C)C)n2)cc1 777296001 IAIAWLFBKKBEEC-MSOLQXFVSA-N 425.554 5.084 30 20 IKED COc1cccc(C(=O)c2ccc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cc2)c1 781447907 MWWKQNZRGBKUHO-DEOSSOPVSA-N 448.478 5.041 30 20 IKED C=C[C@@](C)(CCOC)C(=O)OCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 782441530 XNZMVYRUNULWFX-INIZCTEOSA-N 429.127 5.011 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc2)CCO1 782572601 OYKJUBMHCYAAKE-VQTJNVASSA-N 440.547 5.333 30 20 IKED CC(C)Oc1ccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1Cl 783404863 XQAPPVUXCPAUEJ-OAQYLSRUSA-N 447.922 5.360 30 20 IKED COC(=O)c1cc(Cl)ccc1C(=O)/C=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1 787176559 CNGYXDHLFQYPSQ-VURMDHGXSA-N 428.853 5.054 30 20 IKED N#C[C@@H](C(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1)c1nccc2ccccc12 792098123 BKIOPNNPZOQVGC-CJFMBICVSA-N 430.479 6.223 30 20 IKED CN(C)C(=O)c1ccc(C(=O)/C=C/c2csc(-c3cccc(Br)c3)n2)cc1 792923167 GGXRJUGYRCRGQA-ZHACJKMWSA-N 441.350 5.171 30 20 IKED CCc1nc2cc(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)ccc2n1C1CC1 801663547 XJWDTJFUSFJBKZ-XMMPIXPASA-N 449.558 5.911 30 20 IKED Cc1c(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)sc2cc(F)ccc12 805706007 AYHJDSPNJKMIBH-CYBMUJFWSA-N 442.537 5.539 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 812185067 XEMOEHAJSQSPGE-JNAXZKDPSA-N 439.362 5.153 30 20 IKED CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)N[C@H](CCCC#N)c3ccccc3)cc2C1 814638549 SWTOOOXOLCKDRQ-HSZRJFAPSA-N 448.567 5.536 30 20 IKED Cc1c(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccncc2)cnn1-c1ccccc1 818252813 MCPFTFFWOBNSNP-OUKQBFOZSA-N 431.499 5.325 30 20 IKED Cc1cc(-c2cc(C(=O)OCc3cc(C#N)ccc3F)c3cnn(C(C)C)c3n2)c(C)o1 825868661 HFBMAJRYSKOOCF-UHFFFAOYSA-N 432.455 5.257 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1 904554498 KAUQMUJXULMRQF-UHFFFAOYSA-N 439.434 5.224 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)c(Cl)c3)N(C3CC3)C2=O)c1 916205238 MTGYJTAVVOIIAL-LJQANCHMSA-N 445.947 5.219 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 916559463 XSOBFUXKGANCOC-OAQYLSRUSA-N 448.906 5.077 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(=Cc3cccc(F)c3)CC2)cc1 916681765 XWEWGYMMRSRARW-SANMLTNESA-N 425.507 6.192 30 20 IKED C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)[C@@H](C#N)c1ccc2ccccc2n1 916848083 ANYSAALINJBWJT-DOMZBBRYSA-N 429.701 5.294 30 20 IKED C[C@H](Sc1ccc(Cl)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916884485 YJFFXGXJWNUFPD-MEDUHNTESA-N 440.924 5.483 30 20 IKED N#C[C@@H](C(=O)COc1c(Cl)cccc1Cl)C(=O)Nc1ccc(SC(F)F)cc1 916888095 UPUNJRFGUXEUOW-LBPRGKRZSA-N 445.274 5.034 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccc(Cl)cc3)s2)cc1Cl 916941307 SAFZWYALIOZBNU-OAHLLOKOSA-N 445.327 5.692 30 20 IKED COc1cccc(CO[C@H](C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 917043361 KCXXWWFNAJTOBK-WBMJQRKESA-N 434.439 5.105 30 20 IKED CC(C)N(C(=O)COC(=O)c1cccc(CC#N)c1)c1ccc(Nc2ccccc2)cc1 919310510 HGMMYSXDLXSPJC-UHFFFAOYSA-N 427.504 5.095 30 20 IKED C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920141982 OHBBBNGSWXLVDD-IIBYNOLFSA-N 429.545 5.623 30 20 IKED C[C@H](OC(=O)c1cccc(OCc2ccccc2C#N)c1)c1nnc(-c2ccccc2)o1 920636361 WOVAGGJAFVDWHU-KRWDZBQOSA-N 425.444 5.105 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccco4)cc3)CCC2)c1 1786915870 NLIQMOJIOGHGKX-HYSAVQALSA-N 439.515 5.368 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3oc4ccccc4c3C)cc2)CCC1 1788967733 PUTCEOFBMPJWFC-UHFFFAOYSA-N 446.547 5.472 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cncc4cnccc34)cc2)CCC1 1790008028 VGXCIVUPDLGOIC-UHFFFAOYSA-N 440.547 5.146 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc(Cl)c3)CCC2)cc1 1790569845 UHLTYTOHIZIGRV-OAHLLOKOSA-N 445.922 5.028 30 20 IKED CCCCc1ccc(-c2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CC#N)c(C)c2)cc1 1795465934 CXXLHOJVDRYFHQ-QEIWAGNOSA-N 443.591 5.170 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/C2CCCCC2)[C@H]1c1cccnc1 1802501276 WKHSMDWWEVHBHP-OYGUTAAASA-N 437.628 5.216 30 20 IKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1C1CC1)c1ccccc1 1803517002 OHDVBUDYIKDXQF-OUJSJNLKSA-N 440.587 5.013 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)C3(c4ccc(F)cc4)CC3)CC2)C1 1804859610 DTOWOVZPVLVVOG-UHFFFAOYSA-N 440.603 5.081 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1 1809249286 YDAAKKRTGJATSJ-QPPBQGQZSA-N 445.563 5.140 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)CCCCC)[C@@H]1c1cccnc1 1812696340 RCRBONYSTDIJIU-WWNPGLIZSA-N 427.633 5.296 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2C2CC2)[C@H]1c1cccnc1 1813758073 SYHWRTZKOHUQSJ-JQYIIUTOSA-N 443.591 5.047 30 20 IKED CCCCCc1ccc(/C=C/C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCC#N)n[nH]2)cc1 1817116962 HJFBRCLHIRGNGM-POICXBNUSA-N 447.583 5.152 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ccncc23)n[nH]1 1821417470 XAOFBBXVLDEFND-HSZRJFAPSA-N 443.551 5.032 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)c2ccc(O)cc2)CC1 1823753684 XPUXHUIFQXGDRO-YKSBVNFPSA-N 440.628 5.108 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(OC)c2F)CC1 1829071347 PCLQJCKDEXBQGK-NRFANRHFSA-N 444.591 5.060 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cc3cccc(F)c3)cc2)CC1 1831861386 HIAXKWFGVMRUJI-AREMUKBSSA-N 448.582 5.226 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)CCC2)=C(/S)Nc1ccccc1OC 10118327 ZLJGOGMDGJMZTD-UHFFFAOYSA-O 431.581 5.085 30 20 IKED Cc1cccc(-c2nnc(COC(=O)c3ccccc3SCc3ccc(C#N)cc3)o2)c1 18468287 COHASBRJONDSDH-UHFFFAOYSA-N 441.512 5.566 30 20 IKED C=CCn1c(C)nnc1SCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1 22006530 FYAWFQLICXAUMB-UHFFFAOYSA-N 430.986 5.308 30 20 IKED CC(=O)N(c1nc(CSc2nc3c(c(C)c2C#N)CCC3)cs1)c1ccccc1F 22122409 JLEVSIWVGMGLOE-UHFFFAOYSA-N 438.553 5.323 30 20 IKED Cc1c(C(=O)OCC(=O)Nc2ccccc2SCC#N)oc2c1ccc1ccccc12 22152884 YAQSVPQOTNXHLE-UHFFFAOYSA-N 430.485 5.306 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3cccs3)no2)nc2cc(Cl)ccc2c1=O 26008285 UVMFUAZIHFWJRX-LLVKDONJSA-N 430.942 5.201 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1 26838699 HWEBMLYIUDYPGB-UHFFFAOYSA-N 448.504 5.306 30 20 IKED Cc1cccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c1 43751209 UGPBUXHQXGPSPL-LJQANCHMSA-N 430.558 5.273 30 20 IKED C=CCn1c(S[C@H](C)c2ccc(F)c(Cl)c2)nnc1[C@@H]1COc2ccccc2O1 59928180 OVGJONXSIDNDRL-YJYMSZOUSA-N 431.920 5.622 30 20 IKED CCCCc1nc(-c2ccc(OCC(=O)N(CCC#N)c3cccc(Cl)c3)cc2)no1 63539108 HCJUKDBBRMTFCW-UHFFFAOYSA-N 438.915 5.058 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC(OCCc4ccccc4)CC3)c2)cc1 97547767 COICLVKIULYPPE-UHFFFAOYSA-N 426.516 5.214 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C 107794641 XBDHLUCHTKGMME-UHFFFAOYSA-N 431.584 5.542 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1 109667598 BRJZXZGDAQKHRW-HSZRJFAPSA-N 434.540 5.008 30 20 IKED Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3cccc(OCCCC#N)c3)cc12 195698113 SWGLKWWNZCMDGU-UHFFFAOYSA-N 430.533 5.389 30 20 IKED CCc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3ccc(O[C@H](C)C#N)cc3)s2)cc1 303208532 NWGVKYHTJKFAIL-VCRXTVNUSA-N 438.940 5.381 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccccc1 433290812 XRJSTTQDRWKAQE-HXUWFJFHSA-N 427.430 5.448 30 20 IKED N#C[C@@H](CCc1ccccc1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 433296367 HQOHILWEQJQRHR-HXUWFJFHSA-N 438.358 5.690 30 20 IKED C=CCC[C@@H](NC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 435757816 CHILBQMKLLSFLV-HXUWFJFHSA-N 432.490 5.076 30 20 IKED CC[C@H](Cc1ccccc1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 437762476 USFVRFWZTMYBFT-RUZDIDTESA-N 427.548 5.817 30 20 IKED N#Cc1ccc(CNC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)c(Cl)c1 439445681 WCLDMDAOABNIAE-UHFFFAOYSA-N 432.951 5.586 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1cccc(OCc2cccc(F)c2)c1 439561210 HMGJWAZXAMHOKL-LJQANCHMSA-N 447.510 5.161 30 20 IKED N#CCC[C@@H](NC(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1)c1ccccc1 439659459 FXDCGXKIMNYAID-LJQANCHMSA-N 444.482 5.144 30 20 IKED COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)CCC3)cc1 440213725 GZUFQGRSVAMGLG-UNMCSNQZSA-N 446.576 5.540 30 20 IKED Cc1cccc2nc(C3CCN(CC(=O)Nc4ccccc4SC[C@@H](C)C#N)CC3)oc12 444759473 IHRZPDKLLQYBKJ-KRWDZBQOSA-N 448.592 5.206 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC2(CCOCC2)[C@H]1C 460951702 XNFPBTKEDFLCTI-LEWJYISDSA-N 446.595 5.543 30 20 IKED CC[C@@H](C)N(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccc(C(N)=O)cc1 463597539 BJJCQNNESCQMKK-MRXNPFEDSA-N 431.467 5.034 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4cc(C(F)(F)F)ccn4)cc3)o2)cc1 464415614 ZGSCFLFSPAMCSG-LJQANCHMSA-N 448.404 5.616 30 20 IKED CSc1cccc([C@@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)c2cc(F)ccc2F)c1 465650557 ALPVDZFDQDFZGL-NPMXOYFQSA-N 437.515 5.708 30 20 IKED CCC(CC)c1cc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)on1 466119631 XXRUURHSKLPBBQ-UHFFFAOYSA-N 432.524 5.545 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 469658574 ONVHJTHXNXQMDU-HXUWFJFHSA-N 447.457 5.361 30 20 IKED N#Cc1cccc(-c2cc(C(=O)N3CCCCC[C@@H]3c3noc(-c4ccccc4)n3)on2)c1 469751160 GOSPKHOKUSSJGX-OAQYLSRUSA-N 439.475 5.021 30 20 IKED CC(C)(C)OC(=O)CCc1cccc(NC(=O)c2occc2COc2cccc(C#N)c2)c1 470148284 ULLOTPUDIRVYIO-UHFFFAOYSA-N 446.503 5.257 30 20 IKED O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1cccc(-n2ccc(C(F)(F)F)n2)c1 471311734 VRQDGLVIMUBKJD-UHFFFAOYSA-N 447.310 5.224 30 20 IKED CCCc1cccc(C(C)C)c1NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 471895822 NCEPVAKVVQJCPW-UHFFFAOYSA-N 447.539 5.236 30 20 IKED C=CCn1c(S[C@H](C)c2ncc(C(C)(C)C)o2)nnc1[C@@H]1COc2ccccc2O1 476506971 MUJQKXYUKMVGAJ-PBHICJAKSA-N 426.542 5.115 30 20 IKED COCCN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@@H](C)c1cccc(C(F)(F)F)c1 477476329 BNDJTXXFAAMLNB-INIZCTEOSA-N 433.474 5.748 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCc4c(ncn4-c4ccccc4)C3)cc2)cc1 480805112 MLLIEAGFBBXHTI-UHFFFAOYSA-N 435.487 5.126 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1ccccc1C(C)C 481351354 WOINWCQHCHLRRO-SFHVURJKSA-N 436.581 5.286 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3CCSc4ccccc43)cc2F)c1 481708492 ARBWKISICYDDLX-NRFANRHFSA-N 433.508 5.635 30 20 IKED Cc1nc(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)sc1SCC#N 487482912 YETHOTASEKBBHS-UHFFFAOYSA-N 442.547 5.379 30 20 IKED C[C@@H](NC(=O)CSc1nc(C(F)(F)F)ccc1C#N)c1ccc(Cl)c(Cl)c1 488794230 DGUFISVZVOULAR-SECBINFHSA-N 434.270 5.248 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1cccs1 489462322 KNHBZOFTSBBRHM-LLVKDONJSA-N 439.393 5.619 30 20 IKED CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc(C#N)ccc1Br 492420530 ZFMHSNQGMZBPFB-UHFFFAOYSA-N 441.156 5.088 30 20 IKED CC(C)(C)CN(CCC#N)C(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 494168010 CGUBZIGPSZFKRW-UHFFFAOYSA-N 442.357 5.103 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c1 498729867 LYSSZKDSIWXKAR-UHFFFAOYSA-N 439.515 5.016 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1ccc(F)cc1)c1nc2ccccc2s1 501777119 YSYWHOCTNXPSGW-MRXNPFEDSA-N 431.492 5.308 30 20 IKED Cc1csc(N2CCC(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)CC2)n1 501946769 CZJBYJNFLYXWHV-UHFFFAOYSA-N 434.590 5.005 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(CCC#N)Cc2ccco2)cc1 502574908 DBSBLALUUPHEAE-UHFFFAOYSA-N 427.504 5.312 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)NCc3cccs3)n2)o1 504547658 OJWZGVKNQMPBLP-UHFFFAOYSA-N 437.468 5.011 30 20 IKED O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 504901600 GWSYFDRYHHGILP-KRWDZBQOSA-N 449.370 5.519 30 20 IKED C=CCN(C(=O)c1ccc(Oc2cccc(Cl)c2)cc1)c1nc(C(=O)OCC)cs1 505066241 WQEZIRAHZYJCJE-UHFFFAOYSA-N 442.924 5.598 30 20 IKED Cc1cc(NC(=O)[C@@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)nn1CCC#N 509281705 JUKUXVHZTDDRSJ-FQEVSTJZSA-N 429.307 5.171 30 20 IKED CN(C)c1ccc(NC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)c(C(F)(F)F)c1 509734837 KOWSDJCHZRIUKT-INIZCTEOSA-N 437.359 5.726 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](C)N1CCc2sccc2C1 510746825 MTDITGJGZRQMAG-GOSISDBHSA-N 446.576 5.289 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1nc2ccccc2s1 510856570 GXUOXXLZGIVDID-UHFFFAOYSA-N 428.517 5.933 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H]3CCSc4c(F)cccc43)c2)c1 511531737 MCMKMCWXWKTSEW-NRFANRHFSA-N 446.507 5.308 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 513147409 BDWFWLAFPKEOFA-SZNDQCEHSA-N 446.498 5.251 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2ccccc2Oc2cccc(Br)c2)nc2ccccc21 513665480 DZNAGYSQDMAPIN-SFHVURJKSA-N 446.304 5.618 30 20 IKED C[C@@H](NC(=O)NCc1ccc(F)cc1C(F)(F)F)c1ccc(OCC(F)(F)F)cc1 516326049 CMSBXUJLQBKVSO-LLVKDONJSA-N 438.343 5.346 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccccc4)c3C3CC3)n2)cc1 518515516 WMRKFQVMBXRWQT-HXUWFJFHSA-N 440.528 5.372 30 20 IKED C=CCN(C(=O)Nc1cccc(-c2cccs2)c1)[C@H](C)c1cccc(-n2cnnn2)c1 518752264 MBIAKZCEQQHTSI-QGZVFWFLSA-N 430.537 5.172 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@H](c3ccc(F)cc3)[C@@H]3CCCO3)cc2)cc1 518885498 UJRODKWYJDZLPR-LOSJGSFVSA-N 430.479 5.334 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 520291295 XWKBCIZVEOLVAL-HJOGWXRNSA-N 430.552 5.059 30 20 IKED C[C@H]1C/C(=C/c2ccco2)c2nc3ccccc3c(C(=O)Nc3ccn(CCC#N)n3)c2C1 522725478 OKWDCCRMNDFHKN-HMNTXPNISA-N 437.503 5.313 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 523627448 YYWQFNNHOJUSIL-LJQANCHMSA-N 447.922 6.034 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(C)(C)c1ccc2c(c1)OCCO2 524421494 WYMHJJXOEKJTHT-UHFFFAOYSA-N 442.515 5.133 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC(C)(C)N1CCC[C@H](C)C1 524440479 PLOJDEWDFNGKTK-IBGZPJMESA-N 434.584 5.078 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc([C@H](C)Sc4ccccc4)cc3)CC2)o1 530300342 YJJCIKGECGVXHR-KRWDZBQOSA-N 446.576 5.563 30 20 IKED Cc1nnc(-c2cccc(NC(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)c2)o1 534154767 SLOSDHWHXUAONQ-UHFFFAOYSA-N 430.851 5.615 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CN(C)Cc2ccc(C#N)cc2)cs1 535979889 DWFOFHGWUWGENG-UHFFFAOYSA-N 444.482 5.350 30 20 IKED N#CC1(c2ccc(C(=O)N3CCCC[C@@H]3C(=O)Nc3ccc(Cl)cc3Cl)cc2)CC1 538533927 GRIRDHOGSRKCCR-HXUWFJFHSA-N 442.346 5.182 30 20 IKED N#Cc1cc2c(nc1NC(=O)c1ccc(Oc3cccc(Br)c3)nc1)CCCC2 540469409 SWBRSIYQDCBHBG-UHFFFAOYSA-N 449.308 5.034 30 20 IKED CC(C)(C)n1cc(C#N)c(NC(=O)c2ccc(-c3ccc(Br)s3)s2)n1 541068129 JJUOVZJKLNRPIP-UHFFFAOYSA-N 435.372 5.315 30 20 IKED N#CCC1CCN(CC(=O)N(Cc2ccc(F)cc2)c2nc(-c3ccccc3)cs2)CC1 541949527 SUZSUYXDGOWCOM-UHFFFAOYSA-N 448.567 5.108 30 20 IKED Cn1c(Cc2cccs2)nc2cc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)ccc21 557566289 XNOKVOQXLDCYJO-FYYLOGMGSA-N 440.572 5.138 30 20 IKED Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 558774836 DIHWBSDMZWJFHC-VCSGRIEYSA-N 427.508 5.027 30 20 IKED C=CCn1c(SCc2nnc(C(C)C)o2)nc2scc(-c3ccc(C)cc3)c2c1=O 588783191 CODDLNRPMPYLRI-UHFFFAOYSA-N 438.578 5.418 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(CC(C)C)c3ccc(C#N)cc3)c12 603739315 PDNXAOOYQOSUSU-UHFFFAOYSA-N 429.568 5.547 30 20 IKED COc1ccc2c(c1)C[C@@H](C(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)CO2 603758670 AESYNILLXOFINT-XMSQKQJNSA-N 432.907 5.194 30 20 IKED Cc1nc(-c2c[nH]c(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c2)cs1 603921097 NRPTYYCRLOGEAP-UHFFFAOYSA-N 428.517 5.344 30 20 IKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc(Oc4cccc(F)c4)cc3)CC2)cc1 604087793 UPBUJUFETBBNCS-UHFFFAOYSA-N 444.510 5.229 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 604100518 BXHQZYRCBUYBFU-UHFFFAOYSA-N 437.286 6.094 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1CN(C)C1CCCCC1 604107981 CKHPISMSVWRSSL-UHFFFAOYSA-N 432.612 5.445 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(-c3ccccc3F)on2)cc1 604118135 IRVULTLSQXFPLU-UHFFFAOYSA-N 427.435 5.378 30 20 IKED COc1ccccc1OCCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609063310 YKXOSLMEVFTCGF-UHFFFAOYSA-N 436.895 5.207 30 20 IKED COCCSc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 609147551 GWDRQYVNRSFTCR-QGZVFWFLSA-N 448.548 5.367 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)s2)cc1 609343619 NXMMNAUWHCRGKC-HTAPYJJXSA-N 430.577 5.145 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1NC(=O)c1ccccc1F 609377275 ACTMWISOUPNQPA-MRXNPFEDSA-N 447.535 5.891 30 20 IKED Cc1cccc(-c2cccc(CNC(=O)CCC(=O)N(CCC#N)c3ccccc3)c2)c1 609421398 PXLBCZCMXAROMF-UHFFFAOYSA-N 425.532 5.005 30 20 IKED CC(C)[C@H](C#N)N1CCN(C(=O)c2oc3ccccc3c2CSc2cccs2)CC1 609457337 RSNRFINHXJVIEX-IBGZPJMESA-N 439.606 5.093 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc([N+](=O)[O-])cc1Br 610041015 ZTQSPVZMBJQGPD-UHFFFAOYSA-N 428.267 5.210 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3OC(F)(F)F)cn2)cc1 610153119 PVRYHQFFOSZENK-MOPGFXCFSA-N 439.393 5.386 30 20 IKED CC(C)(C)Cc1nc(-c2ccc(C(=O)Nc3cc(C#N)ccc3OC(F)F)cc2)no1 610174242 QOWURSCIPJAXKR-UHFFFAOYSA-N 426.423 5.051 30 20 IKED COc1cccc(/C=C(/CC(=O)N2CCC[C@@](C)(C#N)C2)c2nc3ccccc3s2)c1 618861966 NIAIWHJPCYUXJV-ODUAORJMSA-N 431.561 5.388 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(C=NNc2ccc(C#N)c(C(F)(F)F)c2)cs1 726426047 OMNKBNKLNXEVJK-UHFFFAOYSA-N 447.417 5.303 30 20 IKED COc1ccc(C(=O)/C=C\c2ccc(OC)c(OCc3ccccc3)c2)cc1NC(C)=O 726429049 RPBREOHWKDQONT-XFXZXTDPSA-N 431.488 5.137 30 20 IKED Cc1nc(-c2ccccc2)sc1C(=O)/C=C\c1cc2ccccc2nc1N1CCOCC1 727780062 GHBKCVYNTXEHBD-QXMHVHEDSA-N 441.556 5.399 30 20 IKED N#CC(CCOC(=O)c1cnc(-c2ccccn2)s1)(c1ccccc1)c1ccccc1 727889635 IEKRLDSGVPUKPO-UHFFFAOYSA-N 425.513 5.262 30 20 IKED CC1CCN(C[C@@H]2CCCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)C2)CC1 728688198 VHKPACZYZGDIQC-BKMJKUGQSA-N 430.596 5.318 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccc(C)cc23)cc1 730521370 RUQMKQZDDZPQSO-UHFFFAOYSA-N 437.503 5.165 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 731069899 JJPDNWHAEIRFCI-MRXNPFEDSA-N 449.576 5.513 30 20 IKED CC(C)c1nn(-c2ccccc2)c(Cl)c1/C=C\C(=O)c1ccc(C(F)(F)F)nc1O 731562813 GTKFKUMTTOBCPM-NTMALXAHSA-N 435.833 5.665 30 20 IKED COc1ccc(-c2nc3c(s2)[C@@H](NCc2ccc(N(C)CCC#N)cc2)CCC3)cc1 731678856 ODTGNLBPTAFDDU-QFIPXVFZSA-N 432.593 5.336 30 20 IKED CC(C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cccc(COc2ccccc2C#N)c1 734199598 KDXZNXVRXABLQR-IBGZPJMESA-N 442.515 5.445 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)OCc1cc(Cl)ccc1OCC#N 735343226 RXLALFHMXPBOMS-UHFFFAOYSA-N 430.888 5.094 30 20 IKED COc1cc(/C=C2/COC/C(=C/c3ccc(SC)c(OC)c3)C2=O)ccc1SC 741447770 OZDAFFCZKJANON-XFQWXJFMSA-N 428.575 5.214 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(SC)c(F)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 741847525 OXZCKJJESDQGGF-HWKANZROSA-N 445.390 5.302 30 20 IKED CC(C)c1cccc(C(C)C)c1NC(=O)CON=CC(=O)Nc1ccc(F)cc1Cl 742363260 YLQAMMGYDUPMEF-UHFFFAOYSA-N 433.911 5.306 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)cc1 743294622 QUAGRAQAGKRYMF-HOFKKMOUSA-N 438.575 5.376 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F 744027832 AURVCSKYACTKJK-QYZOEREBSA-N 432.426 5.208 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@H](Cc3ccccc3)c3ccccc3)n2)cc1 744063198 ZCOLRVAJKSYHBB-DQEYMECFSA-N 447.563 6.275 30 20 IKED Cc1ccccc1-c1noc([C@@H](C)OC(=O)c2occc2COc2cccc(C#N)c2)n1 746071557 IVUQKIHHCKKZCG-MRXNPFEDSA-N 429.432 5.007 30 20 IKED COc1ccc(/C=C2/CCOc3c(ccc(Cl)c3Cl)C2=O)cc1OCCCC#N 747361164 DJDOMTPORDTUPU-QINSGFPZSA-N 432.303 5.733 30 20 IKED C[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1cccc(N2CCOC2=O)c1 748296546 KBGZCDYPTZDCKK-KRWDZBQOSA-N 443.528 5.157 30 20 IKED CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C#N)s2)NC(=S)N1c1cccc(F)c1 749010721 IYIBOJGUGRDFBO-OAQYLSRUSA-N 448.548 5.107 30 20 IKED CCc1nc(C(=O)N2C[C@@H](c3ccc([N+](=O)[O-])cc3)SC2=Nc2ccccc2C)co1 753485778 DKORAODTWBTTGM-IBGZPJMESA-N 436.493 5.072 30 20 IKED N#Cc1cc(F)c(C(=O)O[C@@H](c2cc(Br)ccc2F)C(F)(F)F)c(F)c1 755378368 GDUYVFYYJQNLSR-AWEZNQCLSA-N 438.121 5.198 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2cc(COc3c(Cl)cccc3Cl)on2)cc1 758459303 BEEBPFQSQWIYPI-UHFFFAOYSA-N 430.291 5.429 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 758600678 COLBYKZPPQJXRQ-URXFXBBRSA-N 445.519 5.159 30 20 IKED C=C[C@H](CC(=O)OCc1csc(N(C(C)=O)c2cccc(Cl)c2)n1)c1ccccc1 758910028 DUZKTGKRAFFFSK-QGZVFWFLSA-N 440.952 5.884 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3c(C(F)(F)F)ccnc3Cl)cc2)c1 759778607 KGTHOIGGRWQPON-UHFFFAOYSA-N 431.801 5.457 30 20 IKED CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 759819487 LMADZZSWLXSBKB-DOMZBBRYSA-N 441.475 5.041 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2ccc(F)cc2OCC#N)ccc1OCc1ccccc1 761665609 VVDZZKATEVVNDA-QGZVFWFLSA-N 449.482 5.198 30 20 IKED C=CCn1c(-c2cccc(Cl)c2)nn(CNC2(c3noc(C)n3)CCCCC2)c1=S 764976283 OZPHBHWQCWLSQP-UHFFFAOYSA-N 444.992 5.019 30 20 IKED C=CCn1c(-c2ccc(C)cc2)nn(CN(C)Cc2csc([C@@H](C)OCC)n2)c1=S 765034390 AKYOELMPHOWQEK-QGZVFWFLSA-N 443.642 5.219 30 20 IKED C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCC[C@@H]2c2cccc(C)n2)c1=S 765106434 PIWYLNPEMLNCNX-HXUWFJFHSA-N 425.989 5.419 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCCOc1ccc(C)cc1Cl 766257765 OQPQMTDMWFDTLB-HNNXBMFYSA-N 449.334 5.125 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 767761064 ANWHQTYETWNJIZ-NVXWUHKLSA-N 433.499 6.121 30 20 IKED CCc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cnn1-c1ccccc1OC 769441086 DKSBLPPKSPMLBS-JOCHJYFZSA-N 436.515 5.351 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 777115144 OCUYXIHGDVVMJD-OAHLLOKOSA-N 436.556 5.264 30 20 IKED CC[C@H](C)Oc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccn1 777302809 QZXVVKIQSSOTHN-FXAWDEMLSA-N 429.476 5.012 30 20 IKED C[C@H](C#N)Oc1ccccc1NCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 779988892 MJTAZOYCDOZMFC-OAHLLOKOSA-N 440.330 6.149 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 780160146 OWYQQRUFCPFMTE-CYBMUJFWSA-N 428.275 5.724 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\CCOc3cc(F)ccc3C2=O)cs1 781556340 XDJKBOFGUZDOLB-GXDHUFHOSA-N 442.899 5.669 30 20 IKED CCOc1cccc2[nH]cc(CC(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c12 783069019 DGANORGEOCDVKX-CQSZACIVSA-N 443.450 5.614 30 20 IKED CC(C)N(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 783296527 DDMQTYPNHUIFJC-XMMPIXPASA-N 445.950 5.371 30 20 IKED CC[C@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccccc1 787030492 FHOJLMDEJSDHFS-GMAHTHKFSA-N 441.462 5.080 30 20 IKED CCCCCCCCS(=O)(=O)Cc1ccnc(-c2ccc(Br)cc2)n1 790150912 UTPULIWFMUHRLV-UHFFFAOYSA-N 425.392 5.181 30 20 IKED Cc1ccccc1[C@@H](O)C1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 804511140 KMNQQUOVDFPABO-SANMLTNESA-N 425.532 5.196 30 20 IKED C[C@@H](Cc1cncc2ccccc12)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 805856575 YNGPPJKGZVWKED-CYFREDJKSA-N 449.510 5.553 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccncc2OCc2ccccc2)cc1 806201592 ZFBDPAXFXPRIRI-SANMLTNESA-N 448.526 5.638 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2nc3c(Br)cccc3s2)c1 806741620 LOVBVRMDMLOFGI-CYBMUJFWSA-N 445.342 5.061 30 20 IKED CON(Cc1ccccc1Cl)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 810166892 REEXKPNBJRZUJO-UHFFFAOYSA-N 435.911 5.581 30 20 IKED CC(C)(C)N1CC[C@](F)(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1 810533039 UCCQTQUXDCNWOF-JLTOFOAXSA-N 440.371 5.506 30 20 IKED O=C(OCc1nc2cc(C(F)(F)F)ccc2o1)c1c(F)cc(C(F)(F)F)cc1F 811418848 SOAUNBRCZHIWPY-UHFFFAOYSA-N 425.231 5.501 30 20 IKED N#C[C@@H](C(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1cc(C(F)(F)F)ccn1 813219034 VMQIHUWXMMBHTI-IIBYNOLFSA-N 432.348 5.375 30 20 IKED Fc1cccc(-c2noc(-c3cc(OCC(F)(F)F)ccc3OCC(F)(F)F)n2)c1 904539375 QRZRDPMZAMCKCX-UHFFFAOYSA-N 436.283 5.425 30 20 IKED CC(C)(C)OC(=O)N[C@H](CCCCC#N)c1nc(-c2ccc(Br)cc2)no1 904709288 ATHCAXZLPIYSQH-OAHLLOKOSA-N 435.322 5.149 30 20 IKED N#C[C@@H](C(=O)CSCc1ccc(Br)cc1)c1nc(-c2ccccc2)cs1 914527098 IGYHGZOWQZUUNP-KRWDZBQOSA-N 443.391 5.682 30 20 IKED Cc1ccc(C(=O)N2CCCSC2=Nc2ccccc2)cc1NC(=O)c1ccccc1 914839196 NYPIVPOZBCVYGB-UHFFFAOYSA-N 429.545 5.514 30 20 IKED Cc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1NC(=O)c1ccco1 915087053 PAEPVOUTQZXMBF-QHCPKHFHSA-N 435.483 5.748 30 20 IKED N#C[C@@H](C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1nc2ccccc2n1C(F)F 915107953 ZBDUANCJROZXFC-QVWVMINQSA-N 448.311 5.342 30 20 IKED COc1cc(C#N)cc(Cl)c1OC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 915137282 HZSIUKDQJPSKNZ-UHFFFAOYSA-N 433.316 5.069 30 20 IKED COc1ccc(C=Nn2c(S)nnc2-c2ccccc2Br)c2ccccc12 915950545 PRKQDDTVCRFFKJ-UHFFFAOYSA-N 439.338 5.040 30 20 IKED N#C[C@@H](C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1ccc(Cl)cc1 916882449 FGYSJGQUIQLUIV-JVDPXHNSSA-N 427.209 5.373 30 20 IKED C[C@H](Sc1ccc(Cl)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916927627 MRAQIMSHXWINRU-IINYFYTJSA-N 427.740 5.475 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(Cc3ccc(F)cc3)nc2C)cc1 916951568 ZCAHOXDQGUQJLV-VFNWGFHPSA-N 449.551 5.656 30 20 IKED O=C(COc1ccc(C(=O)/C=C\c2cnc(-c3ccccc3)nc2)cc1)Nc1ccccc1 917142967 SUNOYMNVAGSKGH-WJDWOHSUSA-N 435.483 5.057 30 20 IKED Cc1ccc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cc(C)c(C)c(C)c2C)c1 917611983 APPWGZVOINUNLG-UHFFFAOYSA-O 428.581 5.711 30 20 IKED COc1ccccc1OCCN(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 918037320 MMCQEYKDDXAROK-OAQYLSRUSA-N 449.938 5.547 30 20 IKED COc1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)ccc1OC(C)C 919902837 HZQJUUDTPADTGA-UHFFFAOYSA-N 445.519 5.777 30 20 IKED CC(C)n1ncc2cc(/C=C3/COc4c(Br)cccc4C3=O)c(Cl)nc21 920066678 IYEVYNVZVXCORD-QPEQYQDCSA-N 432.705 5.087 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCSc3nc4ccccc4s3)n2)cc1 920143420 ZNUUDGVFXHHOIE-MRXNPFEDSA-N 446.582 5.650 30 20 IKED N#C[C@@H](C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)c1nc(-c2ccncc2)cs1 920264975 GTYXXVMNKWKGRY-XZXOBPBMSA-N 431.517 5.962 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)Sc4cccs4)CCC3)cc2)C1 1785808525 IQPAOKFENQFERJ-INIZCTEOSA-N 426.607 5.329 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3cc4ccccc4n3C)cc2)CCC1 1786032081 FZCGANWGJMNXRS-LJQANCHMSA-N 429.564 5.067 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c(C(C)(C)C)c3)CCC2)cc1 1786364133 IXZAMTBHQHVJHI-UHFFFAOYSA-N 437.584 5.043 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)CCc3cc(C)cs3)cc2)CCC1 1786863947 PPITUIYSQDVXHD-UHFFFAOYSA-N 440.609 5.106 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4c(F)cccc34)cc2)CCC1 1789338173 MHUDEBYRFPNKOB-IBGZPJMESA-N 446.526 5.218 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)sc1Cl 1798981315 KOEKJNHDCIAJPI-BTTYYORXSA-N 429.413 5.299 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cc(-c4ccccc4)on3)C2)CC1 1804728498 PKANJXHBYLFEPU-UHFFFAOYSA-N 449.595 5.179 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc4cccc(C)c4[nH]3)CC2)C1 1805457181 WWKIUHHXERVLAE-UHFFFAOYSA-N 433.596 5.090 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2cccc(C)c2)[C@@H]1c1cccnc1 1810493321 XPJLFXRIJLUKEA-AOYPEHQESA-N 447.623 5.021 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 1811954976 PRQRLHHQPDWPFN-NXCFDTQHSA-N 445.607 5.293 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)C2(C)CCCCC2)[C@H]1c1cccnc1 1812998953 QYYDMQGXTPBCKJ-FGZHOGPDSA-N 425.617 5.050 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc(F)ccc4s3)CC2)C1 1823700696 VZJVACLSNNYZFH-NRFANRHFSA-N 440.584 5.240 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccs2)CC1 1825313403 YDYIBZKAYHJYJH-XZOQPEGZSA-N 428.642 5.069 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2)CC1 1829997591 JZBSZEBKRVEEST-UTKZUKDTSA-N 436.518 5.151 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2cccc3ccccc23)CC1 1831369320 ITGSJFSZBQQAAW-BWKNWUBXSA-N 448.607 5.051 30 20 IKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1-c1ccc(OC)cc1 21180217 WPUZZUALMVUMJM-UHFFFAOYSA-N 439.928 5.135 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc(OCc4cccnc4)cc3)c2)c1 32291044 QUGCFCNTUFECMN-UHFFFAOYSA-N 435.483 5.364 30 20 IKED Cc1nc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)sc1SCC#N 107915996 BSFVIZAHEUJZJJ-UHFFFAOYSA-N 439.349 5.590 30 20 IKED N#C[C@H](C(=O)CCc1ccc(OC(F)F)cc1)c1nc(-c2ccc(Cl)cc2)cs1 195556895 GLMCRXLHRHVPHP-QGZVFWFLSA-N 432.879 5.874 30 20 IKED C=CCn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nnc1-c1ccccc1F 216657207 SAMGTRPYRVCUBU-UHFFFAOYSA-N 427.892 5.266 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1 303534397 XFXHYWOQLXCHFD-UHFFFAOYSA-N 436.846 5.147 30 20 IKED O=C(c1ccn(-c2cccc(C(F)(F)F)c2)n1)N(Cc1ccc(F)cc1)CC(F)(F)F 303995440 JMMFYMLQEDGEMC-UHFFFAOYSA-N 445.338 5.235 30 20 IKED Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 437820038 ITMVYZWTBDCYTG-NOZRDPDXSA-N 444.579 5.171 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C1CC1)[C@H](C)c1cccc(C(F)(F)F)c1 438080482 XKZXLUZOONILRD-JKSUJKDBSA-N 447.526 6.715 30 20 IKED CCN(Cc1ccc(-c2ccc(C(C)(C)C)cc2)s1)C(=O)Nc1ccn(CCC#N)n1 438333431 VNFBUISQEKVQKD-UHFFFAOYSA-N 435.597 5.877 30 20 IKED C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)cc1 438790732 FGFJQPZZVNKMMU-SFHVURJKSA-N 429.545 5.009 30 20 IKED CSc1ccc([C@@H](C)NCCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 439478209 MOBWZHFTJQKEFP-QGZVFWFLSA-N 436.581 5.019 30 20 IKED C[C@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)Nc1ccc(OC(F)F)cc1 439652560 TVFUUWXNVWTQBS-AWEZNQCLSA-N 441.409 5.530 30 20 IKED Cc1ccnc(Oc2ccc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)cc2)n1 440837078 YGBTYVPRKCGJCN-UHFFFAOYSA-N 440.434 5.633 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 441143579 SRBXMZCBPJZGLK-HSZRJFAPSA-N 441.922 5.380 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1OC)c1ccc(C(F)(F)F)cc1 442093058 CMIGUTJYMWNJLZ-INIZCTEOSA-N 440.849 5.130 30 20 IKED CCN1CC[C@H](N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C[C@H]1C 443914745 IIGXFIITWWKRKU-UTKZUKDTSA-N 440.975 5.127 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1F)C1CCCC1 447025898 FIDVKWGELTVYMD-ZHRRBRCNSA-N 439.556 5.064 30 20 IKED COc1cc(OC)c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1F 447080926 ATJZXSFZRPQVAJ-UHFFFAOYSA-N 437.446 5.088 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCn2c(cc3ccc(Cl)cc32)C1 447395481 IRPDVTJQXIPXSK-INIZCTEOSA-N 438.984 5.001 30 20 IKED C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](OCCC)CC1 460390500 WPNLVRAJTPTRAN-QGZVFWFLSA-N 433.394 5.069 30 20 IKED N#Cc1cccnc1-n1cc(NC(=O)[C@@H](Sc2ccccc2Cl)c2ccccc2)cn1 461315413 JPIATIUFEZVAND-NRFANRHFSA-N 445.935 5.264 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C)CC(=O)c1ccccc1F 463486074 XERSYXSKBVINTB-SFHVURJKSA-N 430.479 5.432 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1c(O)c(Cl)cc(Cl)c1Cl 477985881 GXUUWEFFBOOTOD-UHFFFAOYSA-N 429.687 5.030 30 20 IKED N#Cc1cc(Cl)ccc1CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 479231104 GVNZXXBEOXPGLA-IBGZPJMESA-N 428.920 5.081 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 481594824 IFOFOQZAALDVLD-UHFFFAOYSA-N 426.451 5.702 30 20 IKED COCCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@H](C)c1ccccc1 481742062 MKJQINOIGWWAGC-LJQANCHMSA-N 447.510 5.518 30 20 IKED C[C@H](CC#N)N(C)C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482343288 HGAYNMNLJUMGOO-PRHODGIISA-N 435.290 5.271 30 20 IKED CCc1c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cnn1-c1cccc(C)c1 482714080 BOCGJRWBRIQLRQ-UHFFFAOYSA-N 426.476 5.039 30 20 IKED CC(C)c1c(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cnn1-c1ccccc1Cl 485138427 QEPMPPWKVQWWMU-UHFFFAOYSA-N 445.954 5.842 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(Oc2cccnc2)c(F)c1 485197263 NNKVENZFKGKMLZ-UHFFFAOYSA-N 437.519 5.078 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1ccc(Cl)cc1Cl 485394821 JWHZWKDCPLIXIN-UHFFFAOYSA-N 434.304 5.162 30 20 IKED CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n[nH]1 486231474 MVTCPMNBTKJYPV-DOXZYTNZSA-N 436.947 5.510 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cc(C3CC3)nc21 487327241 VFUVRINBAMGHRZ-UHFFFAOYSA-N 442.548 5.061 30 20 IKED N#CCCC[C@@H](NC(=O)c1ccc(Br)cc1Br)c1ccccc1 487517224 STIQJOLUYMJRKV-QGZVFWFLSA-N 436.147 5.377 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc3c(c2)CCCC(=O)N3)cc1 487595002 WPGGYVOYVVHXKZ-UHFFFAOYSA-N 427.529 5.378 30 20 IKED CCNC(=O)Nc1ccc(C)c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 487715244 BNWRUTHNOJKFNS-UHFFFAOYSA-N 448.910 5.706 30 20 IKED C=CCn1c(SCC(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)nnc1C1CC1 487981601 OCCPBHSFIKUQAZ-UHFFFAOYSA-N 439.610 5.319 30 20 IKED C=CC[C@@H](C(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1ccccc1 488991523 IARUPNXEYPPXLN-OAQYLSRUSA-N 441.499 5.237 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 489236380 CXVHYYRFVRXAHN-QUCCMNQESA-N 434.446 5.456 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1ccc(C)cc1 489648251 AWCKMFRBHWMVLC-GOSISDBHSA-N 431.565 5.960 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H]2CCO[C@H]2c2ccccc2)cc1F 489828570 GZRLWWINMAKABH-DVECYGJZSA-N 431.467 5.389 30 20 IKED N#CCCN(C(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc2c(c1)OCCO2 497895229 JJEHVTWHABLBFP-UHFFFAOYSA-N 433.316 5.540 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@H](C#N)c1ccccc1Cl 499946502 QLZCBFLYVXNQIT-QGZVFWFLSA-N 432.332 5.332 30 20 IKED C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1 500352308 WLRZHRXVXGLWQE-WBLPJHHHSA-N 438.955 5.406 30 20 IKED C=CCCc1ccccc1NC(=O)N[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 505028825 IWHMTSCDIOHZCR-VWLOTQADSA-N 448.588 5.428 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCOc2cccc(Cl)c2)cc1 511415801 QNAAKXRGVPGWKP-UHFFFAOYSA-N 435.911 5.186 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc(Cl)c1OCC(C)C 512974720 GXPAHOBOBNFEDY-INIZCTEOSA-N 441.940 5.392 30 20 IKED C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 513108792 SHQNDXAYBUSONI-KRWDZBQOSA-N 445.523 5.740 30 20 IKED Cc1nc(CSc2ccc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cc2)cs1 513182877 YUAIOSJUZLQHNP-QGZVFWFLSA-N 433.480 5.648 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc3ncccc23)nnc1-c1cccc(C)c1 514955052 DLKINHQDAIHLGI-KRWDZBQOSA-N 429.549 5.107 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1 515732366 NHCJTULSFUIUAK-UHFFFAOYSA-N 441.984 5.146 30 20 IKED CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCC(=O)N(CCC#N)c1ccccc1 519220059 JMMITDTVRQGIGW-UHFFFAOYSA-N 432.351 5.069 30 20 IKED COc1ccc(CCCNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC 520595796 ZIABFCYTRGLCEH-UHFFFAOYSA-N 431.492 5.122 30 20 IKED CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1 520714323 NNAICHMARYOANI-KRWDZBQOSA-N 445.494 5.404 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)cc2)cc1 521141975 MZJRTWKANFWQNO-QFIPXVFZSA-N 435.405 5.558 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](CCC(C)C)c3ccc(Cl)cc3)CC2)o1 521277321 QIGXEVXUBHSGNK-FQEVSTJZSA-N 428.964 5.018 30 20 IKED CCc1c(C)sc(NC(=O)c2ccccc2OCc2cn3cc(C)ccc3n2)c1C#N 521326588 YXPHVRGZBZXLQJ-UHFFFAOYSA-N 430.533 5.278 30 20 IKED C[C@H](NC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1)c1ccc(C#N)cc1 524317583 PDHIBORIMHUWFU-HNNXBMFYSA-N 428.879 5.420 30 20 IKED CC(C)(C)c1noc2ncc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc12 524431099 ZNZLVOWBHQPIGJ-MRXNPFEDSA-N 436.924 5.787 30 20 IKED Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)on1 524441394 GQFUOTMAJQSYGG-HXUWFJFHSA-N 436.899 5.456 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cc1ccn(-c2ccc(F)cc2)n1 525152369 NYNGIVMMGURZFL-UHFFFAOYSA-N 442.469 5.107 30 20 IKED COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2 525429731 OFRGDJYWAHRZPJ-OAHLLOKOSA-N 447.398 5.095 30 20 IKED Cc1nnc(-c2cccc(C(=O)N(Cc3cccc(C#N)c3)c3ccc(F)cc3C)c2)o1 531287230 ZMTXLDFEOYZIBV-UHFFFAOYSA-N 426.451 5.211 30 20 IKED COc1cc(CN[C@@H](c2ccccc2)c2ccccn2)ccc1OCc1cccc(C#N)c1 533334101 JFPTWKKWCRLBKO-NDEPHWFRSA-N 435.527 5.420 30 20 IKED CN(C(=O)c1ccc(C(=O)N(Cc2ccco2)c2ccccc2C#N)cc1)c1ccccc1 535324294 FCJVQMKPEQVMSN-UHFFFAOYSA-N 435.483 5.275 30 20 IKED N#CC1(c2ccc(C(=O)N3CCC(OCc4ccc(Cl)c(Cl)c4)CC3)cc2)CC1 538567731 GPBJRIRMXDHMEF-UHFFFAOYSA-N 429.347 5.370 30 20 IKED Cc1c(NC(=O)c2ccccc2Oc2ccccc2C#N)cccc1C(=O)Nc1ccccc1 540854709 SFEQVYWWUVJXQE-UHFFFAOYSA-N 447.494 6.164 30 20 IKED C[C@@H](NC(=O)[C@H](OC1CCOCC1)c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 542928546 RUVHUBDWVBNMBR-NFQMXDRXSA-N 440.543 5.339 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[C@H](CSc2ccccc2)C1 549685395 KBRCNEHKNIGGLY-QFIPXVFZSA-N 434.609 5.190 30 20 IKED N#Cc1ccc(N2CCC(Nc3cccc(C[S@](=O)Cc4ccccc4)c3)CC2)cc1 552283922 NAVYKKQPTSGPKE-WJOKGBTCSA-N 429.589 5.088 30 20 IKED Cc1csc(NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)c1C#N 561836592 JKYKFFJRFGEHAH-UHFFFAOYSA-N 427.555 5.016 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 568677041 HMNVQAHFHDSOOU-CRAIPNDOSA-N 425.558 5.348 30 20 IKED N#CCCN(C(=O)CCc1nc2cc(Br)ccc2s1)c1ccc(F)cc1 582036864 PFIDGOMECIUCLC-UHFFFAOYSA-N 432.318 5.077 30 20 IKED CCO[C@@H](c1noc(C2(c3cc(F)cc(C#N)c3)CC2)n1)c1ccc(F)cc1C(F)(F)F 582692292 WGVSLFAPTOERLU-GOSISDBHSA-N 449.379 5.444 30 20 IKED N#CCn1c(C(=O)N2CCc3nc(-c4ccccc4Cl)sc3C2)cc2ccccc21 588799133 XEALYVRWXOKGKK-UHFFFAOYSA-N 432.936 5.140 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)cc1 596072404 QEGLUEDOWCWKIG-UHFFFAOYSA-N 438.487 5.568 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 603726502 NKYQDAUIAHTUPZ-UHFFFAOYSA-N 442.544 5.292 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Cl 603759133 USWJTFZVDAQVLT-LJQANCHMSA-N 431.835 5.902 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cn2)cc1 608804871 FHIWHALPDCIHPM-UHFFFAOYSA-N 436.427 5.042 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3ncccc3OCCCC#N)c3c(C)noc3n2)c(C)s1 609171134 AHAYVXXCHKYZQM-UHFFFAOYSA-N 447.520 5.206 30 20 IKED Cn1ccnc1[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(F)cc1 609208779 FUJCDDKOFLDPDC-HSZRJFAPSA-N 441.466 5.134 30 20 IKED CC1CCN(C[C@@H]2CCCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)C2)CC1 609306458 VVRHWRXOZNGSLV-FQEVSTJZSA-N 435.543 5.074 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1nc(-c2ccccc2)cs1 609339402 NQDDGTSSIQGNEU-INIZCTEOSA-N 441.516 5.752 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 609434727 LZOWMQHWFFNJRB-UTKZUKDTSA-N 443.016 5.693 30 20 IKED CCN(Cc1cc(Br)ccc1F)C(=O)CCCCOc1cccc(C#N)c1 609499384 OJKAFKUDGAKZHG-UHFFFAOYSA-N 433.321 5.058 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NCc3ccc(OCc4ccccn4)cc3)cc2)cc1 609501373 IPLPBGGFDXKVPV-UHFFFAOYSA-N 449.510 5.449 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N(Cc2ccccc2)Cc2cc[nH]n2)c1 609731321 DOWZQJVAORKVSG-UHFFFAOYSA-N 442.906 5.570 30 20 IKED CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 609927867 GDXQLNWQYGUDRQ-QRQCRPRQSA-N 436.899 5.297 30 20 IKED COc1ccccc1[C@@H]1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 610016735 PUTPCMAJJHGRCU-JOCHJYFZSA-N 441.531 5.362 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 610019524 FJQGSZLJSCJXES-UHFFFAOYSA-N 444.560 5.112 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)cc1 619338496 WZYCZBVGJYZTDV-UHFFFAOYSA-N 441.487 5.183 30 20 IKED Cc1c(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)sc2cccc(F)c12 642157303 FSFAJUUZLGYDJS-URLYPYJESA-N 427.385 5.988 30 20 IKED C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 670206699 CZIGQZXKXFRHBB-OKILXGFUSA-N 438.803 5.352 30 20 IKED O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674617463 WXYJEWUQSFUBMM-JYJNAYRXSA-N 426.376 5.439 30 20 IKED CCN(C[C@@H]1CCN(C(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)C1)CC(F)(F)F 681404523 UJXCBZQZZAZEKT-LBPRGKRZSA-N 447.370 5.079 30 20 IKED COc1cc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1C(F)(F)F 684122920 RBWSMYBIRHHHRQ-IUCAKERBSA-N 438.290 5.309 30 20 IKED Cn1nc(C(F)F)c2cc(C(=O)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)sc21 684205992 ZEBHRRJOCRNUSA-BQBZGAKWSA-N 449.367 5.212 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC2(CCOCC2)[C@H]1C 685544063 SHAMLMHYKJKPOC-VQTJNVASSA-N 432.568 5.153 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccccc3C(F)(F)F)n2)cc1 727232504 MKHYQSCZWTYKNW-CJNGLKHVSA-N 446.450 5.481 30 20 IKED CC(=NNc1ncnc2c1cnn2-c1ccccc1)c1sc(-c2ccc(C)cc2)nc1C 727651124 JEAUSLSBNAUNDH-UHFFFAOYSA-N 439.548 5.392 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCc1cccc(OC2CCCC2)c1 727954026 SIUNRJCTWNPOPZ-DEOSSOPVSA-N 432.564 5.413 30 20 IKED C#Cc1cccc(N(Cc2ccco2)C(=O)Cc2csc(Cc3ccc(F)cc3)n2)c1 728182315 JIWYRXPIEUDMAF-UHFFFAOYSA-N 430.504 5.223 30 20 IKED N#C[C@@H](C(=O)c1sc2cc(Br)ccc2c1Cl)c1nc2ccccc2[nH]1 729886715 JYQQVVYWJKDQHF-NSHDSACASA-N 430.714 5.684 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)ccc1F 731645373 KSYMTPSJIWPBSR-QGZVFWFLSA-N 437.393 5.186 30 20 IKED Cc1cc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)c(C)n1[C@@H](C)c1ccccc1 733253125 GNFIFTVUXPCDFW-AOMKIAJQSA-N 436.353 5.471 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1 733772811 HJAZQDXCMVKHFD-ZDUSSCGKSA-N 427.715 5.023 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 733844341 JJQCLEISKLQTPV-OAQYLSRUSA-N 426.476 5.353 30 20 IKED CCc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)o1 740434267 CURSOTSUELLMSD-LOSJGSFVSA-N 427.548 6.647 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1nc2cc(Cl)ccc2s1 741430341 KEBPGRDMPAAUCQ-MGPQQGTHSA-N 436.842 5.828 30 20 IKED CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 742366481 OGDMSNDLYQBDHP-UHFFFAOYSA-N 435.524 5.326 30 20 IKED COc1ccc(Cl)c(NC(=S)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1 742991319 RYBAUFOFGLLMMY-UHFFFAOYSA-N 439.943 6.071 30 20 IKED N#C[C@@H](C(=O)CCCOc1ccc(F)cc1F)c1nc2cc(C(F)(F)F)ccc2s1 743447979 YKBNCLLKRVZVEZ-ZDUSSCGKSA-N 440.393 5.629 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1cc(C2CC2)nc2ccc(F)cc12 745592882 LQNDLRKNBXCIHU-HNNXBMFYSA-N 438.524 5.073 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)n1 747199211 RKBVHFPMVGVXFG-RHSMWYFYSA-N 436.364 5.054 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)cc1C#N 752298247 BPZPJXDICKZQHZ-QFIPXVFZSA-N 436.512 5.284 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1 752678699 ORRGLEWRTSHKBK-RXVVDRJESA-N 435.549 5.299 30 20 IKED COc1cc(C(=O)/C=C/c2c(C(F)(F)F)nn(C)c2Cl)ccc1SC(F)F 758932571 VYFDTWOTPWWKGI-SNAWJCMRSA-N 426.794 5.312 30 20 IKED Cc1noc(C[C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2ccccc2)n1 759844624 VXHUUVBPZNKZAM-DNQXCXABSA-N 437.503 5.139 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2c[nH]c3cc(Br)ccc23)cc1 764841998 ZZJSPUOVQWJLLR-QFIPXVFZSA-N 444.332 5.767 30 20 IKED C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 766352327 WSJJBJXSOQTTAL-GXFFZTMASA-N 435.293 5.392 30 20 IKED COc1ccccc1N1C(=O)/C(=C/c2cn(CCC#N)c3ccccc23)c2ccccc2C1=O 767922551 QEEBYBLRZAAJCM-HAVVHWLPSA-N 447.494 5.291 30 20 IKED Cc1cc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c(C)c(C)c1O 774832790 ZNUGZFIFKVVLGR-UHFFFAOYSA-N 445.544 5.172 30 20 IKED C#CC[C@H](NCc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1)c1ccccc1 775398990 DBCFZRSJVRVXPP-NRFANRHFSA-N 444.387 5.989 30 20 IKED Cc1cc(C2CCN(C(=O)c3ccccc3SCC#N)CC2)ccc1Br 779352113 RBEZAHUFCLWYRC-UHFFFAOYSA-N 429.383 5.393 30 20 IKED CC1(C#N)CCN(C(=O)c2cc(Cl)nc(Oc3ccc(Br)cc3)c2)CC1 780779492 HQOYFDSIICMSRS-UHFFFAOYSA-N 434.721 5.056 30 20 IKED N#Cc1ccc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2C(F)(F)F)s1 781376091 PGGLWSJPPANCLG-IBGZPJMESA-N 430.451 5.015 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1 790394317 POCPEASYERXPNI-NRFANRHFSA-N 430.451 5.248 30 20 IKED O=C1COc2cc(C(=O)/C=C\c3csc(-c4ccc(C(F)(F)F)cc4)n3)ccc2N1 794731854 CWRIYGWAFNUTIA-VURMDHGXSA-N 430.407 5.056 30 20 IKED FC(F)(F)c1cccc(-c2ccc(NN=Cc3cnc(-c4ccncc4)s3)nn2)c1 794980402 AWYOMFQLVJVCLQ-UHFFFAOYSA-N 426.427 5.127 30 20 IKED CC(C)(C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc2c(c1)OCO2 796756586 NFHCSEHILWDCJZ-ZDUSSCGKSA-N 432.423 5.198 30 20 IKED C=CC[C@@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1)c1ccc(Cl)c(Cl)c1 797553826 ZUFCCWDFLHTBMF-YLJYHZDGSA-N 433.335 5.101 30 20 IKED COCc1ccccc1/C=C(/C)C=Nn1c(C)nc2scc(-c3ccccc3)c2c1=O 814213931 WXJUPJWBNXZXKA-VMVQBGBKSA-N 429.545 5.517 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1sc2cccc(F)c2c1Cl 883978413 MZLAJMPTVDMHPC-BRPSZJMVSA-N 447.803 6.333 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)cc1 915086426 JKQOPWWGOLEUCY-HSZRJFAPSA-N 440.499 5.105 30 20 IKED N#C[C@H](C(=O)CSc1ccc2c(c1)OCCO2)c1nc(-c2ccc(Cl)cc2)cs1 915102104 ROFLYKQULCZZNN-MRXNPFEDSA-N 442.949 5.203 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915179697 GFNDBFHPPIZZOZ-XMMPIXPASA-N 437.568 6.264 30 20 IKED N#Cc1ccccc1CSCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915351841 HDWLJXDYCFLRBZ-DEOSSOPVSA-N 426.545 5.269 30 20 IKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1C1CC1 916215487 GZDBATQWYBFPBA-IBGZPJMESA-N 427.957 5.080 30 20 IKED Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1ccccc1Br 916333043 AZTNSPRMYBUZGZ-UHFFFAOYSA-N 428.142 5.185 30 20 IKED Cn1c([C@@H](C#N)C(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)nc2ccccc21 916843461 IGNWKBIZTWSNHJ-RDPSFJRHSA-N 445.975 5.926 30 20 IKED Cc1ccc(SCCC(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1C 916888104 URBRLSGWRSWHSW-SFHVURJKSA-N 434.533 5.448 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3)cc12 916900022 ZPQAWTDNVLLLDZ-LJQANCHMSA-N 448.935 5.069 30 20 IKED C[C@@H]1CCc2c(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)csc2C1 916905856 PTRZOWDCWANBLF-APWZRJJASA-N 430.529 5.626 30 20 IKED CSc1ccc(N2C[C@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)CC2=O)cc1 916974411 KOUJNDMJHQDRJQ-YLJYHZDGSA-N 447.585 5.070 30 20 IKED N#C[C@H](C(=O)CCCc1nnc(-c2ccccc2)o1)c1nc(-c2ccc(Cl)cc2)cs1 916976790 TYPBYYYRAONFAR-GOSISDBHSA-N 448.935 5.713 30 20 IKED CC[C@@H](C)c1ccccc1OCC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042807 GPADHIWMURTNHY-CJNGLKHVSA-N 432.467 6.084 30 20 IKED C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl 918434400 NYTVDXJHVOPQCL-QGZVFWFLSA-N 449.403 5.126 30 20 IKED CC(C)CN(CCc1ccccc1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 921133235 GQTAZWWFULERFO-SANMLTNESA-N 439.559 5.008 30 20 IKED O=C(C#CC1CC1)Nc1ccc(C2(NC(=O)c3cc4c(Cl)cncc4s3)CCC2)cc1 1786303952 ZPHVFKGMMIABBS-UHFFFAOYSA-N 449.963 5.111 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccoc3C(F)(F)F)cc2)CCC1 1788726666 FFCXHHZIZLTDBG-UHFFFAOYSA-N 432.442 5.240 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccnc4ccccc34)cc2)CCC1 1788891130 YMKPUZUFLASCBI-UHFFFAOYSA-N 435.474 5.194 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4nc[nH]c4c3)cc2)CCC1 1789279750 POGCCEGUJBWUHA-NRFANRHFSA-N 428.536 5.079 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C)c3Cl)CCC2)cc1 1790569773 RLLLURZOBFBJSY-QGZVFWFLSA-N 441.959 5.197 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cnc4cccc(Cl)c4c3)cc2)CCC1 1790978723 HWPNHVTWHCGPPJ-UHFFFAOYSA-N 431.923 5.049 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)C[C@@H]4C[C@@H]5CC[C@H]4C5)cc3)CCC2)cc1 1791322819 AVWRFAJKTXIROL-HJNYFJLDSA-N 427.548 5.132 30 20 IKED CC[C@H]1CC[C@H](C(=O)Nc2ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc2)CC1 1791464978 ITCPRDVPUFHNDY-PHVZFWDBSA-N 435.568 5.049 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3[nH]ccc3s2)n[nH]1 1818789547 XUZVFZOCVLLOTN-QAPCUYQASA-N 437.569 5.027 30 20 IKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2Oc2ccccc2)n[nH]1 1820438034 VGWOLNOVKUUPLY-NRFANRHFSA-N 430.508 5.084 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(C(C)(C)C)c2)CC1 1825439831 VVXSIIQUWZKISB-XZOQPEGZSA-N 439.644 5.314 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CC2CCCC2)CC1 1828903770 FMTOCKCFVLWGGO-DEOSSOPVSA-N 444.736 5.238 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)oc2C(F)(F)F)CC1 1831371978 QTKJJENWPVHMLX-BEFAXECRSA-N 440.506 5.052 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C23CCC(CC2)CC3)CC1 1832386760 XPPBHOONHZCVKZ-DSYMUFTKSA-N 426.645 5.345 30 20 IKED O=C(/C(=C(\S)Nc1ccc(F)cc1)[n+]1ccc2c(c1)CCCC2)c1ccc2c(c1)CCC2 10829860 SULHQWPONUBJOW-UHFFFAOYSA-O 445.583 5.532 30 20 IKED N#Cc1ccc(CSC2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(F)cc2)c(F)c1 11384394 LJDGJZBYVXCHCI-LPYMAVHISA-N 431.467 5.514 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccc(C(C)(C)C)cc2)c(C)[nH]1 23603267 MEXHHOLZWQHXBQ-UHFFFAOYSA-O 434.629 5.884 30 20 IKED N#CCc1ccc(NC(=O)CNc2ccc(Oc3ccc(Br)cc3)cc2)cc1 60993220 QQLJHVNPGAHICZ-UHFFFAOYSA-N 436.309 5.358 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 78720044 MXPSSJOPYJRKIJ-AWEZNQCLSA-N 427.476 5.585 30 20 IKED COc1cc(C(C)=O)ccc1OCCCC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 107754928 BCRUZEVVHLXGSI-UHFFFAOYSA-N 429.472 5.201 30 20 IKED C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccccc1F 195569035 UUGCSULUCPUBIY-UHFFFAOYSA-N 430.936 5.271 30 20 IKED Cc1cc(C)n(-c2ccc(CNCc3cccc(OCCCC#N)c3)c(C(F)(F)F)c2)n1 237698022 JEASKMNUAYMHLX-UHFFFAOYSA-N 442.485 5.480 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](CC(N)=O)c1cccc(Cl)c1 431408255 BMCOMGPMRSTXJJ-JOCHJYFZSA-N 448.910 5.051 30 20 IKED Cc1ccc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1NC(=O)Nc1ccccc1 436337753 BYCVDNOGAXOFSA-ZCYQVOJMSA-N 438.531 5.551 30 20 IKED Cc1nc(COc2ccccc2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)no1 437462207 NANKOWZNZYIDOP-UHFFFAOYSA-N 444.422 5.012 30 20 IKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 437802620 RMRDMCJYNTVLBL-ILBGXUMGSA-N 438.531 5.551 30 20 IKED C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 437896574 ODIRCNDLCFBZKF-BCHFMIIMSA-N 443.522 6.086 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@H](Cc4ccccc4)C3)cc2F)c1 437952876 HWZCKTPADVQZOA-OAQYLSRUSA-N 429.495 5.373 30 20 IKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H]1Oc2ccccc2[C@H]1C 438633640 ODPCVCCZZFEIJY-UYXZNNOOSA-N 441.531 5.406 30 20 IKED CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 438946972 JLYZODUUOXVQEL-UHFFFAOYSA-N 425.488 5.210 30 20 IKED CO[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)[C@@H](C)C1 441669188 LLEKQSTXXXINAI-LIRRHRJNSA-N 433.430 5.401 30 20 IKED Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 442180131 BQCPETDCPLUEPE-GFCCVEGCSA-N 426.464 5.570 30 20 IKED CCOC(=O)[C@@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c2ccccc21 446246748 IVHSHXKGUDMJAO-HXUWFJFHSA-N 444.462 5.187 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cccn(Cc4ccccc4)c3=O)cc2)cc1 446509073 UHRUPXNPRIDTIW-UHFFFAOYSA-N 435.483 5.007 30 20 IKED C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 460776402 CDKLGCWXXSXZIF-INIZCTEOSA-N 448.411 5.380 30 20 IKED Cc1cc(Br)c(S(=O)(=O)Nc2ccccc2S[C@@H](C)CC#N)s1 460831736 TXYZGRSAYKTHRF-JTQLQIEISA-N 431.402 5.014 30 20 IKED C[C@@H](Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)C(=O)Nc1cccc(C#N)c1 463403873 JFRDPVIZBPUKBI-CQSZACIVSA-N 436.874 5.042 30 20 IKED CCO[C@H](C)c1ncc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)s1 463750139 OWUFLVWYJLHELJ-LLVKDONJSA-N 429.489 5.517 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)c1cc(C(F)(F)F)ccn1 464430404 YZMZTVFCISDISB-CQSZACIVSA-N 438.377 5.920 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3ccccc3C)no2)nnc1-c1ccc(OC)cc1 466619690 XNCGGXHGFOLKSE-MRXNPFEDSA-N 433.537 5.351 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccc(-c4cccnc4)cc3)c2)cc1 466949160 BDGZJJWSTDDRNE-UHFFFAOYSA-N 448.526 5.715 30 20 IKED Cc1ccc(-c2nnc([C@H](C)Nc3cc(C(F)(F)F)ccc3SCCC#N)o2)cc1C 467757480 DYSWFYUFSMDMEQ-HNNXBMFYSA-N 446.498 6.551 30 20 IKED O=C(Cc1ncccc1F)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 472506739 VSDDQTOQCAQZLL-AWEZNQCLSA-N 448.260 5.221 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 480321104 UEMPYSAUEASTSO-GOSISDBHSA-N 447.457 5.014 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1nc2ccccc2n1CCc1ccccn1 482176804 LSGCIICLQHPNJG-UHFFFAOYSA-N 443.510 5.465 30 20 IKED O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)N(CCC(F)(F)F)CC1CC1 482428297 AMWAZKMUFRJUKM-ZDUSSCGKSA-N 436.318 5.683 30 20 IKED C=CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 483087845 KBOCSLLPJBVSTQ-UHFFFAOYSA-N 432.505 5.352 30 20 IKED N#Cc1cc(C(=O)N(Cc2ccc(OC(F)F)cc2)C23CC4CC(CC(C4)C2)C3)ccn1 483815413 BZTZIVVBSZLOQQ-UHFFFAOYSA-N 437.490 5.166 30 20 IKED Cc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)oc2ccccc12 487451822 VIROEKVMVUDPPL-UHFFFAOYSA-N 441.434 5.931 30 20 IKED CCN(CC(F)(F)F)C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 488559516 ZYJMSZOWBNOUAP-MWENRILCSA-N 439.362 5.520 30 20 IKED Cc1c(C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)sc2ccc(C#N)cc12 489321259 BHXLWPVPDFRATG-UHFFFAOYSA-N 425.513 5.264 30 20 IKED COc1ccc([C@H](NC(=O)Nc2ccc(CC#N)cc2)c2ccc(C(F)(F)F)cc2)cc1 490770317 OGJJYDWLSVUVLJ-JOCHJYFZSA-N 439.437 5.691 30 20 IKED Cc1nc(CSc2ccccc2C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)cs1 502367736 SNSRBQSALICLTP-UHFFFAOYSA-N 448.598 5.991 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)o1 505591875 DLMPYAMXYZMKEO-MJGOQNOKSA-N 426.394 5.035 30 20 IKED CCC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nnc2ccccn12 506639358 YRFBUJPGNMJVSG-OAQYLSRUSA-N 426.480 5.056 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)N1CCC(C)(C#N)CC1 506657533 RSNXUFREYWOKEG-UHFFFAOYSA-N 433.531 5.889 30 20 IKED COc1ccc([C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2ccccc2OC)cc1 506685058 BQWDJVKZWRKSTN-DEOSSOPVSA-N 429.520 5.416 30 20 IKED C=CCn1c(COCc2ccccc2)nnc1N1CCC(=Cc2ccc(F)c(F)c2)CC1 508810865 QHBDOKXNZVENKJ-UHFFFAOYSA-N 436.506 5.143 30 20 IKED C=CCn1c(CSc2ccc(C)cc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 508819084 WLJRJKKGKFPFFA-UHFFFAOYSA-N 439.532 5.177 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@H]([C@@H]2CCOC2)C1 508839673 HAIWAWXNBFUHMG-AJSBUHFISA-N 432.568 5.010 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2csc(-c3ncccc3F)n2)cc1 511027067 HJHODBFEJMLSHH-UHFFFAOYSA-N 446.482 5.198 30 20 IKED CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)S(=O)(=O)Cc1cccc(C#N)c1 511871732 FFMNAQQDYQBSQR-UHFFFAOYSA-N 448.466 5.189 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1 513101722 HWZYIFNCYIYRAR-UHFFFAOYSA-N 437.455 5.235 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccn(-c3ccccc3)n2)cc1 513938624 VAUWWZGPVWDRQT-UHFFFAOYSA-N 425.467 5.117 30 20 IKED CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 516047135 SEVSUXPMRDXSLO-UHFFFAOYSA-N 439.924 5.053 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)cc2)cc1 517656141 RXXISKYADHVHSH-UHFFFAOYSA-N 436.496 5.792 30 20 IKED CCOc1cc2c(cc1NC(=O)c1ccc(Oc3ccc(CC#N)cc3)cc1)O[C@H](C)C2 518885434 OCHGHJPGFVCGJD-QGZVFWFLSA-N 428.488 5.519 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc1 519306176 UPPPNJAOBVIHAS-KRWDZBQOSA-N 430.360 5.657 30 20 IKED C=CCN(C(=O)c1nc2ccccc2cc1Br)c1nc2c(s1)CCCC2 519461502 HWSDEOBLDVLUTP-UHFFFAOYSA-N 428.355 5.165 30 20 IKED C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)CCC(=O)N(CCC#N)c1ccccc1 520255249 XTFYHVPLHREFJE-OAQYLSRUSA-N 445.588 5.565 30 20 IKED N#C[C@H](NC(=O)c1cc(Br)cs1)c1ccc(OCc2ccccc2)cc1 520536520 JRBQFWWVBKNETO-SFHVURJKSA-N 427.323 5.084 30 20 IKED C=CCN(CC=C)C(=O)C(=O)Nc1ccc(Oc2ccccc2Br)c(Cl)c1 521741864 GZFBNMPBKUGKJH-UHFFFAOYSA-N 449.732 5.034 30 20 IKED CSCc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 521884179 DCWBGRWPEPZIIX-UHFFFAOYSA-N 447.585 5.404 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ncoc1-c1ccccc1Cl 525153056 IBZBKPVTVLKIJE-UHFFFAOYSA-N 430.851 5.615 30 20 IKED CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1Br 535335117 KDRMRUBKRQXYCD-UHFFFAOYSA-N 443.219 5.015 30 20 IKED C=C[C@H](CC(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)c(C)s1)c1ccccc1 536187970 FIYANPUWXCZKMQ-MRXNPFEDSA-N 425.579 5.115 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 540463035 CFOZCQIOCAPZNL-OFNKIYASSA-N 434.948 5.623 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1-c1nc([C@H]2CCO[C@@H](C)C2)no1 545803890 SNWUWYGVJQDUGL-HOCLYGCPSA-N 438.553 5.358 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](C(F)(F)F)C4(CCC4)C3)cc2)cc1 549204677 PDMYYXZBWKOCMT-FQEVSTJZSA-N 429.442 5.937 30 20 IKED CC(C)(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1[N+](=O)[O-] 550249403 LUYWYAPBJFPRAK-UHFFFAOYSA-N 433.439 5.101 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 554213252 CDSLSMKRFCVGFE-OKZBNKHCSA-N 427.595 5.113 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)c3sc4ccccc4c3Br)n2)c1 555071823 ZFHVFAJJTUIEEA-UHFFFAOYSA-N 440.347 5.911 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1c2c(nc3ccccc13)CCN(CC)C2 556432482 NYSLYLHZOUKXNM-UHFFFAOYSA-N 425.985 5.156 30 20 IKED N#CC1(c2ccccc2)CCC(Nc2ccc3c(c2)N(CC(F)F)C(=O)CS3)CC1 556607960 JCVOYJMLSGSETN-UHFFFAOYSA-N 427.520 5.206 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](C)CC[C@@H]2c2ccccc2OC)cc1 562142548 NEVCCEKGCQFLHA-GBXCKJPGSA-N 447.579 5.515 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@H](c3cc(F)ccc3F)C(F)F)cc2)ccn1 563839232 BQCQBVULBDVQAQ-LJQANCHMSA-N 430.361 5.152 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1N1CCCC1 569031508 VYCGVLIVIGVQBJ-HNNXBMFYSA-N 433.499 5.810 30 20 IKED N#Cc1ccccc1Oc1ccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)N3C2=O)cc1F 569995804 NHADFXNVGLBLEY-SFTDATJTSA-N 427.435 5.162 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccnc(-c2ccc(Cl)cc2)n1 573130793 RCCKEZUVSCFIQB-UHFFFAOYSA-N 441.878 5.417 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)N3CCc4nc(-c5ccccc5Cl)sc4C3)CC2)c1 573279833 MYVPKIJWTBSYJL-UHFFFAOYSA-N 437.927 5.091 30 20 IKED N#Cc1ccc(-c2nnc(N3CCC[C@@H]3c3ccc(O)cc3)n2CCc2ccccc2)cc1 589642385 BKHRQCJTCADPTN-RUZDIDTESA-N 435.531 5.107 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 590252653 DZSOLEUYIHQVKE-UHFFFAOYSA-N 444.306 6.303 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c2ccc(Br)cc2n1 592974591 UZBMGCDNQAYRJL-HNNXBMFYSA-N 440.297 5.545 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c2ccc(Br)cc2n1 592974592 UZBMGCDNQAYRJL-OAHLLOKOSA-N 440.297 5.545 30 20 IKED Cc1ccnc2sc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)c(C)c12 603564667 UKIUMMVOSSXJKX-UHFFFAOYSA-N 437.575 5.181 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 603601370 XCCGQMQFJJDDDK-UHFFFAOYSA-N 446.894 5.087 30 20 IKED C[C@H](Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)Nc1cccc(C#N)c1 604044653 CPZFLPCPTWZZMV-ZDUSSCGKSA-N 427.291 5.491 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c1 604929630 JDHZDXQDYCRNSQ-GOSISDBHSA-N 441.796 5.908 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(NC(=O)c2ccoc2)c1 606775131 VADHQRVVQTZCPS-UHFFFAOYSA-N 430.382 5.368 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)nnc1-c1ccncc1 607436755 WVURVVDWKKZHGA-AWEZNQCLSA-N 438.944 5.007 30 20 IKED CC(C)c1nc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cs1 608805178 MVGGNBKOMGIMOW-UHFFFAOYSA-N 436.484 5.457 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 608915417 MUTFVMNYMIUCIR-UHFFFAOYSA-N 440.572 6.201 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1 609398555 AYIKUTGNQRSSRA-OAHLLOKOSA-N 433.499 5.810 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1 609435283 CNPIYWHPEVYMOM-GOSISDBHSA-N 433.581 5.567 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OCC 609439014 SEOCKNICPRXDEJ-DLBZAZTESA-N 427.570 5.761 30 20 IKED C=CC1CCN(C(=O)[C@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)CC1 609506822 ZFAZXETXNUWJNZ-HNNXBMFYSA-N 439.606 5.110 30 20 IKED Cc1ccc(C[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c2ccccn2)cc1 609686779 DGPRXWFSHDCZHK-VWLOTQADSA-N 449.514 5.555 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCc2ncc(-c3ccccc3)o2)c1 609731300 ZWDRKUKSJLIPOE-UHFFFAOYSA-N 429.863 5.589 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCN1C(=O)CCc2ccccc21 609970884 OYHFLXRZWGLTGX-UHFFFAOYSA-N 447.482 5.019 30 20 IKED CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccc(F)cc1F 610030108 JECDBWCEPNBDJC-JOCHJYFZSA-N 449.457 5.143 30 20 IKED COC[C@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 610331180 WQQTXAUEKWJEBB-INIZCTEOSA-N 431.336 5.105 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cnc(-c4ccc(F)c(F)c4)s3)cn2)c1 611538178 VXWAXIQTUNFOGN-UHFFFAOYSA-N 434.427 5.400 30 20 IKED C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 611556559 DWSQQYZHIHREJD-WMLDXEAASA-N 430.430 5.005 30 20 IKED N#Cc1cc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)ccn1 611941212 HROVNIQDYAJVGC-CQSZACIVSA-N 427.270 5.384 30 20 IKED N#CC1(c2ccc(C(=O)N[C@H](CC(F)(F)F)c3ccc(Br)cc3)cc2)CC1 612502356 XIJQQHIQCQVBHC-QGZVFWFLSA-N 437.259 5.428 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(Cc4ccccc4Cl)c3)n2)cc1 613314236 DPRNUPAZCQBWJR-IBGZPJMESA-N 432.936 5.507 30 20 IKED N#CCn1c(C(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)cc2ccccc21 613409313 ZXBOOELOKGWUHV-LJQANCHMSA-N 426.289 5.044 30 20 IKED C=CCn1c(SCCC(=O)N[C@H]2CCCc3ccccc32)nnc1-c1cccc(C)c1 644492795 VIFKOGKJLPTXGK-QFIPXVFZSA-N 432.593 5.116 30 20 IKED N#C[C@@H](C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)c1nc2cc(F)ccc2s1 675514810 SKEMRJZWGOPFHP-AWEZNQCLSA-N 430.386 5.130 30 20 IKED N#C[C@@H](C(=O)c1cccc([C@H]2CCCOC2)c1)c1nc2cc(C(F)(F)F)ccc2s1 678027400 HDBAFMRRFPYJND-RDJZCZTQSA-N 430.451 5.699 30 20 IKED C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 679554811 DIJXBDDMTHRFOR-YPMHNXCESA-N 430.364 5.298 30 20 IKED CCn1c([C@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nc2ccccc21 726074481 PWSJLBBIXJBQSC-JYFHCDHNSA-N 449.558 6.081 30 20 IKED COc1ccccc1[C@@H](C)CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 728766789 KZQMMTAXXCSFNC-GHTZIAJQSA-N 428.488 5.329 30 20 IKED N#C[C@H](C(=O)Cc1ccccc1Br)c1nc2cc(C(F)(F)F)ccc2s1 729186928 RANSIKVUXGGZHZ-GFCCVEGCSA-N 439.256 5.497 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 729349652 PLGVQJLAZWMDMS-HSZRJFAPSA-N 435.568 5.341 30 20 IKED N#C[C@H](C(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)c1ccc2ccccc2n1 730687398 VUSMXHLUBVVVAI-UQBPGWFLSA-N 430.866 6.024 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CSc1ccccc1Cl 731060452 KTXFNRQECABARK-AWEZNQCLSA-N 434.970 5.008 30 20 IKED C/C(=C\C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccccc1Cl 731081077 VMPVTDDVOKRBHJ-KFXIKWRMSA-N 428.941 5.177 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 731400137 LHJQECTYYKFIKZ-ROUUACIJSA-N 446.617 5.192 30 20 IKED O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(C(F)(F)F)nc1O 731564981 XAHIMQBCZNBXBB-CSKARUKUSA-N 441.434 5.616 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1cccc(Cl)c1Oc1cccnc1)c1ccccc1 731615833 MVISPEQJRYRJRE-UHFFFAOYSA-N 448.910 5.193 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cccc(COc2cccc(F)c2)c1 734080352 QRDZSUQCGLHHOZ-LJQANCHMSA-N 440.833 5.158 30 20 IKED Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3cccc(COc4ccccc4C#N)c3)o2)c1 734200235 VBWGBZKGXKGPGM-GOSISDBHSA-N 439.471 5.414 30 20 IKED CC(C)Cn1c(SCc2cc(Cl)ccc2OCC#N)nnc1-c1ccccc1F 735232316 LYDCIUQWOJFCIJ-UHFFFAOYSA-N 430.936 5.588 30 20 IKED O=C(/C=C\c1ncc(-c2ccc(Br)cc2)[nH]1)c1c(Cl)nc2ccccn12 737446620 YEDBXBDUMYUZPV-HJWRWDBZSA-N 427.689 5.036 30 20 IKED C#CCN1CCC(C(=O)Nc2c(C)cccc2-c2nc3ccc(F)cc3n2C(C)C)CC1 741969944 RORPSFBBGVBLAN-UHFFFAOYSA-N 432.543 5.015 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3ccc(-c4ccc(Cl)cc4)cc3F)o2)c1 744973561 IXWLGIUBUXZPQR-UHFFFAOYSA-N 433.826 5.425 30 20 IKED C[C@H](Oc1cccc(C(=O)/C=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)c1)C(=O)O 745021811 RQLBKMBVHGDWGQ-XPSMFNQNSA-N 447.434 5.577 30 20 IKED O=C1C[C@@H](C(=O)O[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c2ccc(F)cc2N1 746436581 HTOVORVSWCESFM-CZUORRHYSA-N 435.295 5.117 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)CCCc2ccc3c(c2)-c2ccccc2C3)n1 747558486 CHBBOMDPVPMBCM-NRFANRHFSA-N 430.529 5.090 30 20 IKED CCCOc1c(Cl)cc(C=NO[C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1OCC 749522629 FYCIGYHHQQBNBN-ZDUSSCGKSA-N 440.874 5.183 30 20 IKED C=CC[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Oc1cccc(C)c1)c1ccncc1 749725737 ANWHKBYAQNAYIT-FQEVSTJZSA-N 435.911 5.208 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H](C)Sc1ccnc2cc(Cl)ccc12 750185321 MTUKBUJJKBGMGB-INIZCTEOSA-N 446.963 5.504 30 20 IKED CC[C@@H](Cc1ccccc1Br)C(=O)NCc1cccc(O[C@@H](C#N)CC)c1 757655426 KAELFXRONCOODC-PKOBYXMFSA-N 429.358 5.015 30 20 IKED C[C@H](C[C@H](O)c1ccccc1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 758570347 YXESSFYAHZTOKL-UWSIMGETSA-N 433.939 5.629 30 20 IKED C/C(=C\c1cccc(Cl)c1)C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 758890849 SQLUNTBTMJLOJT-BMANGOCTSA-N 428.941 5.177 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C\c2nc(Cl)cs2)C(=O)c2ccccc2)c(Cl)c1 759076841 STSLQPRCNYTPGJ-GDNBJRDFSA-N 431.344 5.972 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 759219010 VTXBFBRECSIDIQ-ROUUACIJSA-N 425.554 5.166 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 760793096 WFUYFXMAFMUTCF-UHFFFAOYSA-N 446.869 5.486 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc2c(c1)CCCC2 761077773 JUCBJSNTRVJYPA-SIBVEZHUSA-N 437.543 5.037 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(-c3ccccc3)o2)cs1 761803430 BADSXAWODHTYOE-FMIVXFBMSA-N 448.931 6.637 30 20 IKED COc1ccc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cc1-c1ccccn1 764751064 ZTZJYUFNBWBHMA-UHFFFAOYSA-N 443.290 5.085 30 20 IKED CC1(C2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)OCCO1 768967345 LZULXVMJSSWBSR-OAQYLSRUSA-N 439.943 5.002 30 20 IKED C#CCCCCc1nc(CC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)no1 771106599 FRWRAAFTFLRBLN-UHFFFAOYSA-N 435.336 5.027 30 20 IKED CC(C)(C)C[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1ccc(Cl)cc1 775454234 IEDMMINONUTPDI-PZJWPPBQSA-N 432.955 5.644 30 20 IKED CCN(Cc1cccc(NCc2cn(C)nc2-c2ccc(C#N)cc2)c1)C(=O)OC(C)(C)C 778103548 TWUNJKTVYKEHOI-UHFFFAOYSA-N 445.567 5.328 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 778263917 AYVYURCHOOCZFF-SFHVURJKSA-N 449.551 5.116 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 780675483 QYZSFTQYIVFLQP-VBKZILBWSA-N 428.330 5.403 30 20 IKED C=C[C@](C)(CCOC)COC(=O)c1ccccc1NC(=O)c1ccccc1Br 784632882 GBICUBZOWPYUKX-JOCHJYFZSA-N 446.341 5.087 30 20 IKED C#CCC1(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)CCCCC1 788451379 BCMNTVKGKFQOHZ-UHFFFAOYSA-N 430.335 5.553 30 20 IKED CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=S)Nc1ccccc1C#N 795031220 IUOJVQZBJNUKBD-UHFFFAOYSA-N 442.799 6.006 30 20 IKED N#Cc1ccc(C[C@H](C#N)C(=O)OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 795818729 ZIUFZISTRBEMCE-QGZVFWFLSA-N 441.434 5.126 30 20 IKED C[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 795984939 WWJNXGXHQYCWFG-DZGCQCFKSA-N 430.291 5.735 30 20 IKED CC[C@@H](C#N)Oc1cc(CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)ccc1OC 797435462 RTVXGHIBMBTROF-SFHVURJKSA-N 436.443 5.098 30 20 IKED C=CC[C@@H](OC(=O)CCc1c(C)nc(SC)nc1O)c1ccc(Cl)c(Cl)c1 797553062 QKRWZGPLILRPHO-MRXNPFEDSA-N 427.353 5.313 30 20 IKED N#CC1(CCCOC(=O)[C@@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)CCOCC1 801459310 RNAJYNCEONJVKW-NRFANRHFSA-N 448.346 5.757 30 20 IKED COc1ccc([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(C)c1OC 806200929 PUVWNYQRCQATHN-JPYJTQIMSA-N 429.520 5.550 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 808938657 YGWYBGBORMDZDB-UHFFFAOYSA-N 436.170 5.691 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1ccccc1OCc1ccc(F)cc1 816182534 LRXFRSNFEDRIHG-GOSISDBHSA-N 448.494 5.231 30 20 IKED CN(C(=O)c1cccc(C(=O)N(O)Cc2cc(Cl)cc(Cl)c2)c1)c1ccccc1 901377908 CDGFVCMFKXVFDG-UHFFFAOYSA-N 429.303 5.302 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(C[C@@H](C)N(C)C(=O)OC(C)(C)C)no1 904658952 VVNJUHNUSORXQC-CYBMUJFWSA-N 441.450 5.118 30 20 IKED CC[C@@H](C)c1ccc(N=C2NC(=O)[C@H](CC(=O)Nc3ccccc3C(F)(F)F)S2)cc1 916232721 PGKTVMJNXVOIJB-ACJLOTCBSA-N 449.498 5.467 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NN(c2ccccc2)c2ccccc2)cs1 916250037 UFQCEEXRTAQUIL-UHFFFAOYSA-N 446.963 6.653 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2ccc(Cl)c(C(=O)O)c2)cs1 916259527 NSECUENOXGSASR-UHFFFAOYSA-N 442.928 5.242 30 20 IKED Cc1ccccc1-c1nnc(S)n1N=Cc1c(C)nn(-c2ccc(Cl)cc2)c1Cl 916341937 PVOWIQHCQLYDDW-UHFFFAOYSA-N 443.363 5.225 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl 916905360 NZWHRGLAXBDCQC-CXAGYDPISA-N 449.403 5.946 30 20 IKED Cc1nc(C(F)(F)F)ccc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 917425891 FREXZOKAOHFNFQ-QGZVFWFLSA-N 439.393 5.162 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3C)n2)cc1 920139871 ZYCSONGOAOUBBN-KBXCAEBGSA-N 426.925 5.424 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc4c3OCC4)cc2)CCC1 1788901649 OIDWSJPPHZPENM-JOCHJYFZSA-N 430.548 5.138 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cc4cnccc4[nH]3)cc2)CCC1 1789356951 HMKGUBOFNLHKMX-UHFFFAOYSA-N 428.536 5.079 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@H]4Sc5ccccc5[C@@H]43)cc2)CCC1 1789529489 HQROGOFOLYHASL-DSITVLBTSA-N 444.600 5.202 30 20 IKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc4occ(Cl)c4c3)cc2)CCC1 1790091908 DCQNYUAPVDFVKL-ZDUSSCGKSA-N 428.941 5.152 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CC[C@@H]3CNc4ccccc4C3)CCC2)cc1 1791246769 BTJMHZQMCIVRKU-RTWAWAEBSA-N 445.607 5.397 30 20 IKED Cc1ccc(S/C=C/C(=O)NC2(c3ccc(NC(=O)[C@H](C)S)cc3)CCC2)cc1 1791575150 IBOFUDTYAORKOC-VMEIHUARSA-N 426.607 5.053 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2scnc2C2CC2)CC1 1825644241 WBWRHTUHMIYYBU-NRFANRHFSA-N 441.641 5.022 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1828151372 BWLDXWIVLMFDMF-GAJHUEQPSA-N 442.003 5.267 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 1829066844 WKINTVPJIIEGDW-DEOSSOPVSA-N 435.612 5.394 30 20 IKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)CC1 1830423799 FZBCJOHAUVJWHM-XMMPIXPASA-N 428.661 5.406 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc3ccccc3c2)CC1 1832028998 QCVJLRMRMWLISH-MHZLTWQESA-N 444.619 5.196 30 20 IKED C=CCn1c(SCC(=O)c2cc(C)n(CC(F)(F)F)c2C)nnc1-c1ccccc1 9448802 ZESSAMZGDCYJJC-UHFFFAOYSA-N 434.487 5.087 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)(C)C)cc1)=C(/S)Nc1ccc(C)cc1C 10168655 SWEHMOVNSHDGCZ-UHFFFAOYSA-O 445.652 6.502 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2cccc(CC)c2)cc1 10174747 PGAINYAVELNKHL-UHFFFAOYSA-O 445.652 6.663 30 20 IKED Cc1cc(C(=O)/C(=C(\S)Nc2ccc(Cl)cc2)[n+]2ccc(N(C)C)cc2)c(C)s1 10832948 XDHITTVBHLQIBO-UHFFFAOYSA-O 445.033 5.423 30 20 IKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nnc(C(C)C)n3C)c2C#N)C1 13995371 ADSYDXDBXVBGMG-AWEZNQCLSA-N 445.658 5.144 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cc(C)ccc2C)cc1 22729732 JSNKSHYRHIBULY-UHFFFAOYSA-O 439.551 5.873 30 20 IKED CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccccc1 26008687 YPLRPENWCBABOL-SFHVURJKSA-N 445.573 5.057 30 20 IKED COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(OCc3ccccc3C#N)cc2)c1 32052824 MGAAGFGCMPOTCR-RUZDIDTESA-N 442.515 5.132 30 20 IKED C=CCn1c(S[C@@H](C)C(C)=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 39565836 RPVYWDWRHANGHG-SFHVURJKSA-N 428.561 5.724 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(C(=O)NC3CCCCC3)CC2)cc1 62407378 JZRJTSWFMPUGLA-UHFFFAOYSA-N 446.551 5.043 30 20 IKED N#Cc1ccc(-c2nnc(CSc3nnc(-c4ccc(F)cc4)c4ccccc34)o2)cc1 303859454 GEKXYPWOTKSWME-UHFFFAOYSA-N 439.475 5.650 30 20 IKED COc1cccc([C@H](C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 410049945 RIAMXMDVHBAFRP-ZDUSSCGKSA-N 445.466 5.375 30 20 IKED CN1CCC[C@@H](CNC(=O)c2cccc(SCC#N)c2)[C@H]1c1ccc(C(F)(F)F)cc1 430647112 XOUWMFYPVLWBGR-GHTZIAJQSA-N 447.526 5.134 30 20 IKED N#CCCC[C@@H](c1ccccc1)N1C(=O)[C@@H](c2ccc(Cl)cc2Cl)N(C2CC2)C1=O 432029075 AKGVKKVPUNTJLL-LEWJYISDSA-N 442.346 5.896 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1)c1ccccc1 435766041 UHFTXSAAFOHDPQ-RBBKRZOGSA-N 434.515 5.472 30 20 IKED N#Cc1ccnc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C4)C3)c1 436016587 LKXISFQURYTACL-ZYKQFOSWSA-N 431.380 5.014 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)cc1 438701208 XXTVVBGMUSIYSU-UHFFFAOYSA-N 431.496 5.442 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3cc(C(F)(F)F)ccc3F)c2)cc1 439381335 CKBDSLAGYJGKFB-UHFFFAOYSA-N 443.356 5.086 30 20 IKED C[C@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nc(Cc2ccc(Cl)cc2)no1 439590098 JAWKLNINAMBPNI-INIZCTEOSA-N 430.895 6.151 30 20 IKED CCSc1cccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 440350880 CEADSGXWFADTDJ-OAQYLSRUSA-N 449.963 5.685 30 20 IKED CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1 443877285 LHFWPCVPMNCNGS-UHFFFAOYSA-N 447.535 5.761 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)cc(-c3ccco3)nc21 443881216 HIKAMLVHMFLVHX-UHFFFAOYSA-N 439.397 5.415 30 20 IKED COc1ccc(NC(=O)c2c(F)cc(C(F)(F)F)cc2F)cc1OCC(F)(F)F 463413950 QSBCRFUWZHNFQJ-UHFFFAOYSA-N 429.263 5.186 30 20 IKED C=CCOc1cc(OC)ccc1C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 464539215 BCYZSTXIRXQUGF-UHFFFAOYSA-N 426.900 5.074 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 464864368 LHUVOQLQUKHTBO-UHFFFAOYSA-N 436.515 5.555 30 20 IKED COCc1ccc([C@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)o1 467161937 PGRYEBLHPZLQFR-JTHBVZDNSA-N 449.938 6.104 30 20 IKED CN(Cc1csc2ccccc12)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470538967 UQAVEEUQZZDFAF-UHFFFAOYSA-N 432.549 5.148 30 20 IKED CC(C)c1oc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(C#N)c2)nc1-c1ccccc1 470769756 RWXGOWNRGISJRX-FQEVSTJZSA-N 439.512 5.002 30 20 IKED C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CCC(Oc2ccc(C#N)cc2)CC1 472658836 HLCQZVKATANIMA-AWEZNQCLSA-N 443.334 5.519 30 20 IKED C[C@@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@@H]1c1cccc(F)c1 472694774 UTUNRWIICRQXRT-OSPHWJPCSA-N 442.494 5.565 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CCc1nc(C2CCCC2)no1 474683344 XEQBNMHVVNMJHU-UHFFFAOYSA-N 434.927 5.418 30 20 IKED Cc1cc(C)n(-c2ccc(CNC(=O)C[C@@H](CC#N)c3ccccc3)c(C(F)(F)F)c2)n1 475179628 CTWKMENOQATIJM-LJQANCHMSA-N 440.469 5.212 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 475555868 ZERBUTCHSODGJW-OAQYLSRUSA-N 429.568 5.735 30 20 IKED C[C@@H]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)[C@H](c2ccco2)C1 480315392 PCGWIHCANQRZTE-DVECYGJZSA-N 429.520 5.930 30 20 IKED C[C@@H](Sc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1C#N 481373787 MLRUQBFCUGAONE-CQSZACIVSA-N 449.923 5.172 30 20 IKED CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccccc2OC(F)F)cs1 481497163 XTPZCSYSOWHKRB-UHFFFAOYSA-N 429.448 5.079 30 20 IKED C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 483498578 CXVXJJPJOGGNEP-OALUTQOASA-N 447.560 5.264 30 20 IKED CC(C)(C)OCc1cc(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)no1 485557407 VCNYKYMEWALPEW-UHFFFAOYSA-N 439.899 5.237 30 20 IKED Cc1noc(C)c1COc1ccc(CC(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)cc1 486546818 GKCVGSMBEDVVIE-UHFFFAOYSA-N 447.579 5.124 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccnc(Oc2ccccc2F)c1 488307038 JSUNPDQWEQJCRK-MRXNPFEDSA-N 436.512 5.586 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C(=O)Nc3ccccc3)c3ccccc3)o2)cc1 489799003 RRPRZTKVRAXHGI-JOCHJYFZSA-N 443.528 5.774 30 20 IKED Cc1ccc([C@@H](Nc2cccc(OCCCC#N)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 494946401 DFXFPENIBKKKEQ-SANMLTNESA-N 448.588 5.591 30 20 IKED CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)CSCc2ccc(C#N)cc2)cc1 496466397 FRELAZJSVJWHCQ-SANMLTNESA-N 429.589 5.387 30 20 IKED CN(c1ccccc1)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cn1 496572644 MODPQJUEBXTJRW-NRFANRHFSA-N 435.512 5.335 30 20 IKED CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 497456057 XDSNGNRXPYNMLO-KNQAVFIVSA-N 449.620 5.008 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cccc(O[C@H](C)CC)c2)nnc1-c1ccco1 497650303 CTRDSOFLGPNVOR-MRXNPFEDSA-N 426.542 5.022 30 20 IKED N#C[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1c(Cl)cccc1Cl 499846615 KDAYLXGAYBTGGK-GFCCVEGCSA-N 442.780 5.755 30 20 IKED Cc1nc(COc2cccc(C(=O)N(Cc3ccco3)c3ccccc3C#N)c2)cs1 501002058 SNTVNRXSBAMWQU-UHFFFAOYSA-N 429.501 5.342 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)c2)cc1 501453017 MCLIAEFVKPAPOU-UHFFFAOYSA-N 448.526 5.647 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(COC(C)C)cc1 502605090 WJWVKKMFAISOMA-UHFFFAOYSA-N 435.337 5.733 30 20 IKED Cc1ccccc1CN(Cc1cccnc1)C(=O)Nc1ccccc1SC[C@H](C)C#N 503223061 CMGPNECCOJLUDE-LJQANCHMSA-N 430.577 5.876 30 20 IKED CCCOc1ccc(-c2nc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cs2)cc1 504003011 DZIVCBWIQYRSBE-UHFFFAOYSA-N 429.545 5.400 30 20 IKED CSc1nc(C(C)C)nc(C)c1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 505346801 YEUXQLOKGPMRPG-OAQYLSRUSA-N 446.576 5.204 30 20 IKED C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2cccs2)C1 508471297 FWQVMURUXVYILR-QGZVFWFLSA-N 433.002 5.049 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F 509278333 GWPFEMZCGSGFGE-HRCADAONSA-N 435.339 5.638 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn(CC(C)C)c1C1CC1 510568752 GYUODQKWQLPOTK-UHFFFAOYSA-N 428.536 5.428 30 20 IKED COc1cc(CN(C)C(=O)CSCc2ccc(C#N)cc2)ccc1OCc1ccccc1 514558231 YDXBSLBHDZSASI-UHFFFAOYSA-N 446.572 5.038 30 20 IKED COc1ccc(NC(=O)[C@@H](Sc2nc3c(cc2C#N)CCCC3)c2ccccc2)cc1 514737155 SWFJNONSXGOXJJ-QHCPKHFHSA-N 429.545 5.313 30 20 IKED CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1cccc(C)c1 514954966 SPLFTKXQGZDYAN-FQEVSTJZSA-N 447.608 5.318 30 20 IKED N#CCCCn1cc(-c2nc(-c3cc(Cl)ccc3O[C@@H]3CCOC3)no2)c2ccccc21 515492510 MTBHZLPWYQLTKR-QGZVFWFLSA-N 448.910 5.483 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)CCc1ccc(Br)cc1 518681684 FSPYXFKNLGTQKI-HZPDHXFCSA-N 446.414 5.844 30 20 IKED CCCN(Cc1c(F)cccc1Cl)C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 519442549 PFFYGXSKFHFSSA-OAHLLOKOSA-N 447.963 5.108 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C)nc4onc(C(C)C)c34)n2)cc1 520470376 AKLGHAYNNSRKPL-QGZVFWFLSA-N 432.505 5.277 30 20 IKED COc1ccc([C@@H](NC(=O)CCCCOc2cccc(C#N)c2)c2ccc(F)cc2)cc1 521954281 JXGVXEGOXJQFDI-SANMLTNESA-N 432.495 5.161 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)cc1 524111327 YCHFGNFWPVPVER-NRFANRHFSA-N 447.495 5.138 30 20 IKED CC(C)[C@@H](Sc1ccccc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 524278255 JXSARDCIVNTPBA-GOSISDBHSA-N 440.619 5.457 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)c1 524379775 XLOZOEVQFHJEMF-UHFFFAOYSA-N 439.365 5.554 30 20 IKED CCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cnn1Cc1ccccc1 524390891 ILKPXJXKMPFOQJ-UHFFFAOYSA-N 436.515 5.197 30 20 IKED C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524683043 AVDADLDRXXMINT-INIZCTEOSA-N 435.911 5.721 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(OC3CCOCC3)cc2)cc1 525141271 YXBOVKXBQIKMDB-UHFFFAOYSA-N 442.515 5.142 30 20 IKED CCN(Cc1csc(N(C(C)=O)c2ccc(C)cc2C)n1)[C@@H](C)c1ccc(C#N)cc1 533776547 ZWLFJOBQJNRCBK-IBGZPJMESA-N 432.593 5.899 30 20 IKED CC[C@H](C)n1ncc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1C1CC1 534968369 NWTZDSQIKUFQSD-SFHVURJKSA-N 443.551 6.021 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1Cl 536377864 LYDPRJYANGJNFX-UHFFFAOYSA-N 431.879 5.605 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Br)cc1Cl)c1nc2ccccc2n1C(F)F 539199220 CRBTTZSGFDYCJL-SNVBAGLBSA-N 439.647 5.093 30 20 IKED CC[C@@H](NC[C@H](C#N)CCC#N)c1ccccc1OCc1ccccc1Br 539260937 JJWKMVQWSVJDFE-LAUBAEHRSA-N 426.358 5.512 30 20 IKED CCS[C@@H](C)c1noc(CN(C)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 541159180 WIOHDDJWSZMYPS-IRXDYDNUSA-N 449.580 5.325 30 20 IKED C[C@@H](NC(=O)N(C)Cc1nc(C(F)(F)F)cs1)c1ccc(-c2cccc(C#N)c2)cc1 542086863 XUWQKHGGQKMHCR-CQSZACIVSA-N 444.482 5.603 30 20 IKED COc1ccc(C[C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC 553024332 OQCDGPUUUASTAO-SFHVURJKSA-N 445.519 5.429 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)Nc1ccc(Oc2ccccc2)cc1 554870847 IREUYVGIOLEMEN-UHFFFAOYSA-N 443.890 5.266 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)c1 557080292 ZKAZCFGNQCONHF-HSZRJFAPSA-N 436.458 5.432 30 20 IKED CC(C)[C@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)c1ccc(C(C)(C)C)cc1 559029565 PWESCOAKFTYKHY-QHCPKHFHSA-N 435.568 5.119 30 20 IKED CCNc1ccc(C#N)cc1NC(=O)Cc1csc(-c2cc(Br)cs2)n1 560588668 ULIREWYRQNEVGY-UHFFFAOYSA-N 447.383 5.119 30 20 IKED CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N[C@@H](CCCC#N)c1ccccc1 561302564 JUZMEPIJQQEUFE-SFHVURJKSA-N 429.973 5.330 30 20 IKED CCO[C@@H](c1noc(C[C@@H](CC#N)c2ccccc2)n1)c1ccc(F)cc1C(F)(F)F 571005505 MNLTXLTYILRNIH-FOIQADDNSA-N 433.405 5.593 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1)[C@H]1C[C@@H]1C 572635006 DKXMRRHXZMCEMI-SBUREZEXSA-N 425.488 5.364 30 20 IKED COc1ccccc1-c1nnc(SCc2ccc(C#N)cn2)n1-c1ccc(Cl)cc1 580393318 GKZHAQKBISANIQ-UHFFFAOYSA-N 433.924 5.155 30 20 IKED CC(C)n1ncc2c(C(=O)N(Cc3ccccc3)c3ccccc3C#N)cc(C3CC3)nc21 603532611 GYNMOHOZBRAXHA-UHFFFAOYSA-N 435.531 5.608 30 20 IKED C[C@@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)NC(=O)C1CCCC1 608903546 SPBLBIVMLMLYGB-HNNXBMFYSA-N 425.916 5.027 30 20 IKED Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(C)n1CC(F)(F)F 609073753 UTUIUQHTSJSWDZ-UHFFFAOYSA-N 427.426 5.370 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)n1 609440883 LKVJYUUXTFCEKV-KRWDZBQOSA-N 443.484 5.132 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3c(-c4ccccc4)ncn3C3CC3)cc2)cc1 609503020 VWAYJKDKKDWADZ-UHFFFAOYSA-N 434.499 5.996 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC(c1cccs1)c1cccs1 610017064 ASEVIMMBBYMMQH-UHFFFAOYSA-N 445.569 6.693 30 20 IKED CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)c1 610197572 PMUBDVCTFAGPPQ-HXUWFJFHSA-N 440.975 5.552 30 20 IKED Cc1ccc(C(=O)N(C)c2cccc(C#N)c2)cc1OCc1csc(Br)c1 610225568 KYBSWTGUQGINJY-UHFFFAOYSA-N 441.350 5.546 30 20 IKED C[C@H](NC(=O)[C@@](C)(Cc1nc2ccccc2s1)c1ccccc1)c1cccc(C#N)c1 610360049 QNPQKZWKPRKVPS-QYBDOPJKSA-N 425.557 5.546 30 20 IKED C[C@@H](NC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1)c1cccc(C#N)c1 610362694 UBBRAGXRCKJOKP-ZHRRBRCNSA-N 435.321 5.318 30 20 IKED Cc1cccc(Oc2ccc(Cl)cc2NC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)c1 610385036 KVWBCMRCOZBINF-MRXNPFEDSA-N 433.895 5.128 30 20 IKED C[C@H](NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cccc(C#N)c1 610400600 JHQGKABZBDLJIQ-SFHVURJKSA-N 439.494 5.110 30 20 IKED N#Cc1cccnc1OC1CCC(NC(=O)c2sc3cc(F)ccc3c2Cl)CC1 615023902 QOSSOWPMUQJFFZ-UHFFFAOYSA-N 429.904 5.080 30 20 IKED O=C(c1ccc(-c2ccc(F)cc2)s1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618297182 DEXCDQSLGLSWAR-VXGBXAGGSA-N 425.369 5.757 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)c(Cl)c1 619422046 UZFVDHGRIKLPTC-UHFFFAOYSA-N 425.319 5.656 30 20 IKED N#Cc1ccc(CNC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1Cl 619825856 BFHBVTKOEDHZLK-UHFFFAOYSA-N 429.307 5.095 30 20 IKED COc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(OC(C)C)c1 682766505 ZGIXUTJZHUVLPR-HNNXBMFYSA-N 434.439 5.601 30 20 IKED C=CCn1c(C2CC2)nn(CN2CCC[C@@H]2c2cc(Br)ccc2OC)c1=S 725777429 HMTJPCOBNPNAOM-QGZVFWFLSA-N 449.418 5.043 30 20 IKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc3c(c2)CCCC3)[n+]2ccccc2)cc1Cl 726571355 UYXGYVHUBLXHDM-UHFFFAOYSA-O 446.983 5.701 30 20 IKED N#C[C@H](C(=O)CSc1cc2c(cc1Cl)OCCO2)c1nc(-c2ccccc2)cs1 727268540 PIBWTGNXQMASJK-CQSZACIVSA-N 442.949 5.203 30 20 IKED N#C[C@@H](C(=O)CN1CCC[C@@H]1c1ccccc1C(F)(F)F)c1nc2ccccc2s1 728057893 CDHGCTVRTZSVEE-MAUKXSAKSA-N 429.467 5.328 30 20 IKED COc1cccc([C@H](C#N)NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)c1OC 729427179 HEKQBDAPXLDAAB-QFIPXVFZSA-N 442.471 5.024 30 20 IKED COc1ccc(-c2nnc(S)n2N=Cc2cccc(-c3ccccc3C)c2)cc1OC 729635784 MKNYPVATDBZTEH-UHFFFAOYSA-N 430.533 5.109 30 20 IKED N#C[C@@H](C(=O)CSCc1ccc(Br)cc1)c1nc2cc(F)ccc2s1 730422189 QKILLZVTPRSKIJ-AWEZNQCLSA-N 435.343 5.308 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1=S 731026576 BILLVNJLVFKGCB-JOCHJYFZSA-N 430.581 5.328 30 20 IKED Cc1ccccc1-c1nn(-c2ccccc2)cc1/C=C\C(=O)c1ccc(C(F)(F)F)nc1O 731564702 PJJSSHRQYPZFHT-QBFSEMIESA-N 449.432 5.863 30 20 IKED C[C@@H](Oc1ccccc1Br)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 732733444 KKVJQUGZBSUIKE-UZLBHIALSA-N 435.321 5.511 30 20 IKED Cc1c(Cl)cc(NC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1Cl 740503223 METLOFRWHXUQSH-UHFFFAOYSA-N 444.343 5.157 30 20 IKED CN1/C(=C/C(=O)CSc2nnc(-c3ccc(Cl)s3)o2)C(C)(C)c2ccccc21 741477157 ZVJYJUSRPGCDTC-MHWRWJLKSA-N 431.970 5.424 30 20 IKED N#Cc1ccc(F)c(CNCc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)c1 742381770 ISJFRVOUOSCJGN-UHFFFAOYSA-N 436.490 5.645 30 20 IKED COc1ccc(N(CC(=O)c2cn(CCC#N)c3ccccc23)Cc2ccco2)cc1F 746671216 BIHVPLPOHNNPQL-UHFFFAOYSA-N 431.467 5.185 30 20 IKED C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 747108953 NBERJQOULSMAIX-CJNGLKHVSA-N 433.961 5.143 30 20 IKED N#Cc1ccc(Oc2ccc(OC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)cc2)cc1 749068119 VTIUEAWRYQHLRU-FQEVSTJZSA-N 441.487 5.200 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)cc1 752213615 URSURPVBVNRSCB-XMMPIXPASA-N 431.923 5.964 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(OCc4ccccn4)cc3)n2)cc1 752475714 FGAMPWWAFDFPPQ-HSZRJFAPSA-N 439.540 5.512 30 20 IKED COc1ccc(/C=C(\C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1F 755609932 LPUGRCZVUAJMLH-DPQIITEBSA-N 434.414 5.743 30 20 IKED C[C@@H](OC(=O)CSCc1ccc(C#N)cc1)c1nnc(-c2ccc(Cl)cc2Cl)o1 757990389 GBUPINYDUDIGRZ-GFCCVEGCSA-N 448.331 5.453 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SC[C@@H](O)c1ccc(Cl)cc1Cl 759070723 YJTSXPHOKNXWPR-GOSISDBHSA-N 436.364 5.176 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1Cl 761525013 SYHHMHLWMBTAJZ-UHFFFAOYSA-N 431.835 5.101 30 20 IKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2F)=C(/O)c2ccc(C#N)cc2)cc1 762439262 PXCAFDPQBDGXOH-UHFFFAOYSA-O 446.571 6.212 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc2c(ccn2Cc2ccccc2)c1 763929603 HXUHLJDFQPOJMK-QFIPXVFZSA-N 427.891 5.304 30 20 IKED CCOc1ccc(-n2c(SCc3ccc(OCC#N)cc3)nnc2-c2ccco2)cc1 765359685 QUWFXQGPWGZEBB-UHFFFAOYSA-N 432.505 5.121 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 767880900 DQSSZCANSXSLOQ-KSSFIOAISA-N 436.512 5.439 30 20 IKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)/C=C/c2cccc(Cl)c2)cc1 768883794 XYWXBDDTQZCFFT-FYWRMAATSA-N 438.936 5.398 30 20 IKED Cc1cc(NCc2cccc(OCc3cccc(C#N)c3)c2)ccc1OC1CCOCC1 770582067 QCLSPXMCMWYEEN-UHFFFAOYSA-N 428.532 5.616 30 20 IKED N#CCCCn1cc(C(=O)OCc2ccccc2NC(=O)c2ccco2)c2ccccc21 774110716 QVORQGWFBCHORG-UHFFFAOYSA-N 427.460 5.147 30 20 IKED C=CCC[C@@H](C(=O)OCc1nnc(-c2ccc(Br)cc2)o1)c1ccccc1 778559780 VHPJPJHJXOXIJV-GOSISDBHSA-N 427.298 5.292 30 20 IKED N#C[C@H](C(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1)c1ccc2ccccc2n1 780302615 PUJQHSJZBCQVNG-WIOPSUGQSA-N 435.483 5.079 30 20 IKED COc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC1CCCC1 784829446 QIZQGCWRLWXBFT-SFHVURJKSA-N 447.318 5.285 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(COc2ccc(Cl)nc2)CC1 788599307 UNGCEJGUXAXXRP-MRXNPFEDSA-N 444.988 5.452 30 20 IKED CCC[C@H](CCCS(C)(=O)=O)C(=O)N1CCCSC1=Nc1ccccc1C(C)C 790622060 CVVAVILOSFCWFO-GOSISDBHSA-N 438.659 5.004 30 20 IKED N#C[C@H](C(=O)CSCc1ccc(C(F)(F)F)cc1)c1nc(-c2ccccc2)cs1 794440476 FEGJZRDNTQXXCB-QGZVFWFLSA-N 432.492 5.939 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CC[C@H](C(F)(F)F)[C@H]2C)c1=S 794663700 VCSHNQSAOFABGJ-CJNGLKHVSA-N 446.926 5.063 30 20 IKED Cc1ccc2c(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)csc2c1 796632385 KYASEZVGBGVATA-LJQANCHMSA-N 426.497 5.963 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@H](OC(=O)c1cc(C#N)ccc1Cl)C(F)(F)F 808466936 SKMOVORUJQYDLJ-IBGZPJMESA-N 433.817 5.475 30 20 IKED O=C(COC(=O)c1c(F)cc(C(F)(F)F)cc1F)Nc1ccccc1SC(F)F 811417814 GQIFSCHCQKPASF-UHFFFAOYSA-N 441.324 5.094 30 20 IKED N#Cc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)nc3)C2=O)c(C(F)(F)F)c1 811624860 UQCDJUUPCYWRNF-MLPAPPSSSA-N 425.844 5.031 30 20 IKED CC(=O)N(c1ccc(NCc2cccc(OCc3cccc(C#N)c3)c2)cc1)[C@@H]1C[C@H]1C 815163040 GXTCKSKIJJLISZ-XHCCPWGMSA-N 425.532 5.511 30 20 IKED C=CCc1cc(OCC)ccc1OC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 864094760 AETSBLPHEPLPOR-UHFFFAOYSA-N 430.913 5.215 30 20 IKED Cc1csc(SCc2ccccc2C(=O)Nc2nc(C)c(SCC#N)s2)n1 916088646 XXANJVCWSCDSKJ-UHFFFAOYSA-N 432.621 5.377 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cccc(OCc2cccs2)c1 916938329 KMUDYWJIOSUTKS-QGZVFWFLSA-N 428.872 5.081 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)cc1 916951156 XIZLMNDNNRPMKS-JTSKRJEESA-N 449.551 5.437 30 20 IKED CSc1cc(C2=NNC(=Nc3ccccc3C(F)(F)F)SC2)ccc1NC(C)=O 917626045 DOHXDRKEYYJBSK-UHFFFAOYSA-N 438.500 5.114 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 920105530 HOFQKBBVLLECGT-ISKFKSNPSA-N 448.478 5.136 30 20 IKED N#C[C@@H](COC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Cc1ccc(F)cc1 920876199 FVUQSWPTTNRLPW-HNNXBMFYSA-N 448.441 5.436 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(N2CCOC2=O)c1 920977532 ZVXMAUCCIULFGL-KOSHJBKYSA-N 440.503 5.181 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3sc(C)nc3C)CCC2)cc1 1785840940 PXTMOWKIOQSKDC-UHFFFAOYSA-N 425.598 5.500 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccco4)cc3)CCC2)c(Cl)c1 1786903034 MQSRGJGSOORDBH-UHFFFAOYSA-N 447.922 5.185 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccsc4)cc3)CCC2)cc1 1788186185 JFZCJRSQLZEZHV-UHFFFAOYSA-N 429.545 5.000 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@H]4c4ccccc4)CCC3)cc2)c1 1790258050 BDJUFJONWOSVOW-LOSJGSFVSA-N 435.527 5.110 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)c2ccc(Cl)cc2)n[nH]1 1814660352 KHEJONDOCVJUPW-FTRWYGJKSA-N 428.964 5.071 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccsc2)n[nH]1 1815983517 BPACUELJBYLTDH-CSHXORCISA-N 426.586 5.169 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CSc2ccccc2)n[nH]1 1816947894 FYKBTRXPQZLUJQ-FQEVSTJZSA-N 440.613 5.187 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823211918 CUJBTCUGATVSIQ-XMSQKQJNSA-N 447.583 5.335 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](CCC)n2cccc2)CC1 1827630158 SVHJMTBZLFKEHU-SDHSZQHLSA-N 439.644 5.217 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 1829976451 TUHVYPMUTJYCIW-IERDGZPVSA-N 437.411 5.439 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccncc23)CC1 1830862683 QMKXVYPSJPOMCC-RUZDIDTESA-N 447.623 5.461 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3sccc3s2)CC1 1831372892 KNLCJGAPTPPZKJ-WMZOPIPTSA-N 430.639 5.408 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(N(CC)C(C)C)cc2)nnc1-c1ccccc1 9334560 FJSUCIILGJIZCI-UHFFFAOYSA-N 435.597 5.097 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)c(F)c1)=C(/S)Nc1ccc(C)cc1C 10168618 FDEITDNZOORIFO-UHFFFAOYSA-O 425.524 5.482 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)ccc1C)=C(/S)Nc1ccc(C(C)C)cc1 11264061 ZDIBHMYZSJHXSC-UHFFFAOYSA-O 431.625 6.328 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1Cl 14133504 BSLMSOKFBCUBGA-UHFFFAOYSA-N 449.363 5.177 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccccc2CC)[n+]2ccc(C(C)(C)C)cc2)cc1 14871920 KMTGTUUHVHAHOB-UHFFFAOYSA-O 445.652 6.447 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)n1 26143527 SPLRXPFSAURHHR-NWDGAFQWSA-N 427.879 5.292 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)CC)nc2sc(-c3ccccc3)c(C)c2c1=O 26640016 DVCKVTDHFUXOQH-ZBFHGGJFSA-N 441.622 5.015 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 27861155 KFFYZWPIIVUTSZ-FQEVSTJZSA-N 429.545 5.031 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)C(C)C 32785450 QJJIRARYMMNKIA-YADARESESA-N 446.620 5.149 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2csc(-c3cccs3)n2)cc1 59326902 ZTVYCNCCZUZCBY-UHFFFAOYSA-N 433.533 5.725 30 20 IKED N#C[C@@H](C(=O)c1cccc(-n2nccc2-c2ccccc2)c1)c1ccc(C(F)(F)F)cn1 63235140 KZSAHPNEDXWNGX-HXUWFJFHSA-N 432.405 5.443 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 64240338 AABSESBOMHJPHE-UHFFFAOYSA-N 428.511 5.122 30 20 IKED Cc1c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)sc2ccc(F)cc12 64680415 FGQASUDVRKYFHY-UHFFFAOYSA-N 440.550 5.617 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(COc2ccccc2OC)o1 107776395 MKGKVOUULNBRKW-UHFFFAOYSA-N 427.840 5.010 30 20 IKED N#C[C@@H](C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1nc(-c2ccncc2)cs1 195662278 YHXXLUQXWVNSQU-FQEVSTJZSA-N 439.500 5.339 30 20 IKED CC[C@H]1Oc2cc([C@@H](C)NCc3cccc(OCc4ccccc4C#N)c3)ccc2NC1=O 237085096 MSVQVBMRJZYDAA-IQGLISFBSA-N 441.531 5.098 30 20 IKED C=CCn1c(Sc2ncnc3sccc23)nnc1-c1ccc(Br)cc1 301101599 RQXCDAXVXZTWRH-UHFFFAOYSA-N 430.356 5.050 30 20 IKED O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 303680380 MFPDCDDPQSAZRI-UHFFFAOYSA-N 433.323 5.014 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1C[C@@H](CO)[C@H](c2ccc(Cl)cc2)C1 427810985 HQKWZPVMWCXTAI-UGKGYDQZSA-N 448.975 5.211 30 20 IKED C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 428788264 MCRXKRSECISXSD-CJNGLKHVSA-N 429.307 5.129 30 20 IKED C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1cccc(SCC#N)c1 429941694 ZIAGSAQWDOHLTR-HOTGVXAUSA-N 441.984 5.611 30 20 IKED N#Cc1ccc(NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)c(Cl)c1 430355179 PDABTVLWCVCCLH-UHFFFAOYSA-N 441.984 5.253 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Br)cc([N+](=O)[O-])c3)n2)cc1 431167092 BHZZNCIKJPBOSJ-INIZCTEOSA-N 442.294 5.279 30 20 IKED Cc1c(C(=O)Nc2cc(F)ccc2NC(=O)c2ccccn2)sc2ccc(C#N)cc12 431444189 HYZAHTKCLATYBU-UHFFFAOYSA-N 430.464 5.120 30 20 IKED CN(C)Cc1ccc(-c2ccccc2CNC(=O)N[C@H](CCCC#N)c2ccccc2)cc1 431779809 VNXCRWKTEGBOKA-HHHXNRCGSA-N 440.591 5.650 30 20 IKED CC1(C)CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)[C@H]1c1cccnc1 432922008 IUNWHWSAMLRSKA-DEOSSOPVSA-N 426.520 5.342 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 437743001 ARSVFPGLXZAUPY-WOJBJXKFSA-N 449.448 5.407 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1 438051275 GHLSFWRHUIKAPP-UONOGXRCSA-N 425.489 5.153 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)cc1F 438650252 PMVZSJHGCDULSC-CPJSRVTESA-N 445.494 5.779 30 20 IKED C=C[C@H](Cc1nc(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)no1)c1ccccc1 445756752 CTMBFUVKBCUADX-HUUCEWRRSA-N 430.335 5.309 30 20 IKED O=S(=O)(Nc1cc(F)c(OC(F)F)cc1F)c1c(Cl)cccc1C(F)(F)F 447276067 XNUJFAKZAHIJGL-UHFFFAOYSA-N 437.720 5.039 30 20 IKED CCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 464273574 BQNVUHNWZHWKCW-LJQANCHMSA-N 445.441 5.099 30 20 IKED Cc1csc([C@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C2CC2)n1 466098415 QBOZLPFSGKYDNI-JOCHJYFZSA-N 432.549 5.369 30 20 IKED C[C@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)Oc1cccc(Cl)c1 466190382 AQVMKNAFICOXCJ-GOSISDBHSA-N 449.938 5.574 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cc2cc(Br)ccc2[nH]1 467337024 SWCQVZADQWKTBL-CYBMUJFWSA-N 443.370 5.504 30 20 IKED Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N(CCC(F)(F)F)CC(F)(F)F 468549383 VOPQAXVZZHHBDF-UHFFFAOYSA-N 432.336 5.354 30 20 IKED Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 470779302 MOCAXTMKAMDMKM-IBGZPJMESA-N 433.552 5.107 30 20 IKED Cc1c(NC(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)cccc1C(F)(F)F 471839505 OVDASRQVNQQMJF-UHFFFAOYSA-N 432.299 5.005 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 472822215 IAQXGSNAUGKPCK-UHFFFAOYSA-N 435.911 5.071 30 20 IKED COc1cccc(C=C2CCN(CC(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)c1 473020150 FZTKBWPETJSFAR-LJQANCHMSA-N 435.593 5.207 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3ccc(-c4ccccc4C(F)(F)F)o3)CC2)c1 473566672 ZLPILTHMWVSIDS-UHFFFAOYSA-N 440.421 5.521 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(N[C@H](C)C(C)C)c1C 474352511 MRZPBWNCDSRWTJ-LJQANCHMSA-N 428.536 6.071 30 20 IKED CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)C[C@@H](CC#N)c1ccccc1 474589771 NWSYBBYLHMUKEX-QGZVFWFLSA-N 432.351 5.258 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 476172387 ZVBPPUSWQHHOGN-UHFFFAOYSA-N 438.527 5.587 30 20 IKED C=CCN(CC=C)C(=O)[C@@H](C)S[C@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 476211511 UYCIMMQOCNFPHM-ZIAGYGMSSA-N 425.476 5.139 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@@H]3CCCc4cc(Br)ccc43)ccc21 479453907 KLANNWRTYBYKRX-OAQYLSRUSA-N 438.369 5.522 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(OCc3ccccc3)CC2)cc1 479494686 HACDBYBTQFNLHW-UHFFFAOYSA-N 428.557 5.531 30 20 IKED CCN(C[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1)CC(F)(F)F 480550329 HMLYPXRYOWUPBS-SFHVURJKSA-N 446.473 5.089 30 20 IKED COc1cc(N(C)C(=O)c2ccc(Sc3ccccc3C#N)cc2)cc(OC)c1OC 480843511 VUCWMNINDFYIPX-UHFFFAOYSA-N 434.517 5.012 30 20 IKED C=C(C)Cn1c(SCC(=O)N(CC)c2cccc3ccccc23)nnc1-c1ccncc1 481379679 XHXGBFBOFHKPNU-UHFFFAOYSA-N 443.576 5.215 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2cncnc2)cc1F 481875018 ZSHYMARBMWIPFK-UHFFFAOYSA-N 440.453 5.449 30 20 IKED CCC1(CC)Oc2ccc(NC(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)cc2O1 482366689 QDSKZQYWOIUQCM-UHFFFAOYSA-N 439.487 5.060 30 20 IKED Cc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c2cnn(C(C)C)c2n1 490647968 KPBUUUVPNWTAHS-UHFFFAOYSA-N 439.519 5.218 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NCc3cc(C#N)ccc3Br)s2)cc1 492869037 FFAZRHOLODKDST-ZDUSSCGKSA-N 442.382 5.612 30 20 IKED Cc1ccc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)cc1NC(=O)c1ccccc1 496339773 KSHFNDRYSOCNEW-NRFANRHFSA-N 448.320 5.005 30 20 IKED C=CCN(CCc1ccco1)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 497380080 ALXIIXNQRSGHKE-UHFFFAOYSA-N 437.367 5.075 30 20 IKED C[C@H](Cc1ccc(Br)cc1)C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 498161294 BONSJHLITSLIHN-CQSZACIVSA-N 439.275 5.090 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(NC(N)=O)cc1 502501639 MDRUBCLWUKVZHN-YCRPNKLZSA-N 447.926 5.369 30 20 IKED COc1ccc([C@H]2CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)C2)cc1 504886253 WNJKGZQYYLCVRU-QFIPXVFZSA-N 428.557 5.489 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Sc2ccc(C(C)C)cc2)cc1 505112689 GPBRWQXNFNOCJV-UHFFFAOYSA-N 446.620 6.260 30 20 IKED COc1cc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)ccc1OCc1cscn1 505815708 PGRYSUPGDAMRPL-FQEVSTJZSA-N 435.549 5.023 30 20 IKED Cc1oc(NC(=O)[C@H](C)N(C)CCCCCc2cc(-c3ccccc3)no2)c(C#N)c1C 507229463 GUXCCXMWVROORF-SFHVURJKSA-N 434.540 5.095 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(Cl)c(C(=O)Nc4ccccc4)c3)CC2)c1 512916096 FUNPXTXUIFQLEG-UHFFFAOYSA-N 433.870 5.273 30 20 IKED Cc1nc(COc2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)c2)cs1 512954133 XSEQVZUVKYAKAK-LJQANCHMSA-N 432.530 5.039 30 20 IKED CN(Cc1ccc(Br)s1)C(=O)c1cccc(COc2ccccc2C#N)c1 513117914 GTYOWLJTVIQLMR-UHFFFAOYSA-N 441.350 5.233 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)c1 513269182 SDERYFCDXKUDKI-UHFFFAOYSA-N 435.487 5.052 30 20 IKED N#C[C@H](C(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)c1nc2ccccc2s1 513652961 DDIJRICLXUWRQF-QGZVFWFLSA-N 440.553 5.760 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccccc3COc3ccccc3)CC2)c1 517114545 UOGBZBIBXKFXEU-UHFFFAOYSA-N 427.504 5.213 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)cc1 518208398 SVKSPNXIWNWAJR-HSZRJFAPSA-N 445.950 5.180 30 20 IKED CC(C)c1ccccc1OCCNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 523628821 FKLIHEUFYJLUPD-UHFFFAOYSA-N 442.519 5.134 30 20 IKED COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2 525429730 OFRGDJYWAHRZPJ-HNNXBMFYSA-N 447.398 5.095 30 20 IKED C=CCN(C(=O)c1cc(C(CC)CC)no1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 525521702 RXEZOWWGNUJOAV-UHFFFAOYSA-N 426.498 5.443 30 20 IKED C=CCN(C(=O)[C@H](C)c1ccc(F)c(F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 525632643 YJYVVBJYZYQHLQ-CYBMUJFWSA-N 429.448 5.319 30 20 IKED C=CCc1cc(CNCc2ccc(Oc3ccccc3C(F)(F)F)nc2)cc(OC)c1O 525696336 ANTXELJEBJGITH-UHFFFAOYSA-N 444.453 5.625 30 20 IKED COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1-c1ccccn1 534354413 ZCKNWBNVMDQMLE-IBGZPJMESA-N 445.931 6.024 30 20 IKED CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 536485931 ORBOKVQWCIBYPZ-UHFFFAOYSA-N 440.908 5.050 30 20 IKED Cc1ccc(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)cc1NC(=O)c1ccco1 536883934 ARCXXUVJUFSGIZ-UHFFFAOYSA-N 435.483 5.309 30 20 IKED Cc1cc(NC(=O)c2occc2COc2cccc(C#N)c2)nn1-c1ccccc1Cl 538550059 RITHJOXGNKCFNJ-UHFFFAOYSA-N 432.867 5.130 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542054847 CRMNYARUPBRORB-SFHVURJKSA-N 435.531 5.911 30 20 IKED N#Cc1cc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)ccc1Cl 545919869 QREMTXOGEICGJY-UHFFFAOYSA-N 428.250 5.509 30 20 IKED Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(C)(C#N)CC2)n1CC(C)C 549861207 OVVZBUQYUJHMIM-UHFFFAOYSA-N 429.996 5.038 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(C)s2)nc2sc(-c3ccccc3)cc2c1=O 551027815 XTSGMOHNVBJKPP-GFCCVEGCSA-N 426.592 5.324 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)nc2sccc2c1=O 553787225 XLVMLUVQMWQOAH-SNVBAGLBSA-N 440.377 5.070 30 20 IKED CC(C)N(Cc1ccc(NC(=O)N[C@H](CCC#N)c2ccccc2)cc1)C[C@@H]1CCCCO1 563974779 ORVBITMYGOWCHC-IZZNHLLZSA-N 448.611 5.633 30 20 IKED CC[C@H](NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1ccc(OC)cc1 569147313 WHIQRLDBHFSLGN-NRFANRHFSA-N 425.960 5.094 30 20 IKED COc1ccc(Cc2noc(-c3cn(CCCC#N)c4ccccc34)n2)c(Cl)c1OC 573524368 AHJPJTUOPKCUGM-UHFFFAOYSA-N 436.899 5.256 30 20 IKED N#Cc1cc(NC(=O)c2snnc2C2CC2)ccc1Oc1ccc(C(F)(F)F)cc1 576035375 KOBPLDMLBNNMOG-UHFFFAOYSA-N 430.411 5.351 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC(c2cccc(F)c2F)CC1 576085636 YXDPAUWMYUYXPY-MRXNPFEDSA-N 429.536 5.035 30 20 IKED CC1=C(c2ccco2)CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CC1 576720029 ZLBZMIRGGDWFJO-UHFFFAOYSA-N 427.504 5.750 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)c3nccs3)cc2)ccn1 584224790 UUWTVRZIJVOIMC-NRFANRHFSA-N 427.489 5.113 30 20 IKED CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)c2cccs2)cc1 585693065 BFTUIXSAJRKVRX-LLJLJFOGSA-N 445.588 5.216 30 20 IKED C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccc(C(C)(C)C#N)cc1)OCCO3 603656308 IUTHHSKDLFMYIS-SFHVURJKSA-N 445.563 5.679 30 20 IKED Cc1cc(NC(=O)c2ccc(COc3ccccc3C#N)o2)n(-c2cccc(Cl)c2)n1 603952189 MFJWKRSCJUISBI-UHFFFAOYSA-N 432.867 5.130 30 20 IKED COc1cccc(-c2noc([C@H](C)NC(=O)Nc3cccc(C#Cc4cccs4)c3)n2)c1 608273229 OVECPDHOFMFPJQ-INIZCTEOSA-N 444.516 5.089 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C 608793574 HRRKSTJPLLEBFP-DEOSSOPVSA-N 439.519 5.143 30 20 IKED COc1ccc2c(c1)CCCN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3OC)cc1)C2 609137579 SCRKXJWEVGCZID-UHFFFAOYSA-N 443.503 5.348 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3nnc(-c4cccc(Cl)c4)s3)cc2)nc1 609504129 YYBLFRAKKHDULX-UHFFFAOYSA-N 433.880 5.170 30 20 IKED N#C[C@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)c1ccccc1Br 609590665 DPUONJGDBKQVJA-KRWDZBQOSA-N 446.757 5.150 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)c1C 610054547 RWSZNFGDAINEEW-UHFFFAOYSA-N 446.514 5.260 30 20 IKED N#C[C@@H](C(=O)c1ccccc1OCc1ccc(F)cc1)c1nc2ccccc2n1C(F)F 613401931 SIZVAPSEKIUKHQ-SFHVURJKSA-N 435.405 5.640 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnn1-c1ccc(F)cc1 613405298 XIRWKTVXRUVXMI-OAHLLOKOSA-N 444.413 5.438 30 20 IKED O=C([C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618301514 RFYIEXWBFWYTKL-RFQIPJPRSA-N 433.314 5.398 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618539661 NBVGJHPJRRNNRW-DTORHVGOSA-N 442.709 5.953 30 20 IKED O=C(Nc1cccc(C#Cc2ccccc2)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618540574 TUANUYJDFLYLIC-HDICACEKSA-N 440.387 5.681 30 20 IKED O=C(N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1)C1(C(F)(F)F)CCC1 622517957 SGNQWWIHLSJPJN-CYBMUJFWSA-N 449.313 5.357 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)nc2ccccc21 648050549 OFGSFYYNIHKBIG-INIZCTEOSA-N 426.611 5.525 30 20 IKED O=C(Nc1cc(F)ccc1Br)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 675143261 ZGSZTWKUCSJMMO-YUMQZZPRSA-N 437.153 5.183 30 20 IKED CC(C)(C)OCc1cccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 726229639 ILXGAWRXYJOYIO-VWLOTQADSA-N 427.548 5.979 30 20 IKED N#CCOc1ccc(CNC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)cc1 727679832 RKICQVDAOGUTAF-UHFFFAOYSA-N 439.487 5.577 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3cccc(OC4CCCC4)c3)n2)cc1 727955746 PNURDCSPVFGRMO-VTJDKEBTSA-N 444.556 6.030 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(F)c(Cl)nc3Cl)cc2F)c1 728825825 IZEPPUNIAULZGJ-UHFFFAOYSA-N 434.229 5.370 30 20 IKED Cc1c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 729375518 IUWMHPNVXCDKLC-UHFFFAOYSA-N 432.392 5.036 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 729405292 RIUJCZYJKCLRRN-UHFFFAOYSA-N 445.544 6.309 30 20 IKED N#C[C@@H](C(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1)c1ccc2ccccc2n1 730071087 FGDKLTLPEYORCT-HSZRJFAPSA-N 426.903 5.886 30 20 IKED N#C[C@H](C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1nc2cc(F)ccc2s1 730417708 PWAQFZLPUSBZCI-CQSZACIVSA-N 430.386 5.130 30 20 IKED Cc1cc(Br)ccc1SCC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 730418106 YZDWPCKBTRDCIW-ZDUSSCGKSA-N 435.343 5.475 30 20 IKED CCC(CC)(Cc1nc2ccccc2s1)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 730420392 DCSHVYYMEZTQSF-OAHLLOKOSA-N 437.565 6.270 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1c(F)c(F)c(F)c(F)c1F 731039912 CTMKEPIYBWLSKG-JTQLQIEISA-N 446.466 5.506 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(SC(F)F)cc1 731067085 VBZPJNXYHQQCBD-ZDUSSCGKSA-N 436.505 5.191 30 20 IKED Cc1ccc(CC(=O)Nc2cccc([C@@H](C)OC(=O)[C@H](C)Oc3ccccc3C#N)c2)cc1 731302236 YKPITCDILLJVKF-UXHICEINSA-N 442.515 5.120 30 20 IKED C[C@H](CC#N)Sc1ccccc1N/C=C1/C(=O)N(c2ccccn2)C(=O)c2ccccc21 731339417 VRWUEELUEUOYPX-PBEQFFAXSA-N 440.528 5.116 30 20 IKED C[C@@H](Sc1ccc(Br)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 734081774 RJMUZUOKLWNZKR-MLGOLLRUSA-N 444.379 5.325 30 20 IKED CN(Cc1ccccc1NCCCOc1ccc(C#N)cc1)C(=O)c1cc2ccccc2o1 736612093 VIRXXKYUXSJUOO-UHFFFAOYSA-N 439.515 5.458 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)OC(=O)CCc1c(C)nn(CCC#N)c1C 739306434 VFOHSEVMISOFHP-QGZVFWFLSA-N 440.544 5.222 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)/C=C/c2cccc(OC3CCCC3)c2)c1C 739668813 KKWUMNBILQBUOX-NTCAYCPXSA-N 426.520 5.334 30 20 IKED COc1cccc([C@H](C#N)NC(=O)c2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)c1OC 741219585 YHPGAQIWBSJCSD-NRFANRHFSA-N 445.519 5.183 30 20 IKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2cc(C)ccc2F)[n+]2cccc(C)c2)N=C1C 744115182 GFQVGNYLWAZYIU-UHFFFAOYSA-O 438.548 5.048 30 20 IKED CC(=NNc1ncnc2sc(-c3ccccc3)cc12)c1sc(-c2cccnc2)nc1C 747608013 TWUSPHOWDPAATC-UHFFFAOYSA-N 442.573 6.021 30 20 IKED CCOc1ccccc1Oc1ccccc1C(=O)OCc1nnc(-c2cccc(C#N)c2)o1 748914469 ZTSKCPVPHQLKMZ-UHFFFAOYSA-N 441.443 5.156 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cc1 756911037 PFWQGBNRTOVMPV-SANMLTNESA-N 426.516 5.245 30 20 IKED N#C[C@@H](C(=O)Cn1c(C2CCCCC2)nc2ccccc21)C(=O)Nc1ccccc1Cl 762025397 MWSDSSVSQOTXPC-KRWDZBQOSA-N 434.927 5.085 30 20 IKED COc1ccc(C[C@H](C)CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC 762941046 WROIHGDRVBCQFF-CYFREDJKSA-N 443.547 5.360 30 20 IKED O=C(CCc1cc(Br)cs1)OCC(F)(F)C(F)(F)C(F)(F)C(F)F 764750003 DUCTZBPRWQZLPC-UHFFFAOYSA-N 449.157 5.157 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@@H](c3ccc(Cl)cc3)C2)c1=S 764992069 VEFCXQKBEPSQEZ-LJQANCHMSA-N 425.989 5.153 30 20 IKED C[C@@H](CC(=O)Nc1ccccc1S[C@H](C)CC#N)C1CCN(C(=O)OC(C)(C)C)CC1 765463109 HKHSUFVHGKBXNG-ZWKOTPCHSA-N 445.629 5.693 30 20 IKED N#C[C@@H](C(=O)Cc1cccc(OCCCOc2ccccc2)c1)c1nc2ccccc2o1 766618143 SIMJBSYQVVUFDO-QFIPXVFZSA-N 426.472 5.095 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@H]3c3cc(F)c(F)c(F)c3)n2)cc1 766844199 PYFPSFLABXKBHR-HRCADAONSA-N 428.435 5.216 30 20 IKED Cc1cc(NC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)nn1CCC#N 768047055 MRARZYUIBXSQID-UHFFFAOYSA-N 427.480 5.416 30 20 IKED COc1cccc([C@@H](C#N)NC(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)c1OC 768151062 DKAHMYYYHKRORN-NFBKMPQASA-N 436.508 5.057 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C1(F)CCCC1 774272234 OFSWXVUOLOVIBD-UHFFFAOYSA-N 446.203 5.254 30 20 IKED CC(C)(C)OC(=O)N1CCCCC[C@H]1c1noc(CSCc2ccc(C#N)cc2)n1 779589964 JTINLZNFVLLNSV-SFHVURJKSA-N 428.558 5.227 30 20 IKED FC(F)(F)c1cc([C@H](NCc2cnc(Cl)s2)C(F)(F)F)cc(C(F)(F)F)c1 783013830 PNFMKLFHLXYIHF-JTQLQIEISA-N 442.734 6.227 30 20 IKED CC[C@@H](NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccccc1 787033424 HGLJKRFLIAJGOE-JWQCQUIFSA-N 437.499 5.135 30 20 IKED CC(C)c1cccc(C(C)C)c1NC(=S)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 787198576 MQCJCQASOKWCRS-UHFFFAOYSA-N 448.636 6.325 30 20 IKED N#C[C@@H](C(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1)c1cnc2ccccc2n1 792107756 HZCNSUMCXIMPMF-DMMSUNFISA-N 427.866 5.839 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)nc1 796651611 QSQFSIBZJJRVRM-OAHLLOKOSA-N 442.928 5.111 30 20 IKED CCCCCCCN(Cc1nnc2n1CCOC2)[C@@H](C)c1ccc(Br)cc1 797991243 STYIIQXSTRVSBV-KRWDZBQOSA-N 435.410 5.104 30 20 IKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)/C=C\c1ccccc1C#N 800401295 IZLHVAPPKIGDAD-QBFSEMIESA-N 432.545 5.269 30 20 IKED Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)[C@H](C#N)c2nccc3ccccc23)cs1 810716407 HWKZTNIXZOUKOF-HXUWFJFHSA-N 429.520 5.960 30 20 IKED C#CCNC(=S)/C(=C(/O)c1ccc(C(C)(C)C)cc1)[n+]1cc(O)cc(-c2ccccc2)c1 811725853 GWPXYQSYBSPWIY-UHFFFAOYSA-O 443.592 5.078 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)s1 813444598 ROECYKCSXWFZKR-CYBMUJFWSA-N 440.352 5.421 30 20 IKED C=CCn1c(-c2cccc(Cl)c2)nn(CN2CC(C)(C)[C@@H]2c2ccncc2)c1=S 814229709 RMZUXVODKSNDLG-IBGZPJMESA-N 425.989 5.356 30 20 IKED CC(C)[C@@H](NC(=O)c1cccs1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915101884 NVMALCFOBGIOTA-CRAIPNDOSA-N 443.981 5.156 30 20 IKED Cc1csc([C@@H](C#N)C(=O)[C@H](Oc2cccc(Br)c2)c2ccccc2)n1 916843670 AZUVWQOVWGGKLV-PKOBYXMFSA-N 427.323 5.211 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 916898956 KHANZHDKGGDYEA-GOSISDBHSA-N 435.823 5.002 30 20 IKED N#C[C@H](C(=O)CNC(=O)Nc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995959 IYCWPYJDSIGCJZ-OAHLLOKOSA-N 445.331 5.115 30 20 IKED CC(=NOCc1cccc(C(=O)Nc2ccccc2)c1)c1ccc(NC(=O)C2CC2)cc1 917397708 LMJNIPGDJJKPQX-UHFFFAOYSA-N 427.504 5.228 30 20 IKED Cn1c2ccccc2c2cc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)sc21 918626206 HPQJQWLFPBPUME-UHFFFAOYSA-N 427.451 5.469 30 20 IKED Cn1c2ccccc2c2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)sc21 920140566 IEOIRQHZIRPPME-GOSISDBHSA-N 438.537 5.878 30 20 IKED COc1ccc2c(c1)CCC[C@@H]2CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920140820 BSGOEBJZZRFMHQ-KNQAVFIVSA-N 427.529 5.377 30 20 IKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@@H](C)c2ccc(C)s2)c1 920172675 KGJQTXJWGCEVDW-OXJNMPFZSA-N 441.622 5.035 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1csc(-c2cccc(Cl)c2)n1 926102963 GWSUUSIFHYQBCZ-AWEZNQCLSA-N 446.981 5.285 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3cc4ccccc4c(O)n3)cc2Cl)c1 1546320243 ORWLEPQPQXVIBT-UHFFFAOYSA-N 443.890 5.226 30 20 IKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)CCCC(F)(F)F)cc3)CCC2)c1 1786621691 UFLJTAGRNPNAFH-UHFFFAOYSA-N 447.432 5.178 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C)cn3)cc2)CCC1 1786867363 ZAIHBHMDISHUOD-DEOSSOPVSA-N 431.580 5.225 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CNc3ccc(F)cc3)CCC2)cc1 1789451291 FHVQFPVAPZQOSJ-HSZRJFAPSA-N 435.543 5.140 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccco4)CCC3)cc2)c1Cl 1790082001 YVQMYQGEMFXQTH-VAWYXSNFSA-N 445.906 5.266 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3nn(CC)c4ccccc34)CCC2)cc1 1791247661 DWLVHYFGQWDFDT-GOSISDBHSA-N 430.552 5.016 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc4sccc4[nH]3)CCC2)cc1)C(F)(F)F 1791303155 OBAKMNOCHLSJSV-UHFFFAOYSA-N 433.455 5.096 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C2(C)CCCCC2)[C@H]1c1cccnc1 1810501911 FBVAIBCHZRCLAE-VXKWHMMOSA-N 425.617 5.050 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccoc3s2)n[nH]1 1817825373 GRUVKCQTBQJPRN-FUHWJXTLSA-N 438.553 5.292 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2C2CC2)n[nH]1 1823130194 IZBZLVWFNFNVSV-QHCPKHFHSA-N 432.568 5.361 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3CC[C@H](C)CC3)[nH]n2)c1 1823215958 LHDGYXGVKCFBGR-ZQAYVECASA-N 447.583 5.169 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCCCC2(F)F)CC1 1824139997 UXOCRERCSPTLOC-YADHBBJMSA-N 436.587 5.200 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc4ccoc34)sc2C1 1824257496 IMBXWHBUYRNPPM-MRXNPFEDSA-N 437.565 5.108 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)c2ccc(O)cc2)CC1 1830338438 SVIZALQSKNYYPF-RDPSFJRHSA-N 440.628 5.108 30 20 IKED CCOc1ccc(OCc2nnc(SCCCC#N)n2-c2ccc(Cl)cc2)cc1 9023652 COIFPWPLEGGHTP-UHFFFAOYSA-N 428.945 5.294 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2cccc(O)c2)c1 10174445 DDFCUAIREROVGP-UHFFFAOYSA-O 446.379 5.600 30 20 IKED Cc1cccc(C)c1N/C(S)=C(\C(=O)c1cc(C)n(C)c1C)[n+]1ccc(C(C)(C)C)cc1 11153431 ORUOHCANWKSFNH-UHFFFAOYSA-O 448.656 5.895 30 20 IKED CCn1c(SC[C@@H](C#N)CCC#N)nnc1-c1cc(-c2ccccc2)nc2ccccc12 15244832 KHLNQFVOCHEQCX-GOSISDBHSA-N 438.560 5.716 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(CC)cc2)cc1 22730998 HQYORGQKBAFYAG-UHFFFAOYSA-O 439.551 5.818 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)nc2ccccc2c1=O 23349147 ZZNAQQUCFUHTGY-QZTJIDSGSA-N 443.572 5.094 30 20 IKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2cccc(C)c2)c1 28780871 WMFVYVDCXKTWDA-UHFFFAOYSA-O 431.625 6.248 30 20 IKED Cc1nc(SCC(=O)N2CCc3sccc3[C@H]2c2cccs2)c(C#N)c(C)c1C 29894811 ZLJHPUCCKJUDLB-NRFANRHFSA-N 439.631 5.268 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(Br)cc2)nnc1-c1ccoc1C 35767176 KXELMPGHYSQDGW-ZDUSSCGKSA-N 432.343 5.159 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C 57647253 JDFUJKXZVLKDCO-UHFFFAOYSA-N 426.520 5.563 30 20 IKED CC(=O)c1cccc(OCCCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 58688567 PYNLTAVEWOVSIC-UHFFFAOYSA-N 444.506 5.288 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 63404021 NWIBFWJTDVDNAX-AREMUKBSSA-N 443.522 5.388 30 20 IKED Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)c2cc(F)c(F)c(F)c2F)n1 302967903 RNEFGCZIULRION-UHFFFAOYSA-N 431.311 5.317 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](CC(C)C)c1cccc(C(F)(F)F)c1 303135363 LBGKAGVDXHYMKV-OAQYLSRUSA-N 434.506 5.269 30 20 IKED Cc1ccc([C@@H]2CSCCN2CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 303654734 LJRSHJQANJMCKE-RXVVDRJESA-N 425.623 5.118 30 20 IKED C[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nc2ccccc2n1C 303746829 GJANNMPFXMSNNA-OAHLLOKOSA-N 430.895 5.382 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(NC(=O)CC(C)C)c(F)c1 304032649 MZLKVLWGZQQOCA-UHFFFAOYSA-N 445.494 6.035 30 20 IKED COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 409497096 CRNLLHUBNPHWLF-IFMALSPDSA-N 444.487 5.119 30 20 IKED C=CCCc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 410346304 VJKRDEZVDNRSDX-UHFFFAOYSA-N 441.560 5.179 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(O)nc2c(Br)cccc12 426264445 CIRNOUVUMQHKER-GFCCVEGCSA-N 442.338 5.349 30 20 IKED CC(C)(C)n1ncc(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c1C(F)(F)F 428000802 MFPKUHLAUOVVDU-UHFFFAOYSA-N 428.414 5.573 30 20 IKED Cc1cc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)n(C2CCN(C)CC2)n1 430440395 MEELPWLSUHLJHB-UHFFFAOYSA-N 449.942 5.028 30 20 IKED COCCNc1ccccc1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 431545347 NFKUXEBWDZPNOJ-UHFFFAOYSA-N 430.508 5.039 30 20 IKED COc1ccc(C(=O)CCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1F 434199360 RVUHVUSQWKSRFJ-UHFFFAOYSA-N 446.478 5.081 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)Nc1cccc(CSC2CCCCC2)c1 435061278 YJDVIGJUQNZCJS-UHFFFAOYSA-N 438.597 5.258 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c12 436326654 BLUNNSGSFZFZNS-GMAHTHKFSA-N 441.579 5.284 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(Cc1ccccc1)C1CCCCC1 437278772 UKBFSRQXLHDTRR-LJQANCHMSA-N 435.593 5.381 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1F 437467752 BAZXDAABSIUCKP-UHFFFAOYSA-N 445.328 5.669 30 20 IKED C=C(C)COc1cccc(NC(=O)NC2(c3noc([C@H]4CCCO4)n3)CCCCCC2)c1 437760529 PYTIQIUPDXRMOF-HXUWFJFHSA-N 440.544 5.247 30 20 IKED CCOc1cccc2[nH]cc(CC(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)c12 437847200 BBUXAFFDABDYET-DEOSSOPVSA-N 439.515 5.069 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O 439501008 RRDLZHRKHNZDER-HLCYTCANSA-N 447.579 5.239 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CCO)[C@H]1CCc2ccccc21 444027840 UPXUXJMBHNTURP-VWLOTQADSA-N 427.504 5.173 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)Nc3ccc4c(c3)CCC4)cc2Cl)cc1 446436836 XSXPFMSQGPREKQ-UHFFFAOYSA-N 431.879 5.070 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)Cc1csc(-c2ccoc2)n1 460157412 ZODDTLWOUTWGHC-UHFFFAOYSA-N 433.920 5.704 30 20 IKED C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC2(CCOCC2)CC1 460786317 XTACQAOFNBHRFY-UHFFFAOYSA-N 433.021 5.197 30 20 IKED Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 464914806 VFNUCHMRVOYDBA-UHFFFAOYSA-N 439.515 5.456 30 20 IKED N#CCCCOc1cccnc1NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 466607242 DERJOOUVFCSIMU-HNNXBMFYSA-N 446.351 5.208 30 20 IKED Cc1ccc(Cl)c(N(Cc2cccnc2)C(=O)CCCCOc2cccc(C#N)c2)c1 466630098 FAVPOZPBOIQZOC-UHFFFAOYSA-N 433.939 5.698 30 20 IKED COc1ccc(Nc2nc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cs2)cc1 468596484 NBMHDLSMTNZGLU-UHFFFAOYSA-N 447.545 5.067 30 20 IKED N#CCCCn1cc(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)c2ccccc21 469017460 QFDUCUJHQZMMSZ-UHFFFAOYSA-N 448.526 5.400 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(Oc4ccccc4)cc3)ccc21 469972763 MKPGFWIFVFCIBD-UHFFFAOYSA-N 425.488 5.314 30 20 IKED C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 473764583 XABMHVYVYLIWKO-UHFFFAOYSA-N 448.654 5.106 30 20 IKED N#CC[C@@H](CC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1)c1ccccc1 475757578 MEGWZIFVLZUGNH-NRFANRHFSA-N 438.531 5.303 30 20 IKED CCCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@H](c1cccnc1)c1ccc(F)cc1F 475761639 JPRNQYBWLZWOAP-XMMPIXPASA-N 433.502 5.803 30 20 IKED C[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1c(F)cncc1F 476126982 BCVJGSFJBRMLPE-MRVPVSSYSA-N 443.294 5.202 30 20 IKED Cc1ccc2c(NCc3ccc(Cn4ccnc4)cc3)c(C#N)cnc2c1Br 479393205 DFQYAFUQHILLMB-UHFFFAOYSA-N 432.325 5.034 30 20 IKED CCCN(C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)[C@H](C)c1cc2ccccc2o1 481002430 CACFYQFHYBJGBI-IAGOWNOFSA-N 439.537 5.124 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccn(Cc2ccc(C)cc2)c1=O 481003782 LLBODYVTDANLON-UHFFFAOYSA-N 427.957 5.140 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1cccc(Cl)c1C 489664819 ZHFXYUHHMYNHON-INIZCTEOSA-N 442.972 5.124 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)(C)C 492806035 HQEFNRWHYXPIQP-FQEVSTJZSA-N 438.490 5.666 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(Oc2nccs2)cc1 494468101 IFYUJCAUZJJTFG-HNNXBMFYSA-N 425.535 5.347 30 20 IKED COc1cccc(C[C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 497775849 LSEHJICELCBKSD-QGZVFWFLSA-N 431.492 5.120 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCOC[C@H]3c3nc4ccccc4s3)c2)cc1 500653041 OWIGAMDJJBSHRF-QFIPXVFZSA-N 441.512 5.174 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 501697929 AQYGYASKPIXJLE-QHCPKHFHSA-N 440.952 5.347 30 20 IKED CC(C)c1ccc([C@@H](NC(=O)Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)C(C)C)cc1 502867575 XUEIYTOPWGZHCX-DEOSSOPVSA-N 435.955 5.163 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2nc3ccccc3s2)cc1Cl 503930324 YHSHDJNBUGIHAC-LJQANCHMSA-N 446.963 5.969 30 20 IKED N#C[C@H](NC(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(OCc2ccccc2)cc1 505362333 NSHIDLFCVKCPHO-NRFANRHFSA-N 428.385 5.418 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cccc(-c3cccs3)c2)CC1 505904650 UKDAVHGVSHVWJO-UHFFFAOYSA-N 444.516 5.390 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(n3cc(Cl)cn3)CC2)cc1 506948730 HDYLPISAVDHISS-UHFFFAOYSA-N 449.942 5.051 30 20 IKED O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 509475049 FWNDEBNHCDIRKL-NSHDSACASA-N 433.299 5.203 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2[nH]c3ccccc3c2Br)cc1 509668495 UIJQTOGAGYOOAB-UHFFFAOYSA-N 432.277 5.847 30 20 IKED N#Cc1cc(NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)ccc1OCC(F)(F)F 510045538 ZHKDKJIAAANMJW-UHFFFAOYSA-N 447.800 5.592 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@H](C)c1cc2ccccc2o1 510888918 UIOBOAYIXBKKMZ-GOSISDBHSA-N 425.488 6.630 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1sc2c(c1C#N)CCCCC2 512145965 ZEDMGPTWXCOPDH-UHFFFAOYSA-N 425.554 5.636 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc4ccccc4s3)s2)cc1OC 513676390 DGWWOFSXACDZQF-AWEZNQCLSA-N 435.530 5.236 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)CCc2ccccc2)nnc1-c1ccc(Cl)cc1 514180008 NQRNZWQLPNFMOH-KRWDZBQOSA-N 441.000 5.014 30 20 IKED Cc1csc(Sc2ccc(C(=O)Nc3sc4c(c3C#N)CCC4)cc2[N+](=O)[O-])n1 514607542 HNLIZNMRSHYLIT-UHFFFAOYSA-N 442.547 5.185 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc(-n2cccc2)cc1 517461195 CKWQRKGRWMKFFV-UHFFFAOYSA-N 429.467 5.683 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(Oc2cccnc2)c(F)c1 517471940 MVXPYOHDARXPFL-MRXNPFEDSA-N 436.512 5.586 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 518668655 JXJWULKLMBNAGJ-KRWDZBQOSA-N 445.523 5.306 30 20 IKED CC[C@H](c1ccccc1)c1nnc(NC(=O)c2occc2COc2cccc(C#N)c2)s1 520730615 YYXLTSDPNWSRCG-HXUWFJFHSA-N 444.516 5.376 30 20 IKED COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 521074815 BPPNPYXKCRFZGD-UHFFFAOYSA-N 445.372 5.473 30 20 IKED CC(C)CC(=O)N[C@@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccccc1 521328170 JSEXXHWZSJZUKK-RUZDIDTESA-N 427.504 5.193 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)Nc1ccccc1SC[C@H](C)C#N 521747898 DAMJSSVHYASSTE-WBVHZDCISA-N 436.606 6.253 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2sc3c(c2C#N)CCCCCC3)c1 522570362 NOHZNOUCCZKCAY-UHFFFAOYSA-N 431.517 5.575 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 523594560 UOQINBVCUWTBJV-BHGTWAMESA-N 434.609 5.255 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)c2)cc1 524594596 QRXHTZVYVAVPTJ-NRFANRHFSA-N 449.919 5.446 30 20 IKED Cc1c(Cl)cccc1Nc1nnc(SCc2nnc(-c3ccc(C#N)cc3)o2)s1 525625546 CXXCQQBEYSHRIY-UHFFFAOYSA-N 440.941 5.458 30 20 IKED Cc1c(NCc2cccc(OCc3ccccc3C#N)c2)cccc1C(=O)N1CCCC1 536101741 BDCJAXNASMTJFM-UHFFFAOYSA-N 425.532 5.294 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1ccc(F)cc1F)C(C)(C)C 540425306 OBPSRWWYURVZHC-OYHNWAKOSA-N 431.552 5.532 30 20 IKED Cc1nn(C(C)(C)C)cc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 541398008 INWFMIXPOZIZOP-UHFFFAOYSA-N 447.486 5.137 30 20 IKED C[C@@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)c(C#N)c1 542551378 QDJTWUDLZSDWSE-QGZVFWFLSA-N 429.907 5.184 30 20 IKED Cc1c(NC(=O)c2ccc(C(F)(F)F)c(F)c2)nnn1Cc1ccc(C(F)(F)F)cc1 549501047 YWAGPBXEIPXOPR-UHFFFAOYSA-N 446.326 5.064 30 20 IKED Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1cccc(C(=O)Nc3cccc(C#N)c3)c1)CCC2 554246269 FQUPQBLZZJGOBX-OAQYLSRUSA-N 445.548 5.117 30 20 IKED Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N 559819445 VTZWWDPHIOKASX-MRXNPFEDSA-N 438.597 5.182 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1 561213998 MBDXRJWNAXAHMP-HSZRJFAPSA-N 443.515 5.488 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(Cc2cccc3ccccc23)CC1 561408795 TZNNQJSBUCUFCD-FQEVSTJZSA-N 444.604 5.584 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@H](c2cccc3ccccc23)C(F)(F)F)CC1 566864673 WCWHFEKZAPAHSU-OAQYLSRUSA-N 438.453 5.105 30 20 IKED COc1ccccc1-c1ccc([C@H](C)NC(=O)N(C)CCOCc2ccc(C#N)cc2)cc1 568554759 OQTAQLIUEBFOOD-FQEVSTJZSA-N 443.547 5.153 30 20 IKED N#C[C@@H](CCc1ccccc1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 573749892 DUKLBTPJTOUORR-IRLDBZIGSA-N 430.470 5.062 30 20 IKED COc1cc(Br)c(CNc2ccc(Oc3ccnc(C#N)c3)cc2)c(OC)c1 577250451 YJNBUZYAEFZIIY-UHFFFAOYSA-N 440.297 5.137 30 20 IKED N#Cc1ccc(N2CC[C@H](C(=O)N(c3ccc(F)c(Cl)c3)c3nccs3)C2)c(F)c1 578243892 VAVNGIFFIRAJED-AWEZNQCLSA-N 444.894 5.138 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)CC1 581441120 NZGLATPOFLFYID-UHFFFAOYSA-N 432.911 5.617 30 20 IKED COc1ccc(CN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)C(C)(C)C)cc1 582205022 UQZLDHJDNZASEF-GOSISDBHSA-N 425.598 5.186 30 20 IKED CC(C)[C@@H](c1ccc(Br)cc1)c1noc([C@@H](C#N)Cc2ccc(C#N)cc2)n1 582267215 IHWWFMIIXUKRDH-QUCCMNQESA-N 435.325 5.342 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1nc2cc(F)ccc2s1 592974219 PEYJHCBNKNTENS-AWEZNQCLSA-N 436.489 5.425 30 20 IKED Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)cc12 592974242 PTEAGHBEFLVPPY-QGZVFWFLSA-N 446.532 5.693 30 20 IKED CCCN(C(=O)c1ccc(C#N)c(C)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 603563606 YTUUOPVROSZJDN-UHFFFAOYSA-N 431.348 5.749 30 20 IKED C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604457099 RDKDWPFZKGAHGH-INIZCTEOSA-N 449.507 5.189 30 20 IKED CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 605190932 AKPBWMFCNWMRHX-MHZLTWQESA-N 443.591 5.121 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)cc1 608850636 JWXDVTHKXUHYFN-UHFFFAOYSA-N 435.487 5.052 30 20 IKED CCN(Cc1ccc(CN(C)C)cc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 608995368 LYUPLIKFMRJLAZ-UHFFFAOYSA-N 428.536 5.466 30 20 IKED CC[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ncc(-c2ccccc2)[nH]1 609071764 ZPXDPSBQONRCAP-OAQYLSRUSA-N 426.476 5.001 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(OCc2ccccn2)c1 609398011 BAXLIWIIWGZNNE-GOSISDBHSA-N 432.549 5.234 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CSc3nnc(-c4ccc(F)cc4)o3)cc2)c1 609427422 QYGKMTCQRNZDDW-UHFFFAOYSA-N 446.463 5.270 30 20 IKED N#Cc1ccc(N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c([N+](=O)[O-])c1 609443075 HAIJNBBQTRBTGJ-QFIPXVFZSA-N 447.539 5.160 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC[C@@H]3CCN(c4ccc(Cl)cc4)C3)cc2)cc1 609516316 OOZLAFDBVQLADK-FQEVSTJZSA-N 445.950 5.455 30 20 IKED C[C@@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccc(Br)cc1 609556350 ZMOFATSGLWCITB-APMMTJHUSA-N 442.357 5.071 30 20 IKED Cc1nnc(-c2cccc(C#N)c2)n1Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 610035102 FVWGCFIDENTJSE-UHFFFAOYSA-N 438.922 5.225 30 20 IKED CN1CCC[C@H](CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)[C@@H]1c1cccs1 610180953 YCWKJBTULVXHRF-PXDATVDWSA-N 445.588 5.419 30 20 IKED N#Cc1ccc(SCC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)c(F)c1 610219706 IFGIORKPQLKJQH-HXUWFJFHSA-N 429.520 5.219 30 20 IKED CC(=O)c1ccc(OCCCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 611872166 VANRXJGLBUPWDB-XMMPIXPASA-N 446.934 5.996 30 20 IKED O=C(Nc1ccc(Br)cc1F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618539921 YAFVZOSPQINKQB-YUMQZZPRSA-N 437.153 5.183 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618540529 RRBWAXWBUQMYPC-AOOOYVTPSA-N 438.290 5.222 30 20 IKED O=C(NCCCSc1ccc(F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618547835 FEDDHQDKQLSZAN-TXEJJXNPSA-N 432.405 5.080 30 20 IKED COCCCn1c(S[C@@H](C#N)c2ccc(Cl)cc2)nnc1-c1ccccc1Cl 619863500 UZZMNCGBDBQEKF-SFHVURJKSA-N 433.364 5.645 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2F)C(C)C)nnc1-c1ccc(F)cc1 639430756 QLYZOMNEKBSXNR-LJQANCHMSA-N 428.508 5.165 30 20 IKED C[C@@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(OC(F)F)c1 642897799 GJBGXMOSVBLTTO-XEZLXBQYSA-N 448.354 5.558 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc2c(C)nn(-c3ccccc3C)c2s1 672218717 MXMJARXQALCVOT-UHFFFAOYSA-N 435.549 5.008 30 20 IKED O=C(Nc1ccc(OC(F)F)c2ncccc12)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674562616 OJJROIRRBAOSJP-NXEZZACHSA-N 443.294 5.041 30 20 IKED O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 678537540 BTONWINAIKNVCQ-YUMQZZPRSA-N 430.299 5.095 30 20 IKED COc1cc(C(C)=NNc2ncnc3scc(-c4ccc(C)cc4)c23)cc(OC)c1OC 725826581 FBCGZCDWWWVADY-UHFFFAOYSA-N 448.548 5.529 30 20 IKED N#Cc1ccc(NC(=S)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1Cl 726471717 IJIKDDYIZYMCEB-UHFFFAOYSA-N 438.915 5.090 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1ccc(Cl)cn1 728061993 FYBMORFOLGFUBJ-AWEZNQCLSA-N 441.318 5.278 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@H](C)C(=O)Nc1ccc(F)cc1Cl 728063113 WGCBEXYTBWHFHB-MRXNPFEDSA-N 437.902 5.677 30 20 IKED CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)NCc1ccc(OCC#N)cc1 729052513 LMIFYRZCAWZQFJ-UHFFFAOYSA-N 437.540 5.577 30 20 IKED CC(C)Sc1ccccc1C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 731060137 RFSFLRJWLWMZMG-INIZCTEOSA-N 428.579 5.234 30 20 IKED Cc1ccc(-c2cc(C(=O)OCc3ccc(OCC#N)cc3)c3cnn(C(C)C)c3n2)s1 733429807 MDCAJJZBIPWHDL-UHFFFAOYSA-N 446.532 5.309 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccccc2)[C@@H](C)c2ccccc2)c1 733805661 SYZUXAYELGZKTL-SQJMNOBHSA-N 427.548 5.841 30 20 IKED Cc1ccc(COc2ccc(/C=C\C(=O)c3ccc(N4CCC(O)CC4)cc3)cc2)cc1 734235700 UCEVPHGTBXSHRB-NVNXTCNLSA-N 427.544 5.431 30 20 IKED C[C@@H](CC(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1cccc(C(F)(F)F)c1 738743169 IUPLSLXRVWCFSE-INIZCTEOSA-N 442.437 5.493 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 743147121 PIYYOLZTWZIYAU-ZIAGYGMSSA-N 441.944 5.667 30 20 IKED N#C[C@H](C(=O)CCc1ccc(Br)cc1F)C(=O)Nc1cccc2ccccc12 745312497 LXBGAGRKHOUAJJ-GOSISDBHSA-N 439.284 5.022 30 20 IKED N#C[C@@H](C(=O)CSCc1cc(-c2cccs2)on1)C(=O)Nc1cccc2ccccc12 747112143 RGUJDPUYRNGDQN-SFHVURJKSA-N 447.541 5.137 30 20 IKED O=C(/C=C/c1ccccc1OCc1ccccn1)c1ccc(S(=O)(=O)C2CCCC2)cc1 749006264 SRQDAJYUZKSPMZ-SAPNQHFASA-N 447.556 5.273 30 20 IKED CC(C)(C)OC(=O)N1CCC(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 750692078 VVYKRQIFHQFMFN-QHCPKHFHSA-N 448.567 5.111 30 20 IKED CCOC(=O)Nc1ccc(N[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1C#N 752798820 ISISYWPDAPCPAH-GFCCVEGCSA-N 445.401 5.369 30 20 IKED O=C1/C(=C/c2cnc(-c3ccncc3)s2)CC/C1=C\c1cnc(-c2ccncc2)s1 753134691 LQDYTBJLUVDQQD-JYFOCSDGSA-N 428.542 5.554 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCC(=O)c3cc(Cl)sc3Cl)n2)cc1 756230904 JUKVMUPIPHOPOF-AWEZNQCLSA-N 449.384 6.326 30 20 IKED C#CCN1C(=O)/C(=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)SC1=S 759035216 ITZWQBBKAHGMDR-LICLKQGHSA-N 447.368 5.080 30 20 IKED N#C[C@@H](C(=O)/C=C/c1ccc2ccc(Cl)cc2n1)C(=O)Nc1cccc2ccccc12 759214638 ZXIAMPXEXWTFFK-IWGBCORSSA-N 425.875 5.402 30 20 IKED C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)N1CCO[C@H](c2cccc(C#N)c2)C1 761760976 XKRAHLYBMGJWKT-SZNDQCEHSA-N 428.319 5.655 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\C(=O)c3cccc4c3[C@H]2CCC4)cs1 763291357 XAVDBNOPOZYECH-VFAFIFLJSA-N 434.948 6.181 30 20 IKED Cc1cc(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)ccc1NC(=O)OC(C)(C)C 764305958 GPOFJCICCQQFKF-UHFFFAOYSA-N 430.848 5.028 30 20 IKED CC(CCc1ccc(Cl)s1)=NNc1ccc(S(=O)(=O)Nc2nccs2)cc1 764695778 BMQKLEGODPJWAA-UHFFFAOYSA-N 441.003 5.079 30 20 IKED CC(=O)c1ccc(-c2ccc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)o2)cc1 764753144 FRNVVSOZYNWZHL-UHFFFAOYSA-N 444.274 5.477 30 20 IKED C=CCn1c(-c2cccs2)nn(CN(C)C[C@H]2CCCO[C@H]2c2ccccc2)c1=S 764946286 RFHXMCYQXYIVBO-CTNGQTDRSA-N 440.638 5.386 30 20 IKED C[C@@](O)(CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1Cl 765151706 ALJATLMVQZNCQZ-RUZDIDTESA-N 449.938 5.014 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1ccccc1C 768412024 QSKFEZOBXTWIMY-HXUWFJFHSA-N 445.592 5.175 30 20 IKED N#Cc1ccc(CN[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)nc1 780329195 IJZGUGRJTBZZLX-FQEVSTJZSA-N 444.844 5.095 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)Nc2ccccc2O[C@H](C)C#N)cc1 780670746 NUUWXKRUHPETFD-MOPGFXCFSA-N 429.520 5.878 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 780673693 ZCKBNSOYRFOESS-HXPMCKFVSA-N 437.849 5.922 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)Nc2ccccc2O[C@@H](C)C#N)nc1-c1ccccc1 780674862 RMPVTDYJMBKHKM-GHTZIAJQSA-N 444.535 6.125 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(C#N)cc2F)cs1 781108091 NAJVAQSYILTLTP-UITAMQMPSA-N 425.872 5.388 30 20 IKED Sc1nnc(CSc2ccccc2)n1N=Cc1ccc(Cl)c(Br)c1 782245744 OQUOHCPANUTQOH-UHFFFAOYSA-N 439.791 5.157 30 20 IKED CCc1cc(Br)ccc1NN=Cc1csc(N(C(C)=O)c2ccccc2)n1 783871492 HTHXJTHKPVZVDX-UHFFFAOYSA-N 443.370 5.599 30 20 IKED C=CCc1cc(CN(Cc2cccc(Br)c2)C2CCOCC2)c(O)c(OC)c1 786107601 VYSMTFGBVPRRNR-UHFFFAOYSA-N 446.385 5.073 30 20 IKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2ccc(OC(F)(F)F)cc2)cc1 794773731 MPOLAFNXVZLHKG-UHFFFAOYSA-N 436.459 5.050 30 20 IKED N#C[C@H](C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 802045807 QYKAOCGFPYPKFU-DOMZBBRYSA-N 446.347 6.221 30 20 IKED C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 802592807 NHWJVIJOFDEUBV-XMMPIXPASA-N 445.542 5.092 30 20 IKED Cc1ccccc1[C@H](O)C1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 804509182 LCZIMKLFOBVRRM-HHHXNRCGSA-N 440.543 5.032 30 20 IKED CC(C)(CCC#N)CNC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 805281289 WHHMWUYQHYZOQY-UHFFFAOYSA-N 442.585 5.141 30 20 IKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2sc3cc(F)ccc3c2C)nc1C 806385389 FPJUTGZJTGNDLO-UHFFFAOYSA-N 445.570 5.099 30 20 IKED COc1cc(/C=C/C(=O)c2sccc2Br)cc(OC)c1OCC(F)F 809155504 YSHMQCLQDWSONI-ONEGZZNKSA-N 433.270 5.068 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(Br)c2ccccc2c1 815907616 GAAGVEFILNJDKY-HXUWFJFHSA-N 449.348 5.688 30 20 IKED CC(=O)N[C@H](CC(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1ccccc1 915102924 LCWIWKATKAMGBA-RCAZAQBQSA-N 447.604 5.055 30 20 IKED N#C[C@@H](C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1nc2ccccc2o1 915104795 LPKBBVXTKDKQNK-RXVVDRJESA-N 443.890 5.219 30 20 IKED C[C@H](/N=C\c1cc2ccccc2nc1O)c1cccc(NC(=O)Cc2ccccc2F)c1 915982268 VCWFRTJVBGCSIY-WUBIRZFMSA-N 427.479 5.441 30 20 IKED N#Cc1cccc(COc2cccc(/C=C(/Cl)c3nc(O)c4cc(Cl)ccc4n3)c2)c1 915987498 FQZXHDQLOGQQKE-SRZZPIQSSA-N 448.309 6.176 30 20 IKED Cc1nc(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)sc1SCC#N 916088681 ZYVXDBRVSFNOJY-UHFFFAOYSA-N 447.541 5.401 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2F)C[C@@H](C)O1 916414786 NWEXVXHRUCNVCJ-HDICACEKSA-N 429.495 5.230 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc3cccc(F)c3c2COC)cc1 916916355 XLHMOJPOEAXCBK-QGZVFWFLSA-N 438.524 5.491 30 20 IKED COc1ccccc1CN(CC(=O)[C@H](C#N)c1nc2ccccc2s1)Cc1cccs1 917029743 OZJJWBCPIHVGNY-IBGZPJMESA-N 447.585 5.245 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 920872169 HLEFEDRLCBZGGN-RXFWQSSRSA-N 440.547 5.061 30 20 IKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)S)cc3)CCC2)cc1Cl 1791577238 IOCFBFFIEIGJIS-OAHLLOKOSA-N 447.000 5.193 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@]3(F)CCCCC3(F)F)CCC2)cc1 1791729065 QIEODVUWVCJKBL-HSZRJFAPSA-N 434.502 5.232 30 20 IKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(F)ccc2s1 1798086682 HIWCSCAIHGGVTB-ACDBMABISA-N 426.557 5.061 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccc(Cl)cc3)CCC1)C2 1798337633 FEXKNHDODLWROT-KAOXLYBCSA-N 441.015 5.168 30 20 IKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Br)cc(C(C)C)c1)C2 1801640571 LCMYJUAXJHSQIN-KQLYMOGASA-N 447.417 5.037 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4sccc4s2)C3)c1 1803680556 GPFWYIWTDVHOPF-FZDIXFNVSA-N 449.601 5.155 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](c2ccccc2)C(C)C)n[nH]1 1814933112 KWKPUUSIGRYISE-WIOPSUGQSA-N 434.584 5.035 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(-c4ccccc4)cc3)n[nH]2)C1 1823288438 XORGUJHKMRNVFT-XMMPIXPASA-N 440.547 5.349 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2c(C)c[nH]c2C)CC1 1823751267 OXGLZYJKOPEICM-XMMPIXPASA-N 441.660 5.176 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc3ccccc23)CC1 1828828880 UISMDBOHAWYMQH-NVQXNPDNSA-N 445.607 5.237 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C(F)(F)F)coc2C)CC1 1831370385 MCDJUQMVQSTQEF-BEFAXECRSA-N 440.506 5.052 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(F)cc2F)CC1 1831374583 QZMONZOFVLNWFB-BTYIYWSLSA-N 438.946 5.064 30 20 IKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1831859701 VUCUVRDPJQWPKV-IBGZPJMESA-N 442.909 5.168 30 20 IKED Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)CCC#N)CC2)c2ccccc12 1832997676 RMVKOUSLNHFYQF-SANMLTNESA-N 445.607 5.004 30 20 IKED COc1ccc2cc(CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)ccc2c1 9877099 LTICFOYUWLZAET-UHFFFAOYSA-N 438.552 5.942 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(C)cc2C)cc1 10168711 XWILRZNMSVGRBG-UHFFFAOYSA-O 434.629 5.550 30 20 IKED C=CCn1c(SCc2cc(-c3cccs3)on2)nc2sc3c(c2c1=O)CCC3 14758095 BFPPFFZJGFNTHE-UHFFFAOYSA-N 427.576 5.142 30 20 IKED N#CCSCC(=O)NC[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 32976940 SMBMSKDSHXIIHU-QFIPXVFZSA-N 425.557 5.340 30 20 IKED C=CCn1c(SCC(=O)N[C@H]2CCC[C@@H](C)C2)nnc1-c1ccc(Cl)cc1Cl 33182502 JCUZFHBEQXYITI-HIFRSBDPSA-N 439.412 5.225 30 20 IKED COc1cc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)ccc1SC 58643715 BVLMOLHQQWAEEI-UHFFFAOYSA-N 447.560 6.053 30 20 IKED C=C(C)COc1cc(CN[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)ccc1OC 60948710 DLWDNGOTGUPWIH-IBGZPJMESA-N 448.538 5.892 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3ccc(NC(=O)c4ccco4)cc3)c2)c1 60972754 JWJUHMVDIHDVMR-UHFFFAOYSA-N 437.499 5.272 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cn4nc(C)cc4C)cc3)n2)cc1 61068622 FVCLORCLXGABJM-JOCHJYFZSA-N 426.545 5.470 30 20 IKED Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 108824467 WRFKVXFZAVGHRK-UHFFFAOYSA-N 425.488 5.047 30 20 IKED COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc(OCCCC#N)c2)c(OC)c1 110431079 BLFOURCAJRAMAJ-RUZDIDTESA-N 443.503 5.157 30 20 IKED C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCC(=O)N(CCC#N)c1ccccc1 110942562 UDPSLJKJVBQZEP-INIZCTEOSA-N 432.351 5.240 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)nnc1-c1ccccc1F 218660433 NDTINSOWKKXXED-IAGOWNOFSA-N 436.556 5.119 30 20 IKED Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 303378036 VCWUANBSDAVSII-INIZCTEOSA-N 437.594 5.339 30 20 IKED CCOCCCn1c(S[C@H](C)c2ccc(C#N)cc2)nc2cc(Cl)ccc2c1=O 303734628 WLQOWZQLHUZANC-OAHLLOKOSA-N 427.957 5.201 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(-c2nc(O)cc(CC)n2)c1 303749636 BMQGUXFSMYSEKX-UHFFFAOYSA-N 443.425 5.248 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)cc1 409814923 IPQPTTXBJBFFJB-JOCHJYFZSA-N 438.886 5.154 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](Cc1ccc(Cl)cc1F)C(C)=O 436208811 KFZRJDUIYCGZNR-HXUWFJFHSA-N 429.948 5.140 30 20 IKED Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1NC(=O)Nc1ccccc1 436337751 BYCVDNOGAXOFSA-UKILVPOCSA-N 438.531 5.551 30 20 IKED N#CCC[C@H](NC(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccccc1 440209450 UWVLFYSDDICSNH-LADGPHEKSA-N 441.510 5.261 30 20 IKED Cc1c(CNC(=O)C(=O)Nc2ccccc2SCCC#N)sc2ccc(Cl)cc12 443332725 IHPAMFUAYRLDBK-UHFFFAOYSA-N 443.981 5.124 30 20 IKED N#Cc1ccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1C(F)(F)F 443879070 MXIUZACAUGDYQN-UHFFFAOYSA-N 426.423 5.134 30 20 IKED COc1cccc(C(=O)c2ccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cc2)c1 444467652 QOAYLDWUEUCZPS-IBGZPJMESA-N 445.425 5.161 30 20 IKED Cn1ccnc1[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 445241410 WQTKJFMVMSICHS-QGZVFWFLSA-N 435.915 5.149 30 20 IKED N#C[C@@H](NC(=O)c1ccc(OCc2ccccn2)cc1)c1ccc(OCc2ccccc2)cc1 460864010 MVTXTDISMQRFRN-HHHXNRCGSA-N 449.510 5.234 30 20 IKED C=CCN(C(=O)c1ncn(C(C)(C)C)n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 463097266 FYHCUOUHYYCJQR-UHFFFAOYSA-N 443.576 5.656 30 20 IKED O=C(Cc1cccc(OC(F)(F)F)c1)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 464732189 WUOTVOITTRIASA-UHFFFAOYSA-N 447.310 5.110 30 20 IKED Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2ccccc2Sc2ccccc2C#N)cc1 464893589 LTDUBLNTRILLJY-ATIYNZHBSA-N 442.584 5.916 30 20 IKED O=C(Nc1ccccc1CCC(F)(F)F)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 465484452 DVZUUHDYSOVUMK-UHFFFAOYSA-N 446.326 5.172 30 20 IKED CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 467002137 RORATSKRNNZMHB-UHFFFAOYSA-N 430.470 5.216 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)c1 468647925 MHJHPEYOPVZKFD-UPVQGACJSA-N 435.911 5.071 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1ccc(OC)cc1 468647935 MHLQWSQMLSWFMN-QGZVFWFLSA-N 447.564 5.660 30 20 IKED CO[C@@H](CCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C(F)(F)F 469164066 WLBGGUFDBVVRMD-WMZOPIPTSA-N 425.838 5.084 30 20 IKED Cc1nn(-c2ccc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)cc2)c(C)c1Br 474432138 LSCICPPGLKBRPZ-INIZCTEOSA-N 443.370 5.322 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1 475549019 CTGNJIFJMCAHGN-SQJMNOBHSA-N 437.632 5.209 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(CC)cccc2CC)nnc1-c1ccccc1C 481346055 SWIVPGQDWMUNSW-GOSISDBHSA-N 434.609 5.684 30 20 IKED N#Cc1ccc(SCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1 482101306 GGMSUSPGQBDPHR-UHFFFAOYSA-N 433.480 5.355 30 20 IKED CCOC(=O)c1csc([C@@H]2CCCN2Cc2cccc(OCc3ccccc3C#N)c2)n1 483424885 XMEDPULGKMNJCX-QHCPKHFHSA-N 447.560 5.108 30 20 IKED CSc1cccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1[N+](=O)[O-] 486993389 BVBLJRGLVUENSG-NSHDSACASA-N 431.445 5.208 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@@H](CCCC#N)c3ccccc3)c12 487475113 PMGVEXLNLZWZHN-NRFANRHFSA-N 429.568 5.537 30 20 IKED CC(=O)N(c1ccccc1)c1nc(CSc2nc(C(F)(F)F)ccc2C#N)cs1 488798343 KLBMMKPCZZTMKE-UHFFFAOYSA-N 434.468 5.405 30 20 IKED N#CCCn1cc(-c2csc(N3CCN(c4ccc(F)cc4)CC3)n2)c2ccccc21 488829474 RXCYIYMRLYADHD-UHFFFAOYSA-N 431.540 5.144 30 20 IKED C=C[C@@H]1CCCCN1C(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 488853798 MPGBQNLNJIPNRP-NVXWUHKLSA-N 439.606 5.253 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2csc3ccccc23)c1 491458091 QZXRPGYGOZNXDV-UHFFFAOYSA-N 443.553 5.756 30 20 IKED O=C(Nc1ccccc1C#Cc1ccccc1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 493912778 PQKGMFQWPOENLD-UHFFFAOYSA-N 438.453 5.171 30 20 IKED N#CCN(C(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2)c1ccccc1 498379746 WWUHZMZBZRFLCZ-UHFFFAOYSA-N 444.844 5.204 30 20 IKED C=CCN(C(=O)CCCc1ccc(Cl)c(Cl)c1)c1nc(C(=O)OCC)cs1 501950502 UYVWRSAEDAQJPR-UHFFFAOYSA-N 427.353 5.169 30 20 IKED COCCn1c(C)c(C)c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)ccc21 503561970 LUOHXWHKCXGIIU-GOSISDBHSA-N 436.462 5.139 30 20 IKED CCOC(=O)c1c([C@@H](C#N)C(=O)Nc2cc(Cl)ccc2Cl)nc2ccccc2c1C 505432724 KZCWMYLIHIVGTI-OAHLLOKOSA-N 442.302 5.273 30 20 IKED CC[C@@H](C(=O)N1CCC(NC2CCC(C#N)(c3ccccc3)CC2)CC1)c1ccccc1 507654719 WQKXTJSKWRGBHU-ZXZCYCBTSA-N 429.608 5.165 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 510271158 PCINHUZYGSTZNR-UHFFFAOYSA-N 428.517 5.378 30 20 IKED CCOc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC 510630740 PYYYAACAUBZRDJ-KRWDZBQOSA-N 431.492 5.641 30 20 IKED N#C[C@H](NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1c(Cl)cccc1Cl 511151028 RLHNNKSSXKWHAX-KRWDZBQOSA-N 432.694 5.829 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3ccncc3OCc3ccccc3)c2)c1 512560759 GTHQXRFNVRHAAD-UHFFFAOYSA-N 435.527 5.401 30 20 IKED CSc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 512683052 MCYHZYCZXMEGGI-UHFFFAOYSA-N 433.558 5.263 30 20 IKED Cc1nc(-c2ccccc2)sc1C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 513676331 CNXZTFFZABXMPJ-OAHLLOKOSA-N 446.557 5.198 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCc1nc(-c2cccs2)no1 514424128 DGBJHECSLXNYTG-UHFFFAOYSA-N 445.504 5.127 30 20 IKED CCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1OC 516270311 RLDYERFXCKPEJN-LJQANCHMSA-N 431.517 5.359 30 20 IKED Cn1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c(-c2ccccc2Cl)n1 517478047 FOIFSLQLKICPDA-UHFFFAOYSA-N 428.879 5.657 30 20 IKED C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)Nc1ccccc1SCCC#N 518159730 YHUKQKUXJNVQAV-ZDUSSCGKSA-N 436.364 5.157 30 20 IKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cccs1 518507062 RRTZDOWTPHWNFN-HXUWFJFHSA-N 433.533 5.254 30 20 IKED N#C[C@@H](C(=O)c1ccc(Br)c(F)c1)c1nc(-c2c(F)cccc2F)cs1 519348929 NBVJSSWPPVINQS-JTQLQIEISA-N 437.240 5.480 30 20 IKED CCCN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@@H](C)c1ccccc1OC 521823356 QUPQZHBBFQVZEB-KRWDZBQOSA-N 434.565 5.619 30 20 IKED CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c(C)c1 522312498 CEKSMRYFUPLBEX-LJQANCHMSA-N 441.531 5.226 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1OC 523749327 WTKICNUMBROSGD-DEOSSOPVSA-N 442.515 5.132 30 20 IKED CCN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nc2ccccc2s1 523878185 FLUJSVUOYGPTSM-UHFFFAOYSA-N 433.920 6.280 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCCCC[C@@H]3c3ccco3)s2)cc1 524074227 WTCBMNSOQWGNIM-QGZVFWFLSA-N 439.566 5.444 30 20 IKED CCN(C(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C)c1ccc(C#N)c(Cl)c1 534384975 XAJHJPKPWTXNRW-UHFFFAOYSA-N 429.911 5.136 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccn(CCc3ccncc3)n2)cc1Cl 534947940 IDLDSNFRRHDWJT-UHFFFAOYSA-N 443.894 5.090 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC3(c4ccc(F)cc4F)CCOCC3)cc2)c1 535534032 BPEFBPSVEQSLPA-UHFFFAOYSA-N 449.457 5.456 30 20 IKED Cc1ccc(Br)cc1NC(=O)CCNC1CCC(C#N)(c2ccccc2)CC1 540178964 KKCSHXVMBPFHBF-UHFFFAOYSA-N 440.385 5.080 30 20 IKED COc1ccc(NC(C)=O)cc1NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 541996355 IAJOPMJQYWOCHB-MRXNPFEDSA-N 428.492 5.075 30 20 IKED CCCCc1nc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)no1 542124856 VIBZRNDXQZUNDE-CQSZACIVSA-N 449.317 5.843 30 20 IKED C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 543561907 GJKZVAHPHWAIBC-CLOONOSVSA-N 426.520 5.342 30 20 IKED N#CCCn1cc(/C=C\c2nc(Cc3nc(-c4ccncc4)cs3)no2)c2ccccc21 546360863 CIFJJGJYHBBONI-SREVYHEPSA-N 438.516 5.218 30 20 IKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccc(C#N)c(Cl)c1)CC2 548606838 HXDMIWYBWBONRP-QFIPXVFZSA-N 438.936 5.078 30 20 IKED N#Cc1ccc(CNCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c(C(F)(F)F)c1 554970648 AKSOGZAUETWSKE-UHFFFAOYSA-N 427.401 5.258 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N(CC(=O)N3CCCCC3)c3ccccc3)c2)cc1 558060592 CRKMXBLHDASUKG-UHFFFAOYSA-N 439.515 5.010 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(n2cc(Cl)cn2)CC1 558982687 XGQSOMQTBCSGGF-UHFFFAOYSA-N 435.334 5.005 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCCC[C@@H]3c3ccc(F)cc3F)cc2)ccn1 589363420 NMHRZBZVMLNDKQ-HSZRJFAPSA-N 434.446 5.783 30 20 IKED C=C(C)COc1cccc(NC(=O)CCc2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)c1 589553129 VVSNOVRUTRSFAA-HNNXBMFYSA-N 437.565 5.048 30 20 IKED CCCc1c(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)nnn1-c1cccc(Cl)c1 598368965 OIOLDSBGNZSAKF-HNNXBMFYSA-N 439.903 5.112 30 20 IKED O=C(Nc1cc(Br)ccc1F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 601188012 FQESSFKIJMXICW-YUMQZZPRSA-N 437.153 5.183 30 20 IKED O=C(NCC1(c2cccc(F)c2)CC1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 606926309 QIKDREZFCQAOHS-STQMWFEESA-N 426.376 5.066 30 20 IKED Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)c1 609165655 NAXJUNXRYXMRLS-CQSZACIVSA-N 438.578 5.366 30 20 IKED C[C@@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 609387179 RKKDAMXAWDZJPG-STQMWFEESA-N 441.906 6.050 30 20 IKED COc1cccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccccc2SC[C@H](C)C#N)c1 609398622 DTMJEROLFRPQES-WIYYLYMNSA-N 439.581 5.160 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 609556091 ZPGGUIWYGKNXPX-KKXNLOMOSA-N 434.565 5.464 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCc2ccc(N3CCCCC3)nc2)c1 609730126 OACFQXQKNOLEOZ-UHFFFAOYSA-N 446.938 5.319 30 20 IKED COc1cc(C[S@@](=O)Cc2csc(C(C)C)n2)ccc1OCc1cccc(C#N)c1 609742937 BZOXUOWGVNDEES-SSEXGKCCSA-N 440.590 5.175 30 20 IKED CCc1nc([C@H]2CCCCN2C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)no1 609974959 IDGJICPPDVQTDW-LJQANCHMSA-N 436.899 5.317 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccc(Cl)s3)o2)c1 610167628 VZJDHGUOJDPKHE-AWEZNQCLSA-N 446.985 5.496 30 20 IKED COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1 611310975 MPCDASCVNLMDBP-SFHVURJKSA-N 440.927 5.055 30 20 IKED Cc1ccc(C#N)cc1NC(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 612566777 RDBPEKCBRGBRQY-MRXNPFEDSA-N 426.236 5.444 30 20 IKED N#C[C@@H](C(=O)c1occc1COc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 613319434 DMVTXDGPYYYTDF-IBGZPJMESA-N 434.904 6.126 30 20 IKED CC(C)(CNC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccccc1F 624236270 DCAPLNISDOERGT-RYUDHWBXSA-N 428.392 5.312 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)c1C(F)F 681358013 ZLCNLSRYQYQFPB-UHFFFAOYSA-N 435.702 5.784 30 20 IKED Cc1c(Br)ccc(NC(=O)N2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c1F 683959127 GNYWYCFUWQOODD-OCAPTIKFSA-N 437.153 5.101 30 20 IKED O=C(NC1CC(F)(c2cccc(Cl)c2)C1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 684630001 NWKDRKUPJGKMSJ-LGTQLRDQSA-N 446.794 5.440 30 20 IKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(F)cc2F)cc1 726570737 JNFMTWYPHOFQKC-UHFFFAOYSA-O 442.898 5.409 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)s3)SC2=S)cc1Cl 726626873 LYGQFJXVFXKKOA-WUXMJOGZSA-N 441.784 5.441 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=NNc1ccc(Br)cn1 727266567 ZEHANWOJUWFLTP-UHFFFAOYSA-N 439.144 5.150 30 20 IKED C=CCOc1ccc(/C=C(\C(=O)OCC)c2nc(O)c3c(C)c(C)sc3n2)cc1Cl 728695658 BTESIOVIRKAUKW-GDNBJRDFSA-N 444.940 5.336 30 20 IKED C[C@H](C#N)CSc1ccccc1NS(=O)(=O)/C=C\c1cccc(Br)c1 730997597 LDALBSGFAGSQFD-CFYYFVFUSA-N 437.384 5.113 30 20 IKED CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)c1C 731060368 HTHLSXAURCXKCV-MRXNPFEDSA-N 447.560 5.295 30 20 IKED Cc1csc(SCc2ccc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)cc2)n1 731196012 SZKISXRWOXXPFH-QGZVFWFLSA-N 448.400 6.045 30 20 IKED CCN(Cc1ccccc1)c1ccc(/C=C/C(=O)c2ccc(C(F)(F)F)nc2O)cc1 731563768 UQYDWKHPGXKKEP-GXDHUFHOSA-N 426.438 5.729 30 20 IKED Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)o2)cc1 732377591 RWIDJOKACMBHMK-GOSISDBHSA-N 439.471 5.821 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)OCc3ccc(OCc4ccccn4)cc3)cc2)nc1 732398241 BMUQMEXFMVXCLY-UHFFFAOYSA-N 437.455 5.077 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1 732954781 PLGVAFFEHSLLGT-ULJHMMPZSA-N 449.466 5.353 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1cc(C)ccc1OC(F)F 733080291 VBBMERZWWWFDDL-UHFFFAOYSA-N 437.372 5.303 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2csc(-c3ccc(Cl)cc3)n2)ccc1OC 733231016 XWWHVBHCIPDUCZ-KRWDZBQOSA-N 441.940 5.083 30 20 IKED CC[C@@H](C#N)Oc1cc(CN=c2nc(-c3cccs3)[nH]c3ccccc23)ccc1OC 733304501 ZLCLPUTUWJASPD-KRWDZBQOSA-N 430.533 5.082 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(Oc3ccccc3)cc2C)ccc1OC 733634568 RDRFMEQNNHUTOV-FQEVSTJZSA-N 445.519 5.799 30 20 IKED C=CC[C@H](NC(=O)NCCCN1c2ccccc2Sc2ccccc21)c1ccncc1 734661125 FXNMQYCEWZPTGX-FQEVSTJZSA-N 430.577 5.691 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(C(F)(F)F)cc2)n1 747198719 KOIJJBQPSQZJQB-FRQCXROJSA-N 449.498 5.071 30 20 IKED C=CCn1c(-c2ccccc2F)nn(CN(Cc2ccccc2)C[C@@H]2CCCO2)c1=S 747786916 UJOBWDVFMKOUEN-FQEVSTJZSA-N 438.572 5.045 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H](O)c1c(F)cccc1Cl 752636962 NTLSUUFQPKSNSB-IGCHPXFFSA-N 437.902 5.378 30 20 IKED Cc1ccc(-c2nc(C=Nn3cnc4sc(C)c(-c5ccccc5)c4c3=O)co2)cc1 755535129 XCUIMVAUUGIBNG-UHFFFAOYSA-N 426.501 5.279 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](OC3CCOCC3)c3ccccc3)n2)cc1 759213403 MTQNBPORNLTNQX-ZJSXRUAMSA-N 432.545 5.232 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(C(F)(F)F)ccc1F 761251438 BUORXIUYUCCTFU-GFCCVEGCSA-N 440.418 5.034 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2cc(N3CCCC3=O)ccc2F)cc1Cl 761386683 VUBXERHEGCZZJE-UHFFFAOYSA-N 449.869 5.522 30 20 IKED CCCc1cc[n+](/C(C(=S)Nc2c(C)cccc2C)=C(/O)c2ccc(C#N)cc2)cc1 762440360 XHJCEWRVEHHMRA-UHFFFAOYSA-O 428.581 5.738 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(CC[C@H](O)c4ccccc4)c3)cc2)nc1 762997222 VIPKVHQHHHQEBO-SANMLTNESA-N 449.510 5.664 30 20 IKED CC(C)c1ccccc1-n1c(SC[C@H](O)c2ccc(C#N)cc2)nnc1-c1cccnc1 763234234 ZPUGQSNOIQCEJM-QHCPKHFHSA-N 441.560 5.150 30 20 IKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2oc(C)nc2C)cc1 764430816 RUNCRHQVPVPGRH-UHFFFAOYSA-O 447.584 5.678 30 20 IKED O=C(O)C(=O)/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)c1ccc2ccccc2n1 764434010 IYQLJWDPUXPSGJ-JCMHNJIXSA-N 427.431 5.147 30 20 IKED CC1(C)CCCN(C(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)[C@H]1C#N 765149141 OWSRSDDYSZKNAN-NRFANRHFSA-N 449.352 5.214 30 20 IKED Cc1cc(COc2ccc(C(=O)OCCCCC(C)(C)C#N)cc2Br)no1 768643303 GYTHXHXRXTUGGN-UHFFFAOYSA-N 435.318 5.201 30 20 IKED CCOc1cc(/C=C\C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1O 770487748 XCSQDNCRAJMLFN-UVTDQMKNSA-N 428.488 5.088 30 20 IKED N#C[C@@H](COC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Cc1cccs1 772735586 UNPVSQPFIOUUGD-ZDUSSCGKSA-N 436.480 5.359 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 773275989 PUKHBAGKIMKFAJ-LKUPVBHCSA-N 427.545 5.340 30 20 IKED C=CCCC(=O)Nc1ccc(COC(=O)Cc2sc(C)nc2-c2cccs2)cc1 774582706 PSAKPSZFZLEGEF-UHFFFAOYSA-N 426.563 5.371 30 20 IKED C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc(N2CCOCC2)c(F)c1 782778256 PIEGVIJIXZMTSM-UXHICEINSA-N 429.539 5.613 30 20 IKED O=C(CCCn1cccn1)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 783558014 SPJIOACEWSQKEH-AWEZNQCLSA-N 447.301 5.121 30 20 IKED N#Cc1cc(Cl)c(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)c(Cl)c1 789881799 HOJSPFRRRSPGST-LBPRGKRZSA-N 429.134 5.181 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)ccc21 789934444 FGSWCWSOPKBPAA-UHFFFAOYSA-N 444.491 5.153 30 20 IKED N#C[C@@H](C(=O)CCOCC(F)(F)C(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 791775139 AEDCQXXZFRGZEB-VIFPVBQESA-N 446.319 5.096 30 20 IKED CC(C)(C(=O)OC[C@@H](C#N)Cc1cccs1)c1csc(-c2c(F)cccc2F)n1 797014083 ANWIPHROWQSPTQ-CYBMUJFWSA-N 432.517 5.353 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)CSc2nnc(-c3cccs3)n2C2CC2)s1 797568029 NTTQZZWDAKMJGD-ZDUSSCGKSA-N 443.623 5.064 30 20 IKED COc1ccc2c(c1)c(C(=O)OCCCC1(C#N)CCOCC1)c(C)n2Cc1ccccc1 800170248 AEHBCYHJVRKEPJ-UHFFFAOYSA-N 446.547 5.264 30 20 IKED O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)[C@H](F)c1ccc(C(F)(F)F)cc1 801689189 CSHZWMZMROAJGB-OAHLLOKOSA-N 431.311 5.559 30 20 IKED CN(CC(F)(F)Br)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 806211547 BUMOLBMDHWERFZ-OAHLLOKOSA-N 442.691 5.447 30 20 IKED CC(C)(CCC#N)CNC(=O)N[C@@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 807036613 KDGYRXJSNVVTTR-NRFANRHFSA-N 438.572 5.035 30 20 IKED C#C[C@@H](NC(=O)N1CCC(c2noc3cc(F)ccc23)CC1)c1ccc(Cl)cc1F 811917059 HCENYXUCIANNCF-LJQANCHMSA-N 429.854 5.023 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)OC(=O)c1cnc(C(F)(F)F)c(C#N)c1 815957391 DDEQJNGYYVBKPM-LLVKDONJSA-N 435.402 5.461 30 20 IKED COc1ccc(-c2nc(Cc3noc(C4(c5ccc(C#N)cc5)CCCC4)n3)co2)cc1 904326118 VCFXNHIBUMNVGF-UHFFFAOYSA-N 426.476 5.056 30 20 IKED COc1ccc(-c2nc(Cc3noc(-c4cccc(Nc5ccc(C#N)cc5)c4)n3)co2)cc1 904329964 YVPKMGPPBCPVAG-UHFFFAOYSA-N 449.470 5.606 30 20 IKED COc1ccccc1N=C1SCCN1C(=O)c1cccc(NC(=O)C2CCCCC2)c1 915133043 JNESPKQBHJEWDH-UHFFFAOYSA-N 437.565 5.091 30 20 IKED CCOc1ccc(/C=C\C(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1OC 916128347 XCKVWQFXGKXZDS-DHDCSXOGSA-N 431.488 5.008 30 20 IKED N#C[C@@H](C(=O)CC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl 916928388 ZDZGVCJGVUHMHA-FQEVSTJZSA-N 437.326 5.863 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCCc2ncc(-c3ccccc3)o2)cc1 916950225 SJSFCMRIMXXFJO-GCJKJVERSA-N 429.520 5.525 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 917181781 OPSMUGKZOIXOSH-UHFFFAOYSA-N 431.517 5.671 30 20 IKED C[C@@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)c1nc2ccccc2n1C(F)F 917615069 GZSWPGICJWMCCF-CQSZACIVSA-N 437.402 5.393 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccc(C(F)(F)F)cc2)NC1=O)Nc1cccc2ccccc12 917636820 USIIMZMRIRMBCF-SFHVURJKSA-N 443.450 5.107 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)C(=O)Nc1ccc(Cl)cc1 920108899 ZLFZEUZCBGFVQS-ZDUSSCGKSA-N 436.345 5.068 30 20 IKED C#CCNC(=O)c1ccccc1NC(=O)c1oc2ccccc2c1CSc1cccs1 921281821 WMIBVZLPGSBXSR-UHFFFAOYSA-N 446.553 5.402 30 20 IKED N#Cc1ccc(CSc2nc(O)c3c4c(sc3n2)CCCC4)c(Br)c1 1559307490 IRYZABFUXDSCPS-UHFFFAOYSA-N 432.368 5.202 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc4nc[nH]c4c3)cc2)CCC1 1789279887 XANYOMXPNQBMGK-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C4CC(F)(F)C4)CCC3)cc2)c1 1792122177 KPTZDAMOWSOVDN-INIZCTEOSA-N 437.490 5.107 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCSCc1ccc(C)cc1)C2 1798594638 KWBYKKNPZHSTRQ-NUNAXRQHSA-N 442.669 5.249 30 20 IKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3scc(-c4ccccc4)c3[nH]1)C2 1801637233 VLZODYDNBRETBY-RSPOEFSDSA-N 447.604 5.360 30 20 IKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2)[C@H](C)CC)[C@@H]1c1cccnc1 1806454996 ZWQAWBVRXDHVOR-DNGOPSCFSA-N 447.623 5.130 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2c(C)cc(C)cc2C)[C@@H]1c1cccnc1 1813787331 OXSNWKYANFNSNI-MZKUHISZSA-N 445.607 5.095 30 20 IKED Cc1cscc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1818242525 VAJNOLBQQWGUSE-VFNWGFHPSA-N 447.564 5.026 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccs2)CC1 1828821898 UKOMNHOJYZXNNO-DHIUTWEWSA-N 428.642 5.069 30 20 IKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCCC(C)(C)C)CC1 1831574691 UXRXAXGMGFOBOW-GGAORHGYSA-N 434.665 5.194 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(CC)cc2)[n+]2ccccc2CC)cc1 10174004 WXWCFZXONRZIAK-UHFFFAOYSA-O 433.597 5.549 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2ccccc2)c(C)s1 11114371 LKWXKLKEDQHRIO-UHFFFAOYSA-O 449.593 6.018 30 20 IKED N#CCC[C@H](C#N)CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1 15233939 LQKZOPPISBXAJQ-CYBMUJFWSA-N 429.336 5.172 30 20 IKED N#CCC[C@@H](C#N)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 15239575 XYKIPXPJOOYMCH-AWEZNQCLSA-N 428.348 5.777 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(N3CCCCCC3)cc2)nnc1-c1ccccc1 18952402 AEUALOBKPOLHMQ-UHFFFAOYSA-N 447.608 5.242 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)NCCc2ccccc2)cc1 22735902 KOYBDYXGVSWCBD-UHFFFAOYSA-O 431.625 5.431 30 20 IKED C=CCn1c(SC[C@@H]2CN=C(c3ccc(OC)cc3)S2)nnc1-c1cccc(C)c1 23591023 XXGAHCBLAGETQA-FQEVSTJZSA-N 436.606 5.102 30 20 IKED C[C@@H](Sc1nc(-c2ccco2)nc2ccccc12)C(=O)N(CCC#N)c1ccc(F)cc1 28662999 WYJOJEHJBSKIIT-MRXNPFEDSA-N 446.507 5.456 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 60166552 ZPKYYAQPOAUMDI-OAQYLSRUSA-N 440.528 5.690 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(C(=O)c2ccccc2)cc1 78665556 ZGTVAEUYYMOLGU-GOSISDBHSA-N 430.529 5.329 30 20 IKED COc1cc([C@H](C#N)NC(=O)c2cc3sc4ccccc4c3s2)cc(OC)c1OC 110026946 IVQXPYGYXKICCS-AWEZNQCLSA-N 438.530 5.136 30 20 IKED N#Cc1csc(CN[C@@H](c2ccc(F)cc2)c2ccccc2I)c1 237916378 UBUURAPIPBTJCC-IBGZPJMESA-N 448.304 5.243 30 20 IKED C=CCOc1c(Br)cc(CN[C@H](c2ccccc2)c2ccco2)cc1OCC 302719172 NFYXEHXJLLVWJI-JOCHJYFZSA-N 442.353 5.885 30 20 IKED C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 303022783 PEKKGQDHZYRXFX-NHCUHLMSSA-N 435.637 5.338 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nnc(Cc2cccc(F)c2)s1 410019959 JZAOAUHMQGJJEC-UHFFFAOYSA-N 446.532 5.543 30 20 IKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 428206422 SSMMJPLQYROKJD-UHFFFAOYSA-N 449.514 5.277 30 20 IKED Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3ccc(Oc4ccc(C(C)(C)C)cc4)nc3)nc12 429588213 FYCGZFQZXDPGNQ-LJQANCHMSA-N 425.492 5.241 30 20 IKED C[C@@H](Nc1ccc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cc1[N+](=O)[O-])c1ccccn1 430640478 KMZDQTCRQVYBFO-GDBMZVCRSA-N 449.536 5.407 30 20 IKED CN(Cc1ccccc1NCc1cn(CCC#N)nc1-c1ccncc1)C1CCCCC1 435128509 DRRPSCRJONBIRL-UHFFFAOYSA-N 428.584 5.235 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 436340188 RICRMWVGLVVKBD-VWNXMTODSA-N 440.503 5.119 30 20 IKED C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 437813320 BVRZRMYDAOJRST-YGOYIFOWSA-N 430.552 5.005 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 438076163 PSWALGXHRCOGEJ-WWMYMODYSA-N 428.627 5.204 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1ccc(C(C)(C)C)s1 439036791 GWWDAPKUCHFSPD-UHFFFAOYSA-N 427.551 5.214 30 20 IKED C=CCC[C@H](NC(=O)N(C)Cc1nccn1CC(F)(F)F)c1ccc(C(F)(F)F)cc1 442294688 PXRCOWXKNPLSGG-INIZCTEOSA-N 448.411 5.313 30 20 IKED CC(C)(C)Cc1nc(-c2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)c2)no1 442848362 ALORMKIBHBAMGP-GOSISDBHSA-N 443.532 5.334 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)c2ccccc21 444181723 KIUWJMNDERONCX-IBGZPJMESA-N 426.520 5.492 30 20 IKED O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444441293 ULWBZFZHAMYWQK-OAHLLOKOSA-N 438.299 5.105 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)c2)cc1 445170272 BUPIEUAKBFTNMA-UHFFFAOYSA-N 431.451 5.598 30 20 IKED CC(C)c1ccc([C@H](NC(=O)Nc2cnn(-c3ncccc3C#N)c2)c2cccs2)cc1 462109360 PVRHYKAOZBHLPW-QFIPXVFZSA-N 442.548 5.235 30 20 IKED Cc1ncsc1-c1nc2ccccc2n1CC(=O)Nc1ccccc1SC[C@@H](C)C#N 463752632 UFVREMXWWOCOKP-HNNXBMFYSA-N 447.589 5.359 30 20 IKED C[C@H](C#N)CSc1ccccc1N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O 463927914 USDNGZKXKYPUEM-BEFAXECRSA-N 431.508 5.147 30 20 IKED CSc1cccc([C@H](NC(=O)CSc2ccc(C#N)cc2)c2cc(F)ccc2F)c1 464133578 MYNZQKDZLYWHPR-QHCPKHFHSA-N 440.540 5.556 30 20 IKED CSC1(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCOCC1 466115719 BHRZORWEERDXTO-LJQANCHMSA-N 429.973 5.029 30 20 IKED Cc1ccc([C@@H](C)N(C(=O)CCc2c(C)nc(O)c(C#N)c2C)c2cc(C)ccc2F)cc1 474771833 DGOJMJSKZPYQMH-HXUWFJFHSA-N 445.538 5.759 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(C)c(OCC(=O)N2CCCCC2)c(C)c1 476122854 MICFMWCHHVQHHR-UHFFFAOYSA-N 448.607 5.799 30 20 IKED N#Cc1ccc(CNC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C4)C3)cc1 477100131 QDEBYPSBFCPRNV-CZZMKVDGSA-N 444.419 5.297 30 20 IKED C[C@@H]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)[C@@H](c2ccco2)C1 480315396 PCGWIHCANQRZTE-NTKDMRAZSA-N 429.520 5.930 30 20 IKED CC(C)Oc1cncc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 480490123 GCWVZMOTJUFFKT-UHFFFAOYSA-N 446.454 5.059 30 20 IKED C=CCN(CC1CCCCC1)C(=O)c1oc2ccccc2c1CSc1nnc(C)s1 482724655 RGQVTDFULLSXSK-UHFFFAOYSA-N 441.622 6.094 30 20 IKED Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)[C@H](C#N)c1cnc2ccccc2n1 483207479 XIRIKMUIWCEMKW-OAQYLSRUSA-N 429.483 5.281 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(-c4ccccc4)nc3C)n2)cc1 484094405 GHNPTFJMCQIDBK-IBGZPJMESA-N 426.501 5.074 30 20 IKED COc1ccc(CCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1Cl 490630833 XBRUPNPJFVEXHR-UHFFFAOYSA-N 434.923 5.565 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)cc1 491648826 RHMADAUWUCCDKH-QFIPXVFZSA-N 440.547 5.037 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(CCCO)Cc2ccccc2)cc1Cl 494198936 RCGBPVZOUSUUSJ-QHCPKHFHSA-N 433.939 5.412 30 20 IKED CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 494530350 IPSDUOZANDFIAN-FQEVSTJZSA-N 438.314 5.860 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 502470167 SFNSGPYBLZIKAB-UHFFFAOYSA-N 444.466 5.603 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(Sc3nc(C)cs3)cc2)cc1 502606088 PKQAGLJDVWXPBV-UHFFFAOYSA-N 439.566 5.554 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)C(=O)N[C@@H](CC3CCCC3)c3ccccc3)n2)c1 503666143 HFZQNPIQWZBXCO-NRFANRHFSA-N 444.560 5.058 30 20 IKED COc1cc(OC)c(NC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1Cl 505467631 OAPSELWGONDXQQ-CQSZACIVSA-N 427.913 5.035 30 20 IKED N#C[C@@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccc(Cl)cc1 505824667 GODVUMSFCFKEPK-QGZVFWFLSA-N 430.316 5.302 30 20 IKED CC(C)(C)CC(=O)Nc1ccc(CC(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1 505923620 WOJYQMWEAOLOHG-LJQANCHMSA-N 431.458 5.004 30 20 IKED N#C[C@@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1cccc(C(F)(F)F)c1 505975500 FDBSZMGJZLGODN-QGZVFWFLSA-N 429.423 5.014 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 507804657 GUTDHAMBLFEYSJ-UHFFFAOYSA-N 430.430 5.120 30 20 IKED C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](n2ncc3ccccc32)C1 508911390 ATZQBRWPBRFGPU-PXNSSMCTSA-N 448.958 5.059 30 20 IKED COc1cc(C)c([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC 510872212 LIOSNFQIUYSUKD-SFHVURJKSA-N 445.519 5.867 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)nnc1-c1cccc(C)c1 514955420 XUIVAMPSTUGODL-SJORKVTESA-N 441.000 5.451 30 20 IKED CCCN(C(=O)c1cccc(CC#N)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 515284103 ZRBUPUMNQCVEQQ-UHFFFAOYSA-N 430.360 6.240 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cccc(OCc4cccnc4)c3)c2)c1 515449157 HGXOQGLUDSLUDQ-UHFFFAOYSA-N 448.482 5.037 30 20 IKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)NCCc1ccc(F)cc1 517460393 DURWABOUUZKQLX-CQSZACIVSA-N 439.478 5.010 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(C(F)(F)F)cn1 518407790 JQDZRRHWCKIKTA-ZDUSSCGKSA-N 425.501 5.367 30 20 IKED N#C[C@@H](C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1nc2ccccc2o1 518502330 REAKKEBBLKENKM-IBGZPJMESA-N 429.501 5.341 30 20 IKED C=CCN(C(=O)Nc1cccc(-c2cccs2)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 518752263 MBIAKZCEQQHTSI-KRWDZBQOSA-N 430.537 5.172 30 20 IKED Cc1cc(Br)cc(C)c1CNC(=O)Nc1ccccc1S[C@H](C)CC#N 518756109 YVVKNJGDGZGWIU-OAHLLOKOSA-N 432.387 5.782 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1csc(-c2ccccn2)n1 519416248 MMZJCYMRTLJVEW-HNNXBMFYSA-N 440.619 5.329 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2 520178791 ZRYGAAMNUYQKEU-UHFFFAOYSA-N 448.567 5.020 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3cc(Br)cs3)c2)cc1 520599987 VBTRDZNFVWSIJE-UHFFFAOYSA-N 428.311 5.496 30 20 IKED Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 521748027 IWNDKGHQDUCIGS-FUHWJXTLSA-N 443.016 5.548 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCCc4cccc(OC(F)F)c43)cc2)cc1 521954299 LBQCHBJXCHKDJW-UHFFFAOYSA-N 434.442 5.739 30 20 IKED C[C@H](NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 522753193 BOIYUOPNKHIPEK-BUKVSMQUSA-N 444.501 5.020 30 20 IKED COc1ccc(-n2nc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cc2C)cc1 538922382 SHHWSHYGDCZFRJ-HXUWFJFHSA-N 428.517 5.111 30 20 IKED CSc1cccc([C@@H](NC(=O)Nc2cc(C)n(CCC#N)n2)c2ccc(F)c(F)c2)c1 540815899 ZFRPVYPUGBEIDO-OAQYLSRUSA-N 441.507 5.016 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 542022900 CYJQMOPHIXMEHH-DNVCBOLYSA-N 449.498 5.705 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(C)(C)Cc1nc2ccccc2[nH]1 543089834 OKIIFSZOKXEUOM-UHFFFAOYSA-N 438.531 5.529 30 20 IKED Cc1sc([C@H](C)NCC(=O)Nc2sc(C)c(C)c2C#N)nc1-c1ccc(Cl)cc1 543503289 IBVNUAICCJZMPU-LBPRGKRZSA-N 445.013 5.611 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3c(-c4ccccc4)nc4ccccn34)o2)cc1 547409376 ZNOCIVCRULZCLM-UHFFFAOYSA-N 434.455 5.297 30 20 IKED C=C(C)Cn1c(Cc2cccc3ccccc23)nnc1N1CC[C@@]2(C1)OCc1ccccc12 549290476 BTWGYGSFTZPBRG-NDEPHWFRSA-N 436.559 5.234 30 20 IKED C[C@H](Nc1ccc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cc1)c1ccccc1 552895362 KKFFSFPTKJQYDF-GHTZIAJQSA-N 428.511 5.335 30 20 IKED C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1ccccc1 558906448 ICMXWUHRRQRHNS-GOSISDBHSA-N 435.959 5.250 30 20 IKED COc1cc(C#N)ccc1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C(C)C 559320371 NZKJUBBBKQSHDM-UHFFFAOYSA-N 430.291 5.904 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc(Cl)c1Br 564107624 HTSBOIBTWZUCIN-LLVKDONJSA-N 438.659 5.646 30 20 IKED N#CCCCn1cc(-c2nc(C3(NC(=O)c4ccccc4)CCCC3)no2)c2ccccc21 564280440 DMDOBVNIVBKNEV-UHFFFAOYSA-N 439.519 5.194 30 20 IKED CC(C)c1nc([C@H]2CCCCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)no1 568570838 HHPHILQEVAXLGD-OAQYLSRUSA-N 446.511 5.401 30 20 IKED C=CCN(C(=O)CCCCC(C)(C)C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 571835071 WROYWVBTFMCVNV-UHFFFAOYSA-N 434.627 5.339 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 582092868 LRPAVQPCKKEVNV-UHFFFAOYSA-N 436.384 5.389 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CC[C@@H](OCCCc4ccccc4)C3)cc2)ccn1 589365575 CKALADKDXISSRY-RUZDIDTESA-N 442.519 5.001 30 20 IKED C=CCOc1cccc(NC(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)c1 592905086 MNYIVGSPDRNUTL-LJQANCHMSA-N 425.287 5.303 30 20 IKED C=CCOc1ccccc1CNC(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1 600896119 VBJBDTFKQPXVQJ-UHFFFAOYSA-N 444.535 5.203 30 20 IKED N#C[C@@H](C(=O)c1ncoc1-c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 601618175 GBFSATTWHNYVIF-HNNXBMFYSA-N 440.311 6.262 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccccc1-c1nc2ccccc2s1 603587807 KGCXDAJUYVRERH-UHFFFAOYSA-N 429.549 5.262 30 20 IKED CCCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)[nH]c(C)c1C(=O)OC 603836546 COBSLILJXAFVAO-MRXNPFEDSA-N 441.940 5.329 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N[C@@H](CC(F)(F)F)c3ccccc3)s2)cc1 604083616 QFSJAGYAMBMNAD-SFHVURJKSA-N 430.455 5.421 30 20 IKED CCN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)[C@@H](C)c1ccc(F)cc1 604422290 RYMGIWYDYLWNSG-SFHVURJKSA-N 445.494 5.346 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 604457069 RHGSZCRQFZYISQ-UHFFFAOYSA-N 437.543 5.674 30 20 IKED Cc1cc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)sc1-c1ccc(F)cc1 608811250 JKDXGPNEMKTJMU-NRFANRHFSA-N 437.515 5.024 30 20 IKED N#CCn1c(C(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cc2ccccc21 609187643 RMFHVRMQCLWBQG-SFHVURJKSA-N 430.508 5.235 30 20 IKED COCCSc1ccc([C@H](C)N=c2c(C#N)c[nH]c3ccc(OC(F)F)cc23)cc1 609192847 LJABBCUITXWQIG-AWEZNQCLSA-N 429.492 5.041 30 20 IKED C[C@@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)Nc1ccccc1Oc1ccccc1 609387214 SSRHUPLMMZYMMN-OALUTQOASA-N 431.561 6.170 30 20 IKED COCCN(CCOc1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 609422280 JPPIZLOAZRZILT-UHFFFAOYSA-N 449.482 5.049 30 20 IKED Cc1nc(-c2ccc(CNC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cc2)cs1 609498038 LASMRRSGTTVSCY-UHFFFAOYSA-N 426.501 5.108 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NCc3ccc(COCc4ccccc4)cc3)cc2)nc1 609500757 UZUGEQOTNLPVCL-UHFFFAOYSA-N 449.510 5.392 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)NC[C@H]3CCCO[C@H]3c3ccccc3)c2)cc1 609643341 XJKQCISESUXIOQ-RSXGOPAZSA-N 426.516 5.035 30 20 IKED C[C@H](c1ccc(C#N)cc1)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 609823620 XLCSBMYZZYPMBP-QFQXNSOFSA-N 430.596 5.808 30 20 IKED Cc1ccc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc1NC(=O)NC(C)(C)C 610129923 JBNDVWREXDBWMS-KRWDZBQOSA-N 433.339 5.217 30 20 IKED Cc1cccc(NC2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)c1 610163205 NTOBINFYAIVVMS-UHFFFAOYSA-N 440.547 6.076 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 610223692 BYRGGUSFTVCEAN-VQTJNVASSA-N 438.314 6.103 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)s1 610313360 ZAWBIWZYBWRQGI-UHFFFAOYSA-N 449.532 6.164 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC(OCc3ccccc3F)CC2)c1 611262009 IJRIYHBFVXHAAX-UHFFFAOYSA-N 444.506 5.098 30 20 IKED COc1cc(Br)ccc1[C@H](C)NC(=O)c1c(Cl)cc(C#N)cc1Cl 615894725 QKNPRFLHCRLCOX-VIFPVBQESA-N 428.113 5.127 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)N[C@H](C)c3cccc(C#N)c3)C2)n1 618467906 NZMNINAIRPAOHM-YLJYHZDGSA-N 446.576 5.341 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccccc2Cl)cc1)c1nc(-c2ccncc2)cs1 673812320 VCBHYYAXFOQCQD-SFHVURJKSA-N 431.904 6.141 30 20 IKED C=CCOc1c(Br)cc(CN2CCCC[C@@H]2c2noc(C3CC3)n2)cc1OC 678202638 BYIZAXNBBCXUMW-QGZVFWFLSA-N 448.361 5.010 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 682777229 IOKYQKULVRXQQT-ZSHCYNCHSA-N 436.440 6.570 30 20 IKED N#C[C@@H](C(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1)c1cnc2ccccc2n1 682995434 VVBSWNDYNVAHSK-OAQYLSRUSA-N 433.446 5.112 30 20 IKED COc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(C(F)(F)F)c1 726696869 XPHOYXIDAJCTPW-OAQYLSRUSA-N 439.437 5.691 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)sc1-c1ccc(F)cc1 726733319 VXBAFGMWPXKSPL-HNNXBMFYSA-N 430.863 5.616 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)cc1 727589226 OFKGVUVINNZZQL-QFIPXVFZSA-N 435.449 6.172 30 20 IKED COc1cc(OC)c(C(=O)/C=C/c2ccc(OCc3occc3C(=O)O)cc2)cc1Cl 730952283 UYUBTWJUXJRBMN-VMPITWQZSA-N 442.851 5.124 30 20 IKED N#CCOc1ccc(CC(=O)Nc2ccc(Nc3ccc(F)cc3)c3ccncc23)cc1 732107660 XTWRQFJHEMEFRZ-UHFFFAOYSA-N 426.451 5.201 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 733031700 NAVCPQDHELTUTP-DEOSSOPVSA-N 433.458 6.306 30 20 IKED C#CCN(C(=S)Nc1ccc(C)cc1C)[C@@H]1CCOc2ccc(Br)cc21 733087108 OFMXLDYPCUMLMI-LJQANCHMSA-N 429.383 5.222 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(F)cc3Cl)n2)cc1 733682865 QOHBJADFTVUVTH-MLGOLLRUSA-N 430.888 5.255 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H](Oc2ccc(F)c(F)c2)c2ccccc2)c1 733773171 SVNNLSUQMXXLHX-DVECYGJZSA-N 436.458 5.082 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)c1 733847104 XAFQVCPAXPERNW-GJZUVCINSA-N 439.515 5.703 30 20 IKED C#CCN(C(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1)C1CCCCC1 735585874 JHUKVEUDQSZDGH-UGKGYDQZSA-N 435.534 5.066 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)c1 741555824 CBKLMTCVENSYCS-UHFFFAOYSA-N 430.573 5.239 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 743114712 PMRHQNSSUCQMFB-UHFFFAOYSA-N 429.451 5.127 30 20 IKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)COC(=O)c3ccncc3Cl)c2C#N)C1 745769230 KHTLRDGTJCETJX-ZDUSSCGKSA-N 445.972 5.005 30 20 IKED CCS(=O)(=O)c1ccccc1Oc1ccc(N=Cc2c(O)ccc3ccccc23)cc1 745977192 QIHPJUDUWAKQKS-UHFFFAOYSA-N 431.513 5.882 30 20 IKED COc1ccc(C=Nn2c(S)nnc2SCc2ccccc2)cc1OCCC(C)C 747610889 HCOYTNWXACHGPI-UHFFFAOYSA-N 442.610 5.175 30 20 IKED Cc1ccccc1-c1ccc(CN(C(=O)NCCNc2ccc(C#N)cn2)C(C)C)s1 748452715 FZCGXHVDMSERQT-UHFFFAOYSA-N 433.581 5.022 30 20 IKED O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc(N2CCOC2=O)cc1 748583652 IIZGQJLCSONYTQ-DTQAZKPQSA-N 449.510 5.451 30 20 IKED COc1cc(/C=C/C(=O)O[C@@H](C)c2ccc(C#N)cc2)ccc1OCc1c(C)noc1C 748682158 RPJMOJRUUSFKDX-UEICXMAYSA-N 432.476 5.068 30 20 IKED CC[C@H](C)Oc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 750684231 ODFVSPKFXMZFSQ-AVRDEDQJSA-N 428.488 5.617 30 20 IKED O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CC2(CCOCC2)C/C1=C\c1ccc([N+](=O)[O-])cc1 751517561 MDSLUNTVQBXUBG-IWGRKNQJSA-N 434.448 5.130 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1C#N 752756519 PDHJDJVMTGNMOO-OAHLLOKOSA-N 446.429 5.167 30 20 IKED COC(=O)[C@H](C)[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 754892347 YSCFPOBSVZVKKI-DKLXNKCPSA-N 427.504 5.014 30 20 IKED COc1ccc(COCCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 760967939 FTKVAGLWGVZPHJ-FQEVSTJZSA-N 440.952 5.645 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCCc1cccc(Br)c1 761038756 SNYLWTUSIPMYPN-HXUWFJFHSA-N 441.369 5.244 30 20 IKED C#CCOc1ccccc1-c1noc([C@@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)n1 761990298 SJBBMAGLNHWFPA-UWJYYQICSA-N 433.508 5.118 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)o2)cc1 768460528 DXZKFXVTPTZWEM-GOSISDBHSA-N 448.548 5.037 30 20 IKED N#CCc1ccc(OCc2cccc(N3C(=O)N[C@H](c4cccc5ccccc45)C3=O)c2)cc1 771879342 CIMOUGQFYJZRAO-AREMUKBSSA-N 447.494 5.282 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 772595078 QDJIOYJNAAQUGJ-FQEVSTJZSA-N 442.302 5.423 30 20 IKED N#C[C@@H](COC(=O)c1ccc(NC(=O)CSc2cccs2)cc1)Cc1cccs1 772731022 AZPAIBDATWLTHQ-HNNXBMFYSA-N 442.587 5.080 30 20 IKED Cc1nc(NCC(=O)O[C@H](C)c2cccc(C#N)c2)c2cc(-c3ccccc3)sc2n1 776083018 MYTSOWKWYKQFMM-OAHLLOKOSA-N 428.517 5.255 30 20 IKED O=S(=O)(Nc1nccs1)c1ccc(NN=C2CC=C(c3ccc(F)cc3)CC2)cc1 776770441 AQOOUORNZUJPBP-UHFFFAOYSA-N 442.541 5.118 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2c(C)cc(Br)cc2Cl)cc1C#N 778048574 ARWFASAKATXQEE-UHFFFAOYSA-N 436.693 5.103 30 20 IKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1ccc2ccccc2n1 779195092 SKXYJOPAIJFCJP-URXFXBBRSA-N 433.511 5.117 30 20 IKED CC(C)c1ccc(N2Cc3ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc3C2)cc1 780032949 UQRWLLNLVINRFA-MHZLTWQESA-N 447.579 5.530 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1 780934247 IQGDMVOVACQKIM-CYFREDJKSA-N 446.572 5.722 30 20 IKED Cc1c(Cl)cccc1N=C1SCCN1C(=O)c1cnn(-c2ccncc2)c1C(F)F 781870002 TWLDLQOWKFJYMN-UHFFFAOYSA-N 447.898 5.043 30 20 IKED CC[C@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1)c1ccccc1 787041329 OSIDHLHPJYNXRC-DQEYMECFSA-N 440.499 5.271 30 20 IKED C[C@@H](NC(=O)[C@H](C#N)C(=O)c1sccc1Br)c1ccc(Cl)cc1Cl 787049242 GLFDEWSYQJLMTP-LDYMZIIASA-N 446.153 5.017 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)CCc1cncc2ccccc12)c1ccc(Cl)cc1Cl 787052476 ZAOPSPABXYWPTG-XOBRGWDASA-N 440.330 5.060 30 20 IKED C#CCC1(C(=O)Nc2ccc(NC(=O)[C@@H](C)n3nc(C)cc3C)c(Cl)c2)CCCCC1 788436040 BQGXGRKDJUYGBC-GOSISDBHSA-N 440.975 5.265 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cc2sc(N3CCCC3)nc2s1 796634275 IKEYWRYPOITRLS-INIZCTEOSA-N 446.557 5.072 30 20 IKED C#CCN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 806496970 RILQCKRDPSSBDA-UHFFFAOYSA-N 427.291 5.243 30 20 IKED O=C(Cc1cc(F)cc2c1OCOC2)O[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F 809126526 QQQBPOCRMREDSQ-QGZVFWFLSA-N 438.295 5.100 30 20 IKED CC(=NNc1ncnc2c1cnn2-c1ccccc1)c1sc(-c2ccccc2)nc1C 814803021 GPRIKJHUYNJXBA-UHFFFAOYSA-N 425.521 5.084 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1SC(F)(F)F 914743970 PZNUOZPBCCYVHN-MYJAWHEDSA-N 439.343 5.938 30 20 IKED N#CCCn1cc(C(=O)COC(=O)c2ccccc2SC(F)(F)F)c2ccccc21 914946685 RJGQQBHSDBRBPZ-UHFFFAOYSA-N 432.423 5.207 30 20 IKED COc1ccc2c(C)c(CCC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)c(=O)oc2c1 915101512 DCWYXGWMEADRLR-HXUWFJFHSA-N 444.512 5.043 30 20 IKED N#C[C@@H](C(=O)/C=C/c1ccc(Br)o1)c1nc2cc(C(F)(F)F)ccc2s1 917044827 VITPUBJMEODOCL-FWEMWIAWSA-N 441.228 5.560 30 20 IKED CC1(C)CS/C(=N/Cc2ccccc2)N1C(=O)c1cccc(NC(=O)c2ccco2)c1 917556706 IVLFYNXEXISSAX-WJTDDFOZSA-N 433.533 5.056 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2[nH]c3ccccc3c2Br)cc1 918126883 HCPGFMKXJXAMLQ-IBGZPJMESA-N 430.305 5.838 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(N2CCCC2=O)cc1 919902494 MZZUAYDXBMHTJB-UHFFFAOYSA-N 440.503 5.108 30 20 IKED Cc1ccc(C)n1-c1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cnn1C 920109173 DQRKKQASSLGVNZ-KRWDZBQOSA-N 435.940 5.095 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3cccnc3Cl)CCC2)cc1 1789453379 YPOSHJAPNYEDQM-OAQYLSRUSA-N 437.971 5.180 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)c(OC)c3)CCC2)cc1 1789455987 HTBRARHCMNSEKD-QFIPXVFZSA-N 448.563 5.220 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3sccc3Cl)cc2)CCC1)C(F)(F)F 1789903196 QRPFPBHHLWETGC-UHFFFAOYSA-N 428.863 5.268 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(C)cccc3Cl)cc2)CCC1 1790684882 ZFGAOWBJKLCPJH-KRWDZBQOSA-N 441.959 5.197 30 20 IKED CC(C)(C)CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1cccc(C#N)c1)C2 1801828819 ARDBYXZKXLDPPG-BKFWDETESA-N 437.628 5.126 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cccs2)[nH]n1 1819553082 RWARRTOCNHVJMN-IBGZPJMESA-N 428.602 5.089 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nccc3occc23)CC1 1823752822 OSWKCEVPRTWJLM-OAQYLSRUSA-N 437.584 5.054 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)cccc2F)CC1 1824145893 OUNJYDLIBAOIKX-HSZRJFAPSA-N 426.576 5.136 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3occc3c2)CC1 1828254844 SPTBNBDKPFSEGL-HSZRJFAPSA-N 436.596 5.659 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C(C)=C/c2ccc(C)o2)CC1 1829007925 BVIBUJIGADVUPI-WRYPBRFRSA-N 438.612 5.379 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sccc2Cl)CC1 1829442557 NYQZNZYDBBBLKE-FQEVSTJZSA-N 435.033 5.403 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(C)snc3s2)CC1 1831371214 VPMPWXQGRQVBQR-BEFAXECRSA-N 445.654 5.112 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1831856555 YFONNVUUAVLBAU-VWNXMTODSA-N 431.020 5.275 30 20 IKED C=CCN(C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C)c1nc2c(s1)CCCC2 11220273 UHLUTTOQWZCQPP-UHFFFAOYSA-N 447.564 5.440 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1F)=C(/S)Nc1ccc(F)cc1F 11249069 OZMXUODNWXIFIC-UHFFFAOYSA-O 433.450 5.144 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2)c2ccccc2)nnc1-c1ccccc1 11321183 SGAPCOFXRGMVRI-QFIPXVFZSA-N 426.545 5.603 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 63667817 FEGHIXDLLYMZIH-UHFFFAOYSA-N 437.952 5.576 30 20 IKED C=CCc1cc(CNC(=O)Nc2ccc(Oc3cccnc3)c(C)c2)cc(OC)c1OC 65374225 AIUVPUWXBVVOMM-UHFFFAOYSA-N 433.508 5.250 30 20 IKED CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1 255364123 WERLLEPPLNKMPX-MRXNPFEDSA-N 436.364 5.364 30 20 IKED N#C[C@H](NC(=O)c1ccc(-c2ccccc2)nc1O)c1ccc(OCc2ccccc2)cc1 303242251 KHUJLYLMZURRET-VWLOTQADSA-N 435.483 5.028 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cc1Cl 304062137 RLVDPQXMHRJTDA-YPAWHYETSA-N 444.918 5.509 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(COC(C)(C)CC)c1C 428770224 ZTDLJRLXIWHGAN-UHFFFAOYSA-N 425.529 5.829 30 20 IKED O=C(c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 434038618 VFLKRWWECLAXKZ-SCLBCKFNSA-N 449.366 5.287 30 20 IKED N#Cc1ccc(CS(=O)(=O)Cc2ccc(Oc3cccc(Cl)c3Cl)cc2)cc1 437220681 JGKAFKHBSBXAAP-UHFFFAOYSA-N 432.328 5.772 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3ccncc3OCC(F)(F)F)c2)cc1 439502722 HBSBOWNOKNJHCH-UHFFFAOYSA-N 442.397 5.008 30 20 IKED Cc1cccc(Oc2ccccc2C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 440742067 RUZICROZVNUSKV-UHFFFAOYSA-N 439.515 5.150 30 20 IKED Cc1cncc(N(Cc2ccccc2Br)C(=O)C[C@H](CC#N)c2ccccc2)c1 441409498 BMQUWXWCWPGXLF-FQEVSTJZSA-N 448.364 5.773 30 20 IKED C=CCC[C@H](NC(=O)N(C)Cc1ccc([S@@](C)=O)cc1)c1ccc(C(F)(F)F)cc1 441532219 GKNCGLRGHZSMNH-WENCNXQZSA-N 438.515 5.292 30 20 IKED CC(C)(C)n1cc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c(-c2ccc(F)cc2F)n1 442613121 ARFPBHSNNRWCPQ-HNNXBMFYSA-N 448.395 5.487 30 20 IKED Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 464295472 LKFCJLGMDDVDSU-UHFFFAOYSA-N 442.441 5.291 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)c12 464464361 HOEBCKOIVWAUCN-MRXNPFEDSA-N 441.457 5.276 30 20 IKED CCc1nnc(-c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)o1 467515561 XNNCDLKVMQDGBX-UHFFFAOYSA-N 426.501 5.574 30 20 IKED N#C[C@H]1N(C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)CCC[C@]12CCCCO2 468127272 AKIXMZDWNQJXOG-SHQCIBLASA-N 445.538 5.360 30 20 IKED Cc1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)cc1Oc1ncccc1Br 468629802 MUMSDRCSWTYKCB-UHFFFAOYSA-N 448.320 5.487 30 20 IKED CCOc1cc(-c2nnc(SCc3ccc(F)c(C#N)c3)o2)cc(OCC)c1OCC 468648922 AZTFSVIRJIQFLJ-UHFFFAOYSA-N 443.500 5.236 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3C(F)(F)F)c2)c1 471721873 ZPUIWRJBCPFFSA-UHFFFAOYSA-N 443.812 5.735 30 20 IKED C=CCN(Cc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1)c1ccccc1 475116912 GEDCQUVEEANXIT-UHFFFAOYSA-N 431.483 6.039 30 20 IKED C[S@@](=O)Cc1cc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)ccc1Cl 479635363 LCVMZXBUUHJBEE-GDLZYMKVSA-N 440.977 5.494 30 20 IKED Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)o1 480288797 IHBPJKQCNBMKME-HXOBKFHXSA-N 442.519 5.717 30 20 IKED C[C@@H](N[C@H](c1cccc(F)c1)c1nccn1C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 480355743 KOFCVYPNSZGTHI-KZULUSFZSA-N 445.382 6.037 30 20 IKED C=C(C)Cn1c(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)nnc1-c1ccco1 480417151 NQDYFYGMKYLOBR-MRXNPFEDSA-N 440.594 5.124 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(F)ccc2C)nnc1-c1cccc(Cl)c1 481392993 OHSBAUZNJSESHE-CQSZACIVSA-N 430.936 5.351 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(n2ncc(C(=O)OCC)c2C)CC1 482234269 WNZOPQICPSTISU-UHFFFAOYSA-N 438.572 5.089 30 20 IKED N#C[C@@H](C(=O)c1cc(Oc2cccc(Br)c2)ccn1)c1nccc2ccccc12 483209603 KCLLIJCIAUQBRB-HXUWFJFHSA-N 444.288 5.675 30 20 IKED C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1 485753167 BVIVTHDQCNCRQO-UHFFFAOYSA-N 437.952 5.195 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1ccc(Br)cc1 490405660 WHIIFBJDHVBOPL-MRXNPFEDSA-N 435.435 5.108 30 20 IKED N#Cc1ccc(Br)c(CSc2nnc(-c3ccco3)n2Cc2ccco2)c1 491581335 LKRNTNIAYHAHCA-UHFFFAOYSA-N 441.310 5.106 30 20 IKED CC(C)c1nc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nn1-c1ccccc1Cl 499214388 WXIQCGWQJCDCGN-MRXNPFEDSA-N 447.951 5.658 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)cc1 499610053 JIGJWYZFOACGHG-UHFFFAOYSA-N 437.455 5.235 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc3c(c2)OCCO3)cc1Cl 503651626 CJTAPSZVXBFHHX-HXUWFJFHSA-N 433.895 5.088 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccccc3F)n2)o1 504551965 ALGHNBQHQSFXHL-UHFFFAOYSA-N 435.402 5.410 30 20 IKED CN(Cc1nc(C(F)(F)F)cs1)C(=O)Nc1ccc(F)cc1OCCC(F)(F)F 505783263 JPIIRHNXHUVYPM-UHFFFAOYSA-N 445.360 5.296 30 20 IKED N#C[C@H](NC(=O)c1cnc2ccccc2c1C(F)(F)F)c1cccc(Br)c1 506512878 WAQKSSWFTSGGEI-INIZCTEOSA-N 434.215 5.011 30 20 IKED C=CCN(CC(=O)Nc1c(C)cc(C)cc1Cl)CC(=O)Nc1c(C)cc(C)cc1Cl 507325593 KCAFDESYKAZINB-UHFFFAOYSA-N 448.394 5.292 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)cc1 507875001 SIZKXJTZZVZWPR-NRFANRHFSA-N 449.919 5.446 30 20 IKED N#CCCn1cc(CNc2cnn(-c3cccc(C(F)(F)F)c3)c2)c(-c2ccccc2)n1 507978201 FZTRUCKOQVZUED-UHFFFAOYSA-N 436.441 5.280 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(C)c2ccccc2C#N)c(OC)c1 508102710 MABMSXTWOYGUCX-UHFFFAOYSA-N 439.515 5.319 30 20 IKED N#C[C@@H](C(=O)c1ccc(OCc2ccccc2)nc1)c1nc(-c2c(F)cccc2F)cs1 508207602 UKAYLJSLKKZPLH-KRWDZBQOSA-N 447.466 5.552 30 20 IKED COCCSc1ccc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1 508560992 NYLKRQOFNUUXFQ-IBGZPJMESA-N 425.598 5.226 30 20 IKED C=C(C)CCc1noc([C@@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)n1 508645112 KGLQACXCGBAGRK-CQSZACIVSA-N 438.578 5.950 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC(Cc4cccc(F)c4)CC3)s2)cc1 509642045 WLAUHBMAWSMBCL-UHFFFAOYSA-N 434.540 5.231 30 20 IKED C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 509670732 LFGDMJZZUSKXHR-INIZCTEOSA-N 449.507 5.189 30 20 IKED C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511404598 LUIFBCJQIJCSSH-KRWDZBQOSA-N 435.474 5.835 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1Cl 512195666 LRSYRCHCHNLCFJ-HSZRJFAPSA-N 448.925 5.821 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cc1 512791977 HBZSMLDKCCBGDP-DEOSSOPVSA-N 445.519 5.138 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1OCC 512946597 BULJQKXIFDHOQP-MRXNPFEDSA-N 441.940 5.536 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 513658910 CGKNNJFWVZHBOE-CQSZACIVSA-N 434.908 5.329 30 20 IKED CCN(Cc1c(F)cccc1F)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 513982341 BEAKCVRMPNRYGK-UHFFFAOYSA-N 435.474 5.664 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccnc(N3CCCCC3)c2)cc1 516128295 HBQHNKVMZACXLW-UHFFFAOYSA-N 442.588 5.166 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 517517549 CGWRPBMUUYUWRM-KRWDZBQOSA-N 430.533 5.977 30 20 IKED C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)n2)C1 517704631 DKTNMIPSGNZZIV-GOSISDBHSA-N 446.576 5.486 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 518755626 LDDCCRAEGQALJS-VGSWGCGISA-N 446.576 5.254 30 20 IKED CC(C)c1ccc(OCCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 519100650 VTXSMLHRHHWRAI-UHFFFAOYSA-N 428.532 5.863 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)c2ccccc2SCc2cscn2)CC1 520365489 PJLHQAOBHAOLKM-UHFFFAOYSA-N 449.601 5.427 30 20 IKED C=CCN(CC(F)(F)F)C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 521185831 OTYWZFPMRDSEOV-UHFFFAOYSA-N 431.241 5.436 30 20 IKED C=CCn1c(SCC(=O)c2sccc2Br)nnc1-c1ccc(F)cc1 521346239 MKRZDKZJZHCMBC-UHFFFAOYSA-N 438.347 5.069 30 20 IKED CC(C)c1ccc(CN(C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)C2CC2)cc1 521743074 ZVZDUOGCXRNIPC-GOSISDBHSA-N 435.593 5.191 30 20 IKED Cc1c(C(=O)Nc2ccccc2S[C@H](C)CC#N)nnn1-c1ccc(F)c(Cl)c1 521797729 TXCGTRJFALQRRL-GFCCVEGCSA-N 429.908 5.015 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3nc(-c4cccc(Cl)c4)no3)c2)cc1 522427594 HBOKDQZTKSWEMC-UHFFFAOYSA-N 445.866 5.376 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1 523279140 WSBSULGDPASHKI-UHFFFAOYSA-N 443.484 5.296 30 20 IKED COCCOc1ccc(F)cc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 523957344 UDZDWPUAQJIQRO-UHFFFAOYSA-N 440.858 5.421 30 20 IKED N#Cc1ccc(CN2CCCN(C(=O)Nc3cc(F)ccc3Oc3ccccc3)CC2)cc1 524366599 JHOFQFSHFBEULX-UHFFFAOYSA-N 444.510 5.229 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3Br)cc2Cl)c1 524389864 CYRJGNCWCAVNAP-UHFFFAOYSA-N 441.712 5.805 30 20 IKED C=C[C@H](CC(=O)N1CCC[C@H]2CN(C(=O)C[C@H](C=C)c3ccccc3)C[C@H]21)c1ccccc1 533939646 RHAXUXIEXKRHQI-AYFYORAVSA-N 442.603 5.156 30 20 IKED C=CCc1cc(CNC(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)cc(OC)c1OC 535221819 STIOGUIUIBUQJZ-MRXNPFEDSA-N 431.602 5.223 30 20 IKED C[C@@H](C#N)CSc1ccccc1NCc1cc2c(cc1Br)OCCCO2 539638985 OIPHHXAEHFNURR-AWEZNQCLSA-N 433.371 5.474 30 20 IKED Cc1ccc(CN2CCSCC2)cc1NC(=O)c1ccccc1Oc1ccccc1C#N 540853165 AABPLYNGWLOQQK-UHFFFAOYSA-N 443.572 5.460 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCCC[C@H]1c1c(C)n[nH]c1C 541995026 CJLGRAZHIAHVGU-DEOSSOPVSA-N 443.551 6.148 30 20 IKED COC(=O)c1ccc(-c2nc(CNc3cccc(OCc4cccc(C#N)c4)c3)co2)cc1 542936375 NDSIJJHLACATNK-UHFFFAOYSA-N 439.471 5.191 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1)c1ccccc1 549304415 MOVGZLLUEBBHSH-QGZVFWFLSA-N 425.941 5.226 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3Cl)CC2)c(F)c1 552342631 OLBLGRXFEPMVSE-ZWKOTPCHSA-N 433.310 5.178 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)c1cc(C)n(Cc2cccs2)c1C 554876369 HCUDYEIIUDSYDM-UHFFFAOYSA-N 449.963 5.246 30 20 IKED CC(C)c1ccc(C[C@H]2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C2)cc1 566316159 JFPRERGVZLWYHQ-JOCHJYFZSA-N 433.571 5.128 30 20 IKED CC(C)[C@](C)(C#N)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 585720208 QNIFCHUXQODWHX-FQEVSTJZSA-N 426.523 5.024 30 20 IKED N#CCCCCCC(=O)NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 588251651 YAQWVSVGVLXLIC-LJQANCHMSA-N 428.363 6.197 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 590253752 ZCPWPIOZIZHASY-NSHDSACASA-N 435.343 5.113 30 20 IKED O=C(Cc1coc(-c2ccc(F)cc2)n1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603440393 YCUVICWYBBWUHN-VXGBXAGGSA-N 438.343 5.049 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CCN(c4ccc(Cl)cc4)C3)cn2)cc1 604468462 AMADEZGLJLTVMW-SFHVURJKSA-N 447.926 5.047 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(OC)ccc1Br 606775453 NTQXHBNQGCKQAL-UHFFFAOYSA-N 430.220 5.294 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)c1C#N 608878701 MFYJYDUPLZSUPH-INIZCTEOSA-N 448.592 5.128 30 20 IKED CC[C@@H](c1ccccc1)c1nnc(SCC(=O)N(CCC#N)c2cccc(Cl)c2)o1 609018605 HLFNQYIDYNRRBP-IBGZPJMESA-N 440.956 5.304 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1C(F)(F)F 609371529 MYLLPHKDIHUQTN-GFCCVEGCSA-N 439.415 5.025 30 20 IKED C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 609968697 ZMSGSXPQOKSUKJ-CQSZACIVSA-N 428.376 5.347 30 20 IKED N#Cc1ccc(-c2nnc(CSc3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)o2)cc1 610219355 LIGKBLHYDMVFFM-UHFFFAOYSA-N 435.512 5.958 30 20 IKED Cc1noc(-c2ccccc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1 610225245 HCRCGMLLBWHWFQ-UHFFFAOYSA-N 430.851 5.615 30 20 IKED COc1ccc(C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)CC2)cc1 610415885 XBUDJQYLMXEWPD-UHFFFAOYSA-N 428.492 5.166 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCC(OCc4ccc(F)cc4)CC3)c2)cc1 611261948 YXZOLSLDAUWPIS-UHFFFAOYSA-N 444.506 5.098 30 20 IKED CN(Cc1ccc(OC(F)F)cc1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612805477 IUSOSSZSTVUKKM-VXGBXAGGSA-N 448.354 5.339 30 20 IKED N#C[C@H](C(=O)c1cccc(NC(=O)c2ccco2)c1)c1nc(-c2ccc(Cl)cc2)cs1 613319696 LKTPJAMLJWFYBU-GOSISDBHSA-N 447.903 5.799 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)nnc1-c1ccncc1 613362068 IORXYAKYTVADKS-QZTJIDSGSA-N 443.576 5.037 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(Oc2cc(C)ccc2C)nc1 615662746 FLPKKSZWPXJFGB-UHFFFAOYSA-N 431.536 5.397 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1OC(F)F 642282130 NKPFSJUVHDPCDL-NSHDSACASA-N 442.365 5.415 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1nc2ccccc2[nH]1 726318072 BOLSJSKISDTNTP-OAHLLOKOSA-N 426.423 5.124 30 20 IKED CCOc1ccc(N(Cc2ccccc2O)C(=S)Nc2ccc(C#N)c(Cl)c2)cc1 726444310 NQUVGOGOCKUEGM-UHFFFAOYSA-N 437.952 5.720 30 20 IKED O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1N=Cc1ccc(Cl)c(C(F)(F)F)c1 727253573 IXIFVQQIIDRNGW-UHFFFAOYSA-N 447.756 5.050 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)C1CCN(c2nc3ccccc3s2)CC1 727298291 RKLISGVJRLMOJQ-UHFFFAOYSA-N 441.940 5.042 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C\c2cccc(OC3CCCC3)c2)cc1Cl 727953511 CRFUACSBZKOBIA-XADARROHSA-N 438.911 5.031 30 20 IKED Cc1cc2oc(=O)cc(CNc3ccc(OCc4cccc(C#N)c4)c(F)c3)c2cc1C 728298799 JMHDQOOGZUDWSY-UHFFFAOYSA-N 428.463 5.612 30 20 IKED Cc1cc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)c(C)n1-c1ccc(C#N)cc1 728373517 SMTVVRGUUZNQAE-UHFFFAOYSA-N 432.867 5.026 30 20 IKED CC(C)[C@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)S(=O)(=O)C1CCCCC1 728466146 PGPITQAUODHWRW-DNQXCXABSA-N 438.593 5.053 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2Cl)cc1 730375233 FHHVYKGQNMVDGA-UHFFFAOYSA-N 442.805 5.078 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(c2ccccc2F)CCCC1 731062054 FREMZZVOOUBRDF-QGZVFWFLSA-N 440.540 5.214 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@]1(O)CCCc2ccccc21 731399317 UIYAWMYXAANAQZ-AREMUKBSSA-N 427.504 5.005 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Cc2coc3cc(C)c(C(C)C)cc23)ccc1OC 733229092 WWTVZOZURPQRKU-FQEVSTJZSA-N 434.536 5.413 30 20 IKED C#CCOc1cccc(NC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c1 733633528 IEDKFHNXVGDPPL-UHFFFAOYSA-N 440.330 5.635 30 20 IKED CC[C@@H](NC(=S)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1cccs1 734381785 ZBDPXWKIEBOVOF-CYBMUJFWSA-N 429.558 6.210 30 20 IKED Cc1cc(C(=O)N(Cc2ccc(O)cc2)Cc2ccco2)c(C)n1-c1ccc(C#N)cc1 734863385 SYGDKNWPQLQUSH-UHFFFAOYSA-N 425.488 5.107 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)OCC(=O)Nc1c(C)cc(C)cc1Cl 740329759 ULUIRSYWDGLYMN-UHFFFAOYSA-N 441.833 5.336 30 20 IKED O=C(/C=C\c1cccc(OCc2ccccc2)c1)c1ccc(S(=O)(=O)CC(F)F)cc1 741851978 HDFXTNBTIWJQPE-ZROIWOOFSA-N 442.483 5.201 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 743447983 YTVYPGPKOGZUNL-MFKMUULPSA-N 440.352 5.206 30 20 IKED C[C@@H](ON=Cc1ccccc1OC(F)F)c1nc(-c2cccc(C(F)(F)F)c2)no1 744444230 TZTUHUUEDNWYFA-LLVKDONJSA-N 427.329 5.469 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=S)Nc1ccc(SC(F)F)cc1 745724827 YLFBBDPKIQUNSW-UHFFFAOYSA-N 425.529 6.277 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccccc3OC)n2)cc1 747020563 BXKJOMRUUXQHHK-HNAYVOBHSA-N 433.533 5.293 30 20 IKED CCOc1c(OC)cc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC 747533503 KYEGQESIQPKAQI-JOCHJYFZSA-N 445.519 5.080 30 20 IKED C[C@@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(C#N)cc1 748679977 MRUSNAKNIQNGEJ-CQSZACIVSA-N 447.413 5.006 30 20 IKED N#CCCN(CC(F)(F)F)C(=O)c1sc2cc(Br)ccc2c1Cl 748803276 NRHJYNMYHKOASD-UHFFFAOYSA-N 425.657 5.235 30 20 IKED COc1ccc(/C=C2\CCc3cc(SC(F)F)ccc3C2=O)cc1OCCCC#N 750917453 UMULEAZPGODZIG-SFQUDFHCSA-N 429.488 5.905 30 20 IKED C=C(Br)CNC(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 752309671 PANXQTKHVJIOES-UHFFFAOYSA-N 433.693 5.106 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(C)nc2Br)cc1 755832465 NRWUXBVGSXDQOB-UHFFFAOYSA-N 438.281 5.077 30 20 IKED Cc1ccc(-n2nc(Br)cc2C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1 756222131 ALUQUISZQGPPHM-CQSZACIVSA-N 437.322 5.043 30 20 IKED COCCOC(=O)Nc1cccc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1 756921762 JZQYPNBKGLODOK-UHFFFAOYSA-N 445.475 5.106 30 20 IKED Cc1ccc(N(C(=O)Cc2cccc(OCC#N)c2)c2nc3ccccc3s2)c(C)c1 760421435 QNMMYCYCIWVJLC-UHFFFAOYSA-N 427.529 5.723 30 20 IKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C(C)C)cc1)=C(/O)c1ccc(C#N)cc1 762440167 SQXRZAQGUPFKCM-UHFFFAOYSA-O 428.581 5.855 30 20 IKED C[C@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 767965403 NKFOEZVVDFYMQS-YADARESESA-N 445.563 5.076 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1sc(C(C)(C)c2ccccc2)nc1C 770098162 CLMPZFUONWWVRA-SFHVURJKSA-N 447.560 5.137 30 20 IKED CCCOc1ccc([C@@H](C)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1OCCC 777116316 TXMIJBGPSQVJND-LJQANCHMSA-N 437.584 5.270 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)c2c1N(C(=O)c1ccc(C#N)c(Cl)c1)CCC2 777778608 VPYGBHKMMQTGBL-UHFFFAOYSA-N 425.916 5.460 30 20 IKED CC(=O)N(c1nc(COC(=O)c2cccc(F)c2C#N)cs1)c1c(C)cc(C)cc1C 778373957 GBLRWTPEVBNMOS-UHFFFAOYSA-N 437.496 5.121 30 20 IKED C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 779845568 QLCRZIIRZMCKBN-HNNXBMFYSA-N 428.897 5.224 30 20 IKED N#C[C@H](C(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1)c1nc(-c2ccccc2)cs1 780311388 AZRDTOROBQAMNF-ZWKOTPCHSA-N 444.585 5.513 30 20 IKED C#CCCN1CCC(NC(=O)c2c(Cl)cccc2Oc2ccc(F)c(Cl)c2)CC1 780777416 VFEYOLPHJLXYEF-UHFFFAOYSA-N 435.326 5.142 30 20 IKED CCCc1c(NC(=O)c2ccc(C(F)(F)F)nc2Cl)cnn1-c1cccc(C#N)c1 784716385 TWAYAJFAJRNDNI-UHFFFAOYSA-N 433.821 5.016 30 20 IKED CCc1cc(C#N)c(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c2cc(C)nc(Cl)c2)s1 788432465 DVEUUBOGZALYGE-INIZCTEOSA-N 448.976 5.134 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccsc2)N(Cc2ccccc2)C1=O)Nc1ccccc1F 790748658 PBPVJURFEDDRTB-IBGZPJMESA-N 439.537 5.048 30 20 IKED CC(C)(C)OC(=O)Nc1ncccc1CC(=O)OCc1ccc(-c2ccccc2C#N)cc1 791759353 YTERSNBRCXHNEL-UHFFFAOYSA-N 443.503 5.253 30 20 IKED CN(C)C(=O)c1ccc(C(=O)/C=C\c2ccc(Br)cc2C(F)(F)F)cc1 792917327 JORZZUUMBBQILS-NTMALXAHSA-N 426.232 5.066 30 20 IKED COc1cccc(C2(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)CC2)c1 796798176 MHZJAAKBFYIHOL-QGZVFWFLSA-N 443.355 6.034 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)NCc2ccc(C#N)c(Cl)c2)cc1 801634440 YJWLWZCUIBSQKU-CQSZACIVSA-N 428.920 5.119 30 20 IKED C[C@@H](OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 803921655 GFDFDRCRTQITFG-LLVKDONJSA-N 446.265 5.390 30 20 IKED CC(C)(C)OC(=O)N1CCC(C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)CC1 914898236 OPUIIYHUBQEZRF-UHFFFAOYSA-N 448.563 5.077 30 20 IKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C=C2C(=O)c3ccccc3C2=O)c1 915839064 WCBACHCOPFLYRK-UHFFFAOYSA-N 436.467 5.019 30 20 IKED N#CCOc1cccc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CCC3)c1 916410541 GLYNNQZOGJYWGU-VLGSPTGOSA-N 435.483 5.859 30 20 IKED CCCCOc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)ccc1OC 916546297 KMQDUYSITQUZJZ-UHFFFAOYSA-N 430.961 5.294 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(SCc2ccccc2)cc1 916924339 BVKWFVVVVVHVTO-OAQYLSRUSA-N 430.529 5.339 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 916936949 YFBFUFHXUQAMMK-AWEZNQCLSA-N 431.851 5.011 30 20 IKED COc1cccc(CO[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 916976418 NWZLRJJKDVQDCK-LIRRHRJNSA-N 426.925 5.254 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)cc1 918566668 XVFCPFVQXYEFAG-TZRRMPRUSA-N 449.579 6.640 30 20 IKED CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)[C@@H](Oc1ccccc1C#N)C(C)C 919638233 ZBPLMVVEUMEDGW-VWLOTQADSA-N 436.552 5.390 30 20 IKED O=C(Nc1ccc(N2CCCC2)c(F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 919652692 FDLMCSVCBFJKJR-RYUDHWBXSA-N 427.364 5.021 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(N2CCCC2=O)cc1 920978323 VQUBFGUZFKIQAV-SFHVURJKSA-N 440.503 5.360 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)C4(C(F)(F)F)CCC4)CCC3)cc2)c1 1790255328 ZREVDTYYJZRJAP-UHFFFAOYSA-N 441.453 5.039 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(F)ccc3C(F)(F)F)CCC2)cc1 1792266241 FAWJYMRZZJSMKB-UHFFFAOYSA-N 432.417 5.006 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)c2cccs2)[nH]n1 1819309539 CWGHFICUXMVXSZ-LMMKCTJWSA-N 426.586 5.035 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ccoc23)n[nH]1 1821535236 CDZVBDQSMALZFA-WIYYLYMNSA-N 432.524 5.230 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ncccc23)CC1 1824142321 OEMBDTWKBLATEA-SANMLTNESA-N 445.607 5.237 30 20 IKED CC(C)=CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1830255247 PMYJIUUVWJNTOG-JOCHJYFZSA-N 442.003 5.191 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(C)snc3s2)CC1 1831371215 VPMPWXQGRQVBQR-DNVCBOLYSA-N 445.654 5.112 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2oc3ccccc3c2C)CC1 1831446137 URFSBEGZUCFIQV-HXUWFJFHSA-N 444.522 5.186 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N(CC)Cc2ccccc2)nnc1-c1ccc(Cl)cc1 10240317 ZQJOHCKMKYPYJJ-KRWDZBQOSA-N 441.000 5.314 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(SC(F)F)cc3)s2)cc1 10392501 AHCXSJAWWLTMOM-UHFFFAOYSA-N 434.518 5.269 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccccc2Cl)cc1 10827655 GGXSFUODDDUPJH-UHFFFAOYSA-O 430.018 5.919 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(OC(F)F)cc2)c1 22730282 JVNXDBQVDBENTM-UHFFFAOYSA-O 449.449 5.213 30 20 IKED N#Cc1cccc(NC(=O)CCSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)c1 26361575 ZKZWLQUVPCRVGO-UHFFFAOYSA-N 443.507 5.066 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C(=O)Nc1cccc(C(C)=O)c1)C(C)C 32785518 VQKMBEDLSHMUBK-HSZRJFAPSA-N 448.592 5.013 30 20 IKED CC(C)CCOc1ccc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 60488430 KZKGOOOXHWQRRG-GOSISDBHSA-N 435.549 5.191 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(Oc2cc(C)ccc2C)nc1 63401660 AMXNHRXISHLLMT-UHFFFAOYSA-N 446.507 5.297 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1OCc1ccccc1 63402741 HCGPPHIFRJRXCG-UHFFFAOYSA-N 431.492 5.072 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1 63951143 IFCYCPBBGMJJJY-UHFFFAOYSA-N 447.494 5.642 30 20 IKED N#CCCn1cc(/C=C\C(=O)N2CCC(c3nc4ccccc4s3)CC2)c2ccccc21 96565413 DBEBMEDFGOSAFN-KHPPLWFESA-N 440.572 5.584 30 20 IKED CCc1cc(C#N)c(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)s1 108395580 HOEXCWYKTIFYJH-HXUWFJFHSA-N 437.952 5.335 30 20 IKED N/C(=N/OCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(Oc2ccc(F)cc2)nc1 302955933 FNPMPHAUSFNCML-UHFFFAOYSA-N 438.846 5.159 30 20 IKED Cc1ccc(OC2CCN(CC(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)cc1C 303355492 GBEXPEQYQDCKNW-SFHVURJKSA-N 437.609 5.037 30 20 IKED N#C[C@H]1CN(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3Cl)nc3ccccc23)CCO1 303357148 RXMUUUPPQUAXGK-LBPRGKRZSA-N 446.721 5.227 30 20 IKED C[C@@H](Sc1nnc(Cc2cccs2)n1CCc1ccccc1)c1ccc(C#N)cc1 303651161 BCSHIBBZQAPYPZ-GOSISDBHSA-N 430.602 5.898 30 20 IKED C=C(C)COc1cccc(NC(=O)c2cc(Br)sc2Br)c1 303671225 PEWWPUMQUFSDCR-UHFFFAOYSA-N 431.149 5.480 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1 409542037 BSTFNEDJKJQXLD-LADGPHEKSA-N 444.506 5.360 30 20 IKED CC(C)(C(=O)N[C@@H](C#N)c1cccc(Br)c1)c1csc(-c2cccs2)n1 409991247 FYPKRUBAOIYDKJ-AWEZNQCLSA-N 446.395 5.293 30 20 IKED Cc1cc(C)cc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 410422276 XSTPSCHRBIGXFG-JPYJTQIMSA-N 445.950 5.428 30 20 IKED N#Cc1ccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)c(Cl)c1 426147927 FTGWFTAFHQUJCQ-UHFFFAOYSA-N 444.844 5.860 30 20 IKED Cc1ccc(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC(C)C 427232219 PUEBILIDJKWOBT-UHFFFAOYSA-N 429.476 5.023 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3ccc(OC)cc3)no2)nnc1-c1ccc(C)cc1 428016481 WXJYXDXQCPGANW-MRXNPFEDSA-N 433.537 5.351 30 20 IKED CC(C)Oc1cc(O)ccc1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 433519621 MCJCLNRKDOYSLZ-UHFFFAOYSA-N 431.492 5.468 30 20 IKED Cc1cc(SC2CCCCC2)ccc1NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C 435008415 LJNODDXPNOJSSS-UHFFFAOYSA-N 438.597 5.425 30 20 IKED N#Cc1csc(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)c1 437663804 XVQZBZHTOVCQCR-UHFFFAOYSA-N 433.386 5.282 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)cc1 438531172 HYBPCCAIIDWMDJ-UHFFFAOYSA-N 426.925 5.149 30 20 IKED N#Cc1cnc2c(Br)cccc2c1N1CCC(C(F)(F)F)(C(F)(F)F)C1 440677479 NPRPLQJIHSBTCB-UHFFFAOYSA-N 438.169 5.190 30 20 IKED CN(CC(C)(C)C)C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1 442671362 LYUGDECOJORGHD-QGZVFWFLSA-N 439.968 5.558 30 20 IKED CCO[C@@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1 444845223 FMQJTNCFYPHGFP-VWLOTQADSA-N 429.520 5.231 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 460958300 KJUKQBISOHNOAA-ILBGXUMGSA-N 444.579 5.248 30 20 IKED Cc1nc(CSc2ccccc2C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cs1 464423947 DVUANKQJAOKUQZ-MRXNPFEDSA-N 433.480 5.648 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccccc1COCc1ccccc1 465528279 OPRBAEDMSZHGQS-RRPNLBNLSA-N 439.559 5.385 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)c1 466313479 XGVVODUNBOTYFE-DEOSSOPVSA-N 432.907 5.004 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCc1nc(C(F)(F)F)cs1 466489492 SAPWODVOHSOKOQ-UHFFFAOYSA-N 446.454 5.499 30 20 IKED C[C@](Cc1nc2ccccc2s1)(C(=O)NCCc1cccc(C#N)c1)c1ccccc1 466616225 CWYQIILYYGJLNQ-AREMUKBSSA-N 425.557 5.027 30 20 IKED CC(C)(C)OC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 469512329 QCLJYNXIGVJQPH-NRFANRHFSA-N 425.960 5.807 30 20 IKED C[C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Cl)c(Cl)c1 469952000 DSTUXVSVVCDNAN-CQSZACIVSA-N 430.335 5.319 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3cc4ccccc4cc3OC(F)F)ccc21 470769702 RDTYQSNGZDLUPU-UHFFFAOYSA-N 449.457 5.276 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@H]1c1nc2ccccc2o1 474223544 RICZEJSPQPLGMI-XLIONFOSSA-N 434.565 5.388 30 20 IKED C[C@@H](Sc1ccccn1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 475532719 USSMRRHIBPTMIF-GFCCVEGCSA-N 448.495 5.139 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CCC[S@](=O)c1ccc(Br)cc1 476121786 YYMZIHUWSOBSKO-MHZLTWQESA-N 448.426 5.828 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CSc1nnc(-c2ccccc2)n1[C@H](C)CC 476123289 OPRVBYUHDKIHOI-LJQANCHMSA-N 448.636 6.499 30 20 IKED Cc1cc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)nn1[C@@H](C)C1CC1 480305070 BRVBIDNOUZOORQ-SFHVURJKSA-N 429.524 5.452 30 20 IKED Cc1nc2c(cnn2C(C)C)cc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 481002435 CAKIGXMRSACEBI-OAHLLOKOSA-N 437.475 5.212 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccccc1C(C)C 481351351 WOINWCQHCHLRRO-GOSISDBHSA-N 436.581 5.286 30 20 IKED N#Cc1cc(NC(=O)c2cc(Br)ccc2Cl)ccc1OCC(F)(F)F 481923799 SWFMCOLXWNXBBZ-UHFFFAOYSA-N 433.611 5.168 30 20 IKED C[C@H](c1cc(F)ccc1F)N(C)C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 482431097 CCDAKQLHDPFFGU-HWPZZCPQSA-N 438.343 5.572 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@@]3(C2)OCc2ccccc23)cc1 482471482 CIRTXUVKSAZRQM-MHZLTWQESA-N 440.568 5.512 30 20 IKED O=C(NC1CC(F)(c2cccc(Cl)c2)C1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 483505049 XTBZMMJAPXCDOV-UHFFFAOYSA-N 432.767 5.194 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cnc(-c4ccsc4)s3)c2)c1 486617596 HWIOVVYYJOBHFK-UHFFFAOYSA-N 430.514 5.248 30 20 IKED Cc1cc(C(=O)N[C@H](CCCC#N)c2ccccc2)nn1-c1ccc(Br)cc1 487449952 SCHODCCYVZKOGT-HXUWFJFHSA-N 437.341 5.108 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3cccs3)no2)nnc1-c1cccc(OC)c1 488895973 IOAVPFRMURCEQD-ZDUSSCGKSA-N 425.539 5.105 30 20 IKED CC(C)(C)C[C@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)c1ccc(Cl)cc1 493472422 KRXSCYVIYMMAOM-NRFANRHFSA-N 441.959 5.255 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](c1ccccc1)c1ccccc1OC 495164574 HQZYQJGYAOSWFC-RUZDIDTESA-N 432.568 5.350 30 20 IKED CSCC[C@@H](C)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 496339402 FTQKARYUGDJUKL-GFCCVEGCSA-N 442.532 5.230 30 20 IKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1sccc1C#N 497989011 OVULGQLRELJPGB-UHFFFAOYSA-N 429.423 5.452 30 20 IKED N#Cc1cc(C(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)cnc1C(F)(F)F 498699611 AXEIUQUFGIXPGF-ZDUSSCGKSA-N 441.253 5.024 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C 498924232 NGUHLBRKHITRSP-UHFFFAOYSA-N 426.520 5.563 30 20 IKED CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 502514480 FFOZYKYVRRQHPO-DEOSSOPVSA-N 435.549 5.087 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC(n2cc(Cl)cn2)CC1)c1ccc(C(F)(F)F)cc1 504396642 ORFHJDCHVIYZKE-LJQANCHMSA-N 440.897 5.609 30 20 IKED N#C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1Cl 505694795 PPAMKLWLBZHZHW-QGZVFWFLSA-N 434.710 5.615 30 20 IKED Cc1ccc(CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C(C)C)s1 509996615 GLHLNOSVDVGYPZ-UHFFFAOYSA-N 433.577 6.258 30 20 IKED COc1ccc(OC)c([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 510023304 JVUDQXCIRFAMEJ-OPAMFIHVSA-N 449.938 5.895 30 20 IKED CC(C)n1c([C@H]2CCCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)nc2ccccc21 510643529 BWRUKLVRPJOMHU-IBGZPJMESA-N 449.986 5.350 30 20 IKED Cc1ccc([C@@H](N[C@@H](C)c2ccc(C#N)cc2F)c2cccc(S(C)(=O)=O)c2)c(C)c1 512665044 CYIHRMHVSLEVQF-BVZFJXPGSA-N 436.552 5.158 30 20 IKED C=CCN(C(=O)c1ccc([N+](=O)[O-])n1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 514520088 XNXXDNWDBXGRBP-UHFFFAOYSA-N 437.308 5.196 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)COc3ccccc3-c3ccccc3)s2)cc1 514525288 IWJAGGWXEJGXLT-UHFFFAOYSA-N 425.513 5.290 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 515511802 UKUWAFNZMRXNLZ-UHFFFAOYSA-N 444.491 5.009 30 20 IKED Cc1ccc([C@@H](NC(=O)CNc2ccccc2S[C@H](C)CC#N)c2cccs2)cc1 517534887 JDHNXFRDKALWRY-HOYKHHGWSA-N 435.618 5.769 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C)n(Cc4ccccn4)c3C)n2)cc1 517801181 ZKDYQXHJGJEJDL-JOCHJYFZSA-N 442.544 5.170 30 20 IKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(F)cc1 517859707 PIYOURFAOZYUQP-QHCPKHFHSA-N 445.494 5.332 30 20 IKED CN(CCCC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 517896255 ADRWRBUPHPPULK-HXUWFJFHSA-N 441.959 5.581 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2[nH]c3ccc(Br)cc3c2Cl)cc1 518172999 CDLICIXMAWNBTA-UHFFFAOYSA-N 446.732 5.543 30 20 IKED Cc1c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)oc2ccc(Br)cc12 518241074 ULJUIJQTZOYKIT-LBPRGKRZSA-N 429.339 6.150 30 20 IKED N#Cc1ccccc1N1CCCN(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)CC1 518473200 FLYMFMCOSXSEIQ-UHFFFAOYSA-N 430.483 5.234 30 20 IKED CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1=O 519515305 BTEABKJUUWVAOZ-IPMKNSEASA-N 435.593 5.586 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1 522576671 XMDMAQBOAZEATN-UHFFFAOYSA-N 437.455 5.235 30 20 IKED COc1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)ccc1NC(C)=O 522634723 IRAJPBPKCNKTPG-UHFFFAOYSA-N 435.867 5.223 30 20 IKED CCOc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OCC 524119741 BLKOXWBBHPJYGV-UHFFFAOYSA-N 430.504 5.495 30 20 IKED Cc1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C(C)C)n1 524473083 IAWNLDBQWXUJNB-AWEZNQCLSA-N 431.348 5.829 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)Nc3cccc(Cl)c3Cl)cc2)c1 525888061 PSUCBWOJMFBEDI-UHFFFAOYSA-N 440.286 5.021 30 20 IKED CC(=O)c1ccc2c(c1)CCN(C(=O)c1ccc(Oc3ccccc3C#N)c(Cl)c1)CC2 534155624 ZNLLEZTYTJKPPZ-UHFFFAOYSA-N 444.918 5.448 30 20 IKED CC[C@@H](C)n1ncc(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1C1CC1 534230937 SDNQUNPZSLDRPS-MRXNPFEDSA-N 442.523 5.499 30 20 IKED N#C[C@@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)c1ccc(OC(F)(F)F)cc1 535069862 XKNCWKCNYLPRDR-OAHLLOKOSA-N 439.846 5.162 30 20 IKED Cc1ccc(SC2CCCC2)c(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1 537337790 CNTXSFHSGITPLN-UHFFFAOYSA-N 435.593 5.416 30 20 IKED CCCCc1ccc(N(C(=O)[C@H](C)n2cnc(C#N)n2)c2nc3ccccc3s2)cc1 539502981 DILAOXNMEAIUAY-INIZCTEOSA-N 430.537 5.028 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 539761496 KNBKHIGPRVSJCV-HKUYNNGSSA-N 446.580 5.277 30 20 IKED N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1)c1nc2ccccc2o1 542130179 WTILTCUEFNTOQL-INIZCTEOSA-N 435.266 5.856 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)oc1C 543215449 PJUGAXQMHDRRKU-UHFFFAOYSA-N 446.290 5.106 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN(Cc2ccc(C#N)cc2)C2CC2)cs1 544109026 KCWFNINBTWHGMI-UHFFFAOYSA-N 430.577 5.481 30 20 IKED C=CCNC(=O)c1cccc(-c2noc(-c3sc4nc(C(F)(F)F)ccc4c3C)n2)c1 547061775 IIHLJUFVFSAGIR-UHFFFAOYSA-N 444.438 5.256 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 553452241 LWUQQYKEZJTPNA-UHFFFAOYSA-N 444.583 5.077 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 557607656 MDSVVFHZNOULNA-UHFFFAOYSA-N 431.540 5.327 30 20 IKED CCN(CC)CCN(Cc1cccs1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 580368628 XSBQVUJSXLFLBH-UHFFFAOYSA-N 449.580 5.183 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 582629505 NPCIQHOJFMBRFL-KBAYOESNSA-N 441.557 5.074 30 20 IKED CC(C)(C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 589052481 XXVUNTMTGBBGPT-BETUJISGSA-N 435.330 5.572 30 20 IKED COc1ccc(Br)c2[nH]c(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)cc12 592973621 ILILOELXDVVXQZ-NSHDSACASA-N 444.285 5.178 30 20 IKED N#Cc1cc(NC(=O)Cc2csc(-c3cc(Br)cs3)n2)ccc1Cl 603952107 AHEGDJUVYKQZMA-UHFFFAOYSA-N 438.759 5.340 30 20 IKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)Nc3cccc(OCCCC#N)c3)c12 609019877 ARGNLJJXUFMXEL-UHFFFAOYSA-N 430.464 5.541 30 20 IKED Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 609078449 RGHUWGMWVUFJCI-AREMUKBSSA-N 425.532 6.123 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C3CCC(NC(=O)CC4CCCC4)CC3)c2)cc1 609176261 DLLGSJFJBBGTRY-UHFFFAOYSA-N 445.563 5.544 30 20 IKED COCc1cccc2sc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)nc12 609186590 FXSMPRBHILBTEM-UHFFFAOYSA-N 429.501 5.146 30 20 IKED COc1ccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1OC 609378609 YVCSMMIEYOJAFG-UHFFFAOYSA-N 438.471 5.300 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCCC[C@@H]3c3cc4ccccc4[nH]3)cn2)c1 609398995 CKNUICJHEPKRGM-XMMPIXPASA-N 437.503 5.986 30 20 IKED CC[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)C1CCCCC1 609406631 ZUKKFESCWXIUBB-MRXNPFEDSA-N 441.519 5.125 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(COCc2ccccc2)c1 609436797 UKKHBJFQXNSVDZ-FQEVSTJZSA-N 445.588 6.119 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 609437263 XFDQARIBYXJBIK-KRWDZBQOSA-N 448.592 5.170 30 20 IKED CCCCOc1ccc([C@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1OC 609500938 SNEKMZZHLPWTSI-SFHVURJKSA-N 445.519 5.424 30 20 IKED CN1CCC(N(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c2ccccc2)CC1 609566825 PVFUPWYKLSDVFT-UHFFFAOYSA-N 425.532 5.286 30 20 IKED C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 609928099 VOFCTHIQXLEFCK-KRWDZBQOSA-N 446.938 5.559 30 20 IKED CN1CCC[C@@H](CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@@H]1c1cccs1 610180862 STMQKPWTEWPBNK-SQJMNOBHSA-N 445.588 5.012 30 20 IKED C[C@H](NC(=O)CSc1ncnc2scc(-c3ccccc3)c12)c1cccc(C#N)c1 610359387 IGUOUSFCHMGTGT-HNNXBMFYSA-N 430.558 5.199 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3NC(=O)c3ccccc3)n2)cc1 613314427 OSJHJCYQKZYSMK-OAQYLSRUSA-N 437.524 5.861 30 20 IKED CC(=O)Nc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1C 613346956 SVCLSXRVIOMVLS-INIZCTEOSA-N 444.343 5.874 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](c3ccccc3C)C3CCC(C)CC3)CC2)o1 619436155 ZIUMHWUBLRGGIZ-KGGRFHARSA-N 434.584 5.063 30 20 IKED Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 619477110 DRRPEIFJXCRQMV-UHFFFAOYSA-N 430.851 5.615 30 20 IKED O=C(Nc1ccc2c(cnn2C(F)F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 676599539 MHCGTQNBHXICRV-NXEZZACHSA-N 430.299 5.026 30 20 IKED Cc1cc([C@H](NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C2CC2)ccc1F 677590429 VTDSNVQYVMGMAB-IJEWVQPXSA-N 426.376 5.358 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1F)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 685075098 IZRCPZZZFGASEA-GFCCVEGCSA-N 440.319 5.091 30 20 IKED CC(C)(C)OC(=O)N1CCc2cc(NC(=S)Nc3ccc(C#N)c(Cl)c3)ccc21 726494950 VJDYKOWPFBBJLX-UHFFFAOYSA-N 428.945 5.318 30 20 IKED Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1csc(-c2cccs2)n1 728427309 BQKBIDXTUKEPRJ-UHFFFAOYSA-N 438.390 5.608 30 20 IKED C#CCOc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)cc1 730983188 YOEWSWAYIFLVCY-UHFFFAOYSA-N 425.410 5.033 30 20 IKED Cc1c(C(=O)/C=C/c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cnn1-c1cccc(Cl)c1 731565420 OOKHFRHZPCWEQF-DHZHZOJOSA-N 447.882 5.039 30 20 IKED C#CCN(C(=O)Nc1cccc(Cl)c1F)[C@@H]1CCOc2ccc(Br)cc21 733617958 OKKSOPSMXRLQKQ-MRXNPFEDSA-N 437.696 5.233 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)NCC(C)(C)c2cccc(C(F)(F)F)c2)c1 733801699 UFBJIZUSQPWZES-LJQANCHMSA-N 433.474 5.163 30 20 IKED C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 733903178 NQAGJBZNAVGEOT-ZDUSSCGKSA-N 438.896 5.301 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1 734080545 VKDSMFSVGFVPAA-HXUWFJFHSA-N 441.874 5.642 30 20 IKED N#Cc1ccccc1/C=C/C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 735014671 BGROOYKHVLQFMJ-AATRIKPKSA-N 437.286 5.164 30 20 IKED CC(C)[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1nc2ccccc2[nH]1 740467406 NKWNUPMXEPGVSJ-QFIPXVFZSA-N 429.549 5.360 30 20 IKED CSc1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 741113658 OEKIWYROMXVCMX-SWLSCSKDSA-N 430.501 5.454 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)cc1 741681690 SSNFHJOUNOVCKV-UHFFFAOYSA-N 426.303 6.050 30 20 IKED CCC(=NNc1ncnc2cc(-c3ccc(Br)cc3)sc12)c1cnn(C)c1 741812275 PTSLZNIGSGPPSR-UHFFFAOYSA-N 441.358 5.081 30 20 IKED COCCOc1cccc(F)c1C(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)s1 741840915 HCZJXYFYYUMRCV-PKNBQFBNSA-N 427.453 5.384 30 20 IKED N#CCOc1ccc(CN[C@H](c2ccccc2)c2ccc(Br)cc2F)cc1 742259414 YITMXOVHXRWBNQ-JOCHJYFZSA-N 425.301 5.370 30 20 IKED C[C@H](c1ccccc1Cl)N(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C1CC1 743093505 VNBHRMQQXCNVIK-HOYKHHGWSA-N 429.951 6.753 30 20 IKED Cc1cc(/C=C/C(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)c(C)n1C1CCCCC1 744611083 PUNJJHCYMZXKDG-OUKQBFOZSA-N 430.508 5.288 30 20 IKED C=CC[C@@H](NC(=O)N(Cc1ccccc1)[C@@H](C)Cc1ccccc1OC)c1ccncc1 745826782 DIILZIIODSBASA-SQJMNOBHSA-N 429.564 5.550 30 20 IKED CCSc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1 755606794 LPVXMEZLXBGAQG-JYRVWZFOSA-N 426.538 5.975 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H](OC2CCOCC2)c2ccccc2)cc1 758410146 NQWKZPVARIFHOT-UIOOFZCWSA-N 426.516 5.217 30 20 IKED CCN(C(=O)Cc1ccc(OCC#N)cc1)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 760114648 OQRAUKDSJPHDKG-HXUWFJFHSA-N 428.532 5.417 30 20 IKED CC(C)Cn1ncc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1C(F)F 760805384 QHMXEURWMODWGB-UHFFFAOYSA-N 429.496 5.399 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCCCN3Cc3ccc(F)cc3)n2)cc1 760974983 UMXKTQWBBFSUMF-GGAORHGYSA-N 449.551 5.189 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)c3csc(-c4ccc(Cl)c(Cl)c4)n3)CCO2)c1 762310088 LYKFQMZLSXUERC-IBGZPJMESA-N 444.343 5.202 30 20 IKED Cn1cc(/C=C/C(=O)c2cc(Br)ncc2F)c(-c2cc3ccccc3o2)n1 762422945 NMJPVCMYQBVYGN-VOTSOKGWSA-N 426.245 5.026 30 20 IKED C[C@@H](CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 763368234 ROMFRFBGGSBMNQ-CEXWTWQISA-N 445.629 5.550 30 20 IKED C=C(C)Cn1c(SCC(=O)N(Cc2ccco2)C2=CCCCC2)nnc1-c1ccncc1 765337766 UGYSKXQSKVNTQR-UHFFFAOYSA-N 449.580 5.088 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)C[C@@H](O)c1ccc(F)cc1 765971544 ZRWKTPPWLOLSIP-BXKMTCNYSA-N 433.483 5.432 30 20 IKED C[C@@H]1CCC[C@H](OCCCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)C1 766624195 FHSIAZJIJXEHBE-BVYCBKJFSA-N 435.593 6.014 30 20 IKED N#CCCCn1cc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc21 774054180 QWJKOTAZFZGIMF-SFHVURJKSA-N 439.302 5.213 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(COC(=O)c2ccc(C#N)c(Cl)c2)cs1 778543452 OCKNEXBXISBGKR-UHFFFAOYSA-N 446.315 5.363 30 20 IKED N#CCOc1ccc(CN[C@@H](c2ccccc2)c2cc(Br)ccc2F)cc1 779092702 CTFMGWDJBGIZOQ-QFIPXVFZSA-N 425.301 5.370 30 20 IKED Cc1cc(F)ccc1-c1ccc(C(=O)[C@@H](C#N)C(=O)NCc2cccc(Cl)c2)cc1F 786538656 OELYDLXETNCFIE-OAQYLSRUSA-N 438.861 5.233 30 20 IKED Cc1ccc(Br)nc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 786627026 GYXCNMZVAQIHCG-UHFFFAOYSA-N 444.276 5.429 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)/C=C\c1nc2ccccc2s1)c1ccc(Cl)cc1Cl 787052591 ZSDXEPGRTWYISO-QKCOMIDHSA-N 444.343 5.203 30 20 IKED N#C[C@H](C(=O)CN1CCC(F)(c2ccc(Cl)cc2)CC1)c1nc2ccccc2s1 799181449 LDABPRRTGNDYFK-QGZVFWFLSA-N 427.932 5.087 30 20 IKED CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(CC#N)cc2)c2c[nH]c3ccccc23)cc1 806794310 ZMOWGBIGUVQTPR-XMMPIXPASA-N 437.547 5.254 30 20 IKED C=C(C)Cn1c(SCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])nnc1-c1ccncc1 809959860 OYIQORJHHUVFNB-UHFFFAOYSA-N 436.324 5.424 30 20 IKED O=C(NOC/C=C\Cl)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 810208045 RZMNDIKDSXCLLF-SYBPUXJVSA-N 444.681 5.311 30 20 IKED Cc1ccc2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc2c1 810529730 MZLTUDJLZZMXFO-LJQANCHMSA-N 426.497 5.963 30 20 IKED COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 812086299 YUTLEGFQZAAVTP-HXUWFJFHSA-N 442.350 5.111 30 20 IKED N#C[C@@H](C(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1cc(C(F)(F)F)ccn1 813211300 HVXDBAPIEKCWKP-IIBYNOLFSA-N 448.803 5.889 30 20 IKED Cc1cc(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)c(C#N)cc1N(C)C 813378951 SZADEPOAPBYTGA-UHFFFAOYSA-N 437.499 5.267 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(-c2noc(C(C)(C)c3cc(F)cc(C#N)c3)n2)cc1 904715987 BCDMWJUTWGUXQM-UHFFFAOYSA-N 436.487 5.098 30 20 IKED CCCCc1nnc(S)n1N=Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 916302614 YSZHPEGNFJWGFK-UHFFFAOYSA-N 431.905 5.146 30 20 IKED CCCOc1c(Cl)cc(C=Nn2c(S)nnc2-c2ccccc2C)cc1OCC 916341917 PBVCLXOJEKJSEU-UHFFFAOYSA-N 430.961 5.265 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 916680180 GBKRNMXHAGSZHZ-LOSJGSFVSA-N 441.531 5.261 30 20 IKED C#CCOc1ccc(Br)cc1CNCc1ccc(Oc2ccc(F)cc2)nc1 916834960 IDGLIDUIDDFOHU-UHFFFAOYSA-N 441.300 5.077 30 20 IKED Cc1ccsc1/C=C1/CC2(C/C(=C/c3sccc3C)C1=O)C(=O)Nc1ccccc12 917518286 YZXJWOZEAVBMFD-WHYMJUELSA-N 431.582 6.146 30 20 IKED N#CCOc1ccccc1C(=O)N(Cc1cccs1)c1ccc(Br)cc1 920002411 AOWCOBAVAQXXQG-UHFFFAOYSA-N 427.323 5.260 30 20 IKED CCOc1ccccc1OCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920143388 VZUNPCUZSKRXNG-LJQANCHMSA-N 431.517 5.116 30 20 IKED CCn1c(O)nc2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cc21 1464146351 YDTMIYXTKNGDRH-LJQANCHMSA-N 430.895 5.323 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2c(O)n[nH]c2-c2ccccc2)cc1Cl 1624926431 MWWPMTBQJMGLNC-UHFFFAOYSA-N 430.851 5.352 30 20 IKED C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1nccs1 1760378173 AUHDHNKGQVKKGT-UHFFFAOYSA-N 431.993 5.000 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(Cl)ccnc4c3)CCC2)cc1 1785936797 WZZRJKSLZXRVPM-UHFFFAOYSA-N 446.938 5.186 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)COc3cccc(Cl)c3)cc2)CCC1 1785993545 BSGWUGGUUFPCJB-UHFFFAOYSA-N 438.955 5.047 30 20 IKED Cn1c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4)CCC3)cc2)cc2ccccc21 1788886288 POKYKQIVNRFEMV-UHFFFAOYSA-N 448.526 5.111 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cccc4ncsc34)CCC2)cc1)C(F)(F)F 1791303392 VSXMGACOKZZPGJ-UHFFFAOYSA-N 445.466 5.163 30 20 IKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)c(Cl)cc3F)CCC2)cc1 1791580771 JBOHWBCNVOIVQT-LLVKDONJSA-N 441.355 5.199 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2c(C)cc(C)cc2C)[C@H]1c1cccnc1 1813783267 GQKUAAMKBOIBBS-AZGAKELHSA-N 445.607 5.095 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3nc(C)ccc3o2)n[nH]1 1817690398 QHZRYYFFVLCSDX-LJQANCHMSA-N 449.555 5.158 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc(-c3ccccc3)s2)[nH]n1 1821922541 MLQAWIDKPPSTIM-VQIMIIECSA-N 449.580 5.051 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(C)ccc23)[nH]n1 1821927957 RIRZQXJGBQXWQI-WMUDEYSISA-N 445.567 5.117 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cc(C)ccc2C)n[nH]1 1822048993 JXHOCWJOXHNGMF-JTHBVZDNSA-N 434.584 5.030 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)c(F)c2C)CC1 1828829298 GSABBZFCYVBAJR-NFBKMPQASA-N 444.566 5.275 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2onc3ccccc23)CC1 1829068753 OWIBCIFMFPMSGU-QFIPXVFZSA-N 437.584 5.054 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1 1831444179 KJZQTGOXENCYEL-VXKWHMMOSA-N 432.555 5.011 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)n(C)c1C)=C(/S)Nc1ccccc1Cl 10826852 CDZWSWKVEUJGHL-UHFFFAOYSA-O 426.993 5.196 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(\S)Nc2ccc(C)c(C)c2)[n+]2ccc(N(C)C)cc2)c1 11162541 ADVRFJXRMBYGDT-UHFFFAOYSA-O 432.613 5.325 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cccc(Cl)c2C)cc1 11258299 CZLDGJJQTORERV-UHFFFAOYSA-O 445.942 5.827 30 20 IKED Cc1ccccc1NC(=O)c1cc2ccccc2cc1OS(=O)(=O)c1ccccc1C#N 15331461 WBIPVCWNWDUYMB-UHFFFAOYSA-N 442.496 5.040 30 20 IKED CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccccc3SCC#N)o2)cc1 22250773 MQPLPDCGFUYXQQ-UHFFFAOYSA-N 438.578 5.381 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 63401277 JRYHEPSUBXFSAB-UHFFFAOYSA-N 438.575 5.185 30 20 IKED C=CCN(C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1)c1nc(-c2ccccc2)cs1 97546319 AONMDLZFQIWFPR-UHFFFAOYSA-N 447.541 5.495 30 20 IKED N#CCCn1cc(C(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)c2ccccc21 255926128 JRUCCJPOQHRJQY-UHFFFAOYSA-N 426.447 5.187 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(Br)o3)cc2Cl)c1 303178477 KJFFKMYOXVUOQC-UHFFFAOYSA-N 431.673 5.398 30 20 IKED CCc1c(C)sc2nc(S[C@H](C)c3ccc(C#N)cc3)n(C[C@@H]3CCCO3)c(=O)c12 303680197 IVAYVFLUFUVQGX-KDOFPFPSSA-N 439.606 5.233 30 20 IKED C=CCCc1ccccc1NC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1 410363364 FRPCWBWHIBHYCI-DENIHFKCSA-N 430.470 5.372 30 20 IKED C[C@@H](c1ccccc1C(F)(F)F)[C@@H](C)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 428800396 CSEJBOOCDMMZIU-IAGOWNOFSA-N 440.469 5.405 30 20 IKED CC(C)(c1ccc(NC(=O)C(=O)Nc2ccc(F)cc2C(F)(F)F)cc1)C(F)(F)F 429958208 MRGBTZWAEARPTM-UHFFFAOYSA-N 436.327 5.262 30 20 IKED CCn1ccnc1[C@@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 430902328 YYQXVMWFNKGOLM-CYFREDJKSA-N 427.552 5.439 30 20 IKED Cn1cc(Nc2cccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c2)cn1 432463547 KSMCUKBLUJBJIZ-UHFFFAOYSA-N 437.503 5.061 30 20 IKED Cc1cccc([C@@H]2CCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1C 437889597 NZKFCMPXWFBYAZ-VWLOTQADSA-N 438.531 5.796 30 20 IKED CN1CCC[C@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)[C@H]1c1cccs1 438058517 MACGPGDVLLYGSY-DVECYGJZSA-N 446.576 5.617 30 20 IKED C[C@H]1CCC[C@H](OCc2cccc(NC(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)c2)C1 438715449 GIYHZFYHPFJCCW-MBSDFSHPSA-N 433.552 5.160 30 20 IKED CSc1cccc(NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1C 439523582 KXKKGGUDJAXPME-UHFFFAOYSA-N 445.544 5.053 30 20 IKED N#CCC[C@H](NC(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)c1ccccc1 439672140 JDTKHTZMLLUENL-QFIPXVFZSA-N 426.451 5.318 30 20 IKED N#Cc1ccc(CN(Cc2cc(-c3cccs3)on2)c2ccc3nc(O)[nH]c3c2)cc1 440727088 BYBKNHAHZIFWRR-UHFFFAOYSA-N 427.489 5.063 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(COCC(F)(F)F)c1 442190692 FJOHGYJOZHTTTQ-HNNXBMFYSA-N 437.487 5.339 30 20 IKED Cc1c(CN2CCSCC2)cccc1NC(=O)c1cn(CCCC#N)c2ccccc12 444142103 JYKJMVOLULXGOB-UHFFFAOYSA-N 432.593 5.055 30 20 IKED CCCc1c(NC(=O)c2cn(CCCC#N)c3ccccc23)cnn1-c1ccc(C)cc1 444280434 JGAOHVQRDPHKPA-UHFFFAOYSA-N 425.536 5.644 30 20 IKED Cc1cc(C)c(-c2csc(NC(=O)Cc3noc(C4(C#N)CCCCC4)n3)n2)cc1C 445417587 KOAXWEYFGBTSOY-UHFFFAOYSA-N 435.553 5.025 30 20 IKED N#Cc1ccc(-c2nnc(N3CCC[C@H]3c3ccccc3Cl)n2C[C@@H]2CCCCO2)cc1 461737788 XDOFIBXPPPEBKM-REWPJTCUSA-N 447.970 5.381 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3Cc4ccc(O)cc4C4(CC4)C3)cc2Cl)cc1 463498906 GLBGNKPSSSLFIX-UHFFFAOYSA-N 445.906 5.789 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)[C@@H](C)Oc1ccccc1C#N 464238237 BAFAPMFHYULOKM-MRXNPFEDSA-N 433.895 5.178 30 20 IKED Cc1ccc2[nH]cc(CCC(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)c2c1 467981486 RFCVCSOKDXRABF-UHFFFAOYSA-N 433.562 5.063 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)Cc3cc4c(ccc5ccccc54)o3)ccc21 469975250 SACDUVLYJQDOSN-UHFFFAOYSA-N 437.499 5.350 30 20 IKED Cc1cccc(CN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)Cc2ccccn2)c1 471177146 LYRJLDMQJJJPLG-NRFANRHFSA-N 444.604 5.283 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)c1 473628318 WJHMTRLAMBLLGA-UHFFFAOYSA-N 438.308 5.571 30 20 IKED Cc1cc(C(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)n1 474274292 NIAXNWHYHVKTFV-LBPRGKRZSA-N 445.285 5.246 30 20 IKED C[C@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)c2ccccc2N(Cc2ccccc2)C1=O 476263713 SIMZFHKTDGQLPC-FQEVSTJZSA-N 437.543 5.317 30 20 IKED COc1cc([C@H](C)NCc2ccc(C#N)cc2Br)ccc1OC1CCCC1 481330051 KUQCKOYBFOVLEQ-HNNXBMFYSA-N 429.358 5.502 30 20 IKED C=CCn1c(SCC(=O)N2CCc3sccc3[C@H]2CC)nnc1-c1ccc(C)cc1 481339420 LVDGFYOMVPSCTF-LJQANCHMSA-N 438.622 5.129 30 20 IKED N#Cc1c(CSc2nnc(-c3ccc(F)cc3)n2Cc2ccco2)cn2ccccc12 481401865 LPMAUWJWJOQUSW-UHFFFAOYSA-N 429.480 5.142 30 20 IKED CC(C)(C#N)CNC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 481452146 ZOKRLUOAVVXXBT-NSHDSACASA-N 435.290 5.177 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)Cc1c[nH]c2cc(Br)ccc12 481792297 FBVVZHQZEIKWDA-CYBMUJFWSA-N 428.355 5.363 30 20 IKED C[C@H](Nc1ccc(C(=O)[C@@H](C#N)c2nccc3ccccc23)cc1[N+](=O)[O-])c1ccccn1 483230332 PSIPUYOZTIONJI-JXFKEZNVSA-N 437.459 5.201 30 20 IKED CC[C@@H](C)n1ncc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C 485097795 XYXABXDKVKZOQQ-QRWLVFNGSA-N 449.942 5.049 30 20 IKED Cc1cc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)ccc1Oc1ccncc1 487714776 MCKMXJKUFYIUGJ-UHFFFAOYSA-N 425.444 5.478 30 20 IKED O=C(CN[C@@H](c1ccc(F)cc1)C(F)(F)F)Nc1c(Cl)cccc1C(F)(F)F 488196215 MMEVWVIOMNMTGD-HNNXBMFYSA-N 428.735 5.330 30 20 IKED Cc1c(C(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)sc2ccc(C#N)cc12 493919891 KWUGVBNJTGIAAG-KKSFZXQISA-N 441.959 5.297 30 20 IKED CCCN(C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)[C@H](CC)c1ccccc1 501499027 CGWARKYYISSILK-OAQYLSRUSA-N 432.549 5.010 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)CSc1nnc(-c2ccccc2)n1[C@H](C)CC 504584273 GZDKXDABFMGJRU-LJQANCHMSA-N 445.592 5.095 30 20 IKED CCN(C(=O)CCc1ccc(C#N)cc1)[C@@H]1CCSc2ccc(Br)cc21 504592155 JXMRAOLJXVYVKT-LJQANCHMSA-N 429.383 5.339 30 20 IKED Cc1nc(CSc2ccc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)cc2)cs1 505911860 HKGRPAPGLLVQSW-LJQANCHMSA-N 447.507 5.757 30 20 IKED Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 508203084 KTUVUEBCUDSLSQ-UHFFFAOYSA-N 448.426 5.001 30 20 IKED C=CCn1c(SCc2ncnn2C(C)(C)C)nc2scc(-c3cccs3)c2c1=O 508984849 OMPXXPTWJJYNPG-UHFFFAOYSA-N 443.623 5.011 30 20 IKED CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)C1(c2cc(F)cc(C#N)c2)CC1 509186689 VADMMQAGZUGTTN-UHFFFAOYSA-N 431.511 5.255 30 20 IKED N#CCc1cccc(C(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 510309436 GCNUXKRGKFLDHW-UHFFFAOYSA-N 438.409 5.668 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nc2ccccc2n1C(F)F 510501867 MCCNSPQMJJBSCP-OAHLLOKOSA-N 447.445 5.978 30 20 IKED CCCN(CC)C(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 511764675 HVNGSZBRMCAPMU-OAQYLSRUSA-N 442.544 5.044 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(OCC(F)(F)C(F)F)nc1 511840607 DENPBVLUPMKELT-UHFFFAOYSA-N 435.402 5.213 30 20 IKED COc1cc(F)c([C@@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC 512561469 WWRMGIFLUIWZHI-OAHLLOKOSA-N 435.455 5.390 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)n1 513665236 CFDVXJBDJURYIZ-HNNXBMFYSA-N 426.954 5.363 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)[C@@H](Sc2ccc(F)cc2F)c2ccccc2)cc1 517980545 AWZVZZLNYOZLAT-QFIPXVFZSA-N 438.499 5.353 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 518140013 MYCRRKKANJYHOR-ZDUSSCGKSA-N 427.982 6.276 30 20 IKED N#Cc1c(NC(=O)CCN2CCC[C@H]2c2cccc(Br)c2)sc2c1CCC2 522007929 JEQWGPZHLDOWTD-SFHVURJKSA-N 444.398 5.037 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2nc(C(F)(F)F)cs2)cc1 524876226 PHQIZDVFGNTFQI-UHFFFAOYSA-N 433.480 5.256 30 20 IKED CCCn1c(SCc2nnc(-c3ccc(C#N)cc3)o2)nnc1-c1ccc(Cl)cc1 525111454 YULRWTGOTOEHME-UHFFFAOYSA-N 436.928 5.222 30 20 IKED C=C(C)COc1cc(CNc2ccccc2CN(C)C(=O)c2cccs2)ccc1OC 533216718 FMZJOTIENQRXIM-UHFFFAOYSA-N 436.577 5.596 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccc([S@@](C)=O)cc1 533772614 WXXQCMUZBSNMBE-PBNKOMEISA-N 437.496 5.110 30 20 IKED CCn1c(SCC(=O)Nc2cc(C(C)(C)C)sc2C#N)nnc1-c1cccc(C)c1 536971658 XBPWOGAHBVBQOZ-UHFFFAOYSA-N 439.610 5.235 30 20 IKED N#CC1(CCCSc2nnc(COc3ccc(Cl)cc3Cl)o2)CCOCC1 537467109 KPWGUPGXFUUMLK-UHFFFAOYSA-N 428.341 5.148 30 20 IKED C=CCOc1c(Br)cc(CN[C@H](c2ccccc2)[C@@H]2CCOC2)cc1OCC 538967699 BQEZLFYRMAWRGA-DENIHFKCSA-N 446.385 5.280 30 20 IKED CCN(C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1ccc(C#N)c(Cl)c1 540273964 VRNUKOPTUHSQPN-UHFFFAOYSA-N 447.709 5.767 30 20 IKED Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 542315295 DOFYKUNIYONXKR-UHFFFAOYSA-N 436.471 5.839 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 543351369 IUZBWLFITPOVPO-BTYIYWSLSA-N 447.457 5.217 30 20 IKED C[C@@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc([N+](=O)[O-])cc1F 544435080 KCWRGCLTXFOLLR-MRXNPFEDSA-N 433.439 5.121 30 20 IKED CC(C)(C)c1csc(NC(=O)C(=O)Nc2cccc(COC3CCCCC3)c2)c1C#N 550717506 IRHAEQMDTZZOMQ-UHFFFAOYSA-N 439.581 5.344 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@](F)(c3cccc(Cl)c3)C2)cc1 554859183 HARWWNATCHKDAM-DEOSSOPVSA-N 441.934 5.257 30 20 IKED C=CCC(C)(C)C(=O)N1CCC(CCCC2CCN(C(=O)C(C)(C)CC=C)CC2)CC1 568906577 UBUDGZFLILHFBT-UHFFFAOYSA-N 430.677 5.839 30 20 IKED COc1cc(OC)c(OC)cc1NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 574433281 VSQHSUXAEAGKQV-INIZCTEOSA-N 431.492 5.134 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3ccc(C#N)c(Cl)c3)C2)n1 575039486 NRWMZWFFFNMQRZ-QGZVFWFLSA-N 437.952 5.364 30 20 IKED CCCOc1ccccc1Oc1ncccc1CNCc1ccc(C#N)cc1C(F)(F)F 576745618 RLVYATJMLWIWDE-UHFFFAOYSA-N 441.453 5.843 30 20 IKED Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 578385969 JNLYCOVDFYZYLL-WOJBJXKFSA-N 437.609 5.574 30 20 IKED Cc1cc(-c2cc(C(=O)N[C@](C)(C#N)C3CCCCC3)c3cnn(C(C)C)c3n2)c(C)o1 581210363 IGMSGNWZCXDKBS-RUZDIDTESA-N 433.556 5.481 30 20 IKED O=C(c1csc(Cc2ccc(F)cc2)n1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 588793024 WKGNSHQNRXUCAU-TXEJJXNPSA-N 440.384 5.076 30 20 IKED CCCOc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)cs2)cc1 592973283 BUJJVOQJGAHOOF-INIZCTEOSA-N 437.521 5.838 30 20 IKED CC(C)Oc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)cs2)cc1 592974604 VEHKOWKBETWMNA-MRXNPFEDSA-N 437.521 5.836 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc(C)c1OCc1cccnc1 603627400 FUJXDBFESDGQFJ-LJQANCHMSA-N 431.492 5.516 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1SCc1ccco1 603739106 RAIIKQWGLTZRAM-UHFFFAOYSA-N 441.512 6.192 30 20 IKED Cc1ccc(Nc2cccc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2)nn1 606145741 KELMDBGENKNPRN-INIZCTEOSA-N 447.470 5.420 30 20 IKED N#C[C@@H](C(=O)c1csc(Nc2ccccn2)n1)c1nc(-c2ccc(Cl)cc2)cs1 606146824 QAXXAKKVUQYVLC-AWEZNQCLSA-N 437.937 5.549 30 20 IKED Cc1cc(N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2cc(OC(F)F)ccc2n1 607144010 WVCSZBSOVFSPAB-GHMZBOCLSA-N 428.323 5.712 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)s2)o1 607439080 SCTBUSWIVXNMSL-LLVKDONJSA-N 425.988 5.208 30 20 IKED Cc1c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cccc1OCC(F)(F)F 609022141 FSHGKCCACMVIQL-UHFFFAOYSA-N 440.421 5.639 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@@H](c4cc5ccccc5[nH]4)C3)o2)cc1 609070616 FTDPZVYINVSSEY-HXUWFJFHSA-N 425.488 5.231 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@@H](C)c1ccccc1Cl 609079222 PKLGUUVRUNMPDP-SFHVURJKSA-N 433.939 6.324 30 20 IKED C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609175943 QGCHOYWNURSGHB-INIZCTEOSA-N 449.507 5.189 30 20 IKED CCCN(C(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1cc(Cl)ccc1C#N 609285812 FXXXLAWRHVFLIC-UHFFFAOYSA-N 429.307 5.291 30 20 IKED C[C@H](C#N)CSc1ccccc1NCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 609384698 IVAUHVWNNXBUAP-MRXNPFEDSA-N 439.968 5.580 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1C(F)(F)F 609542188 SYPZBKTWSARXIS-UHFFFAOYSA-N 448.441 5.420 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCS[C@H](c3ccccc3)C2)cc1C 609795140 RIYNWOKLVFJETD-QHCPKHFHSA-N 430.577 5.011 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 610095259 MEOJVXSVRACIRN-WBVHZDCISA-N 428.533 5.455 30 20 IKED N#Cc1cccc(-c2nnc(COc3ccc(-c4ccc(Br)cc4)cc3)o2)c1 610218948 HSJJPMUBYYPBOO-UHFFFAOYSA-N 432.277 5.617 30 20 IKED CCN(CC)[C@@H](CNC(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 610401236 MCTLBWVEZZTZDS-KKSFZXQISA-N 432.490 5.020 30 20 IKED Cc1c(C#N)c(NC(=O)CCN[C@H](CC2CC2)c2ccccc2)n(Cc2ccco2)c1C 611395464 CHFMWBCNNGQOTH-XMMPIXPASA-N 430.552 5.078 30 20 IKED COc1ccc(CNc2nnc(SCc3ccc(C#N)cc3Br)s2)cc1 611491793 LQJPHUVSIOCXQK-UHFFFAOYSA-N 447.383 5.085 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)cc1 615001810 KQXVACLZJIQVAA-UHFFFAOYSA-N 438.858 5.742 30 20 IKED O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618450058 KVSZPELGTCKVBR-RKVPGOIHSA-N 448.382 5.568 30 20 IKED COc1ccccc1COc1cccc(NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)c1C 618762903 SSYIIYAYHJKBFD-HSZRJFAPSA-N 427.504 5.263 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 618783640 IDZFMQQZYPKRJQ-VBKZILBWSA-N 437.952 5.292 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(C(F)(F)F)c(O)c2)cc1 619581760 XWBSALJDTXXBCU-UHFFFAOYSA-N 426.394 5.308 30 20 IKED C=CCOc1c(Br)cc(CNCc2ccc(C#N)c(Cl)c2)cc1OCC 619748343 AZJCGMZWELFVGK-UHFFFAOYSA-N 435.749 5.227 30 20 IKED C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC#N)CC2)n1CCc1ccccc1 619822884 YMZLIXXJLVEGAX-IBGZPJMESA-N 449.986 5.444 30 20 IKED N#C[C@@H](C(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1nc(-c2ccc(Cl)cc2)cs1 642281739 HQUFFBYRNDNSHZ-PMACEKPBSA-N 438.936 5.511 30 20 IKED Cc1cc(F)ccc1-n1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)n1 679980377 XDDYGNVSXASLTH-AWEZNQCLSA-N 444.413 5.438 30 20 IKED O=C(N[C@H](C1CCCCC1)C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 681495058 FSPCUHTXHCLETG-SDDRHHMPSA-N 428.339 5.270 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1 725722769 XBXDNFQXLHXBID-UHFFFAOYSA-N 438.487 5.414 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1cccnc1Cl 728062835 VZHOSBJBFJWXHF-AWEZNQCLSA-N 441.318 5.278 30 20 IKED Cc1cc(COc2ccc(/C=C/C(=O)c3sccc3Br)cc2)oc1C(=O)O 729936595 DMODMZJRIZLJRX-QPJJXVBHSA-N 447.306 5.585 30 20 IKED N#C[C@@H](C(=O)CCCCc1ccc(Br)cc1)c1nc2cc(F)ccc2s1 730421757 OPVRNRLCDHCPIV-INIZCTEOSA-N 431.330 5.787 30 20 IKED Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 731066612 YGYZWDLQIGARBX-LJQANCHMSA-N 447.560 5.284 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@@H](O)c1ccc(F)cc1 732419877 KMHHNMMKPRXUCZ-VSUDMRMVSA-N 437.902 5.378 30 20 IKED Fc1ccc(C(F)(F)F)cc1C=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1 733204154 JUBLWSMFLQMSHU-UHFFFAOYSA-N 429.299 5.161 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c1 733805720 DMADRWAVKPCZAD-LAUBAEHRSA-N 432.351 5.721 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Sc3ccc(OC)cc3)cc2)c1 733844347 JOSNZRHWECQEBQ-HXUWFJFHSA-N 447.560 5.849 30 20 IKED CCN(CC)C(=O)c1ccccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 735005397 ORXNRNKXBHSIAI-UHFFFAOYSA-N 447.922 5.738 30 20 IKED CC(C)(C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc([N+](=O)[O-])cc1 740539840 VRXBRJDNHQZEKA-CQSZACIVSA-N 427.432 5.151 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)cc1 741429839 HCIGWPDGFBEFTO-JOCHJYFZSA-N 440.503 5.163 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)cc1 741431877 UNGOJYIACAVBIA-VAMGGRTRSA-N 444.453 5.379 30 20 IKED Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2SCCC(C)(C)C#N)cc1 741447628 UVWSDUHUYFEWRH-XDHOZWIPSA-N 433.533 5.141 30 20 IKED COC(=O)C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c2ccccc21 741585628 HKMGVTCYZNMMLY-GOSISDBHSA-N 446.890 5.311 30 20 IKED Cc1onc(-c2ccccc2Cl)c1C(=O)O[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 744495864 RVTKDEUIEJSTOE-GFCCVEGCSA-N 444.274 5.013 30 20 IKED CC(=O)CCc1ccc(O[C@H](C)C(=O)OCc2ccc(-c3ccccc3C#N)cc2)cc1 745218114 CFJZUEQQBAGMEP-HXUWFJFHSA-N 427.500 5.258 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)cc1OC 746010894 NOFXYWVREHNADT-RBPYYZBISA-N 445.563 5.568 30 20 IKED C[C@@H](c1ccccc1)N(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)Cc1ccccc1 746101807 RXSYZTQCZXSOTB-RDPSFJRHSA-N 432.527 5.487 30 20 IKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 746659519 KIJMWWPNGONVQO-GAJHUEQPSA-N 437.465 6.586 30 20 IKED N#C[C@H](C(=O)CSCc1ccc(Br)cc1F)c1nc2ccccc2s1 748006558 JERZIZLTLNPXFH-CYBMUJFWSA-N 435.343 5.308 30 20 IKED CC[C@@H](C)n1c(SCC(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1ccccc1 749750447 CSFJMZZLJDHZGA-LJQANCHMSA-N 433.581 5.264 30 20 IKED CC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H](O)c1c(F)cccc1F 752637112 ORPDSFLILHDWHI-APTRMMRNSA-N 435.474 5.254 30 20 IKED O=C(COc1ccc(C(=O)/C=C\c2cnc(-c3ccccn3)s2)cc1)Nc1ccccc1 753140447 BBOITWBUYTXSIJ-YPKPFQOOSA-N 441.512 5.119 30 20 IKED COc1ccc(/C=C(\C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1F 755612231 NGLGJRAWHRVCPB-JZUUQJBKSA-N 426.900 5.891 30 20 IKED CC(C)(C)c1ccc(OCc2nnc(S)n2N=Cc2cc(F)cc3cccnc23)cc1 760234387 QPVUNNZWYYFTGC-UHFFFAOYSA-N 435.528 5.013 30 20 IKED Cc1ccccc1COc1cccc(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c1 761859792 YIQZQOVWBLMQHT-RUZDIDTESA-N 427.504 5.051 30 20 IKED N#C[C@H](C(=O)Cc1cccc(OCCCOc2ccccc2)c1)c1nc2ccccc2o1 766618137 SIMJBSYQVVUFDO-JOCHJYFZSA-N 426.472 5.095 30 20 IKED C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1 766624089 ZEYNJUWUFMPDEM-MGPLVRAMSA-N 440.124 5.207 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)C[C@H](O)c3cc(Cl)cc(Cl)c3)cc2)ccn1 773470596 KHLDOVGPGVKZTJ-FQEVSTJZSA-N 428.275 5.115 30 20 IKED N#CCc1ccc(OCc2cccc(NS(=O)(=O)c3cccc(C(F)F)c3)c2)cc1 780374143 MELYXDYLKVVCBB-UHFFFAOYSA-N 428.460 5.070 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)Nc1cccc(COc2ccccc2)c1 783495881 YEADYHDDDPQJDZ-SFHVURJKSA-N 445.544 5.095 30 20 IKED COc1ccc(C(=O)CCCCCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 789348224 RZZMDGLQGQYFPQ-SFHVURJKSA-N 440.952 5.968 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)nc1 791573320 ILMHUIHSOWHNPY-UHFFFAOYSA-N 444.491 5.274 30 20 IKED C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 806272251 DBBRSMSIJRBMIU-HXUWFJFHSA-N 431.923 5.348 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@](C)(c3ccccc3)CC2)ccc1OC 806807000 SPEUWXYOEVPYMN-NVQXNPDNSA-N 435.568 5.030 30 20 IKED C[C@H](CC(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)c1ccc(F)c(Br)c1 813212872 GYIRGMSYYYVJHK-ZWNOBZJWSA-N 429.211 5.372 30 20 IKED CC(C)(C)OC(=O)N1CCc2c(cccc2NCc2cc(C#N)ccc2Br)C1 864011664 PODWAUNVLXRAAV-UHFFFAOYSA-N 442.357 5.226 30 20 IKED O=c1c2cc(Br)ccc2ncn1N=Cc1ccc(-c2ccccc2Cl)s1 874103695 MMICLAYCEVHZDZ-UHFFFAOYSA-N 444.741 5.423 30 20 IKED Cc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915351864 COMHQRDMSYRROJ-QHCPKHFHSA-N 426.520 5.061 30 20 IKED CCN(CC)[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 915353724 WPQQCNYPSZWYNE-UIOOFZCWSA-N 426.564 5.547 30 20 IKED O=C(COc1ccc(C(=O)/C=C\c2cc([N+](=O)[O-])ccc2Cl)cc1)Nc1ccccc1 916127823 JUPVPLFXBYNCKY-JYRVWZFOSA-N 436.851 5.162 30 20 IKED CC1=CC(=O)[C@H](C(=O)/C=C\c2ccc(Oc3cc(C)ccc3C(C)C)c([N+](=O)[O-])c2)C(=O)O1 916136920 FOMWUJQTQIYVAX-MUGCXESLSA-N 449.459 5.047 30 20 IKED CCCCOc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1OC 916928051 TZTIFJOORGNRAE-OAHLLOKOSA-N 435.307 5.142 30 20 IKED Cc1cc(=O)oc2cc(OC(=O)c3ccc(COc4ccccc4C#N)o3)c(Cl)cc12 917020199 FOZUTPFZORDHDP-UHFFFAOYSA-N 435.819 5.018 30 20 IKED CCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cc(C)c(C)cc2C)cc1 917612740 FGBDGCRXMFNSGL-UHFFFAOYSA-O 428.581 5.657 30 20 IKED CC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc2c(c1)OCCO2 918034281 MOTALSHELWGSLP-GOTSBHOMSA-N 427.504 5.386 30 20 IKED N#C[C@@H](C(=O)Cn1ccc2ccc(Cl)cc21)C(=O)Nc1ccccc1Oc1ccccc1 920109372 QJJPOSUBUVFRNB-FQEVSTJZSA-N 443.890 5.435 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)CCCC(=O)Nc3ccccc3)cc2)CCC1 1786110819 BIQGGQASACCULF-FQEVSTJZSA-N 447.579 5.142 30 20 IKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCC[C@@H]5CCCC[C@H]54)CCC3)cc2)c1 1790146112 DVZCFPVADCRQMP-WWPVKYPJSA-N 444.579 5.241 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1cccc(F)c1 1796496137 LZLJTJYPHSHXAC-KOUNCHBCSA-N 449.570 5.132 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)C2 1798592701 DJAPQSUOQVXVIH-LILSUDLASA-N 429.004 5.074 30 20 IKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccc(C)cc2)CCCCC1 1802627467 HNFKTMGAFGLAAE-QEIWAGNOSA-N 434.624 5.029 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3[nH]c(C)cc3c2)[nH]n1 1814828295 FLSFLHCZFVMPCE-HSZRJFAPSA-N 445.567 5.274 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3cccnc23)n[nH]1 1818482463 JIBQQYJUEWDROO-UGKGYDQZSA-N 443.551 5.032 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccccc3o2)[nH]n1 1819554629 LGSHUQQICUKNAO-LJQANCHMSA-N 434.540 5.454 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cnccc3c2)CC1 1824142078 FOIXSCQPGCSUIQ-AREMUKBSSA-N 445.607 5.237 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3cc(C)[nH]c23)CC1 1828208849 GQVVTONILVYCPK-ILBGXUMGSA-N 447.623 5.478 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3occc3c2)CC1 1828256259 CXTSBWYHFIFJTK-HSZRJFAPSA-N 436.596 5.659 30 20 IKED COc1ccc(NC(=O)[C@@H](Sc2nc(C)nc(C)c2C#N)c2ccccc2)cc1Cl 25456167 BTXKWKPFWRMCPQ-FQEVSTJZSA-N 438.940 5.099 30 20 IKED C[C@H](OC(=O)/C=C/c1ccccc1C#N)C(=O)N1c2ccccc2Sc2ccccc21 28512215 KKIZKUYYASJYRC-ZWKQNVPVSA-N 426.497 5.333 30 20 IKED C=CCn1c(SCc2ccc(C(F)(F)F)cc2)nnc1[C@H]1COc2ccccc2O1 30024972 WCNYHSRUIULYAM-GOSISDBHSA-N 433.455 5.288 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nc2sccc2c1=O 36800024 PIZYMJJPMMNVAX-JTQLQIEISA-N 440.377 5.070 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccccc4OC)n3)n2)cc1 60771284 JVQLSVCGGTWFRM-KRWDZBQOSA-N 447.541 5.441 30 20 IKED Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)N3CCC(C#N)CC3)cc12 61585299 WHZGRMMJMBBEMY-UHFFFAOYSA-N 433.364 5.137 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC3(c4ccc(Cl)cc4)CCOCC3)cc2)cc1 78612846 VIDQWOUWMGMOCC-UHFFFAOYSA-N 447.922 5.831 30 20 IKED Cc1ccc(-c2csc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)n2)cc1C 110933304 ONAJBZDXTKVEAC-UHFFFAOYSA-N 432.549 5.093 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C 217207526 OOOBVURRAOIZRD-UHFFFAOYSA-N 430.430 5.547 30 20 IKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccccc3SC[C@H](C)C#N)C2)c1 303314744 RXXCKHFRYLXBCU-MOPGFXCFSA-N 436.581 5.129 30 20 IKED Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccccc2SC[C@H](C)C#N)c1 303346495 ZRMVQEAYOTUPQI-GOSISDBHSA-N 436.606 5.472 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)[C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)n2)c1 409862336 OFTRTRARHZCJDI-BEFAXECRSA-N 427.888 5.191 30 20 IKED CC(C)(C(=O)N[C@H](C#N)c1cccc(Br)c1)c1csc(-c2cccs2)n1 409991248 FYPKRUBAOIYDKJ-CQSZACIVSA-N 446.395 5.293 30 20 IKED CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cccc(SCC#N)c3)cc2)cc1 429928705 VFSPNVBQBLEIAW-UHFFFAOYSA-N 431.517 5.206 30 20 IKED Cc1ccc(SCC(F)(F)F)c(NC(=O)CCCC(=O)Nc2ccccc2C#N)c1 432322007 XHVSWEQCKCFVBI-UHFFFAOYSA-N 435.471 5.269 30 20 IKED C=CCN(CCc1ccco1)C(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 433668552 CFPOEBKNJLZCOY-UHFFFAOYSA-N 433.295 5.431 30 20 IKED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1 436252966 KTIZFHPQWYLMSG-KKSFZXQISA-N 432.467 5.066 30 20 IKED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(C)c(Oc2ncccc2Br)c1 436418868 YGFOCIYPEXHJLM-BEFAXECRSA-N 446.345 5.048 30 20 IKED Cc1cccc([C@@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1C 437759421 OTZUOSFTQYIUCU-MHZLTWQESA-N 439.559 6.318 30 20 IKED Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 438922645 VAYNAZXBYUIKTF-UHFFFAOYSA-N 425.488 5.051 30 20 IKED CSc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1Cl 439326451 TZJLYQDLLAWLFQ-UHFFFAOYSA-N 437.908 5.303 30 20 IKED N#Cc1ccc(CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c(OC(F)F)c1 439535146 GPCKWSNEHRACEI-UHFFFAOYSA-N 437.475 5.527 30 20 IKED C[C@@H](Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 439598309 RSYIBYGNDWBHFB-QGZVFWFLSA-N 448.454 5.273 30 20 IKED Cc1ccc2nc(-c3ccc(NC(=O)CN(C#N)c4ccc(F)c(C#N)c4)cc3)sc2c1 439707784 MXAMCDLSUHVWCL-UHFFFAOYSA-N 441.491 5.209 30 20 IKED CCCc1c(NC(=O)c2cc(C)sc2Br)cnn1-c1cccc(C#N)c1 440104414 PVMQDMUKIOWDCU-UHFFFAOYSA-N 429.343 5.081 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(N3CCC3=O)c2)cc1Cl 440940127 WYWUKWUNZZYELW-JOCHJYFZSA-N 444.922 5.054 30 20 IKED Cc1c([C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C(C)C)oc2ccccc12 441901628 OOPDAUISYZKJLJ-IBGZPJMESA-N 443.425 5.084 30 20 IKED Cc1nc(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2)cs1 442509653 NNQKVAYSLNNKTJ-IBGZPJMESA-N 426.526 5.604 30 20 IKED CN(CC(C)(C)C)C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c1 442671042 KJRDZYWBLBXCOA-HXUWFJFHSA-N 431.561 5.418 30 20 IKED Cc1nc(-c2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2)cs1 442693016 OGSPIAZDULMPOU-GOSISDBHSA-N 435.961 6.386 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc2c(n1)CCCC2 444893654 GDVOQTDZQHQDNP-UHFFFAOYSA-N 426.520 5.041 30 20 IKED COc1ccc([C@H]2CCCCCN2C(=O)CNc2ccccc2S[C@H](C)CC#N)cc1 446632241 SGZFSKILCVNZOT-AUSIDOKSSA-N 437.609 5.645 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446636031 DRMHDOZMYYKGBP-VMEOHVCESA-N 446.473 5.065 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)c2cc(-c3cccc(C#N)c3)no2)cc1 468837760 DIMUZOFFABSFFV-SFHVURJKSA-N 437.499 5.722 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)CCCOc3cccc4ccccc34)ccc21 469970505 BUMWKMQKNNKDMH-UHFFFAOYSA-N 441.531 5.220 30 20 IKED C[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C1(c2ccccc2)CCCC1 470536287 DDHPSGMYABRNSF-HXUWFJFHSA-N 444.579 5.292 30 20 IKED Cc1ccc([C@H](NCc2nnc(-c3ccc(C#N)cc3)o2)c2ccc(F)cc2Cl)cc1 471680632 VETRQHLXGMJQMF-QHCPKHFHSA-N 432.886 5.588 30 20 IKED C[C@@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1cccc(NC(=O)Cc2ccccc2F)c1 474906196 KPTTWFYLKGOXMZ-KNQAVFIVSA-N 443.522 5.272 30 20 IKED COC(=O)C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccc(F)cc1 475644935 AZXMDXSZBVKQCZ-HSZRJFAPSA-N 447.466 5.224 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(=O)n(Cc2csc(C(C)C)n2)c1 476121180 MVVKVQBSPPDNEA-UHFFFAOYSA-N 435.593 5.581 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 476805979 QLXQPHWCICBYNG-UHFFFAOYSA-N 448.588 5.900 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(CCN2CCCC[C@H]2C)CC1 478804780 JYOBLTDTIHFDGZ-UXHICEINSA-N 428.646 5.589 30 20 IKED C=C(C)[C@@H](NC(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1)c1ccc(F)c(F)c1 480134855 HTGXYSVCKZDMNE-OAQYLSRUSA-N 443.425 5.697 30 20 IKED C=CCSc1ccccc1C(=O)N1CCC(c2noc(-c3ccccc3OC)n2)CC1 481206788 WMMMBYSAXURXEQ-UHFFFAOYSA-N 435.549 5.043 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 481511926 QLPYZWLGGMWISH-UHFFFAOYSA-N 425.488 5.113 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H]3c3cccc(F)c3)cc2F)c1 481575629 ZJAUBVDSGIYIOP-QHCPKHFHSA-N 433.458 5.784 30 20 IKED Cc1ccnc(N2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)c1 483047484 GXKJMUIXXDDFCV-JOCHJYFZSA-N 445.954 5.053 30 20 IKED N#CCCN(C(=O)c1cc2ccccc2n1CC(F)(F)F)C12CC3CC(CC(C3)C1)C2 486113668 DCMRTFIXRPNNQH-UHFFFAOYSA-N 429.486 5.528 30 20 IKED C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N(CCC#N)c1ccc2c(c1)OCCO2 486212775 DYJSFXZYNSHIPF-CYBMUJFWSA-N 437.348 5.192 30 20 IKED Cc1cc(SC2CCCCC2)ccc1NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 498932911 JSUKHEYUIGCUMK-UHFFFAOYSA-N 435.597 5.041 30 20 IKED C[C@H](C#N)CN(C)C(=O)NC[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 503566530 YIWPBSFDBWFJFK-YKSBVNFPSA-N 436.559 5.768 30 20 IKED CC(C)Oc1ccc(-c2nc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cs2)cc1 503913264 XETLFBMIJNFPFK-UHFFFAOYSA-N 429.545 5.398 30 20 IKED N#C[C@H](NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1cccc(Cl)c1Cl 505308932 WIWOSKUDRWEFFT-HNNXBMFYSA-N 441.274 5.103 30 20 IKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)c3ccccc3n2)cc1 505329733 OLBKJELMWBZPIM-FQEVSTJZSA-N 447.416 5.814 30 20 IKED Cc1ccc(C2(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)CCOCC2)cc1 505352748 YRQIEFBWFUSJGY-AREMUKBSSA-N 440.543 5.003 30 20 IKED CC[C@@H](C)n1c(SCC(=O)N[C@H](C#N)c2ccc(Cl)cc2)nnc1-c1ccccc1 505837991 KRRUWLVEMIXYAN-DNVCBOLYSA-N 439.972 5.043 30 20 IKED COc1ccccc1-c1nnc(Sc2cccc(F)c2C#N)n1CCc1ccccc1 506868694 NXWGSVGWIBXXKZ-UHFFFAOYSA-N 430.508 5.358 30 20 IKED Cc1ccccc1OCCN(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509903547 BSXUSFSSQVUYEU-UHFFFAOYSA-N 429.520 5.183 30 20 IKED COc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 510004916 KYIGDMPVAPKJOH-HXUWFJFHSA-N 435.911 5.334 30 20 IKED CN(C)[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 510007561 YLLQWJSZRNUDOQ-ISKFKSNPSA-N 432.955 5.420 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1 510682529 OYRBLTPLZPSQPZ-DNQXCXABSA-N 431.467 5.531 30 20 IKED N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccc3ccccc23)c(C(F)(F)F)c1 511954127 IZRRCZUXYCKWKA-HXUWFJFHSA-N 430.451 5.256 30 20 IKED CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1 512192634 BCDSBUANDJSYIO-UHFFFAOYSA-N 433.895 5.391 30 20 IKED Cc1ccc(CN(Cc2ccco2)C(=O)NCC(C)(C)CCC#N)c(Br)c1 513108804 SKKZDCQPFQJROA-UHFFFAOYSA-N 432.362 5.392 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cccc(COc3ccccc3C#N)c2)cc1 513290213 WZJKTFFBNHINAP-UHFFFAOYSA-N 449.432 5.214 30 20 IKED CCc1cccc2c1OCC[C@@H]2NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 513984444 CKABJKKJNPZJGF-VWLOTQADSA-N 441.531 5.539 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 514536401 FOEIOALVICSOBD-KRWDZBQOSA-N 449.507 5.628 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(N4CCCC4)nc3)cc2Cl)cc1 515796639 ZLYKGIATBZQLGZ-UHFFFAOYSA-N 447.926 5.321 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(OCc2ccccn2)cc1 515903954 SBVFPQITILSSMQ-UHFFFAOYSA-N 427.957 5.273 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(Oc2cccc(C)c2)cc1 517275397 BBMASEYKAGRQDX-UHFFFAOYSA-N 427.504 5.036 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H](c3ccc(F)cc3)[C@@H]3CCCO3)cc2)c1 517530630 UKHLKVKLKYMDQL-ZEQRLZLVSA-N 431.467 5.531 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NCc3cccc(COc4ccccc4)c3)cc2)nc1 518373571 RQCFWQQIFZRAEM-UHFFFAOYSA-N 435.483 5.255 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3occc3CSc3ccccc3)n2)cc1 518515503 UQODVDSDPJBSTO-FQEVSTJZSA-N 446.553 6.194 30 20 IKED Cc1noc(CSc2ccccc2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)n1 518732078 ZTAPFEAHTCSJKB-UHFFFAOYSA-N 442.500 5.587 30 20 IKED CSc1nc(O)c(C(=O)N[C@@H](c2ccccc2)c2ccc3ccccc3c2)cc1C#N 518866950 RJRAKQQNRLJTRP-QFIPXVFZSA-N 425.513 5.053 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCc2ccc3c(c2)CC(=O)N3)cc1Cl 519106894 HQHBNBZMYZQAKX-JOCHJYFZSA-N 443.934 5.451 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CSCc3coc(-c4ccccc4)n3)cc2)cc1 519993499 RBFUQNCZMIWEJT-UHFFFAOYSA-N 441.512 5.877 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1[nH]c2ccc(Br)cc2c1Cl 520187848 IWSMGJANUQUUSC-LLVKDONJSA-N 448.773 6.230 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 520654693 RYLHJNGSGMGKEE-UHFFFAOYSA-N 435.568 5.112 30 20 IKED C[C@@H](Cc1ccc(Br)cc1)NC(=O)Nc1ccccc1SC[C@H](C)C#N 521747915 DIQOXEVGBDIBBN-CABCVRRESA-N 432.387 5.454 30 20 IKED C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 523419718 QPSGANDTOPUHTI-SFHVURJKSA-N 429.495 5.622 30 20 IKED Cc1ccc(C[C@H](C)N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 523420487 UKUPMJIDTUVHPH-IBGZPJMESA-N 426.520 5.214 30 20 IKED CCN(CCc1nccs1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 533132324 GIZOKBVVPLTBCZ-UHFFFAOYSA-N 426.929 5.557 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)nc(-c2ccc(Cl)cc2)n1 534698088 XGEVQWMCERYWCV-QGZVFWFLSA-N 431.908 5.114 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCc2nc3c(s2)CCCC3)cc1 534852690 KWVGOEVVYMWZFA-UHFFFAOYSA-N 433.602 5.158 30 20 IKED Cc1cc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)ccc1NC(=O)c1cccs1 536189405 ZYNZCVIPPGSSPQ-KRWDZBQOSA-N 444.343 5.610 30 20 IKED Cc1cc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)ccc1NC(=O)c1cccs1 536189406 ZYNZCVIPPGSSPQ-QGZVFWFLSA-N 444.343 5.610 30 20 IKED Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1ccccc1Oc1ccccc1C#N 537552937 CWBQMYAFIAEEFL-UHFFFAOYSA-N 427.504 5.896 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2cccnc2)Cc2ccco2)cc1F 537906435 SGXFZSGLJJCHEP-UHFFFAOYSA-N 442.450 5.712 30 20 IKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nc4ccccc4n3C)cc(-c3cccs3)nc21 538545768 JBDBJMAWRCBZME-INIZCTEOSA-N 440.532 5.117 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2ccc(C(F)(F)F)cc2Br)cc1 538566657 WGMACYXASLOXKW-UHFFFAOYSA-N 429.261 5.211 30 20 IKED C[C@@H](NC(=O)Cc1coc(-c2ccc(F)cc2)n1)c1ccc(-c2cccc(C#N)c2)cc1 541999150 OGHQAGUQORSNRW-QGZVFWFLSA-N 425.463 5.439 30 20 IKED N#Cc1ccc(CN(C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)C2CC2)cc1 543225031 LOGPDMRJENUXOL-UHFFFAOYSA-N 438.556 5.303 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC2(CCN(Cc3ccccc3)CC2)C1 557023771 RWXAJQJPWRCLBZ-UHFFFAOYSA-N 435.571 5.354 30 20 IKED CC[C@@](C)(NC(=O)c1ccccc1)c1noc(/C=C\c2cn(CCC#N)c3ccccc23)n1 571721786 JQSULCJNKXRUIL-BUOWTUAJSA-N 439.519 5.164 30 20 IKED C[C@H](Cc1cncc2ccccc12)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 574311481 VEZQGIYGAYJUDE-HXUWFJFHSA-N 435.527 5.697 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1)C1CC1 590524841 BKHLFMRSIJLXBA-UHFFFAOYSA-N 425.488 5.313 30 20 IKED CCOc1cc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc(OCC)c1OCC 592973293 CGDRIUPPNXQHRA-HNNXBMFYSA-N 428.485 5.122 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 592974663 WSGCIPJYYUPPNX-LLVKDONJSA-N 429.835 5.681 30 20 IKED Cc1c(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)oc2ccc(F)cc12 604433755 NCJUZCPIRBUVHS-UHFFFAOYSA-N 442.450 5.326 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)CCOc1ccc(Cl)cc1Br 604469995 STAXNOLPEHECLF-UHFFFAOYSA-N 437.721 5.169 30 20 IKED C[C@H](CC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 606174884 UYACMZIPPDOCPV-SWHYSGLUSA-N 449.357 6.225 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 609061160 TVLRAGXPLBXPIH-UHFFFAOYSA-N 428.536 5.527 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)Nc3cc(C#N)ccc3OC(F)F)c12 609067172 VNNDCZBYKRLVPA-UHFFFAOYSA-N 438.390 5.161 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cccc(OCc3ccccn3)c2)cc1 609298019 VFFWBMFHYNTBSN-UHFFFAOYSA-N 439.446 5.716 30 20 IKED CCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H](C)c1cccc(C(F)(F)F)c1 609437099 PJAPXHXICDLULB-HZPDHXFCSA-N 435.515 6.715 30 20 IKED COc1cccc([C@H](CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)N2CCCC2)c1 609438147 DDAXVMDCJJIRCB-AVRDEDQJSA-N 438.597 5.048 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)NCCc2nc(C3CCCCC3)cs2)o1 609489713 CAXTXZVBNMOLIL-UHFFFAOYSA-N 435.549 5.207 30 20 IKED CC(C)CC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 609600966 HFMMALLHZYXYEY-UHFFFAOYSA-N 429.480 5.374 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@@H](Cc3ccccc3)c3cccs3)cc2)nc1 609726278 DCQZAKSSEAZFGY-QFIPXVFZSA-N 425.513 5.521 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1C 609774175 XANUBCVOTBFESX-UHFFFAOYSA-N 429.520 5.126 30 20 IKED N#C[C@@H](NC(=O)c1cccc(Oc2nccs2)c1)c1ccc(OCc2ccccc2)cc1 609911348 FIHSECMXNBSPAJ-HSZRJFAPSA-N 441.512 5.509 30 20 IKED COc1ccc(-c2ncc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)s2)cc1 610290575 AYYILXUNXSICCA-UHFFFAOYSA-N 428.473 5.130 30 20 IKED C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(CSC2CCOCC2)c1 610437417 VHFJVHUOJBJBFH-UHFFFAOYSA-N 449.576 5.102 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3sc(-c4ccccc4)nc3C(F)F)CC2)cc1 611185261 FHVQQPAHEVQGNV-UHFFFAOYSA-N 439.487 5.303 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2cccc(C)c2)n1CC 617934711 CQDAYBXXQUWJCV-QGZVFWFLSA-N 426.611 5.030 30 20 IKED C[C@@H]1C[C@@H](C)CN(c2nnc(S[C@H](C#N)c3ccc(Cl)cc3)n2Cc2ccco2)C1 619863567 ANBFKOIPTYLWIA-JXXFODFXSA-N 441.988 5.412 30 20 IKED O=C(C[C@@H](c1ccccc1)C(F)(F)F)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 622545383 LYWHZWLRQZMXPF-KRWDZBQOSA-N 433.367 5.729 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2nc3ccccc3s2)nnc1-c1cccc(C)c1 643094011 PPIFKOBJFMDPIJ-OAHLLOKOSA-N 435.578 5.169 30 20 IKED N#C[C@@H](C(=O)c1ccc(OC(F)F)c(F)c1)c1nc2cc(C(F)(F)F)ccc2s1 645955548 GSFXOKCAWUOKBG-JTQLQIEISA-N 430.329 5.546 30 20 IKED C=CCn1c(S[C@H](C(C)=O)c2ccccc2)nnc1-c1ccc(Br)cc1 669935475 CDLPDUYECODLST-GOSISDBHSA-N 428.355 5.316 30 20 IKED Cc1nc(C(F)(F)F)ccc1NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 670060643 BHMZFUWQTLNMOG-RKDXNWHRSA-N 437.306 5.440 30 20 IKED CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 670801673 QEBUBHDIDPVEPZ-FPMFFAJLSA-N 435.330 5.473 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)c1 728181699 XWJGYPNBVNAYBY-RUZDIDTESA-N 426.541 5.227 30 20 IKED Cc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccccc3SCC#N)c(F)c2)cc1 730349148 CENFQJOAPADYGR-UHFFFAOYSA-N 434.492 5.212 30 20 IKED CC(C)Oc1ccccc1C=Nn1c(S)nnc1COc1c(Cl)cccc1Cl 730583844 MTPXIJAASWLBJZ-UHFFFAOYSA-N 437.352 5.122 30 20 IKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2ccccc2OCc2cccs2)c1C 730614599 RBHMFPUNJSYTMS-UHFFFAOYSA-N 448.544 5.048 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)/C=C\c1ccccc1Br 731341003 XYXPZALUKAIYRI-FZDNWWAKSA-N 437.384 5.256 30 20 IKED CN(N=C(CC(F)(F)F)c1ccc(Br)cc1)C(=S)NCc1ccccc1 731924788 PBHBHFWTRLHIHV-UHFFFAOYSA-N 444.320 5.112 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2Cc2ccccc2)ccc1OC 733614405 CBCHPFBGTPNYNL-QFIPXVFZSA-N 429.520 5.289 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(CO[C@H]3CCC[C@H](C)C3)c2)c1 733844190 HKTVDHMHKLEIFW-IEXUWNMDSA-N 435.568 5.785 30 20 IKED C[C@H](OC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nnc(-c2ccccc2)o1 734586389 RMYHKNMKMYIZFW-KRWDZBQOSA-N 425.444 5.105 30 20 IKED CC(C)OC(=O)NCc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 735172907 TUIDDICHZMGYRP-UHFFFAOYSA-N 444.491 5.629 30 20 IKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C(C)(C)C)cc3)NC2=O)cc1 736642520 VXHUIOPPCFRDSQ-FQEVSTJZSA-N 439.581 5.021 30 20 IKED COc1cc(/C=C/C(=O)c2cncc(F)c2)ccc1OCc1ccc(Br)cc1 737443327 HTBKGMDKEFOTER-XBXARRHUSA-N 442.284 5.467 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 739155715 SZQOIHUFHLWVGS-YWZLYKJASA-N 430.470 5.671 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Cc3cccc(C(F)(F)F)c3)n2)cc1 739158713 CWQCIOKMLYPCFB-LIRRHRJNSA-N 444.478 5.893 30 20 IKED C[C@H](N/C=C1/C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21)c1cccc(C#N)c1 743246154 AFAZXXKKSLQWAE-WASCAKKMSA-N 427.891 5.090 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2Cc3ccccc3C[C@H]2c2ccccc2)c1=S 743375075 FXQPTBHKLDQVIR-DEOSSOPVSA-N 439.588 5.419 30 20 IKED CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C#N)o2)NC(=S)N1c1cc(C)ccc1C 743738640 BYAIGSBACJJWAQ-HSZRJFAPSA-N 442.544 5.117 30 20 IKED N#Cc1ccc(CN(Cc2c(F)c(F)c(F)c(F)c2F)c2ccc3nc(O)[nH]c3c2)cc1 744406642 NJZAHPSOGRLTQL-UHFFFAOYSA-N 444.363 5.042 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccccc3OC)n2)cc1 747018325 HQZHMNVIGOJBHC-LJQANCHMSA-N 433.533 5.122 30 20 IKED COc1ccc(/C=C2/SC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1OCCCC#N 747472828 FCAPZRCIISPVBW-KGENOOAVSA-N 438.574 5.400 30 20 IKED C[C@H](Cc1ccc(Br)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 765935243 ITMZOHPFVXJPDR-CXAGYDPISA-N 426.339 5.023 30 20 IKED N#C[C@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)c1nc(-c2ccncc2)cs1 770419984 VIACOQVEHOLACE-AVIKPIRVSA-N 433.842 5.681 30 20 IKED CCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H]1CCN(Cc2ccccc2)C1 771757741 PZJHBRKTLQVZEE-RRPNLBNLSA-N 438.575 5.470 30 20 IKED C[C@H](N[C@@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1)c1ccc(OCC#N)cc1 776171640 ONTPLLKBOAXBKW-DFBJGRDBSA-N 445.563 5.659 30 20 IKED CCN(C(=O)Cc1ccccc1CC#N)[C@@H](c1cccnc1)c1csc2ccccc12 776913216 HNVVWDYBGNQFKA-SANMLTNESA-N 425.557 5.543 30 20 IKED N#CCOc1ccc(Cl)cc1CN[C@H](CC(F)(F)F)c1ccc(Br)cc1 778455067 RHQXBLZSHPQFJS-MRXNPFEDSA-N 447.682 5.788 30 20 IKED CC(C)(C)OC(=O)N1CC=C(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 779397137 PSXVEECLTGKJGN-QHCPKHFHSA-N 446.551 5.031 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)NC(C)(C)c2ccc(OC(F)(F)F)cc2)c1 788788307 FPQZWUDMZDUUNX-QGZVFWFLSA-N 435.446 5.001 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 789146606 BHZWJMGOEFRFMB-FQEVSTJZSA-N 437.450 5.016 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3nc4ccc(SC(F)F)cc4s3)on2)c1 790615691 RBHMJKPTUJUGCS-UHFFFAOYSA-N 428.445 5.390 30 20 IKED COCC[C@H](Cc1cccc(Br)c1)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797571397 OJDRMPLDSVYGMW-WBVHZDCISA-N 449.414 5.275 30 20 IKED CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1C 799211325 KUYMOIHZZMYBTF-MRXNPFEDSA-N 436.364 5.282 30 20 IKED CC(C)C(=O)c1ccc([C@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 802040952 VFLPWPRIEALXDB-LIRRHRJNSA-N 444.503 5.291 30 20 IKED O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@](O)(C(F)(F)F)CC1 804553243 MRXXQFLWJXYJQX-FAAWYNLUSA-N 449.313 5.043 30 20 IKED COc1ccc(CN[C@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)cc1C#N 810175760 NKYQYWDEKSCXNS-FQEVSTJZSA-N 437.540 5.306 30 20 IKED O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(Br)nc1 811695571 AHVVISOIGMSFOA-CSKARUKUSA-N 441.712 5.646 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(C)c(C)c1)[n+]1cc(O)cc(-c2ccccc2)c1 811723715 LKKBSMFGOQOQIX-UHFFFAOYSA-O 431.581 5.340 30 20 IKED C#C[C@@H](NC(=O)c1oc2ccccc2c1CSc1ncccn1)c1ccc(Cl)cc1 812351705 SACJPHUYVVISAW-LJQANCHMSA-N 433.920 5.273 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 915087002 PCEMBHQPXAMNMC-QHCPKHFHSA-N 427.504 5.941 30 20 IKED N#C[C@@H](C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1nc(-c2ccccc2)cs1 915101921 KGPHIYZKYYFVJK-IFXJQAMLSA-N 439.949 5.143 30 20 IKED CC(C)(C)C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 915774517 AZBLRHCWUHRSQV-LOSJGSFVSA-N 439.559 5.574 30 20 IKED CCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccccc1C 916216210 RQVVXJKVDRJGDN-IBGZPJMESA-N 445.972 5.027 30 20 IKED N#CCOc1cccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)c1 916409720 GYZCKYHZDGAVOL-UHFFFAOYSA-N 437.293 5.183 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 916932445 VODOTXYXDRLGOE-KRWDZBQOSA-N 440.330 5.705 30 20 IKED COCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)sc2cccc(F)c12 916974373 JNROZWJZXVUQKT-HNNXBMFYSA-N 436.533 6.109 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917043549 MWOZXKIJRQFOAB-AWEZNQCLSA-N 440.406 5.369 30 20 IKED COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 917669131 OAVSFXOJOLBULZ-VGOFRKELSA-N 430.529 5.248 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(-n3ccnc3S)cc2)cc1 918658507 ILMKOZTYIYQCDZ-UHFFFAOYSA-N 440.528 5.058 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)c2nc(-c3cccs3)no2)cc1C 920891851 FROHGTBLUFXXJV-MRXNPFEDSA-N 447.520 5.110 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C4=CCCS4)cc3)CCC2)c1 1786414950 FFJWJULNDWXPMQ-QGZVFWFLSA-N 431.561 5.082 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)c(F)cc4F)CCC3)cc2)cc1 1790290033 BUCHAIUSFCTTRM-UHFFFAOYSA-N 449.432 5.037 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cccc4nscc34)cc2)CCC1 1790942907 AJZZKHQTMHJMEH-UHFFFAOYSA-N 431.561 5.238 30 20 IKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4ccccc4Oc4ccccc4)CC3)C2)C1 1804782225 IIHRMGWTDWMSDO-UHFFFAOYSA-N 444.575 5.290 30 20 IKED CC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C)cc(C#N)c3)n[nH]2)CC1 1821326206 ORQNQIKHGXDDKI-LEDOBFOHSA-N 447.583 5.112 30 20 IKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 1829976113 NFSOXUJRUSPSDO-JOCHJYFZSA-N 449.422 5.420 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(OCC)c2)CC1 1830108635 IEDUSOCQXRQCSK-DEOSSOPVSA-N 440.628 5.311 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccccc2F)cc1 11170183 UTNKUTQHNXBVOA-UHFFFAOYSA-O 429.487 5.395 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2cccc(O)c2)cc1 22733028 FEGYVTLIHCBMRT-UHFFFAOYSA-O 432.352 5.346 30 20 IKED COc1ccc(-c2cnc(CCC(=O)Nc3sc4c(c3C#N)CCCCCC4)o2)cc1 63938525 YXXJLLNRXSTCCH-UHFFFAOYSA-N 435.549 5.514 30 20 IKED C[C@@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)C(=O)Nc1ccccc1C#N 104498185 CRFMXAGEWNPJTI-OAHLLOKOSA-N 428.492 5.427 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)c1nnc(-c2ccccc2)o1 104896149 ZNNAAMAMKHLVKU-OAHLLOKOSA-N 437.500 5.086 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(I)c3)n2)cc1 115130656 GIQUNZBQJDBTJQ-INIZCTEOSA-N 444.297 5.213 30 20 IKED CCOc1cccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)c1 214156001 AKTNWDXOXTVKIQ-NTMALXAHSA-N 428.460 5.401 30 20 IKED Cc1ccc(Cl)cc1NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 255944513 POYPAECBRUVAOQ-UHFFFAOYSA-N 435.936 5.503 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C)ccc1OCc1ccc(Cl)cc1 301761859 MJDRHINOEAJQRE-IBGZPJMESA-N 445.906 5.304 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 303167819 ISLURFIIDBGBEN-UHFFFAOYSA-N 435.911 5.463 30 20 IKED N#CCC[C@@H](NC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl)c1ccccc1 429528019 NQVJKRMUMHJAIK-GOSISDBHSA-N 428.323 5.405 30 20 IKED N#CCCC[C@H](NC(=O)NCC1(c2ccccc2Br)CC1)c1ccccc1 431977172 KIOACSPMRIBRTQ-FQEVSTJZSA-N 426.358 5.215 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1ccccc1Br 432096040 RNGUSCBTEDXNNW-QIIPPGSGSA-N 430.371 5.378 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1 432791288 FUKVGOFVRWDLFG-DEOSSOPVSA-N 442.494 5.833 30 20 IKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)[C@@H](C#N)CCc3ccccc3)c2)c1 433304628 NVNOAQYCZFQRJB-JOCHJYFZSA-N 426.520 5.028 30 20 IKED CC(=O)Nc1ccc(C(=O)N(C)[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1F 433850656 BTLZWXYMISORJG-MRXNPFEDSA-N 436.327 5.179 30 20 IKED CC(C)n1ncc2c(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cc(-c3ccccc3)nc21 436352356 NCZHMFUTXPGSNY-BVAGGSTKSA-N 449.558 5.591 30 20 IKED COc1ccccc1O[C@@H](C)CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 437970691 CIYLHEGTXXPSBV-IBGZPJMESA-N 445.519 5.043 30 20 IKED CC[C@H](C)[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1 442156854 CPWNDFSODIPDRG-MRUHUIDDSA-N 444.000 5.576 30 20 IKED N#Cc1ccc(NC(=O)CCN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1 444745282 TZOGBBFKEIHDMG-QGZVFWFLSA-N 429.364 5.189 30 20 IKED CC(C)N(Cc1ccc(F)cc1)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 446894063 XNNXIXATSSRLCX-UHFFFAOYSA-N 449.457 5.004 30 20 IKED CSc1cccc([C@@H](NCc2cccc(OCCCC#N)c2)c2cc(F)ccc2F)c1 462742315 PMTYBRPIGFXOCU-RUZDIDTESA-N 438.543 6.248 30 20 IKED CSc1cccc([C@H](NC(=O)[C@@H](C)Oc2ccccc2C#N)c2cc(F)ccc2F)c1 464138162 XGUZCTZZERIDHO-CMJOXMDJSA-N 438.499 5.231 30 20 IKED N#C[C@H](C(=O)c1ccc(Br)c(C(F)(F)F)c1)c1cc(C(F)(F)F)ccn1 464427200 PBLUQQQHPHMKPA-JTQLQIEISA-N 437.137 5.372 30 20 IKED C=CCN(C(=O)c1cn2ccnc2s1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 467867231 LCGYHNHSXFFBNX-UHFFFAOYSA-N 435.361 5.659 30 20 IKED N#CCCCOc1cccc(NC(=O)C(=O)Nc2cc(-c3ccccc3)ccc2Cl)c1 472716167 UFZOFWKTOPDHDX-UHFFFAOYSA-N 433.895 5.267 30 20 IKED N#CC1(c2ccc(C(=O)Nc3ccc(Br)cc3OC(F)(F)F)cc2)CC1 475593381 BLXOAYVHCMNYIL-UHFFFAOYSA-N 425.204 5.155 30 20 IKED C=C(C)[C@H](NC(=O)c1ccc(NC(=O)c2cccs2)c(C)c1)c1ccc(F)c(F)c1 478919564 NKVZZJJUCAMFPF-NRFANRHFSA-N 426.488 5.634 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@]4(C3)OCc3ccccc34)cc2)c1 480587387 NMUTXHASYODMQM-SANMLTNESA-N 425.488 5.404 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)nnc1-c1ccco1 480634115 ZNRPNUFMJIWTPB-UHFFFAOYSA-N 438.597 6.092 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2cncnc2)cc1F 481869284 NZUVBTLULGCDDF-UHFFFAOYSA-N 440.453 5.449 30 20 IKED N#CCC[C@H](NC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccccc1 482404537 WEYVLKOEJVJUNH-IRXDYDNUSA-N 429.364 5.653 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NC1(c2ccc(Cl)cc2)CC1 483251007 FWQQGPSNYBOVRJ-UHFFFAOYSA-N 445.906 5.056 30 20 IKED C=C(C)COc1cc(CNCc2nc3cc(Br)ccc3n2CC)ccc1OC 483486185 OBMHWHFTHIPAGH-UHFFFAOYSA-N 444.373 5.072 30 20 IKED C[C@H](C(=O)Nc1cc(F)cc(NC(=O)[C@H](C)c2cccc(C#N)c2)c1)c1cccc(C#N)c1 485190873 DZMNHXIZZJTICS-CALCHBBNSA-N 440.478 5.053 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 489236381 CXVHYYRFVRXAHN-UYAOXDASSA-N 434.446 5.456 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)nnc1-c1cccs1 489407535 QGBMSBMNLQZBQQ-SNVBAGLBSA-N 440.381 5.014 30 20 IKED C[C@@H]1CN(C(=O)N[C@H](CCC#N)c2ccccc2)C[C@H](c2cccc(C(F)(F)F)c2)O1 489762394 NDKWAOPCWVEBKH-MAODMQOUSA-N 431.458 5.222 30 20 IKED C=CCC[C@H](NCc1cnc(-c2ccccc2OC)nc1)c1ccc(C(F)(F)F)cc1 491226038 WBMBRWJVDWPWEE-NRFANRHFSA-N 427.470 5.968 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)N(CC(C)C)c3ccc(C#N)cc3)c12 499302951 WXDFGBNSHCFVAN-UHFFFAOYSA-N 428.492 5.610 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(OCC4CCCCC4)cc3)CC2)c1 501740466 GJNPWRFXOGOEPD-UHFFFAOYSA-N 445.563 5.008 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc2cnn(C(C)C)c2c1 502647894 NIHPGZZBNATPGQ-UHFFFAOYSA-N 445.336 5.739 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 505045499 IZFUOIBFENNGLT-OAQYLSRUSA-N 443.551 5.192 30 20 IKED CC(C)n1ncc2c(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)cc(C3CC3)nc21 505923725 XQBJVQLVOQZAFY-LJQANCHMSA-N 428.323 5.191 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C 507059662 MOXMVTNEHBIECM-KRWDZBQOSA-N 439.556 5.725 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 508096875 LZWWIVMEPBMGEU-UHFFFAOYSA-N 429.499 5.360 30 20 IKED CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511324023 VCRVQXJZHZNRNY-UHFFFAOYSA-N 439.968 6.101 30 20 IKED CC(C)CN(CC(C)C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 511335689 VXEIIJXSLIFSOZ-OAQYLSRUSA-N 425.960 5.075 30 20 IKED CCOc1ccc(-n2c(SCc3cccc(C#N)c3F)nnc2-c2cccnc2)cc1 513230257 AKOVVMHDTHRPAU-UHFFFAOYSA-N 431.496 5.031 30 20 IKED Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 515130482 XWVNWCPHJGIXRQ-IBGZPJMESA-N 447.947 6.202 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 515504501 LHPZVESUOUQFGQ-UHFFFAOYSA-N 437.952 6.016 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H]2CCOc3ccccc32)cc1 517506723 UTAWVWJCVPKWOF-GOSISDBHSA-N 429.476 5.047 30 20 IKED Cc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1C(=O)NC(C)C 518362295 NWPGCCFMTCREEK-UHFFFAOYSA-N 427.504 5.244 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N(Cc3ccc(O)cc3)Cc3ccco3)c2)cc1 520603346 DWEIFFNTHDBIIG-UHFFFAOYSA-N 439.471 5.883 30 20 IKED N#CCCn1cc(/C=C\c2nc(-c3ccc(Oc4ccccc4)nc3)no2)c2ccccc21 521049704 LQNZPFVJCQGMLM-OWBHPGMISA-N 433.471 5.963 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N3CCC[C@H](C(=O)c4ccc(F)cc4)C3)c2)cc1 523405867 YWTHOUFGOVAURS-NRFANRHFSA-N 427.479 5.176 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3cc(F)ccc3SCC(F)F)CC2)c1 523446594 BOFMWCVTPXHMAT-UHFFFAOYSA-N 435.471 5.130 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CC[C@H](c4ccc(Cl)cc4)C3)c2)c1 523622879 FLSDNCIVIFJMRQ-FQEVSTJZSA-N 444.922 5.485 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(COCc4ccccc4)cc3)o2)cc1 525567523 RBDKEUJGWVNBAA-UHFFFAOYSA-N 438.483 5.699 30 20 IKED CC(C)c1ccc(Nc2nnc(SCc3nnc(-c4cccc(C#N)c4)o3)s2)cc1 525625545 CXKNRZUIWHYCHK-UHFFFAOYSA-N 434.550 5.619 30 20 IKED C=CCC[C@@H](NC(=O)c1ccc(N2CCC(O)CC2)cc1)c1ccc(C(F)(F)F)cc1 532737992 AHZQOYJYGVIRFD-JOCHJYFZSA-N 432.486 5.104 30 20 IKED Cc1cc(C)c(NC(=O)CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c(C)c1 534136261 ABRIZBFXWIAVRD-UHFFFAOYSA-N 447.922 5.298 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCC2(c3ccc(F)cc3F)CC2)cc1 534163032 RXTUOHOMULUZOM-UHFFFAOYSA-N 447.485 5.463 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1 537848626 LSGWFVQBHAZYGQ-QGZVFWFLSA-N 435.549 5.173 30 20 IKED Cc1nn(C)c(C)c1[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C(F)(F)F 540815296 HYPFQIXHHAFPNV-HXUWFJFHSA-N 443.429 5.126 30 20 IKED CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 544483034 QMGDPMACKOAUIN-ZWKOTPCHSA-N 449.366 5.856 30 20 IKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2cccc(C(F)F)c2Cl)CC1 544631814 DXQLZWWOMFGIEV-UHFFFAOYSA-N 441.869 5.052 30 20 IKED COc1cc(C#N)ccc1NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 546002393 HFENFGYFZQDNRS-HXUWFJFHSA-N 430.508 5.714 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 548432351 GFYNJJDCRMJZTG-GOSISDBHSA-N 445.544 5.242 30 20 IKED C[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1ccc(OCc2cccnc2)cc1 567830909 VTCIAFPRJFOACX-HXUWFJFHSA-N 438.531 5.410 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@H](c3cccc(F)c3)c3ccccn3)cc2)ccn1 589363673 ZVPWFRRSKROTSY-XMMPIXPASA-N 439.450 5.191 30 20 IKED COCCN(Cc1ccc(C)cc1C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 589364115 IWZLSXUBIFLRHD-UHFFFAOYSA-N 430.508 5.043 30 20 IKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1 603643765 XQHGQIWXLQJDPQ-UHFFFAOYSA-N 426.520 5.090 30 20 IKED C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(OCc2cccnc2)cc1 603682076 BARPSFDNDDGNSS-JOCHJYFZSA-N 449.554 5.962 30 20 IKED C[C@H](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)Nc1ccc(C#N)c(Cl)c1 603728539 PTPHUJCPKFVDLU-CYBMUJFWSA-N 429.307 5.120 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(Cc4ccccc4F)n3)n2)cc1 605257587 QTFJQNHFAADEDF-KRWDZBQOSA-N 444.516 5.358 30 20 IKED C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 605955623 KZFFTLAEUORJDE-DHWSYENGSA-N 440.403 5.623 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc4c(c3)OCCCO4)cc2Cl)c1 609063212 PZTGSERTXOSGLT-UHFFFAOYSA-N 434.879 5.204 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCNC(=O)c3ccc4ccccc4c3)cc2)c1 609065112 XDPBPXSYRVLJPJ-UHFFFAOYSA-N 449.510 5.049 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccn(-c4cccc(Cl)c4)n3)cc2F)c1 609105476 ZMBCTKNDIXKUKA-UHFFFAOYSA-N 446.869 5.368 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OCCOc2ccc(Cl)cc2)cc1 609115610 UOBDXNFHNCDOMN-UHFFFAOYSA-N 449.938 5.011 30 20 IKED CCN(CC)[C@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1 609201001 IONNSOWPKRMHPR-SANMLTNESA-N 427.548 5.353 30 20 IKED CN(C(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)c1)c1ccccc1 609215530 MFLYRCOZFMYBOB-UHFFFAOYSA-N 429.545 5.418 30 20 IKED Cc1cc(-c2cc(C(=O)NCc3ccc(C#N)cc3F)c3cnn(C(C)C)c3n2)c(C)s1 609229112 RGOMVLXDASCSKF-UHFFFAOYSA-N 447.539 5.298 30 20 IKED N#CCN1CCC(NCc2cn(-c3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)CC1 609334997 OMHGRQBTONQGPM-UHFFFAOYSA-N 447.586 5.284 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 609439018 SJFKGTGYPOZCOE-DLBZAZTESA-N 428.989 5.382 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)c2)cc1 610044641 IMIYJRLBLRFXFE-UHFFFAOYSA-N 438.237 5.274 30 20 IKED CN1CCC[C@H](CNC(=O)c2cccc(COc3ccccc3C#N)c2)[C@H]1c1cccs1 610180714 NWMXHKYSKKTSQU-RDGATRHJSA-N 445.588 5.012 30 20 IKED C[C@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@H](c2ccc(F)cc2)O1 610204998 DNYLJBWTASBSJC-UPCLLVRISA-N 434.442 5.231 30 20 IKED C=CCn1c(SCc2c(C#N)c(C)nn2-c2ccccc2)nnc1-c1ccccc1C 610863385 YXBBPHNAOGSMHB-UHFFFAOYSA-N 426.549 5.098 30 20 IKED COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C1 611333601 GEBKNDKWMLAENX-SFHVURJKSA-N 440.927 5.055 30 20 IKED N#CCn1c(-c2nc(-c3cccc(NC(=O)c4ccccc4F)c3)no2)cc2ccccc21 612899780 CUTGWPNJCBDCSH-UHFFFAOYSA-N 437.434 5.273 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)nnc1-c1ccc(F)cc1 619095275 BWXRYIMXXWAJFB-SFHVURJKSA-N 438.572 5.188 30 20 IKED N#C[C@H](C(=O)c1ccc(COc2ccccc2)cc1)c1nc(-c2c(F)cccc2F)cs1 620304128 DBXBJEPMAVPYSP-LJQANCHMSA-N 446.478 6.157 30 20 IKED N#C[C@H](C(=O)c1ccccc1Oc1cccnc1)c1nc(-c2ccc(Cl)cc2)cs1 623036492 ADAIKNXURGSDGF-LJQANCHMSA-N 431.904 6.141 30 20 IKED FC(F)c1nc(C2(NCc3ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc3)CCC2)no1 644836498 DZPIGQBRUMXTES-ZDUSSCGKSA-N 445.310 5.048 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N[C@H]1C[C@H](c2ccc(F)cc2)C1 644968046 ZHXOGLCFUOHKPO-ABHRYQDASA-N 426.376 5.280 30 20 IKED C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 670198896 XJZMLKSDHBYFJF-FQEVSTJZSA-N 443.551 5.267 30 20 IKED COc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c(Cl)c1 679466145 KBMSQHTZHJZGGC-UHFFFAOYSA-N 435.867 5.009 30 20 IKED O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1cc(F)c(C(F)(F)F)c(F)c1 683214504 DPNANEAFEUJKKZ-UHFFFAOYSA-N 435.274 5.440 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(C)c(-c2cccc(Cl)c2)s1 726733311 VTIKJGBGFRMHNI-KRWDZBQOSA-N 438.936 5.737 30 20 IKED O=C(O)C(=O)/C(=C/C1=Cc2cc(Cl)cc(Cl)c2OC1)c1ccc2ccccc2n1 728156664 LBJFIPRFOWDNHD-LZYBPNLTSA-N 426.255 5.055 30 20 IKED Cc1cc(C(=O)Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)c(C)n1Cc1ccc(F)cc1 728705326 UILUTWJANDHGOI-UHFFFAOYSA-N 447.897 5.015 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)c1 730396562 RZHRYMXUKUZSRL-QGZVFWFLSA-N 444.434 5.583 30 20 IKED C=CCN1C(=O)N[C@@H](c2cnc(-c3ccccc3)s2)C(C(=O)Nc2ccc(F)cc2)=C1C 731423662 VEEGBSYZBLMGKR-NRFANRHFSA-N 448.523 5.114 30 20 IKED CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 731979069 FMBIUSCNASYMLJ-UHFFFAOYSA-N 427.504 5.326 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)c1 733772854 HWBDZESKUBWPEN-JOCHJYFZSA-N 440.499 5.623 30 20 IKED Cc1ncc2c(n1)CCC[C@@H]2NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 734929555 SVHNDVKDLGRFDE-XXBNENTESA-N 431.927 5.293 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1 734997960 HMTMSRXARDNDQZ-HXUWFJFHSA-N 435.867 5.311 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)c(C)cc2C)[n+]2cccc(O)c2Cl)c1 735665801 IIYMJEIMMNNVHI-UHFFFAOYSA-O 449.983 5.563 30 20 IKED CCOC(=O)c1ccc(NC(=S)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1 745724931 ZTARXHAXRLHSGD-UHFFFAOYSA-N 447.535 5.586 30 20 IKED O=C(C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(C2CC2)C1=O)Nc1ccccc1 745990740 ICXUYZADFMGNMY-QGZVFWFLSA-N 434.348 5.116 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)cc1 746126366 YBIOXLXDNRQQLU-QFIPXVFZSA-N 442.906 5.617 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(-c2nnc(C)o2)cc1 747565376 CHBWHVNBSZUOMU-UHFFFAOYSA-N 445.292 5.167 30 20 IKED CC[C@@](C)(CCCNC(=O)c1ccccc1SCc1ccc(C#N)cc1)C1OCCO1 747911331 FWPFEGFTRACLRW-VWLOTQADSA-N 438.593 5.150 30 20 IKED N#Cc1ccc(C=C(C(=O)Nc2ccccc2Cl)C(=O)Nc2ccccc2Cl)s1 748994126 HAQKOQRGBPWTJY-UHFFFAOYSA-N 442.327 5.587 30 20 IKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3cc4ccccc4o3)o2)cc1C 749091081 AJLRCNZDNXAUEH-UHFFFAOYSA-N 432.505 5.139 30 20 IKED N#C[C@H](COC(=O)c1csc(-c2cc(Br)cs2)n1)Cc1ccccc1 750784391 SVRDPBTVHMIHJK-CYBMUJFWSA-N 433.352 5.173 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](OCCCc3ccccc3)C2)cc1 752636514 LTYLKSIDPBKKIL-SVBPBHIXSA-N 439.559 5.598 30 20 IKED C[C@H](OC(=O)c1ccc(Cl)c(C#N)c1)C(=O)N1c2ccccc2Sc2ccccc21 754909137 QWGLHDPLMFIBNF-AWEZNQCLSA-N 434.904 5.586 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 755878368 NWISUJBEFDFYTF-KRWDZBQOSA-N 434.323 5.264 30 20 IKED Cc1ccc(Cn2nc(C)c(/C=C\C(=O)c3cc(Br)ncc3F)c2C)cc1 762423502 FPESTRRCQSAXJB-HJWRWDBZSA-N 428.305 5.049 30 20 IKED CC(=NNc1c(F)cc(C(=O)NC2CC2)cc1F)c1csc(-c2csc(C)n2)c1 763183493 QAWQHLJLJCDMCE-UHFFFAOYSA-N 432.521 5.187 30 20 IKED CCCc1c(NC(=O)NCc2cccc(O[C@@H](C#N)CC)c2)cnn1-c1ccc(C)cc1 763901074 QQWMLGZTTQHZDY-OAQYLSRUSA-N 431.540 5.136 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(O)(c4ccccc4Cl)CC3)cc2)c1 765283581 OZEQIPOTVKUARM-UHFFFAOYSA-N 447.922 5.519 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccc(Br)cc1 766625434 MWHQBSLZNLZOFN-SCLBCKFNSA-N 436.334 5.424 30 20 IKED N#C[C@@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)c1nc2ccccc2n1C(F)F 769943886 BVDRHMZCHKGBMJ-FYQHACEVSA-N 439.771 5.907 30 20 IKED Cc1cc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)ccc1NC(=O)OC(C)(C)C 772018581 PPGQYJBUMXMZBH-UHFFFAOYSA-N 434.521 5.590 30 20 IKED C=CCn1c(SC[C@@H](O)c2ccc(F)c(Br)c2)nnc1-c1ccccc1C 774629621 ACXUEPGKDDXBGE-GOSISDBHSA-N 448.361 5.167 30 20 IKED N#CCCCCSC1=N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F 776218295 OMONFJVWRXNELX-QGOAFFKASA-N 448.350 6.303 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@@H](C)C(=O)c3ccc(Cl)cc3)n2)cc1 777308865 HHKZUFRQGBVHIB-KUHUBIRLSA-N 438.936 5.557 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc(Cl)cc(C(F)(F)F)c1 778603899 GYJJHNRAEBBBNR-CQSZACIVSA-N 448.800 5.635 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CCc3[nH]c4ccccc4c3C2=O)cs1 781551866 NSGNVTQLAYRKRU-QINSGFPZSA-N 431.492 5.661 30 20 IKED CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCCCC(C)(C)C#N)c1 781924449 LPJHPPRFQSLNSB-UHFFFAOYSA-N 448.972 5.042 30 20 IKED C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 783075677 DKAZZJJRUGZYSN-QMTHXVAHSA-N 445.224 5.127 30 20 IKED C/C(=C/C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc([N+](=O)[O-])cc1 783920399 PVLHPNBWCKUYBL-VLGSPTGOSA-N 427.460 5.282 30 20 IKED C=CCC[C@@H](C(=O)OCc1nnc(-c2ccccc2Br)o1)c1ccccc1 784827134 ZYDWPZOFIKRBPI-MRXNPFEDSA-N 427.298 5.292 30 20 IKED CN(Cc1ccccc1)C(=O)[C@@H](C#N)C(=O)c1ccc(-c2nc3ccccc3s2)s1 787071300 MCKCLHNLBKYLPL-INIZCTEOSA-N 431.542 5.006 30 20 IKED CC1(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC1 787107490 RAPMLRHWQVOJDW-UHFFFAOYSA-N 432.176 5.069 30 20 IKED C#CCn1ccc(CN(CC)C(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)n1 790110541 VMFBEWAQOUHUPA-UHFFFAOYSA-N 447.538 5.425 30 20 IKED N#CC[C@H](CC(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1 795981540 NIJCKYLHCZJPOZ-CYBMUJFWSA-N 425.699 5.216 30 20 IKED CNc1ccc(C#N)cc1NC(=O)c1oc2ccccc2c1CSc1nc(C)cs1 803309556 ZTCFPHAEWAVPMJ-UHFFFAOYSA-N 434.546 5.656 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cc3c(C)nn(C)c3s2)cs1 806577448 QVUNBBWQOVUKMU-RMKNXTFCSA-N 440.525 5.120 30 20 IKED N#C[C@@H](C(=O)CCSc1ccc(Br)cc1)c1cc(C(F)(F)F)ccn1 813218339 UYQQZVJNCMTUDR-CQSZACIVSA-N 429.261 5.222 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 815906597 DVOCFBADPFLSIM-INIZCTEOSA-N 432.785 5.580 30 20 IKED Cc1cc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)c(C)n1Cc1ccco1 916278661 NVKDCSQRLMZQJS-UHFFFAOYSA-N 441.560 5.253 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)c1ccc(OCc2nccn2C)cc1 917518282 YUGXMUSZPQNNHQ-OUKQBFOZSA-N 446.938 5.102 30 20 IKED CCOc1cc(/C=C/C(=O)c2cc3ccc(N(CC)CC)cc3oc2=O)cc(Cl)c1O 917615043 FWDNBVUIZLIRKA-JXMROGBWSA-N 441.911 5.293 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(O)cc4)cc3)CCC2)c1 1790306670 FEWUVMBASLYLSF-GOSISDBHSA-N 439.515 5.081 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)C3(c4ccc(OC)cc4)CCC3)CCC2)cc1 1791583959 FYUQSPUAHGXVJD-UHFFFAOYSA-N 444.575 5.055 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(Cl)cc(C)nc4c3)CCC2)cc1 1792263973 OTYUVQCZMUKRPN-UHFFFAOYSA-N 445.950 5.358 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ccoc23)[nH]n1 1814443805 ARFVHDBHNPUHJE-HXUWFJFHSA-N 434.540 5.454 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)cc2F)n[nH]1 1814579433 BOAZMGPZQLGCQI-HXUWFJFHSA-N 444.938 5.277 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccccc3o2)[nH]n1 1819305287 HFXBVVUNVQKGKQ-QUCCMNQESA-N 432.524 5.230 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2)n[nH]1 1822320656 RGAFVOGVNFKRFL-JAXLGGSGSA-N 434.584 5.198 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)ccc2F)CC1 1828824445 KZZSBSQEZAGPJQ-REWPJTCUSA-N 446.994 5.481 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCC(F)(F)CC2)CC1 1828825699 YCPFIRYFWLJMJV-FGZHOGPDSA-N 436.587 5.200 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)CC1 1828829332 ZYMVVQMOCNFDRR-OZXSUGGESA-N 447.623 5.478 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 1831859880 LMDRQDISQXNDEM-HSZRJFAPSA-N 443.031 5.348 30 20 IKED Cc1ccsc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832634167 IRPLYLQESNEICF-AUSIDOKSSA-N 449.620 5.231 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(C)c(C)c2)cc1 11161112 ACJYVTFNNIKXMK-UHFFFAOYSA-O 425.524 5.482 30 20 IKED CC(C)c1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2cccc(O)c2)cc1 11262935 HEXZWTMOWNAFFQ-UHFFFAOYSA-O 431.990 5.569 30 20 IKED O=C(C[C@H]1S/C(=N/c2cccc(C(F)(F)F)c2)NC1=O)Nc1cccc2ccccc12 15231879 JUBDJWDIILUFSY-GOSISDBHSA-N 443.450 5.107 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(C)Cc2cc(Cl)ccc2OC)c1=S 16880111 CAOLNBMEAFZPLT-UHFFFAOYSA-N 444.988 5.027 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C(C)C)cc2)[n+]2cccc(C)c2)cc1 22728665 HIJSWSRDJLIWAW-UHFFFAOYSA-O 433.597 5.856 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)cc1 30792918 SDHVELSQFBLIRD-UHFFFAOYSA-N 437.931 5.209 30 20 IKED N#CCOc1ccc(CC(=O)Nc2sc3c(c2-c2nc4ccccc4[nH]2)CCCC3)cc1 303469441 MYHFWZRFGTWSJP-UHFFFAOYSA-N 442.544 5.254 30 20 IKED C#CCOc1ccc(F)cc1NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 303964075 XQGBNZLROBXHHR-UHFFFAOYSA-N 435.307 5.449 30 20 IKED Cn1ccc2c(NC(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)cccc2c1=O 410362517 GXNWPLFOOZWQCJ-UHFFFAOYSA-N 429.863 5.108 30 20 IKED Cc1ccc(CN2CCCC2)cc1NC(=O)c1cccc(COc2ccccc2C#N)c1 427492920 ODFWKSFNTKLPAA-UHFFFAOYSA-N 425.532 5.294 30 20 IKED COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1cccc(SCC#N)c1)CC2 429938764 USTXUSZWEIZEJC-VWLOTQADSA-N 444.556 5.107 30 20 IKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)cc(-c3ccco3)nc21 430599508 VRGVSRRPQUIOAL-HNNXBMFYSA-N 433.537 5.516 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1 432752211 JPKWQGFDGBRZDT-LJQANCHMSA-N 446.473 5.099 30 20 IKED Cc1sc([C@H](C)NC(=O)N[C@@H](CCC#N)c2ccccc2)nc1-c1ccc(Cl)cc1 438842019 NRJNOAFANDJIDT-YWZLYKJASA-N 438.984 6.177 30 20 IKED N#CCCCn1cc(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c2ccccc21 444034174 OMGYUHVFAJMDBZ-UHFFFAOYSA-N 446.938 5.759 30 20 IKED CC(C)(C)c1nsc(Oc2ccc(NC(=O)c3cccc(CC#N)c3)cc2Cl)n1 444519656 PCZNWCDTFQQWLS-UHFFFAOYSA-N 426.929 5.600 30 20 IKED C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1CC(=O)Nc1ccccc1S[C@H](C)CC#N 444722008 GLQMMCMPFKQNLH-CSODHUTKSA-N 444.000 5.135 30 20 IKED N#Cc1cccnc1-n1cc(NC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)cn1 461281610 CNTSHVDRYMFUKD-UHFFFAOYSA-N 448.511 5.182 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 462267907 JSFZDLHRQFLKBM-JYFHCDHNSA-N 441.531 5.488 30 20 IKED Cc1cc(F)cc2c(N3CCC[C@@H](c4nc(-c5ccc(F)cc5)no4)C3)c(C#N)cnc12 462800502 FPCVTJVEPTXJBP-MRXNPFEDSA-N 431.446 5.127 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Nc2cccc(NC(=O)c3ccccc3)c2)c1 467424343 SFTOCOADAPEFRY-OAQYLSRUSA-N 440.547 5.303 30 20 IKED C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccc(-c2ccncc2)cc1 467769338 HZPQONSZRJAOLG-KRWDZBQOSA-N 439.544 5.550 30 20 IKED N#C[C@H]1N(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)CCC[C@@]12CCCCO2 468138318 MILFJEKTFZWTJL-XLIONFOSSA-N 436.364 5.184 30 20 IKED Cc1coc(-c2cccc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c2)n1 468317827 PJUYMCIUAZDGRX-UHFFFAOYSA-N 440.478 5.895 30 20 IKED CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469049772 PMTGOHAPPOQVTC-MOPGFXCFSA-N 432.568 5.222 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)CCc3ccc(Cl)cc3Cl)ccc21 469974727 RHKQVSBUUUXILR-UHFFFAOYSA-N 430.335 5.148 30 20 IKED C=C[C@@](C)(CCOC)C(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C 473861741 CCOWMVQAFPYMOB-VLIAUNLRSA-N 437.403 5.287 30 20 IKED C[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc2cccc(F)c2o1 474835524 QHUDQSQBDWNJGM-OAHLLOKOSA-N 434.471 5.038 30 20 IKED N#CC[C@H](CC(=O)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21)c1ccccc1 475114265 AJANYUUCDDAJHL-OAQYLSRUSA-N 441.506 5.445 30 20 IKED CCN(C[C@@H]1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C1)CC(F)(F)F 480277708 LNIQKDFHICQLRC-KRWDZBQOSA-N 447.526 5.056 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)[C@@H](OC)c2ccccc2Cl)cc1 480847018 RXZSKBMEKWQBJA-HTAPYJJXSA-N 441.959 5.052 30 20 IKED CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)Cc1ccc(C#N)cc1Br 481103208 HTZBMVTVNZARHS-UHFFFAOYSA-N 445.748 5.435 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)c1nccc2ccccc12 483226654 KETCJNRRBCDFKP-LJQANCHMSA-N 433.920 5.722 30 20 IKED Cc1ccc(-c2cccnc2)cc1NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 484955882 UXYSXMMJQKEWRU-UHFFFAOYSA-N 448.482 5.298 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)cc1Cl 486734459 MMQUJEHRZWKETD-YTFSRNRJSA-N 449.982 5.363 30 20 IKED Cc1ccc(Cn2nc(C)c(CCC(=O)N[C@@H](CCCC#N)c3ccccc3)c2C)cc1 487219011 LPLQVGCUTZSTBX-SANMLTNESA-N 428.580 5.341 30 20 IKED C=CCC[C@H](C(=O)Nc1ccc(C)c(NS(=O)(=O)c2ccccc2)c1)c1ccccc1 489459035 BTMVFFUXEHUGLS-QHCPKHFHSA-N 434.561 5.484 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](c1c[nH]c2ccccc12)C(F)(F)F 490844320 PMJLTLCRBGYWAX-HXUWFJFHSA-N 433.478 5.337 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(SCc2cccnc2)cc1 491835898 SEESGDGLBLHRKL-UHFFFAOYSA-N 433.533 5.052 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)cc1 494256671 KWQADSIETWFGNR-IBGZPJMESA-N 430.957 5.031 30 20 IKED CCCC[C@@H](Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)C(=O)Nc1cc(C)on1 495684743 QPYYXJPNXQAYNK-HXUWFJFHSA-N 434.496 5.265 30 20 IKED C=CCC[C@@H](NC(=O)N1CC[C@H](c2nc(C3CC3)no2)C1)c1ccc(C(F)(F)F)cc1 500108781 VSCHIUDHJDKPPH-FUHWJXTLSA-N 434.462 5.172 30 20 IKED C=CCN(C(=O)c1sc(-c2ccc(C)cc2C)nc1C)c1nc(C(=O)OCC)cs1 501946540 PUUVDLOACUCVSE-UHFFFAOYSA-N 441.578 5.201 30 20 IKED N#Cc1cc(NC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)ccc1F 502417063 OAIBMWBLUBHUTD-UHFFFAOYSA-N 429.282 5.633 30 20 IKED N#C[C@@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1cccc(C(F)(F)F)c1 505946681 AQRVEVOTJMOLSF-QGZVFWFLSA-N 433.817 5.327 30 20 IKED COc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1-c1ccnn1C 507536887 RKKOBDRILHXWIN-UHFFFAOYSA-N 442.450 5.151 30 20 IKED Cc1cc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)ccc1Oc1cccnc1 509232620 FERWRHZGRZVQFM-UHFFFAOYSA-N 428.492 5.129 30 20 IKED C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511510183 ZPFVYZUFXXPBKS-MRXNPFEDSA-N 432.911 5.689 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1nc2ccccc2s1 513656121 XZDMWPMLJNVRFX-INIZCTEOSA-N 444.903 5.885 30 20 IKED Cc1ccc2c(c1)CC[C@H]2NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 516730760 QNLFTBJAFJTJDK-ISKFKSNPSA-N 443.934 5.046 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)cc2)nc1 517653480 HMVLVGCLPAUBAM-UHFFFAOYSA-N 432.911 5.642 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc(OC)c1OC 519054367 QFFBYDILTZYNPH-INIZCTEOSA-N 447.491 5.259 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)CSCc3ccc(Cl)cc3Cl)CC2)c1 519160282 FXPRXFPJKRQRNQ-UHFFFAOYSA-N 435.376 5.168 30 20 IKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 520266072 CNTITQTVXRGXJV-KXBFYZLASA-N 448.464 5.088 30 20 IKED N#Cc1ccc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3OC(F)F)cs2)cc1 520316810 AVIDNIWIYPBTPG-UHFFFAOYSA-N 437.374 5.137 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 521209071 PGDCUNWYKAOQRT-UHFFFAOYSA-N 432.568 5.265 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(OCC(F)(F)F)nc3)cc2)c1 521810302 LSROLPMMQSEBKV-UHFFFAOYSA-N 442.397 5.008 30 20 IKED CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1 522521167 YXLTZKYKRDOPGP-JGCGQSQUSA-N 446.572 5.437 30 20 IKED C[C@H](c1ccccc1)N1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 522621916 PGZMNTIHPBSNJR-HXUWFJFHSA-N 440.547 5.698 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc3scnc3c2)nnc1-c1ccc(Cl)cc1 523030023 SRHOFSKOPMGPEA-UHFFFAOYSA-N 441.969 5.125 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccc(C)cc3C)o2)c1 524290557 WIWRLIJHLWCGFV-IBGZPJMESA-N 434.565 5.398 30 20 IKED C[C@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 525504923 YJMCUNRUBCEPNV-KRWDZBQOSA-N 435.911 5.419 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 525515242 IYRBYOONPVUIRH-UHFFFAOYSA-N 427.430 5.205 30 20 IKED COc1cc(Br)c(CNc2ccccc2Oc2ncccc2C#N)cc1OC 530671112 NCRTVYVJJGWZPO-UHFFFAOYSA-N 440.297 5.137 30 20 IKED Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 534141189 VYSNXVIKFHZPPB-UHFFFAOYSA-N 447.922 5.703 30 20 IKED C[C@@H](O)C[C@@H](CNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccccc1 534148811 GPMHAJRFOPOEDO-UTKZUKDTSA-N 434.923 5.288 30 20 IKED CC(C)Cn1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(C(F)F)n1 534217983 ODUCMEMNCSTMDR-UHFFFAOYSA-N 440.519 5.893 30 20 IKED CC[C@](C)(C#N)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(OC)c1OC)CC2 534593772 XTSNUNDICMOUCR-NBSJPRBISA-N 441.531 5.161 30 20 IKED C[C@H](C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)c1cccc(C(=O)c2ccccc2)c1 534906179 XUFUDPDVEOUYHZ-AOMKIAJQSA-N 436.433 5.421 30 20 IKED N#C[C@H](C(=O)c1cn(-c2ccc(Br)cc2)cn1)c1nc(-c2ccccc2)cs1 535202929 RFWBVIGLFZNWSW-QGZVFWFLSA-N 449.333 5.248 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 539233160 ORGADCQYVSQGQG-PMACEKPBSA-N 447.604 5.254 30 20 IKED N#CC1(c2ccc(C(=O)N3CCc4c(cccc4NC(=O)Nc4ccccc4)C3)cc2)CC1 539675037 OOBMDBDQDISMPU-UHFFFAOYSA-N 436.515 5.084 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)N1CCC(CC#N)CC1 541044532 UWSASZJPSAMFEY-UHFFFAOYSA-N 433.531 5.889 30 20 IKED CC(C)N1CCc2nc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)sc2C1 541460775 POBIMNZOCQPQJV-UHFFFAOYSA-N 448.617 5.326 30 20 IKED C[C@H]1CN(C(=O)c2ccc(Cl)c(C#N)c2)c2ccccc2N(Cc2ccccc2)C1=O 541624623 VUSHMKCTINWIKV-KRWDZBQOSA-N 429.907 5.041 30 20 IKED C=CCN(C(=O)[C@@H](C)CCC(C)(C)C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 543443976 PQLRTPCVRKOMLZ-INIZCTEOSA-N 434.627 5.195 30 20 IKED C[C@H](NC(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(-c2cccc(C#N)c2)cc1 544432995 MVGJVXPTKDEFNR-IMDCKVJKSA-N 443.522 5.645 30 20 IKED C=CCOc1ccc(/C=C\c2nc(-c3ccc(C(=O)N4CCC[C@H]4C)cc3)no2)cc1OC 545143122 ICNVHYCTUQJVLL-DVNIYVAHSA-N 445.519 5.105 30 20 IKED CCn1c(-c2ccc(COc3ccc4ccccc4c3)cc2)nnc1N1CCC(C#N)CC1 549095382 IAHPMADFCJSFOT-UHFFFAOYSA-N 437.547 5.437 30 20 IKED N#CCC1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2cccs2)CC1 549965913 MUVUFJJLXXAQPF-UHFFFAOYSA-N 448.415 5.009 30 20 IKED Cc1nc(C2(NC(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CCCCC2)no1 554478521 KOAGJRUJYISIEO-UHFFFAOYSA-N 435.459 5.162 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(N2CCc3cc(F)ccc32)CC1 554877112 GTALWPQIUMZIRW-QGZVFWFLSA-N 438.572 5.279 30 20 IKED CC1(C)C(=O)Nc2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)ccc21 555320263 CZNLQDJDWWLKFN-LJQANCHMSA-N 429.907 5.477 30 20 IKED C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 558458179 DHVJQDODKOLQCB-HXUWFJFHSA-N 438.560 5.631 30 20 IKED CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1 560729160 AQCKXLIIKREDNU-UHFFFAOYSA-N 426.948 5.135 30 20 IKED Cc1cc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c2nccc(C)c2c1 570744766 SFEAZFIRHMGKHF-UHFFFAOYSA-N 431.546 5.119 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H]2CC[C@H](c3ccccc3)O2)cc1 574967950 HLOBIHACKIMETA-ISKFKSNPSA-N 428.557 5.501 30 20 IKED CN(C(=O)CC(C)(C)C#N)c1ccccc1Oc1ccccc1N(C)C(=O)CC(C)(C)C#N 576785677 GYYHWQOARGDXBA-UHFFFAOYSA-N 446.551 5.284 30 20 IKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)ccc1F 585741535 JJMXQEUJKXXCQW-XMMPIXPASA-N 448.542 5.026 30 20 IKED CN(Cc1ccccc1Br)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603690334 KPMIBFSOFAOWNY-UHFFFAOYSA-N 437.297 5.172 30 20 IKED CSCc1c(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)oc2ccccc12 603835687 IJWCUZHMAZEASY-CQSZACIVSA-N 449.557 5.375 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccnc(Oc2ccc(OCC)cc2)c1 604097743 STXNYLYXONVQRA-UHFFFAOYSA-N 444.535 5.266 30 20 IKED CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604159583 MVTLBLFAZAEGCC-JOCHJYFZSA-N 449.913 5.122 30 20 IKED C=CCN(C(=O)c1cc(OC)ccn1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 604696649 PVLYMORWWNMIFH-UHFFFAOYSA-N 427.529 5.714 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)Cc1ccc(OC)c(OC(F)F)c1 606766413 BNBQVOSTKWRWFJ-UHFFFAOYSA-N 445.384 5.152 30 20 IKED COc1c(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)sc(C)c1Br 608552992 GTNOYLLUKIUYPF-VIFPVBQESA-N 425.304 5.067 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc3c(C(F)(F)F)cccc3s2)c1 608803018 YSUTXAQHCPHTFP-UHFFFAOYSA-N 443.406 5.611 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1nc(-c2cccs2)no1 609061198 LSMAUICWEZGBJL-UHFFFAOYSA-N 444.516 5.129 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCO[C@@H](c4ccccc4)C3)cc2Cl)c1 609080884 WGVFOTXFHOTANA-XMMPIXPASA-N 447.922 5.396 30 20 IKED CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cc2ccccc2n1CC#N 609166861 JDCZTKNCAWJFCF-UHFFFAOYSA-N 443.526 5.179 30 20 IKED COC(=O)c1ccc2c(c1)CN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)c(Cl)c1)C2 609318261 KBLYFJADAQZNPO-UHFFFAOYSA-N 447.878 5.338 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 609322988 WRDGPHSJWQTAEU-QGZVFWFLSA-N 448.592 6.082 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nncn1[C@@H](C)c1ccccc1 609371500 LYCMELSMIGSQFN-IRXDYDNUSA-N 437.594 5.012 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 609377446 VFWXYEYZDCEEDO-XXBNENTESA-N 443.572 5.438 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc2ccccc2n1CC#N 609378535 NSNJUQBCQUKVGH-UHFFFAOYSA-N 428.439 5.442 30 20 IKED COc1ccc(CCCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC 609434521 UOZAWYORPZWDBX-UHFFFAOYSA-N 431.492 5.122 30 20 IKED N#C[C@H](NC(=O)c1cnc(-c2ccccc2Cl)s1)c1ccc(Br)cc1 609589021 FRUAMOMDKUORIC-HNNXBMFYSA-N 432.730 5.221 30 20 IKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cccc(COc2ccccc2C#N)c1 609629951 MGYPVGCVEYCUPA-AHKZPQOWSA-N 440.543 5.377 30 20 IKED CC(C)[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1nc(C2CC2)no1 609724419 ZNDBMLPNRPLSKD-HXUWFJFHSA-N 436.899 5.391 30 20 IKED N#CCc1ccc(NC(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1 609783226 CKDPPCMDBMUCJR-UHFFFAOYSA-N 439.302 5.956 30 20 IKED COc1cc2cc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)[nH]c2cc1OC 609820679 RDCXRKKDPHQTES-UHFFFAOYSA-N 443.478 5.038 30 20 IKED Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 610018647 SZWMBGICHSGUPK-OAQYLSRUSA-N 427.548 5.849 30 20 IKED Cc1[nH]nc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1-c1cccc(Cl)c1 610354632 TZSBKPIKOXXGMD-UHFFFAOYSA-N 428.879 5.955 30 20 IKED N#Cc1cccc(-c2cnc(CNC(=O)c3sc4cccc(Cl)c4c3Cl)[nH]2)c1 611213278 ZNPCFWXHNZCGHG-UHFFFAOYSA-N 427.316 5.400 30 20 IKED COCCN(C(=O)NCc1ccc(C#N)c(Cl)c1)[C@H](C)c1cccc(C(F)(F)F)c1 619769311 ZQIZRSDVNIXFMX-CQSZACIVSA-N 439.865 5.150 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1cccc(-n2nccc2C(F)(F)F)c1 622478083 UPPDJLDZJUPKLD-MRXNPFEDSA-N 445.338 5.454 30 20 IKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCO[C@H](c2ccc(F)cc2F)C1 622527053 OICSGHRTGNMBQO-INIZCTEOSA-N 439.302 5.216 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(-c4ccccc4Cl)s3)n2)cc1 622977499 QSKPNQNDWWTBAH-INIZCTEOSA-N 435.961 6.386 30 20 IKED C=CCn1c(SCC(=O)c2cccc(Br)c2)nnc1-c1ccc(F)cc1 669910415 BSWBXPAKYACAGX-UHFFFAOYSA-N 432.318 5.008 30 20 IKED CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 670066667 HAFZLQMEUBPOMH-VXGBXAGGSA-N 446.317 5.161 30 20 IKED CCc1cc(NC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)ccc1F 672112586 OJTNFGPLOZQQKU-UHFFFAOYSA-N 445.338 5.864 30 20 IKED COC[C@H](NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 675739780 ZTXMKUJPBYKEBH-YDHLFZDLSA-N 437.346 5.892 30 20 IKED O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 679383403 BKRFZZOUBRBWAM-UXLLHSPISA-N 438.387 5.534 30 20 IKED COc1ccc(C2(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CCC2)cc1 726322613 NDEZNMWESQOKAA-MRXNPFEDSA-N 430.451 5.622 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C/c3cc(Cl)c4c(c3)OCCO4)SC2=S)cc1Cl 726626710 KDTSTIKREMYBJB-APSNUPSMSA-N 449.340 5.042 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)n1 730397457 ULLAQAXCXYBEDC-PXNSSMCTSA-N 440.521 5.169 30 20 IKED CC(C)COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 730397481 UWQNZJXGUVYVAO-KRWDZBQOSA-N 426.488 5.542 30 20 IKED CC(C)Oc1ccc(Cl)cc1C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 731072875 BKZZHPYUSJBROX-HNNXBMFYSA-N 446.956 5.317 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1nc(-c2ccc(Cl)cc2)cs1 731288199 OONOKPKQSFSZFM-QUCCMNQESA-N 449.963 5.192 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(CC2CC2)C(=O)N[C@@H]1c1csc(C(C)(C)C)n1 731431235 YDWDVFVHEMXJFO-LJQANCHMSA-N 427.545 5.056 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 732595824 AHWNSXLPRVCUKP-TWJOJJKGSA-N 438.527 5.279 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(OC3CCCCC3)cc2)ccc1OC 734934944 HWJHKHLQDDMVTE-FQEVSTJZSA-N 437.540 5.409 30 20 IKED N#CCOc1ccc(Cl)cc1COC(=O)CCc1ncc(-c2ccccc2Cl)o1 735341860 ROMSLPAMKDUUGV-UHFFFAOYSA-N 431.275 5.227 30 20 IKED CCc1cccc(CC)c1NC(=O)COC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 738752150 BHSJCRPLKLWPQW-UHFFFAOYSA-N 427.504 5.222 30 20 IKED CN(Cc1ccc(Br)s1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740061013 ZNNZENQLUJYIRR-UHFFFAOYSA-N 446.395 5.452 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl 740784744 PMPMCIOXEQKWAC-CQSZACIVSA-N 445.972 6.191 30 20 IKED CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2ccc(C#N)o2)NC(=S)N1c1ccccc1 743738515 JSYIHPWQBMPOKA-HSZRJFAPSA-N 442.544 5.117 30 20 IKED CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(OCC)c1 743739744 YZRIQCWWJNTDBD-NRFANRHFSA-N 439.581 5.072 30 20 IKED COc1ccc(-c2nn(CN(C)C[C@@H](C)C#N)c(=S)n2-c2ccccc2C(C)C)cc1 746706166 HQGYPUBFEMBEKZ-SFHVURJKSA-N 435.597 5.251 30 20 IKED CCN(C(=O)CC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 748336481 VGWVTCDJMIYVIY-ZUDLEECWSA-N 425.573 5.036 30 20 IKED CC(C)(C#N)CCOC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 751911690 QVLYBVAPYIQGNA-UHFFFAOYSA-N 429.542 5.178 30 20 IKED CCSc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1 755604857 SOPJHAHNYVUNSR-XFFZJAGNSA-N 444.528 6.114 30 20 IKED N#CCOc1cccc(CC(=O)N(c2cccc(Cl)c2)c2nc3ccccc3s2)c1 760342396 KKKLUMOUZGECBE-UHFFFAOYSA-N 433.920 5.759 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/C(=O)c3cccc4c3[C@H]2CCC4)cs1 763291354 XAVDBNOPOZYECH-CIPMJJFUSA-N 434.948 6.181 30 20 IKED N#CCOc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)c1 764848274 HSXXYPFQMPSELS-UHFFFAOYSA-N 436.855 5.015 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CCSC[C@H]2c2ccc(C)cc2)c1=S 765009857 FCNOXQQDGYSQNG-NRFANRHFSA-N 437.638 5.108 30 20 IKED Cc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1NC(=O)OC(C)(C)C 772117225 GVDFHKLZJNEWJS-MRXNPFEDSA-N 425.554 5.989 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H]2CCCc3nc(-c4ccc(C)cc4)sc32)ccc1OC 772987160 TUUUBDKBCSCUGZ-SFTDATJTSA-N 447.604 5.975 30 20 IKED COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)[C@H](C#N)c2ccccn2)s1 776075656 CSQNRNMSASBYRM-GOSISDBHSA-N 440.528 5.376 30 20 IKED CC(C)([C@H](NCc1cc(Cl)ccc1OCC#N)c1ccc(F)c(F)c1)N1CCCC1 776451488 QVXHFHJKXYXFFU-JOCHJYFZSA-N 433.930 5.226 30 20 IKED N#Cc1cc(N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)ccc1N1CCC(O)CC1 777115709 AZFPZAGKLZPCAD-RUZDIDTESA-N 433.502 5.193 30 20 IKED COc1c(Br)cc(CNc2ccccc2O[C@H](C)C#N)cc1Br 779989533 UIRNJGWAQBKUSC-LLVKDONJSA-N 440.135 5.123 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCOc3ccc4ccccc4c3)n2)cc1 780327593 JDWVAKOKQPJRBR-QFIPXVFZSA-N 428.513 5.617 30 20 IKED Cc1nc2c(s1)[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)CCC2 780861339 INIYXCOUUKKVCK-QFIPXVFZSA-N 434.540 5.252 30 20 IKED CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)Nc1ccccc1O[C@H](C)C#N)OCC3 781034241 BTMGBDTZRHGWED-QUGAMOGWSA-N 431.536 5.228 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3coc(CNC(=O)OC(C)(C)C)c3)n2)cc1 781448222 JTTKSDRILWIHDZ-GOSISDBHSA-N 437.521 5.226 30 20 IKED Cn1nc(C(F)(F)F)c(C=NNc2ncnc3sc(-c4ccccc4)cc23)c1Cl 781579111 PKKIKKKPEFVHIR-UHFFFAOYSA-N 436.850 5.210 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(OC(C)C)cc2Cl)ccc1OC 782103650 NSKVEKLLMSKPRW-MRXNPFEDSA-N 431.920 5.138 30 20 IKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(N2CCNC2=O)cc1 782364838 DLXJZUVROVLLLX-BHQIHCQQSA-N 428.332 5.150 30 20 IKED CC(=NOCc1coc(-c2ccccc2)n1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 784050606 ZIKVDRWFPZRWAL-UHFFFAOYSA-N 441.413 5.190 30 20 IKED N#C[C@H](C(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1)c1nccc2ccccc12 792095227 VGOPMNSMYCACAZ-CPJSRVTESA-N 430.479 6.223 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)[C@H]1OCCc2sccc21 796756737 OFOMQDXRQZVOLD-SBOFIZKASA-N 436.480 5.503 30 20 IKED CCc1cccc(CC)c1N1C(=O)/C(=C\c2ccc(OCC#N)c(OC)c2)SC1=S 799202737 DECHMBJADBVEOQ-XSFVSMFZSA-N 438.574 5.128 30 20 IKED C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(OC(F)F)cc3)C2=O)cc1OC 799202842 FQWRGKDOXMPASL-PDGQHHTCSA-N 449.500 5.267 30 20 IKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1CC(F)(F)F 799221469 KLPCKUVPYUBNDY-SFHVURJKSA-N 449.498 5.080 30 20 IKED CCOC(=O)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 800385401 BJLZUUUNKNTVEW-KRWDZBQOSA-N 426.881 5.489 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(N2CCCCC2=O)cc1 810183621 BLCZPTRVUIKSNF-ZWKOTPCHSA-N 436.581 5.338 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3(Cc4cccc(F)c4)CCOCC3)n2)cc1 815910623 CGGJFTRGFURXBQ-OAQYLSRUSA-N 434.536 5.473 30 20 IKED CCOc1c(Cl)cc(C=NOCC(=O)Nc2ccccc2-c2ccccc2)cc1OC 826556423 ZGACVXIXZGIJIE-UHFFFAOYSA-N 438.911 5.404 30 20 IKED Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C(C)C)cc1 915087553 VFJVXDOPZMFMDL-DQEYMECFSA-N 425.532 5.044 30 20 IKED COc1cc(OC)c2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)[nH]c2c1OC 915199557 FDGMBPKGXHULPB-HXUWFJFHSA-N 441.487 5.101 30 20 IKED O=[N+]([O-])c1cc(Cl)ccc1NN=Cc1cn(Cc2ccccc2)nc1-c1cccnc1 915975853 LRKPSTRYPZOLPJ-UHFFFAOYSA-N 432.871 5.001 30 20 IKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3ccco3)C2=O)cc1 916207122 VHHFOVAXVWACKI-NRFANRHFSA-N 433.533 5.057 30 20 IKED CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(OC)cc1 916214595 PFLGRUSDUNMNNJ-IBGZPJMESA-N 445.972 5.027 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc(-c2ccccc2)n1 916886053 CWXMTXQZXRVFHS-HNNXBMFYSA-N 429.473 5.086 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CSc1cc(Cl)ccc1Cl 916902018 BIBHRJHTUGCAHT-MRXNPFEDSA-N 435.376 5.558 30 20 IKED CC(C)CCSc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] 916912178 ZFLFNWBKEABRAS-OAHLLOKOSA-N 445.928 5.348 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4cccc(Br)c4)CC3)n2)cc1 916974390 JYUHXEQOQBWUPC-GOSISDBHSA-N 437.362 5.789 30 20 IKED N#Cc1ccc(COC(=O)c2cccnc2Oc2ccc(F)cc2Br)cc1 917299542 CKKCTIBFWXJGQM-UHFFFAOYSA-N 427.229 5.004 30 20 IKED C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(=O)Nc1cccnc1Cl 917941692 SFKXZYZNKCXDSL-ZDUSSCGKSA-N 427.291 5.491 30 20 IKED CCCN(Cc1ccc(C)cc1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 918303049 YEZZIQDSRGCMEV-VWLOTQADSA-N 425.532 5.028 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 920104720 XOOCKSWNPCPYAQ-INIZCTEOSA-N 437.286 5.174 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)COc1cc(Cl)c(Cl)cc1Cl 920106672 WLHULFFQSUUAMU-LBPRGKRZSA-N 435.694 5.407 30 20 IKED Cc1cc(-c2cc(C(=O)OC[C@@H](C#N)Cc3ccc(F)cc3)c3c(C)noc3n2)c(C)o1 920880070 VWTZBCFLOSSWRO-QGZVFWFLSA-N 433.439 5.086 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C3CCN(C(C)C)CC3)cc2)CCC1 1786665572 GGSUSNHVGLSHLN-DEOSSOPVSA-N 437.628 5.009 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3cccc(OC)c3)cc2)CCC1 1787756756 KVSLZLFBENSKPL-DEOSSOPVSA-N 432.564 5.140 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc4nc(C)ccc4o3)cc2)CCC1 1788323713 SYPGTQJDGLGEEM-UHFFFAOYSA-N 429.520 5.078 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3cccnc23)[nH]n1 1814443362 VKIWWLHFDSCZHZ-NRFANRHFSA-N 445.567 5.256 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccoc3s2)n[nH]1 1817825375 GRUVKCQTBQJPRN-WMZOPIPTSA-N 438.553 5.292 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)[nH]n1 1819307335 SAARXDODRWBCLU-AVRDEDQJSA-N 449.530 5.104 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)C(C)(F)F)CC1 1823751446 USHMKJGLRTYAKW-IBGZPJMESA-N 426.592 5.280 30 20 IKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2cccc(O)c2)c1C 10167903 QYUCJVBAGSAQBE-UHFFFAOYSA-O 433.597 5.645 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(F)cc2F)cc1 11249174 JCMPTVNJQWKPIO-UHFFFAOYSA-O 439.551 5.873 30 20 IKED C=CCNc1nc(C(=O)OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cs1 25452109 RFMOHRUHSWVBAM-UHFFFAOYSA-N 425.457 5.240 30 20 IKED COc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2cccc(C)c2)cc1 28777925 XOHNJHAPBADZLN-UHFFFAOYSA-O 433.597 5.640 30 20 IKED C[C@@H](NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)N(CCC#N)c1ccccc1 28799957 YAPPHAYYLCDPLF-PXDATVDWSA-N 436.559 5.225 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 31183481 CIIDHBINAZVBQG-UHFFFAOYSA-N 447.486 5.127 30 20 IKED N#Cc1c(NC(=O)CSCc2cc(-c3cccs3)on2)sc2c1CCCCC2 61112037 BKJSCIGYEMJELQ-UHFFFAOYSA-N 429.592 5.477 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 62905507 BJZBPXUXRJUSLW-UHFFFAOYSA-N 449.510 5.314 30 20 IKED COc1ccccc1C(C)(C)CNC(=O)c1ccccc1SCc1ccc(C#N)cc1 63274469 AAFAAKZFLVBKLC-UHFFFAOYSA-N 430.573 5.567 30 20 IKED Cc1ccc(C#N)cc1NC(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 63962293 FMSSJMZGCCBTJJ-UHFFFAOYSA-N 448.320 5.063 30 20 IKED COc1ccc(CCC2CCN(C(=O)c3ccc(COc4ccccc4C#N)o3)CC2)cc1 108058668 FHBIGJJEWXDLFF-UHFFFAOYSA-N 444.531 5.224 30 20 IKED C[C@@H](Cc1nnc(SCC(=O)c2cn(CCC#N)c3ccccc23)o1)c1ccccc1 255936477 BLEXGXMBCWXRFB-KRWDZBQOSA-N 430.533 5.259 30 20 IKED Cc1nc(-c2cccc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)c2)no1 303671208 PEAMEKKYIRFVOB-UHFFFAOYSA-N 430.851 5.615 30 20 IKED C=CCN(Cc1ccccc1)C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 303710352 YYVGDXRJGVDBHY-UHFFFAOYSA-N 434.561 5.022 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCC2CC(OC(C)(C)C)C2)cc1 433513042 YCBHFUKOSSMFEU-UHFFFAOYSA-N 437.540 5.464 30 20 IKED CCNC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C 433756023 JKSINCOEBVYYLX-SFHVURJKSA-N 441.535 5.558 30 20 IKED CC1(C)CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@@H]1c1ccccc1 434215956 YSHBZZQEWJZYLR-RUZDIDTESA-N 439.559 5.989 30 20 IKED CN(Cc1ccccc1NC(=O)c1cn(CCCC#N)c2ccccc12)C1CCCCC1 435099431 VEYHSBNHTHIWHX-UHFFFAOYSA-N 428.580 5.962 30 20 IKED CCCN(C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1)[C@H](C)c1cc2ccccc2o1 435473604 JODHKHFNPRYEKV-QGZVFWFLSA-N 433.508 5.030 30 20 IKED Cc1nn(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1-c1ccccc1 435863456 AJTJIHMQMOAOKL-UHFFFAOYSA-N 440.478 5.087 30 20 IKED COc1cccc([C@H](NCc2ccc(C#N)cc2OC(F)F)c2cc(F)ccc2OC)c1 439558822 YAIPCRYNBLARLV-QHCPKHFHSA-N 442.437 5.195 30 20 IKED CCCc1c(NC(=O)NCc2ccc(-c3ccncc3)cc2)cnn1-c1cccc(C#N)c1 439698862 XAQISXPAVQKDMV-UHFFFAOYSA-N 436.519 5.080 30 20 IKED CN(C(=O)N[C@H](CCC#N)c1ccccc1)[C@H]1CCSc2ccc(Br)cc21 440252710 GUQJYNSOJSSTGA-MOPGFXCFSA-N 444.398 5.672 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 441098979 VLCAODHYZJHVDH-IFXJQAMLSA-N 439.972 5.980 30 20 IKED CCN1CC[C@@H](N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C[C@H]1C 443914742 IIGXFIITWWKRKU-DYESRHJHSA-N 440.975 5.127 30 20 IKED O=C(CN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1Cl 444732261 JWGNWPSUELCOJB-OAHLLOKOSA-N 442.762 5.720 30 20 IKED N#Cc1ccc(CN(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)C2CC2)cc1 446356104 WKLCFUOELANAGU-GOSISDBHSA-N 425.813 5.328 30 20 IKED O=C(NCc1nc(C(F)(F)F)cs1)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 446423008 BPEGYPWIECTJCH-UHFFFAOYSA-N 449.323 5.146 30 20 IKED COc1cccc(CO[C@@H](C)C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)c1 460338950 NAGBEDUMGXOQMA-SFHVURJKSA-N 434.923 5.359 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl 461097804 GIOATMSFDUHTDF-GFCCVEGCSA-N 442.894 5.446 30 20 IKED C[C@]1(c2ccc(F)cc2)NC(=O)N(c2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1=O 461899932 KPZKJRAMETVIKD-HSZRJFAPSA-N 435.842 5.115 30 20 IKED N#Cc1ccc(CSCc2nc(-c3ccc4nc(-c5cscn5)[nH]c4c3)no2)cc1 463179135 ZAQYQEGUMHWSID-UHFFFAOYSA-N 430.518 5.041 30 20 IKED N#Cc1ccc(CN2CCC(NCc3nc(-c4cc5ccccc5o4)cs3)CC2)cc1 463281665 PSCDGVNLWFSRHE-UHFFFAOYSA-N 428.561 5.182 30 20 IKED C=CC[C@@H](CC)NC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 466530431 QTWMSZJLXNAHPK-SNVBAGLBSA-N 440.775 5.043 30 20 IKED CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc(C(F)(F)F)cs1 467620022 SYMWJOIFYGVSGS-QGZVFWFLSA-N 446.454 6.099 30 20 IKED C[C@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C(=O)c1cccc(F)c1 468413398 VITFAJIEPIVGJM-OPAMFIHVSA-N 434.898 5.982 30 20 IKED Cc1nnc(-c2cc(F)ccc2NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)o1 471393821 YFIXHEGXZLHKBT-UHFFFAOYSA-N 428.423 5.295 30 20 IKED CC(C)(C)c1cnc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)o1 472726585 DHGLBMRWEDFVLR-UHFFFAOYSA-N 438.915 5.398 30 20 IKED Cc1ccc2nc(COc3cccc(C(=O)[C@@H](C#N)c4nc(C(C)C)cs4)c3)cn2c1 474448023 RRBYANHQOZEURD-HXUWFJFHSA-N 430.533 5.292 30 20 IKED Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)csc1Br 475609366 RJXBPCNXIOOEIP-UHFFFAOYSA-N 441.350 5.716 30 20 IKED CCc1c(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cnn1C1CCCC1 475819616 GIMJSTQVTMNPEO-XMMPIXPASA-N 428.536 5.134 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N(C[C@@H]2CCN(Cc3ccccc3)C2)CC(F)(F)F)cc1 476191653 NBAYUUPAJLSKQD-HXUWFJFHSA-N 443.513 5.014 30 20 IKED COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2ccc(C(C)(C)C#N)cc2)c1 476324081 VOFBDIUFVTZZCF-UHFFFAOYSA-N 428.488 5.106 30 20 IKED C[C@@H](C#N)CSc1ccccc1NCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 476362998 GIKSALCUIAVHFL-MGPUTAFESA-N 448.419 6.021 30 20 IKED N#CCCN(Cc1cccnc1)C(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 479824879 WFCTWSIGTSPPCZ-UHFFFAOYSA-N 426.307 5.083 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCc2c(Br)cccc2[C@@H]1C 480592715 OFOHDRANGKEEHZ-GJZGRUSLSA-N 444.398 5.995 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N[C@H](C#N)c1cccc(Br)c1 480858390 SEYYYVOEURZWNS-LJQANCHMSA-N 432.277 5.108 30 20 IKED CCCN(C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@H]1CCCc2cccnc21 481282707 ZGLZEMAAMAUAIH-FQEVSTJZSA-N 434.931 5.114 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cnn1-c1ccccc1Cl 483251594 INOOXCUOGAEHOM-ZDUSSCGKSA-N 427.316 5.587 30 20 IKED Cc1cnccc1OC1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 487230032 XFUUBBVVKIXPPI-UHFFFAOYSA-N 429.545 5.097 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N(C)c1nc2ccccc2o1 488422701 VXEALDWMZPDTJF-UHFFFAOYSA-N 446.532 5.443 30 20 IKED CC[C@H](c1ccccc1)c1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)o1 488803409 ITHGRXFTCHTPAF-UKRRQHHQSA-N 438.578 5.153 30 20 IKED CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2Cl)c2cccs2)cc1 490358634 BRLTZMHLHRDOBY-OAQYLSRUSA-N 437.952 5.241 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)Cc3coc(-c4ccc(F)cc4)n3)c2)cc1 499410930 FRARZZWOERXIKH-UHFFFAOYSA-N 441.462 5.307 30 20 IKED CC(C)c1nc([C@H]2CCCCCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)no1 501364919 RPYREDCWXPKZNK-FUHWJXTLSA-N 427.574 5.736 30 20 IKED N#Cc1ccsc1NC(=O)COc1ccc(-c2nc3ccccc3s2)cc1Cl 501529115 FKJRJOVVLLIFSH-UHFFFAOYSA-N 425.922 5.567 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCOC[C@H]1c1nc2ccccc2s1 505338637 IAINLMLUGHQYLD-QAPCUYQASA-N 438.578 5.296 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1ccc(OCC)cc1 505566581 QSEUPDRWBIKZBP-AREMUKBSSA-N 427.548 5.668 30 20 IKED CC(C)[C@H]1CCC[C@H](NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)C1 505633117 KBWCIWDEKDTKHI-FPOVZHCZSA-N 435.593 5.234 30 20 IKED CC(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)cc1 508151933 RKCMPURWNRIJDY-QFBILLFUSA-N 444.000 5.229 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1ccc(SCCOC)cc1 509544872 RWFJSZJFNZDTLM-OAHLLOKOSA-N 425.019 5.599 30 20 IKED C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@@H](C)c1ccc(-c2ccccc2OC)cc1 517034311 YUMSQTISLNLMMH-AXHZCLLHSA-N 432.568 5.435 30 20 IKED Cc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c2cc(Br)ccc2n1 517517611 DFZOKWOAWOQCLX-CQSZACIVSA-N 440.366 5.952 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccccc3)C[C@@H]3CCCO3)cc2)c1 517530471 RRJGDYKESAFLMV-VWLOTQADSA-N 427.504 5.564 30 20 IKED COc1ccc(CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@H](C)C2CC2)cc1 517653533 KAWXIOGUTWYULO-GOSISDBHSA-N 427.504 5.195 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(C(=O)N4CCCCCC4)cc3)cc2)nc1 517654828 HNYSWORXEWOBFT-UHFFFAOYSA-N 440.503 5.014 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 518060918 LAAJMKFPIRXNNN-KRWDZBQOSA-N 447.878 6.243 30 20 IKED CC(C)c1ccc(C2(CNC(=O)C(=O)Nc3cccc(OCCCC#N)c3)CCCC2)cc1 519438775 VZOUEVXAPGGXIK-UHFFFAOYSA-N 447.579 5.059 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2nc3ccccc3s2)c1 520466849 ZFFOMNHZDAJTSL-UHFFFAOYSA-N 444.541 5.151 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(COc4ccccc4)CC3)c2)cc1 520603669 VRHVXHFDJXVSKM-UHFFFAOYSA-N 427.504 5.673 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCCOc1cccc2ccccc12 520817615 GWTTUMDHYKDFTJ-GOSISDBHSA-N 436.602 5.842 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 521741258 ABKVCVZQYXWVOM-VGSWGCGISA-N 446.576 5.112 30 20 IKED CN(C(=O)c1ccc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc1)c1ccccc1 533852017 CHUFWLILJNENGM-FQEVSTJZSA-N 438.314 5.265 30 20 IKED O=C1CCCN1C[C@H](NCc1ccc(F)cc1C(F)(F)F)c1cccc(C(F)(F)F)c1 538335683 MJPDLRWOCHORHT-SFHVURJKSA-N 448.382 5.317 30 20 IKED N#Cc1c(Cl)cccc1SCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 540046584 GRSHQYNMNZJSOX-INIZCTEOSA-N 427.938 5.336 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)cc1)C1CC1 540253881 YSIKJFLUPOCRKM-UHFFFAOYSA-N 438.531 5.058 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 540308110 MOYVSJNFYLJCPO-VXKWHMMOSA-N 429.923 5.049 30 20 IKED CC(C)CC(=O)Nc1ccc(NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cc1 542033459 VXNIKJIRYBUVKP-UHFFFAOYSA-N 436.903 5.026 30 20 IKED C=CCn1c(SCc2ccc(Br)c3cccnc23)nnc1-c1cccnc1 543151895 RFBRMGPBXGZHNI-UHFFFAOYSA-N 438.354 5.129 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@H](C)c2nc(-c3ccccc3)cs2)n(C2CCCC2)c1C 543515599 CISALRYTQNAHTF-QGZVFWFLSA-N 447.608 5.505 30 20 IKED C=C(C)Cn1c(C2CC2)nnc1N1CCC(c2nc(-c3ccccc3OC)cs2)CC1 549690919 OEMRHONRSUEXEW-UHFFFAOYSA-N 435.597 5.248 30 20 IKED CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CCCC3)c1 551462004 QEFQVYKLVRTUJH-UHFFFAOYSA-N 429.973 5.067 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(Oc2cncc(Cl)c2)CC1 552173480 WKPPLQRHUJXKIN-UHFFFAOYSA-N 433.895 5.083 30 20 IKED COc1ccc(-c2cc(C(=O)N(CCC#N)c3ccc(F)cc3)nn2-c2ccccc2)cc1 554286514 IZIMODWYVYITAP-UHFFFAOYSA-N 440.478 5.247 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(CC)cccc2CC)nnc1-c1ccccc1F 558026978 SDZCBUZPZAVJDN-INIZCTEOSA-N 438.572 5.514 30 20 IKED C[C@@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1nc(-c2ccccc2)cs1 564301551 UAFBSHTXSGHMTG-OAHLLOKOSA-N 436.606 5.301 30 20 IKED Cc1cc(N2CCCC2)ccc1NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 565648583 JYSAEDRYIAIMKK-UHFFFAOYSA-N 436.987 5.366 30 20 IKED C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H]1c1csc(C)n1 577682689 KXPIHEHXYHKPMR-AUUYWEPGSA-N 429.977 5.364 30 20 IKED C=CCn1c(-c2ccc3ccccc3c2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 578820996 XCMYRRVNRTYSEP-DRKIFQHWSA-N 430.577 5.219 30 20 IKED CC(=O)Nc1c(C)ccc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1C 586876847 QYKGMUVJFVDRMK-UHFFFAOYSA-N 438.959 5.032 30 20 IKED C=CCN(C(=O)Nc1c(CC)ccc(Cl)c1CC)[C@@H](C)c1cccc(-n2cnnn2)c1 596340812 FJJBGOZODCFSEC-INIZCTEOSA-N 438.963 5.222 30 20 IKED C=CCN(C(=O)c1oc2ccccc2c1COC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603459415 YMSHQHSEELROAB-UHFFFAOYSA-N 449.488 5.444 30 20 IKED N#C[C@@H](Cc1ccccc1)Sc1nc2ccccc2c(=O)n1CCCc1ccccc1 604076013 PMMNLWFMWOZRMM-JOCHJYFZSA-N 425.557 5.256 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)cn2)cc1 604517560 WGKUBKKTOUYZTK-UHFFFAOYSA-N 443.444 5.030 30 20 IKED Cc1ccc(C[C@@H](NC(=O)Nc2cccc(C#Cc3ccccn3)c2)c2ccccn2)cc1 605417159 GUMYCIYETLJZET-HHHXNRCGSA-N 432.527 5.290 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 608882651 ZUKLLOQKWGZPDW-UHFFFAOYSA-N 432.332 6.052 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2Cl)c1 609062763 GLIPTRZLNCYLGN-UHFFFAOYSA-N 430.813 6.062 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCc1nc(C(C)(C)C)cs1 609208119 YRASDLFDDWWTFL-UHFFFAOYSA-N 448.592 5.564 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)c1cc2ccccc2n1CC#N 609305185 AQLAQUWEZBNLIU-AWEZNQCLSA-N 434.952 5.741 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1cccc2ccccc12 609403631 MQIGPNFSJQUVCH-MBSDFSHPSA-N 443.572 5.394 30 20 IKED Cc1cc(Oc2ccccc2)ccc1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 609452049 IKECWNHJSUHPFD-UHFFFAOYSA-N 430.483 5.152 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)CC1 609508679 HVKGOSAEGSXLNY-NSKBAKJYSA-N 428.454 5.187 30 20 IKED CN(C(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1)c1cccc(C#N)c1 609784781 BFXOKUVDTQWUTF-UHFFFAOYSA-N 439.302 5.786 30 20 IKED CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 609902495 BODOLISMLMUSJZ-VLIAUNLRSA-N 440.956 5.157 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)c1C 610053467 FJZYESGNWGBYTI-CQSZACIVSA-N 426.442 5.512 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(Oc3nccs3)c2)cc1F 610313387 SENXVDCBNMCWII-UHFFFAOYSA-N 431.448 5.991 30 20 IKED CC(C)Oc1ccc(NC(=O)C(=O)Nc2cccc(Sc3ccccc3)c2)cc1C#N 615295448 CSINMINRICDKIC-UHFFFAOYSA-N 431.517 5.074 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 615683742 XIULMMHBKRLRTD-ZSHCYNCHSA-N 438.412 5.302 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)cc1 619209909 SYKSNOGQJNDQOJ-UHFFFAOYSA-N 445.371 6.275 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCOc3cccc(F)c3C2)cc1Cl 619787409 LBAGOLDNZSPUBY-IBGZPJMESA-N 435.886 5.561 30 20 IKED C=CCC[C@@H](NC(=O)NC1(c2noc(C(F)F)n2)CCC1)c1ccc(C(F)(F)F)cc1 644198420 VQQWCHOLTFSGKD-CQSZACIVSA-N 444.404 5.412 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(OCC(F)(F)F)c1 676249279 BPEWTRMPOAGREX-GHMZBOCLSA-N 437.302 5.267 30 20 IKED C=CCCC[C@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl 678894554 FRUZTFIITCOHCW-GAJHUEQPSA-N 437.971 5.023 30 20 IKED Fc1cc2ncnc(N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c2cc1Br 680830096 HPYMXHVDGQAZDZ-YUMQZZPRSA-N 446.164 5.099 30 20 IKED N#CCOc1cccc(/C=C2/SC(=S)N(c3ccccc3-c3ccccc3)C2=O)c1 725904142 FMGXECXXUKETLI-CJLVFECKSA-N 428.538 5.662 30 20 IKED CC[C@@H](c1ccccc1)c1nnc(S[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)o1 727690399 AEHJVICMAGTJQW-RXVVDRJESA-N 434.565 5.347 30 20 IKED O=C(/C=C/c1ccc(OCc2ccncc2)cc1)c1ccccc1I 727779895 AYKWLWDKXINHRJ-JXMROGBWSA-N 441.268 5.161 30 20 IKED CC(=O)N(c1ccccc1)c1nc(C=NNc2ccc(Br)cc2F)cs1 728432889 HGFLORSNVIQKGK-UHFFFAOYSA-N 433.306 5.175 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)cc1 728738254 NEVLMSYBUKVORC-IFMALSPDSA-N 439.437 5.216 30 20 IKED C#Cc1cccc(N(CC(=O)N[C@@H](c2ccccc2)c2nccs2)Cc2cccs2)c1 731029719 DRKZRTJLWJLJHW-DEOSSOPVSA-N 443.597 5.098 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(c2ccc(C)c(F)c2)C(=O)N[C@H]1c1cscn1 731433680 JSOJTWYBTAZZMR-FQEVSTJZSA-N 441.915 5.515 30 20 IKED O=C(/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(C(F)(F)F)nc1O 731563327 PFOLDZUTPLQKPG-QHHAFSJGSA-N 428.193 6.269 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1COc1cccc(C=O)c1 731639258 QXPMUDIABHZVHU-SFHVURJKSA-N 430.529 5.582 30 20 IKED Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(F)c1 732377350 JQNVASIPQFCWQU-KRWDZBQOSA-N 432.451 5.177 30 20 IKED Fc1ccccc1Nc1nn(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)c(=S)s1 735301162 DQWZFOYALGZSNP-UHFFFAOYSA-N 446.417 5.331 30 20 IKED CC(=NN=c1cc(C(F)(F)F)[nH]c(-c2ccncc2)n1)c1cc2cc(Cl)ccc2o1 735978522 HGAPQZGRVLPLGA-UHFFFAOYSA-N 431.805 5.215 30 20 IKED Cc1cc(CSc2ncccc2C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)no1 739600060 SCTINWKCVQUCGS-UHFFFAOYSA-N 446.557 5.201 30 20 IKED C=CCn1c(S[C@H](C(=O)OC)c2ccc(C#N)cc2)nnc1-c1ccc(C(C)(C)C)cc1 741736619 NEAPQSGHPUETGC-NRFANRHFSA-N 446.576 5.307 30 20 IKED Cc1c(C(=O)/C=C/c2cccc(OCc3cccc(C#N)c3)c2)cnn1-c1ccc(C#N)cc1 741843928 JSRDSSQGOOERQD-JLHYYAGUSA-N 444.494 5.399 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(NC(=O)OC(C)(C)C)cc1 742361102 KVCLZXYHCDULMO-MRXNPFEDSA-N 441.553 5.445 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)/C=C/c3ccc(Oc4cnccn4)cc3)s2)cc1 743055675 INTIYJUJGBZAJA-LFYBBSHMSA-N 429.501 5.606 30 20 IKED COc1ccc(C[C@H]2CCCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)C2)cc1 743095498 KUVBQELJKYKQSK-AMGIVPHBSA-N 439.559 5.837 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)N[C@H](C)c1cc2ccccc2o1 743475681 WNTDXGSOMBBUEI-RTBURBONSA-N 439.515 5.561 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 747205360 UBGQQMONPZXRCR-KRWDZBQOSA-N 433.826 5.248 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)cc1 747375332 DULBXLSPZIOVJA-DNVJHFABSA-N 431.333 5.847 30 20 IKED N#CCOc1ccccc1C(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 748639859 AUPWLLODQVCICY-UHFFFAOYSA-N 426.303 5.133 30 20 IKED N#C[C@H](C(=O)CN1CCC(Sc2ccc(Cl)cc2)CC1)c1nc2ccccc2s1 749516418 VDCWNBAAZYUORN-GOSISDBHSA-N 442.009 5.383 30 20 IKED CCN(Cc1cccc(NC(=O)c2cccc(C(F)(F)F)c2F)c1)C(=O)C(F)(F)F 750819095 LKRJZFWPVYFXHR-UHFFFAOYSA-N 436.327 5.008 30 20 IKED CCOC(=O)Nc1ccc(N[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc1C#N 752799911 PHXRTEYXUFCCTM-HSZRJFAPSA-N 428.492 5.227 30 20 IKED O=C1COc2ccc(C(=O)/C=C\c3nc(-c4cc(Cl)ccc4Cl)cs3)cc2N1 753897459 UVRRDKISXAKJJT-XQRVVYSFSA-N 431.300 5.344 30 20 IKED C/C(=C/c1cccc(Cl)c1)C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 758890852 SQLUNTBTMJLOJT-CCAPLTMGSA-N 428.941 5.177 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](OC3CCOCC3)c3ccccc3)n2)cc1 759213399 MTQNBPORNLTNQX-QPPBQGQZSA-N 432.545 5.232 30 20 IKED N#CCCN(C(=O)CNc1ccc(Oc2ncc(Cl)cc2Cl)cc1)c1ccccc1 759769439 BCLNDZUGEPJOPL-UHFFFAOYSA-N 441.318 5.539 30 20 IKED Cc1ccccc1C(NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1ccccc1C 760895562 WDMLEUSPJPCAIM-QHCPKHFHSA-N 432.527 5.220 30 20 IKED CN(C(=O)Nc1ccc(F)cc1OCC#N)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 761669980 LSSVUZZKMMGAFP-JOCHJYFZSA-N 441.865 5.774 30 20 IKED CC(C)[C@@H](NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)c1cccc(C(F)(F)F)c1 761681328 SKKUQTVKSKCPRL-NHCUHLMSSA-N 431.458 5.057 30 20 IKED N#Cc1c(F)ccc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)c1Cl 761766734 NCZLVBQRPYDHBU-UHFFFAOYSA-N 426.691 5.087 30 20 IKED CC(=NNc1ccc(-n2ccnc2)nn1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 761830770 JMGQQIXWEVDUHA-UHFFFAOYSA-N 428.443 5.246 30 20 IKED N#Cc1ccc([C@@H](O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1 763233225 QQXIRIFQGYBSMR-FQEVSTJZSA-N 435.599 5.681 30 20 IKED COc1ccc(-c2nc(S[C@@H](C)c3cccc(Br)c3)nc(O)c2C#N)cc1 768289226 SVQBEFYJEFZVQL-LBPRGKRZSA-N 442.338 5.345 30 20 IKED Cc1ccc(Cc2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cs2)cc1 768780776 BNHAXGRLMBLJLJ-OAHLLOKOSA-N 444.343 5.310 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C(C)(C)C(F)(F)F)cc2)cc1Cl 774052943 NDGCJKHIHFCVKB-OAHLLOKOSA-N 438.833 5.150 30 20 IKED O=C1/C(=C\c2csc(-c3ccc4c(c3)OCO4)n2)CCc2ncc(C(F)(F)F)cc21 777466408 CMWJCQSIILLLHF-WZUFQYTHSA-N 430.407 5.165 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)O[C@@H]([C@@H]2CCOC2)C(F)(F)F)c1 778038233 KIJYDCOZXUSMLX-ACJLOTCBSA-N 425.790 5.128 30 20 IKED Cc1nc(/C=C\c2scnc2C2CC2)sc1C(=O)/C=C/c1scnc1C1CC1 782329394 MOIGAAUDYRYXFK-MUIOLIGRSA-N 425.604 6.186 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 784460270 WVQVDOFPGFWXGL-SFHVURJKSA-N 449.551 5.344 30 20 IKED C[C@@H](NC(=O)[C@H](C#N)C(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1Cl 787048705 HAVNCYOWBBTTAW-MEBBXXQBSA-N 429.225 5.212 30 20 IKED COc1ccc2c(c1)CN(C(=O)Nc1ccccc1O[C@@H](C)C#N)[C@H](C1CCCCC1)C2 787434968 XRDZHDJERVHGDL-UUOWRZLLSA-N 433.552 5.525 30 20 IKED C[C@H](Oc1ccc(Cl)cc1Br)C(=O)[C@@H](C#N)c1nccc2ccccc12 792103220 RKXRVOVYGKCTGG-LRDDRELGSA-N 429.701 5.294 30 20 IKED CC(C)(C)OC(=O)NC1CCC(=NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)CC1 794979631 LLTKJBRUFIKBMR-UHFFFAOYSA-N 449.477 5.398 30 20 IKED CCOC(=O)Oc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 799933993 IWXUXXAKVILJTR-UHFFFAOYSA-N 438.427 5.499 30 20 IKED Cc1ccnc2ccc(C(=O)[C@H](C#N)C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)cc12 802799840 MJEJTNWLEFASEH-ACJLOTCBSA-N 426.303 5.050 30 20 IKED C[C@@H](NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1nc2ccccc2s1 804379884 QMQVHHKXNVFMAI-OAHLLOKOSA-N 438.984 5.305 30 20 IKED CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)C[C@@H](CC#N)c3ccccc3)cccc21 805307885 SXQBSPJUCYZAIM-HXUWFJFHSA-N 433.552 5.078 30 20 IKED O=C(Nc1cccc(/C=C2/C[C@@H](C(=O)O)c3ccccc3C2=O)c1)c1ccc(Cl)cc1 806559347 AKACADCMHAKRLO-TWMGVTGTSA-N 431.875 5.431 30 20 IKED C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)[C@@H](O)c1ccccc1 808827817 WSTKEFGSBFUNFN-QMHKHESXSA-N 435.911 5.034 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@@]1(C)CNC(=O)OC(C)(C)C 809877448 MGRDNFPPRYPOEE-SEPYTNNBSA-N 446.617 5.095 30 20 IKED N#CCOc1cccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 810532190 PDMKMGPLRQRIQY-KRWDZBQOSA-N 442.327 5.438 30 20 IKED N#Cc1csc(/C=C2/CCc3nc(-c4ccc(Br)cc4)sc3C2=O)n1 811690180 WOPSSNOLOHNBNJ-XFFZJAGNSA-N 428.336 5.113 30 20 IKED C[C@H](NC(=O)C=C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 816041966 GIDOTEHPDZCEMG-IBGZPJMESA-N 445.563 5.360 30 20 IKED CCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1OC 838527385 QBHVNBWQHBAROJ-OAQYLSRUSA-N 439.581 5.072 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2Cl)o1)c1nc(-c2ccccc2)cs1 915101555 DUXGYJMWKLOYCT-KRWDZBQOSA-N 433.920 5.928 30 20 IKED C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12 916917402 GTLVOHQJCLOWMI-CXAGYDPISA-N 427.287 5.261 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(CSc2ccccc2)cc1 916919704 ZDFIOHNMRMBKKH-DEOSSOPVSA-N 436.536 6.093 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc2c1O[C@H](C)C2 917043727 NYABFXFQKORGAJ-QMTHXVAHSA-N 432.423 5.137 30 20 IKED Cc1cc(CSc2ccccc2C(=O)Nc2sc3c(c2C#N)CCCCCC3)on1 917782797 BUGHHNJOJISCIT-UHFFFAOYSA-N 437.590 6.120 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(CC(=O)NC3CCCC3)CC2)cc1 920059979 BWAXYXPRYIMIGE-RUZDIDTESA-N 444.579 5.035 30 20 IKED N#Cc1ccc(NC(=S)/C(=C(/O)c2cccs2)[n+]2cc(O)cc(Cl)c2)cc1Cl 1339344318 CIGXEBSOOJQLJJ-UHFFFAOYSA-O 449.364 5.243 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ncc(Cl)cc4Cl)CCC3)cc2)C1 1785803252 GGVDRYAXMVNINU-UHFFFAOYSA-N 430.335 5.102 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cc4cc[nH]c4cc3Cl)cc2)CCC1 1789074580 GSRXHNJUZQJELV-UHFFFAOYSA-N 434.927 5.119 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccn4cncc4c3)cc2)CCC1 1789346054 QHIPLCRGUGSNDM-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OCC4CC4)cc3)CCC2)cc1 1791584946 NRBLUSGOAMLETR-UHFFFAOYSA-N 430.548 5.027 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)cc2)[C@H]1c1cccnc1 1811907576 NBGAFIQZHOYIAF-IFMALSPDSA-N 439.987 5.047 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cccc(C)c2)[nH]n1 1819303727 ZYOLMCJKYBPCFK-FYYLOGMGSA-N 434.584 5.111 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C(C)=C/c2cccs2)CC1 1823718213 WOFZHRVHPHNFQI-VYQUXUJXSA-N 440.653 5.540 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CNc2ccccc2C)CC1 1823753027 RZEUCCXAFOJUGO-DEOSSOPVSA-N 439.644 5.019 30 20 IKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(C)(C)C)s3)CC2)C1 1827907139 MIHXIUUSEHRPOK-HXUWFJFHSA-N 428.642 5.245 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2oc3ccccc3c2C)CC1 1828129003 ONAZPEOFPYISAY-VWNXMTODSA-N 448.607 5.743 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc(C(C)C)cs2)CC1 1829065771 AWHARXVGEOYILF-OAQYLSRUSA-N 445.673 5.492 30 20 IKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 1829976115 NFSOXUJRUSPSDO-QFIPXVFZSA-N 449.422 5.420 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(OCC)c2)CC1 1830108669 JRQLFQMWVGZTEE-DQEYMECFSA-N 438.612 5.087 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)Oc2ccccc2)CC1 1830405494 FHEHKLCCLSUHKT-QPPBQGQZSA-N 440.628 5.066 30 20 IKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)CC1 1830423770 XXFPMJXECGCHRO-NFBKMPQASA-N 447.664 5.014 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(N3CCCCC3)cc2)nnc1-c1ccccc1C 9928930 NXZJIPFQDDGKPR-UHFFFAOYSA-N 447.608 5.161 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)n1 11208136 OGBBBTAHAFANHI-MRVPVSSYSA-N 435.258 5.102 30 20 IKED CCn1c(S[C@H](C)C(=O)NC2(C#N)CCCCC2)nnc1-c1ccc(C(C)(C)C)cc1 60383431 GMOFXSCVJVBCEA-QGZVFWFLSA-N 439.629 5.086 30 20 IKED N#Cc1ccccc1N1CCCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)CC1 60663848 GZBCQCBRYSEOCS-UHFFFAOYSA-N 444.585 5.249 30 20 IKED CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1 62881565 UIXNTAHUFRUXNF-KRWDZBQOSA-N 444.556 5.313 30 20 IKED C=CCN(Cc1nc(-c2cccs2)oc1C)S(=O)(=O)c1cccc(C(F)(F)F)c1 105545576 SEOMFTHRXIUKRC-UHFFFAOYSA-N 442.484 5.107 30 20 IKED COc1ccc(Cl)cc1NCCC(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 109339050 VNDBGGBGSGFIBZ-UHFFFAOYSA-N 436.899 5.157 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 109909854 ISUGXPLKALAEGB-UHFFFAOYSA-N 434.353 5.246 30 20 IKED C[C@@H](NC(C)(C)CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1 303367874 IZAWUCXGQAPURW-HXUWFJFHSA-N 443.616 5.710 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1-c1ccc(-c2ccccc2)cc1 410037489 HQIATJCJTIWIQW-UHFFFAOYSA-N 447.538 6.181 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N2CCC(F)(c3ccccc3OC(F)(F)F)CC2)cc1 410174132 PGZGMTNZSYXRQA-UHFFFAOYSA-N 434.433 5.487 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[C@@H](C#N)c3nc4c(C)ccnc4[nH]3)cc12 429567763 YHANXQVHBCIVEQ-MRXNPFEDSA-N 446.923 5.119 30 20 IKED COc1ccc(C[C@@H](NC(=O)c2cccc(SCC#N)c2)c2ccccc2)cc1OC 429784288 ISXNCUYYCGBWEV-JOCHJYFZSA-N 432.545 5.033 30 20 IKED COCCCOc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 431112121 AASRFPVYWBBYDP-UHFFFAOYSA-N 447.510 5.347 30 20 IKED COC(=O)C[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)c(F)c1 434211046 FAWKZYMEULFFGZ-UGSOOPFHSA-N 449.935 5.299 30 20 IKED Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)c12 437465375 ZXWHTWFZBWUPBJ-UHFFFAOYSA-N 441.466 5.210 30 20 IKED CO[C@@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1cccc(Cl)c1 437977939 NPVSLUYENUXDDX-DEOSSOPVSA-N 449.938 5.608 30 20 IKED Cc1ccc(C[C@@H](NC(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccccn2)cc1 438063129 GZNBBVGOBZNKQE-AUSIDOKSSA-N 430.577 5.747 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(CCC(F)(F)F)CC2CC2)cc1Cl 438627398 AMVDXDSYLKEUAM-LJQANCHMSA-N 435.877 6.192 30 20 IKED N#Cc1ccc(Cl)c(NC(=O)C(=O)Nc2cccc(CSCc3ccccc3)c2)c1 440897127 UQRVGZVPAHBGNF-UHFFFAOYSA-N 435.936 5.222 30 20 IKED Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)NCC1CCC(C#N)CC1 441148358 NVPIWPZVZNLHEL-UHFFFAOYSA-N 426.358 5.243 30 20 IKED CC(C)(C)n1cc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c(-c2ccc(F)cc2F)n1 442613124 ARFPBHSNNRWCPQ-OAHLLOKOSA-N 448.395 5.487 30 20 IKED COc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)sc(C)c1Br 442683616 WFYMZLSKNUWMNV-SECBINFHSA-N 440.269 5.063 30 20 IKED C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)c1cccc(C#N)c1 442900172 LTMMGNYIPJOAON-LPHOPBHVSA-N 429.549 5.330 30 20 IKED C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2cn(CCCC#N)c3ccccc23)C1 443949302 PDJWCUBFLGHCDV-PMACEKPBSA-N 442.563 5.315 30 20 IKED CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2c(F)cc(C#N)cc2F)c1 445714237 OUTKFTGXASQNMY-INIZCTEOSA-N 433.458 5.198 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)Nc2cccc(C(C)C)c2)cc1 446510620 AQDRSPFVTGXDJP-UHFFFAOYSA-N 429.476 5.060 30 20 IKED Cc1cc(F)cc2c(N3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)c(C#N)cnc12 462800501 FPCVTJVEPTXJBP-INIZCTEOSA-N 431.446 5.127 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@H](COCc3ccccc3)C2)cc1 464801790 JRUOMMGLDKRSQE-QHCPKHFHSA-N 426.516 5.338 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCO[C@@H](c4cccc(Cl)c4)C3)c2)c1 466308914 RBMVMZUOOWPWBQ-XMMPIXPASA-N 432.907 5.004 30 20 IKED N#Cc1cccnc1Oc1ccccc1NCc1ncc(-c2ccc(Br)cc2)o1 467270952 GPQGVGGQBUIYPV-UHFFFAOYSA-N 447.292 5.775 30 20 IKED C[C@H](NC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1nc(C(F)(F)F)cs1 470566316 OXKUNWISBYNDDZ-QMMMGPOBSA-N 426.357 5.229 30 20 IKED CC(=O)Nc1cc(C(=O)Nc2cc(F)cc(NCC(F)(F)F)c2)cc(C(F)(F)F)c1 473241616 PNNCWLJONYIZQL-UHFFFAOYSA-N 437.315 5.029 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@@H]1c1nc2ccccc2o1 474223545 RICZEJSPQPLGMI-YLJYHZDGSA-N 434.565 5.388 30 20 IKED C[C@H](Oc1cccnc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 475099429 PCQAUMIEAMUHFS-IBGZPJMESA-N 442.519 5.169 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 475186747 MSZINOQCSWNNTM-UHFFFAOYSA-N 435.568 5.409 30 20 IKED Cc1ccc(Br)c(OCC(=O)Nc2ccccc2S[C@H](C)CC#N)c1F 478825013 IVNGWFMDGSUIJG-CYBMUJFWSA-N 437.334 5.308 30 20 IKED CC(C)CN(C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@@H]1CCCc2cccnc21 480221429 UFHZXILSSZBDLO-LJQANCHMSA-N 446.473 5.462 30 20 IKED Cc1ccc([C@H]2COCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)o1 480278459 NKOUAUFPABLVBW-HXUWFJFHSA-N 437.883 5.511 30 20 IKED C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 480306128 JOWIXYQWWZMSSY-OXJNMPFZSA-N 431.458 5.526 30 20 IKED C=CCC[C@H](C(=O)N1CCC(c2noc(-c3ccccc3OC)n2)CC1)c1ccccc1 481191859 PIJYHYRXSFNBAL-NRFANRHFSA-N 431.536 5.201 30 20 IKED CCOc1ccc(-n2c(SCc3cc(C#N)ccc3F)nnc2-c2ccccn2)cc1 481368171 FRHZCRHEJSNOED-UHFFFAOYSA-N 431.496 5.031 30 20 IKED COc1ccc([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1F 481657513 LYHFGNOHLPDISB-OAHLLOKOSA-N 437.446 5.307 30 20 IKED Cc1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cnn1-c1ccccc1Cl 482216522 VZBPHMBOMKZVRE-UHFFFAOYSA-N 442.906 5.537 30 20 IKED C[C@H](c1c(F)cccc1F)N(C)C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 482369520 GQWGEAMWJFSTOC-HWPZZCPQSA-N 438.343 5.572 30 20 IKED COc1cc([N+](=O)[O-])c(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1SC 483010105 GTHHAEBOHHKUEH-UHFFFAOYSA-N 425.491 5.178 30 20 IKED CCOc1ccc(N(C(=O)C[C@@H](CC#N)c2ccccc2)c2nc3ccccc3s2)cc1 483073619 MBQALYCIQHZKJK-HXUWFJFHSA-N 441.556 6.447 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4cnc5ccccc5n4)cc3)o2)c1 483209406 BIRCFJXZEJLGIG-FQEVSTJZSA-N 431.455 5.145 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@H](C)Cc1ccc(O)cc1 483345773 SVYKFSMAAWACEF-LJQANCHMSA-N 429.520 5.246 30 20 IKED C=CCSc1ccccc1C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 485474496 KOEDHCJCQBWILB-UHFFFAOYSA-N 429.607 5.465 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)s1 487489709 VLBKCCKVXABELZ-UHFFFAOYSA-N 433.386 5.282 30 20 IKED C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 488021921 FMPWNQAGJZNANN-IQGLISFBSA-N 441.506 5.134 30 20 IKED Cc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)cc1 488382072 UWFSCZBJIQURQL-BWKNWUBXSA-N 439.559 6.050 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1cccs1 489402375 FQBGLZXEKNOQTG-MRXNPFEDSA-N 426.611 5.744 30 20 IKED Cc1c(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)sc2ccc(Br)cc12 492948757 YUNGBUGVGDDECE-SFHVURJKSA-N 441.350 5.058 30 20 IKED COc1cc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc(OC)c1C(C)C 494476977 WAKZMTQBOXMQPD-UHFFFAOYSA-N 446.551 5.474 30 20 IKED CCN(C(=O)COc1ccc(C#N)cc1OC)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 496537035 QRWJGTXKWWLMPK-MHZLTWQESA-N 443.547 5.102 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 498846292 HVOKUTJPBWMZIB-HSZRJFAPSA-N 434.442 5.040 30 20 IKED Cn1c([C@H](C#N)C(=O)c2cccc(NC(=O)CCCc3cccs3)c2)nc2ccccc21 502700437 BQACCNDHMNUVJM-HXUWFJFHSA-N 442.544 5.086 30 20 IKED Cc1cc(C(=O)Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)c(C)n1CCc1cccs1 502818355 PUVFRKBQCVKZTO-UHFFFAOYSA-N 449.963 5.132 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)COc1ccccc1OCc1ccccc1 503149210 CSHWOLFCDXIFHG-UHFFFAOYSA-N 438.483 5.342 30 20 IKED C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(c2nc(C)no2)CC1 508734231 PYVKNKWGIQLFIB-UHFFFAOYSA-N 440.960 5.075 30 20 IKED C=CCn1c(CSc2ccccc2OC)nnc1N(C)Cc1ccccc1N1CCCC1 508943923 AGSBIVZIQSTXLC-UHFFFAOYSA-N 449.624 5.002 30 20 IKED C=CCn1c(CCCc2cccs2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 509009839 FQUFIKNLIJRXHX-UHFFFAOYSA-N 438.441 5.022 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 511696160 UDCIHBUFEBPGBH-CQSZACIVSA-N 430.455 5.538 30 20 IKED C=C(C)CN(Cc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1)Cc1ccc(CO)o1 512196195 NLFHYNQGOXXXRF-UHFFFAOYSA-N 445.972 5.145 30 20 IKED C[C@H](Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)C(=O)Nc1cccc(C#N)c1 512217782 ICLNJSVTVFLBAK-AWEZNQCLSA-N 426.398 5.203 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC(CCc4ccc(O)cc4)CC3)s2)cc1 514542781 KPPVTLPXMGWPNR-UHFFFAOYSA-N 446.576 5.188 30 20 IKED COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)N(C)C[C@@H](C)C#N)cc1 519366685 LHVLELQCXORBRN-XTFSCAMASA-N 425.532 5.352 30 20 IKED C=CCN(CCc1ccccc1)C(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 519507486 ALNSANHFIXIDHF-UHFFFAOYSA-N 431.511 5.018 30 20 IKED COc1ccc(OC)c(CN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)C2CC2)c1 520854455 RMCNIQJMJWRHMR-INIZCTEOSA-N 425.554 5.152 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 521016797 YBFLMPXZPLGZIN-UHFFFAOYSA-N 440.421 5.522 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 521714999 OQFOQJKYKFZCJI-IBGZPJMESA-N 445.903 5.026 30 20 IKED COCCSc1ccc([C@@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 521746286 FFHGIBCTWAJRPC-IAGOWNOFSA-N 429.611 5.560 30 20 IKED CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 521930408 ORIJALCRKFCNAP-IBGZPJMESA-N 441.531 5.003 30 20 IKED C=CCn1c(SCc2ncc(C)c(OC)c2C)nnc1-c1ccc(Br)cc1 524030498 BJOCNXHWKJISCY-UHFFFAOYSA-N 445.386 5.206 30 20 IKED CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 524387664 PUVUOFKZFKLDQL-UHFFFAOYSA-N 447.922 5.637 30 20 IKED COc1ccc(Cl)cc1CN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 524439008 BTHDVJQFKZWRFF-UHFFFAOYSA-N 449.938 5.772 30 20 IKED COc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c(OC)c1OC 525209446 RVINXKJTHYHXBM-UHFFFAOYSA-N 438.867 5.282 30 20 IKED C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 532687240 DCXKAIQXWVNGLQ-HSZRJFAPSA-N 437.952 5.299 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3cccc(OCc4cccnc4)c3)cc2)cc1 536113588 PFHHQCWDGKLJCJ-UHFFFAOYSA-N 435.483 5.506 30 20 IKED C[C@@H](NC(=O)NCc1ccc(-c2ccccc2C#N)cc1)c1ccc(NC(=O)C2CC2)cc1 539171310 FIBUDOACVYQOKB-GOSISDBHSA-N 438.531 5.134 30 20 IKED N#Cc1ccc(CN2CCC(Nc3cccc(C[S@](=O)Cc4ccccc4)c3)CC2)cc1 540974615 RYNDOWLZSWTLPJ-JGCGQSQUSA-N 443.616 5.084 30 20 IKED C[C@H](Nc1nc(O)c2cnn(-c3ccccc3)c2n1)c1ccc(-c2cccc(C#N)c2)cc1 541108171 DTFPATJTMWYOQB-KRWDZBQOSA-N 432.487 5.233 30 20 IKED CC(=O)N[C@H](CC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc(Cl)cc1 542001975 YKYDZSKCPKPTLM-SSOJOUAXSA-N 445.950 5.323 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)CC1 548774923 XWPPLHQGCIJLBM-HSZRJFAPSA-N 449.913 5.078 30 20 IKED Cc1cc(Cl)c2ncc(C#N)c(N3[C@H]4CC[C@H]3CC(N(C)C(=O)c3ccccc3)C4)c2c1 548987717 RTRYTTOHNWKGLC-PMACEKPBSA-N 444.966 5.340 30 20 IKED C[C@H](CC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1cccc(C(F)(F)F)c1 557122218 QANQEURUBWYWDW-OAHLLOKOSA-N 434.433 5.280 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(CN2CCCCCC2)c1 557580995 CYWUDMNIYFFVKE-HXUWFJFHSA-N 436.625 5.636 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)[C@]3(Cc4ccccc4)C[C@H]4CC[C@H]3C4)CC2)c(F)c1 557663488 TUXZXDXYCDHYDM-DVBNTOJCSA-N 432.539 5.116 30 20 IKED C=CCn1c(S[C@@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)nnc1-c1ccccc1C 558844214 XOMMZLPMCHDXGR-DYESRHJHSA-N 436.556 5.033 30 20 IKED N#CCC1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@@H]2CCCO2)CC1 559100378 JCVZDAIHYGKHES-INIZCTEOSA-N 441.988 5.122 30 20 IKED CC(C)(CCC#N)CNC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 568316321 VCVRBRFLZPDZLK-UFTDPOHCSA-N 438.456 5.555 30 20 IKED COc1ccc2ccccc2c1-c1cc(CNCc2ccc(C#N)cc2C(F)(F)F)on1 571964243 AZPYFGVYRYWSEP-UHFFFAOYSA-N 437.421 5.684 30 20 IKED C=C(C)Cn1c(-c2ccc(OCCC(C)C)c(OC)c2)nnc1N1CCC(CC#N)CC1 576609334 KYIRGIQUXTVMIL-UHFFFAOYSA-N 437.588 5.085 30 20 IKED COc1ccc(-c2ccc(C(=O)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c(F)c2)cc1 592609661 GDEUZFMLZWCWCP-HUUCEWRRSA-N 449.366 5.704 30 20 IKED N#C[C@H](C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2cc(F)ccc2s1 592974419 RYKUYVZXBVGPOQ-GFCCVEGCSA-N 432.320 5.963 30 20 IKED N#C[C@H](C(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1nc2cc(F)ccc2s1 592974451 XOHRBBLTRMPWPX-MRXNPFEDSA-N 444.516 5.840 30 20 IKED N#CCCCOc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c1 603972399 BPCLERZDFDDSMD-NRFANRHFSA-N 441.531 5.013 30 20 IKED COc1cccc(C[C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 604365091 CMISWJPVIFVWDD-QFIPXVFZSA-N 441.531 5.907 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C[C@@H](C)NC(=O)C1CCCCC1 608936038 OEGRPXOYSAFFNQ-LJQANCHMSA-N 435.543 5.014 30 20 IKED N#C[C@H](NC(=O)c1ccc(Oc2cccnc2)cc1)c1ccc(OCc2ccccc2)cc1 609028596 HVMFACQYKGTPQG-SANMLTNESA-N 435.483 5.448 30 20 IKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)Nc1ccccc1SC[C@H](C)C#N 609376824 KEYPQIALAUXYJJ-CYBMUJFWSA-N 442.382 5.672 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1 615485715 PDRHBBNFWGXKGQ-UHFFFAOYSA-N 447.510 5.697 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC34CCC(C(F)(F)F)(CC3)CC4)cn2)c1 618747312 YQUHHFNFKLWGHZ-UHFFFAOYSA-N 430.430 5.522 30 20 IKED CC(C)N(Cc1ccc(NC(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1)C[C@@H]1CCCCO1 618765557 KRAKKSGGMFWROS-AHWVRZQESA-N 446.595 5.147 30 20 IKED C[C@H](CC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 619620674 JOAQUKIPICLTIV-RABLLNBGSA-N 449.357 6.225 30 20 IKED N#C[C@@H](C(=O)c1ccccc1Oc1cccnc1)c1nc(-c2c(F)cccc2F)cs1 623036508 QRDARNSXLNUROI-INIZCTEOSA-N 433.439 5.766 30 20 IKED O=C(Nc1ccc(OC(F)F)c2cccnc12)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 681485563 STIVQNQGDCZAEK-UWVGGRQHSA-N 443.294 5.041 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 682782976 YCYQVTOTJFOAEN-WIOPSUGQSA-N 434.580 5.103 30 20 IKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)n1 726655932 XLGFCVZOERDXAA-HNNXBMFYSA-N 430.938 5.175 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(C)c(-c2ccc(F)cc2)s1 726732257 CSUGBUXFRJXOJZ-FQEVSTJZSA-N 434.536 5.949 30 20 IKED CCN(C[C@H](C)C#N)Cn1nc(COc2ccccc2Cl)n(-c2ccccc2)c1=S 726964180 VPOBZGLERBZBCY-QGZVFWFLSA-N 441.988 5.075 30 20 IKED C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 727232452 KSWINUJCHJFTKL-CJNGLKHVSA-N 441.434 5.344 30 20 IKED N#Cc1ccc(CNC(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc1 729041879 PUPOHEZBILGXFZ-UHFFFAOYSA-N 438.409 5.151 30 20 IKED CC[C@H](C)Oc1ccccc1/C=C/C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 729893134 YZQCFTAEAXYQCM-MKBCQXKVSA-N 432.545 5.886 30 20 IKED N#C[C@H](NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc(Cl)c(Cl)c1 731645360 KHMAXCSFPFOXTF-INIZCTEOSA-N 439.224 5.193 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 732377495 OLQQSXLNCOKXCK-UHFFFAOYSA-N 442.515 5.772 30 20 IKED C[C@H](Oc1ccccc1Br)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 732733442 KKVJQUGZBSUIKE-OXJNMPFZSA-N 435.321 5.511 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 733031705 NAVCPQDHELTUTP-XMMPIXPASA-N 433.458 6.306 30 20 IKED CCc1c(C(C)=NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)oc2ccccc12 733080848 DARWUTOEYPHHJL-UHFFFAOYSA-N 425.414 5.702 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OC 733229922 JBMFBCHIQNCBID-IXDOHACOSA-N 433.335 5.103 30 20 IKED C=CCNC(=O)Nc1ccc(NCc2c(C)nn(-c3ccc(Cl)cc3)c2Cl)cc1 734157861 ZUHNTCILAPTHSE-UHFFFAOYSA-N 430.339 5.407 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F 734964719 ZOOGYBBPYVIVMY-BZSNNMDCSA-N 432.426 5.208 30 20 IKED N#CCOc1ccc(Cl)cc1CSCc1csc(COc2ccc(F)cc2)n1 735318350 LVODQBYZHHGAQM-UHFFFAOYSA-N 434.945 5.850 30 20 IKED C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 739155316 PBNJRAIUOSCHRN-XHDPSFHLSA-N 443.252 5.538 30 20 IKED O=C(/C=C\c1ccc(SC(F)(F)F)cc1)c1ccc(S(=O)(=O)CC(F)F)cc1 741851906 FJELUZUDXJLITF-KMKOMSMNSA-N 436.423 5.233 30 20 IKED COc1ccc([C@H](NC(=O)NCc2ccc(OCC#N)cc2)c2ccccc2Cl)c(C)c1 743583203 OXWZFDKTQKROFT-DEOSSOPVSA-N 449.938 5.148 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1Cl 744033912 YPZZIHAJXJVFCF-OWCLPIDISA-N 437.710 5.106 30 20 IKED N#C[C@@H]1C(CN(Cc2c(Cl)cccc2Cl)C2CC2)=CC(=O)n2c1nc1ccccc12 746134111 PZGXKTOTAYQDEA-MRXNPFEDSA-N 437.330 5.195 30 20 IKED C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccc(Cl)c(Cl)c1 747108002 KUKOJHIECDSPMO-YGRLFVJLSA-N 443.302 5.759 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(Cl)c(C(F)(F)F)c1 747204006 GOVZUKZMOBWSJU-LLVKDONJSA-N 445.224 5.290 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)cc1 747975764 BTDMHBAMBNPZLF-FTJBHMTQSA-N 443.522 5.694 30 20 IKED N#C[C@H](C(=O)CCc1cc(Cl)ccc1Br)c1nc(-c2ccncc2)cs1 751150865 CFGIXXKJDSVMQF-OAHLLOKOSA-N 446.757 5.430 30 20 IKED CC(C)(C)OC(=O)N1CCC(n2cc(NC3CCC(C#N)(c4ccccc4)CC3)cn2)CC1 757664089 MOHJZSJGJGJHQL-UHFFFAOYSA-N 449.599 5.271 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 758783102 RLJOTZDYRBFVAX-NQIIRXRSSA-N 449.551 5.116 30 20 IKED Cc1ccc(-c2nnc([C@H](C)OC(=O)c3occc3COc3cccc(C#N)c3)o2)cc1C 758943095 ORAZMQRSKXXHJS-KRWDZBQOSA-N 443.459 5.315 30 20 IKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)Nc3ccc(F)cc3OCC#N)cc12 760785567 CCPBFYRTPYNVPZ-UHFFFAOYSA-N 440.887 5.343 30 20 IKED Cc1cccc(COc2ccc(NC(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)c(C)c2)c1 761844662 JRJPOGAYHXYPMJ-AREMUKBSSA-N 441.531 5.360 30 20 IKED Cc1cc(Br)ccc1CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 763005267 RXCHJHBZOHSQKY-GOSISDBHSA-N 436.334 5.172 30 20 IKED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12 763767853 SPWPUBYPUWXIRH-UHFFFAOYSA-N 448.461 5.054 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)C[C@H](O)c1ccc(F)cc1 766021512 UIIIXCGZRAFITF-BVZFJXPGSA-N 447.510 5.219 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNCc2ccc(OC(F)F)c(Br)c2)c1 768596228 FIQZFXRFWYXKCM-HNNXBMFYSA-N 425.273 5.021 30 20 IKED Cc1cc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)ccc1NC(=O)OC(C)(C)C 772038217 GNHDGQVFMJGADX-UHFFFAOYSA-N 432.442 5.142 30 20 IKED Cc1ccc(CCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c(Br)c1 773983697 MCMCUAYPRGQAHG-CQSZACIVSA-N 432.268 5.311 30 20 IKED N#C[C@H](Cc1ccc(F)cc1F)OC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 774319114 IXOZCMFTXJKRDT-HNNXBMFYSA-N 446.862 5.224 30 20 IKED C=CCC[C@H](C(=O)OCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)c1ccccc1 778559013 IRZPWCZUPGOCTD-NRFANRHFSA-N 441.574 5.007 30 20 IKED CC(C)c1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)cc1)CC2 778941247 PVPLBYIEPYPWFH-IZZNHLLZSA-N 437.543 5.208 30 20 IKED COCCN(C(=O)Nc1ccccc1O[C@H](C)C#N)[C@@H](C)c1cccc(C(F)(F)F)c1 780679606 YNJOWRZVQQGDBG-CVEARBPZSA-N 435.446 5.238 30 20 IKED COC(=O)COc1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc1 782179912 RWKORHLDBCOQGU-HKWRFOASSA-N 429.497 5.272 30 20 IKED N#C[C@H](C(=O)NCc1ccc(F)c(F)c1)C(=O)c1sc2cccc(Cl)c2c1Cl 786573115 VIMXIQNVILXNFE-JTQLQIEISA-N 439.270 5.125 30 20 IKED CCn1c(SCC(=O)[C@@H](C#N)c2nccc3ccccc23)nnc1-c1ccc(Cl)cc1 792097878 YTMGOPHRIYUCNJ-LJQANCHMSA-N 447.951 5.135 30 20 IKED CC(C)(C)OC(=O)N1CCc2cccc(/C=C/C(=O)c3nc(Br)ccc3F)c21 794969391 IRTCKDSVFRNLSQ-VQHVLOKHSA-N 447.304 5.177 30 20 IKED CC1(C(=O)[C@@H](C#N)c2nc3ccccc3s2)CCN(c2ccc(Cl)cc2C#N)CC1 805844650 MGZTYAYXEJXJOK-QGZVFWFLSA-N 434.952 5.304 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\Oc3cccc(Cl)c3C2=O)cs1 811698552 KZYFIMASMKYCDP-MFOYZWKCSA-N 431.300 5.751 30 20 IKED CC(=O)N(c1ccc(NCc2cccc(OCc3ccccc3C#N)c2)cc1)[C@@H]1C[C@H]1C 815164414 QQLGWFXLZCIPLQ-XHCCPWGMSA-N 425.532 5.511 30 20 IKED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CC(=O)N[C@H](CCCC#N)c1ccccc1)C2 817324467 DOSXDJNGXMPUCY-FDFHNCONSA-N 425.573 5.106 30 20 IKED COc1ccc(/C=C/C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1OC 914520768 PNTZACRUWYMYJX-XYOKQWHBSA-N 430.479 5.270 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)cc1 915181339 YZPJBWFMFKUTMS-VXKWHMMOSA-N 429.545 5.037 30 20 IKED N#CCOc1cccc(NC(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)c1 916409878 LPHBPHSMARTKMY-UHFFFAOYSA-N 448.931 6.533 30 20 IKED C[C@@H](Sc1ccccc1Cl)C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916846390 SGQCWONBBDETIJ-YPMHNXCESA-N 443.981 5.286 30 20 IKED N#C[C@@H](C(=O)NCc1ccccc1)C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 916887766 YNPUMKDHOKWESU-OAQYLSRUSA-N 438.405 5.137 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cc(C)n(C2CCCCC2)c1C 916903353 RIALVAUPVCBXFW-LJQANCHMSA-N 441.959 5.542 30 20 IKED N#C[C@@H](C(=O)CSc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 916928992 ZXAUHEATAXCEHH-NSHDSACASA-N 448.158 5.740 30 20 IKED N#C[C@@H](C(=O)COc1ccc(OCc2ccccc2)cc1)c1nc2cc(Cl)ccc2s1 917046135 GCDHDMWKFCVCKW-FQEVSTJZSA-N 448.931 5.784 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1OC(F)F 917144939 MANCGBULGYCQCO-GQCTYLIASA-N 442.212 5.172 30 20 IKED Cc1nn(-c2ccc(Br)cc2)c(C)c1C=NNc1ncccc1C(F)(F)F 917547789 BPRLOHQRWAMLST-UHFFFAOYSA-N 438.251 5.111 30 20 IKED Cc1cccc(OCCCCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 920113285 UGUMEJKLCKVFLB-QGZVFWFLSA-N 432.467 6.049 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(-c4ccc(F)cc4)noc3C)n2)cc1 920144017 VZWABDIUVQHTJX-SFHVURJKSA-N 433.464 5.411 30 20 IKED C[C@H](Sc1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920803997 IFRDKEZFBILIEP-FZMZJTMJSA-N 434.920 6.099 30 20 IKED CCOc1cc(/C=C2\Cc3c(F)cccc3C2=O)ccc1OCC(=O)N(C(C)C)C(C)C 921266677 QOSGQCOTDAVDCC-XDHOZWIPSA-N 439.527 5.071 30 20 IKED Cc1c(C(=O)NC2(c3ccc(NC(=O)C4(C#N)CC4)cc3)CCC2)[nH]c2c(Cl)cccc12 1787878388 KCTZYQXNIQHTBR-UHFFFAOYSA-N 446.938 5.181 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3nc4ccccc4[nH]3)CCC2)cc1 1789454370 WQEGGXUNQSJMMC-HXUWFJFHSA-N 428.536 5.079 30 20 IKED CC(C)c1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)c[nH]4)CCC3)cc2)cc1 1790313585 ATJPMUDUNBPHGI-UHFFFAOYSA-N 426.520 5.071 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(F)cc4F)cc3)CCC2)cc1 1790333997 GZJGSGKYHJIEBS-UHFFFAOYSA-N 445.469 5.092 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3c3ccc(OC)cc3)CCC2)cc1 1791243984 HOSPAQORDZQCIX-NWVWQQAFSA-N 432.564 5.145 30 20 IKED Cc1cccc(-c2cnccc2C(=O)NC2(c3ccc(NC(=O)[C@H](C)S)cc3)CCC2)c1 1791574455 LLPWNNVZFURXCG-SFHVURJKSA-N 445.588 5.123 30 20 IKED CCC[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCC#C[Si](C)(C)C)CC1 1798422720 NBDYYRPYHCXBDH-KHFMAEOWSA-N 444.736 5.282 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1802497672 YTJQZYPRIOAKAO-RBBKRZOGSA-N 439.987 5.047 30 20 IKED CC(C)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@@H](C)C#N)c2)cc1 1803681239 MPEAWQXDWBRMJA-TZAMREQXSA-N 429.564 5.003 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](C)c3ccc(OC)cc3)C2)CC1 1805316291 AZKLMPWHWJHHLZ-NRFANRHFSA-N 440.628 5.022 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCC2CCCC2)[C@H]1c1cccnc1 1810496071 ZXYONDDBEMUBSE-VWNXMTODSA-N 425.617 5.050 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccoc3s2)[nH]n1 1819305044 BVIYLDKZDPAMKO-SJLPKXTDSA-N 438.553 5.292 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2C2CC2)[nH]n1 1819310846 BZSHWZXWZMGRSV-CVDCTZTESA-N 432.568 5.361 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(C)cccc3[nH]2)[nH]n1 1819555096 ZEQFVAIXFYKFSD-JOCHJYFZSA-N 447.583 5.498 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 1823752078 KTXBSNAPAXEWNL-XMMPIXPASA-N 435.612 5.394 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSc2ccccc2)CC1 1828822585 JZINLOCILZEBKG-DNQXCXABSA-N 440.653 5.167 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](CCC)n2cccc2)CC1 1828825078 QKKPUAVEVQABTO-DSNGMDLFSA-N 439.644 5.217 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCc3cccc(Cl)c32)CC1 1831377177 VTRSXLSFHDBMBQ-AVCGJXAMSA-N 443.031 5.202 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 1832029547 GWSYXGDRGXCYQQ-NRFANRHFSA-N 449.422 5.420 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)c(O)c(C)c2)CC1 1832578577 DGDCTJCDTGVNDY-BJKOFHAPSA-N 438.612 5.011 30 20 IKED N#CCN(C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccccc1 8755313 GTXJGMLGZXYOCF-UHFFFAOYSA-N 425.513 5.657 30 20 IKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc3c(c2)CCCC3)cc1 10170731 DFUKDXRJTRZCNR-UHFFFAOYSA-O 429.609 6.027 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)n1 10399299 VCZKXAJEHSJHNN-OAHLLOKOSA-N 433.499 5.200 30 20 IKED COc1ccc(-c2nc(COC(=O)c3cc(C4CC4)nc(SC)c3C#N)cs2)cc1 10711848 SJSNGAMOEONWNP-UHFFFAOYSA-N 437.546 5.042 30 20 IKED CC(C)(C)c1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2cccc(O)c2)cc1 10830567 JZCLPPZDEKOGSK-UHFFFAOYSA-O 439.988 5.682 30 20 IKED C[C@@H](OC(=O)c1c(Cl)ccc(Cl)c1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 21615122 YZGAYUCMXPWAMO-MRVPVSSYSA-N 443.739 5.253 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(C)cc2)cc1 22730900 UUBNBTWOWZPVKH-UHFFFAOYSA-O 425.524 5.564 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)CSCc3ccc(Cl)cc3)s2)cc1 23686582 DRTBIEAQKFRSAY-UHFFFAOYSA-N 447.010 5.227 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 30042162 NHYUOMWPKAWDCC-UHFFFAOYSA-N 438.314 5.390 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1ccccc1C(F)(F)F 97543242 PUIGCELAKBUENZ-INIZCTEOSA-N 439.437 5.595 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](CC(C)C)c2ccccc2)nnc1-c1ccccc1F 216657285 ZJUANZKOMSCFEE-NRFANRHFSA-N 438.572 5.266 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)cc1 303920026 SSCYRGCVFSIOOA-UHFFFAOYSA-N 449.352 5.177 30 20 IKED CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 431983835 XKNYQNLPKNCVEI-OAQYLSRUSA-N 449.942 5.979 30 20 IKED CCSCc1ccccc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 436413886 IQAPWGUTVLIBIN-UHFFFAOYSA-N 426.592 5.207 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccc(F)cc1F)C1CCCC1 438053681 UWBNBOWIBUFSFY-MRXNPFEDSA-N 429.536 6.336 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2 438080608 XTSSJMDBMVNWPZ-ZDUSSCGKSA-N 449.479 5.075 30 20 IKED N#CCC[C@H](NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1ccccc1 439678838 RFIJROJSLMONEK-QHCPKHFHSA-N 426.545 5.401 30 20 IKED Cc1c(COc2ccccc2)cccc1NC(=O)C(=O)Nc1ccccc1SCCC#N 441858627 PBODTNQWQPORLH-UHFFFAOYSA-N 445.544 5.157 30 20 IKED CC(C)c1nc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nn1-c1ccccc1F 442671166 LFWHJXVSZKTHEP-MRXNPFEDSA-N 431.496 5.143 30 20 IKED C[C@@H](C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2)c1ccc(Br)s1 443881593 SAWLPEGFKQSHSE-LLVKDONJSA-N 443.391 5.952 30 20 IKED N#CCCCn1cc(C(=O)NCC2(c3ccccc3Cl)CCOCC2)c2ccccc21 444180410 GMZFFRVEXUKLLS-UHFFFAOYSA-N 435.955 5.077 30 20 IKED Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 447428906 RFAQMVCNKMTTKA-CRAIPNDOSA-N 449.498 5.138 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 460373689 FLKMOIRVBZHKBF-UPTQXZAWSA-N 445.592 5.004 30 20 IKED C=CCOc1cc(OC)ccc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 464506099 HLQOLUJJOALUHP-OAHLLOKOSA-N 426.444 5.152 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 468460558 OJONMESDWNPXHE-JOCHJYFZSA-N 444.604 5.409 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@H]3CCc4cc(Br)ccc4C3)ccc21 469154105 XNIRLQUBWBGKJQ-FQEVSTJZSA-N 438.369 5.001 30 20 IKED CCCCN(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[C@@H](CC)c1ccccc1 470541384 HMLGGXNHSGHAEX-DEOSSOPVSA-N 446.595 6.055 30 20 IKED Cc1noc(-c2ccccc2)c1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 472018315 STHDWFRQTOQCHR-UHFFFAOYSA-N 429.863 6.220 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@]3(C2)OCc2ccccc23)cc1Cl 473675030 JYSWFVLZTDVFDS-GJZUVCINSA-N 443.934 5.659 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3cccs3)C2)cc1Cl 473780713 WEJZCWHAVUDGRH-CTNGQTDRSA-N 437.952 5.662 30 20 IKED CC(C)Oc1cc(Br)cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c1 473931909 JWDKRZKKUDJQIB-HNNXBMFYSA-N 448.267 5.471 30 20 IKED C=C(C)[C@H](NC(=O)N(C)Cc1cc(OC)c(OC)cc1SC)c1ccc(F)c(F)c1 477732152 RBPZANBUSOUHFZ-NRFANRHFSA-N 436.524 5.163 30 20 IKED Cn1nc(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c2ccccc21 480352666 BBKGXGRSOWAYMD-OAQYLSRUSA-N 443.938 5.246 30 20 IKED C=CCN(CC1CCCCC1)C(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1 482851929 SMOCLTSNDNOJPE-UHFFFAOYSA-N 448.607 5.296 30 20 IKED C=CCSc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 486214338 LYHDFLPCUKEZKU-UHFFFAOYSA-N 432.948 5.248 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccnc(Oc2ccccc2F)c1 488326135 KWMFVOOUKBZSAF-INIZCTEOSA-N 436.512 5.729 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nnc1-c1ccccc1C 488925217 JGUYIRYBLPDMAV-ZWKOTPCHSA-N 446.576 5.544 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3csc(C4CC4)n3)s2)c(C(F)(F)F)c1 491934340 AQDCTXOQSURSPL-UHFFFAOYSA-N 434.468 5.211 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 494028186 PLCGMEUFYYKRPJ-IRXDYDNUSA-N 440.638 5.685 30 20 IKED CSc1ccc(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 494663347 GOOPWQQMWHNWDN-FQEVSTJZSA-N 428.966 5.518 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C 495445393 UUDDRLGYEYSDHD-DOTOQJQBSA-N 443.613 5.573 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 496932675 ABDLPYCQJKUYLE-UHFFFAOYSA-N 435.336 5.581 30 20 IKED C=CCc1cc([N+](=O)[O-])ccc1OCc1csc(N(C(C)=O)c2cccc(C)c2C)n1 498098211 MEOVQJRDJZHFPQ-UHFFFAOYSA-N 437.521 5.660 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](C)NC(=O)c1ccc(Cl)cc1 498301955 SQRGZFOMLMNZBB-MRXNPFEDSA-N 433.895 5.069 30 20 IKED CCc1ccc(-c2nc(CC(=O)N[C@H](C#N)c3ccc(Br)cc3)cs2)cc1 499409648 WEIDXSCYIMFBAI-LJQANCHMSA-N 440.366 5.059 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CSc2nc(C(F)(F)F)nc3ccccc23)c1C 501579346 JLZIKPJBIYIRCP-UHFFFAOYSA-N 444.482 5.304 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 502067826 HVJRETCQTXIGHJ-HNNXBMFYSA-N 444.878 5.353 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)Cc3csc(-c4ccccc4Cl)n3)n2)c1 502377966 UXEOWOSORZSHTE-UHFFFAOYSA-N 436.949 5.640 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc4c(c3)oc3ccccc34)CC2)c1 502681394 SSHIZYSVXFRJDZ-UHFFFAOYSA-N 438.487 5.340 30 20 IKED C[C@@H](CCNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 507008613 SVXXEUPSTRDGGS-FDDCHVKYSA-N 445.950 5.244 30 20 IKED CCCNC(=O)c1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 510890286 PIADPXAUJDQCBL-UHFFFAOYSA-N 442.519 5.121 30 20 IKED CC(C)c1c(C(=O)Nc2ccc(Cl)c(C#N)c2)cnn1-c1ccc(C(F)(F)F)cn1 512235304 WVJBLPMQSQKWRM-UHFFFAOYSA-N 433.821 5.187 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccccc2N2CCCC2)cc1 513951522 JJCNHPWKQRJILJ-UHFFFAOYSA-N 428.511 5.532 30 20 IKED Cc1sc(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)c(C#N)c1C 514569058 PUYIFDYETCDDAV-UHFFFAOYSA-N 444.310 5.097 30 20 IKED C[C@@H](Sc1ccccc1Cl)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 515600119 LDMCRDKXNAMJSJ-GFCCVEGCSA-N 447.010 5.475 30 20 IKED C=CCN(C(=O)[C@H](C)Sc1ccc(NC(C)=O)cc1)c1nc(-c2ccccc2)cs1 515608991 PBSUGSJQXCJAPQ-INIZCTEOSA-N 437.590 5.468 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(-c3ccccc3F)o2)cc1 515651409 JQTDGLLYVJPGTM-UHFFFAOYSA-N 426.447 5.983 30 20 IKED CCC(CC)CN(CC)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 516050836 IRCDYPGJXPMYKJ-NRFANRHFSA-N 425.960 5.219 30 20 IKED COc1cc(CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)ccc1OC(F)F 517354925 DKIWLRXXSKSNGN-UHFFFAOYSA-N 442.393 5.030 30 20 IKED N#C[C@H](C(=O)c1cnc2ccccc2c1C(F)(F)F)c1nc2cc(Cl)ccc2s1 518477715 WBBQCFGLPPOMDU-GFCCVEGCSA-N 431.826 6.007 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2Cl)c2ccccc2)cc1 519879509 USQWUWKQOQVVNI-QHCPKHFHSA-N 445.950 5.180 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H](c3ccccc3)C(F)(F)F)c2)c1 522463287 OXZHHPOUSRWOLU-HXUWFJFHSA-N 438.409 5.236 30 20 IKED Cc1nc(-c2ccsc2)ccc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 523155619 CQAWWYFWYKXJOS-UHFFFAOYSA-N 449.586 5.386 30 20 IKED COc1ccccc1CC1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 524002549 NBZIEIILUASERE-UHFFFAOYSA-N 446.576 5.101 30 20 IKED Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)CCC2 524152819 WVKSSDNXJRZKQZ-QHCPKHFHSA-N 446.576 5.638 30 20 IKED C=CCN(C(=O)c1ccc(CN(C)C(=O)C(C)C)cc1)c1nc(-c2ccccc2)cs1 525521243 ONVJRQJHFDANRJ-UHFFFAOYSA-N 433.577 5.257 30 20 IKED CC[C@@H](C)n1ncc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C1CC1 534084654 VCQKSVOXPJRETI-IERDGZPVSA-N 432.955 6.293 30 20 IKED CC(C)Cn1ncc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1C(F)F 534660637 AZBXONWVAANGLR-NSHDSACASA-N 436.434 5.368 30 20 IKED C=C[C@H](CC(=O)N(CCOC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccccc1 535413599 BZTNUQCOKDKPBB-QGZVFWFLSA-N 437.521 5.058 30 20 IKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NCCCC1(C#N)CCOCC1 539709889 CFIVXJWWGBCALF-UHFFFAOYSA-N 445.485 5.779 30 20 IKED Cc1nc2cc(CNC(=O)c3ccccc3Sc3ccccc3C#N)ccc2n1C1CC1 549764808 OIMINPAYZQKAJN-UHFFFAOYSA-N 438.556 5.633 30 20 IKED Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N3CCc4ccc(C#N)cc43)c12 550154629 OATKNJHNWNPEML-UHFFFAOYSA-N 448.404 5.292 30 20 IKED CCOc1cc(CNC2(c3cccc(C#N)c3)CC2)cc(Br)c1OC(F)F 551226432 RHSGTGDXXPJFLX-UHFFFAOYSA-N 437.284 5.100 30 20 IKED C=C(C)CN1CCC(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)CC1 552492772 BVNLOJZGHQKHTG-MNDPQUGUSA-N 427.548 5.085 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1cnn(CC(C)C)c1C1CC1 554185845 VYJZWITVZCATHL-UHFFFAOYSA-N 443.551 5.820 30 20 IKED C[C@H](NC(=O)NCCSCc1ccccc1C#N)c1ccc(Oc2cccnc2)cc1 554237011 ANSGGDBORSAOPA-SFHVURJKSA-N 432.549 5.039 30 20 IKED C=CCOc1ccc(CN[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1OC 559554868 SYQFTUTZNARZGE-SFHVURJKSA-N 434.511 5.502 30 20 IKED CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H](CCCC#N)c1ccccc1 567928225 IGQMILITUAOYQG-IBGZPJMESA-N 442.357 5.062 30 20 IKED CC(C)CN(C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@H](C)c1ccccc1Cl 588331787 ZDNYHFFJHHMHAU-GOSISDBHSA-N 439.991 5.004 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 590537334 GKXPCKBYXFVZCC-PMOQBDJRSA-N 438.955 5.550 30 20 IKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c12 592973752 KBNSSHHYINLVHN-QGZVFWFLSA-N 441.491 5.183 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2nnc(Cc3ccccc3)s2)cc1 600851839 HRBCUUDHRBFQLM-UHFFFAOYSA-N 442.569 5.545 30 20 IKED CCCc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)c2cccs2)cc1 603705455 CZWYZYNUEFBRDZ-OAQYLSRUSA-N 437.952 5.070 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2cccs2)C2CC2)cc1Cl 604138785 OHRXKQWOUWUNOH-KNQAVFIVSA-N 449.963 5.263 30 20 IKED C[C@@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604153119 FAWLZMSVWSRWBC-INIZCTEOSA-N 433.895 5.162 30 20 IKED COc1cccc(C[C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 604365090 CMISWJPVIFVWDD-JOCHJYFZSA-N 441.531 5.907 30 20 IKED Cc1ccccc1CN1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 604461951 ZEIGOZAHMDRADE-UHFFFAOYSA-N 440.547 5.399 30 20 IKED COc1ccccc1-c1nc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cs1 604504252 HTIZPPUFXBABCM-UHFFFAOYSA-N 442.500 5.438 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(SCc4cn5ccccc5n4)cc3)[nH]c12 605363388 XAZURKMNPHWQJF-HXUWFJFHSA-N 437.528 5.301 30 20 IKED CC[C@@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F 606641441 AIESBTRMPCVQGT-GOMXZESMSA-N 432.355 5.625 30 20 IKED CC1CCN(c2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cn2)CC1 608903381 ASKOTYGELDRGFY-UHFFFAOYSA-N 440.547 5.215 30 20 IKED COc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)ccc1OC(C)C 609072901 FEXGGURQTLZKGH-UHFFFAOYSA-N 430.504 5.494 30 20 IKED COc1ccc([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1F 609078745 MJDQVFHATVCHEJ-QGZVFWFLSA-N 433.483 5.476 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 609106914 CWYMLQUETHNMQV-UHFFFAOYSA-N 448.960 6.134 30 20 IKED C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)NC(=O)C1CCCCC1 609381652 FADZBDDPUAQKDO-CQSZACIVSA-N 441.519 5.125 30 20 IKED CCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H](C)c1cccc(C(F)(F)F)c1 609437097 PJAPXHXICDLULB-CVEARBPZSA-N 435.515 6.715 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1)C1CC1 609928966 PNFZAHMQKSSNDB-UHFFFAOYSA-N 440.503 5.505 30 20 IKED CCCS(=O)(=O)Nc1cccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1C 609987167 GUFGWWGPNOWTSH-UHFFFAOYSA-N 448.548 5.014 30 20 IKED C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](C#N)c1ccccc1Br 609993919 CIHMFQXJGHGUKQ-SJKOYZFVSA-N 425.248 5.028 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NC[C@H]2CCO[C@H]2c2ccccc2)c1 610184476 IGFBDJPJRIJDNK-DVECYGJZSA-N 432.907 5.512 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 615473830 DXVMMUUUKHMKBA-UHFFFAOYSA-N 444.557 5.198 30 20 IKED O=C(Nc1ccc(F)cc1F)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 641851121 LANRCBJGZPHGOG-UHFFFAOYSA-N 435.274 5.440 30 20 IKED Cc1nc2c(cnn2C(C)C)cc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 642282096 LFEUYBFKBNCTOL-HNNXBMFYSA-N 443.454 5.439 30 20 IKED C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1c(Cl)ccc(F)c1Cl 674426839 KYLSWCXWJHGLBA-BIIVOSGPSA-N 441.174 5.576 30 20 IKED N#C[C@@H](C(=O)c1cnc2ncc(Br)cc2c1)c1nc(-c2ccccc2)cs1 682012927 YDYNKVACAYQJBF-INIZCTEOSA-N 435.306 5.006 30 20 IKED O=S(=O)(Nc1ccccc1)c1ccc(NN=Cc2cc3ccccc3nc2Cl)cc1 727058153 JIIJZRMTRDDASN-UHFFFAOYSA-N 436.924 5.135 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2c(N3CCCC3)cccc2N2CCCC2)cc1OC 727747319 BSBVAZYOMJELPZ-OWBHPGMISA-N 447.579 5.112 30 20 IKED O=C(O)C(=O)/C(=C\C1=Cc2cc(Cl)cc(Cl)c2OC1)c1ccc2ccccc2n1 728156665 LBJFIPRFOWDNHD-PXNMLYILSA-N 426.255 5.055 30 20 IKED Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(C)c1 728668871 CKBUYUDRIVKNEA-IBGZPJMESA-N 428.488 5.460 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@H](c3ccccc3)C(F)(F)F)n2)cc1 728770936 ZPDHTHXLBZFARR-ZWKOTPCHSA-N 425.435 5.594 30 20 IKED O=C(NC[C@H](O)c1ccccc1C(F)(F)F)Nc1ccc(C(F)(F)C(F)(F)F)cc1 729878685 UOBMPVXGLQSDSI-AWEZNQCLSA-N 442.306 5.215 30 20 IKED CC(C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 732398463 HECHGROQYBAVRJ-KRWDZBQOSA-N 429.476 5.053 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)CCCCc2ccc(Br)cc2)c1 733770588 ISYRNOXQPDBLTQ-HXUWFJFHSA-N 429.358 5.159 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)c1ccc(COc2cccc(Br)c2)o1 741635097 HIFAQLHTBFWRDK-UHFFFAOYSA-N 444.256 5.025 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2cc(Cl)ccc2OC[C@H]2CCCO2)S1 743059292 WGNMCEOFIHWEJL-BAOGCXAUSA-N 442.968 5.406 30 20 IKED N#C[C@@H](C(=O)CCCOc1ccccc1Cl)C(=O)Nc1ccccc1Oc1ccccc1 748004184 SVTASQTULCVBHM-IBGZPJMESA-N 448.906 5.639 30 20 IKED C=CCSc1ccccc1NC(=O)COC(=O)c1cc(-c2cccc(Cl)c2)no1 748926976 VWZOHUOAPMVVHS-UHFFFAOYSA-N 428.897 5.069 30 20 IKED CC(C)Oc1ccccc1CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 749047747 HDNHISOUMUTGOQ-NRFANRHFSA-N 428.488 5.156 30 20 IKED Sc1nnc(-c2cccc(Br)c2)n1N=Cc1nc(-c2ccccc2)cs1 755603712 HKWJYFVXSCBOQQ-UHFFFAOYSA-N 442.367 5.002 30 20 IKED Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 756069494 BSDMJEMZBIGAHK-MRXNPFEDSA-N 438.622 6.078 30 20 IKED COc1ccc(O)c(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)c1 757467647 HSCBPDSSCYKGHZ-WEVVVXLNSA-N 428.897 5.091 30 20 IKED Cc1ccc(-c2nnc([C@H](C)OC(=O)c3ccc(COc4ccc(C#N)cc4)o3)o2)cc1C 758948736 ZBJWMUXDLZNESV-KRWDZBQOSA-N 443.459 5.315 30 20 IKED N#C[C@H](C(=O)/C=C/c1ccc2ccc(Cl)cc2n1)C(=O)Nc1ccc(Cl)cc1Cl 759214208 QWVBRMUAKGSAGL-IQIBNGDESA-N 444.705 5.556 30 20 IKED C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 760202125 PCWJBISJIWUXDO-AUUYWEPGSA-N 433.920 5.421 30 20 IKED COc1cc(C(=O)Nc2ccc(F)cc2OCC#N)ccc1OCc1ccc(Cl)cc1 760784168 PQEBCMJLJGVBFK-UHFFFAOYSA-N 440.858 5.221 30 20 IKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 762310933 XBNFPVZJQGVJDC-GOSISDBHSA-N 442.302 5.042 30 20 IKED CN(Cc1ccccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C 767862314 GQIOODVYBSQFLR-UHFFFAOYSA-N 446.551 5.246 30 20 IKED C[C@@H](OC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 769544084 OWUSCJOEMDRBAB-CQSZACIVSA-N 444.318 5.436 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)c1ccc(Br)cc1 770420373 WEZNREULFYRNDF-CXAGYDPISA-N 426.339 5.338 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)ccc1OC 779101410 NCLBONABUBVVIG-RCZVLFRGSA-N 438.930 6.048 30 20 IKED C=CCn1c(SCC(=O)O[C@@H](C)c2ccc(Cl)cn2)nnc1-c1ccc(Cl)cc1 782644085 SPBFECACPXFCGH-ZDUSSCGKSA-N 449.363 5.229 30 20 IKED N#CCCn1cc(CNc2ccc3cc(Br)ccc3c2)c(-c2ccncc2)n1 789749301 MYHPWDUPFVSHKA-UHFFFAOYSA-N 432.325 5.387 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cc(F)ccc3Br)n2)cc1 790766381 AWFGJDSBIXEAAH-MRXNPFEDSA-N 440.297 5.002 30 20 IKED C=CCN(C(=O)C(F)(F)C1CCOCC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 792524043 DVUSDCFVBTWYME-UHFFFAOYSA-N 447.334 5.698 30 20 IKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)c2nccc(C)c2c1 792679397 YBVZUHOAGDFKAJ-QGZVFWFLSA-N 433.533 5.041 30 20 IKED CCc1ccccc1N(C(C)=O)c1nc(COC(=O)C[C@H](CC#N)c2ccccc2)cs1 795979276 BHHSUUWYQLRUBT-NRFANRHFSA-N 447.560 5.521 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1cc(F)c(C(F)(F)F)cc1F 805904461 PKDFTFNZNOQEJU-UHFFFAOYSA-N 440.155 5.311 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 806842042 DCMSTWPVLCNICG-UHFFFAOYSA-N 433.581 5.352 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1 810370651 JNCYPRCGIMMGAP-AWEZNQCLSA-N 431.583 5.766 30 20 IKED COc1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1NC(=O)OC(C)(C)C 814570286 LUQTWGKXIMZGCE-IBGZPJMESA-N 438.528 5.599 30 20 IKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl 914964054 ROSVRQBEQGCHHS-XTZNXHDOSA-N 446.878 5.173 30 20 IKED O=[N+]([O-])c1ccc(-c2ccc(C=Nn3cnnc3SCc3ccc(Cl)cc3)o2)cc1 916546459 RQQNSPDYYAMRPN-UHFFFAOYSA-N 439.884 5.274 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cnc(-c2ccccc2)s1 916908105 LHDMPUYMQOFDJQ-LJQANCHMSA-N 439.496 5.564 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(OC2CCCC2)cc1 916909986 RQGGVXBLGVMMLP-HSZRJFAPSA-N 440.499 5.761 30 20 IKED CCCOc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1OCCC 916917912 LESPBRQWXUTIPJ-OAQYLSRUSA-N 430.504 5.379 30 20 IKED Cc1ccc(/C=C\C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c(Br)c1 917041042 OFPPCYDXHSUMFM-QIAWRQBBSA-N 430.252 5.392 30 20 IKED CCc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(C)nc3sccc3c2=O)cc1 917580894 XACWBJLPSBTTLH-UHFFFAOYSA-N 439.544 5.064 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2cccs2)C(=O)N[C@H]1c1ccc2c(c1)CCO2 917961504 HFFZSSVSVXUKHD-QHCPKHFHSA-N 448.519 5.089 30 20 IKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 918486629 JTKLXGDNLWAQGF-CYBMUJFWSA-N 445.327 5.692 30 20 IKED FC(F)Sc1nc2ccccc2n1CN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918734559 XVVOFGSBDVBGHG-AOOOYVTPSA-N 433.368 5.371 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)cc1 920027145 YVDMTHJBFZDTMU-LJQANCHMSA-N 449.988 6.362 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 920105715 CXHLDUCZZIADIC-GOSISDBHSA-N 449.532 5.728 30 20 IKED CC(C)CC(=O)Nc1cccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 920782690 FGLFCBRIRYPYTI-RUZDIDTESA-N 440.547 5.648 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(N2CCCC2=O)cc1 920975192 GVCVTNIUFCQCLA-DFBJGRDBSA-N 438.531 5.352 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)c(OC)c3)CCC2)cc1 1786103334 QPEFBKZSZORUOA-UHFFFAOYSA-N 448.563 5.220 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cccc5c4OC(C)(C)C5)cc3)CCC2)C1 1788497114 HTNYODXSVLZTJY-UHFFFAOYSA-N 430.548 5.114 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(CO)c(F)c3)CCC2)cc1 1789625560 IJWZMROQZIFEOU-UHFFFAOYSA-N 438.543 5.058 30 20 IKED CC1=CC[C@H](C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)CC1 1790707360 KBWVAGKOLICSHA-QFIPXVFZSA-N 427.548 5.247 30 20 IKED O=C(C#Cc1ccccc1)NC1(c2ccc(NC(=O)c3cccc4ccncc34)cc2)CCC1 1790856736 PJKOWDBEJKSGAJ-UHFFFAOYSA-N 445.522 5.034 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cnc4cccc(Cl)c4c3)cc2)CCC1 1790975071 ZWEMLLACSFLJSL-UHFFFAOYSA-N 446.938 5.186 30 20 IKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cccc4c3oc3ccccc34)CCC2)cc1 1791578534 FSSMXGYBIINPQU-INIZCTEOSA-N 444.556 5.652 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cc(Cl)ccc34)CCC2)cc1 1791582805 NVNBOCLTWJVHPU-UHFFFAOYSA-N 433.939 5.373 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccnc(OCC(C)C)c3)CCC2)cc1 1791727427 OSZXYJWKQIQBRG-UHFFFAOYSA-N 447.579 5.058 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(NC(C)=O)cc3)cc2)CCC1 1792135455 OTLZJKHUCNBMDZ-UHFFFAOYSA-N 447.579 5.385 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)CCC2)cc1 1792268611 SMEGQMYCUZWGES-UHFFFAOYSA-N 439.559 5.255 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)Cc3ccc(Cl)c(F)c3)CC2)C1 1804857682 RHKJMPXWMMYMAY-UHFFFAOYSA-N 449.010 5.245 30 20 IKED C=CCC(F)(F)C(=O)N1CCC2(CCCN(C(=O)[C@H](c3ccccc3)[C@@H](C)CC)C2)CC1 1809162324 MDKFZLAWBOZXED-UNMCSNQZSA-N 446.582 5.259 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)[nH]n1 1814829521 SKWVWJRAYKLMEB-QFIPXVFZSA-N 449.530 5.104 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(C)ccc23)[nH]n1 1821927946 RIRZQXJGBQXWQI-JKELMNDMSA-N 445.567 5.117 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C2CCCCC2)CC1 1830354840 ZYVSWQLZVNINBS-AWRZONTFSA-N 426.645 5.511 30 20 IKED CCOc1ccc(-n2c(SC[C@@H](C#N)CCC#N)nnc2-c2ccc(Cl)cc2)cc1 15246483 VCIDKDHWZRIETA-MRXNPFEDSA-N 437.956 5.522 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2ccccc2Br)n(Cc2ccco2)c1C 16360650 TWOPXGLXJGWAKM-UHFFFAOYSA-N 444.354 5.111 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1ccc(OC)cc1 17710154 MXGUAIMEAPRDJH-INIZCTEOSA-N 433.537 5.351 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2ccccc2Oc2ccccc2)n1 21514471 RXYYQOXPBDOBCA-UHFFFAOYSA-N 443.450 5.804 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(SC)c2)nc2cc(Cl)ccc2c1=O 21831172 UGJVXLZVLCIRNR-CYBMUJFWSA-N 445.997 5.077 30 20 IKED Cc1cc(C)c(N/C(S)=C(\C(=O)c2cc(C)[nH]c2C)[n+]2cccc(C)c2)c(Cl)c1 23604655 WBUNUZRZCFEBDZ-UHFFFAOYSA-O 426.993 5.549 30 20 IKED C=CCn1c(SCc2coc(-c3cccs3)n2)nc2sc3c(c2c1=O)CCC3 24852714 HVCKNWFJZSFMFW-UHFFFAOYSA-N 427.576 5.142 30 20 IKED N#C[C@H](C(=O)CSc1ncnc2sc3c(c12)CCC3)c1nc(-c2ccccc2)cs1 26022701 YOMPFFFFTFWMNM-OAHLLOKOSA-N 448.598 5.272 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cc(Cl)ccc3Br)c2)c1 32290852 SBVSALRTXUOAAG-UHFFFAOYSA-N 441.712 5.805 30 20 IKED O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cccc(C#Cc2ccccn2)c1 46538578 KMCQQRRHAJOAQR-UHFFFAOYSA-N 429.932 5.440 30 20 IKED CC1CCN(c2ccc(CNC(=O)c3ccccc3Sc3ccccc3C#N)cn2)CC1 61900380 XEPAENYAKQJCNT-UHFFFAOYSA-N 442.588 5.271 30 20 IKED COc1cccc(-c2nc(/C=C\C(=O)c3ccc(SC(F)F)c(OC)c3)cs2)c1 214926966 HGUOTGBQYMWGGG-FPLPWBNLSA-N 433.501 6.038 30 20 IKED CCc1ccc([C@@H](Nc2c(F)cc(C#N)cc2F)c2cccc(S(C)(=O)=O)c2)cc1 301484788 YSRMAPLJCBVEGD-JOCHJYFZSA-N 426.488 5.004 30 20 IKED CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)n1 303149047 FRJHNZAHBCYOLU-UHFFFAOYSA-N 438.487 5.950 30 20 IKED C=C(C)COc1cccc(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)c1 303231975 YLMAEIZFSCZDSJ-UHFFFAOYSA-N 436.581 5.118 30 20 IKED Cc1c([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)oc2ccccc12 426675472 SLADIBLELRSVQG-KRWDZBQOSA-N 439.471 5.221 30 20 IKED N#CCCC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1ccccc1 431465388 NXLPQMUWDIIMJN-DYESRHJHSA-N 431.367 5.306 30 20 IKED C[C@]12CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)C[C@H]1C2(F)F 432855976 UWCOWTZXFLGLAP-CTNGQTDRSA-N 431.870 5.300 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)cc1 435934094 GQCDKZSIVFUADS-UHFFFAOYSA-N 437.849 5.337 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)NCc1cccc(C#N)c1 438612301 IMOGHVNYKJESGK-UHFFFAOYSA-N 441.510 5.925 30 20 IKED C[C@@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)Nc1ccc2c(c1)OCCCO2 439651878 RSVAVQYISIQSHC-MRXNPFEDSA-N 447.466 5.090 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2ccc(CCC(F)(F)F)cc2)cc1 440372774 PETGWROGTWMVBL-UHFFFAOYSA-N 431.458 5.640 30 20 IKED C=CCSc1ccccc1NC(=O)CNc1cccc(C[S@](=O)c2ccccc2)c1 442087030 QABXGXSYAUSJHM-PMERELPUSA-N 436.602 5.323 30 20 IKED Fc1ccc(-c2noc(CN[C@@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)n2)cc1 444744634 QFBTZLKWSZMXCW-HNNXBMFYSA-N 433.327 5.678 30 20 IKED Cc1c(Cl)cccc1NC(=O)Cc1noc(/C=C\c2cn(CCC#N)c3ccccc23)n1 445334210 WVLOMFVJHVJJQL-KHPPLWFESA-N 445.910 5.251 30 20 IKED Cc1cc([C@H]2NC(=O)N(c3ccc(OCc4cccc(C#N)c4)c(Cl)c3)C2=O)ccc1F 445956890 MHBILAXYRCGCTD-JOCHJYFZSA-N 449.869 5.036 30 20 IKED C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1c(F)cc(C#N)cc1F 446068469 CXKMIULGXUTJFA-BETUJISGSA-N 431.870 5.145 30 20 IKED Cc1ccc(F)c(CN(C)C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 447282327 GECNEKAAHHEHBG-NRFANRHFSA-N 449.913 5.040 30 20 IKED COc1cc(C[S@@](=O)Cc2ccc(C(F)F)cc2)ccc1OCc1cccc(C#N)c1 460701397 WNPOQRBYXILOFS-HKBQPEDESA-N 441.499 5.532 30 20 IKED N#Cc1ccc(NCc2nc(-c3ccc(Br)s3)no2)cc1C(F)(F)F 462184125 WBCIOHWFHBHJHO-UHFFFAOYSA-N 429.221 5.063 30 20 IKED COc1ccc(C(C)(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1OC 466298455 MYXQJYWKEPOBMS-UHFFFAOYSA-N 444.531 5.265 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nc(C(C)(C)C)no1 466446685 RMZQGHIJWQGATG-KBXCAEBGSA-N 437.931 5.559 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccncc2OCC(F)(F)F)cc1 466828393 IXNYFYNAEARVSF-UHFFFAOYSA-N 442.397 5.008 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1 471253471 NCPAXSANBKCHNA-HSZRJFAPSA-N 440.547 5.303 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 473821876 ZBMHXTLGPAAVMR-KSFYIVLOSA-N 436.968 5.898 30 20 IKED N#CC[C@H](CC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1ccccc1 476045157 YJSBEOKHFPGIFI-MRXNPFEDSA-N 443.400 6.058 30 20 IKED CC(C)Cn1ncc(C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)c1C(F)F 477631779 CHHGOPMACCXMQE-UHFFFAOYSA-N 427.320 5.349 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCO[C@@H](c4ccccc4F)C3)cc2F)c1 481708706 AGYNSCALKZMPMI-XMMPIXPASA-N 449.457 5.021 30 20 IKED C=C(C)Cn1c(SCC(=O)N2CCC[C@@H]2c2cccc(C)c2C)nnc1-c1ccco1 481950221 YEGWYLRWSZKGGJ-HXUWFJFHSA-N 436.581 5.187 30 20 IKED COC(=O)c1cc2cc(NC(=O)c3ccccc3Sc3ccccc3C#N)ccc2o1 482747965 BTCZGJJNJRLTTP-UHFFFAOYSA-N 428.469 5.495 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(CCC(F)(F)F)Cc1ccccc1 484568601 BCBTVWOHBURCAL-INIZCTEOSA-N 449.498 5.001 30 20 IKED C=CCN(CCc1ccco1)C(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 486863151 IEIZCEULRNUZOA-UHFFFAOYSA-N 447.413 5.406 30 20 IKED C=CCOc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccccc4OC)cs3)C2)cc1 487243178 HXKCJCHPJNOQNE-IBGZPJMESA-N 434.561 5.403 30 20 IKED CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 487470164 OPOSRRRPPKANJE-UHFFFAOYSA-N 433.895 5.196 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCc1ccccc1Oc1cccnc1 489640099 IGXWRHNTWPEUEE-UHFFFAOYSA-N 430.533 5.523 30 20 IKED C[C@@H](c1ccccn1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 496338229 DDCHZEUEBZPZCT-ZDUSSCGKSA-N 445.470 5.244 30 20 IKED COc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc(OC)c1C(C)C 496719958 FKIJAWZKLZJYAK-UHFFFAOYSA-N 446.572 6.243 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCCC(=O)c1ccc(Br)cc1 497582405 MIYACJXOLZAESK-OAHLLOKOSA-N 445.382 5.835 30 20 IKED C[C@@H](Oc1ccc(F)cc1Br)C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 498471849 QWWLWVOSBHVVLQ-PSLIRLAXSA-N 446.103 5.043 30 20 IKED CC(C)N(Cc1cc(Br)ccc1F)C(=O)CSCc1ccc(C#N)cc1 499242856 LQOWHEOCAZCUGV-UHFFFAOYSA-N 435.362 5.130 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1nc(-c2ccsc2)no1 500745116 RJSOGDROAVESHE-UHFFFAOYSA-N 430.489 5.342 30 20 IKED CC(=O)Nc1cc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1C 502315774 HYHWTEVHLOYEGH-OAQYLSRUSA-N 432.911 5.906 30 20 IKED COc1ccccc1OCc1ccc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)o1 505532858 NHMAPUMHWDBWTC-INIZCTEOSA-N 431.275 5.169 30 20 IKED N#Cc1ccccc1-c1ccc(CN2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1 505781006 DCEGYSXETDUUNW-UHFFFAOYSA-N 428.511 5.150 30 20 IKED O=C(CNc1ccc(F)cc1OCC(F)(F)F)Nc1ccc(Cl)cc1C(F)(F)F 505787623 OXGRIPNLBWFHIU-UHFFFAOYSA-N 444.734 5.490 30 20 IKED CCOc1ccc(-c2nc(CC(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)cs2)cc1 505958985 CQTZIWOFYRMBMP-IBGZPJMESA-N 445.466 5.151 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)N[C@@H]3CCSc4ccc(Cl)cc43)CC2)cc1 509405500 UUDMNFGKDFXOPY-HXUWFJFHSA-N 427.957 5.002 30 20 IKED Cc1ccc(C(=O)C2CCN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)cc1 515745626 PDGNGHWKCLDAKX-UHFFFAOYSA-N 449.620 5.121 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NCc3cccnc3Oc3cccc(F)c3)cc2)nc1 517652503 YNUYXRQSSOSLOH-UHFFFAOYSA-N 440.434 5.002 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NC[C@@H](c3ccco3)N3CCCCC3)c2)cc1 517900943 BAFNDGGXIMTGLO-QHCPKHFHSA-N 430.508 5.292 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](c1ccccc1)c1ccco1 519200276 BKRUJKYORRHSFH-AREMUKBSSA-N 437.499 5.950 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@@H](Cc4ccccc4)C3)c2)c1 521589378 ZPFKXMLYDWKFMU-QFIPXVFZSA-N 438.531 5.297 30 20 IKED Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)N(CCC#N)C(C)C)cc12 522584699 XOLKLJKMLFTOAY-UHFFFAOYSA-N 435.380 5.526 30 20 IKED CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 523984524 KKHOXSVUBPTHTH-NRFANRHFSA-N 427.548 6.164 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 524020274 BVZJBASJERPWJJ-UHFFFAOYSA-N 429.402 5.071 30 20 IKED C=C(C)COc1cccc(NC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)c1 524300854 PPGXWZZLABTJJF-UHFFFAOYSA-N 434.467 5.050 30 20 IKED C=CCN(C(=O)c1cc(NC(=O)C(C)C)ccc1Cl)c1nc(-c2ccccc2)cs1 525006183 JOLCGFMMKHVIRW-UHFFFAOYSA-N 439.968 5.891 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)c1ccc(C(F)(F)F)nc1 525029073 IBICOQUZAPXLRD-UHFFFAOYSA-N 430.320 5.729 30 20 IKED N#C[C@H](C(=O)c1cccc(OCC(F)(F)F)n1)c1nc(-c2ccc(Cl)cc2)cs1 525327438 OQWWEVOGRLKXAX-CYBMUJFWSA-N 437.830 5.290 30 20 IKED N#C[C@@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccc(OC(F)(F)F)cc1 531353536 USGKYXZSJDJROR-QGZVFWFLSA-N 449.816 5.207 30 20 IKED CCOc1ccc(C(C)(C)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1OCC 543076065 ACRHUQZLABAIMQ-KRWDZBQOSA-N 426.582 5.652 30 20 IKED N#Cc1ccc(Br)c(C[S@@](=O)[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 549689616 SPOILAVWPSFTJT-HFZDXXHNSA-N 444.781 6.012 30 20 IKED CCCn1c(SC[C@H](O)COc2ccc(CC#N)cc2)nc2ccc(C(F)(F)F)cc21 551958185 HYBPOUUPMZTJQW-QGZVFWFLSA-N 449.498 5.063 30 20 IKED CC[C@H](c1ccccc1)c1nnc(Sc2c(C#N)cnc3c(OC)cc(OC)cc23)o1 553037018 STVWOHODFQRRKC-QGZVFWFLSA-N 432.505 5.200 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(Oc4ccccc4)c3)CC2)c(F)c1 554159141 JCVTZSLUVAHEPW-UHFFFAOYSA-N 431.467 5.565 30 20 IKED Cc1c(C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)sc2ccc(C#N)cc12 555638612 DEFMYNFMWJXRSV-UHFFFAOYSA-N 437.524 5.537 30 20 IKED C=CCn1c(S[C@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)nnc1-c1ccccc1C 558844285 XOMMZLPMCHDXGR-UTKZUKDTSA-N 436.556 5.033 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@]2(C1)OCc1ccccc12 558994563 HDXYAPYWWMMEFT-HHHXNRCGSA-N 437.547 5.095 30 20 IKED Cc1ccnc(Oc2cc(NC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)ccc2C)c1 560531110 CBIKSHAMGAHIBG-UHFFFAOYSA-N 444.510 5.357 30 20 IKED N#Cc1csc(CNCc2ccc(Oc3ccc(F)c(F)c3)cc2C(F)(F)F)n1 562068074 CCWVKBYOHPFDTR-UHFFFAOYSA-N 425.382 5.394 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1F 568682091 NFEINJVVTNSUOY-UHFFFAOYSA-N 445.328 5.669 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(-c2ccccc2NC(=O)C2CC2)no1 570968957 MXSXLDUPINFIDR-UHFFFAOYSA-N 429.398 5.336 30 20 IKED COc1cc(CSCC(=O)Nc2cc(C)ccc2C)ccc1OCc1cccc(C#N)c1 572400587 QSGDKWICABPMTI-UHFFFAOYSA-N 446.572 5.635 30 20 IKED C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(Br)cc1Br 577420656 ZRDKCQXBHMYNGF-AUUYWEPGSA-N 436.191 6.297 30 20 IKED N#Cc1ccc(N2CCC(N[C@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)CC2)cc1 581899967 ZWMQTXLSCRHTJF-HXUWFJFHSA-N 441.419 5.829 30 20 IKED C=CCN(C(=O)COCc1cccnc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 583714497 TXZSVZZKZJDKMT-UHFFFAOYSA-N 441.556 5.608 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ccccc2Cl)n1)c1nc2cc(Cl)ccc2s1 589831178 WYNXRQFAQHMDIY-LBPRGKRZSA-N 430.341 6.217 30 20 IKED Cc1cccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c1NC(=O)c1ccccc1F 592973536 AGKSPEDSAZDADX-KRWDZBQOSA-N 447.466 5.625 30 20 IKED C[C@H](Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F)c1cccc(C#N)c1 600848848 LGZNYCKLFMJYHJ-AWEZNQCLSA-N 427.401 6.142 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)cn2)c1 603624240 XIMOAFARRJHTJU-UHFFFAOYSA-N 446.413 5.250 30 20 IKED Cc1nc(-c2ccc([C@@H](C)NC(=O)c3ccc(COc4ccccc4C#N)o3)cc2)cs1 603862517 ZSDPDOCZNOMBOK-MRXNPFEDSA-N 443.528 5.653 30 20 IKED CC(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 604090399 XTUJXEJFMNYNLF-UHFFFAOYSA-N 434.883 5.284 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3ccn(-c4cccc(Cl)c4)n3)c2)c1 604112233 BLHPVIIAZHRDCX-UHFFFAOYSA-N 428.879 5.229 30 20 IKED C[C@@H](CCc1ccccc1)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604129322 AIVZICXNRCAFLB-MBSDFSHPSA-N 445.950 5.071 30 20 IKED Cn1c(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c(Cl)c2ccccc21 609027937 JBNYEEBLGPTSPE-NRFANRHFSA-N 429.907 5.405 30 20 IKED COc1cc([C@@H](C)NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)ccc1OCC(C)C 609057038 MBLOAKZKJNVPBV-GOSISDBHSA-N 448.519 5.265 30 20 IKED CC1(C)CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@H]1c1ccccc1 609123711 KBDCJSZDUZKWNS-DEOSSOPVSA-N 429.495 5.891 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COc1ccc(Cl)c(C(F)(F)F)c1 609370690 OJPBIMLTZRDXKK-GFCCVEGCSA-N 428.863 5.628 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)c(OC)c1 609434591 BAFLSMWQAPDTKD-JXFKEZNVSA-N 425.554 5.467 30 20 IKED COc1ccccc1-c1nnc(S[C@@H](C#N)C2CCCCC2)n1CCc1ccccc1 609648597 SPAAVTCEGIQNCJ-QHCPKHFHSA-N 432.593 5.761 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(OC4CCCCC4)cc3)CC2)c1 609721590 NZLVTYHEJNWKCK-UHFFFAOYSA-N 446.551 5.152 30 20 IKED C[C@@H]1CN(Cc2cccc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)c2)C[C@@H](C)O1 609975504 NBJFPIVFQLOOFS-WOJBJXKFSA-N 441.531 5.212 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](COCc1ccccc1)c1ccccc1 610142690 KGMMRTCZZZFCNT-HYBUGGRVSA-N 445.588 6.018 30 20 IKED CC(C)Oc1ccc(NC(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)cc1C#N 610936824 UWDFZLZUWOSXIJ-SFHVURJKSA-N 430.508 5.202 30 20 IKED CC(C)(C#N)c1ccccc1CN[C@@H](CC(F)(F)F)c1ccc(Br)cc1 612538957 GLTBSKUYSRCMAX-SFHVURJKSA-N 425.292 6.034 30 20 IKED C[C@@H](Oc1ccccc1C#N)c1nc(Cc2nc3cc(C(F)(F)F)ccc3s2)no1 612881841 OCKOHTPXCXIZRZ-LLVKDONJSA-N 430.411 5.301 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(C)nn(-c4ccc(F)cc4)c3C)n2)cc1 613318003 DGVSJCSZFIXLMK-FQEVSTJZSA-N 430.508 5.550 30 20 IKED CCCc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)[nH]c(C)c1C(C)=O 614182887 MHFXYDGWBVPKLG-UHFFFAOYSA-N 429.520 5.376 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1 626584733 LSSGVULMOOTKFA-UHFFFAOYSA-N 435.911 5.479 30 20 IKED C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 670201176 XSXZUVAUSRNYOR-HUUCEWRRSA-N 443.395 5.180 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C/c3cc(Br)cs3)SC2=S)cc1Cl 726626214 BCALSVNWHHJEGT-ACAGNQJTSA-N 441.784 5.441 30 20 IKED N#CCCCOc1cccc(/C=C(\Cl)c2nc(O)c3c4c(sc3n2)CCCC4)c1 726741927 JUWFQCUBLDBUPQ-LGMDPLHJSA-N 425.941 5.695 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 726755477 OSDJQNZVXAJGOZ-UHFFFAOYSA-N 440.117 5.444 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1cc2ccc(OCc3ccccc3)cc2[nH]1 726958390 YNHVZOPZGBRTKZ-UHFFFAOYSA-N 426.476 5.077 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cc1 727589724 ZWFIXJLJRKLKTB-ZJSXRUAMSA-N 449.913 5.740 30 20 IKED N#Cc1c(NC(=O)CCN2CCC[C@H]2c2ccccc2C(F)(F)F)sc2c1CCC2 728061607 WABKYWOYOXNCOC-SFHVURJKSA-N 433.499 5.293 30 20 IKED C[C@@H](C#N)Oc1ccc(/C=C(/Cl)c2nc(O)c3cc(-c4ccccc4)sc3n2)cc1 728699219 CTIJDDQDFKBSCI-YRIIZNAFSA-N 433.920 6.092 30 20 IKED C[C@H](CC#N)N(C)Cn1nc(-c2ccc(Br)cc2)n(C2CCCCC2)c1=S 728902218 LIMKVJBUKRGRMF-OAHLLOKOSA-N 448.434 5.540 30 20 IKED CC(C)(C)OC(=O)N[C@H](CCC(=O)[C@@H](C#N)c1ccc2ccccc2n1)c1ccccc1 729891284 XYGJQUNRZRAWRY-RBBKRZOGSA-N 429.520 5.457 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1 730471111 LYVMBDREXNBSOK-UHFFFAOYSA-N 425.504 5.343 30 20 IKED COc1cccc(NC(=O)c2ccccc2NC(=O)CCCCOc2cccc(C#N)c2)c1 731958443 PARSFDSSENDWEY-UHFFFAOYSA-N 443.503 5.007 30 20 IKED CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 731964970 RGMCOFBQWZEKDI-UHFFFAOYSA-N 427.504 5.183 30 20 IKED Cc1nn(C(F)F)c(C)c1CC(=O)O[C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 733709073 JCDKQBCLSOYPGX-JTQLQIEISA-N 444.322 5.780 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccccc2CSc2nc(C)cs2)c1 733771353 SNEGPQMNIYJSIU-IBGZPJMESA-N 437.590 5.355 30 20 IKED CN(Cc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1)C(=O)OC(C)(C)C 737024814 LEHZQKLCKYDBJR-UHFFFAOYSA-N 434.540 5.122 30 20 IKED CCN(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl)[C@@H](C)c1ccc(C#N)cc1 740779433 PHCCAALVXJSJPQ-HNNXBMFYSA-N 427.932 5.782 30 20 IKED N#CCCCOc1cccc(/C=C2\SC(=S)N([C@H]3CCOc4ccccc43)C2=O)c1 743281625 CYKQWFNGYUQQIC-SLOMDMAXSA-N 436.558 5.094 30 20 IKED Cc1cc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c(OC(F)F)cc1C 743427621 ZALFUGMPKQDHGE-UHFFFAOYSA-N 439.487 5.534 30 20 IKED CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C#N)o2)NC(=S)N1c1cc(C)cc(C)c1 743739937 ODPWMVDBOPGXNX-QHCPKHFHSA-N 442.544 5.117 30 20 IKED O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(-c2ccncc2)cc1 745990595 VNSMNTQCYGJDIQ-MDWZMJQESA-N 438.914 6.550 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1cc(Cl)cc(Cl)c1 749102427 NZNDKBVLGLRADO-UHFFFAOYSA-N 448.188 6.280 30 20 IKED CC[C@@H](CC(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccc(OC)cc1 752474646 XDHHRSTVEVQYTB-KSSFIOAISA-N 435.549 5.044 30 20 IKED C=CCc1ccc(OCC(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2C)c(OC)c1 754219992 OHZZSRHKLIMBCG-UHFFFAOYSA-N 426.513 5.097 30 20 IKED CC(C)(C)OC(=O)NCC1(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 758951945 HHMGUSSMGPDMLD-LJQANCHMSA-N 439.943 5.239 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)Cc1cccc(OCC#N)c1 760388512 DXANJQKIVOHRCE-AWEZNQCLSA-N 425.941 5.094 30 20 IKED CC(C)(C)OC(=O)N1CCc2cccc(/C=C\C(=O)c3cc(Br)ncc3F)c21 762425835 NLCCNBDYOLXLAS-FPLPWBNLSA-N 447.304 5.177 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(O)(c2ccccc2Cl)CC1 765282594 WBBNASMNEZSGSR-INIZCTEOSA-N 429.973 5.107 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CC[C@@H](c4ccc(C(F)(F)F)cc4)C3)o2)cc1 767129422 DGEJLAZQEGLDNA-GOSISDBHSA-N 440.421 5.379 30 20 IKED CCCCOc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(OC)c(Cl)c2)c(Cl)c1 770846723 KOWGRDKTSOUOGR-MRXNPFEDSA-N 435.307 5.142 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)C(C)(C)c1cccc(Cl)c1F 772486445 RZFSFTJKMWWJDC-CQSZACIVSA-N 448.947 5.190 30 20 IKED COCCc1nc(C)c([C@@H](C)OC(=O)c2cccc(COc3cccc(C#N)c3)c2)s1 773910822 HERAKIGMXLXVSX-QGZVFWFLSA-N 436.533 5.009 30 20 IKED N#Cc1ccccc1/C=C\C(=O)OCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 775084146 NRYADORAOPZHET-XFXZXTDPSA-N 446.915 5.598 30 20 IKED CC(C)N1C(=O)C[C@H](C(=O)[C@@H](C#N)c2ccc3ccccc3n2)[C@@H]1c1ccc(Cl)c(F)c1 776506834 JTWYNYSNIQODDD-XFAGBWLFSA-N 449.913 5.202 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](c3c(F)cccc3Cl)N(C)C)n2)cc1 778613672 GUEIYUATYYWSMJ-QRWLVFNGSA-N 443.931 5.090 30 20 IKED COc1ccc2cccc(CC(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2c1 780333438 MTGGUGDZHJPMRM-SFHVURJKSA-N 434.467 5.669 30 20 IKED Cc1nnc(SCC(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)c(C#N)c1C 781382426 VULANNMIWWWCOA-UHFFFAOYSA-N 431.565 5.242 30 20 IKED COc1ccc(C[C@H](C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC 781447503 JBIVBROBMAIHMN-WFASDCNBSA-N 448.466 5.387 30 20 IKED CC(C)(C#N)CCCCOC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 785573063 WOFHGRNIPKSWKQ-UHFFFAOYSA-N 443.507 5.011 30 20 IKED C=CCOc1ccc(CN(C(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)C(C)(C)C)cc1 786644009 MFEHNYMPPVJSDG-RUZDIDTESA-N 432.564 5.343 30 20 IKED Cc1oc(-c2cccs2)nc1C(=O)[C@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 787047852 DJKJYEHUQVOKNU-HZMBPMFUSA-N 448.331 5.218 30 20 IKED Clc1ccc(CSc2nncn2N=Cc2c[nH]c3cc(Cl)cc(Cl)c23)cc1 790150476 YOUZPXHPRZELBT-UHFFFAOYSA-N 436.755 5.894 30 20 IKED O=C1/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)CCc2c1cnn2-c1ncccn1 792904454 FKFPXGIQZWDDRT-QINSGFPZSA-N 436.393 5.154 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 793947190 FUHSLYXBMWZEIX-ZRZAMGCNSA-N 443.547 5.069 30 20 IKED N#CC[C@@H](CC(=O)O[C@H](c1ccc(Br)cc1)C(F)(F)F)c1ccccc1 796696265 DVTGFSXAZSIMFY-MAUKXSAKSA-N 426.232 5.683 30 20 IKED C[C@H](OC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1nc(C2CC2)cs1 805913738 OSHNFQBLHYHZSY-AWEZNQCLSA-N 429.973 5.456 30 20 IKED CN(C(=O)c1ccnc(C(F)(F)F)c1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 808720020 LPOBESCZHXGXDP-CYBMUJFWSA-N 430.270 5.495 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1cc(C)ccc1C)[n+]1cc(O)cc(-c2ccccc2)c1 811723977 UJRZMTPIIXQBQT-UHFFFAOYSA-O 431.581 5.340 30 20 IKED N#C[C@H](C(=O)NCc1cccc(Cl)c1)C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 816037608 SFFHAJCIFQEXNK-KRWDZBQOSA-N 446.812 5.258 30 20 IKED C=CCSc1ccccc1NC(=O)COC(=O)c1sc(NC(=O)C(C)(C)C)cc1C 875167673 NHGVKBUFVKYTCU-UHFFFAOYSA-N 446.594 5.115 30 20 IKED N#CC1(Cc2nc(-c3cc(Br)cc(Br)c3)no2)CCCCC1 904914779 PFYVUNLPFZOCGU-UHFFFAOYSA-N 425.124 5.278 30 20 IKED Cc1c(-c2ccccc2)oc2c(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)cccc2c1=O 914482513 VGVJMGYMAISLPB-UHFFFAOYSA-N 434.495 5.445 30 20 IKED O=C1/C(=C\c2cccs2)CN(C(=O)c2ccccc2Cl)C/C1=C\c1cccs1 915990674 UPQDPLHCYCAXNO-UKVBVZPVSA-N 425.962 5.655 30 20 IKED O=C(/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccc(N2CCOCC2)cc1 916138605 YNCKHZUZAVXOHX-PQMHYQBVSA-N 446.934 5.325 30 20 IKED Cc1ccc(-c2nn(Cc3ccccc3)cc2/C=C2/S/C(=N/C3CCCC3)NC2=O)cc1 916548764 BOMLVHPDJVBARI-HZHRSRAPSA-N 442.588 5.409 30 20 IKED N#C[C@@H](C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 916844672 USEBTBIUBGDPRW-WMZHIEFXSA-N 431.948 5.915 30 20 IKED C=CCn1c(SCC[S@](=O)c2cc(Cl)ccc2Cl)nnc1-c1ccoc1C 917177091 GNXPSXYUTTWUOD-MHZLTWQESA-N 442.393 5.239 30 20 IKED COc1ccc2ccccc2c1C=Nn1c(S)nnc1-c1cccc(Br)c1 917591722 DJXWMCWTBFTDGG-UHFFFAOYSA-N 439.338 5.040 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN(C)Cc2cc(OC)cc(OC)c2)c1=S 919953334 INXIZVBINHQYGZ-UHFFFAOYSA-N 444.988 5.027 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ncc(-c4ccccc4F)o3)n2)cc1 920140843 CIRITSIIXGYUDQ-SFHVURJKSA-N 447.491 5.422 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccnc(C(F)F)c3)cc2)CCC1 1787017243 NFPSKVGQOCXGBX-FQEVSTJZSA-N 439.506 5.535 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccoc4)CCC3)cc2)c1Cl 1790083882 OQIZSCTTZCWXOL-UHFFFAOYSA-N 447.922 5.185 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3scnc3C(F)(F)F)CCC2)cc1 1791727980 PMUDOFXKDVMUQQ-UHFFFAOYSA-N 449.498 5.103 30 20 IKED C[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1)n1cccc1 1791790665 ZJMOYCXUPJBXKM-KRWDZBQOSA-N 446.938 5.022 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(C(F)(F)F)c1C)C2 1798338844 KWETZTQGKHRDBX-FCGDIQPGSA-N 434.502 5.034 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)Cc3ccccc3Cl)CC2)C1 1804859359 ZQUWBKYZOAZLNH-UHFFFAOYSA-N 431.020 5.106 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCCCC2(F)F)[nH]n1 1814440279 NSGZMFVUHRRQPO-WMZOPIPTSA-N 436.547 5.220 30 20 IKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(C)C)CC2)[nH]n1 1821988145 NEURHYGGRQSXGM-LNLFQRSKSA-N 436.547 5.076 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823215399 QRBLYCFVMQSNEE-PGRDOPGGSA-N 447.583 5.335 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C(C)=C/c2cccs2)CC1 1828825303 UXISKKOZWBUZKJ-UUDWBSDGSA-N 440.653 5.540 30 20 IKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1829705235 ISOFYEJSRNBGAQ-VWLOTQADSA-N 447.554 5.030 30 20 IKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccc(C)cc4s3)CC2)C1 1830978326 QZANVCIDCUZBKS-JOCHJYFZSA-N 436.621 5.409 30 20 IKED C=CCn1c(SCc2csc(-c3ccsc3)n2)nnc1-c1ccc(OC)cc1 15748167 ZOZBBGSWUBEZGY-UHFFFAOYSA-N 426.592 5.617 30 20 IKED C=CCSc1ccccc1NC(=O)COC(=O)c1sc(-c2cccs2)nc1C 26582713 CZPSQMGGSAAWEX-UHFFFAOYSA-N 430.576 5.254 30 20 IKED C=CCn1c(SCCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccc(Cl)cc1 59794995 RGUUUVBXSLDLRN-UHFFFAOYSA-N 440.956 5.108 30 20 IKED CCCCc1nc(CCCC)n(Cc2ccc(-n3c(Cl)cc(Cl)c3C#N)cc2)n1 98178581 ISYAGHAMNXARMV-UHFFFAOYSA-N 430.383 5.981 30 20 IKED C=CCn1c(SCc2nn(-c3ccc(F)cc3)c3c2CCC3)nnc1-c1ccoc1C 109209760 MNNNOKGMEUVQMF-UHFFFAOYSA-N 435.528 5.138 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)n1 195556986 VIPHVBBCXDKZLR-QGZVFWFLSA-N 435.578 5.613 30 20 IKED N#C[C@@H](C(=O)COc1ccc(Oc2ccccc2)cc1)c1nc2ccccc2n1C(F)F 195557377 ZTXIFCWRUFOKPW-IBGZPJMESA-N 433.414 5.479 30 20 IKED CN(CCC#N)c1ccc(CN[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 237214454 GCWBSQFEMDCISQ-RUZDIDTESA-N 427.527 5.056 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1c1ccccc1C 303213682 SAQIGLSBMHCGKM-AREMUKBSSA-N 425.532 6.123 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 303650533 KGPNEMOHZHXHRQ-YTTGMZPUSA-N 442.584 6.059 30 20 IKED C=CCN(Cc1ccc(OC)cc1)Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1 430036432 DXVPEAWEAATHFN-UHFFFAOYSA-N 435.593 5.138 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)[C@H]2OCCc3sccc32)cc1 432852094 LXLVILYVZVELJO-NPMXOYFQSA-N 449.532 5.245 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O 436404971 ABXNGQXXBWSIHE-AVRDEDQJSA-N 428.598 5.143 30 20 IKED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1 437493221 SVESUZYZCWYIAB-PUBLIMIKSA-N 448.588 5.333 30 20 IKED C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 437896571 ODIRCNDLCFBZKF-AFMDSPMNSA-N 443.522 6.086 30 20 IKED CN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 438687413 QZJLKMJYQFKOKQ-UHFFFAOYSA-N 440.547 5.479 30 20 IKED N#CCC[C@H](NC(=O)Nc1ccc(Cl)cc1I)c1ccccc1 439493652 NDLMITIPXZNPBD-HNNXBMFYSA-N 439.684 5.111 30 20 IKED COc1ccc(F)cc1-c1csc(NC(=O)c2cn(CCCC#N)c3ccccc23)n1 444297419 SRVWWCOCTMMHIX-UHFFFAOYSA-N 434.496 5.469 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCC(=O)c1cc(Cl)sc1Cl 446050932 GRFCPRHSJMUDKV-NSHDSACASA-N 427.378 6.051 30 20 IKED Cc1ccc(NCc2cnc3ccc(C#N)cn23)cc1Oc1ncccc1Br 448368571 WRMVKULJRGKBNN-UHFFFAOYSA-N 434.297 5.076 30 20 IKED Cc1n[nH]c(C)c1CCC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 464291553 BZEXSYRKMVQFIB-UHFFFAOYSA-N 428.414 5.281 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](CSc2ccccc2)C1 464753884 BTZBHMBHTNOMJE-RTBURBONSA-N 425.623 5.134 30 20 IKED Cc1c(C(=O)N(CCC(F)(F)F)CC(F)(F)F)cnn1-c1cccc(C(F)(F)F)c1 468516455 OVOMIGSYWJWMOX-UHFFFAOYSA-N 447.301 5.156 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)c1cn(CCCC#N)c2ccccc12 469596130 CLKCLEXTFJVUEG-LJQANCHMSA-N 442.588 6.210 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 470910619 JMBLMMLMCWTROH-UHFFFAOYSA-N 446.338 5.433 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@H](C)c3ccc(Cl)c(Cl)c3)C2)n1 471292476 LOUFZPNQDAUUNW-QAPCUYQASA-N 431.367 5.005 30 20 IKED Cc1cccc(C)c1NC(=O)CN(CCCC(C)(C)C#N)CC(=O)Nc1c(C)cccc1C 471700694 CVEIWNUBNMWGOG-UHFFFAOYSA-N 448.611 5.129 30 20 IKED CCN(C(=O)NC1CCC(Oc2ccccc2C#N)CC1)[C@@H](C)c1cc2ccccc2o1 479186891 FJHZFPOHEMFDFR-XTWGIRIWSA-N 431.536 5.787 30 20 IKED Cc1ccc2c(N3CCC(C(=O)Nc4ccccc4)CC3)c(C#N)cnc2c1Br 479870933 CXXPXTNKOAKSOY-UHFFFAOYSA-N 449.352 5.033 30 20 IKED C=CCSc1ccccc1C(=O)Nc1cc(F)c(F)cc1I 486428271 BOKNRQWIJFLYPG-UHFFFAOYSA-N 431.245 5.100 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3occc3CN3C(=O)Cc4ccccc43)cc2)cc1 486724218 NIOWWHOJUHYABO-UHFFFAOYSA-N 449.466 5.285 30 20 IKED C[C@](Cc1cccc(Br)c1)(NCCCC1(C#N)CCOCC1)c1ccccc1 499607037 QHIIPGHWNWKSNF-HSZRJFAPSA-N 441.413 5.597 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCOc2c(Br)cccc21 505309936 HGYUHIAGFBXEDF-CJNGLKHVSA-N 446.370 5.489 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c(C)nn(Cc2ccccc2)c1N 506790263 PSMOCSHTFDTFOW-UHFFFAOYSA-N 437.503 5.047 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1 507829879 KFDHHBMHFJGHAD-MRXNPFEDSA-N 435.911 5.760 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1 510614398 IQZWDKFZVURMCD-UHFFFAOYSA-N 444.510 5.276 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 510893294 AOGPFYCIGSVDOF-KCZVDYSFSA-N 436.625 5.361 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C(C)C)cc1 511353589 NNAYGVFTYWNZDY-SANMLTNESA-N 443.547 5.859 30 20 IKED CCN(Cc1ccc2ccccc2c1)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 511397238 JCWQJIZGQKYBDQ-UHFFFAOYSA-N 428.536 5.028 30 20 IKED N#C[C@@H](C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1nc2ccccc2s1 513695281 ASXRQYTYTHRPMM-HNNXBMFYSA-N 427.514 5.096 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(Oc3ccc(C)cc3OC)nc2)cc(OC)c1OC 515067396 GCSZAAVOKJUTNL-UHFFFAOYSA-N 434.492 5.189 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccccc1Oc1ccc(C)cc1 516447442 MMGQKCLKKWMSQW-UHFFFAOYSA-N 427.504 5.036 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(C(=O)Nc4ccccc4)cc3)cc2)cc1 517657337 QHOWDRVZSVHDQU-UHFFFAOYSA-N 447.494 6.050 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cccc(Br)c2)cc1 520308428 SSVUVYRWVRADOQ-UHFFFAOYSA-N 437.362 5.543 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cnn(-c2ccccc2)c1C(F)(F)F 520972633 HKMJBFFWRYZHLC-UHFFFAOYSA-N 426.442 5.061 30 20 IKED Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3ccccc3SCCC#N)cc12 521717504 YZCWBWWZUFKZRH-UHFFFAOYSA-N 432.574 5.713 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 521810632 XDTVQIBIHLXNOF-VFNWGFHPSA-N 425.554 6.193 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC(CCc2ccc(O)cc2)CC1 523590063 PZNOPQRBVZXJGM-UHFFFAOYSA-N 425.532 5.064 30 20 IKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(COc2cccc(C#N)c2)c1 524491626 IXKJIRFHMBLYPZ-QGZVFWFLSA-N 427.529 5.580 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(CN2CCCC[C@@H]2C)cc1 524566494 VHWPLEFFYBLJSN-PMACEKPBSA-N 436.625 5.634 30 20 IKED C=C[C@H](CC(=O)N[C@H]1CC[C@H](NC(=O)C[C@@H](C=C)c2ccccc2)CC1)c1ccccc1 534722427 NTDZOAYAKBZVFY-SAZLYLDSSA-N 430.592 5.250 30 20 IKED CN(CCCc1nc2ccccc2[nH]1)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 534875570 LSMOONLSOLTCNF-UHFFFAOYSA-N 444.922 5.585 30 20 IKED O=C(CCCC(F)(F)F)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F 536121679 PDEAKOLEACBQRK-UHFFFAOYSA-N 436.327 5.768 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)c3ccc(Br)cc3C(F)(F)F)CC2)cc1 537330556 JKKQCIXNQACLHS-UHFFFAOYSA-N 435.243 5.269 30 20 IKED Cc1nc(-c2ccc([C@@H](C)N[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)cc2)cs1 540377098 VOEKTARMTOCRQI-SJORKVTESA-N 436.556 5.244 30 20 IKED Cc1ccc([C@H](Nc2ncc(Cl)c(C)c2C#N)c2cccc(S(C)(=O)=O)c2)c(C)c1 542209813 QWOHEZAWUBIDSB-JOCHJYFZSA-N 439.968 5.137 30 20 IKED C[C@@H](NC(=O)N1CC[C@H](n2ncc3ccccc32)C1)c1ccc(-c2cccc(C#N)c2)cc1 543018047 UAKAQPMOQDLALM-CLOONOSVSA-N 435.531 5.293 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccccc2-c2nnnn2C(C)C)cc1 543272855 OOFASDPWGPXRAK-UHFFFAOYSA-N 438.491 5.146 30 20 IKED COc1ccc2oc([C@H](C)NCC(=O)Nc3ccccc3SC[C@H](C)C#N)c(C)c2c1 544482197 NEJYDNNRUMWKHA-WBVHZDCISA-N 437.565 5.291 30 20 IKED COc1ccc(C2(C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CCOCC2)cc1 546705543 YIOCLYHUQMZUCC-HXUWFJFHSA-N 440.543 5.159 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)c1nccn1-c1ccccc1 553362970 UUIZBYBMYPVSNH-KRWDZBQOSA-N 435.528 5.221 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 554400130 QUMIBUATJHKCJG-QHCPKHFHSA-N 449.938 5.691 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1)[C@H]1C[C@H]1C 566379957 XGWAAUYXJSXDJI-CJAUYULYSA-N 439.515 5.151 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ncc(-c2ccccc2)o1 566650718 WPBXJEDXKUZRIV-INIZCTEOSA-N 425.448 5.283 30 20 IKED Cc1cc(Br)cc(C)c1NC(=O)c1ccc(COc2ccccc2C#N)o1 603964291 AUYBQSZDXQUCRS-UHFFFAOYSA-N 425.282 5.362 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)s1 604344029 NFMHPZGEEYQVQV-UHFFFAOYSA-N 431.542 6.025 30 20 IKED N#C[C@@H](C(=O)c1cccc(Oc2nccs2)c1)c1nc(-c2c(F)cccc2F)cs1 606144127 AXHHMKFAVZGUNI-AWEZNQCLSA-N 439.468 5.827 30 20 IKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(C(F)(F)F)c1 608855536 HWEXVLLFUXOEHZ-GOSISDBHSA-N 437.849 5.073 30 20 IKED N#Cc1ccc(NCC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCC3)cc1 609532843 VGEHXSJSRXGEKF-UHFFFAOYSA-N 430.558 5.436 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)NCc3ccc(Oc4ccccc4)nc3)c2)cc1 609647874 WOGZGZLWZKXWOR-UHFFFAOYSA-N 435.483 5.255 30 20 IKED C[C@H]1CN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C[C@@H](c2ccccc2)O1 609731029 ODMZZHHRSKIVGW-XDHUDOTRSA-N 432.907 5.606 30 20 IKED COc1cc(C[S@@](=O)Cc2cccc(Cl)c2)ccc1OCc1cccc(C#N)c1 609742967 FQTAHMQAWOGDQL-LJAQVGFWSA-N 425.937 5.248 30 20 IKED N#Cc1ccccc1COc1cccc(CNCCc2nc3ccccc3n2C(F)F)c1 609919209 OKSFOLOZODREDI-UHFFFAOYSA-N 432.474 5.214 30 20 IKED C=CCCCCCN(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 610051558 UXDIOJYFSZXTJG-UHFFFAOYSA-N 427.467 5.035 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cc(CCc3ccccc3)[nH]n2)cc1 610124813 BAXGYBNQHPSXIS-UHFFFAOYSA-N 438.556 5.611 30 20 IKED CC(C)(C#N)CCSc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1 610285766 BHRNRQVKTGIUFE-UHFFFAOYSA-N 428.359 5.124 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1cccc(C#N)c1 610324638 PTHAEJMHRLQUGK-CYBMUJFWSA-N 444.388 5.786 30 20 IKED N#C[C@@H](C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccc2ccccc2n1 613290885 OLRDSMSBRJIIGN-MRXNPFEDSA-N 431.904 5.692 30 20 IKED N#C[C@H](C(=O)c1ccccc1NC(=O)c1ccsc1)c1nc2ccccc2n1C(F)F 613404921 WOMASRCZMLUNEJ-OAHLLOKOSA-N 436.443 5.235 30 20 IKED CCCc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)[nH]c(C)c1C(C)=O 613405260 VYCGOEZKEIXBAG-AWEZNQCLSA-N 433.455 5.597 30 20 IKED CO[C@@]1(C(F)(F)F)CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 614898073 LHDVRCVGMGQWBO-NRFANRHFSA-N 434.483 5.034 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1-c1ccc(Cl)cc1 617895925 DIAXQRMTWSGJLG-AWEZNQCLSA-N 447.391 5.866 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 618766167 GXUMMWMECJGOIO-SJORKVTESA-N 427.348 5.167 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(Br)ccc1F 642158800 YZYMCGRLYLHLKJ-MBTKJCJQSA-N 436.165 5.228 30 20 IKED CCOc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc(OCC)c1OCC 642281333 AGTZUGQXBUKDLW-GOSISDBHSA-N 436.533 5.496 30 20 IKED N#C[C@H](C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nc(-c2ccccc2)cs1 642281867 VGCVZOWLYPATKE-GOSISDBHSA-N 429.526 5.614 30 20 IKED C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 669809539 ZHSXFEOKGGVCIC-ROUUACIJSA-N 447.514 5.268 30 20 IKED O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 679383404 BKRFZZOUBRBWAM-YQQAZPJKSA-N 438.387 5.534 30 20 IKED N#C[C@@H](C(=O)c1cnn(CC(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 682497874 LQTMASUKXTWKPG-LBPRGKRZSA-N 445.253 5.366 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(F)c(C(F)(F)F)c(F)c3)n2)cc1 683222191 NDXYASLHKBHPKE-CYBMUJFWSA-N 438.377 5.606 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=NNc1ccc(OC(F)F)cc1 726427123 QQYSBUKZGWLHCC-UHFFFAOYSA-N 425.266 5.594 30 20 IKED O=C(/C=C/c1ccc(N2CCOCC2)c(F)c1)c1cc2cc(Br)ccc2o1 727263579 DNPSNTAQVOBLQU-GORDUTHDSA-N 430.273 5.067 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3c(Cl)nc4ccccn34)cc2Cl)c1 728029130 IPBWXBNEDJGJSF-UHFFFAOYSA-N 437.286 5.344 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1 728116673 ONZJMDJYUQJEIR-LADGPHEKSA-N 449.476 6.730 30 20 IKED N#Cc1cc(NC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)ccc1F 728181240 WAGDEDMLNDNFGT-UHFFFAOYSA-N 447.267 5.322 30 20 IKED Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728298587 WXGAKNIGQXTGNC-MOPGFXCFSA-N 431.511 5.263 30 20 IKED N#CCOc1ccc(CSc2nnc(Cc3cccs3)n2CCc2ccccc2)cc1 729242722 YXMBTKSQIQOPDX-UHFFFAOYSA-N 446.601 5.368 30 20 IKED N#CCn1c(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)cc2ccccc21 729769879 XDMYOJIKXFJTRB-UHFFFAOYSA-N 439.496 5.151 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1cccc(OCc2cccc(C)c2)c1 729948575 FWOAAFOEZALCSW-UHFFFAOYSA-N 435.527 5.252 30 20 IKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC(OC3CCC(C)CC3)CC2)c1=S 731026976 QIXFQNJTTMYMOW-UHFFFAOYSA-N 444.620 5.423 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(O[C@H](C)c3ccccc3)cc2C)c1 733844633 RCEZLFAMWWKXCE-OFNKIYASSA-N 443.547 6.138 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(OCc4cccnc4)cc3)c2)c1 734321756 WXMGUQGWAUJTGP-UHFFFAOYSA-N 435.483 5.364 30 20 IKED Cc1cc(Cl)cc2nc(SCC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)oc12 735234627 OPQGJJUZIWOJKD-OAHLLOKOSA-N 439.949 5.882 30 20 IKED CC(C)CN(CCC#N)C(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 735468313 KTBRVICIWICHSS-UHFFFAOYSA-N 433.339 5.649 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1 738896347 OFWLTCCUEAKLKT-DHLKQENFSA-N 441.506 5.608 30 20 IKED CSc1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 741113659 OEKIWYROMXVCMX-WFASDCNBSA-N 430.501 5.454 30 20 IKED C#CCOc1ccc(C(=O)N(CC)[C@@H](c2ccc(Br)cc2)c2cccnc2)cc1 741561488 JIMPQGHIQAEHNL-QHCPKHFHSA-N 449.348 5.108 30 20 IKED O=C(/C=C/c1ccc(-c2c(F)cccc2F)o1)c1ccc(S(=O)(=O)CC(F)F)cc1 741852122 KAFCJCCZSBOWDA-UXBLZVDNSA-N 438.398 5.160 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1NC(=O)OC(C)(C)C 742649846 RLZRXTDYBWNIRD-HNNXBMFYSA-N 425.554 5.846 30 20 IKED CC(C)(CNC(=O)c1ccccc1SCC#N)Sc1ccc(Br)cc1 742730723 PPPUPRLCCAPYBA-UHFFFAOYSA-N 435.412 5.365 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(Cl)cc2cccnc12 745023098 VXBWIGWSXCIVJY-AWEZNQCLSA-N 439.924 5.078 30 20 IKED CC/C(=C/C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccc(Cl)c1 745756516 AQNOXHVOHMXLBJ-GDGUIRGDSA-N 442.968 5.710 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@@H]3C[C@H](O)c3ccc(F)cc3)c2)cc1 746248753 FWDUFHLKALSJHT-RSXGOPAZSA-N 444.506 5.005 30 20 IKED C[C@H](OC[C@H]1CCCCO1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 746416965 SOOLEPVVGLQVFW-BJJXKVORSA-N 439.364 5.267 30 20 IKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 746659533 KIJMWWPNGONVQO-SBUREZEXSA-N 437.465 6.586 30 20 IKED COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)Nc2ccc(F)cc2OCC#N)c1 752739217 PBPSPFLHRGUSLS-RDGATRHJSA-N 445.494 5.499 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1cc(Cl)sc1Cl)c1nc2cc(Cl)ccc2s1 756241886 MEDCCCQUQPXUJA-JTQLQIEISA-N 443.764 6.157 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3cccc(OC(C)(C)C)n3)n2)cc1 758516968 JPPNPLUOZKFEPX-IBGZPJMESA-N 435.549 5.200 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] 761268043 ZKWRTIUPBBOASP-ZDUSSCGKSA-N 444.417 5.132 30 20 IKED CSc1cc(C(=O)OCC(=O)Nc2ccccc2SCC#N)c(Cl)cc1Cl 761302785 HJPDKLGRNGDMGE-UHFFFAOYSA-N 441.361 5.126 30 20 IKED N#C[C@@H](C(=O)[C@H]1CCCN1Cc1ccc(F)cc1)c1nc(-c2c(F)cccc2F)cs1 768791223 YECJYBLGQIBTAX-OXJNMPFZSA-N 441.478 5.068 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C\c2cccc3nccn23)C(=O)c2ccccc2)c(Cl)c1 769609051 WIGYLVSIXXLHAS-HKWRFOASSA-N 429.907 5.510 30 20 IKED Fc1ccc(-n2nc(CON=Cc3cccc(OCc4ccncc4)c3)c3c2CCC3)cc1 771653074 KOZCMHHFIMELOM-UHFFFAOYSA-N 442.494 5.025 30 20 IKED CCC(C)(C)N/C(S)=C(/C(O)=C1C=CC(=NC(C)=O)C=C1)[n+]1ccc(C(C)(C)C)cc1 773937852 HTQHDPAEXDFQKW-UHFFFAOYSA-O 440.633 5.031 30 20 IKED COc1ccc(Cl)cc1[C@@H](CC(C)C)NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N 775454084 JPSQHFSYCZEUGQ-TZIWHRDSSA-N 448.954 5.263 30 20 IKED CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)Cc2ccccc2CC#N)c1 776764214 PKXPWLCPNUFIBF-HXUWFJFHSA-N 425.532 5.044 30 20 IKED C=CCC[C@H](C(=O)OCc1csc(N(C(C)=O)c2ccccc2F)n1)c1ccccc1 778553499 WNWOQOWPRZAUBN-FQEVSTJZSA-N 438.524 5.760 30 20 IKED COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccccc1SCc1ccc(C#N)cc1 779188786 ZUCXOFBHLVQLCU-QGZVFWFLSA-N 446.528 5.043 30 20 IKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OC1CCC(Nc2ccc(C#N)cc2C)CC1 779234693 OTQLWCQGYKSSTN-QGPIEZSZSA-N 443.547 5.097 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)cc3F)C2)cc1 779398173 WOFNMUWVEDRONL-ISKFKSNPSA-N 433.458 5.226 30 20 IKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccccc2)nc2cc(C)c(C)cc12 780306314 UXTAPSBRJYRLQT-JOCHJYFZSA-N 449.510 5.488 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)c1 781446814 DCRMUFDJCIXABV-MRXNPFEDSA-N 428.366 5.115 30 20 IKED C[C@@H](OC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(C#N)cc1 782463663 RFWCKMPDHUSSRL-CQSZACIVSA-N 449.850 5.290 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)Nc1ccc(SC(C)(C)C)cc1 784259168 YJPFEXAEHSWSMD-OAHLLOKOSA-N 427.595 5.549 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cc2ccccc2n1CC(F)(F)F 786306000 JJSHSPOVUURKPP-GOSISDBHSA-N 435.405 5.318 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)[C@H](C)c1ccc(Cl)s1)c1ccc(Cl)cc1Cl 787049975 NOKVJEKUAVAVQN-GBIKHYSHSA-N 429.756 5.398 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 787137059 GUHVYPWMMKLTLL-MGPQQGTHSA-N 434.970 5.081 30 20 IKED N#Cc1cc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)ccc1F 790144953 MHGUXIUXKKFZDB-UHFFFAOYSA-N 425.803 5.090 30 20 IKED C[C@H](CC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 797569139 AWXPGMQUSBHQAJ-IKGGRYGDSA-N 433.618 5.290 30 20 IKED N#C[C@H](C(=O)/C=C/Sc1cc(F)ccc1F)C(=O)Nc1ccc(Cl)cc1Cl 797942560 FXTBDYJGPLEJCE-BTDICHCPSA-N 427.259 5.225 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1=S 800864556 MTYKNRGRRRBARZ-QGZVFWFLSA-N 437.535 5.064 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 802560735 JCZVNLWUZBLUPZ-IFMALSPDSA-N 437.975 5.174 30 20 IKED Cc1nn(C)c2sc(C(=O)/C=C/c3cn(-c4ccccc4)nc3-c3cccnc3)cc12 806578596 IJRYTIQFARAHFD-ZHACJKMWSA-N 425.517 5.087 30 20 IKED C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1ccc(C(F)(F)F)nc1Cl 816764528 WQQNZAJWDBEYHC-CYBMUJFWSA-N 429.829 5.783 30 20 IKED Cc1nc(SCC(=O)O[C@H](C)c2nc3ccccc3n2C(F)F)c(C#N)c(C)c1C 823691650 UDAFWMNMROGECA-CQSZACIVSA-N 430.480 5.020 30 20 IKED COc1cc(-c2noc(-c3cccc(Nc4ccc(C#N)cc4)c3)n2)cc(OC)c1OC 904674892 SFUUTJAOHISBMW-UHFFFAOYSA-N 428.448 5.045 30 20 IKED Cc1sc2ncn(N=Cc3cc(Br)cs3)c(=O)c2c1-c1ccccc1 916283978 FFCHNIHYVGYFQA-UHFFFAOYSA-N 430.352 5.140 30 20 IKED COc1ccc(C=NN2C(=O)c3cccc4cccc(c34)C2=O)cc1OCc1ccccc1 916306269 QJJZMPOWFARFHK-UHFFFAOYSA-N 436.467 5.058 30 20 IKED N#C[C@@H](C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1nc2ccccc2o1 917509862 FGTNHVRPLJRAHT-CVDCTZTESA-N 432.932 6.180 30 20 IKED CCOc1cc(C#N)ccc1OC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 919984893 VWRBMPRXYKSIFS-UHFFFAOYSA-N 440.455 5.104 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4ccccc4)n3)n2)cc1 920141512 PRQBWMPVNHDKCO-IBGZPJMESA-N 426.526 5.224 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)c(Br)cc1O 921265607 NENOASGCWYAAQM-VOTSOKGWSA-N 443.249 5.018 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)(C)C)cc4)CCC3)cc2)C1 1785810457 TYFKIDSAZATBLA-UHFFFAOYSA-N 432.564 5.578 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C4CC(C)(C)C4)cc3)CCC2)c1 1791653149 VMAHTILUBCPAKX-SFHVURJKSA-N 429.564 5.498 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)[C@@H]1c1cccnc1 1810504417 ZOQLDCAZVULBGR-HIGZBPRKSA-N 439.644 5.296 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccnc3ccccc23)n[nH]1 1818443884 IPLFHMITUGPTEL-JOCHJYFZSA-N 445.567 5.256 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc[nH]c3cc2Cl)n[nH]1 1818745495 XDVKPKXZVHLNEG-XOBRGWDASA-N 439.947 5.063 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ccncc23)n[nH]1 1821416701 OJIODGVZPCXVMB-XXBNENTESA-N 443.551 5.032 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3sccn3c2)CC1 1827405788 CAAZYEVJNMCYOJ-NRFANRHFSA-N 441.641 5.227 30 20 IKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)CC1 1828606236 IBVSOPFWEWKLOB-NRFANRHFSA-N 440.584 5.077 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(OCC)c2)CC1 1828827350 LRUPFJKUQARFNW-DQEYMECFSA-N 438.612 5.087 30 20 IKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCCC(C)(C)C)CC1 1830418960 IGLQKDAFRCTOAC-GGAORHGYSA-N 449.680 5.404 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 1831566250 CKJUTEJWEXOLCR-CEMLEFRQSA-N 438.603 5.280 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H]3CC[C@H](C)CC3)CC2)c1 1832373754 ZYBXOURAJQIIDR-IBVSPSLBSA-N 449.639 5.373 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@]2(F)CCCC=C2F)CC1 1832981380 UVCLHVGAGSJVOE-TYBLODHISA-N 434.571 5.120 30 20 IKED CCOc1ccc(-n2c(COc3ccc(Cl)cc3C)nnc2S[C@@H](C)C#N)cc1 8622030 BFCISGUQIVCFCN-HNNXBMFYSA-N 428.945 5.211 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)n(C)c1C)=C(/S)Nc1ccc(Cl)cc1 10832414 IQXVHUQPFUGBLE-UHFFFAOYSA-O 426.993 5.196 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2Oc2ccccc2)nc2ccccc2c1=O 15231193 WDWAUJJDMBWFPF-UHFFFAOYSA-N 443.528 5.106 30 20 IKED Cc1cccc(-n2c(SCC(=O)Nc3ccc(CC#N)cc3)nnc2-c2ccccc2)c1 20067739 YQLXZODTECNINR-UHFFFAOYSA-N 439.544 5.040 30 20 IKED C=CCn1c(SCc2c(C(=O)OCC)oc3ccccc23)nnc1-c1ccccc1OC 21673612 SABGXWWXYZLCOJ-UHFFFAOYSA-N 449.532 5.355 30 20 IKED N#CCCN(C(=O)COC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1ccccc1 22615716 MVQPUYGLYYUSCG-DEOSSOPVSA-N 430.529 5.010 30 20 IKED CC(C)(C)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)NCc2ccccc2)cc1 22730706 MINRBHFUIUQAJL-UHFFFAOYSA-O 439.551 5.278 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCCN(Cc2ccccc2)CC1 46642397 RBSNIEDVHBHSMJ-UHFFFAOYSA-N 427.573 5.058 30 20 IKED O=C(/C=C\c1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc([N+](=O)[O-])cc1 108860920 GHIVCZQXLBRHNM-OPCYYNASSA-N 428.400 5.295 30 20 IKED CSc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1[N+](=O)[O-] 195640040 ZUZUHWNLICHFHS-UHFFFAOYSA-N 433.489 5.214 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c1 195662800 GIORSUQFYMHBKW-JOCHJYFZSA-N 436.496 5.146 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3cccnc3OCC(F)(F)F)cc2)c1 303394061 YQIRHUZDAGRSKE-UHFFFAOYSA-N 442.397 5.008 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 303871832 XQIJNWNLMSDTHT-UHFFFAOYSA-N 429.442 5.166 30 20 IKED CCC(C)(C)NC(=O)c1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)cc1Cl 428143202 UXBSWPBLSHDMGZ-UHFFFAOYSA-N 439.968 5.906 30 20 IKED C[C@@H](CCC(=O)Nc1ccc(C#N)cc1Cl)CC(=O)Nc1ccc(C#N)cc1Cl 430362834 UKSVTQFMJYKAQM-ZDUSSCGKSA-N 429.307 5.120 30 20 IKED N#CCSc1cccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 431025982 VJIAGEOIKCXICW-QGZVFWFLSA-N 438.940 5.025 30 20 IKED CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 431983834 XKNYQNLPKNCVEI-NRFANRHFSA-N 449.942 5.979 30 20 IKED CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 432033730 VBJWCOQBBDTUOW-OAQYLSRUSA-N 445.523 5.335 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)Nc1cccc(Cl)c1SCC(F)F 432324266 GSFFPNCPIPMGEO-UHFFFAOYSA-N 437.899 5.316 30 20 IKED CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)N[C@@H](CCCC#N)c3ccccc3)cc21 432903536 JYTWSOGEZPVUEU-FQEVSTJZSA-N 434.540 5.015 30 20 IKED Cc1cc(Br)cc(C)c1NC(=O)CCCN[C@H](CCCC#N)c1ccccc1 433026351 PGYMAMCPMJZJRS-OAQYLSRUSA-N 442.401 5.809 30 20 IKED COc1ccc(C#N)cc1CSc1nnc(COc2ccccc2Cl)n1C1CC1 435139525 XCZJZARGWJGBEQ-UHFFFAOYSA-N 426.929 5.018 30 20 IKED CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 435289959 PGDVVBFXJMLEDV-IERDGZPVSA-N 427.545 5.014 30 20 IKED N#Cc1ccc(F)c(CNC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c1 437541894 XTRNHMMGZHKZCS-UHFFFAOYSA-N 434.418 5.085 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(NC(=O)c2cccs2)c1 437675025 GHKNRSLEDPEBBM-NHCUHLMSSA-N 430.533 5.304 30 20 IKED Cn1nccc1[C@H]1CCCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 439350031 LUCBFFKSWKJPEH-OAQYLSRUSA-N 435.915 5.497 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3nc(-c4cccs4)cs3)c2)cc1 439392357 MELTZAXWIHTLDF-UHFFFAOYSA-N 446.513 5.113 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3ccccc3CC(F)(F)F)c2)cc1 439395585 HYRMKAPIXAQKOV-UHFFFAOYSA-N 439.393 5.033 30 20 IKED CC(C)[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccc(C(F)(F)F)cc1 439649903 DDSPOSNZTACNFY-QFIPXVFZSA-N 431.458 5.199 30 20 IKED C=CCN(C(=O)c1ccc(OC2CCC2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 443814083 GSTQSFREYAAMGZ-UHFFFAOYSA-N 435.505 5.482 30 20 IKED Cc1cc(C)c(Br)c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 460686912 VJQIQCLFTLRCBA-UHFFFAOYSA-N 448.320 5.442 30 20 IKED COc1ccccc1[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1cccs1 461486722 HQHPHEKZNFSNLA-QFIPXVFZSA-N 441.560 5.277 30 20 IKED CS(=O)(=O)c1cccc([C@@H](Nc2cc(C#N)c3ccccc3n2)c2ccc(Cl)cc2)c1 462922737 DHKYDPPNECRKKT-DEOSSOPVSA-N 447.947 5.365 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)Cc2nc([C@@H](C)OCC(C)C)no2)cc1 464802124 MGIDWWWGZDVADX-GOSISDBHSA-N 448.523 5.048 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(CS(=O)(=O)C(C)C)cc2)cc1 464929490 BAGOZNGTKNMJHN-UHFFFAOYSA-N 448.544 5.235 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1CN(C)c1ccccc1 468842676 DMYKIDANUAHDCY-UHFFFAOYSA-N 429.520 5.001 30 20 IKED CCCc1cccc(C(C)C)c1NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 471889518 XDYHRQDGRGYSNP-UHFFFAOYSA-N 441.579 5.536 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3ccccc3O[C@@H](C)c3ccccc3)C2)n1 471900350 DWDFGWKELJYBCI-REWPJTCUSA-N 440.547 5.257 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Br)c(Cl)c1 477999814 RMHQSWODXIZMLI-UHFFFAOYSA-N 425.758 5.490 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1 480762680 KSZWANUFSQULPA-UHFFFAOYSA-N 444.944 5.536 30 20 IKED CC(C)(C)[C@@H]1C[C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCO1 482984432 ASXHESVOTMWAOT-DWLFOUALSA-N 425.960 5.711 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[C@@H](C#N)c3nccc4ccccc34)cc12 483204499 RLPVTNAWYRNDFK-NRFANRHFSA-N 440.503 5.632 30 20 IKED C=CCn1c(S[C@H](C)c2cc([N+](=O)[O-])ccc2C)nnc1[C@H]1COc2ccccc2O1 484570887 SDSBOLLCUIJBME-FOIQADDNSA-N 438.509 5.047 30 20 IKED N#CCCN(C(=O)CCc1nnc(-c2cc3ccccc3o2)o1)C12CC3CC(CC(C3)C1)C2 486589767 VNEDAPKVJXJMHT-UHFFFAOYSA-N 444.535 5.126 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)NC34CCC(C(F)(F)F)(CC3)CC4)c2)c1 488403537 YTWGBDUPQIWWKV-UHFFFAOYSA-N 428.454 5.522 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3c[nH]cc3-c3ccccc3F)c2)cc1 494359036 XRQUCODTMFBXJF-UHFFFAOYSA-N 425.463 5.718 30 20 IKED CC(C)Cn1ncc(C(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)c1C(F)F 499350767 OIRMYFITZFBLFU-AWEZNQCLSA-N 441.347 5.112 30 20 IKED C=CCN(C(=O)CSc1ccc(F)c(F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 500290474 FBVFQXJTHQWISN-UHFFFAOYSA-N 447.488 5.308 30 20 IKED COc1cc(OC)c(NC(=O)c2sc3ccc(C#N)cc3c2C)cc1Br 501517798 JLRBKNALUVILDZ-UHFFFAOYSA-N 431.311 5.113 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(OC)c1OC1CCCC1 503504800 LBSRJBWBIDTYEY-UHFFFAOYSA-N 434.989 5.629 30 20 IKED Cc1cc(NC(=O)[C@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)nn1CCC#N 504358029 CGSFMOXTWWVRFL-HXUWFJFHSA-N 429.307 5.171 30 20 IKED CC1(C#N)CCN(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)(F)F)CC1 506633066 DZKWBWTYSBPHGN-UHFFFAOYSA-N 425.398 5.517 30 20 IKED CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 508304631 VGGRPIQFUSNUEV-UHFFFAOYSA-N 441.940 6.128 30 20 IKED CCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C)[C@@H](C)c1ccc(C#N)cc1 509575909 RMQBCENPDZRABT-IBGZPJMESA-N 437.547 5.774 30 20 IKED CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509912164 OKVAGKFAJAOXPH-UHFFFAOYSA-N 439.968 6.101 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 511696159 UDCIHBUFEBPGBH-AWEZNQCLSA-N 430.455 5.538 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc(OC)c1C(C)C 512719444 BQMMFQBPLBGZIU-SFHVURJKSA-N 431.517 5.312 30 20 IKED C=CCn1c(SC[C@H](C#N)CCC#N)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 515328085 RRHFMJNMAWGTFV-HNNXBMFYSA-N 438.553 5.294 30 20 IKED CCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 515518970 SELVVANPOASIEU-UHFFFAOYSA-N 437.270 5.095 30 20 IKED COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)[C@H](C#N)c2nc3ccccc3o2)c1 515597578 QOCHFCSZAGVHTH-NRFANRHFSA-N 448.482 5.488 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)n1 516345498 QISXKQMMKZOXSQ-GOSISDBHSA-N 443.484 5.132 30 20 IKED Cc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c2cc(Br)ccc2n1 517461044 MBXSZCLUGYXXRL-ZDUSSCGKSA-N 440.366 5.810 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)CCc1ccc(Br)cc1 518164852 GHWOHCLJIMMGRC-HNNXBMFYSA-N 432.387 5.407 30 20 IKED CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 518694342 JCWNUURHJPFFEX-QGZVFWFLSA-N 439.943 5.227 30 20 IKED CN(Cc1ccccc1-c1ccccc1)C(=O)CCC(=O)N(CCC#N)c1ccccc1 521310729 NZEDYTUYAKKLBV-UHFFFAOYSA-N 425.532 5.039 30 20 IKED C=C(C)CN1CCC(NC(=O)Nc2ccc(Oc3cccc(F)c3)c3ccncc23)CC1 521589360 YOMCKERPFYDXAT-UHFFFAOYSA-N 434.515 5.328 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)NCc2cccc(COc3ccccc3)c2)c1 522533045 SJUPHSDBXDOMBX-UHFFFAOYSA-N 438.483 5.239 30 20 IKED COc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1-c1ccccn1 533650167 RBBMHYCQOKUBHI-UHFFFAOYSA-N 435.483 5.460 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc4c3CN(c3nccs3)C4)c2)cc1 535500966 PUEKOMAROZFCKR-UHFFFAOYSA-N 437.528 5.531 30 20 IKED N#CC1(c2ccc(C(=O)Nc3ccc(NC(=O)c4ccoc4)cc3C(F)(F)F)cc2)CC1 537433002 FPQOFZCDWFOEKE-UHFFFAOYSA-N 439.393 5.358 30 20 IKED CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@@H](c1ccc(Cl)cc1)c1cccnc1 550646500 FASIFTWTJWUXOE-IBGZPJMESA-N 444.844 5.272 30 20 IKED Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)CCC2 558373485 KJGQLTKEPMHZGT-QHCPKHFHSA-N 446.576 5.638 30 20 IKED C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 570703131 KOQNWPKPYYWXJI-MMEWPQADSA-N 449.407 5.373 30 20 IKED COCCCOc1ccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)cc1 579386828 QPWZRXWVNKBVDL-UHFFFAOYSA-N 432.545 5.055 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1F)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 590235176 TVWJSXNNTNPTHW-NSHDSACASA-N 435.343 5.113 30 20 IKED CC(=O)c1ccc(NC(=O)[C@@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 594785830 WNGITJLQEBTHQD-CYBMUJFWSA-N 435.471 5.353 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)ccc1OC(C)C 603689255 FELPCSXKEGMQMS-QGZVFWFLSA-N 446.507 5.424 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CSCc3coc(-c4ccccc4)n3)cn2)cc1 603764730 KONXJLTWRZXMLM-UHFFFAOYSA-N 442.500 5.272 30 20 IKED CCOc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1OCC 603921384 WPNXUHDZXMZVFV-UHFFFAOYSA-N 430.504 5.381 30 20 IKED CC(C)NC(=O)CSc1ccccc1C(=O)Nc1sc2c(c1C#N)CCCCCC2 603996098 JEBOBWIYYBGPSI-UHFFFAOYSA-N 441.622 5.148 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@H](C#N)c1ccc(F)cc1 604130038 LHCMAYRJPTYPBD-QGZVFWFLSA-N 427.888 5.096 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(C(F)(F)F)nc1C 609061730 WUSLNTBFSGGFKZ-UHFFFAOYSA-N 425.410 5.420 30 20 IKED Cc1ccc(OCCN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 609078335 JFESUBNTCAFBFI-UHFFFAOYSA-N 429.520 5.297 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)Nc1cc(C#N)ccc1OC(F)F 609082499 NBNMEKRCRABXFD-ZDUSSCGKSA-N 428.464 5.474 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(Br)cc3)cc2F)c1 609105544 AQOSYAPZXZHTSE-UHFFFAOYSA-N 425.257 5.291 30 20 IKED Cc1ccc(NC(=O)[C@H](C)Nc2ccccc2SC[C@@H](C)C#N)c(Br)c1 609387014 FTCRWUICKDRRCH-GJZGRUSLSA-N 432.387 5.448 30 20 IKED C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)NC(c1ccccc1)c1ccccc1 609387236 UOUVTANOGXVXBP-UXHICEINSA-N 429.589 5.645 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(Cl)c2c(c1)OCCO2 609388026 BZZFKZKWLHQIOW-CQSZACIVSA-N 448.997 5.235 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1ccn(-c2cccc(F)c2)n1 609389679 XZBBLJVIBSLUFB-INIZCTEOSA-N 440.569 5.135 30 20 IKED CCCCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C1CC(C)(C)NC(C)(C)C1 609518237 QWQOVDSFUCDBHW-UHFFFAOYSA-N 434.584 5.297 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 609682794 UCVNJWDVFKHHKU-RDJZCZTQSA-N 448.514 5.500 30 20 IKED CC(C)C(=O)Nc1ccc(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 609722907 NZHWFUUTGTXLGA-UHFFFAOYSA-N 447.922 5.528 30 20 IKED COc1cc(C[S@@](=O)Cc2c(F)cccc2Cl)ccc1OCc1cccc(C#N)c1 609743069 RPVSGBCLLDSNND-SSEXGKCCSA-N 443.927 5.387 30 20 IKED C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](C#N)c1ccccc1Br 609993917 CIHMFQXJGHGUKQ-PXAZEXFGSA-N 425.248 5.028 30 20 IKED N#Cc1cc(N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)ccc1[N+](=O)[O-] 613275547 HXUCGNZBPOKWEI-QHCPKHFHSA-N 447.539 5.160 30 20 IKED O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618556394 OBFPNCGVXHETPM-UXLLHSPISA-N 440.403 5.829 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N[C@H]3CCc4cc(C#N)ccc43)s2)cc1 618813001 KVJGOHNDSJOLDE-VFNWGFHPSA-N 432.549 5.047 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccccc2Cl)c1)c1nc(-c2c(F)cccc2F)cs1 622650279 JHIPTJZYUKKGBH-ZDUSSCGKSA-N 440.862 5.417 30 20 IKED CCc1nc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)nn1-c1c(Cl)cccc1Cl 623584348 PJEMKVRXODXOTC-AWEZNQCLSA-N 436.302 5.175 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1nc2ccccc2n1C(F)F 642282310 BWAHTDUAVRSRAW-INIZCTEOSA-N 443.413 5.367 30 20 IKED COc1ccc(C(=O)N2CCCCCC2)cc1NC(=S)Nc1ccc(C#N)c(Cl)c1 726488091 XFGJOLABCLMZNT-UHFFFAOYSA-N 442.972 5.045 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(C2SCCS2)cc1 727997377 ZRALIEAXVREQAU-UHFFFAOYSA-N 446.597 6.177 30 20 IKED N#C[C@@H]1C(CN2CCC[C@H]2c2ccccc2C(F)(F)F)=CC(=O)n2c1nc1ccccc12 728061728 YXPNJQSOJCFPIO-XLIONFOSSA-N 436.437 5.080 30 20 IKED CCc1cccc(CC)c1-n1c(-c2cccnc2)nn(CN(CCC#N)CC2CC2)c1=S 728904642 ORZQFTOBTSQKHR-UHFFFAOYSA-N 446.624 5.173 30 20 IKED Cc1nc(CCC(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)oc1-c1ccccc1 730395864 JOACYDQVNDQORV-GOSISDBHSA-N 442.302 5.237 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 730685666 BCPUJSZYVAMNKH-CEXWTWQISA-N 429.347 5.569 30 20 IKED C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 730691778 MJUIEOKOYVYLKU-UGSOOPFHSA-N 440.355 6.044 30 20 IKED O=C(/C=C/c1ccc(OCc2occc2C(=O)O)cc1)c1ccc(Br)s1 730951095 KTTVANNMLJJKCK-ZZXKWVIFSA-N 433.279 5.277 30 20 IKED Cc1cccc(-c2nnc(COC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)o2)c1 731988397 SDNYKSGJTVQINO-UHFFFAOYSA-N 425.444 5.260 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)OCc3nnc(-c4cccc(Cl)c4)o3)cc2)cc1 732377487 OHNHZKFFOPANRD-UHFFFAOYSA-N 445.862 5.605 30 20 IKED CCc1oc2ccccc2c1CN(C)C(=O)NCc1ccc(OC)c(O[C@H](C#N)CC)c1 733655038 WCTYHXSYVDNKNH-SFHVURJKSA-N 435.524 5.026 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)/C(=C\c2ccccc2OC)c2ccccc2)c1 733773147 RIGDBAYKKKDZHB-XQGNUGGCSA-N 426.516 5.233 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)c1 733842852 CALDJIVTLPWZKI-JOCHJYFZSA-N 442.519 5.250 30 20 IKED CCCCC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)C(C)(C)C 734698389 LNJFHCVVRGTZFE-NRFANRHFSA-N 436.556 5.104 30 20 IKED CC(C)=CC(=O)NCc1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 742636500 RSOBBHACXVEEIK-UHFFFAOYSA-N 425.488 5.185 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=S)N[C@H]2CCc3ccccc3C2)cc1 742992124 IPWOJUTUUNVXTA-VWLOTQADSA-N 429.564 5.132 30 20 IKED C[C@H](c1cccs1)N(CC(=O)[C@H](C#N)c1nc2ccccc2s1)Cc1ccccc1 746156330 IXKZPTPIUDQVSI-MJGOQNOKSA-N 431.586 5.797 30 20 IKED CC(=NNc1nc2ccccc2c(=O)n1-c1ccc(C)cc1C)c1c(C)nn(C(C)C)c1C 746489645 ZVDJXEDDSMTPQL-UHFFFAOYSA-N 442.567 5.233 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)cc1 747375335 DULBXLSPZIOVJA-YTFSRNRJSA-N 431.333 5.847 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 748004532 ZZOMRHCFDWDENT-IFXJQAMLSA-N 448.504 5.193 30 20 IKED CC[C@H](C)Oc1cc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1OC 749444864 YOFCNPKSPMDURS-INIZCTEOSA-N 447.560 5.502 30 20 IKED C[C@@H](SCc1cccc(OC(F)F)c1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 750006521 ISFGQSVLBORNNM-SSDOTTSWSA-N 427.341 5.244 30 20 IKED Cc1ccnc2[nH]c([C@H](C#N)C(=O)CS[C@@H](c3ccccc3)c3ccc(Cl)cc3)nc12 750730346 PSHCLISNCWXSNW-KNQAVFIVSA-N 446.963 5.619 30 20 IKED CCCCCCN(C(=O)c1cc(C#N)cn1C)c1nnc(-c2ccc(Cl)cc2)s1 751292723 ZNOCVNMTCNIAKB-UHFFFAOYSA-N 427.961 5.296 30 20 IKED CCN(C(=O)c1ccc2c(ccn2CCCNC(=O)OC(C)(C)C)c1)c1ccc(C#N)cc1 753178240 FYLFPRNCWNYRIZ-UHFFFAOYSA-N 446.551 5.094 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)cc1 754098733 CBWLGVUCPPBTMI-DMTNHVFBSA-N 437.543 5.123 30 20 IKED CC(C)c1nn(Cc2ccccc2)c(Cl)c1C=NNc1ccc(Br)cn1 754706904 ULEXKTOAIAVORE-UHFFFAOYSA-N 432.753 5.312 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc(F)cc(C(F)(F)F)c1 756233738 OVOYTOGCFUOKTB-SFHVURJKSA-N 442.368 5.598 30 20 IKED CCOC(=O)C1C/C(=C\c2cnc(Cl)c(C)c2)C(=O)/C(=C/c2cnc(Cl)c(C)c2)C1 760266568 WGMMADZMJBWJQF-ZEELXFFVSA-N 445.346 5.409 30 20 IKED N#Cc1ccccc1N1CCC(NC(=O)c2sc(-c3ccccc3)nc2C(F)F)CC1 761776790 TVUPCDZZTVXPPD-UHFFFAOYSA-N 438.503 5.018 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1 773261335 JCWIMXQRRAOSMZ-UPVQGACJSA-N 445.494 5.610 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)O[C@@H](C#N)Cc3ccc(F)cc3F)c12 774321727 RIFXGPLYSRCOTD-OAHLLOKOSA-N 437.402 5.005 30 20 IKED C[C@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)N1c2ccccc2Sc2ccccc21 777177581 NCOUKXCBINQSKE-KRWDZBQOSA-N 440.524 5.617 30 20 IKED CC(C)(C)OC(=O)N1CCCc2c(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)cccc21 778430174 YOIFSDGUGNCUDY-UHFFFAOYSA-N 431.536 5.051 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2ccccc2O[C@H](C)C#N)ccc1OCc1ccccc1 780671596 WLDSAYHXYIAUFS-MOPGFXCFSA-N 445.519 5.448 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1C#N 781719783 JVGDBQXOHXEWLO-LBPRGKRZSA-N 444.274 5.013 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)OCc2nnc(C3CC3)n2C2CC2)c1 783165596 YSVJDQQEXCLDNR-UHFFFAOYSA-N 434.883 5.165 30 20 IKED Cc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1N1CCOCC1 783633497 YEIYVXOZRLLJNH-UHFFFAOYSA-N 443.572 5.248 30 20 IKED CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(C)c1 799215097 IGDULWSTMSKWPN-MRXNPFEDSA-N 436.364 5.282 30 20 IKED COc1ccc2occ(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c2c1 799602099 HBJBRNNDEDJYSS-IBGZPJMESA-N 426.428 5.195 30 20 IKED CC1(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)CCN(c2ccc(Cl)cc2C#N)CC1 805844547 LCUWXKSAHIOWET-FQEVSTJZSA-N 428.923 5.243 30 20 IKED C#CCN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 806258339 KITUICPLQVCTDK-UHFFFAOYSA-N 447.457 5.720 30 20 IKED Fc1ccc(-c2noc(-c3cc(OCC(F)(F)F)ccc3OCC(F)(F)F)n2)cc1 904275243 WHOOPZSGBJIIGV-UHFFFAOYSA-N 436.283 5.425 30 20 IKED N#Cc1ccc(-c2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)[nH]1 904668126 FWKNHWRGSWGDPI-UHFFFAOYSA-N 431.761 5.463 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(C3SCCCS3)cc2)cc1 915087836 XOGBTFYVXVMUGZ-QHCPKHFHSA-N 430.598 6.463 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccc2ccccc2n1 916848994 MKQVEWBOTYQYNS-IBGZPJMESA-N 433.389 5.931 30 20 IKED CCOc1cccc2c1OCC(C(=O)[C@H](C#N)c1nc(-c3ccc(Cl)cc3)cs1)=C2 916975676 DHEBBRLINDKHPZ-SFHVURJKSA-N 436.920 5.514 30 20 IKED C=CCN(C)S(=O)(=O)c1ccc(NCc2cc3ccc(SC)cc3nc2Cl)cc1 917818308 RQQWAFFXQXLGIT-UHFFFAOYSA-N 448.013 5.029 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1nc(-c2ccncc2)cs1 920265787 TURMMBVCLIQBAK-QFIPXVFZSA-N 437.524 5.711 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5sccc5[nH]4)cc3)CCC2)cc1 1789370310 POWMTSXNIVYBCA-UHFFFAOYSA-N 440.528 5.163 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)cc2)CCC1 1789995165 BCPGRKQVKOKFHY-UHFFFAOYSA-N 439.515 5.752 30 20 IKED C[C@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1)c1ccccc1 1792313520 ZMRQKSVPXAFYEU-FQEVSTJZSA-N 437.543 5.304 30 20 IKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1ccccc1C 1796470734 LZRMSSCYBPHOLB-NUNAXRQHSA-N 443.591 5.077 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(F)ccc2s1 1798088047 NGYUOMDIDFMKSF-IYWMVGAKSA-N 426.557 5.061 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc3c1oc1ccccc13)C2 1798338164 VREIVXWYDVDHST-WOZUAGRISA-N 442.559 5.606 30 20 IKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(C)C)CC2)[nH]n1 1821988146 NEURHYGGRQSXGM-ZHALLVOQSA-N 436.547 5.076 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc(F)cc(F)c2)CC1 1827178787 HVKPSBWYBLULKJ-HSZRJFAPSA-N 446.582 5.119 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc(C(F)F)c2)CC1 1828821676 PKUMSOPODNVTDQ-UNMCSNQZSA-N 445.554 5.021 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(C)ccc23)CC1 1832961927 MMBSVMBEOWAFIH-KRQJIXKBSA-N 447.623 5.321 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)/C=C/c2ccc(Cl)s2)n(C2CCCC2)c1C 11673480 WETRLZANJIPBGK-CSKARUKUSA-N 431.945 5.002 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccccc3)o2)n(C2CCCCC2)c1C 16626192 VCQZLSJHBKMRRO-UHFFFAOYSA-N 435.553 5.263 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)nnc1-c1cccnc1 18405093 BFJBXWAVXOFPNO-QFIPXVFZSA-N 441.560 5.307 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cc(C)ccc2C)cc1 22729737 ISVXKSPIAMNHLB-UHFFFAOYSA-O 425.524 5.482 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(OCC)cc2)[n+]2cccc(C)c2)cc1 22731383 FRTGTZXHDQVKEJ-UHFFFAOYSA-O 435.569 5.131 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(Nc2ccccc2OC)s1 23341434 NSKXWLUPVWOSMO-AWEZNQCLSA-N 446.623 5.047 30 20 IKED N#C[C@H](C(=O)CSc1nccn1Cc1ccccc1)c1nc(-c2ccccc2)cs1 26043150 ZHMDFDSOMKXEBM-LJQANCHMSA-N 430.558 5.023 30 20 IKED C=CCN(C(=O)c1ccc2c(c1)COC2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 64385370 MTQOMMUNEPRQBJ-UHFFFAOYSA-N 431.344 5.980 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1csc(-c2cccs2)n1 72025287 BIPZIQZHBZQABD-UHFFFAOYSA-N 431.542 6.025 30 20 IKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cnn1-c1ccccn1 107876353 QABNEPBWUJIGRJ-HXUWFJFHSA-N 427.895 5.137 30 20 IKED N#CCOc1cccc(NC(=O)c2ccccc2Sc2ccc(Br)cn2)c1 108739557 APFRFAVXCDMZHE-UHFFFAOYSA-N 440.322 5.150 30 20 IKED N#CCCCOc1cccc(/C=C2\CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)c1 207587891 INFSGFCNDKKVCO-FOWTUZBSSA-N 425.410 5.042 30 20 IKED C=CCOc1ccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(C)cc3)s2)cc1OC 210233560 RHQQBOHVNDLJGF-SFQUDFHCSA-N 441.940 5.409 30 20 IKED N#Cc1c(Cl)nsc1Sc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1 301961941 RFUJZZSVUGCFTJ-UHFFFAOYSA-N 431.333 5.115 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc2ccc(F)cc2nc1C 303209826 QQHMLHKPYYQHRQ-UHFFFAOYSA-N 425.463 5.694 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(CN2CCc3ccccc32)CC1 303522674 ZKRFUSZIAXWKII-IBGZPJMESA-N 434.609 5.245 30 20 IKED COc1ccc(Oc2ccc(S(=O)(=O)N[C@H](CCCC#N)c3ccccc3)cc2)cc1 431634696 HNYIBIMMZZTGEB-XMMPIXPASA-N 436.533 5.201 30 20 IKED CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)c2cccs2)cc1 434667522 WDDTXZPCPVTCSG-JOCHJYFZSA-N 448.592 5.144 30 20 IKED Cc1nn(CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1-c1ccccc1 435558038 UXWOYOBKHSREAG-UHFFFAOYSA-N 436.515 5.142 30 20 IKED Cc1cccc(Oc2cc(CNC(=O)CSc3nc(C)c(C)c(C)c3C#N)ccn2)c1C 437136453 LVFCSTYFMFHKKZ-UHFFFAOYSA-N 446.576 5.091 30 20 IKED N#Cc1ccc(NC(=O)C(=O)Nc2ccc(SC3CCCC3)cc2)cc1C(F)(F)F 437467201 MTNQUFIFRMLDNA-UHFFFAOYSA-N 433.455 5.189 30 20 IKED Cc1ccc(C(C)(C)CN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 437898889 RABYUURDKHHRAO-UHFFFAOYSA-N 441.575 6.082 30 20 IKED Cc1cccc(Oc2cc(CNC(=O)Nc3ccccc3SC[C@H](C)C#N)ccn2)c1C 438059744 FVTRUOSSVFCVIM-QGZVFWFLSA-N 446.576 6.064 30 20 IKED CCOC[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C1 438522919 IREGKVYDIBDXBO-INIZCTEOSA-N 447.457 5.650 30 20 IKED C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)N(C)Cc2cccc(C#N)c2)cc1 438788110 AXZQCKZVCMZMIC-SFHVURJKSA-N 429.545 5.009 30 20 IKED CC[C@H](C)[C@H](C)N(C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)C1CC1 439565071 BNZCMKNYQJIBOR-KBPBESRZSA-N 441.519 5.075 30 20 IKED CCCc1c(NC(=O)N(C)Cc2cccc(OC(C)C)c2)cnn1-c1cccc(C#N)c1 439687295 LUYMKOXPNUTAKP-UHFFFAOYSA-N 431.540 5.148 30 20 IKED CCCc1c(NC(=O)c2cc(-c3cccc(Cl)c3)on2)cnn1-c1cccc(C#N)c1 440070075 LTUUDKISCYGZGX-UHFFFAOYSA-N 431.883 5.257 30 20 IKED Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)NCC2CCC(C#N)CC2)cc1 441136178 BOJBGVALBRYLAS-UHFFFAOYSA-N 429.589 5.774 30 20 IKED N#Cc1cccc(-c2nnc(CN3CCC(COc4cc(Cl)cc(Cl)c4)CC3)o2)c1 441463928 MKCNJKZPTYAZFL-UHFFFAOYSA-N 443.334 5.206 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 443940081 RWDDUXGHHGCHQX-JKSUJKDBSA-N 438.528 5.630 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(C(=O)N[C@@H](C)c3ccc(C#N)cc3)C2)n1 446112571 QABNIMCBUMMBNH-PXNSSMCTSA-N 446.576 5.341 30 20 IKED CCCOc1cccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 446746000 RLOVUPADGUCLCD-QFIPXVFZSA-N 447.922 5.361 30 20 IKED Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 446868952 VEYISNBFBLFJJP-LBPRGKRZSA-N 436.318 5.515 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)cc1 446951365 GAHAPEZHGCECFP-XMMPIXPASA-N 440.547 5.067 30 20 IKED C[C@H](C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1cccs1)c1cccc(C#N)c1 461736403 KWPHADZBAYZPLD-SFHVURJKSA-N 426.545 5.235 30 20 IKED C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 463726895 HVVBJGLNIWLVTM-PMACEKPBSA-N 447.560 5.168 30 20 IKED Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 464935136 XDBMBIXTKKSVAL-UHFFFAOYSA-N 436.471 5.802 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2coc(-c3ccccc3)n2)cc1 466068472 NEQWQFLSJMGICN-UHFFFAOYSA-N 440.478 5.264 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1cn(C(C)(C)C)nc1C 467149416 FNEVHWIVUZCCAW-KRWDZBQOSA-N 431.540 5.802 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCO[C@H](c3ccsc3)C2)cc1 467853053 PJYZSWIYNMHMOU-QFIPXVFZSA-N 435.505 5.026 30 20 IKED Cc1c(C(=O)N(CCC(F)(F)F)CC(F)(F)F)sc2nc(C(F)(F)F)ccc12 468544568 WEAKXPXIZJJUFG-UHFFFAOYSA-N 438.315 5.580 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@@H](c3cccc(C(F)(F)F)c3)C3CC3)ccc21 469275788 RUMNMMHQURSWNF-HSZRJFAPSA-N 427.470 5.852 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(Br)c1F 469411136 BBMTXLRWIHPLGL-UHFFFAOYSA-N 447.251 5.865 30 20 IKED Cc1ccc([C@@H]2CCN(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)C2)c(C)c1 471187865 NWZSTJTXRHLPKA-LJQANCHMSA-N 449.605 5.340 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)cc1Cl 471204336 NNZSPMXTFJVBGZ-APWZRJJASA-N 435.915 5.257 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 476798596 POZRCZZPYADUCA-UHFFFAOYSA-N 434.561 5.592 30 20 IKED C=C(C)Cn1c(SCC(=O)N2CCC[C@H]2c2cccc(Cl)c2)nnc1-c1ccco1 480523178 ONQQQXXXYGXZIV-SFHVURJKSA-N 442.972 5.223 30 20 IKED N#C[C@H](C(=O)c1ccc(COc2cccc(Br)c2)o1)c1cnc2ccccc2n1 483189737 CHKOTOZMMQSUEW-KRWDZBQOSA-N 448.276 5.054 30 20 IKED Cc1onc(-c2cccc(Br)c2)c1C(=O)[C@@H](C#N)c1nccc2ccccc12 483209771 ZPRUYTDOGTUUCJ-SFHVURJKSA-N 432.277 5.451 30 20 IKED C[C@@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1cccc(Cl)c1 486241946 URWOGHNSCYFYGY-GFCCVEGCSA-N 429.958 5.238 30 20 IKED CCN(Cc1ccccn1)C(=O)c1sc(-c2ccc(OCC(C)C)c(C#N)c2)nc1C 486392524 GBEVJOQWCRBAPA-UHFFFAOYSA-N 434.565 5.082 30 20 IKED C=CCc1cc(CNC(=O)Nc2cc(NC(=O)CCC)ccc2Cl)cc(OC)c1OC 486891788 VAPOMPJEHXXCSU-UHFFFAOYSA-N 445.947 5.146 30 20 IKED C=CC[C@H](C(=O)Nc1cccc(NC(=O)COc2ccccc2OC)c1)c1ccccc1 488675358 NFOZKOFWDOERON-QFIPXVFZSA-N 430.504 5.011 30 20 IKED Cc1csc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1Br 489926555 QUYCIFMAIIBLJL-UHFFFAOYSA-N 441.350 5.716 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(C(F)F)c2)c1 507150584 YORBWIBODXCGMN-UHFFFAOYSA-N 437.471 5.479 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)cc1 508145250 GCMMHNWUVFLRPP-UHFFFAOYSA-N 428.319 5.541 30 20 IKED C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@@H](c2cccs2)C1 508496005 XMYAGZFJMVJJED-GOSISDBHSA-N 449.605 5.202 30 20 IKED C=CCn1c(SC[C@@H](OC)c2ccc(Cl)cc2)nnc1[C@H]1COc2ccccc2O1 509099655 OKVSZLHVFNHFJS-WOJBJXKFSA-N 443.956 5.110 30 20 IKED CN(Cc1cccc(Cl)c1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510234767 DKTBSEYZFBYRMV-UHFFFAOYSA-N 429.958 5.019 30 20 IKED CN(C)Cc1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)oc2ccccc12 510383576 DZQCGECYLMLJJB-UHFFFAOYSA-N 425.488 5.197 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1 511371203 BEUVAQHPLPLWRV-UHFFFAOYSA-N 441.506 5.792 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N(c1nccs1)C1CCCCC1 512516593 INZUNHUKDKZTFL-IBGZPJMESA-N 429.634 5.053 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 513147407 BDWFWLAFPKEOFA-QKKBWIMNSA-N 446.498 5.251 30 20 IKED CC(C)c1noc(-c2ccc(NC(=O)c3cccc(COc4ccccc4C#N)c3)cc2)n1 513243087 CMJVNLYHTCURGI-UHFFFAOYSA-N 438.487 5.563 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)nc2ccccc2c1=O 513956689 HGUSRJKVFLXYLV-GOSISDBHSA-N 447.560 5.006 30 20 IKED Cc1nc(SCC(=O)Nc2ccc(OC(C)C)cc2C(F)(F)F)c(C#N)c(C)c1C 517153559 GAHAUAXKVFMUDD-UHFFFAOYSA-N 437.487 5.415 30 20 IKED Cc1ccc(-c2noc(CSCC(=O)Nc3ccccc3S[C@H](C)CC#N)n2)cc1 518147829 VJQQZXFABZAGPQ-MRXNPFEDSA-N 438.578 5.311 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 518740370 XVGOAULTWYVXKC-LLVKDONJSA-N 432.389 6.371 30 20 IKED Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc12 520826471 WCRDRCNWHZSUHO-OAHLLOKOSA-N 432.574 5.900 30 20 IKED CCNC(=O)Nc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 521499206 BLCHWRSTELPVSO-UHFFFAOYSA-N 430.533 5.244 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCCN(c2ccccc2)C1 522429259 OZHAPYKDNUVTQS-HSZRJFAPSA-N 440.547 5.236 30 20 IKED O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 522696653 BWDAVJNOBJZPOF-OAHLLOKOSA-N 426.376 5.583 30 20 IKED O=C(NCc1cccnc1Oc1cccc(F)c1)Nc1cccc(C#Cc2ccccn2)c1 523585510 MGFWZWKMHCMQNV-UHFFFAOYSA-N 438.462 5.130 30 20 IKED C=CCNC(=O)Nc1ccc(NCc2cn(Cc3ccccc3)nc2-c2cccs2)cc1 524458556 MVRCUZNRGUQWDD-UHFFFAOYSA-N 443.576 5.580 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCc1ccc2ccccc2c1 524760629 HNTXBIZXRNNCBG-UHFFFAOYSA-N 435.483 5.067 30 20 IKED CCc1cccc2c(C3CCN(CC(=O)Nc4ccccc4SCC#N)CC3)c[nH]c12 532493931 RDIHFSDWAUUORO-UHFFFAOYSA-N 432.593 5.164 30 20 IKED C[C@@](C#N)(CCc1ccccc1)NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 532686168 DAMGCZAYQVCCHU-NRFANRHFSA-N 431.483 5.279 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCc3ccc(Cl)cc3C2)cc1 534896690 CSXUBIYNXUZNNT-UHFFFAOYSA-N 431.923 5.575 30 20 IKED CC1CCN(CCc2cccc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c2)CC1 536720267 BQHZEEWBMJUZBB-IZZNHLLZSA-N 430.596 5.265 30 20 IKED Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1CCC(C(F)(F)F)(C(F)(F)F)C1 537635141 STXLCQDLJFWOER-UHFFFAOYSA-N 427.339 5.084 30 20 IKED C[C@H](N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc(OC(F)F)cc1OC(F)F 537948157 ZSGNOAFHDTWXKO-ZUZCIYMTSA-N 441.343 5.292 30 20 IKED CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 538337249 KAKSEWGKVLNMTC-MZNJEOGPSA-N 434.536 5.496 30 20 IKED N#CC1(c2ccc(C(=O)NCc3ccc(Oc4ccccc4C(F)(F)F)nc3)cc2)CC1 540754788 OEVPPUYDWHOYGM-UHFFFAOYSA-N 437.421 5.378 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccccc1OC[C@H]1CCCCO1 540853366 SSGQTOFXEQAFST-HXUWFJFHSA-N 428.488 5.551 30 20 IKED Cc1ccnc(OC2CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)CC2)c1 541992884 NLHMQMJGRDAJJP-UHFFFAOYSA-N 429.545 5.097 30 20 IKED C[C@@H]1Sc2ccc(C(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc2NC1=O 541998581 BLPLAQCIPWVPFL-HOTGVXAUSA-N 427.529 5.149 30 20 IKED C[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)N(c1nccs1)C1CCCCC1 542003372 VPQYWRVIYJVONY-CYBMUJFWSA-N 439.528 5.880 30 20 IKED Cc1noc(C)c1C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 542154617 QIWRWZHSBHXWEN-LBPRGKRZSA-N 434.258 5.362 30 20 IKED CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 544482461 QMGDPMACKOAUIN-QZTJIDSGSA-N 449.366 5.856 30 20 IKED Cc1nn(C)c(Sc2ccccc2)c1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 545915837 NJWLCAAPSDINOT-UHFFFAOYSA-N 431.546 5.127 30 20 IKED Cc1cccc(C)c1[C@H](C)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 546201859 BQUBQJKTKRRXGA-AVRDEDQJSA-N 445.950 5.428 30 20 IKED COc1ccccc1O[C@@H]1CCCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 554443081 OTJAKIISOPPRJC-ZWKOTPCHSA-N 425.554 5.022 30 20 IKED CCOc1ccc([N+](=O)[O-])c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 555085459 JPMJNBKDLMJXPZ-INIZCTEOSA-N 427.869 5.260 30 20 IKED CCc1[nH]nc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1Br 556073305 HJMXJZIYYWCESV-OAHLLOKOSA-N 443.732 5.296 30 20 IKED CCC(C)(C)OCc1ccccc1NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 558512862 YMMSPLQVGLCBBE-UHFFFAOYSA-N 430.508 6.095 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)c1cc(C#N)ccc1Cl)C(F)(F)F 560598856 JEKHSMXKJGXPQC-IBGZPJMESA-N 432.833 5.048 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccncc1OCc1ccccc1 562162207 RNKKENYZLFJTEV-GOSISDBHSA-N 432.549 5.234 30 20 IKED C[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1ccc(OCc2cccnc2)cc1 567830908 VTCIAFPRJFOACX-FQEVSTJZSA-N 438.531 5.410 30 20 IKED CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1 568128764 OJMCLCMYOXGEPM-UHFFFAOYSA-N 437.952 5.077 30 20 IKED CN(C(=O)c1ccc(Cl)c(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)c1)c1ccccc1 568927891 KIOINGZZBFHXJM-UHFFFAOYSA-N 449.913 5.544 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(CC(=O)Nc2c(C)cccc2C)no1 569765878 CLEHODQGWQRIDC-UHFFFAOYSA-N 431.414 5.118 30 20 IKED CC1(C)CN(CC2CN(C(=O)C[C@H](CC#N)c3ccccc3)C2)c2cc(C3CC3)ccc21 580451540 HDZSZBNTDILVQQ-DEOSSOPVSA-N 427.592 5.208 30 20 IKED Cc1ccc(OCc2nc(CSc3nc(C)cc(C(F)(F)F)c3C#N)cs2)cc1 589531818 BQJJIPIQTPGZQC-UHFFFAOYSA-N 435.496 5.917 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 592974758 YSUXXNZGJKKMFE-CQSZACIVSA-N 427.913 6.011 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCc1c(C)nn(CC(C)C)c1C 603532713 MEVMQGCQPXQTJI-UHFFFAOYSA-N 446.570 5.641 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCCc1nc2ccccc2s1 603532996 KQCAXNNXWIKIOW-UHFFFAOYSA-N 443.547 6.172 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C 603872375 JCAQNLNLTWXGHO-UHFFFAOYSA-N 435.524 5.372 30 20 IKED C[C@@H](c1ccc(F)cc1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604166532 CRXKVJHGPTXMFZ-KSFYIVLOSA-N 449.913 5.293 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1O 604230889 PZYXLWHSAUIVAS-UHFFFAOYSA-N 437.883 5.382 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(Cc4ccc(F)cc4)CC3)cn2)c1 604561806 FENMDKOFQJNRNU-UHFFFAOYSA-N 430.483 5.371 30 20 IKED C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 606182351 URUBAGZRZIIUQL-LERXQTSPSA-N 435.330 5.473 30 20 IKED O=C(Nc1ccc(F)cc1OCC(F)(F)F)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F 607308533 GYZSHKPFQUJPKJ-OLZOCXBDSA-N 437.311 5.408 30 20 IKED CCc1c(C)sc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)c1C#N 609032674 YTNYMFLYHZPHIB-QGZVFWFLSA-N 436.364 5.041 30 20 IKED COc1ccc(C2(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CCC2)cc1 609105887 ZIZLNDAOSAFRPZ-UHFFFAOYSA-N 430.479 5.345 30 20 IKED Cn1ccnc1[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1cccc(F)c1 609208797 GILOVZPBIKIIKX-QHCPKHFHSA-N 441.466 5.134 30 20 IKED CCOc1ccc([C@@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccc2)cc1 609434627 DIGMDGKGWCPPNS-CLOONOSVSA-N 445.588 6.391 30 20 IKED COc1ccc(CCC2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)cc1 609438991 RHRFPKNBIVFPCV-LJQANCHMSA-N 437.609 5.966 30 20 IKED COc1cc(CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)ccc1OC1CCCC1 609504169 VUMKJDLTFUOLCM-UHFFFAOYSA-N 443.503 5.006 30 20 IKED C[C@H](c1ccc(C#N)cc1)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 609823621 XLCSBMYZZYPMBP-RLWLMLJZSA-N 430.596 5.808 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)nnc1-c1ccccc1 613809612 ZYYJBCQKQLAJLJ-INIZCTEOSA-N 426.973 5.096 30 20 IKED C=CCn1c(S[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)nnc1-c1ccncc1 613905157 AVZQQGFBBAXFOM-SFHVURJKSA-N 441.560 5.632 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](c2cccs2)C(C)(C)C)nnc1-c1ccc(F)cc1 613938515 ROCDXZHUPWXABM-IBGZPJMESA-N 444.601 5.327 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 618766191 IUUDXCVNERTKAF-SJORKVTESA-N 427.348 5.167 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccc(F)cc2)n1CC=C 619106388 QMZPTIGZUQYBHZ-INIZCTEOSA-N 442.585 5.027 30 20 IKED Cc1ccc(SCc2cccc(C(=O)[C@H](C#N)c3nnc4n3CCCCC4)c2)c(C)c1 620445773 REPOZWGDYPIRTG-NRFANRHFSA-N 430.577 5.404 30 20 IKED O=C(NC1(Cc2cccc(F)c2)CCOCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 622620152 GVUSBZATCZYCDN-UHFFFAOYSA-N 449.366 5.385 30 20 IKED O=C(N[C@H]1CC[C@@](O)(C(F)(F)F)C1)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 646694514 GWCVMBNARMIKNA-KSSFIOAISA-N 435.339 5.087 30 20 IKED C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 669803380 UUKHUXBQJDQZIW-SFHVURJKSA-N 438.535 5.148 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674552979 BLWFIAXOHOJVPX-IYBDPMFKSA-N 432.389 5.352 30 20 IKED O=C(N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 684800055 BSRKZYJFIQATDI-HAWYUUATSA-N 448.329 5.334 30 20 IKED N#Cc1ccc(NN=Cc2cn(-c3ccccc3)nc2-c2ccncc2)cc1C(F)(F)F 726425770 GTFNHODURGTZPP-UHFFFAOYSA-N 432.409 5.271 30 20 IKED CCCN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@H](C)c1ccccc1Br 726474603 KCXMUBPIHSLSLS-CYBMUJFWSA-N 436.806 6.144 30 20 IKED CCCCC[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccccc1 728145462 ARZNIUDBUROKPW-QHCPKHFHSA-N 442.519 5.122 30 20 IKED N#Cc1ccc(NC(=S)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)cc1Cl 730154908 IRUOJMGUYSZPLP-KRWDZBQOSA-N 444.746 5.428 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)ccc1OCc1ccccc1 730417757 QQBRKRMQDGLCDF-SFHVURJKSA-N 432.476 5.513 30 20 IKED N#CCn1c(C(=O)O[C@@H](c2ccc(Br)cc2)C(F)(F)F)cc2ccccc21 731147266 PBYVSKMAXZAUGV-KRWDZBQOSA-N 437.215 5.388 30 20 IKED Cn1c(CC(=NOCc2csc(-c3cccs3)n2)c2ccccc2)nc2ccccc21 731664227 DJAQKPDXNGHCTE-UHFFFAOYSA-N 444.585 5.922 30 20 IKED Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=NNc1nccnc1Cl 733078284 AGCNVYNBGIGHCT-UHFFFAOYSA-N 430.126 5.089 30 20 IKED CCC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccc(OC(F)F)cc1 733081229 RJMVMCHSJATMBC-UHFFFAOYSA-N 437.372 5.385 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)c1 733806552 JZMMOEBNOBLENQ-ILBGXUMGSA-N 449.501 5.429 30 20 IKED C#CCN(C(=S)N[C@H](CC)c1cccs1)[C@@H]1CCOc2ccc(Br)cc21 734379560 HRUMJXGDPAWSSU-IAGOWNOFSA-N 449.439 5.295 30 20 IKED Cc1ccc(COc2c(C)cc(CN(C)C(=O)Nc3cccc(OCC#N)c3)cc2C)cc1 734646141 MZCXJPVSHYBEAI-UHFFFAOYSA-N 443.547 5.757 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)ccc1OCC(C)C 735232297 LJSYZWHFVZFWFX-VZUCSPMQSA-N 438.492 5.013 30 20 IKED CCOc1ccc(-c2nc(C(=O)OCc3cc(Cl)ccc3OCC#N)cs2)cc1 735342470 ABMJSYGLTSMNRC-UHFFFAOYSA-N 428.897 5.122 30 20 IKED C[C@H]1COCCN1c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 737726637 YZGGZVXYFORCSD-SFHVURJKSA-N 429.545 5.187 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)cc1 740435761 UGHVDWZTQDWAAS-GOTSBHOMSA-N 444.510 5.716 30 20 IKED COc1ccccc1-c1ccc([C@@H]2NC(=S)NC(c3ccc(F)cc3)=C2C(C)=O)cc1 741646314 ADYFNFGDSYXKGD-QHCPKHFHSA-N 432.520 5.020 30 20 IKED CS(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(-c3ccc(C(F)(F)F)cc3)o2)cc1F 741847058 LJAGTEJJCIVQSV-VQHVLOKHSA-N 438.398 5.404 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1NC(=O)OC(C)(C)C 742653566 MFBULJUQQKYUSA-INIZCTEOSA-N 425.554 5.989 30 20 IKED CC(C)c1ccc2c(Cl)c(C(=O)OCc3nnc(-c4cccc(C#N)c4)o3)sc2c1 745006189 UIRWSLBURGUZAI-UHFFFAOYSA-N 437.908 5.957 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(CC)[C@H](Cc2ccc(F)cc2)C(C)C)c1 745821971 WDSSATDZCZJWML-ISKFKSNPSA-N 425.548 5.305 30 20 IKED CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2ccc(C#N)s2)NC(=O)N1Cc1cccs1 749014242 KRFINBIRGLTEHB-NRFANRHFSA-N 448.573 5.169 30 20 IKED Cc1cc(CCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)ccc1Br 751829623 BXICBMOCPDIHPB-CQSZACIVSA-N 432.268 5.311 30 20 IKED Cc1ccccc1NC(=O)Cc1nc(CON=C(c2ccccc2)C(F)(F)F)cs1 751956279 QJMQJPUHPLEGHB-UHFFFAOYSA-N 433.455 5.116 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(COC(C)(C)C)cc2)ccc1OC 752716597 QDJHIEZYDKSJNO-HXUWFJFHSA-N 425.529 5.013 30 20 IKED N#Cc1ccc(-c2ccc(OCc3nnc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)cc2)cc1 753837261 MXCVOINIXSQGKM-UHFFFAOYSA-N 432.823 5.416 30 20 IKED CC[C@H](C#N)Oc1cccc(CNCc2nc(-c3cc(Cl)ccc3Cl)cs2)c1 754061204 SYYFRKFYFIDTSF-MRXNPFEDSA-N 432.376 6.088 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1 760971831 XBBCREPZLKFPRB-QHCPKHFHSA-N 440.927 5.843 30 20 IKED Cc1nnc(-c2ccc(NC(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)cc2)o1 761726344 PFEASCDSGCTDBU-UHFFFAOYSA-N 430.851 5.615 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)O[C@H]2CCO[C@H](C3CCOCC3)C2)cc1Cl 763126721 VACKVTGCCNODBZ-CVDCTZTESA-N 441.911 5.135 30 20 IKED N#CCCn1cc(C(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)c2ccccc21 766246068 SYTXNHMEJUXWIF-UHFFFAOYSA-N 449.466 5.403 30 20 IKED O=C(/C=C/c1nc2ccc(Br)cc2s1)c1ccc(N2CCCC2=O)cc1 773125906 PUUISPXMNJTBJJ-MDZDMXLPSA-N 427.323 5.082 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(COc3ccccc3)cc2)ccc1OC 774139788 FWXGPGYBYRYVJN-QFIPXVFZSA-N 445.519 5.277 30 20 IKED C[C@H](CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)C(=O)c1ccc(Cl)cc1 777311951 GNBGWVIVRUCPFB-DOMZBBRYSA-N 444.890 5.827 30 20 IKED CC(=O)Nc1ccc(C(=O)/C=C\c2csc(-c3cccc(Br)c3)n2)cc1 781550621 DGHCBMAJGSLCDE-KTKRTIGZSA-N 427.323 5.427 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(CC2CC2)C(=O)N[C@@H]1c1scnc1C1CC1 783921511 BKRZFXNGAHNUHS-IBGZPJMESA-N 427.957 5.151 30 20 IKED N#CCCn1cc(/C=C/C(=O)c2ccc(OCc3ccccc3)cc2)c(-c2ccncc2)n1 788348449 BRYSLEHEZQBDOT-FMIVXFBMSA-N 434.499 5.334 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H]3CCN(c4c(C)cc(C)cc4C)C3=O)o2)cc1 788813363 IWNGBDMVEFDKID-FQEVSTJZSA-N 435.549 5.124 30 20 IKED N#C[C@H](C(=O)[C@H]1CCC(=O)c2cccn21)c1nc(-c2ccc(Cl)cc2Cl)cs1 789406790 YGLSHYAHGCBJAF-CXAGYDPISA-N 430.316 5.312 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1 789889444 MSIPNXZGDLNNMJ-SANMLTNESA-N 429.560 6.180 30 20 IKED CC(=O)N1CCc2sc(-c3csc(=Nc4ccsc4)n3CCCCC#N)cc2C1 790660782 BGZXGYJKUKZRQZ-UHFFFAOYSA-N 442.635 5.170 30 20 IKED CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2ccc(Br)cc2C(F)(F)F)c1 790671021 FODJCDJYQAQGBV-CJNGLKHVSA-N 441.291 6.000 30 20 IKED CC(C)(C)OC(=O)N[C@H](CCC(=O)[C@@H](C#N)c1nccc2ccccc12)c1ccccc1 792095701 XHDIBVVQBVNOQJ-FGZHOGPDSA-N 429.520 5.457 30 20 IKED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 798013982 SPLMQIUWHCSGJC-GUYCJALGSA-N 443.466 5.155 30 20 IKED CC(=O)c1oc2cc(C)ccc2c1CC(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 805855146 DWKXYOZWMJVIHC-SFHVURJKSA-N 443.286 5.141 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1C 813683874 GCZSWUPPTVMDPT-UHFFFAOYSA-N 443.334 5.023 30 20 IKED Cc1noc(C)c1COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1 915102479 URPQKRWQGLTSNM-NRFANRHFSA-N 443.528 5.413 30 20 IKED C=CCOc1ccccc1CN(C(=S)Nc1ccccc1C#N)c1ccc2c(c1)OCO2 915996452 FITPECCHOIGYKT-UHFFFAOYSA-N 443.528 5.255 30 20 IKED COc1ccc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1OCC(C)C 916284226 RRWPWJSZMWDKOJ-UHFFFAOYSA-N 447.560 5.359 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)/C=C/c3nc4ccccc4s3)c2)cc1 916452009 PLJVCQCSAOWMPO-OUKQBFOZSA-N 425.513 5.593 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1 916882301 ALNLZNBFOOJABX-INIZCTEOSA-N 430.316 5.387 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12 916916213 PZKOJMMCCBOETK-LJQANCHMSA-N 429.476 5.372 30 20 IKED C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917046476 DHBAGXGEHNLDCF-KOLCDFICSA-N 425.724 5.900 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C3CCN(C(C)C)CC3)cc2)CCC1 1786665573 GGSUSNHVGLSHLN-XMMPIXPASA-N 437.628 5.009 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc[nH]c4nccc3-4)cc2)CCC1 1788458549 KOVOWOOYKGWVHP-HXUWFJFHSA-N 428.536 5.031 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4cnccc4c3)cc2)CCC1 1789013984 QCUYYQAOQALGCU-VWLOTQADSA-N 439.559 5.751 30 20 IKED Cc1cccc(C(=O)NC2(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC2)c1Cl 1789579409 KUGPKOSZIBKUDG-JFLMPSFJSA-N 449.938 5.108 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3csc(C(F)(F)F)n3)CCC2)cc1 1791730630 NBGWACUEQNTQGD-UHFFFAOYSA-N 449.498 5.103 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCc2cccc(Cl)c21 1801428623 WHXVXWLNEOBJRG-IYWMVGAKSA-N 429.004 5.000 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccoc3s2)n[nH]1 1817825374 GRUVKCQTBQJPRN-SJLPKXTDSA-N 438.553 5.292 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cccnc3s2)n[nH]1 1818571046 CLJPQWMTTJGLIX-LJQANCHMSA-N 449.580 5.094 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2csc(-c3ccccc3)n2)[nH]n1 1821920864 PCQVRSVFLMVCLO-JXFKEZNVSA-N 449.580 5.051 30 20 IKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)c(C)c2Cl)n[nH]1 1823142067 YUAPUNCQQASVCT-SFHVURJKSA-N 447.366 5.134 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(C)(C)C)oc2C)CC1 1831371886 ODMNGAWFXMKTGC-AVRDEDQJSA-N 428.617 5.331 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@]3(C)CC=CCC3)CC2)c1 1832410146 BCWVHCQIBZNHII-ZNFSXRAMSA-N 447.623 5.293 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(-c4ccccc4)cc2)C3)c1 1846833128 ROTSDVKUAOVLCQ-NRFANRHFSA-N 449.554 5.111 30 20 IKED N#Cc1ccccc1/C=C/C(=O)OCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 11184204 SVIMDXZQBPJYMP-AATRIKPKSA-N 444.101 5.367 30 20 IKED N#Cc1c(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)sc2c1CCCCC2 11347273 SKZUYUASWFHNRY-UHFFFAOYSA-N 449.561 5.151 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(CC)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 14872216 QFSDORGZHYZRFA-UHFFFAOYSA-O 445.652 6.447 30 20 IKED C=CCN(C(=O)c1sc(Cc2ccc(F)cc2)nc1C)c1nc2c(s1)CCCC2 33155466 DHUVITVMYFLEGR-UHFFFAOYSA-N 427.570 5.350 30 20 IKED Cc1nc(CSc2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)cs1 78720064 KIWOIHGKJVSTLL-HNNXBMFYSA-N 439.631 6.390 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1)c1ccccc1 97543643 LMXFTWZVCDEWKF-UHFFFAOYSA-N 447.922 5.798 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)COc3ccc(Cl)c4cccnc34)c2)c1 108123853 IWDWOMCWTGWMQF-UHFFFAOYSA-N 443.890 5.356 30 20 IKED CCc1ccc(-c2csc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)n2)cc1 110898629 PCOOIHZACQQXTQ-UHFFFAOYSA-N 432.549 5.038 30 20 IKED C=CCn1c(SCc2nnc(-c3ccccc3Cl)o2)nnc1-c1ccccc1F 195569165 ZKBCRNJHGKQLGH-UHFFFAOYSA-N 427.892 5.266 30 20 IKED COc1ccc([C@H](Cc2ccccc2C)NCc2ccc(O[C@H](C)C#N)cc2)cc1OC 237348095 VEMPUPHNFUGEIH-NLFFAJNJSA-N 430.548 5.377 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2C)cc1 303180364 YEQBJIZRSAQTNG-QHCPKHFHSA-N 427.504 6.037 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3C[C@H]3c3c(F)cccc3Cl)s2)cc1 303849883 RNPAGXRDHKKKOS-KGLIPLIRSA-N 444.944 5.237 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 409831441 VYYKULSEUMQITL-UHFFFAOYSA-N 440.406 5.608 30 20 IKED Cn1c(C(F)F)nc2cc(C(=O)Nc3ccc(OC(F)F)c(C(F)(F)F)c3)ccc21 410098781 ZOHJAWKFPSQSRA-UHFFFAOYSA-N 435.299 5.383 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N(Cc3ccc(F)cc3)C3CCOCC3)c2)cc1 427740482 KHCJIGYMSHCBQG-UHFFFAOYSA-N 444.506 5.098 30 20 IKED Cc1nc([C@@H]2CCCOC2)sc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 428189329 YAICFGGZXCRKPP-HXUWFJFHSA-N 447.560 5.243 30 20 IKED CC[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 429434289 ZOIZCUOZZKKYOD-QHCPKHFHSA-N 447.510 5.081 30 20 IKED COc1ccc(-c2ncc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)s2)cc1OC 436019978 DIWLQIFHUJKBMP-AWEZNQCLSA-N 448.331 5.129 30 20 IKED CC(C)(C)CN(CCC#N)C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O 436566744 MIIWFKZNENRUMY-UHFFFAOYSA-N 448.350 5.353 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)cc1F 438650362 PMVZSJHGCDULSC-NLFFAJNJSA-N 445.494 5.779 30 20 IKED COc1ccc(NC(=O)c2ccc(C#N)cc2C)cc1NC(=O)c1ccc(Cl)cc1F 439118688 MSOIPZYFOVACKS-UHFFFAOYSA-N 437.858 5.172 30 20 IKED CCCc1c(NC(=O)N2CCc3c(F)cc(F)cc3[C@@H]2C)cnn1-c1cccc(C#N)c1 439674127 PEHUFPMUNYSBLL-HNNXBMFYSA-N 435.478 5.126 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)Nc3ccc(CC(F)(F)F)cc3)cc2)cc1 440564732 VSUAPFQUCHGBLT-UHFFFAOYSA-N 439.393 5.033 30 20 IKED CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2cccc(C)c2C#N)c2cccs2)cc1 441553925 ITHACNFKYRCZKD-QMHKHESXSA-N 431.561 5.286 30 20 IKED CCN([C@@H](c1ccc(Cl)cc1)c1ccccn1)S(=O)(=O)c1cccc(Cl)c1C#N 443068741 HZDZZFYCYWNOHA-NRFANRHFSA-N 446.359 5.060 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 443919957 JKPJPVOMBNKBII-CVEARBPZSA-N 438.528 5.773 30 20 IKED N#CCCCn1cc(C(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)c2ccccc21 444033260 MBKFRNVJILNJRA-UHFFFAOYSA-N 428.467 5.201 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3sc(Br)cc3[N+](=O)[O-])cc2)c1 445190010 KABJZCLDBMCSSI-UHFFFAOYSA-N 444.266 5.335 30 20 IKED N#Cc1cc(F)c(C(=O)Nc2sc3c(c2-c2nc4ccccc4[nH]2)CCCC3)c(F)c1 445672701 BJCHHQBGTWSEHY-UHFFFAOYSA-N 434.471 5.572 30 20 IKED N#C[C@H](NC(=O)CCC(=O)c1csc2ccccc12)c1ccc(Br)cc1 445687996 BHOSAQYFWNMNDF-KRWDZBQOSA-N 427.323 5.008 30 20 IKED CSc1cccc([C@@H](NC(=O)c2c(F)cc(C#N)cc2F)c2ccc(F)c(F)c2)c1 446045406 HVAXCGYKSDVJPB-OAQYLSRUSA-N 430.426 5.356 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(CCCO)CC1 460371227 AKDJZAZBERDNOV-HXUWFJFHSA-N 434.584 5.136 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1ccc(Cl)cc1C 461755820 MVZGKUOZRVNVDR-INIZCTEOSA-N 442.972 5.124 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)cc1F 462672933 DVHVHOBNRAVNKA-GBXCKJPGSA-N 431.467 5.531 30 20 IKED O=C(C[C@H](c1ccccc1)C(F)(F)F)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 464728088 MRQHJNAEYFVXMM-OAHLLOKOSA-N 445.338 5.705 30 20 IKED Cc1cc2c(Br)ccc(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)c2o1 467998848 STTMQWSCLSKMBW-UHFFFAOYSA-N 439.309 5.059 30 20 IKED C=CCN(CCc1ccccc1)C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 469041702 UUYQKWJKAOCGTL-UHFFFAOYSA-N 444.362 5.623 30 20 IKED C[C@H](NC(=O)Nc1ccc(CC#N)cc1)c1nc(-c2ccc(Br)cc2)cs1 478925038 SKTRPDWNCULBHD-ZDUSSCGKSA-N 441.354 5.521 30 20 IKED C[C@@H](N[C@@H](c1ccccc1F)c1nccn1C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 480332672 JCOFMFXTSZYJFG-XIKOKIGWSA-N 445.382 6.037 30 20 IKED O=C(N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)N1CC=C(C(F)(F)F)CC1 482322355 WQWHSWYUKSIXJV-GFCCVEGCSA-N 436.274 5.093 30 20 IKED Cn1ccc(CNC(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c1 482341263 DMSSDCORFKAPGM-CYBMUJFWSA-N 447.301 5.166 30 20 IKED Cc1ccccc1-c1cc(C(=O)[C@@H](C#N)c2nccc3ccccc23)c2cnn(C(C)C)c2n1 483217875 YDOCEUMCEYOFBT-QHCPKHFHSA-N 445.526 6.026 30 20 IKED COc1ccc2c(c1)c(C(=O)[C@@H](C#N)c1cnc3ccccc3n1)c(C)n2Cc1ccccc1 483244484 ZLCXEMDLPAKZKI-QFIPXVFZSA-N 446.510 5.440 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@H](CCCC#N)c1ccccc1 487177461 PYNXVZDYJJQMRG-HXUWFJFHSA-N 435.524 5.613 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCCC(=O)Nc1ccccc1C(F)(F)F 488666906 PKJDDZVLDAHCEE-UHFFFAOYSA-N 446.498 5.195 30 20 IKED Cc1cc(C)c(-c2nnc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)o2)c(C)c1 488811184 BTUFQNHPOSXIJA-AWEZNQCLSA-N 438.578 5.203 30 20 IKED C=CCN(C(=O)Cc1cn(CC)c2ccccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 498300329 WFAVWRMFVGQIBE-UHFFFAOYSA-N 446.532 5.455 30 20 IKED C[C@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccc(C(F)(F)F)cc1 502401375 UXMFSOLJYVCARA-OAHLLOKOSA-N 449.448 5.073 30 20 IKED CCN(C(=O)NCC#Cc1ccccc1)[C@H]1CCSc2ccc(Br)cc21 508110031 BUJADCFTJGVFET-IBGZPJMESA-N 429.383 5.069 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(c2cccc(OC)c2)CC1 508486371 BVBIUAQYHGXJLY-DQEYMECFSA-N 444.579 5.102 30 20 IKED Cc1ccc(I)c(C(=O)Nc2sc3c(c2C#N)CCCCC3)c1 508875650 WNPHTLBTUIKIKR-UHFFFAOYSA-N 436.318 5.054 30 20 IKED Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 511548305 UNJZWAVXIFETDW-IBGZPJMESA-N 435.578 5.380 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2cccc(OCc3cccnc3)c2)c1 513494854 YKVCEEDXIAWMJQ-UHFFFAOYSA-N 435.483 5.364 30 20 IKED COCCCOc1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 513865130 BSEPZDPDGZPIFN-UHFFFAOYSA-N 447.510 5.347 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2ccc(Br)cc2[nH]1 515825475 KJBPNJORTVAKNU-UHFFFAOYSA-N 447.292 5.550 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Sc4ccccn4)cc3)n2)cc1 517277997 RVXQYJDJSPLMGT-FQEVSTJZSA-N 438.537 5.718 30 20 IKED COCCOc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1Cl 517345188 BGIDEHYJKVXOMJ-UHFFFAOYSA-N 440.858 5.421 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)cc1 518469731 UEVBDUIWFPCWMP-UHFFFAOYSA-N 449.495 5.670 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 518907150 NXOOSKFTDUKHED-INIZCTEOSA-N 440.528 5.669 30 20 IKED C=C(C)CN1CCC(NC(=O)CC2(Cc3nc4ccccc4s3)CCCCC2)CC1 519270457 OJTZMLSVBQUXCD-UHFFFAOYSA-N 425.642 5.336 30 20 IKED C=C(C)CN1CCC(NC(=O)Nc2ccc(Oc3ccc(F)cc3)c3ccncc23)CC1 519287083 TWFFATHBSOFVLC-UHFFFAOYSA-N 434.515 5.328 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 521810516 ROTLAIYXFHJVTP-KRWDZBQOSA-N 428.989 5.084 30 20 IKED Cc1ccc(C[C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)c2ccccn2)cc1 524537209 IMWBKIRNDWZSFY-XMMPIXPASA-N 437.499 5.148 30 20 IKED COc1cccc(N2CC[C@H](NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)C2)c1 524546274 JTWCGWMYNJDGIV-FQEVSTJZSA-N 442.519 5.068 30 20 IKED C=CCC[C@@H](NC(=O)N[C@@H](c1ccccc1)c1nccn1C)c1ccc(C(F)(F)F)cc1 533528738 JULBMGYZFMBSJW-RTWAWAEBSA-N 442.485 5.535 30 20 IKED CN(C(=O)c1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 536050057 RDTBPGWOLPLORD-OAQYLSRUSA-N 438.314 5.265 30 20 IKED Cc1cc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)ccc1NC(=O)c1cccs1 536185240 MEBDZQPFKWVGHV-GOSISDBHSA-N 443.450 5.322 30 20 IKED Cc1cc(NCC(=O)Nc2ccccc2SCC#N)nn1-c1ccc(Cl)cc1Cl 538538282 XAGHZGNCDDWWRQ-UHFFFAOYSA-N 446.363 5.154 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)o1 550493865 BEOGPUVDXIKVQX-UHFFFAOYSA-N 426.394 5.168 30 20 IKED C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1nc2ccccc2n1C(F)F 590478008 BYHCXIMXIRCVBG-OAHLLOKOSA-N 448.498 5.945 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)cc1 590537467 JYDYCJDDCIXWDP-UHFFFAOYSA-N 429.480 5.027 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)CCC(=O)CCC(=O)c3cccs3)c2)cc1 591206673 MPRQGTZVXDGQAO-UHFFFAOYSA-N 432.501 5.363 30 20 IKED O=C(NCc1cccc(COCc2ccco2)c1)Nc1cccc(C#Cc2ccccn2)c1 601187217 FCBYCDMXXFJFBH-UHFFFAOYSA-N 437.499 5.113 30 20 IKED Cc1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cnn1-c1ccc(Cl)cc1 603640070 WXPOOWCHVPEQFU-UHFFFAOYSA-N 442.906 5.537 30 20 IKED COc1ccc(S[C@@H](C)C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1 603958108 ABUDPHAOXUHVBE-SFHVURJKSA-N 434.536 5.728 30 20 IKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1sc2c(c1C#N)CCCCCC2 603996124 APOLSBFLQJFWPB-UHFFFAOYSA-N 429.611 5.886 30 20 IKED CCN(C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)[C@@H](C)c1ccc(C#N)cc1 604343339 NZPUXBYJBIUAQQ-MSOLQXFVSA-N 443.507 5.258 30 20 IKED N#Cc1cccc(COc2cccc(CN[C@H]3CCc4nc(-c5ccccc5)ncc4C3)c2)c1 604557653 XOVYTXLVUKYLHL-SANMLTNESA-N 446.554 5.241 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 609061370 BBWAXVFHNUCZJZ-QGZVFWFLSA-N 447.516 5.473 30 20 IKED COc1ccc2c(c1)CCCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C2 609137931 YNGLJMHBKPIXSP-UHFFFAOYSA-N 441.531 5.321 30 20 IKED Cc1ccnc2sc(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)c(C)c12 609172653 AEDQRJRPOKUDAR-OAQYLSRUSA-N 427.529 5.487 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1nccn1CC(F)(F)F 609207306 ZUYKSGPEQNNUQO-UHFFFAOYSA-N 443.429 5.082 30 20 IKED N#Cc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)c(F)c1 609602179 CDNPIPZBYYMQKP-UHFFFAOYSA-N 448.351 5.364 30 20 IKED C[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccc2nc(O)[nH]c2c1 609730293 YSYOCNLUMFCAJO-ZDUSSCGKSA-N 432.867 5.077 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 609929114 VHPKBPODKVDOBC-JOCHJYFZSA-N 443.522 5.681 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(Cl)c(C(=O)NC4CC4)c3)c2)cc1 609987543 KOZDHAIPBPTNLB-UHFFFAOYSA-N 430.895 5.100 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)N[C@H](Cc3ccccc3)c3ccccc3F)CC2)c1 610146594 IHNJBOINBORFCI-AREMUKBSSA-N 443.522 5.234 30 20 IKED C[S@](=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)cc1 610296192 XSJVGIKRRAYSNE-HKBQPEDESA-N 444.434 5.359 30 20 IKED CCN(C[C@@H]1CCOC1)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 610331742 VYJUILQEBJUUID-HNNXBMFYSA-N 433.430 5.260 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC(OCc4ccc(F)cc4)CC3)c2)cc1 611262296 RYPBVCGDLHDLIM-UHFFFAOYSA-N 430.479 5.311 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3NC(=O)c3cccs3)n2)cc1 613318015 FJKMKKRBVZTVJC-SFHVURJKSA-N 443.553 5.922 30 20 IKED O=C(N[C@@H]1CCSc2ccc(F)cc21)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618548155 PMXVZRBQRGUWHI-OUJBWJOFSA-N 430.389 5.135 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(SCc3cccnc3)cc2)c1C#N 619694643 MNNNZJDCXKRTSD-UHFFFAOYSA-N 432.574 5.492 30 20 IKED CC(C)(c1ccc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1)C(F)(F)F 683383540 DEDKRHVMHLKQQN-CHWSQXEVSA-N 449.357 6.166 30 20 IKED O=C(Nc1cc(-c2ccccc2F)on1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 683968091 GVOLFYHYLAGRJA-UWVGGRQHSA-N 425.304 5.075 30 20 IKED C[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 728472559 DSHHJTZIOLEOQB-GHTZIAJQSA-N 449.551 5.116 30 20 IKED C[C@@H](OC(=O)CSc1ccc(C#N)cc1)C(=O)Nc1ccccc1Oc1ccccc1 728677162 LGSGCQWUFNOBSB-QGZVFWFLSA-N 432.501 5.013 30 20 IKED COc1ccc(-c2nc(S[C@@H](C)c3ccc(C(F)(F)F)cc3)nc(O)c2C#N)cc1 730465078 WIRSFVYAHYWUNW-LBPRGKRZSA-N 431.439 5.602 30 20 IKED CC(C)n1c(SCc2ccc(OCC#N)cc2)nnc1-c1ccc(Cl)cc1Cl 731155988 DOBZQPZKBQBNMZ-UHFFFAOYSA-N 433.364 6.027 30 20 IKED COc1cc(C)c(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)cc1OC 731318505 JCHMWLIUZWOOSJ-QXMHVHEDSA-N 435.907 5.814 30 20 IKED N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 731479756 ROUSTCKJMWGBRC-QFIPXVFZSA-N 430.310 5.502 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1sccc1Br 733080320 JUUKGMAWCNNYFX-UHFFFAOYSA-N 442.264 5.218 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)NC2(c3ccc(Br)cc3)CCC2)c1 733846796 ILTIHPGGLWAMDN-IBGZPJMESA-N 442.357 5.009 30 20 IKED C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 734084163 XLDHYZMQFZLJJF-GCJKJVERSA-N 439.540 5.440 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)OCc3nnc(-c4ccccc4Cl)o3)c2)c1 734320877 DLKOQJPBTCUKRW-UHFFFAOYSA-N 445.862 5.198 30 20 IKED C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 739155747 URSZWWZNWNCXLN-XHDPSFHLSA-N 426.797 5.024 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=S)N[C@@H]2CCOc3ccccc32)cc1 741495993 STFMPDKMLUGWJJ-HSZRJFAPSA-N 431.536 5.098 30 20 IKED O=C(O)COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1Br 742429110 HWCZYCNNJUKZRC-ORCRQEGFSA-N 430.081 5.115 30 20 IKED C#CCOc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CCOc3ccc(OC)cc32)c1 743147376 OSIQQXGSCIXTFN-VWLOTQADSA-N 442.515 5.265 30 20 IKED N#Cc1ccc([C@H](OC(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)C(N)=O)cc1 745116093 AOQXFPZTBNMKAN-FQEVSTJZSA-N 441.270 5.041 30 20 IKED C[C@H](NC(=O)CC1CCCCC1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 750395469 ORTJTARNRRBZCX-KBXCAEBGSA-N 429.973 5.115 30 20 IKED N#C[C@@H](COC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Cc1ccccc1 750782075 GKFUHJPMPJMVBJ-GBXCKJPGSA-N 446.934 5.127 30 20 IKED COc1ccc(-c2cc(NC(=O)Cc3cccc(OCC#N)c3)ccc2OC(F)F)cc1 760271498 TYYBVGJXKKFWCD-UHFFFAOYSA-N 438.430 5.047 30 20 IKED N#Cc1ccc(-c2nnc(CNc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)o2)cc1 760454732 HSLWIWBWKXYYHP-UHFFFAOYSA-N 441.878 5.324 30 20 IKED C#CCOc1ccccc1-c1noc([C@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)n1 761990297 SJBBMAGLNHWFPA-UTKZUKDTSA-N 433.508 5.118 30 20 IKED N#Cc1cc(NC(=O)c2c(-n3cccc3)sc3c2CCSC3)c(Cl)c([N+](=O)[O-])c1 764303578 NBPSHEMJYHGLAP-UHFFFAOYSA-N 444.925 5.014 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1=S 767498034 CUOUAZIHASTONG-GOSISDBHSA-N 445.514 5.128 30 20 IKED C[C@@H](OC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1nc(-c2ccccc2)cs1 767984454 PWINDEMEDSSLMR-GOSISDBHSA-N 433.533 5.141 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F 769946049 NOOMAOCIDLTKER-LSCADSNKSA-N 448.872 5.758 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(CCCO)Cc2cccc(Cl)c2)cc1 771462691 KTWKDEBHMSWSCI-DEOSSOPVSA-N 433.939 5.412 30 20 IKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cc2c(cc1F)NC(=O)CC2 778000137 TWFRTSBRLVMMPI-IWQZZHSRSA-N 446.322 5.400 30 20 IKED CCN(Cc1ccccc1NC(=O)N[C@H]1CCc2cc(C#N)ccc21)C(=O)OC(C)(C)C 785820615 PVNFASAQNKKTJS-QFIPXVFZSA-N 434.540 5.124 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)N[C@H](CC)c3ccccc3)s2)cc1 787041321 YIAYVMRJDMLGRF-LEWJYISDSA-N 447.560 5.107 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/C(=O)c3cc([N+](=O)[O-])ccc3C2(C)C)cs1 788362138 JWCIGECTZHADLF-NHDPSOOVSA-N 447.516 5.602 30 20 IKED O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)N(CCC(F)(F)F)CC(F)(F)F 791118652 ZNZSIQRRQAILFT-XFFZJAGNSA-N 427.694 5.629 30 20 IKED COCCCC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 791751395 PCFZXMCHPNUCTQ-FTJBHMTQSA-N 427.548 6.022 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)ccc21 792983198 OJCYIAABNYIZRP-UHFFFAOYSA-N 431.536 5.051 30 20 IKED C[C@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 796040362 XHHAQOWORCOZIX-NSHDSACASA-N 439.726 5.632 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(C(=O)Nc3ccccc3)c2)cc1 796792619 JZPAIIDKZDDURZ-HOYKHHGWSA-N 439.515 5.414 30 20 IKED C[C@H](C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1ccc(C(F)(F)F)cc1 798785703 AKIVDPDQCMWRNZ-HNNXBMFYSA-N 428.410 5.103 30 20 IKED CC(C)(C)c1ccc(Cl)cc1NC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 801826206 MNJXUHQMRRPBQN-UHFFFAOYSA-N 426.948 5.114 30 20 IKED C[C@H](OC(=O)C(C)(C)c1cc(F)cc(C#N)c1)C(=O)Nc1ccccc1-c1ccccc1 803924681 MGRZQSGTOAHJOM-KRWDZBQOSA-N 430.479 5.212 30 20 IKED C[C@@H](OC(=O)c1cc(F)c(C(F)(F)F)cc1F)C(=O)Nc1ccccc1C(F)(F)F 805594758 ZGTWFTIRVVWSSO-MRVPVSSYSA-N 441.274 5.186 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc(Cl)ncc3Br)cc2)cc1 810224238 SSAJDFAVHLEHJF-UHFFFAOYSA-N 428.673 5.414 30 20 IKED Cc1ccc([C@@](O)(Cc2noc(-c3sc4ccc(C#N)cc4c3C)n2)C(F)(F)F)o1 813892553 XBTCHLWMUSYGFH-IBGZPJMESA-N 433.411 5.025 30 20 IKED N#Cc1ccc(Br)c(CNc2cc(Br)ccc2N2CCCC2)c1 864019721 NXUMGLHCYRZBPG-UHFFFAOYSA-N 435.163 5.296 30 20 IKED CCOc1c(Cl)cc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC 916681652 VQMKOUVVKIDRIY-OAQYLSRUSA-N 449.938 5.724 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(-c2ccccc2Cl)o1 916888035 SXNOFCGBTTXVCK-HNNXBMFYSA-N 446.862 5.876 30 20 IKED N#C[C@H](C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)Nc1ccccc1 916898822 HQQXLDHUAZADRM-FYYLOGMGSA-N 434.948 5.510 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CSc1ccc2ccccc2c1 916901824 AVSYBAIXPLJLSF-SFHVURJKSA-N 438.936 5.250 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCCCN3C(=O)c3cccs3)n2)cc1 916974612 NUFWOOSIMDMZHP-PKOBYXMFSA-N 435.574 5.051 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 917119391 CAKSTYMHFDIUSB-DEOSSOPVSA-N 440.503 5.493 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806094 UONRKGRCRFLSQS-NYHFZMIOSA-N 437.471 5.240 30 20 IKED Cc1nscc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1787193396 JUCRQXJYHDNWPO-MRXNPFEDSA-N 444.560 5.140 30 20 IKED Cc1ccccc1-c1ncccc1C(=O)Nc1ccc(C2(NC(=O)[C@H](C)S)CCC2)cc1 1788360914 OBCQZIWCUIHFFL-SFHVURJKSA-N 445.588 5.123 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(F)nc3)CCC2)cc1 1789453081 JJIYJHLSTKAWBX-QFIPXVFZSA-N 435.543 5.056 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)nc4ccc(O)cc34)CCC2)cc1 1791250248 LQLNLASACCGYCP-KRWDZBQOSA-N 443.547 5.209 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)CC(=C)C)[C@@H]1c1cccnc1 1802495258 AIEZXKIBERJZEB-FCHUYYIVSA-N 425.617 5.072 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3cc(C)[nH]c23)[nH]n1 1814443422 XKQRJHIGRVJHKP-OAQYLSRUSA-N 447.583 5.498 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)cc2F)CC1 1823753195 GNAAIWWDEYVQRE-QHCPKHFHSA-N 446.582 5.119 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccsc2)CC1 1827103529 UKRPMCOGENZQIJ-JOCHJYFZSA-N 430.658 5.293 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1828294652 GDUHPTSPXYULEM-UZUQRXQVSA-N 442.003 5.267 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)c(F)c2C)CC1 1828829302 GSABBZFCYVBAJR-NZQKXSOJSA-N 444.566 5.275 30 20 IKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)o2)CC1)c1ccccc1 1829031250 WIHPDTJNMKWREZ-LOSJGSFVSA-N 446.591 5.019 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cnc2Cl)CC1 1829069018 FFZRHLQMMBZOBN-HXUWFJFHSA-N 449.998 5.100 30 20 IKED C=CCn1c(SC[C@@H](O)c2ccccc2)nc2scc(-c3cccs3)c2c1=O 9964603 DJGOKJXHIBWMQH-MRXNPFEDSA-N 426.588 5.198 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)Nc1ccc(Cl)cc1 10832239 ORVHEJHEXNUKBM-UHFFFAOYSA-O 438.016 6.166 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2cccc(Cl)c2C)cc1 11259011 PMGCQRHNOXPMEU-UHFFFAOYSA-O 444.045 6.228 30 20 IKED C=CCn1c(SCc2ccc(F)cc2Br)nnc1-c1ccccc1OC 11810773 LDHAKOLWSMDBGR-UHFFFAOYSA-N 434.334 5.334 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2cccc(CC)c2)cc1 14872172 LRLVRDIGEUZDOT-UHFFFAOYSA-O 431.625 6.157 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 26638116 RIALVRAPOIXBAE-FQEVSTJZSA-N 441.556 5.200 30 20 IKED Cc1ccc(C[C@H](C#N)Sc2nnc(S[C@@H](C#N)Cc3ccc(C)cc3)s2)cc1 60721970 ACPZJGGMTCFIDQ-WOJBJXKFSA-N 436.631 5.609 30 20 IKED C=CCn1c(SCc2noc(C3CC3)n2)nc2scc(-c3ccc(C)cc3)c2c1=O 64652159 OZLIJLQSSSVHEU-UHFFFAOYSA-N 436.562 5.172 30 20 IKED N#C[C@H](C(=O)c1ccccc1COc1ccccc1)c1nc(-c2c(F)cccc2F)cs1 64715011 SYUOJJOEGDSLFT-LJQANCHMSA-N 446.478 6.157 30 20 IKED COc1cc(C)c([C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OC 97335052 KUEVQSPGWTWWJF-GOSISDBHSA-N 446.572 5.667 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 105889166 BMHHKJZJONOMQN-UHFFFAOYSA-N 427.508 5.196 30 20 IKED COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)Nc2cccc(OCC#N)c2)c1 107966191 KIFHGCVMWUCRSW-UHFFFAOYSA-N 438.487 5.011 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)c(C)c2)n1 195557037 XYEPWFKPUVEQCV-NRFANRHFSA-N 426.545 5.470 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2cccc(C)c2C)C(C)C)nnc1-c1ccccc1F 219005327 KBIBJXCAPGTXIO-OAQYLSRUSA-N 438.572 5.642 30 20 IKED N#CCCCOc1cccc(CN[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1 237895314 ZNFCDHNKKPWZFS-RUZDIDTESA-N 428.511 5.389 30 20 IKED N#CCCn1ncc(C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)c1-c1ccccc1 428909449 CRVXHXDSAQCTMB-UHFFFAOYSA-N 449.486 5.042 30 20 IKED COC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccc(F)cc1 437964164 OGPCAQLVKVVXTA-DEOSSOPVSA-N 433.483 5.094 30 20 IKED C[C@@H](Sc1ccccc1)c1ccc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 438848374 BITXDZFYYVBQHB-LJQANCHMSA-N 443.576 5.161 30 20 IKED Cc1cc(NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)ccc1C1CC1 439309051 CKCAZNLHJMQPCP-UHFFFAOYSA-N 443.478 5.039 30 20 IKED COc1ccc([C@H](NCc2ccc(C#N)c(OC)c2)c2ccc(C(F)(F)F)cc2)cc1 440627645 UIVYUZXEOQCZLB-HSZRJFAPSA-N 426.438 5.473 30 20 IKED CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 441230758 LUGQMWLFKJGFGZ-TZIWHRDSSA-N 437.609 5.198 30 20 IKED CCCCN(C(=O)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)C1CC1 441713576 KKQFWWALEKOHSJ-UHFFFAOYSA-N 445.441 5.099 30 20 IKED CN(Cc1ccc(F)cc1Br)C(=O)c1cn(CCCC#N)c2ccccc12 444281108 LINAXKBRTGESFT-UHFFFAOYSA-N 428.305 5.119 30 20 IKED Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 446338275 ZNKXEOGOCYCLHZ-VWRAKTAISA-N 447.583 5.152 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ncc(-c3ccccc3)cn2)cc1F 461921497 SEIRKNWMGKXYDA-UHFFFAOYSA-N 439.450 5.268 30 20 IKED C[C@@H](C#N)CSc1ccccc1N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O 463927921 USDNGZKXKYPUEM-HNAYVOBHSA-N 431.508 5.147 30 20 IKED N#CCN1CCC(CNC(=O)[C@@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)CC1 464971580 IVAWXZWZUCONBR-NRFANRHFSA-N 448.419 5.179 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2c(F)cccc2OC(F)F)cc1 465201425 WGBDPMFSYZKNJY-UHFFFAOYSA-N 442.462 5.521 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(-n2ncc3ccccc32)cc1Cl 469411287 CXVOKGDCTJHXCB-INIZCTEOSA-N 446.963 6.183 30 20 IKED C=CCN(CCc1ccco1)C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 469813623 HXJHORBZAKWBCY-UHFFFAOYSA-N 434.323 5.216 30 20 IKED Cc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 471818417 ANNGPYKDPNFYTK-UHFFFAOYSA-N 426.451 5.023 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 473792517 YJJOQJGFLJGCAX-UHFFFAOYSA-N 445.910 5.133 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 476424335 FGEWWGOTGNUKON-UHFFFAOYSA-N 428.866 5.096 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 476771491 HOMJSCJOKZECIG-UHFFFAOYSA-N 448.588 5.900 30 20 IKED Cc1nc(COc2ccc(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)cc2)no1 479679318 XQNXHMQUIAKHCK-UHFFFAOYSA-N 442.500 5.232 30 20 IKED CC(C)c1ccc([C@H](NC(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)C(C)C)cc1 480964301 PAWBKQSYYOJUQT-HTAPYJJXSA-N 427.570 5.015 30 20 IKED C=CCN(C(=O)c1ccc(C)c(Cl)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 482010754 BIIAYJSSHLETJX-UHFFFAOYSA-N 446.981 5.008 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)cc1C 482056542 QFHIWAAKXCVTNY-LJQANCHMSA-N 432.490 5.131 30 20 IKED CC(C)c1c(NC(=O)CCCC(=O)Nc2ccccc2C#N)cnn1-c1ccc(Cl)cc1 482685697 YIUDMDGVHJLNAB-UHFFFAOYSA-N 449.942 5.268 30 20 IKED Cc1cc(C)c(-c2nnc(S[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)o2)c(C)c1 483293580 JCPCXFCGVUCCLC-QGZVFWFLSA-N 438.528 5.228 30 20 IKED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(Cl)c3ccccc23)cc1 483622321 NZYJRGVUGKYKLI-LSDHHAIUSA-N 441.940 5.062 30 20 IKED C=CCn1c(SCC(=O)N(CC)c2nc3ccccc3s2)nnc1-c1ccc(C)cc1 489634547 DGOWHRAUQAYVJT-UHFFFAOYSA-N 449.605 5.194 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(-c2noc(C(F)(F)F)n2)c1 490413219 LFFVXFGTRNGQOW-QZTJIDSGSA-N 441.413 5.059 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(Oc2ccncc2)c1 493537319 SMGIVBRYWFBLKV-UHFFFAOYSA-N 435.483 5.885 30 20 IKED N#Cc1cc(NC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)ccc1Cl 494724717 XQXWCTDWXDNLLP-UHFFFAOYSA-N 447.966 5.297 30 20 IKED N#C[C@@H](C(=O)c1cnc2c(F)ccc(F)c2c1)c1nc(-c2ccc(Cl)cc2)cs1 496030553 VCDDXGMKANZYQP-HNNXBMFYSA-N 425.847 5.780 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCc4ccsc4C3)s2)c(C(F)(F)F)c1 496317476 AAOSFSZDYAVURO-UHFFFAOYSA-N 448.495 5.276 30 20 IKED Cc1ccc(OCc2ccc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)o2)c(C)c1 499430023 GYVLRXIKJIJVOA-LJQANCHMSA-N 439.309 5.233 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc(Br)c2c(c1)OCCO2 499781004 MRRPZAJPCSCJAC-UHFFFAOYSA-N 441.306 5.073 30 20 IKED Cc1ccc(C)c(OC2CCN(C(=O)c3ccc(COc4ccccc4C#N)o3)CC2)c1 501749581 KENDTFIBZWDFRJ-UHFFFAOYSA-N 430.504 5.031 30 20 IKED Cc1cc([C@@H](C#N)C(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)nc(C)n1 502677296 VECNJUQEUHNTHE-GOSISDBHSA-N 442.371 6.183 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)s2)c(F)c1 503005500 ZUIJURPSYRBGQU-PZJWPPBQSA-N 435.524 5.178 30 20 IKED N#C[C@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccc(Cl)c(Cl)c1 505912231 KCLNBZIXXARQDF-KRWDZBQOSA-N 430.316 5.302 30 20 IKED C=CCn1c(CSc2ccccc2OC)nnc1N(C)Cc1nc2ccccc2s1 508798831 XUJHFBDWZFJKGT-UHFFFAOYSA-N 437.594 5.011 30 20 IKED CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 510916721 MUSXTIPBPIMEIQ-UHFFFAOYSA-N 425.941 6.428 30 20 IKED C[C@@H](NC(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1)c1ccc(C#N)cc1 511021253 ZQMXRNYIUSSDLT-MRXNPFEDSA-N 438.959 5.499 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3CCCC[C@H]3c3cc4ccccc4[nH]3)CC2)c(F)c1 511888426 IXLVFRUJMNWMML-VWLOTQADSA-N 430.527 5.149 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4cccc(Cl)c4)n3)n2)cc1 512503167 HCAKRNBRNJFWBK-KRWDZBQOSA-N 446.944 5.949 30 20 IKED N#C[C@H](C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nc(-c2ccncc2)cs1 512970894 XDMSYXWPEDMFPV-QGZVFWFLSA-N 430.514 5.009 30 20 IKED CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(Cl)s1 513017283 JHCINGJXSJJBJL-SFHVURJKSA-N 439.924 5.271 30 20 IKED Cc1noc(C)c1COc1ccc(CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 514607497 BQZKEYYWWUGPLU-UHFFFAOYSA-N 435.549 5.254 30 20 IKED O=C(NCc1ccc(OC(F)(F)F)cc1)Nc1ccc(OC(F)F)cc1OC(F)F 515248722 GZADGEHGRGTNLM-UHFFFAOYSA-N 442.287 5.110 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)Sc1ccc(Br)cc1 517517997 NYCLHVKAQISGFD-KBPBESRZSA-N 435.412 5.963 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1OCC(C)C 518870492 ALLRXZNJZWFREP-OAHLLOKOSA-N 442.487 5.622 30 20 IKED CN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 520605035 BCGZNILSAXPPDC-UHFFFAOYSA-N 439.331 5.044 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc(F)c(Cl)c1 520835637 RGCARVONDMUBMO-UHFFFAOYSA-N 432.826 5.521 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 521327047 OEKSWTIAKCEFGM-AWEZNQCLSA-N 425.554 5.828 30 20 IKED CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@@H](c1cccc(F)c1)c1cnn(C)c1 523109126 VAZHBXCDIOQUDV-VWLOTQADSA-N 440.478 5.085 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@@H]2c2cccc(Br)c2)c1 524434728 HHKHVTRIKZTQNG-MRXNPFEDSA-N 436.256 5.291 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3cccc(C(=O)N4CCCCC4)c3)c2)c1 524500972 GGCJVSOMUKNQDW-UHFFFAOYSA-N 439.515 5.016 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1c1ccc(Br)s1 543277421 FLQAXTRZTFHQEN-HNNXBMFYSA-N 434.359 5.538 30 20 IKED CC1(C)CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@@H]1c1cccs1 554171499 MSSPQIYQINPLCF-OAQYLSRUSA-N 430.533 5.487 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3[C@H]4CC[C@@H]3C[C@H](c3ccccc3)C4)ccc21 554942118 BPFMFMOUEMEUMY-VILGAWFOSA-N 442.563 5.212 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(F)(c2cc(OC)cc(OC)c2)CC1 558800271 KEYQZERIGSNHKV-UHFFFAOYSA-N 440.559 6.048 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)cc2)ccn1 562911823 QUTFCWDQQXDFJS-UHFFFAOYSA-N 446.413 5.250 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccn1 564047281 ACZQLUZUCJMHQD-NRFANRHFSA-N 425.985 5.787 30 20 IKED CCOc1ccccc1Oc1ccccc1C(=O)N(C)CCOCc1ccc(C#N)cc1 568811096 MWKAANHJRDNYDL-UHFFFAOYSA-N 430.504 5.038 30 20 IKED N#CCCN(C(=O)c1cc(COc2ccc(Cl)cc2Cl)on1)c1ccc(F)cc1 577817064 IABUFFOXIKYXAU-UHFFFAOYSA-N 434.254 5.260 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCCN3c4ccccc4C[C@H]3C2)cc1F 577988103 ASTPKMOOGFWIAF-NRFANRHFSA-N 442.494 5.159 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1nc2cc(F)ccc2s1 592973514 GQFPIXSLFOJXGV-ZDUSSCGKSA-N 430.386 5.130 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C3(c4cccc(Br)c4)CC3)cn2)c1 603622845 HSMYVXRNBATFDS-UHFFFAOYSA-N 434.293 5.178 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(CC(=O)NC2CCCC2)CC1 604396684 MHEGTOIYNVHQFU-UHFFFAOYSA-N 447.604 5.011 30 20 IKED C=CCn1c(SCC(=O)N2CCC[C@H](C)[C@@H]2C)nnc1-c1ccc(Cl)cc1Cl 607526183 MDSKMBNLFZUQND-KBPBESRZSA-N 439.412 5.177 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)cc1 608923202 FDMBXXLLDQSQIW-IBGZPJMESA-N 445.485 5.349 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1csc(-c2cccs2)n1 609061537 DNWBIAWMCPLRQB-UHFFFAOYSA-N 445.569 5.812 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H](Nc3ccccc3)C2)cc1 609208145 AXPOBLZTHNMOKR-NRFANRHFSA-N 428.492 5.077 30 20 IKED CCCCCn1nc(C(=O)N(CCC)c2cc(Cl)ccc2C#N)c2ccccc2c1=O 609286225 OIJGHLFQEJUXDI-UHFFFAOYSA-N 436.943 5.169 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 609403160 XWRDRXLZYWCNAL-IAGOWNOFSA-N 436.606 5.960 30 20 IKED CC(C)(C)C1CCC(O)(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 609553870 JVCKZXOOKYLIIG-UHFFFAOYSA-N 449.595 5.421 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@@H](c4cc5ccccc5[nH]4)C3)c2)cc1 609660247 WNIMIKCIWHFBIQ-XMMPIXPASA-N 435.527 5.638 30 20 IKED COc1cccc(/C=C(/CC(=O)N(CCC#N)CC(C)(C)C)c2nc3ccccc3s2)c1 609815963 DEVSYCFVCZXAKC-HKWRFOASSA-N 447.604 6.024 30 20 IKED CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 609927240 FRCPUBOFDDLQMI-SGTLLEGYSA-N 441.837 5.050 30 20 IKED COc1cccc(NC2CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)c1 609930390 BJHGSLMMEVZAKB-UHFFFAOYSA-N 442.519 5.468 30 20 IKED CC(C)(C)c1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)no1 610224259 LHKXKYBLELCXJO-UHFFFAOYSA-N 434.443 5.162 30 20 IKED COc1ccc2c(c1)OCC[C@H]2NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 610320934 LOCLCDFBWQHUTM-FYYLOGMGSA-N 447.922 5.649 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(OCc2ccccc2F)CC1 611261354 LKIYCOQXZCRKGB-QGZVFWFLSA-N 427.545 5.433 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H](C[C@H]4CCOC4)C3)c2)cc1 611357227 LMYZCAPOMMJGTK-JTHBVZDNSA-N 433.552 5.002 30 20 IKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 618749800 XGGKVALONFEQRK-JOCHJYFZSA-N 425.492 5.320 30 20 IKED O=[N+]([O-])c1ccc(N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)nc1-c1ccc(F)cc1 619527153 NZQDIJMISUZOMT-RYUDHWBXSA-N 437.315 5.363 30 20 IKED C[C@@H](Oc1ccc2ccccc2c1)c1nnc(N2CCC(C#N)CC2)n1Cc1cccs1 619853670 JSYNKKNBNFMAAW-GOSISDBHSA-N 443.576 5.421 30 20 IKED C=C(C)Cn1c(N2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)nnc1C(C)(C)c1ccccc1 670196959 QNKNXFBCPRNFDY-IYBDPMFKSA-N 446.439 5.357 30 20 IKED C=C(CNC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F)c1ccccc1 672634866 DDTKZEVBBNREAS-UHFFFAOYSA-N 429.398 5.386 30 20 IKED CCOc1ccc(C(=O)CCC(=O)Nc2nc(-c3cccc(C#N)c3)cs2)cc1OCC 676956476 AMWMSOLZABHSMC-UHFFFAOYSA-N 449.532 5.081 30 20 IKED FC(F)(F)c1ccc(-c2nc(CN3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)co2)cc1 677376325 YCYWMQSRQUPAMK-CHWSQXEVSA-N 446.313 5.923 30 20 IKED O=C(NCC1(Cc2ccc(F)cc2)CC1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 678371308 HRQVAWUSGBQXCZ-FOLVSLTJSA-N 440.403 5.357 30 20 IKED C=CCCC[C@@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl 678894564 FRUZTFIITCOHCW-UZUQRXQVSA-N 437.971 5.023 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3nc(-c4ccsc4)oc3C)n2)cc1 727049881 JTHRBRHPCSROSU-KRWDZBQOSA-N 435.530 5.263 30 20 IKED N#C[C@H](C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1nc2cc(F)ccc2s1 730420830 HHGIAAYJELXIBT-BZUAXINKSA-N 433.533 5.971 30 20 IKED N#Cc1cc([N+](=O)[O-])ccc1N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 731457404 JDMXJJIUKPEWOI-DEOSSOPVSA-N 447.539 5.160 30 20 IKED Cc1ccc(C(=O)N(C)c2ccc(OC(=O)CCCCOc3cccc(C#N)c3)cc2)cc1 731963268 HPCHBNHWOZOZDZ-UHFFFAOYSA-N 442.515 5.298 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(Br)cc2F)cc1 732416854 CLGBKSFBCAWHFK-FQEVSTJZSA-N 438.300 5.565 30 20 IKED CN(C)C(=O)Sc1ccccc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 734323519 IEKAKZNZIJOQLG-UHFFFAOYSA-N 431.517 5.163 30 20 IKED N#C[C@@H](C(=O)CCCCCNC(=O)NC1CCCCC1)c1nc(-c2ccccc2)cs1 734706730 TWOANZXCZQCNPV-FQEVSTJZSA-N 438.597 5.179 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccc(OCc4ccncc4)cc3)c2)s1 740448266 DCMIUCIGNSBHPN-UHFFFAOYSA-N 440.528 5.582 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 741636169 GQAIWXAKQYGMGU-UHFFFAOYSA-N 433.266 5.371 30 20 IKED CC(C)(C)OC(=O)c1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 743094564 ABLJUCDJPWBKOG-XMMPIXPASA-N 441.531 5.619 30 20 IKED Cc1ccc([C@H](O)CNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)o1 743220859 NVFGKAOXIJGSCM-GOSISDBHSA-N 445.397 5.126 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@H](C)c2sc(-c3ccccc3)nc2C)cc1 743472850 QVPZZNZQQPYWJX-QUCCMNQESA-N 432.593 5.413 30 20 IKED Cc1ccc(Br)cc1C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 744026314 VCUWCRDGZXAECJ-HNNXBMFYSA-N 439.281 5.033 30 20 IKED Cc1cc(/C=C\C(=O)c2cccc(O[C@@H](C)C(=O)O)c2)cc(C)c1OCc1ccccn1 745020653 GGYWCGOESRDKEG-GDWUOILNSA-N 431.488 5.025 30 20 IKED O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(-c2ccncc2)cc1 745989888 FHSPCOQMXOTUPU-SEYXRHQNSA-N 442.522 5.952 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1ccc2ccccc2n1 747112161 VUUYIEJIXWEMKE-KRWDZBQOSA-N 438.339 6.084 30 20 IKED COc1cc(/C=C(/Br)c2ncc(-c3ccc(F)cc3)o2)ccc1OCC#N 747163780 BQADREWRDSKNPI-MHWRWJLKSA-N 429.245 5.285 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NC3CCC(N4CCCCC4)CC3)c2)cc1 750996719 BQNRKJUQRFVPQR-UHFFFAOYSA-N 446.595 5.250 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)C[C@H](O)c2cccs2)cc1 752223576 DEVDNSIZSXOTAC-KXBFYZLASA-N 437.521 5.054 30 20 IKED N#CCOc1cccc(CC(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1 760289974 CLIHZRKAIBBXBN-JOCHJYFZSA-N 443.934 5.214 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]21 762958381 YCTSNCNIHUHFHV-HKBOAZHASA-N 425.579 5.160 30 20 IKED N#C[C@H](C(=O)CN(Cc1ccccc1)Cc1ccccc1)c1nc(-c2ccncc2)cs1 766626143 SQUFJEARIJMOMJ-HSZRJFAPSA-N 438.556 5.084 30 20 IKED N#CCCSC1=N/C(=C/c2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1Cl 779403363 GSRPQCOYOXWASF-RVDMUPIBSA-N 436.751 6.037 30 20 IKED COc1ccc(C2(CNC(=O)Nc3ccccc3O[C@H](C)C#N)CCCCC2)cc1OC 780677697 XXNXOIYPMDCKPP-GOSISDBHSA-N 437.540 5.018 30 20 IKED Fc1cccc(F)c1-c1ccc(C=Nn2c(S)nnc2CSc2ccccc2)o1 782245598 RGGGJSJFZMBWCH-UHFFFAOYSA-N 428.489 5.280 30 20 IKED C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 785162024 RQFSZKRKWKDGJY-JSRBVGTNSA-N 437.543 5.110 30 20 IKED CCN(C(=O)c1cc(NC(=O)Nc2ccccc2O[C@@H](C)C#N)ccc1Cl)C(C)C 786471582 ZYGDRHKMPHLESP-HNNXBMFYSA-N 428.920 5.145 30 20 IKED Cc1ccc(Cl)c(NC(=S)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1Cl 787199346 QHZZJJZRAMLCJU-UHFFFAOYSA-N 447.391 5.694 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)NC(=S)N[C@H]1c1cnc(-c2ccc(Cl)cc2)s1 790031944 IPIJZLNKTZCXMJ-IBGZPJMESA-N 443.956 5.122 30 20 IKED C=CCn1c(-c2ccccc2C)nn(CN(CCC(F)(F)F)CC(F)(F)F)c1=S 790410582 PGSPKZYFZRLIGC-UHFFFAOYSA-N 438.441 5.350 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)n1 796950427 XVZVPDAEQLPHIG-GFCCVEGCSA-N 431.533 5.822 30 20 IKED C=CCN(CCC#N)C(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1 816803280 VGPWOYAGVSPQNM-UHFFFAOYSA-N 425.488 5.273 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccccc1SCc1ccccc1 914776974 CFVPARFEJFYVJZ-UHFFFAOYSA-N 441.560 5.081 30 20 IKED N#C[C@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)C(=O)NC1CCCCC1 916895182 GMHPQOPMGHHYPB-JOCHJYFZSA-N 449.501 5.203 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2cccs2)n1)C(=O)Nc1ccc(Cl)cc1Cl 916927909 FIZSIFNYDOWTFE-LBPRGKRZSA-N 436.345 5.068 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CSCc2coc(-c3ccccc3)n2)cc1 916951689 ZZASUEITCLQLCV-HTAPYJJXSA-N 447.560 5.436 30 20 IKED CCNC(=O)COc1ccc(/C=C\C(=O)c2ccc(Oc3ccccc3)c(F)c2)cc1OC 917144335 GEBRHKVECSCHJY-XFXZXTDPSA-N 449.478 5.038 30 20 IKED COc1ccc2c(c1)CC/C(=C/c1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)C2=O 917562045 CROUXVHEKHFXPR-WJDWOHSUSA-N 438.936 5.702 30 20 IKED C=CCSc1ccccc1NC(=O)COC(=O)c1c(-c2ccccc2Cl)noc1C 921248768 DWZUDNNEEARECL-UHFFFAOYSA-N 442.924 5.377 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc4oc(O)nc4c3)cc2Cl)cc1 1562240895 ZKMBDXILDKLGNN-UHFFFAOYSA-N 434.839 5.172 30 20 IKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@]3(F)Cl)CCC2)cc1 1789509854 OERGWMWFQUIXFE-XXBNENTESA-N 449.042 5.096 30 20 IKED CCOc1ccccc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3)CCC2)cc1 1790241047 YGEFUBQJHKMSDX-UHFFFAOYSA-N 439.515 5.018 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5cc[nH]c45)CCC3)cc2)c1 1790257077 FTIMSXCLDYGGNY-UHFFFAOYSA-N 434.499 5.101 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)Cc3ccncc3)cc2)CCC1 1791039450 MPZWQCGWCPPMTB-YKSBVNFPSA-N 431.580 5.163 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Sc3cccs3)CCC2)cc1 1791583653 WAVDPCLHXFRFIZ-QGZVFWFLSA-N 426.607 5.166 30 20 IKED CC(C)(C)CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/C(=O)c1cccs1)C2 1801830566 GDAIHMKBSUNNNZ-SDRBGGSMSA-N 444.641 5.122 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)cc(C)c2)[C@H]1c1cccnc1 1802496092 OMTLFHYYGYRBHM-VWNXMTODSA-N 433.596 5.010 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(F)c2Cl)[nH]n1 1819309532 VZPPTINOHFVUOX-HNAYVOBHSA-N 444.938 5.277 30 20 IKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)[nH]n1 1822584484 RHDKJMZBIQQBDO-FQOCKNPQSA-N 438.616 5.202 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1 1823753600 VAABJCXAZJPFIC-XUZZJYLKSA-N 440.628 5.066 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc(C(F)F)c2)CC1 1824139777 QOBVYEBQTNWVJQ-JOCHJYFZSA-N 445.554 5.021 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CSc2ccccc2)CC1 1826515656 OBWZVLWMFBMNQT-DEOSSOPVSA-N 440.653 5.167 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccccc2)cc1 10170491 GFTKZNJXFHBFPP-UHFFFAOYSA-O 439.551 6.207 30 20 IKED C=CCn1c(SCc2csc(-c3ccccn3)n2)nc2cc(Cl)ccc2c1=O 12239843 GOLXHILUHNKMDA-UHFFFAOYSA-N 426.954 5.047 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)nnc1-c1ccoc1C 23519339 GYEWKAKCTUCQMJ-HIFRSBDPSA-N 430.961 5.044 30 20 IKED CC(C)CC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 25496660 HNNWERRPGFVLTF-MRXNPFEDSA-N 438.597 5.312 30 20 IKED COc1ccc(Br)c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1 31776896 GBEUYGHBIGJSEJ-UHFFFAOYSA-N 437.293 5.161 30 20 IKED C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1cccc(NC(=O)c2ccccc2)c1 58233981 JBGRCSFNVYYDCP-HXUWFJFHSA-N 445.522 5.969 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3cccc(OCc4ccccn4)c3)c2)c1 60976575 JQBMCDWVGOUULB-UHFFFAOYSA-N 435.527 5.401 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 64919178 CTPKFLLTVWHJRQ-UHFFFAOYSA-N 432.486 5.571 30 20 IKED C[C@@]1(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)Cc2ccccc2C(=O)O1 107877742 FRRVWBUEOVUUEO-BWKNWUBXSA-N 430.891 5.106 30 20 IKED CCN(C[C@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)CCC2 116573911 LFTQWHHXOSYJSG-DSPRMBBKSA-N 439.559 5.742 30 20 IKED Cc1nn(-c2ccccc2)c(Cl)c1/C=C\C(=O)c1ccc(OCc2nccn2C)cc1 207055089 NKJYKGGFODLWBJ-SEYXRHQNSA-N 432.911 5.043 30 20 IKED N#Cc1nc(Sc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)ccc1Cl 301519548 KWADKGKDDXUKFV-UHFFFAOYSA-N 428.304 5.311 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(C)n(-c2nccs2)c1C 303021078 RBJSFJKRJWDFCM-UHFFFAOYSA-N 428.517 5.775 30 20 IKED Cc1cc(C)c(C)c(OCCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 409830259 JKPLTTUDLBNSOG-UHFFFAOYSA-N 428.532 5.665 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)o1 410012545 XKMCENIBJPDVRF-GOSISDBHSA-N 441.487 5.277 30 20 IKED N#Cc1cc(NC(=O)C(=O)Nc2cc(C3CCCCCC3)[nH]n2)ccc1Oc1ccccc1 426585487 FKYPISMJWLDJRL-UHFFFAOYSA-N 443.507 5.089 30 20 IKED Cc1cccc2nc(CCC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)[nH]c12 426709594 DNYVOCPQDJEJGW-UHFFFAOYSA-N 428.467 5.032 30 20 IKED N#CCCC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1ccccc1 431465390 NXLPQMUWDIIMJN-UTKZUKDTSA-N 431.367 5.306 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3c(Cl)cc(F)cc3Cl)cc2F)c1 431598936 DOPYJRYWQTZYBH-UHFFFAOYSA-N 433.241 5.975 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(Br)cn1 431972918 OLTRKQQTLQJMAE-AWEZNQCLSA-N 437.297 5.391 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC(C)(C)c1cc(C(F)(F)F)on1 432771747 YZIKIXVVTHAKQL-UHFFFAOYSA-N 444.413 5.723 30 20 IKED C=CCn1c(SCc2nc3cc([N+](=O)[O-])ccc3o2)nnc1-c1ccc(Cl)cc1 434798786 LQWXDBPBOZRZFT-UHFFFAOYSA-N 427.873 5.126 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 437513206 KLGWJSRRWIMINK-WIYYLYMNSA-N 438.503 5.316 30 20 IKED C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 437745517 LITBLQWOPULFMM-AFMDSPMNSA-N 443.522 6.086 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC[C@@H]1c1ccccc1 437891903 QIONCVQJFMTMGD-RLWLMLJZSA-N 439.559 5.989 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)Nc1cccc(C(C)(F)F)c1 439541416 LQQICGWQFAYZAV-UHFFFAOYSA-N 449.457 5.135 30 20 IKED CCCc1c(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cnn1-c1cccc(C#N)c1 440070844 ABYWNFMLBBECLS-UHFFFAOYSA-N 444.466 5.260 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 441098980 VLCAODHYZJHVDH-KUHUBIRLSA-N 439.972 5.980 30 20 IKED C=CCC[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(C(F)(F)F)cc1 441589513 LYKACMBHBQIBLE-OAQYLSRUSA-N 430.470 5.265 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(NC(=O)CC(C)C)c(C)c3)n2)cc1 442670027 CRKQRWVCDMPMAB-FQEVSTJZSA-N 431.561 5.902 30 20 IKED C=CC[C@@H]1N(C(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)CCCC1(C)C 443867389 KJYSQYKGVDKURR-SFHVURJKSA-N 436.383 5.959 30 20 IKED N#CCCCn1cc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)c2ccccc21 444358518 SXVPVQWWVMCSMR-UHFFFAOYSA-N 435.940 5.293 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1ccc(C(F)(F)F)cn1 444457669 CESQXCKQRFRHTL-ZDUSSCGKSA-N 440.299 5.749 30 20 IKED N#CCCCn1cc(C(=O)Nc2nnc(SCc3cccs3)s2)c2ccccc21 444755837 ZFKYBCIOVLMJRA-UHFFFAOYSA-N 439.591 5.403 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3nc(-c4ccccc4OC(F)F)cs3)on2)c1 447478819 GKFOZMHZJBOGQN-UHFFFAOYSA-N 438.415 5.190 30 20 IKED COc1ccc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)c(OCc2ccccc2)c1 447580377 OGKKDPXHFKLBLH-UHFFFAOYSA-N 425.444 5.053 30 20 IKED Cc1nc(-c2cnn(C)c2)sc1C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N 460163664 DJVMTRORGPLZKQ-UHFFFAOYSA-N 447.951 5.224 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1c1ccc(COC)o1 460374429 HXPJYCMBXZFTGN-YLJYHZDGSA-N 440.519 5.214 30 20 IKED COCCOCc1ccc(C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1 463342997 LDQOYYKHBMBOEF-UHFFFAOYSA-N 432.495 5.016 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4cc(C(F)(F)F)ccn4)cc3)o2)c1 464431427 VKHFBZKHQNOUNH-LJQANCHMSA-N 448.404 5.616 30 20 IKED N#Cc1ncn(-c2ccccc2NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)n1 464633923 GWATWKSOXUZLID-UHFFFAOYSA-N 448.722 5.566 30 20 IKED Cc1ccc(-c2cncc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c2)cc1 467064036 UHQLVCMXUYYRGN-IBGZPJMESA-N 440.528 5.136 30 20 IKED C=C[C@@](C)(CC)C(=O)Nc1ccc(NC(=O)c2ccccc2I)cc1 468106394 OOVXOWPOJQQXRI-FQEVSTJZSA-N 448.304 5.084 30 20 IKED C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(OCC2CC2)c(F)c1 469439492 XHZJRCUMUFLGFD-MRXNPFEDSA-N 434.467 5.149 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@H]3C[C@@H]3c3cccc(Cl)c3Cl)ccc21 469950097 HWCVSILCDBMCGC-QZTJIDSGSA-N 442.346 5.319 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccc(Cl)cc1C(F)(F)F 471730106 WYGYZAXYCQRUMT-UHFFFAOYSA-N 443.746 6.028 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 473692548 UBVFWDPBIJNCFF-UHFFFAOYSA-N 444.409 5.006 30 20 IKED N#CC[C@@H](CC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccc1 474427361 AHTCDVXPRIGGBZ-VWLOTQADSA-N 434.543 5.302 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(CCO)Cc1cc(Br)ccc1F 475550289 HMKSCTGFPJUDNR-UHFFFAOYSA-N 449.364 5.467 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC(OCc2cccc3ccccc23)C1 478788214 LKEDWLKWOUWTGO-SFHVURJKSA-N 431.561 5.524 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 479989295 DQPJEGPZDCAQDN-CTUHWIOQSA-N 442.584 6.260 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1 480595707 AEWOIGFPSHBREH-MRXNPFEDSA-N 425.554 5.053 30 20 IKED C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 482442705 XKOQSXIYQGDGLQ-CDMKHQONSA-N 434.327 5.264 30 20 IKED C=CC[C@@H](C(=O)Nc1cccc(NC(=O)COc2ccccc2OC)c1)c1ccccc1 488675356 NFOZKOFWDOERON-JOCHJYFZSA-N 430.504 5.011 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(Oc3ccncc3)c2)cc1 493389147 VBEDRDLAFIRQBC-UHFFFAOYSA-N 437.455 5.799 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](C)NC(=O)c1ccc(Cl)cc1 498301954 SQRGZFOMLMNZBB-INIZCTEOSA-N 433.895 5.069 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCC1 504997213 YGCFHPPAYCKJBF-OAQYLSRUSA-N 436.474 5.420 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)s2)cc1 505108538 FPFYUZXGZRKJPA-AOMKIAJQSA-N 449.576 5.280 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@@]2(CCCOC2)C1 508476831 HOLISDJBIJRHQC-RXFWQSSRSA-N 432.568 5.154 30 20 IKED C[C@@H](COc1ccc(F)cc1F)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 509068354 XEAHKMGAIZIIQZ-INIZCTEOSA-N 438.499 5.326 30 20 IKED COc1ccc([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1F 510006608 TZPLTXLSTJYKNJ-FOIQADDNSA-N 437.902 6.026 30 20 IKED CC(C)n1c([C@@H]2CCCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)nc2ccccc21 510643530 BWRUKLVRPJOMHU-LJQANCHMSA-N 449.986 5.350 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC([C@H](F)c2ccccc2F)CC1 511111709 YWNYSODZNIUQRV-XDHUDOTRSA-N 443.563 5.581 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccc(F)cc4)s3)n2)cc1 512489150 NJEMXYSPAYOTAN-GOSISDBHSA-N 429.501 6.039 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 513383422 PZBGGCQPJMDNAW-QHCPKHFHSA-N 447.332 5.201 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4nc5ccccc5n4C)cc3)o2)c1 513676781 KOSQSYDMZOIGLQ-HXUWFJFHSA-N 433.471 5.089 30 20 IKED C[C@H]1CCCN(Cc2csc(NC(=O)c3cccc(COc4ccccc4C#N)c3)n2)C1 513729816 GYEIAWGFKNMRMG-SFHVURJKSA-N 446.576 5.078 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 515803106 PJYRTFNBKHTQDQ-UHFFFAOYSA-N 431.555 5.452 30 20 IKED O=C(Nc1cc(F)c(F)cc1N1CCCCC1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 516218867 KMIJGDOMDCQWEA-UHFFFAOYSA-N 445.354 5.304 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)n2)cc1 516269867 BGINVLAKGIITEG-INIZCTEOSA-N 430.470 5.295 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccc(Br)cc1Cl 517448773 JXNSHBXCQBVCAP-LBPRGKRZSA-N 439.762 5.372 30 20 IKED Cc1ccc(-n2nc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c3c2CCC3)c(F)c1 517518090 RYHUTOYIBBSJLK-MRXNPFEDSA-N 434.540 5.455 30 20 IKED C[C@H](NC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1)c1ccc(C#N)cc1 517887642 FPVWWNAMUZFLGN-INIZCTEOSA-N 439.346 5.733 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1 518492707 KYYNASXQZKEZOX-UHFFFAOYSA-N 448.950 5.008 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 518751923 ACUZSAFJILMHMM-KDOFPFPSSA-N 431.508 5.881 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(CN3CCCC3=O)cc2)cc1 518770049 GRTFWNYUKBCSCU-UHFFFAOYSA-N 441.556 5.225 30 20 IKED N#Cc1ccc(N2CCN(C(=O)Nc3ccc(Sc4ccccc4Cl)cc3)CC2)nc1 518904146 UYFUNFFMLWBGTR-UHFFFAOYSA-N 449.967 5.112 30 20 IKED COc1cc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)ccc1OCC(C)C 520160650 FPYKRFCUGWTILB-FQEVSTJZSA-N 437.584 5.530 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)s2)c(C)c1 521131658 OLHYXAHFDQJLIB-UHFFFAOYSA-N 444.585 5.907 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 521622722 XZWZTVDGJNHHGL-UHFFFAOYSA-N 448.457 6.285 30 20 IKED CC1CCN(Cc2csc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)n2)CC1 522397166 MPKYUYIXQDURPA-UHFFFAOYSA-N 446.576 5.078 30 20 IKED COCCCOc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cn1 522974159 ZULRJBIXRVKBJF-NRFANRHFSA-N 435.911 5.058 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)C3CCC(NC(=O)CC4CCCCC4)CC3)c2C#N)C1 522978122 MYUHNUROUNORNU-IPJUCJBFSA-N 441.641 5.328 30 20 IKED COc1ccc(C(=O)CCCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1 524125188 SEWZYPSVUWQUBY-UHFFFAOYSA-N 428.488 5.138 30 20 IKED CC(=O)Nc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)ccc1F 524393187 RZMPMIYIVGLGPL-UHFFFAOYSA-N 437.858 5.140 30 20 IKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H]1COc2ccccc21 533629408 FQFGKEQKIFWJIT-FDDCHVKYSA-N 427.504 5.018 30 20 IKED C=C(C)[C@H](CC(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C)OCC 533706445 RHADCWWLVZMAFS-GUYCJALGSA-N 437.403 5.430 30 20 IKED Cn1c([C@H](C#N)C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)nc2ccccc21 539866439 IUSGEJMNLFPNTQ-QGZVFWFLSA-N 447.292 5.013 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3CCO[C@H]3c3ccc(F)c(F)c3)cc2)c1 540556042 YEXWMPRRMBGVQB-GOTSBHOMSA-N 435.430 5.280 30 20 IKED CC[C@@H](N[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)c1nc(C(F)(F)F)cs1 541636871 HTIBEBNWRUFOCJ-NVXWUHKLSA-N 438.519 5.155 30 20 IKED Cc1cccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)c1C#N 543283733 NLVAXGKHAORQFI-NRFANRHFSA-N 438.314 5.018 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 543880203 GXKSJNWLABZIHS-HUUCEWRRSA-N 437.491 5.165 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CNC1(c2ccc(Cl)c(Cl)c2)CC1 553356509 WMNOTAMMTRYMFD-AWEZNQCLSA-N 434.392 5.463 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)N[C@H](c3ccc(Cl)cc3)C3CC3)CC2)c(F)c1 557739543 CBGBGNAONRJXGM-QFIPXVFZSA-N 427.907 5.055 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 558315011 SRDOBRKLNWIIAJ-UHFFFAOYSA-N 427.888 5.223 30 20 IKED N#Cc1cc(C(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)cnc1C(F)(F)F 559095650 QXACAKDZIBYIGG-UHFFFAOYSA-N 443.335 5.046 30 20 IKED COc1ccc([C@H](NCc2ccc(Br)cc2C#N)c2ccccc2OC)cc1 573405273 XHPVOPSCQMBRMR-QHCPKHFHSA-N 437.337 5.217 30 20 IKED COc1cccc(CC2CCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)CC2)c1 589366836 GUKCWBWSFDFGAF-UHFFFAOYSA-N 442.519 5.241 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(Cc1ccccc1F)C1CC1 589757747 IFPUBUNPVXHICU-CHWSQXEVSA-N 426.376 5.409 30 20 IKED COc1ccccc1-c1nnc(S[C@H](C#N)Cc2ccccc2)n1-c1ccc(C)cc1 604044211 CAFKSULWBJMDHR-NRFANRHFSA-N 426.545 5.478 30 20 IKED Cc1ccc(C)c([C@@H](C)N(C)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 604500502 MSMRBIBXCBLSPB-MRXNPFEDSA-N 437.594 5.544 30 20 IKED C[C@H](CN(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 609005261 VOLIEWZFHRIVSW-JPYJTQIMSA-N 445.950 5.196 30 20 IKED Cc1nc(NC(=O)[C@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)sc1C 609387234 UGLNKZBDAVDIGY-NSHDSACASA-N 428.505 5.224 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NCc3csc(-c4ccccc4)n3)cc2)cc1 609514170 FVFUORBPZOKYIO-UHFFFAOYSA-N 425.513 5.598 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 609729805 QRCVQZVZMPWJBH-UHFFFAOYSA-N 446.894 5.564 30 20 IKED COc1cc(CSCC(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1cccc(C#N)c1 609741102 DUQSOLZCGJDSTD-GCJKJVERSA-N 438.593 5.074 30 20 IKED CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 610018691 ZEJWGFZHXKYXBV-QFIPXVFZSA-N 434.927 5.801 30 20 IKED Cc1ccc(C(=O)Nc2cc(C#N)ccc2OC(F)F)cc1NC(=O)Nc1ccccc1 610153642 DQPXAFOLUKQWER-UHFFFAOYSA-N 436.418 5.364 30 20 IKED Cc1nc(C(C)C)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 613344951 YUBXQDYRCUZGLJ-CYBMUJFWSA-N 436.389 6.495 30 20 IKED O=C(c1ccc(Oc2ccc(F)cc2)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618301340 NOUGVWPNWWXTOF-ZIAGYGMSSA-N 435.339 5.821 30 20 IKED O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1cc(C(F)(F)F)ccc1F 622590135 ZUXYPILMVFJYJE-SFHVURJKSA-N 449.366 5.761 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 669809300 YGDIHIJOWKKOIC-QGZVFWFLSA-N 449.942 5.222 30 20 IKED Cc1c(Cl)cccc1-n1c(SCc2ccc(OCC#N)cc2)nnc1-c1ccncc1 729241390 ZHNWKHQYSXABEI-UHFFFAOYSA-N 447.951 5.486 30 20 IKED Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c(C)c1 730375535 JFUVARIVTMHOCZ-SFHVURJKSA-N 446.478 5.599 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12)c1nc(-c2c(F)cccc2F)cs1 730923321 GNESTDFZICJJCN-IPMKNSEASA-N 430.479 6.221 30 20 IKED CC[C@@H](C#N)Oc1cc(CNCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)ccc1OC 733330315 UBTSXRKINWQVSI-NRFANRHFSA-N 438.612 5.967 30 20 IKED COc1ccccc1OCCN(C)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 735004079 RSSMKGYAWRDVSK-UHFFFAOYSA-N 436.895 5.164 30 20 IKED CC[C@H](Cc1cccc(Br)c1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 735400231 UIIVKZITQHKKFV-GDBMZVCRSA-N 446.295 5.639 30 20 IKED C=CCn1c(SCc2cccc(Cl)n2)nc2scc(-c3cccs3)c2c1=O 743248462 UKTPCVJITJAQHU-UHFFFAOYSA-N 431.995 5.713 30 20 IKED C[C@@H](C#N)CN(C)C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 743876771 GNZXHAHRQNHVON-HNNXBMFYSA-N 440.619 5.187 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)/C=C/c3ccc(-c4ccc(F)cc4)s3)o2)cc1 744546252 QFMRQWAQZOTUKW-ZRDIBKRKSA-N 431.448 5.232 30 20 IKED C[C@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nc(Cc2ccccc2)no1 744957694 PSQJRZSWXRLZJR-KRWDZBQOSA-N 425.444 5.242 30 20 IKED C[C@@H](Oc1cccc(C(=O)/C=C/c2csc(-c3ccc(C(F)(F)F)cc3)n2)c1)C(=O)O 745021810 RQLBKMBVHGDWGQ-WTNCMQEWSA-N 447.434 5.577 30 20 IKED COc1ccc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1OCCCC#N 747472796 CLOJCOKKQKYMEO-NOEYKIMYSA-N 438.574 5.340 30 20 IKED O=C(/C(=C/c1cnc(-c2ccccn2)s1)c1nc2ccccc2s1)c1ccccc1 753133401 CDKXUMJIFGMPLM-JXAWBTAJSA-N 425.538 6.238 30 20 IKED C[C@@H](OC(=O)c1ccc(Cl)c(C#N)c1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 754908548 NEFGUHNSINVSDK-MRVPVSSYSA-N 432.090 5.356 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(F)cc1OCC#N 760783846 MISJAUVEINODOS-ZDUSSCGKSA-N 445.903 5.297 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)N[C@@H](c3ccc(Cl)cc3)c3ccsc3)CCO2)c1 761667233 VQFPZGQQXSWDOQ-YADHBBJMSA-N 437.952 5.146 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)Nc1ccc(F)cc1OCC#N 761669379 WSLCLOOTJFAYPA-CYBMUJFWSA-N 444.919 5.696 30 20 IKED N#CCOc1cccc(CC(=O)Nc2c(Oc3ccc(Cl)cc3)ccc3ncccc23)c1 764532668 PAAQLXIPFRJEBN-UHFFFAOYSA-N 443.890 5.764 30 20 IKED COc1cc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)ccc1F 765619032 WFNGWWSMOCXJLC-UXBLZVDNSA-N 430.888 5.525 30 20 IKED CC(=O)N(c1nc(/C=C2\C(=O)c3ccccc3[C@@H]2C(C)C)cs1)c1ccc(F)cc1F 766505079 GLJJMJKJEGWGPR-MNGMOJQWSA-N 438.499 6.125 30 20 IKED C=CCn1c(-c2cccs2)nn(CN2Cc3cccc(Br)c3C2)c1=S 769778500 COFRHMYGQICNGD-UHFFFAOYSA-N 433.400 5.064 30 20 IKED CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H](N[C@@H](CCC#N)c3ccccc3)c3ccccc3O2)C1 773086358 ILFGGGUYDOREBJ-OBTVHEKISA-N 447.579 5.524 30 20 IKED C=C(C)[C@H](NC(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1)c1ccc(F)c(F)c1 773473970 NRIBLKLPTSRAPO-VXKWHMMOSA-N 434.914 5.391 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\CC(=O)Nc3ccccc3C2=O)cs1 774143963 YYJOKVXMKVVYRA-GXDHUFHOSA-N 437.908 5.090 30 20 IKED O=C(NOCc1ccc(C(F)(F)F)cc1)N[C@@H](c1c(F)cccc1F)C(F)(F)F 776009242 WXEIIKRJTDCBOK-AWEZNQCLSA-N 428.279 5.018 30 20 IKED C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(N(C)C)cc1 776238488 OHCFGIDZKZNLJS-IBGZPJMESA-N 430.527 5.236 30 20 IKED CCOc1ccccc1NC(=O)[C@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccccc1 777171591 BZGICIDSTDQBCR-XMMPIXPASA-N 440.499 5.177 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)OCc1ccccc1NC(=O)c1ccco1 778312876 KOEACUBHXDEAHM-UHFFFAOYSA-N 438.439 5.553 30 20 IKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc(OC)c1C(C)C 781449190 UFDIXHSJSBKFPV-MRXNPFEDSA-N 448.491 5.103 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)c3c(Cl)ccc(Cl)c3Cl)n2)c(Cl)c1 782516064 GHXUTRDGCOUSBO-UHFFFAOYSA-N 426.090 5.610 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCOc2ccc3c(c2)NC(=O)CC3)cc1 782545080 GWBRDJTXBBDYCA-DEOSSOPVSA-N 439.515 5.024 30 20 IKED Cc1cc([C@H](CC(=O)OCC2(C#N)CCCCC2)NC(=O)OC(C)(C)C)cc(Cl)n1 788373085 KFPDCZMKPXVZPP-KRWDZBQOSA-N 435.952 5.017 30 20 IKED CN(C)Cc1cnc(/C=C\C(=O)c2ccc(-c3ccccc3Br)s2)s1 794700056 OSWWJXHTHXRKDI-YFHOEESVSA-N 433.396 5.592 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)cc2)nc1 796449278 HAHFNDDDNIJPGX-UHFFFAOYSA-N 430.483 5.048 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)[C@H]1OCCc2sccc21 796760539 AKRWTHPIHSXGCL-CBLJQSSYSA-N 428.966 5.651 30 20 IKED COc1cc2c(cc1NC(=O)N1CCC(C#N)(c3ccccn3)CC1)oc1ccccc12 800005517 QFLWXPOOTLNBHB-UHFFFAOYSA-N 426.476 5.079 30 20 IKED Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 800143822 HOJFQWRUYLTGLX-UHFFFAOYSA-N 440.271 5.097 30 20 IKED CCn1c(SCCO[C@H](C)C#N)nnc1-c1cc(-c2ccccc2)nc2ccccc12 801653840 CGFSOWKGNZVDPL-QGZVFWFLSA-N 429.549 5.201 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Cc3cncc4ccccc34)n2)cc1 805864922 RFOJZSJSGRNVID-KSFYIVLOSA-N 427.529 5.422 30 20 IKED CCCOc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC 915354114 VUMABDFUBXAVPM-QHCPKHFHSA-N 429.520 5.461 30 20 IKED COc1cc(C=Nn2cnc3ccccc32)ccc1OCc1ccc(Br)cc1 915957470 ZOKBAJHSIUUZTM-UHFFFAOYSA-N 436.309 5.269 30 20 IKED CCNC(=O)COc1ccc(/C=C\C(=O)c2cc3c(ccc4ccccc43)o2)cc1OC 916132208 UQECAJRLXUWBDS-FLIBITNWSA-N 429.472 5.006 30 20 IKED COc1cccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)c1OC(F)F 916277216 YXIQGPRGRBRXPT-UHFFFAOYSA-N 445.278 5.033 30 20 IKED Cc1cccc(CSCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 916910673 UDEFSYLKAGQEFP-OAQYLSRUSA-N 430.529 5.368 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(CC)cc3)s2)cc1 916911930 DTCZHTSVPLINRV-HXUWFJFHSA-N 433.533 5.041 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1csc(-c2ccc(Cl)cc2)n1 916915958 LWBFJMJQHQDNDM-GOSISDBHSA-N 431.904 5.578 30 20 IKED C[C@@H](Sc1ccc(Cl)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916927629 MRAQIMSHXWINRU-YGRLFVJLSA-N 427.740 5.475 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccccc3Cl)o2)cc1Cl 916939419 RNOIPTQMWODMPZ-AWEZNQCLSA-N 429.259 5.223 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(OCc3csc(C)n3)c2)cc1 916955837 VFSANODILSMWEE-HJPURHCSSA-N 447.560 5.505 30 20 IKED COc1ccc(SCCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917043352 LCYHZXRDTLSVTQ-OAHLLOKOSA-N 436.480 5.682 30 20 IKED N#C[C@@H](C(=O)C1(c2ccc(Br)cc2)CCC1)c1nc2cc(Cl)ccc2s1 917046598 LELHYXPTCYYRBD-HNNXBMFYSA-N 445.769 6.010 30 20 IKED CC(C)N(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)Cc1ccc(Cl)c(Cl)c1 917160761 GIXMVGCHMRZZAP-QGZVFWFLSA-N 439.346 5.441 30 20 IKED N#C[C@@H](C(=O)[C@H](Oc1ccccc1Br)c1ccccc1)c1nc2ccccc2o1 917510122 OZKRRFGIFYCTHW-KSFYIVLOSA-N 447.288 5.587 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cc3cc(Cl)ccc3o2)cs1 917559417 IRUXIDFCJVOLMG-YVMONPNESA-N 440.883 6.263 30 20 IKED N#Cc1ccccc1NC(=S)N(Cc1cccs1)c1ccc(Br)cc1 917582963 VTILOQRYMBSNBZ-UHFFFAOYSA-N 428.380 5.786 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C 920110458 RIYBKPCNBGDKGQ-HXUWFJFHSA-N 435.911 5.107 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Sc3ccccc3Cl)n2)cc1 920139373 SNUKKEDZYNRGOS-BBRMVZONSA-N 428.966 5.829 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 920872164 HLEFEDRLCBZGGN-FQRUVTKNSA-N 440.547 5.061 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1cnn(-c2ccccc2)c1C)[n+]1ccc(C(C)(C)C)cc1 1117127551 LBZDLACQVJJUQF-UHFFFAOYSA-O 447.628 5.143 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)cnc3OCC)cc2)CCC1 1789840087 GVYYEXFRQLKALR-MRXNPFEDSA-N 441.959 5.094 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3F)cc2)CCC1 1790651803 VIQTZGNPASJMQY-UHFFFAOYSA-N 432.417 5.006 30 20 IKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4coc(C(C)C)n4)CCC3)cc2)c1 1790796849 OMIOPIOIZHLQPD-UHFFFAOYSA-N 442.519 5.040 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(C)ccc4[nH]3)CCC2)cc1)C(F)(F)F 1791303167 PLBLYUQBTHZFAK-UHFFFAOYSA-N 441.453 5.343 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)(C)C)cc3)CCC2)cc1 1791584400 NMXNEYCNCCKJAT-UHFFFAOYSA-N 432.564 5.415 30 20 IKED CC(C)(C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)C2 1792708447 SSZRVAWKIHTSKD-KOUNCHBCSA-N 437.628 5.083 30 20 IKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)CCc4ccc(C)c5ccccc45)CC3)C2)C1 1804787746 PPXQJFGKSAXQTD-UHFFFAOYSA-N 444.619 5.278 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@H](C)c3ccc(OC)cc3)C2)CC1 1805316292 AZKLMPWHWJHHLZ-OAQYLSRUSA-N 440.628 5.022 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)CSc3ccc(C)cc3)CC2)C1 1805457199 ZGWXIDIYCOYBMD-UHFFFAOYSA-N 440.653 5.087 30 20 IKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4cc(F)ccc4s3)[nH]n2)C1 1814395340 OTLKAVBORJERAU-GOSISDBHSA-N 438.528 5.036 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2)[nH]n1 1819307253 DMXNEVOGLGSMSB-QUCCMNQESA-N 426.948 5.137 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)n[nH]1 1822021036 XJTBEQZXCUYWCM-RCLSDMTESA-N 426.605 5.221 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)C1 1823699826 DZAKIWQBSHBHFW-HSZRJFAPSA-N 449.620 5.010 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC)cc2F)CC1 1823753639 WRLVSIGKJVJENJ-QHCPKHFHSA-N 444.591 5.060 30 20 IKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCC3CCC3)CC2)c(Cl)c1 1824352321 ATRLXUHRWPIHGB-QHCPKHFHSA-N 442.003 5.025 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)CC1 1828039248 CBDQHDHGKGOWPB-RUZDIDTESA-N 433.596 5.170 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)cc2)CC1 1828827392 MEVTTXCPNBVFLE-DHIUTWEWSA-N 429.004 5.342 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2Cl)CC1 1829893835 FMYPCXVTIWVVCC-OFNKIYASSA-N 429.004 5.342 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)c(OC)c2)CC1 1830068186 VKFWYNSHGAPUGX-RPWUZVMVSA-N 438.612 5.005 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3[nH]c(C)cc3c2)CC1 1831034597 CSZKUOUPGHFEAQ-AOYPEHQESA-N 447.623 5.478 30 20 IKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnc(CCCCC)s3)CC2)C1 1831140800 XBSSTEPATOCWMQ-OAQYLSRUSA-N 443.657 5.075 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCc3ccccc32)CC1 1831974776 OVYJTNXJEXRTIB-CLJLJLNGSA-N 434.624 5.105 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 10174083 AKECNEVPIJJAMX-UHFFFAOYSA-O 445.486 5.486 30 20 IKED C=CCn1c(-c2cccc(C)c2)nn(CN2CCC(C(=O)c3ccccc3)CC2)c1=S 14311324 IUPAWUZOYKHYDU-UHFFFAOYSA-N 432.593 5.128 30 20 IKED CCc1cccc(CC)c1/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(C)c(Cl)c2)S1 15231710 BREMGXYZMFQIJC-SFHVURJKSA-N 429.973 5.021 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)nnc1-c1cccnc1 18405096 BFJBXWAVXOFPNO-JOCHJYFZSA-N 441.560 5.307 30 20 IKED CCOc1ccc(OCc2nnc(SCCC#N)n2-c2ccc(C)c(Cl)c2)cc1 20969781 SMELRIFWKPIAQQ-UHFFFAOYSA-N 428.945 5.213 30 20 IKED O/C(=N\c1nc(CN2CCOCC2)cs1)[C@@H](Sc1ccccc1)c1ccccc1 22701689 KRBXXBAJZWRNSU-FQEVSTJZSA-N 425.579 5.097 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)NCc2ccccc2)[n+]2ccc3c(c2)CCCC3)c1 22730749 WDNFICAAEWMYGZ-UHFFFAOYSA-O 429.609 5.198 30 20 IKED N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SCc1csc(-c2ccsc2)n1 28140054 YNESAPIJIYJTSC-UHFFFAOYSA-N 449.586 5.265 30 20 IKED O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1cccc(C#Cc2cccs2)c1 30929646 OGCVSBMZVMWNMN-UHFFFAOYSA-N 435.505 5.068 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnn(-c3ccccc3C)c2C)cc1 60347581 XNHBGDWVFDDLFA-UHFFFAOYSA-N 438.487 5.414 30 20 IKED COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(OCCCC#N)c2)c(OC)c1 110431082 BLFOURCAJRAMAJ-VWLOTQADSA-N 443.503 5.157 30 20 IKED O=C(COc1cccc(NC(=O)c2ccco2)c1)Nc1cccc(C#Cc2cccs2)c1 116894040 ITMMBIASBSKNQY-UHFFFAOYSA-N 442.496 5.011 30 20 IKED C=CCCc1ccccc1NC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 410353157 QUCXLUOFWOYRBS-UHFFFAOYSA-N 437.341 5.278 30 20 IKED C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N[C@H](CCCC#N)c1ccccc1 431287455 MADHIKOFMNKWNQ-FOIQADDNSA-N 432.337 5.254 30 20 IKED N#CCCn1cc(CNCc2ccccc2-c2ccc(Cl)cc2)c(-c2ccncc2)n1 433332904 ZSLOFLSZNYIRDN-UHFFFAOYSA-N 427.939 5.469 30 20 IKED O=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)N[C@H](c1cccc(F)c1F)C(F)(F)F 436367766 LHHJODDGPDKZIX-PVXIVEMSSA-N 436.327 5.025 30 20 IKED CO[C@@H](C)c1nc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cs1 438594190 YEEURNHXDDQFDT-ZDUSSCGKSA-N 442.928 5.490 30 20 IKED Cc1cccc(NC(=O)CN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1C 438648497 JXNQEXWJVOIBLA-UHFFFAOYSA-N 446.482 5.209 30 20 IKED Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)cc2)co1 438726083 RPIWBTGPMKFQAW-UHFFFAOYSA-N 449.463 5.254 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)o1 440747157 LGEGWXLHKPKPAP-FQEVSTJZSA-N 446.894 5.237 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCCC[C@H]1c1ccc(F)cc1F 442311905 CHAHLJLMCKDZSQ-YWZLYKJASA-N 443.519 5.051 30 20 IKED CS(=O)(=O)c1cccc([C@H](NCC#Cc2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 443539660 OUMYHHGKNITDLM-HSZRJFAPSA-N 444.383 5.128 30 20 IKED Cc1ccc(-n2nc(C)c(NC(=O)CNc3ccccc3SC[C@H](C)C#N)c2C)cc1 444400596 OHCLGHRFBOQUQR-QGZVFWFLSA-N 433.581 5.100 30 20 IKED C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 460546473 UUTCKPYOSFMOSK-PGRDOPGGSA-N 448.567 5.135 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC2(CCOCC2)CC1 460785243 SEBQFEXKOVQCDH-NRFANRHFSA-N 446.595 5.544 30 20 IKED Cc1nc(SCC(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)c(C#N)c(C)c1C 464173415 FYIXSJSCEPSXKR-UHFFFAOYSA-N 438.940 5.450 30 20 IKED N#CCCN(C(=O)CCC(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1)c1ccccc1 464220994 JDDRHLLCJBQDDK-AREMUKBSSA-N 437.543 5.040 30 20 IKED C[C@H](CC(=O)N(CCC(F)(F)F)CC(F)(F)F)c1ccc(F)c(Br)c1 464529268 RJOYIXYRPMYXGE-SECBINFHSA-N 438.181 5.425 30 20 IKED CN(Cc1cc(Cl)cn1C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 467026054 WKWMWMBXCJYSDR-HXUWFJFHSA-N 427.335 5.651 30 20 IKED O[C@@H](CN[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)CC(F)(F)F 469768425 KMZAYSDJQMYDEV-ZJUUUORDSA-N 437.224 5.231 30 20 IKED C=CC[C@@H]1N(C(=O)CCc2ncc(-c3ccccc3Br)o2)CCCC1(C)C 470300781 XJLWUJKUUJWFET-IBGZPJMESA-N 431.374 5.630 30 20 IKED N#CCCn1ccc(NC(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)c(F)c2)n1 470342574 DDVDVOAYUQDNHY-UHFFFAOYSA-N 434.258 5.679 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 472464777 SRQHAZUBKOQLOC-UKILVPOCSA-N 444.506 5.047 30 20 IKED COc1cccc(C=C2CCN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)CC2)c1 472920784 KEZAZEHVOPUMAD-UHFFFAOYSA-N 428.488 5.058 30 20 IKED COc1ccc([C@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)c2c[nH]c3ccccc23)cc1 474430764 YWOOOEJGNQJFJW-DEOSSOPVSA-N 437.543 5.540 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)C[C@H](CC#N)c1ccccc1)C(F)(F)F 476395830 GVYXKEJSCCRBCE-WMZHIEFXSA-N 440.469 5.296 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 477637712 BYCRPPLOWGXMBX-QHCPKHFHSA-N 428.492 5.244 30 20 IKED N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)cc1 477687334 BSNGDPOECXIKOX-MRXNPFEDSA-N 426.423 5.022 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc2cc(F)cc(Cl)c2o1 479495237 FZBPZRSZPSKLJF-NSHDSACASA-N 435.933 5.745 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)NCCc2nc(C(F)(F)F)cs2)cc1 479943182 VDAVKKTVLMYTCU-UHFFFAOYSA-N 433.480 5.157 30 20 IKED C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccc(Sc2ccccc2C#N)cc1 480112970 XSPFNSGHKIICPE-NOVUIFNWSA-N 434.586 5.280 30 20 IKED Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1ccccc1Oc1ccccc1C#N 480624700 RYWLPZCQDDVMDM-UHFFFAOYSA-N 433.895 5.071 30 20 IKED C=C(C)[C@H](NCc1csc(N(C(C)=O)c2ccccc2F)n1)c1ccc(F)c(F)c1 481613179 OFEVZECTAZPWED-NRFANRHFSA-N 431.483 5.652 30 20 IKED N#Cc1ccc(CN[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c(OC(F)F)c1 484574068 OOBOLKXOJORUCV-NRFANRHFSA-N 436.437 5.180 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2ccc3ncsc3c2)cc1C 485641489 GDBCOOAVFARWCI-QGZVFWFLSA-N 429.549 5.181 30 20 IKED N#CCCC[C@@H](NC(=O)c1ccc(I)cc1Cl)c1ccccc1 487186432 PAGUFEHUOROYCR-QGZVFWFLSA-N 438.696 5.110 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 490210859 CYJJTTYBINNYBK-UHFFFAOYSA-N 446.547 5.052 30 20 IKED C=CCN(CCc1ccco1)C(=O)Cc1csc(-c2cc(Br)cs2)n1 496690900 RMGLLTZVMKLPTD-UHFFFAOYSA-N 437.384 5.027 30 20 IKED N#Cc1ccc(C2=CCN(Cc3ccnc(-c4ccc(Br)cc4)n3)CC2)cc1 502534086 JEKPTGBOYVOZMM-UHFFFAOYSA-N 431.337 5.067 30 20 IKED N#CCCCCNC(=O)c1cc(/C=C\c2cccs2)nc2ccc(Br)cc12 505072736 BJQFRRAQGKTEMF-FPLPWBNLSA-N 440.366 5.653 30 20 IKED C[C@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)C(c1ccccc1)c1ccccc1 505323978 BEAOYQWAFXWWLD-QFIPXVFZSA-N 438.575 5.001 30 20 IKED Cc1onc(-c2cccc(Br)c2)c1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 505832487 LSVOQWLDBSAGHL-MRXNPFEDSA-N 430.689 5.061 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(CN(Cc2ccc(C#N)cc2)C2CC2)cs1 506553093 UACJMJGTJOFFNV-UHFFFAOYSA-N 436.968 5.517 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)N[C@@H](C)c2ccccc2OC)cc1 507815371 ZVHWOQQWSUIDQZ-ZWKOTPCHSA-N 445.519 5.046 30 20 IKED C[C@@H](Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1)C(=O)Nc1ccccc1C#N 507880596 OECKMFZWKFTASZ-OAHLLOKOSA-N 443.894 5.386 30 20 IKED Cn1c(-c2ccc(COc3ccc4ccccc4c3)cc2)nnc1N1CCC(C)(C#N)CC1 508972198 LKMYERSBYXJBNM-UHFFFAOYSA-N 437.547 5.344 30 20 IKED C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 510666945 OHJTXIUXQXBVAV-SFHVURJKSA-N 438.491 5.156 30 20 IKED Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511379568 CLVBUGNYYNBQLU-SANMLTNESA-N 425.532 6.009 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N[C@@H]3CCc4c3ccc(Cl)c4Cl)CC2)c(F)c1 512267882 HCIYLWANEANLKZ-LJQANCHMSA-N 432.326 5.024 30 20 IKED O=C(c1cc(F)c(Br)c(Cl)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 512732808 CKASKWRFKKOFCQ-UHFFFAOYSA-N 442.556 5.199 30 20 IKED CC(C)Oc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(F)c1 513861150 GVVLXAPWKRVLAR-UHFFFAOYSA-N 435.474 5.858 30 20 IKED C=CCN(C(=O)c1ccc([N+](=O)[O-])n1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 516462165 MRKXPVLNEHCZIY-UHFFFAOYSA-N 444.516 5.557 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cnn1-c1ccc(Cl)cc1 516713610 BPIMJXUELYJLQD-IBGZPJMESA-N 443.919 5.319 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cccc2ccccc12 516736426 LTVGKCDWWUONGP-SFHVURJKSA-N 435.483 5.320 30 20 IKED Cc1ccc(OCc2nc(CSCC(=O)Nc3cc(Cl)ccc3C#N)cs2)cc1 517976488 WXGDWYYZJDQMKQ-UHFFFAOYSA-N 443.981 5.428 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3C(=O)c3cccs3)n2)cc1 518516511 HWZDRLWQCHZCTK-LJQANCHMSA-N 444.537 5.601 30 20 IKED CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)[C@@H]1CCOC(C)(C)C1 518839698 DUEQYIOAEPPWLI-GOSISDBHSA-N 427.932 5.815 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)NC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 519174761 BERQNFAKHKLBJH-UHFFFAOYSA-N 447.485 5.179 30 20 IKED N#CCCCOc1cccnc1NC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1 519331310 NTFQBMHEGYJIBT-UHFFFAOYSA-N 435.911 5.178 30 20 IKED Cc1cccc(C2(CNC(=O)C(=O)Nc3ccccc3S[C@@H](C)CC#N)CCCCC2)c1 521803818 BYZBKNBUDSRUNG-FQEVSTJZSA-N 449.620 5.346 30 20 IKED CCc1cccc2c1OCC[C@H]2NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 523211251 JUYCDKIKMXKZET-RUZDIDTESA-N 443.522 5.495 30 20 IKED N#CCCn1ccc(NC(=O)c2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)n1 524005163 YZULEIBEHFJWHM-UHFFFAOYSA-N 425.448 5.029 30 20 IKED Cc1nc(O)c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1-c1ccccc1 530698845 NMWZOHWJIXNISG-UHFFFAOYSA-N 449.510 5.660 30 20 IKED CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)N(C[C@H](C)C#N)C2CC2)ccc1Cl 532811373 BLLJQIFQRKVGRP-QGZVFWFLSA-N 438.959 5.158 30 20 IKED Cc1cccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1Br 533795264 VTYAEGGTVYVDFW-UHFFFAOYSA-N 434.293 5.134 30 20 IKED CN1CC[C@@H](CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 534229073 CSSUBJQWSUORFC-KKSFZXQISA-N 428.939 5.095 30 20 IKED C=CCc1cc(CNC(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)cc(OC)c1OC 535221816 STIOGUIUIBUQJZ-INIZCTEOSA-N 431.602 5.223 30 20 IKED C[C@H](C(=O)N[C@@H](C#N)c1ccc(Br)cc1)c1cccc(C(=O)c2ccccc2)c1 535584819 FLIJPMRPCZZRFU-AOMKIAJQSA-N 447.332 5.165 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 536281403 PMSOUOCAYUFEMW-KXBFYZLASA-N 447.507 5.145 30 20 IKED C[C@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(-c2cccnc2)cc1 538224353 XBISOOWGQIHLPM-KRWDZBQOSA-N 430.577 5.240 30 20 IKED Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 541064747 FECZWKPOEDNJLS-GOSISDBHSA-N 438.531 5.765 30 20 IKED Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 541064775 FECZWKPOEDNJLS-SFHVURJKSA-N 438.531 5.765 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)c1c(C)n(C2CCCC2)c2ccc(OC)cc12 541352885 DHMFRCVZIYVAGZ-UHFFFAOYSA-N 447.535 5.223 30 20 IKED Cc1c(C(=O)Nc2ccccc2S[C@H](C)CC#N)oc2c(Br)cccc12 542043186 KQTDOFOKIFMAIR-GFCCVEGCSA-N 429.339 6.150 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ccc(Br)s2)s1)c1nnc2n1CCCCC2 542950048 NTGJVTXQUSCDNB-NSHDSACASA-N 447.383 5.047 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)c1ccc(-c2ccc(Br)s2)s1 543912261 LSEAGFKLLDKLJP-UHFFFAOYSA-N 432.368 5.190 30 20 IKED CC(C)c1noc(Cc2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2)n1 546594104 HBDVQCADSKELJW-UHFFFAOYSA-N 442.475 5.080 30 20 IKED Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1ccccc1 549501864 WWJGMEPWVRZPEQ-IBGZPJMESA-N 449.986 5.477 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 554334692 RJULZUOPRKZDGM-UHFFFAOYSA-N 447.251 5.163 30 20 IKED COc1ccccc1-c1ccc(CN(CCC(=O)Nc2ccccc2C#N)C(C)C)cc1 568340665 VLHIYNZLOHVBIW-UHFFFAOYSA-N 427.548 5.473 30 20 IKED CCO[C@@H](c1noc(C(F)(F)c2ccccc2F)n1)c1ccc(F)cc1C(F)(F)F 569622677 AGVDBWNUJSJDMH-OAHLLOKOSA-N 434.311 5.633 30 20 IKED CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)NCc1nnc(-c2cccc(C#N)c2)o1 574083685 HPSLYULHYNHWQX-LJQANCHMSA-N 428.458 5.374 30 20 IKED C=C(C)COc1cccc(NC(=O)NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)c1 578087378 OSYAZRQNLVCQTH-UHFFFAOYSA-N 446.551 5.083 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(F)cc1OC1CCOCC1 582199560 GRHSPZPWXKAMQF-OAHLLOKOSA-N 429.517 5.279 30 20 IKED O=C(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 586182432 UDYNVVWVKZTOCC-HEQLZXTPSA-N 448.329 5.334 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C(=O)N[C@@H]2CCOc3ccccc32)C(C)C)n1 602755579 IUTBTIGWZYKCGS-MJGOQNOKSA-N 449.498 5.037 30 20 IKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccccc1-c1ccccc1C#N 603774233 AILXYLLEOASIHV-UHFFFAOYSA-N 431.495 6.038 30 20 IKED CSCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)oc2ccccc12 603836574 IFZVJJYTGJZVEX-INIZCTEOSA-N 438.961 6.563 30 20 IKED COc1cccc(-c2nc(CNc3cccc(OCc4cccc(C#N)c4)c3)cs2)c1 604007224 YNHAHLDWOPERQV-UHFFFAOYSA-N 427.529 5.881 30 20 IKED N#CCCCOc1cccc(CN[C@H](c2ccccc2)c2ccc(Br)cc2)c1 608861022 IVZWTMNHWLEDFF-XMMPIXPASA-N 435.365 6.011 30 20 IKED N#C[C@H](NC(=O)c1ccc(F)cc1Br)c1ccc(OCc2ccccc2)cc1 609028901 ZYHAPCRANWRDBM-NRFANRHFSA-N 439.284 5.162 30 20 IKED COc1ccc([C@@H]2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)C2)cc1 609079584 GWPHRZVFCLZSAD-HSZRJFAPSA-N 441.531 5.476 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 609382818 TZJISBNAVCDBMA-KPZWWZAWSA-N 431.970 5.033 30 20 IKED CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2ccc(C#N)nc2)cc1 609640544 AXRPYXNUJWTVEV-UHFFFAOYSA-N 427.382 5.415 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N[C@H](c3ccc(Cl)cc3)C3CC3)c2)cc1 609936933 SDFOOVWIRRLKIY-QHCPKHFHSA-N 445.906 5.210 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)nnc1-c1ccncc1 613365211 PCXXTWXBRWMZAD-MSOLQXFVSA-N 443.576 5.037 30 20 IKED C=CCn1c(SCC(=O)N(C2CCCCC2)C2CC2)nnc1-c1ccc(Cl)cc1 642062169 OGGVCYXBJNKWNE-UHFFFAOYSA-N 431.005 5.200 30 20 IKED O=C(Nc1ccc(OC(F)F)c(Cl)c1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674549232 BFOZWGRRXLQRKQ-HTQZYQBOSA-N 426.691 5.146 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(C(F)(F)F)ccc1F 675439284 WQRANVSTHDMFFT-MYJAWHEDSA-N 425.266 5.484 30 20 IKED O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 679572938 CAGVISWWBFNHKE-OCAPTIKFSA-N 440.718 5.536 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 684800952 RGUXUJRHBYFJIP-DSKWVYQCSA-N 446.794 5.544 30 20 IKED COc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Br)cc3)o2)cc1NC(C)=O 726427879 AGRTTWHGKBKZKI-CSKARUKUSA-N 440.293 5.572 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)s2)[n+]2ccc(CCC)cc2)c1 726573643 OCNONEJAUDECDT-UHFFFAOYSA-O 440.013 5.946 30 20 IKED N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)c(C(F)(F)F)c1 728061301 UEENSROBSCTRAQ-MRXNPFEDSA-N 448.388 5.122 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)/C=C\c1ccc(C(C)(C)C)cc1 731071601 UFSOGERBYDFDRY-DEQJRXDXSA-N 436.577 5.431 30 20 IKED C=CCN1C(=O)N[C@@H](c2ccc(CC)s2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 731176619 CHBJBXOEOMZHQR-IBGZPJMESA-N 449.498 5.494 30 20 IKED CC[C@H](C#N)Oc1cc(CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])ccc1OC 733302523 YYWKWPPICMADEV-HXUWFJFHSA-N 445.475 5.127 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H](Oc2ccc(F)c(F)c2)c2ccccc2)c1 733773170 SVNNLSUQMXXLHX-CYFREDJKSA-N 436.458 5.082 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC(c3c(C)[nH]c4ccccc34)CC2)c1 733805215 OLKATXADVGATCU-OAQYLSRUSA-N 430.552 5.247 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)c1 733807984 XXIOVVSFCBTKTL-LAUBAEHRSA-N 431.458 5.433 30 20 IKED Cc1cccc(-c2nnc([C@H](C)OC(=O)c3cccc(COc4cccc(C#N)c4)c3)o2)c1 734592066 CMKSBLZZHIIGBQ-SFHVURJKSA-N 439.471 5.414 30 20 IKED COc1cc(COC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)ccc1OCc1cccc(C#N)c1 735134641 QQOOBYHGJDMPJQ-WOJBJXKFSA-N 447.453 5.558 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)OCC(=O)Nc3c(Cl)cccc3Cl)c2)cc1 738749454 LZWGQIVIUAZVCY-UHFFFAOYSA-N 440.286 5.404 30 20 IKED COc1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c(C(F)(F)F)c1 740436591 BUDXKRSCWJPVJG-UHFFFAOYSA-N 431.439 5.636 30 20 IKED C=CCn1c(Cc2ccccc2)nn(CN2CCC(OCC3CCCCC3)CC2)c1=S 742170659 VXDODLHTWHJALT-UHFFFAOYSA-N 440.657 5.210 30 20 IKED CN(C)C(=O)c1cccc(CNc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c1 742263518 PSLPUROIFQOACN-UHFFFAOYSA-N 439.437 5.683 30 20 IKED C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1 744823600 MIYPCVOCRSJDAG-LLVKDONJSA-N 434.304 5.139 30 20 IKED CCCOc1c(Cl)cc(C=NO[C@@H](C)c2nnc(-c3cccs3)o2)cc1OCC 748097722 POOLSRXEILKZSV-ZDUSSCGKSA-N 435.933 5.751 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(Cl)c(Br)c1 753532241 IWGRCXDXQDFOAT-OAHLLOKOSA-N 427.685 5.217 30 20 IKED COc1ccc(/C=C(/C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1F 755612228 NGLGJRAWHRVCPB-HOFZKYPUSA-N 426.900 5.891 30 20 IKED N#CCCn1cc(C(=O)COC(=O)c2ccccc2SCc2ccco2)c2ccccc21 760880697 GKVRDXYOALIKRN-UHFFFAOYSA-N 444.512 5.480 30 20 IKED CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 761620147 UFVVZOHJMPOGGX-WMZHIEFXSA-N 433.552 5.318 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(-c3ccccc3)o2)cs1 761805043 WPDHBCGCNKTIMJ-FMIVXFBMSA-N 432.476 6.123 30 20 IKED CC1(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)CCC1 764755282 UMAVRPIQCDRTJQ-UHFFFAOYSA-N 428.213 5.161 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN2Cc3ccccc3-c3ccccc3C2)c1=S 764965312 KAPXLHXDLGZGRN-UHFFFAOYSA-N 425.561 5.302 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 765388397 JLZFABGJPUONFW-UHFFFAOYSA-N 446.513 6.073 30 20 IKED O=[N+]([O-])c1cc(C=NOCc2nc(-c3c(F)cccc3F)cs2)ccc1N1CCCC1 774724252 DAODKTCAUAMXNH-UHFFFAOYSA-N 444.463 5.147 30 20 IKED C=CC[C@@H](NC(=O)N1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1)c1ccncc1 774873555 JVWMKRCGDAOUPP-PZJWPPBQSA-N 448.592 5.420 30 20 IKED Cc1cc(C#N)ccc1NC1CCC(OC(=O)c2ccccc2COC2CCOCC2)CC1 779235967 UULILWDYYOUPDB-UHFFFAOYSA-N 448.563 5.142 30 20 IKED CCOc1ccc(NC(=O)c2ccc(NC(=O)Nc3ccccc3O[C@@H](C)C#N)cc2)cc1 780465858 WPILFTMHFRMIMH-KRWDZBQOSA-N 444.491 5.272 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCCc2nc(C)sc21 780870235 OFDWHZHIFKHJBL-QGZVFWFLSA-N 438.366 5.128 30 20 IKED CCN(CC)C(=O)CCC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 782552439 FOUMYUOAJKJSGC-RUZDIDTESA-N 446.595 5.235 30 20 IKED C[C@H](Oc1ccc(C(=O)OCc2nnc(-c3cccc(C#N)c3)o2)cc1)c1ccccc1 788226578 MRIBKTIPOXDIAZ-KRWDZBQOSA-N 425.444 5.105 30 20 IKED COc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(OCCOC(C)C)c1 789620108 DKRSJPHETJPKDC-VWLOTQADSA-N 444.531 5.407 30 20 IKED COc1cc2c(cc1NC(=O)COC(=O)c1ccc(C(C)(C)C#N)cc1)oc1ccccc12 796042342 FWHAFAVKBURNJU-UHFFFAOYSA-N 442.471 5.191 30 20 IKED C[C@@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1ccc(N(C)Cc2ccccn2)c(F)c1 796723454 BRVHFBMVZKWWID-KNQAVFIVSA-N 431.511 5.549 30 20 IKED CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[C@H](C#N)c1ccc2ccccc2n1 805845705 XZEKULBHZRAKNZ-NFBKMPQASA-N 443.547 5.703 30 20 IKED COc1cccc(-c2nn(C(C)(C)C)cc2/C=C2/C[C@H](C(=O)O)c3ccccc3C2=O)c1 806559333 AGTKIITXIXMCEV-SJAXDAAESA-N 430.504 5.152 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 810821162 GJIFKXYZACXYKR-UHFFFAOYSA-N 444.491 5.023 30 20 IKED N#Cc1ccccc1-c1ccc(COC(=O)[C@H]2CCCCN2C(=O)c2cccs2)cc1 875289095 YBBQCAQBSPZXCN-JOCHJYFZSA-N 430.529 5.025 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 877695194 ZXJJCODTMNWNEE-UHFFFAOYSA-N 433.924 5.141 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2csc(Br)c2)cc1 915349916 ANSRDAUIDDJHMY-SFHVURJKSA-N 426.339 5.488 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Sc1ccc(Cl)cc1 916901597 LYCXIJCOTOXOIE-DOMZBBRYSA-N 437.348 5.139 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1sc2cccc(Cl)c2c1Cl 916924406 CPKPLSYPQYLMOZ-NSHDSACASA-N 433.316 5.568 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)C(=O)Nc2ccc([C@@H](C)CC)cc2)cc1OC 916954677 JUSAUJRIEPPJID-KXBFYZLASA-N 442.943 5.612 30 20 IKED CC(=O)N[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1)c1ccc(Cl)cc1 916974225 HHYOEQAGYQAGKV-PMACEKPBSA-N 437.952 5.216 30 20 IKED CCc1noc(CCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1 916995697 CLJQWNPKSGLCMP-ZDUSSCGKSA-N 435.336 5.261 30 20 IKED COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)c(OC)c1 917558466 SNTLPQZIDBOVMA-IZZDOVSWSA-N 442.924 5.394 30 20 IKED CN(C)c1ccc(CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C2CC2)cc1 918034978 FRLOXNIZOZFODE-UHFFFAOYSA-N 427.508 5.008 30 20 IKED FC(F)Sc1ccc(NC(=S)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 918721105 BCKZMHCVLLGGFJ-IUCAKERBSA-N 438.409 5.761 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)cc1 919867602 BYPAMMLRSIFSEA-UHFFFAOYSA-N 435.524 5.100 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 919893206 AMYCEDUBCNCWJH-UHFFFAOYSA-N 443.503 6.258 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4ccc(C)cc4)n3)n2)cc1 920140717 BEDCBWBAJPIKLE-HXUWFJFHSA-N 445.569 5.670 30 20 IKED COc1ccc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)cc1OCc1ccccc1 920749718 LVGMSMQGQNHCEN-ZRDIBKRKSA-N 429.472 5.127 30 20 IKED Cc1occc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1787366534 WPZDMQJSCGQEJQ-QGZVFWFLSA-N 427.504 5.277 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cccnc3C(C)(C)C)cc2)CCC1 1788335864 YEJPPDXDORDLNH-UHFFFAOYSA-N 449.595 5.110 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4cc(C)ccn34)CCC2)cc1 1789457950 HYXRMBYVLNRWSD-QFIPXVFZSA-N 442.563 5.159 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4cc(C)[nH]c34)CCC2)cc1 1790568605 WEERDQUBNHJROZ-SFHVURJKSA-N 446.551 5.025 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc4c(ccc5ncccc54)s3)CCC2)cc1 1791588466 ROVUAURZMYQJMS-UHFFFAOYSA-N 441.556 5.773 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C)c(C)c2)[C@@H]1c1cccnc1 1811869462 ZUHLROIKVJRSRY-RPWUZVMVSA-N 433.596 5.010 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2CCC(F)(F)CC2)[nH]n1 1814440331 QNFXXKOVFUZDMF-SFHVURJKSA-N 436.547 5.220 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CSc2ccccc2)n[nH]1 1816947897 FYKBTRXPQZLUJQ-HXUWFJFHSA-N 440.613 5.187 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2C(C)(C)C)n[nH]1 1817707655 AMRIJLPTODKULY-NRFANRHFSA-N 449.599 5.177 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cc(C)cs2)[nH]n1 1819304124 ZVCLQLLLLUEUQK-CTNGQTDRSA-N 440.613 5.173 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccccc2Cl)[nH]n1 1819553462 IKGTXYJOEUTFJR-HXUWFJFHSA-N 442.991 5.290 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3[nH]c(C)cc3c2)n[nH]1 1821582028 MNFYTUTYKLLHOD-QHCPKHFHSA-N 445.567 5.274 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)C1 1823697904 FCBKOIBQYINDRF-RUZDIDTESA-N 434.624 5.084 30 20 IKED Cc1cscc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1827807098 PHDPNAJFDXIFHT-HOYKHHGWSA-N 449.620 5.231 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3cc(C)[nH]c23)CC1 1828208850 GQVVTONILVYCPK-NOZRDPDXSA-N 447.623 5.478 30 20 IKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)Oc2ccc3ccccc3c2)CC1 1830171938 GETZWKZFANHNFL-RUZDIDTESA-N 448.607 5.193 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(OC)c2)CC1 1830462486 GPFHXEYKKXXCLF-LOSJGSFVSA-N 438.612 5.005 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)cccc2F)CC1 1832547293 NJDDXKWLLRILKZ-QHCPKHFHSA-N 426.576 5.136 30 20 IKED N#Cc1ccsc1NC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 9249152 BWPAOVUAIWROJS-UHFFFAOYSA-N 438.965 5.402 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cccc(Cl)c2)cc1 10830501 VKUCNBOVWBYBSF-UHFFFAOYSA-O 445.942 5.909 30 20 IKED C[C@H](Nc1ccc(NC(=O)c2ccco2)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 26989211 TZMFCBIJDNALIQ-HNNXBMFYSA-N 448.548 5.173 30 20 IKED C=CCNC(=O)Nc1ccc(N[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)cc1 29721009 GEQMKVIVBYATDY-HSZRJFAPSA-N 448.954 5.748 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)CCC(=O)c3ccc(Cl)cc3)c2)cc1 58425998 JKSSKPURZKBHMZ-UHFFFAOYSA-N 432.907 5.587 30 20 IKED CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 107876055 OAQLQAKWWRYWJI-QFIPXVFZSA-N 431.923 5.842 30 20 IKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 108268366 HVJOYSIUSMLFPL-INIZCTEOSA-N 446.532 5.132 30 20 IKED C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 108374933 CAJGVVPMTQBHTC-KOSHJBKYSA-N 439.515 5.178 30 20 IKED COc1cc([C@@H](C)NCc2cccc(OCc3ccccc3C#N)c2)cc(OC)c1OC 237385897 DBPCVGQJKFQIKL-GOSISDBHSA-N 432.520 5.014 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(OC(F)F)cc1 303023683 RPLVOAJWODIZAO-UHFFFAOYSA-N 437.899 5.590 30 20 IKED C=CCn1c(SCc2nc(CCC(C)C)no2)nnc1-c1ccc(Br)cc1 303068701 ZKRJCPBZVSTMSO-UHFFFAOYSA-N 448.390 5.158 30 20 IKED CCC(C)(C)OCc1cccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)c1C 428649447 MNWSMTOMIBQPQB-UHFFFAOYSA-N 430.552 5.730 30 20 IKED C[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1noc(Cc2ccccc2)n1 430561425 LLRRLEUGOZBZRN-KRWDZBQOSA-N 440.528 5.174 30 20 IKED COc1ccc(-c2cc(NC(=O)C3(c4cccc(C#N)c4)CC3)ccc2OC(F)F)cc1 435047421 AFFHWBHPJPQHME-UHFFFAOYSA-N 434.442 5.506 30 20 IKED C=CCC[C@H](NC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1)c1ccccc1 435759419 HUHYHLIBXMVFHJ-CYFREDJKSA-N 428.536 5.402 30 20 IKED Cc1ccccc1C1(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CCOCC1 437466430 JNCJQNQKZMQLAX-UHFFFAOYSA-N 430.479 5.485 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CC[C@H](CSc4ccccc4)C3)c2)cc1 438041053 LXKUFNFMSCXSNB-FQEVSTJZSA-N 429.545 5.997 30 20 IKED O=C(Nc1ccc(CCC(F)(F)F)cc1)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 439639790 ACTXIHHGQPPRQN-UHFFFAOYSA-N 446.326 5.172 30 20 IKED C=C(C)Cn1c(SCC(=O)N(CC)c2ccc(Cl)cc2F)nnc1-c1ccco1 441429544 NVQPFUBEESSBCA-UHFFFAOYSA-N 434.924 5.052 30 20 IKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1 442063481 MNESYYYYRCNKMW-UZLBHIALSA-N 444.000 5.434 30 20 IKED COc1cc(/C=C2/CCn3c2nc2sc(C)c(-c4ccccc4)c2c3=O)ccc1C#N 442327454 SCUBXFFYJZCEDW-PDGQHHTCSA-N 425.513 5.258 30 20 IKED CCn1c(-c2ccccc2)c(C(=O)Cn2cc(C#N)c(=O)c3nc(C)ccc32)c2ccccc21 443549273 KZBUQKFIDKHUNP-UHFFFAOYSA-N 446.510 5.101 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)c2cccc(CN3CCCC3=O)c2)c1 460343448 NPHVQPCJYCHALN-UHFFFAOYSA-N 443.934 5.181 30 20 IKED CCSc1cc(Cl)ccc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 460774971 PRYKNPIGHCSTJE-UHFFFAOYSA-N 447.010 5.720 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)cc1 463578272 ODAXBLKFDMMEAT-UXHICEINSA-N 436.433 5.491 30 20 IKED CSc1cccc([C@@H](NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c2cc(F)ccc2F)c1 464130520 GGZMKQZKCOFVON-NPMXOYFQSA-N 438.499 5.231 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 465771454 UZPDVUKOVKPZHR-DQEYMECFSA-N 444.579 5.187 30 20 IKED COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3SCCC#N)s2)cc1 466352230 JWAPHBOWDVXRLR-UHFFFAOYSA-N 437.546 5.267 30 20 IKED CCO[C@@H]1C[C@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C12CCCC2 466434663 SJYSREKIEDKINO-BJKOFHAPSA-N 433.552 5.191 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1cc(Cl)ccc1OCC1CCC1)c1ccccc1 467043684 GRSBCPSPBQJOMA-UHFFFAOYSA-N 439.943 5.184 30 20 IKED C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(Cl)ccc1OC(F)F 469200934 HXZWEJSLPKLDGL-AWEZNQCLSA-N 433.886 5.697 30 20 IKED N#Cc1ccc(C[C@H](C#N)C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 470793859 FZQAOILBCMMXCZ-MRXNPFEDSA-N 426.423 5.022 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3ccc(N[C@@H](C)c4ccccc4)cc3)C2)n1 471998256 MQKAORPRBGHZBT-NZQKXSOJSA-N 439.563 5.290 30 20 IKED C[C@@H]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)[C@@H]1c1cccc(F)c1 472704699 ZIOLMZWKBZSBLX-BCHFMIIMSA-N 443.522 6.086 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1 476131603 CXAFSAZUSWJFQE-UHFFFAOYSA-N 428.598 5.009 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2csc(-c3ccco3)n2)cc1 478860488 WDZCBNYJWKJNHO-UHFFFAOYSA-N 431.542 5.497 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CCC)[C@H]2CCCc3cccnc32)cc1 480838088 MEMQNRPZPDSMMS-QHCPKHFHSA-N 432.568 5.217 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1)c1ccc(C#N)cc1 481131322 MNZXBMJWOMBVKN-OAHLLOKOSA-N 435.936 5.179 30 20 IKED C=C(C)Cn1c(SCc2csc(-c3ccc(OC)cc3)n2)nnc1-c1ccncc1 481344887 ULYHVIUZDYEHMK-UHFFFAOYSA-N 435.578 5.341 30 20 IKED C=C(C)Cn1c(SCC(=O)N2CCCC[C@@H]2c2ccc(C)cc2)nnc1-c1ccco1 481944422 RURSOTJBXMZBLM-HXUWFJFHSA-N 436.581 5.269 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4nc(-c5ccccc5)oc4c3)n2)cc1 483514249 QZXCTIYPOVZDGT-HXUWFJFHSA-N 446.491 5.980 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3COC3CCOCC3)cc2)c1 487598918 CILSBVPUHQZVTG-UHFFFAOYSA-N 442.515 5.085 30 20 IKED C/C=C\c1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 489943272 AMTUUIRJZLCKBJ-KXFIGUGUSA-N 427.529 5.574 30 20 IKED C=CCN(C(=O)c1ccc2[nH]c(C(=O)OCC)cc2c1)c1nc(-c2ccccc2)cs1 490908842 FZYMWMRDNGFPRG-UHFFFAOYSA-N 431.517 5.301 30 20 IKED COc1ccc(Cl)cc1-c1nc(SCc2cc(C#N)ccc2Br)n[nH]1 491874660 TYVSBDDOAUWAEQ-UHFFFAOYSA-N 435.734 5.060 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)c1 492915427 YYLRQUNAJBCRHE-UHFFFAOYSA-N 435.842 5.280 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](c1ccccc1)c1ccc2ccccc2c1 496588757 BGTBNBCIJQZCTD-HHHXNRCGSA-N 440.543 5.802 30 20 IKED Cc1ccc(Oc2ccccc2NC(=O)Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)cc1 502833593 NBIOHGXFPXDAGG-UHFFFAOYSA-N 443.890 5.266 30 20 IKED Cc1onc(-c2cccnc2)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 506460526 OUHZCCDVMQMRDP-FQEVSTJZSA-N 428.879 5.606 30 20 IKED CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510007112 WBWBWLXXPCILBJ-RBBKRZOGSA-N 435.980 6.598 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCCc3nc(O)ccc32)cc1Cl 510022338 CJLZDKXAIYULRF-DENIHFKCSA-N 432.911 5.295 30 20 IKED CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=O)c1cc(C#N)ccn1 510136502 SLIZIVIYHROITO-QFIPXVFZSA-N 439.437 5.254 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)CC1 510758531 MRVFNBQAEKYFAR-UHFFFAOYSA-N 447.922 5.519 30 20 IKED CCC(CC)N(C(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@H]1CCCc2cccnc21 511314669 KJGOENNOYTYKCD-DEOSSOPVSA-N 446.595 5.203 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@@H](C)c1ccc(C#N)cc1 512784696 ZTVDUMDCSLLYGP-GJZGRUSLSA-N 425.941 5.366 30 20 IKED CN(C(=O)c1ccc(Br)cc1Br)c1cc(Cl)ccc1C#N 513155202 URQTYJZDIUVXNM-UHFFFAOYSA-N 428.511 5.013 30 20 IKED COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Nc2ccc(Oc3ccccc3C#N)cc2)c1 513201223 MKGKOTLMPNHXQJ-MSOLQXFVSA-N 445.519 5.046 30 20 IKED Cc1cccc(CN(CC(C)C)C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 515202488 UBMSZBOGCQOWQT-UHFFFAOYSA-N 446.551 5.016 30 20 IKED CC1(C)Cc2cc(C(=O)N3CCC(C#N)(c4ccccn4)CC3)sc2-c2ccccc21 515673555 WVODHRYPWTVPIW-UHFFFAOYSA-N 427.573 5.341 30 20 IKED CCOc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1OCc1cccnc1 518140389 ZXQXJEYDXHLIIP-SFHVURJKSA-N 447.560 5.563 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN([C@H](C)c2ccc(F)cc2F)CC1 518259247 FYIZJUGZTKVTRB-IAGOWNOFSA-N 444.551 5.270 30 20 IKED COc1cc(C)ccc1Oc1ccc(NC(=O)CCCCOc2cccc(C#N)c2)cn1 518903793 VSHNAICGMCCOFM-UHFFFAOYSA-N 431.492 5.250 30 20 IKED COc1ccc(-c2cc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)sc2C)cc1 520271402 KMHJXZTZBJFASJ-LJQANCHMSA-N 430.451 5.746 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccccc3OCCc3ccccc3)cc2)nc1 520323039 MZUCQACCDVXSEG-UHFFFAOYSA-N 435.483 5.619 30 20 IKED COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 520625211 SRZYMTXRHOYDAK-MSOLQXFVSA-N 445.519 5.046 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC(COc3ccccc3)CC2)cc1 521251843 PDGNORSWGPNYGJ-UHFFFAOYSA-N 430.479 5.421 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1C 521308203 QNLVSVBZQBFYRW-UHFFFAOYSA-N 439.606 6.140 30 20 IKED COCCN(CCOc1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 521785408 OIWSZWUHYXEEEF-UHFFFAOYSA-N 449.482 5.049 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnc(-c2ccccc2)s1 524388687 SRIQSJALXMAEIZ-UHFFFAOYSA-N 425.513 5.822 30 20 IKED Cc1ccc(C[C@H](NCc2cccc(OCc3cccc(C#N)c3)c2)c2ccccn2)cc1 524550863 JSRWZCIVCPTJTI-LJAQVGFWSA-N 433.555 5.914 30 20 IKED CCc1cccc(CC)c1Nc1nnc(SCc2nnc(-c3ccc(C#N)cc3)o2)s1 525109819 UQUPFLQTVVBORP-UHFFFAOYSA-N 448.577 5.620 30 20 IKED COc1ccc2nc(C)cc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c2c1 525539561 HZPHMRBLTHDBOR-UHFFFAOYSA-N 437.499 5.449 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3csc([C@H]4CCCO4)n3)cc2Cl)cc1 535125363 RCXSLDGNCKLCCR-LJQANCHMSA-N 425.897 5.564 30 20 IKED CCc1nccn1C[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 538435808 CQLXFOUPLAODKX-LJQANCHMSA-N 449.942 5.459 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 541031817 LVMZLWKGTQKFEH-UHFFFAOYSA-N 438.314 5.758 30 20 IKED CCOc1cccc2cc([C@H](C)NCC(=O)Nc3ccccc3SC[C@H](C)C#N)oc12 544483139 RUQLMPCFOFHNTK-SJORKVTESA-N 437.565 5.373 30 20 IKED C=CCC[C@H](NC(=O)Nc1cccc2c1CCN2C(C)=O)c1ccc(C(F)(F)F)cc1 546685129 IVZQKUNUFWRCGZ-IBGZPJMESA-N 431.458 5.443 30 20 IKED C=C(C)Cn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N1CC[C@@H](COCC)C1 549279209 HMBYDOOKIFXUGR-LJQANCHMSA-N 443.551 5.192 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3ccc(-c4nc5ccccc5s4)o3)CC2)c(F)c1 552689600 DOCJNEHNWKQAET-UHFFFAOYSA-N 447.491 5.251 30 20 IKED N#Cc1cc(Cl)cc(Br)c1NCc1ccc(COC2CCOCC2)cc1 553504492 CQNVLDIWBFIIRT-UHFFFAOYSA-N 435.749 5.282 30 20 IKED N#Cc1ccc(-c2nnc(N3CC[C@H](c4c(F)cccc4F)C3)n2Cc2cccs2)cc1 555439478 FMMMSWASJWCHJF-SFHVURJKSA-N 447.514 5.199 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1)[C@H]1C[C@@H]1C 563563742 DKMKEYUXWQKNIP-QYBDOPJKSA-N 439.515 5.151 30 20 IKED C=CCn1c(Cc2ccc3ccccc3c2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 570887631 GPOVPFFONYASNO-WHUARKNTSA-N 444.604 5.143 30 20 IKED N#Cc1ccc(CNc2cccc(NC(=O)CCN3CCCCC3)c2)c(C(F)(F)F)c1 574609079 PACQFLVJPBYSIO-UHFFFAOYSA-N 430.474 5.004 30 20 IKED CC[C@H](C)n1ncc2c(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cc(C)nc21 587988765 OIVQMRJSRRKXBI-LPHOPBHVSA-N 429.549 5.633 30 20 IKED N#Cc1ccc(NC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cc1F 589350031 VCUFVYLMJQUBQY-UHFFFAOYSA-N 429.282 5.633 30 20 IKED C[C@H]1[C@H](C)CN1CC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccccn1)CC2(C)C 590196571 XUXZODXCUOAJDP-LJFOUZCWSA-N 432.593 5.072 30 20 IKED CC(=O)c1cccc(O[C@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 590237456 QVWLJULLDGUUFP-QGZVFWFLSA-N 448.906 5.399 30 20 IKED CCOC(=O)c1ccc(C#N)c(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)n1 591614871 VZGUURIIKPAZRW-UHFFFAOYSA-N 425.554 5.108 30 20 IKED CCOc1ccc(OC(C)(C)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 603738895 GIWPADPFJSRPDE-UHFFFAOYSA-N 431.492 5.249 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CSc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 603937920 ALKDNBGCMCMQPW-UHFFFAOYSA-N 448.470 5.019 30 20 IKED COCCCOc1cccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 608552919 SJZFRETVXRJDHJ-INIZCTEOSA-N 434.439 5.220 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CNc2ccc(CC#N)cc2)cs1 608923632 YCHUWWXCYHLHNH-UHFFFAOYSA-N 430.455 5.525 30 20 IKED CCc1c(C)sc(NC(=O)CCc2ccc(OCC(F)(F)F)c(OC)c2)c1C#N 609031748 VJDNJCBAMULLMO-UHFFFAOYSA-N 426.460 5.012 30 20 IKED Cc1cc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c(C)n1-c1nccs1 609173877 ZJGSFUJYFQADCI-HSZRJFAPSA-N 442.544 5.124 30 20 IKED Cc1cccc(NC(=O)CN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1C 609434238 IKJRATZJTYVBII-UHFFFAOYSA-N 428.492 5.070 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(N2c3ccccc3C[C@H]2C)CC1 609435569 YGSUDPGYNYDBOA-MOPGFXCFSA-N 434.609 5.528 30 20 IKED COc1cc([C@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)ccc1OC(C)C 609499851 MJVYNLFXOPQSAN-KRWDZBQOSA-N 431.492 5.032 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CCCN(c4ccccc4)C3)c2)cc1 609681824 BLUQLNYAAQVOCJ-XMMPIXPASA-N 440.547 5.122 30 20 IKED CC(C)[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1nc(C2CC2)no1 609724418 ZNDBMLPNRPLSKD-FQEVSTJZSA-N 436.899 5.391 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)Cc1ccc(C#N)cc1 610051987 DTEKVFWIBSLBRP-ZDUSSCGKSA-N 440.366 5.173 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2csc(-c3cccc(Cl)c3)n2)c1C 610054052 LIKJGEFTRZQEHF-UHFFFAOYSA-N 433.924 5.390 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)N[C@@H](C)c1cccc(C#N)c1 610326770 MFMDATCCWWSSBX-INIZCTEOSA-N 427.483 5.442 30 20 IKED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1sc2cccc(Cl)c2c1Cl 613125870 HGGRXKQPDULYNQ-UHFFFAOYSA-N 428.304 5.221 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(Cc4ccc(F)cc4)nc3C)n2)cc1 613318807 GNNCRDDVQINJFZ-IBGZPJMESA-N 447.560 6.103 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c23)cc1 614999814 KGQCWPQQHGWMHQ-UHFFFAOYSA-N 446.532 5.045 30 20 IKED COc1cccc(/C=C(/CC(=O)N2CCC[C@](C)(C#N)C2)c2nc3ccccc3s2)c1 618861967 NIAIWHJPCYUXJV-XDCGKPNXSA-N 431.561 5.388 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCOc2c(Br)cccc2C1 619317157 CYXJAIBVQSBHKM-AWEZNQCLSA-N 446.370 5.127 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCOc2c(Br)cccc2C1 619317159 CYXJAIBVQSBHKM-CQSZACIVSA-N 446.370 5.127 30 20 IKED C=CCOc1c(Br)cc(CNc2cccc(NCC(F)(F)F)c2)cc1OC 630068884 BOMOYZZBRFRNJD-UHFFFAOYSA-N 445.279 5.609 30 20 IKED O=C(Nc1cccc(CCC(F)(F)F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 674697693 UKZLSNBQFWXOAV-VXGBXAGGSA-N 436.318 5.776 30 20 IKED C[C@@H]1CCN(c2cc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)ccn2)C1 681351999 HBHNHSJQFPLORG-IUODEOHRSA-N 430.455 5.046 30 20 IKED O=C(NC[C@H](c1ccccc1)C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 681612986 UOYNYGWPNVGMNF-RWMBFGLXSA-N 436.318 5.105 30 20 IKED N#CCCCOc1cccc(/C=C(\Br)c2ncc(-c3ccc(F)cc3)o2)c1 726744159 VHOXLQMMRFPILA-UYRXBGFRSA-N 427.273 6.056 30 20 IKED N#CCOc1ccc(CNC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)cc1 727679857 UYQSTMYIWPCWAK-UHFFFAOYSA-N 425.513 5.309 30 20 IKED CCCN(C(=O)NCc1ccc(OCC#N)cc1)[C@H](C)c1ccccc1Br 727942335 GRTJTSOHEAEYKK-MRXNPFEDSA-N 430.346 5.034 30 20 IKED C#Cc1cccc(N(C(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)C(C)C)c1 728247004 OWWOHRZKXDLAMK-UHFFFAOYSA-N 431.557 5.005 30 20 IKED O=C1/C(=C\c2cccc([N+](=O)[O-])c2)CC/C1=C\c1csc(-c2ccc3c(c2)OCO3)n1 728439625 BUXOSHLFGYYRHB-JLZGHWJTSA-N 432.457 5.277 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)cc1 728687187 DPVFRSCPDZVBNX-WNCULLNHSA-N 438.575 5.028 30 20 IKED Cn1c(-c2cccc(OC(=O)CSCc3ccc(C#N)cc3)c2)nc2cc(F)ccc21 729798081 AHEDWGPQGAMQSI-UHFFFAOYSA-N 431.492 5.090 30 20 IKED N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1sc2cc(Br)ccc2c1Cl 729888942 KPTFNQLICNAFCS-CYBMUJFWSA-N 439.762 5.089 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(C3CCC3)C2=O)c1 730463366 WQJKWKMHJUVHBA-BWXASHAWSA-N 441.622 5.307 30 20 IKED N#C[C@H](C(=O)COc1ccccc1OCc1ccccc1)c1nc2cc(F)ccc2s1 730924176 QUZMSGGRPCXAIC-GOSISDBHSA-N 432.476 5.270 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 730948135 ACGBDWCSXUKPPH-LBPRGKRZSA-N 444.563 5.330 30 20 IKED CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 731462747 UYBIIGAEHPRNJK-UHFFFAOYSA-N 440.908 5.050 30 20 IKED Cn1c(NN=C(CC(F)(F)F)c2ccc(Br)cc2)nnc1-c1ccccc1 731925556 JTRJLEFIJUEGTJ-UHFFFAOYSA-N 438.251 5.013 30 20 IKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cnn1-c1ccccc1Cl 732632899 AKHQFGVLVYOWBH-NRFANRHFSA-N 426.907 5.742 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)ns1 732943106 DUMMSWKZFRUOIR-UHFFFAOYSA-N 432.505 5.619 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2CN2CCc3ccccc32)c1 733843807 OHWNWULMYUCIBQ-HSZRJFAPSA-N 440.547 5.252 30 20 IKED Cc1cc(F)ccc1-c1ccc(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1F 735396149 MVUUDFQNFKWEEQ-OAQYLSRUSA-N 428.438 5.935 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1 738896352 OFWLTCCUEAKLKT-RDGATRHJSA-N 441.506 5.608 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H](O)c3c(F)cccc3F)cc2Cl)cc1 741062214 JQBJUWACZWVNOA-LJQANCHMSA-N 443.837 5.137 30 20 IKED C[C@H](C#N)Oc1ccc(/C=C(\Cl)c2ncc(-c3ccccc3Br)o2)cc1 741842703 MOMWUBPGBNYVNQ-CCOVPTLTSA-N 429.701 6.132 30 20 IKED O=C1Nc2c(Cl)cc(Cl)cc2C1=NNc1nc2cc(C(F)(F)F)ccc2s1 743444778 URZZZFAOVGTLFD-UHFFFAOYSA-N 431.226 5.390 30 20 IKED CC(C)(C)OC(=O)NC1CCC(=NNc2nc3cc(C(F)(F)F)ccc3s2)CC1 743445083 CREFNEDPLIZTMS-UHFFFAOYSA-N 428.480 5.550 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C=C(/C)c1ccccc1C(F)(F)F 744028492 IRSWWCINZYLLPY-ZDRDQBANSA-N 428.454 5.581 30 20 IKED C[C@H](OC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccc(C#N)cc1 748677943 WBQHTTHDSNWKMT-ZDUSSCGKSA-N 437.849 5.146 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCC[C@H]3C[C@@H](O)c3cccs3)c2)s1 751097896 RSDVBBRLQPISKF-AZUAARDMSA-N 437.590 5.146 30 20 IKED COc1ccc(CCCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(OC)c1 754533234 PIMMAXFATRHCEB-INIZCTEOSA-N 442.487 5.305 30 20 IKED CC(=NNc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccc2c(c1)CCC(=O)N2C 754714228 SBNIKLNVMQJQLG-UHFFFAOYSA-N 445.523 5.243 30 20 IKED CCCCSc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 755474075 NRZUWDWMPUXPMU-UHFFFAOYSA-N 444.000 5.317 30 20 IKED COc1ccc(-c2csc3ncnc(NN=Cc4cnc([C@H]5CCCO5)s4)c23)cc1 755579384 PQZZGXJRUOURGR-QGZVFWFLSA-N 437.550 5.121 30 20 IKED O=C1CSc2sc(C(=O)/C=C\c3csc(COc4ccc(Cl)cc4)n3)cc2N1 758023853 ABAJIYQUUUZZLL-UTCJRWHESA-N 448.978 5.377 30 20 IKED CC(=NNc1ccc(Br)cc1C)c1ccc(CNC(=O)OC(C)(C)C)nc1C 760249218 FPJCCTTURQBISJ-UHFFFAOYSA-N 447.377 5.322 30 20 IKED C=CCn1c(-c2cnccn2)nn(CN2CCC[C@@H]2c2cccc3ccccc23)c1=S 764913462 MIEFMFGBKPDLFO-JOCHJYFZSA-N 428.565 5.005 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)C[C@@H](O)c1ccc(F)cc1 766021520 UIIIXCGZRAFITF-IQGLISFBSA-N 447.510 5.219 30 20 IKED CCc1c(C)nn(-c2cccc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)c2)c1C 766623485 ROEFSQISZFOGBX-XMMPIXPASA-N 436.515 5.166 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F 769775423 ZWHSLXKSUFOWKR-FCNRDGCESA-N 430.813 5.667 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](CC(F)(F)F)c2ccccc2C)ccc1OC 770613270 XDJZMBCFGURAPP-MJGOQNOKSA-N 449.473 5.178 30 20 IKED Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 776907201 MXDJDVQUMRHSDN-UHFFFAOYSA-N 444.601 5.123 30 20 IKED Cc1ccc(Oc2ccccc2NC(=O)COC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 777176478 BRXXSQUYHNTGIT-UHFFFAOYSA-N 426.472 5.138 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1ccccc1 777311366 IVEOTQBKARRKTO-SJORKVTESA-N 439.512 5.268 30 20 IKED CCOc1cc(/C=C2/CN(C(C)=O)Cc3ccccc3C2=O)ccc1OCc1ccccc1 778517410 LTLWGQCGGPMGPX-IWIPYMOSSA-N 441.527 5.293 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1oc2ccccc2c1CSCc1ccccc1 780160210 QORIHNVPUXXDOU-GOSISDBHSA-N 442.540 6.409 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1oc2ccccc2c1CSC1CCCCC1 780170258 QYKYVWLBVBIZEX-QGZVFWFLSA-N 434.561 6.542 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc2cnccc2c1)C(=O)c1ccccc1 782315872 ZAAGESHRAKZRJD-ITYLOYPMSA-N 434.539 6.265 30 20 IKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 782485345 KJVDBXJPKKHMFY-PPHZAIPVSA-N 435.527 5.367 30 20 IKED C=CCCN(OCc1ccccc1)C(=O)Nc1cc(OC)c(OC)cc1Br 782729225 FGOBZHQRQWQQNO-UHFFFAOYSA-N 435.318 5.008 30 20 IKED Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C\c1cn(C(C)(C)C)nn1 790220446 VJZHFAWYBIXDAC-KTKRTIGZSA-N 431.359 5.124 30 20 IKED Cc1cc(Cl)ccc1O[C@@H](C(=O)[C@@H](C#N)c1cnc2ccccc2n1)c1ccccc1 792108884 PEKNCVQEXUVAFW-UQBPGWFLSA-N 427.891 5.588 30 20 IKED CCc1c(NC(=O)Nc2ccccc2O[C@H](C)C#N)cnn1-c1cccc(C(F)(F)F)c1 792485893 LLUXHUNRBVDRHG-CQSZACIVSA-N 443.429 5.388 30 20 IKED CC(C)(C)c1cc(NC(=O)c2nc(Br)ccc2Br)c(C#N)s1 792544047 VBHYCZBXUKQVEU-UHFFFAOYSA-N 443.164 5.090 30 20 IKED COc1c(C)cc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1Cl 794723562 IYSGOMJFTAOIRS-JXMROGBWSA-N 440.952 6.003 30 20 IKED CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(C)c1 799215095 IGDULWSTMSKWPN-INIZCTEOSA-N 436.364 5.282 30 20 IKED CC[C@@H](Cc1ccccc1Br)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813211758 PPMXTJAEIARILE-SWLSCSKDSA-N 425.248 5.308 30 20 IKED C=C(C)CN1C(=O)/C(=C\c2cccc(NC(=O)c3ccc(Cl)cc3)c2)SC1=S 814290900 RHNZRBYREQBNHW-WOJGMQOQSA-N 428.966 5.370 30 20 IKED COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915862827 PDJCDOOVYOWRGR-DEOSSOPVSA-N 442.515 5.351 30 20 IKED C=CCNC(=S)/C(=C(/O)c1ccc(-c2ccccc2)cc1)[n+]1ccc(C(C)(C)C)cc1 916202420 AIOBLDBKMKMLQX-UHFFFAOYSA-O 429.609 5.925 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1sc2ccccc2c1Cl 916901378 GLKMZKKTCKSVFX-LBPRGKRZSA-N 433.316 5.486 30 20 IKED Cc1ccc(C)c(C(=O)CCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 916908468 MULIQCDGWQWPDI-JOCHJYFZSA-N 440.499 5.406 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2sc(C)nc2-c2cccs2)cc1 916947565 NCMUERRRFLPYBB-KDOFPFPSSA-N 437.590 5.584 30 20 IKED CSc1ccc2cc(CNc3ccccc3Oc3ncccc3C#N)c(Cl)nc2c1 917813299 YZPGTKIDLMEQDS-UHFFFAOYSA-N 432.936 6.281 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccc(OC)c(Cl)c3)n2)cc1 920143939 VCDLSOUWMSEQFD-KRWDZBQOSA-N 426.925 5.290 30 20 IKED C[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccc2nc(O)oc2c1 1534054460 NRVROXQUZYMCMY-CYBMUJFWSA-N 433.851 5.342 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Nc3cccnc3)cc2)CCC1 1788034875 JTKPZQGFFFGCEM-LJQANCHMSA-N 434.584 5.009 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4ncncc4c3)CCC2)cc1 1789454029 LMYZMHMRULMSPU-QHCPKHFHSA-N 440.547 5.146 30 20 IKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3ccc(F)cc3)cc2)CCC1 1790293468 QMZYRGYHEFGIKM-OUKQBFOZSA-N 448.519 5.074 30 20 IKED CC[C@@H](C(=O)NC1(c2ccc(NC(=O)[C@H](C)ON=C(C)C)cc2)CCC1)c1ccccc1 1790565296 YQODMHLKWZBNAR-WMZHIEFXSA-N 435.568 5.115 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)C[C@@H](C)c3ccccc3)cc2)CCC1 1791336605 VGWCIGOBTZROEP-OAQYLSRUSA-N 434.580 5.297 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C4CC5(CCC5)C4)CCC3)cc2)c1 1792124219 PRDKNUNFZUFYJG-LJQANCHMSA-N 441.575 5.642 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc(F)c3F)cc2)CCC1 1792129238 MTHOQZMGRYAGNU-UHFFFAOYSA-N 438.396 5.063 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccnc1 1810503926 WRPQLEVYKVUEIT-LADGPHEKSA-N 433.596 5.010 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)ccc2F)n[nH]1 1814622334 RTMAIAGWOOKMRM-OXQOHEQNSA-N 444.938 5.277 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C(C)=C/c2ccc(C)o2)n[nH]1 1819490914 DPMAFNGWWGHJEN-RYEVTAHJSA-N 438.572 5.399 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2C)CC1 1823926031 LRVDQNVCWKVVMK-XUZZJYLKSA-N 426.576 5.136 30 20 IKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC2CCC(C)(C)CC2)CC1 1824538828 OOIIFKICGYTHFT-GGAORHGYSA-N 436.706 5.167 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3cc[nH]c23)CC1 1828317686 JWDNFPFHCAVXPD-UPVQGACJSA-N 433.596 5.170 30 20 IKED CC(C)=CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828907182 XTVQKDCMEVTRRS-XMMPIXPASA-N 444.736 5.404 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)c(OC)c2)CC1 1830065681 WLLVHCHBIIMQIZ-DEOSSOPVSA-N 438.612 5.005 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)c2cccs2)CC1 1832143486 JCNWGNLLSISMJX-CTNGQTDRSA-N 430.658 5.464 30 20 IKED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nc2scc(-c3cccs3)c2c(=O)n1CC 22190358 MOORWKABMKJISH-CQSZACIVSA-N 447.651 5.112 30 20 IKED O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1cccc(C#Cc2ccccn2)c1 23881929 YFIFPBVPXZIJNQ-UHFFFAOYSA-N 427.891 5.361 30 20 IKED C[C@H](N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccc(C#N)cc1 30449723 XLODJBMYXFDJEU-OYHNWAKOSA-N 434.883 5.150 30 20 IKED Cn1ccnc1COc1ccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 59324348 GCWAOTXJZYXWQM-ZRDIBKRKSA-N 429.432 5.063 30 20 IKED CC(C)N1CCN(c2ccc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)cc2)CC1 61165786 YDMRZHMKPJKSRC-UHFFFAOYSA-N 430.577 5.069 30 20 IKED COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 63641545 FLPZUBTXLTXCOL-INIZCTEOSA-N 446.463 5.015 30 20 IKED CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1cccc(C)c1 97055991 IRBOBZABZXGAFI-LJQANCHMSA-N 433.581 5.009 30 20 IKED COc1cc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)cc2c1OCCO2 210566762 WATQWWADDIDBBK-QGOAFFKASA-N 429.497 5.500 30 20 IKED CCCCn1c(SCc2ccc(-c3ccccc3C#N)cc2)nnc1[C@H](CC)N(C)C 218125385 XAPMVKQDRXXKDY-QHCPKHFHSA-N 433.625 5.922 30 20 IKED N#CCCn1cc(CNCc2ccc(Br)cc2Cl)c(-c2ccccc2)n1 237806481 QPFNOQWQQMVKHU-UHFFFAOYSA-N 429.749 5.169 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC(OCCc3ccccc3)CC2)c1 303060596 LSHKJMASEWUKJC-UHFFFAOYSA-N 440.543 5.001 30 20 IKED Cc1ccccc1CN(Cc1ccccn1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 303644403 RTRUAOLKYRYNMU-UHFFFAOYSA-N 447.538 5.683 30 20 IKED COc1ccccc1C[C@H](C)CC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 409803370 BSCFZSJVEPJQJE-SFHVURJKSA-N 427.504 5.027 30 20 IKED N#Cc1ccc(NC(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)c(Cl)c1 426128474 QAJVQAIKWQUNKS-UHFFFAOYSA-N 445.910 5.446 30 20 IKED Cc1sc(NC(=O)CN2CCC[C@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)c(C#N)c1C 427003917 BQCLUXYUEHERJI-IBGZPJMESA-N 439.972 5.056 30 20 IKED Cc1c(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)sc2ccc(C#N)cc12 428196294 QAOQWELHDAJWIJ-UHFFFAOYSA-N 425.513 5.264 30 20 IKED CCOc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 428199918 PDLKOVJDYNSCEJ-UHFFFAOYSA-N 442.397 5.119 30 20 IKED N#CCCC[C@@H](NC(=O)NCC1(c2cccc(Br)c2)CC1)c1ccccc1 431963477 FJODKSPKEZLUFN-HXUWFJFHSA-N 426.358 5.215 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)N(C)CC(C)(C)C#N 432762994 MKPZZNHCWBIKTG-UHFFFAOYSA-N 432.446 5.280 30 20 IKED CC(C)(C)c1n[nH]c(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1 432841284 ULCIXGPSYJPBCS-GFCCVEGCSA-N 448.333 5.533 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(CN[C@@H](CCCC#N)c2ccccc2)cs1 433022491 VODNOJKGXRWAMC-QFIPXVFZSA-N 438.984 6.006 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1csc(CCc2ccccc2)n1 435134082 FVODGXLHRXGMHE-KRWDZBQOSA-N 436.606 5.644 30 20 IKED CCCc1c(NC(=O)[C@H](C)c2ccc(Br)cc2)cnn1-c1cccc(C#N)c1 440097764 NIPLLIKBXBATBO-OAHLLOKOSA-N 437.341 5.201 30 20 IKED C[C@H]1CN(c2cccc3cnccc23)CCN1C(=O)Nc1ccccc1S[C@H](C)CC#N 446167655 JOPCIZSKBWBRMP-RBUKOAKNSA-N 445.592 5.372 30 20 IKED Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)c1cccc(CC#N)c1 460333154 FXFAATYSBGIFSQ-UHFFFAOYSA-N 426.495 6.050 30 20 IKED Cc1nn(C)c(Sc2ccccc2)c1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 464521565 KFSGVYYSYOFPOB-HNNXBMFYSA-N 437.475 5.115 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NC2(c3cccc(F)c3)CCOCC2)cc1 464551246 SDSUEWAGUYNXPS-UHFFFAOYSA-N 434.442 5.064 30 20 IKED COc1cc([C@@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)cc(OC)c1OC 464919241 SCVURRUSGYTQJX-QGZVFWFLSA-N 446.503 5.176 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 469901970 ODZQKXIAOHMSPW-UHFFFAOYSA-N 435.549 5.098 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H](CC(C)C)c1ccccc1OCC(C)C 470249150 VLRLQAKSCJUTBL-QHCPKHFHSA-N 437.584 5.147 30 20 IKED CC(C)(NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(Cl)c1F 470538827 XEAOSVRVUGRRBJ-UHFFFAOYSA-N 442.922 5.119 30 20 IKED Cc1cccc(C2(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)CCCCC2)c1 470856610 YMKOQJFEWGTBMW-UHFFFAOYSA-N 429.564 5.419 30 20 IKED N#Cc1cccc(-c2nnc(CNc3ccccc3C(=O)Nc3cccc(Cl)c3)o2)c1 471625901 ICPHSZJRJQFYEY-UHFFFAOYSA-N 429.867 5.126 30 20 IKED COc1ccc([C@H](NCc2nnc(-c3cccc(C#N)c3)o2)c2ccccc2Cl)cc1 471647367 PMTVRFPFFGBXAA-QHCPKHFHSA-N 430.895 5.149 30 20 IKED COc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1NC(=O)c1cccc(F)c1 474899915 DSIBHYJAFGRBFB-GOSISDBHSA-N 431.467 5.113 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 476116894 FUWCJQQBXCUPLS-NHCUHLMSSA-N 448.607 5.959 30 20 IKED CCN(c1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cn1)C(C)C 478551565 ZHWRHHSWXGXDMU-HNNXBMFYSA-N 426.492 5.208 30 20 IKED CC(C)CN(C(=O)c1csc(-c2cc(Br)cs2)n1)c1ccc(C#N)cc1 480124671 MKZUBEVHFIEONN-UHFFFAOYSA-N 446.395 5.809 30 20 IKED N#C[C@H](C(=O)c1cccc(Oc2ccc(Cl)cc2)c1)c1nc(-c2ccncc2)cs1 480966556 CKSZEKYBUVVDCX-HXUWFJFHSA-N 431.904 6.141 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1nc(-c2ccccc2)oc1C 481364675 BGQFXLSGBPHZCQ-UHFFFAOYSA-N 432.549 5.607 30 20 IKED COc1ccccc1-c1csc(C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)n1 481573340 XVSIJPDBVQWUCR-UHFFFAOYSA-N 431.561 5.029 30 20 IKED COc1ccc(OC(F)F)c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 482215773 DUKWRDJKWZJXJS-UHFFFAOYSA-N 429.263 5.587 30 20 IKED CN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F 482381924 WUWUNMTWYQOLAN-OAHLLOKOSA-N 426.307 5.429 30 20 IKED Cc1cc(=O)c(-c2noc(-c3cccc(Oc4cccc(Cl)c4C#N)c3)n2)c2n1CCC2 485366349 FORGZEXNADAYNH-UHFFFAOYSA-N 444.878 5.137 30 20 IKED N#CCCN(C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)C12CC3CC(CC(C3)C1)C2 486586786 MSINOMRBQYNULY-UHFFFAOYSA-N 442.485 5.216 30 20 IKED C=CCCC[C@@H](C)NC(=O)N1CCC(c2nc(-c3ccccc3Br)no2)CC1 487552657 PEKJWDWPECSUOJ-OAHLLOKOSA-N 447.377 5.133 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)[C@H](Oc1ccccc1C#N)C(C)C 487808617 NZUSRTBBCZXSIN-XMMPIXPASA-N 427.504 5.161 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)NCCc2cccc(C(F)(F)F)n2)cc1 489381155 VNNIADHZDMYHMS-UHFFFAOYSA-N 427.451 5.096 30 20 IKED C=CCc1ccc(OCC(=O)N(CC)[C@@H](c2ccc(C)cc2)c2cccnc2)c(OC)c1 496534916 LLEGLWWSGSCLLF-MHZLTWQESA-N 430.548 5.144 30 20 IKED O=C(Nc1cccc(F)c1F)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 498953178 AAMHOMLVHPZVJA-UHFFFAOYSA-N 429.263 5.099 30 20 IKED N#Cc1cc(C(=O)N2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)cnc1C(F)(F)F 500548526 HUJRPGXMYSGJAB-MRXNPFEDSA-N 427.348 5.358 30 20 IKED Cc1cc([C@H](C#N)C(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)nc(C)n1 502677297 VECNJUQEUHNTHE-SFHVURJKSA-N 442.371 6.183 30 20 IKED Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 503536794 JTGVSKZJYAYGAW-FQEVSTJZSA-N 449.448 5.252 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)CC2)cc1 503891348 KSJJAAZUNGSAOK-UHFFFAOYSA-N 438.487 5.008 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 504448258 IKUDCHWZXFNPOL-HHHXNRCGSA-N 439.559 5.594 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)c1 506482922 VPMVOEMSLYUGKY-QFIPXVFZSA-N 429.882 5.677 30 20 IKED C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC(C(F)(F)F)CC1 508919465 QQPHFWDMQXMJLC-UHFFFAOYSA-N 442.485 5.489 30 20 IKED C=CCn1c(SCC(=O)NCCC2=CCCC2)nnc1-c1ccc(Cl)cc1Cl 510137128 YLVZRMWAIQIUJE-UHFFFAOYSA-N 437.396 5.147 30 20 IKED Cn1cc(CN[C@@H](c2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)c(C(F)(F)F)n1 512610663 DAFODPWZPHDTNF-QGZVFWFLSA-N 431.355 5.476 30 20 IKED N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)c1nc2ccccc2o1 515597619 SGEDQFYGIVRTTA-KRWDZBQOSA-N 449.875 6.031 30 20 IKED N#Cc1cccnc1Oc1ccccc1NCc1nc(-c2cccc(C(F)(F)F)c2)no1 515668936 FQRQCBMFXWQSPH-UHFFFAOYSA-N 437.381 5.426 30 20 IKED CC(C)c1ccccc1N(C(=O)[C@@H](C)Oc1ccccc1C#N)c1nc2ccccc2s1 518199021 DZNAVKUBJMEOBV-GOSISDBHSA-N 441.556 6.424 30 20 IKED Cc1csc(Nc2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cc2)n1 518413284 NHXTTXKOGYKCKC-UHFFFAOYSA-N 427.489 5.506 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)Nc1ccc(C(C)(C)C#N)cc1 518581160 WQCCKLVWUCNBTH-OAHLLOKOSA-N 438.984 6.456 30 20 IKED N#Cc1cccnc1N1CCN(C(=O)Nc2ccc(Sc3ccccc3Cl)cc2)CC1 519945249 QXRJFTBPQVBOQA-UHFFFAOYSA-N 449.967 5.112 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H](c2ccccc2)c2nccs2)cc1 521238263 XDVPJTGOHNHPFJ-JOCHJYFZSA-N 429.476 5.466 30 20 IKED CCCC(=O)Nc1cccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1C 522579118 QYKJKOIJYFWCQQ-UHFFFAOYSA-N 447.922 6.303 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(COC3CCCCC3)c2)c1 523273391 GMYHGNXYCQRPFE-UHFFFAOYSA-N 430.504 5.832 30 20 IKED CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 523311357 KZHGESUKRGRBIA-RBBKRZOGSA-N 437.971 5.361 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccnc(Oc4ccccc4)c3)s2)cc1 523337967 HOJXQKDUAPYGFF-UHFFFAOYSA-N 445.529 5.142 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccccc3)CC3CCOCC3)cc2)cc1 524258367 QTCKVXJZEYXFHC-UHFFFAOYSA-N 441.531 5.811 30 20 IKED C[C@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@@H](c2ccc(F)cc2)O1 525090830 KZBPNFARNOOXLQ-BVZFJXPGSA-N 430.479 5.286 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@H](CO)c3ccc(C(F)(F)F)cc3)cc2)c1 533996527 KDCZCUGPUUIHJU-OAQYLSRUSA-N 441.409 5.224 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1CCC(F)(F)F 536115581 XCGHHLKVGWJYMY-UHFFFAOYSA-N 438.449 6.193 30 20 IKED FC(F)(F)c1cc([C@H](NCc2cnc3ccccn23)C(F)(F)F)cc(C(F)(F)F)c1 541193278 GDUPZHZIFLUNSG-HNNXBMFYSA-N 441.297 5.765 30 20 IKED O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1ccncc1F 542159510 DZIYXNARTRGERZ-LBPRGKRZSA-N 434.233 5.292 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2cccc(COCCOc3ccccc3)c2)C2CC2)cc1 543278391 UUJXRWICLHEGIP-UHFFFAOYSA-N 441.531 5.350 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@H](c3cccc(F)c3F)C(F)(F)F)cc2)nc1 544059623 FLJDVVRFDCBWDW-LJQANCHMSA-N 433.336 5.057 30 20 IKED C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N(C)Cc1ccc(SC)c(OC)c1 555290578 OLFLZHZCRKVKBY-RXVVDRJESA-N 444.645 5.140 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 562171982 LOFXWNQSMWHYDL-DJJJIMSYSA-N 432.471 5.987 30 20 IKED C[C@@H](CCOCc1ccccc1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 565735912 DMLOUKXLIGLGEZ-FQEVSTJZSA-N 430.573 5.576 30 20 IKED N#CC[C@H](CC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccccc1 577307139 HXMZFHUSWGDZHH-AUSIDOKSSA-N 430.470 5.377 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 578261924 GMYDDSGNZQQADC-UHFFFAOYSA-N 446.507 5.021 30 20 IKED Cc1ccc(C)c(Oc2ccc(CNC(=O)N[C@H](CCCC#N)c3ccccc3)cn2)c1 590064281 CEIFUBOEMMGYEQ-HSZRJFAPSA-N 428.536 5.725 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H](c1ccc(F)cc1)C1CCC1 591032579 CFMPVSDSMZFBIK-CKEIUWERSA-N 440.403 5.876 30 20 IKED C[C@@H](Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F)c1cccc(C#N)c1 600848852 LGZNYCKLFMJYHJ-CQSZACIVSA-N 427.401 6.142 30 20 IKED N#Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)c(C(F)(F)F)c1 602762732 ZKUCNUNEPAGPAJ-OAQYLSRUSA-N 437.377 5.077 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 603532947 IBNJAVJIHCWDNG-KRWDZBQOSA-N 449.507 5.628 30 20 IKED C[C@@H]1CN(c2ccccc2NC(=O)c2ccc(OCc3ccccc3C#N)cc2)C[C@@H](C)O1 603985550 RYXPUBLRPPVKBO-WOJBJXKFSA-N 441.531 5.003 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)s2)cc1 604171394 QMGRRLLATLJNJR-UHFFFAOYSA-N 425.926 5.089 30 20 IKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604522870 MQTJXDCWVDBUJR-PXDATVDWSA-N 442.519 5.377 30 20 IKED C[C@H](CC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F 607464601 XEYXWKKCNPBYLR-WOPDTQHZSA-N 449.357 6.225 30 20 IKED CCn1cc(Br)cc1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 608852854 MYSDKCVFBSMLPR-UHFFFAOYSA-N 440.316 5.124 30 20 IKED Cc1ccccc1CN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C1CC1 608995305 IOHJASNRRAJCBT-UHFFFAOYSA-N 425.532 5.837 30 20 IKED N#CCn1c(C(=O)N2CCC(CCc3cccc(C(F)(F)F)c3)CC2)cc2ccccc21 609164783 FYLDERYSJCPSKR-UHFFFAOYSA-N 439.481 5.669 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(C(F)(F)C(F)(F)F)cc3)CC2)cc1 609254253 MHYRGADYUMUTEF-UHFFFAOYSA-N 439.384 5.288 30 20 IKED N#CCCSc1ccccc1NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 609375953 PRRYLQUHEJUBOM-UHFFFAOYSA-N 447.507 6.016 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cn(Cc2ccccc2)c2ccccc12 609382897 WOMSNAKPNUDHIT-LJQANCHMSA-N 425.557 6.194 30 20 IKED COc1ccc([C@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccc2)cc1 609434941 DPMLZHCEOXTZHS-HOYKHHGWSA-N 431.561 6.001 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NCc3ccc(Oc4ccc(F)cc4)nc3)cc2)nc1 609500834 FQPDFYSLKSMIFJ-UHFFFAOYSA-N 440.434 5.002 30 20 IKED COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)NC[C@H](C)C#N)cc1OC 609525534 NXFGAVPNYJMUGF-HNMKQIAWSA-N 441.531 5.018 30 20 IKED Cn1c(CCNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)nc2c(F)cccc21 609732608 GBYVKJJWUTYVGP-UHFFFAOYSA-N 448.885 5.002 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)[C@H](C)Oc2ccccc2C#N)c1C 609795442 XSJHIUREUNKDOI-AWEZNQCLSA-N 429.307 5.074 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N[C@@H](C)c1cccc(C#N)c1 610363746 ZDBAZAFHHUDVGF-ZDUSSCGKSA-N 441.915 5.464 30 20 IKED CC(C)(C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1F 612994228 GEOUVNULADJZQM-NXEZZACHSA-N 444.347 5.037 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2sc3cc(F)ccc3c2Cl)c1C#N 614971192 KEDOHHNFCJGTKP-UHFFFAOYSA-N 442.928 5.725 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc2c(OC(F)F)cccc2[nH]1 642175586 OXZLSGIUWNFQFO-IUCAKERBSA-N 444.322 5.409 30 20 IKED Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 670068962 CBRUPZYKISGZFH-HUUCEWRRSA-N 435.343 5.401 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1ccc(OC)c(Cl)c1 726905891 MAYGIMSUGXXBHY-UHFFFAOYSA-N 443.769 5.635 30 20 IKED Cc1cc(C)c(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(Cl)c1 728062593 PXULMKJRDNLPBY-GOSISDBHSA-N 433.939 5.847 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(O)c(F)c2)cc(Br)c1OC(F)F 728439154 VOETVQPYMXTUNF-HYXAFXHYSA-N 431.204 5.190 30 20 IKED FC(F)C(F)(F)COc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cn1 729160138 WGMWBYNNDNZIBN-UHFFFAOYSA-N 443.344 5.068 30 20 IKED CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1C 730377294 RUPZNEJEKIZMFI-MRXNPFEDSA-N 448.450 5.065 30 20 IKED C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 730422607 ZNEXWLPUESIFRA-SKDRFNHKSA-N 425.337 6.099 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1sccc1SC(F)F 731078016 NNGDIFZFEIKYIE-NSHDSACASA-N 442.534 5.253 30 20 IKED CCCOc1nc2ccccc2cc1/C=C\C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl 731768253 FOUMUAWFODXYAB-JYBLJSLWSA-N 433.895 5.038 30 20 IKED COC(=O)Nc1cccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 733630127 AIKBHLXSNUXWMO-UHFFFAOYSA-N 430.464 5.268 30 20 IKED C=CCN(C(=O)C1CCCCCCC1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 741524284 HPWLAYDYZCFNHW-UHFFFAOYSA-N 432.611 5.093 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(OC3CCCC3)c(F)c2)ccc1OC 743214495 LOOBHGRDGVGCIH-SFHVURJKSA-N 441.503 5.158 30 20 IKED C[C@@H](Oc1cccc(C(=O)/C=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)c1)C(=O)O 745021809 RQLBKMBVHGDWGQ-ASCRHOAZSA-N 447.434 5.577 30 20 IKED Cc1ccc2c(CCC(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c[nH]c2c1 745947847 PNZBLRNJVAAGAF-SFHVURJKSA-N 427.476 5.071 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccccc3OC)n2)cc1 747020564 BXKJOMRUUXQHHK-KXBFYZLASA-N 433.533 5.293 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2ccc(OCc3ccccn3)cc2)cc1 752476730 BTIVEHSEMYLGET-CLOONOSVSA-N 441.531 5.064 30 20 IKED CCOC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)cc1C#N 752800264 TVCKIAAKQVESSX-QGZVFWFLSA-N 444.491 5.358 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@H](C)c2nc3ccccc3s2)n(C2CCCCC2)c1C 754704687 SVSUQRVVBSLSQD-MRXNPFEDSA-N 435.597 5.381 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 758607335 VTUKVTBFIZKNOT-KURKYZTESA-N 446.617 5.095 30 20 IKED COc1ccc(/C=C2/Cc3c(F)ccc(Br)c3C2=O)cc1OCCCC#N 759092521 WILAPNNZPPVRCP-UVTDQMKNSA-N 430.273 5.102 30 20 IKED C=CCNc1nc(C(=O)O[C@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)cs1 761042551 LDUCJWHHXGCNDC-SECBINFHSA-N 425.297 5.016 30 20 IKED COc1cccc([C@H](C#N)NC(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)c1OC 768151071 DKAHMYYYHKRORN-REWPJTCUSA-N 436.508 5.057 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)cc1 770233127 WPBHKHWMLPFCCZ-UKILVPOCSA-N 431.486 6.379 30 20 IKED N#CCCn1cc(CNc2ccc(N3CCSCC3)c(Cl)c2)c(-c2ccccc2)n1 770543392 BTYXIQXTYWYESS-UHFFFAOYSA-N 438.000 5.282 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(C(=S)Nc3ccccc3C#N)C2)n1 773208293 WZCWZLSHEUOOFG-KRWDZBQOSA-N 434.590 5.267 30 20 IKED COc1ccccc1-c1cc(NC(=O)Cc2ccccc2CC#N)n(-c2ccc(C)cc2)n1 776821132 SKQVRUHMUQDKQY-UHFFFAOYSA-N 436.515 5.104 30 20 IKED O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1sccc1SC(F)F 779459809 UVXDJMOKPBYNAG-LLVKDONJSA-N 433.370 5.698 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCOc2ccc3c(c2)NC(=O)CC3)cc1 782545085 GWBRDJTXBBDYCA-XMMPIXPASA-N 439.515 5.024 30 20 IKED CC[C@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccccc1 787046077 MTCQIKSLIGHJBZ-IRXDYDNUSA-N 429.501 5.146 30 20 IKED CC(C)(C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccc(OC(F)(F)F)cc1 789349680 ZVPGMOQIXCTTCA-CQSZACIVSA-N 437.368 5.484 30 20 IKED C=CCn1c(SCC[C@@H](O)c2ccccc2)nnc1-c1ccc(Br)cc1 795193716 HTYPNXZQNWLDDE-GOSISDBHSA-N 430.371 5.109 30 20 IKED CC[C@H](C#N)Oc1cc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)ccc1OC 796304905 LRZXYNMNOQUXSI-RUZDIDTESA-N 441.575 5.229 30 20 IKED N#CC[C@H](CC(=O)Nc1sc2c(c1C(N)=O)-c1ccccc1CCC2)c1ccccc1 796642396 CIZBSKKCKRJSCE-GOSISDBHSA-N 429.545 5.029 30 20 IKED N#CC[C@H](CC(=O)O[C@@H](c1cccc(Br)c1)C(F)(F)F)c1ccccc1 796757372 UJONBTPGDCBRDM-KDOFPFPSSA-N 426.232 5.683 30 20 IKED N#Cc1ccc(OCCSC2=N/C(=C\c3ccccc3)C(=O)N2c2ccc(F)cc2)cc1 849191713 QZSUHDQWNSEXQM-KQWNVCNZSA-N 443.503 5.253 30 20 IKED N#Cc1ccc(Br)c(CNc2ccc(F)c(NC(=O)C3CCCCC3)c2)c1 864004907 XOKXARHSZKRZHJ-UHFFFAOYSA-N 430.321 5.591 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1sc2cccc(Cl)c2c1Cl 913328732 SMTSOWGAACFQRR-UHFFFAOYSA-N 439.707 5.529 30 20 IKED N#CC(CCOC(=O)CCc1nnc(-c2ccccc2)o1)(c1ccccc1)c1ccccc1 914899269 VIVVGUNTBVLMHZ-UHFFFAOYSA-N 437.499 5.112 30 20 IKED COc1cc(C)c([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC 915350190 KWWMQTIBCNPVJM-FDDCHVKYSA-N 429.520 5.550 30 20 IKED O=C1/C(=C\c2ccsc2)CN(C(=O)c2ccccc2Cl)C/C1=C\c1ccsc1 915990331 MZJGDHGTZPXGDX-BUOZRGFLSA-N 425.962 5.655 30 20 IKED Cc1sc2ncn(N=Cc3ccc(CSC(F)F)o3)c(=O)c2c1-c1ccccc1 916283974 DZMXTJUAAPRFIB-UHFFFAOYSA-N 431.489 5.364 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccc(Br)cc3)s2)c1 916897215 KZNRSESAPUZHQA-KRWDZBQOSA-N 439.334 5.447 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 916925429 JUGZJXPHURTJKT-XSSIKURBSA-N 434.492 5.314 30 20 IKED N#C[C@H](C(=O)CCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 916932113 PPOJAKGNVWRBSB-CYBMUJFWSA-N 430.118 5.580 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C)OC(=O)c1ccc(COc2ccccc2C#N)o1 917328705 UMOXBIJVIHLVKU-QGZVFWFLSA-N 446.503 5.039 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CCC[C@H]2Cc2c(F)cccc2Cl)c1=S 917474023 VEUDVTCNKOBHDS-KRWDZBQOSA-N 443.979 5.119 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccc(-c4ccccc4)o3)n2)cc1 920138387 GSRZWCFAHCGVRT-OAQYLSRUSA-N 428.513 5.888 30 20 IKED CCOc1ccc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1OCC 920985691 UUGURYFUEVYSGT-UHFFFAOYSA-N 433.533 5.113 30 20 IKED Cc1cncc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)c1 1787433255 IRNBULXQOYMPSB-LJQANCHMSA-N 438.531 5.079 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cnc(CCCCC)s4)cc3)CCC2)C1 1791074967 BPCFOPKYHBXNOC-UHFFFAOYSA-N 437.609 5.590 30 20 IKED C[C@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3)CCC2)cc1)c1cccs1 1791815722 JNZLOYOQXZMDSR-KRWDZBQOSA-N 429.545 5.171 30 20 IKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)cc(C(C)C)c1 1800781843 WCAFYPNUDROIOE-KQLYMOGASA-N 447.417 5.037 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(Cl)c2)[C@H]1c1cccnc1 1802494624 DXGIQKRPEVCTMO-IRLDBZIGSA-N 439.987 5.047 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3cccnc23)n[nH]1 1818482610 RXYBBFDUADIQTE-NRFANRHFSA-N 445.567 5.256 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](F)c2ccccc2)CC1 1824855925 XOMKEFMYWZQRFN-XZOQPEGZSA-N 428.592 5.309 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(C(C)(C)C)c2)CC1 1825437271 SCFBUMCSBMPUQR-HSZRJFAPSA-N 439.644 5.314 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2scnc2C2CC2)CC1 1825645798 SYUBJJIUJRIYJH-NHCUHLMSSA-N 441.641 5.022 30 20 IKED CCC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)CCC1 1828475623 MRVRNHOEPCVEGM-NRFANRHFSA-N 442.003 5.025 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 1831373079 MTUQGAIZVLPIHD-PVERMEFCSA-N 443.031 5.275 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3CCCCC3)CC2)c1 1832635184 WKOSTZCQXGDDIV-NBGIEHNGSA-N 435.612 5.127 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cc(Cl)c(Cl)c(Cl)c1)C2 1844205330 VGNWPIRVQRFAIJ-OAHLLOKOSA-N 441.786 5.232 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2ccccc2C)cc1 11166913 RBGPXEXGQXVTOM-UHFFFAOYSA-O 431.625 6.193 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)c2ccccc2)c(Cl)c1 18065106 WQODHJQRYMXHOM-XSFVSMFZSA-N 434.879 5.770 30 20 IKED CCN/C(S)=C(/C(=O)c1ccc(Cl)cc1Cl)[n+]1ccc(Cc2ccccc2)cc1 22686201 GXTFORKUJHEDCJ-UHFFFAOYSA-O 444.407 5.420 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccc3c(c2)CCCC3)cc1 22731031 IPVUOURWWJJBEV-UHFFFAOYSA-O 435.638 5.836 30 20 IKED COc1ccc(OC)c(NC(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 63641531 SYILYRQZVRWOOS-KRWDZBQOSA-N 431.492 5.115 30 20 IKED CC(C)(C)c1noc(CCCC(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)n1 216875450 YLXDPFSBIPSXIG-UHFFFAOYSA-N 436.943 5.448 30 20 IKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccco2)C1=O)Nc1cccc(Cl)c1 254814056 VUACMHXARXTOTL-LJQANCHMSA-N 439.924 5.094 30 20 IKED CC(C)[C@H](C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)S(=O)(=O)C1CCCCC1 303125216 ACFXSJHGOIFMSR-HSZRJFAPSA-N 440.565 5.061 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3cc(F)ccc3OC[C@@H]3CCCO3)c2)c1 303582086 DZMSTKQJLMABME-QHCPKHFHSA-N 446.478 5.086 30 20 IKED CC(=O)c1ccc(Br)cc1OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 428017893 PWDKJJCUDLTRTB-ZDUSSCGKSA-N 447.354 5.063 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(Oc3ccc(F)cc3)cn2)c1-c1ccccc1 428724555 MSWAKMLOEYNDEF-UHFFFAOYSA-N 427.439 5.042 30 20 IKED Cc1cc(Br)c(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1Cl 429084484 XAJRKNSNEPFVJW-UHFFFAOYSA-N 443.732 5.440 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1noc(Cc2ccccc2)n1 431209024 CSKZGUMQTXDOQP-QGZVFWFLSA-N 439.475 5.207 30 20 IKED C[C@H](c1cccc(Br)c1)N1CC(=O)N([C@@H](CCCC#N)c2ccccc2)C1=O 432032802 NGLADIUYHMKNRF-UZLBHIALSA-N 440.341 5.209 30 20 IKED CN(C(=O)Cc1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1)c1ccccc1 432901525 IRRVSIAVFASCTM-RUZDIDTESA-N 440.547 5.449 30 20 IKED CN(Cc1cc(F)cc(F)c1)C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 434213257 FWNFOGUCFRYRAW-UHFFFAOYSA-N 434.315 5.159 30 20 IKED C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1cccc(OCc2ccccc2)c1 434328258 ULQMHYDPQPIZNR-HXUWFJFHSA-N 441.531 5.123 30 20 IKED N#Cc1ccnc(NC(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)c1 436001939 OSGQZEHHRPKRDO-UHFFFAOYSA-N 426.263 5.156 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)Nc1ccc(SC2CCCC2)cc1 437467597 NRQZJAHUAMFLPY-UHFFFAOYSA-N 425.579 5.304 30 20 IKED C[C@@H](N[C@H](C)c1cc(F)c(Cl)cc1Cl)C(=O)N(CCC#N)c1ccc(F)cc1 439539733 DYCOULGTTIGTIQ-CHWSQXEVSA-N 426.294 5.258 30 20 IKED CO[C@H](C)c1cccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 439545897 FJFVVEYAHVVVTD-OPAMFIHVSA-N 447.922 5.280 30 20 IKED CCCc1c(NC(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)cnn1-c1cccc(C#N)c1 439682149 LEPCTCHLKGWDHZ-BXKMTCNYSA-N 431.515 5.451 30 20 IKED CCCc1c(NC(=O)CCc2ncc(-c3ccccc3F)o2)cnn1-c1cccc(C#N)c1 440082454 ULOUBLIUJRRRRD-UHFFFAOYSA-N 443.482 5.062 30 20 IKED CC[C@@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2cccc(C)c2C#N)c2cccs2)cc1 441553929 ITHACNFKYRCZKD-WAIKUNEKSA-N 431.561 5.286 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1cc2ccccc2o1 441602007 HTNVQWREKJSHRP-OAHLLOKOSA-N 443.434 5.052 30 20 IKED N#Cc1cc(NC(=O)Nc2cccc3c2CN(c2nccs2)C3)ccc1OC(F)(F)F 442190928 BKDVOFYEEOUWGP-UHFFFAOYSA-N 445.426 5.078 30 20 IKED COc1ccc(-c2ncc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)s2)cc1 443883800 VPDUXNCHXZAYIN-UHFFFAOYSA-N 443.553 5.770 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c[nH]nc1-c1ccccc1Cl 445846176 FJLXYELUIWRBQX-UHFFFAOYSA-N 429.867 5.350 30 20 IKED N#Cc1ccc(CN2CCCN(C(=O)C[C@H](Cc3ccccc3)c3ccccc3)CC2)cc1 460686152 DWSHDGJULOVTQP-NDEPHWFRSA-N 437.587 5.009 30 20 IKED Cc1cc(C)c(Br)c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1 460778893 NPKPCIRMTFOHBU-UHFFFAOYSA-N 426.339 5.237 30 20 IKED N#Cc1ccc(NC(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1 468976397 MZGRHCQFVYFHJC-QGZVFWFLSA-N 443.347 5.201 30 20 IKED C[C@@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccc(-c2ccncc2)cc1 469992478 POYOHQULIGZAGC-HXUWFJFHSA-N 433.511 5.690 30 20 IKED CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470562957 KMXOQCICEXMFEO-HSZRJFAPSA-N 432.568 5.063 30 20 IKED CC[C@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(C(F)(F)F)c1 470768657 CDZADDHLDYUJJJ-FQEVSTJZSA-N 443.469 5.421 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](OCc2ccccc2F)C1 471280216 QZJHAUDSZQCESZ-HKUYNNGSSA-N 427.545 5.433 30 20 IKED CN(Cc1nc2c(s1)CCCC2)C(=O)c1ccccc1SCc1ccc(C#N)cc1 474916906 DIVNZZHWJONDQY-UHFFFAOYSA-N 433.602 5.458 30 20 IKED Cc1ccccc1-c1nc(C)c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)s1 478536388 FZCGYAXXYKYNJA-LJQANCHMSA-N 440.553 5.912 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)nn1-c1ccc(Cl)cc1 480937816 GUJZXMLDETZWCY-HNNXBMFYSA-N 425.826 5.069 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCCN(c4ccccc4)CC3)cc2F)c1 481740382 KBURBRBJWGQMFX-UHFFFAOYSA-N 444.510 5.021 30 20 IKED N#CCCCCNC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482350506 MIMBUWKSWUCICG-LBPRGKRZSA-N 435.290 5.321 30 20 IKED CCCCn1ncc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1C(C)C 482709459 CERGGJCMOAWXSB-UHFFFAOYSA-N 432.593 6.223 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1cnc2ccccc2n1 483211702 PKMMXTRYZVAXKF-QGZVFWFLSA-N 445.276 5.070 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1cccc(Cl)c1 489630130 PZEMVOIKUVVWHY-HNNXBMFYSA-N 437.956 5.996 30 20 IKED N#C[C@@H](C(=O)c1cc2ccccc2n1CC(F)(F)F)c1nc(-c2ccccc2)cs1 489860709 OLNFHGIFIMEYLZ-INIZCTEOSA-N 425.435 5.817 30 20 IKED CCn1c(NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)nc2cc(C#N)ccc21 490772675 WYBYZJCCASCCOB-UHFFFAOYSA-N 440.429 5.130 30 20 IKED CCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)[C@@H](C)c1ccc(C#N)cc1 497594020 ODVRXZRPSFVQIM-LAUBAEHRSA-N 448.617 5.442 30 20 IKED C=CCN(C(=O)CSCc1ccc(Cl)cc1Cl)c1nc(C(=O)OCC)cs1 501912400 IKWNKRYAGQZELX-UHFFFAOYSA-N 445.393 5.079 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(NC(N)=O)cc1 502501638 MDRUBCLWUKVZHN-VFNWGFHPSA-N 447.926 5.369 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCN([C@@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 505016138 CEDFGLWCSLZJFD-FQEVSTJZSA-N 445.567 5.074 30 20 IKED Cc1nc2cc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)ccc2n1-c1ccccc1 505704746 CLKNWUNVJJMWGW-FQEVSTJZSA-N 435.512 5.343 30 20 IKED N#Cc1ccc(-c2nnc(CN[C@@H](c3ccccc3C(F)(F)F)C(F)(F)F)o2)cc1 505836613 APIKLLWYXVRFMP-INIZCTEOSA-N 426.320 5.020 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 510443881 PBEHZZTXDDUORN-FQEVSTJZSA-N 429.520 5.270 30 20 IKED C=CCOc1cccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)c1 510987355 YTGXOKUJSQHPRE-SANMLTNESA-N 444.531 5.448 30 20 IKED CCCN(C(=O)c1cc(C#N)ccc1Cl)[C@H](c1cccnc1)c1ccc(F)cc1F 511698253 NUDNHALGGMXPHN-JOCHJYFZSA-N 425.866 5.527 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1Cc1nc([C@@H](F)c2ccc(C(F)(F)F)cc2)no1 512018212 WWTBMIWAERQQNZ-HNNXBMFYSA-N 436.331 5.114 30 20 IKED CCOc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 512532010 ZOACPWBSUDPCDP-UHFFFAOYSA-N 444.487 5.359 30 20 IKED N#Cc1ccccc1-c1ccc(CSc2nc(O)c3cnn(-c4ccccc4)c3n2)cc1 514336615 DJFUCBKBKPHCHO-UHFFFAOYSA-N 435.512 5.352 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N(Cc2cccnc2)c2ccc(F)cc2)o1 515701213 LFNVJUJJBRSTKV-UHFFFAOYSA-N 427.435 5.111 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cccc(OCc3cccc(Cl)c3)c2)n1 516796031 DUIHXTYEMCPYRN-GOSISDBHSA-N 440.908 5.042 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 518207908 ZELZNNXOXODYTI-HXUWFJFHSA-N 449.551 5.740 30 20 IKED CC(C)[C@@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)N1CCc2ccccc2C1 518685085 YUROAMUDFIHHMI-AUSIDOKSSA-N 436.625 5.143 30 20 IKED Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 519087558 CGZGPVMUZDLFSC-QFIPXVFZSA-N 443.503 5.020 30 20 IKED CC(C)(C)n1cc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)c(-c2ccccc2Cl)n1 520840635 QVUWTUIIFHHGNJ-OAHLLOKOSA-N 434.952 6.058 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)c1 520916823 FKJZGTRSFPWERX-UHFFFAOYSA-N 428.448 5.111 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)cc2)cc1 521356840 XQKMIFOWUHUCDL-HXUWFJFHSA-N 440.503 5.233 30 20 IKED COc1ccc([C@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1Br 521810262 JVPWMIJUGRGSPI-KBPBESRZSA-N 448.386 5.735 30 20 IKED C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 523048157 DSABDFKBSGWTDC-KRWDZBQOSA-N 447.922 5.032 30 20 IKED Cc1noc2nc(C(C)C)cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c12 523230210 RWTPWMXAVCCTMV-INIZCTEOSA-N 436.924 5.922 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1)C(C)C 523985271 ASGQYGAJFDVXGH-UHFFFAOYSA-N 442.519 5.751 30 20 IKED C=CCN(Cc1ccccc1)C(=O)N[C@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 524069361 ZENJSSBBQMFPPH-XMMPIXPASA-N 430.548 5.385 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1Sc1ccccc1 525155163 LUVPSAXLHCPOEV-UHFFFAOYSA-N 437.524 6.458 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](CO)c2ccc(C(F)(F)F)cc2)cc1 535488694 ICMIARZKYXLJGI-FQEVSTJZSA-N 441.409 5.224 30 20 IKED CC1(CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)CCCCCC1 538484959 ZSYSWQPAINOKCZ-UHFFFAOYSA-N 441.519 5.126 30 20 IKED CN1CC[C@@H](CNC2CCC(C#N)(c3ccccc3)CC2)[C@H]1c1ccc(Cl)c(F)c1 540146777 LZGHPXIRIPGITG-MFMVNDPRSA-N 425.979 5.466 30 20 IKED CCN(Cc1ccc(OC)c(OC)c1)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542085643 MFLIEHRVOQNCHY-LJQANCHMSA-N 443.547 5.535 30 20 IKED O=C(Nc1ccc(O)cc1F)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 542106511 ROHNMKMEGJMLHH-UHFFFAOYSA-N 433.283 5.007 30 20 IKED C[C@@H](NC(=O)C1(c2ccc(F)cc2F)CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 543856789 XRNVKPWRQMJQMX-GOSISDBHSA-N 446.497 5.429 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(-c2ccc[nH]2)cc1)c1ccc(-c2cccc(C#N)c2)cc1 544157128 YOGIYRFXHNEEPO-SFHVURJKSA-N 434.499 5.036 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F 552616874 SENARYULLHARDG-GCJKJVERSA-N 445.535 5.142 30 20 IKED CC(C)Oc1cc(CN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C2CC2)ccn1 555007758 IBECLKKSYOSWIJ-UHFFFAOYSA-N 443.507 5.124 30 20 IKED N#Cc1ccc([C@@H]2Nc3ccc(Cl)cc3C(=O)N2c2ccncc2)c(C(F)(F)F)c1 575794838 CHBFNUAHXQVDLI-LJQANCHMSA-N 428.801 5.397 30 20 IKED COc1cc(SC)ccc1NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 577418571 BVKFHLOUQIIJGT-UHFFFAOYSA-N 429.973 5.187 30 20 IKED CC(C)OC(=O)C[C@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccccc1 579990972 YUXQWDLSRQPUNH-PXNSSMCTSA-N 425.554 5.143 30 20 IKED CCO[C@H](c1noc(-c2cc3ccccc3n2CC#N)n1)c1ccc(F)cc1C(F)(F)F 589155240 FOCKZNSSOQIQEH-IBGZPJMESA-N 444.388 5.499 30 20 IKED C[C@@H](c1ccccc1)n1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1ccccc1 603917382 OIRHKKAVUYYMQB-SFHVURJKSA-N 439.544 5.157 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cnn(-c3cccc(Cl)c3)c2)cc1 604004531 CUZWMJMRYNOCDW-UHFFFAOYSA-N 442.906 5.423 30 20 IKED N#Cc1cccc(COc2cccc(NCC(=O)Nc3cccc(Cl)c3Cl)c2)c1 604006975 HAWUOHBUUFSXJT-UHFFFAOYSA-N 426.303 5.495 30 20 IKED C=CCn1c(SCC(=O)c2cccc(OC(F)F)c2)nnc1-c1ccc(Cl)cc1 606151501 XOPIERPYYXBUDH-UHFFFAOYSA-N 435.883 5.361 30 20 IKED Cc1ccc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)s1 609079913 OCIUKYFZQQBSIZ-UHFFFAOYSA-N 425.941 5.825 30 20 IKED N#C[C@H](NC(=O)c1sc2cccc(Cl)c2c1Cl)c1cccc(C(F)(F)F)c1 609460636 JAAZGLWAHUKSEL-LBPRGKRZSA-N 429.250 6.222 30 20 IKED CN(C)[C@@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1c(F)cccc1F 609683099 YPTMNAGALBTBJE-QFIPXVFZSA-N 436.462 5.053 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cccc(CN3CCOCC3)c2)c1 609725227 PBQXGKSDUSVSFW-UHFFFAOYSA-N 447.922 5.088 30 20 IKED CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 609902493 BODOLISMLMUSJZ-JLTOFOAXSA-N 440.956 5.157 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(F)ccc3SCC(F)F)o2)cc1 609978933 VLXLCGHBWTWHJF-UHFFFAOYSA-N 432.423 5.479 30 20 IKED COc1ccccc1[C@H]1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 610001333 WRMYVLVKMZNZKS-NRFANRHFSA-N 428.557 5.489 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 642282449 SDGJYUHBAHXFHK-OAHLLOKOSA-N 440.450 5.416 30 20 IKED C=CCN(C(=O)CN[C@@H](C)c1ccccn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 679111082 YSLLTAPODVQDNL-AWEZNQCLSA-N 447.391 5.382 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@@H](C#N)c1cnc2ccccc2n1 682995247 RTNUJYZHZLCYML-HNNXBMFYSA-N 438.434 5.571 30 20 IKED C[C@@H]1CCCCN1C(=O)c1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1Cl 726469207 JXLIBYMGJOHKJH-CYBMUJFWSA-N 447.391 5.689 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C)s2)[n+]2ccc(C(C)(C)C)cc2)c1 726572717 LBZWNWZGRPHQKV-UHFFFAOYSA-O 433.622 5.946 30 20 IKED C#Cc1cccc(N(C(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)C(C)C)c1 728246815 JAHCQESTRHFXJS-UHFFFAOYSA-N 430.508 5.171 30 20 IKED C#Cc1cccc(N(Cc2nnc(-c3ccc(Br)o3)o2)Cc2cccs2)c1 728289259 LBTHQQNWFNCAPS-UHFFFAOYSA-N 440.322 5.342 30 20 IKED N#C[C@H](C(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1)c1nc2ccccc2s1 730394624 JJYIVTQOGNZUQZ-OPAMFIHVSA-N 436.508 6.284 30 20 IKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1ccc(Cl)c(Cl)c1 730584629 XAWFUOAGRHWQBU-UHFFFAOYSA-N 448.162 5.642 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc2cc(Cl)ccc2n1C 730953522 IHFBSLRRVHULBE-ZDUSSCGKSA-N 430.986 5.352 30 20 IKED C#CCOc1cccc(NC(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)c1 730975758 MUODDJBAFHRDSQ-UHFFFAOYSA-N 442.899 5.366 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 731332167 FHKDVMOTJWADGM-AWEZNQCLSA-N 430.455 5.538 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)OCc3nnc(-c4ccc(Cl)cc4)o3)cc2)cc1 731986562 CAEWMUCWNKKRPP-UHFFFAOYSA-N 445.862 5.605 30 20 IKED Cc1ccc(COc2cccc(NC(=O)N3CCCN(c4ccccc4C#N)CC3)c2)cc1 732436774 VONABMVYVYAWKS-UHFFFAOYSA-N 440.547 5.190 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2-c2nc3ccccc3s2)c1 733842199 RVFUAFJBVYAGQX-SFHVURJKSA-N 442.544 5.966 30 20 IKED CN(C)Cc1ccc(CN(C)C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 738519912 HQGRKIUSSBKOTO-UHFFFAOYSA-N 433.939 5.338 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)OCC(=O)Nc3cc(Cl)ccc3C#N)s2)c(C)c1 746597547 NXVYZWYZDRQEEE-UHFFFAOYSA-N 439.924 5.056 30 20 IKED CCOc1c(Br)cc(Br)cc1/C=C\C(=O)c1cnn(C(C)C)c1 746686401 ADJLKCJEEMEULU-WAYWQWQTSA-N 442.151 5.284 30 20 IKED COc1cc(/C=C\C(=O)c2c[nH]c3cc(F)ccc23)c([N+](=O)[O-])cc1OCC(F)(F)F 749454070 VMQJUPPYELZFSQ-DJWKRKHSSA-N 438.333 5.061 30 20 IKED COc1ccc(/C=C(\C)C(=O)NC2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F 754106560 ZZHHBFDFGBAUKC-HCMVWYGNSA-N 427.360 5.263 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@H](C)c2csc3ccccc23)n(Cc2ccco2)c1C 754737746 NYHSOGFGLRLLGJ-MRXNPFEDSA-N 432.549 5.122 30 20 IKED N#C[C@@H](C(=O)CCCc1csc2ccccc12)c1nc(O)c2c3c(sc2n1)CCCC3 756222443 DQLAWQFQXCDDGZ-KRWDZBQOSA-N 447.585 5.690 30 20 IKED C#CC[C@@H](NCc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1)c1ccccc1 756994990 AXNSXBMROGXPJS-OAQYLSRUSA-N 443.494 5.701 30 20 IKED N#CCCn1ncc(C(=O)N[C@H]2CCOc3c2ccc(Cl)c3Cl)c1-c1ccccc1 759340690 AGVFBHHEFYLOEE-SFHVURJKSA-N 441.318 5.024 30 20 IKED COc1ccc(C(=O)CC(C)(C)CC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1 760195760 JEIWFLUBRVHWAS-FQEVSTJZSA-N 432.545 5.684 30 20 IKED C=CCOc1ccc(-c2nc(-c3ccc(CNc4ccc5nc(O)[nH]c5c4)cc3)no2)cc1 762174722 IKBXKKNAIDIMRR-UHFFFAOYSA-N 439.475 5.162 30 20 IKED C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl 764306109 QAIPMQCHJJVWEB-SNVBAGLBSA-N 447.303 5.441 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(C)Cc2cc(Cl)ccc2F)c1=S 766089876 RQRMGROMBKBUMP-UHFFFAOYSA-N 432.952 5.158 30 20 IKED COc1ccc(Cn2nc(C)c(/C=C\C(=O)c3ccc(OC(F)F)c(OC)c3)c2C)cc1 767352561 WNICELACDPWQKZ-KHPPLWFESA-N 442.462 5.063 30 20 IKED Cc1cc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)ccc1NC(=O)OC(C)(C)C 772635671 GFPNEEAZKSDCBE-GOSISDBHSA-N 444.329 5.099 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1 773261614 PQZZSGTUHZOAOC-NXCFDTQHSA-N 443.522 5.601 30 20 IKED CN(C)c1ccc(C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)CC2)cc1 775503386 HJJXAFAWLWGACN-UHFFFAOYSA-N 441.535 5.223 30 20 IKED C=CCC[C@H](NCc1cc(=O)oc2cc(NC(C)=O)ccc12)c1ccc(C(F)(F)F)cc1 775553064 KUNHJBNHKLBADG-NRFANRHFSA-N 444.453 5.567 30 20 IKED C=CC[C@@H](C(=O)OCc1csc(N(C(C)=O)c2ccccc2OC)n1)c1ccccc1 778417180 FJUWYJPZDHMNAC-HXUWFJFHSA-N 436.533 5.239 30 20 IKED C=CCn1c(-c2ccco2)nn(CN2CCC(c3nc4cccc(C)c4o3)CC2)c1=S 780504306 NOWOBXRXTIZYJI-UHFFFAOYSA-N 435.553 5.147 30 20 IKED Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)Nc1ccccc1O[C@@H](C)C#N 780672327 BKRGHTDFIKCAKP-MAUKXSAKSA-N 429.952 5.161 30 20 IKED Cc1sc(C(=O)[C@H](C#N)C(=O)NCc2cccc(Cl)c2)cc1-c1ccc(F)cc1 786527617 KIHSIOXIMZRJHK-IBGZPJMESA-N 426.900 5.155 30 20 IKED N#CCC[C@H](NC(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1)c1ccccc1 787293437 NIYNABMLXBRBTE-SANMLTNESA-N 439.559 5.392 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl 789449059 BGACSQSCUGUGIF-OAQYLSRUSA-N 443.035 6.722 30 20 IKED N#C[C@H](C(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1)c1nccc2ccccc12 792095228 VGOPMNSMYCACAZ-NBGIEHNGSA-N 430.479 6.223 30 20 IKED C[C@@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)C(=O)N1c2ccccc2Sc2ccccc21 796039001 KILKQHXHYMYEEI-QGZVFWFLSA-N 442.540 5.863 30 20 IKED Cc1csc([C@H](C#N)C(=O)C(C)(C)c2csc(-c3c(Cl)cccc3Cl)n2)n1 796737390 AJADTGGDGGZRRU-LLVKDONJSA-N 436.389 6.036 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)NCc3ccc(C#N)c(Cl)c3)ccc21 801626580 LREYFEILFWBPED-UHFFFAOYSA-N 440.931 5.221 30 20 IKED C=CCn1c(SCC(=O)O[C@@H](CC)c2ccc(F)cn2)nnc1-c1ccc(Cl)cc1 808946698 HBFVTZKHJBRRDU-SFHVURJKSA-N 446.935 5.105 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cn3c(Br)cnc3s2)cc1 815009753 BUUQSFSHTWNUDG-MRXNPFEDSA-N 437.322 5.066 30 20 IKED Cc1cc(C#N)cnc1C(=O)O[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C 815957538 IAPUPEWUFJLRIT-ZDUSSCGKSA-N 442.338 5.374 30 20 IKED CS(C)(=O)=Nc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 820383754 PTWUXZIWYDYOBT-UHFFFAOYSA-N 439.924 5.615 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](C)C(=O)N1c2ccccc2Sc2ccccc21 821040252 YYRCKSXEKYCQPO-SJORKVTESA-N 444.512 5.087 30 20 IKED COc1ccc(C=NNc2ncc(C(F)(F)F)cc2Cl)cc1OCc1cccnc1 915049718 ZXFFNHAVMNYGJB-UHFFFAOYSA-N 436.821 5.182 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1Cl 916056390 DOGIEEGVDNABSL-IBGZPJMESA-N 436.811 5.064 30 20 IKED Cc1ccc(S(=O)(=O)c2ccc(NN=Cc3cn(CCC#N)c4ccccc34)cc2)cc1 916314200 ZUOLZKCLMDUCCZ-UHFFFAOYSA-N 442.544 5.142 30 20 IKED N#C[C@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)C(=O)NC1CCCCC1 916894915 CIPWGADZCRNWBJ-JOCHJYFZSA-N 431.511 5.064 30 20 IKED COc1cc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1C 916995780 HKYPUBKWZQXENZ-INIZCTEOSA-N 431.344 5.853 30 20 IKED N#Cc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916997865 ZBRNUQXINHXGBH-KRWDZBQOSA-N 426.328 5.798 30 20 IKED COc1cc(C(=O)/C=C\c2c(Cl)nc(Cl)n2-c2ccccc2)cc(OC)c1OC 920065136 KOUATBMVLXCQPJ-KTKRTIGZSA-N 433.291 5.101 30 20 IKED Cc1cc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1Cl 920141498 PHSDSJMBBMNHGG-LJQANCHMSA-N 435.936 5.679 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@@H]4c4ccc(Cl)cc4)cc3)CCC2)CCC1 1789154095 KMAQZGMUXZHTFO-YADHBBJMSA-N 447.966 5.271 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)Cn3cnc4ccccc43)cc2)CCC1 1791508890 KGUUKESOCMEOHD-UHFFFAOYSA-N 444.579 5.163 30 20 IKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)C3CC4(CCC4)C3)cc2)CCC1 1792039307 MZRSMLYUJVAPEN-MDZDMXLPSA-N 448.588 5.201 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc(F)c(F)c(Cl)c4)cc3)CCC2)CCC1 1792161684 ZLKGGXGTYDRYRC-UHFFFAOYSA-N 443.881 5.060 30 20 IKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1ccc(C)cc1 1796465680 HYSGPWSJPOLECP-BKFWDETESA-N 443.591 5.077 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3sccc3s2)[nH]n1 1821920575 IUKZGZXMPAHHQM-HIFRSBDPSA-N 428.583 5.204 30 20 IKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C)c2Cl)[nH]n1 1822396189 NQGTXLPMZMEFCI-GOSISDBHSA-N 447.366 5.134 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3cnccc23)CC1 1823752018 HXDLETDKBWBNET-VWLOTQADSA-N 447.623 5.461 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC)c(F)c2)CC1 1823921104 YPHSJMZLIUKVRU-JOCHJYFZSA-N 444.591 5.060 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3cnccc23)CC1 1828829208 ZDMVYVYSCQNHSH-ZEQKJWHPSA-N 445.607 5.237 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)cc2F)CC1 1830773781 QLRTUTRSICBALQ-NTKDMRAZSA-N 444.591 5.058 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCc3cccc(Cl)c32)CC1 1831377180 VTRSXLSFHDBMBQ-QTGUNEKASA-N 443.031 5.202 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1cc(C)cc(C)c1 10172530 IXXMPOQVNCZERY-UHFFFAOYSA-O 430.018 5.919 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccccc1)=C(/S)Nc1ccc(OC(F)(F)F)cc1 10174085 KNTRAPBWFALCGJ-UHFFFAOYSA-O 445.486 5.486 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2cc(C)n(C)c2C)[n+]2ccc3c(c2)CCCC3)c1 10174647 XIBXEUZFCJJTIN-UHFFFAOYSA-O 446.640 5.422 30 20 IKED Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)n1 10267005 RYJYQBNRFQCZGY-LBPRGKRZSA-N 430.505 5.091 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(\S)Nc2ccc(F)c(Cl)c2)c1 10760834 XROMCDYPQBZDIS-UHFFFAOYSA-O 441.979 6.249 30 20 IKED C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1ccc(F)cc1 22033549 KDEMHXBMINPPOE-UHFFFAOYSA-N 432.318 5.008 30 20 IKED Cc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cnn1-c1cccc(Cl)c1 24784172 KJMDSKQHWLHNOO-UHFFFAOYSA-N 433.924 5.005 30 20 IKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 195635734 RJTQSUREVOVXBO-UHFFFAOYSA-N 440.975 5.129 30 20 IKED CCCN(C(=O)c1cccs1)C1CCN(c2c(C#N)cnc3c(C)cc(F)cc23)CC1 301781474 STWBXBXXDSLQKN-UHFFFAOYSA-N 436.556 5.137 30 20 IKED CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 303671863 PHNZNMKGSORHSC-UHFFFAOYSA-N 441.821 5.493 30 20 IKED C=CCCc1ccccc1NC(=O)CCc1nnc(-c2cc(F)ccc2Br)o1 410363876 KSPFTIMYWUHDFM-UHFFFAOYSA-N 444.304 5.328 30 20 IKED Cc1c(-c2nc(CC(=O)Nc3cccc(C(F)(F)F)c3)no2)sc2ccc(C#N)cc12 426426344 HGJGBXWTUMFOOX-UHFFFAOYSA-N 442.422 5.331 30 20 IKED Cc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC(C)C 427881496 YWHIWOQDGDYHLO-UHFFFAOYSA-N 429.476 5.023 30 20 IKED Cc1ccccc1-c1cc(C(=O)[C@H](C#N)c2nc3c(C)ccnc3[nH]2)c2cnn(C(C)C)c2n1 429597476 LGCABESHQUBETM-IBGZPJMESA-N 449.518 5.057 30 20 IKED CCSc1nccnc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 430517804 AKABKRFGMGDNAB-LBPRGKRZSA-N 435.361 5.509 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OCC(F)(F)F)c3)n2)cc1 432454224 FCIXDPKVJAYUSI-QGZVFWFLSA-N 432.423 5.250 30 20 IKED CCCc1c(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cnn1-c1ccc(C)cc1 433119215 FLGUYBJBIRAFLY-UHFFFAOYSA-N 425.536 5.326 30 20 IKED N#Cc1ccc(Oc2ccc(-c3nc(Cc4cc(Br)cs4)no3)cc2)nc1 436285964 PVPHOPJSAXAVMA-UHFFFAOYSA-N 439.294 5.210 30 20 IKED CCN(CC)C(=O)c1ccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1Cl 437930663 WZYHRXXYRMQIPW-UNMCSNQZSA-N 438.959 5.126 30 20 IKED Cc1nc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)sc1C 437963924 NTLYMGKRFMJIOL-UHFFFAOYSA-N 426.929 5.186 30 20 IKED CCCc1c(NC(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)cnn1-c1cccc(C#N)c1 439677973 LJDSXQUVQPNOMF-REWPJTCUSA-N 449.942 5.002 30 20 IKED COCc1nc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c(-c2ccccc2)s1 441273856 DGKLFWLTOZRYFB-HNNXBMFYSA-N 432.332 5.258 30 20 IKED Cc1cncc(N(Cc2ccc(F)cc2)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1 441403295 CJNFGKRSJPPEBU-UHFFFAOYSA-N 438.462 5.435 30 20 IKED CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 441902658 RLMZQBUPPVGWBB-GOSISDBHSA-N 437.849 5.025 30 20 IKED N#Cc1cc(NC(=O)N2CC[C@@H]([C@H]3CCOC3)C2)ccc1Oc1ccc(C(F)(F)F)cc1 442211228 DIBGKOKHDUYLJI-CVEARBPZSA-N 445.441 5.260 30 20 IKED C=CCC[C@H](NC(=O)N1CCC[C@H](Cc2nccn2C)C1)c1ccc(C(F)(F)F)cc1 442285045 PCKNQLWXCCFHBG-XLIONFOSSA-N 434.506 5.111 30 20 IKED CC(C)(C)Cc1nc(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cc2)no1 442872887 OCSWDUAUAQBOOP-GOSISDBHSA-N 443.532 5.334 30 20 IKED COc1ccc([C@@H]2CCCCCN2C(=O)CNc2ccccc2S[C@H](C)CC#N)cc1 446632247 SGZFSKILCVNZOT-XXBNENTESA-N 437.609 5.645 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C[C@@H]1CCCO1)C1CCCC1 460377187 XHCYTRJXSQUBGG-HJOGWXRNSA-N 436.600 5.027 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2Cc3ccc(O)cc3C3(CC3)C2)cc1F 463743566 HEBYIJPHKOAAEC-UHFFFAOYSA-N 429.451 5.275 30 20 IKED CCn1ncc2c(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)cc(-c3ccccc3)nc21 464410549 MVQRCOXUECLGCQ-QGZVFWFLSA-N 435.409 5.022 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CC[C@@]3(C2)OCc2ccccc23)cc1Cl 471604822 DDXNPMLERZNHCP-VWLOTQADSA-N 430.891 5.276 30 20 IKED CC(C)([C@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1ccc(F)c(F)c1)N1CCCC1 476619292 TZOSRMMJKWOWNI-YADARESESA-N 425.523 5.084 30 20 IKED COCCN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@H](C)c1cccc(C(F)(F)F)c1 477476330 BNDJTXXFAAMLNB-MRXNPFEDSA-N 433.474 5.748 30 20 IKED Cc1cc(C)c(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c(Br)c1 478099588 ZDXXCSFBUPGGQD-UHFFFAOYSA-N 446.320 5.152 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(-c4ccccc4C)nc3C)n2)cc1 478542289 YMOLBAILCCCWRE-LJQANCHMSA-N 445.569 6.049 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@@H](c2ccccc2)c2nccs2)n(C2CCCCC2)c1C 479862960 IVECRRWVBBPSNX-QHCPKHFHSA-N 447.608 5.256 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)cc1 483478142 CDTXAJYODOGMPR-NQIIRXRSSA-N 445.485 5.822 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC(c4ccsc4)CC3)c2)c1 486518016 KBWGIBXSIIAMRP-UHFFFAOYSA-N 430.533 5.284 30 20 IKED Cc1ccc(-n2cnc3c2CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)C3)cc1 486912970 QZGIBDYXZIMXAO-GOSISDBHSA-N 431.565 5.023 30 20 IKED C[C@H](NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 487047854 RNIHIFSVCIRHJX-DFBJGRDBSA-N 438.531 5.099 30 20 IKED C[C@H](c1ccc(C#N)cc1)N1CCC(c2nc(-c3ccccc3Br)no2)CC1 488168628 IJTVHNKMLUZTEH-OAHLLOKOSA-N 437.341 5.311 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)c1c(F)cc(F)cc1F 489634668 ZMTIBOWLXMFTBI-AWEZNQCLSA-N 447.482 5.132 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)Nc1cccc2ccccc12 489681802 PHJKUVBREYDCBZ-GOSISDBHSA-N 444.560 5.316 30 20 IKED COc1ccc(C#N)cc1NC(=O)[C@H](Oc1ccccc1Br)c1ccccc1 494130704 DMZNJROAAQEKJW-OAQYLSRUSA-N 437.293 5.088 30 20 IKED C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1 500352306 WLRZHRXVXGLWQE-LSUGYDDCSA-N 438.955 5.406 30 20 IKED Cc1nc(-c2cc3c(s2)CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C3)cs1 500779761 KBDKNWGWCXJIDR-UHFFFAOYSA-N 445.617 5.516 30 20 IKED Cc1nc(-c2ccccc2)c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)s1 501425073 QHVYPUBPPZLNJG-UHFFFAOYSA-N 439.540 6.016 30 20 IKED CC(C)CC(=O)Nc1ccc(NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1 502313574 NNXNEAZPCCHSPL-UHFFFAOYSA-N 434.418 5.128 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCCc3coc(-c4ccc(F)cc4)n3)cc2)cc1 503288900 FSKSCTCZEWPGSN-UHFFFAOYSA-N 442.450 5.509 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)CC2)cc1 503646365 YYSHCLLLONMLOH-UHFFFAOYSA-N 447.498 5.003 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3CCSc4ccccc43)c2)cc1 504091662 ZHPKIDKMXVQHDT-QHCPKHFHSA-N 429.545 5.690 30 20 IKED CC[C@H](C)n1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1-c1ccccc1 504343970 SIPHQEXPOUNYCC-ZDUSSCGKSA-N 425.583 5.197 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)CCSc3ccc(Br)cn3)c2C#N)C1 505634129 LNDYRCUTXPDWTM-NSHDSACASA-N 436.400 5.023 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1 506761065 NUEIRQPIKUWORH-UHFFFAOYSA-N 445.922 5.317 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(CCc1cccc(F)c1)C1CC1 506772342 BISACNJGCWMWBD-UHFFFAOYSA-N 443.522 5.824 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)cc1 507825113 LBLQAYMQJMXZJT-KRWDZBQOSA-N 449.938 6.069 30 20 IKED COCCC[C@@H](c1ccc(Cl)cc1)c1noc(CSCc2ccc(C#N)cc2)n1 508667642 UJOZNPRLILNBMA-FQEVSTJZSA-N 427.957 5.587 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@H]([C@H]2CCOC2)C1 508839675 HAIWAWXNBFUHMG-VJBMBRPKSA-N 432.568 5.010 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccccc3)C2)cc1Cl 510025407 DDMJRUUOFGZESO-UPVQGACJSA-N 431.923 5.601 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3nnn(-c4ccccc4Cl)c3C)n2)cc1 510590878 KLBSZCWTNMXKRX-INIZCTEOSA-N 433.924 5.151 30 20 IKED CCN(CC)[C@@H](C(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(C(F)(F)F)c1 510864142 FKVPAIZDHACYED-IIBYNOLFSA-N 449.542 5.979 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCSCc2ccccc2F)cc1 511342293 QOUFNECJZFGGDM-UHFFFAOYSA-N 449.551 5.526 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1nc(-c2ccccc2)cs1 512949144 UHHOYHXSMQZOLW-SFHVURJKSA-N 431.904 6.141 30 20 IKED C[C@H](Sc1nc2c(cc1C#N)CCCC2)c1nc(O)c2c(-c3ccccc3)csc2n1 514736810 CYLQZMHEFXWUPQ-AWEZNQCLSA-N 444.585 6.063 30 20 IKED CC(C)Cn1c(-c2cc(-c3ccccc3)nc3ccccc23)nnc1N1CCC(C#N)CC1 515075823 SLIYPXRFNYHJLR-UHFFFAOYSA-N 436.563 5.556 30 20 IKED CCO[C@H](c1noc(-c2ccc(C(F)(F)F)nc2)n1)c1ccc(F)cc1C(F)(F)F 517056712 GGFJTKFFMKYXLH-AWEZNQCLSA-N 435.299 5.434 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)cc1 517346794 QZLHOIXGBBDHNW-UHFFFAOYSA-N 443.478 5.414 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCCSCc3ccccc3C#N)cc2)c1 517529189 OKQSQWDBPMCWIP-UHFFFAOYSA-N 428.517 5.277 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 517605098 CFQCUIMSHGBGLY-KRWDZBQOSA-N 434.323 5.483 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(OCc4cscn4)c3)cc2)c1 518229107 CAXTUDAMCNHKBL-UHFFFAOYSA-N 427.485 5.638 30 20 IKED CC(=O)c1cccc(O[C@H](C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 520117007 PPWHJUGOWPTRNU-UZUQRXQVSA-N 432.907 5.604 30 20 IKED CSc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1NC(C)=O 520427729 WZYINOBHYMQKJV-CYBMUJFWSA-N 443.500 5.259 30 20 IKED CC(C)c1ccccc1OCCNC(=O)c1ccccc1SCc1ccc(C#N)cc1 521149684 OQRWHIWDTDXEPT-UHFFFAOYSA-N 430.573 5.783 30 20 IKED C=CCOc1ccccc1C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 522582819 UGZOOXMGFZYKLC-UHFFFAOYSA-N 442.302 5.458 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3ccc(COC4CCOCC4)cc3)c2)c1 532783565 FNPFSEMYZZJAER-UHFFFAOYSA-N 442.559 5.123 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H](CO)c3ccc(C(F)(F)F)cc3)c2)cc1 534770245 ZISLSONMLTYCJI-NRFANRHFSA-N 441.409 5.224 30 20 IKED CC(C)[C@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1nc(C2CC2)no1 534874503 GTLMXEFTOUSNIE-FQEVSTJZSA-N 436.899 5.391 30 20 IKED C=CCn1c(SCc2ncc(-c3ccccc3C)o2)nc2sc3c(c2c1=O)CCC3 535263110 WWAWTIFBTLXLEG-UHFFFAOYSA-N 435.574 5.388 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1 537135063 CHMXFGNKBZFINI-UHFFFAOYSA-N 439.537 5.162 30 20 IKED Cc1cc(Cl)ccc1Oc1ccc(C[S@](=O)CCCC2(C#N)CCOCC2)cc1 542857713 CHEYGJMCZXZONJ-GDLZYMKVSA-N 431.985 5.790 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 544309660 OUMUAKIUXAZBMI-UHFFFAOYSA-N 447.457 5.014 30 20 IKED N#CCCn1cc(/C=C\c2nc(-c3cccc(NC(=O)C4CCC4)c3)no2)c2ccccc21 544948161 JWMNGMALHGHHLV-SEYXRHQNSA-N 437.503 5.514 30 20 IKED C=CCN(C(=O)c1ccc(C(C)C)s1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 545448015 MSKQYKBINQUCMC-UHFFFAOYSA-N 446.619 5.231 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1c(F)cncc1F 554138058 KMLZXLBJRVTKLX-GUYCJALGSA-N 426.854 5.551 30 20 IKED NC(=O)c1ccc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(OCC(F)F)c1 558571091 GCSKVOYOMIQSMX-UHFFFAOYSA-N 442.306 5.079 30 20 IKED Cc1ccccc1-c1ccc(CN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)C(C)C)s1 577029745 QCQXZJCETRTYCJ-UHFFFAOYSA-N 435.524 5.110 30 20 IKED COc1ccc([C@@H](CCC#N)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1 577143433 FNCPKWBRPVXGJI-JOCHJYFZSA-N 432.486 5.397 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 581342102 WJPNMCUFMFHPRI-UKRRQHHQSA-N 448.375 5.379 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1nc2ccccc2cc1Br 582382361 FDXZWGWHCUQMAI-CYBMUJFWSA-N 426.339 5.644 30 20 IKED CCCN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H](CC)c1ccccc1 603618747 IWPRUDFYEKYXLC-JOCHJYFZSA-N 446.551 5.413 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C3(c4ccccc4)CCOCC3)cc2Cl)cc1 604027242 PVTUSTONZOVAGD-UHFFFAOYSA-N 432.907 5.691 30 20 IKED C=CCn1c(SCC(=O)Nc2nc3ccsc3s2)nnc1-c1ccc(Cl)cc1 605116600 OPJWRSXPBNZRBJ-UHFFFAOYSA-N 447.998 5.187 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 609377134 PKNCYDNRKDTTGP-IAGOWNOFSA-N 436.606 5.403 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OC(C)C 609435552 XBLIAKDAQVGOPT-IAGOWNOFSA-N 427.570 5.759 30 20 IKED C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 609928101 VOFCTHIQXLEFCK-QGZVFWFLSA-N 446.938 5.559 30 20 IKED CCCOc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OCC 613404906 QIKBBTUTNNRQKN-HNNXBMFYSA-N 448.466 5.993 30 20 IKED CCOC(=O)CCC1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 614179214 JJGMAYZEGKNEHW-UHFFFAOYSA-N 439.487 5.077 30 20 IKED FC(F)(F)c1cccc(-c2noc(CN3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)n2)c1 618451602 OMOYSBJHIKDAFH-RYUDHWBXSA-N 447.301 5.318 30 20 IKED C[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1OC(F)F 618552100 CAGVMFCTKQJULE-MXWKQRLJSA-N 434.327 5.121 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@H]1C[C@H](c2ccc(F)cc2)C1 644968054 ZHXOGLCFUOHKPO-RGCMKSIDSA-N 426.376 5.280 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC[C@H](OCC)C1 670227746 YDOSRGIMCOPUAK-QFIPXVFZSA-N 432.568 5.106 30 20 IKED Fc1cc(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OCC(F)(F)F 680471430 CQCDOJKBRPBMBW-PHIMTYICSA-N 427.282 5.330 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2F)c1 728187047 QHSRQPGBINPOTE-UHFFFAOYSA-N 425.803 5.090 30 20 IKED CCOCCCn1c(NN=C(C)c2ccc(SC(C)C)cc2)nc2ccccc2c1=O 728426084 TVUKIDZDXCLQED-UHFFFAOYSA-N 438.597 5.160 30 20 IKED Cc1cccc(Nc2nn(CN3CCC(Oc4ccc(C#N)cc4)CC3)c(=S)s2)c1 728902898 DNGSQODTMDLAMQ-UHFFFAOYSA-N 437.594 5.099 30 20 IKED C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(N2CCOCC2)cc1 729571559 ZCVQQVMZTLIEON-IBGZPJMESA-N 442.519 5.070 30 20 IKED Cc1ccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c(Br)c1 730417578 QFOINXGZJNDCET-DGCLKSJQSA-N 433.302 5.150 30 20 IKED COc1cc(/C=C2/CCc3nc(-c4ccccc4F)sc3C2=O)cc(OC)c1OC 731938055 OEXXGGMUNRBNHN-UVTDQMKNSA-N 425.481 5.188 30 20 IKED C#CCN(C(=O)Nc1ccc2[nH]c(C)cc2c1)[C@H]1CCOc2ccc(Br)cc21 733631570 JVDJQAXQMLYILE-FQEVSTJZSA-N 438.325 5.230 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)c1 735173548 IAXPRIVMNABMRQ-OAQYLSRUSA-N 445.567 5.481 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2C[C@@H](c3ccccc3C)C[C@H]2C)c1=S 738053162 AHTIKNBZWZHGPQ-UXHICEINSA-N 434.609 5.420 30 20 IKED N#CCSc1ccccc1C(=O)NCC1(c2cccc(Br)c2)CCCCC1 742797976 DTXUCVZPFAWAMN-UHFFFAOYSA-N 443.410 5.697 30 20 IKED C=CCn1c(-c2ccc(F)cc2)nn(CN(C)Cc2csc([C@@H](C)OCC)n2)c1=S 743373081 JHKNPPRWOSGTAS-OAHLLOKOSA-N 447.605 5.050 30 20 IKED Clc1ccc(CSc2nncn2N=Cc2cc(Cl)ccc2Br)cc1 743431056 TYASMQGWZRCNKS-UHFFFAOYSA-N 442.169 5.522 30 20 IKED C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccc(Br)s1 744062124 PXZPKAQATPUQKP-RISCZKNCSA-N 442.363 5.486 30 20 IKED Cc1nc(CSc2ccc(C(=O)OCc3nnc(-c4ccc(C#N)cc4)o3)cc2)cs1 744636649 HAJYRYFITSARBQ-UHFFFAOYSA-N 448.529 5.023 30 20 IKED C[C@@H](OC(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl)C(=O)Nc1ccccc1C#N 744785062 WULBWDWSAVVHMR-SECBINFHSA-N 431.197 5.068 30 20 IKED CC(=O)Nc1cccc(NC(=S)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1 745724477 RMULEPYFULNRHL-UHFFFAOYSA-N 432.524 5.368 30 20 IKED CC1=C(C(=O)Nc2ccccc2C(C)C)[C@H](c2ccc(C#N)s2)NC(=O)N1CC1CC1 749013170 YYXAGSTVGCJRQM-QFIPXVFZSA-N 434.565 5.132 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1 750691644 UOGXHUOQIJQUOD-XPNTWCBSSA-N 435.449 6.038 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)cc1C#N 752306171 VKARMJIXKGJKON-INIZCTEOSA-N 429.480 5.071 30 20 IKED CC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H](O)c1c(F)cccc1F 752637126 ORPDSFLILHDWHI-WNOPAQSVSA-N 435.474 5.254 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 754473922 DFCUEFYZPSFSJY-UNMCSNQZSA-N 434.540 5.646 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 759220225 CIZBEHAVYINRRH-GJZGRUSLSA-N 433.961 5.306 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3ccc(F)cc3OCC#N)cc(-c3cccs3)nc21 760796017 MLYASYXMLUJALF-UHFFFAOYSA-N 435.484 5.034 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CCOc3c(C)cc(C)cc3C2=O)cs1 763115990 IHUMVIDNEAJGEL-ATVHPVEESA-N 436.508 5.632 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(Br)c(F)c1 763125807 STYMJUSWCCBXHT-UHFFFAOYSA-N 442.313 5.217 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccc(C2SCCS2)cc1 764753170 HDYQSESZLWBVDK-UHFFFAOYSA-N 440.377 5.493 30 20 IKED Cc1csc(SCc2ccccc2C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)n1 767982601 PURCCTDHLYOLRO-UHFFFAOYSA-N 431.586 5.545 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(N(CC)Cc2ccccc2)cc1 770100177 NEOWPKZLWVFOPA-HSZRJFAPSA-N 441.531 5.073 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccnc2Br)cc1 770274328 GZZKJRWWHQDSDS-UHFFFAOYSA-N 439.288 5.089 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 772117812 MMVYYQKQUXLSCA-IEBWSBKVSA-N 439.581 5.185 30 20 IKED C[C@@H](N[C@H](c1cccc(F)c1)c1cccc(Br)c1)c1ccc(OCC#N)cc1 776165359 ZLWWSCCWPNOBRM-MWTRTKDXSA-N 439.328 5.931 30 20 IKED COc1ccc(C[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 781448007 KXHWCMCRYJUWEW-RDTXWAMCSA-N 440.952 5.536 30 20 IKED C=CCN(C(=O)C(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1)C(C)C 783395457 HBOCMDFWMUUCIZ-UHFFFAOYSA-N 441.890 5.181 30 20 IKED N#Cc1cccc(COc2ccc(NCc3ccc(Cl)cc3-n3cncn3)cc2F)c1 793062690 TVMRWBXZSOADAT-UHFFFAOYSA-N 433.874 5.123 30 20 IKED CCCc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(CCC)cc2)cc1 797799129 HUKFUWKACCXXTL-UHFFFAOYSA-O 442.608 6.074 30 20 IKED CC(C)(C)OC(=O)Nc1ncc(CNc2ncc(Cc3ccc(C#N)cc3)s2)s1 812346599 ZEKSMXISOVNYLY-UHFFFAOYSA-N 427.555 5.021 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2F)cs1 814191607 RPZQIOVRDRMGDO-RUDMXATFSA-N 445.859 5.425 30 20 IKED Cc1c(C(=O)N2[C@H]3CCC[C@H]2CC(NC(=O)OC(C)(C)C)C3)sc2ccc(C#N)cc12 815837738 RQYZLFWDNOHWCQ-ROUUACIJSA-N 439.581 5.132 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 815907587 FDTIALUFFBHVHM-AWEZNQCLSA-N 432.785 5.580 30 20 IKED FC(F)C(F)(F)COc1ccc(-c2nc(-c3ccsc3C(F)(F)F)no2)cn1 904926453 UMSYOISHVRSTQT-UHFFFAOYSA-N 427.301 5.158 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(SC(F)(F)F)cc1 914743740 HZZLYXWJFVVDFO-URLYPYJESA-N 439.343 5.938 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2I)cc1 915086075 HBQLUYAZYZNUMI-LJQANCHMSA-N 438.268 5.199 30 20 IKED C[C@H](Oc1ccc2c(c1)CCC2)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916906131 CCPDEFQRZABIDA-FDDCHVKYSA-N 440.499 5.082 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 916928229 WPTFYDOHKYHEFW-MRXNPFEDSA-N 426.303 5.315 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(-n4nc(C)cc4C)cc3)n2)cc1 916974945 SENXIMUPYLRRTP-QFIPXVFZSA-N 426.545 5.340 30 20 IKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2Cl)o1)c1nc2cc(Cl)ccc2s1 917044116 PZZIYNRHXJOXJX-CQSZACIVSA-N 442.327 6.067 30 20 IKED COc1ccc(C(=O)/C=C\c2cc(Br)c(OC(F)F)c(OC)c2)cc1F 917143079 GUWNDVRWOJBFCI-HYXAFXHYSA-N 431.204 5.103 30 20 IKED N#C[C@H](C(=O)Cc1ccc2c(c1)OCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 919667559 YOACCYVWNKSUGG-CQSZACIVSA-N 431.300 5.265 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)c(Cl)c3)n2)cc1 920142946 XRUFHWQCURLFJW-OAHLLOKOSA-N 428.300 5.244 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCn3c4ccccc4c4ccccc43)n2)cc1 920143248 VCNXDKPREMXVHB-JOCHJYFZSA-N 446.535 6.056 30 20 IKED COc1ccccc1-c1ccc(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@@H](C)CC3)c(O)n1 1527165262 SCOSETZIAJUCGE-UONOGXRCSA-N 433.533 5.334 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4[nH]ncc34)CCC2)cc1 1785841971 ISWLOWZGMAKJJE-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)nc3Cl)CCC2)cc1 1791728892 DSLHNNLGVFTZHL-UHFFFAOYSA-N 444.362 5.330 30 20 IKED N#CCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)c(Cl)c(Cl)c3)cc2)CCC1 1792179644 NTTCIYUUJGXNTI-UHFFFAOYSA-N 436.726 5.308 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C23CCC(CC2)CC3)[C@@H]1c1cccnc1 1802501109 HCMLQZYBWDDIAS-GOKFZAQWSA-N 437.628 5.050 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc(CCCCC)s2)[nH]n1 1821925002 KXEXHSHTUGHKFK-SJLPKXTDSA-N 443.617 5.117 30 20 IKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](C)c3ccc(Cl)cc3)CC2)C1 1823971765 LTQOJFFQFYBJQA-WZONZLPQSA-N 429.004 5.029 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3sccc3[nH]2)CC1 1828827973 ARZAELGACYWDGD-DENIHFKCSA-N 439.625 5.231 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)c2cccs2)CC1 1828829712 MJWZTXAYILGAMR-NNWRFLSQSA-N 428.642 5.240 30 20 IKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)cc1Cl 1829950703 LJKJOCJJLGZQNU-DEOSSOPVSA-N 449.982 5.067 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccncc23)CC1 1830862006 MWFHWRRPUAOGKQ-BVAGGSTKSA-N 445.607 5.237 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 1832029859 TUDSTMUFNKCTDZ-JOCHJYFZSA-N 448.529 5.132 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cc3oc(-c4ccccc4)cc3[nH]1)C2 1844203676 CWYDFSSOZNCWCZ-FQEVSTJZSA-N 443.547 5.013 30 20 IKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(F)cc2)c1 3598517 PDALETIFMMOVNZ-UHFFFAOYSA-N 444.915 5.113 30 20 IKED C[C@@H](C#N)SC1=N/C(=C\c2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1Cl 9456799 XTUXCTLOBHSJSR-GPILYODUSA-N 436.751 6.036 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nn(-c2ccccc2)c(=S)s1 23500138 NUEGPARBILWOFQ-AWEZNQCLSA-N 433.649 5.420 30 20 IKED COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCCCCC#N)cc1OC 25394590 QDFQJGSOSABDBK-KNTRCKAVSA-N 442.515 5.589 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)CCCc3ncc(-c4ccccc4)o3)c2)c1 31776447 GYMIEBQOHIVBNR-UHFFFAOYSA-N 437.499 5.754 30 20 IKED N#Cc1ccc(N2CCN(C(=O)Nc3ccc(Sc4ccc(Cl)cc4)cc3)CC2)nc1 57766276 HYBXPCKZMVWFBH-UHFFFAOYSA-N 449.967 5.112 30 20 IKED Cc1cc(C)n(Cc2ccc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2)n1 61080580 SHSZTRZVXRRINN-SFHVURJKSA-N 448.498 5.440 30 20 IKED C=CCN(C(=O)c1cc(C2CC2)nc2c1c(C)nn2C)c1nc(-c2ccccc2)cs1 105591767 HTKZVZAULIJYJY-UHFFFAOYSA-N 429.549 5.110 30 20 IKED O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)c1cccc(N2CCOC2=O)c1 195731367 WYGGKIIMFFLIIO-CSKARUKUSA-N 438.277 5.562 30 20 IKED C=CCn1c(SCc2csc(COc3ccc(C)cc3)n2)nc2ccccc2c1=O 248003755 FEUHDUQILGUTEU-UHFFFAOYSA-N 435.574 5.219 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 261419053 CXNRNAXYXCUHTQ-CQSZACIVSA-N 430.455 5.395 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N(CCc2cccc(F)c2)C2CC2)cc1 303500852 ALUVPXVBXDAWRD-UHFFFAOYSA-N 443.522 5.710 30 20 IKED N#CCCSc1ccccc1NC(=O)c1ccc(Br)c(C(F)(F)F)c1 425933370 YZUBKCPMQBAKMO-UHFFFAOYSA-N 429.261 5.726 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(C3CCC3)cc2)cc1Cl 427713510 PZYMUJMUXUVPFC-QHCPKHFHSA-N 443.934 5.840 30 20 IKED Cc1noc(C[C@@H](NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c2ccccc2)n1 429750028 GLOQHTGWLPOKJX-HSZRJFAPSA-N 439.475 5.148 30 20 IKED N#CCCC[C@H](NC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)c1ccccc1 432692565 JRHGINQXHBKQAK-QHCPKHFHSA-N 427.508 5.887 30 20 IKED COc1ccc(C(=O)CCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1F 434204704 WZIHYWUURJXMPW-UHFFFAOYSA-N 446.478 5.081 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 438041272 WNHRZIHEUWREBL-SFHVURJKSA-N 435.593 5.850 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nc(C2CCCCC2)no1 438050771 FERYKZDXCNAUBX-MRXNPFEDSA-N 431.496 5.664 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccc(N3CCCCC3)nc2)cc1F 438652028 UGUBDFPJQMBKJP-UHFFFAOYSA-N 445.498 5.197 30 20 IKED CCCc1c(NC(=O)N[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)cnn1-c1cccc(C#N)c1 439677748 KAPKPWIFNDVOFE-RCZVLFRGSA-N 443.551 5.047 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1cccc2cccnc12)c1ccc(C(F)(F)F)cc1 442030362 LAJSUABCZBHDOE-SFHVURJKSA-N 427.426 5.016 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)c1nc2ccccc2n1C(F)F 442672807 RKTYXZCCNBBUNI-OAHLLOKOSA-N 441.359 6.006 30 20 IKED N#C[C@@H](C(=O)c1ccc(F)c(Br)c1)c1nc(-c2ccc(Cl)cc2)cs1 442676227 AXBJGPFROMGLKJ-ZDUSSCGKSA-N 435.705 5.855 30 20 IKED C=CCSc1ccccc1NC(=O)CN1CCC[C@H](c2nc3ccc(F)cc3o2)C1 443651013 JNMSBFZIEGBYNO-INIZCTEOSA-N 425.529 5.063 30 20 IKED CC(C)(C)c1csc(C2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)CC2)n1 444259575 NUYBCQSADQBJKK-UHFFFAOYSA-N 434.609 5.719 30 20 IKED C[C@@H](c1ccccc1)N1CC(=O)N(c2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1=O 445994313 WGWHCQOZHJUSBV-INIZCTEOSA-N 431.879 5.534 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(c2ccc(O)cc2)CC1 460781770 GWUNWQNZHVTOLJ-SFHVURJKSA-N 436.531 5.223 30 20 IKED C=CCn1c(Sc2cc(C(F)(F)F)nc(-c3ccncc3)n2)nnc1-c1ccccc1 461462238 DZSYYPPBGHTIRS-UHFFFAOYSA-N 440.454 5.153 30 20 IKED COc1ccccc1-c1noc([C@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)n1 462756372 OKPHHJAMMHWKGZ-SFHVURJKSA-N 440.503 5.047 30 20 IKED COc1ccc(-c2csc(NC(=O)CSc3ccc(C#N)cc3Cl)n2)c(OC)c1 465387457 HVAQEBXGYGFTPJ-UHFFFAOYSA-N 445.953 5.083 30 20 IKED N#CCCN(CC(F)(F)F)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466862513 JWKDEZMUWYZSDV-UHFFFAOYSA-N 443.834 5.318 30 20 IKED N#Cc1cc(C(F)(F)F)ccc1NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 467794281 FTDIVUJIXDYLLA-UHFFFAOYSA-N 426.442 5.309 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 471835864 RCJPBWYJODHNBH-UHFFFAOYSA-N 444.579 5.094 30 20 IKED Cc1cc(C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)c(C(F)(F)F)o1 472375715 UXOWUAIDAWGOHM-UHFFFAOYSA-N 427.251 5.390 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[C@H](C(F)(F)F)C1 474262122 DLIOBPOOPPWVKI-KWCYVHTRSA-N 435.330 6.184 30 20 IKED Cc1cc(SC2CCCCC2)ccc1NC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 475240935 MEYCRLFXBKVGJX-DEOSSOPVSA-N 447.604 5.421 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 475571299 LGQLGMGXEFRMCI-UHFFFAOYSA-N 440.547 5.780 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(NC(=O)N(C)C)cc1 475691550 CXAYAPCUSISRLH-UHFFFAOYSA-N 443.507 5.074 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 476155949 QFAGJMKGKCOSMY-UHFFFAOYSA-N 445.540 5.168 30 20 IKED COc1cccc([C@@H](NC(=O)C[C@H](CC#N)c2ccccc2)c2cc(F)ccc2OC)c1 476246973 PMRFXFPHMJZJNK-AFMDSPMNSA-N 432.495 5.136 30 20 IKED COc1cccc([C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)c2cc(F)ccc2OC)c1 476249402 SAZVOWMUDAWRLW-DEOSSOPVSA-N 432.495 5.163 30 20 IKED N#CC[C@H](CC(=O)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1)c1ccccc1 476476675 POYXQQUIDKVLKC-NFBKMPQASA-N 434.584 5.376 30 20 IKED CC[C@@H](NC(=O)N(C)C[C@H](C)C#N)c1ccccc1OCc1ccccc1Br 477365466 OAHLGUGUPPKXJF-OXQOHEQNSA-N 444.373 5.280 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl 480553204 MWADFXYPMNPRQY-UHFFFAOYSA-N 440.396 5.755 30 20 IKED COCC[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(C)o1 481612771 OJHVAMFQHWZFIO-QHCPKHFHSA-N 433.508 5.132 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 482482823 URPLIKVPBAGNEP-QFIPXVFZSA-N 427.495 5.405 30 20 IKED CCCN(C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)[C@H](CC)c1ccccc1 484853537 GTKDXPNATGATPC-JOCHJYFZSA-N 442.519 5.074 30 20 IKED O=C(N[C@@H]1CCCC(F)(F)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 489022297 WWQOKBIIVKONLP-XDTFEOGOSA-N 447.410 5.803 30 20 IKED Cc1ccc(C[C@@H](C#N)Sc2nnc(COc3ccccc3)n2Cc2ccco2)cc1 489646129 OBBPZFWGTNZBQJ-QFIPXVFZSA-N 430.533 5.034 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1CCN(c2cc(Cl)ccc2C)C1 490760725 VBDWWKRHQVHVDV-FQEVSTJZSA-N 444.023 5.040 30 20 IKED Cc1ccc(OCc2nc(CC(=O)N(Cc3ccco3)c3ccccc3C#N)cs2)cc1 500993568 DLVVXNBDUBVBHQ-UHFFFAOYSA-N 443.528 5.271 30 20 IKED O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cc(N2CCCC2=O)ccc1F 505346878 YIXXAZCMXXBVSK-KRWDZBQOSA-N 448.338 5.005 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc2c(c1)OCO2 505542686 LAVMQVLCSLSQIX-QRWLVFNGSA-N 433.895 5.607 30 20 IKED CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 509260753 VPXACLPHCBYFGC-UHFFFAOYSA-N 433.430 5.051 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ncccc2F)n1)c1nc(-c2c(F)cccc2F)cs1 509894114 MXIRMBGFQPTTMM-JTQLQIEISA-N 442.447 5.236 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCCC[C@H]2c2ccncc2)cc1Cl 510052814 BZWDKNVWTUDDIN-NOZRDPDXSA-N 444.966 6.540 30 20 IKED COc1ccccc1CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C1CC1 510056863 OOFJKSNBBBBIJP-HSZRJFAPSA-N 445.950 6.201 30 20 IKED C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1ccc(OC(F)F)cc1 510208889 FLNOYBDBEQGKHQ-AWEZNQCLSA-N 425.460 5.341 30 20 IKED C[C@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511371612 COUNMHVALQITSO-GOSISDBHSA-N 433.939 6.210 30 20 IKED COCC[C@@](C)(C#N)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1Cl)CC2 514755723 NURDTTRWYLOTDN-BUVIUBTMSA-N 445.950 5.424 30 20 IKED N#C[C@H](C(=O)c1sc2cc(Cl)ccc2c1Cl)c1nc2ccccc2n1C(F)F 515540510 XRQCGYKNYVGXEX-LLVKDONJSA-N 436.270 6.443 30 20 IKED COc1ccc(Cl)cc1C1(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)CCOCC1 516323484 OQQKZRUTEQSVFZ-UHFFFAOYSA-N 441.959 5.020 30 20 IKED COc1ccccc1Oc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 518903841 YOZIFZQVTJGUAU-UHFFFAOYSA-N 437.455 5.799 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1 519515724 SVSLGVKJSXARCZ-QGZVFWFLSA-N 427.533 5.126 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCC[C@@H]2c2cccc(Br)c2)c1 521960343 QXXHCKOVSIRYNU-OAQYLSRUSA-N 427.342 5.234 30 20 IKED C[C@H](CCc1ccc(O)cc1)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 523799973 BRDCDECFRKKZML-LJQANCHMSA-N 431.511 5.136 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](SCc1ccccc1)C(C)C 524168510 GFDAKSCULYGARE-HSZRJFAPSA-N 431.561 5.951 30 20 IKED CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 524440014 UTWZGIOXUTUYLR-QHCPKHFHSA-N 431.561 6.049 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1NC(=O)NC(C)(C)C 524627747 FCMFPTYKVKNEES-HNNXBMFYSA-N 440.956 5.668 30 20 IKED N#Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)cc1C#N 525149186 FCALKLFHSLVDCQ-UHFFFAOYSA-N 434.864 5.395 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1ncc(-c2ccccc2Br)o1 525633384 LSPVFMYQBPNHIY-UHFFFAOYSA-N 428.286 5.201 30 20 IKED N#CCCN(C(=O)CCC(=O)N1CCc2sccc2[C@@H]1c1cccs1)c1ccccc1 531503869 KFLDRSNPBMCRQC-XMMPIXPASA-N 449.601 5.011 30 20 IKED N#Cc1ccccc1COc1cccc(CNc2cccc(CN3CCCCC3=O)c2)c1 532889832 QIVSMWLCYRSZLS-UHFFFAOYSA-N 425.532 5.262 30 20 IKED CCC(CC)CN(CCC#N)Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1 534470436 PIMJONARSKDMSW-UHFFFAOYSA-N 426.630 5.905 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)CCCn2c(=O)oc3ccccc32)c1 534527195 CMQIITFJFVGUFH-UHFFFAOYSA-N 445.906 5.133 30 20 IKED CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 536646899 YVQWTGXUSLDWNH-MZNJEOGPSA-N 434.536 5.496 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccccc2OC(F)(F)F)cc1 540459494 ZTLQVZNNKYNCMD-UHFFFAOYSA-N 426.394 5.483 30 20 IKED COc1ccc([C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c2ccc(F)cc2)cc1 541441772 KIVJJFMLTSEERQ-RUZDIDTESA-N 429.495 5.170 30 20 IKED CCOc1ccc([C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c2ccccc2)cc1 541495994 BKMXBAWWFJWZLA-AREMUKBSSA-N 425.532 5.421 30 20 IKED Cc1ccc(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1NC(=O)c1ccco1 541998190 LEINYXZFAMQJGH-IBGZPJMESA-N 449.510 5.870 30 20 IKED Cc1ccc(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1NC(=O)c1ccco1 541998191 LEINYXZFAMQJGH-LJQANCHMSA-N 449.510 5.870 30 20 IKED C=C[C@H](Cc1nc(-c2ccc(OCc3nnc4n3CCCCC4)cc2)no1)c1ccccc1 545531027 JGRMDEZLLBCGLN-LJQANCHMSA-N 441.535 5.146 30 20 IKED C=CCOc1c(Br)cc(CNCc2ccc(OC(F)F)c(F)c2)cc1OC 549887765 OFZGRGLWWUEJQX-UHFFFAOYSA-N 446.263 5.053 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cc(-c2ccccc2)on1 551407951 AGDHFIKRYFBQFH-UHFFFAOYSA-N 438.487 5.422 30 20 IKED CC1(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCN(c2ccc(Cl)cc2C#N)CC1 553408046 KQFWGUYBOARONX-NVXWUHKLSA-N 441.925 5.303 30 20 IKED C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(c2c[nH]c3c(CC)cccc23)CC1 555274434 RHVVKFRFNPTTRT-UHFFFAOYSA-N 440.595 5.268 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 555821779 QNULJUOTHXQXGY-UHFFFAOYSA-N 430.533 5.548 30 20 IKED N#Cc1cccc(COc2cccc(CNc3ccc(C(=O)Nc4cccnc4)cc3)c2)c1 556336718 CMDNGGHKKQIAEW-UHFFFAOYSA-N 434.499 5.397 30 20 IKED CC#CCCCc1nc(CC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)no1 558366727 BDNFYAMKURZWRZ-UHFFFAOYSA-N 435.336 5.027 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1OCC 580681555 WIPLZXQOBLKEAP-QGZVFWFLSA-N 446.507 5.426 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 582733054 RNBOGHKVOHGCCT-UHFFFAOYSA-N 440.927 5.615 30 20 IKED C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 588956437 CYRBYYPULQYAMU-ZBFHGGJFSA-N 427.898 5.008 30 20 IKED N#Cc1cccc(C(=O)Nc2nc(C3CC3)c(Cc3cccc(C(F)(F)F)c3)s2)n1 589372248 GHJBLOYWMILQEG-UHFFFAOYSA-N 428.439 5.149 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1 603756490 WBRLIFNOZNTQGX-IBGZPJMESA-N 429.520 5.892 30 20 IKED C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1 603992219 KGNKGLWTFIFPKE-IFXJQAMLSA-N 427.529 5.232 30 20 IKED COc1cccc(N2CC[C@H](CNC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)C2)c1 608840840 DFVRNRDVZOVAHL-LJQANCHMSA-N 442.519 5.007 30 20 IKED COc1ccccc1SC[C@H](C)CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 609147623 WFEHIGQRHHDJSM-QGZVFWFLSA-N 448.548 5.304 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)Oc1ccc(F)cc1Br 609428478 QCDAMUCRKZNZSB-STQMWFEESA-N 437.334 5.388 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NCc3ccccc3COCc3ccccc3)cc2)nc1 609500659 IDTCLWFPSOQUEF-UHFFFAOYSA-N 449.510 5.392 30 20 IKED Cc1ccc(C[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c2ccccn2)cc1 609652981 UPODWTZTUBOOGX-VWLOTQADSA-N 434.499 5.163 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@H](c3ccccc3)C(F)(F)F)s2)cc1 609682116 JBPKZYJYAWNLDS-OAHLLOKOSA-N 449.483 5.127 30 20 IKED COc1ccccc1[C@H]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 610016505 DCLKSKWYPSAJAR-NRFANRHFSA-N 441.531 5.362 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)cc2)nn1 610184165 GYUAZQGYISNVNW-UHFFFAOYSA-N 436.471 5.280 30 20 IKED CCCN(C(=O)c1cc2ccccc2n1CC#N)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 611472331 ZUWGCHBHDJEGEB-AREMUKBSSA-N 440.522 5.649 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OC(F)F 612894572 ADWKYTBOTYPVHL-AWEZNQCLSA-N 434.851 5.564 30 20 IKED CN(C(=O)CSc1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2o1)C1CCCCC1 614439854 PEKQBJJMPJMAAI-IBGZPJMESA-N 447.560 5.201 30 20 IKED C[C@@H]1C[C@@H](C)CN(c2nnc(S[C@@H](C#N)c3ccc(Cl)cc3)n2Cc2ccco2)C1 619863568 ANBFKOIPTYLWIA-QINHECLXSA-N 441.988 5.412 30 20 IKED Cc1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccccc1 642209654 NMNXOUDVPZXALJ-UHFFFAOYSA-N 436.433 5.048 30 20 IKED C=CCn1c(SCCC(=O)Nc2ccccc2SC)nnc1-c1ccc(Cl)cc1 644490505 GDIMADJRXLIJNP-UHFFFAOYSA-N 445.013 5.627 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1CCC(F)(F)F 677514348 BZMDYRDGGMNTQN-ITGUQSILSA-N 435.330 5.821 30 20 IKED CCOc1cc(CN2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)ccc1OCC(F)(F)F 678298113 QKKYZIUCDJCCKU-VXGBXAGGSA-N 439.318 5.199 30 20 IKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc(C)cc1 726571497 WCCAICRSMPOZRT-UHFFFAOYSA-O 434.972 5.693 30 20 IKED COc1ccc(/C=C2/SC(=S)N([C@@H](C)c3cccs3)C2=O)cc1OCCCC#N 726630061 SOCANYXRTISABV-ITRAFESCSA-N 444.603 5.402 30 20 IKED COc1ccc(CNC(=O)[C@H](C#N)C(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)cc1 726732312 UNAHSRIKTFOEOL-LJQANCHMSA-N 438.936 5.024 30 20 IKED Cc1ccc(C(=O)Nc2ccc(OC(=O)CSc3nc(C)c(C)c(C)c3C#N)cc2)cc1 726959969 ZIROBVDXFTUPAS-UHFFFAOYSA-N 445.544 5.137 30 20 IKED C=CCn1c(-c2ccco2)nn(CN(CCc2ccccn2)Cc2ccc(F)cc2)c1=S 726964539 QKURHCJXYKYMEK-UHFFFAOYSA-N 449.555 5.097 30 20 IKED Cc1nc(-c2ccccc2)sc1C(=O)/C=C\c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 727781262 IKSRFHRPMJQLPT-RAXLEYEMSA-N 430.489 5.323 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 729655272 KJKUFJUFBLFPLE-ZDUSSCGKSA-N 449.429 5.330 30 20 IKED CCc1cccc(C)c1NC(=O)COC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 730375987 BAYGASZTOUUVEW-UHFFFAOYSA-N 432.451 5.156 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1COc1ccc(Cl)cc1 731400752 SYCXZMGTUURHAX-WMZOPIPTSA-N 429.973 5.810 30 20 IKED CC(C)(C)n1cc(/C=C\C(=O)c2ccc(C(F)(F)F)nc2O)c(-c2ccccc2Cl)n1 731565046 YNXFUDPVSIAKIO-NTMALXAHSA-N 449.860 5.974 30 20 IKED C=CCSc1nc2ccccc2n1CN1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 734147459 VUTCRYRWEILTPB-UHFFFAOYSA-N 445.510 5.284 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1 737020258 PEZHJWYUMCVNFQ-UHFFFAOYSA-N 436.556 5.369 30 20 IKED Cc1c(C#N)c(NC(=O)CS[C@H](C)c2cccs2)n(Cc2ccc(F)cc2)c1C 737406766 SJZDLCHVYUKTPV-MRXNPFEDSA-N 427.570 5.658 30 20 IKED N#CCN(Cn1nc(-c2ccc(Cl)c(Cl)c2)c2ccccc2c1=O)C1CCCC1 738255889 PQYMXMIDPFNYLF-UHFFFAOYSA-N 427.335 5.096 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 739155735 UNAISCAZDDWJOJ-MGPUTAFESA-N 430.470 5.356 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)[C@H](Sc3ccccc3)c3ccccc3)o2)c1 741830671 WOVVFEMOVSQBSW-JOCHJYFZSA-N 427.485 5.185 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)/C=C(\C)c2cccc(C(F)(F)F)c2)ccc1OC 742674312 NAMWYJGEGXSCCE-JVVYVMHDSA-N 432.442 5.115 30 20 IKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 744032161 HILBGHLYTKKFKI-ILXRZTDVSA-N 425.674 5.237 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccc(OC(F)F)cc2)c1 744761624 MJKHSGJGBCWPKM-UHFFFAOYSA-N 432.496 5.061 30 20 IKED CC(=O)CCc1ccc(O[C@H](C)C(=O)N2CCSC2=Nc2cccc(Cl)c2C)cc1 745042741 GHMJKBVLLATXDH-QGZVFWFLSA-N 444.984 5.200 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)cc1 747204441 JPHAIMCPLRCEAW-OAQYLSRUSA-N 427.435 5.157 30 20 IKED C[C@@H]1CCN(CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)c2cc(Cl)ccc2S1 754666256 MPWRWYIPZHBGGN-RHSMWYFYSA-N 434.952 5.268 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](c2ccccc2F)C2CCCC2)ccc1OC 756029694 DSCPNDFNOZILKL-CYFREDJKSA-N 439.531 5.246 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CNC2(c3nc(C)cs3)CCCC2)c1=S 764120547 KBWUOIXIMBXSCG-UHFFFAOYSA-N 441.626 5.057 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)s2)c(C)c1 764303462 XVEVLWCDRNYOJX-UHFFFAOYSA-N 426.885 5.421 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccccc2SC(F)F)nnc1-c1ccco1 764630569 STXWFBWNPHODSA-UHFFFAOYSA-N 436.509 5.160 30 20 IKED CC(C)(C)OC(=O)c1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1 764901318 UTLODUUXHAARTN-UHFFFAOYSA-N 428.945 5.061 30 20 IKED C=CCn1c(-c2cnccn2)nn(CN2CCC[C@H]2c2cccc3ccccc23)c1=S 764913465 MIEFMFGBKPDLFO-QFIPXVFZSA-N 428.565 5.005 30 20 IKED COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(Sc2ccccc2Cl)nn1 769618990 PCQZBAQRNPQPQK-UHFFFAOYSA-N 432.288 5.034 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc(C)ccc2SC2CCCC2)ccc1OC 776323647 WOROSGFUYIBNJF-IBGZPJMESA-N 438.593 5.649 30 20 IKED N#Cc1ccc(CN2CCC(Nc3ccc(N4CCc5sccc5C4)cc3)CC2)cc1 777667117 LPKCKPJOAUPATE-UHFFFAOYSA-N 428.605 5.259 30 20 IKED C=CC[C@@H](OC(=O)C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1)c1ccccc1 778740334 YADRHAXTAUHEMX-OAQYLSRUSA-N 427.928 5.061 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl 782581783 QCMHXCKGURAGNQ-CQSZACIVSA-N 447.800 5.283 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)n1 782689392 RBVRQVSKVBVJMC-UHFFFAOYSA-N 444.926 5.290 30 20 IKED N#C[C@@H](C(=O)CCc1cc(F)ccc1Br)c1nc2ccccc2n1C(F)F 784833298 HQQGXASXQCFDMS-ZDUSSCGKSA-N 436.231 5.142 30 20 IKED CC[C@H](NC(=O)[C@@H](C#N)C(=O)c1sc(-c2ccc(Cl)s2)nc1C)c1ccccc1 787035440 DUMUEBRQAMQDMS-GJZGRUSLSA-N 443.981 5.423 30 20 IKED CC(C)(C)OC(=O)N1CCc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc2CC1 789335179 GAYTVNUGBFAEBZ-IBGZPJMESA-N 447.560 5.122 30 20 IKED N#C[C@@H](C(=O)[C@H]1CC(=O)c2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 789349691 ZWKSHOHAAUJBDP-HOTGVXAUSA-N 427.312 5.663 30 20 IKED C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)CCC(C#N)(c1ccccc1)c1ccccc1 789357473 JNKWYXGHUHNOJX-QFIPXVFZSA-N 439.559 5.536 30 20 IKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccsc2)N(C2CC=CC2)C1=O 790734873 FFARVUPIMAMFQN-GOSISDBHSA-N 445.997 5.389 30 20 IKED CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 796760596 CIYRXYANOSRXQI-DOTOQJQBSA-N 433.961 5.189 30 20 IKED C=CC[C@@H](OC(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1)c1ccc(Cl)c(Cl)c1 797554048 OLWHGLUJOTZQQD-BLLLJJGKSA-N 443.352 5.211 30 20 IKED N#C[C@@H](C(=O)CN1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1)c1nc2ccccc2s1 801589506 QEUVVLPVPGIQOX-KKSFZXQISA-N 447.457 5.062 30 20 IKED C[C@H](NC(=O)N1CCC[C@@](CO)(c2ccccc2)C1)c1ccc(-c2cccc(C#N)c2)cc1 802289286 BTMRGZMWDNVELY-RBTNQOKQSA-N 439.559 5.022 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(C(F)(F)F)[nH]1 807949113 CXTNJPLTIBSYMU-UHFFFAOYSA-N 436.846 5.316 30 20 IKED C[C@@H](OC(=O)c1cn(CCCC#N)c2ccccc12)c1ccc(SCC(=O)N(C)C)cc1 809069070 TYKJXTGGHPUKRJ-GOSISDBHSA-N 449.576 5.043 30 20 IKED Cc1c(C(=O)N(C)C2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)sc2ccc(C#N)cc12 815862042 LGYHBOJAQXAIRA-JWTNVVGKSA-N 439.581 5.084 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 914516693 AVEBNHOPDLAVGV-FDIHYXAFSA-N 429.402 5.277 30 20 IKED Cc1ccccc1-n1c(SCCCOc2ccc(C#N)cc2)nnc1-c1ccncc1 915791689 DOBIWFDHDLHHQY-UHFFFAOYSA-N 427.533 5.071 30 20 IKED N#C[C@H](C(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1)c1ccccc1 916622713 IOBQFHVTITYRJL-NRFANRHFSA-N 442.519 5.101 30 20 IKED Cc1ccc(Cl)c(O[C@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1 916888574 WQGDWQVCSMHKDE-DOMZBBRYSA-N 438.883 5.078 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cccc(OCc2cccc(C)c2)c1 916902120 CHQHBAKNGOADLV-RUZDIDTESA-N 440.543 5.660 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1OC 916915246 AXEQSJQJTWDBLW-GOSISDBHSA-N 436.895 5.252 30 20 IKED N#C[C@H](C(=O)c1ccc(SC(F)F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 917045635 ZBROINLSSKLSCB-GFCCVEGCSA-N 428.407 6.120 30 20 IKED COc1ccccc1OCCN(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 918037318 MMCQEYKDDXAROK-NRFANRHFSA-N 449.938 5.547 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)n1-c1ccc(F)cc1 920140428 HAFAEKQXEPYVNA-JOCHJYFZSA-N 440.503 5.719 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccccc2)n1)c1nc(-c2c(F)cccc2F)cs1 920805800 FYSONGQWFSFVPR-OAHLLOKOSA-N 437.496 5.631 30 20 IKED N#Cc1c(NC(=O)CCN2CC=C(c3c[nH]c4ccccc34)CC2)sc2c1CCCC2 935494684 KCPOOMXKQLBTLC-UHFFFAOYSA-N 430.577 5.098 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc5cccc(F)c5s4)cc3)CCC2)CC1 1788984195 IMEBOOLUWPZENY-UHFFFAOYSA-N 433.508 5.092 30 20 IKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2)CCC1 1789905369 VCFXYJQYMAWJEX-JTQLQIEISA-N 429.394 5.121 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccs4)CCC3)cc2)c1 1792122635 PFQROQXMENEBRK-KRWDZBQOSA-N 429.545 5.437 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2c(Cl)cncc2s1 1796371577 ZHUDKIYTZSNKJL-MUJYYYPQSA-N 446.016 5.194 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H](CC)c2ccccc2)[C@H]1c1cccnc1 1806273095 ZNTVQWMQCQTQEI-XDZVQPMWSA-N 445.607 5.050 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2ccccc2C)[C@@H]1c1cccnc1 1812747005 HSBUGUCXZBAFSF-RSXGOPAZSA-N 447.623 5.021 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(C)(C)C)nc2)n[nH]1 1814351483 AMZMAUHWOGRPIG-TZIWHRDSSA-N 449.599 5.177 30 20 IKED Cc1csc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823211273 LRTMCTJPXFFTJY-UZLBHIALSA-N 447.564 5.026 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Cl)c2C)CC1 1823915810 JDTZNHAUWNSYLN-HXUWFJFHSA-N 438.946 5.093 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCCCC2)CC1 1826284704 RBIOYDGUMBQYRZ-DEOSSOPVSA-N 444.736 5.238 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncccc2-c2ccccc2)CC1 1827875999 RNBXDUMMLUUQON-PXDATVDWSA-N 445.607 5.194 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ccn(C)c23)CC1 1828828021 BNGGLDSFVIJSMY-ILBGXUMGSA-N 447.623 5.180 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccccc2Cl)cc1 10825458 OPVSOBYINRGIDF-UHFFFAOYSA-O 430.380 5.894 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccccc2C(F)(F)F)[n+]2cccc(O)c2)cc1 11158180 FBVVHXFHAKNNEV-UHFFFAOYSA-O 445.486 5.312 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc3c(c2)CCCC3)c(C)s1 11171655 DQUDUPAXSGEXNO-UHFFFAOYSA-O 439.601 5.721 30 20 IKED COc1cc2ccccc2cc1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 12261911 NRCWFVGHIVFELG-UHFFFAOYSA-N 445.519 5.049 30 20 IKED N#Cc1ccc(/C=C2\CC(C#N)(c3ccccc3)C/C(=C\c3ccc(C#N)cc3)C2=O)cc1 20916639 WVKOZYIAKOJLLH-LVSXPEEVSA-N 425.491 5.721 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)c1ccc2c(c1)CCC2 22519753 XQGOXIXNKUFQTA-INIZCTEOSA-N 437.540 5.034 30 20 IKED C[C@H](NC(=O)c1cccnc1Sc1ccc(Br)cc1)c1ccc(C#N)cc1 26127312 KVMUAUTZAFCRTP-AWEZNQCLSA-N 438.350 5.358 30 20 IKED C=CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nc2ccccc21 27445212 PZUOXKYHBQDETA-KRWDZBQOSA-N 430.558 5.314 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl 32789361 TVRSZQDAKSDRIJ-AWEZNQCLSA-N 447.391 5.481 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(Oc3ccncc3)cc2)cc1 65173874 QOJIEUVBECXDFM-UHFFFAOYSA-N 437.524 6.290 30 20 IKED C[C@](Cc1nc2ccccc2s1)(C(=O)Nc1cccc(OCC#N)c1)c1ccccc1 107965231 GHWQQKJJURPIKA-RUZDIDTESA-N 427.529 5.338 30 20 IKED COCc1c(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)sc2cccc(F)c12 108732009 OOZCNGNBEZOVCR-UHFFFAOYSA-N 436.430 5.263 30 20 IKED Cc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cnn1Cc1ccccc1 195682504 FFXKWYAPDQJMJO-UHFFFAOYSA-N 436.515 5.137 30 20 IKED O=C(/C=C\c1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccc(N2CCC(O)CC2)cc1 210161584 SHDVNKRGIONAOM-LUAWRHEFSA-N 434.517 5.181 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN(Cc1ccco1)Cc1cccs1 303299619 CMMRNLFDQHMOHN-QGZVFWFLSA-N 425.579 5.234 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(Br)cc1Cl 303349224 NGBWZCWYZHCMBN-NSHDSACASA-N 445.791 5.298 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1oc2ccccc2c1CN(C)C 303525710 GBWNYTYFEZLQAZ-UHFFFAOYSA-N 439.515 5.506 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)c1 303751082 AIHRRWNWIJTNNN-HSZRJFAPSA-N 445.494 5.120 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 303857819 WABVMWPHWHFJTK-UHFFFAOYSA-N 446.469 5.078 30 20 IKED C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 428802685 HNUTXOHYDPNWNH-HNNXBMFYSA-N 427.335 5.132 30 20 IKED N#CCSc1cccc(C(=O)Nc2cc(Br)ccc2Br)c1 429964092 QJDJDVPVJORMQV-UHFFFAOYSA-N 426.133 5.080 30 20 IKED C[C@H](NC(=O)C(=O)Nc1cnccc1-c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 430033883 LMAGDVHJUARVFB-IBGZPJMESA-N 446.510 5.103 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCCc1cccc(OCC(F)(F)F)c1 432087318 CYBNQNRIWNENOU-HNNXBMFYSA-N 437.487 5.244 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 436141091 MKLRPTKFUATGRS-UHFFFAOYSA-N 431.451 5.598 30 20 IKED CC(=O)c1cccc(OCCCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 437465614 DYCHZTVKOYODNO-UHFFFAOYSA-N 432.451 5.490 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 437841837 LVZPSALIPYUHBL-RSXGOPAZSA-N 436.515 5.963 30 20 IKED COc1cc(CC2CN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)C2)cc(OC)c1 438696603 VGNFKQHDOHIYMI-UHFFFAOYSA-N 443.503 5.074 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(O)nc3ccccc23)cc1Cl 443690972 QPBNYDNNVRQEHT-NRFANRHFSA-N 442.906 5.571 30 20 IKED C=C[C@](C)(CCOC)C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C 445621642 SDWSAUWBAUAETN-JOCHJYFZSA-N 434.458 5.433 30 20 IKED Cc1cc(Cl)cc2cc(-c3noc(CCC(=O)N(CCC#N)c4ccccc4)n3)oc12 445710141 SJKUWJIGMFMNAS-UHFFFAOYSA-N 434.883 5.324 30 20 IKED C=C(C)COc1cc([C@H]2Nc3ccc(Cl)cc3C(=O)N2c2ccncc2)ccc1OC 463015036 WWNZMIARTDVSJK-QHCPKHFHSA-N 435.911 5.470 30 20 IKED CC(C)c1ncncc1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 464274643 IRUGEIOZBKFPTN-UHFFFAOYSA-N 426.398 5.535 30 20 IKED CC(C)Oc1ccc(-c2nc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cs2)cc1 464944657 XUHVNQFRAUXGDW-FYYLOGMGSA-N 431.561 5.509 30 20 IKED COCc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)o1 467155320 NQIITTLKUWOLJZ-HSZRJFAPSA-N 431.492 5.767 30 20 IKED C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 467747856 VKKCUPNUFIBMPP-WJXFIBLPSA-N 434.605 5.252 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3CN3CCOCC3)cc2Cl)cc1 467982744 WDASOCLNKGCHKS-UHFFFAOYSA-N 447.922 5.088 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 473761251 MJVNWAIRHQKZTQ-UHFFFAOYSA-N 436.462 5.222 30 20 IKED Cc1ccc2nc(COc3ccccc3C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)cn2c1 474446170 NYCSQFRPPUTQNA-LJQANCHMSA-N 430.533 5.292 30 20 IKED CN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H]1CCSc2ccc(Br)cc21 475661176 KTQXSUKSENFUNJ-GOSISDBHSA-N 429.383 5.559 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CCc1nc(O)c2c3c(sc2n1)C[C@H](C)CC3 476789901 FUNCPLGMGWSLHU-MRXNPFEDSA-N 449.620 5.945 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccc(CN3CCCC3=O)cc2)cc1 479525812 LZQJHUZFJAEGPQ-UHFFFAOYSA-N 427.529 5.084 30 20 IKED Cc1nc(NC(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)sc1SCC#N 480049024 DLOOBMVYDRDVIU-PMACEKPBSA-N 435.574 5.388 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(Br)c1COC 480636302 DYRGTXREICUTTQ-UHFFFAOYSA-N 429.767 5.531 30 20 IKED CCc1nnc(-c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)o1 482494222 COJYDRQSGMGOFM-UHFFFAOYSA-N 440.528 5.715 30 20 IKED COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1SC 482820576 URBPCTJGPNXSJF-UHFFFAOYSA-N 449.488 5.028 30 20 IKED Cc1sc(NC(=O)CCC(C)(C)C(=O)Nc2sc(C)c(C)c2C#N)c(C#N)c1C 487208195 ZNHCHLDJLJJESB-UHFFFAOYSA-N 428.583 5.170 30 20 IKED Cc1ccsc1-c1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)o1 488857711 PYYIZHZHPUEPJJ-UHFFFAOYSA-N 449.561 5.117 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1cccs1 489394790 DMPPSTVMTNAHCD-ZDUSSCGKSA-N 449.001 5.282 30 20 IKED CC(C)c1c(NC(=O)c2occc2COc2cccc(C#N)c2)cnn1-c1ccccc1 490346685 GROXSHLUCSHBCX-UHFFFAOYSA-N 426.476 5.292 30 20 IKED C[C@H](C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c1ccc(Br)cc1 499630259 GBLLOXPBJASTRS-ZDUSSCGKSA-N 425.248 5.015 30 20 IKED CCc1c(C)nn(-c2cccc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)c2)c1C 500469530 LMGCZETYZCVXFU-NRFANRHFSA-N 427.533 5.060 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(-c2ncco2)cc1 501402696 URLRSTGVBPBGGX-UHFFFAOYSA-N 430.277 5.463 30 20 IKED CCN(C(=O)[C@H](C)Oc1ccccc1C#N)[C@@H]1CCSc2ccc(Br)cc21 504558226 BRDVOQCPTGNVMR-KBXCAEBGSA-N 445.382 5.174 30 20 IKED N#C[C@H](NC(=O)Cc1csc(-c2cccc(Br)c2)n1)c1ccccc1Cl 505636930 OMUHBJPLYWZGNM-KRWDZBQOSA-N 446.757 5.150 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1 510682528 OYRBLTPLZPSQPZ-BJKOFHAPSA-N 431.467 5.531 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C 510712810 BYUHAVWXXQANIO-XMMPIXPASA-N 432.499 5.223 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(Br)cc2)cc1 511003134 TZABXPIYZVIECT-INIZCTEOSA-N 442.357 5.146 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2csc3ccccc23)cc1 511422358 QFBPHPCLLOGKBG-UHFFFAOYSA-N 427.529 5.868 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)oc2ccc(Cl)cc12 513670988 FGOUNUHMRUPAPW-CQSZACIVSA-N 437.908 5.474 30 20 IKED COc1ccc(Nc2nnc(SCC(=O)c3cn(CCC#N)c4ccccc34)s2)cc1 513980257 QXLWTCCFDITCQI-UHFFFAOYSA-N 449.561 5.134 30 20 IKED Cc1ccccc1-c1cc(C(=O)Nc2sc3c(c2C#N)CCC3)c2cnn(C(C)C)c2n1 514487050 NNIGERCXLOAJAC-UHFFFAOYSA-N 441.560 5.662 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@@H](C[C@@H]3CCOC3)c3ccccc3)cc2)ccn1 514696792 RMNBRYCKVFYQMU-UUOWRZLLSA-N 428.492 5.035 30 20 IKED C[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 516294342 TXBJTXBMZJSPOF-MRXNPFEDSA-N 433.895 5.162 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)cc1 518373017 ILPRMESWGDXMMB-MSOLQXFVSA-N 426.360 5.272 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 518744543 XNKFCPXEJOJAGC-MRXNPFEDSA-N 437.952 5.197 30 20 IKED CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 519619122 XSLNWCYXOCIYNZ-PNTFMKQHSA-N 442.519 5.218 30 20 IKED CC1CCN([C@@H](CNC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccc2)CC1 520936837 JSHYWLKFCPMKMG-OFNKIYASSA-N 436.625 5.676 30 20 IKED CC[C@@H](C)n1ncc2c(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc(C)nc21 523230101 NYWSXEMVGHCYGG-DNVCBOLYSA-N 440.532 5.196 30 20 IKED COc1cc(CS[C@@H](C)C(=O)Nc2ccccc2)ccc1OCc1cccc(C#N)c1 523936927 SJIPIGHZJFJNNI-SFHVURJKSA-N 432.545 5.406 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 525667916 IRRGXPFWHIEEAS-DHIUTWEWSA-N 442.490 5.114 30 20 IKED C=CCC[C@@H](NCc1csc(-c2ccc(C(N)=O)cc2)n1)c1ccc(C(F)(F)F)cc1 538230609 VAHSTSLEKOPEDS-HXUWFJFHSA-N 445.510 5.725 30 20 IKED Cc1c(NC(=O)[C@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cccc1[N+](=O)[O-] 542004126 CKKWJRHRXOKFIJ-MSOLQXFVSA-N 428.492 5.120 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCO[C@@H](c4ccc(F)cc4F)C3)cc2)cc1 548642146 SPKQWZUCJGMPEP-XMMPIXPASA-N 434.442 5.037 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cc(F)c(F)cc1Br 554448108 YMUFJYRIPZMSDQ-LLVKDONJSA-N 440.313 5.301 30 20 IKED C[C@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccc3ccccc3c2)n1Cc1cccs1 559167958 GVEZWNYCEYRQGM-QZTJIDSGSA-N 431.565 5.277 30 20 IKED N#CCCn1cc(CNCc2cnc(-c3ccc(Cl)cc3)s2)c(-c2ccccc2)n1 560097993 TXETZDXWCDKOIP-UHFFFAOYSA-N 433.968 5.530 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3C[C@H](c4ccccc4)[C@@H]4COCC[C@H]43)c2)cc1 562168383 MBEWFWHJZLJUGR-UODIDJSMSA-N 439.515 5.387 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCc4ccc(Br)cc4C3)cc2)ccn1 572172004 WMSAZDKUKSZSAV-UHFFFAOYSA-N 449.308 5.098 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccnc(Oc3ccc(F)cc3F)c2)cc1 577703737 WOIHWHZZBCMHQA-UHFFFAOYSA-N 447.363 5.228 30 20 IKED N#Cc1ccc(NC2CC2)c(NC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)c1 586819067 XLRXFUTXEBGTLO-UHFFFAOYSA-N 448.573 5.177 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 603746341 RLNJFYPKMIWVKA-VWLOTQADSA-N 436.559 5.793 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H](c4cc5ccccc5[nH]4)C3)s2)cc1 603827804 GWQLYZHNDCMAFP-HXUWFJFHSA-N 441.560 5.498 30 20 IKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cccc(OCCCC#N)c1 603972100 UDZLZAMVEGEHRH-UHFFFAOYSA-N 430.291 5.892 30 20 IKED CCCCOc1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1OCC 604100744 OKTOOSOEFAPHBI-UHFFFAOYSA-N 445.519 5.884 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(Cc4ccccc4F)n3)n2)cc1 605257510 IWSTYIYMGWIFOY-KRWDZBQOSA-N 449.532 5.495 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1nn(-c2ccccc2)c2c1CCC2 609060693 BAVCCXMKGFPOQZ-UHFFFAOYSA-N 448.526 5.372 30 20 IKED CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 609064760 HFFUCVIQUSWDPU-UHFFFAOYSA-N 432.549 5.333 30 20 IKED Cc1ccccc1C1(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCOCC1 609208937 QYIVTIPDBKZAOG-UHFFFAOYSA-N 441.531 5.529 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 609388500 QXLHARCBRGIBDV-FZOAFFARSA-N 437.609 5.119 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)C[C@H]1CCCO[C@H]1c1ccccc1 609388502 QXLHARCBRGIBDV-ZJCBTPCYSA-N 437.609 5.119 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)CCc1ccc(Br)cc1 609435565 XJXZSCITBJYCDO-HNNXBMFYSA-N 432.387 5.550 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCS[C@H](c2ccccc2)C1 609807848 SXRMXAKKDZBSBP-VWLOTQADSA-N 443.572 5.768 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 609968099 FRCAXUPDUCYEDR-HNNXBMFYSA-N 439.437 6.205 30 20 IKED Cc1cc(NC(=O)c2occc2COc2cccc(C#N)c2)ccc1OCC(F)(F)F 609976469 RCVLOEGKHZLSRW-UHFFFAOYSA-N 430.382 5.232 30 20 IKED C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 609986301 IIYDZOULWUGMKK-PXAZEXFGSA-N 425.248 5.028 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1)c1cccc(C#N)c1 610386252 XVEMARMWIZYRQS-HNNXBMFYSA-N 435.936 5.179 30 20 IKED COc1ccc(COCc2cccc(NC(=O)N[C@H]3CCc4cc(C#N)ccc43)c2)cc1 618751363 HKELIPGNJCMZKO-VWLOTQADSA-N 427.504 5.093 30 20 IKED Cc1cc([C@@H](C#N)C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)nc(C)n1 642282559 FQRZKBFVVQXSFE-LJQANCHMSA-N 439.302 5.143 30 20 IKED C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 681494230 OFABEQIYTSLVKQ-GBIKHYSHSA-N 434.327 5.264 30 20 IKED N#C[C@H](C(=O)c1cc(F)c(F)cc1C(=O)c1ccccc1)c1nc2cc(F)ccc2s1 684631911 NWSXFIDGHHDKSC-MRXNPFEDSA-N 436.414 5.435 30 20 IKED C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 685551404 PMUGRWFNXCTPBM-LJQANCHMSA-N 444.988 5.491 30 20 IKED C[C@H](OC(=O)CSc1ccc(C#N)cc1)C(=O)N1c2ccccc2Sc2ccccc21 728676773 DXAJJUANZALWCB-INIZCTEOSA-N 446.553 5.412 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 731267874 ILMTWJURMMPYBR-ZPMCFJSWSA-N 444.556 5.377 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 732593292 JUKRLHAZOKMHSF-HJOGWXRNSA-N 444.918 5.370 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 732900670 UKKQFOUVZMSNAM-IBGZPJMESA-N 430.410 5.752 30 20 IKED CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 733132464 OFRQDIFNINZPNU-UHFFFAOYSA-N 441.531 5.569 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(Cc2ccc3ccccc3c2)C2CC2)ccc1OC 733655737 ANPWSSRLHNKGKN-XMMPIXPASA-N 443.547 5.404 30 20 IKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(Oc2ccccc2)nc1 733679664 LBVLFFNODCJZMA-SFHVURJKSA-N 426.259 5.142 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)c1 733842485 WXYKCCZIHRVRQL-GOSISDBHSA-N 442.491 5.015 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2cc3cc(Br)ccc3o2)cs1)C1CC1 734305760 FGENWGUPWAEZIG-UTCJRWHESA-N 431.311 5.063 30 20 IKED COc1cccc(N2CCC[C@@H](NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)C2)c1 735365488 BITFWXYPIBPZDK-ZEQKJWHPSA-N 440.547 5.141 30 20 IKED N#Cc1cccc(-c2nnc(CSc3ncc(-c4ccccc4)n3Cc3ccco3)o2)c1 741850191 QIRXNHSJFGSQDS-UHFFFAOYSA-N 439.500 5.405 30 20 IKED C/C(=C\C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F 741909202 FYNDOOBPEFOHOU-AGYGCQASSA-N 433.314 5.698 30 20 IKED C[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1Br)c1cccc(C#N)c1 743774586 CQHDMMPKGIAETC-HNNXBMFYSA-N 448.320 5.064 30 20 IKED CC(=O)CCc1ccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 745313733 VOTHUBHPZZKNEX-XMSQKQJNSA-N 432.545 5.284 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(COC(=O)c2ccc(C#N)cc2C)cs1 748413234 VYGCBPKJKUXAAE-UHFFFAOYSA-N 425.897 5.018 30 20 IKED N#C[C@H](C(=O)CCc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1Cl 749025495 HIRMQRWONBSGNY-CQSZACIVSA-N 440.124 5.036 30 20 IKED C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 752277296 VRSXRJOMOHGOCY-AUUYWEPGSA-N 426.925 5.307 30 20 IKED CC1([C@@H]2CCCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2)OCCO1 752502652 WIIQTDZIBLSXHM-WIYYLYMNSA-N 439.943 5.002 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1Br 757411767 YZZFRNXTPMBSTF-CQSZACIVSA-N 439.281 5.033 30 20 IKED C#CC[C@@H](NC(=O)c1oc2ccccc2c1CSc1nnc(C)s1)c1ccccc1 758005071 FEIDDCZCKBVESM-LJQANCHMSA-N 433.558 5.379 30 20 IKED CN(C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 758518314 PIWLHUHYAJWMCN-JTHBVZDNSA-N 449.551 5.488 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)N[C@@H](c3ccccc3)c3cc4ccccc4o3)CCO2)c1 761655355 BQKJXTKPZWPSTK-FTJBHMTQSA-N 437.499 5.177 30 20 IKED COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)Nc1ccc(F)cc1OCC#N 761665434 QXTYJPBNPIIRJQ-LJQANCHMSA-N 447.510 5.402 30 20 IKED Cc1ccc(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)cc1NC(=O)OC(C)(C)C 764308054 YCMBSZMOQALAGJ-UHFFFAOYSA-N 430.848 5.028 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCCCC[C@@H]2C[C@H](O)c2ccccc2)o1 764386708 WUYJOGVFQBRRHF-VWNXMTODSA-N 444.531 5.239 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCCOc1ccc(C)cc1Cl 766257766 OQPQMTDMWFDTLB-OAHLLOKOSA-N 449.334 5.125 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)ccc1NC(=O)OC(C)(C)C 772556048 UVCDHJAHCXVOJB-QGZVFWFLSA-N 434.521 5.351 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3cccc4c3CCCN4C(=O)OC(C)(C)C)[nH]c12 778653210 ZRDSXGUWIGBYPX-SFHVURJKSA-N 430.508 5.049 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CNc2ccc(OCc3cccc(C#N)c3)cc2)cn1 779594102 DWUFRSUBLNSAFY-UHFFFAOYSA-N 430.508 5.491 30 20 IKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCC#N)cc1 784126715 FKOKOWWFJODFDP-JOCHJYFZSA-N 448.592 5.130 30 20 IKED Cc1cccnc1C(F)(F)C(=O)N(C)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 784730752 WWQJSDGPSRKCAD-CQSZACIVSA-N 426.307 5.263 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)c1cccc([C@H]2CCCOC2)c1)c1ccc(Cl)cc1Cl 787048234 FQHWBQWVGWDYLQ-GZRFBZBPSA-N 445.346 5.087 30 20 IKED N#C[C@H](C(=O)C1(c2ccccc2Br)CC1)c1nc2cc(Cl)ccc2s1 789347464 MSRGONJUDXBMEA-GFCCVEGCSA-N 431.742 5.620 30 20 IKED N#C[C@@H](C(=O)Cc1cccc(C(F)F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 790773365 NJGJYBSIBJAQDX-HNNXBMFYSA-N 437.298 6.473 30 20 IKED C=CCOc1ccc(/C=C2\SC(=S)N(CCCCC(F)(F)F)C2=O)cc1OC 794862032 MOAMEZWFTWURBM-VBKFSLOCSA-N 431.501 5.194 30 20 IKED N#C[C@H](C(=O)Cc1csc2ccc(Br)cc12)C(=O)Nc1ccccc1Cl 796630087 AUWCESRCXRREHD-CQSZACIVSA-N 447.741 5.207 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(Cc4ccccc4)c3Cl)n2)cc1 796891343 WUXCHANRUSRGNS-SFHVURJKSA-N 443.919 5.070 30 20 IKED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1oc2ccccc2c1CSc1nc(C)cs1 798040264 IKDJKLPFOSGHTQ-DNVCBOLYSA-N 428.579 5.201 30 20 IKED C=CCCc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 800155976 CZXJQYDKADYCHA-XDJHFCHBSA-N 442.631 5.487 30 20 IKED CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)OCCCC1(C#N)CCOCC1 800177592 JQTSIZVOPQLTLZ-LJQANCHMSA-N 436.390 5.298 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2F)cs1 814192014 WREHEVNTTWLCRD-BJMVGYQFSA-N 425.441 5.080 30 20 IKED C[C@@H](c1nc2ccccc2n1C(F)F)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 857196158 NIQIWEPEDGDCCL-JTQLQIEISA-N 446.370 5.010 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12 914452401 RFBOFSUWACGVCQ-UHFFFAOYSA-N 434.524 5.655 30 20 IKED C=CCN1C(=S)N[C@@H](c2cccs2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 916166664 CUYUEOHSTQSHAZ-KRWDZBQOSA-N 437.512 5.097 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc2ccccc2n1Cc1ccccc1F 916883084 GWOAHZBDAZHCSV-FQEVSTJZSA-N 445.881 5.443 30 20 IKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Cl)cc1 916896791 AQKIDPIPJFZLCA-NRFANRHFSA-N 448.906 5.197 30 20 IKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3)cc12 916900292 YESDAIUIXLZHLK-SFHVURJKSA-N 448.935 5.069 30 20 IKED Cc1nn(-c2ccc(Br)cc2)c(C)c1C=NNc1ccc(Cl)c(C(=O)O)c1 917532947 YLMHMFMMFNDJKW-UHFFFAOYSA-N 447.720 5.049 30 20 IKED CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cc(C)c(C)cc2C)cc1 917613984 WHOXNWWXEUJSCL-UHFFFAOYSA-O 442.608 6.047 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3cc(C)ccc3Cl)n2)cc1 920139328 RIYZWUSLBQCTLG-RHSMWYFYSA-N 426.925 5.424 30 20 IKED Cc1cc(-n2c(C)cc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2C)no1 920804040 JAQDSWVHDCJWDO-OAHLLOKOSA-N 438.459 5.282 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C(F)(F)F)c[nH]3)cc2)CCC1 1788721171 IAHDQRGQQWISQH-LJQANCHMSA-N 445.485 5.550 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)c(Cl)c3)CCC2)cc1 1790563653 HMIRIUAAEXTWCE-KRWDZBQOSA-N 441.959 5.197 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(F)cc3Cl)C2)CC1 1806555631 GZVKPXIBAQLBGF-UHFFFAOYSA-N 449.010 5.245 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)C[C@@H](C)c2ccccc2)[C@H]1c1cccnc1 1812729040 QLXIZWSADQCLJX-FZBZCGEPSA-N 445.607 5.050 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)C[C@H](C)c2ccccc2)[C@@H]1c1cccnc1 1812733508 HBYBQYZBSIANAC-NZJKTDFXSA-N 447.623 5.274 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ncccc23)[nH]n1 1819305244 FRJRDCUNJNXUPV-WZONZLPQSA-N 443.551 5.032 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)C1 1823698665 NVZQOKAJJCOOEF-HSZRJFAPSA-N 439.987 5.021 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3ccoc3c2)CC1 1827495585 IGFAMBDOCQHAFW-JOCHJYFZSA-N 437.584 5.054 30 20 IKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCCC(C)(C)C)CC1 1828889412 QJYNXPKIPCJCJQ-XZOQPEGZSA-N 448.692 5.176 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccncc2-c2ccccc2)CC1 1831375460 WWTSBIBWTFCAQZ-RLWLMLJZSA-N 445.607 5.194 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1cc(C)n(C)c1C)[n+]1ccc2c(c1)CCCC2 10174317 UOMHDWVSDAUJJR-UHFFFAOYSA-O 446.640 5.422 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1cc(C)ccc1C)[n+]1ccc(C(C)(C)C)cc1 10174336 QTWKFGTVCWDHAJ-UHFFFAOYSA-O 445.652 6.502 30 20 IKED N#CCCN(C(=O)COC(=O)c1c(Cl)ccc(Cl)c1Cl)c1cccc(Cl)c1 10283549 GYBFYQHNODFNDA-UHFFFAOYSA-N 446.117 5.404 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2ccc(CC)cc2)cc1 11250175 GIHIZOWBHHIRSJ-UHFFFAOYSA-O 425.524 5.428 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(F)cc2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)c1 14872516 QVJBOBRLRKSKJU-UHFFFAOYSA-O 449.449 5.371 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 24646019 RRJZTGRCVZCINK-SFHVURJKSA-N 441.531 5.514 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3cccc(Cl)c3)o2)cc1 26192966 DAKYTAGOSIXFMU-HNNXBMFYSA-N 426.929 5.126 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)n1 45795612 SJRRNFMEACRLGA-UHFFFAOYSA-N 444.360 5.642 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Cc2coc(-c3ccccc3)n2)cc1 58515502 MJJSEIIGUBVRPC-UHFFFAOYSA-N 425.463 5.124 30 20 IKED CCC(C)(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 115252059 IESRYXBWDDOPED-UHFFFAOYSA-N 430.229 5.407 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(C)o2)ccc1OCC(=O)Nc1ccccc1Cl 209436945 CWRKLBNFZCDYEC-NTMALXAHSA-N 425.868 5.164 30 20 IKED CC[C@@H](C#N)Oc1cc(CNc2ccc3cccc(Br)c3n2)ccc1OC 301679970 JCRFHPKXGGRFEO-INIZCTEOSA-N 426.314 5.299 30 20 IKED C[C@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(OC(F)(F)F)cc1 303700982 RPDHNPWEVHIJFV-VIFPVBQESA-N 438.290 5.173 30 20 IKED O=C([C@H]1C[C@H]1c1ccccc1OC(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 303930186 VKGVMBYZQBVMAM-QWRGUYRKSA-N 435.286 5.032 30 20 IKED N#CCCn1ncc(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)c1-c1ccccc1 428799376 DHCJJPXUBXLONW-UHFFFAOYSA-N 434.499 5.318 30 20 IKED C=CCC[C@@H](NC(=O)NCc1ccc(OC)c(NC(C)=O)c1)c1ccc(C(F)(F)F)cc1 429074726 BTEHHOHCMXFRKW-LJQANCHMSA-N 449.473 5.179 30 20 IKED N#CCCC[C@@H](NC(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccccc1 431912981 RIDXVBLZSNKRGH-AZUAARDMSA-N 430.474 5.018 30 20 IKED CC1(C)CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)[C@@H]1c1cccnc1 432922009 IUNWHWSAMLRSKA-XMMPIXPASA-N 426.520 5.342 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1 433128433 WTZPULOEMADWOI-XMMPIXPASA-N 447.560 5.217 30 20 IKED C=CCn1c(S[C@@H](Cc2ccc(F)c(F)c2F)C(C)=O)nnc1-c1ccccc1C 436188924 WCAUEKUCYKQVFQ-SFHVURJKSA-N 431.483 5.149 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 436348236 WGESPBBUNDMYBY-QANKJYHBSA-N 430.371 5.378 30 20 IKED C[C@H](SCc1nccn1CC(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 437266490 KGRHLGNUEIKOEW-VIFPVBQESA-N 436.343 6.477 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 438179419 QEQQKYHMUKROBM-LEWJYISDSA-N 439.441 5.195 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(CC(F)(F)F)cc2)cc1 438372839 DWWYXZWXKRCNJY-UHFFFAOYSA-N 441.428 6.036 30 20 IKED Cc1cc(C)c(NC(=O)[C@@H](C)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(Cl)c1 439665679 XKOLQBCETMIFDE-MRXNPFEDSA-N 437.902 6.199 30 20 IKED C=CCn1c(S[C@H](C)c2ccc(S(C)(=O)=O)cc2)nnc1-c1ccc(Cl)cc1 442913734 POPTWQLJIQABQW-CQSZACIVSA-N 433.986 5.041 30 20 IKED CCC(C)(C)OCc1ccccc1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 445108831 KXLUAAKPURPODM-UHFFFAOYSA-N 440.975 5.271 30 20 IKED Cc1sc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1-c1ccc(F)cc1 446135736 IHDTYNJIKOZANQ-UHFFFAOYSA-N 447.535 5.225 30 20 IKED C=CCN(Cc1cccs1)c1nnc([C@H]2CCO[C@@H]2C(C)(C)C)n1C[C@H]1CCCCO1 461723861 FQMMFKNTCPBZDU-GIVPXCGWSA-N 444.645 5.020 30 20 IKED C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)[C@H]1c1cccc(F)c1 461836575 VDTGVSPABVZVDL-DQMJNTIXSA-N 445.542 5.112 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 469676850 ISNBIMNXHBDOSS-OXQOHEQNSA-N 447.526 6.859 30 20 IKED C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 471273852 SCFYQMLIMBRNLM-GUYCJALGSA-N 437.849 5.595 30 20 IKED CC(C)(C)OC(=O)CCc1cccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 471351145 TYXZMJWKLFNOJV-GOTSBHOMSA-N 433.552 5.265 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 472323856 HDFATJDJORPELH-MMACOIQUSA-N 446.979 5.298 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 475559354 CRBMFRIGADHEFE-LJQANCHMSA-N 442.563 6.069 30 20 IKED N#CC[C@H](CC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccccc1 476896150 ZZHJFYCXFZBDTO-SJLPKXTDSA-N 428.376 5.903 30 20 IKED Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 477734839 WPYVJFJWZSIGSP-NRFANRHFSA-N 446.595 5.571 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccc(OC3CCCC3)cc2)nnc1-c1ccco1 480103307 CIAXTFIZDGBRRJ-UHFFFAOYSA-N 438.553 5.166 30 20 IKED C=C(C)[C@@H](NC(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2)c1ccc(F)c(F)c1 480313614 IKBRTTYMAPVKCW-OAQYLSRUSA-N 443.494 5.175 30 20 IKED C[C@@H](NC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1ccon1 482338346 SDNWSDUZLHDQDA-KRTXAFLBSA-N 449.273 5.376 30 20 IKED N#C[C@H](C(=O)c1ccnn1C1CCCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 483440661 MPUOPDQRZJSRCR-OAHLLOKOSA-N 431.348 5.919 30 20 IKED C=CCn1c(SCCC(=O)Nc2cccc(F)c2C)nnc1-c1ccc(Cl)cc1 488091100 PJBPGDHOBDRALA-UHFFFAOYSA-N 430.936 5.353 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nc2ccccc2n1C 489197390 PXLPMNPTWKFORW-QGZVFWFLSA-N 426.545 5.228 30 20 IKED C=C(C)Cn1c(SCc2ccc(OCc3cccnc3)cc2)nnc1-c1ccncc1 489449936 VLCNWUBWWUJDSL-UHFFFAOYSA-N 429.549 5.183 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)Nc1c(C)cccc1C 489643911 OVGJFGXRJQSHBS-IBGZPJMESA-N 436.581 5.088 30 20 IKED C=CCC(C)(C)CNC(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1 490012976 KXCJTPMJKNIZIW-UHFFFAOYSA-N 427.595 5.016 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(-c2noc(C(F)(F)F)n2)c1 490500071 VHQIPXJZLDXCLN-UHFFFAOYSA-N 442.850 5.690 30 20 IKED CCN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 492147936 OCSBNTRLWFKKLA-VLGSPTGOSA-N 426.476 5.006 30 20 IKED O=C(NCC1(c2ccc(F)cc2Cl)CC1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 498536817 YCSCNNUTDDIBOY-UHFFFAOYSA-N 432.767 5.037 30 20 IKED CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(SCc2ccccc2)cc1 499048277 OJGMGNVJHGAZPC-UHFFFAOYSA-N 429.589 5.055 30 20 IKED COc1ccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1NC(C)=O 502319630 QDPBGIICSOOMBX-FQEVSTJZSA-N 448.910 5.606 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3cccc(C[S@@](=O)c4ccccc4)c3)CC2)cc1 503480701 WNJCUBRDORBGRN-JGCGQSQUSA-N 441.556 5.187 30 20 IKED CCCOc1ccc(Oc2ncccc2CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 505116460 BFVSGNAQGPKNMT-UHFFFAOYSA-N 444.535 5.786 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Br)cc1Cl)c1nc(-c2ccccc2)cs1 505463174 YNGLTNLXFKMNRQ-CYBMUJFWSA-N 432.730 5.472 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CCC(=O)CCC(=O)c2cccs2)cc1 509657944 LLAIHOMLLBXQRI-UHFFFAOYSA-N 432.501 5.363 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 510238919 ISRFOIMDUMHFLN-UHFFFAOYSA-N 440.506 5.034 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@@H]3c3cccc(Cl)c3)c2)c1 511529121 AMWLWZHUDSJUCF-HSZRJFAPSA-N 444.922 5.833 30 20 IKED Cc1ccc(-c2noc(CCC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)n2)cc1F 519127695 MTFXCDKPHDAXKU-UHFFFAOYSA-N 442.450 5.419 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccccc1S[C@@H](C)CC#N 519515341 CXBONFCWXJFJGE-HNNXBMFYSA-N 438.984 5.718 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Oc4ccccc4)cn3)n2)cc1 519519787 XTXUQQOITIVJKK-HXUWFJFHSA-N 427.485 5.496 30 20 IKED CCCN(CC)C(=O)c1ccc(C(=O)N(Cc2ccccc2)c2ccccc2C#N)cc1 522020629 VVDBHTDSIJRTNV-UHFFFAOYSA-N 425.532 5.277 30 20 IKED CCC(=O)Nc1ccc(C)c(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 522572379 RZWZQACWUFCKFX-UHFFFAOYSA-N 433.895 5.913 30 20 IKED Cc1cc(Br)cc(C)c1CNC(=O)c1occc1COc1cccc(C#N)c1 523286081 ZGBQOXWFDVFZSR-UHFFFAOYSA-N 439.309 5.040 30 20 IKED C=CCN(C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 523844895 ZTGSNTHREJETNG-HOTGVXAUSA-N 441.459 5.319 30 20 IKED N#Cc1ccc(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)c(F)c1 525503706 SBLIRUGYPDVRFL-INIZCTEOSA-N 427.551 5.290 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc3ncccc3c2)cc1Cl 525535108 GJQGKJIEUAKAIC-NRFANRHFSA-N 433.920 5.344 30 20 IKED C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 536822471 QPQWLQAJRGNSFO-MRXNPFEDSA-N 444.362 5.166 30 20 IKED N#CC1(CCCSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)CCOCC1 537506862 IILQALKRVQUFSC-UHFFFAOYSA-N 438.984 5.780 30 20 IKED C=CCCOCCCCC(=O)N1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl 538305093 PWDAHXYFTXBJEV-IBGZPJMESA-N 427.372 5.076 30 20 IKED C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCCCC2(C#N)CCOCC2)nnc1-c1ccco1 538569609 GEORWGUGRINHLU-FUMNGEBKSA-N 440.613 5.728 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)cc1 539101909 UGAJGSZREMQBDW-UHFFFAOYSA-N 443.591 5.097 30 20 IKED COCc1c(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)sc2cccc(F)c12 542967698 PCQYQVKEFVOTTL-UHFFFAOYSA-N 440.887 5.150 30 20 IKED CN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 543594737 PGZDOBZHZSKFKT-AZGAKELHSA-N 444.506 5.269 30 20 IKED CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)o2)cc1 543873681 BCGQLSDBRTWSON-UHFFFAOYSA-N 430.851 5.112 30 20 IKED N#Cc1ccccc1OCc1cccc(-c2nc(-c3ccccc3NC(=O)C3CC3)no2)c1 546998819 XJIPKJUTCSSIIC-UHFFFAOYSA-N 436.471 5.203 30 20 IKED CC(C)(C)[C@@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1cccc(C(F)(F)F)c1 548901508 VMCAUOFZZWNUDQ-FQEVSTJZSA-N 444.501 5.455 30 20 IKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 555007334 DEPORPBMMWKJRG-OAHLLOKOSA-N 429.505 5.580 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ncsc1Br 558057055 WKXMWAMBTQCLAS-UHFFFAOYSA-N 430.302 5.072 30 20 IKED COc1ccccc1SC[C@@H](C)CNC(=O)Nc1ccccc1S[C@H](C)CC#N 561408726 SVCRTTRXCHJBJT-DLBZAZTESA-N 429.611 5.639 30 20 IKED CC(C)N(Cc1nc(O)c2ccccc2n1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 577986432 CNTFVYGHAJECBZ-UHFFFAOYSA-N 437.503 5.001 30 20 IKED CSCC[C@@](C)(C#N)NC(=O)c1oc2ccccc2c1CSc1ccccc1F 581848657 HSMBRRFSSXUTCZ-QFIPXVFZSA-N 428.554 5.629 30 20 IKED COc1ccc(-c2ncc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)s2)cc1OC 582524803 FYPDGZVLNJDYOP-GFCCVEGCSA-N 439.562 5.138 30 20 IKED N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 584797481 OGMUBQCSKJSJCU-VIFPVBQESA-N 442.388 5.383 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC2(c3noc(C(F)F)n3)CCC2)c1 590442093 YMHQNHKFODELNR-UHFFFAOYSA-N 444.825 5.134 30 20 IKED COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1[N+](=O)[O-] 603613839 ZYIRAKRHHRXUAI-ZDUSSCGKSA-N 448.287 5.524 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1 603639020 PGISXHFKJNDTJZ-UHFFFAOYSA-N 434.879 5.204 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccccc3CN3CCCCC3)cn2)cc1 603690949 VQLLPMZYXYTGSO-UHFFFAOYSA-N 441.535 5.053 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 603748020 AXKXBWGELCVWGH-UHFFFAOYSA-N 449.558 5.533 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccnc4ccccc34)s2)c(C(F)(F)F)c1 603758543 MHBCFHUBFJMAMQ-UHFFFAOYSA-N 438.434 5.425 30 20 IKED CC(C)c1nc(CCNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cs1 608843661 ZZEVTLMYOHXEFI-UHFFFAOYSA-N 436.556 5.232 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1c1cccc(F)c1 609078684 HXCYFGZVCKWLES-RUZDIDTESA-N 429.495 5.954 30 20 IKED Cc1csc([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)n1 609079888 NCZJJOKTRCORMT-CQSZACIVSA-N 426.929 5.438 30 20 IKED Cc1ccc(NC(=O)[C@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1F 609387208 SJZZIUGHQROUPM-ZDUSSCGKSA-N 425.451 5.598 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1coc(-c2ccc(F)cc2)n1 609388917 LQHZLXFPMXOQOO-HNNXBMFYSA-N 441.553 5.604 30 20 IKED CC(=O)Nc1cccc2c1CCN(C(=O)c1cccc(Oc3cccc(Cl)c3C#N)c1)C2 609730018 KCDROCIANNZHPZ-UHFFFAOYSA-N 445.906 5.161 30 20 IKED C[C@H]1CCCCN1C[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 609844923 SPNROELVDBVBDP-RBBKRZOGSA-N 432.568 5.469 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(Oc3nccs3)c2)cc1Cl 609906953 ATZYNZVHMLOYOJ-NRFANRHFSA-N 445.931 6.497 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(OCC4CCOCC4)cc3)cc2)cc1 609908881 YRLGYXNOKSKFTK-UHFFFAOYSA-N 442.515 5.603 30 20 IKED CCc1nc2ccccc2n1C1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 611334637 LIVKYMIBFQGTKV-UHFFFAOYSA-N 427.335 5.254 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@@H](Oc4cccc(F)c4)C3)c2)cc1 612300539 NVODAGHDDMAMIE-RUZDIDTESA-N 445.494 5.156 30 20 IKED C=CCn1c(-c2cccc3cccnc23)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 669814191 WFTAAHPPBDVXAA-RCZVLFRGSA-N 439.563 5.283 30 20 IKED O=C(Nc1ccc(Oc2cccc(F)c2)cc1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674558737 BONUMTAGDDRANS-HZPDHXFCSA-N 436.327 5.823 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(CCC(F)(F)F)cc1 676871852 JFDHQNXSKKRTSR-STQMWFEESA-N 435.330 5.821 30 20 IKED O=C(N[C@H](c1cccc(F)c1)c1ccccn1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 677993728 PGHNGDRHFNVJQN-CKEIUWERSA-N 449.370 5.082 30 20 IKED C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H]1c1ccc(C(C)C)cc1 685548189 YADABCNHWVLVJD-JOCHJYFZSA-N 440.551 5.245 30 20 IKED N#Cc1ccc(NC(=S)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)cc1Cl 726486991 AEVUYFKVNICOMP-UHFFFAOYSA-N 432.936 5.223 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Oc3ccccc3)cc2)[n+]2ccccc2)c1 726573183 PFRQOWWOEUAXIZ-UHFFFAOYSA-O 449.555 6.071 30 20 IKED O=C(Nc1cccc(SC(F)F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 727598352 ZJEWNIXTYTVLMM-IUCAKERBSA-N 436.368 6.032 30 20 IKED CC(=O)c1ccc(NC(=O)CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 728052736 KNMAGXVWTNXNJF-UHFFFAOYSA-N 433.895 5.044 30 20 IKED CC(C)[C@H](OC(=O)CSc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1Cl 728676705 YOCOQGYZTUSFKC-IBGZPJMESA-N 437.348 5.164 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1 730422312 WBFHISJJZZMHBX-INIZCTEOSA-N 425.485 5.201 30 20 IKED Cc1c(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)oc2ccc(Cl)cc12 731065211 ZTSNKOWMXKRSFW-CYBMUJFWSA-N 442.924 5.584 30 20 IKED C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)nc1C 731225015 MOEXQNYNCRHXFI-QZTJIDSGSA-N 447.589 5.080 30 20 IKED C#Cc1cccc(NC(=S)N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)c1 731946972 YSSIWJFMARIUEF-UHFFFAOYSA-N 444.535 5.206 30 20 IKED CON=Cc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCC3)cc1 732159368 GPBLCZLCRWPUCC-UHFFFAOYSA-N 433.558 5.746 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CC[C@@H](c3ccc(Cl)cc3)C2)c1=S 732187751 ZLHRLTFKSPQFKH-GOSISDBHSA-N 441.000 5.376 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)c1 733772058 YGGOHTOJOZYEAC-IBGZPJMESA-N 425.941 5.003 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H](Oc2ccc(Cl)cc2)c2ccccc2)c1 733773297 YKJINWLTARTKEF-QPPBQGQZSA-N 434.923 5.457 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](CCc2ccccc2)c2ccccc2)c1 733805362 BBXJEQZMVHTHFQ-AOYPEHQESA-N 427.548 5.541 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccncc3)c(Cl)c2)cc1 734080059 ISZBFEDVXRMFEY-IERDGZPVSA-N 447.922 6.002 30 20 IKED C[C@H](SC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1)c1ccc(C#N)cc1 735618204 IPSHPUWPSMPIRP-BDFKGGEMSA-N 427.504 5.935 30 20 IKED C[C@]1(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCCN(C(=O)c2ccccc2)C1 741901402 HTLBSJNIMGVKPV-NAKRPHOHSA-N 437.543 5.223 30 20 IKED C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 741904358 XWCCCYOTFVUJQH-OPAMFIHVSA-N 435.321 5.511 30 20 IKED CC(C)c1nc(C#N)c(NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)o1 745612066 MPTFSWMXAAXYRU-UHFFFAOYSA-N 444.245 5.046 30 20 IKED C/C(=C\C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(C(F)(F)F)cc1 748385321 ILAGCBQKPXVFST-RSKUSDAESA-N 448.466 5.101 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(Br)c3c(c2)OCCO3)cc1 748618627 KLIFKUYEOWGHSV-IBGZPJMESA-N 449.304 5.128 30 20 IKED C/C(=C/C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1OC(F)F 753396961 WWQUCPSPIKVSSQ-BDJZEXMMSA-N 439.245 5.346 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)c(Cl)c1 754416216 KKXUWCULKWOECQ-UHFFFAOYSA-N 428.344 5.742 30 20 IKED Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)Nc2cccc(OCC#N)c2)cc1 757609164 MWWHVJCPSIDAHD-UHFFFAOYSA-N 439.540 5.869 30 20 IKED Cc1c(NC(=O)c2ccccc2-c2ccccc2C#N)cnc(Cl)c1Br 759282458 KRBNOSRWUQUBGG-UHFFFAOYSA-N 426.701 5.597 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2COC2CCOCC2)cc1 767871361 ZGYUYHHBIAFNSN-AREMUKBSSA-N 426.516 5.290 30 20 IKED Cc1cccc(-c2cncc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)c2)c1 768680578 GDGDVIRCWMNUAW-SFHVURJKSA-N 445.544 5.247 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 775724369 ZEOMTMMHNGPENP-BUXKBTBVSA-N 432.293 5.152 30 20 IKED C[C@H](OC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)N(C)c1ccccc1 779180786 AAQXBMSIDMJCFO-SFHVURJKSA-N 430.529 5.059 30 20 IKED Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2ccccc2O[C@H](C)C#N)cc1 780156968 FDXVSIRHLVZZII-GOSISDBHSA-N 440.478 5.530 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C1=CCCCC1 783126903 QMSSMUJEJULNMO-UHFFFAOYSA-N 440.224 5.472 30 20 IKED CC[C@@H](CC#N)OC(=O)c1sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c2c1C 787087107 LTKGIAORYZVAMD-HNNXBMFYSA-N 441.578 5.051 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)O[C@@H]([C@@H]2CCCOC2)C(F)(F)F)cc1Cl 789660845 SKICLVFPCYGEBF-BEFAXECRSA-N 439.817 5.518 30 20 IKED N#C[C@H](C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1)c1cnc2ccccc2n1 792107266 AGHWOZKJDUYPDJ-NBGIEHNGSA-N 443.959 5.982 30 20 IKED C[C@@H](Cn1ncc2ccccc21)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 793121811 MCWMMMSUISDVNV-SWLSCSKDSA-N 428.439 5.177 30 20 IKED Cc1cc(C(=O)N2CCC(n3c(C)nc4ccccc43)CC2)c(C)n1-c1ccc(C#N)cc1 794044721 ZRSZTLXCKICIGQ-UHFFFAOYSA-N 437.547 5.101 30 20 IKED Cc1c(C(=O)Oc2ccc(-c3noc([C@H]4CCCO4)n3)cc2)sc2ccc(C#N)cc12 796841680 ICSVSYHPEUWLBD-GOSISDBHSA-N 431.473 5.202 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)/C=C\Sc1cc(F)ccc1F 797937012 CJQAATXIPVRYDS-CKXPSTMWSA-N 448.516 5.004 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)c3ccc(C(F)(F)F)cc3)n2)cc1 798819902 NDAAYRMFXZKTFD-UGSOOPFHSA-N 430.451 5.817 30 20 IKED N#C[C@@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1cc(C(F)(F)F)ccn1 813219256 YURKYDINCHWGCY-GFCCVEGCSA-N 443.372 5.538 30 20 IKED C=CCOc1ccc(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 814241273 LPZMDMAXZBKVDE-UHFFFAOYSA-N 427.544 5.040 30 20 IKED CC(C)(C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1csc(-c2ccccc2F)n1 815941902 RCISDCFJRLGCSZ-CQSZACIVSA-N 439.512 5.852 30 20 IKED O=C(/C=C/c1ccccc1OCc1ccccn1)c1ccc(-c2ccc(C(=O)O)o2)cc1 819841155 QGXRRZWTUXETHI-OUKQBFOZSA-N 425.440 5.515 30 20 IKED N#Cc1ccccc1Sc1ccc(-c2nc([C@H]3CCC(=O)N(CC4CCC4)C3)no2)cc1 856553167 AXYVTYJREZALBB-FQEVSTJZSA-N 444.560 5.266 30 20 IKED Cc1nc(COc2cccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2)cs1 915085701 ALFDXADYCQEIFN-RUZDIDTESA-N 439.540 5.938 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(S)n3-c3ccc(F)cc3)n2)cc1 915099998 JSSKDVVIZQIABO-KRWDZBQOSA-N 434.521 5.222 30 20 IKED O=C1NC(=Nc2cccc(C(F)(F)F)c2)S/C1=C/c1csc(-c2ccccn2)n1 915985265 RVYKGMQYBUUNCR-OQLLNIDSSA-N 432.452 5.116 30 20 IKED CC(=O)N(c1ccccc1)c1nc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cs1 916285940 QUCQGQZVYZNIMB-UHFFFAOYSA-N 449.414 5.201 30 20 IKED CCCOc1c(Cl)cc(C=Nn2cnc3sc4c(c3c2=O)CCCC4)cc1OCC 916288146 XWHMIZHJRMFINC-UHFFFAOYSA-N 445.972 5.060 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(Cl)cc2)n1 916902368 FGUNXVFWINDTLQ-GOSISDBHSA-N 437.952 5.549 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2ccc(Cl)cc2[N+](=O)[O-])cs1 917544863 JNBMVVZICBAJHV-UHFFFAOYSA-N 429.889 5.144 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(-n3cccn3)cc2)cs1 917560767 YUYVMVPPXSUAGY-GHXNOFRVSA-N 432.480 5.049 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)c(Cl)c3)n2)cc1 920143589 RWKUUFGJUMSORY-HNNXBMFYSA-N 433.316 5.381 30 20 IKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccsc4)CCC3)cc2)c1 1786041016 ASXSAFBATOKCSR-UHFFFAOYSA-N 429.545 5.000 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3c(C)nc4sccn34)CCC2)cc1 1789453879 HTZPVCMCKDSAEH-FQEVSTJZSA-N 448.592 5.220 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4n[nH]cc4c3)CCC2)cc1 1789626063 IIFJMJCOQZBQDI-UHFFFAOYSA-N 430.552 5.303 30 20 IKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)cn1C 1792124007 XSPMYXJNRTWSEO-SFHVURJKSA-N 440.547 5.022 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2ccc(C)cc2)[C@@H]1c1cccnc1 1812741624 VBJDBYAQPRHYCU-RSXGOPAZSA-N 447.623 5.021 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2sc3ccccc3c2Cl)n[nH]1 1818607187 RLJSHEMPBRJNCE-OAHLLOKOSA-N 428.945 5.160 30 20 IKED CCC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)CCC1 1819385101 JNFKBMSYZNTDLM-HXUWFJFHSA-N 442.680 5.033 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)[nH]n1 1821923975 UINRXCKTWPXFES-UGSOOPFHSA-N 435.355 5.235 30 20 IKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)[nH]n1 1822581126 KDTXTPCVRUFJQO-GOSISDBHSA-N 447.366 5.216 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cnccc3c2)CC1 1828205082 SKTNBOXKIGJXSD-CLJLJLNGSA-N 445.607 5.237 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCc3ccccc32)CC1 1828829211 FROPMMCYSMFVMD-LGPLSSKUSA-N 434.624 5.105 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccccc2)CC1 1831370764 OXBFXJNKZLLOBV-SQJMNOBHSA-N 445.607 5.194 30 20 IKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 1831862395 SAAPMMJBODMNCD-IBGZPJMESA-N 442.909 5.168 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C3CCCC3)CC2)c1 1832634813 ZYTTZUIVHWMNMT-KKNAPESVSA-N 447.623 5.293 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cccc(C)c2C)cc1 10168171 UPYZEDZFGWCHCV-UHFFFAOYSA-O 429.609 5.693 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2ccc(CC)cc2)cc1 10173772 PGCGWSAVGXNJIQ-UHFFFAOYSA-O 439.988 5.640 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cccc([N+](=O)[O-])c1)=C(/S)Nc1ccccc1Cl 10825844 ALMVPTAOEMYGBV-UHFFFAOYSA-O 440.932 5.149 30 20 IKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2ccccc2)c(Cl)c1 15248317 HAVPSRNYQHXFIW-UHFFFAOYSA-O 430.380 5.949 30 20 IKED CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](C)Nc1ccc(CC#N)cc1 15499492 RQLRLAKHPIBMSZ-MRXNPFEDSA-N 433.533 5.097 30 20 IKED C=CCn1c(S[C@H](C(=O)N(C)C)c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 17710988 OOFQQYTVGJZSDM-NRFANRHFSA-N 434.609 5.350 30 20 IKED C=CCn1c(SCC(=O)NCc2ccccc2C)nnc1-c1ccc(Cl)cc1Cl 19014643 CZNZQBWZHRMIIE-UHFFFAOYSA-N 447.391 5.155 30 20 IKED N#Cc1cc(NC(=O)N2CCC[C@H]2c2nc3ccccc3s2)ccc1OCC(F)(F)F 58559841 ZJILTULHYXOFIG-INIZCTEOSA-N 446.454 5.478 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 63576257 UEWQGMTYDILUDH-UHFFFAOYSA-N 444.318 5.117 30 20 IKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCCCCCC2)ccc1Cl 69049002 XAIKUQWXTNDRRP-UHFFFAOYSA-N 447.000 5.128 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 72025247 QUPYWSPRYDLCRO-UHFFFAOYSA-N 428.448 5.394 30 20 IKED Cc1nc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)sc1SCC#N 107914839 BXQUYHSYSWZZMB-UHFFFAOYSA-N 438.559 5.703 30 20 IKED COCO[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)OC)[C@@H]21 135629180 JYIDECZSCQDTCO-KLXYUPRBSA-N 446.628 5.323 30 20 IKED COc1ccc(C)cc1C(=O)/C=C\c1csc(N(C(C)=O)c2ccc(F)cc2F)n1 206338969 WZVHRLGPYZCKFM-VURMDHGXSA-N 428.460 5.319 30 20 IKED COc1ccccc1-c1nc(C2CCN(c3c(C#N)cnc4c(C)cc(C)cc34)CC2)no1 302693758 FVGYBBCXCXGLDR-UHFFFAOYSA-N 439.519 5.166 30 20 IKED CCN(C[C@H](C)C#N)Cn1nc(-c2ccc(C(C)(C)C)cc2)n(Cc2ccco2)c1=S 303195182 XTROABCAJPLMOG-GOSISDBHSA-N 437.613 5.459 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 303415560 BEIQJBYRBVODKG-UHFFFAOYSA-N 436.943 5.217 30 20 IKED COc1ccc(C(=O)Nc2ccc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)s2)cc1 430651159 VTZQCVZUGBILBI-HNNXBMFYSA-N 439.562 5.253 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 431220021 ZHEDELNLRJKTLR-ZIAGYGMSSA-N 441.944 5.667 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@H](CCCC#N)c2ccccc2)n(C2CCCCC2)c1C 433038854 LSNSHLGFZZPXDK-XMMPIXPASA-N 431.584 5.445 30 20 IKED O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)Nc1ccc(F)cc1C(F)(F)F 437980658 UUSSSKKGSZCKKY-UHFFFAOYSA-N 445.722 5.112 30 20 IKED CC(C)CCN(CCC#N)C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 438841354 KZMBWOSPDWTTIO-UHFFFAOYSA-N 432.977 5.125 30 20 IKED CCCc1c(NC(=O)N[C@H](CC(F)(F)F)c2ccccc2)cnn1-c1cccc(C#N)c1 439670256 HYESTDDOGZOFDC-LJQANCHMSA-N 441.457 5.512 30 20 IKED COc1ccc(C[C@@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)c2ccc(OC)cc2)cc1 440208866 AUAAOKOIYJKPNY-IZZNHLLZSA-N 443.547 5.332 30 20 IKED C=CCn1c(S[C@@H](C)c2ccc(S(C)(=O)=O)cc2)nnc1-c1cccc(Cl)c1 442920441 OVIGJQURBHAUIA-AWEZNQCLSA-N 433.986 5.041 30 20 IKED Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)Cc1ccc(C#N)cc1 460325348 OSLGIFNSJUHDLW-UHFFFAOYSA-N 426.495 5.785 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C)n1Cc1ccncc1 460377459 YHSYPKMQMDCIHA-OAQYLSRUSA-N 446.963 5.815 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)cc1Cl 462274415 REKYJPYLOPQPRH-PFATUAPWSA-N 445.950 6.037 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccc4cc[nH]c34)s2)c(C(F)(F)F)c1 463291235 MVBIKHFOKRFQBJ-UHFFFAOYSA-N 426.423 5.358 30 20 IKED N#Cc1ccc(OC2CCC(NC(=O)c3c(F)cccc3Sc3ccccc3)CC2)nc1 464409542 KTINEMCEJRJIED-UHFFFAOYSA-N 447.535 5.364 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC(C)(C)Cc1cccc(Cl)c1 465317541 PYINLCLERBUSKG-MRXNPFEDSA-N 444.000 5.058 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)c1 466299573 UINSRVVBWUVAAT-OAQYLSRUSA-N 445.332 5.373 30 20 IKED Cc1sc(NC(=O)C[C@H](CC#N)c2ccccc2)nc1-c1ccc2c(c1)CCC(=O)N2 466621283 XOBILYYQPBKHHI-KRWDZBQOSA-N 430.533 5.029 30 20 IKED C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CSc1cccc(C#N)c1 468643763 SUVDKTCPMWYIBD-SFHVURJKSA-N 429.545 5.122 30 20 IKED CC1(C)CC[C@@H](CNC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2ccccc21 470528474 AXIAVTAXJCIPBE-FQEVSTJZSA-N 444.579 5.246 30 20 IKED Cc1cccc([C@@H](NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C(F)(F)F)c1 470557537 YTKRZOYZFQZPMB-OAQYLSRUSA-N 444.457 5.003 30 20 IKED C=CCOCCCSc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 475957479 LMORNZPUERBAEV-UHFFFAOYSA-N 434.359 5.034 30 20 IKED Cc1nc(-c2ccccc2NC(=O)c2cccc(OCc3ccccc3C#N)c2)cs1 477719561 ZOZDHIIVGRUJPL-UHFFFAOYSA-N 425.513 5.822 30 20 IKED Cc1cc(NC(=O)NCC(C)(C)CCC#N)n(-c2cc(C(F)(F)F)ccc2Cl)n1 478997175 SBJRRHIWRGSUGL-UHFFFAOYSA-N 427.858 5.304 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cc1 479581691 SCCNRMBKQVBIEY-UHFFFAOYSA-N 438.556 5.606 30 20 IKED C[C@@H](NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1c(F)cncc1F 481328322 BRTAFVBNRQWSAJ-XLKFXECMSA-N 427.295 5.042 30 20 IKED C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481746250 VBRYREPXAHTGLZ-HNNXBMFYSA-N 439.437 5.779 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-n4nc(C)cc4C)c(F)c3)n2)cc1 483286665 XLSYEGVNQKRKCD-IBGZPJMESA-N 430.508 5.550 30 20 IKED N#CC[C@@H](CC(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)c1ccccc1 483602874 DVLPXEPFWVTYQY-SFHVURJKSA-N 441.447 5.067 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)Nc2ccc(C#N)c(Cl)c2)nc1-c1ccccc1 483862237 KUUPVVPVKMBEDT-HXUWFJFHSA-N 434.927 6.359 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1 487996652 MTOBYNWBZMRUQU-UHFFFAOYSA-N 446.482 5.027 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N[C@H]3C[C@H](c4ccccc4Cl)C3)c2)cc1 492289648 HDCFJNMDMQGIMJ-UAPYVXQJSA-N 445.906 5.005 30 20 IKED CC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 494005862 DJVLDDZLMXWVHM-UHFFFAOYSA-N 445.544 5.220 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)c(C)c1 494163420 JVQZWQUFRWRDIY-UHFFFAOYSA-N 436.515 5.348 30 20 IKED C[C@H](Sc1ccc(C#N)cn1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 495268035 QMWXCDVQUGNDCL-IFXJQAMLSA-N 436.924 5.058 30 20 IKED Cc1cc(NC(=O)c2sc3cccc(F)c3c2COc2ccccc2)nn1CCC#N 504085578 GDADGIYCMRGPTD-UHFFFAOYSA-N 434.496 5.290 30 20 IKED C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 505914361 YLEIEVVJKZTZPB-FYYLOGMGSA-N 431.580 5.272 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3csc(-c4ncccc4F)n3)c2)cc1 506977587 QLRAOBHCZJMUDA-UHFFFAOYSA-N 444.491 5.242 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC([C@H]2CCCO2)CC1 508878837 BTTCBCRDEJHEOM-YADARESESA-N 432.568 5.153 30 20 IKED CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)Nc1ccc(CC#N)cc1 510458207 QXKGCWXXSOMWJN-UHFFFAOYSA-N 427.426 6.085 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 510537849 JWGSAETULQGLKO-SFHVURJKSA-N 438.491 5.122 30 20 IKED Cc1cccc(OCCN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 511355350 NLRBQVOGETYQSN-UHFFFAOYSA-N 429.520 5.183 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)cc1 511406837 YKOIWUMOUBNJOW-RAYWSRASSA-N 437.543 5.021 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)c(C#N)c1 512977644 PQFBWMOFOVUJIK-GFCCVEGCSA-N 432.332 5.780 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 513677121 QTJWYGPYTJILLC-INIZCTEOSA-N 432.823 5.407 30 20 IKED COc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCC4)nn2-c2ccccc2)cc1 516072861 GUBUHEHMUIZKSK-UHFFFAOYSA-N 440.528 5.222 30 20 IKED CC(C)Oc1cc(Br)ccc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 516713836 KMENYWHRRCBWLS-CQSZACIVSA-N 448.267 5.471 30 20 IKED CCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OCC 516714053 NXYNXQWGWVXNIK-LJQANCHMSA-N 436.533 5.496 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1cc(Br)ccc1F 517532007 ICUUIWDAYACKIQ-ZDUSSCGKSA-N 436.350 5.646 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(COCc4ccco4)c3)cc2)nc1 518904433 IHCYPYNAPYDQCJ-UHFFFAOYSA-N 425.444 5.308 30 20 IKED CC(C)CN(Cc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 519913941 WSYHIVSYHMFRHJ-UHFFFAOYSA-N 426.520 5.501 30 20 IKED CCN(Cc1ccc(Cl)cc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 519918080 ATNWMPHHEBYUCA-UHFFFAOYSA-N 443.985 5.409 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1 519932009 VVJBRKAOFHGHJP-XMMPIXPASA-N 438.487 5.117 30 20 IKED Cc1c(C(=O)Nc2ccccc2SC[C@H](C)C#N)sc2nc(C(F)(F)F)ccc12 520828495 FTJHIIUJROWDRI-LLVKDONJSA-N 435.496 6.128 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3cc(N4CCCC4=O)ccc3Cl)c2)cc1 522304580 UZMYJZGRHUMJAM-UHFFFAOYSA-N 445.906 5.170 30 20 IKED Cc1cc(Br)cc(C)c1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 522311655 AGYOSSDXGCTCGP-UHFFFAOYSA-N 435.321 5.769 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CCCN(c2ccccc2)C1 522429260 OZHAPYKDNUVTQS-QHCPKHFHSA-N 440.547 5.236 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1nc(-c2ccncc2)cs1 522509874 UQQMGNOCZPNIMY-UHFFFAOYSA-N 442.569 5.200 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)Nc3ccc(F)cc3C(F)(F)F)ccc21 523715455 KARHRLXCGYCNTD-UHFFFAOYSA-N 433.327 6.046 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N(Cc2ccco2)c2ccccn2)c1 523955936 QTROECXHPAPCGH-UHFFFAOYSA-N 429.863 5.839 30 20 IKED CC(C)[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nc(C2CC2)no1 524367352 XNNQTABITGDCQI-PZJWPPBQSA-N 449.942 5.775 30 20 IKED C=CCC[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 535792536 UFXYNDJJYWZLTK-CYBMUJFWSA-N 434.461 5.198 30 20 IKED Fc1ccc(-c2noc(CN[C@@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)n2)cc1F 538321127 UBKHAXSQDSJVRF-HNNXBMFYSA-N 437.290 5.427 30 20 IKED Cc1cc(Oc2ncccn2)ccc1NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 540224101 PJUOSXQLLPGMKK-UHFFFAOYSA-N 435.487 5.438 30 20 IKED C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 541705558 ADUCKCKYFDRPRS-MRXNPFEDSA-N 426.948 5.198 30 20 IKED COc1cc(C)c(CN(C)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC 543017835 QBDZRPFAPXRHRN-LJQANCHMSA-N 443.547 5.454 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CNC(C)(C)c1cccc(C(F)(F)F)c1 553026640 WYZZSAIGWCLHSJ-HNNXBMFYSA-N 435.515 5.421 30 20 IKED CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CCCCC3)c1 556342605 NIGIJHZHSLRXLX-UHFFFAOYSA-N 444.000 5.457 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(CSCc2ccccc2)c1 558378687 KWJAVYXINCMYDS-UHFFFAOYSA-N 436.577 5.816 30 20 IKED CC[C@@H](C)n1ncc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1C1CC1 561226853 PSVNTCKOVFEKLO-MRXNPFEDSA-N 439.991 5.502 30 20 IKED C=CC1CCN(c2nnc([C@H](C)Oc3ccc4ccccc4c3)n2C[C@@H]2CCOC2)CC1 570945579 XPMKAXVZTCGQGU-FPOVZHCZSA-N 432.568 5.010 30 20 IKED N#CCCn1ncc(-c2nc(-c3cc(Br)cs3)no2)c1-c1ccccc1 571847921 PUPZAZZGJPEZSW-UHFFFAOYSA-N 426.299 5.005 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 572426863 SNNMVMCCLIOMQK-FQEVSTJZSA-N 445.611 5.053 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2)ccn1 578584376 NHYQRVIPNLKCHJ-UHFFFAOYSA-N 428.673 5.414 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3sc(-c4ccccc4)cc3C#N)CC2)c(F)c1 579602689 OKWUSTHFYBVDRY-UHFFFAOYSA-N 430.508 5.153 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)c1 589793163 SNMZBXYQLXCDKQ-RUZDIDTESA-N 440.499 5.232 30 20 IKED C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(F)cc1-c1nc2ccccc2s1 592945047 OMKAAJAJARBUSL-UHFFFAOYSA-N 445.519 5.256 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(C[C@@H](C)c3ccccc3)o2)c1 597705546 GRYCGOWPXNRHNW-WOJBJXKFSA-N 448.592 5.460 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccccc2)nc1)c1nc2cc(C(F)(F)F)ccc2s1 603627413 IGGIZRBRJXVLGD-MRXNPFEDSA-N 439.418 5.992 30 20 IKED Cc1ccc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1OC(F)F 604099133 NZGNSALKMFFSKB-UWVGGRQHSA-N 434.327 5.627 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)n1 605257558 NSPKCRVBDYGMNN-OAHLLOKOSA-N 445.331 5.892 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1sccc1Br 609060720 LEEQOVRCPZGRQJ-UHFFFAOYSA-N 427.323 5.522 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(-c4ccncc4)on3)cc2Cl)c1 609062151 AQPARGXSJDTAOP-UHFFFAOYSA-N 430.851 5.093 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H](c3ccccc3)n3cccn3)cc2Cl)c1 609062536 UDZMHQNTRHWFIR-XMMPIXPASA-N 442.906 5.215 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@H](C)c1cc2ccccc2o1 609078390 NLNAIJGPCWQXMD-LJQANCHMSA-N 439.515 6.417 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(-c4ccccc4)nc3O)cc2F)c1 609104218 BHPNOBYARHJUQC-UHFFFAOYSA-N 439.446 5.296 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCCCCNc3ccccn3)cc2Cl)c1 609208061 UBXBXMVHHZXOFT-UHFFFAOYSA-N 449.942 5.199 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(CCc1ccccn1)Cc1ccc(F)cc1 609398459 STUDMBUTIDCNJF-LJQANCHMSA-N 448.567 5.749 30 20 IKED Cc1cc(-c2noc(CCC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)n2)ccc1F 609426939 AWIZAAIETMCLAZ-UHFFFAOYSA-N 442.450 5.419 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(Br)cc2ccccc12 609430284 KKFOBGHIJGYDAE-AWEZNQCLSA-N 425.351 6.249 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2ccco2)C2CCCC2)cc1 609468748 OJXPIMPBCOOHTH-UHFFFAOYSA-N 431.492 5.929 30 20 IKED N#CCCn1cc(/C=C\c2nc(-c3ccc(OCc4cccnc4)cc3)no2)c2ccccc21 609475607 MGANMKUKHMVZLD-RAXLEYEMSA-N 447.498 5.749 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)c2)cc1 609640647 NEADVGFYUFHWNP-UHFFFAOYSA-N 436.496 5.385 30 20 IKED COc1cc(CSc2nnc(-c3ccoc3C)o2)ccc1OCc1cccc(C#N)c1 609721944 ICHCWWGSNXARGB-UHFFFAOYSA-N 433.489 5.390 30 20 IKED COc1cc(CSCC(=O)N(C)Cc2ccccc2)ccc1OCc1cccc(C#N)c1 609741063 AURXQMHKTAYQRJ-UHFFFAOYSA-N 446.572 5.038 30 20 IKED CCO[C@H](C)c1nc(CC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cs1 609754411 USLONBCDYJLYBW-QGZVFWFLSA-N 437.540 5.336 30 20 IKED Cc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c(OCCN(C)C)c1 609979812 XFHNEOVXEXNECV-UHFFFAOYSA-N 449.938 5.505 30 20 IKED Cc1ccc(-c2csc3ncnc(SCc4nnc(-c5ccc(C#N)cc5)o4)c23)cc1 610219367 MFNKXGSCSPEHGI-UHFFFAOYSA-N 441.541 5.881 30 20 IKED Cc1nn(C)cc1[C@@H]1CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 610730165 HCWZPMRPBSBZPW-OFNKIYASSA-N 433.943 5.406 30 20 IKED CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc3c(c(-c4ccco4)c2C#N)CCC3)c1 612736283 AUHFAAPUNMHGHB-HNNXBMFYSA-N 431.517 5.024 30 20 IKED Cc1cccc(-n2ncc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2C)c1 613405339 YYPBOBIETLRULT-MRXNPFEDSA-N 440.450 5.608 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 615515800 MPULMEFZQPUUJI-UHFFFAOYSA-N 433.483 5.063 30 20 IKED O=C(Cc1ccc(OC(F)(F)F)cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642658665 HDLAVLFHNBJBFA-GHMZBOCLSA-N 437.302 5.153 30 20 IKED C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC(c2nc(-c3ccccc3)no2)CC1 670197222 FADRGEIOQBFOFS-UHFFFAOYSA-N 444.539 5.165 30 20 IKED CC[C@H](CC(F)(F)F)NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 680632459 OTXUSFWQJISQAE-SECBINFHSA-N 447.301 5.371 30 20 IKED COc1cc(C=NNc2ccc(OC(F)F)cc2)cc(Br)c1OC(F)F 726427336 VJFDQZXQTGJYEL-UHFFFAOYSA-N 437.187 5.107 30 20 IKED C=C(Br)CNC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 729600710 ANXRAGPZCLADPW-UHFFFAOYSA-N 429.145 5.009 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccc(C(F)(F)F)cc1 733081106 NMBRSSCQQLEOAS-UHFFFAOYSA-N 425.336 5.412 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)[C@@H](C)c2ccccc2Br)c1 733805755 DXKJXDZTFKOYGB-RDJZCZTQSA-N 430.346 5.033 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3cccc(Cl)c3)n2)cc1 734706551 MACXSPKFWKXBAH-WOIUINJBSA-N 449.963 5.168 30 20 IKED O=[S@](Cc1ccccc1)Cc1cccc(N=Cc2cc(Br)ccc2O)c1 734753535 WWXUVZHMDPOSCD-AREMUKBSSA-N 428.351 5.354 30 20 IKED Cc1ccc(N2CCCC2)c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 735003600 XMHQPBPKFHNTLI-UHFFFAOYSA-N 425.532 5.493 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCC[C@@H](c4nc5ccccc5o4)C3)c2)s1 740060774 XFDJGQZMYYYGGY-LJQANCHMSA-N 442.544 5.517 30 20 IKED N#Cc1cc(NC(=O)c2ccnc(-n3ccnc3)c2)ccc1Oc1ccc(C(F)(F)F)cc1 742784916 MLAKCSXLUWASMN-UHFFFAOYSA-N 449.392 5.202 30 20 IKED COc1ccc2sc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c(C)c2c1 744033054 LPJAZLFMMRVUMX-INIZCTEOSA-N 433.316 5.486 30 20 IKED C/C(=C\C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccccc1C(F)(F)F 745274657 VCIYXRZZYALBTO-UTZKEFOASA-N 448.416 5.126 30 20 IKED C#CCN(Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1)[C@H]1CCc2ccccc21 746502728 MNGWOJYPCGYZIP-DEOSSOPVSA-N 429.589 5.064 30 20 IKED C=CCc1cc(/C=C(/Br)c2ncc(-c3ccc(F)cc3)o2)cc(OC)c1O 747064470 WWHGLIZVFTXUEZ-LICLKQGHSA-N 430.273 5.816 30 20 IKED O=C(C[C@@H]1SC(=Nc2cccc3c2CCCC3)NC1=O)Nc1cccc(Cl)c1Cl 748283470 GMUGXFIKDCQJBB-KRWDZBQOSA-N 448.375 5.120 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cc3cc(C)c(C)cc3o2)cs1 749132863 SEZPBGGSQSZZBE-YFHOEESVSA-N 430.529 6.395 30 20 IKED N#CCOc1ccc(CC(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)cc1 752304461 HARDKAUKOKEZFX-UHFFFAOYSA-N 444.878 5.159 30 20 IKED Cc1ccc(-n2nc(Br)cc2C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1 756222127 ALUQUISZQGPPHM-AWEZNQCLSA-N 437.322 5.043 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1-c1ccccc1 758036029 WXBZKNLCNHDMDB-DEOSSOPVSA-N 431.499 5.372 30 20 IKED Cc1cc(C)cc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 762445822 YWXOTKWSVAIKFU-UHFFFAOYSA-O 442.608 6.083 30 20 IKED Cc1ccc(-n2c(-c3cccs3)nn(CN(CCC#N)Cc3cccnc3)c2=S)cc1 764857251 NGEJWWVKYFCXDN-UHFFFAOYSA-N 446.605 5.209 30 20 IKED N#Cc1cc(Cl)c(C(=O)N2CCC(O)(c3ccccc3C(F)(F)F)CC2)c(Cl)c1 765615498 AZUYXXGUBPXWRX-UHFFFAOYSA-N 443.252 5.008 30 20 IKED CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)Cc1cc(Cl)ccc1OCC#N 767622479 QZDXCOFCZXMEOF-UHFFFAOYSA-N 431.323 5.356 30 20 IKED CCN(CCC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1)CC1CC1 771443778 PYEBWTKBPDNBQZ-MHZLTWQESA-N 444.623 5.708 30 20 IKED CC[C@]1(c2ccccc2)NC(=O)N(c2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1=O 771815649 CKKGPKJZYNUOAW-SQJMNOBHSA-N 429.907 5.357 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCc3ccc([N+](=O)[O-])cc3C2=O)cs1 773148781 HFCZZHKCSYWJLD-BOPFTXTBSA-N 433.489 5.257 30 20 IKED COc1cc(F)c(C(=O)/C=C/c2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cc1OC 777467734 QSZSBXZGZOHLCV-VMPITWQZSA-N 434.389 5.003 30 20 IKED C[C@H](OC(=O)[C@H]1CC[C@H](C(=O)O[C@H](C)c2ccc(C#N)cc2)CC1)c1ccc(C#N)cc1 778024957 SLYHADJVVBMWKJ-AEWWLJTOSA-N 430.504 5.145 30 20 IKED COc1ccc([C@H](N[C@@H](C)c2ccc(OCC#N)cc2)c2ccc(C(F)(F)F)cc2)cc1 779186571 YWMDBBMSTKXFFJ-BXKMTCNYSA-N 440.465 6.057 30 20 IKED COCCN(C(=O)Nc1ccccc1O[C@@H](C)C#N)[C@H](C)c1cccc(C(F)(F)F)c1 780679671 YNJOWRZVQQGDBG-JKSUJKDBSA-N 435.446 5.238 30 20 IKED CC(=O)N(c1nc(/C=C2\CCc3[nH]c4ccccc4c3C2=O)cs1)c1ccc(F)cc1F 781550928 DAFZZNBSHTXEIH-GXDHUFHOSA-N 449.482 5.800 30 20 IKED C#CCOc1ccc(/C=C2\SC(=S)N(CCCCC(F)(F)F)C2=O)cc1OCC 794862201 NXQYCPKSJUXIJE-LGMDPLHJSA-N 443.512 5.031 30 20 IKED Cc1nc(SC(F)F)sc1CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 796649898 KDTLASKIQXHJGZ-VIFPVBQESA-N 429.926 5.448 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)s1 797570224 DUARQMKHNLLWKK-TZIWHRDSSA-N 447.560 5.285 30 20 IKED N#Cc1cccc(OCc2nc(-c3ccc(-c4csc(-c5ccncc5)n4)cc3)no2)c1 799188827 UWQOCCFKONXTDF-UHFFFAOYSA-N 437.484 5.373 30 20 IKED Cc1ccccc1[C@H](O)C1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 804515547 DMAGCTFPUOJDEV-HHHXNRCGSA-N 440.543 5.439 30 20 IKED C#CCN(C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F)C1CCCC1 810162409 HAJUKZBLVNMBFZ-UHFFFAOYSA-N 447.432 5.507 30 20 IKED Cc1c(-c2ccccc2)oc2c(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)cccc2c1=O 813216204 OTJOEIFPWLVJRT-LJQANCHMSA-N 448.400 5.672 30 20 IKED Cc1nn(-c2ccccc2)c2ncc(C(=O)N(Cc3ccco3)c3ccccc3C#N)cc12 915151281 VVIRHMRKKCCWAT-UHFFFAOYSA-N 433.471 5.041 30 20 IKED CC(=NNc1ccc(C(F)(F)F)cn1)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 915918588 CZCPIPZIGDQVLM-UHFFFAOYSA-N 448.470 5.046 30 20 IKED CCCOc1ccc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1OC 916283442 ANYSRSMOLBPBEC-UHFFFAOYSA-N 433.533 5.113 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 916680184 GBKRNMXHAGSZHZ-RPBOFIJWSA-N 441.531 5.261 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)cc1 916915250 HQSXMZLHXWXBOT-NTKDMRAZSA-N 441.531 5.525 30 20 IKED CCOc1cc2c(cc1/C=C/C(=O)[C@H](C#N)c1nc(-c3ccc(C)cc3)cs1)O[C@@H](C)C2 916974987 TXYHTPGXTDQNBP-OBEBJHFJSA-N 444.556 5.730 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1ccc2ccccc2c1)c1nc(-c2ccc(Cl)cc2)cs1 916977117 KBCSQXHZQXEDII-OAQYLSRUSA-N 444.943 6.456 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 917353053 GPWJOJAVHDQEDQ-NRFANRHFSA-N 447.874 5.284 30 20 IKED Cc1ccc(OCc2nc(COC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)cs2)cc1 919638485 ZNMZWZHXBVENEG-QHCPKHFHSA-N 436.533 5.049 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1nc(-c2ccccc2)cs1 920113805 PORPIAXCXIEEKV-CQSZACIVSA-N 441.990 6.067 30 20 IKED Cn1c2ccccc2c2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)sc21 920140583 IEOIRQHZIRPPME-SFHVURJKSA-N 438.537 5.878 30 20 IKED CC[C@H](C)c1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806465 LTLJFZLZYAIIBE-HOCLYGCPSA-N 426.488 5.857 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cn4ccsc4n3)CCC2)cc1 1785842248 XBOMXWHXPSEFSR-UHFFFAOYSA-N 436.581 5.136 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)ccc3F)CCC2)cc1 1786676575 SSYHDTTZFZMWCM-UHFFFAOYSA-N 432.948 5.146 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccccc5)no4)cc3)CCC2)C1 1789782140 QVWUZHVBFHCNPW-UHFFFAOYSA-N 427.504 5.056 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc4[nH]c(C)cc4c3)cc2)CCC1 1790986010 SAEXKDLQHADGJP-UHFFFAOYSA-N 433.577 5.143 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)C[C@@H](C)c2ccccc2)[C@H]1c1cccnc1 1812733511 HBYBQYZBSIANAC-YMVVMYQSSA-N 447.623 5.274 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ncccc3c2)CC1 1828033869 YWOGPDYZTZGNKG-VWLOTQADSA-N 447.623 5.461 30 20 IKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)C1 1845670774 VJLIIIGFOJEUKF-UHFFFAOYSA-N 443.547 5.013 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(F)cc2Cl)n(C2CCCCC2)c1C 16584072 FBHPNYRGYHBGOG-UHFFFAOYSA-N 431.895 5.070 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)c2cccc3ccccc23)nnc1-c1ccc(F)cc1 18962104 NXWPGCCNDYIBRT-QGZVFWFLSA-N 446.551 5.393 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)n1 20973860 FOPCNOMQYKSRLP-JTQLQIEISA-N 433.377 5.419 30 20 IKED Cc1ccc(C[C@@H](C#N)Sc2nnc([C@H](C)N3CCCCC3)n2-c2ccccc2)cc1 24849757 JGRQPUDKHVBOCQ-REWPJTCUSA-N 431.609 5.350 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)cc1 29200895 GTAWGHQHIKZYCC-UHFFFAOYSA-N 426.476 5.363 30 20 IKED C=CCn1c(SCc2nccn2CC(F)(F)F)nnc1-c1ccc(C(C)(C)C)cc1 60376422 DEGBABWATRDHSZ-UHFFFAOYSA-N 435.519 5.480 30 20 IKED Cc1ccc(SCc2cccc(C(=O)[C@@H](C#N)c3nnc4n3CCCCC4)c2)c(C)c1 60851443 REPOZWGDYPIRTG-OAQYLSRUSA-N 430.577 5.404 30 20 IKED Cc1c([C@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)cnn1-c1ccc(F)cc1 62260090 LRUOOXSJYQIFTJ-IBGZPJMESA-N 440.522 5.621 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)c1C#N 111187068 PIGNYWGZVFGBOD-UHFFFAOYSA-N 442.516 5.130 30 20 IKED O=C(Nc1ccc(F)c(F)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 139125181 IDBWESDZMMBEHF-UHFFFAOYSA-N 435.274 5.440 30 20 IKED COc1cc(CNc2ccc(CC#N)cc2)ccc1OCC(=O)Nc1ccccc1Cl 237261712 BHZJSAGFWFBVLJ-UHFFFAOYSA-N 435.911 5.044 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 301748941 MIQKQZVBMCFNIA-INIZCTEOSA-N 437.392 5.122 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(C)(C)c1ccc(OCC(C)C)cc1 303319860 TYTODRIWEZRWOZ-UHFFFAOYSA-N 443.547 6.005 30 20 IKED O=C([C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 410174800 WYECFTSFIYYQEN-ZIAGYGMSSA-N 441.387 5.741 30 20 IKED CCCn1nccc1C1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 410290527 OFNKLMGOFNUFHR-UHFFFAOYSA-N 432.499 5.116 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(CCc1ccccn1)Cc1cccnc1 432073141 BQPKINVZVZLSRX-LJQANCHMSA-N 431.565 5.148 30 20 IKED COc1ccc(-c2ncc(C(=O)Nc3cc(C(C)(C)C)sc3C#N)s2)cc1OC 435929059 HYVQAYOAWVOKPE-UHFFFAOYSA-N 427.551 5.310 30 20 IKED N#Cc1cc2c(nc1NC(=O)c1ccc(-n3ncc4ccccc43)cc1Cl)CCCC2 436047007 HMLOJBRFDZILJB-UHFFFAOYSA-N 427.895 5.077 30 20 IKED C[C@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC[C@@H]1c1ccccc1 437891899 QIONCVQJFMTMGD-LVXARBLLSA-N 439.559 5.989 30 20 IKED Cc1cnc([C@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C2CC2)s1 437997063 LEBBXLDHVTXGGC-OAQYLSRUSA-N 436.512 5.314 30 20 IKED C=CCC[C@@H](NC(=O)N(C)Cc1ccc([S@](C)=O)cc1)c1ccc(C(F)(F)F)cc1 441532213 GKNCGLRGHZSMNH-KEEVHDRGSA-N 438.515 5.292 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2)cc1 442507780 CATISFFOXJTCQF-IBGZPJMESA-N 441.531 5.171 30 20 IKED CCn1c([C@H]2CCCN2C(=O)c2cn(CCCC#N)c3ccccc23)nc2ccccc21 444140268 KVOWIPACESTRDT-XMMPIXPASA-N 425.536 5.292 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(-c3ccsc3)nc2C)c1C#N 445559597 UOKCYXOOUJFRFN-UHFFFAOYSA-N 431.546 5.150 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(C(=O)N[C@H](C)c3ccc(C#N)cc3)C2)n1 446112572 QABNIMCBUMMBNH-XLIONFOSSA-N 446.576 5.341 30 20 IKED N#Cc1cc(F)c(C(=O)Nc2ccnc(Oc3ccccc3Br)c2)c(F)c1 446182507 HCHYCKRGGIBSOE-UHFFFAOYSA-N 430.208 5.039 30 20 IKED O=C([C@H]1C[C@H]1c1ccccc1OC(F)(F)F)N(Cc1ccc(F)cc1)CC(F)(F)F 460451907 QVDFADFDEACKLV-HOTGVXAUSA-N 435.339 5.419 30 20 IKED C=C(C)Cn1c(N2CCC[C@H]2c2ccc(COC)o2)nnc1C(F)(F)Oc1ccccc1 460943131 IPJVPEHFMIUXFC-IBGZPJMESA-N 444.482 5.063 30 20 IKED C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1CC(=C)C 460960253 REGMUOBIWGJCKX-DQEYMECFSA-N 439.563 5.164 30 20 IKED C[C@@H](C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)c1cccc(C#N)c1 462031204 LPRFDWOKPQSQNS-OAHLLOKOSA-N 437.421 5.572 30 20 IKED Cc1ncsc1-c1nc2ccccc2n1CC(=O)N(CC(C)C)c1ccc(C#N)cc1 463565657 XIOMMFGJSLXTEZ-UHFFFAOYSA-N 429.549 5.029 30 20 IKED CC(C)OC(=O)C[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 463948334 GULJCTQIVLZQTN-QGZVFWFLSA-N 439.487 5.075 30 20 IKED COCc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)o1 467169690 MVKHCKWFPXQNQI-XMMPIXPASA-N 445.519 5.440 30 20 IKED C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469972648 JWBPVJMYMKTRCY-MRXNPFEDSA-N 443.469 5.106 30 20 IKED Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 470305175 YYIWZWKVKPUHIA-HXUWFJFHSA-N 428.410 5.462 30 20 IKED C=CCOc1ccc(CN(C(=O)c2cc3c(C(F)F)nn(C)c3s2)C(C)(C)C)cc1 471159555 JGPOSXNLXPVQDB-UHFFFAOYSA-N 433.524 5.578 30 20 IKED CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Nc2ccc(Cl)c(C#N)c2)cc1 471669036 URXAJPOCGDVVCB-UHFFFAOYSA-N 442.949 5.019 30 20 IKED COC(=O)C[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc2ccccc2c1 473679431 VDPZRCMRDBIREY-JTSKRJEESA-N 447.560 5.660 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F 473785755 BVAISXMKVQZKNC-UHFFFAOYSA-N 440.425 5.840 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 475566892 JDIQWSDLTUXSEB-FQEVSTJZSA-N 448.611 5.678 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCC1CCN(Cc2csc(CC)n2)CC1 475578780 CXRKQZYMWUUEQQ-UHFFFAOYSA-N 440.657 5.591 30 20 IKED CCc1nc2c(s1)[C@H](N(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N)CCC2 478040156 KISOYGUVZKQGTE-CRAIPNDOSA-N 428.627 5.048 30 20 IKED C[C@@H](NC(=O)c1cccc(CC#N)c1)c1nc(-c2ccc(Br)cc2)cs1 478743361 TULBKYORQCZMPQ-CYBMUJFWSA-N 426.339 5.130 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@@H](CC2CCC2)c2ccccc2)CC1 479476263 XHFFJKUUUKNAEG-NRFANRHFSA-N 444.535 5.070 30 20 IKED CO[C@@H](C)CN(C)C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 481436443 FJXWUXJKLOVXQR-QPUJVOFHSA-N 440.306 5.004 30 20 IKED CCCN(C(=O)NC1CCC(Oc2ccccc2C#N)CC1)[C@@H]1CCCc2cccnc21 483023459 YJONVGBSXYSCTO-XPPIMPSXSA-N 432.568 5.142 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)c3nccc4ccccc34)cc12 483204504 RLPVTNAWYRNDFK-OAQYLSRUSA-N 440.503 5.632 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)NCc2ccc(-c3ccc(Cl)cc3)cc2F)cc1 484427041 SHEGFUWHHSVAFL-UHFFFAOYSA-N 449.913 5.202 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3F)s2)nc2sccc2c1=O 484499502 JHKDOCXUZDPQSK-NSHDSACASA-N 430.555 5.155 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2nnc(CC(F)(F)F)s2)cc1 484931206 BOMHMUYPWMEOOB-UHFFFAOYSA-N 434.468 5.059 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NC[C@H]3CCCN(Cc4cccs4)C3)c2)cc1 486017153 OLKDPYGXKYGJJF-HXUWFJFHSA-N 431.561 5.054 30 20 IKED O=[S@@](Cc1cc(F)c(C(F)(F)F)cc1F)Cc1c(F)ccc(Br)c1F 488865697 KJMTZWMYPQIXGS-VWLOTQADSA-N 449.185 5.473 30 20 IKED C=C(C)Cn1c(S[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C(C)C)nnc1-c1ccncc1 489446698 INTIUZDFEUVKFF-JOCHJYFZSA-N 447.608 5.160 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCCC[C@@H]1c1ccc(C(C)C)cc1 490823462 GENIFAAWYZNHRJ-XMMPIXPASA-N 429.568 5.028 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)c2cc(C)n(Cc3ccco3)c2C)n1 497434837 ZGMIKPPDMPLTFP-UHFFFAOYSA-N 433.455 5.315 30 20 IKED CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 497456058 XDSNGNRXPYNMLO-SIKLNZKXSA-N 449.620 5.008 30 20 IKED CC(C)CN(C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1ccc(C#N)cc1 499322144 DMJCZVAEBMFGNH-RUZDIDTESA-N 425.532 5.109 30 20 IKED COc1ncc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c(C)n1 499627134 RUIAABWNNNLJTI-CYBMUJFWSA-N 447.301 5.224 30 20 IKED N#Cc1cn(CCOc2c(Cl)cccc2Cl)c2ccc(Br)cc2c1=O 502819637 KCILODCCHPVEQL-UHFFFAOYSA-N 438.108 5.021 30 20 IKED Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 503498992 PWZSVSQHBOVABG-HXUWFJFHSA-N 442.563 5.203 30 20 IKED O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N[C@H](c1c(F)cccc1F)C(F)(F)F 505435524 WLAFSNCDSZDTRV-LJQANCHMSA-N 446.322 5.250 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc2c(c1)OCO2 505542685 LAVMQVLCSLSQIX-MGPUTAFESA-N 433.895 5.607 30 20 IKED CCCc1noc2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c12 508207401 XBFJTMDIKDFJMU-AWEZNQCLSA-N 435.434 5.288 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cc1 508273535 LALMJANWIDKTKJ-QFIPXVFZSA-N 447.491 5.165 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 508384025 AMADJYLZJUARGG-UHFFFAOYSA-N 429.867 5.350 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3Cc4ccccc4-c4ccccc4C3)CC2)c(F)c1 509225996 MSUMDACJDKAZNY-UHFFFAOYSA-N 425.507 5.123 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NCCc3nc4ccccc4n3C(F)F)c2)cc1 511387736 KTUSRZIEWADGPP-UHFFFAOYSA-N 432.430 5.068 30 20 IKED CC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 511696009 SFXVPYBYGCDOQP-ZDUSSCGKSA-N 447.354 5.063 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)c12 513210622 PWDORFUTHMVJDE-INIZCTEOSA-N 443.473 5.522 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(N3CCCCC3)nc2)cc1 513993134 YEWNEINGSJUMDB-UHFFFAOYSA-N 443.526 5.317 30 20 IKED COCCOc1c(Cl)cccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 517655844 ZTKILNDCSMOJBF-UHFFFAOYSA-N 436.895 5.476 30 20 IKED COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 517934422 SCKQBFFCFYCNBV-ROUUACIJSA-N 445.519 5.046 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N(Cc3cccnc3)c3ccc(Cl)cc3)cc2)nc1 518902728 ALHCYIWDRBVLEK-UHFFFAOYSA-N 440.890 5.641 30 20 IKED CCC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 519438481 MKZSRFOWJLWAON-GDBMZVCRSA-N 441.519 5.125 30 20 IKED Cc1ccc(-n2ncc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2C)cc1 519941773 VEDCJXIGBZXZNP-INIZCTEOSA-N 434.471 5.381 30 20 IKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 521822885 BBIONCNTLLEDFH-AWEZNQCLSA-N 444.482 5.849 30 20 IKED CCCNC(=O)c1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 522633466 QUYSLEWDXKDHRX-UHFFFAOYSA-N 433.895 5.396 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 523594350 KTSNGZLUDPSNCO-HXUWFJFHSA-N 438.556 5.503 30 20 IKED Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 524124442 RGIBOPYNHMRSLF-UHFFFAOYSA-N 440.478 5.331 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 524832248 SUNFTIBJOSHRAL-GOSISDBHSA-N 438.487 6.197 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 530462476 NBLPOHZYRRUJFY-JWQCQUIFSA-N 426.520 5.226 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(C)[C@H](C)c1ccccc1Br 533568209 QIYLLHJWJXFUKM-HUUCEWRRSA-N 432.387 5.926 30 20 IKED COc1cccc(/C=C(\CC(=O)NC2(C#N)CCSCC2)c2nc3ccccc3s2)c1 535319152 RLPLJQPSPSJFDC-QGOAFFKASA-N 449.601 5.141 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc4c(C)ccnc4[nH]3)c3cnn(C(C)C)c3n2)cc1 537475004 IZFNNTOJWUELRU-IBGZPJMESA-N 449.518 5.057 30 20 IKED Cc1cc(-c2cc(C(=O)[C@H](C#N)c3nc4ccccc4o3)c3cnn(C(C)C)c3n2)c(C)o1 537476905 XUSJRMFSVZBVFG-SFHVURJKSA-N 439.475 5.520 30 20 IKED CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 537840896 JRSANIJWHQLYAY-CJAUYULYSA-N 447.510 5.368 30 20 IKED C[C@@H](NC(=O)NCc1ccc(-c2ccccc2C#N)cc1)c1nc2ccccc2n1C(F)F 540270833 KKDCVSUSOGGSPN-MRXNPFEDSA-N 445.473 5.530 30 20 IKED N#CCCn1cc(CNc2ncc(Cc3ccc(F)cc3F)s2)c(-c2ccccc2)n1 541818834 AABWTEQHEBAWRK-UHFFFAOYSA-N 435.503 5.401 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 543495390 XVHWDWZXVCIYDJ-YADARESESA-N 434.442 5.279 30 20 IKED COc1cc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1NC(C)=O 543852648 ZILVSRXMYTVGIR-INIZCTEOSA-N 428.492 5.075 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 548157115 XJHCXFKKKGSCGB-KRWDZBQOSA-N 437.565 5.301 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)CC1 548774671 KMLYZTKXGLJKPI-UHFFFAOYSA-N 442.371 5.814 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC(c2c[nH]c3ccccc23)CC1 549326121 HTHOXKRZQNWGPF-UHFFFAOYSA-N 441.579 5.436 30 20 IKED CC(C)c1nc(C2CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)CC2)no1 552607540 BOHCNDZQEZMZNB-UHFFFAOYSA-N 432.549 5.236 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(COCc2ccccc2)cc1 554464110 CPWXHHURAFHSHB-UHFFFAOYSA-N 432.568 5.791 30 20 IKED CC1(C(=O)NCc2cccc(-c3cccnc3)c2)CCN(c2ccc(Cl)cc2C#N)CC1 561244095 LUCOCGQPKOPGLL-UHFFFAOYSA-N 444.966 5.197 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(C)ccc(Br)c1C 562401634 WOZLJUZNVFUPCS-UHFFFAOYSA-N 436.309 5.686 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1Cl 568332963 BQWDTANRRUEZBA-MZYLBHOOSA-N 435.955 5.561 30 20 IKED N#Cc1ccc(Sc2nnc(Cc3cccs3)n2CCc2ccccc2)cc1[N+](=O)[O-] 568573900 SFLHRDBDIASIPM-UHFFFAOYSA-N 447.545 5.104 30 20 IKED Cc1cccnc1OC1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 570725007 GOQUXDDQCTVKMJ-UHFFFAOYSA-N 443.572 5.238 30 20 IKED C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(Oc2cccnc2)cc1 573402346 FJNRPKGEFIAUTE-QGZVFWFLSA-N 446.576 5.365 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N(CCC(F)(F)F)Cc3ccccc3)cc2)ccn1 574131428 DBDFCANODCKSMJ-UHFFFAOYSA-N 440.425 5.732 30 20 IKED C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC(n2c(C)nc3ccccc32)CC1 575957666 KPEXSRVJOAUQIY-UHFFFAOYSA-N 449.562 5.179 30 20 IKED CCO[C@H](c1noc([C@@H](C)Oc2ccc(C#N)cc2)n1)c1ccc(F)cc1C(F)(F)F 589155421 VVUPBFJICNTNJE-XIKOKIGWSA-N 435.377 5.365 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590329216 RPPUQSAQDKSMHY-RKDXNWHRSA-N 440.281 5.876 30 20 IKED C[C@H](NC(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1nc2ccccc2n1C(F)F 591840869 JOBYCDJMNIXIHN-JTQLQIEISA-N 448.342 5.968 30 20 IKED N#CCCN(C(=O)COc1ccc(Cl)cc1Br)c1cccc(Cl)c1 594626475 UWXVVVWGRLGUKX-UHFFFAOYSA-N 428.113 5.082 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@H]3c3cccc(F)c3)c2)c1 604085398 DRQBERMKLQHSOD-QHCPKHFHSA-N 428.467 5.319 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccccc3OCC(F)(F)F)cn2)c1 604088573 ZAJYVQRNHJPMPN-UHFFFAOYSA-N 442.397 5.008 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)[C@H]3CCCN(c4nc5ccccc5s4)C3)n2)cc1 604231190 QHSPYBFWTASWLV-KRWDZBQOSA-N 445.573 5.147 30 20 IKED N#Cc1cnc2ccc(OC(F)F)cc2c1N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604303655 AWLVQMOKZVJUFV-GHMZBOCLSA-N 439.306 5.275 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604505113 WAYMAHYQDWJSMG-PIIMJCKOSA-N 449.439 5.635 30 20 IKED CCN(CC1CCN(c2ccccn2)CC1)C(=O)Nc1cccc(C#Cc2cccs2)c1 608273255 RCNPQCMAGDPIFC-UHFFFAOYSA-N 444.604 5.313 30 20 IKED C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609175944 QGCHOYWNURSGHB-MRXNPFEDSA-N 449.507 5.189 30 20 IKED CCCN(CCc1ccccn1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609206487 LZIALYZGKNBREQ-HSZRJFAPSA-N 432.955 5.877 30 20 IKED CN(C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1ccc(C#N)cc1F 609217709 PEOKMFUVJDZLSK-UHFFFAOYSA-N 442.277 5.533 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1coc(-c2ccc(F)cc2)n1 609388919 LQHZLXFPMXOQOO-OAHLLOKOSA-N 441.553 5.604 30 20 IKED Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 609434821 TVERFJQHDAIIJC-RXVVDRJESA-N 439.581 5.594 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 609434854 VAHZNWWKRHBSEZ-SJORKVTESA-N 436.606 6.102 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2)cc1 609504754 CLLSVCCUOVVQII-UHFFFAOYSA-N 437.499 5.100 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@H](c4nc5ccccc5o4)C3)cc2)cc1 609515604 MWQFLHLIXAQTHC-NRFANRHFSA-N 437.499 5.706 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 609644259 CVWSAXVQYFCSQR-SFHVURJKSA-N 427.529 5.784 30 20 IKED CN(C)[C@H](CNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccsc1 609731266 WSLMGYAPTPGWMZ-HXUWFJFHSA-N 425.941 5.098 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(Oc3nccs3)c2)cc1 609907237 ACSVMWIBGDVGRO-UHFFFAOYSA-N 443.484 5.860 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Nc3ccc(OCC4CCOCC4)cc3)cn2)cc1 609927911 HYINWNFYXFILLW-UHFFFAOYSA-N 444.491 5.195 30 20 IKED COc1ccc([C@@H](NC(=O)CSCc2ccc(C#N)cc2)c2ccccc2Cl)cc1 610056010 UYCSRLMTLXHNRY-XMMPIXPASA-N 436.964 5.359 30 20 IKED COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CSc2ccc(C#N)cc2F)cc1 610164651 MAWKEBKNIZEPFZ-QHCPKHFHSA-N 445.519 5.176 30 20 IKED Cc1nc(SCC(=O)Nc2ccc(COCc3ccccc3)cc2)c(C#N)c(C)c1C 610184644 BIQMQAJFFMWVDI-UHFFFAOYSA-N 431.561 5.326 30 20 IKED Cc1occc1-c1nnc(SCc2nnc(-c3ccc(C#N)cc3)o2)n1-c1ccccc1 610219395 PPPUMQIADORBMA-UHFFFAOYSA-N 440.488 5.050 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(OCC4CCCCC4)CC3)cn2)c1 610321112 HJWCHOKYIMOUFU-UHFFFAOYSA-N 434.540 5.339 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)c1ccc2ccccc2n1 613290845 OBRKIYOSSJJNGI-GOSISDBHSA-N 433.920 5.722 30 20 IKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc(C3CC3)nc21 613403219 MXRRADXSDDGRGT-OAHLLOKOSA-N 435.940 5.643 30 20 IKED N#C[C@H](C(=O)c1cnn(Cc2ccccc2Cl)c1)c1nc2cc(Cl)ccc2s1 613403423 PIMGEJPUFHEDOA-OAHLLOKOSA-N 427.316 5.338 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2cccc3ncccc23)C(C)C)nnc1-c1ccoc1C 639394157 DFLGOWDHINZIBR-NRFANRHFSA-N 447.564 5.336 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C(C)C)nnc1C1CC1 639394814 DMRGIAMCORHMCD-INIZCTEOSA-N 425.385 5.404 30 20 IKED CC(C)c1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c2cnn(C(C)C)c2n1 642281472 GKNFFBJRJPEKLW-GOSISDBHSA-N 429.549 5.749 30 20 IKED C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 670232417 YBVUXPFLUZDZOK-HXUWFJFHSA-N 443.551 5.267 30 20 IKED C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 674330555 FKPAIXHYYMFIRF-YMEQNVIZSA-N 426.376 5.221 30 20 IKED Oc1nc(CN[C@@H](c2c(F)cccc2F)C(F)(F)F)nc2cc(C(F)(F)F)ccc12 679549480 UVPUZOLESRFZBQ-HNNXBMFYSA-N 437.290 5.026 30 20 IKED C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 681494232 OFABEQIYTSLVKQ-GIPNMCIBSA-N 434.327 5.264 30 20 IKED Cc1cc(C)n(N=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c(=O)c1C#N 727061276 FNNKQEIPBRFMTR-UHFFFAOYSA-N 426.303 5.105 30 20 IKED N#C[C@@H](C(=O)CCc1ccc(OC(F)(F)F)cc1)C(=O)Nc1cccc2ccccc12 727628780 YPCUFUXUEFGBEG-IBGZPJMESA-N 426.394 5.019 30 20 IKED C[C@H](NC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(C(F)(F)F)c1)c1ccc(C#N)cc1 728130666 RWTBXRCAFQVYQB-OAGGEKHMSA-N 446.473 5.073 30 20 IKED CC(C)c1ccc([C@H](CNC(=O)Nc2ccc(CC#N)cc2)NC(=O)OC(C)(C)C)cc1 729033910 WGLWTWNPESIUCC-QFIPXVFZSA-N 436.556 5.264 30 20 IKED N#C[C@@H](NC(=O)/C=C/c1ccc(Br)o1)c1ccc(OCc2ccccc2)cc1 729370920 ZZIBRJBWUGKPIH-VSFZPWCASA-N 437.293 5.015 30 20 IKED Cc1ccc(-c2nnc(COC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)o2)cc1 730376530 GQAKLUYCZFSQBA-UHFFFAOYSA-N 429.407 5.205 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)c1nc2cc(F)ccc2s1 730422082 TTYBZZLAQLHLFD-CQSZACIVSA-N 427.913 5.631 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)/C=C\c1ccc(Br)o1 730996777 ZTUXICXIRYEIKN-DAXSKMNVSA-N 445.260 5.719 30 20 IKED Cc1ccc(CC(=O)Nc2cccc([C@@H](C)OC(=O)[C@@H](C)Oc3ccc(C#N)cc3)c2)cc1 731301762 NPXZRJVYALPKHA-WOJBJXKFSA-N 442.515 5.120 30 20 IKED Oc1c(Br)cc(Br)cc1/C=N\C[C@@H](O)c1ccc2ccccc2c1 731488230 AAOBVVJSKKJZHP-CIQOZVAXSA-N 449.142 5.223 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(c2c(C#N)cnc3c(F)cc(F)cc23)CC1 732803712 PPEWULWINYBARM-HXUWFJFHSA-N 442.510 5.001 30 20 IKED Cc1cc(C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)c(C)n1-c1ccc(C#N)cc1 733281020 GALTZVNVMYCCJW-UHFFFAOYSA-N 443.894 5.454 30 20 IKED C=CCNC(=O)Nc1ccc(NCc2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)cc1 734157672 OEVHXTFMKHZGIL-UHFFFAOYSA-N 444.366 5.466 30 20 IKED CC(C)c1ccc(CCCNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 735200300 KBYYFQIEQFPTTA-SANMLTNESA-N 439.559 5.153 30 20 IKED O=C1Nc2c(Cl)cc(Br)cc2C1=NNc1ccnc2cc(Cl)ccc12 735609612 XCBGVLLSTGVALI-UHFFFAOYSA-N 436.096 5.072 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)C(=O)Nc3ccccc3-c3ccccc3)c2)s1 740508668 YTCPPDBYDKXQGX-UHFFFAOYSA-N 437.524 5.209 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F 741174317 LXNYKBSCIXKADV-KBPBESRZSA-N 425.790 5.218 30 20 IKED O=C(COc1ccc(C(=O)/C=C\c2ccc(OCC(F)F)cc2)cc1)Nc1ccccc1 741853434 YBKSTSZPTNNAMD-NVNXTCNLSA-N 437.442 5.244 30 20 IKED COc1cc(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)ccc1SC 747615110 SGIMFJVGBDWJBL-ZRDIBKRKSA-N 441.556 5.620 30 20 IKED CCOc1cc(C#N)ccc1OC(=O)c1oc2ccccc2c1CSc1ncccn1 748611170 ZDHORUJQMWGKJB-UHFFFAOYSA-N 431.473 5.005 30 20 IKED COc1ccc(CCN(Cc2ccsc2)C(=S)Nc2ccccc2C#N)cc1OC 749831753 YWEHKVXYXRVJHQ-UHFFFAOYSA-N 437.590 5.079 30 20 IKED CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1c(F)cc(C#N)cc1F 755090998 MCGHNSJHVYSVFB-UHFFFAOYSA-N 430.407 5.133 30 20 IKED CC(C)(C)OC(=O)NCC1(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)CCCC1 757308033 YQCPTWAJRGHAGF-CQSZACIVSA-N 433.961 5.211 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@H](c1cccc(F)c1)c1cccc(Cl)c1 758072960 SQBGNHBMGXEOJT-QHCPKHFHSA-N 438.886 5.334 30 20 IKED C[C@@H](C#N)Oc1ccc(CN[C@H](c2cccc(F)c2)c2cccc(Br)c2)cc1 759289389 DEOJOSCYZHLJNB-HJPURHCSSA-N 439.328 5.758 30 20 IKED COc1cccc([C@@H](C#N)NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1OC 761671908 OARMATMOAYBFQY-LJQANCHMSA-N 447.878 5.016 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)cc1 777807288 HJHVGHPGMVLSFM-ZEQKJWHPSA-N 438.575 5.787 30 20 IKED CC(C)Cn1c(-c2ccc(Cl)cc2Cl)nn(CN2CCC(C)(C#N)CC2)c1=S 779878616 DVICUQVAXJGKGA-UHFFFAOYSA-N 438.428 5.627 30 20 IKED COc1cc(Cl)c(C=Nn2c(S)nnc2CSc2ccccc2)cc1Cl 782241963 VZYBLGFYLMMOFD-UHFFFAOYSA-N 425.366 5.057 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 782552316 GODOGSVMIWSCFL-KRWDZBQOSA-N 428.492 5.676 30 20 IKED Cc1cc(-c2ccc(NC(=O)CC(C)(C)C#N)c(C)c2)ccc1NC(=O)CC(C)(C)C#N 783876019 IHHAZJPLKSYXET-UHFFFAOYSA-N 430.552 5.727 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2cccc(Br)c2)n1)c1nccc2ccccc12 792101749 CEKGZDBEFMLVTP-LJQANCHMSA-N 448.345 5.540 30 20 IKED COc1ccccc1-c1ncc(/C=C2/CSc3ccc(Br)cc3C2=O)cn1 792885687 PAQVNEVHZMLUKK-ZSOIEALJSA-N 439.334 5.287 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc(Cl)c1Br 793123261 GUSGNLFIBNIQQZ-MRXNPFEDSA-N 441.712 5.525 30 20 IKED Cc1ccc(N2CCOCC2)cc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 797598957 VTTJDEJIACILDK-UHFFFAOYSA-N 447.922 5.401 30 20 IKED Cc1ccc(CN(C[C@@H]2CCCO2)C(=S)Nc2ccccc2C#N)c(Br)c1 798374643 WXWHTNBEPLUTTM-SFHVURJKSA-N 444.398 5.007 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(Br)c([N+](=O)[O-])c1 800834234 YQLYCMFEICKNLK-UHFFFAOYSA-N 445.342 5.018 30 20 IKED CCc1ccccc1N(C(C)=O)c1nc(COC(=O)c2cc(C#N)ccc2Cl)cs1 803832492 COLDUSAIFHZHKJ-UHFFFAOYSA-N 439.924 5.272 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 804560494 CQIXDKGFEQJPML-IRLDBZIGSA-N 446.636 5.042 30 20 IKED Cc1cc(OC(=O)[C@@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)c(C)c(C)c1C#N 809036203 SJFOOXURDPIUCW-OAHLLOKOSA-N 441.578 5.038 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)ccc1F 810821174 GUSHVEVUMWHMCY-UHFFFAOYSA-N 448.454 5.484 30 20 IKED N#C[C@@H](C(=O)CCSc1ccccc1Br)c1cc(C(F)(F)F)ccn1 813217140 BWDUFBFSAIWJDL-GFCCVEGCSA-N 429.261 5.222 30 20 IKED CC(=O)Nc1cccc([C@H](C)/N=C\c2cc(Br)cc(Br)c2O)c1 914556627 CSVPJLPRDFSZAZ-ZFKRWFGPSA-N 440.135 5.056 30 20 IKED COCc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)sc2cccc(F)c12 915087374 SUCIVQMONFDQIZ-IBGZPJMESA-N 430.504 6.095 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1 915106316 AUCBXAQDTNIYOC-HNNXBMFYSA-N 426.423 5.268 30 20 IKED COc1cc([C@H](C)NC(=O)c2c(C)oc(-n3cccc3)c2C#N)ccc1OC1CCCC1 916074582 NDGJRGANAFUQQO-INIZCTEOSA-N 433.508 5.071 30 20 IKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2cccc(Cl)c2)[n+]2ccccc2)C=C1 916203073 SGRCCDMUXYUGJU-UHFFFAOYSA-O 439.944 5.212 30 20 IKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CC2)cc1 916207150 VSTZTNYHIFEAOT-FQEVSTJZSA-N 443.519 5.211 30 20 IKED Cc1c(Cl)cccc1-n1ccnc1SCC(=O)[C@@H](C#N)c1nc2ccccc2s1 916846521 YGRHLXCRVYWSFP-CQSZACIVSA-N 438.965 5.412 30 20 IKED CCCCOc1c(Cl)cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC 916885121 NEGOCLSNGYLDTM-KRWDZBQOSA-N 449.334 5.532 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 916914619 OWUYIQVWRCTRGK-XMMPIXPASA-N 439.515 5.243 30 20 IKED N#C[C@@H](C(=O)CSc1cccc(C(F)(F)F)c1)c1nc2ccccc2n1C(F)F 917039716 BZZXKGDBTNHMFI-ZDUSSCGKSA-N 425.382 5.419 30 20 IKED C=CCN(Cn1nc(-c2ccc(OC)c(OC)c2)n(C2CCCCC2)c1=S)C(C)C 917484312 ZMBWSZBDSKMKPK-UHFFFAOYSA-N 430.618 5.457 30 20 IKED C=CCn1c(Cc2ccccc2)nn(CN2CCC(C(=O)c3ccc(C)cc3)CC2)c1=S 917488078 FEPMEUPFHHWSLP-UHFFFAOYSA-N 446.620 5.052 30 20 IKED COc1cc(/C=C/C(=O)c2cn(C)nc2C)ccc1OCc1cccc(C(F)(F)F)c1 917520196 HZFHDJFSSBWBAV-VQHVLOKHSA-N 430.426 5.231 30 20 IKED CC1CCN(C(=S)SCC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)CC1 917774546 OEFDXXASIDBHFU-UHFFFAOYSA-N 441.647 5.074 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 918554751 ZHNURQUZJSDBAB-HNNXBMFYSA-N 441.940 5.042 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 919864580 WIKXOLIOPORCQI-UHFFFAOYSA-N 428.448 5.111 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2cccc3ccccc23)cc1 919904789 SPNXZJJDTDGHGY-VSGBNLITSA-N 431.539 6.864 30 20 IKED N#C[C@H](C(=O)CCSc1ccccc1Br)c1nc(-c2ccncc2)cs1 920269385 UAQHORVFVJPKJX-CQSZACIVSA-N 444.379 5.326 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CC4CCCC4)cc3)CCC2)c1 1787616546 BJSSVRHAMPPGQU-LJQANCHMSA-N 429.564 5.642 30 20 IKED N#CCCC(=O)Nc1ccc(C2(NC(=O)C3(c4ccc(Cl)cc4)CCC3)CCC2)cc1 1787888960 SYGOJVSIPPRYRZ-UHFFFAOYSA-N 435.955 5.200 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccoc4Cl)CCC3)cc2)c1 1792124841 LQEYMQGWYBSIGP-MRXNPFEDSA-N 447.922 5.622 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2sccc2Cl)[C@H]1c1cccnc1 1802496664 RLZDEAWUNUWGBN-MJGOQNOKSA-N 446.016 5.109 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@@H](CC)c2ccccc2)[C@H]1c1cccnc1 1806268336 FNOUUEXDCUBSCZ-UODIDJSMSA-N 445.607 5.050 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)c2ccc(C)cc2)[C@@H]1c1cccnc1 1812753904 WQRDPBXWMBEJQR-SDUSCBPUSA-N 447.623 5.192 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ncsc23)[nH]n1 1819306853 HGKSFWKCEMYSIF-JXFKEZNVSA-N 449.580 5.094 30 20 IKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](c2ccccc2)C(C)C)[nH]n1 1822576834 UMDICYIXQIVYKQ-RCZVLFRGSA-N 434.584 5.035 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc(C(C)C)cs2)CC1 1825385454 IDRGDOMEPVVODJ-IRLDBZIGSA-N 443.657 5.268 30 20 IKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3CCCCC3)CC2)c1Cl 1826285731 PHRRYLIHCQVUGB-JOCHJYFZSA-N 442.003 5.025 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1828151375 BWLDXWIVLMFDMF-SBUREZEXSA-N 442.003 5.267 30 20 IKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1829705626 KUCXYRORCXBXOO-VWLOTQADSA-N 434.555 5.302 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1ccccc1Oc1ccccc1)C2 1844203148 XPNUWYKDCATNMW-JOCHJYFZSA-N 430.548 5.064 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)C1 1845671632 RCXWDYMEOOHLKV-FQEVSTJZSA-N 443.547 5.013 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(C)cc2)cc1 10173308 YEJZXGHGXIEXOO-UHFFFAOYSA-O 429.609 5.775 30 20 IKED N#Cc1ccccc1CSc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1 19057894 SAUHTPQVRPGXAI-UHFFFAOYSA-N 448.349 5.256 30 20 IKED CCN(CC)[C@H](CNC(=O)c1ccccc1-c1ccccc1C#N)c1cccc(OC)c1 21072438 HEGPRWBJQHTAPC-AREMUKBSSA-N 427.548 5.047 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2ccc(Br)cc2)n1 21514854 FSABMDVTSJZDOA-JTQLQIEISA-N 444.276 5.162 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3cccs3)no2)nc2cc(Cl)ccc2c1=O 26008291 UVMFUAZIHFWJRX-NSHDSACASA-N 430.942 5.201 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccnc(OCc4ccccc4)c3)c2)c1 65088590 RPYWWANGNRHOCX-UHFFFAOYSA-N 448.482 5.037 30 20 IKED CN(C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1)C1CCCCC1 72001272 LIMZIPZXTIQSAB-UHFFFAOYSA-N 437.543 5.882 30 20 IKED CC(C)(C)c1ccccc1OCC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 104878892 ANHJUANAGQQMQM-UHFFFAOYSA-N 438.578 5.017 30 20 IKED N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC(C(=O)c2ccc(Cl)cc2)CC1 195594024 YWRZGRDYLVEFKB-UHFFFAOYSA-N 428.294 5.652 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C 303240970 BJQIWLZDCFTMSG-MRXNPFEDSA-N 427.520 5.856 30 20 IKED CCOc1ccccc1Oc1ccc(C/N=C(/N)Nc2ccccc2OC(F)(F)F)cn1 305224450 KFEKXORLGHPJGQ-UHFFFAOYSA-N 446.429 5.098 30 20 IKED O=C(Nc1ccc(Br)cc1C(F)(F)F)c1cccc(C(F)(F)F)c1F 393150561 HDMGFXBFOUCYCR-UHFFFAOYSA-N 430.117 5.878 30 20 IKED O=C(NC1CC(F)(F)C1)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 429599413 DKLPAXNBEOUWJU-SNVBAGLBSA-N 444.244 5.425 30 20 IKED N#CCCC[C@H](NC(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccccc1 433290811 XRJSTTQDRWKAQE-FQEVSTJZSA-N 427.430 5.448 30 20 IKED CC(C)(C#N)CCCCS(=O)(=O)Cc1csc(-c2ccc(Br)cc2)n1 436088799 NLAILKFLBIIHHB-UHFFFAOYSA-N 441.416 5.207 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 436324937 MVCAEVWYTVYPCB-URXFXBBRSA-N 425.463 5.402 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)Nc2c(F)cccc2Br)cc1 438460496 XREUPUCNWPQWHG-UHFFFAOYSA-N 427.298 5.863 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(C#N)cc1OC(F)F 439546052 UYSHIUDFDSHNDF-AWEZNQCLSA-N 447.532 5.426 30 20 IKED N#CCC[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1 439666875 QGLWSNHTSBTWMP-IBGZPJMESA-N 428.319 5.742 30 20 IKED CCCc1c(NC(=O)Nc2cnn(CC(C)C)c2C(C)C)cnn1-c1cccc(C#N)c1 439679963 ZAQSJOSHKQTHON-UHFFFAOYSA-N 433.560 5.316 30 20 IKED COc1ccc2c(c1)CN(C(=O)N[C@H](CCC#N)c1ccccc1)[C@H](c1ccccc1)C2 440249648 XLWIXVIIIBGHLI-FTJBHMTQSA-N 425.532 5.549 30 20 IKED N#CC1CCC(CNC(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)CC1 441664587 BKYMSDNYQUGQAI-ZSHKSDETSA-N 430.552 5.115 30 20 IKED CC[C@@H](C)[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(Cl)cc1 442122807 JJADVVFOPLBXBE-XIKOKIGWSA-N 437.849 5.073 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CC[C@@H]4CCC[C@@H]4C3)cc2Cl)cc1 442379644 KGCAXQPLCOPBPT-RCCFBDPRSA-N 437.927 5.027 30 20 IKED CC(C)C(=O)N(C)Cc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 442667784 AKUXASULRJYGPF-QGZVFWFLSA-N 425.941 5.054 30 20 IKED CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1ccccc1Cl 460717374 JJPQTYMIEDREOV-QFIPXVFZSA-N 435.959 5.238 30 20 IKED CC(C)c1ccc([C@@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC2)cc1 461589482 AFURPROIGNLXPE-BWKNWUBXSA-N 441.579 5.318 30 20 IKED C=CCn1c(SCc2ncc(-c3ccc(C)cc3)o2)nnc1[C@H]1COc2ccccc2O1 463037364 UCKDYNIOFNDOSW-OAQYLSRUSA-N 446.532 5.232 30 20 IKED O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1c(F)cc(C(F)(F)F)cc1F 463267676 RQFUOVKWFRQFFT-UHFFFAOYSA-N 433.682 5.830 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 463537259 TYUSUJOBENUVDA-AWEZNQCLSA-N 437.858 5.009 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1C 465464111 DCROQWGJSLAQNW-PKOBYXMFSA-N 432.490 5.179 30 20 IKED N#Cc1ccc(C[C@H](C#N)C(=O)Nc2nc(-c3ccccc3C(F)(F)F)cs2)cc1 470976627 RWQQURILUDXYQK-OAHLLOKOSA-N 426.423 5.022 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3ccc(N[C@@H](C)c4ccccc4)cc3)C2)n1 471998258 MQKAORPRBGHZBT-REWPJTCUSA-N 439.563 5.290 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)nc(C)n3Cc2ccsc2)cc1 472644785 VSDWFYWBPIVWGS-UHFFFAOYSA-N 445.548 5.014 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C(=O)NCc2ccc(C)cc2)CC1 475552017 ZPUPTKXXLWZMKS-UHFFFAOYSA-N 433.596 5.407 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1nc(-c2ccccc2)no1 476202323 YXMQPMAVYRDIMQ-HZPDHXFCSA-N 438.578 5.564 30 20 IKED Cn1cc(CNCc2ccccc2COc2ccccc2Cl)c(-c2ccc(C#N)cc2)n1 478252021 GMOQANXZTSBHMK-UHFFFAOYSA-N 442.950 5.481 30 20 IKED Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 480505915 LDMNGJOHZJZGIQ-UHFFFAOYSA-N 434.499 5.349 30 20 IKED C=C(C)[C@H](N[C@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc(F)c(F)c1 480669478 XLTDRZVATVOHQX-MWTRTKDXSA-N 446.519 5.004 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)cc1 482209995 MWRPGELWOZIWDA-QUCCMNQESA-N 432.511 5.949 30 20 IKED N#CC1CCN(C(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CC1 482345724 MJNOLKKQHOGVFZ-ZDUSSCGKSA-N 447.301 5.273 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(F)cc(F)c1Br 482368551 NKINFTVXTKNKPF-UHFFFAOYSA-N 427.293 5.115 30 20 IKED C=CCOc1cccc(NC(=O)N(Cc2cc(C)nc(N3CCCCC3)n2)CC(C)C)c1 482960387 RHRBSLKLAAFSNZ-UHFFFAOYSA-N 437.588 5.030 30 20 IKED N#CCCC[C@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1ccccc1 487213239 VHMQPSQHVFOUPI-QHCPKHFHSA-N 438.531 5.167 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 488016109 VROAGVLIVCHMRI-AREMUKBSSA-N 444.506 5.098 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2cc3ccccc3o2)nnc1-c1ccccc1C 488887279 YQJNIPQXWYZSSH-GOSISDBHSA-N 446.576 5.497 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(CCC#N)Cc1ccco1 490630895 PJEXSPULCFFZQD-HNNXBMFYSA-N 429.929 5.152 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NCC[C@H](c3ccccc3)C(F)(F)F)cc2)nc1 490849015 GCQAFQJFKNLVNN-HXUWFJFHSA-N 425.410 5.212 30 20 IKED CCN(C(=O)CSc1nc(C)c(C)c(C)c1C#N)[C@@H](c1ccc(C)cc1)c1cccnc1 496556819 UPZBTTWHDSTPKZ-VWLOTQADSA-N 444.604 5.312 30 20 IKED N#C[C@@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(Cl)cc1 499834146 BUJDVIAYDHFAFK-HSZRJFAPSA-N 444.897 5.255 30 20 IKED CCCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H](C)CC(=O)Nc1ccccc1 500689695 VUIWDMOZARTFBP-LJQANCHMSA-N 442.519 5.015 30 20 IKED Cc1nc([C@H]2CCCCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)no1 500779486 JQJBUMZPZQLSQA-JOCHJYFZSA-N 431.496 5.500 30 20 IKED COc1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)ccc1OC(F)F 501472489 FHKGBEHATBFDSK-UHFFFAOYSA-N 438.430 5.194 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1ccc(COc2ccccc2C#N)o1 501594941 RKXVDXQVHYAFDT-INIZCTEOSA-N 443.528 5.653 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(Oc3ccccc3)cc2)c1C#N 501742501 CBCPNRVLPQDDDC-UHFFFAOYSA-N 426.501 5.510 30 20 IKED Cc1onc(-c2cccc(Br)c2)c1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 503177377 CJQJYGQPUPNHFQ-AWEZNQCLSA-N 430.327 5.483 30 20 IKED C=CCn1c(SCc2cn3cc(Cl)cc(Cl)c3n2)nnc1-c1ccccc1OC 503229378 GMFGCNLMIFZWHW-UHFFFAOYSA-N 446.363 5.387 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1nc(-c2ccc(C)s2)c(C)s1 504834939 GUIIOTWKELFMCB-UHFFFAOYSA-N 427.551 5.166 30 20 IKED Cc1ccc(-c2csc(CS(=O)(=O)Cc3ccc(-c4ccccc4C#N)cc3)n2)cc1 507859652 NFGNFCMVZFCCLK-UHFFFAOYSA-N 444.581 5.772 30 20 IKED C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(OC(C)(C)C)CC1 508854352 CDTCFUXPAXOHKA-UHFFFAOYSA-N 426.605 5.259 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCCC[C@H]1c1ccncc1 510874276 YPOMNDHXJRSZLC-VWLOTQADSA-N 426.520 6.203 30 20 IKED C[C@@H](c1ccccc1F)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 511556870 UZRIGLDEHOZTOZ-JTQLQIEISA-N 436.327 5.021 30 20 IKED CC(C)c1cnc(-c2ccc(NC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)cc2)o1 512709665 DCUBZDQYVLAJJY-UHFFFAOYSA-N 432.499 5.331 30 20 IKED CC(C)Oc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cs2)cc1 512959245 WSPJZQAOLQGJFY-SFHVURJKSA-N 446.557 5.606 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N[C@@H](Cc3ccccc3)c3cccs3)CC2)c(F)c1 513018501 ZXWSQARCAJDELS-QFIPXVFZSA-N 433.552 5.075 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 514436372 AUOXAUGAPTXJSU-QFIPXVFZSA-N 442.950 5.666 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3cc(Br)cs3)cc2)c1 517530253 MUCLHIZUSDIABJ-UHFFFAOYSA-N 428.311 5.496 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nncn1-c1cccc(Cl)c1 518130070 IFWAQXHHUKEDNU-AWEZNQCLSA-N 443.985 5.046 30 20 IKED CC(C)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)nn1C(C)(C)C 518668394 ABMOPCYRNFAUOD-UHFFFAOYSA-N 438.519 6.038 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](c3ccc(F)cc3)[C@@H]3CCCO3)cc2)cc1 520050379 DMFIGXUKFXRBPW-ZEQRLZLVSA-N 431.467 5.531 30 20 IKED N#C[C@@H](NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 520271413 KUZUFJOFHKWMGQ-MRXNPFEDSA-N 439.224 5.193 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)s2)cc1 520691911 HMUKVSAMPJPGEA-UHFFFAOYSA-N 438.431 5.112 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 520827626 QUHBOJXHYFOORL-INIZCTEOSA-N 447.560 5.119 30 20 IKED CCN(Cc1ccc(OC)cc1OC)C(=O)c1ccccc1SCc1ccc(C#N)cc1 521745619 HYFYMRBOTQEVJI-UHFFFAOYSA-N 446.572 5.530 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1c[nH]c2ccc(Cl)cc12 523501762 PPEBKRNZXYIOEY-UHFFFAOYSA-N 437.874 6.027 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1Oc1ccncc1 523797240 SHXZCBRNQZZBIE-FQEVSTJZSA-N 445.931 6.449 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cc3c(cc2F)CCC(=O)N3)c1 523880623 NWIQXQWCRZCYPT-UHFFFAOYSA-N 435.842 5.280 30 20 IKED C[C@@](C#N)(CCc1ccccc1)NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 532687391 SJCZJJHCCPGUCS-QFIPXVFZSA-N 443.494 5.403 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cnc(-c4cccnc4)s3)cc2F)c1 534137918 OGVNCQPJLNYRBK-UHFFFAOYSA-N 430.464 5.047 30 20 IKED C=C[C@@H](CC(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccccc1 535363580 CMUGNCNBWGPJLY-PMACEKPBSA-N 430.523 5.544 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 540877437 WEYNSLWIULAECY-UHFFFAOYSA-N 425.488 5.229 30 20 IKED N#CCC1CCN(C(=O)N[C@@H](c2cccc(F)c2)c2cccc(Br)c2)CC1 542896148 QWOHHXPANHZSJL-HXUWFJFHSA-N 430.321 5.013 30 20 IKED C=CCN(C(=O)c1cc(C(=O)OC)co1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 544678190 JJXLJVUXUGTAMH-UHFFFAOYSA-N 437.304 5.329 30 20 IKED CC[C@@H](CC(F)(F)F)NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 544832959 KPPVQDHHRZFPMI-JTQLQIEISA-N 447.301 5.371 30 20 IKED N#CC1(c2ccccn2)CCN(c2ccnc3c(Cl)cc(Br)cc23)CC1 548822169 OBIGXCGYZRJYGB-UHFFFAOYSA-N 427.733 5.107 30 20 IKED C[C@@H]1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)c2cc(C(F)(F)F)ccc2S1 549917671 PQZCVDOUXBBNDU-SNVBAGLBSA-N 445.388 5.522 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1c(F)ccc(OCC)c1F 550865529 FJMGAYSTEKVQKO-UHFFFAOYSA-N 443.263 5.485 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 558962532 BWSXQYAUXIHPKZ-UHFFFAOYSA-N 444.486 5.181 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 562001969 YULWBBYJMMNHIA-OZOXKJRCSA-N 427.545 5.604 30 20 IKED COCc1nc(Cc2noc(-c3cccc(Oc4ccc(Cl)cc4C#N)c3)n2)cs1 570366136 UMCOPTJDURIGDC-UHFFFAOYSA-N 438.896 5.248 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC(c2cccc(F)c2F)CC1 576085635 YXDPAUWMYUYXPY-INIZCTEOSA-N 429.536 5.035 30 20 IKED CC(C)(C(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1)c1cc(F)cc(C#N)c1 582320991 YTPJQQHRNQWGNA-UHFFFAOYSA-N 439.943 5.337 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc2ccccc2n1 603835773 VJRXSTARNQQLNJ-IBGZPJMESA-N 443.846 6.079 30 20 IKED CCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1[N+](=O)[O-] 603836638 RBPBCQOKOLUCKP-HNNXBMFYSA-N 427.869 5.260 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1cc(C#N)cn1C(C)(C)C 603935192 MNKGBULOYYGQFQ-UHFFFAOYSA-N 428.945 5.364 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c1 604134546 KFXJFINKASGTII-IBGZPJMESA-N 427.460 5.376 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1 604243888 KKGXJBSYBQAQCX-HSZRJFAPSA-N 435.527 5.638 30 20 IKED Cc1cc(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)n(CCC#N)n1 604480735 PAXAGNDHCASXLU-UHFFFAOYSA-N 433.462 5.103 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1nc2ccccc2s1 609061446 CERLCEDNBPIDPN-UHFFFAOYSA-N 427.529 5.627 30 20 IKED C[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1cc(F)c(Cl)cc1Cl 609092066 UHRQNQGRXBVEHB-CQSZACIVSA-N 436.314 5.037 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)cc1 609107083 HOOIAFBVHDCDPL-UHFFFAOYSA-N 432.983 5.086 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCCc1ccc2c(c1)CC(=O)N2 609215956 VBJPFHBACPAEPT-UHFFFAOYSA-N 441.506 5.057 30 20 IKED N#C[C@@H](NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1)c1ccc(Cl)c(Cl)c1 609460580 VFJUQEGTGXJLHO-KBXCAEBGSA-N 445.375 5.201 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3CCCc4cc(OC(F)F)ccc43)cc2)nc1 609502581 LUOXKYJXNHLNDI-NRFANRHFSA-N 435.430 5.154 30 20 IKED CCCNC(=O)c1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1Cl 609643040 BNXCHRQOIMWPTQ-UHFFFAOYSA-N 447.922 5.183 30 20 IKED CN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc(Br)cn1 609723611 LYJJSRKVRSUDLP-UHFFFAOYSA-N 442.700 5.438 30 20 IKED CCO[C@@H](C)c1nc(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cs1 609754790 FONZPEWNOZGTMC-KRWDZBQOSA-N 435.549 5.181 30 20 IKED Cc1ccc(-n2c(=O)c3ccccc3n3c(S[C@@H](C)c4ccc(C#N)cc4)nnc23)cc1 609813650 WZNRTBKATBKPTO-KRWDZBQOSA-N 437.528 5.067 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(c4c[nH]c5ncccc45)CC3)cn2)c1 610321276 ORADCSZBSSAWNX-UHFFFAOYSA-N 438.491 5.033 30 20 IKED CN1CC[C@H](CNC(=O)c2c(Cl)cc(C#N)cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 611197922 KTNGWIJUBYLKJS-YJYMSZOUSA-N 440.733 5.080 30 20 IKED CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 612563844 JYCYZADTTWBKFQ-GMAHTHKFSA-N 446.482 5.269 30 20 IKED N#C[C@@H](C(=O)c1ccccc1NC(=O)c1ccsc1)c1nc2ccccc2n1C(F)F 613404920 WOMASRCZMLUNEJ-HNNXBMFYSA-N 436.443 5.235 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)CC2)cc1 615481985 DTTUZDGZXVMIBM-UHFFFAOYSA-N 444.560 5.041 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1 619342906 DXAJXNYBDVARGI-QFIPXVFZSA-N 442.563 5.394 30 20 IKED C=CCN(C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)c1ccccc1 647741987 UNJATBKKPZYRBN-UHFFFAOYSA-N 439.309 5.056 30 20 IKED O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 674646466 CQDFZGRAPNDJMV-WRWGMCAJSA-N 428.339 5.127 30 20 IKED C=CCOc1cc(OC)ccc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 680985952 RISLUSQAIJFKMI-OAHLLOKOSA-N 432.423 5.379 30 20 IKED O=C(c1cc(F)c(Br)cc1Cl)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 684451682 FFXTZMNBVGQERD-BQBZGAKWSA-N 442.556 5.054 30 20 IKED N#Cc1ccc(NC(=S)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1Cl 726477623 SOROQKIQXKTAHT-UHFFFAOYSA-N 441.343 5.926 30 20 IKED Cc1ccc(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2ccc(C(C)(C)C)cc2)cc1 726572050 OLGWADVNFQGAKL-UHFFFAOYSA-O 446.596 5.087 30 20 IKED N#C[C@@H](C(=O)[C@H](OC1CCCC1)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 727039327 WKOYOTFYFFBUIJ-LAUBAEHRSA-N 444.478 6.192 30 20 IKED FC(F)Oc1ccc(-c2nnc(S)n2N=Cc2ccc(Cl)c(C(F)(F)F)c2)cc1 727255983 GCULGUCTIVICMP-UHFFFAOYSA-N 448.804 5.390 30 20 IKED COC(=O)c1ccc(/C=C/C(=O)c2sc(-c3ccc(Br)cc3)nc2C)o1 727780286 JKJRMNWJHZCFSO-VQHVLOKHSA-N 432.295 5.157 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(OCc2cccnc2)cc1 728496965 IFSDGCNEVFRLCA-UHFFFAOYSA-N 437.524 5.936 30 20 IKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CCC2)c1 730460939 IVYHJNOHWLNNHH-HXUWFJFHSA-N 443.519 5.040 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCCC2)cc1F 730534646 RGVLCRSUFZFWGC-FQEVSTJZSA-N 443.519 5.176 30 20 IKED Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)o2)c1 732377213 DKBYYQIWDJTIEI-GOSISDBHSA-N 439.471 5.821 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2cc3ccccc3c3cccnc23)ccc1OC 733228945 SGCIASXPLOSHLQ-LJQANCHMSA-N 425.488 5.008 30 20 IKED Cc1cc(S[C@H](C)C(=O)OCc2ncc(C(C)C)o2)n2c(nc3ccccc32)c1C#N 733413290 UGOCMVCOTYLILD-OAHLLOKOSA-N 434.521 5.003 30 20 IKED N#C[C@H](C(=O)COC(c1ccccc1)c1ccccc1)c1nc(-c2ccncc2)cs1 734082988 KEHUWIJAPDDZIC-OAQYLSRUSA-N 425.513 5.188 30 20 IKED Cc1cc(-c2csc(=Nc3ccccc3C#N)n2[C@H]2CCC[C@H](C(=O)N(C)C)C2)c(C)[nH]1 734091715 BZDPIPBRADUJJY-ICSRJNTNSA-N 447.608 5.085 30 20 IKED COC(=O)NCc1ccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 735366800 ZDTOIDOJEFIRRX-OAQYLSRUSA-N 448.910 5.495 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)COc3ccc4cc(Br)ccc4c3)[nH]c12 735793109 QFCIZECKOGLTBM-GOSISDBHSA-N 434.293 5.042 30 20 IKED CN(Cc1ccc(Br)cc1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740060633 WIXKOSILBRMWHE-UHFFFAOYSA-N 440.366 5.391 30 20 IKED Cc1c(C(=O)/C=C/c2c(-c3ccccc3)nn(C)c2Cl)cnn1-c1ccc(C#N)cc1 741852118 JVYARIZIBVGDNB-OUKQBFOZSA-N 427.895 5.002 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C\c3ccc(OCC(F)F)cc3)SC2=S)cc1Cl 743281866 GSOBLRCGMYTAQC-FRKPEAEDSA-N 436.892 5.261 30 20 IKED C[C@@H](CCc1ccccc1F)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 744027809 DUFBITHIFBVCOX-RXVVDRJESA-N 430.479 5.534 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 744029430 SOPNDXDLILCNPI-IZLCOFNUSA-N 428.454 5.581 30 20 IKED Cc1ccc(-c2nnc([C@H](C)OC(=O)c3occc3COc3cccc(C#N)c3)o2)cc1 744926802 MFLAOFCZLQCECJ-INIZCTEOSA-N 429.432 5.007 30 20 IKED Cc1cc(COc2ccc(/C=C\C(=O)c3ccc(-c4ccncc4)cc3)cc2)oc1C(=O)O 745990133 LAWYLLJFAAVMJE-WCIBSUBMSA-N 439.467 5.823 30 20 IKED C#CCN(Cc1ccc(F)cc1)C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 750731299 PAFDSGQGXRDVPR-UHFFFAOYSA-N 432.442 5.173 30 20 IKED C[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)[C@@H](C)c1ccccc1C(F)(F)F 754486910 ZQFGCDPMJKBRIS-VKJFTORMSA-N 438.453 5.024 30 20 IKED C#CC[C@H](NCc1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1)c1ccccc1 756997844 OFOZEBKDJKBLON-QFIPXVFZSA-N 448.950 5.220 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)cc1 757303144 DBSOFRIWZRMWAP-OAQYLSRUSA-N 429.863 5.274 30 20 IKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(C2CC(F)(F)C2)C1=O)Nc1ccccc1 757894086 HJNGBCQTFHFPMH-KRWDZBQOSA-N 449.910 5.098 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2ncc(C(C)(C)C)s2)n(Cc2ccco2)c1C 759714374 OOGROHYECOOABQ-UHFFFAOYSA-N 428.583 5.103 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(Br)c(C(F)(F)F)c1 769684862 PXRSLJFBTMHJGI-UHFFFAOYSA-N 448.242 5.217 30 20 IKED CCCN(C)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 770102663 VAURJPKEPUMCNF-QFIPXVFZSA-N 427.504 5.286 30 20 IKED COc1ccccc1-c1nnc(S)n1N=Cc1ccc(SCc2ccccc2)cc1 771872433 VMOPCPYQWNSWAF-UHFFFAOYSA-N 432.574 5.417 30 20 IKED Cc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)ccc1NC(=O)OC(C)(C)C 772064018 KAOWPGNKPFZIKM-UHFFFAOYSA-N 444.491 5.653 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCc3c(F)ccc(Br)c32)ccc1OC 772984944 HCUBTQATYWEEDQ-KBXCAEBGSA-N 433.321 5.055 30 20 IKED CC(C)(C)OC(=O)N1CCc2cc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)ccc21 777311510 KWGVGPOGEPYIPB-INIZCTEOSA-N 437.496 5.223 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@@H](CCC#N)c1ccccc1 777602270 ISVVRQHLHUVOJZ-GOTSBHOMSA-N 448.567 5.755 30 20 IKED C[C@@H](C#N)Oc1ccc(CN[C@H](CC(F)(F)F)c2ccc(Br)cc2)cc1 778218130 OWNQEPIPCZRGKE-SCLBCKFNSA-N 427.264 5.523 30 20 IKED CC(C)[C@@H]1C[C@@H](CC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c2ccccc21 786277037 PBTBSPSXGJDPIO-RYGJVYDSSA-N 445.588 5.769 30 20 IKED CC[C@@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(CSc2nc(C)cs2)cc1)c1ccccc1 787041599 PMWXZRGBTYLZFF-LEWJYISDSA-N 449.601 5.334 30 20 IKED CC(=C/c1cccc([N+](=O)[O-])c1)/C=C/C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 787170768 BNUPMRYXOOROJK-TWDLCZSNSA-N 425.506 5.154 30 20 IKED C#CC[C@@H](NC(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1)c1ccccc1 788788022 CXHHYOKQXYKUGA-GOSISDBHSA-N 427.291 5.462 30 20 IKED O=C(/C=C/c1cc(Br)c(Cl)s1)c1c(F)cccc1N1CCOCC1 790219540 LXNLVVXLKCTWPM-SNAWJCMRSA-N 430.726 5.036 30 20 IKED O=C(C#Cc1ccc(C(F)(F)F)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 790282235 AQYISRHMEKACNO-WDNDVIMCSA-N 431.298 5.083 30 20 IKED N#C[C@H](C(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1)c1nccc2ccccc12 792097897 YVESLKYONUNJPS-ZEQRLZLVSA-N 435.483 5.079 30 20 IKED Cn1cc2c(n1)CC/C(=C\c1cccc(NC(=O)c3ccc(Cl)cc3Cl)c1)C2=O 794961305 FAEKTBQJASJIHW-NTEUORMPSA-N 426.303 5.192 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)[C@@H]1OCCc2sccc21 796806987 JXLXBLDAAVHFFI-YZRASEIHSA-N 430.501 5.276 30 20 IKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC(F)(F)F)c1 799215547 MYXQVGMBHBDBSK-SFHVURJKSA-N 449.498 5.134 30 20 IKED N#Cc1ccccc1/C=C/C(=O)Oc1ccc(NC(=O)c2ccccc2Br)cc1 799761829 PORGEBZCNREPLM-NTEUORMPSA-N 447.288 5.192 30 20 IKED O=C1Nc2cccc(C(F)(F)F)c2C1=NNc1ncnc2sc(-c3ccccc3)cc12 800807587 ZZUZBMOIXVDMGE-UHFFFAOYSA-N 439.422 5.145 30 20 IKED C#C[C@@H](NC(=O)c1ccc(NC(=O)c2cccs2)c(C)c1)c1ccc(Cl)cc1F 804417740 RYKPCZNMDDYJSA-GOSISDBHSA-N 426.900 5.206 30 20 IKED CC(=O)c1oc2cc(C)ccc2c1CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 805856518 XECKSYNCQVALDN-INIZCTEOSA-N 443.286 5.141 30 20 IKED C#C[C@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(Cl)cc1 811963002 FBQXMKUTSKRXTI-MXYBEHONSA-N 426.788 5.223 30 20 IKED C[C@H](Nc1ccc([C@@H](O)C(F)(F)F)cc1)c1ccc(OC(F)F)cc1OC(F)F 864024072 XSPKTCITZUSOHA-BJOHPYRUSA-N 427.316 5.658 30 20 IKED CC(C)(C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 883977767 VTWULHLFDWCAJA-CHWSQXEVSA-N 449.357 6.009 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CCCCC#N)c1nc(-c2cc(Br)cs2)no1 904395490 GZZNLBGHRZZBGN-LBPRGKRZSA-N 441.351 5.210 30 20 IKED CC(C)(C)c1ccc(-c2nn(CN(CCC#N)CCC#N)c(=S)n2Cc2ccco2)cc1 913055619 QMYUKSMNTWIMIN-UHFFFAOYSA-N 448.596 5.107 30 20 IKED CC(=NOCC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccc(NC(=O)C2CC2)cc1 914572234 ITPDVXRTALNBCC-UHFFFAOYSA-N 427.504 5.081 30 20 IKED N#C[C@H](C(=O)COc1ccc(Cl)c2ccccc12)c1nc2ccccc2n1C(F)F 915107373 RQNOABBVDAYFLB-OAHLLOKOSA-N 425.822 5.493 30 20 IKED COc1cc(CNCc2ccc(C#N)cc2)ccc1OCc1ccc(Cl)cc1Cl 915682010 OASVHWXBXUCLOQ-UHFFFAOYSA-N 427.331 5.742 30 20 IKED COc1ccc(C(=O)/C=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c(F)c1 916141209 FMOGQWKLKPFIQN-WZUFQYTHSA-N 437.423 5.226 30 20 IKED CCN1CCN(c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)CC1 916564865 ACCVIAWMTYWEHU-UHFFFAOYSA-N 442.588 5.104 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1F 916683732 GVLFNCLYRGOSPW-HXUWFJFHSA-N 437.902 5.807 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)c1 916896958 RHZJFTQXLBXILG-IBGZPJMESA-N 448.935 5.318 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)cc1 916950638 VEKQFLOYWJGGNV-GLDPYIMESA-N 441.531 5.696 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1 917025435 KIIGWMXKXXKHLG-LJQANCHMSA-N 429.570 5.969 30 20 IKED CCOC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917045588 YFXKFMLHNQVUIN-AWEZNQCLSA-N 433.411 5.374 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 917713008 BUFWMAWUJVJFEX-UHFFFAOYSA-N 443.142 6.548 30 20 IKED CC(C)c1nn(CN(Cc2ccc(C#N)cc2)CC(F)(F)F)c(=S)n1Cc1ccco1 921188703 DZDSULKSRRUUSQ-UHFFFAOYSA-N 449.502 5.072 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccsc4)cc3)CCC2)c1 1787285927 ICTGNLPDRBMXDX-KRWDZBQOSA-N 429.545 5.437 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)C3(C(F)(F)F)CCC3)cc2)CCC1 1787938901 PJWVDUSLRNEKSJ-UHFFFAOYSA-N 430.417 5.065 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)cc3Cl)CCC2)cc1 1790569766 RFGMMBHWSUPREV-QGZVFWFLSA-N 441.959 5.197 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3c(F)cc(Cl)cc3Cl)cc2)CCC1 1790721002 UJNBYQCVQGBFDJ-UHFFFAOYSA-N 433.310 5.294 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cccc4cc(C)[nH]c34)CCC2)cc1 1791298696 QIECYSXHIGFIPP-UHFFFAOYSA-N 437.490 5.435 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Br)c(C)c1)C2 1798592200 KOFIFCBFASKXDE-REPLKXPHSA-N 447.417 5.002 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(F)c(C(F)(F)F)c1)C2 1798594022 YEHGLLMIJUJROD-BJWYYQGGSA-N 440.481 5.089 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2cccc(C)c2)[C@H]1c1cccnc1 1802490304 DRRWKFRKJQYUOX-AHWVRZQESA-N 447.623 5.021 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cccc4ccn(C)c34)CC2)C1 1804858905 WIKWWZXNDQMPGK-UHFFFAOYSA-N 435.612 5.016 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3cccc(Cl)c3)CCCC2)n[nH]1 1822315419 PLQZCPIVYFBGCC-HXUWFJFHSA-N 440.975 5.143 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)CC1 1824142491 STIVHYWMAKOADP-SANMLTNESA-N 447.623 5.478 30 20 IKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 1824541557 FMRANMKKCMQIEF-UDIDDNNKSA-N 436.706 5.023 30 20 IKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccoc2C)CC1)c1ccccc1 1829029619 DHESYPUETIEBCM-UIOOFZCWSA-N 446.591 5.019 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)CC1 1829701026 DGRXSSFIVOTYLZ-HTAPYJJXSA-N 442.987 5.532 30 20 IKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)CC1 1830423797 FZBCJOHAUVJWHM-DEOSSOPVSA-N 428.661 5.406 30 20 IKED CC(C)=CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830722748 PSISOXPOEXBUBK-HSZRJFAPSA-N 442.003 5.191 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(C)CCCC3)CC2)c1 1832629459 RBCBRGNCPJQPIP-YKSBVNFPSA-N 435.612 5.127 30 20 IKED CCCCSc1nnc(SCC(=O)N(CCC#N)c2cccc(Cl)c2)s1 11417502 CQELTRNYEWYMDP-UHFFFAOYSA-N 427.020 5.123 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2ccc(C)c(F)c2)cc1 15247856 IPJJIGZQYYLVNK-UHFFFAOYSA-O 437.560 5.434 30 20 IKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C)cc2C)[n+]2cccc(C)c2)c1C 28793454 QZQQCYFJTDBMAZ-UHFFFAOYSA-O 434.585 5.098 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3nn(-c4ccccc4)c4c3CCC4)c2)c1 32290071 YTWCAAHEMYRSIW-UHFFFAOYSA-N 434.499 5.064 30 20 IKED C=CCN(Cc1cccs1)C(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 61212263 ANQLNCPEQKLPLN-UHFFFAOYSA-N 448.632 5.409 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)c1nc(-c2ccncc2)cs1 195662408 NAQZLQITHGAFGB-MRXNPFEDSA-N 436.949 5.401 30 20 IKED CN(Cc1cccc(Cl)c1)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 255947624 QMIBBZVHISVPFH-UHFFFAOYSA-N 449.963 5.215 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)Cc1csc(Cc2ccc(F)cc2)n1 303310402 QTOMVXKOMKFXBD-OAHLLOKOSA-N 425.554 5.306 30 20 IKED COc1ccc(CC[C@H]2CCCCN2C(=O)Nc2ccc(C#N)cc2Cl)cc1OC 426161487 NTPZXVAQACWOHI-GOSISDBHSA-N 427.932 5.248 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C4CC4)nc4ccc(F)cc34)n2)cc1 435459941 WCKGJZOMDLYIIP-HXUWFJFHSA-N 443.503 5.873 30 20 IKED CC(C)Oc1ccc(NC(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)cc1C#N 435561709 XJZPWIFKFUDNHP-SFHVURJKSA-N 430.508 5.202 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)cc1 436145317 HPEMVHKASDJKPL-UHFFFAOYSA-N 428.454 5.190 30 20 IKED CC(C)(C)n1ncc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1C(F)(F)F 437464035 WGXLXYPPJBXZPQ-UHFFFAOYSA-N 446.404 5.712 30 20 IKED C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 437951124 HMMXCRBPZYOTCE-OSPHWJPCSA-N 447.485 6.030 30 20 IKED CO[C@H](C)C(=O)Nc1cccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 438662940 AZPJBLJSIWYPBB-OAHLLOKOSA-N 448.454 5.107 30 20 IKED CCCc1c(NC(=O)N(C)[C@H](C)c2sc(CC)nc2C)cnn1-c1cccc(C#N)c1 439667506 YOKUIXLATIKXSX-MRXNPFEDSA-N 436.585 5.249 30 20 IKED CCCc1c(NC(=O)N2CCC[C@H]2c2cccc(Cl)c2)cnn1-c1cccc(C#N)c1 439668559 NYSQHYKGVWJKJO-QFIPXVFZSA-N 433.943 5.719 30 20 IKED CCCc1c(NC(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)cnn1-c1cccc(C#N)c1 439688278 PWLSSYWXAKYERQ-XDHUDOTRSA-N 431.515 5.451 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)Nc2cccc(CSCc3ccccc3)c2)cc1 440903777 UFMIOKFIPBXECK-UHFFFAOYSA-N 443.572 5.498 30 20 IKED C=CC[C@H]1N(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CCCC1(C)C 443872290 ZNVSLWFWLYYGSH-HXUWFJFHSA-N 436.518 5.151 30 20 IKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)c12 443878525 MITUZXSZTWLLMA-UHFFFAOYSA-N 435.409 5.087 30 20 IKED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 460774352 BZTFSOYLUYBACB-RRMPHLOHSA-N 438.469 5.046 30 20 IKED C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H]1c1csc(C)n1 460951160 VFZMJRZLYFMYNQ-GOSISDBHSA-N 431.512 5.229 30 20 IKED Cc1cnn(Cc2ccccc2F)c1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 470191093 SLZNLBVBQTYWBL-UHFFFAOYSA-N 426.451 5.295 30 20 IKED CC(C)(Cc1ccccc1Cl)NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470540563 XIOMPQLKZSCSQJ-UHFFFAOYSA-N 438.959 5.066 30 20 IKED N#C[C@H](C(=O)c1cnc(Cc2ccccc2F)s1)c1nc2cc(Cl)ccc2s1 478102983 QBFVATTZALIIFM-CYBMUJFWSA-N 427.913 5.626 30 20 IKED CCc1ccc([C@@H]2COCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)o1 480354255 HHGBZAYSODJVLD-GMAHTHKFSA-N 449.938 5.756 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nccc4ccccc34)c3cnn(C(C)C)c3n2)cc1 483242898 VKSUAAXZXSUIDI-QHCPKHFHSA-N 445.526 6.026 30 20 IKED O=C(N[C@H](c1cc(F)ccc1F)C(F)F)N[C@H](c1c[nH]c2ccccc12)C(F)(F)F 483857436 OMRCHGIPZUWSJB-HZPDHXFCSA-N 433.327 5.355 30 20 IKED C=CCN(CC1CCCCC1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 485248124 UAASGYZSQZJXAN-UHFFFAOYSA-N 427.599 5.302 30 20 IKED COc1ccc(NC(=O)[C@H](Sc2nc(C(F)(F)F)ccc2C#N)c2ccccc2)cc1 488737909 SLVSGVDNYYDOJM-LJQANCHMSA-N 443.450 5.453 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2cccc3ccccc23)o1 488880211 UCFVCHHPDLTIJR-UHFFFAOYSA-N 433.558 5.899 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(N3CCCC3)cc2C)nnc1-c1ccc(C)cc1 489635819 QQPCJMVZVKLDNJ-UHFFFAOYSA-N 447.608 5.079 30 20 IKED C[C@H](Sc1ccccc1Cl)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 490628202 GWDDRYGCYHRSAZ-KRWDZBQOSA-N 436.964 6.104 30 20 IKED COc1ccc(C#N)cc1NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 493036470 PFARZQYETTXPKA-UHFFFAOYSA-N 431.542 5.600 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 495623805 KBDQBKKKULOUOL-UKRRQHHQSA-N 436.606 5.218 30 20 IKED N#Cc1ccsc1C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 497991471 XXANWPMFVCZVGU-UHFFFAOYSA-N 433.386 5.282 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)COc3c(Cl)cccc3Cl)c2)cc1 501469559 FYASENCFSFFYDC-UHFFFAOYSA-N 441.314 5.656 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccccc2OCCc2ccccc2)cc1 502403647 JOFWJFKFJSKKGL-UHFFFAOYSA-N 430.508 5.260 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCCC(=O)Nc3ccccc3)cc2Cl)cc1 502619407 VEJXNSGQFXSQNV-UHFFFAOYSA-N 434.883 5.154 30 20 IKED CCOc1ccc(N(C(=O)[C@@H](C)Oc2ccccc2C#N)c2nc3ccccc3s2)cc1 502775310 VAXTXJGJDBSZTL-QGZVFWFLSA-N 443.528 5.699 30 20 IKED CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 504088040 AHEDZNQPQNXMMK-UHFFFAOYSA-N 448.504 5.717 30 20 IKED N#C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1c(Cl)cccc1Cl 505511709 GUJUOXPOQREACD-INIZCTEOSA-N 434.710 5.615 30 20 IKED N#CC1(c2ccccc2)CCC(NCc2ccccc2-c2ccc(Cn3cncn3)cc2)CC1 507851932 NDBKOGFWXNQJBU-UHFFFAOYSA-N 447.586 5.487 30 20 IKED N#Cc1ccc(OC2CCC(NC(=O)CCCc3cc(Cl)sc3Cl)CC2)nc1 508450994 IJKPOLXJCMVLDX-UHFFFAOYSA-N 438.380 5.151 30 20 IKED C=CCn1c(Cc2ccc3ccccc3c2)nnc1N(C)Cc1csc([C@H](C)OCC)n1 508865212 TZGBBIMKWLNHEJ-SFHVURJKSA-N 447.608 5.399 30 20 IKED N#C[C@@H](C(=O)c1ccc(I)c(F)c1)c1nc(-c2ccccc2)cs1 511727926 DAJQOBZOBIAUDL-ZDUSSCGKSA-N 448.260 5.044 30 20 IKED N#Cc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 511821605 LZDITGBJTRHBHI-UHFFFAOYSA-N 447.473 5.410 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1cn(-c2ccccc2)nc1-c1cccc(OC)c1 512843372 GUGYBKIGCQBFHO-UHFFFAOYSA-N 438.487 5.071 30 20 IKED N#C[C@@H](C(=O)c1cc2ccccc2n1Cc1ccccc1F)c1ccc(C(F)(F)F)cn1 513172860 WFYPJIXMCYQEKR-GOSISDBHSA-N 437.396 5.733 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ccccc2F)o1)c1nc(O)c2c3c(sc2n1)CCCC3 513666966 QHJBVGWSCNJFQP-CQSZACIVSA-N 433.464 5.165 30 20 IKED Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN(CCC#N)Cc1ccccn1 513736940 PQLMXTZBMNPXKU-UHFFFAOYSA-N 441.510 5.423 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3cccnc3-c3ccc(Cl)s3)CC2)c(F)c1 514246845 RFPJFJCPIHAAGM-UHFFFAOYSA-N 440.931 5.329 30 20 IKED Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1NC(=O)c1ccccc1F 515098267 AOUMITVIZWQBJV-AWEZNQCLSA-N 447.535 5.697 30 20 IKED C[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1cc(Cl)ccc1Cl 515756123 LXJZVJUDCMEVAU-OAHLLOKOSA-N 440.330 5.883 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 518124983 CSPHASGJJLTOFU-UHFFFAOYSA-N 434.565 5.390 30 20 IKED Cc1ccc(C2(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)CCOCC2)cc1 518382411 VOEPRMZPZRDUEX-UHFFFAOYSA-N 426.516 5.133 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)cc1 518579564 XPUSISDAMKONHL-INIZCTEOSA-N 426.586 5.138 30 20 IKED N#C[C@@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccccc2Cl)CCC3)CCO1 520684594 WBSLPRIGOQSBHI-YWXUCKCNSA-N 443.934 5.130 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)s2)cc1 520791385 VVLYRZGQQUFFSE-MRXNPFEDSA-N 446.576 5.044 30 20 IKED Cc1ccc(C(=O)N[C@H](CC(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc2)cc1 521537273 JMPACRBJSPYVHW-JOCHJYFZSA-N 443.572 5.307 30 20 IKED CN(C)c1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c(C(F)(F)F)c1 521951240 VBURXJNVKTZTID-UHFFFAOYSA-N 426.398 5.083 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)CCc3nnc(-c4cc5ccccc5o4)o3)c2C#N)C1 522395248 YHXGQFOACDXCBI-ZDUSSCGKSA-N 432.505 5.112 30 20 IKED C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1cccc(OCc2ccccn2)c1 524436694 GGOPTHOXFJHUML-HNNXBMFYSA-N 438.434 5.016 30 20 IKED CC[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1cc(F)ccc1F 524923938 ZISCNJAWORJTBE-DEOSSOPVSA-N 437.465 5.839 30 20 IKED CCCN(C(=O)CSc1ccc(C#N)cc1)[C@H](c1cccnc1)c1ccc(F)cc1F 525129900 YVAPMMMRHPMZMM-XMMPIXPASA-N 437.515 5.352 30 20 IKED Cc1ccccc1-c1cnc(CSc2nc(N)c(C(=O)Nc3ccccc3)cc2C#N)o1 536017785 LCGMZQZOYMCMCX-UHFFFAOYSA-N 441.516 5.044 30 20 IKED Cc1cc(NC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)n(CCC#N)n1 536163791 YHXGTMZUZINSFY-UHFFFAOYSA-N 428.323 5.337 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC(Cc3cccnc3)CC2)c1 537817043 NJOCOTKEFNMTQS-UHFFFAOYSA-N 431.923 5.494 30 20 IKED Cc1ccc(Oc2ncccc2-c2noc(-c3ccc(C#N)s3)n2)c(Br)c1 545837795 RSHTVVNRUGCVFJ-UHFFFAOYSA-N 439.294 5.595 30 20 IKED CC(C)CN(C(=O)C(=O)Nc1cccc(OCCCC#N)c1)[C@H](C)c1ccccc1Cl 551450658 JDTFLYJQOYGIKU-GOSISDBHSA-N 441.959 5.207 30 20 IKED CC[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1cccc(C(F)(F)F)c1 553543682 BXAYWCVAYWJKJN-LJQANCHMSA-N 434.433 5.280 30 20 IKED CSC[C@](C)(C#N)NC(=O)c1oc2ccccc2c1CSc1ccccc1Cl 566938529 CBWAUDSCQGZIOP-NRFANRHFSA-N 430.982 5.754 30 20 IKED CC(=O)Nc1ccc(-c2noc(-c3ccc(C(F)(F)F)c(F)c3)n2)cc1C(F)(F)F 568327489 CZUSYXVYISQHPF-UHFFFAOYSA-N 433.283 5.539 30 20 IKED COc1ccc(-c2ncc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)s2)cc1OC 568712946 FSTXOZHCDINDJD-MRXNPFEDSA-N 447.541 5.441 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(C(=O)c2ccccc2)CC1 573088707 SZDIIBWAUROMDW-UHFFFAOYSA-N 439.563 5.026 30 20 IKED C[C@@](C#N)(NC(=O)CSc1ncnc2scc(-c3ccccc3)c12)C1CCCCC1 573353919 HRSJVKPIJQPAJE-QHCPKHFHSA-N 436.606 5.429 30 20 IKED NC(=O)c1ccc(OCC(F)F)c(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 574728703 PWALQPJNVBKMOJ-UHFFFAOYSA-N 442.306 5.079 30 20 IKED COc1ccc(-c2ncc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)s2)cc1OC 582524804 FYPDGZVLNJDYOP-LBPRGKRZSA-N 439.562 5.138 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)NC2(c3noc(C(F)F)n3)CCC2)cc1Cl 590432494 BIHMBYOUDCEPEC-UHFFFAOYSA-N 444.825 5.134 30 20 IKED COC(=O)c1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 603746476 XJBARLQALKJITR-OAQYLSRUSA-N 433.895 5.104 30 20 IKED N#Cc1c(NC(=O)Cc2csc(-c3ccccc3)n2)sc2c1-c1ccccc1CC2 603991746 OLZKQDVJRPXGAH-UHFFFAOYSA-N 427.554 5.690 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C3(c4cccc(Cl)c4)CCOCC3)cn2)cc1 604335881 BKDKFXHWMHHZLQ-UHFFFAOYSA-N 433.895 5.086 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H]3CCCO[C@H]3c3ccccc3)cn2)c1 604428855 HRQLAHSNBRGCSI-YKSBVNFPSA-N 428.492 5.035 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)Cc2ccc(C(F)(F)F)cc2)cc1 606183971 WXWFSUUDYJIYPF-QGZVFWFLSA-N 430.470 5.337 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C1CCN(Cc2ccccc2)CC1 608936134 SHHQYQRUQIUXBJ-UHFFFAOYSA-N 441.550 5.451 30 20 IKED CCCN(C(=O)CSCc1coc(-c2ccccc2)n1)c1cc(Cl)ccc1C#N 609286387 VVALRHABFJPIQJ-UHFFFAOYSA-N 425.941 5.543 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](c1ccccc1)N1CCc2ccccc21 609377826 OFSVABJMJBCNIJ-CLOONOSVSA-N 427.573 5.681 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1OC 609399335 ODOZIVGVAIHEPE-LPHOPBHVSA-N 425.554 5.325 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccnc(OCC(F)(F)F)c3)cc2)c1 609434443 KNMIYZYQVYTHSD-UHFFFAOYSA-N 442.397 5.008 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2(c3ccccc3)CCOCC2)cc1 609572960 DNTVHPJCEIKKLM-UHFFFAOYSA-N 443.503 5.187 30 20 IKED Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)C1CCC(C)CC1 609579178 RPRHAVXOTJIFKF-IWRZYZMASA-N 449.620 5.623 30 20 IKED Cc1ccc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1OC(F)F 609638321 NEYHXYPDMXEILP-UHFFFAOYSA-N 437.446 5.886 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 609772555 GPAUJULROYRRCP-UTKZUKDTSA-N 428.001 6.883 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCS[C@@H](c2ccccc2)C1 609807847 SXRMXAKKDZBSBP-RUZDIDTESA-N 443.572 5.768 30 20 IKED N#Cc1cn(CCCOc2cccc3ccccc23)c2ccc(Br)cc2c1=O 609962159 FDQFBCIQWUOESY-UHFFFAOYSA-N 433.305 5.258 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)c1 610167026 OPKBLQHEDLOMKI-UHFFFAOYSA-N 429.402 5.218 30 20 IKED C[C@]1(C#N)CCCN(C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)C1 612306272 XBVPCIMQHBFYAH-OAQYLSRUSA-N 430.430 5.115 30 20 IKED Cc1ccc([C@H](C)c2noc(C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n2)cc1 612929005 MWWWFLSQTDHEKG-INIZCTEOSA-N 429.480 5.034 30 20 IKED C[C@H](NC(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1cccc(C#N)c1 616044355 BNPOVSLDQSNYQC-AOMKIAJQSA-N 449.352 5.060 30 20 IKED N#Cc1cc(NC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)ccc1OC(F)(F)F 619666807 OBWUHCBNKBJENF-ZDUSSCGKSA-N 430.386 5.010 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 642252632 MERLWZBYUUSKHY-OAHLLOKOSA-N 437.956 5.612 30 20 IKED CC(=O)Nc1cc(C(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)cc(C(F)(F)F)c1 675449838 BVGREBOUKBNGRR-UHFFFAOYSA-N 440.290 5.570 30 20 IKED N#C[C@H](C(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1nc(-c2c(F)cccc2F)cs1 727631324 DFMVKXWMBBBOPY-CQSZACIVSA-N 448.416 6.015 30 20 IKED N#CCCN(CC1CC1)Cn1nc(Nc2ccc(Oc3ccccc3)cc2)sc1=S 728904508 LIUXLRSHXFLIDD-UHFFFAOYSA-N 437.594 5.793 30 20 IKED N#CCn1c(C(=O)Nc2ccccc2C(=O)Nc2cccc(Cl)c2)cc2ccccc21 729650443 UDMAHXUMQDXDBX-UHFFFAOYSA-N 428.879 5.323 30 20 IKED Cn1c([C@H](C#N)C(=O)[C@@H](Sc2ccc(F)cc2F)c2ccccc2)nc2ccccc21 730072328 UBKWWRVEKUGLOQ-HXOBKFHXSA-N 433.483 5.561 30 20 IKED N#CCOc1ccc(CNC(=O)[C@@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)cc1 730218238 ILRCXIIWMJRRPT-QFIPXVFZSA-N 441.314 5.332 30 20 IKED C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc23)nc1C 730830770 XJOXOVGVVXJUGI-ZWKOTPCHSA-N 447.589 5.080 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)c1 733773173 SVNNLSUQMXXLHX-YADARESESA-N 436.458 5.082 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)OCC(=O)Nc2cc(F)ccc2F)c1 735162819 ILTFLOVDFKRHLB-UHFFFAOYSA-N 442.805 5.078 30 20 IKED C=CCCCCCN(C)C(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl 739653299 APXDTHJMDWZYBG-UHFFFAOYSA-N 438.952 5.098 30 20 IKED C#CCN(C(=O)[C@H]1CCSc2ccccc21)[C@H]1CCOc2ccc(Br)cc21 741927180 CXBKGZYPIXAYBZ-HKUYNNGSSA-N 442.378 5.014 30 20 IKED COc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)sc(C)c1Br 742536648 BXATVPKWDIQMQA-KRWDZBQOSA-N 441.350 5.735 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)Cn1nc(C2CC2)n(Cc2ccccc2)c1=S 746055747 CYHKLLXIKDETRT-UHFFFAOYSA-N 431.609 5.327 30 20 IKED CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 746660451 RTZUYAICRNWHLF-QHCPKHFHSA-N 437.465 6.415 30 20 IKED C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 746806556 DHAQGGGIWAFPOV-CGDMDDRRSA-N 431.561 5.304 30 20 IKED CCCNc1ccc(C#N)cc1NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 748325800 LTOKQEBELIDCRR-DEOSSOPVSA-N 425.488 5.087 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\COc3c(C)cc(Cl)cc3C2=O)cs1 750910387 SGDIYIYKCSYPRR-RIYZIHGNSA-N 442.899 5.587 30 20 IKED CC(=O)N(c1nc(COC(=O)c2cc(C#N)cs2)cs1)c1c(C)cc(C)cc1Cl 752586487 JHAORSMGBWZYCI-UHFFFAOYSA-N 445.953 5.388 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2cc(C3CCCCCC3)[nH]n2)cc1 756229713 OBLMWGPATAROOT-JOCHJYFZSA-N 441.535 5.080 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc(F)cc(C(F)(F)F)c1 756234890 YXJFXFYTSXCYOP-CQSZACIVSA-N 432.345 5.120 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CC=C(c3cccc4ccccc34)C2)ccc1OC 758497824 SEBBCDUUXBKVRJ-JOCHJYFZSA-N 441.531 5.138 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1c(C(F)(F)F)ccnc1Cl 759462261 PLVHUFVTKOVPTH-BQBZGAKWSA-N 442.709 5.393 30 20 IKED COc1ccc(Sc2ccc(NC(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)cc2)cc1 761845598 KLYBMALTAVIVDR-XMMPIXPASA-N 445.544 5.323 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]32)cc1Cl 762944386 ODOGRTHAPLIEFY-PBASOCQRSA-N 444.025 5.497 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@H](CSc3ccccc3)C2)c1=S 765037195 GAMHFIXTMUQERN-IBGZPJMESA-N 437.638 5.124 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCCc3nc(-c4ccccc4)sc32)ccc1OC 772986022 MPBZJZXCNPHUSC-VQTJNVASSA-N 433.577 5.667 30 20 IKED COCCc1nc(C)c([C@H](C)OC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)s1 773915074 ZAENXTWVZYJDFQ-KRWDZBQOSA-N 436.533 5.417 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)c3c(C)nn(CC(F)(F)F)c3C)n2)cc1 778296856 DCIPYGCFNOERNX-CXAGYDPISA-N 446.498 5.474 30 20 IKED CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)C1 778605999 KVJIACYNLAWFGI-WMLDXEAASA-N 445.972 5.287 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)c1 779103183 AKDHOYVDSONMMS-BAGYTPMASA-N 429.358 5.140 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(Cc2cccc(F)c2)n1 780304794 APMJQOSHCHSQIS-AWEZNQCLSA-N 448.306 5.141 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 780521601 YMIBAIRDPIVMOK-OAHLLOKOSA-N 434.883 5.527 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1OC1CCCC1 784829704 YCZBLPHKXQJFIX-MRXNPFEDSA-N 447.318 5.285 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@H](C#N)C(=O)NCc1cccc(Cl)c1 786536327 NSXBFZUZODOHHM-KRWDZBQOSA-N 444.343 5.064 30 20 IKED CCN(C(=O)CCc1ccccc1NC(=O)OC(C)(C)C)c1ccc(C#N)c(Cl)c1 790960542 RGHZMVSCQDKPHQ-UHFFFAOYSA-N 427.932 5.544 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1 804560794 LNTWUOCTVBSREK-UHFFFAOYSA-N 430.524 5.169 30 20 IKED C=CC[C@H](NC(=O)C(=O)N[C@H](C)c1ccccc1-c1ccc(Cl)cc1)c1ccncc1 805813553 KPOKPIKYAHLFAW-HXOBKFHXSA-N 433.939 5.013 30 20 IKED Cc1ccccc1[C@H](O)C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 806232829 JDSMLQBLZXAOMI-AREMUKBSSA-N 441.531 5.637 30 20 IKED Cc1csc(SCc2c(C(=O)Nc3n[nH]c(C4CC4)c3C#N)oc3ccccc23)n1 807698903 FOVZQOYVRRDOFY-UHFFFAOYSA-N 435.534 5.215 30 20 IKED Cc1nc(Cl)c(Cl)cc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 808385180 NNCMWNFWVWDMLW-UHFFFAOYSA-N 434.270 5.974 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1 915104500 CTRPYWCQIPSFDK-OAQYLSRUSA-N 435.483 5.794 30 20 IKED N#C[C@H](C(=O)CCCOc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl 916930990 IMYIPRGOUGUBIN-OAHLLOKOSA-N 425.699 5.153 30 20 IKED C[C@H](Oc1cccc(Cl)c1Cl)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917046478 DHBAGXGEHNLDCF-ONGXEEELSA-N 425.724 5.900 30 20 IKED C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(=O)Nc1cccnc1Cl 917941691 SFKXZYZNKCXDSL-CYBMUJFWSA-N 427.291 5.491 30 20 IKED CCCCCC[C@@H](C)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 918240038 YNYFPXQAWSYSQZ-UTKZUKDTSA-N 425.960 5.409 30 20 IKED CN(C(=O)C1CC1)c1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 919853743 GNJCVRBBBVHOFC-UHFFFAOYSA-N 445.906 5.629 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccc(Cl)cc3Cl)n2)cc1 920142263 UGUPBHBCIGKANK-QGZVFWFLSA-N 426.328 5.798 30 20 IKED Cc1cc(F)c(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)nc(O)n2CC(F)(F)F 1638239732 IKUPWCLEHHFWSF-UHFFFAOYSA-N 435.299 5.023 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)CCC1 1785788103 WDPDZWBEJUCYGI-UHFFFAOYSA-N 444.362 5.330 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)COc3ccc(Cl)c(Cl)c3)cc2)CCC1 1787726295 XECXPAJYAUACRN-UHFFFAOYSA-N 433.335 5.082 30 20 IKED Cc1c(Cl)ccc(C(=O)NC2(c3ccc(NC(=O)CCC#N)cc3)CCC2)c1Cl 1787890574 YQCQEXJCWROPKV-UHFFFAOYSA-N 430.335 5.353 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CCC2)cc1 1791589254 PPLRPKSPPVZCGJ-UHFFFAOYSA-N 435.505 5.133 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@]4(C)CC4(F)F)CCC3)cc2)c1 1792124364 VLMYZYZKNDJMBM-HJPURHCSSA-N 437.490 5.107 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1[nH]c3c(Cl)cccc3c1C)C2 1792571619 CAUUTAHOSLVAPW-BCDXTJNWSA-N 442.003 5.374 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc(Cl)cc(OC)c3)CC2)C1 1804868864 SWCZIAKRSWEIKS-UHFFFAOYSA-N 447.019 5.186 30 20 IKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1 1822399840 BGDMADWKCQCHQF-OAQYLSRUSA-N 430.508 5.084 30 20 IKED CC1=CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)CC1 1828351081 FQKFNFJYGSKODH-RZPFDVGOSA-N 447.623 5.293 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(Cl)c2C)CC1 1832025204 QLJREEZNVODJTH-HSZRJFAPSA-N 429.004 5.075 30 20 IKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C)c3ccccc23)CC1 1832830469 SYRULXWIVQXDQP-HHHXNRCGSA-N 444.619 5.114 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(F)c(Cl)c2)c1 10760432 KKFZVDRTPHSMOQ-UHFFFAOYSA-O 435.878 5.404 30 20 IKED O=C(/C(=C(\S)Nc1ccc(F)cc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccccc1 10828493 RZQMPRWWJCNVJQ-UHFFFAOYSA-O 441.551 5.755 30 20 IKED C=CCn1c(SCC(=O)Nc2c(CC)cccc2CC)nnc1-c1ccc(Cl)cc1 14069597 CRFHPTPFUPFFHS-UHFFFAOYSA-N 441.000 5.640 30 20 IKED C=CCn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nnc1-c1ccc(F)cc1 22041622 RWKMHMSLEBQAKK-UHFFFAOYSA-N 427.892 5.266 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)n1 26142577 FVYCEMMQLFXNPG-SECBINFHSA-N 440.447 5.149 30 20 IKED COc1cc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)ccc1OCc1ccccc1 60203626 FSVUAMGNOYDCNY-ZRDIBKRKSA-N 429.472 5.127 30 20 IKED C=CCN(CCc1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 62399458 DHGWZBWLYHGXLA-UHFFFAOYSA-N 425.532 5.594 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(OCc2ccccc2F)cc1 64422469 IRYALZUSCPWCRT-UHFFFAOYSA-N 434.467 5.083 30 20 IKED Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 108372849 ZFVZPHLNRLKXTI-UHFFFAOYSA-N 439.519 5.218 30 20 IKED C[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1cccc(OCc2ccccn2)c1 237600020 HZCGFCHAVWTTDO-QFIPXVFZSA-N 449.554 5.962 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(Cl)cc2cccnc12 303225947 WFWPZHHSFITHEN-UHFFFAOYSA-N 427.891 5.900 30 20 IKED Cc1cccc(Oc2ccccc2NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c1 303371714 JVEMGCQUICACFA-UHFFFAOYSA-N 427.504 5.453 30 20 IKED N#CCCCOc1cccc(NC(=O)[C@H](Oc2ccc(F)cc2Cl)c2ccccc2)c1 409841965 XMISABMKGCAIQF-HSZRJFAPSA-N 438.886 5.920 30 20 IKED N#CCSc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c1 429860190 OPHIALCSWVKZSG-UHFFFAOYSA-N 427.957 5.270 30 20 IKED CCc1noc(-c2ccc(C)c(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)c2)n1 430447306 FJFXSDFVNJVHIL-UHFFFAOYSA-N 438.487 5.310 30 20 IKED Cc1ccc2nc(COc3cccc(C(=O)[C@H](C#N)c4ncc(C(C)(C)C)s4)c3)cn2c1 430625245 QFBPVJFXZNIXKG-FQEVSTJZSA-N 444.560 5.466 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C[C@@H]2CCCO2)C2CCC(C)CC2)cc1 437848342 NQAVLGBUPKPPGY-BOYUCYPVSA-N 439.600 5.092 30 20 IKED CCOCCOc1ccc(Cl)cc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 437975939 GNPOWWUAQXGLQR-CTNGQTDRSA-N 427.932 5.059 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1)c1ccc(C(F)(F)F)cc1 442221931 JAQNEMVQXYPXDG-LJQANCHMSA-N 437.437 5.375 30 20 IKED CCN([C@@H](c1ccc(C(C)C)cc1)c1cccnc1)S(=O)(=O)c1ccc(F)cc1C#N 443344058 HQZJHNJWIOVYAY-DEOSSOPVSA-N 437.540 5.016 30 20 IKED N#Cc1cc(N2C(=O)N[C@H](c3cccs3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1 445926818 ULFXVECMMORXDX-GOSISDBHSA-N 443.406 5.228 30 20 IKED Cc1ncn(-c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)c1C 462778538 MLRGJSCKZKABHZ-UHFFFAOYSA-N 438.556 5.905 30 20 IKED CC[C@H](C)N(C(=O)c1ccc(Sc2ccccc2C#N)cc1)c1ccc(C(N)=O)cc1 463607739 UUJUCVNWKIQBOU-KRWDZBQOSA-N 429.545 5.254 30 20 IKED N#C[C@@H](C(=O)c1ccc(C(F)(F)F)cc1N1CCCC1)c1cc(C(F)(F)F)ccn1 464471339 YDWSYDIIOBBMGN-OAHLLOKOSA-N 427.348 5.209 30 20 IKED Cc1c(F)cccc1NC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 465277135 QGEJYJASNJJTLX-UHFFFAOYSA-N 425.300 5.269 30 20 IKED N#Cc1ccc(SCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)c(Cl)c1 465388997 PNTFZCMWBNQEHF-INIZCTEOSA-N 427.938 5.336 30 20 IKED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(SCC(F)(F)F)cc1 469277810 WMKYBRYYNSYSDM-MRXNPFEDSA-N 447.526 6.097 30 20 IKED Cc1cc(Br)cc2c(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)coc12 473486927 HULMLLWPXFSQFL-CYBMUJFWSA-N 444.235 5.739 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 474473318 UIFBYFRRHUICAP-ZDUSSCGKSA-N 434.924 5.358 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)cc1C 476176461 VFTJOCNGLQUHLY-UHFFFAOYSA-N 440.551 5.507 30 20 IKED COc1cccc(-c2nc(CSCCCOc3cccc(C#N)c3)cs2)c1OC 477349877 IXIRLOFKRKZBNT-UHFFFAOYSA-N 426.563 5.401 30 20 IKED C=CCn1c(S[C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)nnc1-c1ccncc1 477560421 KCDAELZVJGGNOF-OAHLLOKOSA-N 437.956 5.996 30 20 IKED Cc1cn(-c2cccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)c2)c(O)n1 477812291 QMXACYCRIUHMIG-UHFFFAOYSA-N 440.528 5.303 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ncoc2-c2ccccc2)cc1Cl 478208791 MRPZZJDBETWBFL-OAQYLSRUSA-N 442.906 5.972 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 480071619 OHWITFIEVVBFSL-CTUHWIOQSA-N 442.584 6.402 30 20 IKED C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 480373588 XLJLSDFWGIPVCT-IIBYNOLFSA-N 431.458 5.526 30 20 IKED Cc1cc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)nn1[C@@H](C)C1CC1 480380024 DEICLJHJTHJABJ-SFHVURJKSA-N 429.524 5.452 30 20 IKED CO[C@H](C)CN(C)C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 481436438 FJXWUXJKLOVXQR-PELKAZGASA-N 440.306 5.004 30 20 IKED COc1ccc([C@@H](NC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)C(F)(F)F)cc1 482328709 FWMNOZHOPUSKAL-JKSUJKDBSA-N 438.343 5.431 30 20 IKED N#C[C@H](C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1nccc2ccccc12 483231995 SEWKKOOJOHXGRO-QHCPKHFHSA-N 439.540 5.748 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H](C)c2ccc3ncsc3c2)cc1OC 485704277 WILMYJNIRPPIDQ-ZDUSSCGKSA-N 433.371 5.483 30 20 IKED C=CCC[C@H](NC(=O)Cc1c(C)nn(CC(F)(F)F)c1C)c1ccc(C(F)(F)F)cc1 486448724 VVEPIHUKIZJAJR-SFHVURJKSA-N 447.423 5.447 30 20 IKED C=CCSc1ccccc1NC(=O)CNc1cc(Cl)ccc1OC[C@H]1CCOC1 488143662 FBBSWHDHQBEZEF-INIZCTEOSA-N 432.973 5.084 30 20 IKED C=C(C)Cn1c(S[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)nnc1-c1ccncc1 489444136 DQBSSSZOTZDBQP-OAHLLOKOSA-N 436.516 5.267 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)Nc1cc(Cl)ccc1C 489664333 XQSGHDAWXLFWHJ-MRXNPFEDSA-N 442.972 5.124 30 20 IKED CC(C)n1c([C@H]2CCCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)nc2ccccc21 490592360 RGCFAYNDWFWJJR-QFIPXVFZSA-N 438.579 5.269 30 20 IKED Cc1ccc([C@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1[N+](=O)[O-] 493265228 XTRCXACPHZBWSI-SFHVURJKSA-N 444.491 5.431 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H](CO)c1cccc(Br)c1 499894121 KRZGLKVUUNTUQK-KBXCAEBGSA-N 448.386 5.041 30 20 IKED COc1ccc(OCc2nnc(SCC3(C#N)CC3)n2-c2ccc(C)c(Cl)c2)cc1 500770632 URTSWZDBJTYYRJ-UHFFFAOYSA-N 440.956 5.213 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)c2)cc1 501425165 OJZYUIUDIUUBBO-SANMLTNESA-N 442.515 5.142 30 20 IKED C=CCN(C(=O)[C@@H]1CCO[C@@H](CC)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502568556 HBOTWRSIWFBZCL-CABCVRRESA-N 425.381 5.841 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1cccc(OCCCC#N)c1 502619239 CGTRCJKUDWDJOV-UHFFFAOYSA-N 426.476 5.986 30 20 IKED C[C@H](Nc1ccc(NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1)c1ccccc1 503196951 GUZLULPPQHMFJR-MOPGFXCFSA-N 430.577 6.898 30 20 IKED CCN([C@H](c1ccc(Cl)cc1)c1ccccn1)S(=O)(=O)c1ccc(C#N)cc1Cl 503479460 ZUUHNXKUZBJRIL-OAQYLSRUSA-N 446.359 5.060 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)[C@@H]3CC=CC[C@H]3c3nc4ccccc4s3)CC2)cc1 503892275 NQNAJKNFBFTQFV-FGZHOGPDSA-N 425.557 5.534 30 20 IKED O=C(NCc1ccc(F)cc1C(F)(F)F)Nc1cccc2c1CN(CC(F)(F)F)C2 504843723 SEYQFLLCBCCKNV-UHFFFAOYSA-N 435.343 5.044 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 507808461 BVOLEVISMLORPW-MRXNPFEDSA-N 446.463 5.015 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(OCC(C)C)CC1 508465213 PBYQRMODQUZLTL-HXUWFJFHSA-N 434.584 5.399 30 20 IKED Cn1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(-c2cccs2)n1 509892882 GZYQIUKRELYVTD-NSHDSACASA-N 426.473 5.040 30 20 IKED CCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 511955414 OCQWCURDWFOSJH-UHFFFAOYSA-N 443.503 5.093 30 20 IKED COc1ccc(F)cc1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 513308578 MUOVMCJWCICJDP-UHFFFAOYSA-N 447.310 5.310 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)c(C)c2c1 514519060 UWWDZAVMIKMWFJ-UHFFFAOYSA-N 443.528 5.434 30 20 IKED Cc1cccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1[N+](=O)[O-] 514578074 HOWFPLVZWLCTOZ-UHFFFAOYSA-N 446.410 5.093 30 20 IKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)Nc1cccc(OCCCC#N)c1 516007119 KSVMPXWSZXLYFT-UHFFFAOYSA-N 426.314 5.103 30 20 IKED C[C@@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 517168490 FGVGTIWVLFBISS-CQSZACIVSA-N 436.855 5.351 30 20 IKED Cc1nc(-c2ccc(CNC(=O)Nc3ccccc3S[C@H](C)CC#N)s2)cs1 517529918 KROXPSRPBWZHBS-CYBMUJFWSA-N 428.608 5.896 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC=C(c2cccc3ccccc23)CC1 518682208 WFYMPPKZMPQRFX-IBGZPJMESA-N 427.573 6.413 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c1 518901928 CTPRLSQOGOVNSI-UHFFFAOYSA-N 428.492 5.390 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 518907151 NXOOSKFTDUKHED-MRXNPFEDSA-N 440.528 5.669 30 20 IKED CC1CCN(C[C@@H]2CCCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)C2)CC1 519196740 QXAUVCIHEDNQEF-QFIPXVFZSA-N 432.568 5.326 30 20 IKED Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 519426042 FFMAFDOEAGKANI-INIZCTEOSA-N 435.549 5.303 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(Oc3cnccn3)c2)cc1Cl 522950676 QVZWCHRCYCPZGS-QFIPXVFZSA-N 440.890 5.830 30 20 IKED COCCCOc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cn1 522974160 ZULRJBIXRVKBJF-OAQYLSRUSA-N 435.911 5.058 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCCCC[C@H]3c3ccco3)cc2F)c1 523020757 ALWUVFGPZWLBLE-QFIPXVFZSA-N 433.483 6.019 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cnc2c(cnn2CC(C)C)c1 523311544 AYTSTGHNBAXUPI-UHFFFAOYSA-N 441.510 5.254 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1 523531340 XNRHWZRAQLLETP-UHFFFAOYSA-N 445.544 5.511 30 20 IKED CC[C@@H]1CCc2nc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)sc2C1 523813939 KQUMTAIAGVWCKD-QGZVFWFLSA-N 433.581 5.304 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cnc(-c4ccncc4)s3)cc2Cl)cc1 525021077 OFHKEVJDTAZDCF-UHFFFAOYSA-N 432.892 5.775 30 20 IKED CCCCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 525365086 JGHGCSZILUZTFI-UHFFFAOYSA-N 449.532 5.145 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1cccnc1)Cc1ccco1 536814860 ILQMNAZOTWFJNR-UHFFFAOYSA-N 438.487 5.881 30 20 IKED COc1ccc(SC)c(OC)c1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 540508427 DAWPHDRRVAPFME-UHFFFAOYSA-N 435.505 5.045 30 20 IKED C[C@@H]1C/C(=C/c2ccco2)c2nc3ccccc3c(C(=O)N3CCC(CC#N)CC3)c2C1 543839312 LDZGPQLLJBZLLV-FBKQIBBUSA-N 425.532 5.717 30 20 IKED C[C@H](CNC(=O)c1ccccc1)c1noc(-c2ccc(Oc3cccc(F)c3C#N)cc2)n1 547179474 UZKCHIYORQRMMB-MRXNPFEDSA-N 442.450 5.073 30 20 IKED N#Cc1cccc(-n2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)n2)c1 547379642 KPPNMDZSINNUBT-JOCHJYFZSA-N 437.890 5.305 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N(C)Cc1nccs1 549724118 BKUUGQSOFUWWQX-UHFFFAOYSA-N 431.565 5.193 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC=C(c3ccncc3)C2)cc1 554172899 ANVJLUDNZPGWCC-UHFFFAOYSA-N 426.476 5.075 30 20 IKED CN(C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 563574623 SFIFDNRVEFPGEY-QPPBQGQZSA-N 446.482 5.269 30 20 IKED COc1cccc([C@@H](NCc2ccc(C#N)cc2C(F)(F)F)c2cc(F)ccc2OC)c1 574732869 VJANDBPLNKVLDT-HSZRJFAPSA-N 444.428 5.613 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 576538852 XPKZACAZQYUTRO-YLJYHZDGSA-N 448.567 5.175 30 20 IKED CS[C@@H]1C(=O)Nc2ccc(-c3noc(-c4cn(CCCC#N)c5ccccc45)n3)cc21 577144228 AVQQBODXVDWBKY-FQEVSTJZSA-N 429.505 5.018 30 20 IKED N#Cc1ccnc(N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1Cl 579145012 ZKAYKSAOTMRMAJ-AWEZNQCLSA-N 435.755 5.222 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)c3cccc(NC(=O)C4CCCCC4)c3)n2)cc1 603615360 PGVUMNDJEOVWJP-UHFFFAOYSA-N 430.533 5.453 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCCc1nc2ccccc2s1 603738445 DBPBAVJOKCIESZ-UHFFFAOYSA-N 442.544 6.015 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 603746330 QHXHALXCRXSTFK-QFIPXVFZSA-N 442.950 5.666 30 20 IKED N#Cc1c(NC(=O)CCCc2nc(-c3cccs3)no2)sc2c1-c1ccccc1CC2 603992616 RBIXQGGMYNMJHJ-UHFFFAOYSA-N 446.557 5.458 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cncc(Br)c3)cc2Cl)cc1 604027024 WJFIUMATMCNCMN-UHFFFAOYSA-N 428.673 5.414 30 20 IKED O=C(Nc1ccc(F)cc1OC(F)F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 608330867 RHYYTVNUBKPXBN-YUMQZZPRSA-N 438.290 5.458 30 20 IKED Cc1cccc(COc2ccc([C@@H](C)NC(=O)CCc3c(C)nn(CCC#N)c3C)cc2)c1 609033286 PSUNWLZLEYVSBO-HXUWFJFHSA-N 444.579 5.111 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 609296650 WPCQOPWILZVTCJ-INIZCTEOSA-N 434.565 6.296 30 20 IKED Cc1ccc(-n2ncc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c2C(F)(F)F)cc1 609376955 MOIHRMGRQCYUSS-HNNXBMFYSA-N 444.482 5.704 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N(Cc3cccs3)C[C@H]3CCCO3)cc2)cc1 609497955 YSCYLYCTBQCZEP-HSZRJFAPSA-N 432.545 5.428 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)CC1 609508522 GLQVZSOPEATQAR-TZJYRCSTSA-N 428.454 5.187 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCO[C@@H](c4ccccc4Cl)C3)c2)c1 609662324 ORTRMRDWPYCHRA-XMMPIXPASA-N 432.907 5.004 30 20 IKED CCCN(CC1CCCCC1)C(=O)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 609942154 GXNCGMNBSPSXEG-UHFFFAOYSA-N 447.579 5.089 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)NCc3ccc(NC(=O)c4ccco4)cc3)c2)cc1 609989994 DHADRLLRYFIFSN-UHFFFAOYSA-N 436.471 5.077 30 20 IKED N#Cc1ccc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CCC3)cc1C#N 610231481 DENGKMSOMDQARB-SAPNQHFASA-N 430.467 5.700 30 20 IKED COc1ccc(C2(NC(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)CCOCC2)cc1 610683605 LVYNVCLCFSMKCG-UHFFFAOYSA-N 442.515 5.103 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3cccnc3)CC2)cc1Cl 611261036 VSNLLHXPGHGBGK-HSZRJFAPSA-N 430.939 5.802 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 613290856 OBRKIYOSSJJNGI-SFHVURJKSA-N 433.920 5.722 30 20 IKED Cc1nc(C(C)C)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 613344952 YUBXQDYRCUZGLJ-ZDUSSCGKSA-N 436.389 6.495 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N[C@@H]1CCc2cc(C#N)ccc21 618739261 OSLKGCMNEGKESO-JOCHJYFZSA-N 439.346 5.014 30 20 IKED C=CCn1c(S[C@@H](C(=O)N2CCC[C@@H](C)C2)C(C)C)nnc1-c1ccc(Cl)cc1 639428407 VHZFPHYBDFYDQA-VQIMIIECSA-N 433.021 5.160 30 20 IKED O=C(Nc1ccc(-c2ccco2)cc1F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 683811783 ODTCTTKYSPGAON-RYUDHWBXSA-N 438.343 6.117 30 20 IKED N#C[C@@H](C(=O)Cc1cccc(Br)c1)C(=O)Nc1ccccc1Oc1ccccc1 726319277 FBIKXNCIPFQVBO-IBGZPJMESA-N 449.304 5.131 30 20 IKED CC(C)(C)c1cc(NC(=O)NCc2ccc(OCC#N)cc2)n(-c2cccc(Cl)c2)n1 727839895 RJBGIMIWLBGESB-UHFFFAOYSA-N 437.931 5.047 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)/C=C\c1ccccc1Cl 728015735 CVVRVQHWMMYMEI-QXMHVHEDSA-N 438.936 5.512 30 20 IKED CCC(CC)(C(=O)OCC(=O)Nc1sccc1C#N)c1ccc(Cl)c(Cl)c1 729003453 MSYGIEVEQKDYLM-UHFFFAOYSA-N 425.337 5.166 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1 729827790 SOWKEYCKTPPOAT-UHFFFAOYSA-N 449.757 5.485 30 20 IKED Cc1cc(COc2ccc(/C=C\C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)oc1C(=O)O 729937362 PUFHJKHETBCYTK-WTKPLQERSA-N 441.823 5.323 30 20 IKED CC(=NNc1nc2ccccc2c(=O)n1C)c1c(F)cccc1O[C@@H](C)c1ccccc1 730144580 BWIDAPLIUGCPHE-KRWDZBQOSA-N 430.483 5.049 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2ccc(OCc3occc3C(=O)O)cc2)S1 730951015 ITWUFESEJYAOQY-NDENLUEZSA-N 448.500 5.065 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccccc1C(F)(F)F 731029922 KBWFVZZHMHXFMS-OXQOHEQNSA-N 447.526 5.875 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc2nc(Cl)ccc2c1 731068889 BGFJCPJTASSCGE-CQSZACIVSA-N 439.924 5.078 30 20 IKED C=CCn1c(C)cc(C(=O)CON=C(Cc2nc3ccccc3n2C)c2ccccc2)c1C 731664758 VTXVMXBKIVJNRE-UHFFFAOYSA-N 440.547 5.024 30 20 IKED C[C@@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1nc2ccc(Cl)cc2[nH]1 732549176 ZQFOKTHIDVQHEK-OAHLLOKOSA-N 430.895 5.158 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1 732956559 WDIIPGUHLIPSQU-BIAHXVBSSA-N 447.494 5.345 30 20 IKED C#CCN(C(=O)Nc1ccc(C)c(OC)c1C)[C@@H]1CCOc2ccc(Br)cc21 733620428 VHAKDMDRYFRWCD-LJQANCHMSA-N 443.341 5.065 30 20 IKED CC(C)(C)c1ccc([C@H](O)CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 734930964 ZLLASDDGMDGDFT-JWQCQUIFSA-N 427.548 5.495 30 20 IKED C[C@@H](COc1cccc(C#N)c1)OC(=O)c1csc(-c2ccc(Br)s2)n1 739189562 WITRONOGMCBQTD-NSHDSACASA-N 449.351 5.130 30 20 IKED N#Cc1ccc(-c2cccc(CNCc3ccccc3I)c2)s1 740011675 QQLBNVCTOALLJL-UHFFFAOYSA-N 430.314 5.181 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)COc1cccc(C#N)c1 741978417 RUMLCGMPDPFSML-UHFFFAOYSA-N 442.494 5.621 30 20 IKED C[C@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCN1Cc1ccccc1 743093181 NYHDOPRLSKJPAG-WXVAWEFUSA-N 438.575 5.470 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 743116565 KQIPHCWCHOOMIC-UHFFFAOYSA-N 443.906 5.198 30 20 IKED Cc1cc(O)nc(-c2cccc(OC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)c2)n1 744217375 SZDYZVQFJFYLTD-UHFFFAOYSA-N 441.418 5.180 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(OC(=O)c2ccccc2SCC#N)cc1 744284159 OUYHENYORSBZNH-UHFFFAOYSA-N 436.920 5.451 30 20 IKED COc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1OCCC(C)C 747610315 BRWRINRKFLYVCS-UHFFFAOYSA-N 444.988 5.540 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)C3(c4ccc(Cl)c(Cl)c4)CCC3)o2)c1 750390382 UDWCTTAJJLTRRL-UHFFFAOYSA-N 428.275 5.080 30 20 IKED COc1ccc(C(=O)CCCCC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 759101808 KHXYDUKALXNWDT-UHFFFAOYSA-N 432.545 5.355 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F 763467595 QVKGFTAPOCLHBF-UHFFFAOYSA-N 431.342 5.150 30 20 IKED CCCC(=O)Nc1ccc(Cl)c(NC(=O)NCc2cccc(O[C@@H](C#N)CC)c2)c1 763992572 JYISYAZENWAAJV-QGZVFWFLSA-N 428.920 5.081 30 20 IKED CCc1nc2ccccc2n1N=Cc1cc(Br)cc(Br)c1OC 767373692 NBJKCIKVRWEYPW-UHFFFAOYSA-N 437.135 5.015 30 20 IKED Cc1ccncc1[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1 770573401 BPBMHDDRDYLWTQ-GCJKJVERSA-N 444.560 5.112 30 20 IKED Cc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1NC(=O)OC(C)(C)C 772117238 HIQGZANZQLHOIK-OAHLLOKOSA-N 425.554 5.846 30 20 IKED C=CCSc1ccccc1C(=O)OCc1csc(CC(=O)Nc2ccccc2C)n1 777075018 AURRIOSTFWFINR-UHFFFAOYSA-N 438.574 5.268 30 20 IKED C=CCC[C@@H](C(=O)O[C@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C)c1ccccc1 778551790 JGTJNHKSUWJJSP-NFBKMPQASA-N 431.536 5.109 30 20 IKED CCN(Cc1cccc(NC(=O)Nc2ccccc2O[C@H](C)C#N)c1)C(=O)OC(C)(C)C 780578678 JWXWNQHIBCXIKI-QGZVFWFLSA-N 438.528 5.378 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 781034023 GUDHXUOQMLFDLK-MRXNPFEDSA-N 428.517 5.398 30 20 IKED O=C(/C=C\c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(N2CCNC2=O)cc1 782370911 VGDFVFWJRYPECL-YFHOEESVSA-N 443.450 5.255 30 20 IKED C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 783071641 KRKQCFMXIHKRNW-ACJLOTCBSA-N 441.434 5.344 30 20 IKED N#C[C@@H](C(=O)C1(c2ccccc2Br)CC1)c1nc2cc(Cl)ccc2s1 789347465 MSRGONJUDXBMEA-LBPRGKRZSA-N 431.742 5.620 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 789452569 SFEFOKALMYKESV-UHFFFAOYSA-N 443.538 5.930 30 20 IKED CCN(C(=O)C#Cc1ccc(C(F)(F)F)cc1)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 790633427 WBGNHLZDTQTNDY-HSZRJFAPSA-N 444.403 5.368 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccsc3)N(C3CC=CC3)C2=O)c1 790745203 DLCZWCDFXCXHHL-IBGZPJMESA-N 425.579 5.044 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(COC(=O)c2ccc(C)c(C#N)c2)cs1 799549725 VLKLDDCWNBJGSO-UHFFFAOYSA-N 425.897 5.018 30 20 IKED N#Cc1ccccc1N1CCC(NC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)CC1 799644390 IJRQCEGYRAXSQK-UHFFFAOYSA-N 439.346 5.259 30 20 IKED N#CC1(c2ccccn2)CCN(Cn2c(=S)sc3ccc(C(F)(F)F)cc32)CC1 799942941 ISJLBLPVJPZRDG-UHFFFAOYSA-N 434.512 5.361 30 20 IKED O=C1/C(=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)C[C@@H](C(=O)O)c2ccccc21 806563407 WEECTHKPZXMBMM-YVJSUPCUSA-N 429.419 5.667 30 20 IKED COCc1ccccc1/C=C(/C)C=Nn1cnc2sc(C)c(-c3ccccc3)c2c1=O 814215399 OTPIOCXPILIQBF-DSHMUQCVSA-N 429.545 5.517 30 20 IKED CSCc1cnc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)s1 814729236 HRGGGKYIXCJNNE-UHFFFAOYSA-N 447.010 5.289 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ncc(C(C)C)s1 814729334 MCBFMMPWKHICQK-UHFFFAOYSA-N 428.970 5.549 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N[C@@H](CCCC#N)c3ccccc3)ccc21 817325078 WRSKSZSKZLHHJV-QFIPXVFZSA-N 433.552 5.539 30 20 IKED CSc1nc(C2CC2)cc(-c2nc(-c3cccc(NC(=O)OC(C)(C)C)c3)no2)c1C#N 904636291 VSBSSCNGXRPMNF-UHFFFAOYSA-N 449.536 5.617 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccc(Br)s2)cc1 915353007 KUWKGONIXIGSLR-LJQANCHMSA-N 440.366 5.530 30 20 IKED C=CCOc1c(Br)cc(C=NNCc2cccc3cccnc23)cc1OCC 915963101 MPHJXIYSNMITLJ-UHFFFAOYSA-N 440.341 5.085 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc(Cc2ccccc2)nc1C 916907258 LQQSKTIAHMZIMW-HXUWFJFHSA-N 431.561 5.128 30 20 IKED CC(C)(C)c1noc(CCCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)n1 917042338 BHAQIDJOOLOMMX-GFCCVEGCSA-N 436.459 5.195 30 20 IKED Cc1c(Cl)cccc1N=C1SCCN1C(=O)c1cccc(NC(=O)c2ccco2)c1 917565283 MKCFNLZHQSSUFB-UHFFFAOYSA-N 439.924 5.370 30 20 IKED N#Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2Cl)c(C(F)(F)F)c1 917840822 OIUXBSKSBNYPPC-UHFFFAOYSA-N 430.618 5.305 30 20 IKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 918035608 CWVNGYQGAUKYOL-SANMLTNESA-N 448.570 6.543 30 20 IKED N#C[C@H](C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1)c1ccc2ccccc2n1 920105873 HGTAVYDTGCRACI-BWKNWUBXSA-N 443.506 5.035 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCc3ncc(-c4ccccc4)o3)n2)cc1 920138278 CFTWVUJRCOCSOR-FQEVSTJZSA-N 443.528 5.673 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3c(Cl)cccc3Cl)n2)cc1 920143364 ZDTNOPJBFWWHTE-AWEZNQCLSA-N 428.300 5.244 30 20 IKED Cc1nc(-c2ccc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)cc2)co1 920852285 WIGIORYULMONSU-UHFFFAOYSA-N 425.492 5.296 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1sc(-c2ccc(Cl)s2)nc1C 921131813 NCDSSPNMYWEKEC-LBPRGKRZSA-N 445.953 5.193 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1786369245 WCOBNOOZAQSKHC-FQEVSTJZSA-N 445.563 5.044 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)CC(C)(C)C(=O)OC(C)(C)C)cc2)CCC1 1790355598 XZMKHJFTWKDQNG-SFHVURJKSA-N 442.600 5.091 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)C4(F)CCCCC4)CCC3)cc2)cc1 1790707717 PNCFENBTJGTZSB-UHFFFAOYSA-N 433.527 5.173 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1 1791587528 NWKYHVMDHXWLSI-UMXIMWEHSA-N 429.564 5.075 30 20 IKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)c(Cl)cc3F)cc2)CCC1 1792175145 XXOCYMXYLNMPPL-UHFFFAOYSA-N 434.298 5.184 30 20 IKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)sc1Cl 1798981579 RNDMXKKUMRCJEA-QDMKHBRRSA-N 427.397 5.075 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2Cl)[C@H]1c1cccnc1 1811703592 IABCCBDQAXGZIB-SIKLNZKXSA-N 439.987 5.047 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1814830255 URZYFTIISQICEB-MBSDFSHPSA-N 445.567 5.111 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)n[nH]1 1818868637 AVIOSLOPLCLGAO-LDBRAYGESA-N 440.975 5.071 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)cc2)n[nH]1 1820560977 UCPPRMCIWAMRLX-FQEVSTJZSA-N 426.948 5.137 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2F)CC1 1823938504 GGYSCSJHJBIEPA-NFBKMPQASA-N 446.994 5.481 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCC3CCCC3)CC2)c1 1826269986 CJMNYVJYNGZRDD-QFQXNSOFSA-N 449.639 5.517 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@]2(F)CCCC=C2F)CC1 1829069724 CCLDCAULSKLTQT-CPJSRVTESA-N 436.587 5.344 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2cccc3ccccc23)cc1 11125261 HRSIDFAJWLAOTI-UHFFFAOYSA-O 445.995 6.394 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cc(C)ccc2C)cc1 22729685 BNPRKITXOYTNCY-UHFFFAOYSA-O 439.551 5.873 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(C)c([N+](=O)[O-])c2)[n+]2ccccc2CC)c1 22732440 AMBUJTHHNRYXNG-UHFFFAOYSA-O 448.568 5.366 30 20 IKED CCCOc1c(Cl)cc(/C=C2\S/C(=N\c3c(C)cccc3C)NC2=O)cc1OCC 23724250 RPQCLODJUUCZPJ-UYRXBGFRSA-N 444.984 6.036 30 20 IKED C=CCN(Cc1cccs1)C(=O)Cc1cc(OCC)c(OCC)cc1Br 104917581 VVPUEDBGOQFEPP-UHFFFAOYSA-N 438.387 5.065 30 20 IKED C=CCn1c(S[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)nnc1-c1ccccc1F 195569620 VFAMSSNHBZWQSD-ZDUSSCGKSA-N 441.557 5.038 30 20 IKED N#Cc1ccc(NC(=O)c2ccc(COc3ccccc3Br)cc2)cc1C#N 303970128 DTOFLGOPHVHLON-UHFFFAOYSA-N 432.277 5.024 30 20 IKED CCCc1c(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cnn1-c1ccccc1C 429674690 DUVKFOPMCOXAEL-UHFFFAOYSA-N 443.551 5.080 30 20 IKED C[C@H](Cc1cc(Br)ccc1F)NC(=O)N[C@H](CCCC#N)c1ccccc1 431451297 IRLDSDXCSKXHAP-FOIQADDNSA-N 432.337 5.254 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(c3ncc4n3CCCC4)CC2)cc1 433960032 NWXYMFOUSBQHLW-UHFFFAOYSA-N 440.547 5.212 30 20 IKED Cc1ccc(CCN(Cc2ccco2)Cc2cn(CCC#N)nc2-c2ccncc2)cc1 435134959 ZWULVTBRHNGDJO-UHFFFAOYSA-N 425.536 5.005 30 20 IKED COc1ccc([C@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)c2c[nH]c3ccccc23)cc1 435952474 ZWGDZNNDSHYCAL-DEOSSOPVSA-N 435.527 5.028 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CC[C@@H](COCc4ccccc4)C3)c2)cc1 438028979 HOLZCBSRKDGPQK-JOCHJYFZSA-N 427.504 5.421 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccc(F)cc1F)C1CCCC1 438042531 QHQCAMYHQZXAMK-MRXNPFEDSA-N 429.536 6.193 30 20 IKED COc1cccc(Oc2ccc(CNC(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)cn2)c1 438657296 QZMSVYIIBXFEBP-UHFFFAOYSA-N 442.397 5.095 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2cn3cc(Cl)ccc3n2)cc1F 438661621 PGDQMHHCEKGWMI-UHFFFAOYSA-N 435.846 5.112 30 20 IKED C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nc(Cc2ccccc2)no1 439563939 WQVYGDSEDXKGPA-INIZCTEOSA-N 430.895 6.151 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2ccc(C)c(OCc3csc(Br)c3)c2)n1 442601242 QNNKJBAYQUEFAB-HNNXBMFYSA-N 447.379 5.653 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 443934008 BMDIQDKUZPGSLQ-MRXNPFEDSA-N 448.514 5.311 30 20 IKED N#CCCCn1cc(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)c2ccccc21 444033976 SZSWHHOJGTYZDP-UHFFFAOYSA-N 447.432 5.614 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H]1c1ccccc1OC 460565418 HXMZXJADKUDQAO-PWWKTKHKSA-N 444.579 5.450 30 20 IKED C[C@H](CC(=O)c1ccccc1F)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 463118823 FBBPBOMPLXQENK-GOSISDBHSA-N 430.479 5.318 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(NC(=O)C2CC2)cc1 463757925 XMUOMLKCFGGTKP-UHFFFAOYSA-N 441.506 5.130 30 20 IKED COc1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc(OC)c1OC(F)F 463880934 SOXCGXMOFPFNGT-UHFFFAOYSA-N 440.402 5.221 30 20 IKED C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 467913188 ZBVJFWKHFCRZPC-KRWDZBQOSA-N 447.485 5.761 30 20 IKED C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Cl)c(Cl)c1Cl 469303025 XYZIHQRKXJYJOS-ZDUSSCGKSA-N 436.770 6.403 30 20 IKED CC(C)c1oc([C@@H]2CCCN2CCC(=O)Nc2ccccc2C#N)nc1-c1ccccc1 471174739 CAXDJXIOJRMPMG-QFIPXVFZSA-N 428.536 5.502 30 20 IKED Cc1cccc(CN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)Cc2ccccn2)c1 471177147 LYRJLDMQJJJPLG-OAQYLSRUSA-N 444.604 5.283 30 20 IKED Cc1nn(-c2ccc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)cc2)c(C)c1Br 474432139 LSCICPPGLKBRPZ-MRXNPFEDSA-N 443.370 5.322 30 20 IKED N#CC[C@@H](CC(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccccc1 476986899 SJIPXKPLRPKCEJ-REWPJTCUSA-N 448.364 5.332 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 480186318 MUNGDEICEYSTIA-KBMIEXCESA-N 441.531 5.091 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccc(Oc3ccccc3)nc2)nnc1-c1ccco1 480650082 SEOHHCOWGLELPF-UHFFFAOYSA-N 447.520 5.032 30 20 IKED Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 480958231 KBSCUPKKJYLVBV-HNNXBMFYSA-N 437.496 6.010 30 20 IKED CC(C)n1cc2c(n1)C[C@H](NC(=O)c1cccc(Oc3ccc(Cl)cc3C#N)c1)CC2 481856952 PMOMZTZVBCLSGR-HXUWFJFHSA-N 434.927 5.069 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)c1cnc2ccccc2n1 483199617 NZFDXFKVMADSAU-LBPRGKRZSA-N 425.300 5.550 30 20 IKED Cc1ccccc1-c1cc(C(=O)[C@H](C#N)c2cnc3ccccc3n2)c2cnn(C(C)C)c2n1 483205620 AHZAEBKKQMWOIQ-HXUWFJFHSA-N 446.514 5.421 30 20 IKED Cc1ccc2nc(COc3cccc(C(=O)N[C@H](CCCC#N)c4ccccc4)c3)cn2c1 487511919 GHMZNGSWKZZMGQ-RUZDIDTESA-N 438.531 5.387 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)c1nc(-c2ccccc2)no1 489632928 WWSVGBUTXOLAHA-KRWDZBQOSA-N 433.537 5.255 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(CCc4ccccc4)n3)n2)cc1 499576817 QHUMMWHTSLCDLX-LJQANCHMSA-N 440.553 5.414 30 20 IKED C=CCN(CC=C)C(=O)[C@H](C)Sc1nnc(-c2ccc(OC)cc2)n1C1CCCCC1 501545563 JVEWWSWATUTOAY-SFHVURJKSA-N 440.613 5.140 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 502682359 WRRRRHQLKJWLOV-UHFFFAOYSA-N 443.532 5.915 30 20 IKED COc1ccccc1SC[C@H](C)CNC(=O)c1ccccc1Sc1ccccc1C#N 505060914 GLZRCOCKMWWVDR-GOSISDBHSA-N 448.613 5.876 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2)cs1 505746068 RLSARFRQCOHIRY-OAHLLOKOSA-N 432.730 5.472 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1c(F)cccc1F)C(F)(F)F 506317376 YPFGNDPTXBKQGB-HXPMCKFVSA-N 443.441 5.048 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H](C#N)c1cccc(Br)c1 506527865 UVVBQRKYCZLTSG-LJQANCHMSA-N 448.345 5.467 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2 513275457 FMPQXUGUOXZGRA-UEWUEVEISA-N 437.399 6.084 30 20 IKED C[C@H]1CN(Cc2ccc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)cc2)C[C@@H](C)O1 515689232 MOPRHNQXIOJVQM-HDICACEKSA-N 431.561 5.148 30 20 IKED CCN(C)C(=O)c1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 518668845 PJTDFRCAVZVZIC-UHFFFAOYSA-N 435.471 5.055 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cnc(Sc2nccn2C)c(Cl)c1 518740398 ZWYOCSLPFJNYDT-ZDUSSCGKSA-N 443.985 5.266 30 20 IKED COc1cc(C2(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)CCCC2)ccc1C 520796952 OUWALRSPDXJMCC-UHFFFAOYSA-N 441.531 5.822 30 20 IKED Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)cc12 521352842 SSXBSZSHWLNPAU-GOSISDBHSA-N 440.450 5.409 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 521726985 QWFMUDKHWMUFHX-LBPRGKRZSA-N 432.427 5.259 30 20 IKED C[C@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1ccccc1F 521793459 CNVVWNXIKJRFNL-LBPRGKRZSA-N 433.430 5.506 30 20 IKED N#Cc1ccc(CCC(=O)N2CCCc3c(NC(=O)CC4CCCCC4)cccc32)cc1 521849569 ORNZXEDWJCBGTC-UHFFFAOYSA-N 429.564 5.379 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccn(-c2ccccc2)n1 523321235 WFBBJTIFXYAXLA-UHFFFAOYSA-N 437.956 5.175 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(NC(=O)NC(C)C)c1 524405967 XKNIDDXMFGLCOR-UHFFFAOYSA-N 442.519 5.228 30 20 IKED Cc1cc(NC(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)nn1CCC#N 527332575 SMCTWTAIXYNJMM-UHFFFAOYSA-N 429.402 5.560 30 20 IKED C[C@@]1(c2ccccc2)CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCO1 532360739 DYCOXSPTPYHXRS-MHZLTWQESA-N 441.531 5.111 30 20 IKED CC(=O)c1cccc(OCc2cc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)no2)c1 536111935 GSDUWVZAJRNPON-HNNXBMFYSA-N 435.505 5.103 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 537929060 QTIITVPRGVOJGD-BWKNWUBXSA-N 427.504 5.558 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccccc2Nc2ccccc2)nnc1-c1ccco1 540806348 RQWOQMWEVYDCOB-UHFFFAOYSA-N 445.548 5.589 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 540864966 PJIIHMMTNNGONZ-CQSZACIVSA-N 442.441 5.468 30 20 IKED Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542923618 YEBDUBGGTZGQHO-SFHVURJKSA-N 438.531 5.309 30 20 IKED Cc1ccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1C(=O)N(C)C 543880800 VRXVQFFYHBMDPR-GOSISDBHSA-N 426.520 5.118 30 20 IKED Cc1ccc(C(=O)CC(C)(C)CC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 544761594 NEGZZMZZPFUQFJ-UHFFFAOYSA-N 441.531 5.990 30 20 IKED CS[C@@H]1C(=O)Nc2ccc(-c3noc(/C=C\c4cn(CCC#N)c5ccccc45)n3)cc21 546504908 NNEJBIDARKJGKE-ZVXDMYHRSA-N 441.516 5.132 30 20 IKED C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 549644173 JZNQGTKVZPXCCO-UHFFFAOYSA-N 443.526 5.241 30 20 IKED CCOC(=O)C(C)(C)C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 554160581 RXBMTOTVZOJXJS-UHFFFAOYSA-N 435.524 5.184 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1 558352716 MAVHDGOZKOHZCF-UHFFFAOYSA-N 438.507 5.141 30 20 IKED N#Cc1ccc(N2CCC(c3nc(-c4cccc(-c5cscn5)c4)no3)CC2)c(F)c1 565269622 CNURCXOLADQGDD-UHFFFAOYSA-N 431.496 5.255 30 20 IKED CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 567654618 PXPYJBWXUJKXPO-ZDUSSCGKSA-N 438.347 5.225 30 20 IKED C=CCn1c(-c2ncccc2C)nnc1N1CCC[C@H]1c1cc(F)cc(Br)c1 574961519 DLUNGLWRMIYDIS-SFHVURJKSA-N 442.336 5.078 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1nc(C(F)(F)F)cs1 575137263 ZIGPFNAGAHEYGV-NSHDSACASA-N 433.415 5.104 30 20 IKED N#Cc1cccc(-c2nnc(N3CCC(OC4CCCCC4)CC3)n2Cc2cccs2)c1 575415424 KZJKILUEBLGQCB-UHFFFAOYSA-N 447.608 5.245 30 20 IKED C[C@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1ccc(OCc2cccnc2)cc1 576093160 BSMZMCWTLNUYNW-CPJSRVTESA-N 428.536 5.456 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(CN4C[C@H](C)O[C@H](C)C4)cc3)n2)cc1 578685073 MACYXPHZQSPFFX-YYDVJCTNSA-N 445.588 5.218 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 580971017 VYTXBXCRPQCGEH-UHFFFAOYSA-N 442.906 5.428 30 20 IKED C=CCn1c(-c2cccc3ccccc23)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 581160069 AHKPATUKRQISRC-FZEVHQGJSA-N 430.577 5.219 30 20 IKED Cc1cc(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)sc1-c1ccc(F)cc1 588032949 WXRJYVIWYBOVEQ-STQMWFEESA-N 439.396 6.066 30 20 IKED N#CCCCOc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1 589414831 ICYMMFBVGUNIPK-UHFFFAOYSA-N 449.894 5.392 30 20 IKED N#Cc1ccccc1NC(=O)CCSc1nnc(-c2cccs2)n1Cc1ccccc1 589889694 OZNLYOMWJOWXND-UHFFFAOYSA-N 445.573 5.047 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1Cl 603673160 AXPPTOKEHBZBMB-HXUWFJFHSA-N 437.908 5.634 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CCc2cnn(-c3ccccc3)c2)cc1 604003920 RYKLMMAVILNQAX-UHFFFAOYSA-N 436.515 5.089 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)cc1 609227529 XPMWYYXRLVWUCO-DEOSSOPVSA-N 443.478 5.086 30 20 IKED Cc1c(C(=O)Nc2sc3c(c2C#N)CCCC3)cnn1-c1cccc(Br)c1 609261459 RGZXEWSOYTVFEW-UHFFFAOYSA-N 441.354 5.008 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCN(CCCc2ccccc2)CC1 609435506 RZCYJENVWOMVIF-OAQYLSRUSA-N 436.625 5.253 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1OCC 609496855 LJDLKVHKFNIQNM-QGZVFWFLSA-N 431.492 5.034 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccccc3OCc3cscn3)c2)c1 609647643 HWUOCYGZMMWGJC-UHFFFAOYSA-N 441.512 5.425 30 20 IKED Cc1cc(OCc2ccccc2)ccc1NC(=O)N1CCCN(c2ccccc2C#N)CC1 609773773 FTNBTWSBLVDHLQ-UHFFFAOYSA-N 440.547 5.190 30 20 IKED COc1cc(C(=O)N(CC#N)C2CCCC2)ccc1OCc1ccc(Br)s1 609976745 OKCKSZJDTRYNLT-UHFFFAOYSA-N 449.370 5.007 30 20 IKED COc1ccc2c(c1)OCC[C@H]2NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 610334672 GFCGORPNYJCFEN-HXUWFJFHSA-N 433.439 5.144 30 20 IKED Cc1nn(C)cc1[C@H]1CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 610730164 HCWZPMRPBSBZPW-NZQKXSOJSA-N 433.943 5.406 30 20 IKED CCOC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C1 611189975 FXYUKRAEFXMWEE-KRWDZBQOSA-N 440.927 5.199 30 20 IKED N#C[C@@H](C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccccc2)cs1 613392356 OBHKMASCKZXKKW-HNNXBMFYSA-N 440.368 6.338 30 20 IKED O=C(CC1CCC(C(F)(F)F)CC1)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 622585393 YKFQKWNRCGGIKS-WTNGLUPJSA-N 425.388 5.861 30 20 IKED N#C[C@@H](C(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1nc2cc(C(F)(F)F)ccc2s1 642282000 AXLKQDCOUKDKGH-IRXDYDNUSA-N 446.450 5.363 30 20 IKED FC(F)Oc1ccc(NN=Cc2cc(Br)ccc2OCc2ccccn2)cc1 726426918 MVMXWORXZNVVGR-UHFFFAOYSA-N 448.267 5.471 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2ccc(OC(F)F)cc2)cs1 726429847 SAKNSFHRUXIIKV-UHFFFAOYSA-N 430.480 5.492 30 20 IKED CC(C)(C)CN(CCC#N)Cn1nc(COc2ccccc2Cl)n(C2CC2)c1=S 729468689 YDBQOKLICXDPML-UHFFFAOYSA-N 434.009 5.201 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccc(N2CCCC2=O)cc1 730178113 NYTKDPHTNQMMHV-KRWDZBQOSA-N 443.478 5.107 30 20 IKED N#Cc1ccc(OCCCOC(=O)c2ccsc2NC(=O)c2ccccc2Cl)cc1 730367373 KMODYRPYACPOPR-UHFFFAOYSA-N 440.908 5.151 30 20 IKED N#C[C@@H](C(=O)COc1cc(Cl)c(Cl)cc1Cl)c1nc2cc(F)ccc2s1 730417676 PCGHGMISADXZRX-VIFPVBQESA-N 429.687 5.651 30 20 IKED C[C@H]1CCc2sc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2C1 731061062 OZAPHMNOMXWPED-GJZGRUSLSA-N 428.579 5.063 30 20 IKED CC(C)c1ccc2cc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)[nH]c2c1 731068487 AFCOQBLRPAPDFG-INIZCTEOSA-N 435.549 5.481 30 20 IKED Cc1c(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)sc2ccc(F)cc12 731074723 VAEGORGBDJIBIG-ZDUSSCGKSA-N 442.537 5.396 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 731079891 ZHYNICJWIZNIMW-JLSDUUJJSA-N 428.941 5.020 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1nc(-c2ccc(Cl)cc2)cs1 731288202 OONOKPKQSFSZFM-UYAOXDASSA-N 449.963 5.192 30 20 IKED CC(C)c1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 732377268 FZELVZYDFHVUGX-UHFFFAOYSA-N 428.488 5.464 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)c1 733806261 IHJCGODTXQXOKN-XMMPIXPASA-N 448.611 5.133 30 20 IKED C=CCNC(=O)c1ccccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 734994691 UEYKRSKLBONFCL-UHFFFAOYSA-N 431.879 5.172 30 20 IKED C#CCOc1ccc(C(=O)N(C)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1 741567706 XTVDYSXWIULTQT-UHFFFAOYSA-N 426.394 5.181 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 742526709 SHLWKKXUKSZEHR-AUSIDOKSSA-N 435.568 5.199 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)cc1 744936861 XWGSOVROWZFCFB-HNNXBMFYSA-N 444.343 5.640 30 20 IKED O=C(/C=C\c1csc(COc2ccc(Cl)cc2)n1)c1ccc(-c2ccncc2)cc1 745990323 QRMSKMKCGQCDDC-YFHOEESVSA-N 432.932 6.334 30 20 IKED N#CCOc1ccc(CNC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)cc1 746207971 ZCPOMNBZVSPOLX-UHFFFAOYSA-N 446.506 5.766 30 20 IKED N#C[C@@H](C(=O)CSCc1cscn1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 747210624 PFTHHPDZZHASNI-WRQGHLQJSA-N 429.636 5.177 30 20 IKED N#Cc1ccccc1N1CCC(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 747336109 NLFCGABPVZYUIV-RUZDIDTESA-N 427.573 5.177 30 20 IKED CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2cc(C#N)cs2)NC(=O)N1Cc1cccs1 747959135 FGCDJCAZKQMUAU-OAQYLSRUSA-N 448.573 5.169 30 20 IKED N#Cc1ccccc1N1CCC(NC(=O)c2ccc(CSc3ccccc3)cc2)CC1 749529993 JTGFEJJLFYFHNF-UHFFFAOYSA-N 427.573 5.249 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(OCC)cc2C(F)(F)F)cc1C#N 752211471 AXYGBNVVLXDIIH-UHFFFAOYSA-N 436.390 5.188 30 20 IKED C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H](O)c1c(Cl)cccc1Cl 752680320 WBONJWLMMVECRT-QHRIQVFBSA-N 438.380 5.631 30 20 IKED O=C(/C=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cc(Br)ccc1F 763120951 BRQGKOFZTBIZBI-ALCCZGGFSA-N 433.258 5.516 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc4c(c3)CCC4)n2)cc1 766326440 QWOAGINOYMHGME-JOCHJYFZSA-N 427.529 5.206 30 20 IKED Cc1cc(C(=O)O[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)nc(C(F)(F)F)n1 777715040 PURHBNFLFHPJLR-NSHDSACASA-N 432.242 5.283 30 20 IKED C=C(C)CN(C)C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 778131236 ZNPNFNBAFLYJRX-UHFFFAOYSA-N 427.620 5.604 30 20 IKED Cc1nc(CCC(=O)OCC2(C#N)CCCCC2)oc1-c1ccc(Br)cc1 780486121 HSEXLNIEOIVVFR-UHFFFAOYSA-N 431.330 5.362 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 780512139 UHLGWVQFQVOIJH-GOSISDBHSA-N 426.476 5.267 30 20 IKED CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 782708148 FZWQMWYGPVUAIN-AREMUKBSSA-N 426.564 5.851 30 20 IKED C#Cc1cccc(NC(=O)C(=O)Nc2c(Oc3ccc(Cl)cc3)ccc3ncccc23)c1 783004987 NMYJTZMMUISXDJ-UHFFFAOYSA-N 441.874 5.239 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(Cc2ccccc2Cl)CC1 784279770 CICRIIXLZNYAKT-INIZCTEOSA-N 442.968 5.239 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 789183271 PCDZFEROZFJTPE-KKSFZXQISA-N 433.487 5.266 30 20 IKED C#CCn1ccc(CN(CC)[C@@H](C)c2nc3cc(Cl)ccc3n2Cc2ccccc2)n1 789332797 XDKBMGKLGFATFW-IBGZPJMESA-N 431.971 5.151 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCOc2c1ccc(Cl)c2Cl 792780536 SUBPKCGWBMJCCB-WFASDCNBSA-N 436.364 5.890 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)[C@H](CC)Cc1ccc(C(F)(F)F)cc1 793126502 TUJUTYQTQGXAMS-AEFFLSMTSA-N 432.442 5.020 30 20 IKED CC(C)c1ccc2c(c1)C(=NNc1ccc(-c3cccc(C(F)(F)F)c3)nn1)C(=O)N2 794982105 SHXSNUGXHDIZJQ-UHFFFAOYSA-N 425.414 5.054 30 20 IKED C[C@@H](CC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)C1CCN(C(=O)OC(C)(C)C)CC1 797568047 OBVCJSRWBACLOK-RDJZCZTQSA-N 433.618 5.290 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Br)c(F)c3)n2)cc1 810549572 NNXUBTSORWWYNL-HNNXBMFYSA-N 445.313 5.139 30 20 IKED C[C@@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1ccc(N2CCCNC2=O)cc1 812903312 SGHFJGKZCKKPPI-JOCHJYFZSA-N 438.575 5.157 30 20 IKED N#Cc1ccc(OCc2nc(-c3ccsc3C(F)(F)F)no2)cc1Br 904921103 FRUIQNVIEJSGIV-UHFFFAOYSA-N 430.205 5.030 30 20 IKED COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 915102935 LJHAUEPACWSVKM-OAHLLOKOSA-N 447.343 5.553 30 20 IKED O=C(Nc1cccc(/C=C\C(=O)c2sccc2Br)c1)c1ccccc1Cl 915113302 NJZJDCLQDRYQDX-HJWRWDBZSA-N 446.753 6.312 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cc(F)ccc1[N+](=O)[O-] 915790835 VPHOAEFOBSLTKC-UHFFFAOYSA-N 434.880 5.036 30 20 IKED O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C=NNCc2cccc3cccnc23)cc1 915961853 DJLPQNDCNICSFD-UHFFFAOYSA-N 448.486 5.119 30 20 IKED CCOC(=O)c1c(-c2ccc(C)s2)csc1NC(=S)Nc1ccccc1C#N 915998553 APXRZAAFEWNDKK-UHFFFAOYSA-N 427.576 5.642 30 20 IKED CC1=CC(=O)[C@@H](C(=O)/C=C\c2ccc(Oc3cc(C)ccc3C(C)C)c([N+](=O)[O-])c2)C(=O)O1 916136921 FOMWUJQTQIYVAX-NKJPNPRLSA-N 449.459 5.047 30 20 IKED CCOc1cc(C=Nn2c(S)nnc2-c2ccccc2F)ccc1OCc1ccccc1 916319832 OOIIHNGFBLJQQF-UHFFFAOYSA-N 448.523 5.233 30 20 IKED COc1ccc(Cl)cc1CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916907697 ZRLQBNHQEVYNPF-IBGZPJMESA-N 434.879 5.031 30 20 IKED N#C[C@@H](C(=O)/C=C\c1ccccc1OC(F)(F)F)C(=O)Nc1cc(Cl)cc(Cl)c1 916946423 UCSHWVXHQQWFHK-YVACAVLKSA-N 443.208 5.253 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCSc3nc4ccccc4s3)n2)cc1 916974752 PHCSJLGBSRNAPZ-INIZCTEOSA-N 435.599 6.087 30 20 IKED CCN(CC)c1ccc(C=Nc2cccc(NC(=O)COc3ccccc3OC)c2)c(O)c1 917557295 DXPMMKFWNIHHBP-UHFFFAOYSA-N 447.535 5.015 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(N(C)C)cc2)cs1 917560149 RWFJQRBUESSBPG-MDWZMJQESA-N 425.941 5.443 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(CC(=O)NC3CCCC3)CC2)cc1 920059980 BWAXYXPRYIMIGE-VWLOTQADSA-N 444.579 5.035 30 20 IKED N#C[C@@H](C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1nc2cc(Cl)ccc2s1 920112495 BVUAGHPOUBWAQX-AWEZNQCLSA-N 446.841 5.644 30 20 IKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccsc4)cc3)CCC2)c1 1787282547 PMHKQFZZUJMZJU-UHFFFAOYSA-N 429.545 5.000 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CNc3ccc(F)cc3)cc2)CCC1 1787983989 YLAVYJMFHKQXDL-HSZRJFAPSA-N 435.543 5.140 30 20 IKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)CCC1 1788990537 MQHJKZPFTZWGMM-UHFFFAOYSA-N 437.952 5.606 30 20 IKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)C3=COCCC3)CCC2)cc1)c1ccccc1 1789600331 HVNGPKROYOOYMA-RUZDIDTESA-N 442.559 5.012 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(Cl)c4)cc3)CCC2)cc1 1790265655 VVYLOUAOXSRTBJ-UHFFFAOYSA-N 443.934 5.468 30 20 IKED C#CC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCc4c3[nH]c3ccc(Cl)cc43)cc2)CCC1 1790465389 ZUKMFHNQANZWAZ-HXUWFJFHSA-N 445.950 5.009 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc4cc(C)[nH]c34)CCC2)cc1 1791727382 JFHDNHLQZAMMKY-UHFFFAOYSA-N 427.548 5.418 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@H]4C4CC4)CCC3)cc2)c1 1792123190 MTLKAWHYWDFMNR-CQLNOVPUSA-N 427.548 5.107 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)CC(=C)C)[C@H]1c1cccnc1 1802495262 AIEZXKIBERJZEB-YADHBBJMSA-N 425.617 5.072 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](C)c2cccs2)[nH]n1 1814830208 SEBSBBQDFOHQII-QFBILLFUSA-N 426.586 5.035 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3sccc3[nH]2)n[nH]1 1819187810 NGUFPNHAGXQRLN-GOSISDBHSA-N 439.585 5.251 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)c(F)cc2F)[nH]n1 1819556076 RMHCBIGDFCPSDH-LJQANCHMSA-N 448.489 5.125 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](c3ccc(F)cc3)C(C)C)CC2)C1 1823703262 VAIYXISLKLQUHF-DQEYMECFSA-N 440.603 5.151 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(C)cccc3[nH]2)CC1 1828577552 SYMRQKMATOSLOZ-ATIYNZHBSA-N 447.623 5.478 30 20 IKED Cc1cc(C)cc(-c2nnc(SCC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)o2)c1 10994784 YBSBTUYFBGXZTN-UHFFFAOYSA-N 440.956 5.354 30 20 IKED COc1ccc(NC(=O)[C@@H](OC(=O)/C=C/c2ccccc2C#N)c2ccccc2)cc1Cl 11184057 HWDNJRAQQHVMDA-PSVMIJIFSA-N 446.890 5.157 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2ccccc2)c1 14872187 RGIUDEWUAALVDP-UHFFFAOYSA-O 430.380 5.894 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2SC)nc2sc(C)c(C)c2c1=O 22055698 KDDZEZKAFPICMH-AWEZNQCLSA-N 445.635 5.102 30 20 IKED C=CCn1c(SCc2ccccc2Oc2cccnc2)nnc1-c1ccccc1OC 63436759 UUKGRMJOFZPKDF-UHFFFAOYSA-N 430.533 5.619 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2nc(-c3ccco3)no2)cc1Cl 107875134 NZUISDHUUSAEKK-GOSISDBHSA-N 432.867 5.210 30 20 IKED CCCCn1c(SCc2ccc(-c3ccccc3C#N)cc2)nnc1[C@@H](CC)N(C)C 218125315 XAPMVKQDRXXKDY-HSZRJFAPSA-N 433.625 5.922 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CNCc2cccc(C#N)c2)cs1 236730418 QCUHZRXYIQXKGP-UHFFFAOYSA-N 430.455 5.008 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](c1ccccc1)c1ccco1 409474660 LARDMVRKALHKBB-OAQYLSRUSA-N 443.316 5.668 30 20 IKED O=C([C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 410174799 WYECFTSFIYYQEN-UONOGXRCSA-N 441.387 5.741 30 20 IKED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)nc12 429558641 FPQIWOMOVCLMMI-SFHVURJKSA-N 427.851 5.074 30 20 IKED Cc1ccc2nc(-c3cccnc3)cc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)c2c1 430619544 GHOZZIFMHLHTPP-LJQANCHMSA-N 426.545 5.849 30 20 IKED CCn1c(SCC(=O)Nc2cccc(C#N)c2C)nnc1-c1ccc(Cl)cc1Cl 431862772 PBGPUERXTSFIGA-UHFFFAOYSA-N 446.363 5.183 30 20 IKED C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 434211928 OZIQKXMJBVCXDX-BCHFMIIMSA-N 441.531 5.188 30 20 IKED C=CCn1c(S[C@@H](C)Cc2ccc3ccccc3n2)nnc1[C@@H]1COc2ccccc2O1 434799032 OANOKCDVVORJLV-SBUREZEXSA-N 444.560 5.248 30 20 IKED CCCCOc1ccc(NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C)c1 437256621 MKYUBAJFHCJPPD-KRWDZBQOSA-N 425.554 5.145 30 20 IKED Cc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(C)n1Cc1ccccn1 437501571 OMILKLPLENXRDX-UHFFFAOYSA-N 440.478 5.604 30 20 IKED C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 437756427 HQOZGDBTLOAQKT-SIBVEZHUSA-N 443.522 6.086 30 20 IKED CC(C)c1nnc2n1CCN(C(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)[C@@H]2C 439231607 VTRXITBGPVOVKM-OXQOHEQNSA-N 448.958 5.319 30 20 IKED C[C@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 439603568 MBQILGVPNRGWFL-SFHVURJKSA-N 428.467 5.237 30 20 IKED N#Cc1ccc(NC(=O)C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)c(F)c1 440756233 MHXBDWMIMJRPOL-UHFFFAOYSA-N 443.356 5.086 30 20 IKED CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N 441237007 VOWKFYVSKVCNFT-PZJWPPBQSA-N 437.609 5.055 30 20 IKED C=CCC[C@H](NC(=O)Nc1cccc(N2CCCNC2=O)c1)c1ccc(C(F)(F)F)cc1 442215351 DDDDISQPYPCXQD-FQEVSTJZSA-N 446.473 5.454 30 20 IKED O=C(CN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)Nc1ccc(F)c(F)c1 444740643 WMUGKIBEGKHSKO-OAHLLOKOSA-N 426.307 5.205 30 20 IKED N#Cc1ccccc1Oc1ccc(-c2nc(COCC(F)(F)C(F)F)no2)cc1Cl 445753817 VBWFJUFHYKEDQW-UHFFFAOYSA-N 441.768 5.471 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1Cc2ccccc2C[C@H]1c1ccccc1 448356634 UUDLVHXECGWFMW-CYFREDJKSA-N 427.573 6.412 30 20 IKED Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)Cc1ccc(C#N)cc1 460336150 RMWDNQLLIBOYGB-UHFFFAOYSA-N 426.495 5.785 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N[C@H](c2cccc(OC)c2)c2ccccc2Cl)cc1 466032863 BHXSTOVADNRSDH-HSZRJFAPSA-N 449.938 5.176 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3cccc(C[S@@](=O)C4CCCCC4)c3)on2)c1 469055724 TYRRHFKEPTZHDD-WJOKGBTCSA-N 433.533 5.047 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N(Cc3ccccc3)CC(F)F)c2)cc1 469504577 HKXPIIIVKNOBRQ-UHFFFAOYSA-N 435.474 5.631 30 20 IKED Cc1c(NCC(=O)N(CCC#N)c2cccc(Cl)c2)cccc1NC(=O)c1ccccc1 470547258 NZPMGDPSAMAHBQ-UHFFFAOYSA-N 446.938 5.260 30 20 IKED N#Cc1ccc(-c2nnc(CNc3ccc(Oc4cccc(C(F)(F)F)c4)cc3)o2)cc1 471634370 JQUPQCHXLIZHMB-UHFFFAOYSA-N 436.393 6.031 30 20 IKED COc1cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c(OC)cc1NC(=O)c1ccccc1 474200530 WQFVCLDSGHXHOW-UHFFFAOYSA-N 443.503 5.010 30 20 IKED C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)C[C@H](CC#N)c1ccccc1)OCCO3 474413891 PSYRAOZWIYWLSM-CTNGQTDRSA-N 430.548 5.260 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)n1 474445013 JWOZBLLLTDRRTF-LJQANCHMSA-N 432.574 5.697 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(Br)cn1 475241092 MUJDVMDDUAJVPM-AWEZNQCLSA-N 437.297 5.391 30 20 IKED N#CCCCOc1cccc(NCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c1 476351702 BMKHULNKHIPLNY-OAQYLSRUSA-N 432.351 5.452 30 20 IKED C[C@@H](NC(=O)c1ccccc1Oc1ccccc1C#N)c1nc(-c2ccncc2)cs1 477713707 VGCLNIBXYJAHDZ-MRXNPFEDSA-N 426.501 5.360 30 20 IKED C=C(C)[C@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C)c1ccc(F)c(F)c1 477739918 GLQBMVILPGRWFT-PMACEKPBSA-N 430.886 5.058 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3cc(Cl)ccc3-c3ccc(C)o3)C2)n1 477890798 LOFUSGRWLHKASG-SFHVURJKSA-N 434.927 5.339 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1cc(C)n([C@@H](C)C2CC2)n1 480663432 WWAXSMCFZZRPMZ-SFHVURJKSA-N 429.524 5.566 30 20 IKED CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 481029769 BNSYMCIHSGYCOX-KRWDZBQOSA-N 445.972 5.026 30 20 IKED N#CCCN(C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)C12CC3CC(CC(C3)C1)C2 486569077 YDIKIQJEVPYQAH-UHFFFAOYSA-N 444.457 5.080 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](CC)C(=O)c3ccc(NC(C)=O)cc3)o2)cc1 489806749 QROMVNVDEZCTGC-FQEVSTJZSA-N 437.521 5.013 30 20 IKED CC(C)(C)Oc1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cn1 490394844 ARWZUVPKWPODSJ-UHFFFAOYSA-N 444.535 5.226 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)Nc3nc4cc(C#N)ccc4n3CC)s2)cc1 490766320 AYKDZVRNMLMEKP-UHFFFAOYSA-N 431.521 5.011 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(CCCN(C)C)CC1 492080352 MKZQJDRBCMPAHF-UHFFFAOYSA-N 434.584 5.031 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CC4(CCCCC4)C3)s2)c(C(F)(F)F)c1 496317748 BBZOGUUXTRMYMC-UHFFFAOYSA-N 434.487 5.422 30 20 IKED CCc1sc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1Br 497359576 BBWTURFVCRGTAL-ZDUSSCGKSA-N 442.363 5.558 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl 498032860 YQMHPLCAILTZMN-NSHDSACASA-N 431.772 5.041 30 20 IKED COCCOc1cccc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 502634151 LPEDFEOILMJUOE-UHFFFAOYSA-N 431.492 5.001 30 20 IKED O=C(CNc1ccc(F)cc1OCC(F)(F)F)Nc1cc(C(F)(F)F)ccc1Cl 505779937 ZRIJMZWPVBQIRT-UHFFFAOYSA-N 444.734 5.490 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)CCc2ncc(-c3ccccc3Br)o2)cc1 506195964 ZRWKPYRXOCQUAI-UHFFFAOYSA-N 438.325 5.477 30 20 IKED C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 508716946 PRMBBDUNCAMRRN-MRXNPFEDSA-N 442.498 5.277 30 20 IKED CN(CCOc1ccc(F)cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509900759 SRLYMORDNJHQFN-UHFFFAOYSA-N 433.483 5.013 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1-c1ccnn1C 509902957 XROKFASYCVJLIO-LJQANCHMSA-N 428.517 5.018 30 20 IKED CCCCCNC(=O)C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 510887460 NWGCKUAAPKMWCV-UHFFFAOYSA-N 448.567 5.209 30 20 IKED C[C@H](C#N)CSc1ccccc1NCc1nc(-c2ccc(Br)s2)no1 511665344 JQLNGCIKIAQKGW-LLVKDONJSA-N 435.372 5.424 30 20 IKED COc1ccc(-c2ccc(C)c(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)c2)cn1 513014244 GMZKPLVIHFHUHV-UHFFFAOYSA-N 436.471 5.377 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccc(CC#N)cc2)c(OC)c1 513016533 JXAXPYKWYXTXFO-UHFFFAOYSA-N 439.515 5.489 30 20 IKED N#Cc1c(F)cccc1-n1ccc(NC(=O)N2Cc3ccccc3C[C@@H]2c2ccccc2)n1 513103649 XGNWGLAFVVVXFV-XMMPIXPASA-N 437.478 5.215 30 20 IKED N#Cc1cnc(Sc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)c(Cl)c1 513614809 KPWRBQUUWBRDQV-UHFFFAOYSA-N 425.304 5.054 30 20 IKED N#C[C@@H](C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1nc2ccccc2s1 513687128 MFIOGKKUFPUEPR-KRWDZBQOSA-N 428.473 5.307 30 20 IKED N#Cc1ccccc1-c1ccc(CSc2nnc(-c3ccc(OC(F)F)cc3)o2)cc1 514337255 RDMVYLUJHCKBQT-UHFFFAOYSA-N 435.455 6.169 30 20 IKED CCn1c(SCC(=O)Nc2ccccc2CC#N)nnc1-c1ccc(Cl)cc1Cl 516809417 SEEUNFHWWSOEAU-UHFFFAOYSA-N 446.363 5.069 30 20 IKED C[C@H](NC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1)c1ccc(C#N)cc1 517597105 HVVZXCPFDITTQX-SFHVURJKSA-N 439.519 5.031 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccccc2OCc2ccc(Cl)cc2)n1 517915932 YTYQTRWYEBYFBS-KRWDZBQOSA-N 440.908 5.042 30 20 IKED C=CCN(CCc1ccccc1)C(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 519488981 YFCYGZJVCTWZNZ-UHFFFAOYSA-N 445.529 5.110 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1ccc(C(F)(F)F)cn1 520076451 MBDBWDIJMCHVNC-GFCCVEGCSA-N 442.249 6.021 30 20 IKED CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 520598249 XXOQALGHQZVLEP-SFHVURJKSA-N 442.519 5.657 30 20 IKED CC(C)(C)c1csc(CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)n1 521489806 XZWBJKJYMPRGPE-UHFFFAOYSA-N 435.618 5.577 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(CSc3ccccc3)cc2)c1C 523536287 PZYRIWNOBCJVQH-UHFFFAOYSA-N 438.556 5.905 30 20 IKED C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ncc(-c2ccccc2)o1 523551021 HWSITNBURFFPOB-OAHLLOKOSA-N 429.505 5.143 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 523909244 MOZKWCWPWAIADB-DNVCBOLYSA-N 432.014 6.056 30 20 IKED C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1ccc(C#N)cc1 524101539 XQTZVFXIPBGRJK-CQSZACIVSA-N 426.451 5.269 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2ccccc2)CC2CCOCC2)cc1 524152542 JORSFRHLLIYSBL-UHFFFAOYSA-N 441.531 5.811 30 20 IKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)CCc1c(C)nn(CCC#N)c1C 524413742 RZMQZTHAEHWITL-OAQYLSRUSA-N 430.552 5.433 30 20 IKED CCN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)[C@@H](C)Cc1ccc(OC)cc1 524487415 IDSSWEVECKQNPY-FQEVSTJZSA-N 428.532 5.239 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 532651674 DENBUENCVDJIEW-UHFFFAOYSA-N 446.385 5.091 30 20 IKED C[C@@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nc(-c2ccccc2)no1 534087341 GOYAVOXPGVOJKI-KRWDZBQOSA-N 439.475 5.326 30 20 IKED CC(C)[C@@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1nc(C2CC2)no1 534874504 GTLMXEFTOUSNIE-HXUWFJFHSA-N 436.899 5.391 30 20 IKED Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)Nc1cc(C#N)ccc1OC(F)F 537708149 UARDURVDTAOJLV-UHFFFAOYSA-N 427.476 5.503 30 20 IKED C[C@H](N[C@@H](CCC#N)c1ccccc1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 537951250 FMMQQWXTSQWWGN-CPJSRVTESA-N 439.625 5.383 30 20 IKED CC[C@@H](NC[C@@H](C#N)CCC#N)c1ccccc1OCc1ccccc1Br 539260936 JJWKMVQWSVJDFE-DYESRHJHSA-N 426.358 5.512 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)n2)c1 541292273 HSJXWILQPTVUFT-UHFFFAOYSA-N 440.406 5.608 30 20 IKED C[C@@H](NC(=O)C(C)(C)NC(=O)Nc1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 542988458 GXIFNZPXLLOUOV-GOSISDBHSA-N 426.520 5.003 30 20 IKED C[C@H](NC(=O)N(C)[C@H](C)c1ccc([S@@](C)=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 543019004 XCWGRMTUYMMYCN-USCOGLTBSA-N 445.588 5.426 30 20 IKED C[C@H](NC(=O)C1(OCc2ccccc2)CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 543856090 IEQOWUCROSHCHN-NRFANRHFSA-N 440.543 5.168 30 20 IKED Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1S[C@H](C)CC#N 550303374 AYMYOYLRIZKNBE-LLVKDONJSA-N 434.315 5.312 30 20 IKED N#CC1(N(C(=O)c2cccc(Sc3cccc(Br)c3)n2)C2CC2)CCC1 551311772 LTKCBGIUYGOXTB-UHFFFAOYSA-N 428.355 5.046 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(Br)c(OC(F)(F)F)c3)[nH]c12 555189723 QNUCBYPWFRVDDT-NSHDSACASA-N 438.203 5.023 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2Cl)c1 558026318 ZVHDIDQAUBQBQV-UHFFFAOYSA-N 426.307 5.102 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCCC[C@H]3c3nnc(C4CCC4)o3)c2)c1 558262753 HPLJWZOTPQEQNP-QHCPKHFHSA-N 442.519 5.155 30 20 IKED FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1noc([C@H]2CCCC(F)(F)C2)n1 564279562 ODVVOULLDBALMV-QMMMGPOBSA-N 431.283 5.384 30 20 IKED Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 578385968 JNLYCOVDFYZYLL-VQTJNVASSA-N 437.609 5.574 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2nc(-c3ccc(O)cc3)cs2)c1 578562319 AUWGEAIBZFGKIA-UHFFFAOYSA-N 427.485 5.219 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1nc2ccccc2cc1Br 582382362 FDXZWGWHCUQMAI-ZDUSSCGKSA-N 426.339 5.644 30 20 IKED N#Cc1ccc(NC(=O)c2cccnc2Oc2ccc(F)cc2Br)cc1Cl 603776579 YEDQOEAOPXGKBT-UHFFFAOYSA-N 446.663 5.553 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ncc(-c3ccccc3)o2)cc1 603831643 QFSHFASNNAHILU-UHFFFAOYSA-N 438.487 5.308 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CSc2ccc3ccccc3c2)cc1 604004156 ZNFHDRQFNYOSCY-UHFFFAOYSA-N 438.552 6.216 30 20 IKED N#C[C@@H](Cc1ccccc1)Sc1nc2ccccc2c(=O)n1Cc1ccccc1Cl 604032972 BPZSYPWWVMCYRL-LJQANCHMSA-N 431.948 5.325 30 20 IKED Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 604232262 UEDRUDDSBOPLOQ-INIZCTEOSA-N 449.624 5.159 30 20 IKED CSCc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)oc2ccccc12 604445330 VLNNOMMTDUMSNH-ZDUSSCGKSA-N 440.496 6.188 30 20 IKED N#CCCCOc1cccc(NC(=O)C(=O)N[C@@H](CC2CCCCC2)c2ccccc2)c1 608799169 LIGPFRYJXOSCJW-DEOSSOPVSA-N 433.552 5.136 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(COCCc2ccccc2)c1 608916009 HSAUUEPJJJQNMT-UHFFFAOYSA-N 427.548 5.760 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(-c2cccc(F)c2)no1 609061134 KCAYSBIRXFFTSX-UHFFFAOYSA-N 427.435 5.492 30 20 IKED N#Cc1ccc(N2CCC(NC(=O)Nc3ccc(F)cc3-c3ccc(Cl)cc3)CC2)nc1 609137679 YTUGYJKTXMTMHI-UHFFFAOYSA-N 449.917 5.203 30 20 IKED Cc1ccnc2sc(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)c(C)c12 609172645 AEDQRJRPOKUDAR-NRFANRHFSA-N 427.529 5.487 30 20 IKED CC(C)c1ccc(-c2noc(CCC(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)n2)cc1 609460555 RAPRLTKGXOQWAT-IBGZPJMESA-N 443.334 5.480 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 609723884 JSOCUYCATCYZIG-INIZCTEOSA-N 447.947 6.651 30 20 IKED CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1 609991257 ODVZRNNAEXDWJY-SFHVURJKSA-N 426.520 5.216 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2 610893438 FCVZOJFNKCZJFD-RCRDTURJSA-N 426.479 5.958 30 20 IKED Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 611124987 SBPOCUKLYVCVAI-MRXNPFEDSA-N 435.553 5.859 30 20 IKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)Cc1c(C#N)c(C)nn1-c1ccccc1 611520661 LPODFQBWWBQCTI-UHFFFAOYSA-N 446.942 5.168 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)CC[C@H]2C)cc1 611556900 UYJSYTDQNFJXJV-ZBFHGGJFSA-N 433.430 5.554 30 20 IKED Cc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(N2CCCC2)n1 611582474 ABLWTTDYWFFEAC-UHFFFAOYSA-N 441.535 5.284 30 20 IKED C[C@H](Oc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cn1)c1ccccc1 613404442 RAHRUNWLSXXRGW-YJBOKZPZSA-N 432.430 5.456 30 20 IKED CC(C)(C)[C@@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1 616089776 FWZWXQMHQDRAED-XNISGKROSA-N 442.419 6.122 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N(C)Cc2ccccc2C)nnc1-c1ccc(Cl)cc1 617896051 IIAMNVYXWYXKAA-KRWDZBQOSA-N 441.000 5.232 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 618738025 AZSMCIFECXLHBY-LJQANCHMSA-N 426.303 5.256 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(OC(F)F)cc2)nnc1-c1ccccc1F 645077393 UMWSEEQHTHJETI-ZDUSSCGKSA-N 433.455 5.235 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674552977 BLWFIAXOHOJVPX-HZPDHXFCSA-N 432.389 5.352 30 20 IKED O=C(COc1ccc(C(=O)/C=C\c2cnc(-c3ccccc3)s2)cc1)Nc1ccccc1 727264468 RPDMKKHIKFUZFI-NXVVXOECSA-N 440.524 5.724 30 20 IKED Cc1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c(Br)c1 730417582 QFOINXGZJNDCET-YPMHNXCESA-N 433.302 5.150 30 20 IKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@@H](C)c3cccnc3)C2=O)cc1 730944579 YISWHHNCEOZYRS-AVRDEDQJSA-N 444.560 5.112 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 731114725 WNJJGIVDPZJHLM-KRWDZBQOSA-N 446.617 5.049 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1cc(-c2ccccc2)on1 736009470 CICHKKNSFCBKAA-UHFFFAOYSA-N 429.289 5.001 30 20 IKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)COC(=O)c3ccc(Cl)cn3)c2C#N)C1 736858294 ZZZDRNHCMVOCLK-ZDUSSCGKSA-N 445.972 5.005 30 20 IKED O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCc1nc(C(F)(F)F)cs1 740838024 YJJNHKFSQQVUKF-OWOJBTEDSA-N 448.310 5.529 30 20 IKED CSc1ccc(O[C@@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 741111327 KJHFTJLYKSYYSB-LAUBAEHRSA-N 446.528 5.316 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc(Cl)c1OC 741447838 QFICIIHQWXIDPM-MDWZMJQESA-N 448.968 5.360 30 20 IKED CC(C)(C)c1ncc(/C=C\C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)s1 742551434 OWTOPTWMDHHBFK-QXMHVHEDSA-N 431.561 5.738 30 20 IKED CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccccc1S[C@H](C)CC#N 743147559 ULMUAQVWZCKBCD-CQSZACIVSA-N 448.386 5.603 30 20 IKED CC1=C(C(=O)Nc2ccccc2C(C)C)[C@H](c2ccc(C#N)o2)NC(=S)N1CC(C)C 743741019 YKZYKBSDWOMLAD-QFIPXVFZSA-N 436.581 5.075 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 744841005 SLUWFDLUEGSLOG-CLOONOSVSA-N 442.515 5.199 30 20 IKED CC(C)N(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)Cc1cccc(C(F)(F)F)c1 746146571 DOXYNAOGYLBZNS-IBGZPJMESA-N 438.453 5.153 30 20 IKED Cc1noc(C(F)(F)F)c1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 746258757 AVUQYJXARBTMMV-UHFFFAOYSA-N 449.282 5.599 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)CCc2nc3cc(Br)ccc3s2)n1 747196208 JAUYNTUHBHQWIQ-GFCCVEGCSA-N 434.384 5.448 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](OCCCc3ccccc3)C2)cc1 752636517 LTYLKSIDPBKKIL-SXOMAYOGSA-N 439.559 5.598 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc([N+](=O)[O-])cc1F 755611866 UCILYARAUMKGEO-NOZJJQNGSA-N 437.374 5.342 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cc1ccccc1NC(=O)OC(C)(C)C 756516671 VVTMQTRRVSCEDE-HXUWFJFHSA-N 449.551 5.048 30 20 IKED C[C@@H](ON=Cc1c(Cl)nc2ccccn12)c1nnc(-c2ccc(Cl)cc2Cl)o1 757621239 BFQQQGUJAPNYPO-SNVBAGLBSA-N 436.686 5.456 30 20 IKED COc1ccc(-c2cncc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c2)cc1 757875043 MYRJYUVAICQZRD-FQEVSTJZSA-N 440.286 5.025 30 20 IKED COc1ccc([C@H](NC(=O)Cc2cccc(OCC#N)c2)c2ccccc2Cl)c(C)c1 760517667 CEKXYIKLBUQPGR-VWLOTQADSA-N 434.923 5.008 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCCC[C@H]2CCc2ccccc2)ccc1OC 760834181 VBHNLCADRBTUFN-XZOQPEGZSA-N 435.568 5.073 30 20 IKED Cc1ccc(N2C[C@H](C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)CCC2=O)cc1C 760970580 UMTJIRRTKGKCCD-TZIWHRDSSA-N 429.545 5.046 30 20 IKED C[C@@H]1CCCCN1CCC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 764052812 NFKYMAILCKPZHF-AMGIVPHBSA-N 444.623 5.850 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2CCC(c3ccc(Cl)cc3)CC2)c1=S 774636647 MTUVGZBWYJUOMY-UHFFFAOYSA-N 425.989 5.153 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 777584220 ZQMLJVUBTJLLRK-LJQANCHMSA-N 434.584 5.220 30 20 IKED C=CC[C@@H](C(=O)O[C@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)c1ccccc1 778429851 YUWRQOZYSIBOKM-DYESRHJHSA-N 448.544 5.231 30 20 IKED CC[C@@H](C#N)Oc1cccc(CN[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c1 779103852 GBTDYRJUSLAUIW-FNZWTVRRSA-N 448.950 5.671 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 780302023 LPHOWDRHWXGFDC-OAQYLSRUSA-N 432.483 5.329 30 20 IKED COc1ccccc1-c1ccc(CN(C(=O)Nc2ccccc2O[C@H](C)C#N)C(C)C)cc1 780679360 AWHYXURDLCEGOU-HXUWFJFHSA-N 443.547 6.096 30 20 IKED CCc1sc(-c2nnc(COC(=O)c3cn(CCCC#N)c4ccccc34)o2)cc1C 785018501 PXVKVZNMHYQDGD-UHFFFAOYSA-N 434.521 5.284 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1Cl 787048704 HAVNCYOWBBTTAW-BONVTDFDSA-N 429.225 5.212 30 20 IKED Cc1c(C(=O)/C=C/c2cc(Br)c(O)c(Br)c2)cnn1C(C)(C)C 787187580 XPWDKCZPPTVZFE-AATRIKPKSA-N 442.151 5.073 30 20 IKED COc1ncc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1Cl 789157453 MCXCSRIGQCVQSQ-GQCTYLIASA-N 449.866 5.059 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1 789343631 MRJTXJOLGWJHQN-OAHLLOKOSA-N 442.393 5.325 30 20 IKED CCc1nn(C)c(CC)c1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 791779113 XCAPTIQHXQLARF-OAHLLOKOSA-N 447.391 5.394 30 20 IKED N#CCSc1ccccc1C(=O)N[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21 809198012 YUJBCIDAUDLKAL-GOSISDBHSA-N 440.366 5.353 30 20 IKED CC(=O)N(c1ccccc1)c1nc(C=NNc2ccc(F)cc2Br)cs1 812463269 GWAZVKCCUGZGGN-UHFFFAOYSA-N 433.306 5.175 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2(Cc3ccc(F)cc3)CCOCC2)cc1 814305688 MEOFWYBSBBTXOF-RUZDIDTESA-N 428.507 5.459 30 20 IKED CC(=NOCC(=O)c1cc(C)n(Cc2cccs2)c1C)c1ccc(NC(=O)C2CC2)cc1 912950090 YAKXUCVIBDPLMQ-UHFFFAOYSA-N 449.576 5.187 30 20 IKED Cc1c(-c2ccccc2)oc2c(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)cccc2c1=O 914501985 PCYJUIHCEGLZOX-UHFFFAOYSA-N 436.511 5.691 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 915086480 KCQXGKHEOXTIQF-JOCHJYFZSA-N 442.906 5.617 30 20 IKED COc1ccccc1OCc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)o1 915862864 PVJWHOMYDAAJPM-HSZRJFAPSA-N 438.483 5.775 30 20 IKED COC(=O)c1ccc(COc2ccc(/C=C\C(=O)c3cc(F)ccc3F)cc2OC)cc1 916135043 ZPVRGALHNFWPOZ-WZUFQYTHSA-N 438.426 5.235 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc2c(s1)CCCCCC2 916883438 KLHIJJWQUQEMOK-INIZCTEOSA-N 434.533 5.683 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccc(C)cc3)n2)cc1 916914539 MZYKJEYGRWBVRA-QFIPXVFZSA-N 431.561 5.351 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(NC(=O)c3ccco3)cc2C)cc1 916956256 ZBISWNYWFLIEMK-KBXCAEBGSA-N 449.532 5.377 30 20 IKED CCOc1cc2c(cc1/C=C\C(=O)[C@H](C#N)c1nc3ccccc3n1C(F)F)O[C@@H](C)C2 917041650 VYOOCUIEEZGHPI-LXQCCHTASA-N 437.446 5.043 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(Cc2ccc(F)cc2F)C2CC2)c1=S 917476813 BWGTTXKHSOZJSG-UHFFFAOYSA-N 442.535 5.176 30 20 IKED Cc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cc(Cl)ccc2Cl)cc1 917613111 KPJGWQHHESVEOB-UHFFFAOYSA-O 441.363 5.784 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(Cl)nc3ccccc23)cc1 917806169 VAXKPDLIFAPUPY-UHFFFAOYSA-N 427.891 5.786 30 20 IKED Cc1cccc(CN(Cc2ccco2)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 919652873 SNTPDRVUEDAXJD-HHHXNRCGSA-N 435.527 6.478 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 920106182 UCPMYCWALQITHX-OAQYLSRUSA-N 439.446 5.073 30 20 IKED O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(N2CCOC2=O)cc1 920749078 BVKAXEKHOUOGHS-SSZFMOIBSA-N 435.483 5.392 30 20 IKED N#C[C@H](C(=O)CSCc1ccc(Cl)cc1)c1nc(-c2c(F)cccc2F)cs1 920804495 SFLMYBGGWLCAAD-CQSZACIVSA-N 434.920 5.851 30 20 IKED CC1=CC[C@@H](C(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)CC1 1788650673 IQOQPWGTHJMIJD-JKIKYLSZSA-N 448.588 5.368 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc4cc[nH]c4cc3Cl)cc2)CCC1 1789075580 FMFPMNMFJXHAFB-UHFFFAOYSA-N 433.939 5.373 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)Sc4cccs4)cc3)CCC2)C1 1789414120 SMHHXSCTDSTGAQ-MRXNPFEDSA-N 426.607 5.329 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3c(OC)cccc3OC)cc2)CCC1 1790235170 BXKGDQOFCLMJFY-UHFFFAOYSA-N 448.563 5.220 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCCC3(F)F)CCC2)cc1)C(F)(F)F 1791303247 OIQCIHQEHDKJHP-INIZCTEOSA-N 430.417 5.065 30 20 IKED Cc1ccncc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792123441 AKPFZYPBHSDTIM-LJQANCHMSA-N 438.531 5.079 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccccc3NC(C)=O)cc2)CCC1 1792130651 YCKSPJKYDGQVKK-UHFFFAOYSA-N 447.579 5.385 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)s2)[C@@H]1c1cccnc1 1805527632 VXRZEFITDGAOBI-XLIONFOSSA-N 446.016 5.109 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(F)c2)[nH]n1 1814828360 ILEZSTHDKYWHQP-HXUWFJFHSA-N 444.938 5.277 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(C)cc2)[nH]n1 1819309793 HSPGKQPKPRHQCU-JTHBVZDNSA-N 434.584 5.111 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccs2)CC1 1828903640 CIGFURZHJFJCMU-NRFANRHFSA-N 444.717 5.033 30 20 IKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)CC1 1829904112 PPVFEPHJLQLDGG-HXUWFJFHSA-N 435.395 5.030 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)c2cccs2)CC1 1832139602 HJMIQXZZDWVONR-KNQAVFIVSA-N 428.642 5.240 30 20 IKED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1C1CCCC1 8988946 ZPTFSQBSSAWHAU-IVZQSRNASA-N 446.020 5.249 30 20 IKED N#CCc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)cc1 14527754 VELCUPQAWFOTOM-UHFFFAOYSA-N 433.471 5.058 30 20 IKED N#Cc1ccc(-n2c(SCc3coc(-c4ccccc4)n3)nc3ccccc3c2=O)cc1 14703548 NREZEFQMEOGZNV-UHFFFAOYSA-N 436.496 5.205 30 20 IKED COc1ccc(-c2nnc(SCC(=O)c3ccc(C#N)cc3)n2C2CCCCC2)cc1 18277930 BCYWDZRXNQTYRU-UHFFFAOYSA-N 432.549 5.306 30 20 IKED C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)Nc1ccc(C#N)c(Cl)c1 18588898 UWSMKTOWJUZKMI-CYBMUJFWSA-N 440.956 5.678 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1ccoc1C 21140651 WWZZWLWFQJKHQP-CYBMUJFWSA-N 436.459 5.171 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(F)ccc1F)=C(/S)Nc1ccc(C)c(F)c1 22732141 OKWGVWHMDBTACG-UHFFFAOYSA-O 429.487 5.313 30 20 IKED C[C@@H](OC(=O)c1sc2ccccc2c1Cl)C(=O)N(CCC#N)c1ccc(F)cc1 22926444 MCOPIXAAXPYXKV-CYBMUJFWSA-N 430.888 5.186 30 20 IKED Cc1cc(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2ccc(C(C)(C)C)cc2)c(C)[nH]1 23603562 LJUDYAFPLFBKOT-UHFFFAOYSA-O 448.656 6.391 30 20 IKED CC(=O)c1ccc(OCCCC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 31776983 NKUJIMZLGWYDCL-UHFFFAOYSA-N 428.488 5.138 30 20 IKED C=CCN(C(=O)Cc1ccc(OC(F)F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 60951500 WEVWCDADMYLWJO-UHFFFAOYSA-N 445.447 5.081 30 20 IKED CCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 302988785 JASHXMJPGAKLJM-UHFFFAOYSA-N 430.382 5.400 30 20 IKED COc1ccc([C@@H](NCc2cccc(F)c2C#N)c2ccccc2)cc1Br 427420028 IMKKTZGJIFHIDG-QFIPXVFZSA-N 425.301 5.348 30 20 IKED Cc1nc(C(C)C)oc1CN[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 428353686 WDLFZUDGRZHDCZ-AWEZNQCLSA-N 448.329 6.537 30 20 IKED COc1ccc(-c2csc(CNC(=O)c3cnn(CCC#N)c3-c3ccccc3)c2)cc1 428623774 SRTYRTAPVBSCHC-UHFFFAOYSA-N 442.544 5.131 30 20 IKED CN(C)[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CC1 429753392 BSFOFPCHKBUCOL-LJQANCHMSA-N 446.473 5.317 30 20 IKED N#CCSc1cccc(C(=O)N(Cc2ccccn2)c2ccc(Br)cc2)c1 429847227 GHTOEITXYBKPLQ-UHFFFAOYSA-N 438.350 5.307 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 429963105 AFXVDDWGMIQTFF-AWEZNQCLSA-N 449.498 5.355 30 20 IKED CCn1ncc2c(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)cc(-c3ccccc3)nc21 430620983 IUZCLXUHSZLQIE-KRWDZBQOSA-N 429.549 5.362 30 20 IKED O=C(NCC[C@H](c1ccccc1)C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 432486802 YNLPQUHJHYRFMX-GFCCVEGCSA-N 436.318 5.249 30 20 IKED N#Cc1cc(NCc2nnc3n2CCCCC3)ccc1Oc1ccc(C(F)(F)F)cc1 432695344 PMDKWYBCJWJPPT-UHFFFAOYSA-N 427.430 5.299 30 20 IKED CN(C)C(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c(Cl)c1 435057477 BYNTZVLEGGHLNU-UHFFFAOYSA-N 434.883 5.350 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)c2)cc1 436337054 OIMPHOVCHFZAPB-UHFFFAOYSA-N 449.441 5.737 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 436360654 GCDNPNJZJKEUTA-NHCUHLMSSA-N 434.927 5.011 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)cc1F 437489373 HAQUDONVGQYBPR-NRFANRHFSA-N 432.451 5.300 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 437828102 IOFXUCMBLYEIPZ-DNQXCXABSA-N 430.552 5.053 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 437982172 YIDXGUGDHNBXRE-WXTAPIANSA-N 443.522 6.200 30 20 IKED N#Cc1cccnc1OC1CCC(NC(=O)c2c(F)cccc2Sc2ccccc2)CC1 438592990 ATQCZPDRDONXME-UHFFFAOYSA-N 447.535 5.364 30 20 IKED CCSCc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c1 441167151 JTAWKRMTYSVAJW-UHFFFAOYSA-N 431.517 5.181 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](CC(F)(F)F)c2ccccc2C)cc1 445235711 FPQFWGFHJXVQJF-NRFANRHFSA-N 445.485 5.624 30 20 IKED Cc1ccc([C@@H]2NC(=O)N(c3ccc(OCc4cccc(C#N)c4)c(Cl)c3)C2=O)cc1C 445948849 ICGIGEQBSLCXGJ-QHCPKHFHSA-N 445.906 5.205 30 20 IKED C=CCC[C@@H](NC(=O)N[C@H](c1cnn(C)c1)C(F)(F)F)c1ccc(C(F)(F)F)cc1 446461453 ASXWQLURPYWIFI-HZPDHXFCSA-N 434.384 5.049 30 20 IKED C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCc2[nH]c3ccccc3c2C1 460377995 VOTZRSMVYPNTST-UHFFFAOYSA-N 445.592 5.199 30 20 IKED N#C[C@H](C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1)c1cc(C(F)(F)F)ccn1 464429819 PYDZZDRVDYHVNX-KRWDZBQOSA-N 425.341 5.538 30 20 IKED C=CCn1c(SCC(=O)N2C[C@@H](C)C[C@@H]2CC)nnc1-c1ccc(Cl)cc1Cl 465295791 NUTRHSSHUQVJGZ-ZFWWWQNUSA-N 439.412 5.177 30 20 IKED CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 467401734 DKJKWXIQQCAIGQ-INIZCTEOSA-N 433.462 5.405 30 20 IKED CCN(C(=O)c1ccc2c(c1)nc(C)n2Cc1ccsc1)[C@H](C)c1ccc(C#N)cc1 472444305 ADARTJDBTIMGEQ-QGZVFWFLSA-N 428.561 5.550 30 20 IKED CN(Cc1nc(C(F)(F)F)cs1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 472745915 FTSLJVWWDYIOHH-UHFFFAOYSA-N 432.427 5.490 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1cccc(Br)c1C 478684881 CTHHUXREZKYEHS-UHFFFAOYSA-N 436.309 5.306 30 20 IKED Cc1ccc([C@@H]2COCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)o1 480278458 NKOUAUFPABLVBW-FQEVSTJZSA-N 437.883 5.511 30 20 IKED Cc1ccc(-n2ncc(C(=O)[C@@H](C#N)c3nccc4ccccc34)c2C2CC2)cc1Cl 483235283 SOEDQBZIJYQMTE-FQEVSTJZSA-N 426.907 5.750 30 20 IKED COc1cccc(CO[C@H](C)C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1 483375585 MPOBBRJRGJGEAM-LJQANCHMSA-N 432.495 5.153 30 20 IKED N#CCCN(C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)C12CC3CC(CC(C3)C1)C2 486591982 UBFMRZDHFSTFFB-UHFFFAOYSA-N 427.548 5.008 30 20 IKED COCCOc1c(Cl)cccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 502336414 ZHKDZXDEKKXPLR-UHFFFAOYSA-N 436.895 5.068 30 20 IKED O=C(Nc1cccc(C(F)F)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 505998838 YSCKHJRFTBUWMT-UHFFFAOYSA-N 449.301 6.100 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@H](C#N)C2CCCCC2)c(OC)c1 506529762 CLTIKKLYKOZTCC-XMMPIXPASA-N 445.563 5.373 30 20 IKED Cc1sc(CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)nc1-c1ccc(Cl)cc1 506759018 OKVCCJVOHXGEGI-UHFFFAOYSA-N 427.932 5.377 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@](C)(c2ccc(F)cc2)C1 508811429 HJRGXXWACKXXGZ-FXSPECFOSA-N 432.543 5.016 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC[C@H]2C(=O)Nc3ccccc32)cc1Cl 510022559 FAOIWXFFJVLSCC-RTWAWAEBSA-N 444.922 5.243 30 20 IKED CCc1ccc(CN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C2CC2)cc1 510246490 SDHHRDJUFVTIFY-UHFFFAOYSA-N 449.605 5.461 30 20 IKED N#C[C@@H](C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1nc2ccccc2s1 513656098 XTUGXTTXKGRKDP-IBGZPJMESA-N 440.553 5.726 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)COc3c(Cl)cccc3Cl)c2)c1 515675126 XPQFGGACCAEKPA-UHFFFAOYSA-N 440.286 5.135 30 20 IKED CCC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1 515916757 GNJSEGJQTHGOTQ-QFIPXVFZSA-N 447.922 5.600 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccccc1C(F)(F)F 517461108 PEIWEJQGGNPHPC-UHFFFAOYSA-N 432.389 5.911 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2ccco2)C2CCCC2)cc1 517598150 NGTUIBJEFLNRAO-UHFFFAOYSA-N 429.520 5.901 30 20 IKED CC(=O)N[C@@H](CC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N)c1cccs1 517808121 FOTQQRXPPMKAMM-FQEVSTJZSA-N 437.952 5.074 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3sc4c(c3C#N)CCCCCC4)cc2)nc1 518374641 QDQWCDZOCBYENQ-UHFFFAOYSA-N 428.517 5.590 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1 519516646 WVOSARBHXQECLJ-AWEZNQCLSA-N 444.528 6.663 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccnc(Oc2ccccc2)c1 520835670 RYMJTGJZPKCZND-UHFFFAOYSA-N 443.450 6.151 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1OC(F)F 520855498 PSMKBOFMOWYWJJ-CQSZACIVSA-N 435.496 5.212 30 20 IKED CN(C(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c1)c1ccccc1 521235731 YJTXGDKQGNFLDG-UHFFFAOYSA-N 443.572 5.808 30 20 IKED C[C@@H](NC(=O)NCCCCSc1ccccc1Br)c1ccc(C#N)cc1 522910010 WVOAPWYAWZCLNU-OAHLLOKOSA-N 432.387 5.253 30 20 IKED CC(=O)CSCC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccc(C)o1)CC2(C)C 530664971 UONDHJPJIBRKHA-SOFGYWHQSA-N 440.590 5.560 30 20 IKED CC[C@@H]1c2ccsc2CCN1CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 532922897 BDWTYAXJHKFJKN-OAQYLSRUSA-N 436.581 5.017 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)o2)cc1 536335626 OKAZAGUVVXKXBU-UHFFFAOYSA-N 436.449 5.157 30 20 IKED C[C@@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)c1cccc(C(=O)c2ccccc2)c1 536552318 YAPVHQPYAIWPHJ-ZHRRBRCNSA-N 447.332 5.165 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](Cc1ccccc1)c1ccccc1F 537157928 DTMDFGCNJDVMJN-DVECYGJZSA-N 447.579 5.732 30 20 IKED CC[C@@H](C)Oc1cc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccn1 537514611 WHTJRZJOOSGMPC-LJQANCHMSA-N 444.535 5.226 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2coc(-c3ccccc3Cl)n2)cc1 538446928 PJJDJMCQBKGHRI-UHFFFAOYSA-N 443.890 5.892 30 20 IKED Cc1nc([C@@H](NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2F)no1 539514904 HEPWTHADPIUQRU-INIZCTEOSA-N 433.327 5.434 30 20 IKED CC(C)Cn1ncc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C(F)F 542029798 BTUVFXWCFYCIQD-INIZCTEOSA-N 437.494 5.898 30 20 IKED N#Cc1ccc(C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1Cl 548611643 MFSOLJQRYBJDGC-UHFFFAOYSA-N 426.907 5.053 30 20 IKED N#C[C@H](NC(=O)Cc1cscc1Br)c1ccc(OCc2ccccc2)cc1 550592532 AZTDEPVBHXZYDX-FQEVSTJZSA-N 441.350 5.013 30 20 IKED Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(c2c(C#N)cnc3c(F)ccc(Cl)c23)C1 553346221 ZNRHGOFDBDXGNL-LLVKDONJSA-N 437.828 5.035 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)cc2)ccn1 558507717 PCSZSXDCEIYUPU-OAQYLSRUSA-N 441.516 5.724 30 20 IKED COc1ccc(CN(C(=O)Nc2cc(C#N)ccc2OC(F)F)[C@@H](C)C2CC2)c(OC)c1 558745716 GKZVUYVYZAALTR-AWEZNQCLSA-N 445.466 5.009 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)cc1 559254554 OGNHPKFZLNHQOB-UHFFFAOYSA-N 446.413 5.377 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 562141666 CTQPVGWGBDFYRZ-UHFFFAOYSA-N 448.036 5.281 30 20 IKED COc1ccc(CN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@H](C)C2CC2)cc1 569413538 KNQUDGGKTRACBO-GOSISDBHSA-N 442.519 5.587 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCC(=O)c3ccc(Cl)cc3)cc2F)c1 590480632 ZHQOQRNAEBOKDC-UHFFFAOYSA-N 436.870 5.531 30 20 IKED O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 591032584 CVICTXJEDTXFFB-IJEWVQPXSA-N 426.376 5.439 30 20 IKED CN(Cc1ccccc1Br)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 603650113 OEPQTNNGOAAJDW-UHFFFAOYSA-N 441.354 5.032 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)o1 603945427 XJUCIJHZKHHWCW-UHFFFAOYSA-N 434.455 5.526 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2csc(-c3ncccn3)n2)cc1Cl 603962232 NMQIVRCXIMWLIJ-QGZVFWFLSA-N 431.908 5.161 30 20 IKED C[C@@H](Nc1cccc(OCCCC#N)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 604044331 IWFVHEXOTOJWQR-CYBMUJFWSA-N 425.838 5.480 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)s1 604457007 KLTCORACQZGZEA-UHFFFAOYSA-N 431.542 6.025 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)Nc2cccc(C#Cc3cccs3)c2)cc1)C1CC1 605908304 UWXBPUIEBMNKFD-UHFFFAOYSA-N 429.545 5.303 30 20 IKED C[C@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)NC(=O)C1CCCCC1 608937552 DPYSUCJCCXBDBS-VGSWGCGISA-N 437.971 5.409 30 20 IKED Cc1cc(Br)ccc1N(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 609058631 ILFXZGBASICQRO-UHFFFAOYSA-N 425.282 5.078 30 20 IKED C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccc(OCc2cccnc2)cc1 609082907 DCCBGLUDSCMDKO-OAHLLOKOSA-N 438.434 5.016 30 20 IKED COc1ccc(OC(F)F)c(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1 609297976 YDAZWWHVVFDSEN-UHFFFAOYSA-N 428.366 5.352 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)NCc1ccccc1Sc1ccccc1 609404516 CTIYLNHSSHEGPW-UHFFFAOYSA-N 447.585 5.098 30 20 IKED N#CCCN(C(=O)CSc1nnc(-c2ccc(Cl)s2)o1)c1cccc(Cl)c1 610167511 FMEYORSSHLGPBB-UHFFFAOYSA-N 439.349 5.144 30 20 IKED Cc1ccc(C(=O)Nc2sccc2C#N)cc1OCc1csc(Br)c1 610220571 MDAMREIIOWLWPF-UHFFFAOYSA-N 433.352 5.584 30 20 IKED N#Cc1cccc(-c2cnc(CNC(=O)CSc3cccc4cccc(Cl)c34)[nH]2)c1 610890622 URNUCZGDDGEUBQ-UHFFFAOYSA-N 432.936 5.163 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3CCc4c(Cl)cccc43)s2)cc1 611411818 SDSMALFLBQMKMO-MRXNPFEDSA-N 426.954 5.024 30 20 IKED C[C@@]1(C#N)CCCN(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)C1 612358639 PSQUCCIYOLICCC-CTNGQTDRSA-N 430.321 5.013 30 20 IKED C[C@@H](NC(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1)c1cccc(C#N)c1 612469215 PLTQERRGDVVSJS-SJKOYZFVSA-N 440.263 5.375 30 20 IKED O=C([C@@H]1CCCCC1(F)F)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517869 QEEQTLNVPNKPAE-GJZGRUSLSA-N 445.350 5.450 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2ccccc2F)n1)c1nc2cc(C(F)(F)F)ccc2s1 642282192 SXFWCTULAVWVCU-LBPRGKRZSA-N 430.386 5.130 30 20 IKED O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 684801105 ZSYDPAFQNLLEBM-BBGACYKPSA-N 432.767 5.107 30 20 IKED COc1ccc(C(=O)/C=C/c2c(C)nn(-c3cccc(Cl)c3)c2Cl)cc1NC(C)=O 726428259 ITJQPWMGALPKFE-CMDGGOBGSA-N 444.318 5.351 30 20 IKED CC(C)(C)OC(=O)N1CCc2cc(NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)ccc21 727595674 WYAZSNBBMYFQDF-UHFFFAOYSA-N 432.524 5.052 30 20 IKED CC(C)(C)OC(=O)NCc1cccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1 728084461 FALOJWDJDJDGBO-UHFFFAOYSA-N 447.491 5.007 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728299998 WWFPZHQEWFVBQP-LJQANCHMSA-N 445.538 6.147 30 20 IKED COc1cccc([C@@H](C#N)NC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)c1OC 729432974 KMKUZCOBCFATQP-OAHLLOKOSA-N 448.331 5.129 30 20 IKED N#C[C@@H](C(=O)NCc1ccccc1)C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 729888578 IUARSRUGQCFUPH-GFCCVEGCSA-N 437.735 5.500 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2ccccc2c(Cl)n1 731069406 NHXAXDKJDNXWIN-CQSZACIVSA-N 439.924 5.078 30 20 IKED Cc1c(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)sc2cccc(F)c12 731070234 OLAPQFIFLPSXTG-CYBMUJFWSA-N 442.537 5.539 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2ccccc2)C(=O)N[C@H]1c1csc(C2CC2)n1 731421955 VYBGFJGXTGTFGK-QFIPXVFZSA-N 447.535 5.426 30 20 IKED O=S(=O)(c1ccccc1N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(F)F 731966440 HYQHFNFCXPLASG-MYJAWHEDSA-N 425.341 5.004 30 20 IKED CCOc1ccc([C@@H](NC(=O)NCc2cccc(O[C@H](C#N)CC)c2)c2ccccc2)cc1 733807441 UVZRFMPFIILNNE-OZXSUGGESA-N 443.547 5.355 30 20 IKED CN(C(=O)Cc1ccc(OCC#N)cc1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 734116856 QXZBKRMRGVAUST-UHFFFAOYSA-N 441.409 5.001 30 20 IKED O=S(=O)(O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1csc(-c2ccccc2)n1 734153647 MGVRTSVWLBSSGP-OAHLLOKOSA-N 447.887 5.342 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@H](c3ccccc3)C3CCOCC3)cc2)cc1 734352124 OFJDAYLXVRWXNP-AREMUKBSSA-N 426.516 5.443 30 20 IKED COc1cc(COC(=O)Cc2c[nH]c3ccc(F)cc23)ccc1OCc1cccc(C#N)c1 735145635 WRZSJEVNKDEBKL-UHFFFAOYSA-N 444.462 5.052 30 20 IKED Cc1ccc(F)c(NC(=S)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)c1 735981514 IFUZIEQGWUEPFP-UHFFFAOYSA-N 426.357 5.903 30 20 IKED Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739750224 QQRVRPRCYZRARE-UHFFFAOYSA-N 426.545 5.078 30 20 IKED N#Cc1ccc(-c2cccc(CN[C@H](C(=O)NCc3ccccc3)c3ccccc3)c2)s1 739996206 BGNKWENTUUJSLO-SANMLTNESA-N 437.568 5.434 30 20 IKED COc1ccc(SCCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC 741110876 AZBXNXPNURHBMH-SFHVURJKSA-N 438.574 5.494 30 20 IKED CC(=O)C1=C(c2ccc(C)cc2)N(c2ccc(C)c(F)c2)C(=O)N[C@H]1c1ccc(C#N)o1 743741481 IVHXOLDCBOLOEI-QHCPKHFHSA-N 429.451 5.178 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)NCCSc1ccccc1 745723999 IXRBNEHWDAECIZ-UHFFFAOYSA-N 435.593 5.679 30 20 IKED N#C[C@H](NC(=O)c1csc(-c2ccc(O)cc2)n1)c1ccc(OCc2ccccc2)cc1 746207876 WWADMJSBPGMYGE-QFIPXVFZSA-N 441.512 5.089 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1ccc(C)c(N2CCOC2=O)c1 746720319 GUGRYGYQJOSVDV-UHFFFAOYSA-N 442.475 5.568 30 20 IKED Cc1cc(C#N)ccc1C(=O)OCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 748420681 UILICLYBLYIVKV-UHFFFAOYSA-N 432.090 5.276 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 748995751 UZVQXGWYEMOHPQ-UHFFFAOYSA-N 448.548 5.439 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3C[C@H](O)c3cccs3)cc2)cc1 751001277 VNTNRRWLTBOGQJ-KNQAVFIVSA-N 433.533 5.532 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2ccccc2COCc2ccccc2)cc1C#N 752191890 LPVKAPRXAQVUAY-UHFFFAOYSA-N 444.491 5.487 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C=C(\C)c1ccccc1OC(F)F 753394800 MTDZSCVEVNLKNV-LLLGYDHXSA-N 426.463 5.164 30 20 IKED O=C1COc2ccc(C(=O)/C=C/c3nc(-c4cc(Cl)ccc4Cl)cs3)cc2N1 753897454 UVRRDKISXAKJJT-GQCTYLIASA-N 431.300 5.344 30 20 IKED Cc1c(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cnc(Cl)c1Br 760056299 ONUAYOLNQXGXNT-ZBFHGGJFSA-N 433.737 5.110 30 20 IKED CSc1nc(C(C)(C)C)nc(C)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 760366251 WFJANEQTLJIBTI-HXUWFJFHSA-N 430.577 5.712 30 20 IKED COc1ccc2c(c1)C(=O)/C(=C/c1csc(N(C(C)=O)c3ccc(F)cc3)n1)CCO2 763106628 WFKRYWUZVADONE-RVDMUPIBSA-N 438.480 5.024 30 20 IKED CCCN(C(=O)c1ccccc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)C(C)C 771529433 ZDYMAZFZSRYLNY-VWNXMTODSA-N 432.568 5.251 30 20 IKED N#C[C@@H](COC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)Cc1cccs1 772741440 BBUVPMWPEPSQLU-LBPRGKRZSA-N 434.304 5.176 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCCc3c(Cl)sc(Cl)c32)ccc1OC 772978128 DZDHOMMGPFQSLC-DZGCQCFKSA-N 425.381 5.912 30 20 IKED Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 774297923 NCPMBNVIGTVMFG-MHZLTWQESA-N 449.510 5.175 30 20 IKED C=C(C)[C@@H](N[C@@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C)c1ccc(F)c(F)c1 775559177 WLQAHVFNQHRIEX-KSFYIVLOSA-N 431.527 5.661 30 20 IKED CC(C)(C)OC(=O)N1CCc2cc(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)ccc21 776881031 FJPRRQZPTPKVTM-QGZVFWFLSA-N 446.334 5.286 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 780672290 ATDQHPCLJVYXQR-BLVKFPJESA-N 438.286 5.029 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)Nc3ccccc3O[C@H](C)C#N)s2)cc1 780679311 ASWRYVHFIISGHE-AEFFLSMTSA-N 434.565 5.943 30 20 IKED N#Cc1ccccc1N1CCC(NC(=O)c2cccc(F)c2Sc2ccccc2)CC1 781339249 JAXKOYPUVOXSKF-UHFFFAOYSA-N 431.536 5.247 30 20 IKED COc1ccc(C[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1OC 781452793 MKPJDGWRZCNMNZ-UKRRQHHQSA-N 442.487 5.161 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC23CCC(C(F)(F)F)(CC2)CC3)cc1 785679639 WWCZMJCIOKOBGO-RBKXMNCYSA-N 427.470 6.119 30 20 IKED CCc1c(NC(=O)NCc2cccc(O[C@@H](C#N)CC)c2)cnn1-c1ccccc1Cl 792485350 XPEFLHILSJCRMT-QGZVFWFLSA-N 437.931 5.091 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2sc(SC(F)F)nc2C)cc1 796632951 YMSIIBLUBXRNCE-XHDPSFHLSA-N 437.537 5.170 30 20 IKED CC(C)C(=O)c1ccc([C@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 802040460 GDCVUALLKPIUMT-GUYCJALGSA-N 431.319 5.283 30 20 IKED Fc1ccc(NN=Cc2cn(-c3ccccc3)nc2-c2ccncc2)c(Br)c1 812465955 WAMQJFOBUYIZTC-UHFFFAOYSA-N 436.288 5.282 30 20 IKED N#C[C@@H](C(=O)C1(c2cccc(Br)c2)CCCC1)c1cc(C(F)(F)F)ccn1 813211012 ZGGTZQAOPFBEBW-MRXNPFEDSA-N 437.259 5.551 30 20 IKED N#CC1(CCCSC2=NC(=O)/C(=C/c3csc4ccccc34)S2)CCOCC1 814772290 SHSPQNKNHRNPPK-PDGQHHTCSA-N 428.604 5.705 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CC3(CCC3)[C@H]2c2ccccc2)cc1 815799014 BCALWPUCSUYYMX-LOSJGSFVSA-N 435.527 5.034 30 20 IKED C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc(Br)c([C@@H](C)OCOC)cc1F 877843215 JQDQZSYSBAFQJJ-XCLFUZPHSA-N 449.320 5.022 30 20 IKED Cc1noc2nc(C3CC3)cc(C(=O)OCCC(C#N)(c3ccccc3)c3ccccc3)c12 914896052 RURUXTZHFRPLIM-UHFFFAOYSA-N 437.499 5.465 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(CSc3nc[nH]n3)cc2)cc1 915085884 CLMNJRPASNVZDZ-JOCHJYFZSA-N 425.517 5.005 30 20 IKED CSc1cccc(N2C[C@H](C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2=O)c1 915086164 HWSIFLXMUNGWDE-YKSBVNFPSA-N 441.556 5.056 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@H](C#N)c2nc3ccccc3o2)cc1 915104499 CTRPYWCQIPSFDK-NRFANRHFSA-N 435.483 5.794 30 20 IKED O=C1c2cccc3cccc(c23)C(=O)N1N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 916306074 KKMWNWNQSOZRCK-UHFFFAOYSA-N 445.818 5.292 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 916897552 OFQRUHWCJKQGIH-KEGWNNHHSA-N 440.343 5.393 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1 916900099 MMZXYAUIJKXCOF-CRAIPNDOSA-N 442.943 5.069 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2ccccc2C(F)(F)F)cs1 917532052 FKTULRMIBVWJTB-UHFFFAOYSA-N 438.862 5.946 30 20 IKED O=C(CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)Nc1ccccc1SC(F)F 918739655 ATQSPBKRJYEYKX-UWVGGRQHSA-N 436.368 5.003 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccccc3-c3ccccc3)n2)cc1 920138817 KJNCZKXODYMMJK-JOCHJYFZSA-N 440.524 5.741 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C4SCCS4)cc3)n2)cc1 920141525 JEIXDTWUKGIHDX-SFHVURJKSA-N 433.583 5.650 30 20 IKED COc1cccc(/C=C\c2cc(C(=O)O[C@@H](C)C#N)c3cc(Br)ccc3n2)c1 920703809 SLVNJCLIJFJHMG-QPBFKRLHSA-N 437.293 5.245 30 20 IKED N#C[C@H](C(=O)[C@@H](Oc1ccccc1)c1ccccc1)c1nc(-c2c(F)cccc2F)cs1 920807040 WKBUXLSCWWVGNB-KOSHJBKYSA-N 446.478 6.085 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cnc(Cl)s3)CCC2)cc1 1786102982 JKIJYZAVZLJQCP-UHFFFAOYSA-N 429.973 5.313 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc3cccc(Cl)c3c1)C2 1792572545 AEKHGVWXPWXHMO-REPLKXPHSA-N 439.987 5.132 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)nc3ccccc13)C2 1798592959 XRKRHVWCGYWTGB-BCDXTJNWSA-N 439.987 5.132 30 20 IKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)[C@H](C)Sc3ccccc3)C2)CC1 1805849536 YPBHDBXNRVULTA-NRFANRHFSA-N 440.653 5.167 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C)c(C)c2)[C@H]1c1cccnc1 1811873069 XILRSXHFRQHAMT-BJKOFHAPSA-N 433.596 5.010 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3cc(C)[nH]c23)n[nH]1 1818651423 DIWJRZDNPFOKPP-NRFANRHFSA-N 447.583 5.498 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)C1 1823702549 QSMGPSAKBZFTMW-KRWDZBQOSA-N 441.424 5.254 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 1828461317 YOEXUCIWIHETRU-JVGBJIEFSA-N 428.661 5.425 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)ccc2C)CC1 1830619895 FFGBQIHGGLXJGW-RUZDIDTESA-N 438.612 5.005 30 20 IKED Cc1ccccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832633735 NAFMIWLGDKKPIW-RLWLMLJZSA-N 443.591 5.169 30 20 IKED C=CCn1c(SCc2cccc(Br)c2)nnc1[C@@H]1COc2ccccc2O1 21244308 QYINHJAQNKTILU-SFHVURJKSA-N 444.354 5.031 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 32056920 MTKAYTKODJIJGF-UHFFFAOYSA-N 433.511 5.548 30 20 IKED C=CCN(CC=C)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C(C)C 58025789 VTHLTLHOXYPNBQ-UHFFFAOYSA-N 425.385 5.126 30 20 IKED N#C[C@H](C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc(-c2c(F)cccc2F)cs1 64714417 MBHQFTPTGVCNSL-GFCCVEGCSA-N 441.440 5.701 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)c1ccc(OC(F)F)cc1 72031381 IHHCYSSJIKGVSB-AWEZNQCLSA-N 435.471 5.637 30 20 IKED N#Cc1c(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)sc2c1CCCC2 247711456 JZLNVYYBPSAYAD-UHFFFAOYSA-N 447.507 5.822 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1 303510139 BELIHHKYUUCXPF-QFIPXVFZSA-N 439.540 5.724 30 20 IKED CC(C)n1c([C@@H]2CCCN([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)nc2ccccc21 303590774 RXIQATNBTZTJJF-FCHUYYIVSA-N 443.595 5.132 30 20 IKED Cc1csc(-c2cccc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)c2)n1 303800652 LOTPBQARJVVHSY-UHFFFAOYSA-N 438.512 5.495 30 20 IKED N#CCSc1cccc(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)c1 429961233 KJASOAKJVLXDAZ-UHFFFAOYSA-N 426.375 6.046 30 20 IKED COc1ccc([C@H](C)NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1Br 431774648 FRPGBTANPSKOGW-HNAYVOBHSA-N 430.346 5.253 30 20 IKED CCOc1ccc2c(c1)CCN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3OC)cc1)C2 434208443 JKEGXZKMWROHPC-UHFFFAOYSA-N 443.503 5.348 30 20 IKED CCOc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(C)c1 437245781 KTVRXDDFOIKPQB-UHFFFAOYSA-N 449.894 5.288 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H]2CCN(c3ccccc3)C2)cc1F 438654998 KHHKWVWIGQVICX-GOSISDBHSA-N 430.483 5.138 30 20 IKED C[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 439556402 FHSWATIKWBCUCR-IBGZPJMESA-N 442.494 5.024 30 20 IKED N#Cc1cnc(C(=O)Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)c(Cl)c1 444495672 XUPCNMPBAIJGAJ-UHFFFAOYSA-N 441.299 5.914 30 20 IKED C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2cc(Cl)c(Cl)cc2[C@@H]1C 460950170 PBBRUIFXVWSZNW-LSDHHAIUSA-N 439.387 5.009 30 20 IKED N#C[C@H](C(=O)c1ccc(Br)cc1C(F)(F)F)c1cc(C(F)(F)F)ccn1 464472523 PAMQLSQCMFDEGC-NSHDSACASA-N 437.137 5.372 30 20 IKED C=CCn1c(SCC(=O)N[C@H]2CCCc3sccc32)nnc1-c1ccc(Cl)cc1 466272736 MXXAXEHRDJCDSU-KRWDZBQOSA-N 445.013 5.132 30 20 IKED Cc1ccc(C)c(-n2cnc3cc(C(=O)[C@@H](C#N)c4nc(-c5ccncc5)cs4)ccc32)c1 472537872 YGYUWYQINJRZAJ-HXUWFJFHSA-N 449.539 5.651 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4n[nH]c(C5CC5)n4)cc3)n2)cc1 473489017 OYRMFXDARCMIDJ-LJQANCHMSA-N 425.517 5.271 30 20 IKED C[C@H](CC(=O)c1ccccc1F)C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 474275878 PKBKRZVEEPPPEU-SJKOYZFVSA-N 449.366 5.863 30 20 IKED C[C@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 475027034 FGLAOUDHQUSMSC-AVRDEDQJSA-N 429.495 5.343 30 20 IKED COc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(OC(F)F)c1 475491380 IPWOPXMVERSIQK-UHFFFAOYSA-N 438.430 5.308 30 20 IKED C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 480383534 BUQBPTDDLOTDAT-FZMZJTMJSA-N 430.364 5.298 30 20 IKED N#CCC[C@@H](NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccccc1 482320151 SAZSYULXYAWAPT-SJORKVTESA-N 429.364 5.653 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 482901541 SPIBQXGUZMCUSB-HUUCEWRRSA-N 432.952 5.131 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N(C)[C@@H](C)c1ccncc1 483216547 WULCPEIHVZEOBH-KRWDZBQOSA-N 434.565 5.253 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)c1cc([N+](=O)[O-])ccc1C 484592232 QEWCHDXPHKAIMJ-HNNXBMFYSA-N 428.489 5.252 30 20 IKED O=C(CCOCC(F)(F)C(F)(F)F)Nc1ccc(Br)cc1C(F)(F)F 485583364 MLFDDOVKTOHRQY-UHFFFAOYSA-N 444.116 5.011 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)C3(c4cccc(Br)c4)CC3)s2)cc1 486668721 BKYMODYOFBLAJD-UHFFFAOYSA-N 438.350 5.038 30 20 IKED Cc1sc2ncnc(N3CCC(C(=O)N[C@H](CCCC#N)c4ccccc4)CC3)c2c1C 487396020 ZZGSDZZVXLKHOX-OAQYLSRUSA-N 447.608 5.076 30 20 IKED C=C(C)Cn1c(S[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)nnc1-c1ccncc1 489383829 AADFLUQCTWTOGX-HNNXBMFYSA-N 436.516 5.267 30 20 IKED C=C(C)Cn1c(SCc2csc(COc3ccc(C)cc3)n2)nnc1-c1ccncc1 489386323 JYIQNMMGDZKSBL-UHFFFAOYSA-N 449.605 5.552 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2)c2ccccc2)nnc1-c1cccs1 489424266 IHWOMVINSIFCKH-HXUWFJFHSA-N 432.574 5.665 30 20 IKED C=CCc1cc([N+](=O)[O-])ccc1OCc1csc(N(C(C)=O)c2ccccc2F)n1 498093763 GBLDVZDWMGLNBP-UHFFFAOYSA-N 427.457 5.183 30 20 IKED C/C=C\c1ccc(NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 500022463 NAUPNMRZGOKVSB-HYXAFXHYSA-N 425.488 5.056 30 20 IKED C=CCc1cc(CNCc2cn(-c3ccccc3)nc2-c2ccccc2)cc(OC)c1O 500284277 YNEVAEOBVCCJDA-UHFFFAOYSA-N 425.532 5.272 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(COc3ccccc3)CC2)cc1C 501614821 JLDSWDIQSLWPTO-UHFFFAOYSA-N 442.563 5.012 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1)c1ccccn1 502708891 ZLSCIOUEHFRSJH-QFIPXVFZSA-N 429.483 5.032 30 20 IKED N#C[C@H](NC(=O)c1ccc([C@@H]2CCCOC2)cc1)c1ccc(OCc2ccccc2)cc1 504539262 PWELQWQTQVVISL-RSXGOPAZSA-N 426.516 5.154 30 20 IKED COc1ccccc1SC[C@@H](C)CNC(=O)c1ccccc1Sc1ccccc1C#N 505060915 GLZRCOCKMWWVDR-SFHVURJKSA-N 448.613 5.876 30 20 IKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)C(C)(C)c3cc(F)cc(C#N)c3)c2)c1 507174480 RGCHSQPHMZAFFN-UHFFFAOYSA-N 444.510 5.244 30 20 IKED C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(c2c[nH]c3ccccc23)CC1 509010044 GWIVKEAGNTZNDN-XMMPIXPASA-N 425.536 5.006 30 20 IKED Cn1c([C@H](C#N)C(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)nc2ccccc21 513682423 VFYWOJZHAVGWEW-LJQANCHMSA-N 443.938 5.171 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)NCc2ccc(OCc3ccccn3)cc2)cc1 515438828 VDDQCOLTEINNGY-UHFFFAOYSA-N 449.510 5.041 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CNc1ccc(Oc2ncc(Cl)cc2Cl)cc1 515444962 BTNALBCMYHSTET-UHFFFAOYSA-N 447.709 5.756 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 517792657 YLGSLZHBLIAVPG-UHFFFAOYSA-N 428.989 5.207 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 518130266 MXUMQJIHGNIAPE-ZDUSSCGKSA-N 443.985 5.250 30 20 IKED Cc1c(NC(=O)CCCCOc2cccc(C#N)c2)cccc1-c1nnc2n1CCCCC2 518373297 RNKPEGKRHLWHJQ-UHFFFAOYSA-N 443.551 5.039 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(-c2cccs2)on1 520827480 GKIBXSXKBMXCQD-AWEZNQCLSA-N 429.592 5.527 30 20 IKED CC(C)C(=O)Nc1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 522572093 JJVLFSAYUKKHHG-UHFFFAOYSA-N 433.895 5.851 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c1 522584729 ZEMXIMPUAXRIBE-UHFFFAOYSA-N 441.462 5.280 30 20 IKED C=C(C)[C@@H](CC(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)OCC 533715494 UFWFTRIVEBAANN-JOCHJYFZSA-N 426.944 5.129 30 20 IKED CN(C(=O)c1ccc(CC#N)cc1)c1ccc(NC(=O)c2ccc(CC#N)cc2)cc1Cl 533999440 DLGNFVSRRPMANT-UHFFFAOYSA-N 442.906 5.001 30 20 IKED N#CCCn1cc(CN2CCC[C@@H](c3nc4ccccc4s3)C2)c(-c2ccccc2)n1 535781654 PYWKUFPMHPIUIS-HXUWFJFHSA-N 427.577 5.453 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(-c2ccc(Cl)cc2)s1 536629939 ASPDDJUCWDTOSX-GFCCVEGCSA-N 444.343 5.409 30 20 IKED CC(C)(C)[C@@H]1CCc2sc(-c3nnc(SCCCC4(C#N)CCOCC4)o3)cc2C1 537308972 ZIUSILXXSJJPCS-QGZVFWFLSA-N 445.654 6.142 30 20 IKED Cc1ccc(C(=O)Nc2cc(C#N)ccc2NC2CC2)cc1NC(=O)c1ccccc1F 538825254 AKGZHOTYJGPMLK-UHFFFAOYSA-N 428.467 5.085 30 20 IKED N#CCCn1cc(CNc2ccc(NC(=O)N3CCCCCC3)cc2)c(-c2ccccc2)n1 538834675 LTGFOFNTUUZVBE-UHFFFAOYSA-N 442.567 5.484 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CN[C@H](Cc2ccc(Cl)cc2)c2ccccn2)c1C 542122690 HXUORWMCJHWZGO-XMMPIXPASA-N 446.982 5.172 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](C(F)(F)F)C(C)(C)C1 567065129 QDFRUVAEKIJWGI-ZCNNSNEGSA-N 448.533 5.514 30 20 IKED N#CCCSc1ccccc1NC(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1 570704068 VGPRBSZLFITUOZ-UHFFFAOYSA-N 440.956 5.342 30 20 IKED CC(C)(CCC#N)CNC(=O)[C@H](Oc1ccc(F)cc1Br)c1ccccc1 581389554 IAUFOFOWGQZDNU-LJQANCHMSA-N 433.321 5.154 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)N[C@@H]1CCc2ccc(C#N)cc21 584559374 MYWYFRLSMHWYGQ-RNODOKPDSA-N 438.394 6.091 30 20 IKED N#C[C@H](C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccc(C(F)(F)F)cn1 587988837 WJXAOHGUQJTNOP-ZDUSSCGKSA-N 441.356 5.733 30 20 IKED C[C@@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 589572413 RMHZDAMJAYFZRO-CQSZACIVSA-N 442.397 5.083 30 20 IKED CCCCCn1nc(C(=O)Nc2sc3c(c2C#N)CCCCC3)c2ccccc2c1=O 602774889 FTDVVGGGWRONQE-UHFFFAOYSA-N 434.565 5.041 30 20 IKED COc1cc(CCC2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)cc(OC)c1 603656248 AGZROCQEBZIIMX-UHFFFAOYSA-N 435.568 5.382 30 20 IKED COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)CO2 603758667 AESYNILLXOFINT-AVRDEDQJSA-N 432.907 5.194 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)cn2)cc1 603763488 BRKYLKBTLASUPT-UHFFFAOYSA-N 440.484 5.312 30 20 IKED Cc1nc(NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)sc1SCC#N 603775503 KKZOZDJXPNTSOT-UHFFFAOYSA-N 447.916 6.206 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OC4CCCCC4)cc3)n2)cc1 605257541 LYWRJMPYBYXJIE-QFIPXVFZSA-N 427.529 5.883 30 20 IKED C=CCOc1cccc(CN[C@H](c2ccc(CC)cc2)c2cccc(S(C)(=O)=O)c2)c1 608067990 YHTNTDCRCHZMEF-AREMUKBSSA-N 435.589 5.097 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]3c3ccccc3)cc2Cl)c1 609079794 JIMFWSWQGGLKQH-HSZRJFAPSA-N 431.923 6.160 30 20 IKED COc1ccc(OCCCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 609105539 APFQPBFZCGLIQN-UHFFFAOYSA-N 434.467 5.083 30 20 IKED CCC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609125034 ONIRXOPKNYZZCO-JMUQELJHSA-N 437.971 5.409 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3cccc(CSc4ccccn4)c3)CC2)c1 609208238 LBWIFVATNJQKAJ-UHFFFAOYSA-N 444.560 5.321 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(F)cc1Cl 609379139 UXGIZOVVUVREMN-UHFFFAOYSA-N 438.855 5.304 30 20 IKED C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 609387721 JATOUITVLVYWLU-ILXRZTDVSA-N 436.408 5.923 30 20 IKED Cc1ncsc1CN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609424474 NOYWWALVVRYRAZ-UHFFFAOYSA-N 426.929 5.220 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H](CN4CCCCCC4)C3)cc2)c1 609433986 USNGFXOGAIAFSJ-QFIPXVFZSA-N 432.568 5.470 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(F)c(Br)c1 609438541 JZBSFTWWOHKLMA-CHWSQXEVSA-N 436.350 5.865 30 20 IKED N#C[C@H](NC(=O)CCc1nc2ccccc2n1-c1ccccc1)c1cccc(C(F)(F)F)c1 609462451 LGVFKJDGYUXMNF-NRFANRHFSA-N 448.448 5.358 30 20 IKED Cc1cccc2c(N3CCC(C(=O)Nc4ccccc4Br)CC3)c(C#N)cnc12 610275592 SGGKOYLQGCDLPB-UHFFFAOYSA-N 449.352 5.033 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)c1 610434234 YVWQQZQQXQPGFV-UHFFFAOYSA-N 439.365 5.554 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 610489873 FKGCGMFCWYKIHU-HXUWFJFHSA-N 439.540 5.870 30 20 IKED CCS[C@@H](C)c1noc(CN(C)C(=O)Nc2cccc(C#Cc3cccs3)c2)n1 610814310 MSGJELGNJPRQHD-HNNXBMFYSA-N 426.567 5.009 30 20 IKED CCOC(=O)c1sc(NC(=O)c2sc(-c3ccccc3C)nc2C)c(C#N)c1C 614288519 HUMSDUSPUCBIKD-UHFFFAOYSA-N 425.535 5.098 30 20 IKED C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Br)s3)n2Cc2cccs2)C1 619855120 TUGRHYDIUPQLPA-GOSISDBHSA-N 448.415 5.009 30 20 IKED N#C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)c1ccc(Cl)cc1 619863832 JBXAGJYXNKHYMI-LAUBAEHRSA-N 449.967 5.616 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)N(Cc3ccco3)c3ccccc3C#N)c(C)c2c1 642076874 XIKMITCZRRTEJI-UHFFFAOYSA-N 426.472 5.575 30 20 IKED C=CCn1c(SCC(=O)N(CC)CCc2cccs2)nnc1-c1ccc(Cl)cc1 642076999 JXFLAXCCRZROEN-UHFFFAOYSA-N 447.029 5.029 30 20 IKED C=CCn1c(SCc2csc(Cc3ccc(Cl)cc3)n2)nnc1-c1cccnc1 642252722 SFVDGDONTKWTET-UHFFFAOYSA-N 439.997 5.519 30 20 IKED C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 669803209 ZYCXCKVTXVHAKB-LVXARBLLSA-N 441.579 5.140 30 20 IKED O=C(Nc1cc(Cl)ccc1C(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 672810873 KFDNCZYCKDEOGZ-HTQZYQBOSA-N 442.709 5.953 30 20 IKED C=CC[C@@H](CC)NC(=O)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 684895505 ZSYVPHYXQDFKCP-GGAORHGYSA-N 426.605 5.239 30 20 IKED C[C@H]1CN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C4)C3)CCC1(F)F 685888906 MLDFDVFYQZMMLT-KCEHJNCXSA-N 447.410 5.612 30 20 IKED CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1ccc(O)c(CN2CCCCC2)c1 725833476 ZNUGLXBHYNJSFN-UHFFFAOYSA-N 443.473 5.176 30 20 IKED C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 728412244 SJJZFZIGCVJTOX-XLIONFOSSA-N 445.469 5.666 30 20 IKED C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 730276229 IXXJRZXZJJLCTH-FQRUVTKNSA-N 447.538 6.139 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2(c3ccc(Cl)cc3)CCOCC2)cc1 730423202 NXVNRTMZDIDOBY-XMMPIXPASA-N 445.950 5.823 30 20 IKED COc1ccc(/C=C2\CCc3nc(-c4ccccc4Br)sc3C2=O)cc1O 730436149 MQPYAHWRRVIJPW-JLHYYAGUSA-N 442.334 5.499 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 731973935 PMRGZTXYKPCSNA-UHFFFAOYSA-N 443.503 6.144 30 20 IKED CC(=NOCc1nc(-c2ccc(C(C)C)cc2)no1)c1nc2ccccc2n1C(F)F 733191328 GUOKVEPVOMXTBO-UHFFFAOYSA-N 425.439 5.546 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cc(C(C)(C)C)ccc2OC)ccc1OC 733614381 BCLJQIHVVUEWNI-SFHVURJKSA-N 425.529 5.004 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)c1 734993824 JMBGDAJDHFTKMU-UHFFFAOYSA-N 431.835 5.101 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2)cc1 735518744 KQNPZYZTVGVMAG-RUZDIDTESA-N 442.515 5.072 30 20 IKED O=C(/C=C\c1ccc(-c2cccs2)cc1F)c1ccc(S(=O)(=O)CC(F)F)cc1 741851927 FZQNYCNCYKEELU-YFHOEESVSA-N 436.476 5.489 30 20 IKED COc1ccc(-c2nc(S[C@H](C)c3ccc4cc(OC)ccc4c3)nc(O)c2C#N)cc1 743453628 GXYQEFYNRZVGGO-OAHLLOKOSA-N 443.528 5.745 30 20 IKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 744032163 HILBGHLYTKKFKI-KKUMJFAQSA-N 425.674 5.237 30 20 IKED N#C[C@H](C(=O)C1CCN(C(=O)c2ccccc2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 744036246 YMEPFKLGYRGUDP-HXUWFJFHSA-N 449.963 5.192 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N[C@@H](CC)c2nc(C(F)(F)F)cs2)cc1OC 744726096 WRMGGPNJPHOKMQ-LEJCZOIISA-N 426.460 5.016 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12 746597048 KLVUHHCATZWPOY-UHFFFAOYSA-N 449.539 5.463 30 20 IKED N#CC1CCN(CC(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)CC1 747088646 JWQUIIQELZAAEM-IWXPXJIQSA-N 438.575 5.045 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cnc(-c2ccccc2Cl)s1 748003523 AKSXLDXCAPWTCI-KRWDZBQOSA-N 437.952 5.549 30 20 IKED COc1cccc([C@@H]2C[C@H](C)CN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 752485941 UOAVOONQTSDAKA-CNVLFFCLSA-N 425.532 5.966 30 20 IKED C#CCN(Cc1csc(N(C(C)=O)c2ccc(C)cc2C)n1)[C@H]1CCc2ccccc21 756487628 UUSOUFAWSZAYHN-VWLOTQADSA-N 429.589 5.567 30 20 IKED C/C(=C/c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 758872380 GIEMRNAYLGSYKX-CNYBTUBUSA-N 428.941 5.177 30 20 IKED COc1cc(F)c(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1OC 760265899 XHXKPUNVEYIGGJ-RMKNXTFCSA-N 444.459 5.019 30 20 IKED Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(F)cc2OCC#N)c1 760790656 ZFYOTLXSSOAQIY-UHFFFAOYSA-N 426.451 5.142 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1=S 764948335 ZVNBDMBEFPISFS-XZOQPEGZSA-N 449.624 5.109 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCCOc1ccc2c(c1)CCCC2 766257729 NXKWKWWGFIDQNW-DEOSSOPVSA-N 432.564 5.197 30 20 IKED N#CCCCn1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c2ccccc21 774050732 GUHLPKVHLBFRDV-MRXNPFEDSA-N 439.302 5.213 30 20 IKED N#Cc1cccc(COC(=O)C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)c1F 774963627 SRXNABKENFHTHQ-UHFFFAOYSA-N 445.490 5.068 30 20 IKED CCOC(=O)Nc1ccc(NCc2nc3ccc(Br)cc3s2)cc1C#N 775058511 VDXHOCKUXMNKLK-UHFFFAOYSA-N 431.315 5.111 30 20 IKED C[C@H](N[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1)c1ccc(OCC#N)cc1 776163612 JLWTWDJXTSDDKS-GJZGRUSLSA-N 442.382 5.887 30 20 IKED Cc1nn(-c2ccccc2)c2ncc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc12 778294795 OVMUJULPZYKVBA-OAQYLSRUSA-N 435.512 5.343 30 20 IKED COc1cc2c(cc1NC(=O)[C@H](C#N)c1nc3cc(Cl)ccc3s1)oc1ccccc12 779509754 HLPZVVJXFQIYMZ-HNNXBMFYSA-N 447.903 6.104 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 780148724 NLECGZPDRHMUQX-ZDUSSCGKSA-N 425.897 5.197 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 780458093 AGAZSBJNBHIQNB-INIZCTEOSA-N 428.517 5.822 30 20 IKED CC[C@@H](C#N)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(OC)c1OC)CC2 781128706 MHCJJIXFIRHJLM-BROZXCPCSA-N 428.488 5.198 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2cccc(Oc3ccccn3)c2)cc1 784772063 DJDRIUXTZJHXIB-DEOSSOPVSA-N 448.482 5.107 30 20 IKED N#C[C@H](C(=O)Cc1csc2ccc(Br)cc12)c1nc2ccccc2s1 796629138 OFDVHEVCLRYXLN-CQSZACIVSA-N 427.348 5.692 30 20 IKED CC(C)[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccnc1 797943547 SKPCNAOHDHBMBH-APWZRJJASA-N 430.360 6.128 30 20 IKED COC(=O)Nc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1C 798053177 AKOJYFDSNWVVMP-UHFFFAOYSA-N 431.517 5.590 30 20 IKED CC(C)(C)OC(=O)Nc1ncc(CNc2ccc(OCc3cccc(C#N)c3)cc2)s1 800519908 YNRFOMXYRWGISX-UHFFFAOYSA-N 436.537 5.553 30 20 IKED CCc1ccc([C@@H](C#N)NC(=O)c2cc(Cl)c(NC(=O)OC(C)(C)C)cc2OC)cc1 809258809 HXHXKBRCUMHOHA-LJQANCHMSA-N 443.931 5.253 30 20 IKED Cc1ccc([C@@](O)(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C(F)(F)F)o1 915085542 NHPLNBUYGKAUTQ-KNQAVFIVSA-N 428.410 5.022 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915087255 RDTZKTWINIXTKA-QHCPKHFHSA-N 440.934 5.801 30 20 IKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 915099981 JLCKGIIGXVPCPM-JTHBVZDNSA-N 427.529 5.259 30 20 IKED CCOc1ccc(N(C(=O)COc2cccc(C#N)c2)c2nc3ccccc3s2)cc1 916093685 NUOUYTQOEFOJFP-UHFFFAOYSA-N 429.501 5.310 30 20 IKED CCOc1cc(/C=C\C(=O)c2cc(Cl)ccc2Cl)ccc1O[C@@H](C)C(=O)N(C)C 916137618 XPZCRHMKUQNJOJ-APFBBLRHSA-N 436.335 5.144 30 20 IKED O=C(O)CCCOc1ccc(C(=O)/C=C\c2csc(-c3ccc(Cl)cc3)n2)cc1 916155172 MGKLUAHXSQVNMM-XFXZXTDPSA-N 427.909 5.603 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1 916912360 JKQWWMCSAZBIER-QHCPKHFHSA-N 432.907 5.443 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)cc1Cl 916940018 KAOZSHVTIQJGPH-HRAATJIYSA-N 449.938 5.337 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)n2)cc1 916977281 OYIAJWMKQIXCTF-LPHOPBHVSA-N 435.936 5.001 30 20 IKED COc1ccc(C(=O)/C=C\c2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)cc1F 917613801 MSNHOZMQFZBMPC-YHYXMXQVSA-N 437.423 5.226 30 20 IKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc2ccccc2c1 917700212 HRUVIKSQZYGZOO-FQEVSTJZSA-N 449.601 5.010 30 20 IKED CN(Cc1cccc(Br)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 918033909 HBWPIRSINGLLGE-QFIPXVFZSA-N 434.337 5.768 30 20 IKED FC(F)Sc1ccc(NC(=S)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 918721106 BCKZMHCVLLGGFJ-RKDXNWHRSA-N 438.409 5.761 30 20 IKED Cc1ccc(OCc2ccc(C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)o2)c(C)c1 920103899 HHSQAULCJNQIFX-FQEVSTJZSA-N 426.472 5.471 30 20 IKED CCN(CC)[C@H](C/N=C\c1cc(Br)cc(Br)c1O)c1ccco1 921261022 KUDGNJMMRUXWCH-RKQRPNFGSA-N 444.167 5.012 30 20 IKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@H]4c4ccccc4)CCC3)cc2)cc1 1785882555 JPHWWVHEAMAJIN-IZZNHLLZSA-N 449.554 5.039 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)cc2)CCC1 1789150531 AGGMLVVQIRCRAA-LEWJYISDSA-N 435.955 5.127 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5cccc(Cl)c45)cc3)CCC2)CCC1 1789394145 QMUFKWCFWYBLGM-UHFFFAOYSA-N 446.938 5.263 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccc(F)cc3)cc2)CCC1 1790152448 XBNWMVMQZZZFMA-UHFFFAOYSA-N 441.506 5.049 30 20 IKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4ccoc4Cl)CCC3)cc2)c1 1790765261 YLZVCXMGIMZZFD-UHFFFAOYSA-N 437.858 5.005 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@@H](C)c3ccccc3)cc2)CCC1 1791339307 IUDBUKJJHDREJJ-WOJBJXKFSA-N 435.568 5.115 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)c3ccc(C)cc3)cc2)CCC1 1791346927 NCCVJDZTOQXNLX-PMACEKPBSA-N 435.568 5.034 30 20 IKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)ccc4s3)CCC2)cc1 1791574868 GBUZQOXZIXCLJW-CYBMUJFWSA-N 428.554 5.106 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(Br)cc3)CCC2)cc1 1791589453 AVOFENYIRMZGHA-VGOFMYFVSA-N 439.353 5.173 30 20 IKED COC1(CC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)CCC1 1792051124 PEJHLQBJTDTBIN-LJQANCHMSA-N 445.563 5.021 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C4CC(F)(F)C4)CCC3)cc2)c1 1792122180 KPTZDAMOWSOVDN-MRXNPFEDSA-N 437.490 5.107 30 20 IKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5cc(Cl)ccc45)CCC3)cc2)CCC1 1792230521 WQDGZHHJFZWWTB-UHFFFAOYSA-N 446.938 5.263 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)cc2F)n[nH]1 1814580941 HYXSCSBVHVVESA-JXFKEZNVSA-N 444.938 5.277 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ncsc23)n[nH]1 1819154130 RBSOEEYNCCJCNV-OXJNMPFZSA-N 449.580 5.094 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/Sc2ccc(C)cc2)[nH]n1 1821922530 MDZCFTTUSPVDMF-CZSQVKIFSA-N 438.597 5.228 30 20 IKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)c2ccc(Cl)cc2)CC1 1823977207 MUZCKYNTVQKCMG-YKSBVNFPSA-N 443.031 5.257 30 20 IKED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCCC(C)(C)C)CC1 1831574693 UXRXAXGMGFOBOW-JTHBVZDNSA-N 434.665 5.194 30 20 IKED CC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)CC1 1831695927 HQUUZXVZFJDXHV-OPHFCASCSA-N 435.612 5.008 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1ccc(OC)cc1 17710157 MXGUAIMEAPRDJH-MRXNPFEDSA-N 433.537 5.351 30 20 IKED Cn1c(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)nc2cc(Cl)ccc21 46882408 QMAAKQCMTYMBGT-UHFFFAOYSA-N 430.986 5.160 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(C3CC3)no2)nc2sc3c(c2c1=O)CCCCC3 59405660 XZEAXIXYGKNYQL-LBPRGKRZSA-N 428.583 5.027 30 20 IKED COc1cc(C(=O)/C=C/c2cccc(NC(=O)C(F)(F)F)c2)ccc1SC(F)F 63874705 FQJHJXTWHVXQLX-FNORWQNLSA-N 431.382 5.407 30 20 IKED CCOC(=O)c1sc(NC(=O)c2cnc(-c3ccccc3Cl)s2)c(C#N)c1C 64868639 YIZORWYBUYTSER-UHFFFAOYSA-N 431.926 5.134 30 20 IKED C=CCc1cc(CNC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc(OC)c1OC 65389087 UABLCZAXDAXTHS-QFIPXVFZSA-N 440.540 5.222 30 20 IKED CCn1c(SCCC(C)(C)C#N)nnc1-c1cc(-c2ccccc2)nc2ccccc12 97599263 HWLQFPCBGPYSBL-UHFFFAOYSA-N 427.577 6.212 30 20 IKED COc1ccc(Cc2nnc(S[C@@H](C)C(=O)/C=C3\N(C)c4ccccc4C3(C)C)o2)cc1 214338772 RKLIKKCDGGYSAN-AABCQZNVSA-N 449.576 5.030 30 20 IKED C[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccc(NC(=O)C2CC2)cc1 237456565 RDMYIRXVHQVHDJ-LJQANCHMSA-N 425.532 5.337 30 20 IKED COc1cc(Br)ccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 303138535 DFVORHAOYQLKSQ-UHFFFAOYSA-N 437.293 5.161 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cc2ccccc2s1 410391603 UYCXPABJEBOVIZ-MRXNPFEDSA-N 441.512 5.381 30 20 IKED CCCc1c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cnn1-c1ccc(F)cc1 429341288 ZPMMVRIQKPKSSV-UHFFFAOYSA-N 441.466 5.275 30 20 IKED O=C(N1CCC(C(F)(F)F)(C(F)(F)F)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2 434115876 NAIFXWHEPDIHFT-WHCAJBEMSA-N 437.346 5.479 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(OCC3CCCC3)CC2)cc1F 435163887 AJLXPJJZWWERBA-UHFFFAOYSA-N 437.515 5.693 30 20 IKED O=C(c1ccc2noc(-c3ccc(F)cc3)c2c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 437294456 PTCHVGTYJDKRIX-UHFFFAOYSA-N 446.322 5.591 30 20 IKED CCCc1c(NC(=O)N2CCC[C@H]2Cc2cccc(F)c2)cnn1-c1cccc(C#N)c1 439663454 FPZTZXOEJXIPPD-NRFANRHFSA-N 431.515 5.075 30 20 IKED C[C@@H]1CN(C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)[C@@H]1c1ccccc1 442567689 CYNJILGOSFXJIA-BSDZUQITSA-N 443.934 5.154 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ncoc3-c3ccc4c(c3)OCCO4)n2)cc1 442689457 SJSZBHFWYHOAHW-QGZVFWFLSA-N 443.484 5.035 30 20 IKED Cc1sc2nc(S[C@@H](C)c3cccc(C#N)c3)n(Cc3ccccn3)c(=O)c2c1C 442912540 MYNFNEDYEJQHOS-INIZCTEOSA-N 432.574 5.243 30 20 IKED Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)COc1ccccc1C#N 460241738 ZZYSGGWVVNGASO-UHFFFAOYSA-N 442.494 5.621 30 20 IKED O=C(c1ccc(-c2noc(C(F)(F)F)n2)cc1)N(Cc1ccc(F)cc1)CC(F)(F)F 460469716 HECQIWZCDHHYPW-UHFFFAOYSA-N 447.310 5.099 30 20 IKED Cc1ccc([C@@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)s1 461321742 VTRFKELZPNXWHW-FQEVSTJZSA-N 431.590 5.638 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1nc(O)c2cc(-c3ccccc3)sc2n1 464825870 BXQABBGNOOIHTB-NHCUHLMSSA-N 426.545 5.336 30 20 IKED C=C[C@@H](CC(=O)N1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1)c1ccccc1 470387923 GSXUUENDVUQNCH-FPOVZHCZSA-N 432.589 5.885 30 20 IKED CC(C)c1ccc2c(c1)[C@H](NC(=O)Nc1ccc3c(c1)CCC(=O)N3CCCC#N)CC2 470535890 IMVOWHFYTGGGGU-HSZRJFAPSA-N 430.552 5.202 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3CC=C(c4ccccc4Cl)CC3)ccc21 470546900 BEZMZQNRLWZDRX-UHFFFAOYSA-N 448.954 5.244 30 20 IKED CC(C)c1oc([C@@H]2CCCN2CC(=O)N(CCC#N)c2ccccc2)nc1-c1ccccc1 471181935 OXGOQQIDEUHLTG-QHCPKHFHSA-N 442.563 5.549 30 20 IKED N#Cc1ccc(CSCC(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)cc1 472959617 RDOFTNUJOMTHLZ-UHFFFAOYSA-N 449.403 5.306 30 20 IKED COc1ccc2oc([C@H](C)NC(=O)NC3CCC(Oc4ccccc4C#N)CC3)c(C)c2c1 477482573 LOPRNKPFJCRIGZ-KKXNLOMOSA-N 447.535 5.372 30 20 IKED C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 480373586 XLJLSDFWGIPVCT-HRAATJIYSA-N 431.458 5.526 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)N[C@@H](C)c2ccc(C#N)cc2)nc1-c1ccccc1 481294917 MVRWYAUVWASEBW-PGRDOPGGSA-N 428.536 5.944 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1nc(-c2ccsc2)oc1C 481360073 RRWYWSPNTPWAQV-UHFFFAOYSA-N 438.578 5.669 30 20 IKED CC(C)n1c([C@H]2CCCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)C2)nc2ccccc21 482155159 HMFBTIRLZHMTEZ-FQEVSTJZSA-N 430.552 5.052 30 20 IKED CC(C)(C)n1cc(C(=O)[C@H](C#N)c2nccc3ccccc23)c(-c2ccc(F)cc2F)n1 483206618 URPRAKIOZRYWFU-LJQANCHMSA-N 430.458 5.622 30 20 IKED CCCCn1ncc(NC(=O)Nc2cnn(-c3cccc(C#N)c3)c2CCC)c1C(C)C 484682991 VVXQVYBIFCSGJK-UHFFFAOYSA-N 433.560 5.460 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccc(Br)cc1Cl 487352703 HBAZUXGJKCYKSW-GFCCVEGCSA-N 438.778 5.547 30 20 IKED Cc1c(C(=O)N[C@H](CCCC#N)c2ccccc2)nnn1-c1ccc(-c2ccccc2)cc1 487535354 KQMUCUSFWRLWCC-RUZDIDTESA-N 435.531 5.408 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C 498931340 DEQPSFUVSIAFRN-UHFFFAOYSA-N 444.491 5.376 30 20 IKED C=CCN(CCc1ccco1)C(=O)c1oc2ccccc2c1CSc1nnc(C)s1 499352586 ZFONYOCNCITTJJ-UHFFFAOYSA-N 439.562 5.349 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 500737260 BKCAVWBGJSAVTM-UGKGYDQZSA-N 439.515 5.207 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)NCc3cccc(NC(=O)C4CCCCC4)c3)CC2)cc1 502295050 RVAAFLAUZZRZCB-UHFFFAOYSA-N 442.563 5.076 30 20 IKED Cc1csc(Sc2ccc(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2)n1 503625273 MRSNOTULSQDZCN-UHFFFAOYSA-N 432.574 5.796 30 20 IKED CC(C)Oc1ccc(C#N)cc1N[C@@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 504419413 NSYRTYKGSSYIDY-INIZCTEOSA-N 448.548 5.098 30 20 IKED C=CCN(C(=O)c1nnn(-c2ccccc2Cl)c1C)c1nc(-c2ccccc2)cs1 504466725 DKSXACVWTPWCQT-UHFFFAOYSA-N 435.940 5.185 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)o2)cc1 505508273 WQOHRUIRIYIPIZ-SFHVURJKSA-N 426.259 5.032 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(F)cc3OCC(F)(F)F)cc2)nc1 505549245 BIMFPOZAVDFYGY-UHFFFAOYSA-N 431.345 5.078 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)s2)cc1 507061028 DWSNCWNIIAMFCV-GOSISDBHSA-N 448.592 5.680 30 20 IKED CCOc1ccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 507828064 SLKHDOGZWFAATR-QGZVFWFLSA-N 431.492 5.197 30 20 IKED C=CCn1c(-c2ccccc2OC)nnc1N1CCC(c2nc3ccccc3s2)CC1 508497528 LQXUETPLUUQNPZ-UHFFFAOYSA-N 431.565 5.133 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)cc1 510993854 DSLNNOSDESDKAU-MBSDFSHPSA-N 433.552 5.414 30 20 IKED CCCOc1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 511325324 TWDNGRMRXDJXQL-UHFFFAOYSA-N 429.520 5.442 30 20 IKED Cn1c([C@H](C#N)C(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)nc2ccccc21 513676207 ATJRCNCTXIWSHS-GOSISDBHSA-N 437.528 5.037 30 20 IKED C=CCN(C(=O)CSCc1coc(-c2ccccc2)n1)c1nc2c(s1)CCCC2 514450210 SBWLAFHGTBINSU-UHFFFAOYSA-N 425.579 5.129 30 20 IKED CC[C@H](c1ccccc1)N(CC)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 514808061 QFWFLMRJRUNUMN-OAQYLSRUSA-N 432.524 5.022 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)nnc1-c1cccc(C)c1 514955418 XUIVAMPSTUGODL-IAGOWNOFSA-N 441.000 5.451 30 20 IKED N#Cc1ccc(CNC(=O)COc2ccc(-c3nc4ccccc4s3)cc2Cl)cc1 515196793 TWLCYPOUPXXOMY-UHFFFAOYSA-N 433.920 5.184 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 515371732 LAXLTEXNRRCCGS-UHFFFAOYSA-N 445.523 5.059 30 20 IKED Cc1ccc(/C=C\c2cc(C(=O)N(C)C[C@@H](C)C#N)c3cc(Br)ccc3n2)o1 517939546 ZIZXCMRCLCZZRM-QPBFKRLHSA-N 438.325 5.301 30 20 IKED CCCCCN(C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C(C)C 518132553 JRHFJYCWYYTICM-OAQYLSRUSA-N 425.960 5.361 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)c(C)c2c1 518471981 OYPBWXYIIXOJTA-UHFFFAOYSA-N 438.483 6.179 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(N2CCCC2=O)cc1 518668596 GPVKLKCDNFGUNH-UHFFFAOYSA-N 433.455 5.090 30 20 IKED COc1cc(OC)c2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)[nH]c2c1OC 519058092 HOTGYPZHDWWHJF-UHFFFAOYSA-N 443.459 5.110 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)c2)cc1 520530749 NOGTVYUGSADZRX-UHFFFAOYSA-N 448.404 5.807 30 20 IKED C=CCN(C(=O)c1ccc(OCc2cc(C)no2)c(Br)c1)c1ccccc1 520716607 QRODKXGIBMWVSU-UHFFFAOYSA-N 427.298 5.157 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc(CN4CCSCC4)c3)cc2)cc1 521956007 DZHDTSUIUZMBKZ-UHFFFAOYSA-N 443.572 5.346 30 20 IKED CCCOCc1ccccc1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 522344757 OLSHOSHBOOFYFG-UHFFFAOYSA-N 445.538 5.536 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)c1 522451091 BJAQVDNPIHPXKR-HKBQPEDESA-N 433.533 5.321 30 20 IKED COc1cc(CSCC(=O)Nc2cccc(C)c2)ccc1OCc1cccc(C#N)c1 522628453 KBIVVTWWUCMDFX-UHFFFAOYSA-N 432.545 5.326 30 20 IKED CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 523944750 MIMMTUXILUKZAE-HNNXBMFYSA-N 449.894 5.230 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 524422007 UYEMCZCPKQUVFO-UHFFFAOYSA-N 444.491 5.185 30 20 IKED CN1CCC[C@H](CNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)[C@H]1c1cccs1 525571094 KLHGCPWDBKSVJC-YKSBVNFPSA-N 430.577 5.176 30 20 IKED Cc1ccc(OCCCC(=O)Nc2ccc(CN[C@H](C)c3cccc(C#N)c3)cc2)cc1 539498820 ZWXZOEAWBVMSOB-OAQYLSRUSA-N 427.548 5.515 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1ccc(F)cc1F)C(C)(C)C 540425308 OBPSRWWYURVZHC-QRQCRPRQSA-N 431.552 5.532 30 20 IKED C[C@H](Nc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)c1ccc(-c2cccc(C#N)c2)cc1 541112196 VKIMPHRDZANHPI-AWEZNQCLSA-N 445.466 5.065 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1F)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 542025389 JQUVOIAEUUGLRW-INIZCTEOSA-N 436.327 5.469 30 20 IKED N#Cc1ccc(-n2ccc(NCc3nnc(-c4ccc(Cl)cc4Cl)o3)n2)c(Cl)c1 543861792 BDIMHJZOTCSETJ-UHFFFAOYSA-N 445.697 5.366 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3nccnc3Sc3ccccc3)n2)cc1 544152691 QNCKAYFRUUJMPG-SFHVURJKSA-N 444.541 5.250 30 20 IKED C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 553172680 YKWLDOQULDVLTQ-GCJKJVERSA-N 444.535 5.022 30 20 IKED CC(C)(C#N)CCSc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 557751311 UOKYYVWBAWPJNS-UHFFFAOYSA-N 431.359 5.381 30 20 IKED COc1cc(N(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc(OC)c1OC 561471342 ZBTBPFZHQZUUCS-UHFFFAOYSA-N 433.464 5.045 30 20 IKED C=CCn1c(COCc2ccccc2)nnc1N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 565566716 MXUDMDPIEHRGCF-UHFFFAOYSA-N 443.526 5.095 30 20 IKED CCN(CCC1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1)CC(C)C 570490775 XILGSDCQOOYOSN-UHFFFAOYSA-N 449.599 5.357 30 20 IKED C=C(C)CN(CC)C(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 589297716 IZJXSYTYAGZSOM-UHFFFAOYSA-N 445.407 5.437 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c1 590537336 GKXPCKBYXFVZCC-UEVCKROQSA-N 438.955 5.550 30 20 IKED O=C(Nc1cc(Br)ccc1F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 601188011 FQESSFKIJMXICW-OCAPTIKFSA-N 437.153 5.183 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1OCC 603693003 SFSSCPFEKLNBJB-QGZVFWFLSA-N 446.507 5.426 30 20 IKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)Nc1cccc(OCCCC#N)c1 603969700 UEUOPIYHUMAHJT-UHFFFAOYSA-N 435.527 6.074 30 20 IKED CCOc1ccc(OC(C)(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 603995307 APYCMPLBQUMAMB-UHFFFAOYSA-N 443.503 5.005 30 20 IKED Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3sc4c(c3C#N)CCCCCC4)C2)cc1 603996147 BWSWOZQSNAHGQI-LJQANCHMSA-N 435.593 5.078 30 20 IKED Cc1[nH]c2ccccc2c1CCNC(=O)c1ccccc1SCc1ccc(C#N)cc1 608882610 ZKVFGBRAPLTQQQ-UHFFFAOYSA-N 425.557 5.613 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3ccc(Br)cc3)cc2F)c1 609105974 GPLQCFXGHMXTHV-UHFFFAOYSA-N 439.284 5.220 30 20 IKED N#CCn1c(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cc2ccccc21 609202257 SRRCUQCUUVPZOZ-UHFFFAOYSA-N 426.423 5.559 30 20 IKED COc1ccc(CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1OC(F)F 609297725 BFXTXUMNGKINAT-UHFFFAOYSA-N 442.393 5.030 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1OC(C)C 609401855 BYNKSYKXFIBEEB-SJORKVTESA-N 427.570 5.617 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2nc3ccccc3s2)CC1 609402055 ZYROILWGZPEPQW-INIZCTEOSA-N 436.606 5.960 30 20 IKED N#Cc1ccccc1OCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCC2 609493577 NDKWVZPXNNJEIU-UHFFFAOYSA-N 431.542 5.403 30 20 IKED CCCC(=O)Nc1cccc(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 609504147 RPTCLMBLYXACGJ-UHFFFAOYSA-N 427.504 5.214 30 20 IKED Cc1cnc2c(S(=O)(=O)N(Cc3ccc(C#N)cc3)c3ccc(F)cc3C)cccc2c1 609542219 YMWLHWMGPIZWCP-UHFFFAOYSA-N 445.519 5.258 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc(Cl)c1OCC(C)C 613392104 GOXWWHQHWMSXPU-KRWDZBQOSA-N 440.952 5.997 30 20 IKED N#C[C@@]1(F)CCN(C(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)C1 615528464 DAWPKTMDDQVSHJ-QFIPXVFZSA-N 440.862 5.043 30 20 IKED O=C(N[C@@H]1CCSc2c(F)cccc21)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618555058 DZUJAIHXIAFLIY-OUJBWJOFSA-N 430.389 5.135 30 20 IKED N#Cc1ccc(CNC(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1Cl 619787620 MPPCURHSJLAISC-UHFFFAOYSA-N 439.302 5.439 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)cc(OC)c1OC 620580700 ZGXDOKKTTLPKTI-SFHVURJKSA-N 436.552 5.008 30 20 IKED O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)NCc1c(F)c(F)cc(F)c1F 674456477 LLMVNLHBLQOXNK-UHFFFAOYSA-N 436.352 5.121 30 20 IKED C=CCN(Cc1cccs1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1 680520372 MIBCVLPJIMQVMV-INIZCTEOSA-N 447.320 5.902 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C/c3cnc(-c4ccccc4)nc3)SC2=S)cc1Cl 726626633 IVFBTIIPTRIVAC-LSCVHKIXSA-N 434.933 5.074 30 20 IKED Cc1csc([C@@H](C#N)C(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)n1 728147962 QKGRIKDXZWMHTO-NRFANRHFSA-N 433.964 5.917 30 20 IKED C#Cc1cccc(N(C)C(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)c1 728481851 QAXNGRPCPXERSD-UHFFFAOYSA-N 447.332 5.268 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C\c2cccnc2Cl)C(=O)c2ccccc2)c(Cl)c1 728699609 VOEOEPLHZYHYNN-AQTBWJFISA-N 425.315 5.910 30 20 IKED CN(CCc1ccc(Br)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 730379001 CDVVNFIFEQWSIP-QHCPKHFHSA-N 448.364 5.811 30 20 IKED CCc1ccc(-n2nc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)c3c2CCC3)cc1 730921013 SWXFIGSJAGRFCI-HSZRJFAPSA-N 448.526 5.038 30 20 IKED C=CCc1cc(CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc(OC)c1OC 733328356 POSFLDVRWFCJLU-UHFFFAOYSA-N 448.510 5.864 30 20 IKED CC(C)(CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)NC(=O)OC(C)(C)C 740534056 BPDGVBSFOGKEOB-GFCCVEGCSA-N 441.475 5.185 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2nc(C(F)(F)F)cs2)cc1 743098262 ZJMCGIMDWVZJCC-KRWDZBQOSA-N 430.455 5.182 30 20 IKED N#Cc1cc(NC(=O)c2cc(-c3ccccc3)ccc2Cl)ccc1N1CCC(O)CC1 743736423 XKDRGPNMNSFUJU-UHFFFAOYSA-N 431.923 5.092 30 20 IKED N#CCN(C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1)C1CC1 743892855 HVGXXAXNCBYDCB-UHFFFAOYSA-N 438.603 5.084 30 20 IKED N#Cc1cccc(C(=O)COC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)c1 748257087 FDWIBXMKRVOATL-UHFFFAOYSA-N 427.243 5.092 30 20 IKED C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 750705730 JCWBXKYWDCLXTK-NHYWBVRUSA-N 441.940 5.994 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H]1C[C@H](O)c1cccs1 750999270 LEQMMLNJOKTLDN-CVDCTZTESA-N 447.560 5.841 30 20 IKED CCCCCCCC(=O)N1CCC(c2nc(-c3ccccc3Br)no2)CC1 754656764 JDQJLWOFQWUQBD-UHFFFAOYSA-N 434.378 5.566 30 20 IKED COc1ccc(-c2nc(COC(=O)c3ccc(C(F)(F)F)cc3C#N)cs2)c(OC)c1 758123202 XFQQTZHLWIIGRQ-UHFFFAOYSA-N 448.422 5.075 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H](O)c1ccccc1C(F)(F)F 762379368 UEIQVDJIUFFJGN-IBGZPJMESA-N 442.462 5.192 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccccc1Oc1cccnc1 764750336 FQJXABQOZPALGR-UHFFFAOYSA-N 429.263 5.202 30 20 IKED COc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2cncc(Br)c2)CC3)cc1 767363272 YHQATPQHPPHDMI-ZSOIEALJSA-N 427.323 5.189 30 20 IKED Cc1cccc(-c2cncc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)c2)c1 768680576 GDGDVIRCWMNUAW-GOSISDBHSA-N 445.544 5.247 30 20 IKED CCCOc1ccc2c(c1)CCN(C(=O)Nc1ccc([C@H](C#N)c3ccccc3)cc1)C2 772418680 SNYTULQGFMLYLQ-AREMUKBSSA-N 425.532 5.721 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 774053179 IEXLVRKAZNGZGV-AWEZNQCLSA-N 426.423 5.268 30 20 IKED CC[C@@H](Cc1ccccc1Br)N(C)C(=O)Nc1ccccc1O[C@@H](C)C#N 775723960 XLPADRCHFPRCBP-RDJZCZTQSA-N 430.346 5.225 30 20 IKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1ccc(-c2cccc(C(C)C)c2)o1 776513213 XECHPNBXTUUKIV-IBGZPJMESA-N 446.503 5.397 30 20 IKED C[C@H]1CC[C@H](C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C1 776547544 VXANZTRPCXNDKQ-BQBZGAKWSA-N 442.240 5.407 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC(c3ccsc3)CC2)c1=S 776782350 WEJZXENYTLDEDS-UHFFFAOYSA-N 426.611 5.174 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)C(F)(F)F 776971189 UHGONEOLQLLWMN-OAQYLSRUSA-N 439.437 5.505 30 20 IKED Cc1cc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)c(C)n1-c1ccc(C#N)cc1 779280939 IGWBUQYVHDQYFQ-LJQANCHMSA-N 449.938 5.287 30 20 IKED CCCn1c(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc2ccccc21 787874399 ZIQJGWSHXQDXQV-KRWDZBQOSA-N 435.549 5.241 30 20 IKED COc1cccc(NC(=O)/C(=C\c2cnc(-c3ccco3)s2)C(=O)c2ccccc2)c1 789129314 DNFRTURCYQMIKR-ZHZULCJRSA-N 430.485 5.317 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)n1 789390838 AFVRTYYFDRHLQM-IBGZPJMESA-N 439.581 5.092 30 20 IKED COc1cccc([C@H](C)CCCC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1 789393933 VTQDQPALPZZJNG-BEFAXECRSA-N 449.576 5.435 30 20 IKED N#C[C@H](C(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1nccc2ccccc12 792091117 JJRQJKVBCHUGRZ-CPJSRVTESA-N 430.479 6.223 30 20 IKED FC(F)(F)c1cccc(-c2ccc(NN=Cc3cnc(-c4ccccn4)s3)nn2)c1 794979661 NCDHYHHLXJKLML-UHFFFAOYSA-N 426.427 5.127 30 20 IKED CCc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 795935504 UHDPIIBHMRMVMV-INIZCTEOSA-N 449.532 5.094 30 20 IKED CC(C)(C(=O)OCc1cccnc1C#N)c1csc(-c2c(Cl)cccc2Cl)n1 813167365 GQEQKBONTKLCDA-UHFFFAOYSA-N 432.332 5.405 30 20 IKED N#C[C@H](C(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1cc(C(F)(F)F)ccn1 813219032 VMQIHUWXMMBHTI-HRAATJIYSA-N 432.348 5.375 30 20 IKED CC(C)(Oc1ccc(C#N)cc1)c1nc(-c2ccc(Cn3cnc4ccccc43)cc2)no1 904474931 GOYGRHCTVOFSOL-UHFFFAOYSA-N 435.487 5.320 30 20 IKED CCCCOc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC 915349963 CWJXKCKFQPNYAP-XMMPIXPASA-N 443.547 5.851 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cccc3ccccc23)cs1 917557953 JKBKHTAZMBGMCI-SDNWHVSQSA-N 432.932 6.530 30 20 IKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2c[nH]c3cc(Cl)ccc23)cc1 918710945 LTMAMWAOSRSIIV-UHFFFAOYSA-N 425.945 5.286 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccnc(C(F)F)c3)CCC2)cc1 1786102749 YXPCSWSDVHJTNP-UHFFFAOYSA-N 439.506 5.535 30 20 IKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4sccc4s3)CCC2)cc1 1786372767 WTZIGCJWGQVMGT-OAHLLOKOSA-N 440.590 5.302 30 20 IKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3cc4c(ccc5ncccc54)s3)CCC2)cc1 1787647622 RJSZBCGQUQTKBB-UHFFFAOYSA-N 440.528 5.111 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)CSc3ccccc3)CCC2)cc1)C(F)(F)F 1791302155 RQHDBDQMUBFCON-UHFFFAOYSA-N 434.483 5.031 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@H]4c4ccccc4)cc3)CCC2)cc1 1791531947 AOCOZYXEJRGBIP-LOSJGSFVSA-N 435.527 5.110 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@@H]4c4ccccc4)cc3)CCC2)c1 1791532918 JCSDXABJFLMVBH-JWQCQUIFSA-N 435.527 5.110 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C4CC(C)(C)C4)CCC3)cc2)c1 1792126954 OSIIRIRPMZYALS-GOSISDBHSA-N 429.564 5.498 30 20 IKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3ccccc3)cc1)C2 1793053842 WKZHPQIBYFNILR-OOSCYNTBSA-N 428.576 5.374 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3sccc3s2)n[nH]1 1819029044 GRKBGIVRQCSAAB-UKRRQHHQSA-N 428.583 5.204 30 20 IKED CC(C)=CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823218316 QPGJJTRSZFTWFZ-XMSQKQJNSA-N 433.556 5.089 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCc2ccncc2)CC1 1825253259 FZGPCYYWMZOLBG-XMMPIXPASA-N 439.644 5.016 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc3ccccc3c2)CC1 1826400638 RBIXAEMMUOGNJK-LVXARBLLSA-N 432.608 5.214 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sccc2Cl)CC1 1828826892 OIYVGVDAQSKBMM-ICSRJNTNSA-N 435.033 5.403 30 20 IKED Cc1nc(SC[C@@H](O)COc2ccc(CC#N)cc2)c2cc(-c3ccccc3)sc2n1 15237686 AAMBMJNDZQSKJJ-IBGZPJMESA-N 447.585 5.265 30 20 IKED CCc1cccc(C)c1/N=C1\NC(=O)[C@@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)S1 16939081 FTWQHQMLALFGDE-MRXNPFEDSA-N 436.364 5.112 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)c2cccc3ccccc23)nnc1-c1ccccc1 18952396 REMWEOSFTYILGU-GOSISDBHSA-N 428.561 5.254 30 20 IKED N#Cc1ccc(C(=O)CSc2nnc(Nc3ccc(OC(F)(F)F)cc3)s2)cc1 19279105 WOTFZGFCJGDZNG-UHFFFAOYSA-N 436.440 5.027 30 20 IKED Cc1cc(C)cc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c1 43751175 UJDYINABDBITRP-FQEVSTJZSA-N 444.585 5.581 30 20 IKED COc1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c2ccccc12 60915662 KELJPQPRKYYPPV-UHFFFAOYSA-N 432.530 5.116 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 63641441 CBSGRKBNPIMKOB-GOSISDBHSA-N 443.503 5.259 30 20 IKED CC(C)Oc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 63839273 ZTOZLMGMLMJWEG-UHFFFAOYSA-N 445.544 5.329 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)s2)c(C)c1 64101696 UUMNUZSALITFAH-IBGZPJMESA-N 429.570 6.349 30 20 IKED C=CCn1c(-c2sc(NC(=O)CCCc3ccc(Cl)cc3)nc2C)n[nH]c1=S 108062416 QVENRJWDUHDOGU-UHFFFAOYSA-N 433.990 5.173 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c[nH]c(=S)n1-c1ccccc1 110483209 PMHUQYPAWMDTLP-UHFFFAOYSA-N 427.489 5.155 30 20 IKED Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c2c(C(C)C)noc2n1 195692574 VIASSEUEVYPION-UHFFFAOYSA-N 439.475 5.031 30 20 IKED N#Cc1cc(NCc2cc3ccccc3[nH]2)cc(NCc2cc3ccccc3[nH]2)c1[N+](=O)[O-] 301306711 ZGXWKTOOQJTQOK-UHFFFAOYSA-N 436.475 5.653 30 20 IKED O=C(NC[C@H]1CCN(CC(F)(F)F)C1)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 303007756 OAVFZMYHENWCJI-CYBMUJFWSA-N 448.382 5.126 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H](c4ccccc4)CC3)c2)cc1 303218267 UGGWIQWCTJLAJA-VWLOTQADSA-N 439.559 6.133 30 20 IKED C=CCc1cc(C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)cc(OC)c1OC 303651183 KNFQLFHFWNTLDJ-WJOKGBTCSA-N 441.593 5.266 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3C[C@@H]3c3c(F)cccc3Cl)s2)cc1 303849881 RNPAGXRDHKKKOS-KBPBESRZSA-N 444.944 5.237 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OCC(F)(F)F)c3)n2)cc1 432455320 KAWGTTBHTBXGRE-KRWDZBQOSA-N 427.407 5.113 30 20 IKED C[C@@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H]1c1ccc(C(F)(F)F)cc1 435135790 UWEQGFJPZWCQAG-HXOBKFHXSA-N 439.485 5.461 30 20 IKED CC(C)Oc1ccc(NC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1C#N 435553782 JEDVMWLQMHQWKM-FQEVSTJZSA-N 431.496 5.155 30 20 IKED CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 438118396 XPUHXBOZACUGGH-GHTZIAJQSA-N 425.916 5.209 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2c(Br)sc(C)c2C)c1C 440621141 ZXLBCDFRTVSMAG-UHFFFAOYSA-N 429.343 5.054 30 20 IKED N#C[C@@H](C(=O)c1ccc(OCc2ccccn2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 442686853 LWRKMJADQRCJHV-NRFANRHFSA-N 445.931 5.928 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c2ccccc21 443906220 JTXVXULHSUKSGX-UHFFFAOYSA-N 437.503 5.841 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)n2)cc1 444458720 PFZQESRHFULSFG-HXUWFJFHSA-N 435.508 5.603 30 20 IKED Fc1ccc(-c2nc(CN[C@H](c3ccccc3C(F)(F)F)C(F)(F)F)no2)c(F)c1 444608270 KOHJUXCWORGBHT-OAHLLOKOSA-N 437.290 5.427 30 20 IKED Cc1cc(Br)c(NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)cc1Cl 445964699 FOPMKKVXZIGMPQ-UHFFFAOYSA-N 429.705 5.029 30 20 IKED C[C@H](C#N)CN(C)C(=O)Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1 448158035 YTXZCPDBINSSLR-GFCCVEGCSA-N 429.343 5.349 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)Cc1coc(-c2ccc(F)cc2)n1 460172652 NRHLWHIAWUMPDM-UHFFFAOYSA-N 445.881 5.782 30 20 IKED N#Cc1ccc(-c2nnc(N3CCC[C@@H]3c3ccc(Cl)cc3)n2C[C@@H]2CCCCO2)cc1 461868625 MRDGSTSGGAEUGT-XZOQPEGZSA-N 447.970 5.381 30 20 IKED O=C(NCc1ccc(C(F)F)cc1)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 462275467 FUFMVDWFTSFJGR-UHFFFAOYSA-N 434.315 5.476 30 20 IKED N#CCCCn1cc(C(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)c2ccccc21 469803445 AKSRHHPHQIJQTA-GOSISDBHSA-N 425.454 5.594 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)C3c4ccccc4Oc4ccccc43)ccc21 470844529 MONQEYASUXZXRI-UHFFFAOYSA-N 437.499 5.146 30 20 IKED COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 472464776 SRQHAZUBKOQLOC-NOZRDPDXSA-N 444.506 5.047 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 480252206 LWYDHNLSRNMGMG-OAQYLSRUSA-N 427.460 5.448 30 20 IKED C=C[C@@H](CC(=O)N1CCC(c2nc(-c3ccccc3OC)cs2)CC1)c1ccccc1 481579907 QUPGCDFXSKQIIT-IBGZPJMESA-N 432.589 5.885 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2cnc3ccccc3n2)ccc1OCc1ccccc1Cl 483226570 GZIQUPLITPMYMV-GOSISDBHSA-N 443.890 5.361 30 20 IKED Cn1nc(C(F)F)c2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)sc21 483466932 YEGXRSXBABIHFO-LBPRGKRZSA-N 448.907 5.839 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1 489565951 MEIFLBUBFCCKQH-UHFFFAOYSA-N 439.751 6.030 30 20 IKED CCN(C(=O)c1cc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)ccc1Cl)C(C)C 490488882 RZJGCNKBYCHSKP-UHFFFAOYSA-N 438.959 5.279 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)o1 491975721 GCONHKOYEASZKK-SFHVURJKSA-N 426.394 5.427 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)c3ccccc3NCc3ccccc3Cl)CCO2)c1 497710527 KLTSDSOPTRRHLL-XMMPIXPASA-N 431.923 5.037 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 499812404 FFGABYAIVMVHOK-FZKQIMNGSA-N 446.359 5.651 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1ccc(C#N)cc1 503125628 JMYZKJCJRFMTNT-ZDUSSCGKSA-N 444.388 5.786 30 20 IKED CCCN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@H](C)CC(=O)Nc1ccccc1 504252167 CXOQWVGQLRODEB-HXUWFJFHSA-N 430.552 5.215 30 20 IKED Cc1cc(NC(=O)[C@@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)nn1CCC#N 504358028 CGSFMOXTWWVRFL-FQEVSTJZSA-N 429.307 5.171 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H](c4ncc5n4CCCC5)C3)cc2)c1 505297263 FLAVUPSDHDPUJQ-FQEVSTJZSA-N 441.535 5.295 30 20 IKED Cc1ccc(OCc2nc(CC(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)cs2)cc1 505338922 ROOKOJZUPVWQGW-GOSISDBHSA-N 446.359 5.261 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)c1nc(-c2ccc(Cl)cc2)cs1 505443423 IDOGWLDFHQKUKK-HNNXBMFYSA-N 437.830 5.608 30 20 IKED COc1ccc([C@H]2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)C2)cc1 508290366 RZFFCJGFYXMFAN-FQEVSTJZSA-N 443.503 5.389 30 20 IKED C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N(C)Cc1csc(C)n1 508963851 SUBOEBPDKJLXSV-UHFFFAOYSA-N 431.565 5.111 30 20 IKED N#C[C@@H](NC(=O)c1ccccc1Oc1ccncc1)c1ccc(OCc2ccccc2)cc1 509286576 PCQPJGJJDNFQQH-RUZDIDTESA-N 435.483 5.448 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(CSc2nccn2C)o1 510268245 IKYZFIKIGSGKQJ-UHFFFAOYSA-N 444.516 5.530 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)ccc1OCc1ccccc1 510606587 QVJBUXAZHHPHRN-LJQANCHMSA-N 443.547 5.958 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@]3(CCc4ccccc43)C2)cc1 510833612 OLGQODDOFWNEBF-AREMUKBSSA-N 425.488 5.056 30 20 IKED CCCc1noc2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c12 511745373 ZSRNFGKWFBMWJY-CQSZACIVSA-N 436.924 5.806 30 20 IKED O=C(NCc1nc([C@@H](F)c2ccc(C(F)(F)F)cc2)no1)c1ccc(C(F)(F)F)cc1 512061922 NYFQAWWMVWZYBC-HNNXBMFYSA-N 447.310 5.096 30 20 IKED C=C(C)CN(Cc1csc(N(C(C)=O)c2ccc(C)cc2C)n1)Cc1ccc(CO)o1 512184854 YZAOEIMLTCYJOF-UHFFFAOYSA-N 439.581 5.108 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3ccccc3-c3ccccc3C#N)c2)c1 515213205 ZIZKRUGRWHFJHV-UHFFFAOYSA-N 429.479 5.928 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(Cc4ccccc4Cl)c3)n2)cc1 516270011 KCYWSIJGMZKVBC-IBGZPJMESA-N 448.935 5.207 30 20 IKED CCO[C@@H](c1noc(-c2ccc(C(F)(F)F)nc2)n1)c1ccc(F)cc1C(F)(F)F 517056713 GGFJTKFFMKYXLH-CQSZACIVSA-N 435.299 5.434 30 20 IKED C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 517444404 ZKPWUXDLMMGLGH-NSHDSACASA-N 434.892 5.411 30 20 IKED C[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)C(c1ccccc1)c1ccccc1 517919176 AWGRQMBOMQEYQT-NRFANRHFSA-N 439.559 5.332 30 20 IKED CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 518373764 XWDYTYCXPKSFCX-GOSISDBHSA-N 427.504 5.326 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc4nc([C@H]5CCCO5)[nH]c4c3)cc2)cc1 518375876 MFBCYUMUDRXWOW-XMMPIXPASA-N 438.487 5.525 30 20 IKED COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 520915162 GGXLEHXBRTXZOE-INIZCTEOSA-N 432.501 5.256 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 521262561 MYUSAOYULRFONG-INIZCTEOSA-N 446.979 5.081 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)cc2)cc1 521356839 XQKMIFOWUHUCDL-FQEVSTJZSA-N 440.503 5.233 30 20 IKED CC(C)Oc1ccccc1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 522429631 ZJXVRDWKIADZRQ-UHFFFAOYSA-N 431.511 5.397 30 20 IKED CN(C)c1cccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 522791676 PRUNIUYYLXWQMU-DEOSSOPVSA-N 426.520 5.786 30 20 IKED C[C@@H](CCc1ccc(O)cc1)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 523799972 BRDCDECFRKKZML-IBGZPJMESA-N 431.511 5.136 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)Cc3c[nH]c4cc(Cl)ccc34)c2)cc1 524318154 WYPYBMUEUKSXPC-UHFFFAOYSA-N 429.907 5.648 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CC[C@H](COCc3ccccc3)C2)cc1Cl 534156798 LSPMKQNSDAGYLX-FQEVSTJZSA-N 446.934 5.683 30 20 IKED Cc1nnc(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)n1[C@@H]1CCC[C@H](C)C1 535337672 SMFVQQIJSMGIQQ-LZLYRXPVSA-N 443.642 5.320 30 20 IKED COc1cc([C@@H](C#N)NC(=O)c2cc(C)ccc2SC2CCCC2)cc(OC)c1OC 537332570 VLARSQCYDONTAB-LJQANCHMSA-N 440.565 5.050 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(OC(F)F)cc(OC(F)F)c1 540494469 BLWGIBLKCJOLJL-LLVKDONJSA-N 428.407 5.536 30 20 IKED Cc1ccnc(OC2CCN(C(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)CC2)c1 541071126 PEEJXHSZHHXNSS-UHFFFAOYSA-N 427.504 5.046 30 20 IKED C[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)c1cccs1)c1ccc(-c2cccc(C#N)c2)cc1 541108698 ILASFPXRNRETOO-JPYJTQIMSA-N 443.572 5.159 30 20 IKED C[C@@H](NC(=O)Nc1ccc2c(c1)NC(=O)CS2)c1ccc(-c2cccc(C#N)c2)cc1 543852320 NHIDOWFYVGAIIK-OAHLLOKOSA-N 428.517 5.152 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 549261128 MPDBURTZRTWOSJ-LAUBAEHRSA-N 431.565 5.097 30 20 IKED CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c1 550310874 AQCYLGRQWDPVID-NRFANRHFSA-N 439.987 5.294 30 20 IKED C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)[C@@H]1OCCc2sccc21 550454816 VBLWWAWTRYMFFW-SGTLLEGYSA-N 440.512 5.661 30 20 IKED Cc1nc(-c2cc3c(s2)CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)C3)cs1 552131343 BFWADDWACLTNRL-UHFFFAOYSA-N 425.554 5.053 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](c2cccs2)C1 555265624 NQCQSLAAYBRQPU-APWZRJJASA-N 444.988 5.287 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1F)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 556970740 PKRHBDHOGWEXNU-ZDUSSCGKSA-N 444.278 5.454 30 20 IKED COc1ccc(NC(=O)NCC(C)(C)CCC#N)cc1OCc1ccc2ccccc2n1 558323645 QPDOHWDPVWCHMI-UHFFFAOYSA-N 432.524 5.274 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)cc2)cc1 559253815 CSOHZPPLQBDXGV-UHFFFAOYSA-N 427.338 5.530 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N[C@H](c3c[nH]c4ccccc34)C(F)(F)F)o2)cc1 561263724 BEEUGPPDXAFRLH-OAQYLSRUSA-N 439.393 5.245 30 20 IKED CC(C)[C@H](NC(=O)c1ccccc1)c1noc(-c2cn(CCCC#N)c3ccccc23)n1 561928393 ODZLZXCRHKZRDM-QFIPXVFZSA-N 427.508 5.122 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(F)c(F)cc1N1CCCCC1 562110364 LSRFYXOINLKAME-UHFFFAOYSA-N 431.531 5.343 30 20 IKED CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 566394482 XKKXUUOZTLFAFS-IBGZPJMESA-N 444.514 5.137 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCn4c(cc5ccc(Cl)cc54)C3)cc2)ccn1 582092321 LGWCBYVAPNSAKA-UHFFFAOYSA-N 443.894 5.401 30 20 IKED CCCCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)nc(C)c1C 591559318 AZYJMYYZGONXOJ-UHFFFAOYSA-N 449.624 5.369 30 20 IKED C[C@@H](c1nnc(SCc2cn3ccccc3c2C#N)n1-c1ccccc1)N1CCCCC1 591589722 DBPGJYIRVUHRNU-IBGZPJMESA-N 442.592 5.231 30 20 IKED O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 592911146 QXCFKOYSJZRCNU-YUMQZZPRSA-N 449.273 5.441 30 20 IKED Cc1nc(CSc2ccc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)cc2)cs1 592973897 KRVBYELDRFQMHA-KRWDZBQOSA-N 439.562 5.983 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1CCc1ccccc1 603601153 SIFOSNRYGPOHKZ-UHFFFAOYSA-N 433.511 6.092 30 20 IKED CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 603691792 DADHWVQSSFDCQR-HSZRJFAPSA-N 428.492 5.513 30 20 IKED N#Cc1cc([N+](=O)[O-])cnc1NCc1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1 603870673 UVKWOHKHECHCQO-UHFFFAOYSA-N 439.431 5.453 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N[C@H](c2ccc(OC)cc2)c2ccccc2Cl)cc1 606940953 MCCVZZXXBWWQSC-HSZRJFAPSA-N 449.938 5.176 30 20 IKED N#CCn1c(C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc2ccccc21 609175671 TZAWSIMXRRTFIZ-UHFFFAOYSA-N 445.526 5.007 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1N[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 609387140 OTBVVJLWAFRDJF-LJQANCHMSA-N 437.462 5.282 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(F)c(Br)c1 609438544 JZBSFTWWOHKLMA-QWHCGFSZSA-N 436.350 5.865 30 20 IKED CCSc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 609439294 AJRKHBBCNFHMIO-QGZVFWFLSA-N 445.544 5.278 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCC(c3nc(-c4ccccc4)cs3)CC2)c1 609521788 KGOBXSYVJKTJND-UHFFFAOYSA-N 445.588 5.637 30 20 IKED CCC(CC)(CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)N[C@@H](C)c1ccccc1 609550215 VRCATRQVGNOYQE-FQEVSTJZSA-N 442.563 5.385 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2nccn2Cc2ccccc2)c1 609731050 PGEGVEIDSPXQES-UHFFFAOYSA-N 428.879 5.501 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)CSc2ccc(C#N)cc2)nc1-c1ccccc1 610112817 AZNYGLWUNWDGBX-NRFANRHFSA-N 431.561 5.792 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1c1ccccc1Br 610674429 NFUHSDRVZHMGPT-HNAYVOBHSA-N 444.398 6.070 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(O[C@H](C)c4ccccc4)nc3)n2)cc1 613319163 SRSINKWUPAFXFT-GCJKJVERSA-N 439.540 6.144 30 20 IKED CC(C)n1ncc2cc(C(=O)[C@@H](C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)cnc21 613393648 ZEAUKAFBXLPPEZ-XVPJOVGPSA-N 445.592 5.427 30 20 IKED N#C[C@H](C(=O)c1ccccc1NC(=O)c1cccs1)c1nc2cc(Cl)ccc2s1 613407417 SDNIOWHDXSCFNU-CQSZACIVSA-N 437.933 5.754 30 20 IKED CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 619429643 LANWACYSWKEGMG-DEOSSOPVSA-N 432.564 5.077 30 20 IKED O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccc(F)c(C(F)(F)F)c1 620688528 DVLJYCLSOSPPDX-UHFFFAOYSA-N 434.311 5.464 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)nnc1-c1ccco1 670476830 OMWVAPATBAXVHR-OAQYLSRUSA-N 430.533 5.505 30 20 IKED O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 674033963 KGXFIJAVGRWNST-YFKTTZPYSA-N 428.339 5.127 30 20 IKED N#C[C@@H](NC(=O)CCC(=O)c1cc(Cl)sc1Cl)c1ccccc1Br 674800135 NGCBLOFZXJBKBX-GFCCVEGCSA-N 446.153 5.161 30 20 IKED O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 678341164 WCJYZZQTKFJEQX-MJBXVCDLSA-N 448.329 5.539 30 20 IKED Cc1cc2sc(NC(=O)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)nc2cc1F 684701654 JQUGFYJPHLHJFA-RKDXNWHRSA-N 429.361 5.338 30 20 IKED FC(F)(F)c1ccc(-n2cc(CN3C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C3)cn2)cc1 685419877 HXPUMQMPEKNSPV-ZIAGYGMSSA-N 431.302 5.064 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCC(NC(=O)CC4CCCC4)CC3)n2)cc1 726321461 HTSKMYLDKGCSHB-LZBANZJXSA-N 449.620 5.550 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2ccccc2NC(=O)c2cccs2)cc1OC 726516568 OLUANYDZIUMRDF-QBFSEMIESA-N 434.517 5.226 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCc2nc3c(s2)CCCC3)cc1 727223557 VHQFNHRHULRKPQ-NRFANRHFSA-N 430.577 5.432 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)/C(=C/c3ccc(F)cc3)c3cccs3)CC2)c1 729416348 LNJHRBWXBXDAAB-XQNSMLJCSA-N 432.520 5.369 30 20 IKED CN(Cc1cccc(C#N)c1)Cn1nc(-c2ccc(Cl)c(Cl)c2)c2ccccc2c1=O 729465188 XLKMHQUPDBSSDI-UHFFFAOYSA-N 449.341 5.331 30 20 IKED COCCc1ccc(Oc2ccc(NC(=S)Nc3ccc(C#N)c(Cl)c3)cc2)cc1 730956706 FCVKOWDFPZGCPT-UHFFFAOYSA-N 437.952 6.002 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)/C=C/c1ccc(C(C)(C)C)cc1 731071600 UFSOGERBYDFDRY-BJRSVTDJSA-N 436.577 5.431 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=S)Nc2c(C(C)C)cccc2C(C)C)ccc1OC 733210955 HELGXWYVPUVDEB-LJQANCHMSA-N 439.625 6.110 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N3CCC([C@H](O)c4ccc(Cl)cc4)CC3)c2)cc1 737858712 ZQFUEPJAJYIGQC-RUZDIDTESA-N 445.950 5.541 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Oc1cccc(-c2nc(C(C)(C)C)cs2)c1 740793193 KDJKOYWAKVMOMA-UHFFFAOYSA-N 436.581 5.373 30 20 IKED C/C(=C/C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 742570728 CMGDPDUTHRZEHD-QCNRNOMUSA-N 433.314 5.698 30 20 IKED N#C[C@H](C(=O)NCc1ccccc1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1 744027368 RRKJAMVZNOHLJG-SFHVURJKSA-N 439.298 5.425 30 20 IKED CCCCCCCCc1nnc(NC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)s1 744746795 KMUHHQYNDNXIQP-UHFFFAOYSA-N 449.665 5.134 30 20 IKED N#CC(CCOC(=O)c1cc(N2CCCC2=O)ccc1F)(c1ccccc1)c1ccccc1 745190658 HEOGAEAQLFFVDR-UHFFFAOYSA-N 442.490 5.009 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2oc(C(C)(C)C)nc2C#N)cs1 746498113 INOHPJRIEVFEKK-UHFFFAOYSA-N 442.932 5.084 30 20 IKED C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 750705726 JCWBXKYWDCLXTK-ABAIWWIYSA-N 441.940 5.994 30 20 IKED CN1C(=O)CCc2cc(C(=O)/C=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)ccc21 754687858 OACLHQKVRMBLJW-UITAMQMPSA-N 436.851 5.313 30 20 IKED CC(=O)N(c1nc(C=NNc2nc(C(F)(F)F)cs2)cs1)c1ccc(F)cc1F 755904222 NELURLJWZWHPGE-UHFFFAOYSA-N 447.414 5.027 30 20 IKED C[C@H](C#N)Oc1ccc(CN[C@H](c2cccc(F)c2)c2cccc(Br)c2)cc1 759289390 DEOJOSCYZHLJNB-MWTRTKDXSA-N 439.328 5.758 30 20 IKED CC(C)(C)n1cc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c(-c2ccccc2Cl)n1 762312520 DSXJVLRTFCRLKN-JOCHJYFZSA-N 448.954 5.044 30 20 IKED O=C(/C=C/c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cc(Br)ncc1F 762427340 TVUWMLBIRABMJP-ZZXKWVIFSA-N 440.194 5.084 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC2(CCOCc3ccccc3)CC2)cc1 771114540 JWZOKKTYIRUMBJ-SANMLTNESA-N 439.559 5.851 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3C[C@H](O)c3ccc(F)cc3)cc2)c1 773274143 JMOMGDIGPGDCRC-RDGATRHJSA-N 445.494 5.610 30 20 IKED Cc1nn(-c2ccccc2)c2ncc(C(=O)N(CCC#N)C34CC5CC(CC(C5)C3)C4)cc12 776910673 WUUYLLBRWCNSDO-UHFFFAOYSA-N 439.563 5.054 30 20 IKED N#C[C@H](C(=O)C1(c2ccc(F)cc2F)CCOCC1)c1nc2cc(Cl)ccc2s1 779195250 VFUFLYCHTLQDKZ-CQSZACIVSA-N 432.879 5.153 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 780149145 BGZHSFJJQQZJJI-QGZVFWFLSA-N 433.533 5.253 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 780675486 QYZSFTQYIVFLQP-XOBRGWDASA-N 428.330 5.403 30 20 IKED CCn1c(SCC(=O)OCCCC(C)(C)C#N)nnc1-c1ccc(Cl)cc1Cl 781822311 NSWMDEMCPCKPRE-UHFFFAOYSA-N 441.384 5.237 30 20 IKED CC(C)c1ccccc1-n1c(-c2cccnc2)nn(CN2CCC[C@@](C)(C#N)C2)c1=S 784011807 DTQHWVBSEUOFCM-DEOSSOPVSA-N 432.597 5.172 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(OC(F)(F)Cl)cc1 786306650 LIYISRVZBKDEML-LBPRGKRZSA-N 433.625 5.122 30 20 IKED COc1cccc(Cl)c1CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 790767772 NUURHSRBTCTLNM-GOSISDBHSA-N 434.879 5.031 30 20 IKED CCCOc1ccc(C(=O)Nc2ccc(F)cc2OCC#N)c(OCc2ccccc2)c1 792539149 PQAFYVYNJPVMAC-UHFFFAOYSA-N 434.467 5.348 30 20 IKED N#CCOc1ccc(CNC(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)cc1 797668614 VNGXZERPSGCRLO-UHFFFAOYSA-N 432.427 5.053 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 799398106 BWIIODSJZUPVLF-ZWKOTPCHSA-N 446.617 5.240 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)c1=S 799947131 WDHNOCTVYMPEBP-DHIUTWEWSA-N 429.593 5.330 30 20 IKED COc1ccc(Cl)cc1NC(=O)[C@H](C)SCc1cc(Cl)ccc1OCC#N 808360047 TWZUSPDODIKOTP-LBPRGKRZSA-N 425.337 5.165 30 20 IKED Cc1ccc(N(CCC#N)C(=O)CN[C@H](C)c2ccc(Oc3cccnc3)cc2)cc1C 808762602 DPXQEXOFSGVRQO-OAQYLSRUSA-N 428.536 5.088 30 20 IKED N#C[C@@H](C(=O)Cc1c[nH]c2cccc(Cl)c12)c1nc(-c2c(F)cccc2F)cs1 815925378 CHMLCVWXBKGCNL-LBPRGKRZSA-N 427.863 5.642 30 20 IKED N#CCCCCOC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 914622120 FJJFQJWIYBOGPB-UHFFFAOYSA-N 441.603 5.806 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(I)cc2)cc1 915087286 RLRYUKNDBILAQA-FQEVSTJZSA-N 438.268 5.199 30 20 IKED N#Cc1cccnc1Oc1ccccc1NC(=S)Nc1cccc(Br)c1 916000387 JXUDRTRDZPLIBQ-UHFFFAOYSA-N 425.311 5.317 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(COc2ccc(Cl)cc2)cc1 916885073 MCALMMXSCAJLFE-NRFANRHFSA-N 439.298 5.534 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)cc1 916914301 YAUYASOELFRHGF-FQEVSTJZSA-N 445.567 5.142 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2cccc(Br)c2)cc1 916955072 MDNTXUNPJLTSDC-QRWLVFNGSA-N 427.342 5.243 30 20 IKED COc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916997901 ZWOXEDCYYQDWSR-QGZVFWFLSA-N 431.344 5.935 30 20 IKED N#C[C@@H](C(=O)c1ccc(SC(F)F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 917045636 ZBROINLSSKLSCB-LBPRGKRZSA-N 428.407 6.120 30 20 IKED N#C[C@@H](C(=O)CN1CCc2sccc2[C@H]1c1cccs1)c1nc2ccccc2s1 917063635 DIDBOFPHWPULOA-BTYIYWSLSA-N 435.599 5.243 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCC[C@@H]2c2ccsc2)c1=S 917454287 AHNMDURETDKTGW-LJQANCHMSA-N 447.029 5.689 30 20 IKED CCCOc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)cc1OC 917645163 SNAGUYLFKAPHHU-WOJGMQOQSA-N 444.965 5.415 30 20 IKED COC(=O)c1sc2ncc(C(=O)/C=C\c3csc(-c4ccsc4)n3)cc2c1C 920065989 PTNGWEYWDRXVOI-ARJAWSKDSA-N 426.544 5.472 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3c(Cl)cccc3Cl)n2)cc1 920143367 ZDTNOPJBFWWHTE-CQSZACIVSA-N 428.300 5.244 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc3c(O)nccc23)cc1 1624833702 UBHFWIWPWKZWQV-UHFFFAOYSA-N 426.451 5.185 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCc3c(C)noc3C)CCC2)cc1 1785840735 ASRCWZHVBJZUKH-UHFFFAOYSA-N 437.584 5.351 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C4CC(F)(F)C4)cc3)CCC2)c1 1785912450 BBZZFCUJSNSCDI-INIZCTEOSA-N 437.490 5.107 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](CC)N(CC)CC)CCC2)cc1 1789448758 GIMHZOHLLPIQBT-PKTZIBPZSA-N 425.617 5.009 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4nccc-4c3)CCC2)cc1 1789451213 BCMNRWMTILBWFM-JOCHJYFZSA-N 428.536 5.031 30 20 IKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)[C@H](F)c4ccccc4)CCC3)cc2)c1 1790762179 WHFFGWJANHPIMK-HSZRJFAPSA-N 445.469 5.156 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@]3(F)CCCCC3(F)F)CCC2)cc1)C(F)(F)F 1791302613 CBULFVUKDYAWPW-LJQANCHMSA-N 448.407 5.157 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1791730279 XLFOCAHJLXTPLE-HXUWFJFHSA-N 427.548 5.255 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1F)C2 1798593834 OOHIDDHBWZGTCP-BJWYYQGGSA-N 440.481 5.089 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(C)s2)n[nH]1 1815853736 ZFOILOHSIAZBSG-FPOVZHCZSA-N 440.613 5.173 30 20 IKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)[nH]n1 1821986244 CFOGHRCKBSFVLD-RMJJICAUSA-N 448.558 5.220 30 20 IKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)[nH]n1 1822398845 JLQZKVPIJBWGDM-INIZCTEOSA-N 428.945 5.160 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2oc3ccccc3c2C)CC1 1828129001 ONAZPEOFPYISAY-UPVQGACJSA-N 448.607 5.743 30 20 IKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)C1 1828150777 VZJCCKLDYKMOPB-HSZRJFAPSA-N 439.987 5.021 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ccn(C)c23)CC1 1828828022 BNGGLDSFVIJSMY-NOZRDPDXSA-N 447.623 5.180 30 20 IKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccoc2C)CC1)c1ccccc1 1829029615 DHESYPUETIEBCM-FTJBHMTQSA-N 446.591 5.019 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)noc2CCC)CC1 1829066298 ALCNSXNVSINTEE-NRFANRHFSA-N 443.632 5.161 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2c(F)cccc2F)CC1 1830074466 DRWCQRHMINPGEZ-QHCPKHFHSA-N 446.582 5.119 30 20 IKED C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)N(CCC#N)c1ccc(F)cc1 21551205 HJAIGKVJAYTCIW-NSHDSACASA-N 431.842 5.320 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccc(CC)cc2)cc1 22695512 RMWNYOAEOUYUGV-UHFFFAOYSA-O 433.597 5.603 30 20 IKED CCCCN(Cc1ccccc1F)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 58428436 SARVJSHLPMOBGH-UHFFFAOYSA-N 445.538 6.305 30 20 IKED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 61189496 KXMYARYMTIMFRK-UHFFFAOYSA-N 443.425 5.771 30 20 IKED C=CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(Br)ccc1F 303172316 YXUWITNYESAIGB-UHFFFAOYSA-N 445.254 5.234 30 20 IKED CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NCC1(CC#N)CC1 431047855 DDSSPEJNLNMVIS-UHFFFAOYSA-N 433.943 5.028 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1ncccc1C(F)(F)F 432228756 LWNFJIKQAPWNDT-ZDUSSCGKSA-N 425.501 5.367 30 20 IKED CC(=O)N(c1nc(CSc2cccc(C#N)c2)cs1)c1c(C)cc(C)cc1Cl 435044036 DGRCYVHJIRDHEZ-UHFFFAOYSA-N 427.982 6.262 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(CCc1ccccn1)Cc1ccncc1 436340866 SBWJNRYUVSVNEK-LJQANCHMSA-N 431.565 5.148 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCCC3(CCCCCC3)C2)cc1 437897671 SDYQBNAMSKISDU-UHFFFAOYSA-N 431.580 6.300 30 20 IKED CCCc1c(NC(=O)c2csc(Br)c2C)cnn1-c1cccc(C#N)c1 440091289 XNWCROKWPPMJPT-UHFFFAOYSA-N 429.343 5.081 30 20 IKED Cc1nc2ccccc2n1C1CCN(c2c(C#N)cnc3c(Br)cccc23)CC1 440638595 QJQPMJFINSPBKU-UHFFFAOYSA-N 446.352 5.369 30 20 IKED Cc1ccc(Sc2c(Cl)cccc2NC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 441789627 QPICAUHKFOPRCI-MRXNPFEDSA-N 449.963 5.487 30 20 IKED Cc1oc(NC(=O)CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(C#N)c1C 444740454 XNWVMONRXIBJJN-OAHLLOKOSA-N 433.352 5.009 30 20 IKED O=C(CN[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)Nc1ccccc1C(F)(F)F 444809972 DDMSRDHFRFUASR-OAHLLOKOSA-N 428.735 5.330 30 20 IKED C=CCN(C(=O)c1cccc(Cl)c1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 447129631 QXISDYUTMVOYSO-UHFFFAOYSA-N 446.981 5.008 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)NC1(c2c(Cl)cccc2Cl)CCC1 447464723 WLBHOMMCGCWRBY-UHFFFAOYSA-N 448.375 5.133 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 460772022 XRDCQDGXCHPENF-GUNSETOZSA-N 428.989 5.109 30 20 IKED C[C@@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1ccc(Cl)c2ccccc12 462213713 VQRYTTPBWIAWPE-MRXNPFEDSA-N 440.952 5.062 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)Cc1ccc(C#N)cc1 466911506 TYNNYHMKDMAMFQ-ZDUSSCGKSA-N 440.366 5.173 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 469705822 NUAZZQRSVKKGHS-HZPDHXFCSA-N 427.545 5.749 30 20 IKED CCC(CC)[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccs1 470542645 PJQURXYXSDBEDL-QHCPKHFHSA-N 438.597 5.630 30 20 IKED C=C(C)Cn1c(S[C@H](C)C(=O)c2ccccc2Br)nnc1-c1ccncc1 473783600 SYLGOQOZGDGOKK-CQSZACIVSA-N 443.370 5.042 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1C 476088160 BIBFVOZWLJSVIY-UHFFFAOYSA-N 438.527 5.900 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 479047370 CYRWTPMURGRYJA-UHFFFAOYSA-N 445.567 5.004 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1nccc2ccccc12 483228559 CXAUJLHTZAWYED-FQEVSTJZSA-N 446.432 5.807 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(C)c(C(=O)N2CCCCC2)c1 483594139 RZANJMJOCBHVTQ-UHFFFAOYSA-N 437.588 5.009 30 20 IKED Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 483608847 UQBXLWADAXTNEU-UHFFFAOYSA-N 444.441 5.434 30 20 IKED C=CCN(CC1CCCCC1)C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 485314275 FTGSAWQZQSHYJY-UHFFFAOYSA-N 425.552 5.411 30 20 IKED C=CCn1c(S[C@@H](C)c2nc3ccccc3n2C(F)F)nnc1-c1ccccc1C 488894392 IDFPGHMLJFOWOX-HNNXBMFYSA-N 425.508 6.038 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3cn4cc(Br)ccc4n3)o2)cc1 489773669 IIBKDANOAAALRU-UHFFFAOYSA-N 443.326 5.004 30 20 IKED COCC1(C#N)CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccccc2Cl)CC1 497695825 IOMJOMDHSUMVRX-FQEVSTJZSA-N 432.351 5.045 30 20 IKED COc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1Oc1ccc(C)nn1 498799187 CGDJKGCWGHYXBW-UHFFFAOYSA-N 436.471 5.377 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 505961279 WECHXSCVWADZIQ-LJQANCHMSA-N 446.860 5.215 30 20 IKED C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCC(C(=O)c2cc(F)ccc2F)CC1 508934623 KOFYPJBJQAZFAQ-UHFFFAOYSA-N 448.473 5.255 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 508941481 JVKDJERKJBEBRV-UHFFFAOYSA-N 449.620 5.871 30 20 IKED Cc1nnc(Sc2ccc(NC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)c(C)c2)s1 509291219 WFKFNVGQVIAVEL-FQEVSTJZSA-N 438.578 5.220 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 510022396 CWBDXYRARZKQBI-UKILVPOCSA-N 445.950 6.373 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 511325350 ZAPLPCSKTVMUIJ-AREMUKBSSA-N 441.531 5.709 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Br)c4cccnc34)cc2)nc1 511901922 KLPXRLXAOZVOJX-UHFFFAOYSA-N 445.276 5.309 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1c(C)cccc1C(C)C 512052506 AUMFKRMNFJQBIO-LJQANCHMSA-N 434.609 5.606 30 20 IKED CCOc1cccc2cc([C@@H](C)NC(=O)c3ccc(COc4ccccc4C#N)o3)oc12 512358289 PQTPQLZWGXSNKY-MRXNPFEDSA-N 430.460 5.366 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4ccc(C(F)(F)F)cn4)cc3)o2)cc1 513169122 AIUCLCORKAFZFW-LJQANCHMSA-N 448.404 5.616 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccccc2OCc2ccccc2Cl)n1 516787732 DJXQAKRWLHFKKK-MRXNPFEDSA-N 440.908 5.042 30 20 IKED COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N(C)c2cccc(C#N)c2)cc1 517974749 AVMQAUQZATZQED-PGMHBOJBSA-N 445.522 5.878 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(F)cc1-c1nc2ccccc2s1 518551937 FAHXLMIKYRHZIX-UHFFFAOYSA-N 447.539 5.401 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 518754458 MSFULNGNHVPVFL-GOSISDBHSA-N 443.572 6.004 30 20 IKED COC(=O)[C@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1cccc(Cl)c1Cl 520298062 KZWDUMWXONHOKP-HXUWFJFHSA-N 428.275 5.379 30 20 IKED CCCN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@H](C)c1ccccc1OC 521823357 QUPQZHBBFQVZEB-QGZVFWFLSA-N 434.565 5.619 30 20 IKED CCCN(Cc1ccc(C#N)cc1)Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1 533777477 GRCDWGYBNNWWMY-UHFFFAOYSA-N 446.620 6.037 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(N2CCCC2=O)ccc1Cl 534079081 CXAQFZKBLJXIBP-UHFFFAOYSA-N 445.906 5.692 30 20 IKED CN1CCC([C@@H]2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2)CC1 535217182 UAYJUOUZHFNXSY-OFNKIYASSA-N 436.987 5.191 30 20 IKED CN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 539576465 CCZJWYAUYBTACU-WOJBJXKFSA-N 426.442 5.395 30 20 IKED CC(C)N(Cc1ccc(NC(=O)N(C)Cc2ccc(C#N)cc2)cc1)C[C@H]1CCCCO1 541961687 CCXQXDVUTGZHFB-RUZDIDTESA-N 434.584 5.002 30 20 IKED C[C@H](Sc1cccc(Cl)c1C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 542102278 LFRLCKDUFHBXEH-VIFPVBQESA-N 429.807 5.258 30 20 IKED C=CCN(C(=O)c1cnc2nccnc2c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 542764769 GUUWRCZEORUKBY-UHFFFAOYSA-N 442.331 5.288 30 20 IKED N#Cc1cc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1Cl 543475343 UZYURQNTEJIYIX-SFHVURJKSA-N 436.726 5.152 30 20 IKED COc1cccc(C2=CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)C2)c1 543872147 MLQKRKBDRDCIOJ-UHFFFAOYSA-N 439.515 5.271 30 20 IKED COc1ccc(C2(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CCOCC2)cc1 545995244 KAMDSHDJYRYWJR-UHFFFAOYSA-N 428.488 5.046 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)c2ccccc21 549144443 APDANUUZMZHRBB-UHFFFAOYSA-N 428.414 5.088 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 549314073 ZFRSTAYMAXRQBL-CQSZACIVSA-N 428.348 5.353 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1cscc1Br 555820067 HUXDEYUWSAPCTM-UHFFFAOYSA-N 441.350 5.451 30 20 IKED Cc1cc(C#N)cnc1C(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1 556770722 RURXKUUVRZXWLQ-UHFFFAOYSA-N 427.917 5.109 30 20 IKED CSc1nc(C2CC2)cc(-c2nc([C@H](F)c3ccc(C(F)(F)F)cc3)no2)c1C#N 566646208 NBQMYLHOXQGREA-MRXNPFEDSA-N 434.418 5.680 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(Cc2csc([C@H](C)OC)n2)no1 577779901 KJUUHUKYUABZEQ-NSHDSACASA-N 425.432 5.075 30 20 IKED CC(C)(C(=O)N1CCC(c2nc(-c3ccccc3)cs2)CC1)c1cc(F)cc(C#N)c1 586776338 FMWOJNCQCGWNLO-UHFFFAOYSA-N 433.552 5.505 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H](CO)c2ccc(Cl)cc2)cc1 588787431 GHBDSVQESMLJIS-FQEVSTJZSA-N 436.964 5.010 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C)Sc1nc2c(c(-c3ccco3)c1C#N)CCC2 598583770 VAYQKZQAQOUYJY-INIZCTEOSA-N 445.588 5.946 30 20 IKED N#Cc1cccc(CNC(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)c1 603521299 UEZZBLAQARUGQG-UHFFFAOYSA-N 446.963 5.018 30 20 IKED C[C@H](Oc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cn1)c1ccccc1 603738012 MDPAPBJYRNWVNP-KRWDZBQOSA-N 440.528 5.393 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1c(C)nn(-c2ccccc2)c1C 603738899 GYVDQFXAEYYKIK-UHFFFAOYSA-N 437.503 5.038 30 20 IKED N#C[C@H](C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1nc2cc(C(F)(F)F)ccc2s1 603846313 NPDKBAFJUPIKFK-GFCCVEGCSA-N 431.351 5.460 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)CSCc1coc(-c2ccccc2)n1 603968981 RWKSRWJQAOJVKQ-UHFFFAOYSA-N 431.542 5.814 30 20 IKED CC(C)Oc1ccccc1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604086031 XLWPYFSHOBWAPL-UHFFFAOYSA-N 429.520 5.441 30 20 IKED Cc1ccc(F)c(NC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)c1 608763112 AVUIDHDNEWBXST-UHFFFAOYSA-N 431.311 5.610 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnc(-c3ccccn3)s2)cc1Cl 609011295 NGNBSGPBYSTRMR-SFHVURJKSA-N 430.920 5.766 30 20 IKED CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1 609126386 WDIYFSAWQYDORG-UHFFFAOYSA-N 442.519 5.260 30 20 IKED COCCN(CCOc1ccc(F)cc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609424381 APPBYUUBJKRIOX-UHFFFAOYSA-N 449.482 5.049 30 20 IKED N#C[C@H](NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)c1ccc(Cl)c(Cl)c1 609460581 VFJUQEGTGXJLHO-KDOFPFPSSA-N 445.375 5.201 30 20 IKED N#C[C@H](NC(=O)c1ccc2c(c1)nc(O)n2C1CCCC1)c1ccc(Cl)c(Cl)c1 609463526 BVYZOVQQVKICKO-SFHVURJKSA-N 429.307 5.158 30 20 IKED Cc1nn(C)cc1[C@H]1CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 610730163 HCWZPMRPBSBZPW-NFBKMPQASA-N 433.943 5.406 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC3(CC2)OCc2ccccc23)c1 610742519 NDAZDFCHQQEXMF-UHFFFAOYSA-N 444.918 5.666 30 20 IKED CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 610877248 OLKNWWZWJBJCDR-HXUWFJFHSA-N 439.943 5.193 30 20 IKED N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccc(F)cc1)c1nc2cc(Cl)ccc2s1 613407379 RQZVHYMOXGFEOU-SFHVURJKSA-N 434.879 5.810 30 20 IKED O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618539165 HXKNAKPQPBKXJP-OCAPTIKFSA-N 442.709 5.953 30 20 IKED O=C(c1cnc(-c2ccccc2F)s1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 619994043 OFWWEQZAVOLKGM-AOOOYVTPSA-N 426.357 5.152 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)c1C(F)F 679517204 HGUIVXADONMOSH-UHFFFAOYSA-N 433.711 5.367 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(F)c(C(F)(F)F)c(F)c3)n2)cc1 683222657 UPZLUUMJAMFYGH-ZDUSSCGKSA-N 433.361 5.469 30 20 IKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(C(C)C)cc2)c1 726570672 IEPRUWYQFBVRBD-UHFFFAOYSA-O 448.999 6.254 30 20 IKED COc1cc(C#N)cc(Cl)c1OC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 729649664 CNTIZTPJOSKWDF-GOSISDBHSA-N 444.915 5.172 30 20 IKED N#C[C@@H](C(=O)COc1ccc(C2SCCCS2)cc1)c1nc2cc(F)ccc2s1 730422144 UTEPCNXXWXADMV-INIZCTEOSA-N 444.578 5.559 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@H]1C[C@H]1c1cccc2ccccc12 730921481 ZELSQACHBADKQE-SDHOMARFSA-N 446.506 6.083 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccccc1SC[C@@H](C)C#N 730990503 YAJYFXMCIIUTHF-AWEZNQCLSA-N 442.947 5.536 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(N2CCCC2=O)cc1 731400977 ZMFGWSLUQRUHCZ-SFHVURJKSA-N 440.503 5.360 30 20 IKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2sc3cc(C(C)C)ccc3c2Cl)n1 732685769 WGUHNMAWCQSZME-AWEZNQCLSA-N 432.954 5.476 30 20 IKED CC(C)(Oc1cccc(Cl)c1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 733051628 KXNZUCUDQRDYTC-AWEZNQCLSA-N 432.879 5.776 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)ccc1OC 733230069 KUDFQWOCUHFXBU-KBXCAEBGSA-N 435.351 5.178 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)C(c2ccccc2)c2ccccc2)c1 733845553 DOGACCBSTLQPLD-HYBUGGRVSA-N 427.548 5.387 30 20 IKED CC(C)OC(=O)NCc1ccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 735172048 SFFPGHYDBKSGCX-DEOSSOPVSA-N 442.519 5.621 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 739549977 FLAXXMNNQPVHDP-UHFFFAOYSA-N 438.789 5.331 30 20 IKED C#CCOc1ccc(F)cc1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 741641380 PTWIEIQLBFCHMJ-UHFFFAOYSA-N 430.357 5.296 30 20 IKED COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3c(Cl)nc4sccn34)c2)cc1 741844425 OYJXSRCFKGXLNL-BJMVGYQFSA-N 437.908 5.206 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2Cc3ccccc3C[C@@H]2c2ccccc2)c1=S 743375443 GUBMSOAVUOWXEN-XMMPIXPASA-N 439.588 5.419 30 20 IKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1CCCC(F)(F)F 743731178 MDBZFMMGOWNDKQ-SFHVURJKSA-N 449.498 5.298 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc2cc(C(F)(F)F)ccc2n1C 744028405 HXDXFDBIAGMSGY-GOSISDBHSA-N 441.453 5.283 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)OCC(=O)Nc1sc(C)c(C)c1C 745075056 UZNDYNGSYSITHE-UHFFFAOYSA-N 427.444 5.052 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c1 746250983 KFANRRILRQBJKD-RPBOFIJWSA-N 444.506 5.005 30 20 IKED N#C[C@@H](COC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)Cc1ccccc1 750784186 QSXPHFDJIWIYLD-NRFANRHFSA-N 438.483 5.153 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C(F)(F)c1c(F)cccc1F 756923363 CWBKUURPTXBLEO-YUMQZZPRSA-N 425.266 5.082 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)OCC(=O)Nc2c(F)cccc2F)cc1Cl 761487839 MBNCFBGWQIVIMU-UHFFFAOYSA-N 442.805 5.078 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)N[C@@H](c3ccc(Cl)cc3)c3ccsc3)CCO2)c1 761667231 VQFPZGQQXSWDOQ-VXKWHMMOSA-N 437.952 5.146 30 20 IKED C=C(C)COc1cc(/C=C(\Cl)c2nc3cc(S(=O)(=O)CC)ccc3o2)ccc1OC 764438824 RBFPDYMQETZSIU-YVLHZVERSA-N 447.940 5.322 30 20 IKED Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)n2)cc1 764840000 LWAZCAKCFWJKHL-JOCHJYFZSA-N 439.544 5.166 30 20 IKED Cc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(Cl)c1 766327272 VXRWQQHFIBMONK-GOSISDBHSA-N 435.936 5.679 30 20 IKED CC(C)(C)OC(=O)N1Cc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc2C1 769294219 PTVFTIHABSPVIM-HXUWFJFHSA-N 445.544 5.551 30 20 IKED N#Cc1ccc(CN2CCC(Nc3ccc(CC[C@H](O)c4ccccc4)cc3)CC2)cc1 777676089 UGPSMUIKMBTGHA-NDEPHWFRSA-N 425.576 5.301 30 20 IKED C=CC[C@H](OC(=O)CCSCc1nc(O)c2c3c(sc2n1)CCC3)c1ccccc1 778737487 OSTRFPQGSRCJMS-KRWDZBQOSA-N 440.590 5.370 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccccc1-c1ccc(Cl)cc1 780054997 BNIYVCBSTQMCBW-DLBZAZTESA-N 447.922 5.114 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)CCCCCc1cc(-c2ccccc2)no1 780671954 ZOJOPHUDNXNCDT-IBGZPJMESA-N 432.524 5.509 30 20 IKED N#Cc1ccc(CNC(=O)c2oc3ccccc3c2CSc2ccccc2Cl)nc1 781059439 ZJPNODFCBKSPHL-UHFFFAOYSA-N 433.920 5.575 30 20 IKED Cc1cc(C(=O)N2CCSC2=Nc2cccc(Cl)c2C)c2cnn(C(C)C)c2n1 786279803 QWLAWRFMFCEMFN-UHFFFAOYSA-N 427.961 5.159 30 20 IKED Cc1sc(-c2ccco2)nc1C(=O)OC[C@H](C#N)Cc1ccccc1Br 786632836 KHKSWUIHRAXQDM-ZDUSSCGKSA-N 431.311 5.013 30 20 IKED CC[C@H](C#N)Oc1cc(CNC2CC(c3ccc(Br)cc3)C2)ccc1OC 786852580 HJQYRBBXIPITQO-LYBXBRPPSA-N 429.358 5.174 30 20 IKED C[C@H](C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1CC1 787106362 AFWXOQYSXHQTJR-YFKPBYRVSA-N 446.203 5.315 30 20 IKED C[C@H](c1cccc(N2CCOC2=O)c1)N(C)Cc1cccc(OCc2ccccc2C#N)c1 789770593 PHIPBDGUZLKVAE-HXUWFJFHSA-N 441.531 5.287 30 20 IKED C=C(C)[C@@H](NC(=O)CCc1ccccc1NC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 790936424 BNSKCMWVVQEJDC-JOCHJYFZSA-N 430.495 5.678 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)C(F)(F)F 796740021 OLLKJCOVXAFHFS-XXBNENTESA-N 441.453 5.723 30 20 IKED COc1ccc(C(=O)C[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 796902331 BKZSEUMFMAZAJL-CZUORRHYSA-N 440.471 5.182 30 20 IKED FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1noc(C[C@H]2CCC(F)(F)C2)n1 809489791 VVYYYIFYALXGHW-MRVPVSSYSA-N 431.283 5.069 30 20 IKED N#C[C@@H](C(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1cc(C(F)(F)F)ccn1 813211299 HVXDBAPIEKCWKP-IERDGZPVSA-N 448.803 5.889 30 20 IKED CCOc1ccc([C@@H](O)C2CCN(C(=O)c3sc4ccc(C#N)cc4c3C)CC2)cc1 816780769 NZYNZDZJSIQSPS-HSZRJFAPSA-N 434.561 5.066 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)c2C#N)C1 877882957 HDRSKTXWIMRZCQ-ZCFIWIBFSA-N 435.163 6.005 30 20 IKED Cc1cc(C=NN2C(=O)c3cccc4cccc(c34)C2=O)cc(C)c1OCc1ccccn1 915945844 UHCAMKFUEFCDQN-UHFFFAOYSA-N 435.483 5.061 30 20 IKED Cc1ccccc1-c1nnc(S)n1N=Cc1cccc(NC(=O)c2ccccc2Cl)c1 916341715 KOKVIASAJXJFCL-UHFFFAOYSA-N 447.951 5.330 30 20 IKED CC(C)(C)[C@H](Cn1ccnc1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 916469151 JDFQIWOTDFETLB-IRLDBZIGSA-N 435.959 5.428 30 20 IKED Cc1ccc(-n2nc(C)c(CC(=O)[C@@H](C#N)c3ccc4ccccc4n3)c2C)cc1Cl 916848758 POVGVNRYYIWTPG-NRFANRHFSA-N 428.923 5.418 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 916896884 PSRJMAVJJCFYPN-UPVQGACJSA-N 448.975 5.819 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(COc2ccc(Cl)cc2)cc1 916925935 QZTWTADYCBIOET-OAQYLSRUSA-N 448.906 5.279 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1 916949052 LDIMRFWDGNZRNF-IERDGZPVSA-N 449.938 5.789 30 20 IKED Cc1cccc(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 916996689 OAMYMDBEHBLBFH-DYVFJYSZSA-N 431.344 6.069 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1OCC 920102570 WAZWDDLNNUYYCE-KRWDZBQOSA-N 438.911 5.523 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 920103967 KFLZTRNJSBFTAL-GOSISDBHSA-N 446.894 5.094 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 920106444 ZGBBIZCCKRRHBS-NRFANRHFSA-N 436.471 5.326 30 20 IKED N#CCOc1ccccc1C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1 920846334 FVZVVWNWYYPBEV-UHFFFAOYSA-N 430.357 5.791 30 20 IKED Cc1c(C#N)c(NC(=O)CN2CC=C(c3c[nH]c4ccccc34)CC2)n(C2CCCC2)c1C 935508075 YGIOWICUPWNEKQ-UHFFFAOYSA-N 441.579 5.301 30 20 IKED CC(C)n1c(O)nc2ccc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cc21 1441425295 QRDNYSVUVVPTSZ-UHFFFAOYSA-N 426.476 5.026 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)cc3)CCC2)cc1 1786366528 BESFSWDCKUOPAF-UHFFFAOYSA-N 426.944 5.071 30 20 IKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1786395878 MJUNECWHEZPBLI-HTAPYJJXSA-N 435.593 5.016 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cccc4nc[nH]c34)cc2)CCC1 1788430685 MIEJECMJKUDJSY-UHFFFAOYSA-N 428.536 5.079 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5ccoc5c4)cc3)CCC2)cc1 1790892778 UBBMLQHWONQCSB-UHFFFAOYSA-N 449.510 5.560 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3ncc(C(F)(F)F)cc3Cl)CCC2)cc1 1791588946 NBAADYWGGWKOOW-UHFFFAOYSA-N 437.849 5.078 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1F)C2 1792573847 GKQCXAQIIJOPIB-BJWYYQGGSA-N 440.481 5.089 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cc4ccoc4s3)C2)CC1 1810511052 NVGZFLWFOGDVGX-LJQANCHMSA-N 426.582 5.108 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC2CCC2)n[nH]1 1815050021 NFFFOPKUUUOUFR-NRFANRHFSA-N 442.680 5.033 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)ccc2Cl)[nH]n1 1819308931 IKABKWJASPNGLO-OXQOHEQNSA-N 444.938 5.277 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)sc3Cl)n[nH]2)C1 1819963661 OVVWSWINPREYTR-AWEZNQCLSA-N 439.368 5.050 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 1823753476 QKASEUQDJVCVFB-KAMZKSLDSA-N 428.661 5.425 30 20 IKED Cc1ccsc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1825787022 UXJUNYLLDSAGRY-AUSIDOKSSA-N 449.620 5.231 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(F)c2F)CC1 1829068843 UHBOOMOBXAXACI-NRFANRHFSA-N 432.555 5.191 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccccc2Cl)CC1 1831369509 CCWWTGKTTBNVPI-XXBNENTESA-N 431.020 5.105 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](c1ccc(Cl)cc1)C(C)C 1847627637 RKXLKKSTTMCHIJ-MLCQCVOFSA-N 429.004 5.050 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1cc2ccccc2nc1Cl 23262745 QUQWOBVIKQSRES-UHFFFAOYSA-N 440.931 5.676 30 20 IKED Cc1cccc(Nc2nnc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)s2)c1 23356405 PGVUYPHMGXGSBB-GFCCVEGCSA-N 441.607 5.131 30 20 IKED O=C(c1ccccc1)C1CCN(C/C(O)=N/c2nc(-c3ccc(F)c(F)c3)cs2)CC1 25055853 IYYLSESEYORJGK-UHFFFAOYSA-N 441.503 5.271 30 20 IKED CCOc1cc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)ccc1OCc1cccnc1 31913366 HSWPCWRJRFOHKQ-UHFFFAOYSA-N 449.510 5.106 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1 111018610 LRDJFAKZBFSQSH-UHFFFAOYSA-N 430.464 5.298 30 20 IKED N#CCC[C@H](Nc1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1Cl)c1ccccc1 301797975 RINFYSZFLFXLOS-KRWDZBQOSA-N 433.726 5.650 30 20 IKED CCc1ccc([C@@H](Nc2ccc3cc(C#N)ccc3n2)c2cccc(S(C)(=O)=O)c2)cc1 301991138 XYPVOGLGYXXFFV-AREMUKBSSA-N 441.556 5.274 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H](c3ccccc3)N3CCCCC3=O)cc2)cc1 303288885 ARZKEGHTLREHAX-VWLOTQADSA-N 425.488 5.043 30 20 IKED Cc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)ccc1NC(=O)CC(C)C 304067946 TXWSILWKSOSRRE-UHFFFAOYSA-N 427.504 5.896 30 20 IKED Cc1cccc2nc(CCC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)[nH]c12 426118102 GFQIVIPNKNFMBC-UHFFFAOYSA-N 426.495 5.044 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C[C@H](C)c2ccc(Br)cc2)c1C 432667051 TVEGSFQUEZGIBZ-AWEZNQCLSA-N 437.341 5.256 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC(C)(C)[C@@H]2c2ccncc2)cc1 432848849 ALSUINBUAHYFCH-QHCPKHFHSA-N 428.492 5.369 30 20 IKED CN(C(=O)CN[C@H](CCCC#N)c1ccccc1)[C@H](c1ccccc1)c1ccc(F)cc1 433013076 WGALKARUUXCQQQ-XNMGPUDCSA-N 429.539 5.398 30 20 IKED O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 435356453 RJIDFSAKTHOXBB-VIFPVBQESA-N 426.357 5.340 30 20 IKED COc1cc(CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)ccc1OC(F)F 436407738 INDLWRCTJOZJHL-AWEZNQCLSA-N 443.334 6.099 30 20 IKED C[C@H](Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(=O)N(CCC#N)c1ccccc1 439590179 BIIPKYGIKJGNFK-SFHVURJKSA-N 430.464 5.134 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ncccc3Oc3ccccc3)n2)cc1 442515265 WJLQRUUHKMKWOF-LJQANCHMSA-N 427.485 5.496 30 20 IKED CN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@H](c1ccc(Cl)cc1)c1cnccn1 444274436 BIYWLPTWLLGRTK-XMMPIXPASA-N 443.938 5.250 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(-c4ccccc4OC(F)(F)F)o3)[nH]c12 444453124 GIXYMMIXPRFSAH-CQSZACIVSA-N 425.366 5.520 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] 446053949 QQQZAWZWGPMWNY-VIFPVBQESA-N 426.317 5.065 30 20 IKED C=C(C)[C@@H](NC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1)c1ccc(F)c(F)c1 446180727 ZVTJTOBLRPWYMD-GOSISDBHSA-N 447.894 5.114 30 20 IKED Cc1oc(NC(=O)CN(C)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c(C#N)c1C 447961765 DIXXAQYRZFVZQZ-UHFFFAOYSA-N 444.413 5.049 30 20 IKED C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 460800508 DFZLRCQMMYGVMC-RTBURBONSA-N 432.490 5.089 30 20 IKED Cc1nc([C@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)cs1 461485446 YSTTUZGQMSAIQK-HXUWFJFHSA-N 432.578 5.033 30 20 IKED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 463978230 DGOLZENSRCOTKH-UHFFFAOYSA-N 437.902 5.952 30 20 IKED CN(CCOCc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 465159869 XJMYJFZUWLURMA-UHFFFAOYSA-N 429.520 5.012 30 20 IKED C=CCCN(C)CC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccccn1)CC2(C)C 467283125 GPZMGHIRDGMYOG-KHPPLWFESA-N 432.593 5.239 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc(NC(=O)c3ccco3)c(C)c2)c1 467399346 OAKLQEKQEVKEKM-HXUWFJFHSA-N 444.535 5.204 30 20 IKED N#C[C@H]1N(C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)CCC[C@@]12CCCCO2 468668242 QORNOXDXBXKQID-XLIONFOSSA-N 436.364 5.184 30 20 IKED Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 469255012 UVCIRSRNVSCGTG-UHFFFAOYSA-N 444.441 5.162 30 20 IKED CCCC[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1 475458775 NKYKYQLZPIVHRR-XMMPIXPASA-N 446.595 5.015 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 476132244 FBACOKZIAJBNJJ-UHFFFAOYSA-N 433.573 5.765 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 476372079 ZNQCGQJHEBNVMF-GJZGRUSLSA-N 437.487 5.269 30 20 IKED Cc1cc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)nn1[C@H](C)C1CC1 480380023 DEICLJHJTHJABJ-GOSISDBHSA-N 429.524 5.452 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@H](C)c2oc3ccccc3c2C)nnc1-c1ccco1 480511331 CWBMKJBRLNOCEG-MRXNPFEDSA-N 436.537 5.138 30 20 IKED CN(C(=O)N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)C1CCC(F)(F)CC1 481483987 JVDVTUJXIVMQJV-CYBMUJFWSA-N 434.327 5.408 30 20 IKED N#Cc1ccc(SCC(=O)Nc2nc(-c3sccc3Br)cs2)cc1 482793950 XIXHZATWKNEDOU-UHFFFAOYSA-N 436.381 5.237 30 20 IKED N#CC[C@@H](CC(=O)N(Cc1cccnc1)c1ccc(Br)cc1)c1ccccc1 483354408 MBWQZRNSTYUMQJ-FQEVSTJZSA-N 434.337 5.465 30 20 IKED Cc1nc(NC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)sc1SCC#N 486041252 WNEYMGQDLIYULJ-KBPBESRZSA-N 426.592 5.365 30 20 IKED N#CCCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C12CC3CC(CC(C3)C1)C2 486583968 TVFRWYBFBQRSNK-UHFFFAOYSA-N 436.537 5.043 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc2c(c1)CCCC(=O)N2 491469353 XPQGMFHCJVYERM-UHFFFAOYSA-N 446.320 5.083 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCCC(=O)c1ccc(F)cc1 495006090 LCDRUGGVRYPEHQ-UHFFFAOYSA-N 431.467 5.575 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N[C@H](c3cccc(F)c3)c3ccccn3)c2)c1 498886877 MIIXEGTWLGNNAJ-AREMUKBSSA-N 437.474 5.191 30 20 IKED Cc1cc(Sc2nnc(-c3ccc(OC(F)F)cc3)o2)n2c(nc3ccccc32)c1C#N 502084595 MGYCYBZIKHMBEK-UHFFFAOYSA-N 449.442 5.470 30 20 IKED N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)F)c1ccc(OCc2ccccc2)cc1 505361037 CMWDKPHXMRSJNR-VABKMULXSA-N 448.469 5.352 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC(C)(C)c1nc(C(F)(F)F)cs1 506342575 ZEXZQUXNDNVGTC-UHFFFAOYSA-N 439.503 5.004 30 20 IKED C[C@H](Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1)C(=O)NC1(C#N)CCCCC1 507821856 AGZFWFLSFXRLTB-INIZCTEOSA-N 449.942 5.219 30 20 IKED CCN(C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C)[C@@H](C)c1ccc(C#N)cc1 509577938 FAFUXAXHWADUML-HNNXBMFYSA-N 426.442 5.295 30 20 IKED CN(CCOc1ccccc1F)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510007974 XZSFPQYHMHMUKJ-HXUWFJFHSA-N 437.902 5.677 30 20 IKED CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511511272 COXSWYNBEFRTBB-UHFFFAOYSA-N 438.940 5.579 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCc3ccc(Br)cc32)c1 513274198 QKSNVHVHPXNGHI-UHFFFAOYSA-N 433.305 5.103 30 20 IKED CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 515610889 MNNIWDJPKZNRRY-UHFFFAOYSA-N 441.531 5.308 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(N4CCCCC4)CC3)cc2Cl)cc1 515798559 HNWXETQBPXKJBB-UHFFFAOYSA-N 438.959 5.486 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccnc(OCc4ccccc4)c3)n2)cc1 516269902 CPBNEKPWBAJJDO-OAQYLSRUSA-N 436.496 5.146 30 20 IKED COC(=O)c1cn(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c2ccccc12 516649801 RYYIUWIRZJDUPK-UHFFFAOYSA-N 439.471 5.039 30 20 IKED CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(CC#N)cc1)N(C)C 516757013 ZKFLQJCCTFVBAP-QFIPXVFZSA-N 447.410 5.680 30 20 IKED CC(C)NC(=O)Cc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 516842501 VRSIWJIOZZLALY-UHFFFAOYSA-N 443.572 5.170 30 20 IKED CC(C)Oc1ccc(NC(=O)NCCSCc2ccccc2C#N)c(C(F)(F)F)c1 519173969 NIBZLGITAQCQFV-UHFFFAOYSA-N 437.487 5.419 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(CCc1ccccc1)Cc1ccccc1 519449392 BZZUVFYJGITCNQ-OAQYLSRUSA-N 429.589 6.215 30 20 IKED C[C@@H](NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1ccc2ncsc2c1 519561781 NUCIASBSRXICOJ-OAHLLOKOSA-N 438.984 5.305 30 20 IKED C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 520600594 GINJAWDZFOELOA-SFHVURJKSA-N 438.491 5.156 30 20 IKED Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc2)cc1 521537274 JMPACRBJSPYVHW-QFIPXVFZSA-N 443.572 5.307 30 20 IKED C=CCN(C(=O)c1cc2ccccc2c(OC)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 521545293 WOCBITOEMQLCSQ-UHFFFAOYSA-N 446.488 5.108 30 20 IKED Cc1ccc(-n2nc(C)c(CC(=O)Nc3ccccc3SCCC#N)c2C)cc1Cl 521715814 BDBMRDQLESIVNA-UHFFFAOYSA-N 438.984 5.638 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 521747819 ALSPTHHKNFSOCK-MRXNPFEDSA-N 437.515 6.128 30 20 IKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 524379636 OXVAIXJDVZSVPB-HNNXBMFYSA-N 428.410 5.582 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)CC3CCSCC3)s2)c(C(F)(F)F)c1 531878196 VFIJSSBBUYAULW-UHFFFAOYSA-N 425.501 5.096 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(C(F)(F)F)cc3)n2)nnc1-c1ccco1 534428935 XNUCJOYVCDNRFU-UHFFFAOYSA-N 432.427 5.690 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1CCC(F)(F)F 535472571 MRWCCULCQXDNOE-UHFFFAOYSA-N 446.416 6.458 30 20 IKED CN1C(=O)CCc2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)ccc21 536156925 DJLFAPNCPZUZAD-OAQYLSRUSA-N 429.907 5.157 30 20 IKED Cc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1NC(=O)c1cccs1 536187100 PBCAEWJWTZZHMF-HNNXBMFYSA-N 435.574 5.813 30 20 IKED Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)nn1-c1cccc(F)c1 540853895 KAIJDWDUNIJZRZ-UHFFFAOYSA-N 448.445 5.597 30 20 IKED Cc1cn(-c2ncccc2F)nc1NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542961344 KGHLMOREEKZFFF-QGZVFWFLSA-N 440.482 5.136 30 20 IKED COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)N2CCC(CC#N)CC2)cc1 543836162 JLJAPMAAONSSBL-DYTRJAOYSA-N 437.543 5.496 30 20 IKED Cc1ccnc2[nH]c(Cc3noc(-c4ccc(Oc5ccccc5C#N)c(Cl)c4)n3)nc12 545063582 BHCHWIACEUKHNW-UHFFFAOYSA-N 442.866 5.225 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(-c3ccc4sccc4c3)no2)CC1 545694096 FDDZRUZDRYRIDM-UHFFFAOYSA-N 443.488 5.455 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1 550008541 XHUQQBFUEMACJZ-UHFFFAOYSA-N 431.448 5.184 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)c(C)c1 551101043 FMQKELPPJDDXJI-ZDUSSCGKSA-N 446.370 5.097 30 20 IKED C[C@@H](Nc1ccc(F)c(N2C(=O)CCC2=O)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 552323924 WBMNXHHOPNGMQK-SNVBAGLBSA-N 448.338 5.690 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(CCC#N)c1ccc(F)cc1 554286898 VRNOBHHUQNKMRH-OAHLLOKOSA-N 443.931 5.703 30 20 IKED CC1(C#N)CCN(c2nnc(Cc3ccc4ccccc4c3)n2Cc2cccs2)CC1 555438952 CFXDIYYWVCHXJL-UHFFFAOYSA-N 427.577 5.262 30 20 IKED COc1ccc(CNc2ccc(C(=O)NC3CCCCC3)cc2C)cc1OCCCC#N 559997310 RXHNXJTXDIOUIB-UHFFFAOYSA-N 435.568 5.361 30 20 IKED COc1cnc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c(Br)c1 568562811 VUMHTKAOLHGPEX-UHFFFAOYSA-N 438.281 5.077 30 20 IKED CCOc1cc(CNc2ccc(Oc3ccnc(C#N)c3)cc2)ccc1OCC(F)(F)F 569651927 UJFZYCQAUYWXCD-UHFFFAOYSA-N 443.425 5.697 30 20 IKED N#Cc1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cnc1C(F)(F)F 570829723 SVEZRGSXAPVQAO-UHFFFAOYSA-N 427.226 5.262 30 20 IKED C=CCOc1ccc(CNC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1 571070764 BQUOWZRKTZAMOR-QFIPXVFZSA-N 448.485 5.237 30 20 IKED CC(C)CCOc1cccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1 581684868 GRCAHUUVJHNVCP-UHFFFAOYSA-N 425.504 5.198 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)c1 589739420 OAGQUBMKJNOBJY-UHFFFAOYSA-N 440.341 5.476 30 20 IKED N#C[C@@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1nc2cc(F)ccc2s1 592974773 ZEYRYMDFJAPSME-IBGZPJMESA-N 439.471 6.247 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccccc3SCc3ccco3)s2)cc1 602228929 JRLBVKBHZHYVRB-UHFFFAOYSA-N 431.542 5.743 30 20 IKED COc1ccc2cc(CN(C)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)ccc2c1 603690917 UCUZHTNSLSKPMS-UHFFFAOYSA-N 438.487 5.571 30 20 IKED Cc1cc(Cc2cnc(NC(=O)c3cccc(CC#N)c3)s2)ccc1Br 603762463 LUQVJVPLWBDZDF-UHFFFAOYSA-N 426.339 5.123 30 20 IKED N#C[C@@]1(NC(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)CCSC1 603883020 FWJNUDIJYBEYKJ-NRFANRHFSA-N 428.966 5.508 30 20 IKED COc1ccc(S[C@H](C)C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1 603957689 BRIJVEXKIYCDEF-GOSISDBHSA-N 434.536 5.728 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(Br)cc3Cl)cn2)c1 603960366 MSKHXJFFZOPKJD-UHFFFAOYSA-N 428.673 5.414 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N[C@H](C#N)c1ccc(F)cc1 604075423 SJEDNOSLJRHYAS-QGZVFWFLSA-N 445.878 5.235 30 20 IKED COc1ccccc1-c1csc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)n1 609057676 LCBWWDWDKKBMOO-UHFFFAOYSA-N 431.473 5.115 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1 609376524 DIDWKUQNALOIET-AWEZNQCLSA-N 430.455 5.395 30 20 IKED Cc1nc(-c2ccc(CCNC(=O)Nc3ccccc3S[C@@H](C)CC#N)s2)cs1 609434991 JMEQRINJZAPYPF-AWEZNQCLSA-N 442.635 5.939 30 20 IKED C[C@H]1CCCN(Cc2csc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)n2)C1 609660483 WCXYHPLUBXYGQA-SFHVURJKSA-N 446.576 5.078 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3OC(F)(F)F)cn2)cc1 610153124 PVRYHQFFOSZENK-RTBURBONSA-N 439.393 5.386 30 20 IKED N#Cc1ccc(CNC(=O)Nc2cc(Br)ccc2Br)cc1Cl 619786852 UFVLXOULPXUZCV-UHFFFAOYSA-N 443.526 5.058 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2OC)C(C)C)nnc1-c1ccc(F)cc1 639430391 GHFFPLRLDHQNBN-FQEVSTJZSA-N 440.544 5.034 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)cc(C(F)(F)F)c1 674785057 QMVUBKRATRKJON-IAZYJMLFSA-N 425.266 5.484 30 20 IKED C=CCN(Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1)Cc1ccc(Cl)s1 674867101 YTFJVFGDKKNJTE-UHFFFAOYSA-N 446.041 6.348 30 20 IKED CC(=O)c1ccc(C#N)c(N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c1 680373614 IFHQZXZQUJDIQA-RUZDIDTESA-N 444.579 5.454 30 20 IKED Cc1cc([C@@H](C#N)C(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)nc(C)n1 728148108 SZGVWLFITJGCQU-HSZRJFAPSA-N 442.950 5.559 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)c1 730396975 VHZRFGITXKFMIO-QGZVFWFLSA-N 426.444 5.286 30 20 IKED C#CCOc1cccc(NC(=O)c2cccc(COc3ccc(CCC(C)=O)cc3)c2)c1 730975638 HNUYRIWTWBNJHA-UHFFFAOYSA-N 427.500 5.052 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(CC2CC2)C(=O)N[C@H]1c1ccc(O[C@@H](C)C#N)cc1 731430084 LKHGROWUAYXSCV-WNSKOXEYSA-N 449.938 5.107 30 20 IKED CCN(CC)c1ccc(C=Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)c(O)c1 732621323 GHYWETPRNTXHEH-UHFFFAOYSA-N 428.598 5.237 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)ccc1OC 733232202 PUXNVAIFPMZTSB-DNVCBOLYSA-N 434.458 5.205 30 20 IKED COc1ccc2[nH]cc(C(=O)/C=C\c3ccc(OCc4cc(C)c(C(=O)O)o4)cc3)c2c1 734307746 RQDRRYYYZXZDTA-YHYXMXQVSA-N 431.444 5.251 30 20 IKED CCn1ncc2c(C(=O)OCc3cc(Cl)ccc3OCC#N)cc(-c3ccccc3)nc21 735340768 BCNJCDVRUXLPDS-UHFFFAOYSA-N 446.894 5.031 30 20 IKED COc1ccc2cc(-c3cc(C(=O)N=c4cc[nH]cc4C#N)c4ccccc4n3)ccc2c1 735438977 MNKSKSIXCQMQPT-UHFFFAOYSA-N 430.467 5.004 30 20 IKED C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 739160764 WCKDPULTNOANTO-AUUYWEPGSA-N 439.462 5.756 30 20 IKED N#Cc1ccc(NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)cc1C#N 740713605 SGRRPGYIPCMSKW-UHFFFAOYSA-N 426.526 5.584 30 20 IKED Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)c1cnn(-c2ccc(C#N)cc2)c1C 741845330 VGUMGPSJQIPPEN-OUKQBFOZSA-N 427.895 5.096 30 20 IKED CC[C@@H](NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C)c1nc(C(F)(F)F)cs1 744722041 HYZDZRGUQQLKTL-QGZVFWFLSA-N 432.471 5.322 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 748003553 CIOWJPNWLURUHY-AUUYWEPGSA-N 448.504 5.193 30 20 IKED CC(=O)N[C@H](C)CCc1ccc(-c2csc(NN=Cc3ccccc3Cl)n2)cc1 749262919 OJLLFWRBRQWNNK-OAHLLOKOSA-N 426.973 5.367 30 20 IKED CC(C)Oc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)cs2)cc1 749338977 WDOJLAQMPHCKTJ-INIZCTEOSA-N 439.924 5.212 30 20 IKED Cc1oc(-c2ccco2)nc1CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 750405031 XJPSUSSBXIFNFZ-LBPRGKRZSA-N 425.416 5.064 30 20 IKED C=CCOc1ccc(C(=O)c2ccccc2)c(OC(=O)c2cnc([C@H]3CCCO3)s2)c1 760964925 ATFKAVASGASXCX-LJQANCHMSA-N 435.501 5.010 30 20 IKED CC(C)(C)OC(=O)N(CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccccc1 761092160 FXCSGCWLQFICCK-INIZCTEOSA-N 441.940 5.568 30 20 IKED C#Cc1cccc(N(Cc2ccccc2)C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)c1 762302512 FAMSNCQHMGXVSE-UHFFFAOYSA-N 441.918 5.537 30 20 IKED Cc1ccc(C)c(-c2nn(CN3CC=C(c4ccc(C#N)cc4)CC3)c(=O)c3ccccc23)c1 767986252 GSXBRPPPDQBOEE-UHFFFAOYSA-N 446.554 5.299 30 20 IKED Cc1cc(C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)ccc1NC(=O)OC(C)(C)C 772688541 QFWZRMSIRJYZGQ-GOSISDBHSA-N 449.429 5.235 30 20 IKED Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)N=C2SCCCCC#N)cc1 776232903 YPUBDIHVLGIYPU-XSFVSMFZSA-N 444.387 6.473 30 20 IKED CC[C@H](C#N)Oc1cccc(CNCc2cccc(Br)c2OC(F)F)c1 776928986 PBDBXUHQGFXFDB-OAHLLOKOSA-N 425.273 5.021 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 780637374 WSMIYGFTUNOACN-SNVBAGLBSA-N 439.344 5.152 30 20 IKED C[C@H](NCc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(-c2cccc(C#N)c2)cc1 782525156 XSBUJSKGXSHDKO-INIZCTEOSA-N 426.488 5.072 30 20 IKED C[C@H](C#N)Oc1ccc(CNc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)cc1 785547651 NVYHBZXGSNZAKH-OAHLLOKOSA-N 449.473 5.633 30 20 IKED COc1ccc2c(c1)CN(C(=O)Nc1ccc(F)cc1OCC#N)[C@H](C1CCCCC1)C2 787418635 ZARVWMLHQGRNKR-QHCPKHFHSA-N 437.515 5.276 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N(CC[C@@H]3C[C@H]4CC[C@H]3C4)C3CC3)ccc21 787483648 SPHIEHDHQZFNRZ-SLFFLAALSA-N 434.584 5.092 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 789451791 OCISMZJJUCUWGF-ICSRJNTNSA-N 429.605 5.696 30 20 IKED N#C[C@@H](C(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1cnc2ccccc2n1 792101593 BLISYZLXBKCKRK-OSPHWJPCSA-N 431.467 5.618 30 20 IKED Cc1sc2ncn(N=Cc3c[nH]c4cc(OCc5ccccc5)ccc34)c(=O)c2c1C 792627067 HMQFQPNWYPAVFX-UHFFFAOYSA-N 428.517 5.017 30 20 IKED CCC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 794580699 ZFCXJKZCUVSKFA-HXUWFJFHSA-N 438.936 5.389 30 20 IKED N#CC1(CCCOC(=O)C2(Cc3nc4ccccc4s3)CCCCC2)CCOCC1 800121117 MEPSXOXWMQXYME-UHFFFAOYSA-N 426.582 5.433 30 20 IKED Cc1cc(=O)oc2cc(N(C)C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)ccc12 805349897 IAACPCLGXTUKDF-UHFFFAOYSA-N 444.874 5.695 30 20 IKED CC(=NNc1cc(Cl)nc(C)n1)c1sc(-c2ccccc2Br)nc1C 814855114 GCEQKPGJJXNDEH-UHFFFAOYSA-N 436.766 5.469 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)O[C@@H](c3nc4ccccc4o3)C(F)(F)F)o2)cc1 816063287 HSQZQWDLXIJIQY-IBGZPJMESA-N 442.349 5.332 30 20 IKED CN(C(=O)c1ccc(NCc2cc(C#N)ccc2Br)cc1)C1CCCCC1 864007418 WWWADGGBCKONIT-UHFFFAOYSA-N 426.358 5.338 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cc1 915085090 FYDQHGGOIOTUSF-HXUWFJFHSA-N 431.289 6.103 30 20 IKED Cc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C(C)C)cc1 915087554 VFJVXDOPZMFMDL-JWQCQUIFSA-N 425.532 5.044 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1 915087652 WKUDTJXMMCSEKN-NERFXCGQSA-N 449.392 6.014 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccnc(OCc3ccccc3)c2)cc1 915359070 LAFCEYUHPJMGDM-AREMUKBSSA-N 448.526 5.638 30 20 IKED O=C(CSC(F)(F)F)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F 915870513 PRXDUNSVEBPVJS-UHFFFAOYSA-N 440.340 5.288 30 20 IKED Fc1cc(Br)ccc1C=Nn1c(S)nnc1Cc1cccc2ccccc12 916278840 YPFJZFNVWWCVFF-UHFFFAOYSA-N 441.329 5.095 30 20 IKED CCCN(CC(=O)Nc1cc2oc3ccccc3c2cc1OC)Cc1ccc(C#N)cc1 917116756 YPOKCAGECNBQHY-UHFFFAOYSA-N 427.504 5.317 30 20 IKED N#Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 917645018 QVOHCAXPOANPNA-YBFXNURJSA-N 433.470 5.132 30 20 IKED C=CCOc1ccccc1C(=O)OCc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1 919064811 WVCGVTADXKKONI-UHFFFAOYSA-N 442.924 5.403 30 20 IKED COc1cc(/C=C\C(=O)c2c(C)nn(C)c2C)ccc1OCc1cccc(C(F)(F)F)c1 920832284 IHDMCRAMFDKVPS-NTMALXAHSA-N 444.453 5.539 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cc4ncccc4[nH]3)cc2)CCC1 1790841250 YBLNRCKBFKLQLP-UHFFFAOYSA-N 428.536 5.079 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)n4cccc4)CCC3)cc2)c1 1792126227 BSTWVGJBNFBZQJ-WOJBJXKFSA-N 440.547 5.124 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(F)c(C(F)(F)F)c1 1803862791 UNCAYOAXPGIQCL-BJWYYQGGSA-N 440.481 5.089 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)CC3Cc4ccccc4C3)CC2)C1 1804868564 JLDSKXVXOJDLEL-UHFFFAOYSA-N 436.640 5.015 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc4c(C)cccc4[nH]3)CC2)C1 1805457168 VXLXJWHLAYBOLV-UHFFFAOYSA-N 433.596 5.090 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cccc(C)c3[nH]2)[nH]n1 1819554580 JMKPGVZSWVMCCG-NRFANRHFSA-N 447.583 5.498 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccn(C)c23)CC1 1828277861 BJODPUIMLFRESB-NOZRDPDXSA-N 447.623 5.180 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 1828832117 ZNGKLONUYBTWJT-FXSWLTOZSA-N 434.624 5.178 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCn2cccc2)CC1 1829034538 WNQZJZVANQUMJQ-VWLOTQADSA-N 439.644 5.047 30 20 IKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)CC1)C(F)(F)F 1830424170 SPYVPDODMWXMHX-FQEVSTJZSA-N 442.566 5.331 30 20 IKED C#CCCCCC(=O)N1CC2(CCCN2C(=O)C2CCC(c3ccc(Cl)cc3)CC2)C1 1841409488 XCMCWBIUOLQPNR-UHFFFAOYSA-N 441.015 5.011 30 20 IKED C=CCC(=O)N1CC2(CCCN2C(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)C1 1844724350 CTXVTPYDOSBJGE-UHFFFAOYSA-N 434.502 5.146 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)s1 22730605 CPHINDCQCPAOQZ-UHFFFAOYSA-O 444.045 6.346 30 20 IKED CCCCc1ccc([C@H](NC(=O)c2cc(C#N)c(SC)nc2O)c2cccs2)cc1 31892906 XYIOAHXBUACVOZ-FQEVSTJZSA-N 437.590 5.304 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc3ccccc3c2)nnc1-c1ccccc1F 195568838 ZKZIDZOBBRARJG-KRWDZBQOSA-N 446.551 5.393 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1OC 213204607 JDQMKGJZZKKWAG-LUAWRHEFSA-N 434.561 5.289 30 20 IKED C=CCOc1c(Br)cc(CNc2ccccc2CN(CC)C(C)=O)cc1OC 236982853 VKKBUKIXBNMCIE-UHFFFAOYSA-N 447.373 5.003 30 20 IKED Fc1ccccc1-c1nnc(S)n1N=Cc1sc(Nc2ccccc2)nc1Cl 254384281 SIHXJUKPPSXTQK-UHFFFAOYSA-N 430.921 5.109 30 20 IKED CCN(CC)[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccccc1 303388961 NBGVWLXSZXFHMH-SANMLTNESA-N 427.548 5.467 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)cc(OC)c1OC 303549835 HCIAKQMEIQULRN-UHFFFAOYSA-N 429.822 5.279 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2ccnc(N3CCCCC3)c2)c1 303667949 OINIADMHMUTCNC-UHFFFAOYSA-N 446.938 5.319 30 20 IKED Cc1c(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)sc2ccc(C#N)cc12 427995936 XNBZOASLNILOJB-UHFFFAOYSA-N 427.533 5.319 30 20 IKED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3ccc(Oc4ccc(C(C)(C)C)cc4)nc3)nc12 429588212 FYCGZFQZXDPGNQ-IBGZPJMESA-N 425.492 5.241 30 20 IKED COc1cc(CN(C)C(=O)c2cccc(SCC#N)c2)ccc1OCc1ccccc1 429933820 OOASZNBONJRQDT-UHFFFAOYSA-N 432.545 5.162 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)c1ccccc1 432692562 JRHGINQXHBKQAK-HSZRJFAPSA-N 427.508 5.887 30 20 IKED CSC[C@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 432854999 UCDZFYUQCJISBT-SFHVURJKSA-N 429.973 5.398 30 20 IKED CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(F)cc2C#N)c2cccs2)cc1 435634679 HHYHAMOIJKXVRW-OYHNWAKOSA-N 435.524 5.117 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNc1ccccc1S[C@@H](C)CC#N 435654847 MLKJFNPQSCQBJX-INIZCTEOSA-N 425.001 6.208 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c12 436326659 BLUNNSGSFZFZNS-JTHBVZDNSA-N 441.579 5.284 30 20 IKED Cc1c(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cccc1C(=O)Nc1ccccc1 438198963 GVAQYUDSETUZSL-NOZRDPDXSA-N 438.531 5.551 30 20 IKED CO[C@H](C)c1nc(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cs1 438410475 KOAQBCYFVNNIGL-CYBMUJFWSA-N 427.913 5.098 30 20 IKED Cc1ccc(SC2CCCC2)c(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c1 438630817 ZBGDZCCUJIGRKL-UHFFFAOYSA-N 435.593 5.416 30 20 IKED O=C(Nc1ccc(CCC(F)(F)F)cc1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 439641368 CWQCDCDCVAHXEW-UHFFFAOYSA-N 446.326 5.172 30 20 IKED C=CCN(C(=O)c1coc2ccc(OC)cc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 440448451 XBEVYZKTQJRWNI-UHFFFAOYSA-N 435.461 5.306 30 20 IKED C=CCC[C@H](NC(=O)N[C@@H]1CCC[C@H]([S@](=O)CC)C1)c1ccc(C(F)(F)F)cc1 440842251 JEYWKLOTRIIOBV-DLMQQVCUSA-N 430.536 5.092 30 20 IKED Cc1c(COC(C)(C)C)cccc1NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 441833667 AGPGFMQMXNWRFX-MRXNPFEDSA-N 439.581 5.282 30 20 IKED C=CCC[C@H](NC(=O)N[C@@H]1CCOC2(CCSCC2)C1)c1ccc(C(F)(F)F)cc1 442239265 SZBAPBFMXULCRR-MOPGFXCFSA-N 442.547 5.457 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c2ccccc21 443918523 GADOSJYAKRIZPV-UHFFFAOYSA-N 425.517 5.574 30 20 IKED Cc1ccc2oc(-c3noc(C4CCN(c5oc(-c6ccco6)nc5C#N)CC4)n3)cc2c1 445746716 BCJHOCYCIQLPHM-UHFFFAOYSA-N 441.447 5.295 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)c1 448290835 SUSXWYOQNXJLNY-UHFFFAOYSA-N 429.402 5.218 30 20 IKED Cc1cc(C)n(-c2ccc(C(=O)N(Cc3ccc(Cl)cc3)c3cccc(C#N)c3)cn2)n1 460341900 ZTFUPBSTIJBYJX-UHFFFAOYSA-N 441.922 5.256 30 20 IKED C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H](OCCC)CC1 460930852 TTXWKEREAQDZKK-OAQYLSRUSA-N 442.604 5.103 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)NCC1(c2ccc(F)cc2)CCCC1 462231710 LATONLPNWWRORO-SFHVURJKSA-N 425.573 5.260 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)cc1 464960349 OPHZBZIDMLEHAH-UHFFFAOYSA-N 448.544 5.235 30 20 IKED CCO[C@H]1C[C@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C12CCCC2 466430182 GUHBTNNKYLNLJX-ZEQRLZLVSA-N 433.552 5.191 30 20 IKED Cn1c(C(F)F)nc2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)ccc21 467185717 IPCHPLWWBHVKKS-AWEZNQCLSA-N 442.878 5.778 30 20 IKED C=CCOc1ccc(CN(C(=O)C2CCN(c3nc(C)cs3)CC2)C(C)(C)C)cc1 467882557 FYWPAARMQAFYRO-UHFFFAOYSA-N 427.614 5.060 30 20 IKED Cc1cc(NC(=O)c2ccc(C(F)(F)F)c(F)c2C)n(-c2ccc(C(F)(F)F)cn2)n1 468012386 UKDHFAJLXPJFOS-UHFFFAOYSA-N 446.326 5.313 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)c1 468647927 MHJHPEYOPVZKFD-VWNXMTODSA-N 435.911 5.071 30 20 IKED N#CCCCN1C(=O)CCc2cc(NCc3c(OC(F)F)ccc4ccccc34)ccc21 469122134 YRDVBZWZUKDIPP-UHFFFAOYSA-N 435.474 5.636 30 20 IKED CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469951065 UPPFOWIWRDIVBR-QHCPKHFHSA-N 433.552 5.189 30 20 IKED C=CCn1c(SCc2nnc(Cc3ccccc3C)o2)nnc1-c1ccc(Cl)cc1 471213291 SSTOLGBRHXDTBS-UHFFFAOYSA-N 437.956 5.359 30 20 IKED Cc1cc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)c(C(F)(F)F)o1 471817570 UYTDIKDWTZYETC-UHFFFAOYSA-N 448.294 6.204 30 20 IKED COc1cc(CN(C)[C@H](C)c2ccc([S@](C)=O)cc2)ccc1OCc1cccc(C#N)c1 477076915 PQFWFEBIZHMYMB-WHUARKNTSA-N 448.588 5.076 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(-n4cc(C(F)(F)F)cn4)c3)cc2)nc1 477911401 UMTGSSDZOVNKHP-UHFFFAOYSA-N 449.392 5.202 30 20 IKED Cc1cc(Br)cc(Cl)c1C(=O)N[C@@H](C#N)c1cccc(Br)c1 480858452 TVTGYNCSFHOYKP-AWEZNQCLSA-N 442.538 5.168 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ncccc1OCc1cccc(Cl)c1 481301513 PEBOPLXMCRZGHF-UHFFFAOYSA-N 441.915 5.010 30 20 IKED CS(=O)(=O)c1c(Cl)cccc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 481856162 NOIQOEGWMARFOE-UHFFFAOYSA-N 442.949 5.019 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1cnc2ccccc2n1 483247130 WBVCAZRKYDRZKF-CYBMUJFWSA-N 425.300 5.550 30 20 IKED Cc1ccc(C(=O)c2c(NC(=O)c3ccc(C(C)(C)C#N)cc3)sc3c2CCOC3)cc1 484054674 FZEGNYNDRMYCIH-UHFFFAOYSA-N 444.556 5.414 30 20 IKED CCCN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@@H]1CCc2ccccc21 484905470 LEDOBIXRKRUBNC-RUZDIDTESA-N 439.515 5.215 30 20 IKED CC(C)c1ccc([C@@H]2CCCCN2C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc1 489480177 HBTZIPAZBWPYRK-DEOSSOPVSA-N 438.593 5.255 30 20 IKED Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)[C@H](Oc1ccccc1C#N)C(C)C 490104928 KNSOERDWPNNZOD-XMMPIXPASA-N 427.504 5.161 30 20 IKED C=C[C@@H]1CCCCN1C(=O)NC[C@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 491833838 XCJNQONMZHQZSX-XMSQKQJNSA-N 433.552 5.067 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 493668030 ZXQFGMUJZGNDHD-HNNXBMFYSA-N 432.998 5.893 30 20 IKED COc1cc(C(=O)N[C@](C)(C#N)C(C)(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 499486898 QYBUJANCANKWMN-OAQYLSRUSA-N 431.876 5.107 30 20 IKED Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)[C@H]1CCC[C@H](C)C1 503297541 GCVDXWUKFSRBKK-QYXIYQDXSA-N 447.579 5.300 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](c3ccccc3F)C2)cc1Cl 504041085 ZKPUAMUKIRQBRS-PGRDOPGGSA-N 433.914 6.156 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@H](c2ccccc2OC)C1 508848907 OTXLNABHIUXDBI-UXHICEINSA-N 448.567 5.005 30 20 IKED C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](c2nccs2)C1 508928650 AVKZVEQQYGYZHR-HZPDHXFCSA-N 429.977 5.098 30 20 IKED CC1(C#N)CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc(Cl)cc2)CC3)CC1 509407792 SJVBDPDJYGEVSJ-MNDPQUGUSA-N 441.962 6.141 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)CC2)cc1 510074257 QMUKDCZZAQOJFY-UHFFFAOYSA-N 433.508 5.065 30 20 IKED CN(C)C(=O)c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1Cl 510146196 WDWCBDSVJKNQAE-UHFFFAOYSA-N 435.936 5.317 30 20 IKED Cc1cc(-c2nc([C@@H](F)c3ccc(C(F)(F)F)cc3)no2)nn1-c1cccc(C#N)c1 512001799 ZONFEWTVPRBXSY-SFHVURJKSA-N 427.361 5.180 30 20 IKED CC(C)NC(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 513997800 WCCNQBCBFOPCEA-UHFFFAOYSA-N 444.510 5.070 30 20 IKED COc1ccc(CCCN(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 516469247 WOLOIIBIRKLYEE-UHFFFAOYSA-N 443.547 5.437 30 20 IKED CC(C)Cc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)C2CC2)cc1 518151567 PIBNUFCPCGIEFN-KOSHJBKYSA-N 449.620 5.343 30 20 IKED CCc1cccc2c(CCNC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)c[nH]c12 518939414 UWSKQNQGGWEFCV-UHFFFAOYSA-N 439.563 5.097 30 20 IKED Cc1cc(C)n(-c2cccc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)c2)n1 519947382 WKUDPUFZNUNLOO-UHFFFAOYSA-N 438.535 5.135 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 520729412 FRDNWRXEHKXGLI-NRFANRHFSA-N 435.524 5.118 30 20 IKED CCc1ccc(-c2nc(CC(=O)NC3CCC(Oc4ccccc4C#N)CC3)cs2)cc1 521112902 NQGCSXFHOYHPQG-UHFFFAOYSA-N 445.588 5.293 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4ccco4)nc3O)cc2Cl)cc1 521597453 AKJBTWMIQZKDSG-UHFFFAOYSA-N 431.835 5.617 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 521754424 WSKHGYOJWBLANU-QFIPXVFZSA-N 439.515 5.150 30 20 IKED COc1ccc(CS[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1C#N 535394955 YDCJAHIZVULLLX-LLVKDONJSA-N 428.863 5.499 30 20 IKED CCCn1c(-c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)nc2cc(C#N)ccc21 536138435 ZHYLMPIQOUGYMR-UHFFFAOYSA-N 435.940 5.779 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 537244451 WOYYCQLDCVGZTE-DNQXCXABSA-N 449.457 5.589 30 20 IKED Cc1cc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)nn1-c1ccccc1Cl 538548649 OMXZOGKYQHHDKV-UHFFFAOYSA-N 429.867 5.145 30 20 IKED C=CCN1CC[C@H](Sc2nnc(-c3cc(-c4ccc(C)cc4)nc4ccccc34)o2)C1=O 538606029 XKHHGGXTWRCGIH-QFIPXVFZSA-N 442.544 5.139 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)Nc1ccccc1SCCC#N 541007314 TZMRXPQWGCHCMZ-UHFFFAOYSA-N 432.332 6.215 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CCO[C@@H](c4ccc(F)cc4)C3)cc2)c1 541736546 VGMQZXPOSKORGW-ZJSXRUAMSA-N 431.467 5.531 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)CC1 548899042 RRQVJMDDVQVHAS-VWLOTQADSA-N 436.515 5.184 30 20 IKED CCN(C(=O)c1cc(C#N)cc(N(C)C)c1)[C@H](c1cccnc1)c1csc2ccccc12 550649444 YPXSEEQFUOKYTP-RUZDIDTESA-N 440.572 5.486 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCCn4c(cc5ccccc54)C3)c2)c1 554420234 JDXOUDNAIQNBPT-UHFFFAOYSA-N 449.514 5.203 30 20 IKED COc1ccc2ccccc2c1-c1cc(CNC2CCN(c3ccc(C#N)cc3)CC2)on1 560548774 AXQZAZXJYNVBQI-UHFFFAOYSA-N 438.531 5.134 30 20 IKED Cc1ccc(/C=C/c2nc(SCC(=O)Nc3ccccc3S[C@H](C)CC#N)n[nH]2)o1 561138856 XIDXFCUJJRNQJX-BOLDSZDNSA-N 439.566 5.002 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1c(Cl)cc(Cl)c2cccnc12 561400249 KMIRCAMNCSCUPZ-ZDUSSCGKSA-N 446.359 5.953 30 20 IKED O=C1CCc2cc(NCc3cc(F)c(C(F)(F)F)cc3F)ccc2N1CC(F)(F)F 564194940 HCWHEWLTYDEGRU-UHFFFAOYSA-N 438.318 5.437 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(O[C@@H]3CCOC3)cc2)cc1Cl 564629993 DUQDJJSUNJKQSC-FYYLOGMGSA-N 432.907 5.415 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)NC2(c3ccc(C(F)(F)F)cc3)CCCC2)cc1 574090506 ZKHGHCHBAIHYAY-UHFFFAOYSA-N 443.469 5.031 30 20 IKED CCO[C@@H](c1noc(-c2ccc(C3(C#N)CC3)cc2)n1)c1ccc(F)cc1C(F)(F)F 574198446 VBKLGHQGAPSFBU-GOSISDBHSA-N 431.389 5.576 30 20 IKED Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 579538880 XDZBMWKCGFAJLU-UHFFFAOYSA-N 430.851 5.615 30 20 IKED CC1CCC(OC2CCN(CCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)CC2)CC1 584070710 VMFIVBKEWHFIPQ-JLAWEPINSA-N 443.657 5.133 30 20 IKED N#Cc1cccc(CNC(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)c1 604127632 CGGOMLIANLIIND-OAQYLSRUSA-N 438.300 5.049 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 608995182 BDPHRYPKXOZJJD-FQEVSTJZSA-N 434.323 5.258 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1N(C)Cc1ccccc1 609046343 COYIGACTHULDIF-UHFFFAOYSA-N 430.508 5.451 30 20 IKED CC[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccccc1OC(F)F 609057787 ONTRULAKJLBFCI-LJQANCHMSA-N 426.419 5.213 30 20 IKED Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)c12 609104086 NTUHYTHZFJKPQG-UHFFFAOYSA-N 442.450 5.251 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@H](C)c2sc(C)nc2C)cc1 609318673 YBQDTUTZIYPJBR-OAHLLOKOSA-N 436.537 5.657 30 20 IKED COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cccc(COc3cccc(C#N)c3)c2)c1 609641349 RDQCJPNKDMKLEM-RUZDIDTESA-N 442.515 5.132 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)NCc3ccc(OCc4ccccn4)cc3)c2)c1 609642380 SKPKOHRNRWLFRG-UHFFFAOYSA-N 449.510 5.041 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1noc(-c2cccc(F)c2)n1 610427333 ZGRGYIJCOHXGPW-UHFFFAOYSA-N 430.414 5.042 30 20 IKED O=C(Nc1ccc(-n2cccn2)c(F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 613085742 HEVNVFXKWVUHBA-QWRGUYRKSA-N 438.347 5.042 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)ccc1OCc1ccccc1Cl 613291263 XPNAXXYXJRUMQD-HXUWFJFHSA-N 442.902 5.966 30 20 IKED CCOc1cc(-c2ccccc2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 613404379 QDRUCEBIKSRDBZ-OAHLLOKOSA-N 437.471 6.049 30 20 IKED O=C(N[C@H](Cc1ccccc1)c1ccccc1F)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674634282 MDVNZOIALCFDPD-XYJFISCASA-N 448.382 5.492 30 20 IKED O=C(Nc1cnn(-c2ccccc2F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 674856984 LRMVHQNPIUXFFT-GDNZZTSVSA-N 438.347 5.042 30 20 IKED CN(CC#N)Cn1nc(-c2ccccc2Cl)n(-c2cccc(C(F)(F)F)c2)c1=S 725772420 PRJBGNXQQIIKSC-UHFFFAOYSA-N 437.878 5.155 30 20 IKED CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=S)Nc1ccc(C#N)c(Cl)c1 726476919 RWHCBTYBYDIBCK-UHFFFAOYSA-N 427.936 5.002 30 20 IKED Cc1cccc(-c2nnc([C@H](C)OC(=O)c3ccc(COc4ccc(C#N)cc4)o3)o2)c1 728108503 AFBVRDGKHRTTKT-INIZCTEOSA-N 429.432 5.007 30 20 IKED C[C@@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)N1CCC[C@H]1c1cccs1 728669287 NPHSWPJZQNNAPA-VGSWGCGISA-N 446.528 5.321 30 20 IKED C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(N2CCCC2=O)cc1 729570907 OAFWHUVXJPANES-GOSISDBHSA-N 440.503 5.360 30 20 IKED COc1ccc(C2(NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CCOCC2)cc1 730422749 AVQVDISMJFOTGN-RUZDIDTESA-N 441.531 5.178 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 731332547 OEQTWVKIHFEACJ-GAJHUEQPSA-N 442.540 5.787 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)cc2)cc1 732495689 GMHOVWCMOBJYKQ-HXUWFJFHSA-N 447.853 5.299 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)ccc1OC 733655796 CEXSPOZLARJENA-HNAYVOBHSA-N 449.473 5.298 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCOc3ccc(Cl)cc3C2=O)cs1 733749431 WREBKSAUMWUTGK-LFIBNONCSA-N 438.936 5.838 30 20 IKED Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c(C)c1 734586341 QAMOHLAHFITCHI-HXUWFJFHSA-N 442.515 5.247 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)c2)cc1 734705516 KMRFTADVWSPYGL-VWLOTQADSA-N 445.478 5.252 30 20 IKED CC(C)(C)NC(=O)c1cccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1 740439879 JOFUJQQJKVNKIC-UHFFFAOYSA-N 432.549 5.137 30 20 IKED CCc1ccc([C@H]2CCCCCN2C(=O)NCc2ccc(OC)c(O[C@H](C#N)CC)c2)o1 740478646 ICKPZVIPRQMSGC-LEWJYISDSA-N 439.556 5.358 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(N3CCSCC3)cc2)cc1 741579127 GYMKMKYOFMSHTC-UHFFFAOYSA-N 433.508 5.295 30 20 IKED O=C(O)c1ccccc1COc1cccc(/C=C/C(=O)c2c(Cl)nc3sccn23)c1 741845028 USOUWFOSRKLJMZ-CMDGGOBGSA-N 438.892 5.223 30 20 IKED C[C@H](Oc1cccc(Br)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 741904356 XWCCCYOTFVUJQH-KSFYIVLOSA-N 435.321 5.511 30 20 IKED FC(F)(F)c1ccccc1C=NOCc1ncc(-c2ccccc2Br)o1 742352333 OQRYYPMZZRWVGI-UHFFFAOYSA-N 425.204 5.674 30 20 IKED N#Cc1cc(NC(=O)Nc2ccccc2SC2CCCC2)ccc1N1CCC(O)CC1 743092494 UTAMSCKJRUGXTF-UHFFFAOYSA-N 436.581 5.198 30 20 IKED C[C@H](OC(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl)C(=O)Nc1cccc(C#N)c1 744782978 AOVQXLOQWGZXFX-VIFPVBQESA-N 431.197 5.068 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)OCc3nnc(-c4cccc(C#N)c4)o3)s2)c(C)c1 744884036 CUCVRGRLTNKMLJ-UHFFFAOYSA-N 430.489 5.014 30 20 IKED COC(=O)COc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)cc1 745020549 LKVRPJRAXJLZCU-ZROIWOOFSA-N 449.890 5.040 30 20 IKED C=CCSc1ccccc1NC(=O)COC(=O)[C@@H](C)c1ccc(Br)s1 745641748 WRHKWNCPGYUDMV-LBPRGKRZSA-N 440.384 5.074 30 20 IKED CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 748840039 VLAMPOILVATMPB-DMZKTXOQSA-N 449.523 5.206 30 20 IKED O=C(Cc1csc(-c2ccc(F)c(F)c2)n1)OCc1c(F)c(F)c(F)c(F)c1F 750163092 VUALIFTZBUSOIC-UHFFFAOYSA-N 435.320 5.070 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC1([C@H](O)c2ccccc2)CC1 752209706 JCCATKMGVZSGQH-XMMPIXPASA-N 427.504 5.294 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H](O)c1c(F)cccc1Cl 752636958 NTLSUUFQPKSNSB-FOMLIJIXSA-N 437.902 5.378 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(-n3ncc4ccccc43)cc2)c1 752791695 NZDAZIQSIBIFDE-JOCHJYFZSA-N 425.492 5.028 30 20 IKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1sc2cc(C)ccc2c1Cl 759239517 OVCKSGDMTJCUDD-AWEZNQCLSA-N 442.924 5.190 30 20 IKED COc1cccc(-c2nn(C(C)(C)C)cc2/C=C/C(=O)c2cccc(N3CCOC3=O)c2)c1 759653976 YFCODFZEZDKPHU-VAWYXSNFSA-N 445.519 5.166 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)N[C@@H](c3ccccc3)c3cc4ccccc4o3)CCO2)c1 761655358 BQKJXTKPZWPSTK-UIOOFZCWSA-N 437.499 5.177 30 20 IKED C=CCn1c(-c2cccs2)nn(CN2CCC[C@@H]2c2nc3ccccc3s2)c1=S 764847079 BASYOGJKYBLESL-MRXNPFEDSA-N 439.635 5.733 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)ccc21 765427558 VIAUJCNHMGYEDR-UHFFFAOYSA-N 435.524 5.042 30 20 IKED CCCC[C@@H](ON=C(C)C)C(=O)O[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 767753199 ZPPUFPKHLVUDOO-MLGOLLRUSA-N 428.316 5.619 30 20 IKED N#CCCCn1cc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)c2ccccc21 768028888 QBGLHJRWURLXAD-VWLOTQADSA-N 443.572 5.383 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-n2cnc3ccccc32)nc1 768932154 PKNRVVXFCNWUES-UHFFFAOYSA-N 446.470 5.040 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)Nc1ccccc1O[C@@H](C)C#N 780583277 YPWLPPDODLVUQF-INIZCTEOSA-N 443.482 5.623 30 20 IKED COc1ccc2cc(-c3cc(C(=O)N4CCC(CC#N)CC4)c4ccccc4n3)ccc2c1 782132197 LAFMNUMQJVJUIF-UHFFFAOYSA-N 435.527 5.829 30 20 IKED Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 782552429 FJRNTMDTOMAJNV-RPWUZVMVSA-N 427.552 5.831 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 789457097 RVVRWDOCONCXET-UHFFFAOYSA-N 443.632 6.039 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccsc2)N(Cc2cccs2)C1=O)Nc1ccc(F)cc1 790747016 CJHPAXPOHDSUFC-KRWDZBQOSA-N 445.566 5.109 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1nc(Br)ccc1Br 790962768 RHCWGNVOUNXSGU-UHFFFAOYSA-N 438.163 5.711 30 20 IKED N#Cc1ccc(C[C@@H](C#N)C(=O)OCc2cc(Cl)c(Br)c(Cl)c2)cc1 791739653 ADRURVMMMQEWKU-AWEZNQCLSA-N 438.108 5.053 30 20 IKED C=CC[C@H](OC(=O)CS[C@H](C)C(=O)Nc1cc(C)on1)c1ccc(Cl)c(Cl)c1 797554051 OLWHGLUJOTZQQD-WBMJQRKESA-N 443.352 5.211 30 20 IKED N#CC1(CCCOC(=O)c2ccccc2Oc2cccc(Br)c2)CCOCC1 800142403 QVZIWJHGUCJYBM-UHFFFAOYSA-N 444.325 5.499 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccncc2OCc2ccccc2)cc1 806201589 ZFBDPAXFXPRIRI-AREMUKBSSA-N 448.526 5.638 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CC(C)(C)[C@@H]2c2cccs2)c1=S 808223815 OLFINDMZMNFMFF-IBGZPJMESA-N 426.611 5.378 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNCc2cc(Br)cc(Br)c2)c1 808388812 ASOIRSSELYPOTN-KRWDZBQOSA-N 438.163 5.182 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@H]1COC(=O)NC1CCCC1 809877822 RLZIXEJSLLVDCL-MJGOQNOKSA-N 444.601 5.136 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3Cc4ccc(Br)cc4C3)cc2)ccn1 810282218 OOPHLLMLVZBVHV-UHFFFAOYSA-N 435.281 5.056 30 20 IKED N#Cc1ccc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)c(C(F)(F)F)c1 811632815 BGICPNKATVGXFU-UHFFFAOYSA-N 442.253 5.313 30 20 IKED Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C/c1cnn(CC(F)F)c1 814188572 NYIALQOWTLJYHR-VOTSOKGWSA-N 438.297 5.239 30 20 IKED C=C(C)CN1C(=O)/C(=C/c2cccc(NC(=O)c3ccccc3Cl)c2)SC1=S 814290964 UZEIZPRQSVHSAW-WQRHYEAKSA-N 428.966 5.370 30 20 IKED CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1OC 838487425 YMEYZGIVKYBAQX-IBGZPJMESA-N 445.972 5.027 30 20 IKED C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc(Br)cc2)no1 904709492 UHJGSKNPCSPXTB-CYBMUJFWSA-N 428.714 5.208 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(F)cc2F)ccc1OCc1ccc(C(=O)OC)o1 916128224 PRSGPEDPCTVDBS-WTKPLQERSA-N 442.414 5.218 30 20 IKED O=[N+]([O-])c1cc(C=Nn2c(S)nnc2-c2cccs2)ccc1Oc1ccc(F)cc1 916314137 OGMRQBYPNMZGEU-UHFFFAOYSA-N 441.469 5.017 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(Cl)cc2)n1 916902369 FGUNXVFWINDTLQ-SFHVURJKSA-N 437.952 5.549 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(SCc3csc(C)n3)cc2)cc1 916914116 VMXXBFKBSMKTJE-OAQYLSRUSA-N 435.574 5.267 30 20 IKED CCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)c(F)c2)cc1OC 917144334 GEBRHKVECSCHJY-FMIVXFBMSA-N 449.478 5.038 30 20 IKED COc1ccc(Cl)cc1C(=O)/C=C\c1csc(N(C(C)=O)c2ccc(C)cc2)n1 917559395 IJSWOACWADQRLT-YFHOEESVSA-N 426.925 5.694 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)cc1OC 918667612 HEVBWRYIBPBJNV-XYOKQWHBSA-N 432.476 5.066 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)c4ccccc34)n2)cc1 920140095 BOVQKLKQQXOEMD-IBGZPJMESA-N 443.915 5.744 30 20 IKED N#C[C@H](C(=O)/C=C\c1ccc(Br)o1)c1nc(-c2c(F)cccc2F)cs1 920804032 ISGYXCDQPMGFGR-VLWUPBBWSA-N 435.249 5.333 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2nn(-c3ccccc3C)c3c2CCC3)cc1 920874970 IUCWCVCLAXVDEF-HTAPYJJXSA-N 440.547 5.144 30 20 IKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)C[C@@H]4C[C@@H]5CC[C@H]4C5)CCC3)cc2)cc1 1785882677 MIJHPJJZSLUNJH-VJBWXMMDSA-N 441.575 5.061 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4scnc4c3)cc2)CCC1 1789340806 HCHLWYQFWCHRJK-UHFFFAOYSA-N 431.561 5.238 30 20 IKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)no3)cc2)CCC1 1789782486 ZAYCDXWZFQURQN-QFIPXVFZSA-N 449.576 5.044 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cc(F)c(OCC)c(Cl)c3)cc2)CCC1 1790728047 QPBNXRUFEONNHI-UHFFFAOYSA-N 430.907 5.202 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)on3)CCC2)cc1 1791726684 FMSUCLBIXGMKEX-UHFFFAOYSA-N 441.531 5.283 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c2ccccc2n2ccsc12 1799130803 OJFWGCKGNOCFMA-YRPNKDGESA-N 447.604 5.174 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CCCCC2(F)F)n[nH]1 1815347477 YNWFXNQLECCYCD-WMZOPIPTSA-N 436.547 5.220 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](CCC)n2cccc2)n[nH]1 1818055897 XWWVIBNHIKOAGM-FGZHOGPDSA-N 437.588 5.013 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C3CC3)cc2)n[nH]1 1821303509 AKDUWMXWYFDRAK-JTHBVZDNSA-N 432.568 5.361 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CSc2c(C)cccc2C)[nH]n1 1821922223 GBHPRXGKWHLJLD-ICSRJNTNSA-N 440.613 5.023 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CC[C@H](CCC)CC2)n[nH]1 1822101467 RHTCHKKCBRXGHN-KCZVDYSFSA-N 426.605 5.202 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4sccc4s3)CC2)C1 1823700500 PGJJRURDAKCWQS-GOSISDBHSA-N 428.623 5.162 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)c(O)c(C)c2)CC1 1828829783 NUEIHJRRJAAEOL-BJKOFHAPSA-N 438.612 5.011 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2Cl)CC1 1829893834 FMYPCXVTIWVVCC-NZQKXSOJSA-N 429.004 5.342 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccoc23)CC1 1830986957 GNMSQISSNBMKLU-QHCPKHFHSA-N 436.596 5.659 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2ccc(Oc3ccccc3)cc2)C1 1845313097 SVTABVWGKKPMNZ-UHFFFAOYSA-N 432.564 5.288 30 20 IKED C=CCn1c(SCc2ncc(Cl)n2C)nc2sc(-c3ccccc3)c(C)c2c1=O 18960138 FCVRUZQMZJSBLH-UHFFFAOYSA-N 442.997 5.299 30 20 IKED C=CCn1c(SCc2csc(-c3ccc(OC)c(OC)c3)n2)nnc1-c1ccco1 29914317 VLQAIONYXKFQFP-UHFFFAOYSA-N 440.550 5.157 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(C(C)C)cc1)c1cccs1 60534847 LHBVXWVXNDBBMP-VWLOTQADSA-N 447.604 5.691 30 20 IKED N#CCCCOc1cccc(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)c1 61166156 QIOITZGHYBAZCQ-UHFFFAOYSA-N 446.359 5.981 30 20 IKED COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1OC 208895110 CNZRHZKPDBHTJG-VURMDHGXSA-N 444.459 5.019 30 20 IKED CC[C@H](C#N)Oc1cccc(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 236898703 TXUHJJAHYXZNSQ-HXUWFJFHSA-N 435.455 5.497 30 20 IKED Cc1c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cnn1-c1cccc(C(F)(F)F)c1 303356736 OXYKOMLNLZJADG-AWEZNQCLSA-N 444.482 5.846 30 20 IKED Cc1ccc(OC(F)F)c(CSCC(=O)Nc2ccccc2SC[C@H](C)C#N)c1 427696201 PGRNXEYPUBNYNE-OAHLLOKOSA-N 436.549 5.720 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c2cc(Br)ccc2n1 430599924 QXGLYYHPMZYOOU-OAHLLOKOSA-N 428.355 5.550 30 20 IKED Cc1ccc(C)c(NC(=O)Cc2nc(CN3CCC[C@H]3[C@H](C#N)c3ccccc3)cs2)c1 430710710 TYVSOBLKWNUFGE-VWNXMTODSA-N 444.604 5.213 30 20 IKED COCc1nc2cc(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)ccc2o1 431410868 UHQOKCLMNSVFMW-UHFFFAOYSA-N 428.448 5.591 30 20 IKED N#CCCC[C@@H](Nc1ncnc2ccc(I)cc12)c1ccccc1 431510076 FWXYGJQZLQYMAL-QGZVFWFLSA-N 428.277 5.081 30 20 IKED N#CCCn1cc(CN(Cc2ccccc2)Cc2ccccc2F)c(-c2ccncc2)n1 435139922 YJDJLLNNVVVXSK-UHFFFAOYSA-N 425.511 5.200 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 437982036 YIDXGUGDHNBXRE-HFJWLAOPSA-N 443.522 6.200 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC(Cc4ccccc4Cl)C3)c2)cc1 438626376 SGKOLZMANYMOAD-UHFFFAOYSA-N 445.950 5.691 30 20 IKED CCCC(=O)Nc1ccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 438662584 AJUIKHOLKYJUSG-UHFFFAOYSA-N 446.482 5.550 30 20 IKED COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2C#N)c(F)c1 439677118 WGQDCABFRXFJKL-DLBZAZTESA-N 433.483 5.176 30 20 IKED C=CCC[C@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ccc(C(F)(F)F)cc1 441568538 QNSGQZFLKAUXBZ-NRFANRHFSA-N 430.470 5.265 30 20 IKED N#Cc1cc(F)c(C(=O)Nc2cccc(CNC(=O)Nc3ccccc3Cl)c2)c(F)c1 446234833 GEXFQUPETKHZAB-UHFFFAOYSA-N 440.837 5.064 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)CCc2nc(-c3ccco3)no2)c1 460334332 XUQMZVIFOXWWLU-UHFFFAOYSA-N 432.867 5.021 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1c1ccc(COC)o1 460392973 HPUAYOOVANOSGU-UTKZUKDTSA-N 440.519 5.214 30 20 IKED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@H](C)c1sc(-c2ccccc2)nc1C 460790559 MNYGMKFDSKMZJR-ILZDJORESA-N 437.613 5.581 30 20 IKED N#CCSc1ccccc1NC(=O)CNc1ccc(Oc2ccccc2C#N)c(F)c1 463230038 GESJMKPRENARCU-UHFFFAOYSA-N 432.480 5.156 30 20 IKED CC(C)OC(=O)C[C@H]1CCCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C1 463920320 LHAUHANUAUSBPT-QGZVFWFLSA-N 440.927 5.198 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 464411382 ZQYHHLZMSOBAGK-QGZVFWFLSA-N 432.833 5.106 30 20 IKED COc1cc(-c2nnc(S[C@@H](C)CCC#N)n2C2CCCCC2)cc(OC)c1OC 470442076 JJFMYMCZKXNLMZ-HNNXBMFYSA-N 430.574 5.260 30 20 IKED Cc1ccc([C@H](NCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccn2)cc1 471063930 WPKBZAJUALEBNW-DFBJGRDBSA-N 430.577 5.102 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccc(Oc2c(OC)cccc2OC)nc1 471651538 DYBJRNQSUNVFBY-UHFFFAOYSA-N 447.535 5.179 30 20 IKED CN(Cc1nc(C(F)(F)F)cs1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 472700380 AXRQUHMDCWJPJA-UHFFFAOYSA-N 432.427 5.490 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 475570664 JSXPYSYJEWEZFS-FQEVSTJZSA-N 437.584 5.664 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc2sc(N3CCCC3)nc2s1 475757083 KNAWEKROQJWEQD-ZDUSSCGKSA-N 428.608 5.462 30 20 IKED CC(=O)Nc1sc(NCc2cn(CCC#N)nc2-c2ccccc2)nc1-c1ccccc1 478608741 PQXPCRSIFFIIKF-UHFFFAOYSA-N 442.548 5.158 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CSCc1nc(-c2c(F)cccc2F)cs1 478914884 ZKMQHSHJOSBKMI-UHFFFAOYSA-N 435.908 5.485 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@H]3CCCc4cc(Br)ccc43)ccc21 479453906 KLANNWRTYBYKRX-NRFANRHFSA-N 438.369 5.522 30 20 IKED N#Cc1ccc(CN(C(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)C2CC2)cc1 482406854 RSFJWDIOWXUHOI-GOSISDBHSA-N 439.384 5.137 30 20 IKED COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2sc(C)c(C)c2C#N)c1 483122664 PYGUDTNQQIPOOG-UHFFFAOYSA-N 442.544 5.409 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1nccc2ccccc12 483228564 CXAUJLHTZAWYED-HXUWFJFHSA-N 446.432 5.807 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 483377676 PGGIXCZOEAPWRS-UHFFFAOYSA-N 437.499 5.417 30 20 IKED C=CCSc1ccccc1C(=O)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn23)C1 486123486 DPCUSTZITLFZQT-HNNXBMFYSA-N 446.498 5.046 30 20 IKED C[C@@H]1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 489762392 NDKWAOPCWVEBKH-CZAAIQMYSA-N 431.458 5.222 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3[nH]c4ccc(F)cc4c3Cl)c2)c1 490433963 PCBNEQMTGAFXKY-UHFFFAOYSA-N 432.842 5.337 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)C2(Cc3ccc(F)cc3)CCOCC2)cc1 497654202 MECOQTPGXZFXSO-UHFFFAOYSA-N 428.507 5.020 30 20 IKED C[C@H]1CCCC[C@H]1OCC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 497783913 GSWNWUNQQPFYJJ-SCLBCKFNSA-N 437.487 5.158 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 500309923 WUQIWIOOTRDRQA-UHFFFAOYSA-N 449.535 6.214 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1ccc(-c2ncco2)cc1)c1ccc(C(F)(F)F)cc1 500583611 NZUBEBMSZGHJHR-IBGZPJMESA-N 443.425 5.123 30 20 IKED Cc1cc(NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)nn1CCC#N 504097357 LRYMAIRRXVCRQW-UHFFFAOYSA-N 445.954 5.333 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 504573148 RFVPASRTEMJFJY-UHFFFAOYSA-N 443.812 5.735 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 504934698 JFYZBTWWPIRNAY-DEOSSOPVSA-N 430.939 5.288 30 20 IKED C[C@@H](Sc1ccc(Br)cn1)C(=O)Nc1sc2c(c1C#N)CCCCC2 505640443 URLKPZIXEAINPY-LLVKDONJSA-N 436.400 5.165 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 507837649 OFSLNZHACGFEOM-HNNXBMFYSA-N 446.894 5.323 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 508589236 QVOSXDLZMOUHOH-UHFFFAOYSA-N 445.466 5.669 30 20 IKED CCN(C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C)[C@H](C)c1ccc(C#N)cc1 509577939 FAFUXAXHWADUML-OAHLLOKOSA-N 426.442 5.295 30 20 IKED Cc1cc([C@H](C)NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c(C)s1 510162549 XHEVSGYKENLVSM-LBPRGKRZSA-N 429.596 5.263 30 20 IKED CC(C)c1nccn1Cc1cccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1 517379514 FNITYKNIWSYPEQ-UHFFFAOYSA-N 440.503 5.351 30 20 IKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)NCCc1ccc(F)cc1 517460391 DURWABOUUZKQLX-AWEZNQCLSA-N 439.478 5.010 30 20 IKED C[C@H](CCc1ccc(Br)cc1)NC(=O)CCCCOc1cccc(C#N)c1 517652884 GQNMTYDHDRVPDO-QGZVFWFLSA-N 429.358 5.007 30 20 IKED CC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)c12 518209146 OHRKXGVUOYCJQH-MRXNPFEDSA-N 429.307 5.525 30 20 IKED C=CCN(CC(=O)Nc1c(C(C)C)cccc1C(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 518752496 QQVYISKHXKDOFH-FQEVSTJZSA-N 446.599 5.097 30 20 IKED Cc1ncc(-c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)o1 518799051 UKTROSQLRJUPPG-UHFFFAOYSA-N 425.513 6.066 30 20 IKED Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)CCCCOc1cccc(C#N)c1 518906860 YVDUCCOPNIPFTR-FQEVSTJZSA-N 433.552 5.069 30 20 IKED Cc1cc(C)n(Cc2cccc(-c3noc(/C=C\c4cn(CCC#N)c5ccccc45)n3)c2)n1 520302694 GMJAAWNZDVZOSP-QXMHVHEDSA-N 448.530 5.637 30 20 IKED CC1CCN([C@H](CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccc2)CC1 520936836 JSHYWLKFCPMKMG-NZQKXSOJSA-N 436.625 5.676 30 20 IKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 520938809 CYMAKRYVEIWYEU-INIZCTEOSA-N 428.517 6.185 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1cc(F)c(Cl)cc1Cl 521090306 GPHYUOVFRUSIKM-GFCCVEGCSA-N 430.266 5.682 30 20 IKED Cc1cc(Br)cc(Cl)c1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 521091607 UZPQYQURQILAPW-UHFFFAOYSA-N 442.700 5.722 30 20 IKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)cc1 521770300 MNILKYXRGGYNKN-HQNXYIODSA-N 437.628 5.310 30 20 IKED Cn1ccnc1SCc1cccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1 521886259 QBINUGWWVVFLHO-GOSISDBHSA-N 431.348 5.014 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2nc(-c3cccnc3)cs2)c1 523882710 WKLPMYYYOBXSRB-UHFFFAOYSA-N 432.892 5.775 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1 523942950 NMACNEXEYQMYLB-QHCPKHFHSA-N 436.870 5.357 30 20 IKED CCC(=O)c1ccc(OCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 524390965 MLDPTNQKYSGIMH-UHFFFAOYSA-N 448.906 5.401 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cnn(-c3ccccc3)c2)cc1 525001088 BAYYJKGFTBHFAN-UHFFFAOYSA-N 425.467 5.117 30 20 IKED COCCOCc1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F 525631176 WGGBWXAJPPRRSC-UHFFFAOYSA-N 439.327 5.279 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 535699006 GSWBVRXJGVHGSL-UHFFFAOYSA-N 436.217 5.475 30 20 IKED Cc1c(-c2ccccc2)sc(NC(=O)c2ccc(CC#N)cc2)c1C(=O)N1CCCCC1 536253034 NKVRKUXOWIMTDQ-UHFFFAOYSA-N 443.572 5.668 30 20 IKED CCN(C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)c1ccc(C#N)c(Cl)c1 539174043 XRJDOHYMHZKRER-UHFFFAOYSA-N 433.924 5.188 30 20 IKED CC(C)(C)c1cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c(C#N)s1 539174707 ICTJEGAKSCFECL-UHFFFAOYSA-N 432.958 5.351 30 20 IKED C[C@H](NC(=O)N[C@@H](c1ccccc1)c1cccnc1)c1ccc(-c2cccc(C#N)c2)cc1 541157737 OPMFGTIHVMVKOC-DCFHFQCYSA-N 432.527 5.770 30 20 IKED CCCc1c(NC(=O)c2ccc(COc3ccccc3C#N)o2)cnn1-c1ccccc1 542173696 GSUWMRYPJLTGOG-UHFFFAOYSA-N 426.476 5.121 30 20 IKED C[C@@H](NC(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccc(-c2cccc(C#N)c2)cc1 542929470 CAZJETCPAQTTNG-GOSISDBHSA-N 435.483 5.562 30 20 IKED N#CC1(c2ccc(C(=O)N[C@H](c3ccc(OC(F)(F)F)cc3)C(F)(F)F)cc2)CC1 543898361 XQZNVXYQPAKTOM-MRXNPFEDSA-N 428.332 5.174 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3Oc3ccncc3)n2)cc1 549413639 MNRHWGQSJZMAJF-HXUWFJFHSA-N 427.485 5.496 30 20 IKED CCN(Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1)C(C)C 554323919 YHCOIIVULSGOJP-JOCHJYFZSA-N 433.577 5.539 30 20 IKED CCC(C)(C)[C@H]1CCc2nc(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)sc2C1 554553403 FJBNCQBAGYMRIS-KRWDZBQOSA-N 437.613 5.168 30 20 IKED CC(C)(CCC#N)CNC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 562039671 DRUHFADWGRYYKL-UHFFFAOYSA-N 432.446 5.409 30 20 IKED COc1ccccc1[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1ccccc1 569753806 LXYIDPRKAYCZAS-XMMPIXPASA-N 435.531 5.215 30 20 IKED CC[C@H](NCc1nc(C#N)cs1)c1ccccc1OCc1ccccc1Br 577446183 QXSJGEHICWIVHO-IBGZPJMESA-N 442.382 5.597 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)CC2)c(F)c1 582622897 WGIIXSVGGCZITC-SJORKVTESA-N 433.310 5.178 30 20 IKED O=C(NCC1(c2ccccc2Cl)CCOCC1)Nc1cccc(C#Cc2ccccn2)c1 601186273 KFMZGSUMRITQAI-UHFFFAOYSA-N 445.950 5.005 30 20 IKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 601187334 LBRKUVAJGKBESP-UHFFFAOYSA-N 434.543 5.683 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3cc(C#N)cn3C(C)(C)C)cc(-c3cccs3)nc21 603935258 ZCRSRLWXCGLAAB-UHFFFAOYSA-N 432.553 5.421 30 20 IKED CCc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cnn1-c1cccc(Cl)c1 604241909 VYJJUWXAMORZBU-UHFFFAOYSA-N 443.894 5.399 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C)c(Oc4ccncc4)c3)n2)cc1 604690945 QSUHZGCCUIHJBE-NRFANRHFSA-N 425.513 6.104 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1Oc1ccncc1 604691306 YVWMPFDYIUNBKH-QGZVFWFLSA-N 447.466 6.074 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(Br)c(F)c1 609060833 OEPCGAWRYUVSDP-UHFFFAOYSA-N 439.284 5.600 30 20 IKED COc1ccc2c(ccn2CC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 609061245 XMDCSUOOOMZWKG-UHFFFAOYSA-N 425.488 5.048 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCc1ccc(F)c(Br)c1 609434660 HJZKDFMYJIGBCS-ZDUSSCGKSA-N 436.350 5.347 30 20 IKED N#CCCn1cc(CNCc2ccc(OCc3cccc(F)c3)cc2)c(-c2ccccc2)n1 609598467 LQHAKLONUIHHAG-UHFFFAOYSA-N 440.522 5.472 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3OC(F)(F)F)cn2)c1 610152200 UOZLFNFBENBYQI-MOPGFXCFSA-N 439.393 5.386 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1C(F)F 611252284 DHOXKFKVZYTUJT-SNVBAGLBSA-N 441.187 5.161 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(OCc2ccc(F)cc2)CC1 611261364 OIKHQWVVAUHNEC-KRWDZBQOSA-N 427.545 5.291 30 20 IKED COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1sc(-c2ccccc2)cc1C#N 614731590 DLMBFFYIRHQEQO-UHFFFAOYSA-N 434.517 5.296 30 20 IKED O=C(c1cccnc1Nc1ccccc1F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618365772 MZTWNHQFRHKERS-RYUDHWBXSA-N 435.343 5.167 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccc(Cl)cc1 642282306 BOJSMQFSXLLDIG-HNNXBMFYSA-N 425.826 5.069 30 20 IKED C[C@H](NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1cc(F)c(Cl)cc1Cl 674423013 ORDIFPPUXJJNLX-XVYDVKMFSA-N 441.174 5.576 30 20 IKED Cc1cc(F)ccc1-c1ccc(C(=O)N2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1F 674443267 AGIMKUDOACQUIH-IYBDPMFKSA-N 437.330 5.753 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2cccc3oc(C(F)(F)F)nc23)c1C(F)F 678017469 WJDDQNZNHINQBB-UHFFFAOYSA-N 442.266 5.272 30 20 IKED C=CCCC[C@H](C)NC(=O)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 678909047 CRCGACKNWGQFQP-XUZZJYLKSA-N 440.632 5.630 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cnc(Cc3ccc(F)cc3)s2)cc1 727233460 QKTSSGHYVAXFCX-HXUWFJFHSA-N 435.524 5.177 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728062473 OYWJOVXBWIFOPT-QGZVFWFLSA-N 449.938 5.628 30 20 IKED Cc1ccccc1COc1cccc(CC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c1 730416498 DRCUVSQECYWCAW-OAQYLSRUSA-N 430.504 5.742 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1 731645056 FNRFSYHHTLGPJI-GOSISDBHSA-N 434.323 5.013 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@H]2c2ccccc2Cl)ccc1OC 733656675 OIVKGQSJNIGSLR-PXNSSMCTSA-N 427.932 5.076 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H]2c2cccc(Br)c2)c1 733806442 ZKTYHJBHDIURIG-FPOVZHCZSA-N 442.357 5.177 30 20 IKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN(C)C2CCC(OC)CC2)c1=S 734476322 DREAGESWIRLYID-UHFFFAOYSA-N 428.646 5.411 30 20 IKED C[C@@H](OC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nnc(-c2ccccc2)o1 734586391 RMYHKNMKMYIZFW-QGZVFWFLSA-N 425.444 5.105 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)CCCc3ncc(-c4ccccc4)o3)c2)s1 739595663 MJXGOXJZEIQDRB-UHFFFAOYSA-N 427.529 5.581 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N(Cc3cccs3)C[C@H]3CCCO3)c2)s1 740483762 WEIUABKOOVBVMS-LJQANCHMSA-N 437.590 5.239 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(Br)cnc2Cl)cc1F 742961009 IRFGOKKAKVDAMX-UHFFFAOYSA-N 446.663 5.553 30 20 IKED C[C@H](Nc1ccc(N(C)Cc2ccccc2)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 743472032 IWUYTFSYLDBWEP-FQEVSTJZSA-N 430.527 5.209 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1Cl 745765589 IRTYNRBRGSMOIL-SFHVURJKSA-N 439.830 5.060 30 20 IKED COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OCCCC#N 747473158 VUBLURPHVKMHBI-UYRXBGFRSA-N 444.965 5.437 30 20 IKED Cc1nnc(SCc2c(C(=O)O[C@@H](C)c3ccc(C#N)cc3)oc3ccccc23)s1 748684894 MQKIHGGZDJBLDU-ZDUSSCGKSA-N 435.530 5.675 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 748984699 CBGLWAXPKHGEIA-UHFFFAOYSA-N 428.920 5.459 30 20 IKED CCn1nc(C)c(C(=O)/C=C/c2cccc(/C=C/C(=O)c3c(C)nn(CC)c3C)c2)c1C 750914568 XKYYLBJQSYXQBD-QUMQEAAQSA-N 430.552 5.145 30 20 IKED COc1ccc(-c2csc3ncnc(NN=Cc4cnc(-c5ccncc5)s4)c23)cc1 753162530 OUQJOIZRPPCJMD-UHFFFAOYSA-N 444.545 5.331 30 20 IKED Cc1c(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cccc1-c1ccccn1 755027385 QWCWCMCERNGCPX-KRWDZBQOSA-N 445.544 5.247 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc(OCc3cccnc3)cc2)c1 758474258 REKDRZJDKZRRLV-OAQYLSRUSA-N 428.536 5.025 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)CC(=O)c3ccc(Cl)cc3)n2)cc1 760202272 QDWGQFQRNOXKJE-LIRRHRJNSA-N 438.936 5.557 30 20 IKED N#C[C@H](C(=O)CCCc1cccc(Br)c1)c1nc(-c2ccncc2)cs1 761092607 XXYUDKZTQOUZSB-QGZVFWFLSA-N 426.339 5.167 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)c3cc(-c4cccs4)nc4ccccc34)CCO2)c1 762301564 AJRLYPIEJDDSJA-QHCPKHFHSA-N 425.513 5.049 30 20 IKED CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1noc(-c2cn(CCCC#N)c3ccccc23)n1 766891910 NLZIUGCMXSBHAR-LJQANCHMSA-N 437.544 5.607 30 20 IKED C=CC[C@@H]1N(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCCC1(C)C 767229738 UCBKKMPNPSVHBH-ODECOBMASA-N 448.679 5.323 30 20 IKED COc1cc(-c2nc(COC(=O)c3cn(CCCC#N)c4ccccc34)cs2)ccc1O 769541450 AYIWTUABGKNWEW-UHFFFAOYSA-N 447.516 5.140 30 20 IKED C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(-c2ccccc2Br)s1 772960015 PNQJUJPACVDWJV-OAHLLOKOSA-N 427.367 5.931 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)/C=C\c2ccccc2C#N)cs1 775084426 PPVJLJDLSBSYMV-LUAWRHEFSA-N 431.517 5.073 30 20 IKED CC1(C)C[C@H](N(Cc2ccccc2)C(=S)Nc2ccc(C#N)c(Cl)c2)C(C)(C)O1 776735552 ILUUDCWTVLZRHF-FQEVSTJZSA-N 428.001 5.757 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccccc1SCC#N 779138871 RBQDLQXCKALBDK-HXUWFJFHSA-N 437.565 5.457 30 20 IKED C=CCCN(OCc1ccccc1)C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 782778511 WUUOKTGVVLQPDL-WJOKGBTCSA-N 434.561 5.536 30 20 IKED COc1cc(/C=C/C(=O)c2cnn(C(C)(C)C)c2C)cc(Br)c1OC(F)F 787186090 FEBKLHHIMHKCGB-VOTSOKGWSA-N 443.288 5.215 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@@H](C#N)c1nccc2ccccc12 792102913 IQABYVNCPQTCKG-QRWLVFNGSA-N 447.947 6.041 30 20 IKED COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)OCCCC5(C#N)CCOCC5)(C4)C2)C3)cc1 800103802 RKADJEPHXZARJK-CUFNRJLSSA-N 437.580 5.177 30 20 IKED N#CC1(CCCOC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)CCOCC1 800154096 BCIZOORTBHHQFD-UHFFFAOYSA-N 439.364 5.303 30 20 IKED C=CCN(C(=O)COCc1ccccn1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 807961872 IYWMRDWIROXMNG-UHFFFAOYSA-N 441.556 5.608 30 20 IKED COc1ccc2c(c1F)C/C(=C/c1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)C2=O 809156642 MZSNTXKUZCXSGE-LCYFTJDESA-N 442.899 5.451 30 20 IKED C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 809911698 UNTRQPGBHZTGTC-HXUWFJFHSA-N 447.564 5.100 30 20 IKED N#C[C@H](C(=O)Cc1c[nH]c2cccc(Cl)c12)C(=O)Nc1ccccc1Oc1ccccc1 815908336 YVJGERCPXOLUPN-GOSISDBHSA-N 443.890 5.504 30 20 IKED N#C[C@@H](C(=O)c1ccc2c(c1)-c1ccccc1C2)c1nc(O)c2c3c(sc2n1)CCCC3 916846920 HXHABJGXWXHMJI-FQEVSTJZSA-N 437.524 5.337 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1nc2ccccc2n1C(F)F 917041607 VOXVJACPWYZLBV-HNNXBMFYSA-N 442.878 5.627 30 20 IKED N#C[C@@H](C(=O)CCCOc1ccccc1Br)c1nc2cc(Cl)ccc2s1 917046958 YIVZBYDZVKXEDC-ZDUSSCGKSA-N 449.757 5.748 30 20 IKED CCCCCOc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1 917560472 ZTVZUYJFOCXIBB-LFIBNONCSA-N 448.588 6.601 30 20 IKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2ccccc2c1 917702937 XJGBEFLDIZLSMQ-OAQYLSRUSA-N 433.508 5.125 30 20 IKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2cccc(Cl)c2)s1 920171371 UXEWZDSUNOGLNM-UGSOOPFHSA-N 448.013 5.071 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ncccc3C(F)(F)F)cc2)CCC1 1789856264 WENLKKDEEDZZJY-HNNXBMFYSA-N 431.458 5.060 30 20 IKED Cc1ncccc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792122409 LSEUCYIUNISXRD-SFHVURJKSA-N 438.531 5.079 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCSCc1ccc(C)cc1 1802131212 RDHGMXZZTNNTGH-NUNAXRQHSA-N 442.669 5.249 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)CCCCC)[C@@H]1c1cccnc1 1802500852 DDEGNKJQJOSLNU-ACIOBRDBSA-N 427.633 5.296 30 20 IKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1 1813227549 GLEMESJGFOKVGE-JYFHCDHNSA-N 439.644 5.278 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c(C(C)(C)C)c2)n[nH]1 1816109923 BVDPPFRDOLSYFM-UYAOXDASSA-N 437.588 5.110 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3cc[nH]c3c2)n[nH]1 1818487264 AWBKHJFDFYSFEF-NRFANRHFSA-N 433.556 5.189 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)[nH]n1 1819307337 SAARXDODRWBCLU-GCJKJVERSA-N 449.530 5.104 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC)c(F)c2)CC1 1823918448 LTWNASJXKLYTJE-JOCHJYFZSA-N 444.591 5.060 30 20 IKED Cc1cc(C)cc(N/C(S)=C(\C(=O)c2cc(C)ccc2C)[n+]2ccc(C(C)(C)C)cc2)c1 10172601 SGYCXBJOXGFQOV-UHFFFAOYSA-O 445.652 6.556 30 20 IKED Cc1nc(C)c(-c2nnc(S[C@H](C)C(=O)/C=C3/N(C)c4ccccc4C3(C)C)o2)s1 25588448 OCRWVXNVDKWNHB-VBEHJTROSA-N 440.594 5.171 30 20 IKED Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3ccc(CC#N)cc3)c2c1C 28438123 SSGZBZXERKDPHV-UHFFFAOYSA-N 430.558 5.778 30 20 IKED C=CCn1c(SCc2cc(=O)oc3cc(CC)c(Cl)cc23)nnc1-c1ccoc1C 36812564 YFTTURCFAJJAAK-UHFFFAOYSA-N 441.940 5.647 30 20 IKED Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)n1 60330899 HJTLDSHICMOKBQ-QGZVFWFLSA-N 434.590 5.377 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2ccccn2)ccc1OCc1ccc(Cl)cc1Cl 60477072 WUHMSZUHCWMLDH-QGZVFWFLSA-N 427.287 5.466 30 20 IKED N#Cc1ccnc(SCC(=O)N(Cc2ccc(F)cc2)C23CC4CC(CC(C4)C2)C3)c1 71918237 FFKLAIQEFQWTPA-UHFFFAOYSA-N 435.568 5.182 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)nnc1-c1ccccc1F 218660291 NDTINSOWKKXXED-DLBZAZTESA-N 436.556 5.119 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 303363926 QSLVKGWLFUKIPN-MRXNPFEDSA-N 432.505 5.985 30 20 IKED Cc1cc(OCc2ccccc2)ccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 303654978 FYCLLOCBTAXHFU-UHFFFAOYSA-N 441.531 5.240 30 20 IKED C[C@H](NC(=O)C1(c2cncc(Br)c2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 409908373 HPJKKEHBAHUSCO-INIZCTEOSA-N 446.348 5.292 30 20 IKED CN1CC[C@H](CNC(=O)N[C@@H](CCCC#N)c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 431467630 ZNSAXJIDMVFQFA-OIBXWCBGSA-N 442.966 5.206 30 20 IKED C=C(C)COc1cc(CN2CCC(c3nc(-c4ccccc4OC)no3)CC2)ccc1OC 433024834 ZDKRPTILSSLXDZ-UHFFFAOYSA-N 449.551 5.088 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC(F)(c4ccccc4)CC3)c2)c1 433263401 VHTOVVHVNWSQGI-UHFFFAOYSA-N 442.494 5.303 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C)c1ccccc1 435740322 JVJPIYFTJUDINJ-QHCPKHFHSA-N 441.531 5.010 30 20 IKED C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 438548700 WXOJXGUYYLEWJP-HNNXBMFYSA-N 440.425 5.989 30 20 IKED N#CCC[C@H](NC(=O)Cc1csc(-c2cccc(Br)c2)n1)c1ccccc1 439669243 DATKCBYAAGFPSY-IBGZPJMESA-N 440.366 5.276 30 20 IKED C=CCN(C(=O)[C@H]1C[C@H]1c1sccc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 439854314 JHTUQDRHCLHQCZ-SJORKVTESA-N 425.535 5.411 30 20 IKED CCOc1ccc([C@@H](NCC(=O)Nc2ccc(CC#N)cc2)c2cccc(Cl)c2)cc1 443456325 UHTCWMPNWSKDPY-RUZDIDTESA-N 433.939 5.122 30 20 IKED N#Cc1c(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])sc2c1-c1ccccc1CC2 443877793 MPECPYWISLXMMG-UHFFFAOYSA-N 443.406 5.565 30 20 IKED Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 443885420 ZRWFAIIOTKLISH-UHFFFAOYSA-N 432.427 5.122 30 20 IKED COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(F)cc(C(F)(F)F)c1 445664849 NHEPFHCWFYHEII-UHFFFAOYSA-N 425.300 5.141 30 20 IKED Cc1ccc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(OC[C@@H]2CCOC2)c1 447054973 CKVAJYSHBAVTNL-RBUKOAKNSA-N 439.581 5.126 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(C3(c4ccccc4)CCC3)no2)CC1 460140180 RKTARQQZYUESBF-UHFFFAOYSA-N 441.491 5.043 30 20 IKED C[C@@H](C(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F)c1cccc(C#N)c1 463582384 IYJYUZQDQBQMGS-CYBMUJFWSA-N 427.382 5.165 30 20 IKED N#CCCCOc1cccnc1NC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 466621208 YTSOECODURDKBA-NRFANRHFSA-N 439.519 5.199 30 20 IKED Cc1c(C(=O)Nc2cc(F)c(OC(F)F)cc2F)cnn1-c1cccc(C(F)(F)F)c1 468222107 SOPRYWBLXBMDIG-UHFFFAOYSA-N 447.310 5.331 30 20 IKED CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 470493966 YMTCNIWGMXPEIR-RYUDHWBXSA-N 434.327 5.264 30 20 IKED C[C@@H](NC(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc(C#N)cc1 473480846 PAIDGHQMQVZASX-ZHRRBRCNSA-N 449.352 5.060 30 20 IKED Cc1nc2ccc(Br)cn2c1C(=O)Nc1ccccc1S[C@@H](C)CC#N 475776495 WEXZIYPFXRLQKV-LBPRGKRZSA-N 429.343 5.052 30 20 IKED CN(Cc1nc2c(s1)CCCC2)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 475801287 OYLOJPQDFMSTFZ-UHFFFAOYSA-N 436.512 5.489 30 20 IKED CC(C)(C#N)CCCOc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 476453707 ALCHIGRFNLIQMP-UHFFFAOYSA-N 436.295 5.863 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Cl)c(Br)c1 477135600 RFDMCBSQOLQPJL-UHFFFAOYSA-N 425.758 5.490 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)c3cc(Br)ccc3Br)CC2)cc1 477624624 HEVLTEOTSMHEAC-UHFFFAOYSA-N 446.142 5.013 30 20 IKED COc1cccc(NC2CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)CC2)c1 479583818 NDFMJLZOZLIBDP-UHFFFAOYSA-N 443.572 5.435 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NCCc3nc(-c4ccncc4)cs3)cc2)cc1 479651630 LDZJAJNDQNEUDV-UHFFFAOYSA-N 440.528 5.036 30 20 IKED C[C@H](CC#N)N(C)C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482343287 HGAYNMNLJUMGOO-PELKAZGASA-N 435.290 5.271 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 486739178 SGKZVRYQXVACPC-UHFFFAOYSA-N 425.366 5.082 30 20 IKED C=CCn1c(SCC(=O)N2CCCC[C@@H]2C=C)nnc1-c1ccc(Cl)cc1Cl 488841298 PXFJYGZKJJNOLF-HNNXBMFYSA-N 437.396 5.097 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc3ncccc23)nnc1-c1ccc(C)cc1 489618674 OFBJHNISXWCELY-KRWDZBQOSA-N 429.549 5.107 30 20 IKED C=C[C@H]1CCCCN1C(=O)NC[C@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 491833837 XCJNQONMZHQZSX-PGRDOPGGSA-N 433.552 5.067 30 20 IKED CCN(C(=O)CCCCOc1cccc(C#N)c1)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 496566171 BKKRGUTURYWPGA-AREMUKBSSA-N 449.501 5.419 30 20 IKED Cc1csc(N(CC(F)(F)F)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 498096488 XWJWZGMYQNEHEY-UHFFFAOYSA-N 436.299 5.698 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cccc([C@@H]4CCCOC4)c3)c2)cc1 499479597 RKTWGOUHSPARJO-XMMPIXPASA-N 426.516 5.478 30 20 IKED C=CCN(Cc1cccs1)C(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 501850513 LFWLGSCSTTXUJE-QFIPXVFZSA-N 434.540 5.376 30 20 IKED COc1ccc(CC[C@@H]2CCCCN2C(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC 503525381 DKDYSPGWXIYEEQ-IBGZPJMESA-N 427.932 5.248 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3ccc(CSc4ccccc4)cc3)CC2)cc1 504740926 ISCGZAAPORBEER-UHFFFAOYSA-N 428.557 5.534 30 20 IKED N#C[C@H](NC(=O)c1oc2ccccc2c1CSc1ncccn1)c1ccccc1Cl 505631438 IDBUUGJITCDJRX-SFHVURJKSA-N 434.908 5.163 30 20 IKED CN(CCCOc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510053901 HJDFNWIFGNYPPV-HSZRJFAPSA-N 433.939 5.928 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccc(Br)s2)cc1 510656806 IAGQPKPWASXPCS-UHFFFAOYSA-N 428.311 5.496 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCc2c(cnn2-c2ccccc2)C1 510871789 IEMRGDWDZVRHKU-UHFFFAOYSA-N 449.514 5.435 30 20 IKED CCOC(=O)c1ccc(C#N)c(SCc2csc(Cc3ccc(Cl)cc3)n2)n1 511650390 QXZZPUGYUTVQPJ-UHFFFAOYSA-N 429.954 5.123 30 20 IKED CCOC(=O)C1CCC(N(CC)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 511962587 YFHCTPNNPVIXKQ-UHFFFAOYSA-N 434.536 5.129 30 20 IKED CN1CCC[C@@H](CNC(=O)c2cc(C#N)ccc2Cl)[C@H]1c1ccc(C(F)(F)F)cc1 512744888 SUQLBKVAIGDZRQ-OXJNMPFZSA-N 435.877 5.043 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)C1CCC(OC(F)F)CC1 513317854 PLJVGNPKKPZRKB-UHFFFAOYSA-N 433.389 5.799 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1 513492402 LOAVZXKQKXTPNH-UHFFFAOYSA-N 447.494 5.642 30 20 IKED Cc1ccc(-c2nc(CC(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cs2)o1 514421734 MQSIIZSYUZTPQY-UHFFFAOYSA-N 430.489 5.260 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1Br 517461818 QFHTZGBUQHBPNJ-UHFFFAOYSA-N 429.261 5.726 30 20 IKED CC(C)CC[C@@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccc(Cl)cc1 517466149 VEKBLUDVXLAGRG-LJQANCHMSA-N 444.000 5.578 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](CC1CCCCC1)c1ccccc1 517468233 JLXDUJSUQWIRHQ-WMZHIEFXSA-N 449.620 5.705 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(CO[C@H]2CCC[C@H](C)C2)c1 519878374 KUEOHYWKYHWKTB-CPJSRVTESA-N 447.579 5.031 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](CC(F)(F)F)c3ccccc3)cc2)cc1 519989133 CJPBYLQTQVGEAE-OAQYLSRUSA-N 425.410 6.166 30 20 IKED CCN(Cc1ccc(Cl)s1)C(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 520471595 ULENWQLGPZFOIS-UHFFFAOYSA-N 426.973 5.458 30 20 IKED C=CCOc1ccc(C(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc2C)cc1OC 520480072 NWOSEKBVQUUUIO-UHFFFAOYSA-N 431.492 5.465 30 20 IKED CCOc1ccc([C@H](C)NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1OC 521088502 XTFYSQUSNBMQEC-SFHVURJKSA-N 430.504 5.443 30 20 IKED CCCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H]1CCc2ccccc21 521840683 GNCXRLHARHYQMK-MHZLTWQESA-N 439.559 6.263 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C)cc1 522244694 HCYJYDYRFZWBEO-UHFFFAOYSA-N 438.487 5.414 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC1(c2ccc(Br)cc2)CC1 524566098 MKOBOWVCVBAANC-AWEZNQCLSA-N 430.371 5.512 30 20 IKED Cc1ccccc1[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCO1 525226252 JGTXQRHOJKWVHB-NOZRDPDXSA-N 445.950 5.909 30 20 IKED Cc1nc(NC(=O)Cn2c(C3CCCCC3)nc3ccccc32)sc1SCC#N 536428657 ZCTBCFQZSRFINL-UHFFFAOYSA-N 425.583 5.103 30 20 IKED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 537951249 FMMQQWXTSQWWGN-CJFMBICVSA-N 439.625 5.383 30 20 IKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 543278079 SNOGHHBEBYKOGW-UHFFFAOYSA-N 439.519 5.707 30 20 IKED Cc1c(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)sc2nc(C(F)(F)F)ccc12 543856960 RCDUACNXRKBRRU-UHFFFAOYSA-N 445.401 5.072 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2ccc(Br)c(OC(F)(F)F)c2)n1 549162861 YGHRDXBYGNCSHE-SNVBAGLBSA-N 433.249 5.418 30 20 IKED CC(C)Cn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N1CCC(CC#N)CC1 549818685 HSRCYZJGUKDQGU-UHFFFAOYSA-N 440.551 5.539 30 20 IKED CC1(C(=O)Nc2cccc(C(F)F)c2Cl)CCN(c2ccc(Cl)cc2C#N)CC1 553126191 CQRAFSPAWBOWLS-UHFFFAOYSA-N 438.305 6.048 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccccc1Oc1ccc(OCC)cc1 554346264 XRZKFTJERXVGFF-UHFFFAOYSA-N 436.508 5.573 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 557610900 IHUCJTWODVOZPB-UHFFFAOYSA-N 442.648 5.014 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@@](F)(c3ccccc3F)C2)cc1 558774237 KUUFKKMPUKVAAV-SANMLTNESA-N 447.485 5.573 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1 560811590 LPSDTKYEXLZHQQ-OAQYLSRUSA-N 430.470 5.404 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@H]2CCO[C@H]2c2ccccc2)c1 563656491 LRDTVPOTJIQOKV-DVECYGJZSA-N 432.907 5.512 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@H]3CCc4cccc(Br)c4C3)ccc21 570944464 CAAAFCZAJSUQLW-IBGZPJMESA-N 438.369 5.001 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC(C(F)(F)F)(C(F)(F)F)C3)cc2)ccn1 574324806 WEFLATAUAJQOSG-UHFFFAOYSA-N 444.335 5.094 30 20 IKED C=CCn1c(SCC(=O)N2CCC(C)(C)CC2)nnc1-c1ccc(Cl)cc1Cl 588886022 HUSDLOCAGLVINP-UHFFFAOYSA-N 439.412 5.179 30 20 IKED N#CC[C@H](Cc1nc(Cc2nc3cc(C(F)(F)F)ccc3s2)no1)c1ccccc1 589084693 VRJORTDSWIUIGT-CQSZACIVSA-N 428.439 5.529 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC(OCc4ccccc4F)CC3)cc2)ccn1 589365807 XCEISMYELKOYSW-UHFFFAOYSA-N 446.482 5.098 30 20 IKED C[C@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)c1ccccc1 602131658 UGTYKZGVQCHCSH-QGZVFWFLSA-N 432.907 5.638 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1nc(-c2ccc(Cl)cc2)cs1 603836680 ZJINFTMSLDCKGK-QGZVFWFLSA-N 449.879 5.047 30 20 IKED CC(C)c1cccc(O[C@@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 604003701 UECJLVPQIMMLCL-FQEVSTJZSA-N 428.532 5.861 30 20 IKED CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604117904 GCVPLKFYMJYAPV-HXUWFJFHSA-N 425.916 5.124 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC3(c4ccc(Cl)cc4)CCOCC3)cn2)cc1 609322724 JCUZCFOVUJVEFH-UHFFFAOYSA-N 448.910 5.226 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(Sc4ccccc4)c3)CC2)cc1 609398178 HAVNHJVVJAXONH-UHFFFAOYSA-N 429.545 5.785 30 20 IKED C[C@@H](c1ccccc1)N1CCC(NC(=O)c2ccccc2Sc2ccccc2C#N)CC1 609696216 OTJGFJXDZNLWNP-FQEVSTJZSA-N 441.600 5.665 30 20 IKED CC(C)NC(=O)Nc1ccccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 609730160 PSZDCHFAXKZBTK-UHFFFAOYSA-N 448.910 5.786 30 20 IKED Cc1nc(SCC(=O)Nc2cc(F)ccc2SCC(F)F)c(C#N)c(C)c1C 609978902 SENPHYPVBLINJM-UHFFFAOYSA-N 425.501 5.106 30 20 IKED C[C@@H](NC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1)c1cccc(C#N)c1 610317955 KZFJHXSVPOWQPR-CYBMUJFWSA-N 441.354 5.251 30 20 IKED CN(Cc1nc2ccccc2n1C)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 611185964 LYSCQPZSTGATNU-UHFFFAOYSA-N 430.895 5.163 30 20 IKED COC(=O)c1ccccc1-c1ccccc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 618561441 KLXUQHJSJBGPHU-IBGZPJMESA-N 430.460 5.379 30 20 IKED C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 670203600 DEWCMNGDNAHHST-CVDCTZTESA-N 441.535 5.056 30 20 IKED COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccccc3)c2)cc1NC(C)=O 726429045 RPBREOHWKDQONT-FMIVXFBMSA-N 431.488 5.137 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccccc3C(F)(F)F)n2)cc1 727232898 ALUWFBGTHMQJGV-GDBMZVCRSA-N 430.451 5.781 30 20 IKED N#Cc1cccc(COc2ccc(NC(=S)Nc3ccc(OC(F)F)cc3)cc2)c1 727980425 KSEXKUMQHGMRAR-UHFFFAOYSA-N 425.460 5.548 30 20 IKED C#CCOc1ccc(NC(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)cc1 730982840 OXJJGBFDFUASFM-OAHLLOKOSA-N 426.925 5.267 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1Oc1cccnc1 731079329 UQAAEURJHZWFHB-QGZVFWFLSA-N 447.516 5.064 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 731400061 KRDUNQSSEHAHKX-QGZVFWFLSA-N 446.617 5.430 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 732537801 AZGQBYMHEWPURH-CLJLJLNGSA-N 447.538 5.505 30 20 IKED C#CCN(C(=S)Nc1ccc(C(C)C)cc1)[C@H]1CCOc2ccc(Br)cc21 733086536 KPARLWROIVJYGZ-FQEVSTJZSA-N 443.410 5.728 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)ccc1OC 733615186 AYIFAIMSFGTJTM-JOCHJYFZSA-N 443.507 6.113 30 20 IKED N#CCOc1ccc(Cl)cc1CSCC(=O)Nc1ccccc1Oc1ccccc1 735317967 HTRIQTFPZMLZGM-UHFFFAOYSA-N 438.936 5.907 30 20 IKED CC[C@@H](Cc1cccc(Br)c1)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 735400880 YRYPADTXQRTYJQ-XJKSGUPXSA-N 431.330 5.643 30 20 IKED C[C@@H](OC(=O)/C=C/c1ccnc2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCCC2 735554297 KQKVIOIVPMFDAV-LPQFERQCSA-N 445.544 5.020 30 20 IKED CCOc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3ccccc3OC)cc2)cc1 741462449 PIKNQBVTQCZGMT-UHFFFAOYSA-N 430.533 5.190 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](COCc3ccccc3)C2)cc1 743093311 RHUVENFEDFIJGQ-GJZUVCINSA-N 425.532 5.413 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 743238473 QRCJNWQUMNLQKC-UHFFFAOYSA-N 434.427 5.702 30 20 IKED FC(F)(F)c1cccc(Oc2cccc(C=Nn3c(S)nnc3[C@@H]3CCCCO3)c2)c1 743452145 RJLVPUOBVKIYCM-SFHVURJKSA-N 448.470 5.502 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2ccc(-c3ccccc3OC)cc2)c1 743610753 JCACCVWOCQBKFM-CVDCTZTESA-N 443.547 5.604 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1C(F)(F)F 744024929 FELDITBVXGIHMS-IAQYHMDHSA-N 442.409 5.471 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)[C@@H](Oc3ccc(Cl)cc3)c3ccccc3)o2)c1 744879421 BFNGQOLZBBRSCR-QFIPXVFZSA-N 445.862 5.125 30 20 IKED N#C[C@H](C(=O)CCCc1ccc(Br)s1)C(=O)Nc1cccc2ccccc12 747109300 OMYZCNOLFQKSPQ-QGZVFWFLSA-N 441.350 5.334 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)n1 747193565 JXZNNWMAWCPVGA-CXAGYDPISA-N 436.364 5.054 30 20 IKED C[C@H](OC(=O)Cc1ccc(OCC#N)cc1)c1ncc(-c2ccc(Cl)cc2Cl)o1 753368381 NJLDEVAOZLFTME-ZDUSSCGKSA-N 431.275 5.398 30 20 IKED O=C1CSc2sc(C(=O)/C=C/c3csc(COc4ccc(Cl)cc4)n3)cc2N1 758023878 ABAJIYQUUUZZLL-ZZXKWVIFSA-N 448.978 5.377 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\Oc3cc(F)cc(F)c3C2=O)cs1 758029054 JAAUWJWGKQAAID-IUXPMGMMSA-N 432.835 5.376 30 20 IKED N#Cc1cccc(COc2ccc(NCc3nnc(-c4cccc(C#N)c4)o3)cc2Cl)c1 760454134 FGYGCZCRTUVBPH-UHFFFAOYSA-N 441.878 5.324 30 20 IKED C[C@@H](OC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)C(=O)Nc1ccccc1C#N 761487675 KVXPGOYEEYPIIT-OAHLLOKOSA-N 445.862 5.060 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)c3cc(-c4ccccc4)nc4cc(F)ccc34)CCO2)c1 762313094 QVMGSXZCOWMLCD-AREMUKBSSA-N 437.474 5.126 30 20 IKED COc1ccc(-c2cncc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c2)cc1 764749974 DRGMGUPUKSHFTA-UHFFFAOYSA-N 443.290 5.085 30 20 IKED Cc1ccc(-c2cnc(CCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)o2)cc1 764752036 SPTTYPQHUCTJFY-UHFFFAOYSA-N 445.306 5.297 30 20 IKED C[C@H](Cc1ccc(Br)cc1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 765915623 LYVGIBPUNYZFAT-DOMZBBRYSA-N 432.268 5.249 30 20 IKED C=CCOc1c(Br)cc(C=Nn2c(CC)nc3ccccc32)cc1OCC 767375002 ZHFYJIHQPAWSFP-UHFFFAOYSA-N 428.330 5.207 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1=S 767504184 DXGJXOBANGOSKI-QGZVFWFLSA-N 445.514 5.128 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CC[C@H](c3c(F)cccc3F)C2)c1=S 768912867 ZVIBXMOOIFLPLW-INIZCTEOSA-N 442.535 5.001 30 20 IKED COc1ccc(-c2cc3nc(/C(Cl)=C/c4ccc(F)c(C#N)c4)[nH]c(=O)c3s2)cc1 770571366 RGXOOAAWOHVCRQ-SXGWCWSVSA-N 437.883 5.408 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2C[C@@H](c3ccccc3)c3ccccc32)ccc1OC 770610458 DRJOACRLTBLTOM-GGAORHGYSA-N 441.531 5.238 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)cc1 772308700 GPAFGTKGFPFQGB-WIYYLYMNSA-N 449.551 5.177 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cccc(-c2ccccc2OCC)c1 772647424 YGLVXJZCYXGFME-OAQYLSRUSA-N 428.488 5.112 30 20 IKED C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 777115762 BDSVCXJYDPECQV-INIZCTEOSA-N 448.548 5.329 30 20 IKED C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@H]1C(=O)[C@@H](C#N)c1nc2ccccc2s1 780301203 HISOKLZHPJOHPN-VBSBHUPXSA-N 443.572 5.257 30 20 IKED O=C(c1ccc(OC(F)(F)Cl)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 782767866 XUKDZCNMEUCACD-AOOOYVTPSA-N 425.703 5.057 30 20 IKED Cc1ccc2cc(C=Nn3c(S)nnc3COc3c(Cl)cccc3Cl)ccc2n1 783514674 RNHPBURRFGJYLQ-UHFFFAOYSA-N 444.347 5.191 30 20 IKED C[C@@H](Oc1ccc(C(=O)[C@@H](C#N)C(=O)NCc2cccc(Cl)c2)cc1)c1ccccc1 788378618 JDJNWBIRHPCWTA-UZUQRXQVSA-N 432.907 5.119 30 20 IKED CC(C)(C)C(=O)NC1CCC(C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)CC1 789205359 ZGRZIPIUBLIORE-UHFFFAOYSA-N 446.591 5.151 30 20 IKED C=CC[C@@]1(C(=O)Nc2ccccc2CCC(F)(F)F)CCCN1C(=O)OC(C)(C)C 792539662 ULLNRNQMYATMDJ-NRFANRHFSA-N 426.479 5.466 30 20 IKED C[C@@H](OC(=O)C[C@H](CC#N)c1ccccc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 795994327 XJLCGWXKFGAZLE-HIFRSBDPSA-N 438.833 5.317 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(-c2cccc3cccnc23)cc1 796796473 FBRQZUVQGKFXIM-RUZDIDTESA-N 441.490 6.016 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(C(F)(F)F)cc1 798817171 UZWZCGHDUDZYKQ-QMTHXVAHSA-N 429.225 5.463 30 20 IKED C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(c2nc3ccccc3s2)CC1 800778821 GFIYAMKHSFBGQO-UHFFFAOYSA-N 436.972 5.173 30 20 IKED C#CC[C@@H](Cc1ccccc1)NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 803522352 CSNQYBAQFCTEKM-IBGZPJMESA-N 428.479 5.122 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1 806264834 HYMRBUCDHQNKTP-RDPSFJRHSA-N 445.588 5.849 30 20 IKED CCOc1ccc(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OCC 915351436 BUUSJTHMCWGAGJ-DEOSSOPVSA-N 443.547 5.504 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(C(C)C)cc2)n1 916925584 OZNWVCVBPXMHEF-GOSISDBHSA-N 433.533 5.293 30 20 IKED N#C[C@@H](C(=O)CCSc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995749 HBOHOXCKFKQVAP-INIZCTEOSA-N 433.385 6.476 30 20 IKED N#C[C@H](C(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1nc2cc(Cl)ccc2s1 917047241 UPSCEHZSWXTZLJ-LJQANCHMSA-N 446.915 5.436 30 20 IKED CCSCc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 918487888 REXGSYAUXWQMSM-OAQYLSRUSA-N 430.529 5.693 30 20 IKED C[C@H](c1ccc2ccccc2c1)N(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)C1CC1 920415240 ZXHYRZDZRHPNLG-HOYKHHGWSA-N 432.527 5.602 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1csc(-c2ccc(Cl)cc2)n1 927535560 BZOPVJVODPULQP-CQSZACIVSA-N 446.981 5.285 30 20 IKED CCCN(Cc1nc(O)c2sccc2n1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 1339345106 GUGRFQPEGSXIHU-UHFFFAOYSA-N 443.532 5.065 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc[nH]c4nccc3-4)CCC2)cc1 1785842151 QXRMRHVOPMSBHO-UHFFFAOYSA-N 430.552 5.255 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@@H]3OCCc4ccccc43)cc2)CCC1 1786314328 PZTDEUQXYNPAMX-CYFREDJKSA-N 432.564 5.037 30 20 IKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)C3CC4(CCC4)C3)CCC2)cc1 1788648330 BAOPSOAGSBIDFY-MDZDMXLPSA-N 448.588 5.201 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccc(Cl)cc4nn3)CCC2)cc1 1791247659 DTWLTYVJSRNLDR-INIZCTEOSA-N 448.954 5.243 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)/C(C)=C/c3cccnc3)cc2)CCC1 1791853213 YYTUOURHROCGOL-BKWQBPKISA-N 429.564 5.387 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)Cc3c[nH]c4ccc(C)cc34)C2)CC1 1806890906 IGDFIRWRLMCKHA-QHCPKHFHSA-N 447.623 5.018 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(CCC)cc2)[C@H]1c1cccnc1 1810174495 NZZKPSHAUZLEEC-CYXNTTPDSA-N 445.607 5.122 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2c(C)cc(C)cc2C)[C@H]1c1cccnc1 1813783266 GQKUAAMKBOIBBS-AOYPEHQESA-N 445.607 5.095 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(C)cccc3[nH]2)n[nH]1 1819053070 XXCWZQQRZAYVLX-HSZRJFAPSA-N 445.567 5.274 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3ccoc3c1)CC2 1820101024 UMRSJHSJEJYFLG-QGZVFWFLSA-N 437.565 5.108 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)cc(F)c2F)n[nH]1 1821331473 FKQPKFWIUXTMDX-UZLBHIALSA-N 442.510 5.071 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3nc(C)ccc3o2)CC1 1827278321 FLAQQCRNLOEEKK-GGAORHGYSA-N 449.595 5.138 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)c(F)c2F)CC1 1828830433 VLWQIIANYVFWRM-IFMALSPDSA-N 444.566 5.275 30 20 IKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 1831851733 UQMOZZLIJMIPMC-KRWDZBQOSA-N 441.424 5.092 30 20 IKED N#CCSc1ccccc1C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 22991109 SLCKOOUEUWAHIW-UHFFFAOYSA-N 438.556 5.144 30 20 IKED CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H]1c1ccccc1OC 25440106 MXMWCOXLWTWHDJ-RDGATRHJSA-N 447.579 5.215 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1OC 33242474 ZVGRAQAKIMNZGK-DEOSSOPVSA-N 442.515 5.132 30 20 IKED N#CCCCSc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1 36209226 MWIPDCNXTHDUQM-UHFFFAOYSA-N 437.619 5.624 30 20 IKED N#Cc1c(NC(=O)CSc2ncnc3sc4c(c23)CCC4)sc2c1CCCCC2 36676699 NLVJMICHEDXIRZ-UHFFFAOYSA-N 440.619 5.113 30 20 IKED Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)N(C)Cc2ccc(C#N)cc2)n1 58551147 MRJQYACUBLQJIE-UHFFFAOYSA-N 427.430 5.044 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 62905197 JHEMHNHZRWPIMK-UHFFFAOYSA-N 438.556 5.327 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Cn3cccn3)cc2)cc1Cl 107875664 YBZJKQWIZBXBDB-HSZRJFAPSA-N 426.907 5.493 30 20 IKED N#Cc1nc(Sc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)ccc1Cl 301705325 IBHFHUNCERBHCI-UHFFFAOYSA-N 428.304 5.311 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1 303359030 GUWMFKNYKTVPBW-UHFFFAOYSA-N 433.467 5.311 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1ccco1)Cc1cccs1 303406295 SLMKZSUFXUVDPZ-QGZVFWFLSA-N 425.579 5.376 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)c2)cc1 303615685 MFOQOZXVSNOOOD-UHFFFAOYSA-N 437.455 5.235 30 20 IKED CCN(C(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C)[C@H](C)c1ccc(C#N)cc1 303653002 URJBJGZEJKKNGP-OAHLLOKOSA-N 428.458 5.731 30 20 IKED Cc1nc2cc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)ccc2n1Cc1ccsc1 409539815 VYYHJCXOVCMKBE-INIZCTEOSA-N 446.601 5.959 30 20 IKED C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)Nc1ccnn1-c1ccc(C#N)cc1 426236025 DYJZNTAJHYQAQD-AWEZNQCLSA-N 433.924 5.065 30 20 IKED COCCNc1ccccc1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 431514666 SJVFZZQKMJDZMN-QFIPXVFZSA-N 448.954 5.375 30 20 IKED C[C@@H](Sc1ccccc1)c1ccc(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 433027013 SHJPKQNQRGFCSO-GCJKJVERSA-N 444.560 5.492 30 20 IKED Cc1ccc(C)c(-n2ncc(NC(=O)c3ccc(COc4ccccc4C#N)o3)c2C)c1 437016616 IHYTVDGFGBFNAO-UHFFFAOYSA-N 426.476 5.094 30 20 IKED CO[C@@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccc(Cl)cc1 437976724 PKGAXGGVBYQUOR-DEOSSOPVSA-N 449.938 5.608 30 20 IKED CN(C)C(=O)c1cc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)ccc1F 438439902 SBZXNXKURWNBLL-UHFFFAOYSA-N 437.858 5.097 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)Nc3ccccc3Cl)cc2Cl)c1 439309524 HZPGNLNUCTULHX-UHFFFAOYSA-N 440.286 5.021 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)cc1 439333893 YMHKCJIICHLNNB-UHFFFAOYSA-N 433.449 5.999 30 20 IKED CCn1ncc2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c(C)nc21 440754536 BVBHTPCTSWYMQD-OAQYLSRUSA-N 429.911 5.321 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1ncc(-c2ccc(Br)cc2)o1 441276516 MGFHNEFNKDAQHW-UHFFFAOYSA-N 428.286 5.201 30 20 IKED C=CCC[C@@H](NC(=O)N1CCCN(c2nccs2)CC1)c1ccc(C(F)(F)F)cc1 441543593 NUMBDFIJNGIYGC-GOSISDBHSA-N 438.519 5.091 30 20 IKED N#CC1CCC(CNC(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)CC1 442725758 APVIRVPKDBDSAT-UHFFFAOYSA-N 430.474 5.142 30 20 IKED CCO[C@H](C)c1ncc(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)s1 443898668 QSMURCLHTPWUMA-OAHLLOKOSA-N 425.941 5.613 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F 448195789 FWQAQPBPTBIYBY-UHFFFAOYSA-N 441.365 5.838 30 20 IKED Cn1nc(-c2ccncc2)cc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 463894011 LPUDRWAZPWKJFM-UHFFFAOYSA-N 429.867 5.052 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1nc(C(F)(F)F)cs1 464925411 ZWXRFLDAAKGWEP-UHFFFAOYSA-N 433.480 5.157 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1C 465463172 QUMNISOVYSOELQ-UHFFFAOYSA-N 437.425 5.223 30 20 IKED COc1ccc(C)cc1-n1c(SCCCSCC#N)nc2cc(Cl)ccc2c1=O 466613657 IBUCLWBMLVJRHK-UHFFFAOYSA-N 445.997 5.095 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(CCC#N)CC(F)(F)F)cc1 467331745 VPRCVECTLYYPDV-UHFFFAOYSA-N 429.442 5.081 30 20 IKED CC(C)Cn1ncc(C(=O)Nc2ccc(OCC(F)F)c(C(F)(F)F)c2)c1C(F)F 470223793 OQJDLQOEKNYNLW-UHFFFAOYSA-N 441.347 5.392 30 20 IKED CCN(C(=O)c1ccc2c(c1)nc(C)n2Cc1ccsc1)[C@@H](C)c1ccc(C#N)cc1 472444304 ADARTJDBTIMGEQ-KRWDZBQOSA-N 428.561 5.550 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 472796869 UXXIIUVRZZKIQY-LADGPHEKSA-N 442.515 5.091 30 20 IKED Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 472849450 AAKQRNRHLSBJKZ-HXUWFJFHSA-N 436.515 5.504 30 20 IKED C=C(C)[C@H](NC(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1)c1ccc(F)c(F)c1 480358047 YGZNRVMOUCZMNJ-QZMQVMSPSA-N 429.511 5.013 30 20 IKED C[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)C(F)(F)F 480581529 BBWCEVZFDDXRIY-VIFPVBQESA-N 425.304 5.352 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(C(=O)Nc4nccs4)cc3)c2)cc1 482678208 KTHVDAANKMNYMC-UHFFFAOYSA-N 440.484 5.312 30 20 IKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)[C@@H](C#N)c1nccc2ccccc12 483247792 YOAVNIPMISPHNT-DEOSSOPVSA-N 447.494 6.062 30 20 IKED CCc1onc(-c2ccccc2Cl)c1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 483492636 PPRHXJFCOJZNOP-CYBMUJFWSA-N 440.837 5.792 30 20 IKED C[C@@H](NCc1cccc(OCCCC#N)c1)c1nc(-c2ccc(Br)cc2)no1 483660985 ZTINGHAOZSIEGB-OAHLLOKOSA-N 441.329 5.032 30 20 IKED Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2cccc(SCC#N)c2)n1C 486439506 ZAPMDOGOUMXXJB-UHFFFAOYSA-N 441.354 5.026 30 20 IKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)cc1 487566186 BQARWECNTFFAMI-VWLOTQADSA-N 446.572 5.134 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)Nc3ccccc3-c3ccccc3)o2)cc1 489806558 KUHJRUNLEAZJGB-UHFFFAOYSA-N 443.528 5.699 30 20 IKED C=CCc1cc(CNC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)cc(OC)c1OC 497445324 WONIPFBPYIOAEF-VQTJNVASSA-N 448.588 5.408 30 20 IKED Cc1cc(NC(=O)c2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)nn1CCC#N 504131036 OOGPRJZPMTXFJJ-UHFFFAOYSA-N 439.475 5.337 30 20 IKED COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)NCCCCC#N)cc1OC 505087822 SBSIQFBKRWMKSH-KNTRCKAVSA-N 441.531 5.162 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccccc4)nc3C)n2)cc1 505716307 GLYVMTOZJUYVRN-NRFANRHFSA-N 425.513 5.679 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)N[C@H](C)c2ccccc2C)cc1 507813008 PXAIVPINNYPMOC-RTBURBONSA-N 429.520 5.345 30 20 IKED COc1ccc(OC)c([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 508254608 WOKQOARUUYUGTI-MRXNPFEDSA-N 447.491 5.259 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 510225601 CEAZTIXGRPCWDA-WAIKUNEKSA-N 425.488 5.506 30 20 IKED Cc1ccc(OC2CCN(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)CC2)cc1C 510318032 IIIJABNLPGSWCT-UHFFFAOYSA-N 447.457 5.192 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 510988220 VMLARRPHFCEUTN-UHFFFAOYSA-N 432.911 5.152 30 20 IKED CC[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(OC)cc1 511519253 FGMSFAPSHAFHMJ-QHCPKHFHSA-N 428.492 5.092 30 20 IKED N#Cc1ccc(NC(=O)Cc2csc(-c3cc(Br)cs3)n2)cc1Cl 515598280 MYQGYEGLJGJETF-UHFFFAOYSA-N 438.759 5.340 30 20 IKED C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)CSCc2ccc(C#N)cc2)cc1Cl 515613054 NBOUOIRRXFAFRC-INIZCTEOSA-N 441.984 5.098 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc(-c3ccc(OC)cc3)nc2C)cc1 516201208 HZIVHHBAPQFCOK-UHFFFAOYSA-N 447.560 5.194 30 20 IKED Cc1cccc(COc2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2)c1 516270433 YUZMQMKOSWXVDG-XMMPIXPASA-N 449.535 6.059 30 20 IKED Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 517113923 MGNIKVNNIWPSBR-INIZCTEOSA-N 433.895 5.128 30 20 IKED C=CCN(C(=O)Nc1ccccc1Cc1ccccc1)[C@@H](C)c1cccc(-n2cnnn2)c1 518255149 HBRXOHHEBJGJTG-FQEVSTJZSA-N 438.535 5.034 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](CC(F)(F)F)c3ccccc3)cc2)cc1 519989132 CJPBYLQTQVGEAE-NRFANRHFSA-N 425.410 6.166 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 520362857 DFKDBINOGHHCFY-XMMPIXPASA-N 441.600 5.245 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2cccc(OCC(F)F)c2)cc1 520705221 OFTWPMXSLGCYMN-UHFFFAOYSA-N 426.394 5.064 30 20 IKED COc1ccc(OC(C)C)c(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c1 520737452 CIARNYLCIOVXIM-OAHLLOKOSA-N 427.570 5.124 30 20 IKED Cc1noc2nc(C3CC3)cc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c12 520835313 IKDCNCMGXGQPAU-UHFFFAOYSA-N 446.454 5.686 30 20 IKED C[C@H](NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 522753194 BOIYUOPNKHIPEK-SAWYMBPVSA-N 444.501 5.020 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1 523788559 BJSGZJZLXXTDCB-UHFFFAOYSA-N 445.866 5.376 30 20 IKED CN1CCC[C@H](CNC(=O)c2ccccc2Sc2ccccc2C#N)[C@@H]1c1cccs1 525040589 LCVKNFNFVDMXPR-NTKDMRAZSA-N 447.629 5.584 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1 535414785 DTAMMAFXHKSJCV-UHFFFAOYSA-N 434.471 5.917 30 20 IKED COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 537890252 ATRVLXWPIDWNKT-MZNJEOGPSA-N 432.545 5.224 30 20 IKED CN1CC[C@H](CNC2CCC(C#N)(c3ccccc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 540146775 LZGHPXIRIPGITG-IIFBIBIXSA-N 425.979 5.466 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1ccc(Br)cc1 540344926 HCYHCHPFORGGRZ-HUUCEWRRSA-N 432.387 5.133 30 20 IKED Cc1ccc(C)c(OC2CCN(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)CC2)c1 541102067 ZUGSBFKDRVGZNP-UHFFFAOYSA-N 449.942 5.090 30 20 IKED FC(F)(F)c1cc([C@@H](NCc2nnc(C3CC3)o2)C(F)(F)F)cc(C(F)(F)F)c1 541195396 POTADORUAFFLIO-GFCCVEGCSA-N 433.274 5.378 30 20 IKED COc1cc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc(OC)c1OC 542985979 FPTUYZHMAZNGNX-INIZCTEOSA-N 431.492 5.134 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(-c2cccc(C#N)c2)cc1 542994610 PKHFFRHAJBCVTQ-OAHLLOKOSA-N 437.421 5.060 30 20 IKED COC(=O)c1ccc(Cl)c(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1C 545222981 JHBLUNGUPIOSRH-UHFFFAOYSA-N 434.879 5.138 30 20 IKED CN1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)[C@@H](c2ccccc2)C1 549013717 PUOMOZJDHVTIAB-UKILVPOCSA-N 444.966 5.516 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1nnc(-c2ccc(Cl)cc2Cl)o1 549199716 STUYVBWFCANAJE-UHFFFAOYSA-N 445.693 5.240 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1nc(-c2cccs2)no1 554414747 KKNBLGINWWJFCG-UHFFFAOYSA-N 445.504 5.434 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C2CCC(OC[C@H]3CCCO3)CC2)cc1F 556419025 PQQCDYRIJWTPLB-FBPXKMNZSA-N 438.499 5.183 30 20 IKED CC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 557008820 FFCASOVEOPLQLS-UHFFFAOYSA-N 447.476 5.070 30 20 IKED N#Cc1ccc(CNc2cccc(NC(=O)CN3CCCCCC3)c2)c(C(F)(F)F)c1 558486089 QYCIBDBQMQHNOA-UHFFFAOYSA-N 430.474 5.004 30 20 IKED CN(C(=O)C1CCC(OC(F)F)CC1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 561778507 HRRIOJRHFBLHTO-DBRPNBKGSA-N 433.339 5.565 30 20 IKED N#Cc1cc(NC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)nc2ccccc12 564188047 CLROFPPCQRTZOK-UHFFFAOYSA-N 446.466 5.286 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3sc4ccccc4c3Br)CC2)cc1 577111522 RRAYAFSFDGHEEG-UHFFFAOYSA-N 441.350 5.219 30 20 IKED N#C[C@@H](NC(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1cccc(C(F)(F)F)c1 577338578 ZIOFHNGVKQFTNV-QGZVFWFLSA-N 433.336 5.166 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1 586868090 BSVSUDIRWLLQGW-QGZVFWFLSA-N 425.960 5.094 30 20 IKED Cc1ccc(-c2ccc(C(=O)Nc3ccccc3-n3ncc(C#N)c3N)c(F)c2)cc1C 588837021 KMQXLCMLQQNEGR-UHFFFAOYSA-N 425.467 5.001 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3sc4c(c3C#N)CCCC4)cc(-c3ccco3)nc21 589191247 USFBNPYXEWLOGN-UHFFFAOYSA-N 431.521 5.336 30 20 IKED O=C(NCc1cccc(COC2CCOCC2)c1)Nc1cccc(C#Cc2ccccc2)c1 601102401 ILGQFLUJHVLNFF-UHFFFAOYSA-N 440.543 5.104 30 20 IKED Cc1nc2ccccc2n1CCCNC(=O)c1ccccc1SCc1ccc(C#N)cc1 603453031 QXDOFJUJVJNENQ-UHFFFAOYSA-N 440.572 5.329 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3sc4c(c3C#N)CCCC4)cc(-c3ccccc3)nc21 603819074 FAIFVHKQXULVPH-UHFFFAOYSA-N 441.560 5.743 30 20 IKED CC(C)(C)Oc1ccc(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 604444160 ZHEHYVFPINFQQF-UHFFFAOYSA-N 442.519 5.310 30 20 IKED O=C(Nc1cc(F)c(F)cc1F)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 606194417 UTYUCBQJJDXFFK-UHFFFAOYSA-N 447.253 5.238 30 20 IKED N#Cc1ccc(Oc2cccc(NCc3nc(O)c4ccc(C(F)(F)F)cc4n3)c2)cc1 609221189 GMXNQOPFOOEFNH-UHFFFAOYSA-N 436.393 5.630 30 20 IKED CCCN(C(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C)c1cc(Cl)ccc1C#N 609286313 TZFBPPDRMKAWDI-HXUWFJFHSA-N 432.351 5.063 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCCc2c[nH]c3ccccc23)cc1 609346448 BSTCZZHCRRLEMD-UHFFFAOYSA-N 425.557 5.694 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC(C)(C)c1ccc(Br)cc1 609385375 YQISKQHRSCVLPM-HNNXBMFYSA-N 446.414 5.307 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(CCc1ccccc1)Cc1ccncc1 609398355 WILFXCVTFJUAPX-HXUWFJFHSA-N 430.577 5.610 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1 609438709 UGFPAKBWOXIWFA-HUUCEWRRSA-N 449.498 5.258 30 20 IKED C[C@H]1CCCN(Cc2csc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)n2)C1 609660478 VXPFXQFXIUMXCZ-SFHVURJKSA-N 446.576 5.078 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC(Nc3ccc(F)cc3)CC2)c1 609731325 FZPOHMLZQUFKSO-UHFFFAOYSA-N 449.913 5.860 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(COC3CCCC3)cc2)cc1C 610070935 PPPLUHOORNXXPX-UHFFFAOYSA-N 442.563 5.792 30 20 IKED CC[C@@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1cc(F)ccc1F 610141386 DVVZGOQJTVROJK-QGZVFWFLSA-N 445.520 5.253 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1ccc(OC2CCOCC2)cc1 610223397 BMGJPJNDIQHQNB-UHFFFAOYSA-N 444.506 5.411 30 20 IKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1ccccc1Oc1ccccc1C#N 611503125 MLRUXBUVIMYZQE-NVQXNPDNSA-N 426.516 5.590 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3Cc4cccc(Br)c4C3)cc2)c1 613769351 LXRMGXMLIOOKBU-UHFFFAOYSA-N 434.293 5.661 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 618811193 UXGBRLONPYKPHY-TZIWHRDSSA-N 432.524 5.185 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)N1CCC[C@@H](OC(F)F)C1 679730923 PVSYEWQHICCPFS-SNVBAGLBSA-N 434.377 5.298 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1csc(-c2c(F)cccc2F)n1 726319882 PBCGPONPWZUBNW-OAHLLOKOSA-N 433.439 5.203 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@H]2c2ccccc2OC)c1=S 727828931 DMJYEPCMLRZLJX-FQEVSTJZSA-N 436.581 5.079 30 20 IKED N#Cc1cccc(COc2ccc(NCC(=O)Nc3c(F)cccc3F)cc2Cl)c1 728053250 XQJDGJFHFCGWEO-UHFFFAOYSA-N 427.838 5.119 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1 730396100 MWFWEYLZHARBGI-NRFANRHFSA-N 427.435 5.013 30 20 IKED CC[C@H](C)c1ccc(-c2cc(C(=O)NC3CCN(CC#N)CC3)c3ccccc3n2)cc1 730503333 CIHLMTHUPPQFLP-IBGZPJMESA-N 426.564 5.133 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cc3ccc(OCc4ccccc4)cc3[nH]2)cc1 731192670 JPBWOTSHGOIZCE-UHFFFAOYSA-N 439.515 5.706 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(SC(F)(F)F)cc1 731340109 JODUOFUXOVABIK-LBPRGKRZSA-N 432.514 5.494 30 20 IKED Cc1ccccc1CN(Cc1cccnc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 733622368 SKFRVGFWWGEYHR-MUUNZHRXSA-N 446.554 6.280 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2ccc(Oc3ccccc3)c(F)c2)c1 733802743 AUZANWSNPXZDJR-GHTZIAJQSA-N 447.510 5.859 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2O[C@H](C)c2ccccc2)c1 734656464 YNWFHPDZICWCDV-KNQAVFIVSA-N 429.520 5.829 30 20 IKED CC(=NNc1nc2ccccc2c(=O)n1CCCOC(C)C)c1cccc(Cl)c1Cl 734979001 ZIYOITWAANSQPW-UHFFFAOYSA-N 447.366 5.355 30 20 IKED COc1cc(COC(=O)C2(c3cccc(F)c3)CC2)ccc1OCc1cccc(C#N)c1 735143918 AYBVEUUSAIFKSD-UHFFFAOYSA-N 431.463 5.060 30 20 IKED N#CCOc1ccc(Cl)cc1CN1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 735310237 UZFNAWCPZUFPLM-INIZCTEOSA-N 443.334 5.325 30 20 IKED C[C@H](SCc1cc(Cl)ccc1OCC#N)C(=O)Nc1cccc(Br)c1 735318099 INZCDNGQQCVPDE-LBPRGKRZSA-N 439.762 5.265 30 20 IKED N#CCOc1ccc(Cl)cc1CSCC(=O)Nc1ccc(SC(F)F)cc1 735320251 OFWLLPLKNBDNCK-UHFFFAOYSA-N 428.913 5.429 30 20 IKED N#CCOc1ccc(Cl)cc1COC(=O)CCCc1ccc(Br)s1 735337426 POKYAEIGTMLBSW-UHFFFAOYSA-N 428.735 5.132 30 20 IKED Cc1oc(-c2ccccc2F)nc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 739153897 ACSCNRNTQSREOU-MRXNPFEDSA-N 437.883 6.056 30 20 IKED CC(C)c1nn(C)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc12 744026121 UUFOEGAWUIBNMX-CQSZACIVSA-N 448.520 5.034 30 20 IKED C[C@@H](OC(=O)c1ccccc1N=Nc1ccc(O)cc1)C(=O)N(CCC#N)c1ccccc1 744550228 HDBQZBPHKIFXMX-GOSISDBHSA-N 442.475 5.300 30 20 IKED CCc1nnc(-c2ccc(NC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)cc2)o1 747552805 DKDJYWOWGXLEHX-UHFFFAOYSA-N 429.505 5.221 30 20 IKED Cc1nn(Cc2ccccc2)c(C)c1C=NOCc1cccc(C(=O)Nc2ccccc2)c1 748100580 UJBHTCKWHNZAFM-UHFFFAOYSA-N 438.531 5.351 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)c1C#N 748778058 RSJCJXDCIBHTNQ-UHFFFAOYSA-N 445.013 5.011 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC(OC[C@@H]2CCCO2)CC1)c1ccc(C(F)(F)F)cc1 749869700 GJWDIKIAUUMYFR-LEWJYISDSA-N 440.506 5.082 30 20 IKED N#Cc1ccc(NC(=O)N(Cc2ccccc2)C[C@H](O)c2cccs2)cc1C(F)(F)F 755817564 YREMRTHLOFVVCB-IBGZPJMESA-N 445.466 5.406 30 20 IKED C#CC[C@H](NC(=O)N(CCCn1ccnc1)Cc1c(F)cccc1Cl)c1ccccc1 757761548 NDKOFUMGYZQMPU-QHCPKHFHSA-N 438.934 5.042 30 20 IKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cncc(-c2ccc(Cl)cc2)c1 757873568 DUKNTLYBPOZNPA-KRWDZBQOSA-N 428.250 5.156 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCOc3c(C)cc(C)cc3C2=O)cs1 763116982 SVBDJWQWAUSYFX-UYRXBGFRSA-N 432.545 5.802 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2Cc3ccc(Br)cc3C2)cc1 765139269 XJHZJHMTSPQIDC-QFIPXVFZSA-N 432.321 5.652 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CC[C@H](c4ccc(C(F)(F)F)cc4)C3)cc2)nc1 767191239 ROIAEBQGRYQFIB-IBGZPJMESA-N 437.421 5.394 30 20 IKED C=CCSc1ccccc1NC(=O)COC(=O)c1csc(Cc2ccc(C)cc2)n1 768658121 PBUUGDOXXICURG-UHFFFAOYSA-N 438.574 5.116 30 20 IKED N#C[C@H](C(=O)/C=C\c1ccnc(Cl)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 771260557 IOWWPFQQFLAPLG-YZUOEBHYSA-N 434.735 6.055 30 20 IKED C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)Nc1ccc(F)cc1OCC#N 772437807 YLQWNZSDXNRPQQ-CJAUYULYSA-N 429.495 5.339 30 20 IKED C=CCn1c(COc2ccccc2)nn(CN(CCC)[C@H]2CCCc3cccnc32)c1=S 774609615 IPKOQQUOWAPBFM-QFIPXVFZSA-N 449.624 5.321 30 20 IKED C[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1ccc(-c2cccc(C#N)c2)cc1 782523175 IJLWVPAZMOREIO-KOSHJBKYSA-N 443.510 5.113 30 20 IKED Cc1ccnc(OC2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)c1 782553296 OLKVRSSDLGYTAW-XMMPIXPASA-N 426.520 5.121 30 20 IKED CSc1nc(C2CC2)cc(C(=O)O[C@H](C)c2nnc(-c3ccccc3F)s2)c1C#N 782611913 VMDDKLNBWUCJQL-LLVKDONJSA-N 440.525 5.128 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H]2CCc3cc(Br)cc(C)c32)ccc1OC 786850793 ALUCGLUGWWMQSE-OALUTQOASA-N 429.358 5.224 30 20 IKED CCOc1cc(/C=C\C(=O)c2cnn(C(C)C)c2C)cc(Br)c1OC(F)F 787186003 FDHYIOJVALEXDT-SREVYHEPSA-N 443.288 5.431 30 20 IKED CC(=O)N(c1nc(COC(=O)C[C@@H](CC#N)c2ccccc2)cs1)c1ccc(C)cc1C 795981997 GDVGTVXZOIKLIZ-OAQYLSRUSA-N 447.560 5.575 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@](CO)(c3ccccc3)C2)cc1F 801633633 NTKQKQPBEUZQSK-SANMLTNESA-N 445.494 5.048 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@H]1COC(=O)NC1CCCC1 809890845 ICOZSCGOEHYATD-NRFANRHFSA-N 427.589 5.594 30 20 IKED C#C[C@@H](NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C)c1ccc(F)cc1 812751920 NZNQZJDGWABZAA-GOSISDBHSA-N 426.900 5.206 30 20 IKED C[C@H](NC(=O)CCCCOc1cccc(C#N)c1)c1ccc(C(F)(F)F)nc1Cl 816761510 DLOJWZJWIVKRPE-ZDUSSCGKSA-N 425.838 5.052 30 20 IKED N#CC(CCOC(=O)COCc1nc2ccccc2s1)(c1ccccc1)c1ccccc1 914898219 OHVJGOJEIWYDCJ-UHFFFAOYSA-N 442.540 5.256 30 20 IKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccco2)c1 916212115 TWKHZFKUJPDLOS-NRFANRHFSA-N 433.533 5.057 30 20 IKED COc1cc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)cc(Cl)c1OC 916277175 WJKXIQSASIHWOT-UHFFFAOYSA-N 443.743 5.093 30 20 IKED CC(C)CCSc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] 916885141 ODFZUXQXPOZDOI-KRWDZBQOSA-N 445.928 5.348 30 20 IKED Cc1nc(-c2cccs2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916888311 VTRJYVXFKATQDP-CYBMUJFWSA-N 449.529 5.456 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCCOc1ccc(Cl)cc1Cl 916904261 ZKGAJRAMPBOBMA-GOSISDBHSA-N 447.362 5.625 30 20 IKED N#C[C@H](C(=O)Cc1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)ccc2s1 917042867 IDEGVMFECLOYIF-CYBMUJFWSA-N 428.357 5.753 30 20 IKED COc1cccc(NC(=O)/C(=C/c2csc(-c3ccsc3)n2)C(=O)c2ccccc2)c1 920064835 LRLRWOIYUDSRSR-FYJGNVAPSA-N 446.553 5.785 30 20 IKED N#C[C@H](C(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1nc(-c2c(F)cccc2F)cs1 920806672 NJVVQHBJWQXZDA-OAHLLOKOSA-N 442.447 5.065 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(N3CCCC3)c(F)c2)cc1C 920854675 PLZRYRHVCBSLSL-UHFFFAOYSA-N 431.515 5.072 30 20 IKED CC(C)[C@@H](C(=O)NC1(c2ccc(NC(=O)CCC#N)cc2)CCC1)c1ccc(Cl)cc1 1787888905 NEROEDLYIMPCBT-HSZRJFAPSA-N 437.971 5.517 30 20 IKED Cc1cccc(-c2ncccc2C(=O)Nc2ccc(C3(NC(=O)[C@H](C)S)CCC3)cc2)c1 1788362564 ORVLDOIYRQZBPX-SFHVURJKSA-N 445.588 5.123 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3c(C)noc3CCC)cc2)CCC1 1788781177 LKFDCLJOCMSFSC-NRFANRHFSA-N 435.568 5.452 30 20 IKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccccc3)n3ccccc13)C2 1801636832 GNXXKIIETSPSLF-XBYSBRQOSA-N 441.575 5.070 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cc3c(F)cccc3Cl)C2)CC1 1805210642 LKIYLSGOSCZTHR-UHFFFAOYSA-N 449.010 5.245 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)[C@@H]1c1cccnc1 1812902338 RZLFHDLMMYVBAZ-SSXAXAPESA-N 437.628 5.072 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ccoc23)n[nH]1 1821535232 CDZVBDQSMALZFA-NQIIRXRSSA-N 432.524 5.230 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](c3ccccc3)[C@H](C)CC)CC2)C1 1823700732 HROCHCRSIJBMKF-LPPUWEFUSA-N 436.640 5.402 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3[nH]ccc3s2)CC1 1828828285 HCTQJLWFTYIHNT-CTNGQTDRSA-N 439.625 5.231 30 20 IKED CC1(C)CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)C1 1831930462 RBPCNPVPDKNAKV-HSZRJFAPSA-N 444.736 5.093 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)c(F)c2C)CC1 1832617694 OFDWMWKAHODEGS-NFBKMPQASA-N 444.566 5.275 30 20 IKED CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1C 9072846 PXKAFUBODFQMMJ-UHFFFAOYSA-N 446.528 5.038 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)OCc2nnc(-c3ccccc3)o2)cc1 9072935 GNZIQFMSMGWCAM-UHFFFAOYSA-N 427.485 5.258 30 20 IKED CCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2ccccc2OC)cc1 10118190 YMVIIADHUDGYFN-UHFFFAOYSA-O 425.961 5.249 30 20 IKED Cc1nc2ccccc2c(C)c1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 10909664 OXXMTTNGIVVFAH-UHFFFAOYSA-N 444.535 5.052 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2cc(C)[nH]c2C)[n+]2ccc3c(c2)CCCC3)cc1 23604188 BBMXPBQFOBNASH-UHFFFAOYSA-O 432.613 5.411 30 20 IKED COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 25438282 WCFYLVDLYUFREY-UHFFFAOYSA-N 436.515 5.601 30 20 IKED C=CCn1c(SCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)nc2ccccc21 32847476 PRDSLFQMUVYECE-IBGZPJMESA-N 448.573 5.347 30 20 IKED N#C[C@H](C(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1nc2ccccc2s1 60488209 BQRDTFPPDVCXLP-MRXNPFEDSA-N 426.526 5.701 30 20 IKED COc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 60488339 SBVPMNOJSSDYFI-KRWDZBQOSA-N 426.925 5.290 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2cccnc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 64682079 WEUURMHDGLFRGZ-HXUWFJFHSA-N 431.904 6.141 30 20 IKED C[C@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1nc(-c2ccncc2)cs1 409666817 CVWDUWFKGATWAE-KRWDZBQOSA-N 440.528 5.147 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cncc(-c4cccc(C)c4)c3)n2)cc1 426195933 JFHDAVSKLJTLLA-JOCHJYFZSA-N 425.513 5.679 30 20 IKED Cc1c(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)sc2ccc(C#N)cc12 427996904 PLHHNZWGDBTOBB-UHFFFAOYSA-N 427.533 5.319 30 20 IKED N#CCSc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 429797779 XMMXIBKVNGGNRE-UHFFFAOYSA-N 433.920 5.659 30 20 IKED CCOC(=O)c1sc(N(C(=O)c2cccc(SCC#N)c2)c2ccccc2)nc1C 429872361 XOBRDPXYGFHKHY-UHFFFAOYSA-N 437.546 5.222 30 20 IKED C[C@@H](NC(=O)NCCc1cccc(C(F)(F)F)n1)c1ccc(-c2cccc(C#N)c2)cc1 432561247 YOXNTJCHROKKNH-MRXNPFEDSA-N 438.453 5.242 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2c(-c3ccc(Cl)c(Cl)c3)noc2C)cc1 436139654 FAIVYKALAUFMRZ-UHFFFAOYSA-N 430.291 5.125 30 20 IKED C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)c1 438654279 FZYNQQDDCIFDDK-UHFFFAOYSA-N 443.528 5.029 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2ccc(C)c(OCc3csc(Br)c3)c2)n1 442601243 QNNKJBAYQUEFAB-OAHLLOKOSA-N 447.379 5.653 30 20 IKED Cc1nc(-c2cc3c(s2)CCN(C(=O)c2cn(CCCC#N)c4ccccc24)C3)cs1 444345995 UHBIXIBCMLIUFF-UHFFFAOYSA-N 446.601 5.637 30 20 IKED CC[C@@H](Nc1ccc2c(c1)N(C(=O)Cc1cccc(OC)c1)CC2)c1ccc(C#N)cc1 447609579 YKKFEYXPACFXNM-RUZDIDTESA-N 425.532 5.262 30 20 IKED CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1cccc(Cl)c1 460701814 WUUPQAUGFCRICG-QFIPXVFZSA-N 435.959 5.238 30 20 IKED CC(C)C[C@@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)c1cccc(C(F)(F)F)c1 462085978 UVBFZOKJFVBYLU-LJQANCHMSA-N 442.445 5.067 30 20 IKED C=CCn1c(SCC(=O)N2C[C@@H](C)C[C@H]2CC)nnc1-c1ccc(Cl)cc1Cl 465295488 NUTRHSSHUQVJGZ-DZGCQCFKSA-N 439.412 5.177 30 20 IKED COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 466051785 NGDXARWGJAOEND-XNMGPUDCSA-N 443.522 5.148 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)N(CCC#N)Cc1ccco1 467292769 WBOYCVUYNRSEDZ-UHFFFAOYSA-N 436.899 5.442 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)CCC(=O)c3ccc4ccccc4c3)ccc21 469954284 VBWSCDKOWBBIMX-UHFFFAOYSA-N 439.515 5.024 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@@H]3CCCC[C@H]3Cc3ccccc3)ccc21 470554762 CSHXBJFNMWBIOJ-XUZZJYLKSA-N 444.579 5.193 30 20 IKED C=CCOc1ccc(CNC(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)cc1 476132228 CQROGWCULZMZHW-WJOKGBTCSA-N 434.561 5.022 30 20 IKED N#CCCCn1cc(C(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)c2ccccc21 478489859 LNLMTYVKKFYJNH-IBGZPJMESA-N 449.860 5.081 30 20 IKED C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 479553792 FBBSDWMUCYGNIH-BDJLRTHQSA-N 427.348 5.214 30 20 IKED C[C@@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@H](c2ccco2)C1 480280205 CUHZHFWIBZGPJM-VGSWGCGISA-N 428.492 5.409 30 20 IKED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)cc1 480998620 MQNZSBHYUPQEIB-BTYIYWSLSA-N 445.972 5.079 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cnc(-c4ccsc4)s3)cc2F)c1 484253147 IRKYNHZRBBTYIF-UHFFFAOYSA-N 435.505 5.714 30 20 IKED CCC(C)(C)OCc1cccc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c1C 488814954 IURHLULQSIPTBY-UHFFFAOYSA-N 442.581 5.030 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)nnc1-c1cccs1 489449724 OSJIOIMVUKLTOO-OAHLLOKOSA-N 440.594 5.151 30 20 IKED CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2occc2COc2cccc(C#N)c2)c1 490182083 KZDIAIRNNGZIEU-UHFFFAOYSA-N 437.883 5.375 30 20 IKED Cc1ccc(F)c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1Br 495091905 KOPYLMQEQJBSEM-UHFFFAOYSA-N 430.302 5.068 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 499708114 QCEVPOHXZUFUPD-UHFFFAOYSA-N 427.835 5.299 30 20 IKED N#C[C@H](NC(=O)c1ccc(COc2ccc(Br)cc2)o1)c1ccccc1Cl 499945976 PVCHRESLOREBSC-SFHVURJKSA-N 445.700 5.269 30 20 IKED Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)Cc1noc(C)c1C#N 500662411 IFYWMIXSXYSXOA-UHFFFAOYSA-N 431.471 5.081 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cc(F)c(Cl)cc3Cl)c2)cc1 501424477 PHFHKNFMGFHKTH-UHFFFAOYSA-N 429.278 6.030 30 20 IKED Cc1c(Cl)cc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1Cl 502616685 OCQMGDVKYLVGLI-UHFFFAOYSA-N 431.323 5.056 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H](c2ccccc2)c2nccs2)cc1 509248923 VHDMPQUCADIKKX-JOCHJYFZSA-N 426.501 5.718 30 20 IKED CC1(C#N)CCN(C(=O)c2ccccc2SCc2ccc(Br)cc2)CC1 509366889 YEQQNRFTTIJFKN-UHFFFAOYSA-N 429.383 5.507 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1 509613881 QADXMLKBUAOADP-UHFFFAOYSA-N 448.422 5.179 30 20 IKED N#Cc1ccc(-c2ccccc2)nc1SCC(=O)N[C@H](c1ccccc1)c1cccs1 510211980 SXQRBFXXNHNFFX-XMMPIXPASA-N 441.581 5.680 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2cn(CCOc3ccccc3Cl)c3ccccc23)n1 511868814 RRDMXXWEUHWBFQ-KRWDZBQOSA-N 435.936 5.629 30 20 IKED C[C@H](N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1)c1ccc(C#N)cc1F 512672366 KAEKRFIGQLGMPN-QWHCGFSZSA-N 430.346 5.995 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2nc3ccccc3s2)o1)c1nc(-c2ccncc2)cs1 512959334 XUWYKZJRNVEIFY-CQSZACIVSA-N 428.498 5.565 30 20 IKED Cc1c(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)sc2nc(C(F)(F)F)ccc12 514782134 CKSMKOYIEBCYDH-UHFFFAOYSA-N 444.463 5.871 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(OCC(F)(F)F)cc1 517170544 QXENWRHDQDKMNE-UHFFFAOYSA-N 428.435 5.903 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 518786710 VLAYGLRCVMAIFE-HNAYVOBHSA-N 432.014 5.914 30 20 IKED N#CCCn1cc(CNc2ccc(-n3nccc3C(F)(F)F)cc2)c(-c2ccccc2)n1 519701850 AHKZPZSYCUCEBW-UHFFFAOYSA-N 436.441 5.280 30 20 IKED Cc1cc(COc2ccc(C(=O)Nc3sc(C)c(C)c3C#N)cc2Br)no1 520692022 NAPXTDGFAVQQHX-UHFFFAOYSA-N 446.326 5.127 30 20 IKED C[C@@H](CCc1ccc(Br)cc1)NC(=O)Nc1ccccc1S[C@H](C)CC#N 520940149 GJAPAPUBAGXNGI-JKSUJKDBSA-N 446.414 5.986 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)NCc1ccccc1-c1ccc(Cl)cc1 521742741 QSVNTENYYFFUIA-UHFFFAOYSA-N 449.963 5.268 30 20 IKED CCSc1cccc(Br)c1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C 521851909 QLWPSPLDYKADKT-UHFFFAOYSA-N 432.387 5.875 30 20 IKED C=CCN(CCc1ccccc1)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 522453596 JKSMFRDKEISCHS-UHFFFAOYSA-N 433.939 5.855 30 20 IKED C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 523419244 ZTBPPABVSIIBAR-HRAATJIYSA-N 433.914 6.286 30 20 IKED CSc1ncc(Cl)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)n1 524119769 DWBDYVAZPMDQBH-UHFFFAOYSA-N 445.331 5.208 30 20 IKED N#Cc1ccc(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)c(F)c1 525503707 SBLIRUGYPDVRFL-MRXNPFEDSA-N 427.551 5.290 30 20 IKED COc1ccc(C[C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OC 525606235 TZFJKOJKRWZSCJ-SFHVURJKSA-N 446.572 5.229 30 20 IKED CCCOc1ccc(NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1Cl 525859998 ILSBJJWIVSTICE-CQSZACIVSA-N 431.945 5.100 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ncc(Cc2ccccc2Cl)s1 532743488 OGIRNOQFWTWVQJ-UHFFFAOYSA-N 438.940 5.006 30 20 IKED N#CC1(NC(=O)c2oc3ccccc3c2CSc2ccccc2Cl)CCSCC1 534586191 WQMJLAVSVXYXDX-UHFFFAOYSA-N 442.993 5.898 30 20 IKED COC(=O)CCSc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 535945230 YJYGXWVMLMBNIB-UHFFFAOYSA-N 448.569 5.617 30 20 IKED C=CCN(C(=O)Nc1ccccc1-c1ccc(-c2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 539454572 LOCMSTQTEKGDQO-HSZRJFAPSA-N 446.572 5.228 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 542022901 CYJQMOPHIXMEHH-HNAYVOBHSA-N 449.498 5.705 30 20 IKED C=CCN(C(=O)[C@H](C)CCC(C)(C)C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 543443977 PQLRTPCVRKOMLZ-MRXNPFEDSA-N 434.627 5.195 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4cc(C#N)cn4C(C)(C)C)cc3)o2)c1 553279860 IQTBVGMYBOFQFV-UHFFFAOYSA-N 425.492 5.393 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H](C(F)(F)F)C4(CCC4)C3)cc2)c1 554878169 WOZLAUXXISAKIO-FQEVSTJZSA-N 429.442 5.937 30 20 IKED Cn1nccc1[C@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 558746253 MKTYZTFZKKSTOJ-RXVVDRJESA-N 433.943 5.140 30 20 IKED Fc1cc(NCc2ccc(C(F)(F)F)cn2)ccc1Oc1ccc(C(F)(F)F)cn1 559947518 XZKFHTGUNXALOQ-UHFFFAOYSA-N 431.311 6.058 30 20 IKED Cc1cc(-c2cc(C(=O)N(CCC#N)c3ccc(F)cc3)c3c(C)noc3n2)c(C)s1 561916357 PBTSVCCLCWVJNN-UHFFFAOYSA-N 434.496 5.576 30 20 IKED CSC[C@](C)(C#N)NC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1 584744534 FCVYZGGBZNUMLY-NRFANRHFSA-N 430.982 5.754 30 20 IKED C=CCOc1ccc(C(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccccc2C)cc1 588798486 NGYTUCLSYCLDQV-RUZDIDTESA-N 426.516 5.160 30 20 IKED N#Cc1ccc(CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(C(F)(F)F)c1 589514805 UBWVCMNPYYBOIP-MRXNPFEDSA-N 440.309 6.379 30 20 IKED CC(=O)N[C@H](CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2)c1cccs1 590615030 HMNYMADZCUOTFX-WMLDXEAASA-N 429.611 5.038 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)N[C@@H](C#N)c3ccccc3Br)c(C)c2c1 603471207 PJFLQMHQMVHUNM-IBGZPJMESA-N 439.309 5.020 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1[N+](=O)[O-] 603613825 YTFRINFSJYUVCD-ULYJJNKVSA-N 437.521 5.018 30 20 IKED CN(Cc1ccc(Br)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603690366 MVEDEQZTVPJHNY-UHFFFAOYSA-N 437.297 5.172 30 20 IKED Cc1ccc(Sc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)cc2[N+](=O)[O-])cc1 603940197 UCEFAUSTEKAHRS-QGZVFWFLSA-N 429.457 5.686 30 20 IKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 603983937 UZEIWHXHZIZMGF-UHFFFAOYSA-N 447.343 5.439 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C 604360724 PKUOBNWQBRZWQL-XMMPIXPASA-N 439.519 6.054 30 20 IKED N#CCCCOc1cccc(/C=C2\CCn3c2nc2scc(-c4ccccc4)c2c3=O)c1 608845753 CZUDZOJFTQBYOX-HMMYKYKNSA-N 439.540 5.752 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N(Cc1cccc2ccccc12)C1CCCC1 609063902 ZZGPKSGJESGWIG-UHFFFAOYSA-N 428.580 5.471 30 20 IKED N#C[C@@H](NC(=O)c1cc(-c2cccc(F)c2)no1)c1ccc(OCc2ccccc2)cc1 609173380 PRQWLMXCLNMBDX-HSZRJFAPSA-N 427.435 5.054 30 20 IKED CC(C)(C)CN(CCC#N)C(=O)c1cc2cc(Br)cc(Br)c2o1 609191871 ZGXKBCJSBZWQDK-UHFFFAOYSA-N 442.151 5.360 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 609287161 VLXHXVBKVCEMFD-FQEVSTJZSA-N 447.753 5.373 30 20 IKED Cc1cc(C)n(-c2ccc(-c3noc(-c4cccc(COc5cccc(C#N)c5)c4)n3)cn2)n1 609648661 ZYDNLFAWOJUPRH-UHFFFAOYSA-N 448.486 5.052 30 20 IKED Cc1cccnc1[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C(C)C 609682895 GDDLIFMBVBYFBL-JOCHJYFZSA-N 427.508 5.033 30 20 IKED C[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc2c(c1)CCC(=O)N2 609723563 FPVUJZJUIUQQPR-OAHLLOKOSA-N 445.906 5.380 30 20 IKED CCN(Cc1cccc(-c2ccncc2)c1)C(=O)CSc1nc(C)c(C)c(C)c1C#N 610191793 YDGSCCYLPVUHQO-UHFFFAOYSA-N 430.577 5.081 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H](CC3CC3)c3ccccc3)s2)cc1 610321830 WDQSMEFXTMODCJ-IBGZPJMESA-N 435.578 5.365 30 20 IKED Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 611226887 GABHPGWDKKREDE-UHFFFAOYSA-N 429.867 5.145 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc2)nn1 611820456 KDYZBNNOXFMLCM-LJQANCHMSA-N 449.514 5.999 30 20 IKED Cc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cs2)o1 613404320 KXMYNEBBRAMIQK-NSHDSACASA-N 433.436 5.830 30 20 IKED N#C[C@H](C(=O)c1ccccc1C(=O)c1ccc(Br)cc1)c1nc2ccccc2o1 614439807 LKLVQAQQOVGBHY-GOSISDBHSA-N 445.272 5.311 30 20 IKED CC(C)c1ccc(C(C)(C)NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 615858668 CYGJSHPPXVTDBD-UHFFFAOYSA-N 432.568 5.450 30 20 IKED O=C(Nc1ccccc1OCC(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618540026 NXHDDPBQDQUIQD-NXEZZACHSA-N 438.290 5.222 30 20 IKED COc1cccc(-c2nnc(S[C@H](C#N)c3ccc(Cl)cc3)n2Cc2ccco2)c1 619863745 OAAXNVDMLNSKPR-HXUWFJFHSA-N 436.924 5.605 30 20 IKED O=C(NCCc1ccc(C(F)(F)F)cc1)c1cnn(-c2ccccc2F)c1C(F)(F)F 641912156 SZODQHKLXROQAR-UHFFFAOYSA-N 445.338 5.022 30 20 IKED O=C(NCc1cccc(C(F)(F)F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642620014 GMFYGDSGOMOVFI-VXGBXAGGSA-N 436.318 5.414 30 20 IKED C=CCN(C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1)c1ccccc1 647907264 POCJTNUFKBNBRV-UHFFFAOYSA-N 444.915 5.113 30 20 IKED CCN(CC)C(=O)CCC1CCN(C(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 679878021 JVDZGFZAUDYWDM-UHFFFAOYSA-N 437.609 5.040 30 20 IKED Cc1ccc(N(CCC#N)C(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 726940071 GGXZBAKMIIDDNX-UHFFFAOYSA-N 437.499 5.483 30 20 IKED CSc1ccc(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 728297933 NZCXWVHLVIKRKL-MRXNPFEDSA-N 435.524 5.437 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/Oc3ccc(Cl)cc3C2=O)cs1 729151843 WHIZILKWXMXSAA-GIJQJNRQSA-N 431.300 5.751 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(-c2nc3c(F)cccc3[nH]2)cc1 730761507 GYWHELANBXANKU-UHFFFAOYSA-N 425.423 5.185 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H](C)Sc1ccc(Cl)cc1 731065902 OXMVLSCJHJVBMZ-HUUCEWRRSA-N 448.997 5.397 30 20 IKED O=C(/C=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(C(F)(F)F)nc1O 731563325 PFOLDZUTPLQKPG-KXFIGUGUSA-N 428.193 6.269 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCCOc3cccc(C#N)c3)n2)cc1 732496610 CCUGKFXULOZBOZ-NRFANRHFSA-N 431.517 5.116 30 20 IKED CC(C)OC(=O)N1CCC(OC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 733063922 DUDBERGTEXUNSZ-UHFFFAOYSA-N 438.549 5.017 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccncc2)Cc2cccnc2)cc1 733622430 SQUKVJKKYBVCAP-SANMLTNESA-N 433.515 5.366 30 20 IKED C=CCNC(=S)/C(=C(/O)c1ccc(Oc2ccccc2)cc1)[n+]1cc(O)cc(Cl)c1 738000765 YQURKGKUBVMZHI-UHFFFAOYSA-O 439.944 5.112 30 20 IKED CC(C)c1ccc([C@@H](C)CC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 739144080 VUVYNZYUMJQJGV-HNAYVOBHSA-N 433.577 5.769 30 20 IKED N#CCSc1ccccc1C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1 739785594 LQXYSHGCHDVPHE-UHFFFAOYSA-N 428.435 6.366 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)cc1 751084204 MVVKSBMXVLYTTN-RSMFLLDRSA-N 443.591 5.536 30 20 IKED C[C@H](OC(=O)c1c(F)cc(C#N)cc1F)c1cnc(-c2ccc(Br)cc2)s1 752561947 CGKJGQXVWMTVIJ-JTQLQIEISA-N 449.276 5.640 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 755284280 GBXPZXPQLPTCOG-DHIUTWEWSA-N 448.567 5.057 30 20 IKED COc1cc(C=NOCc2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1Cl 758144609 NPQRUHSJTCTBOA-UHFFFAOYSA-N 442.874 5.056 30 20 IKED Cc1ccc(NC(=O)c2nnc(/C(Cl)=C\c3ccc(F)c(C#N)c3Cl)s2)cc1 761476431 IHPYYAWJNSTLHG-RIYZIHGNSA-N 433.295 5.500 30 20 IKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccc(C)cc2)=C(/O)c2ccc(C#N)cc2)cc1 762445573 SNISCFUJHPYYIV-UHFFFAOYSA-O 442.608 6.381 30 20 IKED CC(C)c1nn(-c2ccc(Br)cc2)cc1C=NNCc1cnc2ccccc2c1 763358120 NZDFFHZCLIWUSQ-UHFFFAOYSA-N 448.368 5.430 30 20 IKED C[C@H](CC(=O)[C@H](C#N)c1nc2ccccc2s1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 763469569 HOFMIVOSPOHOHU-IKGGRYGDSA-N 427.570 5.146 30 20 IKED N#CCOc1ccc(CC(=O)Nc2c(Oc3ccc(Cl)cc3)ccc3ncccc23)cc1 764533236 KPVXXYVKSMFTIU-UHFFFAOYSA-N 443.890 5.764 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@](C)(O)c1cccc(Cl)c1 765179274 MCSMTBVRVRCDMI-VWLOTQADSA-N 449.938 5.128 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C(=O)OC(C)(C)C)c1ccccc1 769193913 NAPMDNYIOPTUTE-KRWDZBQOSA-N 425.554 5.319 30 20 IKED N#C[C@@H](C(=O)CN1CCC(c2ccc(C(F)(F)F)cc2)CC1)c1nc2ccccc2s1 773711437 OFZLLDAZBUAFBV-SFHVURJKSA-N 443.494 5.371 30 20 IKED COC(=O)c1coc(/C=C(/C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)c1 774114364 JWVTYLIHSCGAPC-XDHOZWIPSA-N 437.879 5.241 30 20 IKED C=CCn1c(=S)n(CN2[C@H]3CC[C@H]2CC(N(C)C(=O)c2ccccc2)C3)c2ccccc21 776775580 HBMSSDSNRWWLEP-SFTDATJTSA-N 446.620 5.083 30 20 IKED O=C(C[S@@](=O)Cc1ccc(CF)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 777548737 QVKIFKBFYFCQEL-LJAQVGFWSA-N 441.368 5.081 30 20 IKED COc1ccc2c(c1)c(C(=O)Nc1ccccc1O[C@H](C)C#N)c(C)n2Cc1ccccc1 780147675 HWTLPOJQLMVZMI-GOSISDBHSA-N 439.515 5.550 30 20 IKED N#C[C@H](C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc2ccccc2n1 780301113 GGORSGOYHLWEOV-DEOSSOPVSA-N 446.485 5.646 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccccc2)nc2ccccc12 780305550 LPQOMYHLZBHMMP-DEOSSOPVSA-N 447.538 5.988 30 20 IKED COc1ccc(SCCCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 781463096 YNKQWHUQXJNQJH-INIZCTEOSA-N 444.528 5.846 30 20 IKED COC(=O)c1ccc(NN=Cc2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1Cl 782239292 XFAYMIYHQBCQNV-UHFFFAOYSA-N 442.928 5.022 30 20 IKED CC[C@H](CC#N)OC(=O)c1sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c2c1C 787087112 LTKGIAORYZVAMD-OAHLLOKOSA-N 441.578 5.051 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccnc(Oc2ccc(F)cc2F)c1 789392267 HLSRPVXYGPVHMP-KRWDZBQOSA-N 431.398 5.147 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnc(Br)c(Cl)c2)cc1 790243160 QEIKIPBCTRXJOF-KRWDZBQOSA-N 426.701 5.405 30 20 IKED C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccsc1 792751346 BPSYVLQLWCQBAW-MAUKXSAKSA-N 445.997 5.082 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1Cl 795252622 RZFVGSOESSFSKF-IBGZPJMESA-N 432.838 5.493 30 20 IKED C=CCN(C(=O)Cc1sc(SC(F)F)nc1C)c1nc(-c2ccccc2)cs1 796524509 MWJJFOKNJDHNJN-UHFFFAOYSA-N 437.562 5.651 30 20 IKED CC(C)(CCC#N)COC(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 798876304 KISMETVICCBFJM-UHFFFAOYSA-N 443.341 5.117 30 20 IKED C[C@@H](Cc1cncc2ccccc12)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 805867554 KXKANIAUZPGUDC-KBXCAEBGSA-N 433.483 5.692 30 20 IKED O=C(c1ccc(OC(F)F)c(Cl)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 883978920 XZICSMIHGVRDHX-DTORHVGOSA-N 425.703 5.144 30 20 IKED C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc(Oc3ccccc3)nc2)no1 904451953 XPVZEGLIDZJNBI-QGZVFWFLSA-N 442.903 5.632 30 20 IKED N#C[C@@H](C(=O)Cc1ccc2c(c1)OCCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103631 ZTVKFSNMBDZZSJ-HNNXBMFYSA-N 445.327 5.307 30 20 IKED COc1ccc2c(CC(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)coc2c1 915104872 VRXXBJQXROBXQP-HNNXBMFYSA-N 430.407 5.489 30 20 IKED Cc1ccccc1-c1nnc(S)n1N=Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 916341700 KGWODMYFJHXEJZ-UHFFFAOYSA-N 449.467 5.264 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCCOc1cccc2ccccc12 916911135 ZJIVNPNNPAJVRK-QHCPKHFHSA-N 428.532 5.471 30 20 IKED N#C[C@H](C(=O)COc1ccccc1C(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 917043206 IUBOKOWDAYHKRY-LLVKDONJSA-N 444.356 5.589 30 20 IKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2cccc(C(C)C)c2)[n+]2ccccc2)C=C1 917616364 ZHAXKBJCSUAZGK-UHFFFAOYSA-O 432.569 5.191 30 20 IKED Cc1ccc(-c2nc(C=Nn3c(S)nnc3COc3c(C)cccc3C)cs2)cc1 918710932 LGSCGSRHECVVCS-UHFFFAOYSA-N 435.578 5.077 30 20 IKED Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 919825378 HOYNSRSJUZNMKM-UHFFFAOYSA-N 428.879 5.750 30 20 IKED C=CCN(C(=O)[C@H](C)Cc1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 920999533 UYUPOMZBSICDJJ-OAHLLOKOSA-N 425.485 5.255 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc4cc(C)[nH]c34)CCC2)cc1 1786365971 BHDPKHMZBIACTM-UHFFFAOYSA-N 445.563 5.207 30 20 IKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc4ccccc4c3)cc2)CCC1 1787700786 JXXROMMNUUYGCO-FQEVSTJZSA-N 442.559 5.108 30 20 IKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4c(F)cc(Cl)cc4Cl)CCC3)cc2)CC1 1787880604 CCUQMUPQRUEGEY-UHFFFAOYSA-N 446.309 5.184 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnn(C(C)(C)C)c3)CCC2)cc1 1789453337 WNLXEIFOJZFFQE-QFIPXVFZSA-N 434.584 5.154 30 20 IKED CC1(C)CCC(CC(=O)NC2(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC2)CC1 1789577045 OYBMWOLERFXAFI-MTDXEUNCSA-N 449.595 5.439 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4nccn34)CCC2)cc1 1789625681 OJEZPHOLMAEYCA-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc[nH]c4nccc3-4)CCC2)cc1 1789626313 STXLMBXFAOZDHM-UHFFFAOYSA-N 430.552 5.255 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ncccc3C(F)(F)F)CCC2)cc1 1791249619 VSQBEFMBJHOHAD-OAHLLOKOSA-N 431.458 5.060 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1 1797777663 YRZUZXQYLFKOAY-WIYBCGNWSA-N 429.004 5.074 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](CC)c2ccccc2)[C@H]1c1cccnc1 1806273601 GTBMNTAVOUUQHJ-DSNGMDLFSA-N 447.623 5.274 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCC(F)(F)F)n[nH]1 1815568623 ABKZNBDTFKQVIQ-MRXNPFEDSA-N 428.499 5.127 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(F)cccc2Cl)n[nH]1 1820428873 CVDURXUSKCTUOA-LJQANCHMSA-N 444.938 5.277 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CSc2ccccc2)CC1 1826515657 OBWZVLWMFBMNQT-XMMPIXPASA-N 440.653 5.167 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(C)cccc3[nH]2)CC1 1828577555 SYMRQKMATOSLOZ-NVQXNPDNSA-N 447.623 5.478 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCn2cccc2)CC1 1828826811 MLSYZQWWGKEMGX-RPBOFIJWSA-N 439.644 5.047 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC2Cc3ccccc3C2)CC1 1828829669 KXRNXQHCMCYGII-SVBPBHIXSA-N 448.651 5.180 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1 1829068163 IPBOSGVTPDETAV-VWLOTQADSA-N 449.639 5.103 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2Cl)CC1 1829893563 WQQIKNBWSUPJCB-HSZRJFAPSA-N 429.004 5.342 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccccc2Cl)cc1 10827651 JQKUQPPIOIZAKR-UHFFFAOYSA-O 444.045 6.309 30 20 IKED COc1ccc2c(c1)CC/C(=C\c1csc(N(C(C)=O)c3ccc(F)cc3F)n1)C2=O 15188932 XHNKURQZJWHKDW-OQLLNIDSSA-N 440.471 5.327 30 20 IKED Cc1c(C#N)c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nc2c1CCC2 18457688 AZJRXERZVORJHO-NSHDSACASA-N 439.890 5.542 30 20 IKED C=CCn1c(SCC(=O)c2ccc(C(C)C)cc2)nnc1[C@H]1COc2ccccc2O1 21277385 UQNJOLKJSRRNKI-JOCHJYFZSA-N 435.549 5.075 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccccc2CC)cc1 22732173 QDOBSYQRLKOJFK-UHFFFAOYSA-O 437.560 5.434 30 20 IKED C=CCn1c(SCc2csc(-c3ccco3)n2)nc2sc3c(c2c1=O)CCC3 25514470 FAEXAMRHRBLFBP-UHFFFAOYSA-N 427.576 5.142 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 32785671 GOWVZIGEKLRGOG-MSOLQXFVSA-N 446.576 5.159 30 20 IKED COc1ccc(CCNc2nc(-c3cn(CCC#N)c4ccccc34)cs2)cc1OC 60472945 TWSHWNPHBMJSOT-UHFFFAOYSA-N 432.549 5.350 30 20 IKED COc1ccc(-c2nc(SC(c3ccccc3)c3ccccc3)nc(O)c2C#N)cc1 97251751 JKOUOOMSEYEYKW-UHFFFAOYSA-N 425.513 5.611 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccnc2N2CCCCC2)cc1Cl 107877289 MNOVJDUMDFKVRY-QFIPXVFZSA-N 430.939 5.633 30 20 IKED Cc1sc2nc(/C(Cl)=C\c3ccc(O[C@@H](C)C#N)cc3)[nH]c(=O)c2c1-c1ccccc1 110657547 JTKZXELYPMOSDM-BXUJETTOSA-N 447.947 5.988 30 20 IKED C=CCn1c(Sc2nc(C(F)F)nc3ccccc23)nnc1-c1ccccc1OC 111194147 NBOROIDRHXCQQP-UHFFFAOYSA-N 425.464 5.172 30 20 IKED C[C@@]1(c2ccccc2)CCCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 303539329 FYKZTKXMYKBQBH-HHHXNRCGSA-N 438.531 5.396 30 20 IKED Cc1nc(CCCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cs1 426713558 HXDLELDBVITACI-UHFFFAOYSA-N 425.941 5.517 30 20 IKED COC(=O)c1nc(NC(=O)c2ccccc2Sc2ccccc2C#N)sc1C1CC1 429495127 KBCRQXVETJTMHB-UHFFFAOYSA-N 435.530 5.082 30 20 IKED Cc1ccc(NC(=O)CCCC(=O)Nc2ccccc2C#N)c(OCc2ccccc2)c1 432467603 AQOZOVGZLBYBAX-UHFFFAOYSA-N 427.504 5.193 30 20 IKED Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1sc2ccc(C#N)cc2c1C 432800585 OKIXXKLLEGNAHV-OAHLLOKOSA-N 431.561 5.514 30 20 IKED Cc1cn(C2CCCCC2)nc1NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 434143498 SURWHCWOZUPYJJ-UHFFFAOYSA-N 443.551 5.986 30 20 IKED N#CCCn1cc(CN2CCc3sccc3[C@H]2c2cccs2)c(-c2ccncc2)n1 435138400 RIXPGZDOHBWNGI-QHCPKHFHSA-N 431.590 5.129 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(SCc2cccnc2)cc1)c1ccccc1 435747467 IKTXYNYFCXKCBA-HSZRJFAPSA-N 431.561 5.136 30 20 IKED C=CCOc1c(Br)cc(CNc2cc(NC(=O)N(C)C)ccc2C)cc1OC 435751177 QHSKEJDVVUJGCD-UHFFFAOYSA-N 448.361 5.037 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCc4cc(-c5cccc(F)c5)ccc43)cc2)nc1 437102876 ZPUAOFSEDOLRNX-UHFFFAOYSA-N 435.458 5.755 30 20 IKED Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 437820040 ITMVYZWTBDCYTG-ZCYQVOJMSA-N 444.579 5.171 30 20 IKED Cc1occc1C(=O)Nc1cc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)ccc1F 437849171 DGYNOUWOORATFF-OFNKIYASSA-N 446.482 5.283 30 20 IKED COc1ccccc1-c1noc([C@@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)n1 438054509 MWQSOYAQHQHVAI-HUUCEWRRSA-N 437.525 5.022 30 20 IKED N#CCC[C@H](NC(=O)c1oc2ccccc2c1CSc1ncccn1)c1ccccc1 439665039 QFKBAESLOOYPPU-FQEVSTJZSA-N 428.517 5.290 30 20 IKED N#CCC[C@@H](NC(=O)c1ccc(COc2cccc(Br)c2)o1)c1ccccc1 439679661 XRSMVIBSYRCSDT-HXUWFJFHSA-N 439.309 5.396 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(NC(=O)CC(C)C)c(F)c3)n2)cc1 442669952 DOFMTGCKYWEZIB-GOSISDBHSA-N 435.524 5.732 30 20 IKED Cc1nc(CNC(=O)c2cn(CCCC#N)c3ccccc23)oc1-c1ccc(Cl)cc1 444302593 RIBJXKHXDOYAEL-UHFFFAOYSA-N 432.911 5.492 30 20 IKED O=C(CN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1F 444744679 QNIVMSQOFGPZJJ-HNNXBMFYSA-N 426.307 5.205 30 20 IKED Cc1cccc([C@H]2NC(=O)N(c3ccc(OCc4cccc(C#N)c4)c(Cl)c3)C2=O)c1C 445948229 DQMBKFCSPMEGDG-HSZRJFAPSA-N 445.906 5.205 30 20 IKED Cc1ccc(NC(=O)NC[C@H]2CCCN(c3c(C#N)cnc4c(C)cc(C)cc34)C2)cc1 462798814 SZGKNRYHHAKBNP-HXUWFJFHSA-N 427.552 5.070 30 20 IKED COc1cc(C)c(Br)cc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 462853966 RQGDQZGXXPYXTR-APWZRJJASA-N 428.330 5.070 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc(Oc4ccccc4)ccn3)c2)c1 465066675 OITLVDMRKYVVJK-UHFFFAOYSA-N 434.455 5.250 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cn(Cc3cccc(F)c3)nn2)cc1Cl 469048613 UTVGTVOYVSDBEG-OAQYLSRUSA-N 445.885 5.027 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3nnc(-c4cc5ccccc5o4)s3)CC2)cc1 470505694 ARAOJOJYUUJPLW-UHFFFAOYSA-N 427.489 5.144 30 20 IKED C[C@@H](NC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)c1ccc(C#N)cc1 471952178 GXGQTVQVJGRLGA-OAHLLOKOSA-N 432.351 5.317 30 20 IKED N#CCCn1cc(CNc2ccc(N3CCCCC3)c3ncccc23)c(-c2ccncc2)n1 475358701 QZJKNAVJEZWECX-UHFFFAOYSA-N 437.551 5.009 30 20 IKED COc1c(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)oc2ccccc12 476697912 WCHFQCKAQVPDES-UHFFFAOYSA-N 428.513 5.535 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccncc3Br)cc2Cl)c1 477015386 FXTDLJQKRTVTGY-UHFFFAOYSA-N 442.700 5.200 30 20 IKED C=CCn1c(SCc2nnc(-c3cc(C)c(CC)s3)o2)nnc1-c1cccs1 481386190 HLAJBSAYXRJTFY-UHFFFAOYSA-N 429.596 5.467 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(CCC(=O)N4CCCC4)cc3)c2)cc1 483325015 MRXYEEWFVKQKRG-UHFFFAOYSA-N 439.515 5.158 30 20 IKED C[C@@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)Oc1ccccc1Br 483625774 NMSFBEJMYIMMER-CABCVRRESA-N 448.386 5.290 30 20 IKED Cc1ccc(NCc2nnc(-c3cccc(C#N)c3)o2)cc1OCc1cccc(Cl)c1 488139960 ZSBZHHWBKJWTLF-UHFFFAOYSA-N 430.895 5.761 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nc(C(F)(F)F)ccc2C#N)c1 488783801 OJPGSZRZJVXHBC-OAHLLOKOSA-N 432.471 5.016 30 20 IKED C=CCn1c(S[C@@H](CC)C(=O)c2ccc(NC(C)=O)cc2)nnc1-c1ccccc1C 488935172 RNTRSVOYORTGDA-NRFANRHFSA-N 434.565 5.152 30 20 IKED C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2F)nnc1-c1cccc(Cl)c1 489633487 XXZMDKYKGIYJQS-UHFFFAOYSA-N 437.327 5.308 30 20 IKED C=CCN(C(=O)c1cccc2ccccc12)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491060716 XMYRUCCRQZMBID-UHFFFAOYSA-N 448.569 5.200 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)c3ccccc3NCc3ccccc3Cl)CCO2)c1 497710526 KLTSDSOPTRRHLL-DEOSSOPVSA-N 431.923 5.037 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 499598690 WMWWDUHMEQSWDJ-IBGZPJMESA-N 442.523 5.066 30 20 IKED C=CCc1cc(-c2nc(-c3ccc(NC(C)=O)c(C(F)(F)F)c3)no2)cc(OC)c1OC 499626026 NWNZKBABIIUXLY-UHFFFAOYSA-N 447.413 5.127 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 502098660 IYZQKZSEYPGMKT-HNNXBMFYSA-N 444.878 5.353 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3C[C@H]3c3cccc4ccccc34)s2)cc1 503073527 LZHKGPXKAFQSSR-SFTDATJTSA-N 442.569 5.597 30 20 IKED C=CCOc1ccccc1C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 503447568 KZCJJXXKLDXHJH-UHFFFAOYSA-N 426.516 5.026 30 20 IKED N#C[C@H](C(=O)c1cc2c(s1)CCOC2)c1nc(-c2ccc(Cl)cc2Cl)cs1 503579153 JQXNWEMBHFDQQX-CYBMUJFWSA-N 435.357 5.741 30 20 IKED Cc1ccc2nc(COc3ccccc3C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cn2c1 503877266 UCRSRPJDILIQNS-UHFFFAOYSA-N 448.526 5.023 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC3(c4ccc(F)cc4)CCOCC3)cc2)cc1 504055225 KFXTYDAMYFSYJZ-UHFFFAOYSA-N 431.467 5.317 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4nc(C)c(SCC#N)s4)cc3)o2)c1 504819177 OXQYSVHGSIJABQ-UHFFFAOYSA-N 447.545 5.345 30 20 IKED CCOc1ccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 507827901 SLKHDOGZWFAATR-KRWDZBQOSA-N 431.492 5.197 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2sc(C)nc2-c2ccc(C)cc2)cc1 508143213 SEEKNNUYCJITHT-UHFFFAOYSA-N 445.588 5.422 30 20 IKED N#CCCCCNC(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 508398305 BZHXDCIGRVPPGZ-UHFFFAOYSA-N 445.394 5.104 30 20 IKED CCOc1ccc(C2=CCN(CC(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)cc1 509495287 YGGNLVQTOIKYMG-LJQANCHMSA-N 435.593 5.207 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H]3c3ccccc3Cl)c2)cc1 511582576 VFBPNHMXNCOOMR-RUZDIDTESA-N 445.950 6.354 30 20 IKED C=CCN(C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1nc2c(s1)CCCC2 512965961 FJXXLANROHKWBS-UHFFFAOYSA-N 436.027 5.622 30 20 IKED COc1cc(Cl)c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1OC 513782935 ODOPKYGNNBOZCZ-UHFFFAOYSA-N 444.862 5.634 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccccc2C)nnc1-c1ccc(Cl)cc1 514357247 BGMBSABGBNVGNL-DLBZAZTESA-N 441.000 5.451 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cnn1-c1ccc(Cl)cc1 516713611 BPIMJXUELYJLQD-LJQANCHMSA-N 443.919 5.319 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 517461176 BQYDCWRVAGUTRG-HTAPYJJXSA-N 447.526 5.331 30 20 IKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 518516651 QUIUTXUGJLZIAT-INIZCTEOSA-N 448.573 5.526 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1cccc2ccccc12 518673242 VOQLMFTXLXROPR-QFIPXVFZSA-N 429.545 5.148 30 20 IKED CC(C)[C@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)N1CCc2ccccc2C1 518685088 YUROAMUDFIHHMI-XXBNENTESA-N 436.625 5.143 30 20 IKED Cc1c(Cl)cc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1Cl 519061332 WGHSPKGMJLOJGO-UHFFFAOYSA-N 445.306 5.277 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 522072512 RJKBZUUCISWICO-INIZCTEOSA-N 436.556 5.970 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cnc2c(cnn2CC(C)C)c1 522121914 KLUQNNDIWVLUAX-UHFFFAOYSA-N 441.510 5.254 30 20 IKED Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)CN(C)CC#N)c2C#N)C(C)(C)C1 532528010 LHMIGICEBBRNFL-AATRIKPKSA-N 436.606 5.162 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 532643703 ANJZESNYPUTEDE-UHFFFAOYSA-N 445.342 5.037 30 20 IKED C[C@@](C#N)(CCc1ccccc1)NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 532687241 DCXKAIQXWVNGLQ-QHCPKHFHSA-N 437.952 5.299 30 20 IKED CCOc1ccc([C@H](C)NC(=O)CCCNC2CCC(C#N)(c3ccccc3)CC2)cc1 539119364 BGMQOWDINSREBQ-VVJOPDHISA-N 433.596 5.036 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 540198234 IZGXFMPTRWBJSG-UHFFFAOYSA-N 443.506 5.010 30 20 IKED Cc1nc(-c2ccc([C@@H](C)N[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)cc2)cs1 540377096 VOEKTARMTOCRQI-IAGOWNOFSA-N 436.556 5.244 30 20 IKED CC[C@@H](c1ccccc1)c1nnc(NCc2cn(CCC#N)nc2-c2ccccc2)s1 540791388 WQAUREMFWKALNZ-NRFANRHFSA-N 428.565 5.469 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1ccccc1C#Cc1ccccc1 540858949 RIALRRDBZFTURP-INIZCTEOSA-N 425.454 5.204 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cc(Cl)ccc2Br)n1 542017795 JMBGDENYAKBOAQ-UHFFFAOYSA-N 436.096 5.066 30 20 IKED C[C@@H](NC(=O)NCc1ccc(N2CCCCC2)nc1)c1ccc(-c2cccc(C#N)c2)cc1 542981931 FUMUTWGESYBLFM-HXUWFJFHSA-N 439.563 5.171 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)c(C)c1 551101042 FMQKELPPJDDXJI-CYBMUJFWSA-N 446.370 5.097 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)Cc1cncc2ccccc12 553955342 HQUIGMRROUKTLO-HXUWFJFHSA-N 435.527 5.811 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 554463410 LSGQEUJOGFUUNS-LWRMFSKNSA-N 442.559 5.157 30 20 IKED Cc1ccccc1C1(CNC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)CCCCC1 557739464 ZERJBKMZGBPJEC-FQEVSTJZSA-N 449.620 5.346 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N(C1CC1)C1(C#N)CCC1 560118041 XMPTXSABKARSHB-UHFFFAOYSA-N 434.565 5.076 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1c(Cl)ccc2cccnc12 563322200 ZXXHQBMBFOIQHC-HNNXBMFYSA-N 442.009 6.012 30 20 IKED COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1cc(C#N)c2ccccc2n1 574557144 JCJLNBVAEFGTQR-UHFFFAOYSA-N 443.484 5.031 30 20 IKED N#Cc1c[nH]c2c(F)c(F)c(F)cc2c1=NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 587165202 VZILBNZZEDCBDW-IUCAKERBSA-N 441.297 5.267 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Cc2cccc(OCc3ccccc3Cl)c2)cc1 592015151 ASYFQBAEQGMNFG-UHFFFAOYSA-N 449.938 5.408 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)c1nc2cc(F)ccc2s1 592973412 FSVORNITNUMFGA-OAHLLOKOSA-N 445.454 5.041 30 20 IKED N#Cc1c(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)sc2c1CCCC2 603463670 VCHWJCOHTRCUPA-UHFFFAOYSA-N 434.418 5.094 30 20 IKED C[C@@H](NC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1)c1ccc(C#N)cc1 603755382 QPNZIVGLWWHRMI-OAHLLOKOSA-N 448.320 5.064 30 20 IKED C[C@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)C(=O)N[C@H](C)c1ccc(F)cc1 603818323 AWSQGWZWZFYQLO-CABCVRRESA-N 435.524 5.199 30 20 IKED COC(=O)c1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 603838872 QEKZTYMJERSHBM-HNNXBMFYSA-N 431.300 5.394 30 20 IKED COc1cc2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)[nH]c2c(OC)c1OC 604458589 KPWDDOIIHFVHNP-UHFFFAOYSA-N 443.459 5.110 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccnc(N4CCCCC4)c3)cc2)cc1 604461342 DWPFZSOBQAOPKH-UHFFFAOYSA-N 427.508 5.058 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3cc(C4CC4)nc4c3c(C)nn4C(C)(C)C)[nH]c12 605363688 ZOSHGSDZJFOBBJ-QGZVFWFLSA-N 426.524 5.047 30 20 IKED CCN(CC)[C@@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccco1 609078635 DQPZSLKBXRWFBM-DEOSSOPVSA-N 446.551 5.243 30 20 IKED COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 609078822 QIJKURURRCSAFN-SFHVURJKSA-N 445.519 5.346 30 20 IKED CCN(Cc1cccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1)C(C)=O 609298025 VXOPPXSTXUNXKZ-UHFFFAOYSA-N 431.467 5.110 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 609387057 IEXPJCGCTZTMAR-HNNXBMFYSA-N 449.542 6.275 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCS[C@@H](c4ccccc4)C3)c2)c1 609807920 XYLQLSHBCOONIL-HSZRJFAPSA-N 442.544 5.133 30 20 IKED N#Cc1cc(NC(=O)NCCCCn2ccnc2)ccc1Oc1ccc(C(F)(F)F)cc1 610331723 MQSWCEQPSIZAEV-UHFFFAOYSA-N 443.429 5.168 30 20 IKED CC(C)n1c([C@H]2CCCN(C(=O)c3c(Cl)cc(C#N)cc3Cl)C2)nc2ccccc21 611094522 MQLKXYBKJVQMSY-INIZCTEOSA-N 441.362 5.815 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C)nnc1-c1cccc(C)c1 617939622 QBSHVHWKNAFGCY-MRXNPFEDSA-N 426.973 5.521 30 20 IKED C=CCNC(=O)Nc1ccc(N[C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)cc1 630026877 SOSUWUZQHVEBQO-DEOSSOPVSA-N 444.535 5.103 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2sc(-c3ccccc3)nc2C(F)F)cc1 677746259 VOLUSTCAHYXJEZ-UHFFFAOYSA-N 428.464 5.308 30 20 IKED C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 679502113 XZASHUVYFUXEHW-ICCXJUOJSA-N 436.318 5.019 30 20 IKED C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N/[C@H](C)c1cccs1 726419032 GOYMOSMANYRKLX-NYEWQZJRSA-N 448.013 5.286 30 20 IKED Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=S)Nc1ccc(C#N)c(Cl)c1 726455556 OQOCNICFDZEGHX-UHFFFAOYSA-N 436.972 5.314 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCc3c(Br)cccc32)cc1 727934363 GBVGNUCRPLMMQH-GGAORHGYSA-N 446.348 5.914 30 20 IKED C#CCN1CCC(C(=O)Nc2ccc(Oc3ccnc4cc(Cl)ccc34)c(F)c2)CC1 728009307 ZACGPTUSRRLKBZ-UHFFFAOYSA-N 437.902 5.103 30 20 IKED O=C(O[C@H](c1cc(Br)ccc1F)C(F)(F)F)c1ccc(C(F)(F)F)nc1 730405768 LXAAPCZRMKSVND-GFCCVEGCSA-N 446.116 5.462 30 20 IKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CCC2)c1C 730460081 UKQRWPVAQKKTOC-FQEVSTJZSA-N 443.519 5.094 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1 730896879 XYCVQWAWOGTIFH-VXKWHMMOSA-N 439.437 5.216 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2sc3cc(Cl)ccc3c2Cl)ccc1OC 733227666 CIKMHHFAAXYRQZ-CQSZACIVSA-N 449.359 5.828 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](c2ccccc2)C2CCCCC2)ccc1OC 733642125 BXIJYTYDJIFVDW-RCZVLFRGSA-N 435.568 5.497 30 20 IKED N#CCCN(C(=O)CCC(=O)OC1c2ccccc2Oc2ccccc21)c1ccccc1 733683349 IYAQDDINLFZVLM-UHFFFAOYSA-N 426.472 5.152 30 20 IKED CCN(CC)c1ccc(-c2nnc(SCc3cc(Cl)ccc3OCC#N)o2)cc1 735230502 MIVFZHIGZKSZPV-UHFFFAOYSA-N 428.945 5.431 30 20 IKED O=C(O)c1ccccc1COc1cccc(/C=C\C(=O)c2c(Cl)nc3ccccn23)c1 737445878 HRJUDBSMJZHJNZ-QXMHVHEDSA-N 432.863 5.161 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CC[C@@H]2c2cccc(F)c2)c1=S 743389151 IIEKQUZQGSANTJ-HXUWFJFHSA-N 444.963 5.376 30 20 IKED N#C[C@@H](C(=O)Cc1ccc(NC(=O)C2CC2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 744037847 FZXOKJQALBTSRD-INIZCTEOSA-N 443.450 5.083 30 20 IKED CCOc1c(Cl)cc(C=NO[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1OC 749538027 JSVRGPQGPOZAFY-GFCCVEGCSA-N 444.837 5.144 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)c3cc(-c4ccccn4)nc4ccccc34)n2)c1 752376405 ORJBYBRFTZARTL-UHFFFAOYSA-N 433.496 5.544 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc2ccccc2nc1Br 760185245 ALFGVJDPXZXIAN-PXNSSMCTSA-N 435.325 5.301 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1csc(-c2ccc(F)cc2)n1 764752693 SGFORTWSKXTOQA-UHFFFAOYSA-N 437.283 5.277 30 20 IKED CCN(C[C@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1)CC(F)(F)F 775489151 SKKACVIZSOOTQX-XMSQKQJNSA-N 444.501 5.080 30 20 IKED CN(C)c1ccc(C2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)CC2)cc1 775507060 GWRQJZPZMUGJON-UHFFFAOYSA-N 441.535 5.223 30 20 IKED C[C@@H](OC(=O)c1ccccc1Oc1ccccc1C#N)C(=O)N1CCC[C@@H]1c1cccs1 778180219 BWOAHYQVMCODRC-YLJYHZDGSA-N 446.528 5.321 30 20 IKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Nc1ccccc1O[C@H](C)C#N 780164141 NKSNLNHKNIYLOY-CYBMUJFWSA-N 443.334 5.268 30 20 IKED C[C@@H](OC(=O)C1(c2ccc(C#N)cc2)CC1)c1ccc(N(C)Cc2ccccn2)c(F)c1 781489666 NRGOBGOXASSQRY-GOSISDBHSA-N 429.495 5.065 30 20 IKED C=C[C@@](C)(CCOC)C(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1 782443469 LNJHQDMMZLUCAM-QHCPKHFHSA-N 430.570 5.025 30 20 IKED C[C@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1nnc(-c2ccccc2F)s1 783439985 HLPBMVACSLPYFO-AWEZNQCLSA-N 449.463 5.306 30 20 IKED N#C[C@H](C(=O)Cc1cccc(N2CCCC2=O)c1)c1nc(-c2ccc(Cl)cc2)cs1 786311880 NUIDNBFXAGRUFV-LJQANCHMSA-N 435.936 5.009 30 20 IKED COc1ccc([C@H](C)CC(=O)[C@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 787050780 MDGVWWHLOMTUOC-LPMFXHHGSA-N 433.335 5.082 30 20 IKED Cc1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC(C)C 787600875 MOGJEXHUEWKVKH-QHCPKHFHSA-N 427.504 5.015 30 20 IKED N#CCCn1cc(/C=C2/CCc3c(Cl)sc(Cl)c3C2=O)c(-c2ccncc2)n1 788355017 KUZKLXQQWOIFAE-RAXLEYEMSA-N 429.332 5.440 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 789146609 BHZWJMGOEFRFMB-HXUWFJFHSA-N 437.450 5.016 30 20 IKED CC(C)(C)OC(=O)N1CCc2ccc(C(=O)[C@@H](C#N)c3nccc4ccccc34)cc2CC1 792090250 CRRBSVDATUEDNQ-QHCPKHFHSA-N 441.531 5.061 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1Br 793123669 IXEOTAJPZXSWKJ-LLVKDONJSA-N 426.097 5.026 30 20 IKED C=C(C)CN(Cc1ccccc1)Cn1nc(-c2ccccn2)n(Cc2ccco2)c1=S 794649695 DDNAJSIECOGTOL-UHFFFAOYSA-N 431.565 5.153 30 20 IKED COc1c(C)cc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1Cl 794725433 XKVSEFIUZUGKGP-TWGQIWQCSA-N 444.915 5.833 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)sc2ccc(C#N)cc12 796807783 NSPHWPAZAIAYRZ-AWEZNQCLSA-N 435.480 5.973 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)N(C)CC(F)(F)F 798816451 LVUVJTVKXPHGEJ-JOYOIKCWSA-N 436.286 5.176 30 20 IKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC)cc1 799222448 YPVZOLKZOASUMB-IBGZPJMESA-N 445.972 5.027 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](F)c3ccc(C(F)(F)F)cc3)n2)cc1 802052946 HENMQDSXXJEEFW-SJLPKXTDSA-N 434.414 5.725 30 20 IKED Cc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cccc(Cl)c2Cl)cc1 802709225 KRKDRLPMJMLWAB-UHFFFAOYSA-O 441.363 5.784 30 20 IKED CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)N[C@@H](CCC#N)c3ccccc3)cccc21 807006270 VWLGDXWUUICWTF-QFIPXVFZSA-N 448.567 5.219 30 20 IKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@@H](C)c3ccccn3)C2=O)cc1 837517049 JLLWRUPOIYUTLL-PGRDOPGGSA-N 444.560 5.112 30 20 IKED Cc1sc2ncn(N=Cc3ccc(-c4ccccc4Br)s3)c(=O)c2c1C 912786196 BYUZETXFOCESFR-UHFFFAOYSA-N 444.379 5.448 30 20 IKED Cc1nc(-c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)co1 914605970 OUQWOVCMIIOMTB-UHFFFAOYSA-N 425.513 6.066 30 20 IKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(C3CCCC3)C2=O)cc1 916204823 CGVBAINAXZDYIH-QFIPXVFZSA-N 449.576 5.101 30 20 IKED N#C[C@@H](C(=O)COc1ccc2ccccc2c1)c1nc2cc(C(F)(F)F)ccc2s1 917042900 IVHAIPUVNHHUDF-KRWDZBQOSA-N 426.419 5.724 30 20 IKED C[C@H](NCc1ccc(N(C)CCC#N)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 917399742 BLZLGHPGRYCSJQ-IBGZPJMESA-N 430.527 5.279 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(Cc2ccccc2)[C@@H](C)C2CC2)c1=S 917438516 XMYKHTHPOUHGKT-IBGZPJMESA-N 434.609 5.534 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 918040444 RRJIXYBSUMNCLN-UHFFFAOYSA-N 432.568 5.407 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)c2C#N)C1 919977793 DZWLDDJPHZCWCZ-GFCCVEGCSA-N 430.455 5.201 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@@H](C)Sc1ccc(Br)cc1 920105706 LCRWMKNLVNEYTI-CXAGYDPISA-N 441.350 5.311 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4cccnc4n3)cc2)CCC1 1789243440 AQRWWVYPMSZSBQ-JOCHJYFZSA-N 440.547 5.146 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)Cc3cccc4ncccc34)CCC2)cc1 1791726216 HWMVBBBFWVELDV-UHFFFAOYSA-N 439.559 5.105 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccc(Cl)cc3)CC1)C2 1792572598 IUFRAGLTTBMVEQ-WKCHPHFGSA-N 429.004 5.002 30 20 IKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1cccc(C(F)(F)F)c1)C2 1793049035 LTBIJUSTGUXZAC-JRCSXWAFSA-N 446.513 5.125 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(C)cccc2C)[C@@H]1c1cccnc1 1810504027 VIQYJOZTEARAHD-ISKFKSNPSA-N 433.596 5.010 30 20 IKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](CCC)CC2)[nH]n1)C(F)(F)F 1821995331 WLMBBWWLUBYPLR-JFIYKMOQSA-N 440.510 5.127 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(F)cc2)CC1 1831689659 KBMYUCKKADWIJY-DQEYMECFSA-N 440.603 5.146 30 20 IKED CC(C)=CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832633336 GRUUTGXEEUZRHM-SQJMNOBHSA-N 435.612 5.293 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cccc(Cl)c1)=C(/S)Nc1ccc(F)c(Cl)c1 10756006 SSCKWHMBUYGRQJ-UHFFFAOYSA-O 448.370 6.033 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(OC)cc1)=C(/S)Nc1ccc(Cl)cc1 10833053 WZEMTFYFRMFAFT-UHFFFAOYSA-O 425.961 5.249 30 20 IKED C=CCn1c(SCc2cc(-c3ccc(OC)cc3)no2)nnc1-c1ccc(OC)cc1 11390187 ICLYQKOSKFFPGH-UHFFFAOYSA-N 434.521 5.096 30 20 IKED C=CCn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccc(C(C)(C)C)cc1 14101778 LKMADUSOYJSENP-UHFFFAOYSA-N 437.594 5.093 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1ccc(Cl)cc1 16862796 KPPSXSBOBRCVDJ-MRXNPFEDSA-N 426.973 5.521 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc3ccccc3c2)nnc1-c1ccc(F)cc1 22100878 TXOHRXGJYSSHHY-MRXNPFEDSA-N 432.524 5.543 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)[C@@](C)(Cc1nc2ccccc2s1)c1ccccc1 25104995 FZIIHVMQPAMLFE-SANMLTNESA-N 425.557 5.327 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 63402001 HJPVBTCIWZUEPH-LJQANCHMSA-N 446.507 5.028 30 20 IKED COc1ccc2[nH]cc(C3CCN(CC(=O)c4cn(CCC#N)c5ccccc45)CC3)c2c1 108970558 NYEGIHVFFYCUNH-UHFFFAOYSA-N 440.547 5.107 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc2ccccc2nc1C 195570094 AHJHHUBTGLDKPF-UHFFFAOYSA-N 437.956 5.240 30 20 IKED CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@H](CCCC#N)c2ccccc2)CC1 432627976 XVHXJIUZFGLEGQ-OAQYLSRUSA-N 439.991 5.039 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)C3CCC(C(F)(F)F)CC3)s2)cc1 435634785 CYKUPGJZHRNUBD-UHFFFAOYSA-N 426.489 5.009 30 20 IKED C=CCn1c(SCc2nc(-c3ccccc3)cs2)nnc1[C@H]1COc2ccccc2O1 435687190 ZPWCARYAUPOOAR-HXUWFJFHSA-N 448.573 5.392 30 20 IKED Cc1cc(C#N)ccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 439127831 LHJOHSSKULVOFB-UHFFFAOYSA-N 429.907 5.252 30 20 IKED C=CCN(C(=O)c1ccn(CCOC)n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 439204854 ZNIZIGOUXNUXHJ-UHFFFAOYSA-N 444.560 5.153 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)Nc2cc(C)ccc2SCC(F)(F)F)c1 439350829 COIATPCLSPPZLN-UHFFFAOYSA-N 438.471 5.182 30 20 IKED CCCc1c(NC(=O)c2ccc(Br)cc2Cl)cnn1-c1cccc(C#N)c1 440080738 YNPRIPIDQDJQAJ-UHFFFAOYSA-N 443.732 5.365 30 20 IKED C=CCC[C@@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ccc(C(F)(F)F)cc1 441568544 QNSGQZFLKAUXBZ-OAQYLSRUSA-N 430.470 5.265 30 20 IKED Cc1ccc(CN(Cc2ccco2)C(=O)c2ncc(C#N)cc2Cl)c(Br)c1 443041798 BIQGNWYMVMXGJX-UHFFFAOYSA-N 444.716 5.113 30 20 IKED N#CC(CCN1CCC2(CC1)C[C@@H]2C(=O)N1CCCCC1)(c1ccccc1)c1ccccc1 444690608 UPUIJONGIKWGES-AREMUKBSSA-N 441.619 5.001 30 20 IKED N#C[C@H](C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1cc(C(F)(F)F)ccn1 464459956 JYJOBGCZKPHXPA-SFHVURJKSA-N 428.797 5.475 30 20 IKED N#CCCCOc1cccnc1NC(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 466618402 FZPNYDDEWMNNNO-OAHLLOKOSA-N 446.351 5.208 30 20 IKED CC(C)(C)OC(=O)CCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 466629722 WJGRPIDJBGKHNQ-LJQANCHMSA-N 427.932 5.239 30 20 IKED CC(C)c1ccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1Cl 467276285 ZYLXGESESSRCMA-HNNXBMFYSA-N 425.941 5.543 30 20 IKED Cc1ccc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)c(OC[C@@H]2CCCO2)c1 467470631 VYJHTZDJBXVLKZ-ICSRJNTNSA-N 439.581 5.126 30 20 IKED CC(=O)Nc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1F 469411468 GFLMWVFOZCPADY-UHFFFAOYSA-N 425.407 5.061 30 20 IKED CSc1cccc([C@@H](NCc2nnc(-c3cccc(C#N)c3)o2)c2cc(F)ccc2F)c1 471642585 DADUCSKQWBMXAF-HSZRJFAPSA-N 448.498 5.488 30 20 IKED N#CCCn1cc(C(=O)CN2CCCC[C@H]2c2nc(-c3ccccc3)no2)c2ccccc21 472257564 LAPQTWUVPCNYDC-QHCPKHFHSA-N 439.519 5.015 30 20 IKED C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 473551006 MMAHUHOTHPRVMY-FZEVHQGJSA-N 432.545 5.116 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1c2c(nn1C(C)C)CCC2 473806521 NWLJXJKRPXCZTC-UHFFFAOYSA-N 435.341 5.074 30 20 IKED COc1ccccc1-c1csc(C2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)CC2)n1 477023724 YGYSDOONNQWZCW-UHFFFAOYSA-N 445.588 5.640 30 20 IKED Cc1coc(-c2cc(NC(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)ccc2C)n1 478001889 ZLPABXMDUQEKRG-UHFFFAOYSA-N 434.471 5.045 30 20 IKED CCc1c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cnn1C(CC)CC 482708317 UXVAUBBTUDPMBJ-UHFFFAOYSA-N 432.593 6.223 30 20 IKED Cc1ccccc1NC(=O)[C@@H]1CCc2ccccc2N1C(=O)c1ccc(C(C)(C)C#N)cc1 483467543 ZITNQXUVHAYESI-VWLOTQADSA-N 437.543 5.397 30 20 IKED N#Cc1c(F)cccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 488706703 UBMMAVLZYZUJKJ-UHFFFAOYSA-N 433.870 5.082 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccc(C)cc1 489619238 PCUBSMJSOVOIHN-KRWDZBQOSA-N 441.000 5.829 30 20 IKED CN(Cc1ccc(Br)o1)C(=O)c1ccccc1Sc1ccccc1C#N 498185744 LVBGTLVEPMLHHW-UHFFFAOYSA-N 427.323 5.337 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(OCCCC#N)c2)cc1C 498777575 BWPUYAQTRYTCIO-UHFFFAOYSA-N 427.508 5.016 30 20 IKED COc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1Oc1ccc(C)nn1 500088210 HGUFZUONNQBUSW-UHFFFAOYSA-N 445.523 5.148 30 20 IKED Cc1nc(-c2ccc([C@@H](C)NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2)cs1 502398399 GCMPJEDYMJCKBC-QGZVFWFLSA-N 428.561 5.550 30 20 IKED Cc1csc(Sc2ccc(NC(=O)Nc3cccc(OCCCC#N)c3)c(C)c2)n1 502517611 ISOVFEJXPBMUQW-UHFFFAOYSA-N 438.578 6.238 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1c(CC)nn(-c2ccccc2)c1CC 503395447 DAZHFNAVJPQFQJ-UHFFFAOYSA-N 448.615 5.062 30 20 IKED N#C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)c1nc(-c2c(F)cccc2F)cs1 505439295 WOHBQHIXOVKVMI-GFCCVEGCSA-N 439.365 5.233 30 20 IKED N#C[C@@H](NC(=O)CSCc1coc(-c2ccccc2)n1)c1ccc(Cl)c(Cl)c1 505916725 IAQGGDTXRVGXBD-GOSISDBHSA-N 432.332 5.263 30 20 IKED C[C@H](S[C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NCC(F)(F)F 506232959 NBBHNQZWXLXXLO-YUMQZZPRSA-N 427.332 5.585 30 20 IKED C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCC(Nc2cccc(OC)c2)CC1 508854739 DLWNSRRAOFGUSZ-UHFFFAOYSA-N 449.624 5.154 30 20 IKED Fc1ccc(-c2nc(CN[C@H](c3ccc(OC(F)F)cc3)C(F)(F)F)co2)cc1F 510421230 UXWMPQAIKRURAP-MRXNPFEDSA-N 434.311 5.614 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H]3c3ccccc3Cl)c2)cc1 511582577 VFBPNHMXNCOOMR-VWLOTQADSA-N 445.950 6.354 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CC[C@H](n3ncc4ccccc43)C2)cc1Cl 511720557 QASNATQILMBLTR-FQEVSTJZSA-N 442.906 5.441 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)c1 513101662 HOHMQIPUCSSBOP-UHFFFAOYSA-N 435.483 5.922 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)c1nc2ccccc2s1 513691450 CTUJKQVSLNVORG-HNNXBMFYSA-N 439.949 5.784 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)cc12 515597294 HUWPCWXFILPGRB-QGZVFWFLSA-N 430.464 5.225 30 20 IKED N#C[C@H](C(=O)c1cccc(OCc2cccc(Cl)c2)c1)c1ccc(C(F)(F)F)cn1 516267188 YAYQXAGPLPUMIH-IBGZPJMESA-N 430.813 5.823 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2C2CCCC2)cc1Cl 517325483 QLTMWVNFKFUOAZ-JTHBVZDNSA-N 435.955 5.115 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC 517530591 YFRHAUBHRYTEJZ-LPHOPBHVSA-N 425.554 5.467 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Br)c4c(c3)OCO4)n2)cc1 517793158 MLWFCSXADADYSA-CQSZACIVSA-N 441.306 5.100 30 20 IKED COc1cc(C)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1C 518643801 WYMTYDHLCUGKSQ-UHFFFAOYSA-N 444.500 5.137 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC3CCN(Cc4ccccc4)CC3)cc2)c1 520939251 ORQDTQMZUHMSII-UHFFFAOYSA-N 426.520 5.137 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(OCc2cccc(F)c2)cc1 521809044 UFFYRCPJPXJHAY-SFHVURJKSA-N 449.551 6.121 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)NCc3ccc(OCC(F)(F)F)cc3)c2)cc1 522306347 KSSHTNDVOGPNOU-UHFFFAOYSA-N 440.421 5.008 30 20 IKED Cc1ccc(Nc2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2)nn1 523046883 PVRYIJKSDPUJMW-HXUWFJFHSA-N 436.500 5.014 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc3c(nc2O)CCCCC3)cc1Cl 523123655 WIKCCBPMIMYQHU-OAQYLSRUSA-N 431.923 5.617 30 20 IKED C[C@H]1CCCCN1Cc1ccccc1CNC(=O)c1occc1COc1cccc(C#N)c1 523273418 HPUZOSHSCWACSE-FQEVSTJZSA-N 443.547 5.035 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CO[C@H]2CCC[C@H](C)C2)c1 524044829 JRFYSNPHVOIHAD-CPJSRVTESA-N 435.568 5.334 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1NC(=O)NC(C)(C)C 524628552 ZDUDBLKYJSLXRH-HNNXBMFYSA-N 439.466 5.150 30 20 IKED COc1cc(CN(C)[C@H]2CCCc3nc(C)sc32)ccc1OCc1cccc(C#N)c1 533386170 JLIMOALNQLQOGV-QFIPXVFZSA-N 433.577 5.420 30 20 IKED C=C(C)[C@@H](CC(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C)OCC 533706447 RHADCWWLVZMAFS-SUMWQHHRSA-N 437.403 5.430 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1c(F)cc(C)cc1I 537805195 WQJHJIVIWPECPW-UHFFFAOYSA-N 442.247 5.098 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1 539447451 ZWNDGODBHMSCIG-GMAHTHKFSA-N 435.430 5.280 30 20 IKED COCCOc1ccc(C#N)cc1N[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 541259666 QDWVCZLFIQPNDV-GFCCVEGCSA-N 433.295 5.113 30 20 IKED CCCOc1ccc(C(=O)c2ccccc2C(=O)N2CCC(CC#N)CC2)cc1OCCC 543833655 PZDVWNPDQGUVTE-UHFFFAOYSA-N 448.563 5.261 30 20 IKED C[C@H](Oc1ccccc1C#N)c1nc(-c2ccc(NC(=O)Nc3ccccc3)cc2)no1 544057497 MMHCPDYBLQXBLI-INIZCTEOSA-N 425.448 5.392 30 20 IKED Cc1nn(CC(F)(F)F)cc1-c1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 546991604 JUIIJORTAJFYDW-UHFFFAOYSA-N 444.257 5.508 30 20 IKED Cc1nccc(CCC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)n1 551177367 JROJTVGFBTVPRV-UHFFFAOYSA-N 426.398 5.039 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CC[C@@]4(CCN(Cc5ccccc5)C4)C3)c2)cc1 552684310 HVINRWRTWNIWIC-MUUNZHRXSA-N 437.543 5.089 30 20 IKED CC1(C(=O)NCCCc2c[nH]c3ccccc23)CCN(c2ccc(Cl)cc2C#N)CC1 552953542 VGTWVYKQGHWXNP-UHFFFAOYSA-N 434.971 5.048 30 20 IKED N#Cc1cc([N+](=O)[O-])c(N[C@@H]2CCc3c(O)cccc32)cc1N[C@@H]1CCc2c(O)cccc21 553401610 RNXWXXCIJVXNRZ-WOJBJXKFSA-N 442.475 5.076 30 20 IKED CCC(C)(C)NC(=O)c1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)cc1Cl 556338955 WSUWNIHHOUDPRV-UHFFFAOYSA-N 449.986 5.648 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(OCc2cccc(F)c2)cc1C 558322780 BGYUQCUOOCPMDY-UHFFFAOYSA-N 438.499 5.409 30 20 IKED N#Cc1cccc(-c2cnc(CNC(=O)c3ccc(-c4cccc5cccnc45)cc3)[nH]2)c1 560587488 DYSFBWQYFDKZBS-UHFFFAOYSA-N 429.483 5.094 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1 561186152 XQQPXMULOSOSOU-ZNZIZOMTSA-N 438.527 5.304 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCCC[C@@H]3c3nnc(C4CCC4)o3)s2)cc1 564139130 QQLHUSXYQNKNRQ-LJQANCHMSA-N 448.552 5.015 30 20 IKED COc1cc(CN[C@H](C)c2sc(-c3ccccc3Br)nc2C)ccc1C#N 578286399 VVAUSACAEOUBKE-CYBMUJFWSA-N 442.382 5.612 30 20 IKED Cc1ccc(C)c(C(=O)c2ccccc2C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c1 592974800 ZNZNWKFGCLKRRC-HXUWFJFHSA-N 428.488 5.773 30 20 IKED CN(C)Cc1cc(CNCc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)ccc1F 604417147 HRCILUNHBWVEKW-SFHVURJKSA-N 438.387 5.049 30 20 IKED Cc1c(C#N)c(NC(=O)CN(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)n(C2CCCC2)c1C 604521385 GTYMOGVWEASHJR-BKMJKUGQSA-N 448.611 5.130 30 20 IKED O=C(Nc1ccc(F)cc1OCC1CC1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 607219102 GCXAEHXCFBKEIN-VXGBXAGGSA-N 442.375 5.646 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1NC(=O)Nc1ccccc1 607433802 IAVPGIALGUFZHV-GOSISDBHSA-N 444.491 5.878 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(NC(=O)c4ccco4)c3)cc2)c1 609063519 CHYOSZVBFOEVBW-UHFFFAOYSA-N 437.455 5.235 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3ccc(Br)s3)c2)cc1 609209638 FNXFJBALIZJBDO-UHFFFAOYSA-N 428.311 5.496 30 20 IKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)NCc1ccccc1Cl 609387071 JFAYKMJOZWWYFR-ZDUSSCGKSA-N 441.906 5.481 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCCc1ccc(F)c(Br)c1 609434659 HJZKDFMYJIGBCS-CYBMUJFWSA-N 436.350 5.347 30 20 IKED COc1cc(F)c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1OC 609724088 UZTFSZDZRPJACK-UHFFFAOYSA-N 426.831 5.413 30 20 IKED N#CCCn1ccc(NC(=O)c2sc(-c3ccccc3)cc2OCc2ccccc2)n1 609788379 VOVZMVRQKTTXSD-UHFFFAOYSA-N 428.517 5.357 30 20 IKED Cc1cccc(NC2CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)CC2)c1 610159263 QTWCYUFEGOKUGR-UHFFFAOYSA-N 425.532 5.162 30 20 IKED N#CCn1c(C(=O)N(Cc2cccs2)C23CC4CC(CC(C4)C2)C3)cc2ccccc21 610228403 VHPDXQGVXNCPOD-UHFFFAOYSA-N 429.589 5.838 30 20 IKED C=CCN(C(=O)CS[C@H](C)CCO)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 610286985 DMHGRTXRYVUBIZ-GFCCVEGCSA-N 431.410 5.140 30 20 IKED COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(C#N)c1)CCO2 610356301 OGPJHRBYPQNHAR-UQBPGWFLSA-N 441.531 5.363 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](c3cccc(F)c3)c3ccccn3)cn2)cc1 611226062 WALQLTBAJHDEJL-XMMPIXPASA-N 439.450 5.191 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC(OCc4ccccc4F)CC3)cc2)cc1 611261720 MKSRETAJFJFGRR-UHFFFAOYSA-N 444.506 5.505 30 20 IKED N#Cc1ccc(CN2CCC(NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)CC2)cc1 611438538 NXZDSNCEUGGTHJ-IAGOWNOFSA-N 433.440 5.022 30 20 IKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1ccccc1Oc1ccccc1C#N 611503124 MLRUXBUVIMYZQE-GJZUVCINSA-N 426.516 5.590 30 20 IKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)N1CCC[C@@](C)(C#N)C1 612302307 QJPXLQANWLBTAC-QFIPXVFZSA-N 444.457 5.424 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nn1C(C)(C)C 613344802 QWASTOQYXQDZMU-CQSZACIVSA-N 433.364 5.867 30 20 IKED CCc1ccc([C@@H](NCc2ccc(C(C)(C)C#N)cc2)c2cccc(S(C)(=O)=O)c2)cc1 614058549 CMPQARQNVKPWSG-AREMUKBSSA-N 446.616 5.333 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 618841745 BHZBBZROMHVYBB-AUSIDOKSSA-N 447.583 5.031 30 20 IKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1(c2noc(C(F)F)n2)CCC1 644973814 OEHGULSMZRPTCB-UHFFFAOYSA-N 444.282 5.246 30 20 IKED O=C(NCCCc1cccc(C(F)(F)F)c1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674429461 TYHRMUUYQBWYGT-STQMWFEESA-N 436.318 5.020 30 20 IKED O=C(c1cccc(COc2cccc(F)c2)c1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674445968 VZWBTBXYGYQSKF-CALCHBBNSA-N 435.339 5.218 30 20 IKED FC(F)(F)c1cc([C@@H](NCc2noc3c2CCCC3)C(F)(F)F)cc(C(F)(F)F)c1 679951367 GCFHEPXMAFASGE-OAHLLOKOSA-N 446.313 5.984 30 20 IKED CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N/[C@H](C)c1cccs1 726419292 HSWXFLABCZEYGZ-NLADNXFPSA-N 436.002 5.120 30 20 IKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)n1 726655938 XLGFCVZOERDXAA-OAHLLOKOSA-N 430.938 5.175 30 20 IKED CC(=NNC(=S)Nc1ccc(OC(C)C)cc1)c1sc(-c2cccnc2)nc1C 727257882 IOYLMEBVFNESPY-UHFFFAOYSA-N 425.583 5.011 30 20 IKED N#C[C@H](C(=O)[C@@H](Sc1ccc(F)c(Cl)c1)c1ccccc1)c1nc2ccccc2o1 730399108 TZUJWRJRTWLQMZ-ZHRRBRCNSA-N 436.895 6.330 30 20 IKED COc1ccc(/C=C\C(=O)c2ccc(OC(F)F)cc2OC(F)F)c(Cl)c1OC 730434580 ODUALQQARWQEQN-CLTKARDFSA-N 434.769 5.456 30 20 IKED Cc1csc(SCc2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)n1 731025921 QTVDRLLXGGSPOW-HNNXBMFYSA-N 439.631 6.248 30 20 IKED C[C@H](c1ccccc1)n1c(SCc2ccc(OCC#N)cc2)nnc1-c1ccccc1 731158220 XMTVEQKJMKWEDL-LJQANCHMSA-N 426.545 5.749 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCCc1ccc(Br)cc1F 731400262 MPQHTDXUYUZPNZ-CYBMUJFWSA-N 436.350 5.347 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cc(Cl)ccc2SC(C)C)ccc1OC 733632468 AKKWGTPWBAYUNA-QGZVFWFLSA-N 447.988 5.852 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@H]2[C@H](CC)c2ccccc2)ccc1OC 733654171 PKHHNZRWQJNCJE-DNVJHFABSA-N 435.568 5.244 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)cc1 737503954 ZAYRMLSJOQLTML-JOCHJYFZSA-N 446.432 5.799 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)c1ccc(Br)s1 744027906 CKZCXWIFFFUCGF-WFASDCNBSA-N 433.371 5.086 30 20 IKED C/C(=C/C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1C(F)(F)F 744031487 YKWNNBPVODQTRF-MSKHEQNASA-N 441.236 5.763 30 20 IKED C[C@@H](OC(=O)C1(Cc2nc3ccccc3s2)CCCCC1)C(=O)Nc1ccccc1C#N 744594118 FTABKNSETMCGOH-QGZVFWFLSA-N 447.560 5.231 30 20 IKED CCc1cc(NN=C(Cc2ccccn2)c2ccc(Cl)cc2)nc(-c2ccccn2)n1 745203588 IHYKBWIQOANART-UHFFFAOYSA-N 428.927 5.208 30 20 IKED C[C@H](OC(=O)c1ccccc1Sc1ccccc1C#N)c1nnc(-c2ccc(F)cc2)o1 745924662 QKWKUQOIFZJUOC-HNNXBMFYSA-N 445.475 5.817 30 20 IKED COc1cc(C=Nn2c(S)nnc2COc2ccc(C(C)(C)C)cc2)ccc1SC 746484922 CPDQWWWBPCASBM-UHFFFAOYSA-N 442.610 5.056 30 20 IKED COc1ccc(/C=C/C(=O)c2cnn(-c3ccccn3)c2C)cc1OCc1ccccc1 748442968 ZZPFXDNFLQFQNP-ACCUITESSA-N 425.488 5.059 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3nc(O)c4c(C)c(C)sc4n3)n2)cc1 750395458 OQJCJQKEVIOPDD-MRXNPFEDSA-N 448.573 5.255 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)c1 751303009 SLQPFXGFGZGVRW-UHFFFAOYSA-N 445.482 5.099 30 20 IKED CC(=NNc1cc(Cl)ccc1Cl)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 751895550 OEUSFZXOIUROKL-UHFFFAOYSA-N 425.259 5.166 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)cc1C#N 752227659 XEWSZNQFOMOZBF-UHFFFAOYSA-N 426.521 5.020 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2cn(-c3cccc(Cl)c3Cl)nn2)S1 754684229 FQOUXKXSGXJKLX-SXGWCWSVSA-N 444.347 5.083 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NOc2ccccc2C(F)(F)F)cs1 754712259 IJCGPEVHCJHFOO-UHFFFAOYSA-N 439.846 5.913 30 20 IKED CC(C)(C)c1cc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)c(C#N)s1 756837038 BSNFIISBXJGGGS-HXUWFJFHSA-N 430.529 5.624 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](O)c1ccc(Cl)c(F)c1 762956985 SOSCJLBFRVYOEL-QFIPXVFZSA-N 439.874 5.307 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@@H]2c2ccc(Cl)cc2)c1=S 764879929 UASNEZAAYXQCKA-HXUWFJFHSA-N 425.989 5.500 30 20 IKED C=CC[C@H](N[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21)c1ccncc1 769686637 CTPCRTDXYRFMDP-MCEYFSPLSA-N 435.568 5.192 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc(C#N)cc1F)C(=O)c1ccccc1 772797241 NBNLLFZBFPOKBP-KQWNVCNZSA-N 426.491 5.727 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)cc1 774320842 MMVSEZCUYVUOAA-GMAHTHKFSA-N 431.561 5.084 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccccc2NCc2ccccc2Cl)n1 776085151 XYZFLZXLEZIGPZ-MRXNPFEDSA-N 439.924 5.075 30 20 IKED Cc1nc(CCC(=O)OCc2ccc(CC#N)cc2)oc1-c1ccc(Br)cc1 776114009 LHJQCYFBAZHUOQ-UHFFFAOYSA-N 439.309 5.155 30 20 IKED C[C@H](OC(=O)Cc1ccccc1CC#N)C(=O)N1c2ccccc2Sc2ccccc21 777163307 DHUYJFVFPOLPGO-KRWDZBQOSA-N 428.513 5.056 30 20 IKED CCOC(=O)Nc1ccc(NCc2cccc3c2N(C(=O)OC(C)(C)C)CC3)cc1C#N 779603107 GWQOXVRVMXDJOU-UHFFFAOYSA-N 436.512 5.036 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cc3ccccc3s2)cs1 780189296 XKDLLUCALYKGSM-DHZHZOJOSA-N 438.961 6.592 30 20 IKED COc1cccc([C@H](NC(=O)Nc2ccccc2O[C@H](C)C#N)c2cc(F)ccc2OC)c1 780681847 QRJFGZPVIZSMEJ-GYCJOSAFSA-N 449.482 5.045 30 20 IKED C=CCn1c(SCC(=O)O[C@H](C)c2ccc(Cl)cn2)nnc1-c1ccc(Cl)cc1 782661803 SPBFECACPXFCGH-CYBMUJFWSA-N 449.363 5.229 30 20 IKED CCCc1c(NC(=S)Nc2ccc(SC(F)F)cc2)cnn1-c1cccc(C#N)c1 783953393 OIJRFUUUVCIAOE-UHFFFAOYSA-N 443.548 5.820 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@H](C)c1ccc(SC(F)(F)F)cc1 784108431 TURLCBMHUPROGR-OAHLLOKOSA-N 425.476 5.263 30 20 IKED CC(C)(C)OC(=O)N1CCC(n2cc(N[C@@H]3CCCCc4cc(C#N)ccc43)cn2)CC1 795815170 ZFZJJFPFIXQBOI-HSZRJFAPSA-N 435.572 5.206 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc2nc(-c3ccccc3)oc2c1 796635480 MMLGTFFOPVPGDZ-NRFANRHFSA-N 431.451 5.609 30 20 IKED CN(C)c1ccc(N(Cc2ccc3ccccc3n2)C(=O)C[C@H](CC#N)c2ccccc2)cc1 796883350 MPGZMVZLYORERC-DEOSSOPVSA-N 448.570 5.922 30 20 IKED C#C[C@H](NC(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1)c1ccc(Cl)cc1F 806272681 JDHBENNNJWWQMP-CHJDUVSTSA-N 440.927 5.283 30 20 IKED CC(C)(C(=O)[C@H](C#N)c1ccc2ccccc2n1)c1csc(-c2cc(F)ccc2F)n1 810521521 PGQVOODBBCPVOF-QGZVFWFLSA-N 433.483 5.791 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1cc(C)c(C)cc1C)[n+]1cc(O)cc(-c2ccccc2)c1 811723843 NTZCSCLMOOSTTI-UHFFFAOYSA-O 445.608 5.649 30 20 IKED Sc1nnc(-c2ccco2)n1N=Cc1ccc(-c2ccccc2Br)s1 912794619 CBDFLJNQIVANED-UHFFFAOYSA-N 431.340 5.200 30 20 IKED CCCCNC(=O)c1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915349928 BCSYDECXSZPPMX-VWLOTQADSA-N 440.547 5.194 30 20 IKED COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)cc1 916137355 XAVQEGFBRLXZGD-XGICHPGQSA-N 436.851 5.405 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(C2CC2)C1=O)Nc1cccc(Cl)c1Cl 916210496 GUPZVCTXBUPZJR-INIZCTEOSA-N 434.348 5.116 30 20 IKED CCCCOc1ccc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1OC 916283553 GZWFMLLUGCHCQD-UHFFFAOYSA-N 447.560 5.503 30 20 IKED N#C[C@@H](C(=O)NC1CCCC1)C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1 917041229 GLVLBYULMBSVKU-GOSISDBHSA-N 447.387 5.667 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc3c4c(cccc24)CC3)cs1 917560271 UTLYDMJVCUUHLU-PTNGSMBKSA-N 438.552 6.284 30 20 IKED COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4C#N)C3=O)o2)cc1 917645046 RVUPEPYZWCGJGZ-UDWIEESQSA-N 446.509 5.011 30 20 IKED C=CCN(Cc1ccccc1F)Cn1nc(-c2ccncc2)n(-c2ccccc2C)c1=S 918181526 JTDDGAMVVWHTFT-UHFFFAOYSA-N 445.567 5.559 30 20 IKED C[C@@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)Nc1cccc2ccccc12 919513165 CKCQZWPXEGXMLB-QGZVFWFLSA-N 440.455 5.067 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)n1 920326739 AJQQFAIUQMLSOG-FHMHZAIJSA-N 448.588 5.343 30 20 IKED C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 920765644 AZNJBCGFYSTCRG-QRWLVFNGSA-N 435.867 5.310 30 20 IKED Cc1ccc(-c2ccccc2C(=O)NC2(c3ccc(NC(=O)CCC#N)cc3)CCC2)cc1 1787889026 AMMHMVCRVFSNMF-UHFFFAOYSA-N 437.543 5.714 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3cccc(OC)c3)CCC2)cc1 1789451243 CTWRFZCJOIRMRA-XMMPIXPASA-N 432.564 5.140 30 20 IKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C(C)C)cc3)CCC2)cc1 1790511092 PCPCLFIGMXOGPE-UHFFFAOYSA-N 448.563 5.067 30 20 IKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)sc1Cl)C2 1793051629 VKDDILOUWIVIJY-QDMKHBRRSA-N 427.397 5.075 30 20 IKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)c(Cl)cc3C)[nH]n2)C1 1814397385 HECJCYIQUABMNR-LJQANCHMSA-N 447.366 5.297 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccoc3s2)[nH]n1 1814828634 BHIYIVAFGLNJDZ-SFHVURJKSA-N 438.553 5.292 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccccc3o2)[nH]n1 1814828752 FSXGXYAACFDCHO-FQEVSTJZSA-N 432.524 5.230 30 20 IKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)[nH]n1 1822402222 GYIAGFMGEICNBP-GOSISDBHSA-N 447.366 5.017 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc(C(F)F)c2)CC1 1825404156 DZKWEWNIAGHYNP-UNMCSNQZSA-N 445.554 5.021 30 20 IKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CC2)C1 1825572983 PZMMZCYPUGQLEB-RUZDIDTESA-N 449.570 5.020 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccsc3[nH]2)CC1 1828831656 WVONWZWXLMGLOC-UNMCSNQZSA-N 439.625 5.231 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C(C)=C/c2ccc(C)o2)CC1 1829005331 ZHMOWNRNXQLFRS-RLRPEEDVSA-N 440.628 5.603 30 20 IKED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCCC(C)(C)C)CC1 1831577245 FXVJCOQFUWXTEI-GOTSBHOMSA-N 448.692 5.176 30 20 IKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C)c3ccccc23)CC1 1832998719 RMXIGCSEJZCQCN-AREMUKBSSA-N 432.608 5.277 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)c1cc3oc(-c4ccccc4)cc3[nH]1)C2 1841319870 REDIRNARFGYXEC-UHFFFAOYSA-N 443.547 5.013 30 20 IKED CCc1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2ccc(C)cc2C)cc1 10168425 GNAHHANPJUJKIM-UHFFFAOYSA-O 434.541 5.112 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(C)cc2C)cc1 10168910 QGZVGWVUDPFXEI-UHFFFAOYSA-O 443.636 6.083 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2cc(C)ccc2C)cc1 22729844 ADSCTZGIXUWVPZ-UHFFFAOYSA-O 448.568 5.421 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(Nc2ccccc2OC)s1 23341435 NSKXWLUPVWOSMO-CQSZACIVSA-N 446.623 5.047 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC(c3nc4ccccc4s3)CC2)c1 23993028 CZGIYHHRGVVMKM-UHFFFAOYSA-N 432.593 5.039 30 20 IKED Cc1ccc(C[C@@H](C#N)Sc2nnc(COc3ccccc3F)n2-c2ccccc2)cc1 24839064 DCIMGHIYILVPJH-NRFANRHFSA-N 444.535 5.521 30 20 IKED Cc1cc(C)cc(Oc2ccc(CNC(=O)CCc3c(C)nn(CCC#N)c3C)cc2C)c1 62928295 NYARNHDAMQLLRD-UHFFFAOYSA-N 444.579 5.380 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)c1cccnc1Sc1ccc(Br)cc1 105864695 GLNNEFDNFDLXPU-UHFFFAOYSA-N 438.350 5.139 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1nc(-c2cccs2)oc1C 106116034 USHFIEOHNAYLBM-UHFFFAOYSA-N 430.489 5.260 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 195589001 YIOJQLHQPCDSIB-UHFFFAOYSA-N 443.890 5.892 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cc(Cl)sc2Cl)cs1 195690974 RGWRTZTXQQXCKD-QPJJXVBHSA-N 441.336 6.231 30 20 IKED N#Cc1c(Cl)nsc1Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 301929568 LYJZHQKFKOCKRJ-UHFFFAOYSA-N 425.809 5.142 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 303311268 OZQAHNMIPNRPIB-HHHXNRCGSA-N 437.543 5.370 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](Cc1ccccc1)c1ccccc1 303373020 KOZCNAWKBYIVCN-YKSBVNFPSA-N 429.589 5.450 30 20 IKED C[C@@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@@H]1OCCc2sccc21 431835611 PEYYXXLZNYMDBP-OSPHWJPCSA-N 432.545 5.282 30 20 IKED Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 436324774 MJERUMCPHIKMDC-HXUWFJFHSA-N 425.410 5.478 30 20 IKED N#Cc1cnc2c(Br)cccc2c1N1CC=C(c2c[nH]c3ncccc23)CC1 440659496 GHZBJIRWKOZRLX-UHFFFAOYSA-N 430.309 5.039 30 20 IKED N#CC1CCC(CNC(=O)N[C@@H](CC(F)(F)F)c2ccc(Br)cc2)CC1 440986802 JDQZFQOGJFLSSK-ZUEPYMLJSA-N 432.284 5.072 30 20 IKED CC(C)n1cc(Br)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 442864833 AODSINZNRLOVKM-INIZCTEOSA-N 439.338 5.317 30 20 IKED CC(C)n1c([C@H]2CCCN2c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)nc2ccccc21 443504946 ZLKNXFMEANQPCZ-JOCHJYFZSA-N 426.480 5.287 30 20 IKED C=CCN(C(=O)CCC1CCOCC1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 443811781 DEQNFNQOJLBPPC-UHFFFAOYSA-N 432.589 6.203 30 20 IKED N#Cc1ccc(NC(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)cc1C(F)(F)F 443916498 ATMVMZUFQRBMHH-ZDUSSCGKSA-N 432.377 5.269 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cc2)c1 445183954 OTLLJZVWHBDMTF-UHFFFAOYSA-N 445.478 5.384 30 20 IKED N#Cc1ccc(-c2nnc(N3Cc4ccccc4-c4ccccc4C3)n2C[C@H]2CCCO2)cc1 461128180 PCQBAGZVUMARQD-XMMPIXPASA-N 447.542 5.183 30 20 IKED C[C@H](CC#N)N(C)c1nnc(COc2ccccc2-c2ccccc2)n1Cc1cccs1 461519593 MSXJTZQZPQIDPK-LJQANCHMSA-N 443.576 5.372 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21 461706133 KHYBNPSHNDBQOP-HXUWFJFHSA-N 437.341 5.021 30 20 IKED N#CCc1ccc(NC(=O)CNc2cc(C(F)(F)F)ccc2SCC(F)F)cc1 462237779 OXCZRUGPPQEQOX-UHFFFAOYSA-N 429.414 5.179 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H](CC(=O)OC(C)C)C1 463967211 VUNMOLNMXKCDDY-HXUWFJFHSA-N 435.524 5.245 30 20 IKED CC[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 465267265 PUBUKOVWAFEBGX-OAHLLOKOSA-N 435.427 5.087 30 20 IKED CCC(CC)(CCO)CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 467690329 DLTSYLZXWQZNCU-UHFFFAOYSA-N 429.948 5.101 30 20 IKED Cc1ccc(C)c(-n2ncc([C@H](C)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)c2C)c1 469213887 MGVRVWLNYGZUAR-FQEVSTJZSA-N 441.579 5.554 30 20 IKED CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)o1 470562501 INCSBRYYUYOUSL-JPYJTQIMSA-N 448.567 5.430 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F 474279687 JJDSLMPQJZUWKQ-UHFFFAOYSA-N 449.432 5.319 30 20 IKED N#C[C@@H](C(=O)c1cc(Oc2cccc(Br)c2)ccn1)c1nc2ccccc2o1 474825531 MCALCAAUPNAHGP-INIZCTEOSA-N 434.249 5.268 30 20 IKED C[C@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1ccc(NC(=O)Nc2ccccc2)cc1 474915761 YXYOPXGTLUZXCA-UGKGYDQZSA-N 426.520 5.595 30 20 IKED CO[C@@H]1CCC[C@@H](CC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)C1 474948041 ATXSPEBPCIJYTH-CZUORRHYSA-N 437.487 5.158 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(OCc2cn3ccccc3n2)c1 476790996 RVBBWOBBXWAYFQ-UHFFFAOYSA-N 425.532 6.018 30 20 IKED C[C@H](N[C@H](c1ccc(F)cc1)c1nccn1C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 480336742 NDDIWKIRRISMEP-KPZWWZAWSA-N 445.382 6.037 30 20 IKED C=CCn1c(SC[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)nnc1-c1ccccc1C 480419134 QXTQIEGDLZDHLX-YLJYHZDGSA-N 444.000 5.324 30 20 IKED C=CCn1c(SCc2csc(-c3ccc(OCC)cc3)n2)nnc1-c1ccccn1 481373729 OKOTVYRXMHFHRW-UHFFFAOYSA-N 435.578 5.341 30 20 IKED Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)[C@@H](C#N)c1nc2ccccc2s1 482557646 PGCVTEHGZGOIOP-CQSZACIVSA-N 427.407 5.769 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(C(=O)NC4CCCC4)cc3)c2)cc1 483018725 FCUFNGPPCFIURS-UHFFFAOYSA-N 425.488 5.275 30 20 IKED O=C(Nc1ccccc1CC(F)(F)F)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 492163151 WMAWSNMVFLAOJK-AWEZNQCLSA-N 442.306 5.818 30 20 IKED CN(C(=O)Cc1ccc(NCc2cc(C#N)ccc2Br)cc1)c1ccccc1 492581075 GWLQEXRHPSXPGE-UHFFFAOYSA-N 434.337 5.138 30 20 IKED N#Cc1ccc(S(=O)(=O)N(CCc2ccccc2)c2ccccc2)c(C(F)(F)F)c1 497591416 AJKFRONQVMXOPX-UHFFFAOYSA-N 430.451 5.015 30 20 IKED CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)c1 499997525 FTBMUUHRUJWUED-GOSISDBHSA-N 443.572 5.624 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1 500760408 UMVIBIHINYZBPN-UHFFFAOYSA-N 437.455 5.757 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 502316443 DLNDXUAMTMNORQ-KRWDZBQOSA-N 446.551 5.689 30 20 IKED C=CCN(C(=O)CS[C@H]1CCCOC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502796152 QXXYRYYXEBOUGD-AWEZNQCLSA-N 443.421 5.548 30 20 IKED N#C[C@@H](NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1)c1ccccc1Cl 505631569 ILRACRYEYRFLMG-GOSISDBHSA-N 441.965 5.127 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1OCCC(F)(F)F 505807114 OWOKYCIKIOQJSF-HKUYNNGSSA-N 435.421 5.461 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1nc(C(F)(F)F)cs1 507596298 CQGAXSYGZHIKQT-NSHDSACASA-N 431.530 5.286 30 20 IKED C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC([C@@H]2CCCO2)CC1 508473095 NACAWMTVDICBEV-DEOSSOPVSA-N 444.579 5.106 30 20 IKED CC[C@@H]1c2ccsc2CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509894415 BIQLXNPAKMJAHO-HSZRJFAPSA-N 431.561 5.934 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3c(F)cccc3Oc3ccccc3)CC2)c(F)c1 510701195 MSIDTGDGGPAEOA-UHFFFAOYSA-N 433.458 5.484 30 20 IKED C[C@H]1CCCCN1C(=O)c1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)cc1 512585111 BFLYBPQOWKTNDR-FQEVSTJZSA-N 427.552 5.090 30 20 IKED COc1ccc2nc(N(Cc3ccccc3)C(=O)[C@@H](C)Oc3ccccc3C#N)sc2c1 516069007 CQNLMPXQERHYAE-QGZVFWFLSA-N 443.528 5.177 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C 517137856 JEFCOYHHPAJJTA-QGZVFWFLSA-N 439.556 5.725 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1cccnc1N1CCCC1 517579692 YBQCFDPFTUTKGS-UHFFFAOYSA-N 427.508 5.085 30 20 IKED Cc1nc(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)n(C2CCCCC2)c1C 518130612 ROGWBJVMMFVLAV-MRXNPFEDSA-N 442.654 6.130 30 20 IKED C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 518870727 GRGRKTMHAKLRDT-DAXOMENPSA-N 437.471 5.173 30 20 IKED COc1ccc(CSCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1[N+](=O)[O-] 519979054 IAMWYHXOGDPFQK-UHFFFAOYSA-N 449.488 5.139 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1coc(-c2ccc(F)cc2)n1 520834004 QFQXWFSMOVKDTR-HNNXBMFYSA-N 441.553 5.747 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC1(c2cccc(Cl)c2)CCOCC1 521811539 KYILRXCBFALQOC-KRWDZBQOSA-N 444.000 5.604 30 20 IKED CC(C)CN(C(=O)c1ccc(NC(=O)CSc2cccs2)cc1)c1ccc(C#N)cc1 522669376 UJESPHOIVLJPPE-UHFFFAOYSA-N 449.601 5.653 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21 523642384 PAIPUSUCJHLKAH-DEOSSOPVSA-N 443.503 5.483 30 20 IKED O=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)c1ccc(F)cc1C(F)(F)F 533858893 QDLQZGCEBNBAPJ-UHFFFAOYSA-N 444.734 5.111 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)sc1Br 533958611 YNKCWYFNKAUCJF-GFCCVEGCSA-N 433.352 5.441 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 534986395 VDDGBRMGGMIGPQ-UHFFFAOYSA-N 440.547 5.178 30 20 IKED COc1cc(CN[C@H](C[C@@H]2CCOC2)c2ccccc2)ccc1OCc1cccc(C#N)c1 540434054 RHARCBLKQSWBPS-AZGAKELHSA-N 442.559 5.403 30 20 IKED C=CCCC[C@@H](C)NC(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 540533516 ZBTDHZKTLJJMJF-DKERFCRFSA-N 440.653 5.338 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1)C(C)C 540869908 WKCZXOJEQYKWBR-UHFFFAOYSA-N 427.504 5.360 30 20 IKED C[C@@H](Nc1nc(O)c2cnn(-c3ccccc3)c2n1)c1ccc(-c2cccc(C#N)c2)cc1 541108172 DTFPATJTMWYOQB-QGZVFWFLSA-N 432.487 5.233 30 20 IKED CC[C@](C)(COc1ncccc1Cl)NC(=O)Nc1ccccc1S[C@H](C)CC#N 541969547 GGVBONPJVKGFDH-QVKFZJNVSA-N 432.977 5.498 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@@H]3c3cccc(Cl)c3)n2)c(Cl)c1 542959983 ZBEOWKYTHXDNPR-GOSISDBHSA-N 426.307 5.420 30 20 IKED COc1cc(C#N)ccc1NC(=O)c1oc2ccccc2c1CSc1nnc(C)s1 546710951 SFFRNVRSCMLYJE-UHFFFAOYSA-N 436.518 5.018 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1ncccc1C(F)(F)F 551780952 KGSGXAZPRMCTFW-UHFFFAOYSA-N 430.270 5.410 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)nc2ccccc21 557408763 KZULCNKJTIKYMZ-HNNXBMFYSA-N 441.434 5.690 30 20 IKED C=C(C)Cn1c(Cc2cccc3ccccc23)nnc1N1CCC(c2ccnn2CC)CC1 558995904 RMKGQOUEJJZITN-UHFFFAOYSA-N 440.595 5.199 30 20 IKED O=C(Nc1cc(F)ccc1OCC(F)(F)F)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 569475237 NLWMLDPSMCUUJK-CQSZACIVSA-N 428.348 5.353 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 573907955 DXJZCHUIUKJLGO-UHFFFAOYSA-N 436.895 5.308 30 20 IKED C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccc(Br)s1 576335752 VJKHVRYVGJUUCW-INIZCTEOSA-N 440.370 5.168 30 20 IKED CC1CCN(c2cccc(NC(=O)NC3CCC(Oc4ccccc4C#N)CC3)c2)CC1 577446470 YTMAVZUIJUQWTQ-UHFFFAOYSA-N 432.568 5.306 30 20 IKED Cc1sc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)nc1-c1c(F)cc(F)cc1F 589836417 WAMAZCBYAVDVMI-UHFFFAOYSA-N 442.249 5.967 30 20 IKED O=C(Nc1ccc(C(F)(F)F)cc1Cl)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 601181683 CQIFLPVMVMKCBU-IUCAKERBSA-N 442.709 5.953 30 20 IKED Cc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c2cnn(Cc3cccs3)c2n1 603457952 CMPKZSGTEXWHSN-CYBMUJFWSA-N 447.589 5.160 30 20 IKED Cc1ccc(Sc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4o3)cc2[N+](=O)[O-])cc1 603940196 UCEFAUSTEKAHRS-KRWDZBQOSA-N 429.457 5.686 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1cc(Cl)ccc1N1CCCCC1 604076688 HBKKTDWSMSCOIV-UHFFFAOYSA-N 427.932 5.008 30 20 IKED Cc1ccccc1OCCCN(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604085741 SEBAGFJRCXMYEG-UHFFFAOYSA-N 443.547 5.573 30 20 IKED COc1ccccc1-c1nc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cs1 604504249 GZCRMSOROREKMZ-UHFFFAOYSA-N 441.512 5.522 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc4c(c3)nc(O)n4C3CCCC3)cn2)c1 604572129 BNHCXXZUEBNSKJ-UHFFFAOYSA-N 439.475 5.168 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c1 604929724 PYXKEMJVDMBPCX-SFHVURJKSA-N 447.878 6.243 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(OCc3ccccc3F)cc2)c1 608806165 QBSKHKLUHBJKMJ-UHFFFAOYSA-N 442.446 5.701 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 608995362 LVZWDZSBBCARQY-DEOSSOPVSA-N 449.457 5.543 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 609297081 FJPOUIDHGZWRMT-UHFFFAOYSA-N 426.451 5.545 30 20 IKED COc1cccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1OC 609378296 AUVMDOOAIDZFDT-UHFFFAOYSA-N 438.471 5.300 30 20 IKED C[C@@H](C#N)CSc1ccccc1NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 609384729 MDMFSHJYPJHOBG-LBPRGKRZSA-N 427.879 5.661 30 20 IKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)N[C@@H]1CCOc2ccccc21 609387097 LHNFKWHBMCIQIU-WMLDXEAASA-N 449.498 5.152 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H](c4cc5ccccc5[nH]4)C3)cc2)c1 609434258 LTADGXFUTLIMOD-NRFANRHFSA-N 436.515 6.243 30 20 IKED CCN(C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H](C)c1cc2ccccc2o1 609438926 ZJEPHKFOOIUXTK-DLBZAZTESA-N 435.549 5.375 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N(Cc3cccc(O)c3)CC3CC3)c2)cc1 609844271 BBAXWIGPEMLTJA-UHFFFAOYSA-N 441.531 5.481 30 20 IKED Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 610319903 MSJZPZPXHOAXIP-SQJMNOBHSA-N 442.519 5.343 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H](Cn2cccn2)c2ccccc2)cc1F 610334579 PPRYFCINIZJCGV-JOCHJYFZSA-N 441.466 5.249 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 610632306 RTGSIAZAGMIPTJ-OAHLLOKOSA-N 433.499 5.664 30 20 IKED N#C[C@@H](NC(=O)c1sc(-c2ccccc2)nc1C(F)F)c1cccc(Cl)c1Cl 611185789 IMRAEJBSDWMQSE-CYBMUJFWSA-N 438.286 6.049 30 20 IKED COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1 614439604 AVAVEIAMHNWKMO-OAQYLSRUSA-N 448.482 5.238 30 20 IKED CC(C)(C)[C@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)c1ccc(F)cc1F 675204649 QEZKWKSMKYCYQQ-YRGRVCCFSA-N 432.355 5.434 30 20 IKED CN(CCc1cccc2ccccc12)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 726299146 APKSEAGKABOJAL-HHHXNRCGSA-N 447.538 5.135 30 20 IKED CCOc1c(OC)cc(/C=C\C(=O)c2c[nH]c3cc(Br)ccc23)cc1OC 729936689 GBKWZYSXSLTELC-YVMONPNESA-N 430.298 5.242 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1 730989300 KFDJGVJXJYOHBQ-AWEZNQCLSA-N 429.517 5.677 30 20 IKED Cc1c(C(=O)/C=C\c2cc3cnn(C(C)C)c3nc2Cl)cnn1-c1cccc(Cl)c1 731565337 LFNIGSOCFLXIFV-FPLPWBNLSA-N 440.334 5.709 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 731982638 YRRUSCIXXBZQLY-UHFFFAOYSA-N 432.483 5.294 30 20 IKED CC(C)(C)OC(=O)NCc1nc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)cs1 732733734 JQYJOACCMVPKHC-UHFFFAOYSA-N 446.598 5.012 30 20 IKED Cc1nc(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)sc1C 732919605 NGZQAUNWQYRTEW-AWEZNQCLSA-N 440.956 5.303 30 20 IKED C=CC[C@@H](NC(=O)NCCCCSc1ccccc1Br)c1ccncc1 734681464 VXEVGWDNDKBBAP-GOSISDBHSA-N 434.403 5.333 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)COc3ccc(C(=O)c4ccc(Cl)cc4)cc3)[nH]c12 735793085 PXRKONJQOXXEHT-FQEVSTJZSA-N 443.890 5.011 30 20 IKED COc1ccc(COCCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 737322852 LRFNIQYGUCYQRL-MRXNPFEDSA-N 434.439 5.107 30 20 IKED C[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccc(NC(=O)C2CC2)cc1 740060515 UMTKZSPKHZVGLE-MRXNPFEDSA-N 444.560 5.196 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCO[C@H](c4ccccc4Cl)C3)c2)s1 740064679 QPQBZKLZFNVCFB-NRFANRHFSA-N 437.952 5.223 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccc(NC(=O)c4ccco4)cc3)c2)s1 740434723 NFHXVUGXCRTCGB-UHFFFAOYSA-N 442.500 5.454 30 20 IKED FC(F)(F)COc1ccccc1C=Nn1c(S)nnc1Cc1cccc2ccccc12 741757500 AJMPISYILVLJOQ-UHFFFAOYSA-N 442.466 5.134 30 20 IKED CCO[C@@H]1C[C@@H](/N=C\c2cc(Br)cc(Br)c2O)C12CCCC2 743044883 SVQXBTFXTNDNHU-PZZZEZCFSA-N 431.168 5.074 30 20 IKED C[C@H](OC(=O)c1c[nH]cc1-c1ccc(Cl)s1)C(=O)Nc1sc2c(c1C#N)CCC2 744832598 QNYUJHXCOBATAG-JTQLQIEISA-N 445.953 5.002 30 20 IKED CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cc(C#N)cs2)NC(=S)N1c1ccccc1 747959533 AINPASOIJCYXGO-JOCHJYFZSA-N 444.585 5.277 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N2CCC[C@@H]2c2nc3ccccc3n2CC)cc1OC 751233525 UVLJNDHQLSXPOL-VNDCNEEASA-N 431.536 5.007 30 20 IKED C[C@H](C[C@H](O)c1cccs1)NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 752288326 VYPHESFVHYIAAK-KUHUBIRLSA-N 426.925 5.307 30 20 IKED CC(C)(C)O[C@@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1 754533556 SHXWWXOHAJNNOK-QVKFZJNVSA-N 426.488 5.821 30 20 IKED N#CCCn1cc(C(=O)COC(=O)c2csc(-c3ccc(Cl)cc3)n2)c2ccccc21 756840640 DGXZRYHNMDECTG-UHFFFAOYSA-N 449.919 5.372 30 20 IKED C[C@@H](ON=Cc1ccc(Br)cc1)c1nnc(-c2ccc(Cl)cc2Cl)o1 757616475 VACOGDZTCHFRJY-SNVBAGLBSA-N 441.112 5.918 30 20 IKED N#CCSc1ccccc1C(=O)NCc1ccccc1-c1ccc(Cl)cc1Cl 760877786 CLYXUWMBEPNEFL-UHFFFAOYSA-N 427.356 6.206 30 20 IKED C#CCOc1cccc(NC(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)c1 761645399 NXUUYBXHYJDNDI-UHFFFAOYSA-N 433.335 5.219 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCCCC[C@H]3C[C@@H](O)c3ccco3)c2)c1 762985798 IMPPYAAXAWXYGC-UKILVPOCSA-N 444.531 5.239 30 20 IKED O=C1O[C@H](CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CC12CC2 763752282 ITTHUMNGIMCLCS-RYUDHWBXSA-N 435.286 5.013 30 20 IKED CC(C)(C)[C@](C)(C#N)NC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12 766580778 CTAFDNRGWJHEIP-QFIPXVFZSA-N 437.341 5.117 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C(=O)OC(C)(C)C)c1ccccc1 767976611 GAVLYQXUJNYLTD-KRWDZBQOSA-N 425.554 5.461 30 20 IKED CCC(CC)n1nc(C)cc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 776078126 UQNXTLPMZSHVJX-HXUWFJFHSA-N 430.508 5.306 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(CC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c1 777311504 KPKCSKMUAGCNLQ-MRXNPFEDSA-N 425.485 5.201 30 20 IKED C[C@@H](OC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)c1ccccc1NC(=O)c1ccccc1 777315373 YHQYMYGZGHKXND-KBMIEXCESA-N 439.515 5.084 30 20 IKED CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)co1 780638469 FUHUDBYCQAAUAE-UHFFFAOYSA-N 433.464 5.221 30 20 IKED CCN(Cc1cc(C)c(OCc2ccccc2C)c(C)c1)C(=O)NCc1ccc(C#N)cn1 780647721 UXJPNWOSRGGQNY-UHFFFAOYSA-N 442.563 5.189 30 20 IKED N#C[C@@H](C(=O)NCc1cccc(Cl)c1)C(=O)c1sc(-c2ccccc2)nc1C(F)F 786533997 HZGNBAPJRJBGHZ-OAHLLOKOSA-N 445.878 5.040 30 20 IKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)Cn3ccnc3)c2C#N)C(C)(C)C1 788652579 RUXJLIMWDWWJJG-PLNGDYQASA-N 434.590 5.603 30 20 IKED N#C[C@@H](C(=O)NCc1cccc(Cl)c1)C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1 789434475 OQANTCKKXCQDKP-MRXNPFEDSA-N 446.812 5.258 30 20 IKED N#C[C@H](C(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1cnc2ccccc2n1 792111589 VRPBGVZUIZMPKE-BXKMTCNYSA-N 431.854 5.419 30 20 IKED COc1ccccc1-c1ncc(/C=C2/CCc3sc(Br)cc3C2=O)cn1 792884243 CQASRMBKBNOATK-JYRVWZFOSA-N 427.323 5.189 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 797649863 WCXAWYBOMYDRNK-QFIPXVFZSA-N 449.595 5.709 30 20 IKED COC(=O)Nc1cccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1C 798053539 ZVFRTMNGGGFRPF-UHFFFAOYSA-N 435.867 5.743 30 20 IKED N#CC1(CCCOC(=O)[C@H](Sc2ccccc2Cl)c2ccccc2)CCOCC1 800163233 CYJSGJTZDHEEJS-OAQYLSRUSA-N 429.969 5.817 30 20 IKED O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)CC1 801674654 QGLSACBPYMBQOL-SFHVURJKSA-N 447.350 5.255 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](F)c3ccc(C(F)(F)F)cc3)n2)cc1 802052950 HENMQDSXXJEEFW-WMZOPIPTSA-N 434.414 5.725 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1 806200769 MOUXWFIBGSZLOE-DNVKUUNQSA-N 443.572 5.375 30 20 IKED Cc1ccc([C@](O)(Cc2noc(-c3ccc(C(F)(F)F)c(F)c3C)n2)C(F)(F)F)o1 809452137 YQGDGSMFZKZYNN-MRXNPFEDSA-N 438.299 5.097 30 20 IKED Cc1ccc(Cl)c(NC(=S)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1Cl 811708024 OYRZXHYWSCBDPA-UHFFFAOYSA-N 429.332 6.170 30 20 IKED Cc1nc(SCC(=O)O[C@@H](C)c2nc3ccccc3n2C(F)F)c(C#N)c(C)c1C 823691649 UDAFWMNMROGECA-AWEZNQCLSA-N 430.480 5.020 30 20 IKED O=C(Nc1ccc2c(c1)OCCO2)/C(=C/c1ccc(Cl)s1)C(=O)c1ccccc1 834756313 MQFPIGANSPRZGC-GHRIWEEISA-N 425.893 5.078 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3NC(=O)c3cccs3)cn2)c1 915198300 DTLZGKDNXBFXQU-UHFFFAOYSA-N 440.484 5.312 30 20 IKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2)cc1 915303545 HRBFQSRIKXIZNK-UHFFFAOYSA-N 438.535 5.713 30 20 IKED CC(C)c1ccc(SCC(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 916888775 YLNTVWDCDNNPJC-SFHVURJKSA-N 434.533 5.564 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(OCc3cscn3)c2)cc1 916914980 ZVGNNLIVORPKOS-JOCHJYFZSA-N 433.533 5.026 30 20 IKED CCOc1c(Cl)cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1OC 916927175 DWKTWDRIMHKAHC-LBPRGKRZSA-N 441.698 5.015 30 20 IKED CSCc1c(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)oc2ccccc12 916942364 JTDBRZOFOGZJAU-OAHLLOKOSA-N 433.316 5.564 30 20 IKED Cc1ccc(-c2nc(CC(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cs2)cc1 916944492 GCHFBJVSUQDPHW-GOSISDBHSA-N 444.343 5.315 30 20 IKED CCOc1cc2c(cc1/C=C\C(=O)[C@H](C#N)c1nc(-c3ccc(C)cc3)cs1)O[C@@H](C)C2 916974985 TXYHTPGXTDQNBP-DMDJFPJFSA-N 444.556 5.730 30 20 IKED Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 917027052 UXEFJEARCVGPDA-NRFANRHFSA-N 430.508 5.171 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)CCc3cnc4ccccc4c3)cc2)CCC1 1786035113 VXFVSAKZEQKUTI-UHFFFAOYSA-N 439.559 5.105 30 20 IKED Cc1occc1C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1787364199 VXXNKMPOSBGCNZ-UHFFFAOYSA-N 436.628 5.387 30 20 IKED COc1c(C(=O)NC2(c3ccc(NC(=O)CC#N)cc3)CCC2)cc2ccccc2c1Cl 1787647445 MUQWDMOZOURJKX-UHFFFAOYSA-N 447.922 5.163 30 20 IKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)c(F)c(Cl)c4)CCC3)cc2)CC1 1787880616 CQGSKHKMVFBUEC-UHFFFAOYSA-N 446.309 5.184 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnnc4ccccc34)CCC2)cc1 1789453607 BTRDALRQKXBODV-NRFANRHFSA-N 440.547 5.146 30 20 IKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)C3=C(C)OCC3)CCC2)cc1)c1ccccc1 1789600163 DLQDJPUXWBSYJZ-VWLOTQADSA-N 442.559 5.012 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4nccc-4c3Cl)CCC2)cc1 1791247629 BSJDRNMRSIQIGR-HNNXBMFYSA-N 436.943 5.128 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)C[C@@H]3OCCc4ccccc43)CCC2)cc1 1791726222 IOOQDEDOLFYYMU-VWLOTQADSA-N 444.575 5.018 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)CCCC4=O)CCC2)cc1 1791727415 NOVOQHYAZFPABP-UHFFFAOYSA-N 442.559 5.147 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1[nH]c3c(Cl)cccc3c1C)C2 1798593109 PGBARGOYQWJGQW-BCDXTJNWSA-N 442.003 5.374 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3ncccc3c2)n[nH]1 1818478718 YZKGODMEJLPEPT-NZQKXSOJSA-N 443.551 5.032 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C(C)=C/c2ccc(C)o2)n[nH]1 1819490893 CQDXSSNZJYWLRW-LPKPBQMMSA-N 436.556 5.175 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3sccc3[nH]2)[nH]n1 1819554839 QTEBRSSZFUBTQF-SFHVURJKSA-N 439.585 5.251 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nccc3occc23)CC1 1823752821 OSWKCEVPRTWJLM-NRFANRHFSA-N 437.584 5.054 30 20 IKED CC[C@H](C)[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C#N)CCC2)CC1)c1ccccc1 1826421467 ABXPJYISWRWYPX-TUSQITKMSA-N 449.639 5.130 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)CC1 1828155676 JCRRMVYRUQCHOH-UTKZUKDTSA-N 442.600 5.486 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3occc3c2)CC1 1828254845 SPTBNBDKPFSEGL-QHCPKHFHSA-N 436.596 5.659 30 20 IKED CC[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)CC1 1829956392 GVYXVPMUYRUDFC-OPHFCASCSA-N 435.612 5.008 30 20 IKED CC(C)c1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)cc1 1830014991 GBOXLIOILNUXEE-SANMLTNESA-N 443.591 5.229 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CCC)cc2)CC1 1831446633 NKHIRHUCUVUJOZ-JOCHJYFZSA-N 432.555 5.084 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1831860504 RRNBSEXFEZRJTO-HSZRJFAPSA-N 430.548 5.395 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)c1cc3c(ccc4ncccc43)s1)C2 1841319713 YPXWSYYMNFVVRO-UHFFFAOYSA-N 445.588 5.035 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1ccc(-c3ccccc3)c(F)c1)C2 1844202989 NVXWNWNEJQUHGU-QFIPXVFZSA-N 432.539 5.078 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cccc(C)c2C)cc1 10168164 RWHNAPHEVLLEOY-UHFFFAOYSA-O 443.636 6.083 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2ccc(C)cc2)cc1 10173154 GZLGCCYXGUWORS-UHFFFAOYSA-O 444.407 6.203 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)=C(/S)Nc1ccc(C)c(C)c1 11160547 ZSSHGKLQORRJTF-UHFFFAOYSA-O 448.612 5.352 30 20 IKED C=CCn1c(SCC(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1cccc(C)c1 22200978 VDIHLTWPOIOSNH-UHFFFAOYSA-N 445.592 5.095 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 27381149 TZSPRPSTPNMOJA-IBGZPJMESA-N 439.540 5.870 30 20 IKED C=CCn1c(SCc2csc(-c3ccc(Cl)cc3)n2)nnc1-c1ccoc1C 30547567 OOTCIGDHEAVPEZ-UHFFFAOYSA-N 428.970 6.102 30 20 IKED O=C(Nc1ccc(OC(F)F)c(F)c1)c1cnn(-c2ccccc2F)c1C(F)(F)F 195697477 IEVNUIOHGBIZDV-UHFFFAOYSA-N 433.283 5.023 30 20 IKED C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cccc(C#N)c1 237420312 HWLXSYQHLBJJKE-CYBMUJFWSA-N 426.270 5.340 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)o1 303130229 RPUVIZZQWPFCHP-UHFFFAOYSA-N 443.484 5.296 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 303373559 KQBWVJBPVGMNOR-AUSIDOKSSA-N 427.573 6.118 30 20 IKED N#Cc1cccc(OCCCCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)c1 303438883 HJOSRINRVNZXBN-UHFFFAOYSA-N 448.544 5.173 30 20 IKED Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 303584353 FQPITRKJNHPFKS-UHFFFAOYSA-N 425.488 5.047 30 20 IKED C=CCCc1ccccc1NC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C 410365825 MGEPCXJNWBPQNY-UHFFFAOYSA-N 428.458 5.780 30 20 IKED CCCOc1ccc(Oc2ncccc2CNC(=O)c2cccc(SCC#N)c2)cc1 430039411 ZSCVNDFJQZYNJG-UHFFFAOYSA-N 433.533 5.208 30 20 IKED N#CCCC[C@H](NC(=O)NCc1cccc(NC(=O)c2ccccc2)c1)c1ccccc1 431816855 ZURRRQQBYUCUJB-DEOSSOPVSA-N 426.520 5.173 30 20 IKED Cc1sc(CNC(=O)N[C@@H](CCCC#N)c2ccccc2)nc1-c1ccc(Cl)cc1 431849344 RCVVYLDCACPIRM-FQEVSTJZSA-N 438.984 6.006 30 20 IKED COC(=O)C12CCC(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)(CC1)CC2 432713936 NPGHCYYMAIMRIL-NWSMCOELSA-N 436.939 5.448 30 20 IKED O=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)N[C@@H](c1c(F)cccc1F)C(F)(F)F 436388383 NUHHYCSKUGBEPK-HICWGWBUSA-N 436.327 5.025 30 20 IKED C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)c2)C1 438715444 GIYHZFYHPFJCCW-JPYJTQIMSA-N 433.552 5.160 30 20 IKED N#CCC[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1)c1ccccc1 439454532 RTOJZTAVTMSBBU-OAQYLSRUSA-N 435.886 5.246 30 20 IKED N#Cc1ccc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1C(F)(F)F 443881069 GHPDGVHBLHQRKL-UHFFFAOYSA-N 430.455 5.042 30 20 IKED C=CC[C@@H]1N(c2nnc(COCc3ccccc3)n2C[C@@H]2CCCCO2)CCCC1(C)C 461827814 FUSDRMYDRIUWBW-GOTSBHOMSA-N 438.616 5.135 30 20 IKED CSc1cccc([C@H](NCC(=O)Nc2ccc(CC#N)cc2)c2cc(F)ccc2F)c1 462173134 BZVFXENEMOFCDV-DEOSSOPVSA-N 437.515 5.070 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(-c4cscn4)c3)cc2F)c1 463502763 QXXOCONFFOEIJH-UHFFFAOYSA-N 429.476 5.652 30 20 IKED CC(=O)Nc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc(C(F)(F)F)c1 472381108 LJSLCKZBTMTRMF-CQSZACIVSA-N 437.830 5.417 30 20 IKED Cc1nc(-c2cccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c2)n[nH]1 474494227 USGFTQFFOMLLBD-NRFANRHFSA-N 427.895 5.341 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)Nc1ccc(F)c(C(F)(F)F)c1 477626115 ZHDOPTARZQGSSV-QMMMGPOBSA-N 426.336 5.103 30 20 IKED C=C(C)[C@H](NC(=O)Nc1cccc2c1CN(c1nccs1)C2)c1ccc(F)c(F)c1 480917400 ZFNYMGJXDROKLX-FQEVSTJZSA-N 426.492 5.380 30 20 IKED Cc1cc(C)c(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1Br 481716480 SKHCISMLRURVLK-UHFFFAOYSA-N 446.320 5.152 30 20 IKED C=C(C)CN1CCC(N[C@H](C)c2sc(-c3ccccc3Br)nc2C)CC1 482639144 ROEQQWGBNDYLRM-OAHLLOKOSA-N 434.447 5.572 30 20 IKED CN(C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1cccc(OC(F)(F)F)c1 484047401 RPRDSERMNGFZQV-UHFFFAOYSA-N 447.310 5.205 30 20 IKED C=CCSc1ccccc1C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 486242819 ONAQAWFXVUZGDD-UHFFFAOYSA-N 439.558 5.413 30 20 IKED C[C@@H](N=c1c(C#N)c[nH]c2ccc(OC(F)F)cc12)c1nc2ccccc2n1C(F)F 486441050 YDZBXNNFEFZODH-LLVKDONJSA-N 429.377 5.048 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H]3CCCN(Cc4cccs4)C3)cc2)cc1 495110332 SEOFUTPLYWZIPL-HXUWFJFHSA-N 446.576 5.446 30 20 IKED CC(C)c1nnc(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1 495219522 IERXEQICYVBDLE-GOSISDBHSA-N 439.972 5.335 30 20 IKED Cc1nc(CSc2ccc(C(=O)Nc3ccnn3-c3ccc(C#N)cc3)cc2)cs1 498015532 OVIWQGTYFCGIGX-UHFFFAOYSA-N 431.546 5.054 30 20 IKED Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)Sc4ccc(C#N)cn4)cc3)sc2c1 498150902 JFGGDTHBFQNWPC-HNNXBMFYSA-N 430.558 5.658 30 20 IKED N#Cc1cccc(C2(C(=O)Nc3ccc(Oc4nncc5ccccc45)c(Cl)c3)CC2)c1 505424505 AIVODQGGXUXRCS-UHFFFAOYSA-N 440.890 5.617 30 20 IKED COc1ccc([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1F 510006611 TZPLTXLSTJYKNJ-MGPUTAFESA-N 437.902 6.026 30 20 IKED Cc1ccc(CSCCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 511338100 DPEZWFCNQSDUCA-UHFFFAOYSA-N 445.588 5.695 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1nnc(-c2c(-c3ccccc3)noc2C)o1 512516196 BTHNFEBJPMGOFR-UHFFFAOYSA-N 432.528 5.056 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(OCc3ccncc3)cc2)cc1 517882675 RHLMNOUHMFXJJY-UHFFFAOYSA-N 435.483 5.364 30 20 IKED C[C@@H](C#N)CSc1ccccc1NCC(=O)Nc1ccccc1Sc1ccccc1 518141092 NEDBZIDUEKHWSP-SFHVURJKSA-N 433.602 6.140 30 20 IKED COc1ccc(CCCN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 518183347 NHYDRYZZTKQJPO-XMMPIXPASA-N 447.966 6.101 30 20 IKED C=CCN(C(=O)CCCc1ccc(Cl)c(Cl)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 518728610 MFPZVMZLBFABJE-INIZCTEOSA-N 444.366 5.068 30 20 IKED Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2S[C@H](C)CC#N)c(Br)c1 520928946 KMSGGBQKUDTQHU-HUUCEWRRSA-N 433.371 5.558 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1 522481427 QCLJJNMETKFJFK-UHFFFAOYSA-N 440.484 5.359 30 20 IKED C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 523013935 UBDLWCKNQYKXIV-AUSIDOKSSA-N 443.522 5.881 30 20 IKED CC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1nccs1 524129110 DXYYOKIPXYKPRX-SFHVURJKSA-N 426.929 5.520 30 20 IKED N#Cc1ccc(CN2CCC(N[C@H](Cc3ccc(Cl)cc3)c3ccccn3)CC2)cc1 539506336 BDDDESJIXRUKRI-AREMUKBSSA-N 430.983 5.145 30 20 IKED CN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 539576463 CCZJWYAUYBTACU-UXHICEINSA-N 426.442 5.395 30 20 IKED COc1ccc(COCc2cccc(NC3CCN(Cc4ccc(C#N)cc4)CC3)c2)cc1 541901711 YAVSTHVPMYIYDN-UHFFFAOYSA-N 441.575 5.360 30 20 IKED Cc1ccc(C2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2)cn1 543964454 SQUABGKGGSWNHG-UHFFFAOYSA-N 440.547 5.447 30 20 IKED COC(=O)[C@H](N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C)c1cccc(C#N)c1 544487435 VATYHVQIFUUGHI-ORAYPTAESA-N 425.941 5.209 30 20 IKED Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](c1nc(-c3ccc(C(F)(F)F)c(F)c3)no1)CC2 545042488 LFLGKGUHSUFNBK-JTQLQIEISA-N 446.326 5.284 30 20 IKED C=C(C)Cn1c(SCc2nc(Cc3cccc(Cl)c3)no2)nnc1-c1ccco1 546964209 XJTWCVIHWSGRCQ-UHFFFAOYSA-N 427.917 5.034 30 20 IKED C[C@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(Oc2ccccc2)cc1 548825058 HCVYVSAMUCHDPH-FQEVSTJZSA-N 426.520 5.202 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)NCc2noc(-c3cccs3)n2)cc1Cl 551238821 TYVBIAJIWLBILC-UHFFFAOYSA-N 436.880 5.045 30 20 IKED C=CCOc1ccc(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1OC 552766702 JJZAMLQZNIIEMR-JOCHJYFZSA-N 449.469 5.177 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)CCc2nc(-c3ccccc3)no2)cc1 557098268 RBIOBSIEJVEHGH-UHFFFAOYSA-N 438.487 5.024 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3cc(Cl)cc(C(F)(F)F)c3)CC2)c(F)c1 560765687 ZFXIVIVCIPNARQ-UHFFFAOYSA-N 426.797 5.053 30 20 IKED CS[C@H]1C(=O)Nc2ccc(-c3noc(-c4cn(CCCC#N)c5ccccc45)n3)cc21 577144229 AVQQBODXVDWBKY-HXUWFJFHSA-N 429.505 5.018 30 20 IKED CCCN(CC)Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 580230342 ILCBZNXDXNSDML-QFIPXVFZSA-N 433.577 5.541 30 20 IKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(Cl)c(C#N)c2)cc1 585709577 YXXIORZJOHHEBP-UHFFFAOYSA-N 435.936 5.503 30 20 IKED Cn1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(C2CCCCC2)n1 588739225 ZGOUZJUMTCQQRK-CQSZACIVSA-N 426.492 5.360 30 20 IKED CN(Cc1ccccc1NC(=O)NCCSCc1ccccc1C#N)C1CCCCC1 603647255 AJGXBXKIDJTURD-UHFFFAOYSA-N 436.625 5.378 30 20 IKED Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)[nH]c2c1 604509980 QHCZGPSRPVRHOG-SFHVURJKSA-N 443.429 5.053 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c1 608808187 UGYBAFBJTNEDLB-UYAOXDASSA-N 426.394 5.035 30 20 IKED Cc1ccc(-c2nnc(SCC(=O)N(CCC#N)c3cccc(Cl)c3)o2)c(C)c1 608930218 QPGWZFVZHHODJK-UHFFFAOYSA-N 426.929 5.046 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(-c4n[nH]c5c4CCCC5)c3)o2)cc1 609070748 JSTWCDGHYQIPBN-UHFFFAOYSA-N 438.487 5.251 30 20 IKED CCN(Cc1ccccc1)C(=O)[C@@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 609387379 ZHGJQBYRDCDFML-MRXNPFEDSA-N 435.515 5.560 30 20 IKED COc1cc(Cl)ccc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C 609542071 IHEREKPNBUWIJT-UHFFFAOYSA-N 444.915 5.063 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCO[C@H](c3cccc(F)c3)C2)c1 609731500 ZNVSXINPZHFOFG-QHCPKHFHSA-N 436.870 5.357 30 20 IKED COc1cc2cc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)[nH]c2cc1OC 609820638 KPRSCBKMRZSQTP-UHFFFAOYSA-N 441.487 5.082 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N3CCO[C@@H](c4ccc(F)c(Cl)c4)C3)c2)cc1 609988738 KAFJSRNQXUHRPI-HSZRJFAPSA-N 435.886 5.308 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCCCCN2CCCCC2)cc1 610027808 QKUBTDYAASVALD-UHFFFAOYSA-N 436.575 5.065 30 20 IKED Cc1ccc(N2CCC(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CC2)nc1 610313470 QWLREXARVQFRPZ-UHFFFAOYSA-N 430.483 5.048 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2COc3c(Cl)cccc32)cc1 610709904 GFAQCJPULCKDRE-QFIPXVFZSA-N 433.895 5.240 30 20 IKED CCOC(=O)c1oc2ccc(Br)cc2c1CN[C@@H](C)c1cccc(C#N)c1 611386655 QOXAVFOYJMQYOL-ZDUSSCGKSA-N 427.298 5.094 30 20 IKED Cn1ccnc1SCc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)o1 613407528 XDEPFJORHJWQIL-CYBMUJFWSA-N 428.926 5.059 30 20 IKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1 618783229 WLINMIYHSQIHOE-QHCPKHFHSA-N 441.556 5.015 30 20 IKED N#C[C@@H](C(=O)c1cnc(-c2ccccc2Cl)s1)c1nc2cc(Cl)ccc2s1 622977426 OPQWKDZFYBRHFL-LBPRGKRZSA-N 430.341 6.217 30 20 IKED C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 642282277 ZFLQNTWWMLEUFG-LYRGGWFBSA-N 443.450 5.400 30 20 IKED Cc1cc(C(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)c(C)n1CC(F)(F)F 679356135 YNBQTWZIHDSHCR-CQSZACIVSA-N 444.322 5.302 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc(OC)c1C(C)C 679730782 YSWCNCZOEBTWEN-AWEZNQCLSA-N 448.466 5.946 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)c1 726319334 GGVMIPWCLVPDPC-MRXNPFEDSA-N 429.423 5.099 30 20 IKED COc1ccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1NC(C)=O 726428116 FEMSBHHXMUIVJG-VMPITWQZSA-N 440.839 5.371 30 20 IKED COc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1NC(C)=O 726428799 PRNUPXJRZWWXFP-WUXMJOGZSA-N 448.906 5.455 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccccc2C)[n+]2ccc(C(CC)CC)cc2)c1 726573147 NKPGCZLXTHJBTA-UHFFFAOYSA-O 441.620 6.491 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)c2)cc1 728766629 DNGYZVMOOJYTLZ-LJQANCHMSA-N 433.826 5.104 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)/C(=C\c3ccc(F)cc3)c3cccs3)CC2)c1 729416347 LNJHRBWXBXDAAB-KQWNVCNZSA-N 432.520 5.369 30 20 IKED CC(C)(C)CN(CCC#N)Cn1nc(Nc2ccc(OC(F)(F)F)cc2)sc1=S 729468686 YAODHYZGTTYSPP-UHFFFAOYSA-N 445.536 5.536 30 20 IKED COc1ccc(C[C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC 730130237 IMUYYVKWPHAGHI-WZONZLPQSA-N 429.520 5.112 30 20 IKED Cc1nc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)oc1-c1ccccc1 730394694 AOYITUJWBJBQIL-HXUWFJFHSA-N 438.512 5.454 30 20 IKED CCCOc1nc2ccccc2cc1/C=C/C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl 731768251 FOUMUAWFODXYAB-DXRVJIQQSA-N 433.895 5.038 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)Cc2ccc(OCC#N)cc2)c(C(F)(F)F)c1 731991521 PCHCIEZPLHFJFC-UHFFFAOYSA-N 449.429 5.136 30 20 IKED COc1cccc([C@H](C#N)NC(=O)c2sc3cc(C(C)C)ccc3c2Cl)c1OC 732657646 QGVAQBZCKZADPZ-INIZCTEOSA-N 428.941 5.690 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(-c3ccc(OC)cc3)cc2F)ccc1OC 733228342 IXIRWXBOUSRAST-FQEVSTJZSA-N 448.494 5.121 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Oc2ccccc2)nc1 733678544 CZZQJUMSFHXUIZ-MRXNPFEDSA-N 426.259 5.142 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1)c1nc2ccccc2o1 733681737 ZLVAOCJBVOPWLF-SKBHOOIQSA-N 447.922 5.131 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)c1 733773348 ZMNKVTAGCXHSNK-CQSZACIVSA-N 433.455 5.235 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c1 733851718 IKGWJWQUYMUGTH-HXUWFJFHSA-N 431.458 5.261 30 20 IKED C=CCOc1c(Br)cc(CNc2ccc(OC[C@H]3CCCO3)cc2)cc1OC 734160257 RKUGKQIBYDSCNY-LJQANCHMSA-N 448.357 5.192 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 734347148 CYWQWKJXSHEBRA-UHFFFAOYSA-N 444.878 5.408 30 20 IKED C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 741058286 BHUFTUHYCYGFHF-AJTFRIOCSA-N 438.575 5.470 30 20 IKED CO[C@H](CNC(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)C(F)(F)F 741070226 WSUKBZLKQLDTKD-SNVBAGLBSA-N 444.319 5.059 30 20 IKED COc1ccccc1-c1ccc(C=Nn2c(C)nc3sc4c(c3c2=O)CCCCC4)cc1 741455509 KOWOBVMZHIMMMF-UHFFFAOYSA-N 443.572 5.593 30 20 IKED C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccc(Cl)c(Cl)c1 747107996 KUKOJHIECDSPMO-IINYFYTJSA-N 443.302 5.759 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc(Cl)c1O 749006495 XDFGZLXEANXSNO-GHXNOFRVSA-N 434.941 5.057 30 20 IKED Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)N[C@@H](CCC#N)c2ccccc2)c1 749220962 DCJFFKBEVHDSPI-UIOOFZCWSA-N 427.548 5.285 30 20 IKED Cc1noc(C(F)(F)F)c1C(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 750192974 GVINZQRVWIUFSC-UHFFFAOYSA-N 436.230 5.214 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C 750597096 CRLHYULQYCCWOU-KURKYZTESA-N 444.601 5.087 30 20 IKED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)C1 750687130 KRCVMHQDAUMSSE-OPAMFIHVSA-N 445.972 5.287 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1noc(Cc2ccccc2)n1 752638163 XHCXLWQUFPROEO-FDDCHVKYSA-N 437.503 5.199 30 20 IKED COc1cc(/C=C/C(=O)c2ccc3c(c2)CCC(=O)N3C)ccc1OCc1ccccc1 754689896 WDFIMVKASUUPMW-MDWZMJQESA-N 427.500 5.079 30 20 IKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(C3CC(F)(F)C3)C2=O)cc1 757885869 MTDLABQYPCNGFN-LJQANCHMSA-N 443.519 5.061 30 20 IKED CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)[C@H](C#N)c1nc2ccccc2n1C)OCC3 759182146 UTNVEICLFYYKEB-DCFHFQCYSA-N 440.547 5.062 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC1CCC(O)(c2ccccc2)CC1 760697569 CDHWUKZBUDZIKA-UHFFFAOYSA-N 428.557 5.270 30 20 IKED C[C@@H](C[C@@H](O)c1cccs1)NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 762023536 NUPHJJWRIVYSHI-KBXCAEBGSA-N 426.925 5.307 30 20 IKED COc1ccc(Br)c(CC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1 762035502 AVJLHVJUPOZDLX-ZDUSSCGKSA-N 435.730 5.140 30 20 IKED CC(C)c1ccc(C2(C(=O)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)CCCC2)cc1 762241712 JCRCZZBXKLQNEU-UHFFFAOYSA-N 431.580 5.093 30 20 IKED C=CCn1c(SC[C@@H](O)c2ccc(C#N)cc2)nc2cc(-c3ccccc3)sc2c1=O 763230786 BMOXDJFSWWXHML-HXUWFJFHSA-N 445.569 5.008 30 20 IKED Cc1ccc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1Br 767897196 STDBIPYAAIDPAA-UHFFFAOYSA-N 438.350 5.387 30 20 IKED C[C@H](CCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)NC(=O)OC(C)(C)C 774053581 JDMHJMYQMUFELH-CZUORRHYSA-N 433.961 5.333 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cc(Br)c(C)cc2C)ccc1OC 776998817 GYBJWZCHOLVOAO-INIZCTEOSA-N 446.345 5.077 30 20 IKED CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 777299032 XYTFBLYWLNDXDM-HXOBKFHXSA-N 443.569 5.078 30 20 IKED Cc1sc2ncn(N=Cc3cccc(C(=O)OC(C)(C)C)c3)c(=O)c2c1-c1ccccc1 777878697 JQKQNNJFBJXISL-UHFFFAOYSA-N 445.544 5.271 30 20 IKED Cc1cc(C#N)ccc1NC1CCC(OC(=O)c2csc(-c3ncccc3F)n2)CC1 779235188 MHMTZKPLTYTHDG-UHFFFAOYSA-N 436.512 5.104 30 20 IKED N#Cc1ccc([C@@H](O)C(=O)Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)cc1 781447567 KAVPQUQLQOBVTD-HXUWFJFHSA-N 435.892 5.286 30 20 IKED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(N2CCCCC2)c(F)c1 786960748 VRZAUHUPAFNXQV-LJQANCHMSA-N 434.559 5.572 30 20 IKED CCC(CC)n1nc(C(=O)[C@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1C 787046882 UNDVFMHUCOCAIW-DYVFJYSZSA-N 435.355 5.059 30 20 IKED COc1cccc(C(=O)/C(=C/c2cccc(OCc3ccccc3C#N)c2)c2ncc[nH]2)c1 787170333 VXILJNPUIOIMPL-MYYYXRDXSA-N 435.483 5.292 30 20 IKED CC[C@H](C#N)Oc1cc(CNCc2cnc(-c3ccc(Cl)cc3)s2)ccc1OC 790544718 QDTYWXSFMDTRHG-GOSISDBHSA-N 427.957 5.443 30 20 IKED C[C@]12CCN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)C[C@@H]1C2(Cl)Cl 791185415 POJBLJBWGBULPY-ICSRJNTNSA-N 435.738 5.660 30 20 IKED N#C[C@H](C(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1)c1cnc2ccccc2n1 792111746 XVVGAFHIQZQXCZ-BXKMTCNYSA-N 431.467 5.618 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCOc2c1ccc(Cl)c2Cl 792780535 SUBPKCGWBMJCCB-SWLSCSKDSA-N 436.364 5.890 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)s1 797569239 OYNIEEAQFUSCLO-LBPRGKRZSA-N 437.512 5.878 30 20 IKED N#Cc1cc(NCc2nnc(-c3ccc(Cl)cc3Cl)o2)ccc1OC(F)(F)F 799593679 TZZRAVDBQSVJLB-UHFFFAOYSA-N 429.185 5.426 30 20 IKED C[C@@H](C#N)OCCSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1 801655214 SRULMEITERVCQP-AWEZNQCLSA-N 436.924 5.626 30 20 IKED N#CC1(OCCOC(=O)c2cc(Cl)ccc2Oc2cccc(Cl)c2)CCOCC1 809084430 HVQVIGWOFLKKSU-UHFFFAOYSA-N 436.291 5.032 30 20 IKED CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)NC2(C#N)CCCCC2)c1=S 819153048 HMDICTVCNAMYTF-UHFFFAOYSA-N 446.020 5.267 30 20 IKED N#CCCn1ncc(-c2nc(-c3sccc3Br)no2)c1-c1ccccc1 904894431 DPVULGGBIOGJCY-UHFFFAOYSA-N 426.299 5.005 30 20 IKED CC(C)c1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cnn1-c1ccc(F)cc1 915086365 USNFRHAVYWNPKO-XMMPIXPASA-N 438.506 6.043 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 915088015 YUGANZOQTXCONH-HSZRJFAPSA-N 437.524 5.908 30 20 IKED C[C@@H]1C[C@H]1c1ccc(CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C2CC2)o1 915353539 OPLSZYKWABQPHK-ZYKLXPEUSA-N 425.532 6.255 30 20 IKED CCn1c(SCC(=O)[C@H](C#N)c2ccc3ccccc3n2)nnc1-c1ccc(Cl)cc1 916848726 OWEUXKUMODTVOK-GOSISDBHSA-N 447.951 5.135 30 20 IKED Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)cc12 916905207 IXWOANBNBKKWHB-QGZVFWFLSA-N 448.935 5.069 30 20 IKED Cc1nc(CSc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)cc2)cs1 916910145 FJDBXPPKMCEMBE-KRWDZBQOSA-N 441.965 5.358 30 20 IKED C=CCOc1ccc(/C=C\C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC 916972284 MJTQYPRIEMRMMO-RVPHRTOXSA-N 430.529 5.582 30 20 IKED CC(C)CN(CCC#N)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 917364352 XQBXTDBSSBLTLF-UHFFFAOYSA-N 440.550 5.368 30 20 IKED CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1ccccc1SCC#N 917370284 RHDKFAQSOHRLIL-UHFFFAOYSA-N 444.585 5.489 30 20 IKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccccc2)cc1 917612726 CSCZDJJWCFSFBG-UHFFFAOYSA-O 428.581 6.073 30 20 IKED COc1cc(C=NOCc2coc(-c3ccc(Br)cc3)n2)ccc1OC(C)C 920485872 KRUAGGIUTSEMRO-UHFFFAOYSA-N 445.313 5.451 30 20 IKED CC(C)(C)Cn1c(O)nc2cccc(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)c21 1126387067 VBSBMCMJGOMRDE-UHFFFAOYSA-N 444.560 5.318 30 20 IKED Cc1nc(NCC(=O)N(C)[C@H](C)c2cccc(C#N)c2)c2cc(-c3ccccc3)sc2n1 1557130043 QLMKYGDGDIFDLV-MRXNPFEDSA-N 441.560 5.170 30 20 IKED Cc1cc(Nc2ccc3c(c2)CCCC3)c(C(=O)N[C@@H](C)c2cccc(C#N)c2)c(O)n1 1638252856 HZEBXZGKYPKCMI-KRWDZBQOSA-N 426.520 5.081 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CCC2)cc1 1785933861 KQKZTHAECRTLOK-UHFFFAOYSA-N 444.510 5.118 30 20 IKED CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)[C@H](C)ON=C(C)C)CCC2)cc1)c1ccccc1 1787644002 IINSPBWNERYCKE-WMZHIEFXSA-N 435.568 5.115 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)C4(C(F)(F)F)CCC4)cc3)CCC2)c1 1787936939 JBNPCMQZWQNXQH-UHFFFAOYSA-N 441.453 5.039 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)nc(CC)c3)cc2)CCC1 1788836711 QCLHNSOWNVLGCF-DEOSSOPVSA-N 431.580 5.469 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3c4ccccc4n4ccsc34)cc2)CCC1 1790001020 DHDWEESHZZSDPA-UHFFFAOYSA-N 441.556 5.315 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CCCC(=O)Nc3ccccc3)CCC2)cc1 1791243801 GCYICPFIPAZGAS-HXUWFJFHSA-N 447.579 5.142 30 20 IKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccncc1-c1cccc(C)c1 1796461125 OCGBEQJBEFSDAD-BKFWDETESA-N 443.591 5.077 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)[C@@H]1c1cccnc1 1802500507 ABAIGLQUYRFIIW-HIGZBPRKSA-N 439.644 5.296 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3cnccc3c2)[nH]n1 1814442960 DMOAWNXRTZMNCE-JOCHJYFZSA-N 445.567 5.256 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2scnc2C2CC2)n[nH]1 1816255152 QATUTYGVWPWRCV-KRWDZBQOSA-N 441.601 5.042 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2F)CC1 1823899646 KFFIWMDRJCHZPH-REWPJTCUSA-N 446.994 5.481 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(C(C)(C)C)c2)CC1 1828822038 DJQIEJMHHIMFQY-GOTSBHOMSA-N 439.644 5.314 30 20 IKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 1832827444 HLIGCNODRQGKED-LJQANCHMSA-N 443.012 5.201 30 20 IKED O=C(O)CCCC/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc21 1857777121 LYEBXOMNZDVATO-CLCOLTQESA-N 439.726 5.238 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2cccc(O)c2)c1 11126940 WNCVEBMQXRWQJJ-UHFFFAOYSA-O 427.549 5.501 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(N)c3c(C)c(C)sc3n2)nnc1-c1ccc(F)cc1 11200294 UJHUGAYKGKVAFY-ZDUSSCGKSA-N 440.573 5.327 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccc3c(c2)CCCC3)s1 22695559 GFFHYLPKKQAZJR-UHFFFAOYSA-O 435.638 5.891 30 20 IKED CC(C)(C)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccccc2)cc1 22730052 CLVBPBIUVZIENN-UHFFFAOYSA-O 425.524 5.601 30 20 IKED COc1ccccc1-c1csc(/N=C(\O)C(=O)c2c(C)nn(-c3ccccc3)c2C)n1 31981863 KQAIFVIJQVXIGT-UHFFFAOYSA-N 432.505 5.092 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)COC(c2ccccc2)c2ccccc2)cc1 58499177 XERUMOZFPKWRMD-UHFFFAOYSA-N 438.449 5.255 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccccc2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 60488367 KVYKLCPSZIRMOW-LJQANCHMSA-N 441.512 5.558 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)cc1 64395274 QMOWPJUQABOQTG-LEWJYISDSA-N 439.353 5.006 30 20 IKED C=CCn1c(-c2sc(NC(=O)c3ccccc3Cc3ccccc3)nc2C)n[nH]c1=S 111200593 SSTOBRRRZVSAGC-UHFFFAOYSA-N 447.589 5.402 30 20 IKED CSc1ccsc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 409795465 QRJDZBKBYIMBMV-UHFFFAOYSA-N 439.509 5.660 30 20 IKED N#CCCn1ncc(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)c1-c1ccccc1 428271548 GBQRKUWTRSOGPP-UHFFFAOYSA-N 449.486 5.042 30 20 IKED C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 436337161 WMXCZQKYNIBJMH-ORAYPTAESA-N 439.409 5.135 30 20 IKED CCC[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nnc2ccccn12 438666577 INCHHVJBSAUFFM-IBGZPJMESA-N 444.470 5.195 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1cccc(COc2cccc(F)c2)c1 439544242 BYZNWFVWNPYHIF-IBGZPJMESA-N 447.510 5.161 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccc(NC(C)=O)cc1OC)c1ccc(C(F)(F)F)cc1 442211313 DVZNGRBUNHZBHB-SFHVURJKSA-N 435.446 5.501 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)cc1 442685922 VMDZPRBNZDVWHS-HNNXBMFYSA-N 431.395 5.536 30 20 IKED N#CCCCn1cc(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)c2ccccc21 444148433 ULIZBRPFTQPCIJ-UHFFFAOYSA-N 438.984 5.404 30 20 IKED N#CC(CCN1CCC(n2ccc(C(F)(F)F)n2)CC1)(c1ccccc1)c1ccccc1 444684599 NHEOQXBCFFRGRL-UHFFFAOYSA-N 438.497 5.439 30 20 IKED COc1cc(CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1F 444733076 LGGWKLZLRYXQBJ-CQSZACIVSA-N 440.315 5.545 30 20 IKED N#Cc1ccc(SCC(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)cc1 460477258 FBLGIJKRBAMMHG-UHFFFAOYSA-N 443.450 5.173 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3c(F)cc(C(F)(F)F)cc3F)c2)c1 463456997 JFIOORYGTUPUAC-UHFFFAOYSA-N 445.347 5.360 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)cc1Cl 464456249 QPXCIAQFMISYGG-QGZVFWFLSA-N 428.875 5.724 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CCOCc1ccccc1 465246133 HMUSDQJHDBTJRK-UHFFFAOYSA-N 429.520 5.126 30 20 IKED Cc1cccc(O[C@H](C)CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 466229974 LJPVSQIPDPCVIT-HXUWFJFHSA-N 429.520 5.229 30 20 IKED COC(=O)CC1(CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)CCCC1 466988172 HOYRMZFQYHAVIK-UHFFFAOYSA-N 428.476 5.163 30 20 IKED N#Cc1cc(N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)ccc1[N+](=O)[O-] 469560043 HBBXUGKJRQJMKV-QGZVFWFLSA-N 445.319 5.082 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc(F)ccc3-c3ccoc3)c2)c1 470837194 RVIGBXSHXXDNHY-UHFFFAOYSA-N 425.419 5.462 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1c(F)cccc1I 471801127 UNOYSASXRRYCNW-LLVKDONJSA-N 440.281 5.077 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CSc1nnc(-c2cccs2)n1CC 476152648 OMORQBIPHNOKJZ-UHFFFAOYSA-N 426.611 5.609 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)c3cccnc3OCc3ccccc3F)n2)c1 478340573 JSJGHUJDMGMYMP-UHFFFAOYSA-N 430.464 5.047 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCC(CO)(c3ccccc3)CC2)cc1Cl 479985364 QULNWSGQRFXKLX-UHFFFAOYSA-N 446.934 5.170 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(CS(=O)(=O)C(C)(C)C)cc1 480650567 HKXWHALZCGFDLA-UHFFFAOYSA-N 441.018 5.335 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@]4(C3)OCc3ccccc34)cc2)cc1 480806880 URTSWSDBLKKCOZ-AREMUKBSSA-N 425.488 5.404 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2ccccc2)nnc1-c1cccc(Cl)c1 481368489 GFYFFUJYHLCPTE-INIZCTEOSA-N 426.973 5.096 30 20 IKED C=CCn1c(SCc2csc(-c3ccc(C(C)C)cc3)n2)nnc1-c1cnccn1 481376876 TWPYDZZMQRWSIS-UHFFFAOYSA-N 434.594 5.460 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)c3cnc4ccccc4n3)cc12 483207937 WDFKFUMHBUBRHP-GOSISDBHSA-N 441.491 5.027 30 20 IKED COc1cccc(Cl)c1-c1noc(C)c1C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 483981616 NAJBMJLUMXAUBX-SFHVURJKSA-N 437.927 5.604 30 20 IKED CCCN(C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@@H]1CCc2ccccc21 484820916 CTGMQKCNLKDKIH-XMMPIXPASA-N 439.515 5.215 30 20 IKED CCCCn1ncc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1C(C)C 485092540 LIMAUJKVNFJIOQ-UHFFFAOYSA-N 445.523 5.048 30 20 IKED O=C(NC[C@H](c1ccccc1)C(F)(F)F)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 485610693 DNYAUEQFKMDXJS-MRXNPFEDSA-N 445.338 5.106 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)SCC(=O)N3)cc1Cl 485706925 CDGFHLVXOIKFDI-SFHVURJKSA-N 433.920 5.292 30 20 IKED N#Cc1ccc(NC(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cc1Br 487965380 FJCPQXAXEWWPSG-QGZVFWFLSA-N 444.720 5.219 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 489279363 UYSGYDWCHADUGU-UHFFFAOYSA-N 425.356 5.144 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1c[nH]c2ccccc12)C(F)(F)F 490796011 LJSGYRDAPKFAQO-LJQANCHMSA-N 432.402 5.077 30 20 IKED N#Cc1ccc(Br)c(CS(=O)(=O)Cc2ccc(-c3ccccc3)cc2)c1 491586672 PWLLUOQJXIIUHV-UHFFFAOYSA-N 426.335 5.103 30 20 IKED Cc1cccc(-c2cncc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c2)c1 492257092 JQIFOMUAWJLUTB-LJQANCHMSA-N 440.528 5.136 30 20 IKED C=CCN(CCc1ccco1)C(=O)Nc1c(-c2ccc(Br)cc2)c(C)nn1C 493807879 ISBLGSKUNHAVSM-UHFFFAOYSA-N 443.345 5.014 30 20 IKED C=CCN(C(=O)c1nc(CCC)n(-c2ccccc2Cl)n1)c1nc2c(s1)CCCC2 499314373 IHRKTKJEYDLCIO-UHFFFAOYSA-N 441.988 5.041 30 20 IKED Cc1nc(CSc2ccc(C(=O)N(Cc3ccco3)c3ccccc3C#N)cc2)cs1 501024740 XDWDFUNOJICQRO-UHFFFAOYSA-N 445.569 6.056 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(CO[C@@H]3CCC[C@@H](C)C3)c2)cc1 502524123 XPNQTMWDZMCLNL-WZONZLPQSA-N 436.556 5.733 30 20 IKED CN(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1 502982938 NLCUDYAHIIMISO-UHFFFAOYSA-N 448.910 5.136 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(OC)c(OC2CCCC2)c1 503774775 FQSNBCITKNETLN-UHFFFAOYSA-N 434.989 5.629 30 20 IKED Cc1ccc([C@@H](NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c2ccccc2)cc1 504862184 APYGPASBRPVDLV-SANMLTNESA-N 427.523 5.128 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3scnc3c2)c1 505920851 IWHGQFIAGBCWNS-UHFFFAOYSA-N 444.541 5.151 30 20 IKED C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@H](c2ccccc2OC)C1 508848903 OTXLNABHIUXDBI-PMACEKPBSA-N 448.567 5.005 30 20 IKED Cc1cc(Sc2ccccc2)ccc1NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 510889408 WYXNHRJHAZFYGK-UHFFFAOYSA-N 442.588 5.368 30 20 IKED CN(CCc1nccs1)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 510917997 XSWBNDQOYCCUNP-UHFFFAOYSA-N 446.454 5.532 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2csc(-c3ncccc3F)n2)cc1 511028595 KHHUFRHRUQSAQH-UHFFFAOYSA-N 444.491 5.242 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCCCC[C@H]3c3ccncc3)c2)c1 511477274 PANQCUQTNUPCLQ-DEOSSOPVSA-N 439.519 5.355 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccccc4C)c3C)n2)cc1 516269949 GGSWSTKOGNUJON-LJQANCHMSA-N 428.517 5.111 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)CCC(=O)c3ccc(F)cc3F)c2)cc1 516507299 UPZDOPPKTZEQAU-UHFFFAOYSA-N 434.442 5.211 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 516800805 MGAJBIQULSWZAI-HNNXBMFYSA-N 434.883 5.262 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H]3c3cccc4ccccc34)s2)cc1 517712793 PMFZULIKDDXNDC-DEOSSOPVSA-N 438.556 6.128 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)COc1c(Cl)cccc1Cl 518667587 FMUSGEZVDSPIBJ-UHFFFAOYSA-N 449.281 6.035 30 20 IKED CCCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H](CC)c1ccccc1 520178511 MNWLJCWFAMNRBQ-MHZLTWQESA-N 441.575 6.727 30 20 IKED C=CCOc1c(Br)cc(CN[C@H](c2ccccc2)[C@@H]2CCCO2)cc1OCC 520217722 DVBWDBYBQWFGCX-RBBKRZOGSA-N 446.385 5.423 30 20 IKED N#CCCn1cc(/C=C/c2nc(-c3ccc(Oc4ccccc4)nc3)no2)c2ccccc21 521049705 LQNZPFVJCQGMLM-WYMLVPIESA-N 433.471 5.963 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccccc3COCc3ccccc3)c2)cc1 523122509 FHNOBZPHHNSAAO-UHFFFAOYSA-N 433.511 6.271 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCOc2ccccc2-c2ccccc2)c1C 524147106 RWHUKTSASFXJGT-UHFFFAOYSA-N 436.515 5.435 30 20 IKED CN(CC(C)(C)C)C(=O)c1cccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c1 525002930 FKDIJXAFPKKTLK-UHFFFAOYSA-N 432.549 5.052 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@H](C[C@H]2CCOC2)c2ccccc2)n(C2CCCCC2)c1C 537132393 CPGGWSLVBFVLJK-PXDATVDWSA-N 448.611 5.178 30 20 IKED CN(C(=O)c1cc(O)nc2cc(F)ccc12)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 542180188 WFGUKQXVFASDIJ-QGZVFWFLSA-N 446.322 5.474 30 20 IKED CCS(=O)(=O)Nc1ccc([C@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 543034443 LEWIYOWPPKAVGA-MOPGFXCFSA-N 433.577 5.399 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCNC(=O)[C@H]2CC=CCC2)cc1Cl 546673020 YJTDLFZBGLECQR-SIKLNZKXSA-N 435.955 5.187 30 20 IKED C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(C#N)(c2ccccn2)CC1 548798347 HWACFDKLNISVBY-CQSZACIVSA-N 427.392 5.738 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N(Cc3ccc(F)cc3Cl)CC3CC3)CC2)c(F)c1 553086815 LSWLXSSCYDUXIB-UHFFFAOYSA-N 443.925 5.145 30 20 IKED Cc1ccc(C)c(OCc2nnc(SCc3ccc(Br)cc3C#N)o2)c1 553379415 OFFKRZXNJAYKRB-UHFFFAOYSA-N 430.327 5.192 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC(C)(C)[C@H]2c2cccs2)cc1 554173821 UTYMQSQHCLERBK-JOCHJYFZSA-N 433.533 6.036 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc3nc(C(F)F)sc3c2)o1 557148118 JXNMFSXHSRPYFN-UHFFFAOYSA-N 425.416 5.530 30 20 IKED C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 558990510 AZBAPNIREUOPAV-DEOSSOPVSA-N 443.595 5.251 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 558995476 DUPLDPXVFZESNR-OXCBMLQPSA-N 444.579 5.066 30 20 IKED Cc1nc(C(C)C)sc1[C@H](C)N(C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N 559378040 IWLMJMWNEQOGSU-RDJZCZTQSA-N 430.643 5.458 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCc2cc(F)c(C#N)c(F)c2)cc1 568667542 LCTSKBXKYWNADF-UHFFFAOYSA-N 445.469 5.242 30 20 IKED N#Cc1cc(Oc2ccc(NCc3nc(-c4ccc(C(F)(F)F)cc4)no3)cc2)ccn1 569978565 DANUZQLYBHIKRX-UHFFFAOYSA-N 437.381 5.426 30 20 IKED Cc1nc(-c2ccc(CNC(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)s2)cs1 571844341 JIKDAUUJWVRFIZ-UHFFFAOYSA-N 447.545 5.561 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@]2(C)OCCc3sccc32)cc1 571964212 AFSVGDLVZFAQFA-DEOSSOPVSA-N 449.532 5.030 30 20 IKED N#CC[C@H](CC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccccc1 577307142 HXMZFHUSWGDZHH-XXBNENTESA-N 430.470 5.377 30 20 IKED CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 591515780 AAUPIIARCSMDRZ-UHFFFAOYSA-N 439.331 5.044 30 20 IKED N#C[C@H](C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2)c1nc2ccccc2o1 592975914 YECRICWASYRHHW-CQSZACIVSA-N 437.286 5.299 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)s1 604358300 ULHGANUXTYREKK-UHFFFAOYSA-N 445.569 6.334 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c1C#N 608966844 ZXJVGFSYNYWYMN-IBGZPJMESA-N 448.375 5.073 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 609358575 JDYOETIMNJQEGN-UHFFFAOYSA-N 428.414 5.573 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c12 609378106 RQTBVGJWQMXUNE-OAHLLOKOSA-N 447.608 5.876 30 20 IKED Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609378308 BFEIEISUCWDTTL-UHFFFAOYSA-N 433.377 5.686 30 20 IKED Cc1ccccc1C[C@H]1CCCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 609635974 ANVQLOBJRGRVRX-AREMUKBSSA-N 439.559 5.879 30 20 IKED Cc1cc(OCc2ccccc2)ccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609774131 VIKRKPPUBBUPDV-UHFFFAOYSA-N 441.531 5.521 30 20 IKED CN(C)c1cccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 609807698 KMDYLAJNINAIGL-RUZDIDTESA-N 426.520 5.786 30 20 IKED CN(C)C(=O)Nc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 610061272 ZIEOHDZUMZAJJK-NRFANRHFSA-N 432.911 5.341 30 20 IKED CCc1cccc(C)c1Nc1nnc(SCc2nnc(-c3ccc(C#N)cc3)o2)s1 610217415 FUVJDJWLLMRFLD-UHFFFAOYSA-N 434.550 5.367 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1 613403005 AGKZFMIHUFXOAV-FQEVSTJZSA-N 442.425 5.372 30 20 IKED CC(C)(C)OCc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 615379329 ONZAHGMABVWIFK-UHFFFAOYSA-N 443.503 5.243 30 20 IKED COc1ccc(Cc2nc(C)c([C@H](C)N[C@@H]3CCc4cc(C#N)ccc43)s2)cc1OC 618802719 FITXRFWFYCJINY-YCRPNKLZSA-N 433.577 5.269 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C)nc2c1cnn2Cc1cccs1 641845821 KRBXWAOWDHYXAR-UHFFFAOYSA-N 442.997 5.393 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2ccc(Br)cc2)nnc1-c1ccccc1F 645077319 WYEAKCNMPHUNSS-CYBMUJFWSA-N 446.345 5.396 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 673719065 IGTJLGKQIGEJNK-UHFFFAOYSA-N 434.336 6.239 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)nc2ccccc21 673811755 IMJJNNMVLAIDDV-AWEZNQCLSA-N 426.423 5.206 30 20 IKED O=C(c1ccc(-c2cc(F)c(F)c(F)c2)cc1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674443218 AANIITIYGSIBDX-CHWSQXEVSA-N 441.293 5.584 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1 726940341 FNCWWCZAPZKUJD-UHFFFAOYSA-N 426.545 5.496 30 20 IKED COc1cc(C#N)ccc1OC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 727706556 USRJQCAATJCCOR-UHFFFAOYSA-N 429.407 5.006 30 20 IKED N#Cc1cccc(COc2ccc(NCC(=O)Nc3ccc(F)cc3Cl)cc2F)c1 728200631 MPCOFCWIBQQKKS-UHFFFAOYSA-N 427.838 5.119 30 20 IKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(F)c(Cl)nc3Cl)c2C#N)C1 728804570 ZKVSFERUGNXEPV-VIFPVBQESA-N 426.344 5.864 30 20 IKED CCc1ccc(OCc2nn(CN(C)[C@H](C)CC#N)c(=S)n2[C@@H](C)c2ccccc2)cc1 728902461 PULIKYQNQRNABG-UXHICEINSA-N 449.624 5.356 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccn2Cc2ccncc2)cc1Cl 729319932 SFPYAPILAIEFMK-QFIPXVFZSA-N 426.907 5.493 30 20 IKED CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 730141964 VETUAGKBTVZANI-AUSIDOKSSA-N 448.567 5.111 30 20 IKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1nc2cc(F)ccc2s1 730417505 NYKOVFZHMHIFKO-OAHLLOKOSA-N 425.872 5.553 30 20 IKED C[C@H](c1nnc(SCc2ccc(OCC#N)cc2)n1-c1ccccc1)N1CCCCC1 731156318 OOBNTJILFRLQLY-LJQANCHMSA-N 433.581 5.009 30 20 IKED C#CCN(C(=S)Nc1ccc(Cl)cc1)[C@H]1CCOc2ccc(Br)cc21 733086514 JWAGPEDKKUDBBH-KRWDZBQOSA-N 435.774 5.258 30 20 IKED COC(=O)Nc1cccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 733623715 QPKBAZXEUZURNR-FQEVSTJZSA-N 434.883 5.818 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 734705761 FELPJMFPMFFYRM-QHCPKHFHSA-N 433.467 5.132 30 20 IKED Cc1nc(-c2ccccc2NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)no1 734998157 PNMIWEGJFCVGJQ-UHFFFAOYSA-N 430.851 5.615 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@H]2c2cccc(N(C)C)c2)c1=S 735484535 FJMWLTVRALBCJA-JOCHJYFZSA-N 449.624 5.136 30 20 IKED CN(Cc1cccc(NC(=O)Nc2cccc(OCCCC#N)c2)c1)C(=O)OC(C)(C)C 737029131 ZDOGREPDYQLQEM-UHFFFAOYSA-N 438.528 5.380 30 20 IKED N#C[C@@H](C(=O)Cc1c[nH]c2ccc(Cl)cc12)C(=O)Nc1ccc(SC(F)F)cc1 740529278 LKBKEJKIKDLNBW-INIZCTEOSA-N 433.867 5.026 30 20 IKED COc1ccc2c(c1)C(=O)/C(=C/c1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)CC2 741847662 JNQBDVKSHOLHOG-LFIBNONCSA-N 438.936 5.702 30 20 IKED COc1ccccc1-c1nnc(S)n1N=Cc1cc(Cl)ccc1OC1CCCC1 743426024 FWUBLVXHYZYNBI-UHFFFAOYSA-N 428.945 5.099 30 20 IKED CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc(C#N)o2)NC(=O)N1Cc1cccs1 743743347 XNSOJKJWGNHCNI-JOCHJYFZSA-N 446.532 5.009 30 20 IKED N#C[C@@H](COC(=O)CCc1nc2cc(Br)ccc2s1)Cc1ccc(F)cc1 744076049 XCPUQPHYOGTSIM-AWEZNQCLSA-N 447.329 5.056 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cccc(COC(C)(C)C)c2C)ccc1OC 747573224 AUYWREJDEAJFBG-HXUWFJFHSA-N 439.556 5.321 30 20 IKED N#Cc1ccccc1-c1ccc(COC(=O)c2csc(Cc3ccc(N)cc3)n2)cc1 751932227 SSDYZMZBZRYHRE-UHFFFAOYSA-N 425.513 5.212 30 20 IKED COc1cc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)ccc1OCc1ccccc1 752047274 FKXQJAZZFXVHSN-RPWUZVMVSA-N 426.516 5.186 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Cc2sc(C)nc2-c2ccc(C)cc2)cc1C#N 752199554 IVTXRKQAASGDCM-UHFFFAOYSA-N 434.521 5.048 30 20 IKED Cc1nccc(NCc2cccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c2)n1 755049344 QAICZVQAFJJQDM-VWLOTQADSA-N 433.515 5.305 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 756940792 YCPDXEYWJJFGKW-AREMUKBSSA-N 444.506 5.384 30 20 IKED CCOc1c(Cl)cc(C=NO[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cc1OC 758409664 BEMMWZQEKSGLPQ-OAHLLOKOSA-N 429.904 5.526 30 20 IKED COc1ccc(OC)c(CCCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 759618632 LSWBTCVUOIFWJN-DEOSSOPVSA-N 429.520 5.114 30 20 IKED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 763765920 BBXBDSJBLRCZEZ-UHFFFAOYSA-N 448.461 5.054 30 20 IKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)O[C@H](C#N)C(C)(C)C 765635477 YMKLFXQRXFDGGK-CZUORRHYSA-N 441.578 5.167 30 20 IKED O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1c(C(F)(F)F)ccnc1Cl 767145639 LLAZNCAFALWIAK-UHFFFAOYSA-N 448.697 5.669 30 20 IKED Cc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1NC(=O)OC(C)(C)C 772117237 HIQGZANZQLHOIK-HNNXBMFYSA-N 425.554 5.846 30 20 IKED CCN(CC)[C@@H](C(=O)[C@H](C#N)c1ccc2ccccc2n1)c1cccc(C(F)(F)F)c1 780304058 ZSBRLJUSKCIZIG-DENIHFKCSA-N 425.454 5.513 30 20 IKED C[C@@H](OC(=O)c1coc(C2CCCCC2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 786431291 LDLMHQNUVZJGGK-CQSZACIVSA-N 441.553 5.108 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c2ccccc2n1 787050733 LQCOLQDTRKSALR-FZKQIMNGSA-N 426.303 5.050 30 20 IKED CC(=NNc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccc(C(=O)N(C)C)cc1 792942940 WSZYQKYWEWBGKQ-UHFFFAOYSA-N 433.512 5.035 30 20 IKED CN(CCc1ccccc1)C(=O)c1ccccc1N(C)C(=O)C[C@H](CC#N)c1ccccc1 793465613 WMIQZKDPEKPAPU-DEOSSOPVSA-N 439.559 5.052 30 20 IKED N#CC1(CCCOC(=O)[C@@H](Sc2ccccc2Cl)c2ccccc2)CCOCC1 800163232 CYJSGJTZDHEEJS-NRFANRHFSA-N 429.969 5.817 30 20 IKED C[C@@H](NC(=O)[C@H](C#N)C(=O)c1ccc(Cl)c2ncccc12)c1ccc(Cl)cc1Cl 802218841 LRVXEHCWXGBAGY-BDJLRTHQSA-N 446.721 5.395 30 20 IKED CN1[C@H]2CC[C@H]1CC([C@@H](NC(=S)Nc1ccccc1C#N)c1ccc(Cl)cc1)C2 802721277 RVLCTLCCRNMESP-ONTIZHBOSA-N 425.001 5.112 30 20 IKED O=C1C[C@@H](C(=O)O[C@@H](c2ccc(C(F)(F)F)cc2)C(F)(F)F)c2ccc(F)cc2N1 809128257 RDLDGTPWBPCIDG-CJNGLKHVSA-N 435.295 5.117 30 20 IKED N#C[C@@H](C(=O)C12CC(C(F)(F)F)(C1)C2)c1nc(-c2ccc(Cl)cc2Cl)cs1 810531298 GVUMMQSAZUBBBN-OSSATUEASA-N 431.266 6.026 30 20 IKED Cc1cc(C(F)(F)F)nn1CC(=O)O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 810602796 WBRAKKLPIUCMOB-ZDUSSCGKSA-N 434.258 5.076 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)c1 813641701 JQVZCAULMFVVIO-NQIIRXRSSA-N 429.973 5.097 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)CCCc1c[nH]c2ccccc12 864189356 OOCUGFGMFSUSRE-UHFFFAOYSA-N 427.298 5.129 30 20 IKED COc1cc(C=Nn2c(S)nnc2-c2ccccc2C)c(-c2ccccc2)cc1OC 915270884 UHQVFCGTHOQZKU-UHFFFAOYSA-N 430.533 5.109 30 20 IKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1F 915353607 PHJJCMUPWKNOAF-UPVQGACJSA-N 439.494 5.126 30 20 IKED CC(C)(C)C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 915774515 AZBLRHCWUHRSQV-DQEYMECFSA-N 439.559 5.574 30 20 IKED Cc1ccc(-c2nnc(S)n2N=Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1 916306715 WDIDYCAKBSLNCQ-UHFFFAOYSA-N 447.951 5.330 30 20 IKED CCCOc1c(Br)cc(/C=C\C(=O)c2ccc(OCC#N)cc2)cc1OCC 916549324 LGHBEVCTBXTBIT-YHYXMXQVSA-N 444.325 5.435 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 916903478 OPTCGVRFZQIETK-XSEIIIHRSA-N 446.547 6.040 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)COC(c2ccccc2)c2ccccc2)cc1 916954200 GHTRPMXRQZVDMN-NLFFAJNJSA-N 440.543 5.654 30 20 IKED CCOC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916977519 UKJWJIJYFMWNCB-QGZVFWFLSA-N 425.897 5.522 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\CCOc3ccc(C)cc3C2=O)cs1 917563578 PCFFXAHQFPDPDD-FOWTUZBSSA-N 438.936 5.838 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cccc4ncccc34)cc2)CCC1 1788906211 BYIKPIMDLZMVRY-UHFFFAOYSA-N 425.532 5.176 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)nc4ccc(O)cc34)cc2)CCC1 1789242677 BBCPFHZKWVXGNF-KRWDZBQOSA-N 443.547 5.209 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4ccncc34)CCC2)cc1 1789457984 IVVXGLKUAGXXKW-QHCPKHFHSA-N 439.559 5.751 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)no3)cc2)CCC1 1789785278 YURGLGCAGSSSEY-UHFFFAOYSA-N 441.531 5.283 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](F)c4ccccc4)CCC3)cc2)cc1 1790285680 ORWYMCMLQHKIOR-QHCPKHFHSA-N 427.479 5.017 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(OC)cc3Cl)CC2)C1 1804868499 DHCMUCWPSFGWNN-UHFFFAOYSA-N 447.019 5.186 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cccc(C)c3Cl)CC2)C1 1805459285 IQRXOWUZIOCUIG-UHFFFAOYSA-N 429.004 5.262 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](c3ccc(F)cc3)C(C)C)CC2)C1 1823703267 VAIYXISLKLQUHF-RPBOFIJWSA-N 440.603 5.151 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCCCC2(F)F)CC1 1824648358 WFIYHRQDZJFYQP-FSSWDIPSSA-N 436.587 5.200 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C(F)(F)F)CCC2)CC1 1828825422 VSZNFUHCYCHKAJ-VQTJNVASSA-N 440.550 5.107 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)nc2)CC1 1829520617 LJQLIEISVQZGHK-HFZDXXHNSA-N 445.607 5.194 30 20 IKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1830063844 FYZUCLSOEAXXLY-LVXARBLLSA-N 443.591 5.169 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)C1 1843459232 PEUQHJRGPBXPGE-UHFFFAOYSA-N 440.971 5.409 30 20 IKED COc1ccccc1N/C(S)=C(/C(=O)c1ccc(C(C)C)cc1)[n+]1ccc(N(C)C)cc1 10118303 NZDXOELYNBXUPW-UHFFFAOYSA-O 448.612 5.223 30 20 IKED Cc1cc(C(=O)/C(=C(\S)Nc2ccc(C)c(C)c2)[n+]2ccc(N(C)C)cc2)c(C)s1 11163945 KVSLPVRHXLTYSX-UHFFFAOYSA-O 438.642 5.386 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c(C)c1)=C(/S)Nc1cccc(Cl)c1C 11257328 ZLELSWSOOFFILL-UHFFFAOYSA-O 438.016 6.166 30 20 IKED CCn1c(SCC(=O)Nc2ccc(CC#N)cc2)nnc1-c1ccc(C(C)(C)C)cc1 20068345 YMZQVVYCCSSISC-UHFFFAOYSA-N 433.581 5.059 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2cc(C)[nH]c2C)[n+]2ccc(C(C)(C)C)cc2)c1 23604572 FSOJYQNEYSAUAW-UHFFFAOYSA-O 434.629 5.830 30 20 IKED C[C@H](Sc1nccn1-c1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 24320257 PLTJAVRJRAASFO-LBPRGKRZSA-N 428.970 5.067 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3cccs3)no2)nc2sc3c(c2c1=O)CCC3 26022694 APWWWEODMOPTEV-NSHDSACASA-N 442.591 5.098 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3cccs3)no2)nnc1-c1ccccc1OC 26037851 KVBMDJWUTAFSCS-ZDUSSCGKSA-N 425.539 5.105 30 20 IKED C[C@H](Sc1nc(-c2ccco2)nc2ccccc12)C(=O)N(CCC#N)c1ccc(F)cc1 28663002 WYJOJEHJBSKIIT-INIZCTEOSA-N 446.507 5.456 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)CSCc1ccc(Br)cc1F 64934856 SPZNISZLQSFSJB-UHFFFAOYSA-N 437.334 5.119 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 107576437 ZPJGRJCMNFDHBH-CQSZACIVSA-N 443.922 5.247 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccc(-c4ccccc4F)o3)n2)cc1 108978484 JGMRGXVXAMWTBN-FQEVSTJZSA-N 446.503 6.027 30 20 IKED C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccccc1Sc1ccccc1C#N 115181332 MXXFYYHXCNUXQT-GOSISDBHSA-N 439.544 5.123 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)COc2ccc(F)cc2Cl)cc1 117330040 NXOOLHKBZPNLCB-UHFFFAOYSA-N 426.850 5.098 30 20 IKED CC(C)Oc1ccc(CC[C@@H](C)NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1 428261610 VCIYCURPZRFSKT-HXUWFJFHSA-N 430.552 5.002 30 20 IKED COc1ccc(CCN(Cc2ccsc2)C(=O)Nc2ccc(CC#N)cc2)cc1OC 429227206 DECGLXREALLLGM-UHFFFAOYSA-N 435.549 5.108 30 20 IKED Cc1noc(C[C@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c2ccccc2)n1 429409056 QGCRUPZWZYCTRD-QFIPXVFZSA-N 439.475 5.148 30 20 IKED CC(F)(F)c1ccc(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 432920483 ZQAYANUEIVANSE-UHFFFAOYSA-N 434.446 5.244 30 20 IKED Cc1ccc(C)c(-n2ncc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2C)c1 435746501 YABYETINTLITHP-FQEVSTJZSA-N 437.528 5.283 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 436360656 GCDNPNJZJKEUTA-RTWAWAEBSA-N 434.927 5.011 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cc(F)c(O)c(Cl)c1 436543869 JTFYUQDBPNWZFR-CYBMUJFWSA-N 429.719 5.627 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCc3coc(-c4ccccc4)n3)cc2F)c1 437952348 JEFVSLRYJFOBAN-UHFFFAOYSA-N 442.450 5.253 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(COCc2ccccc2)cc1 438365744 SJIOKUBWXRJIAF-IZZNHLLZSA-N 425.532 5.707 30 20 IKED C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 439362872 WHHHRQZAJGYTQT-URXFXBBRSA-N 439.559 6.132 30 20 IKED CCCc1c(NC(=O)N2CCCCC[C@@H]2c2c(C)n[nH]c2C)cnn1-c1cccc(C#N)c1 439680408 DUSUWUYJUVDBGV-HSZRJFAPSA-N 445.571 5.186 30 20 IKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cc2ccccc2o1 443415043 DQFJIGWEYHNTOX-GOSISDBHSA-N 425.488 5.961 30 20 IKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cnn(-c4ncccc4C#N)c3)o2)cc1 461323552 OLALFBQPBHYPGV-UHFFFAOYSA-N 446.470 5.022 30 20 IKED N#Cc1cc(Cl)ccc1N1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 462852959 NOGLNHHIMOXGQO-UHFFFAOYSA-N 439.840 5.024 30 20 IKED C[C@@H](CC(F)(F)F)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 464465329 JADDLORDGFBGNX-BAPPCMJTSA-N 439.362 5.566 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc(C2CCCCC2)no1 464719240 OXIKWVKDUNWWFH-QGZVFWFLSA-N 430.508 5.467 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(C(F)(F)F)ccc2C)cc1C 465462700 HPBYRIZJWJEDML-UHFFFAOYSA-N 426.442 5.660 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)N(CCC#N)Cc1ccccn1 467282322 OZSVHLMKLIIMFV-UHFFFAOYSA-N 447.926 5.244 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(Sc3ccccc3Cl)nn2)c1 468907241 JAOHDRGTSVBNJQ-UHFFFAOYSA-N 432.839 5.007 30 20 IKED C=CCn1c(SC[C@H](O)CC(F)(F)F)nc2sc(-c3ccccc3)c(C)c2c1=O 470017174 HVMLJCDSKNFBCU-CQSZACIVSA-N 440.512 5.025 30 20 IKED N#CC(CCN1CCC(NC(=O)Nc2ccccc2)CC1)(c1ccccc1)c1ccccc1 472567841 TZPXQJHOQOKRBK-UHFFFAOYSA-N 438.575 5.172 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cc2cccc(F)c2o1 475364532 DECRSIVEJWIYID-OAHLLOKOSA-N 443.434 5.052 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)c2cc3occc3s2)CC1 475542904 AUAKCZKSORBUOH-UHFFFAOYSA-N 437.565 5.336 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(Cc4ccccc4F)s3)n2)cc1 478532581 APYCIFZUTSVTPR-KRWDZBQOSA-N 449.532 5.495 30 20 IKED C=C(C)Cn1c(SCC(=O)N2CCC[C@@H]2c2ccccc2Cl)nnc1-c1ccco1 480512529 GNQWDADCVHTIBC-GOSISDBHSA-N 442.972 5.223 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 481973902 ATXBHKXZUKZRIC-RTWAWAEBSA-N 439.441 5.195 30 20 IKED C=C(C)[C@@H](NC(=O)c1c(Cl)cccc1I)c1ccc(F)c(F)c1 484426461 CWOKTAUBAXCBGJ-MRXNPFEDSA-N 447.650 5.270 30 20 IKED C=CCn1c(S[C@H](CC)C(=O)c2ccc(NC(C)=O)cc2)nnc1-c1cccc(C)c1 484725532 GIOJEGFYXPGDBC-OAQYLSRUSA-N 434.565 5.152 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N(C)c1ccccc1C#N 489229144 ZRPZKSCBEHQAQA-UHFFFAOYSA-N 430.533 5.173 30 20 IKED CC(C)CN(C(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)c1ccc(C#N)cc1 499307271 FFPJLBNSCOJWOD-NHCUHLMSSA-N 447.579 5.029 30 20 IKED COc1ccc(-c2cc(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)sc2C)cc1 499396372 SAPPGKUSLSBHJR-IBGZPJMESA-N 441.350 5.489 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 503516799 OXWWWGKXYRLNJO-FXAWDEMLSA-N 449.368 5.009 30 20 IKED N#Cc1ccc(CCC(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc1 504759184 JSHZFYKADLHCPX-UHFFFAOYSA-N 437.421 5.401 30 20 IKED Cc1nc(COc2cccc(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)c2)cs1 505511171 AQZSMQIPEOQZIS-GOSISDBHSA-N 432.332 5.332 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CN[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 505851537 NJCWBVMBVKILTI-MRXNPFEDSA-N 435.755 5.062 30 20 IKED C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@H](c2ccco2)C1 508746529 KSYIHMUCFJAEOP-XLIONFOSSA-N 442.947 5.045 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3cccc(CSc4ccccn4)c3)CC2)c(F)c1 509531577 DZSXDRGMVYFDBG-UHFFFAOYSA-N 446.551 5.240 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N(Cc3ccc(F)cc3)C3CC3)c2)cc1 509898036 KBOAGGQKOPRFJK-UHFFFAOYSA-N 429.495 5.667 30 20 IKED CC(C)(CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1cccs1 511830575 CNBKIBVPQJORMR-UHFFFAOYSA-N 449.601 5.058 30 20 IKED CCN(Cc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1)C1CC1 512233835 ISWDRVIPTFZBHK-UHFFFAOYSA-N 439.559 5.568 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1 513152973 FFQXNAGMXHTHII-LJQANCHMSA-N 437.446 5.754 30 20 IKED Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2nc3ccccc3n2C)c1 513677117 QTAACHRFEKDBET-NRFANRHFSA-N 431.499 5.225 30 20 IKED N#C[C@H](C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1nc2ccccc2s1 513695871 NSZLYSGMOCURNI-OAHLLOKOSA-N 445.504 5.235 30 20 IKED CC(=O)c1sc(NC(=O)c2ccc(COc3ccccc3C#N)o2)nc1-c1ccccc1 513828674 NZLNLJYCJRVCJR-UHFFFAOYSA-N 443.484 5.309 30 20 IKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1nc2ccccc2n1C(F)F 515540439 UEUVEOCQUFOFFM-SFHVURJKSA-N 430.414 5.174 30 20 IKED C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 516060228 RCCNQMIYGAVCIT-QHCPKHFHSA-N 443.934 5.149 30 20 IKED N#Cc1c(F)cc(CNC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1F 517192851 LQUYZHKMSKWPLH-UHFFFAOYSA-N 436.245 5.047 30 20 IKED C[C@H](Cc1ccc(Br)cc1)NC(=O)Nc1ccccc1S[C@H](C)CC#N 517529558 GZDGWBLEYJWOGI-HUUCEWRRSA-N 432.387 5.596 30 20 IKED COc1ccc2nc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)ccc2c1 518147985 LNALFHAQMGMERE-UHFFFAOYSA-N 431.439 5.520 30 20 IKED CCOc1cc2c(cc1NC(=O)c1ccc(OCc3ccccc3C#N)cc1)O[C@@H](C)C2 519142148 ULFKIBPEJUVSNJ-KRWDZBQOSA-N 428.488 5.112 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3sccc3C)o2)c1 519321473 RUHKLUBPLMDLSQ-MRXNPFEDSA-N 426.567 5.151 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(CN(C)Cc2ccccc2)CC1 519450281 YZNASXPRKXRYDK-FQEVSTJZSA-N 436.625 5.314 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCCc3ccc4nc(O)[nH]c4c3)cc2Cl)cc1 521250117 MHBDQQFXYYMWEO-UHFFFAOYSA-N 446.894 5.547 30 20 IKED N#C[C@@H](C(=O)c1ccccc1COc1ccccc1)c1nc(-c2c(F)cccc2F)cs1 521261485 SYUOJJOEGDSLFT-IBGZPJMESA-N 446.478 6.157 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCSc1ccccc1Br 521725512 CURXJMSISLOCIW-AWEZNQCLSA-N 435.412 5.822 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 521746544 KKBXDTBGHWYOQI-OAHLLOKOSA-N 433.499 6.154 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1occc1COc1cccc(C#N)c1 522573665 HLVMDDGMOWQYSM-MRXNPFEDSA-N 443.528 5.653 30 20 IKED C=CCN(C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 523844896 ZTGSNTHREJETNG-HZPDHXFCSA-N 441.459 5.319 30 20 IKED Cc1nc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nc2ccccc12 524004292 HLVCHOVFUIRGTB-NRFANRHFSA-N 441.922 5.569 30 20 IKED CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 524985397 ZLZJXDWOFKNTLQ-UHFFFAOYSA-N 433.895 5.851 30 20 IKED Cc1nc(NC(=O)c2c(F)cc(C#N)cc2F)sc1Cc1cccc(Br)c1 530789631 JXUNBDQDIWFIPX-UHFFFAOYSA-N 448.292 5.207 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1ccc([S@](C)=O)cc1 535972094 CIDDWBKSMZNEKO-UPTQXZAWSA-N 447.560 5.066 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(C(=O)OC(C)(C)C)c3)n2)cc1 536715790 JHAUVKLHCVGYKQ-IBGZPJMESA-N 434.517 5.264 30 20 IKED N#Cc1ccc(CN2CCC(NCc3cccc(COCc4ccccc4)c3)CC2)cc1 537295527 IZRFTEQOEHQEPC-UHFFFAOYSA-N 425.576 5.029 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 537493222 PEWWIUZPRUOJCJ-CTNGQTDRSA-N 443.469 5.138 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1ccc(Cl)cc1)C1CCC1 539308429 JDPQGKAKNQMLRY-HJPURHCSSA-N 428.001 5.661 30 20 IKED CC(C)N(Cc1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1)C[C@H]1CCCCO1 539697598 RBWYRZMABUWDLU-RUZDIDTESA-N 431.580 5.274 30 20 IKED C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCC#Cc1ccc(C(F)(F)F)cc1 540187367 XGZRTFVFAYVXDL-AWEZNQCLSA-N 428.376 5.083 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1ccc(F)cc1F)C(C)(C)C 540425304 OBPSRWWYURVZHC-NYHFZMIOSA-N 431.552 5.532 30 20 IKED N#CCC1CCN(C(=O)NCCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 543776439 OTOQBTXQSYRQOY-UHFFFAOYSA-N 447.970 5.070 30 20 IKED C=C(C)[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(F)c(F)c1 547492131 ZFWIZUZKQNTZBU-FQEVSTJZSA-N 439.428 5.029 30 20 IKED CCc1nc2cc(CNC(=O)Nc3ccccc3SC[C@H](C)C#N)ccc2n1C1CC1 549232112 SEJOFIVONHFCRS-MRXNPFEDSA-N 433.581 5.507 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)nc2sccc2c1=O 553787222 XLVMLUVQMWQOAH-JTQLQIEISA-N 440.377 5.070 30 20 IKED C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1ccccc1 558906453 ICMXWUHRRQRHNS-SFHVURJKSA-N 435.959 5.250 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1 561213901 IHCXCCNUKCNODY-HSZRJFAPSA-N 443.515 5.488 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCC(C)(C)CCC#N)c(OC)c1 576643184 JCLSMYDADQIPGQ-UHFFFAOYSA-N 433.552 5.231 30 20 IKED CCO[C@H](c1noc(CSc2ccc(C#N)cc2)n1)c1ccc(F)cc1C(F)(F)F 576788352 DLJRMYIGIAWOPR-SFHVURJKSA-N 437.418 5.517 30 20 IKED C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 580372002 DJSDQQINDCAWFB-HXUWFJFHSA-N 429.589 5.101 30 20 IKED COc1cc(C(=O)NCC(C)(C)CCC#N)ccc1OCc1ccc(Br)cc1 581568980 IGCNCUDDDIZUAT-UHFFFAOYSA-N 445.357 5.096 30 20 IKED COc1cc(CNCc2ccc(-c3ccccc3C#N)cc2)cc(OC)c1OCC(F)F 581748638 JLCYEHFGTKHKFY-UHFFFAOYSA-N 438.474 5.176 30 20 IKED CCOCCOCc1cccc(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1C 582390486 LCKQMCYWDDRCRW-UHFFFAOYSA-N 446.507 5.251 30 20 IKED Cc1cc(Br)oc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603766745 WMSFQCBNCSDHDU-INIZCTEOSA-N 429.701 5.912 30 20 IKED COc1ccc2oc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c(C)c2c1 603814302 DOTYNUNWFXKLFC-UHFFFAOYSA-N 426.472 5.647 30 20 IKED CCCCc1ccc([C@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C(C)C)cc1 604127384 WDSPVJFKDKBYNI-RUZDIDTESA-N 431.584 5.007 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(CCc3ccccc3)Cc3cccnc3)cn2)cc1 604230546 LUKRXKYRTCYXBT-UHFFFAOYSA-N 449.514 5.417 30 20 IKED CCS[C@@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)C(C)C 608937594 BXCOBCZBBATTOA-MRXNPFEDSA-N 427.517 5.341 30 20 IKED C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 609028603 IGBLNNLIQJOICR-SBUREZEXSA-N 447.516 5.035 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(CN(C)C(C)C)CC1 609078898 CEHNIVNHGRFLCR-UHFFFAOYSA-N 434.584 5.030 30 20 IKED COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)c2cc3ccccc3n2CC#N)cc1 609167758 VTDBSRQDGWSDOK-QHCPKHFHSA-N 427.479 5.026 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 609436053 UIQAKTDDWLQXDW-CVDCTZTESA-N 443.572 5.120 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(SCc4cccnc4)cc3)cc2)nc1 609497993 FCRBQOPCUBHIFN-UHFFFAOYSA-N 438.512 5.685 30 20 IKED COc1ccc(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)cc1NC(=O)C1CCCCC1 609697541 GYMWJBVTVYBJBF-XMMPIXPASA-N 449.551 5.128 30 20 IKED CN(Cc1nc2ccccc2n1C)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 609732313 PRRCNRAZWVWSAX-UHFFFAOYSA-N 430.895 5.163 30 20 IKED COc1cc(CN2CCCO[C@@H](c3ccccc3)C2)ccc1OCc1cccc(C#N)c1 609739070 WAOJTTSANQKDKJ-HHHXNRCGSA-N 428.532 5.109 30 20 IKED Cc1ccc(CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C2CC2)cc1C 610141290 RGOAWVWCXGYPBU-UHFFFAOYSA-N 439.559 6.145 30 20 IKED CC(=O)Nc1c(C)ccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C 611814579 RPPVXXKUVKVFEN-SFHVURJKSA-N 426.520 5.683 30 20 IKED C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 670203601 DEWCMNGDNAHHST-WMZHIEFXSA-N 441.535 5.056 30 20 IKED COc1ccc(-c2ncc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)s2)cc1OC 683689736 KTJJPRQYICCMHH-ZDUSSCGKSA-N 439.493 5.066 30 20 IKED COC1CCN(c2ccc(NC(=O)N[C@H](C)c3ccc(C#N)cc3)cc2C(F)(F)F)CC1 728124133 HRJDZQNSAWTHMA-OAHLLOKOSA-N 446.473 5.075 30 20 IKED CCN(Cc1ccccc1NC(=O)c1cc2ccccc2n1CC#N)C(=O)OC(C)(C)C 729322094 AVHQDLRPPZCCMS-UHFFFAOYSA-N 432.524 5.174 30 20 IKED COc1cccc([C@@H](C#N)NC(=O)CCN2c3ccccc3Sc3ccccc32)c1OC 729426341 QASNENMHESSERF-GOSISDBHSA-N 445.544 5.078 30 20 IKED COC(=O)c1ccc(/C=C\C(=O)c2sc(-c3ccccc3Br)nc2C)o1 730148829 MUDHYRYGDNLERP-CLFYSBASSA-N 432.295 5.157 30 20 IKED C[C@H](C#N)CSc1ccccc1NS(=O)(=O)/C=C\c1ccc(Br)cc1 730997862 XAGJSAHCRIYTAW-IWMPZKFUSA-N 437.384 5.113 30 20 IKED CC(C)Sc1ccc(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 731073090 AFEXHSSPHYJNLC-INIZCTEOSA-N 428.579 5.377 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 731109792 RLBWEJQNBDKJBL-IZZNHLLZSA-N 443.522 5.459 30 20 IKED CC(C)n1cc(/C=C2\CCc3nc(-c4ccccc4Br)sc3C2=O)cn1 732714330 QAJDZHYIRKDZNK-NTEUORMPSA-N 428.355 5.563 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc(-c3ccco3)nc3ccccc23)ccc1OC 733231612 DJVUUAMTEFQSPN-SFHVURJKSA-N 441.487 5.114 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1 733622758 YTARIWYJOAXCQI-RPBOFIJWSA-N 427.504 5.544 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)ccc1OC 733648953 NLPPXVGXEMFYMS-OFNKIYASSA-N 441.959 5.370 30 20 IKED C[C@@H](Sc1ccc(Br)cc1)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 734081775 RJMUZUOKLWNZKR-WBMJQRKESA-N 444.379 5.325 30 20 IKED CC(C)Oc1ccc([C@@H](O)CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 734870660 JBPHCNZIMXGXBP-DEOSSOPVSA-N 446.572 5.101 30 20 IKED C[C@H](OC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)N(CCC#N)c1ccccc1 738740584 AZUIWQBOWZRIGF-IRXDYDNUSA-N 432.442 5.078 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1 739153800 DUPJFCJDIVUSHF-IAQYHMDHSA-N 443.252 5.853 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)c3ccccc3SCc3cscn3)c2)s1 739596162 SSUFFAVIEWENTP-UHFFFAOYSA-N 447.610 5.966 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)NCc3csc(Br)c3)c2)s1 740030408 NBQMQXOXIAARCH-UHFFFAOYSA-N 432.368 5.110 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(SC)c(F)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 741847528 OXZCKJJESDQGGF-HYXAFXHYSA-N 445.390 5.302 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(c2ccc(C)c(F)c2)C(=O)N[C@H]1c1scnc1C 743743086 YIGOKDXXCWMPPX-HXUWFJFHSA-N 439.487 5.309 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)C3(c4cccc(C(F)(F)F)c4)CCCC3)o2)c1 744617629 CYSWJJUBRWTTOQ-UHFFFAOYSA-N 441.409 5.182 30 20 IKED COc1cc(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)cc(Cl)c1OCC(C)C 746485783 UYZWCKFTDYBZKR-UHFFFAOYSA-N 438.267 5.069 30 20 IKED CC[C@@H](C)n1c(SCC(=O)[C@@H](C#N)c2nc(C(C)C)cs2)nnc1-c1ccccc1 747197980 QOWHGNLORYWGOG-NVXWUHKLSA-N 439.610 5.465 30 20 IKED CC(=O)C1=C(c2ccc(C)cc2)N(Cc2cccs2)C(=O)N[C@@H]1c1cc(C#N)cs1 747960148 PAJUSVVFDOGFMR-OAQYLSRUSA-N 433.558 5.257 30 20 IKED C[C@@H](C[C@H](O)c1cccs1)NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 752288327 VYPHESFVHYIAAK-LIRRHRJNSA-N 426.925 5.307 30 20 IKED C[C@H](OC(=O)CSCc1ccc(C#N)cc1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 761083547 GNGHBUCZAGYREE-LBPRGKRZSA-N 448.331 5.453 30 20 IKED CC(=O)N(c1nc(/C=C2/CCc3ccc(Cl)cc3C2=O)cs1)c1ccc(F)cc1F 761206016 MTSCVHDZABPYML-ZSOIEALJSA-N 444.890 5.972 30 20 IKED CCC[C@H](NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)c1cccc(C(F)(F)F)c1 761688179 TYOBYEYAJGSZMM-SFTDATJTSA-N 431.458 5.201 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)Nc3cccc(Cl)c3SCC(F)F)CCO2)c1 761866213 SIQLMSAESCMJRU-KRWDZBQOSA-N 437.899 5.174 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cc(C)ccc2OC(F)F)cs1 762602169 HBLTUCGWZVSCCU-JXMROGBWSA-N 442.487 5.942 30 20 IKED CN(Cc1cccc(NC(=O)c2cn(CCCC#N)c3ccccc23)c1)C(=O)OC(C)(C)C 767586889 PGEIFNURFCBDID-UHFFFAOYSA-N 446.551 5.564 30 20 IKED CC[C@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(O[C@H](C)C#N)cc1 768179380 AWSDBGPYQYBFFB-DLBZAZTESA-N 433.474 5.235 30 20 IKED Cc1cccc([C@@H]2NC(=O)N(c3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2=O)c1C 771821441 ZKNYZKBBIIPRRP-GGAORHGYSA-N 429.907 5.410 30 20 IKED C[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)C(=O)c1ccc(Cl)cc1 777310544 UWVXUAUZYSXDJJ-IFXJQAMLSA-N 433.920 5.421 30 20 IKED COc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1NC(=O)C1CCCCC1 777698956 YUGJVHNBLWFPAT-UHFFFAOYSA-N 446.595 5.162 30 20 IKED Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl 778296897 DXQHMDGDGJORIX-GFCCVEGCSA-N 431.851 5.011 30 20 IKED O=C(N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1sccc1SC(F)F 779459828 UVXDJMOKPBYNAG-NSHDSACASA-N 433.370 5.698 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2cc3ccccc3s2)cs1)c1ccc(F)cc1F 780187482 CRZPFVDOLQVONF-CLFYSBASSA-N 440.496 6.217 30 20 IKED CCOc1ccc([C@@H](NC(=O)Nc2ccccc2O[C@H](C)C#N)C(C)C)cc1OCC 780673882 GERSNTRDPQHHAA-HXOBKFHXSA-N 425.529 5.294 30 20 IKED FC(F)Oc1ccc2ccccc2c1C=Nn1c(S)nnc1CSc1ccccc1 782240834 NPTXURHSOFQYDX-UHFFFAOYSA-N 442.516 5.496 30 20 IKED CCCN(C(=O)c1ccc(F)c(C#N)c1)c1cccc(NC(=O)c2ccc(F)c(C#N)c2)c1 790292092 LUUQPGFMUURETM-UHFFFAOYSA-N 444.441 5.017 30 20 IKED C[C@@H](NC(=O)[C@H](C#N)C(=O)Cc1cccc(C(F)F)c1)c1ccc(Cl)cc1Cl 790796361 XVFMIVXXRDMYDC-BDJLRTHQSA-N 425.262 5.060 30 20 IKED CC(C)[C@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)C(=O)Nc1ccccc1C(F)(F)F 796039310 MXVSYVWITDSUQK-IBGZPJMESA-N 432.442 5.327 30 20 IKED C#CCN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1 796639097 GIZVQQZNMMRTKY-UHFFFAOYSA-N 437.996 5.733 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(CCc2ccccn2)Cc2ccncc2)cc1 798009000 YPZRBDURYDMNPB-HHHXNRCGSA-N 447.542 5.409 30 20 IKED C[C@@H](C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccc(C(F)(F)F)cc1 798813974 CZDCJEOJAJZXLL-ABAIWWIYSA-N 445.466 5.274 30 20 IKED C=CCn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N(C)Cc1c(C)noc1C 800772431 ZWHQDPAXAYPJCQ-UHFFFAOYSA-N 440.507 5.181 30 20 IKED N#Cc1ccc(CSC2=N/C(=C\c3ccccc3)C(=O)N2c2ccc(F)cc2)c(F)c1 808783181 LJDGJZBYVXCHCI-XKZIYDEJSA-N 431.467 5.514 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCN(c4ccccc4Cl)C3)n2)cc1 810549175 INYKFMAZKNHTRT-WMZOPIPTSA-N 437.952 5.175 30 20 IKED CCN(CC)[C@H](C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)c1cccc(C(F)(F)F)c1 813215688 AWSBJUPAETUOQA-WMZOPIPTSA-N 443.391 5.379 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2sc3ccc(Br)cc3c2C)n1 815923825 HEOJLGRUFXISJR-GFCCVEGCSA-N 449.351 5.096 30 20 IKED O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)C(F)(F)c1c(F)cccc1F 857503236 YPSALOIIWASITN-SFHVURJKSA-N 449.366 5.360 30 20 IKED CCC(=O)Nc1ccc(N=Cc2cc(Br)cc(Br)c2O)cc1 915982018 MWAZFWLHIJSNHB-UHFFFAOYSA-N 426.108 5.016 30 20 IKED COc1ccc(C(=O)/C=C\c2cn(CCC#N)nc2-c2ccccc2)cc1Br 916134067 BTKUSIFLYCSZBB-NTMALXAHSA-N 436.309 5.131 30 20 IKED CC(C)c1ccc(SCC(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 916888774 YLNTVWDCDNNPJC-GOSISDBHSA-N 434.533 5.564 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c1 916896788 DBWPMVZTVQROTC-QGZVFWFLSA-N 442.302 5.237 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cn(CC(C)C)c2ccccc12 916898346 BHDCVDXQNHCTSI-QGZVFWFLSA-N 437.927 5.229 30 20 IKED N#C[C@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)C(=O)Nc1ccccc1 916899403 BCEQJTRECMOGGM-JOCHJYFZSA-N 443.453 5.393 30 20 IKED N#C[C@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)C(=O)Nc1ccccc1 916899871 GVEZWEFASHWXGU-JOCHJYFZSA-N 425.463 5.254 30 20 IKED CC(C)Sc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916904968 GWPQOBVFEKSYQS-NRFANRHFSA-N 430.529 5.941 30 20 IKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)oc2c1ccc1ccccc12 916926988 BTXBQTHFCLXRDB-KRWDZBQOSA-N 437.282 6.162 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CSc3cccc(C(F)(F)F)c3)n2)cc1 916971973 HFOLJCPRPYAJFW-QGZVFWFLSA-N 432.492 6.106 30 20 IKED COc1ccc2oc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c(C)c2c1 917042408 FDEPRFQXQKVXHC-CQSZACIVSA-N 430.407 5.868 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ccc2s1 917045651 ZFDBNIYEOXPUKH-CQSZACIVSA-N 436.842 5.808 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc2c(c1)Cc1ccccc1-2)[n+]1ccc(CC)cc1 917609444 HKDMBRHXIOPQLW-UHFFFAOYSA-O 427.593 5.485 30 20 IKED CCCOc1c(Br)cc(/C=C2\CCc3oc(C(=O)O)c(C)c3C2=O)cc1OC 920066391 ZSPLGXWLQONOPV-MDWZMJQESA-N 449.297 5.059 30 20 IKED CSc1nc(O)c(C(=O)N2CCCC[C@@H]2CCSc2ccc(Cl)cc2)cc1C#N 1440096425 NBXDIEYVULEGNG-MRXNPFEDSA-N 448.013 5.211 30 20 IKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)C4CC5(CCC5)C4)CCC3)cc2)cc1 1785797686 FCWNFZZJIOSWEK-UHFFFAOYSA-N 441.575 5.205 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@H](C)c3ccc(OC)cc3)cc2)CCC1 1786039334 YAVMTIOZPQTRGZ-FQEVSTJZSA-N 432.564 5.126 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C)cn3)CCC2)cc1 1786102518 OUPVLWZNSZYBSV-UHFFFAOYSA-N 431.580 5.225 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CS[C@H]3CCCCO3)cc2)CCC1 1789550193 OPBJJBZKSLPOOY-GGAORHGYSA-N 442.625 5.149 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3cnccc23)[nH]n1 1814828459 BKCUWMRACNCVIT-HSZRJFAPSA-N 443.551 5.032 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccsc2)n[nH]1 1815983518 BPACUELJBYLTDH-SGQUHAKNSA-N 426.586 5.169 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3occc3c2)[nH]n1 1819305688 NJGRQJIPBYATHG-TZIWHRDSSA-N 432.524 5.230 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C3CC3)cc2)n[nH]1 1821303507 AKDUWMXWYFDRAK-GGAORHGYSA-N 432.568 5.361 30 20 IKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ccccc23)[nH]n1 1822580068 RLWPSVITPOIZGM-QHCPKHFHSA-N 428.536 5.062 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc3ccccc23)CC1 1824141942 ARPJIFDVDJLYLE-SANMLTNESA-N 445.607 5.237 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3nc(C)sc23)CC1 1828096097 MOAUBDLFIMLZJE-JTSKRJEESA-N 439.625 5.050 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3occc3c2)CC1 1828256272 DNINWVODKHTFMU-DNQXCXABSA-N 434.580 5.435 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC2CCC2)CC1 1828903404 HJPZWDPFSXENJR-XMMPIXPASA-N 444.736 5.238 30 20 IKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCC3CCC3)CC2)c1Cl 1829685424 FWCVQKIQGOVIHO-QFIPXVFZSA-N 442.003 5.025 30 20 IKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)cccc2Cl)CC1)C(F)(F)F 1830598652 JMMXIFMADOKWPG-GOSISDBHSA-N 442.909 5.000 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(C)cc2C)cc1 10168913 XRZYJMQBRYTLCB-UHFFFAOYSA-O 429.609 5.693 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(F)cc2F)cc1 11248990 MOBUHLWDMFVRKS-UHFFFAOYSA-O 447.477 5.534 30 20 IKED N#Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(Br)cc3F)cc2)cc1 14738865 PRPZWZKXAICWMG-UHFFFAOYSA-N 425.257 5.144 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(F)ccc2F)nnc1-c1ccc(Cl)cc1 16862766 JQCYFLONESBETK-LBPRGKRZSA-N 434.899 5.182 30 20 IKED Cc1ccc(-c2nc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cs2)cc1 17343393 KGPIXHHGSXFRBL-UHFFFAOYSA-N 449.586 5.386 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)nnc1C1CC1 21667922 QMUOCCYEZRHTIB-MRXNPFEDSA-N 436.606 5.612 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)nnc1-c1ccccc1 21755415 PZOOSONEJVZSEH-OAHLLOKOSA-N 444.963 5.063 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1C#N 27099189 WQMZRAMVEOMUPI-UHFFFAOYSA-N 434.590 5.182 30 20 IKED CCN(C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccc(F)cc1 64290073 RMOHYHLUICSTAR-UHFFFAOYSA-N 439.327 5.375 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)cc1 111183490 OJHQHECSUCNPEY-UHFFFAOYSA-N 447.583 5.577 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2csc(-c3cc(Br)cs3)n2)nc2ccccc21 195580112 CIOHZQPARILSPZ-NSHDSACASA-N 443.351 5.011 30 20 IKED COc1ccc(-c2csc(NC(=O)CCCCOc3cccc(C#N)c3)n2)cc1F 303487146 PJNGNZRKPYUUST-UHFFFAOYSA-N 425.485 5.017 30 20 IKED C=CCN(C(=O)c1oc(-c2ccccc2)nc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 429923321 KGENXPVTTBSJKD-UHFFFAOYSA-N 446.488 5.515 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)s1 430607722 ZFMVGTAPSAMAHG-GOSISDBHSA-N 427.533 5.178 30 20 IKED Cc1ccc(C)c(NC(=O)Cc2nc(CN3CCC[C@H]3[C@@H](C#N)c3ccccc3)cs2)c1 430710708 TYVSOBLKWNUFGE-UPVQGACJSA-N 444.604 5.213 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 431185318 XWGOKOWNDFMSPG-KBPBESRZSA-N 441.944 5.524 30 20 IKED CC(C)(C)Oc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 438773759 PUFOJWAGBMEYSN-UHFFFAOYSA-N 429.476 5.105 30 20 IKED COc1ccc(-c2nc3c(s2)[C@H](NC(=O)N[C@H](CCC#N)c2ccccc2)CCC3)cc1 440213719 GZUFQGRSVAMGLG-IFMALSPDSA-N 446.576 5.540 30 20 IKED COc1ccccc1-c1csc(C2CCN(C(=O)NCC3CCC(C#N)CC3)CC2)n1 441043211 WHBIYTGHWVTHLM-UHFFFAOYSA-N 438.597 5.038 30 20 IKED CCOCc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 441631601 FTKDTEKTBIUVTC-UHFFFAOYSA-N 449.894 5.118 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccccc1CN1CCOCC1)c1ccc(C(F)(F)F)cc1 442206355 GNDPKYYSJRHFLA-NRFANRHFSA-N 447.501 5.367 30 20 IKED Cc1ccccc1-n1c(Sc2ccc(C(F)(F)F)c(C#N)n2)nnc1-c1ccncc1 443434022 UKIBRPXCTIBFGS-UHFFFAOYSA-N 438.438 5.074 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[C@@H]2CC(=O)c2cccs2)cc1 443670705 ATENFFGXPVGRIK-QGZVFWFLSA-N 434.492 5.429 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1N[C@H]1CCN(c2c(F)cccc2F)C1=O 445589027 PORUQEFRUZOMRU-HNNXBMFYSA-N 441.425 5.207 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)Nc3ccc(F)cc3C#N)C2)n1 446311767 LMGCJBVZKLWJSK-OAHLLOKOSA-N 436.512 5.241 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC(C(=O)c4ccc(F)cc4)CC3)cc2)cc1 447723381 OQXLWKDSXQXKRR-UHFFFAOYSA-N 442.490 5.419 30 20 IKED CCCNc1ccc(C#N)cc1NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 461698407 KLQUDFMPIGMYMX-UHFFFAOYSA-N 438.940 5.600 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CC[C@H](CSc3ccccc3)C2)cc1 464323020 DJBUTNINSGTIIV-FQEVSTJZSA-N 428.557 5.392 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccccc2Sc2nncn2C)cc1 464863532 UUWGYYKCPPIWNL-UHFFFAOYSA-N 441.516 5.191 30 20 IKED CCCCOc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 465452223 LMKBQSYSISZSBN-UHFFFAOYSA-N 447.495 5.112 30 20 IKED COc1ccccc1-n1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c1C 467187739 UHTSPUBYZMQLIT-GOSISDBHSA-N 428.517 5.111 30 20 IKED N#CCC[C@@H](NC(=O)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1ccccc1 468127538 AYPSOIKYCKBXSQ-LEWJYISDSA-N 430.577 5.260 30 20 IKED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(=O)Nc1ccc(C(C)(C)C)cc1 469193942 KLHYCJHBDNWAAH-GOSISDBHSA-N 432.568 5.006 30 20 IKED Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1 470254013 GZUNTTDFWPLTTR-CLJLJLNGSA-N 426.516 5.096 30 20 IKED CC(C)(C)c1nsc(Oc2ccc(NC(=O)Nc3ccn(CCC#N)n3)cc2Cl)n1 470504264 VLOJZEPTMRHMMZ-UHFFFAOYSA-N 445.936 5.035 30 20 IKED C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)C1CCN(CC(F)(F)F)CC1 470969624 VFVKNWJOFHHLAH-MRXNPFEDSA-N 447.526 5.102 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](c1cccc(C)c1)c1ccccn1 475167802 QRNDSKAPPNYUCP-RUZDIDTESA-N 427.548 5.086 30 20 IKED COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)C[C@@H](CC#N)c1ccccc1)CCO2 476111067 ONPOPGLEVFGFDC-ZEQKJWHPSA-N 440.543 5.635 30 20 IKED Cn1cc(CNCc2ccc(Br)cc2C(F)(F)F)c(-c2ccc(C#N)cc2)n1 478223034 DWVUXPLWQQAOSR-UHFFFAOYSA-N 449.274 5.030 30 20 IKED C=CCn1c(SCC(=O)N2CCc3sccc3[C@@H]2CC)nnc1-c1ccc(C)cc1 481339416 LVDGFYOMVPSCTF-IBGZPJMESA-N 438.622 5.129 30 20 IKED Cc1cc(C)c(-c2nnc(S[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)o2)c(C)c1 483293578 JCPCXFCGVUCCLC-KRWDZBQOSA-N 438.528 5.228 30 20 IKED N#CC[C@H](CC(=O)Nc1ccccc1Oc1ncc(Cl)cc1Cl)c1ccccc1 483307291 NDFZSBDEJHKMGN-MRXNPFEDSA-N 426.303 6.207 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NCc1ccc(C#N)c(F)c1 483685219 NOZMYWKKHUDVAT-GFCCVEGCSA-N 430.346 5.743 30 20 IKED CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)N[C@@H](c1cc(F)ccc1F)C(F)F 483770498 CQRVBFHLMOUQBT-INIZCTEOSA-N 438.343 5.054 30 20 IKED C=CCN(C(=O)c1cc(F)c(Cl)cc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 484747021 KLGOYQMLTWYGLP-UHFFFAOYSA-N 435.839 5.483 30 20 IKED N#CCCC[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1Br)c1ccccc1 487385043 CGQTYIFLGKBIBK-QGZVFWFLSA-N 425.248 5.633 30 20 IKED N#CCCC[C@@H](NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1)c1ccccc1 487537963 OIMWOCTVVFZINB-JOCHJYFZSA-N 442.544 5.533 30 20 IKED Cc1cc(N2CCCCCC2)ccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 489417032 BQLDNNUUUXFVBI-UHFFFAOYSA-N 432.568 5.322 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(C)=O)cc2)nnc1-c1cccc(Cl)c1 489661401 ZBASKAZRUCSTOZ-CQSZACIVSA-N 440.956 5.106 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3nc4ccccc4s3)o2)cc1 489798027 PDYFIUXCHJSWMB-ZDUSSCGKSA-N 438.534 5.030 30 20 IKED CC1CCN(C[C@H]2CCCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)C2)CC1 491493162 ZXHSRQHCMVWVMM-JOCHJYFZSA-N 432.568 5.326 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccc(F)cc3)C3CCOCC3)cc2)c1 494752093 JDKKHHHDFQTGJC-UHFFFAOYSA-N 445.494 5.703 30 20 IKED COc1ccccc1N1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 495110687 ULPAZSVAEBGPBN-UHFFFAOYSA-N 442.519 5.150 30 20 IKED C[C@@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccc(NC(=O)Nc2ccccc2)cc1 497810118 YUQIDHJERPFNSZ-GOSISDBHSA-N 442.519 5.237 30 20 IKED N#Cc1ccc(-n2nccc2NC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)cc1 498013609 GSCGGMXOSYFBBU-UHFFFAOYSA-N 436.443 5.326 30 20 IKED CN(CC1CCOCC1)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 503475522 ZQQVKPRQVVIIII-UHFFFAOYSA-N 433.430 5.260 30 20 IKED N#C[C@@H](NC(=O)c1occc1CSc1ccccc1)c1cccc(Br)c1 506525603 JKSMGUZEBKAGMY-GOSISDBHSA-N 427.323 5.329 30 20 IKED CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)N1CCC(C)(C#N)CC1 506736521 JBGVBZKMDCOFOX-UHFFFAOYSA-N 431.945 5.403 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(CN(Cc2ccc(C#N)cc2)C(C)C)cs1 507172576 FPIQTXHHNFXINK-UHFFFAOYSA-N 438.984 5.763 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(CCC(F)(F)F)cc1 507579506 UYHFSECKOLGZHP-UHFFFAOYSA-N 425.410 5.801 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc(C(F)(F)F)cs1 507616028 MJXSPNDCNNKYGV-LLVKDONJSA-N 431.530 5.428 30 20 IKED C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(OC2CCC(C)CC2)CC1 508490525 QNPLRDIMBYJTCL-IOJLRTSASA-N 442.579 5.307 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@@H](c2nccs2)C1 508840835 NHWBAQBYXAOYGG-GHTZIAJQSA-N 445.592 5.598 30 20 IKED C=CCN(C(=O)CC1(C)CCCCC1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 509803851 OQDQSLLEAKLDHQ-UHFFFAOYSA-N 432.611 5.093 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)NCc3cccc(C(F)(F)F)c3)s2)cc1 510232567 WTAJYTWPWKIDNZ-UHFFFAOYSA-N 449.483 5.043 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 510537143 GUCOXLFAAAPAOH-INIZCTEOSA-N 431.458 5.402 30 20 IKED CC(C)(CCC#N)CNC(=O)C(=O)Nc1ccccc1-c1ccc(-c2ccccc2)cc1 510947299 QBMCLPAELSZQKK-UHFFFAOYSA-N 425.532 5.405 30 20 IKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1 511097078 UVWHZFYRGTXVEB-INIZCTEOSA-N 441.622 5.286 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@H]3c3ccccc3Cl)c2)c1 511457861 OIBMWGRIBNLMOA-QHCPKHFHSA-N 444.922 5.833 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 512210893 FDISBDPQSBJRMU-UHFFFAOYSA-N 436.364 5.642 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4ccc(C(F)(F)F)cn4)cc3)o2)c1 513198008 XLKBIXVGBBSWNX-LJQANCHMSA-N 448.404 5.616 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1csc(Cc2ccccc2)n1 515172678 YKUXYMHNVBNYGK-UHFFFAOYSA-N 440.528 5.283 30 20 IKED N#C[C@H](C(=O)c1ccccc1SCc1cscn1)c1nc2ccccc2n1C(F)F 515539119 DYQVIORKDJMXFB-OAHLLOKOSA-N 440.500 5.670 30 20 IKED N#CCCCOc1cccc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1 515615417 UBMCHCSQPHQUBM-UHFFFAOYSA-N 448.906 5.271 30 20 IKED C=CCN(CC1CCCCC1)C(=O)Nc1nnn(Cc2ccc(C(F)(F)F)cc2)c1C 516162861 VOMLNLVQEHOURC-UHFFFAOYSA-N 435.494 5.254 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccc(C)cc4)n3)n2)cc1 516714266 YNXAJHSNGCECEM-GOSISDBHSA-N 431.542 5.741 30 20 IKED Cc1cccc(COc2cccc(CC(=O)Nc3ccccc3S[C@H](C)CC#N)c2)c1 517518606 NROGMOUVHLWSHU-HXUWFJFHSA-N 430.573 6.150 30 20 IKED N#CCCCOc1cccc(NC(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)c1 517981040 NTBGDUQBGPDKIR-UHFFFAOYSA-N 434.923 5.783 30 20 IKED COc1ccc(SCCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 518668470 FGUXGYGFSQZRHX-UHFFFAOYSA-N 440.512 5.841 30 20 IKED Cc1nc(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)c2c(C)c(C)sc2n1 520813703 QDRKFYITYIEIPK-GFCCVEGCSA-N 442.635 5.742 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1 521685310 UUMZCOGCUDMPEP-NHCUHLMSSA-N 426.358 5.044 30 20 IKED CCC(=O)c1ccc(OCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 524389348 AHYPUMNDIQBYEA-UHFFFAOYSA-N 428.488 5.056 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3C[C@H]3c3ccccc3OC(F)(F)F)s2)cc1 524914581 STIOESGKGCNCBR-ZWKOTPCHSA-N 443.450 5.246 30 20 IKED CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1 525032834 IXRDPUVEIJANAS-UHFFFAOYSA-N 447.922 5.637 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CCSc1ccc2c(c1)OCCCO2 525456566 VWWVPKGVIBASRW-MRXNPFEDSA-N 428.579 5.221 30 20 IKED CS(=O)(=O)Cc1ccc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F 532934350 GMSZVCJVONHFLB-UHFFFAOYSA-N 429.357 5.020 30 20 IKED COCCOc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)nc2ccccc12 533956772 ORRRDERTEOKTNX-IBGZPJMESA-N 443.528 5.182 30 20 IKED CN1CCC([C@@H]2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2)CC1 535217174 UAYJUOUZHFNXSY-NFBKMPQASA-N 436.987 5.191 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(OCc2cccc(OC)c2)c1C 535222135 UHSKAZKWVFKPHE-UHFFFAOYSA-N 441.531 5.674 30 20 IKED C=CCN(Cc1csc(N(C(C)=O)c2ccccc2OC)n1)Cc1ccccc1F 535980848 OUVCHRMEVAPQPZ-UHFFFAOYSA-N 425.529 5.164 30 20 IKED CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 536396698 ZJQGEHSTXFUWRB-PMERELPUSA-N 438.936 5.014 30 20 IKED COc1ccc(-c2nnc(SCCCC3(C#N)CCOCC3)n2C2CCCCC2)cc1 539669817 PWWYTMSSQSHHES-UHFFFAOYSA-N 440.613 5.652 30 20 IKED N#Cc1ccc(SCc2nnc(-c3c(Cl)cccc3Cl)o2)cc1C(F)(F)F 541076289 ZWDHQCBASPSDAZ-UHFFFAOYSA-N 430.238 6.226 30 20 IKED Cc1cc(C)cc(OCc2noc(CN[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)n2)c1 541087198 YUYUJHDEAKWCIE-FQEVSTJZSA-N 438.531 5.655 30 20 IKED C[C@H](N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)Nc1ccccc1C(F)(F)F 542014731 XOMWZACWUBKXTQ-IRXDYDNUSA-N 437.465 5.922 30 20 IKED CC(=O)N1CCc2c(sc3nc(-c4ccc(C)cc4)c(C#N)c(-c4ccc(C)cc4)c23)C1 542514771 NAIFOKNDKHIHIW-UHFFFAOYSA-N 437.568 6.023 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 542901517 IAOZCPJFXKUOCX-MRXNPFEDSA-N 436.327 5.469 30 20 IKED C[C@H]1N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CCC12CCOCC2 543564939 VNAPPTPQHYLXKE-MRXNPFEDSA-N 425.916 5.427 30 20 IKED CCOCCCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(CC#N)CC1 549765265 FTRUPCVCIQRWSK-FQEVSTJZSA-N 447.583 5.128 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H](C)[C@H]1OCCc2sccc21 550961632 CSKMIYIARKAOED-BXKMTCNYSA-N 434.536 5.551 30 20 IKED C=C(C)Cn1c(C2CCCC2)nnc1N1CCC(N(CCC)C(=O)c2cccs2)CC1 559009337 OCZONNDQLKNZHR-UHFFFAOYSA-N 441.645 5.095 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1)[C@@H]1C[C@@H]1C 563742924 IPZIBCJLMMAHRZ-UPCLLVRISA-N 443.478 5.503 30 20 IKED N#Cc1cc(Br)ccc1CSc1nnc(COc2ccc(Cl)cc2)o1 572389877 MMUXNFLODKINRR-UHFFFAOYSA-N 436.718 5.228 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3ccccc3SCc3ccco3)CC2)c(F)c1 588023497 LMQUZLQDVUWQDK-UHFFFAOYSA-N 436.508 5.266 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)COCc1nc2ccccc2s1 603533050 OJBLAOJZBGWQAJ-UHFFFAOYSA-N 445.519 5.366 30 20 IKED CCN(C(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N)[C@@H](C)c1ccc(F)cc1 603905318 OPPOXVONGNUTCG-ZDUSSCGKSA-N 425.451 5.121 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)o1 603946994 YAMKYPICITVMNA-UHFFFAOYSA-N 446.444 5.014 30 20 IKED Cc1cc(N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2cc(OC(F)F)ccc2n1 607144014 WVCSZBSOVFSPAB-PHIMTYICSA-N 428.323 5.712 30 20 IKED CCCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609056770 GFTQOBXWEOXGBW-CTNGQTDRSA-N 441.984 5.026 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C 609060374 BJWVORZLUQJPKF-SANMLTNESA-N 439.515 5.359 30 20 IKED C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609377638 BTDGHOWJBWIDMF-NSHDSACASA-N 430.398 5.395 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 609663804 JXLOHQOEBIUSPP-UHFFFAOYSA-N 448.841 5.123 30 20 IKED COc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c(OC)c1OC 609724076 FWZHICBPONVXSW-UHFFFAOYSA-N 438.867 5.282 30 20 IKED Cc1nnc(NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)c(C#N)c1C 609797601 GGWNWANIUCRPQL-UHFFFAOYSA-N 427.823 5.070 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCS[C@@H](c3ccccc3)C2)cc1Cl 609807222 HTDFULRSRPXMMF-ISKFKSNPSA-N 447.991 6.317 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 610045826 UBWLBAMTSOIHDP-SSEXGKCCSA-N 439.499 5.570 30 20 IKED Cc1ccc(C#N)cc1NC(=O)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1 612566776 RDBPEKCBRGBRQY-INIZCTEOSA-N 426.236 5.444 30 20 IKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)nnc1C1CC1 613906516 MGMLXXWEDVSSFY-KRWDZBQOSA-N 437.396 5.104 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3sc4cc(F)ccc4c3Cl)ccc21 615816492 RPASSRGKHXTXLZ-UHFFFAOYSA-N 441.915 5.529 30 20 IKED O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618450059 KVSZPELGTCKVBR-RVKKMQEKSA-N 448.382 5.568 30 20 IKED C=CCn1c(S[C@H](C(=O)N2CCC[C@@H](C)C2)C(C)C)nnc1-c1ccc(Cl)cc1 639428404 VHZFPHYBDFYDQA-APWZRJJASA-N 433.021 5.160 30 20 IKED CC(C)(C)Oc1c(F)cc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F 679886433 ZUXQPKTZNMPWMU-AOOOYVTPSA-N 448.354 5.737 30 20 IKED O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 683055153 HPAAJKBWDGXPLZ-JBLDHEPKSA-N 440.281 5.201 30 20 IKED Cc1cc(C)c(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccccc2)cc1C 726571417 HZKNJVALUFGNLS-UHFFFAOYSA-O 434.972 5.748 30 20 IKED C[C@H](c1ccc(Cl)cc1Cl)N1C(=O)/C(=C/c2cccc(OCC#N)c2)SC1=S 726626572 DDZYHPVHCOZJQF-HIPMGEKLSA-N 449.384 5.858 30 20 IKED C[C@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1nc2ccccc2n1C(F)F 727985710 HXGUAHREJBPZDL-AWEZNQCLSA-N 437.402 5.393 30 20 IKED C#Cc1cccc(N(C)C(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)c1 728482537 WVRYFZJGUZILSU-UHFFFAOYSA-N 428.561 5.615 30 20 IKED Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc12 730996172 WAYOBWSUFSLKBX-MRXNPFEDSA-N 427.533 5.233 30 20 IKED N#CCn1c(C(=O)O[C@H](c2ccc(Br)cc2)C(F)(F)F)cc2ccccc21 731147267 PBYVSKMAXZAUGV-QGZVFWFLSA-N 437.215 5.388 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1 731970866 HPNJKXPVEMKPMA-UHFFFAOYSA-N 448.454 5.484 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(C)Cc2c(Cl)cccc2Cl)ccc1OC 733653944 NDDBUTHSSIQVKW-OAHLLOKOSA-N 436.339 5.025 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 733805375 BFMYIAMBGLRLCE-LADGPHEKSA-N 433.939 5.610 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(COc3ccc(C)nc3)c2)cc1 734080030 HUFYMVPXAZQZAC-AVRWGWEMSA-N 441.531 5.444 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Oc2cccc(NC(=O)c3ccco3)c2)c1 734327908 YLLLTVRFEXNXFV-UHFFFAOYSA-N 438.439 5.202 30 20 IKED C=CC[C@H](NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccncc1 734359757 AQRHJYLJAVQMBE-GOTSBHOMSA-N 433.939 5.030 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)c1 735575459 PVZHPLXHKBHXEI-QGZVFWFLSA-N 442.491 5.175 30 20 IKED COc1ccc(SCCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC 740779349 PKWUXQQBILSWJU-QFIPXVFZSA-N 432.545 5.480 30 20 IKED COc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1Br 741447948 RGDMIYDJTKTLAI-WUXMJOGZSA-N 449.366 5.070 30 20 IKED COCCOc1cc2c(cc1/C=C/C(=O)c1ccc(-c3ccccc3OC)cc1)OCO2 741467804 ADHNWNLQIKJGGG-VAWYXSNFSA-N 432.472 5.012 30 20 IKED O=C(/C=C/c1cccc(OCc2ccccc2)c1)c1ccc(S(=O)(=O)CC(F)F)cc1 741851972 HDFXTNBTIWJQPE-NTEUORMPSA-N 442.483 5.201 30 20 IKED C#CCN(CC#CC)C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 742004120 WIPRBAUVEBZPGY-UHFFFAOYSA-N 449.626 5.054 30 20 IKED CSc1cccc([C@@H](NCc2ccc(N(C)CCC#N)cc2)c2ccc(F)c(F)c2)c1 742384437 BWDUGEHJZJGCHZ-RUZDIDTESA-N 437.559 5.916 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 742549756 ANWFBVZXXWSQFP-QFIPXVFZSA-N 449.551 5.060 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2C[C@H](C)C[C@@H]2c2ccccc2F)c1=S 743374138 OXLHXAYPJRIPJK-DYESRHJHSA-N 438.572 5.455 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cnc(-c2ccccc2Cl)s1 748003524 AKSXLDXCAPWTCI-QGZVFWFLSA-N 437.952 5.549 30 20 IKED Cc1nn(Cc2ccccc2)c(C)c1C=NOCC(=O)Nc1ccccc1-c1ccccc1 748100123 FUOPEEWPTKRLSM-UHFFFAOYSA-N 438.531 5.204 30 20 IKED N#CCCN(Cc1cccnc1)C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 748725167 ZAVMYKBJJKBTCJ-SNAWJCMRSA-N 427.348 5.075 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H](C)Cc1ccccc1Cl 754300841 RECWAJKCGGTQGW-HZPDHXFCSA-N 430.957 5.095 30 20 IKED COc1ccc(C(C)(C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC 757874286 HXOVOLDORMNCDJ-AWEZNQCLSA-N 448.466 5.486 30 20 IKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C2CC(F)(F)C2)c1 757898551 PLMZNAXDWRFQBE-LJQANCHMSA-N 443.519 5.007 30 20 IKED COc1cccc(CN(C(=O)Cc2cccc(OCC#N)c2)C23CC4CC(CC(C4)C2)C3)c1 760530760 MUHMJLPCPDVQBC-UHFFFAOYSA-N 444.575 5.138 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)c3ccc(-c4ccc(OC(F)F)cc4)s3)CCO2)c1 762293977 BLTBYJHWZSAANC-LJQANCHMSA-N 440.471 5.102 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\C(=O)c3cccc4c3[C@@H]2CCC4)cs1 763291355 XAVDBNOPOZYECH-GFIJVFARSA-N 434.948 6.181 30 20 IKED Cc1ccc(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)cc1NC(=O)Nc1ccccc1 764301336 HZGISQOVDCZPLW-UHFFFAOYSA-N 449.854 5.325 30 20 IKED Cc1c(C(=O)N2CCC(O)(c3ccccc3C(F)(F)F)CC2)ccc(C(F)(F)F)c1F 765073734 HXCCFCJPQUMQLO-UHFFFAOYSA-N 449.366 5.296 30 20 IKED CCc1nc2ccccc2n1N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 767372548 GNWJXUYJFPSGBQ-UHFFFAOYSA-N 439.269 5.412 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 767881706 FSPMHWCGJSRZIM-SJLPKXTDSA-N 447.526 5.385 30 20 IKED C=CC[C@@H](NC(=O)N1CCC(C)(c2cccc(Br)c2)CC1)c1ccncc1 768947800 CRWQRGPPMFACRZ-HXUWFJFHSA-N 428.374 5.225 30 20 IKED C[C@H](OCc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 769296761 XTPPMIKQIGMDGS-GUYCJALGSA-N 431.344 5.898 30 20 IKED CCOc1cc(/C=C2/CCc3nc(O)ccc3C2=O)ccc1OCCOc1ccc(C)cc1 769614746 MJHNYQBAYUEQJC-SILNSSARSA-N 445.515 5.165 30 20 IKED CCOc1ccc(NC(=O)c2ccc(NCc3ccc(N(C)CCC#N)cc3)cc2)cc1 775179612 BUNDSZGRCHJPBN-UHFFFAOYSA-N 428.536 5.300 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(CC(C)C)cc1)[n+]1c(C)ccc(O)c1Cl 777513306 SKRVUPYHZMHHCJ-UHFFFAOYSA-O 432.009 5.217 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 779021550 UIKLUDHVEWGKBV-AVCGJXAMSA-N 448.567 5.109 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12 780158782 HUKFOQBLDVWWQT-INIZCTEOSA-N 445.469 5.975 30 20 IKED COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2O[C@@H](C)C#N)c1 780160551 RUFSXOFRZCGPRF-SFHVURJKSA-N 438.487 5.091 30 20 IKED N#C[C@H](C(=O)Cc1cccc(OC(F)(F)F)c1)c1nc(-c2c(F)cccc2F)cs1 784502413 SNQVQLLEJZUXFV-CYBMUJFWSA-N 438.377 5.406 30 20 IKED C=CCc1cc(CNCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)cc(OC)c1OC 785456473 VBLUXLAUHCMVOS-UHFFFAOYSA-N 431.458 5.131 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)NCc2ccc(F)c(F)c2)sc1-c1cccc(Cl)c1 786569552 LCEHYXHBZYDQTA-MRXNPFEDSA-N 444.890 5.294 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(O[C@H](C)c3ccccc3)cc2)cc1Cl 788351538 MUSMMKLAWZSJCX-IIBYNOLFSA-N 448.906 5.450 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2cnc(-c3ccc(Cl)cc3)s2)S1 789131137 USDRDIFXJGZVCJ-LICLKQGHSA-N 425.966 5.972 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Oc3ccc(NC(=O)C4CCCCC4)cc3)CC2)c(F)c1 796359451 WXVHHXIVBWVKHQ-UHFFFAOYSA-N 449.526 5.038 30 20 IKED Cc1cc([C@@H]2CCCN2C(=O)Nc2ccccc2O[C@H](C)C#N)ccc1Br 797643092 SQSYAADIBVJAPS-BEFAXECRSA-N 428.330 5.417 30 20 IKED CSc1ccccc1[C@H](C)OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 800008937 IZVJQADCBFCNSP-HNNXBMFYSA-N 437.521 5.049 30 20 IKED C=CC[C@H](NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccncc1 806818742 FYKPPYBRZAZTNM-LEWJYISDSA-N 433.474 5.185 30 20 IKED N#Cc1ccc(F)c(CSC2=N/C(=C\c3ccccc3)C(=O)N2c2ccc(F)cc2)c1 808783745 TWRBAIOJADGYQH-XKZIYDEJSA-N 431.467 5.514 30 20 IKED CSc1ccc(C(=O)c2ccccc2C(=O)OC[C@H]2CC[C@@H](C#N)CC2)cc1[N+](=O)[O-] 809092013 UMKWCLMNEUWKEL-IYBDPMFKSA-N 438.505 5.034 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(Br)cc2)cc(OC)c1OCC(F)F 809152497 UPLQTNIXLKUIDJ-BAQGIRSFSA-N 427.241 5.006 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CCCCC#N)c1nc(-c2cccc(Br)c2)no1 904293529 DWIKXGVRXKZTJQ-HNNXBMFYSA-N 435.322 5.149 30 20 IKED CCCCCCCCc1nnc(NC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)s1 915311586 NOUKYDIKCHSZCW-NRFANRHFSA-N 430.618 5.419 30 20 IKED Cn1c([C@H](C#N)C(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)nc2ccccc21 916843462 IGNWKBIZTWSNHJ-YKSBVNFPSA-N 445.975 5.926 30 20 IKED N#C[C@@H](C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1cccc2ccccc12 916915967 LYOCFISEGSHVJO-YFWYWMRJSA-N 442.824 5.873 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(F)cc3)cc2)cc1Cl 916938842 NYMSWECIJYYQQS-IBGZPJMESA-N 438.842 5.241 30 20 IKED COCc1c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)sc2cccc(F)c12 917047228 UJIIDUUNMZKCSQ-LLVKDONJSA-N 430.913 5.940 30 20 IKED C#CCNC(=O)c1ccccc1NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl 921163426 QFAAGHBHEUMJMR-UHFFFAOYSA-N 436.842 5.189 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4c(F)cccc34)CCC2)cc1 1789454434 YNCQNJQQJYKMHB-IBGZPJMESA-N 446.526 5.218 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C(Cl)(Cl)Cl)CCC2)cc1 1789457821 AVXLYYHBMWFYKX-INIZCTEOSA-N 429.775 5.259 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C[C@@H](C)c2ccccc2)[C@H]1c1cccnc1 1802501476 OBIYKNOOJOYSEJ-DSBYRVASSA-N 447.623 5.274 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(F)c2)CC1 1824143956 XAQKMWFNWXMBDP-XMMPIXPASA-N 426.576 5.136 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1 1824871147 OMODWTRYXJYZHW-LJQANCHMSA-N 430.555 5.331 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CSc2ccccc2)CC1 1828822588 JZINLOCILZEBKG-RPWUZVMVSA-N 440.653 5.167 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(F)cc2)CC1 1828831676 XILFYZCNRRUSDC-RPBOFIJWSA-N 440.603 5.146 30 20 IKED CC[C@H](C)[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C#N)CCC2)CC1)c1ccccc1 1832784151 VPBJGJRPIVUQFC-GPUOULLFSA-N 449.639 5.130 30 20 IKED N#Cc1ccc(F)c(CSC2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(F)cc2)c1 11384399 TWRBAIOJADGYQH-LPYMAVHISA-N 431.467 5.514 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\S/C(=N\C3CCCC3)NC2=O)cc1 20987496 BFUJBYJIHZFFCZ-JCMHNJIXSA-N 428.561 5.350 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1C1CC1 21243313 GRSXWDBIZDIBFX-VIFPVBQESA-N 431.776 5.421 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1nnc(SCc2ccccc2)s1 21956306 FJUWYOYKDWZXHD-UHFFFAOYSA-N 428.542 5.621 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1c(C)cc(C)c(C(C)=O)c1C 25435474 ZJTAAYIORCYFSP-UHFFFAOYSA-N 439.556 5.602 30 20 IKED Cc1c(C#N)c(S[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)nc2c1CCC2 29590436 OTZHCYJNMHSJQZ-LBPRGKRZSA-N 434.546 5.162 30 20 IKED COc1ccc([C@H](CNC(=O)N[C@H](C)c2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1 60997282 DXIFHYOMTGIZRW-KOSHJBKYSA-N 438.531 5.240 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1NC(=O)c1ccco1 71951672 PHFVZOMVPBTKSE-HNNXBMFYSA-N 435.892 5.594 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C 108903185 PDORZEWYKBDUJZ-UHFFFAOYSA-N 439.519 5.510 30 20 IKED C[C@H](CCC(=O)Nc1ccc(C(C)(C)C#N)cc1)CC(=O)Nc1ccc(C(C)(C)C#N)cc1 195611039 YWXUSDIXASDHJH-LJQANCHMSA-N 444.579 5.673 30 20 IKED O=C1/C(=C\c2csc(-c3ccccn3)n2)CC/C1=C/c1csc(-c2ccccn2)n1 206944304 IWCAHJHLHDYKHW-NFLUSIDLSA-N 428.542 5.554 30 20 IKED Cc1ccc(OC2CCN(CC(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)cc1C 303355491 GBEXPEQYQDCKNW-GOSISDBHSA-N 437.609 5.037 30 20 IKED CCN(C(=O)c1sc(-c2ccc(OC)cc2F)nc1C)c1ccc(C#N)c(Cl)c1 409992120 KTWRHAFMYOVBKH-UHFFFAOYSA-N 429.904 5.458 30 20 IKED C=CCCc1ccccc1NC(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 410348139 VGIHDLJWOYCHJQ-UHFFFAOYSA-N 441.325 5.695 30 20 IKED COc1cc(CN2CCC(c3ncc(C)s3)CC2)ccc1OCc1cccc(C#N)c1 433175462 OHUZNBYOBOLNTR-UHFFFAOYSA-N 433.577 5.290 30 20 IKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c12 436335059 GOXCCPAYXUYPRV-FPOVZHCZSA-N 440.503 5.518 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)cc1F 438667256 KCYLJTSCFPTXEM-BJKOFHAPSA-N 431.467 5.531 30 20 IKED C[C@@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 439603566 MBQILGVPNRGWFL-GOSISDBHSA-N 428.467 5.237 30 20 IKED CCCc1c(NC(=O)N2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)cnn1-c1cccc(C#N)c1 439676379 WLRJJVKTRXHZMK-AVRWGWEMSA-N 443.551 5.320 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)c1nc2ccccc2n1C(F)F 444669477 DBZHSIIITCNNEE-GJZGRUSLSA-N 443.523 5.115 30 20 IKED Cc1nc(N2CCC[C@H]2c2nc(-c3ccccc3Br)no2)c(Cl)cc1C#N 461931979 AEWROKKHDVWZOA-INIZCTEOSA-N 444.720 5.069 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H]2CCN(c3ccccc3F)C2)cc1 462636819 GKTDBVLIQBWCMB-OAQYLSRUSA-N 445.563 5.246 30 20 IKED CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 465296139 RHFVRTGAPNAPKI-UHFFFAOYSA-N 427.504 5.438 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nc(C(C)(C)C)no1 466446686 RMZQGHIJWQGATG-KDOFPFPSSA-N 437.931 5.559 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1C 467280141 VQTBINCMYGSCFG-UHFFFAOYSA-N 439.968 6.182 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccccc2O[C@@H]2CCOC2)cc1 470253610 DHKRGUDXVAWHBP-HSZRJFAPSA-N 445.494 5.099 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 471253636 DSSSKFSZCGQFAA-UHFFFAOYSA-N 425.532 5.942 30 20 IKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cc2cccc(F)c2o1 473871239 BRNBNGIEPLXIER-QGZVFWFLSA-N 443.478 6.100 30 20 IKED COc1cc(CN(C)C(=O)C[C@H](CC#N)c2ccccc2)ccc1OCc1ccccc1 474286263 CREWYBIIZFSIPJ-DEOSSOPVSA-N 428.532 5.320 30 20 IKED COc1cc(C#N)cc(Br)c1OCc1cccc(C(=O)Nc2ccccc2)c1 479926142 GAEOCJGLRWUNFI-UHFFFAOYSA-N 437.293 5.161 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCc4c(ncn4-c4ccccc4)C3)cc2)c1 480591912 XXQJHZLBWSLNOV-UHFFFAOYSA-N 435.487 5.126 30 20 IKED CCc1ccc(N(C(=O)CSc2ccc(C#N)cc2)c2nc3ccccc3s2)cc1 482154577 QUXARCVKMPOYCE-UHFFFAOYSA-N 429.570 6.187 30 20 IKED C=CCOc1ccc(C(=O)Nc2cc(OC)c(Br)cc2Br)cc1 486128355 NKSMYAKLLNQBAC-UHFFFAOYSA-N 441.119 5.037 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Br)c2)nnc1-c1cccs1 489412833 XLRRLCAASFXREO-LBPRGKRZSA-N 449.399 5.074 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](C#N)c2cccc(Br)c2)c1 496246896 VJKHSZPCJKRZFY-GOSISDBHSA-N 448.748 5.082 30 20 IKED N#C[C@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1cccc(Br)c1 496309483 ZWGIVRQSYALCJW-FQEVSTJZSA-N 449.308 5.088 30 20 IKED C=CCN(CCc1ccco1)C(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 497382141 CSJTYPIXXNSBGO-GOSISDBHSA-N 435.499 5.172 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cccc(OC)c1OC(F)F 501782824 WQXOKCIAAYMXOI-UHFFFAOYSA-N 444.247 5.027 30 20 IKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1 505810165 XEBQULGGNHVYHL-GOSISDBHSA-N 444.432 5.322 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)cc1 511025411 DNNBYUXQBQOYBP-VWLOTQADSA-N 447.579 5.659 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2coc(-c3cccs3)n2)cc1 511392315 VBFQBTXKMNXIPO-UHFFFAOYSA-N 444.516 5.370 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 512868297 AHIHSSGTTBWLMN-UHFFFAOYSA-N 428.517 5.149 30 20 IKED CN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(COc2ccccc2C#N)c1 513135495 KXEAMJYSVMCJRT-UHFFFAOYSA-N 425.532 5.010 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)c1 513233971 QIKMXIBFOJJSRB-UHFFFAOYSA-N 437.455 5.235 30 20 IKED Cc1nc2c(cc1C(=O)Nc1ccc(Oc3ccc(C#N)cc3)c(Cl)c1)c(C)nn2C 516006623 YHRYTBHWRFJAAR-UHFFFAOYSA-N 431.883 5.155 30 20 IKED CCCN(CC1CCCCC1)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 516483348 PHLUKXHHDJFYGF-UHFFFAOYSA-N 447.579 5.089 30 20 IKED N#C[C@@H](C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1nc(-c2c(F)cccc2F)cs1 518872709 YXQJLPXTLOMRRE-IRXDYDNUSA-N 440.471 5.136 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(COc2ccccc2)cc1 520197289 BWESLINFCAXDIG-LJQANCHMSA-N 431.561 5.982 30 20 IKED COCCN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@@H](C)c1ccccc1 521209025 NMSHCVKITMBPDO-NRFANRHFSA-N 443.547 5.573 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 523780787 IWKKTWAQLYJJLJ-YTTGMZPUSA-N 445.588 5.556 30 20 IKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)Nc1cc(C#N)ccc1OC(F)F 524113909 IQJGFQLSMYONCY-UHFFFAOYSA-N 443.453 5.865 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](CCCO)c3ccccc3)cc2Cl)cc1 524902727 RDBVXNYYKNUKQC-JOCHJYFZSA-N 435.911 5.639 30 20 IKED N#Cc1c(NC(=O)CCSc2ccc3c(c2)OCCCO3)sc2c1CCCCC2 524913893 FWIUSQZBCURXTC-UHFFFAOYSA-N 428.579 5.171 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](CC(C)(C)C)c3ccc(Cl)cc3)CC2)o1 526999252 QYOXJJFGDUCCGF-LJQANCHMSA-N 428.964 5.018 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)Cc3coc4ccc5ccccc5c34)ccc21 527308732 DPEIJWBVCBSOGS-UHFFFAOYSA-N 437.499 5.350 30 20 IKED COc1ccc(Cc2nc(C)c([C@@H](C)N[C@H](CCC#N)c3ccccc3)s2)cc1OC 536837779 HQXXFQOLAUPJTP-DYESRHJHSA-N 435.593 5.755 30 20 IKED N#CC1(c2ccc(C(=O)Nc3ccc(=O)n(Cc4ccc(Cl)c(Cl)c4)c3)cc2)CC1 538530623 COYQKXWJAYTIOZ-UHFFFAOYSA-N 438.314 5.011 30 20 IKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccc(C3(C#N)CC3)cc1)CC2 540692933 WVROMNWIWSJZHD-DEOSSOPVSA-N 444.556 5.108 30 20 IKED C=CCC[C@@H](NCc1nc(O)c2c3c(sc2n1)CCC3)c1ccc(C(F)(F)F)cc1 553385968 KBKHYYXXGKPNAI-MRXNPFEDSA-N 433.499 5.702 30 20 IKED Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2sc3ccc(C#N)cc3c2C)n1 556557287 FSIYYKYTBCUZNQ-UHFFFAOYSA-N 426.545 5.331 30 20 IKED Cc1cnc(C2CCN(c3nnc(-c4cccc(C#N)c4)n3Cc3ccccc3)CC2)s1 570818618 DRJPJOORKSBYTI-UHFFFAOYSA-N 440.576 5.014 30 20 IKED N#Cc1cc(Br)ccc1CSc1nnc(-c2ccco2)n1Cc1ccco1 572431838 DWLCVDKOTXWOHP-UHFFFAOYSA-N 441.310 5.106 30 20 IKED CCCN(CC)Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 575081719 FGGPGONXZIHYDR-JOCHJYFZSA-N 428.561 5.404 30 20 IKED C=C[C@](C)(CCOC)c1nc(-c2ccccc2-c2ccc(CN3CCCC3=O)cc2)no1 577539013 IVPXIENLGRFXHM-AREMUKBSSA-N 431.536 5.006 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1 578690700 FXBOKNXLAWYCFT-UHFFFAOYSA-N 440.543 5.443 30 20 IKED CCc1ccc([C@@H](C#N)NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)cc1 578798318 WOXFUHZZIXKCLM-GOSISDBHSA-N 432.833 5.102 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2ccc(Br)cc2-c2nc(C3CC3)no2)c1 579758064 VABBSXYNFAVDJU-UHFFFAOYSA-N 443.688 5.154 30 20 IKED N#CCCn1ncc(C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)c1-c1ccccc1 580653905 XDEWIMGNOPLVIF-UHFFFAOYSA-N 447.951 5.171 30 20 IKED C=CCSc1ccccc1C(=O)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 581210598 RBPXZGDFRKAZMJ-UHFFFAOYSA-N 428.557 5.349 30 20 IKED C[C@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)Nc1ccc(Cl)cc1Cl 584872500 IATSRFONKJVGPJ-ZDUSSCGKSA-N 427.291 5.491 30 20 IKED O=C(N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1(c2cccc(C(F)(F)F)c2)CC1 589320957 SPWURHRXDOCVSR-STQMWFEESA-N 433.314 5.326 30 20 IKED N#Cc1cc(Oc2ccc(NCc3nnc(-c4ccc(Cl)cc4Cl)o3)cc2)ccn1 589566262 VUYRQNZLVIOYKW-UHFFFAOYSA-N 438.274 5.714 30 20 IKED C=C(C)COc1cccc(NC(=O)N(CCC)Cc2nc(O)c3ccc(Cl)cc3n2)c1 589740480 VKLYVSKWZNTDIJ-UHFFFAOYSA-N 440.931 5.388 30 20 IKED Cc1c(NC(=O)[C@@H](C)Sc2nc3c(c(-c4ccco4)c2C#N)CCC3)cccc1[N+](=O)[O-] 598583497 KKECZSFPTAQCNQ-CQSZACIVSA-N 448.504 5.038 30 20 IKED Cc1sc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)c(C#N)c1C 603445489 OWGSVOBBXDSVTH-UHFFFAOYSA-N 439.537 5.359 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 603578015 BMODMNIGBSJKLO-IBGZPJMESA-N 443.576 5.002 30 20 IKED C=CCN(C(=O)c1ccc(-n2cc(C)cn2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603750716 AXVTZKQKFJXXSC-UHFFFAOYSA-N 445.504 5.045 30 20 IKED CN(Cc1ccc2c(c1)OCCO2)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603829130 ZKYTVUDGPQGTGY-NRFANRHFSA-N 447.922 5.431 30 20 IKED N#C[C@]1(NC(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)CCSC1 603883024 FWJNUDIJYBEYKJ-OAQYLSRUSA-N 428.966 5.508 30 20 IKED CC(C)c1ccc(OC2CCN(C(=O)c3ccc(COc4ccccc4C#N)o3)CC2)cc1 603927014 HJOOGHDQQUXVJH-UHFFFAOYSA-N 444.531 5.537 30 20 IKED Cc1cccc(-n2ncc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c2C)c1 604003637 PRFLVVLTHFWJHZ-UHFFFAOYSA-N 436.515 5.387 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nc5ccccc5s4)o3)cn2)cc1 604241952 ZNNMJOYYTMBQDP-UHFFFAOYSA-N 438.468 5.868 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(CC(=O)NC4CCCC4)CC3)cc2)cc1 604460612 ISGXHSXYMQRMRT-UHFFFAOYSA-N 446.551 5.043 30 20 IKED CC(C)(C)[C@H](COc1ccccc1F)NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 605018449 LKOPWHVRRDOMIS-AWEZNQCLSA-N 444.391 5.146 30 20 IKED CCOc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1[N+](=O)[O-] 609061545 DQVFLQCWDXBROH-UHFFFAOYSA-N 431.448 5.005 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2F)c1 609105648 BWNJDFRLCGLFCL-UHFFFAOYSA-N 425.803 5.090 30 20 IKED CC1CCN(c2ccc(CNC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)cn2)CC1 609208906 KNDYFMFTUHKVCT-UHFFFAOYSA-N 441.535 5.304 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3nc4c(C(F)(F)F)cccc4s3)cc2)nc1 609497667 UOEWVUSNKJWFKV-UHFFFAOYSA-N 440.406 5.626 30 20 IKED C[C@@H](CC(=O)N[C@H](C#N)c1ccccc1Br)c1ccc(C(F)(F)F)cc1 609591352 RXZPJADHCOVTEB-YVEFUNNKSA-N 425.248 5.343 30 20 IKED Cc1noc(-c2ccc(C)c(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)c2)n1 609723561 FILHTQVKSZPFBF-UHFFFAOYSA-N 444.878 5.923 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N[C@@H](c3ccc(Cl)cc3)C3CC3)c2)cc1 609936932 SDFOOVWIRRLKIY-HSZRJFAPSA-N 445.906 5.210 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)c1C 610053768 NKECCGWUFDANET-RTBURBONSA-N 425.319 5.410 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2nc(C(F)(F)F)cs2)cc1 610146324 NXWYWZFDMDSZQN-UHFFFAOYSA-N 448.445 5.085 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCCO[C@@H](c3ccccc3)C2)cc1Cl 611183822 HOCHNSJJZLPDSQ-XMMPIXPASA-N 432.907 5.608 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)Cc3csc4nc(-c5ccccc5)cn34)c2C#N)C1 613257581 AMYGHSIXBRIKIE-CQSZACIVSA-N 432.574 5.302 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3oc4ccccc4c3COC(C)C)n2)cc1 613314357 LMZZVLKQRIAYMT-LJQANCHMSA-N 430.529 6.280 30 20 IKED N#C[C@@H](C(=O)c1cccc(OC(F)F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346670 NLUQMQWXUOQCQM-AWEZNQCLSA-N 439.270 6.208 30 20 IKED N#CCn1c(C(=O)N2CCCc3c(Br)ccc(Cl)c32)cc2ccccc21 614306614 OWVAGOSFMFGJIG-UHFFFAOYSA-N 428.717 5.174 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4o3)cc12 614439926 YWTXTSBUDUBELM-INIZCTEOSA-N 432.892 5.680 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2cccs2)c1 619854069 XWRCPALWOPGLGL-VWLOTQADSA-N 449.624 5.529 30 20 IKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1cc(Cl)ccc1F 644970905 PGDLOFIOILRSKL-UHFFFAOYSA-N 445.718 5.614 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2ccc(OCC(F)(F)F)cc2)c1C(F)F 676147976 PFLUPHGUORDBJW-UHFFFAOYSA-N 431.283 5.053 30 20 IKED Cc1cc(F)c(Br)cc1NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 682767293 MCSXILFCVGGLGQ-YUMQZZPRSA-N 437.153 5.101 30 20 IKED N#C[C@H](C(=O)c1cc2cc(Cl)sc2[nH]1)c1nc2cc(C(F)(F)F)ccc2s1 685783872 GJOVXAOOMYUBSR-SECBINFHSA-N 425.844 6.001 30 20 IKED CC(C)c1ccccc1-n1c(-c2cccnc2)nn(CN(CCC#N)CC2CC2)c1=S 728904421 BTRKJDDRNDJGPF-UHFFFAOYSA-N 432.597 5.172 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1 729113277 YMGWZOCHQARVPD-QHCPKHFHSA-N 437.455 5.346 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)OC(C)(C)C)C2)c1 729570135 KNHVTYCIBHQXMQ-SIKLNZKXSA-N 443.588 5.285 30 20 IKED C=CCNC(=S)/C(=C(/O)c1ccc(OCc2ccccc2)cc1)[n+]1ccccc1CC 730436005 JMBPIDYZMUKLAY-UHFFFAOYSA-O 431.581 5.102 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1 730473275 GRMRCBFFXRPELV-JOCHJYFZSA-N 430.935 5.682 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(OCc3ccccc3C)cc2)cs1)C1CC1 734304380 IBWXWPKGWIHNBV-NTEUORMPSA-N 432.545 5.442 30 20 IKED COc1ccc(-n2c(-c3ccc(Cl)cc3)nn(CN(CCC#N)C(C)C)c2=S)cc1 739845571 JPPYMNSUTRVTKU-UHFFFAOYSA-N 441.988 5.314 30 20 IKED COc1ccc(CNCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)cc1C#N 742371758 ARVUNXLVYAZOII-UHFFFAOYSA-N 441.846 5.350 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1 744036059 VEKVQLRCDYHHFH-NUEKZKHPSA-N 449.309 6.375 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(-c3ccc(OC)cc3)cc2)c1 745821501 RKONWHUQWWECPY-HSZRJFAPSA-N 429.520 5.043 30 20 IKED C=CC[C@@H](NC(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1ccncc1 745828987 XCBJPZAPQJYQQW-LJQANCHMSA-N 442.441 5.404 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 746166965 KMHKXLBVUHBDPN-PXNSSMCTSA-N 439.581 5.675 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2ccccc2)C(=O)N[C@H]1c1cc(C#N)cs1 747960514 KPNFPMVOPIMRJI-QFIPXVFZSA-N 431.492 5.026 30 20 IKED O=C(/C=C/c1c(Cl)nc(Cl)n1-c1ccccc1)c1ccc(N2CCOC2=O)cc1 748584985 YKMUFGWOUVZGLT-ZHACJKMWSA-N 428.275 5.032 30 20 IKED CCCN(C(=O)c1ccc(C#N)cc1C)c1cccc(NC(=O)c2ccc(C#N)cc2C)c1 749085773 RDYVIPPLIKNXHC-UHFFFAOYSA-N 436.515 5.356 30 20 IKED CN(C(=S)Nc1ccccc1C#N)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 749832402 JCPFMAMDMVMWSR-UHFFFAOYSA-N 426.372 6.283 30 20 IKED N#C[C@@H](C(=O)CCc1cc(Cl)ccc1Br)c1nc(-c2ccncc2)cs1 751150862 CFGIXXKJDSVMQF-HNNXBMFYSA-N 446.757 5.430 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NOc2ccccc2C(F)(F)F)cs1 754710110 QQVMKURNHUEEIV-UHFFFAOYSA-N 433.455 5.876 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cc1 756942467 MQXNPEHDQAMFOR-AVRDEDQJSA-N 449.551 5.034 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)CC1(Cc2nc3ccccc3s2)CCCCC1 760977070 AZQVOJAGMPCHHA-UHFFFAOYSA-N 437.540 5.860 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)CCO2)c1 762295783 MKFPYTNZZGGCSE-DEOSSOPVSA-N 443.890 5.089 30 20 IKED CC(C)(C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc([N+](=O)[O-])cc1F 763005275 SDXCUODYMYTLIV-LBPRGKRZSA-N 445.422 5.290 30 20 IKED C=CCn1c(-c2ccccc2C)nn(CN(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1=S 764943705 IIDOKFNFGVDLDW-UPVQGACJSA-N 448.636 5.633 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1=S 764992463 XWMSCGMBJKIMFN-JOCHJYFZSA-N 430.581 5.328 30 20 IKED Cc1csc(SCc2ccccc2C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)n1 768173773 DWNHCCKNXXAUMV-SFHVURJKSA-N 447.507 5.757 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(OCc3ccc(F)cc3)CC2)cc1 768867811 IJUPDXGVWPARBJ-AREMUKBSSA-N 443.522 5.694 30 20 IKED CC(C)Cn1ccc2c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cccc21 774049832 BVVCCENVGSQLTR-QGZVFWFLSA-N 428.319 5.565 30 20 IKED CCCCCCn1c(-c2c[nH]c3ccccc23)nn(CN2CCC(C)(C#N)CC2)c1=S 779878626 MNORREXOMPNBHL-UHFFFAOYSA-N 436.629 5.726 30 20 IKED C=CCOc1ccc(/C=C/C(=O)O[C@H](C)c2nnc(-c3ccccc3F)s2)cc1OC 781899562 USEVODGYUKPQQW-HBIYDYFMSA-N 440.496 5.235 30 20 IKED CC(C)(C#N)CCCOC(=O)c1sccc1NC(=O)Cc1ccc(Br)cc1 782939385 BVKOUONKYILODM-UHFFFAOYSA-N 449.370 5.179 30 20 IKED Cc1cc(Br)cc(NC(=O)c2sccc2C#N)c1NC(=O)OC(C)(C)C 784692338 SIYRPRVQCQITQL-UHFFFAOYSA-N 436.331 5.290 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=S)Nc3ccc(Cl)c(Cl)c3)ccc21 787196434 IQJRFJRLQZLHJC-UHFFFAOYSA-N 433.364 5.385 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 788353868 NOSNLHZAPWXMLW-NUEKZKHPSA-N 440.471 5.085 30 20 IKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NNc1ccc2c(=O)[nH]ccc2c1 789060000 FRTWINFDXAHHIN-UHFFFAOYSA-N 445.832 5.140 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1COC(=O)NC1CCCCC1 806264788 GQMARPKWJCMILL-HKUYNNGSSA-N 444.601 5.136 30 20 IKED Cc1ccc(Cn2nc(C)c(CCC(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)c2C)cc1 813217408 LBEXHDIQHFMJGL-NRFANRHFSA-N 440.469 5.080 30 20 IKED Cc1cc(-c2cc(C(=O)OCc3ccc(C#N)cc3F)c3cnn(C(C)C)c3n2)c(C)o1 825869171 RKRYAGPCCIAGRB-UHFFFAOYSA-N 432.455 5.257 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)n2)cc1 915099835 CPZFLHAIDBOTLB-OAHLLOKOSA-N 444.343 5.032 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2OC(F)(F)F)cc1 915352845 KFXTUXUDIKILKD-HXUWFJFHSA-N 425.410 5.562 30 20 IKED Fc1ccc(-c2csc3ncnc(NN=Cc4c(Cl)nc5sccn45)c23)cc1 916367176 UVOMARFJZNSKBC-UHFFFAOYSA-N 428.905 5.306 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C/c1ccc2cc(OC)ccc2c1 916904085 VYJHFKWEUHKVLW-FPSGLDNTSA-N 426.516 5.334 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccc(Cl)cc3)s2)cc1OC 916935369 PJNFMVJSLZTINN-MRXNPFEDSA-N 440.908 5.047 30 20 IKED COc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1F 916995474 FSBHHPADFLFVNG-HNNXBMFYSA-N 449.334 6.074 30 20 IKED N#C[C@H](C(=O)CCn1c2ccccc2c2ccccc21)c1nc2ccccc2n1C(F)F 917043762 OOOWCIJXWIHWQT-GOSISDBHSA-N 428.442 5.806 30 20 IKED C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 917044313 SIJNNRBRUFIKPF-CMPLNLGQSA-N 440.302 6.095 30 20 IKED C[C@H](OC(=O)c1cccc(OCc2ccccc2C#N)c1)c1nnc(-c2cccs2)o1 920635642 JMEJYLIYHGDASL-HNNXBMFYSA-N 431.473 5.167 30 20 IKED COc1ccccc1-c1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(O)n1 1537634654 VODLVNUODVFKQF-UHFFFAOYSA-N 437.455 5.379 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4nc(C)ccc4c3)cc2)CCC1 1789034244 AMBHAYUEPZSAMG-UHFFFAOYSA-N 439.559 5.485 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(Cl)c4)CCC3)cc2)cc1 1790707172 FFSISUHNDWMVJQ-UHFFFAOYSA-N 443.934 5.468 30 20 IKED C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1CSc1ccccc1 1800664770 AFPVWOIWJDOJKZ-NUNAXRQHSA-N 446.616 5.034 30 20 IKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)cc(C(C)C)c1 1800781841 WCAFYPNUDROIOE-HUJKARHJSA-N 447.417 5.037 30 20 IKED CCCCC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)cc(C(F)(F)F)c1)C2 1801715893 LNFAQUGCJOZFFZ-HUJKARHJSA-N 449.517 5.045 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@H](C)c3ccc(OC)cc3)CC2)C1 1804857736 WXDXUANOHLEULB-OAQYLSRUSA-N 440.628 5.022 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(C)(C)C)nc2)n[nH]1 1814349176 ZSDWTAXSQNAHBZ-OAQYLSRUSA-N 449.599 5.177 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ccoc23)n[nH]1 1821533316 XTTDUABWMGJKHV-FQEVSTJZSA-N 434.540 5.454 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)[nH]n1 1821922047 YFRMLBUYIHPMPC-VLIAUNLRSA-N 439.947 5.063 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)ccc2F)CC1 1823754805 CRDOKDUZHBIJOQ-HSZRJFAPSA-N 444.591 5.060 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2C2CC2)CC1 1828829687 LDFQCTUXWATCFS-OZXSUGGESA-N 434.624 5.566 30 20 IKED CC[C@H](C)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828904594 YWKIRNVZGAXCQD-GMAHTHKFSA-N 432.725 5.093 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/Sc2ccc(C)cc2)CC1 1831372901 KWJJVLSQSRVYIV-CWWZCEDNSA-N 440.653 5.433 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832631955 JSSDYTFENLWVSJ-BYXVTNLJSA-N 447.623 5.315 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@]2(F)CCCC=C2F)CC1 1832981833 XKKSBNVHRLQHDX-NBGIEHNGSA-N 436.587 5.344 30 20 IKED COc1ccc(/C=C2\N=C(SCCCC#N)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 8759856 UKMTVTRFKFBFQB-UYRXBGFRSA-N 441.940 5.138 30 20 IKED C[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 16793035 KNMGKSVWKMKZIZ-LLVKDONJSA-N 430.580 5.119 30 20 IKED O=[N+]([O-])c1ccc2sc(/C(O)=N/c3nnc(SCc4ccc(F)cc4)s3)cc2c1 23121329 ADXHFQXNVPHCEO-UHFFFAOYSA-N 446.510 5.729 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 60532826 WPBBQFHGQIXUKS-DEOSSOPVSA-N 433.939 5.159 30 20 IKED Cc1nccn1-c1ccc(CNCc2cccc(OCc3cccc(C#N)c3)c2)cc1F 63548965 MUBIBUFLMNASRV-UHFFFAOYSA-N 426.495 5.060 30 20 IKED COc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1OC(F)F 64715318 MRMFIFAGEXVXLH-NSHDSACASA-N 436.386 5.188 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3C[C@H]3c3cccc(Br)c3)s2)cc1 195747708 ZNXQTUIEMVDGQT-OALUTQOASA-N 438.350 5.110 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)c2cccc3ccccc23)nnc1-c1ccccc1F 215789393 IIKMWNNCRBXHGY-QGZVFWFLSA-N 446.551 5.393 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(OC)cc3)n2)nc2sc(C)c(C)c2c1=O 248253916 QXTVACZXILSHFX-UHFFFAOYSA-N 439.562 5.217 30 20 IKED Cc1occc1C(=O)Nc1cc(Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)ccc1F 302671739 NZRKIOMOURUDSH-UHFFFAOYSA-N 431.383 5.051 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccccc2NCC(F)(F)F)c1 303558307 KVBICSHHBVLIPG-UHFFFAOYSA-N 425.410 5.364 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 409524403 XUZUHDMXBOBIFH-RBBKRZOGSA-N 446.478 5.036 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)c1ccc(OC)c(Cl)c1 428094494 TWWLJSNUBXRQFV-OAHLLOKOSA-N 443.956 5.069 30 20 IKED C[C@@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 429090855 GDZZVMJYRBZEBK-HXUWFJFHSA-N 445.526 5.493 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)s1 430623368 NBWOOCVEZHDERD-JTQLQIEISA-N 435.887 5.102 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1cccc(N(C)C)c1 431842453 GEPCGQTZRSTJKX-UHFFFAOYSA-N 428.536 5.176 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)Nc1cccc(OCc2ccc(F)cc2)c1 432593122 MEQHUYMUHDTCMK-UHFFFAOYSA-N 431.467 5.024 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCOC[C@@H](C4CCC4)C3)cc2Cl)c1 432851070 IVKLUSLPQQKNRL-FQEVSTJZSA-N 439.943 5.071 30 20 IKED Cc1cnc(C2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2)s1 433519829 WNUNECFKUYNHGS-UHFFFAOYSA-N 446.576 5.508 30 20 IKED C=CCC[C@@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccccc1 435268419 DRYSEWPHHJTNBE-AREMUKBSSA-N 426.560 5.516 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3ncsc3-c3ccccc3)s2)cc1 438055231 ZNAUBAHOBXAMAR-UHFFFAOYSA-N 435.559 5.078 30 20 IKED CCN(Cc1ccncc1)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 438547089 PYHQPVARHVDVKH-UHFFFAOYSA-N 440.425 5.818 30 20 IKED N#CCC[C@H](NC(=O)N1CCC(c2ccccc2Br)CC1)c1ccccc1 439136029 XBHXMURCJCXPOR-NRFANRHFSA-N 426.358 5.383 30 20 IKED COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCC1CCC(C#N)CC1)CCO2 440991000 WDKHTBVWTJUIHI-ZSHKSDETSA-N 433.552 5.061 30 20 IKED C=CCC[C@H](NC(=O)Nc1cc2c(cc1F)CCC(=O)N2)c1ccc(C(F)(F)F)cc1 442225066 WPNOLTFPFHWFRK-KRWDZBQOSA-N 435.421 5.558 30 20 IKED C[C@H](C#N)CSc1ccccc1NCc1cccc(Br)c1OC(F)F 443459265 DTRANOUOGDXZHA-GFCCVEGCSA-N 427.314 5.914 30 20 IKED Cc1ccc(C)c(-c2csc(NC(=O)Cc3noc([C@@H](C)c4cccc(C#N)c4)n3)n2)c1 463054436 NVHQSIIGLQSAJJ-INIZCTEOSA-N 443.532 5.015 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CC[C@@H](CSc4ccccc4)C3)c2)cc1 464323901 JJYXRKNOBHVGPL-JOCHJYFZSA-N 428.557 5.392 30 20 IKED C[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nc(-c2cccc(F)c2)no1 464925189 YGVSQROJBBCSRX-OAHLLOKOSA-N 428.423 5.031 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 464941834 PDIWBSUDLDCVGW-MJGOQNOKSA-N 443.494 5.546 30 20 IKED Cc1nnc(-c2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)cc2)o1 467990670 OQHBQZOYBSEIOL-UHFFFAOYSA-N 430.851 5.615 30 20 IKED N#CCCCn1cc(C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c2ccccc21 469737092 ZKSVOWDMBZKBJG-DEOSSOPVSA-N 442.950 5.707 30 20 IKED CN(C)Cc1c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)oc2ccccc12 470530873 RBBUPRCCEACEOE-UHFFFAOYSA-N 429.451 5.550 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)CCc1ncc(-c2ccccc2Br)o1 470645807 FHUQBIJFKBOYAN-UHFFFAOYSA-N 439.353 5.642 30 20 IKED CCCOc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 473204369 STGKXDXFMUNZLO-QFIPXVFZSA-N 435.568 5.119 30 20 IKED C[C@@H](C#N)CSc1ccccc1NCC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 476394057 BJEJEEAUCZCNJN-GJZGRUSLSA-N 437.487 5.126 30 20 IKED C[C@@H](Cc1ccc(Br)cc1)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 479281041 LXEQYJUTHSNVJS-INIZCTEOSA-N 426.358 5.075 30 20 IKED C[C@@H](N[C@H](c1ccc(F)cc1)c1cnn(C)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 480695444 JVROHDPVESJOFH-CWTRNNRKSA-N 445.382 6.037 30 20 IKED CCc1ccc([C@H]2COCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)o1 480822329 JPDPFAJDCQHMDY-HSZRJFAPSA-N 431.492 5.420 30 20 IKED COc1ccc([C@@H](NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c2ccc(F)cc2)cc1 481056413 MIWQLWGEXRPLFH-SANMLTNESA-N 445.538 5.663 30 20 IKED C[C@@H](O)[C@](C)(CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)Cc1ccccc1 482191710 HVRYCTPDJWQJAW-HRFSGMKKSA-N 444.600 5.210 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccc(N2CCCCCC2)nc1 484160717 HNEPIQYNYBPULV-UHFFFAOYSA-N 442.588 5.415 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N(C)[C@@H](C)c1ccccn1 484868170 XSKVFIMPSDXQOZ-KRWDZBQOSA-N 434.565 5.253 30 20 IKED N#Cc1cc(NC(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)ccc1Oc1ccccc1 485129416 ZQGMCDDJIDFYSO-CYWCHRQTSA-N 445.906 5.005 30 20 IKED COc1ccc(-n2c(SCc3ccccc3C(C)(C)C#N)nnc2-c2ccccn2)cc1 489637540 ARYRIZGSIMGTCG-UHFFFAOYSA-N 441.560 5.431 30 20 IKED C[S@@](=O)c1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1F 495313135 UIBHKNFJYPYFFR-GDLZYMKVSA-N 428.872 5.133 30 20 IKED COc1cccc(C[C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 497699489 ICDHSTIVDUILRG-IBGZPJMESA-N 431.511 5.049 30 20 IKED C=CCNc1nnc(Sc2nc(COC)nc3scc(-c4ccccc4)c23)s1 498648765 KKDVGQTYQOWCRE-UHFFFAOYSA-N 427.580 5.105 30 20 IKED C[C@@H](NC(=O)N(C)Cc1nc(-c2cccs2)no1)c1ccc(-c2cccc(C#N)c2)cc1 501857274 GNYKVPDHYHAWKB-MRXNPFEDSA-N 443.532 5.239 30 20 IKED CCC(CC)(NC(=O)CCc1c(C)nc(O)c(C#N)c1C)c1ccc(Cl)c(Cl)c1 504580143 PSJVGINOBKYJMB-UHFFFAOYSA-N 434.367 5.347 30 20 IKED CC(C)N(Cc1cccc(OCc2cccc(C#N)c2)c1)Cc1nc(O)c2ccccc2n1 507460193 MITZNLHWPXKWKR-UHFFFAOYSA-N 438.531 5.197 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(C)(C)c2ccc(Br)cc2)cc1 508160773 SQAIJOUMTZUFNA-UHFFFAOYSA-N 441.369 5.180 30 20 IKED Cc1ccccc1[C@@H]1CCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 508358263 LJGCSVIGEMMLMF-GOSISDBHSA-N 435.578 5.032 30 20 IKED C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@@H](c2ccsc2)C1 508813525 PIWJXBDESHZYTQ-JOCHJYFZSA-N 438.597 5.114 30 20 IKED N#Cc1c(NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)sc2c1CCCCC2 508870481 NRYLUOVGLZTUIT-UHFFFAOYSA-N 441.641 5.473 30 20 IKED N#Cc1ccc(OC2CCN(Cc3coc(-c4ccc(Br)cc4)n3)CC2)cc1 509051636 BRVGNEQWYKQKFD-UHFFFAOYSA-N 438.325 5.019 30 20 IKED CN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccc(Br)cc1F 509718609 KWPGLACLQKKXGP-UHFFFAOYSA-N 439.284 5.315 30 20 IKED COc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc(OC)c1C(C)C 510295005 GYLOWSMQYIFNRU-UHFFFAOYSA-N 444.531 5.725 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1Cl 510642037 XWXLJKXHFHXFAH-GGAORHGYSA-N 449.938 5.802 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1OCC 512946596 BULJQKXIFDHOQP-INIZCTEOSA-N 441.940 5.536 30 20 IKED Cc1cc(C)c2c(-c3ccccc3)nc(S[C@H](C)C(=O)Nc3ccccc3C#N)n2n1 514651588 RWYGRRGQNZNGJF-QGZVFWFLSA-N 427.533 5.004 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 515171408 DKFNAQLXTVZZMJ-UHFFFAOYSA-N 430.445 5.429 30 20 IKED N#Cc1cccnc1Oc1ccccc1NCC(=O)Nc1ccccc1Cc1ccccc1 515446304 CIDLGZHHRZKFMD-UHFFFAOYSA-N 434.499 5.387 30 20 IKED Cc1cccn2c(NC(=O)c3ccc(COc4ccccc4C#N)o3)c(-c3ccccc3)nc12 515638964 DLUXLHNXRICHRI-UHFFFAOYSA-N 448.482 5.606 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1OCCC(C)C 516713619 BYDOXSZFFJMCDL-FQEVSTJZSA-N 445.544 5.605 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 517456723 YKDFHBPCONNNFQ-QGZVFWFLSA-N 446.532 5.711 30 20 IKED C[C@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)NC(=O)c1ccccc1 517821513 RFCHKOJCTBVOJE-VGSWGCGISA-N 431.923 5.143 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)cc1 518043965 MBEBCHBSZGHIPX-UHFFFAOYSA-N 439.450 5.404 30 20 IKED Cc1cc(Br)cc(C)c1CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 521956093 HEECNSGDFFUYEN-UHFFFAOYSA-N 436.309 5.055 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2nc(-c3ccccn3)cs2)c1 522574844 JCLGAXXHXNZUFC-UHFFFAOYSA-N 432.892 5.775 30 20 IKED CNC(=O)c1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)ccc1Cl 522641462 JOUIYYAJDVEILC-UHFFFAOYSA-N 440.286 5.269 30 20 IKED C=CCN(C(=O)C1CC(c2cccc(F)c2)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 523353686 NCOBCSQSJBAWLM-UHFFFAOYSA-N 437.496 5.570 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Nc3ccc4c(c3)OCCO4)cc2Cl)c1 523666502 TUPXCLOUDNWCKL-UHFFFAOYSA-N 435.867 5.206 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 532895844 LSHWCFABPVEPTO-UHFFFAOYSA-N 438.940 5.006 30 20 IKED C[C@H](C(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(C(=O)c2ccccc2)c1 534904170 ORSFOVXVOTXOFI-MOPGFXCFSA-N 428.557 5.912 30 20 IKED CC(=O)N(c1nc(CN(Cc2ccc(C#N)cc2)C(C)C)cs1)c1ccc(C)cc1C 535196469 OBTIQIYMKLIVCC-UHFFFAOYSA-N 432.593 5.727 30 20 IKED N#CCCN(Cc1cccnc1)C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl 535367505 CYNPKJIBIHSPKJ-UHFFFAOYSA-N 439.346 5.617 30 20 IKED Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)NC2(C#N)CCSCC2)cc1 535949607 TZVYCMNMWHZUPP-UHFFFAOYSA-N 433.602 5.234 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)NCc1ccc(OCc2ccccn2)cc1 537575261 KAFMNGWWLWACBJ-UHFFFAOYSA-N 435.483 5.255 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cccc2c1CN(c1nccs1)C2 538691585 ZBKZYLHNISUUGZ-UHFFFAOYSA-N 438.512 5.580 30 20 IKED CC(C)N(Cc1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)cc1)C[C@H]1CCCCO1 539319298 AKGPLKHXJHLTLG-RUZDIDTESA-N 431.580 5.008 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ccc(Br)s2)s1)c1nnc2n1CCCCC2 542950047 NTGJVTXQUSCDNB-LLVKDONJSA-N 447.383 5.047 30 20 IKED C[C@@H](Nc1cc(N[C@H](C)c2ccc(C#N)cc2)c([N+](=O)[O-])cc1C#N)c1ccc(C#N)cc1 553310013 RXNOVYPPAVQCCF-IAGOWNOFSA-N 436.475 5.556 30 20 IKED C=CCn1c(COCc2ccccc2)nnc1N1CC=C(c2c(C)[nH]c3ccccc23)CC1 564371910 PTRJODVMMMEUJF-UHFFFAOYSA-N 439.563 5.264 30 20 IKED CC1(C(=O)Nc2ccccc2OCC(F)F)CCN(c2ccc(Cl)cc2C#N)CC1 567141640 NZKMABVYDMVYHD-UHFFFAOYSA-N 433.886 5.101 30 20 IKED Cc1cc(N2CCCCCC2)ccc1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 586826481 XGQCIZNHFAVLAW-UHFFFAOYSA-N 434.559 5.241 30 20 IKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@H](C#N)c3nc4ccccc4s3)c12 587988848 ZBWZJXUGKMMPFR-INIZCTEOSA-N 428.448 5.437 30 20 IKED N#C[C@H](C(=O)c1csc(Cc2ccc(F)cc2)n1)c1nc2cc(Cl)ccc2s1 589019399 RAEGMCFUFYDRAI-CQSZACIVSA-N 427.913 5.626 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCc1nnc(-c2ccsc2)o1 603533199 SMTPPQOWCDQHAK-UHFFFAOYSA-N 446.507 5.283 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCc1nnc(-c2ccsc2)o1 603533990 YHHILUASKGLPHN-UHFFFAOYSA-N 446.507 5.283 30 20 IKED CSc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1NC(C)=O 603784759 MKVVEAUCBMWBGH-FQEVSTJZSA-N 449.963 5.928 30 20 IKED CC(C)c1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)nn1C(C)(C)C 603995093 SHYXEPRZQLWBJF-UHFFFAOYSA-N 429.524 5.138 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl 604101874 BWXHGWGFPOQAKT-UHFFFAOYSA-N 437.286 6.094 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1 609081499 QSIGBQJKAGSMBI-CQSZACIVSA-N 428.464 5.181 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(CNC(=O)C4CCCC4)cc3)c2)cc1 609176235 CPFMRYVPHZFQRQ-UHFFFAOYSA-N 439.515 5.409 30 20 IKED Cc1cc(-c2cc(C(=O)N[C@@H](C#N)c3ccc(Cl)cc3)c3cnn(C(C)C)c3n2)c(C)o1 609286993 IVXVRIDCMWYLDS-QFIPXVFZSA-N 447.926 5.537 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 609318735 WANBHPRKZVZVNZ-LJQANCHMSA-N 438.286 5.008 30 20 IKED Cc1nn(-c2ccccc2)c2nc(C(=O)Nc3ccccc3SC[C@H](C)C#N)ccc12 609377701 ZVZGASCFIPKJBH-MRXNPFEDSA-N 427.533 5.233 30 20 IKED CC(C)c1noc(-c2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cc2)n1 609503293 MDGROZZXWURSPP-UHFFFAOYSA-N 425.448 5.171 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3csc(-c4ccoc4)n3)cc2Cl)c1 609970444 GHNANDDQSCASPY-UHFFFAOYSA-N 449.919 5.688 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@H](Oc4cccc(F)c4)C3)c2)cc1 612300540 NVODAGHDDMAMIE-VWLOTQADSA-N 445.494 5.156 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3SCC(=O)NC(C)C)n2)cc1 613314664 SEHQOCRPFUOVBK-IBGZPJMESA-N 449.601 5.225 30 20 IKED COc1cccc(NCc2nnc(SCc3ccc(C#N)cc3C)n2C2CCCCC2)c1 614400992 WEHJLCKCTJQDIK-UHFFFAOYSA-N 447.608 5.876 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCOc2cccc(F)c2C1 619788223 YYQUZABKOGGSED-UHFFFAOYSA-N 431.467 5.011 30 20 IKED CC(=O)c1ccc(OCCCC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1 642077060 NIOQUUVRQOARLZ-UHFFFAOYSA-N 444.506 5.601 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccc(F)cc1 669910172 JDWPIMGMJIVDMI-QGZVFWFLSA-N 438.572 5.821 30 20 IKED O=C(CC1(C(F)(F)F)CC1)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F 673539749 YVAXPYFORLSZOB-UHFFFAOYSA-N 448.338 5.768 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1C(F)(F)F 676036788 BIXPVHCGLAUPRR-HTQZYQBOSA-N 425.266 5.484 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N(C)Cc2ccccc2C(F)(F)F)c1C(F)F 676151169 UYFRWKWNFKBNDY-UHFFFAOYSA-N 429.311 5.150 30 20 IKED Cc1cc([C@@H](NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C2CC2)ccc1F 677590430 VTDSNVQYVMGMAB-LZWOXQAQSA-N 426.376 5.358 30 20 IKED O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 684801104 ZSYDPAFQNLLEBM-AYGWYOGXSA-N 432.767 5.107 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC(C(=O)c4ccc(F)cc4)CC3)cc2)ccn1 685681379 ISZFLTZZRGYZPD-UHFFFAOYSA-N 444.466 5.011 30 20 IKED CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=S)Nc1ccc(C#N)c(Cl)c1 726479362 TXDPDNVKKDETLQ-UHFFFAOYSA-N 444.000 6.687 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](O)c2ccccc2C(F)(F)F)cc1 728738255 NEVLMSYBUKVORC-IRLDBZIGSA-N 439.437 5.216 30 20 IKED CCN(C(=O)c1ccccc1OCC#N)[C@H]1CCSc2ccc(Br)cc21 728846918 WAMZFMAVYVRPNE-KRWDZBQOSA-N 431.355 5.051 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Oc1c(Cl)cc(C#N)cc1OCC)O[C@@H](C)C2 730469603 IRQWNKAKOMNJHB-OWQGQXMQSA-N 441.911 5.042 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3ccccc3OCc3ccccc3Cl)o2)c1 741834870 DHCMRCZLKRDRAU-UHFFFAOYSA-N 445.862 5.198 30 20 IKED CC(=NNc1nc2cc(C(F)(F)F)ccc2s1)c1sc(-c2cccnc2)nc1C 743445473 WEDUUIFWSVOCAF-UHFFFAOYSA-N 433.484 5.978 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2sc(N3CCCC3)nc2Cl)cc1F 743810638 FZKNBMDNQDVEPF-UHFFFAOYSA-N 442.903 5.452 30 20 IKED COc1ccc(NN=Cc2cn(-c3ccccc3)nc2-c2cc(OC)ccc2OC)cc1 750945344 GHKNXOAJPIWBTJ-UHFFFAOYSA-N 428.492 5.011 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccsc2)N([C@@H]2CC23CCCC3)C1=O)Nc1ccccc1F 757922485 ZCSJYZXICANWNJ-ZWKOTPCHSA-N 443.569 5.180 30 20 IKED COc1ccc2c(c1)OC[C@@H]2CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 760968020 GZIFPVDEBNPUFN-NHYWBVRUSA-N 432.423 5.066 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)c3ccc(-c4nc5ccccc5s4)s3)CCO2)c1 762309321 FEMMDULITYCPAF-SFHVURJKSA-N 431.542 5.110 30 20 IKED C[C@@H](NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1ccc(C(C)(C)C)cc1)c1ccccc1 762439091 CMVUKVWPASOUSH-LJQANCHMSA-O 442.608 5.705 30 20 IKED C=CCN(Cc1cccs1)C(=O)NCc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 763640802 XGSQYHGFUBQMHF-KRWDZBQOSA-N 429.586 5.232 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)cc1 764856015 YNQBAMOYYJSWKU-JOCHJYFZSA-N 441.314 5.311 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C1CCN(C(=O)OC(C)(C)C)CC1 766239013 ZWYSCEMZXBOSMG-NVXWUHKLSA-N 427.570 5.146 30 20 IKED C#CCN(C(=O)Nc1c(C)cccc1Cl)[C@H]1CCOc2ccc(Br)cc21 767991392 UXDBXXRTMOQEJY-KRWDZBQOSA-N 433.733 5.402 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(N2C(=O)N[C@H](Cc3cccc4ccccc34)C2=O)cc1 771903019 HMSMYFLBFVHFSM-CLJLJLNGSA-N 431.495 5.163 30 20 IKED C[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)[C@@H](C)Oc1ccc(Cl)cc1Cl 777114316 IVRFPDYHNZDQFA-HUUCEWRRSA-N 434.367 5.094 30 20 IKED C=CC[C@H](OC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)c1ccccc1 778739875 TVGVPKULNDWKPE-OALUTQOASA-N 447.318 5.059 30 20 IKED CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 780315751 XKGIPIBYFZHLGK-GOSISDBHSA-N 446.457 5.669 30 20 IKED CC(C)(C)c1nsc(Oc2ccc(NC(=O)Cc3ccccc3CC#N)cc2Cl)n1 781101301 TVSXFPDHWCZFLW-UHFFFAOYSA-N 440.956 5.529 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cccc(OCC(F)(F)F)c3)n2)cc1 784491642 GBRBRRIDNAONCI-SFHVURJKSA-N 430.451 5.479 30 20 IKED N#C[C@H](C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)C(=O)NCc1cccc(Cl)c1 786547880 YJVTWTDODQHSGD-IEXSPKMKSA-N 441.236 5.051 30 20 IKED CC[C@H](NC(=O)[C@@H](C#N)C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)c1ccccc1 787039640 SHUWNZSEGLNBJJ-GDEFMPCUSA-N 434.845 5.262 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)/C=C\c1ccc(Cl)s1)c1ccc(Cl)cc1Cl 787048650 GUWKULXMIWTWQP-CBLDJNQWSA-N 427.740 5.308 30 20 IKED C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)[C@H](C#N)c1nccc2ccccc12 792103225 RKXRVOVYGKCTGG-MLGOLLRUSA-N 429.701 5.294 30 20 IKED N#C[C@@H](C(=O)[C@@H](Sc1ccc(F)c(Cl)c1)c1ccccc1)c1cnc2ccccc2n1 792108630 NCZJDCGEBDCKAM-OSPHWJPCSA-N 447.922 6.132 30 20 IKED C[C@@H](OC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1nc(-c2ccccc2)cs1 796994245 PTSWWDZDHXCASO-MRXNPFEDSA-N 435.524 5.342 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(-c2noc([C@H]3CCN(c4ccc(C#N)cc4F)C3)n2)c1 804609115 NFCWHLMPWVSALQ-KRWDZBQOSA-N 449.486 5.088 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccc(F)cc2Cl)CC2CC2)c1 805113655 KGJJLZNLKKUBJR-HXUWFJFHSA-N 429.923 5.282 30 20 IKED COc1ccc([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(C)c1OC 806200928 PUVWNYQRCQATHN-FDDCHVKYSA-N 429.520 5.550 30 20 IKED Cc1ccc(-c2n[nH]cc2C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)cc1 812434286 PLUSMYGUDIJNRK-UHFFFAOYSA-N 429.336 5.121 30 20 IKED CC(=NNc1ncnc2c1cnn2-c1ccccc1)c1sc(-c2ccc(F)cc2)nc1C 814803048 HMXTZNUEQZXPON-UHFFFAOYSA-N 443.511 5.223 30 20 IKED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CC(=O)N[C@@H](CCCC#N)c1ccccc1)C2 817324468 DOSXDJNGXMPUCY-FKBYEOEOSA-N 425.573 5.106 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl 825211790 JMPULCZWDRYLFS-QHHAFSJGSA-N 443.208 5.079 30 20 IKED C[C@@H](Nc1ccc([C@H](O)C(F)(F)F)cc1)c1ccc(OC(F)F)cc1OC(F)F 864024073 XSPKTCITZUSOHA-PSLIRLAXSA-N 427.316 5.658 30 20 IKED Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 916073640 CVTKJVKXGSYJRH-UHFFFAOYSA-N 429.867 5.145 30 20 IKED CCOc1cc(/C=C\C(=O)c2cc3cc(Cl)ccc3o2)ccc1O[C@@H](C)C(=O)N(C)C 916129939 CPCKWOFPHGBHPC-AJHXJQRKSA-N 441.911 5.237 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2COc3ccccc3C2)cc1Cl 916200011 RYETULWUVSFFPJ-JTSKRJEESA-N 431.923 5.368 30 20 IKED CC[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1OC 916720148 HRZAEEAIKBTLBK-HSZRJFAPSA-N 429.520 5.613 30 20 IKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)sc2cccc(F)c12 916885712 AOAPXHIOQRQLAS-ZDUSSCGKSA-N 434.464 5.625 30 20 IKED Cc1ccc(Cl)c(O[C@@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 916910803 UMLKFNYLEJBJDI-HKUYNNGSSA-N 448.906 5.556 30 20 IKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cc2c(s1)-c1ccccc1OC2 916936959 YSNUVLWHKZHRSK-AWEZNQCLSA-N 426.856 5.061 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)COc4cccc5ccccc45)CCC3)cc2)C1 1785804449 GYZWTHIGMQZXGK-UHFFFAOYSA-N 440.543 5.319 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccccn34)cc2)CCC1 1788994429 HAMDQHFFELCDLN-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccco4)no3)CCC2)cc1 1789451483 JMDKUHUFUNBBBK-FQEVSTJZSA-N 445.519 5.451 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnn(C(C)(C)C)c3)CCC2)cc1 1789624059 GCJPQCODBXYFSX-UHFFFAOYSA-N 436.600 5.378 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3occ(Cl)c3c1)C2 1798592136 GBFOGSUJUOERNS-BCDXTJNWSA-N 428.960 5.330 30 20 IKED CC(C)(C)CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(C#N)c1Cl)C2 1801831716 LIOCELCKZKOCSC-ACDBMABISA-N 444.019 5.460 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2Cl)[C@@H]1c1cccnc1 1802494104 BTWQKEPOYLBETB-SIKLNZKXSA-N 439.987 5.047 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)cc(C)c2)[C@H]1c1cccnc1 1811881940 UHTAKYAYGVDCMM-LADGPHEKSA-N 433.596 5.010 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cccs2)CC1 1827078855 ZXXZLAJKPSRYFN-NELJVSICSA-N 428.642 5.373 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccsc3[nH]2)CC1 1830883605 YJSHTSDHAJCDMG-OAQYLSRUSA-N 441.641 5.455 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3CC4(CCC4)C3)CC2)c1 1832480639 ZMCQBTUZCLQFAX-NBGIEHNGSA-N 447.623 5.127 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1[nH]c3ccoc3c1-c1ccccc1)C2 1844203005 OPUUPTITVNGFJO-HXUWFJFHSA-N 443.547 5.013 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccc(Cl)cc1Cl 14133487 PLYALQJIPOOHSA-UHFFFAOYSA-N 447.391 5.786 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C2CC2)cc1 26754303 DTHCRMOIKNQBEH-INIZCTEOSA-N 437.594 5.077 30 20 IKED Cc1cc(C)cc(-c2nnc(SCC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)o2)c1 46581970 RWFOCAOITLONKS-SFHVURJKSA-N 446.557 5.446 30 20 IKED C=CCn1c(SCCC(=O)Nc2ccccc2Cl)nnc1-c1ccc(Cl)cc1 59794963 MJKTUFRGYDYTSS-UHFFFAOYSA-N 433.364 5.559 30 20 IKED CC(=O)CCc1ccc(OCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 62880058 IRNFBEOMMRASKU-XMMPIXPASA-N 446.934 5.535 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1ccc(C)cc1)c1ccc(OC)cc1 63403635 UFSBEKBHLUELJQ-AREMUKBSSA-N 425.532 5.363 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(C)o2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 63415831 QLWDUXRNTIZUPD-GFCCVEGCSA-N 442.541 5.303 30 20 IKED COc1cccc(CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1OC 107648567 POJZKJXLJNEDSZ-NRFANRHFSA-N 434.923 5.584 30 20 IKED CC(C)(C)CN(CCC#N)C(=O)c1ccc(COc2ccccc2Br)cc1 303166654 ATSJLUWFEPMQOM-UHFFFAOYSA-N 429.358 5.430 30 20 IKED C=CC[C@@H](CC)NC(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 410136446 RWNHNTOBYXOCPV-GDBMZVCRSA-N 427.595 5.157 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(OCC(F)(F)F)c(OC)c1 410415989 VXDLWPUIPTXACC-UHFFFAOYSA-N 448.894 5.249 30 20 IKED CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)N(CCC#N)CCC(C)C)cc1 428860581 MHDVOTBLPLCCPB-UHFFFAOYSA-N 443.569 5.066 30 20 IKED CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cccc(SCC#N)c1 430690168 FUILZVZCFIXSJX-UHFFFAOYSA-N 436.556 5.316 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 432862804 AQAUNZAVGNIQFF-MRXNPFEDSA-N 425.529 5.347 30 20 IKED CCc1ccc([C@@H]2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)cc1 432915627 FVSPKQBLSYPJBS-XMMPIXPASA-N 439.559 5.915 30 20 IKED N#CCCn1cc(CN2CC=C(c3ccc(Cl)c(Cl)c3)CC2)c(-c2ccncc2)n1 434988135 XUPHAGBQZZZEOX-UHFFFAOYSA-N 438.362 5.455 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1 435599275 SFRVZHIWSWFWGX-AWEZNQCLSA-N 425.476 5.528 30 20 IKED COc1ccc(-c2ccc(CNC(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)cc1 438054329 CHDGGNKRAUTZJZ-GOSISDBHSA-N 431.561 5.936 30 20 IKED Cc1cc(Sc2ncccn2)ccc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 438131596 XSWPEHPFEVJOMN-RBBKRZOGSA-N 429.549 5.240 30 20 IKED COc1ccc([C@@H](NC(=O)NCC2CCC(C#N)CC2)c2ccccc2Cl)c(OC)c1 440988315 QTKWQAIOTCQIQB-OCJFHSIUSA-N 441.959 5.076 30 20 IKED CC[C@H](C)[C@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccc(Cl)cc1 442161853 BADIVVIGLNSMLV-YWZLYKJASA-N 429.973 5.188 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2C[C@H]2C2CCCCC2)cc1Cl 442559929 VEEVUCKWUQVYLG-XJUOHMSHSA-N 435.955 5.019 30 20 IKED Cn1c(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc2cc(C(F)(F)F)ccc21 442678571 JPSNJZHHUHHQLM-INIZCTEOSA-N 425.435 5.811 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)cc1 442685924 VMDZPRBNZDVWHS-OAHLLOKOSA-N 431.395 5.536 30 20 IKED N#Cc1ccc(CN(C(=O)C(=O)Nc2ccc(Cl)cc2-c2ccccc2)C2CC2)cc1 443703657 DAMUEZSMWFLBMP-UHFFFAOYSA-N 429.907 5.008 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O 460957980 NQMAPKYHBVWARK-QFIPXVFZSA-N 445.906 5.304 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCc1ncc(-c2ccccc2Br)o1 462236127 WUVKGGXFYULQII-AWEZNQCLSA-N 428.355 6.110 30 20 IKED O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 464723419 AOYOFXCDBVZTOY-QWHCGFSZSA-N 443.322 5.190 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)Nc3ncccc3OCCCC#N)s2)cc1 466605182 YERNQIXWIFPOED-KRWDZBQOSA-N 435.553 5.387 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 468884643 HPFKZIJFRILUFA-UHFFFAOYSA-N 444.531 5.584 30 20 IKED Cc1csc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c1I 468914044 JOTLEMZMTUNRCK-SNVBAGLBSA-N 442.347 5.165 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1noc(-c2ccccc2)n1 472665161 VSLHLKRGPPRXQH-HNNXBMFYSA-N 428.423 5.031 30 20 IKED Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccccc3S[C@H](C)CC#N)n2)n1 475776908 UAJASXGSPIKJAX-OAHLLOKOSA-N 425.945 5.184 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]3c3ccc(F)cc3)cc2F)c1 481575767 RQDUGDAHRAIVRT-HSZRJFAPSA-N 433.458 5.784 30 20 IKED Cc1nc2ccccc2n1C1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 482907822 ZFNXMSSGPWFQMF-GOSISDBHSA-N 447.608 5.015 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCCNc1ncc(Cl)cc1Cl 484697109 UKLJJHKBFKBYMU-UHFFFAOYSA-N 443.359 5.253 30 20 IKED CCN(Cc1ccccc1)c1ccc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1 486309645 HJEFELXCMAGFBI-UHFFFAOYSA-N 441.531 5.045 30 20 IKED CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)s1 487335359 NEBJHFFAYIFFGH-AWEZNQCLSA-N 441.940 5.515 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1nc2cc(Cl)ccc2n1C 489619846 QCWSEITVCQMDBY-UHFFFAOYSA-N 439.972 5.184 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(Oc2nccs2)cc1 494468111 IFYUJCAUZJJTFG-OAHLLOKOSA-N 425.535 5.347 30 20 IKED C=CCn1c(SCc2ccc(Oc3ccccc3)nn2)nnc1-c1ccc(OC)cc1 497993982 LLQSCXNLGZGZKA-UHFFFAOYSA-N 431.521 5.014 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1 498569763 JFSSMKLJRVKFFY-QHCPKHFHSA-N 439.540 5.724 30 20 IKED Cc1ccc(F)c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1F 499606759 DLYYBLPUPVKKDU-UHFFFAOYSA-N 437.393 5.463 30 20 IKED N#C[C@@H](NC(=O)c1cccc([C@@H]2CCCOC2)c1)c1ccc(OCc2ccccc2)cc1 501131575 YTBBLGKZSIIYHC-AOYPEHQESA-N 426.516 5.154 30 20 IKED Cc1nc([C@H]2CCCCCN2C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)no1 501787276 JBRZGCQHYOTBBQ-HXUWFJFHSA-N 436.899 5.453 30 20 IKED CC(C)n1ncc2c(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc(-c3ccccc3)nc21 503979308 BUKDPPNZLZFWCE-UHFFFAOYSA-N 447.542 5.480 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC(c4ccccc4)CC3)s2)cc1 510240262 VKWZBXFRCRSHRL-UHFFFAOYSA-N 435.578 5.114 30 20 IKED CCN(C[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 510670429 XFMGPXSQIKBHBE-NRFANRHFSA-N 429.476 5.044 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccccc1S(=O)(=O)C(C)C 512858798 YXNHORMGHYWDFJ-UHFFFAOYSA-N 434.517 5.093 30 20 IKED CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1 513511475 FVOAQIHDTZUZLM-UHFFFAOYSA-N 433.895 5.391 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc3ncccc23)nnc1-c1cccc(C)c1 514955053 DLKINHQDAIHLGI-QGZVFWFLSA-N 429.549 5.107 30 20 IKED CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 516469331 NZKVTSYSMSLGRO-UHFFFAOYSA-N 447.558 5.894 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1cccc(Br)c1)C1CC1 517473077 IFTAFWLDUWKILG-OAHLLOKOSA-N 444.398 5.897 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)cc1 518024328 NEFAFLKXIDXKIZ-UHFFFAOYSA-N 442.544 5.387 30 20 IKED Cc1nn(Cc2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)c(C)c1[N+](=O)[O-] 518240155 TUPBBLRFWAYYNU-HNNXBMFYSA-N 449.536 5.103 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCCCOc1ccc(Cl)cc1Cl 520941277 ILVFCALMKROLLT-CQSZACIVSA-N 438.380 5.978 30 20 IKED Cc1ccc(C(=O)CCC(=O)CCC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)s1 521291962 FWGVLAFRTMFCOP-MRXNPFEDSA-N 437.348 5.057 30 20 IKED COc1ccc(Br)c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1 522208221 YIEABOSVKQWOOT-UHFFFAOYSA-N 437.293 5.161 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H](c2ccccc2)n2cccn2)cc1Cl 522654513 MVJUYMRCDRDQLV-UPVQGACJSA-N 426.907 5.420 30 20 IKED CCC[C@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccccc1 524427804 HWCSXUUIAOLXQV-VWLOTQADSA-N 441.531 5.042 30 20 IKED CC(C)S(=O)(=O)Cc1cccc(NCc2cccc(OCc3ccccc3C#N)c2)c1 532736362 STCPQBJRPSZQKR-UHFFFAOYSA-N 434.561 5.073 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1Cl 536379723 YEBNNAVXDNYBNM-UHFFFAOYSA-N 445.906 5.492 30 20 IKED COc1ccc(CN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H]2CCCC[C@H]2C)cc1OC 537855111 QHBGSPYETGTEHC-GCJKJVERSA-N 446.551 5.206 30 20 IKED Cc1nc(-c2ccc([C@@H](C)NCC(=O)N(CCC#N)c3cccc(C)c3C)cc2)cs1 538179787 PYKLUODWDNGUER-LJQANCHMSA-N 432.593 5.333 30 20 IKED C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NC1CCC(Oc2ccccc2C#N)CC1 539081044 GFUAUSCWKYIKLA-IPJUCJBFSA-N 445.485 5.274 30 20 IKED COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2Cc2nnc(-c3ccc(C#N)cc3)o2)c1 543190109 NGUAZYNRZQUBPZ-AZGAKELHSA-N 436.515 5.348 30 20 IKED COC(=O)c1coc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c1 543980438 FNKFTZHHFZGBBM-CYBMUJFWSA-N 449.269 5.497 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)c1nc(-c2cccc(NC(=O)c3ccccc3F)c2)no1 544943706 DUBZZPHRKHJUBO-HNNXBMFYSA-N 428.423 5.140 30 20 IKED C=CCn1c(SCc2nc(CSCC)no2)nnc1-c1ccc(Cl)cc1Cl 546422850 ARBPEDANNVYSBD-UHFFFAOYSA-N 442.397 5.366 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 549250750 IFMRHHNVUATDCD-JTSKRJEESA-N 431.565 5.097 30 20 IKED C[C@](C#N)(NC(=O)CCc1ncc(-c2ccccc2Br)o1)C1CCCCC1 550743423 QPRYGCGWKALVSK-OAQYLSRUSA-N 430.346 5.015 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC([C@H]2CCCO2)CC1 555264599 AFBKZATUGODGKA-LAUBAEHRSA-N 430.980 5.043 30 20 IKED COCCC[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(Cl)cc1 557059905 UKKCOIXVLDJNCU-OAQYLSRUSA-N 449.938 5.339 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@H](c1ccccc1)c1ncc[nH]1 557591002 RXDWIRGXTPQFIQ-LJQANCHMSA-N 442.332 5.048 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)Nc2cc(C(F)F)ccc2Cl)cc1 561030625 VNWLQZIVQIMPMI-UHFFFAOYSA-N 439.849 5.071 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)c1ccc(Oc2cccnc2)cc1 561786677 WLRAHSLMJJDKQL-OALUTQOASA-N 446.576 5.557 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 562164353 LKYJOOGHOQVUMD-CPJSRVTESA-N 434.609 5.068 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1ccc(Br)cc1F 564371163 PJWLCLBUCPOUSA-STQMWFEESA-N 436.350 5.865 30 20 IKED Cc1sc(C2(NCc3ccc(C#N)cc3OC(F)F)CCC2)nc1-c1ccccc1F 570532295 IKZIBYPIOCXOBB-UHFFFAOYSA-N 443.494 5.900 30 20 IKED N#Cc1cccc(CCNC(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1 573251576 SQRBEROJOYEFIP-KRWDZBQOSA-N 429.364 5.112 30 20 IKED COCC[C@](C)(C#N)NC(=O)c1sc2ccccc2c1CSc1ccccc1Cl 573404886 MOBLVWHVPQZRAI-JOCHJYFZSA-N 445.009 5.896 30 20 IKED CC1(C#N)CCN(c2nnc(-c3ccc(Br)s3)n2Cc2cccs2)CC1 574222238 SOOKAVZQAMJCEL-UHFFFAOYSA-N 448.415 5.009 30 20 IKED C=CCn1c([C@H]2CCOC2)nnc1N(Cc1ccc(-c2ccccc2OC)cc1)C(C)C 576624695 DTSRXUPNPRKYTL-QFIPXVFZSA-N 432.568 5.059 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1nc2ccccc2o1 579136231 DSSZLXSYMIRKEH-MRXNPFEDSA-N 436.393 5.400 30 20 IKED C=CCn1c([C@@H]2COCCO2)nnc1N(Cc1ccc(-c2ccc(C)cc2)s1)C(C)C 582992471 FFKKLOPYZIVIIO-NRFANRHFSA-N 438.597 5.004 30 20 IKED Cc1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1NC(=O)c1ccccc1 603587644 LXQNRPQPWLEELA-UHFFFAOYSA-N 438.512 5.495 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cn2)cc1 603690954 VTZNREYMGJBILS-UHFFFAOYSA-N 438.491 5.033 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccc4ncccc34)s2)c(C(F)(F)F)c1 603757736 KDSBWNKANYTDKK-UHFFFAOYSA-N 438.434 5.425 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1cc(O)nc2ccc(F)cc12 606202522 XHWXANLPZCGRHT-UHFFFAOYSA-N 448.294 5.292 30 20 IKED COc1ccc2c(c1)c(C(=O)[C@H](C#N)c1nc3ccccc3n1C)c(C)n2Cc1ccccc1 606754346 SYIGJTVQHBRFDQ-QFIPXVFZSA-N 448.526 5.383 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1 608804349 VEBMHMHTQWOWJR-UHFFFAOYSA-N 436.427 5.042 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@H](c3ccccc3)[C@H]3CCCO3)c2)cc1 608841744 VDURIAJDHJYXGQ-CLJLJLNGSA-N 441.531 5.373 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccccc3F)C2)cc1Cl 608994702 QHMQHVTVQFYNRW-ZJSXRUAMSA-N 449.913 5.740 30 20 IKED COc1ccc([C@H](CNC(=O)c2cc3ccccc3n2CC#N)c2c[nH]c3ccccc23)cc1 609161656 MCNFAGRSXPMVMP-QHCPKHFHSA-N 448.526 5.217 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)NC2(c3ccc(Br)cc3)CCOCC2)cc1 609322847 RQIKNSFHBAPRPN-UHFFFAOYSA-N 442.357 5.078 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NCCCc3nc4c(s3)CCCC4)cc2)cc1 609503405 NZBITVRPYYDGOF-UHFFFAOYSA-N 431.561 5.243 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)N(C)S(=O)(=O)c3ccc(C#N)c(Cl)c3)s2)cc1 610087062 MUGVIMDQSNVLHL-OAHLLOKOSA-N 445.997 5.334 30 20 IKED Cc1nc(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)n(CC(C)C)c1C 611190648 MYMFILBPJPYYJU-UHFFFAOYSA-N 449.624 5.225 30 20 IKED COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 611842012 HOEMMMYFEIUNPM-FQEVSTJZSA-N 435.915 5.165 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1nc(-c2ccc(Cl)cc2)cs1 613319587 IETDJZITLHZVAQ-OAHLLOKOSA-N 439.327 5.997 30 20 IKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 613403175 MSUHNKVBHFBSTH-LBPRGKRZSA-N 431.970 5.794 30 20 IKED N#CCn1c(C(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)cc2ccccc21 613409309 ZXBOOELOKGWUHV-IBGZPJMESA-N 426.289 5.044 30 20 IKED C=CCn1c(S[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)nnc1-c1cccnc1 613991779 LNASPSOGLWPINH-SFHVURJKSA-N 441.560 5.632 30 20 IKED Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)[C@H](C#N)c2nc3ccccc3o2)c1 614439731 GHKZNOUCGPQSTR-FQEVSTJZSA-N 436.446 5.618 30 20 IKED N#C[C@@H](C(=O)c1ccc(COc2cccc(Br)c2)o1)c1nc2ccccc2o1 614439815 LYRRIGGDAYZGPM-INIZCTEOSA-N 437.249 5.252 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC[C@@H]1Cc1cccc(F)c1 615683211 ROLKXQDNFNHBII-YQFWSFKMSA-N 440.403 5.452 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2cccc(Cl)c2Cl)cc1 619109262 NBUQFFQTMRFVPP-UHFFFAOYSA-N 425.315 5.820 30 20 IKED Cc1noc(C)c1CSc1ncccc1C(=O)Nc1cccc(C#Cc2ccccn2)c1 640541251 FXLILEFVYYYBBV-UHFFFAOYSA-N 440.528 5.026 30 20 IKED O=C(c1cc(-c2ccccc2C(F)(F)F)on1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 643224456 MKGJHHWZHBAODX-QWRGUYRKSA-N 446.269 5.173 30 20 IKED O=C(N[C@H]1CC[C@](O)(C(F)(F)F)C1)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 646694512 GWCVMBNARMIKNA-KBXCAEBGSA-N 435.339 5.087 30 20 IKED N#C[C@H](C(=O)c1c[nH]nc1-c1ccc(F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 680986050 YKTFPJGOFBJQHD-CYBMUJFWSA-N 430.386 5.334 30 20 IKED CC(=O)N(CCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)Cc1ccccc1 726322127 QGIJTOKCVJXQSP-HXUWFJFHSA-N 437.952 5.079 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C)c([N+](=O)[O-])c2)[n+]2ccc(CC)cc2)c1 726573644 OCONKJABKYQOAN-UHFFFAOYSA-O 444.536 5.058 30 20 IKED CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)NCc1ccc(OCC#N)cc1 727674739 APTABWVEMCXIDW-UHFFFAOYSA-N 431.492 5.019 30 20 IKED C#Cc1cccc(N(C(=O)c2cccc(COc3ccc(CCC(C)=O)cc3)c2)C(C)C)c1 728246724 VSBUDKXBGBOYJD-UHFFFAOYSA-N 439.555 5.824 30 20 IKED N#CCCCOc1cccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)c1 729823964 CIAVRCVVMKVFEG-UHFFFAOYSA-N 449.757 6.252 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)[C@@H](Sc2ccccc2F)c2ccccc2)n1 730071760 CGWUGHHQZIQFLH-QRWLVFNGSA-N 440.521 5.169 30 20 IKED N#CCOc1ccc(CC(=O)N(Cc2ccsc2)c2ccc(Br)cc2)cc1 731977012 WFQAPLHFSDXVSY-UHFFFAOYSA-N 441.350 5.189 30 20 IKED COc1cc(C)c(C(=O)/C=C/c2ncc(-c3ccc(Br)cc3)[nH]2)cc1OC 732714121 MDGNFDQJMVEQQX-CMDGGOBGSA-N 427.298 5.061 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC(c3c(C)[nH]c4ccccc34)CC2)c1 733805214 OLKATXADVGATCU-NRFANRHFSA-N 430.552 5.247 30 20 IKED Cc1ccc(-n2c(SCc3cc(Cl)ccc3OCC#N)nnc2-c2ccncc2)cc1 735230295 JHVVNFHPODTEGZ-UHFFFAOYSA-N 447.951 5.486 30 20 IKED Cc1ncsc1/C=C1/CN(Cc2ccccc2Cl)C/C(=C\c2scnc2C)C1=O 742435101 SCYUHAREESZXLD-ZZDPWUPLSA-N 442.009 5.422 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)c2ccc(COc3ccccc3C#N)o2)cc1 742766402 ZZTMCTWTVPSMRL-UHFFFAOYSA-N 448.475 5.321 30 20 IKED N#CCCN(CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)Cc1ccccn1 746479248 XDLXRXSEIZSBRB-UHFFFAOYSA-N 432.138 5.050 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/CCc3cc(F)ccc3C2=O)cs1 747440535 QNQFGXKEPHHURG-PTNGSMBKSA-N 426.900 5.833 30 20 IKED CCN(C)c1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1 748442155 PPPALJYAYMEJJD-XYOKQWHBSA-N 441.503 5.458 30 20 IKED Cc1cc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccccc2)c(F)cc1F 748994902 HYJSUHJTWGTKOV-UHFFFAOYSA-O 442.898 5.409 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)ccc1OC 749389601 GHVJSAXKNUWJKL-QGZVFWFLSA-N 447.362 5.421 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N[C@H]2CCOc3c2ccc(Cl)c3Cl)c1 754482602 TVKWSPZFNKCLSZ-SFHVURJKSA-N 443.286 5.291 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCCc3ccc(OC)cc3OC)n2)cc1 754531963 ZKIUSQDRUAQDCJ-HXUWFJFHSA-N 436.533 5.035 30 20 IKED N#CCOc1cccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c1 760437497 YOHBXSFHYDBMRK-UHFFFAOYSA-N 440.330 5.062 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)c3ccc(-c4ccc(OC(F)F)cc4)s3)CCO2)c1 762293976 BLTBYJHWZSAANC-IBGZPJMESA-N 440.471 5.102 30 20 IKED CCCc1cc[n+](/C(C(=S)N[C@@H](CC)c2cccs2)=C(/O)c2ccc(C#N)cc2)cc1 762439821 OSVWHLZHIOKIAP-NRFANRHFSA-O 448.637 5.812 30 20 IKED CC(C)n1ncc2cc(S(=O)(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)ccc21 768499267 YEAHODPQPBDKHO-HSZRJFAPSA-N 430.533 5.073 30 20 IKED N#CC(CCOC(=O)c1csc(-c2ncccc2F)n1)(c1ccccc1)c1ccccc1 768655407 LDSZLKFQXJUTIM-UHFFFAOYSA-N 443.503 5.401 30 20 IKED C[C@H](N[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21)c1cccc(C#N)c1 769691501 OCLYLUFWJSENND-QCIUDXLNSA-N 433.552 5.112 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](CC(F)(F)F)c2ccccc2C)ccc1OC 770613267 XDJZMBCFGURAPP-IEBWSBKVSA-N 449.473 5.178 30 20 IKED Cc1ccc([C@H]2NC(=O)N(c3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2=O)cc1C 771819614 QNATXWVVFQWABM-FYYLOGMGSA-N 429.907 5.410 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2nc(-c3cc4ccccc4o3)cs2)c1 776145005 PCBVHNWZAOKYSW-GOSISDBHSA-N 446.532 5.237 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)c1sc2cc(C(C)C)ccc2c1Cl 784689750 NSVJWJDKBGSHRZ-UHFFFAOYSA-N 428.941 5.827 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC1CCCC1 784829441 QIZQGCWRLWXBFT-GOSISDBHSA-N 447.318 5.285 30 20 IKED C[C@@H](NC(=O)N1CCC(Oc2ccc(F)nc2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 790471575 LCFTUFLFVYHOFP-GOSISDBHSA-N 444.510 5.073 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)OCC(=O)c2ccncc2Cl)cc1Cl 792076211 XOWIZRBCWQXTJR-UHFFFAOYSA-N 427.243 5.092 30 20 IKED N#C[C@H](C(=O)[C@H](Sc1ccc(F)c(Cl)c1)c1ccccc1)c1cnc2ccccc2n1 792108624 NCZJDCGEBDCKAM-BXKMTCNYSA-N 447.922 6.132 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CC[C@@H](C(F)(F)F)[C@H]2C)c1=S 794663703 VCSHNQSAOFABGJ-CZUORRHYSA-N 446.926 5.063 30 20 IKED Cc1ccc(-c2ccc(C)c(NC(=O)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)c2)o1 797655953 DBXBZVCMGSZDFH-UHFFFAOYSA-N 430.508 5.040 30 20 IKED CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[C@H](C#N)c1nccc2ccccc12 805929427 DMDLUYGFCFMLPZ-GGAORHGYSA-N 443.547 5.703 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F 809127714 KHCMBPVSZNZXSN-GOSISDBHSA-N 447.379 5.212 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N(Cc3ccccc3O)C3CCCCC3)cc2)ccn1 810283662 WPNSGKGNUPIEJE-UHFFFAOYSA-N 442.519 5.818 30 20 IKED N#Cc1cc(N[C@H](CCc2ccccc2)c2ccccc2O)ccc1N1CCC(O)CC1 815606604 BOTKKBMHMTWUAZ-RUZDIDTESA-N 427.548 5.011 30 20 IKED N#Cc1cc(-c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)cnc1C(F)(F)F 904508423 XKVVJXCUBYDUDB-UHFFFAOYSA-N 427.317 5.015 30 20 IKED O=[N+]([O-])c1cc(C=NOCc2coc(-c3cccc(Cl)c3)n2)ccc1N1CCCC1 914571863 NRVDEXBTIIFPDA-UHFFFAOYSA-N 426.860 5.054 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1 915087412 UEAAGZYYVGVHGC-QHCPKHFHSA-N 441.918 6.222 30 20 IKED CCOc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 915104924 XJYCPPDVOGDEID-INIZCTEOSA-N 446.450 5.553 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)cc1 915351845 CKYPZUFZAUKAQU-WDYNHAJCSA-N 443.550 6.522 30 20 IKED N#CCCn1cc(/C=C/C(=O)c2cc3cc(Br)ccc3o2)c(-c2ccccc2)n1 916130591 XVWWVFJQCXZSOS-VQHVLOKHSA-N 446.304 5.869 30 20 IKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(C(C)C)cc1 916207617 ZMOTWYJGRVZNGH-NRFANRHFSA-N 439.581 5.189 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cc1csc(-c2cccc(C)c2)n1 916909902 WAVFIGLVTWZLPF-NRFANRHFSA-N 431.561 5.133 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2Cl)o1)C(=O)Nc1ccc(F)c(Cl)c1 916938180 IVFRNLUDDJDOHT-AWEZNQCLSA-N 446.265 5.068 30 20 IKED C[C@@H](OCc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997691 XTPPMIKQIGMDGS-CXAGYDPISA-N 431.344 5.898 30 20 IKED Cc1cc(/C=C/C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c(C)n1C1CCCCC1 917039540 AIXKXSINNHBWKG-SJFMBGHLSA-N 436.506 6.245 30 20 IKED COc1ccc(S[C@H](C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917044710 UFKNXMILCRBBNU-ABAIWWIYSA-N 436.480 5.681 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(Cl)cc3)n2)cc1 920138180 BEBXWKLQJJEPPO-LJQANCHMSA-N 426.925 5.508 30 20 IKED C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920141980 OHBBBNGSWXLVDD-IERDGZPVSA-N 429.545 5.623 30 20 IKED CC(C)Cn1c(-c2ccco2)nn(CN(Cc2ccc(C#N)cc2)CC(F)(F)F)c1=S 921188667 CKADHTRBXYOLFQ-UHFFFAOYSA-N 449.502 5.224 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3c(C)noc3CCC)CCC2)cc1 1789454019 KWLMJLGEEMIDHW-OAQYLSRUSA-N 435.568 5.452 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cccc(C(F)(F)F)c4)cc3)CCC2)C1 1790278404 UXMJXDQZFOZXPB-UHFFFAOYSA-N 428.454 5.419 30 20 IKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3c(F)cc(Cl)cc3Cl)cc2)CCC1 1790721266 YSJKNXWJSXNNRY-NSHDSACASA-N 441.355 5.199 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)/C(C)=C/c3cccnc3)cc2)CCC1 1791851188 SCHQHEMGDYLKTN-CZIZESTLSA-N 429.564 5.387 30 20 IKED CC(C)(C)CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc(C#N)cc1 1792482985 BONVWACGUNSMKD-BKFWDETESA-N 437.628 5.126 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccc(C)cc1)C2 1798331478 NTHMMWIQZRWJHH-KIHHCIJBSA-N 443.591 5.077 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](C)Sc3cccs3)CC2)C1 1805456936 NRVQOIZPGTUMFB-LJQANCHMSA-N 446.682 5.228 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3cccnc23)CC1 1828038350 UDJRIGUQZAQLSG-NOZRDPDXSA-N 445.607 5.237 30 20 IKED CC(C)=CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829689406 DARCBLRETQTXRT-QFIPXVFZSA-N 442.003 5.191 30 20 IKED C[C@@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)Nc1ccc(C#N)c(Cl)c1 16763977 OCNWYUYCNNCIMV-LLVKDONJSA-N 432.983 5.308 30 20 IKED C[C@@H](OC(=O)c1ccccc1Sc1ccccc1C#N)c1nnc(-c2cccs2)o1 17531162 JJFHHVPHZTWFSB-CQSZACIVSA-N 433.514 5.739 30 20 IKED C[C@H](Sc1ncnc2scc(-c3ccc(F)cc3)c12)C(=O)NC1(C#N)CCCCC1 22128984 PVWVAVZSVFNPDQ-AWEZNQCLSA-N 440.569 5.321 30 20 IKED C=CCn1c(S[C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)nnc1-c1ccc(F)cc1 22619921 XIWUWQZKZLPQGH-CYBMUJFWSA-N 441.557 5.038 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 25438166 VYSDDHUPSFRXJQ-HSZRJFAPSA-N 445.950 5.641 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)CCc3ncc(-c4ccccc4F)o3)c2)c1 31776562 ZJCAHUUOTJKNRM-UHFFFAOYSA-N 441.462 5.503 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C(=O)N1c2ccccc2C[C@H]1C)C(C)C 32785453 QJJIRARYMMNKIA-DVECYGJZSA-N 446.620 5.149 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1ccccc1[C@@H](C)CC 32788004 MJSIMEPUKXSABP-OALUTQOASA-N 434.609 5.688 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3cccc(OCCCC#N)c3)cc12 59770278 VQKJZPKHDLOFBN-UHFFFAOYSA-N 448.523 5.529 30 20 IKED CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 63307344 RJUXYZKZSHSKHD-QHCPKHFHSA-N 449.457 5.022 30 20 IKED COc1cccc(CSCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)c1 64375900 BIFJMIGHFKTKNV-UHFFFAOYSA-N 437.540 5.045 30 20 IKED COc1ccc(-c2nnc(SCc3cn4ccccc4c3C#N)n2Cc2ccco2)cc1 97012643 ILIWUBDDAPSZGZ-UHFFFAOYSA-N 441.516 5.012 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Oc1cc(C(C)C)ccc1C 107869619 HOWAJZIQGCDVDI-IBGZPJMESA-N 429.520 5.892 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 107984390 SSYNDKIBTJAJOR-UHFFFAOYSA-N 439.902 5.341 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1I 303296687 NRUAMWNEMQZVIB-GFCCVEGCSA-N 436.318 5.104 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1ccc(O)c2nc(C)ccc12 427265323 MYJQWZHNGNAMIR-UHFFFAOYSA-N 436.512 5.037 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)c1-c1ccccc1 429104470 QYRYUMYVOQZZQS-UHFFFAOYSA-N 432.487 5.055 30 20 IKED Cc1c(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)sc2ccc(C#N)cc12 431356898 DZDFXENDBMXANT-UHFFFAOYSA-N 445.466 5.189 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1(Cc2ccc(F)cc2)CCOCC1 433154026 YHOPELNRIUTIDL-KRWDZBQOSA-N 427.545 5.133 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(Cl)cc(Br)c1F 435865131 NZAFAELUVORKCR-SNVBAGLBSA-N 427.726 5.746 30 20 IKED C=CCn1c(SCC(=O)N2CCC(C)=C(C)C2)nnc1-c1ccc(Cl)cc1Cl 435933834 GUQGADFDALZICK-UHFFFAOYSA-N 437.396 5.099 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c12 436345719 NIPVURZSUHVNGW-JTHBVZDNSA-N 443.595 5.530 30 20 IKED N#CCC[C@@H](NC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1ccccc1 439382063 FTLMNZSJCHXCLW-XJFCNFDWSA-N 431.561 5.302 30 20 IKED C[C@H](Nc1cccc(COc2cccc(F)c2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 439553481 VTWZDFMDCXUWLA-SFHVURJKSA-N 435.474 5.291 30 20 IKED CCc1nc(C(C)(C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)no1 440927007 JLEXNMPXWBHFTH-UHFFFAOYSA-N 425.876 5.006 30 20 IKED Cc1ccc([C@H]2CCCN2C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)s1 441905089 IOSLJMKSXCACLU-LJQANCHMSA-N 449.507 5.162 30 20 IKED COc1cccc(C(=O)c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc2)c1 444453785 KGYACMVDNYTHDI-JOCHJYFZSA-N 438.508 5.540 30 20 IKED Cc1cc(Br)c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1Cl 445960645 FDLURPILTPIJEZ-UHFFFAOYSA-N 442.700 5.722 30 20 IKED C=CCN(C(=O)c1cnn(-c2ccncc2)c1C(F)F)c1nc(-c2ccccc2)cs1 447200629 POMMJKSIVRAIMU-UHFFFAOYSA-N 437.475 5.161 30 20 IKED N#C[C@@H]1N(C(=O)c2oc3ccccc3c2COc2ccccc2)CCC[C@@]12CCCCO2 448536812 HJOXXEOOTMSKOQ-OZXSUGGESA-N 430.504 5.079 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)CCc1nc2cc(Br)ccc2s1 463149602 VNPUBXVLGKOONQ-UHFFFAOYSA-N 444.354 5.289 30 20 IKED COc1ccc(-c2n[nH]cc2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 463395324 VJHKJGKODFWLSO-NRFANRHFSA-N 442.906 5.646 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3c[nH]nc3-c3cccc(Cl)c3)n2)cc1 464510699 LZFMYKXXQWMNGC-KRWDZBQOSA-N 429.892 5.215 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)ccc21 464951748 KOFROVPCXQYGLE-ICSRJNTNSA-N 440.469 5.548 30 20 IKED CO[C@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(Cl)c1 466348892 BOCJQSFXWSVOPB-XMMPIXPASA-N 449.938 5.494 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(-c3ccccc3)ns2)cc1 467287067 DAXMCCPZSOAPPI-UHFFFAOYSA-N 425.513 5.707 30 20 IKED CCC1(CC)CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC[S@]1=O 469465208 RRXOVTHZDORBEJ-PRAQEBQASA-N 444.000 5.150 30 20 IKED N#Cc1cccc(-c2nnc(CNc3cc(C(F)(F)F)ccc3SCC(F)F)o2)c1 471682778 MBKWKDSTOWAWLZ-UHFFFAOYSA-N 440.397 5.596 30 20 IKED N#Cc1ccc(-c2nnc(CN3CCC(OCc4ccc(Cl)c(Cl)c4)CC3)o2)cc1 472928506 BHLZVGXICPEGCK-UHFFFAOYSA-N 443.334 5.096 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 473778197 JZFFMMCLWBSCLY-QFIPXVFZSA-N 429.911 5.338 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1 474978433 YLPUOBLQSVASII-UHFFFAOYSA-N 426.307 5.398 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(OCC(F)(F)F)c(OC)c1 475556992 XXDLEYBHQIOETN-UHFFFAOYSA-N 436.474 5.810 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(OC(F)F)c4cccnc34)cc2)nc1 479258061 ZEKHVMUJVDAFNP-UHFFFAOYSA-N 432.386 5.147 30 20 IKED C=C(C)Cn1c(SCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)nnc1-c1ccco1 480108094 FNNFFEZTOLEJHL-INIZCTEOSA-N 436.537 5.172 30 20 IKED C=C[C@](C)(CC)C(=O)Nc1cc2c(cc1Br)CN(C(=O)[C@@](C)(C=C)CC)C2 480821113 VSSRQLYYCPJTGJ-YADHBBJMSA-N 433.390 5.434 30 20 IKED C[C@H](NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1c(F)cncc1F 481328320 BRTAFVBNRQWSAJ-RMLUDKJBSA-N 427.295 5.042 30 20 IKED C=CCn1c(S[C@H](C)c2nc(Cc3ccc(F)cc3)no2)nnc1-c1ccc(C)cc1 481360206 RVYKLEUMWQDPLK-MRXNPFEDSA-N 435.528 5.406 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(Cl)c(C(=O)NC4CC4)c3)c2)cc1 482979617 BTCUNKPOVOPREK-UHFFFAOYSA-N 431.879 5.148 30 20 IKED CC(C)C[C@](C)(NCc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(Br)c1 483049755 JZAJYGCHLLMKNE-QFIPXVFZSA-N 439.357 5.422 30 20 IKED C=C(C)Cn1c(SCC(=O)N(Cc2cccc(F)c2)C(C)(C)C)nnc1-c1ccco1 484288688 IHGXPGOVCUTTMV-UHFFFAOYSA-N 442.560 5.173 30 20 IKED CN(C(=O)c1cc(Br)ccc1Br)c1cc(Cl)ccc1C#N 484319825 CCQDDEHPQKWMNS-UHFFFAOYSA-N 428.511 5.013 30 20 IKED Cc1ccccc1-c1nnc(SCc2ccccc2C(C)(C)C#N)n1Cc1ccco1 488506605 ZQPBNTBZAZXPFE-UHFFFAOYSA-N 428.561 5.988 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnn(C(C)C)c2-c2ccccc2)cc1 489919543 CLSRBENSDWZZNP-UHFFFAOYSA-N 428.536 5.198 30 20 IKED N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 497514002 BIERYYDKGNIEBC-KRWDZBQOSA-N 433.817 5.078 30 20 IKED CC(C)[C@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 497616007 BHBPYYOJWZUXOL-XMMPIXPASA-N 427.504 5.145 30 20 IKED CCOCc1ccccc1CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 500928899 QMBWNTOFLCFKMR-UHFFFAOYSA-N 429.520 5.190 30 20 IKED Cc1ccccc1CN(Cc1cccnc1)C(=O)Nc1ccccc1SC[C@@H](C)C#N 503223060 CMGPNECCOJLUDE-IBGZPJMESA-N 430.577 5.876 30 20 IKED COC(=O)[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccc(C)cc1 504052357 KHABWYGZAXPTQO-QHCPKHFHSA-N 443.503 5.046 30 20 IKED N#Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc1Cl 506530188 BFLPPRLAUTUTJA-CQSZACIVSA-N 436.726 5.009 30 20 IKED O=C(NCc1cccc(OCC(F)(F)F)c1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 508780951 WWXFHKCNKUPTSG-INIZCTEOSA-N 438.343 5.260 30 20 IKED CN(CCOc1ccccc1Cl)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509904629 KELUYXMLVSTJLE-UHFFFAOYSA-N 449.938 5.528 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 510665260 KGNPIMAOOHBDOP-UHFFFAOYSA-N 434.499 6.153 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)cc(-c3ccco3)nc21 514891902 CKUURCDXMNTLFN-CQSZACIVSA-N 445.548 5.582 30 20 IKED C=CCN(C(=O)CCc1cnn(C)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 515438175 VFCWVEYIYYKXLR-UHFFFAOYSA-N 428.561 5.362 30 20 IKED COc1ccccc1COc1cccc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1C 516797020 XODKYBZKOMTTHZ-UHFFFAOYSA-N 430.479 5.264 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 518675563 GRPVVIWWQUSYOG-OXQOHEQNSA-N 441.572 5.310 30 20 IKED N#Cc1cccc(OCCCCC(=O)NC2(c3cccc(Br)c3)CCC2)c1 518904420 HKWGLUOQHDPKDD-UHFFFAOYSA-N 427.342 5.065 30 20 IKED COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 520915163 GGXLEHXBRTXZOE-MRXNPFEDSA-N 432.501 5.256 30 20 IKED N#C[C@H](C(=O)c1cccc(OC[C@H]2CCCO2)c1)c1nc(-c2c(F)cccc2F)cs1 521259264 MDYYGJBYOHKFMX-IAGOWNOFSA-N 440.471 5.136 30 20 IKED CCOc1ccc(SCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 521735026 WLWPHAYVZWHZMG-UHFFFAOYSA-N 440.512 5.841 30 20 IKED Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)CCc4ccc(C#N)cc4)cc3s2)s1 522577186 APOPDOLPWRWYBQ-UHFFFAOYSA-N 446.557 5.362 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1)C(C)C 522578069 RBAOYGYZULRBQL-UHFFFAOYSA-N 441.531 5.554 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)c3ccc(Oc4ccncc4)c(Cl)c3)n2)cc1 523684737 AUKBSUGJRXENOW-UHFFFAOYSA-N 432.892 5.775 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1Oc1ccncc1 523797241 SHXZCBRNQZZBIE-HXUWFJFHSA-N 445.931 6.449 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1nc(-c2ccsc2)oc1C 524030802 HXBQLASUAQFRCP-UHFFFAOYSA-N 429.501 5.865 30 20 IKED COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CSc2ccccc2C#N)cc1 525083312 FFVZJIFPVALCPK-QHCPKHFHSA-N 427.529 5.037 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3csc(-c4cccc5ccccc45)n3)CC2)cc1 527478991 PFTOQMUPADITSB-UHFFFAOYSA-N 439.540 5.519 30 20 IKED COCc1c(C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)sc2cccc(F)c12 531115643 HUJLNYSQFCCDHX-OAHLLOKOSA-N 438.402 5.080 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCCc1nc2cc(Cl)ccc2s1 531281036 NOHOFHIZQFECNT-CYBMUJFWSA-N 430.986 5.708 30 20 IKED C=CCn1c(SCc2nc(O)c3ccc(Cl)cc3n2)nnc1-c1cccc(Cl)c1 532628549 JGHFSTOJGAWQIF-UHFFFAOYSA-N 444.347 5.379 30 20 IKED C[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccc([S@@](C)=O)cc1 535195312 HNCPQSZGADPUFF-INCQDFKNSA-N 438.936 5.232 30 20 IKED N#CCC[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1Br)c1ccccc1 536083080 IBIOCCRIRSVHEA-OAHLLOKOSA-N 442.235 5.514 30 20 IKED CC(C)(C)c1cc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)c(C#N)s1 536973779 YXPNMBULLBZGEZ-UHFFFAOYSA-N 448.573 5.998 30 20 IKED N#Cc1cc(NC(=O)[C@H]2CC[C@H](C(=O)Nc3ccc(Cl)c(C#N)c3)CC2)ccc1Cl 537573356 QMJUFBNRZVMPAA-HDJSIYSDSA-N 441.318 5.120 30 20 IKED O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)[C@H]1CCC[C@@H](C(F)(F)F)C1 537688726 VFZCDOJPOPDHBA-DTWKUNHWSA-N 429.311 5.524 30 20 IKED N#Cc1cccc(-c2cnc(CNc3nc(-c4cccnc4)nc4sc5c(c34)CCC5)[nH]2)c1 538862314 LUERRYQVSIRGBY-UHFFFAOYSA-N 449.543 5.116 30 20 IKED N#Cc1ccc(SCc2nnc(-c3ccccc3Br)o2)cc1C(F)(F)F 542934593 PHPMJLCRKMXTGR-UHFFFAOYSA-N 440.244 5.682 30 20 IKED CC[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccccc1OCC(=O)N(C)C 543963398 UHHLTFHWTJJXDH-IBVKSMDESA-N 441.575 5.494 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1sc([C@H]2CCCOC2)nc1C 550572443 ZOWNZYZXADBDNZ-FQEVSTJZSA-N 449.551 5.512 30 20 IKED N#Cc1cc(-c2nc(C(F)(F)c3ccc(Cl)c(Cl)c3)no2)cnc1C(F)(F)F 551397473 XMYGXTOTHGOUFR-UHFFFAOYSA-N 435.139 5.469 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[C@@H](C2CCOCC2)C1 555268835 PFJCNSQSIKCFGG-GBXCKJPGSA-N 446.595 5.400 30 20 IKED Cc1ccc(NC(=O)C(=O)N[C@H](CCCC#N)c2ccccc2)cc1OCC1CCCCC1 556625808 RCEOJLHXLSABNZ-XMMPIXPASA-N 447.579 5.444 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(C)(C)c1csc(-c2ccccc2F)n1 556945527 ZXQUSKXCPAYFBM-UHFFFAOYSA-N 440.588 5.609 30 20 IKED Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1Cc1cccs1 559158871 XNIXCORLGMZNSQ-OAHLLOKOSA-N 434.594 5.083 30 20 IKED C=CCn1c(SCC(=O)c2cccc(Cl)c2Cl)nnc1-c1ccccc1OC 566314218 GQBAZJRLSSSIJC-UHFFFAOYSA-N 434.348 5.422 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(C)C[C@@H]1c1ccccc1 572744152 HZYBZWSPMCUXON-RUZDIDTESA-N 426.520 5.180 30 20 IKED Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)c1ncc(C#N)cc1C 576366790 GHWYPABBQFUPRW-UHFFFAOYSA-N 427.483 5.559 30 20 IKED COCCN(C(=O)c1oc2ccccc2c1COc1ccccc1)c1ccc(C#N)cc1 581916665 LIRNZRVZKGXQRC-UHFFFAOYSA-N 426.472 5.177 30 20 IKED CC(=O)c1ccc(Cl)c(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1 583345223 UUARLGZSMRXLBJ-UHFFFAOYSA-N 430.335 5.313 30 20 IKED CCN(Cc1c(F)cccc1F)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 586792104 HLWOWXNBJOFRCB-QWRGUYRKSA-N 432.355 5.406 30 20 IKED N#Cc1cc(NC(=O)N2CC3(CCCOC3)C2)ccc1Oc1ccc(C(F)(F)F)cc1 589000475 NOZVHUGLFTXBJU-UHFFFAOYSA-N 431.414 5.014 30 20 IKED N#CCn1c(C(=O)N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc2ccccc21 590530035 RIEXEILYMYWPLE-UHFFFAOYSA-N 427.426 5.083 30 20 IKED C[C@H](NC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1)c1ccc(C#N)cc1 603649234 SIBIGRCQTGPFIY-ZDUSSCGKSA-N 441.354 5.251 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(OCc3cccnc3)c2)cc1 604003675 RUWCLTOUSHLVPS-UHFFFAOYSA-N 449.510 5.558 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1 604331219 DRVJBQGLHJRUCN-UHFFFAOYSA-N 431.879 5.383 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[C@@H](C#N)c3nc4cccc(C)c4[nH]3)cc12 605363294 SPWLVNYMANLZDK-QGZVFWFLSA-N 445.935 5.724 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 609083020 LGZCURGPJNXABR-UWVGGRQHSA-N 445.310 5.191 30 20 IKED CCN(C(=O)C[C@H](NC(=O)c1ccc(C)cc1)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 609228296 NBSHTGREARDDEF-RLWLMLJZSA-N 439.559 5.338 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](Sc1ccccc1F)c1ccccc1 609262069 IDEJQTBUBSLVKH-XMMPIXPASA-N 434.536 5.206 30 20 IKED Cc1nc(-c2ccc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)cc2)oc1C 609298535 VFJCQZGLUDXYBV-UHFFFAOYSA-N 427.435 6.014 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl 609377993 SVCKZDACNJVDHI-CYBMUJFWSA-N 425.406 6.117 30 20 IKED COc1ccc([C@H]2CCN(C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)C2)cc1 609724221 DPTSVPYCJZUBFY-IBGZPJMESA-N 432.907 5.642 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCCc2ccc3ccccc3n2)c1 609724533 YFGMVPWPUAACEX-UHFFFAOYSA-N 427.891 5.525 30 20 IKED COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)N[C@H](C)c1cccc(C#N)c1)CCO2 610356298 OGPJHRBYPQNHAR-CLOONOSVSA-N 441.531 5.363 30 20 IKED CCCc1c(NC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)cnn1-c1cccc(C#N)c1 617621191 ZJWVZGQDHUNZEZ-UHFFFAOYSA-N 434.368 5.246 30 20 IKED CC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 642281761 PVMBJIAGSDTVFV-MRXNPFEDSA-N 430.316 5.565 30 20 IKED N#C[C@H](C(=O)c1cccc(OC[C@H]2CCCO2)c1)c1nc2cc(C(F)(F)F)ccc2s1 642281999 AXLKQDCOUKDKGH-IAGOWNOFSA-N 446.450 5.363 30 20 IKED C=C(C)Cn1c(CCCc2ccccc2)nnc1N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 670201114 IBWUZPMCUZUCEB-IRXDYDNUSA-N 446.439 5.207 30 20 IKED COc1ccc2nc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)ccc2c1 678325536 YNSWVYJYHPTIJE-AWEZNQCLSA-N 427.407 5.362 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)c1nc(-c2ccccc2)cs1 726322409 UELDQNLKGNDFBD-QGZVFWFLSA-N 445.525 5.081 30 20 IKED CCOc1ccc(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 728299624 TZSXICMOQQZDAT-KRWDZBQOSA-N 433.483 5.114 30 20 IKED CCOc1c(OC)cc(/C=C\C(=O)c2sc(-c3ccccc3F)nc2C)cc1OC 728441426 JSXAXXBWWOXASF-KHPPLWFESA-N 427.497 5.570 30 20 IKED C[C@@H](CC#N)N(C)C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 728873892 BQDVFRNXYIQKGT-HNNXBMFYSA-N 440.619 5.330 30 20 IKED Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c(C)c1 730375534 JFUVARIVTMHOCZ-GOSISDBHSA-N 446.478 5.599 30 20 IKED C[C@@H](Sc1ccc(Br)cc1)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 730417064 KEJCRPQVOYGLPF-QMTHXVAHSA-N 435.343 5.555 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1nc2cc(F)ccc2s1 730421618 MSJQULLHZDAEBG-HNNXBMFYSA-N 427.913 5.631 30 20 IKED COc1ccc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)c(Cl)c1OC 730430955 LMRMLEATYFKEJA-UHFFFAOYSA-N 443.743 5.093 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)/C=C\c1ccc(C(C)(C)C)cc1 731071603 UFSOGERBYDFDRY-RMHQSFGDSA-N 436.577 5.431 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)OCC(=O)Nc3ccc(F)cc3Cl)cc2)cc1 732377198 CYOHUDKLHDAPEP-UHFFFAOYSA-N 438.842 5.133 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1Cl 741060846 LKAUKJBOKVUHEY-XMMPIXPASA-N 442.950 5.693 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 742526711 SHLWKKXUKSZEHR-WMZHIEFXSA-N 435.568 5.199 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1F 743034819 CRJGTTVPHZEARE-UHFFFAOYSA-N 432.307 6.605 30 20 IKED C[C@H](OC(=O)C1(Cc2nc3ccccc3s2)CCCCC1)C(=O)Nc1ccccc1C#N 744594114 FTABKNSETMCGOH-KRWDZBQOSA-N 447.560 5.231 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc2)c(Cl)c1 747154489 DIMSWWVZZLTUDV-ZHZULCJRSA-N 434.879 5.770 30 20 IKED CC(=NNc1ncnc2sc(-c3ccccc3)cc12)c1nnn(-c2ccccc2)c1C 747608155 UYIIKWDYJYZDAT-UHFFFAOYSA-N 425.521 5.084 30 20 IKED Cc1cc(-c2noc([C@H](C)ON=Cc3c(C)nn(Cc4ccccc4)c3C)n2)ccc1F 748100629 WECNWVJWNMQDFL-SFHVURJKSA-N 433.487 5.157 30 20 IKED COC(=O)c1ccc(/C=C(/C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)o1 749450841 CGCNJKGXEFMROF-QGOAFFKASA-N 437.879 5.241 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(OC(C)C)cc1)[n+]1ccc(C(C)(C)C)cc1 749657894 HZWVPXFTMNKZIV-UHFFFAOYSA-O 425.618 5.436 30 20 IKED C[C@@H](C[C@@H](O)c1cccs1)NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 752277301 VRSXRJOMOHGOCY-IFXJQAMLSA-N 426.925 5.307 30 20 IKED COc1cccc([C@H](C)CC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 753397036 XKGGTKXOKBAWSN-GCJKJVERSA-N 428.488 5.329 30 20 IKED N#C[C@H](C(=O)/C=C\c1ccc2ccc(Cl)cc2n1)C(=O)Nc1ccc(F)c(Cl)c1 759209173 NVOMATBGJJWAAO-QKIRZYONSA-N 428.250 5.041 30 20 IKED CC(C)(c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1)C(F)(F)F 774051139 IALMAEMHDAZLTD-CQSZACIVSA-N 443.252 5.794 30 20 IKED CN(CCC#N)c1ccc(CN[C@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)cc1 778218173 QDOOPZJMPIFOAC-DEOSSOPVSA-N 434.584 5.551 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)Nc1ccccc1O[C@H](C)C#N 780583278 YPWLPPDODLVUQF-MRXNPFEDSA-N 443.482 5.623 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c(F)ccc(Br)c2F)cc1 782548048 ZSPDNLIVMJQHNL-INIZCTEOSA-N 427.248 5.635 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(C)c(Br)c3)n2)cc1 784498979 OFCPCPHQKDHHIA-KRWDZBQOSA-N 441.350 5.309 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)s1 786596588 OADUQNIMMBDUEJ-UHFFFAOYSA-N 449.557 5.017 30 20 IKED CC[C@H](NC(=O)[C@@H](C#N)C(=O)c1coc2c(C)cc(Br)cc12)c1ccccc1 787044124 FLXUPZLFWKWKHN-HKUYNNGSSA-N 439.309 5.094 30 20 IKED C#CCn1ccc(CN(CC)C(=O)Nc2ccc(Oc3ccc(F)cc3)c3ccncc23)n1 788596896 LCWCKIZRDXEDBT-UHFFFAOYSA-N 443.482 5.050 30 20 IKED CCN(C(C)=O)c1nc(/C=C\C(=O)c2ccc(Br)cc2C(F)(F)F)cs1 790232816 MDTVBNDQFGEAPN-ALCCZGGFSA-N 447.276 5.193 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 790625974 NJXOADWANHHXKV-UHFFFAOYSA-N 448.548 5.600 30 20 IKED C#CCN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1 796632847 OBHKLFOSEKLBEZ-UHFFFAOYSA-N 443.494 5.482 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(c2ccc(Br)cc2)CC1 800557616 WUZMYOYMLSOIST-HNNXBMFYSA-N 428.330 5.151 30 20 IKED C[C@@H](Cc1ccccc1C(F)(F)F)N(C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 805772207 GUJWAJCVJGPRPD-HOCLYGCPSA-N 431.483 5.054 30 20 IKED C#C[C@H](NC(=O)c1oc2ccccc2c1CSc1nnc(C)s1)c1ccc(F)cc1 812751593 XAUSQOCTGKVJAB-SFHVURJKSA-N 437.521 5.128 30 20 IKED CSc1ccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)s1 814784453 DVZHNICLCPXBSR-UHFFFAOYSA-N 431.395 5.118 30 20 IKED COc1ccc(-c2nc(SCc3csc(-c4cccs4)n3)nc(O)c2C#N)cc1 824959430 GZJNDRYMMCNYAE-UHFFFAOYSA-N 438.559 5.207 30 20 IKED C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc(Br)cc2)no1 904709493 UHJGSKNPCSPXTB-ZDUSSCGKSA-N 428.714 5.208 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCCn1c([N+](=O)[O-])cnc1C 916137516 BYZMFKWAALVCHH-JXMROGBWSA-N 449.507 5.090 30 20 IKED C[C@H](Oc1ccc2c(c1)CCC2)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916906141 CCPDEFQRZABIDA-MBSDFSHPSA-N 440.499 5.082 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 916914618 OWUYIQVWRCTRGK-DEOSSOPVSA-N 439.515 5.243 30 20 IKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cccc(CSc2ccc(C)cc2C)c1 916929554 AUQUNRQRODHUQQ-NRFANRHFSA-N 444.556 5.566 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(OCc2cccs2)c1 916931131 JGWXOWPWBJOVBI-KRWDZBQOSA-N 445.327 5.595 30 20 IKED Cn1c2ccccc2c2cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)sc21 916937905 HTNZZWNJXYTGEI-AWEZNQCLSA-N 425.872 5.147 30 20 IKED C=CCN1C(=O)N[C@@H](c2ccc(C)c(C)c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 917376715 NEOAWGJYFJWIOH-NRFANRHFSA-N 443.469 5.487 30 20 IKED N#C[C@H](C(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1)c1nc2ccccc2o1 917510140 RBYQWXFVYLKGCB-GCJKJVERSA-N 447.288 5.587 30 20 IKED Cn1ccnc1COc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 917517582 IZBNKIJMSRBJBQ-ZRDIBKRKSA-N 445.500 5.532 30 20 IKED COc1ccccc1[C@H](C/N=C\c1cc(Cl)cc(Cl)c1O)NC(=O)OC(C)(C)C 917559766 VIMFFHQGSJNMSL-GQJRVPCCSA-N 439.339 5.393 30 20 IKED COc1ccc(NC(=O)/C=C/c2ccccc2C#N)cc1NC(=O)c1ccc(Cl)cc1F 917787484 LDVPYAIKXOXVCK-IZZDOVSWSA-N 449.869 5.264 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCSc3nc4ccccc4s3)n2)cc1 920143416 ZNUUDGVFXHHOIE-INIZCTEOSA-N 446.582 5.650 30 20 IKED Cc1ccc(S(=O)(=O)Nc2ccc(N=Cc3cc(Br)ccc3O)cc2)cc1 920943625 XGSRQDKXYLQQQB-UHFFFAOYSA-N 445.338 5.015 30 20 IKED O=C(O)CCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O 1525640908 MKJPXPNWIWXLSY-UHFFFAOYSA-N 425.566 5.310 30 20 IKED Cc1c(C(=O)NC2(c3ccc(NC(=O)[C@H](C)S)cc3)CCC2)[nH]c2c(Cl)cccc12 1791574221 HWWUUHOMNGBRKI-AWEZNQCLSA-N 441.984 5.196 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4ncccc4c3)CCC2)cc1 1791727369 IDFALLGGNGJVPO-UHFFFAOYSA-N 425.532 5.176 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)nc3)CCC2)cc1 1791728789 IYUUNPWFVBVCHR-UHFFFAOYSA-N 443.469 5.042 30 20 IKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@H]4c4ccc(Cl)cc4)CCC3)cc2)CCC1 1792230502 VKWYKEPRVXYZGX-FCHUYYIVSA-N 447.966 5.271 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc[nH]c3cc1Cl)C2 1792572277 SBTHXXBIWZHPEO-BCDXTJNWSA-N 427.976 5.066 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Br)cc1C 1800361102 NOTLKXIXFUTOTF-REPLKXPHSA-N 447.417 5.002 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C2(C)CCCCC2)[C@@H]1c1cccnc1 1802502153 WXUOZOVWEVJLOK-FCHUYYIVSA-N 425.617 5.050 30 20 IKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)cc2C)n[nH]1 1821339712 UWZFCVWVFGEGJD-IBGZPJMESA-N 447.366 5.134 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccs2)CC1 1825779668 XHPACAGNZJAUTF-NRFANRHFSA-N 444.717 5.033 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)oc2C(F)(F)F)CC1 1825962041 BYUOEWBFLFEEFN-HNAYVOBHSA-N 440.506 5.052 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2oc3ccccc3c2C)CC1 1828128999 ONAZPEOFPYISAY-LADGPHEKSA-N 448.607 5.743 30 20 IKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)CC1 1828321628 UCMYOKDTECXXDQ-HXUWFJFHSA-N 443.012 5.201 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)cc2F)CC1 1828827619 QGMSOUGGEBVBDT-ZJSXRUAMSA-N 426.576 5.136 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)C(C)(F)F)CC1 1829068368 SBRFPSMYVDINTD-IBGZPJMESA-N 426.592 5.280 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(OC)c2C)CC1 1829071735 YKUWVVLHXUIYFP-HSZRJFAPSA-N 440.628 5.229 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ccoc3c2)CC1 1830909033 RXGWNOHFYQNKRT-RPWUZVMVSA-N 434.580 5.435 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccccc2Cl)CC1 1831369508 CCWWTGKTTBNVPI-WMZHIEFXSA-N 431.020 5.105 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cccc3c2oc2ccccc23)C1 1845736372 OBXLLWLWRBXKFM-UHFFFAOYSA-N 430.548 5.395 30 20 IKED C=CC(=O)N1CCCc2c(C(=O)N(CCCCCCCC)Cc3ccccc3)cccc21 2088604329 FCBOHJXVJOADQB-UHFFFAOYSA-N 432.608 6.155 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccc3c(c2)CCCC3)c1 10168031 HYRJBRBHJDWXOR-UHFFFAOYSA-O 443.636 6.137 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1sc2ccccc2c1Cl 22926452 KTWDXYICESJPBB-CQSZACIVSA-N 442.924 5.055 30 20 IKED C=CCn1c(-c2ccco2)nn(CN2CCC(c3nc4ccccc4s3)CC2)c1=S 28791320 IRRBMUHUDCINOD-UHFFFAOYSA-N 437.594 5.307 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccccc2)cc1 32243723 ILWAORKHFJQYQD-UHFFFAOYSA-N 447.494 5.642 30 20 IKED COc1ccc(CNCc2ccc(-c3nc4ccccc4s3)o2)cc1OCCCC#N 64613990 GMOLRDKPKZQQFM-UHFFFAOYSA-N 433.533 5.537 30 20 IKED Cc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C)n1-c1ccccn1 108696183 YMOIPEMOPRDTMK-UHFFFAOYSA-N 436.515 5.387 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)/C=C\c2nc3ccccc3s2)cc1 208678306 NEFRNUQRJGRIIU-YPKPFQOOSA-N 425.513 5.593 30 20 IKED COc1ccccc1-c1nc(C2CCN(c3ccc(C#N)cc3C(F)(F)F)CC2)no1 302700139 HQIKUPILCDPIDD-UHFFFAOYSA-N 428.414 5.020 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1csc(C(C)(C)C)n1 302935902 ICTKHIKPUNCKGK-UHFFFAOYSA-N 435.018 5.743 30 20 IKED N#CCCCOc1cccc(NCc2cc(Br)c(O)c(Br)c2)c1 322954958 MDBPJSHZXOLXNF-UHFFFAOYSA-N 440.135 5.212 30 20 IKED CCCc1ccc([C@@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C(C)C)cc1 409458878 XVEUXGRBSJPPKF-VWLOTQADSA-N 446.595 5.268 30 20 IKED CC[C@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 435656124 QXYIRDSBKUJOQT-QFIPXVFZSA-N 429.520 5.464 30 20 IKED Cc1ccccc1-c1cc(C(=O)N(C)c2cc(Cl)ccc2C#N)c2cnn(C(C)C)c2n1 436003679 IHBITVJKAOQAEU-UHFFFAOYSA-N 443.938 5.789 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@@H](Cc4ccccc4)C3)c2)cc1 437742112 FIBMGXAHBDKPCB-QHCPKHFHSA-N 425.532 5.428 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 438081235 RONNACQSACALMG-RBUKOAKNSA-N 445.588 6.497 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 438081237 RONNACQSACALMG-RTBURBONSA-N 445.588 6.497 30 20 IKED CC(C)Cc1ccc(C(=O)C2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)cc1 438840665 NTMDWUGGPCFRCB-VWLOTQADSA-N 431.580 5.534 30 20 IKED Cc1ccc(NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1OCCC(C)C 441175757 QQOWLQVYSYYNMS-KRWDZBQOSA-N 439.581 5.249 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ncoc3-c3ccccc3Cl)n2)cc1 442856449 DMZFQOCLGREGJW-MRXNPFEDSA-N 435.892 5.617 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 442874545 MNFZGUPSCKXDOB-IBGZPJMESA-N 443.919 5.319 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)c1C#N 445557286 KRABKIJMYHWOPT-IAGOWNOFSA-N 442.466 5.227 30 20 IKED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 460782650 WGSYKPNJEFQAGH-MIZPHKNDSA-N 448.615 5.266 30 20 IKED COc1ccc([C@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)c2ccccc2Cl)c(OC)c1 465650304 DQTWRDWSDFKJAX-UPCLLVRISA-N 449.938 5.379 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(N=c4cc[nH]cc4)cc3)c2)cc1 468409221 SBOQUODJGPREBE-UHFFFAOYSA-N 434.499 5.144 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)cc1Cl 468643720 SGODMYWTNGIPBU-ISKFKSNPSA-N 435.911 5.071 30 20 IKED C[C@H]1C[C@@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2cccc(Br)c21 469285469 GVNYNHZFKCCDRM-MGPUTAFESA-N 438.369 5.692 30 20 IKED COc1ccccc1CN(Cc1cccs1)C(=O)Nc1cc(C#N)ccc1OC(F)F 470591974 VYHTYXMHTFKPMU-UHFFFAOYSA-N 443.475 5.464 30 20 IKED COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)C[C@@H](CC#N)c1ccccc1 475452364 UHRGNBIKYLRUPS-XLIONFOSSA-N 427.342 5.209 30 20 IKED CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 480250624 KBHRJWQPAKHNTJ-UHFFFAOYSA-N 442.519 5.106 30 20 IKED N#C[C@@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)c1nccc2ccccc12 483188833 BMMGSEGCPIZILX-JOCHJYFZSA-N 433.442 6.186 30 20 IKED Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)Nc1sc2c(c1C#N)CCCC2 485621808 PHEJYMCFKGAXCM-UHFFFAOYSA-N 431.439 5.733 30 20 IKED C[C@@H](Sc1nc(C(F)(F)F)ccc1C#N)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 488753016 PVQHNEYBHMIAMU-MRVPVSSYSA-N 445.253 6.182 30 20 IKED C=CCn1c(SCC(=O)c2cc(OC)c(OC)cc2Cl)nnc1-c1ccccc1C 488884051 AGVRLNHIYLIFJF-UHFFFAOYSA-N 443.956 5.085 30 20 IKED COc1ccc(CNc2nnc(SCc3cc(C#N)ccc3Br)s2)cc1 492077822 DIZAVZSWKDTCMF-UHFFFAOYSA-N 447.383 5.085 30 20 IKED O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1cc(F)c(F)c(F)c1F 499241605 BLAJQDVKSVOFJJ-UHFFFAOYSA-N 448.269 5.841 30 20 IKED Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C 503015617 INRPXZGPNQJIRW-XMMPIXPASA-N 442.943 5.428 30 20 IKED Cc1c(-c2ccccc2)sc(NC(=O)Cc2ccc(C#N)cc2)c1C(=O)N1CCCCC1 504403322 KMBYJUXYEYDAAG-UHFFFAOYSA-N 443.572 5.403 30 20 IKED Cc1noc(C)c1COc1ccc(CC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1 505321200 RLWBFTWQRGXGNA-HXUWFJFHSA-N 444.318 5.101 30 20 IKED C[C@H]1CCCCN1C[C@@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 505918782 KHPIUDUZNZSLMU-PMACEKPBSA-N 435.543 5.216 30 20 IKED N#Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc1Cl 506530186 BFLPPRLAUTUTJA-AWEZNQCLSA-N 436.726 5.009 30 20 IKED C=CCN(C(=O)CCc1nc(C)no1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 506561897 KOTAARJNZFNCNL-UHFFFAOYSA-N 430.533 5.320 30 20 IKED CN(C(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2)c1ccccc1C#N 508093208 IDDQBGOCPHOSFT-UHFFFAOYSA-N 444.844 5.181 30 20 IKED Cc1cc(OCc2ccc(-c3nnc(N4CCC(C)(C#N)CC4)n3C)cc2)ccc1Cl 508102167 LERHIRIWDYZUAO-UHFFFAOYSA-N 435.959 5.153 30 20 IKED COc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(OC)c1 510052601 ATNZLPFNWIIVHJ-OAQYLSRUSA-N 435.911 5.334 30 20 IKED N#C[C@H](NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1ccc(Br)cc1 510063059 NZKQZMAJGUYOTG-SFHVURJKSA-N 442.700 5.284 30 20 IKED COc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc(OC)c1C(C)C 510315188 ZALSKDHCKBTVCR-UHFFFAOYSA-N 443.503 5.203 30 20 IKED Cc1nc(CSc2ccccc2C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cs1 511691843 NSKUBQOLZTXAGM-UHFFFAOYSA-N 449.536 5.193 30 20 IKED N#C[C@H](C(=O)c1sc(-c2ccccc2)nc1-c1ccccc1)c1ccc(C(F)(F)F)cn1 513157096 YNKBENSJUKBHGK-SFHVURJKSA-N 449.457 6.381 30 20 IKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(COc2ccccc2C#N)c1 513448609 SIBOCGJPNSFEFY-KRWDZBQOSA-N 427.529 5.580 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCCC4)c3c(C)noc3n2)c(C)o1 514337908 YCQKIOGUFDLQIZ-UHFFFAOYSA-N 432.505 5.472 30 20 IKED C=CCN(C(=O)C(C)(C)Oc1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 515163206 LACHSTOGMCMYRS-UHFFFAOYSA-N 441.484 5.234 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1oc2c(ccc3ccccc32)c1C 515195366 AOGFKXRJHGFTTI-UHFFFAOYSA-N 433.467 6.514 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)CCc3nc4ccccc4s3)c2)cc1 515576478 CPHTYGIUAXIAEZ-UHFFFAOYSA-N 427.529 5.513 30 20 IKED COCCOc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 516264259 KAVWVRRBSSHAMW-KRWDZBQOSA-N 447.343 5.632 30 20 IKED Cc1nc(COc2ccccc2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cs1 517843006 KQFUTPWCENANDJ-UHFFFAOYSA-N 441.512 5.947 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H]2CC[C@H](c3ccccc3)O2)cc1 520454585 FSKNPQQVWCVTHC-AOYPEHQESA-N 441.531 5.373 30 20 IKED COc1ccc(CN(Cc2ccccc2)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 520855633 VLQGHDVFZLBJRR-FQEVSTJZSA-N 445.588 6.181 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](COc1ccccc1)c1ccccc1 520941012 BHRSKQKYGDDZJU-XXBNENTESA-N 431.561 6.023 30 20 IKED COc1cccc(NC(=O)CSCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)c1 522628635 VMZMDYCQBMXSES-UHFFFAOYSA-N 448.544 5.026 30 20 IKED CCO[C@H](C)c1nc(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cs1 522667170 VCKHFDUCRNHGDH-CQSZACIVSA-N 441.940 5.739 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)c3cccc(-n4nccc4C(F)(F)F)c3)c2C#N)C1 522840787 PJOALRKLUAVGQC-GFCCVEGCSA-N 430.455 5.201 30 20 IKED COc1ccc(SCCC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1OC 524820150 JTLCGHLBIBNXCN-UHFFFAOYSA-N 448.544 5.275 30 20 IKED C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccccc1C(F)(F)F 525224433 GNCKKHGJCWAKQX-ZDUSSCGKSA-N 430.455 5.507 30 20 IKED C[C@H](Sc1ccc(C#N)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 533177069 PQDHOODDMFLRLE-VIFPVBQESA-N 429.807 5.258 30 20 IKED COc1ccccc1[C@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccccn1 534838861 HDWFNDAINWGDKK-MHZLTWQESA-N 449.510 5.468 30 20 IKED CC(C)(C)c1cc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c(C#N)s1 535254863 OYRDKMHDUIJTPP-UHFFFAOYSA-N 445.588 5.561 30 20 IKED C=C[C@@H](CC(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC)c1ccccc1 535371204 MXUHFKUAJYBMER-SFHVURJKSA-N 430.504 5.255 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2Cn2cnc3ccccc32)cc1 535967233 MKVWPMZTUYOLNW-OAQYLSRUSA-N 437.503 5.397 30 20 IKED CCc1csc(-n2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cn2)n1 536494704 SYFJBSZAJKVYQE-INIZCTEOSA-N 439.953 5.158 30 20 IKED O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1c(F)c(F)cc(F)c1F 537690540 YLPPFDNAZJKFET-UHFFFAOYSA-N 427.226 5.026 30 20 IKED COc1cc(CN[C@@H](C)c2ccc(-c3cccnc3)cc2)ccc1OCc1cccc(C#N)c1 540434713 RUKSIZRHDLVREY-NRFANRHFSA-N 449.554 6.059 30 20 IKED C[C@H](NCc1ccccc1C(C)(C)C#N)c1nc(-c2ccc(Br)cc2)no1 541685992 VMNAMAZWAHFXBX-AWEZNQCLSA-N 425.330 5.151 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F 542422651 WAGMPIHXAMPDBP-HXUWFJFHSA-N 447.457 5.361 30 20 IKED COC(=O)c1ccc(-c2nc(CN[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)co2)cc1 542945269 NZVSTZVNCVFECZ-SFHVURJKSA-N 437.499 5.518 30 20 IKED C=CCn1c(SCc2ccc(Br)cc2C#N)nnc1-c1ccccc1OC 553718288 UZTNHIRDSRQPLQ-UHFFFAOYSA-N 441.354 5.066 30 20 IKED N#C[C@H](C(=O)c1cc(F)c(Br)c(Cl)c1)c1nc(-c2ccncc2)cs1 560544282 OVYMWPXQBPGFEU-LLVKDONJSA-N 436.693 5.250 30 20 IKED CCN(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@H](c1ccc(Cl)cc1)c1cccnc1 563594101 PVKWUEWYWHWFNV-XMMPIXPASA-N 442.906 5.513 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)c1cnn(CCC(F)(F)F)c1 569029761 BEFCDRGCRWMQLH-UHFFFAOYSA-N 432.833 5.208 30 20 IKED CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 570640617 SYAFAGQLCUVBNT-RUZDIDTESA-N 428.536 5.732 30 20 IKED Cc1cc(-c2ncco2)ccc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 571690261 VVLMZZRTUGYUMV-UHFFFAOYSA-N 425.513 6.066 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NCc3ccc(OCC(F)(F)F)cc3)cc2)ccn1 573371824 LBKIJDMFPKBTMF-UHFFFAOYSA-N 442.397 5.008 30 20 IKED N#CCCN(C(=O)CSc1ncc(-c2ccc(Cl)cc2)o1)c1cccc(Cl)c1 589975344 RAJTUZFBYFSHJV-UHFFFAOYSA-N 432.332 5.687 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H]3CCCO[C@@H]3c3ccccc3)cn2)c1 604428853 HRQLAHSNBRGCSI-HYBUGGRVSA-N 428.492 5.035 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N(Cc3ccc(O)cc3)Cc3ccco3)s2)cc1 609042764 PFGOUNLNMBWZFF-UHFFFAOYSA-N 444.516 5.138 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](Nc2ccccc2)C1 609208063 UFMJLEYGZSJFBD-QHCPKHFHSA-N 426.520 5.164 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C 609355087 KNKVTXAZHVJIEN-IBGZPJMESA-N 448.592 5.218 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 609404857 VBNZVTDMUDCVMZ-YCRPNKLZSA-N 441.984 5.188 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1cccc2ccccc12 609438756 SDMGGBVPCHKUDK-FDDCHVKYSA-N 443.572 5.536 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 609682796 UCVNJWDVFKHHKU-WBVHZDCISA-N 448.514 5.500 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c1C 609795448 YFBQEOKIGCYJOR-CQSZACIVSA-N 429.307 5.074 30 20 IKED C[C@@H](c1ccc(C#N)cc1)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 609823618 XLCSBMYZZYPMBP-HFZDXXHNSA-N 430.596 5.808 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCSc1ccc2c(c1)OCCO2 609968812 IIJZZWFNRMVODQ-UHFFFAOYSA-N 446.528 5.551 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC4(CC3)OCc3ccccc34)c2)cc1 610743734 PNOGUDXEZGSEGI-UHFFFAOYSA-N 425.488 5.404 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@H]3c3cccc(F)c3)cc2Cl)c1 611049099 SAJNFFWDAIJCGE-QFIPXVFZSA-N 435.886 5.909 30 20 IKED N#C[C@@H](C(=O)c1ccccc1C(=O)c1cccs1)c1nc(-c2ccc(Cl)cc2)cs1 613319335 COXYGXQMAMDJAW-SFHVURJKSA-N 448.956 6.246 30 20 IKED C[S@@](=O)c1cccc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c1 613713537 AJGIWCHTFGQAGF-WJOKGBTCSA-N 444.434 5.359 30 20 IKED C[C@@H](NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2n1C(F)F 670157867 PIQOGXQOJOIFLJ-SNVBAGLBSA-N 437.334 6.320 30 20 IKED CCc1sc2nc(SC[C@H](C#N)CCC#N)n(Cc3ccc(C)cc3)c(=O)c2c1C 726796386 WWPAWVBVLNQTCV-SFHVURJKSA-N 436.606 5.221 30 20 IKED CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 727133291 KYWPKAIMTJKZNT-ZEQRLZLVSA-N 441.531 5.547 30 20 IKED C=C(C)COc1cccc(NC(=O)c2cc(OC)c(OC)cc2NC(=O)c2ccccc2)c1 727401157 IAFYGKMZUWMCHX-UHFFFAOYSA-N 446.503 5.163 30 20 IKED Cc1cc(C)c(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(Cl)c1 728063164 YBVBDBIPPGAGEK-IBGZPJMESA-N 447.966 6.155 30 20 IKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2csc(-c3cccs3)n2)cc1 728426147 VVPHEHULPZXIPJ-UHFFFAOYSA-N 441.607 5.336 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2csc(-c3ccc4c(c3)OCO4)n2)S1 728437801 IUYJOBPMDKHLIU-NVMNQCDNSA-N 435.530 5.047 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCOc2ccccc2C(F)(F)F)cc1 730124776 FKMFQDFZIQXAND-HXUWFJFHSA-N 439.437 5.561 30 20 IKED N#Cc1c(Cl)nsc1N1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 731481711 ZZXCCQHEXUWWEM-UHFFFAOYSA-N 427.892 5.014 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)O[C@H](c1cncc(F)c1)C1CCCCC1 731778089 XDWBZYVRLJOEPB-DEOSSOPVSA-N 426.488 5.125 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](CC(F)(F)F)c1ccc(Br)cc1 731995414 ZRLWIPNUMFIIML-PXAZEXFGSA-N 442.231 5.325 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2cccc(C(F)(F)F)c2)C(C)C)c1 733852293 UUVZWGZSJRKNBD-FQEVSTJZSA-N 433.474 5.507 30 20 IKED Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cccc(COc3ccccc3C#N)c2)c(C)c1 734200738 CDRPZHVGEFAEJD-FQEVSTJZSA-N 442.515 5.247 30 20 IKED CC(C)OC(=O)NCc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 735020547 YVEOMZQSZWGCML-UHFFFAOYSA-N 443.503 5.024 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=S)Nc1ccc(OC(F)F)c(Cl)c1 735624249 STDURXQMKZFHLO-UHFFFAOYSA-N 443.906 6.217 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)Cc3cccc(OCc4ccc(Cl)cc4)c3)[nH]c12 735793640 WTBJGNPXGUJJAM-OAQYLSRUSA-N 429.907 5.523 30 20 IKED C=C(C)COc1cccc(NC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)c1 737832357 OFPPEPKQKVGRGU-XMMPIXPASA-N 430.504 5.248 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NC1CCN(c2ccccc2C#N)CC1 740745703 JZJHCIRUFATCDB-UHFFFAOYSA-N 442.997 5.104 30 20 IKED C#CCN(C(=O)[C@H]1CCSc2ccccc21)[C@@H]1CCOc2ccc(Br)cc21 741927186 CXBKGZYPIXAYBZ-PKOBYXMFSA-N 442.378 5.014 30 20 IKED N#Cc1ccccc1N1CCC(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)CC1 742193324 GJGJFJHNHZZYDG-LEWJYISDSA-N 442.588 5.003 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN(CCc2ccc(C)cc2)Cc2ccco2)c1=S 743385286 KONQAODLPWDRSN-UHFFFAOYSA-N 445.592 5.266 30 20 IKED Cc1ccc(Br)cc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 744026315 VCUWCRDGZXAECJ-OAHLLOKOSA-N 439.281 5.033 30 20 IKED CCCCn1nc(C)c(C=Nn2c(S)nnc2COc2ccc(C(C)C)cc2)c1Cl 744807334 XSOXSLBAZCERNG-UHFFFAOYSA-N 447.008 5.110 30 20 IKED CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)NCc1cc(C#N)ccc1F 745891030 HEHWZYASBCTYDY-UHFFFAOYSA-N 425.504 5.685 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1 749025663 KPMMFEMXGKIGLF-QFIPXVFZSA-N 425.513 5.233 30 20 IKED C=CCC[C@H](NC(=O)NCc1cccnc1-n1ccnc1C)c1ccc(C(F)(F)F)cc1 749792417 QNTARQMLRYYEHB-FQEVSTJZSA-N 443.473 5.101 30 20 IKED CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)Nc1ccccc1S[C@@H](C)CC#N 751549214 VLGZZFSQXOBATC-UWJYYQICSA-N 429.561 5.443 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C34C[C@@H]5C[C@H](C3)CC(C(F)(F)F)(C5)C4)n2)cc1 751827475 SQDQMTATMHFPMZ-FGAADINMSA-N 444.522 6.444 30 20 IKED N#Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(F)(F)F)c(F)c2)SC1=S 753996975 ZNAJJUKVOMZKJF-PXNMLYILSA-N 438.427 5.044 30 20 IKED N#CCOc1cccc(CC(=O)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c1 760376001 DWEXVJWMSWBYCK-UHFFFAOYSA-N 428.275 5.264 30 20 IKED CC[C@@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(O[C@@H](C)C#N)cc1 768179394 AWSDBGPYQYBFFB-SJORKVTESA-N 433.474 5.235 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1sc(C(C)(C)c2ccccc2)nc1C 770098159 CLMPZFUONWWVRA-GOSISDBHSA-N 447.560 5.137 30 20 IKED O=C(/C=C\c1ccc(F)cc1C(F)(F)F)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 771858698 KACLIRHSPLRAIK-YWEYNIOJSA-N 440.336 5.077 30 20 IKED CCN(CCC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1)CC(C)C 774023930 QZMPPPAWRBFGED-HHHXNRCGSA-N 446.639 5.954 30 20 IKED CC(C)(C)OC(=O)N1CCC([C@H](NCc2ccc(C#N)cc2F)c2ccc(F)cc2)CC1 782760352 LMCSBIIBLMYWNA-HSZRJFAPSA-N 441.522 5.314 30 20 IKED CCn1cc(C(=O)[C@@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c2ccccc21 787050347 CROXJIPBCOOMCF-CXAGYDPISA-N 428.319 5.168 30 20 IKED CCOC(=O)Nc1ccc(Br)cc1NC(=O)C[C@@H](CC#N)c1ccccc1 793746436 FTHUFFSTSNJIEH-OAHLLOKOSA-N 430.302 5.044 30 20 IKED Cc1nc(SC(F)F)sc1CC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F 793799208 JWHDSTJMAXLNNB-GFCCVEGCSA-N 432.386 5.007 30 20 IKED O=C(Nc1cccnc1)/C(=C/c1csc(-c2ccc(F)cc2)n1)C(=O)c1ccccc1 797162707 AJIXIIGGRDJUJH-FYJGNVAPSA-N 429.476 5.249 30 20 IKED Cc1sc(Br)c(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)c1C 799543689 STZMNPDJZONDBY-UHFFFAOYSA-N 445.338 5.036 30 20 IKED Cc1nn(C)c2sc(C(=O)/C=C\c3cnn(Cc4ccc(C(F)(F)F)cc4)c3)cc12 806577135 NKOBFZDXHHHLBB-YVMONPNESA-N 430.455 5.103 30 20 IKED C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(N2CCCCC2=O)cc1 810183613 BLCZPTRVUIKSNF-MSOLQXFVSA-N 436.581 5.338 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(Br)c(CC)s1 815907956 OYOGGGOXESDQPF-CQSZACIVSA-N 433.371 5.159 30 20 IKED Cc1cc(C#N)cnc1C(=O)O[C@@H](c1c(F)cncc1Br)C1CCCCC1 815945976 ZAGYSICOZICQNA-LJQANCHMSA-N 432.293 5.037 30 20 IKED C[C@H](OC(=O)CC(c1ccccc1)c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 825027197 VUZHSYPMLJTGKT-KRWDZBQOSA-N 444.556 5.201 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 915200052 UFOZDNYMQZRXRU-SVBPBHIXSA-N 445.522 5.452 30 20 IKED Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915352363 KKRIVYKRWZTVEL-AREMUKBSSA-N 449.558 5.525 30 20 IKED Cc1cc(C)cc(OCCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 916906975 GIVAIHJWJXOYLJ-JOCHJYFZSA-N 428.488 5.212 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cc1 916953286 BKGZVKMLQJKKJB-BTYIYWSLSA-N 434.927 5.309 30 20 IKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(Nc2ccc(OC)cc2)sc1=S 917458231 WYZYEQNOSQNNGH-UHFFFAOYSA-N 425.583 5.168 30 20 IKED O=C(/C=C/c1csc(COc2ccc(Cl)cc2)n1)c1sccc1Br 918712774 MYTUSIRNNQXAFS-ZZXKWVIFSA-N 440.771 6.096 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1ccc2ccccc2c1)c1nc(-c2c(F)cccc2F)cs1 920803862 FKAPJKGQIFOSNC-SFHVURJKSA-N 446.478 6.081 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 1585609878 JWJTXSFOFYQKJS-UYAOXDASSA-N 443.547 5.226 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc4ncccc4c3)cc2)CCC1 1786558210 VPFFRZWJRVQVKB-IBGZPJMESA-N 427.548 5.124 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](F)c4ccccc4)CCC3)cc2)c1 1790255832 SYQNZZDSPFPGNG-QHCPKHFHSA-N 427.479 5.017 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(F)(F)F)ccn3)CCC2)cc1 1791249663 XKVJKHBLBPQCQU-HNNXBMFYSA-N 431.458 5.060 30 20 IKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2)[C@@H](C)CC)[C@H]1c1cccnc1 1806455000 ZWQAWBVRXDHVOR-QFMIYWLSSA-N 447.623 5.130 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(C)cc2)[C@H]1c1cccnc1 1810502304 GWXVFCFZMKSOHP-TUSQITKMSA-N 447.623 5.192 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)ccc2Cl)n[nH]1 1821123692 BRGBOCIJTLIVKM-OXQOHEQNSA-N 444.938 5.277 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)C1 1823700153 HFZKWXLZYSXDBW-WXFUMESZSA-N 441.015 5.029 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(C(C)(C)C)c2)CC1 1825437272 SCFBUMCSBMPUQR-QHCPKHFHSA-N 439.644 5.314 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2C2CC2)CC1 1828829686 LDFQCTUXWATCFS-JYFHCDHNSA-N 434.624 5.566 30 20 IKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3CCCCC3)CC2)c(Cl)c1 1830720292 GYULCNGEVHPZIF-QHCPKHFHSA-N 442.003 5.025 30 20 IKED C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)Nc1ccccc1C#N 8755539 CMFCCWJGLDPQSK-QGZVFWFLSA-N 425.513 6.000 30 20 IKED C=CCn1c(SCC(=O)N(CC)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 9826278 QREIOSNSRXLMSG-UHFFFAOYSA-N 447.391 5.583 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccccc2)c1 10179245 GVNMREKWPMGIFB-UHFFFAOYSA-O 430.380 5.949 30 20 IKED COc1ccc(-c2nnc(SCc3cccc(C#N)c3)n2C2CCCCC2)cc1OC 21465057 IHNGAHCNDUPJEW-UHFFFAOYSA-N 434.565 5.631 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(OC)cc2)cc1 22731272 HHGFGVTYOOXAGS-UHFFFAOYSA-O 431.581 5.085 30 20 IKED COc1cc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccncc2)ccc1SC 60245366 LNYAFKCOCGGPMX-CSKARUKUSA-N 427.529 5.561 30 20 IKED CCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ccc(-c3nc4ccccc4s3)o2)cc1 111216895 NDFXKZBWOLBTNL-ACCUITESSA-N 438.530 5.214 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(CC(C)C)cc2)cs1)c1ccc(F)cc1F 208896646 LKUFYGPNHOQRFX-LUAWRHEFSA-N 440.515 6.201 30 20 IKED C=CCn1c(SCc2cc(-c3ccc(Cl)cc3)no2)nnc1-c1ccccc1OC 248186445 HVZIJYDUXUSURM-UHFFFAOYSA-N 438.940 5.740 30 20 IKED N#Cc1c(Cl)nsc1Sc1nnc(COc2ccccc2F)n1-c1ccccc1 301927461 KFNMLRRQJFGVKV-UHFFFAOYSA-N 443.916 5.118 30 20 IKED CC(C)c1c(C(=O)Nc2ccc(C#N)cc2Cl)cnn1-c1ccc(C(F)(F)F)cn1 430351723 GIUXQGIGYVNLSA-UHFFFAOYSA-N 433.821 5.187 30 20 IKED N#CCCC[C@H](NC(=O)N[C@@H]1CCOc2c(Br)cccc21)c1ccccc1 431312350 IVPMOBRKHWYOMA-RBUKOAKNSA-N 428.330 5.007 30 20 IKED C=CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 432360073 VFTGODUUCUOPLB-UHFFFAOYSA-N 444.310 5.314 30 20 IKED C[C@@H](C#N)C(=O)Nc1ccccc1CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 435362315 BPYFVKPTBLCWSW-SFHVURJKSA-N 432.527 6.122 30 20 IKED C=CCC[C@H](NC(=O)N(CCC)Cc1nc(O)c2ccc(Cl)cc2n1)c1ccccc1 435762597 TZIPMWRTMFYJFA-FQEVSTJZSA-N 438.959 5.618 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](C)Oc1ccc(Br)cc1 438045567 UGZHTVYZLVAVNP-CABCVRRESA-N 448.386 5.432 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)cc1F 438650359 PMVZSJHGCDULSC-NBGIEHNGSA-N 445.494 5.779 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c(C)c1 438845100 ZEYQWBTWSHVOFC-RDJZCZTQSA-N 441.622 5.715 30 20 IKED C[C@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)NCCc1c[nH]c2ccccc12 439660824 KHJUDTRECMSQOW-KRWDZBQOSA-N 442.494 5.130 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C(=O)NCC(C)(C)C)cc3)n2)cc1 442672020 HRROPVLEAZCGCZ-FQEVSTJZSA-N 431.561 5.385 30 20 IKED CN(CC1(c2ccccc2)CC1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 444826677 OFINCYRCSIGTEH-UHFFFAOYSA-N 425.532 5.527 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccn(Cc2ccccc2)c1=O 446515983 RUCJLWMNUIRVLC-UHFFFAOYSA-N 437.524 5.172 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccccc1CCC(F)(F)F 446516882 AJLJSPHVODNMBI-UHFFFAOYSA-N 430.879 5.050 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H]1c1csc(C)n1 460375485 POKFEJBQZWRDTJ-GHTZIAJQSA-N 437.613 5.717 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 460377314 XUQXGNZQHNUFNK-DQEYMECFSA-N 439.563 5.140 30 20 IKED C=C(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H]1c1ccc(COC)o1 460786949 NTPHPVWIVOCGMO-HSZRJFAPSA-N 443.551 5.459 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(CC(F)(F)F)CC1 460960889 RLDHGUDTZFTDMY-OAHLLOKOSA-N 426.458 5.302 30 20 IKED CCCNc1ccc(C#N)cc1NC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1 461672311 IJABUYGCLHJTJM-UHFFFAOYSA-N 437.503 5.658 30 20 IKED N#Cc1ccc(F)c(CNC(=O)c2oc3ccccc3c2CSc2ccccc2F)c1 464044725 BGZAURRBJRWBOR-UHFFFAOYSA-N 434.467 5.805 30 20 IKED CCSc1cccc(Br)c1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 464712477 QVLIPOGZGFNQPE-CQSZACIVSA-N 448.361 5.037 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3coc(-c4ccccc4)n3)cc2Cl)cc1 466055586 GYEABOMPNGAUDI-UHFFFAOYSA-N 444.878 5.981 30 20 IKED CCC(=O)c1ccc(Cl)c(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1 471426106 WQECGOQTRLOIRA-UHFFFAOYSA-N 434.927 5.579 30 20 IKED N#CCC[C@H](NC(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1)c1ccccc1 473735399 REJWPCJNLFYFRJ-GMAHTHKFSA-N 431.515 5.497 30 20 IKED CC(C)Oc1cc(Br)cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c1 473929256 SWSTUYSRKMRFFH-QGZVFWFLSA-N 442.338 5.245 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 475575089 QAMZASQDDLXABR-NRFANRHFSA-N 443.385 5.906 30 20 IKED CCN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@@H](c1cccnc1)c1csc2ccccc12 475901939 SUQIDXZFFFVLFK-ZBLYBZFDSA-N 439.584 6.322 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 476118477 CQSLLJOCHJFQDT-KRWDZBQOSA-N 426.944 5.192 30 20 IKED C=CCn1c(SCc2csc(-c3ccsc3)n2)nnc1-c1cccc(OC)c1 481389613 JFHLPMXMWKAIGP-UHFFFAOYSA-N 426.592 5.617 30 20 IKED C[C@H]1CN(Cc2ccccc2NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](C)O1 482836075 CGARPIVHSAGZEZ-PMACEKPBSA-N 441.531 5.212 30 20 IKED Cc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1NC(=O)c1ccco1 487258988 HJSZJETZJAHNJV-UHFFFAOYSA-N 442.500 5.012 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(F)cc3Cl)o2)cc1 489805334 OLNYPWOMZWDEOH-LBPRGKRZSA-N 433.892 5.213 30 20 IKED C[C@H](NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12 497381617 FVHWZDYKFKORHO-KRWDZBQOSA-N 439.475 5.016 30 20 IKED O=C(Nc1cccc(Cl)c1OCC(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 497545516 JWKBAOOKODYPFS-UHFFFAOYSA-N 440.718 5.333 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC(OC4CCCCC4)CC3)c2)c1 498019328 WZHYHPNJTJKOJE-UHFFFAOYSA-N 446.551 5.156 30 20 IKED Cc1nc([C@@H]2CCCOC2)sc1C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 498948988 SHYSIEOCXWMKDN-KSFYIVLOSA-N 431.561 5.375 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1sc(-c2ccccn2)nc1C 500116903 ZOKRCHWRJKXRBY-UHFFFAOYSA-N 446.345 5.244 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(COCC2CC2)c1 502584060 GXMSWLRZARJDSQ-UHFFFAOYSA-N 447.348 5.735 30 20 IKED N#C[C@H](C(=O)c1ccc2c(c1)nc(O)n2C1CCCC1)c1nc2cc(Cl)ccc2s1 503421775 OICPABVASXKKOF-OAHLLOKOSA-N 436.924 5.610 30 20 IKED COc1cc([C@@H](C#N)NC(=O)C2(c3ccc(C(C)C)cc3)CCCC2)cc(OC)c1OC 505496553 YIYPLDXSEZGBGL-OAQYLSRUSA-N 436.552 5.029 30 20 IKED CCOc1ccc(Oc2cc(CNC(=O)Nc3cc(C#N)ccc3OC(C)C)ccn2)cc1 505943415 NPKRCLWILGCPFY-UHFFFAOYSA-N 446.507 5.253 30 20 IKED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cc(-c4ccccc4Cl)nc4ccccc34)nc12 506000767 CUGUBNZCOZGECW-SFHVURJKSA-N 437.890 5.625 30 20 IKED Cc1cc(Br)cc(C)c1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 509575450 PBXWKDNLVKMCID-UHFFFAOYSA-N 428.330 5.013 30 20 IKED COc1ccc([C@H](C)N(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 509901339 VTENUGGFGWYFDV-IBGZPJMESA-N 429.520 5.565 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 510675247 OQYOAHQBYAJYPE-JOCHJYFZSA-N 441.487 5.491 30 20 IKED C[C@H]1CN(c2ccccc2NC(=O)c2cccc(COc3ccccc3C#N)c2)C[C@H](C)O1 513504649 FQMRNBYOJLJPIT-PMACEKPBSA-N 441.531 5.003 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 515058033 KOSODWAYQVFPFZ-SJORKVTESA-N 441.000 5.066 30 20 IKED COCCOc1ccccc1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 516079787 OPQYZEBXBLAZTD-QFIPXVFZSA-N 449.938 5.342 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1nc(-c2cccs2)no1 517450789 OKIKGJGPJHWNKV-UONOGXRCSA-N 444.607 5.483 30 20 IKED CCN(C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)[C@H](C)c1ccc(C#N)cc1 517655302 MPSFXHNAEDPAOS-OAHLLOKOSA-N 437.952 5.749 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 517909533 JTTKXBKLMHALBC-QFIPXVFZSA-N 448.567 5.818 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(COc3ccc4ccccc4c3)o2)n1 517926740 ZJAGJIPXQGDNIJ-LJQANCHMSA-N 446.484 5.135 30 20 IKED COC(=O)c1cccc(C#Cc2cccc(NC(=O)N(C)[C@H](C)c3sc(C)nc3C)c2)c1 519343007 TWEQKMBDVCQIRD-QGZVFWFLSA-N 447.560 5.171 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 519432818 AZKDMTCODZVOOR-SBUREZEXSA-N 436.964 6.351 30 20 IKED CC(C)[C@@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)N1CCc2ccccc2C1 520195590 DZNUTCANYGLXLU-WMZHIEFXSA-N 436.625 5.285 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCc2nc3ccccc3[nH]2)cc1Cl 520588922 CDPXRVVJSYLOMA-HXUWFJFHSA-N 443.938 5.626 30 20 IKED C[C@@H]1CN(c2ccccc2NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@@H](C)O1 521089276 HEEWKSLRSSPYPF-WOJBJXKFSA-N 441.531 5.411 30 20 IKED C=CCN(C(=O)COC1CCOCC1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 522684041 LCCODTBBWWOTAH-UHFFFAOYSA-N 434.561 5.192 30 20 IKED C=CCN(C(=O)c1cc(C)c(-c2cccc(Cl)c2)s1)c1nc(C(=O)OCC)cs1 523272720 BMCKJDIFBJVMRH-UHFFFAOYSA-N 446.981 5.843 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)c1ccc(F)cc1Cl 524113939 JJQDDNDFUDETNG-UHFFFAOYSA-N 430.888 5.039 30 20 IKED CCOc1ccc2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)[nH]c2c1 524406161 KBXMOLUFTZUIAP-UHFFFAOYSA-N 425.488 5.578 30 20 IKED COc1cc(C(=O)Nc2cc(CC#N)ccn2)ccc1OCc1ccc(Cl)cc1Cl 532180466 WRLUQXLYTHXVIC-UHFFFAOYSA-N 442.302 5.294 30 20 IKED CC(=O)N(Cc1ccc(NCc2cccc(OCc3cccc(C#N)c3)c2)cc1)C1CC1 533220140 SCXRFXQBBCXMJX-UHFFFAOYSA-N 425.532 5.260 30 20 IKED N#CCC[C@H](NC(=O)Nc1nnc(SCc2ccc(F)cc2)s1)c1ccccc1 533499744 IHZDDPKOYJNBEV-KRWDZBQOSA-N 427.530 5.136 30 20 IKED C=CCn1c(SCc2ncc(-c3ccccc3C)o2)nnc1[C@H]1COc2ccccc2O1 536019903 YEULDRRJEVLIAK-OAQYLSRUSA-N 446.532 5.232 30 20 IKED Cc1ccc(-c2csc(N(C(=O)[C@H](C)n3cnc(C#N)n3)c3cc(C)ccc3C)n2)cc1 537303792 QQXWNPLLOFISGH-SFHVURJKSA-N 442.548 5.124 30 20 IKED Cc1cccc(COc2c(C)cc(CN(C)C(=O)Nc3cc(C)n(CCC#N)n3)cc2C)c1 539715871 AHUHQQJDSZFPAH-UHFFFAOYSA-N 445.567 5.273 30 20 IKED N#CC1(c2ccc(C(=O)NCc3ccccc3-c3ccc(Cn4ccnc4)cc3)cc2)CC1 540720219 SASKFKCRUBWOFY-UHFFFAOYSA-N 432.527 5.084 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 540824096 IZJUECMCBATCRW-UHFFFAOYSA-N 429.436 5.018 30 20 IKED Cc1ccnc(OC2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)c1 541065992 XCNFMBVUBZLADK-UHFFFAOYSA-N 442.519 5.438 30 20 IKED COc1ccc(-n2c(SCc3ccc(CC#N)cc3)nnc2-c2ccccc2OC)cc1 541283800 RMXFEENVZHGFEB-UHFFFAOYSA-N 442.544 5.310 30 20 IKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)c3ccccc3n2)cc1OC 541875554 GDSAUHTVOZGYRH-LJQANCHMSA-N 448.482 5.285 30 20 IKED CN(C(=O)c1ccccc1Oc1ccccc1C#N)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 542559124 JZVJHTWBYUGBPE-BWKNWUBXSA-N 430.479 5.482 30 20 IKED CCC(C)(C)OCc1ccccc1NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 542564204 YHRSYAGNLSCGQG-UHFFFAOYSA-N 444.579 6.038 30 20 IKED CCCc1c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cnn1-c1cc(C)ccn1 546255666 JCXBGJLSYCDABP-UHFFFAOYSA-N 437.503 5.445 30 20 IKED CCN(C)C(=O)c1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 553821499 HDYBVKYSEIQSJG-UHFFFAOYSA-N 429.545 5.195 30 20 IKED CC(C)n1c([C@H]2CCCN2C(=O)c2cc(-c3cccc(C#N)c3)no2)nc2ccccc21 559979925 BRFYMPUAPJWDFE-JOCHJYFZSA-N 425.492 5.121 30 20 IKED CC(C)CCOc1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 568675982 FTYXCIPETFBABX-UHFFFAOYSA-N 425.504 5.198 30 20 IKED Cc1nn(C(F)F)c(C)c1CC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 568787342 LZWYSWFXPUWXTM-UHFFFAOYSA-N 443.338 5.134 30 20 IKED CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(c1nc3c(cc1C#N)CCCC3(C)C)CC2 570544039 NEBOKCYRCSSWKA-JOCHJYFZSA-N 448.636 5.036 30 20 IKED C[C@@H](NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc(-c2cccc(C#N)c2)cc1 572072170 ZGBMYMFYTFHRJO-CJAUYULYSA-N 427.504 5.276 30 20 IKED CCOc1nc(C(F)(F)F)ccc1-c1nc([C@H](F)c2ccc(C(F)(F)F)cc2)no1 573960285 FCEXSKFBFNFFJJ-CYBMUJFWSA-N 435.299 5.627 30 20 IKED CN(C(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1 575834811 CGBBBIAUNJXSNM-UHFFFAOYSA-N 432.833 5.413 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1)[C@H]1C[C@@H]1C 581964157 AQJMHQIBXOCKPK-QYBDOPJKSA-N 439.515 5.151 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 582319999 HSKQNRGZVGXGMG-UXHICEINSA-N 442.485 5.003 30 20 IKED CCOC(=O)c1sc(NC(=O)c2sc3ccccc3c2Br)c(C#N)c1C 589742555 MNNZYEAZHCQGFN-UHFFFAOYSA-N 449.351 5.334 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(Cl)c(F)cc2Cl)cc1 590167503 XBVPYLMHTYCMJQ-UHFFFAOYSA-N 429.278 6.030 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1nc2cc(F)ccc2s1 592974220 PEYJHCBNKNTENS-CQSZACIVSA-N 436.489 5.425 30 20 IKED COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(F)c(C#N)c2Cl)c(OC)c1 602759493 LADFNHCTNIYMKD-QFIPXVFZSA-N 437.858 5.139 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)cc1 603579136 AMTXUYJEWMYBTL-UHFFFAOYSA-N 428.361 5.292 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(Br)ccc1F 603601305 WBZCYRFPDFYNIG-UHFFFAOYSA-N 426.245 5.208 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 603969164 JBDYMKRHLYARJN-UHFFFAOYSA-N 426.423 5.294 30 20 IKED CCc1cc(C#N)c(NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)s1 604029386 YEADKQAQDXIUSI-UHFFFAOYSA-N 428.311 5.384 30 20 IKED C=CCNC(=O)Nc1ccc(NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 604068359 JTSRSCAYRVTJBX-UHFFFAOYSA-N 441.510 5.598 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)N[C@@H](C)c3cccc(C#N)c3)c2)cc1 608482008 OLRVSDVEEXDDHV-FQEVSTJZSA-N 426.516 5.150 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 608964607 IKLYCHOWGURJFF-NRFANRHFSA-N 436.483 5.201 30 20 IKED CCOc1ccc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1OCC 609028554 DHHOLHZTVXMRJY-QHCPKHFHSA-N 430.504 5.058 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(NC(=O)NC(C)C)cc1 609072441 MONARVDKNHLQGJ-UHFFFAOYSA-N 442.519 5.228 30 20 IKED COc1ccc(C2(NC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CCOCC2)cc1 609322894 XCDOTPOWWYMPQF-UHFFFAOYSA-N 443.503 5.187 30 20 IKED C[C@H](Nc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1)c1ccccc1 609517111 LSIZAVCKICMYIP-IBGZPJMESA-N 434.499 6.171 30 20 IKED Cc1ccc(-c2ncc(C(=O)N[C@H](C#N)c3ccccc3Br)s2)c(C)c1 609591660 QENYVRWJPXVLBU-QGZVFWFLSA-N 426.339 5.184 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2csc(Nc3ccccn3)n2)cc1 609875091 QWYPXXVKYULLSK-UHFFFAOYSA-N 443.488 5.207 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N[C@H]3CCCC[C@@H]3c3ccccc3)c2)cc1 609942674 SSJLPQGOXZWJGL-RPBOFIJWSA-N 439.515 5.132 30 20 IKED COc1ccccc1[C@H]1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1 609982497 SECWCRZZBXBIKP-SFHVURJKSA-N 432.907 5.642 30 20 IKED CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c(C)c1 609987404 LVFQQYVBUUHTNU-SFHVURJKSA-N 426.520 5.391 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N(C)CC(=O)N(CCC#N)c2ccccc2)cc1 610216261 AFVONHNGXSWYHF-NRFANRHFSA-N 427.548 5.302 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(OC3CCOCC3)cc2)cc1 610224745 MIRKYBWVOJOGRB-UHFFFAOYSA-N 444.506 5.098 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1 610325815 PYACRBPIKOVOMJ-INIZCTEOSA-N 425.554 5.467 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 610434192 PERJRUZKHKAZCT-KCZVDYSFSA-N 447.604 5.378 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)cc2)cc1 610597804 DTRZLXRVBMUSIX-ROUUACIJSA-N 442.359 5.358 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1)c1cccc(C#N)c1 610635236 RTIIMQDURLETRI-ZWKOTPCHSA-N 429.545 5.227 30 20 IKED CN(C(=O)c1cc2ccccc2n1CC#N)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 611452518 ZMGFQOXVSPYSPR-FPOVZHCZSA-N 425.454 5.592 30 20 IKED C[C@@H](Oc1ccc2ccccc2c1)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccccc1 619817479 JIDJWFDFRQNONV-NIYFSFCBSA-N 441.510 5.062 30 20 IKED Cc1ccc(C(F)(F)F)cc1NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 673765596 CEQZPGKCYIDJKV-GHMZBOCLSA-N 436.318 6.045 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(N3CCCC3)c(F)c2)cc1 726074258 QBMBMQAGYNEJRK-UHFFFAOYSA-N 446.501 5.671 30 20 IKED CCCOc1c(Cl)cc(C=NOCc2nc(-c3ccsc3)oc2C)cc1OCC 726787862 UHPGCARMLZGDPD-UHFFFAOYSA-N 434.945 6.103 30 20 IKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(s2)-c2ccccc2C(C)(C)C3)c1 726858269 GYBLGSJFOIIKNB-IBGZPJMESA-N 430.529 5.219 30 20 IKED COc1ccccc1/C(C)=C\C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 727626659 FDKDIJSYDIRETB-RGJVZEKDSA-N 426.472 5.238 30 20 IKED CC(=O)Nc1ccc(/C=C\C(=O)c2sc(-c3ccc(Br)cc3)nc2C)cc1 727780661 RKXYYDWXIWESML-XGICHPGQSA-N 441.350 5.736 30 20 IKED Cc1ccc2c(Cl)c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)sc2c1 729189456 ZDJBMKJKWLXPQO-GFCCVEGCSA-N 437.735 6.131 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C2CC2)cc1F 730533056 CXCKCPUUJVLAJU-LJQANCHMSA-N 445.947 5.219 30 20 IKED CCc1cccc2c(CC(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c[nH]c12 731768261 FXRGEOBIBPJSLU-QFIPXVFZSA-N 437.499 5.413 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(OCc2ccc(C)cc2)c1 732436124 OMVRZNIHGCQNGT-UHFFFAOYSA-N 429.520 5.126 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=S)Nc2ccc(SC(F)F)cc2)ccc1OC 733209174 PYIRKAHDJNHSPZ-OAHLLOKOSA-N 437.537 5.177 30 20 IKED CC(=O)Nc1ccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1C 733631080 QESFMCJOVDLUST-UHFFFAOYSA-N 428.492 5.357 30 20 IKED COC(=O)[C@H](Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)c1ccc(C#N)cc1 739999998 OUTMOHXWIZVAJR-HXUWFJFHSA-N 427.382 5.091 30 20 IKED C=CCn1c(-c2cccc(C)c2)nn(CN(CCC)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1=S 740859921 VZVKRUFQWMQYII-HBMCJLEFSA-N 426.630 5.059 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)C[C@@H](C)c2ccccc2C(F)(F)F)ccc1OC 741563531 SMCJPBXZVXSVOS-WBVHZDCISA-N 434.458 5.205 30 20 IKED COc1ccc(/C=C(/Cl)c2nc(O)c3c(-c4ccccc4)c(C)sc3n2)cc1C#N 741853420 XWAOOXGEXQGQQN-GZTJUZNOSA-N 433.920 5.990 30 20 IKED Cc1c(C(=O)/C=C\c2ccc(O[C@H](C)C#N)cc2)cnn1-c1ccc(Cl)cc1Cl 743056296 UQMXDDOLCQYUJF-XTXQVDMPSA-N 426.303 5.675 30 20 IKED CC(C)(C)c1ncc(/C=C\C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)s1 744073921 IRHSAZYXCQYZME-WSROAFLRSA-N 429.517 5.732 30 20 IKED CCC(C)(C)c1ccc(Oc2ccc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)cc2)cc1 746091508 AXEXHTVSZNOBNT-IZHYLOQSSA-N 447.535 5.022 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc1 746256436 RSESVTYQHQEJEG-HYBUGGRVSA-N 448.469 5.357 30 20 IKED N#C[C@@H](C(=O)CSCc1cc(-c2cccs2)on1)c1nc2ccccc2n1C(F)F 747111381 GCWJAKZFEMGYPW-ZDUSSCGKSA-N 444.488 5.258 30 20 IKED CCOc1c(OC)cc(/C=C\C(=O)c2cc3cc(Br)ccc3o2)cc1OC 750903096 NPJKIFXASFTTCB-ALCCZGGFSA-N 431.282 5.507 30 20 IKED N#C[C@@H](C(=O)CCSc1ccnc2cc(Cl)ccc12)C(=O)Nc1ccccc1Cl 751827036 ONMMYGUUVCQQPV-HNNXBMFYSA-N 444.343 5.371 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cncc(-c3ccc(Cl)cc3)c2)cc1Cl 757875659 SPGVZKAFAICBRR-SFHVURJKSA-N 440.286 5.025 30 20 IKED N#Cc1ccccc1COc1cccc(/C=C\C(=O)c2cc3c(s2)SCC(=O)N3)c1 758024069 BDHJYDCPESJJFD-HJWRWDBZSA-N 432.526 5.139 30 20 IKED C/C(=C\c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 758874380 WZXONAPWICXMDB-QJPKHSJYSA-N 428.941 5.319 30 20 IKED Cc1ccccc1-c1cc(C(=O)Nc2ccc(F)cc2OCC#N)c2cnn(C(C)C)c2n1 760795760 HTFSUNMHHNERGQ-UHFFFAOYSA-N 443.482 5.281 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\CCc3ccc(Cl)cc3C2=O)cs1 761205847 KVYCRJUGAMNTCU-XNTDXEJSSA-N 443.355 6.347 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)c3cccc(OCc4ccc(Cl)cc4)c3)CCO2)c1 762313178 SLVFOUWEQZEDCX-DEOSSOPVSA-N 432.907 5.004 30 20 IKED N#C[C@@H](C(=O)[C@H]1CCCN1Cc1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 768782734 YGEUTOGMMVJAGY-FUHWJXTLSA-N 429.467 5.156 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 773275263 NQDCYKOKCJPSET-BSIFCXSSSA-N 427.545 5.197 30 20 IKED C[C@H](N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1)c1ccc(OCC#N)cc1 776163614 JLWTWDJXTSDDKS-LSDHHAIUSA-N 442.382 5.887 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(CC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c1 777311499 KPKCSKMUAGCNLQ-INIZCTEOSA-N 425.485 5.201 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(-c3ccncc3)cc2)c([N+](=O)[O-])cc1OCC(F)F 778517979 BIWRLQVAAQBPQG-SREVYHEPSA-N 440.402 5.205 30 20 IKED CCc1ccc(N(C(C)=O)c2nc(COC(=O)c3ccc(C#N)c(Cl)c3)cs2)cc1 778535643 RFWOMEOUBAWCSS-UHFFFAOYSA-N 439.924 5.272 30 20 IKED COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)Nc2ccccc2O[C@H](C)C#N)cc1 780669325 BYMQKGRKGHGPOZ-HXOBKFHXSA-N 433.483 5.231 30 20 IKED O=C1/C(=C\c2ccc3cnccc3c2)CC2(CCOCC2)C/C1=C/c1ccc2cnccc2c1 782341452 JXEWNVLPKKUZKE-USYBVIFISA-N 446.550 6.410 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)c1cncc(-c2ccccc2)c1)c1ccc(Cl)cc1Cl 787052620 NKZOUEQETFEMHX-XOBRGWDASA-N 438.314 5.255 30 20 IKED CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(Br)cc2C(F)(F)F)cs1 790232819 MDTVBNDQFGEAPN-FNORWQNLSA-N 447.276 5.193 30 20 IKED N#C[C@@H](C(=O)Cc1cccc(OCCCOc2ccccc2)c1)c1nccc2ccccc12 792093070 HMGKIVBLUOAJQL-SANMLTNESA-N 436.511 5.502 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2c(C)cc(C)cc2O)cs1)c1ccc(F)cc1F 799894923 ITOPKJNZQBNADG-FNORWQNLSA-N 428.460 5.324 30 20 IKED O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1ccccc1SC(F)(F)F 800354189 MAZRVAQZELPUKR-UHFFFAOYSA-N 427.341 6.021 30 20 IKED CC(C)(COCc1ccccc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 800386667 LYKPLTIPZAAPQM-INIZCTEOSA-N 432.467 5.734 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC([C@H](O)c2ccc(OCC)cc2)CC1 812966273 OGOYCPKGMIVGKS-AREMUKBSSA-N 436.596 5.915 30 20 IKED CC(C)(C)OC(=O)N1CCCc2c(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)cccc21 813214780 DJCNHEUBVXLCCP-KRWDZBQOSA-N 445.441 5.278 30 20 IKED Cc1cc(C)c(N2C[C@H](C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2=O)c(C)c1 915085368 LHWAMLAVCWBRMY-ILBGXUMGSA-N 437.543 5.259 30 20 IKED CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915087724 WRSUGYJRNGJRKD-XMMPIXPASA-N 425.532 5.008 30 20 IKED COc1cc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1OC(C)C 915351770 CBPPIJCCQMUVRP-QHCPKHFHSA-N 429.520 5.460 30 20 IKED Cc1ccc(SCc2cccc(C(=O)[C@@H](C#N)C(=O)NCc3ccccc3)c2)c(C)c1 916887653 RPTUNDIDNBKPSO-HSZRJFAPSA-N 428.557 5.235 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)COc1ccc(Cl)c2ccccc12 916906439 HJVUZTFISMFGRU-FQEVSTJZSA-N 434.923 5.344 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(-c2nc3ccccc3s2)o1 916916546 VRXPONRXUFBISW-QGZVFWFLSA-N 437.480 5.671 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(-c2ccc(F)cc2)n1 916928003 RJWSDJHDYDDQJW-CYBMUJFWSA-N 434.279 5.217 30 20 IKED C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@H](c3nc4ccccc4o3)C2)c1=S 917431883 HQAOUOPDPBXOKU-FQEVSTJZSA-N 445.592 5.169 30 20 IKED Cc1ccc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc3ccccc3c2)s1 917698324 DKGHQCDXCLKZOC-NRFANRHFSA-N 449.601 5.010 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 918034510 RMDKBKKVMGEEPY-JYFHCDHNSA-N 439.515 5.386 30 20 IKED Cc1cc(C)c(C(=O)CCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)c1 920140299 BAGXVEHTPAAUAL-OAQYLSRUSA-N 441.556 5.837 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc(-c2ccccc2F)n1 920790117 ORGMHILZUDMKSY-AWEZNQCLSA-N 447.463 5.225 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1cc2c(Cl)cccc2s1 923557861 TUKPXHPYDYKKNU-AWEZNQCLSA-N 442.924 5.055 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)cc3Cl)CCC2)cc1 1786678661 GUANOPIAOZIJMV-UHFFFAOYSA-N 446.975 5.075 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)C3(c4ccccc4)CCC3)cc2)CCC1 1791524639 YQFFVBCYYZPSHA-UHFFFAOYSA-N 446.591 5.225 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)[nH]n3)CCC2)cc1 1791730645 OORJTHHAXDKREC-UHFFFAOYSA-N 440.547 5.018 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccccc1C)C2 1798331411 MGFFIXKOISBZJH-KAOXLYBCSA-N 443.591 5.077 30 20 IKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(Cl)c(Cl)c1 1803899876 SZICVLQORUQHAG-REBRKWNGSA-N 429.775 5.111 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sccc2OCC)n[nH]1 1814338768 HOKGKSQXIOAWKP-KRWDZBQOSA-N 444.601 5.168 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C(C)=C/c2ccc(C)o2)CC1 1828826937 OYKCHDBUOMTNPZ-DETFIBCHSA-N 438.612 5.379 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)c(O)c(C)c2)CC1 1832578580 DGDCTJCDTGVNDY-ZEQRLZLVSA-N 438.612 5.011 30 20 IKED Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(C)o1 1832634109 HTNPERGQTYKWPV-AVRWGWEMSA-N 447.579 5.071 30 20 IKED CC(C)(C)CCCCCC(=O)N1CC2(CCCN2C(=O)c2ccc(C#N)cc2Cl)C1 1845489141 NTNRIQNHZQQKNI-UHFFFAOYSA-N 429.992 5.025 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)nnc1-c1ccccc1 11056610 PWRHLSWMYBCEHM-CQSZACIVSA-N 448.470 5.149 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2cccc(O)c2)c(C)s1 11127713 NFOFSWOTBMQESA-UHFFFAOYSA-O 433.578 5.562 30 20 IKED C=CCn1c(SCCCC(=O)Nc2ccccc2C(C)=O)nnc1-c1cccc(C)c1 16862876 ZZBDGMAKKTWDRZ-UHFFFAOYSA-N 434.565 5.153 30 20 IKED COc1cc(C#N)ccc1OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1 18260250 JDPSRKGMJIHRED-UHFFFAOYSA-N 441.940 5.557 30 20 IKED C=CCn1c(SCCCOCC(F)(F)F)nc2scc(-c3cccs3)c2c1=O 59961053 YCHHDTMORWBSIY-UHFFFAOYSA-N 446.541 5.434 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)Cn3ccc4ccc(Cl)cc43)c2)c1 65088593 XOHMGMNRUCUGDP-UHFFFAOYSA-N 428.879 5.057 30 20 IKED COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)CSCc2ccc(C#N)cc2)cc1 109199251 LNURGNLCVZGZOS-XMMPIXPASA-N 434.536 5.039 30 20 IKED CCN(CC)c1nc2sc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2s1 303297447 NXOUWHSKKPHQJM-ZDUSSCGKSA-N 430.624 5.708 30 20 IKED Cc1nc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)oc1-c1ccccc1 303345779 WNQXNABPYGRLPY-LJQANCHMSA-N 447.947 6.236 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CNC(C)(C)c1ccc(Cl)c(Cl)c1 303409901 UMOBMDZENFKTJM-CQSZACIVSA-N 436.408 5.709 30 20 IKED N#C[C@H](C(=O)c1cnc(OCc2ccccc2)cn1)c1nc(-c2ccc(Cl)cc2)cs1 429110667 AKKKRNGNLSBPLT-GOSISDBHSA-N 446.919 5.323 30 20 IKED N#CCCN(CC1CC1)C(=O)Nc1ccc(COc2ccc(Br)cc2)cc1 429257882 GBZPTUPRPPHLKT-UHFFFAOYSA-N 428.330 5.186 30 20 IKED CCOc1ccc(Br)cc1CN(C(=O)c1cccc(SCC#N)c1)C1CC1 430700265 LMSDCEFFOUNDDX-UHFFFAOYSA-N 445.382 5.268 30 20 IKED C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)N[C@@H](CCCC#N)c2ccccc2)C1 432707097 WWFDSMGRVOJSBC-MZKRTTBSSA-N 432.568 5.361 30 20 IKED Cc1nc([C@](C)(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C2CC2)no1 432769644 CXOWOYOCWTXALI-JOCHJYFZSA-N 437.887 5.142 30 20 IKED C=CCC[C@H](NC(=O)N(CCC)Cc1nnc(-c2ccccc2Cl)o1)c1ccccc1 435763186 VIPRGGSSPMSJQL-NRFANRHFSA-N 438.959 6.019 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(-c3cccnc3)cc2)cc1 437385088 MSQZBPUJGAEHPH-UHFFFAOYSA-N 435.552 5.843 30 20 IKED O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 438474386 HUEDZPRDSDNTMP-VXGBXAGGSA-N 437.359 5.129 30 20 IKED C[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 438844386 YDMUKRRYMBVGAX-YADARESESA-N 426.520 5.344 30 20 IKED CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccc(C(F)(F)F)cc1 439456666 ZJHLWENFHQYUNH-IBGZPJMESA-N 449.498 5.163 30 20 IKED CC[C@H](C)[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(Cl)cc1 442122806 JJADVVFOPLBXBE-SGTLLEGYSA-N 437.849 5.073 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N1CCCCC[C@H]1/C=C/c1cccs1 442434651 FTOITFOGFQTQMZ-HHNLSAEISA-N 439.606 5.177 30 20 IKED C=C(C)Cn1c(-c2sccc2C)nnc1N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 460384629 DXDPPGKTENKSHN-ROUUACIJSA-N 448.514 5.222 30 20 IKED C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 460952746 QVWBSRJJDGUAAU-KNQAVFIVSA-N 434.588 5.020 30 20 IKED COc1ccc2ccccc2c1CN(C(=O)N[C@@H](C)c1ccc(C#N)cc1)C1CCCC1 465655014 IKTGMGFDCSNREZ-IBGZPJMESA-N 427.548 5.935 30 20 IKED C[C@H](NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1cccc(OCc2ccccn2)c1 465665310 PPMRPSVMUGZIRQ-XZZVZQAVSA-N 440.547 5.203 30 20 IKED Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 466091726 KABNEIBAUGNYOD-IVZQSRNASA-N 435.959 5.099 30 20 IKED C[C@H]1CCN(C(=O)Nc2ncccc2OCCCC#N)[C@H]1c1ccc(C(F)(F)F)cc1 466621248 XBZGDUJJYNMUBZ-HNAYVOBHSA-N 432.446 5.398 30 20 IKED CC[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc2cc(OC)ccc2c1 468951323 IXHGPGFCPVNJBU-VWLOTQADSA-N 427.548 5.995 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)[C@H](C)c3ccc(Cl)c(Cl)c3)C2)n1 471292474 LOUFZPNQDAUUNW-CRAIPNDOSA-N 431.367 5.005 30 20 IKED Cc1ccc(-c2noc([C@@H](C)NC(=O)c3ccccc3-c3ccccc3C#N)n2)cc1F 472512665 BZHBUTRHBKWRKN-MRXNPFEDSA-N 426.451 5.214 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)n1 474428239 QVZAXUNSZIDOKO-SFHVURJKSA-N 431.492 6.218 30 20 IKED N#CC[C@@H](CC(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1)c1ccccc1 476451348 YEEGZJDAJGDEDD-SFHVURJKSA-N 442.906 6.102 30 20 IKED CCN1CCN(c2ccc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)c(C)c2)CC1 482019384 ZAUMSWOHMINARI-UHFFFAOYSA-N 440.547 5.053 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnc(-c2ccsc2)s1 484369547 HXITWZJHRZFQGC-UHFFFAOYSA-N 431.542 5.883 30 20 IKED C=CCN(Cc1cccs1)C(=O)NCc1cc(-c2c(OC)ccc3ccccc23)no1 488273631 QUMWBVOCLSPCCJ-UHFFFAOYSA-N 433.533 5.463 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccnc(Oc2ccccc2F)c1 488326136 KWMFVOOUKBZSAF-MRXNPFEDSA-N 436.512 5.729 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1S[C@@H](C(=O)NCc1ccccc1)c1ccccc1 488794286 JLMHSDAZZJBNAJ-LJQANCHMSA-N 427.451 5.122 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 491042164 YWTXLVJQYGYNSC-GOSISDBHSA-N 447.560 5.085 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(Oc3nncc4ccccc34)cc2)cc1OC 498586615 FMLRLDYVFJPQKC-UHFFFAOYSA-N 427.460 5.248 30 20 IKED N#CCc1ccc(NC(=O)COc2ccc(-c3nc4ccccc4s3)cc2Cl)cc1 499418757 GIXCDRNZRSBVJC-UHFFFAOYSA-N 433.920 5.700 30 20 IKED CC(=O)Nc1ccc(-c2noc(-c3cc(C(F)(F)F)ccc3F)n2)cc1C(F)(F)F 499597743 AQWJLJSOQOKJOQ-UHFFFAOYSA-N 433.283 5.539 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CSc1nncn1-c1ccc(C(C)C)cc1 500312875 SOVFVMWLQYNVGT-UHFFFAOYSA-N 447.608 5.039 30 20 IKED CC(C)c1ccc(NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c(C(C)C)c1 501184703 YLTRTCFOKKIBLL-UHFFFAOYSA-N 441.579 5.707 30 20 IKED C=CCN(C(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2)c1nc(C(=O)OCC)cs1 501945476 IQQXTHANXNYXLL-HNNXBMFYSA-N 432.611 5.365 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 502618186 JLFQVEJAEMFTDV-UHFFFAOYSA-N 441.491 5.611 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Oc4ccccc4)nc3)n2)cc1 503438312 UDYFJEBATQSBAN-FQEVSTJZSA-N 427.485 5.496 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(CCC(F)(F)F)cc3)n2)cc1 504559510 AOOBSDAWCFFLFE-GOSISDBHSA-N 430.451 5.804 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCOc2ccccc2Cl)cc1 507111926 KYMJRWICGNSOCR-UHFFFAOYSA-N 435.911 5.186 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccccc4Cl)C3)cc2)cc1 509223771 HFIHGBVKKXNDJS-HSZRJFAPSA-N 433.895 5.609 30 20 IKED C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)N(c1nccs1)C1CCCCC1 510211381 SETCQXGTFXTEQB-KRWDZBQOSA-N 448.617 5.923 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 510700043 KYIUVJGPESOUFJ-JWQCQUIFSA-N 445.494 5.840 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCSc3c(F)cccc32)cc1 511355201 LSXKIMYRCANJAU-HSZRJFAPSA-N 447.535 5.829 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 511510678 ANVAPEGEOBCDBF-XMMPIXPASA-N 440.503 5.188 30 20 IKED C=CCN(C(=O)CSc1cccnn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 511845435 WOWGXCRLHQGROU-UHFFFAOYSA-N 437.377 5.218 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)c2)cc1 515710728 ZBUDSWXSNBVERX-UHFFFAOYSA-N 427.338 5.530 30 20 IKED C=CCn1c(SCC(=O)Nc2ncsc2C(C)C)nnc1-c1ccc(Cl)cc1 516512492 XIIFMVKBABOJQM-UHFFFAOYSA-N 433.990 5.095 30 20 IKED Cc1ccc(OCc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)o2)c(C)c1 516768046 OHZOCVCTIDPGDJ-LJQANCHMSA-N 429.501 5.484 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@H](c3ccc(F)cc3)[C@H]3CCCO3)cc2)c1 517530628 UKHLKVKLKYMDQL-DNQXCXABSA-N 431.467 5.531 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Cl)c4c(c3)OCCCO4)n2)cc1 517800814 KJHWCQCFIWKXAQ-INIZCTEOSA-N 440.908 5.123 30 20 IKED CN(C(=O)c1cccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1)c1ccccc1 517820477 HYAVEHZOLZLKJK-UHFFFAOYSA-N 431.495 5.010 30 20 IKED C[C@H]1CN(Cc2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)cc2)C[C@H](C)O1 519977926 KGYWCTVFGJIZTH-PMACEKPBSA-N 441.531 5.212 30 20 IKED CC(=O)CCc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 521610043 CZKDKPWKSVPKGX-GOSISDBHSA-N 438.593 5.310 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 521787970 ZFVYDHOQPXHHMK-UHFFFAOYSA-N 432.568 5.055 30 20 IKED C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 522432930 GVBFFEZGEDFQOT-BEFAXECRSA-N 435.578 5.112 30 20 IKED Cc1cc(-c2ccccc2)ccc1NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 522801510 OVRTZFGMSNCUGT-UHFFFAOYSA-N 447.542 5.436 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@@H]1c1nc2ccccc2n1C 533525305 YZOOVUFVDSYKCJ-PGRDOPGGSA-N 447.608 5.133 30 20 IKED COc1ccccc1[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccccn1 536338309 HUUPOAWGAXIHCO-MUUNZHRXSA-N 435.527 5.420 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCCOc1ccc(F)cc1Cl 537624948 XXNWCDWANUZNQK-CQSZACIVSA-N 438.977 5.482 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1 540959186 SQCPVMCEZSHILQ-KRWDZBQOSA-N 446.576 5.190 30 20 IKED C[C@H](NC(=O)NCCc1nccn1Cc1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 542054112 KPWXDIXXQMWVPO-NRFANRHFSA-N 449.558 5.073 30 20 IKED O=C(Nc1ccccc1CCC(F)(F)F)N[C@@H](c1cccc(F)c1F)C(F)(F)F 542396316 GQDVHFXCRYCQQA-HNNXBMFYSA-N 426.307 5.885 30 20 IKED N#CCCn1cc(/C=C/c2nc(-c3cccc(NC(=O)C4CCC4)c3)no2)c2ccccc21 544948156 JWMNGMALHGHHLV-OUKQBFOZSA-N 437.503 5.514 30 20 IKED O=C(c1ncsc1C(F)(F)F)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 546693027 BXPJNKOIOKDTSL-UHFFFAOYSA-N 442.356 5.162 30 20 IKED C=C(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(OC(C)C)CC1 549634297 NEHCNIWQAODWKC-UHFFFAOYSA-N 436.556 5.087 30 20 IKED C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC(OC(C)(C)C)CC1 549667324 QFIDUICBONFAKZ-UHFFFAOYSA-N 433.394 5.068 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CC[C@H](COCc2ccccc2)C1 549677627 GQAJPYGNNSAPES-QFIPXVFZSA-N 439.563 5.113 30 20 IKED CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 550296066 GILJUVURLSUPIK-LJQANCHMSA-N 430.470 5.216 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)c1nccn1-c1ccccc1 553362971 UUIZBYBMYPVSNH-QGZVFWFLSA-N 435.528 5.221 30 20 IKED C=C1CCN(c2nnc(-c3cc(-c4ccco4)nc4ccccc34)n2C[C@@H]2CCCO2)CC1 559096246 ZQWLCVMBKAPJRD-IBGZPJMESA-N 441.535 5.089 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 560147761 DWDIJSGBYGQLIZ-XZOQPEGZSA-N 449.986 5.037 30 20 IKED CN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1ccc(OCc2ccccc2)cc1 560666608 NGCRUWATIXEXSX-UHFFFAOYSA-N 443.522 5.156 30 20 IKED C[C@@H](Cc1cccc(Br)c1)NC(=O)Nc1ccccc1SC[C@H](C)C#N 561206312 PSLZDQYVYDHQIG-CABCVRRESA-N 432.387 5.454 30 20 IKED CN(CCOCc1ccc(C#N)cc1)C(=O)Nc1cccc(Cl)c1SCC(F)F 568439184 BTILCWSRNFQLFA-UHFFFAOYSA-N 439.915 5.249 30 20 IKED COc1cc(CNC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)ccc1C#N 573023266 HUJSIPPBACZYBI-UHFFFAOYSA-N 442.397 5.095 30 20 IKED C[C@@H](Oc1ccccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(F)(F)F 573841958 RNAFSHULFPMVLG-CQSZACIVSA-N 427.382 5.327 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F 575067057 UBDKLKFDJXHSFQ-SYQHCUMBSA-N 449.313 5.039 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)CC1 577412976 XYAJFHHQYJVNLU-UHFFFAOYSA-N 439.487 5.109 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)c1 589802511 KIRCOACYZUZSLA-QHCPKHFHSA-N 434.923 5.139 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)CCc3ncc(-c4ccccc4Cl)o3)c2C#N)C1 590612541 DABLSVPZUMWSJT-ZDUSSCGKSA-N 425.941 5.624 30 20 IKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCSCc1ccccc1C#N 603496895 SDQNDEZUXKFUOR-UHFFFAOYSA-N 446.359 5.492 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1cc(Cl)ccc1Cl 603601324 WMHQKOFLBMQQMT-UHFFFAOYSA-N 428.275 5.378 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc(OCc2ccc(F)cc2)c1 603670414 KZNQZAZJIAUNKZ-UHFFFAOYSA-N 434.467 5.083 30 20 IKED Cc1c(Cl)cccc1-n1c(S[C@@H](C#N)Cc2ccccc2)nnc1-c1ccncc1 603981270 ZNTJBGMRJCDCRL-LJQANCHMSA-N 431.952 5.518 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)NC(=O)CS4)cc2Cl)cc1 604026958 OKPSQBGLOGQTME-UHFFFAOYSA-N 435.892 5.300 30 20 IKED COc1cccc(CN(CC(C)C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1 604495236 DZHHGJCYIRVYDR-UHFFFAOYSA-N 434.565 5.304 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 608918582 LZCDHIQAIIGCDJ-UHFFFAOYSA-N 440.591 5.407 30 20 IKED CN1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)Cc2ccccc21 609046655 IEFJJAWIHLALPE-JOCHJYFZSA-N 430.939 5.479 30 20 IKED Cc1ccn(-c2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc2)n1 609104492 GIHFGJUIGDSGOF-UHFFFAOYSA-N 426.451 5.023 30 20 IKED CCc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cnn1-c1ccccn1 609164642 SZJOOXWPQXALQA-FQEVSTJZSA-N 441.922 5.391 30 20 IKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccccc1Cl 609387126 ONJUTRGXCJUTRP-GFCCVEGCSA-N 427.879 5.804 30 20 IKED Cc1nc(-c2ccc([C@@H](C)NC(=O)CCC(=O)N(CCC#N)c3ccccc3)cc2)cs1 609420326 IMKHDEJOFBWLOZ-GOSISDBHSA-N 446.576 5.023 30 20 IKED Cc1ccccc1[C@H](NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@H]1CCC[C@@H](C)C1 609599316 OWBMTXNSAITIDO-BORKOYIJSA-N 445.611 5.097 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@H](c2ccccc2)c2nccs2)c1 609723986 BHLMZBMONZPGHM-JOCHJYFZSA-N 445.931 5.980 30 20 IKED C[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(F)cc1Cl 609927699 HNLCHDVRGCMPQG-AWEZNQCLSA-N 436.874 5.486 30 20 IKED COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)N(CC#N)C2CCCC2)s1 609995063 XTNKQQSDEMVJOT-UHFFFAOYSA-N 446.576 5.400 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 610434194 PERJRUZKHKAZCT-TUNNFDKTSA-N 447.604 5.378 30 20 IKED COc1ccc(CNc2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2C)cc1OCCCC#N 610910156 UPONIHLSMCQPBT-PMACEKPBSA-N 449.595 5.416 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)s2)cc1OC 613290835 NUYHRDKCNXRSQI-KRWDZBQOSA-N 429.501 5.174 30 20 IKED CCCc1c(NC(=O)N2CCS[C@H](c3ccccc3)C2)cnn1-c1cccc(C#N)c1 615268548 BXDOVDIZUIQTRT-QHCPKHFHSA-N 431.565 5.018 30 20 IKED O=C(N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2ccc(F)cc2)CCCCC1 619903758 MMIRZHVRRBNLKL-HUUCEWRRSA-N 425.388 5.617 30 20 IKED N#C[C@H](C(=O)c1cccc2c1OCCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 620847310 QLHFEBWUTCLMKE-CQSZACIVSA-N 431.300 5.378 30 20 IKED O=C(Nc1cc(F)ccc1F)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 641851124 MCPTVSLIZUFBFH-UHFFFAOYSA-N 435.274 5.440 30 20 IKED O=C(NCCCc1c[nH]c2ccc(F)cc12)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 669788609 RLCUXZBRJXNQHZ-CHWSQXEVSA-N 439.375 5.012 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3cnc(-c4ccc(C(F)(F)F)cc4)s3)[nH]c12 673812384 XAPGUAAICRHXPR-AWEZNQCLSA-N 426.423 5.504 30 20 IKED CC(=NNc1ncnc2scc(-c3ccc(C)cc3)c12)c1ccc(N2CCOCC2)cc1 725827822 XOXIYZDLOHXSCV-UHFFFAOYSA-N 443.576 5.339 30 20 IKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NNCc1ccc(F)cc1F 727062431 UPQJBXUDNBDWRC-UHFFFAOYSA-N 428.792 5.255 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 728148202 XUCNKQCTSYGYHH-UZUQRXQVSA-N 441.487 5.205 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)O[C@H](c2ccncc2)c2ccc(F)cc2)o1 728414468 QZUUGNMBZLUFEW-DEOSSOPVSA-N 428.419 5.211 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(OCc3cccnc3)cc2)cc1 728495380 RYMRNOQONQHSCK-UHFFFAOYSA-N 435.483 5.364 30 20 IKED C=CCc1cc(CNCc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc(OC)c1OC 729683237 ILYXHGAHPTZDOY-UHFFFAOYSA-N 425.960 5.178 30 20 IKED COc1cc(/C=C\C(=O)c2sc(-c3ccccc3Br)nc2C)ccc1O 730149770 ZIDBYFPKTKOMMK-NTMALXAHSA-N 430.323 5.491 30 20 IKED COc1ccc2oc(C)c(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c2c1 730994693 LUIKHXUZGHYJCN-UHFFFAOYSA-N 434.439 6.027 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)C1CCCCC1 731405792 HXWVXPVZYPFBLW-MBSDFSHPSA-N 435.593 5.457 30 20 IKED COc1cc2c(cc1NC(=O)c1ccc(Oc3ccc(C#N)cn3)cc1)oc1ccccc12 731956302 FKQPPILKEQSYCF-UHFFFAOYSA-N 435.439 5.906 30 20 IKED COc1cc(C2SCCS2)ccc1OC(=O)CCCCOc1cccc(C#N)c1 731962850 CFJJZZSRZMKVKM-UHFFFAOYSA-N 429.563 5.200 30 20 IKED C#CCN(C(=O)Nc1ccc(CSC)cc1)[C@H]1CCOc2ccc(Br)cc21 733631361 XNIVUTIZSYWMFN-IBGZPJMESA-N 445.382 5.303 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)ccc1OC 733640774 NAOOMMKEFHPXCI-CJNGLKHVSA-N 436.339 5.243 30 20 IKED Cc1ccccc1COc1cccc(CC(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c1 734082730 FPXHBKHXNOQBJS-QHCPKHFHSA-N 439.540 5.512 30 20 IKED C[C@@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1nc2ccc(Cl)cc2[nH]1 734103530 RFNUPKPZAPDOQM-OAHLLOKOSA-N 430.895 5.158 30 20 IKED CO[C@@H](CNC(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)C(F)(F)F 741070225 WSUKBZLKQLDTKD-JTQLQIEISA-N 444.319 5.059 30 20 IKED C#CCOc1ccc(C(=O)Nc2nc(C)c(-c3nc4ccccc4n3C(F)F)s2)cc1 741530001 RHKYEDAROZZWRD-UHFFFAOYSA-N 438.459 5.128 30 20 IKED CC(=NOCC(=O)N(Cc1cccc(F)c1)C(C)(C)C)c1nc2ccccc2n1C(F)F 742353735 QKLHVLMGKHUWQX-UHFFFAOYSA-N 446.473 5.138 30 20 IKED N#CCCn1cc(C(=O)CN2CCCCC[C@H]2C[C@H](O)c2cccs2)c2ccccc21 750835138 HUHZNIOEYMHLOI-CVDCTZTESA-N 435.593 5.167 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1 751014192 OELHSIKGJADJFI-UHFFFAOYSA-N 433.577 5.614 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCCCC[C@H]3C[C@H](O)c3ccco3)cc2)cc1 752102087 QOEHNWMBKQRRDI-DHLKQENFSA-N 444.531 5.646 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC(c2ccc(F)cc2)CC1 752853728 CTYBUDOAKVEXGK-HUUCEWRRSA-N 440.403 5.624 30 20 IKED COc1cccc([C@@H](C#N)NC(=O)c2cc(Cl)ccc2Sc2ccccc2)c1OC 759180489 UEGOGRKLZJPBCE-LJQANCHMSA-N 438.936 5.503 30 20 IKED CSc1cccc([C@@H](NC(=O)Cc2cccc(OCC#N)c2)c2cc(F)ccc2F)c1 760510544 JGVUUDUSYYHNJQ-XMMPIXPASA-N 438.499 5.037 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 761703905 YZAAOLHWEJTTNH-DVECYGJZSA-N 426.516 5.018 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)CCO2)c1 762304158 VLDBVRSZCNCATA-DEOSSOPVSA-N 443.890 5.089 30 20 IKED COc1cc(/C=C/C(=O)c2sc(-c3ccc(F)cc3)nc2C)ccc1OCCC(=O)O 763372954 HFACCKOJFQSNCL-YCRREMRBSA-N 441.480 5.016 30 20 IKED CCCC(=O)Nc1ccc(Cl)c(NC(=O)NCc2cccc(O[C@H](C#N)CC)c2)c1 763992571 JYISYAZENWAAJV-KRWDZBQOSA-N 428.920 5.081 30 20 IKED C[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)[C@@H](O)c1c(Cl)cccc1Cl 768076318 DLVIJPURMNFFFR-SPLOXXLWSA-N 430.335 5.104 30 20 IKED CC(C)[C@@H](OC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)Nc1ccccc1Cl 769543477 KHMKQCIOKYCVKT-JOCHJYFZSA-N 437.927 5.419 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 770440009 AAKYTCANWFNRRZ-APWZRJJASA-N 446.617 5.286 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-n4cnc5ccccc54)nc3)n2)cc1 775228079 SINGQKLWMWQPLL-LJQANCHMSA-N 435.512 5.343 30 20 IKED O=C(NOCc1ccc(C(F)(F)F)cc1)N[C@H](c1c(F)cccc1F)C(F)(F)F 776009262 WXEIIKRJTDCBOK-CQSZACIVSA-N 428.279 5.018 30 20 IKED CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 777295336 DSMNPYVEAWZIQY-SBUREZEXSA-N 427.570 5.378 30 20 IKED Cc1cc(C)cc(-n2nc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2C)c1 777304391 POTRKJYRWYKZOV-KRWDZBQOSA-N 441.318 5.066 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@@H](C)C(=O)c3ccc(Cl)cc3)n2)cc1 777308859 HHKZUFRQGBVHIB-AUUYWEPGSA-N 438.936 5.557 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)Nc2ccccc2O[C@H](C)C#N)c1C 780579685 PYMAXVUBGQYYKM-GFCCVEGCSA-N 444.322 5.731 30 20 IKED C[C@@H](NC(=O)N(C)Cc1ccn(-c2ccccc2)n1)c1ccc(-c2cccc(C#N)c2)cc1 782754257 XRVRVJQYIJVLQJ-HXUWFJFHSA-N 435.531 5.314 30 20 IKED C[C@@H](OC(=O)c1cccc(COc2ccccc2C#N)c1)c1nnc(-c2ccc(F)cc2)o1 783672095 FGNRMLHNCGLQJE-MRXNPFEDSA-N 443.434 5.244 30 20 IKED Cc1nc(C(C)(C)C)sc1C(=O)[C@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 787048681 GYFNSHWMYBKQDN-YGRLFVJLSA-N 438.380 5.256 30 20 IKED CCc1ccccc1N(C(C)=O)c1nc(COC(=O)C[C@@H](CC#N)c2ccccc2)cs1 795979277 BHHSUUWYQLRUBT-OAQYLSRUSA-N 447.560 5.521 30 20 IKED Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)O[C@@H](C)C(=O)Nc1ccccc1C#N 797882459 AWPDDABONXBXKJ-LBPRGKRZSA-N 444.274 5.013 30 20 IKED CC(C)(C(=O)OCc1cc(Cl)ccc1OCC#N)c1csc(-c2cccs2)n1 800292507 OIZJVMQEBGAASR-UHFFFAOYSA-N 432.954 5.448 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 800576624 SETYSVXEWVSGEZ-IFMALSPDSA-N 427.589 5.449 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1 806201309 WMVOEXTXPUWJMZ-FPCALVHFSA-N 437.543 5.378 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 806350036 XQUMTFBYNGPNRX-KRWDZBQOSA-N 439.434 5.069 30 20 IKED C#C[C@H](NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(Cl)cc1 811963001 FBQXMKUTSKRXTI-JMSVASOKSA-N 426.788 5.223 30 20 IKED C[C@@H](Cc1cnc2ccccc2n1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 815925871 UKPRRBYWELMZAL-DZGCQCFKSA-N 434.471 5.087 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc3n(C(C)C)c4ccccc4n23)cc1 854408237 WLYRVZFZZFCLPF-GOSISDBHSA-N 446.580 5.001 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)c2C#N)C1 906802205 CPDNEHSLEWOBNG-AWEZNQCLSA-N 425.554 5.273 30 20 IKED Cc1ccccc1-c1nnc(S)n1N=Cc1cc(Cl)ccc1OCc1cccnc1 914693531 GNMBYDNPZZXAPT-UHFFFAOYSA-N 435.940 5.052 30 20 IKED COc1ccc(CCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1Br 915104057 JEHXFYUAVWTKOV-CYBMUJFWSA-N 448.267 5.012 30 20 IKED CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2cccc(OCC#N)c2)c2cccs2)cc1 915743613 UNELLPRXPCLPIA-SBUREZEXSA-N 447.560 5.008 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2ccc(C(F)(F)F)cn2)cs1 915917467 CHYUKIKCNIOPEF-UHFFFAOYSA-N 433.459 5.304 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cccc(OCc2csc(C)n2)c1 916902114 CCCXTHZBIVDXIM-JOCHJYFZSA-N 447.560 5.117 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc2c3ccccc3n(C)c2s1 916903435 NVUVHEDERWPJMM-IBGZPJMESA-N 429.545 5.479 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)s1 916915697 HMHRXXKQYIOOLI-QGZVFWFLSA-N 431.542 5.223 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(CCC(C)C)C2=O)c1 917701901 DAERWZAZFGDREG-QFIPXVFZSA-N 448.592 5.182 30 20 IKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)Nc1cccc(OCC#N)c1 918596369 CQZCNOBZRUGLLJ-UHFFFAOYSA-N 427.460 5.178 30 20 IKED COc1cccc([C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 920111427 VWVJYRALJCRGNI-SJKOYZFVSA-N 431.344 6.105 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN(C2CC2)[C@H](C)c2ccc3ccccc3c2)c1=S 920305053 GCQRCPBORZKSKZ-LJQANCHMSA-N 441.604 5.998 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cccc4ncccc34)cc2)CCC1)C(F)(F)F 1788907230 YFXNTGFMHWADBU-UHFFFAOYSA-N 439.437 5.101 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)[nH]3)cc2)CCC1 1789674888 NMGFDMRVEIWIHY-GOSISDBHSA-N 445.485 5.550 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3sccc3OCC)CCC2)cc1)C(F)(F)F 1791302487 KOIGIGHWPVSQNT-UHFFFAOYSA-N 438.471 5.013 30 20 IKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@]4(C)C[C@H]4C)CCC3)cc2)cc1C#N 1792168966 RRFYAOQOTKNEQD-WXTAPIANSA-N 445.563 5.139 30 20 IKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccc(Cl)cc3)CCC1)C2 1793055047 RHOKSUQMNZHBDW-NUNAXRQHSA-N 441.015 5.168 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C3CC3)cc2)[C@H]1c1cccnc1 1811835840 XRVICHJDXGQBJJ-CLJLJLNGSA-N 443.591 5.047 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc4ccccc4o3)sc2C1 1818324394 VBSCJGZCEDWWML-INIZCTEOSA-N 437.565 5.108 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2C)[nH]n1 1821929164 VQGYKTQJVSUZMX-LIRRHRJNSA-N 448.489 5.255 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc(C(C)C)cs2)CC1 1828821421 NIDWAMGOOHTRFV-IFMALSPDSA-N 443.657 5.268 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(F)c2)CC1 1828827725 SWDOIGUOCDRLOB-ZEQRLZLVSA-N 426.576 5.136 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccncc2-c2ccccc2)CC1 1829490815 FRBSMTVSTIZDPR-QFQXNSOFSA-N 445.607 5.194 30 20 IKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)cc2Cl)CC1 1832608477 WLVGKVCGQXYFSA-QHCPKHFHSA-N 429.004 5.075 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(C)cc2F)CC1 1832623382 OCWITKKQCNBUGK-YKSBVNFPSA-N 444.566 5.275 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc3c(c2)CCCC3)cc1 10173226 YEQPQJWYOCUWJT-UHFFFAOYSA-O 437.535 5.490 30 20 IKED N#Cc1ccccc1CSCCNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 15827037 ILBAMTYCUAUZSO-UHFFFAOYSA-N 439.540 5.543 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 20409507 ZUUCFCOAQKPKSP-INIZCTEOSA-N 426.973 5.062 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1cc(C)ccc1C 22729640 UHITWTGAHOALIA-UHFFFAOYSA-O 430.018 5.919 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cc(C)cc(C)c2)cc1 22730211 BFLNTMHDRGRHDP-UHFFFAOYSA-O 425.524 5.482 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccc(Cl)cc3)o2)c1 23426434 PUWWQYWJWIGQPU-MRXNPFEDSA-N 440.956 5.434 30 20 IKED C[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)N1CCc2ccccc2C1 25939697 MIEUOTWLDRMLII-FQEVSTJZSA-N 441.600 5.027 30 20 IKED C=CCN(C(=O)CCCOc1cccc(F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 58041175 SFJYGHQTFQGOAA-UHFFFAOYSA-N 441.484 5.236 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(CCN3CCCC3)cc2)cc1 65877086 UWGTXBURZPJZMW-UHFFFAOYSA-N 425.532 5.028 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1Cl 107654729 HWRNXPAAULOSCZ-GOSISDBHSA-N 433.920 5.292 30 20 IKED Cc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c(Cl)c1 301196246 JBMDHSQKGJPKHY-UHFFFAOYSA-N 435.936 5.503 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 303396835 ZCUQAVOEDSIAGL-APWZRJJASA-N 434.521 5.057 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccccc3NC(=O)C[C@H]3C=CCC3)c2)cc1 409979214 WJEITOIBZQYFEC-IBGZPJMESA-N 437.499 5.898 30 20 IKED CCCc1c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cnn1-c1ccc(C)cc1 432559766 SEKAIGYDDDDEHX-UHFFFAOYSA-N 437.503 5.445 30 20 IKED CN(C(=O)c1cccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c1)c1ccccc1 432907522 QIXSIWAJZXTHGR-DEOSSOPVSA-N 426.520 5.520 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)c1 436165868 ANVLFYABMIPSFQ-UHFFFAOYSA-N 438.487 5.182 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3ccc4noc(-c5ccc(F)cc5)c4c3)CC2)c1 437360152 UHQMFGGLQKHGEE-UHFFFAOYSA-N 441.462 5.189 30 20 IKED CN(Cc1ccccc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)C1CCCCC1 437577621 FCBLWFPOEQMHNA-AOYPEHQESA-N 430.596 5.755 30 20 IKED CCCc1c(NC(=O)N2CC=C(c3cccc(OC)c3)CC2)cnn1-c1cccc(C#N)c1 439677646 IWARKVCIGPSICY-UHFFFAOYSA-N 441.535 5.026 30 20 IKED CCCc1c(NC(=O)N2CCC[C@H]2c2cccc(N(C)C)c2)cnn1-c1cccc(C#N)c1 439687773 YZGRSDBWGCWYJU-DEOSSOPVSA-N 442.567 5.131 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 446491033 SNQALKCDVKAJSP-UHFFFAOYSA-N 438.512 5.889 30 20 IKED Cc1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc(C)c1F 460822879 IJXLJVIXCCVZKB-UHFFFAOYSA-N 432.464 5.268 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)c2ccc(Br)s2)cc1 463168374 YTOLHPKHEXETAA-AWEZNQCLSA-N 433.371 5.067 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C 468581047 WORCHKZXLZXVDO-VBKZILBWSA-N 445.535 5.059 30 20 IKED CCC1(CC)CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC[S@]1=O 469465211 RRXOVTHZDORBEJ-WENCNXQZSA-N 444.000 5.150 30 20 IKED C=C(C)[C@@H](NCc1ncc(Br)cc1Br)c1ccc(F)c(F)c1 474003867 ZBLWLMFYMGRDRM-MRXNPFEDSA-N 432.106 5.292 30 20 IKED C=C(C)[C@H](NC(=O)C(=O)Nc1cccc(COC2CCCCC2)c1)c1ccc(F)c(F)c1 477653871 LFAOLONNAYFKIH-QHCPKHFHSA-N 442.506 5.186 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2csc(-c3ccco3)n2)cc1Cl 478228863 FYYUXWGLXICMMW-LJQANCHMSA-N 448.935 6.034 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 481333259 WXVNITGQQZAZSK-AWEZNQCLSA-N 428.376 5.478 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCc1coc(-c2ccc(Cl)cc2)n1 481369856 HZTJIKFLBLZUMN-UHFFFAOYSA-N 438.940 5.644 30 20 IKED C=CCn1c(SCC(=O)N(Cc2ccco2)c2ccccc2)nnc1-c1ccccc1C 481384988 BGTSLRCLRPTVDK-UHFFFAOYSA-N 444.560 5.358 30 20 IKED CC(C)(C#N)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)cc1 483312914 WNHORNNLDLGVPG-UHFFFAOYSA-N 441.409 5.604 30 20 IKED Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 483327577 UFXMEEXAIMLZKQ-UHFFFAOYSA-N 447.494 6.164 30 20 IKED CN(Cc1ccccc1)CC1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 486471764 JHBDXECGYVCMGO-UHFFFAOYSA-N 439.559 5.335 30 20 IKED C=CCC[C@@H](C(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)cs1)c1ccccc1 487740033 NZPPIWXYTZPZKD-GOSISDBHSA-N 425.579 5.196 30 20 IKED N#Cc1ccc(NC(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)cc1Br 487981718 BZKUTRWHUJVTEV-ZDUSSCGKSA-N 443.276 5.013 30 20 IKED Cc1nc(C(C)(C)C)sc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 488310305 XWTXNPSISHMRTB-UHFFFAOYSA-N 429.596 5.017 30 20 IKED CC[C@@H](C)NC(=O)c1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 491502667 RTBPDRHCLQLZLX-GOSISDBHSA-N 442.519 5.201 30 20 IKED N#Cc1ccccc1-c1ccc(CS(=O)(=O)Cc2ccc(OCC(F)(F)F)cc2)cc1 494735572 OSIHWSIDNCFJHG-UHFFFAOYSA-N 445.462 5.281 30 20 IKED N#Cc1ccc(SCC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)nc1 495272727 OQWMFNCFCLMZIO-UHFFFAOYSA-N 440.322 5.239 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 499387767 CEXUVNGSMJZNKQ-WOJBJXKFSA-N 448.320 5.559 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC2(c3ccc(F)cc3)CCC2)cc1C 499743992 POCHRQJALKWAOH-UHFFFAOYSA-N 430.527 5.071 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC[C@](O)(C(F)(F)F)CC1)c1ccc(C(F)(F)F)cc1 500105210 JVSXRIHFYUZAKL-SJLPKXTDSA-N 438.412 5.202 30 20 IKED CCOCc1ccc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 500877666 VWPREFSUHTYRON-UHFFFAOYSA-N 429.520 5.190 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)CCCc3ccc(Cl)c(Cl)c3)CC2)c1 501719866 TWEFCFPQDGNFIG-UHFFFAOYSA-N 444.362 5.065 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2oc3ccc(F)cc3c2C)cc1C 501796300 PLGJLGDNAKBIJP-UHFFFAOYSA-N 430.483 5.204 30 20 IKED C=CCN(C(=O)Cc1ccc(C#N)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 505023973 KQBRGPRMXBTJGE-UHFFFAOYSA-N 428.344 5.750 30 20 IKED N#C[C@H](C(=O)Nc1cccc(Br)c1)c1nc(-c2c(F)cccc2F)cs1 505750887 NQONIOHLNWGZEX-GFCCVEGCSA-N 434.265 5.097 30 20 IKED Cc1nc(CSc2ccc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)cc2)cs1 505975265 CMKYDTNPGHQQIT-IBGZPJMESA-N 448.400 6.045 30 20 IKED C=C(C)COc1cc(CN(CC)CC(=O)Nc2c(Cl)cccc2Cl)ccc1OC 506258654 JUYUSCZXJYETNT-UHFFFAOYSA-N 437.367 5.418 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2ccc(COc3ccccc3Br)cc2)n1 513661675 UYWYHBDFIVICLT-INIZCTEOSA-N 427.323 5.283 30 20 IKED C[C@@H](C#N)CN(C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)C1CC1 513765812 JZUJRWYBTDNHNB-AWEZNQCLSA-N 430.430 5.114 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N(c1ccccc1)c1nc2ccccc2s1 514430994 CJYAFSRZUKJKOH-UHFFFAOYSA-N 443.528 5.700 30 20 IKED COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 515378907 XCGCYWPAMKUYFJ-DEOSSOPVSA-N 447.922 5.408 30 20 IKED N#CCC[C@@H](NC(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccccc1 518014967 KTPCXQQOCKMMLQ-QGZVFWFLSA-N 431.393 5.197 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC1(c2ccc(Cl)cc2)CCOCC1 518169322 RCVIOGINCAZWCI-MRXNPFEDSA-N 429.973 5.419 30 20 IKED C=CCOc1ccccc1CNC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 518395770 QLXCBWCGHFRSBE-UHFFFAOYSA-N 429.545 5.121 30 20 IKED CC(C)(C)CN(CCCO)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 518578732 GWNKYOYRLYHQNA-UHFFFAOYSA-N 429.948 5.053 30 20 IKED C=CCOc1ccccc1C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 522720092 PMZKIIUNZFWHDL-PGRDOPGGSA-N 432.486 5.083 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 523497781 BUJLJBKISOJGQL-UHFFFAOYSA-N 431.517 5.370 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3cc(Br)ccc3F)c2)c1 523745314 HYOGOACYZZZONN-UHFFFAOYSA-N 425.257 5.291 30 20 IKED Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)s1 524422288 HSBPSPXDIPXTMU-UHFFFAOYSA-N 439.540 6.130 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1(c2cccs2)CCCCC1 525325125 USVZFRZGXSNWIM-QGZVFWFLSA-N 441.622 5.099 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H](C)c1ccccc1Br 532780252 GSODWRKGMDHRJN-JKSUJKDBSA-N 446.414 5.475 30 20 IKED C[C@@H](C#N)CN(C(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1)C1CC1 532818624 CGFKNXHEOPXKGM-AWEZNQCLSA-N 438.890 5.976 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccccn4)c3C(C)C)n2)cc1 534692630 SLODYVWBVQGTIR-GOSISDBHSA-N 427.533 5.313 30 20 IKED C=C(C)[C@H](CC(=O)N(CC)[C@H](c1ccc(Br)cc1)c1cccnc1)OCC 535966129 HVRASGHWPHPTBN-RBBKRZOGSA-N 431.374 5.153 30 20 IKED CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1 538050318 OVQXYTOJBKZWHC-YTTGMZPUSA-N 445.588 5.594 30 20 IKED C[C@@H](NCc1nnc(C(=O)Nc2ccccc2)s1)c1ccc(-c2cccc(C#N)c2)cc1 543876939 LCPPJJINFOOMPK-QGZVFWFLSA-N 439.544 5.180 30 20 IKED CCn1cnnc1-c1ccccc1NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 543880692 ROZLEBCHQIOFDZ-GOSISDBHSA-N 436.519 5.386 30 20 IKED Cc1ccc(/C=C/c2nc(SCC(=O)Nc3ccccc3S[C@@H](C)CC#N)n[nH]2)o1 561138858 XIDXFCUJJRNQJX-FEAKQIBJSA-N 439.566 5.002 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H](C)Cc1ccccc1C(F)(F)F 561897914 HPFJFOYODGNHRL-SJORKVTESA-N 449.542 5.601 30 20 IKED N#CCCn1cc(CN(Cc2cccs2)C2Cc3ccccc3C2)c(-c2ccncc2)n1 564744683 SZQASEDNIPODCY-UHFFFAOYSA-N 439.588 5.090 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@@H](c3ccccc3C)C[C@H]2C)cc1C 572887029 HYNTUPFYDVHEAJ-GGAORHGYSA-N 426.564 5.407 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC4(CCC4)[C@H]3[C@H]3CCCO3)cc2Cl)cc1 573610970 SSTWFKCZWAHSIB-FGZHOGPDSA-N 437.927 5.569 30 20 IKED O=C(NCC#Cc1cccc(F)c1)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 574467335 STQBHXMVILDCIS-UHFFFAOYSA-N 441.428 5.003 30 20 IKED C=CCOc1ccc(CNc2ccc(C(=O)NCc3ccccn3)c(Cl)c2)cc1Cl 577968431 ORALODXLXBBBPP-UHFFFAOYSA-N 442.346 5.495 30 20 IKED CCCc1c(NC(=O)[C@H](C)c2ccc(C(=O)C(C)C)cc2)cnn1-c1cccc(C#N)c1 579811883 SNFMXRSFRCAKRF-GOSISDBHSA-N 428.536 5.277 30 20 IKED C=CCN(C(=O)[C@H]1CC[C@@H](C(F)(F)F)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 584193458 PRWNYUKBSYCXHW-UONOGXRCSA-N 425.432 5.216 30 20 IKED C=CCOc1cccc(NC(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 588250865 IXVRVUILZRZUKX-KRWDZBQOSA-N 438.915 5.366 30 20 IKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cnn1-c1ccc(F)cc1 603766012 JDEQOYYBANSMEN-QFIPXVFZSA-N 444.897 5.881 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H]2c2cccc(Br)c2)c1C 603858474 FVAVOJBFYSPXHR-QFIPXVFZSA-N 440.385 5.150 30 20 IKED N#Cc1c(NC(=O)c2cc(Br)ccc2Cl)sc2c1-c1ccccc1CC2 603991987 KUEOAJUAIPSIOP-UHFFFAOYSA-N 443.753 6.054 30 20 IKED CCCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604156009 GAYFBTMICIIXKI-UHFFFAOYSA-N 447.922 5.381 30 20 IKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 604522853 JPKVCYRFKUXGQY-ATIYNZHBSA-N 441.531 5.982 30 20 IKED CCOc1ccc(/C=C2\CC(O)(C(F)(F)F)C/C(=C\c3ccc(OCC)cc3)C2=O)cc1 606376475 VYWCULQYUXXSLQ-IWGRKNQJSA-N 446.465 5.607 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)Nc1cc(C#N)ccc1OC(F)F 609082498 NBNMEKRCRABXFD-CYBMUJFWSA-N 428.464 5.474 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCCc4cc(OC(F)F)ccc43)c2)cc1 609643030 AUQZKLLRMZQMPY-UHFFFAOYSA-N 434.442 5.332 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)NC(c3cccs3)c3cccs3)c2)c1 609978994 XNMFVSQKCIDGHM-UHFFFAOYSA-N 430.554 5.780 30 20 IKED C[C@H](NC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1)c1cccc(C#N)c1 610324377 DBFGPCQREJPOIW-UQBPGWFLSA-N 438.531 5.418 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)o1 613392075 HXISNMFGYDJAGQ-LJQANCHMSA-N 425.469 5.344 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)sc2nc(C(F)(F)F)ccc12 614381756 XZQVLIWQJXDUGI-LLVKDONJSA-N 429.345 5.527 30 20 IKED N#CCCCn1cc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ccccc21 618179605 KPGVDBHIOINXJE-ZIAGYGMSSA-N 445.407 5.584 30 20 IKED N#C[C@H](Sc1nnc(S[C@@H](C#N)c2ccc(Cl)cc2)s1)c1ccc(Cl)cc1 619863825 IWHBGCJEZZQVAQ-HOTGVXAUSA-N 449.413 6.559 30 20 IKED O=C(NCCc1c[nH]c2cc(F)ccc12)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 622943406 SRFWEEWHCILDDL-VXGBXAGGSA-N 439.375 5.058 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC([C@H]2CCOC2)CC1 669815368 KBURSIJBZNXQJI-CVDCTZTESA-N 432.568 5.010 30 20 IKED O=C(Nc1cc(F)ccc1Br)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 675143259 ZGSZTWKUCSJMMO-HTQZYQBOSA-N 437.153 5.183 30 20 IKED N#C[C@H](C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1)c1nc2cc(F)ccc2s1 678572148 DOQHDJMTCOXIQY-CYBMUJFWSA-N 445.397 5.415 30 20 IKED Cc1ccccc1-c1nc(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)cs1 727559643 MLPIFPLBEQLMOE-UHFFFAOYSA-N 429.501 5.027 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)CCc2ccc(C#N)cc2)c(C(F)(F)F)c1 729655808 VCLKIOZYMJBDPU-UHFFFAOYSA-N 433.430 5.495 30 20 IKED CCOc1cc(/C=C\C(=O)c2csc(C(=O)O)c2)cc(Br)c1OC(F)F 730150679 WLWZQOUUZWRACH-ARJAWSKDSA-N 447.253 5.105 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(C2CCC2)C1=O)Nc1ccccc1F 730458613 AXCOGXMDZGTRDK-SFHVURJKSA-N 449.910 5.131 30 20 IKED Cc1cccc(C2(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)CCCC2)c1 731081018 SXFOKISQHAQSPD-LJQANCHMSA-N 436.577 5.383 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC([C@H](O)c4ccc(F)cc4)CC3)cc2)c1 731400622 RGNKOQXNFSDGOO-RUZDIDTESA-N 445.494 5.467 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC[S@](=O)c3ccccc3)n2)o1 733754325 XBNUHGNDBIXLSY-LJAQVGFWSA-N 436.480 5.440 30 20 IKED C[C@H](COc1cccc(C#N)c1)OC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 733862029 TZEVLVIRGWOBAO-CQSZACIVSA-N 440.908 5.150 30 20 IKED CN(C)C(=O)Sc1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1 734321208 MQKIHJVEASLCJW-UHFFFAOYSA-N 431.517 5.163 30 20 IKED Cc1cccc(C)c1NC(=O)COC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 735165359 IMPOFPWMXPVDMA-UHFFFAOYSA-N 434.879 5.416 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=S)Nc1ccc(OC(F)F)c(Cl)c1 735628531 QDJRAIGOISXHKL-LLVKDONJSA-N 427.929 6.002 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=S)Nc1ccc(OC(F)F)c(Cl)c1 735628532 QDJRAIGOISXHKL-NSHDSACASA-N 427.929 6.002 30 20 IKED Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C\c3nccc4ccccc34)cc2)cc1 740764302 QVHVQRZCHAVWQY-PFONDFGASA-N 428.513 5.240 30 20 IKED CS(=O)(=O)c1ccc(C(=O)/C=C\c2cccc(OCCCc3ccccc3)c2)cc1F 741847568 PZZJKOYUKLWRQN-OWBHPGMISA-N 438.520 5.137 30 20 IKED Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=S)Nc1ccccc1C#N 741863876 OWLWIMYPRFYMKH-UHFFFAOYSA-N 443.551 6.412 30 20 IKED CCC(CC)C(=O)N1CCC(=NOCc2ccc(OC)c(SC(F)(F)F)c2)CC1 742354786 NUVSHIFXCMRADM-UHFFFAOYSA-N 432.508 5.238 30 20 IKED CCn1c(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)nc2ccccc21 743237655 FCHAGCWOMSHFRI-UHFFFAOYSA-N 429.455 5.181 30 20 IKED C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1C(F)(F)F 744024931 FELDITBVXGIHMS-XHDPSFHLSA-N 442.409 5.471 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@H]1C[C@]12CCCc1ccccc12 744029691 UDRUZPKNDMVBCO-ZCUZBQTDSA-N 436.511 5.420 30 20 IKED C=CCN(CCc1ccccc1)Cn1nc(-c2ccncc2)n(-c2ccccc2)c1=S 744154082 XQPWIWDZHJFSCE-UHFFFAOYSA-N 427.577 5.153 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2cc(F)ccc2F)C2CCCC2)c1 751792328 DZDIWEUISOCNLC-NRFANRHFSA-N 427.495 5.300 30 20 IKED Cc1ccc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c(Sc2ccccc2)c1 752523726 FGFHLJVRMZSBEF-UHFFFAOYSA-N 443.572 5.231 30 20 IKED C=C[C@@H](CC(=O)O[C@@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)c1ccccc1 758913364 RKYUYXJKIFBOGL-ROUUACIJSA-N 448.544 5.231 30 20 IKED C#CCNC(=S)/C(=C(/O)c1ccc(CC(C)C)cc1)[n+]1ccc(Cc2ccccc2)cc1 759053641 DKHFBNATUAMXDG-UHFFFAOYSA-O 441.620 5.197 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(NC(C)=O)cc(C(F)(F)F)c2)cc1 761039146 SBJLYBQBLBAFMB-RNODOKPDSA-N 445.441 5.138 30 20 IKED N#CCc1ccccc1Cc1nc(-c2ccc(Oc3ccccc3C(F)(F)F)nc2)no1 762235680 SHULGOJFRMICFY-UHFFFAOYSA-N 436.393 5.600 30 20 IKED C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCC(c3cccnc3)CC2)c1=S 768459498 LXDIMYLCTHEEAK-UHFFFAOYSA-N 425.989 5.153 30 20 IKED C=CCC[C@H](NC(=O)NC1CCC(O)(c2cccnc2)CC1)c1ccc(C(F)(F)F)cc1 770449860 FNHQDORAKBBFEX-QKDPSFTKSA-N 447.501 5.237 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(COC(=O)/C=C\c2ccccc2C#N)cs1 775086421 WBNNSMABYRQUBL-KTKRTIGZSA-N 437.908 5.109 30 20 IKED CCOc1ccc(-n2c(-c3cccs3)nn(CN3CCC(C)(C#N)CC3)c2=S)cc1 779879023 IDINOMVDNYSDRY-UHFFFAOYSA-N 439.610 5.114 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)NCc2cccc(Cl)c2)sc1-c1ccc(F)cc1 786540288 SHSVAHHXHSYNSO-SFHVURJKSA-N 426.900 5.155 30 20 IKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccsc3)N([C@@H]3CCC(F)(F)C3)C2=O)cc1 790741239 HKRROKOLROOZHB-SJORKVTESA-N 449.548 5.205 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1nc(Br)ccc1F 791538571 CJCYVBDMZUXVBI-UHFFFAOYSA-N 426.245 5.208 30 20 IKED COc1ccccc1-c1ncc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cn1 792858131 IJPJJXRVBPEZCY-QNGOZBTKSA-N 449.535 6.185 30 20 IKED CN(C)C(=O)c1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cccs2)cc1 792924294 LQDYLXOCOTUPMN-PFONDFGASA-N 427.529 5.199 30 20 IKED FC(F)(F)c1cccc(-c2ccc(NN=Cc3c(C4CC4)nc4sccn34)nn2)c1 794980421 BEYPYNHVCWIMRX-UHFFFAOYSA-N 428.443 5.195 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)c1 799633947 JOZSURLLYNXIHE-HNNXBMFYSA-N 428.319 5.599 30 20 IKED CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1CN1CCC(C#N)(c2ccccn2)CC1 800527847 DCVFJBGSSUUXBX-UHFFFAOYSA-N 433.987 5.276 30 20 IKED N#CCOc1cccc(NC(=O)c2ccccc2OCc2ccccc2Br)c1 916410716 CFMUAQSTLZHRAR-UHFFFAOYSA-N 437.293 5.183 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)c1 916896898 QFMLYISAKNHSJF-IBGZPJMESA-N 448.935 5.318 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)/C=C\c2cc(Br)ccc2F)cc1 916948698 WLNGKRUJYMFUPC-XHSNUXHRSA-N 443.316 5.462 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnn(-c3cccc(Cl)c3)c2C)cc1 916951153 XIKUWEGBQFMQIM-VFNWGFHPSA-N 434.927 5.309 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(COc4ccc(F)cc4)n3)n2)cc1 916974946 SEQOXOTUIBFWKC-GOSISDBHSA-N 449.532 5.783 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(N3CCOC3=O)cc2)cc1 918387987 SGUBXFXSJNGGND-UHFFFAOYSA-N 429.501 5.059 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(N2CCCC2=O)cc1 921117773 CNMRFSGLOHRJPY-GOSISDBHSA-N 440.503 5.360 30 20 IKED N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)Cn2c(O)nc3ccccc32)cc1 1639324413 LPQUOEAADPLIPG-UHFFFAOYSA-N 434.908 5.057 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(C)=O)cc3)CCC2)cc1 1786104199 AJCUZZOSTQCOQC-UHFFFAOYSA-N 445.563 5.161 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)C3CCN(C(C)C)CC3)cc2)CCC1 1786663455 ZTCHOJOXDPYIKE-UHFFFAOYSA-N 437.628 5.009 30 20 IKED CC(C)c1ccc(C(=O)NC2(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC2)cc1 1789576264 PUIZIFPYPJEUSL-OGLMXYFKSA-N 443.547 5.270 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(C)s3)CCC2)cc1 1790570221 YULYCVCFBSSXRF-HHNLSAEISA-N 439.581 5.005 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3Cl)cc2)CCC1 1790667610 JQRWJBPGSMOLNG-HNNXBMFYSA-N 445.922 5.028 30 20 IKED C[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3)CCC2)cc1)c1cccs1 1791816260 PCAYLCDYRABULA-QGZVFWFLSA-N 429.545 5.171 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)CCc3ccc(C)c(F)c3)C2)CC1 1805953370 LKFHIFPLSOJKPF-QHCPKHFHSA-N 440.603 5.066 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC(F)(F)F)CC1 1823751241 NCGPZBWNRHSPIS-LJQANCHMSA-N 430.555 5.331 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)ccc2F)CC1 1823754806 CRDOKDUZHBIJOQ-QHCPKHFHSA-N 444.591 5.060 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C(C)=C/c2ccc(C)o2)CC1 1824143218 IQPMEQIIRRVXKO-UCDYPZRHSA-N 438.612 5.379 30 20 IKED Cc1ccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2ccc3c(c2)CCCC3)cc1 10173291 JJULRTJATWMZCS-UHFFFAOYSA-O 443.636 6.336 30 20 IKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1ccccc1)c1ccc2c(c1)CCC2 10179322 KQTWWUNKGYNGPK-UHFFFAOYSA-O 442.391 5.821 30 20 IKED Cc1ccc(Nc2nnc(SCC(=O)Nc3cc(Cl)ccc3C#N)s2)cc1C 10212346 PHAZZMIVTWOXJA-UHFFFAOYSA-N 429.958 5.154 30 20 IKED Cc1ccc(-n2c(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)nnc2-c2ccccc2)cc1C 10212472 SFPVRWMEMVNAHK-UQBPGWFLSA-N 447.608 5.086 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)n(C2CCCC2)c1C 12258293 PKPKKNIZTLKVST-UHFFFAOYSA-N 446.551 5.078 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)c2c(Cl)cccc2Cl)n(C2CCCCC2)c1C 16582122 YYLPKQSWCAUVPY-UHFFFAOYSA-N 448.350 5.584 30 20 IKED CCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1OCC 64714977 ZTHQVLAZKQNELT-HNNXBMFYSA-N 442.487 5.766 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 108902872 BEPLGZZTSZDMFN-UHFFFAOYSA-N 430.291 5.490 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 261419052 CXNRNAXYXCUHTQ-AWEZNQCLSA-N 430.455 5.395 30 20 IKED CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccccc1Sc1ccccc1C#N 427812351 QLLLTVDFGXRFFY-UHFFFAOYSA-N 445.544 5.062 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc(Cc2ccccc2)no1 429053673 FGGINRRFHGLYSO-KRWDZBQOSA-N 439.475 5.207 30 20 IKED Cc1c(NC(=O)c2ccccc2Sc2ccccc2C#N)cnn1-c1ccccc1F 435338919 LNFYESWXDQDVMV-UHFFFAOYSA-N 428.492 5.595 30 20 IKED C=CCC[C@H](NC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1)c1ccccc1 435766040 UHFTXSAAFOHDPQ-IRLDBZIGSA-N 434.515 5.472 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3C[C@H](c4ccc(C(F)(F)F)cc4)C3)cc2)nc1 437457863 FWYAHWPWPYSQAP-KESTWPANSA-N 437.421 5.440 30 20 IKED CC(C)C[C@H]1COCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 437961844 IJGZFAIHRUEYKY-FQEVSTJZSA-N 427.932 5.069 30 20 IKED CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)[C@@H](C)c1cccc(O)c1 438187690 QDYUBIJAMIMEJL-KRWDZBQOSA-N 431.492 5.680 30 20 IKED C=CCC[C@@H](NC(=O)N[C@H](C)c1nnc2n1CCCCC2)c1ccc(C(F)(F)F)cc1 440817645 DHNKHOWKUYMYGO-CRAIPNDOSA-N 435.494 5.091 30 20 IKED C=CCC[C@H](NC(=O)NCc1cccc(C(=O)NC2CC2)c1)c1ccc(C(F)(F)F)cc1 441513690 JFVMLHWJFKQXAS-NRFANRHFSA-N 445.485 5.104 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@H](C)c2cc3ccccc3o2)n(Cc2ccccc2)c1C 442886179 NWQNZQHIZHWNBZ-GOSISDBHSA-N 426.520 5.060 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@H]2CC(=O)c2cccs2)c1 443667354 HMGQBWAWNNLYRU-NRFANRHFSA-N 430.529 5.076 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 443953061 QFOIBTTZHARMNO-UHFFFAOYSA-N 447.882 5.616 30 20 IKED C=C(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H]1c1csc(C)n1 460573151 KHJNBBHMVCXOQJ-OAQYLSRUSA-N 431.569 5.018 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc1 464404015 CLPXJVOWLQHZFV-QGZVFWFLSA-N 425.341 5.394 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N(CCC(F)(F)F)CC(F)(F)F)cc1 468548502 OVCRKVMHVOCVGT-UHFFFAOYSA-N 432.389 5.666 30 20 IKED N#Cc1cc(NC(=O)c2cnn(-c3ccncc3)c2C(F)F)ccc1Oc1ccccc1 469814225 OXFZYNKPVCRTEN-UHFFFAOYSA-N 431.402 5.121 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCc1nnc(-c2ccccc2Br)o1 471656497 CHMQLFCLXSNRMO-CYBMUJFWSA-N 429.343 5.505 30 20 IKED C=CCC[C@@H](NC(=O)N1CCSC2(CCOCC2)C1)c1ccc(C(F)(F)F)cc1 472794941 QFQABOOSGYZCMU-GOSISDBHSA-N 428.520 5.020 30 20 IKED COc1cc(F)c(C(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1OC 474276701 XIKFCXATMQBNRI-CQSZACIVSA-N 439.327 5.285 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)N(Cc2ccccc2)Cc2ccco2)CC1 479171425 WZMQPUFGPLQEGC-UHFFFAOYSA-N 429.520 5.253 30 20 IKED C=C(C)Cn1c(S[C@@H](C)C(=O)N[C@@H](CCC)c2ccccc2)nnc1-c1ccncc1 481357435 HEOUJSQCRQHQJO-RXVVDRJESA-N 435.597 5.054 30 20 IKED COCc1cc(CNC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)ccc1F 482330716 VMZGGVPHESCBSF-MRXNPFEDSA-N 438.343 5.094 30 20 IKED C[C@H](c1ccc2ccccc2c1)N(C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)C1CC1 483599387 FDAKVPYDISIQQU-QZTJIDSGSA-N 447.560 5.283 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C)c(-c2ncco2)c1 483794529 PZOFNLZOGQULQH-UHFFFAOYSA-N 444.304 5.772 30 20 IKED O=C(Nc1cc(F)cc(NC(=O)c2cc(F)c(F)c(F)c2)c1)c1cc(F)c(F)c(F)c1 485215705 WUDUYDXGOZUVNY-UHFFFAOYSA-N 442.290 5.165 30 20 IKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)Cc1cc(C#N)ccc1Br 492530117 DSGJSGNDMIEIPN-UHFFFAOYSA-N 445.748 5.436 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)NCC(C)(C)CCC#N 499184307 FPGDHEVAHOWHML-CQSZACIVSA-N 449.418 5.571 30 20 IKED Cc1sc([C@H](C)NC(=O)NC2(c3cccc(C#N)c3)CC2)nc1-c1ccc(Cl)cc1 499222821 NPGPOVCWDAUJQE-AWEZNQCLSA-N 436.968 5.693 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4nc(C)c(SCC#N)s4)cc3)o2)cc1 504768913 BWOIVRJSQZHIKC-UHFFFAOYSA-N 447.545 5.345 30 20 IKED CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1 505944306 RLJDUGPLIWRWKK-FQEVSTJZSA-N 432.351 5.250 30 20 IKED Fc1cccc(F)c1[C@H](NCc1coc(-c2ccc(C(F)(F)F)cc2)n1)C(F)(F)F 506270446 OIFXTVQGIKZBOQ-INIZCTEOSA-N 436.302 6.032 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[C@H](C2CCOCC2)C1 508800790 HSLDDBNKLIWVFF-CVDCTZTESA-N 432.568 5.010 30 20 IKED CC(C)(C)c1ccc(C(=O)Nc2ccccc2NCC(=O)Nc2ccc(CC#N)cc2)cc1 511087190 VUFSCZIKAQMCMH-UHFFFAOYSA-N 440.547 5.353 30 20 IKED N#C[C@H](NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1cccc(Cl)c1Cl 511177187 XOQCXRGONIDXAS-KRWDZBQOSA-N 432.694 5.829 30 20 IKED Cc1ccc(Sc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)cc2[N+](=O)[O-])cc1 513656213 ZAPMWJLENKRDAY-GOSISDBHSA-N 442.500 5.431 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1ncc(-c2ccc(Cl)cc2)o1 517447456 GYIYYARYQKOWQO-CQSZACIVSA-N 443.981 6.120 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(OCc4ccccc4)CC3)cc2)c1 520937471 ARLVKLQHDATVIA-UHFFFAOYSA-N 427.504 5.564 30 20 IKED CN(C)[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccc(Cl)c1 522068243 GWONYCYYWLTXTB-HSZRJFAPSA-N 437.902 5.171 30 20 IKED C=CCN(C(=O)C[C@@H](C)c1cccnc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 522887740 IZMMCFJHRNUTRM-CQSZACIVSA-N 432.376 6.225 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 523971405 CHXCVPWJXJTAOB-UHFFFAOYSA-N 432.867 5.334 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1NC(=O)Nc1ccccc1 524943191 XZOBEBKCDLCAEC-KRWDZBQOSA-N 444.560 6.143 30 20 IKED CCN(C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)[C@@H](C)c1ccc(C#N)cc1 525142968 BFCVTINHXXDWIP-AWEZNQCLSA-N 441.318 5.671 30 20 IKED C=CCn1c(SCc2ncc(-c3ccccc3F)o2)nc2cc(Cl)ccc2c1=O 525623254 OOZBOQZWUGKTFU-UHFFFAOYSA-N 427.888 5.322 30 20 IKED CCCOc1ccc(C(=O)CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 534944988 QNOMYRVNZWYTMO-UHFFFAOYSA-N 444.556 5.252 30 20 IKED N#CC1(CCCSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)CCOCC1 539709585 DSTGJDQMOAVPEB-UHFFFAOYSA-N 442.972 5.432 30 20 IKED C[C@H](NC(=O)c1cccc(CNc2ccncn2)c1)c1ccc(-c2cccc(C#N)c2)cc1 543612237 SKIWQVPJYQEMAV-IBGZPJMESA-N 433.515 5.118 30 20 IKED C[C@H](NCc1nnc(C(=O)Nc2ccccc2)s1)c1ccc(-c2cccc(C#N)c2)cc1 543876936 LCPPJJINFOOMPK-KRWDZBQOSA-N 439.544 5.180 30 20 IKED COc1ccc2c(c1)c(C(=O)Nc1ccc(C#N)cc1OC)c(C)n2Cc1ccccc1 545298085 SZYKYURRPJKYFL-UHFFFAOYSA-N 425.488 5.139 30 20 IKED CCC[C@H](NC(=O)c1ccccc1)c1noc(/C=C\c2cn(CCC#N)c3ccccc23)n1 545780979 DFAISRPEHZWQSD-MTVZPNFRSA-N 439.519 5.380 30 20 IKED COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1C 546644026 FOVIOHHDTNOVDD-UHFFFAOYSA-N 434.879 5.546 30 20 IKED COc1cc(C#N)ccc1NC(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C 546710061 GTMFUMOBDWZPAP-UHFFFAOYSA-N 431.521 5.182 30 20 IKED C[C@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@@H](C)c1ccccc1C(F)(F)F 552135834 JIQVMWFKEODGIJ-CVEARBPZSA-N 447.476 5.241 30 20 IKED C[C@@H](NC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(F)cncc1F 554001091 JRXLVGRAQXYWJB-SECBINFHSA-N 441.322 5.300 30 20 IKED Cc1c(C(=O)NCCCCc2nc(-c3cccnc3)cs2)sc2ccc(C#N)cc12 555835619 WSVJBLFMMPKVOD-UHFFFAOYSA-N 432.574 5.353 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cnc2c(F)ccc(F)c2c1 557320513 VMMGFZWCFIGMEO-UHFFFAOYSA-N 437.393 5.790 30 20 IKED COc1ccc(-c2nc3c(s2)[C@@H](NC2CCN(c4ccc(C#N)cc4)CC2)CCC3)cc1 560525033 WNXIURUIGAUKMS-QHCPKHFHSA-N 444.604 5.326 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)c1ccc(Oc2cccnc2)cc1 568439989 HJFHHEXHUBNKRX-OALUTQOASA-N 446.576 5.415 30 20 IKED COc1c(NCc2cccc(OCc3cccc(C#N)c3)c2)cc(Cl)cc1C(=O)N(C)C 576058110 ZKLHJVQUJZLDNR-UHFFFAOYSA-N 449.938 5.113 30 20 IKED COc1ccccc1[C@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)OC(C)C 581755969 NQQZAIHTZMRVAY-DEOSSOPVSA-N 446.507 5.042 30 20 IKED Cc1sc2ncnc(SCC(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c2c1C 603622742 XTYYHZIOIPOAOX-UHFFFAOYSA-N 447.545 5.098 30 20 IKED C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 603758688 ATVDARRDXXSEGY-ZGNKEGEESA-N 443.934 5.842 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](c4cc5ccccc5[nH]4)C3)cc2)cc1 604461465 ZQIHGLFDDWNUJR-NRFANRHFSA-N 436.515 6.243 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@@H](C(=O)c4ccc(F)cc4)C3)cc2)cc1 606416082 KTOCLTGVDBSJDG-JOCHJYFZSA-N 442.490 5.419 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(C2CC2)nc2ccc(F)cc12 608110296 LFEFUBLYPIVOHI-VXGBXAGGSA-N 448.382 5.891 30 20 IKED CC(C)OC(=O)c1ccc(Cl)c(NC(=O)c2occc2COc2cccc(C#N)c2)c1 608898287 UNZMOYZPMWWGEL-UHFFFAOYSA-N 438.867 5.201 30 20 IKED CC(=O)N[C@@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1c(F)cccc1F 608939822 AIGYYBVVMKAADT-QHCPKHFHSA-N 449.457 5.143 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCO[C@H](c4cccc(F)c4)C3)c2)cc1 608994244 IXQFZGPCQRMFFB-VWLOTQADSA-N 445.494 5.076 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)CSCc3cc(-c4cccs4)on3)c2)cc1 609176384 JNJFVLBWMNBXFT-UHFFFAOYSA-N 447.541 5.939 30 20 IKED CN(C(=O)c1oc2ccccc2c1COc1ccccc1Cl)c1ccc(C#N)cc1F 609216036 COULEEUZOHURJR-UHFFFAOYSA-N 434.854 5.953 30 20 IKED N#CCCSc1ccccc1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 609378760 NJLWZAKELPBUKA-JOCHJYFZSA-N 429.545 5.192 30 20 IKED Cc1onc(-c2ccccc2Cl)c1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 609509237 VUVAWQVLGABUIF-UHFFFAOYSA-N 435.911 5.295 30 20 IKED CC(C)c1nc(CCNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cs1 609731388 LKIAQZXIHPCHBE-UHFFFAOYSA-N 425.941 5.556 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)cc1 609928951 NCEXAAWSZRDSJD-XLIONFOSSA-N 445.494 5.908 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 610053881 UPSZYTNTPIVIIM-UHFFFAOYSA-N 431.496 5.184 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cnc(-c3ccncc3)s2)cc1 610172273 KCMWXBVNQLYKHW-UHFFFAOYSA-N 426.501 5.102 30 20 IKED C[C@H](NC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1)c1cccc(C#N)c1 610363287 FBWCBGFEYDYBNO-NRFANRHFSA-N 440.543 5.063 30 20 IKED N#Cc1ccc(CCC(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)cc1 612502354 XICUROMEKCIDON-QGZVFWFLSA-N 425.248 5.063 30 20 IKED CC(C)(C)[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1 618556635 DNYNZHZILPIQDG-GUTXKFCHSA-N 428.392 5.685 30 20 IKED Cc1ccc(F)cc1C(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622516766 PLCPJJITSBTXHH-QGZVFWFLSA-N 435.339 5.385 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)oc2ccc(Br)cc12 642282703 XLOKKMZQMZLDDG-ZDUSSCGKSA-N 444.235 5.739 30 20 IKED O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)N1CCO[C@@H](c2ccc(F)cc2F)C1 681772139 YTLUGKQXCLHMCN-MRXNPFEDSA-N 436.327 5.224 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=S)Nc2ccc(C#N)c(Cl)c2)CC1 726481275 AIXZUSIKDORIDN-LJQANCHMSA-N 449.020 5.020 30 20 IKED Cc1cc(/C=C(\C(=O)C(=O)O)c2ccc3ccccc3n2)cc(C)c1OCc1ccccn1 728156614 KLCOVOSVHZZFTD-JCMHNJIXSA-N 438.483 5.020 30 20 IKED N#C[C@H](C(=O)c1sc2cc(Br)ccc2c1Cl)c1nc2ccccc2o1 729891529 LAGHCMVBZCGLDL-LLVKDONJSA-N 431.698 5.948 30 20 IKED Cc1ccc(C)c(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c1 730421476 KQQPZFVNARSTBV-MRXNPFEDSA-N 436.537 5.207 30 20 IKED COc1ccc(-c2nc3c(s2)[C@H](NC(=O)c2ccccc2SCC#N)CCC3)cc1 731652396 LNMZXRWRQGKDQT-GOSISDBHSA-N 435.574 5.242 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccccc2)[C@H](C)c2ccccc2)c1 733805658 SYZUXAYELGZKTL-BWKNWUBXSA-N 427.548 5.841 30 20 IKED CCOc1cc(/C=C\C(=O)c2c[nH]c3ccc(OC)cc23)cc(Br)c1OC 734307064 LHJGWPFBOPTUOU-YVMONPNESA-N 430.298 5.242 30 20 IKED CC(C)(C)c1ccc([C@H](O)CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 734930965 ZLLASDDGMDGDFT-LOSJGSFVSA-N 427.548 5.495 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cccc(N3CCOC3=O)c2)c1 734997420 QHMVLDBWMGHAHN-UHFFFAOYSA-N 433.851 5.213 30 20 IKED Cc1cc(-n2c(C)cc(C(=O)CSCc3cc(Cl)ccc3OCC#N)c2C)no1 735320019 ITUJFCQVNACDMP-UHFFFAOYSA-N 429.929 5.062 30 20 IKED CC(=O)c1ccc(-c2ccc(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)o2)cc1 739594722 PAXDUQNLIBVXPS-UHFFFAOYSA-N 426.497 5.679 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)NCc3ccnc(OC4CCCC4)c3)c2)s1 740032512 XIBQYFIDJFXITE-UHFFFAOYSA-N 432.549 5.003 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1nc(-c2ccncc2)cs1 741437869 KNEMNGFQMZWHAX-BZUAXINKSA-N 429.423 5.084 30 20 IKED COc1ccc(-c2ccc(/C=C/C(=O)c3c(Cl)nc4sccn34)o2)c([N+](=O)[O-])c1 741845570 YVAGNDKPKUZWCI-ZZXKWVIFSA-N 429.841 5.122 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 743708723 ZOCOLIASIDMGCQ-INIZCTEOSA-N 437.931 5.190 30 20 IKED O=C(C=NOCc1csc(-c2ccc(C(F)(F)F)cc2)n1)Nc1ccc(F)cc1F 744179291 LTBPFTIVYXNNKY-UHFFFAOYSA-N 441.381 5.248 30 20 IKED Cc1c(C(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)oc2ccc(Cl)cc12 744517672 SJPWJKGYIYOONM-AWEZNQCLSA-N 428.847 5.026 30 20 IKED CC1(C)CC[C@@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2ccccc21 747007646 YEBSWDSRBFEASU-UKILVPOCSA-N 437.543 5.209 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2ccc(-c3noc(CC(C)(C)C)n3)cc2)cc1C#N 752200318 PXYSOXBBVXLGEW-UHFFFAOYSA-N 447.495 5.018 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Cc2cc3c(ccc4ccccc43)o2)ccc1OC 753154255 WTTLJLPCPCVOGH-LJQANCHMSA-N 428.488 5.134 30 20 IKED C(=NOCc1csc(CCc2ccccc2)n1)c1cccc(OCc2ccncc2)c1 753173538 ZBXUWOWCOWLSSS-UHFFFAOYSA-N 429.545 5.453 30 20 IKED COc1ccc(/C=C(\C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1F 755609940 LPUGRCZVUAJMLH-OIOXUXFSSA-N 434.414 5.743 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)Nc3ccccc3-c3cc(F)c(F)c(F)c3)CCO2)c1 761878299 BRVVWXNMBJJCBH-QFIPXVFZSA-N 437.421 5.248 30 20 IKED N#CCSc1ccccc1C(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 762725017 NPXUKRGVGYJQEN-UHFFFAOYSA-N 435.254 5.802 30 20 IKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H]2CCC(F)(F)C2)c1 763205244 MMVXCAMLHYVKOI-OALUTQOASA-N 443.519 5.143 30 20 IKED COC(=O)c1cc(Cl)ccc1C(=O)/C=C/c1ccc(OC)cc1OCc1cccnc1 766490415 IOSHCJCMFZPKKM-UXBLZVDNSA-N 437.879 5.005 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2ccnc2)cc1 768971418 VLKHIQQTPRQNOW-PVHODMMVSA-N 447.542 5.589 30 20 IKED COc1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)cc1NC(=O)OC(C)(C)C 770527939 GXRPOCXAEVHYEX-UHFFFAOYSA-N 447.539 5.431 30 20 IKED C#CCOc1ccccc1NC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 776093728 XNJHCMFYKWWCLM-UHFFFAOYSA-N 439.437 5.347 30 20 IKED CC(C)(C#N)CCCOC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O 782791805 CURBPZHJIDGLBE-UHFFFAOYSA-N 445.302 5.281 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nn(CN2CCC(c3ccc(C)nc3)CC2)c1=S 782940476 FYFOHBYSROUGLO-UHFFFAOYSA-N 449.624 5.028 30 20 IKED C[C@@H](OC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1nnc(-c2cccc(Cl)c2)o1 784966543 CSWBWNFQQRWWDQ-OAHLLOKOSA-N 447.882 5.085 30 20 IKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccsc2)N(C2CCC2)C1=O 790738287 GSNMZKOJALLODM-QGZVFWFLSA-N 433.986 5.223 30 20 IKED N#Cc1ccc(-c2nnc(CSc3nc4cccc(Br)c4s3)o2)cc1 794513379 IZJKPRARWIWIKC-UHFFFAOYSA-N 429.324 5.273 30 20 IKED C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797567924 CPLANZBQUSJXNE-SWLSCSKDSA-N 429.998 5.999 30 20 IKED N#Cc1cccc(-n2ccc(C(=O)O[C@@H](c3cccnc3)c3cccc(C(F)(F)F)c3)n2)c1 798845951 PHUVARDQQZCUQZ-JOCHJYFZSA-N 448.404 5.104 30 20 IKED N#CC1(CCCOC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CCOCC1 800077549 SXODQACOJFQYRU-UHFFFAOYSA-N 426.494 5.003 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)OCCCC1(C#N)CCOCC1 800137309 KJVWLSKLFNWBTN-UHFFFAOYSA-N 446.956 5.220 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(Cl)c2ncccc12 802039926 BFEYICBVHNAWLR-OAHLLOKOSA-N 431.851 5.164 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(CCCCF)C2=O)c1 812220610 PXUPNJWDYZDRFS-FQEVSTJZSA-N 445.535 5.153 30 20 IKED N#CCCC[C@@H](NC(=O)C(=O)Nc1ccccc1SCc1ccccc1)c1ccccc1 815788728 MTSRIJIYYCEWJW-JOCHJYFZSA-N 443.572 5.469 30 20 IKED Clc1ccc(CSc2nncn2N=Cc2ccccc2OCc2ccncc2)cc1 914693518 GDHNODNSOYUVGQ-UHFFFAOYSA-N 435.940 5.080 30 20 IKED CC[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)N1CCc2ccccc2C1 915352383 HGSNWFXPHHOOIJ-KAYWLYCHSA-N 438.575 5.300 30 20 IKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)c1 916207786 LKHZAHADLWMBIV-GOSISDBHSA-N 447.482 5.137 30 20 IKED CC(C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1 916211268 BCQPXJKVRKAGDY-SFHVURJKSA-N 433.936 5.095 30 20 IKED Cc1nn(-c2ccccc2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)cc12 916908149 YVXVYRLOVAYOPM-INIZCTEOSA-N 434.908 5.010 30 20 IKED COc1cccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 916995688 CHEPRRINNMTOKU-MRXNPFEDSA-N 433.316 5.381 30 20 IKED Cc1ccc(C)c(C(=O)CCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 917043507 MHNUCKFOEMZMLK-MRXNPFEDSA-N 430.451 5.771 30 20 IKED CC(=O)Nc1ccc(S[C@H](C)C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 917046860 VBDHIPLSLQZJHG-BDJLRTHQSA-N 429.954 5.265 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc2c(c1)CCO2)C(=O)c1ccccc1 917519136 KRSIINUKYJJSGV-HKOYGPOVSA-N 425.528 5.651 30 20 IKED CCC(CC)c1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)NC(C)(C)C)cc1 917613381 LKIVYGQPAJWYEL-UHFFFAOYSA-O 442.649 5.471 30 20 IKED CCc1cc(C#N)c(NC(=O)c2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)s1 917880433 CNPRYBXVRWFCIJ-UHFFFAOYSA-N 444.512 5.428 30 20 IKED CCCC(=O)N1CCC[C@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 918488547 BSXOKMBFAAEWRD-PBHICJAKSA-N 436.364 5.084 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(Cc4ccccc4)n3)n2)cc1 920138793 JRVZYDPSSUSYGF-FQEVSTJZSA-N 445.569 5.285 30 20 IKED Cc1cccc(-c2nc(CC(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cs2)c1 920140502 HMVWFSQNLXYACK-HXUWFJFHSA-N 440.553 5.533 30 20 IKED CCn1cc(C(=O)/C=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)cn1 920991960 UPRXZONVZILOPA-KTKRTIGZSA-N 441.325 5.149 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cn(C)c4ncccc34)cc2)CCC1 1789398195 QIZMEPUOZQUHFH-OAQYLSRUSA-N 442.563 5.089 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5sccc5[nH]4)CCC3)cc2)c1 1790257430 YHFLFZYVYPLMBQ-UHFFFAOYSA-N 440.528 5.163 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)C[C@@H](C)Oc3ccccc3)CCC2)cc1)C(F)(F)F 1791305136 AGWAIOCDRJJUHN-MRXNPFEDSA-N 446.469 5.097 30 20 IKED C[C@H](CC(=O)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1)c1ccccc1 1791337260 CCHMJQFNSCLYOV-CLCAUBNZSA-N 443.547 5.026 30 20 IKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)/C(C)=C/c3cccs3)C2)CC1 1804805511 YICFEIWTOGIDGM-CZIZESTLSA-N 426.626 5.151 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3occc3c2)CC1 1828827983 AWJGQZWEMABJIT-RPWUZVMVSA-N 434.580 5.435 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3ccoc3c2)CC1 1830909031 RXGWNOHFYQNKRT-DNQXCXABSA-N 434.580 5.435 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(Cl)c2)CC1 1831447367 JYKJKHWCSWALDC-FQEVSTJZSA-N 438.946 5.093 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)cc2OC)CC1 1832583984 SGWHHAKLSKALID-ISKFKSNPSA-N 438.612 5.005 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2cc(C)cc(C)c2)cc1 10172682 NMRQFEPYGNRBFX-UHFFFAOYSA-O 437.654 6.273 30 20 IKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2cccc(O)c2)cc1 10832728 WEGQXIXBGGOETD-UHFFFAOYSA-O 425.961 5.507 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)nc2sc(C)c(C)c2c1=O 16715520 MPNOAFXTTYDBGH-INIZCTEOSA-N 441.622 5.504 30 20 IKED C[C@@H](OC(=O)c1oc2ccccc2c1COc1ccccc1)C(=O)Nc1ccccc1C#N 21606124 JDMFBCNWGSBJKQ-QGZVFWFLSA-N 440.455 5.067 30 20 IKED C=CCN/C(S)=C(\C(=O)c1ccc(C(C)(C)C)cc1)[n+]1ccc(Cc2ccccc2)cc1 22687457 OAODAKGKIBYYTL-UHFFFAOYSA-O 443.636 5.577 30 20 IKED COc1ccc(Br)cc1-c1nc(COC(=O)c2ccccc2CC#N)cs1 23895791 GNLJWVXIRJPDES-UHFFFAOYSA-N 443.322 5.004 30 20 IKED C[C@@H](Sc1nccn1-c1cccc(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCC2 25410214 QRYIPFDHQYFGDY-GFCCVEGCSA-N 428.970 5.067 30 20 IKED N#Cc1cccc(NC(=O)CCSc2nnc(-c3cccs3)n2Cc2ccccc2)c1 26220898 QHYGVDSHKAMNHC-UHFFFAOYSA-N 445.573 5.047 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2c(C)cccc2C)c1 28780457 BAHYTPHSZSAYAD-UHFFFAOYSA-O 444.407 6.257 30 20 IKED C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(OCc2cccnc2)cc1 60975907 BARPSFDNDDGNSS-QFIPXVFZSA-N 449.554 5.962 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCc1cn2cc(Cl)cc(Cl)c2n1 109865674 SUWJDZAKWINLDE-UHFFFAOYSA-N 430.364 5.302 30 20 IKED N#Cc1ccc(N2CCC(NCc3ccc(-c4ccc(C(F)(F)F)cc4)s3)CC2)nc1 237729577 WJOGAQACLWOCBA-UHFFFAOYSA-N 442.510 5.459 30 20 IKED CCSc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)ccn1 410051139 WOMBBANLLIESEM-UHFFFAOYSA-N 448.495 5.384 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)N[C@@H]3CCCc4sc(Cl)cc43)CC2)c(F)c1 426071594 UAHMYPJYMSYTBB-QGZVFWFLSA-N 433.936 5.043 30 20 IKED CN(C(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccc(OCc2ccccc2)cc1 428940486 QLCBQNUFTVRXTC-UHFFFAOYSA-N 436.515 5.319 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ccc(Br)cc1C(F)(F)F)c1ccccc1 432913420 ZLKCMVVLLZVKHH-MRXNPFEDSA-N 440.263 6.025 30 20 IKED CC(C)Oc1ccc(NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1Cl 437442967 SGLXJBUNFKEURL-AWEZNQCLSA-N 431.945 5.099 30 20 IKED Cc1nc(C2(NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CCCC2)no1 437726767 AXTGNEDXLRFTMK-IBGZPJMESA-N 435.915 5.278 30 20 IKED CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)s1 437876105 VCRXKJIBWDIOEA-LBPRGKRZSA-N 426.464 5.052 30 20 IKED N#Cc1ccc(NC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1C(F)(F)F 438636919 QPCAHWIJTAIJLG-UHFFFAOYSA-N 430.455 5.598 30 20 IKED N#Cc1ccc(NC(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)cc1C(F)(F)F 438642202 PJBFWVLOUMQCHK-UHFFFAOYSA-N 430.361 5.225 30 20 IKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 439310668 VGARKPMMDAEVAF-IBGZPJMESA-N 441.531 5.513 30 20 IKED C=CCC[C@@H](NC(=O)NCC(=O)Nc1c(C)cccc1C)c1ccc(C(F)(F)F)cc1 441536740 YGFZSJIWZXTAAJ-LJQANCHMSA-N 433.474 5.267 30 20 IKED N#C[C@H](C(=O)c1ccncc1Oc1ccccc1)c1nc(-c2c(F)cccc2F)cs1 442508665 MIBNSJUJEQBUGD-MRXNPFEDSA-N 433.439 5.766 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(-c4ccc(OC)cc4)s3)n2)cc1 442855330 BNVXLTINUOEAMM-SFHVURJKSA-N 447.541 5.441 30 20 IKED N#CCCN(C(=O)CCc1ncc(-c2ccccc2Cl)o1)C12CC3CC(CC(C3)C1)C2 460466958 OSYSVZATNYBACZ-UHFFFAOYSA-N 437.971 5.639 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2)o1 461358017 GHNGYFJKRIKZJY-UHFFFAOYSA-N 436.899 5.156 30 20 IKED Cc1ccc([C@@H](Nc2nc(C)c(C#N)cc2Cl)c2cccc(S(C)(=O)=O)c2)c(C)c1 461951008 WAUNXWGYLFSTCU-QFIPXVFZSA-N 439.968 5.137 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)cc1 464735566 OEVBVRBLCZJLBG-GOSISDBHSA-N 438.487 5.124 30 20 IKED N#C[C@H]1N(C(=O)c2ccc(-c3ccc(Br)cc3)s2)CCC[C@]12CCCCO2 468657712 CVSREZKNYHYYIL-TZIWHRDSSA-N 445.382 5.245 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(-c3ccco3)cc2F)cc1C 470543720 ODWDMEZORMCERF-UHFFFAOYSA-N 428.467 5.732 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H](Oc3ccccc3)c3ccccc3)ccc21 470773170 NIMHYQBKIVGBIR-AREMUKBSSA-N 439.515 5.028 30 20 IKED CCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cnn1C1CCCC1 475502167 JNOCOVYSHFYFNL-UHFFFAOYSA-N 432.499 5.403 30 20 IKED C[C@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1cccc(C(F)(F)F)c1 476621741 BUUOWDBMWWZQRJ-VMEOHVCESA-N 431.458 5.327 30 20 IKED C=C(C)[C@H](NC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)c1ccc(F)c(F)c1 477680393 MSZIMMCQAAJREF-INIZCTEOSA-N 432.776 5.009 30 20 IKED C[C@H](Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)C(=O)N(CCC#N)c1ccccc1 481700983 YYQYUMSASQCKKW-HNNXBMFYSA-N 444.482 5.576 30 20 IKED COCCN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nc2ccccc2s1 482381212 NKNOZXAWJGZDOR-UHFFFAOYSA-N 429.501 5.253 30 20 IKED CCCc1c(NC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)cnn1-c1cccc(C#N)c1 484676069 FSZLXWHXRYYUDY-IBGZPJMESA-N 433.478 5.139 30 20 IKED CCc1c(NC(=O)N[C@H](CCC#N)c2ccccc2)cnn1-c1ccc(C(F)(F)F)cc1 484845857 PMLSWRUZNPDJAG-LJQANCHMSA-N 441.457 5.620 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCO[C@H](c4ccc(F)c(Cl)c4)C3)c2)cc1 486526388 MLVFVOFZKJBFLR-QHCPKHFHSA-N 436.870 5.357 30 20 IKED COc1ccc(C(=O)Nc2ccc(C(=O)N[C@@H](CCCC#N)c3ccccc3)s2)cc1 487573621 KJPMAEUYZLOUMJ-FQEVSTJZSA-N 433.533 5.174 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CSc2ccc(Br)cc21 488334835 XBDPFJTUCSFOQR-WBMJQRKESA-N 448.411 5.812 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3nc(-c4cccc(Cl)c4)no3)o2)cc1 489756767 FISAROXZFMBAQF-UHFFFAOYSA-N 426.885 5.297 30 20 IKED O=C(Nc1cc(F)c(OC(F)F)cc1F)c1cccc(-n2nccc2C(F)(F)F)c1 490265496 ADLMLMAGBPXFCM-UHFFFAOYSA-N 433.283 5.023 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H](CN2CCCCCC2)C1 491722500 QUBIANFKCIJQNT-HSZRJFAPSA-N 446.595 5.779 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)cc1C 497520113 NUMWFDXPQUKZPW-QGZVFWFLSA-N 438.478 5.173 30 20 IKED C=CCN(C(=O)c1nc(CC)n(-c2ccccc2Cl)n1)c1nc(-c2ccccc2)cs1 498299573 RDXVIGJAVZFFHF-UHFFFAOYSA-N 449.967 5.439 30 20 IKED N#CCCN(Cc1ccco1)C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 502529781 LMHGZYBQWLMPSW-UHFFFAOYSA-N 442.302 5.395 30 20 IKED CC(=O)N1CCc2cc(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)ccc21 502587129 HLUYMZKFFBJCGM-UHFFFAOYSA-N 446.894 5.557 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@@H](c4ccccc4F)C3)c2)cc1 504023222 VCAPJGPURUIDAG-OAQYLSRUSA-N 429.495 5.492 30 20 IKED Cc1nc(NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)sc1SCC#N 504787966 VKVZZWVMAMUWRS-UHFFFAOYSA-N 436.584 5.366 30 20 IKED O=C(Nc1ccc(F)cc1OCCC(F)(F)F)NC12CCC(C(F)(F)F)(CC1)CC2 505818101 MIIYSOSSSXZVQL-UHFFFAOYSA-N 442.375 5.934 30 20 IKED COc1ccc(C(=O)CCCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 510267617 FSIWKXBUACZZED-UHFFFAOYSA-N 428.488 5.659 30 20 IKED N#C[C@@H](C(=O)c1sc(-c2ccccc2)nc1-c1ccccc1)c1ccc(C(F)(F)F)cn1 513157095 YNKBENSJUKBHGK-GOSISDBHSA-N 449.457 6.381 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)c12 513211370 XRRXOLDTSVCLMW-MRXNPFEDSA-N 441.457 5.276 30 20 IKED Cc1ccc(-n2ncc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)c2C2CC2)cc1Cl 513666017 JHNLNMIACKMVKX-QGZVFWFLSA-N 429.911 5.088 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O 515456750 PQGZVGQXBCLNHQ-UHFFFAOYSA-N 442.490 5.072 30 20 IKED COc1ccc(Oc2cc(CNC(=O)Nc3ccccc3SC[C@@H](C)C#N)ccn2)cc1 517473045 HHTYFAOBPOYZBD-KRWDZBQOSA-N 448.548 5.456 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(c2cccc(F)c2)CCCCC1 517765710 YZDWXMXQKAYWDV-UHFFFAOYSA-N 429.495 6.034 30 20 IKED Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 517860475 MEXINAXFOIJCMY-OAQYLSRUSA-N 443.503 5.020 30 20 IKED N#C[C@H](C(=O)c1ccc(CN2CCCC2=O)cc1)c1nc(-c2ccc(Cl)cc2)cs1 519350786 UYSOKMDULNLWHA-LJQANCHMSA-N 435.936 5.076 30 20 IKED C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](c2cccs2)C1 519833917 DCUGCRCNKYJMBG-IBGZPJMESA-N 426.611 5.094 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 520153695 SVFNQJREUHLLLI-IBGZPJMESA-N 432.593 5.919 30 20 IKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 520266071 CNTITQTVXRGXJV-HNAYVOBHSA-N 448.464 5.088 30 20 IKED N#C[C@H](NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 520271412 KUZUFJOFHKWMGQ-INIZCTEOSA-N 439.224 5.193 30 20 IKED Cc1ccccc1-n1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c2c1CCC2 520463284 AGKSOMOTPYADAK-FQEVSTJZSA-N 449.539 5.155 30 20 IKED CN(CCCc1nc2ccccc2[nH]1)C(=O)c1ccccc1Sc1ccccc1C#N 521105553 QRURXMFAKCBYJO-UHFFFAOYSA-N 426.545 5.291 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCCN(c3ccccc3)C2)cc1 522431351 BREHKFMAGWXIEO-HSZRJFAPSA-N 440.547 5.122 30 20 IKED C[C@@H]1C/C(=C\c2ccco2)c2nc3ccccc3c(C(=O)Nc3ccn(CCC#N)n3)c2C1 522725477 OKWDCCRMNDFHKN-GROYHEBESA-N 437.503 5.313 30 20 IKED CCN(Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1)S(=O)(=O)CCCCC#N 523736809 YPGINGITEXIDOR-UHFFFAOYSA-N 428.598 5.036 30 20 IKED C=CCc1cc(CNC(=O)N(Cc2cccnc2)Cc2ccccc2C)cc(OC)c1OC 523883295 GCCCBHZOFSTGSS-UHFFFAOYSA-N 445.563 5.048 30 20 IKED CCOc1cc(CN[C@H](CCC#N)c2ccccc2)cc(Br)c1OC(F)F 533360398 LJNCUNVUNPLORX-QGZVFWFLSA-N 439.300 5.584 30 20 IKED C[C@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 537905942 LTHBQOXUEDMFFT-GOSISDBHSA-N 433.483 5.295 30 20 IKED CCC(=O)Nc1cccc(CNC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 543016992 ILCNFMNCQIDWNP-SFHVURJKSA-N 426.520 5.134 30 20 IKED C[C@@H](NC(=O)N1CCC(n2cc(Cl)cn2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 543018037 TYXYQVKKXVFZJY-QGZVFWFLSA-N 433.943 5.183 30 20 IKED C[C@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccc(-c2cccc(C#N)c2)cc1 543858855 BDUKBURJPRJEKE-SFHVURJKSA-N 439.490 5.829 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 549056073 PAOHXCANAZUECO-UHFFFAOYSA-N 426.929 5.016 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(OCC(C)C)CC1 549248256 MQMIMCXALTXWLU-GOSISDBHSA-N 432.996 5.289 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1CC[C@@]2(C)[C@H](C1)C2(F)F 552616873 SENARYULLHARDG-AVRDEDQJSA-N 445.535 5.142 30 20 IKED CCN(C(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C)c1ccc(C#N)c(Cl)c1 553049562 BDVCSEBQNDVRFP-UHFFFAOYSA-N 434.849 5.828 30 20 IKED N#C[C@@H](C(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)c1nc(-c2ccccc2)cs1 554319427 BFKUTKMBPQCGTH-HNNXBMFYSA-N 440.406 5.369 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(C)c(OCc2cccnc2)c(C)c1 557610177 CRLLKYGUQAEGCV-UHFFFAOYSA-N 432.568 5.273 30 20 IKED CC1(C)CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)[C@H]1[C@@H]1CCCO1 571206381 QLOKVQIYPNLTEK-SFTDATJTSA-N 425.916 5.425 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 572966828 JGXKAVBJWSYTAM-PZJWPPBQSA-N 443.469 5.138 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1)c1nc2ccccc2o1 592975916 YEGWAFCHRRDYDF-AWEZNQCLSA-N 428.391 5.945 30 20 IKED CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@@H](C)c1cc2ccccc2o1 604362167 PRCBALBLEHJSQX-KRWDZBQOSA-N 426.476 6.107 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](c4nc5ccccc5o4)C3)cc2)cc1 604461350 GYAAUZNLEPJFEE-LJQANCHMSA-N 438.487 5.903 30 20 IKED C[C@H](CC(=O)Nc1ccc(OC(F)F)cc1OC(F)F)c1cccc(C(F)(F)F)c1 606177019 WPAXBYUAZRYWKP-SNVBAGLBSA-N 439.327 6.041 30 20 IKED C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C1 608638522 GCECOBGJCGACAO-AQCWLDMPSA-N 440.403 5.828 30 20 IKED CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)c1cc2ccccc2n1CC#N 609169732 GRKKHBLEYMZXOR-UHFFFAOYSA-N 444.510 5.444 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1 609297854 LJUZHPRAKUOFHO-UHFFFAOYSA-N 442.487 5.177 30 20 IKED N#C[C@@H](NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(Cl)cc1 609589445 HVCQVQFQYUYXSP-QGZVFWFLSA-N 435.858 5.406 30 20 IKED C=CCOc1ccc(C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)cc1OC 609737874 CYCMXWUNQUBBOV-PMERELPUSA-N 427.566 5.094 30 20 IKED Cc1[nH]nc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1-c1cccc(Cl)c1 610354501 DGVJLDOSBWLUHA-UHFFFAOYSA-N 432.867 5.335 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4nc5ccccc5s4)o3)n2)cc1 613315630 VFZLRLHUZNFBMS-INIZCTEOSA-N 441.537 6.478 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1OC(C)C 613404997 ZFOPXAYQDDWRKG-AWEZNQCLSA-N 434.439 5.601 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 615497987 RLIYCVARSXVFBU-PMACEKPBSA-N 435.568 5.033 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 620564733 BBOJZPLRMKXSHR-SNVBAGLBSA-N 448.907 6.068 30 20 IKED C=CCN(CC=C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)c(OC)c1)CC2 641889710 GWBISODCXNVPDW-JZJYNLBNSA-N 440.543 5.553 30 20 IKED CC(C)c1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c2cnn(C(C)C)c2n1 642282318 CVJKNLDODKWBHB-HNNXBMFYSA-N 436.466 5.370 30 20 IKED FC(F)(F)c1ccn(-c2ccc(CN3C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)cc2)n1 678299436 XSFAAKPERQJORA-STQMWFEESA-N 431.302 5.064 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)c(C)c(C)c2C)[n+]2cccc(O)c2)c1 726573113 ZWSBJYXUEUEECB-UHFFFAOYSA-O 429.565 5.218 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(Cl)ccc2Cl)[n+]2ccc(C)cc2)c1 726573418 CGTRYXOTCKPYAC-UHFFFAOYSA-O 440.375 5.894 30 20 IKED C[C@H](Sc1nnc(Cc2ccccc2F)o1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 727690513 GKKYBPALBFYUNJ-HBBMIWKISA-N 437.540 5.161 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccccc3OCC(F)(F)F)n2)cc1 727955151 ZRMIOVSBGRFTHW-INIZCTEOSA-N 446.450 5.315 30 20 IKED CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728028875 BILPOCSMIHRGFI-IBGZPJMESA-N 443.931 5.032 30 20 IKED O=C1/C(=C/c2csc(-c3ccccn3)n2)CCc2nc(-c3ccc(Cl)cc3)sc21 728439204 XIVYWKVSIVQKOR-SDNWHVSQSA-N 435.961 6.195 30 20 IKED CCC(CC)(C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1)c1ccc(Cl)c(Cl)c1 729003339 LBYCYVZFUYVGSH-AWEZNQCLSA-N 439.364 5.236 30 20 IKED Cc1ccc[n+](/C(C(O)=C2C=CC(=NC(N)=O)C=C2)=C(/S)Nc2cccc(C(C)C)c2)c1 732179175 DNBXINOLSPLLHA-UHFFFAOYSA-O 447.584 5.032 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)cc1 733031785 PQSNKCKYIWJKSM-QFIPXVFZSA-N 425.479 5.148 30 20 IKED N#C[C@@H](NC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(Cl)cc1 733259350 XBQHXXBRCMIHMU-CYBMUJFWSA-N 440.149 5.965 30 20 IKED N#C[C@H](C(=O)CSCc1ccc(Br)cc1)c1nc(-c2ccncc2)cs1 734081024 DAVLZRYPTDMJCH-MRXNPFEDSA-N 444.379 5.077 30 20 IKED C=CC[C@H](NC(=O)N1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3)c1ccncc1 734679798 PEYYULUIEBIZFE-AVRDEDQJSA-N 433.552 5.068 30 20 IKED C[C@H](NC(=O)CSCc1cc(Cl)ccc1OCC#N)c1ccc(Cl)c(Cl)c1 735320006 IFUMRIDISZZOMY-LBPRGKRZSA-N 443.783 5.660 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2ccc(OCC3CCOCC3)cc2)cc1 736955606 NDHFDZRSNLPKGS-SANMLTNESA-N 441.531 5.791 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)[C@@H](C)c2ccc(-c3ccccc3)cc2)c1 743610285 CATQYRFZFATKEK-CPJSRVTESA-N 427.548 5.937 30 20 IKED Cc1cccc2c(CCC(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c[nH]c12 744027121 IRYDDUUERKEMHZ-GOSISDBHSA-N 427.476 5.071 30 20 IKED CC(C)(C)c1ncc(/C=C\C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)s1 744029116 OGPBSMVCUJOKNY-QQBSYFJQSA-N 445.544 5.594 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@H]1c1cccc(F)c1F)c1nc(-c2ccc(Cl)cc2Cl)cs1 744034414 BVXSUIOFTMYLPG-SOUVJXGZSA-N 449.309 6.375 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(C)Cc2c(Cl)cccc2Cl)c1=S 746027769 ACERRJSENIJYHX-UHFFFAOYSA-N 449.407 5.672 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\COc3c(C)cc(Cl)cc3C2=O)cs1 750908297 DGFUBLFCYPHFEX-CXUHLZMHSA-N 438.936 5.757 30 20 IKED C=CCn1c(SCC(=O)N(C)c2ccc(C)cc2)nnc1-c1ccc(Cl)cc1Cl 751216658 LJVGJQZTUCGDHV-UHFFFAOYSA-N 447.391 5.501 30 20 IKED C[C@H](C[C@H](O)c1cccs1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 752211812 KVOKGADTIJTITK-VGSWGCGISA-N 435.549 5.027 30 20 IKED O=C(O)C(=O)/C(=C/c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1)c1ccc2ccccc2n1 752238882 YNHOHOSLFGITAS-KGENOOAVSA-N 440.411 5.130 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](CCc3ccccc3)C2)cc1 755757423 VDYNRWLJHPPXIB-CLJLJLNGSA-N 425.532 5.208 30 20 IKED C#CC[C@H](NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccccc1 757612620 KODNMRPQASXJPE-BJKOFHAPSA-N 430.935 5.082 30 20 IKED C=CCn1c(SCc2ccc(OC(C)=O)cc2)nnc1-c1ccc(Br)cc1 760378919 OWJAVEUGBQTPKU-UHFFFAOYSA-N 444.354 5.111 30 20 IKED O=C(CSCC(F)(F)F)O[C@@H](c1cc(Br)ccc1F)C(F)(F)F 761762383 VFVVLCQSGLVTNH-JTQLQIEISA-N 429.151 5.030 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 767883594 NEHOISGZHKPEBH-FZKQIMNGSA-N 432.293 5.248 30 20 IKED CC(C)(C)OC(=O)N1Cc2ccc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)cc2C1 769289499 QOCISFDVCFRTBJ-QGZVFWFLSA-N 437.496 5.176 30 20 IKED CC(=NNc1nc(O)c2cnn(C(C)(C)C)c2n1)c1ccc(Cl)c(Cl)c1Cl 769809890 JIBFCNMZBJVIGW-UHFFFAOYSA-N 427.723 5.083 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(N2C(=O)[C@H]3c4ccccc4CCN3C2=O)cc1Cl 771814795 AAMSUYVIIKGSRC-FYYLOGMGSA-N 427.891 5.061 30 20 IKED CCCCCCn1nc(C(=O)N(CC)c2ccc(C#N)c(Cl)c2)c2ccccc2c1=O 774149779 OZNIYWHFUIHLDQ-UHFFFAOYSA-N 436.943 5.169 30 20 IKED Cc1ccc(-c2cc(C(=O)O[C@@H](C#N)Cc3ccc(F)cc3F)c3c(C)noc3n2)cc1 774310742 KZEFPGUXWRJFLP-GOSISDBHSA-N 433.414 5.077 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2sc(C3CCCCC3)nc2C)ccc1OC 775169040 ZUYKGCRURHSMSF-GOSISDBHSA-N 427.570 5.119 30 20 IKED N#CCCN(C(=O)COC(=O)c1csc(-c2cccc3ccccc23)n1)c1ccccc1 778192068 VXNFPWDMQZQOSP-UHFFFAOYSA-N 441.512 5.067 30 20 IKED Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2ccccc2O[C@@H](C)C#N)c1 780150856 WUTRFTIHAIPRTN-SFHVURJKSA-N 440.478 5.530 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCCc3cn(C(C)C)nc32)cc1 780422119 KVEXFAMUVKQLTM-OAQYLSRUSA-N 445.523 5.336 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N(C)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 780678151 RDJPAAHIZUSYTD-BPAFIMBUSA-N 431.458 5.796 30 20 IKED COc1ccc(/C=C/C(=O)c2ccc(NC(C)=O)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 781551594 MDPLXJCOHNUCKR-WLRTZDKTSA-N 446.459 5.037 30 20 IKED Cc1cc(Br)c2oc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)cc2c1 783077442 QUEHIHDSLVXJJV-GFCCVEGCSA-N 431.673 5.118 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cnn(C(C)(C)C)c2C)cs1 787186177 MLXSNIOWTAEKHI-DHZHZOJOSA-N 442.972 5.637 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccsc2)N(CCCF)C1=O)Nc1cccc2ccccc12 790724456 QCBOHMSPVLZXOS-IBGZPJMESA-N 441.553 5.221 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCC(=O)c2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 793122552 CBYIBJTXPXXVEV-NVXWUHKLSA-N 441.339 6.053 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)c1 805114144 QSKRWVRKSVHQJP-NQIIRXRSSA-N 447.457 5.217 30 20 IKED COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OC(=O)CCCCCC#N 805852462 BTTSKNRLRVGURB-UHFFFAOYSA-N 430.504 5.789 30 20 IKED O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)[C@H](F)c1ccc(C(F)(F)F)cc1 813293401 ISBCVJDIMSJOLE-OAHLLOKOSA-N 449.301 5.698 30 20 IKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cccs2)C1=O)Nc1ccccc1 837742148 XVGBJLOPSTWFSA-LJQANCHMSA-N 439.537 5.048 30 20 IKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2)o1)c1nc(-c2ccc(Cl)cc2)cs1 915101458 HJVMXQKYFUUJFG-GOSISDBHSA-N 433.920 5.928 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2csc(Br)c2)cc1 915349915 ANSRDAUIDDJHMY-GOSISDBHSA-N 426.339 5.488 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCNc2nc3ccccc3s2)cc1 915349995 FJZSFQFORFQNDE-HXUWFJFHSA-N 427.533 5.185 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 915353116 LHIFWDCZDBUOKQ-FYYLOGMGSA-N 436.515 5.895 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3cccc(OCC#N)c3)c3cnn(C(C)C)c3n2)c(C)o1 916409665 JTNJTIOODDRHNO-UHFFFAOYSA-N 429.480 5.044 30 20 IKED Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1 916886658 IKPSBVKBYUKMLY-HNAYVOBHSA-N 446.519 5.548 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 916903616 UYKCBLTYHUASEN-FZKQIMNGSA-N 449.938 5.224 30 20 IKED CC(C)c1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)nn1C(C)(C)C 916905303 KHVKXUYABAQTFN-LJQANCHMSA-N 444.535 5.515 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cnn(-c3ccccc3)c2C)cs1 917560086 GUHAQYLMNLUYKD-KAMYIIQDSA-N 442.544 5.526 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(-c3cccs3)cc2)cs1 917560613 SYDFVICJQNXCON-KAMYIIQDSA-N 444.581 6.761 30 20 IKED COc1cc(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc(Cl)c1OCC(C)C 920106740 ZNPSCAWTCMHKKH-KRWDZBQOSA-N 438.911 5.379 30 20 IKED Cc1onc(-c2ccc(F)cc2)c1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920805837 GGTGOIYHOYKLRT-AWEZNQCLSA-N 439.418 5.681 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(Cc3ccc(F)cc3)n2)cc1 920874949 HZGIMMRQYFGMFB-AOMKIAJQSA-N 449.551 5.277 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3oc4ccccc4c3C)cc2)CCC1 1788967688 ZBDOLQLLILTXPE-GOSISDBHSA-N 447.535 5.290 30 20 IKED Cc1nscc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792122607 OKUSHPPUMIWMSD-MRXNPFEDSA-N 444.560 5.140 30 20 IKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc5sccc5s4)CCC3)cc2)CCC1 1792231230 LPQLLFIMNZOULI-UHFFFAOYSA-N 435.574 5.404 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccc(F)c2s1 1797448236 LNDJVCGNWYLBQO-FCGDIQPGSA-N 426.557 5.061 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ccoc23)[nH]n1 1814828874 WFFUYFXKHJNORZ-NRFANRHFSA-N 432.524 5.230 30 20 IKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)[nH]n1 1822581394 RNNRQBHCFXGALW-LJQANCHMSA-N 447.366 5.216 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1824145536 JGGTXTWAVVQSPP-RLWLMLJZSA-N 447.623 5.315 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3[nH]c(C)cc3c2)CC1 1828829377 CEWVOYPXQNPFNE-RSXGOPAZSA-N 447.623 5.478 30 20 IKED Cc1nc(COc2cccc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)c2)cs1 16706776 SRZRTNLNOZXNKK-UHFFFAOYSA-N 432.530 5.278 30 20 IKED C=CCn1c(SCc2ccc(OC)c(Br)c2)nnc1-c1ccccc1OC 16863522 XPBZTLWGJNSQHP-UHFFFAOYSA-N 446.370 5.203 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(\S)Nc2cccc(C(F)(F)F)c2)c1 23603083 RIKXWGJVHJRYOS-UHFFFAOYSA-O 432.491 5.297 30 20 IKED CCCCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)nc(C)c1C 29627707 NGDHZFWKHMGQRM-UHFFFAOYSA-N 427.618 5.436 30 20 IKED Cc1ccccc1-c1nnc(SCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)o1 45697482 QAGDWLDHUIXNRC-CYBMUJFWSA-N 438.578 5.224 30 20 IKED N#Cc1cc2c(nc1SCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)CCCC2 96994875 BEXMHIGCVWFUBW-UHFFFAOYSA-N 425.863 5.235 30 20 IKED CC[C@H](C)[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1nc2ccccc2[nH]1 108286404 CXHCFSSZNTVJKF-HJPURHCSSA-N 428.492 5.124 30 20 IKED N#C[C@@H](C(=O)CCCOc1ccccc1Br)c1nc(-c2ccncc2)cs1 195662671 URAQLKTWLDALPT-HNNXBMFYSA-N 442.338 5.003 30 20 IKED Cc1cc2nnc(SCC(=O)Nc3ccccc3SC[C@@H](C)C#N)n2c2ccccc12 303266517 GIHKGFGHOGNLQL-HNNXBMFYSA-N 447.589 5.174 30 20 IKED C[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1ccc(NC(=O)c2ccc(F)cc2)cc1 426163175 RQFVIUGYKSHQEU-AWEZNQCLSA-N 436.874 5.486 30 20 IKED O=C(O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 426815238 KEADFOKAJFKDGI-QGZVFWFLSA-N 448.338 5.130 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)N[C@H](CCCC#N)c1ccccc1 431926069 NZNUINLWDQGKQC-LAUBAEHRSA-N 436.556 6.053 30 20 IKED C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 437890740 RBLCCCQJYHKPIQ-MZNJEOGPSA-N 442.494 5.565 30 20 IKED C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438662651 AQVKWLZNJXEMMH-CQSZACIVSA-N 425.410 5.993 30 20 IKED COc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 438663695 XJBSLRFXBFBASN-GOSISDBHSA-N 431.467 5.520 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)Nc2cccc(OCc3ccc(Cl)cc3)c2)cc1 440303592 KGIVRVDNIGQKAY-UHFFFAOYSA-N 447.922 5.297 30 20 IKED CC(C)n1cc(Br)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 442864837 AODSINZNRLOVKM-MRXNPFEDSA-N 439.338 5.317 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1 444498255 YNHDFZBWWQTVQW-XMSQKQJNSA-N 448.510 5.064 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)Nc2cc(C)n(CCC#N)n2)c(C(F)(F)F)c1 446224690 HLGCUUGPNYPPLR-ZDUSSCGKSA-N 425.480 5.659 30 20 IKED CN(C)CCc1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 446565577 PMWYHCDTZVBZEF-UHFFFAOYSA-N 430.527 5.036 30 20 IKED COCCN(C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)c1ccc(C#N)cc1 460361663 VSVJQWKUYRSIQG-UHFFFAOYSA-N 442.302 5.346 30 20 IKED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@H]1c1cccc(Br)c1 460770729 MQVCZMCQHOATKQ-ZYSHUDEJSA-N 431.378 5.056 30 20 IKED Cc1nc(C(F)(F)F)sc1C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 461920283 JANRHEJNTSFUEA-UHFFFAOYSA-N 430.345 5.140 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)ccc21 464470369 VQTDPSQWCADUEW-CYBMUJFWSA-N 440.347 5.540 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 468651023 WYULMOZFIUQHDX-UHFFFAOYSA-N 448.325 5.720 30 20 IKED COc1ccc([C@@H]2CCCC[C@H]2Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1F 469260575 SNOCRYOYMZVVNJ-JTHBVZDNSA-N 435.543 5.556 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)ccc21 469971873 IYWOHGBKLSCHMA-PMACEKPBSA-N 442.346 5.319 30 20 IKED Cc1ccc(NC(=O)c2ccccc2)cc1NCC(=O)N(CCC#N)c1cccc(C)c1C 470537580 JCZYUPGRMZDXPL-UHFFFAOYSA-N 440.547 5.223 30 20 IKED COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 472796866 UXXIIUVRZZKIQY-ISKFKSNPSA-N 442.515 5.091 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2ccccc2Br)nnc1-c1ccoc1C 473797023 GLQNCZLOJGDDQH-CYBMUJFWSA-N 432.343 5.159 30 20 IKED Cc1ccccc1-c1noc(C)c1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 474901693 VJNCEBFJYUGFPC-UHFFFAOYSA-N 437.499 5.856 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 475573573 LOHCBCZXQPKOCG-UHFFFAOYSA-N 429.564 6.350 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1 475649162 JXLISVOMESKQAY-FQEVSTJZSA-N 444.362 5.428 30 20 IKED Cn1cc(-c2cc(F)ccc2NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cn1 477704676 QNDCTTAFKBISAX-UHFFFAOYSA-N 446.869 5.796 30 20 IKED CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)N1CCC(F)(C#N)CC1 477789677 KUFCGIGSTJNCGK-UHFFFAOYSA-N 435.908 5.105 30 20 IKED COC(=O)C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1 477801534 MJENJFYMSSJODD-KDOFPFPSSA-N 431.945 5.018 30 20 IKED C=CCn1c(SCc2nc(-c3ccccc3Cl)cs2)nnc1-c1cccnc1 478842924 YHJJCIHRINJEPR-UHFFFAOYSA-N 425.970 5.595 30 20 IKED COc1cc(C[S@](=O)[C@H](C)c2cccc(Cl)c2)ccc1OCc1cccc(C#N)c1 479974744 JGCQXBRXOQMQRT-ZQHDKMAOSA-N 439.964 5.809 30 20 IKED C=C(C)Cn1c(SCC(=O)N2CCCCC[C@H]2c2ccc(C)o2)nnc1-c1ccco1 482080796 WCXVQWLEYPSREP-SFHVURJKSA-N 440.569 5.252 30 20 IKED O=C(C[C@H](c1ccccc1)C(F)(F)F)Nc1cccc(COCC(F)(F)C(F)F)c1 482982221 HJDFCMIJLKPLSZ-MRXNPFEDSA-N 437.355 5.778 30 20 IKED Cc1cc([C@H]2CN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CCO2)ccc1F 483084487 FLFWXFJUKNFBTL-RUZDIDTESA-N 445.494 5.712 30 20 IKED Cc1c(C(=O)N[C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)sc2ccc(C#N)cc12 485120156 JAYZZNHSRLULLC-SBUREZEXSA-N 434.561 5.137 30 20 IKED C[C@H](N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)C(=O)N(CCC#N)c1ccccc1 488010654 WSUDXJBKHQKADR-UQBPGWFLSA-N 433.502 5.174 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)cc1 489859681 MCXFPKSJSFQKJV-CPJSRVTESA-N 443.503 5.258 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3nnc(/C=C\c4ccco4)s3)c2)cc1 490365185 JGVHIOHLXYURKI-KHPPLWFESA-N 428.473 5.004 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3C[C@@H]3c3cccc(Cl)c3)s2)cc1 493761373 FHCMHHGMIADURH-IAGOWNOFSA-N 426.954 5.098 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(Oc2ccccc2OC)cc1 496629552 HJFWZHZPGLYPAS-UHFFFAOYSA-N 448.567 5.553 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)CCCOc1cccc(Br)c1 501005446 ZOVRTLYLFXTABX-UHFFFAOYSA-N 439.309 5.306 30 20 IKED COc1cc(C)c(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1OC 502447294 DCDMSYBLHAWQMU-UHFFFAOYSA-N 435.455 5.246 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1cccs1)Cc1cccs1 503203674 UKIDVPALAWAQKT-INIZCTEOSA-N 427.620 6.438 30 20 IKED N#CCCCCNC(=O)c1cc(/C=C/c2cccs2)nc2ccc(Br)cc12 505072735 BJQFRRAQGKTEMF-BQYQJAHWSA-N 440.366 5.653 30 20 IKED C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(c2nc3cc(Cl)ccc3s2)CC1 508512612 ZAKFMHKVFCWMAF-IFXJQAMLSA-N 444.004 5.209 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[C@H](C2CCOCC2)C1 508800792 HSLDDBNKLIWVFF-XXBNENTESA-N 432.568 5.010 30 20 IKED C[C@@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1cccc2ccccc12 510247289 WMDRSYFROSCLEH-OAHLLOKOSA-N 445.573 5.738 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(F)ccc2C)nnc1-c1ccc(Cl)cc1 514358620 UGSBWFMQSNTWSA-CQSZACIVSA-N 430.936 5.351 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cc(Br)cs2)cc1 517374531 WDDRRNUSYWKDSS-UHFFFAOYSA-N 443.391 5.605 30 20 IKED COc1ccc(OC2CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)cc1 517407975 FKOVUIOFMDNAEG-KRWDZBQOSA-N 425.554 5.022 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NCC(=O)Nc3cccc4ccccc34)cc2)cc1 517658197 DLUHOJOWMRXWTA-UHFFFAOYSA-N 435.483 5.067 30 20 IKED Cc1cccc(COc2cccc(CC(=O)Nc3ccccc3SC[C@H](C)C#N)c2)c1 518143405 JPHHSYFDVZWYCB-HXUWFJFHSA-N 430.573 6.007 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccnc(OCc2ccccc2)c1 521260946 KQEJATIJUJEFSD-SFHVURJKSA-N 432.549 5.234 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COc2ccc(C#N)c(F)c2)cs1 521803745 JGBAUNYTJOOWSD-UHFFFAOYSA-N 435.402 5.436 30 20 IKED CC(=O)Nc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1Cl 523884731 ZJBWLZFMKZCFQV-UHFFFAOYSA-N 440.286 5.868 30 20 IKED C[C@@H](Nc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1)c1ccccc1 524132864 UETIWRFGUWAPHB-LJQANCHMSA-N 437.499 6.156 30 20 IKED C=CCOc1c(Br)cc(CNC2(c3ccccc3)CCOCC2)cc1OCC 525697018 VFOJLUDWGYONQM-UHFFFAOYSA-N 446.385 5.208 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 531565717 REIRUQQMBFDCGR-UHFFFAOYSA-N 430.483 5.201 30 20 IKED CN1CC[C@@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)[C@@H]1c1ccccc1 536265396 UYSRQGNFNACVBU-NOZRDPDXSA-N 427.573 5.026 30 20 IKED C[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1ccc(OCc2ccc(F)cc2)cc1 537101147 AXBADHRBWFKKRC-QGZVFWFLSA-N 428.467 5.177 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)c1ccc(-c2cccnc2)cc1 537125319 JFIXYAAXDOTMCW-OALUTQOASA-N 430.577 5.290 30 20 IKED COc1ccc(SC)c(OC)c1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 537194344 HUTBLIAQNWELLH-UHFFFAOYSA-N 434.517 5.129 30 20 IKED O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cc(O)nc2cc(F)ccc12 537242282 IQRGZTOCJVWQSW-MRXNPFEDSA-N 432.295 5.132 30 20 IKED Cc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)nn1C1CCCCC1 537342892 FIFRFAJZQRNBKG-UHFFFAOYSA-N 428.536 5.594 30 20 IKED N#CCCn1cc(CN2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c(-c2ccccc2)n1 538796030 JZRBYXRJILJXPS-LJQANCHMSA-N 429.499 5.124 30 20 IKED Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 542023442 DOBNHNMWAJMWRS-HSZRJFAPSA-N 429.524 5.840 30 20 IKED CCC[C@H](NC(=O)c1ccccc1)c1noc(-c2ccc(COc3ccc(C#N)cc3)o2)n1 547192943 UZKKFURPKWBPDJ-NRFANRHFSA-N 442.475 5.051 30 20 IKED C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 549264966 XKHZFNKFHZYPOK-LJQANCHMSA-N 448.514 5.103 30 20 IKED C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCCC2(CCOCC2)C1 549303566 YSDLARZNUUISPS-UHFFFAOYSA-N 438.616 5.262 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NCc3cnc(-c4ccc(Cl)cc4)s3)cc2)nc1 551346516 RDTBRMBWTCENBY-UHFFFAOYSA-N 446.919 5.452 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NC1(c2cccc(C#N)c2)CC1 552469615 IQNZVWQBQDSIPF-UHFFFAOYSA-N 439.346 5.016 30 20 IKED C[C@](C#N)(NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1)C1CCCCC1 555904237 LLYCNFISVKRDEL-JOCHJYFZSA-N 427.595 5.071 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 557335432 SMLUAHKCLURUBV-GOSISDBHSA-N 426.545 5.941 30 20 IKED COc1cc([C@@H](C#N)NC(=O)c2csc(-c3ccc(Cl)cc3)c2)cc(OC)c1OC 559378202 MMGFILRZWXICBD-QGZVFWFLSA-N 442.924 5.089 30 20 IKED COCC[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)c(Cl)c1 560269050 CNXXILMKRCKYNU-HSZRJFAPSA-N 432.395 5.197 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN(Cc1cccs1)Cc1cccs1 561170927 XGQSAIBGXGGZSC-KRWDZBQOSA-N 441.647 5.702 30 20 IKED N#Cc1cc(NC(=O)N2CCC3(CCO3)CC2)ccc1Oc1ccc(C(F)(F)F)cc1 572702787 IACLNDORYFGFHT-UHFFFAOYSA-N 431.414 5.156 30 20 IKED C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]1c1cccc(OC)c1 576742711 CCQODDTZYIBIKF-FQEVSTJZSA-N 436.581 5.115 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3c[nH]c4cccc(Br)c34)cc2)ccn1 583904494 YRNACEMVKWDQBL-UHFFFAOYSA-N 433.265 5.242 30 20 IKED N#Cc1ccc(C[C@H](C#N)c2nc(Cc3nc4cc(C(F)(F)F)ccc4s3)no2)cc1 589084613 PUKPNSDIVYHXSV-CQSZACIVSA-N 439.422 5.010 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2c(O)n[nH]c2-c2ccccc2)c1 590563985 WKGCSAHTPIRNRQ-UHFFFAOYSA-N 430.851 5.352 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)COc3ccccc3-c3ccccc3)c2)c1 603995626 OKBZYCUXHWPOFM-UHFFFAOYSA-N 447.494 5.495 30 20 IKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 604521333 YAFYTCMVLACTIH-GMAHTHKFSA-N 446.576 5.237 30 20 IKED C=CCn1c(S[C@H](CC)c2ccc(F)cc2F)nnc1[C@H]1COc2ccccc2O1 606150377 SRKRVTMKOMDTBB-WOJBJXKFSA-N 429.492 5.498 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 606773993 TZFXKUFDCLLNMO-IBGZPJMESA-N 431.414 5.250 30 20 IKED C[C@@H]1CCN(C(=O)c2cc3ccccc3n2CC#N)c2cc(C(F)(F)F)ccc2S1 609165530 ZHBYGQDZFAYTER-CQSZACIVSA-N 429.467 5.715 30 20 IKED CCOc1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(C(F)(F)F)c1 609207231 WKWZHRNBNQCOCU-UHFFFAOYSA-N 433.430 5.051 30 20 IKED N#Cc1ccc(CNC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cc1 609212474 OJHTUNLRESGQDO-UHFFFAOYSA-N 425.319 5.172 30 20 IKED Cc1nc(-c2ccc(CNC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)s2)cs1 609497714 BZOQEOODIXHUOA-UHFFFAOYSA-N 432.530 5.169 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC2(c3ccccc3)CCOCC2)cc1 609573015 NWBSDTVGCNKTSK-UHFFFAOYSA-N 441.531 5.159 30 20 IKED CCOC(=O)c1sc(NC(=O)c2cccc(COc3cccc(F)c3)c2)c(C#N)c1C 609620707 FIQWCQPWHNGZQX-UHFFFAOYSA-N 438.480 5.075 30 20 IKED C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 609927714 JAHCHYWUHONUOV-UWJYYQICSA-N 442.494 5.360 30 20 IKED COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CSc2ccc(C#N)cc2F)cc1 610164650 MAWKEBKNIZEPFZ-HSZRJFAPSA-N 445.519 5.176 30 20 IKED CCOc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)CCO2 614100956 HFIXNOUNHDXMOM-QHCPKHFHSA-N 444.556 5.503 30 20 IKED CCOc1cc(-c2nnc(SCc3ccc(C#N)cc3C)o2)cc(OCC)c1OCC 614397297 IZFHLFWCHHVOKX-UHFFFAOYSA-N 439.537 5.405 30 20 IKED C[C@@H](NC(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1cccc(C#N)c1 616044357 BNPOVSLDQSNYQC-OPAMFIHVSA-N 449.352 5.060 30 20 IKED Cc1nc(-c2ccc([C@@H](C)NCc3cn(CCC#N)nc3-c3ccccc3)cc2)cs1 617179527 OZZRZWMBMXZIKJ-GOSISDBHSA-N 427.577 5.747 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc2c(OC(F)F)cccc2[nH]1 642175588 OXZLSGIUWNFQFO-RKDXNWHRSA-N 444.322 5.409 30 20 IKED FC(F)(F)c1nc(N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1Br 672179819 JZHNACWMEXGGMQ-RNFRBKRXSA-N 445.123 5.430 30 20 IKED N#CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3-c3ccccc3)C2=O)cc1 725904990 SRMABNBHBYEDTH-CJLVFECKSA-N 428.538 5.662 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 726275079 VRZLQFYFGMNNDE-CVEARBPZSA-N 442.025 5.135 30 20 IKED N#Cc1cnc2ccccc2c1OCCOC(=O)c1ccccc1SCc1cscn1 726362601 MRQOGFYKUPJDOK-UHFFFAOYSA-N 447.541 5.091 30 20 IKED CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)CC1 728032153 IXRSERSUYPWXMZ-UHFFFAOYSA-N 449.551 5.113 30 20 IKED Cc1c(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)sc2ccc(F)cc12 731074494 SFPMYIUSFWTINZ-ZDUSSCGKSA-N 442.537 5.539 30 20 IKED N#CCOc1ccc(CSC2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(F)cc2)cc1 731155904 AVWYHAHTSDKQRH-XQNSMLJCSA-N 443.503 5.405 30 20 IKED N#Cc1ccccc1COc1cccc(/C=C(\Cl)c2nc(O)c3ccc(Cl)cc3n2)c1 731318521 JIVPJKBBWAMSEY-NHDPSOOVSA-N 448.309 6.176 30 20 IKED C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)/C=C/c1ccc(Br)cc1 731340809 SIVSZTRWHDHXOW-YPDDLIOESA-N 437.384 5.256 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCOc3ccc(C=O)cc3)cc2Cl)c1 731630832 WLVWYPDBHMLQCE-UHFFFAOYSA-N 434.879 5.011 30 20 IKED CCc1cccc(C)c1NC(=O)COC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 732377817 WIZBDESPFYOZCI-UHFFFAOYSA-N 428.488 5.211 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2nc(-c3ccccc3)cs2)cs1 732572152 ZBJDXVIXKZQURQ-XFXZXTDPSA-N 449.532 5.986 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1cc(F)c(Cl)cc1Cl 733080183 GKOKHOXUXNOZLP-UHFFFAOYSA-N 444.219 5.839 30 20 IKED C#CCN(C(=S)Nc1ccccc1Cl)[C@@H]1CCOc2ccc(Br)cc21 733087060 NLKFCUYLUVUUQF-QGZVFWFLSA-N 435.774 5.258 30 20 IKED CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2c(F)cccc2F)o1 734362617 AIVDPSZXVMPWMS-UHFFFAOYSA-N 426.448 5.053 30 20 IKED C=CC[C@@H](NC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)c1ccncc1 734455999 QCBCMSJGJKQONV-HNAYVOBHSA-N 427.957 5.445 30 20 IKED CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(S(=O)(=O)CC(F)F)cc1 741759711 MXBOSJUKHRAJTL-UHFFFAOYSA-N 441.714 5.522 30 20 IKED O=C(Nc1cccc(/C=C/C(=O)c2c(Cl)nc3sccn23)c1)c1ccccc1Cl 741849542 WXFYMDGHWJVLSE-CMDGGOBGSA-N 442.327 5.851 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/Cc3cc(Cl)ccc3C2=O)cs1 742437281 KVZSYABHQWMIST-UVTDQMKNSA-N 429.328 5.957 30 20 IKED CCc1cccc(N2C(=S)N[C@@H](c3ccc(C#N)o3)C(C(=O)Nc3ccccc3)=C2C)c1 743743276 VTTWKLXLPIPQKM-QHCPKHFHSA-N 442.544 5.062 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1C[C@]12CCCc1ccccc12 744029692 UDRUZPKNDMVBCO-ZKOMGTKCSA-N 436.511 5.420 30 20 IKED CCOc1ccc(C=NO[C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1OC 744443498 KLXKEQXBJWZYJE-ZDUSSCGKSA-N 435.402 5.274 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(-c2ccncc2)cc1 746424631 FHQIFZWVNPRTGG-CCLHPLFOSA-N 432.527 6.287 30 20 IKED Cn1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1-c1ccc(F)cc1 750404418 REDUEBPNHYFPSG-HNNXBMFYSA-N 437.446 5.723 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2nc(C(F)(F)F)cs2)cs1 755902839 AYLGEATVNMZCGL-UHFFFAOYSA-N 425.461 5.057 30 20 IKED Cc1nn(C)c(C)c1[C@@H](OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C(F)(F)F 760779806 HEKUWWWBEQOHFL-OAQYLSRUSA-N 443.425 5.356 30 20 IKED N#Cc1ccccc1Oc1ccc(-c2nc(-c3ccnc(-n4ccnc4)c3)no2)cc1Cl 762056173 AYLWWHALOCPWRU-UHFFFAOYSA-N 440.850 5.302 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\Cc3cc(Cl)cc(Cl)c3C2=O)cs1 764431402 DURMRAJSBIZSTM-MDWZMJQESA-N 447.318 6.096 30 20 IKED C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCc1cccc(-c2ccc(C#N)s2)c1 766106019 ATBKEOSCQNVXQA-HNNXBMFYSA-N 443.494 5.812 30 20 IKED CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1ccc(C)cc1 768413256 VPNOISHOYJVYJG-IBGZPJMESA-N 433.581 5.009 30 20 IKED Cc1cc(Br)cc2cc(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)oc12 769267629 KUJYMJGHEKNWEF-UHFFFAOYSA-N 434.633 5.189 30 20 IKED CC(C)n1ncc2c(C(=O)OC[C@H](C#N)Cc3cccs3)cc(-c3ccccc3)nc21 772735521 KGIGTRBGUUYVGQ-KRWDZBQOSA-N 430.533 5.280 30 20 IKED N#C[C@H](C(=O)CCCC(=O)c1ccc(Br)cc1)c1nc2ccccc2s1 774037489 LQCRCPQBDOIDDF-OAHLLOKOSA-N 427.323 5.288 30 20 IKED CN(C(=O)NCc1ccc(OCC#N)cc1)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 776619823 XUZDMNFKTMKAGA-NHCUHLMSSA-N 431.458 5.085 30 20 IKED C=CCC[C@@H](C(=O)O[C@@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C)c1ccccc1 778551794 JGTJNHKSUWJJSP-NZQKXSOJSA-N 431.536 5.109 30 20 IKED C=CCC[C@@H](C(=O)OCC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)c1ccccc1 778552486 NNUSHSZVUZLLIQ-HSZRJFAPSA-N 431.536 5.029 30 20 IKED N#Cc1ccc(CNC(=O)NCc2ccc(Oc3cccc(Cl)c3Cl)cc2)nc1 780490237 SPYMNDKQRMDKJX-UHFFFAOYSA-N 427.291 5.052 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cccc(C2SCCS2)c1 782954223 PQEDNOGUPSPTTO-UHFFFAOYSA-N 439.027 5.033 30 20 IKED N#C[C@@H](COC(=O)c1ncoc1-c1ccccc1Cl)Cc1ccccc1Br 786639791 STURCQVLCFFWGN-ZDUSSCGKSA-N 445.700 5.297 30 20 IKED C[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1nc(C(F)(F)F)cs1 787265291 ZGNGJYDCQKQGAM-LLVKDONJSA-N 436.484 5.322 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 795391369 VPLBONZNPOQOFS-QFIPXVFZSA-N 440.421 5.023 30 20 IKED CC(=O)N(c1nc(COC(=O)c2cc(C#N)oc2C)cs1)c1c(C)cc(C)cc1Cl 797886713 YLBMBOVXVWTROT-UHFFFAOYSA-N 443.912 5.228 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@](CO)(c3ccccc3)C2)cc1F 801633627 NTKQKQPBEUZQSK-AREMUKBSSA-N 445.494 5.048 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)c3ccc(C(=O)C(C)C)cc3)n2)cc1 802053480 SDUFIRUMHKLLHL-HRAATJIYSA-N 432.545 5.637 30 20 IKED N#Cc1ccc(N2C[C@@H](c3nc(-c4c(Cl)cccc4Cl)no3)CC2=O)cc1Cl 904308377 IRMGYQWKPVVDQV-NSHDSACASA-N 433.682 5.089 30 20 IKED COc1ccc(Cl)cc1CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916907700 ZRLQBNHQEVYNPF-LJQANCHMSA-N 434.879 5.031 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(Cc3ccccc3)nc2C)cc1 916947963 CPCKCPTXDHEBSF-IERDGZPVSA-N 431.561 5.517 30 20 IKED N#C[C@@H](C(=O)CCCOc1ccccc1Br)c1nc2ccccc2n1C(F)F 917045211 WSNOWJNTFDPQFX-ZDUSSCGKSA-N 448.267 5.229 30 20 IKED CCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1C#N 917702175 ROGJFQNAQRAYOV-QFIPXVFZSA-N 442.544 5.082 30 20 IKED O=C(Nc1ccccc1SC(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 919653428 XYHVFYIJAAXOQG-DTORHVGOSA-N 440.331 5.893 30 20 IKED CCOc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 920139179 OGOOJCOPYZRCGV-FQEVSTJZSA-N 434.517 5.057 30 20 IKED CCN(c1ccccc1)S(=O)(=O)c1cc(N=Cc2cccc(OC)c2O)ccc1Cl 920943445 XVASSPYVGXSJOW-UHFFFAOYSA-N 444.940 5.020 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCc3cccnc3C)cc2)CCC1 1786745313 SKTVDDRHERBXKE-UHFFFAOYSA-N 433.596 5.449 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccc4[nH]ncc34)cc2)CCC1 1788443148 ZSGCCRZEVVBZQB-UHFFFAOYSA-N 430.552 5.303 30 20 IKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCC[C@H]5CCCC[C@H]54)cc3)CCC2)c1 1789191997 RMKCJPSCEVEJQY-UEVCKROQSA-N 444.579 5.241 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1791300696 VTAMCMCQYHGGDM-UHFFFAOYSA-N 443.881 5.171 30 20 IKED C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1)c1ccccc1 1791337261 CCHMJQFNSCLYOV-FNVGFWRISA-N 443.547 5.026 30 20 IKED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)/C=C/c3cccc(C(F)(F)F)c3)C2)CC1 1806489172 APPSYUSCCPOJAZ-YXBWYFRISA-N 448.529 5.162 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)[C@H]1c1cccnc1 1810182591 OZOQNKPEWSKSHM-SSXAXAPESA-N 437.628 5.072 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2ccccc2C)[C@@H]1c1cccnc1 1812750100 CIVVMSRJXVLUJD-RSXGOPAZSA-N 447.623 5.021 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(C)(C)C)nc2)n[nH]1 1814351481 AMZMAUHWOGRPIG-FPOVZHCZSA-N 449.599 5.177 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 1828827863 XYZVRRMKCNRUQF-ZEQKJWHPSA-N 447.623 5.099 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC)cc2F)CC1 1830515517 MTVNHYGQFVZTGJ-HSZRJFAPSA-N 444.591 5.060 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H](C)c2ccccc2)CC1 1831509818 NZRODKBIVGTFLD-DENIHFKCSA-N 432.555 5.011 30 20 IKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(C)cc3s2)CC1 1831852095 PDDCNBSSWMUTKU-JOCHJYFZSA-N 436.621 5.247 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCC3CCCC3)CC2)c1 1832635157 VLWSXKCWHVFZRY-RLWLMLJZSA-N 449.639 5.517 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cc(C)cc(C)c2)cc1 10172550 QHLMGONJEXGABR-UHFFFAOYSA-O 425.524 5.482 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)(C)C)cc1)=C(/S)Nc1ccc(C)c(F)c1 11082957 NGEJHWATGBQJEX-UHFFFAOYSA-O 449.615 6.332 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)Nc1ccc(F)cc1F 11249679 UZNJCJOJUZSXOB-UHFFFAOYSA-O 439.551 5.989 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2ccc(C)c(F)c2)cc1 15247834 TUKYQAZTKJDANC-UHFFFAOYSA-O 435.588 6.376 30 20 IKED COc1cc([C@@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)ccc1OC(C)C 26947292 SLEOHTOHBGMDBZ-GOSISDBHSA-N 446.572 5.996 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(-c3nc(C4CC4)n[nH]3)c2)c1 60367609 ISAICZNBUWVOER-UHFFFAOYSA-N 435.487 5.052 30 20 IKED CCCc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)c2cccs2)cc1 61967543 AAWYGAYZBLUWAE-OAQYLSRUSA-N 437.952 5.070 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2sccc2Br)cc1 72069520 ZWRRIGCOCZWHBA-UHFFFAOYSA-N 429.295 5.435 30 20 IKED N#CCCSc1ccccc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 78669105 FOHXMNYLXUFBFB-UHFFFAOYSA-N 446.359 6.225 30 20 IKED C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 96931258 OZZUSHYEHHKYPT-VCRXTVNUSA-N 440.594 5.104 30 20 IKED Cn1ccnc1COc1ccc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 207054039 GCWAOTXJZYXWQM-BENRWUELSA-N 429.432 5.063 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(-c3csc(C)n3)c[nH]2)cc1 303183002 XPQUGZAIDXJMKY-UHFFFAOYSA-N 430.489 5.372 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(NC(=O)C4CCCCC4)c3)cc2)nc1 427438039 BTXPXVCGZRHTHB-UHFFFAOYSA-N 440.503 5.517 30 20 IKED N#CCSc1cccc(C(=O)Nc2ccc(Br)cc2Br)c1 429962942 KBLHEOOZZSOBAQ-UHFFFAOYSA-N 426.133 5.080 30 20 IKED CC(C)N1C(=O)N([C@@H](CCC#N)c2ccccc2)C(=O)[C@@H]1c1ccc(Br)cc1 432389780 WXSJOIXKUUEIEM-PMACEKPBSA-N 440.341 5.208 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)C3(Cc4cccc(F)c4)CCOCC3)c2)c1 432707878 LQNDYLFGQDXXQP-UHFFFAOYSA-N 444.506 5.254 30 20 IKED C=CCC(C)(C)CNC(=O)Nc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1 432769153 ZXSRIDYTEFBVPR-INIZCTEOSA-N 431.968 5.077 30 20 IKED CC(=O)Nc1ccc(C(=O)N(C)[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1F 433850655 BTLZWXYMISORJG-INIZCTEOSA-N 436.327 5.179 30 20 IKED COc1ccc(CN(Cc2ccccc2)Cc2cn(CCC#N)nc2-c2ccncc2)cc1 435134036 FHDKYLTVVQMFRN-UHFFFAOYSA-N 437.547 5.070 30 20 IKED N#C[C@@H](C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nc2cc(Cl)ccc2s1 437378305 ZXUQFZJBUOULAP-LBPRGKRZSA-N 425.775 5.367 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCc3c(F)ccc(F)c3C2)cc1 438622728 BUJRQGKCICQEKT-UHFFFAOYSA-N 433.458 5.200 30 20 IKED N#Cc1ccc(NC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1C(F)(F)F 438641806 NZLSDRKYGPVRFP-UHFFFAOYSA-N 435.833 5.357 30 20 IKED C[C@@H](SCc1ccc(C#N)cc1OC(F)F)C(=O)Nc1ccccc1OC(F)F 439540685 JUJNMSLCYNAWAF-LLVKDONJSA-N 428.407 5.021 30 20 IKED CCCc1c(NC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)cnn1-c1cccc(C#N)c1 440069451 JVOCCWKANJQPAF-UHFFFAOYSA-N 449.942 5.197 30 20 IKED N#Cc1ccc(C2(C(=O)N3CCC(OCc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1 440473642 YEFLVQCSBPSAEM-UHFFFAOYSA-N 429.347 5.104 30 20 IKED Cc1cc([C@@H]2NC(=O)N(c3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)C2=O)ccc1F 445994024 VAEBYIWXYPEZIS-NRFANRHFSA-N 435.842 5.249 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1F)C1CCCC1 447025897 FIDVKWGELTVYMD-OPAMFIHVSA-N 439.556 5.064 30 20 IKED Cc1ccc(CNC(=O)C(=O)Nc2ccccc2SCCC#N)c(Oc2ccccc2)c1 447210859 CIHXMYUHLBYDAC-UHFFFAOYSA-N 445.544 5.048 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3cc(C(=O)Nc4ccccc4)ccc3Cl)on2)c1 448150515 DIWHHJFBAVDLKN-UHFFFAOYSA-N 442.862 5.371 30 20 IKED C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 460941825 USHCSJBHEBCNEG-INIZCTEOSA-N 440.507 5.114 30 20 IKED CCc1nc(C)c([C@H](C)N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)s1 461496414 NBNTUHFQJKUNEI-INIZCTEOSA-N 448.621 5.451 30 20 IKED CC(C)CCN(CCC#N)c1nnc(-c2cc(Cl)ccc2Cl)n1C[C@@H]1CCOC1 461579801 RJNBIIGBGBSHEI-INIZCTEOSA-N 436.387 5.055 30 20 IKED CCO[C@@H](C)c1noc(CNc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)n1 462190094 PIAJZXXCAYPIBZ-ZDUSSCGKSA-N 432.402 5.462 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cccc(-c3cscn3)c2)cc1 463283694 OGUCGFPDABAKRK-UHFFFAOYSA-N 427.504 5.663 30 20 IKED N#C[C@H](C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1cc(C(F)(F)F)ccn1 464411585 PXWPUPKCMQWHAH-ZDUSSCGKSA-N 441.356 5.733 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)cc1 464745739 KZCQRLNFXXUNLM-GOSISDBHSA-N 438.487 5.124 30 20 IKED C[C@@H](NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1ccc(C#N)cc1 465670021 XRWHUWKAAUDHPF-GYCJOSAFSA-N 447.922 5.133 30 20 IKED C=C(C)CN1CCC(NC(=O)N[C@H](c2ccc(OC)cc2C)c2ccccc2Cl)CC1 465872354 UNBKYRYTPGFJRC-XMMPIXPASA-N 442.003 5.086 30 20 IKED CN(C(=O)c1ccc(NC(=O)NCc2cc(C#N)ccc2F)cc1Cl)C1CCCCC1 466199919 OJLAGALFKYMWMT-UHFFFAOYSA-N 442.922 5.077 30 20 IKED Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1ccc(COc2ccccc2C#N)o1 468162816 FOFBUDTVCPFFIT-IBGZPJMESA-N 429.520 5.670 30 20 IKED C[C@@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1nc(C(F)(F)F)cs1 470558843 KXWQGVPJQOWRNT-CYBMUJFWSA-N 431.439 5.104 30 20 IKED C=CCN(C(=O)c1cc(SC)c(Cl)cc1Cl)c1nc(C(=O)OCC)cs1 471344774 DNQRZLHFGQECKH-UHFFFAOYSA-N 431.366 5.181 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cn(C)nc1-c1ccc(Cl)s1 475343707 RQVNVUHCQFZGHH-UHFFFAOYSA-N 449.923 5.422 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](O)COc1ccc(C(F)(F)F)cc1 475564772 BGETXVHMYWIZEV-SFHVURJKSA-N 436.474 5.119 30 20 IKED Cn1c(CNC(=O)c2ccccc2Sc2ccccc2C#N)nc2cccc(Cl)c21 475657885 AJMJAFBVDPJFJY-UHFFFAOYSA-N 432.936 5.180 30 20 IKED CC[C@@H](C)Oc1cccc(NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 476145279 ITPDMDOWUSYZQN-QGZVFWFLSA-N 429.476 5.105 30 20 IKED C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)c2ccccc2N(Cc2ccccc2)C1=O 476263714 SIMZFHKTDGQLPC-HXUWFJFHSA-N 437.543 5.317 30 20 IKED COc1ccc2ccccc2c1-c1cc(CNC(=O)c2ccc(C(C)(C)C#N)cc2)on1 476604636 XLBUVDFBNHBXSF-UHFFFAOYSA-N 425.488 5.235 30 20 IKED N#Cc1cc(Cl)ccc1CNc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 478401268 WIYJYILGBNUDAR-UHFFFAOYSA-N 432.879 5.076 30 20 IKED O=C(CCOCC(F)(F)C(F)F)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F 479800782 AVGLSOHAGDQKCV-UHFFFAOYSA-N 439.327 5.743 30 20 IKED C=C(C)[C@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1)c1ccc(F)c(F)c1 480812061 KSXFYWBNXNFJAX-NRFANRHFSA-N 425.435 5.557 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3ccc(Oc4ccc(F)cc4F)cc3)CC2)cc1 482358721 DPCKDGWOCCSVHI-UHFFFAOYSA-N 434.442 5.312 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(-c2cccc(Cl)c2)noc1C 483315299 NTNATVGUPRKVTG-UHFFFAOYSA-N 444.878 5.923 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccccc3C(=O)c3ccc(F)cc3)s2)cc1 483820442 TZUGJFFECLIBPL-UHFFFAOYSA-N 441.487 5.228 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1 484539886 FPLNGTDVJUJGCA-UHFFFAOYSA-N 425.554 5.046 30 20 IKED CCOc1ccccc1Oc1ccccc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 484574472 XKQOTCFCBYZQRC-KRWDZBQOSA-N 426.394 5.781 30 20 IKED CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)s1 487294423 AYBFKBJBHRAVEA-AWEZNQCLSA-N 425.485 5.001 30 20 IKED Cc1c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cccc1N1CCNC1=O 487660897 NVWBIGCGRZAUFD-UHFFFAOYSA-N 446.894 5.094 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCC(=O)c3ccc4ccccc4c3)c2)c1 490428290 GWHYCYVMLKNABH-UHFFFAOYSA-N 447.494 5.565 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC2(CC1)OCCc1ccsc12 492183108 YAYNJKKSMXBNRU-INIZCTEOSA-N 427.595 5.238 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 496280697 DACFAJLBOXWHSO-UHFFFAOYSA-N 430.445 5.030 30 20 IKED Cn1ccnc1SCc1cccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 501892643 QWORABCBDOLTDV-UHFFFAOYSA-N 440.528 5.629 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)CCOc3ccccc3-c3ccccc3)CC2)cc1 504734127 WYSWQBSDBXIEPU-UHFFFAOYSA-N 426.516 5.064 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)cc1 505686189 LZSREEFHDQOZCM-NRFANRHFSA-N 444.487 5.169 30 20 IKED C[C@@H](SCC(=O)NCc1ccc(C#N)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 506249617 NNQCVJKMRUORJO-GFCCVEGCSA-N 446.416 5.706 30 20 IKED COc1cc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc(OC)c1 508277083 YUIKODZPHPYFGB-UHFFFAOYSA-N 447.491 5.040 30 20 IKED Cc1cc(C)c(NC(=O)CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(C)c1 510503476 UQLUDNFQJFCCPO-UHFFFAOYSA-N 442.519 5.344 30 20 IKED N#Cc1ccc(CNC(=O)Cn2c(-c3cccc(Cl)c3Cl)nc3ccccc32)cc1 511173060 OXAUKBVMZIHBOK-UHFFFAOYSA-N 435.314 5.198 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1c[nH]c2cccc(Br)c12 513780917 GIDGCZLUBVJASJ-ZDUSSCGKSA-N 428.355 5.363 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)o1 515551925 APDCPTZXKZBHBM-UHFFFAOYSA-N 440.421 5.554 30 20 IKED C=C(C)CN1CCC(NC(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)CC1 517355025 GYXOYYZTSNLLRY-JOCHJYFZSA-N 433.379 5.270 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCOc3ccccc32)cc1Cl 518721982 CUCOBOLPWBPOND-PGRDOPGGSA-N 431.923 5.683 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(-c2ccco2)nc2onc(CCC)c12 521101371 INGRUJXUHYFLSN-UHFFFAOYSA-N 446.463 5.172 30 20 IKED CC(C)CC(=O)Nc1ccc(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1 522091790 SFEIUQHNPJRELL-UHFFFAOYSA-N 434.540 5.055 30 20 IKED CC(=O)N(c1nc(CN(Cc2ccc(C#N)cc2)C(C)C)cs1)c1c(C)cc(C)cc1C 535954041 LONHSYKQIKXOBA-UHFFFAOYSA-N 446.620 6.035 30 20 IKED COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 536784891 NANUKPQDRZSGTG-IQGLISFBSA-N 430.504 5.060 30 20 IKED Cc1cc(CSc2ncccc2C(=O)NCc2ccc(-c3ccccc3C#N)cc2)no1 540198697 HMWDAFCFUHURDI-UHFFFAOYSA-N 440.528 5.139 30 20 IKED C[C@@H](NC(=O)c1ccc(CSc2nccn2C)o1)c1ccc(-c2cccc(C#N)c2)cc1 542988447 GTWUYHINXHBJOM-QGZVFWFLSA-N 442.544 5.335 30 20 IKED CN(C(=O)c1ccc(C#N)c(Cl)c1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 547957135 LDTICYDOIZLXJF-UHFFFAOYSA-N 431.801 5.694 30 20 IKED N#Cc1cc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cnc1C(F)(F)F 549300824 XIQITKKBZRBOGI-UHFFFAOYSA-N 438.125 5.006 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N[C@H](CCC#N)c1ccccc1 551643015 ZNYFFZKNCSOWGR-GOSISDBHSA-N 443.391 5.911 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3cccc(COC4CCCCC4)c3)CC2)c1 552306276 RYELAYHQJYLMAP-UHFFFAOYSA-N 433.552 5.483 30 20 IKED CN1CCc2nc3ccccc3c(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)c2C1 552729770 GPDOYDKUTCLZAM-UHFFFAOYSA-N 434.499 5.139 30 20 IKED COc1cccc(/C=C(/CC(=O)Nc2ccccc2CC#N)c2nc3ccccc3s2)c1 554750566 NZQBPBDTVDNWPQ-HKWRFOASSA-N 439.540 5.940 30 20 IKED N#C[C@@H](C(=O)c1ccccc1Oc1ccncc1)c1nc(-c2c(F)cccc2F)cs1 555073414 CBTKAFYXFZWMQJ-INIZCTEOSA-N 433.439 5.766 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3cccc(-c4c(F)cccc4F)c3)CC2)c(F)c1 557124388 ZOXTVOSPPMNHSJ-UHFFFAOYSA-N 436.433 5.326 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(Oc3cccnc3)cc2)cc1 562213210 GKHYJZZBGWQPAH-UHFFFAOYSA-N 437.524 6.290 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H]1c1ccc(Cl)cc1 570887702 JKQGCKQXLPVSGZ-ZRBLBEILSA-N 434.971 5.704 30 20 IKED N#Cc1cccc(C2(NC(=O)Cc3csc(-c4ccc(Cl)cc4Cl)n3)CC2)c1 572140462 KPONOWZNUMFGKD-UHFFFAOYSA-N 428.344 5.337 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3F)s2)nnc1-c1ccccc1C 574931223 GXDJBDQNMPFFEW-OAHLLOKOSA-N 437.569 5.950 30 20 IKED N#Cc1ccc(NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)c(C(F)(F)F)c1 578920020 RQTXGDORVJMBET-UHFFFAOYSA-N 426.442 5.309 30 20 IKED CCN(C(=O)c1cc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)ccc1Cl)C(C)C 586815760 IVQWWGABXHMOOR-UHFFFAOYSA-N 429.923 5.138 30 20 IKED CN(CCOCc1ccc(C#N)cc1)C(=O)Nc1ccnc(Oc2ccccc2Cl)c1 588998160 GVSOLSCCGQPDCO-UHFFFAOYSA-N 436.899 5.079 30 20 IKED C=CCOc1cccc(NC(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)c1 592905083 MNYIVGSPDRNUTL-IBGZPJMESA-N 425.287 5.303 30 20 IKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 601187262 JIXCVEDLPFAXFD-OZXSUGGESA-N 425.532 5.113 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCc1nc2ccccc2s1 603532910 FNZRBKHSNMTACV-UHFFFAOYSA-N 429.520 5.782 30 20 IKED CC(C)c1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c2cnn(C(C)C)c2n1 603764270 JZMFCAOREZFIGK-UHFFFAOYSA-N 440.507 5.447 30 20 IKED Cc1ccc(-n2ncc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c2C)cc1 603814625 TYFTVYZVYSAFAX-UHFFFAOYSA-N 436.515 5.387 30 20 IKED N#Cc1ccc(NC(=O)CSCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 604056247 WDOJIJWYRXCMHF-UHFFFAOYSA-N 433.480 5.572 30 20 IKED CCN(C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)[C@@H](C)c1ccc(C#N)cc1 604343342 NZPUXBYJBIUAQQ-ROUUACIJSA-N 443.507 5.258 30 20 IKED CCCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 604500490 KGPVVKYGYDELAT-UHFFFAOYSA-N 443.547 5.784 30 20 IKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[C@H](C#N)c3nc4cccc(C)c4[nH]3)cc12 605363539 IDNMQNIAJBFPLN-HNNXBMFYSA-N 445.935 5.724 30 20 IKED C[C@@H](C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccccc1C(F)(F)F 607798934 COTJSHLDUCXGEP-GFCCVEGCSA-N 437.355 5.865 30 20 IKED COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 609207296 OKTMHAQMTRGFCE-LJQANCHMSA-N 429.520 5.048 30 20 IKED COc1ccc(C(C)(C)CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC 609436030 FUOHOIBNKTZPNY-INIZCTEOSA-N 427.570 5.197 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 609460719 ABCCBUYGFHFVLU-GFCCVEGCSA-N 441.887 5.847 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(NCCc3ccccc3)cc2)c1 609477063 HLVQIRFTMJIYHI-UHFFFAOYSA-N 437.499 5.637 30 20 IKED COc1ccccc1-c1cccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c1 609527224 WVRVEZZSSVCBHQ-UHFFFAOYSA-N 427.504 5.028 30 20 IKED CCCOc1ccc(C(=O)N[C@H](C#N)c2ccccc2Br)cc1OCCC 609591019 OOMHPKRWMFMOSS-GOSISDBHSA-N 431.330 5.021 30 20 IKED Cc1nc(-c2ccc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)cc2)n[nH]1 609724326 KHXKYELJHCLXJM-UHFFFAOYSA-N 429.867 5.350 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2C[C@H]3CCCN3c3ccccc32)c1 609727222 FGXTZVMFXKRMRT-GOSISDBHSA-N 429.907 5.633 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H](C)Cc2cccc(C(F)(F)F)c2)c1C 610053952 BQBPVYSSOICYIM-AWEZNQCLSA-N 426.442 5.197 30 20 IKED COc1ccc(CN[C@H](C)c2ccccc2-c2ccc(Cl)cc2)cc1OCCCC#N 610089337 NOVXTHPQIGALBH-LJQANCHMSA-N 434.967 6.549 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3nnn(C4CC4)c3C(F)(F)F)cc2Cl)cc1 610396547 HVCNLBIFCRJBJN-UHFFFAOYSA-N 447.804 5.201 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(Br)c(F)cc1Cl 610634878 XORPYMVXYTVLFW-FZKQIMNGSA-N 436.712 5.545 30 20 IKED COC(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1F 610871106 BDPAPCAUNRMWMX-AWEZNQCLSA-N 449.290 5.533 30 20 IKED CCCOc1ccc2c(c1)CCN(C(=O)Nc1ccc(Oc3cccc(C#N)c3)nc1)C2 610935814 FZXJJCXFMSEIPV-UHFFFAOYSA-N 428.492 5.125 30 20 IKED C[C@@H](C#N)CN(C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F)C1CC1 611096784 HFBJHSCEXGDZPA-AWEZNQCLSA-N 430.430 5.114 30 20 IKED C[C@H](NCc1cn2cc(Br)ccc2n1)c1ccc(-c2cccc(C#N)c2)cc1 611807149 MHRQTAKBYBBQBH-INIZCTEOSA-N 431.337 5.486 30 20 IKED N#C[C@H](C(=O)c1ccccc1OCc1cscn1)c1nc2cc(Cl)ccc2s1 613407107 IYLBFSWXXUPVMD-OAHLLOKOSA-N 425.922 5.475 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)C2CCCCC2)nnc1-c1cccnc1 613991914 RZHGLMKRJYTEAZ-QHCPKHFHSA-N 447.608 5.056 30 20 IKED C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1 618878740 YDMLKBMIBCDZRM-XDHUDOTRSA-N 441.556 5.154 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OCc4ccccc4)cc3)n2)cc1 619756431 GCCMJUDCIIFTGX-HSZRJFAPSA-N 440.524 5.888 30 20 IKED C=CCn1c(SCC(=O)N(Cc2cccs2)C2CC2)nnc1-c1ccc(Cl)cc1 642020959 GXOJEXAPRFHAPS-UHFFFAOYSA-N 445.013 5.129 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 642282380 LXFPVXQGAKJDQG-AWEZNQCLSA-N 442.878 6.007 30 20 IKED C=CCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1nc(-c2ccccc2)cs1 648050956 ZCZWWRPZTDEAKA-UHFFFAOYSA-N 449.963 6.270 30 20 IKED O=C(NCCCc1c[nH]c2ccc(F)cc12)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 669788608 RLCUXZBRJXNQHZ-BETUJISGSA-N 439.375 5.012 30 20 IKED C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674431761 CPNRBOZBJLCLPU-OASPWFOLSA-N 436.318 5.019 30 20 IKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc(C)c(C)c1 726571079 DIICDPRLQKMCPM-UHFFFAOYSA-O 448.999 6.002 30 20 IKED N#CCCCOc1cccnc1NC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 726958083 QEHZZLUDQTYCFD-AATRIKPKSA-N 443.347 5.454 30 20 IKED COc1cccc(C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)c2ncc[nH]2)c1 729240460 NFXDAYSOPKYNSP-HAHDFKILSA-N 440.499 5.429 30 20 IKED C#CC[C@@H](OC(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1)c1ccccn1 729798472 ODZZEECEJPMLEU-QGZVFWFLSA-N 429.307 5.014 30 20 IKED CC(C)c1cccc(O[C@H](C(=O)OCC(=O)Nc2sccc2C#N)c2ccccc2)c1 730645159 YCCINMWEOSWKKR-QFIPXVFZSA-N 434.517 5.045 30 20 IKED C[C@H]1CCc2sc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)cc2C1 731061069 OZAPHMNOMXWPED-LSDHHAIUSA-N 428.579 5.063 30 20 IKED Cc1cc(C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)c(C)n1[C@H](C)c1ccccc1 731196413 CZIHJZXOODBQRR-OPAMFIHVSA-N 441.453 5.608 30 20 IKED COc1cc(C(=O)/C=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1SC(F)F 733084055 WGCPNFQAIFDZQS-SREVYHEPSA-N 448.472 5.938 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(Cc2cccc(C)c2)Cc2ccco2)ccc1OC 733656083 HFFMKJCTUBRZJD-QFIPXVFZSA-N 447.535 5.190 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)NCc3cccc(O[C@H](C#N)CC)c3)s2)cc1 733770280 FPYDCFVZJWLPCA-IBGZPJMESA-N 435.549 5.128 30 20 IKED CN(C)C(=O)Sc1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1 734321685 VDSOMRFXQANSGD-UHFFFAOYSA-N 431.517 5.163 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N3CCC([C@@H](O)c4ccc(Cl)cc4)CC3)c2)cc1 737858727 ZQFUEPJAJYIGQC-VWLOTQADSA-N 445.950 5.541 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccc(OC[C@H]4CCCO4)cc3)c2)s1 740441636 XIWIXNPVBAFGKG-OAQYLSRUSA-N 433.533 5.166 30 20 IKED Cc1ccc(Sc2ncccc2C(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)cc1C 741832624 XCLNDDNVFJPKOA-UHFFFAOYSA-N 442.500 5.128 30 20 IKED N#Cc1ccccc1N1CCC(NC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)CC1 742193330 GJGJFJHNHZZYDG-NHCUHLMSSA-N 442.588 5.003 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1F 743238159 LMXRSRZJHVXXJL-UHFFFAOYSA-N 430.483 5.412 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 744015982 GLUVDOMZKIPPJJ-LJQANCHMSA-N 440.503 5.320 30 20 IKED CC(=O)CCc1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 745313716 VITXFORIIAMZBC-KDOFPFPSSA-N 426.925 5.115 30 20 IKED C[C@H](OC(=O)[C@H]1CCSc2ccccc21)C(=O)Nc1sc2c(c1C#N)CCCCC2 745424336 KKNAVXVILRKKTD-YOEHRIQHSA-N 440.590 5.038 30 20 IKED CSc1nc(C2CC2)cc(C(=O)O[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)c1C#N 746062781 GPMQMTCFHZLJMH-LLVKDONJSA-N 440.912 5.174 30 20 IKED CCC(=O)Nc1ccc(C2=NNC(=Nc3cc(C(F)(F)F)ccc3Cl)SC2)cc1 749963275 LIQQAEVYOHUREJ-UHFFFAOYSA-N 440.878 5.436 30 20 IKED CCN(CC)C(=O)COc1ccc(C(=O)/C=C\c2cnc(-c3cccs3)s2)cc1 751513072 NNSXMCCEQOHRQL-QXMHVHEDSA-N 426.563 5.015 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2sc(-c3ccc(Cl)s3)nc2C)cc1C#N 752193531 IJFBFTVIZMYMDP-UHFFFAOYSA-N 446.941 5.526 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)cc1C#N 752248924 WSDIMAMMXZMGTI-UHFFFAOYSA-N 437.500 5.064 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N[C@H]3CCO[C@@H](c4ccc(F)cc4)C3)c2)s1 754210115 QHFOVSARNFMBMW-RBBKRZOGSA-N 435.524 5.145 30 20 IKED CCC(CC)C(=O)N1CCC(=NOCc2ncc(-c3ccc(Br)cc3)o2)CC1 754277581 LZDHGGSZOYNPCD-UHFFFAOYSA-N 448.361 5.035 30 20 IKED C=CCOc1ccc(/C=C\C(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)cc1OC 756028933 USKBNBDBJFNHPE-SDQBBNPISA-N 438.911 5.206 30 20 IKED C#CC[C@H](NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccccc1 757613501 MVZXCYJKDWLSNQ-FQEVSTJZSA-N 434.565 5.016 30 20 IKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C2CC(F)(F)C2)c1 757897178 FLZRFIRTUDHJRA-LJQANCHMSA-N 443.519 5.061 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H](O)c2cc3ccccc3s2)cc1 758330341 PGESAHSZPBERRT-OAQYLSRUSA-N 444.581 5.529 30 20 IKED Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)CCCCOc1cccc(C#N)c1 760026059 DBYRBIVCVPLBHV-NRFANRHFSA-N 442.991 5.285 30 20 IKED CC(=NNc1cc(C(F)(F)F)ccc1F)c1ccc(CNC(=O)OC(C)(C)C)nc1C 760246219 HUJULRMKZWPXAD-UHFFFAOYSA-N 440.441 5.409 30 20 IKED COc1ccc(C[C@H](C)CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC 762941062 WROIHGDRVBCQFF-YADARESESA-N 443.547 5.360 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(Sc2ccccc2Cl)nn1 769684346 HMIAGVWRGOLCAC-UHFFFAOYSA-N 445.935 5.030 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 772645801 PWEYDCIZDKEMII-KRWDZBQOSA-N 449.297 5.293 30 20 IKED C[C@@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1cn(C)c2ccccc12 773984911 WYIJNNJTSNTKFZ-DOMZBBRYSA-N 427.451 5.787 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 777287500 VQBXFXMUHQQBPW-CTNGQTDRSA-N 445.519 5.024 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)OCc2ccc(C#N)cc2Br)s1 778084526 FFYQYTPHSGRVCZ-UHFFFAOYSA-N 433.352 5.100 30 20 IKED CC(=NNc1nc2cc(Cl)ccc2cc1C)c1ccc(S(=O)(=O)CC(F)F)cc1 778552667 WKVZNNZWWKPFRZ-UHFFFAOYSA-N 437.899 5.072 30 20 IKED CC(=O)N(c1nc(COC(=O)C2(c3ccc(C#N)cc3)CC2)cs1)c1cccc(C)c1C 781394467 KISYGFKKYQQYBO-UHFFFAOYSA-N 445.544 5.091 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H](c2ccc(Br)s2)C2CC2)ccc1OC 784042145 GZFDIIJOUYYXDG-MGPUTAFESA-N 435.387 5.441 30 20 IKED Cc1cc(NC(=O)/C=C\c2ccccc2C#N)cc(C)c1NC(=O)/C=C/c1ccccc1C#N 785527582 XRRRKDBIWXGLJV-HEEUSZRZSA-N 446.510 5.351 30 20 IKED CCOc1ccc(-c2nc(CC)c(C(=O)Nc3ccc(F)cc3OCC#N)s2)cc1 791642698 QGDZNOBKIFGDLM-UHFFFAOYSA-N 425.485 5.065 30 20 IKED CC(=O)N(c1nc(COC(=O)c2ccc(C(C)(C)C#N)cc2)cs1)c1cccc(C)c1C 796040545 ZJJYNPPXLTXBDF-UHFFFAOYSA-N 447.560 5.603 30 20 IKED CC(C)(C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc2c(c1)OCO2 796756578 NFHCSEHILWDCJZ-CYBMUJFWSA-N 432.423 5.198 30 20 IKED CCCCCCn1nc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c2ccccc2c1=O 797568661 KWZCIPOQASSMKU-SFHVURJKSA-N 436.581 5.221 30 20 IKED CC(C)(C)n1ncc2c(O)nc(NN=C3CC[C@@H](c4ccc(C(F)(F)F)cc4)C3)nc21 799480344 KDADHVPFAYNXCG-CYBMUJFWSA-N 432.450 5.041 30 20 IKED C[C@@H](C#N)OCCSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 801655233 TXOHPSSIDHSQHK-AWEZNQCLSA-N 433.364 5.321 30 20 IKED CCOC(=O)[C@H]1C/C(=C/c2csc(-c3cccc([N+](=O)[O-])c3)n2)C(=O)c2ccccc21 802708506 VBXSXRVQKFCPGL-ZRGSNEMSSA-N 434.473 5.035 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1COC(=O)NC1CCCCC1 806452324 WFYSZUPSAADOCU-NRFANRHFSA-N 427.589 5.594 30 20 IKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1CC(C)(C)CCC#N 807929583 KZJNICVTOLNWSA-NRFANRHFSA-N 448.592 5.285 30 20 IKED N#C[C@H](C(=O)CSCc1ccc(Br)cc1F)c1cc(C(F)(F)F)ccn1 813212613 DGVRIKIWVZVJGP-ZDUSSCGKSA-N 447.251 5.112 30 20 IKED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(C)C)cc2)N([C@@H](c2ccccc2)C2CC2)C1=O 914542668 HKDBBYDAOKDZQR-GMAHTHKFSA-N 435.593 5.029 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@@H](C)c2cc(C)sc2C)cc1 914694529 NEVOLRASTAYYJV-YWZLYKJASA-N 441.622 5.035 30 20 IKED CCc1ccccc1NC(=O)CN(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915352449 ILMSNMPMCXRVNR-QHCPKHFHSA-N 426.520 5.007 30 20 IKED FC(F)(F)c1ccccc1NN=Cc1sc(N2CCOCC2)nc1-c1ccccc1 916259800 MDBUHASNSXGTJR-UHFFFAOYSA-N 432.471 5.112 30 20 IKED C=CCOc1ccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1 916272928 NQZYQUPWWTVJRR-UHFFFAOYSA-N 435.936 5.534 30 20 IKED CC(C)c1ccc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)cc1[N+](=O)[O-] 916278751 SYOKEKJMXLNEDE-UHFFFAOYSA-N 431.521 5.225 30 20 IKED Cc1sc2ncn(N=Cc3ccc(N4CCCCC4)s3)c(=O)c2c1-c1ccccc1 916284319 XGDBDIKXDQSBBK-UHFFFAOYSA-N 434.590 5.367 30 20 IKED O=C(Nc1cccc(C=Nn2c(S)nnc2-c2ccccc2)c1)c1ccccc1Cl 916307482 GKTWLGUEEIPDQW-UHFFFAOYSA-N 433.924 5.022 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1ccc2ccccc2n1 916848517 LFYALJRPAZELLQ-NQIIRXRSSA-N 438.314 5.023 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(OCc3csc(C)n3)c2)cc1 916955841 VFSANODILSMWEE-QMHKHESXSA-N 447.560 5.505 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 917043633 LHJNBUIYPQVFEC-OAHLLOKOSA-N 427.913 5.787 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@@H](C#N)c1nc2ccccc2o1 920115571 IDGQZHWJRMCLOX-XJKSGUPXSA-N 437.908 5.634 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(Cc4ccccc4)n3)n2)cc1 920138794 JRVZYDPSSUSYGF-HXUWFJFHSA-N 445.569 5.285 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)OC[C@H](C#N)Cc3ccc(F)cc3)c12 920877700 MSFCEASITDODMN-KRWDZBQOSA-N 434.515 5.051 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc5occ(Cl)c5c4)CCC3)cc2)C1 1785808740 ZTJRRWWHLTXCJP-UHFFFAOYSA-N 434.923 5.800 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@]4(F)CCCC=C4F)CCC3)cc2)cc1 1790708193 UJAMNGFRHURBCE-AREMUKBSSA-N 449.501 5.246 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(F)c(OCC)c(Cl)c3)cc2)CCC1 1790729428 MGSVMXFXCFAGJY-UHFFFAOYSA-N 442.918 5.039 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cn4c(F)cccc4n3)cc2)CCC1 1790918468 AQRUTIKTQWXSQP-UHFFFAOYSA-N 448.542 5.214 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H](CC)c2ccccc2)[C@@H]1c1cccnc1 1806273093 ZNTVQWMQCQTQEI-POTDNYQPSA-N 445.607 5.050 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C3CC3)cc2)[C@@H]1c1cccnc1 1811835841 XRVICHJDXGQBJJ-FTJBHMTQSA-N 443.591 5.047 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccccc2)CC1 1831370757 OXBFXJNKZLLOBV-OFVILXPXSA-N 445.607 5.194 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccc(F)cc1 21996207 RLHZGBWMGUOVAR-UHFFFAOYSA-N 444.535 5.668 30 20 IKED C=CCN(Cc1cccs1)C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 22047981 ZFQWFCBXEIEZIF-UHFFFAOYSA-N 442.610 5.412 30 20 IKED N#CCCCCOC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc3c(c1)OCO3)CC2 25394680 JAXKSBILUHELBW-NBVRZTHBSA-N 426.472 5.301 30 20 IKED N#Cc1c(NC(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)sc2c1CCCCC2 28807110 WRMZFTIHVPOZFS-UHFFFAOYSA-N 443.985 5.058 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 29786011 PZEBJKMZBATZIT-ZDUSSCGKSA-N 431.439 5.030 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)Cc3csc(Cc4ccc(F)cc4)n3)cc2)c1 78719898 VOEAAUFJQUQVEZ-UHFFFAOYSA-N 443.503 5.718 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 108593222 QTXNAJVCPZOMLQ-JOCHJYFZSA-N 437.927 5.162 30 20 IKED N#C[C@@H](C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)c1nc(-c2ccncc2)cs1 195662579 PCZDXRJUOJWRRF-URXFXBBRSA-N 449.539 5.389 30 20 IKED CC[C@@H](C#N)Oc1cc(CNCc2cn(-c3ccccc3)nc2C(C)(C)C)ccc1OC 237021657 YDASUBFHILJWOV-QFIPXVFZSA-N 432.568 5.149 30 20 IKED CC(=O)Nc1cc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)ccc1C 303684776 ZRKVITSFHIAESJ-UHFFFAOYSA-N 448.910 5.702 30 20 IKED Cc1noc(C[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c2ccccc2)n1 429765429 KLNNPFKXIZZAOQ-QHCPKHFHSA-N 439.475 5.148 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NC(=O)N[C@H](CCCC#N)c3ccccc3)s2)cc1 431939235 QVSBSNTUVJFUII-PGRDOPGGSA-N 448.592 5.923 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1cccc(C#N)c1C 432841663 RNEJJYPHKFUVQW-UHFFFAOYSA-N 427.888 5.534 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)cc1 432918605 QFVBDEGHZPXYEI-SANMLTNESA-N 437.543 6.091 30 20 IKED CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)C1(c2ccc(C#N)cc2)CC1 435817375 NUTAEYIHQJNKHJ-UHFFFAOYSA-N 432.527 5.101 30 20 IKED CC(C)Cn1cc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c(C(F)F)n1 435902847 OLRHUIJZLMOHOV-ZDUSSCGKSA-N 435.544 5.118 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2c(-c3ccc(Cl)cc3Cl)noc2C)cc1 436143468 WWKHANXAYHSGKT-UHFFFAOYSA-N 430.291 5.125 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1F 437471433 KUKLGOYCXYITPZ-UHFFFAOYSA-N 434.442 5.316 30 20 IKED C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1=O 437481538 BCTGUFUXSKOBJQ-XLIONFOSSA-N 443.478 5.038 30 20 IKED CN(C[C@@H]1OCCc2ccccc21)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438653960 GTUMYKWDCUDHFT-DEOSSOPVSA-N 431.467 5.267 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCCCC[C@H]2c2ccncc2)cc1F 438668259 WRAAVBHCLBXPFK-QFIPXVFZSA-N 430.483 6.034 30 20 IKED CC[C@H](C)n1c(SCC(=O)N[C@@H](CCC#N)c2ccccc2)nnc1-c1ccccc1 439676779 XXWXAUATFIWBFR-RXVVDRJESA-N 433.581 5.169 30 20 IKED N#C[C@H](C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cn1 442028138 JCAVDCJSZFQLPA-HNNXBMFYSA-N 443.406 5.650 30 20 IKED C[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Br)s1 444785953 RTQUHHJJBGSGDA-OLZOCXBDSA-N 438.416 5.194 30 20 IKED CN(C(=O)COC(C)(C)C(F)(F)F)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 448340764 YCFRNYPJSGLUEM-LBPRGKRZSA-N 425.291 5.125 30 20 IKED CCc1nc(C)c([C@H](C)N(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)s1 461473938 JLLYTLSEKFJVOQ-INIZCTEOSA-N 448.621 5.451 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 464411294 ZCAXHYHYDWQROQ-AWEZNQCLSA-N 439.315 5.573 30 20 IKED Cc1csc([C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)n1 466092180 MOLLRWKYTYFZKR-FPOVZHCZSA-N 436.968 6.033 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@H](C)c2cc3ccccc3s2)nnc1-c1ccco1 468294609 FXIXHAODDDDCLN-OAHLLOKOSA-N 438.578 5.298 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)NCC3(Cc4ccccc4)CCCC3)ccc21 470543779 YIQZXKXGIVBEHD-UHFFFAOYSA-N 444.579 5.194 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 475559353 CRBMFRIGADHEFE-IBGZPJMESA-N 442.563 6.069 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 475559479 OXXBODRDKOBOAS-DEOSSOPVSA-N 434.971 6.235 30 20 IKED CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1 477725744 ZPZFRQCAUXXOQN-IBGZPJMESA-N 439.459 5.029 30 20 IKED Cc1nc([C@H](C)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)oc1-c1ccc(Cl)cc1 477762882 CPGAHVUENBQBNQ-KRWDZBQOSA-N 448.954 5.587 30 20 IKED O=C(c1ccccc1C(F)(F)F)N1CCC(NCc2cc(F)cc(C(F)(F)F)c2)CC1 479414734 GCWTUVNUBZWTJJ-UHFFFAOYSA-N 448.382 5.258 30 20 IKED COc1cc([C@@H](C)NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc(OC)c1OC 479511274 ITIHQBRWINFAIX-MRXNPFEDSA-N 448.544 5.226 30 20 IKED CCC(C)(C)OCc1ccccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 480263804 KPGMKPQASKWYAR-UHFFFAOYSA-N 439.531 5.478 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccc(O[C@H](C)CC)cc2)nnc1-c1ccco1 481146056 WSOWEAQEZHJEET-MRXNPFEDSA-N 426.542 5.022 30 20 IKED N#CC[C@@H](CC(=O)N(C[C@H]1CCCO1)c1ccc(Br)cc1)c1ccccc1 483343255 PSIJXJJXVNNTJG-GHTZIAJQSA-N 427.342 5.049 30 20 IKED CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 486446921 NCRUZJRTXJQKNG-JOCHJYFZSA-N 433.483 5.108 30 20 IKED CCn1c(NC(=O)c2ccc(SCc3csc(C)n3)cc2)nc2cc(C#N)ccc21 490772362 IPVKTIOEQOUHQP-UHFFFAOYSA-N 433.562 5.237 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(-c2ccncc2)cc1 491300926 PKUHRFJGRGZJNS-HXUWFJFHSA-N 449.579 6.404 30 20 IKED Cc1sc2ncnc(Sc3ccccc3C(=O)N(C)Cc3cccc(C#N)c3)c2c1C 498484526 GKBYWLLRIIGADA-UHFFFAOYSA-N 444.585 5.603 30 20 IKED CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)c1 502213383 PMGSCZCPRVRFIA-LJQANCHMSA-N 441.531 5.052 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)s2)c(F)c1 502754847 CDJGLMWALMZLCR-AWEZNQCLSA-N 429.542 5.510 30 20 IKED Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 505329598 DSBOKEICSKOBSY-HSZRJFAPSA-N 443.528 5.214 30 20 IKED CN(Cc1nc2ccccc2s1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511337128 DWTIWVRRSBXLBE-UHFFFAOYSA-N 442.544 5.605 30 20 IKED CC(C)(C)c1csc(C2CCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC2)n1 511378844 MUKVGTISTQMHNR-UHFFFAOYSA-N 445.588 6.124 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N(Cc3ccc(F)cc3)C3CC3)c2)c1 511535807 AZYWHGFQFKQSNO-UHFFFAOYSA-N 428.467 5.146 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3cc(F)ccc3SCC(F)F)CC2)c(F)c1 513400157 BLOLHPAGNWUQPQ-UHFFFAOYSA-N 437.462 5.049 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2nc(-c3ccc(Cl)c(Cl)c3)oc2C)cc1 513679575 GPVLCORPQJMHQD-UHFFFAOYSA-N 430.291 5.125 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(-c3nccs3)cc2)cc1 513943910 HKKPVCJTRFWHJP-UHFFFAOYSA-N 442.519 6.055 30 20 IKED N#CCCn1cc(C(=O)CSc2nc(-c3ccco3)nc3ccccc23)c2ccccc21 514761322 CUXNJHXNEVAXGM-UHFFFAOYSA-N 438.512 5.733 30 20 IKED N#Cc1c(F)cccc1-n1ccc(NC(=O)c2sc3ccccc3c2Br)n1 515718548 JMMUNZRFKNJLOD-UHFFFAOYSA-N 441.285 5.113 30 20 IKED Cc1ccc(Cn2nc(C)c(CCC(=O)Nc3ccccc3S[C@H](C)CC#N)c2C)cc1 518241154 YRTLKSJXHYZHNR-LJQANCHMSA-N 446.620 5.822 30 20 IKED N#C[C@H](NC(=O)COc1ccccc1OCc1ccccc1)c1cccc(C(F)(F)F)c1 518849275 XSEKZDCOBPSMMO-FQEVSTJZSA-N 440.421 5.044 30 20 IKED Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 518932035 KJQXRJMVGBFSEU-UHFFFAOYSA-N 436.471 5.280 30 20 IKED COc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 519414322 GTERDZNCXITHLZ-MRXNPFEDSA-N 438.578 5.006 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 520809845 UFIOVQKCWQEKAH-UHFFFAOYSA-N 429.549 5.307 30 20 IKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 520913916 XENPOPNAZNELOR-GOSISDBHSA-N 445.544 5.358 30 20 IKED CCCCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)C1CC(C)(C)NC(C)(C)C1 521136534 MONMZTRWULJTAY-UHFFFAOYSA-N 437.584 5.282 30 20 IKED COc1cc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)ccc1OC(F)F 521810750 BARGOCCOKZEZJZ-UHFFFAOYSA-N 439.418 5.282 30 20 IKED C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 522327710 SIEUXXHJHLPWHB-QGZVFWFLSA-N 432.455 5.079 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccccc3OCc3cscn3)c2)cc1 523124542 UJJZEUHZVJMYCG-UHFFFAOYSA-N 426.501 5.590 30 20 IKED C[C@H](c1ccccc1)N1CCC(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 523811338 BGSSNTQQFWMNNS-OAQYLSRUSA-N 439.559 5.500 30 20 IKED CCn1cc(Br)cc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 524406325 YTDNKFUVOCIFBS-UHFFFAOYSA-N 438.325 5.282 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2)cc1 524931948 MEOCXDSAOUEWFP-QHCPKHFHSA-N 445.507 5.787 30 20 IKED Cc1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)ccc1C(=O)N(C)C 525367332 STYRIUWLWIRPRT-UHFFFAOYSA-N 433.895 5.267 30 20 IKED C=CCC[C@H](NC(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2)c1ccc(C(F)(F)F)cc1 533088178 NQSKWIQRGDBAGQ-KUHUBIRLSA-N 431.458 5.268 30 20 IKED CC(=O)N1CCCc2cc(NC(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)ccc21 535582527 HYDYCPTXVGGZCU-UHFFFAOYSA-N 445.906 5.555 30 20 IKED C[C@@H](c1ccccc1C(F)(F)F)[C@@H](C)NCC(=O)Nc1ccccc1SC[C@H](C)C#N 542561812 JSJZSRLEEJICLY-BRWVUGGUSA-N 449.542 5.677 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CN[C@@H](C)c2sc(-c3ccccc3)nc2C)c1C 543518817 YUNKIQODKAYYFS-IBGZPJMESA-N 432.593 5.333 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(OCC4CC4)c(Cl)c3)n2)cc1 544152617 OOBFMAIAXNBEES-QGZVFWFLSA-N 439.924 5.146 30 20 IKED CC(C)(C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1csc(-c2ccccc2F)n1 555901940 TXGUUSDDTDWZAI-UHFFFAOYSA-N 449.551 5.168 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(N3CCC(O)CC3)cc2)cc1Cl 558682896 SOANODSYQOKFDC-XMMPIXPASA-N 445.950 5.209 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccccc1CN(C)C1CCCCC1 562023260 CIDUKSGUPVIWFR-UHFFFAOYSA-N 425.573 5.147 30 20 IKED Cc1sc(Br)c(C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)c1C 563502807 ACMLSHIHZORGRZ-LBPRGKRZSA-N 433.249 5.021 30 20 IKED N#Cc1cccc(-c2cc(C(=O)N3CCC(c4ccc(OC(F)(F)F)cc4)CC3)on2)c1 568672893 NAVUJTIGAVRKLN-UHFFFAOYSA-N 441.409 5.132 30 20 IKED N#CC1(c2ccccn2)CCN(CC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)CC1 583487462 PVEFKOUHPUZAJR-UHFFFAOYSA-N 446.938 5.023 30 20 IKED N#CCCCCCC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 588675121 YMCUBFIGDQVMHH-CQSZACIVSA-N 434.302 5.918 30 20 IKED CCOC(=O)c1ccc(C#N)c(S[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)n1 603909817 RPKRADLRLFZUIV-MRXNPFEDSA-N 431.517 5.236 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 604490823 GCWWSHQPHHDRRL-UHFFFAOYSA-N 449.558 5.163 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(N2CCCC2=O)ccc1Cl 606766994 JYFMOKCWVVRIBA-UHFFFAOYSA-N 438.833 5.303 30 20 IKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)CCc1c(C)nc(O)c(C#N)c1C 609067414 YYNKLGXSOTVFQQ-LJQANCHMSA-N 429.520 5.295 30 20 IKED CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609078577 AQHAGKPVCRDYNU-UHFFFAOYSA-N 443.503 5.228 30 20 IKED CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)NCc1ccc(C#N)cc1F 609252538 HJUSJTCVFGWZIP-UHFFFAOYSA-N 445.416 5.708 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1NC(=O)c1ccccc1F 609377272 ACTMWISOUPNQPA-INIZCTEOSA-N 447.535 5.891 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C3(c4cccc(Cl)c4)CCOCC3)cc2)c1 609427452 YIUYPUOKVSLBPH-UHFFFAOYSA-N 432.907 5.691 30 20 IKED COc1ccc(C[C@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC 609434569 YZJQVSPLQALOCO-KRWDZBQOSA-N 431.492 5.120 30 20 IKED CC(C)CC(=O)Nc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1F 610224114 BFBNCLGIQVCXJI-UHFFFAOYSA-N 445.494 5.513 30 20 IKED CN(Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 610324160 CSZNIJMPEPPYDY-HSZRJFAPSA-N 426.520 5.089 30 20 IKED C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cccc(NC(=O)Cc2ccccc2F)c1 611390712 QEBSIXIZMDPXAX-HFJWLAOPSA-N 427.523 5.607 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C4CC4)nc4c3cnn4C(C)C)n2)cc1 642281301 XFYMAZZRXLTVQD-IBGZPJMESA-N 441.560 5.812 30 20 IKED CC(C)(CNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(F)cc1Cl 674432541 DHOOGYRKNNHFPR-RYUDHWBXSA-N 434.783 5.139 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 684363154 MNOAOMYBMSKUFL-RZLSGREXSA-N 440.403 5.671 30 20 IKED O=C(c1cc(F)c(Br)cc1Cl)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 684451683 FFXTZMNBVGQERD-KNVOCYPGSA-N 442.556 5.054 30 20 IKED CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1OCC 726626754 KXIWGRACLTWYNT-VXLYETTFSA-N 444.965 5.415 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3cccc(OC4CCCC4)c3)n2)cc1 727955683 NCFJWMHEYCKDMY-HSZRJFAPSA-N 446.572 5.949 30 20 IKED N#Cc1cccc(COc2ccc(NCc3cc(=O)oc4cc5c(cc34)CCC5)cc2F)c1 728300118 YQLGFNRBPSEFPB-UHFFFAOYSA-N 440.474 5.484 30 20 IKED C[C@@H](Sc1nnc(-c2ccccc2)s1)C(=O)Nc1sc2c(c1C#N)CCCCC2 729940160 MKZTZVLTBOISHB-CYBMUJFWSA-N 440.619 5.526 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2nc(C)c(-c3ccccc3)o2)cc1 730396112 NHHJVENAKYYULB-VGOFRKELSA-N 429.520 5.444 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C(c1ccccc1)c1ccccc1 731062341 IXWHOVKZZHVXOK-LJQANCHMSA-N 444.556 5.395 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](CC(F)(F)F)c1ccc(Br)cc1 731995416 ZRLWIPNUMFIIML-SJKOYZFVSA-N 442.231 5.325 30 20 IKED Cc1ccc([C@@H]2CCC[C@H]2OC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 734089739 VWWWFXGDOONYOB-RBBKRZOGSA-N 445.519 5.211 30 20 IKED COC(=O)[C@@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)c1ccc(C#N)cc1 741736216 JLTAQXYYOZQRME-HNNXBMFYSA-N 433.967 5.195 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 742577318 XLKGOFRSTKVVAI-VGSWGCGISA-N 437.540 5.186 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C(/C)c1ccccc1C(F)(F)F 744028490 IRSWWCINZYLLPY-RXHHAWBHSA-N 428.454 5.581 30 20 IKED COCCCn1c(NN=C(C)c2cc3c(ccc4ccccc43)o2)nc2ccccc2c1=O 744788352 ZOJYODALCBBYQQ-UHFFFAOYSA-N 440.503 5.169 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](CO)c2ccc(C(F)(F)F)cc2)cc1 759910896 KALZEPCPYPCXQF-FGZHOGPDSA-N 439.437 5.216 30 20 IKED Cc1sc2ncn(N=Cc3cc(F)ccc3Br)c(=O)c2c1-c1ccccc1 761248462 DTLVCSFXQHLLIQ-UHFFFAOYSA-N 442.313 5.217 30 20 IKED Cc1c(COc2ccccc2)cccc1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 761883045 XNAVCWICHOFZLK-VWLOTQADSA-N 427.504 5.051 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(-c2ccco2)s1 766257975 SVAIAUCIQPLEMH-KRWDZBQOSA-N 428.469 5.762 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cn(CCCC#N)c3ccccc23)cc1 774050628 GHCBHUWFNKTCQB-AVRDEDQJSA-N 426.520 5.420 30 20 IKED CCCC[C@@H](ON=C(C)C)C(=O)Nc1cccc(C(=O)N2CCc3sccc3C2)c1C 781069598 ZJRAGEDFYLBKQQ-OAQYLSRUSA-N 441.597 5.165 30 20 IKED C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 783071648 KRKQCFMXIHKRNW-SCLBCKFNSA-N 441.434 5.344 30 20 IKED FC(F)(F)Oc1cccc(NC(=S)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 783740183 UYLAFURROKMCHP-UHFFFAOYSA-N 426.304 5.099 30 20 IKED CSCc1cc(C(=O)[C@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)ccc1F 787046581 RLIQUZAPLPKIGF-BZNIZROVSA-N 439.339 5.195 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)nn1C1CCCCC1 787047122 ASXJYIXKIHXNIV-KDOFPFPSSA-N 447.366 5.203 30 20 IKED CCN1C/C(=C/c2cnc(-c3ccco3)s2)C(=O)/C(=C/c2cnc(-c3ccco3)s2)C1 789127925 PJKHGOZJMQOHSU-CKOAPEAFSA-N 449.557 5.491 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(C(=O)N(C)C)cc2)ccc1OCc1ccc(F)cc1 792924730 HAFUNUOKPVBCGI-NSIKDUERSA-N 433.479 5.011 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2cccc3cccnc23)cc1 796798353 LDZOUWGZYMZXQS-FQEVSTJZSA-N 425.875 5.516 30 20 IKED C[C@@H](Sc1ccc(Cl)cc1)C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 799839635 FWWQCVHDIAYHES-OAHLLOKOSA-N 426.925 5.115 30 20 IKED O=C([C@@H](F)c1ccc(C(F)(F)F)cc1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 801685579 WLLBJEOSSZOXLL-FZMZJTMJSA-N 440.384 5.598 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(Oc2ccccc2Cl)CC1 802580174 LXLQRDGURFMBOL-UHFFFAOYSA-N 444.366 5.271 30 20 IKED C[C@H](OC(=O)c1cc(C#N)ccc1Cl)C(=O)N1c2ccccc2Sc2ccccc21 803834924 XLKNTNQINYHRPC-AWEZNQCLSA-N 434.904 5.586 30 20 IKED COC(=O)C[C@@](C)(NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(F)c1 806200603 IJRIRXSOCVOTCX-JYFHCDHNSA-N 445.494 5.081 30 20 IKED COC(=O)C[C@@](C)(NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(F)c1 806200605 IJRIRXSOCVOTCX-ZEQKJWHPSA-N 445.494 5.081 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(Cl)ncc2Br)cc1 810115002 QHPXENJHDIEQOM-KRWDZBQOSA-N 426.701 5.405 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccsc3)N(CCCCF)C2=O)c1 812222519 NCKBUQYHFFUHEL-GOSISDBHSA-N 433.574 5.075 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCOc2cccc(Br)c2)cc1 915181081 WXMVHKFCXHALLY-QFIPXVFZSA-N 435.321 5.512 30 20 IKED CC(C)c1ccccc1NC(=O)COC(=O)c1ccc(OCc2ccccc2C#N)cc1 915512514 WFTTWNYWCULXQF-UHFFFAOYSA-N 428.488 5.056 30 20 IKED C(=NNCc1cccc2cccnc12)c1ccc(C=NNCc2cccc3cccnc23)cc1 915962372 IUGWYNIYSMDTDD-UHFFFAOYSA-N 444.542 5.030 30 20 IKED N#C[C@H](C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1ccc(Cl)cc1 916882450 FGYSJGQUIQLUIV-RILLQZAHSA-N 427.209 5.373 30 20 IKED CCc1c(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)oc2ccc(C)cc12 917559774 NPJCVAJCDILBMC-FMIVXFBMSA-N 444.556 6.649 30 20 IKED CCOC(=O)c1c(NC(=O)c2ccccc2OCC#N)sc(C)c1-c1ccc(C)cc1 919988063 IWUGCBRXEFXKNB-UHFFFAOYSA-N 434.517 5.363 30 20 IKED N#CCOc1ccccc1C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1F 920002724 GSPPOVGHINESFS-OAQYLSRUSA-N 439.284 5.010 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCc3ccc(Cl)c(Cl)c3)n2)cc1 920142530 QGEBZAKVYZEDHS-KRWDZBQOSA-N 440.355 6.188 30 20 IKED Cc1ccc(Cl)c(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 920805904 HAVCFEKNSHFGKM-OLZOCXBDSA-N 432.879 5.694 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/Cc3c(Cl)cccc3C2=O)cs1 921263919 KZNVJJLJDFLEHC-LCYFTJDESA-N 429.328 5.957 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)[C@@H](C)Sc3ccccc3)cc2)CCC1 1786287838 NBKDSFVEVHAQNA-GOSISDBHSA-N 440.634 5.221 30 20 IKED Cc1ccc(-c2cc(C(=O)NC3(c4ccc(NC(=O)C5(C#N)CC5)cc4)CCC3)c[nH]2)cc1 1787878194 LLNBCFOKBUQGHJ-UHFFFAOYSA-N 438.531 5.042 30 20 IKED CC(C)=CCCC(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788649984 LNBVYQURASSKHA-BUHFOSPRSA-N 436.577 5.368 30 20 IKED Cc1ccoc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1788694106 BPJZVUKLYPAJKR-GOSISDBHSA-N 427.504 5.277 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C(Cl)(Cl)Cl)CCC2)cc1 1789457822 AVXLYYHBMWFYKX-MRXNPFEDSA-N 429.775 5.259 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@H]4C4CC4)CCC3)cc2)c1Cl 1790082694 GLBMJIHAPXZFJT-LEWJYISDSA-N 433.939 5.005 30 20 IKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)CSC4CCCC4)CCC3)cc2)c1 1790795146 BKLZVJZDKZSXBR-UHFFFAOYSA-N 447.604 5.290 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(F)ccc3s1)C2 1798334812 LSFYWMIVQQOYOZ-IYWMVGAKSA-N 426.557 5.061 30 20 IKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2scc(-c3ccccc3)c2[nH]1 1799145633 ANVLESKNGOTZPC-FFGOWVMKSA-N 447.604 5.360 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3nc(C(C)C)cs3)C2)CC1 1807352621 WHIYDZVRNQVIBL-UHFFFAOYSA-N 431.646 5.104 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(C)ccc3[nH]2)[nH]n1 1819305470 KEBYCOFBZATOCP-CVDCTZTESA-N 445.567 5.274 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(F)c(F)c2C)n[nH]1 1823199252 LRALSFXDWBGRPU-UZLBHIALSA-N 442.510 5.071 30 20 IKED Cc1ccsc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823211030 JANVRPFQMMEIQE-UZLBHIALSA-N 447.564 5.026 30 20 IKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCC3CCCC3)CC2)c1 1826269779 UXHZSJYEBWZPSC-VWLOTQADSA-N 435.612 5.070 30 20 IKED Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)CCC#N)CC2)c2ccccc12 1826695349 OBKVKRGASCQOSB-SANMLTNESA-N 445.607 5.004 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccccc3o2)CC1 1828188158 JRMNRXZFFGBMPN-HSZRJFAPSA-N 434.580 5.435 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(C)cc2F)CC1 1832623379 OCWITKKQCNBUGK-HYBUGGRVSA-N 444.566 5.275 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)c(Cl)c1)[n+]1cccc(C)c1 14871889 WBXOZAXWNWDANY-UHFFFAOYSA-O 444.407 6.203 30 20 IKED Cc1ccccc1-n1c(SCC(=O)O[C@H](C)C#N)nnc1-c1ccc(Cl)cc1Cl 22846953 BCXARMGOHCESGH-CYBMUJFWSA-N 447.347 5.097 30 20 IKED CC(=O)N[C@@H](CC(=O)OCc1ccc(-c2ccccc2C#N)cc1)c1ccc(Cl)cc1 23464098 GNQOMOQGEMAPGL-DEOSSOPVSA-N 432.907 5.189 30 20 IKED C=CCNC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)cc1 29811634 RSHCZNQSRISTOF-GOSISDBHSA-N 446.576 5.584 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nc2sccc2c1=O 36800657 BSBFPKGZUVXQHY-JTQLQIEISA-N 440.377 5.070 30 20 IKED COc1cc(CN(C)C(=O)c2ccc(OCc3ccccc3C#N)cc2)ccc1SC 58777611 BTMPAOLMYGSMNI-UHFFFAOYSA-N 432.545 5.140 30 20 IKED COCCOc1ccc(C(=O)/C=C/c2ccc(-c3nc4ccccc4s3)o2)cc1OC 71923734 OKYXLGWIUDBFBH-CSKARUKUSA-N 435.501 5.486 30 20 IKED Cc1nc(NC(=O)C2(c3cccc(Br)c3)CCCC2)sc1SCC#N 97405241 KBYCHNVEDMUDHU-UHFFFAOYSA-N 436.400 5.280 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1cccc(COc2cccc(F)c2)c1)c1ccccc1 110931767 FYOQZGWOUZDDGB-UHFFFAOYSA-N 445.494 5.070 30 20 IKED N#C[C@@H](C(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1nc2ccccc2n1C(F)F 195696787 UWNWTANXLPEBAX-INIZCTEOSA-N 440.450 5.037 30 20 IKED COc1ccc(C=Nn2c(-c3ccccc3C)n[nH]c2=S)cc1OCc1ccccc1 254711466 YWDJYQUWTKUPHO-UHFFFAOYSA-N 430.533 5.386 30 20 IKED CCN(C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)[C@H](C)c1ccc(C#N)cc1 302978089 SNWQDGFOIFINLG-MRXNPFEDSA-N 439.437 5.988 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)cc1Cl 304062134 RLVDPQXMHRJTDA-BHDDXSALSA-N 444.918 5.509 30 20 IKED C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 435102738 JHXNOVZOJMIMEG-CPJSRVTESA-N 425.532 5.742 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H](CSc4ccccc4)C3)cc2)c1 438076279 TYHMLZLWZAKGTK-HXUWFJFHSA-N 429.545 5.997 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCc3cc(Cl)cc(Cl)c3C2)cc1 438689463 CSPFKUKIIUHNIZ-UHFFFAOYSA-N 444.362 5.398 30 20 IKED N#CC1CCC(CNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)CC1 441643110 IGUUITZXOINCMN-UHFFFAOYSA-N 436.409 5.483 30 20 IKED C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)c1cccc(SCC#N)c1 444080483 RZJZUEKNTRMUQC-CYBMUJFWSA-N 431.348 5.667 30 20 IKED CCc1ccc(-c2noc([C@H](C)NC(=O)c3cn(CCCC#N)c4ccccc34)n2)cc1 444273842 UMQNDBMLLIRZJG-KRWDZBQOSA-N 427.508 5.048 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCC(=O)c1ccc(F)c(F)c1 445774862 ORGJONYYTQIBMT-UHFFFAOYSA-N 434.442 5.326 30 20 IKED Cn1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(-c2ccoc2)n1 447481927 KTAQCWFBMMLPTA-UHFFFAOYSA-N 432.867 5.036 30 20 IKED CCc1ccc([C@@H](Nc2nc(C)c(C#N)cc2Cl)c2cccc(S(C)(=O)=O)c2)cc1 461945311 KPYGSPCNJUMGRH-JOCHJYFZSA-N 439.968 5.083 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)Cc2cccc3cccnc23)c1 462403220 XSVWSAJTXGUBGO-UHFFFAOYSA-N 447.947 5.296 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(-c3cscn3)c2)cc1 463609119 DKJNRXQXQAIXBF-UHFFFAOYSA-N 427.485 5.735 30 20 IKED Cc1cccc(Br)c1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 464402317 GFNYVFVQNRTKAB-OAQYLSRUSA-N 435.321 5.331 30 20 IKED COc1ccc([C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)c2ccccc2Cl)c(C)c1 466390292 TUISDYREBCUYLX-DEOSSOPVSA-N 433.939 5.460 30 20 IKED CSc1cc(Br)ccc1CNc1ccc2c(c1)CCC(=O)N2CCCC#N 469119736 YTPWUYNXCSAQBU-UHFFFAOYSA-N 444.398 5.366 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)cc1 469135841 XNMSYIFJESPZLQ-UHFFFAOYSA-N 435.483 5.143 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@@H](c4c(F)cccc4F)C3)c2)cc1 469447545 DANLFTAIPVFKKD-HXUWFJFHSA-N 447.485 5.631 30 20 IKED Cc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1C(=O)N(C)C(C)C 470442051 IYORVABKDBXCKO-UHFFFAOYSA-N 427.504 5.392 30 20 IKED C[C@H]1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)[C@H]1c1cccc(F)c1 470534057 XTCUHHZCJZZXDS-BXKMTCNYSA-N 434.515 5.024 30 20 IKED CCc1cc(C#N)c(NC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)s1 470905304 FJCCZVCBCMZOGB-UHFFFAOYSA-N 435.336 5.500 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OC)cc3OCC3CC3)n2)cc1 472519288 LQXHDPXTOWATFC-HXUWFJFHSA-N 434.517 5.106 30 20 IKED CSc1cccc(C)c1NC(=O)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 473405591 HGQAOZUPONTGSI-QGZVFWFLSA-N 429.545 5.072 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 475552695 CXBFKCCOEYJLJV-NHCUHLMSSA-N 435.612 5.469 30 20 IKED C=CCN(C(=O)Cc1ccc(C(C)=O)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 476150120 JGPOHANVIVQDDZ-UHFFFAOYSA-N 445.371 6.081 30 20 IKED C=CCn1c(SCC(=O)N2CC[C@H](C)Sc3ccccc32)nnc1-c1cccs1 481367158 CSGKRDZVIVOJOR-HNNXBMFYSA-N 442.635 5.202 30 20 IKED C=C(C)Cn1c(SCC(=O)N2CC[C@H](C)C[C@H]2c2ccc(C)o2)nnc1-c1ccco1 482495619 JVTBBSXRMVTVSF-WMZOPIPTSA-N 440.569 5.108 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)cc1 483478129 CDTXAJYODOGMPR-GHTZIAJQSA-N 445.485 5.822 30 20 IKED CCCN1CCC(N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 483657005 HMUCGDNZRIZMCW-UHFFFAOYSA-N 440.975 5.129 30 20 IKED C[C@@H](C(=O)N(CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1)c1cccc(C#N)c1 485802863 CKDDYEDDHUYZRL-QGZVFWFLSA-N 449.913 5.122 30 20 IKED CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n[nH]1 486231478 MVTCPMNBTKJYPV-QMTMVMCOSA-N 436.947 5.510 30 20 IKED COc1ccc2ccccc2c1-c1cc(CNC(=O)N[C@H](CCC#N)c2ccccc2)on1 487934842 LMJFANAWMNGRNU-JOCHJYFZSA-N 440.503 5.348 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(O)c3c(C)c(C)sc3n2)nnc1-c1ccccc1C 488874351 BZOPGOMUQZHVLG-HNNXBMFYSA-N 437.594 5.620 30 20 IKED Cc1cccc([C@H](NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C(C)(C)C)c1 488886562 XJNINIJJSWKNGZ-QFIPXVFZSA-N 446.551 5.235 30 20 IKED C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1nc(C(F)(F)F)cs1 490064625 IECPMHRTLFMXSQ-NSHDSACASA-N 442.532 5.043 30 20 IKED Cc1c(C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)sc2ccc(C#N)cc12 498958492 VNDUVCRUHOFLPF-GOSISDBHSA-N 430.451 5.314 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1C[C@H]1c1cc2c(cc1OCC)C[C@@H](C)O2 499706831 MPIPHANSTNHKPT-DKSSEZFCSA-N 431.985 5.442 30 20 IKED COc1cc(Br)ccc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 501359326 HYBRORTTXNQQCN-LBPRGKRZSA-N 449.276 5.349 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCCC[C@@H]3Cc3ccccc3)c2)c1 503282698 KLHZMGZJZVBIKN-RUZDIDTESA-N 438.531 5.440 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)cc1 505647302 TZWVRXMKIKCQRR-UHFFFAOYSA-N 434.879 5.614 30 20 IKED CCOC(=O)c1c(NC(=O)N2CCC(C)(C#N)CC2)sc(C)c1-c1ccc(C)cc1 506712615 CIPMKLGHXDOMNB-UHFFFAOYSA-N 425.554 5.366 30 20 IKED CO[C@@H](CSCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1 509132166 OGDBMWKLBPRQJA-BEFAXECRSA-N 435.014 5.794 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1Cl 510022703 GGCVRGVTJFAXJO-ISKFKSNPSA-N 444.966 5.391 30 20 IKED C[C@H](Sc1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C(N)=O 510466198 VJIRRSAOPKAJMY-MGPUTAFESA-N 449.963 5.214 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 512544780 JNVJJKTWWIDMME-QHCPKHFHSA-N 444.487 5.169 30 20 IKED COc1cc(OC)cc(C2(F)CCN(C(=O)c3sc4ccc(C#N)cc4c3C)CC2)c1 513443740 OZGKEIYDMWTDFL-UHFFFAOYSA-N 438.524 5.200 30 20 IKED CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 516431137 LKHBMJGYXDGTNR-QHCPKHFHSA-N 445.950 5.025 30 20 IKED CCN(Cc1ccccc1C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 517113035 INAWASVLSIBOIO-UHFFFAOYSA-N 447.922 5.300 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 517528183 TXQINOLVUNXVKG-QVKFZJNVSA-N 442.009 6.707 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3s2)nnn1-c1ccc(-c2ccccc2)cc1 521304492 ACKIDKQASRPCRL-FQEVSTJZSA-N 435.512 5.343 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCCCc3c[nH]c4ccccc34)c2)cc1 521700094 RNDOKZKVPKIWJU-UHFFFAOYSA-N 438.531 5.567 30 20 IKED Cc1c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cnn1-c1ccc(Cl)cc1 522033506 ATPWORLLNNQVBE-UHFFFAOYSA-N 429.867 5.145 30 20 IKED N#C[C@H](NC(=O)C1(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(OC(F)(F)F)cc1 525837902 IYBKSBNOQOKMMI-INIZCTEOSA-N 428.332 5.017 30 20 IKED CC(C)N(CCC#N)C(=O)C(=O)Nc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1 525862923 CTPKGVDKTOAOKH-UHFFFAOYSA-N 438.286 5.014 30 20 IKED C=CCN(C(=O)c1ccc(NC(=O)c2cccs2)c(C)c1)c1nc2c(s1)CCCC2 534657909 SMLJLEVAOLQBBY-UHFFFAOYSA-N 437.590 5.477 30 20 IKED Cc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1NC(=O)c1cccs1 534679232 NMLVOMQHABCBEL-MRXNPFEDSA-N 435.574 5.955 30 20 IKED CCN(C(=O)c1ccc(SCc2csc(C)n2)cc1)c1ccc(C#N)c(Cl)c1 538072572 IYLOFUOSQAGRDP-UHFFFAOYSA-N 427.982 5.936 30 20 IKED C=CCCC[C@H](C)NC(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1 538347690 QVFDNGUDTVFYHM-WMLDXEAASA-N 431.968 5.219 30 20 IKED COc1cc([C@@H](C)N[C@@H](C)C(=O)N(CCC#N)c2ccccc2)ccc1OC1CCCC1 539256854 JCBABQAMBPGTAS-UXHICEINSA-N 435.568 5.003 30 20 IKED CCN(CC)C(=O)Nc1ccc([C@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 542996163 VZYVYIPWSSWXOY-RTWAWAEBSA-N 440.591 6.511 30 20 IKED CCN(CC)C(=O)CCC1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 542998170 LPYUIRWOJMHJQX-UHFFFAOYSA-N 447.579 5.046 30 20 IKED CCS(=O)(=O)Nc1ccc([C@@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 543034449 LEWIYOWPPKAVGA-RTBURBONSA-N 433.577 5.399 30 20 IKED N#Cc1ccc(Oc2ccc(-c3nc(-c4cccc(NC(=O)C5CCC5)c4)no3)cc2)nc1 546274327 FZQNUKGIQPPGAK-UHFFFAOYSA-N 437.459 5.201 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)[C@H](C#N)c3ccncn3)cc12 546860664 ZYKCMOVSDSRNEA-OAHLLOKOSA-N 442.331 5.041 30 20 IKED Cc1cc(C#N)ccc1C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 547988617 DCKDSJQPRSHAHF-UHFFFAOYSA-N 432.320 5.001 30 20 IKED N#Cc1cccc(-c2nnc(N3CC[C@@H](c4ccc(Cl)cc4)C3)n2C[C@H]2CCCCO2)c1 549672076 MYBGAWLYWMLFIN-FYYLOGMGSA-N 447.970 5.033 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](C)Sc1ccnc2cc(Cl)ccc12 557588988 SIRROFDNNMOERA-OAHLLOKOSA-N 430.957 5.059 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1)[C@H]1C[C@H]1C 561654460 MUZLTZFIFJFVJP-NSYGIPOTSA-N 425.488 5.364 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1ccc(O)c(COC(C)C)c1 564364170 QQXBDNLQNPVSTO-UHFFFAOYSA-N 431.492 5.934 30 20 IKED N#CCc1ccccc1NC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 566938454 ZSCVZCOVBFCLLZ-UHFFFAOYSA-N 434.293 5.020 30 20 IKED C=CCn1c(-c2ccc3ccccc3c2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 578820999 XCMYRRVNRTYSEP-WTPASJBYSA-N 430.577 5.219 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)c1 580480293 STRIQRXFSWJELJ-QHCPKHFHSA-N 442.519 5.155 30 20 IKED Cc1ccc(C2(c3noc(-c4ccc(Oc5ccc(C#N)cn5)cc4)n3)CCOCC2)cc1 584020778 RMLRJFPWHZJFTI-UHFFFAOYSA-N 438.487 5.201 30 20 IKED COc1ccc(CNC(C)(C)c2ccc(Br)c(C)c2)cc1OCCCC#N 589328729 WDLQPPRSXMLSKO-UHFFFAOYSA-N 431.374 5.474 30 20 IKED Cc1ccccc1[C@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)NC(N)=O 603758926 PBONTFFUJOKMET-GMAHTHKFSA-N 446.938 5.042 30 20 IKED C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)c1ccc(COc2ccccc2C#N)o1 603899613 LIBVSESBWQPMPG-HXUWFJFHSA-N 443.547 5.035 30 20 IKED CCN(C(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1)[C@@H](C)c1ccc(C#N)cc1 604343307 DIVQXXARSAUJRL-IBGZPJMESA-N 436.515 5.807 30 20 IKED CC(C)(C)Cc1nc(-c2ccc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)cc2)no1 608552996 GYZGZPYWFOBXQQ-MRXNPFEDSA-N 434.496 5.564 30 20 IKED Cn1c(-c2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2)nc2ccccc21 608954718 YADVBVGFGXKKRQ-UHFFFAOYSA-N 448.482 5.536 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc4c(OC(F)F)cccc4[nH]3)cc2)c1 609073572 MURYBTCNWMFTOS-UHFFFAOYSA-N 433.414 5.472 30 20 IKED C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)CSc1ccc(C#N)cc1 609192336 RTAGJTVOIJWKEB-CWTRNNRKSA-N 433.396 5.012 30 20 IKED Cn1ccnc1COc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1 609297904 SYDDHCBYRZSJDX-UHFFFAOYSA-N 442.450 5.054 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)s2)cc1 609343621 NXMMNAUWHCRGKC-VGOFRKELSA-N 430.577 5.145 30 20 IKED Cc1cc(Cl)cc2nc(SCC(=O)Nc3ccccc3S[C@H](C)CC#N)oc12 609750948 QSEXHKKGOMRMLB-CYBMUJFWSA-N 431.970 5.915 30 20 IKED Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)Nc3sccc3C#N)c12 609965638 COXTWLFOPLEXNI-UHFFFAOYSA-N 428.395 5.403 30 20 IKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2cccc(CSC3CCCC3)c2)cc1 610122852 QBWZZNFQWWSORB-UHFFFAOYSA-N 442.606 5.192 30 20 IKED N#Cc1ccc(CN2CCCN(C(=O)Nc3cccc(CSC4CCCC4)c3)CC2)cc1 610143755 LRDLPHCTXNSFSV-UHFFFAOYSA-N 448.636 5.474 30 20 IKED C[C@H](NC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1)c1cccc(C#N)c1 610317956 KZFJHXSVPOWQPR-ZDUSSCGKSA-N 441.354 5.251 30 20 IKED CN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 612561991 RZAZYWQUFAKBSJ-GGAORHGYSA-N 446.482 5.269 30 20 IKED N#C[C@@H](C(=O)c1ccc(OCC(F)(F)F)nc1)c1nc2cc(C(F)(F)F)ccc2s1 613403827 GLSPSVVTFKWRBT-NSHDSACASA-N 445.344 5.141 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC[C@@H]1c1cccc(F)c1 615683143 NLKYCWBJQPFFJU-BFJAYTPKSA-N 426.376 5.582 30 20 IKED CC(C)(C)c1ccc(Cl)cc1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 619804216 CEACVRWQMVHFDK-UHFFFAOYSA-N 438.959 5.392 30 20 IKED Oc1nc(CNc2ccc(F)cc2OCCC(F)(F)F)nc2cc(C(F)(F)F)ccc12 669661614 GKOLBJZSVGVRET-UHFFFAOYSA-N 449.326 5.437 30 20 IKED C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 670203596 CZFOMZDLPRKVBK-IBGZPJMESA-N 431.515 5.109 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)NC1(c2ccc(F)cc2F)CCC1 677825065 HCBAZGLCZOLMQC-GHMZBOCLSA-N 444.366 5.553 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 682777228 IOKYQKULVRXQQT-HUUCEWRRSA-N 436.440 6.570 30 20 IKED O=C(N[C@@H]1CC[C@H](c2cccc(F)c2)C1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 684363152 MNOAOMYBMSKUFL-AZGDMVHKSA-N 440.403 5.671 30 20 IKED CS(=O)(=O)c1ccc(Oc2ccc(N=Cc3cc(Cl)cc(Cl)c3O)cc2)cc1 726427235 HHQLEJUMMMHSSB-UHFFFAOYSA-N 436.316 5.645 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)c1 726503287 LFBSPOAYMIPENQ-UHFFFAOYSA-N 438.487 5.182 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](NC(=O)CC(C)C)c3ccccc3)n2)cc1 727627715 PNTVGHDAIYGRKE-NFBKMPQASA-N 431.561 5.198 30 20 IKED N#C[C@@H](C(=O)[C@H]1CCOc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 728411267 FTVHMKMGQGJHNM-HOCLYGCPSA-N 429.328 5.859 30 20 IKED N#C[C@@H](C(=O)CCc1cc(Br)cs1)C(=O)Nc1cc(Cl)cc(Cl)c1 730688171 SNSFEFUDMLKJDS-AWEZNQCLSA-N 446.153 5.098 30 20 IKED CCOC(=O)Nc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 730995064 ONTJLENQSUMUHB-UHFFFAOYSA-N 437.443 5.532 30 20 IKED CCc1nc([C@@H]2NC(=O)N(Cc3ccccc3)C(c3ccc(C)cc3)=C2C(C)=O)cs1 731419878 BXIXOTQBXWSHJP-QHCPKHFHSA-N 431.561 5.281 30 20 IKED CCc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nnn1-c1cccc(Cl)c1 731453957 KDFDVPQEFGHFRV-QFIPXVFZSA-N 441.922 5.391 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 731831388 FNINQLXKXFVPEH-RUZDIDTESA-N 430.935 5.464 30 20 IKED C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(OCc2ccccc2C#N)cc1 732017937 AVVCWFYOVJZTLV-KYTVRQNUSA-N 426.516 5.128 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 732494647 JQRSZKBMYNHWAU-QHCPKHFHSA-N 438.487 5.049 30 20 IKED CC[C@H](C#N)Oc1cccc(CNc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])c1 733793182 LWNGIOQVFNSZSE-OAQYLSRUSA-N 444.491 5.449 30 20 IKED COc1cc(COC(=O)CCc2c[nH]c3ccccc23)ccc1OCc1cccc(C#N)c1 735124903 LCHKADOKMZRWCE-UHFFFAOYSA-N 440.499 5.303 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@@]2(Cc3ccc(Cl)cc3)C[C@H]3CC[C@H]2C3)n1 735768063 QDRXRWKMLKEYDZ-PWDLFRTRSA-N 442.968 5.199 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2CSc2nc[nH]n2)cc1 737794215 OBOCGYRVOSYVJO-QFIPXVFZSA-N 425.517 5.005 30 20 IKED COc1cc(Br)cc(CNCc2cccc(-c3ccc(C#N)s3)c2)c1O 740010744 GKQRFLFSYCOACB-UHFFFAOYSA-N 429.339 5.053 30 20 IKED COc1ccc(/C=C\C(=O)c2c(F)cccc2N2CCOCC2)cc1OCc1ccccc1 741447104 HVJHREHQDWQLTF-BENRWUELSA-N 447.506 5.146 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=S)N[C@@H]2CCOc3ccccc32)cc1 741483611 GGYMNUVGSFKNGR-HXUWFJFHSA-N 431.517 5.169 30 20 IKED CC(=NNc1ncnc2scc(-c3ccc(F)cc3)c12)c1c(Cl)nc2sccn12 741838800 VUZYGAXUHYDJFU-UHFFFAOYSA-N 442.932 5.696 30 20 IKED CC(C)(C)c1ncc(/C=C\C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)s1 744036000 WCEQNCWSCQHHJW-HLRDLLSLSA-N 427.982 6.107 30 20 IKED C[C@@]12CC[C@H]3[C@H](CC=C4C[C@H](OC(=O)c5ccccc5OCC#N)CC[C@@]43C)[C@@H]1CCC2=O 744334634 UUVCSJKTZFOVHR-DBWDIMDXSA-N 447.575 5.646 30 20 IKED C[C@H](ON=Cc1ccccc1Br)c1nc(-c2cccc(C(F)(F)F)c2)no1 744444611 XSQSFEQMUPSLHI-NSHDSACASA-N 440.219 5.630 30 20 IKED CCOc1cc(/C=C/C(=O)c2cc(Cl)sc2Cl)ccc1O[C@H](C)C(=O)N(C)C 744865832 NCIZVHPWNTWSOY-WAFBPQNNSA-N 442.364 5.205 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 746204185 ITKUFQXCGYAGDA-KDURUIRLSA-N 438.547 5.001 30 20 IKED CCCCCC(=O)NC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 748443604 OVWRZGBJHJVZCL-XMMPIXPASA-N 432.568 5.035 30 20 IKED COc1cc(/C=C2\SC(=Nc3c(C)cccc3C)NC2=O)ccc1OCC(F)(F)F 750896025 LQNYAGFRKYWDEK-YVLHZVERSA-N 436.455 5.145 30 20 IKED CC(=Nn1cnnc1SCc1ccc(Cl)cc1)c1cc(Cl)c(N)c(Cl)c1 754714358 SINUJSATFXNAON-UHFFFAOYSA-N 426.760 5.385 30 20 IKED COc1ccc(/C=C(\C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1F 755612236 NGLGJRAWHRVCPB-VEMDQMBVSA-N 426.900 5.891 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)cc1C#N 756472865 ZTXVFFGWBCUOIW-CQSZACIVSA-N 429.546 5.240 30 20 IKED O=C1/C(=C\c2nc(Cl)cs2)CC(O)(C(F)(F)F)C/C1=C\c1nc(Cl)cs1 759083037 GXWWVNFJTCMIQC-JOTJMYPPSA-N 441.283 5.030 30 20 IKED Cc1c(NCc2cn(CCC#N)nc2-c2ccccc2)cnc(Cl)c1Br 759102228 DASCQXMXLUMMSF-UHFFFAOYSA-N 430.737 5.195 30 20 IKED COc1ccc(COCCCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 760971280 GXGJJZQEHZYSHD-KRWDZBQOSA-N 442.487 5.270 30 20 IKED Cc1cc(C(=O)Nc2ccc(F)cc2OCC#N)c(C)n1-c1cccc(Br)c1 760977570 JPAKKSHYXKBPJT-UHFFFAOYSA-N 442.288 5.150 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Sc1nc2ccccc2s1 762477888 XWSVORCIJHHSFU-HNNXBMFYSA-N 446.557 5.783 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cc(Cl)c(Cl)cc2O)cs1 766035019 WVUBSWYKYRZRIQ-YVMONPNESA-N 447.343 6.045 30 20 IKED N#C[C@@H](C(=O)CCc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1Cl 766840832 JPXBHFFFNSYENF-AWEZNQCLSA-N 429.225 5.292 30 20 IKED Cc1cc(CSc2ccccc2C(=O)N[C@H](C#N)c2cccc(Br)c2)on1 768187060 ZSEUMMKPFASCNP-GOSISDBHSA-N 442.338 5.033 30 20 IKED O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(N2CCOC2=O)c1 771856586 ACFSSLCXGUFQMR-SNAWJCMRSA-N 429.316 5.577 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(Br)cc1C(F)(F)F 776305709 HUTBPFUZHOXRLB-UHFFFAOYSA-N 427.220 5.379 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(CC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1 777296755 LPDZUISGWCIHOG-MRXNPFEDSA-N 441.940 5.716 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C=NN[C@@H]1CCOC(C)(C)C1 780252468 JEZQZDVWFANOGS-OAHLLOKOSA-N 429.779 5.081 30 20 IKED Cc1ccc2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)c2c1 780305356 IYCUEXOSCSPEEI-FQEVSTJZSA-N 439.902 5.825 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)c3ccccc3n2)cc1 780306185 RLAWCKLSPMXITN-HXUWFJFHSA-N 439.902 5.825 30 20 IKED C#CCCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccsc1 790742995 SVSNYSHGJGCXRN-FQEVSTJZSA-N 439.606 5.129 30 20 IKED CC(C)N1C(=O)C[C@H](C(=O)[C@H](C#N)c2nccc3ccccc23)[C@@H]1c1ccc(Cl)c(F)c1 792107459 VVVIWWZDSBUTCN-GLDPYIMESA-N 449.913 5.202 30 20 IKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1 800372570 VVACEHZYXVUESC-LJQANCHMSA-N 449.510 5.195 30 20 IKED Cc1nn(C)c2sc(C(=O)/C=C\c3cn(Cc4ccccc4)nc3-c3cccnc3)cc12 806578174 BCOKIZMLIMRUBE-KHPPLWFESA-N 439.544 5.146 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 808816197 NHTAQKYKIZUTEE-HSZRJFAPSA-N 439.475 5.096 30 20 IKED C=C[C@H](CC(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccccc1 814235600 RYWZQBCJMLEMIJ-HSZRJFAPSA-N 425.572 5.521 30 20 IKED CSc1nc(C2CC2)cc(-c2nc(-c3cccc(Cn4nc(C)cc4C)c3)no2)c1C#N 904525951 MTXDAUGWNMLGBQ-UHFFFAOYSA-N 442.548 5.131 30 20 IKED CN(Cc1cccc(C#N)c1)Cn1nc(Nc2ccc(SC(F)F)cc2)sc1=S 914783415 PNUSPLZCIXMSHA-UHFFFAOYSA-N 449.577 5.694 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(-c2ccco2)nc2ccccc12 915055270 DPIYJATXFMMPJK-UHFFFAOYSA-N 446.466 6.115 30 20 IKED Cc1c(Cl)cccc1N=C1SCCN1C(=O)c1ccc(CN2CCCCC2=O)cc1 915134605 UBSBPSIXAZGZBG-UHFFFAOYSA-N 441.984 5.038 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccco2)cc1 916211974 INXYOZROABKHAD-NRFANRHFSA-N 433.533 5.057 30 20 IKED CCCCn1nc(C)c(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1Cl 916283527 FUEXAXGCDXPBCM-UHFFFAOYSA-N 439.972 5.274 30 20 IKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCCC(C)C 916883882 WEMVBHZSOGFVIF-QGZVFWFLSA-N 449.334 5.388 30 20 IKED C/C=C/c1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(OC)c1 916977323 PYORZVMFSVNVLT-WHLIDYPQSA-N 438.936 5.760 30 20 IKED COc1ccccc1/C=C(/C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccccc1 917045863 BPSMEBVXAAANFN-ACSPXDACSA-N 444.943 6.375 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@H]2CCc2ccccc2)c1=S 917478843 TUKMMCNSDBPQQA-OAQYLSRUSA-N 434.609 5.330 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cs1 917561568 HMRHCYJNJMTNOV-POHAHGRESA-N 441.896 5.594 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2C)cc1OC 917720816 NWFVMRYYADNCBF-RVDMUPIBSA-N 448.563 5.283 30 20 IKED N#C[C@H](COC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)Cc1ccc(F)cc1 920876888 RIRIKSWQBYIZNJ-NLFFAJNJSA-N 427.479 5.059 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C4CC4)cc3)cc2)CCC1 1790784535 ZZNKSNGMNMPZRY-SFHVURJKSA-N 433.552 5.113 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3ccc4ccoc4c3)CCC2)cc1)C(F)(F)F 1791304874 QZNHUUMANSOWII-UHFFFAOYSA-N 428.410 5.299 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@H]4c4ccccc4)cc3)CCC2)cc1 1791535065 XLQJVELZEQNOJC-UIOOFZCWSA-N 449.554 5.304 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2ccc(C)cc2)[C@H]1c1cccnc1 1810501192 AFNVQEQZGJIJIK-RSXGOPAZSA-N 447.623 5.021 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)cc(C)c2)[C@@H]1c1cccnc1 1811881942 UHTAKYAYGVDCMM-VWNXMTODSA-N 433.596 5.010 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4occ(Cl)c4c3)n[nH]2)C1 1820228910 DMFYMXIZQQHWHO-LJQANCHMSA-N 438.915 5.081 30 20 IKED Cc1c(Cl)cccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 1823916533 SWNNVQRDRSXHMK-XMMPIXPASA-N 449.982 5.067 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CSc2ccccc2)CC1 1826515328 BONSMMKQLDSACS-HSZRJFAPSA-N 442.669 5.391 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cnccc3c2)CC1 1828201180 IEWFFUIKEGOMKW-AREMUKBSSA-N 445.607 5.237 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cc3ccccc3o2)CC1 1831370788 PCIBCNNRQTYEKQ-LPYADNKSSA-N 434.580 5.278 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3CCCCC3)CC2)c1 1832635185 WKOSTZCQXGDDIV-NLFFAJNJSA-N 435.612 5.127 30 20 IKED COc1ccc(-n2c(SCc3cccc(C#N)c3)nnc2-c2ccccc2OC)cc1 4184045 HTDVPRGASRBTCZ-UHFFFAOYSA-N 428.517 5.115 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2oc3ccccc3c2COC(C)C)c1 10915305 HNBSXPUKISZOCQ-UHFFFAOYSA-N 448.519 5.078 30 20 IKED C=CCn1c(S[C@H](C)C(=O)NCc2ccccc2Cl)nnc1-c1ccc(Cl)cc1 16862769 BSUMDULILLVVTK-CQSZACIVSA-N 447.391 5.235 30 20 IKED C[C@@H](OC(=O)c1cc2c3ccccc3n(C)c2s1)C(=O)N(CCC#N)c1ccc(F)cc1 21931793 AWCPWNZTYDCFCP-OAHLLOKOSA-N 449.507 5.024 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc3c(c2)CCCC3)s1 22730414 XUXSYXBNJJWQDS-UHFFFAOYSA-O 442.029 5.927 30 20 IKED C=CCNC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 29811310 ASNZYDNVXSLMRZ-LBPRGKRZSA-N 440.853 5.105 30 20 IKED C=CCn1c(C)nnc1SCc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1 35767113 DSIZQXCLWLRPIT-UHFFFAOYSA-N 427.599 5.131 30 20 IKED CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)[C@@H](C)Oc2ccc(C#N)cc2)c1 105518469 XXPJHWHCRWGILY-VQTJNVASSA-N 441.531 5.074 30 20 IKED CCCCN(C)c1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 109385982 RCAIINMCKUMINQ-UHFFFAOYSA-N 437.594 5.191 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCCOc2cccc3ccccc23)cc1 302973393 SQPLLQHDXDFZLM-UHFFFAOYSA-N 426.438 5.462 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN(Cc1ccco1)Cc1cccs1 303299617 CMMRNLFDQHMOHN-KRWDZBQOSA-N 425.579 5.234 30 20 IKED N#CC1(CCCN(Cc2ccc(-c3ccccc3C(F)(F)F)o2)C2CC2)CCOCC1 410342291 GPQXDXDGPMFESE-UHFFFAOYSA-N 432.486 6.030 30 20 IKED Cc1c(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)sc2ccc(C#N)cc12 428171846 PVKJBOZKXHIULP-UHFFFAOYSA-N 447.541 5.135 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(c4ncc5n4CCCC5)CC3)cc2)c1 432869020 YNRZKTBKXMZUIW-UHFFFAOYSA-N 441.535 5.295 30 20 IKED COc1cc([C@@H](C)NC(=O)C2(c3ccc(C#N)cc3)CC2)ccc1OCc1ccccc1 436059597 BMRHKJJUZWJVKV-LJQANCHMSA-N 426.516 5.055 30 20 IKED Cc1c(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)sc2nc(C(F)(F)F)ccc12 436328894 AKCXUYDURUWUMZ-IAGOWNOFSA-N 429.467 5.536 30 20 IKED CCOc1ccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C)c1 437259910 ZIOMYZXHHZNSQG-OAQYLSRUSA-N 447.922 5.280 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1)c1ccc(C#N)cc1 438813379 XHARYJIONWLBIF-ROUUACIJSA-N 429.545 5.227 30 20 IKED CCCc1c(NC(=O)N[C@H]2CCCO[C@@H]2c2ccc(C)cc2)cnn1-c1cccc(C#N)c1 439677750 KAPKPWIFNDVOFE-WIOPSUGQSA-N 443.551 5.047 30 20 IKED CCn1ncc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1C(F)(F)F 439885476 YZBVPBIKSIEHAZ-UHFFFAOYSA-N 445.420 5.167 30 20 IKED N#CCCCOc1cccc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1 440687782 AOPZSRKHZQBYBI-UHFFFAOYSA-N 433.489 5.681 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(-c2nc(CC(=O)N(C)C3CCCCC3)no2)cc1 445552927 WEZGJIRDSPNSFA-UHFFFAOYSA-N 430.508 5.043 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CSc2ccc(Br)cc2[N+](=O)[O-])c1C 447360290 UDIIOSNQUGVKAS-UHFFFAOYSA-N 448.342 5.013 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(c3c(C#N)nnc4ccccc34)C2)n1 447673048 WHRSIJBHKGOGBG-INIZCTEOSA-N 427.533 5.018 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 448352157 CFUPUTHRYSLZJQ-INIZCTEOSA-N 446.041 6.523 30 20 IKED C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 460815116 OHBURFGTWUJXBU-BEFAXECRSA-N 439.387 5.227 30 20 IKED CCCNc1ccc(C#N)cc1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 461685834 LWOOSRWKWBHHRZ-UHFFFAOYSA-N 440.956 5.250 30 20 IKED FC(F)(F)CSc1ccc(C(F)(F)F)cc1NCc1nccn1CC(F)(F)F 462239136 DPTZKKLUMYAFJT-UHFFFAOYSA-N 437.331 5.731 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(=Cc3ccccc3F)CC2)cc1 465159098 VCOHZYHWKGUZKN-UHFFFAOYSA-N 433.527 5.351 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Sc2ccccc2Cl)nn1 469340526 YIOOHFAMFPXACS-CQSZACIVSA-N 440.981 5.928 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@H]3C[C@@H]3c3cccc(C(F)(F)F)c3)ccc21 469950520 NGMUZPGUFHNATH-WOJBJXKFSA-N 441.453 5.031 30 20 IKED COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 470378985 HWQQXNNTGVEOBE-HNNXBMFYSA-N 440.883 5.050 30 20 IKED Cc1ccc([C@H]2CCN(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)C2)c(C)c1 471187864 NWZSTJTXRHLPKA-IBGZPJMESA-N 449.605 5.340 30 20 IKED Cc1c(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cccc1NC(=O)N(C)C 471345455 KHFLTEORTZOMAJ-UHFFFAOYSA-N 448.910 5.658 30 20 IKED CN(Cc1nc(C(F)(F)F)cs1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 472741788 XIYMLTVPBSWSDV-UHFFFAOYSA-N 432.427 5.490 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 476750987 YBWGLPOXDSGDJM-UHFFFAOYSA-N 437.902 5.051 30 20 IKED C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 479269997 CXJBDYPDDRABHF-MRXNPFEDSA-N 448.419 5.149 30 20 IKED Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)o1 480313726 JEMRSDTXODKQOP-UQBPGWFLSA-N 443.547 6.238 30 20 IKED CCOC(=O)c1sc2ccsc2c1CNC(=O)Nc1ccc(C(C)(C)C#N)cc1 480481174 IPBQSJLTWBIFRD-UHFFFAOYSA-N 427.551 5.262 30 20 IKED C=C(C)[C@@H](NC(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1)c1ccc(F)c(F)c1 481002944 JOHHURVPVSZGDV-QGZVFWFLSA-N 437.372 5.003 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 481426885 PACGKZBHVCDVFM-UHFFFAOYSA-N 446.477 5.279 30 20 IKED CN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 482996304 FCFHHDRCOCVSPO-HSZRJFAPSA-N 432.886 5.622 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1cnc2ccccc2n1 483241139 IOSJIJVIFAJSPP-LJQANCHMSA-N 434.886 5.988 30 20 IKED COc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1ccccc1SC[C@@H](C)C#N 483468679 FFVDILMLAPTXNR-ZDUSSCGKSA-N 441.940 5.816 30 20 IKED COc1cccc([C@H]2CN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CCO2)c1 484819831 HXRSLIVHGDFPKS-XMMPIXPASA-N 444.556 5.073 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(c2c(F)cccc2F)CC1 485889474 OTCGXFLFXAQHPK-MRXNPFEDSA-N 429.536 5.177 30 20 IKED CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1occc1COc1cccc(C#N)c1 487880189 XYTGSVHNPMLCBE-UHFFFAOYSA-N 437.499 5.455 30 20 IKED N#C[C@@H](C(=O)c1cnc2c(F)ccc(F)c2c1)c1nc(-c2c(F)cccc2F)cs1 497440750 HSASBXYZRSEGPA-LBPRGKRZSA-N 427.382 5.405 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(-c2ncco2)cc1)c1ccc(C(F)(F)F)cc1 500583612 NZUBEBMSZGHJHR-LJQANCHMSA-N 443.425 5.123 30 20 IKED C=CCN(C(=O)c1ccc(OC)c(OC)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502934944 PFBWSMPFYMBYEU-UHFFFAOYSA-N 449.359 5.967 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)c12 505313804 VWTXPKRBDAEISC-CQSZACIVSA-N 428.473 5.535 30 20 IKED C=CCc1ccc(OCC(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)c(OC)c1 507892947 LEJAEXBYFHNFBN-UHFFFAOYSA-N 442.968 5.204 30 20 IKED CC(C)N(Cc1ccc(F)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 509226862 RAURHFFQORIEBP-UHFFFAOYSA-N 431.511 5.913 30 20 IKED CCC1(C(=O)Nc2sc3c(c2C#N)CCCCCC3)CCN(C(=O)c2ccccc2)CC1 510326679 XXKRRKJLRSLFDE-UHFFFAOYSA-N 449.620 5.550 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC1CCN(c2ccccc2)CC1 510668597 RMGBNMGSXQTHGA-UHFFFAOYSA-N 426.520 5.450 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 511450353 HYVCFQYBHSUFJE-PXDATVDWSA-N 444.579 5.298 30 20 IKED N#Cc1c(F)cccc1-n1ccc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)n1 512118912 RCHFMBMHUUGTFW-UHFFFAOYSA-N 429.436 5.005 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 513118171 INAFGMQRRCYPKL-UHFFFAOYSA-N 436.515 5.033 30 20 IKED CC[C@@H]1C[C@@H](CC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)CCO1 513674232 DKZCXWBRPSSCQZ-XJKSGUPXSA-N 437.487 5.158 30 20 IKED Cc1ccc(-c2csc3nc(SCCCCC#N)n(C[C@@H]4CCCO4)c(=O)c23)cc1 514298347 HZGCWTNYVMUCSE-SFHVURJKSA-N 439.606 5.398 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2F)C(C)C)nnc1-c1ccc(OC)cc1 514773756 KBRCLUBJEYBJHN-HXUWFJFHSA-N 440.544 5.034 30 20 IKED N#C[C@@H](C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1nc(-c2ccncc2)cs1 516768067 QSDVAZAPUBRLPN-SFHVURJKSA-N 441.472 5.347 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 517518041 OYORADPDMKSKMR-HZPDHXFCSA-N 448.514 5.350 30 20 IKED C[C@@H](Nc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1[N+](=O)[O-])c1ccccn1 517795700 LCKXZEPUWAXVLC-GDBMZVCRSA-N 443.488 5.263 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)s2)c(C)c1 520164700 DHAFWROIUCQCDC-INIZCTEOSA-N 436.487 5.970 30 20 IKED COc1cc([C@@H](C)Nc2nc(C(F)(F)F)ccc2C#N)ccc1OCc1ccncc1 522417759 NZIWTFYIDHQWDA-CQSZACIVSA-N 428.414 5.128 30 20 IKED COc1ccccc1[C@H]1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1 523125565 BZLQLTCCMHFVRJ-SFHVURJKSA-N 432.907 5.642 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC(C)(C)N1CCC[C@@H](C)C1 524440480 PLOJDEWDFNGKTK-LJQANCHMSA-N 434.584 5.078 30 20 IKED COc1ccccc1[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccccn1 536338311 HUUPOAWGAXIHCO-NDEPHWFRSA-N 435.527 5.420 30 20 IKED CNC(=O)c1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c(Cl)c1 536496274 HHUYQGGJRCVBKP-UHFFFAOYSA-N 440.286 5.269 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 536817834 SGNOEYAQSMXMSK-RXVVDRJESA-N 439.437 5.088 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1ccc(F)cc1F)C(C)(C)C 537124943 OJCNCVQWGCALKA-QRQCRPRQSA-N 431.552 5.675 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1 541496938 CFTFOTXGPCEJPD-YWZLYKJASA-N 447.457 5.217 30 20 IKED CC(C)[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nnc2ccccn12 542023704 YMEGMLZURQDWIB-MHECFPHRSA-N 438.535 5.025 30 20 IKED O=C(Nc1ccc(O)cc1F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 542098870 RVVXLAUNSAXGOD-OWUVQDENSA-N 439.371 5.592 30 20 IKED N#Cc1cc(C(=O)Nc2ccc(Br)cc2-c2nc(C3CC3)no2)ccc1Cl 543486734 ZPLIWYVCHRNYDN-UHFFFAOYSA-N 443.688 5.154 30 20 IKED C[C@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 543561908 GJKZVAHPHWAIBC-DFBJGRDBSA-N 426.520 5.342 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 543564220 PIMGJBYXXVQEBH-SQJMNOBHSA-N 445.494 5.840 30 20 IKED CN(C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 543606408 DIDZCNIDJJJBCI-DHLKQENFSA-N 445.494 5.874 30 20 IKED CCN(C(=O)c1nc(-c2cccc(C(F)(F)F)c2)oc1C)[C@H](C)c1ccc(C#N)cc1 543863642 QLKPKOBDRQNCLU-CQSZACIVSA-N 427.426 5.764 30 20 IKED CN(C)C(=O)c1ccc(-c2noc(-c3cccc(Oc4cccc(Cl)c4C#N)c3)n2)cc1 545040897 MTTPAPYCWHSVCE-UHFFFAOYSA-N 444.878 5.423 30 20 IKED CN(Cc1noc(-c2ccc(Oc3ccccc3C#N)c(Cl)c2)n1)C(=O)c1ccccc1 547151755 WMOKJMSELGDPFH-UHFFFAOYSA-N 444.878 5.326 30 20 IKED CCOc1cccc([C@@H](C)NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1 552895293 IOHOEKQRRCDIRP-QGZVFWFLSA-N 425.960 5.094 30 20 IKED N#C[C@H](NC(=O)COc1ccc(OCc2ccccc2)cc1)c1cccc(C(F)(F)F)c1 561596273 MHWDQCLNMHGBBQ-QFIPXVFZSA-N 440.421 5.044 30 20 IKED O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 569168281 OOBMEFNYSQGDLO-UHFFFAOYSA-N 444.282 5.023 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H](CO)c2ccccc2Cl)cc1 574667659 NOAJPOHRERFBJC-IBGZPJMESA-N 436.964 5.010 30 20 IKED N#C[C@H](C(=O)c1cccc2c1CC(=O)CC2)c1nc(-c2ccc(Cl)cc2Cl)cs1 576952263 ZQRRKXUMIVPJMW-GOSISDBHSA-N 441.339 5.665 30 20 IKED N#Cc1cccc(F)c1CC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 579050912 OBVITDUWRWHRQF-UHFFFAOYSA-N 441.384 5.150 30 20 IKED COc1cc(CNC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2C)ccc1C#N 581041479 SRAZEMKQEPYKDI-UHFFFAOYSA-N 448.910 5.103 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC[C@H](c2cccc(F)c2)C1 591562171 WNCQUDDJPQDOQH-TTZDDIAXSA-N 426.376 5.234 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)cc1 603872834 TXMGCGQDQRTIBI-UHFFFAOYSA-N 431.496 5.188 30 20 IKED Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)C1 608837993 PCYJTOTVGXHUNH-QFIPXVFZSA-N 439.003 5.214 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 609106994 FQSZLORQEFPNEO-GOSISDBHSA-N 444.969 5.256 30 20 IKED C[C@H](NC(=O)[C@@H](C)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1Cl 609387724 JATOUITVLVYWLU-QLFBSQMISA-N 436.408 5.923 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)NCCCCSc1ccccc1Br 609680395 YJVRZCYQGFMRFG-UHFFFAOYSA-N 432.387 5.035 30 20 IKED Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609936685 ZTWPFNNMQFJECB-XMMPIXPASA-N 445.588 5.465 30 20 IKED N#CCc1ccc(OC[C@@H](O)Cn2c(-c3c(F)cccc3Cl)nc3ccccc32)cc1 610008539 XEBGONJUPHWUAJ-KRWDZBQOSA-N 435.886 5.002 30 20 IKED C[C@H](NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1 610357857 VIWONPIWWTVMAP-XUEUYAKLSA-N 444.501 5.020 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2sc(-c3ccccc3)nc2C(F)F)c1C 611186119 PXASLMOXJUKGDW-UHFFFAOYSA-N 449.486 5.674 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)c3sc(-c4ccccc4)nc3C(F)F)n2)c1 611186828 BVYRQGDZLLJAKW-UHFFFAOYSA-N 438.484 5.995 30 20 IKED COc1ccccc1-c1csc(C2CCN(C(=O)N[C@H](C)c3cccc(C#N)c3)CC2)n1 616246163 OUWMXFLZTNKLLP-QGZVFWFLSA-N 446.576 5.341 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 617346849 VAWJDXYVWLLVFY-UHFFFAOYSA-N 428.916 5.621 30 20 IKED N#C[C@H](C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 642282038 GHVKPOYEWPJSET-DLBZAZTESA-N 446.450 5.363 30 20 IKED Cc1c(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)sc2cc(F)ccc12 672444072 HNQQUZNOIMAQBP-UWVGGRQHSA-N 427.385 5.988 30 20 IKED CN(CCCNC(=S)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccccc1 726481613 UPLRWOPZIANVIX-UHFFFAOYSA-N 446.595 5.101 30 20 IKED C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 727233202 IZZGNHSMYXLLBE-ZYHUDNBSSA-N 445.224 5.127 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(N2CCCC2)cc1 728120249 YILCCWWNDKEDOX-UHFFFAOYSA-N 440.547 5.368 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)N[C@H](C)c3ccc(C#N)cc3)cc2C(F)(F)F)C[C@@H](C)O1 728130667 RWTBXRCAFQVYQB-OWCLPIDISA-N 446.473 5.073 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)c1 733805232 PBIRDSFELXZQLR-UPVQGACJSA-N 433.939 5.610 30 20 IKED C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cccc(COc2ccccc2C#N)c1 734103590 VKDOXHLGCVEGIP-KYTVRQNUSA-N 426.516 5.128 30 20 IKED COc1cc(C[S@](=O)Cc2ccc(Cl)s2)ccc1OCc1cccc(C#N)c1 735167838 ALXOTOOOILCVQA-NDEPHWFRSA-N 431.966 5.310 30 20 IKED Cc1ccc(OC2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)cc1 735171573 DYYNBFKPXVAARE-AREMUKBSSA-N 425.532 5.726 30 20 IKED C=C(Br)CNC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 735468079 COHFMMXXKOKYHJ-UHFFFAOYSA-N 443.128 5.276 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)/C=C/c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 735792512 LUUYWZBTMCNXHW-LLYBFZRZSA-N 437.343 5.799 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1ccc(N2CCCCC2)cc1 738297826 DINTUKOKPHLVEE-HXUWFJFHSA-N 436.625 5.142 30 20 IKED C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 739156614 ZYSQGKNVPIAYPN-XHDPSFHLSA-N 443.252 5.538 30 20 IKED C#CCOc1ccccc1CNC(=O)N(C)[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C 740060421 KEMKAOZFAJBXCH-IBGZPJMESA-N 433.577 5.342 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Nc3cc4c(cc3Cl)OCCO4)c2)s1 740435193 UNDNLPKKFWNJPO-UHFFFAOYSA-N 425.897 5.033 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)cc1F 743237848 GMRRXWJFDZDLRW-OAQYLSRUSA-N 437.421 6.137 30 20 IKED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2cccc(CSc3cc(C)ccc3C)c2)c1 744027327 QMNKGWXNPJLBAL-HSZRJFAPSA-N 444.556 5.566 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)C[C@H](C)c2ccccc2C(F)(F)F)cc1Cl 744031866 CQLCWUJCPSIFHR-WFASDCNBSA-N 438.833 5.209 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@H](C)c2ccc(Br)s2)cc1 744032522 GIKZSEPWWLNPSL-WOSRLPQWSA-N 433.371 5.475 30 20 IKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cscc2C)ccc1Cl 748091066 CPUAHXSHTWSEKS-UHFFFAOYSA-N 446.981 5.344 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(OC3CCCCC3)nc2)cc1 750302935 OUODQMWSSJKMIO-VWLOTQADSA-N 440.547 5.770 30 20 IKED CCOc1ccc([C@H](NC(=O)Nc2cccc(OCC#N)c2)c2cccc(Cl)c2)cc1 752193765 ZZYJVBQFTHOBEX-QHCPKHFHSA-N 435.911 5.552 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(C(=O)Nc2ccccc2)cc1 759205349 IFKLUQSOPQTVGC-QHCPKHFHSA-N 439.515 5.025 30 20 IKED COc1cccc([C@@H](NC(=O)Nc2ccc(F)cc2OCC#N)c2ccccc2Cl)c1 761665210 YVUCGPPVGGRXCP-JOCHJYFZSA-N 439.874 5.301 30 20 IKED O=C(C=C1CCCC1)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 764755595 ZJVHPXPPIABNPB-UHFFFAOYSA-N 440.224 5.472 30 20 IKED CC(C)(C)[C@@](C)(C#N)NC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12 766580776 CTAFDNRGWJHEIP-JOCHJYFZSA-N 437.341 5.117 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 767885299 YPHCKYJKSCXOMJ-AEFFLSMTSA-N 432.549 5.028 30 20 IKED COc1ccc2c(c1)c(C(=O)N[C@H](C#N)c1cccc(OC)c1OC)c(C)n2C1CCCC1 768154702 BHRHUSZWSLRMOK-OAQYLSRUSA-N 447.535 5.085 30 20 IKED N#CCCCn1cc(C(=O)OCc2ccc(OCc3ccncc3)cc2)c2ccccc21 769544008 LNWBASGOAGRQHF-UHFFFAOYSA-N 425.488 5.276 30 20 IKED N#C[C@H](C(=O)CC1(CSc2ccccc2)CC1)C(=O)Nc1ccc(SC(F)F)cc1 770840351 SQCUVCWNGFKUHZ-GOSISDBHSA-N 446.544 5.611 30 20 IKED N#C[C@@H](C(=O)/C=C/c1ccc(Cl)nc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 772639498 HBVNBVYFBJWCKN-DUSRYLSLSA-N 434.735 6.055 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)n(-c3ccc(Cl)cc3Cl)n2)cc1 776516211 KXOKDDWMRDCVHR-QGZVFWFLSA-N 441.318 5.011 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)CSc1ccc(C#N)cc1 778022384 NJTRDMZTRXHQLW-NRFANRHFSA-N 437.565 5.191 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)ccc1OC 779102192 RQRMYLVAFJAJQO-WIOPSUGQSA-N 431.492 5.164 30 20 IKED CN(c1ccccc1)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1 779196415 CGFKFJZMWZDXOR-QGZVFWFLSA-N 439.302 5.117 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H](c1cccc(Cl)c1)C1CCCCC1 780064134 HLSWKIVMWLMALF-KSFYIVLOSA-N 439.943 5.007 30 20 IKED COc1ccc(CCN(Cc2ccccc2)C(=O)Nc2ccccc2O[C@H](C)C#N)cc1 780678555 PIZURTXEZZCTMK-HXUWFJFHSA-N 429.520 5.263 30 20 IKED CC(C)c1ccc(C2(O)CCC(NC3CCC(Oc4ncccc4C#N)CC3)CC2)cc1 783329746 IZVZFPGRNMWIJE-UHFFFAOYSA-N 433.596 5.187 30 20 IKED N#C[C@H](C(=O)CC1CCC(C(F)(F)F)CC1)C(=O)Nc1ccc(SC(F)F)cc1 783351584 XSPZNFAFOIGVOH-KOHJWAIASA-N 434.430 5.407 30 20 IKED C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 785162025 RQFSZKRKWKDGJY-PBXQCXKZSA-N 437.543 5.110 30 20 IKED CC[C@@H](CN(C)C(=S)Nc1ccc(C#N)c(Cl)c1)Oc1ccc(Cl)c(Cl)c1 787199194 ZFOGIVRHIPNNNY-AWEZNQCLSA-N 442.799 6.005 30 20 IKED CC[C@H](C)Oc1ccccc1/C=C/C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 787353037 OAXNMRYMJPPPGD-ATEOEAFZSA-N 431.536 5.099 30 20 IKED C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)Cc1cccc(OCc2ccccc2C#N)c1 789770592 PHIPBDGUZLKVAE-FQEVSTJZSA-N 441.531 5.287 30 20 IKED N#C[C@H](C(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1nccc2ccccc12 792091121 JJRQJKVBCHUGRZ-NBGIEHNGSA-N 430.479 6.223 30 20 IKED Cc1ccccc1-c1noc(C)c1C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F 796796956 IBLVKLGORULLJB-UHFFFAOYSA-N 431.279 5.286 30 20 IKED C[S@@](=O)c1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 805857245 QWJFZQNYYMCNQT-WVDZOPJMSA-N 449.384 5.273 30 20 IKED Cc1cc(Br)c(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)cc1Cl 808606981 SJZRNYDZLVAKMY-UHFFFAOYSA-N 429.057 5.097 30 20 IKED CC(C)(CCC#N)CNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl 809260477 FRIHATFFNCSXGB-UHFFFAOYSA-N 448.823 5.239 30 20 IKED N#Cc1ccc(C2(c3nc(-c4ccc(-n5cnc6ccccc65)nc4)no3)CCCC2)cc1 904482053 XCXQRZFLZMYEPC-UHFFFAOYSA-N 432.487 5.202 30 20 IKED N#Cc1c(Br)cccc1OCc1nc(-c2ccsc2C(F)(F)F)no1 904921751 POMQTAMITLZOJU-UHFFFAOYSA-N 430.205 5.030 30 20 IKED N#CCOc1ccc(C(=O)/C=C\c2ccc(/C=C\C(=O)c3ccc(OCC#N)cc3)cc2)cc1 916152003 INQOSALBSCRBMC-KNBRTIFXSA-N 448.478 5.284 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCOc2ccc(C(F)(F)F)cc2)cc1 916650737 KLWIYMMDNRYOCV-QFIPXVFZSA-N 439.437 5.561 30 20 IKED Cc1cc(CC(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(Cl)cc1 916910844 JDLPIBGDBIHAPY-IBGZPJMESA-N 440.330 5.291 30 20 IKED N#C[C@@H](C(=O)C1(c2ccc(F)cc2)CCOCC1)c1nc2cc(C(F)(F)F)ccc2s1 920113292 UNXYZLMOGODZPG-INIZCTEOSA-N 448.441 5.379 30 20 IKED N#C[C@@H](C(=O)COc1ccccc1C(F)(F)F)c1nc(-c2c(F)cccc2F)cs1 920806402 KRKNXLBNMSDMLX-NSHDSACASA-N 438.377 5.362 30 20 IKED CCn1c(O)nc2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)cc21 1627853749 JYWUXENIBQPRJP-UHFFFAOYSA-N 446.894 5.118 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)/C(C)=C/c3cccnc3)CCC2)cc1 1786104515 XOMDIICGBVPGTR-CZIZESTLSA-N 429.564 5.387 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc(C(F)(F)F)ccn3)cc2)CCC1 1789827839 KJTCNMHNPGMEDG-UHFFFAOYSA-N 443.469 5.042 30 20 IKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)CCC1 1790278108 GEVJYWMEMPFCAH-MRXNPFEDSA-N 446.469 5.044 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccsc5[nH]4)CCC3)cc2)cc1 1790290380 MEBMNFORFBTHFN-UHFFFAOYSA-N 440.528 5.163 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3c(F)ccc(Cl)c3F)CCC2)cc1 1791585068 ZGQQEJIAJFQDMT-UHFFFAOYSA-N 430.882 5.169 30 20 IKED C=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(c4ccc(Cl)cc4)CCCCC2)C3)C1 1792505088 PZTHTOMJTIYJTP-NUNAXRQHSA-N 441.015 5.146 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3cccc(Cl)c3)CC1)C2 1792572170 GULZOOJAKHHRRB-WKCHPHFGSA-N 429.004 5.002 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 1797777657 YRZUZXQYLFKOAY-LILSUDLASA-N 429.004 5.074 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc4ccccc4c3)C2)CC1 1809127643 OUHVZLLRKBVQEW-AREMUKBSSA-N 444.619 5.382 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccnc1 1811954977 PRQRLHHQPDWPFN-TWJOJJKGSA-N 445.607 5.293 30 20 IKED CC(C)=CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819386992 SRCZLYFEIPUZMP-NRFANRHFSA-N 442.680 5.199 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[nH]n1 1821921142 OYTMYBOVNATPCY-ZHRRBRCNSA-N 449.530 5.062 30 20 IKED CCCCCc1ccc(/C=C/C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCC#N)CC2)cc1 1824079135 QGKXCSFUXKLCKH-ZSNJSTEGSA-N 449.639 5.356 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2scnc2C2CC2)CC1 1828822528 IOQZPHNPLHCQEU-LEWJYISDSA-N 441.641 5.022 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C\c2c[nH]c3ccccc23)CC1 1831371111 ZMJBQBAWZMTEPW-PYPPKYJESA-N 433.596 5.013 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 1831783744 NCEGJSWVBGSDGJ-CYXNTTPDSA-N 434.624 5.178 30 20 IKED CCn1c(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nnc1-c1cccc(Cl)c1 22182224 VHSNNJXEEVFFJQ-BXFSZVDSSA-N 446.020 5.030 30 20 IKED Cc1ccccc1-n1c(Sc2ccc(C#N)nn2)nnc1-c1ccc(Cl)cc1Cl 301911971 GWJFCSHKWCUQRW-UHFFFAOYSA-N 439.331 5.362 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(C(C)C)nc2onc(C)c12 303217472 TZTMLGAWLZWAAR-UHFFFAOYSA-N 440.503 5.666 30 20 IKED C=CCN(C(=O)Cc1csc2nccn12)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 428807579 RFYKNTDAWJQDGB-UHFFFAOYSA-N 449.388 5.588 30 20 IKED C[C@@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccc(C(F)(F)F)cc1 428949701 YHNQDGWCXBHTDW-INIZCTEOSA-N 426.442 5.016 30 20 IKED Cc1cnc([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)s1 429081352 MSUCINWTBOMGJC-CQSZACIVSA-N 426.929 5.438 30 20 IKED COc1ccc(CN2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1OCCCC#N 430202987 HMBKPNRPDADSAF-GAJHUEQPSA-N 448.485 5.359 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 431220019 ZHEDELNLRJKTLR-UONOGXRCSA-N 441.944 5.667 30 20 IKED CC1(C)CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)[C@@H]1c1ccncc1 432855184 QGCUFIODYUJURY-HSZRJFAPSA-N 446.938 5.801 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 433664085 MGDRPEXLRWLTBI-UHFFFAOYSA-N 435.336 5.857 30 20 IKED C[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1cccc(OCc2ccccc2)c1 434375210 ULQMHYDPQPIZNR-FQEVSTJZSA-N 441.531 5.123 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(OCC3CCCC3)CC2)cc1 435137275 KWFNNKZYCZKAIJ-UHFFFAOYSA-N 449.551 5.562 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)o1 436189208 KCUXMELGFQJENS-UHFFFAOYSA-N 438.487 5.182 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)c2)c1 437341034 DSFXOEGTWAZUCB-UHFFFAOYSA-N 440.286 5.021 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@]3(C[C@H]4CC[C@H]3C4)C2)cc1Cl 440918611 CPWBVDLFISLGJD-VMYZETSKSA-N 435.955 5.418 30 20 IKED Cc1ccc2oc(CN(Cc3ccco3)C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)cc2c1 440956362 BGGNIXICKPTONO-UHFFFAOYSA-N 447.878 5.027 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)Nc1cccc(CSC2CCCC2)c1 441036049 DXIXYBRZXNKPRF-UHFFFAOYSA-N 439.606 5.445 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCC2)cc1F 441834456 DCORWZASKWIJQV-DEOSSOPVSA-N 443.478 5.086 30 20 IKED Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(C)C 441875079 SGMMFNDVNSCZHK-DEOSSOPVSA-N 445.494 5.250 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 443942183 JMGCJMNHXABWAJ-UHFFFAOYSA-N 443.894 5.611 30 20 IKED CCO[C@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1 445240603 UNABKSNHLUBOBJ-RUZDIDTESA-N 429.520 5.231 30 20 IKED N#Cc1ccc(C2(C(=O)Nc3nc(-c4sccc4Br)cs3)CC2)cc1 445589746 WTFWYVFZAOBPIE-UHFFFAOYSA-N 430.352 5.176 30 20 IKED Fc1ccc(CNC2(c3cccc(OC(F)(F)F)c3)CCOCC2)c(C(F)(F)F)c1 446827213 MWOYSEZVMOXMFQ-UHFFFAOYSA-N 437.355 5.539 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C)nnc1-c1cccc(OC)c1 461741913 ZSLFVHNMWOCBCD-OAHLLOKOSA-N 442.972 5.221 30 20 IKED FC(F)(F)CCN1CCC(N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)CC1 463263576 CXTMQOXAQDCUFM-OAHLLOKOSA-N 436.362 5.705 30 20 IKED Cc1ccccc1-n1nc(C)c2cc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)sc21 464407752 HFXZHFLPKZHIDA-MRXNPFEDSA-N 440.450 5.608 30 20 IKED CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 466781277 ZJOVZRAKHSCOST-UHFFFAOYSA-N 444.984 5.026 30 20 IKED CC(C)CO[C@H](C)c1noc(CN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)n1 467704183 HXSMZSUXHRDELF-QGZVFWFLSA-N 449.511 5.131 30 20 IKED C[C@H](O)C[C@@H](CNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccccc1 468849664 GCCYBWRZYLRWKZ-UWJYYQICSA-N 434.923 5.288 30 20 IKED C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(SCC(F)F)cc1 469331484 KXCMYDCDXHRUHB-INIZCTEOSA-N 429.536 5.800 30 20 IKED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(SCC(F)F)cc1 469331508 KXCMYDCDXHRUHB-MRXNPFEDSA-N 429.536 5.800 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3cc(Cl)cc(C(F)(F)F)c3)ccc21 469971718 FVULFYUMHQMBIC-UHFFFAOYSA-N 435.833 5.194 30 20 IKED Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470543376 VCVTYECEBZACED-FQEVSTJZSA-N 434.540 5.006 30 20 IKED Cc1c(I)cccc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 471262896 OFOBWLZCQGYDCA-LBPRGKRZSA-N 436.318 5.246 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](CCO)c1ccccc1Br 475544330 AYCGFYGACWMJOU-HXUWFJFHSA-N 431.374 5.546 30 20 IKED CC[C@@H](NC(=O)N(C)C[C@@H](C)C#N)c1ccccc1OCc1ccccc1Br 477365465 OAHLGUGUPPKXJF-OXJNMPFZSA-N 444.373 5.280 30 20 IKED O=C(c1ccccc1C(F)(F)F)N1CCC(NCc2ccc(F)cc2C(F)(F)F)CC1 479409063 OVHXEYBEXYHKRU-UHFFFAOYSA-N 448.382 5.258 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ccc(Br)s2)s1)c1cnc2ccccc2n1 483199535 OVNXZSFRKOOGIU-NSHDSACASA-N 440.347 5.672 30 20 IKED CCCS(=O)(=O)Nc1cccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1C 483350937 LARYHFSVWILNSU-UHFFFAOYSA-N 449.532 5.063 30 20 IKED COc1cccc(Cl)c1-c1noc(C)c1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 483436785 FGALJDXALHXIDR-LBPRGKRZSA-N 435.789 5.216 30 20 IKED N#CCCN(C(=O)CSc1nnc(-c2cc3ccccc3o2)o1)c1cccc(Cl)c1 484712309 KHZQADDQQGWXCL-UHFFFAOYSA-N 438.896 5.175 30 20 IKED Fc1cccc(Cc2noc(CN[C@@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)n2)c1 488991915 INZPEWMEQJYSPD-INIZCTEOSA-N 447.354 5.602 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc3ncccc23)nnc1-c1ccc(C)cc1 489618675 OFBJHNISXWCELY-QGZVFWFLSA-N 429.549 5.107 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)NCC[C@H](c2ccccc2)C(F)(F)F)c1 490832737 ZESLFHYTLAZKPO-HXUWFJFHSA-N 428.410 5.196 30 20 IKED Cc1cc(O)ccc1NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 496334950 XVSMQEKFLDNAGM-UHFFFAOYSA-N 432.427 5.282 30 20 IKED C=CCOc1ccc(C(=O)N(CC)[C@@H](c2ccc(CC)cc2)c2cccnc2)cc1OC 496467746 JQFAARMUVUHARQ-SANMLTNESA-N 430.548 5.469 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](c1ccccc1)c1ccc2ccccc2c1 496588758 BGTBNBCIJQZCTD-MHZLTWQESA-N 440.543 5.802 30 20 IKED N#Cc1ccc(CCC(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)cc1 499134973 OXUSWEKNDDUREC-UHFFFAOYSA-N 443.934 5.262 30 20 IKED Cc1cc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc(C)c1OC(F)F 503071125 IODGMENAOGESPO-UHFFFAOYSA-N 446.504 5.173 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)Nc3ccc(NC4CCOCC4)cc3)c2)cc1 503225088 KOVGVXCHNGBJAV-UHFFFAOYSA-N 428.492 5.585 30 20 IKED CC(C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 503572906 QAYPJUCAUWWIPR-RRPUWOKSSA-N 437.971 5.265 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1c(F)cccc1[N+](=O)[O-] 504502939 NNOKHEQIQBCJCJ-UHFFFAOYSA-N 434.880 5.036 30 20 IKED Cc1cc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c(Br)s1 505360863 BPWLBTGEOWQAOG-LJQANCHMSA-N 441.350 5.393 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)n1 506846442 YMVGZWHGPRTIFC-KRWDZBQOSA-N 426.881 5.256 30 20 IKED C=CCN(C(=O)C[C@H]1CCCCC1(C)C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 508145616 DQYKLWUVYAFTDZ-GOSISDBHSA-N 446.638 5.339 30 20 IKED CN(C)[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccs1 510011034 SOHGFQWBFSWCKI-FPOVZHCZSA-N 438.984 5.481 30 20 IKED C[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1ccccc1Br 510202768 BYSFXSALDXNZQP-CQSZACIVSA-N 438.350 5.502 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H]1CCN(c2ccccc2)C1 510744790 IQOTVIKBTAGQIK-OAQYLSRUSA-N 426.520 5.307 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N(CC3CCCCC3)C3CC3)s2)cc1 511599178 NBUHYNJWAMCRTN-UHFFFAOYSA-N 427.599 5.279 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2nnc(-c3ccsc3)o2)cc1 512536201 PIVCOTLHSDCIPN-UHFFFAOYSA-N 446.488 5.042 30 20 IKED Cc1ccc(OCc2cccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)c2)cn1 512948153 NEEBARWGGNSLSS-QFIPXVFZSA-N 425.513 5.583 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2cccc(C#N)c2)c(OC)c1 512983020 KNWVMEDDXSOZNG-UHFFFAOYSA-N 425.488 5.295 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccccc2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 513666222 KVYKLCPSZIRMOW-IBGZPJMESA-N 441.512 5.558 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 514960393 ZJINONIPHHJZIZ-GFCCVEGCSA-N 441.553 5.480 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 516355484 BORIKVQLNGYEGO-HNNXBMFYSA-N 434.883 5.262 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OCc4cccs4)c3)n2)cc1 516713809 KGKVRXXODBTNFJ-NRFANRHFSA-N 441.537 5.812 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1n[nH]c(/C=C/c2ccccc2)n1 517449145 PINHPISGQBTZEE-PCUGXKRQSA-N 435.578 5.100 30 20 IKED C[C@@H]1C[C@H](c2ccccc2)N(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 519753198 GNCWAJYUQNGIGH-FQRUVTKNSA-N 425.532 5.947 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2)cc1 520560556 ZXQLYJBDHJSZRZ-UHFFFAOYSA-N 442.475 5.114 30 20 IKED Cn1ccnc1SCc1cccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 521495380 WYYUMWKRBOGDML-UHFFFAOYSA-N 440.528 5.629 30 20 IKED C=CCOc1ccc(CN[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1OC 521828654 OFXQYCQHHZLZMH-QHCPKHFHSA-N 431.511 5.280 30 20 IKED N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@H](CC2CCCCC2)c2ccccc2)cc1 522373475 CHMQWFWIRWCDCK-XMMPIXPASA-N 438.593 5.206 30 20 IKED CCc1c(C)sc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)c1C#N 524330419 KGJVGKWYDCHVQD-UHFFFAOYSA-N 449.919 5.197 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCc1nc2cc(Cl)ccc2s1 531281037 NOHOFHIZQFECNT-ZDUSSCGKSA-N 430.986 5.708 30 20 IKED CN(C(=O)c1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1)c1ccccc1 535314907 OIJGQOJIXDOJFQ-LJQANCHMSA-N 445.931 5.716 30 20 IKED Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1ccccc1Oc1ccccc1C#N 539764344 FTEXTRRPYLQNAR-UHFFFAOYSA-N 425.488 5.147 30 20 IKED Cc1nc(-c2cccs2)sc1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 541087464 SUBAJIWEAFZXSD-UHFFFAOYSA-N 425.926 5.143 30 20 IKED C[C@H](N[C@H](C)c1nc(C(C)(C)C)cs1)C(=O)Nc1sc2c(c1C#N)CCCCC2 544484141 SSTSODUBGTXRIK-UONOGXRCSA-N 430.643 5.320 30 20 IKED Cc1nn(CCC#N)c(C)c1CCc1nc(CC2(SCc3ccccc3)CCCC2)no1 546540927 AMECXGIQKBXDOM-UHFFFAOYSA-N 449.624 5.371 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(N4CCCCCC4)nc3)cc2)c1 553319945 JGVLMWUXIJSBDT-UHFFFAOYSA-N 441.535 5.448 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1 553371128 BGMXRBBPPRCWBB-DSNGMDLFSA-N 440.568 5.354 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(CO[C@H]2CCC[C@H](C)C2)c1 554175720 ZSNZGPNPTYDAJB-UGKGYDQZSA-N 426.557 5.477 30 20 IKED C[C@@](C#N)(NC(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C1CCCCC1 559596284 NTASLRKJBWVLQC-ASCBODFISA-N 447.623 5.112 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC(Oc4cncc(Cl)c4)CC3)c2)cc1 560656993 VHGMKDLZTYIEHG-UHFFFAOYSA-N 433.895 5.083 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccccc2-c2ncc3n2CCCC3)c1 564253943 ZOTABMLTGZAYHQ-UHFFFAOYSA-N 448.526 5.589 30 20 IKED N#Cc1ccc(SCC(=O)N2CCc3nc(-c4ccccc4Cl)sc3C2)cc1 565911972 HZLZDZIQURYLJI-UHFFFAOYSA-N 425.966 5.012 30 20 IKED CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@H](c1cccc2ccccc12)C(F)(F)F 574314125 ZLGHRUIAEBMBPM-JOCHJYFZSA-N 441.453 5.173 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(Sc2ccccc2Cl)nn1 577478331 ISVJGGRDVUWDOU-UHFFFAOYSA-N 441.988 5.277 30 20 IKED Cc1cccnc1C(C)(C)CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 578178428 SSHANADUGPVAGM-UHFFFAOYSA-N 432.499 5.079 30 20 IKED CC1(C(=O)NCCCCCOC2CCCCC2)CCN(c2ccc(Cl)cc2C#N)CC1 578800688 VFGCLPXKWKPFEB-UHFFFAOYSA-N 446.035 5.454 30 20 IKED Cc1nc(COc2cccc(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)c2)cs1 578943057 DEQSMGOHTFRWBJ-UHFFFAOYSA-N 442.500 5.342 30 20 IKED CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccc(-c2nc3ccccc3s2)s1 581570910 PPVDZNFAUIHPRY-UHFFFAOYSA-N 433.558 5.185 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COc1c(Cl)cc(Cl)c2cccnc12 584200537 COEMUUOOCUQMAH-ZDUSSCGKSA-N 446.359 5.811 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2ccc(Cl)cc2-c2nc(C3CCCC3)no2)c1 588942534 YIKBBDXDPNXVAN-UHFFFAOYSA-N 427.291 5.825 30 20 IKED CCc1noc2ncc(C(=O)[C@H](C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)cc12 590388847 YKMSCEXBKMMQEL-DADZPZSKSA-N 432.549 5.200 30 20 IKED C=CCN(C(=O)Cc1cccc(C(F)(F)F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603459000 YUPLMJNYYLQXIN-UHFFFAOYSA-N 447.438 5.499 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 603527348 KWVYGHPIWMLDDZ-XMMPIXPASA-N 439.559 5.001 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)CCCC(=O)N3)cc1Cl 603759155 VKLVRKRGOSQYDC-NRFANRHFSA-N 429.907 5.523 30 20 IKED COc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)ccc1OC1CCCC1 603808254 DNNCCTPOGMXSLH-UHFFFAOYSA-N 429.476 5.328 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1[N+](=O)[O-] 603838573 SVRUAKZFPNJGIV-CQSZACIVSA-N 432.288 5.824 30 20 IKED N#Cc1c(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)sc2c1-c1ccccc1CC2 603992094 ZTJWAXRMIJNZQJ-IBGZPJMESA-N 430.529 5.195 30 20 IKED CC(C)(C)c1noc2ncc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc12 604203255 JVSSJSPNGLNULX-UHFFFAOYSA-N 440.503 5.418 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3cccc(F)c3)C[C@@H]3CCCO3)cn2)c1 604522881 PIWMSAQMQHOPCH-QHCPKHFHSA-N 446.482 5.098 30 20 IKED Cc1ccc(C)c(OC2CCN(C(=O)c3occc3COc3cccc(C#N)c3)CC2)c1 608805698 AARVSYIFGMNDIW-UHFFFAOYSA-N 430.504 5.031 30 20 IKED CC(C)Oc1ccc(-c2nc(C(=O)Nc3cc(C#N)ccc3OC(F)F)cs2)cc1 609066273 AZTJKVHPGWARBR-UHFFFAOYSA-N 429.448 5.323 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H]3c3ccccc3)cc2Cl)c1 609079799 JIMFWSWQGGLKQH-QHCPKHFHSA-N 431.923 6.160 30 20 IKED COc1ccccc1-c1cc(NC(=O)c2cc3ccccc3n2CC#N)n(-c2ccccc2)n1 609171476 BEWCZEQACODDAN-UHFFFAOYSA-N 447.498 5.278 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)CCCc3ccc4c(c3)-c3ccccc3C4)CC2)c1 609185869 SQFVVGZFIWMUKV-UHFFFAOYSA-N 436.555 5.522 30 20 IKED CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 609439751 NJTPWZLARJCCIH-IRXDYDNUSA-N 441.622 5.397 30 20 IKED COc1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc(OC)c1OC 609722564 NKTYJKUTUODACY-UHFFFAOYSA-N 438.867 5.282 30 20 IKED Cc1cc(C)c(NC(=O)CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c(C)c1 609723462 WKBILLNTUQZPNC-UHFFFAOYSA-N 447.922 5.298 30 20 IKED COc1cccc(N2CCC[C@@H](NC(=O)c3ccccc3Sc3ccccc3C#N)C2)c1 609757717 RLHRRBLHVTZURZ-HXUWFJFHSA-N 443.572 5.117 30 20 IKED CC(C)n1c([C@H](C)NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)nc2ccccc21 609883045 DXEVAULLMQMKKB-KRWDZBQOSA-N 428.492 5.152 30 20 IKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cn3ccc(=O)c4sccc43)c2C#N)C1 610206876 WXCJELXLPMERKR-CQSZACIVSA-N 439.606 5.176 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@H](C)c1cccc(C#N)c1 610364620 WUMDNYUTMLTIFY-CABCVRRESA-N 425.941 5.366 30 20 IKED CC(C)(C)c1ccc(-c2nnc(SCc3ccnc(C#N)c3)n2Cc2ccco2)cc1 610956928 BGVWMMQFTLCHIU-UHFFFAOYSA-N 429.549 5.443 30 20 IKED CC[C@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C(C)(C)C#N)cc1 614159651 MMFHCDVGZGPTSX-KRWDZBQOSA-N 431.502 5.746 30 20 IKED CO[C@]1(C(F)(F)F)CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 614931043 CQTHKZSNQXPDSR-JOCHJYFZSA-N 447.457 5.021 30 20 IKED O=C(N[C@H]1CCSc2c(F)cccc21)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618555055 DZUJAIHXIAFLIY-CWSCBRNRSA-N 430.389 5.135 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)CC1 619713663 LRMVTTXACIWYOI-QHCPKHFHSA-N 431.536 5.138 30 20 IKED C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cccs1 619854296 VCKSAECXCMOZQC-KSFYIVLOSA-N 441.988 5.311 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(C(=O)c4ccccc4)c3)CC2)c(F)c1 672657380 QOFHCTWFLLRZQQ-UHFFFAOYSA-N 443.478 5.004 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c1C(F)F 676145555 JJMQKVIAGBYBKG-MRVPVSSYSA-N 429.311 5.369 30 20 IKED Cc1onc(-c2cccc(Br)c2)c1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 676998535 SVIBIWZGTDKORT-KRWDZBQOSA-N 432.277 5.451 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N1CCC(F)(c2ccccc2)CC1 683977721 UCNPVHQWORAUGQ-GJZGRUSLSA-N 440.403 5.566 30 20 IKED C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 685550710 IJLSRELETHSSAJ-JOCHJYFZSA-N 441.535 5.038 30 20 IKED COc1ccc2oc(C(=O)/C=C/c3csc(N(C(C)=O)c4ccc(C)cc4)n3)c(C)c2c1 729151750 XDUDSNIDCGLSNB-YRNVUSSQSA-N 446.528 6.095 30 20 IKED CCCCCCNC(=O)[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 729570871 MNZLPAIEGNVECC-NRFANRHFSA-N 448.567 5.291 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 730395652 UVYMAXQQFDRDPW-OAHLLOKOSA-N 437.286 5.174 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2nc3cc(Cl)ccc3s2)cc1 730688209 UPHOXMYXLWYHQP-RDTXWAMCSA-N 439.968 5.743 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 731117528 VQMKVQUQVZRKOR-MSOLQXFVSA-N 446.617 5.097 30 20 IKED CN(C)C(=O)Sc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 731440554 CSOJCLAYVXBTKS-UHFFFAOYSA-N 447.585 5.877 30 20 IKED N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 731479429 GPIJHZBQYGEBOA-QFIPXVFZSA-N 443.881 5.311 30 20 IKED COc1ccc(-c2cc(NC(=O)Cc3ccc(OCC#N)cc3)ccc2OC(F)F)cc1 731961822 YDJAUCOAYJCVBV-UHFFFAOYSA-N 438.430 5.047 30 20 IKED Cc1sc(NC(=O)Cc2ccc(OCC#N)cc2)c(C(=O)OC(C)C)c1-c1ccccc1 731967464 HATLCBLTTQXDTN-UHFFFAOYSA-N 448.544 5.372 30 20 IKED CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1C 732377475 NSUDCBLQSAFVHA-SFHVURJKSA-N 444.487 5.121 30 20 IKED N#CCCN(C(=O)CCC(=O)O[C@@H](c1cccc(Cl)c1)C(F)(F)F)c1ccccc1 733697842 MILLFPHKOLSJMN-FQEVSTJZSA-N 438.833 5.214 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)COc2ccc(-c3ccccc3)cc2Cl)c1 733771305 RILWPSYGEAEUQW-OAQYLSRUSA-N 434.923 5.383 30 20 IKED Cc1cc(F)ccc1-c1ccc(C=Nn2c(S)nnc2-c2ccc(OC(F)F)cc2)o1 734294603 BYPVRCUQCMMFQV-UHFFFAOYSA-N 444.438 5.425 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F 741430044 INNVJQFTAOGKFC-GBESFXJTSA-N 444.453 5.161 30 20 IKED COC(=O)[C@@H](Sc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccc(C#N)cc1 741737159 RBPFHQCCKULJMP-IBGZPJMESA-N 435.505 5.375 30 20 IKED C=CCn1c(-c2ccccc2F)nn(CN2CCC(OCC3CCCCC3)CC2)c1=S 742169375 FMIXPXNBDQBEHM-UHFFFAOYSA-N 444.620 5.425 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)Nc2cccc(OCCCC#N)c2)cc1 743109617 UORMILKNJRKFRS-KRWDZBQOSA-N 438.528 5.599 30 20 IKED C=CCN1CCC(NC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CC1 743219799 HYABHXJTWIGVCR-UHFFFAOYSA-N 444.457 5.141 30 20 IKED Cc1ccc(N(C)C(C)C)c(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)c1 745121342 HSLCBSWLVSJRQD-GOSISDBHSA-N 439.581 5.029 30 20 IKED COc1ccc2sc(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)c(C)c2c1 745339145 IULILXCNLWLDKT-UHFFFAOYSA-N 432.501 5.126 30 20 IKED N#Cc1ccsc1NC(=O)COC(=O)c1c(Cl)cccc1Oc1ccccc1Cl 745552541 UYDUJYPZUXJHRV-UHFFFAOYSA-N 447.299 5.514 30 20 IKED C=CC[C@H](NC(=O)N[C@H](c1cc(F)ccc1F)c1ccccc1Cl)c1ccncc1 745827328 JIDJSVGJAIVGLE-VXKWHMMOSA-N 427.882 5.719 30 20 IKED C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)NCc1cc(C#N)ccc1F 745893148 ODKBEYNSESXILC-INIZCTEOSA-N 441.959 5.755 30 20 IKED C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 746600974 ZCRVJXIAKQQJGL-UHFFFAOYSA-N 434.496 5.036 30 20 IKED N#CC1CCN(CC(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)CC1 747088648 JWQUIIQELZAAEM-PLSCPLDUSA-N 438.575 5.045 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc(-c2ccccc2)ns1 747203660 CADVLLUQUZDGCO-HNNXBMFYSA-N 429.473 5.086 30 20 IKED COc1cc(/C=C2/CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(F)(F)F 750903513 CGRKJDVSYLQYOA-IPPJXQLGSA-N 433.382 5.374 30 20 IKED COc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1-c1ccccn1 754818100 MJYDMLSUUJAQQQ-INIZCTEOSA-N 440.286 5.025 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc3ccccc3c2O)cs1 757474915 NPZLOKPPDGYAEO-UKTHLTGXSA-N 432.476 5.722 30 20 IKED C[C@@H](ON=CC(=O)Nc1ccccc1Cl)c1nnc(-c2ccc(Cl)cc2Cl)o1 757611289 CFDDNVDQNPWMMV-SNVBAGLBSA-N 439.686 5.399 30 20 IKED C=C[C@H](CC(=O)OCc1csc(N(C(C)=O)c2ccccc2CC)n1)c1ccccc1 758910519 ZIKHEDPSDXPCKK-HXUWFJFHSA-N 434.561 5.793 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2ccc(F)cc2OCC#N)ccc1OCCC(C)C 761663789 MIPLJZRUCHKUJJ-INIZCTEOSA-N 429.492 5.044 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)O[C@H]2CCO[C@H](C3CCOCC3)C2)c1 763147054 KONBMZJZCJRIAG-CVDCTZTESA-N 441.911 5.135 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c1 767213485 BJBMHVGAELODKF-URXFXBBRSA-N 448.954 5.199 30 20 IKED CN(CCC#N)c1ccc(CN2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 769305724 LYSDJUANEJIRFY-FQEVSTJZSA-N 435.959 5.119 30 20 IKED N#CCCCn1cc(C(=O)OCc2ccc(OCc3ccccn3)cc2)c2ccccc21 769546539 MOHKXSNYFGQOJW-UHFFFAOYSA-N 425.488 5.276 30 20 IKED CCOc1cc(/C=C/C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)ccc1O 780896538 NWVKTQGGSFWWBK-UKTHLTGXSA-N 428.488 5.088 30 20 IKED CCOC(=O)C1C/C(=C/c2ccc3cnccc3c2)C(=O)/C(=C\c2ccc3cnccc3c2)C1 782325928 DGFLFSLXYOWXCS-WFBNZKAHSA-N 448.522 5.792 30 20 IKED CCOC(=O)C1C/C(=C\c2scnc2C2CC2)C(=O)/C(=C/c2scnc2C2CC2)C1 782330082 XOOSDXQXNNNNTE-KAVGSWPWSA-N 440.590 5.364 30 20 IKED CC(=O)[C@@H]1C[C@H](CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1(C)C 783070195 UXYCKEZDEDZRFH-WQVCFCJDSA-N 435.376 5.935 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)[C@H](C#N)C(=O)NCc2cccc(Cl)c2)cc1 786530360 HETTUVJAFLCPOG-NRFANRHFSA-N 445.931 5.002 30 20 IKED N#Cc1cc(C(=O)OCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)ccc1F 792323410 HHHZXDPIOARXQH-UHFFFAOYSA-N 436.053 5.106 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCOc2c1ccc(Cl)c2Cl 792780404 PZJSTIFKEVNLJS-SWLSCSKDSA-N 436.364 6.033 30 20 IKED O=C1/C(=C/c2ccc(-c3ccc(C(F)(F)F)cc3)o2)CCc2c1cnn2-c1ncccn1 792898728 FNIVDPIYIAASEZ-NTCAYCPXSA-N 436.393 5.154 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc4ccc(C#N)cc4c3C)n2)cc1 796774662 MWPMRHMEZWENJD-SFHVURJKSA-N 429.526 5.704 30 20 IKED CN(C)C(=O)Sc1cc(NC(=O)c2cn(CCCC#N)c3ccccc23)ccc1Cl 805437847 VQOSKWCINJNLQM-UHFFFAOYSA-N 440.956 5.624 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C/c2cn(C)nc2C(F)F)C(=O)c2ccccc2)c(Cl)c1 812241942 OXUHAUYKBIKFAW-GZTJUZNOSA-N 443.881 5.533 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)C(C)(C)c1csc(-c2c(F)cccc2Cl)n1 813152575 FZTYBORDAVMZHA-ZDUSSCGKSA-N 443.931 5.810 30 20 IKED C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc(N2CCCOC2=O)cc1 815615053 GXLZXWDVFPWRCO-UXHICEINSA-N 425.532 5.984 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)c2C#N)C1 906802206 CPDNEHSLEWOBNG-CQSZACIVSA-N 425.554 5.273 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1 915087060 PQWIYVXJCHKJEQ-JOCHJYFZSA-N 443.959 6.300 30 20 IKED COc1cc(Br)c(/C=C/C(=O)c2ccc(Br)s2)cc1OC 916134106 BUPHWLXPVHBKLC-ONEGZZNKSA-N 432.133 5.186 30 20 IKED Cc1sc2ncn(N=Cc3cn(CCC#N)c4ccccc34)c(=O)c2c1-c1ccccc1 916284118 MGQCKHFHWYXHPB-UHFFFAOYSA-N 437.528 5.184 30 20 IKED N#C[C@@H](C(=O)CCCc1ccc(Cl)cc1)C(=O)Nc1ccccc1Oc1ccccc1 916905601 MLVSPSZNHJBVLO-NRFANRHFSA-N 432.907 5.803 30 20 IKED N#C[C@H](C(=O)CSc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1Cl 916928412 KMDGNMGXACIXOW-CYBMUJFWSA-N 447.265 5.452 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)cc1 916951158 XIZLMNDNNRPMKS-VGSWGCGISA-N 449.551 5.437 30 20 IKED N#C[C@@H](C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc(-c2ccc(Cl)cc2)cs1 916976591 SSYFELLOIZTXJN-INIZCTEOSA-N 436.842 5.781 30 20 IKED COc1cc(CN(C)C(=O)c2ccccc2SCC#N)ccc1OCc1ccccc1 917365902 XPTRGKCMNXYPCF-UHFFFAOYSA-N 432.545 5.162 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)n1 920328380 YHMAWJGUPCFBPG-DYLHUKMJSA-N 426.494 5.077 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2nnc(C3CCCCC3)s2)cc1C 920851606 ONTGNXLUGGFVQN-UHFFFAOYSA-N 434.569 5.232 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3cccnc3Cl)cc2)CCC1 1786771771 CDNNHFHSJDHSGU-OAQYLSRUSA-N 437.971 5.180 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccsc4)cc3)CCC2)c1 1787285929 ICTGNLPDRBMXDX-QGZVFWFLSA-N 429.545 5.437 30 20 IKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)o4)cc3)CCC2)cc1 1788879165 UWLGFWBKLBSFLF-UHFFFAOYSA-N 447.922 5.185 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)n[nH]1 1816202488 BXXCXWUVDWJICW-ZHRRBRCNSA-N 449.530 5.062 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccccc2F)n[nH]1 1822965186 ATOFOLWOSCIKQR-NRFANRHFSA-N 440.563 5.166 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cnc2Cl)CC1 1823754023 VTIYXNYFYLKDNF-FQEVSTJZSA-N 449.998 5.100 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(Cl)c2)CC1 1828827912 ZKUDYIILKJPGPR-DHIUTWEWSA-N 429.004 5.342 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 1831474919 IFRXFYWOMKABRQ-OCFYOKIWSA-N 426.645 5.201 30 20 IKED Cc1ccc(-c2csc3ncnc(S[C@@H](C)C(=O)Nc4ccccc4C#N)c23)cc1 10496626 ARAUQIDLTXZRPV-HNNXBMFYSA-N 430.558 5.658 30 20 IKED COc1cc(/C=C/C(=O)C2CCCCC2)ccc1OCC(=O)Nc1ccccc1Cl 18063225 JZHLUARAIJMMRE-ACCUITESSA-N 427.928 5.529 30 20 IKED CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(-c3ccc(C#N)cc3)cc2)c1 21372840 AUDBRBASWSPDHX-IBGZPJMESA-N 441.531 5.113 30 20 IKED C=CCn1c(C)nnc1SCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 24966472 XUHXNKQOXVJCCD-UHFFFAOYSA-N 428.970 5.348 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3cccc(Cl)c3)o2)c1 26192955 CNLMTTCCVOGHME-INIZCTEOSA-N 440.956 5.434 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 32789420 ZCAUMTIRWLAIPE-OAHLLOKOSA-N 446.498 5.193 30 20 IKED C=CCn1c(S[C@H](C)c2nc(CCCC)no2)nnc1-c1ccc(Br)cc1 97120480 VOCXUSRKRSZPCT-CYBMUJFWSA-N 448.390 5.473 30 20 IKED C=CCn1c(SCC(C)(C)O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 97549734 CFUGUOOWSAOLSP-UHFFFAOYSA-N 430.577 5.518 30 20 IKED O=C(/C=C/c1ccc(-c2cccc(Br)c2)o1)c1cccc(N2CCOC2=O)c1 195731368 CQDBWAHPWNJMSP-VQHVLOKHSA-N 438.277 5.562 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCC(C(F)(F)F)(C(F)(F)F)C3)c2)c1 303731065 ZFCIRSPNTUYMOH-UHFFFAOYSA-N 442.359 5.094 30 20 IKED CCOc1ccccc1Oc1ccc(C/N=C(/N)Nc2ccc(OC(F)(F)F)cc2)cn1 303872603 CCHQGRDVUJUPHQ-UHFFFAOYSA-N 446.429 5.098 30 20 IKED CC(C)(C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)c1csc(-c2cccs2)n1 410096782 WGDIWEVZRZGYNI-AWEZNQCLSA-N 435.496 5.549 30 20 IKED O=C(C1CCC(C(F)(F)F)CC1)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 410111887 WUOYARMPGKHFAG-UHFFFAOYSA-N 425.388 5.861 30 20 IKED Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1 410355480 SWJPMJJYLFJROA-IBGZPJMESA-N 429.520 5.892 30 20 IKED CN(C)c1nc2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2o1 426596092 PRUQONAEONKWIU-UHFFFAOYSA-N 428.517 5.310 30 20 IKED C=CCN(Cc1cccc(C#N)c1)Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1 430035559 QLUKGEYWOAZONS-UHFFFAOYSA-N 430.577 5.001 30 20 IKED Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)[C@@H](C#N)c1nc2ccccc2n1C 430519868 LUQXXMIITMAZSU-CYBMUJFWSA-N 425.275 5.334 30 20 IKED N#CCC[C@@H](c1ccccc1)N1C(=O)[C@H](c2ccc(Cl)cc2Cl)N(C2CC2)C1=O 432395951 BPOXGULQRIUUNK-PMACEKPBSA-N 428.319 5.506 30 20 IKED N#CCCCOc1cccnc1NC(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 432428186 IZQUEARMYCSGFM-KRWDZBQOSA-N 447.308 5.035 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1 433741177 VDAYQXZALUCXTO-FPOVZHCZSA-N 434.446 5.456 30 20 IKED CCC(=O)c1cccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 434555093 GFUWCSLQMBTMCE-UHFFFAOYSA-N 443.528 5.134 30 20 IKED CCN(C(=O)c1cnc(-c2ccc(OC)c(OC)c2)s1)c1ccc(C#N)c(Cl)c1 435912935 FAADFCLVMXLDEG-UHFFFAOYSA-N 427.913 5.019 30 20 IKED CN(C[C@H]1OCCc2ccccc21)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438653963 GTUMYKWDCUDHFT-XMMPIXPASA-N 431.467 5.267 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCCc2ccc3ccccc3n2)cc1F 438658219 AWODCPHZNNIWEU-UHFFFAOYSA-N 426.451 5.402 30 20 IKED N#Cc1cc(NC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)ccc1OC(F)(F)F 442194852 NMRGVKCYBQKKDO-OAHLLOKOSA-N 432.427 5.436 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2ccc(Br)cc2C(F)(F)F)cc1 444411642 NKKORAPSTWXDDQ-UHFFFAOYSA-N 429.261 5.211 30 20 IKED CCOC(=O)[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)Cc2ccccc21 448406302 KBZXCKAEAZOWAO-XMMPIXPASA-N 441.487 5.045 30 20 IKED Cn1c(C(F)F)nc2cc(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)ccc21 462273973 CFKJTHYEXRFUHB-OAQYLSRUSA-N 446.457 5.085 30 20 IKED Cc1nc(C(F)(F)F)sc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 463460266 FORJWAGLZMALJP-UHFFFAOYSA-N 431.439 5.368 30 20 IKED Cc1nn(C)c(Sc2ccccc2)c1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 464397903 JYRABAZVKJLXGI-MRXNPFEDSA-N 431.348 5.181 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cc(Cl)ccc2OC(C)C)nnc1-c1ccco1 464677225 MTKCCPPKZJCDMH-UHFFFAOYSA-N 446.960 5.286 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc(C2CCCCC2)no1 464719239 OXIKWVKDUNWWFH-KRWDZBQOSA-N 430.508 5.467 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 465173811 BUDHOCFMXAEINU-UHFFFAOYSA-N 442.302 6.116 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(CCC(F)(F)F)cc2)cc1C 465468763 PFYOFPUZBBTKKA-UHFFFAOYSA-N 440.469 5.828 30 20 IKED COc1ccccc1O[C@@H](C)CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 466312387 PPZUVKYKVGKSPN-UWJYYQICSA-N 449.938 5.593 30 20 IKED CSc1ccc([C@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 466496179 RDMZRLFTXNFEOX-SFHVURJKSA-N 431.561 5.936 30 20 IKED CCOc1ccc([C@H](NC(=O)Nc2ncccc2OCCCC#N)c2ccccc2)cc1 466600666 KCHNVXXBXCZSAV-HSZRJFAPSA-N 430.508 5.074 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)c2cn(C(C)(C)C)nc2C)cc1 467158773 NMEASUZSPLCIIO-MRXNPFEDSA-N 447.539 5.502 30 20 IKED Cc1ccc(-n2cc(C(=O)Nc3nc(C)c(SCC#N)s3)c(C(C)(C)C)n2)cc1 468671159 CRLHCPVTYGOMCJ-UHFFFAOYSA-N 425.583 5.111 30 20 IKED C[C@H](O)C[C@H](CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccccc1 469056241 QZKKRUUEUBLBHI-FXAWDEMLSA-N 434.923 5.288 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@H]3C[C@H]3c3cccc(C(F)(F)F)c3)ccc21 469950519 NGMUZPGUFHNATH-VQTJNVASSA-N 441.453 5.031 30 20 IKED Cc1ccccc1Cc1nnc(CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)o1 472743757 BXGNQKHVKPAIAY-UHFFFAOYSA-N 426.495 5.182 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O 475556129 OGNQURCWEQGWTB-OAQYLSRUSA-N 425.960 5.461 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(N3CCCNC3=O)c2)cc1Cl 477211667 HMFLYBMWYKMROF-QFIPXVFZSA-N 444.922 5.167 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482389024 DXXXUOAURQGNEU-GOSISDBHSA-N 441.400 5.385 30 20 IKED Cc1cc(Br)ccc1CC(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 483848577 RFFHDIFJFLCIHM-UHFFFAOYSA-N 436.309 5.306 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1 484558075 MZFQCKAZNPJNRX-SFHVURJKSA-N 444.466 5.944 30 20 IKED O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)N(CCC(F)(F)F)Cc1ccccc1 484765746 GUWHZSRZFIHEPW-MRXNPFEDSA-N 440.334 5.732 30 20 IKED N#CCSc1ccccc1NC(=O)CNc1ccc(F)cc1-c1ccc(Cl)cc1 488046549 XLJPTDNVUYIFLT-UHFFFAOYSA-N 425.916 5.812 30 20 IKED CC(C)(C)n1ncc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1-c1ccccc1 488222645 YKCXYXOCGVGRAP-MRXNPFEDSA-N 433.462 5.540 30 20 IKED C=C(C)Cn1c(SCc2c(-c3ccccc3)nc3ccccn23)nnc1-c1ccncc1 489443033 HWRQEILIHMWBNZ-UHFFFAOYSA-N 438.560 5.523 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(F)cccc2F)nnc1-c1cccc(Cl)c1 489636690 SFBGKWARIJUWOQ-LBPRGKRZSA-N 434.899 5.182 30 20 IKED CN(CCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)CC(F)(F)F 504567668 GOPVFHDRMPVHJV-GOSISDBHSA-N 438.881 5.001 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@@H](C#N)c1ccccc1Cl 505632252 DNYHOPMLUKPTIO-KRWDZBQOSA-N 427.888 5.096 30 20 IKED C[C@H](SCC(=O)Nc1c(F)cccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 506237062 ZFYJLMKEYVOOJS-VIFPVBQESA-N 443.359 6.435 30 20 IKED C[C@@H]1CCN(CC(=O)Nc2sc3c(c2C#N)C=C(/C=C/c2ccccn2)CC3(C)C)C1 507205441 MVNCIJFRKZBDEH-IWAYRVGRSA-N 432.593 5.073 30 20 IKED N#CCSc1ccccc1NC(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1 509562972 BVYOCPLBXRZNBZ-QHCPKHFHSA-N 439.005 6.417 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](c1cccc(F)c1)N(C)C 510507735 KEKPDICGJLZTDA-XMMPIXPASA-N 432.499 5.223 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3cccc4cccc(Br)c34)CC2)c1 511154595 QOKDZJCYDGYUCY-UHFFFAOYSA-N 435.321 5.158 30 20 IKED CC(C)c1c(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cnn1-c1cccc(Cl)c1 511720545 PXWCMSXMAMWSCQ-UHFFFAOYSA-N 448.889 5.098 30 20 IKED C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 511925185 DEBNGXZKBKAOKZ-WZGNDQMWSA-N 440.975 5.130 30 20 IKED C=CCN(C(=O)c1ccc2c(c1)nnn2C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 512045084 KIWCXVRRMWJLLF-UHFFFAOYSA-N 444.347 5.231 30 20 IKED CCOc1ccccc1C1=CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC1 513735823 SKNZHIAPASQHSP-UHFFFAOYSA-N 438.527 5.465 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 515691412 FBMBEPPCRJGUAR-UHFFFAOYSA-N 448.935 5.952 30 20 IKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1Oc1cccc(F)c1 518170233 RTMFXDPZTPMHCX-UHFFFAOYSA-N 432.499 5.085 30 20 IKED CC(C)Oc1ccc(Cc2noc(C[C@H](CC#N)c3ccccc3)n2)cc1Br 519030811 QZEYVVBAFCXQOM-SFHVURJKSA-N 440.341 5.450 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2ccccc2OC(F)F)cc1C 519947000 ZEBYUKGWSKPIQH-QGZVFWFLSA-N 438.478 5.173 30 20 IKED CN(Cc1c(Cl)cccc1Cl)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 520174385 HHDODSMYNPZQCE-UHFFFAOYSA-N 431.348 5.576 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc2nc(C(F)F)[nH]c2c1 520717078 SYZSBXPRZHCIMK-UHFFFAOYSA-N 438.247 5.231 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(CCc1ccccc1)Cc1ccccc1 521809274 YGHDPFXYFYBEKD-OAQYLSRUSA-N 429.589 6.358 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1 523953358 BRALLADMPNHWRP-UHFFFAOYSA-N 443.484 5.296 30 20 IKED Cc1cc(OC(C)C)ccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 524662110 GBMMHKCYZLCOKR-UHFFFAOYSA-N 431.511 6.027 30 20 IKED Cc1nc(SCc2nnc(-c3cccc(C#N)c3)o2)n([C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 525110710 GJPCJLHCANWBDQ-VKRLORBYSA-N 433.581 5.711 30 20 IKED Cc1c(C#N)c(NC(=O)CCN[C@@H](C)c2cc3ccccc3s2)n(Cc2ccco2)c1C 527194504 HDPNUJFYTXRWLS-KRWDZBQOSA-N 446.576 5.512 30 20 IKED Cc1cc(C(=O)Nc2cccc(OCCCC#N)c2)nn1-c1ccc(Cl)c(Cl)c1 537429540 ZFTNCWGBRYOSKX-UHFFFAOYSA-N 429.307 5.422 30 20 IKED COCCCCN(Cc1ccccc1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 538111004 SWYGEGFIIYVFCS-UHFFFAOYSA-N 427.548 5.364 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](Cc1ccccc1)c1cccs1 541592860 FGJANXORQIWYCF-NQIIRXRSSA-N 435.618 5.512 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@@H]3c3cccc4ccccc34)n2)c(F)c1 542034132 VYANDOLMGRGZMT-JOCHJYFZSA-N 425.467 5.405 30 20 IKED COC(=O)c1occc1CN[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 543051351 AAAZVHXKQDIVKH-ZDUSSCGKSA-N 449.269 5.497 30 20 IKED CNC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1Cl 543871909 FXCNWBFDGMKTKG-HNNXBMFYSA-N 432.911 5.121 30 20 IKED CCOC(=O)COc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 544336880 WKMXDPFVKTWINZ-UHFFFAOYSA-N 446.528 5.045 30 20 IKED C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 549270523 CPCJQTRDZMJNAZ-IBGZPJMESA-N 442.498 5.057 30 20 IKED COc1ccccc1-c1ccc([C@H](C)NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1 551456023 TWKKSLVRWMWTFH-AWEZNQCLSA-N 425.410 5.139 30 20 IKED C=CCC[C@H](NC(=O)NCc1ccc(C[S@@](C)=O)cc1)c1ccc(C(F)(F)F)cc1 553993890 XDQFLPQHTSLASZ-WENCNXQZSA-N 438.515 5.091 30 20 IKED N#Cc1ccc(CN[C@H](Cc2c(F)cccc2Cl)c2ccccc2Br)nc1 554365038 XLGAEAAGZXRJKA-OAQYLSRUSA-N 444.735 5.582 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 554411835 CVTFJBHEXNWUNO-UHFFFAOYSA-N 429.524 5.738 30 20 IKED COc1ccccc1-c1cccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1 558339939 JGRYCCVAUGHDGZ-UHFFFAOYSA-N 445.494 5.448 30 20 IKED Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)CCC2 558373484 KJGQLTKEPMHZGT-HSZRJFAPSA-N 446.576 5.638 30 20 IKED N#Cc1ccc(-c2nnc(N3CCC(c4ccc(Cl)cc4)CC3)n2C[C@@H]2CCCO2)cc1 559118983 FAQHMMBWUNNVIE-QHCPKHFHSA-N 447.970 5.033 30 20 IKED C[C@@H](NC(=O)Cc1noc(-c2ccc(C(C)(C)C#N)cc2)n1)c1ccc(Cl)cc1Cl 569390599 KQTOVGYJQQJAIE-CYBMUJFWSA-N 443.334 5.264 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](OCCC)CC1 571603112 DGWPTKOEFXIDGX-KRWDZBQOSA-N 439.387 5.135 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2cccc(Br)c2)n1)c1nc(-c2ccccc2)cs1 592975389 DHCUEBHZGBLEOJ-KRWDZBQOSA-N 449.333 5.248 30 20 IKED CCCOc1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1OCCC 603738467 HEVJQJAATJCCND-UHFFFAOYSA-N 445.519 5.884 30 20 IKED CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1C 603836618 OLOHUCORJZJMLP-HNNXBMFYSA-N 427.913 5.075 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(N4CCCCCC4)nc3)c2)cc1 603921403 YBETVGBXEDZDOU-UHFFFAOYSA-N 440.547 5.359 30 20 IKED N#Cc1c(NC(=O)CCc2ncc(-c3ccccc3F)o2)sc2c1-c1ccccc1CC2 603992293 POWINAJHXWEZEI-UHFFFAOYSA-N 443.503 5.751 30 20 IKED C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604003519 LLPWKBSATQXDEL-IBGZPJMESA-N 426.516 5.226 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)cc(Cl)c1OCCC(C)C 605363165 MNVHHFKXVWWJPE-INIZCTEOSA-N 425.916 5.448 30 20 IKED C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 609378883 GYNANBWWJQYDEJ-LLVKDONJSA-N 434.892 5.411 30 20 IKED N#Cc1ccc(F)c(CN2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c1 609465073 USICJJCVFNCGCA-RUZDIDTESA-N 434.559 5.386 30 20 IKED Cc1cccnc1[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C(C)C 609682739 ANCYIUNFSNKBPO-XMMPIXPASA-N 428.536 5.554 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(C(F)(F)F)(C(F)(F)F)C3)cc2)c1 609772858 NUKOUEVRUJNKCB-UHFFFAOYSA-N 443.347 5.699 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C(F)(F)F)(C(F)(F)F)C3)cn2)cc1 609781101 ZBXDKMCWZUARDZ-UHFFFAOYSA-N 444.335 5.094 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 609845502 UJWZAWRFMBIHDV-GOSISDBHSA-N 435.593 5.992 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1)C1CC1 609863868 UFPKMCYJJZBSTB-UHFFFAOYSA-N 425.488 5.114 30 20 IKED Cc1ccc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cc1NC(=O)NC(C)(C)C 610129924 JBNDVWREXDBWMS-QGZVFWFLSA-N 433.339 5.217 30 20 IKED CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 610191106 MDSQIDQTXIRELN-UHFFFAOYSA-N 434.499 5.470 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)COCc2nc3ccccc3s2)c1 610234858 XRWSHIXZVUEXEX-UHFFFAOYSA-N 447.947 5.571 30 20 IKED CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1nc(C(F)(F)F)cs1 610407684 DNRBBJMILDNXEJ-OAHLLOKOSA-N 447.442 5.494 30 20 IKED CC(=O)N1CCCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)c2ccccc21 610497913 UPZSPSLYVFDVOV-UHFFFAOYSA-N 427.529 5.113 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 618826418 DBQVAUBFULLRSB-WOJBJXKFSA-N 432.524 5.185 30 20 IKED N#Cc1ccc(CNC(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1Cl 619826096 HDOKJNPDLIPION-OAQYLSRUSA-N 437.906 5.178 30 20 IKED Cc1cc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(C)n1CC(F)(F)F 642175265 BJUSTOYNUHPTSC-QWRGUYRKSA-N 438.334 5.307 30 20 IKED C=CCN(C(=O)C[C@@H]1CCCC(=O)N1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 673432553 SPWBDPXBQWNPFI-NRFANRHFSA-N 431.561 5.055 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)C2CC2)cc1 727588041 IGBZEGKHLJTIHV-UHFFFAOYSA-N 440.551 5.130 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3cccc(OC4CCCC4)c3)n2)cc1 727955911 XRZCDXVKWWXPBK-YYVWFHOOSA-N 439.540 5.893 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H](O)c3ccccc3C(F)(F)F)cc2)c1 731400174 LRMQZQVZOHBZJA-OAQYLSRUSA-N 441.409 5.224 30 20 IKED Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)Nc1cccc(C#Cc2ccccn2)c1 731603655 VCIDSGVGSXMQKK-UHFFFAOYSA-N 436.467 5.027 30 20 IKED N#CCOc1ccc(CC(=O)Nc2ccc(Oc3cccc(F)c3)c3ccncc23)cc1 731988063 CEEGQCKNCDUKMS-UHFFFAOYSA-N 427.435 5.250 30 20 IKED N#CCOc1ccc(CC(=O)O[C@@H](c2ccccc2)c2cccc(Br)c2)cc1 732504659 ZKUXDIAZXUQNJX-QHCPKHFHSA-N 436.305 5.227 30 20 IKED N#CCOc1ccc(COC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)cc1 733404289 QBKYQTVFXSAGHG-UHFFFAOYSA-N 428.463 5.552 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(-c3cccnc3)nc3ccc(C)cc23)c1 733770351 GRHJZEVSTKSKFH-OAQYLSRUSA-N 436.515 5.216 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(OCc3ccc(F)cc3)cc2)cs1)C1CC1 734304156 FPSXBVMCSTVMOG-JYRVWZFOSA-N 436.508 5.273 30 20 IKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1Cl 734695980 LYJJCILBNFLFJA-ISKFKSNPSA-N 445.950 5.447 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 741636055 CVYHTQBZTFIPDI-UHFFFAOYSA-N 430.357 5.296 30 20 IKED COc1ccc(/C=C(\Cl)c2nc(O)c3c(-c4ccc(C)s4)csc3n2)cc1C#N 741849241 VDDDMYNLCWYIJF-NVNXTCNLSA-N 439.949 6.051 30 20 IKED Cc1ccc(N(CCC#N)C(=O)CCc2nc3cc(Br)ccc3s2)cc1 742593729 SSDZFXCHXRUTHN-UHFFFAOYSA-N 428.355 5.247 30 20 IKED N#Cc1cc(NC(=O)c2cc(N)nc(Cl)c2)ccc1Oc1ccc(C(F)(F)F)cc1 742785463 WQHVSTYBEXMVTF-UHFFFAOYSA-N 432.789 5.252 30 20 IKED C[C@@H](SCc1cc(Cl)ccc1OCC#N)c1nc(Cc2ccc(Cl)cc2)no1 742971185 NUOKECDYBGCFJZ-CYBMUJFWSA-N 434.348 5.864 30 20 IKED CN(C[C@@H]1CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(=O)OC(C)(C)C 743093221 PELCNTVNIIWTGM-GOTSBHOMSA-N 448.567 5.205 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)ccc1NC(=O)CC(C)C 744028168 HTAWUAIOWPNWRV-NRFANRHFSA-N 427.504 5.094 30 20 IKED COC(=O)c1ccc(/C=C(\C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cc1 747154612 IAFQEWFBWAWXPQ-QNGOZBTKSA-N 447.918 5.648 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2cc(-c3ccc(OC)cc3)cs2)c1 747583217 IVKPWZFFTDMTLP-HXUWFJFHSA-N 435.549 5.104 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccc(F)cc1OC(F)F 748075941 NMDGPZWXQOQJBD-UHFFFAOYSA-N 441.335 5.134 30 20 IKED Cc1cc(C)c(NC(=O)[C@@H](C)ON=Cc2c(C)nn(Cc3ccccc3)c2C)c(Cl)c1 748100267 JANWAMBKYXSFDO-LJQANCHMSA-N 438.959 5.196 30 20 IKED Clc1ccc(CSc2nncn2N=Cc2c[nH]nc2-c2cccc(Cl)c2)cc1 755595314 YEVOGGSEQSUZAK-UHFFFAOYSA-N 429.336 5.150 30 20 IKED CC1(C)CCCN(C(=O)CCCCCCCCC(=O)N2CCCC(C)(C)[C@@H]2C#N)[C@@H]1C#N 765119590 KAFKNKYKKBRLFF-SZPZYZBQSA-N 442.648 5.189 30 20 IKED CC[C@@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(O[C@H](C)C#N)cc1 768179384 AWSDBGPYQYBFFB-IAGOWNOFSA-N 433.474 5.235 30 20 IKED C[C@H](C#N)Oc1ccc(CN2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1 768344987 BBNBSFYGOJDVGL-QVKFZJNVSA-N 432.351 5.277 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(N2C(=O)CN(Cc3ccc(C(F)(F)F)cc3)C2=O)cc1 771903000 HFCPHEPBNNDLDI-JOCHJYFZSA-N 449.432 5.330 30 20 IKED C=C(Cl)COc1ccc([C@@H](C)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)cc1 774490236 GJSIZURHNFMQBD-CQSZACIVSA-N 447.906 5.091 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2scnc2Br)cc1Cl 775612537 DEONUHRENJTVRL-AWEZNQCLSA-N 432.730 5.467 30 20 IKED N#Cc1cc(NC(=O)c2ccc(Br)cc2C(F)(F)F)c(Cl)c([N+](=O)[O-])c1 776337717 YEGWALXBPLCAAG-UHFFFAOYSA-N 448.582 5.153 30 20 IKED Cn1c(CC(=NOCc2ncc(Cl)cc2Cl)c2ccccc2)nc2ccccc21 776832737 JAALFMJFJJFMKT-UHFFFAOYSA-N 425.319 5.439 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1 777832911 XCKNFBICEOBBAI-UHFFFAOYSA-N 447.491 5.007 30 20 IKED Cc1nc(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)c(-c2ccccc2)s1 778856153 WCIUMZREAZIKIL-UHFFFAOYSA-N 429.501 5.027 30 20 IKED COc1ccc(O)cc1C(=O)/C=C\c1csc(N(C(C)=O)c2ccc(Cl)cc2)n1 779711216 KWJSGGKOEPHCOH-UITAMQMPSA-N 428.897 5.091 30 20 IKED CCCc1c(C(=O)Nc2ccccc2O[C@@H](C)C#N)nnn1-c1ccc(C(C)(C)C)cc1 780175420 GDBNHZOATWQSDH-KRWDZBQOSA-N 431.540 5.060 30 20 IKED N#C[C@H](C(=O)NC1CCCCC1)C(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 780305397 JFCPNPFEXMUCGT-KRWDZBQOSA-N 437.952 5.388 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1 780310385 ZNBKAXFPZBSPMY-QFIPXVFZSA-N 439.446 5.011 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 780521159 RLKAHORERSOQDZ-MRXNPFEDSA-N 448.910 5.551 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2Cl)cs1 782189272 PNKHPVPELQDHFU-WTKPLQERSA-N 445.859 5.425 30 20 IKED Cn1nc(C(F)(F)F)c(CN[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c1Cl 782503307 KOJIBCLWLDMGTE-SNVBAGLBSA-N 437.718 5.087 30 20 IKED CCOc1c(Cl)cccc1CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 791771041 ILWVMUXLASIZOV-IBGZPJMESA-N 448.906 5.421 30 20 IKED CCc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 795935505 UHDPIIBHMRMVMV-MRXNPFEDSA-N 449.532 5.094 30 20 IKED CC(C)(C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1[N+](=O)[O-] 796765113 SGRITVIZJOZIBS-HNNXBMFYSA-N 425.897 5.526 30 20 IKED Cn1cc(-c2ccc(/C=C3\SC(=S)N(c4ccc(C#N)c(Cl)c4)C3=O)s2)cn1 800793370 PYFPBRPZPPYYJN-IDUWFGFVSA-N 442.978 5.079 30 20 IKED C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 806201039 RRHCXKODQOOGDH-JPYJTQIMSA-N 440.551 5.200 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2ccc(C#N)c(Br)c2)ccc1F 808871248 HBBIHIFLSZGIAL-UHFFFAOYSA-N 434.265 5.059 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](NC(=O)Cc1ccccc1CC#N)CC(C)(C)O2 810957361 CXAKJXWEUMIIJH-OAQYLSRUSA-N 449.551 5.061 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 812176203 STDAVEWIZPAUMN-QGZVFWFLSA-N 436.972 5.521 30 20 IKED CC(C)c1ccc(-n2ccnc2SCC(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc1 813216461 SGDAIPCJYUKYAZ-GOSISDBHSA-N 444.482 5.378 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)cc1 837837892 IQVALIYTZKYRKD-AVRDEDQJSA-N 444.560 5.112 30 20 IKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cnn1-c1cccc(Cl)c1 915085440 LZCOOPYYMXIPQS-QHCPKHFHSA-N 426.907 5.742 30 20 IKED C=CCN(C(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(C)C 915153172 DRFXZLVAWJHQHH-HNNXBMFYSA-N 427.595 5.109 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2CN2CCCCC2)cc1 915352628 NAHVQZQELMBFDH-MHZLTWQESA-N 438.575 5.650 30 20 IKED FC(F)(F)COc1cccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)c1 915956085 ODQBYJRNPCGJJO-UHFFFAOYSA-N 426.851 5.047 30 20 IKED N#C[C@@H](C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2ccccc2n1 916848694 NGZPKZZNKUKTNO-ZGRWHYIRSA-N 434.339 6.162 30 20 IKED CC(=O)N[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1)c1ccc(Cl)cc1 916974228 HHYOEQAGYQAGKV-WOJBJXKFSA-N 437.952 5.216 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C4SCCS4)cc3)n2)cc1 920138205 BLRGNMCDSWLUBZ-SFHVURJKSA-N 438.599 5.787 30 20 IKED Cc1oc(-c2cccs2)nc1CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920142727 WDXSGSZMGZXOJN-INIZCTEOSA-N 430.514 5.126 30 20 IKED N#C[C@H](C(=O)COCc1nc2ccccc2s1)c1nc(-c2c(F)cccc2F)cs1 920804754 YQWQEZDCTQDFCI-GFCCVEGCSA-N 441.484 5.091 30 20 IKED Cc1ccc(C(=O)OC[C@H](C#N)Cc2ccc(F)cc2)cc1NC(=O)c1ccccc1F 920876312 HPQLEQACYGMLLU-SFHVURJKSA-N 434.442 5.065 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc2c(nc1O)CCC(C)(C)C2 1324233443 VPATWMXBTTUUIY-UHFFFAOYSA-N 441.531 5.314 30 20 IKED C[C@H](CC#N)N(C)c1nnc(CC(C)(C)C)n1Cc1ccccc1NC(=O)OC(C)(C)C 1723778703 IBILMJUUAZTGLL-QGZVFWFLSA-N 440.592 5.000 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cnc(C)s3)CCC2)cc1 1789454881 ISCQRXLGRRXSJR-CHHLAKQQSA-N 435.593 5.367 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccnc(C)c3)CCC2)cc1 1789624284 UMSIKFXKEMABKC-UHFFFAOYSA-N 433.596 5.449 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc5sccc5c4O)cc3)CCC2)CCC1 1790933304 STNVGSOMAYCNFG-UHFFFAOYSA-N 445.544 5.048 30 20 IKED CC[C@H](C)[C@H](C(=O)N1CCCC2(CCN(C(=O)[C@@H](S)C(C)C)CC2)C1)c1ccccc1 1809151039 AELDRTHKKYYISA-PMVMPFDFSA-N 444.685 5.002 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)cc(F)c2F)[nH]n1 1819556625 IOYXCXJCAALHIZ-GOSISDBHSA-N 448.489 5.125 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CSc2c(C)cccc2C)[nH]n1 1821922225 GBHPRXGKWHLJLD-UYAOXDASSA-N 440.613 5.023 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3cc(C)[nH]c23)CC1 1828208852 GQVVTONILVYCPK-ZCYQVOJMSA-N 447.623 5.478 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCc3cccc(Cl)c32)CC1 1831226425 VOCFEVBKTJLOAL-QTGUNEKASA-N 443.031 5.202 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(-c3ccccc3)n2)CC1 1831370330 LGGKNKHGDNWMQG-QFQXNSOFSA-N 445.607 5.194 30 20 IKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)c2cccc3c2oc2ccccc23)C1 1845735147 BOFVJVGAARBSMQ-UHFFFAOYSA-N 428.532 5.171 30 20 IKED O=C(/C(=C(\S)NCc1ccccc1)[n+]1ccc2c(c1)CCCC2)c1ccc2c(c1)CCC2 22730796 HOEWIJGQKQAAAA-UHFFFAOYSA-O 441.620 5.070 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1/C(O)=N/c1nc(CN2CCCCCC2)cs1 29637393 HWYAXBMUZZKNSL-UHFFFAOYSA-N 430.574 5.726 30 20 IKED Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2cn(CCC#N)nc2-c2ccccc2)cc1 57945582 YIKMFOJOJGEJNM-HHHXNRCGSA-N 447.542 5.539 30 20 IKED C=CCc1cc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc(OC)c1OC 302877742 UCJSBGQKRQNOLW-NRFANRHFSA-N 425.575 5.343 30 20 IKED Cc1nc(C)c([C@@H](C)N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)s1 303278461 HVZRUHFKSBJTLG-QGZVFWFLSA-N 427.618 5.187 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 303841090 MARFGJGJODNOSX-INIZCTEOSA-N 439.437 5.890 30 20 IKED CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(C#N)c(C#N)c1 430702207 QRXQFWMIHZHEPA-UHFFFAOYSA-N 425.275 5.597 30 20 IKED COc1ccccc1CSc1ccccc1NC(=O)CCc1c(C)nc(O)c(C#N)c1C 432112661 ZUSANVPBCMDYDG-UHFFFAOYSA-N 447.560 5.148 30 20 IKED Cc1ccc([C@@]2(C)CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)cc1 433268948 NJDRPJMULZEKLN-NDEPHWFRSA-N 439.559 5.836 30 20 IKED CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)s1 437885077 AYTRFFQYRZVUDA-INIZCTEOSA-N 447.564 5.363 30 20 IKED COc1ccc(C#N)cc1NC(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 438207041 OZEWPZIDGBAKEG-UHFFFAOYSA-N 432.427 5.031 30 20 IKED C[C@@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 438844385 YDMUKRRYMBVGAX-NTKDMRAZSA-N 426.520 5.344 30 20 IKED Cn1nccc1[C@H]1CCCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 439359802 ZNUTYIQPNLCGFX-NFBKMPQASA-N 433.943 5.488 30 20 IKED CSCc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 439557299 LKRCFLCHPYPBKP-UHFFFAOYSA-N 431.517 5.099 30 20 IKED CCCc1c(NC(=O)N[C@@H](c2ccccc2)c2ccncc2)cnn1-c1cccc(C#N)c1 439661827 IAWRZXCLNNTLJB-VWLOTQADSA-N 436.519 5.003 30 20 IKED C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2cn(CCCC#N)c3ccccc23)C1 443949304 PDJWCUBFLGHCDV-WOJBJXKFSA-N 442.563 5.315 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1 444903418 PSJDITLHKNJOMZ-MRXNPFEDSA-N 444.816 5.212 30 20 IKED CCOC(=O)[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)Cc2ccccc21 448354528 KMSCFXJKSNVGGH-DEOSSOPVSA-N 441.487 5.045 30 20 IKED O=C(Nc1cccc(-c2noc(C(F)(F)F)n2)c1)c1c(F)cc(C(F)(F)F)cc1F 464534220 WSZZMOOXFAIZRQ-UHFFFAOYSA-N 437.246 5.305 30 20 IKED Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2ccccc2Sc2ccccc2C#N)cc1 464893592 LTDUBLNTRILLJY-NVQXNPDNSA-N 442.584 5.916 30 20 IKED CCOc1cccc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)c1OC(F)F 465250655 GJRUKTLROCCURU-CQSZACIVSA-N 435.496 5.260 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)c1 467408557 XQRVYMWHNUFIFI-HXUWFJFHSA-N 434.584 5.344 30 20 IKED Cc1cc([C@@H](C#N)C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)nc(C)n1 467832882 DIBRNZZFGCOMSG-QGZVFWFLSA-N 438.896 5.296 30 20 IKED C=CCCCCNC(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 471680864 WMTAFAWTFQTYFH-HNNXBMFYSA-N 427.595 5.158 30 20 IKED CCc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)CCC2 478262047 YIWNNWCYXBHVNQ-HNNXBMFYSA-N 438.475 5.060 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2F)nnc1-c1cccc(OC)c1 481364786 CMMYMIDNJOYVPF-CYBMUJFWSA-N 446.935 5.052 30 20 IKED CCc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccccc1Cl 482582110 SOJSLMSKEHPRKE-ZDUSSCGKSA-N 439.853 5.323 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(Cl)c2Br)o1 486836301 YHNHHQQTMIYLMZ-UHFFFAOYSA-N 431.673 5.398 30 20 IKED COc1ccc(-c2noc(CNc3ccc(Oc4ccccc4)c(C#N)c3)n2)c(OC)c1 488204855 YQWLOFYWAVJJML-UHFFFAOYSA-N 428.448 5.030 30 20 IKED CC(C)c1noc2nc(C3CC3)cc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)c12 489095283 BDLKDTMFTYZOJV-UHFFFAOYSA-N 442.441 5.300 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C 489668739 CAGVZULMTCLDON-IBGZPJMESA-N 436.581 5.088 30 20 IKED CC1(C(=O)NCc2ccc(C(C)(F)F)cc2)CCN(c2ccc(Cl)cc2C#N)CC1 490131156 UBIBCKUBVPVYFK-UHFFFAOYSA-N 431.914 5.246 30 20 IKED Cc1ccccc1[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C1CC1 490640987 OGQAIVMZDISXOQ-SANMLTNESA-N 425.532 5.913 30 20 IKED COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1OCCCC#N 493903955 MKQVEUJGQHVARM-XMMPIXPASA-N 431.467 5.288 30 20 IKED CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 503115611 IZAPQPZTRQOQEH-OAQYLSRUSA-N 449.429 5.093 30 20 IKED COc1cc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)ccc1OCc1cscn1 505342154 FSPXCBBFFJXION-INIZCTEOSA-N 448.331 5.032 30 20 IKED N#C[C@H](C(=O)Nc1nc2ccccc2s1)c1nc(-c2ccc(Cl)cc2Cl)cs1 505450212 ZOXRAOWEHJAKMO-GFCCVEGCSA-N 445.356 5.972 30 20 IKED CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nc3c(c(-c4ccco4)c2C#N)CCC3)c1C 506072796 UVJQNFGULDJLGA-HNNXBMFYSA-N 433.533 5.213 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)Cc2csc(-c3ccccc3Cl)n2)cc1 511003121 UYYJZMNTMYEVCX-UHFFFAOYSA-N 449.885 5.469 30 20 IKED C[C@H]1CCCCN1CCCCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511413998 JLGVTLGQXNLEPX-NRFANRHFSA-N 434.584 5.108 30 20 IKED Cc1c(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nnn1-c1ccccc1 512198089 SDMJJCQMIMHPOM-QFIPXVFZSA-N 441.922 5.066 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(-c2ccccc2)c1C1CC1 512843801 JNJOAYPUDKRHSH-UHFFFAOYSA-N 434.499 5.974 30 20 IKED CCc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 513998302 AVIUWNXJWZJAID-VWLOTQADSA-N 441.531 5.539 30 20 IKED Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N(C)CCOCc1ccc(C#N)cc1 516658370 KZNQGXKARVUYGH-UHFFFAOYSA-N 444.318 5.117 30 20 IKED N#Cc1ccc(N2CCC[C@@H](NC(=O)Nc3ccccc3COc3ccccc3)C2)c(F)c1 517600315 QNPLAERMUGLSOY-OAQYLSRUSA-N 444.510 5.067 30 20 IKED Cc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1NC(=O)C(C)(C)C 517672444 LGECOCTXPVLCNT-UHFFFAOYSA-N 431.492 5.276 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(OCc2ccccc2)cc1 518256514 YMWLVEQBFRWZJH-LJQANCHMSA-N 431.561 5.982 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 518739015 JZYVYJNJXHGHEC-GOSISDBHSA-N 439.544 5.581 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ccccc2Cl)o1)c1nc(-c2c(F)cccc2F)cs1 518872960 JMNMUSSVHDRWAT-CYBMUJFWSA-N 440.858 6.492 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 525348731 MFFAFYJKUZWQPH-XMMPIXPASA-N 443.503 5.257 30 20 IKED CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(Sc2ccccc2C#N)cc1 530643775 LABQOBSDTZEHOM-UHFFFAOYSA-N 447.585 5.142 30 20 IKED Cc1ccc(OCCCC(=O)Nc2ccc(CNCc3ccc(C#N)cc3F)cc2)cc1 532989646 GZEGNWJRTSMTMO-UHFFFAOYSA-N 431.511 5.093 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1 538350996 SRUGDYMENDKELW-FYYLOGMGSA-N 438.405 5.028 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C4CC4)nc4c3c(C)nn4C)n2)cc1 538578365 GZSGLFBGDSDCPZ-GOSISDBHSA-N 427.533 5.076 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CN(CCC#N)CCC(C)C)cs1 538738837 MUJPFCDRTSMIEZ-UHFFFAOYSA-N 438.519 5.608 30 20 IKED COC(=O)c1ccc2c(c1)CN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1C)CC2 538946321 ONGQDGOJXHNTPO-UHFFFAOYSA-N 441.487 5.036 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)nn1-c1ccc(Cl)c(Cl)c1 539647484 GCXYUPNLWCOKFJ-ZDUSSCGKSA-N 439.224 5.391 30 20 IKED N#C[C@@H](C(=O)c1cc(Br)cc(Br)c1)c1ccc(C(F)(F)F)cn1 540245616 ZGRRVYAHIDXWEX-GFCCVEGCSA-N 448.036 5.115 30 20 IKED CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2CCC(CC#N)CC2)cc1 542882554 FHOOEYSLVBVFGL-UHFFFAOYSA-N 427.932 5.095 30 20 IKED N#Cc1ccc(SCc2nc(-c3cccc(NC(=O)c4ccccc4F)c3)no2)cc1 546269573 NRFORHPBOYQZHX-UHFFFAOYSA-N 430.464 5.292 30 20 IKED Cc1c(NC(=O)c2ccccc2Sc2ccccc2C#N)nnn1Cc1ccccc1F 549492539 OUQPPJFOANAIMF-UHFFFAOYSA-N 443.507 5.049 30 20 IKED N#CC1(c2ccccn2)CCN(Cc2ccc(-c3ccccc3Br)cc2)CC1 549808955 AURMLBINVPANIQ-UHFFFAOYSA-N 432.365 5.568 30 20 IKED Cc1cc(O)nc2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)ccc12 561743587 OMFJNIQNGWZDOL-UHFFFAOYSA-N 443.890 5.605 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H](C)Cc1cnc2ccccc2n1 571229172 DLHZZCORXMTYEO-IBGZPJMESA-N 438.506 5.361 30 20 IKED C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 571350747 INKDENLPLSNQGZ-AWEZNQCLSA-N 446.353 5.366 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(CN4C[C@H](C)O[C@H](C)C4)cc3)n2)cc1 578685071 MACYXPHZQSPFFX-SELNLUPBSA-N 445.588 5.218 30 20 IKED C=C(C)[C@H](NC(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1)c1ccc(F)c(F)c1 580727529 UMHGZNXYMRTQOA-SFHVURJKSA-N 427.373 5.295 30 20 IKED N#Cc1cc(C(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)cnc1C(F)(F)F 583337791 JVHWRHNCXLJPDB-ZDUSSCGKSA-N 427.348 5.011 30 20 IKED C[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1cc2ccccc2o1 585692085 KWMBDORUGNGDQD-MSOLQXFVSA-N 437.499 5.026 30 20 IKED CCOc1cc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc(OCC)c1OCC 592973294 CGDRIUPPNXQHRA-OAHLLOKOSA-N 428.485 5.122 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3coc(-c4ccccc4)n3)cc2Cl)cc1 604027285 UKBLCSBIYJQBAL-UHFFFAOYSA-N 429.863 5.840 30 20 IKED CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccc(C)cc1 604419878 GKCAGYHXIKESJV-HSZRJFAPSA-N 427.504 5.173 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)cc1 606942104 ORALBLSGXVZJRM-GOSISDBHSA-N 430.508 5.039 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N(Cc3ccccn3)c3ccc(F)cc3)o2)cc1 609058414 QXWOIKVVHXKMOZ-UHFFFAOYSA-N 427.435 5.111 30 20 IKED CCC(=O)Nc1cccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 609079053 HISVJAMDDSTCJD-UHFFFAOYSA-N 442.519 5.116 30 20 IKED COc1ccccc1SC[C@@H](C)CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 609147622 WFEHIGQRHHDJSM-KRWDZBQOSA-N 448.548 5.304 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 609319155 POBBXSOLLHTGKV-UHFFFAOYSA-N 433.581 5.426 30 20 IKED C[C@H](C#N)CSc1ccccc1NCC(=O)Nc1ccc(OCc2ccccc2)cc1 609384773 UIRRVXYXXRJLOL-LJQANCHMSA-N 431.561 5.568 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)nnn1-c1cccc2cnccc12 609408305 YOJUWPRFBXYCJN-UHFFFAOYSA-N 446.470 5.040 30 20 IKED N#C[C@@H](NC(=O)CCc1nc2ccccc2n1-c1ccccc1)c1cccc(C(F)(F)F)c1 609462452 LGVFKJDGYUXMNF-OAQYLSRUSA-N 448.448 5.358 30 20 IKED Cc1ccc(NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1OCC1CCCCC1 610163565 YIFWYKILULPFDS-UHFFFAOYSA-N 447.583 5.011 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cnc4ccsc4c3)s2)c(C(F)(F)F)c1 610224436 QSTUQINIZVZIAR-UHFFFAOYSA-N 444.463 5.486 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)CC2)cc1 611247534 IQEGBCPPHRXOMP-IRXDYDNUSA-N 445.407 5.266 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(C)n1Cc1ccccn1 620304133 DEEUVFGVHXALHX-SFHVURJKSA-N 448.498 5.440 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC(c2c(OC)cc(OC)cc2OC)CC1)c1ccccc1 676423315 OJYPTXGRMQTUQT-JOCHJYFZSA-N 438.568 5.309 30 20 IKED C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 681511300 GIAPAUDVBQTOCH-DNRKLUKYSA-N 428.339 5.268 30 20 IKED COc1cccc(NC(=O)/C(=C/c2cccc(OCCCC#N)c2)C(=O)c2ccccc2)c1 726742709 WKXWFQXVWLOSIV-XIEYBQDHSA-N 440.499 5.283 30 20 IKED Cn1c(CC(=NOCc2c(Cl)ccc3cccnc23)c2ccccc2)nc2ccccc21 730100599 QUMKPNBRKXQSEN-UHFFFAOYSA-N 440.934 5.939 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@H]1c1cccc2ccccc12)c1nc(-c2c(F)cccc2F)cs1 730923319 GNESTDFZICJJCN-GBESFXJTSA-N 430.479 6.221 30 20 IKED C#CCOc1cccc(NC(=O)N(C)CCCCCc2cc(-c3cccc(F)c3)no2)c1 731108804 COPPVAPNRJDBBE-UHFFFAOYSA-N 435.499 5.369 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@@H]1c1ccc(OC(F)F)c(Cl)c1 731493533 DLMMDZBBHYRXAL-QGZVFWFLSA-N 443.302 5.114 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(C)[C@@H]2CCCc3nc(C)sc32)c1=S 732188410 FXALVANDFMDTDG-GOSISDBHSA-N 441.626 5.008 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)ccc1OC 733230720 RLAVDFZBVKXUGW-NJAFHUGGSA-N 433.335 5.103 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(CSc3nc(C)cs3)cc2)c1 733787554 RJZUWNODGULRRQ-HXUWFJFHSA-N 437.590 5.355 30 20 IKED CC[C@H](C#N)Oc1cccc(CNc2nc(CN3CCCC3)nc3sc(C)c(C)c23)c1 733793135 IPHJCNIJNLGKTP-LJQANCHMSA-N 435.597 5.197 30 20 IKED CCC[C@@H](NC(=O)NCc1cccc(O[C@@H](C#N)CC)c1)c1cccc(C(F)(F)F)c1 733804469 DYFDSAXIUCNCEG-TZIWHRDSSA-N 433.474 5.727 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1 734079408 OZHCNNPGKIICGK-FQEVSTJZSA-N 447.922 5.613 30 20 IKED CC(C)N1C/C(=C/c2cnc(-c3ccccc3)[nH]2)C(=O)/C(=C\c2cnc(-c3ccccc3)[nH]2)C1 742429416 QFTDOZHSESBPSI-SJZPPUTKSA-N 449.558 5.227 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 742890389 RMSBDOZPXKBADT-HTAPYJJXSA-N 437.540 5.186 30 20 IKED COC1CCN(c2ccc(NC(=O)N[C@@H](C)c3cccc(C#N)c3)cc2C(F)(F)F)CC1 743143858 ROJAVNMGHCTQHY-HNNXBMFYSA-N 446.473 5.075 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)cc1 744028705 OAXJKKVEGNWWJP-JOCHJYFZSA-N 433.552 5.283 30 20 IKED Cc1c(Br)cccc1C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 744033714 VOKIUCJSCSIIQQ-CQSZACIVSA-N 426.097 5.026 30 20 IKED CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1occc1COc1cccc(C#N)c1 744926231 ARYXPUUREVUAJI-MSOLQXFVSA-N 446.503 5.428 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(N2CCCC2)cc1 749178138 IHIGAUYUZCEPLC-UHFFFAOYSA-N 446.364 5.086 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1F 750704800 VKQLPDWQWMDJGA-UHFFFAOYSA-N 435.455 5.171 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(Cl)c2cccnc12 760226113 JOTVHJRDQBTLNQ-UHFFFAOYSA-N 430.920 5.517 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/CCc3ccc(Cl)cc3C2=O)cs1 761205841 KVYCRJUGAMNTCU-GDNBJRDFSA-N 443.355 6.347 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1C#N 761778195 KCHDEKDNKAIKQV-QGZVFWFLSA-N 441.487 5.100 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(N4CCCC4)nc3Cl)n2)cc1 764761410 NSKWHQYQNBJZMT-CQSZACIVSA-N 444.969 5.019 30 20 IKED CC(C)(CC#N)COC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 764833076 AZOUHOMJAXCADD-JVDDPLHJSA-N 425.413 5.592 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 765463101 HKHSUFVHGKBXNG-QZTJIDSGSA-N 445.629 5.693 30 20 IKED C[C@@H](Cc1ccc(Br)cc1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 765915630 LYVGIBPUNYZFAT-SWLSCSKDSA-N 432.268 5.249 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)n1 770140205 BWRZMSYUQUTNRM-BFYDXBDKSA-N 426.542 5.147 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)c3c(C)nn(CC(F)(F)F)c3C)n2)cc1 778296859 DCIPYGCFNOERNX-SUMWQHHRSA-N 446.498 5.474 30 20 IKED N#C[C@@H](C(=O)CCNC(=O)c1ccc2ccccc2c1)c1nc2cc(Cl)ccc2s1 779195176 TUONQDNYHGWEPT-SFHVURJKSA-N 433.920 5.099 30 20 IKED N#CCOc1cccc(CC(=O)Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)c1 781068090 ONOZTEQEKHKFCH-UHFFFAOYSA-N 449.919 5.826 30 20 IKED N#C[C@@H](C(=O)CC1CCC(C(F)(F)F)CC1)C(=O)Nc1ccccc1Oc1ccccc1 783353755 ZPGBQVIKEREQAQ-TVPLGVNVSA-N 444.453 5.885 30 20 IKED N#C[C@H](C(=O)Cc1cc(Cl)cc2c1OCC2)c1nc2cc(C(F)(F)F)ccc2s1 784493952 XFBFCBWRNPIHSL-CQSZACIVSA-N 436.842 5.322 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)/C=C/c3cccc(OC4CCCC4)c3)ccc21 787353220 WLFJLUYWZQJVAK-GXDHUFHOSA-N 443.547 5.243 30 20 IKED N#Cc1ccc(NC(=S)N(Cc2cccc(Br)c2)CC2CC2)cc1Cl 788677568 IKZQOTXQBUQSJM-UHFFFAOYSA-N 434.790 5.583 30 20 IKED COc1ccc(-c2csc3ncnc(NN=C4CCC[C@@H](c5ccnn5C)C4)c23)cc1 790289036 ZXDPQGVWXRRFJO-MRXNPFEDSA-N 432.553 5.226 30 20 IKED COc1cc(F)c(C(C)=NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)cc1OC 794979717 QCEPFNNURSHRFD-UHFFFAOYSA-N 434.393 5.155 30 20 IKED Cc1nc([C@@H](C)OC(=O)c2ccn(-c3cccc(C#N)c3)n2)oc1-c1ccc(Cl)cc1 798800782 MWQPIDCVZCFMAX-OAHLLOKOSA-N 432.867 5.279 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)sc2cc(F)ccc12 805844016 BMRAETWXWNMVOQ-AWEZNQCLSA-N 437.521 5.428 30 20 IKED N#C[C@H](C(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1cc(C(F)(F)F)ccn1 813211092 DBNOCQBBOGPYJM-PMPSAXMXSA-N 427.451 5.636 30 20 IKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(CC3CC(F)(F)C3)C2=O)cc1 813561121 DKMRTVPYYUTUGU-IBGZPJMESA-N 443.519 5.001 30 20 IKED O=[N+]([O-])c1ccc(-c2ccc(C=Nn3c(S)nnc3-c3ccccc3Cl)s2)cc1 818229562 UDPDLDYARZSKCJ-UHFFFAOYSA-N 441.925 5.406 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(-c2ccc(-n3nc(C)cc3C)nc2)no1 904519575 LVTSURLYJAGPBS-UHFFFAOYSA-N 441.413 5.185 30 20 IKED C=CCn1c(SCC(=O)Oc2ccc(C(=O)CC)cc2)nnc1-c1ccc(Cl)cc1 914084031 MLKMDEJTPKXMMT-UHFFFAOYSA-N 441.940 5.075 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc4ccccc4c(Cl)n3)s2)cc1 914770334 GOXUBBOJPFIVSV-UHFFFAOYSA-N 437.937 5.156 30 20 IKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(C3CCCC3)C2=O)cc1 916204820 CGVBAINAXZDYIH-JOCHJYFZSA-N 449.576 5.101 30 20 IKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2F)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 916945085 RSZQJXYGKHYFSF-MRXNPFEDSA-N 446.265 5.068 30 20 IKED C[C@@H](Oc1cccc(F)c1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996675 NQEYQSFWIQAAED-BZNIZROVSA-N 435.307 5.900 30 20 IKED N#CCc1cccc(C(=O)OCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)c1 919310715 MLWHVBORTKTZTA-UHFFFAOYSA-N 434.904 5.392 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(C)n1-c1ccccn1 920804513 SOLKTJKQAYAXBD-MRXNPFEDSA-N 434.471 5.381 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4n[nH]cc4c3)cc2)CCC1 1788435743 VAAWSUWJLVWGIQ-QFIPXVFZSA-N 428.536 5.079 30 20 IKED COc1ccc(Cl)c(C(=O)Nc2ccc(C3(NC(=O)[C@@H](S)C(C)C)CCC3)cc2)c1 1792083615 DVTIRXYPBHOGGQ-FQEVSTJZSA-N 447.000 5.051 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2cccc(C)c2)[C@H]1c1cccnc1 1802490313 DRRWKFRKJQYUOX-RSXGOPAZSA-N 447.623 5.021 30 20 IKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(Cl)c(Cl)c1 1803903036 XINCGHPIOANOJY-MUJYYYPQSA-N 441.786 5.092 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3c[nH]c(C(C)(C)C)c3)C2)CC1 1807451947 NYKBUHPCNMYLTR-UHFFFAOYSA-N 427.633 5.149 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3ncccc3c2)n[nH]1 1818475159 KLBCFZIBLSSJFP-QHCPKHFHSA-N 443.551 5.032 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ccoc23)[nH]n1 1819555761 ABSOJBZQRDODCN-FQEVSTJZSA-N 434.540 5.454 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)c(OC)c2)CC1 1830068185 VKFWYNSHGAPUGX-DNQXCXABSA-N 438.612 5.005 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1 1831482746 WJHUNLVDEZLACD-DYRSJPJJSA-N 426.645 5.201 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832632551 STMGTQNHURZRQL-PXDATVDWSA-N 449.639 5.539 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cccc(Cl)c1)=C(/S)Nc1ccccc1OC 10118193 GSMHMSDIMXTDNG-UHFFFAOYSA-O 425.961 5.249 30 20 IKED C=CCN(C(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1)c1nc(-c2ccccc2)cs1 14055218 IFQCNQXAQLZVOY-HXUWFJFHSA-N 439.968 5.250 30 20 IKED Cc1ccccc1-c1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)o1 16659301 PSKHTCYVZUEZHP-UHFFFAOYSA-N 449.580 5.571 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1ccoc1C 16726748 ZPORHTKYNLMXBY-AWEZNQCLSA-N 446.960 5.122 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(Nc2ccc(OC)cc2)s1 20055132 KYURZOCKWQHRCI-UHFFFAOYSA-N 444.607 5.299 30 20 IKED Cc1c(C#N)c(NC(=O)CSC2=Nc3ccccc3CS2)n(C2CCCCC2)c1C 25805543 SMCGSIHGJFLTHQ-UHFFFAOYSA-N 438.622 6.088 30 20 IKED CC(=O)CCc1ccc(OCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 62882223 MOGHQXJKCIMTMF-UHFFFAOYSA-N 448.906 5.543 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(Oc4cccnc4)cc3)s2)cc1 63263626 PPIWZJLAMKBTHP-UHFFFAOYSA-N 445.529 5.142 30 20 IKED CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 63597368 BUOOIUMMSWHCQD-UHFFFAOYSA-N 440.908 5.050 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2nc3ccccc3s2)s1)c1nc(-c2ccncc2)cs1 195662492 GFNPKAQCBJBAIC-CQSZACIVSA-N 444.566 6.033 30 20 IKED Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)cc2)n1 303229447 XJPHDIUVYYLOEJ-UHFFFAOYSA-N 436.515 5.501 30 20 IKED Cc1cc(Cl)cc2nc(SCC(=O)Nc3ccccc3SC[C@H](C)C#N)oc12 303728501 YKXIOKSTNLOCRG-GFCCVEGCSA-N 431.970 5.772 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)cc1 409581734 MLWNLMJEBZFYNC-ZEQKJWHPSA-N 426.516 5.035 30 20 IKED N#CCCn1ncc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1-c1ccccc1 429115290 OICUFKOQOWNPOL-MRXNPFEDSA-N 431.908 5.217 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)cc1 431513798 NCGAAQDWXCWIEL-HSZRJFAPSA-N 439.506 5.538 30 20 IKED N#CCCC[C@H](NS(=O)(=O)c1ccc(OCC(F)F)c2ccccc12)c1ccccc1 431624678 WUVGTHJAVZVNAZ-FQEVSTJZSA-N 444.503 5.197 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)N[C@@H](CCCC#N)c3ccccc3)s2)cc1 431930287 FBMVOSVEXRAILV-UGKGYDQZSA-N 432.593 6.222 30 20 IKED CC1(C)CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)[C@H]1c1ccncc1 432771633 MCVKGAWBGBOLAB-QFIPXVFZSA-N 432.911 6.014 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cccc(N(C)C(=O)NCC)c1)c1ccc(C(F)(F)F)cc1 433228951 XTNIJTMLKJAIRW-HXUWFJFHSA-N 448.489 5.700 30 20 IKED Cc1ccccc1-c1ccc(CN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C(C)C)s1 435626919 MAMKUVONWUHSIZ-UHFFFAOYSA-N 435.524 5.110 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](Cc1cccc(Cl)c1F)C(C)=O 436211684 RYJDOQFHKFWGTA-IBGZPJMESA-N 429.948 5.140 30 20 IKED CCCc1c(NC(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)cnn1-c1cccc(C#N)c1 439691807 NZBCGMGMNUYCBX-FXAWDEMLSA-N 431.515 5.245 30 20 IKED N#Cc1cc(NC(=O)C(=O)Nc2cccc(Oc3ccnc4ccccc34)c2)ccc1Cl 440328368 PAQRYABQEJQSNM-UHFFFAOYSA-N 442.862 5.129 30 20 IKED N#Cc1ccc(CCC(=O)N(Cc2ccncc2)c2ccc(F)c(Br)c2)cc1 442413414 RCVSZPZGYQCDLG-UHFFFAOYSA-N 438.300 5.021 30 20 IKED N#C[C@H](C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc2cc(Cl)ccc2s1 442674225 XNCQZHXUBKWVPT-LLVKDONJSA-N 425.775 5.367 30 20 IKED N#CC1CCC(CN[C@H]2CCCc3nc(-c4ccccc4Br)sc32)CC1 442867375 OFZKBEUPMVPWHN-JMLCCBQJSA-N 430.415 5.870 30 20 IKED N#CCCCn1cc(C(=O)N2CCC[C@@H]2c2ccc(Br)s2)c2ccccc21 444267368 KJGKOBVANFGEET-GOSISDBHSA-N 442.382 5.746 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C 444722010 GLQMMCMPFKQNLH-LZJOCLMNSA-N 444.000 5.135 30 20 IKED O=C(NCCc1nc(C(F)(F)F)cs1)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F 446357666 NQISATYDWHLQMC-LBPRGKRZSA-N 449.779 5.100 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1ccc(-c2nc3cccc(Cl)c3s2)cc1 448288764 CGGSSZMOQCWWGO-UHFFFAOYSA-N 436.924 6.157 30 20 IKED C=CCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2-c2nc(C)no2)cc(OC)c1OC 448455152 BQKWLOTUTDPKAN-UHFFFAOYSA-N 447.413 5.062 30 20 IKED COc1ccc(S(=O)(=O)Nc2ccccc2S[C@@H](C)CC#N)c(Cl)c1Cl 460826456 AGSDELCPXQCBRD-NSHDSACASA-N 431.366 5.197 30 20 IKED Cc1nc(Sc2nnc(-c3ccccc3F)n2Cc2ccco2)c(Cl)cc1C#N 461962904 YBCNFXYZARQWNU-UHFFFAOYSA-N 425.876 5.105 30 20 IKED N#C[C@@H](C(=O)c1ccc(Sc2ccccc2Cl)nn1)c1cc(C(F)(F)F)ccn1 464408418 DHGBIBZYIZGBPL-GFCCVEGCSA-N 434.830 5.185 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCc1csc(N2CCCC2)n1 466000869 JOIADHPZRQITAR-UHFFFAOYSA-N 447.564 5.080 30 20 IKED Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1occc1COc1cccc(C#N)c1 468161500 WHNSLHSXVYBLEC-IBGZPJMESA-N 429.520 5.670 30 20 IKED C[C@H]1C[C@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2cccc(Br)c21 469285495 GVNYNHZFKCCDRM-YWZLYKJASA-N 438.369 5.692 30 20 IKED CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1cc(-c2cccc(C#N)c2)no1 469298481 RVYBCJIPIFEOFM-UHFFFAOYSA-N 440.503 5.353 30 20 IKED Cc1ccc(-n2ncc(NC(=O)c3cn(CCCC#N)c4ccccc34)c2C(C)C)cc1 469849801 CCBXYIKYNYXDTJ-UHFFFAOYSA-N 425.536 5.815 30 20 IKED CC(C)(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(C(F)(F)F)c1 470777270 SVGMFRZUBHPNMW-UHFFFAOYSA-N 443.469 5.205 30 20 IKED C=CCN(C(=O)[C@H](C)c1cccnc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 470831312 LPTWIQJQUOJOPI-LJQANCHMSA-N 425.557 6.195 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 471253472 NCPAXSANBKCHNA-QHCPKHFHSA-N 440.547 5.303 30 20 IKED Cc1ccc(C)c([C@@H]2CCCN2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 474730249 HTRGKLUFMLQHMK-FQEVSTJZSA-N 449.605 5.688 30 20 IKED CCN(C(=O)[C@@H](C)Oc1ccccc1C#N)[C@@H](c1cccnc1)c1csc2ccccc12 480975008 XTJTVGUHLLXQES-CJAUYULYSA-N 441.556 5.573 30 20 IKED O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1cc2ccccc2n1CC(F)(F)F 500224817 CQFVIBZWHPDNMI-UHFFFAOYSA-N 448.338 5.926 30 20 IKED C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1 500336016 LMIDHEBUQWKNBS-SAVREHANSA-N 438.955 5.406 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnccc3Oc3ccccc3)n2)cc1 501353088 PIRAFJIYKFUKSR-IBGZPJMESA-N 427.485 5.496 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1nc2ccccc2[nH]1 503515390 HFHYJGLTZQHAGM-INIZCTEOSA-N 433.265 5.003 30 20 IKED N#Cc1ccc(CN(C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)C2CC2)cc1 504941741 JOKFZDREJOWTAA-XMMPIXPASA-N 430.939 5.265 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCCc3cn(C4CCCC4)nc32)cc1 506401192 KYIITMLYXVJWDW-HSZRJFAPSA-N 447.583 5.012 30 20 IKED C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CCCC2(CCOCC2)C1 508738410 FUDXAUDTRTWCJS-UHFFFAOYSA-N 444.579 5.107 30 20 IKED C[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 510185134 KLXVTRVSJJKKIH-CQSZACIVSA-N 429.461 5.432 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)cc1 510761452 FPFMBRXCHBNKTF-UHFFFAOYSA-N 446.378 5.664 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(COc2ccccc2)CC1 510873137 QZTXOCJGEDWZKP-UHFFFAOYSA-N 441.531 5.982 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2Cc2ccccc2)cc1 511404592 LRMNPCLPPVRQDM-DEOSSOPVSA-N 425.532 5.571 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc(Cl)c1OCC(C)C 512974725 GXPAHOBOBNFEDY-MRXNPFEDSA-N 441.940 5.392 30 20 IKED COc1cc([C@@H](C)NC(=O)CSCc2ccc(C#N)cc2)ccc1OCc1ccccc1 515685191 XXHSHPZWGKCXNQ-LJQANCHMSA-N 446.572 5.256 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(F)cc1Br 516670489 LMLVYXANKLGCOH-UHFFFAOYSA-N 425.257 5.813 30 20 IKED C[C@H](c1cccs1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 518149238 HBDIIJZPTVQDJC-BEFAXECRSA-N 437.952 5.215 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 518682945 BBZAMBFBQYBHFJ-INIZCTEOSA-N 436.512 5.586 30 20 IKED COc1cccc(N2CC[C@@H](CNC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)C2)c1 518753554 SSFXWBQSUDYSMY-FQEVSTJZSA-N 442.519 5.007 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 519158306 LFWFLBLZJREUPI-UHFFFAOYSA-N 439.431 5.005 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)NCc3csc(-c4ccccc4)n3)c2)cc1 522367067 GLVUSLCIHIVODU-UHFFFAOYSA-N 425.513 5.191 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(Oc4cccnc4)cc3)cc2F)c1 524455992 KRBPSTFDNUXNDF-UHFFFAOYSA-N 439.446 5.716 30 20 IKED CC(=O)Nc1ccccc1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 524704747 VTAOKJROAKSGKP-UHFFFAOYSA-N 434.883 5.284 30 20 IKED Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1NC(=O)NC(C)(C)C 525371525 DEOCJDSYSLUPDX-UHFFFAOYSA-N 442.519 5.831 30 20 IKED CCN(C(=O)C(=O)Nc1ccccc1SCCC#N)[C@H](C)c1cccc(C(F)(F)F)c1 527143382 GCLVUQBBNRJVKM-OAHLLOKOSA-N 449.498 5.259 30 20 IKED COc1ccccc1COc1cccc(NCc2nnc(-c3cccc(C#N)c3)o2)c1C 533953965 INYZOBHRTXMJPN-UHFFFAOYSA-N 426.476 5.116 30 20 IKED C[C@H](C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)c1cccc(C(=O)c2ccccc2)c1 534906180 XUFUDPDVEOUYHZ-KSFYIVLOSA-N 436.433 5.421 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cc(-c3ccccc3)cnc2C)nnc1-c1ccco1 536457809 BYECNEWYTJDPKC-UHFFFAOYSA-N 445.548 5.215 30 20 IKED CCCN1C(=O)CCc2cc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)ccc21 536941212 CPFXUMASWCVTLV-UHFFFAOYSA-N 439.515 5.079 30 20 IKED COc1cc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc(OC)c1Br 537226184 QALDGUNSFMAOKI-UHFFFAOYSA-N 446.345 5.028 30 20 IKED C[C@H](NC(=O)c1ccccc1Oc1ccccc1C#N)c1nc(-c2cccc(F)c2)no1 537554156 KVXIKWMGMVJOQJ-HNNXBMFYSA-N 428.423 5.031 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](Cc1ccccc1)c1ccccc1F 539361150 KBGVUXAFOLJXOC-NTKDMRAZSA-N 447.579 5.590 30 20 IKED COCc1ccc(C(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1 542171263 ZDVXSMWDQSEGFB-ZDUSSCGKSA-N 449.269 5.497 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2c(-c3ccccc3)nc3ccccn23)o1 545995844 WGAAFFMIXXLDGM-UHFFFAOYSA-N 434.455 5.297 30 20 IKED CC[C@H](NC(=O)c1ccccc1)c1noc(-c2cccc(OCc3ccccc3C#N)c2)n1 557517233 IOTPIALBUXIYCF-QHCPKHFHSA-N 438.487 5.068 30 20 IKED C=CCOc1ccc(CNCc2cccc(-c3nc(CC(F)(F)F)no3)c2)cc1Cl 558487751 HLRDOXKMFBYHLQ-UHFFFAOYSA-N 437.849 5.349 30 20 IKED C=C(C)Cn1c(C2CCCC2)nnc1N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 558992330 VKHGQGFHNJUMFB-IBGZPJMESA-N 436.535 5.085 30 20 IKED C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1cccs1 559167930 BUNFRDLTNKTYKU-QGZVFWFLSA-N 447.539 5.175 30 20 IKED N#Cc1cc(C(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)ccc1F 560018104 FQYZTXPWQDKDED-UHFFFAOYSA-N 447.853 5.837 30 20 IKED N#CCc1cccc(Br)c1OCc1nc(-c2ccc(C(F)(F)F)cc2)no1 563919245 PGOPFGOQHPFMFM-UHFFFAOYSA-N 438.203 5.163 30 20 IKED O=C(c1c(F)cc(C(F)(F)F)cc1F)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 564511592 WRPOFEDPQXYVGN-MRVPVSSYSA-N 444.347 5.479 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc3c(C)cc(O)nc3c2)cc1 565974762 ZPSKRJDGJADWQJ-UHFFFAOYSA-N 425.444 5.174 30 20 IKED Cc1cc(O)nc2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)ccc12 572517610 CQPYFWLXVMGYRH-OAQYLSRUSA-N 427.891 5.810 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1 579749379 VPDGRZASFKJGLH-HNNXBMFYSA-N 437.487 5.543 30 20 IKED COc1cc(C(=O)NC2(C#N)CCCCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 585719891 YVWZAGUHZIIAFX-UHFFFAOYSA-N 429.860 5.005 30 20 IKED N#Cc1ccc(CNc2ccc(F)c(NC(=O)Cc3ccccc3)c2)c(C(F)(F)F)c1 589511006 QGYXAVXSRWFCEG-UHFFFAOYSA-N 427.401 5.509 30 20 IKED C=CCN(C(=O)Nc1ccccc1Oc1ccccc1)[C@@H](C)c1cccc(-n2cnnn2)c1 596341298 JRBPQEZOCLZCSZ-IBGZPJMESA-N 440.507 5.236 30 20 IKED C[C@H](Oc1ccc(F)cc1Cl)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603054509 XLTNCXWYHKSWQE-IVZWLZJFSA-N 435.767 5.272 30 20 IKED COc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1NC(C)=O 603449079 FERTYCXCYCBSED-UHFFFAOYSA-N 431.517 5.070 30 20 IKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@H](C)c1ccc(C#N)cc1 603737621 UMTUGOAYRJXEIG-CYBMUJFWSA-N 427.335 5.088 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccn(-c4cccc(Cl)c4)n3)c2)cc1 604117527 WQJQJSAASLJSQX-UHFFFAOYSA-N 442.906 5.423 30 20 IKED N#C[C@@H](C(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1)c1ccccn1 604929622 IPZAMLXQCGWFNU-HSZRJFAPSA-N 433.467 5.616 30 20 IKED C=CCOc1ccc(C(=O)N2CCC[C@@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)cc1OC 605380393 LIRFQRHRRYFNPF-HXUWFJFHSA-N 437.927 5.281 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 608914843 BRZAUZMACVDNSY-PMACEKPBSA-N 432.568 5.119 30 20 IKED CC[C@H](C)[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1nc2ccccc2[nH]1 609058073 UITJZAZABKSIEI-HJPURHCSSA-N 428.492 5.124 30 20 IKED C[C@H](Sc1ccc(Br)cc1)C(=O)Nc1cc(C#N)ccc1OC(F)F 609066562 FHVZPMDSZHWKMK-JTQLQIEISA-N 427.270 5.041 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 609078806 PHJRUEJUHHEJNG-KRWDZBQOSA-N 430.464 5.237 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@H](Cc4ccccc4)C3)s2)cc1 609281630 JLUANTUXLNOCOW-HXUWFJFHSA-N 449.605 5.189 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1)Cc1ccccc1F 609398245 JXRIWZFQLCWGFK-IBGZPJMESA-N 433.552 6.312 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2SC[C@@H](C)C#N)c(OC)c1 609403163 XYMYJXRAFZPUHY-JXFKEZNVSA-N 425.554 5.325 30 20 IKED N#CCCN(C(=O)CCC(=O)N1CC=C(c2cccc3ccccc23)CC1)c1ccccc1 609420979 SNDDXCIXYGTHCP-UHFFFAOYSA-N 437.543 5.183 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 609434936 DDZGFPDTZIXBKL-JKSUJKDBSA-N 430.524 5.007 30 20 IKED CN(C)c1cccc([C@@H]2CCCN2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 609811134 PLKZXSGQKPKKNZ-VWLOTQADSA-N 426.520 5.786 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1 610171731 DRUJNIGZJHEXKS-UHFFFAOYSA-N 448.910 5.636 30 20 IKED C[C@@H]1CCCCN1CCC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 610791875 WIPGSHKIVSIKNM-HXUWFJFHSA-N 447.583 5.254 30 20 IKED COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2ccc(C3(C#N)CC3)cc2)cc1 611469914 FHMCZGKDWQGPDY-UHFFFAOYSA-N 426.516 5.102 30 20 IKED COc1ccccc1[C@H]1CCCCN1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 611842013 HOEMMMYFEIUNPM-HXUWFJFHSA-N 435.915 5.165 30 20 IKED C[C@@H](NC(=O)N1CCCO[C@@H](c2ccccc2)C1)c1ccc(-c2cccc(C#N)c2)cc1 611854314 OIJIVHRUWNAVLN-FQRUVTKNSA-N 425.532 5.459 30 20 IKED Cc1nc(-c2ncccn2)sc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 614387852 PQUGYCKMQDDTSA-LLVKDONJSA-N 445.451 5.027 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 615497988 RLIYCVARSXVFBU-WOJBJXKFSA-N 435.568 5.033 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1[nH]c2ccc(F)cc2c1Cl 615706657 HJRXUORVUKTJHU-YUMQZZPRSA-N 430.751 5.600 30 20 IKED CC(C)N(Cc1ccc(NC(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1)C[C@H]1CCCCO1 618765572 KRAKKSGGMFWROS-RSXGOPAZSA-N 446.595 5.147 30 20 IKED N#Cc1ccc(CNC(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1Cl 619826095 HDOKJNPDLIPION-NRFANRHFSA-N 437.906 5.178 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccccc1SCC(F)(F)F 672623654 VDOVKORNADFMQL-UHFFFAOYSA-N 426.508 5.729 30 20 IKED COc1cc(CNc2ccc(C(F)(F)C(F)(F)F)cc2)cc(OC)c1OCC(F)F 673606107 CQXRNWNGEJLBCG-UHFFFAOYSA-N 441.343 5.614 30 20 IKED C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 679502119 XZASHUVYFUXEHW-WQAKAFBOSA-N 436.318 5.019 30 20 IKED N#Cc1ccc(NC(=S)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)cc1Cl 728226850 LWBAQFDKABOVNJ-UHFFFAOYSA-N 427.957 5.472 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 728871564 YAVXHRTUFYMUNP-UHFFFAOYSA-N 444.585 5.540 30 20 IKED COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 729038806 AAKWULMXIQHSJA-QGZVFWFLSA-N 431.492 5.043 30 20 IKED COc1cccc([C@H](C#N)NC(=O)c2cc(-c3ccccc3)nc3cc(F)ccc23)c1OC 729432443 HVZRTYLTWZRFJB-QHCPKHFHSA-N 441.462 5.053 30 20 IKED N#C[C@@H](C(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1)c1ccc2ccccc2n1 730071537 PCIXLFUQJDTPDC-CLOONOSVSA-N 430.479 6.223 30 20 IKED Cn1c(CNC(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2cc(F)ccc21 732109048 IHAPYCAQILIDDQ-DJWKRKHSSA-N 445.338 5.080 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 732919748 VJHGRURRVFODLM-SFHVURJKSA-N 449.551 5.353 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2ccccc2CCc2ccccc2)ccc1OC 733232141 NVRXJYGNUUBKIJ-HSZRJFAPSA-N 428.532 5.091 30 20 IKED COC(=O)N(C)Cc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 735367442 SIKFIZWDCMFDJA-UHFFFAOYSA-N 430.464 5.193 30 20 IKED CC(C)(Sc1ccc(Br)cc1)C(=O)Nc1cccc(OCCCC#N)c1 736004674 NUTPKDKUWIYSAE-UHFFFAOYSA-N 433.371 5.641 30 20 IKED O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(S(=O)(=O)CC(F)F)cc1 741852400 NGOIKSYLBMZHTM-YRNVUSSQSA-N 436.863 5.535 30 20 IKED COc1ccc(NC(=S)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1Cl 743036597 NWSADKVAASEGNZ-UHFFFAOYSA-N 427.888 5.961 30 20 IKED N#C[C@H](C(=O)CCCOc1cccc(Cl)c1Cl)C(=O)Nc1ccccc1Cl 743449599 SJNNLCXFEQAMTA-GFCCVEGCSA-N 425.699 5.153 30 20 IKED CCn1nc(C)c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1Cl 744035154 KTBWLCMJSXWXHF-LBPRGKRZSA-N 439.755 5.785 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3C[C@H](O)c3ccc(F)cc3)cc2)cc1 746256818 UUAUKHGVDGTHPI-OZXSUGGESA-N 444.506 5.412 30 20 IKED O=C(/C=C/c1ccc(Br)s1)c1ccc(S(=O)(=O)C2CCCC2)cc1 749005288 JTJZXEWXOJUZSN-YRNVUSSQSA-N 425.369 5.123 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C[C@H](O)c1ccc(F)cc1)C1CC1 750592658 NJRNWHTUHYOATP-VWLOTQADSA-N 445.494 5.528 30 20 IKED Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(C)(C)C 751016372 IBRKCYBYHYRTAD-LOSJGSFVSA-N 439.559 5.493 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCCCC[C@@H]2C[C@H](O)c2ccco2)c1 752106756 NKMLFERWSBZGIZ-RPWUZVMVSA-N 444.531 5.239 30 20 IKED C#CC[C@H](NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1)c1ccccc1 757770811 BXWSVIUZBOPCIK-GOTSBHOMSA-N 427.548 6.076 30 20 IKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C2CC(F)(F)C2)c1 757898549 PLMZNAXDWRFQBE-IBGZPJMESA-N 443.519 5.007 30 20 IKED Cc1c(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cnc(Cl)c1Br 760056290 ONUAYOLNQXGXNT-GDBMZVCRSA-N 433.737 5.110 30 20 IKED COc1ccccc1Oc1ccc(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc1F 761841241 DQCACXQEXXBYBJ-DEOSSOPVSA-N 447.466 5.104 30 20 IKED CC(C)(C)c1nn(Cc2ccccc2)cc1/C=C\C(=O)c1cccc(N2CCOC2=O)c1 763289179 FPKGVGPQUXYRBY-SEYXRHQNSA-N 429.520 5.082 30 20 IKED CCS(=O)(=O)c1ccc2oc(/C(Cl)=C\c3cccc(OCCCC#N)c3)nc2c1 764437175 IAZSZRPKMRKVEF-QGOAFFKASA-N 430.913 5.041 30 20 IKED Cn1ccnc1C(=O)[C@H](C#N)C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1 770869532 YYSRAEZVWRFDOR-MRXNPFEDSA-N 444.343 5.225 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3C[C@H](O)c3ccc(F)cc3)cc2)cc1 773265162 LDWLENZBUITQNL-DHLKQENFSA-N 445.494 5.610 30 20 IKED CN(C[C@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1)C(=O)OC(C)(C)C 778244211 GLIZBWLFNBSUDA-LJQANCHMSA-N 449.551 5.070 30 20 IKED COc1ccc(SCCCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 781463098 YNKQWHUQXJNQJH-MRXNPFEDSA-N 444.528 5.846 30 20 IKED C=CCN(C(=O)c1cccc([N+](=O)[O-])c1Br)c1nc(-c2ccccc2)cs1 782117842 QNMDYVKODZNPPV-UHFFFAOYSA-N 444.310 5.314 30 20 IKED CC(C)(C)N1CC[C@H](NC(=O)c2ccccc2SCC#N)[C@H]1c1ccc(Cl)c(F)c1 782753913 PGCYVFZRIGIZBK-PZJWPPBQSA-N 445.991 5.439 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(C(C)=O)cc3)cc2)cc1 783352909 MEMPGOOFNRWWSV-XMMPIXPASA-N 426.472 5.205 30 20 IKED CCCc1c(NC(=O)Nc2ccc(N3CCCC3)c(F)c2)cnn1-c1cccc(C#N)c1 784425759 OTUKCOLQBQGSIK-UHFFFAOYSA-N 432.503 5.080 30 20 IKED Cc1cc2c(Br)ccc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)c2o1 785880414 JBZVUYPSBWISAL-SFHVURJKSA-N 447.288 5.618 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N[C@H](C#N)c1cccc(Br)c1 793315759 YESMNWHTYLFRRB-GOSISDBHSA-N 444.329 5.099 30 20 IKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(CC)C1=O 799219015 JUBQHOZZJWYMLI-IBGZPJMESA-N 445.972 5.109 30 20 IKED Cc1cc(=O)oc2cc(N(C)C(=O)c3ccccc3Sc3ccccc3C#N)ccc12 805349287 KKVBBUQNLWNJAI-UHFFFAOYSA-N 426.497 5.401 30 20 IKED C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccs1 812356033 MALBINZURRPJJQ-UHFFFAOYSA-N 446.967 5.168 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ccccc2Br)cs1 812461959 GENLUPICVYNMEK-UHFFFAOYSA-N 449.761 5.690 30 20 IKED COc1ccccc1-c1nnc(S)n1N=Cc1c(-c2ccccc2)n(C)c2ccccc12 916584169 ZAHRAZBDANHQGI-UHFFFAOYSA-N 439.544 5.283 30 20 IKED N#C[C@H](C(=O)/C=C/c1nc2ccccc2s1)C(=O)Nc1ccccc1Oc1ccccc1 916907183 WUPOJEDUXLMVMS-LGHUBQEGSA-N 439.496 5.449 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(O[C@H](C)c2ccccc2)nc1 916907710 ZYRZMPONYVNAIJ-JPYJTQIMSA-N 441.531 5.308 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(F)c(Br)c3)n2)cc1 917427811 MCBZHBVKIGRLHN-OAHLLOKOSA-N 429.314 5.439 30 20 IKED N#C[C@H](C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)c1nnc2n1CCCCC2 917505127 JWLLCIUSVINYBE-OAQYLSRUSA-N 441.510 5.101 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cs1 917562212 VYTBGPJCGLJIPL-UITAMQMPSA-N 445.859 5.425 30 20 IKED C#CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc2ccccc2c1 917699649 AEGOHUQUIFZKHJ-QHCPKHFHSA-N 441.556 5.050 30 20 IKED Cc1ccc(C(=O)N(C)c2ccc(OC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)cc2)cc1 918491507 AZYMJZZXTBXFFV-VWLOTQADSA-N 442.515 5.152 30 20 IKED O=C(O)COc1cccc(C(=O)/C=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 918714045 XMWFSVKTPOVKIC-HJWRWDBZSA-N 433.407 5.188 30 20 IKED C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(C(F)(F)F)cc1 920108857 BAMYQEDJWPANDG-NHYWBVRUSA-N 443.252 5.853 30 20 IKED N#C[C@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)c1nc2ccccc2o1 920112564 AGZICPRBXLISCJ-HXUWFJFHSA-N 441.437 6.063 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3ccc4ccccc4c3)n2)cc1 920140784 BMPKFRCFLBVNNL-NRFANRHFSA-N 430.554 5.940 30 20 IKED COc1ccccc1-c1ccc(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)c(O)n1 1527165263 SCOSETZIAJUCGE-ZIAGYGMSSA-N 433.533 5.334 30 20 IKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccsc4)CCC3)cc2)cc1 1785880637 MBPGCFOHDIKMPV-IZZDOVSWSA-N 441.556 5.010 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ccncc45)CCC3)cc2)c1 1790258638 GTIYXCZLRLWVOU-UHFFFAOYSA-N 446.510 5.168 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)COc3ccccc3F)cc2)CCC1 1791368004 NNOYVPFDDOAOFJ-NRFANRHFSA-N 436.527 5.107 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c(C)c1Cl 1803534479 JECMORHFZREHJO-XMTFNYHQSA-N 435.395 5.322 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C)c(C)c2)[C@@H]1c1cccnc1 1811873071 XILRSXHFRQHAMT-RPWUZVMVSA-N 433.596 5.010 30 20 IKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1 1812808284 WTOUOEQZYIUNFW-JYFHCDHNSA-N 439.644 5.278 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)c2ccc(Cl)cc2)n[nH]1 1814660356 KHEJONDOCVJUPW-YRNRMSPPSA-N 428.964 5.071 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2F)[nH]n1 1819307844 OQKHKSOBLYARQI-VGOFRKELSA-N 449.530 5.104 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccccc2)[nH]n1 1819556655 JRSBUKVAFZFKIO-ONTIZHBOSA-N 434.584 5.198 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(C)C)cc2)n[nH]1 1820592952 YFWLBULNSPXYSZ-LJQANCHMSA-N 430.499 5.050 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc[nH]c4cc3Cl)CC2)C1 1823699916 BFOWNZFTXZLKOF-HSZRJFAPSA-N 439.987 5.021 30 20 IKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1Cl 1823907926 LMJXBMXHPWDZGG-DEOSSOPVSA-N 449.982 5.067 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2c(F)cccc2F)CC1 1829068623 IEIWXAHUIXCWAX-QHCPKHFHSA-N 446.582 5.119 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)c(F)c2)CC1 1830097007 BPWGWUFDQUPXHE-JOCHJYFZSA-N 432.555 5.191 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(CCCCC)s2)CC1 1831141463 PTSPESVRTRWWON-PZJWPPBQSA-N 445.673 5.321 30 20 IKED C[C@@H](Sc1ccc(C(F)(F)F)cn1)C(=O)Nc1sc2c(c1C#N)CCCCC2 10535963 WOWPOFZPEAABJX-LLVKDONJSA-N 425.501 5.422 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)=C(/S)Nc1cccc(C)c1 11268853 PCYAPMBEJJSSBB-UHFFFAOYSA-O 434.585 5.043 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 14070350 GIVCZUYHNRCXGD-AWEZNQCLSA-N 447.391 5.407 30 20 IKED CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(-c2ccccc2C#N)cc1 14855766 IYEOZUOVAWUZSC-UHFFFAOYSA-N 437.465 5.705 30 20 IKED C=CCNc1nnc(S[C@H](C(=O)Nc2ccccc2OCC)c2ccccc2)s1 15128639 HZFSLZLXEDZJIV-SFHVURJKSA-N 426.567 5.007 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2Br)o1)c1nc2ccccc2o1 195652883 GSSYUZKNZDTLTF-AWEZNQCLSA-N 436.265 5.054 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc2c(F)cc(Br)cc2[nH]1 303310129 FKOZAMDIPJFTDL-LLVKDONJSA-N 432.318 5.716 30 20 IKED C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)c1ccc(C#N)cc1 303740026 YUDHNRQXXQHPFU-LPHOPBHVSA-N 429.549 5.330 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)c1ccn(-c2cccc(C#N)c2)n1 409828840 OHHVWJKOKDFTMD-QGZVFWFLSA-N 427.533 5.009 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1-c1ccccc1 428914162 DENIBVTUIRICOA-UHFFFAOYSA-N 433.471 5.380 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])c2)cc1 430925544 DIRUDAMPKDQLAV-UHFFFAOYSA-N 438.237 5.274 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccccc1 432765395 BWXFBNGUYCEZSL-WOJBJXKFSA-N 427.932 5.454 30 20 IKED CCCN(CCC)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 437765157 ZNFGHZBIHZLHBG-DNQXCXABSA-N 432.568 5.252 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H](Cc2ccc(F)cc2)C(C)C)cc1 437840949 JJPFAEHYTHXRNQ-XMMPIXPASA-N 437.559 5.371 30 20 IKED C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1nc(C2CCCCC2)no1 438031139 YTYVIDXWLMCRNK-MRXNPFEDSA-N 431.496 5.664 30 20 IKED O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 438474383 HUEDZPRDSDNTMP-NEPJUHHUSA-N 437.359 5.129 30 20 IKED COc1cccc([C@@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)c2cc(F)ccc2OC)c1 438851152 JQHUYVIPWRUTKO-UKILVPOCSA-N 447.510 5.277 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)Nc3cccc4ccccc34)cc2F)c1 439313263 HGWYKVJZVWZJPI-UHFFFAOYSA-N 439.446 5.007 30 20 IKED Cc1ccc(C(=O)N[C@H](CC(=O)N[C@@H](CCC#N)c2ccccc2)c2ccccc2)cc1 439648511 AQENKFWIYXPGBD-LOSJGSFVSA-N 425.532 5.018 30 20 IKED CCCc1c(NC(=O)N[C@H](c2ccccc2)c2ccccn2)cnn1-c1cccc(C#N)c1 439667855 ZQBQUSKRAAKPKL-RUZDIDTESA-N 436.519 5.003 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(F)c(F)cc1Br 440785921 LWRVXDHPPGJMQU-UHFFFAOYSA-N 443.247 5.952 30 20 IKED N#CC(CCN1CCC(n2cc(Br)cn2)CC1)(c1ccccc1)c1ccccc1 444626428 UCEINIBQPFBFEC-UHFFFAOYSA-N 449.396 5.182 30 20 IKED COc1cc(C)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1OC 445794507 PBSMVXHDNNLCMK-UHFFFAOYSA-N 436.895 5.369 30 20 IKED N#Cc1cc(N2C(=O)N[C@@H](c3ccsc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1 445924969 KLSIMIFLJBWZPN-SFHVURJKSA-N 443.406 5.228 30 20 IKED N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@@H](c2ccccc2)c2cccc3ccccc23)c1 447151505 WXGTVXYDZAOKKJ-DEOSSOPVSA-N 439.902 5.209 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C)n(Cc4ccncc4)c3C)n2)cc1 460376528 UKDGEYRGSCLWCC-QFIPXVFZSA-N 426.545 5.470 30 20 IKED Cc1ccc([C@@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)cc1 461670039 YVKKVELKOUMLBK-RPWUZVMVSA-N 427.552 5.036 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N(C)S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 462485851 FMRUJAIQSJCLBY-INIZCTEOSA-N 440.952 5.269 30 20 IKED N#Cc1ccc(F)c(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1 464056829 YMIGFTBCYOFFSF-UHFFFAOYSA-N 444.897 5.062 30 20 IKED CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2ccccc21 469821896 WDNAKGZPCTZOFI-RDPSFJRHSA-N 429.564 5.525 30 20 IKED C=CCN(C(=O)c1ccc2nc(C(F)(F)F)cn2c1)c1nc(-c2ccccc2)cs1 471347140 AEENQXQAPLLYPM-UHFFFAOYSA-N 428.439 5.309 30 20 IKED COCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(Cl)c1 473491537 VZFKXZUXXYCTQV-QGZVFWFLSA-N 447.343 5.632 30 20 IKED N#CC[C@@H](CC(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1)c1ccccc1 474913516 YEULHUZQOARRLF-UPVQGACJSA-N 429.589 5.051 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2ccc(OC)c(OC)c2)nnc1-c1ccc(Cl)cc1 477051405 ZWCKBEUEINJGIR-CQSZACIVSA-N 443.956 5.165 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[C@]3(C2)OCc2ccccc23)cc1 478325800 XOTDUKFIXGVORX-AREMUKBSSA-N 428.463 5.151 30 20 IKED Cc1ccc(-c2ccc(C(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)c(F)c2)cc1 479271337 FPCAUDIYPAGAJU-UHFFFAOYSA-N 427.523 5.089 30 20 IKED Cc1ccccc1-n1ncc(C(=O)NCc2ccc(F)cc2C(F)(F)F)c1C(F)(F)F 479590399 CGILIPASJHQPIH-UHFFFAOYSA-N 445.338 5.287 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCCC[C@@H]3c3nc4ccccc4o3)cc2)c1 480576158 GENVMIBLJRRUIC-HSZRJFAPSA-N 438.487 6.251 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)NCCc2nc3ccccc3n2C(F)F)cc1 480889072 JZKWSERBSNFBAO-UHFFFAOYSA-N 448.498 5.427 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@@H](C)c2ccc(SCC)cc2)nnc1-c1ccco1 481442473 XIXFFRHVFYPMNA-INIZCTEOSA-N 442.610 5.196 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(-c3cncnc3)cc2F)cc1 481515672 BKCNDGSOFGGDQR-UHFFFAOYSA-N 438.462 5.180 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(-c2cncnc2)cc1F 481873188 YLFFKWJXXPQGIY-UHFFFAOYSA-N 444.279 5.013 30 20 IKED CCc1onc(-c2ccc(Br)cc2)c1C(=O)[C@H](C#N)c1cnc2ccccc2n1 483987268 OLRIYBRPUHIEFN-OAHLLOKOSA-N 447.292 5.100 30 20 IKED Cn1c(Cc2cccs2)nc2cc(C(=O)N[C@H](CCCC#N)c3ccccc3)ccc21 487622818 ZGNYDMDMYGZLHM-OAQYLSRUSA-N 428.561 5.391 30 20 IKED COCCN(Cc1scnc1C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 488380620 QCEXBKAWWHZSNB-UHFFFAOYSA-N 436.537 5.104 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCc4sccc4C3)s2)c(C(F)(F)F)c1 496338039 CWQZYOIMJHPPRO-UHFFFAOYSA-N 448.495 5.276 30 20 IKED C=CCN(CCc1ccco1)C(=O)N[C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 497631441 IFELGQDIPMYEQI-OAQYLSRUSA-N 437.565 5.229 30 20 IKED CC(=O)Nc1ccc(-c2noc(C(F)(F)c3c(F)cccc3F)n2)cc1C(F)(F)F 499604444 WQJUBRMTZJYNQF-UHFFFAOYSA-N 433.283 5.132 30 20 IKED C[C@H](Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)C(=O)Nc1ccccc1C#N 500275235 DGGXASDTWARNJC-ZDUSSCGKSA-N 444.388 5.343 30 20 IKED CN(CCCNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C1CCCCC1 501575223 LFUHJVFSTBQYBN-UHFFFAOYSA-N 434.584 5.108 30 20 IKED COCCOc1cccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 502519756 SRUWLMSEZJLJPL-UHFFFAOYSA-N 431.492 5.115 30 20 IKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1 505831350 HNAWCTDEHOQNCW-IBGZPJMESA-N 426.442 5.183 30 20 IKED N#C[C@H]1N(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CCC[C@]12CCCCO2 505836854 DXSOMGKDOQCHPE-DENIHFKCSA-N 448.350 5.035 30 20 IKED N#C[C@@H](NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)c1cccc(Br)c1 506537561 KPMJMBMIHMFDDV-UEWUEVEISA-N 441.291 5.279 30 20 IKED Cn1c(-c2cc(-c3ccccc3Cl)nc3ccccc23)nnc1N1CCC(C#N)CC1 508081015 OYFGCAZNZJFXFU-UHFFFAOYSA-N 428.927 5.091 30 20 IKED C=C(C)COc1cc(CNC2CCN(Cc3coc(-c4ccccc4)n3)CC2)ccc1OC 508094550 MIKIZBPJXLDFEV-UHFFFAOYSA-N 447.579 5.059 30 20 IKED Cc1cccc(C)c1OC[C@H](C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 510843790 XALGXMDDYJSSEH-NRFANRHFSA-N 443.547 5.538 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1 511385754 VIQANNJNFCBKGF-RUZDIDTESA-N 445.950 6.354 30 20 IKED Cc1noc(C)c1CSc1ccccc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 513158478 BPJJWECZNIAAQU-INIZCTEOSA-N 431.439 5.488 30 20 IKED Cc1c(NC(=O)c2cccc(COc3ccccc3C#N)c2)cccc1OCC(F)(F)F 513259939 FAORTYNLSQFVBC-UHFFFAOYSA-N 440.421 5.639 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)NC1CCN(c2nc3ccccc3s2)CC1 513475141 HJLKQOVWYQRTLO-UHFFFAOYSA-N 438.556 5.234 30 20 IKED Cc1cc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(C)s1 516306499 OTSMJECGAMXATQ-INIZCTEOSA-N 433.533 5.153 30 20 IKED Cc1ccc(C(=O)c2c(NC(=O)c3cc(C#N)ccc3Cl)sc3c2CCN(C)C3)cc1 516809351 XABZMDAMZBXELO-UHFFFAOYSA-N 449.963 5.053 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 517460628 MTSRNDUSDBELTK-CQSZACIVSA-N 437.487 5.549 30 20 IKED Cc1nc(SCC(=O)N2CCC[C@H]2c2cccc(Br)c2)c(C#N)c(C)c1C 518289732 CSCAVNUHXNQQEF-IBGZPJMESA-N 444.398 5.097 30 20 IKED Cc1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(OCc2ccccc2)c1 520584603 DPZBWNVXSRZFPG-UHFFFAOYSA-N 441.531 5.521 30 20 IKED C=CCn1c(SCc2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccc(OC)cc1 520725604 PXZBHDGLAKAHHA-UHFFFAOYSA-N 439.928 5.135 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCO[C@@H](c3ccccc3F)C2)cc1 524053855 VNHNHGARGLDXAZ-HSZRJFAPSA-N 432.520 5.203 30 20 IKED CC(C)NC(=O)Nc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 524498875 HKMPYENZZQWLPV-UHFFFAOYSA-N 446.482 5.059 30 20 IKED COc1cc(CN(C)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c(SC)cc1OC 525516589 YNQFBOJBHBEAPE-HNNXBMFYSA-N 445.610 5.341 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc(OCc4ccccn4)c3)cc2)cc1 525687503 OSRHIDLERNADDU-UHFFFAOYSA-N 435.483 5.771 30 20 IKED C[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc([S@](C)=O)cc1 533749480 NCFBBNXLNRQWBI-FOGNVHKLSA-N 438.936 5.232 30 20 IKED Cc1ccc(C(=O)CCC(=O)CCC(=O)NCc2ccc(-c3ccccc3C#N)cc2)s1 537998118 NJBZGRFMKOGCJG-UHFFFAOYSA-N 444.556 5.224 30 20 IKED Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)nn1-c1ccc(F)cc1 538523525 CHSWSHZRHKTTQE-UHFFFAOYSA-N 448.445 5.597 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 539212243 VHSFRLRLLPEFCW-UHFFFAOYSA-N 426.476 5.008 30 20 IKED C[C@H](NC(=O)CCc1nc(-c2cccs2)no1)c1ccc(-c2cccc(C#N)c2)cc1 543033358 TVXONKZBWZWMQC-INIZCTEOSA-N 428.517 5.147 30 20 IKED COc1ccc2oc([C@H](C)NCC(=O)Nc3ccccc3SC[C@@H](C)C#N)c(C)c2c1 544482195 NEJYDNNRUMWKHA-RDJZCZTQSA-N 437.565 5.291 30 20 IKED COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 544732769 BEOKPGHDCWHXQW-KRWDZBQOSA-N 430.529 5.313 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC(OC(C)(C)C)CC1 549691535 IRCBKIOEDIMWNG-IBGZPJMESA-N 442.604 5.177 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N(CCc3ccccc3)Cc3cccnc3)c2)cc1 552279984 NPBFMSGDYOTYSZ-UHFFFAOYSA-N 448.526 6.022 30 20 IKED C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(Cc1ccccc1)c1ccccc1C#N 552649688 LXVFURHRHDITPK-INIZCTEOSA-N 435.867 5.121 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2ccc(-c3nc4ccccc4s3)cn2)c1 554210248 DFZUTWFIWRVGQV-UHFFFAOYSA-N 428.517 5.418 30 20 IKED C[C@@H](N[C@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C)c1ccc(C#N)cc1Cl 555232766 MBWYLNXAXIYGJR-HEYPFXNGSA-N 428.407 6.130 30 20 IKED C=C[C@@H](CC(=O)N(c1ccc(OC)cc1)c1nc(C(=O)OCC)cs1)c1ccccc1 556209027 RLYNEAYLKRAXPX-KRWDZBQOSA-N 436.533 5.353 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@@H](c2ccccc2)c2ccc3ccccc3c2)CC1 558656589 KNBKMOFZVQFVCQ-MHZLTWQESA-N 446.554 5.591 30 20 IKED N#CCCC[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1OCC1CCC1)c1ccccc1 560282538 GAYCQYDDLWROFA-HXUWFJFHSA-N 439.943 5.009 30 20 IKED Cc1[nH]c2ccccc2c1C1CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 561170789 QUNWYATYBYJIES-SFHVURJKSA-N 446.620 5.689 30 20 IKED C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 566381249 DLLJZVIJQDYWJZ-FXAWDEMLSA-N 439.962 5.362 30 20 IKED C[C@H](NC(=O)N1CCC(Oc2ncccc2F)CC1)c1ccc(-c2cccc(C#N)c2)cc1 569092509 OMQDADSXCYHXPD-SFHVURJKSA-N 444.510 5.073 30 20 IKED Cc1cccc(CN(Cc2ccco2)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1 574490099 JVJJTJNVDDJKJG-UHFFFAOYSA-N 438.487 5.881 30 20 IKED CCOc1cc(C#N)ccc1OCc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1 603947407 CYSCMYOWOJLXHJ-UHFFFAOYSA-N 427.913 5.330 30 20 IKED COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 603961505 ZDMYCKFXHYIYRG-KRWDZBQOSA-N 446.528 5.043 30 20 IKED N#Cc1cccc(NC(=O)CSCc2csc(COc3ccc(Cl)cc3)n2)c1 604063626 ZDKYEHHVJWAZPT-UHFFFAOYSA-N 429.954 5.119 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCO[C@H](C)c1ccccc1 609078283 HZTMHAVGUZUZDR-OAQYLSRUSA-N 443.547 5.735 30 20 IKED CC(C)NC(=O)Nc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 609163846 AVYSXUUCHBMZJR-QFIPXVFZSA-N 446.938 5.778 30 20 IKED CC(C)n1ncc2c(C(=O)N[C@H](C#N)c3ccc(Cl)cc3)cc(-c3cccs3)nc21 609286952 AZFJARYIHGATDR-LJQANCHMSA-N 435.940 5.389 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 609377361 VNHMMNXQYXTKHC-WAIKUNEKSA-N 438.499 5.975 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 609431726 HISXGPXNJXHUKJ-WAIKUNEKSA-N 439.581 5.599 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)NC[C@@H]3CCN(c4ccc(Cl)cc4)C3)c2)cc1 609661106 TZKPVOCPZRSXLI-NRFANRHFSA-N 445.950 5.047 30 20 IKED CN(C(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@H]1CCCN(c2ccccc2)C1 609665739 URFWNPCIAKBXKP-DEOSSOPVSA-N 441.600 5.592 30 20 IKED CN1C(=O)CCc2cc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)ccc21 609723902 LLUNHGWWLJHVLR-UHFFFAOYSA-N 431.879 5.165 30 20 IKED CCc1cc(C#N)c(NC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)s1 609754409 USGBTVJYWCWZHK-UHFFFAOYSA-N 427.576 5.227 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CC[C@H](Cc4ccc(F)cc4)C3)c2)c1 609927675 BNQRUFHHCGKTPV-HXUWFJFHSA-N 442.494 5.046 30 20 IKED CCOC1CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CC1 610331712 JUPWPUNQRRLTMJ-UHFFFAOYSA-N 433.430 5.402 30 20 IKED C[C@@H](NC(=O)N(C)[C@H]1CCSc2ccc(Br)cc21)c1cccc(C#N)c1 610408051 FTMUZIYMLBMTHY-ACJLOTCBSA-N 430.371 5.260 30 20 IKED CCn1c(SCc2ccnc(C#N)c2)nnc1-c1cc(-c2ccccc2)nc2ccccc12 610955619 HPUPYVSRCHWEQU-UHFFFAOYSA-N 448.555 5.739 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2ccc3ccccc3n2)n(Cc2ccc(F)cc2)c1C 610968461 YFLXCCRAAITHIF-UHFFFAOYSA-N 444.535 5.443 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C(=O)NCc2ccccc2)c2ccccc2)n1 611198676 CLEZXEFGHUHWLT-FQEVSTJZSA-N 441.478 5.430 30 20 IKED N#C[C@@H](C(=O)c1ccc(OCC(F)(F)F)nc1)c1nc(-c2ccc(Cl)cc2)cs1 613319499 FZJWRFGOCRSDSN-AWEZNQCLSA-N 437.830 5.290 30 20 IKED C[C@H](NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1cccc(C#N)c1 615767039 QMOYLVWLBSNTOR-ZDUSSCGKSA-N 429.307 5.115 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2cccc(F)c2)CCCCC1 619556571 UKJMCRUSYNUVIS-HUUCEWRRSA-N 439.415 6.053 30 20 IKED COc1ccc([C@H](NCc2ccc(C#N)c(Cl)c2)c2ccccc2Cl)cc1OC 619754702 IPNYKFVVOOCMCR-QHCPKHFHSA-N 427.331 5.761 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ccccc2F)n1)c1nc2cc(C(F)(F)F)ccc2s1 620304174 GJGIOTHJKVAQFI-GFCCVEGCSA-N 447.438 6.068 30 20 IKED Cc1ccc(C(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c(F)c1 622517203 CTEYTVSQIWJZGI-QGZVFWFLSA-N 435.339 5.385 30 20 IKED N#C[C@H](C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2n1C(F)F 642282478 VEUDIHIXOFIOFM-GFCCVEGCSA-N 447.285 5.959 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3C(=O)c3cccs3)cn2)c1 642322413 SZWGLVKNMIETAQ-UHFFFAOYSA-N 425.469 5.290 30 20 IKED O=C(Nc1ccccc1OC(F)(F)F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642468125 WQLAUKDSNCZRJB-IUCAKERBSA-N 438.290 5.616 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccc(F)cc1 669910171 JDWPIMGMJIVDMI-KRWDZBQOSA-N 438.572 5.821 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ncccc2Cl)c1C(F)F)c1nc2cc(F)ccc2s1 677564313 GJSNVGVGROUSGN-SNVBAGLBSA-N 447.829 5.097 30 20 IKED C[C@@H](NC(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1nc(C(F)(F)F)cs1 683786863 VUONCXWJDSCKHF-SSDOTTSWSA-N 433.324 5.699 30 20 IKED Cc1cc(C(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c(C)n1-c1ccc(C#N)cc1 728274062 SVTWVIXAFFZCDD-JYFHCDHNSA-N 427.548 5.206 30 20 IKED CC1CCN(C[C@@H]2CCCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)C2)CC1 728688200 VHKPACZYZGDIQC-NVQXNPDNSA-N 430.596 5.318 30 20 IKED N#C[C@@H](C(=O)Cc1cccc(OCc2cccc(Cl)c2)c1)c1ccc2ccccc2n1 730394197 GHBWWTSDPNSGHB-HSZRJFAPSA-N 426.903 5.886 30 20 IKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 730417738 QLNWIVQUYWMZNX-SFHVURJKSA-N 443.507 5.057 30 20 IKED Cc1ccc(OCc2nc(CC(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)cs2)cc1 730418203 SPCLEUAEFVVIDO-QGZVFWFLSA-N 437.521 5.198 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 732377572 RBBGHXZDVKJFQO-GOSISDBHSA-N 444.487 5.128 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OC 733614816 CPVFVKOUPQPOFT-CQSZACIVSA-N 441.837 5.370 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)c1sc(COc2ccc(Cl)cc2)nc1C 741635910 XJZUAFWEOYQZAQ-UHFFFAOYSA-N 430.888 5.087 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1NC(=O)OC(C)(C)C 742653567 MFBULJUQQKYUSA-MRXNPFEDSA-N 425.554 5.989 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=NNc1oc(C(C)(C)C)nc1C#N 746498527 SQQNYHGQKUBPBP-UHFFFAOYSA-N 431.327 5.150 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NOCc2ccc(C(F)(F)F)cc2)cs1 746577717 XZQQXUVPNXZWBP-UHFFFAOYSA-N 447.482 6.014 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 747637402 JIFGOLIXISVBKW-VWLOTQADSA-N 444.556 5.311 30 20 IKED C=CCN1C(=O)N[C@H](c2ccc(F)cc2C)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 751262347 XCZXUHNNXZRXAU-HXUWFJFHSA-N 447.432 5.318 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccc(F)cc2)C2CCOCC2)cc1 755221202 VSGJTBXQDBDUSO-AREMUKBSSA-N 443.522 5.694 30 20 IKED COc1ccc(-c2cncc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2)cc1 757876397 UZAZCYUJWYWBNH-SFHVURJKSA-N 440.286 5.025 30 20 IKED Cc1sc2ncn(N=Cc3c(Cl)cccc3N3CCCC3)c(=O)c2c1-c1ccccc1 763345939 NHXCYRIRFMVDRI-UHFFFAOYSA-N 448.979 5.569 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 763367796 ATSIMPFFQVHXBD-QRVBRYPASA-N 445.629 5.693 30 20 IKED Cc1nc2ccc(C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)cc2s1 764088005 RXIRFAUYXDYIRP-ZUZCIYMTSA-N 432.332 5.111 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2cc3c(s2)CCC3)cs1)c1ccc(F)cc1F 764433038 PJWTVQQHSVMJBM-SOFGYWHQSA-N 430.501 5.552 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc([C@@H]2CCCOC2)c1 766622962 LRHZBHKJLDUMIG-GGAORHGYSA-N 440.499 5.334 30 20 IKED N#CCOc1ccc(CN[C@H](c2ccccc2)c2cc(Br)ccc2F)cc1 779092701 CTFMGWDJBGIZOQ-JOCHJYFZSA-N 425.301 5.370 30 20 IKED N#Cc1cccc(COc2ccc(NCc3csc(-c4ccccn4)n3)cc2Cl)c1 779595383 IOLLLOJVLDVQTK-UHFFFAOYSA-N 432.936 5.921 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(C(F)(F)F)cnc2Cl)cc1F 779639442 NZUCGXAQKTZDTQ-UHFFFAOYSA-N 435.764 5.809 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 780675742 UEXPSVOSNMMGNJ-VGOFRKELSA-N 443.482 5.029 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)Nc3ccccc3O[C@H](C)C#N)s2)cc1 780679323 ASWRYVHFIISGHE-SJLPKXTDSA-N 434.565 5.943 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccc(-c2ccc(Br)s2)s1 782581167 GQEVBKKHLGPJLO-GFCCVEGCSA-N 431.336 5.200 30 20 IKED COc1ccc(/C=C(\C)C(=O)[C@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1F 787048607 GTIYUMVSCSOPTR-WZSOIAESSA-N 449.309 5.131 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C[C@@H](C)c1c[nH]c2ccccc12 787223845 KLWZITMMYRVDMJ-DLBZAZTESA-N 435.549 5.095 30 20 IKED C=CCCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 787364242 CGRRPCNYXPAMDT-UHFFFAOYSA-N 447.771 5.096 30 20 IKED N#CCCn1cc(/C=C\C(=O)c2ccc(OCC(F)(F)F)cc2)c(-c2ccccc2)n1 788356080 QLYHDRPIPXSDHN-XFXZXTDPSA-N 425.410 5.301 30 20 IKED CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)[C@@H](C#N)c1nccc2ccccc12)OCC3 792103543 SFSKUILALROBST-QDPGVEIFSA-N 437.543 5.723 30 20 IKED CC(=NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1nc2ccccc2n1C(F)F 794979382 GEXOMEOOLKYYQW-UHFFFAOYSA-N 446.383 5.743 30 20 IKED Cc1nc([C@H]2CCCOC2)sc1C(=O)OCCC(C#N)(c1ccccc1)c1ccccc1 796214681 CIBYZGDTTOEKNP-FQEVSTJZSA-N 446.572 5.402 30 20 IKED N#CC[C@H](CC(=O)O[C@H](c1ccc(Br)cc1)C(F)(F)F)c1ccccc1 796696264 DVTGFSXAZSIMFY-CRAIPNDOSA-N 426.232 5.683 30 20 IKED N#CCOc1ccccc1-c1nc(-c2ccc(Oc3cccc(Cl)c3Cl)nc2)no1 809438168 KHFWHHPBVDQMPQ-UHFFFAOYSA-N 439.258 5.800 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CCN(c2ccccc2Cl)C1)c1nc2cc(C(F)(F)F)ccc2s1 810535684 GMAFYSYUCQIPLQ-OCCSQVGLSA-N 449.885 5.671 30 20 IKED N#C[C@H](C(=O)C1CCC(OC[C@H]2CCCO2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 815910756 GNBIUXUIMRRHNN-PEVDHWGLSA-N 444.984 5.394 30 20 IKED N#CCCC[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccccc1 817318536 CJBYIJRFUUUNCL-OAHLLOKOSA-N 436.693 5.176 30 20 IKED Cc1nn(CC(C)C)c(C)c1CC(=O)OCCC(C#N)(c1ccccc1)c1ccccc1 914887933 PEHXYEUAOMUOEM-UHFFFAOYSA-N 429.564 5.142 30 20 IKED N#C[C@H](C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1nc2ccccc2s1 915099365 SEPMXXRCEHIXKH-CTNGQTDRSA-N 425.513 5.034 30 20 IKED N#C[C@H](C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1nc2ccccc2s1 916846023 DGSDITZDVDMDHU-MRXNPFEDSA-N 439.949 5.404 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cn(Cc2ccccc2)c2ccccc12 916903395 NDCGPTUQDNADFO-DEOSSOPVSA-N 449.554 5.776 30 20 IKED CC(C)Sc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916904969 GWPQOBVFEKSYQS-OAQYLSRUSA-N 430.529 5.941 30 20 IKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCCC(C)C 916943089 SYMARKMCIPCYLY-GOSISDBHSA-N 449.334 5.388 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2cccc(F)c2)n1)c1nc2ccccc2n1C(F)F 917040533 LKBNETQGOLSQCC-OAHLLOKOSA-N 426.423 5.113 30 20 IKED C[C@@H](Sc1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042176 CXQUOVRBKOOYLR-YGRLFVJLSA-N 440.899 6.326 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccccc3N)CCC2)cc1 1789451612 OHTFXUNUUBHPEI-UUFSLDAJSA-N 429.564 5.185 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)n(C(F)F)n3)cc2)CCC1 1790132994 PSDOINNXGNURTI-IBGZPJMESA-N 442.510 5.103 30 20 IKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(C)ccc2C)cc1 1800511745 HAQBPSLZMYLORH-YGTOKIDASA-N 445.607 5.114 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc(-c3ccccc3)s2)n[nH]1 1819932263 GQGPPJOJOXPTJQ-APWZRJJASA-N 449.580 5.051 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)c2cccs2)n[nH]1 1822704402 VOWYBJWIJLZSMQ-LPHOPBHVSA-N 426.586 5.035 30 20 IKED CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)CCCCC1 1824054206 JQBDXBZRKVQBBQ-RUZDIDTESA-N 449.639 5.081 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(Cl)c2)CC1 1824143341 KTPKKUBJAJWBOH-QHCPKHFHSA-N 429.004 5.342 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSc2ccccc2)CC1 1828822584 JZINLOCILZEBKG-BJKOFHAPSA-N 440.653 5.167 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)[C@H](c1ccc(Cl)cc1)C(C)C)C2 1844200426 QWYHSPJWMLUCDW-YADHBBJMSA-N 429.004 5.051 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1F)=C(/S)Nc1ccc(C(C)C)cc1 11263878 FGMFIZHGBYDKMH-UHFFFAOYSA-O 439.551 5.989 30 20 IKED C[C@@H](OC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)N(CCC#N)c1ccc(F)cc1 22932459 GESALWVZHBAIDP-GFCCVEGCSA-N 448.878 5.325 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)[nH]c1C)=C(/S)Nc1cccc2ccccc12 23603080 HTIUEEGQUHSKFG-UHFFFAOYSA-O 428.581 5.686 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ccccc2Cl)o1)c1nc(-c2c(F)cccc2F)cs1 64714696 JMNMUSSVHDRWAT-ZDUSSCGKSA-N 440.858 6.492 30 20 IKED C=CCOc1ccccc1C(=O)Nc1cccc(N(C)C(=O)c2ccccc2OCC=C)c1 195696949 RALYROZHHVIBOS-UHFFFAOYSA-N 442.515 5.345 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 247645339 JQVPZRXJOOVSLK-UHFFFAOYSA-N 425.271 5.114 30 20 IKED N#Cc1ccc(SCC(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)cc1 303125934 AGCYLYKOXCCTJW-QFIPXVFZSA-N 437.362 5.319 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)c2cccc(COc3cccc(C#N)c3)c2)c(OC)c1 303587548 GSJLMSORYFHRGB-RUZDIDTESA-N 442.515 5.132 30 20 IKED C=C(C)CNC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 428115162 KSFQNPCQTYKGSX-UHFFFAOYSA-N 447.391 5.085 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)s1 430627670 UAMNWRJXOLLOSO-OAHLLOKOSA-N 433.562 5.240 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N(CCc3ccccn3)Cc3cccnc3)cc2)cc1 431294377 YSTHMMMIIOMSKN-UHFFFAOYSA-N 448.526 5.220 30 20 IKED COc1cccc(Oc2ccc(CNC(=O)N[C@@H](CCCC#N)c3ccccc3)cn2)c1 431826433 WXZCSAMIQCMHBN-QHCPKHFHSA-N 430.508 5.117 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1 432898006 GWQZJEBDGJYCEZ-VWLOTQADSA-N 438.531 5.888 30 20 IKED CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)c2cccs2)cc1 434667523 WDDTXZPCPVTCSG-QFIPXVFZSA-N 448.592 5.144 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)c2nc3cc(Cl)ccc3s2)cc1C 435987391 XWDWXUIFOKBCQY-UHFFFAOYSA-N 449.967 5.620 30 20 IKED CO[C@@H](C)c1nc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cs1 438629595 QTULJQNHOJGEKG-LIRRHRJNSA-N 440.956 5.481 30 20 IKED CCCc1c(NC(=O)N2CC[C@@H](CSc3ccccc3)C2)cnn1-c1cccc(C#N)c1 439682855 REPSHPMSOOURND-HXUWFJFHSA-N 445.592 5.343 30 20 IKED CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)Nc1ccc(C(C)(C)C#N)cc1 444778457 ISCZHZRNUURVSH-UHFFFAOYSA-N 436.556 5.146 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3sc(Br)cc3[N+](=O)[O-])cc2)cc1 445171486 GXOQEIIPQDLNCK-UHFFFAOYSA-N 444.266 5.335 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 460791034 IPTJOWOSUQUEIN-YKSBVNFPSA-N 432.568 5.167 30 20 IKED N#Cc1ccc(-c2nnc(N3Cc4ccccc4-c4ccccc4C3)n2C[C@H]2CCOC2)cc1 461593531 FJNPUMZITXDMOS-OAQYLSRUSA-N 447.542 5.040 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)C1(c2cccc(C#N)c2)CC1 464464760 USVXXPHINFIODH-UHFFFAOYSA-N 429.907 5.443 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)[C@@H](c1ccc(Cl)cc1)C1CCCC1 466509069 VCTQSSSKTVITHL-XMMPIXPASA-N 426.992 5.390 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(Br)c(F)cc2F)o1 467026461 ZASAFZCBNFAGGK-UHFFFAOYSA-N 433.208 5.023 30 20 IKED COCCC1(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCC1 473787786 IBYGMAARDACTSH-UHFFFAOYSA-N 427.932 5.119 30 20 IKED O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 474239537 XNZQCFPDJXHPSP-JTQLQIEISA-N 426.357 5.340 30 20 IKED COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1ccc(C(C)(C)C#N)cc1)CC2 474426624 NGPGMHSATNUWND-SANMLTNESA-N 440.543 5.293 30 20 IKED CC(C)(C#N)c1ccc(C(=O)Nc2nnc(-c3cc(Br)ccc3F)s2)cc1 475762488 UPXLKUSWAFRYSE-UHFFFAOYSA-N 445.317 5.160 30 20 IKED CC(C)(c1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1)C(F)(F)F 483455894 FBURWXWEOYNXJD-UHFFFAOYSA-N 449.448 5.613 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)Nc3nc4c(cc3C#N)CCCC4)ccc21 484150289 XTLWMCGYSPNBSL-UHFFFAOYSA-N 427.430 5.034 30 20 IKED Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)Nc1ccccc1SC[C@H](C)C#N 485524330 RXBNBTPIFMKTLY-CYBMUJFWSA-N 445.466 6.173 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc(C#N)s1 486702243 PUGBMIMYRQYEHM-UHFFFAOYSA-N 429.423 5.452 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(NC(=O)CCC)ccc1Cl 486867250 GVKJOYMRFITSLK-UHFFFAOYSA-N 430.892 5.207 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1SCc1nc(-c2ccc(Br)s2)no1 488794907 KNULXYMEJGJXMN-UHFFFAOYSA-N 447.261 5.138 30 20 IKED C=CC[C@H](C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1)c1ccccc1 489043283 OJIJJBLVSIBBRZ-SFHVURJKSA-N 440.330 5.939 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 491982041 WFILJCJITHDDFO-AWEZNQCLSA-N 437.491 5.023 30 20 IKED C[C@H](Sc1ccc(C#N)cn1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 495268037 QMWXCDVQUGNDCL-LIRRHRJNSA-N 436.924 5.058 30 20 IKED C[C@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 495476762 XPRUIBKCBXIACD-HNNXBMFYSA-N 428.517 5.212 30 20 IKED Cc1cccc([C@@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c2ccccn2)c1 498488485 IHKMMJXLWDDUHZ-HSZRJFAPSA-N 439.544 5.220 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)c2)cc1 499437432 QFIACSZKNGAWDM-OAQYLSRUSA-N 432.277 5.108 30 20 IKED C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 501476171 HGABUOOPDJREKS-BVZFJXPGSA-N 439.515 5.178 30 20 IKED CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)Nc2cccc(OCCCC#N)c2)c1 503217837 NWWCMLLJKHBAIT-UHFFFAOYSA-N 428.920 5.147 30 20 IKED N#C[C@@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1ccc(Cl)cc1 505826198 MJWPELVVABPLSS-MRXNPFEDSA-N 439.224 5.193 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NC3CCN(c4ccccc4)CC3)c2)cc1 506268485 JXHRIUYFLPIQBV-UHFFFAOYSA-N 440.547 5.122 30 20 IKED CC1(C#N)CCN(C(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)CC1 506277596 QTDFZELSEDYVHL-UHFFFAOYSA-N 430.371 5.758 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3ccccc3COc3ccccc3)CC2)c(F)c1 507747056 JYYGENXTBUGXKR-UHFFFAOYSA-N 429.495 5.131 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)c1 508839851 WTKNEVFOLGQDOX-UHFFFAOYSA-N 434.879 5.204 30 20 IKED CCN(C(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1)[C@H](C)c1ccc(C#N)cc1 509570724 JEWRCZCGLIJHDT-HXUWFJFHSA-N 446.572 5.064 30 20 IKED CN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCSc2ccc(Br)cc21 509618496 CGXZJVNMDLMKNJ-GOSISDBHSA-N 444.398 5.951 30 20 IKED CCOc1ccc(CN(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 509900471 SACSYCWFQIHBBV-UHFFFAOYSA-N 429.520 5.394 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)NCc3ccc(C(F)(F)F)cc3)s2)cc1 510242403 ZEDBFCXKUJXQSV-UHFFFAOYSA-N 449.483 5.043 30 20 IKED N#C[C@H](C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1nc2ccccc2[nH]1 513659881 HYWYHHHDAHZHPL-GOSISDBHSA-N 449.297 5.612 30 20 IKED Cc1cc(-c2cc(C(=O)[C@H](C#N)c3nc4ccccc4s3)c3c(C)noc3n2)c(C)o1 513695366 CNVVXOSHTLEEBC-INIZCTEOSA-N 428.473 5.508 30 20 IKED CC(C)c1noc2ncc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc12 516443201 RIJSGGYHEVRNKG-UHFFFAOYSA-N 428.467 5.200 30 20 IKED Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)[nH]c2c1 517658449 LIMSTPQVHDMMCF-VWLOTQADSA-N 436.515 5.707 30 20 IKED N#C[C@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc(Cl)cc2)CCC3)CCO1 517985025 DUQAAFOMMJUBRO-BXWQOUMASA-N 443.934 5.130 30 20 IKED CC(C)c1cc(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)c2cnn(C(C)C)c2n1 520341589 BNGKWFZNCIHSMG-UHFFFAOYSA-N 445.567 5.127 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 520477545 KHFRKWHBWHTAKO-UHFFFAOYSA-N 430.483 5.392 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)c2)cc1 522306581 AUKKYIVUTMGRGH-HSZRJFAPSA-N 439.540 5.724 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)c1C 523535533 XDDHTLIYROBMIJ-QZTJIDSGSA-N 425.319 5.410 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)c2)c1 523717616 JGPGAHIKDMIZDB-OAQYLSRUSA-N 436.298 5.439 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCc2cccc3cccnc23)cc1 523801349 PIVCOWNVSFCUHX-UHFFFAOYSA-N 438.506 5.200 30 20 IKED CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 524028521 UXHKYTMZBWWLOT-UPVQGACJSA-N 437.559 5.250 30 20 IKED CC(=O)Nc1cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)ccc1Cl 534874983 JCLHZTSGWBAKDV-UHFFFAOYSA-N 440.286 5.868 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccncc2)nc2ccccc12)c1nc2ccccc2n1C(F)F 536204091 NISYHCSXJBFGJQ-SFHVURJKSA-N 439.425 5.532 30 20 IKED COc1ccc(-c2csc3ncnc(NCc4ncc(-c5cccc(C#N)c5)[nH]4)c23)cc1 539247823 DREDTWVXUCOMTD-UHFFFAOYSA-N 438.516 5.241 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)cs1 539827413 ZGPRVZOKRZAUQM-GOTSBHOMSA-N 434.540 5.239 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 543494841 QZYNAVNIDIPHES-IRLDBZIGSA-N 432.520 5.499 30 20 IKED C[C@@H]1N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CCC12CCOCC2 543564938 VNAPPTPQHYLXKE-INIZCTEOSA-N 425.916 5.427 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N3Cc4ccccc4C[C@H]3c3ccccc3)n2)c(F)c1 543886498 RJKWPALEPYJPFN-DEOSSOPVSA-N 437.478 5.215 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)C2CC2)cc1 544246742 AQBRDLBNKPXMTJ-HKBQPEDESA-N 429.545 5.063 30 20 IKED C[C@H](Oc1ccccc1C#N)c1nc(-c2ccc(Br)cc2OC(F)F)no1 545854263 HIXFZJWYNAAZBR-JTQLQIEISA-N 436.212 5.112 30 20 IKED C=C(C)Cn1c(-c2sccc2C)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 549264499 DFXFLAKILFSPBM-GOSISDBHSA-N 446.523 5.070 30 20 IKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@@H]1OCCc2sccc21 554205380 RAYFJPAVYWEDMC-HJPURHCSSA-N 434.586 5.344 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N 558404778 HZICSYHJCTVQSR-JSGCOSHPSA-N 442.972 5.531 30 20 IKED Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 558819466 XDIUCDWRSJRILB-YQQQUEKLSA-N 446.938 5.288 30 20 IKED C[C@H](NC(=O)c1cc(C#N)ccc1Cl)c1nc(-c2ccc(Br)cc2)cs1 560578552 MLOWJKPKIWFICO-NSHDSACASA-N 446.757 5.589 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1)c1nc2ccccc2[nH]1 561041551 CABDJCRBXFUTPR-CQSZACIVSA-N 427.407 5.680 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 564419741 PCMCNCYHFTWHKP-HJNYFJLDSA-N 434.609 5.067 30 20 IKED N#Cc1ccc(C[C@H](C#N)c2nc(-c3ccnc(Oc4ccccc4Cl)c3)no2)cc1 564685190 ABLQUDPNBSLKST-GOSISDBHSA-N 427.851 5.299 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3Cc4ccccc4C[C@H]3c3ccccc3)cc2)ccn1 584261750 SFMRAMGWGCGSNQ-MHZLTWQESA-N 446.510 6.077 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(Cc4ccc(F)cc4)s3)n2)cc1 589244847 RSGYYLVYPFPBGP-SFHVURJKSA-N 449.532 5.495 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)CCSc3nnc(-c4ccc(F)cc4)o3)c2C#N)C1 589878626 DUKTUELWLVQDPG-LBPRGKRZSA-N 442.541 5.055 30 20 IKED CC(C)[C@@H](NC(=O)Nc1cccc(C#Cc2cccs2)c1)c1nc(-c2cccnc2)no1 591486510 GBJWWEVLBVDIBD-OAQYLSRUSA-N 443.532 5.112 30 20 IKED CCOC(=O)c1ccc(C#N)c(S[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)n1 591614082 KTYRYALQHXEOJZ-MRXNPFEDSA-N 447.516 5.042 30 20 IKED Cc1c(C(=O)N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@@H]32)sc2ccc(C#N)cc12 594641496 YNRRDGGITSHIAC-ONTLXTELSA-N 441.600 5.064 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cc2cnn(C(C)C)c2nc1C 603532283 AFRYDPUULRPHSV-UHFFFAOYSA-N 441.510 5.487 30 20 IKED CSc1ccc([N+](=O)[O-])c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 603613815 XUJDISGZEPLYEX-HNNXBMFYSA-N 429.910 5.584 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1-c1ccccc1C#N 603738453 DVBRWHXBWDTNFL-UHFFFAOYSA-N 430.467 5.845 30 20 IKED CCCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@@H](C)c1ccccc1OC 604499562 GHNGABJCRAGIAF-SFHVURJKSA-N 430.508 5.759 30 20 IKED CCN(C(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c12)[C@@H](C)c1ccc(C#N)cc1 609020466 MMXXBUYUGCRJCK-INIZCTEOSA-N 428.492 5.701 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 609056377 KMDAZCHKOKQXOR-OAHLLOKOSA-N 428.410 5.582 30 20 IKED Cc1sc(NC(=O)c2cc3ccccc3n2CC#N)nc1-c1c(F)cc(F)cc1F 609175393 ACZGOLCWMUYPGS-UHFFFAOYSA-N 426.423 5.266 30 20 IKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccccc1Cl 609387127 ONJUTRGXCJUTRP-LBPRGKRZSA-N 427.879 5.804 30 20 IKED Cc1c(Cl)cccc1NC(=O)[C@@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 609387301 WJUVKTZVENROKP-CYBMUJFWSA-N 441.906 6.112 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)N[C@H](Cc3ccccc3)c3cccs3)CC2)c1 609751499 JFVGESAERUNGKU-HSZRJFAPSA-N 431.561 5.157 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3CSc3nc[nH]n3)cc2)c1 609989687 WFBIBIZVKQLKOQ-UHFFFAOYSA-N 427.489 5.013 30 20 IKED Cc1csc(-c2cccc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c2)n1 610040760 DPMGSBVQRXUMOL-UHFFFAOYSA-N 439.540 6.016 30 20 IKED N#CCCN(C(=O)c1cc(COc2c(Cl)cccc2Cl)on1)c1ccc(F)cc1 610717005 FICMFXUKUTZEFV-UHFFFAOYSA-N 434.254 5.260 30 20 IKED N#Cc1cc(F)c(C(=O)N[C@@H](CC(F)(F)F)c2ccc(Br)cc2)c(F)c1 612504903 CFTNSXBMHOXEPT-AWEZNQCLSA-N 433.174 5.022 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1nc(-c2ccc(Cl)cc2)cs1 613319586 IETDJZITLHZVAQ-HNNXBMFYSA-N 439.327 5.997 30 20 IKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nc2cc(Cl)ccc2s1 613403700 RXBLXTYOKQTWNS-HNNXBMFYSA-N 437.933 5.754 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)nnc1-c1ccoc1C 613433483 BHBDRRGPOMWBCS-SJLPKXTDSA-N 446.576 5.544 30 20 IKED O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618450056 KVSZPELGTCKVBR-DAYGRLMNSA-N 448.382 5.568 30 20 IKED O=C(c1cc(Cl)ccc1OC(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 673989037 SEPAHFKZLNKFEJ-YUMQZZPRSA-N 425.703 5.144 30 20 IKED C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)c1ccc(OCC2CC2)c(F)c1 675247986 WEVVROHTUFKDSV-ZLKJLUDKSA-N 442.375 5.058 30 20 IKED O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccc(F)cc1C(F)(F)F 676222237 HGPIHRHAIOPIIV-UHFFFAOYSA-N 434.311 5.464 30 20 IKED CC(C)(C)C[C@H](NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(F)(F)F 679305107 DSXDJTISSSJRDP-KKZNHRDASA-N 430.355 5.562 30 20 IKED CC(C)(CNC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1cccc(Cl)c1F 681095237 PAVQMWIYPPAVHP-PHIMTYICSA-N 434.783 5.139 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(C2(NC(=O)c3ccccc3)CCC2)no1 685388897 DQIOVBQPSZOLKG-UHFFFAOYSA-N 443.425 5.129 30 20 IKED CC(C)(NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1ccc(Cl)c(Cl)c1 725799199 JIANWYSZBZPJOD-OAHLLOKOSA-N 425.319 5.055 30 20 IKED C#Cc1cccc(N(Cc2ccccc2)C(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)c1 728249248 MTYRSDBMWJQWRD-MSUUIHNZSA-N 448.566 5.153 30 20 IKED COc1cc(/C=C/C(=O)c2sc(-c3ccccc3F)nc2C)c([N+](=O)[O-])cc1OC 728440949 AHYNIWBGTVEFQO-CMDGGOBGSA-N 428.441 5.079 30 20 IKED N#CCn1c(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc2ccccc21 729651146 AXXKLBPLCPKZSE-UHFFFAOYSA-N 428.879 5.323 30 20 IKED CC[C@H](C)Oc1ccccc1/C=C/C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 729888401 FIDYTSFTTZRJRQ-RMHUIEEYSA-N 431.319 5.531 30 20 IKED Cc1cc(C)cc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c1 730416677 GPDCIPCDHUTMNV-KRWDZBQOSA-N 436.537 5.207 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)cc1Cl 730686544 HGROKSYHCWCMSR-ABAIWWIYSA-N 439.726 5.182 30 20 IKED Cc1cccc(N(CCC#N)C(=O)COC(=O)[C@@H]2C[C@H]2c2cccc3ccccc23)c1C 730872227 MIQBWIXYCSLDDL-BJKOFHAPSA-N 426.516 5.050 30 20 IKED Cc1ccc(CCC(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1Cl 731072138 XGVDUYHVBBDIFN-INIZCTEOSA-N 430.957 5.157 30 20 IKED CCCCCCCC(=O)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 731469502 WTIOYWOIUYDOLO-XMMPIXPASA-N 427.633 6.062 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C\C(=O)c1ccc(C(F)(F)F)nc1O 731564664 OEMLGMZFXOSWGB-VURMDHGXSA-N 442.224 5.503 30 20 IKED C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 734323635 UYVXQARUQZMRQM-GOHWNWGWSA-N 426.516 5.128 30 20 IKED C=CC[C@@H](NC(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1)c1ccncc1 734656639 MYHUTDMYXNLXLW-HHHXNRCGSA-N 440.591 5.461 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=S)Nc3ccc(C#N)c(Cl)c3)s2)cc1 739443401 ISCNNSHGAHLUHD-HNNXBMFYSA-N 441.025 6.342 30 20 IKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)cc1 742657594 PNNGDIIVHLWCRG-SFHVURJKSA-N 433.430 5.090 30 20 IKED Sc1nnc([C@H]2CCCCO2)n1N=Cc1ccc(-c2ccc(Cl)c(Cl)c2)s1 743452353 OUXDCGDXEBDKDE-OAHLLOKOSA-N 439.393 5.726 30 20 IKED N#Cc1ccccc1/C=C/C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 743714819 XCIPXSRRLLNJST-NTUHNPAUSA-N 441.918 5.343 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Br)s1 744031437 XGZKSAUKODEODA-PSASIEDQSA-N 446.153 5.268 30 20 IKED C[C@H](C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(Br)s1 744032391 DXDZKSYJLDIEGW-UFBFGSQYSA-N 446.153 5.268 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C)OC(=O)c1occc1COc1cccc(C#N)c1 744927015 PBESWNBRTKVFMX-QGZVFWFLSA-N 446.503 5.039 30 20 IKED COc1cc(C(=O)/C=C\c2ccccc2-c2ccccc2)ccc1S(=O)(=O)C(F)F 747067642 ZMVQHSCGTPGGDP-QBFSEMIESA-N 428.456 5.255 30 20 IKED N#CCc1cccc(C(=O)Nc2cccc(N(CC3CC3)C(=O)c3cccc(CC#N)c3)c2)c1 747308889 VOUPDVTYNUQKHZ-UHFFFAOYSA-N 448.526 5.128 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 752614662 FQSYFWZLWIJBQT-JXFKEZNVSA-N 425.554 5.285 30 20 IKED COc1cc(C=NOCc2ncc(-c3ccc(Br)cc3)o2)ccc1OC(C)C 754277375 ZYQZFCPEBHBWJQ-UHFFFAOYSA-N 445.313 5.451 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)Nc1ccccc1S[C@H](C)CC#N 756489572 PXTWDMOQHBJLOT-ZIFCJYIRSA-N 446.617 5.380 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(C3CC=CC3)C2=O)c1 759688306 FTXPTISOWVUUME-NRFANRHFSA-N 437.540 5.121 30 20 IKED COc1cc(F)c(C(=O)/C=C\c2cccc(OCc3ccccc3C(=O)O)c2)cc1OC 760266273 ZTXLWNNGYBVUCC-KHPPLWFESA-N 436.435 5.016 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3ccc(F)cc3OCC#N)c2)cc1 760796051 OKZWPOIGFPCMQN-UHFFFAOYSA-N 446.478 5.081 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCCC[C@@H]2CCc2ccccc2)ccc1OC 760834168 VBHNLCADRBTUFN-DHIUTWEWSA-N 435.568 5.073 30 20 IKED O=C(/C=C\c1cc(Cl)ccc1OC[C@@H]1CCCO1)c1cc(Br)ncc1F 762422869 BBYRTLASBHFCQU-MFBWXBCUSA-N 440.696 5.091 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(Oc4ccc(Cl)nn4)cc3)CC2)cc1 767871570 DGRZISYWZQGCKP-UHFFFAOYSA-N 431.883 5.115 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 768154313 SBJNWMVHBLTAAC-FQEVSTJZSA-N 438.934 5.325 30 20 IKED CC(=NNc1nc(O)c2cnn(C(C)(C)C)c2n1)c1ccc(Oc2ccccc2)c(F)c1 769806726 BKMXJGYTRIYLDY-UHFFFAOYSA-N 434.475 5.054 30 20 IKED Cc1cc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)ccc1NC(=O)OC(C)(C)C 772688109 NYFAUCCMMRKROU-KRWDZBQOSA-N 434.323 5.644 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCc1ccc(C)cc1Br 773980255 POKKUTGGCYYHSJ-LJQANCHMSA-N 441.369 5.163 30 20 IKED N#CCOc1ccc(CN[C@@H](c2ccc(Cl)cc2)c2ccc(OC(F)F)cc2)cc1 779093437 QQWLSGSKCDAFAF-QFIPXVFZSA-N 428.866 5.723 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 780458106 AGAZSBJNBHIQNB-MRXNPFEDSA-N 428.517 5.822 30 20 IKED O=C1/C(=C\c2scnc2C2CC2)CN(c2ccccn2)C/C1=C\c1scnc1C1CC1 782325939 ALNRRQDHFXXPPS-BUOZRGFLSA-N 446.601 5.306 30 20 IKED CC[C@@H](NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccc(OC)cc2)c(C)s1)c1ccccc1 787032008 OIPJJNNQFULMRC-FCHUYYIVSA-N 432.545 5.322 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)Cc1ccccc1C(F)(F)F)c1ccc(Cl)cc1Cl 787048435 GSHCLICVHPGTBG-XHDPSFHLSA-N 443.252 5.141 30 20 IKED Cc1ccccc1COc1ccc(C(=O)/C=C\c2cn(CCC#N)nc2-c2ccncc2)cc1 788356375 STYKCHXAEJWOEK-XFXZXTDPSA-N 448.526 5.642 30 20 IKED CCCCOc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1 789156905 GOOJTEBKJNBXCE-ZROIWOOFSA-N 438.524 6.042 30 20 IKED C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)[C@@H](C#N)c1nccc2ccccc12 792103079 RKBKYFGIQSNPCG-LDLZHSJESA-N 437.543 5.195 30 20 IKED Cc1c(C(=O)Nc2ccc(N3CCC(CN(C)C)CC3)cc2)sc2ccc(C#N)cc12 794348877 YGSWMOXGAVRICH-UHFFFAOYSA-N 432.593 5.112 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)/C=C\Sc1cc(F)ccc1F 797939061 AHJAZTBYXZXMNT-RBJHHQRMSA-N 448.516 5.147 30 20 IKED C[C@H](C(=O)Nc1ccc(OC(F)F)cc1OC(F)F)c1ccc(C(F)(F)F)cc1 798393436 UAOIPKOLGVUDDX-VIFPVBQESA-N 425.300 5.650 30 20 IKED N#CC1(c2ccccn2)CCN(Cc2sc(Sc3ccccc3)nc2Cl)CC1 800528405 NKBBDZIBIRJNGR-UHFFFAOYSA-N 426.998 5.400 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)OCc3csc(COc4ccc(Cl)cc4)n3)CC2)c1 803922259 NMDYLBQTMUKGCW-UHFFFAOYSA-N 442.899 5.161 30 20 IKED N#Cc1ccc(-c2cccc(CNCc3c(F)ccc(C4OCCO4)c3Cl)c2)s1 812834944 XVPZVRZCGNRMTP-UHFFFAOYSA-N 428.916 5.414 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1cccc(Br)c1 813059979 MVRPXQHPZHGMGQ-QLJPJBMISA-N 440.124 5.207 30 20 IKED COc1c(F)cc(F)cc1NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 857468885 KTBNSHUQXXFUPM-UHFFFAOYSA-N 429.263 5.029 30 20 IKED CC(=NNc1nc(C)nc2sc(-c3ccccc3)cc12)c1ccc2c(c1)CCC(=O)N2 915943044 VZHRLDPIHDROMI-UHFFFAOYSA-N 427.533 5.388 30 20 IKED CCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3cc(OC)c(OC)c(OC)c3)o2)cc1 916137835 FHNXIBGJFDYEPX-ZRDIBKRKSA-N 436.460 5.045 30 20 IKED Clc1ccc2c(NN=Cc3sc(N4CCOCC4)nc3-c3ccccc3)ccnc2c1 916269291 DOALRHIUSJDYCX-UHFFFAOYSA-N 449.967 5.294 30 20 IKED CC(C)c1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)c2cnn(C(C)C)c2n1 916915945 LNTYQFZUDVIVPS-FQEVSTJZSA-N 439.519 5.250 30 20 IKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1OC1CCCC1 916931998 PCZOKMRWMUUYIG-MRXNPFEDSA-N 447.318 5.285 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C3SCCCS3)cc2)cc1Cl 916936889 BXPQUMHMFNJLEV-INIZCTEOSA-N 446.981 5.178 30 20 IKED CN(CCCOc1ccc(Cl)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 918035983 SGNBQVIJZDGBFH-DEOSSOPVSA-N 433.939 5.928 30 20 IKED C[C@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 918407234 JRBQULHCDKDALR-WZONZLPQSA-N 437.499 5.246 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2nc(NCc3ccco3)ncc2Cl)cc1 919825741 URUWLFPXBZSECE-UHFFFAOYSA-N 445.866 5.251 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)n1 920326740 AJQQFAIUQMLSOG-YUAVISOBSA-N 448.588 5.343 30 20 IKED CCOc1cc(/C=C2\Cc3c(F)cccc3C2=O)ccc1OCC(=O)Nc1ccccc1 921267251 ZSDGFWDXUDKTMA-QGOAFFKASA-N 431.463 5.064 30 20 IKED Cc1ccoc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1788694108 BPJZVUKLYPAJKR-SFHVURJKSA-N 427.504 5.277 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ncccc34)cc2)CCC1 1788952233 WHTJLVNBOKXYOW-FQEVSTJZSA-N 428.536 5.079 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)COC4)cc2)CCC1 1789035102 RECIDAVOMJPGRQ-DEOSSOPVSA-N 430.548 5.233 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cnccc34)cc2)CCC1 1789391457 WLXOELWJMVGXJS-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3ccc4cc[nH]c4c3)CCC2)cc1)C(F)(F)F 1791303330 UMFLQRBFEGLCSB-UHFFFAOYSA-N 427.426 5.034 30 20 IKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](S)C(C)C)CCC3)cc2)c(Cl)c1 1792143141 XEORENMRNMYJGJ-FQEVSTJZSA-N 447.000 5.051 30 20 IKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(c1)c1ccccc1n3CC)C2 1801637880 VXLRYGHBIBGVNV-PSWRPDDJSA-N 443.591 5.278 30 20 IKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3ccc(Cl)cc3)o1)C2 1801695105 POCLWJLJMOUENS-BCDXTJNWSA-N 448.897 5.063 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccoc3s2)[nH]n1 1814828633 BHIYIVAFGLNJDZ-GOSISDBHSA-N 438.553 5.292 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccsc3[nH]2)n[nH]1 1821435918 ATFGAAPYZFBEFR-VQIMIIECSA-N 437.569 5.027 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSC2CCCC2)CC1 1824140027 VMXVHNWZOVKUNN-HSZRJFAPSA-N 432.674 5.050 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc(Cl)ccc2F)CC1 1825362668 JMTMETPDFMDWEH-LJQANCHMSA-N 449.998 5.100 30 20 IKED CC(C)(C)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1826334786 RIPNEJUEMYFUHM-JOCHJYFZSA-N 432.725 5.093 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)c2cccs2)CC1 1829071729 YDNISSDUTUMQGM-FPOVZHCZSA-N 430.658 5.464 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C23CCC(CC2)CC3)CC1 1832389339 ZRAWYJQLRRIZHO-IUSXEQEKSA-N 426.645 5.345 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cccc(C)c2C)cc1 10168009 BIGOTPQDFHEARH-UHFFFAOYSA-O 425.524 5.482 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2cccc(OC)c2)cc1 11262034 HSEDJAQLUMQGQP-UHFFFAOYSA-O 439.626 5.664 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(OC)cc1)=C(/S)Nc1ccc(C(C)C)cc1 11265520 RBDXTWAANYYSJX-UHFFFAOYSA-O 433.597 5.719 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)nnc1-c1cccc(C)c1 16862972 JKWGTQLXCRRBAS-INIZCTEOSA-N 426.973 5.521 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1ccc(Cl)cc1 17708526 UYNKUYMISNNOCM-OAHLLOKOSA-N 437.956 5.996 30 20 IKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3)n2)nnc1-c1ccco1 23201998 QLVWQQOVCQUBBB-UHFFFAOYSA-N 437.550 5.158 30 20 IKED CCn1cnnc1-c1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 25283494 ZJMABQBOLPGAEY-UHFFFAOYSA-N 425.517 5.240 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1 25439875 UTCHHPCLCISLEE-UHFFFAOYSA-N 426.545 5.680 30 20 IKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)COc3ccccc3NC(C)=O)c2C#N)C1 31677079 ZSPKAFRXUBAPCQ-INIZCTEOSA-N 439.581 5.137 30 20 IKED C=CCn1c(SCC(=O)N2CCCC[C@@H]2CC)nnc1-c1ccc(Cl)cc1Cl 58025573 JFFDDAQIWSCLHY-HNNXBMFYSA-N 439.412 5.321 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cc3c(cc2Cl)OCCO3)cc1 96992200 HMEQZVDYPGZRQA-UHFFFAOYSA-N 436.920 5.527 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2c(C)cccc2-c2nc(C(C)C)no2)cc1OC 207938491 YCUYWBZFADJYDD-QBFSEMIESA-N 433.508 5.394 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 302952446 DHHVLDKAKSXYPX-OAQYLSRUSA-N 444.510 5.044 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCCC[C@H]1c1cc2ccccc2[nH]1 303424223 ZENOEJHGKYEUPV-JPYJTQIMSA-N 432.593 5.585 30 20 IKED Cc1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c(OC[C@H]2CCCO2)c1 303653903 UVYGPNOYZPWMLE-XMMPIXPASA-N 442.515 5.256 30 20 IKED CCC(C)(C)OCc1cccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1C 428761206 VLISSHYJMVLLFU-UHFFFAOYSA-N 435.568 5.647 30 20 IKED CC(C)[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1cccc(C(F)(F)F)c1 432491535 WDRQDDQNUIYSFR-QFIPXVFZSA-N 431.458 5.199 30 20 IKED C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1Cc1cn(CCC#N)nc1-c1ccncc1 435136638 FQNAUJVPPVAJSE-RBISFHTESA-N 447.586 5.437 30 20 IKED CCN(C(=O)CCCC(=O)Nc1ccccc1C#N)[C@H](C)Cc1ccccc1C(F)(F)F 435957464 VIKTVIAUWMYUEB-QGZVFWFLSA-N 445.485 5.166 30 20 IKED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 437996773 BYGSJOMWSFSSJP-NYVOZVTQSA-N 448.485 5.084 30 20 IKED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](c1cccc(SC)c1)c1cc(F)ccc1F 438052664 JGFNGPICKYDPCI-XGRCMKMKSA-N 432.536 5.057 30 20 IKED CN(C)Cc1ccc(-c2ccccc2CNC(=O)N[C@@H](CCC#N)c2ccccc2)cc1 438855502 IYSNRFSZSKPKRL-SANMLTNESA-N 426.564 5.259 30 20 IKED Cc1cccc(COc2ccc(NC(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)c(C)c2)c1 439538027 WTKVDONAQKTWNO-UHFFFAOYSA-N 441.531 5.261 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(CNC(=O)C(C)(C)C)cc3)n2)cc1 442682507 UGADYTIRSXAQRO-FQEVSTJZSA-N 431.561 5.271 30 20 IKED C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1c(F)cc(C#N)cc1F 446068470 CXKMIULGXUTJFA-CHWSQXEVSA-N 431.870 5.145 30 20 IKED C=C(C)Cn1c(COc2ccccc2F)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 460951288 JWXFUTMKPZLLGE-SFHVURJKSA-N 438.469 5.131 30 20 IKED Cc1ccc([C@@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)s1 461508426 BKESLNMPTRNNEO-FQEVSTJZSA-N 431.590 5.638 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](C)c1ccc(Br)s1 463142651 QPZJGDQNIZHYER-CQSZACIVSA-N 441.350 6.225 30 20 IKED CC(C)(C)C(=O)Nc1nccnc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 463392325 CLNNPLDXJVZHCG-GOSISDBHSA-N 447.926 5.022 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](CSc2ccccc2)C1 464753883 BTZBHMBHTNOMJE-RBUKOAKNSA-N 425.623 5.134 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)cc1 464961092 PULJXYFAEVQCDL-YTTGMZPUSA-N 446.572 5.959 30 20 IKED C=C(C)CN1CCC(NC(=O)N[C@@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)CC1 465853646 AIZATTIECSTQEB-QHCPKHFHSA-N 445.579 5.116 30 20 IKED CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 470608740 ANTGMFYZIUPVNY-SFHVURJKSA-N 430.430 5.005 30 20 IKED C[C@@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@@H](c2ccsc2)O1 470789998 VMWFOJVEROWFKE-KOSHJBKYSA-N 447.560 5.387 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 471175778 CYHYDATXBUCFTB-UHFFFAOYSA-N 432.549 5.305 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1ccc(Cl)cc1C(F)(F)F 471728736 VCUVCAVVYQIBSI-UHFFFAOYSA-N 431.691 5.814 30 20 IKED N#Cc1cc(NC(=O)N2CC=C(c3c(F)cccc3F)CC2)ccc1OCC(F)(F)F 473668454 ZBPHUASUKXRUEI-UHFFFAOYSA-N 437.368 5.099 30 20 IKED N#C[C@H](C(=O)c1cc(Oc2cccc(Br)c2)ccn1)c1nc2ccccc2[nH]1 474827716 GOLNORCPUWVKNH-MRXNPFEDSA-N 433.265 5.003 30 20 IKED C=C(C)[C@@H](NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1ccc(F)c(F)c1 475699473 SMHKYFCHHBDYEP-SCPLRKQGSA-N 432.555 5.344 30 20 IKED CC(C)([C@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1ccc(F)c(F)c1)N1CCCC1 476619291 TZOSRMMJKWOWNI-NTKDMRAZSA-N 425.523 5.084 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cccc(OC3CCCC3)c2)nnc1-c1ccco1 480105242 KPLKNSQFJMWZPM-UHFFFAOYSA-N 438.553 5.166 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc1 480402758 JONMBZJCNSRHGI-OAHLLOKOSA-N 427.464 5.118 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1C 480827319 MUZLHIADLNIKED-QGZVFWFLSA-N 446.016 5.945 30 20 IKED CCOc1ccc(-n2c(SCc3ccc(C#N)cc3F)nnc2-c2ccccn2)cc1 481403929 QQOHGHPTENPTQF-UHFFFAOYSA-N 431.496 5.031 30 20 IKED C[C@@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481569652 MMAAZQORIXVUPL-KRWDZBQOSA-N 433.483 5.125 30 20 IKED C=C(C)[C@H](N[C@H](C)c1nc(O)c2c3c(sc2n1)C[C@@H](C)CC3)c1ccc(F)c(F)c1 481589037 XUWPBGAURAUBQP-RDXCRGQUSA-N 429.536 5.768 30 20 IKED CCN(CCC#N)C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482343936 ITPNDQRPOOKYAR-LBPRGKRZSA-N 435.290 5.273 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482417753 SEWKLCNRSDSYBM-GOSISDBHSA-N 444.400 5.298 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cc(Cl)ccc3OC[C@@H]3CCCO3)c2)cc1 483322683 NHHFTRVDNRHTHT-QFIPXVFZSA-N 448.906 5.814 30 20 IKED CCCCCN(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 483487741 KZQFTUDVTFTTSQ-KRWDZBQOSA-N 447.988 5.250 30 20 IKED C=CCn1c(S[C@@H](CCCC)C(=O)Nc2cc(C)on2)nnc1-c1ccccc1C 488898366 NWDUWKQSJOZGPH-SFHVURJKSA-N 425.558 5.026 30 20 IKED Cn1nc(-c2ccsc2)cc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 489743678 WLODUHNHPLPKRY-UHFFFAOYSA-N 445.523 5.394 30 20 IKED C=CCn1c(SCC(=O)NC2(C)CCCCC2)nnc1-c1ccc(Cl)cc1Cl 490142095 KEDJWEVPUPZIPP-UHFFFAOYSA-N 439.412 5.369 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](CN4CCCCCC4)C3)cc2)cc1 491491844 STAGEHQKSJVHNS-QFIPXVFZSA-N 432.568 5.470 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)c3cc(Br)cc(C(F)(F)F)c3)CC2)cc1 503956447 UEEJTZQPUJUHMQ-UHFFFAOYSA-N 435.243 5.269 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1csc(-n2c(C)ccc2C)n1 510243876 QZSLJYKODJHURK-UHFFFAOYSA-N 442.544 5.704 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1ccccc1N1CCCC1 510861412 YPLMDFAJBPMWJU-UHFFFAOYSA-N 440.547 5.923 30 20 IKED COc1ccc(C[C@@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC 510995518 ZWRFJJQIJRDKQP-LJQANCHMSA-N 444.531 5.280 30 20 IKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1 511059393 ATWUFCXBKKSOEH-AWEZNQCLSA-N 427.595 5.356 30 20 IKED N#Cc1ccc(CCC(=O)N(Cc2ccsc2)c2ccc(Br)cc2)cc1 511097341 VUWJCJFRLZBZHI-UHFFFAOYSA-N 425.351 5.548 30 20 IKED CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 511554450 MPBMXRCUSOKTBS-MRXNPFEDSA-N 438.343 5.559 30 20 IKED Cc1c(C#N)cccc1C(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 512698397 AHPHPAUHSQXWDW-SFHVURJKSA-N 442.359 5.118 30 20 IKED CC(C)(C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1cc(F)cc(C#N)c1 513656738 WZRMPATWSGHXGU-UHFFFAOYSA-N 447.457 5.434 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@H](C#N)c3nc4ccccc4s3)c12 513676871 LYOOYUMSMRRXIW-INIZCTEOSA-N 431.565 5.718 30 20 IKED C=CCn1c(Sc2ncnc3scc(-c4ccc(C)cc4)c23)nnc1-c1cccnc1 514732071 YAIHEMHPPZYMHS-UHFFFAOYSA-N 442.573 5.657 30 20 IKED CNC(=O)c1ccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 515795091 CZICDKWTQDATOZ-UHFFFAOYSA-N 448.910 5.027 30 20 IKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1 515890734 XUYAXLDUNGCETD-HSZRJFAPSA-N 447.922 5.456 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)n1 516350585 KLLDXQRUJMNZFK-AWEZNQCLSA-N 449.513 5.193 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 518140074 BZHWIBIMOIGNPA-DZGCQCFKSA-N 448.375 5.237 30 20 IKED N#C[C@H](C(=O)c1cc(-c2cccs2)nc2ccccc12)c1nc2ccccc2n1C(F)F 519251899 STMAURKKQWIFEO-MRXNPFEDSA-N 444.466 6.198 30 20 IKED C=CCn1c(SCc2ccc(OCc3ccccn3)cc2)nnc1-c1ccc(OC)cc1 520092854 FKVKCJVAKGRFGO-UHFFFAOYSA-N 444.560 5.406 30 20 IKED N#CCCN(C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccc(F)cc1 522022839 ARZKFPVXJRBXDX-QHCPKHFHSA-N 449.913 5.287 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)N(C)S(=O)(=O)c3ccc(Cl)c(C#N)c3)s2)cc1 523521746 ANDFCDOZKCUCMH-OAHLLOKOSA-N 445.997 5.334 30 20 IKED CC(=O)Nc1cccc2c1CCCN2C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 523958792 HRSMATWHXYUYGH-UHFFFAOYSA-N 445.906 5.555 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)CC1 524261052 GXCLPCLPEZSEGH-VUNKPPBISA-N 449.551 5.538 30 20 IKED C[C@H]1CCCCN1Cc1ccc(CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 524416819 YTYDYQOARCKONN-FQEVSTJZSA-N 443.547 5.035 30 20 IKED C[C@H](NC(=O)N(CCCN(C)C)Cc1ccc(Cl)c(Cl)c1)c1ccc(C#N)cc1 524597322 TYOBSOYZFWQNMJ-INIZCTEOSA-N 433.383 5.090 30 20 IKED COc1ccc(CCC(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)cc1OC 524704045 GTLJEJXZXQPKFP-UHFFFAOYSA-N 434.923 5.395 30 20 IKED N#CC1(NC(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)CCSCC1 533745946 DRUAHNQCDXCZIY-UHFFFAOYSA-N 437.417 5.805 30 20 IKED C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 536822464 QPQWLQAJRGNSFO-INIZCTEOSA-N 444.362 5.166 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N[C@H](CC(F)(F)F)c3ccccc3)n2)c(Cl)c1 541101373 OHDOPZXZVPUDHE-MRXNPFEDSA-N 433.821 5.213 30 20 IKED CN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 541660966 VKCVBBOJRIBBLN-NBGIEHNGSA-N 448.469 5.621 30 20 IKED CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)N1CCC(CC#N)CC1 542902217 OGJLWGIAQFCECV-UHFFFAOYSA-N 425.554 5.366 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(OCC4CC4)c(Cl)c3)n2)cc1 543213944 CBVZVBXCDWGBDC-KRWDZBQOSA-N 434.908 5.009 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](C(F)(F)F)C1 543620858 RXPOCKGQYKFBSZ-OLZOCXBDSA-N 436.318 5.683 30 20 IKED C[C@@H](NC(=O)N1CCC(OC[C@@H]2CCCCO2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 543942404 JOBSGWOWXJBKMJ-IBVKSMDESA-N 447.579 5.046 30 20 IKED CN(C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 544569669 LLQPOIXINIMJMV-DQEYMECFSA-N 429.495 5.433 30 20 IKED C=C(C)Cn1c(SCc2nc(-c3cnc4ccccc4c3)no2)nnc1-c1ccco1 547038162 RBXBGSBOKYXVHP-UHFFFAOYSA-N 430.493 5.005 30 20 IKED N#Cc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cnc1C(F)(F)F 549376038 CRAPXCZEZHJBEG-GOSISDBHSA-N 440.812 5.533 30 20 IKED N#Cc1cccc(F)c1CC(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 552120813 FVVAOLHQIGTAAD-UHFFFAOYSA-N 432.842 5.267 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc2n[nH]cc2c1 554400828 FIEZZFOCLRQBAN-YCRPNKLZSA-N 429.911 5.754 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 557602511 QKWHYRSNLNBDCV-UHFFFAOYSA-N 426.948 5.310 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C(=O)Nc4ccccc4)cc3)n2)cc1 559738662 ICAFPTUMQMIXTQ-QFIPXVFZSA-N 437.524 5.861 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(OC)c1 560728566 OTNRJKNZTYORJX-XMMPIXPASA-N 443.503 5.737 30 20 IKED N#CCCSc1ccccc1NC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 561154774 UMAPKQWSIDSNHN-UHFFFAOYSA-N 449.536 5.393 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 561215164 OAVYVVAVNIKWFK-UHFFFAOYSA-N 435.307 5.261 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccncc1OCCC(C)(C)C 561799359 JKFLUMHWRRVNMH-QGZVFWFLSA-N 426.586 5.613 30 20 IKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(c1cccc(F)c1)C1CCOCC1 577989834 VUEKITGGOXPLLA-UHFFFAOYSA-N 435.339 5.689 30 20 IKED C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(NC(=O)NC2CC2)cc1 579508083 XDOIXFQMABSUJN-CVEARBPZSA-N 437.569 5.247 30 20 IKED C[C@@H](Oc1ccccc1NC(=O)N(C)CCOCc1ccc(C#N)cc1)c1ccccc1 582085920 BJDVURSHOSXYEH-HXUWFJFHSA-N 429.520 5.379 30 20 IKED CSc1nc(C2CC2)cc(-c2nc(Cc3csc(-c4ccccc4)n3)no2)c1C#N 582205975 KDGPIVOIGSKDTB-UHFFFAOYSA-N 431.546 5.317 30 20 IKED CC(C)Cn1ccc2c(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cccc21 584878539 FWTLGUZQGZHOBR-SFHVURJKSA-N 444.560 5.376 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)CCOc3ccc4ccccc4c3)s2)cc1 603564594 PVZVWRNUQWGXLZ-UHFFFAOYSA-N 446.557 5.263 30 20 IKED C=CCn1c(SCc2csc([N+](=O)[O-])c2)nnc1-c1ccc(Br)cc1 603938376 MRPNLNRYGNDEHG-UHFFFAOYSA-N 437.344 5.156 30 20 IKED CN(C)c1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c(C(F)(F)F)c1 603959913 WHDATMNZPLDSOL-UHFFFAOYSA-N 429.398 5.067 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3cc(C#N)cn3C(C)(C)C)c3c(C)noc3n2)c(C)s1 609358534 FPRUMATWYWHXQH-UHFFFAOYSA-N 433.537 5.557 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 609378211 VOMOUIRANWLWNV-ZDUSSCGKSA-N 448.445 5.534 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1cc(F)ccc1Oc1ccccc1)c1ccccc1 609459851 BVYJNEHZOZJZKQ-UHFFFAOYSA-N 431.467 5.284 30 20 IKED N#Cc1cc2c(nc1N1CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC1)CCC2 609511693 LBWSDEKEJJKPMR-RUZDIDTESA-N 443.595 5.135 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@@H](C#N)c3ccccc3Br)cc2)cc1 609592122 BRUXLQWIMOKMQZ-QFIPXVFZSA-N 446.304 5.302 30 20 IKED CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CCCC3)c1 610223319 MADRYTLCJDWLGN-UHFFFAOYSA-N 429.973 5.779 30 20 IKED C[C@H](NC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1)c1cccc(C#N)c1 610407090 SGHBILYGPKQPAG-KRWDZBQOSA-N 445.394 5.234 30 20 IKED N#Cc1ccc(CN[C@H]2CCCc3nc(-c4ccccc4Br)sc32)c(F)c1 610812858 XEJRYCJHSGPLRA-SFHVURJKSA-N 442.357 5.751 30 20 IKED Cc1ccc(Cc2cnc(NC(=O)c3c(Cl)cc(C#N)cc3Cl)s2)cc1Cl 611477427 IRZXYHABJBDVQR-UHFFFAOYSA-N 436.751 6.127 30 20 IKED CC(C)OCc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 613346421 ITFKHKCWGQZKCQ-SFHVURJKSA-N 445.371 6.532 30 20 IKED COc1cc2ccccc2cc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613404583 ORPYWWKTNJEKMO-MRXNPFEDSA-N 426.419 5.967 30 20 IKED C=CCN(C(=O)c1cc2cc(C)ccc2nc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 619564684 WCVJZBZKHGMVIR-UHFFFAOYSA-N 444.516 5.716 30 20 IKED C=CCN(C(=O)c1cc(=NCc2ccccc2)cc[nH]1)c1nc(-c2ccccc2)cs1 619729729 BJETVCQICMSWEG-UHFFFAOYSA-N 426.545 5.072 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)NCc3ccc(C#N)c(Cl)c3)s2)cc1 619769235 YZRSJSORSQADEW-INIZCTEOSA-N 438.984 5.855 30 20 IKED Cc1c(CNC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)oc2ccc(F)cc12 620090547 RFADKIQUIQCYHI-PHIMTYICSA-N 426.332 5.153 30 20 IKED C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 642282276 ZFLQNTWWMLEUFG-HFBAOOFYSA-N 443.450 5.400 30 20 IKED CCOc1ccc(OCC)c(NC(=S)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 726899708 VAKUQKVIFLZEGH-JOCHJYFZSA-N 431.561 5.948 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](OC3CCCC3)c3ccccc3)n2)cc1 727050044 NSKSPMCKNRCECR-XUZZJYLKSA-N 432.545 5.695 30 20 IKED FC(F)(F)c1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)ccc1Cl 727253579 JBLLGPJCWGFNRW-UHFFFAOYSA-N 431.270 5.778 30 20 IKED COc1cc(/C=C\C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)ccc1OCC(=O)O 727654357 LPEJRKAQURYAOU-OQFOIZHKSA-N 443.908 5.140 30 20 IKED CC(=O)c1cccc(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 728062918 QWNUKABKSGCZRD-SFHVURJKSA-N 427.504 5.087 30 20 IKED COc1cc(OC)c(C(=O)/C=C\c2csc(-c3ccc4c(c3)OCO4)n2)cc1Cl 728439637 NIOQSARITMMJAW-PLNGDYQASA-N 429.881 5.106 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 730919373 CJHVZFOXKZVRJS-NJYVYQBISA-N 436.483 5.606 30 20 IKED Cc1nc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nn1-c1ccccc1 731573907 MBYGNMIQLTYSHS-NRFANRHFSA-N 427.895 5.137 30 20 IKED CC(C)c1ccc(-c2nc(CC(=O)N(CCC#N)c3ccc4c(c3)OCCO4)cs2)cc1 732762744 ODQBUHZQYKCAIU-UHFFFAOYSA-N 447.560 5.194 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cc1 733258692 ILKSAXKWDAYGKE-QGZVFWFLSA-N 434.323 5.013 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2oc3ccccc3c2COc2ccccc2)c1 733773859 FTHWJPRIZISPIU-FQEVSTJZSA-N 440.499 5.623 30 20 IKED C=CC[C@H](NC(=O)N1CCC[C@H]1c1cc(Br)ccc1OC)c1ccncc1 734684432 RKJKGMJBHOILKV-OALUTQOASA-N 430.346 5.017 30 20 IKED O=C(/C(=C/c1ccc(F)cc1)c1cccs1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 735261839 BSYLQIFYLFJLPO-GXDHUFHOSA-N 437.380 5.771 30 20 IKED Cc1oc(-c2ccccc2F)nc1C(=O)OCCC(C#N)(c1ccccc1)c1ccccc1 738673554 YXSKPTLCNAUDEX-UHFFFAOYSA-N 440.474 5.846 30 20 IKED CCc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)o1 740434265 CURSOTSUELLMSD-DQEYMECFSA-N 427.548 6.647 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)C[C@@H](C)c2ccccc2C(F)(F)F)cc1Cl 744031860 CQLCWUJCPSIFHR-DOMZBBRYSA-N 438.833 5.209 30 20 IKED Cc1ccc(-c2noc([C@H](C)OC(=O)c3occc3COc3cccc(C#N)c3)n2)cc1F 744925857 NKTBINJSJYAYCV-HNNXBMFYSA-N 447.422 5.146 30 20 IKED Cc1ccc(C)c(SCc2cccc(C(=O)OCC(=O)Nc3sccc3C#N)c2)c1 745209490 BMOYXEJQYDGKPH-UHFFFAOYSA-N 436.558 5.324 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)ccc1OC 745819697 PALVIMWTLVJYBV-IXHQSITISA-N 441.959 5.226 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)n1 747196627 OTGCGNSBUFVPOJ-IBGZPJMESA-N 443.528 5.684 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)NCCNc2ncccc2C#N)c(C(F)(F)F)c1 749003668 PQPIBWXVRCAOSC-ZDUSSCGKSA-N 437.491 5.096 30 20 IKED CC[C@@H](C)Oc1cc(/C=C(\C(=O)Nc2cccnc2)C(=O)c2ccccc2)ccc1OC 749453528 SNQZRLHEPVRDOL-OSVNEOKWSA-N 430.504 5.173 30 20 IKED CCn1c2ccccc2c2cc(NC(=O)[C@H](C)OC(=O)c3c(F)cc(C#N)cc3F)ccc21 756591486 UQOXLXNJGCAUFZ-AWEZNQCLSA-N 447.441 5.148 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1 757293553 ITLJBENHWFGPPU-JOCHJYFZSA-N 433.467 5.654 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(Oc3ccc(C(C)=O)cc3)cc2)c1 760456506 AWQCATIABZDBCH-QFIPXVFZSA-N 428.488 5.292 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 760783666 ILVGKCCFGGJSEL-RJRFIUFISA-N 432.295 5.418 30 20 IKED O=C1/C(=C/c2nc3ccc(F)cc3s2)COC/C1=C\c1nc2ccc(F)cc2s1 761478439 HCBYLQLBNQYQMZ-YDWXAUTNSA-N 426.469 5.251 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)N[C@H](CCc3ccccc3)c3ccccc3)CCO2)c1 761669703 OUIIICUFLACTFH-CLJLJLNGSA-N 425.532 5.015 30 20 IKED CC(C)[C@H](c1ccc(Br)cc1)c1noc(Cc2ccc(OCC#N)cc2)n1 762363776 IJVPOWMWSFCRTG-HXUWFJFHSA-N 426.314 5.113 30 20 IKED O=C(/C=C/c1ccc(OCc2ccncc2)cc1)c1ccc(N2CCOCC2)cc1Cl 762437924 HOUCDAPRWVMGNB-FPYGCLRLSA-N 434.923 5.047 30 20 IKED CCn1c(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)nc2cc(C#N)ccc21 764512728 HWXBXUOVQNPULY-UHFFFAOYSA-N 439.903 5.181 30 20 IKED Cc1nc(-c2ccccc2)ncc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 766258353 ZBNHJXWJYCIHLU-NRFANRHFSA-N 448.482 5.206 30 20 IKED C[C@H](c1cc2ccccc2o1)N(C)C(=O)COC(=O)c1cn(CCCC#N)c2ccccc12 769544185 YNIXOCYFVCDDIX-GOSISDBHSA-N 443.503 5.068 30 20 IKED N#Cc1cccc(COc2ccc(NCc3cnc([C@H]4CCCO4)s3)cc2Cl)c1 779595807 NVNIOIXKEYHRGU-OAQYLSRUSA-N 425.941 5.711 30 20 IKED CCN(Cc1cccc(NC(=O)Nc2ccccc2O[C@@H](C)C#N)c1)C(=O)OC(C)(C)C 780578671 JWXWNQHIBCXIKI-KRWDZBQOSA-N 438.528 5.378 30 20 IKED CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2cccc(F)c2F)o1 790150059 UDBMYKXUNYUYOS-UHFFFAOYSA-N 426.448 5.053 30 20 IKED Cn1nc(C(F)F)c2cc(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)sc21 791606731 KOBRVSAVXCVYGH-UHFFFAOYSA-N 428.489 5.103 30 20 IKED N#C[C@@H](C(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1)c1nccc2ccccc12 792097893 YVESLKYONUNJPS-DNQXCXABSA-N 435.483 5.079 30 20 IKED N#CC[C@@H](CC(=O)O[C@H](c1cccc(Br)c1)C(F)(F)F)c1ccccc1 796757371 UJONBTPGDCBRDM-KBXCAEBGSA-N 426.232 5.683 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccccc2OCc2cn3ccccc3n2)s1 797567088 DDEVVNCRIQXYLL-GOSISDBHSA-N 430.533 5.157 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)OCC(=O)c3cccc(Cl)c3Cl)cc2)nc1 801837380 DXSWUDYBFWTTRD-UHFFFAOYSA-N 427.243 5.092 30 20 IKED CC1(C)CC[C@@H]1N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccsc1 807938929 JSPLKHZLEBBKOG-IRXDYDNUSA-N 431.558 5.036 30 20 IKED N#CCCn1cc(/C=C/C(=O)c2ccc(-c3c(F)cccc3F)cc2)c(-c2ccncc2)n1 811697862 NQQOKKDABPIPBV-MDZDMXLPSA-N 440.453 5.700 30 20 IKED CCN(c1ccc(NC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1)C(C)C 812455122 XBLYOQRQRQDEKW-QGZVFWFLSA-N 440.519 5.569 30 20 IKED C[C@]1(c2ccc(F)cc2)NC(=O)N(c2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1=O 812460723 TWFQZIYJABZTLG-GBXCKJPGSA-N 433.870 5.106 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1nc2ccccc2cc1Cl 812831721 YWNQGGJRGSHEBR-UHFFFAOYSA-N 431.673 5.140 30 20 IKED C=C(C)[C@@H](NC(=O)N1CCC([C@@H](O)c2ccc(OCC)cc2)CC1)c1ccc(F)c(F)c1 812901732 BEHGFVPWZZDRLJ-RPWUZVMVSA-N 444.522 5.136 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COc2ccc(Oc3ccccn3)cc2)cc1 915085068 FJRVVHOYXAAGSE-VWLOTQADSA-N 435.483 5.547 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COc2ccc(F)cc2Br)cc1 915085707 DXINSFSHWMEMJK-IBGZPJMESA-N 439.284 5.261 30 20 IKED COc1ccc(/C=C/C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1OC 916449775 MCGDSFBVYDBXEM-UKTHLTGXSA-N 428.488 5.001 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1Oc1ccccc1 916907414 YRCFQZGGAIZWOY-FQEVSTJZSA-N 446.890 5.443 30 20 IKED C/C=C/c1ccc(OCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(OC)c1 917042863 ICGKOFKQODEADK-BWPKMQGJSA-N 446.450 5.612 30 20 IKED Cc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1C 917044955 WFJOLRGOFVJXIX-INIZCTEOSA-N 430.451 5.771 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C)n1-c1ccccn1 917045241 WZDVWBLXFADWEG-INIZCTEOSA-N 440.450 5.608 30 20 IKED Cc1ccc(C(C)C)c(Oc2ccc(C=Nn3c(C)cc(C)c(C#N)c3=O)cc2[N+](=O)[O-])c1 917568721 AMOFGWVFDCKSMD-UHFFFAOYSA-N 444.491 5.351 30 20 IKED CN(CCC#N)c1ccc(/C=C2\SC(=S)N(c3ccc4ccccc4c3)C2=O)cc1 917644484 XSZWCNHZTMAVCU-JCMHNJIXSA-N 429.570 5.595 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CC(c3ccccc3)c3ccccc3)n2)cc1 920139546 UOLJGENQYYXMPG-XMMPIXPASA-N 438.552 6.217 30 20 IKED CC(C)(C)NS(=O)(=O)c1ccccc1NN=Cc1c(Cl)ccc(Cl)c1Cl 920376776 SBNOTVRJHIUQLN-UHFFFAOYSA-N 434.776 5.170 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4c(F)ccc(Cl)c4F)CCC3)cc2)C1 1785809233 ZSRRTLPQYDEBTG-UHFFFAOYSA-N 430.882 5.332 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cnc(-c4ccccc4)s3)CCC2)cc1 1785933558 PFEXDBKFDLJLST-UHFFFAOYSA-N 444.560 5.108 30 20 IKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@]4(C)CC=CCC4)CCC3)cc2)c1 1790076968 WHQOUEACWGEUGS-AREMUKBSSA-N 443.547 5.061 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(C)cccc3Cl)cc2)CCC1 1790684885 ZFGAOWBJKLCPJH-QGZVFWFLSA-N 441.959 5.197 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C(F)(F)F)cc3)CCC2)cc1 1791582294 HZXAVJNJEYZEID-UHFFFAOYSA-N 442.481 5.186 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2ccc(Cl)cc2c1 1800934662 AODKITGDPSJCSY-WKCHPHFGSA-N 439.987 5.132 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)/C(C)=C/c2cccs2)[C@H]1c1cccnc1 1802433102 CELCFYCFQCLHFH-ZLGKEQQUSA-N 449.620 5.021 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)[C@H]1c1cccnc1 1812898099 FOLLDGFJJBWDJU-WIHVIGOGSA-N 437.628 5.072 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CSc2ccccc2)[nH]n1 1819553504 JPIONGOFOFOFGQ-HXUWFJFHSA-N 440.613 5.187 30 20 IKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)[nH]n1 1822581903 CMCHQPLLWIDPRK-HXUWFJFHSA-N 448.592 5.432 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1 1823753599 VAABJCXAZJPFIC-URXFXBBRSA-N 440.628 5.066 30 20 IKED Cc1cc(Cl)ccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 1823912727 XTKVZEPQHNUCFU-DEOSSOPVSA-N 449.982 5.067 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3cc(C)[nH]c23)CC1 1824142602 ZJABERYFJORRRW-RUZDIDTESA-N 447.623 5.478 30 20 IKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)o2)CC1)c1ccccc1 1824687039 RTIVJANFOZXCMW-RPBOFIJWSA-N 446.591 5.019 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cnccc3c2)CC1 1828204386 HALAACSIGVTDRD-VWLOTQADSA-N 447.623 5.461 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)noc2CCC)CC1 1829066299 ALCNSXNVSINTEE-OAQYLSRUSA-N 443.632 5.161 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nnc1-c1ccc(C(C)(C)C)cc1 10409607 AZTQRTUXVKSEEJ-KRWDZBQOSA-N 445.592 5.420 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)Cc3coc4cc5c(cc34)CCC5)s2)cc1 14621360 FBSHZQODAXUDAM-UHFFFAOYSA-N 446.557 5.118 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(-c3ccccc3)cc2)[n+]2ccccc2)cc1F 14872405 UNQUOVAAFJQOPA-UHFFFAOYSA-O 441.551 6.140 30 20 IKED CCc1ccc(N(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)c2nc3ccccc3s2)cc1 15318706 SLKKURPNBIABCW-QGZVFWFLSA-N 427.529 5.863 30 20 IKED CCOc1ccc([C@H](CNC(=O)c2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1OC 16176428 CKQWIOULDADXKF-QFIPXVFZSA-N 439.515 5.009 30 20 IKED CCN(C(=O)CSCc1ccc(Br)cc1F)[C@H](C)c1ccc(C#N)cc1 64907589 GHHKBWLUEMDEQF-CQSZACIVSA-N 435.362 5.303 30 20 IKED C=CCn1c(SCc2csc(COc3ccc(C)cc3)n2)nnc1-c1ccncc1 97001062 GPSRACNRTIIHBL-UHFFFAOYSA-N 435.578 5.162 30 20 IKED CCCOc1c(Cl)cc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cc1OC 107830868 HQOBIAGKMHZJBO-UHFFFAOYSA-N 440.849 5.214 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCCCC(=O)Nc1ccc(Cl)cc1 108693404 GBQNVZYZHOOMIR-UHFFFAOYSA-N 449.963 5.512 30 20 IKED CC(C)n1c(Sc2ccc(C#N)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1Cl 247983454 HVTXUVVMAWHPHG-UHFFFAOYSA-N 434.308 5.764 30 20 IKED CC(C)Sc1ccccc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 255950128 VBKFBPMBLOUVHO-UHFFFAOYSA-N 426.592 5.455 30 20 IKED N#CCOc1ccc(CC(=O)N(CCc2ccccc2)c2nc3ccccc3s2)cc1 303505212 SCAOHOOHTCKYTP-UHFFFAOYSA-N 427.529 5.017 30 20 IKED CCN(C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)[C@H](C)c1ccc(C#N)cc1 409802305 UDUGTTKCYBLSNZ-CQSZACIVSA-N 431.483 5.729 30 20 IKED CN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1CCC(C(C)(C)C)CC1 410066160 UFSHPWSQJUYTDA-UHFFFAOYSA-N 438.572 5.086 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 429518145 PHANMFHSOIKBHH-UHFFFAOYSA-N 441.457 5.266 30 20 IKED COCCOCc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)ccc1F 437473362 LVWUOYYMTFAITD-UHFFFAOYSA-N 438.430 5.044 30 20 IKED CN(Cc1nccn1Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 437836131 PVZVWMHXDXTZPT-UHFFFAOYSA-N 437.503 5.259 30 20 IKED CN(C(=O)N[C@@H](CCC#N)c1ccccc1)[C@H]1CCSc2ccc(Br)cc21 440252717 GUQJYNSOJSSTGA-OALUTQOASA-N 444.398 5.672 30 20 IKED C[C@@H](Nc1c(C#N)cnc2c(Br)cccc12)c1ccc(Br)cn1 440633278 DMWVCNUCMRCEFK-SNVBAGLBSA-N 432.119 5.200 30 20 IKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccccc1 441570690 USSSZCPNXARODA-QFIPXVFZSA-N 445.494 5.332 30 20 IKED C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 441870183 HUDIXPRCDFODGM-UHFFFAOYSA-N 427.932 5.061 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cc(O)nc2cc(F)ccc12 444435342 SZPHHSPIWBYQGN-INIZCTEOSA-N 446.322 5.522 30 20 IKED N#Cc1ccc(N2CCN(C(=O)Nc3ccc(CCC(F)(F)F)cc3)CC2)c(Cl)c1 444913993 VVFSGDNYRLSFBT-UHFFFAOYSA-N 436.865 5.061 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CCC(=O)c1cc(Cl)sc1Cl 446063088 WMIBYMZETBELHL-LLVKDONJSA-N 427.378 5.908 30 20 IKED N#Cc1cc(F)c(C(=O)Nc2ccc(Cl)cc2-c2nc(C3CCCC3)no2)c(F)c1 446221784 JAJALXHPEJXUKI-UHFFFAOYSA-N 428.826 5.450 30 20 IKED Cc1nnc(-c2cccc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)c2)n1C 448189742 IQNJCGBBVOQGPJ-UHFFFAOYSA-N 443.894 5.360 30 20 IKED Cc1nc(-c2cccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c2)cs1 463277171 CTGVSCWJCIBCAM-UHFFFAOYSA-N 439.540 6.016 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NCc1cc(C#N)ccc1F 464047817 HHHQVQYQHZKCFJ-UHFFFAOYSA-N 445.878 5.042 30 20 IKED COc1ccc(C(=O)Nc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4s3)s2)cc1 467060160 OGGJOAGGXULTTD-HNNXBMFYSA-N 433.514 5.109 30 20 IKED COc1ccc(C#N)cc1NC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 467900669 MFFUYFQDNIKNRY-UHFFFAOYSA-N 440.425 5.215 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 468450897 QAIAMMIJTRREHE-QFIPXVFZSA-N 442.588 5.185 30 20 IKED C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1OCc1ccccc1 469199330 ZJTFDNHNPSSCLX-NRFANRHFSA-N 439.559 6.022 30 20 IKED C[C@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1nc(C(F)(F)F)cs1 470563585 IEKFLVNFGKBVNH-ZDUSSCGKSA-N 431.439 5.104 30 20 IKED Cc1ccc(-c2ccsc2C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 470776800 MXLAPVOIUCWFME-UHFFFAOYSA-N 429.545 5.559 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@H](c1ccncc1)c1ccc(Cl)cc1 475561977 CZEIQGWRGLCVSA-VWLOTQADSA-N 433.983 6.840 30 20 IKED Cn1c(CC#N)nnc1Sc1nc(-c2cccs2)nc2scc(-c3ccccc3)c12 480829097 PSXXYEDWYZBXAH-UHFFFAOYSA-N 446.586 5.433 30 20 IKED CCCCN(C(=O)c1ccnc(C#N)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 483101694 HZICHFWMUSJJIX-UHFFFAOYSA-N 431.348 5.830 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1cccc(COc2ccccc2)c1 483263962 ZWJWTQOYYPMEOO-UHFFFAOYSA-N 432.568 5.331 30 20 IKED CCOC(=O)c1csc(N(C(=O)C[C@@H](CC#N)c2ccccc2)c2ccc(OC)cc2)n1 483587212 BQDRAYPDLMLDQZ-GOSISDBHSA-N 449.532 5.081 30 20 IKED N#CCCN(C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)OCCO2 486218825 SIYWVSSEFWDTMP-UHFFFAOYSA-N 440.499 5.035 30 20 IKED C[C@H](Oc1ccccc1Br)C(=O)Nc1sc(-c2ccccc2)cc1C#N 487041197 XJNZDGZAKDTGFH-ZDUSSCGKSA-N 427.323 5.455 30 20 IKED C=C(C)Cn1c(S[C@@H](C(=O)N2c3ccccc3C[C@H]2C)C(C)C)nnc1-c1ccncc1 489389876 KRNCYGHJIPMNKN-XMSQKQJNSA-N 447.608 5.011 30 20 IKED Cc1cc(C(=O)N(C)[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)nc(C(F)(F)F)n1 490261911 RKZLEVQQTPNOST-GFCCVEGCSA-N 445.285 5.198 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)c(Cl)c2)cc1OC 496884104 YMABQJJZFUVUKW-INIZCTEOSA-N 442.943 5.180 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(-c4noc(C(F)F)n4)cc3)cc2)c1 497559457 HVIGLMYGLLRTOE-UHFFFAOYSA-N 432.386 5.590 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)cc1 499748191 GRVPQPAOTWRGEP-SFTDATJTSA-N 439.353 5.006 30 20 IKED O=C(NCc1ccc(F)c(F)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 502510902 MOGCLDJFMYHZKG-UHFFFAOYSA-N 449.301 5.118 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3ccc(OCc4ccccn4)cc3)cc2)cc1 503430198 KBIQICWZAPIZCV-UHFFFAOYSA-N 435.483 5.506 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1ccc(OC)c(Br)c1 505623595 RELCCRWMTYUKGD-GFCCVEGCSA-N 443.794 5.631 30 20 IKED Cc1nc(COc2ccccc2C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cs1 505922664 KDVVDZALAMZCMZ-GOSISDBHSA-N 431.439 5.044 30 20 IKED C[C@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1cccc(NC(=O)c2ccccc2)c1 506510804 LMXWPWUILHWFGQ-KRWDZBQOSA-N 429.495 5.105 30 20 IKED N#Cc1ccc(OC2CCC(NC(=O)Nc3ccccc3COc3ccccc3)CC2)nc1 509731971 YEWVJLCGAXZNKA-UHFFFAOYSA-N 442.519 5.044 30 20 IKED CCN(C(=O)CSc1nc(-c2ccccc2)ccc1C#N)c1nc2ccccc2s1 510173428 UQVHSNPSCZIQOW-UHFFFAOYSA-N 430.558 5.375 30 20 IKED COc1ccccc1-n1c(Sc2ncc(C#N)cc2Cl)nnc1-c1cccs1 513614467 HIBRLEORZKVJLN-UHFFFAOYSA-N 425.926 5.076 30 20 IKED Cc1ccc2nc(COc3cccc(C(=O)[C@H](C#N)c4nc5ccccc5s4)c3)cn2c1 513654920 OJWWKENUSWOMCI-FQEVSTJZSA-N 438.512 5.322 30 20 IKED CC(C)Oc1cccc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 514110172 ANAZAZUXZSMSAR-FQEVSTJZSA-N 445.538 5.958 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ccc(Cl)s2)n1)c1nc(-c2ccccc2)cs1 516713772 IYPCOGDAIKKILL-GFCCVEGCSA-N 427.963 6.139 30 20 IKED Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 518128561 YENLICSGHGSOES-SFHVURJKSA-N 436.606 5.614 30 20 IKED CC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1ccccc1SC[C@@H](C)C#N 522683355 CUHSLHAODHMMIX-RDJZCZTQSA-N 431.399 5.908 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 524407702 AWRSQNPNEBZPBI-UHFFFAOYSA-N 436.855 5.651 30 20 IKED COc1cccc([C@H](CNc2c(C#N)nnc3ccccc23)c2c[nH]c3ccccc23)c1OC 524843497 QMRXVFXUTHBZIC-NRFANRHFSA-N 449.514 5.244 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)c1C 524985863 LKLNVDUGXIDULD-UHFFFAOYSA-N 449.942 5.251 30 20 IKED Cc1ncsc1-c1nc2ccccc2n1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 525284187 JSCDYVZQRFZDGF-ZDUSSCGKSA-N 447.589 5.165 30 20 IKED CC(C)(C)c1ccc(Oc2ccc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cn2)cc1 525514478 WBYDBDBIIJUBPZ-IBGZPJMESA-N 439.437 6.075 30 20 IKED Cc1cc(Br)c2oc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cc2c1 527101811 RFKJMFRRJHXPIC-AWEZNQCLSA-N 438.306 5.512 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCN(Cc3ccsc3)CC2)c1 535262341 PITBMNDTTCRBOZ-UHFFFAOYSA-N 437.952 5.023 30 20 IKED N#CCc1ccc(C(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 535464092 QELVPNFIQYGWHQ-UHFFFAOYSA-N 438.409 5.668 30 20 IKED N#CCCn1cc(CNc2cccc(CSC3CCOCC3)c2)c(-c2ccccc2)n1 537731362 YVGCINZHGHIAGD-UHFFFAOYSA-N 432.593 5.488 30 20 IKED CCc1nc2ccccc2n1C1CCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 539028535 WDMCXSZZPYNFFY-SFHVURJKSA-N 447.608 5.719 30 20 IKED Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 539182190 DYFZOUNENWPHDY-UHFFFAOYSA-N 438.531 5.091 30 20 IKED COc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1NC(C)=O 541065190 DONBTIYOIBHYAE-INIZCTEOSA-N 428.492 5.075 30 20 IKED Cc1nc(C)c(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)s1 541194614 SGRSUFHEYXRHPG-ZDUSSCGKSA-N 436.343 6.191 30 20 IKED N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCC[C@H]2c2cccc3ccccc23)n1 543767815 WIXPWKBQIQUTEC-QFIPXVFZSA-N 425.467 5.405 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 544573347 UUKHULIDMCZMDY-LKUPVBHCSA-N 427.545 5.461 30 20 IKED N#Cc1cc(NC(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)ccc1OCC(F)(F)F 548940615 KBOQRVAMDJGZEF-OAHLLOKOSA-N 435.368 5.086 30 20 IKED C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(OCC2CC2)CC1 549320735 CXLMJZFOOVDMGW-UHFFFAOYSA-N 449.624 5.349 30 20 IKED CCc1cccc2c(C3CCN(C(=O)Nc4ccccc4SC[C@@H](C)C#N)CC3)c[nH]c12 557583722 VLCHYEURWLQAIX-SFHVURJKSA-N 446.620 6.394 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCN(c2ccccc2F)CC1 562122394 XRIZRPXCDYHXFL-UHFFFAOYSA-N 444.510 5.542 30 20 IKED CC1(c2nc([C@H]3CCOc4ccccc43)no2)CCN(c2ccc(Cl)cc2C#N)CC1 564256358 CBAOZPDETHGECH-IBGZPJMESA-N 434.927 5.067 30 20 IKED CCC(CC)[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1cccs1 584381456 YKZRJDMVODRLRJ-QFIPXVFZSA-N 448.548 5.039 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)NC[C@@H](Cc3ccccc3)C(F)(F)F)s2)cc1 589314995 YAZZROKNADSNDI-GOSISDBHSA-N 444.482 5.148 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCc2ccc(C(F)(F)F)cc2)cc1C 604449071 OONXBDYHOBBZMD-UHFFFAOYSA-N 440.469 5.072 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCc2c[nH]c3cc(Cl)ccc23)cc1C 604487052 PNEKHARYYOXGPU-UHFFFAOYSA-N 445.954 5.188 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 604488199 NWONUJGZXAHMTM-HOTGVXAUSA-N 433.396 5.165 30 20 IKED C[C@@H](C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F 607789276 BINVNBUDTFSXTK-WYUUTHIRSA-N 435.330 5.835 30 20 IKED C[C@H](SCC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)c1nc2ccccc2[nH]1 609064408 UOXFDBHQPVEOJV-KRWDZBQOSA-N 442.544 5.446 30 20 IKED C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1nc2ccccc2[nH]1 609080783 UMDKIBFXQYVEFO-HNNXBMFYSA-N 445.910 5.550 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3Br)cc2F)c1 609106124 IHOPKUXZENRAFX-UHFFFAOYSA-N 425.257 5.291 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(Oc4ccc(C(N)=O)cc4)cc3)c2)cc1 609176605 SGBHONVCWXHXIW-UHFFFAOYSA-N 449.466 5.494 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3ccccc3CN3CCCC3)c2)cc1 609208760 DKXUUBGUYOXAPY-UHFFFAOYSA-N 426.520 5.268 30 20 IKED C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(F)c(Br)c1 609375248 QCDBILOJSFEIHL-CYBMUJFWSA-N 443.272 5.123 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 609378129 XGWUNABICZAQLT-QGZVFWFLSA-N 427.529 5.045 30 20 IKED COc1ccccc1SC[C@H](C)CNC(=O)Nc1ccccc1SC[C@H](C)C#N 609401961 NHBALDSPNVGRBQ-IAGOWNOFSA-N 429.611 5.497 30 20 IKED Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609427334 BLVDFFXVQGNASK-UHFFFAOYSA-N 439.519 5.129 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 609431426 NVQSAQWNFNIXIP-GFCCVEGCSA-N 439.415 5.182 30 20 IKED C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 609508377 SPBDJPLLSJADTL-OPAMFIHVSA-N 433.895 5.001 30 20 IKED CC(C)C[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)N[C@H](C)c1ccccc1 609549908 QBKQHFXKOVGFAS-HYBUGGRVSA-N 442.563 5.241 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 609772553 GPAUJULROYRRCP-LAUBAEHRSA-N 428.001 6.883 30 20 IKED C[C@H]1CCCCN1C[C@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 609845229 FPHULTVUQOTPEU-RBBKRZOGSA-N 432.568 5.469 30 20 IKED CC(C)(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc([N+](=O)[O-])cc1 610040808 IDUPRHDWUUGBIO-UHFFFAOYSA-N 429.476 5.156 30 20 IKED C[C@@H](NC(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)no1)c1cccc(C#N)c1 610357508 NZTHZBGKSRLWHM-GOSISDBHSA-N 434.515 5.468 30 20 IKED Cc1ccccc1COc1ccc([C@H](C)NC2CCN(c3ccc(C#N)cn3)CC2)cc1 610809877 GRDWACNNPILYMK-NRFANRHFSA-N 426.564 5.160 30 20 IKED N#Cc1cc(Cl)c(C(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)c(Cl)c1 611681923 YNPCQPKNLGYVSX-INIZCTEOSA-N 429.225 5.098 30 20 IKED N#C[C@H](C(=O)c1ccccc1SCC(=O)NCC1CCCCC1)c1nc2ccccc2o1 614439757 GZFRADOHAFLGHF-LJQANCHMSA-N 447.560 5.106 30 20 IKED C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 616133337 PXLMRHZINANUHV-FQEVSTJZSA-N 431.536 5.128 30 20 IKED N#Cc1cc(N2C(=O)[C@H]3CCCCCN3C2=O)ccc1Oc1ccc(C(F)(F)F)cc1 618444436 ZIWZOXAGICVNHL-GOSISDBHSA-N 429.398 5.081 30 20 IKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@H]1CCc2cc(C#N)ccc21 618749803 XGGKVALONFEQRK-QFIPXVFZSA-N 425.492 5.320 30 20 IKED O=C(Nc1nc(C(F)(F)F)cs1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642450220 UCZATIFBSWJHFS-ZMONIFLSSA-N 429.308 5.193 30 20 IKED N#C[C@@H](C(=O)c1ccccc1Oc1ccncc1)c1nc2cc(C(F)(F)F)ccc2s1 670115990 YLMDHFRDCMEOIW-INIZCTEOSA-N 439.418 5.992 30 20 IKED CCC[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)cc1F 675202471 KSBWFTHLWILYDY-PGUXBMHVSA-N 432.355 5.578 30 20 IKED C=CCN(C(=O)CN1CC[C@@H](C(F)F)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 677731293 GJIXXCFIRNTFKL-CYBMUJFWSA-N 446.350 5.223 30 20 IKED C=CCC[C@H](N[C@@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccc(C(F)(F)F)cc1 681394689 VQYZVQRVBWQGAZ-RBUKOAKNSA-N 427.463 5.360 30 20 IKED CC(=O)N(CCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)Cc1ccccc1 726322124 QGIJTOKCVJXQSP-FQEVSTJZSA-N 437.952 5.079 30 20 IKED Clc1ccc(NN=C2CCCc3nc(-c4ccc(Br)cc4)sc32)nn1 728427106 IPFDLEGHAIJGSD-UHFFFAOYSA-N 434.750 5.169 30 20 IKED CC(C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccccc1N/C=C/C(=O)C(F)(F)F 728981734 ZBSUPAMCXGOGTO-LHNRBYRGSA-N 448.441 5.051 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Oc4ccc(F)cc4)cn3)o2)cc1 729382132 GHRPJJDNRMUARG-UHFFFAOYSA-N 429.407 5.309 30 20 IKED Cc1ccc(-c2csc3nc(/C(Cl)=C\c4cccc(OCC#N)c4)nc(O)c23)cc1 730151910 TZIZJKKBEAYBNX-XDHOZWIPSA-N 433.920 6.012 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)Cc1ccccc1-2 731074354 PIROFBLXTQSLHF-KRWDZBQOSA-N 442.540 5.448 30 20 IKED C/C(=C/C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1Cl 731080416 MFMATCHWUKDVPD-UGEDRFTOSA-N 428.941 5.319 30 20 IKED CC(=O)C1=C(c2ccc(C)cc2)N(Cc2ccc(C(=O)O)cc2)C(=O)N[C@@H]1c1cccs1 731469918 DOSCAOUKVPYXQD-JOCHJYFZSA-N 446.528 5.022 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(-c3ccccc3)ccc2Cl)ccc1OC 733230849 SPYBZWSCTVOFGR-HXUWFJFHSA-N 434.923 5.627 30 20 IKED C#CCN(C(=O)Nc1ccc(CSC)cc1)[C@@H]1CCOc2ccc(Br)cc21 733631362 XNIVUTIZSYWMFN-LJQANCHMSA-N 445.382 5.303 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)c1 733771002 PBOPXPXBKDBLNS-QHCPKHFHSA-N 449.554 5.750 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)CCCSc3ccc(Br)cc3)[nH]c12 735787884 ABDIORSVNPPBNR-MRXNPFEDSA-N 428.355 5.383 30 20 IKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC(n3ccnc3)CC2)c1=S 738112611 YQWZLYRCKXCZAW-UHFFFAOYSA-N 436.629 5.056 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739590193 GVTVRQSDELZRAL-UHFFFAOYSA-N 447.541 5.432 30 20 IKED N#C[C@H](NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1)c1c(Cl)cccc1Cl 742646608 RQONAGXZYCIYBX-AWEZNQCLSA-N 446.212 5.099 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(COCc3ccccc3)cc2)c1 743191530 IMLXVXGFSBOTTI-XMMPIXPASA-N 429.520 5.406 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 744031232 UQOQBNGODFFBHW-LJQANCHMSA-N 430.504 5.604 30 20 IKED C[C@@H](Oc1cccc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1)C(=O)O 745020460 FQAFLMKWXNFXPU-OYVUYXNMSA-N 441.823 5.256 30 20 IKED C=CC[C@@H](NC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)Cc1cccs1)c1ccncc1 745827861 OHJFZTRSINKHIZ-WZONZLPQSA-N 440.012 6.257 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(CC)Cc2ccc(Cl)cc2)c1=S 746032717 HYPYZEZXWHURRH-UHFFFAOYSA-N 428.989 5.409 30 20 IKED Cc1noc(C(F)(F)F)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 746213090 OKCNDZXBKKXRJD-UHFFFAOYSA-N 435.789 5.358 30 20 IKED Cc1nc(C(=O)O[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)nn1-c1ccc(F)cc1 746437754 OFWJTNJNEGVCJX-OAHLLOKOSA-N 447.310 5.194 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc(C(=O)OC)cc1)C(=O)c1ccccc1 747149736 GPAFCUACUUVBBD-MOHJPFBDSA-N 441.527 5.503 30 20 IKED C=C(Br)CNC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 747909791 YNUIDBWDJWPVMS-GNVUBMPBSA-N 448.245 5.134 30 20 IKED N#C[C@H](C(=O)CCCOc1ccccc1Cl)c1nc(-c2c(F)cccc2F)cs1 748007298 JPNJALBBJRFDMA-CYBMUJFWSA-N 432.879 5.777 30 20 IKED CCc1nc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nn1-c1ccccc1Cl 748176213 RLPBUHMZSKTKQE-FQEVSTJZSA-N 441.922 5.391 30 20 IKED O=C(/C=C\c1ccc(-n2cncn2)c(F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 750916992 QOWROBJJVNYXJA-RQOWECAXSA-N 429.295 5.340 30 20 IKED Cc1ccc(C)c(NC(=O)Cc2nc(CON=C(c3ccccc3)C(F)(F)F)cs2)c1 751955752 ULZJVEHKDBNSEP-UHFFFAOYSA-N 447.482 5.424 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3cccnc3)c(C)c2)cc1C#N 752211586 WOFQTMRYJYVTQC-UHFFFAOYSA-N 431.452 5.266 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](c2ccccc2)c2cccc(F)c2)ccc1OC 756029253 CKBABTAUCKLNEN-DHLKQENFSA-N 447.510 5.104 30 20 IKED N#CCCCOc1cccc(/C=C2/COC/C(=C/c3cccc(OCCCC#N)c3)C2=O)c1 759611174 AWAKNHSWMPOHOW-MPKYGIEOSA-N 442.515 5.118 30 20 IKED Sc1nnc(-c2cccc(Br)c2)n1N=Cc1cc(Cl)cc2cccnc12 763151706 ACRHKNODIBDYAO-UHFFFAOYSA-N 444.745 5.080 30 20 IKED CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)ccn1 766148792 QATYOONQRYEYIM-UHFFFAOYSA-N 444.491 5.023 30 20 IKED C[C@H](CNC(=O)OC(C)(C)C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 769228478 SYAPLXQWXHINAV-BEFAXECRSA-N 442.947 5.030 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 773275266 NQDCYKOKCJPSET-LKUPVBHCSA-N 427.545 5.197 30 20 IKED N#CCOc1ccccc1C(=O)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1 781447620 KEJWGMYMWFOXDY-UHFFFAOYSA-N 435.892 5.897 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)ccc1OC 782678485 YRMUECQRISXSJJ-INIZCTEOSA-N 447.482 5.153 30 20 IKED C[C@@H](NC(=O)c1ccccc1N(C)C(=O)c1ccco1)c1ccc(-c2cccc(C#N)c2)cc1 782828722 HFUSBZHBRQDRNA-LJQANCHMSA-N 449.510 5.586 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2sc3c(c2C#N)CCCCCC3)nc1 791523028 DETLETGALKLQFP-UHFFFAOYSA-N 440.569 5.202 30 20 IKED CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1ccccc1O[C@H](C)C#N 792399972 UBZPSFCRUHSYLX-OPAMFIHVSA-N 441.959 5.205 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CC[C@@H](Sc3cccc(Cl)c3)C2)c1=S 793787644 DPSSBZOTXBPXPM-LJQANCHMSA-N 444.029 5.140 30 20 IKED Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC(F)(c2ccccc2C(F)(F)F)CC1 799142427 SHWJAQOENYISHR-UHFFFAOYSA-N 443.448 5.062 30 20 IKED C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)Nc1ccc(OC(F)(F)F)c(C#N)c1 799739413 XDODEVFFNACGEV-NSHDSACASA-N 431.336 5.305 30 20 IKED CC1(C(=O)OCc2ncc(-c3cccs3)o2)CCN(c2ccc(Cl)cc2C#N)CC1 805596065 GLLWZWXFVLIYDF-UHFFFAOYSA-N 441.940 5.278 30 20 IKED C=CCn1c(-c2cccs2)nn(CN2CCCC[C@H]2c2nnc(C3CCC3)o2)c1=S 808241769 XNNNNJRQZCYYNG-INIZCTEOSA-N 442.614 5.164 30 20 IKED CCCOc1nc2ccccc2cc1/C=C\C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813211071 CRFGSDOOZCNZOR-JTHGQSKGSA-N 425.410 5.327 30 20 IKED C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2cc(Br)cs2)no1 904397753 JFVKYQVOQBVLNX-SNVBAGLBSA-N 434.743 5.269 30 20 IKED C[C@@H](SCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nc2ccccc2[nH]1 915179959 JWXCDODPOILBNS-DYESRHJHSA-N 426.545 5.651 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 915353801 XOQILVCFPWUASV-BJKOFHAPSA-N 439.515 5.482 30 20 IKED Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915863009 RDQPFTCEANXDPY-SANMLTNESA-N 438.506 5.465 30 20 IKED COc1cc(C(C)=NNc2ncnc3sc(-c4ccccc4)cc23)cc(OC)c1OC 916312405 WHPNGEWZWGZZCC-UHFFFAOYSA-N 434.521 5.220 30 20 IKED Cc1nn(-c2ccc(Br)cc2)c(C)c1C=NNc1ccc(C(F)(F)F)cn1 917533654 KZOZNOKWFPTITP-UHFFFAOYSA-N 438.251 5.111 30 20 IKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CC2)c1 917715460 YGILRFJFJNQOOP-FQEVSTJZSA-N 425.529 5.072 30 20 IKED C=CCc1ccc(OC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(OC)c1 919680763 MOVHCPSRJZJWAN-INIZCTEOSA-N 433.464 5.119 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cc1 919910032 IABJOERPSJZYSZ-VWLOTQADSA-N 427.504 5.328 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 920109962 LEIJEYCCNBYCHV-GOSISDBHSA-N 449.297 5.293 30 20 IKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2cccc(C)c2C)s1 920174957 XQSYEJGTEXEOQR-JXFKEZNVSA-N 441.622 5.035 30 20 IKED Cc1c(C(=O)/C=C/c2ccc(OCc3ccncc3)cc2)nnn1-c1cccc(Cl)c1 920389652 QZOJHWWMJLWLIK-JXMROGBWSA-N 430.895 5.099 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc[nH]c4cc3Cl)CCC2)cc1 1785934776 BSEFVCIRYMCIRV-UHFFFAOYSA-N 434.927 5.119 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(CC(C)C)nn3C)CCC2)cc1 1789451576 MBNOBVRWQVFDQQ-QHCPKHFHSA-N 448.611 5.135 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CNc3ccccc3C)CCC2)cc1 1789451579 MGSOHZSCEHELQX-QHCPKHFHSA-N 431.580 5.309 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3nccc4occc34)CCC2)cc1 1789626305 RUVWRAOALRTIJU-UHFFFAOYSA-N 431.536 5.568 30 20 IKED C#CC(=O)Nc1ccc(C2(NC(=O)c3cc4scc(-c5ccccc5)c4[nH]3)CCC2)cc1 1791203282 WCNHZPLFUUQWEL-UHFFFAOYSA-N 439.540 5.277 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4c(Cl)cccc34)CCC2)cc1 1791253350 CMRDDPTXJBHUIQ-OAHLLOKOSA-N 436.943 5.176 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)n4cccc4)cc3)CCC2)c1 1791792286 WQLDCMHGWHTUPC-WOJBJXKFSA-N 440.547 5.124 30 20 IKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)c(F)cc4F)CCC3)cc2)CCC1 1792233558 QTYQLKZIXXVSFW-UHFFFAOYSA-N 443.881 5.060 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OC(C)C)c(Cl)c1)C2 1798591912 PLEZRVKPYXZKOD-ACDBMABISA-N 447.019 5.371 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)c(F)c1 1800405641 YYOKHCQWZANAQC-BJWYYQGGSA-N 440.481 5.089 30 20 IKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c(C)c1Cl 1803530453 ISXBSJTURYEBCH-BCDXTJNWSA-N 435.395 5.322 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(F)c(C(F)(F)F)c1 1803857064 DHDHGGDQSFCFKX-BJWYYQGGSA-N 440.481 5.089 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(C)ccc3[nH]2)n[nH]1 1818564123 CSHRPLSAPKMPBV-CVDCTZTESA-N 445.567 5.274 30 20 IKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(ccc4ncccc43)s2)n[nH]1 1820095373 CKMFQHMMRFMAFV-IBGZPJMESA-N 445.548 5.055 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cc(C)cs2)CC1 1825207490 BEJNAJDIFLZJOE-RPWUZVMVSA-N 442.669 5.377 30 20 IKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)[C@@H](C)CC)CC1 1826421992 DSAHQEDYZHNTPO-LNBJVWSJSA-N 436.640 5.240 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3sccn3c2)CC1 1828825607 YPOUWLUMGDJSKX-FGZHOGPDSA-N 439.625 5.003 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)c2cccs2)CC1 1828829709 MJWZTXAYILGAMR-CEMLEFRQSA-N 428.642 5.240 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)c(F)c2)CC1 1829067798 XWPHXGFNTGMNMG-QHCPKHFHSA-N 446.582 5.119 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)c(F)c2)CC1 1829964041 OUMAGFXADULIIK-XMMPIXPASA-N 426.576 5.136 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(OCC)c2)CC1 1830106430 WCTSKHREMKVQGR-RUZDIDTESA-N 438.612 5.087 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(F)c2)CC1 1830507157 LKDCQFUSXHHYKJ-RPWUZVMVSA-N 426.576 5.136 30 20 IKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)c(Cl)c1 1832607674 OOCKANXPMLUEPG-XMMPIXPASA-N 449.982 5.067 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc(F)c2F)CC1 1832639060 HHJXYAMUZHRWGQ-SIKLNZKXSA-N 448.529 5.106 30 20 IKED Cc1ccc(-c2nnc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)n2-c2ccc(C)cc2)cc1 10263612 MDVFJHZZYISEDU-KBMIEXCESA-N 447.608 5.086 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccc(F)cc1 16835760 GCFMOTAUAJPIPZ-AWEZNQCLSA-N 430.936 5.351 30 20 IKED Cc1cc(C)c(NC(=O)CNC(=O)c2ccccc2Sc2ccccc2C#N)c(C)c1 36339054 YHARAFRNTPVXLC-UHFFFAOYSA-N 429.545 5.003 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1cccc(OCc2ccc(F)cc2)c1)c1ccccc1 110944413 KJQWKLRIBJVLEL-UHFFFAOYSA-N 445.494 5.070 30 20 IKED C=CCNC(=O)Nc1ccc(NCc2ccc(OCc3cn4cccc(C)c4n3)cc2)cc1 237857895 CZTBNCVHEPSQFN-UHFFFAOYSA-N 441.535 5.141 30 20 IKED COc1ccccc1N(C(C)=O)c1nc(CN[C@@H](CCCC#N)c2ccccc2)cs1 433021897 ZLHIYFFNKPLCOE-NRFANRHFSA-N 434.565 5.361 30 20 IKED COc1ccc(Br)cc1[C@H]1CCCN1C(=O)N[C@@H](CCC#N)c1ccccc1 438836064 DYFYPXBFRBNIST-VQTJNVASSA-N 442.357 5.349 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1ccc2oc(CC(C)(C)C)nc2c1 439596533 PCKWAOSPSFEMOU-QGZVFWFLSA-N 434.540 5.172 30 20 IKED N#CCC[C@H](NC(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1)c1ccccc1 439659453 FXDCGXKIMNYAID-IBGZPJMESA-N 444.482 5.144 30 20 IKED CCn1c([C@@H]2CCCN2C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)nc2ccccc21 442188868 AYTHCRLWQAPIEZ-SFHVURJKSA-N 443.429 5.195 30 20 IKED C=CC[C@@H]1N(C(=O)CCc2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)CCCC1(C)C 444648580 YNJTYHIXXNYICI-QAPCUYQASA-N 427.614 5.048 30 20 IKED COCCN(C(=O)c1ccc(Oc2ccc(C(C)(C)C)cc2)nc1)c1ccc(C#N)cc1 460360677 RNSASWVSJLEUPM-UHFFFAOYSA-N 429.520 5.336 30 20 IKED N#Cc1ccccc1Oc1ccc(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1F 463231130 LKSJQLLMMUJHFU-UHFFFAOYSA-N 431.383 5.060 30 20 IKED N#Cc1cc(NC(=O)c2ccc(NC(N)=O)cc2)ccc1Oc1ccc(C(F)(F)F)cc1 464294236 JYTRCYFCSRBRDJ-UHFFFAOYSA-N 440.381 5.112 30 20 IKED C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 470541783 CNEONFAXVZCCPH-HXOBKFHXSA-N 434.515 5.024 30 20 IKED O=C1C[C@H](C(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c2ccc(F)cc2N1 474261434 ZHGFZGOLLHCLHW-GOEBONIOSA-N 448.338 5.080 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2oc3ccccc3c2CSc2ncccn2)n1 474439010 LQWSBRNUYLZOMH-OAHLLOKOSA-N 434.546 5.585 30 20 IKED Cc1ccc(I)cc1C(=O)Nc1ccccc1SC[C@H](C)C#N 477113305 SNMRIIARFKQUTP-GFCCVEGCSA-N 436.318 5.104 30 20 IKED C[C@@H](CNC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2)C(F)(F)F 479369589 BCAYDGDNLYZIMH-BAPPCMJTSA-N 439.362 5.423 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1ccccc1-c1ccccc1C#N 479789628 PAZHVXNUEZGJDR-CQSZACIVSA-N 426.442 5.092 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccc(Oc3ccncc3)cc2)nnc1-c1ccco1 481216337 YMVXPWYUXLJZDQ-UHFFFAOYSA-N 447.520 5.032 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SC[C@H](O)Cc1ccc2ccccc2c1 481731699 CXARMLFUFWZFKQ-OAQYLSRUSA-N 449.551 5.031 30 20 IKED Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 482576479 GVWGYVXTJLISNU-AWEZNQCLSA-N 439.315 5.573 30 20 IKED N#Cc1ccc(SCC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cc1 483702054 SSBIDCWPBFXPTB-UHFFFAOYSA-N 442.371 5.581 30 20 IKED Cc1nc(C(=O)N[C@H](CCCC#N)c2ccccc2)nn1-c1c(Cl)cccc1Cl 487367848 CYYOPFNQYYEBKE-GOSISDBHSA-N 428.323 5.048 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(COC4CCOCC4)c3)cc2)c1 487750232 MIVLGVRTRBHBAV-UHFFFAOYSA-N 428.488 5.298 30 20 IKED C=CCn1c(SCC(=O)Nc2cccc(Oc3ccccc3)c2)nnc1-c1ccccn1 488904075 BUJLQWCBIYFXNW-UHFFFAOYSA-N 443.532 5.049 30 20 IKED C=CCn1c(SCC(=O)c2cc(C)n(CC(F)(F)F)c2C)nnc1-c1ccccc1C 488907781 JWWCYFLXXDVYEZ-UHFFFAOYSA-N 448.514 5.395 30 20 IKED N#CCCCn1cc(C(=O)Nc2cccc(S(=O)(=O)C3CCCCC3)c2)c2ccccc21 491790888 UJRQGMCIWLFLML-UHFFFAOYSA-N 449.576 5.304 30 20 IKED Cc1sc2ncnc(SCC(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)c2c1C 505336821 DMBUUBDUPYTOKZ-CYBMUJFWSA-N 437.377 5.088 30 20 IKED CC(C)(C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1cc(F)cc(C#N)c1 507749522 RRFJJGFQDJCTLQ-UHFFFAOYSA-N 425.847 5.112 30 20 IKED Cc1c(C(=O)Nc2ccccc2N2CCC(CN(C)C)CC2)sc2ccc(C#N)cc12 509729649 QBCVMQOQTKQHRJ-UHFFFAOYSA-N 432.593 5.112 30 20 IKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc2ccccc12 511324700 XADCIFLTPLNPKW-HXUWFJFHSA-N 435.527 6.368 30 20 IKED COCCn1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c2ccccc21 512798376 VUBSOHYHPPQYRJ-UHFFFAOYSA-N 439.515 5.185 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(F)cc2nc(C)c(C)nc12 512869479 STMLGUZMOMIQRZ-UHFFFAOYSA-N 426.451 5.610 30 20 IKED N#C[C@@H](C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(C(F)(F)F)cn1 513215210 VBURNYCIJYOGBI-LJQANCHMSA-N 432.405 5.443 30 20 IKED Cc1ccc(Cn2cc(C(=O)[C@H](C#N)c3nc(C)cs3)c(-c3ccc(C)cc3)n2)cc1 513656034 WTFNMCDPVHFHRB-NRFANRHFSA-N 426.545 5.470 30 20 IKED CCCOc1c(Br)cc(C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1OC 513687282 PIXKOANIURYTGD-ZDUSSCGKSA-N 445.338 5.346 30 20 IKED C=CCN(C(=O)CCCc1c[nH]c2ccccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 515327645 JJMWJZAFCRUUEF-UHFFFAOYSA-N 446.532 5.742 30 20 IKED C=CCN(Cc1cccs1)C(=O)Cc1csc(-c2cc(Br)cs2)n1 515642085 ZQFHXRYQMAYKNS-UHFFFAOYSA-N 439.425 5.453 30 20 IKED CSc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1NC(C)=O 515656227 QDEGWCPIPASGQG-UHFFFAOYSA-N 445.544 5.264 30 20 IKED C[C@@H]1CCc2[nH]c3ccc(C(=O)[C@@H](C#N)c4nc(-c5ccc(C#N)cc5)cs4)cc3c2C1 516270413 XQPMZWSKAVTGPS-QVKFZJNVSA-N 436.540 5.778 30 20 IKED Cc1ccc(OCCCCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 516508547 FLONELCSQXMNBG-UHFFFAOYSA-N 430.573 5.748 30 20 IKED CC(=O)Nc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1F 516710698 OPSFODCJWLZCBC-AWEZNQCLSA-N 448.306 5.704 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 517528942 AYKAZEOCSZLGIK-HUUCEWRRSA-N 437.487 5.905 30 20 IKED COc1ccc(Cn2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)cn2)cc1 518304760 JMFNTPUIWNPOCC-UHFFFAOYSA-N 438.487 5.165 30 20 IKED Cc1ccc(N(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C2CCCCC2)nc1 520315118 DLMTZIWSSXETIB-UHFFFAOYSA-N 425.532 6.228 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCCC[C@@H]2c2ccccc2C(F)(F)F)c1 520328943 RANHTVDNTNANEZ-JOCHJYFZSA-N 430.470 5.880 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 523964186 VQAJZDRWWRTODB-QXNWPYRLSA-N 438.593 5.182 30 20 IKED Cc1ccc(C[C@@H](NCc2cccc(OCc3cccc(C#N)c3)c2)c2ccccn2)cc1 524550862 JSRWZCIVCPTJTI-GDLZYMKVSA-N 433.555 5.914 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cnc(-c2ccncc2)s1 525048131 WGVCURZSZSAPQK-UHFFFAOYSA-N 434.468 5.482 30 20 IKED C[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)C1CCN(CC(F)(F)F)CC1 525936427 FAEZIMABAQRFDY-INIZCTEOSA-N 447.526 5.102 30 20 IKED Cc1cccc(CN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)Cc2ccco2)c1 532659969 RZRUCMAVVMELOK-HXUWFJFHSA-N 433.577 5.481 30 20 IKED C[C@@H](C(=O)N[C@@H](C#N)c1ccc(Br)cc1)c1cccc(C(=O)c2ccccc2)c1 535584828 FLIJPMRPCZZRFU-ZHRRBRCNSA-N 447.332 5.165 30 20 IKED CCOc1ccc(NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)c(C(F)(F)F)c1 537298952 SKWIVKIZKPYPAY-UHFFFAOYSA-N 441.299 5.559 30 20 IKED C=CCN(Cc1ccccc1)C(=O)[C@H]1CC[C@H](C(=O)N(CC=C)Cc2ccccc2)CC1 537578227 RESHWCDFRIQMBT-DIVCQZSQSA-N 430.592 5.222 30 20 IKED N#C[C@@H](C(=O)c1ccc(-n2ccnc2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 539465265 FUTKQLZSDUPCAD-KRWDZBQOSA-N 439.327 5.793 30 20 IKED N#C[C@H](C(=O)c1ccc(C2(C#N)CC2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 540779731 ZHEHXBOGVFHFMZ-QGZVFWFLSA-N 438.339 6.162 30 20 IKED CC(=O)N1CC[C@@H](NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c2ccccc21 541147344 BMAOWTVUURBYHB-AVRWGWEMSA-N 438.531 5.083 30 20 IKED Cn1cnc(-c2cccc(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)c2)n1 541243615 TWLRZNGBGHLCHV-UHFFFAOYSA-N 429.867 5.052 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1F)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 542025393 JQUVOIAEUUGLRW-MRXNPFEDSA-N 436.327 5.469 30 20 IKED FC(F)(F)c1cc([C@H](NCc2nc(C3CC3)cs2)C(F)(F)F)cc(C(F)(F)F)c1 542255679 LASZBXMUAOZSIN-AWEZNQCLSA-N 448.354 6.451 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2-c2ccno2)cc1Cl 542935736 ULVBWLXENYLUCC-HXUWFJFHSA-N 449.919 5.451 30 20 IKED C[C@H](NC(=O)N[C@H](C)[C@H]1CCCN(C2CCC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 543017916 YYEUPGCQOZPBOD-DFIYOIEZSA-N 430.596 5.238 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 543883264 DXMGLJODEXXQSV-GJZGRUSLSA-N 437.491 5.023 30 20 IKED CN(C)C(=O)c1ccc(-c2noc(-c3ccc(Oc4ccccc4C#N)c(Cl)c3)n2)cc1 545614258 OCYAIMAAXYRVGO-UHFFFAOYSA-N 444.878 5.423 30 20 IKED CC(C)Cn1cc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c(C(F)F)n1 553435463 BMOFFWPEFZLURG-UHFFFAOYSA-N 449.933 5.247 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NC3(Cc4ccccc4Br)CC3)cc2)nc1 553784075 MGQFIQXXPZMFTB-UHFFFAOYSA-N 448.320 5.013 30 20 IKED CC(C)Cn1ccc2cc(NC(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)ccc21 554225901 VFMKSPWZILVMSO-UHFFFAOYSA-N 434.515 5.383 30 20 IKED N#CCCN(C(=O)c1cccc(C(=O)Nc2ccccc2)c1)C12CC3CC(CC(C3)C1)C2 558160499 CUNYAKOIUHPDNW-UHFFFAOYSA-N 427.548 5.264 30 20 IKED C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 560761652 QHTOQLXBFAFGKC-AWEZNQCLSA-N 435.326 5.253 30 20 IKED C=CCn1c([C@H]2COCCO2)nnc1N(Cc1ccc(-c2ccccc2C)s1)C(C)C 563915679 LJWBYWFNBOYKSD-OAQYLSRUSA-N 438.597 5.004 30 20 IKED N#Cc1ccc(NC(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)cc1F 565626707 OHKJJNWSHJFWFC-MRXNPFEDSA-N 425.508 5.005 30 20 IKED O=C(Nc1cc(F)c(OC(F)F)cc1F)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 571564322 IKKRZABJECHQEM-UHFFFAOYSA-N 425.275 5.394 30 20 IKED COc1ccc([C@H](CCC#N)N[C@H]2CCCc3c2[nH]c2ccc(Br)cc32)cc1 572319137 IBHRADGLFQJEAC-UNMCSNQZSA-N 438.369 5.951 30 20 IKED C[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@H]1OCCc2sccc21 576012649 BIBDIYDTVPRSNC-IQMFZBJNSA-N 436.508 5.226 30 20 IKED O=C(Nc1ccccc1C#Cc1ccccc1)N1CCCC[C@H]1c1nnc(C2CCC2)o1 581907912 LICBHBMMJJFSNI-QHCPKHFHSA-N 426.520 5.496 30 20 IKED N#Cc1ccc(NC2CC2)c(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 586819380 SPOPLXWAFYICCS-UHFFFAOYSA-N 442.466 5.456 30 20 IKED CCn1cc(Br)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 588737006 GEFLXVAQLHRGAP-AWEZNQCLSA-N 434.746 5.537 30 20 IKED C=C(C)COc1cccc(NC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)c1 589738939 FZEVWJKCWHDBQN-UHFFFAOYSA-N 433.483 5.355 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](CCc2ccccc2)c2ccccc2)c1 589802489 JEMDQPDFLLZTIR-RUZDIDTESA-N 428.532 5.070 30 20 IKED C=C(C)CN1CCC(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)CC1 592076537 CPBVDRVGMNUWFF-UHFFFAOYSA-N 437.534 5.202 30 20 IKED N#C[C@H](C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1nc2cc(F)ccc2s1 592973874 KUGZTTBVDQVNCO-CYBMUJFWSA-N 447.438 6.068 30 20 IKED O=C(Nc1ccc(C(F)(F)F)cc1Cl)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 601181684 CQIFLPVMVMKCBU-RKDXNWHRSA-N 442.709 5.953 30 20 IKED Cn1cc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)c(-c2ccc(C#N)cc2)n1 602761567 UHHGSIRJDONRNK-DEOSSOPVSA-N 439.906 5.383 30 20 IKED COc1ccc([C@@H](NCC(=O)Nc2sc3c(c2C#N)CCCCC3)c2ccccc2)cc1 603901210 HDZSUXLAUPTKFU-VWLOTQADSA-N 445.588 5.215 30 20 IKED Cc1sc(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)c(C#N)c1C 603948041 YAQXBJYTSSTDHM-ZJSXRUAMSA-N 443.572 5.355 30 20 IKED Cc1ccc(C)c(OC2CCN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)CC2)c1 609058546 BLIPMTIDTZOYGT-UHFFFAOYSA-N 430.504 5.031 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)CCSc2ccccc2Br)c1 609067123 UODRENRPHUFIJJ-UHFFFAOYSA-N 427.270 5.043 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 609083019 LGZCURGPJNXABR-URLYPYJESA-N 445.310 5.191 30 20 IKED CC(C)n1cc([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cn1 609573074 YJUSEMJATCMQIX-MRXNPFEDSA-N 437.931 5.451 30 20 IKED N#Cc1ccc(F)cc1CN1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 610728696 FGNPPTPFVSPRFE-RUZDIDTESA-N 434.559 5.386 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC3(CC2)OCc2ccccc23)cc1 610743092 HLCKZSWDGZMFPH-UHFFFAOYSA-N 425.488 5.404 30 20 IKED N#CCCn1cc(CNc2cccc(NC(=O)c3cccs3)c2)c(-c2ccccc2)n1 610909695 KOOSDAPZGWROGE-UHFFFAOYSA-N 427.533 5.390 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(c4ccccn4)CC3)c2)cc1 611093926 ORXKLSQAXWOCFV-UHFFFAOYSA-N 426.520 5.138 30 20 IKED N#C[C@H](C(=O)c1ccc(C(F)(F)F)cn1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346549 LLFGIEONQBMODT-GFCCVEGCSA-N 442.249 6.021 30 20 IKED N#C[C@@H](C(=O)c1cccn1Cc1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 613403526 DOFJSJQJFUTLBF-INIZCTEOSA-N 425.435 5.655 30 20 IKED CC(C)(C)OCc1ccc(NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 615379456 TWYFYQPLVWCLCX-UHFFFAOYSA-N 443.503 5.243 30 20 IKED C=CCn1c(S[C@@H](C(=O)N2c3ccccc3C[C@@H]2C)C(C)C)nnc1-c1ccoc1C 639394169 FARBTPQCGPEASZ-HRAATJIYSA-N 436.581 5.127 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(NC(=O)c4cccs4)cc3)n2)cc1 642281267 USDVPFOLOBPSFD-LJQANCHMSA-N 443.553 5.922 30 20 IKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2cccs2)c1)c1nc(-c2ccccc2)cs1 642281651 OAQAXRKKFXXXGF-SFHVURJKSA-N 429.526 5.614 30 20 IKED C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1Cc2cccc(Br)c2C1 642718348 ZRGASMOSBWUYBS-LPHOPBHVSA-N 445.405 5.056 30 20 IKED Cn1c(C(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc2cc(C(F)(F)F)ccc21 674460008 AKKLYFFRQKHHGG-GHMZBOCLSA-N 432.286 5.010 30 20 IKED Cc1cc(F)c2nc(O)cc(C(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2c1 679279628 GBNJMYVTUHKSBA-NXEZZACHSA-N 438.343 5.027 30 20 IKED COc1cc(C=NOCc2nnc(-c3c(Cl)cccc3Cl)o2)ccc1OC(F)F 726594354 JVMBGJHGGFPNMA-UHFFFAOYSA-N 444.221 5.204 30 20 IKED CCOc1c(OC)cc(/C=C2/CCc3nc(-c4ccc(F)cc4)sc3C2=O)cc1OC 727685445 NNCNXTYSKZYGCI-WJDWOHSUSA-N 439.508 5.578 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 730245523 MPYREZPJTNIBMJ-GOSISDBHSA-N 449.551 5.116 30 20 IKED N#C[C@H](C(=O)COc1ccc(Br)cc1Cl)c1nc2cc(F)ccc2s1 730421904 RHZZIUUGXNGELV-LLVKDONJSA-N 439.693 5.107 30 20 IKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CCC2)c1C 730460082 UKQRWPVAQKKTOC-HXUWFJFHSA-N 443.519 5.094 30 20 IKED N#C[C@@H](C(=O)COc1ccccc1OCc1ccccc1)c1nc(-c2ccccc2)cs1 730922054 KVMZIYMHHJZWKT-NRFANRHFSA-N 440.524 5.644 30 20 IKED N#CCOc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccccc2Cl)cc1 731159515 SCBCRPFDADAQNA-UHFFFAOYSA-N 447.947 5.293 30 20 IKED Cc1ccc(CC(=O)Nc2cccc([C@@H](C)OC(=O)CCc3ccc(C#N)cc3)c2)cc1 731302013 QRZDUDUTWKSZBR-HXUWFJFHSA-N 426.516 5.285 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](c3ccccc3)N3CCCCC3=O)n2)cc1 733679769 NUSVVGRGKZGQDX-NZQKXSOJSA-N 429.545 5.049 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)C2(c3ccc(Br)cc3)CCCC2)c1 733771666 YSRZDHCSNQZDMW-FQEVSTJZSA-N 441.369 5.258 30 20 IKED Cc1cc(S(=O)(=O)O[C@@H](Cc2ccc(Cl)cc2)C(F)(F)F)c2ncccc2c1 734153604 KPZPZRLEGMAKMI-KRWDZBQOSA-N 429.847 5.076 30 20 IKED O=S(=O)(O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1ccc(Br)s1 734154185 WDRLZBTYCXWYIZ-JTQLQIEISA-N 449.697 5.043 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)C3CCOCC3)cc2)c1 734649267 AVDHGXSSODJGOK-VWLOTQADSA-N 427.504 5.640 30 20 IKED C=CC[C@@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1)c1ccncc1 734679840 PROMACZIBNEIBL-BVAGGSTKSA-N 443.547 5.073 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCCC(F)(F)F)cc1 743734943 FBLPPWUNCAUSJP-SFHVURJKSA-N 449.498 5.298 30 20 IKED O=C(NCc1cccc(F)n1)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F 748611331 KKGSULZNJUAFML-UHFFFAOYSA-N 427.345 5.216 30 20 IKED COc1cccc(-c2nn(C(C)(C)C)cc2/C=C/C(=O)c2ccc3c(c2)CCC(=O)N3C)c1 754690360 RPKVQCKSZQXYIG-JLHYYAGUSA-N 443.547 5.119 30 20 IKED C[C@H](Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 754888664 WIHGFXLJSJQCAN-ZWOKBUDYSA-N 434.609 5.316 30 20 IKED CCOc1ccc(-n2c(SC[C@H](O)c3ccc(C#N)cc3)nnc2-c2ccccc2)cc1 763232610 PRIAJUQVSUXVMC-QHCPKHFHSA-N 442.544 5.030 30 20 IKED N#C[C@H](C(=O)Cc1ccc(OCCOc2ccccc2)cc1)c1nc2ccccc2s1 765909978 HOGXVKDNIYNKSQ-OAQYLSRUSA-N 428.513 5.173 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)nnc1-c1ccccc1C 768410695 GSGRSDIXOCPGJQ-LJQANCHMSA-N 447.608 5.159 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(Br)c(C(F)(F)F)c1 768762484 IOHMXKKSKNECGH-LBPRGKRZSA-N 445.622 5.082 30 20 IKED CCOc1cc(/C=C\C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1O 770484433 ACQVLIAJLQKKDR-QBFSEMIESA-N 430.479 5.044 30 20 IKED CCCN(C(=O)c1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C)C(C)C 771524137 DQIABRXELXYDHC-UHFFFAOYSA-N 434.584 5.509 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)Nc3ccccc3O[C@H](C)C#N)cc12 780151986 PLULQVUREHUAFV-CYBMUJFWSA-N 436.924 5.592 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c1 784531966 UMGVDMDACYQTPU-SFHVURJKSA-N 440.421 5.379 30 20 IKED C#CCOc1ccccc1NC(=O)C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1 785222975 QWWRHQVIFXLRNM-GOSISDBHSA-N 430.529 5.129 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(O[C@H](C)c2ccccc2)cc1 788349945 AHPIQTTXFFDNMC-XMSQKQJNSA-N 428.488 5.186 30 20 IKED N#C[C@@H](C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1cnc2ccccc2n1 792114739 NRLQYDCIGLASRK-HXUWFJFHSA-N 446.466 5.047 30 20 IKED CSc1nc(C2CC2)cc(C(=O)O[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)c1C#N 792734661 MLJLVMIYWINDET-HNNXBMFYSA-N 437.565 5.168 30 20 IKED C[C@@H](OC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 795821501 AOABUSSPYYNZNW-MLGOLLRUSA-N 440.343 5.583 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(Cl)cc2)c1 796748180 QJGHWXKBLFRLSJ-HXUWFJFHSA-N 436.964 6.154 30 20 IKED O=C(N1CCC(F)(c2ccccc2OC(F)(F)F)CC1)C12CC(C(F)(F)F)(C1)C2 799035731 JWEHDYUZJRDRTO-UHFFFAOYSA-N 425.344 5.105 30 20 IKED CCOC(=O)Oc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 799925309 IQVNYQBUSOBYOE-UHFFFAOYSA-N 432.432 5.147 30 20 IKED O=C(Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F)[C@@H](F)c1ccc(C(F)(F)F)cc1 801693827 VISDCUZFXCXHGW-KRWDZBQOSA-N 448.338 5.196 30 20 IKED C=CCn1c(=S)n(CN2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)c2ccccc21 808242055 QCCYADMHZCQXGJ-MRXNPFEDSA-N 437.491 5.031 30 20 IKED C#C[C@@H](NC(=O)c1oc2ccccc2c1CSc1nnc(C)s1)c1ccc(F)cc1 812751592 XAUSQOCTGKVJAB-GOSISDBHSA-N 437.521 5.128 30 20 IKED COc1ccc([C@H](O)C2CCN(CCC(C#N)(c3ccccc3)c3ccccc3)CC2)cc1 812858362 HYROPEFVBXXDQE-NDEPHWFRSA-N 440.587 5.341 30 20 IKED C[C@@H](CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1ccc(F)c(Br)c1 813068183 WSCQXNIXRGXINS-GWCFXTLKSA-N 435.293 5.707 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1 813153525 SHAYEFULYZLIQM-ZDUSSCGKSA-N 427.476 5.295 30 20 IKED C[C@H](Cc1cnc2ccccc2n1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 815925872 UKPRRBYWELMZAL-HIFRSBDPSA-N 434.471 5.087 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)cc1 837837897 IQVALIYTZKYRKD-GCJKJVERSA-N 444.560 5.112 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ncccc2C(F)(F)F)cs1 915050666 YQZUOLVUEXGEPT-UHFFFAOYSA-N 439.850 5.341 30 20 IKED C#CCOc1ccc(/C=C(/Cl)c2nc(=O)c3ccc(C(F)(F)F)cc3[nH]2)cc1OCC 916128110 RNBHGGCRJQXIDZ-MHWRWJLKSA-N 448.828 5.090 30 20 IKED N#C[C@H](C(=O)CCCOc1ccc(Cl)cc1)C(=O)Nc1ccc(SC(F)F)cc1 916886413 HASLYZGQACRBMW-QGZVFWFLSA-N 438.883 5.161 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccc(-c2ccc(Br)cc2)s1 916900943 ZPDSNONTPFPNKW-INIZCTEOSA-N 425.307 5.139 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)ccc1OCc1ccccc1 917026179 XFJCZXWPKDJTHA-NRFANRHFSA-N 440.524 5.888 30 20 IKED N#C[C@H](C(=O)/C=C/c1ccc(Br)o1)c1nc2cc(C(F)(F)F)ccc2s1 917044830 VITPUBJMEODOCL-JRBALWBOSA-N 441.228 5.560 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cc(-c2ccccc2)cs1 917535380 BHMBDQRQIZOODE-UHFFFAOYSA-N 427.554 6.044 30 20 IKED COc1ccc(Cl)cc1C(=O)/C=C\c1csc(N(C(C)=O)c2ccc(F)cc2)n1 917560235 TUYCCIHCSMZYSQ-TWGQIWQCSA-N 430.888 5.525 30 20 IKED Cc1ccc(Cn2nc(C)c(C(=O)Nc3sc(-c4ccccc4)cc3C#N)c2Cl)cc1 917711640 CCVQMFXTQBTAIL-UHFFFAOYSA-N 446.963 6.054 30 20 IKED COc1cc(/C=C\C(=O)c2c(C)[nH]c3ccccc23)c([N+](=O)[O-])cc1OCC(F)(F)F 921265688 PLGVYLKAKNKXTM-FPLPWBNLSA-N 434.370 5.230 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)Cc4c(F)cccc4Cl)CCC3)cc2)C1 1785803501 NVBQQQVBMUNSDH-UHFFFAOYSA-N 426.919 5.122 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@@H]4c4ccc(Cl)cc4)CCC3)cc2)C1 1785807897 UBCXHRYYALRLLG-PKTZIBPZSA-N 434.967 5.544 30 20 IKED C[C@@H](C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C#N)cc3)cc2)CCC1)c1cccs1 1785884107 ATOUEVFJRSWGOR-GOSISDBHSA-N 443.572 5.100 30 20 IKED COc1cccc(Cl)c1C(=O)NC1(c2ccc(NC(=O)[C@H](S)C(C)C)cc2)CCC1 1786395706 GQDFLWPEAJWUHQ-HXUWFJFHSA-N 447.000 5.051 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CC(F)(F)F)cc3)CCC2)c1 1787876980 OHEOGHQCYHMBBT-HNNXBMFYSA-N 429.442 5.014 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4cccs4)cc3)CCC2)c1 1788232161 GYQBAHOEIZIQHD-SFHVURJKSA-N 443.572 5.366 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4c(C)oc5cc(O)ccc45)cc3)CCC2)C1 1789020722 ZORJIBDKZYTNTO-UHFFFAOYSA-N 430.504 5.161 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(N(C)C)c3ccccc13)C2 1792572216 LTMYATHUYVDCIX-WKCHPHFGSA-N 447.623 5.150 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1sc3ccccc3c1Cl)C2 1798333736 OLRRGXJKWIJHNS-XMTFNYHQSA-N 443.012 5.575 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)ccc2Cl)n[nH]1 1821123693 BRGBOCIJTLIVKM-UZLBHIALSA-N 444.938 5.277 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccsc3[nH]2)n[nH]1 1821435912 ATFGAAPYZFBEFR-APWZRJJASA-N 437.569 5.027 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3nc(C)ccc3o2)CC1 1827278324 FLAQQCRNLOEEKK-JTHBVZDNSA-N 449.595 5.138 30 20 IKED COc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(C)c2)c1 20887844 IYPGKIUVSHAHFO-UHFFFAOYSA-O 446.379 5.649 30 20 IKED Cc1c(Cl)cccc1Nc1nnc(S[C@H](C)C(=O)Nc2ccccc2C#N)s1 21737503 CLZQDLJHASCWNQ-GFCCVEGCSA-N 429.958 5.235 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(OCC)cc2)=C(/S)Nc2ccccc2OC)cc1 22686080 BMEYMQWTLWQUCK-UHFFFAOYSA-O 449.596 5.385 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(F)c(Cl)c2)c1 22799932 ZMRQQYNLDXEACU-UHFFFAOYSA-O 435.878 5.404 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2sc3ccccc3c2Cl)cc1 22926468 WHWHZEWCYPGMJH-HNNXBMFYSA-N 426.925 5.355 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cnn(Cc4ccccc4Cl)c3)c2)c1 32289886 RFNUEWKJEWLXSW-UHFFFAOYSA-N 442.906 5.288 30 20 IKED Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3cc(C#N)ccc3OC(C)C)cc12 195629353 IJXQHXBVURHAEA-UHFFFAOYSA-N 430.533 5.366 30 20 IKED N#Cc1cc(N[C@H]2CCc3c(O)cccc32)cc(N[C@@H]2CCc3c(O)cccc32)c1[N+](=O)[O-] 302006065 VNZQETCYEZDATQ-LEWJYISDSA-N 442.475 5.076 30 20 IKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 303371511 KEGVPPQJTJUXDE-GOSISDBHSA-N 449.366 5.449 30 20 IKED Cc1ccc([C@H]2CSCCN2CC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 303654735 LJRSHJQANJMCKE-WIYYLYMNSA-N 425.623 5.118 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(OCC(F)(F)F)n1 303760899 FCIVKDVYDCMMDQ-UHFFFAOYSA-N 441.409 5.034 30 20 IKED N#CCOc1ccc(CC(=O)N(c2cccc(N3CCCC3)c2)C2CCCCCC2)cc1 304087397 WPSKOLRPOVHREU-UHFFFAOYSA-N 431.580 5.488 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(C(F)(F)F)c2F)cc1 429848005 PFJLOAZOOPVKGI-UHFFFAOYSA-N 428.385 5.742 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(c3ncccc3Cl)CC2)cc1 430515104 NGSKIJNNOTYJJR-UHFFFAOYSA-N 447.991 5.919 30 20 IKED CN(C(=O)c1ccc(Cl)c(NC(=O)c2cccc(SCC#N)c2)c1)c1ccccc1 430610099 JVDIDLGCQXNFNC-UHFFFAOYSA-N 435.936 5.485 30 20 IKED CN(C)C(=O)c1ccc(CNc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)[nH]1 432425993 OUXLZUWTQBOVIR-UHFFFAOYSA-N 428.414 5.011 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1)c1ccccc1 432900135 FOCZKPFXVPALJB-DEOSSOPVSA-N 444.510 5.312 30 20 IKED C=CCN(CCC#N)C(=O)Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1 433280891 GITPEMOXIRAUGJ-UHFFFAOYSA-N 441.354 5.659 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(C1CC1)[C@H](C)c1ccc2ccccc2c1 438079257 XGUHLFWNGDKYHB-RTBURBONSA-N 429.589 6.849 30 20 IKED CSc1ccccc1[C@H](C)NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 440632175 BRBLFZVAXCKOEW-SFHVURJKSA-N 432.593 5.036 30 20 IKED CO[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)[C@@H](C)C1 441669186 LLEKQSTXXXINAI-IFXJQAMLSA-N 433.430 5.401 30 20 IKED CC(C)(C)c1ccc(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)o2)cc1 442858298 RRWLRFSZHICTTN-IBGZPJMESA-N 427.529 6.253 30 20 IKED CC(C)CC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1F 442878343 SSQWLRJMAFJVOR-GOSISDBHSA-N 446.507 5.296 30 20 IKED Cc1ccccc1C[C@@H](C)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 445237863 NXIXWUUQYGJQBY-OAQYLSRUSA-N 427.548 5.735 30 20 IKED N#Cc1ccc(SCc2nc(CC(=O)Nc3ccc(Oc4ccccc4)cc3)no2)cc1 445380124 XFHPDAABEGCPIH-UHFFFAOYSA-N 442.500 5.207 30 20 IKED O=C(CCC(=O)c1cc(Cl)sc1Cl)NCC#Cc1ccc(C(F)(F)F)cc1 445927542 YIJVDXTXDJEPFS-UHFFFAOYSA-N 434.266 5.205 30 20 IKED C[C@@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)N(CCC#N)Cc2ccco2)cc1 446424921 OAWPONTZMUROJO-GOSISDBHSA-N 433.533 5.014 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N(Cc1ccc(F)cc1)C1CCCCC1 446514763 JDCPMKZTHNELRY-UHFFFAOYSA-N 439.556 5.131 30 20 IKED Cc1nc(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)nn1-c1ccc(F)cc1 460341220 AWAXDOAYKOHJRS-UHFFFAOYSA-N 445.885 5.087 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)cc1C 461189083 FDSFGSUPNOZNRJ-ZJSXRUAMSA-N 426.564 5.346 30 20 IKED Cc1nc([C@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)cs1 461318671 NKPQBWGWSCVDOO-HXUWFJFHSA-N 432.578 5.033 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1ncc(-c2ccc(C)cc2)o1 463041392 XNYJORSUTLUNHX-UHFFFAOYSA-N 436.512 5.438 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 466118738 KHMSLCHKFXKOSG-UHFFFAOYSA-N 435.474 5.749 30 20 IKED COc1ccc2c(c1)CN(CC(=O)Nc1ccccc1SCC#N)[C@H](c1ccccc1)C2 468805096 CKJODEBKWNZONQ-DEOSSOPVSA-N 443.572 5.049 30 20 IKED N#Cc1ccc(-c2nnc(CN[C@@H](c3ccccc3)c3ccc(Cl)c(Cl)c3)o2)cc1 471606205 MIJUAKYUZZGGSG-QFIPXVFZSA-N 435.314 5.794 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc4c(c3)nc(C)n4Cc3ccsc3)[nH]c12 472726041 CDYXDBAKVWZNDJ-SFHVURJKSA-N 425.517 5.129 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 473822484 ONJJEVQQBDZJIQ-ZHRRBRCNSA-N 436.968 6.040 30 20 IKED Cc1nc(-c2ccccc2NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cs1 477708468 UHHJOOKCMMCBBT-UHFFFAOYSA-N 425.513 5.822 30 20 IKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 479185094 IMDJJJPEJUIXOZ-IVMQYODDSA-N 434.565 5.261 30 20 IKED Cc1nc(NC(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)sc1SCC#N 480049035 DLOOBMVYDRDVIU-WOJBJXKFSA-N 435.574 5.388 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 481478544 BTEABTPWBGMDGC-UHFFFAOYSA-N 448.955 5.385 30 20 IKED CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 483212917 ZRCQZFQAFYRCDS-UHFFFAOYSA-N 447.516 5.604 30 20 IKED O=[S@@](Cc1ccc(OCC(F)(F)F)cc1)Cc1cc(F)c(C(F)(F)F)cc1F 488734590 AUSMCTBXLZFEQK-NDEPHWFRSA-N 432.332 5.374 30 20 IKED CC[C@H](c1ccccc1)c1nnc(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)o1 488813276 FNXCDIUSFDFLRE-CXAGYDPISA-N 426.929 5.256 30 20 IKED CC(C)(C)CN(CCC#N)C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 494395728 IIYUKLSZFFVUFV-UHFFFAOYSA-N 442.357 5.103 30 20 IKED Cc1cccc2sc(N(Cc3ccccc3)C(=O)CSc3ccc(C#N)cn3)nc12 498150170 CSABHPXZONYZEB-UHFFFAOYSA-N 430.558 5.197 30 20 IKED CC(C)N1CC[C@@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 498670534 YFPDVLYBEZTEOP-YADHBBJMSA-N 426.511 5.111 30 20 IKED C=CCc1cc(CN[C@@H]2c3cc(Br)ccc3SC[C@@H]2C)cc(OC)c1O 500913391 CBQLFSLWVKDIQV-RBZFPXEDSA-N 434.399 5.465 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)s2)c(F)c1 503005501 ZUIJURPSYRBGQU-TZIWHRDSSA-N 435.524 5.178 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2nc3ccccc3s2)cc1Cl 503930323 YHSHDJNBUGIHAC-IBGZPJMESA-N 446.963 5.969 30 20 IKED Cn1cnc(-c2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cc2)n1 504076520 NRKIQDKWOAGMPY-NRFANRHFSA-N 427.895 5.043 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Nc3ncc(-c4ccccc4)s3)n2)cc1 505432055 DGTQCDHBKMWTGJ-QGZVFWFLSA-N 427.514 5.051 30 20 IKED N#CC1(c2ccccc2)CCC(NC[C@H]2CCN(c3cccc(Br)c3)C2)CC1 507661492 UVZWUHSNBAVVJQ-BJRAERQBSA-N 438.413 5.269 30 20 IKED Cc1ccc(-c2csc3ncnc(SC[C@@H](O)COc4ccc(CC#N)cc4)c23)cc1 508499943 APXMYBNXAIVNDO-IBGZPJMESA-N 447.585 5.265 30 20 IKED C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(OC2CCCCC2)CC1 508855443 HFIKWMBDABWXKN-SFHVURJKSA-N 428.552 5.061 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1 509096548 HDFLQMCEGPXFLY-UHFFFAOYSA-N 429.451 5.286 30 20 IKED CN(Cc1cc(Cl)cc(Cl)c1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 509649353 MNARIMRPYYDVRL-UHFFFAOYSA-N 431.348 5.576 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(-c2ccccc2)ccc1C#N 510181264 PMUCGHIMSGSLDT-KRWDZBQOSA-N 444.585 5.745 30 20 IKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccc(CN4CCCC4=O)c3)c2C#N)C1 512134423 ZHQMLSUTYLZPEG-SFHVURJKSA-N 435.593 5.145 30 20 IKED COC(=O)c1ccc(C)c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 513950059 LAJIIKPOXHHFIO-UHFFFAOYSA-N 431.467 5.027 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccccc2C)nnc1-c1ccc(Cl)cc1 514357248 BGMBSABGBNVGNL-IAGOWNOFSA-N 441.000 5.451 30 20 IKED CCOc1ccc(SCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 515652674 UDKIGVOUZUIMRY-UHFFFAOYSA-N 432.545 5.461 30 20 IKED CCC[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 515914435 HHTXFHDXQQHGSI-UPVQGACJSA-N 445.950 5.592 30 20 IKED C=CCN(C(=O)Cc1c(C)nn(C)c1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 516070191 HRMFABZDFDUIRP-UHFFFAOYSA-N 442.588 5.589 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 518140076 BZHWIBIMOIGNPA-HIFRSBDPSA-N 448.375 5.237 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3ccccc3SCCC#N)cc(-c3cccs3)nc21 518649120 QULBPFKUTVZFSQ-UHFFFAOYSA-N 447.589 5.999 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cc3c(cc2F)CCC(=O)N3)cc1 518806305 DCPSSPCTROLDKV-UHFFFAOYSA-N 431.492 5.127 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](c3ccc(F)cc3)[C@@H]3CCCO3)cc2)cc1 520050376 DMFIGXUKFXRBPW-BJKOFHAPSA-N 431.467 5.531 30 20 IKED Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 520615650 MRRHXLFGDQDBDS-UHFFFAOYSA-N 435.483 5.371 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC(Oc4ccccc4Cl)CC3)cc2)ccn1 520668155 VRLZSWOSUKKECN-UHFFFAOYSA-N 448.910 5.474 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 521291973 FUGPKSDTTBUXML-UHFFFAOYSA-N 436.352 5.420 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1OC 521616767 ZDLBGTLKSJSELA-QFIPXVFZSA-N 446.478 5.484 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(OCC(F)(F)F)cc1 521734114 NGNZZIDIUIZMDM-UHFFFAOYSA-N 448.388 5.905 30 20 IKED C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 523419247 ZTBPPABVSIIBAR-KKSFZXQISA-N 433.914 6.286 30 20 IKED COc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 523423892 PTRTYBHBQUBNCU-JOCHJYFZSA-N 441.531 5.476 30 20 IKED COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(C#N)cc2F)cc1 524987630 RPYZZDJBSQVSRF-HNNXBMFYSA-N 449.507 5.078 30 20 IKED Cc1cc(NC(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)cc2)nn1CCC#N 525841126 PBCXJFZJFIQRIO-UHFFFAOYSA-N 429.402 5.560 30 20 IKED Cc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1C(F)(F)F 525856083 BUUKENNQLHQJMG-UHFFFAOYSA-N 439.393 5.255 30 20 IKED C=CCN(Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1)Cc1ccccc1F 535227568 SLLNIMKIVINPSX-UHFFFAOYSA-N 437.584 6.080 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)ccc1NC(=O)c1cccs1 535404465 RLAXNMQIAIUOMO-GOSISDBHSA-N 443.553 5.922 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(-c4ccccn4)ccc3Cl)s2)cc1 535858500 CJCCWMFDHADYIS-UHFFFAOYSA-N 430.920 5.573 30 20 IKED Cc1ccc(NCCCC2(C#N)CCOCC2)cc1Oc1ncccc1Br 538633227 LENPDXSFGZWMDU-UHFFFAOYSA-N 430.346 5.457 30 20 IKED Cc1cc(Br)cc(Cl)c1C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 540890182 QROAIRMNIUKQRI-AWEZNQCLSA-N 447.638 5.304 30 20 IKED CC(=O)N[C@@H](C)CCc1ccc(C(=O)CSc2ccc(C#N)c(C(F)(F)F)c2)cc1 542003747 IOHLLLOFJINRMB-AWEZNQCLSA-N 434.483 5.009 30 20 IKED COc1ccc2oc([C@H](C)NCC(=O)N(CCC#N)c3cccc(Cl)c3)c(C)c2c1 542583750 XAGRTHMGBFAAJX-INIZCTEOSA-N 425.916 5.001 30 20 IKED C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(-c2cccc(C#N)c2)cc1 543876781 GVUFADOQVLPXHR-KRWDZBQOSA-N 440.528 6.108 30 20 IKED CCCc1ccc([C@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)c2cccs2)cc1 548899450 RZMIIRQPGXRADS-DEOSSOPVSA-N 444.604 5.452 30 20 IKED C[C@@H]1Sc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2NC1=O 548927254 IFRLURDHKLQUHA-NHYWBVRUSA-N 439.949 5.386 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(F)c1Br 550848830 RICMOCFAAQTXSK-UHFFFAOYSA-N 447.251 5.865 30 20 IKED CC1(C(=O)N2CCc3c(Cl)cccc3C2)CCN(c2ccc(Cl)cc2C#N)CC1 553361153 QBJDVCMVTDYZDC-UHFFFAOYSA-N 428.363 5.056 30 20 IKED CCCN(CCN1CCCCC1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 554421471 BPQOHUYXUPORBF-UHFFFAOYSA-N 434.584 5.061 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(OCc2cccc(C)c2)cc1C 554440413 NSMDHSOXPNNXKM-UHFFFAOYSA-N 434.536 5.578 30 20 IKED Cc1ccc(-c2ncco2)cc1NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 557599416 ADXOBBRTFCWVKE-UHFFFAOYSA-N 434.927 5.420 30 20 IKED C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC(CC(F)(F)F)CC1 562026723 BZLIJLRXMBCEKE-INIZCTEOSA-N 438.494 5.172 30 20 IKED Cc1nc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)sc1C(F)(F)F 562511429 USXFJEPPBFBLRA-UHFFFAOYSA-N 438.328 5.066 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCn4c(cc5c(Cl)cccc54)C3)cc2)ccn1 575792269 YWFKAZFBSMVAPF-UHFFFAOYSA-N 443.894 5.401 30 20 IKED N#Cc1cc(Oc2ccc(NCC(=O)N[C@@H](c3ccccc3)c3cccs3)cc2)ccn1 579339375 UBYJLMGORWXBCA-VWLOTQADSA-N 440.528 5.125 30 20 IKED COCCC[C@H](c1ccc(Cl)cc1)c1noc([C@@H]2CCCN2c2ccc(C#N)cc2)n1 586757809 IKJPFFGMNYACPH-YADHBBJMSA-N 436.943 5.495 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccc(C(F)(F)F)cn1 587988836 WJXAOHGUQJTNOP-CYBMUJFWSA-N 441.356 5.733 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)C(=O)c3ccc(Cl)cc3)s2)c(C(F)(F)F)c1 589047826 XDHMWZGVHBNVNR-UHFFFAOYSA-N 449.841 5.099 30 20 IKED N#Cc1c(CSc2nnc(COc3ccccc3Cl)n2C2CC2)cn2ccccc12 589958403 HQPAALURDFFDGZ-UHFFFAOYSA-N 435.940 5.262 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)s2)cc1OC 603527542 MDJNSSXDQUXDNM-UHFFFAOYSA-N 435.549 5.058 30 20 IKED Cc1nc(SCC(=O)N(Cc2cccs2)Cc2cccs2)c(C#N)c(C)c1C 603578505 FCTSVNOEAOGCPN-UHFFFAOYSA-N 427.620 5.323 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 603657662 AZHZUJFMVZFZMI-UHFFFAOYSA-N 435.531 5.662 30 20 IKED CCc1[nH]c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C)c1C(=O)OC 603759108 UKIFZBYZVFYFMK-SFHVURJKSA-N 435.911 5.233 30 20 IKED N#Cc1c(NC(=O)Cc2csc(-c3cccs3)n2)sc2c1-c1ccccc1CC2 603992329 RAXRWCGWZWZVSL-UHFFFAOYSA-N 433.583 5.752 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)NCc2ccnc(Oc3ccccc3)c2)c1 604327931 MJQCORFHVURZRU-UHFFFAOYSA-N 435.483 5.255 30 20 IKED CN(Cc1ccccc1N1CCCC1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604461900 RJTQMHZVTWHCGA-UHFFFAOYSA-N 426.520 5.615 30 20 IKED C=CCN(CCc1ccccc1)C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 606588031 YUCATHQYZPXKMH-UHFFFAOYSA-N 433.577 5.283 30 20 IKED O=C(Nc1ccccc1CC(F)(F)F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 608328818 KWRJQTMMAUBTFR-QWRGUYRKSA-N 436.318 5.822 30 20 IKED COc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 608785149 YVPPBCDUPGDWAY-UNMCSNQZSA-N 447.922 5.649 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)C 608838436 NKZFFGPXNHYEMZ-NRFANRHFSA-N 433.474 5.132 30 20 IKED CC(C)[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 608843283 JAEWGYVAKYBQAJ-JOCHJYFZSA-N 446.517 5.048 30 20 IKED CCNc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1[N+](=O)[O-] 609062310 CNBWAZGAAWLTOK-UHFFFAOYSA-N 430.464 5.038 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3c[nH]cc3-c3ccccc3)cc2Cl)c1 609073047 UMYVJWGDTWIHQJ-UHFFFAOYSA-N 427.891 6.038 30 20 IKED CC(C)(C)N1CCC(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 609081099 ZXRZXPQYXHRTHD-UHFFFAOYSA-N 440.975 5.175 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3occc3COc3ccccc3)cc2F)c1 609104083 NRPOTLLPZQGNLE-UHFFFAOYSA-N 442.446 5.701 30 20 IKED Cc1ccc(-c2csc3ncnc(SCC(=O)NCc4ccc(C#N)cc4F)c23)cc1 609229684 JBXYZJVNIIUPHN-UHFFFAOYSA-N 448.548 5.086 30 20 IKED COc1cc(CSCC(=O)N[C@H](C)c2ccccc2)ccc1OCc1cccc(C#N)c1 609741262 ZYEQTRIXNYQYEV-LJQANCHMSA-N 446.572 5.256 30 20 IKED C[C@H](NC(=O)NCCCCSc1ccccc1Br)c1cccc(C#N)c1 610351751 VJHXHHZKHQCMHX-HNNXBMFYSA-N 432.387 5.253 30 20 IKED C[C@@H](NC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1)c1cccc(C#N)c1 610363649 DUEHZPFDCCBXGT-OAHLLOKOSA-N 428.879 5.420 30 20 IKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@H](OCC(F)(F)F)C1 612979187 HZPNYKYAFUCTEP-GFCCVEGCSA-N 438.290 5.299 30 20 IKED N#C[C@H](C(=O)c1c(-n2cccc2)sc2c1CCCC2)c1nc2ccccc2n1C(F)F 613404892 VXANAIKTOBBBCJ-OAHLLOKOSA-N 436.487 5.652 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1nc2cc(C(F)(F)F)ccc2s1 613405328 YKGVJLKNWBTZRK-GFCCVEGCSA-N 446.841 5.849 30 20 IKED C[C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1c(Cl)cccc1Cl 615882980 KVMAGIXNZHOYNM-CQSZACIVSA-N 430.335 5.319 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(CCC(F)(F)F)Cc3ccccc3)cn2)cc1 616760843 LWKDUJOSSZHCGO-UHFFFAOYSA-N 440.425 5.732 30 20 IKED Cc1nc2c(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cccc2o1 672580885 QFCVGYWWMNWXNL-AWEZNQCLSA-N 428.300 6.057 30 20 IKED O=C(NC[C@H]1CCCC[C@H]1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 673200881 KGXFIJAVGRWNST-WISYIIOYSA-N 428.339 5.127 30 20 IKED C#Cc1cccc(NC(=S)N(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)c1 726446228 VGLQAESUXKLEGM-XFFZJAGNSA-N 426.541 5.356 30 20 IKED N#CCCn1cc(C(=O)COC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)c2ccccc21 727925325 AZSKPIHFQQDXIA-SJORKVTESA-N 441.314 5.391 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccnc3SC(F)(F)F)cc2)c1 728006772 QAIZVGKIQIRPAN-UHFFFAOYSA-N 429.423 5.396 30 20 IKED N#Cc1cccc(COc2ccc(NCC(=O)Nc3cc(Cl)ccc3F)cc2F)c1 728200580 JUVWEUVMSNJUTF-UHFFFAOYSA-N 427.838 5.119 30 20 IKED CCN(C(=S)Nc1ccccc1C#N)[C@@H]1CCSc2ccc(Br)cc21 728796640 JPCYDFIMRGDEMI-QGZVFWFLSA-N 432.412 5.577 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(C2CC2)nc2ccccc12 731067379 REPLVHOIKWNXGD-MRXNPFEDSA-N 445.544 5.159 30 20 IKED Cc1nn(-c2ccccc2)c2ncc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cc12 731195272 DCWSZMNDGJMZEJ-IBGZPJMESA-N 436.302 5.030 30 20 IKED COc1cc(C)c(C(=O)/C=C/c2csc(COc3ccc(Cl)cc3)n2)cc1OC 731317577 ASTXMCKXFFYGGH-RMKNXTFCSA-N 429.925 5.597 30 20 IKED Cc1cc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)c(C)n1[C@H](C)c1ccccc1 732762546 JLHWOMHBXQAFND-LJQANCHMSA-N 429.520 5.046 30 20 IKED C[C@H](Oc1ccc(F)cc1Cl)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 733682501 MEPRJIDGLBJULE-LRDDRELGSA-N 425.872 5.118 30 20 IKED C=CC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1)c1ccncc1 734360916 NWMYJPVCJNHDPK-XMMPIXPASA-N 449.514 5.182 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1nc2ccccc2n1C(F)F 741429709 GBZSNRSAOVBPOK-MELADBBJSA-N 435.352 5.310 30 20 IKED Brc1ccccc1C=NOCc1ncc(-c2ccccc2Br)o1 742351735 CZGNBHBCIPYRNX-UHFFFAOYSA-N 436.103 5.417 30 20 IKED CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 743147558 ULMUAQVWZCKBCD-AWEZNQCLSA-N 448.386 5.603 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(OC3CCCC3)c(F)c2)ccc1OC 743214494 LOOBHGRDGVGCIH-GOSISDBHSA-N 441.503 5.158 30 20 IKED C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccc(Br)s1 744027755 CMGUIGPRFMMDFI-SWLSCSKDSA-N 427.323 5.115 30 20 IKED CC(C)c1nn(Cc2ccccc2)c(Cl)c1/C=C1\S/C(=N/C2CCCC2)NC1=O 754686635 UNVHFPNXYAMQAX-PDGQHHTCSA-N 428.989 5.211 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1 757306041 PBAUVNFJRXFPRS-XMMPIXPASA-N 445.478 5.773 30 20 IKED Cc1ccc(F)cc1NC(=O)C=NO[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 757622491 KCUUJLYJRHZDKL-LLVKDONJSA-N 437.258 5.193 30 20 IKED C=C[C@H](CC(=O)OCc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1)c1ccccc1 758910404 XTPLDBUDYSGGJS-HXUWFJFHSA-N 434.561 5.848 30 20 IKED Cc1cc(SC2CCCCC2)ccc1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 761851568 SSPKGGNSXDAWMY-XMMPIXPASA-N 435.593 5.897 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 764210879 FDRRKMWNKGOHSN-UHFFFAOYSA-N 434.298 5.746 30 20 IKED N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 772643773 FLGPKEXPNAOPQM-MRXNPFEDSA-N 436.455 5.085 30 20 IKED CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2cccc(OCc3cn4ccccc4n3)c2)c1 772984221 NQPFBYLSNHIWLZ-YKSBVNFPSA-N 440.547 5.445 30 20 IKED COC1CCN(c2ccc(N[C@@H]3CCCc4cc(C#N)ccc43)cc2C(F)(F)F)CC1 777680014 KYBJYNUXNRBPDZ-JOCHJYFZSA-N 429.486 5.682 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)ccc1OC 779102188 RQRMYLVAFJAJQO-RCZVLFRGSA-N 431.492 5.164 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)o1 784532224 VYPPEOPOMRONHW-SFHVURJKSA-N 440.421 5.379 30 20 IKED C[C@@H](NC(=O)[C@H](C#N)C(=O)Cc1c[nH]c2cc(Cl)ccc12)c1ccc(Cl)cc1Cl 787054850 XFPIAPSMHTYBRT-PIGZYNQJSA-N 448.737 5.257 30 20 IKED O=C(CC1CC1)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 787107457 OXOQHRNJTPNKEN-UHFFFAOYSA-N 432.176 5.069 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C[C@@H](C)c1c[nH]c2ccccc12 787231193 YDSNSMFFSRNPNI-SJORKVTESA-N 435.549 5.238 30 20 IKED Cc1nc2cc(C(=O)O[C@@H](C#N)Cc3ccc(F)cc3F)ccc2n1Cc1ccsc1 788372154 DPGHTIKGQLNZLL-LJQANCHMSA-N 437.471 5.024 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)O[C@H]([C@H]2CCCOC2)C(F)(F)F)cc1Cl 789661294 SKICLVFPCYGEBF-HNAYVOBHSA-N 439.817 5.518 30 20 IKED N#CCOc1ccc(Cl)cc1CN[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 792930431 FOUHPKBXZWNJEP-OAQYLSRUSA-N 438.877 5.519 30 20 IKED C[C@@H](OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccc(NC(=O)c2ccccc2)cc1 796921661 WPRDVAMCLHDYJT-QGZVFWFLSA-N 428.463 5.286 30 20 IKED CCOC(=O)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 800388320 YOJKMIOIGHDTQT-AWEZNQCLSA-N 428.416 5.114 30 20 IKED Cc1ccccc1[C@@H](O)C1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 806228481 ARUKHPZHUUNZKG-SANMLTNESA-N 441.531 5.637 30 20 IKED N#CCSc1ccccc1NC(=O)COC(=O)C1(Cc2cccs2)CCCCC1 811398594 HXULRVYNTQSYFW-UHFFFAOYSA-N 428.579 5.039 30 20 IKED N#CCOc1ccc(/C=C2\SC(=S)N(CCSc3ccc(Cl)cc3)C2=O)cc1 814268014 OBQJMSMUKSNDOZ-AQTBWJFISA-N 447.006 5.236 30 20 IKED N#CCCn1cc(C(=O)COC(=O)CCOc2ccc(Cl)c(Cl)c2)c2ccccc21 914963614 YFADPTQGGMHQQB-UHFFFAOYSA-N 445.302 5.057 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 915175178 PLQPHWVTGBRXBI-UHFFFAOYSA-N 430.464 5.345 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 915354179 WQIZEPAVSGWMEO-NRFANRHFSA-N 425.410 5.562 30 20 IKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2ccco2)C1=O)Nc1ccccc1 916209272 IISUEALPKIUOAT-LJQANCHMSA-N 439.924 5.094 30 20 IKED Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 916450033 XZCHVIRVAIOBCW-UHFFFAOYSA-N 441.462 5.687 30 20 IKED Cc1nc(CSc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc2)cs1 916885483 XXONSYGHCNZZFW-LJQANCHMSA-N 441.965 5.358 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccccc3OC(F)(F)F)n2)cc1 916974403 KMOLXRDMNOMEKQ-SXSDINLZSA-N 428.435 5.907 30 20 IKED CCOc1cccc2c1OCC(C(=O)[C@@H](C#N)c1nc3cc(C(F)(F)F)ccc3s1)=C2 917043843 ONTCBLLOCLVXJF-OAHLLOKOSA-N 444.434 5.366 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2CCC[C@H]2Cc2c(F)cccc2Cl)c1=S 917473205 JQDBPZKUOQJOQA-KRWDZBQOSA-N 443.979 5.119 30 20 IKED O=C1Nc2ccccc2C12CCC(=NNC(=S)Nc1ccc(Cl)cc1Cl)CC2 917533659 ODJITKXUUFNTKV-UHFFFAOYSA-N 433.364 5.100 30 20 IKED N#C[C@H](C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1nc2ccccc2n1C(F)F 920113298 UVQMRWHIWJGFMG-CQSZACIVSA-N 445.351 5.126 30 20 IKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)/C=C/c4cccs4)CCC3)cc2)cc1 1785880500 JWYSLYYJRYYAOR-OUKQBFOZSA-N 441.556 5.010 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CCc3cnccc3C)cc2)CCC1 1786874281 JEPBDBUWQFJAIH-UHFFFAOYSA-N 431.580 5.225 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccccc3N)cc2)CCC1 1788070223 XSYHUZOFGTUDQJ-SFQUDFHCSA-N 429.564 5.185 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCCCC4(F)F)CCC3)cc2)cc1 1790285520 COOHUCZFROBXGE-OAQYLSRUSA-N 437.490 5.131 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CC4CCCC4)CCC3)cc2)c1 1792122848 SKZVLEXTJWSFPY-LJQANCHMSA-N 429.564 5.642 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C4CCSCC4)CCC3)cc2)c1 1792124352 VDYSZXPWIMNDKC-SFHVURJKSA-N 447.604 5.205 30 20 IKED Cc1ccc(-c2ccccc2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C#N)cc2)cc1 1799669419 PZELHBVYUUVDMK-QEIWAGNOSA-N 449.554 5.099 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2Cl)[C@H]1c1cccnc1 1802494107 BTWQKEPOYLBETB-UGKGYDQZSA-N 439.987 5.047 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)cc(C)c2)[C@@H]1c1cccnc1 1810501638 CDDJAMTWSIZIPJ-LADGPHEKSA-N 433.596 5.010 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3nc(C)ccc3o2)n[nH]1 1817687846 PDBQGGOUSZDMOR-LJQANCHMSA-N 449.555 5.158 30 20 IKED CCC[C@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)CC1 1822100332 BJYHCLXBKSLCFP-LEDOBFOHSA-N 447.583 5.194 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3cnccc23)CC1 1823752017 HXDLETDKBWBNET-RUZDIDTESA-N 447.623 5.461 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc3c(Cl)cccc3s2)C1 1843804973 QLWYBPXMPKXYDB-UHFFFAOYSA-N 431.001 5.364 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1ccccc1CSc1ccccc1)C2 1845981397 UIUGRYOLZOAATQ-HXUWFJFHSA-N 434.605 5.008 30 20 IKED C=CCn1c(SCc2ccc(C#N)cc2F)nnc1-c1ccc(Br)cc1 10611633 WSPSVEQWUJIWFS-UHFFFAOYSA-N 429.318 5.197 30 20 IKED C[C@@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)Nc1sc2c(c1C#N)CCC2 23499524 UBWDQEISRNKPAP-LLVKDONJSA-N 444.632 5.204 30 20 IKED Cc1cccc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c1C 26047383 SYTGSESVVYVEKE-IBGZPJMESA-N 444.585 5.581 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 60166550 ZPKYYAQPOAUMDI-NRFANRHFSA-N 440.528 5.690 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3ccccc3n2)c1 60584955 BDOQNCYLTQAOPF-UHFFFAOYSA-N 438.512 5.090 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3c[nH]cc3-c3ccc(Cl)s3)c2)cc1 64026429 SSNVWNYLCMVRPP-UHFFFAOYSA-N 447.947 6.294 30 20 IKED COc1cc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)cc([N+](=O)[O-])c1O 105432977 WSCZTCCOCUFHEG-LFIBNONCSA-N 432.457 5.342 30 20 IKED CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 109071870 GYCBQPFJGOZLDA-WIYYLYMNSA-N 437.971 5.219 30 20 IKED C=CCN(C(=O)c1cccc(OC)c1OC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 115205302 YZZAMIXQDUBFJN-UHFFFAOYSA-N 449.359 5.967 30 20 IKED C=CCc1ccc(OCC(=O)N[C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)c(OC)c1 303298084 YGOALJITVMMWMN-HNNXBMFYSA-N 440.540 5.251 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 303591246 MHKRQYAWCWWPNA-UHFFFAOYSA-N 444.388 5.567 30 20 IKED CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 303673655 XMSZVJUGVUYQLW-CTNGQTDRSA-N 448.567 5.208 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](c2c(C)nn(C)c2C)C(F)(F)F)cc1 429602546 CNYBGCNBHBZYHL-OAQYLSRUSA-N 442.441 5.043 30 20 IKED O=C(NC[C@@H]1CCC(F)(F)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 431093117 HWCCLMATDIRORG-JSZOFEHESA-N 447.410 5.660 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@@H](c4ccc(F)cc4)C3)cc2F)c1 432080283 VJCKRZUVQQLKDU-HXUWFJFHSA-N 433.458 5.437 30 20 IKED O=C(Nc1ccccc1C#Cc1ccccc1)N(CCc1ccccn1)Cc1cccnc1 432241301 IVLSJZNCSVWSBY-UHFFFAOYSA-N 432.527 5.153 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 432536062 ORAFSMZQAWQZTL-QHCPKHFHSA-N 437.952 5.288 30 20 IKED CCN(C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O)[C@@H](C)c1ccc(C#N)cc1 436546450 OSSSTPYVULWFSF-HNNXBMFYSA-N 449.457 5.018 30 20 IKED CCOCCOc1c(Cl)cccc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 438090334 AJRWJDOJFNTNAZ-NQIIRXRSSA-N 427.932 5.059 30 20 IKED Cc1cc(C)c(NC(=O)CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(C)c1 438650690 QKZKDAQNYCUOGV-UHFFFAOYSA-N 446.482 5.175 30 20 IKED COc1cc(CN(C(=O)N[C@@H](CCC#N)c2ccccc2)C2CC2)ccc1OC(F)F 440261315 XOMXORKVENURJG-IBGZPJMESA-N 429.467 5.016 30 20 IKED CCSCc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 441136027 BIAGPERTEOTAIQ-UHFFFAOYSA-N 449.507 5.320 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H]3C[C@H]3C3CCCCC3)cc2Cl)cc1 442550860 DGTZNPMAZRMKTA-FPOVZHCZSA-N 437.927 5.027 30 20 IKED CCCc1c(NC(=O)N(CC)Cc2c[nH]c3ccccc23)cnn1-c1cccc(C#N)c1 443378695 JSQJAIRBVMDKTP-UHFFFAOYSA-N 426.524 5.232 30 20 IKED N#CCCCn1cc(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c2ccccc21 444349865 FLIACFQFASJRCB-FQEVSTJZSA-N 444.583 5.131 30 20 IKED CCCN(C(=O)c1c(F)cc(C#N)cc1F)[C@@H](c1cccnc1)c1ccc(F)cc1F 446042986 BKMAMDXKVHSTQN-QFIPXVFZSA-N 427.401 5.151 30 20 IKED C=C(C)Cn1c(SCc2nc3ccc(Br)cc3o2)nnc1-c1ccncc1 460871915 FYCVKGVCVMENJE-UHFFFAOYSA-N 442.342 5.112 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CCO[C@@H](c4ccccc4)C3)c2)cc1 462252559 BROISPJWGOAZCP-AOYPEHQESA-N 441.531 5.373 30 20 IKED COc1ccc([C@@H](NC(=O)CNc2ccc(Oc3ccccc3C#N)c(F)c2)C2CC2)cc1 463226090 UPHYRFMEOZHFKA-SANMLTNESA-N 445.494 5.178 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C 468581050 WORCHKZXLZXVDO-VLIAUNLRSA-N 445.535 5.059 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@@H]3CCc4c(F)ccc(Br)c43)ccc21 468975237 LRADPZXMPWHCIA-LJQANCHMSA-N 442.332 5.271 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@@H]3CCCc4ncc(C(F)(F)F)cc43)ccc21 469303638 XUFPVMIQNFLIDR-HXUWFJFHSA-N 428.458 5.173 30 20 IKED N#Cc1cccnc1Oc1ccccc1NCc1nnc(-c2ccccc2Br)o1 471621460 WEJXQQRBIWFNMO-UHFFFAOYSA-N 448.280 5.170 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1noc(-c2ccccc2)n1 473805774 KSAZIIBBAYMEOI-HNNXBMFYSA-N 443.438 5.422 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)C(=O)Nc1cccc(N2CCCC2)c1 475576307 VZWUETUJIGSPRQ-LJQANCHMSA-N 434.584 5.287 30 20 IKED Cc1nn(-c2ccc(Br)cc2)c(NC(=O)C[C@@H](CC#N)c2ccccc2)c1C 476096090 RJJHMVGOAOLHSX-GOSISDBHSA-N 437.341 5.278 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O 476114729 WXUWRPPTSZJIPQ-FQEVSTJZSA-N 441.369 5.293 30 20 IKED C=C(C)[C@H](NC(=O)Nc1cc(OC)c(OC)cc1Br)c1ccc(F)c(F)c1 480846004 ZVAVIUPHAKZZOF-SFHVURJKSA-N 441.272 5.183 30 20 IKED COc1ccc([C@H](C)N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 481712918 NBHZGDNMOWWGJE-KRWDZBQOSA-N 433.483 5.510 30 20 IKED COCCn1c(C)c(C)c2cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)ccc21 482633679 JOIRPKVQYBNCNN-UHFFFAOYSA-N 444.560 5.076 30 20 IKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)[C@H](C#N)c3nccc4ccccc34)cc2)cc1 483206284 WWCLCXHFVNLWRU-XMMPIXPASA-N 440.524 5.007 30 20 IKED N#Cc1cc2c(nc1NC(=O)c1ccc(Oc3ccc(Br)cc3)nc1)CCCC2 484151048 ZNTIPEKXFSAVAT-UHFFFAOYSA-N 449.308 5.034 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCc2cc(Br)ccc2C1 484162717 OLXWQXQHQLTNLJ-AWEZNQCLSA-N 430.371 5.291 30 20 IKED CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 487243046 ADYOONWACCRYBO-UHFFFAOYSA-N 440.286 5.868 30 20 IKED Cc1cnccc1OC1CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 487251667 GWUOJHAFGDDBFY-UHFFFAOYSA-N 447.922 5.391 30 20 IKED N#C[C@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)c1cccc(Br)c1 496290023 ILFGKAUDGRORLE-KRWDZBQOSA-N 446.757 5.150 30 20 IKED C=CCn1c(SCc2nccn2Cc2ccccc2)nc2sc3c(c2c1=O)CCCC3 497260097 HPZLBHSNXGBFDC-UHFFFAOYSA-N 448.617 5.060 30 20 IKED C[C@@H](CC(=O)Nc1ccc(OC(F)F)cc1OC(F)F)c1ccc(C(F)(F)F)cc1 498619175 GUOPXFYOSORGNH-JTQLQIEISA-N 439.327 6.041 30 20 IKED N#Cc1ccc(N2CCC[C@H](N[C@H](c3cccnc3)c3cc4ccccc4o3)C2)c(F)c1 498934666 SNFIEROEJDCGTF-HFZDXXHNSA-N 426.495 5.187 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@H](C#N)c1ccccc1Cl 499923896 SIJLFFALRFIFHW-FZKQIMNGSA-N 446.359 5.651 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 500329057 YYSFBQFDKLNVRW-UHFFFAOYSA-N 430.552 5.349 30 20 IKED C[C@@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccccc1C(F)(F)F 500987543 HTOKRNAVIDOZGF-LLVKDONJSA-N 445.338 5.540 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCC(c3ccc(Br)cc3)CC2)cc1 503828100 JZNWIOVLIZDQSD-UHFFFAOYSA-N 426.358 5.662 30 20 IKED COc1ccc(-c2cc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)c3ccccc3n2)cc1 505329734 OLBKJELMWBZPIM-HXUWFJFHSA-N 447.416 5.814 30 20 IKED C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 505918785 KHPIUDUZNZSLMU-WOJBJXKFSA-N 435.543 5.216 30 20 IKED C=CCN(CCc1ccccc1)C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 506793609 AXGWKBNFIACOSP-UHFFFAOYSA-N 428.536 5.271 30 20 IKED C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 508929764 BVDGSZPVYCEFGD-UHFFFAOYSA-N 430.352 5.198 30 20 IKED FC(F)Oc1ccc([C@@H](NCc2ccc(OCC(F)(F)F)nc2)C(F)(F)F)cc1 510414050 JQBDJSRJNDTUTJ-CQSZACIVSA-N 430.295 5.017 30 20 IKED Cc1ccccc1-n1nc(C)c(CN(C)C(=O)Nc2cc(C#N)ccc2OC(C)C)c1C 510692550 FLZNTMRZPBLOFJ-UHFFFAOYSA-N 431.540 5.120 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ccc(OCC(F)(F)C(F)F)nc1 511494492 OTLNUCISZXUAOM-NSHDSACASA-N 438.343 5.213 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1-c1ccccc1F 514955260 NJGMQOZHIDZGCP-AWEZNQCLSA-N 430.936 5.351 30 20 IKED N#Cc1ccccc1CSCCNC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 515375245 IBVQTUNEAYNPPE-UHFFFAOYSA-N 428.517 5.421 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(Cc4ccccc4)nc3C)n2)cc1 516714190 TZUPDNFDDYSTII-IBGZPJMESA-N 445.569 5.665 30 20 IKED Cc1cc(C)c(NC(=O)Cc2noc(-c3cn(CCCC#N)c4ccccc34)n2)c(C)c1 516893510 NXICMRAARFEXJG-UHFFFAOYSA-N 427.508 5.102 30 20 IKED CC(C)N(C)Cc1ccccc1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1 517077032 VQABQRPODDVIFM-UHFFFAOYSA-N 443.616 5.621 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 517534953 MYZJJKBOTYUSEP-GFCCVEGCSA-N 425.888 5.386 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Br)cc1 518668934 VBBYGYAWHSGQNI-UHFFFAOYSA-N 429.261 5.726 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1 518849066 OEMNRMGHPKMSFE-QFIPXVFZSA-N 435.405 5.151 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 520854458 RQEMFILMKVDUKX-KRWDZBQOSA-N 446.580 5.135 30 20 IKED N#C[C@@H](NC(=O)CCCOc1ccccc1Br)c1cccc(C(F)(F)F)c1 521016229 SNVHYJOBYHPUGA-MRXNPFEDSA-N 441.247 5.008 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(C(F)(F)F)ccc2F)cc1C 521825991 DUGYADPASPJFTG-UHFFFAOYSA-N 430.405 5.491 30 20 IKED N#CC1(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CCCCC1 522732751 XTNLLGCONDQCQE-UHFFFAOYSA-N 431.851 5.270 30 20 IKED COc1cccc(C[C@@]2(C(=O)Nc3nc(C)c(SCC#N)s3)C[C@H]3CC[C@H]2C3)c1 522747526 JKPHSBJQZSRCHE-PNLZDCPESA-N 427.595 5.063 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)cc1 523627447 YYWQFNNHOJUSIL-IBGZPJMESA-N 447.922 6.034 30 20 IKED COCCN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccccc1SC[C@H](C)C#N 524565214 LPUJUMUDSJDXHC-OAHLLOKOSA-N 435.952 5.411 30 20 IKED Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)Nc2cc(C#N)ccc2C)C3)cc1 531081481 XXYZLUTYGBEAML-UHFFFAOYSA-N 439.519 5.409 30 20 IKED C=CCN(C(=O)[C@H](C)Cc1ccc(OC)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 534705228 NPEXEALQPHAEPA-MRXNPFEDSA-N 437.521 5.125 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N1CCc2ccccc2[C@@H]1Cc1ccccc1 535655784 QLKOJXLFMJNEIJ-SANMLTNESA-N 437.543 5.036 30 20 IKED N#CCCn1cc(CN2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c(-c2ccccc2)n1 538721570 RQJMYOUGUSTLKM-KRWDZBQOSA-N 445.514 5.319 30 20 IKED COc1cc(C)ccc1Oc1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)cn1 540809107 UDAQFWKECYFJAO-UHFFFAOYSA-N 439.519 5.580 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 540853364 SSGQTOFXEQAFST-FQEVSTJZSA-N 428.488 5.551 30 20 IKED C=CCOc1ccc(/C=C/c2nc(Cc3coc(-c4ccc(OC)cc4)n3)no2)cc1OC 544046612 OOTOTRBCBVGJAV-WUXMJOGZSA-N 445.475 5.068 30 20 IKED COC(=O)[C@@H](N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C)c1cccc(C#N)c1 544487431 VATYHVQIFUUGHI-DJJJIMSYSA-N 425.941 5.209 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccnc(SCC(F)(F)F)c3)n2)cc1 544549406 KEYANNKVUSBGCK-HNNXBMFYSA-N 449.479 5.358 30 20 IKED C=C(C)[C@@H](NC(=O)Nc1ccc(Cc2nc(C(C)C)no2)cc1)c1ccc(F)c(F)c1 555031241 LCZRHPZJBWQLLM-OAQYLSRUSA-N 426.467 5.501 30 20 IKED COc1ccc(NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)c(C(F)(F)F)c1 557614855 ONBUXWOEFFGNGP-UHFFFAOYSA-N 427.272 5.169 30 20 IKED N#CCCC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1)c1ccccc1 560281646 FLTFMEAJBKPLES-HSZRJFAPSA-N 431.467 5.108 30 20 IKED C[C@H](CC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccccc1C(F)(F)F 563643878 VAOLYXJXQFQAHC-OAHLLOKOSA-N 434.433 5.280 30 20 IKED COCC1(c2noc(C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)n2)CCCCC1 573255827 MFEQRTPXLAPGGB-UHFFFAOYSA-N 428.964 5.001 30 20 IKED C=C(C)COc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2[C@@H](C)CC)c1 589382791 JTGBUURRJCMOQH-SFHVURJKSA-N 436.581 5.602 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)cc1 603637929 NGOKBJDAPHBNSF-UHFFFAOYSA-N 448.482 5.037 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc(Cc2ccccc2)nc1C 603738455 FEYZKBLITDNECC-UHFFFAOYSA-N 440.528 5.662 30 20 IKED Cc1cc(C)n([C@@H](C)CC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)n1 603757682 HKMHQEHECKQPFR-AWEZNQCLSA-N 447.486 5.028 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccn(-c3ccccc3F)n2)cc1Cl 603765876 AUJKHMIJTKCWED-LJQANCHMSA-N 430.870 5.573 30 20 IKED N#Cc1cccc(COc2cccc([C@@H]3Nc4ccccc4C(=O)N3Cc3ccco3)c2)c1 603937911 CYKJPUDBQDAXMN-AREMUKBSSA-N 435.483 5.497 30 20 IKED Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1Cl 603979183 LCFSAOILZXGNDZ-UHFFFAOYSA-N 434.304 5.162 30 20 IKED CC(C)(C)n1nc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1C1CC1 604003782 WHNUFVZPBTVSDJ-UHFFFAOYSA-N 428.536 5.413 30 20 IKED COc1cc(OC)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1OC 604026719 IARDDZUXFDGGFR-UHFFFAOYSA-N 438.867 5.282 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)n1 604444972 HSCIAACWGZOJRW-MRXNPFEDSA-N 444.871 5.395 30 20 IKED CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 605190931 AKPBWMFCNWMRHX-HHHXNRCGSA-N 443.591 5.121 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(Oc4nccs4)c3)n2)cc1 606146703 OFHFEKFUGATACP-GOSISDBHSA-N 433.514 5.558 30 20 IKED Cc1csc(-c2cccc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2)n1 607009953 WCDBMGSCSZMTRD-OAHLLOKOSA-N 443.475 6.237 30 20 IKED C[C@@H](NC1(CNC(=O)c2occc2COc2cccc(C#N)c2)CCCC1)c1ccccc1 609481243 SESLRTMJUNHVAX-HXUWFJFHSA-N 443.547 5.124 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2ccnc3ccccc23)cc1Cl 609907219 XJFACTKUHYKWLN-QHCPKHFHSA-N 425.919 6.115 30 20 IKED CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 610106138 PIRFWRMURSKXQB-SFHVURJKSA-N 432.545 5.574 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NC3(c4cccc(Cl)c4)CC3)c2)c1 610141701 JKYSKQXJLQZOPH-UHFFFAOYSA-N 430.895 5.275 30 20 IKED C[C@@H](NC(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1)c1cccc(C#N)c1 610347300 MZGBNOLQMVJPBQ-OAQYLSRUSA-N 438.575 5.381 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1 611362977 OKUFWWGEHNCPAD-QZTJIDSGSA-N 441.375 5.107 30 20 IKED Cc1ccc(OCc2nc(CC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)cs2)cc1 612539692 CFQDNINMYZKWHE-OAHLLOKOSA-N 437.590 5.270 30 20 IKED C=CCN(C(=O)Cc1csc(-c2cccc(F)c2)n1)c1nc(-c2ccccc2)cs1 612756208 OFRQGAXDQDZCGK-UHFFFAOYSA-N 435.549 5.834 30 20 IKED Fc1ccc([C@H](C[C@@H]2CCOC2)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 644532193 YBKXCIBJOGXBBA-IVFVNLKQSA-N 427.404 5.793 30 20 IKED FC(F)Oc1ccc(CN2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1Br 678838118 BZEYYADWAPYRGK-IUCAKERBSA-N 442.144 5.223 30 20 IKED O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 679573353 QPHKSKZTQYYLIH-YUMQZZPRSA-N 426.691 5.146 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)NCc1ccc(OCC#N)cc1 730128741 ZXXHXCZBGVRTJO-OAHLLOKOSA-N 440.956 5.235 30 20 IKED O=C(C[C@H]1SC(=Nc2ccccc2)N(C2CCC2)C1=O)Nc1ccccc1C(F)(F)F 730459722 MNLUSEIUWSDVCB-GOSISDBHSA-N 447.482 5.218 30 20 IKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(C2CCC2)C1=O)NCc1ccccc1 730461458 PMMXCUDVIJGKMB-HSZRJFAPSA-N 443.572 5.030 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1Cl 730688143 SAIQGRWTAMBOPO-SOUVJXGZSA-N 437.710 5.106 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccccc2F)o1 731068059 PZGVQSNMDVUAPS-HNNXBMFYSA-N 438.480 5.133 30 20 IKED COc1cc(C#N)ccc1OCCCc1nc(C(c2ccccc2)c2ccccc2)no1 731789234 ZZVDNSSKMYURIB-UHFFFAOYSA-N 425.488 5.142 30 20 IKED Cc1ccc([C@@H]2CCC[C@@H]2OC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 734089740 VWWWFXGDOONYOB-UNMCSNQZSA-N 445.519 5.211 30 20 IKED C=CC[C@H](C)NC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl 735065572 FMVZRYDQRHAFFD-NSHDSACASA-N 447.771 5.142 30 20 IKED CS(=O)(=O)c1cccc(Oc2ccc(N=Cc3cc(Br)ccc3O)cc2)c1 737440806 QLMZEDBLSJVLLJ-UHFFFAOYSA-N 446.322 5.101 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccc(F)cc3Br)c2)s1 740437182 KXGSITRPJNLFEH-UHFFFAOYSA-N 430.302 5.510 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccc(Oc4ccccn4)cc3)c2)s1 740453414 BKHQMCAXRBGQDG-UHFFFAOYSA-N 426.501 5.796 30 20 IKED Cc1ccc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cc1OCC1CCOCC1 741229930 WCPHFMHYAVEFMF-UHFFFAOYSA-N 443.547 5.332 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)o1 742631359 OVIWWBSBAVVFOH-UHFFFAOYSA-N 447.491 5.007 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2c(C)cc(C)cc2C)cs1 743445520 YUJMEVSFCHPBMR-UHFFFAOYSA-N 446.498 6.218 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(Cc2cccs2)C(=O)N[C@@H]1c1ccc(C#N)o1 743742742 OSHPEQKJJBMZAR-HXUWFJFHSA-N 437.908 5.133 30 20 IKED O=S(=O)(Nc1nccs1)c1ccc(NN=Cc2sc3ccccc3c2Cl)cc1 748080077 DJFXIRMCYNGGOL-UHFFFAOYSA-N 448.982 5.258 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3cc4ccccc4o3)o2)cc1 749091982 MCRAWRLTZJCJHH-MRXNPFEDSA-N 432.505 5.219 30 20 IKED C[C@@H](ON=C(c1ccccc1)C(F)(F)F)C(=O)N(c1nccs1)C1CCCCC1 751953755 DLDRTTZRSZTPIF-CQSZACIVSA-N 425.476 5.181 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](CCc3ccccc3)C2)cc1 755757428 VDYNRWLJHPPXIB-IZZNHLLZSA-N 425.532 5.208 30 20 IKED C[C@@](O)(CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(F)cc1 759913820 MGCNLFHRSNKUMK-XUZZJYLKSA-N 437.902 5.164 30 20 IKED C(=NNCc1cnc2ccccc2c1)c1ccc(C=NNCc2cnc3ccccc3c2)cc1 764778255 IPTFTMVZHNGPRI-UHFFFAOYSA-N 444.542 5.030 30 20 IKED C=CCn1c(SCc2cnc(Cl)s2)nnc1-c1ccc(Br)cc1 768255141 JQZKLFCUJHSNAZ-UHFFFAOYSA-N 427.780 5.296 30 20 IKED Cc1cc([C@@H]2NC(=O)N(c3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2=O)ccc1F 771814889 BLZFOSDSQXJSEA-KNQAVFIVSA-N 433.870 5.241 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1 772222151 YJBHFDBPMFNWHV-UHFFFAOYSA-N 448.548 5.134 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1 773261334 JCWIMXQRRAOSMZ-LADGPHEKSA-N 445.494 5.610 30 20 IKED CC(C)(C)OC(=O)N[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)c1ccccc1 777298515 YXWVYBFSJPKJQW-VQTJNVASSA-N 447.560 5.642 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)nn1-c1ccc(Cl)cc1 778299127 UBMXUZQATUARMQ-OAHLLOKOSA-N 447.709 5.102 30 20 IKED CCc1cccc(CC)c1-n1c(-c2cccnc2)nn(CN2CCC(C)(C#N)CC2)c1=S 779878777 DGRLNSXAOZUZIY-UHFFFAOYSA-N 446.624 5.173 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc([C@@H]2CCCOC2)cc1 780306684 XWTJIAIRNRPJDS-GGAORHGYSA-N 440.499 5.334 30 20 IKED FC(F)(F)c1cc(C=Nn2c(S)nnc2CSc2ccccc2)ccc1Cl 782240770 LIWIDXOZGDPBHI-UHFFFAOYSA-N 428.892 5.414 30 20 IKED CC[C@H](NC(=O)[C@H](C#N)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 787047298 VKWPJHAQRSAHJZ-SJORKVTESA-N 442.359 5.314 30 20 IKED Cc1c(-c2ccccc2)oc2c(C(=O)[C@@H](C#N)c3nccc4ccccc34)cccc2c1=O 792104015 WBGQPOTUVUGADS-QHCPKHFHSA-N 430.463 5.807 30 20 IKED C=CCn1c(-c2cccc(Cl)c2)nn(CN2CC(C)(C)[C@@H]2c2cccnc2)c1=S 793569902 DNAZKHYKYMMKCM-IBGZPJMESA-N 425.989 5.356 30 20 IKED CCCCCCCN(Cc1nnc2n1CCOC2)[C@H](C)c1ccc(Br)cc1 797991244 STYIIQXSTRVSBV-QGZVFWFLSA-N 435.410 5.104 30 20 IKED CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)c(Cl)c1 799213630 UZDDPEGCZYNOLF-MRXNPFEDSA-N 440.327 5.113 30 20 IKED Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)n1 801705154 KPYSOIGCKISOJA-HNNXBMFYSA-N 447.310 5.732 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 806265236 MCLWCFRBVRYISN-CYFREDJKSA-N 445.588 6.391 30 20 IKED O=C1/C(=C\c2csc(-c3cccc(Br)c3)n2)C[C@H](C(=O)O)c2ccccc21 806561499 VJUCLNUCJCUKHZ-GWCFYCIZSA-N 440.318 5.411 30 20 IKED C[C@H](OC(=O)c1cn(CCCC#N)c2ccccc12)c1ccc(SCC(=O)N(C)C)cc1 809069071 TYKJXTGGHPUKRJ-SFHVURJKSA-N 449.576 5.043 30 20 IKED N#Cc1ccc(OCc2ccc(-c3nc(-c4sccc4Br)no3)o2)cc1 904889633 YQBCDRBOPLJBJB-UHFFFAOYSA-N 428.267 5.271 30 20 IKED CC[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1 915752665 MLDYULMCQOJZMP-GOTSBHOMSA-N 431.923 5.201 30 20 IKED Cc1sc(=O)n(CC(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)c1-c1ccc(F)cc1 915801657 IQNFZEOJUGHKPD-UHFFFAOYSA-N 444.487 5.169 30 20 IKED CC(=NNc1cccc2ncccc12)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 915964896 UFUHCMZYJWYXQX-UHFFFAOYSA-N 430.533 5.180 30 20 IKED Cc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 916341907 OVBHOYAWXJUANI-UHFFFAOYSA-N 439.884 5.246 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCc1ccc(C(C)(C)C)cc1 916903848 WZECOCYLBFJQOQ-SFHVURJKSA-N 426.944 5.235 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2nc3ccccc3s2)s1 916923428 OLKAASAKBBKGGN-AWEZNQCLSA-N 447.541 5.385 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cs1 917561306 AEZRIKQPOFFEDA-DTQAZKPQSA-N 442.515 6.530 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 919815096 QVQFGPYOZFYWOD-NDEPHWFRSA-N 443.506 6.045 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 920105577 HSPQLNRSRMCUPZ-HSZRJFAPSA-N 434.495 5.698 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NN[C@@H](C)c2ccccc2)cs1 920381895 BHHKOKGBZPAVKS-AWEZNQCLSA-N 432.471 5.531 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)c(Br)cc1O 921265606 NENOASGCWYAAQM-SREVYHEPSA-N 443.249 5.018 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCCCCC(C)(C)C)C2 1779276172 SVTZGGHYCJLZLB-AZSVPQILSA-N 446.676 5.265 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C(F)(F)F)c3F)CCC2)cc1 1785936065 JXSINELKKITOQK-UHFFFAOYSA-N 447.432 5.142 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc(C(C)(C)C)oc3C)CCC2)cc1 1786677206 IHNSYQQNLGXAJR-UHFFFAOYSA-N 440.609 5.552 30 20 IKED CC1=CC[C@H](C(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)CC1 1788650678 IQOQPWGTHJMIJD-KQDNUWKFSA-N 448.588 5.368 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnc(Cl)c(Cl)c3)cc2)CCC1 1789739823 QDYWRYBDCZSYHT-CQSZACIVSA-N 432.351 5.348 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C)c(C)c2)[C@@H]1c1cccnc1 1802496391 QJEFDGFSHAJSSF-BJKOFHAPSA-N 433.596 5.010 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3ccoc3c2)[C@@H]1c1cccnc1 1810503606 RWESAPJBDIIAHR-ISKFKSNPSA-N 445.563 5.140 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)[nH]n1 1821920733 KJHPZLDJIILOLC-GURWAVDKSA-N 432.524 5.074 30 20 IKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCCCC(C)(C)C)n[nH]1 1822113467 BXPOSEWXKNYQOE-OAQYLSRUSA-N 446.636 5.381 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCc3ccccc32)n[nH]1 1822523904 JCBNPVXVBAXAGJ-IFMALSPDSA-N 434.584 5.124 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3sccn3c2)CC1 1824141644 YTMMLXWKMKPLMQ-JOCHJYFZSA-N 439.625 5.003 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)c2cccs2)CC1 1824145020 PXYFZDMUCRNDRW-UGKGYDQZSA-N 428.642 5.240 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CSC2CCCC2)CC1 1828822597 ZNUYCAKHPJKXRS-PKTZIBPZSA-N 432.674 5.050 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccoc23)CC1 1830987199 KJBXBGHUISEBTD-DEOSSOPVSA-N 434.580 5.435 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C\c2c[nH]c3ccccc23)CC1 1831371116 ZMJBQBAWZMTEPW-XFCHFUEZSA-N 433.596 5.013 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)c(F)c2C)CC1 1832617700 OFDWMWKAHODEGS-OFNKIYASSA-N 444.566 5.275 30 20 IKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)C1 1843458532 KJIIKFDIUDONEU-UHFFFAOYSA-N 438.955 5.185 30 20 IKED N#CCCSc1nc2ccccc2c(=O)n1-c1cc(C(F)(F)F)ccc1C(F)(F)F 8750893 SMYPAICBPZTISX-UHFFFAOYSA-N 443.372 5.429 30 20 IKED C=CCn1c(SCc2nnc(-c3ccccc3Cl)o2)nnc1-c1ccc(F)cc1 10498128 OLHIGDFNCNFYJH-UHFFFAOYSA-N 427.892 5.266 30 20 IKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(COC(=O)c2ccc(C#N)cc2)cs1 10807385 SQINQDDQFQYOFA-UHFFFAOYSA-N 446.315 5.363 30 20 IKED Cc1cccc(C)c1N/C(S)=C(/C(=O)c1ccc(Cl)cc1Cl)[n+]1cccc(O)c1 11153144 ZJACMYDBXCMQQO-UHFFFAOYSA-O 446.379 5.654 30 20 IKED CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc(C#N)c2)NC(=S)N1c1ccccc1 12670165 BIXANWFOCBJVBP-DEOSSOPVSA-N 438.556 5.215 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1 23329581 YRWYCEOKZHTVQU-UHFFFAOYSA-N 442.635 5.274 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc(F)cc2)cc1 23604036 VTAOPCBLCKNSOJ-UHFFFAOYSA-O 438.592 6.013 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)cc(OC)c1OC 63991479 BXMIYJRJSKNQDP-UHFFFAOYSA-N 427.504 5.083 30 20 IKED N#Cc1cc(NC(=O)c2cc(Cl)ccc2Br)ccc1OCC(F)(F)F 97326625 GAENPAUWWTWSHV-UHFFFAOYSA-N 433.611 5.168 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1oc2ccccc2c1CSc1ncccn1 109717991 HWFOJPJCUNSJHY-UHFFFAOYSA-N 442.544 5.439 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)nnc1-c1ccccc1F 218293786 VERHEKQBIYIKHJ-CQSZACIVSA-N 439.491 5.621 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCc2ccc(OC(F)F)cc2)cc1 303029753 TWGPAWZWEONNEX-UHFFFAOYSA-N 438.449 5.460 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3nnc(Cc4cccc(F)c4)s3)c2)cc1 410010044 NOCBQYRFRCWUDE-UHFFFAOYSA-N 430.464 5.184 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cc1C 430612548 SNDRYIUADYGRLW-SFHVURJKSA-N 431.565 5.325 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCC[C@H]4[C@@H](C#N)c4ccccc4)cc3)o2)cc1 436338289 BTKKDQPGWTUVLJ-DQEYMECFSA-N 448.526 5.624 30 20 IKED C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 437756425 HQOZGDBTLOAQKT-BCHFMIIMSA-N 443.522 6.086 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c2)c1 437887068 CYSKXJSQRLJTOG-LOSJGSFVSA-N 449.514 5.114 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Nc2cccc(CC(F)(F)F)c2)cc1 437897072 NJLYRCHONSWQRQ-UHFFFAOYSA-N 439.437 6.080 30 20 IKED CC(C)Oc1ccc(NC(=O)C(=O)Nc2cccc(CO[C@H]3CCC[C@@H](C)C3)c2)cc1C#N 438721707 LERBMUSJZVPKLE-JPYJTQIMSA-N 449.551 5.018 30 20 IKED N#Cc1cnc2c(Br)cccc2c1N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 440657340 FQOLPOHVDIJXCI-QFBILLFUSA-N 426.289 5.340 30 20 IKED CC1(C)CCC[C@H]1N(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1SCCC#N 441997454 MYHDIMZGQIXTRK-JOCHJYFZSA-N 435.593 5.238 30 20 IKED N#CCCCn1cc(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)c2ccccc21 444148718 QNLBYNOWWKEKKA-QHCPKHFHSA-N 439.519 5.362 30 20 IKED N#CCCCn1cc(C(=O)NCc2csc(CCc3ccccc3)n2)c2ccccc21 444300671 AFSLBZJEGWHHRZ-UHFFFAOYSA-N 428.561 5.117 30 20 IKED CCCNc1ccc(C#N)cc1NC(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C 461686971 NLIWBGCXSSWUGH-UHFFFAOYSA-N 436.512 5.394 30 20 IKED O=C(CCCC(F)(F)F)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469760335 JIYDTGBODDRZDG-CYBMUJFWSA-N 437.302 5.357 30 20 IKED C=CCn1c(SCc2cc(Br)cc3cccnc23)nnc1-c1cccnc1 470840389 JYOPFJZRWGSSNN-UHFFFAOYSA-N 438.354 5.129 30 20 IKED O=C(Nc1ccc(C(F)(F)F)nn1)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 471951678 FQZSUBRMTRSAGA-SNVBAGLBSA-N 446.273 5.329 30 20 IKED CC(C)n1nc2c(c1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)CCC2 473808555 QHOUJFNZFZRZSS-UHFFFAOYSA-N 431.515 5.198 30 20 IKED Cc1csc(NC2CCN(C(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)CC2)n1 474798849 AVRURSRXYSLFOV-UHFFFAOYSA-N 432.549 5.141 30 20 IKED Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)o1 480313722 JEMRSDTXODKQOP-CLOONOSVSA-N 443.547 6.238 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@]4(C3)OCc3ccccc34)cc2)cc1 480806883 URTSWSDBLKKCOZ-SANMLTNESA-N 425.488 5.404 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H](c2ccccc2)c2ccccn2)cc1F 483231529 NNSDDJMNIAUOML-RUZDIDTESA-N 438.462 5.796 30 20 IKED C=CCn1c(SC[C@H](O)CC#N)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 487175064 HDLCMPQTVYOEOL-LJQANCHMSA-N 441.560 5.021 30 20 IKED COc1cc(CC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)ccc1C 487287432 CBZGXIJMFNQTKH-UHFFFAOYSA-N 445.466 5.123 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1SCc1nc(O)c2c(-c3ccccc3)csc2n1 488815855 MCAPQISFKKNCNH-UHFFFAOYSA-N 444.463 5.642 30 20 IKED C=C(C)Cn1c(S[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)nnc1-c1ccncc1 489409646 SRFZQSGOWIZMAT-CQSZACIVSA-N 438.944 5.473 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 494040258 WZPJKCLPUNEUKW-AWEZNQCLSA-N 442.441 5.468 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3-c3c(F)cccc3F)o2)cc1 494524388 IILOMTZECJFORO-UHFFFAOYSA-N 430.410 5.928 30 20 IKED O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1ncoc1C1CC1 499049065 WHEFGJIBUVISPN-ZDUSSCGKSA-N 446.269 5.623 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(-c2ccccc2)nc1O 501765802 MNJPSQHSHJSFTB-UHFFFAOYSA-N 441.300 5.184 30 20 IKED CC(C)(C)C[C@H](NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 503342713 GRZFKRZSJHPOQW-DEOSSOPVSA-N 436.575 5.092 30 20 IKED N#CCCN(Cc1cccnc1)C(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1 510273808 VZHPYNPFOTXKPC-UHFFFAOYSA-N 427.291 5.132 30 20 IKED COc1cccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 510874634 NTKJYTPZDPQQMR-RUZDIDTESA-N 427.504 6.037 30 20 IKED NC(=O)c1ccc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)cc1 514627407 HVFBPKARUTUHIE-AWEZNQCLSA-N 444.297 5.216 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@@H](C)c1ccc(C(F)(F)F)cc1 518656378 RPNJGFGOQDKXJF-GJZGRUSLSA-N 438.540 6.390 30 20 IKED C=CCOc1ccc(C(=O)N[C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)cc1OC 519133172 OFXDWBKTFDYMTQ-AWEZNQCLSA-N 426.513 5.322 30 20 IKED C=CCN(C(=O)Nc1cccc(Oc2ccccc2)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 520194825 HASYWPPENWKCPT-IBGZPJMESA-N 440.507 5.236 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3cccc(COc4cccc(F)c4)c3)CC2)c1 520592840 HQLVYIJYELGLPL-UHFFFAOYSA-N 445.494 5.352 30 20 IKED CCCCN(Cc1ccccc1Cl)C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N 520846873 NMXXSDFWZSJQSB-KRWDZBQOSA-N 444.000 5.359 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 521259125 ILOGUQBZTVIZSO-DYESRHJHSA-N 443.016 5.550 30 20 IKED Cc1ccc(-n2cnnc2SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C)c1 521720709 SHOANCJQWMDWDJ-KRWDZBQOSA-N 437.594 5.009 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 521789508 HRBYMQZZURADHJ-UHFFFAOYSA-N 435.439 5.647 30 20 IKED CC(C)c1ccc(OC2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)cc1 521808745 LJRVNEOWSUPFBV-LJQANCHMSA-N 437.609 6.280 30 20 IKED Cc1nc(SCC(=O)Nc2cccc(CSC3CCOCC3)c2)c(C#N)c(C)c1C 522479019 YLHANIRIKCWWDV-UHFFFAOYSA-N 441.622 5.022 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)cc2F)c1 524461315 SFQJQLCONTUBBI-HSZRJFAPSA-N 446.478 5.086 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](CCCO)c2ccccc2)cc1Cl 525417294 YHGCQWQAHWTBGJ-ISKFKSNPSA-N 433.939 5.631 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1 530621213 KHTCPGCZBHOCBJ-HNNXBMFYSA-N 436.562 6.039 30 20 IKED N#CC1(c2ccc(C(=O)NCc3ccccc3-c3ccc(Cn4cccn4)cc3)cc2)CC1 537473129 LCCSKCWPPRGQLK-UHFFFAOYSA-N 432.527 5.084 30 20 IKED CCC(CC)(Cc1nc2ccccc2s1)C(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 538764482 IWLAZPXELBJJKF-UHFFFAOYSA-N 443.576 5.223 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1 541706637 XZKDFINHLNECML-URXFXBBRSA-N 431.467 5.531 30 20 IKED CC(C)n1ccc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1 542122488 FBGABZZSVLCHBZ-AWEZNQCLSA-N 433.318 5.895 30 20 IKED Cc1sc2nc([C@H](C)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)nc(N)c2c1C 542945473 RPNZPLBERHDSDM-CVEARBPZSA-N 427.577 5.841 30 20 IKED C[C@H]1CN(C(=O)c2ccc(C#N)c(Cl)c2)c2ccccc2N(Cc2ccccc2)C1=O 547959165 YQYJFYBTMHVSGU-KRWDZBQOSA-N 429.907 5.041 30 20 IKED CCCc1c(NC(=O)c2c(C)ccc(Br)c2C)cnn1-c1cccc(C#N)c1 551999275 RLQMJPGRUBPKIU-UHFFFAOYSA-N 437.341 5.328 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cc2ccccc2s1 557738071 HGUALDWTFIFRTM-INIZCTEOSA-N 441.512 5.381 30 20 IKED N#CCCN(C(=O)c1ccc(COc2ccc(Br)cc2)o1)c1ccc(F)cc1 558142870 HRFLKRIVSAWPNE-UHFFFAOYSA-N 443.272 5.321 30 20 IKED C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1CCN([C@H](C)c2nccs2)CC1 575433482 VLEXVJNDVUDQSS-LJQANCHMSA-N 444.608 5.014 30 20 IKED CCN(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 579313397 NMOQJXGPFAXBSF-XMMPIXPASA-N 444.441 5.138 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 579726864 ZCCDEQDNFZNVEQ-GOTSBHOMSA-N 447.539 5.033 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)cc1 581517731 UELIKXVUVJTUJA-UHFFFAOYSA-N 425.504 5.806 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)o1 603840804 VCJUXOMLRBVJRO-UHFFFAOYSA-N 430.460 5.414 30 20 IKED Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)Nc1sc2c(c1C#N)CCCCCC2 603996678 OUVINNSMFBAHLH-UHFFFAOYSA-N 435.597 5.057 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(Nc3ncccn3)c2)cc1Cl 609164533 QBIFLJFSLXLIJO-QFIPXVFZSA-N 439.906 5.781 30 20 IKED Cc1ccccc1-c1noc(CSCC(=O)Nc2ccccc2S[C@H](C)CC#N)n1 609388945 NFIZGVBYIBXAFF-MRXNPFEDSA-N 438.578 5.311 30 20 IKED COc1ccccc1[C@H]1CCCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609433982 UPLDISGZAMBPQK-XMMPIXPASA-N 427.504 6.118 30 20 IKED CCCc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C(C)C)cc1 609436288 YFQJDUDTWRHMTN-FDDCHVKYSA-N 437.609 5.485 30 20 IKED N#C[C@H](NC(=O)c1sc2cccc(Cl)c2c1Cl)c1ccc(Br)cc1 609588826 XCFNLPNAFQRELE-LBPRGKRZSA-N 440.149 5.965 30 20 IKED CC[C@@H](NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1cccc(Cl)c1 609937918 ISHGEHYUHNCUQX-JOCHJYFZSA-N 433.895 5.210 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)Nc3ccc(C(C)(C)C#N)cc3)s2)cc1 610093008 LWIOXJIQIMMKPV-SFHVURJKSA-N 432.593 6.453 30 20 IKED N#Cc1ccc(NC(=O)c2sc3cccc(F)c3c2COc2ccccc2)cc1C#N 610111887 YSFVCEAGVVBPIG-UHFFFAOYSA-N 427.460 5.615 30 20 IKED C[C@@H](Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N)c1ncc(-c2ccccc2)o1 610150911 JUJMULVSEWSQHA-OAHLLOKOSA-N 441.516 5.296 30 20 IKED COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)CCCCOc2cccc(C#N)c2)C1 610159546 DHQBSKZHVKXEDB-FQEVSTJZSA-N 440.971 5.251 30 20 IKED N#Cc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1C(F)(F)F 610331206 DUIUETICQIAKNH-AOOOYVTPSA-N 433.274 5.172 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N3C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)c2)cc1 610605444 AIDQNELWJKMQAN-CALCHBBNSA-N 427.348 5.115 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1nc(C2CCCCC2)no1 610629394 FCZVHWUAPGWIQU-HNNXBMFYSA-N 432.484 5.059 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c(Cl)c1 611093251 QBCFIVQEBRSUBP-UHFFFAOYSA-N 438.030 5.899 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 613392115 HMTJFUKCCNXWEB-KRWDZBQOSA-N 435.961 6.386 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](c2cccs2)C2CC2)nnc1-c1ccc(Cl)cc1 617895265 JJQWYFHYZLEXAJ-LJQANCHMSA-N 445.013 5.206 30 20 IKED COc1cccc(C(=O)c2ccc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)cc2)c1 682003787 LHDBRIMZHMLLTL-IBGZPJMESA-N 430.460 5.165 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)nnc1-c1ccccc1OC 684999006 UWENOSXSDWPUEU-CYBMUJFWSA-N 446.935 5.052 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1sc(-c2ccc(Cl)s2)nc1C 726754611 OFCMCPIFDFIBOP-UHFFFAOYSA-N 438.965 5.582 30 20 IKED N#C[C@@H](C(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)NC1CCCC1 728147491 HFCDZQCFWMMJRF-QHCPKHFHSA-N 447.966 5.043 30 20 IKED Cc1cc(C)c(NC(=O)COC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(Cl)c1 728667979 IDQYESMOIXUDPT-UHFFFAOYSA-N 434.879 5.416 30 20 IKED CC(C)c1nc(C(=O)OCc2cc(C#N)ccc2F)nn1-c1c(Cl)cccc1Cl 729023255 BOVOAUNPTMDCSG-UHFFFAOYSA-N 433.270 5.065 30 20 IKED CCN(C(=O)Cc1ccc(OCC#N)cc1)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 732961930 FULANJFOSQKCSL-MHZLTWQESA-N 427.548 5.288 30 20 IKED O=S(=O)(O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1sccc1Br 734154240 XECGMJPLTUHSEK-LLVKDONJSA-N 449.697 5.043 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCN(C3CCC(C)CC3)CC2)c1=S 734478228 JACSREVENJRAQC-UHFFFAOYSA-N 446.064 5.074 30 20 IKED O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cnn(CC(F)(F)F)c1 735638208 FXIYUOABYBHWSS-OWOJBTEDSA-N 431.258 5.135 30 20 IKED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 737756420 MNQODARDKCOGPV-FQEVSTJZSA-N 441.434 5.033 30 20 IKED C[C@@H](OC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C(=O)N1CCC[C@@H]1c1cccs1 738752262 DMANSNNQSPTNLD-VGOFRKELSA-N 445.544 5.272 30 20 IKED COc1ccccc1-c1nn(CN(CCC#N)C(C)C)c(=S)n1-c1ccc(Cl)cc1 739840916 AFAMGBCWVUCXLZ-UHFFFAOYSA-N 441.988 5.314 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C\C(=O)c1ccc(N2CCOC2=O)cc1 740765040 NZTWVMBOOLVLRY-QXMHVHEDSA-N 435.911 5.054 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)cc1 741059513 SQYAMLWIMSGUHE-RXVVDRJESA-N 440.330 5.504 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)c1ccc(COc2ccc(Br)cc2)o1 741639689 MFFMVMZUSYDRCE-UHFFFAOYSA-N 444.256 5.025 30 20 IKED COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=S)Nc1ccccc1C#N)CCO2 741860586 MOHOTHPPUJLFLP-HSZRJFAPSA-N 429.545 5.290 30 20 IKED CC(C)=CCOc1cccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1 744025199 ISGSCAAXSFGBDF-IBGZPJMESA-N 430.476 5.307 30 20 IKED CCN(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)[C@H](C)c1cccc(C(F)(F)F)c1 746143664 FOPVDYZRLREJKL-BEFAXECRSA-N 438.453 5.326 30 20 IKED COc1ccc(/C=C\C(=O)c2c(C)nn(C(C)C)c2C)cc1OCc1ccc([N+](=O)[O-])cc1 746345316 DBCPKYYZGCILSF-WQLSENKSSA-N 449.507 5.473 30 20 IKED CC(=NNc1oc(C(C)(C)C)nc1C#N)c1ccc(OCC(=O)Nc2ccccc2C)cc1 746498167 RUPLTEWLKCTAHM-UHFFFAOYSA-N 445.523 5.006 30 20 IKED N#CCCn1cc(C(=O)COC(=O)c2ccc(CCC(F)(F)F)cc2)c2ccccc21 751886863 IIQINFWMYLLSHV-UHFFFAOYSA-N 428.410 5.090 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc([N+](=O)[O-])cc1F 755641846 ZBPYJSXYPAIQOX-ZWNOBZJWSA-N 431.395 5.116 30 20 IKED C#Cc1cccc(N(C)Cc2csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n2)c1 756510235 SRXRZNBTQZUBNK-UHFFFAOYSA-N 429.467 5.464 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC1CCC(O)(c2ccccc2)CC1 760928046 HEMLLUMXFJVWHC-UHFFFAOYSA-N 441.531 5.611 30 20 IKED CC(C)(C)c1nn(Cc2ccccc2)cc1/C=C\C(=O)c1ccc(N2CCOC2=O)cc1 763291294 ZOFFPKSDUGOHQS-KAMYIIQDSA-N 429.520 5.082 30 20 IKED C=CCn1c(-c2cccnc2)nn(CNC2(c3cccc(C(F)(F)F)c3)CCC2)c1=S 764135563 QXDRWYKBRFMYCM-UHFFFAOYSA-N 445.514 5.307 30 20 IKED C=CCn1c(=S)sc2c(=O)n(CCC(C#N)(c3ccccc3)c3ccccc3)cnc21 766069048 VWJHVVNHKCMHCL-UHFFFAOYSA-N 444.585 5.075 30 20 IKED Cc1nc(CON=C(N)c2ccc(OCc3cccnc3)cc2)oc1-c1ccc(Cl)cc1 768516932 HXQGZUMJIRHAPD-UHFFFAOYSA-N 448.910 5.115 30 20 IKED CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)c1 772985693 WLNJYTOFIOFMLI-QRWLVFNGSA-N 425.985 6.304 30 20 IKED C[C@H](OC(=O)c1ccc(-c2nc3ccccc3s2)o1)C(=O)N(CCC#N)c1ccccc1 773998398 KJOGFKRIXDVDHD-INIZCTEOSA-N 445.500 5.048 30 20 IKED CC(=O)N(c1nc(C=NN[C@@H](Cc2ccccc2)C(C)C)cs1)c1ccc(F)cc1F 777449740 YSGVHHJRLIMKAO-NRFANRHFSA-N 442.535 5.297 30 20 IKED FC(F)Oc1ccc(NC(=S)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)cc1 778530871 AYULXOLIDNYROQ-CYBMUJFWSA-N 442.356 5.479 30 20 IKED CC[C@H](NC(=O)[C@@H](C#N)C(=O)c1cc2cc(Br)cc(C)c2o1)c1ccccc1 787036201 HQAPFIOPLNMXEN-ROUUACIJSA-N 439.309 5.094 30 20 IKED N#C[C@@H](C(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1nccc2ccccc12 792093033 GWQQNVTZRBRMFI-QFIPXVFZSA-N 432.483 5.040 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C(F)F)nn(C)c3s2)cc1 796628390 BZEXPJCSDIXZCP-ABAIWWIYSA-N 430.480 5.047 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(COC(=O)c2cc(C#N)ccc2Cl)cs1 803833545 YINOFRCNLOYJLF-UHFFFAOYSA-N 425.897 5.018 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1COC(=O)NC1CCCCC1 806452325 WFYSZUPSAADOCU-OAQYLSRUSA-N 427.589 5.594 30 20 IKED C#C[C@H](NC(=O)N1CCC(c2noc3cc(F)ccc23)CC1)c1ccc(Cl)cc1F 811917058 HCENYXUCIANNCF-IBGZPJMESA-N 429.854 5.023 30 20 IKED N#CCSc1ccccc1C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 812301529 KNLCXEXCVFCNIV-UHFFFAOYSA-N 444.379 5.364 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C=C1CCN(C(=O)OC(C)(C)C)CC1 815103588 USGCZBUDSJEOHH-UHFFFAOYSA-N 447.535 5.555 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 914515019 GJVBGSLFQRTJDG-FOCLMDBBSA-N 449.554 5.043 30 20 IKED Cc1sc2ncnc(N3CCC(C(=O)[C@@H](C#N)c4nc5ccccc5s4)CC3)c2c1C 915098798 CWYVUVARPXXHOP-MRXNPFEDSA-N 447.589 5.011 30 20 IKED Cc1oc(-c2ccccc2)nc1CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915104179 MSWZMVFHVKAJMO-HNNXBMFYSA-N 441.434 5.698 30 20 IKED CC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915180588 PPBOOLHRHVNADL-QHCPKHFHSA-N 443.572 5.211 30 20 IKED COC(=O)c1ccc(COc2ccc(/C=C\C(=O)c3c[nH]c4ccccc34)cc2OC)o1 915271538 ZSYDXFXINSNDBY-YFHOEESVSA-N 431.444 5.031 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(C2CCCC2)C1=O)Nc1ccc(F)cc1F 916212539 XEMOSYWNESGCRH-IBGZPJMESA-N 447.482 5.007 30 20 IKED COc1cccc2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)oc12 916906980 GJGIEBWAPBPCPT-GOSISDBHSA-N 426.428 5.195 30 20 IKED N#C[C@@H](C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1cccc2ccccc12 916915965 LYOCFISEGSHVJO-MZEUMTGBSA-N 442.824 5.873 30 20 IKED Cc1oc(-c2cccs2)nc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916975772 FGSGVTPZIRFITL-CQSZACIVSA-N 425.922 5.979 30 20 IKED N#C[C@H](C(=O)CSCc1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ccc2s1 917045179 WLHSSKWYSPNNHP-CQSZACIVSA-N 440.899 6.078 30 20 IKED CC(C)c1ccc(OC2CCN(CC(=O)[C@H](C#N)c3nc4ccccc4s3)CC2)cc1 917136563 GTKIYQGRWPSGSP-NRFANRHFSA-N 433.577 5.139 30 20 IKED C#CCN(Cn1nc(-c2cccnc2)n(-c2ccccc2)c1=S)[C@@H]1CCc2ccccc21 917457054 QHKYWEIQFPBUEG-XMMPIXPASA-N 437.572 5.045 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(N4CCSCC4)cc3)cc2)cc1 921119725 VCHDNYSULFVEHN-UHFFFAOYSA-N 444.560 5.225 30 20 IKED Cc1cc(C)c(C#N)c(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)n1 1651584368 ROERAKVZXHXHDF-UHFFFAOYSA-N 428.970 5.386 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cccc(C)n3)CCC2)cc1 1786102240 OBZCLUXUOOOPLY-WUKNDPDISA-N 429.564 5.306 30 20 IKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)CC3CCCC3)cc2)CCC1 1787615284 KHYLTYNGCVNHGF-OUKQBFOZSA-N 436.577 5.201 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3noc4ccccc34)cc2)CCC1 1788172145 AESHIBQECMHDRK-OAQYLSRUSA-N 443.547 5.273 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCc3cccc(Cl)c31)C2 1792572550 AULGOSSPEFYCMU-IYWMVGAKSA-N 429.004 5.000 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2ccccc2C)[C@H]1c1cccnc1 1812747004 HSBUGUCXZBAFSF-AZGAKELHSA-N 447.623 5.021 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3cnccc3c2)n[nH]1 1818644867 XNHXCRVTLPLLAM-FYYLOGMGSA-N 443.551 5.032 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](CC)CC2)[nH]n1 1819310063 OUODALGQHHKVPS-VMBXEPDQSA-N 426.605 5.387 30 20 IKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)[C@@H](C)CC)[nH]n1 1822389935 OHCIFZHEAKSOPW-JTJYXVOQSA-N 434.584 5.035 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cccc([N+](=O)[O-])c1)=C(/S)Nc1ccc(C)cc1C 10168435 LGZADFYDQVSEKA-UHFFFAOYSA-O 434.541 5.112 30 20 IKED C[C@@H](OC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)C(=O)Nc1ccccc1C#N 19165048 NXKRLXTXKFSSMO-QGZVFWFLSA-N 437.455 5.064 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccccc1 21754706 NUBGDPGEFIHNNH-MRXNPFEDSA-N 426.973 5.521 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 22730318 VPMSPMKGRNDQHW-UHFFFAOYSA-O 447.552 5.559 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 24649505 GPTAMYYSMAXLLF-GOSISDBHSA-N 441.531 5.514 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1cccc(C#Cc2cccs2)c1 27861701 HOSFEEWDRQGBBP-UHFFFAOYSA-N 432.526 5.615 30 20 IKED C=CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1ccccc1 59776217 DUTPZPQCTUOPRK-UHFFFAOYSA-N 449.605 5.064 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccccc1Oc1ccc(Cl)cc1 63423068 NNHAAPMRUDYYGV-UHFFFAOYSA-N 445.906 5.157 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 63641511 ZNQZDILPPGLAOS-MRXNPFEDSA-N 441.447 5.790 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc3ccccc3c2)nnc1-c1ccccc1F 195569523 ZBLRXHOSHYPEJZ-MRXNPFEDSA-N 432.524 5.543 30 20 IKED C=CCn1c(SCc2noc3c2CCCC3)nnc1-c1ccc(Br)cc1 217008875 BGGBEBGPTWMPJJ-UHFFFAOYSA-N 431.359 5.053 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3ccc(NC(=O)c4ccncc4)cc3)c2)c1 238111496 QOJBRTOUSKQPTE-UHFFFAOYSA-N 448.526 5.074 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1ccco1)Cc1cccs1 303406294 SLMKZSUFXUVDPZ-KRWDZBQOSA-N 425.579 5.376 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)c2cccc(COc3cccc(C#N)c3)c2)c(OC)c1 303587549 GSJLMSORYFHRGB-VWLOTQADSA-N 442.515 5.132 30 20 IKED Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 432196697 SCBRGKSODFVVRF-SFHVURJKSA-N 442.302 5.042 30 20 IKED CC(C)c1nc(C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)no1 432758404 QDRXQJFZTKRDCF-UHFFFAOYSA-N 431.496 5.268 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N[C@@H](c3cc(F)ccc3F)C(F)F)s2)cc1 432898824 STENCZBKUSJXPD-KRWDZBQOSA-N 434.418 5.012 30 20 IKED C[C@]12CCN(C(=O)Nc3ccc(OCC(F)(F)F)c(C(F)(F)F)c3)C[C@H]1C2(F)F 432947709 DRUMGRUIVGCVGR-OCCSQVGLSA-N 432.311 5.156 30 20 IKED N#C[C@@H](C(=O)c1ccc2c(ccn2Cc2ccccc2)c1)c1nc2ccccc2n1C(F)F 433116248 QYCLXCXWNHCHRC-FQEVSTJZSA-N 440.453 5.924 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)Nc1ccc(SC2CCCC2)cc1 437443078 SYNSZFVEGHHXAY-MRXNPFEDSA-N 439.606 5.550 30 20 IKED COc1cccc(Oc2ccc(N[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)cc2)c1 439574577 QYQWDIVNSZWGEU-SFHVURJKSA-N 433.483 5.374 30 20 IKED CCCc1c(NC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cnn1-c1cccc(C#N)c1 439676611 WUXCHWYJNZJBMF-KRWDZBQOSA-N 427.508 5.668 30 20 IKED Cc1cccc(-n2ncc(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)c2C(F)(F)F)c1 443887857 XNHYANGYLGIQLK-UHFFFAOYSA-N 438.331 5.342 30 20 IKED COc1ccccc1-c1noc([C@H](C)NCCC(C#N)(c2ccccc2)c2ccccc2)n1 444686198 BWRDWOHOABECNH-FQEVSTJZSA-N 438.531 5.296 30 20 IKED Fc1cccc(-c2cnc(CN[C@@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)o2)c1 444736587 AFUPMVGPJQBOAC-INIZCTEOSA-N 432.339 6.283 30 20 IKED N#CCCCn1cc(C(=O)Nc2cc(-c3ccc(OC(F)F)cc3)no2)c2ccccc21 444805788 SJAIMQLPFXHTSM-UHFFFAOYSA-N 436.418 5.454 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 447364815 DUSDKKOGWDGRPX-CHWSQXEVSA-N 436.364 5.061 30 20 IKED C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 460930481 IMBJFVFRZACCAZ-HXUWFJFHSA-N 428.367 5.488 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(c4noc(C5CC5)n4)CC3)c2)cc1 462247870 RNWYWZKBKXPDAW-UHFFFAOYSA-N 429.480 5.022 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)nn1-c1c(F)cccc1F 468778339 BSVWFLIVXXTZAR-GFCCVEGCSA-N 428.851 5.212 30 20 IKED CC(C)(C)OC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 469505542 UZDVFYCKRJJSER-UHFFFAOYSA-N 427.932 5.815 30 20 IKED Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1C 470564451 PGQWIQKZMQSPMW-DEOSSOPVSA-N 430.552 5.255 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 470597398 FHLIAIWCEWDQKU-NRFANRHFSA-N 443.469 5.440 30 20 IKED Cc1c(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cccc1NC(=O)N(C)C 471325474 CRXHJLNYTAGYQA-UHFFFAOYSA-N 432.455 5.144 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(Cl)c1Oc1cccnc1 472849030 HRDJRBAMMMFFOZ-UHFFFAOYSA-N 435.911 5.071 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)Nc1ccccc1SC[C@@H](C)C#N 477590772 TUIGUKOGHSZMCO-STQMWFEESA-N 439.507 5.197 30 20 IKED N#CC1(NC(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)CCN(Cc2ccccc2)CC1 479238640 DUWGEKHVADTAJV-UHFFFAOYSA-N 447.485 5.045 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@@H](c3ccccc3)[C@H]3CCCO3)cc2F)c1 481567097 AYHMHMOIDNOPMC-RPBOFIJWSA-N 445.494 5.318 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1ccc2ncsc2c1 486510769 GJAMTTCMYSADAH-KRWDZBQOSA-N 442.544 5.938 30 20 IKED O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 488348932 PZVPJBDUDMFCBR-LBPRGKRZSA-N 436.318 5.076 30 20 IKED Cc1cc(CSc2ncccc2C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)no1 493944558 JPYZIJYUMWWRIV-UHFFFAOYSA-N 442.500 5.587 30 20 IKED C=CCN(CC=C)C(=O)[C@@H](C)Sc1nnc(-c2ccc(OC)cc2)n1C1CCCCC1 501545562 JVEWWSWATUTOAY-GOSISDBHSA-N 440.613 5.140 30 20 IKED N#C[C@@H](NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1ccc(Cl)cc1 505796700 QEMKMACHJCMHAN-OAQYLSRUSA-N 432.936 5.275 30 20 IKED COCCC[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccc(Cl)cc1 508534692 YWJFSTYGVOPWQV-OAQYLSRUSA-N 425.960 5.096 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2Cl)C(C)C)nnc1-c1ccc(F)cc1 510581226 RYVNNFLNYXQPCY-IBGZPJMESA-N 444.963 5.679 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1csc(Cc2ccccc2)n1 514559502 OPCLWOBNSJQVES-UHFFFAOYSA-N 426.501 5.354 30 20 IKED COc1cc(C#N)ccc1OCC(=O)N[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 516142763 YYZFTHYOCURKQU-HSZRJFAPSA-N 441.314 5.158 30 20 IKED C=CCN(Cc1cccs1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 516199618 ORHCPBRBUHKYDO-FQEVSTJZSA-N 438.515 5.632 30 20 IKED C[C@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(OCC(F)(F)F)cc1 516759177 TZDKYLNFCUHWGB-AWEZNQCLSA-N 444.375 5.058 30 20 IKED CCc1nc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)nn1-c1ccccc1Cl 517518833 VSSYAQDXYJZNRM-AWEZNQCLSA-N 425.945 5.130 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 517530392 TVDUVBAUTMRLAI-GOSISDBHSA-N 443.016 5.474 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc1 518301081 XBBPZOYYNJTMOT-UHFFFAOYSA-N 445.482 5.099 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3nccnc3-c3nc4ccccc4s3)cc2)cc1 519977023 ZDWRNBWYEOUXFA-UHFFFAOYSA-N 449.495 5.670 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)N1CC2(CCC2(F)F)C1 520462906 HDYFBAYOKOQNCC-UHFFFAOYSA-N 434.352 5.623 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(Oc3ccncc3)cc2)cc1 520706670 DRKFXCNOFWLAMH-UHFFFAOYSA-N 425.419 5.929 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)c1 521929717 LSAZLYKPOUUWCV-UHFFFAOYSA-N 445.494 5.066 30 20 IKED N#C[C@@H](C(=O)c1ccc(=O)n(-c2cccc(F)c2)c1)c1nc(-c2ccc(Cl)cc2)cs1 530723362 UNJGVBCDBDBSLT-IBGZPJMESA-N 449.894 5.244 30 20 IKED CC[C@H](C)n1ncc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1C1CC1 534235396 XXMXTWCPLJOKRS-KRWDZBQOSA-N 429.524 6.348 30 20 IKED CC(C)Oc1cccc(CN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 535210674 JDESVQGEZXKKAN-UHFFFAOYSA-N 443.547 5.783 30 20 IKED C[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccc(-c2ccc(F)cc2)cc1 537714798 DKIYUYKOYLRPOK-SFHVURJKSA-N 429.495 5.351 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](CC(F)(F)F)c1ccc(F)cc1 538176951 YVSWWMKOQZLUMQ-KDOFPFPSSA-N 439.478 5.442 30 20 IKED CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(C4(C#N)CC4)cc3)cc2)cc1 539593652 OUZDCEUVNTURLX-UHFFFAOYSA-N 425.488 5.145 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)Nc1cc(C)n(CCC#N)n1 539715698 OHVWTIRZDDRPEB-CQSZACIVSA-N 428.949 5.073 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)cc2)c1 540556043 YEXWMPRRMBGVQB-PKTZIBPZSA-N 435.430 5.280 30 20 IKED COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 542106737 WMAWZNNVCRDPCY-RBUKOAKNSA-N 443.547 5.310 30 20 IKED CSc1cc(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1NC(C)=O 542926881 ARRMHGFJTOBACQ-INIZCTEOSA-N 429.545 5.397 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)n1 543888620 VEZHGAZITXGEOP-SFHVURJKSA-N 426.307 5.420 30 20 IKED C[C@H](N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc(OCc2nccn2C)cc1 543960909 FNCAVQACKAYITN-SFTDATJTSA-N 436.559 5.950 30 20 IKED C=C(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@H](c2cccs2)C1 549292410 QMJATHRHQCSESF-NRFANRHFSA-N 431.565 5.017 30 20 IKED C[C@H](NCCc1cccc(C(F)(F)F)n1)c1ccc(OC(F)F)cc1OC(F)F 551240258 HHCRCHBUTDUOFZ-JTQLQIEISA-N 426.332 5.197 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](CCO)c1ccc(Cl)cc1 554188924 JWSHRXFJNQCVBW-DEOSSOPVSA-N 449.938 5.344 30 20 IKED C=CCn1c(CSc2ccc(C)cc2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 558451533 BGXRFKXYMMATNY-UHFFFAOYSA-N 449.624 5.065 30 20 IKED C=CCn1c(SCc2nc([C@@H](C)C3CC3)no2)nnc1-c1ccc(Cl)cc1Cl 562237416 XDWJFJQXACYVBO-NSHDSACASA-N 436.368 5.627 30 20 IKED CCOC(=O)Cc1ccccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 572037473 JCOFSTBUFHEHJJ-UHFFFAOYSA-N 434.879 5.362 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N(Cc3cccs3)[C@@H]3C=C[C@H](CO)C3)c2)cc1 574353964 FYVCUECAIOYFAH-PZJWPPBQSA-N 445.544 5.383 30 20 IKED Cc1csc(C2(NC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CCCC2)n1 576310863 PIKIHMMMULUGIK-UHFFFAOYSA-N 446.576 5.688 30 20 IKED CN(C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)[C@H]1CC[C@@H](C(F)(F)F)CC1 578362966 HBHAXBPPWDGINC-WDMOLILDSA-N 434.783 5.845 30 20 IKED C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N(C)CCOCc1ccc(C#N)cc1 578914604 GRXJJOSFEFDEOZ-AWEZNQCLSA-N 431.323 5.125 30 20 IKED CCCc1c(NC(=O)N(C)[C@H](CC)c2cccc(OC)c2)cnn1-c1cccc(C#N)c1 582870089 UBMWOMRRLDLOGC-HSZRJFAPSA-N 431.540 5.320 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1c(C)nn(CC(C)C)c1C 609061189 LPQBZJWPTBFRRJ-UHFFFAOYSA-N 444.579 5.486 30 20 IKED C[C@H](NC(=O)CC1CCCCC1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609164446 OSWOKOBYSIMOBH-HTAPYJJXSA-N 437.971 5.409 30 20 IKED C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1cccc(N2CCCC2=O)c1 609208853 NBXCAZXLJAOYRA-GOSISDBHSA-N 440.503 5.360 30 20 IKED N#Cc1ccc(CNC(=O)c2oc3ccccc3c2COc2ccccc2Cl)c(F)c1 609228763 PBZFULABNJQQOA-UHFFFAOYSA-N 434.854 5.606 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cc(Cl)c2c(c1)OCCCO2 609434703 KFGZMLXKZXFIMH-AWEZNQCLSA-N 431.945 5.217 30 20 IKED CC1CCN(Cc2ccc(CNC(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)CC1 609438217 GAULVQZSYMHMGB-HXUWFJFHSA-N 436.625 5.634 30 20 IKED CCN(C(=O)c1cc2ccccc2n1CC#N)[C@@H](c1cccnc1)c1ccc(F)cc1F 609577567 UMABQITTXLLXCA-DEOSSOPVSA-N 430.458 5.090 30 20 IKED N#C[C@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)c1ccc(Br)cc1 609588580 AMBIANKKWUURFF-HNNXBMFYSA-N 434.746 5.026 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N(CCc3ccccc3)Cc3cccnc3)c2)c1 609661810 DOISJFLDESUZTE-UHFFFAOYSA-N 447.538 5.417 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(OCC(F)(F)F)n1 610042196 KFMDHNWKELFPJO-UHFFFAOYSA-N 427.382 5.247 30 20 IKED C[C@H](C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccccc1C(F)(F)F 610224998 VHUKVXVCTWGQRG-HNNXBMFYSA-N 437.421 5.572 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)N[C@@H](C)C(=O)N(CCC#N)c1ccccc1 610341876 DKEOOFNMNLKMDR-WMZOPIPTSA-N 436.556 5.244 30 20 IKED C[C@@H](NC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1)c1cccc(C#N)c1 610407092 SGHBILYGPKQPAG-QGZVFWFLSA-N 445.394 5.234 30 20 IKED CCOC(=O)CCC1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 610981835 MSSDIWVUWJIQNJ-UHFFFAOYSA-N 440.927 5.199 30 20 IKED CCCc1c(NC(=O)Nc2ccn([C@@H](C)c3ccccc3)n2)cnn1-c1cccc(C#N)c1 615256093 WYNAQLUMPIVKAN-SFHVURJKSA-N 439.523 5.146 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N2CCC(c3c[nH]c4c(CC)cccc34)CC2)cc1 615519142 ZNNWPEZMPXLTTD-UHFFFAOYSA-N 430.552 5.058 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)nnc1-c1cccc(C)c1 617939621 QBSHVHWKNAFGCY-INIZCTEOSA-N 426.973 5.521 30 20 IKED C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618449002 DFRDNWBIGMMGTD-ZMLRMANQSA-N 436.318 5.095 30 20 IKED CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)Nc2ccccc2C#Cc2ccccc2)CC1 673766047 AWFFBPDVSOMGKC-MHZLTWQESA-N 443.591 5.121 30 20 IKED N#C[C@@H](C(=O)Cc1c[nH]c2cc(Cl)ccc12)C(=O)Nc1ccccc1Oc1ccccc1 727953838 PEESYLXUMMYBTN-FQEVSTJZSA-N 443.890 5.504 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)Nc1ccc2c(c1)OCCCO2 727978691 LCZQFSIHSQZEKH-UHFFFAOYSA-N 445.544 5.416 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)Nc1ccc2c(c1)OCCO2 727979062 UKUFBUDSXDSWBN-UHFFFAOYSA-N 431.517 5.026 30 20 IKED CC(C)c1ccccc1NC(=O)CNc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728053264 YSOLHRXJIUXTIS-UHFFFAOYSA-N 433.939 5.965 30 20 IKED C#Cc1cccc(N(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)C(C)C)c1 728247865 KZIZWBWQASFUFM-UHFFFAOYSA-N 438.984 5.133 30 20 IKED C[C@H](Nc1ccc(OCc2cccnc2)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 728592063 VJMFZMZZTYJQPT-KRWDZBQOSA-N 446.576 5.302 30 20 IKED CC(=NNc1nc2ccccc2c(=O)n1C)c1c(F)cccc1O[C@H](C)c1ccccc1 730144581 BWIDAPLIUGCPHE-QGZVFWFLSA-N 430.483 5.049 30 20 IKED CC(C)COc1ccc(CC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 730398003 CQKNUYYKDCNWKO-KRWDZBQOSA-N 432.467 5.769 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 731542083 SXORUNSMWYNKJL-AOMKIAJQSA-N 444.000 5.712 30 20 IKED N#CCOc1ccc(CC(=O)N(c2cccc(Cl)c2)c2nc3ccccc3s2)cc1 731957192 UNUIYJYQTKYUSI-UHFFFAOYSA-N 433.920 5.759 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccc(Br)s1 733081043 KWIHSCVBXZWVEF-UHFFFAOYSA-N 442.264 5.218 30 20 IKED CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C1CCN(Cc2ccccc2)CC1 733621376 KAQUUFOURYUPLW-HHHXNRCGSA-N 438.575 5.470 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Cc2cccc(OCc3cccc(C)c3)c2)c1 733775020 NLZWKLOXEBVHNE-XMMPIXPASA-N 428.532 5.114 30 20 IKED CC[C@@H](C#N)Oc1cccc(CN[C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)c1 733798238 RVOJKIGXMNNYKV-NVQXNPDNSA-N 443.547 5.154 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cccc(Cl)c2OC(C)C)ccc1OC 735753691 YGVFFEBSJULGTB-INIZCTEOSA-N 431.920 5.138 30 20 IKED N#CCSc1ccccc1C(=O)NCc1ccc(Oc2cccc(Cl)c2Cl)cc1 741705651 XQDMQHCWIXJVKP-UHFFFAOYSA-N 443.355 6.331 30 20 IKED Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)/C=C/c1ccccc1C#N 741740898 XPMPPLMOKYASFR-SDNWHVSQSA-N 438.506 6.255 30 20 IKED COc1ccc(/C=C2\SC(=S)N(CCSc3ccc(Cl)cc3)C2=O)cc1C#N 743280624 SHMDKWGYNRIULI-WQRHYEAKSA-N 447.006 5.214 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)o2)c1 744598720 GIBLBFZMDARPOK-UHFFFAOYSA-N 448.438 5.287 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1 746256438 RSESVTYQHQEJEG-YKSBVNFPSA-N 448.469 5.357 30 20 IKED CCOc1c(Cl)cc(C=NO[C@H](C)C(=O)Nc2cccc(Cl)c2C)cc1OC 749539137 WWFHRFPRCXNPLH-CYBMUJFWSA-N 425.312 5.087 30 20 IKED C/C(=C\C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccc(Cl)c1 750574617 VHCNESPKKNVCIT-STTHAQSSSA-N 428.941 5.319 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(OC)c(OC3CCCC3)c2)cc1C#N 752188442 IIPJGGDHSSTZOJ-UHFFFAOYSA-N 438.484 5.101 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2cccc(Cl)c2o1 753517807 SXVSKLKCBLEYLD-CYBMUJFWSA-N 428.897 5.276 30 20 IKED Cc1ccsc1[C@@H](Cc1ccccc1)NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 754361828 XUJYFJVVKNYJOM-RBBKRZOGSA-N 438.556 5.167 30 20 IKED C=C(C)[C@H](CC(=O)Oc1cc2ccccc2cc1C(=O)Nc1ccccc1OC)OCC 756507692 GAKVVEFTOBNGAR-QHCPKHFHSA-N 433.504 5.377 30 20 IKED COc1ccc(OC(F)F)c(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 757201051 XUPHIBSXGDZLLC-NRFANRHFSA-N 437.446 5.274 30 20 IKED C#CCNC(=S)/C(=C(/O)c1ccc(C(C)C)cc1)[n+]1ccc(Cc2ccccc2)cc1 759064233 UZQMRUZXASOUQH-UHFFFAOYSA-O 427.593 5.122 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(F)cc2N(C)C)cs1)c1ccc(F)cc1F 759609354 HUQIDHNJDDTOJL-RMKNXTFCSA-N 445.466 5.207 30 20 IKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Nc1ccc(F)cc1OCC#N 760800384 DHAMYCNJWLTZFZ-UHFFFAOYSA-N 447.297 5.019 30 20 IKED COc1cc(C(=O)/C=C\c2ccc(F)c(Cl)c2Cl)ccc1S(=O)(=O)C(F)F 761475957 HALZXPXVOZSJTN-UTCJRWHESA-N 439.238 5.034 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cn1nc(-c2ccco2)n(Cc2ccco2)c1=S 765046661 GBCUWAITALCANG-SFTDATJTSA-N 445.548 5.045 30 20 IKED CC(C)c1ccc(N2Cc3ccc(NC(=O)NCc4ccc(OCC#N)cc4)cc3C2)cc1 772585687 RFGUCRVCYRPLDF-UHFFFAOYSA-N 440.547 5.554 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(C(F)(F)F)cnc2Cl)cc1 779619336 XQPKROIRFJIYMM-UHFFFAOYSA-N 447.800 5.679 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 780147465 HIPWRJYWPXGFRG-JTSKRJEESA-N 447.922 5.131 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(COc2ccc(Br)cc2)o1 780163323 YLJXWLBIWPSLLG-AWEZNQCLSA-N 441.281 5.164 30 20 IKED COc1cccc([C@H](NC(=O)Nc2ccccc2O[C@@H](C)C#N)c2ccccc2Cl)c1 780672414 DLZMOGKNTKZHGU-HJPURHCSSA-N 435.911 5.551 30 20 IKED COc1ccc(C[C@H](NC(=O)Nc2ccccc2O[C@@H](C)C#N)c2ccc(OC)cc2)cc1 780674171 KRDUVNANKZLLOY-UUOWRZLLSA-N 445.519 5.100 30 20 IKED Fc1ccc(CN(CC(F)(F)F)C(=S)Nc2cccc(OC(F)(F)F)c2)cc1 783741473 WNXCGIODJZKBFY-UHFFFAOYSA-N 426.357 5.486 30 20 IKED C[C@@H](NC(=O)[C@H](C#N)C(=O)c1cccc(-c2ccoc2)c1)c1ccc(Cl)cc1Cl 787055002 YTFCEWQMQNWCRM-BFUOFWGJSA-N 427.287 5.453 30 20 IKED Cc1ccc(-n2nc(Br)cc2C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cc1 797570529 HVUCMXZLJRFRHS-CQSZACIVSA-N 443.370 5.187 30 20 IKED C[C@H](C#N)OCCSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 801655234 TXOHPSSIDHSQHK-CQSZACIVSA-N 433.364 5.321 30 20 IKED CC(C)C(=O)Nc1ccc(OC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1 804435687 IHZHPODAJHWCED-UHFFFAOYSA-N 439.943 5.018 30 20 IKED N#CCCCOc1cccnc1NC(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 806431248 QHQHSUQDXPRQIA-JOCHJYFZSA-N 430.508 5.074 30 20 IKED N#Cc1cc(Oc2ccc(NC(=S)Nc3ccc(OC(F)(F)F)cc3)cc2)ccn1 811707602 DSTDYBKMEXGJFO-UHFFFAOYSA-N 430.411 5.453 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3cccc(Br)c3)n2)cc1 916650299 BHOHWBUUMJGMLN-SFHVURJKSA-N 425.351 5.690 30 20 IKED COc1cccc(NC(=O)[C@H](C#N)C(=O)CCN2c3ccccc3Sc3ccccc32)c1 916893610 DOGZYDRKLLDLLI-LJQANCHMSA-N 443.528 5.036 30 20 IKED N#C[C@@H](C(=O)CCCCc1nc2ccccc2s1)C(=O)Nc1cc(Cl)cc(Cl)c1 916945574 XJOZCCUYFSVLBG-INIZCTEOSA-N 446.359 5.663 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(Br)cc2)cs1 917557643 DNGPJMVXTKQOLS-FLIBITNWSA-N 445.313 5.625 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(C3CCCC3)C2=O)c1 917702759 IYRYWGIFKYTZOM-JOCHJYFZSA-N 446.576 5.078 30 20 IKED COCCOc1ccc(C(=O)/C=C\c2csc(COc3ccc(Cl)cc3)n2)cc1 918712953 DSNQAPAQWCSAQV-WDZFZDKYSA-N 429.925 5.297 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 919778237 QNNCKYSLLDTLQX-UHFFFAOYSA-N 432.524 5.239 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2ccc(N3CCCCCC3)cc2)n1 921184065 PZZGVKGNRDIHLT-UHFFFAOYSA-N 448.514 5.392 30 20 IKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(C(C)(C)C)oc3C)cc2)CCC1 1787390315 ZAJHGOIIZDHAOF-SFHVURJKSA-N 438.568 5.224 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2)CCC1 1788690488 VCNAQRGHDLJOCZ-UHFFFAOYSA-N 446.934 5.761 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4cc(Cl)ccc34)cc2)CCC1 1789350906 NWZJWVCQBJZBOZ-OAHLLOKOSA-N 436.943 5.176 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@]3(F)CCCC=C3F)cc2)CCC1 1792376116 MZQHVQWDKHJDBV-CJFMBICVSA-N 428.523 5.635 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3cccnc23)[nH]n1 1814443363 VKIWWLHFDSCZHZ-OAQYLSRUSA-N 445.567 5.256 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccsc3[nH]2)[nH]n1 1814828610 QOKCHWBYFHIWMG-LJQANCHMSA-N 437.569 5.027 30 20 IKED Cc1ccsc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1816350895 GXJDIUICEOPUHQ-OXQOHEQNSA-N 447.564 5.026 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(OC)c2C)CC1 1824145172 CTMFRGHWVODIAH-DEOSSOPVSA-N 438.612 5.005 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(C)cccc3[nH]2)CC1 1828828920 USHQZNWVWGTZHG-NVQXNPDNSA-N 447.623 5.478 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)c2ccc(O)cc2)CC1 1830338439 SVIZALQSKNYYPF-YKSBVNFPSA-N 440.628 5.108 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCc3ccccc32)CC1 1831974780 OVYJTNXJEXRTIB-IZZNHLLZSA-N 434.624 5.105 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cccc3c1oc1ccccc13)C2 1841058425 GNUTWEIDFPWMTH-UHFFFAOYSA-N 430.548 5.395 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(C(C)C)no2)nc2scc(-c3cccs3)c2c1=O 27770392 XPEJLFCVTPBJFD-LBPRGKRZSA-N 444.607 5.732 30 20 IKED C=CCOc1c(Br)cc(CNCc2ccnc(OC3CCCC3)c2)cc1OC 30910730 AAWKWOOLFILXDF-UHFFFAOYSA-N 447.373 5.029 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 60548252 HIIKUGBOMLEYCQ-XMMPIXPASA-N 433.939 5.159 30 20 IKED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CS[C@@H]1CCCc3ccccc31)CCCC2 110312190 CKWNNXSNYXZUQO-YADARESESA-N 449.620 5.167 30 20 IKED COc1cccc([C@@H](CNc2ccc(Cl)c(C#N)n2)c2c[nH]c3ccccc23)c1OC 111219804 UKDGXFSOGYZVHO-GOSISDBHSA-N 432.911 5.349 30 20 IKED C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c2)C1 195729916 RHWUCZMFXKAGAB-QFQXNSOFSA-N 448.611 5.249 30 20 IKED C[C@@H](C#N)Oc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1 207995912 POODDIOTHVWWNN-NJPLLEPOSA-N 445.331 5.472 30 20 IKED Cc1cc(C(=O)Nc2ccccc2SCCC#N)c2ccc(Br)cc2n1 303257631 DNQCIUMSLBPHMS-UHFFFAOYSA-N 426.339 5.564 30 20 IKED COc1ccc([C@@H](C)CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 303968375 ZGXDOLVTZABIHB-IBGZPJMESA-N 430.573 5.783 30 20 IKED COc1cccc(-c2ccc(CNC(=O)c3occc3COc3cccc(C#N)c3)cc2)c1 304083067 WCGKVNHDFVBJAN-UHFFFAOYSA-N 438.483 5.336 30 20 IKED CCC(CC)[C@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1cccs1 409538481 YGNSSZUMANHQHC-QFIPXVFZSA-N 438.597 5.157 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)nnc1-c1ccccc1 410144357 HAFAXSHXOBMRMH-IBGZPJMESA-N 446.576 5.554 30 20 IKED CCCn1nccc1C1CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 410293009 ZNLWRVWBWJZNLR-UHFFFAOYSA-N 448.954 5.630 30 20 IKED C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1Br 410375246 WUUBOEGZZUIQNW-LLVKDONJSA-N 445.791 5.298 30 20 IKED CCN(C(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)[C@H](C)c1ccc(C#N)cc1 430669608 UBRQILKXMFIGPE-GOSISDBHSA-N 437.499 5.415 30 20 IKED N#CCSc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 432224465 AFXLGDMZXRQBFO-MRXNPFEDSA-N 444.368 6.223 30 20 IKED CC1(C)CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@@H]1c1cccnc1 432791421 GCELNETWOCLBJW-HSZRJFAPSA-N 430.483 5.286 30 20 IKED O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)N[C@@H](c1cc(F)ccc1F)C(F)F 433213240 CGTISUMMHHGLQQ-ZDUSSCGKSA-N 448.298 5.162 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 436340185 RICRMWVGLVVKBD-LADGPHEKSA-N 440.503 5.119 30 20 IKED Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1ccccc1Sc1ccccc1C#N 437909407 RQCWEZORSNMMBJ-UHFFFAOYSA-N 430.533 5.364 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@H](Cc3ccccc3)C2)cc1 437910649 QPNCUVAKKTXKHV-HSZRJFAPSA-N 425.532 5.428 30 20 IKED N#Cc1ccc(CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c(Cl)c1 438884702 HBVQPWPLJOHBOZ-UHFFFAOYSA-N 426.712 5.773 30 20 IKED Cn1nccc1[C@@H]1CCCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 439359809 ZNUTYIQPNLCGFX-REWPJTCUSA-N 433.943 5.488 30 20 IKED COCCOCc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1F 442675202 BBBSVPHTXIOLPH-GOSISDBHSA-N 444.915 5.256 30 20 IKED C=CCN(C(=O)[C@@H]1SCCc2sccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 443818693 SRKQMKFNZLDRFW-GOSISDBHSA-N 443.575 5.329 30 20 IKED C=CC[C@@H]1N(C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)CCCC1(C)C 444901248 KGVRLDWOEKERGT-QFIPXVFZSA-N 432.630 5.533 30 20 IKED C[C@@H](C(=O)N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21)c1cccc(C#N)c1 463773189 BVOSZLNQBOQKRS-QGZVFWFLSA-N 442.494 5.424 30 20 IKED CC(C)(C(=O)Nc1ccc(C#N)cc1Cl)c1csc(-c2c(F)cccc2Cl)n1 464129122 DACKQGFXBBNXQD-UHFFFAOYSA-N 434.323 6.044 30 20 IKED CC(C)c1noc2nc(C3CC3)cc(C(=O)N(CCC#N)C34CC5CC(CC(C5)C3)C4)c12 464356338 WTAQZJFJSCLSQH-UHFFFAOYSA-N 432.568 5.548 30 20 IKED Cc1nnc(-c2cccc(C#N)c2)n1[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 466296701 HYVMWGPHTUHZSB-LLVKDONJSA-N 425.279 5.091 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@H]2CC(=O)c2ccco2)c1 468235183 OYALRCWPYSWSNL-IBGZPJMESA-N 434.879 5.475 30 20 IKED COc1ccc(-c2ncc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)s2)cc1OC 469410063 MSNOBIJIJHJQRG-AWEZNQCLSA-N 439.562 5.331 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 469484023 NIDLMNYTBGSFSO-UHFFFAOYSA-N 435.483 5.257 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 471280280 RLVFNSRLNRDSBL-UHFFFAOYSA-N 431.511 5.617 30 20 IKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N[C@@]1(C#N)CCc2ccccc2C1 472255568 GQXSKQSZNNCNLL-LJAQVGFWSA-N 431.539 5.320 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 472796871 UXXIIUVRZZKIQY-UPVQGACJSA-N 442.515 5.091 30 20 IKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)cc2)cc1 474449642 VCLCKSLINHIIEN-FQEVSTJZSA-N 438.574 5.039 30 20 IKED C=CCn1c(SCc2noc(-c3ccc(OC)cc3)n2)nnc1-c1cccc(Cl)c1 481369012 GNSPAIBKMYQPJN-UHFFFAOYSA-N 439.928 5.135 30 20 IKED COc1cc(OC)c(OC)cc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 483384992 KMSSERBYRSUORA-UHFFFAOYSA-N 438.867 5.282 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(OC(F)F)c3cccnc23)c1 484405373 ZCOPHVJLEDDIQB-UHFFFAOYSA-N 435.386 5.132 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 484602098 RPTCFKZWROQCTJ-ZDUSSCGKSA-N 443.450 5.121 30 20 IKED C[C@@H](Sc1nnc(-c2cc3ccccc3o2)o1)C(=O)N(CCC#N)c1ccc(F)cc1 484752316 MWZQPUNYTSUZOK-CQSZACIVSA-N 436.468 5.049 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N3CCC[C@H]3c3cccs3)o2)cc1 489799118 CECZUQNVGUXOQL-QAPCUYQASA-N 441.578 5.207 30 20 IKED N#C[C@H](C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cn1 489893932 XVDRFDVMRULRFL-SFHVURJKSA-N 441.365 5.078 30 20 IKED Cc1occc1-c1cc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)no1 490176495 OTCJJAOJOFYRFX-UHFFFAOYSA-N 430.439 5.488 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 502101505 RITIOZAQTGIHAM-SJORKVTESA-N 449.366 5.865 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cc1 502382476 WAASOLDJLPSUGD-UHFFFAOYSA-N 442.825 5.233 30 20 IKED N#Cc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)c1 503096798 STRPEBKWZLCYMM-UHFFFAOYSA-N 430.361 5.225 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)cc1 505623099 VJBGNFNJUKTTCZ-OPAMFIHVSA-N 441.487 5.206 30 20 IKED N#C[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1ccccc1Cl 505631209 HPTWGVGMLKNTEK-INIZCTEOSA-N 439.224 5.193 30 20 IKED N#C[C@@H](NC(=O)CCc1nc2cc(Br)ccc2s1)c1ccc(Cl)cc1 505816114 UAUUVQHVYJQCCS-OAHLLOKOSA-N 434.746 5.026 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 509229300 XVECFRMJIOKNQJ-UHFFFAOYSA-N 444.491 6.010 30 20 IKED CCOC(=O)c1sc(-c2ccc(Cl)cc2Cl)cc1NC(=O)CSCC#N 512161196 VLMDKBUFTLICKL-UHFFFAOYSA-N 429.350 5.094 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1OC 513266241 GXUHGCDPXREJGF-GOSISDBHSA-N 430.504 5.036 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)CC1 517665405 BZPLQGPEXFUZDN-JSRAGOMMSA-N 428.454 5.187 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CCCNC(=O)c3ccc(Cl)cc3)cc2)c1 518233442 GKSDSEDPLWKNOC-UHFFFAOYSA-N 433.895 5.153 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(OCc2cn3ccccc3n2)c1 518244916 LAGDCLJCNNZMSD-SFHVURJKSA-N 442.544 5.560 30 20 IKED COc1cccc(/C=C(\CC(=O)Nc2ccc(C#N)cn2)c2nc3ccccc3s2)c1 520316587 XFCBQTHEDXYARG-WOJGMQOQSA-N 426.501 5.141 30 20 IKED CC(=O)N(c1nc(CN(Cc2ccc(C#N)cc2)CC(C)C)cs1)c1ccccc1F 521821354 GDNCBXMAAJYSFH-UHFFFAOYSA-N 436.556 5.497 30 20 IKED CC(C)(C)Cc1nc2cc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)ccc2o1 522782647 FMCHENNVLNLUHE-UHFFFAOYSA-N 432.524 5.363 30 20 IKED Cc1ccc(-c2nc(CCNC(=O)c3cccc(COc4cccc(C#N)c4)c3)co2)cc1 523743410 OWAMXZHIEQIQBM-UHFFFAOYSA-N 437.499 5.073 30 20 IKED N#C[C@H](C(=O)c1ccc(-n2ccnn2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 535553157 GHNDEQMYUTWSOY-MRXNPFEDSA-N 440.315 5.188 30 20 IKED Cc1nc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)sc1SCC#N 535588291 NUEGZZOCFACXTH-UHFFFAOYSA-N 440.937 5.637 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCn1ccc2cc(Cl)ccc21 536167742 RBGGODWHOMTAGY-UHFFFAOYSA-N 430.895 5.691 30 20 IKED CC(=O)N(CCc1ccccc1)CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 536420989 QJLRPXFGAXSCKN-XMMPIXPASA-N 445.950 5.025 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NCc3ccc(-c4ccccc4C#N)cc3)cc2)nc1 536884755 FZMJGYTZASJYLW-UHFFFAOYSA-N 430.467 5.214 30 20 IKED C[C@@H](NC(=O)NCc1ccc(-c2ccccc2C#N)cc1)c1nc(C2CCCCC2)no1 536963839 SZGZPSIHLIBOQP-QGZVFWFLSA-N 429.524 5.216 30 20 IKED C[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1nc(-c2ccncc2)cs1 537507843 WNCRVMPPQIZKLO-GOSISDBHSA-N 426.545 5.507 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1ccc(F)cc1)C1CCCC1 538212015 RAMJLHBQTPHHSU-BXKMTCNYSA-N 425.573 5.537 30 20 IKED N#Cc1c(NC(=O)CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)sc2c1CCCCC2 539278663 UXGVLEQUPFBUJT-KRWDZBQOSA-N 439.478 5.250 30 20 IKED Cn1cc(-c2ccc(F)c(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c2)cn1 541076328 DORSALSNNWJITK-UHFFFAOYSA-N 440.478 5.124 30 20 IKED Cc1cc(C(=O)Nc2ccc(Oc3nncc4ccccc34)cc2)nn1-c1cccc(C#N)c1 541245094 RFHIDNQVFWDXAR-UHFFFAOYSA-N 446.470 5.040 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCC(=O)Nc1cc(Cl)ccc1C#N 541654187 IMDTUXAMHRMKDG-GFCCVEGCSA-N 428.920 5.072 30 20 IKED Cc1sc([C@H](C)NCc2ccc(C#N)cc2OC(F)F)nc1-c1ccc(Cl)cc1 543502935 BLQFZQDSKQLBAL-LBPRGKRZSA-N 433.911 6.096 30 20 IKED CCOc1cc(C#N)cc(Br)c1OCc1nc(C[C@@H](C)c2ccccc2)no1 545756748 QNGHEMVVYDDLOR-CQSZACIVSA-N 442.313 5.028 30 20 IKED COc1cc(Br)ccc1CCCn1cc(C#N)c(=O)c2cc(C)cc(Cl)c21 549202596 YMJRMSQXLLZNBI-UHFFFAOYSA-N 445.744 5.239 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2Cl)c1 550226321 GRUXYJKLEAZBDR-UHFFFAOYSA-N 432.694 5.745 30 20 IKED COCCn1c(S[C@H](C)CCC#N)nc2scc(-c3ccccc3Cl)c2c1=O 550963821 VUYGMIWFSAUQEQ-CYBMUJFWSA-N 433.986 5.209 30 20 IKED O=C([C@H]1CC[C@@H](C(F)(F)F)C1)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 552533666 WRKMBSATNJDANY-QWHCGFSZSA-N 427.360 5.351 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1cc(C(C)(C)C)sc1C#N 553049672 GIQCFHMTEWVZEU-UHFFFAOYSA-N 441.553 5.931 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H]2CCCc3cc(OC)ccc32)cc1 554240511 WNHPWFGZUZKNQJ-DEOSSOPVSA-N 433.552 5.051 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(OC)c(OCc2ccncc2)c1 554382145 CRHAHYLJMVAKIR-UHFFFAOYSA-N 449.555 5.057 30 20 IKED Cn1c(Cc2cccs2)nc2cc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)ccc21 558179342 IGTOQYNOGZNHAO-MRXNPFEDSA-N 440.450 5.129 30 20 IKED C[C@H](NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1cccc(OC(F)F)c1 568790495 DSIHWOPVZWXBDJ-HNNXBMFYSA-N 447.913 5.297 30 20 IKED COc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1[N+](=O)[O-] 572928594 WTWYQWNKGAGZCI-CYBMUJFWSA-N 448.287 5.524 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(N2CCCCC2)CC1 575152615 LPZXFULETUHHIU-IBGZPJMESA-N 444.023 5.102 30 20 IKED N#CC[C@H](Cc1nc(-c2cccc(NC(=O)c3ccccc3F)c2)no1)c1ccccc1 576025455 GVTWJROVIGCBJH-GOSISDBHSA-N 426.451 5.368 30 20 IKED N#Cc1ccc(NC2CC2)c(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c1 578136890 ITOUMCXSCQKPOA-UHFFFAOYSA-N 441.318 5.666 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc2c(cc1Cl)OCCO2 578277068 NIENNRLQNRSXES-AWEZNQCLSA-N 448.997 5.377 30 20 IKED Cc1cc(Oc2ccc(NC(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)cc2)n[nH]1 587973677 MOIFZIWAWNXDIV-UHFFFAOYSA-N 449.942 5.281 30 20 IKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)[nH]c2c1C(=O)CCC2 590276578 BWZWUTLHQAYYAM-UHFFFAOYSA-N 433.895 5.199 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)COCc2nc3ccccc3s2)cc1Cl 603766010 IXZFTLYZBDTVJH-LJQANCHMSA-N 447.947 5.760 30 20 IKED C=C(C)CN1CCC(NC(=O)N(C)[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)CC1 606923157 OPEYKWTUUPXUCY-LJQANCHMSA-N 426.630 5.170 30 20 IKED Cc1cc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c2c(C(C)C)noc2n1 609174912 YUUREPQTPPJOKV-JOCHJYFZSA-N 440.503 5.228 30 20 IKED CCCN(C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12)c1cc(Cl)ccc1C#N 609286062 KJLVMIXDBFQJBD-UHFFFAOYSA-N 448.910 5.990 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1nc2ccccc2n1C(F)F 609434764 OUAXUTYIQVSMLS-ZIAGYGMSSA-N 429.496 5.708 30 20 IKED Cc1cccc(NC2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)c1 610163004 COBDIVFWAIEHFT-UHFFFAOYSA-N 426.520 5.767 30 20 IKED COc1ccc(-c2nc3c(s2)[C@H](NC(=O)N[C@@H]2CCc4cc(C#N)ccc42)CCC3)cc1 618812472 QATUUKSCKUTZBZ-IFMALSPDSA-N 444.560 5.054 30 20 IKED COc1cc(CSc2nc(C)cc(C(F)(F)F)c2C#N)c([N+](=O)[O-])cc1OC(F)F 619263558 PTIHCQIOKYYYCV-UHFFFAOYSA-N 449.357 5.091 30 20 IKED C=CCn1c(-c2cn(-c3ccccc3)nc2-c2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 619741897 NCGFWLQDJJWPHF-HHHXNRCGSA-N 449.562 5.114 30 20 IKED N#Cc1ccc(CNC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1Cl 619766946 LXTFQIWMSUFPIM-UHFFFAOYSA-N 432.936 5.082 30 20 IKED C=CCn1c(S[C@@H](C)c2nc3ccccc3n2C(F)F)nnc1-c1ccc(OC)cc1 648202272 HQABFFPXRXVHQZ-AWEZNQCLSA-N 441.507 5.738 30 20 IKED C=C(C)COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)nc3)C2=O)ccc1OC 727178597 XLPDXGQARUPTCK-RQZCQDPDSA-N 432.954 5.104 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)O[C@H](C)c1cccc(C#N)c1 727635507 IZFORZXIYINMRA-CABCVRRESA-N 426.925 5.793 30 20 IKED N#C[C@@H](C(=O)Cc1c[nH]c2cc(Cl)ccc12)c1nc(-c2c(F)cccc2F)cs1 727957145 MXPJWWIJTGTVAX-AWEZNQCLSA-N 427.863 5.642 30 20 IKED COc1ccc(C(C)=NNc2ccc(C)nn2)cc1CSc1nc2ccccc2s1 729936059 DQOZCYRRQYFRAV-UHFFFAOYSA-N 435.578 5.532 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3nc(C)c(-c4ccccc4)o3)n2)cc1 730396385 OCNXQOOVMGWBJS-FQEVSTJZSA-N 427.529 5.891 30 20 IKED CCCOc1c(Br)cc(/C=C\C(=O)c2c(C#N)c3n(c2C)CCC3)cc1OC 731938324 PIZWARRGSXNFSH-FPLPWBNLSA-N 443.341 5.070 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 732596339 QOAIVAQGUHRUAI-FKBYEOEOSA-N 444.918 5.370 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccccc1OC(F)(F)F 733080298 VDBDFFVTBBTVLH-UHFFFAOYSA-N 441.335 5.292 30 20 IKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(Oc2ccccc2)nc1 733679663 LBVLFFNODCJZMA-GOSISDBHSA-N 426.259 5.142 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)cc2)[n+]2cc(O)cc(Cl)c2)c1 738008337 OSGISYRESSWGGP-UHFFFAOYSA-O 442.347 5.291 30 20 IKED CC(C)(CCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)NC(=O)OC(C)(C)C 739155656 KACKRTCVXQYMTA-MRXNPFEDSA-N 447.988 5.723 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 739155712 SZQOIHUFHLWVGS-FOIQADDNSA-N 430.470 5.671 30 20 IKED CCC(C)(C)NC(=O)c1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 740439335 FZTNGTADIUBDDS-UHFFFAOYSA-N 446.576 5.527 30 20 IKED CSc1ccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 741111665 UZBVEQCJURJYST-FZKQIMNGSA-N 428.966 5.829 30 20 IKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(N4CCOC4=O)ccc3F)c2C#N)C1 741522243 VPDYLMYITFLRJL-ZDUSSCGKSA-N 441.528 5.119 30 20 IKED CC(=NNc1cc(C)c2ccc(C)c(C)c2n1)c1ccc(S(=O)(=O)CC(F)F)cc1 741755631 AGHYEAJHQSGRNB-UHFFFAOYSA-N 431.508 5.035 30 20 IKED O=C(/C=C/c1csc(-c2ccccc2)n1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741852695 RKVRZGBSRHUFPW-DHZHZOJOSA-N 437.464 5.042 30 20 IKED C=CCn1c(-c2ccco2)nn(CN(Cc2ccc(F)cc2)CC(F)(F)F)c1=S 742173631 XVRIZFLSXMWMRP-UHFFFAOYSA-N 426.439 5.021 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C[C@H](Cc1ccccc1)c1ccccc1 744028345 GVOCXKBTPJLMES-IZZNHLLZSA-N 438.571 5.875 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)C[C@@H](Cc2ccccc2)c2ccccc2)cc1Cl 744032627 MPMMTJOYLVWDAP-IFMALSPDSA-N 446.934 5.413 30 20 IKED Cc1oc(-c2cccs2)nc1CN(Cc1ccc(C#N)cc1)c1ccc2nc(O)[nH]c2c1 744405739 BAKIIONQHXPBFI-UHFFFAOYSA-N 441.516 5.372 30 20 IKED CCC(CC)(C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(Cl)c(Cl)c1 744957886 VTIXNILWQIAMTQ-UHFFFAOYSA-N 444.318 5.716 30 20 IKED N#CCCn1cc(CN[C@@H]2CCOc3c2ccc(Cl)c3Cl)c(-c2ccccc2)n1 752989121 ZRIAHQLWMMVCQX-LJQANCHMSA-N 427.335 5.384 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H](C)Cc1ccccc1Cl 754300325 RECWAJKCGGTQGW-CVEARBPZSA-N 430.957 5.095 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCCc1ccc(NC(=O)OC(C)(C)C)cc1 756135287 YAZAJHCNCAKCMB-UHFFFAOYSA-N 436.556 5.068 30 20 IKED Cc1c(COc2ccccc2)cccc1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 761883042 XNAVCWICHOFZLK-RUZDIDTESA-N 427.504 5.051 30 20 IKED C=CCOc1cccc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccc(OC)c2)c1 765971372 ZCUQFNHOBIMIMQ-RUZDIDTESA-N 432.520 5.028 30 20 IKED Cc1cc(CSc2ccccc2C(=O)N[C@@H](C#N)c2cccc(Br)c2)on1 768187064 ZSEUMMKPFASCNP-SFHVURJKSA-N 442.338 5.033 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1ccccc1SCC#N 768574728 WEMROUFRABZGDP-UHFFFAOYSA-N 435.936 5.769 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H](CC)c2cc(Br)ccc2O)ccc1OC 775521127 RETHIOSIADNLLQ-FUHWJXTLSA-N 433.346 5.085 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@H](c2ccc(Br)cc2)c2ccco2)c1 779412309 LZONCSLKMWUXSE-DENIHFKCSA-N 425.326 5.602 30 20 IKED Cn1ncc(NC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C(F)(F)F 782826127 LGVWBZWFEBEBRF-NSCUHMNNSA-N 431.258 5.128 30 20 IKED Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1ccc(C(F)(F)F)c(F)c1C 785526779 AZGSUPYWYCGSMB-UHFFFAOYSA-N 436.327 5.006 30 20 IKED CC(C)[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H](O)c1ccccc1 788579303 YBPXEBCSUGXDDR-IZZNHLLZSA-N 443.547 5.211 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)c1 790642786 AGBAPYZHVGAONW-SFHVURJKSA-N 436.943 5.260 30 20 IKED CCC[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H](O)c1ccccc1 791786543 NJRIFVBVPALTAC-IZZNHLLZSA-N 443.547 5.355 30 20 IKED Cc1nc(SC(F)F)sc1CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 796649892 KDTLASKIQXHJGZ-SECBINFHSA-N 429.926 5.448 30 20 IKED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)C2 797568611 UHVYLMUCXJNSQV-YESZJQIVSA-N 431.602 5.185 30 20 IKED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 798013980 SPLMQIUWHCSGJC-CXAGYDPISA-N 443.466 5.155 30 20 IKED CC(=O)c1oc2cc(C)ccc2c1CC(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 805855071 FFSFBQWJAGNRKE-FQEVSTJZSA-N 428.513 5.795 30 20 IKED CC[C@H](C#N)Oc1cccc(CNCc2cc(C(F)(F)F)ccc2Br)c1 810144592 CDHSEAVFRDYPNV-MRXNPFEDSA-N 427.264 5.439 30 20 IKED C[C@@H](Sc1ccc(Br)cc1)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813211581 MQMLFLLPKKQBCA-YGRLFVJLSA-N 429.261 5.220 30 20 IKED CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813213810 QGBIJTHMJSLZSK-IXDOHACOSA-N 439.478 5.140 30 20 IKED COC(=O)c1ccc(COc2ccc(/C=C\C(=O)c3cc4ccccc4o3)cc2OC)o1 916138320 DZJAOUVGKQXAGX-YFHOEESVSA-N 432.428 5.296 30 20 IKED COc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1OCC(C)C 916546589 ZXDXDTIKWZNHCX-UHFFFAOYSA-N 430.961 5.149 30 20 IKED C[C@@H]1CCc2sc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc2C1 916904397 BWSYBWSFHZHIQL-APWZRJJASA-N 430.529 5.626 30 20 IKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2cccc(C(C)C)c2)[n+]2ccc(C)cc2)N=C1C 917616337 XQSCHUNXYUMEFS-UHFFFAOYSA-O 448.612 5.724 30 20 IKED CN(CCC#N)c1ccc(/C=C2/SC(=S)N(c3ccc4ccccc4c3)C2=O)cc1 917644485 XSZWCNHZTMAVCU-PXLXIMEGSA-N 429.570 5.595 30 20 IKED CS(=O)(=O)c1ccc(/C=C/C(=O)c2ccc(-c3ccc(Br)cc3)s2)cc1 918156132 LTKIFDXYOKZBDX-NYYWCZLTSA-N 447.375 5.477 30 20 IKED O=C1CCc2cc(C(=O)/C=C\c3csc(-c4ccc(C(F)(F)F)cc4)n3)ccc2N1 918713280 HXFLKSVQHJMXGD-CLFYSBASSA-N 428.435 5.610 30 20 IKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc5occ(Cl)c5c4)CCC3)cc2)CC1 1787882114 ISAUAOVCXGYXGG-UHFFFAOYSA-N 433.895 5.138 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(cnn4C)c3)cc2)CCC1 1789084782 MWDHSMVVIQIATG-HSZRJFAPSA-N 442.563 5.089 30 20 IKED Cn1c(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4)cc3)CCC2)cc2ccccc21 1790257103 HTOOWGMQKFMPRP-UHFFFAOYSA-N 448.526 5.111 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc4ccoc4cn3)cc2)CCC1 1790833064 WDXUJDDITIHZJO-UHFFFAOYSA-N 431.536 5.568 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H](c4ccccc4)N(CC)CC)cc3)CCC2)C1 1791127304 RWHXICXGYDAALM-RUZDIDTESA-N 445.607 5.170 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)Cc3ccc(Cl)c(F)c3)CC2)C1 1805451597 PVDOYVBJDBZIOQ-UHFFFAOYSA-N 446.994 5.021 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C)c(C)c2)[C@H]1c1cccnc1 1811869461 ZUHLROIKVJRSRY-DNQXCXABSA-N 433.596 5.010 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)[C@H]1c1cccnc1 1812902336 RZLFHDLMMYVBAZ-RHXAMEDASA-N 437.628 5.072 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(C)s2)n[nH]1 1815853740 ZFOILOHSIAZBSG-TZIWHRDSSA-N 440.613 5.173 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 1824144874 KWSIHALNMAFHJS-KKUQBAQOSA-N 434.624 5.178 30 20 IKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1831850311 IMXOUZGEXCCUJJ-AREMUKBSSA-N 445.607 5.027 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccccc2OC)cc1 10118283 HLNGORJTALGCNM-UHFFFAOYSA-O 433.597 5.603 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccccc2CC)cc1 10173822 DBSDQMFMASPUSR-UHFFFAOYSA-O 446.017 5.701 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2cccc(Cl)c2)cc1 10830231 MHPWZPNZKLLMGQ-UHFFFAOYSA-O 440.932 5.149 30 20 IKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(C(C)(C)C)cc2)c1 11269186 XUGXJNOQLYBWRW-UHFFFAOYSA-O 439.551 5.909 30 20 IKED C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc2ccccc2n1C[C@@H](C#N)CCC#N 14300860 AHDAYERBFWPLMJ-LSDHHAIUSA-N 440.334 5.278 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2ccc(N(C)C)cc2)c1 14871998 QXLRKZUNQZUQML-UHFFFAOYSA-O 439.004 5.307 30 20 IKED COc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2cccc(O)c2)cc1 22731109 RAZHOHXCVQOQJI-UHFFFAOYSA-O 448.351 5.046 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 32159887 LGGVYENFPYQWCG-UHFFFAOYSA-N 436.515 5.033 30 20 IKED CC(C)[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc2c(c1)OCCO2 60960626 AUZRMNLMQGQOBT-MHZLTWQESA-N 428.532 5.395 30 20 IKED CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 72025268 KMFBOBJTDIFFQQ-AREMUKBSSA-N 439.515 5.134 30 20 IKED CN(C)[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1cccc(F)c1 255952820 YRIYMVRRSSQTAJ-HSZRJFAPSA-N 433.552 5.022 30 20 IKED C[C@@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@H](c2ccccc2)O1 409782901 ZZGOQBVROHLFCW-FQRUVTKNSA-N 441.531 5.326 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nc(Cc2ccccc2)no1 428880623 IOSQMMPZDWEASB-KRWDZBQOSA-N 439.475 5.207 30 20 IKED COc1cc(-c2nnc(S[C@H]3CC[C@H](C#N)C3)n2C2CCCCC2)cc(OC)c1OC 430136987 VCHFNYZIMIUABU-YJBOKZPZSA-N 442.585 5.260 30 20 IKED N#CCCN(C(=O)c1ccc2c(ccn2Cc2ccccc2)c1)c1ccc2c(c1)OCCO2 431621406 MVDLVUCORCUQQX-UHFFFAOYSA-N 437.499 5.021 30 20 IKED CC(C)Oc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cc1Cl 437426502 JNGSYXOAMMHIRB-UHFFFAOYSA-N 449.894 5.368 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)c1ccc(C(F)(F)F)cc1 442278093 CBZUDIGXAKUKQK-HXUWFJFHSA-N 439.522 5.001 30 20 IKED Cc1c(Cl)cnc(N2CCC[C@H]2c2nc(-c3ccccc3Br)no2)c1C#N 443499520 KMOKFQCTAZFDQE-INIZCTEOSA-N 444.720 5.069 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)CCCc2nc3ccccc3s2)c1C#N 445563749 DEFDEBAROWBOPW-UHFFFAOYSA-N 433.562 5.037 30 20 IKED CSc1nnc(-c2noc(-c3cccc(Oc4ccc(Cl)cc4C#N)c3)n2)s1 445605394 RPJIGSUUBUGMSE-UHFFFAOYSA-N 427.898 5.294 30 20 IKED Cc1c(Br)cccc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 463752737 ZUWPNKZBFJVOFA-UHFFFAOYSA-N 443.288 6.034 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc(C3CC3)nc3ccc(F)cc23)c1C 464079470 XQBWDJHBXSVSNE-UHFFFAOYSA-N 425.467 5.178 30 20 IKED CC(=O)NCCCCCC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 464294235 JYRMBPRIRIUDHV-UHFFFAOYSA-N 433.430 5.004 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cnn(Cc2ccccc2)c1 467711525 UDLGPUFWBXDRJV-UHFFFAOYSA-N 443.320 5.053 30 20 IKED C[C@@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 475027035 FGLAOUDHQUSMSC-GCJKJVERSA-N 429.495 5.343 30 20 IKED Cc1ccc(Cl)c(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 475479063 PXFDYUBLFWRIBI-UHFFFAOYSA-N 435.936 5.503 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482401604 QSOGOVIIIYDNIL-SFHVURJKSA-N 439.384 5.161 30 20 IKED N#C[C@@]1(NC(=O)c2sc3ccccc3c2CSc2ccccc2Cl)CCOC1 484301107 GQBBKAPNZPNEFH-NRFANRHFSA-N 428.966 5.259 30 20 IKED CC(C)Oc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1C#N 486111545 REUOGPSKOGLNJL-UHFFFAOYSA-N 431.448 5.085 30 20 IKED C[C@@H](c1nccn1-c1ccccc1)S(=O)(=O)Cc1ccc(-c2ccccc2C#N)cc1 489027713 PSEJOJRGLNEGDZ-IBGZPJMESA-N 427.529 5.087 30 20 IKED C=C(C)Cn1c(S[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nnc1-c1ccncc1 489422921 GDRYMGFJFASUHF-IAGOWNOFSA-N 447.564 5.020 30 20 IKED O=C(Nc1cc(F)cc(F)c1)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 497576876 UURDDWQUHGQSAX-UHFFFAOYSA-N 429.263 5.099 30 20 IKED N#C[C@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccc(Br)cc1 499387225 GVQDHSKMUYAZPR-KRWDZBQOSA-N 444.716 5.071 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 501126769 CLWGXGDUFFQGMH-UHFFFAOYSA-N 438.871 5.690 30 20 IKED CCOc1ccc(NC(=O)c2ccc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)cc2)cc1 504535504 BCJJFPNITAUXFG-UHFFFAOYSA-N 445.494 5.265 30 20 IKED CC[C@H](C)n1c(SCC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)nnc1-c1ccccc1 505837993 KRRUWLVEMIXYAN-KXBFYZLASA-N 439.972 5.043 30 20 IKED CS(=O)(=O)c1cccc([C@H](NC2CCC(C#N)(c3ccccc3)CC2)c2ccccc2)c1 507609448 ZIGMRJLYAOBFTM-HHZPJPPKSA-N 444.600 5.173 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCc1nnc(-c2cc(C)c(CC)s2)o1 508869448 ICGUHYZJGFHMSK-UHFFFAOYSA-N 437.594 5.330 30 20 IKED N#Cc1c(NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)sc2c1-c1ccccc1CC2 508974153 BEOXLRWZCDIMHR-UHFFFAOYSA-N 447.604 5.189 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1 511320891 OKBVZTMNEUYJGF-MHZLTWQESA-N 448.526 5.638 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1OCC 513186559 KQYPLDNKIVDECQ-CQSZACIVSA-N 426.822 5.431 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 513376230 GXBKBZCWHQWJNN-UHFFFAOYSA-N 430.935 5.357 30 20 IKED CN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1ccc(Cl)c(C(F)(F)F)c1 514632482 ZVPDFBCQOJPKNJ-UHFFFAOYSA-N 439.840 5.249 30 20 IKED C[C@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)C(=O)N1CCC[C@H]1c1cccs1 514962403 NARPBJSHDNOWQG-KXBFYZLASA-N 449.601 5.608 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1cccc(Cl)c1 517527051 IOPBZYHWUZJNFW-BEFAXECRSA-N 427.957 5.036 30 20 IKED Cc1ccc(/C=C/c2cc(C(=O)N(C)C[C@@H](C)C#N)c3cc(Br)ccc3n2)o1 517939545 ZIZXCMRCLCZZRM-OWNNVSBGSA-N 438.325 5.301 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(Cl)cc2cccnc12 518665479 DVKRPDUWDOLTSQ-HNNXBMFYSA-N 442.009 6.154 30 20 IKED N#CCCN(C(=O)CCC(=O)N(CC1CC1)c1cccc(C(F)(F)F)c1)c1ccccc1 519730279 CWXLGJOKMLAQQH-UHFFFAOYSA-N 443.469 5.175 30 20 IKED CCc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1Cc1ccccc1 520428938 BUTQNNNHTUONBM-MRXNPFEDSA-N 448.498 5.386 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccccc3COCc3ccccc3)cc2)cc1 521087170 RBGBWWONHCYOKS-UHFFFAOYSA-N 448.522 6.514 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2c(Cl)cccc2Cl)cc1 521209255 YJAVIQYAAMWUID-UHFFFAOYSA-N 440.330 5.960 30 20 IKED CC(C)CC(=O)Nc1cccc(CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1 522313410 DBZAAWIUZPJXLP-UHFFFAOYSA-N 441.531 5.052 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCc1csc(C(C)C)n1 524442653 WFAWMYRLLMYARR-UHFFFAOYSA-N 434.565 5.390 30 20 IKED C=CCN(C(=O)CCNC(=O)CC(C)C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 525018187 JSJVDDYXMGXMLB-UHFFFAOYSA-N 440.396 5.188 30 20 IKED C=CCn1c(SCc2ncc(CC)o2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 525190295 AFQLYOYMUMRMMT-UHFFFAOYSA-N 441.553 5.601 30 20 IKED COCCCOc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 525658076 JQTHKEMIFCAXMQ-UHFFFAOYSA-N 432.476 5.027 30 20 IKED C=CCOc1c(Br)cc(CNCc2ncoc2-c2ccccc2)cc1OCC 531915815 RNZLVXNRFJGOSS-UHFFFAOYSA-N 443.341 5.357 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3csc([C@@H]4CCCO4)n3)cc2Cl)cc1 535125355 RCXSLDGNCKLCCR-IBGZPJMESA-N 425.897 5.564 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1ccc(Br)cc1 540344927 HCYHCHPFORGGRZ-LSDHHAIUSA-N 432.387 5.133 30 20 IKED N#CC1(CCCSc2nc(O)c3c(-c4ccc(F)cc4)csc3n2)CCOCC1 540810852 MCRNNJFSDMRWMP-UHFFFAOYSA-N 429.542 5.396 30 20 IKED Cn1cc(-c2ccc(F)c(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c2)cn1 542933257 IBWIKBPREKRHRX-UHFFFAOYSA-N 440.478 5.124 30 20 IKED C[C@@H](C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1cccnc1 544011466 BEFZQLPUXGUZHS-YMTOWFKASA-N 444.297 5.643 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(-c2nc(CSCC)no2)c1 545722887 PHZFJCIABVLLHY-UHFFFAOYSA-N 449.985 5.024 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 549120856 QOBQAVGKUZRRTL-HUUCEWRRSA-N 426.376 5.583 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 549250748 IFMRHHNVUATDCD-HTAPYJJXSA-N 431.565 5.097 30 20 IKED O=C(NCC#Cc1cccc(F)c1)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 549589388 KIGDAHVHRAIZCV-UHFFFAOYSA-N 442.321 5.291 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1 553119459 MVGYAUXEDJVRMK-UHFFFAOYSA-N 445.567 5.635 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 553664996 GEKYSCQNOSMBDL-OAHLLOKOSA-N 433.499 6.296 30 20 IKED Cc1csc(-c2ccc(NC(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)cc2)n1 554423806 VKAIJLYDRPCNSK-UHFFFAOYSA-N 436.512 5.205 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H]2CC[C@@H](c3ccccc3)O2)cc1 554975481 FSKNPQQVWCVTHC-RSXGOPAZSA-N 441.531 5.373 30 20 IKED C=CCC[C@@H](N[C@@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1ccc(C(F)(F)F)cc1 567223419 APQKMZMXKKHQDA-NHCUHLMSSA-N 438.515 5.027 30 20 IKED C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N(C)CCOCc1ccc(C#N)cc1 567273651 UJSSKDKFYSTUBW-AWEZNQCLSA-N 431.323 5.125 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H](CO)c2ccccc2Cl)cc1 574667667 NOAJPOHRERFBJC-LJQANCHMSA-N 436.964 5.010 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 578102324 DHIHMQSJXVTABV-UHFFFAOYSA-N 445.420 5.344 30 20 IKED N#Cc1ccc(CN2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c(C(F)(F)F)c1 579417498 IXPWOXRFOQNGNN-FQEVSTJZSA-N 433.861 5.178 30 20 IKED CC(C)c1cc(Br)ccc1NC(=O)N(C)CCOCc1ccc(C#N)cc1 583049034 LZLJAHAVZPXXCQ-UHFFFAOYSA-N 430.346 5.125 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N 583073062 VQKNMMWPEBDKPJ-GFCCVEGCSA-N 437.487 5.094 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cccc(C(F)(F)F)c2)cc1 603460839 BVPHEVFWPPZCGR-UHFFFAOYSA-N 426.463 5.799 30 20 IKED CCOc1ccc(-c2nc(CC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)cs2)cc1 603507281 KLQATERDKSRFET-AWEZNQCLSA-N 437.590 5.448 30 20 IKED CC(C)c1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)nn1C(C)(C)C 604003813 XVZHXLAGOIUJLC-UHFFFAOYSA-N 430.552 5.659 30 20 IKED COc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1OC 604075830 MANIIQZAMPUPPZ-UHFFFAOYSA-N 437.883 5.343 30 20 IKED CCN(C)Cc1cccc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 604510149 HRGUUIQUYSCFJR-UHFFFAOYSA-N 442.563 5.105 30 20 IKED Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 609078450 RGHUWGMWVUFJCI-SANMLTNESA-N 425.532 6.123 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1nc(C)c2ccccc2n1 609080344 VQWWRJYQBJMZHM-UHFFFAOYSA-N 437.503 5.019 30 20 IKED Cc1ccc2c(c1)[C@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)CC2 609309344 AMWHHQXFCBATEU-HSZRJFAPSA-N 441.556 5.015 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)cc1C 609309721 JZEVLWUMTKMFGC-QGZVFWFLSA-N 435.597 5.326 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21 609435520 UEAIFMSGVRQBMZ-GCJKJVERSA-N 443.572 6.393 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)Cc1ccccc1-c1ccccc1 609439595 UECIRPPFBWJKDL-LJQANCHMSA-N 443.572 5.345 30 20 IKED CCOC(=O)Cc1cccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 610018951 ISRSSEWOYSFPAQ-UHFFFAOYSA-N 447.466 5.026 30 20 IKED N#Cc1ccc(C(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)cn1 611974580 YPCPBAUHQOJLOR-ZDUSSCGKSA-N 441.253 5.024 30 20 IKED CC(C)(C#N)c1ccccc1CN[C@H](CC(F)(F)F)c1ccc(Br)cc1 612538956 GLTBSKUYSRCMAX-GOSISDBHSA-N 425.292 6.034 30 20 IKED Cc1nc(-c2cccs2)sc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613403650 FJFIXJDQELYIMG-NSHDSACASA-N 449.504 6.299 30 20 IKED CN(C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)[C@H]1CCCC[C@H]1C(F)(F)F 643634158 IYBBWCVJBKFGNQ-DJIHRAIXSA-N 442.366 5.658 30 20 IKED O=C(Nc1ccc(OCC(F)F)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 673971661 BPKFCTVXHILHAN-IAZYJMLFSA-N 434.327 5.362 30 20 IKED CC(F)(F)CCC(=O)NCc1cc(NC(=O)CCC(C)(F)F)cc(C(F)(F)F)c1 676916940 FXXWUULZYBLGRI-UHFFFAOYSA-N 430.364 5.131 30 20 IKED O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)N[C@H](CO)c1ccc(C(F)(F)F)cc1 677616564 KSLQTTKCJCSIBR-CQSZACIVSA-N 442.306 5.215 30 20 IKED N#C[C@H](C(=O)c1cnc2ncc(Br)cc2c1)c1nc2cc(Cl)ccc2s1 682012759 PUCLPWSLZMOQFA-CYBMUJFWSA-N 443.713 5.145 30 20 IKED C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H]1c1ccc(O)cc1 685557113 KEXRWXMUMFDMEQ-IBGZPJMESA-N 443.320 5.080 30 20 IKED C#Cc1cccc(N(Cc2ccccc2)C(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c1 728249249 MTYRSDBMWJQWRD-WUKNDPDISA-N 448.566 5.153 30 20 IKED Cc1cc(C)c(NC(=O)COC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)c(Cl)c1 728372171 KIEVHWUSHNQPFH-UHFFFAOYSA-N 435.911 5.032 30 20 IKED CC(=O)N(c1ccccc1)c1nc(C=NNc2ccc(Br)cc2C)cs1 728432770 APMLMOVDLAPEBC-UHFFFAOYSA-N 429.343 5.345 30 20 IKED Cc1csc(SCc2c(C(=O)NCc3ccc(C#N)cc3F)oc3ccccc23)n1 729832722 IJLZRMQVHFRSAM-UHFFFAOYSA-N 437.521 5.431 30 20 IKED Cc1sc2nc3n(c(=O)c2c1-c1ccccc1)CC/C3=C/c1cccc(OCC#N)c1 730151948 VDJNEEJUYUMHBX-RGEXLXHISA-N 425.513 5.280 30 20 IKED Cc1nc(CCC(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)oc1-c1ccccc1 730395865 JOACYDQVNDQORV-SFHVURJKSA-N 442.302 5.237 30 20 IKED O=S(=O)(Nc1ccccc1)c1ccc(NN=C(CC2CCCCC2)c2ncccn2)cc1 733902002 YQVJRBBTKLCWKQ-UHFFFAOYSA-N 449.580 5.064 30 20 IKED C=CC[C@H](NC(=O)N1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3)c1ccncc1 734679804 PEYYULUIEBIZFE-GCJKJVERSA-N 433.552 5.068 30 20 IKED CC(C)c1nc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nn1-c1cccc(F)c1 735429367 SZYAFIQVRKSEGK-QHCPKHFHSA-N 439.494 5.438 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(Cc3ccccc3F)n2)cc1 735592544 ASEIOJCXMXTDKV-DNVCBOLYSA-N 435.524 5.348 30 20 IKED N#Cc1ccccc1CSCCNC(=S)Nc1ccc(OC(F)F)c(Cl)c1 735621526 ODVWLKHIOHQJEA-UHFFFAOYSA-N 427.929 5.033 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)c3[nH]c4ccccc4c3Br)c2)s1 739749145 GNVLIKRCTJFMLB-UHFFFAOYSA-N 436.334 5.461 30 20 IKED COc1cc(COC(=O)Cc2c[nH]c3c(C)cccc23)ccc1OCc1cccc(C#N)c1 741349157 BBKIMOOBNQQOSZ-UHFFFAOYSA-N 440.499 5.222 30 20 IKED CCc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccccc1SCc1ccc(C#N)cc1 741822106 ZALUBOJMKUERAJ-SFHVURJKSA-N 444.556 5.597 30 20 IKED Cc1nsc(N(C)C(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)c1C#N 748234664 GUWHITLJQWUOKV-UHFFFAOYSA-N 441.969 5.021 30 20 IKED C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 749679935 LIYFBWIUWOLSAG-CPJSRVTESA-N 439.559 5.153 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccc(F)cc1F 752477192 LQAZCLFJUKDCMQ-OXQOHEQNSA-N 434.442 5.598 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)[C@@H](O)c1c(Cl)cccc1Cl 752677333 JWADVWBLFBPGSL-VLXJIEOASA-N 438.380 5.489 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cc1 758409727 LZRHQSQBFQUODN-SANMLTNESA-N 431.495 5.847 30 20 IKED COC(=O)C1C/C(=C\c2ccc3ncccc3c2)C(=O)/C(=C/c2ccc3ncccc3c2)C1 761486079 MGOXDOZUHIEVAN-HOFJZWJUSA-N 434.495 5.402 30 20 IKED COC(=O)Nc1cc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc(C(F)(F)F)c1 764224805 YLZOCNHNCMJSRB-UHFFFAOYSA-N 446.410 5.131 30 20 IKED N#Cc1cc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c(Cl)c([N+](=O)[O-])c1 764311806 ROGCPNZOKFEAGR-UHFFFAOYSA-N 435.827 5.016 30 20 IKED C[C@@H](Cc1ccc(Br)cc1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 765915631 LYVGIBPUNYZFAT-WFASDCNBSA-N 432.268 5.249 30 20 IKED C#CCCCSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1ccc(OC(F)F)cc1 766273895 ATMRZIXECQRRFK-HMMYKYKNSA-N 442.487 5.187 30 20 IKED C#CCCN(CC(F)(F)F)C(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 767164399 GNZPRCNQPZKLRB-CYBMUJFWSA-N 430.879 5.031 30 20 IKED N#Cc1ccc(NC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)Cl)cc1 769611616 SKHBUVBENZLCFL-UHFFFAOYSA-N 440.759 5.303 30 20 IKED Cc1nc(NCC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c2cc(-c3ccccc3)sc2n1 770953433 APXLQUOPEVQVJV-IBGZPJMESA-N 447.951 5.113 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NN[C@H]2CCCCC2(C)C)cs1 773126057 RHRSONPKCZDTLM-SFHVURJKSA-N 438.519 5.739 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CC=C(c4ccc(Cl)nc4)CC3)c2)cc1 773834240 STWKSKUWAZZVHB-UHFFFAOYSA-N 429.907 5.115 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3cccc4ccccc34)n2)cc1 774065811 TYUPFNGFWSHBKH-IIBYNOLFSA-N 428.513 5.616 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc(C(F)F)c1 780386842 JMEKPSNZRXDOIR-UHFFFAOYSA-N 436.427 5.450 30 20 IKED CCCN(C(=O)Nc1ccccc1O[C@@H](C)C#N)[C@@H](C)c1ccccc1Br 780678388 MZFPLUOZPQLIAT-HOTGVXAUSA-N 430.346 5.745 30 20 IKED C[C@H](OC(=O)c1ccccc1Oc1ccccc1C#N)c1nnc(-c2ccc(F)cc2)o1 784582559 KJTUQEQMPIUSFZ-HNNXBMFYSA-N 429.407 5.458 30 20 IKED Cc1ccc2cc(C(=O)[C@H](C#N)C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)ccc2n1 787048954 JFBURMLTNJVMGK-UGSOOPFHSA-N 426.303 5.050 30 20 IKED Cc1nc(-c2ccccc2)oc1C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 787049263 KXMJDPIXHQVPJG-YVEFUNNKSA-N 442.302 5.157 30 20 IKED O=C(C[C@H]1SC(=Nc2ccsc2)N(CCc2ccsc2)C1=O)Nc1ccccc1 790735680 JJQXAZQCMOBIOF-GOSISDBHSA-N 441.603 5.013 30 20 IKED C=CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccsc1 790747395 DDBXYXZYNCKXMK-LJQANCHMSA-N 443.594 5.073 30 20 IKED C[C@@]12CCN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)C[C@H]1C2(Cl)Cl 791185419 POJBLJBWGBULPY-UYAOXDASSA-N 435.738 5.660 30 20 IKED Cc1ccc(Sc2ccc(C(=O)OCCCC3(C#N)CCOCC3)cc2[N+](=O)[O-])cc1 800113961 VYLSTQGNEYZGGM-UHFFFAOYSA-N 440.521 5.312 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)cc1 806229259 VVKIYGBKQRGMHR-FQEVSTJZSA-N 441.409 5.224 30 20 IKED COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1O 811698189 JEMUMRYJXUVTCT-RMKNXTFCSA-N 428.897 5.091 30 20 IKED C#Cc1ccccc1CC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 812911744 DHTVVVQYKNQUCQ-UHFFFAOYSA-N 440.396 5.259 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 861172573 NZPPXBNYFHDIFV-UHFFFAOYSA-N 437.503 5.099 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)N(O)Cc2cc(Cl)cc(Cl)c2)cc1 901379655 ATVBCMCLMKHHQN-UHFFFAOYSA-N 425.312 5.050 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)cc1 915088036 ZKIOKYUEZPLOQJ-HXUWFJFHSA-N 435.508 6.464 30 20 IKED Cn1c([C@@H](C#N)C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)nc2ccccc21 915100880 IJYJOYKZRMOYBH-HNNXBMFYSA-N 439.302 5.344 30 20 IKED CC(C)[C@@H](NC(=O)c1cccs1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915101885 NVMALCFOBGIOTA-MAUKXSAKSA-N 443.981 5.156 30 20 IKED CC[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(Cl)c1 915766586 QVRNAVRBNKCOIQ-GOTSBHOMSA-N 431.923 5.201 30 20 IKED CCCOc1cc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1OC 916284000 GHRRJEXPYSDKLT-UHFFFAOYSA-N 433.533 5.113 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1OC 916915248 AXEQSJQJTWDBLW-SFHVURJKSA-N 436.895 5.252 30 20 IKED N#C[C@@H](C(=O)CSCc1coc(-c2ccccc2)n1)c1nc2cc(Cl)ccc2s1 917046879 NCJAQSRJOHGXCD-INIZCTEOSA-N 439.949 5.714 30 20 IKED O=C(/C=C\c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(N2CCOCC2)cc1 918713685 QFJCBZXPCBYINS-YFHOEESVSA-N 444.478 5.562 30 20 IKED COc1ccc2cc([C@H](C)C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)ccc2c1 924810570 PZMQOFBPVUUUDA-PMACEKPBSA-N 444.531 5.139 30 20 IKED Cc1cc(Nc2ccc3c(c2)CCCC3)c(C(=O)N[C@@H](C)c2ccc(C#N)cc2)c(O)n1 1441127393 AZJIJVKDIRRCFP-KRWDZBQOSA-N 426.520 5.081 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccc4nccnc4c3)cc2)CCC1 1789062709 WRJQFAKETRIABK-UHFFFAOYSA-N 440.547 5.146 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3)CCC2)CC1 1790267111 ZXWNEIQNPNKYRN-UHFFFAOYSA-N 428.319 5.045 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)c(F)cc4F)cc3)CCC2)CCC1 1790610879 RSGNYJFRBOJLJV-UHFFFAOYSA-N 443.881 5.060 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4occc4c3O)cc2)CCC1 1790931849 KIDHEEPMKRFBEJ-HXUWFJFHSA-N 444.531 5.655 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(F)cc(C(F)(F)F)c1)C2 1792573496 VSSWGVIEAJPROP-REPLKXPHSA-N 440.481 5.089 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCOc1ccc(Cl)cc1)C2 1798590822 OVZJHVAZUMAZCM-WKCHPHFGSA-N 447.019 5.130 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(F)c(Cl)c1 1800705634 KZOZFJXRZCFHGS-YVSFHVDLSA-N 439.358 5.153 30 20 IKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1 1812671736 KUKYPEGDHKHIEV-IRLDBZIGSA-N 449.586 5.295 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3cc(Cl)ccc23)n[nH]1 1818593580 ZGZIQTVCAAAKHE-JLTOFOAXSA-N 439.947 5.063 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(C)c(C)c2)[nH]n1 1819302986 PPIBCKQCQWBDNZ-GMAHTHKFSA-N 434.584 5.030 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3cnccc23)CC1 1828653243 PVCOSSGRJJNMKW-OZXSUGGESA-N 445.607 5.237 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](c2ccccc2)C(C)C)CC1 1832024938 LHGYVUCZESBNGI-BDYUSTAISA-N 436.640 5.240 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2ccc(N(C)C)cc2)c1 11263923 FSQOFAJDMKJTNS-UHFFFAOYSA-O 446.640 5.831 30 20 IKED COc1ccc(-c2cc(C(=O)Oc3ccc(C#N)cc3OC)c3ccccc3n2)cc1OC 15988566 QYZIZPQGIZAELM-UHFFFAOYSA-N 440.455 5.018 30 20 IKED N#CCCN(C(=O)CSc1nnc(Nc2cccc(F)c2)s1)c1cccc(Cl)c1 22171933 JNLCIHKTNXNORN-UHFFFAOYSA-N 447.948 5.113 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccc(C(C)(C)C)cc2)s1 22694001 UBVRIOXUUPHOPE-UHFFFAOYSA-O 437.654 6.309 30 20 IKED C=CCn1c(SCc2c(-c3ccccc3)nc3ccccn23)nc2sccc2c1=O 58920386 XARKWIFRIAPJRE-UHFFFAOYSA-N 430.558 5.251 30 20 IKED N#Cc1c(NC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)sc2c1CCCCCC2 64933384 WHWDQWXMICRASE-UHFFFAOYSA-N 442.606 5.247 30 20 IKED C=CCn1c(S[C@H](C)c2nc3ccccc3n2C(F)F)nnc1-c1ccccc1F 217801103 GHRVWSHKKYVALI-CYBMUJFWSA-N 429.471 5.868 30 20 IKED C=CCn1c(S[C@H](C)c2nc(Cc3ccccc3)no2)nnc1-c1ccc(Cl)cc1 303803052 BDDZMFITWFGQSF-OAHLLOKOSA-N 437.956 5.612 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1cnc2ccccc2c1C(F)(F)F 410401190 ODVKYXKTDMCBDD-UHFFFAOYSA-N 432.295 5.586 30 20 IKED C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)N[C@H](CCCC#N)c2ccccc2)C1 432707102 WWFDSMGRVOJSBC-ZRCGQRJVSA-N 432.568 5.361 30 20 IKED COc1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1OCc1ccncc1 434906450 WOPNHMOPCJYUIT-UHFFFAOYSA-N 440.503 5.180 30 20 IKED C=CCN(C(=O)c1ccc(NC(=O)N(C)C)cc1Cl)c1nc(-c2ccccc2)cs1 435181398 FLRRNPUTWDFYST-UHFFFAOYSA-N 440.956 5.390 30 20 IKED C=CCC[C@H](NC(=O)N1C[C@@H](CC(=O)N(C)C)c2cc(Cl)ccc21)c1ccccc1 435757503 ANNZRAVEEJWKKF-NQIIRXRSSA-N 425.960 5.139 30 20 IKED O=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)N[C@@H](c1cccc(F)c1F)C(F)(F)F 436367764 LHHJODDGPDKZIX-FFSVYQOJSA-N 436.327 5.025 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)cc1 437400359 KMCGVUBFAZNWGT-MRXNPFEDSA-N 431.395 5.536 30 20 IKED C[C@@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1cccc(OCc2ccccn2)c1 438642632 QXOXVKPVLAKHDL-OAHLLOKOSA-N 440.425 5.434 30 20 IKED C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 439393941 RHLFEXDIANZTMB-IBGZPJMESA-N 441.535 5.093 30 20 IKED CCCc1c(NC(=O)N[C@H](C)c2ccccc2OC(F)F)cnn1-c1cccc(C#N)c1 439661360 GKTBKQMPDLNCHS-OAHLLOKOSA-N 439.466 5.181 30 20 IKED CC(C)(C#N)CC(=O)N(C[C@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 447316629 ZLZOFVXBAQZHFV-MRXNPFEDSA-N 437.487 5.281 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCn2c(cc3ccc(Cl)cc32)C1 447392900 IQLAQBGXBQHDJX-MRXNPFEDSA-N 438.984 5.143 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC=C(c2ccc(O)cc2)CC1 460578678 TXHKHTCDUWWAPM-GOSISDBHSA-N 434.515 5.133 30 20 IKED CS(=O)(=O)c1cccc([C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)c2ccc(F)cc2)c1 463658790 BTCJMEVBHWSOSC-NRFANRHFSA-N 448.441 5.321 30 20 IKED CN(C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F)[C@H]1CCCC[C@H]1C(F)(F)F 463674122 JAZVUSRYTWJXFF-MBNYWOFBSA-N 448.354 5.654 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 464323418 XISXLCPZVGWKBC-UHFFFAOYSA-N 430.920 5.573 30 20 IKED CC[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1nc(C(F)(F)F)cs1 465189546 XGEJPMRZNFMKCA-HNNXBMFYSA-N 447.507 6.066 30 20 IKED C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 467903342 DJKZTYYEGAOFPE-HNNXBMFYSA-N 446.457 5.240 30 20 IKED Cc1ccc(-c2cccc(CNC(=O)C(=O)Nc3ccccc3SC[C@@H](C)C#N)c2)cc1 468606904 AWAQJDMQLXKUDP-IBGZPJMESA-N 443.572 5.169 30 20 IKED CC[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(F)cc(Br)c1 469211072 LUFLVGYLSLZILE-HXUWFJFHSA-N 444.348 5.734 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@H]3CCCC[C@H]3Cc3ccccc3)ccc21 470554761 CSHXBJFNMWBIOJ-URXFXBBRSA-N 444.579 5.193 30 20 IKED N#Cc1ccc(-c2nnc(CNc3cc(C(F)(F)F)ccc3SCC(F)F)o2)cc1 471683106 PXMBKWMSSGPSJY-UHFFFAOYSA-N 440.397 5.596 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccn(Cc2ccccc2)n1 475414225 ZCEVVRWELDAEBE-UHFFFAOYSA-N 430.455 5.208 30 20 IKED C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CNc1cccc(OCc2cccc(C#N)c2)c1 476365705 PHTRBFGYEDHRMC-QGZVFWFLSA-N 435.474 5.047 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 476787813 BEESBPYPYFUNDI-SFHVURJKSA-N 431.363 5.837 30 20 IKED C=C(C)[C@H](NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(F)c(F)c1 477653785 ZKLSQIDEQNXVNV-QHCPKHFHSA-N 447.441 5.001 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H](Nc3ccccc3)C2)cc1 478597926 NCNVYHZMUIMMFQ-DEOSSOPVSA-N 440.547 5.440 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccccc1C 479747072 NPIFWBSMPZIITJ-AWEZNQCLSA-N 447.391 5.866 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)nnc1-c1cccs1 481389582 IVUVGPKVGOONHN-UONOGXRCSA-N 433.002 5.204 30 20 IKED C=C(C)[C@H](NCc1nc(-c2ccc(OC(F)F)c(OC)c2)no1)c1ccc(F)c(F)c1 481618083 AZGGMDCDDYHHEZ-IBGZPJMESA-N 437.393 5.032 30 20 IKED C=CCSc1ccccc1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 486117654 QTLBCZZZDRVBJW-UHFFFAOYSA-N 438.574 5.326 30 20 IKED C=CCC[C@@H](NC(=O)C1CCC(OC[C@H]2CCCO2)CC1)c1ccc(C(F)(F)F)cc1 486781208 STZKFNYXIDEHCW-QZRMGYTESA-N 439.518 5.583 30 20 IKED N#Cc1ccc(NC(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1Br 487960368 TWTILUUMWKJORD-CQSZACIVSA-N 445.386 5.068 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC(Cc3ccccc3CO)CC2)cc1 490367278 JYXXDJURTBZSFC-UHFFFAOYSA-N 444.506 5.077 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 501144558 REGKGSLEZVYFMS-AZZUFQGZSA-N 432.539 5.260 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)cc1 502475476 VOZZNOHWFWRZSH-QHCPKHFHSA-N 446.478 5.086 30 20 IKED COCCOc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(C)c1 502623735 SPHQPVCFYGMTFT-UHFFFAOYSA-N 431.492 5.637 30 20 IKED CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1 504012970 KNOKLIWOHUEVPZ-UHFFFAOYSA-N 436.943 5.061 30 20 IKED C[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)c1ccc(C#N)cc1 505305095 RBUNOWBYZWFDER-CYBMUJFWSA-N 442.397 5.305 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1 508257693 IOQDIGFPYZIYEF-HXUWFJFHSA-N 449.507 5.857 30 20 IKED Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 510256806 LVYSVASINXSBMU-UHFFFAOYSA-N 445.544 5.278 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccccc1Cn1ccnc1 510540951 XJPACWWVTFYMPT-UHFFFAOYSA-N 437.503 5.226 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn(C2CCCCC2)c1C 510990339 IJXOOAVFWBPDNC-UHFFFAOYSA-N 428.536 5.708 30 20 IKED C[C@H](NC(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1)c1ccc(C#N)cc1 511021252 ZQMXRNYIUSSDLT-INIZCTEOSA-N 438.959 5.499 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2Cc2cccc(F)c2)cc1 511336845 AIHZLEKBMPNCCL-DEOSSOPVSA-N 443.522 5.710 30 20 IKED CCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cnn1-c1ccc(F)cc1 512497796 AXDCPBMVUVTBQA-LJQANCHMSA-N 446.507 5.196 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 515284052 QIRKVSWIYPJXBH-VQTJNVASSA-N 437.421 5.815 30 20 IKED Cc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1Br 516319543 BMSJLUQHBYQMKF-UHFFFAOYSA-N 443.288 6.034 30 20 IKED CCO[C@@H](c1noc([C@H](C#N)Cc2ccc(C#N)cc2)n1)c1ccc(F)cc1C(F)(F)F 516440810 LAZCKAVUOIAYBF-HNAYVOBHSA-N 444.388 5.075 30 20 IKED C[C@H](SCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1nc(-c2cccs2)no1 517450788 OKIKGJGPJHWNKV-KGLIPLIRSA-N 444.607 5.483 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2Cl)c1 518282479 DPIXKOKPOUVPMT-UHFFFAOYSA-N 425.803 5.090 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 518675562 GRPVVIWWQUSYOG-OXJNMPFZSA-N 441.572 5.310 30 20 IKED Cc1cccc(C(=O)N2CCCC2)c1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 520713413 ONGKPMBWDOFSNS-UHFFFAOYSA-N 443.478 5.286 30 20 IKED C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1 521734393 OMHKIQCQVGTLKM-FGZHOGPDSA-N 443.616 5.968 30 20 IKED N#Cc1cc(NC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)ccc1OCC(F)(F)F 521743253 KQRBFFGFGINKFO-FQEVSTJZSA-N 442.441 5.740 30 20 IKED CC[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(F)cc1F 523473460 ZTQNBAKPFBLING-DEOSSOPVSA-N 437.465 5.839 30 20 IKED COc1ccccc1Oc1ccc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 523594336 JRECKMPDFJASFX-SFHVURJKSA-N 447.560 6.061 30 20 IKED CCc1cccc2c(C3CCN(C(=O)Nc4cc(C#N)ccc4OC(F)F)CC3)c[nH]c12 524434913 RWYPPXJVFNLKDG-UHFFFAOYSA-N 438.478 5.615 30 20 IKED COc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1F 524441111 SKULDFMBPZQRNR-UHFFFAOYSA-N 439.874 5.260 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NCCc3nc(C4CCCCC4)cs3)cc2)nc1 530882363 RBQLKJNIQIZXND-UHFFFAOYSA-N 432.549 5.222 30 20 IKED CC(C)c1oc([C@H]2CCCN2S(=O)(=O)c2ccc(C#N)cc2F)nc1-c1ccccc1 531092598 VMMVTRGJHJQXOT-LJQANCHMSA-N 439.512 5.002 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](C4CCOCC4)C3)cc2Cl)cc1 532850344 ZQGOZBYWUYYKEU-GOSISDBHSA-N 425.916 5.284 30 20 IKED CCOc1cc(CN[C@@H](CCC#N)c2ccccc2)cc(Br)c1OC(F)F 533360397 LJNCUNVUNPLORX-KRWDZBQOSA-N 439.300 5.584 30 20 IKED C=CCN(C(=O)c1cc(C)n(C(F)F)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 536421165 QEPFWXQMLGOLMJ-UHFFFAOYSA-N 443.306 5.850 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc(-c4noc(C(F)F)n4)cc3)c2)c1 538281948 VYQMNIIQBTWMLO-UHFFFAOYSA-N 446.413 5.377 30 20 IKED Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 538773769 DQMQZOMRLOEPMW-GOSISDBHSA-N 444.585 5.786 30 20 IKED Cn1cc(/C=C(/CC(=O)O)c2nc3cc(Cl)ccc3s2)c(-c2ccc(C#N)cc2)n1 539754510 ABSCVWIGSUWTKZ-NVNXTCNLSA-N 434.908 5.237 30 20 IKED CO[C@H](C)CCC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 544012525 BIPGLKLVJQLGPX-OQPBUACISA-N 425.291 5.259 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(SC4CCCCC4)cc3C)CC2)o1 549211594 XRXFBVZYKSMTDZ-UHFFFAOYSA-N 438.597 5.443 30 20 IKED COc1ccc(CNc2ccc(-n3nccc3C(F)(F)F)cc2)cc1OCCCC#N 552538382 XWJLFZZXOXLXPK-UHFFFAOYSA-N 430.430 5.194 30 20 IKED CC(C)Oc1ncccc1-c1noc(C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)n1 554832778 JFKUTCQPWAOFMK-UHFFFAOYSA-N 437.931 5.002 30 20 IKED CN1[C@H]2CC[C@H]1CC([C@H](NC1CCN(c3ccc(C#N)cc3)CC1)c1ccc(Cl)cc1)C2 560535372 ISLGIDXIRHAFCV-GMQQYTKMSA-N 449.042 5.384 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCc2noc(-c3cccs3)n2)c1 571919014 ZBGFKTYFICEDKT-UHFFFAOYSA-N 436.880 5.045 30 20 IKED COc1cccc(C2(CNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2)c1 573471668 GVUZQXGGEZIXIC-UHFFFAOYSA-N 441.531 5.194 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)o1 603872483 VZFAGTNATQPAMG-RUZDIDTESA-N 426.447 5.389 30 20 IKED COc1ccccc1-c1nnc(S[C@@H](C#N)Cc2ccccc2)n1CCc1ccccc1 603972508 BKXKPPKNTRJXSQ-JOCHJYFZSA-N 440.572 5.423 30 20 IKED CCOc1ccc(Br)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 609065614 LKBWUWGJGGEEIX-UHFFFAOYSA-N 441.281 5.144 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(OC2CCCC2)CC1 609079447 CRHHDPYWEGTPRW-UHFFFAOYSA-N 433.552 5.401 30 20 IKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609209848 PTIDSWPGDBDATN-BKMJKUGQSA-N 441.531 5.982 30 20 IKED CN(C)C(=O)c1cc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)ccc1Cl 609298033 WPWUCMHYYXLBME-UHFFFAOYSA-N 437.858 5.097 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2ccc(N3CCCCCC3)nc2)cc1 609306234 CMSKOYVLMTVPDO-UHFFFAOYSA-N 444.510 5.195 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(OCc2ccccn2)c1 609436536 OUUOVTRLYBGFHT-GOSISDBHSA-N 432.549 5.377 30 20 IKED C[C@@H]1CCCN(Cc2ccc(CNC(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)C1 609436740 SHOABXPDUFKDCL-WOJBJXKFSA-N 436.625 5.634 30 20 IKED CCCNC(=O)c1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 610153777 UHPBWCKXKRKJQD-UHFFFAOYSA-N 447.922 5.183 30 20 IKED COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)CCCCOc2cccc(C#N)c2)C1 610159547 DHQBSKZHVKXEDB-HXUWFJFHSA-N 440.971 5.251 30 20 IKED C[C@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 610162960 AJQZSHUARZUDTM-FDDCHVKYSA-N 433.939 5.410 30 20 IKED COc1ccccc1OCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)o1 613317971 AVLSHZOWUSKACP-LJQANCHMSA-N 444.512 5.789 30 20 IKED Cc1nc(COc2cccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c2)cs1 613403797 UVQBMSUMNLMPLE-KRWDZBQOSA-N 439.949 5.784 30 20 IKED COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)N[C@@H]2CCc4cc(C#N)ccc42)CCC3)cc1 618812474 QATUUKSCKUTZBZ-IRLDBZIGSA-N 444.560 5.054 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3SCc3ccco3)n2)cc1 619756455 OZSIPWSIODXKCN-FQEVSTJZSA-N 446.553 6.194 30 20 IKED O=C(c1ccc(CCC(F)(F)F)cc1)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 622585132 SCSFSLVEGCAJPF-IBGZPJMESA-N 433.367 5.911 30 20 IKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1cc(F)cc(F)c1 644971014 ZKMOBMTYDPVMSK-UHFFFAOYSA-N 429.263 5.099 30 20 IKED C=CCC[C@@H](NC(=O)CCc1nc(O)c2ccccc2n1)c1ccc(C(F)(F)F)cc1 676730544 HPKVNAQNXACIOW-GOSISDBHSA-N 429.442 5.111 30 20 IKED C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 685695363 KULFNILIOBGSLS-GHMZBOCLSA-N 438.347 5.225 30 20 IKED CCSc1cccc(F)c1NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 685699238 MHAVONJBVSWLFQ-URLYPYJESA-N 432.405 5.969 30 20 IKED COc1ccc(C(=O)/C=C\c2cccc(OCc3ccccc3Cl)c2)cc1NC(C)=O 726428701 ONNTZIWWSSMFAX-BENRWUELSA-N 435.907 5.782 30 20 IKED Cc1cc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c(C)n1[C@@H](C)c1ccccc1 728877733 PJSGTXQZWZPFNL-FQEVSTJZSA-N 427.548 5.270 30 20 IKED Cn1c([C@@H](C#N)C(=O)[C@H](Sc2ccc(F)cc2F)c2ccccc2)nc2ccccc21 730072322 UBKWWRVEKUGLOQ-GAJHUEQPSA-N 433.483 5.561 30 20 IKED Cc1csc([C@@H](C#N)C(=O)[C@H](Oc2ccc(Br)cc2F)c2ccccc2)n1 730686346 OFKITHZGJNGBPL-HNAYVOBHSA-N 445.313 5.350 30 20 IKED N#C[C@@H](C(=O)CCCSc1ccc(Br)cc1)c1ccc2ccccc2n1 731135149 AFOVSLIEUVVRSN-GOSISDBHSA-N 425.351 5.746 30 20 IKED C#CCN(Cc1coc(-c2cccs2)n1)[C@H]1CCOc2ccc(Br)cc21 733195383 MDMFVZQDXUIFME-KRWDZBQOSA-N 429.339 5.125 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1 733773236 VZGBWJWDYFIVEA-FQEVSTJZSA-N 438.449 5.983 30 20 IKED C[C@H](COc1cccc(C#N)c1)OC(=O)c1oc2ccccc2c1CSc1ncccn1 733862187 UCVUHSKLQSHNIR-MRXNPFEDSA-N 445.500 5.011 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1 734078888 CXEACWJHNIEKFS-QGZVFWFLSA-N 426.259 5.142 30 20 IKED N#Cc1cccc(COc2cccc(/C=C3\SC(=S)N(C(C4CC4)C4CC4)C3=O)c2)c1 734880019 GPGNCXFVKPCJAW-XKZIYDEJSA-N 446.597 5.527 30 20 IKED Cc1oc(-c2ccccc2F)nc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 737505859 WYUIBTBLRNQJRO-UHFFFAOYSA-N 427.435 5.492 30 20 IKED N#Cc1ccc(-c2cccc(CNCc3cc(Cl)ccc3OCc3cccnc3)c2)s1 740014658 UHZCYLAPLOTTSJ-UHFFFAOYSA-N 445.975 6.204 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cc1OC 742889695 MBFXKRNNVSGMEC-MRXNPFEDSA-N 426.513 5.098 30 20 IKED CC(=O)Nc1ccc(NC(=S)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1 745724788 WZRNZBRVVLHMRB-UHFFFAOYSA-N 432.524 5.368 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(CC)[C@@H](Cc2ccc(F)cc2)C(C)C)c1 745821975 WDSSATDZCZJWML-UPVQGACJSA-N 425.548 5.305 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4ccc(C)c(OC)c4)CCC3)n2)cc1 750401558 UBYLMDFYFDNYDJ-HXUWFJFHSA-N 432.545 5.434 30 20 IKED C[C@@H](C[C@@H](O)c1cccs1)NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 752256201 HCFOEGWKEJHSJA-KBXCAEBGSA-N 425.485 5.185 30 20 IKED Cc1ccnc(C2CCN(C(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)CC2)n1 754536012 BMNLTKFNMNNJNT-UHFFFAOYSA-N 432.911 5.122 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(Br)cc(C(F)(F)F)c1 756624991 JFKYTXFDHLVPHY-UHFFFAOYSA-N 448.242 5.217 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(F)cc(C(F)(F)F)c1 756634774 FSPGDPSRNQDGNR-GFCCVEGCSA-N 440.418 5.034 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)[C@@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 760791412 BWXFJGJLYXCWHW-NRFANRHFSA-N 444.890 5.993 30 20 IKED CCc1cc(Oc2cnc(-c3noc(Cc4ccccc4CC#N)n3)cn2)ccc1Cl 762366693 PDCUJOCBHJGYBW-UHFFFAOYSA-N 431.883 5.192 30 20 IKED COC(=O)Nc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc(C(F)(F)F)c1 763367067 INZWXWIEPRFZLZ-LBPRGKRZSA-N 437.443 5.388 30 20 IKED CC(C)c1ccc(C[C@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 766606245 VROPQWUOKAEFBA-FNZWTVRRSA-N 439.559 5.151 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CC[C@@H](c3c(F)cccc3F)C2)c1=S 768912871 ZVIBXMOOIFLPLW-MRXNPFEDSA-N 442.535 5.001 30 20 IKED N#CCCn1cc(C(=O)COC(=O)c2ccc(C(F)(F)F)cc2Cl)c2ccccc21 775104694 VWRCUCBWEBLLPY-UHFFFAOYSA-N 434.801 5.267 30 20 IKED N#C[C@H]1C(CN[C@@H](c2ccc(Cl)cc2)C2CCCC2)=CC(=O)n2c1nc1ccccc12 775379218 OTBDWKNBYGGTAE-GBXCKJPGSA-N 430.939 5.398 30 20 IKED C=CC[C@H](OC(=O)[C@@H](C)SCc1nc(O)c2c(C)c(C)sc2n1)c1ccccc1 778740211 VULJEIFHRQEPRT-WBVHZDCISA-N 428.579 5.496 30 20 IKED CC(C)n1ncc2cc(CNc3ccc(OCc4cccc(C#N)c4)c(F)c3)c(Cl)nc21 779596615 YWPBBJUKVZOOFO-UHFFFAOYSA-N 449.917 5.867 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)c2cc(Br)ccc2n1 780303232 UTTTVCWZDKNCJB-SFHVURJKSA-N 446.304 5.301 30 20 IKED C[C@@H](NC(=O)Nc1cc(N2CCCC2=O)ccc1F)c1ccc(-c2cccc(C#N)c2)cc1 782559847 XDYCNKORJRRYHT-QGZVFWFLSA-N 442.494 5.374 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)N(CCC(F)(F)F)CC(F)(F)F)ccc1F 791118366 XLKJPPXOAFQFJN-UHFFFAOYSA-N 432.336 5.130 30 20 IKED N#CC[C@H](CC(=O)OCC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 795988550 YRXVYJHJPZRABE-LJQANCHMSA-N 428.513 5.447 30 20 IKED Cn1ccnc1C(=O)[C@H](C#N)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1 796774007 GJBCXNLXURTWLP-GFCCVEGCSA-N 448.693 5.378 30 20 IKED C#CC[C@H](Cc1ccccc1)NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 803522534 GHCNXUPCVSHOMV-GOSISDBHSA-N 427.331 5.332 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 806402277 ZCTFMFBBZMCGGY-KDOFPFPSSA-N 435.471 5.318 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCN(c4ccccc4Cl)C3)n2)cc1 810549760 OXXBHJREPHLEBF-ZWKOTPCHSA-N 432.936 5.038 30 20 IKED CC(=O)N(c1nc(/C=C2/Oc3c(C)cc(Cl)cc3C2=O)cs1)c1ccc(F)cc1F 811696332 CKSJVAVRPGFIPZ-QGMBQPNBSA-N 446.862 5.684 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1cccc(Br)c1 813065015 UEAKVQVJRXOGMB-SMDDNHRTSA-N 447.304 5.831 30 20 IKED CC(C)n1cc(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)c(C2CCOCC2)n1 856687891 RJGQIJJUTKIVMO-UHFFFAOYSA-N 446.576 5.633 30 20 IKED O=C(Nc1ccc(SC(F)F)cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 915300189 FXNMNYSDYOHECE-IUCAKERBSA-N 436.368 6.032 30 20 IKED CCCCCCCCc1nnc(NC(=O)N2CCC([C@H](O)c3ccccc3)CC2)s1 915311587 NOUKYDIKCHSZCW-OAQYLSRUSA-N 430.618 5.419 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(N3CCCCC3)cc2)cs1 917562317 DXFJAFMPSRQBIU-NTEUORMPSA-N 449.551 5.853 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=S)Nc2ccccc2Oc2ccccc2)cc1 917578281 RQGVUHDDQBIQLO-UHFFFAOYSA-N 441.478 6.112 30 20 IKED Cc1ccc(C(=O)N(C)c2ccc(OC(=O)[C@H](Oc3ccccc3C#N)C(C)C)cc2)cc1 918491506 AZYMJZZXTBXFFV-RUZDIDTESA-N 442.515 5.152 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(-c2nc3ccccc3s2)s1 920102093 OZPVLGBPGSAXMQ-OAHLLOKOSA-N 441.537 6.020 30 20 IKED CCCOc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 920141745 QCTVUBVHMKHOOT-NRFANRHFSA-N 443.528 5.310 30 20 IKED COc1cccc(/C=C/c2cc(C(=O)O[C@H](C)C#N)c3cc(Br)ccc3n2)c1 920703807 SLVNJCLIJFJHMG-IZPAUZPXSA-N 437.293 5.245 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Nc3nccs3)CCC2)cc1 1785841887 BQIVYVHSXADRSH-KRWDZBQOSA-N 440.613 5.070 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)cc2)CCC1 1786179970 FIPFQTYWYQZHPH-RTWAWAEBSA-N 436.502 5.006 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cc4c(Cl)cncc4s3)cc2)CCC1 1788311938 CNOANZNOGBCMOE-UHFFFAOYSA-N 425.941 5.274 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ccc(OC)cc34)cc2)CCC1 1789275028 SBBXNKHRKRDSAM-UHFFFAOYSA-N 443.547 5.118 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3c(F)ccnc3Cl)CCC2)cc1 1789453316 VQKARNLXHMRYTK-GOSISDBHSA-N 441.934 5.390 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ncccc34)CCC2)cc1 1789626188 KQPWQHUIENVHMN-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc4cccnc4s3)CCC2)cc1)C(F)(F)F 1791302691 HCFKWLAEDJOVLC-UHFFFAOYSA-N 445.466 5.163 30 20 IKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@]4(C)CC=CCC4)cc3)CCC2)c1 1791992026 ONHAMWGGEYGFCN-AREMUKBSSA-N 443.547 5.061 30 20 IKED Cc1cncc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)c1 1792122169 DTRIHHGCGWRUQQ-IBGZPJMESA-N 438.531 5.079 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1ccc(F)cc1 1799430904 TYWUXGRZFNQBDC-KOUNCHBCSA-N 449.570 5.132 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](C)Sc3ccccc3)C2)CC1 1805855045 HNTNHRDUQVUACV-GGAORHGYSA-N 440.653 5.167 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)s2)[nH]n1 1819303692 MTJAGQJNAUFSMB-ZBFHGGJFSA-N 432.977 5.199 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2sccc2Cl)n[nH]1 1819954087 BYVQCDRCPITAGN-QGZVFWFLSA-N 432.977 5.199 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)c(F)c2)n[nH]1 1821041158 IXCPQYPCNVAIEO-OXJNMPFZSA-N 444.938 5.277 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(N(C)C)cc2)cc1 10173559 SBARQQZTEGILGB-UHFFFAOYSA-O 446.640 5.777 30 20 IKED O=C(/C(=C(\S)Nc1cccc(C(F)(F)F)c1)[n+]1ccccc1)c1ccc2c(c1)CCC2 11128998 HDOVDAQGFWNJGD-UHFFFAOYSA-O 441.498 5.533 30 20 IKED C=CCn1c(SCc2ccc(C(=O)Nc3ccccc3)cc2)nc2ccccc2c1=O 11305304 BUESBWLXVXAGRG-UHFFFAOYSA-N 427.529 5.127 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1ccc(C(C)(C)C)cc1 16866223 KIKZUJOOYDILNU-IBGZPJMESA-N 448.636 6.165 30 20 IKED C[C@H](OC(=O)c1cc2c3ccccc3n(C)c2s1)C(=O)N(CCC#N)c1ccc(F)cc1 21931798 AWCPWNZTYDCFCP-HNNXBMFYSA-N 449.507 5.024 30 20 IKED CCN/C(S)=C(/C(=O)c1ccc(Cl)c(Cl)c1)[n+]1ccc(Cc2ccccc2)cc1 22686350 SMBHWJAQZFUSBT-UHFFFAOYSA-O 444.407 5.420 30 20 IKED Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 32289879 YZBVCBIXHOIKJN-UHFFFAOYSA-N 425.492 5.024 30 20 IKED N#Cc1c(NC(=O)CCSc2nnc(Nc3ccccc3)s2)sc2c1CCCC2 45699448 RDTXRQPZOGWNNI-UHFFFAOYSA-N 441.607 5.215 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 78720046 MXPSSJOPYJRKIJ-CQSZACIVSA-N 427.476 5.585 30 20 IKED C=CCN1CCC(NCc2ccc(OCc3cccc(C(F)(F)F)c3)c(OC)c2)CC1 237115575 DYEKGJBFDQCILR-UHFFFAOYSA-N 434.502 5.033 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cncc(Br)c3)cc2Cl)c1 303231022 XUVFFGMZBKVBGV-UHFFFAOYSA-N 442.700 5.200 30 20 IKED CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 429103782 MMFSTVMQPLSOSF-UVQLHIIVSA-N 444.000 5.197 30 20 IKED Cc1noc(C[C@H](NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c2ccccc2)n1 429750030 GLOQHTGWLPOKJX-QHCPKHFHSA-N 439.475 5.148 30 20 IKED Cc1cc(-c2cc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)c3c(C)noc3n2)c(C)o1 430579744 CUMPCHQKZCVECU-INIZCTEOSA-N 434.521 5.652 30 20 IKED Cc1c(C#N)cccc1NC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 431845679 PDHASNBFAOYCPT-UHFFFAOYSA-N 432.320 5.001 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 432536060 ORAFSMZQAWQZTL-HSZRJFAPSA-N 437.952 5.288 30 20 IKED N#CCCC[C@H](NC(=O)Nc1cc(Cl)ccc1N1CCSCC1)c1ccccc1 432817206 SOENSPVVUHQZLB-IBGZPJMESA-N 428.989 5.450 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@H]2CCOC3(CCSCC3)C2)c1 434332351 HZJBMWRABAULGL-IBGZPJMESA-N 442.968 5.179 30 20 IKED CN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nc2cc(Cl)ccc2s1 435978149 ZEHYCNMNBLWGDK-UHFFFAOYSA-N 433.920 5.677 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)cc1F 437475245 PMPQTJGFABPSMO-UHFFFAOYSA-N 449.526 5.293 30 20 IKED C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CCN1C 438542826 VZYDLIPBHTYKTG-HNAYVOBHSA-N 446.473 5.316 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3cc(F)c(Br)cc3Cl)CC2)cc1 439639846 ZAOHQPUFNDYBJR-UHFFFAOYSA-N 434.696 5.434 30 20 IKED C[C@H](Nc1ccc(-c2sc(CC(N)=O)cc2Br)cc1)c1cccc(C#N)c1 442781199 HWYLALOBRXEBJC-ZDUSSCGKSA-N 440.366 5.250 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1)c1ccc(C#N)cc1 443941526 HSNMAQVLWUIDGR-HNNXBMFYSA-N 443.894 5.830 30 20 IKED N#Cc1cccc(-c2nnc(N3CCC[C@@H]3c3ccccc3Cl)n2C[C@@H]2CCCCO2)c1 461832763 OKUYBKXSFGFQIL-NZQKXSOJSA-N 447.970 5.381 30 20 IKED C=CCn1c(SCc2csc(COC)n2)nc2scc(-c3ccccc3)c2c1=O 463037535 WENCEFNJNYNOMU-UHFFFAOYSA-N 441.603 5.206 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 466640251 GDYIJIHRQUDEFG-HNNXBMFYSA-N 437.956 5.612 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1C(C)C 467491302 HPBDFEUWYOLZIV-JOCHJYFZSA-N 446.551 5.020 30 20 IKED CC(C)[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(C(F)(F)F)cc1 469191830 JMOLHVZPAWVJEY-HSZRJFAPSA-N 429.486 6.098 30 20 IKED C=CCN(CC=C)C(=O)[C@H](C)S[C@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 476211509 UYCIMMQOCNFPHM-KGLIPLIRSA-N 425.476 5.139 30 20 IKED COc1cccc(Cl)c1-c1noc(C)c1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 476247295 DZDVYOXAUPSLJQ-UHFFFAOYSA-N 448.828 5.112 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C(=O)Nc1ccccc1 481380725 MNVXGZNWADHXHD-HRAATJIYSA-N 432.911 5.144 30 20 IKED CN(C(=O)N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)C1CCC(F)(F)CC1 481483989 JVDVTUJXIVMQJV-ZDUSSCGKSA-N 434.327 5.408 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 481923351 ZQEYZFHSDNLBFK-PBHICJAKSA-N 441.919 5.301 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2sc3c(c2C)CCCC3)nnc1-c1ccco1 482379338 RUMOXMSHLLJFTB-UHFFFAOYSA-N 428.583 5.094 30 20 IKED Cc1onc(-c2cccc(Br)c2)c1C(=O)[C@H](C#N)c1nccc2ccccc12 483209767 ZPRUYTDOGTUUCJ-GOSISDBHSA-N 432.277 5.451 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](C)Oc1ccccc1Br 483648838 VUSDVSFRHDDSMQ-CABCVRRESA-N 448.386 5.432 30 20 IKED CCc1c(NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cnn1C(CC)CC 484334971 GYOYUXMAYZTOSM-UHFFFAOYSA-N 425.924 5.161 30 20 IKED C[C@H](CC#N)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 484809918 LFMJTNNFDWVVRV-WDMNMGCXSA-N 426.476 5.052 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cnn(-c3cccc(Cl)c3)c2CC)cc1 485344156 IQWQVNPCQODKPR-UHFFFAOYSA-N 438.919 5.040 30 20 IKED C[C@@H](NC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F)c1nc(C(F)(F)F)cs1 488663693 RCLQYLBKAQFUBT-KSBSHMNSSA-N 433.324 5.104 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1-c1ccc(Cl)cc1 490513852 MYAMOTKTAXYTER-CQSZACIVSA-N 438.314 5.348 30 20 IKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(C)Cc3cccc(C#N)c3)cc12 498480747 ANFYAVKCMNSBPH-UHFFFAOYSA-N 434.952 5.252 30 20 IKED CC(=O)Nc1ccc(-c2noc(-c3cccc(C(F)(F)F)c3F)n2)cc1C(F)(F)F 499628177 VTEOQWYCQKJPDZ-UHFFFAOYSA-N 433.283 5.539 30 20 IKED COCCOc1ccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(C)c1 502516215 JXSVEDNGWAENOT-UHFFFAOYSA-N 445.519 5.423 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccccc3-c3cccs3)CC2)c1 502646899 BDKYDGCRAPHBLQ-UHFFFAOYSA-N 430.533 5.169 30 20 IKED Cc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1NC(=O)c1ccccc1 506565456 JOINLIFLAZRDTO-UHFFFAOYSA-N 429.545 5.702 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c(C)c1 508277259 ZSZIKPRFXNYHHH-KRWDZBQOSA-N 426.561 5.251 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511416943 VTIFVTSMPYWOAE-UHFFFAOYSA-N 438.531 5.647 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1nc2ccccc2s1 513655664 SULPGSWQWKYLKY-ZDUSSCGKSA-N 430.386 5.130 30 20 IKED N#C[C@H](C(=O)c1cccc2cccc(Br)c12)c1nc2ccccc2n1C(F)F 513660696 JXIJDRLDYCEPBP-CQSZACIVSA-N 440.247 5.837 30 20 IKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccccc3Oc3cccc(F)c3)CC2)cc1 516462473 YQXOKJMBWVDMIF-UHFFFAOYSA-N 444.510 5.229 30 20 IKED Cc1ccc(-n2nc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c3c2CCC3)c(F)c1 517518089 RYHUTOYIBBSJLK-INIZCTEOSA-N 434.540 5.455 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCC3CCN(Cc4cccs4)CC3)cc2)c1 517528975 CRYXYMBWABTTCZ-UHFFFAOYSA-N 446.576 5.446 30 20 IKED CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1=O 518140287 JSWLMOPQTVYGNS-GBESFXJTSA-N 435.593 5.443 30 20 IKED N#C[C@H](NC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1cccc(C(F)(F)F)c1 518849099 QVEIRDRRWGZVAH-HNNXBMFYSA-N 427.407 5.570 30 20 IKED C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 518860762 JIUCTAFNOLZBNU-QFIPXVFZSA-N 433.577 5.594 30 20 IKED CCC[C@H](NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)c1ccc(Cl)c(Cl)c1 520921601 VTPXMMDVLLSVGT-FQEVSTJZSA-N 444.366 5.115 30 20 IKED Cc1cc(Br)cc2c1N(C(=O)c1ccc(Oc3ccc(C#N)cn3)cc1)CCC2 521093893 KMRKABWZDDTFHZ-UHFFFAOYSA-N 448.320 5.410 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 521616781 ZOGGLFXQWVLUIH-UHFFFAOYSA-N 446.532 5.543 30 20 IKED Cc1ccc(OC2CCN(C(=O)c3occc3COc3cccc(C#N)c3)CC2)cc1C 522594769 AAGDSYOIJGKLFS-UHFFFAOYSA-N 430.504 5.031 30 20 IKED C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(OCc2ccccn2)c1 524565285 OEKBZEZNTSJGCU-MOPGFXCFSA-N 446.576 5.795 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccccc3Sc3ccccc3)CC2)c1 525156250 ZPUAXSJBGDMRNP-UHFFFAOYSA-N 441.556 5.200 30 20 IKED Cc1cccc([C@H](C)CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 525510146 ZEYHZKGENKOXTK-QGZVFWFLSA-N 447.922 5.171 30 20 IKED Cc1cnc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c(Br)c1 533603733 FSKMFFZBHJQGOX-UHFFFAOYSA-N 426.245 5.208 30 20 IKED CCN(Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1)[C@H](C)c1ccc(C#N)cc1 534487176 OUTLFAHJSKMROK-LJQANCHMSA-N 432.593 5.899 30 20 IKED COC(=O)[C@@H]1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)c2ccccc21 535469774 OXIUCGQVESUTQD-OAQYLSRUSA-N 428.513 5.017 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)cc1 537926801 KDOWYVNOGBXBSU-NBGIEHNGSA-N 443.503 5.258 30 20 IKED CC(C)(C)NC(=O)c1ccc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)cc1 540281667 JEPKEDSCADYCLJ-UHFFFAOYSA-N 426.520 5.075 30 20 IKED Cc1cccc([C@H]2CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)C2)c1 541418977 BWPZCMXRCMEROY-DEOSSOPVSA-N 425.532 5.662 30 20 IKED Cc1sc2nc([C@@H](C)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)nc(N)c2c1C 542945485 RPNZPLBERHDSDM-JKSUJKDBSA-N 427.577 5.841 30 20 IKED Cc1sc([C@@H](C)NCc2ccc(C#N)cc2OC(F)F)nc1-c1ccc(Cl)cc1 543502934 BLQFZQDSKQLBAL-GFCCVEGCSA-N 433.911 6.096 30 20 IKED Cc1nccc(NCc2cccc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)c2)n1 543522470 NABXFWYSWRIIKJ-UHFFFAOYSA-N 435.487 5.313 30 20 IKED CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cc1 543888596 UMWXRELAKNBWLP-HXUWFJFHSA-N 435.915 5.165 30 20 IKED C[C@H](NC1CCN(C(=O)c2ccccc2Cl)CC1)c1ccc(-c2cccc(C#N)c2)cc1 544043684 NKGVXKLEUHVBKA-IBGZPJMESA-N 443.978 5.834 30 20 IKED Cc1nc(C(F)(F)F)c(CSCC(=O)Nc2ccccc2S[C@@H](C)CC#N)s1 544697091 JTJLTOVLLLUILJ-NSHDSACASA-N 445.557 5.737 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccccc1Oc1ccccc1Cl 554364788 OANKLWQSXMGENU-UHFFFAOYSA-N 426.900 5.828 30 20 IKED COc1ccc(-c2csc(NC(=O)c3sc4ccc(C#N)cc4c3C)n2)cc1OC 555966495 LWIBNDSGONQJLN-UHFFFAOYSA-N 435.530 5.474 30 20 IKED O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@H](c2ccccc2OC(F)F)C(F)(F)F)c1 559147915 KYXVFVKZPTWCIJ-CQSZACIVSA-N 444.278 5.608 30 20 IKED Cc1c(Cl)c(C(F)(F)F)nn1Cc1nc([C@@H](F)c2ccc(C(F)(F)F)cc2)no1 564450797 YUHWPKYRRLGQAV-LBPRGKRZSA-N 442.722 5.373 30 20 IKED N#C[C@H](NC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 569735352 URNPGDUYYCZAKW-HNNXBMFYSA-N 439.315 5.374 30 20 IKED N#CC1(c2ccccn2)CCN(Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)CC1 569943029 NPKGOOGUVWIWQF-GOSISDBHSA-N 443.391 5.011 30 20 IKED Cn1ncc2ccc(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cc21 575798362 RAIOYCZUPHIOBJ-NRFANRHFSA-N 429.911 5.204 30 20 IKED CC(C)c1scnc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 575911067 VHOXRGBJTCAJRL-UHFFFAOYSA-N 436.484 5.457 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)CCc3ncc(-c4ccccc4Cl)o3)n2)cc1 590613296 MBEUHPYYTRMYOZ-UHFFFAOYSA-N 434.908 5.561 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1nc(-c2ccccc2Cl)cs1 603727663 KWGIGBDDIGSRMR-UHFFFAOYSA-N 427.913 5.141 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 604077156 FRUKFLRXZPGNKE-UHFFFAOYSA-N 444.510 5.071 30 20 IKED Cc1ccc([C@@H](C)N(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C)c1 604085455 KAFUDLLRLJLZBA-OAQYLSRUSA-N 427.548 6.173 30 20 IKED C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 604445916 QAVCOJKTBRIXAO-MZKRTTBSSA-N 433.621 5.328 30 20 IKED C=CCn1c(S[C@@H](CC)c2ccc(F)cc2F)nnc1[C@H]1COc2ccccc2O1 606150375 SRKRVTMKOMDTBB-UXHICEINSA-N 429.492 5.498 30 20 IKED N#C[C@@H](C(=O)c1cccc(OC2CCCCC2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 606754372 UPFDKKHHIYMFLK-IBGZPJMESA-N 447.560 5.477 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCO[C@H](c3ccccc3)C2)cc1Cl 609253464 MRIHJNWIZNNGGF-NOZRDPDXSA-N 445.950 5.991 30 20 IKED COc1ccc(C(C)(C)CNC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC 609436035 FUOHOIBNKTZPNY-MRXNPFEDSA-N 427.570 5.197 30 20 IKED CN(Cc1cccc2ccccc12)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609437875 VLRDGAGLKBBVOI-UHFFFAOYSA-N 435.483 5.101 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)CCCCOc3cccc(C#N)c3)s2)cc1 609505334 YCCXEWBCGSXTMK-GOSISDBHSA-N 433.577 5.725 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCCCCCN3CCCCC3)cc2F)c1 609556480 NKGSIJRIRGOCDK-UHFFFAOYSA-N 438.547 5.054 30 20 IKED CN1CCC[C@H](CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@@H]1c1cccs1 610180861 STMQKPWTEWPBNK-PXDATVDWSA-N 445.588 5.012 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(OCc2ccccc2F)CC1 611261359 LXOFQUOZJNDBBN-QGZVFWFLSA-N 427.545 5.291 30 20 IKED O=C(COc1ccc(C(F)(F)F)cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 611829157 KKPOYLRXFOXWJQ-QWRGUYRKSA-N 437.302 5.110 30 20 IKED COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1 612298658 FCTMXGSZHBWFBP-HXOBKFHXSA-N 428.492 5.369 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1 612646660 XUJXTXOUSRIXMP-KRWDZBQOSA-N 440.263 5.156 30 20 IKED N#CC1(c2ccc(-c3nc(Cc4nc5cc(C(F)(F)F)ccc5s4)no3)cc2)CC1 612881678 BUONVIFEOJMYTD-UHFFFAOYSA-N 426.423 5.511 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cccnc2SCc2ccc(F)cc2)cc1 615367767 BMROBBIQNDFYRN-UHFFFAOYSA-N 436.512 5.073 30 20 IKED CCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 619428142 BPGDRRGPRJBDAA-UHFFFAOYSA-N 444.878 5.869 30 20 IKED CCN([C@@H](c1ccc(C(C)C)cc1)c1cccnc1)S(=O)(=O)c1cccc(CC#N)c1 619489729 HOHJLNFLUGURMI-VWLOTQADSA-N 433.577 5.071 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2c(C(C)C)noc2n1 620347548 MZFPYXZILKURMM-CYBMUJFWSA-N 444.438 5.773 30 20 IKED O=C(NCc1ccc(NC(=O)c2ccco2)cc1)Nc1cccc(C#Cc2cccs2)c1 642480202 BCQSQAGANJJORG-UHFFFAOYSA-N 441.512 5.315 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)nnc1-c1ccccc1 662023790 BTGPAERFUUDAQN-RBUKOAKNSA-N 442.588 5.642 30 20 IKED CC(=O)c1ccc(C#N)cc1N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 680373355 BAIDWQSNBAFMIL-RUZDIDTESA-N 444.579 5.454 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N[C@H]1CCCc2ccc(F)cc21 684363440 QMMKLJCCVOIEIZ-MKBNYLNASA-N 426.376 5.412 30 20 IKED COc1ccc(OC)c(NC(=S)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 726480790 NCODUXKLRLKMTP-UHFFFAOYSA-N 435.524 5.114 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)sc1-c1ccc(F)cc1 726733276 UFIYSLDOSXFSTQ-HXUWFJFHSA-N 428.488 5.977 30 20 IKED CCCCC[C@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1 728007326 AVNOLQVQGUSRMO-NRFANRHFSA-N 446.551 5.460 30 20 IKED CC(C)c1cccc(NC(=O)CON=C(Cc2nc3ccccc3n2C)c2ccccc2)c1 731664306 IZVXVAAHHRHQLO-UHFFFAOYSA-N 440.547 5.299 30 20 IKED CCCCCCCCC(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 732163868 OGFCBPPFFYTDQH-LJQANCHMSA-N 448.405 5.837 30 20 IKED CC(C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 732398464 HECHGROQYBAVRJ-QGZVFWFLSA-N 429.476 5.053 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 732900929 FCIPNNVQRDXXAU-SFHVURJKSA-N 436.414 5.117 30 20 IKED Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 733259529 YMLZBHPSCURCIF-IBGZPJMESA-N 443.286 5.281 30 20 IKED C=CC[C@@H](NC(=O)N(CCC)Cc1nnc(-c2ccccc2Cl)o1)c1ccncc1 734680830 VRUMCJFCYUNZCI-LJQANCHMSA-N 425.920 5.024 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 735013708 QBRCUVQAHLINIM-NRFANRHFSA-N 445.906 5.615 30 20 IKED C[C@H](OC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C(=O)N1CCC[C@@H]1c1cccs1 738752260 DMANSNNQSPTNLD-HTAPYJJXSA-N 445.544 5.272 30 20 IKED CC(=NN=C1c2ccccc2-c2ccccc21)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741760170 ULSBWCGKQDCQJS-UHFFFAOYSA-N 442.462 5.265 30 20 IKED C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1C(F)(F)F 744024928 FELDITBVXGIHMS-ABAIWWIYSA-N 442.409 5.471 30 20 IKED Cc1nc(CSc2ccc(C(=O)NC3CCN(c4ccccc4C#N)CC3)cc2)cs1 747336215 BXFKSYROEAGFOC-UHFFFAOYSA-N 448.617 5.014 30 20 IKED COc1ccc(/C=C2/COc3c(Br)cc(C)cc3C2=O)cc1OCCCC#N 747361659 UZLFZYQUODIQHM-WJDWOHSUSA-N 442.309 5.107 30 20 IKED C[C@@H](Sc1nc2cc(C(F)(F)F)ccc2s1)C(=O)N(CCC#N)c1ccccc1 753853677 GRXVMTUDECUJML-CYBMUJFWSA-N 435.496 5.743 30 20 IKED CCN(C(=O)NCc1ccc(OCC#N)cc1)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 760165977 NFRUCGIXMGXWPV-FQEVSTJZSA-N 443.547 5.557 30 20 IKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 761845562 JXHZGVUUEWEFDG-IBVKSMDESA-N 441.531 5.612 30 20 IKED N#C[C@@H](C(=O)Cc1cccc(OCCCOc2ccccc2)c1)c1ccc2ccccc2n1 766616222 GBWUNZLFCBCQIG-RUZDIDTESA-N 436.511 5.502 30 20 IKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(Cc1ccc(O[C@H](C)C#N)cc1)CC2 768180458 PRLUHSRPQSTZLQ-CRICUBBOSA-N 434.561 5.204 30 20 IKED COc1ccccc1[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccco1 768969048 JELGJBCFYLXVBW-JYFHCDHNSA-N 437.499 5.855 30 20 IKED Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1CN(CCC#N)Cc1ccccn1 769335905 SXZSZKLADFHVEA-UHFFFAOYSA-N 448.785 5.511 30 20 IKED C#CCOc1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccccc4OC)cs3)C2)cc1 772283640 ZIECNWONTLHYIZ-GOSISDBHSA-N 447.560 5.242 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)cc1 772597265 RTEUEYWSNZHJCZ-YADHBBJMSA-N 425.315 5.711 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H](c2ccc(Br)cc2)C2CC2)ccc1OC 774450922 WDRDNYJGQDFCEN-KNQAVFIVSA-N 429.358 5.380 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)c1 775974521 KMDWRLPLIMCCLZ-AEFFLSMTSA-N 425.838 5.124 30 20 IKED CC1(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCN(C(=O)OC(C)(C)C)CC1 779398487 YZVUVJRSVYJOPE-QFIPXVFZSA-N 448.567 5.253 30 20 IKED O=C1/C(=C/c2ccc3cnccc3c2)CC2(CCOCC2)C/C1=C\c1ccc2cnccc2c1 782341451 JXEWNVLPKKUZKE-DPCVLPDWSA-N 446.550 6.410 30 20 IKED Cc1ccnc2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c(C)c12 786304938 XLKOJLVUIKEYIF-AWEZNQCLSA-N 431.489 5.189 30 20 IKED COc1cccc([C@H](C)CC(=O)[C@@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 787050572 PZRRDTRZTQPSIO-BIENJYKASA-N 433.335 5.082 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(Br)cc2C(F)(F)F)ccc1OCC#N 790233198 QMMYDWRTAOIGGH-KXFIGUGUSA-N 440.215 5.275 30 20 IKED C#CC[C@H](NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccccc1 790795521 DMYAPSTWRQAWTK-FCHUYYIVSA-N 430.470 5.237 30 20 IKED Cc1c([C@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)oc2ccccc12 792402474 YQCPMBXKUATHDJ-MBSDFSHPSA-N 437.499 5.213 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc(Cl)c1Br 793123243 GUSGNLFIBNIQQZ-INIZCTEOSA-N 441.712 5.525 30 20 IKED C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1CCC([C@@H](F)c2ccccc2F)CC1 796131270 BGNVBESNXLMSSN-QMTHXVAHSA-N 448.382 5.271 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797566883 BMPLDGYNKVZDCU-OAHLLOKOSA-N 430.936 5.276 30 20 IKED C=CCn1c(CSc2ccccc2OC)nnc1N1CCC(c2cccc(F)c2)CC1 800779999 GNOUJQVMCVMYQS-UHFFFAOYSA-N 438.572 5.288 30 20 IKED Cc1cc(CSc2ccccc2C(=O)Nc2ccc(C#N)c(Br)c2)on1 808871206 FJXRHOGNDLFNSO-UHFFFAOYSA-N 428.311 5.162 30 20 IKED N#C[C@@H]1C(CN2CCCCC[C@@H]2Cc2ccccc2Cl)=CC(=O)n2c1nc1ccccc12 815151048 JOCJFUZNGMMQNU-NHCUHLMSSA-N 444.966 5.364 30 20 IKED C[C@@H](NC(=O)[C@H](C#N)C(=O)c1cnc2c(F)ccc(F)c2c1)c1ccc(Cl)cc1Cl 816039016 LVTZETVJEVLCRC-MEBBXXQBSA-N 448.256 5.020 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2OCc2cscn2)cc1 915085170 HYLFBAKOWBYRNQ-HSZRJFAPSA-N 425.513 5.630 30 20 IKED N#C[C@H](C(=O)CCc1nnc(-c2ccsc2)o1)c1nc2cc(C(F)(F)F)ccc2s1 915104444 RCBUQPXBVAWQNT-GFCCVEGCSA-N 448.451 5.236 30 20 IKED CCOc1cc(/C=C\C(=O)c2cc(F)ccc2F)ccc1OCc1ccc(C(=O)OC)o1 916134166 FQITXQMWEBTOEL-WTKPLQERSA-N 442.414 5.218 30 20 IKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1 916212891 SWQYULUBXAJENS-GOSISDBHSA-N 449.498 5.384 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl 916902329 DWPCJZIYSOQNDU-IBWPDUFMSA-N 448.872 5.844 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 916938369 KJLCZQWYZLCWMO-CYBMUJFWSA-N 434.279 5.217 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)n(C3CCCCC3)c2C)cc1Cl 916939479 HUCLNYREEAAKPT-LJQANCHMSA-N 427.932 5.233 30 20 IKED COc1ccc(-c2nnc(S)n2N=Cc2cc(C)n(C3CCCCC3)c2C)c(OC)c1 917030364 HQEFXRPBQATEJU-UHFFFAOYSA-N 439.585 5.057 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=Nn1c(S)nnc1-c1ccccc1Cl 917538452 JCJNIDSOOVMVCK-UHFFFAOYSA-N 443.363 5.225 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(OC(F)F)cc2)cs1 917561816 OJYVXCPZANQQEA-WDZFZDKYSA-N 432.423 5.464 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(Oc2cccnc2)cc1 920790448 ZESMWGKJIAWKIS-HSZRJFAPSA-N 449.466 5.627 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)C4(C(F)(F)F)CCC4)cc3)CCC2)cc1 1787936925 HBMMJXOPPJBHCA-UHFFFAOYSA-N 441.453 5.039 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@H]4c4ccc(Cl)cc4)cc3)CCC2)C1 1789152717 VTBHIUQPPUOMRB-GOTSBHOMSA-N 434.967 5.544 30 20 IKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C(F)(F)F)cc4)CCC3)cc2)CCC1 1792231247 FNCOOHRLJHIVCV-UHFFFAOYSA-N 441.453 5.147 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C(F)(F)F)c(F)c1)C2 1792573404 RYBORPYSSSFROJ-BJWYYQGGSA-N 440.481 5.089 30 20 IKED CC(C)c1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)cc1 1820595890 YIDCAXHQCIPWRJ-QHCPKHFHSA-N 441.535 5.024 30 20 IKED CC1=CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)CC1 1823215257 PBZCHIZIDCKWKP-SFYKDHMMSA-N 445.567 5.089 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccccc3)CC2)CC1 1828823840 HBZOHEIAUDHURW-LOSJGSFVSA-N 434.624 5.106 30 20 IKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)cc1Cl 1830011342 JDQKSUXZDDDBAO-XMMPIXPASA-N 449.982 5.067 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2)CC1 1830025887 RNXNLZZYFXQOIH-XZOQPEGZSA-N 429.004 5.342 30 20 IKED Cc1ccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(N(C)C)cc2)c(C)c1 10168855 UXOFXMWHVUCHEB-UHFFFAOYSA-O 446.640 5.831 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cccc(Cl)c2)cc1 10830899 FNFMILASRNHXQD-UHFFFAOYSA-O 445.942 5.909 30 20 IKED CCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2ccc(C)c(F)c2)cc1 11082823 OMZIHSKXHOKJSL-UHFFFAOYSA-O 427.952 5.688 30 20 IKED C=CCn1c(SCc2ccc(C(=O)Nc3ccccc3)cc2)nnc1-c1ccc(F)cc1 11394018 XUWADODARBZOFO-UHFFFAOYSA-N 444.535 5.815 30 20 IKED N#Cc1ccc(CCC(=O)OCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)cc1 12954498 HXJLBCHHKIRICA-UHFFFAOYSA-N 446.117 5.286 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(N(C)C)cc2)cs1)c1ccc(F)cc1F 15189159 UQORITJPHPZCHI-YRNVUSSQSA-N 427.476 5.068 30 20 IKED Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4ccc(C(C)(C)C#N)cc4)cc3C2=O)c1 25437583 BQFBAYIUEKQFFK-UHFFFAOYSA-N 437.499 5.158 30 20 IKED C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1Br)c1ccc(C#N)cc1 26121880 GOODIMLEPQBBFW-OAHLLOKOSA-N 448.320 5.064 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(C[C@@H](C)c3ccccc3)o2)c1 28867636 WGKMOLDWITZAMT-LJQANCHMSA-N 434.565 5.072 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)cc1 29201420 ZLGAUEYDKSUJHB-UHFFFAOYSA-N 445.947 5.333 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc(Cl)sc3Cl)s2)cc1 32531050 OMNQCCCJJIFMFB-UHFFFAOYSA-N 427.363 5.323 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)nc2sccc2c1=O 36800033 OOKRUJPBCZLURF-SNVBAGLBSA-N 440.377 5.070 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 46879843 RPCMAXFXNKAFIQ-FQEVSTJZSA-N 449.510 6.127 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)NCc3cccc4ccccc34)s2)cc1 58426519 MBJPUKKWMBCXJN-UHFFFAOYSA-N 431.546 5.177 30 20 IKED N#CC1CCN(C(=O)c2cc(-c3cccs3)n(-c3cc(Cl)cc(Cl)c3)n2)CC1 61584981 JWDWELFLTRTVNJ-UHFFFAOYSA-N 431.348 5.283 30 20 IKED Cc1c(C#N)c(SCC(=O)Nc2cccc(CSc3ccccn3)c2)nc2c1CCC2 64854133 JIGRCNURUSJIQH-UHFFFAOYSA-N 446.601 5.169 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2ccccc2C(C)C)cc1 72074620 FWEWMTRGZQNXBS-SFHVURJKSA-N 429.520 5.922 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1c(Cl)cccc1Cl 303299148 ODIRLJITQWSQRC-ZDUSSCGKSA-N 425.406 6.260 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)N(CCC(F)(F)F)CC(F)(F)F)s2)c(F)c1 409949187 VBEFCQNXCLKLJV-UHFFFAOYSA-N 444.372 5.223 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1 432854460 XVXCOGCFIYBHEB-HSZRJFAPSA-N 440.503 5.916 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N(Cc1cccc2ccccc12)C1CCCC1 435004002 HIAVIEVTTIDOMW-UHFFFAOYSA-N 442.563 5.178 30 20 IKED N#CCCCn1cc(-c2nc(-c3ccc(OCc4cccnc4)cc3)no2)c2ccccc21 436098534 BWBINJJLLQNBEB-UHFFFAOYSA-N 435.487 5.636 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccn(-c2ccc(F)cc2)n1 437437561 GTQALYGHZFWIEC-MRXNPFEDSA-N 440.569 5.278 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NC[C@H]3CCC[C@@H](C(F)(F)F)C3)c2)c1 438619790 DVJRHXBOQXLTQM-FUHWJXTLSA-N 444.457 5.301 30 20 IKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)C(=O)Nc1cc(C#N)ccc1Cl 439325767 SLWBOTWQSABPHP-MRXNPFEDSA-N 433.895 5.237 30 20 IKED CCCc1c(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)cnn1-c1cccc(C#N)c1 439679839 YGTBCTZKFOUTGG-JOCHJYFZSA-N 433.943 5.719 30 20 IKED N#Cc1ccc(NC(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cc1C(F)(F)F 441103086 JMCLOFYGVFAALB-QGZVFWFLSA-N 433.821 5.476 30 20 IKED Cc1ccccc1[C@@H](CC(F)(F)F)NCC(=O)Nc1ccccc1SC[C@H](C)C#N 444779473 BZIQPVWNSHIDNR-DNVCBOLYSA-N 435.515 5.469 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(N=c2cc[nH]cc2)cc1 462001701 UAPZOESHBFKEAH-UHFFFAOYSA-N 434.499 5.259 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)c1 464326362 WLUYXXIMURLOCG-OAQYLSRUSA-N 428.557 5.392 30 20 IKED COc1cc(CN[C@@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)c([N+](=O)[O-])cc1F 464478768 GKGZDHAMGLLKSO-HNNXBMFYSA-N 442.287 5.034 30 20 IKED N#C[C@H](C(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1)c1nc2cc(Cl)ccc2s1 464509415 ICUZCVFPYYLBCC-CYBMUJFWSA-N 444.850 5.431 30 20 IKED CCCn1ccc2ccc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc21 465168826 XPAMFHQBZDJEDP-UHFFFAOYSA-N 443.507 5.026 30 20 IKED COc1ccc([C@H](C)CCNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 466033108 HBXVASUDGWTWRS-HXUWFJFHSA-N 445.538 5.612 30 20 IKED Cc1ccccc1O[C@@H](C)CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 466165022 LLCBOANXGBEFIZ-FQEVSTJZSA-N 429.520 5.229 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 467842548 ZBSPHGJVPFKWSQ-QAQDUYKDSA-N 430.335 5.036 30 20 IKED CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 470529114 XIIMSPLATLHODJ-RYUDHWBXSA-N 434.327 5.264 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 471120886 CXJBHCREDMWILL-HXUWFJFHSA-N 442.906 5.093 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1 479499048 HGHWASVZUFPFDO-UHFFFAOYSA-N 427.529 5.198 30 20 IKED Cc1noc(COc2ccc(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)cc2)n1 479609240 BJQLGAHDCFJXKN-UHFFFAOYSA-N 442.500 5.232 30 20 IKED N#C[C@@H](C(=O)c1cccc(COC2CCOCC2)c1)c1nc2cc(Cl)ccc2s1 487932810 SQKISVFJUUKCAW-SFHVURJKSA-N 426.925 5.135 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1SCC(=O)Nc1c(Cl)cc(Cl)cc1Cl 488791832 ZTFHOIGEOSZMTM-UHFFFAOYSA-N 440.661 5.663 30 20 IKED CC[C@H](c1ccccc1)c1nnc(S[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)o1 488813279 FNXCDIUSFDFLRE-SUMWQHHRSA-N 426.929 5.256 30 20 IKED C=C(C)Cn1c(S[C@@H](C)C(=O)Nc2ccccc2[C@H](C)CC)nnc1-c1ccncc1 489385765 FQPRAGBIDQRBEY-MSOLQXFVSA-N 435.597 5.549 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)N3c4ccccc4CC[C@H]3C)o2)cc1 489739470 DOJJSWIYADUEGD-SJORKVTESA-N 435.549 5.150 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2cc3cc(Br)cc(Br)c3o2)n1 492625556 FXAHDVNSHUYGRT-SNVBAGLBSA-N 440.116 5.213 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(Cl)ccc3OC[C@H]3CCOC3)cc2)nc1 494767523 KWIOJPCLKYUGDO-KRWDZBQOSA-N 449.894 5.067 30 20 IKED Cc1cc(F)cc([C@@]2(F)CCN(CC(=O)Nc3ccccc3S[C@H](C)CC#N)C2)c1 502930090 HVYSTWSMPKFWGU-UZUQRXQVSA-N 429.536 5.038 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(CC(=O)Nc2ccc(Cl)cc2)no1 504216160 QKGFCLLPZXGCQV-UHFFFAOYSA-N 437.805 5.155 30 20 IKED CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)c1 505508073 VNTIASBJTCUDPO-SFHVURJKSA-N 432.351 5.106 30 20 IKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1 505839032 QEPVMWNIIRIVBJ-QGZVFWFLSA-N 428.414 5.048 30 20 IKED Cc1onc(-c2cccnc2)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 506460531 OUHZCCDVMQMRDP-HXUWFJFHSA-N 428.879 5.606 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cccc(Cn2cccn2)c1 510661112 IJQZGSGAJHXCPW-UHFFFAOYSA-N 437.503 5.226 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NC3CCC(C(F)(F)F)CC3)c2)c1 511473498 GHDBMNKKJMRDEI-UHFFFAOYSA-N 430.430 5.053 30 20 IKED CN(CCCc1cc(-c2ccccc2)no1)Cc1cn(CCC#N)nc1-c1ccccc1 512679703 ZGFZAXROFPUMTQ-UHFFFAOYSA-N 425.536 5.183 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1nc2ccccc2n1C(F)F 512975320 KXNTUUNHSYSQOQ-OAHLLOKOSA-N 438.821 5.762 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)c2cccc(COc3ccccc3C#N)c2)c(OC)c1 513141784 VAPXHEGVOGJJRW-XMMPIXPASA-N 442.515 5.132 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCC(Oc3ccccc3Cl)CC2)c1 513876745 QTLCZOHXIYNGCL-UHFFFAOYSA-N 436.895 5.067 30 20 IKED CN(C[C@@H]1OCCc2ccccc21)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 513984180 ZKIYKHQVISIGDV-NOZRDPDXSA-N 445.950 5.773 30 20 IKED CCCN(CCC)C(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1 515678483 FQZAQDANRHMKBT-UHFFFAOYSA-N 445.519 5.245 30 20 IKED C[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 516294340 TXBJTXBMZJSPOF-INIZCTEOSA-N 433.895 5.162 30 20 IKED N#Cc1ccncc1C(=O)Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1 517259745 NGPUSMGYNRKSQI-UHFFFAOYSA-N 435.306 5.245 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 517474228 WTDABDZTAAAHJN-KUHUBIRLSA-N 433.936 5.336 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nnc2n1CCCCC2 517597950 DMIFGPPJTLVIQW-UZLBHIALSA-N 448.958 5.196 30 20 IKED CC1CCN([C@@H](CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccccc2)CC1 518168492 IYMHYTMLLJUPIM-REWPJTCUSA-N 436.625 5.533 30 20 IKED C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 518375875 PYKYUUDKLVCLQR-CQSZACIVSA-N 426.303 5.886 30 20 IKED N#CCCCOc1cccc(NC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)c1 519309100 MJAVVIPUAOMDGO-UHFFFAOYSA-N 428.460 5.951 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2Cl)c2ccccc2)cc1 519879508 USQWUWKQOQVVNI-HSZRJFAPSA-N 445.950 5.180 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3ccc(N4CCCCC4)nc3)c2)cc1 520601547 XUUYGONUGZAMNQ-UHFFFAOYSA-N 427.508 5.058 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(-c2cccs2)on1 520827481 GKIBXSXKBMXCQD-CQSZACIVSA-N 429.592 5.527 30 20 IKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cccc(CC#N)c1 521293766 GVSVRILDJOBTOD-UHFFFAOYSA-N 437.421 5.585 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H](c2ccccc2)n2cccn2)cc1Cl 522654515 MVJUYMRCDRDQLV-VWNXMTODSA-N 426.907 5.420 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC3(CCC3)c3c(F)cccc32)cc1C 523572520 PSHPMJZRFUDSGA-UHFFFAOYSA-N 428.511 5.302 30 20 IKED Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 524312630 WVHOAXRDWYNXMO-UHFFFAOYSA-N 441.535 5.055 30 20 IKED Cn1cc(Br)cc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 524473747 DPHNVJPDQUIZLJ-KRWDZBQOSA-N 428.717 5.349 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(Oc2ccccc2Cl)CC1 532827233 JAKFVCUVHSJGRE-KRWDZBQOSA-N 444.000 5.216 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OC)c(-c4ccccn4)c3)n2)cc1 533667865 FHQAAGXXMZYQRI-FQEVSTJZSA-N 441.512 5.379 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2Cl)CC1 533854933 NCYNHCDLKUWILN-HNNXBMFYSA-N 432.952 5.227 30 20 IKED CC(C)c1cc(Br)ccc1NC(=O)CCCC(=O)Nc1ccccc1C#N 534940114 MMUZXJVQWQBWHC-UHFFFAOYSA-N 428.330 5.192 30 20 IKED N#Cc1ccccc1COc1cccc(CNc2cccc3c2CN(c2ccccn2)C3)c1 535251244 JSCQJFDSORROTO-UHFFFAOYSA-N 432.527 5.665 30 20 IKED N#CC1(c2ccc(C(=O)N3CCCC[C@H]3C(=O)Nc3cc(Cl)ccc3Cl)cc2)CC1 540733764 YMWJAVNEQNDJTH-FQEVSTJZSA-N 442.346 5.182 30 20 IKED C[C@H](c1ccccc1)n1c(SCCCC2(C#N)CCOCC2)nc2ccccc2c1=O 540768195 HCJFWDFWEXTOAA-LJQANCHMSA-N 433.577 5.198 30 20 IKED COc1ccc(C#N)cc1CN[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 544464102 HIRMBGUVKWEUSE-ZDUSSCGKSA-N 428.355 5.304 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H](C2CCCC2)C(F)(F)F)cc1 546839183 WCAWHNIWESMOOR-NRFANRHFSA-N 431.458 5.574 30 20 IKED CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 548955219 XVHHTUOKCRAKJD-HXUWFJFHSA-N 440.543 5.913 30 20 IKED Cn1cc(Oc2ccccc2C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cn1 549423227 KIKZJVAGLGIVES-GOSISDBHSA-N 434.908 5.479 30 20 IKED Cc1c(COC(C)(C)C)cccc1NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N 551138833 JMTHXXKKIBYHPS-UHFFFAOYSA-N 427.570 5.118 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3Cl)CC2)c(F)c1 552342383 JEFWFQVNFOBJGO-DLBZAZTESA-N 433.310 5.178 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(OCc4ccccc4)CC3)c2)cc1 552616126 NKPVDHOEEFYSET-UHFFFAOYSA-N 427.504 5.564 30 20 IKED COc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c(C(F)(F)F)c1 552641173 KOMFONOHTWQUFX-UHFFFAOYSA-N 430.357 5.769 30 20 IKED O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)N[C@@H](c1cccc(F)c1F)C(F)(F)F 568136424 UCIJNQNNNJRZFY-ZDUSSCGKSA-N 448.298 5.378 30 20 IKED CC(C)(C)n1cc(C(=O)Nc2cc(C#N)c3ccccc3n2)c(-c2ccc(F)cc2F)n1 570005096 GNSBNEBEFUOEBZ-UHFFFAOYSA-N 431.446 5.255 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nc(C3CC3)n(-c3ccccc3)n2)c1 597469031 XTCZMWAMYLIHCT-IBGZPJMESA-N 445.592 5.189 30 20 IKED C=CCOc1ccc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)cc1 597827642 GAITZESKHGMLOH-UHFFFAOYSA-N 427.504 5.094 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(Cc4cccc(F)c4)CC3)cn2)cc1 603829157 LDWNKSSVDYQIOP-UHFFFAOYSA-N 430.483 5.371 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3)cc2Cl)cc1 604027289 UMJYPCVSQANKPA-QFIPXVFZSA-N 445.906 5.247 30 20 IKED Cc1ccc([C@H](C)N(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(C)c1 604085205 VTLAMJVPIXGKHG-NRFANRHFSA-N 427.548 6.173 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(Cc3ccccc3)no2)nc2sc(C)c(C)c2c1=O 607436578 OIJPQIKITQHWEC-HNNXBMFYSA-N 438.578 5.088 30 20 IKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)Nc3sc4c(c3C#N)CCCC4)c12 609018615 HRDJVQKLOSXPQS-UHFFFAOYSA-N 432.505 5.670 30 20 IKED COc1cccc2c1OC[C@H](NC(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)C2 609123428 KOFXPNJIMFEYJK-TZIWHRDSSA-N 447.922 5.129 30 20 IKED COc1ccc(S[C@H](C)C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 609173537 SPUOBPILABAPMW-KOSHJBKYSA-N 432.545 5.136 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H](c2nc3ccccc3o2)C1 609385175 WZEBOSYZCFOJGU-ROUUACIJSA-N 434.565 5.040 30 20 IKED Cc1ccccc1Oc1ccccc1CNC(=O)C(=O)Nc1ccccc1SCCC#N 609404557 FYLIYZVLUKSHPH-UHFFFAOYSA-N 445.544 5.048 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)c2)cc1 609985601 GQPVEDMLZQROLT-UHFFFAOYSA-N 448.530 5.539 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](COCc1ccccc1)c1ccccc1 610146676 ORCYKNPUJPOGBZ-AREMUKBSSA-N 425.532 5.214 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 610324994 ZCOYUDDHEGXHPM-HNNXBMFYSA-N 425.945 5.623 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1OC(C)C 613405000 ZFOPXAYQDDWRKG-CQSZACIVSA-N 434.439 5.601 30 20 IKED C[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(OC(F)F)cc1 618554655 WYEDFGFUTASURQ-JLLWLGSASA-N 434.327 5.121 30 20 IKED O=C(c1csc(-c2ccccc2F)n1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 620207412 CJERECKSKOXMFB-NXEZZACHSA-N 426.357 5.152 30 20 IKED N#C[C@H](C(=O)c1cc(Br)c2ccccc2c1)c1nc(-c2ccncc2)cs1 645957558 UXGKPKKWVGYDBA-QGZVFWFLSA-N 434.318 5.611 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cc(O)nc2ccc(F)cc12 671290341 VKPNPENISFINHI-UHFFFAOYSA-N 446.322 5.389 30 20 IKED CCOc1cc(Br)c(CC(=O)N(CCC#N)c2ccc(C)cc2)cc1OCC 726941691 ILWDQWIGLOBKFJ-UHFFFAOYSA-N 445.357 5.044 30 20 IKED CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 727727869 LCFUAHBGFBMHHI-DEOSSOPVSA-N 438.528 5.076 30 20 IKED N#C[C@H](C(=O)CCc1cccc(OC2CCCC2)c1)C(=O)Nc1cccc2ccccc12 727953570 JYHASFDDLRKPKH-XMMPIXPASA-N 426.516 5.441 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C[C@@H]3OC(=O)c4ccccc43)cc2Cl)c1 727999838 SWIJQTLTCSHVRP-QFIPXVFZSA-N 432.863 5.031 30 20 IKED N#CCOc1ccc(CSc2nc3ccccc3c(=O)n2CCC2=CCCCC2)cc1 729241335 VAZNQTXOEYFODK-UHFFFAOYSA-N 431.561 5.482 30 20 IKED N#C[C@@H](C(=O)[C@@H](Oc1cc(Cl)ccc1Cl)c1ccccc1)c1nc2ccccc2o1 730398675 LMULUBDDVVCHRH-AOMKIAJQSA-N 437.282 6.131 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCCC2)cc1F 730534647 RGVLCRSUFZFWGC-HXUWFJFHSA-N 443.519 5.176 30 20 IKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2sccc2SC(F)F)ccc1Cl 730659290 LPBCYENAZGNBTD-UHFFFAOYSA-N 444.912 5.128 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1 730899033 OJELQNSZLQWTBQ-FQEVSTJZSA-N 441.409 5.224 30 20 IKED Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc12 731332239 HEIRLPFEJPMENO-INIZCTEOSA-N 427.533 5.376 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNCc2ccc(-c3ccccc3Br)s2)c1 733800867 KLHISNHZPBHMDK-KRWDZBQOSA-N 441.394 6.148 30 20 IKED COc1ccc2c(c1)c(C(=O)Nc1cccc(OCC#N)c1)c(C)n2Cc1ccccc1 737504595 JVDGDXSTSHSJKP-UHFFFAOYSA-N 425.488 5.161 30 20 IKED Cc1oc(-c2ccccc2F)nc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 739154496 KDFWAANNGOPDCZ-CYBMUJFWSA-N 432.238 5.057 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ncccc2OCCCC#N)c(Cl)c1 740784457 FZYPCCATGHXWII-UHFFFAOYSA-N 430.892 5.017 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)n1 747194412 ZPHAZFZPGWBYPE-DOTOQJQBSA-N 436.364 5.054 30 20 IKED C[C@@H](OC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccc(C#N)cc1 748677942 WBQHTTHDSNWKMT-CYBMUJFWSA-N 437.849 5.146 30 20 IKED CC(C)Oc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)cs2)cc1 749337549 FKFIWBWVEVANKO-GOSISDBHSA-N 439.924 5.212 30 20 IKED Cc1nc(C(=O)O[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)nn1-c1ccc(F)cc1 750217209 MGPIZCOZRPEVMD-HNNXBMFYSA-N 447.310 5.194 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCc3ccc(OC)cc3OC)n2)cc1 754531961 ZKIUSQDRUAQDCJ-FQEVSTJZSA-N 436.533 5.035 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)cc1 755774547 DDJBSOHINKMBNQ-NHCUHLMSSA-N 432.474 5.021 30 20 IKED C=CC(=O)Nc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1F 758280898 OQCDPFQHLDWSBN-UHFFFAOYSA-N 431.492 5.366 30 20 IKED C[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nc(-c2ccccc2)no1 760738703 ZQUZAKCEZOEJRO-FDDCHVKYSA-N 437.503 5.317 30 20 IKED CC(=O)N(c1nc(/C=C2\Cc3ccc(Cl)cc3C2=O)cs1)c1ccc(F)cc1F 762448708 XXSUCFXWYOIUCM-NTUHNPAUSA-N 430.863 5.582 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(Cl)nc1C(F)(F)F 766400929 WFLZWIGPBVILLT-JIGDXULJSA-N 442.709 5.393 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc2cc(Br)ccc2c1 772972599 UOGNXMRTCPHRMN-MRXNPFEDSA-N 427.685 5.217 30 20 IKED Cc1nn(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1-c1ccccc1 774056125 RRVOSVXWHIHLGM-IBGZPJMESA-N 432.936 5.512 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(C(=O)C(F)(F)F)CC1 775562598 PXXCXNVDSKORAW-UHFFFAOYSA-N 431.414 5.034 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@@H](C#N)C(=O)NCc3ccccc3)c3ccccc3n2)c(C)c1 780305139 DCMXXQVJIJXGLT-XMMPIXPASA-N 433.511 5.158 30 20 IKED CC(C)S[C@@H]1CCCC[C@@H]1OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 781498800 QPJSSDYVJYTRPS-AZUAARDMSA-N 443.569 5.019 30 20 IKED CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 782708398 LQEMSQJFJXCLIV-YTFSRNRJSA-N 448.567 5.299 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)[C@H](C#N)C(=O)NCc2cccc(Cl)c2)c1 786536557 OOONUCVRPYEFCU-QFIPXVFZSA-N 432.907 5.045 30 20 IKED C[C@@H](NC(=O)[C@H](C#N)C(=O)c1csc(Br)c1)c1ccc(Cl)cc1Cl 787051241 HLXUHQXWFMVODR-PRHODGIISA-N 446.153 5.017 30 20 IKED COc1cccc([C@H](C)CCCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 789404248 RBTNJTFHCOCLKW-KDOFPFPSSA-N 433.335 5.623 30 20 IKED N#CCCn1cc(CNc2ccc(OCc3ccccc3F)cc2)c(-c2ccncc2)n1 789747289 NSVRLNKJCVMEIT-UHFFFAOYSA-N 427.483 5.189 30 20 IKED O=C(C[C@H]1SC(=Nc2ccsc2)N(Cc2ccsc2)C1=O)Nc1ccccc1F 790734816 CZDNBLNAFGLWSQ-QGZVFWFLSA-N 445.566 5.109 30 20 IKED O=C(C[C@H]1CCC(F)(F)C1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 797990736 KIIHFDZHVLTNRI-ABAIWWIYSA-N 445.350 5.450 30 20 IKED C#CCNC(=S)/C(=C(/O)c1cccc(Cl)c1Cl)[n+]1ccc(C(CC)CC)cc1 802707541 ATBHOFGKWGHLIF-UHFFFAOYSA-O 434.412 5.619 30 20 IKED COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1cc(C#N)ccc1Cl)c1ccccc1 803835150 FNHGBIOMBHJTRZ-JOCHJYFZSA-N 434.879 5.066 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 806264833 HYMRBUCDHQNKTP-HYBUGGRVSA-N 445.588 5.849 30 20 IKED O=C(/C=C\c1cc(C(F)(F)F)ccc1Br)c1ccc(C(F)(F)F)nc1O 811688068 MNBUIBKBZVOGHX-KTAJNNJTSA-N 440.137 5.483 30 20 IKED Cc1cc(SCC(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c(C)cc1Br 813219221 YBOCILLRHASRLF-ZDUSSCGKSA-N 443.288 5.448 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(C#Cc2ccccc2)cc1 916928868 WOTWOQFQPMLTEW-HXUWFJFHSA-N 433.294 5.354 30 20 IKED Cc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916995743 GYSQJKLOIGJDHT-QGZVFWFLSA-N 443.355 6.265 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 917043004 FPSCUKHWEREONV-INIZCTEOSA-N 437.977 6.109 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(F)c(Cl)c2)cs1 917560273 KJORQJORABSBOF-WEVVVXLNSA-N 435.307 6.170 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@H]2Cc2ccc(F)cc2)c1=S 917617627 NCSIEFPKISWVCR-HXUWFJFHSA-N 438.572 5.079 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1SC(=Nc2cccc(C(C)C)c2)NC1=O 917636174 RAXZBHMVVMQYPH-IBGZPJMESA-N 445.972 5.028 30 20 IKED N#Cc1cccc(COc2cccc(NCC(=O)Nc3ccccc3SC(F)F)c2)c1 917810991 NKTJWIKWVNWUSS-UHFFFAOYSA-N 439.487 5.503 30 20 IKED N#C[C@H](C(=O)C1(c2cccc(F)c2)CCCC1)c1nc(-c2c(F)cccc2F)cs1 920804241 MUCWTSHTKIFNMJ-MRXNPFEDSA-N 426.463 5.916 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(C)ccc4[nH]3)CCC2)cc1 1790568251 PPZJUKQOWWZCLF-SFHVURJKSA-N 446.551 5.025 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnc4cc(C)ccn34)cc2)CCC1 1790972723 URFFJMBTSMMTAF-JOCHJYFZSA-N 442.563 5.159 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@H]4Sc5ccccc5[C@H]43)CCC2)cc1 1791249742 ABQKTUAKPJIXOU-KKPKCPPISA-N 432.589 5.221 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C23CCC(CC2)CC3)[C@@H]1c1cccnc1 1813563386 ADHUHHMFNQCLRJ-CURCQILKSA-N 437.628 5.050 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3sccc3[nH]2)[nH]n1 1814829226 PBJVOFUOZRZQIG-LJQANCHMSA-N 437.569 5.027 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2F)[nH]n1 1819301758 QXLKTTDBBSABGF-JXFKEZNVSA-N 444.938 5.277 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ccn(C)c23)[nH]n1 1819554870 RZMDAMGNZFJISX-OAQYLSRUSA-N 447.583 5.200 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3occ(Cl)c3c2)n[nH]1 1820232037 HOFKYLZAUMFWTH-KUHUBIRLSA-N 440.931 5.327 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ncccc23)CC1 1828025955 DMLYIJCKCGSROX-SANMLTNESA-N 445.607 5.237 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)ccc2C)CC1 1828827125 IHOWLVULAJRRDE-ILBGXUMGSA-N 438.612 5.005 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3[nH]ccc3s2)CC1 1828828286 HCTQJLWFTYIHNT-FPOVZHCZSA-N 439.625 5.231 30 20 IKED CCC[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](C)ON=C(C)C)CC2)CC1 1830419140 KOPCHMFQGSVLIX-KOVSNXQUSA-N 447.664 5.014 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3occ(Cl)c3c2)CC1 1831375165 OASKADOORMIYBD-HTAPYJJXSA-N 442.987 5.532 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccccc2OC)cc1 10118322 OIJWIDYCKJQFHW-UHFFFAOYSA-O 445.608 5.475 30 20 IKED Cc1ccccc1N/C(S)=C(/C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(C(C)(C)C)cc1 11168443 WXWRNWVMVHVRDG-UHFFFAOYSA-O 443.636 6.120 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccccc2Cl)cc1 23603994 LCYJBSDCTQKVFJ-UHFFFAOYSA-O 426.993 5.576 30 20 IKED CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(C2CC2)nc(SC)c1C#N 26983970 VFEYPIARQSVVDT-HUUCEWRRSA-N 437.565 5.250 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 60347577 NGOWLTPXIXPRED-UHFFFAOYSA-N 428.488 5.046 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(OCC(F)(F)F)nc2)cc1 60689706 KSCVCTOGEMKKQF-UHFFFAOYSA-N 443.450 5.439 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1CN1CCc2ccccc21 63392918 ARNSMHXQFCSIRT-UHFFFAOYSA-N 442.519 5.378 30 20 IKED CCOC(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 65028779 KSCGATJXRQYBOM-UHFFFAOYSA-N 431.467 5.108 30 20 IKED C=CCc1cc(C(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)cc(OC)c1OC 106116618 SMRHSKSHFKPPQO-UHFFFAOYSA-N 440.540 5.052 30 20 IKED C=C1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)CC1 111073111 DMAYVPIWMWSZKU-UHFFFAOYSA-N 426.495 5.078 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)nnc1-c1ccccc1F 195569454 SNZGTMHRYZHRMX-DLBZAZTESA-N 438.572 5.903 30 20 IKED C=C(C)CSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1ccc(Cl)c(OC)c1 210630580 KTAPXKIOWMWMFP-YBFXNURJSA-N 428.941 5.410 30 20 IKED N#CCCn1cc(C(=O)CSc2nn(-c3ccccc3)c(=S)s2)c2ccccc21 255929651 JRUVBPOPJAPADU-UHFFFAOYSA-N 436.587 5.507 30 20 IKED N#Cc1ccc(Sc2nnc(Cc3cccs3)n2CCc2ccccc2)c([N+](=O)[O-])c1 302911496 CDDVNNHHGPZHEH-UHFFFAOYSA-N 447.545 5.104 30 20 IKED Fc1ccc(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)c(OCC(F)(F)F)c1 303581920 KNOKZSSUUMDALJ-UHFFFAOYSA-N 435.299 5.448 30 20 IKED CO[C@H](C)c1nc(C)c(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)s1 429340345 UVYPHNVFAZIFDL-VGJAHHAASA-N 441.622 5.573 30 20 IKED CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)Nc1ccccc1SC[C@H](C)C#N 438076141 SSPHRNWGBBJQJX-IRLDBZIGSA-N 436.625 5.314 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)Nc1ccc(OC2CCCCC2)cc1 440883719 DFBORCJYRAOVNF-QGZVFWFLSA-N 437.565 5.370 30 20 IKED COc1c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)sc(C)c1Br 442693529 PLBLRCPABGXOMR-SECBINFHSA-N 441.759 5.581 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 445177585 HBKICJNCJKJGMZ-UHFFFAOYSA-N 444.266 5.335 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(-c2nc(-c3ccoc3)no2)c1 445455806 GKRRUSZIFMRAFU-UHFFFAOYSA-N 441.896 5.031 30 20 IKED CC(C)(C#N)CC(=O)N(C[C@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 447198149 FBWUQCORGUIUIS-CQSZACIVSA-N 438.380 5.569 30 20 IKED C=C(C)Cn1c(CCc2ccco2)nnc1N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 460549669 GJAFZOIGJKNVKE-UHFFFAOYSA-N 443.551 5.016 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC2(CCOCC2)CC1 460553580 HZIAFRLHZLXAFJ-SFHVURJKSA-N 430.980 5.045 30 20 IKED CC(C)CCN(CCC#N)c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1Cc1cccs1 461505737 GONFCUYFGFPHMP-GOTSBHOMSA-N 449.624 5.399 30 20 IKED CCCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 461524486 OSHLYIKOQNRWJA-UQBPGWFLSA-N 431.511 5.196 30 20 IKED Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 464474129 JNSSWBSOAKTZJG-LBPRGKRZSA-N 440.208 5.861 30 20 IKED N#CCCCOc1cccnc1NC(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 466599405 URSRTNBYRWAKDI-OAQYLSRUSA-N 428.492 5.076 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)nnc1-c1ccoc1C 466607106 CNPSULYNXPNQSD-CYBMUJFWSA-N 427.917 5.589 30 20 IKED C[C@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccc(-c2ccncc2)cc1 470016914 GYBDDWUJPQKDTD-FQEVSTJZSA-N 433.511 5.690 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 472441535 YRMJWOINKUNIPS-DQXHVOOISA-N 426.516 5.223 30 20 IKED Cc1ccc(C)c([C@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 474736411 CKHVMWOHAQSFCW-HHHXNRCGSA-N 439.559 6.318 30 20 IKED CN(C)Cc1ccc(-c2ccccc2CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1 479417000 VTDSAPSSMNGFQV-UHFFFAOYSA-N 429.539 5.020 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1csc(-c2ccsc2)n1 481364954 BMEUAHXBTIRZKW-UHFFFAOYSA-N 440.619 5.829 30 20 IKED CC(C)[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1nc(C2CC2)no1 481690053 YFWJVLBOVSILJX-OAQYLSRUSA-N 449.486 5.056 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCCC1CCN(CC(F)(F)F)CC1 482341107 AWZJHSJHCLEVAD-UHFFFAOYSA-N 447.526 5.104 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482397990 CSRGHYJHDWBFGU-GOSISDBHSA-N 441.400 5.383 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)SCC(=O)N3)cc1Cl 485706924 CDGFHLVXOIKFDI-GOSISDBHSA-N 433.920 5.292 30 20 IKED CCCN(CCC)C(=O)c1cccc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)c1 486586989 NMUCOMYICJHRDS-UHFFFAOYSA-N 435.612 5.273 30 20 IKED COc1cc(C[S@](=O)Cc2cc3ccccc3o2)ccc1OCc1cccc(C#N)c1 486601243 LYPWOWPQJDXOCX-HKBQPEDESA-N 431.513 5.341 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ncc(Cc2ccccc2Cl)s1 487709205 CKNBDIHXUKJCRO-UHFFFAOYSA-N 441.940 5.065 30 20 IKED C=CCn1c(SCc2csc(COc3ccc(F)cc3)n2)nnc1-c1cccs1 489407075 QCIDIUZDXSMOHB-UHFFFAOYSA-N 444.582 5.660 30 20 IKED Cc1cccc([C@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C(C)(C)C)c1 490477984 RQXSPKJSTJELCO-QHCPKHFHSA-N 432.568 5.014 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1OC 490627231 NTLZYTUGPNGOJW-UHFFFAOYSA-N 428.488 5.157 30 20 IKED CCc1ccc([C@H](Nc2cccc(OCCCC#N)c2)c2cccc(S(C)(=O)=O)c2)cc1 494948693 JOYQUMURZJGOTB-SANMLTNESA-N 448.588 5.537 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCCC[C@H]3C(F)F)s2)c(C(F)(F)F)c1 496383506 XDAUETQKAPFMNE-HNNXBMFYSA-N 444.429 5.276 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)nnc1-c1ccccc1OC 501579327 JCZFQWOSWXPOSI-ZDUSSCGKSA-N 446.935 5.052 30 20 IKED CCN(C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)[C@@H](c1ccc(C)cc1)c1cccnc1 503087004 RHSIZEINYIFQGO-SANMLTNESA-N 435.531 5.008 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)Cc1c(F)ccc(Br)c1F 503352465 CKOKSYUQYQSBQH-LLVKDONJSA-N 425.298 5.160 30 20 IKED C=C(C)COc1cccc(NC(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2C)c1 503387057 NUCBXAMNZUFDRX-XMMPIXPASA-N 426.520 5.439 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C 504690986 DRRJGBAHHVKZMI-CQSZACIVSA-N 432.952 5.494 30 20 IKED Cc1sc(NC(=O)CSCc2ccc(C#N)cc2)nc1-c1c(F)cc(F)cc1F 504750467 MQRNCLNJHIBXMU-UHFFFAOYSA-N 433.480 5.279 30 20 IKED COCC[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccc(Cl)c(Cl)c1 505040646 WEEJRHNKVLQWIX-NRFANRHFSA-N 432.351 5.317 30 20 IKED O=C(Nc1ccccc1CCC(F)(F)F)N[C@@H](c1c(F)cccc1F)C(F)(F)F 506734631 DXIXTYGEVYVEIY-HNNXBMFYSA-N 426.307 5.885 30 20 IKED CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1 507667434 VLAZEWONCHAORL-DEOSSOPVSA-N 433.571 5.575 30 20 IKED Cc1nc(COc2ccccc2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cs1 507906818 DEYAXTOAGOJYEX-UHFFFAOYSA-N 441.512 5.947 30 20 IKED CCN(C[C@@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2 509724831 PUWKORYBOOVYNC-LSPINASFSA-N 439.515 5.072 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H](C)c2ccc3n[nH]cc3c2)cc1OCC 513022912 ZUPOBHDYIRDHMQ-AWEZNQCLSA-N 430.346 5.140 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)N(C)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 513369225 DEMULAXQZHQQGC-OAHLLOKOSA-N 441.409 5.195 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)CCCC(=O)c3ccc(Cl)c(Cl)c3)CC2)c1 513776510 HAGNQERYPXXDHR-UHFFFAOYSA-N 445.346 5.288 30 20 IKED COc1ccc([C@@H](NC(=O)NCCSCc2ccccc2C#N)c2ccc(F)cc2)cc1 517771009 BKAXESOGVDXBML-DEOSSOPVSA-N 449.551 5.028 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 518737604 CBSGRKBNPIMKOB-SFHVURJKSA-N 443.503 5.259 30 20 IKED COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)ccc1OC(F)F 519432934 IAVMISYGZGKTNV-UHFFFAOYSA-N 446.397 5.573 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)cc1 521322886 PKJOTUYTZJJQBO-DHLKQENFSA-N 428.557 5.358 30 20 IKED COc1ccc(F)cc1-c1csc(NC(=O)CCCCOc2cccc(C#N)c2)n1 521951456 BQEQJVGIHYEYEI-UHFFFAOYSA-N 425.485 5.017 30 20 IKED Cc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 523707616 MJHAEAXHBTUDRE-VWLOTQADSA-N 439.559 5.879 30 20 IKED CC(=O)c1ccc2c(c1)CCN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1C)CC2 534476644 AZWBVLORPJWWBL-UHFFFAOYSA-N 439.515 5.494 30 20 IKED CC(=O)N(c1nc(CN(CC(C)C)c2ccc(C#N)cc2)cs1)c1ccc(C)cc1C 535205064 HHLAVITWZSQLAL-UHFFFAOYSA-N 432.593 5.979 30 20 IKED C=CC1CCN(Cc2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)c(OC)c2)CC1 536672105 IZOBDCNMOLONTO-UHFFFAOYSA-N 448.485 5.130 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)nn1-c1ccc(Cl)cc1Cl 537383998 OTJRSRSLOHJSCT-ZDUSSCGKSA-N 439.224 5.391 30 20 IKED CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N(Cc1ccc(C#N)cc1)C(C)C 539209283 ZFQQTNVSRVUNQF-IIBYNOLFSA-N 444.373 5.017 30 20 IKED Cc1ccccc1OCCCC(=O)Nc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 540596663 VGLCNFGCBHVQIR-OAQYLSRUSA-N 427.548 5.515 30 20 IKED C[C@H](N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)Nc1ccccc1OC(F)F 541075825 QDIUMXLZSSQUIZ-IRXDYDNUSA-N 435.474 5.504 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(C(F)F)c2Cl)cc1 542724709 ZHUHVGTWEHQYNW-UHFFFAOYSA-N 443.856 6.523 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCC[C@H]2c2ccc(Br)s2)c1 543228257 VHUCEWQVOJMRBT-KRWDZBQOSA-N 433.371 5.295 30 20 IKED CCS(=O)(=O)c1ccc2oc(CN[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)nc2c1 543874827 SCTFZHYTYYZRKI-KRWDZBQOSA-N 445.544 5.011 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1[C@H]2CC[C@H]1CC(c1ccnn1C)C2 548970202 DMEUYRUKWHWWPL-SFTDATJTSA-N 441.535 5.335 30 20 IKED C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(OC2CCCC2)CC1 549279970 PEMAFIJVOSYHNL-UHFFFAOYSA-N 430.980 5.015 30 20 IKED COc1ccc2cc([C@H](C)C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)ccc2c1 550200944 CBPRWGBIGAFMFL-AWEZNQCLSA-N 428.410 5.403 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 554146710 CUBKTWSWHCEVLP-UHFFFAOYSA-N 437.588 5.090 30 20 IKED CC1(C#N)CCN(c2nnc(-c3cccc(C(F)(F)F)c3)n2Cc2ccccc2)CC1 555177119 CGPFIRSKXDHIPF-UHFFFAOYSA-N 425.458 5.142 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C 557606692 GXOIZFVZEIGUEC-UHFFFAOYSA-N 445.489 5.400 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1c(Br)cccc1SCC 568334074 SATLOSPAICXZBU-UHFFFAOYSA-N 439.375 5.257 30 20 IKED C=C(C)COc1cccc(NC(=O)NCC2(c3cc(Cl)ccc3OC)CCOCC2)c1 589739924 BWDVFYHRUVTIHS-UHFFFAOYSA-N 444.959 5.173 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@H](C#N)c3nc4ccccc4o3)c2)cc1 589830776 UFRNLRXOWFUVKN-QHCPKHFHSA-N 438.483 5.418 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12 603511199 AQLQLFNTVLIMMB-UHFFFAOYSA-N 429.470 5.576 30 20 IKED CCOc1ccc(OCCCC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 603995539 JWJBXTXKKOFPEO-UHFFFAOYSA-N 443.503 5.007 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cccc2ccccc12 604463889 ZCBYOOOHBAQTNA-SFHVURJKSA-N 435.483 5.320 30 20 IKED O=C(Nc1ccc(F)cc1F)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 606157295 DNNOEKREJIGHJK-UHFFFAOYSA-N 429.263 5.099 30 20 IKED CCN(Cc1c(F)cccc1F)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609079893 MZTUIQIWHALZGH-UHFFFAOYSA-N 435.474 5.778 30 20 IKED CCc1c(-c2ccncc2)n[nH]c1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 609307802 DNBSUGFLKHKQFS-UHFFFAOYSA-N 427.439 5.089 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H](c2cc3ccccc3[nH]2)C1 609385108 PBZVHHLSLRWUPI-ICSRJNTNSA-N 432.593 5.238 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(Oc2ccc(F)cc2F)CC1 609398759 OBPGTTMPUIIKPG-HNNXBMFYSA-N 431.508 5.292 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccc(Oc2ccccc2)cc1 609406497 TZEFRVGGEYLBKS-GOSISDBHSA-N 445.544 5.301 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CN2CCC(c3c[nH]c4cc(F)ccc34)CC2)c1C 609540729 USFHOURYYLUWIF-UHFFFAOYSA-N 432.543 5.050 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)c1 609600737 RAGXZHWNKDUIPJ-UHFFFAOYSA-N 428.464 5.339 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(CCc1ccc(Cl)cc1)CC1CC1 609744762 ZQJFUYSHZNPMKJ-QGZVFWFLSA-N 428.001 6.221 30 20 IKED Cc1occc1-c1nnc(SCc2nnc(-c3cccc(C#N)c3)o2)n1-c1ccccc1 610219429 URJPCHXYTBWEQV-UHFFFAOYSA-N 440.488 5.050 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H](c3cccc(F)c3)c3ccccn3)cn2)c1 611225989 UEWFWLLPMFWGRA-DEOSSOPVSA-N 439.450 5.191 30 20 IKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccsc2)nnc1-c1ccc(Cl)cc1 611859611 XNVXHYACWXRUIU-SFHVURJKSA-N 445.013 5.302 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)N1CCC[C@@](C)(C#N)C1 612130263 ZANYVUKZFIVILF-VLIAUNLRSA-N 447.402 5.277 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)C2CCCCC2)nnc1-c1ccncc1 613905151 AJVBWKKXSLHPQJ-QHCPKHFHSA-N 447.608 5.056 30 20 IKED N#Cc1cc([N+](=O)[O-])ccc1Sc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 619694585 HOSSYQVVDMOSAU-UHFFFAOYSA-N 447.907 5.578 30 20 IKED C=CCn1c(SCc2nc(O)c3ccc(C(F)(F)F)cc3n2)nnc1-c1cccs1 676073394 BXPDCJHFKAHVSS-UHFFFAOYSA-N 449.483 5.153 30 20 IKED CC1(C)C(=O)Nc2ccc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc21 676104171 VYZDBKKYMYAORN-LBPRGKRZSA-N 429.423 5.035 30 20 IKED C=CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 685551860 MVATZJPQVPMQHA-OAHLLOKOSA-N 431.359 5.002 30 20 IKED O=C(c1c(F)cc(C(F)(F)F)cc1F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 685637334 HJZBPFOXXLBPEZ-YUMQZZPRSA-N 429.229 5.187 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)NCc2ccc(OCC#N)cc2)c(C(F)(F)F)c1 727936006 FWVSVWSMFIMBPU-AWEZNQCLSA-N 437.487 5.820 30 20 IKED Cc1nnc(SCc2c(C(=O)OCc3ccc(F)cc3C#N)oc3ccccc23)s1 728625909 KWONJNAFBZDHCW-UHFFFAOYSA-N 439.493 5.253 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3Cl)n2)cc1 730692490 YXWUESRNAKBCOL-OKZBNKHCSA-N 443.355 6.105 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc(C)c1OC(F)F 730920559 OAYRVSHHXJELLU-ZDUSSCGKSA-N 427.234 5.173 30 20 IKED Cc1sc(=O)n(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1-c1ccc(F)cc1 731332493 MMLKBVBTWCWCFD-AWEZNQCLSA-N 441.553 5.057 30 20 IKED CC(C)(C)OC(=O)NCc1nc(C(=O)OCc2ccc(-c3ccccc3C#N)cc2)cs1 732866979 HJJAYGAAPYSLOV-UHFFFAOYSA-N 449.532 5.063 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(C)Cc2ccc(Cl)cc2Cl)ccc1OC 733655039 WDBVWNWXIGATJQ-KRWDZBQOSA-N 436.339 5.025 30 20 IKED O=C(Nc1ccccc1SC(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 735365450 LBXSHSYVUDRPDC-UHFFFAOYSA-N 426.304 5.647 30 20 IKED CCOc1ccc(Cl)cc1C(=O)/C=C/c1csc(N(C(C)=O)c2ccc(F)cc2)n1 735978861 NEKITLDHOHUAMP-JXMROGBWSA-N 444.915 5.915 30 20 IKED CCn1c(SCC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)nc2ccccc21 739599661 OENNDACSFJEZPD-UHFFFAOYSA-N 432.574 5.065 30 20 IKED CSc1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 741111545 RFACYRFTZMRQEK-NHYWBVRUSA-N 436.480 5.681 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 741636069 DMYGXPFSTWEYRD-UHFFFAOYSA-N 434.414 5.161 30 20 IKED C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 743998685 ALNLACNOOWVBEF-UHFFFAOYSA-N 426.900 5.069 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2cc([N+](=O)[O-])ccc2C)cs1 747062060 SALJIUHVKZWJIF-UHFFFAOYSA-N 429.889 5.144 30 20 IKED O=C(/C=C/c1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc(N2CCOC2=O)cc1 748584641 RFCZEPBGKYDYPK-PKNBQFBNSA-N 427.378 5.818 30 20 IKED C[C@@H](C[C@H](O)c1cccs1)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 752189293 QPPQMMMQPQCYLG-JTSKRJEESA-N 435.549 5.027 30 20 IKED COc1cccc(CC2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)c1 752485849 RSIORWDKGWOGQX-MHZLTWQESA-N 439.559 5.837 30 20 IKED O=C(CCC(=O)c1ccc2ccccc2c1)OCC(F)(F)C(F)(F)C(F)(F)C(F)F 764750083 KNMNIMMIENAEBY-UHFFFAOYSA-N 442.302 5.517 30 20 IKED Cc1cc(Br)cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1 766840023 GITFGWNGMRYMFO-HNNXBMFYSA-N 439.281 5.033 30 20 IKED N#Cc1cccc([C@@H]2CN(Cc3cccc(NC(=O)c4ccc(Cl)cc4)c3)CCO2)c1 770392725 UXUWLRHKQNXJCE-DEOSSOPVSA-N 431.923 5.037 30 20 IKED O=C1CSc2sc(C(=O)/C=C/c3nc4ccc(Br)cc4s3)cc2N1 773144045 UWLRDNQSHMEOAJ-ONEGZZNKSA-N 437.365 5.061 30 20 IKED COc1cc(C2SCCS2)ccc1OC(=O)c1cn(CCCC#N)c2ccccc12 774041936 AEHIDYVFNYTTQE-UHFFFAOYSA-N 438.574 5.651 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCc3[nH]c4ccccc4c3C2=O)cs1 781551479 JVOWRSZHLVMSBB-GHRIWEEISA-N 427.529 5.830 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2cc3c4ccccc4n(C)c3s2)c1C#N 782227504 NFJQASIAMIXPSW-UHFFFAOYSA-N 443.557 5.425 30 20 IKED N#CCOc1ccc(CNC(=O)c2ccc(-c3ccc(Br)s3)s2)cc1 782549226 PATSNGILNYXBIV-UHFFFAOYSA-N 433.352 5.071 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H](c2ccc(Br)s2)C2CC2)ccc1OC 784042147 GZFDIIJOUYYXDG-YWZLYKJASA-N 435.387 5.441 30 20 IKED CC[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(C)(C)c1ccccc1 784980177 GFKSOAJDTCPJNV-DQEYMECFSA-N 439.559 5.153 30 20 IKED Cc1nc2cc(C(=O)O[C@H](C#N)Cc3ccc(F)cc3F)ccc2n1Cc1ccsc1 788372151 DPGHTIKGQLNZLL-IBGZPJMESA-N 437.471 5.024 30 20 IKED COc1ccccc1-c1ncc(/C=C2/Cc3c(Cl)cc(Br)cc3C2=O)cn1 792885632 HPZWIWONLUZHES-MLPAPPSSSA-N 441.712 5.391 30 20 IKED CC(C)(C)c1cnc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)o1 805856816 CNKHDMBGJXYWSE-AWEZNQCLSA-N 448.375 6.211 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H](NCc1ccc(C#N)cc1F)CC(C)(C)O2 810175050 DPSXXQBQDOVALZ-FQEVSTJZSA-N 425.504 5.436 30 20 IKED N#CCCCN1C(=O)CCc2cc(NCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])ccc21 811493429 HFBIGPXUJRGCIM-UHFFFAOYSA-N 433.295 5.097 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC([C@@H](O)c2ccc(OCC)cc2)CC1 812966274 OGOYCPKGMIVGKS-SANMLTNESA-N 436.596 5.915 30 20 IKED Cc1cc(C(C)(C)C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)ccc1Br 813078758 QQVRMNPURYKFGX-UHFFFAOYSA-N 436.693 5.107 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1NC(=O)C1CC1 815341070 YZGUHZRIVBTYGQ-UHFFFAOYSA-N 425.488 5.047 30 20 IKED C[C@H]1CCCCN1C(=O)c1ccc(NCc2cc(C#N)ccc2Br)cc1Cl 864006789 ZAUKBCRXSHRWIS-AWEZNQCLSA-N 446.776 5.601 30 20 IKED N#Cc1ccc(Br)c(CNc2cccc(C[S@@](=O)C3CCCCC3)c2)c1 864011380 DEDOATBRMJPSMI-AREMUKBSSA-N 431.399 5.514 30 20 IKED O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNc1ccc(OC(F)F)cc1OC(F)F 864025955 SGTWWTRMEAYQCG-UHFFFAOYSA-N 428.260 5.429 30 20 IKED CC(=NNc1ncnc2sc(-c3ccccc3)cc12)c1ccc(NC(=O)NC2CC2)cc1 915047807 BWGGNFBJNQQPDW-UHFFFAOYSA-N 442.548 5.478 30 20 IKED CC(=NNc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)c1sccc1Br 915048125 PNVLJOUZHADWTG-UHFFFAOYSA-N 449.395 5.488 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cc(-c4ccccn4)nc4ccccc34)cn2)c1 915198735 VKSCZFFGJRODGX-UHFFFAOYSA-N 443.466 5.608 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 916074685 VXDRNNWTEKHKMF-UHFFFAOYSA-N 430.464 5.345 30 20 IKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(C3CCCC3)C2=O)cc1 916211648 DZSLWVVSQBMWQJ-QFIPXVFZSA-N 449.576 5.101 30 20 IKED N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 916893593 DZLFYCFYDBBYNZ-HXUWFJFHSA-N 430.426 5.269 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@H](C)Sc1ccccc1Cl 916899661 LAJJJHWSZKZEJA-QWHCGFSZSA-N 437.348 5.139 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)Nc1ccc(F)c(Cl)c1 916936754 UZELXXYPXTXYNP-CQSZACIVSA-N 448.306 5.146 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ncc(-c3ccccc3F)o2)cc1 916955953 VZNGJCKYHFQCAI-OXJNMPFZSA-N 433.483 5.274 30 20 IKED N#C[C@@H](C(=O)CNC(=O)Nc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995957 IYCWPYJDSIGCJZ-HNNXBMFYSA-N 445.331 5.115 30 20 IKED Cc1cc(O[C@H](C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1Cl 917042917 IAJNBJTYZFXLHU-RISCZKNCSA-N 438.858 5.921 30 20 IKED N#C[C@H](C(=O)CCn1cc(Cl)cn1)c1nc(-c2ccc(Cl)cc2Cl)cs1 917430958 JRTCLSHPWKUKQV-CYBMUJFWSA-N 425.728 5.233 30 20 IKED CC(C)c1ccc(N(C(=O)COc2cccc(C#N)c2)c2nc3ccccc3s2)cc1 918543105 CTMLANFCUCSWAN-UHFFFAOYSA-N 427.529 6.035 30 20 IKED Cc1ccc(-c2nc(CC(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cs2)o1 920143524 XDHYCVVISORVMV-KRWDZBQOSA-N 430.514 5.126 30 20 IKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)CCC1 1785786402 QASPWAITOMWEGZ-QFIPXVFZSA-N 449.576 5.044 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3c(OC)cccc3OC)cc2)CCC1 1790236879 DWFBTGAKRPQFFN-OAQYLSRUSA-N 448.563 5.220 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4nc(C)sc34)CCC2)cc1 1791247657 DSKDEOJVTJGFTB-INIZCTEOSA-N 433.577 5.565 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2CCC[C@H]4CCCC[C@H]42)C3)c1 1803681790 YLXLMQJHNQDXPI-DWDZDOEPSA-N 447.623 5.172 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(C)(C)C)nc2)[nH]n1 1814825131 QNJPBLLBMAYBRY-NRFANRHFSA-N 449.599 5.177 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccccc2C)n[nH]1 1822057620 GHFXGARCEHJCMA-JTHBVZDNSA-N 434.584 5.111 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cnc2Cl)CC1 1828823861 YDIMPHBOCRGIKW-UNMCSNQZSA-N 444.019 5.045 30 20 IKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 1831853038 IJVYZWAQUFKEDT-HHHXNRCGSA-N 442.603 5.390 30 20 IKED Cc1nc(SCC(=O)Nc2ccc(CC#N)cc2)c2cc(-c3ccccc3)sc2n1 20054123 ASXYRCRJGHHTGM-UHFFFAOYSA-N 430.558 5.464 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C(C)C)cc2)[n+]2ccc(CC)cc2)cc1 22728679 OURCRVLGXSDZQX-UHFFFAOYSA-O 447.624 6.110 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)c1nc(-c2cccs2)no1 26030358 HHKUCFJJYVMCPQ-CYBMUJFWSA-N 443.529 5.147 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C)cc1 60347587 ZOYMYHBRCVHGMS-UHFFFAOYSA-N 442.450 5.245 30 20 IKED N#CCCCOc1cccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)c1 207590513 LFKWZIALDWQGQW-QGOAFFKASA-N 442.903 5.349 30 20 IKED COc1ccc(C(=O)/C=C\c2cc(Br)c(OC(F)F)c(OC)c2)c(F)c1 221779129 CHNBKNNQDAGNGD-UTCJRWHESA-N 431.204 5.103 30 20 IKED C=C(C)COc1cc(CN[C@H](c2ccccc2)c2nc3ccccc3n2C)ccc1OC 237551848 NZUHVXHWWKWFNQ-AREMUKBSSA-N 427.548 5.416 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cc(-c2ccncc2)nc2ccccc12 247343919 BAAXHTKGLLJEDY-UHFFFAOYSA-N 431.417 5.097 30 20 IKED COc1ccc([C@@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)cc1Br 302768962 VBDOATLGWUCQEB-OAHLLOKOSA-N 435.321 5.487 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(N2CCCCCC2)nc1 303168683 IUZBOPCUQANNGQ-UHFFFAOYSA-N 440.547 5.473 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(OCc2cn3ccccc3n2)c1 303398061 QDSTWZIKUKQXSI-SFHVURJKSA-N 442.544 5.417 30 20 IKED N#CCCSc1ccccc1NC(=O)[C@H]1C[C@]12CCc1cc(Br)ccc12 409675242 IYFJLCLUAUSWGO-UTKZUKDTSA-N 427.367 5.297 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(OC[C@@H]2CCCCO2)CC1 429031426 UGQMWGMCYUQDGL-DEOSSOPVSA-N 449.551 5.241 30 20 IKED C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 437813319 BVRZRMYDAOJRST-VEXUSMLFSA-N 430.552 5.005 30 20 IKED CCCc1c(NC(=O)N(C)Cc2cc(Cl)ccc2OC)cnn1-c1cccc(C#N)c1 439673365 MYUZKNIFLFKOIT-UHFFFAOYSA-N 437.931 5.022 30 20 IKED COCCc1nc2cc(NC(=O)c3ccccc3Sc3ccccc3C#N)ccc2o1 439994575 JGCPXKIPZOVCEL-UHFFFAOYSA-N 429.501 5.292 30 20 IKED CCCc1c(NC(=O)c2ccc(Cl)cc2Br)cnn1-c1cccc(C#N)c1 440085719 CVEIQWNKVCRBQW-UHFFFAOYSA-N 443.732 5.365 30 20 IKED C=CCSc1ccccc1NC(=O)CN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 441065297 QZPCYRRLPXMXBX-AWEZNQCLSA-N 441.544 5.258 30 20 IKED C[C@@H]1CN(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)[C@@H]1c1ccccc1 442567700 CYNJILGOSFXJIA-UWSIMGETSA-N 443.934 5.154 30 20 IKED Cc1cnccc1OC1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 446167596 JEDBNWOEULLJCY-UHFFFAOYSA-N 428.492 5.129 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 448403990 APDUFOFSTWIYCA-CPJSRVTESA-N 430.552 5.140 30 20 IKED Cc1ccccc1[C@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@@H](C)CO1 460400891 BKRSIOPYLUTPIM-AVRWGWEMSA-N 430.479 5.400 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cc(Br)cc2c1OCC2 462264743 BTHNMWXIJWXFAI-ZDUSSCGKSA-N 446.370 5.100 30 20 IKED CC(C)Cc1ccc(C(=O)C2CCN(C(=O)Nc3ncccc3OCCCC#N)CC2)cc1 466592187 DFYHFZGIWAOHDV-UHFFFAOYSA-N 448.567 5.089 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@H](c3ccc(F)cc3)c3ccc(Cl)cc3)ccc21 469250531 NUYQEOBBSMCZNN-SANMLTNESA-N 447.941 6.264 30 20 IKED C[C@@H](O)C[C@@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1 469507840 CPOHLRAJQXKWPW-YKSBVNFPSA-N 443.547 5.008 30 20 IKED Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 470768810 FKZLWZOLTGFQNT-HXUWFJFHSA-N 435.549 5.171 30 20 IKED C[C@H](c1nc2ccccc2n1C(F)F)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 470995868 QEDLDWJHUKJRAL-QRWLVFNGSA-N 429.902 5.028 30 20 IKED C[C@@H](C#N)CSc1ccccc1N[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 471384183 XRVAHRJIOBMXGB-QWHCGFSZSA-N 433.364 6.468 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)CCCc2ccccc2)CC1 475547967 PQSHQXORIGUPTH-UHFFFAOYSA-N 433.596 5.238 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)Cc3nc(-c4ccc(F)cc4)cs3)s2)cc1 475995684 GDYUDBCLANWQSR-UHFFFAOYSA-N 434.521 5.049 30 20 IKED CS(=O)(=O)c1cccc([C@@H](NCc2ccc(Cl)cc2C#N)c2ccc(Cl)cc2)c1 478361259 LTEDCFSLXAHONF-QFIPXVFZSA-N 445.371 5.148 30 20 IKED C=C(C)Cn1c(SCc2nc(-c3c(F)cccc3F)cs2)nnc1-c1ccncc1 478858882 VRSTZCJPFKNTDO-UHFFFAOYSA-N 441.532 5.610 30 20 IKED C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 480306130 JOWIXYQWWZMSSY-UZLBHIALSA-N 431.458 5.526 30 20 IKED COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 480781224 UHWVJYLJVBABHN-UHFFFAOYSA-N 449.488 5.250 30 20 IKED Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 481712937 NIYVWHYURRYJBY-DEOSSOPVSA-N 429.495 5.954 30 20 IKED CCCN(CCC)C(=O)c1cccc(C(=O)N(Cc2ccco2)c2ccccc2C#N)c1 482462683 IHQRUDLAQVAWJO-UHFFFAOYSA-N 429.520 5.260 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1-c1nc(Cc2cncs2)no1 482731039 FCXIOSVRTDPGKU-UHFFFAOYSA-N 437.550 5.122 30 20 IKED N#Cc1ccc(NC(=O)N(CCC(F)(F)F)Cc2ccccc2)cc1Br 487930259 BTOQVHKAVQCRAV-UHFFFAOYSA-N 426.236 5.307 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccccn1 488911178 DVNVXUNQUNEWHZ-GOSISDBHSA-N 441.560 5.312 30 20 IKED Cn1nc(-c2cccc(C(F)(F)F)c2)cc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 492695816 KRRHBPUNVQBZPQ-UHFFFAOYSA-N 439.441 5.174 30 20 IKED COc1cccc(C[C@@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 497463669 DUUDPCKCOBRPEY-LJQANCHMSA-N 429.520 5.093 30 20 IKED CC(C)(CNC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(F)cc1Cl 497925115 AOERHMZEPYOMON-UHFFFAOYSA-N 426.875 5.230 30 20 IKED Cc1cc(-c2cc(C(=O)N[C@@H](C#N)c3ccccc3Cl)c3cnn(C(C)C)c3n2)c(C)o1 499946538 QTNCNUOJSYBTBZ-QFIPXVFZSA-N 447.926 5.537 30 20 IKED Cc1nc([C@@H]2CCCCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)no1 501100666 RCWUDKLOSWXREQ-QHCPKHFHSA-N 445.523 5.286 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cc(F)ccc3Br)c2)cc1 501453956 XDGZHXZDZYKYRG-UHFFFAOYSA-N 439.284 5.486 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c1C 501469597 VKLHBQYEDWNYKG-XMMPIXPASA-N 435.618 5.321 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2csc(-c3ccc(F)c(F)c3)n2)cc1 502978638 BXQHXALWVUEJDX-UHFFFAOYSA-N 437.393 5.165 30 20 IKED Cc1cc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CCC3)nn1CCC#N 504087624 OGQJBRJDJHZBFI-FBMGVBCBSA-N 437.503 5.376 30 20 IKED CC(C)(C)CN(Cc1ccccc1)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 504871829 WFSIGKDXFCGQJH-UHFFFAOYSA-N 446.551 5.098 30 20 IKED CCCCCn1c(SCC(=O)Nc2c(C#N)cnn2-c2ccccc2)nc2ccccc21 506656028 WKNGJYMPKLJCEE-UHFFFAOYSA-N 444.564 5.015 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ccc(OCC(F)(F)C(F)F)nc1 511494490 OTLNUCISZXUAOM-LLVKDONJSA-N 438.343 5.213 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c(-c2ccccc2Cl)noc1C 511575007 MBDSMWFXPCIWHY-UHFFFAOYSA-N 443.890 6.528 30 20 IKED COc1cc(CN(C(=O)c2ccccc2-c2ccccc2C#N)C2CC2)ccc1OC(F)F 512414412 FFPAFUAKWHPQDN-UHFFFAOYSA-N 448.469 5.640 30 20 IKED N#C[C@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)c1nc2ccccc2s1 513653238 DZGAWZVTBZKJHT-GOSISDBHSA-N 439.471 6.247 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1Oc1ncc(Cl)cc1Cl 515241955 OCHXAIFSOYMZKB-CYBMUJFWSA-N 428.275 5.458 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C)n(Cc2ccccn2)c1C 515828286 YGAYEUZXSRRLLC-UHFFFAOYSA-N 437.503 5.168 30 20 IKED CC(C)CC[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(Cl)cc1 516056063 XGEDKIWZRYVOFE-NRFANRHFSA-N 425.960 5.373 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2c(F)cc(F)cc2-c2ccccc2)c1 516780893 WYASOUPRHJQDFE-UHFFFAOYSA-N 440.449 6.335 30 20 IKED N#C[C@@H](NC(=O)CCCOc1cccc(Br)c1)c1cccc(C(F)(F)F)c1 517605323 RMYLWEGNJFMYFQ-QGZVFWFLSA-N 441.247 5.008 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 518034630 QTEHAJOJLUUMNZ-UHFFFAOYSA-N 437.474 5.900 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(-c4ccccc4)nc3C)n2)cc1 518516467 FCKOFLXEWOGPGF-SFHVURJKSA-N 431.542 5.741 30 20 IKED COc1cc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)ccc1OC1CCCC1 521420191 LUVHCGGCXWHHDP-LJQANCHMSA-N 435.568 5.569 30 20 IKED CCN(CC)CC1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 522640747 XAPYMKMUUMPBPD-UHFFFAOYSA-N 425.960 5.198 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)N[C@H](C)c2ccc(C#N)cc2)c1C 522779887 LRMJHYNBYZNQAP-CQSZACIVSA-N 428.323 5.550 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NC2(C#N)CCCCC2)c(OC)c1 522889378 IPZAMNBAEMLKKX-UHFFFAOYSA-N 431.536 5.127 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(-c4noc(C(F)(F)F)n4)cc3)c2)cc1 523149606 PLYCPWNQAUOOEU-UHFFFAOYSA-N 449.392 5.623 30 20 IKED Cc1ccc(-c2csc(NC(=O)c3occc3COc3cccc(C#N)c3)n2)c(C)c1 523228422 BVGGXZFTEXPEEE-UHFFFAOYSA-N 429.501 5.723 30 20 IKED C[S@@](=O)Cc1cc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)ccc1Cl 523725966 BIBVEBCISQPWJM-SSEXGKCCSA-N 442.899 5.274 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C 524249853 JOYBNURTZJTSED-UHFFFAOYSA-N 445.519 5.208 30 20 IKED CC1CCC(OC2CCN(CC(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)CC1 532958606 OPHLUHXOQUUDBI-IOJLRTSASA-N 429.630 5.079 30 20 IKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nc4ccccc4[nH]3)cc(-c3cccs3)nc21 540744101 HOPWFVYWWUJSJO-HNNXBMFYSA-N 426.505 5.107 30 20 IKED C[C@H](NC(=O)Cc1coc(-c2ccc(F)cc2)n1)c1ccc(-c2cccc(C#N)c2)cc1 541999149 OGHQAGUQORSNRW-KRWDZBQOSA-N 425.463 5.439 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 542003990 XMWYUSYICVOIQQ-UHFFFAOYSA-N 427.426 5.591 30 20 IKED C[C@@H](NC(=O)N(C)Cc1ccc(Br)o1)c1ccc(-c2cccc(C#N)c2)cc1 542088270 SXXBYWNGMRKOHS-OAHLLOKOSA-N 438.325 5.483 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)N(Cc1cccc(C(F)(F)F)c1)C(C)C 542419461 GAONFVGRRHHMGF-UHFFFAOYSA-N 435.446 5.045 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542931343 OOTZUZJCWRJJHM-HNNXBMFYSA-N 440.469 5.021 30 20 IKED COc1ccc(C(=O)CCC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC 542989227 NJNQVBZXDDEHOA-SFHVURJKSA-N 442.515 5.083 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(CN(C)Cc2ccccc2)c1 543279358 INKDGHDVTRGPQN-FQEVSTJZSA-N 429.589 5.965 30 20 IKED Cc1ccsc1[C@H](Cc1ccccc1)NCC(=O)Nc1ccccc1S[C@@H](C)CC#N 544416163 ZQLWTSFQNYEZLC-UGKGYDQZSA-N 449.645 5.963 30 20 IKED COc1cc(CSc2nc3ccccc3c(=O)n2-c2ccc(C#N)cc2)ccc1SC 553530637 OTPDHJFCYBHEOQ-UHFFFAOYSA-N 445.569 5.280 30 20 IKED C[C@@H](N[C@@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C)c1ccc(C#N)cc1Cl 555232769 MBWYLNXAXIYGJR-PBRBFHIESA-N 428.407 6.130 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(Cc2cccc3ccccc23)CC1 561408800 TZNNQJSBUCUFCD-HXUWFJFHSA-N 444.604 5.584 30 20 IKED CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(Br)cc1C#N 561462132 FCGVTELNSDNGAX-UHFFFAOYSA-N 443.370 5.112 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1 562141024 JXKOXDMMLRHIIG-DSNGMDLFSA-N 439.515 5.387 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1 562908309 VWKQJZHXFBGHOO-RBBKRZOGSA-N 436.625 5.505 30 20 IKED Cc1sc(C2(NC(=O)[C@@H](C)Oc3ccccc3C#N)CCC2)nc1-c1ccccc1F 563994922 IZACOWAPMCXOCN-OAHLLOKOSA-N 435.524 5.092 30 20 IKED CCO[C@H](c1noc([C@H]2CC[C@H](C(F)(F)F)C2)n1)c1ccc(F)cc1C(F)(F)F 566824826 XFFCADHJTPDVCI-BHDSKKPTSA-N 426.332 5.799 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3Cc4ccccc4C[C@@H]3c3ccccc3)cc2)ccn1 584261749 SFMRAMGWGCGSNQ-HHHXNRCGSA-N 446.510 6.077 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 590336782 QGWPQGZIFRPFCQ-YUMQZZPRSA-N 426.254 5.439 30 20 IKED C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1cccc(OCCCC#N)c1 603972121 XRTIYOPXUXOTGS-ZDUSSCGKSA-N 437.721 5.191 30 20 IKED Cc1cc(C)c2cc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)sc2n1 603995354 GMFMYKFETMFHEL-UHFFFAOYSA-N 426.501 5.289 30 20 IKED O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 605016574 IOIYUUXLRDCKNP-JQWIXIFHSA-N 434.302 5.088 30 20 IKED C[C@@H]1CN(Cc2ccc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)cc2)C[C@@H](C)O1 609177164 KPHHAWFTOYKHQT-WOJBJXKFSA-N 441.531 5.212 30 20 IKED COc1cccc(N2CC[C@@H](CNC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)C2)c1 609209827 PFEYLIGUNPAGQT-FQEVSTJZSA-N 442.519 5.007 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2nc3ccccc3s2)s1 609377911 RRVNOENCHYEBKF-AWEZNQCLSA-N 435.599 6.529 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 609435521 UEAIFMSGVRQBMZ-PGRDOPGGSA-N 443.572 6.393 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(NC(=O)c2ccccc2)c1 609438058 AMJNCDDIGMETPE-SFHVURJKSA-N 444.560 5.655 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 609556093 ZPGGUIWYGKNXPX-QHGAOEGBSA-N 434.565 5.464 30 20 IKED COC[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1cccc(C(F)(F)F)c1 609826024 JVKOTYIMXPPHCR-DEOSSOPVSA-N 440.465 5.633 30 20 IKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)N[C@@H](C)c3cccc(C#N)c3)c2)c1 610355503 SQDYFERBSAIHMY-SFHVURJKSA-N 427.508 5.071 30 20 IKED C=CCn1c(SCc2ccc(OC)c(OC)c2Br)nnc1-c1ccccc1 614501101 XAQMQUKIPMSENB-UHFFFAOYSA-N 446.370 5.203 30 20 IKED COc1cc(CN2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)ccc1C#N 619674477 FPZKXTWZOBKUIW-VWLOTQADSA-N 446.595 5.256 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cccnc1SCc1ccc(F)cc1 643140064 SNALYSFRICDWJB-UHFFFAOYSA-N 444.453 5.313 30 20 IKED O=C(N1CC2(CC(F)C2)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 677104100 FKVYAITWBLYKDS-PTAWQOSSSA-N 427.404 5.069 30 20 IKED Cc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cs2)n1C 677559437 KJPGLRBKBKBIAI-LBPRGKRZSA-N 446.479 5.576 30 20 IKED CC(C)Oc1ncc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1Cl 678325333 SCGHCKOGAIQPQF-LBPRGKRZSA-N 433.867 5.414 30 20 IKED Cc1nc2cc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)ccc2n1Cc1ccsc1 682670532 YWECOVKZRFCENQ-QGZVFWFLSA-N 446.532 5.693 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)CCCC3)[n+]2ccccc2CC)c1 726573245 SZICZIWUVKUIFR-UHFFFAOYSA-O 439.604 5.720 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccccc3C(F)(F)F)n2)cc1 727232509 MKHYQSCZWTYKNW-XJKSGUPXSA-N 446.450 5.481 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2CCC[C@H]2c2ccccc2C(F)(F)F)c1=S 728051289 WZRJJENJLGJIOR-IBGZPJMESA-N 445.514 5.475 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccccc1N(C)C(=O)C1CC1 731980173 ICWWNVQNXSKINS-UHFFFAOYSA-N 425.488 5.284 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)NC2(c3ccc(Cl)cc3)CCCC2)ccc1OC 733650346 YSPZZUCGAYHBGJ-HXUWFJFHSA-N 441.959 5.298 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F 734964728 ZOOGYBBPYVIVMY-KSZLIROESA-N 432.426 5.208 30 20 IKED CCc1cccc(C)c1NC(=O)COC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 735165288 FVSMTTQARFJBHA-UHFFFAOYSA-N 448.906 5.670 30 20 IKED COc1ccc(CN[C@@H](c2ccccc2)c2ccc(Br)cc2F)cc1C#N 742368476 BNPLYNTYACKVLZ-QFIPXVFZSA-N 425.301 5.348 30 20 IKED Cc1ccc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1NC(=O)OC(C)(C)C 742655382 MJXLSOKDVSBFKN-GOSISDBHSA-N 433.430 5.356 30 20 IKED CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1occc1COc1cccc(C#N)c1 744926234 ARYXPUUREVUAJI-ROUUACIJSA-N 446.503 5.428 30 20 IKED O=C(/C=C\c1ccc(-c2ccc(Br)cc2)o1)c1cccc(N2CCOC2=O)c1 745627028 WYGGKIIMFFLIIO-NTMALXAHSA-N 438.277 5.562 30 20 IKED COc1cc(/C=C2\CN(C)C/C(=C\c3ccc(SC)c(OC)c3)C2=O)ccc1SC 746341004 ZHRQYDFSGUDBQV-XOBNHNQQSA-N 441.618 5.129 30 20 IKED COc1cc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)ccc1OCc1ccc(Cl)cc1 746958779 SDARNYIFIDOYPQ-RUDMXATFSA-N 449.890 5.155 30 20 IKED COc1cccc([C@H](NCc2ccc(N(C)CCC#N)cc2)c2cc(F)ccc2OC)c1 747100085 QNQZHPLSDUEQPQ-SANMLTNESA-N 433.527 5.072 30 20 IKED N#C[C@H](C(=O)CSCc1cscn1)c1nc(-c2ccc(Cl)cc2Cl)cs1 747211382 YZJJHOVTSQCNAZ-CYBMUJFWSA-N 440.402 5.683 30 20 IKED CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 748840041 VLAMPOILVATMPB-MCMMXHMISA-N 449.523 5.206 30 20 IKED Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)N[C@H](CCC#N)c1ccccc1 749220410 BLVOMKOURCRTHQ-WOJBJXKFSA-N 427.980 5.393 30 20 IKED N#Cc1ccc(NC(=S)N(Cc2ccccc2)C[C@H](O)c2cccs2)cc1Cl 755732999 PLECHHMUNDNEAV-IBGZPJMESA-N 427.982 5.206 30 20 IKED Cc1nc(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c(-c2ccccc2)o1 759828851 CLMHQCHJFRQLJT-CQSZACIVSA-N 449.532 5.036 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)Nc3ccccc3SCc3ccccc3)CCO2)c1 761825005 OBOSSSKBLHPKLF-HSZRJFAPSA-N 429.545 5.456 30 20 IKED COc1ccc(-c2nc(/C=C/C(=O)c3ccc(N4CCOCC4)cc3Cl)cs2)cc1 762439659 VLFVTAOWBHKOAW-RUDMXATFSA-N 440.952 5.205 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)c1ccc(Br)cc1 766623479 ROCTXTUVNLCTDN-IFXJQAMLSA-N 427.342 5.025 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CC[C@@]3(C2)OCc2ccccc23)c1=S 769778915 UZJXLEPHQBMGQV-QHCPKHFHSA-N 438.984 5.009 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)c2ccccc2CSC2=NCCS2)cc1 773733404 JFQWCFIJTOEQSP-UHFFFAOYSA-N 443.597 5.491 30 20 IKED N#CCc1ccc(COC(=O)C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)cc1 776213509 CHHLRBHLXBODGC-UHFFFAOYSA-N 441.527 5.123 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNCc2cccc(Br)c2OC(F)F)c1 776928985 PBDBXUHQGFXFDB-HNNXBMFYSA-N 425.273 5.021 30 20 IKED COc1cc(OC)cc(Oc2ccc(/C=C3/CN(C(C)=O)Cc4ccccc4C3=O)cc2)c1 778520253 QXWMQEWCWPKLLN-MTJSOVHGSA-N 443.499 5.125 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=S)NCCCCC(F)(F)F 789385122 AHXBOHGGMFMKTA-UHFFFAOYSA-N 440.375 5.763 30 20 IKED N#C[C@@H](C(=O)CCCSc1ccc(Br)cc1)c1nccc2ccccc12 792103921 MEBZXEPIFNEDCM-IBGZPJMESA-N 425.351 5.746 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(SCc3ccc(Cl)cc3C#N)o2)C1 795259538 RVGHNICTEWASMB-ZDUSSCGKSA-N 434.949 5.001 30 20 IKED Cc1c(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cccc1[N+](=O)[O-] 796800725 YCSSMXDWBJPYGZ-HNNXBMFYSA-N 446.315 5.753 30 20 IKED Cc1csc([C@@H](C#N)C(=O)CSc2nc3c(Cl)c(Cl)cc(Cl)c3o2)n1 799310535 ZDOXHALBWSRQJV-ZETCQYMHSA-N 432.741 5.522 30 20 IKED Cc1ccccc1[C@@H](O)C1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 804508062 ABZQPQINBAUAJP-SANMLTNESA-N 444.506 5.384 30 20 IKED CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccnc(O)c2)cc1 806555803 IQNZVHYSUHMVAO-JLHYYAGUSA-N 425.488 5.323 30 20 IKED COc1ccc2cc(NC(=O)C(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)ccc2c1 807306908 YUTUJRZEPQUIHR-UHFFFAOYSA-N 437.455 5.090 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(Br)nc2)ccc1OCC(F)(F)F 811698036 XZRWGXGXRZXHSI-ZZXKWVIFSA-N 430.220 5.080 30 20 IKED COc1ccc(/C=C\C(=O)c2c[nH]c3ccc(Br)cc23)cc1OCCCC#N 811698113 OSXAZZMKJHOJIE-YWEYNIOJSA-N 439.309 5.518 30 20 IKED Cn1nccc1-c1ccccc1/C=C1/SC(=S)N(c2ccc(C#N)c(Cl)c2)C1=O 814185994 SXIVELYSRVYTEZ-VXLYETTFSA-N 436.949 5.018 30 20 IKED COc1cc(C=NOCC(=O)Nc2ccccc2Oc2ccccc2)cc(Cl)c1OC 823644486 PKPHCPCCRGBSSF-UHFFFAOYSA-N 440.883 5.139 30 20 IKED CCn1c(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)nc2ccccc21 916719705 BUWQRBKIGPRFDX-UHFFFAOYSA-N 439.519 5.023 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cccc(NC(=O)c2cccs2)c1 916903105 LENYAKLDDVIMPY-FQEVSTJZSA-N 445.544 5.086 30 20 IKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)COc1ccc(Cl)cc1C1CCCCC1 916934901 VECIMDJVHXBCAR-IBGZPJMESA-N 440.927 5.123 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 917044985 VOMKEMXIQMKTDQ-MRXNPFEDSA-N 441.940 5.464 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cnc(O)c(C(F)(F)F)c3)cc2Cl)c1 1542789893 KNKYUCGIJIQWGN-UHFFFAOYSA-N 447.800 5.162 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(Cl)cc4c3)CCC2)cc1 1785936638 RJYDWOFKYCWRFZ-UHFFFAOYSA-N 446.938 5.186 30 20 IKED CC(C)[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)c[nH]3)CCC2)cc1)c1ccccc1 1786181746 JTXWQFGDVJLNLL-XMMPIXPASA-N 440.547 5.074 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cn(C)c4ncccc34)cc2)CCC1 1789398407 JVSQYXMKCONOAA-UHFFFAOYSA-N 444.579 5.313 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc4ncccc34)CCC2)cc1 1791727509 TZUJIWKVRIODQN-UHFFFAOYSA-N 425.532 5.176 30 20 IKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3ccc(Cl)cc3)o1)C2 1801639194 AYOHZNKKYFJIQM-GEALJGNFSA-N 426.944 5.064 30 20 IKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H](C)c1ccccc1)c1ccccc1 1801749345 MRHGLTFCXXJQHB-BYBMWWPSSA-N 442.603 5.016 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cnc2Cl)CC1 1823750889 WPNALPNGNFHKQJ-NRFANRHFSA-N 446.035 5.269 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cc3ccc(F)cc3)cc2)CC1 1831859323 NSWCBJXBBAQLHE-AREMUKBSSA-N 448.582 5.226 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)(C)C)cc1)=C(/S)Nc1cc(C)cc(C)c1 10172556 CZRIQZWCSNJLIO-UHFFFAOYSA-O 445.652 6.502 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)Cc3ccc(Cl)c(Cl)c3)s2)cc1 14621474 XUHRPPASBQIDGH-UHFFFAOYSA-N 435.361 5.190 30 20 IKED N#Cc1ccc(C(=O)COC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 19190509 UXHOJUAZESZJGW-ZZXKWVIFSA-N 427.300 5.035 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2ccc(C)cc2)cc1 22730957 QUSCZZRXLHGWHS-UHFFFAOYSA-O 434.541 5.112 30 20 IKED C=CCn1c(SCC(=O)N(CC#N)c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 23869142 SLMYKSKKODQSSV-UHFFFAOYSA-N 445.592 5.077 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC(c3nc4ccccc4s3)CC2)cc1 26370359 UNRFHPWSZDQBMI-IBGZPJMESA-N 432.593 5.120 30 20 IKED CC(C)(C)c1nc(CSc2nc3ccccc3c(=O)n2-c2ccc(C#N)cc2)cs1 32330489 PPUKCEWGRIIGAP-UHFFFAOYSA-N 432.574 5.304 30 20 IKED C=CCn1c(S[C@H](C)C(C)=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 39565837 RPVYWDWRHANGHG-GOSISDBHSA-N 428.561 5.724 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F 63390442 YSPOVCZEUXBQTH-UHFFFAOYSA-N 443.809 5.409 30 20 IKED CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)[C@H](C)Oc2ccc(C#N)cc2)c1 105518474 XXPJHWHCRWGILY-UXHICEINSA-N 441.531 5.074 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)cc1Cl 195622702 GXUZGCSFOHCKIY-NRFANRHFSA-N 432.907 5.338 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCCCN3C(=O)c3cccs3)cc2)c1 303294545 BRMFARBQEVOVSP-NRFANRHFSA-N 431.517 5.045 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)cc1 303848637 KESHFWSTONGBBX-UXHICEINSA-N 444.453 5.142 30 20 IKED Cc1ccc(Br)cc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 303963755 CKFRMQMTPNRXTI-UHFFFAOYSA-N 435.321 5.655 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 409799146 VXVUFQMDBNQZHL-MOPGFXCFSA-N 438.314 6.103 30 20 IKED C=C(C)COc1cccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)c1 409931691 RLUPLOXJEZTKIZ-UHFFFAOYSA-N 436.821 5.147 30 20 IKED Cc1nc([C@H]2CCCN2CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)cs1 426742823 LGVZWVKOQDIPSZ-OAQYLSRUSA-N 425.602 5.022 30 20 IKED CC(C)Oc1ccc(-c2ccc(NCc3nnc(-c4ccc(C#N)cc4)o3)c(F)c2)cc1 427855437 COGZIGWCGHOWQR-UHFFFAOYSA-N 428.467 5.814 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccccc2COCc2ccccc2)c1-c1ccccc1 428189111 ZGHPYIAMJNCXTH-UHFFFAOYSA-N 436.515 5.433 30 20 IKED COc1cccc(-c2ccc(CNC(=O)c3cnn(CCC#N)c3-c3ccccc3)cc2)c1 428625841 VSTOSMKHTBGXBY-UHFFFAOYSA-N 436.515 5.069 30 20 IKED CCOc1nc(C(F)(F)F)ccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 429104501 FQFIQJXQLJUTMX-OAHLLOKOSA-N 447.438 5.121 30 20 IKED CCCn1ccnc1CCCN(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 429451092 VLNXVBHQEZVFGK-QFIPXVFZSA-N 449.986 5.698 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2c(-c3cccc(Cl)c3Cl)noc2C)cc1 430411367 FDEUELBKEBNEBR-UHFFFAOYSA-N 430.291 5.125 30 20 IKED CCN(CC)C(=O)Cn1ccc2cc(NC(=O)N[C@H](CCCC#N)c3ccccc3)ccc21 432797260 KZKKNXOBJCWUOR-HSZRJFAPSA-N 445.567 5.066 30 20 IKED Cc1sc2ncnc(SCCC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c2c1C 436359429 JZNJNEDKVRQSJV-OALUTQOASA-N 436.606 5.089 30 20 IKED CN(C(=O)c1cccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1)c1ccccc1 437814693 IRYHJLKOFYVXLE-DQEYMECFSA-N 438.531 5.267 30 20 IKED CN(C)Cc1cc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)ccc1F 438668343 FMXUPOIGAZHARX-UHFFFAOYSA-N 436.462 5.012 30 20 IKED Cc1ccc(C(=O)N[C@H](CC(=O)N[C@H](CCC#N)c2ccccc2)c2ccccc2)cc1 439648509 AQENKFWIYXPGBD-JWQCQUIFSA-N 425.532 5.018 30 20 IKED N#Cc1ccc(CN(Cc2csc(-c3ccoc3)n2)c2ccc3nc(O)[nH]c3c2)cc1 440723409 CSOIROZVDMHZTG-UHFFFAOYSA-N 427.489 5.063 30 20 IKED N#Cc1cc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)ccc1OC(F)(F)F 441525829 ZUNKDMUXJRJRNC-UHFFFAOYSA-N 431.395 5.023 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1CC(C)(C)CCc2ccccc21 443116303 CCEWEAPHUPGYGC-UTKZUKDTSA-N 435.593 5.097 30 20 IKED N#Cc1c(NC(=O)CCc2nc3cc(Br)ccc3s2)sc2c1CCC2 443817109 PKZNCIKACNPURG-UHFFFAOYSA-N 432.368 5.052 30 20 IKED CCn1c(CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)nc2cc(F)ccc21 444734845 OCSRWMXGVFHSIG-INIZCTEOSA-N 433.371 5.997 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)C(=O)Nc3cccc(Oc4ccccc4)c3)n2)c1 446416225 OVLFVDCXSGVAOY-UHFFFAOYSA-N 440.484 5.051 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 446631199 KHPXZTHWIASFST-GBXCKJPGSA-N 441.600 5.667 30 20 IKED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCc2sc(-c3csc(C)n3)cc2C1 460965015 XFFPYHXKFSQWBV-VBKZILBWSA-N 441.626 5.008 30 20 IKED C[C@H](C(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)c1cccc(C#N)c1 463259492 PDQKRDCNKRZSDT-OYHNWAKOSA-N 448.448 5.463 30 20 IKED N#CCCN(C(=O)c1cc(Br)cc2cccnc12)C12CC3CC(CC(C3)C1)C2 464354485 JGCCOOJTFRTHFU-UHFFFAOYSA-N 438.369 5.322 30 20 IKED N#C[C@H](C(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccn1 464418532 RWMIDGBGHIALAU-ZDUSSCGKSA-N 425.288 5.264 30 20 IKED COc1ccc([C@@H](CNC(=O)CSc2cccc(C#N)c2)c2c[nH]c3ccccc23)cc1 468627668 NSHFYCKNCSSTRJ-HSZRJFAPSA-N 441.556 5.089 30 20 IKED COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 470501559 YNRWLHPFBKLIJC-SCWSEQNSSA-N 427.932 5.057 30 20 IKED CC(C)(C#N)c1ccc(C(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 476217683 JIHBSMIVEIFFCE-UHFFFAOYSA-N 429.467 5.560 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)cc1 476476101 KYXVBKFUQZXQGQ-IBGZPJMESA-N 434.584 5.403 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1csc(-c2ccco2)n1 478569848 PTNHYDFPYFWSFT-UHFFFAOYSA-N 430.489 5.697 30 20 IKED C=C(C)[C@@H](NC(=O)CSc1nnc(-c2ccccc2C)n1CC)c1ccc(F)c(F)c1 478923132 YVTUHVBNTUHPEH-OAQYLSRUSA-N 442.535 5.077 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3cc4c(Cl)cc(Cl)cc4[nH]3)ccc21 480525727 GTMRZCKUUXHEMO-UHFFFAOYSA-N 441.318 5.310 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccccc1C 488904487 UKXHCZSXPGPBHT-IBGZPJMESA-N 434.609 5.991 30 20 IKED C=CC[C@@H](C(=O)Nc1ccc(Oc2ccccc2S(=O)(=O)CC)cc1)c1ccccc1 489728461 KSFHRCDCMGRERO-JOCHJYFZSA-N 435.545 5.571 30 20 IKED O=C(Nc1cc(F)c(OC(F)F)cc1F)c1cc(C(F)(F)F)ccc1Br 490273654 QVSZJHDINYBVDT-UHFFFAOYSA-N 446.116 5.600 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(OCc3cccc(F)c3)cc2C)cc1 502486948 KGDFOYQTBAJLEG-UHFFFAOYSA-N 448.498 5.665 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(Oc3ccccn3)cc2)cc1 504145725 UEPFBOOHDQXGBM-UHFFFAOYSA-N 425.419 5.929 30 20 IKED CC(C)(C)Oc1cccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)n1 504180248 GXAUJPBCSXUWRJ-UHFFFAOYSA-N 431.561 5.353 30 20 IKED CC(C)CCN(CCC#N)C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 505175342 WJQPKWWCSTZCBO-UHFFFAOYSA-N 442.357 5.103 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 505197636 OJXPDTVAPCFBRI-PKTZIBPZSA-N 444.556 5.644 30 20 IKED C[C@H]1C[C@H](C)CN(C(C)(C)CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 506311450 TWSNDXXGBZQXKN-SFTDATJTSA-N 448.611 5.210 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)c1 506901137 UBSFMUPEPDLXFF-UHFFFAOYSA-N 427.810 5.608 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2csc(-c3cccc(C)c3)n2)cc1 508134998 WEZPHSUINZSLDU-UHFFFAOYSA-N 431.561 5.114 30 20 IKED COCCSc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 509247064 OEAMRDZFWOQLDR-SFHVURJKSA-N 447.560 5.972 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 511863489 ZYXRGXVQTXQKRJ-AWEZNQCLSA-N 430.455 5.395 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 512555157 RZYGUXNIYUJNRX-UHFFFAOYSA-N 426.398 5.428 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2ccccc2OCc2cccc(Br)c2)n1 513676449 FNOSQPSOOYTSLD-KRWDZBQOSA-N 427.323 5.283 30 20 IKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1cc(F)ccc1Cl 514905934 VWBPNIUGGRNYFX-UHFFFAOYSA-N 445.718 5.614 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cnn(-c4cccc(Cl)c4)c3)c2)cc1 515679558 DQIHAASUDWLYGW-UHFFFAOYSA-N 442.906 5.423 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(NC(=O)c4ccco4)c3)n2)cc1 516270448 ZCNNBGWMOPUHIF-IBGZPJMESA-N 438.468 5.017 30 20 IKED CC(C)C[C@H](NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1cccs1 516477533 FDOXTXXHKONVLS-QFIPXVFZSA-N 447.560 5.041 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 517474319 OBCWGBUQGPVZQJ-FOIQADDNSA-N 439.972 5.236 30 20 IKED CCCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C)[C@H](C)c1cc2ccccc2o1 517794690 VCBOMHOVCARQCE-QGZVFWFLSA-N 433.508 5.030 30 20 IKED CC(C)c1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nn1C(C)(C)C 518871171 YPKKNNJLPLAFIG-CYBMUJFWSA-N 428.508 5.653 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3ccc4c(c3)OCO4)cc2)c1 521810723 ADXAADXIFQDGQH-QFIPXVFZSA-N 427.460 5.448 30 20 IKED COc1cc2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)[nH]c2cc1OC 522821092 DJZAXBDMBNPOSF-UHFFFAOYSA-N 445.450 5.027 30 20 IKED CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2ccc(C#N)cn2)cc1 523653628 ZUCPJCLPNOWHFD-UHFFFAOYSA-N 427.382 5.415 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cccc(CSC2CCCCC2)c1 523992258 VPECECNVLQOBSJ-UHFFFAOYSA-N 447.604 5.277 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C 524077005 NOGSEZJJUYGHNO-WIYYLYMNSA-N 429.495 6.208 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3csc(-c4ccccc4)n3)cc2)c1 524390935 LLQYEPFLRHIECD-UHFFFAOYSA-N 425.513 5.442 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N(Cc3ccccn3)C3CC3)cc2Cl)c1 524441595 REOLIVDSPMQEMC-UHFFFAOYSA-N 432.911 5.382 30 20 IKED C=C(C)CN1CCC(NC(=O)N(Cc2ccc(-c3cccc(F)c3)s2)C(C)C)CC1 524668909 DSFUPLCTJKFJIO-UHFFFAOYSA-N 429.605 5.515 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](COc2ccccc2Cl)C1 533139029 HYYPSDZLTSMSCJ-MSOLQXFVSA-N 444.000 5.915 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cccc1-c1ccccn1 533635791 OGAHWSDOFYLYKJ-GOSISDBHSA-N 440.528 5.136 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(N2CCCC2=O)ccc1Cl 534819227 ZWIPJDZFEUMFGN-UHFFFAOYSA-N 446.894 5.087 30 20 IKED Cc1cc(NC(=O)N(CC2(c3ccc(Cl)c(Cl)c3)CCC2)C2CC2)nn1CCC#N 538617871 GJGLCDZOPZGHNZ-UHFFFAOYSA-N 446.382 5.530 30 20 IKED O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1ccc2nc(C(F)F)[nH]c2c1 542827455 PCYPIXDWLWRJOK-CYBMUJFWSA-N 435.299 5.135 30 20 IKED Cc1nnc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)s1 546128506 FUIMIGXVMLWVJM-NSHDSACASA-N 447.442 5.412 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 548954804 QSZOWEVHWBGYPK-DEOSSOPVSA-N 447.966 5.273 30 20 IKED CCCc1c(NC(=O)Nc2ccc(C(F)(F)F)nc2C)cnn1-c1cccc(C#N)c1 549362826 RLLKKZZZHZMGCL-UHFFFAOYSA-N 428.418 5.063 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(-c2ccc(OC)nc2)ccc1C 549386234 WXTUWVLVRXZUDJ-UHFFFAOYSA-N 432.480 5.194 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(C#N)(c2ccccn2)CC1 554559167 SIKRNYROPGPUNL-UHFFFAOYSA-N 437.503 5.143 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cc(Br)cc3cccnc23)cc1 555979542 YMZFNIVOBWRPIR-UHFFFAOYSA-N 448.242 5.074 30 20 IKED C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@@H]1c1csc(C)n1 568568555 WNYZKJXUTKADBM-OAQYLSRUSA-N 437.613 5.581 30 20 IKED CC(C)[C@H](c1ccc(Br)cc1)c1noc([C@H](C#N)Cc2ccc(C#N)cc2)n1 582267213 IHWWFMIIXUKRDH-AZUAARDMSA-N 435.325 5.342 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)C3(Cc4cccs4)CCCCC3)ccc21 583537076 RJROXTBEGJVWQI-UHFFFAOYSA-N 435.593 5.463 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1 583774736 GVEBSAGOTOKOBB-UHFFFAOYSA-N 447.897 5.298 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccccc1-c1nc(C(C)C)no1 609019961 CSDYEFGUJGLPAE-UHFFFAOYSA-N 438.487 6.085 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 609049825 WNLVVCDZZUVJQY-UHFFFAOYSA-N 426.451 5.702 30 20 IKED COc1ccccc1OCCCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609207507 BFGNNKHFOUGLLC-UHFFFAOYSA-N 445.519 5.045 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(CNC(=O)c2cccs2)cc1 609378218 VWXMVYZRTRFZQK-MRXNPFEDSA-N 435.574 5.182 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2SC[C@@H](C)C#N)c(OC)c1 609403164 XYMYJXRAFZPUHY-OXJNMPFZSA-N 425.554 5.325 30 20 IKED COc1ccc2oc([C@@H](C)NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)c(C)c2c1 609506008 HVIDIFWIFTZLEX-MRXNPFEDSA-N 427.460 5.300 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)c1C#N 609530049 KYOFIXXAFJTQNU-UHFFFAOYSA-N 434.540 5.193 30 20 IKED N#C[C@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccccc1Br 609590743 FGFPBTAFLZLFSH-KRWDZBQOSA-N 444.716 5.071 30 20 IKED Cc1ccc(-c2nc(CCNC(=O)c3cccc(COc4ccc(C#N)cc4)c3)co2)cc1 609661774 UMTQUUISTQLHDU-UHFFFAOYSA-N 437.499 5.073 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N(Cc2ccncc2)C[C@@H]2CCCO2)c1 609736621 PQGGRRYCKBXSNH-QHCPKHFHSA-N 447.922 5.220 30 20 IKED Cn1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c(-c2ccc(Cl)s2)n1 616159453 MXTPXCXSKLVLEK-UHFFFAOYSA-N 435.896 5.113 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1 619342905 DXAJXNYBDVARGI-JOCHJYFZSA-N 442.563 5.394 30 20 IKED C=CCn1c(SCc2csc(C(C)(C)C)n2)nnc1[C@@H]1COc2ccccc2O1 642252136 OEQQEOVHTDLTDS-KRWDZBQOSA-N 428.583 5.023 30 20 IKED CC(F)(F)c1ccc(CNC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 644971869 FTUYYRJMARVQCX-CHWSQXEVSA-N 432.355 5.507 30 20 IKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674445319 BQCLNIRBENJQME-NXEZZACHSA-N 447.219 5.537 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1C(F)F 676221203 ITWFBEWZESMOOQ-UHFFFAOYSA-N 435.702 5.784 30 20 IKED C=CCNC(=O)Nc1ccc(NCc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 677149760 RWCRFDMWBURGHG-UHFFFAOYSA-N 433.364 6.037 30 20 IKED Cn1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(-c2cccs2)n1 678171807 PHHJVQIHEKBADB-LLVKDONJSA-N 432.452 5.267 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 728767197 XIBVOAGHVZYFES-AVRWGWEMSA-N 437.499 5.825 30 20 IKED N#C[C@@H](C(=O)[C@H](Sc1ccccc1F)c1ccccc1)c1nc2cc(F)ccc2s1 730420209 BHTLJXNVAJOTOL-KSFYIVLOSA-N 436.508 6.284 30 20 IKED CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1C 731060366 HTHLSXAURCXKCV-INIZCTEOSA-N 447.560 5.295 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1Oc1cccnc1 731078922 UQAAEURJHZWFHB-KRWDZBQOSA-N 447.516 5.064 30 20 IKED Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c(Cl)c1 732398988 HLCGQKCSWVZRIZ-MRXNPFEDSA-N 449.894 5.200 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnn(-c3ccccc3Cl)c2C)cc1 732707569 AFXQCENYCUOEQO-BEFAXECRSA-N 434.927 5.309 30 20 IKED Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 734648862 VKBNFTLQXIBLSR-UHFFFAOYSA-N 428.536 5.028 30 20 IKED C=CC[C@@H](NC(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1)c1ccncc1 734662995 GECNEUQKIZHEMO-FGZHOGPDSA-N 436.353 5.550 30 20 IKED Cc1cc(C(=O)CSCc2cc(Cl)ccc2OCC#N)c(C)n1CC(F)(F)F 735320601 ZWPFIVIMYSQCBX-UHFFFAOYSA-N 430.879 5.339 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCC[C@H](c4nc5ccccc5o4)C3)c2)s1 740060770 XFDJGQZMYYYGGY-IBGZPJMESA-N 442.544 5.517 30 20 IKED N#Cc1ccc(F)c(CNCc2cc(Br)ccc2OCc2ccccc2)c1 742381639 AMDIEJKCZQBLLO-UHFFFAOYSA-N 425.301 5.329 30 20 IKED CCOc1c(Cl)cc(C=NO[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1OC 744445345 NJSHJJKDKKDXMK-LBPRGKRZSA-N 436.295 5.562 30 20 IKED COc1cc(C(=O)/C=C\c2ccc(-c3ccc(C)cc3)o2)ccc1S(=O)(=O)C(F)F 747065687 CJTJKHQJJURBQH-NTMALXAHSA-N 432.444 5.156 30 20 IKED C[C@H](OC(=O)CCc1ncc(-c2ccccc2Br)o1)c1ccc(C#N)cc1 748677443 MZIYFXWVRQZZDU-AWEZNQCLSA-N 425.282 5.213 30 20 IKED CC[C@@H](C)Oc1cc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)ccc1OC 749444205 NZYPADFCTWRBNY-MRXNPFEDSA-N 447.560 5.502 30 20 IKED Cc1ccsc1[C@H](Cc1ccccc1)NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N 754361827 XUJYFJVVKNYJOM-IRLDBZIGSA-N 438.556 5.167 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](O)c2cc3ccccc3s2)cc1 758220245 DGFQHHPSZPLQPA-VXKWHMMOSA-N 427.529 5.412 30 20 IKED Cc1cc(Br)ccc1C=Nn1cnc2sc(C)c(-c3ccccc3)c2c1=O 759185305 NVPIUSMTAZWBJK-UHFFFAOYSA-N 438.350 5.387 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 760083699 CKTRBYLYOHPMJK-FZKQIMNGSA-N 438.380 5.490 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 761668769 QVTKDEDFGNEATA-OAHLLOKOSA-N 438.286 5.110 30 20 IKED Cc1ccccc1COc1cccc(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c1 761859796 YIQZQOVWBLMQHT-VWLOTQADSA-N 427.504 5.051 30 20 IKED CC(C)c1cccc(C(C)C)c1NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1ccccc1 762440009 JDPUPMALFZGCPQ-UHFFFAOYSA-O 442.608 6.416 30 20 IKED C#CC[C@H](NC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)c1ccccc1 766246684 CNHOXQVRLYXKIF-NRFANRHFSA-N 435.886 5.618 30 20 IKED C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1 766624088 ZEYNJUWUFMPDEM-HWPZZCPQSA-N 440.124 5.207 30 20 IKED COc1cc([C@H](C#N)NC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC 768143499 XBVBOBITEJSNRJ-NRFANRHFSA-N 426.472 5.013 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2ccnc2)cc1 768971412 VLKHIQQTPRQNOW-KWXIBIRDSA-N 447.542 5.589 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cc1 772308699 GPAFGTKGFPFQGB-RXVVDRJESA-N 449.551 5.177 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CC=C(c4ccc(Cl)nc4)CC3)cc2)cc1 773810468 OFIGIWIYTXBHLE-UHFFFAOYSA-N 429.907 5.523 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1cccc(OC(F)(F)F)c1 775548903 RTYPZYXMSFDAMV-HUUCEWRRSA-N 437.487 5.126 30 20 IKED C[C@H](NC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1)c1ccc(-c2cccc(C#N)c2)cc1 782753237 GFGQAOLIOJPZKA-NWVWQQAFSA-N 429.520 5.177 30 20 IKED CC(=O)c1ccc(Oc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc2)cc1 783350490 NSCYIFDGSYXZIQ-JOCHJYFZSA-N 432.863 5.296 30 20 IKED C[C@@H]1[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CCN1C(=O)OC(C)(C)C 786448095 ATGXPWOMQXGUEC-XYPHTWIQSA-N 445.972 5.285 30 20 IKED C/C(C=Nn1cnc2sc(C)c(-c3ccccc3)c2c1=O)=C\c1cccc([N+](=O)[O-])c1 787153553 FLQXYJCNUKXIKQ-SXCGLRDPSA-N 430.489 5.279 30 20 IKED COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)[C@H](C#N)c5cnc6ccccc6n5)(C4)C2)C3)cc1 792111113 WFWWOUVIRATLDJ-ZWQWVGFXSA-N 437.543 5.353 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2[C@H]3CC[C@H]2CC(Cc2ccccc2)C3)c1=S 795695399 SRIPCTPCSNLGFJ-GOTSBHOMSA-N 431.609 5.105 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2c(-c3ccc(Cl)c(Cl)c3)noc2C)c1 797875525 CVACCFLEDLZINE-INIZCTEOSA-N 444.318 5.568 30 20 IKED N#CC1(CCCSC2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(F)cc2)CCOCC1 798366315 QXCAMWUJAXJEPL-OQKWZONESA-N 449.551 5.403 30 20 IKED N#CC1(CCCOC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCOCC1 800111184 VVARTQKVTSXTPX-NSCUHMNNSA-N 435.364 5.381 30 20 IKED O=C(Nc1ccc(NC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)c(C(F)(F)F)c1)C1CC1 801655068 QITGYFZSZMQNOO-MRXNPFEDSA-N 448.338 5.722 30 20 IKED CC1(C(=O)OCc2nc(C(F)(F)F)cs2)CCN(c2ccc(Cl)cc2C#N)CC1 805596768 VEFDXCSBPFOFHA-UHFFFAOYSA-N 443.878 5.037 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 808829826 GPBSBOBLDLRIFJ-GKVQRAMASA-N 431.561 5.535 30 20 IKED C=CCn1c(COc2ccccc2)nn(CN(C)[C@H]2CCCC[C@H]2C(F)(F)F)c1=S 812297648 KVRSXIDQKJJDLT-MSOLQXFVSA-N 440.535 5.189 30 20 IKED CC[C@@H](Cc1cccc(Br)c1)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813217592 NKKCAFVYDVANQF-XJKSGUPXSA-N 425.248 5.308 30 20 IKED Cc1cccc(NC(=O)c2ccccc2NC(=O)CN[C@@H](CCCC#N)c2ccccc2)c1 814658517 FEWWAFFCGJZYJZ-DEOSSOPVSA-N 440.547 5.211 30 20 IKED N#Cc1c(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)sc2c1CCCCC2 878109806 WRQBPYJLMZXHPY-UHFFFAOYSA-N 435.163 6.150 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ncc(-c4ccc(C)cc4)o3)n2)cc1 915100154 LMEYPPIRXAXVEP-FQEVSTJZSA-N 427.529 5.891 30 20 IKED N#C[C@H](C(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1nc(-c2ccc(Cl)cc2)cs1 915101505 HTWZIAMDOIZSRP-SJLPKXTDSA-N 435.936 5.231 30 20 IKED COc1cc(C=Nn2c(S)nnc2-c2ccc(C)cc2)c(-c2ccccc2)cc1OC 915270891 UPEFJNAHMSZADZ-UHFFFAOYSA-N 430.533 5.109 30 20 IKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1C 916215588 IZAIXEFMILCVGA-GOSISDBHSA-N 449.498 5.384 30 20 IKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccco1 916217965 ZAPFUJATTLWPSQ-HXUWFJFHSA-N 433.533 5.057 30 20 IKED Cc1cc(OCC(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1C(C)C 916882691 AMEZEGRKLOGGCJ-IBGZPJMESA-N 432.492 5.160 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc2ccccc2n1Cc1ccccc1F 916883091 GWOAHZBDAZHCSV-HXUWFJFHSA-N 445.881 5.443 30 20 IKED N#C[C@@H](C(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1ccccc1Cl 916907454 AWARMGHKBDPLCP-VIFPVBQESA-N 432.090 5.027 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(Cl)c(OCC)c(OC)c2)cc1 916912619 BZHYCDKNBHGUQO-SFHVURJKSA-N 428.916 5.051 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(F)c(Br)c3)n2)cc1 917427810 MCBZHBVKIGRLHN-HNNXBMFYSA-N 429.314 5.439 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CSc3c(F)cccc3C2=O)cs1 917559149 FAHQJZUWNBQQTN-UKTHLTGXSA-N 428.485 5.478 30 20 IKED COc1cc(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc(Cl)c1OCC(C)C 920106741 ZNPSCAWTCMHKKH-QGZVFWFLSA-N 438.911 5.379 30 20 IKED COc1ccc2cc(/C=C\C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)ccc2c1 920803969 HTKJDWUUNGOQLJ-SMTIMMHKSA-N 446.478 6.140 30 20 IKED COc1ccccc1NS(=O)(=O)c1cccc(N=Cc2c(O)ccc3ccccc23)c1 920945969 MERDGDNVVLJDIM-UHFFFAOYSA-N 432.501 5.105 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(C)cc(F)c3F)CCC2)cc1 1786367395 MUHBVDNPWKXYID-UHFFFAOYSA-N 442.506 5.004 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(cnn4C)c3)cc2)CCC1 1789084783 MWDHSMVVIQIATG-QHCPKHFHSA-N 442.563 5.089 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](F)c4ccccc4)CCC3)cc2)cc1 1790285678 ORWYMCMLQHKIOR-HSZRJFAPSA-N 427.479 5.017 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3c(C(F)(F)F)coc3C)CCC2)cc1 1791727360 HKPUFISRJWZDHV-UHFFFAOYSA-N 446.469 5.548 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3occc3c2)[C@@H]1c1cccnc1 1809345889 IOVLBBZNVAKFJW-VWNXMTODSA-N 445.563 5.140 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1 1810499576 DKLGUHGJKIEROB-ZJSXRUAMSA-N 445.563 5.140 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 1811949829 GDMIDNNEPMCKGA-RPBOFIJWSA-N 447.623 5.517 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc(C)ccc2C)[nH]n1 1819310331 YVDNDVAPGKAWKX-GMAHTHKFSA-N 434.584 5.030 30 20 IKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)c2ccc(Cl)cc2)[nH]n1 1822579260 CVHNTSSLFCGRFW-UWJYYQICSA-N 440.975 5.053 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 1824143592 NWRUZHMADLWKGG-AREMUKBSSA-N 447.623 5.099 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)c(F)c2)CC1 1826545232 KDERAEHENHNMLP-HSZRJFAPSA-N 446.582 5.119 30 20 IKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 1826691144 LQVNJTVEJKUUQL-SFHVURJKSA-N 444.000 5.092 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc(F)cc(F)c2)CC1 1827176781 KVQIMYXJMKQUEL-QHCPKHFHSA-N 446.582 5.119 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)ccc(Cl)c2F)CC1 1831375957 HXSGFVZEWDTCHR-BEFAXECRSA-N 438.946 5.064 30 20 IKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1832827876 BNHFBHRVRHKFAT-DEOSSOPVSA-N 442.559 5.233 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)nc2ccccc2c1=O 15230988 HWGZISGNYFEBDX-LBPRGKRZSA-N 434.348 5.009 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2C)nnc1-c1ccc(Cl)cc1 16862739 ORWNDQBJULHWME-MRXNPFEDSA-N 426.973 5.521 30 20 IKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(OCc2ccccc2C#N)c1 60016452 UYMOMUGLLBVJRL-QGZVFWFLSA-N 427.529 5.580 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)CSCc3cc(-c4cccs4)on3)n2)cc1 61111884 ZYVYYURECXLMMO-UHFFFAOYSA-N 438.559 5.270 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccccc4F)n3)n2)cc1 64686900 PAWRGFVIVRCGOA-MRXNPFEDSA-N 430.489 5.434 30 20 IKED N#C[C@@H](NC(=O)c1ccc(Br)cc1F)c1ccc(OCc2ccccc2)cc1 303159108 HJMXAQVSJNPIHA-OAQYLSRUSA-N 439.284 5.162 30 20 IKED Cn1c(C(F)F)nc2cc(C(=O)N[C@@H](c3ccccc3OC(F)F)C(F)(F)F)ccc21 409913462 UFAFPIRURZPLIB-AWEZNQCLSA-N 449.326 5.146 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)N[C@H](CCCC#N)c1ccccc1 431926068 NZNUINLWDQGKQC-DYESRHJHSA-N 436.556 6.053 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(Oc4ccc(Cl)cn4)cc3)CC2)cc1 432203848 PVPGNCDOEFIBIV-UHFFFAOYSA-N 448.910 5.474 30 20 IKED Cc1ccc(-c2c(C)sc3nc(CN[C@H](CCCC#N)c4ccccc4)nc(O)c23)cc1 433009388 HLXISSXVAWNZCA-OAQYLSRUSA-N 442.588 6.206 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)cc1 437379597 ZVHOLGPXJPAWJZ-MRXNPFEDSA-N 442.378 5.099 30 20 IKED Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 437515390 NBHUXWPXJZLENC-GGAORHGYSA-N 446.576 5.203 30 20 IKED Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)Nc1ccccc1SC[C@H](C)C#N 439089609 SHDXAWJVAYNHAQ-GFCCVEGCSA-N 446.359 6.461 30 20 IKED N#Cc1ccc(NC(=O)C(=O)Nc2cccc(CSC3CCCC3)c2)cc1C(F)(F)F 441049394 LOUFAWCUAKIZEW-UHFFFAOYSA-N 447.482 5.330 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccccc2NC(=O)Cc2cccs2)c2ccccc21 444182024 KZDYPHZYIVIJKD-UHFFFAOYSA-N 442.544 5.440 30 20 IKED C[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1noc(-c2ccc(Cl)cc2)n1 444252489 VVEOBJDYNUKXSI-HNNXBMFYSA-N 433.899 5.139 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)cc1 462264289 WKVFSBKUEJKFMZ-URXFXBBRSA-N 443.503 5.401 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@H]3CCO[C@@H]3c3ccccc3)c2)cc1 466074646 VLSODEUDHZUEBW-ZEQKJWHPSA-N 441.531 5.231 30 20 IKED Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)Nc2nn(C(C)C)cc2C#N)cc1 469099997 VYGSNWPWQNQPQX-UHFFFAOYSA-N 441.560 5.616 30 20 IKED Cc1c(C#N)cccc1NC(=O)c1cc(I)c(Cl)cc1Cl 469684728 JVJYNXKTUYKXLS-UHFFFAOYSA-N 431.060 5.030 30 20 IKED C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 469916369 INQGBUUTWOXTTD-CBAPKCEASA-N 430.299 5.022 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3cc4c(s3)-c3ccccc3CC4)ccc21 469953156 MUPJLDIEEDPKME-UHFFFAOYSA-N 441.556 5.349 30 20 IKED C=C[C@@H](CC(=O)N1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1)c1ccccc1 470387925 GSXUUENDVUQNCH-PZJWPPBQSA-N 432.589 5.885 30 20 IKED CCN([C@@H](c1ccc(Cl)cc1)c1cccnc1)S(=O)(=O)c1cc(C#N)ccc1Cl 476335693 LQJCAZKDSHGRMI-NRFANRHFSA-N 446.359 5.060 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 482391835 LMDWMWXXOKBJNB-GOSISDBHSA-N 446.979 5.143 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(C)c(-c3ncco3)c2)cc1C 483389371 BYVCBXNYAMODAR-UHFFFAOYSA-N 425.492 5.296 30 20 IKED C=CCOc1cccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)c1 483452907 RUAQDLKKPABKOJ-QFIPXVFZSA-N 431.536 6.399 30 20 IKED O=C(Nc1cc(F)cc(NC(=O)c2ccc(F)c(F)c2F)c1)c1ccc(F)c(F)c1F 485198959 YAWYKBPDWGSBJC-UHFFFAOYSA-N 442.290 5.165 30 20 IKED Cc1sc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C(C)C)c(C#N)c1C 485374845 MBLJPCLSRMUFSF-UHFFFAOYSA-N 434.348 6.574 30 20 IKED N#C[C@@H](NC(=O)c1cc2ccccc2n1CC(F)(F)F)c1cccc(C(F)(F)F)c1 486435971 ROYXXJGVKSJCOF-OAHLLOKOSA-N 425.332 5.217 30 20 IKED N#CCCN(C(=O)c1ccc(CNC(=O)c2cccs2)cc1)C12CC3CC(CC(C3)C1)C2 486553514 ZITBHMYEHWTXEV-UHFFFAOYSA-N 447.604 5.003 30 20 IKED C=CC[C@@H](C(=O)Nc1cccc(C(=O)N2CCc3sccc3C2)c1C)c1ccccc1 487552259 PRTHJGPOWWJIGE-JOCHJYFZSA-N 430.573 5.553 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 494235719 YLTUKQLMXKVIHJ-UHFFFAOYSA-N 446.385 5.091 30 20 IKED N#Cc1ccccc1-c1ccc(CS(=O)(=O)Cc2noc(-c3ccc(Cl)cc3)n2)cc1 494700314 ADQLIHKRKRRMMI-UHFFFAOYSA-N 449.919 5.044 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cc1csc2nc(-c3ccccc3)cn12 500548289 JCHXXHWLYHIXRK-UHFFFAOYSA-N 428.561 5.162 30 20 IKED N#CCCN(Cc1ccco1)C(=O)c1ccc(COc2ccccc2Br)cc1 502562581 WGWNXYXIKXXOPP-UHFFFAOYSA-N 439.309 5.177 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cccc(-c2noc(C(F)(F)F)n2)c1 503639146 ZVANGKMJQAYIDJ-AWEZNQCLSA-N 447.310 5.318 30 20 IKED C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1occc1COc1cccc(C#N)c1 503651216 XEHJVPYSVNTCMR-OAHLLOKOSA-N 428.410 5.110 30 20 IKED Cc1ccccc1-n1ncc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1C(F)(F)F 504013503 QNUNFMBTTCDPAM-UHFFFAOYSA-N 436.437 5.001 30 20 IKED Cc1nc2cc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)ccc2n1-c1ccccc1 505704747 CLKNWUNVJJMWGW-HXUWFJFHSA-N 435.512 5.343 30 20 IKED Cc1cc(-c2noc(CN[C@H](c3ccccc3C(F)(F)F)C(F)(F)F)n2)ccc1F 505900377 FFKDUKWMDDXQFV-MRXNPFEDSA-N 433.327 5.596 30 20 IKED N#C[C@@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc(Cl)c(Cl)c1 505960406 OKFDMNARGFXAOB-CQSZACIVSA-N 441.196 5.057 30 20 IKED N#Cc1ccnc(N2CCN(C(=O)Nc3ccc(Sc4ccccc4)c(Cl)c3)CC2)c1 508303871 SNKXPUNODRDLEI-UHFFFAOYSA-N 449.967 5.112 30 20 IKED C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CC[C@@]2(C1)OCc1ccccc12 508748611 RUASMRPFTLSKME-QFIPXVFZSA-N 427.335 5.074 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2ncc(Cc3cccc(Br)c3)s2)c1 509079284 FFRBDOIVMOBJOS-UHFFFAOYSA-N 432.730 5.274 30 20 IKED C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1nc2ccccc2[nH]1 509851462 HXBVJMPCACSDCL-QGZVFWFLSA-N 425.492 5.091 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCc1cc(F)cc2c1OCOC2 510632774 ISMZXSKWYAQUAO-UHFFFAOYSA-N 447.466 5.029 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCC2(c3ccc(F)cc3)CC2)cc1 511320875 OJEQGUOUISMLAD-UHFFFAOYSA-N 429.495 5.324 30 20 IKED CC(C)Oc1cccc([C@H](C)NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 511473655 JDZOSMTYNVTIQU-SFHVURJKSA-N 442.519 5.480 30 20 IKED CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1C(C)C 512260709 UYTRTLKGXGZMLG-UHFFFAOYSA-N 428.492 5.025 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ncsc3Br)cc2Cl)c1 512947731 KACQJOLZNAGTIA-UHFFFAOYSA-N 448.729 5.262 30 20 IKED N#Cc1cnc(Sc2nnc(Cc3cccs3)n2CCc2ccccc2)c(Cl)c1 513620356 RNNVUWBLZOGWSS-UHFFFAOYSA-N 437.981 5.244 30 20 IKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)NC[C@H](C)c1ccccc1 517461057 MYZRRNBCJVXVCB-HOTGVXAUSA-N 435.515 5.431 30 20 IKED CC(=O)N[C@@H](CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(Cl)cc1 517511508 WCLCEBWFZBMCKC-QHCPKHFHSA-N 433.895 5.210 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NCCSCc3ccccc3C#N)cc2)cc1 517654554 XNJIWAACRHTGEM-UHFFFAOYSA-N 427.529 5.080 30 20 IKED N#C[C@H]1CN(C(=O)c2sc3ccccc3c2CSc2ccccc2Cl)CCO1 517985334 LEGOSBKMDYASOX-AWEZNQCLSA-N 428.966 5.212 30 20 IKED COc1ccc2oc([C@H](C)NC(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)c(C)c2c1 518581037 QNASJUALQXXSSB-HNNXBMFYSA-N 446.532 5.552 30 20 IKED CCN(Cc1ccc2ccccc2c1)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 520934445 DSGRZHFXICRROY-GOSISDBHSA-N 431.561 5.221 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 521075929 ZYEFIJZZMIBXTP-SFHVURJKSA-N 427.529 6.192 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCc2c[nH]c3ccc(F)cc23)cc1 521938305 XRJWYXMDGCFANO-UHFFFAOYSA-N 429.520 5.443 30 20 IKED COc1cc(CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)ccc1OCCC(C)C 521953800 UXMCUTXEORTAMP-UHFFFAOYSA-N 445.519 5.109 30 20 IKED CCN(Cc1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1)C(C)=O 523877020 CGSXARIXFUUFSR-UHFFFAOYSA-N 447.922 5.625 30 20 IKED Cc1cc(C(=O)Nc2ccn(CCC#N)n2)ccc1N[C@@H](C)c1cc(Cl)ccc1Cl 524973616 GURTVOSYJSFDIF-HNNXBMFYSA-N 442.350 5.837 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc4[nH]c5c(c4c3)CCCCC5)ccc21 530345580 AKDMUQSXHKCPLS-UHFFFAOYSA-N 440.547 5.272 30 20 IKED COC(=O)CCC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 531002963 JHLDTHOJNRUPOQ-UHFFFAOYSA-N 441.915 5.201 30 20 IKED N#CC1(NC(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)CCSCC1 535956418 AXHOPQLZOQHVJB-UHFFFAOYSA-N 449.363 5.157 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 539761497 KNBKHIGPRVSJCV-IEBWSBKVSA-N 446.580 5.277 30 20 IKED C[C@H](c1ccccc1)N1CCC(NC(=O)c2ccccc2Oc2ccccc2C#N)CC1 540870828 PMWAPWFYJWNVQB-HXUWFJFHSA-N 425.532 5.306 30 20 IKED CC(=O)Nc1ccc(F)c(C(=O)N(C)[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1 542178253 DVSIRZNIUMHOER-MRXNPFEDSA-N 436.327 5.179 30 20 IKED COc1cccc([C@@H]2CN(C(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CCO2)c1 543942422 KXGCVLNSAJFTGB-SIBVEZHUSA-N 441.531 5.078 30 20 IKED CC(=O)NC1(c2noc(-c3ccc(Oc4ccccc4C#N)c(Cl)c3)n2)CCCCC1 546307009 CNZNQTWFGHFXAC-UHFFFAOYSA-N 436.899 5.349 30 20 IKED CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 549009598 LPNRANGXOXGYLU-OAHLLOKOSA-N 448.510 6.292 30 20 IKED CCc1oc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1C(=O)OC 549116907 ILOYVOBFRAYQSD-CYBMUJFWSA-N 449.315 5.549 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)c3nc4cccc(C)c4[nH]3)cc12 565767998 MWHVPVVWQPWPBP-SFHVURJKSA-N 443.507 5.268 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](Sc1ccccc1F)c1ccccc1 566906764 ZXCNNLIHFWNYSG-UZUQRXQVSA-N 436.577 6.550 30 20 IKED COc1ccc(-c2ncc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)s2)cc1OC 568712945 FSTXOZHCDINDJD-INIZCTEOSA-N 447.541 5.441 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N(Cc3ccco3)c3ccc(F)cc3F)CC2)c(F)c1 574938446 BGAKADPEQYXENK-UHFFFAOYSA-N 439.437 5.018 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c(OC)c1 589362781 VQKSFNDEKHTEEI-QHCPKHFHSA-N 444.491 5.132 30 20 IKED Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603673405 RNUUPCKKLDRHJV-JOCHJYFZSA-N 441.918 6.140 30 20 IKED CCOC(=O)C1CCC(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 604461668 VMNKPECGVTUTKY-NGICGMGXSA-N 439.943 5.239 30 20 IKED C[C@@H](CC(=O)Nc1ccc(OC(F)F)cc1OC(F)F)c1cccc(C(F)(F)F)c1 606177018 WPAXBYUAZRYWKP-JTQLQIEISA-N 439.327 6.041 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(OC2CCOCC2)c(C)c1 606783958 IMCKLXAPIVFZJA-UHFFFAOYSA-N 435.442 5.389 30 20 IKED Cc1cc(NC(=O)c2occc2COc2cccc(C#N)c2)ccc1Oc1cccnc1 608805968 YJEVMQXQKXPHKJ-UHFFFAOYSA-N 425.444 5.478 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 608916291 WBCXKNQQMNSXJS-UHFFFAOYSA-N 448.577 5.016 30 20 IKED C/C=C/c1ccc(OCC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c(OC)c1 609028546 CNVMRSMZKZQUHP-MLENBVEFSA-N 442.515 5.067 30 20 IKED CCOC(=O)c1c(C2CC2)csc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 609054456 NJUKNUDRPSUITC-UHFFFAOYSA-N 436.489 5.098 30 20 IKED Cc1ccc(C)n1-c1nc(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cs1 609063915 MWARESJLIXBDCX-UHFFFAOYSA-N 442.544 5.183 30 20 IKED CCOc1ccc2nc(SCC(=O)Nc3ccccc3S[C@@H](C)CC#N)[nH]c2c1 609371105 ZOUHOSLVCUSXNB-AWEZNQCLSA-N 426.567 5.087 30 20 IKED Cc1nc(C(=O)Nc2ccccc2S[C@H](C)CC#N)nn1-c1c(Cl)cccc1Cl 609427601 QDYBHHGIKFAPBD-GFCCVEGCSA-N 446.363 5.529 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3nc(-c4ccc(Cl)cc4)no3)cc2)cc1 609683319 NZSGARYNVYPSQA-UHFFFAOYSA-N 445.866 5.376 30 20 IKED N#Cc1ccc(N2CCC(NC(=O)c3cc(Cl)ccc3Sc3ccccc3)CC2)nc1 612678045 UVOBFISVUSVECQ-UHFFFAOYSA-N 448.979 5.157 30 20 IKED C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 642282088 KEGVBKFJXBTHCA-RLCCDNCMSA-N 443.450 5.400 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1OC(F)F 642282129 NKPFSJUVHDPCDL-LLVKDONJSA-N 442.365 5.415 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cccc1-c1ccccn1 677257503 SWJNDNPOFLESRO-QGZVFWFLSA-N 437.446 6.176 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)c(C)c(C)c2C)[n+]2cccc(CO)c2)c1 726572652 HIOVCPRUNJLIBL-UHFFFAOYSA-O 443.592 5.005 30 20 IKED COc1cc(/C=C/C(=O)O[C@H](C)c2cccc(C#N)c2)ccc1OCc1c(C)noc1C 727640426 IJAFECLRPNQBKH-QXLXQBSBSA-N 432.476 5.068 30 20 IKED N#Cc1cccnc1NCCNC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 727757054 NSRPUXSVLKBXAO-UHFFFAOYSA-N 446.510 5.042 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cnn(-c3ccccc3Cl)c2)cc1C 730224744 UMXDVBKCQPEKJJ-UHFFFAOYSA-N 444.926 5.172 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1nc(-c3ccccc3)cs1)O[C@H](C)C2 730686762 JFISKUJLKAITDI-WUHBCXKYSA-N 444.556 5.512 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)ccc1OC 733230268 NKVHCJMFVSNJRL-OFVILXPXSA-N 446.572 5.526 30 20 IKED O=C1/C(=C\c2cc(C(F)(F)F)ccc2F)NC(=S)N1c1ccccc1C(F)(F)F 733304605 LRZXJBXXCZZPKK-MDWZMJQESA-N 434.336 5.126 30 20 IKED COc1cc(C(=O)/C=C\c2cnc(-c3ccc(C)cc3)s2)ccc1S(=O)(=O)C(F)F 734304672 RSHNPVUSMFRSEH-HJWRWDBZSA-N 449.500 5.020 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F 741430037 INNVJQFTAOGKFC-CEXWTWQISA-N 444.453 5.161 30 20 IKED COc1ccc(/C=C(/Cl)c2nc(O)c3c(-c4ccc(C)s4)csc3n2)cc1C#N 741849247 VDDDMYNLCWYIJF-OVCLIPMQSA-N 439.949 6.051 30 20 IKED C#CCN(C(=S)Nc1cccc(OCC)c1)[C@@H]1CCOc2ccc(Br)cc21 742997862 GIPBJSJKQANBML-LJQANCHMSA-N 445.382 5.004 30 20 IKED C=CCCO[C@@H](C)C(=O)Oc1cc2ccccc2cc1C(=O)Nc1cc(C)ccc1OC 743448996 GOVVZOKKBQFSEG-SFHVURJKSA-N 433.504 5.296 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1sc(C2CCCC2)nc1C 744029412 SMZUNTHZBFEVOZ-AWEZNQCLSA-N 431.945 5.041 30 20 IKED C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 747108956 NBERJQOULSMAIX-CZUORRHYSA-N 433.961 5.143 30 20 IKED COc1cc(/C=C\C(=O)c2ccsc2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 749104487 LTLIBKVSPJPDMN-KXFIGUGUSA-N 445.899 5.463 30 20 IKED O=C(/C=C/c1cnc(-c2cccs2)s1)c1ccc(S(=O)(=O)C2CCCC2)cc1 751512921 HWFJIXKCJCNQDW-FMIVXFBMSA-N 429.588 5.484 30 20 IKED CO[C@@H]1Cc2ccc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2C1 752937161 LMGZBIXQGBEDSD-RUZDIDTESA-N 429.495 5.045 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N(Cc3ccc(F)cc3)C3CCOCC3)c2)s1 755723857 WZSBJZGGJRDWLS-UHFFFAOYSA-N 449.551 5.317 30 20 IKED COc1ccc2c(c1)C=C(S(=O)(=O)Nc1ccc([C@H](C#N)c3ccccc3)cc1)CC2 758148638 YMKODXGQJAABTG-RUZDIDTESA-N 430.529 5.080 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cnc(C(C)C)s1 758368259 VPFKDZASASQJHH-UHFFFAOYSA-N 428.970 5.549 30 20 IKED Cc1sc2ncn(N=Cc3ccc(Cl)c4cccnc34)c(=O)c2c1-c1ccccc1 760234581 IRLJQMUOCHVKJH-UHFFFAOYSA-N 430.920 5.517 30 20 IKED Cc1nn(CC(F)(F)F)cc1C(=O)O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 763524237 WUHKCEXCPSLCPD-GFCCVEGCSA-N 434.258 5.233 30 20 IKED O=C(C=C1CCC1)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 764754951 MOTNZLDJMSGQCU-UHFFFAOYSA-N 426.197 5.082 30 20 IKED FC(F)(F)c1ccc(C#CCSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1 768411627 KHAJHHFLEVKYJU-UHFFFAOYSA-N 440.450 5.144 30 20 IKED COc1cc(C(=O)/C=C/c2ccc(SCc3ccccc3)cc2)ccc1S(C)(=O)=O 771861120 VCNDOMLVTKEPMZ-GXDHUFHOSA-N 438.570 5.287 30 20 IKED CCC(=O)c1cc(C(=O)N(C)[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)ccc1F 783530537 AZIKONTYZAIVJN-KRWDZBQOSA-N 435.339 5.813 30 20 IKED C[C@@H](OC(=O)CCCCOc1cccc(C#N)c1)c1nnc(-c2cccc(Cl)c2)o1 783633213 JDHKJWPBQONLSJ-OAHLLOKOSA-N 425.872 5.115 30 20 IKED C#CCOc1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C)Sc3ccccc3)cc2)cc1 784612409 QLYDWUGLVGBCEC-GOSISDBHSA-N 430.529 5.129 30 20 IKED Cc1nc(C(C)(C)C)sc1C(=O)[C@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 787048675 GYFNSHWMYBKQDN-HZMBPMFUSA-N 438.380 5.256 30 20 IKED CC(C)OCc1ccc(C(=O)[C@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 787053715 RJDDFJAJCQJBFN-KUHUBIRLSA-N 433.335 5.118 30 20 IKED Cc1c([C@@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)oc2ccccc12 792345655 YQCPMBXKUATHDJ-WZONZLPQSA-N 437.499 5.213 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCC(c3cccc(Cl)c3)CC2)cc1C#N 797637536 YARSZZWVEGPEAP-UHFFFAOYSA-N 426.904 5.192 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(CCC)cc1)[n+]1cc(O)cc(-c2ccccc2)c1 811723842 NPIQFEAKKDTMSD-UHFFFAOYSA-O 445.608 5.676 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 812175999 NVPPQJBEKGZBLS-UTKZUKDTSA-N 428.367 5.090 30 20 IKED COc1cc2c(cc1NC(=O)CN[C@H](CCCC#N)c1ccccc1)oc1ccccc12 814656872 ALDPVVZDFYFINE-OAQYLSRUSA-N 427.504 5.558 30 20 IKED CCc1cc(NN=C(C)c2sc(Cc3ccccc3)nc2C)nc(-c2ccccn2)n1 814842127 SSRPCYMNBOTUSR-UHFFFAOYSA-N 428.565 5.293 30 20 IKED Cc1ccc(C(=O)CCC(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)s1 915101540 DJAGECGYUOIBNO-GOSISDBHSA-N 436.558 5.369 30 20 IKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(F)c1 915352832 KEAHAJDNXJAUCH-ZEQRLZLVSA-N 439.494 5.126 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2nc(NCc3ccco3)ncc2Cl)cc1 915862082 IYLKKGYYTHPEEB-HXUWFJFHSA-N 443.894 5.243 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 916913021 CSKWZMQHCGKXDG-NRFANRHFSA-N 445.544 5.304 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ncc(-c3ccc(C)cc3)o2)cc1 916914749 TXVAPXSQLXIHFL-QFIPXVFZSA-N 429.520 5.273 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1 916916674 ZMJNCNTUXMZAFD-OAQYLSRUSA-N 439.540 5.470 30 20 IKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCCC(C)C 916928168 VKFQJLKXBKIKIA-MRXNPFEDSA-N 449.334 5.388 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCC(=O)c2ccc3ccccc3c2)cc1 916954490 IIRAGUOMNCRRMQ-HOYKHHGWSA-N 426.516 5.664 30 20 IKED COc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916997900 ZWOXEDCYYQDWSR-KRWDZBQOSA-N 431.344 5.935 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)C(O)(c3ccccc3)c3ccccc3)c2)cc1 917344541 QNDWZJLCTFLGAA-UHFFFAOYSA-N 448.522 5.206 30 20 IKED Cc1cccc(N2C(=O)/C(=C\c3cccc(OCc4cccc(C#N)c4)c3)NC2=S)c1C 917360725 BMYZNWDJPWZFSN-OEAKJJBVSA-N 439.540 5.016 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3cc(Cl)ccc3Cl)n2)cc1 920141992 JIXAQWOWHBTQRD-HNNXBMFYSA-N 449.384 6.094 30 20 IKED CCO[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1 920325087 YGLAYELXZRGGKJ-JXFKEZNVSA-N 431.344 6.071 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccsc4)cc3)CCC2)c1Cl 1787284347 FDNJFDNVMBTEDE-UHFFFAOYSA-N 435.936 5.335 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc4cccn4cn3)cc2)CCC1 1789092616 GAMKOJGTIBAPQJ-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2)CCC1 1790278215 QWVHPTSQDAVNKA-UHFFFAOYSA-N 448.563 5.220 30 20 IKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cccc(F)c4F)cc3)CCC2)c1 1790329396 YAOBKIALYBVJMT-UHFFFAOYSA-N 449.432 5.037 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@]4(F)CCCC=C4F)CCC3)cc2)cc1 1790708197 UJAMNGFRHURBCE-SANMLTNESA-N 449.501 5.246 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(C4CC4)cc3)cc2)CCC1 1790783083 KPWBLKUIIJLHAJ-UHFFFAOYSA-N 432.564 5.295 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)c(F)cc4[nH]3)CCC2)cc1 1791729091 STCITNNEEMQLRB-UHFFFAOYSA-N 449.501 5.387 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(F)cc(F)c4F)cc3)CCC2)c1 1792128172 XRNCKYUWFGVQSO-UHFFFAOYSA-N 449.432 5.037 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c3ccccc3n3ccsc13)C2 1798334438 XLPLWFHLAHVBSZ-YRPNKDGESA-N 447.604 5.174 30 20 IKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1 1813227551 GLEMESJGFOKVGE-ZEQKJWHPSA-N 439.644 5.278 30 20 IKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)[C@@H](C)CC)[nH]n1 1822389940 OHCIFZHEAKSOPW-KIVTUJJHSA-N 434.584 5.035 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(F)c(F)c2C)n[nH]1 1823199246 LRALSFXDWBGRPU-JXFKEZNVSA-N 442.510 5.071 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)c(F)c2)CC1 1823750244 FIWALDHFCVQCPS-QHCPKHFHSA-N 446.582 5.119 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)cc2OC)CC1 1828829099 DGICRMRWWWVIKD-ISKFKSNPSA-N 438.612 5.005 30 20 IKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)o2)CC1)c1ccccc1 1829031253 WIHPDTJNMKWREZ-RPBOFIJWSA-N 446.591 5.019 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2)CC1 1830025881 RNXNLZZYFXQOIH-DHIUTWEWSA-N 429.004 5.342 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(C(C)C)cc2)CC1 1831599713 YWTBNVFPUZOTGX-HSZRJFAPSA-N 446.582 5.184 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)c(F)c2F)CC1 1832613683 LSMLSMAKBLKDDU-IFMALSPDSA-N 444.566 5.275 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2ccccc2)cc1C 14872551 UMIWRMYXKNOQCE-UHFFFAOYSA-O 445.486 5.540 30 20 IKED C[C@H]1CCc2sc(/C(O)=N/c3nnc(SCc4ccc(C#N)cc4)s3)cc2C1 21247774 MNXKCPUFNSYUAP-LBPRGKRZSA-N 426.592 5.525 30 20 IKED COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1F 21674867 UNNOHLZOKMRVSD-FNORWQNLSA-N 432.423 5.150 30 20 IKED C[C@@H](OC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)C(=O)N(CCC#N)c1ccccc1 21679317 IBYRCXPGINBNNS-YMNYDYPGSA-N 448.519 5.306 30 20 IKED C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 36023100 IAIOSLWJQKLSOJ-PXNCGERRSA-N 444.560 5.579 30 20 IKED CSc1nc(C)c(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(C)n1 72025262 SNWSMXFWIHSCRX-UHFFFAOYSA-N 432.549 5.359 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc(-c3ccccc3F)on2)cc1 108741230 KILAXTOZRCJHJJ-UHFFFAOYSA-N 429.426 5.334 30 20 IKED C=CCn1c(SCc2ncc(-c3ccc(Cl)cc3)o2)nnc1-c1ccccc1F 216283480 JGIGYVHTRXIUTQ-UHFFFAOYSA-N 426.904 5.871 30 20 IKED Cc1cn2c(CN(C)C(=O)c3ccccc3SCc3ccc(C#N)cc3)c(C)nc2s1 217125049 VOBALIPZLDKHAH-UHFFFAOYSA-N 446.601 5.449 30 20 IKED N#Cc1c(NC(=O)c2cc(Br)sc2Br)sc2c1CCCC2 227265036 SWIKYBSWBBSBDT-UHFFFAOYSA-N 446.189 5.337 30 20 IKED CC[C@@H]1Oc2cc([C@@H](C)NCc3cccc(OCc4cccc(C#N)c4)c3)ccc2NC1=O 236979415 WZJUXZBXKBOVSW-CJAUYULYSA-N 441.531 5.098 30 20 IKED N#Cc1ccc(NCc2coc(-c3ccccc3)n2)nc1NCc1coc(-c2ccccc2)n1 302627705 BKAUFFOTIBVGSZ-UHFFFAOYSA-N 448.486 5.487 30 20 IKED CN(C(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 409911913 PWIAYFMSDGSNKL-UNMCSNQZSA-N 438.453 5.171 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1-c1ccccc1 428709346 JKKAJGUSEDSMEV-UHFFFAOYSA-N 433.471 5.380 30 20 IKED C[C@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1nc(-c2ccccc2)cs1 428712269 QCLQKUCQZFIFAT-KRWDZBQOSA-N 427.533 5.078 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@@H](c4ccc(F)cc4)C3)c2)cc1 431879672 FBNNEZOKKKNXPJ-JOCHJYFZSA-N 429.495 5.492 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2Cc3ccccc3O[C@@H](C)C2)cc1 432848696 WYWOWTSXHFPXJO-KRWDZBQOSA-N 429.476 5.174 30 20 IKED N#CCCC[C@@H](NCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1 433014301 ROFRLAVXAYDBQZ-FGZHOGPDSA-N 430.379 5.682 30 20 IKED CC(=O)N(c1nc(COc2ccc(C#N)c(Cl)c2)cs1)c1c(C)cc(C)cc1C 438902716 UFLPRVBMHBYYIS-UHFFFAOYSA-N 425.941 5.857 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(C)c2ccc(C#N)cc2)c(OC)c1 439930214 XLRWWPCPYWYQKK-UHFFFAOYSA-N 439.515 5.319 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C[C@@H](C)O)[C@@H](C)Cc1ccc(Cl)cc1 441624894 LCMRCEIMDQLHTM-KSZLIROESA-N 446.016 5.580 30 20 IKED Cc1nc(-c2ccc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cc2)cs1 442026916 HLPYJJMQKNKYCO-MRXNPFEDSA-N 446.557 5.198 30 20 IKED CC(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 442203236 RSZINLMERWXREO-UHFFFAOYSA-N 445.494 5.113 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c2ccccc21 444024369 XCJLYNQPETXPTD-UHFFFAOYSA-N 446.894 5.696 30 20 IKED CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)n1 467611185 SIWAXNVRKMFQAN-KRWDZBQOSA-N 449.511 5.131 30 20 IKED COc1cccc([C@@H](C)CCCC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 468808921 DCGNKQPOMVKAAW-IBGZPJMESA-N 433.552 5.191 30 20 IKED Cc1ccc(C(F)(F)F)cc1NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F 470240609 XIFSYWDKXGSUGO-UHFFFAOYSA-N 431.311 5.610 30 20 IKED COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 472796874 UXXIIUVRZZKIQY-VWNXMTODSA-N 442.515 5.091 30 20 IKED COC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 474505321 GVODVQVSEHAWNE-JOCHJYFZSA-N 445.519 5.081 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(-c2nccn2CCCC)c1 477944422 VKEOWXCBUWXOGM-UHFFFAOYSA-N 434.588 5.738 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c(OC)c1 480411617 ZKBMIKLWCCDUSQ-UHFFFAOYSA-N 447.491 5.040 30 20 IKED C=CCn1c(Sc2ncnc3cccc(F)c23)nnc1-c1ccc(Br)cc1 480437189 WUWLSWCSVUGJLO-UHFFFAOYSA-N 442.317 5.127 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(OC)cc3)n2)nnc1-c1cccc(OC)c1 481395691 AYECQVFMTAPXAZ-UHFFFAOYSA-N 434.521 5.096 30 20 IKED COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)[C@@H](C#N)c1nccc2ccccc12 483233623 JBSNLFIRYRUEJU-QHCPKHFHSA-N 444.494 5.586 30 20 IKED C[C@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)Oc1ccccc1Br 483648850 VUSDVSFRHDDSMQ-HUUCEWRRSA-N 448.386 5.432 30 20 IKED O=C(NC[C@H](c1ccccc1)C(F)(F)F)c1cnn(-c2ccccc2F)c1C(F)(F)F 485591664 HQRAEYCTKUKTCM-CQSZACIVSA-N 445.338 5.106 30 20 IKED C[C@@H](Cc1cncc2ccccc12)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 485656060 NEIASBFJBMQBSS-SFHVURJKSA-N 434.499 5.176 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2noc(C(F)(F)F)n2)c1 490460384 XVKVXUBTNRATQG-UHFFFAOYSA-N 429.402 5.071 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3ccccc3-c3c(F)cccc3F)C2)n1 494497389 RKNIJHHIZSDDQB-SFHVURJKSA-N 432.474 5.062 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CSc2ccc(C#N)cn2)cs1 498157916 SSDPJSWWTXCAQA-UHFFFAOYSA-N 434.468 5.405 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)NCc1cc(-c2c(OC)ccc3ccccc23)no1 498830033 DYEJNVCRVIRFSB-UHFFFAOYSA-N 445.494 5.540 30 20 IKED CC(C)CN(C)c1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 499777753 DGLGNQUILYFJGO-UHFFFAOYSA-N 427.548 5.676 30 20 IKED CC(C)c1cc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c2cnn(C(C)C)c2n1 501115728 GTWKUBDEGRZZCJ-UHFFFAOYSA-N 430.537 5.383 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC1(c2ccc(F)cc2)CCOCC1 504049991 FEGQOAQKPOKVRD-UHFFFAOYSA-N 445.494 5.626 30 20 IKED Cc1nc(-c2ccc([C@@H](C)NC(=O)NCCSCc3ccccc3C#N)cc2)cs1 504165286 NZEGGHATPJYYQY-MRXNPFEDSA-N 436.606 5.284 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 505955605 YPJWVVIDYUNOEK-UHFFFAOYSA-N 446.482 5.059 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](COc3ccccc3)C2)cc1Cl 506361926 FZRTYOLGWMPHKW-NTKDMRAZSA-N 445.950 5.928 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ncc(-c3ccccc3)s2)cc1 507238950 RXDFYSBAZKYDLW-UHFFFAOYSA-N 427.554 6.226 30 20 IKED CCOc1cc(NC(=O)c2cccc(C#N)c2C)c(OCC)cc1NC(=O)c1ccccc1 509026194 GZJRBYGBUXINOZ-UHFFFAOYSA-N 443.503 5.169 30 20 IKED COc1ccc(OCCN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 510023248 KTHVHHSDDGGECR-QHCPKHFHSA-N 449.938 5.547 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc(Br)s2)cc1Cl 510041264 NDUVIXLBUINKHI-KRWDZBQOSA-N 445.769 6.001 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cccc(CN2CCCC2)c1 510718889 OPBUFQDDTTWSFW-UHFFFAOYSA-N 440.547 5.577 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2ccccc2C(F)(F)F)cc1 510987383 ZGNJUUIBUXEGCB-UHFFFAOYSA-N 431.458 5.184 30 20 IKED Cc1ccc(C)n1C1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 512596803 GTDGEKKFSDTHOE-UHFFFAOYSA-N 429.589 5.746 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1OC 512963809 IYTXEULCZWPARL-OAHLLOKOSA-N 427.913 5.146 30 20 IKED CN(C(=O)c1cccc(COc2ccccc2C#N)c1)c1ccc(Br)cc1F 513301195 LQFROCROFHZWMK-UHFFFAOYSA-N 439.284 5.315 30 20 IKED Cc1cccc(-n2ncc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)c2C(F)(F)F)c1 513686862 HHNLQGHHWCRHFP-CQSZACIVSA-N 426.423 5.299 30 20 IKED Cc1nn(-c2ccccc2)c2sc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc12 515543816 XIARSFHZWJTMJG-LJQANCHMSA-N 440.553 6.009 30 20 IKED Cc1ccc(S(=O)(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(Cl)c1 515695351 IKEZKJCYPVHNIQ-UHFFFAOYSA-N 426.925 5.094 30 20 IKED Cc1nc(NC(=O)[C@@H](Sc2cc(F)ccc2F)c2ccccc2)sc1SCC#N 520714279 LLHPFAKQDZOLKN-KRWDZBQOSA-N 447.557 5.818 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3nc(-c4cccc(Cl)c4)no3)cc2)c1 522464523 UTPJCDFNDPEDFU-UHFFFAOYSA-N 445.866 5.376 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ncc(Cc3cccc(F)c3)s2)c1 522473107 BHFSIPIUAKSOII-UHFFFAOYSA-N 433.464 5.169 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(NC(=O)CC)ccc1Cl 523500923 ZZUADIQOVJMUOE-UHFFFAOYSA-N 426.822 5.524 30 20 IKED C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F 523535329 JIKNLVWCOTZBNF-LLVKDONJSA-N 434.892 5.411 30 20 IKED CC(=O)N(CCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)Cc1ccccc1 523867051 ODSCVEWOVPUWPR-UHFFFAOYSA-N 427.504 5.036 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)o2)cc1 524140747 OBGPOYGNBQJWQE-UHFFFAOYSA-N 446.444 5.014 30 20 IKED CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)Nc3cc(C#N)ccc3OC(F)F)c12 524381865 YJPRCPIHOLMTGK-UHFFFAOYSA-N 440.450 5.414 30 20 IKED CN1C(=O)CC[C@@H](C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 524526573 NNUXSQJBHLITID-CTNGQTDRSA-N 443.469 5.055 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(C4(C#N)CC4)cc3)cc2Cl)c1 537414333 ITOQCHFWUQXKGX-UHFFFAOYSA-N 427.891 5.598 30 20 IKED C[C@H](Nc1ccc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)cc1[N+](=O)[O-])c1ccccn1 539175285 ZTNLSNKCWWLNMQ-AWEZNQCLSA-N 449.536 5.646 30 20 IKED CC1(C)CC[C@H]2C[C@H](NC(=O)C(=O)Nc3ccccc3SCCC#N)c3cccc1c32 539585127 SLFDUWFSFDQTCG-JXFKEZNVSA-N 433.577 5.047 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cc(Br)ccc2Cl)n1 542050430 DMMHILQIXNDRAW-UHFFFAOYSA-N 436.096 5.066 30 20 IKED CCC(=O)Nc1cccc(CNC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 543016990 ILCNFMNCQIDWNP-GOSISDBHSA-N 426.520 5.134 30 20 IKED CC(C)c1oc([C@@H]2CCCN2S(=O)(=O)CC2(C#N)CCCC2)nc1-c1ccccc1 544713332 IVBHVXOQUCANLR-IBGZPJMESA-N 427.570 5.016 30 20 IKED CN(C)C(=O)c1cccc(-c2noc(-c3ccc(Sc4ccccc4C#N)cc3)n2)c1 545572587 VBIZLHVYDGXCLR-UHFFFAOYSA-N 426.501 5.128 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)NC3(c4cccc(C(F)(F)F)c4)CC3)s2)cc1 551062615 ODIXZOJLPMCVLN-UHFFFAOYSA-N 442.466 5.435 30 20 IKED Cc1ccc(-c2c(C)sc3nc(CNC4(c5cccc(C#N)c5)CC4)nc(O)c23)cc1 551405819 BNJSAGDHBXTYRV-UHFFFAOYSA-N 426.545 5.331 30 20 IKED COC1(C)CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CC1 553293685 BXTPZNYNHRCPCX-UHFFFAOYSA-N 433.430 5.402 30 20 IKED N#Cc1ccnc(Sc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)c1Cl 557474844 WBSBNDNPGCEMCS-UHFFFAOYSA-N 428.304 5.311 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1 557701053 WKISTCNRWDIPQO-INIZCTEOSA-N 445.363 5.046 30 20 IKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N(Cc2ccccc2)c2ccccc2C#N)cc1 557723630 MHVQHXGJUCUUFS-FQEVSTJZSA-N 443.572 5.160 30 20 IKED C=C(C)[C@@H](NC(=O)Nc1cccc(F)c1Cn1cccc(C)c1=O)c1ccc(F)c(F)c1 566644311 QWLCHHJIMCIEES-JOCHJYFZSA-N 441.453 5.061 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 566754692 KEUQLVXUNPUPOR-NRFANRHFSA-N 429.564 5.403 30 20 IKED C=CCN1CCC(NCc2ccc(OCc3c(F)cccc3Cl)c(OCC)c2)CC1 592291245 YDOYWIBOQQYROJ-UHFFFAOYSA-N 432.967 5.197 30 20 IKED COC(=O)CCSc1cc(Cl)ccc1NCc1ccc(C#N)cc1C(F)(F)F 600851926 RZMGTVUSPUWOEU-UHFFFAOYSA-N 428.863 5.498 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)c(C)c2c1 603469167 ARSMNBIAADFTIY-SFHVURJKSA-N 429.303 5.564 30 20 IKED C=CCN(C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603750984 ZYPXFSKFRJFWMC-GJZGRUSLSA-N 439.459 5.606 30 20 IKED N#Cc1ccc(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1Cl 603971533 VSJTUIFPLJLBOV-LJQANCHMSA-N 442.327 5.321 30 20 IKED C=CC[C@H](C)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C 604880758 NIWJRXFUROGCBS-ZDUSSCGKSA-N 427.401 5.081 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H](C(=O)c4ccc(F)cc4)C3)c2)cc1 606572229 JUIDAKHBONBHRS-HXUWFJFHSA-N 443.478 5.616 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 608785658 JBVGMOOUWXUEIX-LJQANCHMSA-N 431.511 5.569 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3cc(C#N)ccc3OC(F)F)c12 609066923 PFZRTQNUDAVXNJ-UHFFFAOYSA-N 441.482 5.344 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 609296249 OIVAFKYXRZSOOS-JOCHJYFZSA-N 433.483 5.040 30 20 IKED Cc1ccc(-c2nc(CSCC(=O)Nc3ccccc3SC[C@@H](C)C#N)co2)cc1 609389029 VAJABTOVPLASHP-KRWDZBQOSA-N 437.590 5.774 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)s1 609414969 QLTWIJRGKUWHEG-AWEZNQCLSA-N 437.468 5.002 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 609430216 CDBUUGZIOZUZER-IAGOWNOFSA-N 440.544 5.103 30 20 IKED C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1nc2ccccc2n1C(F)F 609434762 OUAXUTYIQVSMLS-KGLIPLIRSA-N 429.496 5.708 30 20 IKED Cn1ccnc1C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccccc1 610322216 ZVBAVDWXYBCPFI-QHCPKHFHSA-N 437.503 5.190 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C[C@H](C(F)(F)F)O1 610415753 JABFXYBVLAVESR-XVGQJIODSA-N 437.849 5.179 30 20 IKED C[C@@H](c1ccc(F)cc1)N(C)C(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCC2 612945352 GEFABLSCENVPCK-HNNXBMFYSA-N 435.524 5.153 30 20 IKED N#C[C@H](C(=O)c1ccc(-n2cccn2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346503 LITCZZYHOFZLTQ-QGZVFWFLSA-N 439.327 5.793 30 20 IKED N#C[C@H](C(=O)c1cccc(NC(=O)NC2CC2)c1)c1nc2cc(C(F)(F)F)ccc2s1 614470937 UOUBQGAKKAIUHW-OAHLLOKOSA-N 444.438 5.089 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1CN1CCc2ccccc21 615533984 LEXQTFGGQNZRLP-UHFFFAOYSA-N 427.548 5.478 30 20 IKED COc1ccc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1 618542868 HSOBKZWXDIVBHZ-RKDXNWHRSA-N 438.290 5.309 30 20 IKED CCCN(Cc1ccccc1F)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 622093047 UYSNAJPKHRUQIF-KBPBESRZSA-N 428.392 5.657 30 20 IKED C=CCOc1ccc(C(=O)N[C@H](C)c2ccc(OC3CCCC3)c(OC)c2)cc1OC 642678062 BWOFDXCYZGYIID-QGZVFWFLSA-N 425.525 5.081 30 20 IKED C=CCn1c(SCc2ccc(OCc3ccncc3)cc2)nnc1-c1cccc(OC)c1 676074823 FFDCNCTYHYXXJC-UHFFFAOYSA-N 444.560 5.406 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cnn(-c2ccccc2)c1 725743861 DNOAHSJKPJNTGL-UHFFFAOYSA-N 445.935 5.155 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)O[C@H](C)c1cccc(C#N)c1 727635509 IZFORZXIYINMRA-HUUCEWRRSA-N 426.925 5.793 30 20 IKED Cc1csc(SCc2c(C(=O)NCc3ccc(OCC#N)cc3)oc3ccccc23)n1 727678357 ATEXGKHJFWDXIL-UHFFFAOYSA-N 449.557 5.322 30 20 IKED N#C[C@@H](C(=O)/C=C\c1cccc(OC2CCCC2)c1)C(=O)Nc1ccc(F)c(Cl)c1 727953980 JUQXYLUASJZVTQ-POGDKVGISA-N 426.875 5.161 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/Oc3c(cccc3C(C)(C)C)C2=O)cs1 727974581 KQTXIRJISKHNDU-UDWIEESQSA-N 436.508 5.881 30 20 IKED COc1ccc(C)cc1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1C 728063147 XKXROSDROSLAME-LJQANCHMSA-N 429.520 5.202 30 20 IKED COc1cc(/C=C2/CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)cc(OC)c1O 728438166 BJWUOPXCMJRZGW-ZROIWOOFSA-N 427.909 5.399 30 20 IKED Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2CNCc2ccc(OCC#N)cc2)cc1 729685342 KQMNXHUWRAEYAF-UHFFFAOYSA-N 426.495 5.179 30 20 IKED COC(=O)Nc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 733147093 VYBWHRHCPAEKPO-UHFFFAOYSA-N 435.867 5.221 30 20 IKED C=CCc1cc(OCC)cc(CN2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c1O 734141031 BVOKJYBBVAPULE-UHFFFAOYSA-N 433.470 5.032 30 20 IKED CC(=O)c1cccc(NC(=O)COC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 735165779 QRWNWVXGHFNCFV-UHFFFAOYSA-N 448.862 5.002 30 20 IKED N#CCOc1ccc(Cl)cc1CSc1n[nH]c(-c2ccccc2Br)n1 735230379 KDTVPPMCMARQDF-UHFFFAOYSA-N 435.734 5.082 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)NCC2(c3cccs3)CCCCC2)ccc1OC 740478659 IJNXYOPNPGYRLT-IBGZPJMESA-N 441.597 5.139 30 20 IKED Cc1cc(/C=C\C(=O)c2ccc(S(=O)(=O)CC(F)(F)F)cc2)c(OC(F)F)cc1C 742434618 LPGUAZRSPRXQHK-YVMONPNESA-N 448.409 5.137 30 20 IKED CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C#N)o2)NC(=S)N1c1ccc(C)c(C)c1 743744796 OBDRXHALTJYYHN-QHCPKHFHSA-N 442.544 5.117 30 20 IKED C/C(=C/C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1C(F)(F)F 745270990 FVPRJQVGXZGODF-UKVQZPPCSA-N 448.466 5.101 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)n1 747198158 UGKQOPRZIYJEEQ-LJQANCHMSA-N 438.936 5.406 30 20 IKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)COC(=O)c3cccc(Cl)n3)c2C#N)C1 750162411 QAOWIYXHGQMQRU-ZDUSSCGKSA-N 445.972 5.005 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)C3(c4ccc(Cl)c(Cl)c4)CCC3)o2)cc1 750387243 FKIIKUHBVKGQCH-UHFFFAOYSA-N 428.275 5.080 30 20 IKED O=C1/C(=C/c2nc(-c3cc(Cl)ccc3Cl)cs2)CS(=O)(=O)c2ccccc21 753897710 YLSAYEXHJYDFLL-YRNVUSSQSA-N 436.341 5.171 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C 753909706 SQCOCCIDKCFRTA-UHFFFAOYSA-N 434.540 5.298 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(F)c(C(F)(F)F)c1 755518389 JXLOUVSNBLKQBQ-UHFFFAOYSA-N 431.414 5.474 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NOCc2ccc(C(F)(F)F)cc2)cc1 755755992 KBJPPGLXZDUPOW-NRFANRHFSA-N 425.410 5.614 30 20 IKED C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl 764306105 QAIPMQCHJJVWEB-JTQLQIEISA-N 447.303 5.441 30 20 IKED N#CCCCn1cc(C(=O)N2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)c2ccccc21 768060799 SSMWEWPGRJPEQR-ATIYNZHBSA-N 429.564 5.454 30 20 IKED N#CCCn1cc(CN(Cc2ccccc2)C[C@@H](O)c2cccs2)c(-c2ccccc2)n1 769545239 MUAOQWLFCZQNOI-XMMPIXPASA-N 442.588 5.261 30 20 IKED CN(C)C(=O)Nc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(Cl)c1 772059028 TZWQYABMHVSFNS-NRFANRHFSA-N 432.911 5.341 30 20 IKED CC(C)CN(C(=O)Cc1ccccc1CC#N)c1nc(-c2ccccc2[N+](=O)[O-])cs1 777109906 JPWZGCCXTIXOKF-UHFFFAOYSA-N 434.521 5.016 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cnc(-c2ccc(F)c(F)c2)s1 780305741 NTOHIPHKPZQGAT-MRXNPFEDSA-N 433.439 5.203 30 20 IKED C=CC[C@@H](NC(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1)c1ccncc1 787242923 POCCRBVVNHJKBM-RUZDIDTESA-N 427.548 5.059 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 791772098 WDPKRQQDUUMBQH-QGZVFWFLSA-N 425.275 5.093 30 20 IKED CCCOc1ccc(C(=O)Nc2ccccc2O[C@@H](C)C#N)c(OCc2ccccc2)c1 792546533 BFGLBIWFNIHJGH-IBGZPJMESA-N 430.504 5.598 30 20 IKED CN(C)C(=O)c1ccc(C(=O)/C=C\c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 792924879 HOZIOKCJBBFJMN-DXNYSGJVSA-N 434.423 5.124 30 20 IKED Cc1nc(-c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2)cs1 799602542 UNYZUNZUAXADKG-HNNXBMFYSA-N 430.316 5.387 30 20 IKED C#CC[C@@H](Cc1ccccc1)NC(=O)c1cc(Cl)c(NC(=O)OC(C)(C)C)cc1OC 804453289 DAYKCEADRYLJTN-KRWDZBQOSA-N 442.943 5.060 30 20 IKED C[C@@H](Cc1cncc2ccccc12)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 805853210 HTAGXFAQOBUJCQ-XOBRGWDASA-N 439.487 5.076 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1 810370904 RETCWPJUAZOTGQ-YTQUADARSA-N 443.613 5.303 30 20 IKED CC(C)(C(=O)[C@@H](C#N)c1nc2ccccc2s1)c1csc(-c2cc(F)ccc2F)n1 810520077 AAFDKJGVUATJHJ-CQSZACIVSA-N 439.512 5.852 30 20 IKED Cc1cc(C(C)(C)C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)ccc1Br 813211250 GVQKJCWGMRJLJA-AWEZNQCLSA-N 425.248 5.325 30 20 IKED C=CCC(F)(F)C(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1 815311416 JUAZEMRILLSZDT-UHFFFAOYSA-N 428.888 5.353 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)O[C@@H](c3nc4ccccc4o3)C(F)(F)F)cc2)nc1 816063587 OBGCHYDPUHUXDJ-IBGZPJMESA-N 439.349 5.347 30 20 IKED N#CCCCn1cc(C(=O)N[C@@H]2CCc3nc(C4CCCCC4)[nH]c3C2)c2ccccc21 816398894 JZFSTDATDHXXTE-LJQANCHMSA-N 429.568 5.003 30 20 IKED Cc1ccc(-c2cc(C(=O)Nc3c(C)c(C#N)nn3-c3cccnc3)c3ccccc3n2)cc1 821639899 RHYSWQYDNUHDQZ-UHFFFAOYSA-N 444.498 5.223 30 20 IKED Cc1cc(CSc2ccccc2C(=O)Nc2cccc(C#Cc3cccs3)c2)on1 861240705 DPWGYGCMZRQOEU-UHFFFAOYSA-N 430.554 5.989 30 20 IKED CC(C)n1ncc2cc(C=NN=C(C(=O)c3ccccc3)c3ccccc3)c(Cl)nc21 873851213 IKCBTMZIKYZMIX-UHFFFAOYSA-N 429.911 5.372 30 20 IKED N#C[C@@H](C(=O)CCCc1c[nH]c2ccccc12)c1nc2cc(C(F)(F)F)ccc2s1 915104220 NKIGLTABNUZQEX-INIZCTEOSA-N 427.451 5.996 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)[C@@H](C#N)c1nc2ccccc2o1 915104450 AJWAXENSCLQANB-CQSZACIVSA-N 425.275 5.178 30 20 IKED CCOc1cc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)cc(Cl)c1O 916333105 CYSPTTAVBJXBKI-UHFFFAOYSA-N 443.743 5.181 30 20 IKED N#CCOc1cccc(NC(=O)N2CCC(CCc3cccc(C(F)(F)F)c3)CC2)c1 916708648 FWVBTVODUHKJDO-UHFFFAOYSA-N 431.458 5.484 30 20 IKED C[C@@H](Oc1cccc(Cl)c1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916907588 YVLNHKKIBSQHHI-OXQOHEQNSA-N 434.879 5.247 30 20 IKED N#C[C@@H](C(=O)CCCOc1ccc(Cl)cc1)C(=O)Nc1ccccc1Oc1ccccc1 916907978 KGGMKGKXIXXZEL-NRFANRHFSA-N 448.906 5.639 30 20 IKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1sc2cccc(Cl)c2c1Cl 916937617 DKGMELGSTPCWTO-VIFPVBQESA-N 441.698 5.962 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1)c1nc(-c2ccccc2)cs1 917429057 HSUMNHDPKBQMKO-MSOLQXFVSA-N 448.523 5.070 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(OCC2CC2)cc1 920108889 KVENEFABYDKIJU-QFIPXVFZSA-N 426.472 5.229 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3c(Cl)cccc3Cl)n2)cc1 920141714 HPCGEANTVBAWCD-AWEZNQCLSA-N 433.316 5.381 30 20 IKED COc1cc(C)cc2c1OC/C(=C\c1csc(N(C(C)=O)c3ccc(C)cc3)n1)C2=O 920388773 FMFNEXWEJVAQMR-GZTJUZNOSA-N 434.517 5.112 30 20 IKED COc1ccc2cc(/C=C/C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)ccc2c1 920803971 HTKJDWUUNGOQLJ-ZAOIQFLMSA-N 446.478 6.140 30 20 IKED Cc1cnc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)s1 1787216701 OBLRHMXQHXXYAN-INIZCTEOSA-N 444.560 5.140 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(OCCC)cc3)CC2)C1 1805457573 GKZCVEVQQNDGGR-UHFFFAOYSA-N 438.612 5.089 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)[C@H]1c1cccnc1 1812900052 XNEHRPFYPPUNAE-LUGTWXOSSA-N 439.644 5.296 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3cnccc3c2)[nH]n1 1814829384 OCRZDPDGWQKWAP-QHCPKHFHSA-N 443.551 5.032 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)n[nH]1 1818931459 PBXXIFMMMYDQOH-DNVBULBTSA-N 426.605 5.221 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ccoc23)[nH]n1 1819308898 GWZMRHWFLHVRAC-NQIIRXRSSA-N 432.524 5.230 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sccc2OCC)CC1 1823646661 IYURWIWNXFCUCL-RTWAWAEBSA-N 444.641 5.149 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)c(F)c2C)CC1 1828829305 GSABBZFCYVBAJR-OFNKIYASSA-N 444.566 5.275 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccsc3[nH]2)CC1 1830886719 IAPNFTYHRUTIMD-NRFANRHFSA-N 441.641 5.455 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(Cl)cc2)cc1 10832093 LZJOCCOXMLHMQR-UHFFFAOYSA-O 445.942 5.909 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2cccc(C(F)(F)F)c2)[n+]2cccc(O)c2)c1 11128906 LXMXXEVOKHZTLI-UHFFFAOYSA-O 445.486 5.366 30 20 IKED C=CCn1c(SCC(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccc(OC)cc1 22011936 BITDXYSEXFZJJD-UHFFFAOYSA-N 436.581 5.302 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2Cl)nc2sc(C)c(C)c2c1=O 23405014 ITSBZFGGINZWGK-CQSZACIVSA-N 448.013 5.342 30 20 IKED Cc1cccc(C)c1N/C(S)=C(/C(=O)c1ccccc1Br)[n+]1ccccc1 36275071 WHRZBXLSLLYHLP-UHFFFAOYSA-O 440.386 5.404 30 20 IKED Cc1sc2nc([C@H](C)Nc3ccc(OCc4cccc(C#N)c4)cc3)[nH]c(=O)c2c1C 97543275 AEOJXDCTYWNIAZ-HNNXBMFYSA-N 430.533 5.225 30 20 IKED C=CCOc1c(Br)cc(CNC2(c3nc(C)cs3)CCCC2)cc1OC 237346159 KIXLIULXLQPTEW-UHFFFAOYSA-N 437.403 5.347 30 20 IKED C[C@H](C#N)Oc1ccc(CNC[C@@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 237595415 MDAPJVUKVAMMLQ-DHJUGAMNSA-N 431.502 5.169 30 20 IKED Cc1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c(OC[C@H]2CCCO2)c1 303652924 UQVSHALFTZSGLT-XMMPIXPASA-N 442.515 5.256 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(F)ccc2SCC(F)F)o1 303772038 QUMSAFROORFNJS-UHFFFAOYSA-N 432.423 5.479 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cc2ccccc2s1 410393729 YFCDLYYZQZRMRQ-MRXNPFEDSA-N 441.512 5.381 30 20 IKED Cc1c([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)oc2ccccc12 426675473 SLADIBLELRSVQG-QGZVFWFLSA-N 439.471 5.221 30 20 IKED COc1cccc(/C=C(/CC(=O)N2CCC(C)(C#N)CC2)c2nc3ccccc3s2)c1 427477342 XVARIFHFNYWNCN-RGEXLXHISA-N 431.561 5.388 30 20 IKED CCOc1ccc([C@H](CNC(=O)c2cscc2C#N)c2c[nH]c3ccccc23)cc1OC 432042115 NNZLHUVVCNHNRM-IBGZPJMESA-N 445.544 5.070 30 20 IKED N#CCCC[C@H](NC(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1)c1ccccc1 433144133 BDQAQWMJLMKHIW-DLLPINGYSA-N 431.561 5.551 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](Sc2cccc(Cl)c2)C1 433145802 IWZDSSYILAWOFA-YJBOKZPZSA-N 432.014 6.133 30 20 IKED CN(C)C(=O)Nc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c(Cl)c1 435062297 YTCHNAFGLWUCGY-UHFFFAOYSA-N 430.961 5.278 30 20 IKED CC(C)[C@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1cccnc1 436129750 HZWJVJKTBVSPRS-IBGZPJMESA-N 444.482 5.398 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 437772616 JLBWLBNYQJOPDT-NVXWUHKLSA-N 437.393 5.193 30 20 IKED CCc1ccc([C@@H](COC)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)o1 437971504 FQEUVDSNRBFATA-HSZRJFAPSA-N 433.508 5.110 30 20 IKED N#Cc1cc(NC(=O)NCCC2CCOCC2)ccc1Oc1ccc(C(F)(F)F)cc1 438541125 NFRKKBIMADWTRY-UHFFFAOYSA-N 433.430 5.308 30 20 IKED Cc1ccncc1N1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 439348970 LJYHGXUWCRQNGW-QFIPXVFZSA-N 445.954 5.053 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3ccccc3OC3CCCC3)c2)cc1 439381030 ASTJYYANYPHLAL-UHFFFAOYSA-N 441.487 5.249 30 20 IKED N#CCC[C@@H](NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1ccccc1 439678837 RFIJROJSLMONEK-HSZRJFAPSA-N 426.545 5.401 30 20 IKED CCCc1c(NC(=O)N(C)Cc2ccc(Cl)c(F)c2)cnn1-c1cccc(C#N)c1 439686536 UBVIRQZCXYZVAO-UHFFFAOYSA-N 425.895 5.153 30 20 IKED N#Cc1cc(NC(=O)C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)ccc1F 440761580 XIKBKGMMYNEZSD-UHFFFAOYSA-N 443.356 5.086 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)Cc2csc(-c3ccc(C)cc3)n2)c1C#N 445571055 KNOBSPMRMBSMJF-UHFFFAOYSA-N 445.573 5.079 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(Cc3ccc(F)cc3)no2)nnc1-c1cccc(C)c1 445589018 PNJKNDLXCCLLGC-INIZCTEOSA-N 435.528 5.406 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3cnc(Cc4ccccc4)s3)s2)cc1 445674802 JAXDJYQYBSIFKI-UHFFFAOYSA-N 449.586 5.002 30 20 IKED C=C(C)Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C 460767985 GQHKREPUQLFWAI-AZUAARDMSA-N 437.613 5.643 30 20 IKED C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2cc(Cl)cc(Cl)c2[C@H]1C 460964446 UDXPSOJIBXOEJC-HUUCEWRRSA-N 439.387 5.009 30 20 IKED Cc1cccc([C@@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)c1 461726079 HVQPIXDOFGRTSE-ZEQRLZLVSA-N 427.552 5.036 30 20 IKED CN1CCC[C@@H](CNCc2cccc(OCc3cccc(C#N)c3)c2)[C@@H]1c1cccs1 462731358 NBYWRELSGGPEJI-JYFHCDHNSA-N 431.605 5.371 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(-c4noc(C5CC5)n4)c3)cc2)c1 463476808 BUXYOTHYOSGNMT-UHFFFAOYSA-N 436.471 5.317 30 20 IKED N#CCC[C@H](NC(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1ccccc1 464309943 JEQYJLXILAHIJK-PMACEKPBSA-N 434.540 5.671 30 20 IKED CC(=O)Nc1cccc2c1CCCN2C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 464935243 LTJDTUJUPJBZGC-UHFFFAOYSA-N 425.488 5.210 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccc(-c2ccccc2OC)cc1 466088071 SKLXPGLKQRLERR-IBGZPJMESA-N 445.519 5.729 30 20 IKED N#CCCn1cc(C(=O)Nc2cc(Cl)c(Cl)cc2F)c(-c2ccc([N+](=O)[O-])cc2)n1 466578584 SNLGIEQWRABDJY-UHFFFAOYSA-N 448.241 5.070 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC[C@]3(C2)OCc2ccccc23)c1 471606919 WAOUAJDLKBBCSS-RUZDIDTESA-N 430.891 5.276 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl 475553697 GDWCMSCRXALISP-MRXNPFEDSA-N 437.367 5.407 30 20 IKED C=C(C)[C@H](NC(=O)C(=O)Nc1cc(Cl)c(OCC)c(Cl)c1)c1ccc(F)c(F)c1 477676306 FQPZSLIDJLRIOL-KRWDZBQOSA-N 443.277 5.042 30 20 IKED CCN(C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1)CC(F)(F)F 480586758 KLAYFQFEHZDLRT-SFHVURJKSA-N 446.473 5.089 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 481903339 YYGLYWLJAUNWBH-UHFFFAOYSA-N 428.492 5.332 30 20 IKED N#Cc1cc2c(nc1NC(=O)c1ccc(Cl)c(NC(=O)c3cccs3)c1)CCCC2 484149009 WAYDZBFXLFEYME-UHFFFAOYSA-N 436.924 5.052 30 20 IKED CC(=O)c1cc(NC(=O)N[C@@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)ccc1F 486786597 MIMZGVYBLSDWPD-HNNXBMFYSA-N 438.299 5.352 30 20 IKED Cc1cc(C)c(C(=O)N[C@@H](CCCC#N)c2ccccc2)cc1I 487210027 MGPHYJYSOPQQFZ-IBGZPJMESA-N 432.305 5.073 30 20 IKED N#Cc1cc(NCc2nnc(-c3ccc(Br)o3)o2)ccc1Oc1ccccc1 488138888 XSLRGLOCBFADOD-UHFFFAOYSA-N 437.253 5.368 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC23CCC(C(F)(F)F)(CC2)CC3)cc1 488386792 MWYHDTLRTIHSKL-UHFFFAOYSA-N 435.490 5.278 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3ccccc3C)no2)nnc1-c1cccc(OC)c1 488913103 SGFKSEJJUJPHTD-INIZCTEOSA-N 433.537 5.351 30 20 IKED C=CCn1c(SCC(=O)c2cc(C)n(CC(F)(F)F)c2C)nnc1-c1cccs1 489430717 SDDQBNYYEYQOIF-UHFFFAOYSA-N 440.516 5.148 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 494180766 WZECSJKYLAYCJP-UHFFFAOYSA-N 430.386 5.433 30 20 IKED CC(C)(C)c1noc(-c2ccccc2C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)n1 505420094 GLOCGCZBOWYSDZ-HNNXBMFYSA-N 435.434 5.269 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 506530213 LYCJIPRPRPDICD-UHFFFAOYSA-N 441.531 5.118 30 20 IKED CCCn1nccc1C1CCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 507384587 WGEROLPNZXNAOZ-FQEVSTJZSA-N 441.579 5.482 30 20 IKED CCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)[C@@H](C)c1ccc(C#N)cc1 509572586 BZHCGQOWQROJBY-HNNXBMFYSA-N 442.346 6.062 30 20 IKED Cc1c(C#N)c(NC(=O)CN2CCC[C@H]2c2ccsc2)n(Cc2ccc(F)cc2)c1C 510068041 INLOEGZRZMALOT-QFIPXVFZSA-N 436.556 5.001 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1ccc(OCc2ccccc2Cl)c(OC)c1 510266687 CLBCWRVXKLCVKO-UHFFFAOYSA-N 436.895 5.450 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)n1 514961307 UTZJQVZKSRBGDJ-DOMZBBRYSA-N 425.501 5.186 30 20 IKED CN(Cc1ccc(Br)o1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 517669040 RBRFCQKSCKFMDJ-UHFFFAOYSA-N 425.282 5.173 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccccc4)c3C3CC3)n2)cc1 518515515 WMRKFQVMBXRWQT-FQEVSTJZSA-N 440.528 5.372 30 20 IKED C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 518870730 GRGRKTMHAKLRDT-WQVCFCJDSA-N 437.471 5.173 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cccc(Oc3cnccn3)c2)cc1 520735741 WWUYFQFZLMPYMU-UHFFFAOYSA-N 426.407 5.324 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)nnn1-c1cccc2cnccc12 520917218 SZDAJLRWDBPTPL-UHFFFAOYSA-N 446.470 5.040 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c12 521326647 BBYFRNUAGZXHKH-HNNXBMFYSA-N 446.532 6.082 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1nc(-c3ccc(C#N)cc3)cs1)O[C@H](C)C2 521676859 LWFYNVCMIQTVRQ-HEFCMCLBSA-N 445.544 5.146 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 521730739 RANDQJVNSJVGFU-ZIAGYGMSSA-N 448.375 5.237 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 521746543 KKBXDTBGHWYOQI-HNNXBMFYSA-N 433.499 6.154 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)c2)c1 522389923 OMBAQWLGGKNGLB-OAQYLSRUSA-N 436.298 5.439 30 20 IKED Cc1cc(NC(=O)c2oc3ccccc3c2COc2ccccc2Cl)n(CCC#N)n1 523279645 DJPNTDAKUISXOI-UHFFFAOYSA-N 434.883 5.336 30 20 IKED Cc1cc(C)n(-c2ccc(CNc3nc(C(F)(F)F)ccc3C#N)c(C(F)(F)F)c2)n1 523755003 MXXCFGCNGPEGTQ-UHFFFAOYSA-N 439.363 5.406 30 20 IKED N#Cc1ccccc1OC1CCC(Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)CC1 524198966 FRRFDBLTFHMRHT-UHFFFAOYSA-N 439.441 5.231 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc(-c3ccccc3)nc3cc(F)ccc23)n1 524931928 LVDOWXIJNHHDGW-GOSISDBHSA-N 445.475 5.164 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F 525558371 JPKJUYFJJUYLCK-OAHLLOKOSA-N 439.437 6.205 30 20 IKED COc1ccc(Oc2ccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cn2)cc1 525589440 QHUMTRFBKCARGM-UHFFFAOYSA-N 441.443 5.178 30 20 IKED CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)Cn2nc(C(C)(C)C)c(CCC#N)c2O)cc1 536151847 STDJDOQFTATRIX-NRFANRHFSA-N 436.600 5.004 30 20 IKED COc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1OCC(=O)Nc1ccccc1Cl 539497899 KAVGPZURIQZPIL-KRWDZBQOSA-N 449.938 5.089 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 540275898 LAWQHZFWYZZICB-AZGAKELHSA-N 425.532 5.192 30 20 IKED CCCc1c(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cnn1-c1cccc(F)c1 541505793 HIWRQRYXCGLJQK-GGAORHGYSA-N 431.515 5.268 30 20 IKED CC(C)Cn1ncc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C(F)F 542029800 BTUVFXWCFYCIQD-MRXNPFEDSA-N 437.494 5.898 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1 543489044 MBGWJZMNOJBSOI-GGAORHGYSA-N 432.520 5.499 30 20 IKED N#CC1(c2ccccn2)CCN(c2ccc3cc(Br)cc(Cl)c3n2)CC1 548759621 KNLRWPRXNXAHMZ-UHFFFAOYSA-N 427.733 5.107 30 20 IKED Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N1CCC(C#N)(c2ccccn2)CC1 548774607 JBNWPOAIIMORFM-UHFFFAOYSA-N 441.318 5.049 30 20 IKED N#CCCN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc2c(c1)OCCO2 550259611 PMOPOZRBBGCNLO-UHFFFAOYSA-N 442.393 5.297 30 20 IKED C=C(C)Cn1c(SCC(=O)N2C[C@@H](C)CC[C@@H]2c2ccccc2)nnc1-c1ccco1 553176091 QYUQTWLBSJOFBT-AZUAARDMSA-N 436.581 5.206 30 20 IKED C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccc(C(F)(F)F)cc1 553771192 SPTIMCIJFNZDJZ-AWEZNQCLSA-N 435.421 5.030 30 20 IKED C[C@@H]1CN(Cc2ccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)C[C@@H](C)O1 554319446 BWRDLOIMTFEPAL-CLCXKQKWSA-N 439.968 5.049 30 20 IKED COc1ccc(NC(=O)NCC(C)(C)CCC#N)cc1NC(=O)c1ccc(Cl)cc1F 554422080 OBMPDGWOBHYQIY-UHFFFAOYSA-N 446.910 5.191 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 557589998 OXCCQYYKOUQJGU-UHFFFAOYSA-N 446.425 5.197 30 20 IKED C=CCn1c(S[C@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)nnc1-c1ccccc1C 558844286 XOMMZLPMCHDXGR-UWJYYQICSA-N 436.556 5.033 30 20 IKED Cc1cccc(Oc2ccccc2NC(=O)C(=O)N[C@H](CCCC#N)c2ccccc2)c1 560281313 MZPFGBQLFPJGQB-JOCHJYFZSA-N 427.504 5.277 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCCc4c([nH]c5c(F)cccc45)C3)cc2)ccn1 570090117 ODWPIRJJRSHFBV-UHFFFAOYSA-N 441.466 5.346 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccc(OC)cc1)(C3)C2 570302110 KRUXRGJAAJOYJX-LHUUVIGISA-N 449.591 5.223 30 20 IKED COc1c(Br)cc(Cl)cc1NC(=O)c1cn(CCCC#N)c2ccccc12 574713933 SVZVFLQZHHFHTR-UHFFFAOYSA-N 446.732 5.622 30 20 IKED CN1[C@H]2CC[C@H]1CC([C@H](NC(=O)c1cc(C#N)ccc1Cl)c1ccc(Cl)cc1)C2 576774585 DAGOAJSBOKLWEX-CNNODRBYSA-N 428.363 5.209 30 20 IKED N#Cc1ccc(NC2CC2)c(NC(=O)c2oc3ccccc3c2CSc2ncccn2)c1 586819174 ZHPYYIPTWXRFAN-UHFFFAOYSA-N 441.516 5.213 30 20 IKED CCn1c(SCCC(=O)Nc2ccccc2C#N)nnc1-c1ccc(C(C)(C)C)cc1 589942206 DPOWZTZEPDUVJT-UHFFFAOYSA-N 433.581 5.255 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCC(=O)c3ccc(F)cc3F)cc2F)c1 590480442 VECHGFNXNOLSPI-UHFFFAOYSA-N 438.405 5.156 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(c4c[nH]c5ccccc45)CC3)cn2)c1 603691172 DNNOETBZICFDOP-UHFFFAOYSA-N 437.503 5.638 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CSc2nc3ccc(C(F)(F)F)cc3[nH]2)c1C 603938227 OPJWDZDGFYZIJV-UHFFFAOYSA-N 432.471 5.238 30 20 IKED Cc1csc(-c2cccc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2)n1 607009960 SXLUDLQRDWLNRQ-HNNXBMFYSA-N 437.496 6.010 30 20 IKED C=CCOc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)cc1OC 607039446 YJZDFGFEJSPZFU-OAQYLSRUSA-N 446.547 6.016 30 20 IKED Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(C)n1CC(F)(F)F 609110880 XVXQFFJTLBCPRY-UHFFFAOYSA-N 445.416 5.509 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)c1 609228578 ZCHDXZTULWZLDV-UHFFFAOYSA-N 436.336 5.637 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1oc2ccccc2c1COc1ccccc1 609428671 RRHGNHMDFHRCSS-SFHVURJKSA-N 442.540 6.658 30 20 IKED CCN(C(=O)c1cc2ccccc2n1CC#N)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 609577427 CFXNSEUTTFJHML-XMMPIXPASA-N 430.458 5.090 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N(Cc3ccc(O)cc3)Cc3ccco3)c2)cc1 609710134 SSGCHZAUXWIAAM-UHFFFAOYSA-N 438.483 5.278 30 20 IKED C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609957534 HOYYKBQBXVAFTL-KRWDZBQOSA-N 447.922 5.032 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C[C@@H](C)c2ccccc2C(F)(F)F)c1C 610176254 ZUNVAWXDCZBYQO-CQSZACIVSA-N 426.442 5.512 30 20 IKED N#Cc1cccc(-c2nnc(CSc3nc4ccccc4c4nc5ccccc5n34)o2)c1 610218470 ULILSJYWMFYVKJ-UHFFFAOYSA-N 434.484 5.250 30 20 IKED COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1 611310974 MPCDASCVNLMDBP-GOSISDBHSA-N 440.927 5.055 30 20 IKED C[C@H](NC(=O)Nc1cccc(CN2CCCC2=O)c1)c1ccc(-c2cccc(C#N)c2)cc1 611814633 VVCJKGWFGMWPHU-IBGZPJMESA-N 438.531 5.230 30 20 IKED N#C[C@H](C(=O)c1csc(-c2cccs2)n1)c1nc(-c2ccc(Cl)cc2)cs1 613319217 AATBUHZKYCXBNR-CYBMUJFWSA-N 427.963 6.139 30 20 IKED O=C(NCC1(c2ccc(F)cc2)CCCC1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618556042 XPKLHDNLUQOTAK-GASCZTMLSA-N 440.403 5.410 30 20 IKED CS(=O)(=O)c1cccc([C@@H](NCc2ccc(C#N)c(Cl)c2)c2ccc(Cl)cc2)c1 619754495 BAJNGBQQIHTIET-QFIPXVFZSA-N 445.371 5.148 30 20 IKED O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 620816087 OCIWDGWYHOTOGV-YUMQZZPRSA-N 426.254 5.439 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(CCC(F)(F)F)CC1CC1 674617924 FVDRFLUWTLRLSZ-GDNZZTSVSA-N 428.339 5.270 30 20 IKED Cc1onc(-c2ccccn2)c1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 675908649 WBCBOLJYAKYICT-GFCCVEGCSA-N 428.395 5.164 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1Cc2ccccc2C(F)(F)C1 676384834 GQVYVWRBFZTXKD-VXGBXAGGSA-N 430.339 5.213 30 20 IKED C=CCN(Cc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1)CC(F)(F)F 677378729 SFPMTDCVPGEWFT-UHFFFAOYSA-N 437.409 5.397 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnn1C1CCCCC1 679729139 DEYDWTFMJHKOGR-HNNXBMFYSA-N 432.471 5.815 30 20 IKED CC(C)(c1ccc(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1)C(F)(F)F 683383546 DEDKRHVMHLKQQN-WDNDVIMCSA-N 449.357 6.166 30 20 IKED C=CCn1c(S[C@H](CC)C(=O)Nc2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1 684190874 RATQNPZETOPCPU-LJQANCHMSA-N 442.972 5.303 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 726320443 YBSLAINVPGBQDD-HNNXBMFYSA-N 449.841 5.443 30 20 IKED Cc1ccc(Cl)c(NC(=S)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1Cl 728446488 WGBSGHRHSXIKIY-GOSISDBHSA-N 426.372 6.766 30 20 IKED Cc1cccc(C)c1NC(=O)CCCOC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 728669277 NLGCJAUQICRALY-UHFFFAOYSA-N 428.488 5.543 30 20 IKED Cc1csc([C@@H](C#N)C(=O)[C@@H](Oc2ccc(Br)cc2F)c2ccccc2)n1 730686348 OFKITHZGJNGBPL-KXBFYZLASA-N 445.313 5.350 30 20 IKED Cc1ccc2c(CC(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)coc2c1C 731059879 CHHJGTMKXDALDG-MRXNPFEDSA-N 436.533 5.168 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)-c1ccccc1C2 731064013 SDUYUUGIHOPXPN-QGZVFWFLSA-N 442.540 5.305 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1COc1ccc(Cl)cc1 731116372 NLGZRRKWLGTFKH-AEFFLSMTSA-N 429.973 5.667 30 20 IKED C=CCn1c(SCC(=O)O[C@H](C)c2cccnc2)nnc1-c1ccc(Cl)cc1Cl 733375135 XWANCNLTXXETMT-CYBMUJFWSA-N 449.363 5.229 30 20 IKED N#CCOc1ccc(COC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1 733378920 YEHUCYJWNCKXCW-UHFFFAOYSA-N 430.485 5.379 30 20 IKED C[C@@H](COc1cccc(C#N)c1)OC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 733862028 TZEVLVIRGWOBAO-AWEZNQCLSA-N 440.908 5.150 30 20 IKED C=CC[C@H](NC(=O)c1ccc(COc2ccc(Br)cc2)o1)c1ccncc1 734360291 HXEVLVXIZCXTPF-IBGZPJMESA-N 427.298 5.063 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)Cc3cccc(OCc4ccccc4Cl)c3)[nH]c12 735793463 STSFPFAJAGEHEQ-FQEVSTJZSA-N 429.907 5.523 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccncc2)n1)c1ccc(Br)cc1 735976024 HRLJHVWDGJILBM-UHFFFAOYSA-N 436.235 5.156 30 20 IKED CC[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ncc(-c2ccccc2)[nH]1 740482824 DVTDHBSLXZKOBS-OAQYLSRUSA-N 441.560 5.627 30 20 IKED O=C1/C(=C\c2csc(Br)c2)COC/C1=C/c1csc(Br)c1 741448352 VXMMVWYETPFOFV-XLOUZBLFSA-N 446.185 5.401 30 20 IKED Cc1c(F)cccc1-c1ccc(/C=C\C(=O)c2ccc(S(=O)(=O)CC(F)F)cc2)o1 741851641 CQDXRVFETVPEDQ-XFFZJAGNSA-N 434.435 5.329 30 20 IKED C#CCN(C(=O)[C@@H]1CCSc2ccccc21)[C@H]1CCOc2ccc(Br)cc21 741927184 CXBKGZYPIXAYBZ-MJGOQNOKSA-N 442.378 5.014 30 20 IKED N#Cc1ccc(NC(=O)c2cc(-c3nc4ccccc4s3)nc3ccccc23)cc1C#N 741942599 FVGMFXIYWMCXRY-UHFFFAOYSA-N 431.480 5.507 30 20 IKED N#CCOc1ccc(Cl)cc1CSCc1nnc(-c2ccc(Cl)cc2Cl)o1 742970763 JJIQNNADWUHVQZ-UHFFFAOYSA-N 440.739 6.033 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3ccc(Oc4cccc(Cl)c4)cc3)o2)cc1 744909016 DVBIWZKEFUAOEU-UHFFFAOYSA-N 431.835 5.411 30 20 IKED CC(=O)CCc1ccc(OCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 745313802 XGSMYVXZAJFZFT-KRWDZBQOSA-N 446.450 5.092 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1Br 747108433 PHIVEKMPSSUQLK-GOSISDBHSA-N 449.304 5.511 30 20 IKED C=CCn1c(-c2cccc(C)c2)nn(CN2CCC(OC3CCCCC3)CC2)c1=S 747800165 LTAGSPMJMLOUNN-UHFFFAOYSA-N 426.630 5.347 30 20 IKED O=C1C[C@@H](C(=O)O[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c2ccc(F)cc2N1 750213066 FSMTUQNCNUXJDZ-WBMJQRKESA-N 435.295 5.117 30 20 IKED O=C(CC1CCCCC1)NC1CCC(C(=O)N2CCCSC2=Nc2ccccc2)CC1 751049639 MSUJYXRRSAYDAZ-UHFFFAOYSA-N 441.641 5.285 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)cc1Cl 758569441 ROKAKWQNFKCNFG-LSWJPFSZSA-N 449.938 5.708 30 20 IKED N#CCOc1cccc(CC(=O)N(CCc2ccccc2)c2nc3ccccc3s2)c1 760343265 PZNFUSFOZXUIJC-UHFFFAOYSA-N 427.529 5.017 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCCC[C@@H]2CCc2ccccc2)ccc1OC 760834179 VBHNLCADRBTUFN-PKTZIBPZSA-N 435.568 5.073 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C 762953574 KTYLPWWKROWMQK-PXNSSMCTSA-N 439.581 5.155 30 20 IKED O=C1/C(=C\c2cncc(Br)c2)CCC/C1=C/c1cncc(Br)c1 767340991 LXXDBIJAQBDIOH-WPXFVRNCSA-N 434.131 5.222 30 20 IKED COc1cc2c(cc1NC(=O)[C@@H](C#N)c1nc(-c3ccccc3)cs1)oc1ccccc12 768126059 KWHBHWFKVRZFQX-GOSISDBHSA-N 439.496 5.964 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)Nc2ccc(C#N)cc2Cl)cc1 768994349 BKWFITFVPSUNFV-CQSZACIVSA-N 428.920 5.119 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H]2C[C@@H](C)c3c(Br)cccc32)ccc1OC 772980846 UPSCZGNXOCZDRV-OGWOLHLISA-N 429.358 5.477 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)c1 772986526 YDUAZXRAHJAIGI-AAIMPIBUSA-N 426.532 5.305 30 20 IKED COc1ccc2c(c1)c(C(=O)Nc1ccccc1O[C@@H](C)C#N)c(C)n2Cc1ccccc1 780147723 HWTLPOJQLMVZMI-SFHVURJKSA-N 439.515 5.550 30 20 IKED O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(N2CCNC2=O)cc1 782371009 WJRFMYARUDQWBE-MDWZMJQESA-N 445.906 5.018 30 20 IKED CCSCc1ccc(C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 787053018 PINUYTMQZLYPGA-SCLBCKFNSA-N 435.376 5.446 30 20 IKED N#C[C@H](C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1cnc2ccccc2n1 792114738 NRLQYDCIGLASRK-FQEVSTJZSA-N 446.466 5.047 30 20 IKED FC(F)Oc1ccc(NC(=S)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)cc1 795015790 TZWDTIDOLXCOGT-UHFFFAOYSA-N 428.329 5.717 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)c2ccc(C(C)(C)C#N)cc2)cs1 796041271 ZAYQICWUSFQEFK-UHFFFAOYSA-N 447.560 5.603 30 20 IKED Cc1ccccc1[C@H](O)C1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 804519400 CNFCSMUFRJJWMX-HHHXNRCGSA-N 440.543 5.032 30 20 IKED Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)OCCCSCC#N)c12 805459566 VHZYZLHPWVTJEH-UHFFFAOYSA-N 435.427 5.021 30 20 IKED O=C([C@H](F)c1ccc(C(F)(F)F)cc1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 857483577 CMGWYCOBPUYPNI-DLBZAZTESA-N 435.339 5.335 30 20 IKED C=CCn1c(SCC(=O)N2CCCCCCC2)nnc1-c1ccc(Cl)cc1Cl 859974105 GDUSDUVYNZRRML-UHFFFAOYSA-N 439.412 5.323 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCC(=O)CCC(=O)c3cccs3)n2)cc1 915099955 IAHZAHKECBUZPH-GOSISDBHSA-N 436.558 5.369 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCCC(=O)c1c(C)cc(C)cc1C 916905152 AXRBVMCGOITMKJ-QFIPXVFZSA-N 432.564 5.437 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(C2SCCCS2)cc1 916916200 PWSSTHMQBCZAPW-FQEVSTJZSA-N 432.570 5.670 30 20 IKED CCOc1cc2c(cc1/C=C/C(=O)[C@H](C#N)C(=O)Nc1ccc([C@H](C)CC)cc1)O[C@@H](C)C2 916955312 OSBSPPRLNZJIIV-MZSPLZDYSA-N 446.547 5.283 30 20 IKED COc1cc(C(C)=O)ccc1OCCCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 917026551 HMABEPPKLKNGBT-IBGZPJMESA-N 434.517 5.057 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c(C)n1[C@H](C)c1ccccc1 917045326 XWTBKPWVOUBXSO-UZLBHIALSA-N 432.474 5.949 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cc(Cl)sc2Cl)cs1 917559255 GPMNZWZDTRHIPO-YVMONPNESA-N 437.373 6.401 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2c(Cl)nc(Cl)n2-c2ccccc2)S1 920064910 PCAFBCAIQURUAP-LFIBNONCSA-N 443.359 5.688 30 20 IKED Cc1cccc(OCCCCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 920113284 UGUMEJKLCKVFLB-KRWDZBQOSA-N 432.467 6.049 30 20 IKED N#C[C@@H](C(=O)CCSc1ccccc1Br)c1nc(-c2ccncc2)cs1 920269384 UAQHORVFVJPKJX-AWEZNQCLSA-N 444.379 5.326 30 20 IKED CCOc1cc(/C=C\C(=O)c2cnn(C)c2)cc(Br)c1OCc1ccccc1 920832742 WDEYQVIQNFBCSA-KTKRTIGZSA-N 441.325 5.056 30 20 IKED CSc1nc(O)c(C(=O)N(Cc2ccc(C)cc2)[C@H]2CCc3ccccc32)cc1C#N 1125258462 IWARPYYILSBJLD-QFIPXVFZSA-N 429.545 5.019 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4c(F)cccc34)CCC2)cc1 1789454438 YNCQNJQQJYKMHB-LJQANCHMSA-N 446.526 5.218 30 20 IKED Cc1cc2cccc(C(=O)NC3(c4ccc(NC(=O)c5ccc(C#N)cc5)cc4)CCC3)c2[nH]1 1790290266 PGOUGNBREBMVLB-UHFFFAOYSA-N 448.526 5.410 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(F)cn34)cc2)CCC1 1790958041 GNTFZWIXXJOLPF-UHFFFAOYSA-N 448.542 5.214 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C23CCC(CC2)CC3)CC1 1832389340 ZRAWYJQLRRIZHO-WDQRKIEDSA-N 426.645 5.345 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cc3c(ccc4ncccc43)s1)C2 1844202799 BMNAMFCDZBNQQR-SFHVURJKSA-N 445.588 5.035 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](c1ccc(Cl)cc1)C(C)C)C2 1844204379 QWYHSPJWMLUCDW-FGZHOGPDSA-N 429.004 5.051 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1cc(C)sc1C)[n+]1ccc2c(c1)CCCC2 10174399 WAOPNHCLFDFYTA-UHFFFAOYSA-O 449.665 6.145 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)c(Cl)c1)=C(/S)Nc1ccccc1F 11169720 INFIRIDDWLZRKA-UHFFFAOYSA-O 448.370 6.033 30 20 IKED COc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2ccccc2)c1 20834551 PEZVDWWMPGAPMG-UHFFFAOYSA-O 432.352 5.340 30 20 IKED C=C(C)CN(CC)C(=O)[C@H](C)Sc1nc2scc(-c3cccs3)c2c(=O)n1CC 22190360 MOORWKABMKJISH-AWEZNQCLSA-N 447.651 5.112 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 58418883 OJUISXPRKQBXCT-UHFFFAOYSA-N 435.911 5.684 30 20 IKED C=CCn1c(S[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)nnc1-c1ccoc1C 59410159 WTAXMJCFHSAMJG-GOSISDBHSA-N 444.560 6.138 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 63667710 FEKKTGJLPLCKMZ-UHFFFAOYSA-N 428.492 5.129 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCCOc3cccc(Cl)c3)c2)cc1 71937370 XBRZCTVXOQSNPE-UHFFFAOYSA-N 435.911 5.186 30 20 IKED C=CCOc1cccc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1 108868991 SFPVGRSRQGJJDX-HSZRJFAPSA-N 434.923 5.405 30 20 IKED C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c2)C1 195729917 RHWUCZMFXKAGAB-HFZDXXHNSA-N 448.611 5.249 30 20 IKED C[C@H](C#N)Oc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1 207995958 POODDIOTHVWWNN-HJPCULJESA-N 445.331 5.472 30 20 IKED CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)CCc1ccc(C#N)cc1 248089848 FIRDHUUVQGAKEY-UHFFFAOYSA-N 426.545 5.064 30 20 IKED C=CCn1c(SCc2csc(CC(=O)Nc3ccccc3)n2)nnc1-c1ccccc1 302967177 FRGVPHOHKLTKJU-UHFFFAOYSA-N 447.589 5.061 30 20 IKED CN(Cc1ccc(F)cc1Cl)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 303337724 UYIULQCSEYMUNS-UHFFFAOYSA-N 447.948 5.158 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3CC=C(c4cccc(Cl)c4)CC3)ccc21 432602984 OTTGTXFFCQMCGZ-UHFFFAOYSA-N 448.954 5.244 30 20 IKED C[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)c1nc(Cc2ccc(Cl)cc2)no1 439558671 WPUHQUCOKHTCJO-QGZVFWFLSA-N 444.922 5.938 30 20 IKED C[C@H]1CCN(CC(=O)Nc2ccccc2SCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 441272217 TWNCHBFRQARJPO-BTYIYWSLSA-N 433.499 5.343 30 20 IKED Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)C(=O)NCC3CCC(C#N)CC3)cc2)c1 443324895 FABFQSFDKKRIBO-UHFFFAOYSA-N 447.579 5.082 30 20 IKED Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1cn(CCCC#N)c2ccccc12 444051047 RFJNOLJASCEYQM-IBGZPJMESA-N 442.563 5.378 30 20 IKED C[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1noc(-c2ccc(Cl)cc2)n1 444252490 VVEOBJDYNUKXSI-OAHLLOKOSA-N 433.899 5.139 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)c2ccc(Br)s2)cc1 463168375 YTOLHPKHEXETAA-CQSZACIVSA-N 433.371 5.067 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1cc(C(F)(F)F)ccn1 464410078 MHJYPKZENOCLQY-LBPRGKRZSA-N 425.197 5.083 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)NCCc2cccc(C#N)c2)nc1-c1ccccc1 466824318 HTPHBIYUYITWJC-QFIPXVFZSA-N 428.536 5.426 30 20 IKED CC(C)(NC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1nc(C(F)(F)F)cs1 467702895 PCECULTUBOIJGK-UHFFFAOYSA-N 430.455 5.014 30 20 IKED CN(Cc1cc(Br)cn1C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 467901427 XCRYQMZMLPCOOZ-UHFFFAOYSA-N 439.313 5.115 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(-c2ccncc2)c1C(F)F 468925032 KNUBMJHPGYUPRF-UHFFFAOYSA-N 445.429 5.430 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1c1nc(C(=O)OC)c(C)s1 470129278 VJKHFFURINHEKK-SFHVURJKSA-N 427.570 5.459 30 20 IKED C=CCN(C(=O)CCc1c[nH]c2ccc(C)cc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 470827117 SPBHXHKBYFJXBN-UHFFFAOYSA-N 446.532 5.660 30 20 IKED Cc1nn(C)c(C)c1[C@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 471097545 FSCQTAANHNSXOW-ZDUSSCGKSA-N 447.301 5.108 30 20 IKED Cc1nn(CC(F)(F)F)cc1C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 474265942 OHGYBHRNSLWOFU-CYBMUJFWSA-N 447.301 5.196 30 20 IKED C=C(C)[C@H](NC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)c1ccc(F)c(F)c1 478921567 VFYNMEIHQJTAHU-QFIPXVFZSA-N 444.503 5.082 30 20 IKED CC[C@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ncc(-c2ccccc2)[nH]1 479186168 KGBQVYUCKHHMNY-HRTMPFAESA-N 443.551 5.089 30 20 IKED CCC[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1nnc2ccccn12 479581099 RBRWUJWUHJABQR-HXUWFJFHSA-N 427.533 5.023 30 20 IKED Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 480933697 ALAKJHZWRRQEKF-LBPRGKRZSA-N 444.413 5.632 30 20 IKED N#C[C@H](C(=O)c1csc(-c2cccc3ccccc23)n1)c1nc(-c2ccncc2)cs1 480971735 OTDHLRMFQMSVJH-LJQANCHMSA-N 438.537 5.972 30 20 IKED CC[C@H](CC#N)NC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482350839 VYPFOIQLNONXJX-VXGBXAGGSA-N 435.290 5.319 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 484883487 RYISIMSFSWIFKH-OAQYLSRUSA-N 430.957 5.364 30 20 IKED CC(=O)N(c1nc(/C=C\c2nc3ccccc3n2CC#N)cs1)c1ccc(F)cc1F 486080219 ZJHSBWZWUZEYLY-CLFYSBASSA-N 435.459 5.150 30 20 IKED C=CCSc1ccccc1C(=O)Nc1cc(Br)ccc1OCCOCC 486406573 KYQBYCZESMKFMI-UHFFFAOYSA-N 436.371 5.395 30 20 IKED N#Cc1cccc(COc2cccc([C@@H]3Nc4ccccc4C(=O)N3Cc3cccnc3)c2)c1 489178258 WBFHVIGYWVTUMH-HHHXNRCGSA-N 446.510 5.299 30 20 IKED C=CCn1c(S[C@H](CC)C(=O)c2ccc(NC(C)=O)cc2)nnc1-c1ccc(C)cc1 489625156 YNPKUBZRRHPUTF-OAQYLSRUSA-N 434.565 5.152 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(-c2noc(C(F)(F)F)n2)c1 490413222 LFFVXFGTRNGQOW-ZWKOTPCHSA-N 441.413 5.059 30 20 IKED N#C[C@H](NC(=O)c1ccc(COc2ccc(Br)cc2)o1)c1ccc(Cl)cc1 499808972 OWMZNCUHTZOCPL-SFHVURJKSA-N 445.700 5.269 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cnn1CC(C)C 500468389 ZDHACUMWCNKMLO-OAHLLOKOSA-N 433.364 5.768 30 20 IKED C=CCN(C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)c1nc2c(s1)CCCC2 503276252 MXRNGUZVQXLHIG-UHFFFAOYSA-N 447.589 5.164 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(NC(=O)c4ccco4)c(Cl)c3)CC2)cc1 503628964 RKERJDOKQQBHRS-UHFFFAOYSA-N 446.894 5.378 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cscc2Br)cc1 507206369 YWDNRYVUHJIDPR-UHFFFAOYSA-N 427.323 5.408 30 20 IKED COc1ccc(Cl)cc1C1(CNC2CCC(C#N)(c3ccccc3)CC2)CCOCC1 507630171 OEMOAUYLZJZLOS-UHFFFAOYSA-N 438.999 5.391 30 20 IKED Cc1cc([C@@H](C#N)C(=O)c2cn(CCOc3ccccc3Cl)c3ccccc23)nc(C)n1 511946403 ZEWKUIKJXRRAMW-LJQANCHMSA-N 444.922 5.271 30 20 IKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(C(C)(C)C)o3)c2C#N)C1 515489678 QAZCKRDGJJAVTE-CYBMUJFWSA-N 446.642 5.572 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 515697505 SANJPVJWVIWJSB-SFHVURJKSA-N 449.963 5.431 30 20 IKED CCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1OCCC 516714221 VNZXGTDWCKRPMO-FQEVSTJZSA-N 445.544 5.749 30 20 IKED Cc1cc(Br)c2ccccc2c1NC(=O)N1CCC(C#N)(c2ccccn2)CC1 516981379 QBRPLGMMGZJZOT-UHFFFAOYSA-N 449.352 5.395 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1ccc(C(F)(F)F)cc1 517451561 OJQSHGMGYLPNBK-HUUCEWRRSA-N 438.540 6.533 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1csc(C2CCCCC2)n1 518148094 YSYHHRKHMMRJEO-INIZCTEOSA-N 445.679 6.314 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(F)c(C(F)(F)F)c2)cc1 519100701 ZOQUYCGNTPCGQG-UHFFFAOYSA-N 428.385 5.742 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)cc2)cc1 520556247 IRISVHBRPDBYTB-UHFFFAOYSA-N 435.439 5.647 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1 521887640 ZOTXZXFPYMKXIV-QFIPXVFZSA-N 436.298 5.439 30 20 IKED CC1(C)CC(=O)c2sc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)nc2C1 522323445 NYLQUEAHXDHQED-UHFFFAOYSA-N 431.517 5.001 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2ccc(C(C)C)cc2)nnc1[C@@H]1COc2ccccc2O1 525623272 QAIGTLAXNDVMFC-VGSWGCGISA-N 449.576 5.464 30 20 IKED CCCOc1ccc(NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1Cl 525859997 ILSBJJWIVSTICE-AWEZNQCLSA-N 431.945 5.100 30 20 IKED N#CC1(NC(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)CCSCC1 534464429 JLNFCMJVLWVFSS-UHFFFAOYSA-N 437.417 5.805 30 20 IKED C[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccc([S@](C)=O)cc1 535195315 HNCPQSZGADPUFF-JGVYIQDASA-N 438.936 5.232 30 20 IKED Cc1nc(COc2cccc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)c2)no1 535404988 SSRQLOHNPUVKLU-UHFFFAOYSA-N 444.422 5.012 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1 536769267 UZZJSHMMBPUZHH-UHFFFAOYSA-N 449.436 5.746 30 20 IKED N#CCC[C@@H](NC(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ccccc1 537909288 VANJHWGVISPKGX-CQSZACIVSA-N 437.372 5.384 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@@H](C)c1ccc(SC(C)C)cc1 538203174 DPAZUWIJLYGWSH-RBUKOAKNSA-N 425.598 5.182 30 20 IKED CC(=O)Nc1cc(NC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)ccc1F 538340806 MAKAUYVKUHFXRL-OAHLLOKOSA-N 437.315 5.228 30 20 IKED C[S@@](=O)c1ccc(NC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1F 539458198 DFJYZZPRWNZESV-IZPCHGGPSA-N 442.356 5.007 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)c1nc2ccccc2o1 540859400 JWPJQKGCUXUCRP-AWEZNQCLSA-N 426.929 5.691 30 20 IKED C[C@H](NC(=O)Nc1cccc(-c2nnc3n2CCC3)c1)c1ccc(-c2cccc(C#N)c2)cc1 541075083 LVWUFVHWKZXXGE-SFHVURJKSA-N 448.530 5.313 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)n2)c(F)c1 541103379 FSLXUHZQIXWJGU-JOCHJYFZSA-N 437.478 5.063 30 20 IKED CC[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1nc(C(F)(F)F)cs1 541637544 ZUWQGCRWGMHEMA-OLZOCXBDSA-N 442.532 5.093 30 20 IKED CC[C@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1nc(C(F)(F)F)cs1 541637546 ZUWQGCRWGMHEMA-STQMWFEESA-N 442.532 5.093 30 20 IKED C[C@@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1ccc(-c2ccncc2)cc1 542032989 PPWGGYYPOIGDQZ-MRXNPFEDSA-N 442.910 5.342 30 20 IKED Cc1cnc(NC(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1 542107414 LBEGLUHMIFNKBL-JTQLQIEISA-N 435.246 5.446 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[C@H](C#N)c1nc2c(C)ccnc2[nH]1 542876430 FVPMEOHDDGIPHD-LBPRGKRZSA-N 426.263 5.027 30 20 IKED COc1ccc(Cc2noc(/C=C/c3cn(CCC#N)c4ccccc34)n2)c(Cl)c1OC 544425566 SEAGVXLMSGPGJB-PKNBQFBNSA-N 448.910 5.370 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 549728711 ZHLHEBKEDNXSOW-AUSIDOKSSA-N 425.536 5.036 30 20 IKED CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 552342272 GZAMZMZNKKKAEF-GOSISDBHSA-N 448.460 5.355 30 20 IKED N#Cc1cc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)cnc1C(F)(F)F 556037140 DHCKBCYXMCECKT-UHFFFAOYSA-N 426.329 5.172 30 20 IKED COc1cccc(/C=C(\CC(=O)NCC#Cc2ccccc2)c2nc3ccccc3s2)c1 558292059 ALZTVPVRYMRWMC-OQKWZONESA-N 438.552 5.404 30 20 IKED C[C@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 558315045 JNSXZTYRDPVORY-KDYSTLNUSA-N 439.559 6.337 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)c1C 558470111 FXFDTXDAOVBWSG-MSOLQXFVSA-N 425.319 5.410 30 20 IKED N#CCCC[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1)c1ccccc1 560281647 FLTFMEAJBKPLES-QHCPKHFHSA-N 431.467 5.108 30 20 IKED Cn1c([C@@H](NCc2ccc(Br)cc2C#N)c2ccccc2)nc2ccccc21 561892437 CTEBHEOSEOOKKF-QFIPXVFZSA-N 431.337 5.087 30 20 IKED CCCN(C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[C@@H](C)c1ccccc1OC 564441064 KEFNOKOSWPWXGA-SFHVURJKSA-N 430.508 5.759 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N(Cc3cccs3)C[C@H]3CCCO3)cc2)ccn1 565110048 WUCBYAICMGUZOB-OAQYLSRUSA-N 434.521 5.020 30 20 IKED O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 572978650 SRASTJVAIBCGSS-CYBMUJFWSA-N 448.329 5.683 30 20 IKED Cc1ccc(C[C@H]2CCCN(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)C2)cc1 574130750 SAIQBHQFNAKALJ-JOCHJYFZSA-N 444.579 5.065 30 20 IKED Cc1cc(CNC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc(N2CCCC2)n1 583473670 XPYBLWCDKZIESU-FQEVSTJZSA-N 439.563 5.089 30 20 IKED C=CCn1c(SCc2nnc(-c3c(Cl)cccc3Cl)o2)nc2ccccc2c1=O 588011182 XNIGLIZZRTZPEV-UHFFFAOYSA-N 445.331 5.232 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H](CO)c2ccc(Cl)cc2)cc1 588787433 GHBDSVQESMLJIS-HXUWFJFHSA-N 436.964 5.010 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)SCc1ccc(Br)cc1 603452421 DSXRUCNIRRPNNO-OAHLLOKOSA-N 433.371 5.026 30 20 IKED CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 603643815 QOHXVUFZHRYOME-UHFFFAOYSA-N 447.539 5.407 30 20 IKED C[C@@H](NC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc(C#N)cc1 603649493 VHXGDDKLFPODTP-CYBMUJFWSA-N 430.455 5.507 30 20 IKED Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc3c(c(-c4ccco4)c2C#N)CCC3)c(C)c1 603818404 IHTJSJDKBHEMHP-QGZVFWFLSA-N 431.561 5.747 30 20 IKED COc1ccc(SCCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 604003478 BTMKMSBYKWKFHH-UHFFFAOYSA-N 432.545 5.461 30 20 IKED O=C([C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 607300489 BXHBAAAIMDOTSP-JULQROHOSA-N 449.313 5.278 30 20 IKED C[C@@H](C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1cccc(F)c1 607777977 SYEHYVBYGLZUFL-LLVKDONJSA-N 439.327 5.450 30 20 IKED CC(C)CC[C@@H](NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(Cl)cc1 608991108 FGONAXUDVWSYEM-JOCHJYFZSA-N 439.991 5.052 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@H](C)c1ccccc1Cl 609079221 PKLGUUVRUNMPDP-GOSISDBHSA-N 433.939 6.324 30 20 IKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 609306298 LTFOGWSEHWERPF-LVXARBLLSA-N 444.506 5.730 30 20 IKED CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1SC[C@@H](C)C#N 609377962 SFVWTUOQRGUISK-QYWGDWMGSA-N 444.000 5.375 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCCC[C@H]3c3cc4ccccc4[nH]3)cn2)cc1 609398968 ASOHDFKBRDCMCQ-DEOSSOPVSA-N 437.503 5.986 30 20 IKED N#C[C@@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)c1ccccc1Br 609591321 MGIOGBAXTGYYLA-OAHLLOKOSA-N 434.746 5.026 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2sc3cccc(Cl)c3c2Cl)c1C 610054548 RZIYKNPOXPQAMX-UHFFFAOYSA-N 441.343 6.135 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)N(C)S(=O)(=O)c3cccc(Cl)c3C#N)s2)cc1 610087106 OMBIZJBSWQXRPI-HNNXBMFYSA-N 445.997 5.334 30 20 IKED Cc1cccc([C@H](C)CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 610165147 QIJGLRUBGQNJLV-WZONZLPQSA-N 445.950 5.162 30 20 IKED CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 610171206 DABCGWUFRBNROM-UHFFFAOYSA-N 441.531 5.052 30 20 IKED N#CCC[C@@H](NC(=O)Nc1ccc(C(F)(F)F)cc1Br)c1ccccc1 611095917 WIKLLSAUNTUVGH-OAHLLOKOSA-N 426.236 5.634 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(OCc4ccc(F)cc4)CC3)cc2)c1 611261381 WYUXKIGJUWSWIG-UHFFFAOYSA-N 445.494 5.703 30 20 IKED Cc1sc(CNC(=O)NCc2ccc(C#N)c(Cl)c2)nc1-c1ccc(Cl)cc1 619756636 DWXHGGZCQYZWGB-UHFFFAOYSA-N 431.348 5.296 30 20 IKED C[C@@]1(C#N)CCCN(c2nnc(Cc3ccc4ccccc4c3)n2Cc2cccs2)C1 619854365 HSLVQIBDPAPIID-VWLOTQADSA-N 427.577 5.262 30 20 IKED C=CCCOCC(=O)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2Cl)cs1 620326709 AJVDFSKNZJACOA-UHFFFAOYSA-N 430.932 5.729 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)cc1 620865313 KUOZUMXZHKKDDS-UHFFFAOYSA-N 429.303 5.021 30 20 IKED Cc1cc([C@@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)nc(C)n1 642282779 YHDDHSUZOCFHPI-GOSISDBHSA-N 435.940 5.005 30 20 IKED CCCOc1ccc(CN(CCC)C(=S)Nc2ccc(C#N)c(Cl)c2)cc1OC 726440929 HADCTDJUSYIERU-UHFFFAOYSA-N 431.989 5.618 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C(C)(C)C)cc2)[n+]2ccccc2CC)c1 726573010 VETGHFIMCQBYIP-UHFFFAOYSA-O 441.620 6.139 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc3ccccc3o2)[n+]2ccccc2CC)c1 726573055 XYVDAYVTNBWLEN-UHFFFAOYSA-O 425.533 5.587 30 20 IKED C=CCOc1ccc(/C=C/C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1OC 726864917 PBZMPOZZQFONOJ-AXDNMFEOSA-N 445.519 5.077 30 20 IKED COc1cc(C=NNc2ccc(OCC(F)(F)F)cc2)ccc1OCc1c(C)noc1C 727262521 SRPIXASTMTYQET-UHFFFAOYSA-N 449.429 5.266 30 20 IKED COc1ccc(/C=C\C(=O)c2sc(-c3ccc(F)cc3)nc2C)cc1OCCCC#N 727267953 XGJLUEAUSGHNPO-WZUFQYTHSA-N 436.508 5.845 30 20 IKED C=C(C)CNc1nc(-c2cc(C)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c2C)cs1 727462744 VEWSAGUSWZAGIB-UHFFFAOYSA-N 433.581 5.003 30 20 IKED CC1C/C(=C/c2ccc(O[C@H](C)C#N)cc2)C(=O)/C(=C\c2ccc(O[C@H](C)C#N)cc2)C1 727744836 MKNSCICKDMKUIU-LGJAHCDKSA-N 426.516 5.734 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(O)c(F)c2)cc(Br)c1OC(F)F 728439153 VOETVQPYMXTUNF-HWKANZROSA-N 431.204 5.190 30 20 IKED COCCOc1cccc(F)c1C(=O)/C=C\c1cc(C)c(OCc2ccccn2)c(C)c1 729240453 MHOAVGSDXCXRSF-KHPPLWFESA-N 435.495 5.338 30 20 IKED N#C[C@H](C(=O)C1(c2ccc(Br)cc2)CCC1)c1nc2cc(F)ccc2s1 730416271 CFENCLMWDNKVHI-OAHLLOKOSA-N 429.314 5.496 30 20 IKED N#C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)c(F)c2)CCN1C1CC1 732698662 CZHATIPCZKRZSO-MRXNPFEDSA-N 449.313 5.129 30 20 IKED C=CC[C@H](NC(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1)c1ccncc1 734656640 MYHUTDMYXNLXLW-MHZLTWQESA-N 440.591 5.461 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c1 734985415 CKYDUAOWXALLTM-UHFFFAOYSA-N 433.895 5.093 30 20 IKED C[C@@]1(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CCCN1C(=O)c1ccccc1 735205242 BJAAFYVJCKWZET-DVECYGJZSA-N 449.963 5.335 30 20 IKED CC(=O)Nc1ccccc1Cn1c(-c2cc(C)[nH]c2C)csc1=Nc1ccccc1C#N 741453811 YKBUZRBSVXYKML-UHFFFAOYSA-N 441.560 5.272 30 20 IKED COc1cc(C=Nn2c(S)nnc2COc2cc(C)ccc2C(C)C)ccc1SC 746489050 QMQFZRHBXGLPMO-UHFFFAOYSA-N 442.610 5.190 30 20 IKED Cc1cc(C)c(Nc2nn(CN(CCC#N)Cc3cccnc3)c(=S)s2)c(Cl)c1 747969015 GUTBDAVAHUSQIX-UHFFFAOYSA-N 445.017 5.456 30 20 IKED CC(=NN=c1cc(C(F)(F)F)[nH]c(-c2ccncc2)n1)[C@@H](C)c1nc2ccccc2s1 748788635 UPZXDFXRJPJZHP-GFCCVEGCSA-N 442.470 5.181 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)C2(Sc3ccc(C)cc3)CCCC2)ccc1OC 750839552 CCCIHODAKREJLD-HXUWFJFHSA-N 438.593 5.406 30 20 IKED CCOc1c(OC)cc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc1OC 750896438 PZPXWGOCXVBEDM-RGEXLXHISA-N 445.540 6.136 30 20 IKED N#CCSc1ccccc1C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 752302889 MYIKGEGBVFCAOG-UHFFFAOYSA-N 446.919 5.943 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(C)[C@H](C)c2ccccc2Br)cc1C#N 752303904 DPOMZIVCHICGLO-CYBMUJFWSA-N 445.317 5.114 30 20 IKED N#C[C@@H](C(=O)Cc1c[nH]c2cccc(Br)c12)c1nc2cc(Cl)ccc2s1 754532095 QGRZSSBNNSESQS-LBPRGKRZSA-N 444.741 5.612 30 20 IKED C#CC[C@H](NC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C)c1ccccc1 757625248 YIBUCHOJXYURRH-IBGZPJMESA-N 440.927 5.596 30 20 IKED COc1ccccc1[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccn1 760732367 ABEQVZQMQYXMJO-SQHAQQRYSA-N 448.526 5.657 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1cccc(C(=O)c2ccccc2)c1 762063199 SLVOGBOPWIULMB-MGPUTAFESA-N 428.488 5.646 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)c3cc(-c4cccs4)nc4ccccc34)CCO2)c1 762301543 AJRLYPIEJDDSJA-HSZRJFAPSA-N 425.513 5.049 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=S)Nc2ccc(C#N)c(Cl)c2)cc1 763125208 IXWMRCODOSYIQW-CQSZACIVSA-N 444.988 5.284 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)[C@@H]1CC=CCC1 764754607 HOMHMIWEPQABIU-SSDOTTSWSA-N 440.224 5.328 30 20 IKED CCCCN(C)c1ccc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 770095344 BRMOGKBSAZWUCU-GOSISDBHSA-N 434.565 5.002 30 20 IKED N#CCCCOc1cccc(CNc2ccc(NC(=O)CN3CCCCCCC3)cc2)c1 770551142 XNQFJOZCKASEPX-UHFFFAOYSA-N 434.584 5.186 30 20 IKED Cn1c(CC(=NOCc2noc(C3CCCCC3)n2)c2ccccc2)nc2ccccc21 772896609 NFDWZWULHAMQGD-UHFFFAOYSA-N 429.524 5.168 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(C(=S)Nc3ccccc3C#N)C2)n1 773208308 WZCWZLSHEUOOFG-QGZVFWFLSA-N 434.590 5.267 30 20 IKED C[C@@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 777174045 MNZYXZCKMKSZRG-CYBMUJFWSA-N 427.382 5.229 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)nn1-c1cccc(Cl)c1 777304114 MLGZKKXDCNHHBF-HNNXBMFYSA-N 447.709 5.102 30 20 IKED C=CC[C@H](NC(=O)N[C@@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1)c1ccncc1 777741984 YYLIAPVFNWOTQX-BDTNDASRSA-N 430.955 5.015 30 20 IKED C=CCC[C@H](C(=O)OCc1nnc(-c2ccc(Br)cc2)o1)c1ccccc1 778559781 VHPJPJHJXOXIJV-SFHVURJKSA-N 427.298 5.292 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 780673335 RDSWNRPDILFHOG-CYBMUJFWSA-N 446.454 5.441 30 20 IKED C[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 782237594 MJNADIJGNZSKDE-ZCFIWIBFSA-N 440.315 5.392 30 20 IKED CC(C)(C)Sc1ccc(NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 784256818 ILPGEPSTJLVHER-UHFFFAOYSA-N 446.532 5.213 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)OCCOCC(F)(F)C(F)(F)F 787780265 QNWWKTNUDDWRGA-UHFFFAOYSA-N 447.278 5.040 30 20 IKED CC(C)c1nn(Cc2ccccc2)c(Cl)c1C=NNc1nnc(-c2ccccn2)s1 788030428 OFUMPWOBYMJICU-UHFFFAOYSA-N 437.960 5.068 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 791884296 YQRCWAGMHAPDEM-SNVBAGLBSA-N 444.207 5.283 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C\C(=O)c1ccc(C(=O)N(C)C)cc1 792926432 QHHYLILCHOXQEX-QXMHVHEDSA-N 428.319 5.085 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)Cc2ccc(OCCOc3ccccc3)cc2)s1 797569797 XGPMWBJRCLGWPQ-OAQYLSRUSA-N 434.561 5.317 30 20 IKED CN(c1ccccc1)c1ccc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)cn1 797784853 LEUSANSHVUHOCW-MOSHPQCFSA-N 428.542 5.127 30 20 IKED CCCc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccccc2)cc1 797799534 KIJNIFRKVIMCQZ-UHFFFAOYSA-O 434.972 5.775 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC=C(Br)C3)cc2Cl)c1 799396714 RJLYYDMJGGQXQI-UHFFFAOYSA-N 446.732 5.307 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 806258334 KDGUMAWXOHYVIK-UHFFFAOYSA-N 427.549 5.421 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 806263494 NVEFTKJTUWZSRD-HYBUGGRVSA-N 445.588 5.706 30 20 IKED O=C1C[C@H](C(=O)O[C@@H](c2ccc(C(F)(F)F)cc2)C(F)(F)F)c2ccc(F)cc2N1 809128256 RDLDGTPWBPCIDG-BBRMVZONSA-N 435.295 5.117 30 20 IKED C[C@@H](NC(=O)[C@@H](C#N)C(=O)c1cc2cc(Cl)sc2[nH]1)c1ccc(Cl)cc1Cl 810709419 AHYNXDLWCSJSPW-PELKAZGASA-N 440.739 5.389 30 20 IKED CC(=O)N(c1ccc(NCc2cccc(OCc3cccc(C#N)c3)c2)cc1)[C@H]1C[C@H]1C 815163039 GXTCKSKIJJLISZ-WINIVTDRSA-N 425.532 5.511 30 20 IKED CC(C)n1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(C2CCOCC2)n1 856622038 IFTNLJBQXYQEPU-UHFFFAOYSA-N 430.508 5.274 30 20 IKED CC(C)C(=O)Nc1cccc(N=Cc2cc(Br)cc(Br)c2O)c1 914701703 MYPIDUAGIKJSKG-UHFFFAOYSA-N 440.135 5.262 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2SCc2cscn2)cc1 915085651 OKVNQOWFWQKHTK-HSZRJFAPSA-N 441.581 6.343 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 915086400 JTSJFPGMZXVXRA-QFIPXVFZSA-N 426.476 5.103 30 20 IKED N#C[C@H](C(=O)CCCNC(=O)NC1CCCCC1)c1nc(-c2ccc(Cl)cc2)cs1 915102393 YEHNLTJCPCLMLM-GOSISDBHSA-N 444.988 5.052 30 20 IKED N#C[C@@H](C(=O)COc1cc(Cl)c(Cl)cc1Cl)c1nc2ccccc2n1C(F)F 915107062 KYCZJGVZGJVSLH-VIFPVBQESA-N 444.652 5.647 30 20 IKED N#C[C@@H](C(=O)COc1ccc2cc(Br)ccc2c1)c1ccc2ccccc2n1 916848431 KKHBICPBGJTSMG-HXUWFJFHSA-N 431.289 5.406 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1 916907711 ZYRZMPONYVNAIJ-MBSDFSHPSA-N 441.531 5.308 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cnn(-c3cccc(Cl)c3)c2C)cc1 916915797 PGGNTTWPYVCYSN-OAQYLSRUSA-N 434.927 5.138 30 20 IKED C=CCN(Cc1ccc(OC)cc1)Cn1nc(-c2ccncc2)n(-c2ccccc2)c1=S 917484748 COGZSGSIULONAJ-UHFFFAOYSA-N 443.576 5.120 30 20 IKED N#Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)s2)SC1=S 917644815 MFGDQRVFUFUDPF-ODLFYWEKSA-N 449.538 5.601 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc[nH]c4nccc3-4)CCC2)cc1 1789452095 ZVAMJXMXWBGGTE-HXUWFJFHSA-N 428.536 5.031 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(F)c(F)cc4F)cc3)CCC2)c1 1790636085 QXZCZXZQIIGUBS-UHFFFAOYSA-N 449.432 5.037 30 20 IKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)C[C@@H]4C[C@@H]5CC[C@H]4C5)CCC3)cc2)c1 1790766645 CDZMFRIPVDHTNS-HOJAQTOUSA-N 445.538 5.271 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(Cl)c3)CCC2)cc1 1791593627 YNCZIGKAJYEMOW-UHFFFAOYSA-N 426.944 5.451 30 20 IKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc2)c(Cl)c1 1792111956 QXDAWDDODZSJFZ-JFLMPSFJSA-N 449.938 5.108 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2c(Cl)cccc2s1 1797649902 LYZCYOIUMMCAQC-XMTFNYHQSA-N 443.012 5.575 30 20 IKED CC(C)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@H](C)C#N)c2)cc1 1803681236 MPEAWQXDWBRMJA-FUJBWUKOSA-N 429.564 5.003 30 20 IKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)[C@@H](c4ccc(Cl)cc4)C(C)C)CC3)C2)C1 1804785835 XKOBVUUBQXUXDW-HSZRJFAPSA-N 443.031 5.277 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc(C(F)F)c2)CC1 1824139778 QOBVYEBQTNWVJQ-QFIPXVFZSA-N 445.554 5.021 30 20 IKED CC/C=C(\C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828909000 YAUSXJBJYUNSJI-NWKGEQBZSA-N 430.709 5.014 30 20 IKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1 1831850215 URWXUWBSRKKFOE-VLYJIQRVSA-N 426.645 5.016 30 20 IKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 1831853039 IJVYZWAQUFKEDT-MHZLTWQESA-N 442.603 5.390 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(N(C)C)cc2)cc1 10173902 FRDKDOVLBGVUHK-UHFFFAOYSA-O 448.612 5.107 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2cccc(C)c2)c1 10760542 RWUAGDAYOPVFIV-UHFFFAOYSA-O 427.952 5.743 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc([N+](=O)[O-])cc1)=C(/S)Nc1c(C)cccc1C 11153179 ATHQUBLNLLMFKP-UHFFFAOYSA-O 434.541 5.112 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2c(C)cccc2C)cc1 11153628 HAIDZENDNASNGO-UHFFFAOYSA-O 431.625 6.328 30 20 IKED C=CCn1c(S[C@H](C)c2nc(N)c3c(C)c(C)sc3n2)nnc1-c1ccc(F)cc1 11200284 UJHUGAYKGKVAFY-CYBMUJFWSA-N 440.573 5.327 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc(C(CC)CC)cc2)cc1 22730086 CTNRGRYAZWPGFT-UHFFFAOYSA-O 447.624 6.327 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)CC)nc2sc(-c3ccccc3)c(C)c2c1=O 26640022 DVCKVTDHFUXOQH-HOCLYGCPSA-N 441.622 5.015 30 20 IKED C=CCn1c(SCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)nnc1-c1ccoc1C 33503973 DCUZIIYCKFHOLN-KGENOOAVSA-N 434.565 5.005 30 20 IKED CC(C)c1ccc(CSc2nnc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)s2)cc1 36253099 VOFJDBNAJDYNQI-QVKFZJNVSA-N 448.683 5.489 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 63392047 VBEVPSFOWRVYJK-UHFFFAOYSA-N 436.515 5.423 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(S(=O)(=O)C4CCCC4)cc3)cc2)cc1 64943815 KTPHJWRMPYBPKC-UHFFFAOYSA-N 446.528 5.319 30 20 IKED Cc1ccccc1-n1ncc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c1C 303132196 CDWWQUQWCJWRIN-VWLOTQADSA-N 436.515 5.063 30 20 IKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccccc3SC[C@@H](C)C#N)C2)c1 303314746 RXXCKHFRYLXBCU-OALUTQOASA-N 436.581 5.129 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](Cc1ccccc1)c1ccccc1 303373018 KOZCNAWKBYIVCN-HYBUGGRVSA-N 429.589 5.450 30 20 IKED CN(C(=O)c1ccc(C#N)nc1)[C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 430547144 TWKPLYQWHSIJDB-HXUWFJFHSA-N 440.728 5.231 30 20 IKED N#Cc1cccc(COc2cccc(CN3CCC(c4ncc5n4CCCC5)CC3)c2)c1 435057351 KCLYYUHIZGEQAQ-UHFFFAOYSA-N 426.564 5.050 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)cc1 435060709 MHZHERZGXOQGQE-UHFFFAOYSA-N 429.907 5.159 30 20 IKED COc1cc(CSCc2nccn2CC(F)(F)F)ccc1OCc1cccc(C#N)c1 437263574 UBAVCUSQMZYJCT-UHFFFAOYSA-N 447.482 5.338 30 20 IKED Cc1nc(C)c(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)s1 437958893 UKYBUUZMFTZUJS-UHFFFAOYSA-N 426.929 5.186 30 20 IKED CCCc1c(NC(=O)c2c(-c3ccccc3Cl)noc2C)cnn1-c1cccc(C#N)c1 440090689 VQSHLBNASLCZJM-UHFFFAOYSA-N 445.910 5.566 30 20 IKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(Cl)cc1 442120521 PFTJIXCJYVBHJA-GOSISDBHSA-N 437.849 5.073 30 20 IKED CC[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1nc(C(F)(F)F)cs1 442189913 QJADLYUVURTZCF-SNVBAGLBSA-N 438.353 5.205 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CC(C)(C)CC(=O)c1ccccc1 442299090 QNVYRAVFSZXDHQ-UHFFFAOYSA-N 427.504 5.682 30 20 IKED CC[C@@H]1C(=O)N(c2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C(=O)N1C1CC1 445930124 OAVCYHCQXNEVGM-GOSISDBHSA-N 429.398 5.079 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(C(=O)Nc3ccc(F)c(C#N)c3)C2)n1 446171691 KEZUBGJUROOHFV-HNNXBMFYSA-N 436.512 5.241 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 460796403 UZCXCJIQOCOFBP-GOSISDBHSA-N 425.602 5.096 30 20 IKED C[C@@H](C(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C)c1cccc(C#N)c1 462143452 VSJZOYMTTINBAY-GFCCVEGCSA-N 432.833 5.373 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CC(c4ccccc4F)C3)cc2Cl)c1 463755664 MQRXHRBPOMEACD-UHFFFAOYSA-N 435.886 5.561 30 20 IKED N#CCCCOc1cccnc1NC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 466618401 FZPNYDDEWMNNNO-HNNXBMFYSA-N 446.351 5.208 30 20 IKED Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(Br)s1 471712453 DAZIEQKQQMFHHG-UHFFFAOYSA-N 445.313 5.661 30 20 IKED O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1ccc(Cl)cc1C(F)(F)F 471828050 UAALELILGYXQEJ-UHFFFAOYSA-N 430.707 5.285 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](c1cccc(Cl)c1)C1CCCCC1 472378549 AQTPSJXZSVTOHA-DEOSSOPVSA-N 426.992 5.437 30 20 IKED CCc1ccc(-c2noc([C@H](C)NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)n2)cc1 472444299 ABCAVJFFJUELFL-SFHVURJKSA-N 431.540 5.099 30 20 IKED Cc1ccc(-c2noc([C@@H](C)NC(=O)Nc3ccccc3S[C@H](C)CC#N)n2)cc1F 473824226 UWLFSUUUXUCNSF-HUUCEWRRSA-N 439.516 5.461 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)n1 474436338 DPERHOYQAFDUQM-CYBMUJFWSA-N 432.332 6.251 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 476116897 FUWCJQQBXCUPLS-OYRHEFFESA-N 448.607 5.959 30 20 IKED Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)Nc1ccc(C#N)c(Cl)c1 477151451 OUAANDLLWAKMQF-UHFFFAOYSA-N 443.732 5.088 30 20 IKED CC(C)n1cc2c(n1)C[C@H](NC(=O)c1cccc(Oc3cccc(Cl)c3C#N)c1)CC2 481862728 VWZOIMYREPCACB-GOSISDBHSA-N 434.927 5.069 30 20 IKED COCCN(C[C@H]1CC=CCC1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 484175907 DPUACXKZJQXOQD-QFIPXVFZSA-N 433.552 5.168 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)c1cc([N+](=O)[O-])ccc1C 484592233 QEWCHDXPHKAIMJ-OAHLLOKOSA-N 428.489 5.252 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)N[C@H](CCCC#N)c3ccccc3)s2)cc1OC 487346332 PENQPNBLSIHKKU-LJQANCHMSA-N 435.549 5.301 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3ccccc3-c3c(F)cccc3F)C2)n1 494497388 RKNIJHHIZSDDQB-GOSISDBHSA-N 432.474 5.062 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(-c4noc(C(F)F)n4)cc3)c2)cc1 496410362 HLKQESQIXCQIPA-UHFFFAOYSA-N 432.386 5.590 30 20 IKED C=CCN(CCc1ccco1)C(=O)N[C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 497631440 IFELGQDIPMYEQI-NRFANRHFSA-N 437.565 5.229 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](c1ccccc1)c1ccccc1C 497928797 XJUOAVQACVCVME-VWLOTQADSA-N 432.637 5.683 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1CC=C 499280645 AWFWBLCQVHTBHW-UHFFFAOYSA-N 440.569 5.279 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)CC1(Cc2nc3ccccc3s2)CCCCC1 505187271 JEEIINIFOLGLDR-UHFFFAOYSA-N 432.593 5.517 30 20 IKED CCCN(CCC)C(=O)c1cccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1 505348651 IIHRDXBXBKYTHX-LJQANCHMSA-N 432.351 5.250 30 20 IKED N#Cc1cc(NC(=O)c2ccccc2SCc2cscn2)ccc1OC(F)(F)F 508223011 AFYJGEQPFOTIMB-UHFFFAOYSA-N 435.452 5.458 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(Cc3ccc(-c4nc5ccccc5s4)o3)CC2)c1 512618435 RWLBQCSQJXBABM-UHFFFAOYSA-N 442.544 5.279 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(F)cc1 513536078 DUSBJMJCCWSJIE-UHFFFAOYSA-N 440.519 5.004 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)ccc1OCc1ccccc1Cl 513681380 AXKNPDVCLNIKEG-QGZVFWFLSA-N 448.931 6.027 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCc2c[nH]c3ccccc23)cc1 513877941 HNYOLQMKYVWEIM-UHFFFAOYSA-N 426.495 5.133 30 20 IKED CCOc1ccc(-c2nc(CC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cs2)cc1 514535046 IFGIURJNZHNMMP-UHFFFAOYSA-N 433.577 5.308 30 20 IKED CCc1cc(C#N)c(NC(=O)Cc2csc(-c3cc(Br)cs3)n2)s1 515711624 QYPKIAYKQGWJIY-UHFFFAOYSA-N 438.397 5.311 30 20 IKED N#C[C@@H](C(=O)c1cccc(OC2CCCC2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 517503277 NDVQCJOJMMMINP-SFHVURJKSA-N 433.533 5.087 30 20 IKED CCCCc1oc2ccccc2c1CN(C)C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C 517732094 ZVNJJHYNSYEMIE-UHFFFAOYSA-N 447.535 5.031 30 20 IKED CC(C)N(Cc1cccc(Br)c1)C(=O)Nc1ccccc1SC[C@H](C)C#N 518165087 DLHIKPUULMJZEL-MRXNPFEDSA-N 446.414 6.143 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 518753735 ZSZFHEHWSFRRKR-IFXJQAMLSA-N 434.392 6.757 30 20 IKED CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 518754323 GHOLHTVTIXKXHC-UHFFFAOYSA-N 432.499 5.085 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 519573652 UDMVAQJYPGKCCT-HOTGVXAUSA-N 448.466 5.225 30 20 IKED COc1ccc(Br)c(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1 521600313 IYOJTOWIKJSEQF-UHFFFAOYSA-N 441.256 5.513 30 20 IKED COC(=O)C[C@@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(SC)cc1 521748205 PUWRJRSDGVUJOQ-DNVCBOLYSA-N 443.594 5.086 30 20 IKED C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 523419246 ZTBPPABVSIIBAR-IIBYNOLFSA-N 433.914 6.286 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N(CCC)[C@@H](C)c2ccccc2Br)cc1 523421499 CSJYUFWPHGAQRG-INIZCTEOSA-N 444.373 5.370 30 20 IKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(C)n2[C@@H]2CCC[C@H](C)C2)ccc1Cl 534606487 YJDMYZYJHBDYNQ-HNAYVOBHSA-N 446.020 5.339 30 20 IKED COc1ccccc1[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccn1 535536590 CIUUPTVKVBECES-SBUREZEXSA-N 432.549 5.396 30 20 IKED CCCCc1ccc(N(C(=O)[C@@H](C)n2cnc(C#N)n2)c2nc3ccccc3s2)cc1 539502982 DILAOXNMEAIUAY-MRXNPFEDSA-N 430.537 5.028 30 20 IKED Cc1ccccc1OCCCC(=O)Nc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 540596662 VGLCNFGCBHVQIR-NRFANRHFSA-N 427.548 5.515 30 20 IKED N#CC1(c2ccc(C(=O)N(C/C=C/c3ccccc3)c3ccc4c(c3)OCCO4)cc2)CC1 540694198 LFUUBVDPMULFEY-QPJJXVBHSA-N 436.511 5.373 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 541035957 JOGJQHGJJQRROJ-PXNSSMCTSA-N 440.330 5.869 30 20 IKED COc1cc2c(cc1OC)CN(C(=O)N[C@@H](C)c1ccc(-c3cccc(C#N)c3)cc1)CC2 541157614 UPUWLIGVSNSBMP-SFHVURJKSA-N 441.531 5.071 30 20 IKED C=CCN(C(=O)Nc1cccc(C(F)F)c1Cl)[C@@H](C)c1cccc(-n2cnnn2)c1 543649683 DMNDBKRIDHIXQU-ZDUSSCGKSA-N 432.862 5.034 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@@H](c3cccc(F)c3F)C(F)(F)F)cc2)nc1 544059622 FLJDVVRFDCBWDW-IBGZPJMESA-N 433.336 5.057 30 20 IKED CN(C)C(=O)c1ccc(-c2noc(-c3ccc(Sc4ccccc4C#N)cc3)n2)cc1 545619519 VWSMTDVSUQVBAL-UHFFFAOYSA-N 426.501 5.128 30 20 IKED COC(=O)c1ccc(Cl)c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1C 546644076 OAUKKASQWFWGGM-UHFFFAOYSA-N 434.879 5.138 30 20 IKED CCN(C(=O)c1cc(C#N)cc(N(C)C)c1)[C@@H](c1cccnc1)c1csc2ccccc12 550649445 YPXSEEQFUOKYTP-VWLOTQADSA-N 440.572 5.486 30 20 IKED CC(=O)N(c1nc(CSc2cccc(F)c2C#N)cs1)c1c(C)cc(C)cc1C 555874022 JFNBNAVZNXINGN-UHFFFAOYSA-N 425.554 6.056 30 20 IKED Cc1c(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)sc2ccc(C#N)cc12 556503217 GZBZFLJXYGUAEP-UHFFFAOYSA-N 437.528 5.321 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C(=O)c2ccccc2)CC1 558984130 NOSQOHNQCFNXRT-UHFFFAOYSA-N 437.547 5.169 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)c1 561684499 IKQJNCZLOVSLCW-UHFFFAOYSA-N 433.773 5.328 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 570731108 QBHVAEWJBSNLEJ-UFYCRDLUSA-N 446.517 5.268 30 20 IKED Cc1cc(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)ccc1-c1ccncc1 574776320 XXCRYHGQJVTNAF-UHFFFAOYSA-N 448.482 5.298 30 20 IKED C=CCn1c(SCc2nnc(-c3cccc(Cl)c3)o2)nc2cc(Cl)ccc2c1=O 592561645 XWTJMKWZALXWGS-UHFFFAOYSA-N 445.331 5.232 30 20 IKED N#C[C@H](NC(=O)c1ccc(COc2ccccc2Br)cc1)c1ccc(F)cc1 604075271 OIUBPFGXNKUCCL-FQEVSTJZSA-N 439.284 5.162 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(Nc3ncccn3)c2)cc1 604254779 IZPCSVTVXWRENS-UHFFFAOYSA-N 435.487 5.118 30 20 IKED Cc1ccccc1CN1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 604363862 MHGWWOKIAJJDFQ-UHFFFAOYSA-N 440.547 5.399 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(C(=O)N[C@@H](C)CC)cc1C 606774785 UVRYHTPEOSQMDM-HNNXBMFYSA-N 434.458 5.359 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Br)cc2Cl)c1 608802386 YQZHJSJLMBSMKF-UHFFFAOYSA-N 431.673 5.398 30 20 IKED Cc1nc(NC2CCN(c3ccc(C#N)cn3)CC2)c2cc(-c3ccccc3)sc2n1 608974983 SGRLHPVBBVGBRR-UHFFFAOYSA-N 426.549 5.014 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 609078923 DKSMZOCVSYDENZ-RUZDIDTESA-N 445.950 6.468 30 20 IKED CCC[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccn1 609207558 DGHNHIHFZZZYBJ-JOCHJYFZSA-N 434.927 5.849 30 20 IKED CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 609927239 FRCPUBOFDDLQMI-KZULUSFZSA-N 441.837 5.050 30 20 IKED C[C@H](CCC(C)(C)C)NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609948401 ZIHDGNCMJIZQQR-MRXNPFEDSA-N 441.959 5.060 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N[C@H](C)c1cccc(C#N)c1 610363737 ZDBAZAFHHUDVGF-CYBMUJFWSA-N 441.915 5.464 30 20 IKED CCC(CC)n1c(COc2ccccc2Cl)nnc1SCc1ccnc(C#N)c1 610955088 QBRTXNROVMIVHY-UHFFFAOYSA-N 427.961 5.431 30 20 IKED N#CCCN(C(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1)c1cccc(Cl)c1 612573134 PZLBIRVYOUZQMF-UHFFFAOYSA-N 436.870 5.036 30 20 IKED O=C(NCc1ccc(F)cc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618551610 YYRCVPDDCOWAQB-UWVGGRQHSA-N 440.281 5.117 30 20 IKED N#C[C@@H](C(=O)c1cnc2c(cnn2Cc2ccccc2)c1)c1nc(-c2ccccc2)cs1 642281584 LMJXEUPXUOTMIM-NRFANRHFSA-N 435.512 5.093 30 20 IKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cc(C3CC3)nc21 642282408 PAVMFZSSWPGEBN-HNNXBMFYSA-N 434.450 5.124 30 20 IKED O=C(c1ccc(Oc2ccc(F)c(F)c2)cc1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674445717 UVXWEULLVQRWDT-ZIAGYGMSSA-N 439.302 5.570 30 20 IKED O=C(Nc1cccc(C#Cc2ccccc2)c1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674554150 PSHACALOEQENJR-HDICACEKSA-N 426.360 5.291 30 20 IKED FC(F)(F)c1cnc2c(c1)[C@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)CCC2 681740437 VRJPGZGFTSAUON-GOMXZESMSA-N 434.346 5.977 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(s2)-c2ccccc2C(C)(C)C3)cc1 726858023 DNGDPNQWQIWOMO-LJQANCHMSA-N 430.529 5.219 30 20 IKED CC[C@H](c1ccccc1)c1nnc(SCC(=O)N(CCC#N)c2ccc(C)c(C)c2)o1 727690584 JHSISAHBCJSRIJ-OAQYLSRUSA-N 434.565 5.267 30 20 IKED CCOC(=O)Nc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 728187133 SFDYULLLUJBUGY-UHFFFAOYSA-N 433.439 5.097 30 20 IKED C=CCn1c(-c2ccccc2F)nn(CN2CCO[C@H](c3ccccc3Cl)C2)c1=S 728904245 MWIVSOUYMQQRQJ-FQEVSTJZSA-N 444.963 5.091 30 20 IKED Cc1ccsc1-c1nnc(S[C@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)o1 730150062 GNXJUXLGUOTJMQ-IIMQCXAKSA-N 425.579 5.468 30 20 IKED N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 730396951 VCLLWYVYUQFVBS-MRXNPFEDSA-N 436.455 5.085 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CCC2)cc1C 730460045 SWDSDVZRGBTYOB-FQEVSTJZSA-N 443.519 5.094 30 20 IKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(C2CCC2)C1=O 730460991 JOCUGQMOYXKZMG-LJQANCHMSA-N 445.947 5.300 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3cc(Br)cs3)n2)cc1 730686726 IITONDAVYUJXAE-INIZCTEOSA-N 431.380 5.752 30 20 IKED Cc1c(C(=O)/C=C/c2csc(-c3cccc([N+](=O)[O-])c3)n2)cnn1-c1ccc(F)cc1 733083666 OKSYGEPJSUJKPK-JXMROGBWSA-N 434.452 5.248 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)OCc2ccc(OCc3cccnc3)cc2)o1 733455765 FPAIIVSABHDVCU-UHFFFAOYSA-N 440.455 5.061 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc3c(ccn3CC(C)C)c2)ccc1OC 733631826 KIPFCCADEAAYIA-OAQYLSRUSA-N 434.540 5.309 30 20 IKED N#Cc1ccc(NC(=S)Nc2cccc(C[S@](=O)c3ccccc3)c2)cc1Cl 734385625 GLQNCFDFJQSBHL-NDEPHWFRSA-N 425.966 5.328 30 20 IKED CCCCC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)C(C)(C)C 734698390 LNJFHCVVRGTZFE-OAQYLSRUSA-N 436.556 5.104 30 20 IKED CC(=O)Nc1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c(F)cc1F 735004855 JUELLFCNKZIMRI-UHFFFAOYSA-N 441.821 5.493 30 20 IKED CC(C)c1cccc(C(C)C)c1NC(=O)CSCc1cc(Cl)ccc1OCC#N 735319776 BBRMYLAIQVFGBI-UHFFFAOYSA-N 431.001 6.361 30 20 IKED Cc1cc(-c2ccc(NC(=O)C3(C#N)CCC3)c(C)c2)ccc1NC(=O)C1(C#N)CCC1 742901533 ZNTFWNHAJACVID-UHFFFAOYSA-N 426.520 5.235 30 20 IKED CCC[C@H](CCc1ccccc1)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 743926503 WHLIUZXXRCWQOL-RSXGOPAZSA-N 439.559 5.198 30 20 IKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cccc(CSc2cc(C)ccc2C)c1 744030369 FODYJCWSQRGGRM-NRFANRHFSA-N 444.556 5.566 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCN(c4ccc(C(C)C)cc4)C3=O)n2)cc1 744030950 HAVAAFUYQFCIKL-YADHBBJMSA-N 443.572 5.471 30 20 IKED Cc1cc(C(=O)OCc2nnc(-c3cccc(C#N)c3)o2)c(C)n1-c1ccc(Cl)cc1 744825764 MHKIZPANSCEHKR-UHFFFAOYSA-N 432.867 5.026 30 20 IKED N#CCOc1ccc(CNC(=O)NC2(c3cccc(C(F)(F)F)c3)CCCCC2)cc1 745799764 UDDBUDPSBSFLNR-UHFFFAOYSA-N 431.458 5.267 30 20 IKED C=CC[C@H](NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1ccncc1 745825530 KGMCWQGXTFWSPZ-URXFXBBRSA-N 449.938 5.212 30 20 IKED Cc1nc(-c2cccs2)sc1C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 746188048 AHGFBAUNCDVLBG-UHFFFAOYSA-N 435.530 5.088 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)s2)c(C)c1 746416832 QEKDRQGFSXZCIL-LJQANCHMSA-N 427.529 5.730 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2cccc(Cl)c2)cc1 750395277 MNPWMROFJFKCEK-FQEVSTJZSA-N 434.879 5.492 30 20 IKED Cc1nccn1-c1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)cc1 751517010 HYRNSFIJYWPHIO-NTEUORMPSA-N 441.918 5.983 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2Cc3ccccc3C[C@@H]2c2ccccc2)cc1C#N 752304964 JTRKYYFIXMSYGB-XMMPIXPASA-N 440.503 5.458 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\CCc3c(Cl)cccc3C2=O)cs1 758040446 QHOIFHQFKIUXOE-SDNWHVSQSA-N 443.355 6.347 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)C[C@@H](O)c1ccccc1 758600645 BUTLJZRHUGYTIK-UQBPGWFLSA-N 429.520 5.079 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)c1 763617769 PXROYJWKZRKQER-IBGZPJMESA-N 443.469 5.385 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN(C)Cc2ccccc2C(F)(F)F)c1=S 764864790 MIGXSYWEPPFXRW-UHFFFAOYSA-N 433.503 5.160 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(O)(c3ccccc3Cl)CC2)cc1 765620869 QYGZTTBOJSQCEC-UHFFFAOYSA-N 448.975 5.487 30 20 IKED N#C[C@H](C(=O)CCc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(SC(F)F)cc1 766842589 ZNTZLHYCMZNPKO-MRXNPFEDSA-N 442.409 5.300 30 20 IKED N#C[C@@H](Cc1ccc(F)cc1F)OC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 774318996 BJHOKKIPPURWRR-CYBMUJFWSA-N 439.270 5.687 30 20 IKED C[C@@H](ON=C(N)c1ccc(NC(C)(C)C)cn1)c1nnc(-c2ccc(Cl)cc2Cl)o1 774779004 XBYZPPOEVZKYSN-LLVKDONJSA-N 449.342 5.047 30 20 IKED COc1ccc2nc(Cl)c(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2c1 775479784 BXKZNEWFZHLPMZ-JOCHJYFZSA-N 427.891 5.805 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1coc(-c2ccccc2Cl)n1 776513853 AKOMSALZHXMBJI-LBPRGKRZSA-N 434.666 5.263 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 778285957 RNQDDKJOLPFTMY-VWLOTQADSA-N 446.934 5.590 30 20 IKED Cc1nc2c(s1)[C@H](NC(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)CCC2 780502120 WUAJSZLCEDXJLG-GHTZIAJQSA-N 436.968 5.960 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 780502197 XOUYOOCQNPSKDF-JXFKEZNVSA-N 430.895 5.930 30 20 IKED N#C[C@@H]1C(CN2CCCCC[C@@H]2/C=C\c2cccs2)=CC(=O)n2c1nc1ccccc12 783030405 IIKGELJNQXSAPG-KGWQINORSA-N 428.561 5.243 30 20 IKED C#CCCOc1ccc(CN[C@H](Cc2ccccn2)c2ccc(Br)cc2)cc1 788970480 UBQSZMIDNKCCDI-XMMPIXPASA-N 435.365 5.320 30 20 IKED CC[C@](C)(C#N)C(=O)Oc1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1 797149268 XVNRGLMDYTXHDH-HXUWFJFHSA-N 426.270 5.011 30 20 IKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(COC(=O)CCCCCC#N)cs1 805696579 FLWCDEFEURBODM-UHFFFAOYSA-N 440.352 5.652 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1ccc(N2CCCOC2=O)cc1 814635675 JFZFVIMXMQUWCJ-IRXDYDNUSA-N 438.553 5.168 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccncc2)n1)c1nc(-c2ccccc2)cs1 814854388 XCQBXBRMOVDVSQ-UHFFFAOYSA-N 440.454 5.517 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cc(-c3nc[nH]n3)ccc2F)cc1 819556717 FLGFDWQFARVQQH-UHFFFAOYSA-N 429.480 5.027 30 20 IKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@H](C)c3ccccn3)C2=O)cc1 837517050 JLLWRUPOIYUTLL-XMSQKQJNSA-N 444.560 5.112 30 20 IKED CC(C)n1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(C2CCOCC2)n1 856623737 PASUCSVCPNBPOA-UHFFFAOYSA-N 430.508 5.274 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1SCc1ccccc1 915618882 UOHDBWAODREVMR-UHFFFAOYSA-N 432.545 5.657 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1SC(F)(F)F 915860203 NGCFTJNVWAFQGP-UHFFFAOYSA-N 429.423 5.918 30 20 IKED N#C[C@@H](C(=O)Cc1c(Cl)cccc1Cl)c1nc(O)c2c3c(sc2n1)CCCC3 916654280 XCHMFDVNKMKYKD-LBPRGKRZSA-N 432.332 5.001 30 20 IKED Cn1c([C@H](C#N)C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2ccccc21 916844148 WKYYDXRSMNUOIT-LQYUOIDQSA-N 437.343 5.501 30 20 IKED N#C[C@@H](C(=O)CSc1ccc2ccccc2c1)c1nc(O)c2c3c(sc2n1)CCCC3 916848001 XWTPRSVMZBWYKD-SFHVURJKSA-N 445.569 5.397 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C=C\c1ccc(C)cc1Br 916902071 BPOXLKHYHXQRMC-JZHDPFOFSA-N 439.353 5.243 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCSc1nc2ccccc2s1 916905147 AWRIKDDUPDJKGX-KRWDZBQOSA-N 437.590 5.251 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCCc1ccc(Cl)c(Cl)c1 916906768 VMDPQBRSBGUWPU-GOSISDBHSA-N 431.363 5.788 30 20 IKED Cc1oc(-c2ccccc2)nc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916906910 WGUUCZWWTRCJDY-FQEVSTJZSA-N 437.455 5.404 30 20 IKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cnn1-c1ccc(Cl)cc1 916945788 ZHNVBZLKLKPBCK-QGZVFWFLSA-N 447.709 5.102 30 20 IKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccc3ccccc3c2)[n+]2ccccc2)N=C1C 917610033 JWDSCFNTVVYTQV-UHFFFAOYSA-O 442.564 5.445 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)c4ccccc34)n2)cc1 920141915 IYXFHWXDOCWCPQ-IBGZPJMESA-N 448.931 5.881 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)Nc3ccccn3)cc2)CCC1 1789659716 YJHSXKJKPVOUDH-IBGZPJMESA-N 434.584 5.009 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cc4occc4n3-c3ccccc3)cc2)CCC1 1789994556 ISILMPZFQYZYDT-UHFFFAOYSA-N 439.515 5.547 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)s2)[C@H]1c1cccnc1 1805527635 VXRZEFITDGAOBI-YLJYHZDGSA-N 446.016 5.109 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H]3CC[C@H](C)CC3)[nH]n2)c1 1823215955 LHDGYXGVKCFBGR-FZONSQQESA-N 447.583 5.169 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(OCC)c2)CC1 1823753655 CRYBQINUGLNBSJ-DEOSSOPVSA-N 440.628 5.311 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC)c(F)c2)CC1 1823921105 YPHSJMZLIUKVRU-QFIPXVFZSA-N 444.591 5.060 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CSC2CCCC2)CC1 1824478635 LUBHCPARZXMKJR-PKTZIBPZSA-N 432.674 5.050 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC2Cc3ccccc3C2)CC1 1828829668 KXRNXQHCMCYGII-RRPNLBNLSA-N 448.651 5.180 30 20 IKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCCC(C)(C)C)CC1 1831574690 UXRXAXGMGFOBOW-FYYLOGMGSA-N 434.665 5.194 30 20 IKED N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-n1c2ccc(C#N)cc2c2cc(C#N)ccc21 2048532910 RJCJDTBBCLXBEX-UHFFFAOYSA-N 432.446 5.701 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccccc1 16823199 GQGJZSFWEVKPMV-CQSZACIVSA-N 432.471 5.269 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccc(CC)cc2)cc1 22729398 JIRBNSVJBSDNNR-UHFFFAOYSA-O 433.597 5.603 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@H](c2ccccc2)c2ccccn2)n(C2CCCCC2)c1C 27540242 AEDFHSCOPTVTRF-AREMUKBSSA-N 441.579 5.195 30 20 IKED CN(Cc1ccccc1NC(=O)N1CCCN(c2ccccc2C#N)CC1)C1CCCCC1 58531668 YZUUYHQTGJOKOX-UHFFFAOYSA-N 445.611 5.067 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 63287292 HMEGMSZWIWLQNZ-UHFFFAOYSA-N 436.537 5.233 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCCOc3ccccc3Cl)c2)c1 64933375 FNHGGCPYRMORJR-UHFFFAOYSA-N 433.895 5.262 30 20 IKED CC(C)c1c(/C(O)=N/c2nc(-c3ccccc3Cl)n[nH]2)cnn1-c1ccc(Cl)cc1 97576498 YSHHRMLGMPSVRR-UHFFFAOYSA-N 441.322 5.724 30 20 IKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cnn1-c1ccccc1F 107875876 GVIQXRGYTIKZPX-HXUWFJFHSA-N 444.897 5.881 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)Cc2csc(-c3ccccc3Cl)n2)cc1 111020456 UVFBXSRGRDSKIM-UHFFFAOYSA-N 425.941 5.352 30 20 IKED CCOC(=O)C1C/C(=C/c2ccc(O)c(Cl)c2)C(=O)/C(=C\c2ccc(O)c(Cl)c2)C1 209344587 IYUYNVLOICPSCE-DUGOVBPYSA-N 447.314 5.414 30 20 IKED C=C(C)COc1cc(CNCc2ccc(NC(=O)c3ccc(F)cc3)cc2)ccc1OC 237475200 QGDFOGFVYFZWCM-UHFFFAOYSA-N 434.511 5.331 30 20 IKED Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 303213584 SGZWPPZYHNCWAL-UHFFFAOYSA-N 436.515 5.142 30 20 IKED C=CCCc1ccccc1NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 410343679 HADOOUZNCCOPSL-UHFFFAOYSA-N 449.514 5.506 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)N1CC[C@H](CC(F)(F)F)C1 434207842 GZKRYEAFBNYGLU-SECBINFHSA-N 436.368 5.869 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 434365922 BAVNMQQLYWWYSG-UHFFFAOYSA-N 441.506 5.169 30 20 IKED CN(C(=O)c1ccc(COc2cccc(Br)c2)o1)c1cc(Cl)ccc1C#N 436005955 MIAFJJPPFYOCIE-UHFFFAOYSA-N 445.700 5.423 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)F)cc1F 437473998 NJQPNHVCRAVRSB-MSOLQXFVSA-N 438.405 5.833 30 20 IKED C[C@@H](CCc1cccn1C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 437966569 YPSJFPVMGDGWKW-KRWDZBQOSA-N 436.943 5.272 30 20 IKED N#Cc1ccc(NC(=O)NCC2(c3cccc(Cl)c3)CCOCC2)cc1C(F)(F)F 438646917 HKKKBECZENRJEQ-UHFFFAOYSA-N 437.849 5.100 30 20 IKED COc1ccc([C@@H](NCC(=O)Nc2ccc(CC#N)cc2)c2ccccc2Cl)c(C)c1 462167214 GOPIRBFKWYZFRS-RUZDIDTESA-N 433.939 5.041 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(-c2ccccc2C(F)(F)F)on1 462451312 LXOXKMKPWPTWMN-UHFFFAOYSA-N 432.446 5.356 30 20 IKED CCc1nc2ccc(Cl)cn2c1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 463393225 FEHZAMRJXNANLJ-UHFFFAOYSA-N 431.883 5.170 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N[C@H](C)CC(F)(F)F 464254965 CKXYKLMZTPOUPM-GFCCVEGCSA-N 425.476 5.096 30 20 IKED N#CCC[C@@H](NC(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1ccccc1 464309944 JEQYJLXILAHIJK-UXHICEINSA-N 434.540 5.671 30 20 IKED Cc1noc(C)c1CSc1ccccc1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 464411212 LTAHPKXSCBOPCN-MRXNPFEDSA-N 431.439 5.488 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1nc(O)c2cc(-c3ccccc3)sc2n1 464825869 BXQABBGNOOIHTB-LEWJYISDSA-N 426.545 5.336 30 20 IKED CO[C@@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccc(F)cc1 467708871 MIOFIZDJHQPUBH-DEOSSOPVSA-N 433.483 5.094 30 20 IKED CC[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(Br)c1 469153753 XMSNSTTWJXGMKL-FQEVSTJZSA-N 426.358 5.595 30 20 IKED Cn1ccc2cccc(NC(=O)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c21 472524182 WBOWDCLCZVZQPE-HXUWFJFHSA-N 442.906 5.064 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2nc(C3CCCC3)no2)cc1Cl 474170692 CGBBHBLIMYPHSK-FQEVSTJZSA-N 434.927 5.607 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 475575093 QAMZASQDDLXABR-OAQYLSRUSA-N 443.385 5.906 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 475615645 CCZHXZCMVPXBMP-HNAYVOBHSA-N 449.498 5.705 30 20 IKED COc1cc(C#N)cc(Cl)c1OCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 475876474 MFSJCPGIUXYXGS-KRWDZBQOSA-N 439.726 5.270 30 20 IKED N#CC[C@@H](CC(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1 476216018 GPALGHJNTRSMFX-KRWDZBQOSA-N 429.467 5.533 30 20 IKED N#CC[C@H](CC(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1)c1ccccc1 476687882 KPKHZNNUDQLUKF-SJLPKXTDSA-N 439.275 5.646 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc1 477611432 PAVGQGMBHVMUFE-UHFFFAOYSA-N 437.839 5.482 30 20 IKED CCc1ccc([C@@H](NCc2ccc(Cl)cc2C#N)c2cccc(S(C)(=O)=O)c2)cc1 478363002 QXKUMEAVDKMGDJ-XMMPIXPASA-N 438.980 5.057 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H](Nc2ccccc2)C1 478668237 MLGHSSBHOXSUEI-XMMPIXPASA-N 440.547 5.554 30 20 IKED N#C[C@H](C(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)c1nccc2ccccc12 483238261 RCFQWSKDVAKYTQ-NRFANRHFSA-N 434.524 5.698 30 20 IKED CCc1c(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cnn1-c1cccc(Cl)c1 485331516 DOHAPSPLSJPTRM-UHFFFAOYSA-N 449.942 5.035 30 20 IKED C=CCSc1ccccc1C(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 486403245 KYJCSYMISWDDMU-OAQYLSRUSA-N 426.969 5.206 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc2cc(Br)cnc12 486848681 WYQCLTKVSULUOV-QUCCMNQESA-N 435.325 5.301 30 20 IKED C=CCOc1ccccc1CNC(=O)NCc1cc(-c2c(OC)ccc3ccccc23)no1 487064817 JVMJSULFVBMRPH-UHFFFAOYSA-N 443.503 5.068 30 20 IKED COc1ccc(-n2c(SCc3ccccc3C(C)(C)C#N)nnc2-c2ccncc2)cc1 487205984 WKVUGGUIRIABTC-UHFFFAOYSA-N 441.560 5.431 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCC(=O)c2ccc(Cl)cc2)cc1 487993870 BVYXKKDAIBHNIV-UHFFFAOYSA-N 434.898 5.543 30 20 IKED C=CCn1c(SCc2ccc(OCc3nccn3C)cc2)nnc1-c1ccccc1C 488872879 BOVCVVUSLAOUES-UHFFFAOYSA-N 431.565 5.044 30 20 IKED CC(C)(C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1csc(-c2c(F)cccc2F)n1 495384226 QEWKXWTVCKOJGJ-UHFFFAOYSA-N 449.526 5.553 30 20 IKED C[C@H](c1ccco1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 496334608 VZNMMWCAPRBAMQ-GFCCVEGCSA-N 434.443 5.442 30 20 IKED Cc1onc(CC(=O)N2C[C@H](c3ccccc3Cl)c3c([nH]c4ccccc34)[C@@H]2C)c1C#N 499564563 SNCOOFOJCKNGLH-IFXJQAMLSA-N 444.922 5.267 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)COc1ccc(Br)cc1Cl 500994047 GPSDSVVQPRULND-UHFFFAOYSA-N 445.700 5.179 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2ccc(Oc3cccc(Br)c3)nc2)nc2ccccc21 503502180 OHRGRIFXIBPXOX-KRWDZBQOSA-N 447.292 5.013 30 20 IKED Cn1c([C@H](C#N)C(=O)c2ccc(Oc3cccc(Br)c3)nc2)nc2ccccc21 503502181 OHRGRIFXIBPXOX-QGZVFWFLSA-N 447.292 5.013 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 504013471 QFAFPJGMQBPMJN-UHFFFAOYSA-N 430.939 5.003 30 20 IKED O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1ccc(-c2noc(C(F)(F)F)n2)cc1 505545611 VLCSJXNPXBULBZ-UHFFFAOYSA-N 449.282 5.088 30 20 IKED N#C[C@H](NC(=O)CCc1ncc(-c2ccccc2Br)o1)c1ccc(Cl)cc1 505809268 NLKOCPSZVRGPNQ-KRWDZBQOSA-N 444.716 5.071 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](CSc2ccccc2)C1 508904849 WRSKXNWGAKIRSL-OYDLWJJNSA-N 446.620 5.328 30 20 IKED C[C@H]1C/C(=C/c2ccco2)c2nc3ccccc3c(C(=O)N3CCC(C)(C#N)CC3)c2C1 509415279 ISENIBGIJRADDY-ORKPOYISSA-N 425.532 5.717 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 509910424 KAGZIQSYRAIXJF-SANMLTNESA-N 441.531 5.709 30 20 IKED CCC(CC)C(=O)N1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 510680634 KUXCIKLRBNEQLG-UHFFFAOYSA-N 448.567 5.208 30 20 IKED CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c1C(C)C 511520102 KTLSIPRBNOURLR-JOCHJYFZSA-N 429.520 5.223 30 20 IKED Cc1ccccc1[C@H]1CCCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 511548306 UNJZWAVXIFETDW-LJQANCHMSA-N 435.578 5.380 30 20 IKED CN(C)c1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c(C(F)(F)F)c1 513265953 FMOREAVGKBVHEX-UHFFFAOYSA-N 439.437 5.474 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(Br)s2)cc1 513729444 YAQUCAXMHAVKMX-UHFFFAOYSA-N 429.295 5.435 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCNC(=O)c2ccccc2)cc1Cl 515240621 GONGOSDPMKSGNE-JOCHJYFZSA-N 431.923 5.144 30 20 IKED N#C[C@@H](C(=O)c1ccccc1OCc1ccccc1Br)c1nc2ccccc2o1 515597222 BJFQKDJZLIJNKG-KRWDZBQOSA-N 447.288 5.659 30 20 IKED N#Cc1cc(NC(=O)N2CCC(OCC3CCCCC3)CC2)ccc1OC(F)(F)F 517274550 IRDMITBYEGJYQS-UHFFFAOYSA-N 425.451 5.050 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 517473227 KKNOZAKEJZRJNV-PGRDOPGGSA-N 443.572 6.251 30 20 IKED C=C(C)CN1CCC(NC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)CC1 518496862 KIEKTCMTUNROJU-UHFFFAOYSA-N 438.568 5.635 30 20 IKED CCCOc1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1OCCC 520595614 MRUPRXWZHSARMO-UHFFFAOYSA-N 437.540 5.211 30 20 IKED Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)c1 520924496 ZDGLYVCUTGJOLB-VQTJNVASSA-N 435.593 5.189 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 525243860 NKZTWBFAQJBCDG-ZIAGYGMSSA-N 426.383 6.165 30 20 IKED Cn1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1NC(=O)c1c(F)cc(C#N)cc1F 531509298 SROMXVGSRAKJDS-UHFFFAOYSA-N 440.759 5.161 30 20 IKED Cc1nc(C(C)C)sc1[C@H](C)N(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N 535967907 AXBHJWCROHXTIC-WBVHZDCISA-N 430.643 5.601 30 20 IKED COc1ccccc1[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccccn1 536328285 KFUZHSDKRJIQOD-GAJHUEQPSA-N 432.549 5.253 30 20 IKED CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 538556709 NVPHNEUKOFEHGO-UHFFFAOYSA-N 446.528 5.080 30 20 IKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)c3ccccc3n2)cc1 540946936 TZIFKBMRCSVBFJ-OAQYLSRUSA-N 432.483 5.287 30 20 IKED CC(=O)N1CC[C@H](NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c2ccccc21 541147345 BMAOWTVUURBYHB-BVZFJXPGSA-N 438.531 5.083 30 20 IKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 542030939 XOTIFDRKCQYEJM-ZDUSSCGKSA-N 431.393 5.127 30 20 IKED COc1cccc([C@H]2[C@H](c3ccccc3)CCN2Cc2nnc(-c3ccc(C#N)cc3)o2)c1 543190107 NGUAZYNRZQUBPZ-AHWVRZQESA-N 436.515 5.348 30 20 IKED Cc1cc(NC(=O)c2ccc(Cl)cc2Sc2ccc(Cl)cc2)nn1CCC#N 543451263 JTSUKIBZZNKOLG-UHFFFAOYSA-N 431.348 5.816 30 20 IKED Cc1ccnc(OC2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)c1 543852232 LKEZJWDMYPQSTA-UHFFFAOYSA-N 428.492 5.129 30 20 IKED N#CC1(c2ccccn2)CCN(Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 548793092 ZWUCVOYNJTWPKH-UHFFFAOYSA-N 433.559 5.051 30 20 IKED O=C(Nc1ncc(C(F)(F)F)s1)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 549002514 DYHYBRMQSAKNEU-VIFPVBQESA-N 435.296 5.188 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)Nc1ccccc1Cc1ccccc1 549197270 RHFNYHKPBRIBBM-UHFFFAOYSA-N 441.918 5.065 30 20 IKED C[C@H]1CC[C@H](c2ccccc2)N(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 553172681 YKWLDOQULDVLTQ-PGRDOPGGSA-N 444.535 5.022 30 20 IKED C[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccccc1C(F)(F)F 557813121 QXRMSQULEUYJEG-CQSZACIVSA-N 435.421 5.030 30 20 IKED C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 559006510 VOLVYAVZOQGKHS-HNNXBMFYSA-N 448.518 5.084 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3c(F)cc(Br)cc3F)cc2)ccn1 565078036 ZHZHYBBLLQKJOD-UHFFFAOYSA-N 430.208 5.039 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)cc2Cl)cc1 573610971 SSTWFKCZWAHSIB-VXKWHMMOSA-N 437.927 5.569 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(F)cc1OC1CCOCC1 584548246 SANLFIFLWITRKI-OAHLLOKOSA-N 429.517 5.422 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C1CCN(c2nc3ccccc3s2)CC1 589288194 LCRQFBVPVKDSDD-UHFFFAOYSA-N 432.014 5.442 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590335859 HUVYJPUBOCLVCI-HTQZYQBOSA-N 440.281 5.876 30 20 IKED Cn1cc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(Cl)c2)c(-c2ccc(C#N)cc2)n1 602761774 ULLATNCAEGZIMH-XMMPIXPASA-N 439.906 5.383 30 20 IKED Cc1cc(-c2cc(C(=O)N(CC(C)C)c3ccc(C#N)cc3)c3c(C)noc3n2)c(C)o1 603529949 ZYKSDRMAWKWWHV-UHFFFAOYSA-N 428.492 5.583 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N 603763698 BILNQURGOCPKIS-UHFFFAOYSA-N 444.560 5.170 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(C[C@H](C)c3ccccc3)o2)c1C 603902273 AYPRFSAWAWCPDO-SFHVURJKSA-N 434.565 5.072 30 20 IKED C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 604003797 WVJHKAJRUNGAMD-MHECFPHRSA-N 439.515 5.178 30 20 IKED COc1cccc(CNC(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 604047750 RZXAOMXIHOHZQT-INIZCTEOSA-N 435.911 5.129 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H]3c3cccnc3)cc2Cl)c1 609079898 KPVHJEHHFUJFNN-QFIPXVFZSA-N 432.911 5.555 30 20 IKED CC(C)CC[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccc(Cl)cc1 609088045 PRNUBPGKWVBBOK-QGZVFWFLSA-N 449.885 5.045 30 20 IKED COc1ccc2c(c1)CCCN(C(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)C2 609137897 VLPPDFYOVWUXCX-XMMPIXPASA-N 445.950 5.984 30 20 IKED Cc1nc(-c2ccsc2)ccc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609378419 KZHUJEJHEXOFJH-UHFFFAOYSA-N 447.507 6.395 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 609434726 LZOWMQHWFFNJRB-LAUBAEHRSA-N 443.016 5.693 30 20 IKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 609520678 VLAMVROBNNGVHV-SHQCIBLASA-N 440.543 5.785 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CCc4c(O)cccc43)cc2Cl)c1 609844812 LWOQXUWLEDKPGO-OAQYLSRUSA-N 433.895 5.305 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3CSc3nc[nH]n3)cc2)cc1 609987338 GMZDECORUCQYSF-UHFFFAOYSA-N 427.489 5.013 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1 610598167 VQYDRTGUVSZPSQ-IYBDPMFKSA-N 444.400 5.522 30 20 IKED CN1CC[C@@H](CNC(=O)c2c(Cl)cc(C#N)cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 611197920 KTNGWIJUBYLKJS-DJJJIMSYSA-N 440.733 5.080 30 20 IKED Cc1cc(Cl)ccc1Cc1cnc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)s1 611477671 XXMWMMJIEXGNJB-UHFFFAOYSA-N 436.751 6.127 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)nnc1-c1ccncc1 613365214 PCXXTWXBRWMZAD-ZWKOTPCHSA-N 443.576 5.037 30 20 IKED COc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc4ccccc4o3)nn2-c2ccccc2)cc1 614439679 CZTIFLBDJZCECS-FQEVSTJZSA-N 434.455 5.179 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 618846943 COSXKSCLCSEOEG-GGAORHGYSA-N 429.499 5.012 30 20 IKED C=CCOc1ccc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)cc1OC 642227325 OJMBUTWWLUXCDE-UHFFFAOYSA-N 432.448 5.237 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1ccc2ccccc2n1 679536865 XITLOCIDTRCIQL-FQEVSTJZSA-N 448.457 5.945 30 20 IKED Cc1c(Br)ccc(NC(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1F 683959126 GNYWYCFUWQOODD-HTQZYQBOSA-N 437.153 5.101 30 20 IKED Cc1cc(Cl)ccc1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728297839 MCJQHBWBHLVDQZ-INIZCTEOSA-N 437.902 5.677 30 20 IKED Cc1ccc(Cn2nc(C)c(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c2Cl)cc1 730418046 XBRHDPSUWCOHSJ-MRXNPFEDSA-N 438.915 5.441 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(F)cc3NC(=O)c3ccoc3)cc2)c1 731345133 AXLPUXXMCCPFLF-UHFFFAOYSA-N 441.418 5.587 30 20 IKED N#Cc1ccccc1COc1cccc([C@@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)c1 731360688 NGOVMRRAGFWTPO-JOCHJYFZSA-N 437.421 5.266 30 20 IKED N#CCOc1ccc(CC(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc1 732062115 QEMGPCYREVCIRF-UHFFFAOYSA-N 434.883 5.068 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)CCn2c3ccccc3c3ccccc32)ccc1OC 733231166 ZLCZVYVGJRHOFQ-HXUWFJFHSA-N 441.531 5.191 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2ccc(C)cc2)c2ccc(OC)cc2)c1 733807477 VFSUTQBAFRRAMZ-JYFHCDHNSA-N 443.547 5.273 30 20 IKED C=C(Cl)CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1F 735969269 PLICRQFXVHSXJB-IBGZPJMESA-N 445.947 5.155 30 20 IKED CN(Cc1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)C(=O)OC(C)(C)C 737000521 KZLXVDURYVMTLF-UHFFFAOYSA-N 434.540 5.122 30 20 IKED C[C@H](Sc1nnc(CCc2ccccc2)o1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 742460932 IZMOBCCBALIXEW-JMMZKRSASA-N 433.577 5.216 30 20 IKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)cc1 742657592 PNNGDIIVHLWCRG-GOSISDBHSA-N 433.430 5.090 30 20 IKED CN1CCC[C@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)[C@@H]1c1cccs1 743092698 AZHRQRKJADPUTQ-NMVJMZGASA-N 444.604 5.608 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](CC(C)C)c2ccc(Cl)cc2)ccc1OC 745819024 IDQJEKNZDSAHKC-NHCUHLMSSA-N 443.975 5.616 30 20 IKED CC(C)(C)OC(=O)N1CCC(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 750692076 VVYKRQIFHQFMFN-HSZRJFAPSA-N 448.567 5.111 30 20 IKED CC(C)(C)O[C@@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1 754532277 SNLGYGJQAYJLAF-DNVCBOLYSA-N 432.467 6.048 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2cc3ccc(C)cc3o2)cs1)c1ccc(F)cc1F 754830421 QVJRSTUSSXOQMT-VURMDHGXSA-N 438.455 6.057 30 20 IKED CSc1ccc(C(=O)c2ccccc2C(=O)OCC2CCC(C#N)CC2)cc1[N+](=O)[O-] 755966752 UMKWCLMNEUWKEL-UHFFFAOYSA-N 438.505 5.034 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc2c(c1)CCCC2 761095628 JUCBJSNTRVJYPA-BCHFMIIMSA-N 437.543 5.037 30 20 IKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)o2)cc1 762385177 QBRBXIIDHFTENA-AREMUKBSSA-N 449.510 5.402 30 20 IKED CCc1cccc[n+]1/C(C(=S)Nc1cccc2ccccc12)=C(/O)c1ccc(C#N)cc1 762437393 IUFNYLMJQGQSBR-UHFFFAOYSA-O 436.560 5.885 30 20 IKED Cc1cc[n+](/C(C(=S)Nc2ccccc2-c2ccccc2)=C(/O)c2ccc(C#N)cc2)cc1 762441993 XHAXFXSDZSWSPD-UHFFFAOYSA-O 448.571 6.145 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN(C)[C@H]2CCCc3nc(CC)sc32)c1=S 765081715 YZGPVAIPXAXTRM-SFHVURJKSA-N 440.642 5.038 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)c1C#N 767291368 NKNRZCGASNKKEZ-HNNXBMFYSA-N 431.483 5.201 30 20 IKED Cc1nc(CON=Cc2c(C)nn(Cc3ccccc3)c2C)oc1-c1ccc(Cl)cc1 768517936 ISUOJQXVIVMKTB-UHFFFAOYSA-N 434.927 5.716 30 20 IKED CC(C)(C#N)CCCCOC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(F)cc1F 768672611 SYIAPVLZXOTSNX-HBGVWJBISA-N 432.511 5.001 30 20 IKED Cc1cc(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)ccc1NC(=O)OC(C)(C)C 772149605 DBGAXPFOOUHCSN-UHFFFAOYSA-N 445.523 5.269 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 777115141 OCUYXIHGDVVMJD-HNNXBMFYSA-N 436.556 5.264 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(Br)cc1C(F)(F)F 780678505 OAEZFXIUOAEBSR-LLVKDONJSA-N 442.235 5.080 30 20 IKED N#Cc1cccc(COc2ccc(NC3CCN(Cc4ccncc4)CC3)cc2Cl)c1 782160905 VXDMYJHSHTXLDX-UHFFFAOYSA-N 432.955 5.262 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)Nc1cccc(CSC2CCCCC2)c1 784946449 MHMZMTNJRFETRW-KRWDZBQOSA-N 437.565 5.121 30 20 IKED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(N2CCCCCC2)cc1 786959194 PRNIPGXACOFVQI-OAQYLSRUSA-N 430.596 5.823 30 20 IKED C[C@H](N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc(OCC#N)cc1 788984750 MYERJTYTGPOZPC-SBUREZEXSA-N 436.353 5.381 30 20 IKED N#CCCn1cc(C(=O)COC(=O)COc2ccc(-c3ccccc3)cc2)c2ccccc21 789744940 VJVTVKQHTCNCEY-UHFFFAOYSA-N 438.483 5.027 30 20 IKED C#C[C@H](CCC)N1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccsc1 790747854 HCDPQNMWOOAGHL-QUCCMNQESA-N 439.606 5.127 30 20 IKED N#Cc1cc(Br)cc(COC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1 790858442 WTWPVGWTGHDJPU-UHFFFAOYSA-N 445.700 5.305 30 20 IKED Cc1ccc(NC(=O)c2ccccc2OCC#N)cc1Oc1ncccc1Br 791090038 OEFVECBNQGOBFH-UHFFFAOYSA-N 438.281 5.100 30 20 IKED C[C@H](C#N)Oc1ccc(CNc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)cc1 793595703 VUXPYFXWISOQLR-IBVKSMDESA-N 425.532 5.567 30 20 IKED O=C([C@@H](F)c1ccc(C(F)(F)F)cc1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 857483579 CMGWYCOBPUYPNI-IRXDYDNUSA-N 435.339 5.335 30 20 IKED C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3csc(-c4ccccn4)n3)c12 915986817 FHWRQCWDPUKQJL-VAWYXSNFSA-N 425.517 5.198 30 20 IKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(Cl)c1 916215188 UFGYXUQGBNQYPW-LJQANCHMSA-N 427.957 5.103 30 20 IKED N#C[C@@H](C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1nc2ccccc2s1 916847964 ZDCCQIMAFIQTLS-IBGZPJMESA-N 446.915 5.436 30 20 IKED COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OC(=O)c1cccc(C#N)c1 916877809 HCVARDOMXGTGIL-UHFFFAOYSA-N 436.467 5.500 30 20 IKED N#C[C@@H](C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1ccc(Cl)cc1 916882452 FGYSJGQUIQLUIV-YPCOFMQESA-N 427.209 5.373 30 20 IKED N#C[C@H](C(=O)CSc1ccc2ccccc2c1)C(=O)Nc1ccc(SC(F)F)cc1 916888030 SUGYOSFWQYITJX-LJQANCHMSA-N 442.512 5.594 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 916915881 KOMQEJFRKPPJOR-HSZRJFAPSA-N 433.467 5.053 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cccc(OCc2cccs2)c1 916917692 GBOQQQNATQPCMW-QFIPXVFZSA-N 426.497 5.441 30 20 IKED C[C@@H](Oc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cn1)c1ccccc1 916918210 KCXTVKWXODQFCH-WZONZLPQSA-N 435.483 5.336 30 20 IKED CCN(CC)c1ccc2cc(C(=O)/C=C/c3ccc(OC(F)F)c(OC)c3)c(=O)oc2c1 917615676 XWRGPVPAJPUSOD-UXBLZVDNSA-N 443.446 5.145 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806092 UONRKGRCRFLSQS-IVZQSRNASA-N 437.471 5.240 30 20 IKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)cn1C 1789508833 OYYKBJXWXBSQHO-UHFFFAOYSA-N 449.671 5.132 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)CS[C@@H]3CCCCO3)cc2)CCC1 1789543633 KOYWIMYYFVRYLX-JOCHJYFZSA-N 444.641 5.373 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@H](C)c3ccc(C)cc3)cc2)CCC1 1791346197 ONQBQGHOJSDUNQ-OAQYLSRUSA-N 434.580 5.215 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)n4cccc4)CCC3)cc2)c1 1792126225 BSTWVGJBNFBZQJ-VQTJNVASSA-N 440.547 5.124 30 20 IKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccc(C)cc1)C2 1793048940 DSWCJNJVQRXECH-BKFWDETESA-N 443.591 5.077 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3ccc(Cl)cc3[nH]1)C2 1798591252 XLRADKZVUUDYLX-REPLKXPHSA-N 427.976 5.066 30 20 IKED Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)CCC#N)CC2)c2ccccc12 1826695347 OBKVKRGASCQOSB-AREMUKBSSA-N 445.607 5.004 30 20 IKED Cc1cscc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1827807100 PHDPNAJFDXIFHT-MHECFPHRSA-N 449.620 5.231 30 20 IKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 1828457342 ANAZJJHQGPWOAL-BUZMGHMJSA-N 446.701 5.132 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C(C)=C/c2cccs2)CC1 1828825304 UXISKKOZWBUZKJ-VYQUXUJXSA-N 440.653 5.540 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 1828827860 XYZVRRMKCNRUQF-BVAGGSTKSA-N 447.623 5.099 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC=CCC2)CC1 1828906845 LDYWXNGZBOUKLM-BJKOFHAPSA-N 442.720 5.014 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)cc2OC)CC1 1832580700 IJXWAIZXKCCAQJ-DEOSSOPVSA-N 438.612 5.005 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2ccccc2Oc2ccccc2)C1 1844867792 XSGKTYFAOLJBHL-UHFFFAOYSA-N 432.564 5.288 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Br)cc2)nnc1-c1ccccc1 9447640 FHJLZUKEUKNPRJ-CQSZACIVSA-N 443.370 5.013 30 20 IKED O=C(/C(=C(\S)Nc1ccccc1C(F)(F)F)[n+]1ccccc1)c1ccc2c(c1)CCC2 11157795 NMTWLAFFKFTBEP-UHFFFAOYSA-O 441.498 5.533 30 20 IKED Cc1cccc2c1N=C(O)/C2=N\Nc1nc2ccccc2c(=O)n1-c1ccc(C(C)C)cc1 19334085 PJVHELNXCPNUPI-UHFFFAOYSA-N 437.503 5.235 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)=C(/S)Nc1ccc(C)cc1C 22729559 LIDNQEGHNLKEFH-UHFFFAOYSA-O 448.568 5.421 30 20 IKED C[C@H](Sc1nccn1-c1ccc(Cl)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 24320555 VKJQFOQGIYKXLB-HNNXBMFYSA-N 428.920 5.092 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)c2C#N)C1 33000076 WEKULDGCPFUSPF-CYBMUJFWSA-N 440.956 5.409 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccccc1SCc1cscn1 45930043 CDVMJRHDOHBXTJ-UHFFFAOYSA-N 427.554 5.483 30 20 IKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc12 60477176 RZZJEJKMNIBELE-AWEZNQCLSA-N 448.960 6.149 30 20 IKED Cc1ccc(C#N)cc1NC(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 63962286 AGHMZMJFGZDNEW-UHFFFAOYSA-N 448.320 5.063 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2cc(C#N)ccc2C)c(OC)c1 63962539 BGODIYAFAMDHKT-UHFFFAOYSA-N 439.515 5.604 30 20 IKED Cc1ccc2nc([C@H]3CCCN3C(=O)c3cccc(OCc4ccccc4C#N)c3)[nH]c2c1 72048762 NYKNPJWPKMCDJC-RUZDIDTESA-N 436.515 5.299 30 20 IKED O=C(Cc1csc(NC(=O)c2cccs2)n1)Nc1cccc(C#Cc2cccs2)c1 115574880 FELKSTAZGKZTPF-UHFFFAOYSA-N 449.582 5.099 30 20 IKED N#CCCn1cc(C(=O)CSc2ncnc3sc4c(c23)CCCC4)c2ccccc21 255941276 KNHCYSKLHNVMDQ-UHFFFAOYSA-N 432.574 5.413 30 20 IKED O=C(COc1ccc(C(=O)/C=C/c2cnc(-c3ccccc3)s2)cc1)Nc1ccccc1 303171971 RPDMKKHIKFUZFI-FOCLMDBBSA-N 440.524 5.724 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1csc(CCc2ccccc2)n1 409794630 MVCFQVDUAGJCJR-UHFFFAOYSA-N 440.528 5.548 30 20 IKED N#C[C@H](C(=O)c1c[nH]c(C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 429685789 MSSIIQALVFRHBX-LLVKDONJSA-N 430.238 5.954 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)cc1 432696056 AMZSRBBYXBSERJ-QGZVFWFLSA-N 426.358 5.347 30 20 IKED Cc1oc(C#N)cc1C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 436125946 LBKDUEAEYUPYDH-UHFFFAOYSA-N 425.322 5.163 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1 439536750 OBCRPZHNWNRUAC-UHFFFAOYSA-N 440.286 5.021 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)N(CCC#N)c2ccccc2)cc1 439567906 HNVBIANJUDSFPU-LJQANCHMSA-N 440.503 5.106 30 20 IKED CCc1ccc(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1CC 440827664 ZFGPJPUJAKIIBA-UHFFFAOYSA-N 449.498 5.413 30 20 IKED Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 441772081 BWYBTVOAYUSGKA-ZBFHGGJFSA-N 444.626 5.127 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cc2c(cc1F)CCC(=O)N2)c1ccc(C(F)(F)F)cc1 442225069 WPNOLTFPFHWFRK-QGZVFWFLSA-N 435.421 5.558 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(-c3ccco3)nn2C(C)C)cc1C 447860026 BTFGOKLVFYONFE-UHFFFAOYSA-N 442.523 5.370 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)c2cncc(Br)c2)c1 460341813 XVVGOTBWNGMVAV-UHFFFAOYSA-N 426.701 5.216 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCS[C@@H]3c3ccc([N+](=O)[O-])cc3)c2)cc1 460368660 ZEQPJDNODQEZEZ-HSZRJFAPSA-N 431.473 5.147 30 20 IKED C[C@H](NC(=O)NCc1ncc(-c2ccccc2)cn1)c1ccc(-c2cccc(C#N)c2)cc1 461957187 OUNUAVKKAIYAPN-IBGZPJMESA-N 433.515 5.243 30 20 IKED CC(C)(C#N)CCSc1nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2o1 463250924 QCLAMNFXALAWHW-UHFFFAOYSA-N 435.958 5.314 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@](CO)(c4ccccc4)C3)cc2Cl)cc1 463500155 KVNRCEXORMUTFA-VWLOTQADSA-N 447.922 5.172 30 20 IKED CN1CCC[C@@H](CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)[C@H]1c1cccs1 466097583 HNJRTFJPEIWKIJ-CYFREDJKSA-N 446.576 5.617 30 20 IKED COc1ccc2c(c1)CN(C(=O)CCCCOc1cccc(C#N)c1)[C@@H](c1ccccc1)C2 469457049 NLFYXSBNDOQZFJ-HHHXNRCGSA-N 440.543 5.442 30 20 IKED Cc1cnccc1OC1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1 470420739 YKJDHBHRBIWRFN-UHFFFAOYSA-N 429.545 5.097 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2ccc(Oc3cccc(Br)c3)nc2)n1 474420250 DPHOTLGCKAITGF-MRXNPFEDSA-N 442.338 5.706 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Br)ccc1N1CCCC1 479274608 ACZJALGVGARCCU-UHFFFAOYSA-N 441.373 5.363 30 20 IKED N#C[C@H](C(=O)c1oc2ccccc2c1CSc1cccs1)c1cnc2ccccc2n1 483238447 CZHMJCXLENOOBD-INIZCTEOSA-N 441.537 6.220 30 20 IKED C=CCc1cc(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)cc(OC)c1OC 483240094 MXJAETQNZDOOHC-UHFFFAOYSA-N 430.504 5.245 30 20 IKED C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1cccc(Cl)c1Oc1cccnc1 483277477 RRNINCSGQOOQKC-UHFFFAOYSA-N 427.932 5.061 30 20 IKED O=C(Nc1c(F)cc(F)cc1Br)N[C@H](c1cccc(F)c1F)C(F)(F)F 487196736 YTIMWQDLALRDMO-CYBMUJFWSA-N 445.132 5.431 30 20 IKED C=CCn1c(S[C@H](C)c2cnc(C)cn2)nc2scc(-c3cccs3)c2c1=O 488263559 NPJSHVRDFRCFFV-CYBMUJFWSA-N 426.592 5.324 30 20 IKED C=C(C)Cn1c(S[C@@H](C(=O)N2c3ccccc3C[C@@H]2C)C(C)C)nnc1-c1ccncc1 489389875 KRNCYGHJIPMNKN-PGRDOPGGSA-N 447.608 5.011 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3c(O)c(Cl)cc(Cl)c3Cl)cc2)nc1 496882462 QPUVAYLWIHRFEZ-UHFFFAOYSA-N 434.666 5.664 30 20 IKED C=CCN(CCc1ccco1)C(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 497643454 QMOVVIJQKPTHRT-UHFFFAOYSA-N 440.547 5.132 30 20 IKED Cc1cccc([C@@H](NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)c2ccccn2)c1 498991460 OMEPNHYSVYGXCC-QGPIEZSZSA-N 440.547 5.041 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)cc1 505731439 MUXYDDAKVSONBY-UHFFFAOYSA-N 448.482 5.037 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)N[C@H](C)c2ccccc2OC)cc1 507815363 ZVHWOQQWSUIDQZ-MSOLQXFVSA-N 445.519 5.046 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(-c2ccccc2)ccc1C#N 510181265 PMUCGHIMSGSLDT-QGZVFWFLSA-N 444.585 5.745 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2-n2ccnc2)cc1Cl 510917863 DAPYYWHKPJPAEZ-QFIPXVFZSA-N 441.922 5.503 30 20 IKED C=CCOc1c(Br)cc(CNc2ccc(C(=O)N(CC)CC)cc2)cc1OC 512628061 KBPQLQBGRFFZKX-UHFFFAOYSA-N 447.373 5.117 30 20 IKED C[C@@H](N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(C#N)cc1F 512631223 QAFSXVSYNKNINQ-CMJOXMDJSA-N 442.943 5.194 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)C1(c2ccccc2)CC1 516754737 AALNRBPFALOOGA-IBGZPJMESA-N 433.577 5.133 30 20 IKED C=CCN(Cc1cccs1)C(=O)N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C 518047349 PXFIKACMBKNHJK-HNNXBMFYSA-N 432.014 6.292 30 20 IKED C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(OCc2ccccc2)cc1 519406919 FTDIITRWRZGPMD-SFHVURJKSA-N 438.574 5.318 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1csc(-c2ccccn2)n1 519416249 MMZJCYMRTLJVEW-OAHLLOKOSA-N 440.619 5.329 30 20 IKED O=C(Nc1cc(F)ccc1F)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 520436330 LPKHLFWCWKHMHT-UHFFFAOYSA-N 429.263 5.099 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc2sc(N(C)C)nc2s1 524249821 HEPBBUVOKQGMHM-UHFFFAOYSA-N 448.573 5.435 30 20 IKED COc1ccccc1[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccccn1 534842306 WJVSAVAIMHSQNV-SANMLTNESA-N 435.483 5.274 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2Cn2cnc3ccccc32)cc1 535967230 MKVWPMZTUYOLNW-NRFANRHFSA-N 437.503 5.397 30 20 IKED Cc1nnc(SCc2c(C(=O)N[C@]3(C#N)CCC[C@H](C)C3)oc3ccccc23)s1 536076230 SQJRIJSSQZKWNF-YEJXKQKISA-N 426.567 5.087 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)CCc2ncc(-c3ccccc3F)o2)cc1 540202227 ZWGMNOJPCDGAHA-UHFFFAOYSA-N 425.463 5.268 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)[C@@H](Sc2ccc(F)cc2F)c2ccccc2)CC1 548835267 LNSJVSREJGJYOJ-QHCPKHFHSA-N 449.526 5.277 30 20 IKED C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 549280184 OAWDQTKMEPAMKP-LJQANCHMSA-N 448.514 5.103 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C)(c2nc(C)no2)CC1 549293203 HDYXTWUQDNXQQJ-UHFFFAOYSA-N 447.370 5.078 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@H](c4cccc(F)c4)C3)c2)cc1 552625823 CEWJXNAXJDDFIU-QFIPXVFZSA-N 429.495 5.492 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 562001967 YULWBBYJMMNHIA-LKUPVBHCSA-N 427.545 5.604 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC(c4c(F)cccc4F)CC3)cc2)ccn1 571249703 OGHOYSQMDRMBCS-UHFFFAOYSA-N 434.446 5.435 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(-n4ccc(C(F)(F)F)n4)cc3)CC2)cc1 572566829 BMIZXTQHHBNCLI-UHFFFAOYSA-N 437.425 5.084 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 576725693 ITWCQESASXJQHR-UHFFFAOYSA-N 430.464 5.274 30 20 IKED CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 577996198 KISNOFLFQXFOCO-QFIPXVFZSA-N 448.910 5.610 30 20 IKED N#CCCCOc1cccc(CN[C@H]2CCCc3c2[nH]c2ccc(Br)cc32)c1 578169101 OBICERRBJNPFAU-QFIPXVFZSA-N 438.369 5.780 30 20 IKED N#Cc1ccccc1OCc1nc(-c2ccc(-c3csc(-c4ccncc4)n3)cc2)no1 584543431 KDHXSRXYHWIUBI-UHFFFAOYSA-N 437.484 5.373 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1C 592974229 QBRXOSXSQGRURZ-GOSISDBHSA-N 443.507 5.320 30 20 IKED Cc1nc(C(=O)N2C[C@H](c3ccccc3Cl)c3c([nH]c4ccccc34)[C@H]2C)ccc1C#N 603568376 LEHVKIUTWOACBI-OXQOHEQNSA-N 440.934 5.745 30 20 IKED CCOc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc(OCC)c1OCC 603764150 FQDRBCCWDGNGAA-UHFFFAOYSA-N 447.491 5.194 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1OC 603831118 MXXQNUPBFHECOW-UHFFFAOYSA-N 445.519 5.013 30 20 IKED N#Cc1c(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)sc2c1CCCCCC2 603996057 FAZSYTIZXCKEAA-UHFFFAOYSA-N 427.957 5.311 30 20 IKED COc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)ccc1OCC(C)C 604181684 FJRYEBMBRRWLHC-UHFFFAOYSA-N 443.503 5.106 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(-n3ccnc3)c(F)c2)cc1 604186841 PFBJBUULEWCCNN-UHFFFAOYSA-N 428.492 5.428 30 20 IKED C[C@H](Nc1ccc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1[N+](=O)[O-])c1ccccn1 604417402 RDOOOPNVLVVUJL-QFBILLFUSA-N 437.459 5.201 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@@H](C(=O)c4ccc(F)cc4)C3)c2)cc1 606416090 KYKUOVAMKXMVLB-HSZRJFAPSA-N 442.490 5.011 30 20 IKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 609497592 MFXOXARQRAKSTD-QGZVFWFLSA-N 427.529 5.988 30 20 IKED N#C[C@@H](NC(=O)c1csc(-c2ccccc2Cl)n1)c1ccccc1Br 609593791 IGOBOPNZUWXBFH-OAHLLOKOSA-N 432.730 5.221 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 609970835 LXCRMIAGZOBGIR-CQSZACIVSA-N 430.455 5.538 30 20 IKED C[C@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1nc(-c2ccncc2)cs1 609989492 GGTMUYAZLIXTSQ-INIZCTEOSA-N 425.517 5.311 30 20 IKED N#C[C@@H](C(=O)c1ccc(NC(N)=O)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346107 CZCKBRGYHXIYGV-AWEZNQCLSA-N 431.304 5.098 30 20 IKED CC(=O)Nc1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cs1 642281829 SIKMUZHSODNWFR-NSHDSACASA-N 437.333 5.022 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)c(F)c1 682192854 OSVMHNNTUFFBMC-IUCAKERBSA-N 425.266 5.484 30 20 IKED COC(C)(C)c1nc(C)c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1 685783914 JKVHCPVVAIFKBM-LLVKDONJSA-N 439.484 5.452 30 20 IKED C#CC[C@@H](OC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1)c1ccccn1 727775578 JWLIZSZTGUSGLF-OAQYLSRUSA-N 449.304 5.018 30 20 IKED CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 728466639 YVJLVQSITLWBLX-AREMUKBSSA-N 439.559 5.857 30 20 IKED Cc1cc2nc(-c3ccccc3)cc(C(=O)OCC(=O)Nc3sccc3C#N)c2cc1C 728652253 FYCYLKHTBANMFH-UHFFFAOYSA-N 441.512 5.247 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](CN3CCCCCC3)C2)cc1 728687845 OTRWTLJTELGYDR-NVQXNPDNSA-N 430.596 5.462 30 20 IKED Cc1ccc(-c2ccc(CN(C(=O)NCc3ccc(OCC#N)cc3)C(C)C)s2)cc1 729052133 FFRUTKMDQRHEIA-UHFFFAOYSA-N 433.577 5.746 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)c2)cc1 729571578 ZUNHEYGVVVIRMM-XMMPIXPASA-N 443.503 5.269 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c23)CC1 730109706 VNAGOWIZVBOXPR-ZDUSSCGKSA-N 432.927 5.029 30 20 IKED N#C[C@H](C(=O)CSCc1ccc(Cl)cc1Cl)c1nc2cc(F)ccc2s1 730421935 RNFAPYZJNNYLAC-CYBMUJFWSA-N 425.337 5.852 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)cc1 730664505 LKNTURBOCKWASB-XMMPIXPASA-N 429.495 5.309 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2cc(Cl)ccc2o1 731064020 SEVNBRVVGXRUEL-CYBMUJFWSA-N 428.897 5.276 30 20 IKED C=CCn1c(S)nnc1-c1sc(NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)nc1C 731225014 MOEXQNYNCRHXFI-MSOLQXFVSA-N 447.589 5.080 30 20 IKED COCCN(CCOc1ccc(F)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 731280811 XBODXBRSBFVLIH-RUZDIDTESA-N 447.510 5.040 30 20 IKED Cc1cccc2c(O)nc(/C(Cl)=C\c3cccc(OCc4ccccc4C#N)c3)nc12 731318470 ITLSNQQMOQNIAW-LPYMAVHISA-N 427.891 5.831 30 20 IKED CN(C)CCOc1ccc(N(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 732134699 FTDIMSMJGPZJER-UHFFFAOYSA-N 445.588 5.068 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)O[C@H](C(=O)Nc3ccccc3)c3ccccc3)cc2)nc1 732401011 BZRDUXCEDKQSEC-VWLOTQADSA-N 449.466 5.282 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)ccc1OC 733277683 NMDNRPSHXQLCLE-CVDCTZTESA-N 445.563 5.334 30 20 IKED N#CCOc1ccc(COC(=O)[C@H](Sc2ccc(F)cc2F)c2ccccc2)cc1 733490811 XNVJVVDHIDAGKB-JOCHJYFZSA-N 425.456 5.444 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)NCC2CCC(c3ccccc3)CC2)ccc1OC 733646216 FCPPIWCPFBJGDL-ZUEZHPSSSA-N 435.568 5.149 30 20 IKED CN(C)C(=O)Sc1cccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1 734102246 SNGODWCVYJQZAG-UHFFFAOYSA-N 431.517 5.163 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCc2cccnc2N2CCCCC2)c1 735039300 NDKYONNZRJHGBG-UHFFFAOYSA-N 446.938 5.319 30 20 IKED Cn1cc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c(-c2ccccc2Cl)n1 739594175 FBXMNKDCKKTACL-UHFFFAOYSA-N 432.936 5.271 30 20 IKED C#CCOc1ccc(F)cc1NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 741643047 KRGLZEIWLSWYBS-UHFFFAOYSA-N 434.414 5.161 30 20 IKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NNc1oc(C(C)C)nc1C#N 745624290 HZZIRBXWKXIILB-UHFFFAOYSA-N 436.825 5.282 30 20 IKED CCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H]1CCN(c2ccccc2)C1=O 749225926 QCSAYAVIZGJUIR-DQEYMECFSA-N 438.531 5.001 30 20 IKED N#CCOc1ccccc1C(=O)Nc1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1 749445148 CNIIQRQFBHLQEO-UHFFFAOYSA-N 447.292 5.147 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccn(Cc2ccccn2)n1)c1ccc(C(F)(F)F)cc1 750314197 JNKNLQGNVFMYSK-LJQANCHMSA-N 429.446 5.174 30 20 IKED CCOC(=O)Nc1ccc(N[C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1C#N 752798821 ISISYWPDAPCPAH-LBPRGKRZSA-N 445.401 5.369 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N1CCC(c2ccc(F)cc2)CC1 752853724 CTYBUDOAKVEXGK-GJZGRUSLSA-N 440.403 5.624 30 20 IKED CC(C)(C)O[C@@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1 754533558 SHXWWXOHAJNNOK-YCRPNKLZSA-N 426.488 5.821 30 20 IKED CCOc1cc(/C=C/C(=O)c2cc3c(s2)SCC(=O)N3)ccc1OCC(F)(F)F 758063581 YAWGCKDKXMPCSL-HWKANZROSA-N 443.468 5.028 30 20 IKED Cc1nc([C@@H](C)ON=Cc2ccc(N3CCOCC3)cc2)oc1-c1ccc(Cl)cc1 763172239 IHUZBCJYOQDHHW-QGZVFWFLSA-N 425.916 5.252 30 20 IKED COc1cc(/C=C2/CCc3cc(SC(F)F)ccc3C2=O)ccc1OCCC(=O)O 763372902 GNOBKOMDIIRYBZ-GDNBJRDFSA-N 434.460 5.076 30 20 IKED C#CCCN(CC(F)(F)F)C(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C 767201455 ATGHQEXNLXERMY-UHFFFAOYSA-N 434.487 5.077 30 20 IKED Cc1ccc([C@H](N[C@H](C)c2ccc(OCC#N)cc2)c2cccc(S(C)(=O)=O)c2)c(C)c1 776164501 IVPUOHUZFDOGFF-FQRUVTKNSA-N 448.588 5.050 30 20 IKED Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 778288993 LWTXKDWUOJRPEV-OAHLLOKOSA-N 435.455 5.392 30 20 IKED CC(=O)N1CCC(=NNc2ccc(Br)cc2C(F)(F)F)c2ccccc2C1 778541670 KBUOXIOZPNRNGS-UHFFFAOYSA-N 440.263 5.036 30 20 IKED CC1(C#N)CCN(Cn2nc(-c3ccccc3Cl)n(-c3ccccc3F)c2=S)CC1 779880315 ZRVGQGXCTOQNKG-UHFFFAOYSA-N 441.963 5.446 30 20 IKED COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2O[C@H](C)C#N)c1 780160542 RUFSXOFRZCGPRF-GOSISDBHSA-N 438.487 5.091 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCCc2cn(C(C)C)nc21 780416317 VOUYWMQBKAUCED-HSZRJFAPSA-N 429.524 5.636 30 20 IKED C[C@@H](NC(=O)[C@H](C#N)C(=O)CCc1cncc2ccccc12)c1ccc(Cl)cc1Cl 787052460 ZAOPSPABXYWPTG-JLTOFOAXSA-N 440.330 5.060 30 20 IKED C#CCn1ccc(CN(CC)C(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)n1 788824580 PSPOUXHMZHFNEA-UHFFFAOYSA-N 447.535 5.356 30 20 IKED CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1O[C@@H](C)C#N 797478290 IUCXJYJDGATVRM-ZDUSSCGKSA-N 444.318 6.315 30 20 IKED N#C[C@@H](C(=O)NCc1cccc(Cl)c1)C(=O)c1ccc(-c2cccc3cccnc23)cc1 802797108 OVBHYORLTUMPIX-HSZRJFAPSA-N 439.902 5.194 30 20 IKED CCCCNC(=O)OC[C@H]1CCCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 806200971 QMAXCTRAMJQFRP-DNQXCXABSA-N 448.567 5.255 30 20 IKED COc1ccc(CNC(=O)C(C)(C)c2csc(-c3c(F)cccc3Cl)n2)cc1C#N 810669754 LQLMLDVRNADYJL-UHFFFAOYSA-N 443.931 5.077 30 20 IKED O=C(CCc1ncc(-c2ccccc2Cl)o1)N(O)Cc1cc(Cl)cc(Cl)c1 901379705 CNYKKDZDJLBUCB-UHFFFAOYSA-N 425.699 5.652 30 20 IKED COc1ccc(C=NN=C(C(=O)c2ccccc2)c2ccccc2)cc1OCc1cccnc1 915049362 RSIFGQJLNTXHSB-UHFFFAOYSA-N 449.510 5.375 30 20 IKED CCc1ccc([C@@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C(C)C)cc1 915734141 GQXNAPWKARKUDA-UIOOFZCWSA-N 439.559 5.356 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCC(=O)c1ccc2c(c1)CCCC2 916902901 IRJCOQYFWUGGIE-HSZRJFAPSA-N 430.548 5.001 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4cccc(F)c4)n3)n2)cc1 916972286 MOGPSPKZZHANMV-IBGZPJMESA-N 433.533 5.800 30 20 IKED N#C[C@@H](C(=O)CCc1ccccc1Br)c1nc(-c2ccc(Cl)cc2)cs1 916976443 OJJOMKFIYXBVGG-INIZCTEOSA-N 445.769 6.035 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3NC(=O)c3ccsc3)cn2)cc1 918586958 UKQPUHPMHURMRA-UHFFFAOYSA-N 440.484 5.312 30 20 IKED Cc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C)n1Cc1ccccc1 918658841 KGEXBAVCZOXQRM-UHFFFAOYSA-N 449.554 6.051 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)cc3F)cc2)CCC1 1785943478 WRBMNPDCYWNGJW-OAHLLOKOSA-N 445.922 5.028 30 20 IKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)C3=C(C)OCC3)cc2)CCC1)c1ccccc1 1788327039 OYGFMBCWAMVDOR-RUZDIDTESA-N 442.559 5.012 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3csc4c3CCCO4)cc2)CCC1 1788396784 POKKPICZJQIQKO-UHFFFAOYSA-N 446.519 5.032 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4cc(Cl)ccc34)cc2)CCC1 1789350905 NWZJWVCQBJZBOZ-HNNXBMFYSA-N 436.943 5.176 30 20 IKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)S)CCC3)cc2)cc1Cl 1790611089 BPTDSDXDJQYWNI-OAHLLOKOSA-N 447.000 5.193 30 20 IKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)cc(F)c4)CCC3)cc2)c1 1790765160 UKSAGBCUQVPPAR-UHFFFAOYSA-N 449.432 5.037 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@H]4C4CC4)CCC3)cc2)c(Cl)c1 1790765818 GGCPXSUBGCYNAN-LEWJYISDSA-N 433.939 5.005 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc4ncccc4c3)CCC2)cc1 1791299077 PDTAKCPVPPPLRP-UHFFFAOYSA-N 449.501 5.123 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)c(F)c1 1800404114 IBQLMFVIPRIJGF-BJWYYQGGSA-N 440.481 5.089 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)CCCCC)[C@@H]1c1cccnc1 1812696339 RCRBONYSTDIJIU-MZYLBHOOSA-N 427.633 5.296 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3cccc(Cl)c23)n[nH]1 1819224574 CMAIINSLZQZENI-AUUYWEPGSA-N 439.947 5.063 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C)c(OC)c2)n[nH]1 1820602176 WJNDOWWIEWDQAJ-FQEVSTJZSA-N 438.572 5.025 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cnc2Cl)CC1 1824140782 KCFLOZMPBUXAMF-JOCHJYFZSA-N 444.019 5.045 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3ccoc3c2)CC1 1827495586 IGFAMBDOCQHAFW-QFIPXVFZSA-N 437.584 5.054 30 20 IKED CC(C)c1nnc(SCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)n1Cc1ccco1 10201081 BIZJVOSYFAQPLK-FYJGNVAPSA-N 436.581 5.016 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2OCC)c2ccccc2)nnc1C1CC1 15278141 GOVYVFGSRNJSNJ-NRFANRHFSA-N 434.565 5.212 30 20 IKED Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)Nc4ccc(CC#N)cc4)cc3)sc2c1 15499272 OVOIBEUSMIVVLJ-QGZVFWFLSA-N 426.545 5.777 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2C)nc2cc(Cl)ccc2c1=O 16827298 UZWNXOSRSHWVBA-CYBMUJFWSA-N 448.375 5.317 30 20 IKED CCn1c(SCC(=O)c2ccc(C#N)cc2)nc2scc(-c3cccs3)c2c1=O 19017802 GRQRDHCSMJRITM-UHFFFAOYSA-N 437.571 5.053 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c(C)cc(C)cc1Cl 32788882 XSPAYVUDOYYLAN-UHFFFAOYSA-N 426.973 5.056 30 20 IKED Cc1ccc(C[C@@H](C#N)Sc2nnc(S[C@H](C#N)Cc3ccc(C)cc3)s2)cc1 71798078 ACPZJGGMTCFIDQ-PMACEKPBSA-N 436.631 5.609 30 20 IKED CC1CCN(c2ccc(CNCc3cccc(OCc4ccccc4C#N)c3)cn2)CC1 236737169 YRXKRWNCXCZFBT-UHFFFAOYSA-N 426.564 5.058 30 20 IKED C=CCc1cc(CN[C@@H](c2cccc(OC)c2)c2cc(F)ccc2OC)cc(OC)c1O 237321182 BVODBNZXGWCTDL-VWLOTQADSA-N 437.511 5.165 30 20 IKED C=CCn1c(SCC(=O)N(CC(F)F)C(C)C)nnc1-c1ccc(Cl)cc1Cl 427230667 QVJVFSSMVBQJPD-UHFFFAOYSA-N 449.354 5.032 30 20 IKED Cc1csc(C2(NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CCC2)n1 435111563 QDJHBUHITZPWOD-LJQANCHMSA-N 436.968 5.961 30 20 IKED C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 437886202 CFJAFUZXKIPBKB-NIYFSFCBSA-N 443.522 6.086 30 20 IKED C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 438068486 CTLCNRKBDWIZDS-MSOLQXFVSA-N 443.016 5.502 30 20 IKED C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc(Cc2ccc(Cl)cc2)no1 439579090 YRJPIYZHBKAUQH-INIZCTEOSA-N 430.895 6.151 30 20 IKED Cc1cc([C@@H](C#N)C(=O)c2cccc(CSc3cc(Cl)cc(Cl)c3)c2)nc(C)n1 442640553 BAIIPBFTMLASAB-HXUWFJFHSA-N 442.371 6.183 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)c1noc(-c2ccccc2)n1 446067499 CHDMWKJPZTXZNL-KRWDZBQOSA-N 433.537 5.255 30 20 IKED COc1cnccc1[C@H](C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 446158989 VALSQYIOHXDCNZ-HNNXBMFYSA-N 436.899 5.077 30 20 IKED Cc1nc(-c2ncccn2)sc1C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N 460152574 UIJBZRJCQOUTSM-UHFFFAOYSA-N 445.935 5.281 30 20 IKED COCCN(C(=O)Cc1cccc(OCc2cccc(Cl)c2)c1)c1ccc(C#N)cc1 460351321 AMEZWDCSHSKFIV-UHFFFAOYSA-N 434.923 5.013 30 20 IKED Cc1ccnc(Oc2cc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)ccc2C)c1 460489114 KMPIZDCUGOXTGP-UHFFFAOYSA-N 439.471 5.787 30 20 IKED C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CCC[C@H]1c1cccc(OC)c1 460556073 GFVVPGRSEAYORI-CCDWMCETSA-N 444.579 5.450 30 20 IKED C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 462638938 LHCJUBHGCQQTPH-OAQYLSRUSA-N 446.572 5.168 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 464411295 ZCAXHYHYDWQROQ-CQSZACIVSA-N 439.315 5.573 30 20 IKED CC(C)CCOc1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 465345869 VRSLLNSUWZQOOM-UHFFFAOYSA-N 448.523 5.086 30 20 IKED C[C@@](C#N)(CCc1ccccc1)NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 467538888 ZBFQXWDLNLLHHM-QFIPXVFZSA-N 444.318 5.205 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)S(=O)(=O)c1ccc(Cl)c(C#N)c1 468806587 DEFBJLXNNHENBJ-AWEZNQCLSA-N 431.970 5.025 30 20 IKED CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 470623959 WNFYAGLQJUTNOS-CYBMUJFWSA-N 430.364 5.298 30 20 IKED C=CCCCCNC(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 471680865 WMTAFAWTFQTYFH-OAHLLOKOSA-N 427.595 5.158 30 20 IKED O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N[C@H](c1cccc(Cl)c1)c1ccccn1 472630252 NPQCTAHPPHFHHR-OAQYLSRUSA-N 443.856 5.194 30 20 IKED COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)C[C@H](CC#N)c1ccccc1)CC2 474430052 XVICPGITCYSGKR-RBISFHTESA-N 440.543 5.265 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 474493379 IJXJZMLMMYVFML-OAQYLSRUSA-N 433.487 5.245 30 20 IKED CCCN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@@H](c1cccnc1)c1ccc(F)cc1F 475762935 OMZHGTVAYUDWKZ-IBVKSMDESA-N 433.502 5.775 30 20 IKED CN(Cc1ccco1)C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482336898 UDLIJXHJQYYCSO-CYBMUJFWSA-N 448.285 5.762 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)N1CCC(C(F)F)CC1 483188166 AKFLZEFRBNKWMR-UHFFFAOYSA-N 436.368 5.869 30 20 IKED C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)Nc2ccccc2SC[C@H](C)C#N)C1 483342255 PCQJXMIJCCSAJX-YRNRMSPPSA-N 447.526 6.572 30 20 IKED Cc1c([C@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C(C)C)oc2ccccc12 483828801 IZKYPACWUDFGGH-XMMPIXPASA-N 432.568 5.083 30 20 IKED CCC(C)(C)N(CCC#N)C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 484473106 LUJNMZCHQQHOMY-NRFANRHFSA-N 425.960 5.132 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCC(=O)c2ccc(F)cc2F)cc1 488021205 AUQDALLTHYPATA-UHFFFAOYSA-N 436.433 5.167 30 20 IKED C[C@H](NC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1nc(C(F)(F)F)cs1 488663692 RCLQYLBKAQFUBT-KGFZYKRKSA-N 433.324 5.104 30 20 IKED O=[S@@](Cc1coc(-c2ccc(F)c(F)c2)n1)Cc1cc(F)c(C(F)(F)F)cc1F 488742789 ULGFXMXQWKWQEC-GDLZYMKVSA-N 437.336 5.366 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3nc4cc(C(F)(F)F)ccc4o3)o2)cc1 489794047 DWSCBLREKBXSRN-UHFFFAOYSA-N 433.411 5.754 30 20 IKED Cc1noc(C2CC2)c1NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 496318777 BXGJZODHTWSKSL-UHFFFAOYSA-N 447.442 5.442 30 20 IKED COc1cccc(CNC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c1OC1CCCC1 501023621 UBELUPGHOSTVMP-UHFFFAOYSA-N 435.568 5.256 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)CCCc3nc4ccccc4s3)c2)cc1 501465285 DUMUMNHVHILVSK-UHFFFAOYSA-N 441.556 5.903 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC(n3cc(Cl)cn3)CC2)c1 503175372 MVMOHVIVSAIETC-UHFFFAOYSA-N 441.318 5.331 30 20 IKED Cc1nc(NC(=O)COc2ccc(-c3ccccc3)cc2Cl)sc1SCC#N 504784934 GDGKPRIIPWUXAV-UHFFFAOYSA-N 429.954 5.405 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 506242134 ZOESAQCALQSEPT-QFIPXVFZSA-N 442.588 5.828 30 20 IKED Cc1cc(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)nc(-c2ccc(Cl)cc2)n1 507541676 FDSXECRBHOAMFE-UHFFFAOYSA-N 442.910 5.032 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc(-c3ccc(F)cc3)nc2C)cc1 508148984 PKOKGMNTWWQNCA-UHFFFAOYSA-N 435.524 5.324 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2Cl)C(C)C)nc2sccc2c1=O 510308671 QTUJWIVFHOYEQD-MRXNPFEDSA-N 433.986 5.053 30 20 IKED COc1ccc([C@@H](C)N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 511482722 KODFBRAQVGHONW-QGZVFWFLSA-N 428.492 5.044 30 20 IKED Cc1nc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)sc1SCC#N 514578379 YFEJTEJWNXHKKG-UHFFFAOYSA-N 431.546 5.172 30 20 IKED CCOC(=O)c1ccc(C#N)c(S[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)n1 514968612 OXPHYIJJRYOVTB-MRXNPFEDSA-N 447.516 5.042 30 20 IKED C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H]1c1nc2ccccc2s1 515095837 UHWHLQQLCLYPEA-NRFANRHFSA-N 440.576 5.418 30 20 IKED CC(=O)N[C@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1cccs1 515709136 OBDPLIFBYALJAD-LJQANCHMSA-N 439.924 5.271 30 20 IKED C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 516790338 NISBOECVUAPCKU-UHFFFAOYSA-N 443.020 5.146 30 20 IKED N#Cc1ccccc1COc1cccc(CNCc2cccc(OCC(F)(F)F)c2)c1 517536448 KLNVQROPKYDAJL-UHFFFAOYSA-N 426.438 5.368 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(-c2ccccn2)c1C(C)C 517793047 FBGQOTYWDIOBFI-UHFFFAOYSA-N 437.503 5.615 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)Cn3c(C(F)(F)F)nc4ccccc43)c2)cc1 519124766 WINOHUJGGPUSNI-UHFFFAOYSA-N 436.393 5.358 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)CC2)cc1 520332022 URTBUFLUMIBGRH-UHFFFAOYSA-N 438.527 5.589 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(CN2C[C@H](C)C[C@@H](C)C2)cc1 520478740 QGRDTZUGTHEPAQ-FGZHOGPDSA-N 432.612 5.156 30 20 IKED CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 522273281 OTYXJSNBJAZKQU-UHFFFAOYSA-N 429.495 5.362 30 20 IKED O=C(CCc1ccc(OC(F)(F)F)cc1)Nc1ccc(OC(F)F)cc1OC(F)F 524294963 IQJIHCAMEYMSBU-UHFFFAOYSA-N 441.299 5.359 30 20 IKED CC1(C)CC(=O)c2sc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)nc2C1 524524531 DOQMUNNCDXLIGW-UHFFFAOYSA-N 431.517 5.001 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl 525061577 KEPHPHFOQKYWPY-AWEZNQCLSA-N 444.988 5.907 30 20 IKED COCCOc1cc(C)ccc1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1 531033496 AWRWHHGOMAJIJU-UHFFFAOYSA-N 446.572 5.114 30 20 IKED Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)n1 532223742 KYRVHLUOKWVWRZ-RUZDIDTESA-N 426.520 5.518 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 536817827 SGNOEYAQSMXMSK-GHTZIAJQSA-N 439.437 5.088 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cnc(Oc3ccccc3)cn2)cc1 536940713 AVNQLSGPVDDZGB-UHFFFAOYSA-N 438.462 5.122 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1 536970936 LOSZAKQQEAMLAR-UHFFFAOYSA-N 440.478 5.061 30 20 IKED Cc1ccc(-n2c(SCCCC3(C#N)CCOCC3)nnc2-c2ccccc2)cc1C 537467332 LWEIIPIVRAHYFH-UHFFFAOYSA-N 432.593 5.744 30 20 IKED CN(C(=O)c1ccc(C(F)(F)F)nc1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 541250742 BNIUAUNJNVPWLF-ZDUSSCGKSA-N 430.270 5.495 30 20 IKED CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 541639522 USBDZDOOKDYWQP-RCZVLFRGSA-N 430.479 5.482 30 20 IKED N#CCCCOc1cccc(NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1 547532830 PSDVGNTVCACTTJ-KRWDZBQOSA-N 445.363 5.813 30 20 IKED C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1CCC(F)(c2ccccc2)CC1 549696801 JLVFVENSBLNRPG-UHFFFAOYSA-N 436.531 5.004 30 20 IKED CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@H](c1ccc(Cl)cc1)c1cccnc1 550646501 FASIFTWTJWUXOE-LJQANCHMSA-N 444.844 5.272 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3cncc(-c4ccc(Cl)cc4)c3)CC2)c(F)c1 552344442 FKCZTLCHZALYNW-UHFFFAOYSA-N 435.886 5.096 30 20 IKED N#CCCn1cc(CNc2ccc(Oc3ccc(Cl)cc3)cc2)c(-c2ccncc2)n1 554982196 OCIULMXSJZORLS-UHFFFAOYSA-N 429.911 5.917 30 20 IKED COc1cccc(OC(F)(F)F)c1CNC(=O)Nc1ccccc1SC[C@@H](C)C#N 558338541 FNIIOFUDLXHMMS-ZDUSSCGKSA-N 439.459 5.167 30 20 IKED Cc1ccccc1COc1ccccc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 560657454 SSGSYWZXVIBVMR-UHFFFAOYSA-N 426.516 5.129 30 20 IKED C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 562019599 LSKWZFJHCSXCST-IBGZPJMESA-N 429.490 5.095 30 20 IKED C[C@H](CCOCc1ccccc1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 565735924 DMLOUKXLIGLGEZ-HXUWFJFHSA-N 430.573 5.576 30 20 IKED N#CCc1ccccc1NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 569032718 NIGSUBXAORTHPT-UHFFFAOYSA-N 446.513 5.674 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc2c(c1)nc(C)n2Cc1ccsc1 569466061 YCPJXILCAYYQFF-UHFFFAOYSA-N 447.608 5.450 30 20 IKED CCO[C@H](c1noc([C@@H](C)Oc2ccccc2C#N)n1)c1ccc(F)cc1C(F)(F)F 570200501 HFCPKMCRIVBCTH-XIKOKIGWSA-N 435.377 5.365 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)o2)cc1 576870529 YHUUBNRWGXOQSZ-UHFFFAOYSA-N 436.427 5.042 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)CC1 577889369 CLZGHBUFIGPRSA-UHFFFAOYSA-N 435.886 5.364 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 603527589 SWMQPPCZRGRFIH-UHFFFAOYSA-N 439.437 5.815 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 604358306 UPDAYASJVXZODD-UHFFFAOYSA-N 445.906 5.692 30 20 IKED COc1ccc(CN[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1OCCCC#N 604512457 UWSILNRMEGAMME-ZSHCYNCHSA-N 438.412 5.377 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2c(C)n(C3CCCC3)c3ccc(OC)cc23)cc1 607623452 XHFMJFRBJKUEPJ-UHFFFAOYSA-N 446.551 5.633 30 20 IKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)Nc3cc(C#N)ccc3OC(F)F)c12 609066829 KBQYZXUTPLURJS-UHFFFAOYSA-N 438.390 5.332 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H]3c3nc4ccccc4s3)c2)cc1 609208986 MTSGIGNHXXAMEG-QFIPXVFZSA-N 440.528 6.329 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC[C@@H](c3ccco3)N3CCCCC3)cc2)cc1 609496873 MYBLLELRSCBNCV-DEOSSOPVSA-N 429.520 5.095 30 20 IKED Cc1ccccc1CN(Cc1cccnc1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 609501929 JPJRJSHGVPVZMO-UHFFFAOYSA-N 434.499 5.292 30 20 IKED C[C@@H](c1ccccc1)N1CCC(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 609696094 DTTCOLZNHWSFHL-NRFANRHFSA-N 439.559 5.093 30 20 IKED CC[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cc(F)ccc1F 610141199 JBEWKYOACJMTPU-HSZRJFAPSA-N 435.474 5.883 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC(OCC4CCCCC4)CC3)cc2)cc1 610237033 RBWBSZGJJXFNDG-UHFFFAOYSA-N 432.564 5.746 30 20 IKED Cc1ccc(Oc2ccc(N[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)cc2)nn1 610342200 MPHBRMSIKUDBSE-INIZCTEOSA-N 447.564 5.219 30 20 IKED N#Cc1cc(NC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)ccc1F 610425889 CRPAXKZLCAPSTC-UHFFFAOYSA-N 442.294 5.173 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)c(Cl)c1 611094772 YGYFBCRNCIPJAT-UHFFFAOYSA-N 436.726 5.397 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1nc(-c2ccccc2)cs1 613392596 VIRRZFLKUAHYMN-QGZVFWFLSA-N 444.537 5.800 30 20 IKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc(C3CC3)nc21 613403208 MXRRADXSDDGRGT-HNNXBMFYSA-N 435.940 5.643 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)N[C@H]1CCc2cc(C#N)ccc21 618765516 DXDVGSQARRTQNN-QHCPKHFHSA-N 444.922 5.581 30 20 IKED Cn1cc(CNC(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)c(C(F)(F)F)n1 622456970 IQLBCQMMXLNGJS-UHFFFAOYSA-N 445.338 5.194 30 20 IKED COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1NC(C)=O 726428075 DUONBIDMWKGMDU-IZZDOVSWSA-N 449.478 5.276 30 20 IKED CC(C)(C)OC(=O)NCc1cccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1 727867909 PFEXIZAMYUQTHP-UHFFFAOYSA-N 447.491 5.007 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)C2CCC(NC(=O)C3CCCC3)CC2)c1 728181783 BXRZKEHMNMXZAY-UHFFFAOYSA-N 434.605 5.128 30 20 IKED C#Cc1cccc(N(Cc2ccccc2)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 728248192 HFIOKEUFWQGGSJ-UHFFFAOYSA-N 439.515 5.026 30 20 IKED Cc1cc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)c(C)n1-c1ccc(C#N)cc1 728269530 PKFAZESWQKQFJX-OAQYLSRUSA-N 449.938 5.429 30 20 IKED Cc1cc(Sc2ncccn2)ccc1NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 728274177 PHIXGQVCHGWMKY-UHFFFAOYSA-N 439.544 5.468 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3cc(-c4cccs4)nc4ccccc34)CC2)cc1 728831144 RIQLVFKBDLEMRS-UHFFFAOYSA-N 439.540 5.519 30 20 IKED N#C[C@@H](C(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1nc2cc(F)ccc2s1 730695351 HSWFJCBCAPUQTR-KSFYIVLOSA-N 438.430 5.710 30 20 IKED C=CCN1C(=O)N[C@@H](c2csc(-c3ccccc3)n2)C(C(=O)Nc2ccc(F)cc2)=C1C 731423168 QGGXBFBLZZVSGJ-NRFANRHFSA-N 448.523 5.114 30 20 IKED C=CCn1c(-c2ccccc2F)nn(CN(C)Cc2nc3ccccc3s2)c1=S 732475982 SZLBQHIOUKUAEI-UHFFFAOYSA-N 425.558 5.105 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccc(SC(C)C)cc1 733080389 MARIFWMWVZTJQW-UHFFFAOYSA-N 431.487 5.894 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)ccc1F 733258416 AUOZLJOIMAUEHE-INIZCTEOSA-N 438.286 5.474 30 20 IKED C#CCN(C(=O)Nc1cc(Cl)ccc1F)[C@H]1CCOc2ccc(Br)cc21 733616538 NWLAHSZFPUWASB-KRWDZBQOSA-N 437.696 5.233 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(C)Cc2ccccc2-c2ccccc2)ccc1OC 733657935 ZTUFPUJBXLZPHK-HSZRJFAPSA-N 443.547 5.385 30 20 IKED C[C@H](OC(=O)Cc1ccc(OCC#N)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 733710351 SCKYCYUZRDYKEP-LBPRGKRZSA-N 431.332 5.473 30 20 IKED Cc1ccc(-c2ncc(C=Nn3c(S)nnc3Cc3cccc4ccccc34)s2)cc1 734295011 NYZZWPVQHZIXEZ-UHFFFAOYSA-N 441.585 5.625 30 20 IKED Cc1nc(-c2ccccc2F)sc1[C@H](C)OC(=O)CCc1c(C)nc(O)c(C#N)c1C 734736907 ZNOIIIXVGWHACE-HNNXBMFYSA-N 439.512 5.084 30 20 IKED COc1ccc(-c2cnc(CCC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)o2)cc1 739595621 LCCILCFIZMRYGC-UHFFFAOYSA-N 443.528 5.199 30 20 IKED CC(C)N1C/C(=C\c2cnc(-c3ccccc3)[nH]2)C(=O)/C(=C/c2cnc(-c3ccccc3)[nH]2)C1 742429415 QFTDOZHSESBPSI-MSKUYSOUSA-N 449.558 5.227 30 20 IKED O=C1/C(=C\c2ccc(Oc3cnccn3)cc2)CC/C1=C/c1ccc(Oc2cnccn2)cc1 743059472 YLSRZUOLYROYNH-BMJUYKDLSA-N 448.482 5.681 30 20 IKED CC(=NNc1nc2cc(C(F)(F)F)ccc2s1)c1nc2ccccc2n1C(F)F 743445028 AHLURIGJGOFNMA-UHFFFAOYSA-N 425.386 5.896 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C(\C)c2ccccc2C(F)(F)F)cc1Cl 744033945 ZCTJAKZHMYUCHX-SAAWKEMMSA-N 436.817 5.118 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3ccccc3SCc3cccs3)o2)cc1 744512741 JUDKHHPAXOMBIU-UHFFFAOYSA-N 433.514 5.319 30 20 IKED CCOc1c(Br)cc(/C=C/C(=O)c2ccc(-c3ccncc3)cc2)cc1OC 745990278 PYFQNENTZZFFQW-RUDMXATFSA-N 438.321 5.815 30 20 IKED CC(=O)N(c1nc(/C=C2/C(=O)c3c(O)ccc(F)c3[C@H]2C)cs1)c1ccc(F)cc1F 746015023 KQPFOCPUBUIPQY-CEITULEQSA-N 444.434 5.334 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)Cc2csc(-c3cccc(Br)c3)n2)n1 747193633 LDUWLDIYGOVSQN-HNNXBMFYSA-N 446.395 5.571 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccc(F)cc1OC(F)F 748074850 BIQVLDRHPZBOIK-UHFFFAOYSA-N 441.335 5.134 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2nc(C)n(-c3ccccc3C(C)C)n2)cc1 750394337 FPVMMPUSMRYIPP-JTSKRJEESA-N 443.551 5.174 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(OC)cc3)cc2F)cc1C#N 752194586 REPCXGLSLRWLKW-UHFFFAOYSA-N 433.439 5.194 30 20 IKED O=C(Nc1cccc(C=Nn2cc(Br)cn2)c1)c1ccc(Cl)cc1Cl 752746789 KHEJOUZRMWWVGC-UHFFFAOYSA-N 438.112 5.087 30 20 IKED COc1ccc(C2(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CCC2)cc1OC 754108418 DPFWTZHUDZTWBT-HSZRJFAPSA-N 426.516 5.420 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H](C)Cc1ccccc1Cl 754300835 RECWAJKCGGTQGW-HOTGVXAUSA-N 430.957 5.095 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)cc1 754404830 APFGXRBHWXYVJC-QHCPKHFHSA-N 445.950 6.071 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCCn1ccc2cc(Cl)ccc21 760965378 JSGHTPWDKRZVKI-OAQYLSRUSA-N 435.955 5.547 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)s2)cc1 761688602 NQPIVFVMEZLETN-XMSQKQJNSA-N 446.576 5.143 30 20 IKED CCC1(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)CCC1 764754718 JYKCRRMKPYLCGM-UHFFFAOYSA-N 442.240 5.552 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1)c1ccccc1 765534582 LMMZEKAHNHRSIC-OAQYLSRUSA-N 432.486 5.406 30 20 IKED CC(C)(C)OC(=O)C1CCC(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 769953506 KQDXDGWQQMWZSR-SDVLMSEASA-N 433.552 5.364 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NN[C@@H](Cc2ccccc2)C(C)C)cs1 777448359 NPOYKGLVUZFVMI-QFIPXVFZSA-N 441.000 5.672 30 20 IKED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)c1 780304899 AOQOURWYLNLASZ-HSZRJFAPSA-N 435.483 5.180 30 20 IKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12 780306744 ZFWBJKYDRQXFQS-QFIPXVFZSA-N 449.510 5.488 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CCCC[C@@H]2C(=O)N2c3ccccc3C[C@@H]2C)n1 780402134 IEQOOCZMEOTQIX-OJAHFUOMSA-N 435.593 5.227 30 20 IKED C[C@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cc2ccccc2o1 786475301 KEWSTFFZIXUNRL-HNNXBMFYSA-N 431.448 5.073 30 20 IKED N#CC1(N(C(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)C2CC2)CCC1 791004205 HWCAWIRKYJLBDR-UHFFFAOYSA-N 447.336 5.110 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2ncnc(Cl)c2C(C)C)cs1 797403899 CDGGQQOBCBUGHE-UHFFFAOYSA-N 449.367 5.494 30 20 IKED C#CC[C@H](Cc1ccccc1)NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 803526385 WUFADXYXDRTGCK-GOSISDBHSA-N 442.346 5.117 30 20 IKED Cc1oc(-c2ccccc2)nc1Cc1noc(C2CCN(c3ccc(C#N)cc3F)CC2)n1 809276744 ZVIPLBNQMORMGY-UHFFFAOYSA-N 443.482 5.019 30 20 IKED CC(C)(C(=O)[C@H](C#N)c1cnc2ccccc2n1)c1csc(-c2cc(F)ccc2F)n1 810716699 LLSNLGNSKONBCC-OAHLLOKOSA-N 434.471 5.186 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccsc3)N(CC[C@H](C)F)C2=O)c1 814711727 UHZYEOGNRLCXPA-MAUKXSAKSA-N 433.574 5.073 30 20 IKED CC(=NNc1c(F)cc(C(=O)NC2CC2)cc1F)c1sc(-c2ccccc2)nc1C 814871887 NGAPTVIAFSXVCB-UHFFFAOYSA-N 426.492 5.125 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc3n(C(C)C)c4ccccc4n23)cc1 854408238 WLYRVZFZZFCLPF-SFHVURJKSA-N 446.580 5.001 30 20 IKED C=CCSc1ccccc1NC(=O)COC(=O)c1cc(Cl)ccc1Br 913344855 NLPZRCWCPSFMRI-UHFFFAOYSA-N 440.746 5.176 30 20 IKED COc1ccc2cc(/C=C\C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)ccc2c1 915055493 QBYOEMOACWYQMV-SDQBBNPISA-N 435.483 5.868 30 20 IKED CCCOc1c(Br)cc(/C=C\C(=O)c2ccc3c(c2)CCC(=O)N3)cc1OC 915992815 BURKAXRCZPIKGE-YWEYNIOJSA-N 444.325 5.027 30 20 IKED CCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(C)cc1 916213062 XOKDBMQWIFCBIL-LJQANCHMSA-N 445.972 5.027 30 20 IKED Oc1c(Cl)cc(Cl)cc1C=Nn1c(S)nnc1Cc1cccc2ccccc12 916278426 KQFNUMKBWOQZJZ-UHFFFAOYSA-N 429.332 5.205 30 20 IKED COc1ccc(/C=C\C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1OC 916449774 MCGDSFBVYDBXEM-LCYFTJDESA-N 428.488 5.001 30 20 IKED N#C[C@H](C(=O)C1(c2ccc(F)cc2)CCOCC1)c1nc(-c2ccc(Cl)cc2)cs1 920109847 ICIHLDVCLDWKEC-LJQANCHMSA-N 440.927 5.527 30 20 IKED COc1cc(/C=C2/CSc3ccc(F)cc3C2=O)c([N+](=O)[O-])cc1OCC(F)(F)F 921261366 KTOVSWRUMOTUDS-WCIBSUBMSA-N 443.374 5.056 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccoc4cn3)CCC2)cc1 1786103354 RXIYIAMODGHELE-UHFFFAOYSA-N 429.520 5.344 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc[nH]c4cc3F)CCC2)cc1 1786366802 USUSWVGPBMSTHS-UHFFFAOYSA-N 449.526 5.038 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccccc2)cc1 1803828104 GJYWTRNORRRGHB-XDZVQPMWSA-N 428.576 5.374 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)C(C)(C)CC(=C)C)[C@H]1c1cccnc1 1810488625 GMWKTIAAVZNWNC-FGZHOGPDSA-N 425.617 5.072 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](CC)c2ccccc2)CC1 1826316798 NEGBYYOZUASKQZ-VXKWHMMOSA-N 432.555 5.011 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3cc[nH]c23)CC1 1828828049 CQBJTWJAUGQEER-ISKFKSNPSA-N 433.596 5.170 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)nc2)CC1 1829520621 LJQLIEISVQZGHK-QFQXNSOFSA-N 445.607 5.194 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2C2CC2)CC1 1832555654 CFORBGQFTGUXPK-JOCHJYFZSA-N 430.539 5.009 30 20 IKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1832822515 HGKKVPUKRMUYTJ-ZCYQVOJMSA-N 443.031 5.113 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccccc2OC)cc1 10118354 JWQPEYYFWWHPLX-UHFFFAOYSA-O 425.599 5.274 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2cccc(O)c2)cc1 10179441 OUVWIIREYNNOKH-UHFFFAOYSA-O 446.379 5.600 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(\S)Nc2cccc3ccccc23)c1 11127137 MPMQXEYZZDUQLC-UHFFFAOYSA-O 439.604 6.610 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2ccccc2)cc1C 45326804 DSIMVIDPCLEBTP-UHFFFAOYSA-O 430.380 5.949 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(-c4ccc(C)cc4C)s3)n2)cc1 61069799 VSNXLQMZQMTEIU-LJQANCHMSA-N 445.569 6.049 30 20 IKED COc1ccccc1C(C)(C)CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 63392801 PUVCDBRIBDZWAO-UHFFFAOYSA-N 443.547 5.440 30 20 IKED Cc1cc(N2CCSCC2)ccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 65034020 KZZNZOGTEZFWAA-UHFFFAOYSA-N 443.572 5.251 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cn2ccccc2c1C#N 97007859 KURQEGGVNAFSHY-UHFFFAOYSA-N 435.940 5.113 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(Br)cc3Cl)s2)cc1 97466439 GUIZRXDGOFZDPI-UHFFFAOYSA-N 432.730 5.274 30 20 IKED COc1cc(C(=O)/C=C\c2c(C)nn(Cc3ccccc3Cl)c2C)cc(OC)c1OC 207090009 CNSHBVMTIQORSU-KHPPLWFESA-N 440.927 5.124 30 20 IKED N#CCOc1ccc(C(=O)/C=C\c2cccc(/C=C\C(=O)c3ccc(OCC#N)cc3)c2)cc1 209556340 QEZFZUZRAWQWGP-WPXFVRNCSA-N 448.478 5.284 30 20 IKED N#CCCCOc1cccc(NCc2csc(-c3cccc(Br)c3)n2)c1 236582666 HLBVIUIJCPNFTB-UHFFFAOYSA-N 428.355 5.867 30 20 IKED CCCOc1c(Br)cc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 248254859 RPYLTYOVJQWTBL-UHFFFAOYSA-N 449.370 5.311 30 20 IKED Cc1ccccc1-n1ncc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c1C 303132191 CDWWQUQWCJWRIN-RUZDIDTESA-N 436.515 5.063 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COc1ccc(C(=O)c2ccccc2)cc1 303250915 CALHLNIFIQJSLA-GOSISDBHSA-N 430.529 5.187 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3c3c(F)cccc3Cl)c2)c1 303783810 HBSRBWUWBLCDEH-OALUTQOASA-N 433.870 5.345 30 20 IKED CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 303820368 DTJBROYNTTVNKC-UHFFFAOYSA-N 427.504 5.265 30 20 IKED Cc1nc([C@@H]2CCCOC2)sc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 429703233 ZOLQYPMLIUOACW-CHWSQXEVSA-N 445.516 5.237 30 20 IKED Cc1c(C#N)cccc1NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 432261559 DPNKBAMOAXCLRQ-GHTZIAJQSA-N 430.474 5.090 30 20 IKED CCOc1ccc2c(c1)CCN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)cc1C)C2 434218884 TYOQQDSRSPFVJA-UHFFFAOYSA-N 441.531 5.435 30 20 IKED C=CCn1c(S[C@@H](C)Cc2ccc3ccccc3n2)nnc1[C@H]1COc2ccccc2O1 434799030 OANOKCDVVORJLV-GAJHUEQPSA-N 444.560 5.248 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1cccc(CSc2ccccn2)c1)c1ccccc1 435732950 SLEDMCISAHBHMO-QFIPXVFZSA-N 431.561 5.136 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(O)c(-c4nc5ccccc5s4)c3)CC2)c1 436528002 VQQXYFUKPHYXKM-UHFFFAOYSA-N 429.476 5.350 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 438920881 UYYSTUGKZJIZOV-MOPGFXCFSA-N 432.511 5.949 30 20 IKED N#Cc1cccc(C(=O)CSc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)c1 439040540 INNCOJKDVNINQD-UHFFFAOYSA-N 444.947 5.493 30 20 IKED Cc1oc(C#N)cc1C(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCCCC1 439143509 UUILJHHDQUVFSU-UHFFFAOYSA-N 433.533 5.375 30 20 IKED CCCC(=O)Nc1cccc(NC(=O)Nc2cnn(-c3cccc(C#N)c3)c2CCC)c1 439231098 AFRCCHNKIDRKLG-UHFFFAOYSA-N 430.512 5.079 30 20 IKED Cc1c(Br)cccc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 442816824 XFWFXWZFXDANHO-GFCCVEGCSA-N 433.277 5.649 30 20 IKED Cc1c(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)sc2nc(C(F)(F)F)ccc12 443887302 WEZNXZLGFCKNEF-UHFFFAOYSA-N 429.345 5.766 30 20 IKED Fc1cc(CNC2(c3cccc(OC(F)(F)F)c3)CCOCC2)cc(C(F)(F)F)c1 446845262 LEVWPZYYHVTNMH-UHFFFAOYSA-N 437.355 5.539 30 20 IKED COCCN(Cc1cncs1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 448015564 GMIZKOYACHFWKE-FQEVSTJZSA-N 440.956 5.132 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 460373687 FLKMOIRVBZHKBF-HYHKQLJDSA-N 445.592 5.004 30 20 IKED Cc1nc([C@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2CCc2ccccc2)cs1 460428002 RKWWACMTJGITRQ-HSZRJFAPSA-N 440.576 5.166 30 20 IKED N#CCCN(CC1CC1)c1nnc(-c2cccc(C(F)(F)F)c2)n1Cc1cccs1 461484546 CELIHHGZJMJIMO-UHFFFAOYSA-N 431.487 5.204 30 20 IKED N#Cc1ccc(F)c(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)c1 464051207 GBGADOBAFDFLFC-UHFFFAOYSA-N 441.871 5.340 30 20 IKED COc1ccc(C2(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)CCCC2)cc1OC 464679488 TYECWLVBSZZJSR-UHFFFAOYSA-N 443.503 5.213 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)c1 468630326 GZCXWPUEMHVBIC-LADGPHEKSA-N 435.911 5.071 30 20 IKED Cn1nc(C(F)F)c2cc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)sc21 470833314 TWNZPGKIGKBICY-UHFFFAOYSA-N 440.500 5.523 30 20 IKED N#Cc1ccc(-c2nnc(CN[C@H](c3ccccc3)c3ccc(Br)cc3)o2)cc1 471618290 LIDPHEFTFSWAJS-JOCHJYFZSA-N 445.320 5.250 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCSC[C@@H]2c2nccs2)c1 472095770 PVECSYHXRZIIGR-GOSISDBHSA-N 441.965 5.391 30 20 IKED COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 472143982 KRHJIBHUMIDSLG-GGAORHGYSA-N 428.488 5.418 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 472326186 KRKPVJVPFANAKE-YFZFPPMRSA-N 446.979 5.440 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OC)cc3OCC3CC3)n2)cc1 472519284 LQXHDPXTOWATFC-FQEVSTJZSA-N 434.517 5.106 30 20 IKED Cc1c(C(F)(F)F)nn(C)c1NC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 480102463 DPDUMCWKWPCCBS-NSHDSACASA-N 448.289 5.191 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)nnc1-c1cccs1 481387579 BWRATGANRSFQNJ-KRWDZBQOSA-N 426.611 5.110 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)c2cccc3ccccc23)nnc1-c1cccs1 481388795 GJAZRAQOWHDRGE-INIZCTEOSA-N 434.590 5.315 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481685624 PRNHMYPPJCOZSI-UHFFFAOYSA-N 440.478 5.368 30 20 IKED CC(C)c1c(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cnn1-c1ccccc1Cl 485159130 FFHKQOXRRNRDBC-UHFFFAOYSA-N 433.943 5.717 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc4cc(Br)ccc4o3)s2)cc1 487387359 PDERVXSRRYVDPM-UHFFFAOYSA-N 438.306 5.367 30 20 IKED Cc1cc(C)cc(-c2nnc(SCC(=O)Nc3ccccc3S[C@H](C)CC#N)o2)c1 488746614 GRYZTEROMUXTAG-MRXNPFEDSA-N 438.578 5.479 30 20 IKED C[C@@H](N[C@H](C)c1nc(C(F)(F)F)cs1)C(=O)Nc1sc2c(c1C#N)CCCCC2 490038560 UDOYEFQDHHQYBC-GHMZBOCLSA-N 442.532 5.042 30 20 IKED N#Cc1ccc(Br)c(CS(=O)(=O)[C@@H]2CCc3c(Cl)cc(Cl)cc32)c1 491606891 JRMDIAVCZZIRCF-QGZVFWFLSA-N 445.165 5.230 30 20 IKED Cc1cc(Br)cc2c1[C@@H](Nc1ccc3c(c1)CCC(=O)N3CCCC#N)CC2 494517563 ZWXKDWQBMRMSFZ-FQEVSTJZSA-N 438.369 5.440 30 20 IKED COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cccc(OCc3ccccc3C#N)c2)c1 495773371 AHAAAPDYQRQZMI-RUZDIDTESA-N 442.515 5.132 30 20 IKED CSc1nc(O)c(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)cc1C#N 497873621 GCTPCRKGTFXRAH-UHFFFAOYSA-N 434.502 5.035 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)n1 498029011 NQDBFGJROVUUFL-AWEZNQCLSA-N 432.332 6.251 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCC(=O)c1ccc(Br)cc1 499528655 JUAGANYPSZWUJB-SFTDATJTSA-N 439.353 5.100 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CSCc1cc(-c2cccs2)on1 500299197 QXHUYZJIIOAVQM-UHFFFAOYSA-N 425.579 5.193 30 20 IKED CCc1ccc(-c2nc(CC(=O)N(Cc3ccco3)c3ccccc3C#N)cs2)cc1 501020588 MHRKPOPIEQQVDB-UHFFFAOYSA-N 427.529 5.613 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(OCc3ccc(F)cc3)c2)cc1 502391643 WGWPUTDTFFMCPQ-UHFFFAOYSA-N 434.471 5.356 30 20 IKED Cc1cc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CCC3)nn1CCC#N 504087627 OGQJBRJDJHZBFI-VLGSPTGOSA-N 437.503 5.376 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)N[C@H](C#N)c3ccccc3Cl)c2)cc1 505635437 NQXNRBJMLDXOQP-RUZDIDTESA-N 446.934 5.435 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C 507059663 MOXMVTNEHBIECM-QGZVFWFLSA-N 439.556 5.725 30 20 IKED COc1ccc(COCc2cccc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)c2)cc1 508156412 GZARMEYPLOKLDA-UHFFFAOYSA-N 432.495 5.339 30 20 IKED C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 508903542 PAYRHBHUFHBXFE-FTRWYGJKSA-N 444.988 5.285 30 20 IKED CC[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(OC)cc1 509919160 JZKZTESZQKPXID-RUZDIDTESA-N 429.520 5.613 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccco1)C[C@@H]1CCCO1 510872429 NEZJLRBLZUKVES-QHCPKHFHSA-N 431.492 5.465 30 20 IKED CC(C)(CCC#N)CNC(=O)C(=O)Nc1cc(Cl)ccc1Sc1ccc(F)cc1 510976649 KLMSUHAXNSBULM-UHFFFAOYSA-N 433.936 5.015 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2cccc(F)c2)C2CC2)cc1 511367338 YZAKINDOJNIZBP-UHFFFAOYSA-N 429.495 5.667 30 20 IKED CC(C)n1c([C@H]2CCCN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)C2)nc2ccccc21 512686895 KJXLSVUPJGGXFB-IBGZPJMESA-N 432.543 5.312 30 20 IKED CN(Cc1cccc(OCc2cccc(C#N)c2)c1)[C@H](c1cccc(F)c1)c1cnn(C)c1 513031419 FOUHELWLYSMECT-HHHXNRCGSA-N 440.522 5.231 30 20 IKED N#C[C@@H](C(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)c1nc2ccccc2s1 513660193 KHAOXFAAAAFEAA-FQEVSTJZSA-N 434.524 5.698 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(-c2nc3ccc(C#N)cc3[nH]2)cs1 513857862 REKOTCNOEJDCFD-UHFFFAOYSA-N 427.411 5.261 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2nc3ccccc3s2)cc1 513902986 YHEZHZIHVJJRIM-UHFFFAOYSA-N 430.508 5.219 30 20 IKED CSc1ncc(Cl)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1 516399328 OJJUEKRNKNOHSM-UHFFFAOYSA-N 431.304 5.422 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)N(Cc1ccco1)c1ccccc1C#N)O[C@@H](C)C2 520765264 YSVDMSLUNGVVIN-JWNTYJGQSA-N 442.515 5.210 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccccc3Cl)o2)c1 520808652 ORGMTKVWRONWES-MRXNPFEDSA-N 440.956 5.434 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCCOc2ccccc21 523367370 JPCQHILRMMSUGG-IBGZPJMESA-N 433.321 5.200 30 20 IKED COc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c(Br)c1 523378952 FHGDNNIJSIKUIF-UHFFFAOYSA-N 437.293 5.161 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F 525048202 ZPTNLCDQPJHRKM-DZGCQCFKSA-N 426.410 5.732 30 20 IKED CCOc1cccc([C@H]2C[C@@H]2NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 539454976 MMAOKAJUOOPNPF-RSXGOPAZSA-N 441.531 5.408 30 20 IKED CC[C@H](C)c1ccc2nc(N(Cc3ccccc3)C(=O)[C@H](C)n3cnc(C#N)n3)sc2c1 540602510 KPAJNPIBMVKBOA-IRXDYDNUSA-N 444.564 5.067 30 20 IKED COCCC[C@H](C)C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 541226899 DODOTKVTLONECQ-TVQRCGJNSA-N 439.318 5.507 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NC[C@H](C)c1nccs1 543509622 MJKDITMTOCRMKG-AWEZNQCLSA-N 440.594 5.015 30 20 IKED C[C@H](NC(=O)N[C@H](c1ccccc1)c1nccn1C)c1ccc(-c2cccc(C#N)c2)cc1 543909876 CJCTZOIREOIDID-UQBPGWFLSA-N 435.531 5.109 30 20 IKED N#CCCN(C(=O)Cc1csc(-c2cccc(Br)c2)n1)c1ccc(F)cc1 553943972 BMPHNQBYZJILRC-UHFFFAOYSA-N 444.329 5.201 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](Sc1ccccc1F)c1ccccc1 557587072 FXQNWQNRYDHCNS-QHCPKHFHSA-N 425.525 5.349 30 20 IKED CCCOc1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1Cl 558312648 QREJAISBTLMLBS-UHFFFAOYSA-N 431.895 5.215 30 20 IKED Cc1ccc(NC(=O)Cc2c(F)cccc2C#N)cc1Oc1ncccc1Br 560685807 GNLWEOXYWBPLHI-UHFFFAOYSA-N 440.272 5.137 30 20 IKED C=CCn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CCC[C@@H]1c1cccc(Cl)c1 571843074 QOBKXVMXFJIJCD-YTFSRNRJSA-N 434.971 5.704 30 20 IKED C=C(C)Cn1c(SCc2nc(C3(OCCC)CCCCC3)no2)nnc1-c1ccco1 582793274 INFIILKGDLTILZ-UHFFFAOYSA-N 443.573 5.376 30 20 IKED CC(C)(C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 589044546 PXYYWKHJIMXDOQ-STQMWFEESA-N 449.357 6.009 30 20 IKED COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 590236902 IHYIPMTWZAFREY-UHFFFAOYSA-N 448.906 5.183 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1)c1nc2ccccc2o1 592975922 YEGWAFCHRRDYDF-CQSZACIVSA-N 428.391 5.945 30 20 IKED Cc1nc2ccnn2c(C)c1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 603948729 ACTPAGAXVRUBJL-MRXNPFEDSA-N 435.597 5.002 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 603968927 NCHUKTBIFGODPO-UHFFFAOYSA-N 435.508 5.394 30 20 IKED Cc1ccc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1OC(F)F 604099132 NZGNSALKMFFSKB-NXEZZACHSA-N 434.327 5.627 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(OCCc2ccccc2)CC1 606773577 KFOLVGJFMAZTTP-UHFFFAOYSA-N 433.470 5.134 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)CCc1ccc(Br)cc1 608918340 RIOXNNTVGPWWRM-QGZVFWFLSA-N 428.374 5.262 30 20 IKED COc1ccc(S[C@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 609105435 YQGZIGBVEVBUTC-MRXNPFEDSA-N 436.508 5.404 30 20 IKED CCOC(=O)c1sc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(C#N)c1C 609125402 CYSNGTHNCNULMY-UHFFFAOYSA-N 431.473 5.021 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(Oc4ccc(C(N)=O)cc4)cc3)cc2)cc1 609167608 LOOOJSKHALJZPF-UHFFFAOYSA-N 449.466 5.494 30 20 IKED N#C[C@@H](NC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1cccc(Cl)c1Cl 609414062 BXXLGDNQCMCWCL-OAHLLOKOSA-N 446.725 5.100 30 20 IKED Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)[nH]c2c1 609433792 JWLLUNRXVOXWJI-DEOSSOPVSA-N 437.503 5.904 30 20 IKED CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 609439749 NJTPWZLARJCCIH-DLBZAZTESA-N 441.622 5.397 30 20 IKED COc1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc(OC)c1OCc1ccccc1 609576686 XJDOYWATCVPUJY-UHFFFAOYSA-N 448.544 5.347 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cc1 609844331 DNCHRZFIJCNLQK-UHFFFAOYSA-N 437.503 5.638 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc4c(nc3O)CCCCC4)cc2Cl)cc1 609969419 UVKKAGYLUDTRJV-UHFFFAOYSA-N 433.895 5.626 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 609970883 OXNFAOIMYUUUTN-CQSZACIVSA-N 430.455 5.395 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)c1C 610054229 DLFQIJPJWOPFOI-CQSZACIVSA-N 429.307 5.074 30 20 IKED Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 610319902 MSJZPZPXHOAXIP-PXDATVDWSA-N 442.519 5.343 30 20 IKED COc1ccc([C@H](NC(=O)N[C@@H](C)c2cccc(C#N)c2)c2ccccc2Cl)c(OC)c1 610355649 WXYDMEPRTSHBFT-UPCLLVRISA-N 449.938 5.379 30 20 IKED CCOC(=O)c1sc(NC(=O)c2sc(-c3ccccc3)nc2C(F)F)c(C#N)c1C 611184147 BPJLNDCNXRKDNG-UHFFFAOYSA-N 447.488 5.418 30 20 IKED COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(OC)c1 613346117 DQMOENOVDBKVPF-HNNXBMFYSA-N 433.316 5.624 30 20 IKED N#Cc1ccc(N2CCC[C@@H]2c2nc(C(F)(F)c3ccc(Cl)c(Cl)c3)no2)cc1 615133227 RTOGFJXNVHXEBP-QGZVFWFLSA-N 435.261 5.730 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 618742533 MMIZWQMARBQMEX-QHCPKHFHSA-N 436.342 5.894 30 20 IKED C=CCOc1c(Cl)cc(CNc2ccc(C(=O)N3CCCCCC3)cc2)cc1OC 630066816 DEBJKEDBZKTTHP-UHFFFAOYSA-N 428.960 5.542 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1CCSc2ccc(F)cc21 642671658 DUZUFRSMCIHCGF-GPCCPHFNSA-N 444.416 5.571 30 20 IKED O=C(Nc1ccc(OC(F)F)c(Cl)c1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674549236 BFOZWGRRXLQRKQ-OCAPTIKFSA-N 426.691 5.146 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C\c3cnc(-c4ccccc4)nc3)SC2=S)cc1Cl 726626636 IVFBTIIPTRIVAC-QGMBQPNBSA-N 434.933 5.074 30 20 IKED COc1cc(C(=O)/C=C/c2csc(-c3ccc4c(c3)OCO4)n2)ccc1OC(F)F 728439143 FTKQWFPFOZHSQZ-SNAWJCMRSA-N 431.416 5.045 30 20 IKED CCOc1ccc(-n2c(-c3ccc(Cl)cc3)nn(CN(C)[C@H](C)CC#N)c2=S)cc1 728901836 AIZJXWKGLICPAO-MRXNPFEDSA-N 441.988 5.314 30 20 IKED Cc1nc(CCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)oc1-c1ccccc1 730397036 NQVRWTWRDQFFGV-INIZCTEOSA-N 449.482 5.861 30 20 IKED N#CCOc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(Cl)cc2)cc1 731159471 RXRQIKGFSZSMDD-UHFFFAOYSA-N 447.947 5.293 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(CCCCCC(=O)O)C(=O)N[C@@H]1c1ccccc1 731434712 QXAGSOCJLREJPJ-JOCHJYFZSA-N 440.927 5.052 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C\C(=O)c1ccc(C(F)(F)F)nc1O 731564531 IHWGAGYLHKCAQW-ALCCZGGFSA-N 442.224 5.503 30 20 IKED CC(C)(C)OC(=O)NCc1nc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cs1 732733216 FKFMCZIIRFKIHA-LJQANCHMSA-N 448.548 5.076 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1cc(Cl)sc1Cl 733079925 MSJYIYCPSISXFN-UHFFFAOYSA-N 432.258 5.762 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC=C(c3cccc4ccccc34)CC2)c1 733804930 LJJQKUFICAAHPP-QHCPKHFHSA-N 425.532 5.520 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccccc2)[C@@H](C)c2cccs2)c1 733805466 UENKLYUOARWFPN-SIKLNZKXSA-N 433.577 5.902 30 20 IKED C#CCN(C(=S)N[C@@H](CC)c1cccs1)[C@@H]1CCOc2ccc(Br)cc21 734379559 HRUMJXGDPAWSSU-DLBZAZTESA-N 449.439 5.295 30 20 IKED CNC(=O)c1ccc(Cl)cc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 735000396 BAEQXEORAWNIHI-UHFFFAOYSA-N 440.286 5.269 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3cc(-c4ccccc4)on3)cc2F)c1 736014000 WNQATOUZHSAJCO-UHFFFAOYSA-N 427.435 5.113 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)NCc3ccc(OCC(F)(F)F)cc3)c2)s1 740025874 NDGGJYRFMXYKBF-UHFFFAOYSA-N 445.466 5.227 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)cc1 741903809 WBOCEGONIOBOLT-OAQYLSRUSA-N 437.455 5.021 30 20 IKED Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1NC(=O)OC(C)(C)C 742546654 ROYMJQUOUFZCPC-UHFFFAOYSA-N 444.491 5.653 30 20 IKED CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 743476126 FPKUUNCXXKDUHW-ACJLOTCBSA-N 430.392 6.256 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1cc(Oc2ccccc2)ccn1 745977702 UTPHAEQBDFDROE-UHFFFAOYSA-N 439.265 5.126 30 20 IKED COc1cc(C=NNc2cccc(Br)c2)ccc1OCc1c(C)noc1C 745988793 LGECWWKCYFFHLG-UHFFFAOYSA-N 430.302 5.088 30 20 IKED CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 748944413 XZDHUDKCSIYWID-RUZDIDTESA-N 429.520 5.555 30 20 IKED Cc1nc2sc3c(c2c(=O)n1N=Cc1cc(-c2ccccc2)ccc1O)CCCCC3 749444630 SYTMFAKWTCMHMG-UHFFFAOYSA-N 429.545 5.290 30 20 IKED Cc1[nH]c2ccc(Cl)cc2c1C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 751924852 BNBUYWQZCUJTKF-CYBMUJFWSA-N 441.940 5.177 30 20 IKED CCSc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1 755604861 SOPJHAHNYVUNSR-YRNVUSSQSA-N 444.528 6.114 30 20 IKED N#CCOc1cccc(CC(=O)Nc2sc3c(c2-c2nc4ccccc4[nH]2)CCCC3)c1 760330352 HUWIRDOBZXMNIR-UHFFFAOYSA-N 442.544 5.254 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(F)cc1OCC#N 760783845 MISJAUVEINODOS-CYBMUJFWSA-N 445.903 5.297 30 20 IKED Cc1cc(C(=O)Nc2ccc(F)cc2OCC#N)c(C)n1-c1ccc(Br)cc1 760978437 XZRAENANTFKNDA-UHFFFAOYSA-N 442.288 5.150 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H]2CCCc3nc(-c4ccccc4)sc32)ccc1OC 772986024 MPBZJZXCNPHUSC-WOJBJXKFSA-N 433.577 5.667 30 20 IKED CCCCCCCCn1nc(C)c(S(=O)(=O)Nc2ccc(C)c(NC(C)=O)c2C)c1C 775161067 VRBMFNOWAMWIOP-UHFFFAOYSA-N 448.633 5.236 30 20 IKED CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)OCC)c(C#N)c1 777051867 QJZXVNCUVISBIX-UHFFFAOYSA-N 442.497 5.179 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)cc1 777301408 DFANNDHZIBNHBI-QGZVFWFLSA-N 441.318 5.011 30 20 IKED C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 783075679 DKAZZJJRUGZYSN-YGRLFVJLSA-N 445.224 5.127 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 794493746 FPQBVYGUHLPYOQ-LLVKDONJSA-N 440.308 5.171 30 20 IKED C[C@H](CC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 797569143 AWXPGMQUSBHQAJ-ZACQAIPSSA-N 433.618 5.290 30 20 IKED CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797570381 GMMNEGZNUVJYBF-DLBZAZTESA-N 431.989 5.115 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 799220632 NJPJOOJBUIJCSB-UHFFFAOYSA-N 439.384 5.240 30 20 IKED CSc1ccc(Cl)c(C(=O)OCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)c1 801133340 FCRFVGZGVOYPLP-UHFFFAOYSA-N 437.348 5.127 30 20 IKED CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[C@@H](C#N)c1nc2ccccc2o1 805860371 DMZGTQFBGDGZBD-XLIONFOSSA-N 433.508 5.296 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)C2(Cc3cccc(Cl)c3)CCCCC2)n1 805866166 QCMNYSYUOWAWRL-KRWDZBQOSA-N 430.957 5.343 30 20 IKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(CC(C)(C)CCC#N)C2=O)cc1 807931526 TZKQLIXMJNYFRX-NRFANRHFSA-N 448.592 5.285 30 20 IKED CC[C@@H]1[C@@H](C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)CCN1C(=O)OC(C)(C)C 810536950 SUJPIBRUYMHAAG-OFQRWUPVSA-N 433.961 5.162 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1sc2cccc(F)c2c1Cl 883978414 MZLAJMPTVDMHPC-HTQZYQBOSA-N 447.803 6.333 30 20 IKED O=C1Nc2c(ccc(Cl)c2Cl)C1=NNc1nnc(-c2ccccc2)n1-c1ccccc1 915050864 FSLMVYLJEKOBQQ-UHFFFAOYSA-N 449.301 5.009 30 20 IKED CCCOc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1 915107403 SPKYNWIPANTKFC-QGZVFWFLSA-N 425.435 5.060 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 915353174 LSSKOKSHXRBPCO-GMAHTHKFSA-N 438.556 6.321 30 20 IKED Cc1ccccc1-n1c(SCCCOc2ccc(C#N)cc2)nnc1-c1cccnc1 915790887 JYYWRMRGULQOIO-UHFFFAOYSA-N 427.533 5.071 30 20 IKED CC(C)(C)C(=O)NCCCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997301 VDVGKWXABIRWNL-AWEZNQCLSA-N 438.380 5.236 30 20 IKED N#C[C@H](C(=O)CCc1cc(F)ccc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1 920111463 WPBOIBACWBFKKU-OAHLLOKOSA-N 437.298 6.204 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccccc3OC(F)(F)F)n2)cc1 920143554 XUBNYFHEBQCKOC-FVNWOWOISA-N 439.418 5.470 30 20 IKED Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3cccc(OCc4ccccc4C#N)c3)o2)c1 920416165 RCIKQPFHQSSIIG-GOSISDBHSA-N 439.471 5.414 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806279 JMJUPYKFMGFDKZ-AWEZNQCLSA-N 434.427 5.142 30 20 IKED COc1c(Cl)cc(Cl)cc1C=Nn1c(C)nc2sc3c(c2c1=O)CCCCC3 921255414 QZCWVODHRQICQH-UHFFFAOYSA-N 436.364 5.233 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ccnc4ccccc34)cc2)CCC1)C(F)(F)F 1788890942 KPGZVZZSPMHAIC-UHFFFAOYSA-N 439.437 5.101 30 20 IKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@@]4(C)CC=CCC4)CCC3)cc2)c1 1790076971 WHQOUEACWGEUGS-SANMLTNESA-N 443.547 5.061 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)c(F)c(Cl)c4)cc3)CCC2)CC1 1790775053 WXMPVGIHVCVNGI-UHFFFAOYSA-N 446.309 5.184 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4c(F)ccc(Cl)c4F)cc3)CCC2)CCC1 1792159971 VFVCBHQHKGLEIN-UHFFFAOYSA-N 443.881 5.060 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3sccc3s2)c1 1798033132 HHQIFWNIWHTZKH-DQEVTTJGSA-N 449.601 5.155 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3cnccc3c2)n[nH]1 1818641891 NAPCOMUATNHBLZ-JOCHJYFZSA-N 445.567 5.256 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)c(C)cc2F)[nH]n1 1819311373 XAQYAFJRGCNYIJ-IERDGZPVSA-N 442.510 5.071 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(Cl)cccc2Cl)n[nH]1 1820435428 XAJXIMMIXUHVFA-CXAGYDPISA-N 435.355 5.235 30 20 IKED CC(C)=CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1820808413 QKKUQDXLKZREMG-XMSQKQJNSA-N 433.556 5.089 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(-c4ccccc4)cc2)C3)c1 1846833129 ROTSDVKUAOVLCQ-OAQYLSRUSA-N 449.554 5.111 30 20 IKED COc1ccc(-n2c(S[C@H](C)C#N)nnc2-c2ccc(Br)cc2)cc1Cl 8761234 MVMWRNVVAPFTSJ-LLVKDONJSA-N 449.761 5.363 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)nc2sc(C)c(C)c2c1=O 11149099 PYBNIPGAPBDROK-KRWDZBQOSA-N 441.622 5.305 30 20 IKED CC(C)(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2cccc(O)c2)cc1 11248274 KALPGPZJAYINBM-UHFFFAOYSA-O 441.523 5.306 30 20 IKED N#Cc1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1Cl 14686181 CNUQPJCSCURUNU-OAQYLSRUSA-N 438.314 5.365 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 64301092 SWHOHRKWNRWOFM-UHFFFAOYSA-N 427.529 5.019 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccccc1F 218655634 XBNXXNZRLLNFQS-HNNXBMFYSA-N 444.963 5.660 30 20 IKED CC(=O)Nc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c(Cl)c1 261437129 LRRPJWMBNMZBOI-UHFFFAOYSA-N 440.286 5.868 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(OC(C)C)cc1 303137705 DDMAGWYMUXGFFG-UHFFFAOYSA-N 429.520 5.555 30 20 IKED Cc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccc(Br)cc2n1 303307400 PZEVKTKLQKWDMV-ZDUSSCGKSA-N 440.366 5.810 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N(Cc3ccccc3)CC3CCOCC3)c2)c1 303609356 LFHLVLBZBXLSQC-UHFFFAOYSA-N 440.543 5.206 30 20 IKED COc1cc(C(=O)Nc2ccc(F)cc2C#N)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 433992376 ZQTMKZNIMIALHQ-UHFFFAOYSA-N 441.802 5.312 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3ccccc3[C@H]2CO)cc1Cl 434220754 PCNFONQCNXWZPF-LADGPHEKSA-N 431.923 5.119 30 20 IKED CC(C)(CO)[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1 437754646 BMZAIYCBCBRJRL-DEOSSOPVSA-N 429.520 5.274 30 20 IKED CCCN(CCC)C(=O)c1ccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 437765161 ZNFGHZBIHZLHBG-ZEQRLZLVSA-N 432.568 5.252 30 20 IKED Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 437923605 TUWJLVDKLPRFCJ-UHFFFAOYSA-N 428.492 5.199 30 20 IKED COCCN(C(=O)N[C@@H](CCC#N)c1ccccc1)[C@@H](C)c1cccc(C(F)(F)F)c1 438840616 NLNLDEVMVPMVIQ-UWJYYQICSA-N 433.474 5.469 30 20 IKED Cc1cc(C#N)ccc1C(=O)Nc1ccc(CN(C(=O)c2ccc(C#N)cc2C)C2CC2)cc1 439010083 ZELYPKDLABOVLD-UHFFFAOYSA-N 448.526 5.104 30 20 IKED N#CCC[C@@H](NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1)c1ccccc1 439670541 FSGTVBWJNDEJLE-GOSISDBHSA-N 430.291 5.335 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@@H]3c3nc4ccc(Cl)cc4[nH]3)o2)cc1 440766730 ZCNQMSRSIIIYLO-OAQYLSRUSA-N 446.894 5.237 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C 442380901 MBHYRNUBHIQFOA-GEPFMOHWSA-N 441.984 5.044 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)C1(c2ccccc2)CCCC1 442522650 QSOJBQLECWXCKM-MOPGFXCFSA-N 435.593 5.036 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)nc2ccccc21 444436193 CTXXTPIUOWNZHC-AWEZNQCLSA-N 425.366 5.222 30 20 IKED COc1cccc(-c2noc([C@H](C)NCCC(C#N)(c3ccccc3)c3ccccc3)n2)c1 444688239 IWPPENAOWRGNMX-FQEVSTJZSA-N 438.531 5.296 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3ccc(-c4cc(F)c(F)c(F)c4)cc3)CC2)cc1 460153028 VTDXKLQKKJZIKS-UHFFFAOYSA-N 436.433 5.326 30 20 IKED CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 460650965 AYQOOYWOLVWXEB-UHFFFAOYSA-N 427.504 5.068 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC=C(C(F)(F)F)CC1 460797550 JNPMQOVCCLYUFF-MRXNPFEDSA-N 436.478 5.092 30 20 IKED CO[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(Cl)cc1 461023854 KEKYJXJNANNAPN-QFIPXVFZSA-N 436.964 5.621 30 20 IKED N#Cc1cccnc1-n1cc(NC(=O)c2cc(Cl)ccc2Sc2ccccc2)cn1 461278503 WQZZPIVBHGPZAY-UHFFFAOYSA-N 431.908 5.196 30 20 IKED Cc1cccc(O[C@H](C)c2nnc(N(CCC#N)CC3CC3)n2Cc2cccs2)c1C 461498450 STXIIBQQQQMEGE-LJQANCHMSA-N 435.597 5.275 30 20 IKED CC(C)c1nn(C)c2sc(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)cc12 463547109 SQGDXBSYQOQVNO-OAQYLSRUSA-N 444.560 5.332 30 20 IKED CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 464939208 IRAVVVZGFSXVGK-XMMPIXPASA-N 439.559 5.335 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)c1C#N 468847367 DZNIOLZTNYMTSX-UHFFFAOYSA-N 425.504 5.150 30 20 IKED C[C@@H](O)C[C@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1 469507838 CPOHLRAJQXKWPW-HYBUGGRVSA-N 443.547 5.008 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(OC(F)F)c1 475022679 KDGODJFJUBJHQQ-OAHLLOKOSA-N 434.851 5.564 30 20 IKED N#CCCn1cc(CNc2ccc(N3CCCCC3)c3ncccc23)c(-c2ccccc2)n1 475327081 AKMRYFSELPUVPN-UHFFFAOYSA-N 436.563 5.614 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1[C@H]2CC[C@H]1CC(N(C)C(=O)c1ccccc1)C2 475545360 JHYKIMLTFYJVCV-GOTSBHOMSA-N 445.607 5.838 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 476141177 IYWRVQHTEPDZFO-UHFFFAOYSA-N 425.579 5.490 30 20 IKED Cc1ccccc1-n1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cn1 482336634 RCYNVXULADFPER-UHFFFAOYSA-N 430.455 5.458 30 20 IKED CC(C)(C)c1nsc(Oc2ccc(NC(=O)N3CCC(F)(C#N)CC3)cc2Cl)n1 482504428 QEERKPKMRGZRDA-UHFFFAOYSA-N 437.928 5.141 30 20 IKED O=C(C[C@H](c1ccccc1)C(F)(F)F)Nc1ccc(OC(F)F)cc1OC(F)F 482782460 QKSPIUREVVOMQP-GFCCVEGCSA-N 425.300 5.564 30 20 IKED N#CCCN(C(=O)c1ccc(COc2ccccc2C#N)o1)C12CC3CC(CC(C3)C1)C2 486557251 OAGBLXRNDXQZDR-UHFFFAOYSA-N 429.520 5.055 30 20 IKED C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 487178346 UBEOAHDVNOLJBJ-LJQANCHMSA-N 447.560 5.159 30 20 IKED N#CCCC[C@@H](NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1ccccc1 487417639 FQYMPDTUHOMVOR-JWQCQUIFSA-N 425.532 5.099 30 20 IKED COc1cccc(-c2nnc(SCc3ccccc3C(C)(C)C#N)n2Cc2ccco2)c1 488535313 LKPULIILWJKXJI-UHFFFAOYSA-N 444.560 5.688 30 20 IKED C[C@H](Sc1nnc(-c2cccc3ccccc23)o1)C(=O)Nc1sc2c(c1C#N)CCC2 488809827 UXABVAAZXJVHIQ-ZDUSSCGKSA-N 446.557 5.431 30 20 IKED Cc1cc(CNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c2[nH]c(C)c(C)c2c1 500054938 YNIWJACOZKTKQN-UHFFFAOYSA-N 439.563 5.417 30 20 IKED COCCN(C(=O)CSCc1ccc(C#N)cc1)[C@@H](C)c1cccc(C(F)(F)F)c1 500302145 IVVAMGBXQQCNMR-INIZCTEOSA-N 436.499 5.046 30 20 IKED N#Cc1cc(NC(=O)c2cccc(Br)c2Cl)ccc1OCC(F)(F)F 502940787 NYVKWTLZRKITCQ-UHFFFAOYSA-N 433.611 5.168 30 20 IKED CCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)[C@H]1CCSc2ccc(Br)cc21 504641302 DDZUFMVAXLZAPY-LIRRHRJNSA-N 445.382 5.174 30 20 IKED Cc1ccc(OCc2ccc(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)o2)c(C)c1 504712427 PJMKDCSXNYOZHH-UHFFFAOYSA-N 430.504 5.031 30 20 IKED Cc1ccc2sc(N(Cc3ccccc3)C(=O)CN3CCC(C)(C#N)CC3)nc2c1C 506023244 UUQAUFZPKICFCH-UHFFFAOYSA-N 432.593 5.072 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 506734096 UPBVEQJWDDKZCI-INIZCTEOSA-N 444.362 5.285 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)o1 509671160 CNXNTHWNGRHYRT-UHFFFAOYSA-N 435.439 5.647 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](CC(F)(F)F)c2ccccc2)cc1 510662524 LXWCYONALZBOOJ-FQEVSTJZSA-N 431.458 5.316 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@H](C)c1nc2ccccc2s1 510856424 FGFNMYQPJYNSSG-QGZVFWFLSA-N 442.544 6.494 30 20 IKED Cc1cccc(NC(=O)CSCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 511563395 BKSBRSVQDHMFLQ-UHFFFAOYSA-N 445.544 5.278 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CC[C@@H](n3ncc4ccccc43)C2)cc1Cl 511720558 QASNATQILMBLTR-HXUWFJFHSA-N 442.906 5.441 30 20 IKED CCN(Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1)C1CC1 511786456 RXNPUBGMJFNDIE-UHFFFAOYSA-N 438.531 5.047 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 512302900 PEHCRGFLVPMOFA-UHFFFAOYSA-N 446.894 5.411 30 20 IKED C[C@@H]1CCCCN1C(=O)c1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)cc1 512585112 BFLYBPQOWKTNDR-HXUWFJFHSA-N 427.552 5.090 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC(Oc3ccccc3Cl)CC2)o1 513875065 VAEXPUVZOYFVJG-UHFFFAOYSA-N 436.895 5.067 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NCCCOc3ccc(Cl)cc3Cl)cc2)nc1 517669191 ZPQANIZKSNCMLX-UHFFFAOYSA-N 442.302 5.251 30 20 IKED N#Cc1c(NC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)sc2c1CCCCC2 518170171 QFIZTHYQLBXUBJ-CQSZACIVSA-N 448.514 5.158 30 20 IKED COc1ccc2[nH]cc(C3=CCN(C(=O)Nc4ccccc4SC[C@@H](C)C#N)CC3)c2c1 519450969 NWVPBCPYWMFWMV-KRWDZBQOSA-N 446.576 5.749 30 20 IKED COc1ccccc1[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1 520941378 LRBRLWWYKJVLMU-KOSHJBKYSA-N 431.561 6.001 30 20 IKED COc1cc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)ccc1OC1CCCC1 521420190 LUVHCGGCXWHHDP-IBGZPJMESA-N 435.568 5.569 30 20 IKED C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1 522636093 MQONEQMZQXIZKL-NSHGMRRFSA-N 437.971 5.481 30 20 IKED Cc1ccc(OCCCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 522951410 KCZFCYDXWDWEJJ-UHFFFAOYSA-N 429.520 5.231 30 20 IKED C[C@H]1CN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c2ccccc2N(C)C1=O 525532743 CMLJZPAEWDOXMI-INIZCTEOSA-N 445.906 5.263 30 20 IKED CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C1CCN(c2oc(C)nc2C#N)CC1 527272614 XSVIKJWWOOAYSR-QFIPXVFZSA-N 442.991 5.360 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N(Cc2cccnc2)Cc2ccco2)cc1 531365869 KORWXAMPRCMKBS-UHFFFAOYSA-N 425.513 5.540 30 20 IKED COc1cccc(F)c1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 531874531 PUANDNALMWPROV-UHFFFAOYSA-N 435.402 5.024 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1ccc([S@@](C)=O)cc1 534476564 XDJYSBJYUDGERO-NMEJYPJZSA-N 433.533 5.279 30 20 IKED N#CCCN(C(=O)CN[C@H](CC(F)(F)F)c1ccc(F)cc1)c1cccc(Cl)c1 537075542 WBUFFCCEXFRTAB-GOSISDBHSA-N 427.829 5.009 30 20 IKED CN(C(=O)c1c[nH]c(C#N)c1)[C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 538708401 IDUDSSHZYQSFLO-LJQANCHMSA-N 428.717 5.164 30 20 IKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 539209625 FZHSFLKKSOWCIQ-QGZVFWFLSA-N 426.545 5.738 30 20 IKED Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)c[nH]c12 539563349 GOSVJNUUGMIDPW-KRWDZBQOSA-N 446.322 5.028 30 20 IKED CN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 541660967 VKCVBBOJRIBBLN-NLFFAJNJSA-N 448.469 5.621 30 20 IKED COc1ccc(NC(=O)C[C@@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(OC)c1 542106457 NFYOLQSJAQDHKU-MOPGFXCFSA-N 443.547 5.310 30 20 IKED C[C@H](NC(=O)NCc1ccc(N2CCCCC2)nc1)c1ccc(-c2cccc(C#N)c2)cc1 542981928 FUMUTWGESYBLFM-FQEVSTJZSA-N 439.563 5.171 30 20 IKED C=C(C)Cn1c(-c2cc(-c3ccccc3)nc3ccccc23)nnc1N(C)Cc1cnccn1 549326064 GKSRGJFWCCCCSP-UHFFFAOYSA-N 447.546 5.163 30 20 IKED C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2cccs2)C1 555261344 QTUOABIPCOTGDP-GOSISDBHSA-N 447.029 5.439 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ncc(-c3ccccn3)s2)cc1 561024421 VQLAPSLBJAGLOJ-UHFFFAOYSA-N 428.542 5.621 30 20 IKED C=CCn1c(Cc2cccc3ccccc23)nnc1N1CCC[C@@H]1c1ccc(COC)o1 565390019 HYWGMKOEUKJDEB-HSZRJFAPSA-N 428.536 5.289 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1 573587662 RITXALIPQCIWFM-UHFFFAOYSA-N 440.979 5.040 30 20 IKED COc1cc(-n2cccc2)c(Cl)cc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 592973404 FPTKNHFTXLGLHK-CQSZACIVSA-N 425.872 5.378 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1ccc(C(F)(F)F)cn1 592975479 GFVVRRAKUXXNFQ-LBPRGKRZSA-N 425.197 5.083 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 599517309 AXXDSYSYDFRMLW-IRXDYDNUSA-N 449.366 5.865 30 20 IKED CSc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1[N+](=O)[O-] 603613647 ITYVKDWFFIPNDP-NSHDSACASA-N 437.424 5.435 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CCc3ncc(-c4ccccc4Cl)o3)cn2)c1 603623376 INQHKIDJEFZHQG-UHFFFAOYSA-N 444.878 5.625 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(c2cccc(Cl)c2)CCCC1 603739078 OMSWDCBXZPSXRD-UHFFFAOYSA-N 431.923 6.158 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCc4[nH]c5ccc(Cl)cc5c4C3)cn2)cc1 603829277 PPAMRBWEIBLYND-UHFFFAOYSA-N 443.894 5.470 30 20 IKED Cc1noc2nc(C3CC3)cc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)c12 603992036 OKPHBTUXGOZCKM-UHFFFAOYSA-N 426.501 5.360 30 20 IKED C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1 603992220 KGNKGLWTFIFPKE-KUHUBIRLSA-N 427.529 5.232 30 20 IKED Cc1cc(-c2noc([C@@H](C)Nc3cccc(OCc4cccc(C#N)c4)c3)n2)ccc1F 604044274 IUZOJWRRYWLALI-QGZVFWFLSA-N 428.467 5.808 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cc1 608290421 WJHIJTZTCLPVIC-UHFFFAOYSA-N 449.942 5.043 30 20 IKED Cc1ccc(Br)cc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 608552854 GPOKFMNWOFRUOE-ZDUSSCGKSA-N 439.256 5.876 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(C)nn(Cc2ccccc2)c1C 608876466 NNNVBIPMCQGRSU-UHFFFAOYSA-N 437.503 5.168 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(-c2nc3c(Cl)cccc3[nH]2)cc1 608947888 FXOFXHCJMBLFET-UHFFFAOYSA-N 445.910 5.044 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 609060388 CMPAOKZIMZKGRE-UHFFFAOYSA-N 442.906 5.537 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(OCC(F)(F)F)cc3)cc2)c1 609063922 NAMQEENAICTDMG-UHFFFAOYSA-N 426.394 5.331 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCc1c[nH]c2ccccc12 609355845 ZTSMIVZIJWZOEO-UHFFFAOYSA-N 438.531 5.681 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 609398495 XDUFIOOCNPXPFO-UPJWGTAASA-N 439.425 5.533 30 20 IKED COc1cccc(CN(C[C@@H]2CCCO2)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 609398620 DTMJEROLFRPQES-RXVVDRJESA-N 439.581 5.160 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3nc4cc(C(F)(F)F)ccc4s3)cc2)nc1 609498634 SMLABYBNAPXIJC-UHFFFAOYSA-N 440.406 5.626 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)CC1 609508524 GLQVZSOPEATQAR-ZYKFHVCXSA-N 428.454 5.187 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC3(c4ccccc4)CCOCC3)cc2Cl)cc1 609573056 VKEDWKVUZYVLBC-UHFFFAOYSA-N 447.922 5.831 30 20 IKED N#C[C@@H](NC(=O)c1ccccc1SCc1ccco1)c1cccc(Br)c1 611252842 XPEWYQQUKAYKEN-GOSISDBHSA-N 427.323 5.329 30 20 IKED CC[C@@H]1c2ccccc2CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 614149618 GGDNAAZKJRSCPJ-AREMUKBSSA-N 425.532 5.873 30 20 IKED CCC(=O)c1ccc(OCC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1 642077263 UYUWJNNUMHNRHC-UHFFFAOYSA-N 430.479 5.211 30 20 IKED CO[C@H](C)c1nc(C)c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1 674299600 QDDSSYJQRPUTJL-KOLCDFICSA-N 425.457 5.278 30 20 IKED CC(C)(C)Oc1cc(F)ccc1NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 678017805 FJZGBFPFBVORJT-GHMZBOCLSA-N 430.364 5.598 30 20 IKED CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1OC 726628044 XCLSUNGYBFYRHS-GRSHGNNSSA-N 444.965 5.415 30 20 IKED Cc1ccc(-c2noc([C@H](C)OC(=O)c3ccc(COc4ccc(C#N)cc4)o3)n2)cc1F 728109280 OHSAPCQPYBJPSD-HNNXBMFYSA-N 447.422 5.146 30 20 IKED Cc1ccc(-n2c(SCc3ccc(OCC#N)cc3)nnc2-c2ccccn2)c(C)c1 729241236 COHAWFUOYTXSHT-UHFFFAOYSA-N 427.533 5.141 30 20 IKED Cc1ccccc1-c1noc(CON=C(Cc2nc3ccccc3n2C)c2ccccc2)n1 731664342 KSIQZKPBIGFIIU-UHFFFAOYSA-N 437.503 5.095 30 20 IKED Cc1c(C(=O)/C=C\c2csc(-c3cccc(Br)c3)n2)c(C#N)c2n1CCC2 731936546 ANWJUGVZWPFUCL-FPLPWBNLSA-N 438.350 5.397 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2)CC2CCOCC2)cc1 732418736 VODXUJLADFZEKE-MHZLTWQESA-N 439.559 5.803 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 732436458 SKOYBPVOHBILHI-UHFFFAOYSA-N 448.567 5.294 30 20 IKED O=C1/C(=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)Cc2c(F)cc(Br)cc21 733084166 XGAYZQBMOGRJIX-WCIBSUBMSA-N 445.269 5.442 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)Cc2ccc(Cl)cc2Br)cc1 733218386 YHQTXEVYLKKTKZ-UHFFFAOYSA-N 445.666 5.108 30 20 IKED C#CCN(C(=O)Nc1ccc(F)cc1Cl)[C@H]1CCOc2ccc(Br)cc21 733615891 LKYCPJUDACHUDC-KRWDZBQOSA-N 437.696 5.233 30 20 IKED COc1ccc(/C=C2/CCOc3c(Br)cccc3C2=O)cc1OC(F)F 733748883 MJXGRGCOYJFGCL-XFXZXTDPSA-N 425.225 5.108 30 20 IKED C[C@H](c1ccccc1)N1CCC(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 734930788 YOSPWLTWUUHAEE-ZBLYBZFDSA-N 438.575 5.689 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@H]1C[C@H]1c1c(F)cccc1F 734964730 ZOOGYBBPYVIVMY-SQNIBIBYSA-N 432.426 5.208 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)cc1 740435760 UGHVDWZTQDWAAS-DHIUTWEWSA-N 444.510 5.716 30 20 IKED Cc1cc(COc2ccc(/C=C\C(=O)c3c(Cl)nc4sccn34)cc2)oc1C(=O)O 741844941 TUNNQYHGHHIKCN-DAXSKMNVSA-N 442.880 5.124 30 20 IKED CS(=O)(=O)c1ccc(C(=O)/C=C\c2cccc(OCc3ccccc3Cl)c2)cc1F 741846458 GKHWHHDVZXOVKK-LUAWRHEFSA-N 444.911 5.358 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=S)NCc1ccc(OC(F)(F)F)cc1 742999318 PZOJNXSMMOVEHD-ZDUSSCGKSA-N 425.501 5.466 30 20 IKED CC(C)Oc1cccc([C@@H](O)CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 743238141 KKWRBIBFGIUKCQ-QFIPXVFZSA-N 449.482 5.132 30 20 IKED COc1ccccc1N=C1SCCN1C(=O)c1csc(-c2cccc(Cl)c2)n1 743837984 OPXYLIDQFNMRGL-UHFFFAOYSA-N 429.954 5.349 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@@H](C)c3ccccc3C(F)(F)F)n2)cc1 744060850 CWEPZFUPDBZIIN-KDOFPFPSSA-N 444.478 6.208 30 20 IKED CCn1cc(CC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2ccccc21 748483128 QHKKJOKATCGTAF-INIZCTEOSA-N 427.451 5.709 30 20 IKED Cn1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1-c1ccc(F)cc1 750404422 REDUEBPNHYFPSG-OAHLLOKOSA-N 437.446 5.723 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)cc1 750990116 LTRWXARKXSSRNC-ZLNRFVROSA-N 431.561 5.524 30 20 IKED CC(=O)N(c1nc(CON=C(c2ccccc2)C(F)(F)F)cs1)c1ccccc1F 751962600 RESXQIDCAHYAEQ-UHFFFAOYSA-N 437.418 5.450 30 20 IKED COc1ccc(C(=O)CCCCC(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 760184238 QRXVFGPHSICCFP-LJQANCHMSA-N 447.318 5.093 30 20 IKED C=C(C)Cn1c(SCc2cccc(NC(=O)OC(C)(C)C)c2)nnc1-c1ccncc1 760316876 QVJYVSWLMQNOEX-UHFFFAOYSA-N 437.569 5.556 30 20 IKED N#CCOc1cccc(CC(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 760391498 DNERRAACZJTJJG-UHFFFAOYSA-N 425.315 5.344 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCCCC[C@@H]3C[C@@H](O)c3ccco3)c2)cc1 762985006 CCXPUSDSKSHFHB-ZJSXRUAMSA-N 430.504 5.452 30 20 IKED Cc1nc([C@@H](C)OC(=O)CCc2c(C)nc(O)c(C#N)c2C)oc1-c1ccc(Cl)cc1 763906849 CKZNCVWVDXSAKO-OAHLLOKOSA-N 439.899 5.130 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)c1nc2cc(C(F)(F)F)ccc2s1 766846214 JLMSAWQLKPWULT-GRYCIOLGSA-N 440.368 5.712 30 20 IKED COC1CCN(c2ccc(NCc3ccc(O[C@@H](C)C#N)cc3)cc2C(F)(F)F)CC1 770564105 JXTYWJVZWCFDAU-INIZCTEOSA-N 433.474 5.224 30 20 IKED CC[C@@H](C#N)Oc1cc(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1OC 771958104 DXHCCKFQZXEWID-KRWDZBQOSA-N 446.391 5.704 30 20 IKED C[C@H](CCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)NC(=O)OC(C)(C)C 774053578 JDMHJMYQMUFELH-CJNGLKHVSA-N 433.961 5.333 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\CCc3ccc(F)cc3C2=O)cs1 776192098 HZJCQVNONGOSNF-XNTDXEJSSA-N 426.900 5.833 30 20 IKED N#CCCn1cc(CNc2ccc(N3CCCCCCC3)c(F)c2)c(-c2ccncc2)n1 788524050 SZSNVJCPMVTPAC-UHFFFAOYSA-N 432.547 5.380 30 20 IKED C[C@H](OC(=O)c1cc(-c2cccc(C#N)c2)no1)c1nc2cc(C(F)(F)F)ccc2n1C 790965043 AYNGXZQCGWRCIZ-LBPRGKRZSA-N 440.381 5.037 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(SC(F)(F)F)cc1 795247760 YCZIVDAUIZNSJD-ZDUSSCGKSA-N 426.485 5.710 30 20 IKED CCCc1c(NCc2ccc(O[C@@H](C)C#N)cc2)cnn1-c1cc(F)c(OC)cc1F 795604733 AWYWEWNVDDWBIE-HNNXBMFYSA-N 426.467 5.015 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 796694620 XHYZMIDZESRGOQ-MRXNPFEDSA-N 425.485 5.581 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1cccc(Cl)c1Cl)[n+]1cc(O)cc(Cl)c1 802708127 DSNYAUHSJJFCKX-UHFFFAOYSA-O 430.764 5.017 30 20 IKED C#C[C@@H](NC(=O)CCc1ccccc1NC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 804423202 JADOFNRHYWGIAU-LJQANCHMSA-N 430.907 5.249 30 20 IKED COC(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 806230664 SQCCHDOYRMCSOF-UHFFFAOYSA-N 430.464 5.159 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2cc(F)c(C(F)(F)F)cc2F)c1C#N 808028589 LVTFFKQGSWWEOF-UHFFFAOYSA-N 438.381 5.015 30 20 IKED N#C[C@H](C(=O)[C@@H](c1c(F)cccc1Cl)N1CCCCC1)c1cc(C(F)(F)F)ccn1 813215251 VEECXECQIBRSPR-IFXJQAMLSA-N 439.840 5.296 30 20 IKED CC[C@@H](Cc1cccc(Br)c1)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813217589 NKKCAFVYDVANQF-BBRMVZONSA-N 425.248 5.308 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)C(C)(C)c2csc(-c3ccccc3F)n2)c1 815613045 DXMACMIAZOTPTE-QGZVFWFLSA-N 437.540 5.224 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2SCc2cscn2)cc1 915085652 OKVNQOWFWQKHTK-QHCPKHFHSA-N 441.581 6.343 30 20 IKED C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915102264 USFVVVDYPVOSOU-LIRRHRJNSA-N 433.920 5.155 30 20 IKED N#CCCn1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c(-c2ccccc2)n1 916140078 YTKBXKOVSSBXIG-UYRXBGFRSA-N 434.521 5.009 30 20 IKED CN(c1ccccc1)c1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1 916546545 XKGNDMWEHUITMI-UHFFFAOYSA-N 433.968 5.874 30 20 IKED CSc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1[N+](=O)[O-] 916906247 RSDBFCOJTDGVKK-KRWDZBQOSA-N 447.472 5.070 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3ccccc3n2Cc2ccccc2F)cc1 916911914 DGJSYIHUAYXPET-JOCHJYFZSA-N 439.490 5.352 30 20 IKED N#C[C@H](C(=O)/C=C\c1ccc2c(c1)OCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996136 KTQFTYDJYHADOU-SMHYXMNUSA-N 443.311 5.735 30 20 IKED C=CCc1ccc(OCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(OC)c1 917043773 OPELKKHZGHMGRK-HNNXBMFYSA-N 446.450 5.307 30 20 IKED COc1ccc(-c2nn(Cc3ccccc3)cc2C=NNc2ncccc2Cl)cc1OC 917549071 IBJHXTZOZKUVIL-UHFFFAOYSA-N 447.926 5.110 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(CC[C@H]2C[C@H]3CC[C@H]2C3)C2CC2)cc1 918466446 FCCOSEXQBVFMIB-RZOLNQLPSA-N 441.575 5.098 30 20 IKED N#CCOc1ccccc1C(=O)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1 919987146 RRIQWNKKDRKXNX-UHFFFAOYSA-N 439.540 5.602 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cccc(OCc2cccc(Cl)c2)c1 920110091 YLUODRJUWKMFMX-IBGZPJMESA-N 439.298 5.534 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)Cc4cc(F)ccc4Cl)CCC3)cc2)C1 1785804805 UHGOYSFGKDHSBI-UHFFFAOYSA-N 426.919 5.122 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ncccc34)CCC2)cc1 1786103039 HWWPYPZDNMLXQS-UHFFFAOYSA-N 428.536 5.079 30 20 IKED Cc1cncc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)c1 1787433254 IRNBULXQOYMPSB-IBGZPJMESA-N 438.531 5.079 30 20 IKED Cc1cccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)c1 1790706222 PBWOSFFYHDMNBQ-UHFFFAOYSA-N 437.543 5.052 30 20 IKED C[C@@H](C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1)c1cccs1 1790708618 KGYLWQBFPJWCNS-GOSISDBHSA-N 443.572 5.366 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@@H]4C4CC4)CCC3)cc2)c(Cl)c1 1790765820 GGCPXSUBGCYNAN-RTWAWAEBSA-N 433.939 5.005 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)C[C@@H](C)Oc3ccccc3)cc2)CCC1)C(F)(F)F 1791147109 QBADJDNXDQFPAP-MRXNPFEDSA-N 446.469 5.097 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)cc3)CCC2)cc1 1791586327 ZUCWBIYTQXREHI-UHFFFAOYSA-N 428.454 5.257 30 20 IKED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3[nH]c4c(Cl)cccc4c3C)C2)CC1 1810731343 BONOTKIQVZCCEH-KRWDZBQOSA-N 442.003 5.187 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc[nH]c3cc2F)n[nH]1 1820202295 GTPOROPEBDLHCX-VGSWGCGISA-N 449.530 5.104 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/C3CCCC3)n[nH]2)c1 1820902748 GEKPZVURMDZCAV-KKAUQULASA-N 445.567 5.089 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cccc(F)c4s3)CC2)C1 1823700172 HOCHZAHJCJTRRI-OAQYLSRUSA-N 440.584 5.240 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cccs2)CC1 1827078856 ZXXZLAJKPSRYFN-NEQMZLFVSA-N 428.642 5.373 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3cccnc23)CC1 1828827952 ADCIBTADJVOKDT-ZCYQVOJMSA-N 445.607 5.237 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccc(OC)cc2)C(C)C)nnc1-c1ccc(F)cc1 10534349 OPCNTZGIODEVSH-FQEVSTJZSA-N 440.544 5.034 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(C)c(F)c2)cc1 11083077 LDNOFDTWUGDTRJ-UHFFFAOYSA-O 435.588 6.042 30 20 IKED C=CCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1nc(-c2ccccc2)cs1 64869820 AUCWGTWAAMVCGO-UHFFFAOYSA-N 448.529 5.675 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 71853172 PYTNQUYTCFKABO-NRFANRHFSA-N 430.529 5.520 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 111893551 CMOAJOASZZKWFH-UHFFFAOYSA-N 449.491 5.340 30 20 IKED C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 252090275 HATXGHKGHGXROH-ZGNKEGEESA-N 443.934 5.842 30 20 IKED Cc1ccc(C)c(OCc2nnc(SCC(=O)c3cn(CCC#N)c4ccccc34)o2)c1 255937034 GULGTYNOKIMSDW-UHFFFAOYSA-N 446.532 5.109 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)nnc1-c1cccnc1 302986146 VFRRSJHVSBYNAI-QZTJIDSGSA-N 443.576 5.037 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 303542290 YRSLNHYIODYDOW-UXHICEINSA-N 437.421 5.815 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2cccc3[nH]ccc23)cc1Cl 426184126 QLBQFLAFSIKLRI-IBGZPJMESA-N 428.879 5.054 30 20 IKED Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 430528384 XVHVIBZKMOWCES-LBPRGKRZSA-N 440.208 5.861 30 20 IKED Cc1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)n(Cc2ccccn2)n1 430825966 FNAKPHUFDURDPR-UHFFFAOYSA-N 443.894 5.205 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)cc1F 437487306 YZKNQPOPSJRGLI-UHFFFAOYSA-N 440.434 5.669 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](C)Oc1cccc(Br)c1 438042783 RVOOOEVLZRMRCW-HUUCEWRRSA-N 448.386 5.290 30 20 IKED C=CCC[C@@H](NC(=O)N(C)CC(=O)Nc1c(C)cccc1C)c1ccc(C(F)(F)F)cc1 441530179 DHCILDXRNGHYDC-HXUWFJFHSA-N 447.501 5.610 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2cccc(CSc3cc(Cl)cc(Cl)c3)c2)n1 442600037 OMRLHFOZULVIIA-SFHVURJKSA-N 433.385 6.541 30 20 IKED CN(CC(C)(C)C)C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1 442682446 JLRZNLJAJODKJW-QGZVFWFLSA-N 438.478 5.040 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)C(=O)Nc2cc(C#N)ccc2Cl)cc1 447142977 UQOZMNQTWZKHSB-INIZCTEOSA-N 447.922 5.045 30 20 IKED C[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)c1nc(Cc2ccc(F)cc2)no1 447402956 MPAUCKJMAMSOMA-KRWDZBQOSA-N 428.467 5.423 30 20 IKED O=C(CN(CCC(F)(F)F)CC(F)(F)F)Nc1c(Cl)cccc1C(F)(F)F 447846734 BRJIWOBFNQTOEF-UHFFFAOYSA-N 430.698 5.114 30 20 IKED CN(C)CCCN(CCC#N)C(=O)Nc1ccc(-c2nc3cccc(Cl)c3s2)cc1 448150395 ZTEIYYGWADOLPD-UHFFFAOYSA-N 441.988 5.316 30 20 IKED CC(=O)N[C@@H](CC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1)c1ccc(C)cc1 460342573 IGZIMIHTPPWFFX-VWLOTQADSA-N 445.950 5.321 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCCC[C@H](SCC)C1 460953840 VYOFPTNDKYUWEQ-FKBYEOEOSA-N 426.630 5.211 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@](CO)(Cc3ccccc3)C2)cc1 463520533 CNJHWPHWKCXKDT-MHZLTWQESA-N 441.531 5.200 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2cccc(-c3cccnc3)c2)cc1C 463683014 KJKXHVWNPNBCIK-UHFFFAOYSA-N 435.531 5.073 30 20 IKED C[C@](C#N)(CCc1ccccc1)NC(=O)CCc1nc2cc(Br)ccc2s1 463771914 WXCLNUWZTAJCJT-OAQYLSRUSA-N 442.382 5.023 30 20 IKED CC(C)(C(=O)N[C@H](C#N)c1ccccc1Cl)c1csc(-c2cc(F)ccc2F)n1 464407509 RDBBJGKSXZSNHJ-QGZVFWFLSA-N 431.895 5.400 30 20 IKED C[C@H](NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1ccc(C#N)cc1 465670018 XRWHUWKAAUDHPF-FYSMJZIKSA-N 447.922 5.133 30 20 IKED Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 470266431 YWCDQHYVFBMRTF-CLJLJLNGSA-N 426.516 5.096 30 20 IKED CN(Cc1nccs1)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 473081660 OSNMXIQJLCTFBY-UHFFFAOYSA-N 432.427 5.490 30 20 IKED Cc1nc2ccccc2n1C1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 477451224 XKDPZRPLOVGSRO-UHFFFAOYSA-N 425.536 5.081 30 20 IKED COc1ccc(-c2nnc(SCCCOc3cccc(C#N)c3)n2Cc2ccco2)cc1 477539503 WHFZCDDPPYPZGQ-UHFFFAOYSA-N 446.532 5.028 30 20 IKED COc1ccc2ccccc2c1-c1cc(CNCc2cccc(OCCCC#N)c2)on1 478248201 AKYSNPXJBIFLBV-UHFFFAOYSA-N 427.504 5.476 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1ccccc1Oc1ccccc1C#N 480254583 AIXUQZFUBQHIKG-CQSZACIVSA-N 442.441 5.217 30 20 IKED Cn1cc([C@@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c2ccc(F)cc2)cn1 480588025 MUZGDSVOWMUOKK-DEOSSOPVSA-N 441.466 5.134 30 20 IKED CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481681777 GASMEYYSXQCUJP-UHFFFAOYSA-N 447.466 5.059 30 20 IKED O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 482215270 RBLJDZQSNJUHPJ-XHDPSFHLSA-N 437.359 5.129 30 20 IKED N#C[C@H](C(=O)c1cc(F)c(F)cc1C(=O)c1ccccc1)c1ccc(C(F)(F)F)cn1 483436620 GEOMZLOYTYZLQR-INIZCTEOSA-N 430.332 5.100 30 20 IKED CN1CC[C@@H](NC(=O)c2ccccc2Sc2ccccc2C#N)[C@H]1c1ccc(F)c(F)c1 485723999 QQHTXVIJDQEOHU-ZJSXRUAMSA-N 449.526 5.163 30 20 IKED C[C@@H]1CCCN(c2nnc(SCc3ccccc3C(C)(C)C#N)n2Cc2ccco2)C1 488605932 FBQBEIWDUIFFBO-GOSISDBHSA-N 435.597 5.249 30 20 IKED C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H]1OCCc2sccc21 494940726 UBSPNVIRZUZTAM-BXKMTCNYSA-N 447.560 5.217 30 20 IKED COc1ccc(-c2cc(NC(=O)N(CCC#N)Cc3ccco3)ccc2OC(F)F)cc1 495111972 NETDLCHBDCNWKG-UHFFFAOYSA-N 441.434 5.504 30 20 IKED C[C@H](c1ccncc1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 496327329 LJTSKDJEOAYMNS-CYBMUJFWSA-N 445.470 5.244 30 20 IKED N#CCCn1cc(CNCCSCc2cccc3ccccc23)c(-c2ccccc2)n1 500145407 SKORVELVGASSKZ-UHFFFAOYSA-N 426.589 5.640 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC(C2CCC2)C2CCC2)cc1Cl 508641815 ZNYFUZUDISMXOD-NRFANRHFSA-N 435.955 5.019 30 20 IKED C=CCSCCNC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 508909433 VTJMFUSCRLSAAY-AUPQCFOMSA-N 429.470 5.144 30 20 IKED CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 510551901 JZNOPZFZCSWWMK-KRWDZBQOSA-N 428.492 5.500 30 20 IKED CC(C)Oc1ccc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c(C(F)(F)F)c1 511393659 HHVSJCHHAUXSTC-UHFFFAOYSA-N 449.448 5.358 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@H]3c3ccc(Cl)cc3)c2)c1 511512461 KWYUXROBTAITPT-QHCPKHFHSA-N 444.922 5.833 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)NCc2ccnc(OCc3ccccc3)c2)c1 513540394 KMYRMZNHBGQIMI-UHFFFAOYSA-N 449.510 5.041 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)c3cccc(COc4ccccc4C#N)c3)CC2)cc1 513548311 UIIXCYQZPBLZKO-UHFFFAOYSA-N 438.527 5.181 30 20 IKED COc1ccc([C@@H](Cc2ccncc2)NC2CCC(Oc3ccccc3C#N)CC2)cc1 513713956 VXKWBZOFXQSOII-QDQFNNJSSA-N 427.548 5.225 30 20 IKED C=CCN(C(=O)C[C@@H]1CCO[C@H](C(C)C)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514155772 KUJMPXXUVARYPC-UZLBHIALSA-N 429.542 5.079 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)o1 515436623 ZXXLFNOTNHIOTD-UHFFFAOYSA-N 434.455 5.526 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cc3c(s2)CCCC3)cc1 515471566 NBPFQRRYVMAWCB-UHFFFAOYSA-N 431.561 5.594 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC2(c3ccc(Cl)cc3)CCOCC2)cc1 517377373 YVGAIWUNCMCNGI-UHFFFAOYSA-N 447.922 5.831 30 20 IKED N#CCCSc1ccccc1NC(=O)CSCc1ccc(Br)cc1F 517442882 IIYUGYYVRHWBCA-UHFFFAOYSA-N 439.375 5.466 30 20 IKED CCCN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[C@@H](C)C(=O)Nc1ccccc1 517657281 OEBXKGDVVYNINU-FQEVSTJZSA-N 441.531 5.424 30 20 IKED CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c(C)c1 519025765 VIEXNGASJTWLRK-LJQANCHMSA-N 441.531 5.226 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 520855415 LXOLVKICFIRVHM-RDTXWAMCSA-N 431.508 5.739 30 20 IKED C=CCN(C(=O)Nc1ccc(OC2CCCCC2)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 522602988 JQLYNSBNWYFLDN-IBGZPJMESA-N 446.555 5.155 30 20 IKED C[C@@H]1C/C(=C/c2ccco2)c2nc3ccccc3c(C(=O)Nc3ccn(CCC#N)n3)c2C1 522725476 OKWDCCRMNDFHKN-FXBHHXAOSA-N 437.503 5.313 30 20 IKED Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1 531973747 DSLJHEHLGHOOPT-JOCHJYFZSA-N 432.911 6.076 30 20 IKED C=C[C@H](CC(=O)Nc1ccc(Oc2ccccc2S(=O)(=O)CC)cc1)c1ccccc1 533954958 XJIQYGUFJMUBIG-LJQANCHMSA-N 435.545 5.571 30 20 IKED CN1CC[C@H](CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 534229071 CSSUBJQWSUORFC-IERDGZPVSA-N 428.939 5.095 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CN(CCC#N)CCC(C)C)cs1 535961757 AMEFNWPGPBJKKZ-UHFFFAOYSA-N 438.519 5.608 30 20 IKED C=CCN(C(=O)c1cc(C)n(C(CC)CC)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 537361608 BJQZWSFQZBMBTH-UHFFFAOYSA-N 439.541 5.417 30 20 IKED C[C@H](NCC(=O)Nc1ccccc1Br)c1ccc(-c2cccc(C#N)c2)cc1 543873739 FRPXSLBDUGJHMJ-INIZCTEOSA-N 434.337 5.277 30 20 IKED CCCc1c(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cnn1-c1cc(F)c(OC)cc1F 544204601 QVMYEZFCXRPGAO-CYBMUJFWSA-N 444.507 5.182 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)c2ccccc2NCCc2ccc(Cl)cc2)CC1 548830810 YBKILBLXAIAFHN-UHFFFAOYSA-N 444.966 5.087 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3F)s2)nnc1-c1ccc(C)cc1 551448435 KOQOHZOQQVDBQQ-HNNXBMFYSA-N 437.569 5.950 30 20 IKED C=CCN(C(=O)c1ccnc2c1ncn2C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 583284714 OUMLEPFDHUESAZ-UHFFFAOYSA-N 444.347 5.231 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2nnc(C3CCOCC3)s2)c1 584370932 KWANGGXATHHRGB-UHFFFAOYSA-N 440.912 5.002 30 20 IKED CCO[C@@H](c1noc([C@H](C)Oc2ccc(C#N)cc2)n1)c1ccc(F)cc1C(F)(F)F 589155410 VVUPBFJICNTNJE-KPZWWZAWSA-N 435.377 5.365 30 20 IKED Cc1cccc(Cc2cnc(NC(=O)c3c(Cl)cc(C#N)cc3Cl)s2)c1Cl 589959982 DDHDVXWUSYOHPF-UHFFFAOYSA-N 436.751 6.127 30 20 IKED Cc1nc(C(=O)N2C[C@@H](c3ccccc3Cl)c3c([nH]c4ccccc34)[C@H]2C)ccc1C#N 603568377 LEHVKIUTWOACBI-UZLBHIALSA-N 440.934 5.745 30 20 IKED Cc1cc(Br)ccc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 603924045 XJNIPBRBOKVHCF-UHFFFAOYSA-N 435.321 5.655 30 20 IKED O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2F)CC1 604099268 DSAHHJXVANENFI-UHFFFAOYSA-N 448.338 5.389 30 20 IKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604522882 PNBOJPIRMFTYOK-BWKNWUBXSA-N 442.519 5.377 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2Oc2cccnc2)cc1Cl 604523247 NKKZQCJNSFCGIS-HSZRJFAPSA-N 439.902 6.435 30 20 IKED CC[C@H](NC(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1nc(C(F)(F)F)cs1 608770117 WDSFUNDGPFCDAH-JTQLQIEISA-N 447.351 6.089 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609079316 VVZRZHRVHOFRNT-UHFFFAOYSA-N 441.531 5.674 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CCc1nc(-c2ccsc2)no1 609151752 DIXGURAJYUVPKS-UHFFFAOYSA-N 448.935 5.489 30 20 IKED Cc1ccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c(OCc2ccccc2)c1 609421149 RWYZPKXADWBHNA-UHFFFAOYSA-N 441.531 5.240 30 20 IKED COc1cc(C#N)ccc1OCC(=O)N(Cc1ccc(-c2ccccc2OC)cc1)C(C)C 610188990 GJPCJCWWARHYCH-UHFFFAOYSA-N 444.531 5.058 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC 612941812 ZTPQYSBXYWNONN-QGZVFWFLSA-N 440.952 6.059 30 20 IKED N#CC(CCN1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)(c1ccccc1)c1ccccc1 618283311 MICMKLXOFKHCIQ-OALUTQOASA-N 426.404 5.559 30 20 IKED CCOc1ccc(C(F)(F)F)cc1NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674561722 XXJNIDINHSJOEJ-AOOOYVTPSA-N 438.290 5.309 30 20 IKED COc1ccc(F)cc1NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 678233671 PRULTUVZMVMOLF-UHFFFAOYSA-N 447.310 5.310 30 20 IKED CC(C)Oc1ncc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1Cl 678324635 QQKTZCSSOVKXMU-GFCCVEGCSA-N 439.846 5.641 30 20 IKED C=CCn1c(S[C@@H](CC)C(=O)Nc2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1 684190872 RATQNPZETOPCPU-IBGZPJMESA-N 442.972 5.303 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N(C)[C@H]1CCCc2c1cnn2C 685540120 MFFCXCHNVOGKHW-MBSDFSHPSA-N 442.567 5.005 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccccc3C(F)(F)F)n2)cc1 727232902 ALUWFBGTHMQJGV-HOCLYGCPSA-N 430.451 5.781 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 727948790 GDIVFUJMYVHRGV-UHFFFAOYSA-N 425.554 5.166 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728186911 NDOBMBLJWAVWLO-UHFFFAOYSA-N 440.434 5.092 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3nc4cc(Cl)ccc4s3)n2)cc1 730687195 LPVHDFVDTLFEHJ-MRXNPFEDSA-N 437.977 6.191 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 730921479 ZELSQACHBADKQE-DSITVLBTSA-N 446.506 6.083 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)c1 733769992 ASIFIZLYUFUSTB-MRXNPFEDSA-N 447.482 5.245 30 20 IKED Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740437109 KAROMUGNEBURNB-UHFFFAOYSA-N 430.533 5.265 30 20 IKED Cc1csc(-c2cccc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c2)n1 740536925 ZOSMZYWHPQILBP-KRWDZBQOSA-N 430.316 5.387 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl 741913459 JBFCOZGARJQVIL-UHFFFAOYSA-N 448.954 5.464 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)c2csc(-c3ccccn3)n2)c1 741970165 WLCJFVBOEZEADN-UHFFFAOYSA-N 430.920 5.577 30 20 IKED CN(CCC#N)c1ccc(CN[C@@H](c2cc(F)ccc2F)c2ccccc2Cl)cc1 742379096 QJEDYQRKZBJJCO-XMMPIXPASA-N 425.910 5.847 30 20 IKED Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cc1NC(=O)OC(C)(C)C 742560464 DSMFLKVQPAMRCO-UHFFFAOYSA-N 447.457 5.418 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(F)F)cc3)SC2=S)cc1Cl 743281864 GSOBLRCGMYTAQC-APSNUPSMSA-N 436.892 5.261 30 20 IKED CS(=O)(=O)c1ccc(NN=C(CCSc2ccccc2)c2ccc(F)cc2)cc1 746489603 DXZHAECGKQGDSX-UHFFFAOYSA-N 428.554 5.228 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc(NC(C)=O)cc1)C(=O)c1ccccc1 747150296 NSFNKRBXRMITTJ-BWAHOGKJSA-N 440.543 5.675 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)n1 747197649 LHNAWZLVWGJEJW-KVSKMBFKSA-N 427.570 5.345 30 20 IKED N#Cc1ccc(Oc2ccc(OC(=O)C3CCC(NC(=O)C4CCCC4)CC3)cc2)cc1 748687688 DJWCRUJDMKMJCU-UHFFFAOYSA-N 432.520 5.121 30 20 IKED O=C(/C=C\c1ccc(Br)s1)c1ccc(S(=O)(=O)C2CCCC2)cc1 749005287 JTJZXEWXOJUZSN-XFFZJAGNSA-N 425.369 5.123 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1 752680618 YMGXSOBSDVCJBD-GHTZIAJQSA-N 435.549 5.442 30 20 IKED C/C(=C\C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1OC(F)F 753396965 WWQUCPSPIKVSSQ-RFKZRZAASA-N 439.245 5.346 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)c(Br)c1 753533874 POHIAFOIHHZBFS-SNVBAGLBSA-N 446.515 5.370 30 20 IKED C#CCOc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)c1 758606486 PQZRMFMZOIMBLM-UHFFFAOYSA-N 439.437 5.347 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)[C@@H](Oc1cc(Cl)ccc1Cl)c1ccccc1 760786590 VMYNULXURILSAD-NRFANRHFSA-N 445.277 5.794 30 20 IKED CC(=O)N(c1nc(/C=C2\CCc3ccc(Cl)cc3C2=O)cs1)c1ccc(F)cc1F 761206014 MTSCVHDZABPYML-RIYZIHGNSA-N 444.890 5.972 30 20 IKED CC(=O)Nc1cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c(F)cc1F 761394543 YVNIEXJORSXKGK-UHFFFAOYSA-N 441.821 5.493 30 20 IKED N#C[C@@H](C(=O)CN1CCC(c2ccccc2C(F)(F)F)CC1)c1nc2ccccc2s1 761966962 ZKXWVERARPHLKH-KRWDZBQOSA-N 443.494 5.371 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN2CCC(c3c(C)[nH]c4ccccc34)CC2)c1=S 764923280 VPTGMEFYJBGYGQ-UHFFFAOYSA-N 444.608 5.289 30 20 IKED CCN(C(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)[C@H](C)c1ccc(C#N)cc1 765037027 IQUUHESQICFKQD-RBUKOAKNSA-N 427.589 5.141 30 20 IKED CCCOc1ccc2[nH]cc(C=Nn3cnc4sc(C)c(-c5ccccc5)c4c3=O)c2c1 768349811 OIWKASHDGZDBGI-UHFFFAOYSA-N 442.544 5.586 30 20 IKED COCCOc1c(Cl)cc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)cc1Cl 773903138 OWHYQAWZOMOQTO-UHFFFAOYSA-N 434.106 5.449 30 20 IKED O=C(O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccc(-c2cncnc2)cc1F 774131923 SVKYHEMZLLUDBD-KRWDZBQOSA-N 444.306 5.762 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3NCc3cccnc3)n2)cc1 776084669 SJRAQRADQBZPFA-NRFANRHFSA-N 440.528 5.316 30 20 IKED CC(C)N1C(=O)C[C@H](C(=O)[C@@H](C#N)c2ccc3ccccc3n2)[C@H]1c1ccc(Cl)c(F)c1 776506564 JTWYNYSNIQODDD-LLJLJFOGSA-N 449.913 5.202 30 20 IKED C=CC[C@H](OC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)c1ccccc1 778740371 YMWNNUARRZDXRI-NRFANRHFSA-N 442.353 5.162 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1 780161490 FAWHRVMQLAASPK-IVZQSRNASA-N 441.314 6.043 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 780673286 QISNFABJKWHQOL-SFHVURJKSA-N 428.467 5.223 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@H]1CCc2cc(C#N)ccc21 787328021 WUZYKVFBXAFUQC-GOTSBHOMSA-N 446.551 5.269 30 20 IKED C[C@H](OC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1ccccc1NC(=O)c1ccccc1 796921072 TWWIKDVKFUSHFL-KRWDZBQOSA-N 430.479 5.532 30 20 IKED N#C[C@H](C(=O)C1(c2ccc(Br)cc2)CCCC1)c1cc(C(F)(F)F)ccn1 813211779 QASPICZAERYGND-INIZCTEOSA-N 437.259 5.551 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1 915087069 PUSBYAHBVVPASP-QHCPKHFHSA-N 437.524 5.908 30 20 IKED C[C@@H](NC(=O)c1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103116 OXYOETHTDOVDHZ-MLGOLLRUSA-N 444.343 5.112 30 20 IKED N#C[C@@H](C(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103578 YKLBDIGLRKCSNH-YJBOKZPZSA-N 443.311 5.075 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1 915351972 FBIPZSCCQNFTLX-NOZRDPDXSA-N 441.531 6.454 30 20 IKED COc1ccc(-c2csc3ncnc(NN=C(C)c4ccc(OC)cc4OC)c23)cc1 916357176 CTRONWUGVSWUES-UHFFFAOYSA-N 434.521 5.220 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)c1 916896775 CULOUDOGJXZMDX-KRWDZBQOSA-N 443.450 5.407 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(C)n(-c2cccc(C)c2)c1C 916898289 AQOQTFLEYKUNFV-XMMPIXPASA-N 427.548 5.489 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc(-c2ccc(F)cc2)nc1C 916904128 XAAMXQHJSQBLQO-LJQANCHMSA-N 435.524 5.344 30 20 IKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)oc2ccc(F)cc12 916904454 DDELIRIFISMXEO-LJQANCHMSA-N 428.419 5.634 30 20 IKED C[C@H]1CCc2c(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)csc2C1 916905859 PTRZOWDCWANBLF-LPHOPBHVSA-N 430.529 5.626 30 20 IKED COc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 920364236 AANGEXLCHIVOTL-UHFFFAOYSA-N 444.438 5.403 30 20 IKED CC(C)(C)c1ncc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)s1 920370186 FCCZIFSRQMYOSS-UHFFFAOYSA-N 442.397 5.089 30 20 IKED CCOc1ccc(/C=C/C(=O)c2cnc3sc(C(=O)OC)c(C)c3c2)cc1OCC 920991462 JMALHGFGHBRLPH-VQHVLOKHSA-N 425.506 5.085 30 20 IKED C[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)c[nH]3)CCC2)cc1)c1ccc(Cl)cc1 1785989210 XDWHTLFMOYMCLJ-MRXNPFEDSA-N 446.938 5.091 30 20 IKED O=C(C#CC1CC1)NC1(c2ccc(NC(=O)c3cc4c(Cl)cncc4s3)cc2)CCC1 1788312403 DZGDASJPVCKHSP-UHFFFAOYSA-N 449.963 5.111 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4nccnc4c3)CCC2)cc1 1789454338 VXAPLLJWJSLVOQ-JOCHJYFZSA-N 440.547 5.146 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(Cl)ccnc4c3)CCC2)cc1 1792267043 IJAXTEADBLZBEB-UHFFFAOYSA-N 431.923 5.049 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2ccccc2C)[C@@H]1c1cccnc1 1802501382 MUORAHCWIAXALP-AZGAKELHSA-N 447.623 5.021 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)c2ccc(C)cc2)[C@H]1c1cccnc1 1812753899 WQRDPBXWMBEJQR-FTBPSBKWSA-N 447.623 5.192 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C(C)=C/c2cccs2)[nH]n1 1814823873 AYUYSIQUFLFWDU-RLHAVTDZSA-N 438.597 5.335 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2Oc2ccccc2)n[nH]1 1820438035 VGWOLNOVKUUPLY-OAQYLSRUSA-N 430.508 5.084 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sccc2OCC)CC1 1823646662 IYURWIWNXFCUCL-SFTDATJTSA-N 444.641 5.149 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)c(F)c2)CC1 1824143123 HUBQUEGGAMVRPI-XMMPIXPASA-N 426.576 5.136 30 20 IKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCCC(C)(C)C)CC1 1824511751 QKXIWFJOQQHEPQ-JTHBVZDNSA-N 434.665 5.194 30 20 IKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCCC(C)(C)C)CC1 1824960338 KCAQBQCIVRSPDF-JOCHJYFZSA-N 436.706 5.522 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc(C(F)F)c2)CC1 1828821673 PKUMSOPODNVTDQ-IFMALSPDSA-N 445.554 5.021 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(OC)c2)CC1 1828827709 SMORPBRCQVDBKB-RPBOFIJWSA-N 438.612 5.005 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)CC1 1830189296 SKIGTICTVWGMTR-RUZDIDTESA-N 449.639 5.323 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)C1 1844635663 KYTZKJJJHOHFFO-UHFFFAOYSA-N 445.563 5.237 30 20 IKED COc1ccc(Br)cc1-c1nc(CSc2nc(C)cc(C)c2C#N)cs1 10267267 JRCVNEHBVLMLPY-UHFFFAOYSA-N 446.395 5.757 30 20 IKED N#Cc1ccc(CN2CCCN(C(=O)c3cc(-c4ccccc4)nc4ccccc34)CC2)cc1 10707715 DLRWYZFVGMPWTE-UHFFFAOYSA-N 446.554 5.122 30 20 IKED Cc1cccc(C)c1/N=C1/NC(=O)/C(=C/c2c(C)nn(Cc3ccccc3)c2Cl)S1 16440398 GPDZNMDPVCHIEC-UNOMPAQXSA-N 436.968 5.402 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1ccccc1 16823219 NQVNMBDTLGBIDC-OAHLLOKOSA-N 442.972 5.221 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc3c(c2)CCCC3)c(C)[nH]1 23604068 VEKGHUUDWXZSLA-UHFFFAOYSA-O 439.004 5.502 30 20 IKED N#Cc1ccc(NC(=O)CCc2ncc(-c3ccccc3Br)o2)cc1Cl 195602365 PAGPOFKJYPMYJR-UHFFFAOYSA-N 430.689 5.200 30 20 IKED CC(C)[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1nc(-c2ccncc2)no1 236755995 DXRQVXZPFVSFTC-XMMPIXPASA-N 439.519 5.069 30 20 IKED CC[C@@H](C#N)Oc1cc(CNc2ccnc3c(Br)cccc23)ccc1OC 301299814 WXHUWXXTOPPWQC-HNNXBMFYSA-N 426.314 5.299 30 20 IKED COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1 303573498 CCZIZTSZAYENNM-RUZDIDTESA-N 442.515 5.132 30 20 IKED Cc1ccc(Cc2sc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)nc2C)cc1 428232657 VJQQGCNPOAEJOR-UHFFFAOYSA-N 441.560 5.380 30 20 IKED N#CCCC[C@H](NCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccccc1 433028763 PXVUEFXQYMMTCQ-IBGZPJMESA-N 426.492 5.052 30 20 IKED N#CCCCOc1cccc(NC(=O)C(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)c1 433875854 ANNDAXZMGRBPJN-QFIPXVFZSA-N 439.943 5.009 30 20 IKED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C 437520880 ZFZGPTFFQNYOCD-VGOFRKELSA-N 438.597 5.069 30 20 IKED Cc1ccc(CCN(Cc2ccco2)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 438037935 AZBDRSJNNQPLCI-FQEVSTJZSA-N 433.577 6.259 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCCc3ccn(-c4ccc(F)cc4)n3)cc2)cc1 438221974 BVDMKIHDXKMTOO-UHFFFAOYSA-N 441.466 5.040 30 20 IKED N#CC1(CCCNc2ccc(Oc3cccc(F)c3)c(Br)c2)CCOCC1 442128414 VXTDZDWFOUHZTF-UHFFFAOYSA-N 433.321 5.893 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccc(OCC(=O)N(C)C)cc1)c1ccc(C(F)(F)F)cc1 442224650 RBSJBIANRGWFHL-HXUWFJFHSA-N 449.473 5.001 30 20 IKED Cc1cccc(CN(Cc2ccccn2)C(=O)Nc2ccccc2S[C@H](C)CC#N)c1 443910099 QHSCXXULZYWKIG-HXUWFJFHSA-N 430.577 6.019 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N(Cc3ccccc3)CC(F)F)c2)c1 444641630 PWOCDAMVKGDHAS-UHFFFAOYSA-N 434.446 5.110 30 20 IKED CCOC(=O)c1csc([C@@H]2CCCN2CCC(C#N)(c2ccccc2)c2ccccc2)n1 444712794 XDHXMQGRKDHLAI-QHCPKHFHSA-N 445.588 5.357 30 20 IKED CSc1cccc([C@@H](NC(=O)[C@@H](C)Oc2ccccc2C#N)c2ccc(F)c(F)c2)c1 464114145 KEZHKCCOVGKENZ-IQMFZBJNSA-N 438.499 5.231 30 20 IKED C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 467918706 HDUBQVZCOZXLOK-WPRPVWTQSA-N 438.290 5.451 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)c1ccnn1CC(F)F 469046185 NMKRLQQDYRWPBV-UHFFFAOYSA-N 433.324 5.074 30 20 IKED CCC(=O)Nc1ccc(Cl)c(NCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)c1 470548820 YLQONBCLIHSYEA-UHFFFAOYSA-N 433.339 5.009 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cncc(-c2ccc(N(C)C)cc2)c1 471468808 ZGFJLMBOKHKXFC-UHFFFAOYSA-N 449.514 5.434 30 20 IKED COCCOc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(Cl)c1 471782168 RJVMAVGZDZPNFK-UHFFFAOYSA-N 436.895 5.068 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C2(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CCC2)cc1 474181029 ZYDBYXYCIZCYJC-UHFFFAOYSA-N 428.536 5.036 30 20 IKED COc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1cccc(C#Cc2ccccn2)c1 474582363 CEZXBDVRCYQHPX-UHFFFAOYSA-N 443.890 5.359 30 20 IKED CC(=O)Nc1cc(O[C@H](C)c2cccc(C#N)c2)c(Br)cc1Br 478824594 VGKRAHYKZHXSJM-SNVBAGLBSA-N 438.119 5.182 30 20 IKED CN(CCCc1nc2ccccc2[nH]1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 479583159 WOIGFLDTCJFNJQ-UHFFFAOYSA-N 426.545 5.291 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ncoc1-c1ccccc1 479723163 TXGCGCSMLYGCHN-UHFFFAOYSA-N 444.304 5.141 30 20 IKED C=C(C)Cn1c(SCC(=O)N(Cc2ccc(Cl)cc2)C2CC2)nnc1-c1ccco1 480118353 VJUZGPLKRQLNRP-UHFFFAOYSA-N 442.972 5.051 30 20 IKED C=C(C)Cn1c(SCC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)nnc1-c1ccco1 480121941 RCKWBEMTXWQFIJ-SFHVURJKSA-N 442.972 5.223 30 20 IKED C=C(C)Cn1c(S[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccncc1 481370203 KJRTUCMBIVMARG-CQSZACIVSA-N 447.486 5.054 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)c2)cc1 482055809 WOSHKMXBSDOQHJ-UHFFFAOYSA-N 425.488 5.229 30 20 IKED COCc1cc(CNC(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)ccc1F 482377465 PDUKLDQLRQIVQK-MRXNPFEDSA-N 438.343 5.094 30 20 IKED N#CCC[C@@H](NC(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccccc1 482427555 XGSKEFCNCVKKRH-WBVHZDCISA-N 427.373 5.236 30 20 IKED CC(C)CN(C(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCCc2cccnc21 482656838 FHUFTZLUXZGHEG-NRFANRHFSA-N 429.486 5.197 30 20 IKED CC(C)(C)n1cc(C(=O)[C@H](C#N)c2cnc3ccccc3n2)c(-c2ccccc2Cl)n1 483228097 KZJQGXIHVMTABZ-MRXNPFEDSA-N 429.911 5.392 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccc(-c2nc(C(=O)OC)cs2)c1 484648959 FJVSPSFJRAXBLH-UHFFFAOYSA-N 449.576 5.770 30 20 IKED C=CCN(C(=O)c1coc(C2CCCCC2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 485749745 MCCSXMXRDPGQOU-UHFFFAOYSA-N 438.509 5.587 30 20 IKED Cc1ccc(-n2cnc3c2CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)C3)cc1 486933155 FEXCILUXHJVRNS-GOSISDBHSA-N 431.565 5.165 30 20 IKED Cc1cc(NC(=O)c2ccc(COc3ccccc3C#N)o2)ccc1NC(=O)c1ccco1 490161373 OCTYYIHFPDNPHC-UHFFFAOYSA-N 441.443 5.136 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccc(Cl)cc2Cl)cc1C 493345542 SNRRXJDUWBZWJJ-UHFFFAOYSA-N 427.335 5.317 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1ccccc1-c1c(F)cccc1F)c1ccccc1 494494227 LFHKRWQAVLBXEU-UHFFFAOYSA-N 433.458 5.297 30 20 IKED COc1ccccc1OC[C@H](C)CNC(=O)c1ccccc1SCc1ccc(C#N)cc1 496259623 BKBSBMLKHLOKFR-LJQANCHMSA-N 446.572 5.304 30 20 IKED C[C@H]1CC2(CCC2)CN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 496381960 UVJOVQVDMZEFTP-ZDUSSCGKSA-N 434.487 5.421 30 20 IKED CCN(C(=O)CCCCOc1cccc(C#N)c1)[C@@H](c1cccnc1)c1ccc(F)cc1F 496596875 ZXGMMHXITOKDTB-SANMLTNESA-N 449.501 5.419 30 20 IKED COc1cc(Br)ccc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 501359325 HYBRORTTXNQQCN-GFCCVEGCSA-N 449.276 5.349 30 20 IKED Cc1c(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)sc2ccc(C#N)cc12 501654500 HOQMKDQJAOFCPR-HNNXBMFYSA-N 426.925 5.402 30 20 IKED C=CCN(C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)c1nc(C(=O)OCC)cs1 501912432 IRCLTXXIOXFZOG-CYBMUJFWSA-N 426.460 5.051 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 502279631 VMPBTMWVRQXLTC-GOSISDBHSA-N 428.561 5.550 30 20 IKED CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccccc1SCCC#N 503252784 LMHBSAOOBNGQRW-FQEVSTJZSA-N 429.973 5.140 30 20 IKED CCCN(CCC)C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c1 503584388 FIXCUJNRBISRAU-JOCHJYFZSA-N 445.588 5.871 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cscc2Br)cc1Cl 506476777 JREDXXWVYGATKM-HNNXBMFYSA-N 431.742 6.072 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1ccc(OC(F)F)cc1 510904759 LLQAUXGNZTWTKT-UHFFFAOYSA-N 437.446 5.924 30 20 IKED C[C@@H]1CCCCN1CCCCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511413999 JLGVTLGQXNLEPX-OAQYLSRUSA-N 434.584 5.108 30 20 IKED COc1ccc(CCCNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 515794979 AEGCABAMHQBLJR-UHFFFAOYSA-N 429.520 5.095 30 20 IKED Cc1ccc(C)c2c(C)c(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)oc12 516267317 ZMKDHFVNCVXZSU-OAHLLOKOSA-N 431.517 5.437 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccccc4)c3C(C)C)n2)cc1 516269994 IMZCLNLGSMCLIX-FQEVSTJZSA-N 442.544 5.618 30 20 IKED Cc1c(Cl)cccc1NC(=O)CCNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 517903704 UPSRREKITVRMTH-UHFFFAOYSA-N 448.910 5.463 30 20 IKED Cn1ccnc1SCc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)o1 519033235 PQGIWKQXPJELSY-UHFFFAOYSA-N 430.489 5.222 30 20 IKED Cc1cc(C)c(NC(=O)CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(C)c1 520599256 KADKXZKHFVIJJT-UHFFFAOYSA-N 428.492 5.036 30 20 IKED C=CCN(Cc1ccccc1)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 521196969 XLFSGQKXUBTNDF-UHFFFAOYSA-N 432.486 5.151 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 521741256 ABKVCVZQYXWVOM-JTSKRJEESA-N 446.576 5.112 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(OCCc3ccccc3)CC2)cc1 523982561 CUESSRUKTIOFDU-UHFFFAOYSA-N 441.531 5.606 30 20 IKED N#Cc1cccnc1OC1CCC(NC(=O)Nc2ccccc2COc2ccccc2)CC1 527332817 QYNJOGLDLDSYOL-UHFFFAOYSA-N 442.519 5.044 30 20 IKED Cc1nc(O)c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1-c1ccccc1 530698643 CNQINTFDEXUXBX-UHFFFAOYSA-N 448.482 5.139 30 20 IKED C[C@H](NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1ccc(OCc2cccnc2)cc1 531230067 IMFLDTYKECMWHN-YMSRPXOMSA-N 440.547 5.203 30 20 IKED C[C@@H](CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nc(-c2ccccc2)no1 534090598 VFPAAIXTRZVTFC-KRWDZBQOSA-N 439.475 5.326 30 20 IKED CC[C@@H](C)n1ncc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1C1CC1 534231744 AEFDNJWVIDLRMZ-MRXNPFEDSA-N 447.514 5.965 30 20 IKED Cc1oc(NC(=O)CN[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)c(C#N)c1C 537224217 KYXXYCJTMVTQJW-GOSISDBHSA-N 425.838 5.120 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cccc(NC(=O)c2ccccc2Cl)c1 537622077 OEWXUSHBKVGVSQ-UKILVPOCSA-N 429.951 5.864 30 20 IKED O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)[C@H]1CCC[C@H](C(F)(F)F)C1 537688729 VFZCDOJPOPDHBA-IUCAKERBSA-N 429.311 5.524 30 20 IKED COc1cc(C#N)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 546003958 BXURZSFUYXZLTL-UHFFFAOYSA-N 439.880 5.532 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F 553319849 FUIKCLZXHGEROX-JXFKEZNVSA-N 447.526 6.859 30 20 IKED N#CCc1cccc(Br)c1OCc1nnc(-c2ccc(Cl)cc2Cl)o1 555956272 ILBYTOWVDQCHDE-UHFFFAOYSA-N 439.096 5.451 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 556463380 WAJUNUWXJGASQU-RBBKRZOGSA-N 425.960 5.094 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 557587383 ATMRUQMNIUOUEF-UHFFFAOYSA-N 432.545 5.154 30 20 IKED COC(=O)C[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc2ccccc12 558342901 FNBLXOGHHXSKAH-VGOFRKELSA-N 447.560 5.660 30 20 IKED C[C@@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 558592202 HJZMLDCOWOCKBK-CQSZACIVSA-N 426.398 5.203 30 20 IKED O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@@H](c2ccccc2OC(F)F)C(F)(F)F)c1 559147914 KYXVFVKZPTWCIJ-AWEZNQCLSA-N 444.278 5.608 30 20 IKED CSCC[C@@](C)(C#N)NC(=O)c1oc2ccccc2c1CSc1ccc(F)cc1 563770241 LRHOSNKTONGDNX-QFIPXVFZSA-N 428.554 5.629 30 20 IKED C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(NC(=O)CC2CCCC2)CC1 582713422 IIMHBQKBWKJKGT-DEOSSOPVSA-N 449.643 5.061 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(C(=O)Nc4ccccc4)c3)cn2)c1 586123304 XPHVEXLBUOMIRZ-UHFFFAOYSA-N 434.455 5.250 30 20 IKED C[C@@H]1C[C@H]1c1ccc(CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C2CC2)o1 603648256 DUFJMVPEZHBFQK-QVKFZJNVSA-N 432.549 5.518 30 20 IKED Cc1cccc([C@H](CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)NC(N)=O)c1 603758983 QPDRMUFRWBBHBQ-GGAORHGYSA-N 446.938 5.042 30 20 IKED COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1sc(C)c(C)c1C#N 603947220 NXCVZVFYERHSLY-UHFFFAOYSA-N 426.519 5.161 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2csc(Cc3ccccc3)n2)cc1 604003183 IUCGVOFMUDPSDU-UHFFFAOYSA-N 439.540 5.631 30 20 IKED CCN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@@H](C)c1ccc(F)cc1 604464348 RXAGYDMVJOVXKF-KRWDZBQOSA-N 431.467 5.038 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 606771323 DREDKHYWSQMRKA-VXGBXAGGSA-N 449.313 5.473 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(C(=O)N2CCCC2)c1C 606775299 XBMDWDJYXTULNW-UHFFFAOYSA-N 432.442 5.067 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)C1CCN(Cc2ccccc2)CC1 606781433 LYHANISIIMAEEF-UHFFFAOYSA-N 432.486 5.007 30 20 IKED Cc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C)n1CC(F)(F)F 609164418 NROVVOHDPCEYFX-HXUWFJFHSA-N 445.872 6.228 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609208738 IKPZLDLJMKMPNP-UHFFFAOYSA-N 437.503 5.475 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccccc2OCC(F)(F)F)cc1 609297202 QOYKYWJCXACCQS-UHFFFAOYSA-N 430.357 5.683 30 20 IKED Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc12 609377159 PHGHCDXFWQVLLO-MRXNPFEDSA-N 446.601 5.959 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609427402 OJJWJZVCGNIZJC-UHFFFAOYSA-N 443.484 5.818 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)c1 609529510 SLUOZNSKONJPBS-UHFFFAOYSA-N 443.478 5.370 30 20 IKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 609660970 XZMXGDRBOGITQZ-VPUSJEBWSA-N 440.543 5.377 30 20 IKED Cc1cccnc1[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C(C)C 609682872 XMBDEKKNHLEXJF-GGAORHGYSA-N 432.955 6.218 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1 609722901 NUQLCVATGKRKQE-UHFFFAOYSA-N 431.879 5.605 30 20 IKED Cc1cccc([C@@H]2CCCCCN2C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 609813304 WFYZYGMIJBCMFH-UGKGYDQZSA-N 435.593 5.472 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(OCC3CCOCC3)cc2)cc1 609908619 KDPFPXFMUSASIK-UHFFFAOYSA-N 442.515 5.195 30 20 IKED Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N(CCC#N)CC(C)(C)C)c12 609970885 OZHXQDRBLMQRLH-UHFFFAOYSA-N 444.457 5.619 30 20 IKED CCCCCn1nc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c2ccccc2c1=O 613392697 YLEPLYFVRUOKFE-FQEVSTJZSA-N 442.544 5.200 30 20 IKED N#C[C@@H](C(=O)c1nc(-c2ccccc2)n2c1CCCCC2)c1nc2ccccc2n1C(F)F 613401525 BGXDZMBUXYQNIR-KRWDZBQOSA-N 445.473 5.511 30 20 IKED Cc1cccc(C(=O)Nc2ccccc2C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c1 613401677 KWGODSFGIBPMJG-SFHVURJKSA-N 444.441 5.482 30 20 IKED O=C(CSc1cccc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618297547 KKDCYZIDPVYGPI-PHIMTYICSA-N 439.343 5.387 30 20 IKED CC[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccccc1OC(F)F 618554275 JIVPUNDDGZTOBL-GVXVVHGQSA-N 448.354 5.511 30 20 IKED O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1c([N+](=O)[O-])cccc1C(F)(F)F 619219301 XZTRWWMJEVOKGQ-UHFFFAOYSA-N 428.235 5.520 30 20 IKED Fc1ccccc1-c1nnc2ccc(N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)nn12 619535825 JSUNOFGVUFZILL-GDNZZTSVSA-N 447.358 5.252 30 20 IKED CCc1nc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2nc1CC 619756483 AVMJKGQSJCTUKT-GOSISDBHSA-N 437.528 5.240 30 20 IKED C=C(CNC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1)c1ccccc1 685215227 APIPTGDLOGXIHF-UHFFFAOYSA-N 427.544 5.143 30 20 IKED COC1CCN(c2ccc(N=Cc3cc4ccccc4nc3O)cc2C(F)(F)F)CC1 727973404 ZQXKRJKTYCKYIS-UHFFFAOYSA-N 429.442 5.325 30 20 IKED Cc1cc(C)c(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(Cl)c1 728063165 YBVBDBIPPGAGEK-LJQANCHMSA-N 447.966 6.155 30 20 IKED C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(-c2ccco2)nn(CN(CCC#N)CC2CC2)c1=S 728904459 GJZFQFJSFKUCRP-GTAWCEEGSA-N 425.602 5.254 30 20 IKED N#CCCN(Cc1cccnc1)C(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 729261413 BGYXNKANDWYDIJ-UHFFFAOYSA-N 445.522 5.884 30 20 IKED CCN(Cc1ccccc1)c1ccc(/C=C\C(=O)c2ccc(C(F)(F)F)nc2O)cc1 731563769 UQYDWKHPGXKKEP-UVTDQMKNSA-N 426.438 5.729 30 20 IKED Cc1cc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)c(C)n1[C@@H](C)c1ccccc1 732762544 JLHWOMHBXQAFND-IBGZPJMESA-N 429.520 5.046 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)c1 733772992 KKLODADBQMUMJS-FQEVSTJZSA-N 436.943 5.260 30 20 IKED CC(=O)N(c1nc(C=NNc2nc(C)nc3sc(-c4ccccc4)cc23)cs1)C1CC1 734297686 SRUBPDNZUFKOCB-UHFFFAOYSA-N 448.577 5.085 30 20 IKED C=CC[C@H](NC(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccncc1 734657518 HUHHVPMWFJYFSK-KOSHJBKYSA-N 446.526 5.080 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3nc(-c4ccccc4)n[nH]3)cc2Cl)cc1 735568366 ZEZVTMCDFJVPPQ-UHFFFAOYSA-N 444.882 5.111 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1cc(F)c(F)cc1[N+](=O)[O-] 736045985 POFYCARPDYBSRP-UHFFFAOYSA-N 444.234 5.085 30 20 IKED O=C(/C=C\c1ccc(-c2ccc(F)cc2)o1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741844325 TVAUOXMCIYDENT-XFFZJAGNSA-N 438.398 5.318 30 20 IKED N#Cc1cccc(-c2nnc(CSc3ncc(-c4ccccc4)n3CC(F)(F)F)o2)c1 741852231 AGRYQDMUCHEYBI-UHFFFAOYSA-N 441.438 5.326 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 742885136 HSCHUGNQWZHKRW-OAHLLOKOSA-N 434.496 5.088 30 20 IKED O=C1Nc2c(ccc(Cl)c2Cl)C1=NNc1nc2cc(C(F)(F)F)ccc2s1 743444693 SZXWVIQLNJVCHJ-UHFFFAOYSA-N 431.226 5.390 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1sc(C2CCCC2)nc1C 744029422 SMZUNTHZBFEVOZ-CQSZACIVSA-N 431.945 5.041 30 20 IKED C=CCOc1ccc(/C=C/C(=O)O[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc1OC 746140630 OHBNXPXXBHWTCO-GDXASINISA-N 440.883 5.281 30 20 IKED COc1ccc([C@H](C)CC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 750683476 FBYZYKAECCTDEZ-XMSQKQJNSA-N 428.488 5.329 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc(C(F)(F)F)c1F 750977963 WXYSNMUUXWRSJJ-LBPRGKRZSA-N 440.418 5.034 30 20 IKED Cc1oc2cc(OC[C@H](O)c3ccc(C#N)cc3)ccc2c(=O)c1-c1ccccc1Cl 755307132 MEVCVAZHAKMNMP-QFIPXVFZSA-N 431.875 5.406 30 20 IKED C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 760200601 KODAEKHTFWTCDW-SWLSCSKDSA-N 444.890 5.827 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 760789015 ASFQUYCAXCCIOU-UHFFFAOYSA-N 436.386 5.607 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1cccc(C(=O)c2ccccc2)c1 762040776 WRNSNOFTOVPIMB-OXQOHEQNSA-N 443.453 5.642 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1c(F)cccc1Sc1ccc(Cl)cc1 765106350 YPASMPXBNARQBT-CQSZACIVSA-N 426.900 6.173 30 20 IKED O=C(NCCCC(F)(F)F)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl 765729965 JKCKAEDESHCGDF-UHFFFAOYSA-N 449.729 5.252 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)c1 768940821 JDFSNUKUZJIHFS-FQEVSTJZSA-N 425.479 5.035 30 20 IKED C[C@@H](Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 769989824 QZQARKZAPAZNRR-SNVBAGLBSA-N 429.357 5.510 30 20 IKED C[C@@H](Oc1cccc2ccccc12)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 774052133 KVAXBQRFIRPMHB-CXAGYDPISA-N 427.287 5.261 30 20 IKED COc1ccc(C(=O)[C@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1C1CC1 774260842 RRSHWWCYRQPSDX-XIKOKIGWSA-N 431.319 5.079 30 20 IKED CCCOc1ccc(-c2nc(C(=O)O[C@H](C#N)Cc3ccc(F)cc3F)cs2)cc1 774321809 XTXHEJCIEHCCKA-SFHVURJKSA-N 428.460 5.169 30 20 IKED C#CC[C@@H](OC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C)c1ccccn1 777313957 KNPRLGBSYXKEPQ-HSZRJFAPSA-N 428.492 5.205 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cn(C(C)(C)C)nc3Br)n2)cc1 780312354 KPILHCIQJDHHFZ-AWEZNQCLSA-N 443.370 5.323 30 20 IKED N#CC1(COC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)CCCC1 780533002 KEBZAXWYCVUSFS-UHFFFAOYSA-N 448.779 5.118 30 20 IKED CCOc1ccc([C@H](NC(=O)Nc2ccccc2O[C@@H](C)C#N)C(C)C)cc1OCC 780673881 GERSNTRDPQHHAA-GAJHUEQPSA-N 425.529 5.294 30 20 IKED CCCc1c(NC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)cnn1-c1cccc(C#N)c1 784712316 FPHNRNGMOXGMMT-OAQYLSRUSA-N 443.334 5.065 30 20 IKED C=C[C@](C)(CC)C(=O)OCc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1 785755150 URQFAJORYJBEQV-LJQANCHMSA-N 427.353 5.780 30 20 IKED C#CC[C@H](NC(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccccc1 788817726 IGXWKEKKAXVVJX-XZOQPEGZSA-N 448.364 5.192 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1nccn1-c1ccccc1 790148076 RDBMQNZBXDRXPM-UHFFFAOYSA-N 445.935 5.155 30 20 IKED C=CC[C@H](OC(=O)[C@H]1CCS(=O)(=O)c2ccccc21)c1ccc(Cl)c(Cl)c1 791055408 VJOKNWWIFYECJO-YJBOKZPZSA-N 425.333 5.115 30 20 IKED N#Cc1cc(NC(=O)c2csc(-c3ccc(Cl)cc3)c2)ccc1N1CCC(O)CC1 794356429 FFFVNBCSUGLATA-UHFFFAOYSA-N 437.952 5.154 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2C[C@H](C)CC[C@H]2c2ccccc2OC)c1=S 795676897 VPEUIUFFHUEZEE-NQIIRXRSSA-N 435.597 5.101 30 20 IKED COc1ccc(NC(=O)[C@H](OC(=O)C[C@H](CC#N)c2ccccc2)c2ccccc2)cc1 795981084 LHZRNHOXXASXOC-SQJMNOBHSA-N 428.488 5.006 30 20 IKED C=C(C)Cn1c(SCC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1-c1ccncc1 799887903 GAJQPAIGNZWRGV-GOSISDBHSA-N 443.617 5.046 30 20 IKED COC(C)(C)c1nc(C)c(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)s1 810529588 JXJAYNRCWAXKTN-KRWDZBQOSA-N 449.532 5.087 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 812189505 BJYJQLSSIJASNM-OZIGNCPNSA-N 447.410 5.120 30 20 IKED COc1cc(C=NNc2ccc(OC(F)(F)F)cc2)ccc1OCc1c(C)noc1C 812461378 RNLYWQGBJRTSNJ-UHFFFAOYSA-N 435.402 5.224 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915086235 IIFYAARQGDXQPQ-DEOSSOPVSA-N 441.531 5.619 30 20 IKED Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1csc(-c2ccccc2)n1 916333306 IKCIFWKYXWNVJQ-UHFFFAOYSA-N 432.361 5.546 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1OC 916407495 DDSCEGNEMHEBRK-FYWRMAATSA-N 428.488 5.164 30 20 IKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)oc2ccc(Cl)cc12 916885718 ATHKEUFLCZTOSM-OAHLLOKOSA-N 434.851 5.671 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CSc1cccc(C(F)(F)F)c1 916902617 GMWFKRJRXAYHGV-GOSISDBHSA-N 434.483 5.270 30 20 IKED O=C(COc1ccc(C(=O)/C=C/c2cnc(-c3ccccc3)nc2)cc1)Nc1ccccc1 917142966 SUNOYMNVAGSKGH-LFIBNONCSA-N 435.483 5.057 30 20 IKED CCOc1cc(C#N)ccc1OC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 920020038 VUZGYMOCCZIVMX-CQSZACIVSA-N 442.924 5.493 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCn3c4ccccc4c4ccccc43)n2)cc1 920143268 VCNXDKPREMXVHB-QFIPXVFZSA-N 446.535 6.056 30 20 IKED CC(=NOCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc(NC(=O)C2CC2)cc1 920400438 KVGLQKYCEGBDHN-UHFFFAOYSA-N 445.306 5.333 30 20 IKED COc1ccc([C@H](Cc2ccccc2C)NC(=S)Nc2ccccc2C#N)cc1OC 921270453 FVZLDUVAXFQKBZ-QFIPXVFZSA-N 431.561 5.154 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)C4CCC(C(F)(F)F)CC4)CCC3)cc2)C1 1785804404 DUECXWPFBQDWGD-UHFFFAOYSA-N 434.502 5.455 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)CCc4c[nH]c5ccccc45)CCC3)cc2)C1 1785807427 PUUMAUKUOGMBFB-UHFFFAOYSA-N 427.548 5.201 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc(CCCCC)s1)C2 1798593463 NQGUMSZXLFOCMT-REPLKXPHSA-N 431.646 5.120 30 20 IKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](CC)c2ccccc2)[C@H]1c1cccnc1 1803082268 QPUHFRSBHLMLGM-GSDHBNRESA-N 445.607 5.050 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2OCC)[nH]n1 1819555719 XSDUWBANGXBGOU-FQEVSTJZSA-N 438.572 5.107 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCC(F)(F)CC2)CC1 1824329855 QAUCNYNXVVCQIY-OAQYLSRUSA-N 438.603 5.424 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3sccc3s2)CC1 1828553661 KEFTZULKXQQRPE-AEFFLSMTSA-N 430.639 5.408 30 20 IKED C[C@@H]1CCC[C@H]1C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828906469 NWJDEEAIEPHQPB-GMKZXUHWSA-N 444.736 5.093 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H](C)c2ccccc2)CC1 1831507069 MXVGJCRJXYEDLR-HDYLNDSGSA-N 436.640 5.568 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 1831858308 LBABEAIXGUEANO-XMMPIXPASA-N 432.564 5.288 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 1832023624 XUOOYCVKXZFHQI-SSUZURRFSA-N 434.624 5.178 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)cc2C)CC1 1832725592 PEHWHLMBVHJIIZ-XMMPIXPASA-N 426.576 5.136 30 20 IKED N#Cc1c(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cn2ccccc12 10433053 SXRMNTOVJSAUKT-UHFFFAOYSA-N 442.935 5.399 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2c(C)cccc2C)cc1 11153676 XUPJEBAFKUBJLW-UHFFFAOYSA-O 429.609 5.693 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1ccc(Cl)cc1 17708529 UYNKUYMISNNOCM-HNNXBMFYSA-N 437.956 5.996 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)NC(C)(C)C)nc2sc(-c3ccccc3)c(C)c2c1=O 18541093 BBYOVVZYYKALNY-HNNXBMFYSA-N 441.622 5.015 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2cccc(O)c2)cc1 22695156 OKDFFUUQXLDDLR-UHFFFAOYSA-O 432.352 5.346 30 20 IKED N#Cc1ccccc1-c1ccc(CSc2nnc([C@@H]3COc4ccccc4O3)o2)cc1 45773023 CUKFHYZKTKZEJK-QFIPXVFZSA-N 427.485 5.413 30 20 IKED CN(C(=O)CNc1cccc(OCc2cccc(C#N)c2)c1)[C@@H]1CCCc2ccccc21 61020290 KSGPAEAWONPZDX-AREMUKBSSA-N 425.532 5.085 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 62523317 BORIKVQLNGYEGO-OAHLLOKOSA-N 434.883 5.262 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 71934052 OBJDVMUMXXADMQ-NRFANRHFSA-N 430.529 5.520 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)ccc1O[C@H](C)C(=O)N(C)C 96766614 OURSJKYHNHQVQD-LBIZBFCRSA-N 436.335 5.144 30 20 IKED CN(CCC#N)c1ccc(CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 237207554 IKHYNEUQFFNCHM-UHFFFAOYSA-N 430.499 5.469 30 20 IKED C[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1nc(-c2cccc(F)c2)no1 237600199 WFXYWZFEPSNBEM-KRWDZBQOSA-N 428.467 5.177 30 20 IKED N#C[C@H](C(=O)CSc1nc2cc(Cl)ccc2o1)c1nc(-c2ccccc2)cs1 247707150 FZSUEYGIBSJZFC-CQSZACIVSA-N 425.922 5.573 30 20 IKED C=CCn1c(SCc2cc(=O)oc3cc(CC)ccc23)nnc1-c1ccc(OC)cc1 255933274 IGFRWXATIYTAOK-UHFFFAOYSA-N 433.533 5.101 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CC(c1ccccc1)c1ccccc1 302965467 PTICNENHKCSXCK-UHFFFAOYSA-N 433.511 6.215 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1 409810801 JGAZMIYMRHOLOH-ATIYNZHBSA-N 441.531 5.948 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 410253947 DNWVGSJLOCSOBV-IBGZPJMESA-N 444.510 5.042 30 20 IKED N#Cc1ccc(NC(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c(Cl)c1 426123943 QMHXNPCIWQNZOH-UHFFFAOYSA-N 431.348 5.886 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)c12 430604747 QXPULIAMUBKJMN-INIZCTEOSA-N 435.597 5.616 30 20 IKED N#CCC[C@@H](NC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)c1ccccc1 430885664 NQWFKNDFUZZRKX-MBOZVWFJSA-N 430.321 5.178 30 20 IKED N#Cc1cc(NCc2cnc([C@@H]3CCCO3)s2)ccc1Oc1ccc(C(F)(F)F)cc1 432427267 XYGNAGFLBTVUNC-FQEVSTJZSA-N 445.466 6.289 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cc1 432921945 IDIYLJXJFKNGQW-AFARHQOCSA-N 429.495 5.538 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)c1ccccc1 435729343 CKGZMICOUYDUTD-QHCPKHFHSA-N 442.519 5.093 30 20 IKED COCCCCN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438663252 CINCCPBEXVRGJT-UHFFFAOYSA-N 447.510 5.950 30 20 IKED C[C@H](N[C@H](C)c1cc(F)c(Cl)cc1Cl)C(=O)N(CCC#N)c1ccc(F)cc1 439539741 DYCOULGTTIGTIQ-OLZOCXBDSA-N 426.294 5.258 30 20 IKED CCCc1c(NC(=O)N(Cc2ccco2)Cc2cccs2)cnn1-c1cccc(C#N)c1 439660967 DNZQPCOIDHXUSE-UHFFFAOYSA-N 445.548 5.585 30 20 IKED CCCCN(C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@@H](CC)c1ccccc1 441889190 MLRYHOFZUBGZBO-FQEVSTJZSA-N 431.458 5.296 30 20 IKED N#Cc1cc(Oc2cccc(CNC(=O)Nc3ccccc3)c2)nc2ccc([N+](=O)[O-])cc12 443972783 NUSKOEDVBDCEMK-UHFFFAOYSA-N 439.431 5.129 30 20 IKED N#CCCCn1cc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c2ccccc21 444039607 MZWSTMSJVLNNNX-UHFFFAOYSA-N 426.495 5.495 30 20 IKED N#CCCCn1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c2ccccc21 444042162 IGMXGGCKJFNLHK-UHFFFAOYSA-N 448.526 5.842 30 20 IKED N#CCCCn1cc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c2ccccc21 444119270 ACDBEEJFZYCXQU-SANMLTNESA-N 448.526 5.519 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1 446495731 BFGUWRDLIDEMTG-UHFFFAOYSA-N 436.471 5.317 30 20 IKED C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 460792404 JAOBFLCPTARDSR-LJQANCHMSA-N 429.572 5.164 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cccc(-c4cscn4)c3)c2)cc1 463118282 KBFUEFKIVTVQMP-UHFFFAOYSA-N 425.513 5.707 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1ccc(C#N)c(F)c1 464639323 UFJCITLMUOMGSR-UHFFFAOYSA-N 431.851 5.364 30 20 IKED Cc1coc(-c2ccc(C)c(NC(=O)NC3CCC(Oc4ccccc4C#N)CC3)c2)n1 470265398 YUQZYIQUBXGBNH-UHFFFAOYSA-N 430.508 5.342 30 20 IKED CSc1cc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(Cl)cc1Cl 471024686 CJDZPHPDJDDCLS-UHFFFAOYSA-N 448.375 5.078 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ncoc1-c1ccc(F)cc1 471783717 YLIQILAKICVSTD-UHFFFAOYSA-N 427.435 5.492 30 20 IKED Cc1ccccc1-c1cc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)c2cnn(C(C)C)c2n1 474433533 OEZZMQCJYGWWNI-IBGZPJMESA-N 443.576 6.058 30 20 IKED CCCOc1ccc(CN(Cc2ccccc2)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 481542531 MQKSOUUITLPMGJ-UHFFFAOYSA-N 438.531 5.599 30 20 IKED N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 481913486 GCRVIKNIPYIUSY-PKTZIBPZSA-N 441.497 5.298 30 20 IKED CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2ccccc2-c2ccccc2C#N)c1 485606812 NSMXEGIKKLQGFL-UHFFFAOYSA-N 432.545 5.191 30 20 IKED O=C(NC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1cc(C(F)(F)F)ccc1F 486923630 HZVAPTSOHUBKON-UHFFFAOYSA-N 435.339 5.299 30 20 IKED C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 487500237 JINFZQQEJLVXBC-BKSPAHHJSA-N 447.579 5.020 30 20 IKED Cc1ccsc1-c1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)o1 488774528 IGSAPNNTDOBEGU-GFCCVEGCSA-N 444.607 5.428 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2c(C)cc(C)cc2C)o1 488780561 HNPQQFZETOCAFR-UHFFFAOYSA-N 425.579 5.671 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 489236376 CXVHYYRFVRXAHN-AZUAARDMSA-N 434.446 5.456 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)NCc3ccccc3COCc3ccccc3)CC2)cc1 502300487 ABEPCQXGORKUFI-UHFFFAOYSA-N 437.543 5.274 30 20 IKED Cc1cc(Br)cc(Cl)c1NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 504079522 YVMZXSOOMULHHJ-UHFFFAOYSA-N 429.705 5.029 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCO[C@@H](c2ccccc2Cl)C1 505116273 YHDYPBITMHCRTP-OAQYLSRUSA-N 434.948 5.577 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)[C@H](C#N)c3nc4ccccc4s3)c12 505313803 VWTXPKRBDAEISC-AWEZNQCLSA-N 428.473 5.535 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N(Cc3ccc4ccccc4c3)C3CC3)CC2)c(F)c1 506790243 PKIACOUUSOFGQU-UHFFFAOYSA-N 427.523 5.258 30 20 IKED COC(=O)c1c(Br)ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)c1C 506961279 GWWUAQGKSLDEMM-UHFFFAOYSA-N 443.322 5.191 30 20 IKED C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](n2ncc3ccccc32)C1 508735649 XAIVKBPLAIVYLO-IRLDBZIGSA-N 442.567 5.022 30 20 IKED C=CCN(C(=O)c1cccc(COc2ccc(C)nc2)c1)c1nc(-c2ccccc2)cs1 510213944 XGHLUMXKTXTSIP-UHFFFAOYSA-N 441.556 5.925 30 20 IKED Cc1cccc(NC2CCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)CC2)c1 516820050 QVPWGHJTUXJHSC-UHFFFAOYSA-N 427.508 5.162 30 20 IKED C[C@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1ccc(F)cc1F 517545671 WPEKHPLVJLGAMD-OAHLLOKOSA-N 431.914 5.016 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(Br)cc3Cl)CC2)c1 517901160 NHILDFUZKFGXPX-UHFFFAOYSA-N 434.721 5.049 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1CN1CCC[C@H](C)C1 518169676 SJPPYZXGNWRVPQ-PMACEKPBSA-N 436.625 5.492 30 20 IKED Cc1ccc(-c2csc(NC(=O)CCCCOc3cccc(C#N)c3)n2)cc1[N+](=O)[O-] 518903670 OBZFZYWUABGGCA-UHFFFAOYSA-N 436.493 5.086 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2c(Cl)cccc2Cl)cc1 520178906 FUBCWMQYLFYMRC-UHFFFAOYSA-N 432.351 5.472 30 20 IKED CCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@@H]1CCOC(C)(C)C1 520661937 KRMBVWZQJHYRPG-TZIWHRDSSA-N 425.960 5.807 30 20 IKED COc1ccccc1[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccccc1 521713515 QWCRROUSOASILB-AREMUKBSSA-N 438.483 5.258 30 20 IKED CC(=O)Nc1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)ccc1Cl 523947276 VPKXUBKDPIJZEU-UHFFFAOYSA-N 440.286 5.868 30 20 IKED CC(=O)N(c1nc(COc2ccc(C#N)cc2F)cs1)c1c(C)cc(C)cc1Cl 532632905 SCQYKLRQDZPJJN-UHFFFAOYSA-N 429.904 5.688 30 20 IKED Cn1cc(-c2ccccc2CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cn1 534744160 UQDBDFMASOUAQF-UHFFFAOYSA-N 438.556 5.181 30 20 IKED C[C@@H](C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)c1cccc(C(=O)c2ccccc2)c1 534906182 XUFUDPDVEOUYHZ-ZHRRBRCNSA-N 436.433 5.421 30 20 IKED C[C@@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 539030381 URODPIAZGIQMFI-IBGZPJMESA-N 447.510 5.081 30 20 IKED O=C(Cc1coc(-c2ccc(F)cc2)n1)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 540621583 KTDFIVUZRSTBTK-KRWDZBQOSA-N 446.322 5.462 30 20 IKED C[C@@H](NC(=O)CCc1nnc(-c2ccsc2)o1)c1ccc(-c2cccc(C#N)c2)cc1 541071228 VIUWZFCVTABPJH-MRXNPFEDSA-N 428.517 5.147 30 20 IKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)cc1F 541968119 LMPKUNJBZWJJBE-VBKZILBWSA-N 447.963 5.183 30 20 IKED Cc1c(NC(=O)c2ccc(C#N)c(Cl)c2)cccc1C(=O)N1CCc2sccc2C1 548607054 JBACAGYNPCGWNY-UHFFFAOYSA-N 435.936 5.032 30 20 IKED C[C@H](Cc1cnc2ccccc2n1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 549822216 OIFYSLWFCQAZKX-LJQANCHMSA-N 436.515 5.092 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1ccc(-c2ccncc2)cc1 557559304 KYVHPWFDVPVPFE-RTBURBONSA-N 430.577 5.290 30 20 IKED C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC(C)(C#N)CC1 558986800 PNVYBMNUXSWNTC-UHFFFAOYSA-N 434.769 5.067 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N(Cc3ccccc3)CC3(O)CCCC3)cc2)ccn1 562098121 UGQBBKLFODBTCW-UHFFFAOYSA-N 442.519 5.085 30 20 IKED N#Cc1ccccc1SCC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 565336025 JSOYPRHATHUVJX-IBGZPJMESA-N 427.485 5.367 30 20 IKED C=C(C)Cn1c(C(C)C)nnc1N1CCC(c2nc(-c3ccccc3OC)cs2)CC1 568536597 OSJDYEUTCMOMOZ-UHFFFAOYSA-N 437.613 5.494 30 20 IKED CC(C)(C(=O)Nc1ccc(OC(F)(F)F)cc1Br)c1cc(F)cc(C#N)c1 569964491 MJNJVXGINIORJZ-UHFFFAOYSA-N 445.210 5.275 30 20 IKED CCC[C@@H](NC(=O)c1ccccc1)c1noc(-c2cn(CCCC#N)c3ccccc23)n1 579056732 UMDMSFRVMBTRAW-OAQYLSRUSA-N 427.508 5.266 30 20 IKED C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H]1c1csc(C)n1 581039790 KOHXSJRFUDDMNF-QGZVFWFLSA-N 448.365 5.139 30 20 IKED CCc1cc(Oc2cnc(-c3noc(C[C@H](CC#N)c4ccccc4)n3)cn2)ccc1Cl 584686231 LLWAAZCZUFNVNP-SFHVURJKSA-N 445.910 5.775 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)C3(c4cccc(Br)c4)CC3)cc2)ccn1 589541860 MTDFIRTZSQCYLN-UHFFFAOYSA-N 434.293 5.178 30 20 IKED C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1cccc(OC(F)F)c1 603660063 ADHFJPNPIIOESW-ZDUSSCGKSA-N 428.464 5.090 30 20 IKED Cc1ccc(N2CCC(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)nc1 604387593 KUDGCGBUGXGRAH-QHCPKHFHSA-N 444.966 5.554 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3cccc(F)c3)C[C@H]3CCCO3)cn2)c1 604522880 PIWMSAQMQHOPCH-HSZRJFAPSA-N 446.482 5.098 30 20 IKED O=C(Nc1ccccc1CC(F)(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 608328816 KWRJQTMMAUBTFR-GDNZZTSVSA-N 436.318 5.822 30 20 IKED Cc1ccc(-c2ocnc2C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 608552838 BSNODVAWAIFOGB-CQSZACIVSA-N 427.407 5.769 30 20 IKED CC[C@@H](c1ccccc1)c1nnc(SCC(=O)N(CCC#N)c2cccc(C)c2C)o1 609019186 LEDLEUUQYQGYRP-FQEVSTJZSA-N 434.565 5.267 30 20 IKED CCOCc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 609078489 UHEJUKUKDAZOJQ-UHFFFAOYSA-N 429.520 5.304 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(OC[C@H]4CCCO4)c3)cc2F)c1 609104140 PTSJIVCHQABSTD-HSZRJFAPSA-N 446.478 5.086 30 20 IKED C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc2c(c1)CCC(=O)N2 609208765 DLERBRYGYIUJOM-MRXNPFEDSA-N 426.476 5.118 30 20 IKED COc1ccccc1[C@H]1CCCCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 609279456 UBONQANLOMFEKP-OAQYLSRUSA-N 432.549 5.373 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 609401884 FXWJQBXDLZMRTB-IAGOWNOFSA-N 428.989 5.240 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ccc(Oc2ccccc2)cc1 609439532 RJDBMGKCSDMXAY-SFHVURJKSA-N 445.544 5.128 30 20 IKED CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 609927238 FRCPUBOFDDLQMI-KPZWWZAWSA-N 441.837 5.050 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](COCc1ccccc1)c1ccccc1 610142692 KGMMRTCZZZFCNT-YKSBVNFPSA-N 445.588 6.018 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(Br)c(F)cc1Cl 610634880 XORPYMVXYTVLFW-UGSOOPFHSA-N 436.712 5.545 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 611363087 BIGFYBNMVMNSIZ-JOCHJYFZSA-N 436.515 5.456 30 20 IKED CC(C)NC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 613404515 OHPGGMBENMVNCP-OAHLLOKOSA-N 446.454 5.335 30 20 IKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4o3)cc12 614439778 IAZGZNYSWYBLHZ-INIZCTEOSA-N 446.919 5.739 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)cc1OC 615747298 WCHONKYBTAKBMB-UHFFFAOYSA-N 426.856 5.011 30 20 IKED O=C([C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618301512 RFYIEXWBFWYTKL-AAVRWANBSA-N 433.314 5.398 30 20 IKED C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618453915 VNRMONWQOUNOAP-GMTAPVOTSA-N 436.318 5.095 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 618811189 UXGBRLONPYKPHY-CTNGQTDRSA-N 432.524 5.185 30 20 IKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 619666944 XRCBINCUCDPCPS-OXJNMPFZSA-N 433.430 5.088 30 20 IKED O=C(COc1cccc(C(F)(F)F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642158309 SYXLPAAVXSOTRL-GDNZZTSVSA-N 437.302 5.110 30 20 IKED O=C(NC[C@H]1CCCC[C@H]1C(F)(F)F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 672732508 LFWIYFDDSYIFDW-PRULPYPASA-N 442.366 5.564 30 20 IKED O=C(Nc1cc(F)ccc1O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 677591887 WVWQGJXMOOTMIM-UHFFFAOYSA-N 433.283 5.007 30 20 IKED CC(C)(C)Oc1c(F)cc(NC(=O)N2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1F 679886041 RCZDLHYOFFSLMA-AOOOYVTPSA-N 434.327 5.347 30 20 IKED Cc1nc(/C=C\c2csc([N+](=O)[O-])c2)sc1C(=O)/C=C/c1csc([N+](=O)[O-])c1 726849172 XOQAVIVFQZEVLS-HZDAAVBUSA-N 433.492 5.457 30 20 IKED Cc1ccc(N(CCC#N)C(=O)CCc2ncc(-c3ccccc3Br)o2)cc1 726940122 IZFQYLQYTHZRIX-UHFFFAOYSA-N 438.325 5.292 30 20 IKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(CCCCC#N)C2=O)cc1 728776911 GPWGBNXOTNGOFS-QFIPXVFZSA-N 448.592 5.266 30 20 IKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CC[C@H](N3CCCCC3)C2)c1=S 730805124 QTKAOMQMRABFPJ-QFIPXVFZSA-N 439.673 5.082 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 731332903 VBXXDBQEFUKITA-INIZCTEOSA-N 425.554 5.609 30 20 IKED N#Cc1ccccc1COc1cccc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)c1 731360689 NGOVMRRAGFWTPO-QFIPXVFZSA-N 437.421 5.266 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](O)c1ccc2ccccc2c1 731539708 FTSDAHCMIICPRP-SANMLTNESA-N 437.499 5.667 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1cccc(COc2ccccc2C#N)c1 734100751 PNERXHCLVMUCFQ-UHFFFAOYSA-N 443.503 5.737 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=S)Nc2ccc(OC(F)F)c(Cl)c2)cc1 735625579 OKJSDYJTJFDTJR-GOSISDBHSA-N 443.906 6.406 30 20 IKED COc1ccc(COCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 737323166 PSXRGZGZNVESMI-IBGZPJMESA-N 426.925 5.255 30 20 IKED C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 740484910 XOXDNBDTZCFZKJ-TZIWHRDSSA-N 436.625 5.083 30 20 IKED O=C(/C=C/c1cc(Br)cs1)c1ccc(S(=O)(=O)C2CCCC2)cc1 741446850 ANCZHIPPOXGKKZ-JXMROGBWSA-N 425.369 5.123 30 20 IKED N#CCCCOc1cccc(/C=C(/Cl)c2ncc(-c3ccccc3Br)o2)c1 741844935 WSCLTWNNPUPVMA-CPNJWEJPSA-N 443.728 6.524 30 20 IKED Cc1ccc(N2C(=O)CC[C@H](C(=O)[C@H](C#N)c3nc(C)cs3)[C@@H]2c2cccs2)cc1 744010021 CBOJQCOZXJGOHE-BBTUJRGHSA-N 435.574 5.182 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCN(c4ccc(C(C)C)cc4)C3=O)n2)cc1 744030780 HAVAAFUYQFCIKL-VXKWHMMOSA-N 443.572 5.471 30 20 IKED COc1ccc2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c(C)c2c1 744031428 XCAGVXSRLOYDJO-CQSZACIVSA-N 433.316 5.486 30 20 IKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 744032164 HILBGHLYTKKFKI-ZNMIVQPWSA-N 425.674 5.237 30 20 IKED C[C@@H](c1cccs1)N(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)Cc1ccccc1 746156381 JZMNUFFXGHAIMA-GHTZIAJQSA-N 438.556 5.549 30 20 IKED CCCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H](C)c1ccccc1OC 746658863 HPEFESUGMPXKDY-CPJSRVTESA-N 427.548 6.356 30 20 IKED CCCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H](C)c1ccccc1OC 746658871 HPEFESUGMPXKDY-NLFFAJNJSA-N 427.548 6.356 30 20 IKED Cc1ccc(NC(=O)C(=Cc2cc(C#N)cs2)C(=O)Nc2ccc(C)cc2C)c(C)c1 748439134 KIHVEROUZZDXQJ-UHFFFAOYSA-N 429.545 5.514 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc(C(=O)OC)o1)C(=O)c1ccccc1 749453024 PRCCWBWQDLJWLJ-PGMHBOJBSA-N 431.488 5.096 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 752593301 OQJYTLQMHSJZLT-CQSZACIVSA-N 425.357 5.200 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 752685801 IPZZTKKZPVRRQB-PMACEKPBSA-N 433.899 5.226 30 20 IKED C[C@H](C#N)CN(Cn1nc(-c2cc(-c3ccccn3)nc3ccccc23)oc1=S)C1CC1 753986840 CEBWXZHFWCUROU-MRXNPFEDSA-N 442.548 5.064 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(C)n2[C@@H]2CCC[C@H](C)C2)cc1 758170668 ZBWFDPOQMRVVSD-BBTUJRGHSA-N 425.602 5.074 30 20 IKED N#Cc1cc(NC(=O)c2ccc3c(ccn3Cc3ccccc3)c2)c(Cl)c([N+](=O)[O-])c1 763184535 ZSDPIETUZMHBGY-UHFFFAOYSA-N 430.851 5.375 30 20 IKED C=CCn1c(-c2cnccn2)nn(CNC2(c3ccc(Cl)cc3)CCCCC2)c1=S 764960895 BRRJUYVJTQFOMZ-UHFFFAOYSA-N 441.004 5.117 30 20 IKED CCCC[C@H](ON=C(C)C)C(=O)O[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 767751713 QMHWPNOEXMMTBA-LRDDRELGSA-N 428.316 5.619 30 20 IKED CCCN(C(=O)c1ccccc1NC(=O)c1cn(CCCC#N)c2ccccc12)C(C)C 767972888 TUAXHMFBIVBBRW-UHFFFAOYSA-N 430.552 5.458 30 20 IKED N#C[C@@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)C(=O)Nc1cccc2ccccc12 769946359 SDZQNYOODHXEMI-LPGQDOADSA-N 442.824 5.786 30 20 IKED COC(=O)C[C@H](NC(=O)Nc1ccccc1O[C@@H](C)C#N)c1ccc(-c2ccccc2)cc1 771190712 JUZVDGRFDWVXJS-MBSDFSHPSA-N 443.503 5.070 30 20 IKED C=CCc1cc(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)c(C)c2)cc(OC)c1OC 772091763 HCCVPFLPCJDHQZ-UHFFFAOYSA-N 440.540 5.018 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1ccc(OC(C)C)c(C#N)c1 772149196 XZYXUWHEDIWDQV-UHFFFAOYSA-N 443.334 5.458 30 20 IKED CCOC(=O)c1oc2ccccc2c1CNC(=O)Nc1ccccc1S[C@H](C)CC#N 775614877 MXEKGYGEDRWDGV-OAHLLOKOSA-N 437.521 5.325 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2nccs2)[n+]2ccc(C(CC)CC)cc2)c1 778082398 DCCHWCNGNXBHSC-UHFFFAOYSA-O 434.610 5.639 30 20 IKED N#C[C@H](C(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1)c1nc2ccccc2s1 780302623 PXCVEEGOSKBILI-DENIHFKCSA-N 441.512 5.140 30 20 IKED Cc1cc(-c2nnc(COC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)o2)c(C)o1 783544448 XPOLQMMYQRJSML-UHFFFAOYSA-N 433.395 5.107 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnn(Cc3ccccc3)c2Cl)cc1 796793203 PKEQVHGYBYKPGG-UZLBHIALSA-N 434.927 5.059 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(C)(c2ccc(Br)cc2)CC1 799410659 YSMBLOLNCOXNOF-MRXNPFEDSA-N 442.357 5.326 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)OCCCC1(C#N)CCOCC1 800128036 ZVMBXOBROZOTJS-UHFFFAOYSA-N 438.471 5.395 30 20 IKED C#C[C@@H](N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccc(F)cc1 812310383 VOAUYQHUVYYICN-IFMALSPDSA-N 437.858 5.031 30 20 IKED C=CCNC(=O)c1ccccc1NC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C 818955300 RADLQUGLFYQCCG-UHFFFAOYSA-N 445.466 5.305 30 20 IKED CC(C)n1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(C2CCOCC2)n1 856619269 PBBPKILOTHWRLJ-UHFFFAOYSA-N 430.508 5.274 30 20 IKED CC(C)(C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 883978213 ICTROPJWIOEWBW-STQMWFEESA-N 435.330 5.572 30 20 IKED CCCCCCCCc1nnc(NC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)s1 915311349 DNCOMNXXZDHMHS-UHFFFAOYSA-N 443.617 5.324 30 20 IKED C[C@H](OC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 915419427 KSKASKLSBSPKBD-VIFPVBQESA-N 448.331 5.081 30 20 IKED O=C(COc1ccc(C(=O)/C=C/c2csc(-c3ccccc3)n2)cc1)Nc1ccccc1 916128325 WAMFBHITLZVPDC-DTQAZKPQSA-N 440.524 5.724 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1csc(-c2ccccc2)n1 916309731 MFWVSEBQBPGSGU-UHFFFAOYSA-N 428.542 5.439 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(C)cc2)n1 916901410 HKIDQGBWEIXIDF-OAHLLOKOSA-N 439.924 5.050 30 20 IKED CCOc1c(Cl)cc(C(=O)[C@H](C#N)C(=O)Nc2ccc([C@H](C)CC)cc2)cc1OC 916947215 GVZOJZNOMMLZTM-KDOFPFPSSA-N 428.916 5.222 30 20 IKED C=CCn1c(SC[C@@H](O)c2ccc(OC(F)(F)F)cc2)nnc1-c1cccc(C)c1 916983471 OWVLPXYSNGWLNK-GOSISDBHSA-N 435.471 5.164 30 20 IKED N#C[C@@H](C(=O)CSCc1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ccc2s1 917045177 WLHSSKWYSPNNHP-AWEZNQCLSA-N 440.899 6.078 30 20 IKED Cn1ccnc1COc1ccc(C(=O)/C=C\c2cccc(OCc3cccc(C#N)c3)c2)cc1 917518107 VLEURYUFBUSSQT-JYRVWZFOSA-N 449.510 5.346 30 20 IKED COc1ccc(C)cc1C(=O)/C=C\c1csc(N(C(C)=O)c2ccc(Cl)cc2)n1 917560455 ZDYRSEOYOLMOCS-YFHOEESVSA-N 426.925 5.694 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\SC(=Nc3cccc(C)c3)NC2=O)cs1 917563651 RBSZZICHJNZWPI-NDENLUEZSA-N 448.573 5.336 30 20 IKED CCN(CCCNC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)OC(C)(C)C 918698371 ODHSYSQVTHFIMT-UHFFFAOYSA-N 439.581 5.086 30 20 IKED FC(F)(F)c1cc(Cl)c(=S)n(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 918734378 IBNIOGTYYFWSAC-YUMQZZPRSA-N 446.766 5.910 30 20 IKED C[C@@H](Sc1ccccc1Cl)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806401 KQHBKURVCQSRBJ-VXGBXAGGSA-N 434.920 6.099 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc(NC(=O)CCC)c(C)c3)cc2)CCC1 1790055024 QKDLUQREBQQSNI-UHFFFAOYSA-N 433.552 5.057 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccoc4Cl)cc3)CCC2)c1 1790207786 NQWWDLMIEJYLTM-INIZCTEOSA-N 447.922 5.622 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(C)c(F)c3F)cc2)CCC1 1792113439 NRESPJOJZBXPNF-UHFFFAOYSA-N 442.506 5.004 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(Cl)c2)[C@H]1c1cccnc1 1802494626 DXGIQKRPEVCTMO-UNMCSNQZSA-N 439.987 5.047 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc4ccccc24)C3)c1 1803679975 WKJACYLIOSFRFW-ABQRKTDGSA-N 437.543 5.032 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccccc2)cc1 1803828101 GJYWTRNORRRGHB-QYOOZWMWSA-N 428.576 5.374 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2ccccc2C)[C@H]1c1cccnc1 1812750094 CIVVMSRJXVLUJD-AOYPEHQESA-N 447.623 5.021 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3[nH]ccc3s2)n[nH]1 1818786671 OVEVFDWYNNQPBE-GOSISDBHSA-N 437.569 5.027 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccccc2)[nH]n1 1819556662 JRSBUKVAFZFKIO-URVUXULASA-N 434.584 5.198 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)COc2cccc3ccccc23)CC1 1824955890 CPJIDDULLFYPON-SQJMNOBHSA-N 448.607 5.051 30 20 IKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)CC1 1829903430 FFCSFXPTEUVDQG-NRFANRHFSA-N 449.422 5.420 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 1829976453 TUHVYPMUTJYCIW-KKSFZXQISA-N 437.411 5.439 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)Sc2cccs2)CC1 1831373953 VLEXCPGKWOIGOE-NLWGTHIKSA-N 434.671 5.061 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2cccc(O)c2)cc1 10173851 HUQDISZAHPGGNN-UHFFFAOYSA-O 449.596 5.427 30 20 IKED C[C@@H](Sc1nnc(-c2cccs2)n1Cc1ccccc1)C(=O)Nc1ccccc1C#N 10345551 XTWSYFKWNREVEO-MRXNPFEDSA-N 445.573 5.046 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2cccc3ccccc23)cc1 22693409 ZGCTXNAXOCVZHW-UHFFFAOYSA-O 431.606 6.111 30 20 IKED COc1ccc(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccc3c(c2)CCCC3)cc1 22731294 ITEYSDLPOKNNPS-UHFFFAOYSA-O 437.610 5.282 30 20 IKED CCCN/C(S)=C(/C(=O)c1ccc(C(C)(C)C)cc1)[n+]1ccc(C(CC)CC)cc1 22804683 MTXSLPVTAHGJQO-UHFFFAOYSA-O 425.662 6.114 30 20 IKED O/C(CN[C@H](c1ccccc1)c1ccccn1)=N\c1nc(-c2ccc(F)c(F)c2)cs1 27539741 IQLOJXKFOIALKQ-JOCHJYFZSA-N 436.487 5.451 30 20 IKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)n1 29040264 GUFMTZFIKJSPDB-OAQYLSRUSA-N 435.549 5.016 30 20 IKED C=CCn1c(SCC(=O)Nc2cccc(Oc3ccccc3)c2)nc2sccc2c1=O 60384099 CKOWPYCSJCQVGE-UHFFFAOYSA-N 449.557 5.167 30 20 IKED Cc1cc(C)c(C)c(S(=O)(=O)/N=C(\O)Cc2csc(-c3cccc(F)c3)n2)c1C 97465429 FOBPUCFTOOFADV-UHFFFAOYSA-N 432.542 5.071 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(OC)c(F)c2)ccc1OCC(=O)Nc1ccccc1 208461523 GXQPXZUQWWGYRL-XFXZXTDPSA-N 449.478 5.147 30 20 IKED CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1 303629920 FITHADRDYNPWNS-YTTGMZPUSA-N 446.572 5.437 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 303676974 JCSYHVVWYZPAGX-ZOYWYXQUSA-N 446.572 5.049 30 20 IKED CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 433838155 XFJOGHCDYIRAHK-DEOSSOPVSA-N 436.531 5.270 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 437742998 ARSVFPGLXZAUPY-UXHICEINSA-N 449.448 5.407 30 20 IKED CC(C)(CO)[C@@H](CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1 437795875 HHVHPQVXWBTGNA-DEOSSOPVSA-N 429.520 5.274 30 20 IKED Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 437885776 AUMNYUCWBRZJGS-MHZLTWQESA-N 439.559 6.399 30 20 IKED N#Cc1cccc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)c1 439063801 IUNKUPBRTGYURA-UHFFFAOYSA-N 434.908 5.086 30 20 IKED C[C@@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)c1nc(Cc2ccc(Cl)cc2)no1 439602348 FYFZNQQTPYMYSN-MRXNPFEDSA-N 430.895 6.151 30 20 IKED CSc1cccc([C@@H](NC(=O)NCC2CCC(C#N)CC2)c2cc(F)ccc2F)c1 441026316 SWKAPHXURVLZAP-WTOQYCPUSA-N 429.536 5.405 30 20 IKED N#Cc1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)cc1C(F)(F)F 441833037 LJDYYNFXKMAYCF-IBGZPJMESA-N 449.860 5.217 30 20 IKED CCCc1c(C(=O)[C@H](C#N)c2nc3ccccc3o2)nnn1-c1ccc(C(C)(C)C)cc1 442684046 WNHCVPCBOAFWTJ-SFHVURJKSA-N 427.508 5.149 30 20 IKED N#Cc1cccc(/C=C/c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)no2)c1 445811444 QKAVJIDIGUIYQO-QPJJXVBHSA-N 440.303 5.134 30 20 IKED CC(C)c1ccc([C@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC2)cc1 461594412 DMQCBDSAMQAGKB-PXDATVDWSA-N 441.579 5.318 30 20 IKED Cc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c(Br)c1 465454181 UUQYPWORHWEULF-UHFFFAOYSA-N 437.341 5.404 30 20 IKED CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470566797 YXXXGZNQFFJABR-ATIYNZHBSA-N 444.579 5.351 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 472330058 TVMLVIIQINJHHG-VMRPVKRXSA-N 428.989 5.159 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 480808656 YANBZHLKLVEVQE-HNNXBMFYSA-N 440.469 5.021 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)N[C@H](C)c2ccc(C#N)cc2)nc1-c1ccccc1 481294918 MVRWYAUVWASEBW-XMSQKQJNSA-N 428.536 5.944 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N(Cc3cccc(F)c3)C3CC3)cc2F)c1 481577084 WKRIBEPCSXIFBQ-UHFFFAOYSA-N 433.458 5.612 30 20 IKED Cc1cc(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C(C)C)nn1-c1cccc(C#N)c1 482718807 NSCVLNXITROPBJ-UHFFFAOYSA-N 444.926 5.267 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCc4c(F)cc(F)cc4C3)cc2F)c1 483364762 IMNBYZFFOLNHPP-UHFFFAOYSA-N 437.421 5.145 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3c(F)cc(F)cc3-c3ccccc3)CC2)cc1 483660613 MLWCXEQMWGMRSE-UHFFFAOYSA-N 433.458 5.579 30 20 IKED N#CC[C@H](CC(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1)c1ccccc1 483830091 GYTWSOOUDRLLRM-GOSISDBHSA-N 434.927 6.074 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(N2CCCCC2)c2ncccc12 483940427 IHWFXDYJAYYEKJ-UHFFFAOYSA-N 446.599 5.613 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1 487037019 FHQCNQCNOMVXFV-QFIPXVFZSA-N 441.600 5.004 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)CCC(=O)c3ccc4ccccc4c3)s2)cc1 487290476 JDLDSWDBACJSIP-UHFFFAOYSA-N 425.513 5.360 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccc(-c3ccco3)cc2F)nnc1-c1ccco1 487570426 KEWCHVWKLYAEIF-UHFFFAOYSA-N 438.484 5.244 30 20 IKED C=CCn1c(SCCC(=O)Nc2ccc(OC)c(Cl)c2)nnc1-c1ccccc1F 487980456 LHEQRWWTFWVOBY-UHFFFAOYSA-N 446.935 5.053 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc3ncccc23)nnc1-c1ccccc1C 488916562 VYSPVGCRRAURPV-QGZVFWFLSA-N 429.549 5.107 30 20 IKED C=CCn1c(S[C@@H](CC)C(=O)c2ccc(NC(C)=O)cc2)nnc1-c1ccc(C)cc1 489625154 YNPKUBZRRHPUTF-NRFANRHFSA-N 434.565 5.152 30 20 IKED CCCCC1CCC(C(=O)Nc2ccc(CNC(=O)N3CCC(F)(C#N)CC3)cc2)CC1 492782022 FQNYVZQMMVGRQB-UHFFFAOYSA-N 442.579 5.159 30 20 IKED N#C[C@@H](C(=O)c1cnc(OC2CCCCC2)c(Cl)c1)c1nc(-c2ccncc2)cs1 497363959 KZDPJVIVDXOBNT-KRWDZBQOSA-N 438.940 5.455 30 20 IKED CCCN(CCC)C(=O)c1cccc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)c1 499858024 BIJLHBCEQYIGLM-LJQANCHMSA-N 432.351 5.250 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC2CCN(c3ccccc3)CC2)cc1 506270873 FWMKVSTVVJNCMK-UHFFFAOYSA-N 440.547 5.122 30 20 IKED COc1cc([C@H](C)NC2CCC(C#N)(c3ccccc3)CC2)ccc1OCc1ccncc1 507627996 CRLPTJDSTOXBOD-KLQKRWMMSA-N 441.575 5.724 30 20 IKED CCCOc1ccc(C(=O)c2ccccc2C(=O)N2CCC(C)(C#N)CC2)cc1OCCC 507828673 JQALSOIVFDPPLI-UHFFFAOYSA-N 448.563 5.261 30 20 IKED Cc1ccc([C@H]2CCCN2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 510236019 MACYYJZOCUMKJE-LJQANCHMSA-N 435.578 5.380 30 20 IKED CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 510675089 OEBFZSDMDNTFAP-XMMPIXPASA-N 427.504 6.118 30 20 IKED C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCC(Oc2ccc(C#N)cc2F)CC1 512826662 FTSIXWIATFMFAY-IBGZPJMESA-N 443.522 5.554 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12 515282473 ZILFHJQKQQZKND-UHFFFAOYSA-N 430.552 5.611 30 20 IKED N#Cc1ccc(CSCc2nc(-c3cccc(NC(=O)c4ccccc4F)c3)no2)cc1 516357401 ZYQFEVXRAADHHH-UHFFFAOYSA-N 444.491 5.433 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 517517518 BGKTXGCORQJTGO-CYBMUJFWSA-N 444.969 5.515 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)cc1 518208399 SVKSPNXIWNWAJR-QHCPKHFHSA-N 445.950 5.180 30 20 IKED CC(C)(c1ccccc1)c1nnc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)s1 518362397 WPYVKGPEWULGIV-UHFFFAOYSA-N 441.516 5.175 30 20 IKED C[C@H](SCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(C(F)(F)F)cc1 518656377 RPNJGFGOQDKXJF-CABCVRRESA-N 438.540 6.390 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NC3(c4cccc(Br)c4)CCC3)cc2)nc1 521089490 QDRZJIBYDBBFAO-UHFFFAOYSA-N 448.320 5.317 30 20 IKED N#Cc1cccc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3OC(F)F)cs2)c1 522052531 KUTQAQNSYZYOPG-UHFFFAOYSA-N 437.374 5.137 30 20 IKED CCOCCOc1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 522121615 LWTMODYFFNPVKN-JOCHJYFZSA-N 434.923 5.663 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@H]3CCC[C@@H]3c3ccccc3)s2)cc1 523632056 VHQTVTJCLIECFY-MOPGFXCFSA-N 435.578 5.160 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1 523879330 DBVQWTUSZVGNMI-UHFFFAOYSA-N 431.879 5.148 30 20 IKED COc1c(Br)cc(Cl)cc1NC(=O)[C@H](Oc1ccccc1C#N)C(C)C 524429928 FWWXJFQXRNXJSE-QGZVFWFLSA-N 437.721 5.025 30 20 IKED CC(C)(C)c1noc2ncc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc12 524430868 LTHKKQKFHIAYRO-CYBMUJFWSA-N 438.459 5.412 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3F)ccc21 524539682 OBQQOYJZKIWTIZ-UHFFFAOYSA-N 433.327 6.046 30 20 IKED Cc1nc(SCc2nnc(-c3ccc(C#N)cc3)o2)n([C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C 525110702 GDDVMKQLQAKXQW-GKBFQHABSA-N 433.581 5.711 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H](C)c1cccc(C(F)(F)F)c1 532490924 PCTIXQYIVJCKNT-JKSUJKDBSA-N 435.515 5.731 30 20 IKED C[C@@H](C#N)CN(C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)C1CC1 532819210 YFJYLZSDZROMRO-JTQLQIEISA-N 425.398 5.516 30 20 IKED Cc1cc(-c2noc(CN[C@@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)n2)ccc1F 537218465 CTQMMKPEZICVKT-INIZCTEOSA-N 433.327 5.596 30 20 IKED COCCn1ccc2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc21 537828999 BAUGLHJHAYOMDQ-UHFFFAOYSA-N 441.556 5.704 30 20 IKED O=C1CCCN1C[C@@H](NCc1ccc(F)cc1C(F)(F)F)c1cccc(C(F)(F)F)c1 538335680 MJPDLRWOCHORHT-GOSISDBHSA-N 448.382 5.317 30 20 IKED Cc1ccc(-n2c(SCCCC3(C#N)CCOCC3)nc3ccccc3c2=O)c(C)c1 538410608 CGYTYHGJQJHEBJ-UHFFFAOYSA-N 433.577 5.195 30 20 IKED C[C@H](NC(=O)NCc1nnc(-c2ccccc2)s1)c1ccc(-c2cccc(C#N)c2)cc1 542080401 FZWCZIKPYHVGOD-KRWDZBQOSA-N 439.544 5.304 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NCc2nnc(-c3c(Cl)cccc3Cl)o2)n1 542934269 JNLNQFUWGUBHAD-UHFFFAOYSA-N 445.697 5.366 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc(Cl)ccc2SC2CCCC2)n1 543573596 DHLOHFXEGHALQG-HNNXBMFYSA-N 434.970 5.498 30 20 IKED C[C@@H](C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1cccnc1 544011464 BEFZQLPUXGUZHS-OTYXRUKQSA-N 444.297 5.643 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2sc(-c3ccccc3)nc2C)cc1C 544066059 JEOUQDHRSCUCPW-UHFFFAOYSA-N 441.560 5.765 30 20 IKED C=CCN(C(=O)c1cc(C)nnc1CC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 544678277 RBZHAZAFHCYBNZ-UHFFFAOYSA-N 433.364 5.611 30 20 IKED COc1ccc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(Br)c1O 546173220 PMPLTKJCKKDWQH-HNNXBMFYSA-N 437.337 5.553 30 20 IKED Cc1c(C(=O)Nc2ccc(F)cc2I)sc2ccc(C#N)cc12 551453025 CFFZMGYSECGKMO-UHFFFAOYSA-N 436.249 5.077 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3ccc(CSc4ccccc4)cc3)CC2)c(F)c1 557119918 AFTPPFNWNCBEOV-UHFFFAOYSA-N 446.547 5.673 30 20 IKED CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 564619703 RTXFHPMZODBBFD-UHFFFAOYSA-N 434.477 5.408 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3OC(F)(F)F)cc2)ccn1 568456066 OAHTXZBTDPZDAY-VQTJNVASSA-N 439.393 5.386 30 20 IKED Cc1ccc(CN2CC[C@H](CN(C)C(=O)c3ccccc3-c3ccccc3C#N)C2)s1 581147899 VCTRMFHMFKZCDH-HXUWFJFHSA-N 429.589 5.189 30 20 IKED CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C#N)cc1C(F)(F)F 581162711 AKBJNUWTGJZMMK-UHFFFAOYSA-N 443.391 5.445 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c23)cc1 589940849 PAKJYICIWLCTPB-UHFFFAOYSA-N 445.479 5.166 30 20 IKED Cc1nc(OCC(=O)Nc2c(C(C)C)cccc2C(C)C)c(Br)cc1C#N 590587924 IRMLGYMAUJYRPT-UHFFFAOYSA-N 430.346 5.289 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cnc2onc(C(C)C)c2c1 603532962 IMJNAWOYFPUCPB-UHFFFAOYSA-N 428.467 5.512 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603622253 PONAISWYADINRU-UHFFFAOYSA-N 448.841 5.754 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(COc3ccccc3)cc2)cc1 604003907 LVQHUCCPONPQQY-UHFFFAOYSA-N 448.522 6.163 30 20 IKED CCNC(=O)c1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 604089477 BEPGJSPLEWMHTE-UHFFFAOYSA-N 448.910 5.075 30 20 IKED CCOc1cc(N[C@H](C#N)Cc2ccccc2)c(OCC)cc1NC(=O)c1ccccc1 604555169 JNWLBTJWRAMNFM-NRFANRHFSA-N 429.520 5.283 30 20 IKED Cc1c(C(=O)Nc2ccccc2SCCC#N)cnn1-c1cccc(C(F)(F)F)c1 609375579 BWVYQAJMNZHXSU-UHFFFAOYSA-N 430.455 5.458 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC1(c2ccc(Br)cc2)CCC1 609399426 WDKLQVFOHNTLBT-OAHLLOKOSA-N 444.398 5.902 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)CSc2nccn2-c2ccc(C(F)(F)F)cc2)cc1 609515259 UOSPFMAINNVLGO-UHFFFAOYSA-N 444.482 5.423 30 20 IKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc(OC4CCCCC4)cc3)CC2)cc1 609721780 SRKGFWQNWKYGPL-UHFFFAOYSA-N 432.568 5.010 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(CSC4CCOCC4)c3)c2)cc1 609991796 UHQPKXFYTDCZNI-UHFFFAOYSA-N 443.572 5.966 30 20 IKED C[C@H](CC(=O)N[C@H](C#N)c1ccccc1Br)c1cccc(C(F)(F)F)c1 609993911 BZKOVQGYTVSLIJ-SJKOYZFVSA-N 425.248 5.343 30 20 IKED C[C@@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)c1ccccc1-c1ccc(Cl)cc1 610068924 ZHGWXSVUADBQNK-MRXNPFEDSA-N 441.922 5.138 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](c4cccc(Cl)c4)C3)cn2)cc1 613460952 ISNHRWITMZXISQ-NRFANRHFSA-N 434.883 5.004 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)c(Cl)c1 617801940 BXEWQZBSOPXPJP-AWEZNQCLSA-N 429.332 5.437 30 20 IKED Cc1sc([C@@H](C)NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)nc1-c1ccc(Cl)cc1 618820666 FCTHEIQBKANOSE-ZUOKHONESA-N 436.968 5.691 30 20 IKED C=C(C)CN(CC)C(=O)[C@H](C)Sc1nnc(-c2ccccc2Cl)n1C1CCCC1 661571473 FFZWFWRZCKWIIL-INIZCTEOSA-N 433.021 5.619 30 20 IKED CC(C)[C@H](NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(Cl)cc1F 679765779 QVZUAYKVXSLRQH-OBJOEFQTSA-N 434.783 5.558 30 20 IKED Cc1cc(C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c(C)nn1 680005393 QUBHKIQMMHUCBC-CYBMUJFWSA-N 445.285 5.164 30 20 IKED CC(C)(CNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1cccc(Cl)c1F 681095238 PAVQMWIYPPAVHP-QWRGUYRKSA-N 434.783 5.139 30 20 IKED O=C(N[C@@H]1CC[C@H](c2cccc(F)c2)C1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 684421880 ULEWNHOFEUFNAZ-TTZDDIAXSA-N 426.376 5.234 30 20 IKED N#C[C@H](COC(=O)c1oc2ccccc2c1CSc1ncccn1)Cc1ccc(F)cc1 726330104 YOEUKJKHLLNEKP-QGZVFWFLSA-N 447.491 5.193 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl 727223881 AKJPTOOYPGFFGS-GOSISDBHSA-N 448.419 6.287 30 20 IKED Sc1nnc(-c2ccccc2Br)n1N=Cc1cnc(-c2ccccc2)s1 727255995 GFLCPFZYYCLRBC-UHFFFAOYSA-N 442.367 5.002 30 20 IKED N#C[C@@H](C(=O)C1CCN(c2nc3ccccc3s2)CC1)c1nc(-c2ccccc2)cs1 727627441 GBWFTSKWDISLST-SFHVURJKSA-N 444.585 5.513 30 20 IKED CCc1cccc(C)c1NC(=O)CNc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728052437 IAENWPNKVBZYRJ-UHFFFAOYSA-N 433.939 5.712 30 20 IKED N#C[C@@H](C(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(=O)Nc1ccc(SC(F)F)cc1 728763645 VLASRXDGAZTGNS-HOTGVXAUSA-N 442.409 5.385 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)C[C@H](c1ccccc1)C(F)(F)F 728766586 CNJKQODOFYHIQX-HUUCEWRRSA-N 438.833 5.041 30 20 IKED N#Cc1cccc(COc2ccc(N[C@@H]3CCN(c4ccccc4Cl)C3=O)cc2F)c1 732229221 WTAAXGLRFUQMPW-OAQYLSRUSA-N 435.886 5.147 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1cccc(Br)c1 733080938 HBJIMGBKUYZHIY-UHFFFAOYSA-N 436.235 5.156 30 20 IKED C=CC[C@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccncc1 734362081 YNTYSOYKGFYYSP-DEOSSOPVSA-N 442.950 5.564 30 20 IKED CSc1ccc(O[C@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 741111328 KJHFTJLYKSYYSB-UTKZUKDTSA-N 446.528 5.316 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c(C)c1 743131038 FDXWEEMWPYYFRA-KRWDZBQOSA-N 438.597 5.362 30 20 IKED C[C@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1nc(-c2ccc(Cl)cc2)no1 743150050 PGRIPOYIHSENNM-INIZCTEOSA-N 443.894 5.068 30 20 IKED C[C@H](c1cccs1)N(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)Cc1ccccc1 746156386 JZMNUFFXGHAIMA-WIYYLYMNSA-N 438.556 5.549 30 20 IKED CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCCCC1 746778664 PUCIZBMIJUNORE-QFIPXVFZSA-N 433.552 5.508 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1Br 747109060 UTIRZHUIMNMTAT-AWEZNQCLSA-N 439.281 5.033 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1C#N 752303856 CHSDPZHWLHKOID-UHFFFAOYSA-N 431.496 5.019 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)cc1C#N 752306172 VKARMJIXKGJKON-MRXNPFEDSA-N 429.480 5.071 30 20 IKED N#Cc1ccc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)cc1C(F)(F)F 755817590 YREMRTHLOFVVCB-LJQANCHMSA-N 445.466 5.406 30 20 IKED CC(=O)Nc1ccc(C(C)=NO[C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 757614842 MZGOJWSRHDJTHM-GFCCVEGCSA-N 433.295 5.504 30 20 IKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)Nc3ccc(F)cc3OCC#N)c2)c1 761668006 HRUATFZJNQDSTL-UHFFFAOYSA-N 447.470 5.002 30 20 IKED CCOc1ccc(-n2c(SC[C@@H](O)c3ccc(C#N)cc3)nnc2-c2ccccc2)cc1 763232607 PRIAJUQVSUXVMC-HSZRJFAPSA-N 442.544 5.030 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3Cc4ccc(Br)cc4C3)cc2)cc1 765164144 XXTDXUSUYXLJDU-UHFFFAOYSA-N 434.293 5.661 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 767750613 IWLJNYPPMSQVFT-CQSZACIVSA-N 425.357 5.200 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 774046029 IKVWUXLZZSWRJA-GOSISDBHSA-N 441.812 5.673 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)c1 775974522 KMDWRLPLIMCCLZ-FUHWJXTLSA-N 425.838 5.124 30 20 IKED CCOc1ccc(-n2c(-c3cccs3)nn(CN3CCC(CC#N)CC3)c2=S)cc1 781570730 BPLSCMOOXNLXCF-UHFFFAOYSA-N 439.610 5.114 30 20 IKED C[C@H](NC(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1)c1ccc(-c2cccc(C#N)c2)cc1 782572600 OYKJUBMHCYAAKE-UXHICEINSA-N 440.547 5.333 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@H](c2ccccc2Br)C1 789460832 WMXIXCJPUAPAPL-NRFANRHFSA-N 443.385 5.906 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2cc(Br)c(Cl)s2)S1 790102031 WVLOBUIYFHWLJC-KPKJPENVSA-N 427.776 5.672 30 20 IKED CC(C)(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccsc2)[n+]2ccccc2)C=C1 790118538 WLKNZQDQOIIMRX-UHFFFAOYSA-O 438.598 5.155 30 20 IKED N#C[C@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1nccc2ccccc12 792101253 GIONSUQLECWUQH-MRXNPFEDSA-N 425.435 5.672 30 20 IKED Cc1c(-c2ccccc2)oc2c(C(=O)[C@H](C#N)c3cnc4ccccc4n3)cccc2c1=O 792111174 RZNDMNIAZKKZDF-HXUWFJFHSA-N 431.451 5.202 30 20 IKED N#CCOc1ccc(Cl)cc1CN[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 792930364 FOUHPKBXZWNJEP-NRFANRHFSA-N 438.877 5.519 30 20 IKED COc1cccc(NC(=O)[C@H](OC(=O)C[C@H](CC#N)c2ccccc2)c2ccccc2)c1 795987912 FALBOMVLIZYWHF-SQJMNOBHSA-N 428.488 5.006 30 20 IKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)c1 837383679 OXCLGUCSUVTBGV-XMSQKQJNSA-N 444.560 5.112 30 20 IKED CC(C)n1ncc2cc(C=Nn3cnnc3SCc3ccc(Cl)cc3)c(Cl)nc21 874092518 VCQBSLRFIQUNMD-UHFFFAOYSA-N 446.367 5.085 30 20 IKED CC(C)(C)OC(=O)N[C@H](CCCCC#N)c1nc(-c2ccc(N3CCCCC3)cc2)no1 904612208 MBOGXFOFZLSUJZ-HXUWFJFHSA-N 439.560 5.377 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(I)c2)cc1 915085814 FFMMNQSZWODOTL-FQEVSTJZSA-N 438.268 5.199 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915086203 HYERWVHNJFGPRK-HSZRJFAPSA-N 427.504 5.941 30 20 IKED CC(=O)N/C(=C/c1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 916056822 IPWTXQAMHKYLGJ-YQNSVDCASA-N 429.907 5.111 30 20 IKED COc1ccc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)cc1OCC(C)C 916309229 CSWBAJZYRZNOOY-UHFFFAOYSA-N 447.560 5.359 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3cccc(Br)c3)n2)cc1 916650298 BHOHWBUUMJGMLN-GOSISDBHSA-N 425.351 5.690 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc2ccc(F)cc2s1 916907369 YEPIJCRQKVRFCV-GOSISDBHSA-N 430.460 5.794 30 20 IKED CSCc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)oc2ccccc12 916927404 ITMRUSODLSMCGQ-CYBMUJFWSA-N 433.316 5.564 30 20 IKED Cc1cccc(-c2nc(CC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cs2)c1 916976948 YCUMYHHNFYBZDV-IBGZPJMESA-N 449.988 6.314 30 20 IKED CN(CCC#N)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2Cl)cc1 917501808 PSOCCLSJLPLWTB-QHCPKHFHSA-N 434.902 5.600 30 20 IKED COc1ccc2cc(C(=O)/C=C/c3csc(N(C(C)=O)c4ccc(F)cc4)n3)ccc2c1 917561764 MXJGVPZDRWKYMT-XYOKQWHBSA-N 446.503 6.025 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)NCCCN1c2ccccc2Sc2ccccc21 918213146 FWSKKXYQUDSFHP-UHFFFAOYSA-N 428.561 5.393 30 20 IKED Cc1sc2ncn(N=Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)c(=O)c2c1C 918709399 IBZNTDKOHGTREP-UHFFFAOYSA-N 434.468 5.099 30 20 IKED CN(Cc1csc(Br)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 920060047 IVRFBSVMTGQDCI-IBGZPJMESA-N 440.366 5.830 30 20 IKED COCCCCN(Cc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 920060053 JAIPQFYOHPINEA-AREMUKBSSA-N 427.548 5.803 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 921011440 WMQMQUJVJULEPG-UHFFFAOYSA-N 442.906 5.810 30 20 IKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)OCC(=O)Nc1ccc(CC#N)cc1 921249502 IDEKNXUCONYVLK-UHFFFAOYSA-N 449.510 5.001 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 1585609875 JWJTXSFOFYQKJS-AZUAARDMSA-N 443.547 5.226 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3c[nH]c(C(C)(C)C)c3)cc2)CCC1)C(F)(F)F 1787041528 ZSSHQEWSYZPFDO-UHFFFAOYSA-N 433.474 5.178 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)/C=C/c4cc5ccccc5o4)cc3)CCC2)CCC1 1789117361 KHUUDRCAXAGQHY-VAWYXSNFSA-N 439.515 5.274 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc2)CCC1)C(F)(F)F 1791534086 RJRLNDHBNJACGP-VQTJNVASSA-N 428.454 5.043 30 20 IKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)C4CCCC4)CCC3)cc2)cc1C#N 1792168342 OKSCBYUXWNQBBS-UHFFFAOYSA-N 445.563 5.283 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C(C)=C/c2ccc(C)o2)[C@@H]1c1cccnc1 1802500484 YETNZFIJNJIIBC-RWTLANGKSA-N 449.595 5.085 30 20 IKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3cccc(Cl)c3C)C2)CC1 1805095182 IZLXTRWTTRXGGG-UHFFFAOYSA-N 429.004 5.262 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)cc(OC)c2)n[nH]1 1821015619 VJTMDEFHQQJWEO-OAQYLSRUSA-N 438.572 5.025 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCn2cccc2)CC1 1824143532 RABARZWJSOJACO-RUZDIDTESA-N 439.644 5.047 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ncccc3c2)CC1 1828030684 JRYAYDUPUSXLLT-SANMLTNESA-N 445.607 5.237 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cccc3c1oc1ccccc13)C2 1844204333 ONYYYIRYSJQTTF-LJQANCHMSA-N 428.532 5.171 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2cccc(C)c2C)cc1 10167953 OJLBQJZXBZVADS-UHFFFAOYSA-O 434.629 5.550 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc([N+](=O)[O-])cc1)=C(/S)Nc1ccc(C)c(C)c1 11160126 YTAVLPYEEDRAKB-UHFFFAOYSA-O 434.541 5.112 30 20 IKED CCc1cccc(C)c1/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S1 16939020 NSHMTBVMXKGTEP-INIZCTEOSA-N 436.364 5.112 30 20 IKED C[C@@H]1CN(Cc2csc(/N=C(\O)c3cc4c5ccccc5n(C)c4s3)n2)C[C@@H](C)O1 22297045 LEWYLLKTDPNFLZ-ZIAGYGMSSA-N 440.594 5.095 30 20 IKED C=C(C)CN/C(S)=C(/C(=O)c1ccc(Cl)cc1Cl)[n+]1ccc(C(C)(C)C)cc1 22795148 DYHLULUMSFFCKR-UHFFFAOYSA-O 436.428 5.683 30 20 IKED Cc1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cnn1-c1ccc(F)cc1F 32291527 SOLVVKCMLINCHZ-UHFFFAOYSA-N 444.441 5.162 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c[nH]cc2-c2ccc(Cl)s2)cc1 64027819 VSYNZUMHFJIETF-UHFFFAOYSA-N 425.941 5.463 30 20 IKED C=CCc1cc(CNC(=O)Nc2ccc(C)cc2OCC(F)(F)F)cc(OC)c1OC 65373851 XXNUULJEISCSNM-UHFFFAOYSA-N 438.446 5.004 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCC(=O)c1ccc(CC(C)C)cc1 71998995 QMBVGTVJFLAFIS-UHFFFAOYSA-N 441.531 5.854 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1 110899107 BQSUJPSEHZIKTI-UHFFFAOYSA-N 438.940 5.129 30 20 IKED COc1cccc(-c2noc([C@@H](C)NCc3cccc(OCc4ccccc4C#N)c3)n2)c1 237577812 CNQSHEINESIIME-GOSISDBHSA-N 440.503 5.047 30 20 IKED N#CCCn1cc(CNCc2ccc(Oc3cccnc3)c(F)c2)c(-c2ccccc2)n1 237853216 ITOLDDKZBNWCTO-UHFFFAOYSA-N 427.483 5.080 30 20 IKED C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 303479832 SSBZCTUDUHOJAE-LEOXJPRUSA-N 429.564 5.210 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 409811466 LLGNZYSLQIXMNH-CLOONOSVSA-N 427.504 5.653 30 20 IKED COc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)ccc1OC1CCCC1 410211839 UVUFYRPVKKIIST-UHFFFAOYSA-N 433.533 5.188 30 20 IKED CC(F)(F)c1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 432919276 TVRWBTLHDCEZDI-UHFFFAOYSA-N 435.474 5.765 30 20 IKED CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 437037700 CLNUFSBORBQNRM-NRFANRHFSA-N 443.522 5.084 30 20 IKED CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)s1 437520776 ZNILMGRRFKZWGC-CQSZACIVSA-N 425.583 5.158 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 441143592 SRBXMZCBPJZGLK-QHCPKHFHSA-N 441.922 5.380 30 20 IKED CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1 443892144 QPKLVLWNCZTCCG-UHFFFAOYSA-N 437.849 5.857 30 20 IKED Cc1ccc(C)c(-c2csc(NC(=O)Cc3noc(/C=C/c4ccc(C#N)cc4)n3)n2)c1 445416660 GWIYTVMATTZWPG-MDZDMXLPSA-N 441.516 5.033 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3Cc4ccc(O)cc4C4(CC4)C3)c2)cc1 463515634 LYQWEDPAIWGHJI-UHFFFAOYSA-N 439.515 5.117 30 20 IKED CCO[C@H](C)c1nc(CN(C)C(=O)c2ccccc2Sc2ccccc2C#N)cs1 463978202 CZJAPZTWEVYSOC-MRXNPFEDSA-N 437.590 5.536 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc1OCC 464416793 KNMLLFLOAGTLHY-CQSZACIVSA-N 426.822 5.431 30 20 IKED C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F 467995350 PMCSAVSOVXSGKW-GGZOMVNGSA-N 438.290 5.171 30 20 IKED C[C@H](Nc1ccccc1SC[C@H](C)C#N)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 471384182 XRVAHRJIOBMXGB-OLZOCXBDSA-N 433.364 6.468 30 20 IKED C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)C[C@@H](CC#N)c1ccccc1 475644523 LSIBXLRISOYWSC-NVAPDCRFSA-N 429.383 5.436 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1c[nH]c2cc(Br)ccc12 481798291 UZJZLBIXSIZWQR-CYBMUJFWSA-N 428.355 5.506 30 20 IKED C=C(C)[C@H](NC(=O)N[C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1)c1ccc(F)c(F)c1 483199958 OKJKKAQNYQUANR-YRUKQIKQSA-N 444.522 5.207 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4nc(-c5ccccc5)oc4c3)n2)cc1 483514248 QZXCTIYPOVZDGT-FQEVSTJZSA-N 446.491 5.980 30 20 IKED Cc1nc2cc(Cl)c(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)cc2s1 484672441 OPOJVIFZENYQGT-UHFFFAOYSA-N 449.967 5.904 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)cc2)nc1 484722719 AALNRAVDQVRRDI-UHFFFAOYSA-N 433.880 5.170 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)nnc1-c1ccccn1 488903634 SEWLGIBZWUAQDC-ROUUACIJSA-N 443.576 5.037 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)nnc1-c1ccc(C)cc1 489663305 DATXBBCLYBJHPW-OAHLLOKOSA-N 442.972 5.221 30 20 IKED Cc1c(C(=O)Nc2cccc(S(=O)(=O)C3CCCCC3)c2)sc2ccc(C#N)cc12 491481866 PABIQLQZTSIKNH-UHFFFAOYSA-N 438.574 5.440 30 20 IKED C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1nc(-c2ccccc2)cs1 501355200 VZEGVLSZKYFNLS-LJQANCHMSA-N 425.557 6.112 30 20 IKED CCOc1ccc(NC(=O)c2ccc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cc2)cc1 504546156 DMOBKDBJRXRGOM-UHFFFAOYSA-N 443.478 5.019 30 20 IKED N#C[C@@H](NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccc(Cl)c(Cl)c1 505964716 DTYFHGZWLCWZGV-HXUWFJFHSA-N 442.277 5.379 30 20 IKED CCN(C(=O)NCC#Cc1ccccc1)[C@@H]1CCSc2ccc(Br)cc21 508110042 BUJADCFTJGVFET-LJQANCHMSA-N 429.383 5.069 30 20 IKED C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCC(c2nc3ccccc3[nH]2)CC1 508937174 VXMXTGIWCGALIC-UHFFFAOYSA-N 444.608 5.325 30 20 IKED Cc1ccccc1CN1CCC(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 510522459 HYTQTQYTJGTVSK-UHFFFAOYSA-N 440.547 5.445 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@](CO)(c3ccccc3)C2)cc1 513908770 DMHOAJHYFSWVAP-MHZLTWQESA-N 442.584 5.017 30 20 IKED N#C[C@@H](C(=O)c1ccccc1OCCOc1ccccc1)c1nc2ccccc2n1C(F)F 515539261 LKXNFBZPKVAUCN-IBGZPJMESA-N 447.441 5.379 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)o1 515653598 DDQQUBNTHNAYRT-UHFFFAOYSA-N 442.393 5.222 30 20 IKED COc1ccc(C(C)(C)CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1OC 517985480 NVJSBTHPOVFCRD-UHFFFAOYSA-N 430.504 5.075 30 20 IKED C=CCn1c(SCC(=O)N2CCC[C@@H]2C(C)C)nnc1-c1ccc(Cl)cc1Cl 518856181 KADMFDQMINOOTA-QGZVFWFLSA-N 439.412 5.177 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1-c1ccccc1F 520432243 UZQCFBMCUPJXCA-CYBMUJFWSA-N 438.434 5.212 30 20 IKED Cc1cc(-c2ccccc2)ccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 520633313 RFQWOGSHTYOSMB-UHFFFAOYSA-N 429.495 5.748 30 20 IKED CC[C@@H](c1ccccc1)N(CC)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 521859809 TXWKCZWSVWSQOZ-IBGZPJMESA-N 437.594 5.707 30 20 IKED N#CCC[C@@H](C#N)CN1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 522137927 MPZHUUNTIFETCX-SFHVURJKSA-N 427.379 5.144 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 522451259 IOSISSJHEPIXSH-WJOKGBTCSA-N 429.545 5.086 30 20 IKED CC[C@H](c1ccccc1)c1nnc(S[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)o1 524311931 QRIJWKWAPJGWIG-MGSYBHFQSA-N 426.586 5.023 30 20 IKED COc1cc(CN(C)C(=O)Nc2ccccc2SC[C@H](C)C#N)c(SC)cc1OC 525516590 YNQFBOJBHBEAPE-OAHLLOKOSA-N 445.610 5.341 30 20 IKED N#Cc1cccc(-c2nnc(CSc3ncnc4scc(-c5ccc(F)cc5)c34)o2)c1 525625301 XCDBWSLZTAXNGU-UHFFFAOYSA-N 445.504 5.711 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(OC3CCOCC3)cc2)cc1Cl 525675284 VIAFUAFRFXALHC-XMMPIXPASA-N 446.934 5.806 30 20 IKED C[C@H](NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccc(OCc2cccnc2)cc1 531230066 IMFLDTYKECMWHN-XZZVZQAVSA-N 440.547 5.203 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2nc(O)c3ccc(Cl)cc3n2)cc1 533029644 PCLXVSKEDGKECD-UHFFFAOYSA-N 432.886 5.202 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(C(F)(F)F)cc3)n2)nnc1-c1cccnc1 533715843 ARJLLFCNZOMOPG-UHFFFAOYSA-N 443.454 5.492 30 20 IKED C=C[C@@H](CC(=O)N[C@H](C)c1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1 535431989 DQTAOTPNMVJPNV-MSOLQXFVSA-N 440.590 5.086 30 20 IKED CC(C)Cn1ncc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1C(F)F 536243564 KWRDOUBLJFTIQN-UHFFFAOYSA-N 440.469 5.330 30 20 IKED CC[C@@H](C)n1ncc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1C1CC1 536478154 CUZIXBNAQXRLGG-OAHLLOKOSA-N 433.487 6.179 30 20 IKED Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 536918617 YXGVOBNWZHQYIW-UHFFFAOYSA-N 426.520 5.450 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)C2CC2)cc1 543287496 VLEJKWHYRVUQNE-UHFFFAOYSA-N 439.541 5.038 30 20 IKED C[C@@H](NC(=O)c1ccc(OC2CCOCC2)cc1)c1ccc(-c2cccc(C#N)c2)cc1 543857190 YFIHNLCCRITDNO-LJQANCHMSA-N 426.516 5.274 30 20 IKED C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(C#N)CC2)n1CCc1ccccc1 549178160 KKQWDHOMIIELAG-GOSISDBHSA-N 435.959 5.054 30 20 IKED CC(C)(C#N)c1ccccc1CNC1(Cc2ccc(F)cc2Br)CCOCC1 555546253 WSSMHLGGRLOKLX-UHFFFAOYSA-N 445.376 5.271 30 20 IKED CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 557660007 BWQZTFZQWBBOQZ-UHFFFAOYSA-N 448.460 5.355 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 561229848 ZIWPFSOYYYFXDG-UHFFFAOYSA-N 427.850 5.081 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)Cc3csc(-c4cccc(F)c4)n3)cc2)ccn1 581043710 ZFTXNGIHBJAKFY-UHFFFAOYSA-N 430.464 5.189 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1C#N 591764392 ICMXJAUEUQGLHB-UHFFFAOYSA-N 443.532 5.449 30 20 IKED C[C@H](Sc1n[nH]c(/C=C/c2ccccc2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 598953237 NRDUZBOKUXSYHO-LHNRBYRGSA-N 449.605 5.296 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cn3cc(Cl)ccc3n2)cc1 602341910 MDEYRXNFOQHOCT-UHFFFAOYSA-N 432.936 5.082 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4c[nH]c5ccccc45)CC3)cn2)cc1 603689853 BEUBWXXRROXNTB-UHFFFAOYSA-N 437.503 5.638 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN(Cc2ccc(C#N)cc2)C(C)C)cs1 608788694 NUPURFKYFSFGSJ-UHFFFAOYSA-N 432.593 5.727 30 20 IKED Cc1ccccc1OCCCC(=O)Nc1ccc(CNc2ncc(C#N)cc2Cl)cc1 608886035 MVCPKFGORWXJTG-UHFFFAOYSA-N 434.927 5.325 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](COc1ccccc1F)c1ccccc1 608918087 COEUDEZKRNALMQ-XMMPIXPASA-N 431.511 5.438 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc2c(c1)OCCCO2 608995443 QDQZYKYKZRVSNZ-UHFFFAOYSA-N 429.476 5.142 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 609031789 MFSSDQKMCWEARA-MSOLQXFVSA-N 438.314 6.103 30 20 IKED COc1cc(Br)cc(C)c1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 609058246 IKZTYNDGUAHLQX-UHFFFAOYSA-N 441.281 5.062 30 20 IKED CCCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2CC)c1cc(Cl)ccc1C#N 609286622 ZHCICOIFAIFOMV-UHFFFAOYSA-N 443.938 5.700 30 20 IKED COCc1cc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)ccc1F 609355744 VCLAPKLKSQHTGD-UHFFFAOYSA-N 433.483 5.053 30 20 IKED COc1ccccc1NC(=O)c1ccc(NC(=O)CCCCOc2cccc(C#N)c2)cc1 609496966 GCACELKMJOWKSB-UHFFFAOYSA-N 443.503 5.007 30 20 IKED N#Cc1cccc(OCCCCC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 609499544 LBEKCTSZPFNARP-ZSHCYNCHSA-N 436.396 5.133 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3c(F)cc(F)cc3-c3ccccc3)c2)cc1 609642702 DJFIMMRBIUOHDF-UHFFFAOYSA-N 440.449 6.335 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1 609722949 PZGIKQHZUCOLBZ-UHFFFAOYSA-N 431.879 5.148 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1 610172823 HDXFKDXEEZYFMZ-UHFFFAOYSA-N 441.531 5.574 30 20 IKED Cc1cccc(CC2CN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)C2)c1 610629160 IVOXTUAZABKGLS-UHFFFAOYSA-N 425.532 5.347 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CCCc4cn(C5CCCC5)nc43)cn2)c1 611556216 FJGNZNIVXUNPBI-JOCHJYFZSA-N 442.523 5.256 30 20 IKED N#C[C@@H](C(=O)c1ccccc1NC(=O)c1cccs1)c1nc2cc(Cl)ccc2s1 613407416 SDNIOWHDXSCFNU-AWEZNQCLSA-N 437.933 5.754 30 20 IKED C[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1nc(-c2ccc(Br)cc2)cs1 614184689 CQIOIZYJQKCEST-HNNXBMFYSA-N 440.410 6.225 30 20 IKED N#CCn1c(C(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc2ccccc21 616172791 RDOPQUGHGQMGRW-QFIPXVFZSA-N 427.483 5.061 30 20 IKED N#C[C@H](C(=O)c1occc1COc1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 642282180 RJBLZBLVSIPABM-MRXNPFEDSA-N 442.418 5.977 30 20 IKED CC1(C)C[C@H](NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c2ccc(F)cc2O1 675878687 CXPBSGVNJOOCLR-MJVIPROJSA-N 442.375 5.200 30 20 IKED O=C(c1csc(-c2ccc(F)c(F)c2)n1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 679467399 JMFSBOFSCORJRB-NXEZZACHSA-N 444.347 5.291 30 20 IKED O=C(N[C@@H]1CC[C@H](c2cccc(F)c2)C1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 684421873 ULEWNHOFEUFNAZ-DSJMHWKBSA-N 426.376 5.234 30 20 IKED N#Cc1cccc(COc2ccc(N[C@H]3CC(=O)N(c4cccc5ccccc45)C3=O)cc2)c1 728061826 AGFBTKLVIJBNRP-VWLOTQADSA-N 447.494 5.034 30 20 IKED Cc1cc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)c(C)n1-c1ccc(C#N)cc1 728270648 NIZIHIKBRHLDCW-UHFFFAOYSA-N 430.508 5.565 30 20 IKED COc1cccc(C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)c2ncc[nH]2)c1 729240461 NFXDAYSOPKYNSP-HZHRSRAPSA-N 440.499 5.429 30 20 IKED Cc1csc(SCc2ccc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2)n1 729416600 RAVSDFQAUIQKQX-UHFFFAOYSA-N 449.601 5.299 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 731332904 VBXXDBQEFUKITA-MRXNPFEDSA-N 425.554 5.609 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 732708985 WNJPOLKNJYKIJG-IBGZPJMESA-N 430.410 5.752 30 20 IKED CC(C)OC(=O)C[C@H](/N=C/c1cc(Cl)cc(Cl)c1O)c1ccccc1[N+](=O)[O-] 732772334 XLLQKDYWUZOIRS-CPHRPENTSA-N 425.268 5.109 30 20 IKED COc1cc(C[S@@](=O)Cc2ccc(CC(C)C)cc2)ccc1OCc1cccc(C#N)c1 735167825 AHNFQJIOOBYDJG-YTTGMZPUSA-N 447.600 5.793 30 20 IKED CC(=O)C1=C(c2ccc(C)cc2)N(Cc2ccccc2)C(=O)N[C@H]1c1sc(C)nc1C 736534304 FWACIFPKYLYNSL-JOCHJYFZSA-N 431.561 5.335 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 739153342 ASFNXVWSZOUGLM-FOIQADDNSA-N 430.470 5.356 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740483866 YKPVYABBBXPIIV-UHFFFAOYSA-N 432.505 5.093 30 20 IKED C=CCOc1ccc(/C=C2\SC(=S)N([C@@H]3CCOc4ccccc43)C2=O)cc1Cl 743283536 BYGCTDAFBASRKQ-VJOZSWGJSA-N 443.977 5.630 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1 744015823 DOXSYJHKCKZKBY-LJQANCHMSA-N 440.503 5.320 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)n1 747195866 AXBBHPWVGIWVPL-FFQNAWCLSA-N 441.984 5.191 30 20 IKED C=CCc1cc(CNC(=O)N(CC)Cc2ccc(C(F)(F)F)cc2)cc(OC)c1OC 747991844 HPCYPBLQUVCSPD-UHFFFAOYSA-N 436.474 5.183 30 20 IKED CCCCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 748443188 LGOSZMDRQJQRML-OAQYLSRUSA-N 448.567 5.291 30 20 IKED O=[N+]([O-])c1cc(C=NOCc2coc(-c3ccc(Cl)cc3)n2)ccc1N1CCCC1 749355821 UAWOHQGGOVESFE-UHFFFAOYSA-N 426.860 5.054 30 20 IKED C=CCC[C@H](NC(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccc(C(F)(F)F)cc1 749818936 JCDOMYZIUJDRDJ-YWZLYKJASA-N 445.485 5.292 30 20 IKED C=CCOc1ccc(C(=O)c2ccccc2)c(OC(=O)Cc2nc(-c3ccco3)oc2C)c1 750392785 SRHVFYDJOWFPGX-UHFFFAOYSA-N 443.455 5.187 30 20 IKED COc1ccc(/C=C(\C)C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F 754106564 ZZHHBFDFGBAUKC-KOOLHJLFSA-N 427.360 5.263 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(COC(=O)c2ccc(Cl)c(C#N)c2)cs1 754909012 PSFURIAWBIIFHB-UHFFFAOYSA-N 446.315 5.363 30 20 IKED C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 755641764 WMBJVJAZHCAPDB-RZXPCSSPSA-N 425.416 5.276 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2C)cs1 756778926 ZTUXFHQCMNIHKN-FLIBITNWSA-N 425.441 5.080 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1 758286792 VLKISTGSDCROBE-UHFFFAOYSA-N 431.496 5.063 30 20 IKED C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 760200600 KODAEKHTFWTCDW-IUODEOHRSA-N 444.890 5.827 30 20 IKED C=CC(=O)Nc1cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)ccc1F 761826068 XGBOPXVAJOLFBA-UHFFFAOYSA-N 435.842 5.520 30 20 IKED COc1ccc2c(c1)c(C(=O)N1CCO[C@@H](c3cccc(C#N)c3)C1)c(C)n2C1CCCC1 762314029 ZKKKLRYFRYJSIT-RUZDIDTESA-N 443.547 5.159 30 20 IKED N#C[C@@H](C(=O)CCCOc1ccc2c(c1)OCO2)c1nc(-c2ccc(Cl)cc2)cs1 766258758 JJVHLKSGVNDOFR-KRWDZBQOSA-N 440.908 5.228 30 20 IKED COc1ccccc1[C@H](OC(=O)c1cn(CCCC#N)c2ccccc12)c1ccccn1 774154706 GEVNAQFPJVCYQV-VWLOTQADSA-N 425.488 5.295 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Oc1ccc(Oc2ccc(C#N)cc2)cc1 778023227 HVOZVRNTQUSWSC-CQSZACIVSA-N 443.425 5.435 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 780150881 WYVZLWZGQOVDAL-LBPRGKRZSA-N 432.263 5.104 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N(C)[C@H]1CCSc2ccc(Br)cc21 780680278 DYDDQGWIPIFBHC-DYVFJYSZSA-N 446.370 5.441 30 20 IKED CCOC(=O)C1C/C(=C/c2scnc2C2CC2)C(=O)/C(=C\c2scnc2C2CC2)C1 782330084 XOOSDXQXNNNNTE-VULZFCBJSA-N 440.590 5.364 30 20 IKED C#CCn1ccc(CN(CC)C(=O)N[C@H](c2ccc(CC(C)C)cc2)c2cccs2)n1 788855090 LTRGQEAUCKXVGV-XMMPIXPASA-N 434.609 5.097 30 20 IKED O=C(Nc1cccc(/C=C\C(=O)c2ccccc2-n2ccnn2)c1)c1ccccc1Cl 794733037 VNJDFSLJEOBWNR-SEYXRHQNSA-N 428.879 5.069 30 20 IKED C#CCn1ccc(CN(CC)C(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC)n1 797514432 DPSREKKBYQVSOG-UHFFFAOYSA-N 445.350 5.093 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)c1 801018920 YNAPJVJVHOGTAP-KNQAVFIVSA-N 449.448 5.167 30 20 IKED CN(Cc1nc(-c2cccs2)no1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 806200677 KEIVTQASKXYBOW-LJQANCHMSA-N 429.505 5.117 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)O[C@@H](c3ccccc3)c3cccc(Cl)c3)CC2)o1 813221810 WKRVAURNIJCSML-QFIPXVFZSA-N 435.911 5.057 30 20 IKED CC(=Nn1cnc2sc(C)c(-c3ccccc3)c2c1=O)c1cnn(-c2ccccc2)c1C 818231699 XCHDQWXROQRBOY-UHFFFAOYSA-N 439.544 5.200 30 20 IKED N#Cc1ccc(Oc2cccc(-c3nc([C@@H]4CCC(=O)N(CC5CCCC5)C4)no3)c2)cc1 856576420 GUJIFIJBYMBNDA-OAQYLSRUSA-N 442.519 5.297 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2Cc3ccccc3[C@@H](c3ccccc3)C2)c1=S 887566519 CCNWNNJVMRBBOP-XMMPIXPASA-N 439.588 5.267 30 20 IKED CCOc1cc(/C=C\C(=O)c2c[nH]c3ccccc23)ccc1OCC(=O)Nc1ccccc1 915271015 HCAPDNQQYNIJSV-OWBHPGMISA-N 440.499 5.480 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915644639 HQKFBCOUHMWZKT-QHCPKHFHSA-N 425.488 5.020 30 20 IKED COCCOc1ccc(C(=O)/C=C/c2csc(-c3ccc(Cl)cc3)n2)cc1OC 915993650 VGUCTZHVYMATRY-CMDGGOBGSA-N 429.925 5.393 30 20 IKED Cn1c([C@@H](C#N)C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)nc2ccccc21 916845494 ZXCLABUEIFKBQF-NRFANRHFSA-N 436.490 5.670 30 20 IKED C[C@@H](Sc1ccc(Cl)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916884483 YJFFXGXJWNUFPD-BDJLRTHQSA-N 440.924 5.483 30 20 IKED CCCCc1oc2ccccc2c1/C=C\C(=O)[C@@H](C#N)C(=O)Nc1c(CC)cccc1CC 916911200 ZRQNWHKFIVIXDM-AXESWEIFSA-N 442.559 6.261 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(CC[C@@H]2C[C@H]3CC[C@H]2C3)C2CC2)cc1 918466448 FCCOSEXQBVFMIB-VXJMNVAESA-N 441.575 5.098 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccoc4)cc3)CCC2)c(Cl)c1 1786749880 DIPLRJJFMFALFX-YCRREMRBSA-N 445.906 5.266 30 20 IKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)/C=C/c4ccsc4)cc3)CCC2)cc1 1786941272 OTSFCAOPODMZMR-IZZDOVSWSA-N 441.556 5.010 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)CSc4ccccc4)cc3)CCC2)c1 1787776128 NCGLRRCCDMOGTC-UHFFFAOYSA-N 441.556 5.098 30 20 IKED N#CCCC(=O)Nc1ccc(C2(NC(=O)C3(c4cccc(Cl)c4)CCCC3)CCC2)cc1 1787889248 BATUEPPZLXDSQV-UHFFFAOYSA-N 449.982 5.590 30 20 IKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)C3CC(F)(F)C3)CCC2)cc1 1789507730 QEZNEWOXPWDLCD-UHFFFAOYSA-N 446.614 5.217 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)cnc3OCC)cc2)CCC1 1789840080 GVYYEXFRQLKALR-INIZCTEOSA-N 441.959 5.094 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)/C=C/C4CCCC4)cc3)CCC2)cc1 1790515112 GBJXUICAJPFMBY-OVCLIPMQSA-N 427.548 5.247 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4cccs4)CCC3)cc2)c1 1792123854 RKAMLMSJHUOCMV-GOSISDBHSA-N 443.572 5.366 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(C(F)(F)F)c1C)C2 1798338846 KWETZTQGKHRDBX-RDGPPVDQSA-N 434.502 5.034 30 20 IKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)/C(C)=C/c2cccs2)[C@@H]1c1cccnc1 1803080884 FSIYFVFMOHCADJ-ZLGKEQQUSA-N 449.620 5.021 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccccc2Cl)n[nH]1 1816904399 VEZFSCXMLTVAFL-WIYYLYMNSA-N 440.975 5.066 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)cc2C)CC1 1824145071 APISMZJPGCZSIU-XMMPIXPASA-N 426.576 5.136 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cccs2)CC1 1827075297 FGFFHZLMOLDZJG-OTOIZHKDSA-N 426.626 5.149 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2)CC1 1827793399 VHIYNOGOFGQJHT-SQJMNOBHSA-N 445.607 5.194 30 20 IKED CC[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)CC1 1830633749 SNOHTJRWAVFNCH-CVJWPJSTSA-N 449.639 5.202 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccsc3[nH]2)CC1 1830886125 DHPIPTSAZZZMTP-UNMCSNQZSA-N 439.625 5.231 30 20 IKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2cccc(O)c2)c1C 10167698 CDVZIVSLGZIDTH-UHFFFAOYSA-O 446.379 5.654 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2ccccc2)c(C)n1C 10836725 XWXNWOHOPJRDME-UHFFFAOYSA-O 433.384 5.287 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)Nc1ccc(C)c(C)c1 11163451 LAKJHRNCPJMWOY-UHFFFAOYSA-O 431.625 6.328 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(Nc2cccc(OC)c2)s1 22362138 RIXXTFXWXDWERB-AWEZNQCLSA-N 446.623 5.047 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2cccc3ccccc23)cc1 22693403 NDJCHLGHRUUMHX-UHFFFAOYSA-O 445.633 6.501 30 20 IKED C=CCN(C(=O)c1csc(-c2ccccc2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 61050415 DDPBHCREBIFQRE-UHFFFAOYSA-N 448.529 5.675 30 20 IKED N#CC1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(Cl)cc2)CCC3)CC1 61585067 JWAYOSAAJVYUIY-CAPFRKAQSA-N 441.962 6.141 30 20 IKED N#CCOc1cccc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)c1 61966843 OWNGUWXOMWITLF-UHFFFAOYSA-N 427.287 5.727 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1coc(-c2ccccc2)n1 109903907 IFUBXWBDDMLJNJ-UHFFFAOYSA-N 429.289 5.001 30 20 IKED Cc1cc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c2c(C(C)C)noc2n1 195692077 GRZPJOUEBALKIC-UHFFFAOYSA-N 426.476 5.358 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)c1ccc(F)cc1 255931380 ZGEXNDUIGUVKOG-AWEZNQCLSA-N 431.920 5.199 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2nc3cc(Cl)ccc3o2)n(Cc2ccco2)c1C 302609073 XSIUIRDVRXSOGI-UHFFFAOYSA-N 440.912 5.143 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)cc1 303432920 GGYJRCFOZQQGLF-HZPDHXFCSA-N 427.253 5.560 30 20 IKED Cc1ccccc1[C@H](CC(C)C)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 303452550 LARAORTYKAWERP-NRFANRHFSA-N 446.551 5.235 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@@H](c4ncc5n4CCCC5)C3)cc2)cc1 410281524 KNXDFFIGMWMDPD-JOCHJYFZSA-N 440.547 5.098 30 20 IKED Cc1nc([C@H]2CCCOC2)sc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 431350111 KBALWKVVUJPNGQ-FQEVSTJZSA-N 447.560 5.243 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](Cc3ccc(F)c(F)c3F)C(C)=O)o2)cc1 436213513 YVWVUIRYSSASSO-QGZVFWFLSA-N 434.439 5.011 30 20 IKED Cc1nc(CSc2ccc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc2)cs1 436348524 YHUYYHKEXJPHFH-GOTSBHOMSA-N 433.602 5.656 30 20 IKED CC[C@H](c1ccccc1)S(=O)(=O)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 437234986 USLDHGJATNBMGL-RUZDIDTESA-N 435.545 5.212 30 20 IKED CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 438050415 NBKYCPFTTXWPLP-HSZRJFAPSA-N 440.547 5.336 30 20 IKED Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 438223847 GKQBAGHDACBAOO-OPHFCASCSA-N 444.579 5.313 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)Nc2ccc(CC(F)(F)F)cc2)cc1 440553529 BMVGBWHSJHGIDV-UHFFFAOYSA-N 439.393 5.033 30 20 IKED C=CCC[C@H](NC(=O)N1CCN([C@H](C)c2cccnc2)CC1)c1ccc(C(F)(F)F)cc1 441532464 KSDAJVVMONVTSC-GCJKJVERSA-N 446.517 5.196 30 20 IKED Cc1ccc([C@@H]2OCCC[C@H]2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 463275090 IUDDLNZGGWUCRL-RPBOFIJWSA-N 439.515 5.225 30 20 IKED Cc1ccc(Cl)c(N(Cc2cccnc2)C(=O)c2cc(-c3cccc(C#N)c3)no2)c1 466616649 NPVKTQFWBVNGMX-UHFFFAOYSA-N 428.879 5.417 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(Cc2ccc(F)c(F)c2)CC1 469676556 FERBLKDXBHWQDN-MRXNPFEDSA-N 429.536 5.846 30 20 IKED CN(C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1cc(Cl)ccc1C#N 470965648 GDZCYMIPEMOITR-UHFFFAOYSA-N 449.725 5.554 30 20 IKED CCC1(c2ccc(Cl)cc2)CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1 473328240 GMJPXGDIAVKYOO-UHFFFAOYSA-N 437.971 5.291 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(OC(C)C)c1 474965146 HBCIJHWVBXDBCV-OAHLLOKOSA-N 428.460 5.374 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 476168354 XGQMGPHKVLMRDE-QGZVFWFLSA-N 441.369 5.293 30 20 IKED C[C@@H](O)[C@@](C)(CNC(=O)c1ccccc1Sc1ccccc1C#N)Cc1ccccc1 482192780 MHKUPKBKTBWJGS-NIYFSFCBSA-N 430.573 5.069 30 20 IKED Cc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(OCC(F)(F)F)c1 483325051 RYFYMGZESWWRRY-UHFFFAOYSA-N 426.394 5.852 30 20 IKED N#Cc1ccc(SCC(=O)N(Cc2ccccn2)c2ccc(Br)cc2)cc1 483461463 BXXQLQNHBFPAME-UHFFFAOYSA-N 438.350 5.041 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1 484558074 MZFQCKAZNPJNRX-GOSISDBHSA-N 444.466 5.944 30 20 IKED Cc1ccc(Cc2ccccn2)cc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 485585122 ZWRIOEUUKHMSHJ-UHFFFAOYSA-N 444.510 5.067 30 20 IKED CC(C)(C#N)c1ccccc1CN(CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 487413600 UUHXPHSJRKHUGR-UHFFFAOYSA-N 432.955 5.177 30 20 IKED Cc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c(C)n1C1CC1 487470634 IMERBMIGZSWNSI-UHFFFAOYSA-N 444.482 5.630 30 20 IKED COc1ccc(NC(=O)c2cccc(F)c2C#N)cc1NC(=O)c1ccc(Cl)cc1F 488652285 GRYYQZKGNFUXRO-UHFFFAOYSA-N 441.821 5.003 30 20 IKED COc1cccc(-c2nc(CSc3nc(C(F)(F)F)ccc3C#N)cs2)c1OC 488772023 YIUPYKWJWWHLOV-UHFFFAOYSA-N 437.468 5.405 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)N[C@@H](C)c3ccc(Cl)cc3)o2)cc1 489792324 OWPNMDQNMKLBLF-GJZGRUSLSA-N 443.956 5.313 30 20 IKED COc1cccc(-c2nnc(S[C@H](C#N)Cc3ccc(C)cc3)n2Cc2ccco2)c1 494090365 YUFLOPQXQBMVCB-QFIPXVFZSA-N 430.533 5.130 30 20 IKED C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1cccc(O)c1 496300288 BRFIEOAQFQIKHX-GFCCVEGCSA-N 446.454 5.213 30 20 IKED N#C[C@H](NC(=O)c1csc(-c2ccccc2Cl)n1)c1ccc(Br)cc1 499386530 YVCPJEBCYQVXIU-HNNXBMFYSA-N 432.730 5.221 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(O[C@@H](C)c3ccccc3)cc2C)cc1 502526690 NUVBPAPDWDSPNU-IBGZPJMESA-N 444.535 6.087 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)C3(c4ccccc4)CC3)s2)c(C(F)(F)F)c1 503170312 NDHFPCIHYXWXEL-UHFFFAOYSA-N 427.451 5.295 30 20 IKED O=C1CCc2cc(F)c(NC(=O)N[C@H](c3ccccc3C(F)(F)F)C(F)(F)F)cc2N1 506242937 WCJXRNBYIQXMRB-MRXNPFEDSA-N 449.326 5.154 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1 508262681 BRDHSEUCHBHYCB-JOCHJYFZSA-N 431.467 5.867 30 20 IKED C=CCn1c(CSc2ccccc2OC)nnc1N1CCC(Nc2cccc(C)c2)CC1 508945800 OCJLHRVYFQMPSC-UHFFFAOYSA-N 449.624 5.154 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 509673897 RVIUENYMTQYAMX-UHFFFAOYSA-N 443.547 5.012 30 20 IKED C[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1ccccc1C(F)(F)F 510172645 MLNFXQSSRIPSDC-CQSZACIVSA-N 427.451 5.758 30 20 IKED COc1ccc(C[C@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC 510995510 ZWRFJJQIJRDKQP-IBGZPJMESA-N 444.531 5.280 30 20 IKED Cc1nn(C)c(C)c1C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 513648726 SIHPBYCWPOVJRC-CYBMUJFWSA-N 447.301 5.108 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CC(C)C)C(C)C)c1 514496971 FBGVOMMRQDOYIV-UHFFFAOYSA-N 449.016 5.228 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4o3)cc12 515597558 NHKFGMQIYHIMEB-INIZCTEOSA-N 432.892 5.680 30 20 IKED C[C@@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 515707238 LJSPFXAJWWRJCY-JTQLQIEISA-N 437.270 5.266 30 20 IKED C=CCc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc(OC)c1OC 516713799 JUVNEPFHUHIDSR-LJQANCHMSA-N 434.517 5.054 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 517517791 JIRSPOGDKCDCFV-MRXNPFEDSA-N 445.573 5.642 30 20 IKED C[C@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 518248166 JYGSYTVRGXVSMY-MRXNPFEDSA-N 433.895 5.162 30 20 IKED COc1ccc(CN(Cc2ccccc2)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 521812324 PEHGOKHDRBWILI-HXUWFJFHSA-N 445.588 6.324 30 20 IKED C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 524810323 VCELWZOCNDKDGZ-UHFFFAOYSA-N 425.916 5.147 30 20 IKED C=CCn1c(S[C@H](C)c2ncc(-c3ccccc3)o2)nnc1[C@@H]1COc2ccccc2O1 524915943 XTHUVHDTDCXPJK-IERDGZPVSA-N 446.532 5.485 30 20 IKED Cc1ccccc1OCCCC(=O)Nc1ccc(CNCc2ccc(C#N)cc2F)cc1 533311935 IKTUWARYPNDHND-UHFFFAOYSA-N 431.511 5.093 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc4c3CN(c3nccs3)C4)c2)cc1 535453774 CFTWQTDRSAKLHQ-UHFFFAOYSA-N 438.512 5.580 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@H](CC(F)(F)F)c2ccccc2)n1 542962844 SXKHPQKMEKJECD-MRXNPFEDSA-N 433.821 5.213 30 20 IKED Cn1ccc([C@H](NCc2cccc(OCc3cccc(C#N)c3)c2)c2ccc(Cl)cc2)n1 546563002 TZACRGPUFAMGSY-AREMUKBSSA-N 442.950 5.403 30 20 IKED C=C(C)Cn1c(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)nnc1-c1ccco1 546999314 NZSQOYFCYSXQQH-UHFFFAOYSA-N 447.442 5.475 30 20 IKED Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccccc1 549135383 XXZHTYWLUAPSHI-QGZVFWFLSA-N 428.565 5.021 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(OCCC(C)C)CC1 549598218 MGNBTQBZFDDIMJ-IBGZPJMESA-N 430.568 5.165 30 20 IKED C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(CN(C)C(C)C)CC1 549676147 XYVZFRYPXHFNFR-UHFFFAOYSA-N 427.662 5.012 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N(CCC#N)c3ccc(F)cc3)cc12 551816388 GBFAIWLKUSMARS-UHFFFAOYSA-N 438.915 5.748 30 20 IKED CC[C@@H](c1ccccc1)c1nnc(Sc2c(C#N)cnc3c(OC)cc(OC)cc23)o1 553037017 STVWOHODFQRRKC-KRWDZBQOSA-N 432.505 5.200 30 20 IKED Cc1ccc(CN2CC[C@H](CN(C)C(=O)c3ccccc3Oc3ccccc3C#N)C2)s1 556828546 RDXHVNZIUIAFSR-HXUWFJFHSA-N 445.588 5.315 30 20 IKED C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 558993655 PMHOWOMKZNFNKW-GOSISDBHSA-N 449.505 5.248 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H](C)Cc1ccccc1C(F)(F)F 561908002 VGZVMXOOAVBNAM-IAGOWNOFSA-N 449.542 5.459 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCCOc3cc(F)ccc32)cc1 561984415 ITRSJAPJYOOAFS-JOCHJYFZSA-N 432.520 5.633 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(C)ccc1SCC(F)(F)F 562217579 MVZDMTQRYYFOGW-UHFFFAOYSA-N 428.476 5.345 30 20 IKED CSCC[C@@](C)(C#N)NC(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 570171303 XKJZVGMSQBKFLC-IBGZPJMESA-N 437.334 5.146 30 20 IKED C[C@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1cccc(NC(=O)c2ccccc2)c1 575633014 WLNSXULGMJNPKI-IBGZPJMESA-N 434.499 6.171 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(-c2ccc(CN3CCCC3=O)cc2)no1 576622042 TXXLYTFBAZKQRR-UHFFFAOYSA-N 443.425 5.110 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)CC1 578212180 ZAQMAMSJRZXPIH-YADHBBJMSA-N 436.987 5.418 30 20 IKED CCOC1CC2(CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)C2)C1 579629631 ZWYBORUQFSFEGD-UHFFFAOYSA-N 439.943 5.214 30 20 IKED CN(C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)[C@H]1CC[C@@H](C(F)(F)F)CC1 581218493 XAAITPGJGSSNSA-TXEJJXNPSA-N 437.359 5.223 30 20 IKED C=CCN(C(=O)[C@H]1CC[C@H](C(F)(F)F)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 584193456 PRWNYUKBSYCXHW-KBPBESRZSA-N 425.432 5.216 30 20 IKED Cc1c(NC(=O)c2ccc(COc3ccccc3C#N)o2)cnn1-c1ccc(Cl)cc1 589128666 MOGBIUYLCRSDRN-UHFFFAOYSA-N 432.867 5.130 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 589741663 OLPKMVAVLVBZEN-GOSISDBHSA-N 436.487 5.242 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(Br)cc1O 603626505 JNYPEWRTQOHVNP-UHFFFAOYSA-N 425.307 5.430 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1OC 603691128 BPTUKELSFKNOHL-NRFANRHFSA-N 444.491 5.132 30 20 IKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1 603991822 CBRKEUOFOWYNGQ-AWEZNQCLSA-N 447.585 5.463 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccnc(N4CCCC4)c3)cc2Cl)cc1 604089568 FGLWEDMQCNDEEI-UHFFFAOYSA-N 447.926 5.321 30 20 IKED C[C@@H](c1cccs1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604163748 DFKZRKVSBBNFJQ-AWEZNQCLSA-N 439.924 5.224 30 20 IKED C[C@H](NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1)c1ccc(C#N)cc1 604170376 CHSJXANUKNMPBT-HNNXBMFYSA-N 448.320 5.064 30 20 IKED N#C[C@@H](C(=O)c1cc(Br)sc1Br)c1nc2ccccc2s1 604929627 ISIGCFPUFPKQHI-QMMMGPOBSA-N 442.157 5.373 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N[C@H](c3ccccc3)c3ccc(F)cc3)o2)cc1 609056308 GNHSKIVQFDQNFJ-RUZDIDTESA-N 426.447 5.389 30 20 IKED Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609104133 PISOJHYTKAHDRW-UHFFFAOYSA-N 433.464 5.554 30 20 IKED CC(C)NC(=O)Nc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 609164501 PGKPRWXPKZBDOL-QFIPXVFZSA-N 446.938 5.778 30 20 IKED COc1ccccc1OCCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609206982 ZSCMPRPOYSNOCV-OAQYLSRUSA-N 449.938 5.595 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccccc1)c1ccccc1OC 609401660 OZWSWMISOREICY-DEOSSOPVSA-N 431.492 5.091 30 20 IKED COc1ccc(Br)c(CNCc2cccc(OCc3ccccc3C#N)c2)c1 609433300 TXYFUZMMSNKOFK-UHFFFAOYSA-N 437.337 5.198 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](COCc1ccccc1)c1ccccc1 610142644 FRRPXQXQWZONEZ-RDPSFJRHSA-N 445.588 6.160 30 20 IKED CN1CCC[C@@H](CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@@H]1c1cccs1 610180723 OVCPSOCYJGXUBW-WIOPSUGQSA-N 445.588 5.012 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(OCc3ccccc3F)CC2)cc1 611261701 HXBLYCBFNMXTCA-UHFFFAOYSA-N 446.547 5.670 30 20 IKED N#C[C@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)c1ccc2ccccc2n1 613292730 SNPLRGNYZSAVHY-NRFANRHFSA-N 433.442 6.186 30 20 IKED C=CCN(C(=O)c1cncc2ccccc12)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 614536545 SGZXSOBGFJKZQW-UHFFFAOYSA-N 440.355 6.498 30 20 IKED COc1cc([C@@H](C)NC(=O)N[C@H]2CCc3cc(C#N)ccc32)ccc1OCc1ccccc1 618808385 WKBBUVNJLHAHFQ-KOSHJBKYSA-N 441.531 5.194 30 20 IKED Cc1nn(-c2ccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cc2)c(C)c1Cl 642282624 MISKPCUDDRKJFG-INIZCTEOSA-N 439.853 5.377 30 20 IKED O=C(CSc1nccc(C(F)(F)F)n1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 650003003 IQHCHKWNILJOOC-UHFFFAOYSA-N 449.298 5.264 30 20 IKED COc1cc(C=NOCc2csc(Cc3ccc(Cl)cc3)n2)cc(Cl)c1OC 725791470 MNEAMGJBUHRTFC-UHFFFAOYSA-N 437.348 5.609 30 20 IKED Cc1ccc(COc2ccc(C[C@@H](C)NC(=O)Nc3cccc(OCC#N)c3)cc2)cc1 727225345 VHEZTTGVTOZVJU-HXUWFJFHSA-N 429.520 5.229 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](NC(=O)CC(C)C)c3ccccc3)n2)cc1 727627718 PNTVGHDAIYGRKE-REWPJTCUSA-N 431.561 5.198 30 20 IKED Cc1ccccc1OCc1nnc(SCc2ccc(OCC#N)cc2)n1-c1ccccc1 729241396 ZQYIWACERQESGO-UHFFFAOYSA-N 442.544 5.349 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)cc1 729317569 ZNWJOHLUUNODIZ-AREMUKBSSA-N 447.494 5.486 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 729578354 SFTMTOMRQNCWOL-UHFFFAOYSA-N 448.567 5.690 30 20 IKED Cc1ccccc1COc1cccc(CC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c1 730071903 UFDALGJWKQTLQW-NRFANRHFSA-N 445.469 5.738 30 20 IKED Cc1cccc(COc2cccc(CC(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c2)c1 730072578 YJGNSZOMNPVOAD-NRFANRHFSA-N 445.469 5.738 30 20 IKED N#C[C@@H](C(=O)COc1ccccc1OCc1ccccc1)c1nc2ccccc2n1C(F)F 730922680 YCVDJCACNNNWBA-SFHVURJKSA-N 447.441 5.266 30 20 IKED CN(C)c1ccc(CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C2CC2)cc1 731399921 IQBXOEMMIWRPOE-UHFFFAOYSA-N 426.520 5.613 30 20 IKED Cc1ccc(N2CCCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)cc1 731400468 OTTIJQOLGGCDOW-UHFFFAOYSA-N 426.520 5.403 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(c2ccccc2)C(=S)N[C@H]1c1cscn1 731421139 OBEZSOABQUBIPD-IBGZPJMESA-N 425.966 5.233 30 20 IKED C#CC[C@H](OC(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1)c1ccccn1 733691529 WFQIECCISOABHJ-IBGZPJMESA-N 439.309 5.048 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2c(Cl)cccc2Cl)C2CC2)c1 733850978 UIRVDGCHHUCYEM-KRWDZBQOSA-N 432.351 5.549 30 20 IKED C=CC[C@@H](NC(=O)N(CC)Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1ccncc1 734683692 OMNFLNHWCLNWOL-OAQYLSRUSA-N 443.469 6.209 30 20 IKED N#CCOc1cccc(NC(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 743103400 TVPUPEZAKJKKBN-UHFFFAOYSA-N 432.427 5.053 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)OCc2nnc(-c3cccc(F)c3)o2)c1 745052075 HEMDITKNACFTJL-UHFFFAOYSA-N 449.825 5.550 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)Cc2csc(COc3ccc(Cl)cc3)n2)n1 747196865 DJHGVYVEHFRCNV-MRXNPFEDSA-N 431.970 5.374 30 20 IKED N#C[C@H](C(=O)CSCc1cscn1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 747210621 PFTHHPDZZHASNI-BFKIHDCISA-N 429.636 5.177 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC(Cc3ccc(C(F)(F)F)cc3)C2)cc1 752634800 BYWKLBAUKQIRIR-DEOSSOPVSA-N 449.476 6.067 30 20 IKED Cc1cccc(-c2n[nH]cc2C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)c1 755517819 CHGYWAHTARTRCS-UHFFFAOYSA-N 425.517 5.014 30 20 IKED N#CC1CCC(COC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)CC1 755977355 PCDMSGPZZRRLLF-UHFFFAOYSA-N 447.244 5.080 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cc1 759209013 LJKTTXNHDNEIDL-MHECFPHRSA-N 439.515 5.414 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)N[C@@H](c3ccc(F)cc3)c3ccccc3Cl)CCO2)c1 761668729 GZELDQVASGKVSE-RPWUZVMVSA-N 449.913 5.223 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)N[C@@H](CCc3ccccc3)c3ccccc3)CCO2)c1 761669707 OUIIICUFLACTFH-IZZNHLLZSA-N 425.532 5.015 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)O[C@@H]2CCO[C@@H](C3CCOCC3)C2)c1 763147052 KONBMZJZCJRIAG-AUSIDOKSSA-N 441.911 5.135 30 20 IKED O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1ccc(Cl)nc1C(F)(F)F 767145535 IUBBQAVBEMRIPS-UHFFFAOYSA-N 448.697 5.669 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cnc(Cl)c2ccccc12 769196920 YKROWJKCXLQFKP-CQSZACIVSA-N 439.924 5.078 30 20 IKED COc1ccccc1-c1ccc([C@H](C)NCC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)cc1 775457458 HIOPAOBJFYOABP-MBSDFSHPSA-N 448.526 5.250 30 20 IKED N#C[C@@H]1C(CN[C@H](c2cccc(Cl)c2)C2CCCC2)=CC(=O)n2c1nc1ccccc12 775526837 LVKXDPDEFSXTES-YKSBVNFPSA-N 430.939 5.398 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)nn1-c1ccccc1Cl 776516300 LVZKLOXCZNZZAQ-CYBMUJFWSA-N 447.709 5.102 30 20 IKED CC(C)(C)OC(=O)N1CCCc2c(C(=O)[C@H](C#N)c3ccc4ccccc4n3)cccc21 778597897 FXVBDMAQATVJAO-HXUWFJFHSA-N 427.504 5.413 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccnc(SC(C)(C)C)c1 778863619 NYFHRPOOWIPMGF-OAHLLOKOSA-N 443.594 5.162 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 780168410 DIXAVZUMJNLUKC-NYHFZMIOSA-N 440.927 6.242 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc4c(c3)NC(=O)CC4)n2)cc1 786314114 QBVNRFQFWLPCRI-HXUWFJFHSA-N 445.544 5.039 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)/C=C\c1ccc2[nH]ccc2c1)c1ccc(Cl)cc1Cl 787054146 UFWMPFHJVNZOAH-BODJWMDGSA-N 426.303 5.074 30 20 IKED C[C@H]1CCCN(c2ccc(CNCc3cn(C)nc3-c3ccc(C#N)cc3)cc2Cl)C1 800275856 HTANJWAVFKDJLD-SFHVURJKSA-N 433.987 5.138 30 20 IKED CN(C)C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1 801663073 GNOFCZVPAOATFF-BJKOFHAPSA-N 432.955 5.420 30 20 IKED CC(C)C(=O)c1ccc([C@H](C)C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 802059359 VOIYPGNTGBXOGQ-YOEHRIQHSA-N 438.499 5.907 30 20 IKED C[C@H](OC(=O)c1cc(C#N)ccc1Cl)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 803835141 FBTPAUCSZZGHCW-VIFPVBQESA-N 431.197 5.068 30 20 IKED O=C1C[C@@H](C(=O)O[C@H](c2ccc(C(F)(F)F)cc2)C(F)(F)F)c2ccc(F)cc2N1 809128258 RDLDGTPWBPCIDG-CZUORRHYSA-N 435.295 5.117 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(C)Cc2ccccc2C(F)(F)F)c1=S 887563122 JVVIYORNKDRJRA-UHFFFAOYSA-N 448.514 5.384 30 20 IKED O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)N(O)Cc1cc(Cl)cc(Cl)c1 900096401 CBPMTPJZNJXGCH-UHFFFAOYSA-N 426.687 5.047 30 20 IKED CCOc1ccc(-c2nc(C(=O)Oc3c(Cl)cc(C#N)cc3OCC)cs2)cc1 914775115 AWXDMFRHGOGQJY-UHFFFAOYSA-N 428.897 5.352 30 20 IKED Cc1sc2ncnc(SCC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c2c1C 915086116 HJESYRHKECQRPA-FQEVSTJZSA-N 444.585 5.694 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2(c3ccc(Br)cc3)CC2)cc1 915086324 SUAACOAERJFSIW-JOCHJYFZSA-N 431.333 5.775 30 20 IKED N#Cc1ccc(CN2CCN(C(=O)Nc3ccccc3SCc3ccccc3)CC2)cc1 915330629 VRUGPTAVSXHRFJ-UHFFFAOYSA-N 442.588 5.200 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=S)Nc2cccc(Br)c2)cc1 916012235 HKDWZUPBJPLAPZ-UHFFFAOYSA-N 428.277 5.082 30 20 IKED Cc1sc2ncn(N=Cc3ccc(-c4ccc(F)cc4)o3)c(=O)c2c1-c1ccccc1 916283887 YYVIIZWFNPXGMB-UHFFFAOYSA-N 429.476 5.715 30 20 IKED N#C[C@@H](C(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1)c1ccccc1 916622714 IOBQFHVTITYRJL-OAQYLSRUSA-N 442.519 5.101 30 20 IKED C/C=C\c1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(OC)c1 916977321 PYORZVMFSVNVLT-JXCVUKRWSA-N 438.936 5.760 30 20 IKED N#C[C@H](C(=O)C1=Cc2cc(Br)ccc2OC1)c1nc(-c2ccccc2)cs1 917026308 DNIQQQSIYWXYDO-QGZVFWFLSA-N 437.318 5.225 30 20 IKED CCCN(Cc1ccccc1)Cc1ccc(NC(=O)c2cc(C#N)c(SC)nc2O)cc1 1130538195 YFMAXCIJFXYMOV-UHFFFAOYSA-N 446.576 5.045 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc5cc(OC)ccc5o4)cc3)CCC2)C1 1789238084 BFXXSAUDGMAILW-UHFFFAOYSA-N 430.504 5.155 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccc4[nH]ccc4n3)cc2)CCC1 1789269461 PAZUVFSIVVKNTF-UHFFFAOYSA-N 428.536 5.079 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cnccc34)cc2)CCC1 1789388690 KTIMJZLBBOCBFP-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(OC)ccc4o3)CCC2)cc1 1791250374 QGQHMPUGWOGTKT-QGZVFWFLSA-N 432.520 5.401 30 20 IKED C=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2CCC(c3ccc(Cl)cc3)CC2)C1 1793209524 VCZNDJOVLNYTDC-NSNZZXSASA-N 441.015 5.218 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cccc(F)c3s2)n[nH]1 1818596256 AERBXNBJDXSRKX-KBXCAEBGSA-N 440.544 5.282 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)s2)[nH]n1 1819302486 GLBKGDACZXRFMI-AEFFLSMTSA-N 447.004 5.128 30 20 IKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[nH]n1 1822396031 IXHKKAJHGMZQIB-KNQAVFIVSA-N 428.964 5.071 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2cccc3ccccc23)CC1 1824955875 CPJIDDULLFYPON-OFVILXPXSA-N 448.607 5.051 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(C(C)(C)C)c2)CC1 1825439829 VVXSIIQUWZKISB-PKTZIBPZSA-N 439.644 5.314 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1828744348 DSEQKZZANCXYBJ-VGOFRKELSA-N 442.003 5.267 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(Cl)cc2)cc1 10832977 BZETVTZYGXXWEK-UHFFFAOYSA-O 430.018 5.919 30 20 IKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccccc2)c(Cl)c1 11089553 YVWLOWFODBSNBU-UHFFFAOYSA-O 431.915 5.573 30 20 IKED C=CCn1c(SCc2cc(=O)oc3c(C)c(O)ccc23)nnc1-c1ccc(Cl)cc1 23525018 QZCVNNDNDAZPOO-UHFFFAOYSA-N 439.924 5.197 30 20 IKED C[C@@H](Nc1ccc(NC(=O)c2ccco2)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 26989204 TZMFCBIJDNALIQ-OAHLLOKOSA-N 448.548 5.173 30 20 IKED C=CCn1c(SCc2cc(C)no2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 32385116 SDRBAULSQHGTKV-UHFFFAOYSA-N 427.526 5.347 30 20 IKED CCN(CC)C(=O)Cc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 33072893 HOKHTVYYDBZKKW-UHFFFAOYSA-N 443.572 5.373 30 20 IKED O=C1O[C@H](c2ccccc2)Cc2cc(/C(O)=N/c3nc(-c4ccccc4Cl)n[nH]3)ccc21 97334946 PIHJYYKGBZTIJQ-FQEVSTJZSA-N 444.878 5.216 30 20 IKED N#C[C@@H](C(=O)c1ccc(-n2cnc3ccccc32)cc1)c1nc2ccccc2n1C(F)F 195557438 QCRNCQOLJQRHKM-KRWDZBQOSA-N 427.414 5.260 30 20 IKED Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2cccc(C#Cc3ccccc3)c2)c(C)c1 195583446 SQRLLGPYWYGXIB-UHFFFAOYSA-N 425.532 5.114 30 20 IKED O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc(N2CCOC2=O)c1 214078722 RPCZCLFRUNOYQQ-PFONDFGASA-N 435.483 5.392 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1ccccc1C 255930472 JRYBLQMSOWOQPE-INIZCTEOSA-N 442.972 5.124 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(OCc3ccccc3)CC2)cc1 302911385 NSORFMHVQRCROY-UHFFFAOYSA-N 442.584 5.672 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(OCC(F)(F)C(F)F)nc1 409592683 RIWGOKBKLMVKGY-UHFFFAOYSA-N 430.707 5.285 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 431761536 USDKCZDJLYHUCV-LBPRGKRZSA-N 437.352 5.564 30 20 IKED COc1cc(CN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C2CC2)ccc1OC(F)F 435549883 MPRKSPJOLQVUFT-UHFFFAOYSA-N 445.466 5.152 30 20 IKED N#Cc1ccc(F)c(CNC(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1 436210060 MGNVGVPPDWLADS-INIZCTEOSA-N 433.327 5.209 30 20 IKED N#CCCn1cc(-c2csc([C@@H](NC(=O)c3ccccc3)C3CC3)n2)c2ccccc21 437649335 WYHAXHPEQYVAKZ-QHCPKHFHSA-N 426.545 5.560 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccccc1CN1CCc2ccccc21 437894499 GTNSZTXXWXZVSQ-SHQCIBLASA-N 436.559 5.553 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1 439771530 DVEKOHPURCUFNY-HXUWFJFHSA-N 440.547 5.009 30 20 IKED Cc1ccc(CN(CCCC2(C#N)CCOCC2)Cc2ccco2)c(Br)c1 441263524 JOFMIGTVRXARRI-UHFFFAOYSA-N 431.374 5.453 30 20 IKED CSc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1C 441349807 UIISCDOLKYGNNF-UHFFFAOYSA-N 435.480 5.097 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(C(=O)N(C)CC(C)(C)C)c3)n2)cc1 442676647 HHKALHICFWYSKG-OAQYLSRUSA-N 445.588 5.727 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H]1c1csc(C)n1 460369944 OBCGNCASHLNVNU-FOIQADDNSA-N 444.004 5.754 30 20 IKED C[C@@H](CC#N)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCCCO1 461865299 JNODBWJQIPKVAS-LSDHHAIUSA-N 429.977 5.121 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)nn1-c1ccc(Cl)c(Cl)c1 464416308 HDKYWTCYPBVZII-ZDUSSCGKSA-N 439.224 5.391 30 20 IKED COc1ccccc1[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C(C)C)c1ccccc1Cl 466075547 HIEKTDKMSTUDBC-VWLOTQADSA-N 447.966 5.930 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@@H](c3ccccc3F)C3CCCC3)ccc21 470554472 YZSVOXGGNRBUKV-RUZDIDTESA-N 448.542 5.462 30 20 IKED Cc1sc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)nc1C(C)C 478661902 QQKZIIHSGUSSEE-UHFFFAOYSA-N 436.556 5.498 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccc(C)cc1 481389549 IOFSZBJZKCNTII-HNNXBMFYSA-N 446.498 5.578 30 20 IKED Cc1cc(C)c(CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C)c1 485067711 NFKHZPAGZQMCLP-QFIPXVFZSA-N 445.950 5.176 30 20 IKED CCc1c(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cnn1-c1ccc(Cl)cc1 485312649 RBRHCEUIFDGVEO-NZQKXSOJSA-N 433.943 5.392 30 20 IKED C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@H](CCCC#N)c1ccccc1 487456656 VSDFECHWDBKZSA-OXJNMPFZSA-N 427.342 5.209 30 20 IKED C=CCn1c(S[C@H](C)c2nc(O)c3c(C)c(C)sc3n2)nnc1-c1cccs1 489457183 BNYMRSBTNICTGX-GFCCVEGCSA-N 429.596 5.373 30 20 IKED FC(F)Oc1ccccc1[C@@H](NCc1nc2cc(C(F)(F)F)ccc2o1)C(F)(F)F 492379593 YBCLZEDFJWXKBP-OAHLLOKOSA-N 440.290 5.841 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1nc(-c2ccccc2)oc1C 500086090 COOBYPODFHQXQF-UHFFFAOYSA-N 443.316 5.309 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2ccc(F)cc2Cl)cc1 504057520 OSWWZGWJTGWEBP-UHFFFAOYSA-N 439.874 5.816 30 20 IKED C[C@@H](NC(=O)c1cc(C#N)ccc1Cl)c1cccc(NC(=O)Cc2ccccc2F)c1 506352601 ILINVYQZXMDFAY-OAHLLOKOSA-N 435.886 5.023 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1 508276740 VZSCCYDMNCAZCQ-QGZVFWFLSA-N 441.487 6.330 30 20 IKED CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510007683 WJSMUZIWEJODSZ-HSZRJFAPSA-N 433.939 6.058 30 20 IKED C=CCn1c(SCc2csc(CCCC)n2)nnc1[C@@H]1COc2ccccc2O1 510312739 KSQHYQQDRKZJMS-SFHVURJKSA-N 428.583 5.068 30 20 IKED CN1CCC[C@H](CNC(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1ccc(C(F)(F)F)cc1 512744890 SUQLBKVAIGDZRQ-UZLBHIALSA-N 435.877 5.043 30 20 IKED Cc1noc(C)c1COc1ccccc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 515540120 JDCYAOHZZVONMV-MRXNPFEDSA-N 436.418 5.105 30 20 IKED COCCCN(Cc1ccncc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 517380894 SJIUUHQBDUXXFR-HSZRJFAPSA-N 448.954 5.461 30 20 IKED CCCN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(Cl)cc1 518395367 LGDHVJCESMHIGS-UHFFFAOYSA-N 438.915 5.119 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)c1nc2ccccc2s1 519452579 IUUXHERFPBHEGY-NSHDSACASA-N 430.341 6.217 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NCCCc3cccc(C(F)(F)F)c3)cc2)nc1 521092321 SQXALZZWBZHEQO-UHFFFAOYSA-N 425.410 5.127 30 20 IKED Cc1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)ccc1C(=O)NC(C)C 521928948 WJESMNONUMDFPS-UHFFFAOYSA-N 427.504 5.244 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)c1 523254477 DTKRLWGDBDUYAW-UHFFFAOYSA-N 425.444 5.515 30 20 IKED N#CC1CCN(C(=O)c2sc3ccccc3c2CSc2ccccc2Cl)CC1 523284385 IFCSSXQVPWBSRO-UHFFFAOYSA-N 426.994 6.223 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524437371 JFQLITHKYZOXDV-UHFFFAOYSA-N 437.952 6.072 30 20 IKED Cc1ccccc1C[C@@H]1CCCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 524481099 JJFUFJMIKYTOSN-FQEVSTJZSA-N 449.605 5.250 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCC(=O)c1cccc(C(F)(F)F)c1 531759665 XIXQBQZHEHLYQN-UHFFFAOYSA-N 433.455 5.037 30 20 IKED N#Cc1ccccc1COc1cccc(CNCc2ccc(COC3CCOCC3)cc2)c1 533562352 JTVMLONSPDKVNI-UHFFFAOYSA-N 442.559 5.123 30 20 IKED CC[C@@H](C)n1ncc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C1CC1 534084655 VCQKSVOXPJRETI-IIBYNOLFSA-N 432.955 6.293 30 20 IKED COc1ccccc1[C@@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccccn1 534838860 HDWFNDAINWGDKK-HHHXNRCGSA-N 449.510 5.468 30 20 IKED C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC(c2nc3ccccc3[nH]2)CC1 549258877 YJYRPXFKSYZAJY-UHFFFAOYSA-N 442.567 5.002 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](CO)c1ccccc1Cl 554160940 VKBOHPPADVWFAN-GOSISDBHSA-N 435.911 5.210 30 20 IKED Cc1ccc([C@@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c2ccccn2)cc1 555007496 LNZZDHYMUTZJBO-RUZDIDTESA-N 435.487 5.360 30 20 IKED COc1ccc(-c2nc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)cs2)cc1OC 559319148 AOYWSUVBRYEYRO-ZDUSSCGKSA-N 427.551 5.071 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)C[C@H]1OCCc2ccccc21 560163804 OQAATJFACBLIDC-AREMUKBSSA-N 441.531 5.223 30 20 IKED COc1ccccc1[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1ccccc1 589639685 HEKIOXKZQFRLTB-XMMPIXPASA-N 435.531 5.215 30 20 IKED N#C[C@@H](C(=O)c1ccccc1OCCOc1ccccc1)c1nc2cc(F)ccc2s1 592974781 ZGYFZIVLIWCWKV-IBGZPJMESA-N 432.476 5.383 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCc1nnc(-c2ccccc2)o1 603738930 JLELSDPRWYBFOC-UHFFFAOYSA-N 439.475 5.065 30 20 IKED CCn1c(CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)nc2ccccc21 604482756 KQNSUXCFDXEVIC-UHFFFAOYSA-N 440.572 5.193 30 20 IKED Cc1ccccc1CN(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)C1CC1 608993822 APIYCQLZIPZJQQ-UHFFFAOYSA-N 435.578 5.207 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](c1ccccc1)c1ccccn1 609078769 MXOTZTACAXMIEQ-MHZLTWQESA-N 448.526 5.752 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 609104392 DYPVVKOBISZZCV-UHFFFAOYSA-N 431.492 5.020 30 20 IKED CCn1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nnc1-c1cccs1 609369724 IVTYYQIEGFVCOI-CQSZACIVSA-N 443.623 5.009 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](CSc4ccccc4)C3)cn2)cc1 610321243 MUBSVIQOSXEBQQ-LJQANCHMSA-N 430.533 5.392 30 20 IKED C[C@H](NC(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1cccc(C#N)c1 610350055 MVISQUYXVKSFQG-FQEVSTJZSA-N 435.531 5.030 30 20 IKED CSc1cccc([C@@H](NC(=O)N[C@H](C)c2cccc(C#N)c2)c2ccc(F)c(F)c2)c1 610355243 LXEBIQKFYFEMFE-IQMFZBJNSA-N 437.515 5.708 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2cc(Br)c(F)cc2Cl)c1 610585658 ZMNGTIUNLXPMDH-UHFFFAOYSA-N 426.673 5.568 30 20 IKED Cc1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(N2CCCC2)n1 611582234 LQWRDUCPCYHNSK-UHFFFAOYSA-N 442.588 5.084 30 20 IKED C=C(CNCc1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1)c1ccccc1 620757875 WBJSFYZHDDETDR-UHFFFAOYSA-N 436.939 5.169 30 20 IKED C[C@H](NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(OC(F)F)cc1 642897769 CBVJFUZJUNYSEX-MVWJERBFSA-N 448.354 5.558 30 20 IKED O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1C[C@H]2CC[C@H]1O2 679995293 OLJBXXJFDISDFA-FDYHWXHSSA-N 435.286 5.011 30 20 IKED O=C(Nc1ccc(-c2cccc(F)c2)c(F)c1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 680262885 VCXXDZODEKRUFO-GASCZTMLSA-N 438.318 5.836 30 20 IKED C=CCc1cc(CN[C@H](CC(F)(F)F)c2ccc(Br)cc2)cc(OC)c1O 680485871 QJXQOYGOMDADRD-QGZVFWFLSA-N 444.291 5.675 30 20 IKED C#Cc1cccc(NC(=S)NC[C@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)c1 726438591 BBIZEJKEFDZBJH-XMMPIXPASA-N 438.600 5.334 30 20 IKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccccc2)cc1 726571379 FXIVBRATLGPRDQ-UHFFFAOYSA-O 448.999 6.120 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCc1nnc(-c2c(Cl)cccc2Cl)o1 726639395 VZZDJPOQYKVWJI-LJQANCHMSA-N 446.290 5.062 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 727803250 DDFHZXMAPCDCKY-UHFFFAOYSA-N 443.503 5.737 30 20 IKED CC(=O)N(c1nc(/C=C2/Oc3c(Cl)cccc3C2=O)cs1)c1ccc(F)cc1F 729149221 DPGHADUUKHWUEZ-CAOOACKPSA-N 432.835 5.376 30 20 IKED COc1ccc(/C=C\C(=O)c2ccc(Br)cc2Br)cc1[N+](=O)[O-] 730151921 UKOBKCORCUDTMO-KXFIGUGUSA-N 441.075 5.025 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)C1CC1 734304218 GERUXWPXZIHDOQ-DJWKRKHSSA-N 448.388 5.592 30 20 IKED N#C[C@@H](C(=O)C[C@H]1OCCc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 734706539 LYVNXLIJKCIVND-LAUBAEHRSA-N 443.355 5.997 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 735517798 CXPRXVGBNUSKOH-NRFANRHFSA-N 446.478 5.017 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1)C1CC1 736956881 ZWZMCBRVSUWGQI-SANMLTNESA-N 438.531 5.497 30 20 IKED Cc1ccc(CN(CCc2ccccc2)Cn2c(C)nnc2-c2cccc(C#N)c2)s1 739840349 ZYKKBYFYIFAVAS-UHFFFAOYSA-N 427.577 5.198 30 20 IKED Cc1nc(/C=C/c2nccc3ccccc23)sc1C(=O)/C=C/c1nccc2ccccc12 740764985 MJRAOVFXCKBJLO-DCIPZJNNSA-N 433.536 6.614 30 20 IKED FC(F)COc1ccc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)cc1 741812270 PRDOKECRFBGWSO-UHFFFAOYSA-N 429.279 5.067 30 20 IKED N#Cc1ccc(-c2cccc(CNc3ncccc3C(=O)N3CCc4ccccc43)c2)s1 742409177 WQUWNUNTMLPAHC-UHFFFAOYSA-N 436.540 5.497 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 742549754 ANWFBVZXXWSQFP-JOCHJYFZSA-N 449.551 5.060 30 20 IKED CCN(C(=O)COC(=O)c1ccccc1-c1ccccc1C#N)c1nc2ccccc2s1 742746554 YKDODLSQCAWMLZ-UHFFFAOYSA-N 441.512 5.045 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 742885134 HSCHUGNQWZHKRW-HNNXBMFYSA-N 434.496 5.088 30 20 IKED COc1ccc(/C=C/C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2C)c(OC)c1OC 743055835 LHGVVPWHLQRJRE-WEVVVXLNSA-N 447.318 5.409 30 20 IKED N#Cc1ccc(OCCNC(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)cc1 743108274 APIVCPAMEQMHFP-OAHLLOKOSA-N 436.364 5.045 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccnc(Oc3ccccc3Cl)c2)c1 743192387 SGOCOTAXCZNKLE-GOSISDBHSA-N 436.899 5.530 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(NC(=O)CC(C)C)c(C)c1 744029350 RJIYEGCZSPNODB-OAQYLSRUSA-N 433.552 5.066 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@]12CCCc1ccccc12)c1nc2cc(C(F)(F)F)ccc2s1 744038407 UFPLHIGEODLONJ-JLDZCNIISA-N 426.463 5.786 30 20 IKED CCOc1cc(/C=C\C(=O)c2cc(Cl)sc2Cl)ccc1O[C@H](C)C(=O)N(C)C 744865834 NCIZVHPWNTWSOY-XYLWRLHESA-N 442.364 5.205 30 20 IKED C[C@@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1c(F)cccc1Cl 747154294 RNXJYKDJSGSGFK-CYBMUJFWSA-N 443.862 5.120 30 20 IKED N#Cc1ccc(CSCC(=O)OCc2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1 756176222 PDWZYSDPAKMMJN-UHFFFAOYSA-N 432.423 5.209 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1cc(Cl)sc1Cl)C(=O)Nc1cccc2ccccc12 756233725 OTTOSGIVSSOGMH-HNNXBMFYSA-N 445.327 5.519 30 20 IKED COc1ccc(-c2cncc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2)cc1 757876395 UZAZCYUJWYWBNH-GOSISDBHSA-N 440.286 5.025 30 20 IKED Cc1nc(/C=C/c2ccc3c(c2)ncn3C)sc1C(=O)/C=C\c1ccc2c(c1)ncn2C 761198561 IGLATZOEJOLRKN-NAKBGQTNSA-N 439.544 5.291 30 20 IKED FC(F)(F)Sc1ccc(C=Nn2c(S)nnc2SCc2ccccc2)cc1 767184879 LKEPVHKLQVZVLZ-UHFFFAOYSA-N 426.514 5.353 30 20 IKED C[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1cccc(OCc2ccccc2)c1 769897206 IDWITCIPRBVRMU-NTKDMRAZSA-N 448.526 5.153 30 20 IKED C=C(C)Cn1c(SCc2nc(-c3cccc(C(F)F)c3)no2)nnc1-c1ccco1 771514206 KKGLIDGETVFJPU-UHFFFAOYSA-N 429.452 5.394 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3C[C@H](O)c3ccc(F)cc3)cc2)cc1 773265170 LDWLENZBUITQNL-RDGATRHJSA-N 445.494 5.610 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1C1CC1 774041887 BQUIDTZIVQGBQN-OAQYLSRUSA-N 426.472 5.326 30 20 IKED C=CC[C@H](NCc1cn(-c2ccc(Br)cc2)nc1C(C)C)c1ccncc1 776186504 TZOFBFVDGDJUHQ-NRFANRHFSA-N 425.374 5.560 30 20 IKED COc1ccc(C[C@H](NC(=O)Nc2ccccc2O[C@@H](C)C#N)c2ccccc2)cc1OC 780674928 JSNCDDPQROPLCA-AVRDEDQJSA-N 445.519 5.100 30 20 IKED N#Cc1ccc([C@H](O)C(=O)Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)cc1 781447562 KAVPQUQLQOBVTD-FQEVSTJZSA-N 435.892 5.286 30 20 IKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 782485348 KJVDBXJPKKHMFY-XHCCPWGMSA-N 435.527 5.367 30 20 IKED Cc1csc(SCc2c(C(=O)N[C@H]3CCc4cc(C#N)ccc43)oc3ccccc23)n1 786396874 RXAPLGVPZSKCQX-FQEVSTJZSA-N 445.569 5.779 30 20 IKED O=C(/C=C\c1ncc(I)s1)c1ccc(SCC(F)F)cc1 794699240 DMGFPVSCTZTTMJ-WAYWQWQTSA-N 437.274 5.001 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(C(=O)Nc3cc(C#N)ccc3NC3CC3)ccc21 803318961 CJIAQDMYHXPEBW-UHFFFAOYSA-N 432.524 5.073 30 20 IKED N#CCCN(Cc1ccco1)C(=O)N[C@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl 806681972 RRKJLHGQQQBXRK-QGZVFWFLSA-N 439.730 5.298 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cc(Cl)ncc3Br)cc2)c1 810372547 FYOYFMWLJWJQAI-UHFFFAOYSA-N 428.673 5.414 30 20 IKED C[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)c1ccc(F)c(Br)c1 813063744 BTJGERWQIAYDKN-DOMZBBRYSA-N 444.329 5.477 30 20 IKED COc1cc(/C=C2/CCOc3ccc(Br)cc3C2=O)ccc1OC(F)F 818470125 IGASKNGSSQNTIZ-WQLSENKSSA-N 425.225 5.108 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(-c2ccccc2)cc1)[n+]1ccc2c(c1)CCCC2 839406947 OHCWBANHTQXATP-UHFFFAOYSA-O 441.620 5.897 30 20 IKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3ccc(Cl)nn3)c2C#N)C1 913611171 IBBBOUWDKBZXLF-LBPRGKRZSA-N 435.018 5.335 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 915200051 UFOZDNYMQZRXRU-RRPNLBNLSA-N 445.522 5.452 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)/C=C\c3nc4ccccc4s3)c2)cc1 916452010 PLJVCQCSAOWMPO-SEYXRHQNSA-N 425.513 5.593 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1ccc2ccccc2n1 916848519 LFYALJRPAZELLQ-RXVVDRJESA-N 438.314 5.023 30 20 IKED C[C@H](Sc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042173 CXQUOVRBKOOYLR-IINYFYTJSA-N 440.899 6.326 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@H]2CCc2ccccc2)c1=S 917478842 TUKMMCNSDBPQQA-NRFANRHFSA-N 434.609 5.330 30 20 IKED Cc1ccc(C)c2c(C)c(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)oc12 920109845 UULPHIWSDMDXQC-HXUWFJFHSA-N 438.483 6.112 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1 920139655 WSKAOLIXEZAIIA-ACJLOTCBSA-N 439.518 5.084 30 20 IKED CCCCc1oc2ccccc2c1/C=C/C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 920264986 GZCABLGMXHPADF-SQUSKLHYSA-N 427.529 6.184 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)OC[C@H](C#N)Cc4ccc(F)cc4)cc3)o2)cc1 920879935 OKYIGWXXDADDCN-IBGZPJMESA-N 441.462 5.390 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc4sccc4s3)cc2)CCC1 1789254852 QHIPWSRXZWANNC-UHFFFAOYSA-N 442.631 5.630 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccnc1 1802495826 NCVPXPDISUASHR-RPBOFIJWSA-N 447.623 5.517 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2cccc(C)c2)[C@H]1c1cccnc1 1804030642 HHDHWZMIEDANAJ-AZGAKELHSA-N 447.623 5.021 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)c(C)cc2F)[nH]n1 1814830213 SLMUXFUDEDZHFY-NRFANRHFSA-N 442.510 5.071 30 20 IKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(CC(C)C)cc2)n[nH]1)C(F)(F)F 1821250857 TUDVCAROBSQILE-IBGZPJMESA-N 448.489 5.033 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2csc(-c3ccccc3)n2)[nH]n1 1821920871 PCQVRSVFLMVCLO-UZLBHIALSA-N 449.580 5.051 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccoc3cn2)CC1 1823752991 AYGNDKYMHFYHQH-JOCHJYFZSA-N 437.584 5.054 30 20 IKED CC[C@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)CC1 1830016054 AREYPHZFROJPKJ-QFZRFWILSA-N 435.612 5.008 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 1831479798 FXARMJBGAOXHTO-KAMZKSLDSA-N 428.661 5.425 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccccc1OC 21456168 QXSBEPREWQUTDW-UHFFFAOYSA-N 436.581 5.168 30 20 IKED C=CCn1c(S[C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)nnc1-c1cccc(C)c1 22619500 WFBBWDSPXRQVME-OAHLLOKOSA-N 437.594 5.208 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)nnc1-c1ccco1 23202327 SMZDYZUSJIJQBY-OAHLLOKOSA-N 443.598 5.027 30 20 IKED Cc1cc(N(CCC#N)C(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)ccc1Cl 29380052 WRHDKDJQVCLURK-UHFFFAOYSA-N 446.363 5.126 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cc(Br)ccc3F)c2)c1 32288854 XALXBMVMZFPMBL-UHFFFAOYSA-N 425.257 5.291 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(CN2CCCCC2=O)c1 60265202 MBRLWQRBFIDXDW-UHFFFAOYSA-N 441.556 5.474 30 20 IKED CC1CCN(c2ccc(CNCc3cccc(OCc4cccc(C#N)c4)c3)cn2)CC1 61074886 GUCVWOZVMXGEJP-UHFFFAOYSA-N 426.564 5.058 30 20 IKED C=CCn1c(SCC(=O)N[C@H](c2ccc(F)cc2)C(C)C)nnc1-c1ccccc1F 217155144 SJDDXHBRTOTGIU-NRFANRHFSA-N 442.535 5.015 30 20 IKED CN(CCC#N)c1ccc(CNCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1 237213761 AXLGFLKDJOYYEZ-UHFFFAOYSA-N 435.575 5.238 30 20 IKED C=CCn1c(SCC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)nnc1C1CC1 247871099 LKJDHPSFCIBLMF-UHFFFAOYSA-N 439.610 5.121 30 20 IKED CCc1nc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cs1 303287136 LRANLZMPFHIEHA-UHFFFAOYSA-N 426.929 5.131 30 20 IKED C=CCCc1ccccc1NC(=O)[C@H]1CC[C@H](C(=O)Nc2ccccc2CCC=C)CC1 410385775 WTXFSKFZNAHBDQ-RQNOJGIXSA-N 430.592 6.307 30 20 IKED CC(C)N1CC[C@H](NC(=O)N[C@@H](CCCC#N)c2ccccc2)[C@H]1c1ccc(F)c(F)c1 431462509 BQLJBRLICILNAC-KMDXXIMOSA-N 440.538 5.223 30 20 IKED N#CCCn1cc(CNc2cccc(OCc3ccc(F)cc3)c2)c(-c2ccncc2)n1 433329098 XPUFRCZUNCITFZ-UHFFFAOYSA-N 427.483 5.189 30 20 IKED C[C@@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)Oc1cccc(Br)c1 438042780 RVOOOEVLZRMRCW-CABCVRRESA-N 448.386 5.290 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 438051576 CAILSCJGHHIZFZ-MRXNPFEDSA-N 425.554 5.358 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](c2nc(C)cs2)C2CC2)cc1 438181983 GMIHBUVWMOAXAY-NRFANRHFSA-N 434.521 5.397 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1 438679193 IQSRJWVGCOUXIP-UHFFFAOYSA-N 432.480 5.619 30 20 IKED Cc1ccc(-c2csc3ncnc(SCC(=O)NCC4CCC(C#N)CC4)c23)cc1 441146685 KLHBFAODHISYMK-UHFFFAOYSA-N 436.606 5.205 30 20 IKED CCc1ccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1C 442375432 FIHDZXUXYXRYLA-JOCHJYFZSA-N 431.923 5.444 30 20 IKED CCO[C@H](C)c1nc(CN2CCN(Cc3ccc(-c4ccccc4C#N)cc3)CC2)cs1 444233232 BOBCTEGIZKGOGI-HXUWFJFHSA-N 446.620 5.097 30 20 IKED C=C(C)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 460776403 CDKLGCWXXSXZIF-MRXNPFEDSA-N 448.411 5.380 30 20 IKED C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H]1c1ccccc1Cl 460813736 LHWJPRLUNRHISP-FQEVSTJZSA-N 446.942 5.165 30 20 IKED COCc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)o1 467375011 AAWGDUIIZDDLQQ-QFIPXVFZSA-N 449.482 5.385 30 20 IKED CC[C@@H](Cc1ccccc1)N(CC)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470553364 LTRPNASJFUGNOY-QHCPKHFHSA-N 432.568 5.145 30 20 IKED N#C[C@@H](C(=O)c1ccc2nc(C(F)(F)F)cn2c1)c1nc(-c2ccc(Cl)cc2)cs1 473488953 ONOHMRBYKFLMSC-AWEZNQCLSA-N 446.841 5.620 30 20 IKED O=C(CCC(=O)c1ccc(F)cc1)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 474263276 CIMTVXWHSOGZSD-MRXNPFEDSA-N 435.339 5.617 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 475581858 ILXPOOZOKPNYKZ-UHFFFAOYSA-N 435.612 5.581 30 20 IKED CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1 476130357 CIRAABPDECCBBW-FQEVSTJZSA-N 448.544 5.299 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1nc(SCc2ccccc2)ns1 476499495 LJTLEZQKUHPZLK-OALUTQOASA-N 435.578 5.134 30 20 IKED CCC(CC)C(=O)N1CCC(Nc2c(C#N)cnc3c(Br)c(C)ccc23)CC1 479389699 DZPJSJHRMYGCPO-UHFFFAOYSA-N 443.389 5.017 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cn2)nnc1-c1ccco1 481432430 FZEWYYSWJLKFMY-UHFFFAOYSA-N 447.520 5.032 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Sc2ccc(OC)cc2)cc1 481576525 VAXAQYVLKPUIMO-UHFFFAOYSA-N 447.560 5.399 30 20 IKED CCc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](C#N)c1cccc(Br)c1 483992288 DSLWYHAMWNAOMF-INIZCTEOSA-N 444.716 5.315 30 20 IKED CC[C@@H](NCc1ccc(OC)c(OCCCC#N)c1)c1cc(F)cc(Br)c1 485703129 FLVPUMVNIKPRRS-LJQANCHMSA-N 435.337 5.520 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NC[C@@H]3CCCN(Cc4cccs4)C3)c2)cc1 486017151 OLKDPYGXKYGJJF-FQEVSTJZSA-N 431.561 5.054 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc3ncccc23)nnc1-c1ccccc1C 488916556 VYSPVGCRRAURPV-KRWDZBQOSA-N 429.549 5.107 30 20 IKED COc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1OC(C)C 490631776 RTIDOKDEAZNHKX-UHFFFAOYSA-N 430.504 5.380 30 20 IKED C=CCN(C(=O)Cc1csc(-c2ccc(OCC)cc2)n1)c1nc2c(s1)CCCC2 498347178 VMILIXZCBNRSMU-UHFFFAOYSA-N 439.606 5.306 30 20 IKED CCC(C)(C)NC(=O)[C@H](C)Sc1nc(-c2ccc(C)o2)cc(C(F)(F)F)c1C#N 504504915 WCNCYXRBEYBZJL-LBPRGKRZSA-N 425.476 5.326 30 20 IKED CC[C@@H](C)n1c(SCC(=O)N[C@H](C#N)c2ccccc2Cl)nnc1-c1ccccc1 505638934 OZBGLDYYLUAXDM-DNVCBOLYSA-N 439.972 5.043 30 20 IKED CCOc1cc(CN(C)C(=O)Nc2cc(C#N)ccc2OC(C)C)ccc1OC(F)F 507788787 PVWPXEVQUGTHKN-UHFFFAOYSA-N 433.455 5.009 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1 507812770 PEIGJEJOHNNLBK-MRXNPFEDSA-N 444.466 6.030 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)cc1 507825118 LBLQAYMQJMXZJT-QGZVFWFLSA-N 449.938 6.069 30 20 IKED C=CCN(Cc1cccs1)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 508608518 KDTZARHYHXDHRW-UHFFFAOYSA-N 430.529 5.504 30 20 IKED C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@@H](c2cccs2)C1 508701515 WJZWYBUFUMCNRW-OAQYLSRUSA-N 438.597 5.114 30 20 IKED N#Cc1ccc(C(=O)O)nc1/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 509693122 XDERMRPHOVEECC-YWEYNIOJSA-N 438.270 5.381 30 20 IKED CC(C)(CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1 510987702 SNLNCOCWRUQPOA-UHFFFAOYSA-N 445.485 5.108 30 20 IKED CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 511611860 SFQSQDZUWNILFY-FUHWJXTLSA-N 439.943 5.227 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H](c1cccc2ccccc12)C(F)(F)F 511770997 CMRUTTOXILHHQB-HSZRJFAPSA-N 439.437 5.240 30 20 IKED Cc1c(Cl)cccc1-n1c(Sc2ncc(C#N)cc2Cl)nnc1-c1ccncc1 513610840 ZUEAMTATTZBQNU-UHFFFAOYSA-N 439.331 5.362 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c1C#N 515185195 IXSNFXYIAWIYII-UHFFFAOYSA-N 443.532 5.449 30 20 IKED N#Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)c(C(F)(F)F)c1 515759059 FYXJIOYWOVXABR-UHFFFAOYSA-N 449.281 5.237 30 20 IKED CCc1nc(C(=O)Nc2ccccc2SCCC#N)nn1-c1c(Cl)cccc1Cl 517440885 BQVPSRANMKKXCI-UHFFFAOYSA-N 446.363 5.395 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1cccc(Br)c1 518147673 GLYGHWYPEDGUBU-AWEZNQCLSA-N 435.412 5.715 30 20 IKED COc1ccc([C@@H](NC(=O)CCCCOc2cccc(C#N)c2)c2ccc(C)cc2)cc1 518378222 WLLHTKLIURPZHH-MHZLTWQESA-N 428.532 5.330 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccccc4Cl)o3)n2)cc1 518516514 IDDZGKKGOVGRBG-KRWDZBQOSA-N 434.904 6.222 30 20 IKED Cc1oc(-c2cccs2)nc1CSCC(=O)Nc1ccccc1S[C@@H](C)CC#N 518667228 YRDMIIZASWGYJF-AWEZNQCLSA-N 443.619 5.978 30 20 IKED Cc1nc(-c2ccc([C@@H](C)NC(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)cs1 518683308 PVIZKAXDRRYMBG-JKSUJKDBSA-N 436.606 6.253 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCCc1ccc2nc(O)[nH]c2c1 518946263 MSBUEVDIEXEXRP-UHFFFAOYSA-N 442.494 5.144 30 20 IKED N#Cc1ccccc1COc1cccc([C@H]2Nc3ccccc3C(=O)N2Cc2cccnc2)c1 519514835 SYRDYGADXMUINH-MHZLTWQESA-N 446.510 5.299 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccco2)cc1 520577238 RVMOPRAAAGIZFP-VWLOTQADSA-N 439.471 5.863 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)sc1-c1ccc(F)cc1 524014662 RHWAKQJEJZCXJY-IBGZPJMESA-N 443.528 6.348 30 20 IKED CCc1c(C)sc(NC(=O)CSc2nnc(-c3ccccc3)n2[C@H](C)CC)c1C#N 524330776 CBMGMHNXJCPLOM-CQSZACIVSA-N 439.610 5.451 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnc(-c2ccccn2)s1 524388104 JIZUWOWKTPXQFH-UHFFFAOYSA-N 426.501 5.217 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)NC3(c4ccc(Cl)cc4)CCOCC3)c2)c1 524505931 SQPZDIIREAFMOL-UHFFFAOYSA-N 446.934 5.226 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1 530563672 JYNRUQYXDBMQPS-UHFFFAOYSA-N 439.499 5.056 30 20 IKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N 532490319 XKDJSRMWNYZUPC-CVEARBPZSA-N 435.515 5.731 30 20 IKED CN(C(=O)c1ccc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cc1)c1ccccc1 533852018 CHUFWLILJNENGM-HXUWFJFHSA-N 438.314 5.265 30 20 IKED COCc1nc(C)c(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)s1 535385495 CJRVNBPROIHKMQ-UHFFFAOYSA-N 447.438 5.533 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@@H](OCC(F)(F)F)C2)cc1Cl 535625267 BGYVBZLGBUTGMY-MRXNPFEDSA-N 438.833 5.187 30 20 IKED C=CCCC(=O)CSc1nc2scc(-c3ccccc3Cl)c2c(=O)n1CCOC 536500950 CKFUIEBIANDJML-UHFFFAOYSA-N 448.997 5.052 30 20 IKED Cc1noc(CSc2ccccc2C(=O)NCc2ccc(-c3ccccc3C#N)cc2)n1 536887131 RURYQOLNVCCWHR-UHFFFAOYSA-N 440.528 5.139 30 20 IKED C[C@H](N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(C#N)c(F)c1 537409677 VQQFZRPLMRIJKG-WNSKOXEYSA-N 442.943 5.194 30 20 IKED N#C[C@@H](C(=O)c1cc(OC(F)F)cc(OC(F)F)c1)c1nc2ccccc2n1C(F)F 539463082 FFYCHJWZEQCABO-LBPRGKRZSA-N 443.303 5.124 30 20 IKED Cc1cc([C@H](C#N)C(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)nc(C)n1 540778281 HERNPNWRFOVGGG-IBGZPJMESA-N 444.564 5.254 30 20 IKED N#Cc1ccc(CN(C(=O)c2csc(-c3ccc(Br)s3)n2)C2CC2)cc1 541366345 OUFQXPQUACASDD-UHFFFAOYSA-N 444.379 5.311 30 20 IKED C=CCN(C(=O)c1oc(C2CC2)nc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 541835391 MEKXKZPAUIMSDD-UHFFFAOYSA-N 434.348 6.124 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3nc4ccc(Br)cc4[nH]3)o2)cc1 542712364 KITAOXMKDJUVOZ-UHFFFAOYSA-N 443.326 5.233 30 20 IKED N#CCC[C@H](NC(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1ccccc1 543180247 NHQADDDCLAYQSR-QFIPXVFZSA-N 445.394 5.302 30 20 IKED CC(C)NC(=O)Cc1ccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 543853028 VWVOVJVZPNZIEI-LJQANCHMSA-N 440.547 5.175 30 20 IKED Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 543889348 URKGSIJAUNEZEA-AWEZNQCLSA-N 442.976 5.511 30 20 IKED C=CCSc1ccccc1C(=O)Nc1nccn1Cc1ccc(Br)cc1 547949727 LXUDQHKOWRUYJV-UHFFFAOYSA-N 428.355 5.224 30 20 IKED C[C@H]1Sc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2NC1=O 548927251 IFRLURDHKLQUHA-ABAIWWIYSA-N 439.949 5.386 30 20 IKED Cc1c(C(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)sc2ccc(C#N)cc12 555785531 GXHOTFFYQOPGCV-UHFFFAOYSA-N 441.516 5.050 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 563878670 YDNZEYUYKHCGPA-UHFFFAOYSA-N 441.918 6.033 30 20 IKED C=CCN(C(=O)c1ocnc1C1CC1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 569403571 JQERSXQPRPODTQ-UHFFFAOYSA-N 427.529 6.175 30 20 IKED CCn1c(SCc2ccc(C#N)cn2)nnc1-c1cc(-c2ccccc2)nc2ccccc12 574586196 JAVYBLITGBQULR-UHFFFAOYSA-N 448.555 5.739 30 20 IKED C=C(C)Cn1c(SCc2nc(C3(c4cccc(C)c4)CC3)no2)nnc1-c1ccco1 578685585 KCCVDHFPHNLEGI-UHFFFAOYSA-N 433.537 5.178 30 20 IKED C=C(C)Cn1c(N2CCC(c3ncc(C)s3)CC2)nnc1C(F)(F)Oc1ccccc1 583947348 KUTHAJYPRGCPSJ-UHFFFAOYSA-N 445.539 5.131 30 20 IKED N#C[C@H](C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1nc2ccccc2n1C(F)F 603846079 ZXFGQAMZKZYLNH-MRXNPFEDSA-N 447.401 5.573 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 604085373 AIAKCVIMRNJMIF-UHFFFAOYSA-N 428.467 5.170 30 20 IKED COc1ccccc1[C@H]1CCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 609047055 REXCEXIEZYKUPS-HSZRJFAPSA-N 440.503 5.188 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@H](Nc3ccccc3)C2)cc1 609207051 FTTAQKHZXQHPAX-QHCPKHFHSA-N 426.520 5.050 30 20 IKED N#C[C@H](C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1nc2cc(F)ccc2s1 609322097 ZPUXJOQDCPCOBV-MRXNPFEDSA-N 432.436 5.577 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSC(c1ccccc1)c1ccccc1 609369727 IXOAJGIYALMACY-IBGZPJMESA-N 432.614 6.542 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Br)c(F)c1 609378378 FJGQNLGCTVUONK-UHFFFAOYSA-N 447.251 5.865 30 20 IKED C[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(Oc2ccccc2)cc1 609421479 XTGFIDUPWDVQRB-OAQYLSRUSA-N 441.531 5.383 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCS[C@@H](c3ccccc3)C2)cc1C 609795137 RIYNWOKLVFJETD-HSZRJFAPSA-N 430.577 5.011 30 20 IKED C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 609927713 JAHCHYWUHONUOV-UTKZUKDTSA-N 442.494 5.360 30 20 IKED Cc1ccccc1COc1ccc([C@@H](C)NC2CCN(c3ccc(C#N)cn3)CC2)cc1 610809878 GRDWACNNPILYMK-OAQYLSRUSA-N 426.564 5.160 30 20 IKED N#C[C@@H](C(=O)c1ccccc1NC(=O)c1ccsc1)c1nc2cc(Cl)ccc2s1 613407537 XXMVMXZKVJSDAB-HNNXBMFYSA-N 437.933 5.754 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)NCc2ccc(C#N)c(Cl)c2)cc1 619769743 QCMDSWGDAAQORM-KRWDZBQOSA-N 433.939 5.790 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)NCc2ccc(C#N)c(Cl)c2)nc1-c1ccccc1 619828185 OCHRRHWWINXUOO-NRFANRHFSA-N 448.954 6.037 30 20 IKED O=C(c1cc(F)c(C(F)(F)F)c(F)c1)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 622498747 CUKMGIUZLYZQAO-HNNXBMFYSA-N 439.302 5.216 30 20 IKED CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1occc1COc1cccc(C#N)c1 726500929 UINXEXIFTOOVNL-UHFFFAOYSA-N 428.410 5.411 30 20 IKED N#C[C@@H](C(=O)CSc1cc2c(cc1Cl)OCCO2)c1nc(-c2ccccc2)cs1 727268539 PIBWTGNXQMASJK-AWEZNQCLSA-N 442.949 5.203 30 20 IKED COc1ccccc1/C(C)=C\C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 727627000 JRGHSQLABPTZQS-GQPJMJRUSA-N 443.355 6.405 30 20 IKED COCc1c(Br)cccc1NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 728274199 PQKRLJOOJYSUFG-UHFFFAOYSA-N 438.325 5.127 30 20 IKED N#Cc1cc(F)ccc1CSC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1 728441980 YFQYAIXEBNVXOL-WSDLNYQXSA-N 431.467 5.514 30 20 IKED N#C[C@H](C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1nc2cc(F)ccc2s1 730420829 HHGIAAYJELXIBT-ARFHVFGLSA-N 433.533 5.971 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1 730989301 KFDJGVJXJYOHBQ-CQSZACIVSA-N 429.517 5.677 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 731105381 IIZJMVNAWYYQRP-UHFFFAOYSA-N 446.595 5.059 30 20 IKED Cn1c(CC(=NOCc2ncc(-c3ccc(F)cc3)o2)c2ccccc2)nc2ccccc21 731664193 BFACYNAWZGVSBV-UHFFFAOYSA-N 440.478 5.531 30 20 IKED Cn1c(CC(=NOCc2cc(Cl)c3c(c2)OCO3)c2ccccc2)nc2ccccc21 731664585 SKUZFMYRVBWACF-UHFFFAOYSA-N 433.895 5.119 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2)nc1 731972915 RNYNLKMXEAXUPP-RUZDIDTESA-N 430.467 5.653 30 20 IKED CCCCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 732065787 CLFMATQYFDISHE-QHCPKHFHSA-N 447.579 5.094 30 20 IKED Cc1c(C(=O)COC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)sc2ccccc12 732398951 GPEAHGAAIFKJLT-UHFFFAOYSA-N 428.469 5.308 30 20 IKED C#CCN(C(=O)Nc1c(C)cc(C)cc1C)[C@H]1CCOc2ccc(Br)cc21 733615573 SNNQROHXOXXHNZ-IBGZPJMESA-N 427.342 5.365 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1 733771647 QGTZVFHNIFWGHG-QHCPKHFHSA-N 436.515 5.150 30 20 IKED CC(C)[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)NC(=O)OC(C)(C)C 734644739 UHFUAHMPNKVFCR-VXKWHMMOSA-N 436.556 5.013 30 20 IKED O=C(O)c1ccccc1COc1cccc(/C=C/C(=O)c2c(Cl)nc3ccccn23)c1 737445880 HRJUDBSMJZHJNZ-VAWYXSNFSA-N 432.863 5.161 30 20 IKED N#CCN(Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccco2)c1=S)C1CCCC1 738256048 GHNYBJUFEBEEIO-UHFFFAOYSA-N 427.961 5.101 30 20 IKED C=CCn1c(SCc2ccc(OC)c(SC(F)(F)F)c2)nnc1-c1ccco1 741849923 MCQXDSRQFOUPKK-UHFFFAOYSA-N 427.473 5.637 30 20 IKED C[C@@H](N/C=C1/C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21)c1cccc(C#N)c1 743246151 AFAZXXKKSLQWAE-GXPOEHQZSA-N 427.891 5.090 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C[C@@H](Cc1ccccc1)c1ccccc1 744028343 GVOCXKBTPJLMES-CLJLJLNGSA-N 438.571 5.875 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 744030811 MAKYIRLUYPRANU-KKUMJFAQSA-N 442.129 5.751 30 20 IKED C#CCN(Cc1ccc(F)cc1)Cn1nc(-c2ccncc2)n(-c2ccccc2C)c1=S 744146779 VOVBUDVBIOHPPA-UHFFFAOYSA-N 443.551 5.006 30 20 IKED COc1ccc(/C=C2/N=C(c3ccc(Cl)c(Cl)c3)OC2=O)cc1OCCCC#N 747363004 URFAIFFGSROPMS-LICLKQGHSA-N 431.275 5.029 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 752047048 YXFUQRASDRSGPC-TWJOJJKGSA-N 436.511 5.053 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 753297196 BNHMDVPFMIBMQM-LZYPDUGYSA-N 425.532 5.631 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 755880937 BTHQLXIGHCRBGP-KRWDZBQOSA-N 434.323 5.264 30 20 IKED C[C@@H](OC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1nc2ccccc2n1C(F)F 757858044 JOKREKBPMXSCKO-OAHLLOKOSA-N 435.434 5.127 30 20 IKED CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)C1 759219664 ZJECUYHLUBDISA-SJLPKXTDSA-N 425.554 5.024 30 20 IKED CN1C/C(=C\c2ccc(Cl)nc2Cl)C(=O)/C(=C/c2ccc(Cl)nc2Cl)C1 761473917 JIWPUEVOWCGBCN-PWHKKFIBSA-N 429.134 5.072 30 20 IKED N#CCOc1cccc(Cc2nc(-c3ccccc3-c3ccc(Cn4cccn4)cc3)no2)c1 761536001 YMKZQTGDNGNOPQ-UHFFFAOYSA-N 447.498 5.142 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)s2)cc1 761688581 NQPIVFVMEZLETN-AVRDEDQJSA-N 446.576 5.143 30 20 IKED COc1ccc(C(=O)/C=C/c2cn(Cc3ccccc3)nc2C(C)(C)C)cc1NC(C)=O 763291211 XOYTUDKXRYCVIQ-ACCUITESSA-N 431.536 5.092 30 20 IKED CC(C)n1cc2c(n1)[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)CCC2 765933063 PYJWFGFNWHODQW-XMMPIXPASA-N 445.542 5.264 30 20 IKED N#C[C@H](C(=O)c1ccccc1NCc1cccnc1)c1nc(-c2c(F)cccc2F)cs1 776085245 ZLXCQDPLBATVAE-QGZVFWFLSA-N 446.482 5.585 30 20 IKED CC(=O)N(c1nc(COC(=O)c2ccc(C#N)c(Cl)c2)cs1)c1ccc(C)cc1C 778545605 TWBCSUXJOGMLDW-UHFFFAOYSA-N 439.924 5.327 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(C#N)cc2F)c([N+](=O)[O-])cc1OCc1ccccc1 781108822 TXWHHWDPOCIRKV-NTMALXAHSA-N 432.407 5.089 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)nc1 791540344 FIVZBDBGYPIICN-UHFFFAOYSA-N 444.491 5.274 30 20 IKED COc1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)cc1NC(=O)OC(C)(C)C 794222255 MLBBFLGMLLRKBK-UHFFFAOYSA-N 437.521 5.689 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)OC(=O)c1ccnc(C#N)c1 796724473 UEUBBPZFXNPQIO-LBPRGKRZSA-N 428.311 5.066 30 20 IKED Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)cc1C#N 799310323 WEJVJJXJEXLUEI-UHFFFAOYSA-N 441.384 5.529 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(c2ccc(Br)cc2)CC1 800557617 WUZMYOYMLSOIST-OAHLLOKOSA-N 428.330 5.151 30 20 IKED C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](c2nc3ccccc3s2)C1 800773258 DATZLBFAUNLLHC-INIZCTEOSA-N 436.972 5.173 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 801756102 XOLKFETURSNWIL-SANMLTNESA-N 441.616 5.793 30 20 IKED O=C(Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1)c1cccnc1F 806385161 XZVBXMFZOGHZQY-UHFFFAOYSA-N 449.351 5.558 30 20 IKED CC(=NNc1nc(O)c2cnn(C(C)(C)C)c2n1)c1ccc(-c2c(F)cccc2F)cc1 811642430 QUJXGTWWRHWQOT-UHFFFAOYSA-N 436.466 5.068 30 20 IKED Cn1ccnc1COc1ccc(C(=O)/C=C\c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 811689188 ZBOPBHPAUSYZPN-DAXSKMNVSA-N 432.263 5.110 30 20 IKED COC(=O)c1ccc(Cl)c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 811895894 CISJSKJXCTVTCF-UHFFFAOYSA-N 442.846 5.403 30 20 IKED Cn1cc(/C=C2\CC(C(C)(C)C)C/C(=C\c3cn(C)nc3C(F)F)C2=O)c(C(F)F)n1 812240109 JQFBSFGOYAWNDM-PWHKKFIBSA-N 438.469 5.521 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 813623234 OAVQUUUWELUJNO-IBGZPJMESA-N 442.462 5.192 30 20 IKED N#C[C@H](C(=O)Cc1c[nH]c2cccc(Cl)c12)c1nc(-c2c(F)cccc2F)cs1 815925377 CHMLCVWXBKGCNL-GFCCVEGCSA-N 427.863 5.642 30 20 IKED CCCCOc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC 915349962 CWJXKCKFQPNYAP-DEOSSOPVSA-N 443.547 5.851 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(F)c(Br)c1 916310379 YWAQXHVWQZGPEM-UHFFFAOYSA-N 442.313 5.217 30 20 IKED N#CCOc1cccc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CCC3)c1 916410540 GLYNNQZOGJYWGU-FBMGVBCBSA-N 435.483 5.859 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1ccc2ccccc2n1 916849296 ODZVLBRFECLLIC-UWJYYQICSA-N 438.314 5.023 30 20 IKED C=CCc1ccccc1OC(=O)CCSCc1nc(O)c2c3c(sc2n1)CCCC3 916859150 ONAURJCGUJOJPS-UHFFFAOYSA-N 440.590 5.233 30 20 IKED CCCCOc1c(Cl)cc(C(=O)[C@H](C#N)C(=O)Nc2cccc(C)c2)cc1OCC 916896562 KQHXAQRUHVBPQJ-SFHVURJKSA-N 428.916 5.187 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCC(=O)c1ccc2ccccc2c1 916901729 OQTFYPCENUDESW-LJQANCHMSA-N 448.906 5.121 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(OCc2ccccc2)cc1 916903855 XFIKFLRVBDCORR-FQEVSTJZSA-N 448.906 5.197 30 20 IKED COc1cc(OC)c(OC)cc1/C=C/C(=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 917605121 OVHXBEATJYTWSG-CMDGGOBGSA-N 425.462 5.245 30 20 IKED N#CCc1ccc(OCc2cccc(NS(=O)(=O)/C=C/c3ccc(Cl)cc3)c2)cc1 917749023 HMCOLMZEQRCJRX-FYWRMAATSA-N 438.936 5.398 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(Cc2cccc(F)c2)C(C)C)c1=S 919953928 PRGPQSZZRZNZQZ-UHFFFAOYSA-N 426.561 5.283 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3coc4ccc5ccccc5c34)n2)cc1 920141901 IQVLXPZNLAMQCY-NRFANRHFSA-N 438.508 6.137 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN(C2CC2)[C@@H](C)c2ccc(Cl)cc2)c1=S 920306090 SMHWHOJVVBJXJN-INIZCTEOSA-N 425.989 5.499 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)COC4)CCC2)cc1 1789454234 TYDGMNWYPSFUQM-XMMPIXPASA-N 430.548 5.233 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3ncc(C(F)(F)F)cc3Cl)cc2)CCC1 1789870117 OKKJPIUVPAYILW-UHFFFAOYSA-N 437.849 5.078 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CC(C)(C)C(=O)OC(C)(C)C)cc2)CCC1 1790355595 XZMKHJFTWKDQNG-GOSISDBHSA-N 442.600 5.091 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C2(C)CCCCC2)[C@H]1c1cccnc1 1802502155 WXUOZOVWEVJLOK-VXKWHMMOSA-N 425.617 5.050 30 20 IKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1 1812596435 QXMBMSOTYFATCH-SSPYTLHUSA-N 427.633 5.296 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2csc(-c3ccccc3)n2)n[nH]1 1818363096 VQTHLNFTYYPWJU-JXFKEZNVSA-N 449.580 5.051 30 20 IKED Cc1cscc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823213143 UONCJWAOJYJVAP-QVKFZJNVSA-N 447.564 5.026 30 20 IKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2oc3ccccc3c2C)CC1)C(F)(F)F 1828129462 LPOOBJJGLKVJJM-IBGZPJMESA-N 448.485 5.093 30 20 IKED Cc1ccccc1N/C(S)=C(/C(=O)c1ccc(F)cc1F)[n+]1ccc2c(c1)CCCC2 11167541 IDWPKUCEHIZQDJ-UHFFFAOYSA-O 437.535 5.490 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3ccc(CC#N)cc3)c3cnn(C(C)C)c3n2)c(C)s1 14527769 HVVVXBAOADOBKB-UHFFFAOYSA-N 429.549 5.676 30 20 IKED C=CCN(C(=O)c1oc2ccc(CCC(C)=O)cc2c1C)c1nc(-c2ccccc2)cs1 14723528 CQEIZZKFHSBWMZ-UHFFFAOYSA-N 444.556 6.219 30 20 IKED C=CCn1c(SCc2cc3ccc(SC)cc3nc2Cl)nnc1-c1ccoc1C 18779742 MHIXNMTZXHJFSH-UHFFFAOYSA-N 442.997 6.248 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2cccc(C)c2)cc1 22730589 DVEITCGZJBNIQC-UHFFFAOYSA-O 425.961 5.386 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)(C)C)cc1)=C(/S)NCc1ccccc1 22730699 LHOHQGKZKDYYMF-UHFFFAOYSA-O 431.625 5.563 30 20 IKED N#Cc1cccc(NC(=O)CCSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)c1 26368904 RZLIBWYZNGFEEF-UHFFFAOYSA-N 443.507 5.066 30 20 IKED N#Cc1ccc(OC[C@@H](O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1 61739599 MHNIGVQOVRJZNU-OAHLLOKOSA-N 439.587 5.270 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)cc1 116552862 YQYNSGYKJRAUGB-UHFFFAOYSA-N 430.508 5.440 30 20 IKED CS(=O)(=O)c1cccc([C@@H](Nc2ccc(C#N)c(Cl)c2)c2ccc(Cl)cc2)c1 301415554 ATGLWTUGRSAERX-NRFANRHFSA-N 431.344 5.470 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)cc1 303432918 GGYJRCFOZQQGLF-CVEARBPZSA-N 427.253 5.560 30 20 IKED CCCCN(C)CC1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 303547954 IXMQYRIUUJWNGS-UHFFFAOYSA-N 435.637 5.435 30 20 IKED O=C(CN1CCC(C(F)(F)F)(C(F)(F)F)C1)Nc1cc(C(F)(F)F)ccc1Cl 303672843 KDRIQQCWKCSQAW-UHFFFAOYSA-N 442.709 5.114 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Cl)cc(C(F)(F)F)c3)n2)cc1 426528053 ZLIUEMZBPVDLJR-INIZCTEOSA-N 431.826 5.844 30 20 IKED Cc1c(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)sc2ccc(C#N)cc12 428168932 DHHIAZZLBCAOPI-UHFFFAOYSA-N 447.541 5.135 30 20 IKED CN(Cc1ccccc1CNC(=O)N[C@@H](CCCC#N)c1ccccc1)C1CCCCC1 431853445 HZWMPTFFSYAIRI-SANMLTNESA-N 432.612 5.685 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 438046576 GSOOUUFWSKNXHH-MRXNPFEDSA-N 425.554 5.215 30 20 IKED C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 439310947 BDLYHPLEJWOYIK-LJQANCHMSA-N 441.535 5.093 30 20 IKED COc1cccc(Oc2ccc(N[C@@H](C)C(=O)N(CCC#N)c3ccccc3OC)cc2)c1 439565750 BSXHOMZSLAYIOP-IBGZPJMESA-N 445.519 5.243 30 20 IKED CCN(C(=O)NCC1CCC(C#N)CC1)[C@H]1CCSc2ccc(Br)cc21 440999853 PIFUDSADUMBKSW-JMLCCBQJSA-N 436.419 5.347 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cn4cc(Cl)cc(Cl)c4n3)n2)cc1 442508873 MVRVLAKTGROZRO-AWEZNQCLSA-N 438.299 5.126 30 20 IKED CC(=O)Nc1cc(C(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)ccc1F 444438274 NRYRJUJXVDGCQK-INIZCTEOSA-N 436.327 5.226 30 20 IKED CC(C)c1nc2ccccc2n1Cc1noc(-c2ccc(Oc3ccc(C#N)cn3)cc2)n1 445660293 OPPRNRYLVIDDPW-UHFFFAOYSA-N 436.475 5.317 30 20 IKED C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]1c1csc(C)n1 460543793 NNNXDVDRFJTYMR-GOSISDBHSA-N 441.626 5.262 30 20 IKED CN(C(=O)Nc1ccc(OC(F)F)cc1OC(F)F)[C@H]1CCCC[C@H]1C(F)(F)F 463497951 JDYZGVQKCCCMQV-PWSUYJOCSA-N 432.336 5.474 30 20 IKED Cc1nc(-c2cccc(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)c2)cs1 463543731 MBOOXHCBSLPMJY-DEOSSOPVSA-N 439.540 5.692 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCn4c(cc5ccccc54)C3)cc2F)c1 463745736 OBUZZFGLJNJLEK-UHFFFAOYSA-N 440.478 5.279 30 20 IKED CSc1cccc([C@@H](NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c2ccc(F)c(F)c2)c1 464115496 NKUJVPAGIDWKSI-IQMFZBJNSA-N 438.499 5.231 30 20 IKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)c12 464410736 JLPGXKGXLGZBAT-AWEZNQCLSA-N 440.381 5.510 30 20 IKED Cc1ccc(Cn2nc(C)c(CCC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c2C)cc1 464936758 CNZMPNUCEGVIAR-SXOMAYOGSA-N 440.591 5.088 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(COC(C)(C)C)c2C)cc1C 465463446 WQPMOWVQAPPYPT-UHFFFAOYSA-N 444.579 5.956 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nnc2n1CCCCC2 466979859 VJWWFBVKWZPSID-QGZVFWFLSA-N 441.318 5.594 30 20 IKED CC(C)Oc1c(Cl)cccc1NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470559076 AADDROPEOBAEMO-UHFFFAOYSA-N 440.931 5.354 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H](c1cccc(Cl)c1)C1CCCCC1 472368033 IVJNWDUAXMPSDR-QHCPKHFHSA-N 425.960 5.300 30 20 IKED OC[C@@H](NCc1ccc(OCC(F)(F)F)c(F)c1)c1ccc(Cl)cc1C(F)(F)F 475632419 FMKYBUXTTLEYCU-OAHLLOKOSA-N 445.762 5.262 30 20 IKED COc1ccc(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1F 480126939 UGUAZLOLAGAZOC-HXUWFJFHSA-N 437.902 5.507 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 480318130 JEXIAHTXDZGYFK-UHFFFAOYSA-N 446.477 5.279 30 20 IKED CC[C@H](C)n1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1C 480998060 KUOXPXFECGBVAA-NHYWBVRUSA-N 433.364 6.083 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc(C3CC3)nc2-c2ccccc2)cc1 481141479 PHYNZAKJRVJDMV-UHFFFAOYSA-N 443.572 5.754 30 20 IKED N#C[C@H](C(=O)c1oc2ccccc2c1CSc1ncccn1)c1nccc2ccccc12 483204656 SGXNJJRHAJUVMV-IBGZPJMESA-N 436.496 5.553 30 20 IKED Cc1c([C@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C(C)C)oc2ccccc12 483220997 DLXYJCCITNWTHA-KSFYIVLOSA-N 449.576 5.588 30 20 IKED CC(C)CN(C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)[C@@H](C)c1ccccc1Cl 483446388 LREFRAVSPBYLFJ-SJORKVTESA-N 447.988 5.277 30 20 IKED CC(=O)c1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(C)nc1C 486227489 OZWGYWYBHDXWKR-UHFFFAOYSA-N 433.895 5.257 30 20 IKED COc1cccc(C2CCN(C(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)CC2)c1 498753924 OSEPLBKOKMTVHX-UHFFFAOYSA-N 442.563 5.109 30 20 IKED CCOCc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 500906436 YQYZAXYJFOBKRB-HSZRJFAPSA-N 433.939 5.854 30 20 IKED N#C[C@@H](C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1nc(-c2ccccc2)cs1 501341101 NNCOMBKJTHJSQI-INIZCTEOSA-N 445.935 5.412 30 20 IKED CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(Oc2ccnc3ccccc23)cc1 503105878 JCMQUKGBCNXUEV-RUZDIDTESA-N 431.492 5.227 30 20 IKED CC[C@@H](C)n1c(SCC(=O)Nc2cc(C#N)ccc2OC(C)C)nnc1-c1ccccc1 504060656 SJYANGSTBXYQEJ-QGZVFWFLSA-N 449.580 5.306 30 20 IKED N#Cc1ccc(CC(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 504063214 YSTQXDONLGYFKS-UHFFFAOYSA-N 438.409 5.402 30 20 IKED N#CCCCCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 505092431 IUHFBKONTMHSJV-ZPHPHTNESA-N 440.503 5.444 30 20 IKED C=CCn1c(SCc2cnc(C)nc2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 505444214 PDBGNXNISTYLRX-UHFFFAOYSA-N 438.553 5.149 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 505697318 GLNZSMKNSPWERU-UHFFFAOYSA-N 429.388 5.266 30 20 IKED C[C@@H](NC(=O)Nc1ccc(F)cc1OCCC(F)(F)F)c1nc(C(F)(F)F)cs1 505834990 YVUKXGDAEUCAJL-MRVPVSSYSA-N 445.360 5.515 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 508067912 AUMKEHUFAKKENW-UHFFFAOYSA-N 448.489 5.003 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OCc4ccccc4)nc3)n2)cc1 508212266 ZDRPIQNOKLTPLY-OAQYLSRUSA-N 425.513 5.583 30 20 IKED COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 509671439 FCQLOVLHCHSFEM-MRXNPFEDSA-N 432.501 5.256 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1 510646649 HJZKLLGLSRGTGR-UHFFFAOYSA-N 443.507 5.231 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(Br)s1 510731323 FDQBVZBIFLVDLG-UHFFFAOYSA-N 442.338 5.805 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(Sc4nncs4)c(Cl)c3)CC2)c1 510843763 XCNTTYYJIHUUBJ-UHFFFAOYSA-N 430.917 5.024 30 20 IKED N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccc3ccccc23)c(C(F)(F)F)c1 511954126 IZRRCZUXYCKWKA-FQEVSTJZSA-N 430.451 5.256 30 20 IKED C=CCn1c(SCC(=O)N(CC)c2ccc(F)c(F)c2)nnc1-c1ccc(Cl)cc1 514536321 NGNVTIXFRNVLBN-UHFFFAOYSA-N 448.926 5.208 30 20 IKED Cc1nc(SCC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c(C#N)c(C)c1C 515627763 SFXXPNSSGBLLHD-UHFFFAOYSA-N 444.585 5.308 30 20 IKED Cc1ccc2c(c1)CC[C@@H]2NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 516730763 QNLFTBJAFJTJDK-VWNXMTODSA-N 443.934 5.046 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c3c(C)noc3n2)c(C)o1 519423894 JKABBIGTXYLLAL-CYBMUJFWSA-N 446.532 5.912 30 20 IKED COc1ccc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)N(C)C[C@@H](C)C#N)cc1 519448257 CTJHZBCXWICOMW-ICQVEAKNSA-N 439.559 5.598 30 20 IKED C[C@H]1C[C@H](c2ccccc2)N(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 519753201 GNCWAJYUQNGIGH-RXFWQSSRSA-N 425.532 5.947 30 20 IKED Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 520924105 IYZZKELVBLJZKM-INIZCTEOSA-N 435.549 5.446 30 20 IKED C[C@@H](Sc1ccc(Br)cc1)C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 521886382 VEUHAENGNMOJEP-BDJLRTHQSA-N 443.288 5.330 30 20 IKED Cc1ccc(C[C@@H](NCc2cccc(OCc3ccccc3C#N)c2)c2ccccn2)cc1 523734441 SZGXPPILEIXSLF-GDLZYMKVSA-N 433.555 5.914 30 20 IKED CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C(C)C)cc1 524433106 NARWYSZIJBOTJU-BTYIYWSLSA-N 443.494 5.125 30 20 IKED N#CCCN(Cc1cccnc1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 525580290 LGGYPQBHVSBCLL-UHFFFAOYSA-N 427.291 5.132 30 20 IKED N#C[C@H](C(=O)c1csc([C@@H]2CCCO2)n1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 535960546 UWAFUBRKRZRAEP-CDFHVCLPSA-N 439.606 5.409 30 20 IKED N#C[C@@H](C(=O)c1csc([C@@H]2CCCO2)n1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 535960562 UWAFUBRKRZRAEP-NEUWCYNISA-N 439.606 5.409 30 20 IKED CC(=O)N(c1nc(CN(CC(C)C)c2ccc(C#N)cc2)cs1)c1c(C)cc(C)cc1C 535963566 LTMLGZXJWUYNCC-UHFFFAOYSA-N 446.620 6.287 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccnc(OC4CCCCC4)c3)n2)cc1 537879284 UBRKDVVRARZLRE-FQEVSTJZSA-N 428.517 5.278 30 20 IKED N#CCSc1ccccc1NC(=O)CNc1ccc(Br)c2ccccc12 537992915 FPAILQBXWPLYHC-UHFFFAOYSA-N 426.339 5.269 30 20 IKED COc1ccccc1Nc1nc2sc(C(=O)N(CCC#N)Cc3ccccn3)cc2s1 540495892 VGHUNWPOVATBMV-UHFFFAOYSA-N 449.561 5.061 30 20 IKED N#Cc1ccc(-n2ccc(NCc3nnc(-c4c(Cl)cccc4Cl)o3)n2)c(Cl)c1 542006958 XGNRJJLCQFEJNQ-UHFFFAOYSA-N 445.697 5.366 30 20 IKED Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 542023443 DOBNHNMWAJMWRS-QHCPKHFHSA-N 429.524 5.840 30 20 IKED COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1 544233659 QWYYRHPMFBXJCP-KUHUBIRLSA-N 433.430 5.123 30 20 IKED Cc1ccc(CN(Cc2cccs2)C(=O)NCC2(CC#N)CC2)c(Br)c1 546309451 AKQDEUFZJXWDGX-UHFFFAOYSA-N 432.387 5.225 30 20 IKED Cc1cccc(Oc2ccc(Cl)cc2NC(=O)N2CCC(C#N)(c3ccccn3)CC2)c1 548802505 KAGOGZVAEQAOMG-UHFFFAOYSA-N 446.938 5.925 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cnc(-c2cccnc2)s1 551322228 KYADCZBDIBTEMF-UHFFFAOYSA-N 434.468 5.482 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C 554418330 WUWWHHOIDOEOLL-UHFFFAOYSA-N 445.567 5.635 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3cc4ccccc4s3)c2)c1 557298436 ZAXZIQUGOAFFJM-UHFFFAOYSA-N 426.501 5.347 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)NCC(C)(C)CCC#N 558307008 UZGUMPZYEHYERA-UHFFFAOYSA-N 446.473 5.718 30 20 IKED O=C(CC(F)(F)F)Nc1ccc(NC(=O)Nc2cc(F)c(OC(F)F)cc2F)cc1 558775402 OTSUTINSCAGAJT-UHFFFAOYSA-N 439.287 5.101 30 20 IKED CN(C)c1nc2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2[nH]1 563318510 CSCWRZSMUPHVCU-UHFFFAOYSA-N 427.533 5.045 30 20 IKED FC(F)(F)CN1CC[C@H](c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)C1 564220618 KSTGKUWPMSRXJP-QMMMGPOBSA-N 433.274 5.126 30 20 IKED Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 565126615 SXZOPDUUXVATLL-QUCCMNQESA-N 437.609 5.431 30 20 IKED N#C[C@@H](C(=O)c1ccc2oc(O)nc2c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 565141638 JYHHKKODLRPZFK-LBPRGKRZSA-N 430.272 5.454 30 20 IKED CC1(C)CN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)Cc2ccccc2O1 572729031 LJJNSKQBWFFJFU-UHFFFAOYSA-N 437.971 5.018 30 20 IKED Cn1ncc2ccc(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cc21 575798363 RAIOYCZUPHIOBJ-OAQYLSRUSA-N 429.911 5.204 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)Cc3csc(Cc4cccc(Cl)c4)n3)c2C#N)C1 603615205 CMFKJNGMMCRKOR-ZDUSSCGKSA-N 442.009 5.626 30 20 IKED C[C@@H](SCC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1nc2ccccc2[nH]1 603622720 XDXNPEZYBGTKNW-OAHLLOKOSA-N 429.505 5.055 30 20 IKED Cc1ccc(Oc2ccccc2NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 603649428 IEDZRPUBMNUXGY-UHFFFAOYSA-N 440.547 5.399 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H]2Cc2c(F)cccc2Cl)o1 603964249 LKNCQOBULQUXPP-QGZVFWFLSA-N 438.886 5.370 30 20 IKED N#Cc1c(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)sc2c1-c1ccccc1CC2 603991595 CRDOOHIXYCEPIA-UHFFFAOYSA-N 449.963 5.187 30 20 IKED N#C[C@H](Cc1ccccc1)Sc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 604008042 HAZJMIHBOHIYGH-FQEVSTJZSA-N 430.964 5.874 30 20 IKED CCc1cc(C#N)c(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)s1 604029365 UWVLMKWKDVKLSY-UHFFFAOYSA-N 428.311 5.384 30 20 IKED CCCC(=O)Nc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 604175739 SYXWTQRAKWZGTD-UHFFFAOYSA-N 429.545 5.841 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)cn2)cc1 604241947 YTXLPMVHAXZYGX-UHFFFAOYSA-N 449.470 5.642 30 20 IKED C[C@@H](CC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 606182617 VWFCKXVVPICIQL-LEWSCRJBSA-N 435.330 5.788 30 20 IKED COc1ccc(COCCCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 608995902 LRQJHDIZIXTVMW-UHFFFAOYSA-N 431.492 5.088 30 20 IKED C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(OCC(F)(F)F)cc1 609058701 LVZXFNOMUJUVDI-OAHLLOKOSA-N 444.409 5.162 30 20 IKED CCCCN(C)CC1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CC1 609079314 VRHRPUPYTOEESH-UHFFFAOYSA-N 448.611 5.422 30 20 IKED CCCOc1ccccc1Oc1ncccc1CNC(=O)c1cc2ccccc2n1CC#N 609165770 SNFVJWFZHZXIGS-UHFFFAOYSA-N 440.503 5.071 30 20 IKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)N[C@@H]1CCOc2ccccc21 609387096 LHNFKWHBMCIQIU-RHSMWYFYSA-N 449.498 5.152 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)c1 609723279 ZYIJXPLENIZWIC-CTNGQTDRSA-N 442.968 5.131 30 20 IKED CCOC(=O)c1ccccc1N(C)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 609723835 FNCLXFLXPSSESK-UHFFFAOYSA-N 434.879 5.457 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)Nc3ccc(OCC4CCOCC4)cc3)cn2)c1 609928362 SBAGOGFNAKOFTD-UHFFFAOYSA-N 444.491 5.195 30 20 IKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cn3ccc(=O)c4sccc43)c2C#N)C1 610206875 WXCJELXLPMERKR-AWEZNQCLSA-N 439.606 5.176 30 20 IKED Cc1ccc(-c2nc3c(s2)[C@@H](NC2CCN(c4ccc(C#N)cn4)CC2)CCC3)cc1 610809992 XYEBLDBNFPRMAP-NRFANRHFSA-N 429.593 5.021 30 20 IKED COc1ccc(C#N)cc1CN1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 610953716 QGHFWRBNESYQSL-VWLOTQADSA-N 446.595 5.256 30 20 IKED COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1sc2c(c1C#N)CCCCCC2 614956630 DCZPPEHXIFYYKP-UHFFFAOYSA-N 440.565 5.288 30 20 IKED O=C(NCc1cccc(F)c1)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 616061802 ZOCJNJCMUTYIII-UHFFFAOYSA-N 440.315 5.030 30 20 IKED CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 619429676 XMKVIULLXQWOOQ-DQEYMECFSA-N 432.564 5.050 30 20 IKED CN(C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1CCCC[C@H]1C(F)(F)F 643634160 IYBBWCVJBKFGNQ-WFFHOREQSA-N 442.366 5.658 30 20 IKED CC[C@@H](C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 674491854 GZZGZICFMDHUKB-CBBWQLFWSA-N 449.357 6.225 30 20 IKED N#C[C@@H](C(=O)c1sc(-c2ccccc2)nc1C(F)F)c1nc(-c2ccccc2)cs1 677792065 VUOMWDSGFSMUOA-HNNXBMFYSA-N 437.496 6.361 30 20 IKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(C)cc2)cc1 726570989 PPCYFWXDDFWUMR-UHFFFAOYSA-O 448.999 6.083 30 20 IKED N#Cc1ccc(NC(=S)/C(=C(/O)c2cc3ccccc3o2)[n+]2cccc(O)c2)cc1Cl 726571271 QEISVBHRXHHBMS-UHFFFAOYSA-O 448.911 5.274 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1[nH]c2ccc(F)cc2c1Cl 731072232 ALSFSCUAETYFNJ-GFCCVEGCSA-N 445.903 5.150 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1[nH]c2ccc(F)cc2c1Cl 731072233 ALSFSCUAETYFNJ-LBPRGKRZSA-N 445.903 5.150 30 20 IKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1sc2cc(C(C)C)ccc2c1Cl 732708560 PYGSSMMKSVDKJY-OAHLLOKOSA-N 426.925 5.648 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1 734322407 UHQDJCSCAMUYGW-UHFFFAOYSA-N 443.503 5.737 30 20 IKED CN1C(=O)C[C@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)[C@@H]1c1cccc(Cl)c1 734392015 NTSQSBNXAFCGGB-ARNLJNQMSA-N 443.934 5.154 30 20 IKED C=CC[C@H](NC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccncc1 734661416 MHSYBGIMSIYEDZ-SBUREZEXSA-N 432.499 5.151 30 20 IKED C[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc2c(c1)CC(=O)N2C 735009948 SYWNCEFTSMSGHG-HNNXBMFYSA-N 445.906 5.014 30 20 IKED C=CCCCN(C)C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 736516799 GLMFNQGCXBUMGS-UHFFFAOYSA-N 441.647 5.994 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H](c3ccc4c(c3)OCCO4)C3CC3)c2)s1 740037043 VFQDENRXZJCTGM-XMMPIXPASA-N 445.544 5.008 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCC(OCc4ccccc4)CC3)c2)s1 740059489 JUTKSVSDPKAGME-UHFFFAOYSA-N 431.561 5.178 30 20 IKED CN(C[C@H]1CCCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C(=O)OC(C)(C)C 742886228 MOGSVUCOQPNUAH-OAQYLSRUSA-N 449.551 5.016 30 20 IKED C=CCSc1ccccc1NC(=O)COC(=O)c1ncoc1-c1ccccc1Cl 745404885 UNJTXMHGSRTHQB-UHFFFAOYSA-N 428.897 5.069 30 20 IKED CCN(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)[C@@H](C)c1cccc(C(F)(F)F)c1 746143676 FOPVDYZRLREJKL-HNAYVOBHSA-N 438.453 5.326 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc2c(c1)CCCN2C 748034897 VUBZCNPCZSVWJC-UHFFFAOYSA-N 448.979 5.351 30 20 IKED COc1ccc(CCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(OC)c1 754530015 AVWGPBJDMLNDSL-IBGZPJMESA-N 440.952 5.680 30 20 IKED O=C1CSc2sc(C(=O)/C=C\c3ccc(OC(F)F)c(Br)c3)cc2N1 758026586 SAEQHWCZADTCAA-IWQZZHSRSA-N 446.294 5.052 30 20 IKED C=C[C@H](CC(=O)OCc1csc(CC(=O)Nc2cc(C)ccc2C)n1)c1ccccc1 758908691 QKJJOJDJIDAUHR-LJQANCHMSA-N 434.561 5.344 30 20 IKED C=C[C@H](CC(=O)OCc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1)c1ccccc1 758920895 PXEBWUPKFURCGC-QGZVFWFLSA-N 440.952 5.884 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C/c2nc(Cl)cs2)C(=O)c2ccccc2)c(Cl)c1 759076847 STSLQPRCNYTPGJ-XNTDXEJSSA-N 431.344 5.972 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccc(SC(F)F)cc2)nnc1-c1ccco1 764417614 BXCWVPVMBCTEHI-UHFFFAOYSA-N 436.509 5.160 30 20 IKED CCn1c(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)nc2cc(C#N)ccc21 764512737 HZGZQRJFKDAXGJ-UHFFFAOYSA-N 429.094 5.189 30 20 IKED N#C[C@H](C(=O)CCc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1Cl 766840833 JPXBHFFFNSYENF-CQSZACIVSA-N 429.225 5.292 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)OCc3nc4cc(C(F)(F)F)ccc4o3)cc2)nc1 767347877 UYLFSEDGGYZFSK-UHFFFAOYSA-N 439.349 5.263 30 20 IKED C/C(=C\C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc([N+](=O)[O-])cc1 783920398 PVLHPNBWCKUYBL-FBMGVBCBSA-N 427.460 5.282 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2nc(-c3ccccc3F)cs2)cc1 785679635 WPGMANSRFAQGKA-OAQYLSRUSA-N 442.519 5.926 30 20 IKED Cc1c(C(=O)Nc2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)sc2ccc(C#N)cc12 794414672 QSEYYLSEUOWZGO-UHFFFAOYSA-N 448.548 5.022 30 20 IKED Cc1nc(-c2ccccc2)sc1C(=O)/C=C/c1ncc(I)s1 794707806 NFAMAPQHNYJWPO-BQYQJAHWSA-N 438.315 5.076 30 20 IKED COc1cc2c(cc1OC)C(=O)/C(=C/c1cccc(NC(=O)c3ccccc3Cl)c1)C2 794960589 FQYMYPKAUCFFSY-LICLKQGHSA-N 433.891 5.432 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)c1nc2ccccc2n1C(F)F 796653110 XSXYFLHKECKHJA-RRFJBIMHSA-N 435.352 5.310 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2-c2csc(C)n2)ccc1OC 797668233 NSMFWRPRVRQZSY-QGZVFWFLSA-N 436.537 5.130 30 20 IKED CC(C)(C(=O)[C@@H](C#N)c1nc2ccccc2o1)c1csc(-c2c(F)cccc2Cl)n1 810534727 ACJVOSKWMOFNHR-GFCCVEGCSA-N 439.899 5.898 30 20 IKED C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC(C)=C(Br)C1 812182605 PHFLRCBAYJYDJP-UHFFFAOYSA-N 449.418 5.034 30 20 IKED N#C[C@@H](C(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1cc(C(F)(F)F)ccn1 813212146 YDUNHMRUIOFWOL-IIBYNOLFSA-N 448.416 6.088 30 20 IKED N#C[C@H](C(=O)CCCCOc1ccc(Br)cc1)c1cc(C(F)(F)F)ccn1 813212845 GSVPBXFJTWBRAG-INIZCTEOSA-N 441.247 5.288 30 20 IKED CCOc1cc(/C=C/C(=O)c2cnc3sc(C(=O)OC)c(C)c3c2)ccc1OC(F)F 914773445 HXHYRFKPAMGYAO-FNORWQNLSA-N 447.459 5.288 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C4SCCCS4)cc3)n2)cc1 915101025 AQBBRFWHJUETLY-LJQANCHMSA-N 436.627 6.477 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cn3c(C(F)(F)F)nc4ccccc43)n2)cc1 915102277 UWMAJSRWDNZXQF-HNNXBMFYSA-N 440.450 5.364 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Br)cc1 915351428 BNLUYNXVGOGXES-OPAMFIHVSA-N 434.337 5.987 30 20 IKED O=C1/C(=C\c2ccsc2)CN(C(=O)c2ccccc2Cl)C/C1=C/c1ccsc1 915990332 MZJGDHGTZPXGDX-XFQWXJFMSA-N 425.962 5.655 30 20 IKED CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cccc(OC)c1 916205799 LWLQMUZJRWJGMI-LJQANCHMSA-N 445.972 5.027 30 20 IKED C[C@H](Sc1ccc(Cl)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916884486 YJFFXGXJWNUFPD-ZBEGNZNMSA-N 440.924 5.483 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)s2)o1 916886363 GGGJZZVDWMNTNP-AWEZNQCLSA-N 447.488 5.296 30 20 IKED CCOc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1OCC 916907307 XPVBLNGDCNRTFC-HXUWFJFHSA-N 444.487 5.237 30 20 IKED Cn1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc(Cl)c1Cl 916908099 LFEBJSOCEZKUBJ-CQSZACIVSA-N 428.275 5.085 30 20 IKED Cc1cc(Cl)ccc1O[C@H](C)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917045174 WKUVOYDXCLUWLL-RISCZKNCSA-N 438.858 5.921 30 20 IKED C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 918382005 NYYLXDXAVQACKZ-INIZCTEOSA-N 443.890 5.458 30 20 IKED CC(C)c1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c(O)n1 1136302546 NUQDOVWQEZORHG-UHFFFAOYSA-N 446.454 5.101 30 20 IKED C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc2nc(O)oc2c1 1666030904 WZPRHVXBZFBPJX-INIZCTEOSA-N 442.475 5.061 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)C4CCC(F)(F)CC4)cc3)CCC2)cc1 1786244701 IWVHIZBQRWORNA-UHFFFAOYSA-N 437.490 5.131 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cccc4cc(C)[nH]c34)cc2)CCC1)C(F)(F)F 1789019796 YHWHEMOOHZAPEO-UHFFFAOYSA-N 441.453 5.343 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)nn3C(F)F)cc2)CCC1 1790135381 CQORLHWYDAAIII-UHFFFAOYSA-N 444.526 5.327 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@@H](c3ccccc3)N(CC)CC)cc2)CCC1 1791125365 AEMIHSXMAFDUJD-AREMUKBSSA-N 445.607 5.007 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)Cc3c(F)cccc3Cl)C2)CC1 1805214655 SMCBXULWAMNBTH-LJQANCHMSA-N 446.994 5.021 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)n[nH]1 1818931462 PBXXIFMMMYDQOH-YIUJWAEMSA-N 426.605 5.221 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3nscc23)n[nH]1 1821519638 DLOPNQKYJDTGPU-HRAATJIYSA-N 449.580 5.094 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CSc2ccccc2)CC1 1823750339 HITUSKFGNGHUFM-QHCPKHFHSA-N 442.669 5.391 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccsc2)CC1 1824140980 COFOVSZTNGZCLB-QHCPKHFHSA-N 428.642 5.069 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccoc23)CC1 1830990562 QRAJCYIBCGUSKK-VWNXMTODSA-N 434.580 5.435 30 20 IKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)cccc2Cl)CC1)C(F)(F)F 1831453465 XXHLOYKHKBWKKP-SFHVURJKSA-N 442.909 5.000 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)cc2C)CC1 1832724899 DFUDCAZUVYDYBB-ISKFKSNPSA-N 426.576 5.136 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(C(C)C)cc2)c1 11264572 YYLJTVYLWYHUKA-UHFFFAOYSA-O 429.609 5.946 30 20 IKED Cc1cccc(OCc2nnc(S[C@@H](C)C(=O)/C=C3/N(C)c4ccccc4C3(C)C)o2)c1 22132306 PPONSVHTOBVRKG-NIZGNDASSA-N 449.576 5.318 30 20 IKED N#CCC[C@H](C#N)CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1 24089665 QFTLHJUIWVOOCU-OAHLLOKOSA-N 432.530 5.243 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2nnc(-c3ccccc3)o2)cc1Cl 60722070 BLUULDNNTSCZCH-OAQYLSRUSA-N 442.906 5.617 30 20 IKED Cc1cc(C)n(Cc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2)n1 61069809 UDELWASZHRUPFV-JOCHJYFZSA-N 437.528 5.034 30 20 IKED Cc1ccc(N(CCC#N)C(=O)CSc2ncc(C(F)(F)F)cc2Cl)cc1C 302914057 HVXYUUWMHSXYQL-UHFFFAOYSA-N 427.879 5.410 30 20 IKED Cc1ccc(-c2cc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c3c(C)noc3n2)cc1 303331924 JTWQBQBVCNEQFU-MRXNPFEDSA-N 442.544 6.153 30 20 IKED CCCCn1ncc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1C 435060986 WDLYCKIYGNKEMH-UHFFFAOYSA-N 447.486 5.182 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cccc(Oc3ccccn3)c2)cc1 437494507 MSWMORKBRCITEA-UHFFFAOYSA-N 425.419 5.929 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c2)c1 437887066 CYSKXJSQRLJTOG-JWQCQUIFSA-N 449.514 5.114 30 20 IKED Cc1cc(C)c(NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1Br 440224970 KLMFDOOTPIIZNW-CQSZACIVSA-N 446.370 5.037 30 20 IKED COCc1nc(CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c(-c2ccccc2)s1 441623676 OLPHXZGPUJNWCJ-UHFFFAOYSA-N 446.454 5.169 30 20 IKED Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 441772080 BWYBTVOAYUSGKA-HOCLYGCPSA-N 444.626 5.127 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1-c1nc([C@@H]2CCOC[C@@H]2C)no1 442680615 MIWSKTKZVFLVHI-KBXCAEBGSA-N 438.553 5.215 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(NC(=O)CC(C)C)c(C)c3)n2)cc1 442875846 OWRIBYUMBPTXSZ-HXUWFJFHSA-N 447.560 5.602 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)c1C#N 445566532 YQOKEVFLJOEZJX-LBPRGKRZSA-N 431.348 5.515 30 20 IKED C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 460815118 OHBURFGTWUJXBU-HNAYVOBHSA-N 439.387 5.227 30 20 IKED COc1ccccc1N1CC[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 465163959 IEAYVULJWJIVKJ-FQEVSTJZSA-N 442.519 5.068 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCCc3sccc32)cc1Cl 467876878 PIHRZBHJNDKRCK-TZIWHRDSSA-N 449.963 5.189 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H]1CCCN(c2ccccc2)C1 468819980 CLXBVKMPQJNUBY-HXUWFJFHSA-N 427.573 5.356 30 20 IKED CC(C)c1ccc(NC(=O)C[C@@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 469324397 QRPGEADLERIGIY-LJQANCHMSA-N 432.568 5.222 30 20 IKED N#CCc1ccc(C(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1 469755587 HRNHLGXTSJSPLG-GOSISDBHSA-N 442.359 5.004 30 20 IKED Cc1coc(-c2ccc(C)c(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)c2)n1 470139421 CBBRPYLLPBVZEY-UHFFFAOYSA-N 427.435 6.014 30 20 IKED CCC(CC)[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1 470561622 VWUTWFAKTWPGNU-RUZDIDTESA-N 432.568 5.569 30 20 IKED N#C[C@H](C(=O)c1cc(O)nc(C2CC2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 473483026 MUYBVSINSDQLEE-CQSZACIVSA-N 430.316 5.585 30 20 IKED C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 473631038 KDJJYLBANUCXCG-MYGHRHJXSA-N 433.533 5.313 30 20 IKED COc1cccc(C=C2CCN(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)CC2)c1 473761897 HPKNLVIWNKXVDU-UHFFFAOYSA-N 445.441 5.219 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 474516886 BTZNYXCNCSPPJT-XMMPIXPASA-N 432.955 5.564 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 475581933 LJFADRJWMVVSRR-GOSISDBHSA-N 429.511 5.540 30 20 IKED CC[C@H](C)Oc1cccc(NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 476145277 ITPDMDOWUSYZQN-KRWDZBQOSA-N 429.476 5.105 30 20 IKED COc1ccc(-c2ccc(NCc3cn(C)nc3-c3ccc(C#N)cc3)nc2)cc1Cl 479779557 RRZCBCFYBDIWJH-UHFFFAOYSA-N 429.911 5.295 30 20 IKED C=C(C)Cn1c(SCC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)nnc1-c1ccco1 480121940 RCKWBEMTXWQFIJ-GOSISDBHSA-N 442.972 5.223 30 20 IKED COCCC1(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCCCC1 480308612 RXLDHSLIZVETJT-UHFFFAOYSA-N 435.568 5.440 30 20 IKED C=C(C)[C@@H](NC(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1)c1ccc(F)c(F)c1 480694691 NDIWBFXJFZHYOZ-OAQYLSRUSA-N 440.450 5.318 30 20 IKED CC1(C)CN(C(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)CC[C@@H]1C(F)(F)F 482034229 VTLORQUIGUKUCT-AWEZNQCLSA-N 437.359 5.081 30 20 IKED C=CCN(C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1nc(-c2ccccc2)cs1 483770529 CUYRHEZCDPLCDD-UHFFFAOYSA-N 439.540 5.895 30 20 IKED CCOc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c(C(F)(F)F)c1 485146092 DXVVYXYFWCRVQR-UHFFFAOYSA-N 431.329 5.063 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cc(COC(C)(C)C)on1 486515605 QULVYRQABPILCE-UHFFFAOYSA-N 448.523 5.071 30 20 IKED CSc1cccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1[N+](=O)[O-] 486993388 BVBLJRGLVUENSG-LLVKDONJSA-N 431.445 5.208 30 20 IKED C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@@H](CCCC#N)c1ccccc1 487456655 VSDFECHWDBKZSA-JXFKEZNVSA-N 427.342 5.209 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)nnc1-c1ccccc1C 488925918 MYYXUDZJXUIMIP-INIZCTEOSA-N 442.535 5.029 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc4ccccc4c(=O)o3)cc2Cl)c1 497013013 BBDOMGVCJSSFDZ-UHFFFAOYSA-N 430.847 5.149 30 20 IKED Cc1ccccc1-c1ccc(CN(C(=O)CCc2c(C)nc(O)c(C#N)c2C)C(C)C)s1 498415275 PPAUPYYUPFLOHB-UHFFFAOYSA-N 447.604 5.682 30 20 IKED Cc1c(C(=O)N[C@H](C#N)c2ccc(Br)cc2)oc2ccc(Br)cc12 499395409 XVWMVMNBXWGRSD-OAHLLOKOSA-N 448.114 5.261 30 20 IKED N#C[C@H](NC(=O)c1sccc1Br)c1ccc(OCc2ccccc2)cc1 505327341 TXHJKQQHWUYROR-SFHVURJKSA-N 427.323 5.084 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2oc(Br)cc2C)cc1 505685947 IPZYXECVTQCYSE-UHFFFAOYSA-N 427.254 5.275 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)c3ccccc3n2)cc1 505704870 DKXQBUSJSBIPEW-JOCHJYFZSA-N 446.535 6.219 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)NCc2cc(Br)ccc2OC(F)F)cc1 506332241 QZCCYVNFTSQFJU-UHFFFAOYSA-N 438.272 5.173 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cn(C)nc2-c2cccs2)cc1 507285302 YHBRHPQDEOCPDW-UHFFFAOYSA-N 430.489 5.073 30 20 IKED C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 508716944 PRMBBDUNCAMRRN-INIZCTEOSA-N 442.498 5.277 30 20 IKED CCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)[C@H](C)c1ccc(C#N)cc1 509572598 BZHCGQOWQROJBY-OAHLLOKOSA-N 442.346 6.062 30 20 IKED Cc1cc(C(=O)Nc2sc(C)c(C)c2C#N)cc(C(=O)Nc2sc(C)c(C)c2C#N)c1 509822073 SHNFWRUAHGRZIC-UHFFFAOYSA-N 448.573 5.600 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3ccc(O)cc3)CC2)cc1Cl 510021952 BJAUNDVJUBIHSJ-HSZRJFAPSA-N 446.938 5.055 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1(c2cccc(Cl)c2)CCOCC1 512846305 YZXDPNLUXVABOI-UHFFFAOYSA-N 446.934 5.999 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cc1 512889473 NEHFARLGBQXGJW-MRXNPFEDSA-N 427.373 5.514 30 20 IKED Cn1c([C@H](C#N)C(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)nc2ccccc21 513655463 REAHNJXVKXGOTI-LJQANCHMSA-N 434.524 5.854 30 20 IKED N#C[C@H](C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1nc2ccccc2s1 513656099 XTUGXTTXKGRKDP-LJQANCHMSA-N 440.553 5.726 30 20 IKED COc1ccc2[nH]cc(CC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c2c1 516140607 IUVUFLYTORGXCD-UHFFFAOYSA-N 425.488 5.003 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)CC2)c(F)c1 517601101 RMJXGNAJIXMPAL-UHFFFAOYSA-N 426.797 5.053 30 20 IKED Cc1cc2nnc(SCC(=O)Nc3ccccc3S[C@H](C)CC#N)n2c2ccccc12 518128050 OHCUUYYXKOPQDW-MRXNPFEDSA-N 447.589 5.316 30 20 IKED C=CCN(C(=O)Nc1c(C(C)C)cccc1C(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 518752486 QBGWJWILRZTRMP-IBGZPJMESA-N 432.572 5.690 30 20 IKED CC(C)c1c(C(=O)Nc2ccccc2SC[C@H](C)C#N)cnn1-c1cccc(Cl)c1 519433247 ZTPKQVFPASCBGL-MRXNPFEDSA-N 438.984 6.153 30 20 IKED COc1cccc(CN(C[C@@H]2CCCO2)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 520939491 YZZOBFWPAHKQKK-RXVVDRJESA-N 439.581 5.303 30 20 IKED N#C[C@H](C(=O)c1ccc(OCC(F)(F)F)cc1)c1nc(-c2c(F)cccc2F)cs1 521260478 DWSRSWWRZZKZRU-CYBMUJFWSA-N 438.377 5.519 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cccc(CO[C@H]2CCC[C@H](C)C2)c1 521733677 ZCZQPURIZIDGJF-CVDCTZTESA-N 438.543 5.074 30 20 IKED CN(Cc1ccccc1NCCOc1ccc(C#N)cc1)C(=O)c1cc2ccccc2o1 522979548 ZREWPUQDZQIWAF-UHFFFAOYSA-N 425.488 5.068 30 20 IKED CC[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1nnc2n1CCCCC2 523974980 SNMRGTODBQLURS-FQEVSTJZSA-N 449.942 5.203 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccccc4Cl)n3)n2)cc1 524242894 MLEIGARGFCMDSP-MRXNPFEDSA-N 446.944 5.949 30 20 IKED N#CCCN(C(=O)CCC(=O)N1CCC[C@H]1c1cccc2ccccc12)c1ccccc1 524690230 KDTTWONTURFCRQ-VWLOTQADSA-N 425.532 5.230 30 20 IKED Cc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C2CC2)cc1 524750863 XLPGVWLUPXMTJE-DEOSSOPVSA-N 443.478 5.004 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)[C@@H](C)Oc2ccccc2C#N)nc1-c1ccccc1 525329845 FDIZICLSHVEVQY-WIYYLYMNSA-N 429.520 5.468 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 525567087 VNAUWOSOCYOXAZ-MRXNPFEDSA-N 434.565 5.829 30 20 IKED Cc1ccc(-c2csc3ncnc(SCc4nnc(-c5cccc(C#N)c5)o4)c23)cc1 525624368 VELWOXULPZTCAI-UHFFFAOYSA-N 441.541 5.881 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(OCC4CCCCC4)CC3)c2)cc1 525734855 HSRXYJZSZNGIRN-UHFFFAOYSA-N 433.552 5.944 30 20 IKED Cc1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1C(=O)N(C)C 534149194 MBAUWXMSKWLXEA-UHFFFAOYSA-N 433.895 5.267 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1)c1nnc2n1CCCCC2 536769103 RPYHQKSPAWPZAG-OAHLLOKOSA-N 446.454 5.122 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cc(C(C)(C)C)sc2C#N)nnc1-c1ccco1 540272238 CJVUANSKADPWKW-UHFFFAOYSA-N 441.582 5.076 30 20 IKED COc1cc(CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)ccc1OCc1ccccc1 541498509 YCUDLFWNGNBJLU-UHFFFAOYSA-N 441.531 5.020 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1ccccc1SC[C@H](C)C#N 542042974 HBKUYQBWVBHRHM-CYBMUJFWSA-N 445.466 6.173 30 20 IKED CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC 543857938 GSJSTUKOUPUZES-MRXNPFEDSA-N 445.475 5.032 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)CC1 548838700 HQBPSBBUBKTQMF-UHFFFAOYSA-N 441.497 5.386 30 20 IKED Cc1ccc([C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)c2cccc(S(C)(=O)=O)c2)cc1 552956484 AGAHYXKEDVXCNK-CLJLJLNGSA-N 430.573 5.027 30 20 IKED Cc1cc(C(=O)N2CCC(CC#N)CC2)ccc1N[C@H](C)c1cc(Cl)ccc1Cl 554636914 LJCQKGCNPZPKIU-MRXNPFEDSA-N 430.379 6.241 30 20 IKED CC(C)(CCC#N)CNC(=O)[C@H](Oc1ccc(Br)cc1F)c1ccccc1 554638930 GYRMOAJINVCHQV-LJQANCHMSA-N 433.321 5.154 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3cccc(OCc4cscn4)c3)cc2)ccn1 555079985 MQVUBKJXXMRCAQ-UHFFFAOYSA-N 428.473 5.033 30 20 IKED COc1ccc(-c2ccc(C)c(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c2)cn1 558846740 LMQPTZMPCIPWRL-ISKFKSNPSA-N 426.520 5.369 30 20 IKED C[C@@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 559054679 UUHZHSBSFKMJMZ-HTAPYJJXSA-N 440.934 5.756 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N(Cc3ccccn3)c3ccc(Cl)cc3)CC2)c(F)c1 561710692 OURTWCSSOGNLPX-UHFFFAOYSA-N 448.929 5.196 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 562168837 TYAYKFVICJSMIV-YJYMSZOUSA-N 432.471 5.845 30 20 IKED C[C@@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1ccc(OCc2cccnc2)cc1 576093162 BSMZMCWTLNUYNW-NLFFAJNJSA-N 428.536 5.456 30 20 IKED CCCCSc1nnc(S[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)s1 598769771 SMQWOZNOVSALEP-MRXNPFEDSA-N 434.656 5.475 30 20 IKED CSc1ccccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 603758371 VZOPOMHETHBHEB-UHFFFAOYSA-N 433.480 5.599 30 20 IKED CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2cccc(CC#N)c2)ccc1Cl 603989728 XTHIZILOJUQFHZ-UHFFFAOYSA-N 431.923 5.321 30 20 IKED C=CCc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)cc(OC)c1OC 603997198 CIQQTRFPOOLPFO-UHFFFAOYSA-N 439.493 5.025 30 20 IKED Cc1cccc(CN(Cc2ccco2)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1 604288635 KVQHOJXBSUGXKL-UHFFFAOYSA-N 438.487 5.881 30 20 IKED C=CC[C@@H](C)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C 604880757 NIWJRXFUROGCBS-CYBMUJFWSA-N 427.401 5.081 30 20 IKED C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 606175024 YKIHEWGNKOCTTR-RABLLNBGSA-N 449.357 5.910 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H](C)[C@H]2c2ccc(C)cc2)cc1 606558663 MBKZQKGTNSLDMB-BWKNWUBXSA-N 431.580 5.814 30 20 IKED COc1cc(C(=O)Nc2ccccc2SCCC#N)cc(OC)c1OCc1ccccc1 609375841 BGLOELCBBBSSKS-UHFFFAOYSA-N 448.544 5.541 30 20 IKED Cn1ccnc1Sc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 609498869 RCZNZOYYUXQKEW-UHFFFAOYSA-N 440.528 5.682 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)cc1 610126247 HPJKQARXDGXBGL-GHTZIAJQSA-N 436.939 5.929 30 20 IKED C[C@H](NC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cccc(C#N)c1 610317917 BOMYCEHGAQGTTK-ZDUSSCGKSA-N 430.455 5.507 30 20 IKED COc1ccc([C@H](NC(=O)N[C@H](C)c2cccc(C#N)c2)c2ccccc2Cl)c(OC)c1 610355650 WXYDMEPRTSHBFT-VOIUYBSRSA-N 449.938 5.379 30 20 IKED O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618556395 OBFPNCGVXHETPM-ZOBUZTSGSA-N 440.403 5.829 30 20 IKED C=CCN(C(=O)CSc1nncn1-c1ccc(C)cc1)c1nc(-c2ccccc2)cs1 637732420 PTPQSUFBQJOCKQ-UHFFFAOYSA-N 447.589 5.011 30 20 IKED C=CCN(C(=O)c1ccc(SCc2nc(C)no2)cc1)c1nc(-c2ccccc2)cs1 637734104 YFARATWZVSZAOM-UHFFFAOYSA-N 448.573 5.627 30 20 IKED N#C[C@@H](C(=O)c1cccc(Nc2ncccn2)c1)c1nc2cc(C(F)(F)F)ccc2s1 642282197 TXPPXFXOBUXDRR-HNNXBMFYSA-N 439.422 5.339 30 20 IKED Cn1cc(Oc2ccccc2C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cn1 670115917 KDKQLQCMAQPUPW-HNNXBMFYSA-N 442.422 5.331 30 20 IKED C=CCCC[C@@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl 678894557 FRUZTFIITCOHCW-HXOBKFHXSA-N 437.971 5.023 30 20 IKED N#C[C@@H](C(=O)Cc1c[nH]c2cc(Cl)ccc12)C(=O)Nc1ccc(SC(F)F)cc1 727953282 CVOOVCOYEOBOJQ-INIZCTEOSA-N 433.867 5.026 30 20 IKED N#CCCCOc1cccc(/C=C(/c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)c1 728158408 ZLIYXURKENXICO-MOHJPFBDSA-N 443.528 5.217 30 20 IKED Cc1cc(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)c(C)n1-c1ccc(C#N)cc1 728268501 NHEIUBQPESVNJS-UHFFFAOYSA-N 448.954 5.257 30 20 IKED N#C[C@H](C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1nc2cc(F)ccc2s1 730416135 AVUKCMCUEARADO-CYBMUJFWSA-N 444.900 5.107 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 730995770 SZZKLOUWRPSMPK-QMMMGPOBSA-N 435.163 6.199 30 20 IKED Cc1ccc(CC(=O)Nc2cccc([C@H](C)OC(=O)c3ccccc3SCC#N)c2)cc1 731301130 KETSUYKZCFSUSY-IBGZPJMESA-N 444.556 5.710 30 20 IKED CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)S/C1=N\[C@H](C)c1cccs1 731313461 ZIJLSZHZNOZGIF-INCMKVTQSA-N 445.610 5.034 30 20 IKED C#CCN(C(=S)Nc1cccc(CC)c1)[C@H]1CCOc2ccc(Br)cc21 733085325 CPSVLIPPHOMFAR-IBGZPJMESA-N 429.383 5.167 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)c1 733775124 QKQRZSDWAYSBGK-QHCPKHFHSA-N 448.950 5.459 30 20 IKED Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cccc(COc3cccc(C#N)c3)c2)c(C)c1 734593181 PTUJVRUMUGLUEN-HXUWFJFHSA-N 442.515 5.247 30 20 IKED C#CCOc1ccc(C(=O)Nc2c(C)cccc2-c2nc3ccc(F)cc3n2C(C)C)cc1 741969792 KYLPYPODFLUQTI-UHFFFAOYSA-N 441.506 5.996 30 20 IKED COc1ccc(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(Cl)c1Cl 742028718 CDIBNMNQZPOLOH-QGZVFWFLSA-N 447.343 5.458 30 20 IKED CSCC(=Nn1c(S)nnc1COc1c(Cl)cccc1Cl)c1ccccc1 749444051 MOXFJDKDUXIXHY-UHFFFAOYSA-N 439.393 5.068 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc(OCc3ccccn3)cc2)cc1 751600998 DBRKMYIJAXNISC-MHZLTWQESA-N 433.511 5.497 30 20 IKED C#CC[C@H](NC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1)c1ccccc1 757777667 HIJYHSMKMLBSAZ-QHCPKHFHSA-N 438.358 5.865 30 20 IKED CC(=O)N(c1nc(/C=C2\CCc3c(Cl)cccc3C2=O)cs1)c1ccc(F)cc1F 758041513 ZJLSYWQQULSVSF-UKTHLTGXSA-N 444.890 5.972 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](c2ccc(F)cc2F)C(C)(C)C)ccc1OC 758773829 HBKRKNRCOSZKED-JTSKRJEESA-N 445.510 5.241 30 20 IKED N#CCOc1cccc(CC(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)c1 762717505 NDZSCYNQWMWFGM-UHFFFAOYSA-N 433.213 5.018 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F 769944783 DLWBDIHOQRGULB-CNYBTUBUSA-N 436.817 5.032 30 20 IKED C[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)C(=O)c1ccc(Cl)cc1 777310546 UWVXUAUZYSXDJJ-LIRRHRJNSA-N 433.920 5.421 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)OC[C@@H]1CCCN(C(=O)c2ccccc2)C1 778315050 YRBAFXFRGSICDK-HXUWFJFHSA-N 440.499 5.060 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 780156558 CNMARBXCHFFMCA-HNNXBMFYSA-N 428.423 5.086 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 780164427 KPEZFTCFLBCTHP-GFCCVEGCSA-N 432.332 5.589 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(C#N)cc2F)cs1)c1ccc(F)cc1F 781107424 HNHFHGQVSNENIF-DAXSKMNVSA-N 427.407 5.013 30 20 IKED Cc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)s2)o1 781745975 KUIUNYSWYJADQU-CQSZACIVSA-N 440.546 5.364 30 20 IKED N#Cc1ccc(CNC(=O)[C@@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)nc1 782024992 CSFSJBFWVZXWRE-FQEVSTJZSA-N 428.344 5.410 30 20 IKED N#CCOc1ccc(CC(=O)N[C@H](c2ccccc2)c2cc(Cl)ccc2Cl)cc1 784641136 XFKKQDDBCOBOKK-HSZRJFAPSA-N 425.315 5.344 30 20 IKED C#CCN(C(=O)C(=O)Nc1c(Oc2ccc(Cl)cc2)ccc2ncccc12)C1CCCC1 785143909 LYYMVJXFCFINFJ-UHFFFAOYSA-N 447.922 5.023 30 20 IKED C=C(Br)CNC(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1 787211470 NAODLYLXHXKYGM-YBEGLDIGSA-N 443.366 5.260 30 20 IKED CN(Cc1ccc(Br)cc1Cl)C(=S)Nc1ccc(C#N)c(Cl)c1 790345508 NKRABXJLRLKHIS-UHFFFAOYSA-N 429.170 5.456 30 20 IKED CC(C)(CCC#N)COC(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 798879025 VMKXYVHUCCRVMD-UHFFFAOYSA-N 443.341 5.117 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2cc(Cl)c(C)cc2Br)cc1C#N 804489418 ZPAMTPQVIICPRC-UHFFFAOYSA-N 436.693 5.103 30 20 IKED COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3ccc(Br)nc3)c2)cc1 811697967 WNSZVVUJPLGPMI-WZUFQYTHSA-N 437.293 5.001 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)C34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)n2)cc1 877718813 URDHRACBZJLPBI-VKFLQFAXSA-N 442.382 5.354 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 914515020 GJVBGSLFQRTJDG-NXVVXOECSA-N 449.554 5.043 30 20 IKED COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3sccc3Br)c2)cc1 915112481 AMIYNNANIXSYEV-BJMVGYQFSA-N 442.334 5.668 30 20 IKED CCOc1ccc([C@@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915352481 LEDGRTPTWUBEPF-UIOOFZCWSA-N 425.532 6.110 30 20 IKED COc1ccc(-c2csc3ncnc(NN=Cc4c(C(C)C)nn(C)c4Cl)c23)cc1 915952905 YJSRVZCAPDQJRT-UHFFFAOYSA-N 440.960 5.323 30 20 IKED Clc1ccc(CSc2nncn2N=C/C(Br)=C/c2ccccc2)cc1 916546542 XIPGHJNVNWNDLS-VRJBRYIJSA-N 433.762 5.494 30 20 IKED N#C[C@@H](C(=O)CCSc1nc2ccccc2s1)C(=O)Nc1cccc2ccccc12 916916912 BUWMNKBUDZLJEZ-KRWDZBQOSA-N 431.542 5.279 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3ccc(OC)cc3)nc2C)cc1 916953516 CUJOWVFZCPKNRI-BTYIYWSLSA-N 447.560 5.602 30 20 IKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=S)Nc1ccccc1Oc1ccccc1 917578741 XNQVEKFKDBRZCD-UHFFFAOYSA-N 430.577 5.111 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2[nH]c3ccccc3c2Br)cc1 918126885 HCPGFMKXJXAMLQ-LJQANCHMSA-N 430.305 5.838 30 20 IKED C[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 918417810 WAVNIVYGHITMES-HTAPYJJXSA-N 431.923 5.154 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)COc1ccc2c(C)cc(=O)oc2c1 919893553 GMUYJJSVZJKGPY-UHFFFAOYSA-N 440.455 5.091 30 20 IKED CC(C)N(CC(=O)[C@@H](C#N)c1nc2ccccc2s1)Cc1ccc(Br)cc1 920089817 UIEWNKYMAHEVBS-QGZVFWFLSA-N 442.382 5.146 30 20 IKED Cc1cccc(OCCCCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 920805066 DZCNJPHEGCFLIO-QGZVFWFLSA-N 426.488 5.822 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(-c5ccccc5)nc4)CCC3)cc2)C1 1785808471 DDNPCGFATLCOHP-UHFFFAOYSA-N 437.543 5.463 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc(OCC)c3O)cc2)CCC1 1790771457 NKJWTPGIWXUHDN-NRFANRHFSA-N 448.563 5.307 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CCC(=O)c3ccc(OC)cc3)CCC2)cc1 1791247361 QSBBHEQOPKXVBR-IBGZPJMESA-N 448.563 5.004 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3csc4c3CCCO4)CCC2)cc1 1791727379 JBBSUILDUSWYGY-UHFFFAOYSA-N 436.577 5.014 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(F)c2Cl)[nH]n1 1814828862 VPWAMAIXJCBLDH-IBGZPJMESA-N 444.938 5.277 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2C(C)(C)C)n[nH]1 1817709871 HMECXHRIPFUIMX-WIYYLYMNSA-N 449.599 5.177 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc(F)c2F)CC1 1824146193 UYDWMFZIFFZBEY-JOCHJYFZSA-N 448.529 5.106 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C)c2F)CC1 1828825730 YIUJJXBVFHAXJB-GMAHTHKFSA-N 426.576 5.136 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3[nH]ccc3s2)CC1 1829066875 YOUTVNQAEQGVLH-HXUWFJFHSA-N 441.641 5.455 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C(C)=C/c2ccc(C)o2)CC1 1829069028 FXUUTQAFAGDGLS-BKWQBPKISA-N 440.628 5.603 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)ccc2F)CC1 1832593557 SXMLIPJDIGTWLJ-QHCPKHFHSA-N 444.591 5.060 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 23885398 JISHIFGITZIEMK-UHFFFAOYSA-N 443.576 5.185 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)nnc1-c1ccc(F)cc1 24014760 QDPGTFXIYMUNPB-GJZGRUSLSA-N 444.963 5.282 30 20 IKED C=CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1OC 25990570 HUQXYZMXGPIJFG-SFHVURJKSA-N 431.488 5.111 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C(=O)Nc1cccc(C(C)=O)c1)C(C)C 32785519 VQKMBEDLSHMUBK-QHCPKHFHSA-N 448.592 5.013 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)/C=C\c1ccc(Cl)cc1 213565147 ZBYQKHDPMCWAIP-BENRWUELSA-N 425.897 5.120 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)c1 255506091 TZYHSYATRWTQAM-NRFANRHFSA-N 433.533 5.057 30 20 IKED C[C@]1(c2ccccc2)CCCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 303539332 FYKZTKXMYKBQBH-MHZLTWQESA-N 438.531 5.396 30 20 IKED N#Cc1cc(NC(=O)c2occc2CN2C(=O)Cc3ccccc32)ccc1Oc1ccccc1 428004785 IDPSRWORWVTJMG-UHFFFAOYSA-N 449.466 5.285 30 20 IKED C[C@@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)C(c1ccccc1)c1ccccc1 428203429 XHQMRDZNUOPZCF-OAQYLSRUSA-N 434.543 5.414 30 20 IKED CC1(C)CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)[C@@H]1c1ccncc1 432678056 FTEVATIMYLEVAE-FYYLOGMGSA-N 430.939 6.005 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@@H]2CCOC3(CCSCC3)C2)c1 434332353 HZJBMWRABAULGL-LJQANCHMSA-N 442.968 5.179 30 20 IKED N#CCCn1cc(CN2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c(-c2ccncc2)n1 435132171 VLVSGGWRMZOVID-OAQYLSRUSA-N 426.351 5.503 30 20 IKED N#Cc1ccc(NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)c(Br)c1 444883267 ZGRCODNBQJOJBS-UHFFFAOYSA-N 437.341 5.052 30 20 IKED CSc1nnc(-c2noc(-c3ccc(Oc4ccccc4C#N)c(Cl)c3)n2)s1 445607150 FAPUGEKIPRLTKC-UHFFFAOYSA-N 427.898 5.294 30 20 IKED CC(C)c1cccc(NC(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 446513864 IBIGIJXHFNMVDM-UHFFFAOYSA-N 427.504 5.032 30 20 IKED Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 446868951 VEYISNBFBLFJJP-GFCCVEGCSA-N 436.318 5.515 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 460791241 GQLSTHRUQGOPQZ-LJQANCHMSA-N 434.506 5.130 30 20 IKED CCCOc1ccc(-c2nc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)cs2)cc1 464469200 RJQQRHJUDNIXHR-INIZCTEOSA-N 431.439 5.503 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nc(C(C)(C)C)no1 466446687 RMZQGHIJWQGATG-KSSFIOAISA-N 437.931 5.559 30 20 IKED Cc1nc(-c2ccccc2)oc1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 467289057 BBIRYCACMNKBLV-UHFFFAOYSA-N 425.463 5.503 30 20 IKED Cc1nc2cc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)ccc2n1Cc1ccsc1 472492000 BFJDLZYYZUKCAI-KRWDZBQOSA-N 440.450 5.358 30 20 IKED CN(C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1ccc2cc[nH]c2c1 473569117 MYQXUDNZKVEADJ-UHFFFAOYSA-N 440.528 5.047 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 474506631 AVPMBUXAECVNCY-GMKZXUHWSA-N 430.939 5.306 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 475583079 VPQDMNKKDGCNNI-LADGPHEKSA-N 442.003 5.385 30 20 IKED N#CCCCn1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)c2ccccc21 478002083 LCUVGVHGNIPUOR-GDBMZVCRSA-N 428.355 5.055 30 20 IKED C=C(C)Cn1c(SCC(=O)N(Cc2ccccc2)Cc2ccco2)nnc1-c1ccco1 480112289 VAVRYEKYWYVAEG-UHFFFAOYSA-N 448.548 5.028 30 20 IKED CC(C)(C)OC(=O)c1ccc(NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c(F)c1 480816865 GXCKBCKBHMYNRR-UHFFFAOYSA-N 444.347 5.130 30 20 IKED CCCOc1ccc(Oc2ncccc2CNC(=O)NC2(c3cccc(C#N)c3)CC2)cc1 481140356 KKNZGJLWCUFSMB-UHFFFAOYSA-N 442.519 5.023 30 20 IKED N#Cc1ccc(OC2CCN([C@@H](c3ccccc3)c3nc(-c4ccccc4)no3)CC2)cc1 481768129 PRFJWQPZVMFZDP-VWLOTQADSA-N 436.515 5.241 30 20 IKED C=CCN(C(=O)[C@H](C)c1c(F)cccc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 484746689 IXYDNNPBIOYSRX-CYBMUJFWSA-N 429.448 5.319 30 20 IKED COc1ccc([C@H](NC(=O)NCc2cccc(C#N)c2)c2ccc(C(F)(F)F)cc2)cc1 486214839 LANHMUSKGZVWOK-JOCHJYFZSA-N 439.437 5.174 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1Cl 487061457 NZWPDTJILZTANI-XLIONFOSSA-N 447.897 5.126 30 20 IKED CN(CC1CCN(c2ccncc2)CC1)C(=O)c1ccccc1Sc1ccccc1C#N 499466178 ZAXRYJQFJLKUHZ-UHFFFAOYSA-N 442.588 5.093 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 501618014 VAWJGMZVWPKTKQ-UHFFFAOYSA-N 428.989 5.209 30 20 IKED COCCOc1cccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 502230034 HAFNZWAUCJVJGA-QFIPXVFZSA-N 435.911 5.665 30 20 IKED CC(=O)Nc1cc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)ccc1C 502617604 QHBBDYXDUUWPHF-UHFFFAOYSA-N 434.883 5.915 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3C[C@H]3c3cccc4ccccc34)s2)cc1 503073114 LZHKGPXKAFQSSR-LEWJYISDSA-N 442.569 5.597 30 20 IKED C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 508945040 IHIURRCKKWAEOE-CQSZACIVSA-N 437.491 5.200 30 20 IKED CC(C)(C)n1ncc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1C(F)(F)F 509672183 ILFAWQXICUREKP-UHFFFAOYSA-N 428.414 5.573 30 20 IKED CCOc1ccc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 510007768 XCDUCCQNXFNLJI-HSZRJFAPSA-N 433.939 6.058 30 20 IKED C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1ccccc1Br 510202767 BYSFXSALDXNZQP-AWEZNQCLSA-N 438.350 5.502 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 510231145 WKTQAZCJDMHZDE-MWTRTKDXSA-N 425.488 5.506 30 20 IKED CCc1ccc([C@@H](N[C@@H](C)c2ccc(C#N)cc2F)c2cccc(S(C)(=O)=O)c2)cc1 512628397 DZBOPOGRFSTAJI-SSOJOUAXSA-N 436.552 5.103 30 20 IKED Cn1ccnc1Sc1ccccc1NC(=O)c1cccc(COc2ccccc2C#N)c1 513271753 FRLSGFYRPVATLD-UHFFFAOYSA-N 440.528 5.274 30 20 IKED C=CCN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1nc2c(s1)CCCC2 514596564 AJUMYNYNZVHYKJ-UHFFFAOYSA-N 448.548 5.375 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(NC(=O)c2ccc(C)cc2)c1 515777662 HITILVPIJNHMGT-UHFFFAOYSA-N 440.547 5.241 30 20 IKED CCOc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 515827424 ZTWCFWRXHZWMJY-UHFFFAOYSA-N 429.476 5.054 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 517336065 XOWMGEGQLSPJOC-UHFFFAOYSA-N 431.423 5.226 30 20 IKED Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 519087557 CGZGPVMUZDLFSC-JOCHJYFZSA-N 443.503 5.020 30 20 IKED N#C[C@@H](NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1cccc(C(F)(F)F)c1 521887411 RFUDMKYKAUFKLV-MRXNPFEDSA-N 444.434 5.200 30 20 IKED COc1cccc(NC2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)c1 523014315 LUEQRHSZLWGVRS-UHFFFAOYSA-N 442.519 5.468 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Nc4ccc(C)nn4)c3)n2)cc1 523047781 USBINECBFAXEEZ-FQEVSTJZSA-N 425.517 5.451 30 20 IKED CCc1nc(COc2ccc(C(=O)Nc3sc4c(c3C#N)CCCCCC4)cc2)no1 524500997 HZBYUFNMCFFREI-UHFFFAOYSA-N 436.537 5.055 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)N[C@H](Cc3ccccc3)c3cccs3)CC2)cc1 526982967 YSYYYIWZSVEZIU-HSZRJFAPSA-N 431.561 5.157 30 20 IKED CCN(C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C)c1ccc(C#N)c(Cl)c1 535876675 UYCYJEKXEVELBA-UHFFFAOYSA-N 435.959 5.564 30 20 IKED N#CCCn1cc(CNc2cccc(C[S@@](=O)C3CCCCC3)c2)c(-c2ccccc2)n1 538832011 LKOGNUXGPXRGRW-JGCGQSQUSA-N 446.620 5.657 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nn1[C@@H](C)C1CC1 539679258 IMYNQRKQHOPNPD-LRDDRELGSA-N 445.375 6.083 30 20 IKED CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 541072743 XJCJAXPHCSDDND-QZTJIDSGSA-N 443.572 5.542 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)C2CC2)cc1 541441392 HFLAWDQFKKLIBT-UHFFFAOYSA-N 445.910 5.055 30 20 IKED COc1cccc2c1CCN(C(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)C2 542945492 ROBMVSJUDZLCBJ-JOCHJYFZSA-N 431.923 5.594 30 20 IKED COc1ccc(C(=O)c2ccccc2C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1 543058332 SEGVDLCQQSOSIR-LJQANCHMSA-N 445.425 5.161 30 20 IKED N#Cc1cc(C(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)ccc1Cl 543456194 AZGXUEXFJZSTLK-UHFFFAOYSA-N 429.829 5.468 30 20 IKED O=C(Cc1ccncc1)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 544027977 WXQSLARWZUAHDT-AWEZNQCLSA-N 430.270 5.082 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1C 558377811 ZHOKEIVWMPGVJJ-UHFFFAOYSA-N 432.568 5.962 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 564718172 CQBSQMAKMUYHME-UHFFFAOYSA-N 441.457 5.453 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccnc(Oc2ccc(F)cc2F)c1 566048899 GJABUUIODPTJCT-AWEZNQCLSA-N 425.460 5.799 30 20 IKED C[C@@H](Cc1cccc(O)c1)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 571068892 RIIVVASSFJYYIC-INIZCTEOSA-N 435.911 5.249 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@H](c3cccc(F)c3F)C(F)(F)F)cc2)ccn1 575098478 LEHKJLGHTWSGAS-LJQANCHMSA-N 448.351 5.449 30 20 IKED N#Cc1cccc(COc2cccc(CNC3(Cc4cccc(F)c4)CCOCC3)c2)c1 576891199 OJLCBGYQWRZELO-UHFFFAOYSA-N 430.523 5.158 30 20 IKED C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N(C)Cc1ccccc1OCC 583947664 YXSWTXJQWRPIKZ-LADGPHEKSA-N 432.568 5.135 30 20 IKED Cc1c(C(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)sc2ccc(C#N)cc12 590219147 LKIRSIKWBURLFB-UHFFFAOYSA-N 428.517 5.151 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H](c2ncccc2C)C(C)C)cc1OCC 604417334 YLPBDMFAUGVITG-HXUWFJFHSA-N 433.390 5.603 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c2)c1 604690846 ICPSWLPKCIYWNN-FQEVSTJZSA-N 443.915 5.890 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 609060772 DPFXBYRYCSSPAV-OSPHWJPCSA-N 439.515 5.293 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(O[C@H](C)c2ccccc2)cc1C 609067389 XYEVWFXUUZKKIN-HXUWFJFHSA-N 444.531 5.813 30 20 IKED CCC(=O)N[C@@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 609164424 NUXPPKOJXPQNEC-ZJSXRUAMSA-N 431.923 5.201 30 20 IKED C[C@@H](c1ccccc1)n1cnnc1SCC(=O)Nc1ccccc1S[C@H](C)CC#N 609371502 LYCMELSMIGSQFN-SJORKVTESA-N 437.594 5.012 30 20 IKED CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C(C)C)cc1 609436308 YTLCQGLFDWLPJL-WZONZLPQSA-N 437.609 5.656 30 20 IKED COc1ccc(Br)c(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)c1 609439006 RQTLDAURYKMRII-CYBMUJFWSA-N 434.359 5.174 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3cccc(NC(=O)c4ccoc4)c3)c2)cc1 609643629 RCCLFCSRXVBYHM-UHFFFAOYSA-N 437.455 5.235 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](CO)c2c(F)cccc2F)cc1Cl 609682361 NWVMZMQAYWTLND-DYESRHJHSA-N 441.865 5.129 30 20 IKED Cc1ccc(C[C@@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c2ccccn2)cc1 609686775 DASWGAUMEGUDLA-RUZDIDTESA-N 449.514 5.555 30 20 IKED COc1cc(C[S@](=O)Cc2cccc(Cl)c2)ccc1OCc1cccc(C#N)c1 609742966 FQTAHMQAWOGDQL-GDLZYMKVSA-N 425.937 5.248 30 20 IKED C[C@H]1C[C@H](N(C)C(=O)Nc2ccccc2S[C@H](C)CC#N)CCN1Cc1ccccc1 610019271 KEULHLXLVOXLQJ-TUNNFDKTSA-N 436.625 5.598 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Nc3ccc(NC[C@@H]4CCCO4)c(F)c3)cn2)cc1 610094335 XQDWPBBWJFTAGE-FQEVSTJZSA-N 447.470 5.120 30 20 IKED COc1ccc2c(c1)OCC[C@H]2NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 610323335 WHDOPXVIJOTDOH-OAQYLSRUSA-N 445.475 5.013 30 20 IKED N#C[C@@H](C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1ccc2ccccc2n1 613292508 MTWMNHQIYYMDRR-JOCHJYFZSA-N 434.524 5.665 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@H](C#N)c1ccc2ccccc2n1 613292840 YWYAEIJOKOWXHK-QGZVFWFLSA-N 437.446 6.176 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)c(Cl)c1 619451054 OFSXYOJVTDHOML-UHFFFAOYSA-N 442.249 6.260 30 20 IKED N#C[C@@H](C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 674046087 ZSIBJPDCHAEEDH-INIZCTEOSA-N 439.418 5.364 30 20 IKED O=C(Nc1cccc(C#Cc2ccccc2)c1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674554153 PSHACALOEQENJR-ROUUACIJSA-N 426.360 5.291 30 20 IKED O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674560589 JRNGWJOOWCYYHD-OCAPTIKFSA-N 435.246 5.051 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cccc(CN2CCCC2=O)c1)c1ccc(C(F)(F)F)cc1 676746588 IVCDQJVIAOIDOQ-OAQYLSRUSA-N 445.485 5.657 30 20 IKED O=C(N1CC2(C1)CC(F)(F)C2)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 677926795 ILQGJYVZXMGGAA-ZYJSHVEQSA-N 445.394 5.366 30 20 IKED O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)N[C@H]1C[C@@H]1c1ccccc1OC(F)F 684775994 PSBJEVNMEXJNRS-KGLIPLIRSA-N 436.327 5.620 30 20 IKED FC(F)(F)c1nnc(S)n1N=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 727058996 GTJSHQDMEPFQTC-UHFFFAOYSA-N 447.269 5.354 30 20 IKED C#Cc1cccc(N(CC)C(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1 728481238 RFLPTPKSGPAICH-DEOSSOPVSA-N 430.935 5.236 30 20 IKED O=C(C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(C2CCC2)C1=O)Nc1ccccc1F 730458611 AXCOGXMDZGTRDK-GOSISDBHSA-N 449.910 5.131 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H](C)Sc1ccccc1Cl 731074216 LOAKJTVWYJLJTA-LSDHHAIUSA-N 448.997 5.397 30 20 IKED CC(C)Cn1cc(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccccc21 731075212 XJYSTASEYVYZFA-SFHVURJKSA-N 449.576 5.345 30 20 IKED N#C[C@H](NC(=O)c1csc(COc2ccc(F)cc2)n1)c1cccc(Cl)c1Cl 731195789 OUXKQOBTCCCPRO-HNNXBMFYSA-N 436.295 5.163 30 20 IKED CCN1C/C(=C/c2coc(-c3ccccc3)n2)C(=O)/C(=C/c2coc(-c3ccccc3)n2)C1 731835907 VINCYEYDHKNWPC-VOKWCDJLSA-N 437.499 5.368 30 20 IKED Cc1ccc(-c2cc(C(=O)OCc3ccc(OCC#N)cc3)c3cnn(C(C)C)c3n2)cc1 733407227 USYPURRKIWYKHZ-UHFFFAOYSA-N 440.503 5.247 30 20 IKED C#CCN(C(=O)Nc1ccc(C)c(OC)c1C)[C@H]1CCOc2ccc(Br)cc21 733620425 VHAKDMDRYFRWCD-IBGZPJMESA-N 443.341 5.065 30 20 IKED C[C@@H](Oc1ccc(F)cc1Cl)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 733679660 LBQCLYWOPKFQTA-IAQYHMDHSA-N 435.307 5.900 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c1 733772720 FYZXMOGTKWPYDY-HNNXBMFYSA-N 444.318 5.568 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(OCc3cccc(F)c3)cc2)c1 733847259 YRENYHPGJGYOQS-HSZRJFAPSA-N 447.510 5.085 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc2c(c1)Cc1ccccc1-2)[n+]1cccc(O)c1Cl 735668029 VXXOGMUBNLHJBJ-UHFFFAOYSA-O 449.983 5.281 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)cc1 741431876 UNGOJYIACAVBIA-SLFFLAALSA-N 444.453 5.379 30 20 IKED Cc1c(C(=O)/C=C\c2ccc(-n3ccc(C(F)(F)F)n3)cc2)cnn1-c1ccc(C#N)cc1 741845465 WYITTWOKLCXZFQ-WDZFZDKYSA-N 447.420 5.153 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C(/C)c3ccccc3C(F)(F)F)n2)cc1 744060972 DEHBLMDKQYHWMS-DEQJRXDXSA-N 442.462 6.117 30 20 IKED Cc1cc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)c(C)n1-c1nccs1 744727702 FYQUAMYTSMFHJE-UHFFFAOYSA-N 449.392 5.287 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)OCc2nnc(-c3cccc(F)c3)o2)cc1 744973503 BOYQKPMYGBMBSV-UHFFFAOYSA-N 433.370 5.036 30 20 IKED COc1ccc(-c2cnc(CCC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)o2)cc1 746363965 BYCJTOCNQCNZTF-XMMPIXPASA-N 437.499 5.577 30 20 IKED CC[C@@H]1CN(C(=O)NCc2ccc(OC)c(O[C@@H](C#N)CC)c2)CC[C@@H]1c1ccccc1 746418712 XAYWKGBWASWUJR-MZYLBHOOSA-N 435.568 5.101 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 746660770 VAORTIUZHQVEEL-UZUQRXQVSA-N 437.465 6.586 30 20 IKED C#CCN1CCC(C(=O)N(CCC)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1 747624324 WONBYSPMJFRKFU-UHFFFAOYSA-N 436.408 5.205 30 20 IKED CCCOc1c(Cl)cc(C=NO[C@@H](C)c2nnc(-c3ccccc3)o2)cc1OCC 748097700 OYALKHATTJATPE-HNNXBMFYSA-N 429.904 5.689 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C/c2ccc(Cl)nc2)C(=O)c2ccccc2)c(Cl)c1 748999217 PURAMGYBOUWIIN-LDADJPATSA-N 425.315 5.910 30 20 IKED COc1cc(/C=C/C(=O)c2c(C)nn(-c3ccccc3)c2C)ccc1OCC(F)(F)F 750912974 JERDNRLZHQBPRR-PKNBQFBNSA-N 430.426 5.335 30 20 IKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)o2)cc1 762385178 QBRBXIIDHFTENA-SANMLTNESA-N 449.510 5.402 30 20 IKED C=CCn1c(-c2ccccc2C)nn(CN2C[C@H](C)O[C@H](c3ccsc3)C2)c1=S 765083630 SADSCRVOGAUXSL-PXNSSMCTSA-N 426.611 5.057 30 20 IKED COc1ccccc1N1C(=O)/C(=C\c2cn(CCC#N)c3ccccc23)c2ccccc2C1=O 767922560 QEEBYBLRZAAJCM-QJOMJCCJSA-N 447.494 5.291 30 20 IKED COc1cccc([C@@H](C#N)NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)c1OC 768151010 CJGXKBXYVGREIS-OAQYLSRUSA-N 439.471 5.020 30 20 IKED N#C[C@H](NC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1cccc(C(F)(F)F)c1 768175721 UQZHGOACKQCHBW-QFIPXVFZSA-N 432.405 5.310 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)NCc2ccc(OC)c(O[C@@H](C#N)CC)c2)c1 772175949 SDQRJNHSTYNUCU-JOCHJYFZSA-N 444.531 5.372 30 20 IKED COc1cc([C@H](C)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)ccc1SC(F)F 777112670 GACNQBXATVWLLA-AWEZNQCLSA-N 433.524 5.016 30 20 IKED CC(C)c1ccc(N2Cc3ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc3C2)cc1 780032948 UQRWLLNLVINRFA-HHHXNRCGSA-N 447.579 5.530 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(C(F)(F)F)cc3)n2)cc1 783072783 VHAFRFBSFOIONN-ACJLOTCBSA-N 446.450 5.481 30 20 IKED C#CCn1ccc(CN(CC)C(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)n1 791903674 CUMNJWLUPKZACH-UHFFFAOYSA-N 444.322 5.064 30 20 IKED Cc1nc(SC(F)F)sc1CC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 793060284 XNHPZPBCIGWUGX-UHFFFAOYSA-N 445.516 5.398 30 20 IKED COc1cc2c(cc1NC(=O)C1CCN(c3ccc(C#N)cc3F)CC1)oc1ccccc12 794844157 HLLVQURLNRVSAV-UHFFFAOYSA-N 443.478 5.460 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)CSCc2ccc(Br)cc2F)s1 797567109 YSLQDWDRFYMFEC-CYBMUJFWSA-N 441.391 5.452 30 20 IKED N#C[C@H]1CC[C@@H](COC(=O)Cc2csc(-c3cc(Br)cs3)n2)CC1 809091595 XWVIEKSNFWVPQZ-TXEJJXNPSA-N 425.373 5.050 30 20 IKED COc1ccc(/C=C(\Cl)c2nc3ccc(Br)cc3o2)cc1OCCCC#N 812248874 SYCJNWUVCDADOW-GDNBJRDFSA-N 447.716 6.018 30 20 IKED CC(C)(C(=O)Nc1ccc(F)cc1OCC#N)c1csc(-c2c(F)cccc2Cl)n1 813058779 MIPYTLYJUKCURG-UHFFFAOYSA-N 447.894 5.560 30 20 IKED Cc1nc(-c2ccccc2F)sc1[C@H](C)OC(=O)c1cnc(C(F)(F)F)c(C#N)c1 815952871 XLDXPKKCDKVQHC-NSHDSACASA-N 435.402 5.461 30 20 IKED CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1OC 838487426 YMEYZGIVKYBAQX-LJQANCHMSA-N 445.972 5.027 30 20 IKED Cc1csc([C@H](C#N)C(=O)COC(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)n1 900058798 FNEFDSYNOVSBCX-MNDMWVCDSA-N 442.949 5.266 30 20 IKED N#Cc1cccc(OCc2cccc(-c3nc(-c4ccc(Br)cn4)no3)c2)c1 904847015 BICIQOBFEMSQQI-UHFFFAOYSA-N 433.265 5.012 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(C2SCCS2)cc1 915055416 MJMUUDFCZNUICS-UHFFFAOYSA-N 433.558 5.785 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cn2c(SC(F)F)nc3ccccc32)cc1 915199816 MUPVRGFQIQRKSC-LJQANCHMSA-N 448.498 5.645 30 20 IKED CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915353664 PZQOGZXWIUZKEZ-QFIPXVFZSA-N 439.437 5.905 30 20 IKED CC(=NNc1ncnc2sc(-c3ccccc3)cc12)c1ccc(N2CCOCC2)cc1 916312382 VOFOJABTUAJFJH-UHFFFAOYSA-N 429.549 5.031 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3)cc12 916900019 ZPQAWTDNVLLLDZ-IBGZPJMESA-N 448.935 5.069 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc2c(c1)Cc1ccccc1-2)[n+]1ccccc1CC 917609432 GNZHYLSRECPOFC-UHFFFAOYSA-O 427.593 5.485 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3nc(-c4ccccc4)oc3C)n2)cc1 920142031 JPPISAJURUUEIA-IBGZPJMESA-N 429.501 5.201 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccoc4c3)CCC2)cc1 1786102886 BLKLOTNMXZDHCV-UHFFFAOYSA-N 429.520 5.344 30 20 IKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccccc4)c(F)c3)CCC2)cc1 1787647577 QHFZYYGUYIECCL-UHFFFAOYSA-N 427.479 5.154 30 20 IKED C[C@@]1(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)CC1(F)F 1790084201 ZPEZYSLOMNDNNC-NRFANRHFSA-N 443.881 5.005 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(F)cc3C(F)(F)F)cc2)CCC1 1792171506 QRZUJBSPKXGJPW-UHFFFAOYSA-N 432.417 5.006 30 20 IKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)C1 1823675848 LBJNSXSTVFDEEJ-HSZRJFAPSA-N 439.987 5.021 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 1828832119 ZNGKLONUYBTWJT-VEYUFSJPSA-N 434.624 5.178 30 20 IKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)cc2C)CC1)C(F)(F)F 1831448615 IMJVZIDOTPUART-IBGZPJMESA-N 442.909 5.000 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1 1831479799 FXARMJBGAOXHTO-ONTLXTELSA-N 428.661 5.425 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccccc3F)n2C2CC2)cc1 21875498 WLOLJWKBEYWJMM-QGZVFWFLSA-N 449.555 5.155 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)nnc1-c1ccc(OC)cc1 22213430 UPAMNYMTMRBPOQ-CYBMUJFWSA-N 446.935 5.052 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC(c3nc4ccccc4s3)CC2)cc1 26370356 UNRFHPWSZDQBMI-LJQANCHMSA-N 432.593 5.120 30 20 IKED C=CCn1c(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)nnc1-c1ccco1 29547962 FMUGLIUXMLDEQM-QHCPKHFHSA-N 440.528 5.922 30 20 IKED C=CCn1c(S[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)nnc1-c1ccco1 29548579 UBTUCGLSFRFYQO-GOSISDBHSA-N 444.560 5.111 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)cc(OC)c1OC 31469511 AKGCCRHFNBTSPV-UHFFFAOYSA-N 438.911 5.312 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2ccc(OC(F)F)cc2)c1 33617354 BCRJVWHHZXVHFF-UHFFFAOYSA-O 447.914 5.588 30 20 IKED C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1sc(-c2ccccc2)cc1C#N 64807073 IHYQDNOQAOBQRJ-GFCCVEGCSA-N 427.869 5.254 30 20 IKED CC[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1nc(C(F)(F)F)cs1 236970616 AXQLPTMDUWSICE-IBGZPJMESA-N 431.483 5.853 30 20 IKED COc1ccc(CN[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)cc1OCCCC#N 237297553 GKAOBBIESMMRNW-SFHVURJKSA-N 435.593 5.969 30 20 IKED CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)cs1 302906846 CRYSFESTPJUGGC-CMDGGOBGSA-N 427.507 5.049 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 303244596 AEUDUYGIZWOKIQ-ZDUSSCGKSA-N 431.348 5.683 30 20 IKED C=CCc1cc(C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)cc(OC)c1OC 303651181 KNFQLFHFWNTLDJ-HKBQPEDESA-N 441.593 5.266 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)N(CCC#N)Cc2ccco2)cc1 426118098 GFLJLPQZTISECM-UHFFFAOYSA-N 436.899 5.157 30 20 IKED Cc1cc(OCc2ccccc2)ccc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 428730099 IZUMSVMXLITSGM-UHFFFAOYSA-N 436.515 5.604 30 20 IKED N#CCCn1ncc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c1-c1ccccc1 429715674 NSJJCACFNMRFEK-UHFFFAOYSA-N 439.494 5.014 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cnn1-c1cccc(C(F)(F)F)c1 430617774 OWGRAIBNJQRQDB-HNNXBMFYSA-N 432.471 5.444 30 20 IKED CCC[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1cccc(C(F)(F)F)c1 432489326 JXWXCCRBARCECA-IBGZPJMESA-N 431.458 5.343 30 20 IKED CC[C@H](NC(=O)N[C@@H](c1cc(F)ccc1F)C(F)F)c1nc(C(F)(F)F)cs1 433607146 WBDQWTVOPAHHAP-JQWIXIFHSA-N 429.361 5.197 30 20 IKED C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 434211927 OZIQKXMJBVCXDX-AFMDSPMNSA-N 441.531 5.188 30 20 IKED CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccccc2SCCC#N)C1 435874366 JRRBQBZMUIKQPL-UHFFFAOYSA-N 432.593 5.052 30 20 IKED Cc1cc(-c2cc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c3c(C)noc3n2)c(C)o1 436325329 NOUBFFIJHYEIRP-JTHBVZDNSA-N 440.503 5.320 30 20 IKED C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 438015978 UNFQRAHTBNYZCD-LAUBAEHRSA-N 434.367 5.081 30 20 IKED CC(C)[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nc(C2CC2)no1 438660507 LULICMBWLZVINB-HXUWFJFHSA-N 435.459 5.269 30 20 IKED Cc1ccnc(Oc2cc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)ccc2C)c1 438671006 FHCHSRHAFZHEIQ-PKTZIBPZSA-N 426.520 5.794 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)Nc2csc3ccccc23)cc1F 440510772 QNFLXXSKPBGNMS-UHFFFAOYSA-N 431.448 5.282 30 20 IKED CCN(C(=O)C(=O)Nc1cc(C#N)ccc1C)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 441654817 DYRFHIJDEZELCS-IBGZPJMESA-N 441.531 5.091 30 20 IKED Cc1ccc(CN(Cc2ccco2)C(=O)NCc2cccc(C#N)c2)c(Br)c1 442159547 CGLSIOMDEQUJIR-UHFFFAOYSA-N 438.325 5.134 30 20 IKED COc1cccc(C(=O)c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc2)c1 444453786 KGYACMVDNYTHDI-QFIPXVFZSA-N 438.508 5.540 30 20 IKED COc1cc(C#N)ccc1OCCN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444731740 JPIJSUFMJRMFMB-MRXNPFEDSA-N 432.364 5.248 30 20 IKED C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1C[C@H]2CC[C@H]1c1ccccc12 460544385 FCHQRTPEQVURPL-AKAGGGOCSA-N 426.564 5.538 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2Cn2cccn2)cc1Cl 462114111 UVMCFIBVGIITKM-QHCPKHFHSA-N 426.907 5.493 30 20 IKED Cc1cccc(Br)c1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 463066315 FPFLCFXWPUOLFY-UHFFFAOYSA-N 445.367 5.025 30 20 IKED CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 463666899 WKVNSFLDTPFNDB-UHFFFAOYSA-N 431.467 5.727 30 20 IKED N#Cc1ccc(NC(=O)N(CCCOc2ccccc2)C2CCOCC2)cc1C(F)(F)F 463962901 XBRVXJHYPXWTEQ-UHFFFAOYSA-N 447.457 5.059 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1 464857885 RMHBPPIRENLTPO-UHFFFAOYSA-N 434.499 5.465 30 20 IKED CC(C)(C)Cc1nc(-c2ccc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc2)no1 464943615 UWPOVZJGQDXLIZ-FGZHOGPDSA-N 428.536 5.237 30 20 IKED Cc1nc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)oc1-c1ccc(Cl)cc1 468285829 CSGWFAJNVCIDET-UHFFFAOYSA-N 434.927 5.026 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)CN[C@@H](c3ccccc3)C(F)(F)F)c2)cc1 469233134 UKCMKUOSHSDBBB-QFIPXVFZSA-N 425.410 5.182 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(OCC(F)(F)F)cn1 469414426 RDFSGFKDPZOEHK-UHFFFAOYSA-N 449.376 5.300 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(C(=O)CCc3ccc(C#N)cc3)C2)n1 470403039 HHMQOSQDGHXVJU-FQEVSTJZSA-N 431.561 5.029 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)Nc3ccc(OC4CCCCC4)cc3)ccc21 470555032 CVGSSUFQBJFIMD-UHFFFAOYSA-N 446.551 5.625 30 20 IKED N#CC[C@H](CC(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1)c1ccccc1 474913490 YEULHUZQOARRLF-ISKFKSNPSA-N 429.589 5.051 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)cc1C 475914531 ADJYRBIMZRSJQT-IBGZPJMESA-N 449.624 5.802 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)C[C@H](CC#N)c1ccccc1 476083529 INRDMVLBZKINNG-IBGZPJMESA-N 426.495 5.714 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 476170854 XUQMHISPUUQRAM-SFHVURJKSA-N 431.502 5.807 30 20 IKED N#Cc1ccc(CNC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@H](F)C(F)(F)F)(C4)C3)cc1 477100132 QDEBYPSBFCPRNV-JTMYGCHMSA-N 444.419 5.297 30 20 IKED C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(Br)cn1 477789155 HIXMZCQQILEUPC-AWEZNQCLSA-N 438.350 5.358 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)CSCc1ccc(Br)cc1 482129808 FFLODSLUHYQGNH-UHFFFAOYSA-N 441.350 5.380 30 20 IKED C=CCSc1ccccc1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 482362611 ODSRZYAAQALJGK-KBMIEXCESA-N 431.561 5.209 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)nnc1-c1cccs1 489406261 OVKSNIVMYHTBRS-CYBMUJFWSA-N 427.530 5.543 30 20 IKED C=C(C)Cn1c(SCCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccncc1 489407010 LGSCJTHMXRAHIT-UHFFFAOYSA-N 448.379 5.344 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnn(C(C)(C)C)c2-c2ccccc2)cc1 489919524 CELHILFLPSNYMJ-UHFFFAOYSA-N 442.563 5.372 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c(C)c1 498827660 FSFPNXLNCNHJSL-KRWDZBQOSA-N 426.561 5.251 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(CN2CCCC2=O)c1 500733668 QCNDXOICZMGRSS-UHFFFAOYSA-N 425.488 5.034 30 20 IKED C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 501477893 KAPPURPCYNCRLS-IQGLISFBSA-N 439.515 5.178 30 20 IKED Cc1oc(-c2ccco2)nc1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 503155593 FHTYCPMFALTYFM-UHFFFAOYSA-N 433.851 5.742 30 20 IKED C=CCN(Cc1cccs1)C(=O)N[C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 503847857 RCZHBPZJJBAJCH-DEOSSOPVSA-N 436.577 5.447 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 505062650 SSMYGYPPSNGYCU-VWLOTQADSA-N 448.588 6.064 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)cc1 505616783 BTOVQZUNPHJZHV-ZHRRBRCNSA-N 441.487 5.206 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccnc(Sc3ccccn3)c2)CC1 506533715 MYCLBVCAEVHSDE-UHFFFAOYSA-N 445.548 5.011 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)cc1 508142767 LXZRFNKXYZGXAT-UHFFFAOYSA-N 430.529 5.374 30 20 IKED CC[C@H](C)n1ncc2c(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cc(C)nc21 508942053 NUYZTODFQQZCHO-KRWDZBQOSA-N 440.507 5.330 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SC[C@H](OC)c1ccc(Cl)cc1 509096885 HJIXVTPHQWPRBD-IBGZPJMESA-N 433.936 5.315 30 20 IKED Cc1c(C#N)cccc1C(=O)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C 509533118 PGFLVJWISZKNBP-UHFFFAOYSA-N 437.849 5.028 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N[C@H](C)c2sc(-c3ccccc3)nc2C)c1C#N 509606629 SZKOQRQSXZPSRG-CYBMUJFWSA-N 434.590 5.476 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2OC(F)F)cc1Cl 509646279 JWOSHCZVWCCQNL-QGZVFWFLSA-N 448.878 5.398 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCCc3nc(O)ccc32)cc1Cl 510022339 CJLZDKXAIYULRF-KNQAVFIVSA-N 432.911 5.295 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccccc3)C2)cc1Cl 510025405 DDMJRUUOFGZESO-ISKFKSNPSA-N 431.923 5.601 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 510395777 RYJSTSCOTOAWOD-QFIPXVFZSA-N 430.508 5.292 30 20 IKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)c12 513652955 DANQBMNGFGUONW-CQSZACIVSA-N 429.530 5.105 30 20 IKED COc1ccc(CNc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)cc1OCCCC#N 517401018 CQHDNKJOZSDMPH-FQEVSTJZSA-N 435.568 5.313 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OCC(C)C)c(OC)c3)n2)cc1 517800805 JVYLYQGSCSXNIF-IBGZPJMESA-N 436.533 5.352 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NCCSCc3ccccc3C#N)c2)cc1 517906210 VRKQPCWBXBTFDI-UHFFFAOYSA-N 428.517 5.277 30 20 IKED CC(C)(C)c1noc2ncc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc12 518135927 WOOKSYKVTLEPKN-UHFFFAOYSA-N 442.494 5.374 30 20 IKED COc1cccc(C[C@@H]2CCCN2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 519192773 QPXFCFNKEDHJMZ-QFIPXVFZSA-N 427.504 5.598 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H](CC(F)(F)F)c3ccccc3)c2)cc1 520595564 JNRVWMKCKSRSDB-NRFANRHFSA-N 425.410 6.166 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 520826377 QDYNTSOMANAGJK-INIZCTEOSA-N 431.492 5.994 30 20 IKED CCCOc1ccc([C@@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1OC 521091560 SHAWHONGUACDDW-QGZVFWFLSA-N 431.492 5.034 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)c2cc3cc(Br)ccc3o2)CC1 521110550 MYHAJZJTBCRWGH-UHFFFAOYSA-N 439.309 5.187 30 20 IKED COc1ccc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1Br 521259436 MUMVJLQLYNNQFQ-CYBMUJFWSA-N 434.359 5.031 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)c1 522816160 SKJZYOXPZYKXBO-UHFFFAOYSA-N 445.862 5.823 30 20 IKED Cc1csc(Sc2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2)n1 523274743 UNMVPYSYDFTIPF-UHFFFAOYSA-N 447.541 5.899 30 20 IKED CCCCN(C)CC1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 523953891 GIQFNPGAEOTDNW-UHFFFAOYSA-N 439.987 5.588 30 20 IKED N#C[C@@H](NC(=O)c1cc(-c2ccccn2)ccc1Cl)c1ccc(Br)cc1 534359588 RVFTVECRLUFEPB-LJQANCHMSA-N 426.701 5.159 30 20 IKED CN(C(=O)c1ccc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)cc1)c1ccccc1 534571162 ZVOIOVKPQXRNQY-UHFFFAOYSA-N 438.512 5.211 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccccn2)nc2ccccc12)c1nc2cc(Cl)ccc2s1 535404380 MLFDNAVZNDPVAD-QGZVFWFLSA-N 440.915 6.050 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](CC)c2ncc(-c3ccccc3)[nH]2)cc1 541066002 UIRBXJZYDDCCID-JOCHJYFZSA-N 443.551 5.164 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 541636209 OMLQZLMOQKHGIU-GHTZIAJQSA-N 437.433 5.402 30 20 IKED FC(F)(F)c1cc([C@@H](NCc2nc3ccccc3o2)C(F)(F)F)cc(C(F)(F)F)c1 542123741 RXBIQMCGZIXIEQ-OAHLLOKOSA-N 442.281 6.259 30 20 IKED CCC(C)(C)OCc1ccccc1NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 542717925 KLYIDIYBDVVJAR-FQEVSTJZSA-N 438.547 5.193 30 20 IKED CO[C@@H](C)CCC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 544012524 BIPGLKLVJQLGPX-ISVAXAHUSA-N 425.291 5.259 30 20 IKED N#Cc1ccc(Oc2ccc(-c3nc(-c4ccc(Oc5ncccn5)cc4)no3)cc2)nc1 546336428 SQRSELFYBAMOGQ-UHFFFAOYSA-N 434.415 5.045 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1c(F)cncc1F 554138059 KMLZXLBJRVTKLX-SUMWQHHRSA-N 426.854 5.551 30 20 IKED C=CCn1c(S[C@H](C(=O)N(C)C2CCCCC2)C(C)C)nnc1-c1ccc(OC)cc1 554218475 HYVDNPWDHKFRIV-NRFANRHFSA-N 442.629 5.048 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(OC(F)F)c2ncccc12 562154249 ISRAQOHPEAJTDX-UHFFFAOYSA-N 429.471 5.224 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)Cc2noc(-c3cn(CCCC#N)c4ccccc34)n2)cc1 566704362 DDGCFQGNRRJPHT-GOSISDBHSA-N 441.535 5.690 30 20 IKED O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)N[C@H](c1cccc(F)c1F)C(F)(F)F 568136423 UCIJNQNNNJRZFY-CYBMUJFWSA-N 448.298 5.378 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1 575460048 LYLHGWBUEXRCRT-GHTZIAJQSA-N 446.597 5.350 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3ccc(C(=O)Nc4ccccc4)cc3)cc2)ccn1 580659425 PITROBLDEKAODF-UHFFFAOYSA-N 434.455 5.250 30 20 IKED CCOc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OCC 603504957 HRHKUPPNKPYIJM-UHFFFAOYSA-N 432.545 5.900 30 20 IKED Cc1c(Br)cccc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 608880052 QKMNYBLGXDEGDJ-UHFFFAOYSA-N 437.362 6.174 30 20 IKED C[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(OCc2cccnc2)cc1 609126295 IIRHRBWXRXZEPI-FQEVSTJZSA-N 449.510 5.816 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(C)(c1ccccc1)c1ccccc1 609163428 GSHVIXMMPLQRMC-UHFFFAOYSA-N 433.511 5.999 30 20 IKED CCc1ccccc1NC(=O)CN(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609209178 ZWLDLCRBICSDEA-UHFFFAOYSA-N 428.492 5.015 30 20 IKED CCN(Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1)C(C)C 609378261 YZEXICHYOIQQGG-UHFFFAOYSA-N 449.542 6.194 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(CC(=O)NC4CCCC4)CC3)cc2)c1 609433898 QDCPZPBGMAJRKW-UHFFFAOYSA-N 446.551 5.043 30 20 IKED CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1Cl 609689778 GBFPBDUJSXYKFN-QRWLVFNGSA-N 429.973 5.186 30 20 IKED C[C@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccc(Br)s1 610290579 BSVRNBJMSBMDKI-LBPRGKRZSA-N 428.311 5.312 30 20 IKED COc1cccc2c1OCC[C@@H]2NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 611802658 WQGWYSOBHVOSFX-HXOBKFHXSA-N 427.504 5.118 30 20 IKED CC(C)(C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1F 612994234 GEOUVNULADJZQM-URLYPYJESA-N 444.347 5.037 30 20 IKED N#Cc1ccc(N2CCC[C@@H]2c2nc(-c3ccnc(Oc4ccccc4Cl)c3)no2)cc1 615131567 PXQAYTLYNSTMLI-HXUWFJFHSA-N 443.894 5.790 30 20 IKED O=C(NCc1ccc(F)cc1)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 615934847 DGEPCWWMPYBTQQ-UHFFFAOYSA-N 440.315 5.030 30 20 IKED C[C@H](NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(OC(F)F)cc1 618554656 WYEDFGFUTASURQ-MVWJERBFSA-N 434.327 5.121 30 20 IKED C=C(C)Cn1c(N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)nnc1C(C)(C)c1ccccc1 670196958 QNKNXFBCPRNFDY-HZPDHXFCSA-N 446.439 5.357 30 20 IKED Cc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c(OCC(F)(F)F)c1 674560425 BJROAIIUSZZOFB-AOOOYVTPSA-N 438.290 5.141 30 20 IKED C[C@@H](OC(=O)[C@H](C)c1c(Cl)cccc1Cl)C(=O)N(CCC#N)c1ccc(F)cc1 726027582 AQNMGAQKNGSDGZ-ZIAGYGMSSA-N 437.298 5.115 30 20 IKED N#CCCn1cc(C(=O)COC(=O)/C=C\c2cccc(OC3CCCC3)c2)c2ccccc21 727888168 WFFVEAGUDIPALC-YPKPFQOOSA-N 442.515 5.316 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3Cl)n2)cc1 730692488 YXWUESRNAKBCOL-FGTMMUONSA-N 443.355 6.105 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1csc(COc2ccc(F)cc2)n1 731332343 JKKPSKFAVWKGGA-AWEZNQCLSA-N 427.526 5.508 30 20 IKED O=C(/C=C/c1cccc(OCCCc2ccccc2)c1)c1ccc(C(F)(F)F)nc1O 731936582 BGANFPJLJWJQOF-ACCUITESSA-N 427.422 5.714 30 20 IKED C[C@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)C12CC3CC(CC(C3)C1)C2 732398217 AUJZBGJMCXNHBY-PYXYBPNLSA-N 430.504 5.076 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 732900967 GOWXEJUJBVZCQR-OAQYLSRUSA-N 442.421 5.871 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2cccc(OCc3cccc(C)c3)c2)ccc1OC 733227777 DETHQUZBRMKOAJ-QHCPKHFHSA-N 444.531 5.194 30 20 IKED C#CCN(C(=O)Nc1ccccc1C(C)(C)C)[C@H]1CCOc2ccc(Br)cc21 733615111 SJZOTRNGZKTFHS-FQEVSTJZSA-N 441.369 5.738 30 20 IKED CCOc1c(OC)cc(/C=C/C(=O)c2ccc(SCC(F)(F)F)cc2)cc1OC 741844460 VDSNPKYRRHNTCJ-BJMVGYQFSA-N 426.456 5.653 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C)c(NC(=O)OC(C)(C)C)c2)cc1 744033922 WYUMFGIGMMNFTM-KKSFZXQISA-N 449.551 5.817 30 20 IKED C[C@H](c1cccs1)N(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)Cc1ccccc1 746156383 JZMNUFFXGHAIMA-NQIIRXRSSA-N 438.556 5.549 30 20 IKED COc1ccc(/C=C2/SC(=S)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1OCCCC#N 747473140 UBRNKPDMWYRLCG-OXHJYCSFSA-N 430.595 5.158 30 20 IKED O=S(=O)(Nc1nccs1)c1ccc(NN=CC(c2ccccc2)c2ccccc2)cc1 748082170 ZOHXVIAWZHZWHO-UHFFFAOYSA-N 448.573 5.174 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 750200341 BZQXZDNFKFLNKB-GOSISDBHSA-N 447.379 5.212 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@@H]2c2cccc3ccccc23)cc1C#N 752305603 PSDXRCNXOMIELJ-HSZRJFAPSA-N 428.492 5.649 30 20 IKED COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)Nc2cccc(OCC#N)c2)c1 752499678 JKMZIQBRBZTBJW-JWQCQUIFSA-N 427.504 5.360 30 20 IKED CC(C)c1nn(Cc2ccccc2)c(Cl)c1C=NNc1c(F)c(F)nc(F)c1F 754713947 QRBXHDZSTGIUAH-UHFFFAOYSA-N 425.817 5.106 30 20 IKED CCOc1ccccc1NC(=O)[C@H](OC(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 754903916 XKZUKYKYCCECRY-JOCHJYFZSA-N 434.879 5.147 30 20 IKED C=CCC(CC=C)C(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1 759007071 JIHIFYDBKYOTHV-UHFFFAOYSA-N 432.973 5.910 30 20 IKED CC(=O)Nc1ccc(C(C)=NO[C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)cc1 760429707 OYSCDILLUUNOPR-LBPRGKRZSA-N 433.295 5.504 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN2CCSC[C@H]2c2ccc(Cl)cc2)c1=S 765017076 YCVUXORBWDITQW-IBGZPJMESA-N 444.029 5.063 30 20 IKED C[C@H](C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1 766624090 ZEYNJUWUFMPDEM-QFYYESIMSA-N 440.124 5.207 30 20 IKED CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(OCc2ccccc2F)cc1 767212172 LJMDLPUMHASQJH-UHFFFAOYSA-N 448.523 5.233 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(O)(c4ccccc4)CC3)cc2Cl)cc1 767644975 RWDASZOBYSQKIR-UHFFFAOYSA-N 447.922 5.519 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Oc2cccc(OCC(F)(F)F)c2)c1C(F)F 769681510 DLECFVZFUHFPSG-UHFFFAOYSA-N 432.267 5.020 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CCCC[C@@H]2c2ccc(F)cc2F)c1=S 769846231 MFIWBOGTSXUBCF-HXUWFJFHSA-N 427.524 5.125 30 20 IKED N#CCN(C(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1)C1CCCC1 772143004 OSABXICOHUFCGW-UHFFFAOYSA-N 434.721 5.198 30 20 IKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(Sc2ccc(Cl)cc2)cc1 773769804 LEWDAWAROMREEQ-LJQANCHMSA-N 436.920 5.461 30 20 IKED CC(=O)N(c1nc(COC(=O)/C=C\c2ccccc2C#N)cs1)c1c(C)cc(C)cc1C 775084174 OUDHQWMAMRGDKL-KTKRTIGZSA-N 445.544 5.381 30 20 IKED C[C@@H](N[C@H](c1ccccc1)c1ccc(Br)cc1F)c1ccc(OCC#N)cc1 776160153 MCZDYQZAPHTJMZ-WAIKUNEKSA-N 439.328 5.931 30 20 IKED COc1cc(/C=C\C(=O)c2cccc(-c3ccncc3)c2)c([N+](=O)[O-])cc1OCC(F)F 778518035 CENDCWGUFNSCQU-WAYWQWQTSA-N 440.402 5.205 30 20 IKED CC(C)n1cc2c(n1)[C@@H](NC(=O)Nc1ccc(Oc3ccccc3C#N)c(F)c1)CCC2 780427727 VCVFYMIBCBDYCM-FQEVSTJZSA-N 433.487 5.466 30 20 IKED CCOc1ccc([C@@H](NC(=O)Nc2ccccc2O[C@@H](C)C#N)C(C)C)cc1OCC 780673883 GERSNTRDPQHHAA-SBUREZEXSA-N 425.529 5.294 30 20 IKED CC(C)N1CC[C@@H](NC(=O)Nc2ccccc2O[C@H](C)C#N)[C@H]1c1ccc(Cl)c(F)c1 788297097 PYEAZIMQWCPXGX-RBQRDFNRSA-N 444.938 5.115 30 20 IKED N#CCCn1cc(C(=O)COC(=O)c2ccccc2OCc2ccccc2)c2ccccc21 790421178 LJPWLTLCKGOGIK-UHFFFAOYSA-N 438.483 5.174 30 20 IKED C=CCC1(C(=O)OCc2csc(N(C(C)=O)c3ccc(Cl)c(Cl)c3)n2)CCC1 791557532 FHLPHDKEUPYGPQ-UHFFFAOYSA-N 439.364 5.924 30 20 IKED Cc1c(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cccc1NC(=O)N(C)C 791909840 AWORKFADZNMIKV-UHFFFAOYSA-N 433.537 5.010 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=S)NCCc1ccc(Cl)cc1Cl 795137842 BYLVPPRAMRFSOO-UHFFFAOYSA-N 425.429 5.266 30 20 IKED COc1ccc(C(=O)C[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 796795463 BVPMAASIVQIVCU-IFXJQAMLSA-N 438.936 5.557 30 20 IKED N#Cc1cc(C(=O)O[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)cnc1C(F)(F)F 815968820 VJOFNOVQTRHWHA-ZDUSSCGKSA-N 442.237 5.451 30 20 IKED C=CCOc1ccccc1C(=O)O[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 913366185 AGEZDGFRSVRGPS-XMMPIXPASA-N 431.488 5.105 30 20 IKED C=CCOc1ccccc1C(=O)OCc1csc(N(C(C)=O)c2ccc(CC)cc2)n1 913366320 FFMLSQXGXZJYCN-UHFFFAOYSA-N 436.533 5.312 30 20 IKED O=c1c2ccccc2nc(S)n1N=Cc1ccc(-c2cccc(Br)c2)s1 914600556 WIMURBYAHSDNOP-UHFFFAOYSA-N 442.363 5.058 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnc3ccccc3c2C(F)(F)F)cc1 915180986 VBXFFRBDDDDGGP-HXUWFJFHSA-N 431.417 6.161 30 20 IKED CCCOc1c(Br)cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1OC 916137778 WHMUMKWAAGCJNE-SOFGYWHQSA-N 435.314 5.160 30 20 IKED N#C[C@H](C(=O)Cc1ccc(Cl)cc1Cl)c1nc(O)c2c3c(sc2n1)CCCC3 916653604 PDIJBOXNFODILS-CYBMUJFWSA-N 432.332 5.001 30 20 IKED C=CCc1ccc(OC(=O)CCc2ncc(-c3ccccc3Br)o2)c(OC)c1 919680842 SHKVUMORBURRHA-UHFFFAOYSA-N 442.309 5.379 30 20 IKED Cc1ccc(C)c2c(C)c(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)oc12 920108299 TWSBBBGIBSCQPL-INIZCTEOSA-N 428.460 5.634 30 20 IKED COc1c(Cl)cc(Cl)cc1C=Nn1cnnc1SCc1ccc(Cl)cc1 921256149 MDHWUVIOJDMJCM-UHFFFAOYSA-N 427.744 5.421 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCc3ccc(F)nc3)cc2)CCC1 1786815384 FIPJXKYOCBQSKF-QFIPXVFZSA-N 435.543 5.056 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5ncccc5c4)CCC3)cc2)cc1 1790287595 JAWLVILPTIDTGG-UHFFFAOYSA-N 446.510 5.168 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4cccs4)CCC3)cc2)cc1 1790703607 UUXJLZFFENLMAO-UHFFFAOYSA-N 443.572 5.195 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(C)oc3C(F)(F)F)CCC2)cc1 1791582406 VBKPTGJSDIZCJU-UHFFFAOYSA-N 432.442 5.158 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)CCOc3ccc(C)cc3)CCC2)cc1 1791726165 AYVAARAHZPTUDG-UHFFFAOYSA-N 432.564 5.092 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@]3(F)CCCCC3(F)F)CCC2)cc1 1791729066 QIEODVUWVCJKBL-QHCPKHFHSA-N 434.502 5.232 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C(C)=C/c2ccc(C)o2)n[nH]1 1819488341 WGVFSEGICWSCGE-RLHAVTDZSA-N 438.572 5.399 30 20 IKED Cc1cc(Cl)ccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 1823912728 XTKVZEPQHNUCFU-XMMPIXPASA-N 449.982 5.067 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3nc(C)sc23)CC1 1831371624 XIIGRMYNUYHIFC-JTSKRJEESA-N 439.625 5.050 30 20 IKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 1832830295 QSFMWXLPOYBBLN-SANMLTNESA-N 428.576 5.000 30 20 IKED C=CCn1c(SCC(=O)Nc2cccc(C#N)c2)nnc1-c1ccc(Cl)cc1Cl 15738863 ZHHFFPHJEPQLEA-UHFFFAOYSA-N 444.347 5.040 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1-c1ccc(Cl)cc1 17708513 KEFIBQQONDNTPE-OAHLLOKOSA-N 437.956 5.996 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(CC#N)cc2)nnc1-c1ccc(C(C)(C)C)cc1 20068353 AMMSYNHGJXEDHT-UHFFFAOYSA-N 445.592 5.225 30 20 IKED C[C@@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)C(=O)Nc1ccccc1C#N 21459666 HVMKBOXDEDPNFP-LLVKDONJSA-N 432.983 5.308 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](CC)c2ccc(Cl)cc2)nnc1-c1ccoc1C 23519004 OUFAPOZYJHLBCH-SFHVURJKSA-N 430.961 5.046 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(NC(=O)NC2CC2)cc1 26919882 XBZDJCIQKOXUPW-UHFFFAOYSA-N 428.517 5.246 30 20 IKED C=CCn1c(SCc2nc3ccccc3c(C)c2C(=O)OCC)nnc1-c1ccco1 31159604 LOSDMNDSKLLUGJ-UHFFFAOYSA-N 434.521 5.050 30 20 IKED Cc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cs2)c(C)c1 58029136 AJDAPBRVFOGHDY-LJQANCHMSA-N 440.553 5.912 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3csc(-c4ccccc4F)n3)c2)c1 63781135 FPIYUVBEXFYFHO-UHFFFAOYSA-N 442.475 5.325 30 20 IKED Cc1cccc(OC[C@@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 65447764 SNCVDXUWFFKVIK-HXUWFJFHSA-N 429.520 5.229 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 72025255 WVFDLJNQYKXHPP-INIZCTEOSA-N 433.489 5.687 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC(C)(C)CCC)c1 109593912 ZACLORGPUSXENK-UHFFFAOYSA-N 434.989 5.030 30 20 IKED CCN(C[C@H](C)C#N)Cn1nc(-c2ccc(Cl)cc2Cl)n(CC(C)C)c1=S 110494458 GCUFMKXJDXLUQV-CQSZACIVSA-N 426.417 5.483 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(Br)cs2)cc1 195715371 JODWVCKCMFHHDX-UHFFFAOYSA-N 427.323 5.408 30 20 IKED CC[C@H](C#N)Oc1cccc(CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 236900042 PQUVQQZMCRVXGJ-LJQANCHMSA-N 431.483 5.800 30 20 IKED COc1ccccc1CN(CC(=O)Nc1ccccc1SCC#N)Cc1cccs1 301511284 ZFGQXSMCSIPHLK-UHFFFAOYSA-N 437.590 5.013 30 20 IKED CC(C)n1cnnc1[C@H]1CCCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1 303632150 FXMXGVDKPRZYFN-SFHVURJKSA-N 449.942 5.196 30 20 IKED C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)o1 409807080 JSLDNEJCFOOMTC-NSEXGNSCSA-N 425.488 5.269 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(Cl)cc2Br)c1-c1ccccc1 428500792 MONDXXSJVADMLD-UHFFFAOYSA-N 429.705 5.132 30 20 IKED CC(C)Oc1ccc(NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1Cl 437417100 IZKJWCAWHOJAKW-UHFFFAOYSA-N 449.894 5.368 30 20 IKED CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)[C@@H](C)c1cccc(O)c1 437899585 SKEZUTDHEFDOFC-INIZCTEOSA-N 435.911 6.325 30 20 IKED CCc1ccc([C@H](COC)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)o1 438189149 SLRFTUXXNCSGDI-FQEVSTJZSA-N 435.480 5.024 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 438623613 DFNUNIYQHAXORA-QUCCMNQESA-N 445.485 5.822 30 20 IKED COc1ccc(Br)cc1[C@H]1CCCN1C(=O)N[C@H](CCC#N)c1ccccc1 438836066 DYFYPXBFRBNIST-WOJBJXKFSA-N 442.357 5.349 30 20 IKED COCCN(C(=O)N[C@H](CCC#N)c1ccccc1)[C@@H](C)c1cccc(C(F)(F)F)c1 438840611 NLNLDEVMVPMVIQ-LAUBAEHRSA-N 433.474 5.469 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(OC(C)C)cc2C(F)(F)F)c1 439359922 PJJCKZXDHAZGFQ-UHFFFAOYSA-N 436.430 5.025 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N(CCCO)[C@@H]3CCc4ccccc43)c2)cc1 443903865 UMQXBCKBQKHEIM-RUZDIDTESA-N 427.504 5.254 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)c1C#N 445568124 WRELCZAWNGFFRU-UHFFFAOYSA-N 442.500 5.181 30 20 IKED COc1ccc(CCN(Cc2ccsc2)C(=O)[C@H](C)c2cccc(C#N)c2)cc1OC 464032594 QYPNEIDXDBFPKT-GOSISDBHSA-N 434.561 5.012 30 20 IKED N#CCSCCCSc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1 466616056 LAKUTQUEOKRYRF-UHFFFAOYSA-N 436.393 5.375 30 20 IKED Cc1ccc2oc(CN(Cc3ccco3)C(=O)Nc3ncccc3OCCCC#N)cc2c1 466618670 GXLPTVFXMOSLGW-UHFFFAOYSA-N 444.491 5.646 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)N(C)Cc1ccc(C#N)cc1 467276875 FHOOOCIQMANYTP-UHFFFAOYSA-N 432.911 5.436 30 20 IKED N#CCCCn1cc(C(=O)N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)c2ccccc21 469585031 NCQGEWJHMZTXEO-JYFHCDHNSA-N 440.591 5.072 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)CNc2cccc(NC(=O)c3ccccc3)c2C)c1 470547684 PFXJKROPUJZJBD-UHFFFAOYSA-N 440.547 5.223 30 20 IKED CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470556577 PBZMUCXBUUWVQV-LJQANCHMSA-N 448.567 5.077 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc(C(F)(F)F)ccc3F)c2)c1 471185555 CDRDSUCQKXXWMU-UHFFFAOYSA-N 427.357 5.221 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F 473782506 BHPHAPWQMLOOMB-AZUAARDMSA-N 439.441 5.195 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cc(O)nc2ccc(F)cc12 474261451 ZOEGZOGNHJHOJT-INIZCTEOSA-N 446.322 5.522 30 20 IKED N#CC[C@@H](CC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1)c1ccccc1 476393266 QLBGSJRPTBYNQO-INIZCTEOSA-N 437.297 5.057 30 20 IKED N#Cc1ccccc1Sc1ccc(-c2nc(CC(=O)Nc3ccccc3Cl)no2)cc1 481072526 OBGSAXYHCXSANU-UHFFFAOYSA-N 446.919 5.594 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)N[C@@H](c3cccc4ccccc34)C(F)(F)F)CCO2)c1 482399624 BXGJAXBXJXHCOA-YADHBBJMSA-N 439.437 5.098 30 20 IKED C=CCSc1ccccc1C(=O)Nc1c(Br)cc(F)cc1Br 486409770 PGSKYYJBRKWCFS-UHFFFAOYSA-N 445.151 5.881 30 20 IKED C[C@@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1nc(C(F)(F)F)cs1 489920013 BAPADPISBQIPKG-CYBMUJFWSA-N 431.439 5.104 30 20 IKED CC(C)c1c(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)cnn1-c1ccc(C(F)(F)F)cn1 505797593 WEJQXSPFILXEEQ-QGZVFWFLSA-N 447.848 5.058 30 20 IKED N#C[C@@H](NC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1ccc(Cl)c(Cl)c1 505944799 WFMWZMFCDYRXIU-GOSISDBHSA-N 445.375 5.201 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)cc1 508146687 VXGJIXQUENERGA-OAHLLOKOSA-N 433.335 5.214 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)cc2)cc1 508180273 YFKJNEZDSQMAMG-UHFFFAOYSA-N 440.478 5.216 30 20 IKED C[C@@H](Sc1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C(N)=O 510466196 VJIRRSAOPKAJMY-FOIQADDNSA-N 449.963 5.214 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2csc(-c3ccccn3)n2)cc1 512540863 PWZUJSKUBZHJEE-UHFFFAOYSA-N 442.500 5.059 30 20 IKED CCOc1cc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1OC 512720720 MWPPNYOZMGLKLQ-UHFFFAOYSA-N 445.519 5.061 30 20 IKED C[C@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)C(=O)N1CCC[C@@H]1c1cccs1 514962401 NARPBJSHDNOWQG-HNAYVOBHSA-N 449.601 5.608 30 20 IKED Cc1ccc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)cc1NC(=O)c1ccccc1F 515098206 RJZYZDFKFIILCK-UHFFFAOYSA-N 429.495 5.561 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C 516176289 HUPLXCCUNUBDRL-HNNXBMFYSA-N 432.014 6.292 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccccc3)C[C@H]3CCCO3)cc2)c1 517530470 RRJGDYKESAFLMV-RUZDIDTESA-N 427.504 5.564 30 20 IKED C[C@H](NC(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1ccc(C#N)cc1 518829212 CSNVLSGWBNECAX-ZDUSSCGKSA-N 430.455 5.507 30 20 IKED C=CCc1cc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc(OC)c1OC 519449188 YMVGKMLTJKSYBR-INIZCTEOSA-N 425.554 5.006 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@H](CN4CCCCCC4)C3)cc2)cc1 520356494 IZNLCFMORAHFGV-HSZRJFAPSA-N 431.580 5.273 30 20 IKED C=CCOc1c(Br)cc(CN[C@H]2CCCOc3ccc(F)cc32)cc1OC 520944639 DBVLXHJNCXNJFO-SFHVURJKSA-N 436.321 5.165 30 20 IKED N#CC1(C(=O)NCCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CCCCC1 521393488 LSQWPCVADOVLHK-UHFFFAOYSA-N 432.955 5.325 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(-c2ccc(F)cc2)no1 521733423 GADMNJGLJYGLML-OAHLLOKOSA-N 441.553 5.747 30 20 IKED CC1CCN(C[C@@H]2CCCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)C2)CC1 523310085 AVMKOFFICDOFHO-DEOSSOPVSA-N 447.648 5.435 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 524004129 CIJLTNCZEPJICO-QGZVFWFLSA-N 433.487 5.088 30 20 IKED Cc1nc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nc2ccccc12 524004293 HLVCHOVFUIRGTB-OAQYLSRUSA-N 441.922 5.569 30 20 IKED CCO[C@@H](C)c1noc(CSc2nc(-c3ccc(C)o3)cc(C(F)(F)F)c2C#N)n1 524239087 JDGAHTZZRANIQC-NSHDSACASA-N 438.431 5.313 30 20 IKED Cc1nn(-c2ccccc2)cc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524405920 SUVUWPHKKHFMHX-UHFFFAOYSA-N 442.906 5.537 30 20 IKED N#C[C@@H](C(=O)c1ccccc1CCC(F)(F)F)c1nc(-c2c(F)cccc2F)cs1 533930408 NTJZAUZKJIOMPQ-AWEZNQCLSA-N 436.405 6.073 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2cccnc2)nc2ccccc12)c1nc2cc(Cl)ccc2s1 533953882 HZKPNHFRONIYAU-SFHVURJKSA-N 440.915 6.050 30 20 IKED Cc1ccc(-n2c(Cc3ccccc3)nnc2SCCCC2(C#N)CCOCC2)c(C)c1 537466447 AMLAONDLSIFOSF-UHFFFAOYSA-N 446.620 5.668 30 20 IKED C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(-c2ccncc2)cc1 538239239 PUTBUPBBRRENFX-QGZVFWFLSA-N 430.577 5.240 30 20 IKED Cc1cc(NC(=O)c2occc2COc2cccc(C#N)c2)nn1-c1cccc(Cl)c1 538591353 PXJOKMHMFFOBPH-UHFFFAOYSA-N 432.867 5.130 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3C3CCOCC3)cc2Cl)cc1 540818289 XWKPRPIJUPSRIW-NRFANRHFSA-N 425.916 5.427 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)c3cc(Br)cc4cccnc34)n2)cc1 550731701 ILISHLZOZYYQHH-UHFFFAOYSA-N 435.306 5.245 30 20 IKED Cc1ccccc1CNc1ccccc1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 552152037 OINCRFSREDGYPT-UHFFFAOYSA-N 442.538 5.473 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2noc(-c3cccs3)n2)cc1Cl 553623860 LPXHFBMTROMYRE-QGZVFWFLSA-N 449.923 5.429 30 20 IKED N#Cc1ccccc1COc1ccc(-c2nc(CC(=O)Nc3ccccc3Cl)no2)cc1 554051343 DVAPNEYPOADNRA-UHFFFAOYSA-N 444.878 5.022 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 566879825 SUPMZZQMEGZYHL-ROUUACIJSA-N 432.549 6.008 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 566928954 DKBFSBJTCQSJHW-GOTSBHOMSA-N 426.992 5.232 30 20 IKED CC1(C)CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)[C@@H]1[C@@H]1CCCO1 571206369 QLOKVQIYPNLTEK-LEWJYISDSA-N 425.916 5.425 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCCCc1nc(C)cs1 589227976 XQTLISZHBWEIBZ-UHFFFAOYSA-N 440.382 5.074 30 20 IKED C=C(C)COc1cccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c1 589381961 FNIGXKLSHFUTID-UHFFFAOYSA-N 428.941 5.512 30 20 IKED N#Cc1ccc(CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(C(F)(F)F)c1 589514802 UBWVCMNPYYBOIP-INIZCTEOSA-N 440.309 6.379 30 20 IKED CN(C(=O)c1ccco1)c1ccccc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 595127427 PGNRDMDJCZTVAF-OAHLLOKOSA-N 435.892 5.309 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1ncc(-c2ccc(Cl)cc2)o1 598951455 AZRBFCGSIPRFJA-OAHLLOKOSA-N 441.940 5.431 30 20 IKED CSCCc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 609048564 QNYNNVOBKMFLCX-UHFFFAOYSA-N 433.552 5.837 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 609061011 HOJBQWTYDKGYOL-OSPHWJPCSA-N 439.515 5.293 30 20 IKED N#C[C@@H](NC(=O)CCc1ccc(-c2ccccc2)[nH]1)c1ccc(OCc2ccccc2)cc1 609172719 APPXBBZRLQXKAK-HHHXNRCGSA-N 435.527 5.574 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccc(C)cc2)cc1 609437029 LPRZUWDHTOVPCM-CLOONOSVSA-N 445.588 6.309 30 20 IKED Cc1ccc(NC(=O)CN(C)C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 609723489 XVNJRSLUSOQNTG-UHFFFAOYSA-N 433.895 5.023 30 20 IKED Cc1cc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)ccc1NC(=O)c1ccco1 609987280 PGQVAVCZPKJUDP-UHFFFAOYSA-N 436.471 5.708 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)N[C@H](C)c1ccc(C#N)cc1 610019734 OZMLPXNGAMMXGP-MRXNPFEDSA-N 427.483 5.442 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ncc(-c2ccccc2)o1 610094005 BPCWKSZDNVLLHF-INIZCTEOSA-N 425.448 5.283 30 20 IKED C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)NCc1ccc(C#N)cc1F 610402366 JPIRDGIIRUYXOF-INIZCTEOSA-N 441.959 5.755 30 20 IKED CC[C@@H](NCc1ccnc(C#N)c1)c1ccccc1OCc1ccccc1Br 611394823 HPQYCCJSUBDUND-JOCHJYFZSA-N 436.353 5.536 30 20 IKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 611839108 BLVAKPMLAVZODC-FDDCHVKYSA-N 449.942 5.029 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(CC)cc2)nnc1-c1ccccc1F 613389363 REHTZFUTUULCOJ-DLBZAZTESA-N 438.572 5.191 30 20 IKED N#C[C@H](C(=O)c1ccccc1C(=O)c1ccc(F)cc1)c1nc2cc(Cl)ccc2s1 613407376 RQZVHYMOXGFEOU-GOSISDBHSA-N 434.879 5.810 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(C3CC3)cc2)cc1Cl 615151072 QGSGMICALVKYOJ-QFIPXVFZSA-N 429.907 5.450 30 20 IKED C[C@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1C(F)(F)F 615816463 PSXTYWHFKWCZFO-HNNXBMFYSA-N 429.442 5.031 30 20 IKED Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1c(Cl)cc(C#N)cc1Cl 619610912 YSCXQROQQFYXFG-UHFFFAOYSA-N 430.335 5.298 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1OC 642282577 GYBCTQBXDYBLRT-ZDUSSCGKSA-N 433.842 5.372 30 20 IKED CC(C)(C)c1nnc2ccc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cn12 681101873 QOEKXCDMMJNBCK-CYBMUJFWSA-N 443.454 5.145 30 20 IKED C[C@H](NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ncc(Br)cc1F 681739606 MZKZZDDRDUNAMV-CIUDSAMLSA-N 437.197 5.543 30 20 IKED CC(C)(C)n1cc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)c(-c2ccccc2Cl)n1 731158721 GYZZPWVMKIBJNR-VAWYXSNFSA-N 449.938 5.811 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Oc3ccc(NC(=O)c4cccs4)cc3)cc2)nc1 731958036 KLPFRPFRFWHTNK-UHFFFAOYSA-N 441.468 5.279 30 20 IKED N#Cc1ccc(OCCCN2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)cc1 732209025 BPRQGVFKSPJHGM-UHFFFAOYSA-N 444.510 5.169 30 20 IKED FC(F)(F)CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccccc1 733079727 JHHJXPXWWJYLNO-UHFFFAOYSA-N 425.336 5.326 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)c1 733772074 ZCPQOTRVMPDYND-XUZZJYLKSA-N 434.536 5.656 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1cc([N+](=O)[O-])ccc1Cl 735413367 MMFHUQHRTOADGC-UHFFFAOYSA-N 434.880 5.036 30 20 IKED C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1cccc(C(F)(F)F)c1 739155505 QVOHYLCHQGWMDA-ABAIWWIYSA-N 426.797 5.339 30 20 IKED Cc1cc(/C=C/C(=O)c2ccc(S(=O)(=O)CC(F)(F)F)cc2)cc(C)c1OC(F)F 741840836 ADTMBCOVHDIWQZ-FPYGCLRLSA-N 448.409 5.137 30 20 IKED N#C[C@H]1C(CN2CC=C(c3cccc4ccccc34)CC2)=CC(=O)n2c1nc1ccccc12 746171578 DOFCLKCTVZOUIX-DEOSSOPVSA-N 430.511 5.166 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)CSCc2ccc(Br)cc2F)n1 747198522 YHUUPCZIPPLAJM-ZDUSSCGKSA-N 427.364 5.278 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)NCc2cc(C#N)ccc2F)nc1-c1ccccc1 748635062 NDKOEEKTXISTAO-NRFANRHFSA-N 432.499 5.522 30 20 IKED Cc1nc(-c2ccc(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2)cs1 749211525 NQEMZRYAXRUYBJ-XMMPIXPASA-N 438.556 6.096 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccnc(OC3CCCCC3)c2)cc1 749421814 AYARXOANCOPAQX-VWLOTQADSA-N 440.547 5.770 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2C)cc1 754476211 VRXFOQNBWZXXQT-UHFFFAOYSA-N 439.516 5.294 30 20 IKED CC(C)(C)OC(=O)NCC(C)(C)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 757303131 CZQHZWKBDQQFJK-HNNXBMFYSA-N 433.961 5.191 30 20 IKED CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 759819699 LMADZZSWLXSBKB-WFASDCNBSA-N 441.475 5.041 30 20 IKED N#Cc1cccc([C@@H]2CN(Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)CCO2)c1 761758688 AEZRYKWLZBAZHK-FQEVSTJZSA-N 429.467 5.274 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)Nc3cccc(Cl)c3SCC(F)F)CCO2)c1 761866222 SIQLMSAESCMJRU-QGZVFWFLSA-N 437.899 5.174 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)Nc3ccccc3OCc3cccc(Cl)c3)CCO2)c1 761868988 ZBYITZNXLOKOGD-XMMPIXPASA-N 447.922 5.396 30 20 IKED COc1cccc([C@H](C#N)NC(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)c1OC 768151068 DKAHMYYYHKRORN-NZQKXSOJSA-N 436.508 5.057 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2nc3ccc(Br)cc3s2)S1 772174360 ANHFKMTZYHURRH-DHDCSXOGSA-N 444.379 5.567 30 20 IKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1 780305865 PDQWLWJFECIIGE-QFIPXVFZSA-N 439.446 5.011 30 20 IKED CCc1sc(-c2nnc(COC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)o2)cc1C 783633915 PXHUSSWYAVMKJC-UHFFFAOYSA-N 446.488 5.085 30 20 IKED Cc1ccc([C@@H](O)c2ccccn2)cc1NCc1cccc(OCc2cccc(C#N)c2)c1 787001591 ZSAPQRFUUHCCEU-MUUNZHRXSA-N 435.527 5.535 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cc(Br)cnc2Cl)c1 787955910 HSDVMCZHKKHTFZ-UHFFFAOYSA-N 442.700 5.200 30 20 IKED C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)[C@@H](C#N)c3nccc4ccccc34)cc2[N+](=O)[O-])C1 792090338 FJJYBIGAGBQENT-LZJOCLMNSA-N 428.492 5.115 30 20 IKED C[C@H](Nc1ccc(OC(F)F)c(C(F)(F)F)c1)C(=O)Nc1ccccc1C(F)(F)F 794892072 KEOHHLUNKBRHQB-VIFPVBQESA-N 442.306 5.765 30 20 IKED CCN(Cc1cccc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1)C(=O)OC(C)(C)C 795197181 JEONRLKIOLNUMO-UHFFFAOYSA-N 437.515 5.125 30 20 IKED O=C(C[C@H]1CCC(F)(F)C1)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 797811333 DZOPNGCDIHQRSM-SNVBAGLBSA-N 435.311 5.333 30 20 IKED COc1cc(/C=C/C(=O)c2cnn(C3CCCC3)c2)cc(Br)c1OC(F)F 799897461 UTDAAZNJDHOCTM-VOTSOKGWSA-N 441.272 5.267 30 20 IKED Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)cc12 811613042 QNMMFDIUODXBKG-UHFFFAOYSA-N 446.470 5.040 30 20 IKED Cc1cc(Br)ccc1SCC(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813212537 DMCJHRFDOMALRN-CYBMUJFWSA-N 429.261 5.140 30 20 IKED COc1cc(C(C)=NNc2nc(Cl)c(Cl)cc2Cl)ccc1OCCCC(=O)O 814741311 VYEALDMEQXGVNG-UHFFFAOYSA-N 446.718 5.130 30 20 IKED CCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OC)cc1 916214238 LPYBMBZJBHCCEB-NRFANRHFSA-N 439.581 5.072 30 20 IKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1C1CCCC1 916215838 KZDXQZHERLIXFS-HXUWFJFHSA-N 443.519 5.176 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCn1c2ccccc2c2ccccc21 916905408 CAZDPTNBLDLJBA-HSZRJFAPSA-N 437.543 5.657 30 20 IKED CC(C)(C)n1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1C1CC1 916905898 OCHGUQMFQYCMMN-LJQANCHMSA-N 442.519 5.269 30 20 IKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C 916935272 ZZEKKUVHZPNWRQ-QFIPXVFZSA-N 429.520 5.187 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 917342382 XHXDAIFXZOCGDC-UHFFFAOYSA-N 434.883 5.065 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(=Nc2cccc(C(C)C)c2)NC1=O 917636176 RAXZBHMVVMQYPH-LJQANCHMSA-N 445.972 5.028 30 20 IKED CNC(=O)C[C@@H]1SC(=Nc2cccc(C(C)C)c2)N([C@@H](c2ccccc2)C2CC2)C1=O 917708190 GJFPBPZFVGSJPF-GMAHTHKFSA-N 435.593 5.029 30 20 IKED CN(CCCOc1cccc(Cl)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 918035766 KBJOHAVQLBOYCY-XMMPIXPASA-N 433.939 5.928 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ncc(-c4ccccc4F)o3)n2)cc1 920142336 VCARTKSVQXSQQK-SFHVURJKSA-N 442.475 5.285 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cncc(C(F)(F)F)c3)cc2)CCC1 1789877493 FOPONQBRDWCINZ-HNNXBMFYSA-N 431.458 5.060 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3cc(F)cc(F)c3)CCC2)cc1 1791587353 OYEIGWYUHFEQAR-UHFFFAOYSA-N 447.485 5.351 30 20 IKED CCC[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@H](C)C#N)c2)C3)CC1 1801813590 VHMYYIUDGVFCPZ-YAVBNHEZSA-N 435.612 5.172 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)[nH]n1 1819556588 GNBLZCYMVXMUIY-XODKDNOYSA-N 426.605 5.221 30 20 IKED CC1(C)CCC(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)CC1 1820978544 MBVRRZAEMDYMDH-QFIPXVFZSA-N 447.583 5.194 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccoc3s2)CC1 1824141018 DFXURVXZTGAKGS-OAQYLSRUSA-N 440.609 5.496 30 20 IKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)Sc2cccs2)CC1 1828779304 ONSHLRUJADSUGM-CTNGQTDRSA-N 446.682 5.042 30 20 IKED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)CCCCCC(C)(C)C)CC2)CC1 1838768125 KUEXXQBVKAKCHT-UHFFFAOYSA-N 446.676 5.175 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2ccccc2)nnc1-c1ccc(Cl)cc1 21333670 HMGUVFINSLRRQK-INIZCTEOSA-N 426.973 5.096 30 20 IKED CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 60957966 SLQKFMDOWYOCDD-UHFFFAOYSA-N 446.572 5.530 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 107831585 QNVQSSCXUDWLMY-UHFFFAOYSA-N 433.430 5.334 30 20 IKED C[C@@H](Nc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1)c1ccccc1 109153114 IHAPCGZKRDAUMI-LJQANCHMSA-N 437.499 6.156 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(F)cc2)ccc1OCC(=O)N(C(C)C)C(C)C 210426847 BEHSZGZFSPRBHZ-QPEQYQDCSA-N 427.516 5.145 30 20 IKED COc1cc(C=NOCC(=O)Nc2c(C(C)C)cccc2C(C)C)ccc1OC(F)F 254941856 DMSONGYEYRWXCD-UHFFFAOYSA-N 434.483 5.533 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2ccc(OC)c(Cl)c2)nnc1-c1ccccc1OC 428072607 UNVWNDUHSNGPMR-CQSZACIVSA-N 443.956 5.165 30 20 IKED Cc1ccc(Sc2ccc(C(=O)[C@H](C#N)c3nc4c(C)ccnc4[nH]3)cc2[N+](=O)[O-])cc1 429566051 JGJZPPLHINAYEN-KRWDZBQOSA-N 443.488 5.124 30 20 IKED Cc1c(C#N)cccc1NC(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1 431849885 GJZAWEUZRFAZCL-UHFFFAOYSA-N 448.320 5.063 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cncc(-c4ccc5c(c4)CCO5)c3)n2)cc1 432454229 FCJZPYHDYQQZCU-QFIPXVFZSA-N 448.507 5.169 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2Br)cc1 432770159 RKKAHHRPDJWLEL-UHFFFAOYSA-N 442.235 5.028 30 20 IKED N#Cc1ccsc1N1CC[C@@H](Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)C1=O 433698068 STEIPEOJYXDRSG-MRXNPFEDSA-N 444.438 5.043 30 20 IKED CC(C)Oc1ccc(Br)cc1NCc1cn(CCC#N)nc1-c1ccncc1 435128175 ZPWBMLIQDIZZIQ-UHFFFAOYSA-N 440.345 5.021 30 20 IKED O=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)N[C@H](c1c(F)cccc1F)C(F)(F)F 436388381 NUHHYCSKUGBEPK-AKWBHNSASA-N 436.327 5.025 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cc1F 437474407 NUZZUQFMCZWRSE-MOPGFXCFSA-N 430.435 5.003 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccccc1COCc1ccccc1 437777337 PLXJWVKQQQQEBQ-AZGAKELHSA-N 425.532 5.707 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2cc(-c3ccccc3)on2)cc1F 438653933 GNJVYVJCWBRDQR-UHFFFAOYSA-N 428.423 5.466 30 20 IKED CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(C(F)(F)F)cc1Cl 439112847 CWWWTRDUFNMHHX-UHFFFAOYSA-N 431.801 5.694 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)c1 439347255 OQDZWIIGQINMAA-UHFFFAOYSA-N 437.883 5.059 30 20 IKED CCCc1c(NC(=O)CCc2nc(C)c(-c3ccccc3)o2)cnn1-c1cccc(C#N)c1 440068142 GDYOSUWGQONNCG-UHFFFAOYSA-N 439.519 5.231 30 20 IKED N#Cc1cccc(OCCCCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 440605366 LHCZEGADBDJTGI-UHFFFAOYSA-N 429.476 5.249 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(NC(=O)CC(C)C)c(C)c3)n2)cc1 442670031 CRKQRWVCDMPMAB-HXUWFJFHSA-N 431.561 5.902 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CCCC(=O)c2ccc(Br)cc2)cc1 446094677 LPCSKHREYUCGHO-UHFFFAOYSA-N 443.341 5.148 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cc(F)ccc1SCC(F)F 446518789 RIIKNYOMZZMPFR-UHFFFAOYSA-N 448.919 5.051 30 20 IKED C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1c1ccc(Br)s1 460786478 JZLPVKLGERRAOI-MRXNPFEDSA-N 444.402 5.006 30 20 IKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)[C@H](C)c1cccc(C#N)c1 461722792 HKHHYRZCXGCLBL-GOSISDBHSA-N 434.561 5.360 30 20 IKED C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)[C@@H]1c1cccc(F)c1 461811411 LKOHGCQOAFWTEL-QFWMQHCXSA-N 445.542 5.112 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)ccc21 464951749 KOFROVPCXQYGLE-QUCCMNQESA-N 440.469 5.548 30 20 IKED C[C@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)Oc1ccccc1F 466164119 INJUHSBSELRISW-GOSISDBHSA-N 433.483 5.060 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC[C@H](Cc2csc3ccccc23)C1 468720591 SMNMYCQOTBBMKA-LJQANCHMSA-N 445.588 5.363 30 20 IKED CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)C(=O)CCc1c(C)nn(CCC#N)c1C 471306219 HOJZVUSBXAGBHR-XMMPIXPASA-N 429.008 5.636 30 20 IKED N#Cc1cccc(-c2nnc(CN[C@H](c3ccccc3)c3ccc(Br)cc3)o2)c1 471616130 BTMMQSNVVTWIPS-JOCHJYFZSA-N 445.320 5.250 30 20 IKED C=CCn1c(SCC[C@H](C)OCc2ccccc2)nnc1[C@@H]1COc2ccccc2O1 473412783 QKKNNUOTYGUAKM-AVRDEDQJSA-N 437.565 5.064 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)c3ccccc3Br)o2)cc1 473795348 QVSZMMLGNSRHKF-CYBMUJFWSA-N 445.338 5.427 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F 473826077 DHIHYRXKHYGBBL-UHFFFAOYSA-N 444.429 5.405 30 20 IKED CC(C)(C)N(Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1Br 474161298 YOAVXPPEFLISQB-UHFFFAOYSA-N 425.330 5.171 30 20 IKED COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(OC(F)F)c1 475022658 KDGODJFJUBJHQQ-HNNXBMFYSA-N 434.851 5.564 30 20 IKED CCCNc1ccc(C#N)cc1NC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 476532464 ARNMDBYYFSBPRV-UHFFFAOYSA-N 438.890 5.075 30 20 IKED CCOc1ccc(CN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C(C)C)cc1 479183322 GEBQQGRWDWJWTP-UHFFFAOYSA-N 435.568 5.267 30 20 IKED C=C(C)Cn1c(SCC(=O)NC2CCC(c3ccccc3)CC2)nnc1-c1ccco1 480223240 JZJSKXLLQQMHDR-UHFFFAOYSA-N 436.581 5.049 30 20 IKED Cc1nc(-c2ccc(S(=O)(=O)Nc3ccccc3SC[C@@H](C)C#N)s2)cs1 481624433 URENPOYBXJERIM-LBPRGKRZSA-N 435.621 5.233 30 20 IKED N#Cc1ccc(CN(C(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)C2CC2)cc1 482403941 UTFNZDMLRVELBY-SFHVURJKSA-N 441.375 5.555 30 20 IKED C=CCN(CC1CCCCC1)C(=O)[C@@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 482779719 WRLKQATWFZNKHK-MRXNPFEDSA-N 433.643 5.230 30 20 IKED Cc1nc2ccc(Br)cn2c1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 483483276 FLYOVWUDEKVISH-OAHLLOKOSA-N 437.322 5.019 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCCC(=O)Nc1ccccc1C 488034608 UNDHXVFKDXFGAF-UHFFFAOYSA-N 442.972 5.126 30 20 IKED COc1ccc(CSc2nnc(SCc3ccccc3C(C)(C)C#N)s2)cc1 488546583 REGLAGWVDZASQE-UHFFFAOYSA-N 427.620 5.932 30 20 IKED Cn1ccnc1-c1csc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)n1 488961553 AFOGJLAUBBJQTB-UHFFFAOYSA-N 435.896 5.113 30 20 IKED N#Cc1cc(F)c(C(=O)Nc2c(Oc3ccc(Cl)cc3)ccc3ncccc23)c(F)c1 490360422 CRTZNAVHIKTSJU-UHFFFAOYSA-N 435.817 6.083 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 494040259 WZPJKCLPUNEUKW-CQSZACIVSA-N 442.441 5.468 30 20 IKED Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 507938858 PESQJBQWVYKMAV-UHFFFAOYSA-N 439.471 5.787 30 20 IKED CCN(C(=O)NCc1cccc(C#N)c1)[C@@H]1CCSc2ccc(Br)cc21 508141026 CWMAZUYOWGBKMP-GOSISDBHSA-N 430.371 5.089 30 20 IKED C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(OC2CCC(C)CC2)CC1 508490521 QNPLRDIMBYJTCL-GPJFCIFZSA-N 442.579 5.307 30 20 IKED C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(F)(c2cccc(OC)c2)CC1 508818948 VNSXHIXQNBDMDJ-UHFFFAOYSA-N 445.542 5.010 30 20 IKED C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCC(c2ccnn2CC)CC1 508862998 HAWOAZFXISYRHC-UHFFFAOYSA-N 431.371 5.038 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 509833809 HAULBCQNNWITDF-KRWDZBQOSA-N 431.989 5.169 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2ccc(Br)s2)cc1 510083552 HNBIGKLMCCWXOS-UHFFFAOYSA-N 441.350 5.337 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 510122687 AINBIGOBKOAMJC-CXAGYDPISA-N 425.451 5.893 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(NC(=O)C2CC2)cc1 510599524 PQDZZTKSQYNCHA-KRWDZBQOSA-N 440.503 5.582 30 20 IKED Cc1cc(C)n(-c2ccc(C(=O)N(Cc3cccc(C#N)c3)c3ccc(F)cc3C)cn2)n1 514807753 HKKKVZQHFLVQJY-UHFFFAOYSA-N 439.494 5.050 30 20 IKED CCC[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 515914433 HHTXFHDXQQHGSI-ISKFKSNPSA-N 445.950 5.592 30 20 IKED C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)Nc1sc2c(c1C#N)CCCCC2 518147810 JVTHVYPXLPNQKM-CVEARBPZSA-N 438.622 5.580 30 20 IKED Cc1nc(NC(=O)[C@@H](Sc2ccc(F)cc2F)c2ccccc2)sc1SCC#N 518494748 YDEKZETVQWHPKI-KRWDZBQOSA-N 447.557 5.818 30 20 IKED Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)CCCCOc1cccc(C#N)c1 518906861 YVDUCCOPNIPFTR-HXUWFJFHSA-N 433.552 5.069 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)cc2)cc1 519977355 GDCIDKJYNCKFOF-UHFFFAOYSA-N 433.467 5.855 30 20 IKED C=CCOc1ccccc1CNC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 520337234 IVEUZMHGYOKOHA-UHFFFAOYSA-N 440.952 5.457 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H](Cc3ccccc3)C2)cc1 520697812 UTVSRWQFGHONLE-XMMPIXPASA-N 439.559 5.818 30 20 IKED N#Cc1ccc([C@@H](Nc2ccc(Oc3ccccc3C(F)(F)F)c(F)c2)C(N)=O)cc1 522374038 DQFCYNILMLQDQK-HXUWFJFHSA-N 429.373 5.147 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)N[C@@H](c1ccccc1)C(F)(F)F 522427128 ZGSFYZUXBQSVFX-ZDUSSCGKSA-N 426.288 5.315 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(OC(F)F)c3ncccc23)c1 522569730 ZXRLHUUHMVIWLZ-UHFFFAOYSA-N 435.386 5.132 30 20 IKED C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 523455883 FPRUNSGBUWMOFS-INIZCTEOSA-N 433.458 5.567 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCCc2ccc(Cl)c(Cl)c2)c1C 523533008 LMRJQDRWQGFSIO-UHFFFAOYSA-N 427.335 5.629 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)c1 523891071 GIZHDIGQANDINM-UHFFFAOYSA-N 449.869 5.522 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)NC(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1 525079042 IDXCOWXJBHPBFZ-LJQANCHMSA-N 445.588 5.524 30 20 IKED COc1ccccc1[C@@H]1CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C1 534887352 NGQWSSGSTZFOEP-LJQANCHMSA-N 432.907 5.642 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)nn1-c1ccccc1Cl 538484827 VHIOOAVRSWHNAC-CYBMUJFWSA-N 425.826 5.069 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCCOc3cc(F)ccc32)cc1 538614073 BHMJXVWUWPBDIQ-XMMPIXPASA-N 445.494 5.506 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)cs1 538727767 VOUUYUIYCSFKBR-RPWUZVMVSA-N 430.577 5.408 30 20 IKED N#CC1(CCCSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)CCOCC1 540768430 ISTLZCJLQDYBHD-UHFFFAOYSA-N 442.972 5.432 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ncc(-c4ccccc4)[nH]3)c2)cc1 541088339 ANIXAWWBNMRJRS-UHFFFAOYSA-N 437.503 5.043 30 20 IKED N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)n1 541924814 MFMXWVDRUWWYSO-JOCHJYFZSA-N 428.471 5.123 30 20 IKED CCSc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 542066176 WHJIXTHTSHHUHV-QGZVFWFLSA-N 429.545 5.153 30 20 IKED N#Cc1ccc(CN(C(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)C2CC2)cc1 543349455 LYDLUCDCPFTZAF-JOCHJYFZSA-N 446.551 5.572 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCc2c[nH]c3cc(F)ccc23)cc1 548988238 YKRVJVGCZYFPTE-UHFFFAOYSA-N 444.485 5.272 30 20 IKED C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(C(F)(F)F)CC1 549638007 FLGCOMZCOSXDGE-UHFFFAOYSA-N 438.494 5.096 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 553117481 GDTBDWSCLFUCOS-UHFFFAOYSA-N 448.542 5.382 30 20 IKED Cn1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c(-c2ccccc2Cl)n1 553258739 FNISAKUCWGWXOB-ZDUSSCGKSA-N 427.316 5.494 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(-c2cccnc2)cc1 565689590 IDPDTBIWYKBFIR-GOSISDBHSA-N 435.487 5.690 30 20 IKED Cc1cccc(Cc2cnc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)s2)c1Cl 570233910 AVOKAOJCEOGNDO-UHFFFAOYSA-N 436.846 5.234 30 20 IKED C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 574354313 RATPRTCWZQVNSS-KRWDZBQOSA-N 442.523 5.208 30 20 IKED C=CCOc1ccc(CNC(=O)Nc2ccc(OC)c(NC(=O)C3CCCCC3)c2)cc1 574935337 ZQVFUMOKUJUJLK-UHFFFAOYSA-N 437.540 5.101 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC(c4c[nH]c5ncccc45)CC3)cc2)ccn1 575371693 XCDCZHCOKMCPBS-UHFFFAOYSA-N 438.491 5.033 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccc(-c3ccncc3)c(C)c2)nnc1-c1ccco1 582318046 WKTHVOCYEDKBQP-UHFFFAOYSA-N 445.548 5.215 30 20 IKED Cc1nc(CSc2ccc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)cc2)cs1 591589389 NXQZNENWJSIQTA-CYBMUJFWSA-N 439.631 6.054 30 20 IKED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(I)cc1Cl 603655284 BSNHMYJUCRWFPQ-UHFFFAOYSA-N 426.685 5.165 30 20 IKED N#Cc1ccc(CCC(=O)N(Cc2cccs2)c2ccc(Br)cc2)cc1 603975982 VHVPKJDSLIYYLU-UHFFFAOYSA-N 425.351 5.548 30 20 IKED Cc1cc(F)ccc1-c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1F 605075227 VKFUYWDTDOBMIL-FQEVSTJZSA-N 431.467 5.949 30 20 IKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(N2CCCC2=O)ccc1F 607440504 IYXAQIJJYCSMME-UHFFFAOYSA-N 434.311 5.242 30 20 IKED Cc1c(Br)cccc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 608552866 HVZSCUAWKVTFDR-LBPRGKRZSA-N 439.256 5.876 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)c1nc2cc(F)ccc2s1 608553026 KOMWUHBERVXQIV-HNNXBMFYSA-N 426.394 6.010 30 20 IKED COc1ccccc1SC[C@@H](C)CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 609147571 KLMGDXURYOQJOF-KRWDZBQOSA-N 448.548 5.304 30 20 IKED CCOc1ccc(CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C(C)C)cc1 609147594 ODOGHACVLFEWMJ-UHFFFAOYSA-N 430.508 5.587 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)Cn1c(Cc2ccccc2)nc2ccccc21 609369574 DOASVMCSYZZTHS-LJQANCHMSA-N 440.572 5.518 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(OCc2ccccn2)c1 609398012 BAXLIWIIWGZNNE-SFHVURJKSA-N 432.549 5.234 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 609403091 SAMMAQZGMWPLFJ-BTYIYWSLSA-N 442.009 6.564 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](COc1ccccc1F)c1ccccc1 609434833 UCRCJRHRJZKSEN-PGRDOPGGSA-N 449.551 6.162 30 20 IKED Cc1cccc(C)c1Oc1ccccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 609460157 GJLQIVFJBRJZTD-UHFFFAOYSA-N 441.531 5.761 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCc4ccc(O)cc4CC3)cc2Cl)c1 609929312 NTVNBHQEHPLUPZ-UHFFFAOYSA-N 447.922 5.129 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 610095257 MEOJVXSVRACIRN-NVXWUHKLSA-N 428.533 5.455 30 20 IKED C[C@H](NC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc(C#N)c1 610407986 BASCLUYASHYOTO-FQEVSTJZSA-N 435.531 5.314 30 20 IKED Cn1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(Cl)c2ccccc21 613404989 SAQAXSXBHFXQAS-LBPRGKRZSA-N 433.842 5.950 30 20 IKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)NCc2ccc(C#N)c(Cl)c2)cc1 619765980 MFMYUJUAVBODME-UHFFFAOYSA-N 449.963 5.181 30 20 IKED C=CCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 669818292 NYHHWFOITTUSEP-OAGGEKHMSA-N 432.412 5.183 30 20 IKED O=C(N[C@@H](c1ccccc1F)C1CCCC1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674892366 VOLWWHBKLHAILJ-IJEWVQPXSA-N 426.376 5.439 30 20 IKED O=C(Nc1ccc(F)cc1OC1CCCC1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 676276902 XPIUJTXAJZUNCT-BETUJISGSA-N 428.348 5.352 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)c1nc(-c2ccccc2)cs1 726322408 UELDQNLKGNDFBD-KRWDZBQOSA-N 445.525 5.081 30 20 IKED N#CCOc1cccc(/C=C2/SC(=S)N(CCc3ccc(Cl)cc3Cl)C2=O)c1 726627258 POANDFRRPHKQRC-WOJGMQOQSA-N 449.384 5.340 30 20 IKED O=[N+]([O-])c1ccc(NN=Cc2cn(Cc3ccccc3)nc2-c2cccnc2)c(Cl)c1 727649731 LXFMACNXDJTROK-UHFFFAOYSA-N 432.871 5.001 30 20 IKED Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)o2)cc1 730375089 DGAYDFCQCSAZFT-MRXNPFEDSA-N 443.434 5.766 30 20 IKED C[C@@H](OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nnc(-c2cccs2)o1 730375510 IUNKBKGBXULKIA-CYBMUJFWSA-N 435.436 5.519 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)n1 730397456 ULLAQAXCXYBEDC-FXAWDEMLSA-N 440.521 5.169 30 20 IKED CCOc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)cs2)cc1 730421269 JOIKFNDWBRDAHU-QGZVFWFLSA-N 437.521 5.377 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 731105950 RIAKTLVDXUKXHO-RUZDIDTESA-N 445.494 5.467 30 20 IKED COc1ccc(CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)[C@@H](C)C2CC2)cc1 731280305 IWWIBKUMRHGVFJ-DCFHFQCYSA-N 439.559 6.183 30 20 IKED Cc1nc(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)[nH]c1Cc1ccccc1 731938131 BUNQPTQUFYZEMI-LJQANCHMSA-N 444.585 5.401 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnn(-c3ccccc3Cl)c2C)cc1 732707572 AFXQCENYCUOEQO-KXBFYZLASA-N 434.927 5.309 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(Cl)nc(N2CCCC2)c1 732937829 XZLVDJHOAONQPV-UHFFFAOYSA-N 432.911 5.560 30 20 IKED C#CCN(C(=S)Nc1cc(C)ccc1F)[C@@H]1CCOc2ccc(Br)cc21 733087650 VNLBRXDXMRHTCL-GOSISDBHSA-N 433.346 5.052 30 20 IKED COc1cc(COC(=O)c2sccc2OC(F)F)ccc1OCc1cccc(C#N)c1 735142765 VTMPVOCGAOSDEJ-UHFFFAOYSA-N 445.443 5.166 30 20 IKED N#CCOc1ccc(Cl)cc1COc1cccc(C(=O)N2CCc3ccccc3C2)c1 735302582 AJKCFGKFEBJQKW-UHFFFAOYSA-N 432.907 5.020 30 20 IKED CCOC(=O)/C=C/c1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 740435947 XQIZOMZECQDYOU-MDWZMJQESA-N 431.517 5.185 30 20 IKED COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3cccc(-c4ccncc4)c3)c2)cc1 741470196 QVQPUZDZOAUIAG-JYRVWZFOSA-N 434.495 5.906 30 20 IKED COC(=O)c1ccc(COc2ccc(/C=C3/Cc4cc(Cl)ccc4C3=O)cc2OC)o1 742437324 LLAFNABFPFEOHB-SXGWCWSVSA-N 438.863 5.130 30 20 IKED CC(C)c1nn(C)c2sc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc12 744034025 YFNXMIICTNPSBJ-AWEZNQCLSA-N 435.336 5.026 30 20 IKED CC(C)c1nnc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)o1 747109350 PIKGCAYPUNKQTK-CYBMUJFWSA-N 435.336 5.432 30 20 IKED C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 747258793 MAAQKJVYRMDTCV-CYBMUJFWSA-N 441.380 5.016 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2Cc3ccccc3-c3ccccc3C2)cc1C#N 752298610 DTPPWQHDOXVTPH-UHFFFAOYSA-N 426.476 5.341 30 20 IKED Cc1sc([C@@H](C)NCc2cc(Cl)ccc2OCC#N)nc1-c1ccc(Cl)cc1 754949214 BDUZNLNWNFQGCT-CYBMUJFWSA-N 432.376 6.179 30 20 IKED Cc1cccc(Cl)c1NC(=O)CNc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 756863720 LUKYGJCMBDTMBA-UHFFFAOYSA-N 440.330 5.803 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1Br 757411766 YZZFRNXTPMBSTF-AWEZNQCLSA-N 439.281 5.033 30 20 IKED CC(C)(C)OC(=O)N1CCc2cccc(/C=C\C(=O)c3ccc(N4CCCC4=O)cc3)c21 757530501 UNPNUIWDHNXKHO-KAMYIIQDSA-N 432.520 5.007 30 20 IKED CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)c1 764306983 NZYVSFUISRESSO-UHFFFAOYSA-N 449.294 5.400 30 20 IKED COc1ccc(-c2nc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cs2)cc1 764750099 LEYMHEOPHITFCY-UHFFFAOYSA-N 449.319 5.147 30 20 IKED N#CC1(CS(=O)(=O)Oc2ccc(Sc3ccnc4cc(Cl)ccc34)cc2)CC1 766060500 YHAYZFZRPGJMJZ-UHFFFAOYSA-N 430.938 5.052 30 20 IKED C[C@@H](C#N)Oc1ccc(CNc2ccc(CC(=O)N3CCCc4ccccc43)cc2)cc1 770549008 CHWALSDMYOQHDG-FQEVSTJZSA-N 425.532 5.111 30 20 IKED O=C(O[C@@H](c1cc(Br)ccc1F)C(F)(F)F)c1ncccc1C(F)(F)F 770749179 ICRYBIWKGDJUSH-LBPRGKRZSA-N 446.116 5.462 30 20 IKED Cc1cncc(/C=C/C(=O)C(c2nc3ccccc3s2)c2nc3ccccc3s2)c1 772550208 XRFQKTVCDLHPDF-ZHACJKMWSA-N 427.554 6.024 30 20 IKED COc1ccc(NC(=O)[C@@H](OC(=O)/C=C\c2ccccc2C#N)c2ccccc2)cc1Cl 775062973 HWDNJRAQQHVMDA-WCQSIDKYSA-N 446.890 5.157 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 780154422 RWXBYEOZXDDTAI-OYHNWAKOSA-N 441.314 6.043 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2nc(-c3ccc(Cl)c(Cl)c3)oc2C)c1 781762175 OZJXWPYFQPQWSC-OAHLLOKOSA-N 428.275 5.226 30 20 IKED C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 790921528 OKABCXDOKYCABM-JOCHJYFZSA-N 448.460 5.157 30 20 IKED N#Cc1cccc(-c2nnc(CN[C@@H](c3c[nH]c4ccccc34)C(Cl)(Cl)Cl)o2)c1 796468415 CUHQMACEXJFSGT-SFHVURJKSA-N 446.725 5.291 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)s1 797573678 UWTIXHAHPHHPCC-WOJBJXKFSA-N 430.529 5.385 30 20 IKED COc1cc(/C=C\C(=O)c2ccccc2C#N)ccc1OCC(=O)Nc1ccccc1Cl 799498451 JZXPCURURFRTEW-BENRWUELSA-N 446.890 5.134 30 20 IKED CCCc1c(NC(=O)c2cc(C(F)(F)F)cc(Cl)n2)cnn1-c1cccc(C#N)c1 811337120 HRKIZSAGKQCMKK-UHFFFAOYSA-N 433.821 5.016 30 20 IKED COCO[C@H](C)c1cc(F)c(CNc2ccc(Cl)c(C#N)c2)cc1Br 863994853 LBKJAXYBECNIGA-LLVKDONJSA-N 427.701 5.407 30 20 IKED Cc1nc2c(cnn2C(C)C)cc1C(=O)OCCC(C#N)(c1ccccc1)c1ccccc1 914888129 SNTXQWVYWDDSHB-UHFFFAOYSA-N 438.531 5.377 30 20 IKED Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915085569 NSRPCLABHYLPOO-DEOSSOPVSA-N 437.547 5.120 30 20 IKED CN(C)[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1Cl 915353422 SZBPPLOUHSUMST-UPVQGACJSA-N 432.955 5.420 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(OCc3ccccn3)cc2)cc1 916681741 XVTVSWDSIMNZRU-HHHXNRCGSA-N 448.526 5.638 30 20 IKED N#C[C@@H](C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)c1ccc2ccccc2n1 916848891 QDOUOPADUJPMQJ-HSZRJFAPSA-N 433.486 6.331 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc(Cl)cc2)s1 916910585 XWGVHWDZZCVOIT-LJQANCHMSA-N 436.964 6.154 30 20 IKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C 916931320 PVSIGWGOIKKUDY-QFIPXVFZSA-N 429.520 5.187 30 20 IKED COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3)n2)c2ccccc12 917559219 GDYKEAJMIGPXPX-UKTHLTGXSA-N 446.503 6.025 30 20 IKED CC(C)(C)c1ccc(SCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 920141520 PUMXZKVTSQOGDV-FQEVSTJZSA-N 431.586 5.948 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1C 920851919 SBLRYADUAAAZNU-UHFFFAOYSA-N 435.531 6.077 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(Cl)s3)CCC2)cc1 1786364799 QIWSRUQAPHOQHG-UHFFFAOYSA-N 447.000 5.061 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cn(C)c4ncccc34)cc2)CCC1 1789398193 QIZMEPUOZQUHFH-NRFANRHFSA-N 442.563 5.089 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@@H]4c4ccccc4)CCC3)cc2)cc1 1790708721 PKEVIHUNUZJMOW-CLJLJLNGSA-N 449.554 5.304 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OCC4CC4)c(F)c3)CCC2)cc1 1791584436 CNPWZJVYCOYFCI-UHFFFAOYSA-N 448.538 5.166 30 20 IKED COC1(CC(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)CCC1 1792124424 XTGMXCGKIOAOPA-LJQANCHMSA-N 445.563 5.021 30 20 IKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)ccn1 1792124637 CLXWIYHKCBVBNP-GOSISDBHSA-N 438.531 5.079 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(C)cccc3[nH]2)n[nH]1 1819054838 ITKMCHKPZXYJNU-QFIPXVFZSA-N 447.583 5.498 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(C)ccc3[nH]2)[nH]n1 1819305471 KEBYCOFBZATOCP-WMZHIEFXSA-N 445.567 5.274 30 20 IKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1 1824538140 NSMYWZJDMRLTFP-IPKGGZNWSA-N 448.717 5.167 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)CC1 1828356443 HEPCSUMOWSNCEK-LPYADNKSSA-N 434.580 5.278 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2oc3ccccc3c2C)CC1 1828828230 FTRYLCCWSFNDSX-LADGPHEKSA-N 448.607 5.743 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3[nH]c(C)cc3c2)CC1 1831032711 FYBNSYQTWAOCEE-SANMLTNESA-N 447.623 5.478 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H](C)c2ccccc2)CC1 1831507070 MXVGJCRJXYEDLR-RCXJIHSJSA-N 436.640 5.568 30 20 IKED Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(C)o1 1832634112 HTNPERGQTYKWPV-BVZFJXPGSA-N 447.579 5.071 30 20 IKED N#CCCN(C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccccc1 10015220 WNAFMVCDNKYCRY-UHFFFAOYSA-N 435.553 5.082 30 20 IKED C=CCSC1=N/C(=C\c2ccc(O)c(OCC)c2)C(=O)N1c1ccc(OC(F)F)cc1 18420446 WXMZMXVPLOFRMW-ATVHPVEESA-N 446.475 5.055 30 20 IKED O=C1N/C(=N/C2CCCC2)S/C1=C\c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 20987567 KGUQGYDMQZJUOT-UNOMPAQXSA-N 443.912 5.543 30 20 IKED C[C@@H](NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(C#N)cc1 61552971 GHZRPIAYSBKZEY-GOSISDBHSA-N 439.494 5.110 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 63394681 WEEXMWIKKRXWPN-UHFFFAOYSA-N 428.448 5.479 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1 63576135 HVUHTSPFRAZGNE-UHFFFAOYSA-N 430.470 5.064 30 20 IKED N#Cc1cc2c(nc1SCc1nc3scc(-c4ccccc4)c3c(=O)[nH]1)CCCC2 96994915 BYUUQSQYCQCDRY-UHFFFAOYSA-N 430.558 5.089 30 20 IKED N#Cc1cc(NC(=O)c2ccccc2SCc2cccs2)ccc1OCC(F)(F)F 107589499 DPMOOZRHIPRPNL-UHFFFAOYSA-N 448.491 6.105 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)nnc1-c1ccccc1F 195569200 UOJWZSBBKCODHD-ZDUSSCGKSA-N 446.935 5.052 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2oc3ccccc3c2C)cs1)c1ccc(F)cc1F 211968344 OHEBYGRNYWIBPW-NTMALXAHSA-N 438.455 6.057 30 20 IKED C[C@@H]1CSc2ccc(Br)cc2[C@H]1NCc1cccc(OCCCC#N)c1 237542579 PXKPYYDKJBLBNB-VFNWGFHPSA-N 431.399 5.704 30 20 IKED C[C@H](Nc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1[N+](=O)[O-])c1ccccn1 302999202 MPUBCHLXWWAMKM-INIZCTEOSA-N 429.480 5.216 30 20 IKED CCCN(C(=O)c1cccc(COc2ccccc2C#N)c1)[C@@H](C)C(=O)Nc1ccccc1 303557563 KRHHJXNUXRNQLC-FQEVSTJZSA-N 441.531 5.017 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2c(Cl)nc3ccccn23)cs1 303916052 VEWQSCGAVTVFEB-JXMROGBWSA-N 440.887 5.164 30 20 IKED Cc1csc(Sc2ccc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)cc2)n1 428252104 FAOFFLNVIVYKRA-UHFFFAOYSA-N 445.573 5.632 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(Br)cn1 432064553 UJLDTIGDQDNBAI-AWEZNQCLSA-N 437.297 5.391 30 20 IKED N#CCCC[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccccc1 432918067 RCTWOPPFJHMZDZ-DEOSSOPVSA-N 437.503 5.367 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H]2CCCN2C2CCCCC2)cc1 436353618 SSKDTQCEDRBBPY-DEOSSOPVSA-N 446.595 5.250 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 437772618 JLBWLBNYQJOPDT-RDJZCZTQSA-N 437.393 5.193 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CC[C@H](COCc4ccccc4)C3)c2)cc1 438028980 HOLZCBSRKDGPQK-QFIPXVFZSA-N 427.504 5.421 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)cc1F 438665224 CRVKIAKQDOFQFJ-FQEVSTJZSA-N 445.450 5.587 30 20 IKED CN(C)c1cccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 438666854 AFSNGWFHRAHBQC-HSZRJFAPSA-N 444.510 5.925 30 20 IKED CC(C)(C)Oc1ccc(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 438781385 VKTFQPRVFAVALD-UHFFFAOYSA-N 429.476 5.105 30 20 IKED CCCc1c(NC(=O)Nc2ccc(OC)cc2C(F)(F)F)cnn1-c1cccc(C#N)c1 439240124 VUWNWPQYBZMTAW-UHFFFAOYSA-N 443.429 5.368 30 20 IKED COc1ccc2c(c1)CCN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)cc1C)CC2 439248589 QFEGLWFFQMYNEJ-UHFFFAOYSA-N 441.531 5.087 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1 442088188 QGCVPMNJLNILAI-QGZVFWFLSA-N 445.544 5.387 30 20 IKED CC(C)(C)Cc1nc(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc2)no1 442671895 NXXGYQRJICFFEB-IBGZPJMESA-N 442.544 5.939 30 20 IKED CCCn1ncnc1CN[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 447891085 PAAKPORUILMBPR-ZDUSSCGKSA-N 434.306 5.119 30 20 IKED COc1ccc([C@@H](Cc2ccccc2C)NC(=O)[C@H](C)c2cccc(C#N)c2)cc1OC 461992126 RGXSGPUVBMINQW-NTKDMRAZSA-N 428.532 5.088 30 20 IKED C[C@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccc(Br)s1 463135497 BUKPXKCJCCTISX-NSHDSACASA-N 432.368 5.172 30 20 IKED CCO[C@H](C)c1ncc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1 463397526 ZUSWFCHOCWEGSV-RDTXWAMCSA-N 425.941 5.802 30 20 IKED COC(C)(C)c1nc(C)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1 463586719 CKTQALIZZMXAFL-SFHVURJKSA-N 439.968 5.894 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N(C)[C@H](C)c1sc(-c2ccccc2)nc1C 469222321 FJAQKNRZSCMISA-GOSISDBHSA-N 449.576 5.377 30 20 IKED CN(Cc1cccc(Cl)c1Cl)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470546467 LZXQKWFMEXYQEG-UHFFFAOYSA-N 445.350 5.240 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN(CCc1ccccc1)c1ccc(O)cc1 471175629 DUUAKTFFWULUGG-HXUWFJFHSA-N 445.588 5.332 30 20 IKED CSc1cc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)c(Cl)cc1Cl 471406525 UJMFFQYHVRXJDF-CQSZACIVSA-N 430.154 5.472 30 20 IKED COc1ccc([C@H](NCc2nnc(-c3cccc(C#N)c3)o2)c2ccccc2Cl)c(C)c1 471668598 RLSIEAUTROGURK-DEOSSOPVSA-N 444.922 5.458 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 475583076 VPQDMNKKDGCNNI-ISKFKSNPSA-N 442.003 5.385 30 20 IKED CCCc1c(NC(=O)c2c(-c3ccccc3C)noc2C)cnn1-c1cccc(C#N)c1 476934532 VORKUCJJCNWDIZ-UHFFFAOYSA-N 425.492 5.221 30 20 IKED CCOCc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 481620273 FWTXZXUYISNKPJ-UHFFFAOYSA-N 433.483 5.135 30 20 IKED C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481746252 VBRYREPXAHTGLZ-OAHLLOKOSA-N 439.437 5.779 30 20 IKED C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 483329127 CSIXKHQXSNLSGV-QINHECLXSA-N 447.526 6.715 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(C3CCCC3)CC2)cc1Cl 483474494 WISSRONOCGRVOR-QHCPKHFHSA-N 436.987 5.524 30 20 IKED CCCCN(C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)[C@H](C)c1ccccc1 486758095 JPXPFCYFZLYABL-LJQANCHMSA-N 442.519 5.074 30 20 IKED CC(=O)Nc1ccc2nc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)sc2c1 490182098 LEJRNVMNZKUWPH-UHFFFAOYSA-N 428.473 5.171 30 20 IKED CC(C)Oc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(F)c(OC(F)F)cc1F 490288167 QUNZLBBBWOOSKB-UHFFFAOYSA-N 426.288 5.020 30 20 IKED N#C[C@H](C(=O)c1cnc2c(F)ccc(F)c2c1)c1nc(-c2ccc(Cl)cc2)cs1 496030563 VCDDXGMKANZYQP-OAHLLOKOSA-N 425.847 5.780 30 20 IKED CCCCOc1ccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc1OCC 499420892 MADRXBBGXQLTJB-SFHVURJKSA-N 431.330 5.021 30 20 IKED Cn1c([C@H]2CCCN2C(=O)c2ccc(OCc3ccccc3C#N)cc2)nc2ccccc21 503152791 AKAJODWMWMEKTR-RUZDIDTESA-N 436.515 5.001 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3occc3-c3ccc(F)cc3)s2)cc1 503344512 MOSQLYRYQPTBOV-UHFFFAOYSA-N 436.493 5.353 30 20 IKED CCOc1cc(C(=O)[C@H](C#N)c2nc3ccccc3s2)ccc1OCc1cccnc1 503517339 RCTHYWZMYMEXFV-SFHVURJKSA-N 429.501 5.159 30 20 IKED Cc1ccccc1C1(CNC(=O)c2ccccc2Sc2ccccc2C#N)CCOCC1 503955590 IHXFALSAUQLVIB-UHFFFAOYSA-N 442.584 5.496 30 20 IKED N#C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(Cl)cc1 505808575 IEVRFDXEHNTFIM-QGZVFWFLSA-N 434.710 5.615 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H](C#N)c1cccc(Br)c1 506512808 VYSLTXLVEGAEIA-OAHLLOKOSA-N 448.679 5.200 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)cc1 508145424 GSWXQEKBRDIVNQ-UHFFFAOYSA-N 445.567 5.202 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nc(-c3ccccc3)ccc2C#N)c1 510179460 HBHVDPIYCVHQJD-UHFFFAOYSA-N 426.545 5.276 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 510921767 YOIPEOUCHJBCRN-RUZDIDTESA-N 427.504 6.037 30 20 IKED CC[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(Cl)s1 512719499 CNAMXJOBCSGOGW-LJQANCHMSA-N 439.968 6.319 30 20 IKED Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)s1 517379395 ALDSTHDARWJHCO-QGZVFWFLSA-N 434.565 5.630 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 517474227 WTDABDZTAAAHJN-IFXJQAMLSA-N 433.936 5.336 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4sc5ccccc5c4s3)n2)cc1 517801042 WLDYAECCZZOVNE-INIZCTEOSA-N 441.562 6.601 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 518331603 UYWDZZUGZREOJN-XMMPIXPASA-N 445.588 5.946 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)CCc1ccc(Br)cc1 518681683 FSPYXFKNLGTQKI-HOTGVXAUSA-N 446.414 5.844 30 20 IKED CC(C)CC(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 519052232 NOYAMGRHCSQDRM-UHFFFAOYSA-N 442.519 5.657 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(C(=O)NC2CCCCC2)CC1 520099638 FTZFHELFPQTVKE-UHFFFAOYSA-N 447.604 5.011 30 20 IKED Cc1c(Cl)cccc1NC(=O)CCNC(=O)Nc1ccccc1SC[C@@H](C)C#N 520856538 IZJCOLZKIDPBLK-AWEZNQCLSA-N 430.961 5.051 30 20 IKED Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 521096485 NJOFELOCQSOLFU-UHFFFAOYSA-N 445.479 5.022 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccccc3NC(=O)C[C@H]3C=CCC3)c2)cc1 523154017 ONLVNDYZXCJUJC-IBGZPJMESA-N 436.515 5.849 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1 523744184 PDVNNMHMLDTYNI-UHFFFAOYSA-N 425.488 5.096 30 20 IKED CC(C)COC[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccco1 523941416 IUZVBFATTDQHIU-DEOSSOPVSA-N 449.526 5.416 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(CN3CCCC3=O)cc2)c1 523948289 RCLVULVHYUVFLZ-UHFFFAOYSA-N 445.906 5.379 30 20 IKED N#Cc1ccc2ncc(/C=C/c3nc4ccccc4c(-c4ccccc4)c3CC(=O)O)n2c1 524067261 HGUJCDUACAUABQ-VAWYXSNFSA-N 430.467 5.219 30 20 IKED N#CCC[C@@H](NCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccccc1 532669895 ATEOLUPMVSUXAO-HSZRJFAPSA-N 438.358 6.380 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)cc1 536098832 NAPWXZCUKOPXDX-UHFFFAOYSA-N 429.907 5.138 30 20 IKED N#CC1(CCCSc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)CCOCC1 538569351 AHCLJEPKWBVJEF-UHFFFAOYSA-N 436.556 5.325 30 20 IKED Cc1ccccc1CNc1ccccc1NC(=O)CCCC(=O)Nc1ccccc1C#N 542085662 NBGBZUKQWBHXMM-UHFFFAOYSA-N 426.520 5.226 30 20 IKED Cc1ccnc(OC2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)c1 542953728 WNHQXMJLOIIEOF-UHFFFAOYSA-N 428.492 5.129 30 20 IKED Cn1cc(-c2ccc(F)c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)c2)cn1 542986303 QEENGCWTXGSZFK-UHFFFAOYSA-N 444.441 5.068 30 20 IKED C=CCOc1ccccc1CNC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 551601803 AJTPIGPHUKKIPX-JOCHJYFZSA-N 448.485 5.237 30 20 IKED COc1ccc(CCC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1Cl 552457216 KQRXEWRSHVKTIA-QHCPKHFHSA-N 434.923 5.241 30 20 IKED COc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc2cccnc12 553205999 LMPJSJGCHCILNC-UHFFFAOYSA-N 425.513 5.660 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 554212968 NYMCBGCZQONCGQ-WMZOPIPTSA-N 447.526 6.511 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(F)c2Br)cc1 555684645 FDRXZHCJUGEJSK-UHFFFAOYSA-N 441.256 5.513 30 20 IKED C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 572590697 JLYKOVCZZNARNO-OAQYLSRUSA-N 441.535 5.038 30 20 IKED CCN(CC)[C@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccsc1 576793287 OSUNHXXEGNJRAC-JOCHJYFZSA-N 435.553 5.012 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1)[C@H]1C[C@H]1C 577533747 WQBYLUHBFDYTDB-DWXRJYCRSA-N 439.515 5.151 30 20 IKED N#CC1(c2ccccn2)CCN(Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)CC1 583095884 GESHXULJHZKRLJ-UHFFFAOYSA-N 441.966 5.190 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)CC1 583452749 JSMPPYPHYSPBHU-UHFFFAOYSA-N 436.437 5.255 30 20 IKED Cc1nn(-c2ccccc2)cc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 588348976 LNLFSZJBKSVDRL-OAHLLOKOSA-N 426.423 5.299 30 20 IKED C=C(C)CN1CCC(NC(=O)c2oc3ccccc3c2CSc2cccs2)CC1 592075764 NPYIFBZGCZUYCK-UHFFFAOYSA-N 426.607 5.557 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)CCN3CCC[C@H](c4nc5ccccc5o4)C3)c2C#N)C1 603629540 AXWKDZYDXHUVOI-IRXDYDNUSA-N 448.592 5.094 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)cn2)cc1 603765780 YTCFMNAMCQVOKS-UHFFFAOYSA-N 446.413 5.250 30 20 IKED N#Cc1c(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)sc2c1CCC2 603776159 LXUDBDSTZLJIDC-UHFFFAOYSA-N 440.322 5.311 30 20 IKED C[C@@H]1Sc2ccc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)cc2NC1=O 603990890 BZTAYTHTIBTKDI-LBPRGKRZSA-N 431.542 5.070 30 20 IKED C[C@H](Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cn1)c1ccccc1 604005402 CAKDGUZBPQJEQQ-OXJNMPFZSA-N 426.501 5.230 30 20 IKED COc1ccc(C(=O)C2CCN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)CC2)cc1 606348232 CHKYHHIVVOGVCC-UHFFFAOYSA-N 439.515 5.046 30 20 IKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 609058958 DCRVHYDIUGZUME-UHFFFAOYSA-N 441.487 5.090 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnc2onc(C(C)C)c2c1 609061080 JCRDPUVHMCZLCQ-UHFFFAOYSA-N 426.476 5.358 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl 609212592 BZUJIRDPEFVHEX-UHFFFAOYSA-N 426.948 5.136 30 20 IKED N#CCCCOc1cccc(NC(=O)C(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)c1 609777962 IKXNTAWNCIYFHX-JOCHJYFZSA-N 439.943 5.105 30 20 IKED COC[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(C(F)(F)F)c1 609827084 UJYXPQVHLHYCDD-KDOFPFPSSA-N 437.487 5.609 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)C2CCN(Cc3ccccc3)CC2)c1 610234843 LMPUHRRSTSGVQO-UHFFFAOYSA-N 443.978 5.657 30 20 IKED CN(Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 610324161 CSZNIJMPEPPYDY-QHCPKHFHSA-N 426.520 5.089 30 20 IKED CC(C)CCC[C@H](C)N(CCC(C)C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 610401847 DJWIAJSERBDOER-NRFANRHFSA-N 427.637 5.195 30 20 IKED C[C@H](NC(=O)C(=O)Nc1cccc(Sc2ccc(Cl)cc2)c1)c1cccc(C#N)c1 610463065 FUWJOBSTWNTGGJ-HNNXBMFYSA-N 435.936 5.179 30 20 IKED COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C1 611333595 GEBKNDKWMLAENX-GOSISDBHSA-N 440.927 5.055 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)N1CCC[C@](C)(C#N)C1 612130259 ZANYVUKZFIVILF-JLTOFOAXSA-N 447.402 5.277 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(Cc4ccccc4)nc3C)n2)cc1 613318846 GYSONUQACWZBQJ-LJQANCHMSA-N 429.570 5.964 30 20 IKED N#C[C@@H](C(=O)c1nn(-c2ccccc2F)c2c1CCC2)c1nc2cc(Cl)ccc2s1 613406985 CDRKQCQFFCHKBE-AWEZNQCLSA-N 436.899 5.253 30 20 IKED CC(=O)N1CCCCC[C@H]1C1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1 618281334 LBNMWYXWYJPAIE-NDEPHWFRSA-N 443.635 5.389 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 618741543 GXCSLFFFWXONGU-VWLOTQADSA-N 435.487 5.096 30 20 IKED CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 618853772 OOWUKCHQGZDGMI-DEOSSOPVSA-N 445.542 5.129 30 20 IKED CC(C)N(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCc2cc(C#N)ccc21 618854093 RAGMIYRUXXCDEL-FQEVSTJZSA-N 430.321 5.067 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1csc(-c2ccc(F)cc2)n1 642157375 HGRGIPQBJRUPKH-PJXYFTJBSA-N 440.384 5.589 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1SCc1csc(C2CCCCC2)n1 643095107 GUEBHNJSGXTVQT-UHFFFAOYSA-N 431.675 5.289 30 20 IKED CC(C)Cn1ncc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1C(F)F 677675179 XDRJGLOJHPYFLN-AOOOYVTPSA-N 436.347 5.071 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(Br)cnc2Cl)cc1 725883629 CYHNDMQFZGXKNY-GOSISDBHSA-N 426.701 5.405 30 20 IKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(C)c(C)cc2C)cc1 726572345 ZJWPOSSBWUOXHI-UHFFFAOYSA-O 448.999 6.056 30 20 IKED Clc1cccc(Cl)c1-c1nnc(CON=Cc2ccc(Br)cc2)o1 726595168 XOIKUGLIIZVXLN-UHFFFAOYSA-N 427.085 5.357 30 20 IKED N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)c(C(F)(F)F)c1 728061300 UEENSROBSCTRAQ-INIZCTEOSA-N 448.388 5.122 30 20 IKED CCc1ccc(NC(=O)c2nnc(/C(Cl)=C\c3ccc(O[C@@H](C)C#N)cc3)s2)cc1 728698760 NWGVKYHTJKFAIL-BXUJETTOSA-N 438.940 5.381 30 20 IKED Cc1cc(C(=O)Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)c(C)n1[C@@H](C)c1ccccc1 728705437 WSMSCMIYWKPONV-KRWDZBQOSA-N 443.934 5.437 30 20 IKED Cc1ccc(Cn2cc(CNCc3ccc(OCC#N)cc3)c(-c3ccc(C)cc3)n2)cc1 729685319 HHWCHAVPOJMOJF-UHFFFAOYSA-N 436.559 5.407 30 20 IKED N#C[C@H](C(=O)CSc1nnc(-c2ccccc2)s1)c1nc(-c2ccccc2)cs1 729939734 IZEXVKMASRFXLS-MRXNPFEDSA-N 434.571 5.297 30 20 IKED C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc23)nc1C 730830765 XJOXOVGVVXJUGI-QZTJIDSGSA-N 447.589 5.080 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cs1 730952726 TXGFFSDAKZTPEY-OAHLLOKOSA-N 425.604 5.935 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1Cc1ccccc1 731064849 YPOGHESKXGQMOV-LJQANCHMSA-N 444.556 5.325 30 20 IKED CC(C)Cn1cc(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccc21 731073163 CHXNZCILHFZDAG-GOSISDBHSA-N 449.576 5.487 30 20 IKED C=CCN(C(=O)CCc1csc(C)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 733092402 FDHFSHCERCAIPU-UHFFFAOYSA-N 438.405 6.034 30 20 IKED C#CCN(C(=O)Nc1cccc(Cl)c1OC)[C@@H]1CCOc2ccc(Br)cc21 733628071 UWPRRLMQVXTYHC-QGZVFWFLSA-N 449.732 5.102 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)c1 733806554 JZMMOEBNOBLENQ-UKILVPOCSA-N 449.501 5.429 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cn1 734323349 DCQDERHLGXEZLA-UHFFFAOYSA-N 444.491 5.132 30 20 IKED Cc1ccccc1COc1c(C)cc(CN(C)C(=O)Cc2ccc(OCC#N)cc2)cc1C 734399989 QTLNYIZKWAQWBV-UHFFFAOYSA-N 442.559 5.294 30 20 IKED CCO[C@H](C)c1nc(CON=C(Cc2nc3ccccc3n2C)c2ccccc2)cs1 736609918 GTLQSLNVRZWNNE-QGZVFWFLSA-N 434.565 5.291 30 20 IKED N#CCSc1ccccc1C(=O)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 746584214 UQYXJOUVNNSRDC-UHFFFAOYSA-N 437.956 5.193 30 20 IKED C[C@H](OC(=O)c1c(F)c(F)cc(F)c1F)c1nc(-c2cccc(C(F)(F)F)c2)no1 748231984 ZRAISBXPVMRWTH-ZETCQYMHSA-N 434.267 5.230 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 748661985 VPBZNAQTRZJMAR-UHFFFAOYSA-N 433.964 5.684 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(-n3ccnc3C)cc2)cs1 751514266 QLOFWICMWWHYES-GHXNOFRVSA-N 446.507 5.357 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2sc(-c3cccc(Cl)c3)nc2C)cc1C#N 752190543 JOMLVQRBTXEDTF-UHFFFAOYSA-N 440.912 5.464 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2c(F)cc(C#N)cc2F)c(C(F)(F)F)c1 755291267 ZYIPHGNTYJLSHG-UHFFFAOYSA-N 441.356 5.455 30 20 IKED C=C[C@@H](CC(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1)c1ccccc1 758913332 JBPIMLFMLQUAMC-NRFANRHFSA-N 448.588 6.156 30 20 IKED Cc1ccc(-c2nnc([C@H](C)OC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)o2)cc1C 758943072 ALSJVXMUFNDIRR-KRWDZBQOSA-N 440.459 5.330 30 20 IKED CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)[C@H](C#N)c1nc2ccccc2[nH]1)OCC3 759182618 KRAOFHQEYAXSHU-AFMDSPMNSA-N 426.520 5.051 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 768137655 SAVRXWHNXXPZQV-INIZCTEOSA-N 433.726 5.195 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2csc(C(C)C)n2)cs1)c1ccc(F)cc1F 771745460 UDKBLYZHUJAVFA-FNORWQNLSA-N 433.505 5.582 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cc(F)cc(C(F)(F)F)c1 772837302 QPYLAJARUDJUSP-UHFFFAOYSA-N 431.414 5.474 30 20 IKED N#C[C@@H]1C(CN[C@@H](CCc2ccccc2)c2ccccc2)=CC(=O)n2c1nc1ccccc12 775178178 DWPRGFZTNAQCJQ-RPWUZVMVSA-N 432.527 5.187 30 20 IKED C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)cc1 777304278 NVGFQRGQHDTTRB-ABAIWWIYSA-N 437.710 5.203 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 780675926 WHTRBTKLKAPCRF-LIRRHRJNSA-N 436.512 5.439 30 20 IKED C[C@@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1Cl 787048691 HAVNCYOWBBTTAW-BMIGLBTASA-N 429.225 5.212 30 20 IKED COc1ccc(CN(CCc2ccccn2)C(=S)Nc2ccc(C#N)c(Cl)c2)cc1 795030615 WHLNEMYJAXQYLK-UHFFFAOYSA-N 436.968 5.057 30 20 IKED Cc1ccccc1-c1noc(C)c1C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 796213770 APPGQSMQXGGKMI-MRXNPFEDSA-N 449.532 5.148 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 800576627 SETYSVXEWVSGEZ-UNMCSNQZSA-N 427.589 5.449 30 20 IKED C=C(C)Cn1c(Cc2cccc3ccccc23)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 802581307 SWMFPSWVPZRCQQ-SANMLTNESA-N 449.558 5.048 30 20 IKED N#CCOc1ccccc1-c1nc(Cc2cccc(OCCCc3ccccc3)c2)no1 809407119 PBEPYYWFQZVEMY-UHFFFAOYSA-N 425.488 5.241 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(CC[C@@H](C)F)C2=O)c1 814705256 XNAAHOAXIUZHOW-XLIONFOSSA-N 427.545 5.012 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)CCc1cc(C(F)(F)F)ccc1Br 816016213 KEWJPBWJOZKGEJ-LBPRGKRZSA-N 441.247 5.330 30 20 IKED C[C@H](OC(=O)c1sc2cccc(Cl)c2c1Cl)C(=O)NC1(C#N)CCCCC1 913328470 PMSNNFYPAWDBFB-NSHDSACASA-N 425.337 5.096 30 20 IKED Cc1sc2ncnc(N3CCC(C(=O)[C@H](C#N)c4nc5ccccc5s4)CC3)c2c1C 915098791 CWYVUVARPXXHOP-INIZCTEOSA-N 447.589 5.011 30 20 IKED N#C[C@H](C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1nc2ccccc2s1 915099368 SEPMXXRCEHIXKH-TZIWHRDSSA-N 425.513 5.034 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccccc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 915104043 JAPQLXOYTYYHDY-HNNXBMFYSA-N 443.475 5.858 30 20 IKED CC(=O)N/C(=C/c1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 916056816 IPWTXQAMHKYLGJ-SGCYSOCQSA-N 429.907 5.111 30 20 IKED COc1ccc2oc(C)c(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c2c1 916449943 UISTVOYTIWJFEL-UHFFFAOYSA-N 426.472 5.647 30 20 IKED CC(C)c1noc2ncc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc12 916910369 SRROLGMOMNDESW-LJQANCHMSA-N 440.459 5.100 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(OCc3cccc(C)c3)c2)cc1Cl 916939428 RNZSSKNZJBSTSN-OAQYLSRUSA-N 448.906 5.197 30 20 IKED N#C[C@H](C(=O)CCc1ccc(Cl)s1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997179 TUNNZEYZKOHOPE-CYBMUJFWSA-N 441.792 6.641 30 20 IKED N#C[C@H](C(=O)Cc1ccc(Cl)cc1Cl)c1nc2cc(C(F)(F)F)ccc2s1 917043660 NBFCHAJQHCNBDV-GFCCVEGCSA-N 429.250 6.041 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 920101544 DAWVLOBLPDKYOF-LJQANCHMSA-N 438.443 5.334 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCCCc3nc4ccccc4s3)n2)cc1 920139225 OZTSVGRNUYYDSH-GOSISDBHSA-N 447.585 6.018 30 20 IKED N#C[C@@H](C(=O)COc1cccc(Br)c1)c1nc(-c2c(F)cccc2F)cs1 920804301 OPMCMIXJXWUHJC-ZDUSSCGKSA-N 449.276 5.106 30 20 IKED Cc1ccc(NC(=O)CCc2c(C)nc(O)c(C#N)c2C)cc1OCc1cccc(Cl)c1 1529935791 IOZCMVPNRMZISU-UHFFFAOYSA-N 449.938 5.388 30 20 IKED C[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)c[nH]3)CCC2)cc1)c1ccc(Cl)cc1 1785989209 XDWHTLFMOYMCLJ-INIZCTEOSA-N 446.938 5.091 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3cc(F)cc(F)c3)cc2)CCC1 1788376057 OMSVWKBRKVSJEE-UHFFFAOYSA-N 447.485 5.351 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccoc4)cc3)CCC2)c1 1791957646 GFVANUPXPCPHLM-LJQANCHMSA-N 441.531 5.287 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccccc3)CCCC2)n[nH]1 1814684887 KVDYUIIHEJMRDH-QHCPKHFHSA-N 446.595 5.107 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C(C)(C)C)oc2C)n[nH]1 1816464506 IAEQRTWTZVFSRE-HNAYVOBHSA-N 426.561 5.127 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccccc3o2)n[nH]1 1818630407 GMQSVVWLIIZXBO-QUCCMNQESA-N 432.524 5.230 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[nH]n1 1821921138 OYTMYBOVNATPCY-KSFYIVLOSA-N 449.530 5.062 30 20 IKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCCCC(C)(C)C)n[nH]1)C(F)(F)F 1822116769 IKQDFUGQJQCWSD-KRWDZBQOSA-N 442.526 5.517 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccs2)CC1 1824139774 QNNAKTGTEPANIK-QHCPKHFHSA-N 428.642 5.069 30 20 IKED Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c1 1830002267 LEWDNAJVIFNLRO-HSZRJFAPSA-N 449.982 5.067 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(C)CCCCC3)CC2)c1 1831796073 MZBPWFICMWQHHT-SQJMNOBHSA-N 449.639 5.517 30 20 IKED COc1ccc(-c2nnc(SC[C@H](C#N)CCC#N)n2C2CCCCC2)cc1OC 7193694 WRIYPAQNIJFGON-INIZCTEOSA-N 425.558 5.003 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccccc1 9447510 SESOLQPWHPGYHI-MRXNPFEDSA-N 447.589 5.374 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(C(C)C)cc2)cc1 11263351 QPYNRVCJUXGHOK-UHFFFAOYSA-O 448.656 6.056 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccccc2)cc1C 15247990 WTDSCCXLIUNUEO-UHFFFAOYSA-O 430.380 5.949 30 20 IKED C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc(OC)c(OCc2ccccc2)c(OC)c1 15502885 QADRKTYSWDXPQK-VWLOTQADSA-N 430.504 5.035 30 20 IKED Cc1cccc(OCc2nnc(S[C@H](C)C(=O)/C=C3/N(C)c4ccccc4C3(C)C)o2)c1 22132305 PPONSVHTOBVRKG-FEMWLQECSA-N 449.576 5.318 30 20 IKED COc1ccc(C(=O)/C(=C(/S)NCCc2ccccc2)[n+]2ccc(C(C)(C)C)cc2)cc1 22791383 BNTOHLZIJFAIRM-UHFFFAOYSA-O 447.624 5.051 30 20 IKED N#Cc1ccc(CN2CCCN(C(=O)c3ccc(-c4ccc(Cl)cc4)s3)CC2)cc1 23752577 HLNYUXDNCFVNOO-UHFFFAOYSA-N 435.980 5.288 30 20 IKED O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1cccc(C#Cc2cccs2)c1 43738148 OWPALYDEXRGMSM-UHFFFAOYSA-N 443.553 5.038 30 20 IKED C[C@@H](Sc1nc2c(cc1C#N)CCCC2)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 96995130 PQUIITJLYUXRJG-GFCCVEGCSA-N 434.546 5.243 30 20 IKED C=CCn1c(SCc2cccc(C(=O)Nc3ccccc3)c2)nnc1-c1ccoc1C 108220045 UDMRSXMLFFCJSI-UHFFFAOYSA-N 430.533 5.577 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)cc1 110173246 IQHJGFILOPHREY-UHFFFAOYSA-N 446.454 5.389 30 20 IKED COc1ccc(S[C@@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 116552853 RICKTUQFPYIQPI-INIZCTEOSA-N 434.517 5.487 30 20 IKED C=CCc1cc(CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc(OC)c1O 237299979 WANVBEYDEPYQTH-UHFFFAOYSA-N 434.483 5.561 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)c1 255506106 TZYHSYATRWTQAM-OAQYLSRUSA-N 433.533 5.057 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@H](C)c2cccc3ccccc23)n(Cc2ccco2)c1C 302593317 NTYAMAXLQFTERA-GOSISDBHSA-N 426.520 5.060 30 20 IKED Cc1ccc(OC2CCN(C(=O)c3cccc(COc4ccc(C#N)cc4)c3)CC2)cc1C 303650773 UDBQHNZRTCYPNL-UHFFFAOYSA-N 440.543 5.438 30 20 IKED C=CCCCN(C)C(=O)c1sc2nc(CSc3cc(C)ccc3C)nc(O)c2c1C 303939249 YMZSHTYVFWVUIC-UHFFFAOYSA-N 441.622 5.653 30 20 IKED C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)Nc1cccc(OCCCC#N)c1 426146539 WNRCTRAJEOGBIW-OAHLLOKOSA-N 425.941 5.690 30 20 IKED N#Cc1ccc(CSCC(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)cc1 431141732 ZPXIFZIFNGREIS-IBGZPJMESA-N 433.346 5.057 30 20 IKED C[C@]12CCN(C(=O)Nc3cc(C(F)(F)F)ccc3SCC(F)F)C[C@H]1C2(F)F 432961354 SFTBKXMJCHBJKQ-DOMZBBRYSA-N 430.389 5.572 30 20 IKED COC(=O)[C@H](Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1cccc(C#N)c1 434868896 MWGHCDGZATWTDU-HXUWFJFHSA-N 445.372 5.230 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N(CCc2ccccn2)Cc2ccncc2)cc1 436353441 SADHIOWOCJHKKO-UHFFFAOYSA-N 449.514 5.417 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)Cc2csc(-c3cccnc3)n2)cc1F 437458795 GQDQSWDKQDFYBE-UHFFFAOYSA-N 430.464 5.189 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCOC[C@@H]2c2ccccc2)cc1Cl 437774863 MZGJAERZUUIXHM-LADGPHEKSA-N 431.923 5.601 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 437846903 RTHLXUAEFVLGGI-SSOJOUAXSA-N 429.495 6.413 30 20 IKED C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438662646 AQVKWLZNJXEMMH-AWEZNQCLSA-N 425.410 5.993 30 20 IKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccc(Cl)cc1 442123095 YCSZRIMYQQBVNX-LJQANCHMSA-N 429.973 5.188 30 20 IKED Cn1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc2cc(C(F)(F)F)ccc21 442668365 DORJRTRFKLMUNE-CYBMUJFWSA-N 432.352 5.432 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)N(CC(F)F)CC1CCC1 444026268 WHTOMYPUXLFQJO-AWEZNQCLSA-N 432.355 5.776 30 20 IKED CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2Cl)c2cccs2)cc1 447249096 WJZUDESJYQDNAT-NRFANRHFSA-N 437.952 5.241 30 20 IKED C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C 447394859 MUCFTQMNKYGOCR-UYAOXDASSA-N 432.442 5.186 30 20 IKED COCCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)[C@@H]1CCCSC1 448018086 NSBFQDPCVZBDOG-LJQANCHMSA-N 425.554 5.035 30 20 IKED C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCC(CC(F)(F)F)CC1 460559503 MNCRLHTUVFUXAJ-UHFFFAOYSA-N 438.494 5.001 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC2(CCOCC2)[C@@H]1C 460573422 DCARRBNURFSCEJ-MSOLQXFVSA-N 430.980 5.043 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCc2cc(F)cc(C)c2C1 460793070 KKDSUHVMKIONIR-UPVQGACJSA-N 432.543 5.110 30 20 IKED C=C(C)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 460951287 JWXFUTMKPZLLGE-GOSISDBHSA-N 438.469 5.131 30 20 IKED CC(C)c1ccc([C@@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC2)cc1 461594410 DMQCBDSAMQAGKB-BWKNWUBXSA-N 441.579 5.318 30 20 IKED C=CCOc1ccc(CNc2ccc(CCn3cc(Br)cn3)cc2)cc1OC 462769718 UNCUADDMOONRNZ-UHFFFAOYSA-N 442.357 5.074 30 20 IKED CCOc1ccc(-n2c(SCc3ccc(F)c(C#N)c3)nnc2-c2ccncc2)cc1 468652507 IPLZAQHLMQTKKZ-UHFFFAOYSA-N 431.496 5.031 30 20 IKED C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(-c2ccncc2)cc1 470198301 QIQSHLXMCLOEJY-LJQANCHMSA-N 435.552 6.262 30 20 IKED C[C@H](C#N)CSc1ccccc1N[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 471384181 XRVAHRJIOBMXGB-CHWSQXEVSA-N 433.364 6.468 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCCc2cccc(C(F)(F)F)c2)c1C 472348421 LYQAQLJTHORNQJ-UHFFFAOYSA-N 426.442 5.341 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4n[nH]c(C5CC5)n4)cc3)n2)cc1 473489015 OYRMFXDARCMIDJ-IBGZPJMESA-N 425.517 5.271 30 20 IKED CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc(C(C)(C)C#N)cc1 474588700 DXWHMANWKHPMHI-UHFFFAOYSA-N 432.351 5.285 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1COc2c1ccc(C)c2C 480317379 DZLYIUANQROFRT-DEOSSOPVSA-N 427.504 5.318 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)nnc1-c1cccs1 481390083 CFOFBBXGIHSBBI-LBPRGKRZSA-N 438.500 5.331 30 20 IKED C=CCN(C(=O)C[C@@H](C)c1ccccc1OC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 482236939 AXJHMZKTSJHURB-MRXNPFEDSA-N 437.521 5.440 30 20 IKED N#CCC[C@@H](NC(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1ccccc1 482418946 VRKHQTBFHBFDAQ-SJORKVTESA-N 427.373 5.236 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-n4nc(C)cc4C)c(F)c3)n2)cc1 483282651 JYIBFPPAPOISOU-IBGZPJMESA-N 446.507 5.250 30 20 IKED N#C[C@@H](C(=O)c1cc(F)c(F)cc1C(=O)c1ccccc1)c1ccc(C(F)(F)F)cn1 483436621 GEOMZLOYTYZLQR-MRXNPFEDSA-N 430.332 5.100 30 20 IKED C=CCN(C(=O)[C@@H](C)c1c(F)cccc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 484746690 IXYDNNPBIOYSRX-ZDUSSCGKSA-N 429.448 5.319 30 20 IKED Cc1ccc(-c2ccc(C)c(NC(=O)C(=O)Nc3ccccc3SC[C@@H](C)C#N)c2)o1 484953712 OFDDAUQYNIEDEN-HNNXBMFYSA-N 433.533 5.392 30 20 IKED CCc1c(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cnn1-c1cccc(Cl)c1 485341877 NKKMYYDDURKTLC-REWPJTCUSA-N 433.943 5.392 30 20 IKED CCOc1cc(-c2nnc(SCc3cccc(F)c3C#N)o2)cc(OCC)c1OCC 488278227 IMIYCYLNTQZZEB-UHFFFAOYSA-N 443.500 5.236 30 20 IKED CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)Sc1nc(C(F)(F)F)ccc1C#N 488737821 SMQWSBLFQCOZFH-NSHDSACASA-N 433.411 5.040 30 20 IKED COCCOc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1Cl 490744558 IFYGKQBCZBLCPE-UHFFFAOYSA-N 436.895 5.068 30 20 IKED CC(C)Cn1ncc2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cnc21 499163017 DEEUDKVDOIPNSB-GOSISDBHSA-N 435.940 5.354 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@@H](C#N)c1ccccc1Cl 499946500 QLZCBFLYVXNQIT-KRWDZBQOSA-N 432.332 5.332 30 20 IKED Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 505814758 HXXRWTVIUSOAAD-NRFANRHFSA-N 434.565 5.271 30 20 IKED COc1ccc([C@H]2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2)cc1 506657087 XERZVDQSXNGIGS-GBXCKJPGSA-N 445.950 6.025 30 20 IKED COc1cc(F)c(NC(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1OC 506662940 OZEBLCFCXREPCW-OAHLLOKOSA-N 440.315 5.287 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F 506679086 BUHPGFNAEBPARE-PIGZYNQJSA-N 429.414 5.642 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H](COc3ccccc3)C2)cc1 506954925 NEEIGVZMHCLFRX-FQEVSTJZSA-N 443.503 5.292 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnn(CC(C)C)c2C2CC2)cc1 507275392 BQSRMYHFABAPTJ-UHFFFAOYSA-N 430.508 5.341 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc(Cc3ccc(F)cc3)nc2C)cc1 508147186 KZFZKSVXBHSFKO-UHFFFAOYSA-N 449.551 5.248 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@]2(CCCOC2)C1 508476830 HOLISDJBIJRHQC-IBVKSMDESA-N 432.568 5.154 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC(C)(c2nc(C)no2)CC1)c1ccc(C(F)(F)F)cc1 510587672 HVDRZBGTCRATAF-GOSISDBHSA-N 436.478 5.167 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cccc3ccccc23)cc1 511013117 NWQNAHYSTWYYRX-AREMUKBSSA-N 439.559 6.023 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)c1 513119515 ZNFAQTFARSEXAC-UHFFFAOYSA-N 435.527 5.638 30 20 IKED CN(C)C(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1Cl 518376451 ZWJQASJMUDNCLA-UHFFFAOYSA-N 433.895 5.152 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)cc(OC)c1OC 520722986 XGJQAFLBIZKVSZ-UHFFFAOYSA-N 448.519 6.100 30 20 IKED C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C 523517908 AOXOEFDGTWVJGN-HOCLYGCPSA-N 448.430 5.121 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)N(C)CC(=O)N(CCC#N)c3ccccc3)s2)cc1 523555569 NYUNLZWTSFNLID-HXUWFJFHSA-N 432.593 5.367 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cccc(Oc3cnccn3)c2)c1 523878324 LXIGMUBEAWAYIH-UHFFFAOYSA-N 442.862 5.839 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCc2nc(-c3ccncc3)cs2)c1 523972560 FSHXVDMMFBTJLT-UHFFFAOYSA-N 446.919 5.452 30 20 IKED C=C(C)COc1cccc(NC(=O)c2c(C)nn(-c3ccc(Br)cc3)c2C)c1 524174384 MANQNPAPYIKJIF-UHFFFAOYSA-N 440.341 5.459 30 20 IKED CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N(Cc2ccco2)c2ccccc2C#N)c1 525042790 OLGORRQSKPXOPI-UHFFFAOYSA-N 429.520 5.116 30 20 IKED CN1CCC([C@@H]2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)C2)CC1 534476883 CIUQHHRGSZTYIN-LJQANCHMSA-N 438.959 5.200 30 20 IKED Cc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1NC(=O)c1cccs1 534679231 NMLVOMQHABCBEL-INIZCTEOSA-N 435.574 5.955 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccc([S@@](C)=O)cc1 534889729 IXLQGJYXIQAZRL-DHMKHTPVSA-N 438.936 5.232 30 20 IKED CCCCCn1cc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c2ccccc21 539683585 KKOOPJYFZASDSI-UHFFFAOYSA-N 442.563 5.194 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1sc(-c2ccccc2)cc1C#N 540875722 CQOTYKAISIBRLP-GFCCVEGCSA-N 432.471 5.405 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2ccc(Br)cc2Cl)n1 542943581 OKRLNQAKFIZWMM-UHFFFAOYSA-N 436.096 5.066 30 20 IKED Cc1ccccc1NC(=O)[C@@H]1CCc2ccccc2N1C(=O)c1ccc(Cl)c(C#N)c1 544424023 WPTDGMDBUZSYND-QHCPKHFHSA-N 429.907 5.120 30 20 IKED C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1nc(-c2ccccc2)cs1 544486818 QVJFTTGJWKFUAU-HNNXBMFYSA-N 436.606 5.301 30 20 IKED COc1cc(CN[C@H](C)c2nc(C3CCCCC3)no2)ccc1OCc1cccc(C#N)c1 544507222 IGBLWZYLBRCQFC-GOSISDBHSA-N 446.551 5.427 30 20 IKED C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(OC(C)(C)C)CC1 549288540 WNLNSQVGFTZMMS-UHFFFAOYSA-N 435.037 5.584 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(CC#N)CC3)n2Cc2ccccc2)c1 549533134 PMBGVNCFHBMYBI-UHFFFAOYSA-N 443.595 5.467 30 20 IKED N#CCC1CCN(c2nnc(-c3cc(Cl)ccc3Cl)n2Cc2ccccc2)CC1 558922772 JSTRTERZSQWFIX-UHFFFAOYSA-N 426.351 5.430 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3cccs3)[C@@H]3C=C[C@H](CO)C3)cc2)c1 562171880 VHAICNKYFNJQPK-PZJWPPBQSA-N 445.544 5.383 30 20 IKED C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCc1cc(F)c(C(F)(F)F)cc1F 573156119 VPSQWLVMAJHZCG-JTQLQIEISA-N 440.334 5.509 30 20 IKED Cn1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1C1CCC1 580629967 SHEGYBHAPQGSTR-UHFFFAOYSA-N 444.482 5.483 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ncsc3Br)cc2Cl)cc1 581391718 SPTOCDZSWJINFV-UHFFFAOYSA-N 434.702 5.475 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cncc(Cl)c1Br 581967992 PBNHPIZHZNPRML-UHFFFAOYSA-N 428.673 5.414 30 20 IKED N#C[C@H](C(=O)c1oc2ccccc2c1COc1ccccc1Cl)c1nc2ccccc2o1 588348862 AXBKXNZBHTUEPG-MRXNPFEDSA-N 442.858 6.296 30 20 IKED CC(C)CN(C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(C#N)cc1 603529029 ORDNMJHNMFRIJO-UHFFFAOYSA-N 437.443 5.267 30 20 IKED COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)Nc2sccc2C#N)cc1 603563447 DNVCDYAIDKODPJ-VKAVYKQESA-N 437.524 5.916 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603765455 VFKHYNNVIGFMDT-UHFFFAOYSA-N 444.472 5.213 30 20 IKED Cc1cc(C)c2cc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)sc2n1 604003937 STVGOIHCLXVFTI-UHFFFAOYSA-N 427.529 5.811 30 20 IKED N#Cc1ccc(CS(=O)(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 604040694 ZJMJFRRPEJZESN-UHFFFAOYSA-N 431.344 5.074 30 20 IKED COc1cccc(CNC(=O)[C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 604047751 RZXAOMXIHOHZQT-MRXNPFEDSA-N 435.911 5.129 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCN(c4nc5ccccc5s4)C3)n2)cc1 604231191 QHSPYBFWTASWLV-QGZVFWFLSA-N 445.573 5.147 30 20 IKED N#C[C@@H](NC(=O)c1cc(F)ccc1Br)c1ccc(OCc2ccccc2)cc1 609028751 ORFGASHMIOJWOQ-OAQYLSRUSA-N 439.284 5.162 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)o2)cc1 609057920 ZZUARPODIULXLD-UHFFFAOYSA-N 436.427 5.042 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3csc(-c4cccc(F)c4)n3)cc2)c1 609065070 UHHYWRBCLVQTTO-UHFFFAOYSA-N 443.503 5.581 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H]1CCN(c2ccccc2)C1 609079278 TYZJEBACMUXNFW-HSZRJFAPSA-N 440.547 5.094 30 20 IKED CC(C)(C)c1noc2ncc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc12 609105286 WQLQKRRMQPRDCI-UHFFFAOYSA-N 444.466 5.362 30 20 IKED Cc1nc(-c2c[nH]c(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)c2)cs1 609171835 FVQRRVBIJCNJPZ-JOCHJYFZSA-N 428.517 5.020 30 20 IKED COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 609306233 IXAHZKGVXBXGTL-FQEVSTJZSA-N 430.479 5.346 30 20 IKED Cc1ccc(-c2noc(CSCC(=O)Nc3ccccc3SC[C@H](C)C#N)n2)cc1 609388669 BAKDLZWNEKSEGE-MRXNPFEDSA-N 438.578 5.169 30 20 IKED CCCCOc1ccc(C(=O)N[C@@H](C#N)c2ccccc2Br)cc1OCC 609591668 WKOOAZNOWRMHIW-SFHVURJKSA-N 431.330 5.021 30 20 IKED C=CCc1cc(C(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)cc(OC)c1OC 609698211 PZGIODDMZOXSPQ-YTTGMZPUSA-N 449.572 5.134 30 20 IKED CCN(Cc1cccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1)C(C)=O 609727733 VLFDSACRFHSACZ-UHFFFAOYSA-N 447.922 5.625 30 20 IKED COc1ccc(C2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)CC2)cc1 610415726 HESXUNPNROAJLF-UHFFFAOYSA-N 428.492 5.166 30 20 IKED C=CCN(C(=O)CCSc1ccccc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 610421746 SSVWDESIMRLSEB-UHFFFAOYSA-N 443.525 5.559 30 20 IKED Cc1cc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)nn1CCCOc1ccc(F)cc1 611247544 RYGOXGYSHJYBLS-UHFFFAOYSA-N 447.297 5.231 30 20 IKED COc1ccc2c(c1)CC[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)C2 612343202 LVLACULZLTZADG-QFIPXVFZSA-N 428.557 5.146 30 20 IKED CC(C)n1ncc2cc(C(=O)[C@H](C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)cnc21 613393647 ZEAUKAFBXLPPEZ-ILGMOKPNSA-N 445.592 5.427 30 20 IKED CCCc1c(NC(=O)N(CCC)Cc2ccc(OC)cc2)cnn1-c1cccc(C#N)c1 615268580 KYEPIRXTFIRLMU-UHFFFAOYSA-N 431.540 5.149 30 20 IKED C=CCN(Cc1ccc(OC)cc1)Cc1csc(N(C(C)=O)c2ccccc2F)n1 615346987 RHRDCLBPIIDXJK-UHFFFAOYSA-N 425.529 5.164 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(NC(=O)c4ccco4)cc3C)n2)cc1 642281317 ZBLMSQIWHHSSDC-INIZCTEOSA-N 447.541 5.824 30 20 IKED O=C(NCc1ccc(F)c(F)c1)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 673635417 MQROOJGUNNGHAY-UHFFFAOYSA-N 449.301 5.118 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1c(F)cc(C(F)(F)F)cc1F 685605137 WUAIKJXOUSMSLO-QMSLJYSESA-N 443.256 5.623 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)s2)[n+]2ccccc2CC)c1 726573664 PBJZDNYGMXWZRA-UHFFFAOYSA-O 425.986 5.556 30 20 IKED N#C[C@H](C(=O)[C@@H](OC1CCCC1)c1ccccc1)c1nc(-c2c(F)cccc2F)cs1 727050820 ITPVOCGEKUBWJF-HXOBKFHXSA-N 438.499 5.965 30 20 IKED COc1ccc(/C=C2/Cc3c(F)cc(Br)cc3C2=O)cc1OCCCC#N 727780958 XURBZGOKPDKVOL-ZSOIEALJSA-N 430.273 5.102 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Oc3ccc(NC(=O)c4ccsc4)cc3)o2)cc1 728885193 QANQYFWCSCBFIF-UHFFFAOYSA-N 444.468 5.263 30 20 IKED COc1ccccc1CC(C)(C)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 733052922 UJUUWYLKVPMTGB-HNNXBMFYSA-N 432.467 5.769 30 20 IKED Cc1noc(C)c1CSc1ccccc1C(=O)OCc1cc(Cl)ccc1OCC#N 735328520 BYSVHXOOMUESDY-UHFFFAOYSA-N 442.924 5.497 30 20 IKED Fc1ccc(CN(CC(F)(F)F)C(=S)Nc2ccc(OC(F)(F)F)cc2)cc1 741868971 XJBHNLNOFMGXRU-UHFFFAOYSA-N 426.357 5.486 30 20 IKED CC(C)(CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc2c(c1)OCO2 746763583 YSQORYFUOHYULB-JOCHJYFZSA-N 427.504 5.170 30 20 IKED CC[C@@H](C)Oc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)ccc1OC 749444623 SNVDYVWYLABSSE-OAHLLOKOSA-N 430.961 5.292 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 760784179 QSVNDODMOUOXHR-UHFFFAOYSA-N 435.402 5.052 30 20 IKED N#Cc1ccc([C@H](O)CSc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)cc1 763226075 UIVQLROELWGONO-JOCHJYFZSA-N 446.963 5.344 30 20 IKED CC(C)c1nn(-c2ccc(Br)cc2)cc1C=NNCc1cccc2cccnc12 763354732 UUCFLRKXBDRYTC-UHFFFAOYSA-N 448.368 5.430 30 20 IKED CCS[C@@H](C)c1noc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)n1 765910425 SQGIFOHQYZOVMW-OXJNMPFZSA-N 435.553 5.203 30 20 IKED N#C[C@H](COC(=O)c1csc(-c2ccc(Br)s2)n1)Cc1cccs1 772733368 JAOZZNTZDXOPFH-SNVBAGLBSA-N 439.381 5.235 30 20 IKED Cc1ccc(/C=C/C(=O)C(c2nc3ccccc3s2)c2nc3ccccc3s2)cn1 773942881 IGRQCXNPQBRGMS-OUKQBFOZSA-N 427.554 6.024 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 774324104 VHSXXESONKOWEJ-AREMUKBSSA-N 443.522 5.020 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2OC)nnc1-c1ccc(Cl)cc1 775361292 CHDYIEVPRSSWHB-UHFFFAOYSA-N 449.363 5.177 30 20 IKED Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1coc(C2CC2)n1 776748983 CVVLABSHMQWFGV-HXUWFJFHSA-N 448.504 5.387 30 20 IKED COc1cc(C#N)cc(Cl)c1OC(=O)c1nc(-c2cccc(C(F)(F)F)c2)oc1C 782203259 QTLOVXAODQNOSE-UHFFFAOYSA-N 436.773 5.422 30 20 IKED COC(=O)Nc1ccc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F 783146321 HOAWRTDEKDZEQH-JZYVYDRUSA-N 445.335 5.035 30 20 IKED Cc1ccc(CN(C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C2CC2)cc1C 784993579 RKYFAWWGCNIKID-AREMUKBSSA-N 437.543 5.089 30 20 IKED C=C[C@@](C)(CC)C(=O)OCc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 785758141 SAPBYMCSNRTRFS-IBGZPJMESA-N 426.460 5.492 30 20 IKED COc1ccc(/C=C(/Cl)c2nc3cc(Br)ccc3[nH]2)cc1OCCCC#N 787182369 COEVYGDUBQRWRW-XNTDXEJSSA-N 446.732 5.753 30 20 IKED C[C@@H](CC(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1c[nH]c2ccccc12 787223851 KLWZITMMYRVDMJ-SJORKVTESA-N 435.549 5.095 30 20 IKED C[C@H](C#N)Oc1ccc(CNc2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)cc1 790612451 AFCDPOZPDNTPEF-MRXNPFEDSA-N 425.504 5.022 30 20 IKED N#C[C@@H](C(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1)c1nccc2ccccc12 792095229 VGOPMNSMYCACAZ-NLFFAJNJSA-N 430.479 6.223 30 20 IKED N#C[C@H](C(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1)c1cnc2ccccc2n1 792111749 XVVGAFHIQZQXCZ-XDHUDOTRSA-N 431.467 5.618 30 20 IKED CC(C)(CC(=O)c1ccccc1)CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 799605049 JKJWRIQOPWMEHO-MRXNPFEDSA-N 438.499 5.954 30 20 IKED CCOC(=O)Oc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 799930479 SFYJSCOBXVVGFQ-UHFFFAOYSA-N 430.460 5.233 30 20 IKED C[C@@H](NCc1cnc(NC(=O)OC(C)(C)C)s1)c1ccc(-c2cccc(C#N)c2)cc1 800262742 RVAACJWDHQYZQU-MRXNPFEDSA-N 434.565 5.880 30 20 IKED N#C[C@H](C(=O)CCSc1cccc(Cl)c1)C(=O)Nc1ccc(SC(F)F)cc1 808978693 ADBZZPHYPXZAMY-MRXNPFEDSA-N 440.924 5.484 30 20 IKED C=CCN1C(=S)N[C@@H](c2ccsc2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 916168238 ZCTBSCNYPBIHRB-KRWDZBQOSA-N 437.512 5.097 30 20 IKED N#C[C@H](C(=O)CCc1ccc2ccccc2c1)c1nc(O)c2c3c(sc2n1)CCCC3 917419675 FWTSRDYDLKNJJQ-LJQANCHMSA-N 427.529 5.238 30 20 IKED COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)c2ccccc12 917559226 GGMNHSRULSJRGZ-UVTDQMKNSA-N 442.540 6.194 30 20 IKED Cc1ccccc1C1(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCOCC1 919904655 REYMSSUMMOVKSQ-RUZDIDTESA-N 439.559 5.520 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3cccc(Cl)c3Cl)n2)cc1 920138854 LBCFEFNAINFBJP-IUODEOHRSA-N 447.343 5.769 30 20 IKED N#C[C@@H](C(=O)c1ccc(OC2CCCC2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 1523822539 CRPAFJKGNRBRJX-SFHVURJKSA-N 433.533 5.087 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccn(C(C)(C)C)n3)CCC2)cc1 1789452879 COEYIRYFRUECAU-OAQYLSRUSA-N 434.584 5.154 30 20 IKED Cc1csc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1815380395 HPMLMCDGKWTHST-OXJNMPFZSA-N 447.564 5.026 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)Cc2ccccc2)[nH]n1 1819309928 LEDVSYDPEDRNLQ-LSWJPFSZSA-N 434.584 5.049 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2OCC)CC1 1824143125 HXYMOAWHPRHDDA-DEOSSOPVSA-N 438.612 5.087 30 20 IKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1826694077 SXCQYOMBCXGDEX-RUZDIDTESA-N 445.563 5.016 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)CC1 1828356441 HEPCSUMOWSNCEK-CLKZLRPASA-N 434.580 5.278 30 20 IKED CC(C)(C)CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)CC1 1829778685 PZVZOXVAKNKKFB-HSZRJFAPSA-N 440.632 5.116 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)Oc2ccccc2)CC1 1830401758 RFHFDIVPIRHERU-QPPBQGQZSA-N 440.628 5.066 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)Nc1cccc(OC)c1 11260281 LICOCRHQHAKIQM-UHFFFAOYSA-O 433.597 5.521 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)n1 21514739 MIMFUKNMSZFXCS-UHFFFAOYSA-N 435.515 6.258 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccoc1C 23519198 OXTMAJSNUNERIF-OAHLLOKOSA-N 430.961 5.422 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)c1ccccc1SCC(=O)N1CCCC1 27860186 MKTBHBKTTNXNLA-UHFFFAOYSA-N 446.597 5.115 30 20 IKED N#Cc1c(NC(=O)CCSc2nnc(NC3CCCCC3)s2)sc2c1CCCC2 45699338 VOVCUALMEXZWEX-UHFFFAOYSA-N 447.655 5.216 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCCc2c[nH]c3ccccc23)cc1 59333077 NJUAONWWPZWWJD-UHFFFAOYSA-N 425.507 5.730 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc12 60477174 MYENVNMLGPMXJC-INIZCTEOSA-N 448.960 6.149 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-n4nc(C)cc4C)cc3)n2)cc1 108978879 PSAPRVKPUIYUJH-NRFANRHFSA-N 428.517 5.111 30 20 IKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 301150228 XQYJUINDQIGXPL-UHFFFAOYSA-N 435.936 5.503 30 20 IKED Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 303324125 IIHOLBLLVBNINT-UHFFFAOYSA-N 445.950 5.981 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3c[nH]nc3-c3ccc(Cl)s3)n2)cc1 426520354 CWKDZOSOSGQIJR-ZDUSSCGKSA-N 440.937 5.414 30 20 IKED N#CCSc1cccc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c1 429814985 OLEOKBBSDYUKQW-UHFFFAOYSA-N 442.371 5.847 30 20 IKED Cc1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)n(C2CCN(C)CC2)n1 430445926 BPQKKGQZYPCUQT-UHFFFAOYSA-N 449.942 5.028 30 20 IKED Cc1oc(C#N)cc1C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 436140233 HXTKKJGKPOEEFJ-UHFFFAOYSA-N 428.370 5.375 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3c(F)cccc3Br)c2)c1 438434852 AEJGVBQRXXSSNI-UHFFFAOYSA-N 425.257 5.291 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)c1ccc(C(=O)C(C)C)cc1 438776671 NISGPLRQZRKJKV-UHFFFAOYSA-N 448.544 5.085 30 20 IKED N#CCC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccccc1 439673676 NNEFXUZGJVKPDN-WIYYLYMNSA-N 444.362 5.007 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CSc2ccccc2C#N)cs1 439688668 IMGFZYQWKRUSNB-UHFFFAOYSA-N 433.480 6.010 30 20 IKED COc1ccc(NC(C)=O)cc1N(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(C)C 441608918 JODOBCFRJCSCEG-UHFFFAOYSA-N 443.503 5.373 30 20 IKED Cc1cc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)ccc1C1CC1 441768619 NMEWEDWFQDFZEN-UHFFFAOYSA-N 429.451 5.253 30 20 IKED C[C@H](O)C[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 443920216 BLUDHYNWKXBJPI-KSSFIOAISA-N 433.430 5.137 30 20 IKED N#CCCCn1cc(C(=O)N(CCCOc2ccccc2)C2CCOCC2)c2ccccc21 444262623 BNKMPHARQOOGDA-UHFFFAOYSA-N 445.563 5.035 30 20 IKED CC(C)N(C[C@@H](O)COc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 445234755 ALQWOCFGUNSDGF-JOCHJYFZSA-N 445.519 5.033 30 20 IKED Cc1cc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)ccc1-c1ccccc1 460231843 JTAYVGJHCQUIQL-UHFFFAOYSA-N 438.531 5.416 30 20 IKED N#CCCN(C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)c1ccc2c(c1)OCCO2 460880936 JGTCEEQZLRNORE-UHFFFAOYSA-N 438.405 5.103 30 20 IKED CC[C@H](C)N(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccc(C(N)=O)cc1 463604252 HLASPGUURJTHRY-INIZCTEOSA-N 447.922 5.548 30 20 IKED C[C@@H](C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCC2)c1cccc(C#N)c1 463765967 KJGLSXVGEPSMRK-CQSZACIVSA-N 429.570 6.127 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2cccc(C3CCC3)c2)cc1Cl 464107461 FZGBHCZXSSAXQT-HSZRJFAPSA-N 443.934 5.840 30 20 IKED CC[C@](C)(NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)c1nc(C)cs1 464812244 VARVOJZPPCDOHM-QHCPKHFHSA-N 427.618 5.100 30 20 IKED N#Cc1ccc(F)c(CNC(=O)N[C@@H](c2cc(F)ccc2F)c2ccccc2Cl)c1 466191382 CDVJXABQVVDKKV-OAQYLSRUSA-N 429.829 5.218 30 20 IKED N#CCCN(C(=O)CCC(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)c1ccccc1 467850867 LEBWQBPZGWZJSK-IYARVYRRSA-N 444.362 5.083 30 20 IKED N#CCC[C@H](NC(=O)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1ccccc1 468127540 AYPSOIKYCKBXSQ-RTWAWAEBSA-N 430.577 5.260 30 20 IKED N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2ccccc2-c2ccc(Cl)cc2Cl)cc1 471033539 VGAXOFNSOSHQGF-IBGZPJMESA-N 434.326 5.531 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(CCOCc2ccccc2)CC1 471725060 HUPGTIOFEXJXPW-UHFFFAOYSA-N 427.504 5.380 30 20 IKED O=C(c1ccc(-c2ccccc2C(F)(F)F)o1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 474932036 YPLBUCATOAHNFP-UHFFFAOYSA-N 445.281 5.922 30 20 IKED N#CC[C@@H](CC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1)c1ccccc1 475257682 RZJWQOQHTRQKSN-FQEVSTJZSA-N 438.358 6.005 30 20 IKED C=C(C)COc1cc(CN[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)ccc1OC 475632602 DQYQVCQCJQCZKP-GOSISDBHSA-N 429.866 5.146 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N2CCC(c3cccc4ccccc34)CC2)c1C#N 476154301 NYYJDVYQNTUALS-UHFFFAOYSA-N 427.573 5.726 30 20 IKED O=C(CCOCC(F)(F)C(F)F)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 477678259 HABVGKUTRFYRJV-UHFFFAOYSA-N 430.345 5.075 30 20 IKED CCc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)CCC2 478262048 YIWNNWCYXBHVNQ-OAHLLOKOSA-N 438.475 5.060 30 20 IKED C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1ccc(Sc2ccccc2C#N)cc1 480112971 XSPFNSGHKIICPE-ZOKDDAQRSA-N 434.586 5.280 30 20 IKED Cc1cc(=O)nc(-c2ccc(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)cc2)[nH]1 481150131 CLGKTKNNEOZSQC-UHFFFAOYSA-N 438.512 5.021 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2F)nnc1-c1ccccc1C 481368004 FAKAQTRWQUEJFQ-CQSZACIVSA-N 430.936 5.351 30 20 IKED CCC(CC)[C@@H]1C[C@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCO1 481653212 FOULSIMYLYPLJT-NOZRDPDXSA-N 435.568 5.437 30 20 IKED C=CCSc1ccccc1C(=O)Nc1ccc(Cl)cc1I 486425675 NLISIXHYMJXZPJ-UHFFFAOYSA-N 429.710 5.475 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)N(Cc3ccccc3)C(C)(C)C)o2)cc1 489786278 ZKVOQVHZMLWOII-UHFFFAOYSA-N 437.565 5.221 30 20 IKED CC(C)[C@@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 497647594 SMPNCLBDNKHVNW-DEOSSOPVSA-N 427.504 5.145 30 20 IKED Cc1cn(-c2ccccc2Cl)nc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 500467245 VWQYCLFUIFEBAB-KRWDZBQOSA-N 443.919 5.319 30 20 IKED CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCC2 501539021 VJDAHELZLMHFIW-LJQANCHMSA-N 449.601 5.392 30 20 IKED COc1cccc([C@@H](CNC(=O)Nc2ccc(C#N)cc2)c2c[nH]c3ccccc23)c1OC 503671562 QFNNQBCNWVUOSQ-JOCHJYFZSA-N 440.503 5.010 30 20 IKED CCN(C(=O)N[C@H](C)c1ccc(C#N)cc1)[C@H]1CCSc2ccc(Br)cc21 507332611 YMVNGDSKTWGLMH-KUHUBIRLSA-N 444.398 5.650 30 20 IKED C[C@@H](SCCCC1(C#N)CCOCC1)c1nc(-c2cccc(C(F)(F)F)c2)no1 508575819 FYPZCDFNLUFPKF-CQSZACIVSA-N 425.476 5.650 30 20 IKED CCN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 508583085 PAAHXIHYNIOXFD-INIZCTEOSA-N 447.476 5.542 30 20 IKED COc1ccc(Br)c(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1 513288240 AIZUSFYFSZELLL-UHFFFAOYSA-N 437.293 5.161 30 20 IKED Cc1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c(OCC(F)(F)F)c1 513476101 MUDPWYRWJBUCJW-UHFFFAOYSA-N 440.421 5.639 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NCC#Cc1cccc(F)c1 513917279 UNOAJSINIKOCIK-UHFFFAOYSA-N 444.890 5.022 30 20 IKED CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 513982984 KFAJGWKYDHMPRS-UHFFFAOYSA-N 430.552 6.019 30 20 IKED N#C[C@H](C(=O)c1cc(F)cc2nccnc12)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 515431181 QIJXHIPTRPIIJJ-TWXDKCPRSA-N 432.524 5.183 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2csc(-c3cccs3)n2)cc1 515653560 AZUSNVGZDNXYCZ-UHFFFAOYSA-N 431.542 5.769 30 20 IKED CCn1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nnc1-c1cccs1 518129947 HFJVWQSTEVEGFX-CQSZACIVSA-N 443.623 5.152 30 20 IKED CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccccc1Sc1ccccc1C#N 520638475 FCQQIQHLRLFRTA-UHFFFAOYSA-N 432.545 5.389 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(Br)s1 520817695 ILGPPVWZRVZANS-LBPRGKRZSA-N 441.441 5.777 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cnn(-c2ccc(Br)cc2)c1 521797656 RXQYRVDTYNLQSQ-CQSZACIVSA-N 441.354 5.281 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)[C@H](C#N)c2nc3ccccc3s2)c1 523997613 VDSTWBZEHNQGRF-KRWDZBQOSA-N 429.888 6.104 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)cc1 524830254 MSSYDHCFKANUMI-JOCHJYFZSA-N 445.475 5.171 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cnc(O)c4ccccc34)cc2Cl)c1 527291408 QNGGNCZYQRBZAT-UHFFFAOYSA-N 429.863 5.297 30 20 IKED Cc1ccc(C(=O)C2CCN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC2)c(C)c1 532764351 LREIQPUYOVBYFM-UHFFFAOYSA-N 449.620 5.039 30 20 IKED CCc1ccccc1N(C(C)=O)c1nc(CN(Cc2ccc(C#N)cc2)CC(C)C)cs1 533720102 GNIRUWOXLLAZPO-UHFFFAOYSA-N 446.620 5.920 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)[C@@H](OC3CCOCC3)c3ccccc3)cc2)c1 535388931 XKNAZFZNCCOCHT-VWLOTQADSA-N 428.488 5.226 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@H]3CCO[C@H]3c3ccc(F)c(F)c3)cc2)cc1 537249822 XHRAZKFNPRXYMH-ZEQRLZLVSA-N 434.442 5.083 30 20 IKED Cc1cc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)nn1CCC#N 538617606 VMFFNGJCVMIBIU-IBGZPJMESA-N 432.528 5.253 30 20 IKED N#CCCn1cc(CN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c(-c2ccccc2)n1 538721571 RQJMYOUGUSTLKM-QGZVFWFLSA-N 445.514 5.319 30 20 IKED N#Cc1ccc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1C(F)(F)F 541076570 AVLIADSYPXPBEP-UHFFFAOYSA-N 449.332 5.235 30 20 IKED CC(=O)Nc1ccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(Cl)c1 541092909 QLVDTQCMEWVOGI-OAHLLOKOSA-N 432.911 5.720 30 20 IKED CN(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ncccc1Br 542245231 GLDDQMWLQXRJLO-UHFFFAOYSA-N 442.700 5.438 30 20 IKED CC(C)C(=O)c1ccc([C@H](C)C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 549007047 NYTNOMBBSQXCLJ-RXFWQSSRSA-N 440.543 5.589 30 20 IKED C=C(C)Cn1c(C2CCC2)nnc1N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 555267350 WIVSGULJTOXKOA-SFHVURJKSA-N 438.963 5.209 30 20 IKED Cn1c(Cc2cccs2)nc2cc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)ccc21 557620123 XFOINBGLTHBVEO-UHFFFAOYSA-N 438.556 5.027 30 20 IKED COc1cccc(OC(F)(F)F)c1CNC(=O)Nc1ccccc1SC[C@H](C)C#N 558338539 FNIIOFUDLXHMMS-CYBMUJFWSA-N 439.459 5.167 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 558650089 UUPXGYMGKLKVOU-HSZRJFAPSA-N 430.939 5.091 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@](F)(c3ccccc3)C2)cc1 564345676 DDEFPLNNPCGJJV-AREMUKBSSA-N 429.495 5.434 30 20 IKED CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1 566574484 CVFHUIXDYVQOQU-AWEZNQCLSA-N 429.611 5.234 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)N(CC(C)C)c4ccc(C#N)cc4)cc3)o2)c1 603529921 UTORGRXNSREWMU-UHFFFAOYSA-N 436.515 5.887 30 20 IKED COc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1OCc1cccc(C(F)(F)F)c1 603633268 KEJBJQDAEGVDEZ-QGZVFWFLSA-N 440.465 6.015 30 20 IKED O=C(NCCSCc1ccccc1F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603685350 LPYPCAUAOPVXSD-WDNDVIMCSA-N 446.432 5.268 30 20 IKED Cc1nc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2)sc1SCC#N 603775788 RVEBCEXPEGCFPI-UHFFFAOYSA-N 429.954 5.552 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 603977710 NKLRYMUXWGKXKY-UHFFFAOYSA-N 447.494 5.495 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2csc(-c3cccnc3)n2)cc1 604003635 JPKFJZWQFLFVOQ-UHFFFAOYSA-N 440.528 5.031 30 20 IKED Cc1ccc(-c2noc([C@@H](C)Nc3cccc(OCc4cccc(C#N)c4)c3)n2)cc1F 604044260 IAWBLERJWVUKMS-QGZVFWFLSA-N 428.467 5.808 30 20 IKED Cc1cc(NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)ccc1OCC(F)(F)F 606585286 KHJSWBQYULUBCZ-UHFFFAOYSA-N 438.290 5.285 30 20 IKED O=C(Nc1ccc(CC(F)(F)F)cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 608320416 HSTUROBMIBTMCJ-QWRGUYRKSA-N 436.318 5.822 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)[C@H](NC(=O)c3ccccc3)c3ccccc3)c2)cc1 609176567 NIXPUSDPLCDUOT-AREMUKBSSA-N 447.494 5.460 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](c1ccccc1)N1CCc2ccccc21 609377827 OFSVABJMJBCNIJ-DFBJGRDBSA-N 427.573 5.681 30 20 IKED Cn1cc(-c2cncc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)c2)cn1 609407990 LFJMZSOMKCROGC-UHFFFAOYSA-N 429.867 5.052 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)s2)cc1 609589193 AMVYNVUUONHVBA-INIZCTEOSA-N 432.332 5.429 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccccc3OC[C@H]3CCCCO3)c2)cc1 609987275 PFHOUGNMTJZPIX-HSZRJFAPSA-N 427.504 5.502 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C3)cc2)cc1 610630437 GCWYXEZSVNOZKI-IAGOWNOFSA-N 443.347 5.555 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1c1ccccc1Br 610674489 WLPHBLOWEYDCIW-BEFAXECRSA-N 444.398 6.212 30 20 IKED C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 611556519 QSCBTXXOHRKKKY-VQIMIIECSA-N 431.458 5.526 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)c12 613292326 HQURZOVDSVEJPG-LJQANCHMSA-N 425.536 5.656 30 20 IKED CCCN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@@H]1CCCc2cccnc21 614137642 PGORUTOKJZJCPO-JOCHJYFZSA-N 427.508 5.462 30 20 IKED CC(C)(C)[C@H](NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1 616089775 FWZWXQMHQDRAED-XJKCOSOUSA-N 442.419 6.122 30 20 IKED CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)Nc2ccccc2C#Cc2ccccc2)CC1 673766046 AWFFBPDVSOMGKC-HHHXNRCGSA-N 443.591 5.121 30 20 IKED O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674430655 KPIMXHXBCNLJML-CHWSQXEVSA-N 448.329 5.119 30 20 IKED N#C[C@H](C(=O)c1cccn1Cc1ccncc1)c1nc2cc(C(F)(F)F)ccc2s1 726322615 NFODYYDZODAKEJ-OAHLLOKOSA-N 426.423 5.050 30 20 IKED C[C@H](NC(=S)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c1ccc(Cl)cc1Cl 726464514 MGCWZYYAXWFGMX-LBPRGKRZSA-N 446.325 5.865 30 20 IKED CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=S)Nc1ccc(C#N)c(Cl)c1 726474525 IGIRHQPKLCPNRB-UHFFFAOYSA-N 438.000 5.643 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726565189 FPUXWQWFRKAUKH-UHFFFAOYSA-N 447.485 5.225 30 20 IKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(C)ccc2C)cc1 726571273 QFAWDOVXBSOVMY-UHFFFAOYSA-O 448.999 6.002 30 20 IKED Cc1cc(/C=C(/C(=O)C(=O)O)c2ccc3ccccc3n2)cc(C)c1OCc1ccccn1 728156615 KLCOVOSVHZZFTD-PXLXIMEGSA-N 438.483 5.020 30 20 IKED Cc1ccc(Cn2nc(C)c(CCC(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c2C)cc1 730422440 XWSDJNJTBOHZBX-NRFANRHFSA-N 446.551 5.415 30 20 IKED COc1cc(C)c(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1OC 731319285 NVDJEIGAXZVXPT-JXMROGBWSA-N 440.496 5.189 30 20 IKED CC[C@H](C#N)Oc1cccc(CNCc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)c1 733801116 STPKWRVFLPSGLY-AREMUKBSSA-N 436.559 5.819 30 20 IKED COCCN(Cc1cc(Cl)ccc1OCC#N)[C@H](C)c1cccc(C(F)(F)F)c1 735310204 TUGOWOVMOVRGHK-OAHLLOKOSA-N 426.866 5.471 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCSC[C@H]2c2ccccc2)c1=S 738070633 UTKFSWTVKGUBMU-FQEVSTJZSA-N 438.622 5.023 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)c1C 739668441 DZSYHMRTBAPQSW-UHFFFAOYSA-N 444.897 6.073 30 20 IKED COc1ccc(OCc2nc(CNCc3cccc(-c4ccc(C#N)s4)c3)cs2)cc1 740012111 WOPKFKPVJOELMQ-UHFFFAOYSA-N 447.585 5.621 30 20 IKED O=C(O)COc1ccc(/C=C/C(=O)c2ccc(SC(F)F)cc2)cc1Br 742434421 INNPRRSPSKBULS-LREOWRDNSA-N 443.265 5.123 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCCOc1cccc(Cl)c1Cl 743443469 RWYWWNICSHYCCV-HNNXBMFYSA-N 429.303 5.534 30 20 IKED CC(=NNc1nc2cc(C(F)(F)F)ccc2s1)c1sc2nc(C)nc(C)c2c1C 743445350 QRIQSHRHXRHMIX-UHFFFAOYSA-N 435.500 6.081 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C(\C)c2ccccc2C(F)(F)F)cc1Cl 744033944 ZCTJAKZHMYUCHX-RZXPCSSPSA-N 436.817 5.118 30 20 IKED CC(=NNc1ncnc2sc(-c3ccccc3)cc12)c1cccc(N2CCOC2=O)c1 745588149 IURZSTMVGDFPDD-UHFFFAOYSA-N 429.505 5.151 30 20 IKED CC(C)[C@@H](OC(=O)c1c(F)c(F)cc(F)c1F)C(=O)Nc1ccccc1C(F)(F)F 748230980 RYTZVTPNSKWTCW-MRXNPFEDSA-N 437.311 5.082 30 20 IKED O=C(/C=C\c1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc(N2CCOC2=O)cc1 748584631 RFCZEPBGKYDYPK-LUAWRHEFSA-N 427.378 5.818 30 20 IKED N#Cc1ccc(Oc2ccc(OS(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)cc2)cc1 748654267 VLNQEPOGQYSKKS-UHFFFAOYSA-N 444.390 5.009 30 20 IKED C=CCC[C@H](NC(=O)N(C)Cc1nc(O)c2ccccc2n1)c1ccc(C(F)(F)F)cc1 750440471 AAUIZMVSKAQZIH-SFHVURJKSA-N 444.457 5.203 30 20 IKED CN(Cc1cccc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)c1)C(=O)OC(C)(C)C 754405179 PSAVCHBGMMSZRS-UHFFFAOYSA-N 434.323 5.484 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C/C(=O)c1ccc2c(c1)CCC(=O)N2C 754689897 NFZMIATUWCUUNT-ZRDIBKRKSA-N 433.939 5.007 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC[C@@H](O)c1ccc(C#N)cc1 754865964 JFYAJSCVEWRCEA-ORAYPTAESA-N 442.382 5.137 30 20 IKED Cc1ccc(-n2nc(Br)cc2C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cc1 756300185 MNSCTSZPDXQQFJ-CQSZACIVSA-N 429.343 5.013 30 20 IKED COc1cccc(-c2nn(C(C)(C)C)cc2/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)c1 759651856 CWWJYLQTPQRTJZ-JLHYYAGUSA-N 445.519 5.166 30 20 IKED COC(=O)C1C/C(=C/c2cnc(Cl)c(C)c2)C(=O)/C(=C\c2cnc(Cl)c(C)c2)C1 761485129 DICBVINWOAFFKX-DQCYIKBWSA-N 431.319 5.019 30 20 IKED CC(C)(C)OC(=O)N1CCc2c(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cccc21 767865760 QIPVHNKGVHPRGH-UHFFFAOYSA-N 444.535 5.177 30 20 IKED C[C@@H](C#N)Oc1ccc(CN2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1 768344985 BBNBSFYGOJDVGL-BTYIYWSLSA-N 432.351 5.277 30 20 IKED N#Cc1cc(/C=C2/CC3(CCOCC3)C/C(=C\c3ccc(F)c(C#N)c3)C2=O)ccc1F 770571447 DYDICQHINZXZOF-KFSYKRRRSA-N 430.454 5.335 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc(-c3ccccc3OC)cc2)ccc1OC 772978593 GGCXZMGDYYAUGD-XXBNENTESA-N 430.548 5.903 30 20 IKED CC(C)[C@@H]1C[C@@H]1C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 774270747 GJGLYVCEVMKTHT-BQBZGAKWSA-N 442.240 5.263 30 20 IKED CC1(C)OCC(C)(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CO1 775226549 FWVPGKTZJKZASF-CYBMUJFWSA-N 425.337 5.082 30 20 IKED Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(N[C@@H](C)c3ccc(C#N)c(F)c3)cc2Cl)n1 777654115 ZHVVEOBFWKZRCL-JKSUJKDBSA-N 439.922 5.537 30 20 IKED CC1(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCN(C(=O)OC(C)(C)C)CC1 779398485 YZVUVJRSVYJOPE-JOCHJYFZSA-N 448.567 5.253 30 20 IKED Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 780150923 IZMRGQMTAMKMFY-FQEVSTJZSA-N 436.515 5.450 30 20 IKED CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 780152670 GOYQYMKXNXDLEG-IBGZPJMESA-N 436.515 5.645 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 780154420 RWXBYEOZXDDTAI-IVZQSRNASA-N 441.314 6.043 30 20 IKED CCCc1c(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cnn1-c1cccc(C#N)c1 784471803 PSPPOYZZZQGDLO-UHFFFAOYSA-N 444.583 5.205 30 20 IKED CCc1cccc2c(CC(=O)[C@@H](C#N)C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)c[nH]c12 787047055 AHIFJPRBAWCNGQ-ORAYPTAESA-N 442.346 5.166 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cnn(C(C)(C)C)c2C)cs1 787186083 FDSADGHCCPORFB-FLIBITNWSA-N 426.517 5.123 30 20 IKED CCc1cccc2c1OC/C(=C\c1csc(N(C(C)=O)c3ccc(F)cc3F)n1)C2=O 794728057 MABLLPPVDKRFJH-OQLLNIDSSA-N 440.471 5.327 30 20 IKED COc1ccc(NC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)cc1OCC(F)(F)F 801661115 NOSZXRXGWVPYRI-OAHLLOKOSA-N 425.300 5.304 30 20 IKED C#CCOc1ccccc1-c1noc(-c2c(-c3cccc(Cl)c3Cl)noc2C)n1 809396276 ZZIGETJABLGZOL-UHFFFAOYSA-N 426.259 5.686 30 20 IKED C=CCNC(=S)/C(=C(/O)c1ccc(C(C)(C)C)cc1)[n+]1cc(O)cc(-c2ccccc2)c1 811722700 OXWCRIWFMMOMDL-UHFFFAOYSA-O 445.608 5.631 30 20 IKED Cc1sc2ncnc(SCCC(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)c2c1C 813214112 SUMKNQBZSWKABQ-ZDUSSCGKSA-N 436.484 5.081 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cnc(C(C)(C)C)nc1 814729168 DRCPJOXXCQEIBX-UHFFFAOYSA-N 437.956 5.057 30 20 IKED N#C[C@H](C(=O)Cc1cscc1Br)c1nc(-c2c(F)cccc2F)cs1 815925776 QLWMNLVSRRIZFL-SNVBAGLBSA-N 439.306 5.331 30 20 IKED CCOc1ccccc1-c1nnc(S)n1N=Cc1c(-c2ccccc2)[nH]c2ccccc12 839403887 WTACCFLFRIDZQH-UHFFFAOYSA-N 439.544 5.663 30 20 IKED Cn1cc(C#N)cc1-c1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1 904668517 LGFLTVJWSLDONH-UHFFFAOYSA-N 445.788 5.473 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@@H]1c1noc(-c2cccc(OCc3ccccc3C#N)c2)n1 904697168 AMLIQKYXNVIJPL-OAQYLSRUSA-N 446.507 5.259 30 20 IKED C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)[C@H](C#N)c1nc2ccccc2s1 915098165 JFUJTMLIVGIFEH-PWSUYJOCSA-N 435.730 5.356 30 20 IKED CCc1nc2ccccc2n1N=Cc1cc(Br)c(OC)c(Br)c1 915958777 WEDFJECYBAHPNL-UHFFFAOYSA-N 437.135 5.015 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1Cl 916137532 FBKNLGQFIZVMIO-XFXZXTDPSA-N 449.934 5.879 30 20 IKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(C2CC2)C1=O)Nc1ccccc1 916213214 BTUJGUGYSSQFTB-QGZVFWFLSA-N 434.348 5.116 30 20 IKED CC(C)(C)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 916846760 DWHIMVBZKNTWTG-HGZMWJMZSA-N 431.561 5.463 30 20 IKED CC(C)COc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 916904512 FKYBJLNOHHWVJY-JOCHJYFZSA-N 428.488 5.475 30 20 IKED CCCCOc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC 916941993 CPPIYCGTSLXDKA-KRWDZBQOSA-N 435.307 5.142 30 20 IKED CC(C)c1cccc(N=C2NC(=O)[C@@H](CC(=O)Nc3ccc(Cl)c(Cl)c3)S2)c1 917636937 VHPGVDPVUVRSEW-QGZVFWFLSA-N 436.364 5.365 30 20 IKED N#Cc1ccc(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(C(F)(F)F)c1 917737575 FQNSYBDLQXJICW-IBGZPJMESA-N 441.434 5.033 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)cc2)CCC1 1785792277 SVWZOVBKJBBULX-UHFFFAOYSA-N 433.939 5.373 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cn(C)nc3C(F)F)CCC2)cc1 1785842381 YRBCRWKCGGLQRX-UHFFFAOYSA-N 444.526 5.098 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)CCC4CCCC4)cc3)CCC2)cc1 1787619604 OQHMRXWTNFDEAH-UHFFFAOYSA-N 429.564 5.471 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc5occ(Cl)c5c4)cc3)CCC2)CC1 1790090261 PZYLSEVYMKYWLS-UHFFFAOYSA-N 433.895 5.138 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](F)c4ccccc4)CCC3)cc2)c1 1790255831 SYQNZZDSPFPGNG-HSZRJFAPSA-N 427.479 5.017 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4nc(C)ccc4c3)CCC2)cc1 1791247898 LTZKDAQYGUFDRC-SFHVURJKSA-N 427.548 5.503 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)cnc3OCC)CCC2)cc1 1791249295 PBGQNZPVMUTYHJ-INIZCTEOSA-N 441.959 5.094 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)sc1Cl)C2 1798333553 APQYNCLCILWMQH-LXTVHRRPSA-N 427.397 5.075 30 20 IKED CC[C@H](C)[C@@H](C(=O)N1CCCC2(CCN(C(=O)[C@@H](S)C(C)C)CC2)C1)c1ccccc1 1809151043 AELDRTHKKYYISA-WWNPGLIZSA-N 444.685 5.002 30 20 IKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)c(Cl)cc3C)[nH]n2)C1 1814397383 HECJCYIQUABMNR-IBGZPJMESA-N 447.366 5.297 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(F)ccc3s2)n[nH]1 1819078919 QELQOWJXPSIAJF-RDTXWAMCSA-N 440.544 5.282 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cccc(C)c3[nH]2)[nH]n1 1819307191 PPKKGULVGCMUGG-SIKLNZKXSA-N 445.567 5.274 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)c(Cl)cc3C)n[nH]2)C1 1821335462 BUXRKZHKAGCWHY-IBGZPJMESA-N 447.366 5.297 30 20 IKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)c2ccc(Cl)cc2)[nH]n1 1822579256 CVHNTSSLFCGRFW-DYESRHJHSA-N 440.975 5.053 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](CCC)n2cccc2)CC1 1824141666 ZITGGMOVOYGYKS-DQEYMECFSA-N 439.644 5.217 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1828829565 JLAIPDMBGPBGFZ-LPPUWEFUSA-N 447.623 5.315 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1 1828831061 UIVWUTCWFDNIHI-DYRSJPJJSA-N 426.645 5.201 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)c(F)c2)CC1 1829068578 FWBIDLMRHPMWNJ-JOCHJYFZSA-N 432.555 5.191 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cnc2Cl)CC1 1829198680 RJXQGZOOYJQELD-HXUWFJFHSA-N 449.998 5.100 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)CC1 1830189437 XLAQATRKLALDAL-ZEQKJWHPSA-N 447.623 5.099 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(C)(C)C)oc2C)CC1 1831371888 ODMNGAWFXMKTGC-PGRDOPGGSA-N 428.617 5.331 30 20 IKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)cc3)CC2)C1 1832699306 YQDVKTLDQJLHGF-HHHXNRCGSA-N 442.603 5.553 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)CCc2ccc(C)c3ccccc23)C1 1847153135 OTOSYLLNRUDNAO-HSZRJFAPSA-N 430.592 5.053 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1(c2cccc(Cl)c2)CCCC1 1847533347 KVBPNPVSBBNBKE-GOTSBHOMSA-N 441.015 5.122 30 20 IKED C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1ccc(Cl)cc1Cl 9825824 RKGKXJXEPMSYOW-SUMWQHHRSA-N 439.412 5.225 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(N(C)C)cc2)cc1 10173536 MBOUTGMWOXFBQA-UHFFFAOYSA-O 432.613 5.270 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)Nc1ccc(C)c(C)c1 11161554 VADXWVZGIWPLAY-UHFFFAOYSA-O 431.625 6.130 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(C(C)C)cc2)c1 11262999 VRZQLZMKLRANII-UHFFFAOYSA-O 425.524 5.735 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2)[n+]2ccc3c(c2)CCCC3)s1 22730528 UGRQHHRMMFUFAY-UHFFFAOYSA-O 425.574 5.413 30 20 IKED N#CCSc1ccccc1C(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 24351992 JEGWZKRCMZEETP-UHFFFAOYSA-N 439.334 6.109 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3cccs3)no2)nc2sc3c(c2c1=O)CCC3 26022687 APWWWEODMOPTEV-LLVKDONJSA-N 442.591 5.098 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(Cc2cccs2)n1C1CC1 26757102 KUZBYCCTJQNBGW-HNNXBMFYSA-N 444.651 5.022 30 20 IKED CC[C@@H](C)c1ccc([C@H](NC(=O)c2cc(C#N)c(SC)nc2O)c2cccs2)cc1 31892889 MDVCNYMCLQDCEP-VLIAUNLRSA-N 437.590 5.475 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nc2sccc2c1=O 36800025 PIZYMJJPMMNVAX-SNVBAGLBSA-N 440.377 5.070 30 20 IKED CCCn1c(SCC(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1cccc(C)c1 255936719 CZZZBAQNTQXDDG-UHFFFAOYSA-N 447.608 5.319 30 20 IKED COc1cccc2sc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)nc12 301944025 DTLHMXNHZSYUQT-UHFFFAOYSA-N 431.542 5.721 30 20 IKED COc1cc(-c2nnc(SCCCCC#N)n2C2CCCCC2)cc(OC)c1OC 409609892 YMGSEOXGASZBTG-UHFFFAOYSA-N 430.574 5.262 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1-c1ccccc1 428909389 CGRFTQFKCQZRJW-UHFFFAOYSA-N 441.516 5.030 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCCC[C@H]1c1ccc(F)cc1F 432018050 FKOWNSLKNKGIAA-KKSFZXQISA-N 429.536 5.382 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(F)c1Br 432880250 NMVAOINPFABPKK-UHFFFAOYSA-N 425.257 5.813 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)Nc2ccc(NC3CCOCC3)cc2)cc1F 438671673 YXWYLLDZPHMGMI-UHFFFAOYSA-N 446.482 5.725 30 20 IKED Cc1ccc(CN(C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C(C)C)s1 438719309 SRAUDMNMWPFYFZ-UHFFFAOYSA-N 433.533 5.096 30 20 IKED Cc1cncc(N(Cc2ccccc2Br)C(=O)C[C@@H](CC#N)c2ccccc2)c1 441409502 BMQUWXWCWPGXLF-HXUWFJFHSA-N 448.364 5.773 30 20 IKED C=CCC[C@H](NC(=O)CCCc1nc(O)c2ccccc2n1)c1ccc(C(F)(F)F)cc1 441584716 AADPPSDTQAROLZ-IBGZPJMESA-N 443.469 5.501 30 20 IKED Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(C)C 441875090 SGMMFNDVNSCZHK-XMMPIXPASA-N 445.494 5.250 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)cc1 442864517 RSFFKMUKZNRIHB-OAHLLOKOSA-N 447.394 5.236 30 20 IKED Cc1c(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cnn1-c1ccc(Br)cc1 443877120 JXGUUGBFCHSPDW-UHFFFAOYSA-N 449.230 5.086 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(C(=O)Nc3cc(C#N)ccc3C)C2)n1 446123011 QOXFAIZTHLVJLN-SFHVURJKSA-N 432.549 5.410 30 20 IKED CCCc1c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cnn1-c1cccc(C)c1 446989579 MZZFRXAUHONJEP-UHFFFAOYSA-N 437.503 5.445 30 20 IKED N#Cc1cnc2ccccc2c1N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 462881482 OLQAKKJOCIAULA-UHFFFAOYSA-N 425.319 5.268 30 20 IKED C[C@@H](CC(F)(F)F)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 464465331 JADDLORDGFBGNX-FRYLAUTCSA-N 439.362 5.566 30 20 IKED CC(C)Oc1ccc(-c2nc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cs2)cc1 464944659 XUHVNQFRAUXGDW-GMAHTHKFSA-N 431.561 5.509 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)n1 474451565 YSGUCKKDORTFEU-ZDUSSCGKSA-N 438.862 5.614 30 20 IKED C=CCN(C(=O)CSc1ccncc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 476162845 OUZKKLDCOHCKLV-UHFFFAOYSA-N 436.389 5.823 30 20 IKED C[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 476613669 TYECGCRZKLEBKY-IQMYEBEASA-N 449.313 5.449 30 20 IKED CCCN(C[C@@H]1CCCCO1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 480600691 JMOORKGYUDKDEZ-NRFANRHFSA-N 425.504 5.089 30 20 IKED CCN(C(=O)Nc1cc(C)n(CCC#N)n1)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 480919408 GLBJIFSCTCWNHH-LJQANCHMSA-N 431.540 5.396 30 20 IKED Cn1cccc1CNC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482327073 HAAWJASNFOCNKB-CYBMUJFWSA-N 447.301 5.166 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NCc3ccc(N4CCCCCC4)nc3)c2)cc1 484703081 FNWWBMFHLIFIAJ-UHFFFAOYSA-N 426.520 5.056 30 20 IKED N#CCCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)C12CC3CC(CC(C3)C1)C2 486586980 NKFQBQXGKVDLKG-UHFFFAOYSA-N 429.520 5.055 30 20 IKED Cc1c(-c2ccccc2)sc(NC(=O)c2ccc(C#N)s2)c1C(=O)N1CCCCC1 487227317 DQIVJNDXQQMVHU-UHFFFAOYSA-N 435.574 5.535 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(O)c3c(C)c(C)sc3n2)nnc1-c1ccc(C)cc1 489631462 HNTSWOBABGXBKL-HNNXBMFYSA-N 437.594 5.620 30 20 IKED O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C\c1cc(C(F)(F)F)ccc1F 499198560 WLFTVCUEAGTMPI-JXMROGBWSA-N 428.307 5.518 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)Nc3cc(C#N)ccc3OC(C)C)s2)c(F)c1 503173233 PLTQGEAZZONSLQ-UHFFFAOYSA-N 425.485 5.177 30 20 IKED CC(C)c1c(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)cnn1-c1ccc(C(F)(F)F)cn1 505797592 WEJQXSPFILXEEQ-KRWDZBQOSA-N 447.848 5.058 30 20 IKED Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)n2)n1 507889979 PNMCIIVDXTUXMD-UHFFFAOYSA-N 443.894 5.454 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccccc1F)C(C)C 509996649 HARLSMCMPKWOKO-UHFFFAOYSA-N 431.511 6.027 30 20 IKED Cc1onc(-c2cccnc2)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 510810007 CHGXMCMITCBZGU-UHFFFAOYSA-N 444.878 5.401 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[C@H](n3ncc4ccccc43)C2)c1 510925625 AOUTVPRGGLQYAL-IBGZPJMESA-N 442.906 5.441 30 20 IKED C=CCOc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)c1 511327414 UPCREBHZVFCAIT-UHFFFAOYSA-N 436.508 5.374 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(F)c2ccccc12 511812777 ZWLCCLBESMNVRL-HZPDHXFCSA-N 435.524 5.189 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCNC(=O)c2ccc(F)cc2)cc1Cl 512194260 HJASTRJEVKIHOP-QFIPXVFZSA-N 449.913 5.283 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 512544515 NGJBGIOAEHPBHB-UHFFFAOYSA-N 426.398 5.428 30 20 IKED C[C@@H](C#N)CN(C)C(=O)c1cc(/C=C/c2cccs2)nc2ccc(Br)cc12 512856079 JUBBGLNDBSCMGU-UZYOAWRESA-N 440.366 5.461 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 521089913 XHCDGFNGMSPNAN-DEOSSOPVSA-N 440.934 6.087 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 522603518 ZRPRQRMSHYJXBZ-YTTGMZPUSA-N 445.588 5.450 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1)C(C)C 522643998 ALPPKNMFEXTERX-UHFFFAOYSA-N 441.531 5.146 30 20 IKED C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ncc(-c2ccccc2)o1 523551020 HWSITNBURFFPOB-HNNXBMFYSA-N 429.505 5.143 30 20 IKED Cn1ccc2c(NC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)cccc21 525884257 RSCJXCWBIIOJSZ-UHFFFAOYSA-N 444.878 5.073 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(Br)cc1 530986372 QMCUUUNTUKYMLN-BEFAXECRSA-N 444.398 6.212 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1 534221958 AWFMKXKKOVCSDY-UHFFFAOYSA-N 428.404 5.001 30 20 IKED CCCN1C(=O)CCc2cc(NC(=O)c3cccc(COc4ccccc4C#N)c3)ccc21 536941272 HPHYTRJKJKPSCP-UHFFFAOYSA-N 439.515 5.079 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(F)c(OC(C)C)c(F)c2)cc1C 543132987 GIGKAEXLYBDGDZ-UHFFFAOYSA-N 438.478 5.398 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 543351378 IUZBWLFITPOVPO-QVKFZJNVSA-N 447.457 5.217 30 20 IKED Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)N3CCC(CC#N)CC3)c12 543839635 ZENVQHGUJVSKBG-UHFFFAOYSA-N 441.560 5.223 30 20 IKED N#CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2cccs2)CC1 549958252 JOSSCKJCUMZIHU-UHFFFAOYSA-N 430.002 5.074 30 20 IKED C[C@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 550249544 TWJRWJUNGYBTSZ-QGZVFWFLSA-N 440.478 5.037 30 20 IKED Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 550303375 AYMYOYLRIZKNBE-NSHDSACASA-N 434.315 5.312 30 20 IKED C=C(C)Cn1c(S[C@@H](C)c2nnc(-c3ccccc3F)s2)nnc1-c1ccncc1 551087938 VDHKOUYXKBVYGL-AWEZNQCLSA-N 438.557 5.427 30 20 IKED Cc1c(C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)sc2ccc(C#N)cc12 559881799 DYTLNCBAHSGLMP-PMERELPUSA-N 436.602 5.915 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(Oc3cccnc3)nc2)cc1 559956698 PIEJEGZRNHSEQZ-UHFFFAOYSA-N 426.407 5.324 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1c(Cl)cc(Cl)c2cccnc12 561400248 KMIRCAMNCSCUPZ-CYBMUJFWSA-N 446.359 5.953 30 20 IKED CC(C)(c1ccc(OC(F)(F)F)cc1)c1noc([C@@H](C#N)Cc2ccc(C#N)cc2)n1 572078969 XIAHGVYFVUMJOB-MRXNPFEDSA-N 426.398 5.016 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3Cc4ccccc4-c4ccccc4C3)cc2)ccn1 573886703 BUQMVCWXRYVXHO-UHFFFAOYSA-N 432.483 5.960 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)Nc3cc(C(=O)Nc4ccccc4)ccc3Cl)CC2)c1 576545378 KMZAUENLULWLNP-UHFFFAOYSA-N 433.870 5.273 30 20 IKED N#CC(CCn1cnc2ccc(Br)cc2c1=O)(c1ccccc1)c1ccccc1 577435775 RWLDHCKZPPOEAW-UHFFFAOYSA-N 444.332 5.059 30 20 IKED Cc1cc(CNC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc(N2CCCC2)n1 583473671 XPYBLWCDKZIESU-HXUWFJFHSA-N 439.563 5.089 30 20 IKED C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 589047895 ZMJIJHQTEUMYSN-VIFPVBQESA-N 441.299 5.314 30 20 IKED O=C(CCc1ccc(OC(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 589320242 GXIDYJUWDZQEPK-RYUDHWBXSA-N 437.302 5.107 30 20 IKED CCCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)[nH]c(C)c1C(C)=O 590234801 ISIFSQOYNDYDCI-UHFFFAOYSA-N 429.520 5.490 30 20 IKED CCCCSc1nnc(S[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)s1 598769761 SMQWOZNOVSALEP-INIZCTEOSA-N 434.656 5.475 30 20 IKED FC(F)Oc1cccc(Cl)c1CNC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 602902475 MKIJWWNVBRUEPA-RKDXNWHRSA-N 425.747 5.941 30 20 IKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603690126 JCRMJIQEMBCHCK-OAHLLOKOSA-N 429.505 5.580 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)COCc2nc3ccccc3s2)cc1 604003936 SRUCQEWFSOITIM-UHFFFAOYSA-N 443.528 5.097 30 20 IKED CSc1nc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c2ccccn12 609060371 BHLSCBVUIZKJDI-UHFFFAOYSA-N 428.517 5.068 30 20 IKED CCCC(=O)Nc1ccc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 609434186 BODZAZIMKNWCJT-UHFFFAOYSA-N 428.492 5.411 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccnc(OCC(F)(F)F)c1 610174236 QGYLEDOCTYXXDE-UHFFFAOYSA-N 441.409 5.034 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@H](CC2CC2)c2ccccc2)cc1F 610382246 NQEQLSRPWWTGMY-JOCHJYFZSA-N 443.478 5.086 30 20 IKED O=C(Cc1csc(-c2cccc(F)c2)n1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618297583 KWEJGQNIHMGSGG-RYUDHWBXSA-N 440.384 5.081 30 20 IKED CC(C)(C)C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)cc1 618555494 RJYFDAKNRZAJRZ-DZKIICNBSA-N 442.419 6.075 30 20 IKED C=CCN(C(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1)c1nc2c(s1)CCCC2 623331614 WOPIXMSFNHTVSN-UHFFFAOYSA-N 448.617 5.623 30 20 IKED CCOc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc(OCC)c1OCC 642282613 LCAYQBIIDNOXDH-OAHLLOKOSA-N 443.450 5.118 30 20 IKED O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 679383402 BKRFZZOUBRBWAM-HLLBOEOZSA-N 438.387 5.534 30 20 IKED C[C@H](CC(F)(F)F)NC(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 680990610 OCKKBKGEOOEBNQ-MRVPVSSYSA-N 442.278 5.031 30 20 IKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(C)c(C)c2)cc1 726571460 KKYLCSDIHMTILR-UHFFFAOYSA-O 434.972 5.748 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1oc2ccc(CCC(C)=O)cc2c1C 726755682 UBKMANVWSZFWNF-UHFFFAOYSA-N 425.488 5.012 30 20 IKED Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 728270053 GCFBNNTZMWYDBW-UHFFFAOYSA-N 440.547 5.199 30 20 IKED C[C@@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)N1CCC[C@@H]1c1cccs1 728669285 NPHSWPJZQNNAPA-VGOFRKELSA-N 446.528 5.321 30 20 IKED CC[C@@H](Oc1ccccc1C(C)C)C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 730073773 SSRUMQLSGWPHAO-IFMALSPDSA-N 434.561 5.976 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1 730397057 WTLGBBKVGWYDNV-QFIPXVFZSA-N 449.441 5.604 30 20 IKED N#C[C@@H](C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1nc2cc(F)ccc2s1 730416553 FUFIHGBMMVKCMJ-HNNXBMFYSA-N 440.887 5.338 30 20 IKED COc1ccc(-c2nc(C(=O)N3CCCSC3=Nc3ccccc3)cs2)cc1OC 730599333 QWHDDGLRWKMGAL-UHFFFAOYSA-N 439.562 5.094 30 20 IKED N#C[C@H](C(=O)c1sccc1SC(F)F)c1nc2cc(C(F)(F)F)ccc2s1 730689623 HXXRKAOPBOXBQL-MRVPVSSYSA-N 434.436 6.181 30 20 IKED C[C@@H](NC(=O)c1ccccc1NC(=O)CCCCOc1cccc(C#N)c1)c1ccccc1 731958454 PPDQXJMZMSHVEW-HXUWFJFHSA-N 441.531 5.237 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)ccc1OC 733231891 KJDLYFCZQUXNSI-NRFANRHFSA-N 440.971 5.548 30 20 IKED CC[C@H](C#N)Oc1cc(CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ccc1OC 733302500 XZFWWOBJVCKSKV-GFCCVEGCSA-N 443.809 5.569 30 20 IKED COc1cc(NC(=O)Nc2cccc(OCCCC#N)c2)ccc1NC(=O)OC(C)(C)C 733621977 ISPUIVPFQAHBCJ-UHFFFAOYSA-N 440.500 5.369 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3cc(-c4ccccc4)on3)cc2Cl)c1 736013366 RKZCWRHEMQCEDD-UHFFFAOYSA-N 443.890 5.627 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Nc3cccc(NC(=O)c4ccoc4)c3)c2)s1 740444925 SMQGQQOJVYKEHG-UHFFFAOYSA-N 442.500 5.454 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 747205361 UBGQQMONPZXRCR-QGZVFWFLSA-N 433.826 5.248 30 20 IKED C[C@H](SCc1cccc(OC(F)F)c1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 750006525 ISFGQSVLBORNNM-ZETCQYMHSA-N 427.341 5.244 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3c(-c4ccccn4)nc4ccccn34)c2)cc1 751303053 SWBZOMXPJCUKKY-UHFFFAOYSA-N 431.455 5.313 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2csc(-c3ccccc3Cl)n2)cc1C#N 752204182 LTNFMYNEUXBDQR-UHFFFAOYSA-N 426.885 5.156 30 20 IKED CN(C(=O)c1ccccc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)C1CCCCC1 752647979 IRMLAZVTQDFHBN-ZCYQVOJMSA-N 444.579 5.395 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)n2)c1 752858756 LDOAYLOFOYPZPV-UHFFFAOYSA-N 444.130 5.943 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(CCCO)[C@H]2CCCc3ccccc32)cc1 754437400 QXZOPZIQROSGQH-SVBPBHIXSA-N 439.559 5.636 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)cc1C#N 756472859 ZTXVFFGWBCUOIW-AWEZNQCLSA-N 429.546 5.240 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](OC3CCOCC3)c3ccccc3)n2)cc1 759213400 MTQNBPORNLTNQX-URXFXBBRSA-N 432.545 5.232 30 20 IKED Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 761848140 SIHOGAWKZIZHPP-XMMPIXPASA-N 431.923 5.793 30 20 IKED N#C[C@@H](C(=O)CCCc1cc(F)ccc1F)C(=O)Nc1ccccc1Oc1ccccc1 762026199 RGAXXFIUSWZEGV-FQEVSTJZSA-N 434.442 5.427 30 20 IKED C=CCN(Cc1cccs1)C(=O)NCc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 763640810 XGSQYHGFUBQMHF-QGZVFWFLSA-N 429.586 5.232 30 20 IKED N#CCCCn1cc(C(=O)OCC(=O)Nc2ccccc2SC(F)F)c2ccccc21 769545695 YKMGEIZRSRYIFD-UHFFFAOYSA-N 443.475 5.055 30 20 IKED CCOc1cc(/C=C/C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1O 770484428 ACQVLIAJLQKKDR-ACCUITESSA-N 430.479 5.044 30 20 IKED C=CCOc1ccc(/C=C\C(=O)O[C@H](C)c2nnc(-c3ccccc3F)s2)cc1OC 781899567 USEVODGYUKPQQW-KUGGDMIFSA-N 440.496 5.235 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(C(F)(F)F)c(F)c1 784252178 MNBVOUXULFWCPP-LBPRGKRZSA-N 440.418 5.034 30 20 IKED CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)[C@@H](C#N)c1cnc2ccccc2n1)OCC3 792110041 KODOZWKKXCSBGY-CCLHPLFOSA-N 438.531 5.118 30 20 IKED COc1ccccc1-c1ncc(/C=C\C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1 792869032 IRFMJQUTWGUWSB-KHPPLWFESA-N 443.484 5.685 30 20 IKED COC(=O)Nc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1C 798029453 TYIZCHVKLVNSLG-UHFFFAOYSA-N 446.482 5.418 30 20 IKED C=CCCc1ccccc1NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1 800153141 WIRBBFOGLQPBOP-FQEVSTJZSA-N 443.975 5.757 30 20 IKED Cc1cc(Br)cc(C)c1NC(=O)CCCOC(=O)c1cc(C#N)ccc1Cl 803835022 AYISINPBBFUSCG-UHFFFAOYSA-N 449.732 5.167 30 20 IKED CC1(C)CC[C@@H]1N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccsc1 807938930 JSPLKHZLEBBKOG-SJORKVTESA-N 431.558 5.036 30 20 IKED Cc1ccc(O[C@H]2CCN(C(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)C2)nc1 858060058 QQDVQWCIYPGUAE-IBGZPJMESA-N 433.895 5.001 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1oc2ccc(Cl)cc2c1C 916901274 CQKQUPDFARHMHT-CQSZACIVSA-N 431.275 5.326 30 20 IKED C[C@@H](Sc1ccccc1Cl)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916931373 JVAGBVCMKVVCEO-ZYHUDNBSSA-N 427.740 5.475 30 20 IKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2cccnc2)n(-c2ccccc2)c1=S 917457549 KCEBUROZYHIGFR-UHFFFAOYSA-N 440.576 5.207 30 20 IKED CCc1cc(C#N)c(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)s1 917877994 HDBPIVFLKWQZCS-UHFFFAOYSA-N 443.528 5.667 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3cccc(C(F)(F)F)c3)n2)cc1 920141969 JIEZCSRGTGVKJQ-KRWDZBQOSA-N 448.491 5.806 30 20 IKED COc1cc(C=NNc2cc(F)cc(F)c2)ccc1OCC(=O)Nc1ccccc1Cl 920376121 CIWKEQQMIHNXAM-UHFFFAOYSA-N 445.853 5.090 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)c2nnc(-c3cccs3)o2)cc1C 920894057 WDVBBDYRJIXXLP-INIZCTEOSA-N 447.520 5.110 30 20 IKED CC(C)Oc1cccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 921133710 XCZDJMFGQSWVCA-SFHVURJKSA-N 445.371 6.323 30 20 IKED Cc1ccc(Cc2sc(NC(=O)CSc3nc4c(cc3C#N)CCCC4)nc2C)cc1 1165464275 ZEPVPDQLHKBEKV-UHFFFAOYSA-N 448.617 5.227 30 20 IKED Cc1cc2cc(C(=O)NC3(c4ccc(NC(=O)[C@H](S)C(C)C)cc4)CCC3)ccc2[nH]1 1786395325 ZEJUTSZFQDVZKN-JOCHJYFZSA-N 435.593 5.178 30 20 IKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)c[nH]1 1788815898 ZASIFALWFWMZAU-UHFFFAOYSA-N 435.644 5.122 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3nc4ccccn4c3C)cc2)CCC1 1788936061 UNEXANYOAKAJOG-QFIPXVFZSA-N 442.563 5.159 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)cc3C(F)(F)F)CCC2)cc1 1791588388 LGRWTZUFHBLOEI-UHFFFAOYSA-N 434.433 5.097 30 20 IKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC(c2ccc(Cl)cc2)CC1 1793211135 NMGLGZCLRFAUIH-KIJMKMAZSA-N 443.031 5.464 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCCCC(C)(C)C)c1 1801833785 XIPYYDDHIXPXLY-OUJCMCIWSA-N 437.628 5.562 30 20 IKED Cc1ccc2cc(C(=O)N3CCC4(CCCN(C(=O)[C@@H](S)C(C)C)C4)CC3)sc2c1 1806067153 IVRGDEMYEDPKOP-NRFANRHFSA-N 444.666 5.009 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)Cc3cc(F)ccc3Cl)C2)CC1 1806549790 AEFIMEBYUPMSDE-NRFANRHFSA-N 446.994 5.021 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(F)cccc2Cl)[nH]n1 1819308036 TVOXTSBQVOPMPZ-KXBFYZLASA-N 444.938 5.277 30 20 IKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C(C)(C)C)oc2C)[nH]n1 1821985428 OQPPGGMZYMAMDV-KRWDZBQOSA-N 448.514 5.126 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823212557 VPTZUXNPRDPCPD-MBSDFSHPSA-N 445.567 5.111 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1823755223 OEFJOHCIHKBWAG-PXDATVDWSA-N 449.639 5.539 30 20 IKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)c2ccc(Cl)cc2)CC1 1823977205 MUZCKYNTVQKCMG-HYBUGGRVSA-N 443.031 5.257 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2c(C)c[nH]c2C)CC1 1824272628 CDGZFAOFDWWHLA-DEOSSOPVSA-N 441.660 5.176 30 20 IKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1831860654 VRQCJVFESQOTJK-QHCPKHFHSA-N 445.563 5.237 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2cccc(CC)c2)cc1 10174521 WSDUTRXDPCGVJO-UHFFFAOYSA-O 430.018 5.865 30 20 IKED O=C(/C(=C(/S)Nc1ccccc1C(F)(F)F)[n+]1ccccc1)c1ccc(F)cc1F 11157289 MRBBLNIHOMCMGU-UHFFFAOYSA-O 437.413 5.322 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccc(C(C)C)cc2)cc1 11262379 VBPYFFMNHOBBKJ-UHFFFAOYSA-O 438.016 6.364 30 20 IKED CCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2cccc(C)c2)cc1 11268836 BHNHOCWOLXMFQZ-UHFFFAOYSA-O 434.585 5.043 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(CN2CCCCC2)c1 27142148 AQNMXKQUACJEGL-UHFFFAOYSA-N 427.573 5.948 30 20 IKED C=CCn1c(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)nc2sccc2c1=O 36800089 POJLMIRJVMFWCE-UHFFFAOYSA-N 441.622 5.622 30 20 IKED C=CCn1c(SCC(=O)Nc2cccc(Oc3ccccc3)c2)nnc1-c1ccoc1C 60384076 ZNPVJOTVCFXCKC-UHFFFAOYSA-N 446.532 5.556 30 20 IKED C=CCN(Cc1nc(-c2ccc(OC(F)F)c(OC)c2)no1)Cc1ccc(Cl)s1 61758860 UYBITKBJFDRWCX-UHFFFAOYSA-N 441.887 5.250 30 20 IKED COCc1c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)sc2cccc(F)c12 106116100 RECKHBZEMUYVRH-UHFFFAOYSA-N 447.491 5.807 30 20 IKED C=CCCc1ccccc1NC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 410345839 RQXNDERBNNUYCG-UHFFFAOYSA-N 442.943 6.472 30 20 IKED COc1ccc(-c2ccc(CNC(=O)c3cnn(CCC#N)c3-c3ccccc3)s2)cc1 428614651 GTFYLYCTKXLQBE-UHFFFAOYSA-N 442.544 5.131 30 20 IKED N#CCC[C@H](NC(=O)N1CCC(Nc2cccc(Br)c2)CC1)c1ccccc1 434279007 XLFWRACKZQJZEH-NRFANRHFSA-N 441.373 5.080 30 20 IKED CN(C(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1cc(Cl)ccc1C#N 436004708 WOPFYOZOGJPVEG-UHFFFAOYSA-N 442.700 5.438 30 20 IKED CC(C)CCOc1cccc(NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 438771518 CCDYCVKPFHOHRY-KRWDZBQOSA-N 425.554 5.083 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2cccc(Sc3cccc(Br)c3)n2)n1 442595703 GSNKITVUHCJEPM-AWEZNQCLSA-N 430.352 5.250 30 20 IKED N#Cc1ccc(C(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)cc1O 442962127 CHESAVINSSAEGL-UHFFFAOYSA-N 445.862 5.404 30 20 IKED CCO[C@H](C)c1nc(CN2CCN(c3c(C#N)cnc4ccc(C(C)C)cc34)CC2)cs1 447671758 RIQJWYUSJZXVJO-GOSISDBHSA-N 449.624 5.106 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)c1cccc(CC#N)c1 460651107 RXOQHNCEZUTTHW-UHFFFAOYSA-N 426.495 6.050 30 20 IKED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@@H](C)c1sc(-c2ccccc2)nc1C 460790560 MNYGMKFDSKMZJR-XKGZKEIXSA-N 437.613 5.581 30 20 IKED N#CCCCOc1cccc(NC(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)c1 463297251 ZXHRMNQBTAPNCJ-UHFFFAOYSA-N 442.450 5.478 30 20 IKED Cc1nn(C)c(Sc2ccccc2)c1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 463634099 JSHVBNYCYYWYHP-UHFFFAOYSA-N 445.573 5.051 30 20 IKED Cc1ncsc1-c1nc2ccccc2n1CC(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 463759315 HFRGTUQRNJQCKU-HXUWFJFHSA-N 443.576 5.147 30 20 IKED COc1cc2c(cc1NC(=O)c1ccc(Oc3ccccc3C#N)c(Cl)c1)NC(=O)CC2 464258149 MPKLBBDXVAEEAA-UHFFFAOYSA-N 447.878 5.150 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)Cc2nccn2Cc2ccccc2)cc1 464793656 JOCPNWFDKRFYGR-UHFFFAOYSA-N 436.515 5.176 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCCC[C@H]3c3ccc(F)cc3)ccc21 470537450 KJDLMIHVFDWKNY-QFIPXVFZSA-N 434.515 5.168 30 20 IKED C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1nc(C(F)(F)F)cs1 470577932 YUQOMTNGAONINB-GFCCVEGCSA-N 433.480 5.676 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)C[C@H](CC#N)c2ccccc2)nc1-c1ccccc1 476069663 BOZZWVZJGKQPRE-XZOQPEGZSA-N 427.548 6.216 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 476082083 WBXYWRYNUAASDN-UHFFFAOYSA-N 426.507 5.308 30 20 IKED N#Cc1cc(C(=O)N2CCC(=Cc3cc(Cl)ccc3Cl)CC2)cnc1C(F)(F)F 477514481 RPTZSGPXLDRTTD-UHFFFAOYSA-N 440.252 5.598 30 20 IKED C[C@H](CC#N)NC(=O)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 479967445 XKFSJLCQYCSNEH-SECBINFHSA-N 436.381 5.195 30 20 IKED C=C(C)Cn1c(SCC(=O)N2CC[C@H](C)Sc3ccccc32)nnc1-c1ccco1 480417149 NQDYFYGMKYLOBR-INIZCTEOSA-N 440.594 5.124 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2NCCC)nnc1-c1ccc(Cl)cc1 480541270 PAIFROCYBWSLHB-UHFFFAOYSA-N 441.988 5.337 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@]3(C2)OCc2ccccc23)cc1 482471481 CIRTXUVKSAZRQM-HHHXNRCGSA-N 440.568 5.512 30 20 IKED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H](C)c2ccc(-c3ccccc3)cc2)cc1 483498580 CXVXJJPJOGGNEP-RBUKOAKNSA-N 447.560 5.264 30 20 IKED N#Cc1cc(-c2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)c[nH]1 484976106 XOBLBZKXHZABSN-UHFFFAOYSA-N 431.761 5.463 30 20 IKED CC(C)c1c(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cnn1-c1ccccc1Cl 485184383 STLXIZLJBZQQLT-UHFFFAOYSA-N 435.959 5.963 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1Cl 487061458 NZWPDTJILZTANI-YLJYHZDGSA-N 447.897 5.126 30 20 IKED C=CCCC[C@H](C)NC(=O)N1CCC(c2nc(-c3ccccc3Br)no2)CC1 487552656 PEKJWDWPECSUOJ-HNNXBMFYSA-N 447.377 5.133 30 20 IKED Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 490630294 OCFOUKUUNVTVNP-UHFFFAOYSA-N 426.516 5.550 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)cc1 499455794 MKBGAYJVXTYCLT-MSOLQXFVSA-N 437.259 5.015 30 20 IKED N#Cc1cc(C(=O)N2CCC[C@H](Cc3csc4ccccc34)C2)cnc1C(F)(F)F 500444643 YYLGZASCPDEUSN-CQSZACIVSA-N 429.467 5.282 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCOc2cccc3ccccc23)cc1C 501942140 BEDIHXYUOPMDRB-UHFFFAOYSA-N 438.531 5.043 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3nc4ccccc4s3)c2)cc1 503730475 SCGXQGDKRXYUKU-UHFFFAOYSA-N 428.517 5.263 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1 505201454 SXQIAFQNIBVZEG-DEOSSOPVSA-N 435.980 5.500 30 20 IKED CC(C)(C)CC(=O)Nc1ccc(CC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1 505308062 MGDALUZNGALHKZ-GOSISDBHSA-N 432.351 5.292 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2cccc(Cl)c2C)cc1 507832226 YXCTUCFPLOLGLE-MRXNPFEDSA-N 435.911 5.760 30 20 IKED N#CCCCCNC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 508404202 TUJPPMIUJXEADR-SFHVURJKSA-N 429.351 5.600 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(COc4cccc(F)c4)c3)CC2)cc1 509246349 JYXNKZWUYMQZCW-UHFFFAOYSA-N 445.494 5.352 30 20 IKED COc1cccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1OC 510045259 ODDYEZCXCUFWMH-HXUWFJFHSA-N 435.911 5.334 30 20 IKED N#Cc1ccc(NC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1Cl 510357289 VQUKAVXGOFMJNV-UHFFFAOYSA-N 437.849 5.100 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1 512619191 LLDMGFMUCMUMBE-KNQAVFIVSA-N 442.918 5.010 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 515795212 YTRDIFJIBGYTAY-UHFFFAOYSA-N 442.487 5.018 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(CO[C@@H]2CCC[C@H](C)C2)c1 519878375 KUEOHYWKYHWKTB-NBGIEHNGSA-N 447.579 5.031 30 20 IKED Cc1oc(-c2ccco2)nc1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 522189004 OSNNVXBLVONGPT-IBGZPJMESA-N 431.879 5.733 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N(Cc3cccc(F)c3)C[C@@H]3CCCO3)c2)cc1 524664041 DUQALKHLSXBPIX-VWLOTQADSA-N 445.494 5.703 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(Br)cc(Cl)c3O)cc2)nc1 536458247 GJRUKMCTEZTAHO-UHFFFAOYSA-N 444.672 5.119 30 20 IKED N#C[C@@H](C(=O)c1cnc(Oc2ccccc2)cn1)c1nc(-c2ccc(Cl)cc2)cs1 539147710 LBBSNCFUHJSEEN-KRWDZBQOSA-N 432.892 5.536 30 20 IKED CC[C@H](NC(=O)NCc1ccc(-c2ccccc2C#N)cc1)c1nc(C(F)(F)F)cs1 539166716 NVZNUGGIMMBQPY-SFHVURJKSA-N 444.482 5.651 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cn(C)nc1-c1ccccc1 541992288 XQQHGCSXOGEOGY-UHFFFAOYSA-N 437.503 5.381 30 20 IKED CC(C)C[C@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1cccc(C(F)(F)F)c1 548825774 NJCFAXSHBCGJRF-FQEVSTJZSA-N 444.501 5.455 30 20 IKED C=CCC[C@H](NC(=O)Nc1nnn(Cc2ccc(C(F)(F)F)cc2)c1C)c1ccccc1 549315824 KWZWTBYETALYOF-FQEVSTJZSA-N 443.473 5.483 30 20 IKED C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2cccs2)C1 555261345 QTUOABIPCOTGDP-SFHVURJKSA-N 447.029 5.439 30 20 IKED COc1ccc(OC)c(CCCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 559822839 HMKHTUOOAKFXGG-UHFFFAOYSA-N 446.572 5.230 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H](C)Cc1ccccc1C(F)(F)F 561897912 HPFJFOYODGNHRL-IAGOWNOFSA-N 449.542 5.601 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC([C@@H](F)c2ccccc2F)CC1 564481279 BXRMGWKMDFSVMC-KSFYIVLOSA-N 429.536 6.032 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C 567197612 CTEOPIIEFRHLDA-UHFFFAOYSA-N 426.952 5.222 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 568142192 XKLBQVCUMCPTBY-HXUWFJFHSA-N 446.979 5.285 30 20 IKED CCC[C@@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(Cl)c(Cl)c1 570178161 MJKHRZIAAAHMBB-LJQANCHMSA-N 431.367 5.497 30 20 IKED COc1ccc([C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(C)c1OC 571675472 FTNYVOIOPMEBHL-GOSISDBHSA-N 446.572 5.667 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 575975789 CNSITHUGZWVIRX-UHFFFAOYSA-N 438.531 5.173 30 20 IKED CCOc1ccc(Br)cc1-c1noc(-c2cc(-c3cccc(C#N)c3)no2)n1 583589773 JHPVWWPPJIKWLK-UHFFFAOYSA-N 437.253 5.091 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(SCc4cccnc4)cc3)o2)cc1 609055803 UMDZJJQIDALUJX-UHFFFAOYSA-N 441.512 5.670 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NCc3cccc(OCc4ccccn4)c3)c2)cc1 609126490 HUVHDHLJWYLPEB-UHFFFAOYSA-N 435.483 5.255 30 20 IKED Cc1csc(Sc2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cc2)n1 609501353 HUJFSUBGFMEZCH-UHFFFAOYSA-N 444.541 5.914 30 20 IKED CN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[C@H]1CCCN(c2ccccc2)C1 609648210 NSUKMLWSBMRJCE-DEOSSOPVSA-N 425.532 5.286 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 609685563 XGJRQJINJLKLSF-JGCGQSQUSA-N 449.532 5.123 30 20 IKED Cc1csc(Sc2ccc(C(=O)[C@H](C#N)c3nc4cccc(C)c4[nH]3)cc2[N+](=O)[O-])n1 609831143 AJDVMSYECASDNN-AWEZNQCLSA-N 449.517 5.186 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c1 609860283 YXLOGBYMWWZMMW-UHFFFAOYSA-N 433.851 5.505 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H](C)Cc2ccc(C(F)(F)F)cc2)c1C 610053653 FWNDRAAMIWZAPV-CQSZACIVSA-N 426.442 5.197 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)c1C 610054555 SWBHNMLQAJNWJE-UHFFFAOYSA-N 443.894 5.454 30 20 IKED CC(C)Oc1ccc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1C#N 610936519 XLLWZJOBDMCQAX-STQMWFEESA-N 437.384 5.376 30 20 IKED COCCn1ncc2ccc(NC(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc21 611817725 SETHVXLJQCZENH-GOSISDBHSA-N 439.519 5.104 30 20 IKED Cn1ccnc1SCc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)o1 613407532 XDEPFJORHJWQIL-ZDUSSCGKSA-N 428.926 5.059 30 20 IKED COC(=O)c1sc2ccccc2c1CNC(=O)Nc1ccccc1SC[C@@H](C)C#N 614169019 NXYFYCKQOYCTCD-AWEZNQCLSA-N 439.562 5.261 30 20 IKED O=C(N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1(c2cccc(F)c2)CCCCC1 619570660 QSEWHBCIBOOSGR-GJZGRUSLSA-N 425.388 5.617 30 20 IKED O=C(NCc1cccc(C(F)(F)F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642620013 GMFYGDSGOMOVFI-RYUDHWBXSA-N 436.318 5.414 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)cc1 725885246 UWRBNFVSHJOXMG-HXUWFJFHSA-N 435.314 5.478 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)cc1 726940891 YPCOBBYDEIOJBS-UHFFFAOYSA-N 429.549 5.610 30 20 IKED N#CCOc1ccc(CNC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1 727839582 HZQIBDADJGDHLL-UHFFFAOYSA-N 447.347 5.265 30 20 IKED N#CCOc1ccc(CNC(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)cc1 727936351 OQMQQFHEODUGQC-UHFFFAOYSA-N 441.409 5.722 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)Nc1ccc(Cl)cc1Cl 727978627 KFWJLSXCRBNZPH-UHFFFAOYSA-N 442.371 6.561 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)CCc2nc(-c3ccc(C)c(F)c3)no2)c1 728181971 NJUPIKNXVNZPJN-UHFFFAOYSA-N 445.519 5.393 30 20 IKED Fc1cc(Br)ccc1NN=Cc1cn(-c2ccccc2)nc1-c1cccnc1 728433187 WQPDKPZHQXNNBN-UHFFFAOYSA-N 436.288 5.282 30 20 IKED N#CCCn1cc(C(=O)COC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c2ccccc21 728669076 HTYUUVZBNYQLHG-UHFFFAOYSA-N 449.466 5.259 30 20 IKED COCCSc1ccc([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 729037134 WECMORWXFIAARL-KBMIEXCESA-N 445.588 5.963 30 20 IKED COc1ccc(NC(=S)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1F 730955055 SUYQYPXQCMKFHP-UHFFFAOYSA-N 429.464 5.668 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)C1CCCCC1 731124316 GJIGAJFOGOFMIK-JPYJTQIMSA-N 435.593 5.315 30 20 IKED CC(C)(C)c1nc(C#N)c(NN=C(CC(F)(F)F)c2ccc(Br)cc2)o1 731926593 LRTOFGGXTYRHCU-UHFFFAOYSA-N 429.240 5.375 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1cccc(C(F)(F)F)c1 733081038 KPMQTWOWRMKRPA-UHFFFAOYSA-N 425.336 5.412 30 20 IKED C=CC[C@H](NC(=O)N[C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C)c1ccncc1 734668989 KJLAFRWAQMPSJW-BEFAXECRSA-N 426.973 5.845 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CN(Cc2cccnc2)c2ccccc2)cc1 735649760 KKIOYWFUEBRAOW-HHHXNRCGSA-N 432.527 5.382 30 20 IKED CC(C)(C)n1ncc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1C(F)(F)F 739750862 IRGFRTOOSBWWKJ-UHFFFAOYSA-N 432.471 5.187 30 20 IKED Cc1c(C(=O)/C=C\c2cn(C)nc2-c2ccncc2)cnn1-c1ccc(Cl)cc1Cl 743055604 GVCHJLMHSFPLGF-UTCJRWHESA-N 438.318 5.179 30 20 IKED CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C#N)o2)NC(=S)N1c1cccc(Cl)c1 743742962 QDERTFOMUADPQU-OAQYLSRUSA-N 448.935 5.153 30 20 IKED CCCc1nc2ccccc2c(C(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)c1CC 744467105 KRZYTQRYXWNJGD-UHFFFAOYSA-N 426.476 5.028 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)C3(c4cccc(C(F)(F)F)c4)CCCC3)o2)cc1 744617543 AGVYFYZDCDJFCU-UHFFFAOYSA-N 441.409 5.182 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 747203545 ARRHQRUJFZXMCH-KZULUSFZSA-N 433.386 5.088 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(C[C@H](O)c3ccc(F)cc3)C3CC3)cc2)cc1 750593872 YUDXTHOYJDBBAN-DEOSSOPVSA-N 431.467 5.220 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)CCCCCc1cc(-c2ccccc2)no1 751193323 FCNDSCIXTWPYTD-UHFFFAOYSA-N 442.519 5.390 30 20 IKED C[C@H](C[C@H](O)c1cccs1)NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 752277303 VRSXRJOMOHGOCY-KUHUBIRLSA-N 426.925 5.307 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 752805230 GTFXQFNYPNBDFU-OAHLLOKOSA-N 447.366 5.070 30 20 IKED C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@H](C)c2ccc3ccccc3c2)nc1C 753297302 GWUVXUNTLFZLNP-ZDUSSCGKSA-N 435.578 5.080 30 20 IKED Cc1c(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)cccc1-c1ccccn1 755027386 QWCWCMCERNGCPX-QGZVFWFLSA-N 445.544 5.247 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccnc(Br)c2)cc1Cl 758178417 ZSPLNGXJJGGCKJ-QGZVFWFLSA-N 426.701 5.405 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccsc1 764754601 HEUIPLBUAQTRJD-UHFFFAOYSA-N 442.221 5.347 30 20 IKED CSc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3)n2)c(Cl)c1 765604679 FMUXGCBCMJAFMA-YHYXMXQVSA-N 446.956 6.238 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@H](CC(F)(F)F)c2ccccc2C)cc1C#N 770611747 NRVGLOKNTSQYJT-GOSISDBHSA-N 434.418 5.250 30 20 IKED Cc1ncsc1/C=C/C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 776783720 SZZMVPKCHZWWBS-SNAWJCMRSA-N 434.468 5.041 30 20 IKED Cn1c(Cl)cnc1CN[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 783012097 DJXWSAYSZMDGPI-GFCCVEGCSA-N 439.709 5.504 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCC#N)c(C)c1 784125309 IVLHPYAHXLEWGF-QFIPXVFZSA-N 448.592 5.184 30 20 IKED CC[C@@H](NC(=O)[C@H](C#N)C(=O)c1cc2cc(Br)cc(C)c2o1)c1ccccc1 787036200 HQAPFIOPLNMXEN-QZTJIDSGSA-N 439.309 5.094 30 20 IKED N#CCn1c(CN2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)nc2ccccc2c1=O 791605892 DZHWNJITBHQGJI-OAQYLSRUSA-N 440.469 5.056 30 20 IKED COc1cc(C(C)=NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)cc(OC)c1OC 794981404 MLCMSUSYVFDFSZ-UHFFFAOYSA-N 446.429 5.024 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)c1ccccc1 797568200 GIJLJMSYSTVXMA-SJORKVTESA-N 427.570 5.273 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 800576626 SETYSVXEWVSGEZ-RBBKRZOGSA-N 427.589 5.449 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1cc(C#N)ccc1Cl)c1ccccc1 803834390 BRUBQOFSCLXFSX-QFIPXVFZSA-N 434.879 5.147 30 20 IKED CC1(C(=O)OC[C@@H]2CCO[C@@H]2c2ccccc2)CCN(c2ccc(Cl)cc2C#N)CC1 805920996 WSXGKQUWFJPHJD-WMZHIEFXSA-N 438.955 5.139 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(COc4ccccc4)c3)CC2)c(F)c1 806222033 CKZUSRZARBBZHT-UHFFFAOYSA-N 445.494 5.352 30 20 IKED COc1cc(/C=C\C(=O)c2cc(Br)ccc2F)cc(OC)c1OCC(F)F 809157981 PKARYAOGEXGVSY-UTCJRWHESA-N 445.231 5.145 30 20 IKED CC(C)(C)N1CC[C@](F)(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1 810533046 UCCQTQUXDCNWOF-VBKZILBWSA-N 440.371 5.506 30 20 IKED Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)[C@H](C#N)c2cnc3ccccc3n2)cs1 810716634 KDSGFPPIPHHYGQ-QGZVFWFLSA-N 430.508 5.355 30 20 IKED N#C[C@@H](C(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1)c1cc(C(F)(F)F)ccn1 813211166 FIVKAKBIVMFBQR-IIBYNOLFSA-N 448.416 6.088 30 20 IKED C[C@@H](CC(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)c1ccc(F)c(Br)c1 813212870 GYIRGMSYYYVJHK-GXFFZTMASA-N 429.211 5.372 30 20 IKED Cc1cc(-c2nc([C@H]3CCCN3C(=O)OC(C)(C)C)no2)c(C)n1-c1ccc(C#N)cc1 904704016 PYAFYTVZGPFMRF-HXUWFJFHSA-N 433.512 5.088 30 20 IKED N#Cc1cccc(COc2cccc(C=Nn3c(S)nnc3-c3ccccc3Cl)c2)c1 915944649 LRMIWPMDWSGPON-UHFFFAOYSA-N 445.935 5.220 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl 916695660 BBOYNLUXHVOJAI-GOSISDBHSA-N 448.419 6.288 30 20 IKED C=CCn1c(SCC[S@](=O)c2cc(Cl)ccc2Cl)nnc1-c1ccccc1 917153179 PHANZRXRYJAZLU-MHZLTWQESA-N 438.405 5.338 30 20 IKED Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1scnc1C 917623147 POFRZDWQAUUZGG-SFHVURJKSA-N 438.534 5.286 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CSCc1ccc(Br)cc1 920105857 GWYCVQVAEQGFTD-KRWDZBQOSA-N 441.350 5.064 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc4nc(C)ccc4o3)cc2)CCC1 1788322360 WQXINPKPKFBFTH-OAQYLSRUSA-N 443.547 5.652 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(C)noc3-c3ccccc3)cc2)CCC1 1788671959 WPGNXBDGPBYYDT-GOSISDBHSA-N 443.547 5.610 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3c(C)nc4ccccn34)cc2)CCC1 1788927020 CLPCFSLFWMYDGS-QFIPXVFZSA-N 442.563 5.159 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc4cccnc4s3)cc2)CCC1 1788968070 IGTOEPZMIWKXNM-UHFFFAOYSA-N 449.576 5.027 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnc4cc(C)ccn34)cc2)CCC1 1790972724 URFFJMBTSMMTAF-QFIPXVFZSA-N 442.563 5.159 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1sc2ccccc2c1Cl 1797462551 BUYAJNDMJFUJAU-XMTFNYHQSA-N 443.012 5.575 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C(C)=C/c2ccc(C)o2)[nH]n1 1814441646 PFDGOYRYOUKVDD-RLHAVTDZSA-N 438.572 5.399 30 20 IKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)[nH]n1 1822397340 QCPNTJINPUFKCG-XMMPIXPASA-N 440.547 5.186 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](F)c2ccccc2)CC1 1824857885 MRGKYIBDQZYCLK-SMIHKQSGSA-N 426.576 5.085 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)ccnc2Cl)CC1 1825367350 PAKNLMFCMYXOJB-IBGZPJMESA-N 449.998 5.100 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(C)C)on2)CC1 1826155612 HRRLNHIAVUVPLF-OAQYLSRUSA-N 429.605 5.024 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc3ccc(C)cc3s2)CC1 1826202517 JPAAICVRPOPFPT-WIYYLYMNSA-N 439.625 5.050 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(F)c2)CC1 1830507155 LKDCQFUSXHHYKJ-DNQXCXABSA-N 426.576 5.136 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccccc1 9446871 YVLLEXKVIKOGIE-CYBMUJFWSA-N 433.364 5.557 30 20 IKED CCOC(=O)c1sc(NC(=O)c2oc3ccc(Br)cc3c2C)c(C#N)c1C 14596529 ZBIPPCASPPLWSE-UHFFFAOYSA-N 447.310 5.174 30 20 IKED CCN(C(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N)c1nc2ccccc2s1 17183304 HAWSIBKQVJAYON-UHFFFAOYSA-N 436.484 5.035 30 20 IKED CSc1nc(C2CC2)cc(C(=O)OCc2coc(-c3ccc(Cl)cc3)n2)c1C#N 26985665 RSRYTJZWNDOZLG-UHFFFAOYSA-N 425.897 5.218 30 20 IKED Cc1c(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cnn1-c1ccc(F)cc1 58515627 CURWUICGNBSJMQ-UHFFFAOYSA-N 442.469 5.173 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 63641440 DAXYSFWWCFJRPX-UUOWRZLLSA-N 427.504 5.099 30 20 IKED C[C@@H](C(=O)Nc1ccccc1C#N)N(C)CCCCCc1cc(-c2cccc(F)c2)no1 63763685 DNVNQZNZYNESTQ-SFHVURJKSA-N 434.515 5.024 30 20 IKED C[C@H]1CN(C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c2ccccc21 63831325 VDVDQEKPVPLNSO-KRWDZBQOSA-N 427.529 5.053 30 20 IKED CCOc1ccc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c(C(F)(F)F)c1 64375008 BBCYGANLEVWFCB-UHFFFAOYSA-N 431.329 5.063 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)c1 409571269 PUJGOPYRECETHF-BVAGGSTKSA-N 426.516 5.035 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1csc(Cc2cccc(Cl)c2)n1 426672874 UKUXEFKBZBKDLG-FGZHOGPDSA-N 435.980 5.228 30 20 IKED C[C@H](Nc1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1)c1ccccc1 429667455 KRLDDHTTZWWMPH-FQEVSTJZSA-N 435.531 5.889 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cn1cc(-c2ccccc2)c(C)n1 435734486 XELBTAFNEQPICH-UHFFFAOYSA-N 436.515 5.256 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)Cc2csc(Cc3ccccc3)n2)cc1F 437483381 LNGOIQFCUWIKQN-UHFFFAOYSA-N 443.503 5.718 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F 437834354 CSGPPNBEVXSHKT-CRICUBBOSA-N 429.495 6.413 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 437844355 QDBUNSFIZWYXAG-UKILVPOCSA-N 438.531 5.551 30 20 IKED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](c1cccc(SC)c1)c1ccc(F)c(F)c1 438013517 OZUVEMFFOVAQRW-HSQYWUDLSA-N 432.536 5.057 30 20 IKED N#Cc1nc(NC(=O)c2cccc(CSc3cc(Cl)cc(Cl)c3)c2)[nH]c1C#N 438961443 PLANQUGOMKOQLI-UHFFFAOYSA-N 428.304 5.004 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCC(c3cccc(Br)c3)CC2)cc1 439327450 MVRLORDJCBMLBZ-UHFFFAOYSA-N 426.358 5.662 30 20 IKED Cc1c(NC(=O)[C@@H](C)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cccc1[N+](=O)[O-] 439643879 GVNIGMDVRNDZMQ-OAHLLOKOSA-N 434.427 5.145 30 20 IKED N#CCC[C@@H](NC(=O)CCc1ncc(-c2ccccc2Br)o1)c1ccccc1 439657906 IGYQASMLJJKJAA-LJQANCHMSA-N 438.325 5.198 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3cc(Cl)c(Cl)cc3F)c2)cc1 439835665 YDDKYLWVUUIPGJ-UHFFFAOYSA-N 444.249 5.374 30 20 IKED C=CCC[C@@H](NC(=O)NC1CCN(c2ccccn2)CC1)c1ccc(C(F)(F)F)cc1 440816223 LWNWBRQRVIQUGQ-HXUWFJFHSA-N 432.490 5.076 30 20 IKED N#CC1CCC(CNC(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)CC1 441139251 OCYRZJNHGZLLGP-MYKUNDNFSA-N 427.342 5.015 30 20 IKED C=CCC[C@H](NC(=O)N[C@H](CC)c1nnc2n1CCCCC2)c1ccc(C(F)(F)F)cc1 442250427 NGGHBBDOZMLXSG-MOPGFXCFSA-N 449.521 5.481 30 20 IKED C=CCN(C(=O)c1cc(NC(=O)C(C)(C)C)ccc1F)c1nc(-c2ccccc2)cs1 443816073 MBWUQISCTQZERE-UHFFFAOYSA-N 437.540 5.767 30 20 IKED Cc1nnc2ccc(-c3noc(-c4ccc(Oc5ccccc5C#N)c(Cl)c4)n3)cn12 445646700 HZBWZBLZZZBWTA-UHFFFAOYSA-N 428.839 5.072 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1ccnc(Oc2ccccc2Cl)c1)c1ccccc1 446184807 SCODOMWNILYBGK-UHFFFAOYSA-N 448.910 5.193 30 20 IKED CCC[C@@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)c1ccc(Cl)c(Cl)c1 462090053 CFPWPLCQMCHHRM-GOSISDBHSA-N 429.311 5.109 30 20 IKED N#Cc1cccc(-c2cc(C(=O)N3CCC[C@H]3c3ccc(Br)s3)on2)c1 469268660 STKFNFUPPVISET-HNNXBMFYSA-N 428.311 5.015 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2cccc(NC(=O)CCCc3cccs3)c2)n1 474431883 IZAMAMMLVWKQKS-IBGZPJMESA-N 437.590 5.779 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 475546466 JCVPFKMXZJNASM-HSZRJFAPSA-N 442.003 5.387 30 20 IKED N#Cc1c(CSc2nnc(-c3ccccc3F)n2Cc2ccco2)cn2ccccc12 481386649 JRALHVVWDZDKRQ-UHFFFAOYSA-N 429.480 5.142 30 20 IKED COc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 481573712 MZSYVEDEYIQVBL-DEOSSOPVSA-N 445.494 5.654 30 20 IKED N#Cc1ccc2c(c1)CCCC[C@H]2NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 481931176 ZDTNLJZWDKKJIR-AREMUKBSSA-N 426.564 5.235 30 20 IKED C=C(C)[C@H](NC(=O)N(Cc1cccc(OC)c1)C1CCC(O)CC1)c1ccc(F)c(F)c1 483294724 WUZHDFYOKMGUFR-IMQCZEGASA-N 444.522 5.106 30 20 IKED C=CCSc1ccccc1C(=O)Nc1ccc(OC)c(NC(=O)c2cccc(F)c2)c1 485754089 NOHSHKNSAGLCLS-UHFFFAOYSA-N 436.508 5.617 30 20 IKED C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cccc(Cl)c1Br 491601283 KJOHERWAYYFRJG-LLVKDONJSA-N 445.791 5.298 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1C 493343576 DQKRZCSFRPCKSX-KRWDZBQOSA-N 440.469 5.590 30 20 IKED CN(C(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccc(Br)cc1F 501567848 GWJQUXYUDADISR-UHFFFAOYSA-N 439.284 5.315 30 20 IKED Cc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c(OC[C@H]2CCCO2)c1 501986445 OWNJPDYWTKHMSU-XMMPIXPASA-N 442.515 5.256 30 20 IKED C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 502224706 FXWFUKUVOZPIEQ-IBGZPJMESA-N 442.519 5.034 30 20 IKED Cc1cccc(C)c1NC(=O)CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 503639619 LVUBGOFDLKVCEO-NRFANRHFSA-N 446.938 5.373 30 20 IKED C[C@H](S[C@H](C)C(=O)NCC(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 506232957 NBBHNQZWXLXXLO-JGVFFNPUSA-N 427.332 5.585 30 20 IKED N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC(C(=O)c2ccc(Cl)cc2)CC1 506943882 JJKACKLPVKRAIJ-UHFFFAOYSA-N 441.865 5.461 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OCc4ccccc4)nc3)n2)cc1 508197823 JUXWLHVAYKBGBD-NRFANRHFSA-N 441.512 5.283 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N(Cc3ccccc3F)C3CC3)c2)cc1 509888298 BAHQEIWNMADDDJ-UHFFFAOYSA-N 429.495 5.667 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCc2cccc3ccccc23)cc1 511318205 CKWRTVKIIRUWOY-UHFFFAOYSA-N 435.527 5.849 30 20 IKED COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 512334777 YNVIPKDOGVVQLF-IBGZPJMESA-N 427.504 5.511 30 20 IKED CC[C@@H](c1ccccc1)N(CC)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 514808060 QFWFLMRJRUNUMN-NRFANRHFSA-N 432.524 5.022 30 20 IKED CC(C)N(Cc1cccc(Br)c1)C(=O)Nc1ccccc1SC[C@@H](C)C#N 518165085 DLHIKPUULMJZEL-INIZCTEOSA-N 446.414 6.143 30 20 IKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3Cl)o2)ccc1Cl 518650683 VYBAQKSCMWZPHB-UHFFFAOYSA-N 447.347 5.391 30 20 IKED N#C[C@H](C(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1nc(-c2c(F)cccc2F)cs1 518872708 YXQJLPXTLOMRRE-IAGOWNOFSA-N 440.471 5.136 30 20 IKED CCOc1ccc(Oc2cc(CNC(=O)N(Cc3ccc(C#N)cc3)C(C)C)ccn2)cc1 519063134 KKLLDVMZKGDIJP-UHFFFAOYSA-N 444.535 5.264 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](c2ccccc2)c2ccco2)cc1 520577237 RVMOPRAAAGIZFP-RUZDIDTESA-N 439.471 5.863 30 20 IKED N#Cc1cccc(C2(NC(=O)Cc3csc(-c4cccc(C(F)(F)F)c4)n3)CC2)c1 520828331 UXJJENIZKUNUEK-UHFFFAOYSA-N 427.451 5.049 30 20 IKED Cn1ccnc1SCc1cccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1 521886267 QBINUGWWVVFLHO-SFHVURJKSA-N 431.348 5.014 30 20 IKED N#CCCCOc1cccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2Cl)c1 524217601 ACWYTOBIMIBOAE-QHCPKHFHSA-N 435.886 5.933 30 20 IKED Cn1cnnc1Sc1ccccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 525284544 AGZQEUQXYNITPK-UHFFFAOYSA-N 445.479 5.022 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2oc3ccccc3c2CSc2nnc(C)s2)n1 525860240 LZXYBSZWIDGLJW-ZDUSSCGKSA-N 426.548 5.140 30 20 IKED Cc1nnc(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)n1[C@@H]1CCC[C@H](C)C1 534606436 VMXOXTYTAPLRMD-LZLYRXPVSA-N 443.642 5.463 30 20 IKED CC(=O)c1ccc2c(c1)CCN(C(=O)Nc1ccc(Oc3cccc(C#N)c3)cc1)CC2 535968177 FOFMATKUJIAKRY-UHFFFAOYSA-N 425.488 5.186 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc4nc(-c5ccccn5)oc4c3)cc2)nc1 537456165 OJWBVQYDRFIXOU-UHFFFAOYSA-N 433.427 5.201 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](CC(F)(F)F)c1ccc(F)cc1 538176953 YVSWWMKOQZLUMQ-RDTXWAMCSA-N 439.478 5.442 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)cc1 539179880 ITFGEGAWGQIZCK-QFQXNSOFSA-N 425.532 5.192 30 20 IKED N#CCCn1cc(CN2CCO[C@H](c3ccccc3C(F)(F)F)C2)c(-c2ccccc2)n1 540996052 MOJRFRZNBQARDE-QFIPXVFZSA-N 440.469 5.056 30 20 IKED COc1cccc([C@H]2[C@H](c3ccccc3)CCN2Cc2nnc(-c3cccc(C#N)c3)o2)c1 541330554 OXKPTZQWEPAWME-AHWVRZQESA-N 436.515 5.348 30 20 IKED C[C@H](NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(-c2cccc(C#N)c2)cc1 542994606 PKHFFRHAJBCVTQ-HNNXBMFYSA-N 437.421 5.060 30 20 IKED Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)Nc2cc(C(F)(F)F)ccc2F)C1 554189597 SKOXZWNQGNAGFL-JTQLQIEISA-N 438.347 5.008 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3F)s2)nnc1-c1cccs1 559997079 QGEYAARPHNRDDK-LBPRGKRZSA-N 429.571 5.704 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Oc2ccccc2OC)c(F)c1 562136026 AMGBZUCCWYHCKV-UHFFFAOYSA-N 440.471 5.322 30 20 IKED CN(C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 563574635 SFIFDNRVEFPGEY-ZJSXRUAMSA-N 446.482 5.269 30 20 IKED CCCN(C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[C@H](C)c1ccccc1OC 564441040 KEFNOKOSWPWXGA-GOSISDBHSA-N 430.508 5.759 30 20 IKED C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N(C)CCOCc1ccc(C#N)cc1 567273652 UJSSKDKFYSTUBW-CQSZACIVSA-N 431.323 5.125 30 20 IKED C[C@@H](C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1cccc(C(=O)c2ccccc2)c1 576201317 YUPYTVIQJFVFKL-LJQANCHMSA-N 447.494 5.719 30 20 IKED Cc1oc(NC(=O)[C@H](C)N[C@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)c(C#N)c1C 579057488 SYOJJMJQBXWEQC-QWHCGFSZSA-N 442.972 5.531 30 20 IKED N#C[C@H](NC(=O)c1nc2ccccc2cc1Br)c1ccc(Cl)c(Cl)c1 583835754 SWHUITXRWACDON-INIZCTEOSA-N 435.108 5.299 30 20 IKED COc1cc(F)c(F)cc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 589359437 CIQDMMCLSCDOBS-UHFFFAOYSA-N 425.410 5.218 30 20 IKED N#C[C@@H](C(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1nc2cc(F)ccc2s1 592973327 CXMCXHDSBOJKPB-IBGZPJMESA-N 442.475 5.152 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(Oc2ccc(F)cc2)cc1 603601121 QAQQRYWAWSHFOO-UHFFFAOYSA-N 439.446 6.238 30 20 IKED CN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603829535 YLWOWCGQDRZVRV-UHFFFAOYSA-N 426.398 5.428 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)c2)c1 603891698 JOFSNLHYHLCCND-UHFFFAOYSA-N 449.466 5.433 30 20 IKED COc1ccc(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C)c1 603971486 QZTJKGNVNGHHGW-FQEVSTJZSA-N 426.925 5.113 30 20 IKED Cc1nc2ccccc2c(C)c1CC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 603995477 FZNQNGPFIRMYRD-UHFFFAOYSA-N 434.499 5.157 30 20 IKED Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1NC(=O)c1ccccc1 604456706 HPTZMPJFSBCOGJ-UHFFFAOYSA-N 447.494 6.164 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(NC(=O)C2CC2)cc1 604461401 URNHRIYPUBTENP-QGZVFWFLSA-N 440.503 5.582 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]1Cc1cccc(F)c1 609078756 MQTCLRQXWMBUND-DEOSSOPVSA-N 443.522 5.824 30 20 IKED COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 609207294 OKTMHAQMTRGFCE-IBGZPJMESA-N 429.520 5.048 30 20 IKED CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1C 609378475 KNTZESUFJDYECT-UHFFFAOYSA-N 439.459 5.085 30 20 IKED COc1ccc(-c2nc3c(s2)[C@H](NC(=O)c2cc4ccccc4n2CC#N)CCC3)cc1 609455673 PEFQJMFLXXILOY-LJQANCHMSA-N 442.544 5.104 30 20 IKED Cc1nc2ccccc2n1Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2C#N)ccc1Cl 609507529 UJMCSGDTWIPQAP-MRXNPFEDSA-N 444.922 5.324 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609548512 FMGLSPLETURIKV-UHFFFAOYSA-N 440.415 5.073 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)cc1 609914079 XMXMUAACGVVISZ-QFIPXVFZSA-N 430.548 5.694 30 20 IKED C=CCN(C(=O)[C@@H](C)c1cccc(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 610220383 ITUFCRXTTLSROL-AWEZNQCLSA-N 427.913 5.694 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1 618849408 APVHTYGPQMKZLN-BVZFJXPGSA-N 425.532 5.624 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 642157829 LCKJUYRFAVWWCB-AXMVNOCNSA-N 447.341 5.835 30 20 IKED C=CCc1ccc(OCC(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)c(OC)c1 650357912 ZTZYVHVDFGFSNB-UHFFFAOYSA-N 429.822 5.036 30 20 IKED C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 670203597 CZFOMZDLPRKVBK-LJQANCHMSA-N 431.515 5.109 30 20 IKED CC(C)(C)C[C@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(F)(F)F 679305371 DSXDJTISSSJRDP-ZDCRXTMVSA-N 430.355 5.562 30 20 IKED COc1cc(C=NNc2ccc(C#N)c(C(F)(F)F)c2)ccc1OCc1ccncc1 726425792 HOORWKANMGCYTC-UHFFFAOYSA-N 426.398 5.006 30 20 IKED CC(C)Cc1ccc([C@H](NC(=O)NCc2ccc(OCC#N)cc2)c2cccs2)cc1 727844818 NXICKBLWXQXQIV-DEOSSOPVSA-N 433.577 5.438 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/Oc3c(cccc3C(C)(C)C)C2=O)cs1 727975439 ULERBHJAEJYHNQ-FYJGNVAPSA-N 432.545 6.050 30 20 IKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(C2CCC2)C1=O)Nc1ccccc1F 730460059 TYJJKNRCWRQCTF-JOCHJYFZSA-N 447.535 5.492 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(CC)Cc2cc(Br)ccc2F)c1 733806826 NRDIRZOXINULQE-GOSISDBHSA-N 448.336 5.001 30 20 IKED Cc1ccc(-c2ncc(/C=C(/C(=O)Nc3cccnc3)C(=O)c3ccccc3)s2)cc1 734306699 QFZYOIIOJXOWPM-HYARGMPZSA-N 425.513 5.419 30 20 IKED N#C[C@H](C(=O)C[C@H]1OCCc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 734706538 LYVNXLIJKCIVND-DYESRHJHSA-N 443.355 5.997 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1 739022557 JQBQAQFFEWBDGE-IFMALSPDSA-N 445.485 5.823 30 20 IKED C=CCn1c(=S)sc2c(=O)n(CCCCOc3ccccc3C(F)(F)F)cnc21 741476005 NOFHNTXZLIZZLX-UHFFFAOYSA-N 441.500 5.053 30 20 IKED COCCOc1ccc(C(=O)/C=C/c2ccc(Br)cc2Cl)cc1OC 742432603 CNTOUBRYFCDFKP-QPJJXVBHSA-N 425.706 5.032 30 20 IKED COc1cccc([C@H](C#N)NC(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)c1OC 746226613 UTENYFBQXVHZKI-IBGZPJMESA-N 440.858 5.283 30 20 IKED CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1sc(-c2cccnc2)nc1C 747611477 MZYZAOVEDNIDOV-UHFFFAOYSA-N 428.443 5.312 30 20 IKED N#CC1(c2ccccc2)C/C(=C\c2ccc(Cl)nc2)C(=O)/C(=C/c2ccc(Cl)nc2)C1 749000199 VCFQVNAUWIPOTM-ROUMAOROSA-N 446.337 6.075 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(-n3ccnc3C)cc2)cs1 751514277 QLOFWICMWWHYES-KPKJPENVSA-N 446.507 5.357 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nc(C2CCCCC2)no1 752634671 ARKCXZGYCQOCJA-VGOFRKELSA-N 429.524 5.655 30 20 IKED C/C(=C/c1cccc(Cl)c1)C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 758889856 YEEYWOFVPATDBD-RTYFKUQISA-N 428.941 5.319 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(Cl)nc2)ccc1OCC(=O)Nc1ccccc1 759083516 RVWSUDFAEJUQDS-FLIBITNWSA-N 436.895 5.047 30 20 IKED C=C[C@@H](CC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F)c1ccccc1 759867261 UKGXBNBNCWSXCL-HNNXBMFYSA-N 434.458 6.351 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 760797077 FMWGPIDXKXXMER-UHFFFAOYSA-N 431.854 5.849 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2cc3ccccc3cc2OC(F)F)ccc1OC 761702021 GMPCVQHMJFFKMX-GOSISDBHSA-N 440.446 5.061 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 762018916 KGQDUJQKLQFMFC-GAJHUEQPSA-N 434.495 5.403 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1sc(-c2ccccc2)nc1C(F)F 762023687 GGSAJTSLSGZNGN-KRWDZBQOSA-N 447.466 5.862 30 20 IKED COC(=O)Nc1cc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc(C(F)(F)F)c1 763510789 LFYUZLTYRFGADG-ZDUSSCGKSA-N 437.374 5.123 30 20 IKED C[C@H](NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(N2CCOCC2)c(F)c1 764773356 GZQYKCZWPKQKQU-NWANDNLSSA-N 442.419 5.222 30 20 IKED Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)Nc1ccc(OC(C)C)c(C#N)c1 772451975 CEUSOHIWNGRUQW-IBGZPJMESA-N 443.979 5.529 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCCc3cc(SC(F)F)ccc32)ccc1OC 775410534 SLESDISEBIZTGS-FXAWDEMLSA-N 432.536 5.858 30 20 IKED C[C@@H](c1ccccc1)N(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)Cc1ccccc1O 776002523 FCDQSBPZMAXOEI-WMZHIEFXSA-N 448.526 5.193 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2cccc(C(C)C)c2)o1 776514713 FVKSWLHSWZYKJH-QFIPXVFZSA-N 428.532 6.156 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2nc3ccccc3cc2C)cs1 776785876 KTHFIGIDIXHVQR-UHFFFAOYSA-N 429.549 5.747 30 20 IKED C=CCC[C@@H](C(=O)O[C@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 778559884 XWNBQDMEFQYUDZ-DGCLKSJQSA-N 427.369 5.002 30 20 IKED C=CCOc1cccc(NC(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)c1 785732109 BLKSQZPPECFGGN-UHFFFAOYSA-N 428.532 5.434 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(COc2ccc(Cl)nc2)CC1 788681978 PGZHQSHANNVXCO-UHFFFAOYSA-N 427.976 5.910 30 20 IKED C[C@H](OC(=O)c1cc(-c2cccc(C#N)c2)no1)C(=O)Nc1ccccc1-c1ccccc1 789120846 GGFNPJFJODZRKL-KRWDZBQOSA-N 437.455 5.064 30 20 IKED COc1ccc(C(=O)/C=C\c2ccc(Br)cc2C(F)(F)F)cc1NC(C)=O 794936721 YWSDDQDWLWYZBW-DAXSKMNVSA-N 442.231 5.331 30 20 IKED CC1=C(Br)CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 797619829 YWEAQHPVWLXEQF-UHFFFAOYSA-N 426.314 5.566 30 20 IKED CC[C@@](C)(C#N)C(=O)OCc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1 803783292 ZNJGLDSZJLKHAJ-SFHVURJKSA-N 426.325 5.118 30 20 IKED C[C@@H](Cc1cncc2ccccc12)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F 805904448 PAHYWGINYYZZBB-JTQLQIEISA-N 429.307 5.128 30 20 IKED C=CCn1c(SCC(=O)O[C@H](CC)c2ccc(F)cn2)nnc1-c1ccc(Cl)cc1 808946697 HBFVTZKHJBRRDU-GOSISDBHSA-N 446.935 5.105 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC(c4cc5ccccc5[nH]4)CC3)cc2)ccn1 810281585 PLWHDMOVQQETOP-UHFFFAOYSA-N 437.503 5.638 30 20 IKED N#C[C@H](C(=O)CCc1cc(Cl)ccc1Br)c1cc(C(F)(F)F)ccn1 813214708 RMGDUGVNRVOJKP-ZDUSSCGKSA-N 431.639 5.325 30 20 IKED N#C[C@@H](C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)c1ccccc1 864240329 SIQFMGDYIWMAJE-OAQYLSRUSA-N 428.492 5.042 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(c3cccc(Br)c3)CC2)cc1 915085255 JMTIBSDYLHTZLT-QFIPXVFZSA-N 431.333 5.775 30 20 IKED Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915087038 ZRDWOLGBENZKLL-DEOSSOPVSA-N 437.499 5.778 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102739 FYAVWJWKANKECE-SJCJKPOMSA-N 442.327 5.632 30 20 IKED C=CCOc1ccc(/C=C(\c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1OC 915851732 LNBIRVDFLWGRPD-JJIBRWJFSA-N 446.528 5.108 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc2ncccc2c1 916272963 OKNJVOYXCTVWHB-UHFFFAOYSA-N 430.920 5.517 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cc(Br)ccc1F 916309130 AAZAZPXEUQFTKN-UHFFFAOYSA-N 442.313 5.217 30 20 IKED Sc1nnc(-c2cccc(Cl)c2)n1N=Cc1c[nH]c2ccc(Br)cc12 916344234 GHISCUHBBOLCEY-UHFFFAOYSA-N 432.734 5.013 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)c1 916897736 RIEJZCMUQYHZHK-QHCPKHFHSA-N 439.490 5.563 30 20 IKED Cc1ccc(Sc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3)cc2[N+](=O)[O-])cc1 916898834 HVGAPXZXZLJNPY-IBGZPJMESA-N 431.473 5.016 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2cccc(F)c2)n1)C(=O)Nc1ccc(Cl)cc1Cl 916928027 SOGHHFOINKCYOZ-OAHLLOKOSA-N 448.306 5.146 30 20 IKED O=C1NC(=Nc2cccc(C(F)(F)F)c2)S/C1=C/c1cnc(-c2ccccc2)nc1 917146141 YPUXFFWEQQDSHD-RQZCQDPDSA-N 426.423 5.054 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NN=C(c2ccccc2)c2ccccc2)cs1 917531488 VGUYDCPRWWTAQE-UHFFFAOYSA-N 438.556 6.008 30 20 IKED Cc1ccc(N2C(=O)/C(=C/Nc3cccc(OCCCC#N)c3)c3ccccc3C2=O)cc1 917602007 DIMQFKJFNFBJRC-XIEYBQDHSA-N 437.499 5.318 30 20 IKED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 918407233 JRBQULHCDKDALR-MBSDFSHPSA-N 437.499 5.246 30 20 IKED N#Cc1ccccc1/C=C/C(=O)N(CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1 918625522 ZMZVIPHFMAKUHA-SDNWHVSQSA-N 447.897 5.031 30 20 IKED CCCCc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 920140477 CWWUKVANTHKYLM-QFIPXVFZSA-N 441.556 5.864 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(Br)o3)n2)cc1 920143317 OZGKDSWPFJZAEM-PMGBHYCQSA-N 429.295 5.064 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(N3CCCCCC3)cc2)cc1C 921305144 GMEPUARWKFYGFU-UHFFFAOYSA-N 441.579 5.713 30 20 IKED CSc1nc(O)c(C(=O)Nc2cccc(-c3cccc(Br)c3)c2)cc1C#N 1626628634 JBMBTPFAJZBUOK-UHFFFAOYSA-N 440.322 5.063 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4ccsc4)cc3)CCC2)c1Cl 1788240321 DTBSCQNROVYJAG-UHFFFAOYSA-N 449.963 5.264 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ncccc4[nH]3)CCC2)cc1 1789625606 LEUXWQQYEAPRBH-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4ncoc4c3)CCC2)cc1 1789626400 LVPYTQNUMFLUQS-UHFFFAOYSA-N 431.536 5.568 30 20 IKED N#CCC(=O)NC1(c2ccc(NC(=O)c3ccccc3Oc3ccccc3)cc2)CCC1 1790229173 NGQKJASQLDEURO-UHFFFAOYSA-N 425.488 5.140 30 20 IKED Cc1ccc(-c2cc(C(=O)NC3(c4ccc(NC(=O)[C@@H](C)S)cc4)CCC3)c[nH]2)cc1 1791575619 KNQCNBPNSFWDBO-QGZVFWFLSA-N 433.577 5.056 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4)CCC3)cc2)c1 1792125399 YLYLGJPYXYMTOK-IBGZPJMESA-N 448.526 5.247 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)CCCOc3ccc(Cl)cc3)CCC2)cc1 1792262699 RVNKIRMTKSICQG-UHFFFAOYSA-N 438.955 5.047 30 20 IKED N#CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCCCCCCCc2ccccc2)C3)CC1 1795849925 BNNOSYRUHNEFOC-QEIWAGNOSA-N 449.639 5.292 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2cccc(Cl)c2c1 1801137324 GTCGCVQRFVORAX-REPLKXPHSA-N 439.987 5.132 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(Cl)cc2)n[nH]1 1816929629 GNTSGQHDMJWQRQ-NRFANRHFSA-N 440.975 5.066 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccccc3n2C)n[nH]1 1818438253 WDPRUGHFBXCIMG-NRFANRHFSA-N 447.583 5.200 30 20 IKED CC(C)c1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)cc1 1820594684 CHWODWHQGQMATF-QHCPKHFHSA-N 441.535 5.024 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c(-c4ccc(C)cc4)c3)CC2)C1 1823697850 GEBZIRFKFPYAMZ-AREMUKBSSA-N 445.607 5.190 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCc2cccnc2)CC1 1823755005 HGENMKWWLHDPDH-DEOSSOPVSA-N 439.644 5.016 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)noc2CCC)CC1 1827842509 TUIQAZSFQKPWTH-OAQYLSRUSA-N 443.632 5.161 30 20 IKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 1829976562 ZWGQUXNKBYKANZ-OAQYLSRUSA-N 435.395 5.030 30 20 IKED CCOc1ccccc1NC(=O)COC(=O)c1ccccc1SCc1ccc(C#N)cc1 9073432 JRFPPITVEBCZAV-UHFFFAOYSA-N 446.528 5.045 30 20 IKED CSc1nc(C2CC2)cc(C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)c1C#N 10711323 WLESOULKUHVLSQ-UHFFFAOYSA-N 443.528 5.015 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2ccc(F)cc2)cc1 10828064 PMORSWCJOKKJCD-UHFFFAOYSA-O 448.370 6.033 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccc(C(C)C)cc2)cc1 11264558 SXQBADYARGRYLY-UHFFFAOYSA-O 445.652 6.834 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccccc3)n2C)n(C2CCCCC2)c1C 16631621 DRALALYTPOPHHN-UHFFFAOYSA-N 448.596 5.008 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)[nH]c1C)=C(/S)Nc1ccc(F)c(Cl)c1 23604968 JNNCRRMFBWWXRN-UHFFFAOYSA-O 430.956 5.325 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2[nH]c(C)c(C(C)=O)c2C)[n+]2cccc(C)c2)c1 28793805 KYFSBQXQCPVIMO-UHFFFAOYSA-O 434.585 5.043 30 20 IKED C[C@@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)C(=O)Nc1cccc(C#N)c1 45231609 WBEDHBULTGXXTP-OAHLLOKOSA-N 428.492 5.427 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Oc4cccnc4)cc3)n2)cc1 64686877 HGCUFUXVOUJASZ-OAQYLSRUSA-N 427.485 5.496 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1 106055312 HZXLMMTVCYQECF-UHFFFAOYSA-N 438.487 5.328 30 20 IKED Cc1nnc(SCc2c(C(=O)Nc3ccc(C#N)c(Cl)c3)oc3ccccc23)s1 109386327 BXPRDMIVBJMESE-UHFFFAOYSA-N 440.937 5.662 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(c4ncccc4Cl)CC3)cc2)c1 429758959 SCMWNGSFOSCGDZ-UHFFFAOYSA-N 432.911 5.810 30 20 IKED COc1ccc(CN2C[C@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)cc1OCCCC#N 430202989 HMBKPNRPDADSAF-SBUREZEXSA-N 448.485 5.359 30 20 IKED COc1ccccc1-c1ccc([C@H](C)NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1 431978285 VTTFUXQATMCIQS-NBGIEHNGSA-N 427.548 6.158 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cccc(OCC(F)(F)F)c3)c2)c1 432640619 FRJBIVIYMIRVEY-UHFFFAOYSA-N 439.393 5.004 30 20 IKED CCNC(=O)Nc1cccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1C 434054078 QRJFMYQNNFQIFP-UHFFFAOYSA-N 428.492 5.247 30 20 IKED C=CCC[C@H](NC(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C)c1ccccc1 435282292 YWYBWCZLIFSKFK-NRFANRHFSA-N 442.485 5.269 30 20 IKED CN(C(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(C(F)(F)F)cc1Cl 439125369 UWSBRKBVPPOJQX-UHFFFAOYSA-N 434.801 5.679 30 20 IKED N#CCC[C@H](NC(=O)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccccc1 439417966 DUIYEAMJDXZJQA-FQEVSTJZSA-N 440.528 5.063 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1 439577979 WWWZKAQDMIYPNP-LJQANCHMSA-N 440.503 5.106 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)N[C@H](C)C(=O)N(CCC#N)c3ccccc3)s2)cc1 439606660 LBCGHIPWPMHQFC-AZUAARDMSA-N 432.593 5.413 30 20 IKED C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccccc2Sc2ccccc2C#N)CC1 439748647 UVXNOGGHTLILQE-LJQANCHMSA-N 442.588 5.060 30 20 IKED Cc1nnc(SCc2c(C(=O)N[C@H](CCC#N)c3ccccc3)oc3ccccc23)s1 440040458 ATOOPMCZEXBBGN-LJQANCHMSA-N 448.573 5.660 30 20 IKED C[C@H](C#N)CSc1ccccc1NCc1noc(Cc2ccc(Br)cc2)n1 444401185 PXTQFMSKXALKBJ-CQSZACIVSA-N 443.370 5.287 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cc2)c1 445200120 ZPOFPMYCJFPWPT-UHFFFAOYSA-N 431.451 5.598 30 20 IKED N#Cc1cc(N2C(=O)N[C@H](c3ccsc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1 445924966 KLSIMIFLJBWZPN-GOSISDBHSA-N 443.406 5.228 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)cc1 461991276 QFSYBGKEBZVMLW-UHFFFAOYSA-N 428.423 5.141 30 20 IKED CC[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1nc(C(F)(F)F)cs1 465189547 XGEJPMRZNFMKCA-OAHLLOKOSA-N 447.507 6.066 30 20 IKED CN1CCC(=O)Nc2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)ccc21 468439494 QVOWGXHLHMTUSW-HXUWFJFHSA-N 444.922 5.026 30 20 IKED Cc1c(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)n(C)c2ccccc12 471255876 CLFNCRBJOSOUDP-UHFFFAOYSA-N 438.531 5.454 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3cccc(COc4ccccc4)c3C)C2)n1 471443514 MKGZKRBAKWIRGX-QFIPXVFZSA-N 440.547 5.004 30 20 IKED C[C@H](C#N)CSc1ccccc1NCc1nnc(-c2ccccc2Br)o1 471641590 FLAGFFPGNRMRTA-CYBMUJFWSA-N 429.343 5.363 30 20 IKED COc1cccc([C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2cc(F)ccc2OC)c1 472682687 KDBYYMCCAGJYIZ-DEOSSOPVSA-N 447.510 5.555 30 20 IKED COc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc(-n2cccn2)c1 473650506 HMQYYYSMKAUOGX-UHFFFAOYSA-N 440.528 5.297 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 476138113 HGFIIJZBWCAPBM-LJQANCHMSA-N 440.971 5.058 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc2)cc1 477832438 XUBIREGCQJXVGB-HSZRJFAPSA-N 435.508 6.159 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 478885617 NOMAOCHCGREUJS-NWDGAFQWSA-N 437.311 5.650 30 20 IKED C[C@H](N[C@@H](c1ccccc1)c1nccs1)C(=O)Nc1sc2c(c1C#N)CCCCC2 479991460 HBVKKWPYPGYMCM-YWZLYKJASA-N 436.606 5.051 30 20 IKED C=CCOc1ccc(CNCc2cccc(-c3nc(C(=O)OC)cs3)c2)cc1Cl 480457006 VOGYKUKVCNEXDE-UHFFFAOYSA-N 428.941 5.105 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@H](c3ccccc3)[C@@H]3CCCO3)cc2F)c1 481567089 AYHMHMOIDNOPMC-LOSJGSFVSA-N 445.494 5.318 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 482482822 URPLIKVPBAGNEP-JOCHJYFZSA-N 427.495 5.405 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCCC[C@H]3c3ccc(F)cc3)c2)c1 483463375 CCZOEDKDQYYGJM-DEOSSOPVSA-N 442.494 5.709 30 20 IKED CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)CSc1ccc(C#N)cc1 486748601 BKLCMKPJSVWKPK-UHFFFAOYSA-N 436.556 5.051 30 20 IKED N#CCCC[C@@H](NC(=O)CSCc1ccc(Br)cc1F)c1ccccc1 487579457 ZTALYMZLRYOLCO-LJQANCHMSA-N 435.362 5.373 30 20 IKED C[C@H](c1cccc(C#N)c1)N1CCC(c2nc(-c3ccccc3Br)no2)CC1 488157806 CXOLSPJISNQDDX-OAHLLOKOSA-N 437.341 5.311 30 20 IKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nc2ccccc2n1C 489197389 PXLPMNPTWKFORW-KRWDZBQOSA-N 426.545 5.228 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nnc1-c1cccs1 489462940 LNCREZYLIXRPTI-LSDHHAIUSA-N 438.578 5.297 30 20 IKED Cc1cccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)c1C#N 490241828 GMFRNZNMLBFZCI-OAQYLSRUSA-N 438.314 5.018 30 20 IKED CCCCCC(=O)NC1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 498733218 CWQHNMLKLQQFCV-UHFFFAOYSA-N 449.620 5.152 30 20 IKED Cc1onc(CC(=O)N2C[C@@H](c3ccccc3Cl)c3c([nH]c4ccccc34)[C@@H]2C)c1C#N 499564566 SNCOOFOJCKNGLH-LIRRHRJNSA-N 444.922 5.267 30 20 IKED COCCN(C(=O)CSCc1ccc(C#N)cc1)[C@H](C)c1cccc(C(F)(F)F)c1 500302146 IVVAMGBXQQCNMR-MRXNPFEDSA-N 436.499 5.046 30 20 IKED Cc1c(C(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)sc2ccc(C#N)cc12 500311393 LAZPGSRPWZSBJQ-UHFFFAOYSA-N 441.560 5.242 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2F)nnc1-c1cccc(C)c1 501560261 DXRYNMGAUOMZMJ-CQSZACIVSA-N 430.936 5.351 30 20 IKED N#C[C@@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1ccc(Cl)cc1 505827447 RACAPLFMZWTLMB-LJQANCHMSA-N 444.844 5.417 30 20 IKED C[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)COCc1ccccc1 507530191 IWBFXYAPWCVJHX-HXUWFJFHSA-N 430.573 5.433 30 20 IKED N#Cc1cccc(COc2cccc(CN[C@H](CC(F)(F)F)c3ccc(F)cc3)c2)c1 507822770 JEGWIEYIWXGUBC-HSZRJFAPSA-N 428.429 6.060 30 20 IKED C=CCn1c([C@@H](C)CC)nnc1N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 508818117 QVHSJTYDZLMDRT-RDJZCZTQSA-N 426.952 5.065 30 20 IKED C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1ccccc1C(F)(F)F 510172644 MLNFXQSSRIPSDC-AWEZNQCLSA-N 427.451 5.758 30 20 IKED N#Cc1ccc(-c2ccccc2)nc1SCC(=O)N[C@H](c1ccccc1)c1nccs1 510178927 AHHZIGJUSCBIFK-JOCHJYFZSA-N 442.569 5.075 30 20 IKED C=CCn1c(S[C@@H](C)c2ccc(OC(F)F)cc2)nnc1[C@H]1COc2ccccc2O1 513240838 DXYJRHCORYFBFV-IFXJQAMLSA-N 445.491 5.431 30 20 IKED Cc1ccc(-c2cc(C(=O)N[C@@H](C#N)c3ccc(F)cc3)c3cnn(C(C)C)c3n2)cc1 515917132 ZVMWMJCMYRHQBR-QHCPKHFHSA-N 427.483 5.121 30 20 IKED N#Cc1ccc(CCC(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)cc1 517656994 FRSXKTNOLBHTEN-UHFFFAOYSA-N 442.494 5.253 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3csc(Br)c3)cc2)c1 518260327 XPHMEPHDZZLQJV-UHFFFAOYSA-N 428.311 5.496 30 20 IKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccccc1 518573237 DILGFUQVZOFJPG-QHCPKHFHSA-N 427.504 5.193 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)c1nc2cc(Cl)ccc2s1 520655332 ZEEQSJVMTVVKOD-GOSISDBHSA-N 447.903 5.331 30 20 IKED CCCN(C(=O)C(=O)Nc1ccccc1SCCC#N)[C@H](C)c1cc2ccccc2o1 520846985 RQEDMCFGUIQWSB-QGZVFWFLSA-N 435.549 5.377 30 20 IKED C[C@@H](Sc1ccc(Br)cc1)C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 521886384 VEUHAENGNMOJEP-BZNIZROVSA-N 443.288 5.330 30 20 IKED N#C[C@H](NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1cccc(C(F)(F)F)c1 521887410 RFUDMKYKAUFKLV-INIZCTEOSA-N 444.434 5.200 30 20 IKED Cc1ccc([C@@H](C)CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 523479477 KCNRMGQOCIIXAN-MBSDFSHPSA-N 445.950 5.162 30 20 IKED Cc1noc2nc(C(C)C)cc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c12 523946920 UHGRBAJEXUBXGX-ZDUSSCGKSA-N 438.459 5.546 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3NC(=O)c3ccccc3)o2)cc1 524385576 FTCZTQOXUUJJOH-UHFFFAOYSA-N 437.455 5.235 30 20 IKED C[C@H]1CN(c2ccccc2NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@H](C)O1 524500420 NBEWBQJJWAHNEU-PMACEKPBSA-N 441.531 5.003 30 20 IKED Cc1csc(-c2cccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2)n1 525327099 BPGGIRJNOBZIJP-SFHVURJKSA-N 435.961 6.386 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 532064993 YTHHACCLZWEKBB-KBPBESRZSA-N 426.383 6.165 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)N(C[C@@H](C)C#N)C1CC1 533590084 HPGSLLHVJKXMCF-AWEZNQCLSA-N 444.457 5.422 30 20 IKED O=C(Nc1nnc(C(F)(F)F)s1)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 538337886 YYNOEKXYEAGDBD-ZETCQYMHSA-N 438.275 5.001 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCCC)cc1 540788146 YUOZTLLNNXDAEP-UHFFFAOYSA-N 428.514 5.047 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1nc(-c2cccc(C(F)(F)F)c2)oc1C 541078767 RBIMYSJTYQLWOA-UHFFFAOYSA-N 425.410 5.369 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H](C)C[C@H]2c2cccc(OC)c2)cc1 543280363 NFGWOGZUQSEIBZ-DVECYGJZSA-N 433.552 5.124 30 20 IKED N#Cc1cccc(OCc2cccc(-c3nc(-c4ccccc4NC(=O)C4CC4)no3)c2)c1 544985650 VVOVOVUBKUZVBK-UHFFFAOYSA-N 436.471 5.203 30 20 IKED CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)N(Cc2ccco2)c2ccccc2C#N)c1 551515204 ZVGKKDPDDCGFAM-UHFFFAOYSA-N 449.938 5.314 30 20 IKED CC[C@@H](c1ccccc1OC)N(C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 553984676 ZLQRIDBRLOJTFB-QHCPKHFHSA-N 448.567 5.038 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N(Cc3cccs3)[C@@H]3C=C[C@H](CO)C3)cc2)cc1 554114164 ZVJVUZLFNGQXLF-RBBKRZOGSA-N 444.556 5.186 30 20 IKED C[C@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 558592200 HJZMLDCOWOCKBK-AWEZNQCLSA-N 426.398 5.203 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)(C#N)CC3)n2Cc2ccccc2)c1 558929789 WPLRBZOLJCTKOX-UHFFFAOYSA-N 443.595 5.467 30 20 IKED C[C@@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccc3ccccc3c2)n1Cc1cccs1 559167962 GVEZWNYCEYRQGM-ZWKOTPCHSA-N 431.565 5.277 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](c1ccccn1)c1ccccc1OC 559990899 XYZFHFQAMCVBPS-OAQYLSRUSA-N 427.957 5.292 30 20 IKED CCSc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 561421414 POJUFWAKHBDQEO-HZPDHXFCSA-N 427.595 5.009 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)ccc21 579049106 HXPVXUCXRNBSPQ-CYBMUJFWSA-N 440.347 5.540 30 20 IKED COc1cccc(/C=C(\CC(=O)NC2(C#N)CCCCC2)c2nc3ccccc3s2)c1 585718277 QSPIIAGTYZZBCO-XMHGGMMESA-N 431.561 5.578 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 590329214 RPPUQSAQDKSMHY-IUCAKERBSA-N 440.281 5.876 30 20 IKED Cc1cc(-c2cc(C(=O)N[C@@H](C#N)c3ccc(F)cc3)c3cnn(C(C)C)c3n2)c(C)s1 590766382 OBWJEYSVJPYOFN-QFIPXVFZSA-N 447.539 5.491 30 20 IKED C=CCOc1ccccc1CNC(=O)Nc1cc(OCC)c(OCC)cc1Br 601138940 DGEYMHBIYKVJNP-UHFFFAOYSA-N 449.345 5.133 30 20 IKED Cc1ccc(C(=O)N(Cc2ccccc2)c2ccccc2C#N)cc1NC(=O)c1ccco1 603532644 VMKNVEPEVVCGJB-UHFFFAOYSA-N 435.483 5.559 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)N(Cc2ccccc2)c2ccccc2C#N)s1 603532692 YXOVFQBHLSFKHK-UHFFFAOYSA-N 429.570 5.828 30 20 IKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603764277 KHSANGIRFYAGMH-UHFFFAOYSA-N 434.521 5.352 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc2ccccc2n1 603835775 VJRXSTARNQQLNJ-LJQANCHMSA-N 443.846 6.079 30 20 IKED COc1ccc(-n2c(S[C@@H](C#N)Cc3ccccc3)nnc2-c2cccc(OC)c2)cc1 604045325 PUXJDTUBHFPNSO-HSZRJFAPSA-N 442.544 5.178 30 20 IKED COc1cc(OC)c(OC)cc1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 604360733 WKJNJCJNHBZPSL-UHFFFAOYSA-N 447.491 5.007 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](C(=O)c4ccc(F)cc4)C3)cn2)cc1 606553001 QFLDNLSEYOKLAU-LJQANCHMSA-N 444.466 5.011 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1cc2sc(Nc3ccccc3)nc2s1 608883441 ZACYLMMZNOPHRR-UHFFFAOYSA-N 435.534 5.431 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)CCCCc3ccc(Br)cc3)CC2)c1 609184681 DBBASMWMORNKDW-UHFFFAOYSA-N 441.369 5.104 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3ccc(SCc4ccccc4)cc3)CC2)c1 609184745 GKMDJGWVTBQMFH-UHFFFAOYSA-N 428.557 5.534 30 20 IKED CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 609307046 XTZOOMLJYUKGSM-UHFFFAOYSA-N 445.494 5.289 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)N(C)C[C@H](C)C#N)cc2Cl)c(Br)c1 609319026 KGODYCKZQPJSJW-CYBMUJFWSA-N 436.737 5.827 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)cc2)c1 609427131 FITZXLWEAFQDEF-UHFFFAOYSA-N 439.496 5.917 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 609427876 ZKBONOCNEARNGJ-MRXNPFEDSA-N 433.508 5.725 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)CCc3c(C)nc(O)c(C#N)c3C)s2)cc1 610050622 FKTBLNOSSIXJPT-GOSISDBHSA-N 448.592 5.168 30 20 IKED COCCN(C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1ccc(C#N)cc1 610209323 YAWAWKNAWDALMN-UHFFFAOYSA-N 441.506 5.458 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)c2cc3ccccc3n2CC#N)nc1-c1ccccc1 610294524 VPQIGIRMWLQCOL-JOCHJYFZSA-N 438.531 5.921 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2COc3c(Cl)cccc32)cc1 610709900 GFAQCJPULCKDRE-JOCHJYFZSA-N 433.895 5.240 30 20 IKED N#Cc1cc(CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)c(Cl)c2)ccn1 610956987 HVEIHWHDVLPTTR-UHFFFAOYSA-N 439.331 5.195 30 20 IKED CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)[C@@H]1CCCc2c1cnn2C 610973217 ZWFSBAMRDDKUML-HXUWFJFHSA-N 435.915 5.279 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H](C[C@H]3CCOC3)C2)cc1 611357282 RFFVGPYZONSIKV-FCHUYYIVSA-N 433.552 5.002 30 20 IKED N#C[C@@]1(F)CCN(C(=O)Nc2ccc(Oc3ccnc4cc(Cl)ccc34)c(F)c2)C1 615530829 FCMFAWRNVFPUML-NRFANRHFSA-N 428.826 5.289 30 20 IKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618301180 LDCPMBPCKXSDIT-OALUTQOASA-N 425.372 5.289 30 20 IKED N#C[C@@H](C(=O)c1ccc(COc2ccc(F)cc2)o1)c1nc2ccccc2n1C(F)F 642282520 ZOSOPRPPMRITTM-INIZCTEOSA-N 425.366 5.233 30 20 IKED C=CCn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N1CCC(OC(C)C)CC1 669807061 ASLAJKGWCSHWSJ-UHFFFAOYSA-N 443.551 5.333 30 20 IKED O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 672784311 HTFGAYCWSVNOTI-BETUJISGSA-N 448.329 5.119 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1c(C(F)(F)F)nn(CC)c1C(F)F 676222773 FBMBPRPWXZDHJI-UHFFFAOYSA-N 427.826 5.403 30 20 IKED Cc1ccc(COc2ccc(C[C@H](C)NC(=O)Nc3cccc(OCC#N)c3)cc2)cc1 727225344 VHEZTTGVTOZVJU-FQEVSTJZSA-N 429.520 5.229 30 20 IKED C#Cc1cccc(N(CC)C(=O)c2cccc(COc3ccc(CCC(C)=O)cc3)c2)c1 728480575 YHCGMIWPFNYSEJ-UHFFFAOYSA-N 425.528 5.435 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 728766828 MOCDEVRVYJYSSQ-XMMPIXPASA-N 437.499 5.437 30 20 IKED COc1ccccc1SC[C@H](C)CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 729035984 KRZJJZSXJQIPHC-AUSIDOKSSA-N 445.588 5.901 30 20 IKED N#CCOc1ccc(CC(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 731958077 HIVLWTXMBFLUHE-QFIPXVFZSA-N 443.934 5.214 30 20 IKED CC(C)(C)OC(=O)NCc1cccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1 732123544 GCHLKCHNSYBRIR-UHFFFAOYSA-N 444.491 5.023 30 20 IKED CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 732398617 AJKCHSPNTMCNNY-MSOLQXFVSA-N 443.503 5.443 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](c2oc3ccccc3c2C)C(C)C)ccc1OC 733650059 IRWKQXMODXYQJM-YADARESESA-N 449.551 5.627 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)/C=C/c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 735792514 LUUYWZBTMCNXHW-NFAHFFEMSA-N 437.343 5.799 30 20 IKED COC(=O)[C@H](OC(=O)CCN1c2ccccc2Sc2ccccc21)c1ccc(C#N)cc1 740177268 CQHBRLUHEKLGAO-XMMPIXPASA-N 444.512 5.009 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N(C)C(=S)Nc2ccc(C#N)c(Cl)c2)cc1 741510345 UEKSCIQVBWOANU-MRXNPFEDSA-N 435.980 6.277 30 20 IKED COc1ccc(Cl)c(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 742992830 OLHGJKUPNCILQX-UHFFFAOYSA-N 439.924 5.830 30 20 IKED Cc1cc([C@@](C)(O)CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C)o1 743106323 XWZMQOKCVAFOEW-RDPSFJRHSA-N 437.927 5.235 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)C[C@H](C)c2ccccc2C(F)(F)F)cc1Cl 744031865 CQLCWUJCPSIFHR-SWLSCSKDSA-N 438.833 5.209 30 20 IKED COc1ccc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1SC(F)(F)F 744393794 UQEHNIMXBCJOOI-UHFFFAOYSA-N 449.498 5.029 30 20 IKED C=CC[C@@H](NC(=O)N[C@H](c1cc(F)ccc1F)c1ccccc1Cl)c1ccncc1 745827330 JIDJSVGJAIVGLE-YADHBBJMSA-N 427.882 5.719 30 20 IKED CCCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H](C)c1ccccc1OC 746658868 HPEFESUGMPXKDY-NBGIEHNGSA-N 427.548 6.356 30 20 IKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2cnn(C(C)C)c2)c1 746686417 BBYDFPCODUAYNP-ZRDIBKRKSA-N 442.519 5.230 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)Nc1ccccc1 747112056 NIQDJDZJABJZPJ-MRXNPFEDSA-N 430.316 5.007 30 20 IKED N#CCn1cc(NC(=O)/C(=C/c2cccc(OCc3ccccc3)c2)c2cccs2)cn1 747434276 AICMFUXQIWOIDT-HZHRSRAPSA-N 440.528 5.226 30 20 IKED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)C1 750687128 KRCVMHQDAUMSSE-KSFYIVLOSA-N 445.972 5.287 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 752701635 KUKGHLYHSLMEIZ-NMNUPHIUSA-N 448.567 5.576 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C2CC(F)(F)C2)c(C)c1 757885847 MHXMTWLFUIYGOC-LJQANCHMSA-N 443.519 5.061 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H]3C[C@H](O)c3ccco3)c2)cc1 758576014 DOOPCGOWSNSIHK-UPVQGACJSA-N 445.519 5.045 30 20 IKED COc1ccc(Sc2ccc(NC(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)cc2)cc1 761845590 KLYBMALTAVIVDR-DEOSSOPVSA-N 445.544 5.323 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 764200546 YBQCKPFXERWDFH-IAGOWNOFSA-N 429.586 5.057 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(Cl)nc3C(F)(F)F)cc2F)c1 766607518 BTRLZROAABQUGT-UHFFFAOYSA-N 449.791 5.596 30 20 IKED COc1ccc(Cn2nc(C)c(/C=C3\SC(=Nc4c(C)cccc4C)NC3=O)c2C)cc1 767340561 BDDKYRUCDPSLMU-XKZIYDEJSA-N 446.576 5.065 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(O)c(Cl)c2)cs1)c1ccc(F)cc1F 768752933 RMPUHFSRAYYWTQ-QPJJXVBHSA-N 434.851 5.361 30 20 IKED Cc1noc(C)c1-c1csc(=Nc2ccccc2C#N)n1[C@H](C)COCC(F)(F)F 771901911 DTTQEAAOEDOLIY-GFCCVEGCSA-N 436.459 5.065 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCc3ccc([N+](=O)[O-])cc3C2=O)cs1 773148783 HFCZZHKCSYWJLD-GZTJUZNOSA-N 433.489 5.257 30 20 IKED C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1cn(C)c2ccccc12 773980322 RIUBXGPDKPPDIP-GHTZIAJQSA-N 437.499 5.422 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)cn1 779596533 XETNANISBYQBDW-UHFFFAOYSA-N 448.498 5.630 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)C1(c2cccc(Br)c2)CCCCC1 780158233 LIBWNUBIMBSGNC-MRXNPFEDSA-N 427.342 5.581 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)Nc1ccccc1O[C@@H](C)C#N 780670856 RDRZINFZZFLOIO-ZFWWWQNUSA-N 440.956 5.946 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 782946270 NZZRMLQCIALAIZ-OAQYLSRUSA-N 449.963 5.210 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H]2CCCc3c(Br)cccc32)ccc1OC 783520557 AOQXOFMMUOKALU-UZLBHIALSA-N 429.358 5.306 30 20 IKED CC[C@@H](Cc1ccccc1)N(CC)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 785028433 OVXXGJNBNVGEEN-UIOOFZCWSA-N 439.559 5.150 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)Nc1cc(C(C)(C)C)sc1C#N 790965994 NJHLMZFCCCHWDQ-UHFFFAOYSA-N 427.570 5.836 30 20 IKED CN(C)C(=O)c1ccc(C(=O)/C=C\c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 792924530 MKJWAFPUWJOMEW-PFONDFGASA-N 441.556 5.258 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)C[C@H](CC#N)c2ccccc2)n(C2CCCCC2)c1C 795981862 PLKWTCVQUOHPFW-NRFANRHFSA-N 446.551 5.051 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccsc3)N([C@@H]3C[C@H]3C3CC3)C2=O)c1 797427567 SVAHCLWXBPNAGM-SXLOBPIMSA-N 439.606 5.124 30 20 IKED Cc1cccc(CC2(O)CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)c1 797613489 HLMWLBXPMZAIRX-SANMLTNESA-N 439.559 5.252 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1coc(C2CCCCC2)n1 802043211 TZCHRPWHHURDLP-IBGZPJMESA-N 429.476 5.476 30 20 IKED N#C[C@H](C(=O)c1ccnc(C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 808978147 FCQNWRPIQHQWCV-GFCCVEGCSA-N 442.249 6.021 30 20 IKED Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 811612567 CQSGWXPIEURSCY-UHFFFAOYSA-N 429.867 5.145 30 20 IKED C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813217121 JNHTUDXDUXNKTK-NHYWBVRUSA-N 435.858 5.659 30 20 IKED CCOc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc(OCC)c1OCC 915085416 BJKVZQXBNNOTTH-QHCPKHFHSA-N 444.531 5.790 30 20 IKED O=C(Nc1ccccc1SC(F)F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 915318651 ZHRRFJKLHIXQAC-RKDXNWHRSA-N 436.368 6.032 30 20 IKED CN(CC(=O)Nc1cccc(Cl)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915350300 QHSLGFASRXIJFF-JOCHJYFZSA-N 432.911 5.098 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1sc2nc(C(F)(F)F)ccc2c1C 920104249 NOKOAAJXFALYNX-CQSZACIVSA-N 441.434 5.619 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2coc(-c3ccc(F)cc3)n2)cc1C 920892140 IVAAYOAAFKHPEB-UHFFFAOYSA-N 444.466 5.232 30 20 IKED N#Cc1cccc(COc2cccc(CN3CCc4c(ncn4CCc4ccccc4)C3)c2)c1 929067200 MINVIPLEMIPVBT-UHFFFAOYSA-N 448.570 5.135 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5[nH]ccc5s4)cc3)CCC2)c1 1789103077 NRTXRXYPYYRJDV-UHFFFAOYSA-N 440.528 5.163 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Br)cc1C)C2 1798591695 AUMMRVDKHPQSFT-REPLKXPHSA-N 447.417 5.002 30 20 IKED CCC[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C#N)cc2Cl)C3)CC1 1801816478 KKZAYONGIZUGCQ-OSYHSXPHSA-N 442.003 5.070 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3ccoc3c2)[C@@H]1c1cccnc1 1802500653 NNWNYHDMNWRGTQ-LADGPHEKSA-N 445.563 5.140 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](C)c2ccc(Cl)cc2)C3)c1 1803675807 KGVIAPHBYUKSPU-YPVLGUGLSA-N 449.982 5.023 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)C(C)(C)CC(=C)C)[C@@H]1c1cccnc1 1810488632 GMWKTIAAVZNWNC-YADHBBJMSA-N 425.617 5.072 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)cc(C)c2)[C@H]1c1cccnc1 1811881939 UHTAKYAYGVDCMM-ISKFKSNPSA-N 433.596 5.010 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3cccnc23)[nH]n1 1819554643 LTCSLSJCCKHXDE-NRFANRHFSA-N 445.567 5.256 30 20 IKED Cc1ccc(-c2ccccc2C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](C)S)[nH]n2)cc1 1821225912 RCANRBQEUHYQTG-HTAPYJJXSA-N 448.592 5.009 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)c2cccs2)CC1 1824145016 PXYFZDMUCRNDRW-KNQAVFIVSA-N 428.642 5.240 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccs2)CC1 1825779669 XHPACAGNZJAUTF-OAQYLSRUSA-N 444.717 5.033 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)Cc2ccco2)CC1 1829071267 QWHYEOJKNGBNHW-REWPJTCUSA-N 428.617 5.070 30 20 IKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)cc1 1829689761 ORJRQSJAVPEGGO-HSZRJFAPSA-N 449.982 5.067 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(Cl)c2)CC1 1832031359 MYCFXAAQCMUQGN-HSZRJFAPSA-N 429.004 5.075 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2cccc(O)c2)c(C)s1 10172898 MTZJVOVEJBMUIH-UHFFFAOYSA-O 449.524 5.010 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2C)[n+]2ccc(C(C)(C)C)cc2)c(C)s1 11168824 JRVBZHLTRXQUCQ-UHFFFAOYSA-O 437.654 6.309 30 20 IKED CC(C)c1ccc(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2cccc(O)c2)cc1 11262739 PLLIWTQDVZJSNP-UHFFFAOYSA-O 425.961 5.507 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(COc2ccc(Cl)cc2)o1 23617794 SPNPHCIQPAAJDK-AWEZNQCLSA-N 449.985 5.059 30 20 IKED N#Cc1ccc(CCC(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)cc1 26698601 NEHQMXJOYVGTBJ-UHFFFAOYSA-N 438.409 5.139 30 20 IKED COc1cc(C(=O)Nc2ccc(C#N)cc2)ccc1OCc1ccc(Br)s1 32050479 URDAFZCCXGIGDB-UHFFFAOYSA-N 443.322 5.222 30 20 IKED N#Cc1cc2c(nc1SCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1)CCCC2 302934878 HMHXOJWVRZBNGG-JOCHJYFZSA-N 437.565 5.031 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnn(Cc3ccccc3)c2C)cc1 303121489 NDAAHMFQSSUPKG-UHFFFAOYSA-N 438.487 5.165 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]1c1nc2ccccc2s1 303363750 HYHUWHHSIIQTIA-QFBILLFUSA-N 436.606 5.324 30 20 IKED C=CCN(C(=O)C[C@@H](C)c1ccc(OC)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 427493074 QGEFQANXEMOJDR-MRXNPFEDSA-N 437.521 5.440 30 20 IKED Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 428253198 AAUFYOOWCYXDFF-UHFFFAOYSA-N 449.514 5.277 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccnn1Cc1cccc2ccccc12 429752012 MPBUBEDVNWLBQE-LOSJGSFVSA-N 435.531 5.388 30 20 IKED N#Cc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)c(Cl)c1 430361716 ZWMWORZCHYURBL-UHFFFAOYSA-N 439.899 5.334 30 20 IKED N#CCCC[C@H](NCC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1)c1ccccc1 433022649 WSAGNFGESLSHNJ-AHWVRZQESA-N 431.967 5.570 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(Oc3cccnc3)cc2)cc1F 437465797 GFFBRQRCLDGGHR-UHFFFAOYSA-N 425.419 5.929 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccccc1CN1CCc2ccccc21 437894503 GTNSZTXXWXZVSQ-SQHAQQRYSA-N 436.559 5.553 30 20 IKED CC(C)Sc1c(Cl)cccc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 438256296 OYCMWIICFULVOF-UHFFFAOYSA-N 443.016 5.452 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1ncc(-c2cccc(Br)c2)o1 441277570 PGCFLIAYYMZVHD-UHFFFAOYSA-N 428.286 5.201 30 20 IKED N#C[C@H](C(=O)c1ncoc1-c1ccccc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 442685856 KRLLNFVFBUFTCN-OAHLLOKOSA-N 440.311 6.262 30 20 IKED Cc1cc(C)c2ncc(C#N)c(N3CCC[C@H](c4nc(-c5cccc(F)c5)no4)C3)c2c1 462805234 UHBKTRRIKMCVOP-SFHVURJKSA-N 427.483 5.296 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2Cc3ccc(O)cc3C3(CC3)C2)cc1 462840244 QJNJKYGNZGKTQX-UHFFFAOYSA-N 426.541 5.244 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)ccn1 464661284 FWGYOZLZNZHRHC-UHFFFAOYSA-N 448.507 6.021 30 20 IKED CC[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1nc(C(F)(F)F)cs1 467705295 PVZDDAIHWQVAGY-VXGBXAGGSA-N 428.505 5.829 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(CCC(F)(F)F)CC(F)(F)F 468531749 XITYUJHBCDKQJL-UHFFFAOYSA-N 448.285 5.626 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 468621967 NIQZRKBNOZVDRA-UHFFFAOYSA-N 445.306 5.275 30 20 IKED C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)c1cccc(SCC#N)c1 469299322 GXWBTJYYMXMSPC-KZULUSFZSA-N 433.396 5.278 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)cc1 469473340 YAGQORJYGZIESS-HXUWFJFHSA-N 431.458 5.380 30 20 IKED N#CCC[C@@H](NC(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1)c1ccccc1 474018580 UNXBOVCSJAVYKJ-WOJBJXKFSA-N 433.499 5.550 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccnc1Oc1cccc(OC)c1 475549557 QKODBTPONOSWNT-UHFFFAOYSA-N 431.536 6.056 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 478845671 WDLKFWWBCKYCNJ-UHFFFAOYSA-N 444.453 5.061 30 20 IKED C=C(C)[C@H](NC(=O)Cc1csc(COc2ccc(C)cc2)n1)c1ccc(F)c(F)c1 478909470 KNPBNFKZJQOGCS-QHCPKHFHSA-N 428.504 5.285 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cccc(Oc3cccnn3)c2)c1 479805850 RIPHZCBJLDJLGW-UHFFFAOYSA-N 442.862 5.839 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)[C@@H](OC)c2ccccc2Cl)cc1 480847020 RXZSKBMEKWQBJA-VGOFRKELSA-N 441.959 5.052 30 20 IKED Cc1cc(Br)cc(Cl)c1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 480857795 PVYODLJJGSLAEI-UHFFFAOYSA-N 432.730 5.658 30 20 IKED O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1c(F)c(F)cc(F)c1F 480858474 SBBFREHOMSPQHZ-UHFFFAOYSA-N 448.269 5.841 30 20 IKED Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)[C@H](C#N)c1nc2ccccc2s1 482557641 PGCVTEHGZGOIOP-AWEZNQCLSA-N 427.407 5.769 30 20 IKED C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 483467199 HQAPHMXHIFQDDA-LJQANCHMSA-N 439.515 5.617 30 20 IKED N#Cc1ccccc1N1CCCN(C(=O)Nc2cccc(COc3ccc(F)cc3)c2)CC1 485118087 KWIDNYUPOTVKJX-UHFFFAOYSA-N 444.510 5.021 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CCCOc3ccc4c(c3)NC(=O)CC4)cc2)c1 485947760 VCAYCKQMJOJXFW-UHFFFAOYSA-N 441.487 5.033 30 20 IKED C=CCC[C@@H](NC(=O)C1CCC(OC[C@@H]2CCCO2)CC1)c1ccc(C(F)(F)F)cc1 486781209 STZKFNYXIDEHCW-WTXPMHKTSA-N 439.518 5.583 30 20 IKED Cc1ccc(C(=O)N[C@@H](CCCC#N)c2ccccc2)cc1NC(=O)Nc1ccccc1 487570019 UFIWILSQKPRXQG-QHCPKHFHSA-N 426.520 5.804 30 20 IKED Cc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1N1CCNC1=O 487716696 GAFLLFORBFTWBR-UHFFFAOYSA-N 446.894 5.094 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2nnc(/C=C/c3ccco3)s2)cc1 490234287 AIWUSKGGWAJZAJ-VAWYXSNFSA-N 428.473 5.004 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cc(F)c(OC(F)F)cc3F)cc2)cc1 490274587 UBKUJZAHFWZXHF-UHFFFAOYSA-N 430.357 5.677 30 20 IKED C[C@@H](NC(=O)C1CCC(OC[C@@H]2CCCO2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 498945447 BHVCYSXTSKLCDJ-MNULLNJDSA-N 432.564 5.157 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1OC(F)F 502665618 UTMXWNYTRGTVPY-UHFFFAOYSA-N 429.236 5.410 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(OC)c(OC)cc1C 502682179 TZVNZYJAPYWWHU-UHFFFAOYSA-N 437.309 5.134 30 20 IKED CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 503297672 YLDDRDMHWZFMPH-HRAATJIYSA-N 444.000 5.528 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)c3cc(C(F)(F)F)ccc3Br)CC2)cc1 503960372 GKZXFVYDORVVOC-UHFFFAOYSA-N 435.243 5.269 30 20 IKED N#Cc1ccc(CN2CCCN(C(=O)c3ccc(-c4cccc5cccnc45)cc3)CC2)cc1 505893291 CMMIKWDLUKRWBG-UHFFFAOYSA-N 446.554 5.122 30 20 IKED Cc1c(C#N)cccc1C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 509443977 JMIDOFLZVRPYTM-UHFFFAOYSA-N 425.275 5.073 30 20 IKED CCN([C@H](c1ccc(Cl)cc1)c1ccccn1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 510233831 QRTYDQSDXWOTAZ-OAQYLSRUSA-N 446.359 5.060 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCCc1nnc(-c2ccccc2)o1 510239733 JVTMLQHWEKKPHZ-UHFFFAOYSA-N 438.487 5.670 30 20 IKED N#Cc1cc(NC(=O)c2cccc(C(=O)Nc3ccc(Cl)c(C#N)c3)c2)ccc1Cl 514562806 ZEUGKVSESVTAOT-UHFFFAOYSA-N 435.270 5.241 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1c[nH]c2cc(Cl)ccc12 517460870 CCBKGMJSWAGWDS-UHFFFAOYSA-N 437.874 6.027 30 20 IKED CCN(CC)C(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1Cl 517781204 OQEIZBIAKPAROC-UHFFFAOYSA-N 426.948 5.136 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3OCc3cscn3)n2)cc1 517800862 MFCFSZNFAQZBHS-IBGZPJMESA-N 447.541 5.344 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 520194492 WYUDGCYOZUMLRC-OAHLLOKOSA-N 435.018 5.145 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 520362856 DFKDBINOGHHCFY-DEOSSOPVSA-N 441.600 5.245 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H](c3cccs3)N3CCCC3)cc2)cc1 520598115 SAYNRHSVSQAHNH-QFIPXVFZSA-N 432.549 5.371 30 20 IKED N#CCCN(Cc1cccnc1)C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 520706065 PRLUZWPRCAFIGE-UHFFFAOYSA-N 431.439 5.265 30 20 IKED N#Cc1ccccc1COc1cccc(CNCc2cc(F)cc(Br)c2)c1 520950348 QBKNDFFFVSFBFA-UHFFFAOYSA-N 425.301 5.329 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)cc1 521244025 DNBRZJFSFVRASK-FQEVSTJZSA-N 427.479 5.114 30 20 IKED Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)c4cccc(CC#N)c4)cc3s2)s1 522577268 FEZRGUZLXZUQEO-UHFFFAOYSA-N 432.530 5.237 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3csc(-c4cc(Br)cs4)n3)[nH]c12 522828741 ZESJJVHCDUIQQC-NSHDSACASA-N 443.351 5.309 30 20 IKED C[C@@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524439067 FFSDOEYWIPZKAD-INIZCTEOSA-N 435.911 5.249 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CSc3ccc(F)c(F)c3)cc2F)c1 524454695 SXLDAYQAEBUDQQ-UHFFFAOYSA-N 428.435 5.285 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(Cl)cc3cccnc23)cc1C 532312540 KUBJTURDSPCPTM-UHFFFAOYSA-N 429.911 5.535 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H](C)c1ccc(C(F)(F)F)cc1 532490325 XKDJSRMWNYZUPC-JKSUJKDBSA-N 435.515 5.731 30 20 IKED Cc1csc(C2(NCCC(=O)Nc3sc4c(c3C#N)CCCCC4)CCCC2)n1 533523928 WSKYDURIIDFREQ-UHFFFAOYSA-N 428.627 5.041 30 20 IKED C=C(C)[C@@H](CC(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1)OCC 535881068 YOXZLRRSOUQXCJ-HXUWFJFHSA-N 434.895 5.050 30 20 IKED COc1ccc(CN2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)cc1OCCCC#N 539839602 WYEBWFDKBVMCRA-JOCHJYFZSA-N 446.595 5.688 30 20 IKED COc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)c3ccccc3n2)cc1 540946928 TZIFKBMRCSVBFJ-NRFANRHFSA-N 432.483 5.287 30 20 IKED C[C@@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)Nc1ccccc1OC(F)F 541075824 QDIUMXLZSSQUIZ-IAGOWNOFSA-N 435.474 5.504 30 20 IKED N#Cc1ccc(CN(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)C2CC2)cc1 543305172 CBWSBPGLARUVEN-VWLOTQADSA-N 434.543 5.546 30 20 IKED Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 543852038 GOBYJFJBGXWTNZ-IBGZPJMESA-N 440.547 6.011 30 20 IKED N#Cc1ccc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)cc1Cl 548304000 KBFGNAAQFCGDQZ-UHFFFAOYSA-N 448.885 5.193 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 563854823 IBYZWALSTLHNFG-RPVQJOFSSA-N 430.371 5.521 30 20 IKED COC(=O)c1c(CNC2(c3cccc(C#N)c3)CC2)nc2ccccc2c1-c1ccccc1 564107246 ABAOWVMAFFCOEX-UHFFFAOYSA-N 433.511 5.339 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1nc2ccccc2o1 579136230 DSSZLXSYMIRKEH-INIZCTEOSA-N 436.393 5.400 30 20 IKED Cc1nnc(-c2ccccc2NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)o1 579485876 TWKMKPQUMFRASI-UHFFFAOYSA-N 430.851 5.615 30 20 IKED CC(C)(C(=O)NCc1ccc(C#N)cc1F)c1csc(-c2c(Cl)cccc2Cl)n1 586774810 ZEDZQUNYKFVGJM-UHFFFAOYSA-N 448.350 5.722 30 20 IKED CCN(Cc1c(F)cccc1F)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 586792103 HLWOWXNBJOFRCB-GHMZBOCLSA-N 432.355 5.406 30 20 IKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)c12 587988739 MOOOANBZSHTTHA-MRXNPFEDSA-N 440.356 5.241 30 20 IKED CC(C)(C)c1ccc(Cl)cc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 588300335 WPPGKWKONHBGDP-UHFFFAOYSA-N 429.923 5.724 30 20 IKED COc1cc(CCC(=O)Nc2ccc(F)cc2C(F)(F)F)ccc1OCC(F)(F)F 590253261 JGMMJBDDEYFQPM-UHFFFAOYSA-N 439.327 5.366 30 20 IKED C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1nc2ccccc2n1C(F)F 590478007 BYHCXIMXIRCVBG-HNNXBMFYSA-N 448.498 5.945 30 20 IKED Cc1ccc(-n2nc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c3c2CCC3)c(C)c1 592973797 HJWSCBKQPOXXCA-KRWDZBQOSA-N 430.508 5.217 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(-c2nc(C(C)(C)C)no2)c1 598612358 UXBUDFMPIXLZBM-UHFFFAOYSA-N 431.945 5.069 30 20 IKED CSc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1NC(C)=O 603779023 MTSSJWUEHOFGFQ-OAHLLOKOSA-N 441.622 5.703 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N[C@@H](C)c1ccc(C#N)cc1 603872262 OARALQLTGHAWPG-ZDUSSCGKSA-N 441.915 5.464 30 20 IKED CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1sc2c(c1C#N)CCCCCC2 603996514 UPCPOQUWSAAJQZ-HXUWFJFHSA-N 444.000 5.325 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ccc(Br)s2)n1)c1ccc2ccccc2n1 606752852 DFHCRXGBCQJBOR-LBPRGKRZSA-N 440.347 5.672 30 20 IKED C=CCN(C(=O)c1ccc(CNC(=O)C(C)(C)C)cc1)c1nc(-c2ccccc2)cs1 607443495 AUXAGLXLESFPIZ-UHFFFAOYSA-N 433.577 5.305 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)c1 608806410 HMOFSPQYHDOKLA-UHFFFAOYSA-N 427.338 5.143 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1c(C)nc2ccccc2c1C 609060562 IMTMNBSGEMNYJY-UHFFFAOYSA-N 435.527 5.792 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)c1 609068025 FWRLNRXBCRVBGD-UHFFFAOYSA-N 434.398 5.737 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CCCOc1ccccc1 609078907 COUCVLXLBRTCIG-UHFFFAOYSA-N 429.520 5.379 30 20 IKED COc1ccc2c(ccn2CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 609381654 FDWQJVKEQPXNQG-UHFFFAOYSA-N 433.455 5.313 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)c(OC)c1 609434592 BAFLSMWQAPDTKD-OXJNMPFZSA-N 425.554 5.467 30 20 IKED C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 609681995 DTVUZNROWNZTOB-RDPSFJRHSA-N 425.532 5.742 30 20 IKED C[C@H](c1ccccc1)N1CCC(NCc2cccc(OCc3ccccc3C#N)c2)CC1 609708369 IKPDOZMCDSGMMC-JOCHJYFZSA-N 425.576 5.452 30 20 IKED Cc1cccc([C@H]2CCCCCN2C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 609813302 WFYZYGMIJBCMFH-SIKLNZKXSA-N 435.593 5.472 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2ccccc2Cl)cc1 610093156 XIFSCHRYILJZBI-HSZRJFAPSA-N 433.939 6.061 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)c(Cl)c1 611094321 DYSNDYSRIFRRMK-UHFFFAOYSA-N 426.259 5.009 30 20 IKED Cc1c(C#N)c(NC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)n(-c2ccccc2)c1C 611467302 GSMKSODMWBBPBJ-UHFFFAOYSA-N 445.910 5.241 30 20 IKED Cc1c(C#N)c(NC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)n(-c2ccccc2)c1C 611467573 RSCSAEKFYPBRSX-UHFFFAOYSA-N 434.927 5.466 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@H](C(F)(F)F)CC[C@@H]2C)cc1 611556898 UYJSYTDQNFJXJV-GOEBONIOSA-N 433.430 5.554 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)nc2sccc2c1=O 613440227 JQTJHIHRQCBOIA-JKSUJKDBSA-N 449.601 5.155 30 20 IKED C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618450077 KXIJGSGEFIIONE-USWWRNFRSA-N 436.318 5.095 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 670203684 VTYQLNIADRAZNB-NRFANRHFSA-N 443.551 5.096 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC(Oc2ccccc2Cl)CC1 677211273 FUARBGYLRDPKBX-UHFFFAOYSA-N 431.923 5.210 30 20 IKED CO[C@H](c1ccccc1F)[C@H](C)NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 678852842 JSONFSPXOHPLSV-WKIHFJMMSA-N 444.391 5.110 30 20 IKED N#CCOc1ccc(CNC(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 727844691 HIHAQUDFCJCGFE-UHFFFAOYSA-N 440.330 5.485 30 20 IKED Cc1cc(C(=O)Nc2nc(CN3CCCCCC3)cs2)c(C)n1-c1ccc(C#N)cc1 728269773 WXCSZVPVQXDLDM-UHFFFAOYSA-N 433.581 5.051 30 20 IKED C=CCOc1ccc(/C=C/C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc1OC 729308696 JLMWTOLLISRIQW-UBRULYAKSA-N 439.515 5.055 30 20 IKED N#C[C@H](C(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1)c1nc2ccccc2s1 730394625 JJYIVTQOGNZUQZ-ZHRRBRCNSA-N 436.508 6.284 30 20 IKED N#C[C@H](C(=O)COc1ccc(C2SCCCS2)cc1)c1nc2cc(F)ccc2s1 730422145 UTEPCNXXWXADMV-MRXNPFEDSA-N 444.578 5.559 30 20 IKED C=CCN(CC1CCCCC1)Cn1nc(Nc2cccc(NC(C)=O)c2)sc1=S 732667651 ATOTVGCQBPYWIL-UHFFFAOYSA-N 431.631 5.402 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)NCc3cccc(O[C@H](C#N)CC)c3)c12 733770600 FITNWYOSYOSSIT-KRWDZBQOSA-N 444.491 5.046 30 20 IKED CC(C)OC(=O)NCc1ccc(NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 735173421 DGEPIMUEHYPDMS-INIZCTEOSA-N 426.542 5.359 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)N[C@H]1CCOc2ccccc21 741490245 RZKKLSYTGQKUNR-QHCPKHFHSA-N 429.545 5.256 30 20 IKED COc1ccc(/C=C(/Cl)c2nc(O)c3c(-c4ccc(C)cc4)csc3n2)cc1C#N 741852515 MUIDCAOLHLWWRK-VCHYOVAHSA-N 433.920 5.990 30 20 IKED Cc1cc([C@](C)(O)CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C)o1 743106321 XWZMQOKCVAFOEW-GBXCKJPGSA-N 437.927 5.235 30 20 IKED N#C[C@@H](C(=O)CCCOc1cccc(Cl)c1Cl)C(=O)Nc1ccc(Cl)cc1 743449774 UOTBBSSESWAXMI-AWEZNQCLSA-N 425.699 5.153 30 20 IKED C=CCN(Cc1cccc(C#N)c1)Cn1nc(Nc2ccccc2OCC)sc1=S 745161756 BBHFINZYJFQOON-UHFFFAOYSA-N 437.594 5.334 30 20 IKED C=CCOc1cn(-c2ccccc2)nc1C(=O)O[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C 746928223 IDSPBVKSOKACFK-IBGZPJMESA-N 447.535 5.053 30 20 IKED CC(=O)Nc1ccc(/C=C(\C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cc1 747154400 AXTUJAYJJHUREM-JCMHNJIXSA-N 446.934 5.820 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(OC(F)F)c(OC)c2)ccc1OCC(F)(F)F 750901230 PTQDFJLHXJXAGM-ZZXKWVIFSA-N 432.341 5.142 30 20 IKED O=C1/C(=C\c2cccc([N+](=O)[O-])c2)CC2(CCOCC2)C/C1=C/c1cccc([N+](=O)[O-])c1 751517294 KRWZJJNDDMVRQG-YZLQMOBTSA-N 434.448 5.130 30 20 IKED CC(C)Cc1ccc(CCC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 752472874 AJVLWTUISPBMGO-LJQANCHMSA-N 433.577 5.283 30 20 IKED COc1ccc(NN=Cc2c(C(C)C)nn(Cc3ccccc3)c2Cl)c([N+](=O)[O-])c1 754711879 ZFYMNSWMVLPPPD-UHFFFAOYSA-N 427.892 5.071 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccc([N+](=O)[O-])cc1F 755616221 WYBOAFYYRDYRIO-MEDUHNTESA-N 429.860 5.491 30 20 IKED CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 764563180 UUBHYJWRPAGAAQ-CABCVRRESA-N 445.972 5.163 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 766482019 NYOVAWLVMVULFT-QUCCMNQESA-N 437.565 5.068 30 20 IKED Cc1cccc(-c2cncc(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)c2)c1 768681710 XSJIQYMVZODGAM-SFHVURJKSA-N 445.544 5.104 30 20 IKED N#Cc1ccc(NC(=S)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1Cl 771848235 SXNCOLADRCPQAB-LLVKDONJSA-N 430.908 5.263 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccccc2C)[n+]2c(C)ccc(O)c2Cl)c1 777514250 LYOMAXFTPAZGAX-UHFFFAOYSA-O 435.956 5.255 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1SCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 777570512 OCJVOABLOKBXMT-CQSZACIVSA-N 444.463 5.064 30 20 IKED CC(C)n1cc2c(n1)[C@H](NC(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)CCC2 780410902 HJEIDOUUJJYZNX-XMMPIXPASA-N 443.551 5.308 30 20 IKED CCN(CC)[C@@H](CNC(=O)Nc1ccccc1O[C@@H](C)C#N)c1ccc(C(F)(F)F)cc1 780675860 HTONXLWFAQSMRD-JXFKEZNVSA-N 448.489 5.201 30 20 IKED Cc1cc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(C)s1 783364375 NJVRZIWEGDCPAO-AWEZNQCLSA-N 430.501 5.606 30 20 IKED Cc1ccc(Br)nc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 786619726 ZFNVHXLIJMMVLX-UHFFFAOYSA-N 436.309 5.050 30 20 IKED Cc1nc(-c2ccccc2)sc1C(=O)/C=C\c1cn(CCC#N)nc1-c1ccncc1 788356706 VILWEYUVUUCWFF-HJWRWDBZSA-N 425.517 5.187 30 20 IKED O=C(/C=C/c1ncc(I)s1)c1ccc(SCC(F)F)cc1 794699212 DMGFPVSCTZTTMJ-AATRIKPKSA-N 437.274 5.001 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN2CCC([C@H](F)c3ccccc3F)CC2)c1=S 795652216 ANFQWHQHUBHDDX-NRFANRHFSA-N 441.551 5.181 30 20 IKED N#CC1CCC(CNC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)CC1 799387844 PXCNAPRZSGRGFX-UHFFFAOYSA-N 441.641 5.068 30 20 IKED COc1ccc(CNc2cc(C(F)(F)F)cc(Br)n2)cc1OCCCC#N 806671333 PBANFBHRBJJHPI-UHFFFAOYSA-N 444.251 5.166 30 20 IKED COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 812086298 YUTLEGFQZAAVTP-FQEVSTJZSA-N 442.350 5.111 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1cccc(Br)c1 813064288 LUPLPBBPJBQSBS-FZKQIMNGSA-N 436.334 5.424 30 20 IKED C[C@H](Sc1ccc(Br)cc1)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813211579 MQMLFLLPKKQBCA-IINYFYTJSA-N 429.261 5.220 30 20 IKED Cc1cc(C#N)cnc1C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CCC(=O)[C@]4(C)CC[C@@H]32)C1 815966470 XPFSVLLDSGFGGT-AIQMMXIVSA-N 432.564 5.319 30 20 IKED Cc1c(C(=O)N2CCC(O)(c3ccccc3C(F)(F)F)CC2)sc2ccc(C#N)cc12 816494491 NOHWVAVSGVAGIC-UHFFFAOYSA-N 444.478 5.224 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(-c4ccncc4)nc4ccccc34)s2)cc1 875061726 KOBUGCNMDAJRMV-UHFFFAOYSA-N 447.523 5.468 30 20 IKED CC(C)(C)OC(=O)NC1(c2noc(-c3ccc(Oc4cccc(F)c4C#N)cc3)n2)CC1 904997976 QJSPLLJVNUGSMR-UHFFFAOYSA-N 436.443 5.053 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(OC(F)(F)F)cc1 916906827 VPKHMUOJXNHLRZ-SFHVURJKSA-N 440.377 5.339 30 20 IKED Cc1ccc(SCCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916907353 YDANCEXWVCBLDM-NRFANRHFSA-N 430.529 5.617 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1 916910072 OAPRVVCFJOTOHP-INIZCTEOSA-N 431.542 5.548 30 20 IKED Cc1cc(Cl)ccc1O[C@H](C)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916927864 PNLBFRLFTGWILO-RISCZKNCSA-N 425.699 5.070 30 20 IKED Cc1cc2occ(CC(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2cc1C(C)C 916927925 QAENAKJZMMFVGD-GOSISDBHSA-N 443.330 6.062 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(COc2ccccc2)cc1 916928005 RNROJPOIZPHMFU-IBGZPJMESA-N 439.298 5.534 30 20 IKED N#C[C@@H](C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1ccc(F)c(Cl)c1 916936501 MZXXBVBYUJQRLP-DFICIIQISA-N 445.199 5.512 30 20 IKED Cc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cs2)cc1 916945707 YLRVFUKRZCYTDD-MRXNPFEDSA-N 430.316 5.387 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCCCc2nc3ccccc3s2)cc1 916955289 NZJUGZRMVQVCRL-XLIONFOSSA-N 433.577 5.870 30 20 IKED N#C[C@@H](C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)c1nc2cc(Cl)ccc2s1 917043770 NBQUMKPDGNPCMX-QBUQCISBSA-N 449.963 5.078 30 20 IKED Sc1nnc([C@@H]2CCCO2)n1N=Cc1c(Cl)cccc1OCc1ccccc1Cl 917543940 UHRZPNCVBHOIKH-SFHVURJKSA-N 449.363 5.186 30 20 IKED COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1F 917559740 NFACTJZTXRQYOO-RMKNXTFCSA-N 430.888 5.525 30 20 IKED Cc1ccc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(C(C)(C)C)cc2)c1 917613667 PXQMXMABURYTDS-UHFFFAOYSA-O 428.581 5.775 30 20 IKED COc1ccc2cc(-c3nn(-c4ccccc4)cc3C=NNc3oc(C)nc3C#N)ccc2c1 920829359 NNXKJURYWUHMBT-UHFFFAOYSA-N 448.486 5.315 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)CCc4c[nH]c5ccc(F)cc45)CCC3)cc2)C1 1785810166 FHYQSZBGEPAIBK-UHFFFAOYSA-N 445.538 5.340 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3c(F)cncc3F)CCC2)cc1 1785842712 IWRHYWLWTFAXDY-UHFFFAOYSA-N 427.495 5.100 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(C(F)(F)F)c1C)C2 1798593855 QHXADMJZUGTAGJ-BCDXTJNWSA-N 436.518 5.258 30 20 IKED C=C1CC(C(=O)N2CCC3(CCCN(C(=O)[C@H](c4ccc(Cl)cc4)C(C)C)C3)CC2)C1 1805635741 LAGAUMYNRKPWOU-QHCPKHFHSA-N 443.031 5.277 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C3CC3)cc2)[C@H]1c1cccnc1 1811835842 XRVICHJDXGQBJJ-IZZNHLLZSA-N 443.591 5.047 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](CC)c2ccccc2)[nH]n1 1819304449 BIWQWWBPNFLJKA-XPNTWCBSSA-N 434.584 5.364 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](F)c2ccccc2)CC1 1824855921 XOMKEFMYWZQRFN-GOTSBHOMSA-N 428.592 5.309 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2onc3ccccc23)CC1 1830919884 BCGBGRCUIFYHBU-JOCHJYFZSA-N 437.584 5.054 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cccc(C)c2)cc1 10167362 BIMQNTRWVJWUCH-UHFFFAOYSA-O 425.524 5.564 30 20 IKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2cccc(O)c2)cc1 10831172 RYNGRFQPNOQSII-UHFFFAOYSA-O 425.961 5.507 30 20 IKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccccc2)cc1 11252630 OLIZNWPEORNEKS-UHFFFAOYSA-O 447.580 5.325 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)nc2sc(C)c(C)c2c1=O 16715561 OEUVUAZBXYGPEZ-AWEZNQCLSA-N 448.013 5.342 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(F)cc2)cc1 22730530 IUPACKPLSAHXQD-UHFFFAOYSA-O 441.617 6.438 30 20 IKED N#Cc1c(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)sc2c1CCC2 58030220 MTMVLQXSAQQXDI-UHFFFAOYSA-N 435.574 5.384 30 20 IKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)nnc1-c1ccoc1C 63415633 YCGNAKJCVYZTHD-UHFFFAOYSA-N 448.335 5.682 30 20 IKED N#CCCn1cc(CNCC2(c3ccccc3Br)CC2)c(-c2ccccc2)n1 236571365 KOVPURRIMHLFCC-UHFFFAOYSA-N 435.369 5.048 30 20 IKED N#Cc1cccc(OCCCCC(=O)N(Cc2cccc(Br)c2)C2CC2)c1 303424036 DHBRWPQUMWMEFS-UHFFFAOYSA-N 427.342 5.061 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)NC3(c4cccc(Cl)c4)CC3)s2)cc1 303901768 QOCWDAYZNNYTHF-UHFFFAOYSA-N 441.969 5.166 30 20 IKED COc1ccc2oc([C@H](C)NC(=O)c3cnn(CCC#N)c3-c3ccccc3)c(C)c2c1 428709480 MBTYAJMMXRSZDH-KRWDZBQOSA-N 428.492 5.018 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(OC[C@H]2CCCCO2)CC1 429031428 UGQMWGMCYUQDGL-XMMPIXPASA-N 449.551 5.241 30 20 IKED Cc1csc(Nc2ccc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)cc2)n1 429980869 UTDMOKOIMZGGHI-UHFFFAOYSA-N 428.521 5.225 30 20 IKED Cc1nn(-c2ccc(Br)cc2)cc1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 430590170 HBEOKEHWKUQXQL-OAHLLOKOSA-N 443.370 5.187 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@H](c4ccc(F)cc4)C3)c2)cc1 431879673 FBNNEZOKKKNXPJ-QFIPXVFZSA-N 429.495 5.492 30 20 IKED COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)N[C@@H](CCCC#N)c1ccccc1 432825913 WFYDATQZQWFBSL-QFIPXVFZSA-N 448.567 5.268 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(C(=O)c4ccc(F)cc4)CC3)cc2)c1 432862969 BPHVQBANBXJTIJ-UHFFFAOYSA-N 443.478 5.616 30 20 IKED COc1ccccc1N(C(C)=O)c1nc(CN[C@H](CCCC#N)c2ccccc2)cs1 433021906 ZLHIYFFNKPLCOE-OAQYLSRUSA-N 434.565 5.361 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Sc3ccncc3)cc2)o1 435378087 HCQRLAKGYVJDTM-UHFFFAOYSA-N 427.485 5.529 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2nc(C3CC3)no2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 435461530 XMUBQPSQJXCUHH-SFHVURJKSA-N 446.919 5.881 30 20 IKED CC(C)CCN(CCC#N)C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O 436569003 YRDCBLRLICFLIQ-UHFFFAOYSA-N 448.350 5.353 30 20 IKED CCCCOC1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 437958897 ULVMZTWRLFTQLR-UHFFFAOYSA-N 441.959 5.604 30 20 IKED COc1cccc(C2(F)CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)c1 439523493 XTBGDWHRQWSWSP-KRWDZBQOSA-N 427.545 5.582 30 20 IKED C=CCC[C@@H](NC(=O)NCc1csc([C@@H](C)OC)n1)c1ccc(C(F)(F)F)cc1 440848313 VOCKIJNZIPQDRC-CXAGYDPISA-N 427.492 5.376 30 20 IKED C=CCC[C@H](NC(=O)N(C)Cc1cn(C)nc1C(F)(F)F)c1ccc(C(F)(F)F)cc1 441547355 WNKHKGMYRGXCJZ-INIZCTEOSA-N 448.411 5.307 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1OC)c1ccc(C(F)(F)F)cc1 442093062 CMIGUTJYMWNJLZ-MRXNPFEDSA-N 440.849 5.130 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N(CCO)[C@@H]2CCc3ccccc32)cc1F 443921844 OMCAWNSNPUMZBY-JOCHJYFZSA-N 431.467 5.003 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc2nc(C(C)C)sc2c1 446520030 IQXNBEIHUBYTOX-UHFFFAOYSA-N 433.986 5.288 30 20 IKED N#Cc1cccc(-c2nnc(N3CCCC[C@@H]3c3ccccc3)n2C[C@@H]2CCCCO2)c1 461854616 ROIOZFSEZBAEOX-BJKOFHAPSA-N 427.552 5.117 30 20 IKED C[C@H](NC(=O)[C@H](C)c1cccc(C#N)c1)c1nc(-c2ccc(Br)cc2)cs1 462244334 FLHJKEHPBVPSFN-KGLIPLIRSA-N 440.366 5.425 30 20 IKED C[C@H](NC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(-c2cccc(C#N)c2)cc1 463005469 APIMTMCDXFAIIU-YZYNAAERSA-N 425.532 5.506 30 20 IKED N#CCCCOc1cccnc1NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 466607243 DERJOOUVFCSIMU-OAHLLOKOSA-N 446.351 5.208 30 20 IKED N#C[C@H](C(=O)c1cc(Oc2ccccc2)ccn1)c1nc(-c2c(F)cccc2F)cs1 466984100 MANZLJJNNCGSFH-MRXNPFEDSA-N 433.439 5.766 30 20 IKED Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1 470259836 UKUQNHWRIUGPHN-RSXGOPAZSA-N 426.516 5.096 30 20 IKED C[C@@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccc(-c2ccncc2)cc1 470467961 QVFCBEMSGIWWRZ-PNEAOOGRSA-N 440.547 5.371 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3ccc(N[C@H](C)c4ccccc4)cc3)C2)n1 471998257 MQKAORPRBGHZBT-OFNKIYASSA-N 439.563 5.290 30 20 IKED N#Cc1ccc(CN[C@@H](Cc2ccccn2)c2ccc(Br)cc2)c(Cl)c1 475740464 QTJVWELYFZBSMK-NRFANRHFSA-N 426.745 5.443 30 20 IKED COc1cc(CN(C)[C@H](C)c2ccc([S@@](C)=O)cc2)ccc1OCc1cccc(C#N)c1 477076910 PQFWFEBIZHMYMB-AYLZSAKASA-N 448.588 5.076 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 480766955 UBMISVXHGUBESW-UHFFFAOYSA-N 430.512 5.277 30 20 IKED CCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)[C@H](c1cccnc1)c1csc2ccccc12 480935857 CRNFQKIKZRFHFE-AVRWGWEMSA-N 441.556 5.573 30 20 IKED C=CCn1c(SCc2ccc(C(=O)Nc3ccccc3)cc2)nnc1-c1ccccn1 481390826 MUDDRMAGWCBZLM-UHFFFAOYSA-N 427.533 5.071 30 20 IKED C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccc([N+](=O)[O-])c1 481565635 DACMMXZGGNISOY-HNNXBMFYSA-N 434.427 5.067 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H]3Cc3ccccc3)cc2F)c1 481741551 MFRYXFOWDWWOEH-QHCPKHFHSA-N 429.495 5.515 30 20 IKED Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 483294763 WWXIZGIPAKRXCF-UHFFFAOYSA-N 435.789 5.369 30 20 IKED CCOc1ccccc1Oc1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 484553315 BWOJCHPSCDXQKO-KRWDZBQOSA-N 447.441 6.112 30 20 IKED Cc1c([C@H](C)NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)oc2ccccc12 484568725 HXDCHQFAPTWJTP-KRWDZBQOSA-N 439.471 5.221 30 20 IKED C[C@@H](NC(=O)c1cnn(-c2ccncc2)c1C(F)F)c1ccc(-c2cccc(C#N)c2)cc1 486140920 AVDKOJMQKZPTJS-MRXNPFEDSA-N 443.457 5.235 30 20 IKED Cc1c(C(=O)Nc2ncccc2OCCCC#N)oc2c(C)cc(Br)cc12 488352929 HSTACMPQEJNAMU-UHFFFAOYSA-N 428.286 5.142 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2C)n1CC=C 488881306 SGSNPPZOLTXJJU-UHFFFAOYSA-N 436.606 5.448 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(Cl)c1OCC(F)F 497665761 JBXTYGVZMOIDQG-UHFFFAOYSA-N 426.895 5.372 30 20 IKED COc1cccc(/C=C(\CC(=O)NCc2ccc(C#N)cc2)c2nc3ccccc3s2)c1 499242558 HBWQRCUUVBRIHP-FYJGNVAPSA-N 439.540 5.424 30 20 IKED N#CCc1ccc(NC(=O)[C@@H](Oc2ccc(Br)cc2F)c2ccccc2)cc1 499736294 DWTULAFBVQBINV-NRFANRHFSA-N 439.284 5.413 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(OCc3cccc(F)c3)c2)cc1 502650382 GVVFVNYSVQFCQA-UHFFFAOYSA-N 434.471 5.356 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2O)cc1 505691740 KCZAPQFLLKEHKA-UHFFFAOYSA-N 437.455 5.379 30 20 IKED C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 506311448 TWSNDXXGBZQXKN-NHCUHLMSSA-N 448.611 5.210 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccccc2OCc2cscn2)cc1 507878801 ZSOJUZKRRQLLKI-UHFFFAOYSA-N 427.485 5.638 30 20 IKED CCN(C[C@@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc3c(c1)OCO3)CC2 509724829 PUWKORYBOOVYNC-DAQNXSASSA-N 439.515 5.072 30 20 IKED N#Cc1ccc(OC2CCC(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)CC2)nc1 509945007 RGHOPWMKIXFJCD-OWWUNANSSA-N 443.572 5.293 30 20 IKED O=C(CN[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)Nc1ccccc1C(F)(F)F 510443517 LLNXLDSGTVRLBW-HNNXBMFYSA-N 442.306 5.139 30 20 IKED C=CCN(Cc1ccc(OC)cc1)Cc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1 510627243 BMOAFPKLVPSBTE-UHFFFAOYSA-N 441.984 5.678 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1 511323297 SWSXPQPDPZGDCC-VWLOTQADSA-N 445.950 6.354 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(c3ccccc3)CC2)cc1 511396139 FPNNPGLIKHYORT-UHFFFAOYSA-N 425.532 5.743 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 511832069 MQMJMUCMSAOTQI-NRFANRHFSA-N 449.476 5.248 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccc(Cl)cc4)c3)n2)cc1 512494147 NEGDMOQWXUYYLW-IBGZPJMESA-N 434.908 5.148 30 20 IKED Cc1nn(-c2ccc(Br)cc2)c(NC(=O)c2cc(C#N)ccc2Cl)c1C 512767603 SSTMIBUEGHXKBL-UHFFFAOYSA-N 429.705 5.029 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3sc(C)c(C)c3C#N)c3cnn(C(C)C)c3n2)c(C)s1 514911949 VBYIURJOMHENOO-UHFFFAOYSA-N 449.605 6.160 30 20 IKED N#Cc1c(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)sc2c1CCCCCC2 515449496 PWTSBTKYDPILBB-UHFFFAOYSA-N 434.565 5.275 30 20 IKED CC(C)(C)C[C@H]1CCCN1C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 517462623 LPLFRIFYDULGLO-OAHLLOKOSA-N 441.519 5.077 30 20 IKED C[C@H](Sc1nccn1-c1ccc(C(F)(F)F)cc1)C(=O)N(CCC#N)c1ccccc1 517658714 QCPHTTSDIAWRFF-INIZCTEOSA-N 444.482 5.319 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 518245119 QNHVQLKYVRRMAA-PELRDEGISA-N 441.641 5.665 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccc(F)cc4)n3)n2)cc1 518515474 NVNPSXHKGWVRFD-QGZVFWFLSA-N 430.489 5.434 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCC1(c2cccc(Cl)c2)CCOCC1 518684623 HYEWUBKUVYKQAB-QGZVFWFLSA-N 444.000 5.462 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCNC(=O)c3ccc4ccccc4c3)cc2)cc1 520607435 KPIKVVWEHQUNAL-UHFFFAOYSA-N 435.483 5.262 30 20 IKED C=C(C)CN1CCC(NC(=O)Nc2ccc(Oc3ccc(C)cc3OC)c(F)c2)CC1 520697587 KVAQRWHJPFQCNF-UHFFFAOYSA-N 427.520 5.097 30 20 IKED COc1ccc2ccc(-c3nn(-c4ccccc4)cc3C(=O)Nc3ccc(C#N)cn3)cc2c1 521362027 ZBBWTIFJBNYQMR-UHFFFAOYSA-N 445.482 5.220 30 20 IKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 521496698 UTBJPFGZKFZACV-SFHVURJKSA-N 445.544 5.358 30 20 IKED COc1ccc([C@@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1Br 521810265 JVPWMIJUGRGSPI-ZIAGYGMSSA-N 448.386 5.735 30 20 IKED COc1cc([C@@H](C)NC(=O)c2occc2COc2cccc(C#N)c2)ccc1OC(C)C 523945762 UJGHOUIKXCDJKH-QGZVFWFLSA-N 434.492 5.017 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCCCc3ccc(O)cc3)cc2Cl)c1 524028801 FBJYYGMNVUQGNL-UHFFFAOYSA-N 435.911 5.251 30 20 IKED COc1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c(Br)c1 524506520 IQABCOLSVJKFBW-UHFFFAOYSA-N 437.293 5.161 30 20 IKED COc1ccc2oc([C@@H](C)NC(=O)c3ccc(COc4ccccc4C#N)o3)c(C)c2c1 524670113 CIXICOUNVPAFOF-MRXNPFEDSA-N 430.460 5.285 30 20 IKED C[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)C1CCN(CC(F)(F)F)CC1 525936428 FAEZIMABAQRFDY-MRXNPFEDSA-N 447.526 5.102 30 20 IKED C=CCCC[C@H](C)NC(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 537188795 SKJZIAJMTIVBPS-MAUKXSAKSA-N 447.377 5.014 30 20 IKED Cc1cc(NC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)nn1CCC#N 537512371 WQPDAMWIERQZEC-UHFFFAOYSA-N 443.338 5.041 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](c1ccccc1)[C@H]1CCOC1 537929063 QTIITVPRGVOJGD-SQJMNOBHSA-N 427.504 5.558 30 20 IKED N#Cc1ccccc1-c1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1 540808574 MOVGKHWGUCRNKC-UHFFFAOYSA-N 441.538 5.763 30 20 IKED Cc1csc(Sc2ccc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)c(C)c2)n1 541220936 GAOPSDPSHRKGFO-UHFFFAOYSA-N 431.546 5.221 30 20 IKED COc1cccc(OC)c1Oc1ccc(CNc2ccc(C#N)c(C(F)(F)F)c2)cn1 553491441 ZINVCVXECDSENB-UHFFFAOYSA-N 429.398 5.394 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(-c3ccccc3)on2)cc1Cl 555335220 BXLAMQLXXUZAQT-JOCHJYFZSA-N 442.906 5.972 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)N3CCC(C#N)(c4ccccn4)CC3)s2)cc1 558656988 SMGVPZHNAGNKJX-IBGZPJMESA-N 445.592 5.150 30 20 IKED Cc1ccc(-n2cnnc2)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 580692942 XYNAQTAEABQGKV-NRFANRHFSA-N 427.895 5.137 30 20 IKED CSc1nc(C2CC2)cc(-c2nc(Cn3c(C(C)C)nc4ccccc43)no2)c1C#N 582029363 PDURTDSYUYFDFE-UHFFFAOYSA-N 430.537 5.124 30 20 IKED C=CCn1c(SCC(=O)Nc2cccc3ccc(C)nc23)nnc1-c1ccc(Cl)cc1 589382587 RWPGKUBQEIYCNA-UHFFFAOYSA-N 449.967 5.372 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)o2)cc1 590388746 QPTUETVMYNHQQS-QGZVFWFLSA-N 433.876 5.483 30 20 IKED COc1ccc(CN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)[C@@H](C)C2CC2)cc1 601187218 FDGZDJGEKBTGFP-FQEVSTJZSA-N 425.532 5.323 30 20 IKED CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604457107 SHQOJXPVASOCKO-QHCPKHFHSA-N 449.457 5.022 30 20 IKED CCc1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nn1-c1ccccc1 605257657 YYSUWCXPXQUETC-KRWDZBQOSA-N 433.924 5.097 30 20 IKED C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc2c(c1)c1ccccc1n2C 609379104 SIPCCENGYMQBNL-INIZCTEOSA-N 435.574 5.384 30 20 IKED CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 609494287 CIFIPNKJTOJJTL-IBGZPJMESA-N 426.520 5.643 30 20 IKED N#Cc1cccc(OCCCCC(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c1 609504722 ADTIUNOUJAKCGC-NRFANRHFSA-N 449.551 5.564 30 20 IKED CC(C)CN(C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1ccc(C#N)cc1 610226890 OONYZVHSPLBMIS-UHFFFAOYSA-N 441.318 5.750 30 20 IKED C=CCOc1cccc(NC(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)c1 619350996 JMOVLAOWPZLFOQ-UHFFFAOYSA-N 426.314 5.085 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(Cc2ccc(-n3cncn3)cc2)C2CC2)cc1 619799193 BZQAGLRFJDQJJV-UHFFFAOYSA-N 449.514 5.045 30 20 IKED CC(C)(C)Oc1c(F)cc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1F 679886045 RCZDLHYOFFSLMA-UWVGGRQHSA-N 434.327 5.347 30 20 IKED CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N\[C@H](C)c1cccs1 726421128 KVFDVLUZPJFUCA-RTYSNNKWSA-N 429.611 5.165 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)sc1-c1ccc(F)cc1 726733582 ZMEBBWIEPPMZIY-OAHLLOKOSA-N 447.318 6.131 30 20 IKED N#CCCCOc1cccc(/C=C(\Cl)c2nc(O)c3ccc(C(F)(F)F)cc3n2)c1 726742181 LRBFDIBJYPDVEC-BOPFTXTBSA-N 433.817 5.774 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(Cc2ccc(F)cc2)n1 727038197 HTCWXJZJKLLGHN-CQSZACIVSA-N 448.306 5.141 30 20 IKED C[C@@H](c1ccccc1)c1ccc(OC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc1 728852938 QXOLHJOTQXSUER-IBGZPJMESA-N 433.529 5.135 30 20 IKED COc1c(O)cccc1/C=C/C(=O)c1sc(-c2ccccc2Br)nc1C 730148744 KSITXNUEBYMXQB-ZHACJKMWSA-N 430.323 5.491 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)c1 730550697 DQLVDGFYMGKUSX-UHFFFAOYSA-N 445.932 5.021 30 20 IKED CCc1ccccc1O[C@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1 730690257 QWYWRZKQTGGSSO-CYFREDJKSA-N 445.469 5.990 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2csc(I)c2)cc1 730745616 OXMLACDNRAZNHQ-QGZVFWFLSA-N 444.297 5.260 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 731276246 LUXLUAGKMNCRHB-YHYVQYDKSA-N 444.556 5.519 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1 733771404 QFZFQSWXSCSXSB-LJQANCHMSA-N 430.533 5.006 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](Oc2ccc(Cl)cc2)c2ccccc2)c1 733773300 YKJINWLTARTKEF-ZJSXRUAMSA-N 434.923 5.457 30 20 IKED COC(=O)Nc1cc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)ccc1F 735008457 KGHBDADXUHMPGI-UHFFFAOYSA-N 439.830 5.574 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@H](C)[C@H]2c2ccc(C)cc2)ccc1OC 739026603 WZLIONKNOCTILI-QNIAMRLHSA-N 435.568 5.367 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2cc(C)c(F)c(C)c2)cs1)c1ccc(F)cc1F 741467467 OKMFSJWXLWJURA-ALCCZGGFSA-N 430.451 5.758 30 20 IKED Cc1c(-c2ccccc2)oc2c(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)cccc2c1=O 747197098 ADWAAWADMSALEO-IBGZPJMESA-N 428.513 5.838 30 20 IKED COc1cc(NC(C)=O)ccc1C(=O)/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1 747705623 PDRWWEXGRFAGEX-JLHYYAGUSA-N 448.906 5.455 30 20 IKED Cc1ccccc1-c1ccc(CN(C(=O)NCCNc2ncccc2C#N)C(C)C)s1 748457828 SVGNEMKPXGCSCE-UHFFFAOYSA-N 433.581 5.022 30 20 IKED COc1cc(/C=C2\CC/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(F)(F)F 750903519 CGRKJDVSYLQYOA-ZAGBYUSBSA-N 433.382 5.374 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)cc1 751084207 MVVKSBMXVLYTTN-YIQFJJPYSA-N 443.591 5.536 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCC(=O)c2cc(Cl)sc2Cl)cc1 755164880 GXRZWQXKSMGUNC-SFHVURJKSA-N 443.355 6.312 30 20 IKED N#CC1CCC(COC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)CC1 755975945 ZNSUIRRFYTYIDZ-STIJMGRHSA-N 430.548 5.040 30 20 IKED N#CCCn1ncc(C(=O)OCc2ncc(-c3cccc(Cl)c3)o2)c1-c1ccccc1 758312586 JKABWECOIZPQEX-UHFFFAOYSA-N 432.867 5.129 30 20 IKED C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 759412340 HOQDUODNZGBJEI-DYVFJYSZSA-N 437.330 5.150 30 20 IKED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C 764449941 XXSTXCOLKZOQRX-UHFFFAOYSA-N 438.535 5.231 30 20 IKED C=CCn1c(-c2cccs2)nn(CN2CCC(Oc3ccc(F)cc3F)CC2)c1=S 764899699 HXHONZRWZVEIBT-UHFFFAOYSA-N 448.564 5.108 30 20 IKED C[C@@H](OC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 767633391 LHHDVCJMGWOEJQ-GFCCVEGCSA-N 446.290 5.377 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 767879877 YRDKATZTDQFCCG-AEFFLSMTSA-N 447.526 5.528 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cccc(-c2ccccc2OCC)c1 772647415 YGLVXJZCYXGFME-NRFANRHFSA-N 428.488 5.112 30 20 IKED N#CCOc1ccc(CNC(=O)N[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)cc1 773540801 FSOSDHIBAXOQDY-IBGZPJMESA-N 437.849 5.212 30 20 IKED CN(CCC#N)c1ccc(CN[C@H](CC(F)(F)F)c2ccc(Br)cc2)cc1 778218929 WOOGKUGWQSPCBX-LJQANCHMSA-N 440.307 5.582 30 20 IKED COc1ccc([C@@H](NCc2ccc(O[C@@H](C)C#N)cc2)c2ccc(C(F)(F)F)cc2)cc1 778646285 NXLGYOXSDJYGSL-XDHUDOTRSA-N 440.465 5.884 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H](c2ccc(F)cc2)c2ccc(OC)cc2)ccc1OC 779102133 QTSAVGIRCZVCMR-ATIYNZHBSA-N 434.511 5.403 30 20 IKED CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N2CCC(CC#N)CC2)c1=S 782054375 AMMWJOWSACDVGY-UHFFFAOYSA-N 446.020 5.077 30 20 IKED O=C(/C=C\c1ccc(OCc2occc2C(=O)O)cc1)c1ccc([N+](=O)[O-])cc1Cl 782189245 PGIBOBQTQNQYQZ-BAQGIRSFSA-N 427.796 5.015 30 20 IKED C[C@@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)c1nnc(-c2ccccc2F)s1 783075914 MLFSNVAKGRURAZ-CQSZACIVSA-N 449.463 5.306 30 20 IKED N#C[C@H](C(=O)CCCCC(=O)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 783357565 IIXFGKMVULQHAW-MRXNPFEDSA-N 430.451 5.935 30 20 IKED CC(=NOCc1cccc(OC(F)F)c1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 784049472 MJZZKUHQOJJBSO-UHFFFAOYSA-N 440.372 5.137 30 20 IKED COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 785678983 UIBHHPHPXLVALW-BJKOFHAPSA-N 433.939 5.847 30 20 IKED C#CC[C@H](OC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccccn1 786944117 AYIJXMVWFOUCGY-SFHVURJKSA-N 430.291 5.069 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 788599431 YPFLKAZMOCKKSG-IAGOWNOFSA-N 438.553 5.262 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H]3CCN(c4c(C)cc(C)cc4C)C3=O)o2)cc1 788813364 IWNGBDMVEFDKID-HXUWFJFHSA-N 435.549 5.124 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 789717946 BJUGXBGBVOZTMP-UHFFFAOYSA-N 447.000 5.229 30 20 IKED CC[C@H](C)n1c(SCC(=O)[C@H](C#N)c2nccc3ccccc23)nnc1-c1ccccc1 792095549 LOFJVEJUOGEACO-UWJYYQICSA-N 441.560 5.433 30 20 IKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CC(F)(F)F)cc1 799220327 CJKGHSBAXVVJPW-SFHVURJKSA-N 449.498 5.080 30 20 IKED N#Cc1ccc(-c2nnc(CNc3ccc(Cl)cc3C(=O)c3ccc(F)cc3)o2)cc1 799967800 OHVDOETUHREAKB-UHFFFAOYSA-N 432.842 5.244 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC([C@H](F)c3ccccc3F)CC2)c1 805112427 BDMJGLFQPOGYNL-XXBNENTESA-N 427.495 5.139 30 20 IKED CC(C)(C(=O)[C@@H](C#N)c1nccc2ccccc12)c1csc(-c2cc(F)ccc2F)n1 810717536 XKTNPVXIWBITSU-SFHVURJKSA-N 433.483 5.791 30 20 IKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)sc2ccc(Br)cc12 815907530 CJWANYYJGFKAJR-ZDUSSCGKSA-N 447.741 5.587 30 20 IKED COc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cs2)cc1 916945790 DKQGDEAIIUAOLW-INIZCTEOSA-N 446.315 5.087 30 20 IKED CCCCCC/N=C1/NC(=O)[C@@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)S1 917634800 ATXRKUYECDIILL-CQSZACIVSA-N 436.792 5.143 30 20 IKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1C#N 917702174 ROGJFQNAQRAYOV-JOCHJYFZSA-N 442.544 5.082 30 20 IKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)/C=C\c2ccc(Cl)cc2)cc1 917757601 RYUSMHBOKQXHOQ-PEZBUJJGSA-N 438.936 5.398 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1 918034298 MVVIIKZFOSCODP-DSNGMDLFSA-N 429.495 5.523 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccsc2NC(=O)c2ccc(CC)cc2)cc1 918235044 LIUKTHCCXPUAPO-UHFFFAOYSA-N 448.548 5.123 30 20 IKED C=CCn1c(SC[C@H](O)c2ccccc2C(F)(F)F)nc2cc(Cl)ccc2c1=O 918748392 XRKJOJULKKRBFX-KRWDZBQOSA-N 440.874 5.080 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccc(OC(F)F)cc3)n2)cc1 920138385 GSOVHFFBBHAIDQ-SFHVURJKSA-N 428.460 5.229 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2csc(-c3ccco3)n2)cc1C 920892013 HOFGNHKJZATTAL-UHFFFAOYSA-N 432.505 5.154 30 20 IKED C[C@@H](OC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)Nc1ccccc1C#N 921223698 LJODBVGASDCLBR-LLVKDONJSA-N 446.315 5.173 30 20 IKED CC[C@H](C)Cc1c(C)sc2nc(SCCC(=O)Nc3cccc(C#N)c3)nc(O)c12 1307282788 TYMHMNKJYAWQDX-ZDUSSCGKSA-N 440.594 5.287 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCc3cccnc3C)cc2)CCC1 1786745046 DXZLRBDEOYTLHG-XMMPIXPASA-N 431.580 5.225 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccc4nc(C)ccc4c3)cc2)CCC1 1789034352 HVVMLOWAIPBFMX-UHFFFAOYSA-N 449.501 5.502 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(OC)c3)cc2)CCC1 1790072974 FJWYGTNZYQEIJT-XMMPIXPASA-N 443.547 5.083 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1sc3ccccc3c1Cl)C2 1798333735 OLRRGXJKWIJHNS-MHORFTMASA-N 443.012 5.575 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)/C=C\c3c[nH]c4ccccc34)C2)CC1 1806875752 OSVCGVWUVXDFQW-QXMHVHEDSA-N 447.623 5.405 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](c2ccccc2)C(C)C)n[nH]1 1814932891 HGSAEOQFCPENHI-TZIWHRDSSA-N 444.526 5.053 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(C)cccc3[nH]2)n[nH]1 1819054962 PVHWZAMWZLJQJY-JPYJTQIMSA-N 445.567 5.274 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2OCC)n[nH]1 1820449974 CSHOAIKFZAOLOU-FQEVSTJZSA-N 438.572 5.107 30 20 IKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](CCC)CC2)[nH]n1)C(F)(F)F 1821995330 WLMBBWWLUBYPLR-BQFCYCMXSA-N 440.510 5.127 30 20 IKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccsc2)CC1)c1ccccc1 1825794682 SCZFUGJCRRGODZ-DQEYMECFSA-N 448.632 5.179 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](c3ccccc3)[C@H](C)CC)CC2)C1 1826420170 ZVJUTEOBGGDIDH-NYMACZPPSA-N 436.640 5.402 30 20 IKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 1831750229 SXIIRIKWJGLWEM-OAQYLSRUSA-N 449.422 5.221 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Br)cc2)nnc1-c1ccccc1 9447633 FHJLZUKEUKNPRJ-AWEZNQCLSA-N 443.370 5.013 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(C)cc2C)cc1 10168745 XVHTWAXTOMUYDT-UHFFFAOYSA-O 439.551 5.873 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(F)cc2F)cc1 11249207 SSKFOCKACKFBKN-UHFFFAOYSA-O 425.524 5.482 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccc(Cl)cc1Cl 14133485 NGLGERYYGOZRMV-UHFFFAOYSA-N 433.364 5.477 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C 20074959 NWSUZFBXIDJZDX-UHFFFAOYSA-N 430.986 5.144 30 20 IKED CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3C#N)o2)cc1 22249486 XTMNFOJESFVZPS-UHFFFAOYSA-N 426.929 5.290 30 20 IKED CCOCCCn1c(S[C@@H](C#N)Cc2ccc(C)cc2)nc2cc(Cl)ccc2c1=O 24845893 KKMQDOKZRLCKNS-LJQANCHMSA-N 441.984 5.012 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)n1 26143540 SPLRXPFSAURHHR-RYUDHWBXSA-N 427.879 5.292 30 20 IKED COc1cc(OC)cc(-c2nnc(SCc3ccc(-c4ccccc4C#N)cc3)o2)c1 45773236 ROPMXIBZCLJQPB-UHFFFAOYSA-N 429.501 5.585 30 20 IKED O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccc(OC(F)F)cc1OC(F)F 59254178 MZYIZSCPCTXNFU-UHFFFAOYSA-N 444.328 5.034 30 20 IKED C=C(C)CN1C(=O)/C(=C/c2csc(-c3ccc(C(F)(F)F)cc3)n2)SC1=S 60638916 SEYUWCWZHNMHOF-AUWJEWJLSA-N 426.510 5.606 30 20 IKED C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 107876167 HATXGHKGHGXROH-AVIJNYRZSA-N 443.934 5.842 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc2cnn(C(C)C)c2nc1C 109906337 CVDPCYNWKYNMDK-UHFFFAOYSA-N 445.336 5.051 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl 217050175 UDXYAPUXJXQORA-LBPRGKRZSA-N 437.352 5.148 30 20 IKED C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1cccc(N2CCCC2=O)c1 237454325 VUGKHIYTPHXOLI-HXUWFJFHSA-N 425.532 5.115 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C1CC1 303412465 VDRYDWRURNVXLK-MRXNPFEDSA-N 447.526 5.560 30 20 IKED CC(C)n1c([C@H]2CCCN(C(=O)c3ccccc3-c3ccccc3C#N)C2)nc2ccccc21 303572933 PFKXLVLKUNDYRI-QFIPXVFZSA-N 448.570 6.176 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F 426078054 QKGLDWOBWRGSJG-UHFFFAOYSA-N 429.398 6.038 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)Nc2cc(C3CCCCCC3)[nH]n2)cc1 426522206 JXOOEFAPCKCBQQ-UHFFFAOYSA-N 443.507 5.089 30 20 IKED CCSc1cc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccn1 429364175 LWGASAORDLPEIK-UHFFFAOYSA-N 432.549 5.160 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)c1cccc(SCC#N)c1 430615586 CHUALYHFWLCRHP-UHFFFAOYSA-N 430.508 5.556 30 20 IKED COc1cc([C@H](C)NC(=O)N[C@H](CCCC#N)c2ccccc2)ccc1OC1CCCC1 431819251 YMWDHOXSWICOJT-WMZHIEFXSA-N 435.568 5.812 30 20 IKED C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@H](c2cccc(C(F)(F)F)c2)O1 432699226 NCMNLVUVZAJSCY-MGPUTAFESA-N 431.458 5.500 30 20 IKED COc1ccc([C@H](NCc2cc(C#N)ccc2OC)c2ccccc2)cc1Br 434879798 YWUWGEOEOBSQMW-HSZRJFAPSA-N 437.337 5.217 30 20 IKED Cc1c(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cnn1-c1ccccc1F 435338937 LUBISGPSQIJVIV-UHFFFAOYSA-N 426.451 5.023 30 20 IKED CCn1c2ccccc2c2cc(NC(=O)C(=O)Nc3cccc(OCCCC#N)c3)ccc21 437067598 FBACJUXGVOVVSL-UHFFFAOYSA-N 440.503 5.074 30 20 IKED N#CCCCOc1cccc(NC(=O)C(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)c1 437069390 QNNGEZUGUHHLSM-UHFFFAOYSA-N 449.894 5.392 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 437772612 JLBWLBNYQJOPDT-DOTOQJQBSA-N 437.393 5.193 30 20 IKED Cc1occc1C(=O)Nc1cc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1F 437849169 DGYNOUWOORATFF-NFBKMPQASA-N 446.482 5.283 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 438076160 PSWALGXHRCOGEJ-LZJOCLMNSA-N 428.627 5.204 30 20 IKED CCCc1c(NC(=O)N(C)Cc2ccccc2C(F)(F)F)cnn1-c1cccc(C#N)c1 439700014 ZRHLCYGXNLFZKC-UHFFFAOYSA-N 441.457 5.379 30 20 IKED N#Cc1ccc(NC(=O)C(=O)Nc2cccc(CSCc3ccccc3)c2)c(Cl)c1 440899488 HFTBRMRBLBFMJP-UHFFFAOYSA-N 435.936 5.222 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 443888598 ZINYCGRFBYTSKZ-UHFFFAOYSA-N 435.402 5.312 30 20 IKED CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(C#N)ccc2OC(F)F)c1 460156514 UWXRCMKHACAVMR-UHFFFAOYSA-N 435.858 5.440 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CCO[C@H](c4ccccc4)C3)c2)cc1 462252561 BROISPJWGOAZCP-RSXGOPAZSA-N 441.531 5.373 30 20 IKED Cc1nn(C)c(Sc2ccccc2)c1C(=O)Nc1sc2c(c1C#N)CCCCCC2 463584074 UOYXALIUJIYHEI-UHFFFAOYSA-N 436.606 5.724 30 20 IKED CC(C)(C)c1nc2ccc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)cc2s1 464172617 ZERYXKBLEQWBTO-UHFFFAOYSA-N 434.565 5.259 30 20 IKED C=CCN(C(=O)c1cncc(-c2ccc(OC)cc2)c1)c1nc(-c2ccccc2)cs1 466391087 FQYXPTOQCBHAET-UHFFFAOYSA-N 427.529 5.714 30 20 IKED N#Cc1cccc(-n2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)n2)c1 467186961 NYVHYKSYONLTTE-GOSISDBHSA-N 429.892 5.011 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)N(CCC#N)CCC(C)C 467281686 LECBEAUSSHEWEF-UHFFFAOYSA-N 426.948 5.694 30 20 IKED N#Cc1ccc(NC(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1 468976226 MZGRHCQFVYFHJC-KRWDZBQOSA-N 443.347 5.201 30 20 IKED Cc1nc(Cc2ccccc2)sc1[C@@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469191175 JJOZYOPQQHWQFC-GOSISDBHSA-N 444.604 5.798 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccccc3Sc3ccccc3)ccc21 470848854 OVRONDNWJWDQHD-UHFFFAOYSA-N 441.556 5.673 30 20 IKED COC(=O)c1cc(F)cc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1F 478096419 NBFRZXAMDGBBIW-UHFFFAOYSA-N 427.247 5.041 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3CCCc4c(O)cccc43)c2)cc1 479236842 BAPNSBJJGDEIHQ-DEOSSOPVSA-N 427.504 5.236 30 20 IKED COc1cccc(OC)c1Oc1ccc(CN[C@H]2CCCCc3cc(C#N)ccc32)cn1 481915282 DAOHMGNDHLNNJX-QFIPXVFZSA-N 429.520 5.320 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cnn(-c2cccc(C)c2)c1CCC 483460332 QIEJMXOEWVOBMC-UHFFFAOYSA-N 434.588 5.521 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4noc(C(F)F)n4)cc3)cc2)cc1 488181565 NTYAHRRESHJNHL-UHFFFAOYSA-N 432.386 5.590 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCc1nc2cc(C(F)(F)F)ccc2o1 489666665 LGZBMTVXBGJOIK-UHFFFAOYSA-N 446.454 5.495 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3ccc(OC)cc3)no2)nnc1-c1ccccc1F 492564754 WABHSGNNHQJOPA-CQSZACIVSA-N 437.500 5.182 30 20 IKED C[C@H](N[C@H](C)c1nc(C(F)(F)F)cs1)c1ccc(OC(F)F)cc1OC(F)F 494415464 YOYDLHDYKWZCBL-JGVFFNPUSA-N 432.361 5.777 30 20 IKED Cc1sc(NC(=O)c2sc3ccc(C#N)cc3c2C)nc1-c1c[nH]c2ncccc12 495404288 JVTIHHVGOPFQDA-UHFFFAOYSA-N 429.530 5.642 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cn1ccc(-c2cc(Cl)ccc2Cl)n1 496934017 KLWSJFNPOFPVKD-CQSZACIVSA-N 445.375 5.890 30 20 IKED COc1ccc2cc(CNC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)ccc2c1 497474620 NZLDHTGQLSZELM-UHFFFAOYSA-N 438.531 5.172 30 20 IKED C[C@@H](C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c1ccc(Br)cc1 499630258 GBLLOXPBJASTRS-CYBMUJFWSA-N 425.248 5.015 30 20 IKED N#C[C@@H](NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1c(Cl)cccc1Cl 499835290 CQBRYNWNUYMGTF-LJQANCHMSA-N 442.277 5.379 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 500439864 ISSSRCYRBSTZAK-LJQANCHMSA-N 434.561 5.577 30 20 IKED CN(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 502996157 WYVLEFYBUWZSJP-UHFFFAOYSA-N 434.883 5.350 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1ccc(C#N)cc1 503125624 JMYZKJCJRFMTNT-CYBMUJFWSA-N 444.388 5.786 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H](c3ccccc3)c3cccnc3)c2)c1 503281006 CRIKVLIFQLGPCW-VWLOTQADSA-N 447.498 5.117 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccccc2OCc2cscn2)c1 503445814 GKKUMVRYJAOVNI-UHFFFAOYSA-N 441.512 5.425 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)Nc3cc(C#N)ccc3OC(C)C)s2)cc1OC 509565196 UCMCJKWIWXORPP-UHFFFAOYSA-N 437.521 5.047 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(C(F)(F)F)cc2)cc1 511374073 UZZGRMBNTKNNCN-UHFFFAOYSA-N 439.437 5.672 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1nc2ccccc2s1 513655663 SULPGSWQWKYLKY-CYBMUJFWSA-N 430.386 5.130 30 20 IKED Cc1c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cnn1-c1cccc(C(F)(F)F)c1 518668598 GREFEIOBQRIABV-AWEZNQCLSA-N 444.482 5.704 30 20 IKED N#Cc1ccc(OCc2ccc(-c3nc(-c4cccnc4Oc4ccccc4)no3)o2)cc1 518875191 LQQSWJYBMJUGMJ-UHFFFAOYSA-N 436.427 5.635 30 20 IKED Cc1nn(C(F)F)c(C)c1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 519957275 DICKCMVRLHVUPQ-IBGZPJMESA-N 428.870 5.385 30 20 IKED Cc1cccc(Oc2ccc(Cl)cc2NC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 520419138 XTUCOGPMUXWZIC-INIZCTEOSA-N 433.895 5.128 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(OC(F)(F)F)cc1 520832721 POAGHPMBSMAAQQ-CQSZACIVSA-N 440.512 5.851 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cc(C(F)(F)F)cnc2O)cc1 521203447 URMHFOZWTSEANB-UHFFFAOYSA-N 429.423 5.222 30 20 IKED Cc1onc(-c2ccccc2)c1-c1nnc(CN(Cc2ccc(C#N)cc2)CC(C)C)o1 521821517 HMTOBEJVYMNWMV-UHFFFAOYSA-N 427.508 5.230 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)c1 523275907 RUEKDQRSEDMUSD-UHFFFAOYSA-N 438.487 5.182 30 20 IKED Cc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)Nc2cc(C)nn2CCC#N)cc1 523317463 NLGAWGDODGADQL-FXBPSFAMSA-N 447.542 5.701 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1c(C)c(C(C)(C)C)nn1-c1ccccc1 523984170 DKTPBKHNKPOTKW-UHFFFAOYSA-N 429.568 5.794 30 20 IKED C=C[C@H](CC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1)c1ccccc1 533886385 BJSVVMMBMRKRCS-PIIWDFAUSA-N 427.544 5.538 30 20 IKED COc1cc([C@H](C)NCc2nnc(-c3cccc(C#N)c3)o2)ccc1OCc1ccccc1 539252172 CFXJEQKBRMCVCK-SFHVURJKSA-N 440.503 5.047 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(OCCc2ccccc2)CC1 539770944 PNQJAWWFVBVSRB-UHFFFAOYSA-N 426.516 5.214 30 20 IKED Cc1ccc(NC(=O)c2nnc(CSc3ccc(C#N)c(C(F)(F)F)c3)s2)cc1 542006656 PYCKFRIOGNPSQG-UHFFFAOYSA-N 434.468 5.282 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3coc(-c4ccc(C(=O)OC)cc4)n3)o2)cc1 542934270 LEOMQJCMLKGYCA-UHFFFAOYSA-N 449.488 5.035 30 20 IKED C[C@H](NC(=O)Nc1ccc2c(c1)NC(=O)CS2)c1ccc(-c2cccc(C#N)c2)cc1 543852319 NHIDOWFYVGAIIK-HNNXBMFYSA-N 428.517 5.152 30 20 IKED C[C@@H](NC(=O)Cc1csc(NC(=O)C(C)(C)C)n1)c1ccc(-c2cccc(C#N)c2)cc1 543894041 LOMQQPHAZNSPRS-MRXNPFEDSA-N 446.576 5.086 30 20 IKED CC(=O)Nc1ccc(CNc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 544673526 WAFPEFKFDIEPRL-UHFFFAOYSA-N 430.455 5.195 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 554472714 FPLBCLXTCWOVQW-UHFFFAOYSA-N 449.511 5.775 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)c1 554782084 IJPJEZWAMNNGKK-JOCHJYFZSA-N 442.519 5.155 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 555074753 VWHRLFHHOPBNGQ-IVZQSRNASA-N 447.526 5.637 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1 558591690 WNVBJTJCBHQSHR-UHFFFAOYSA-N 447.991 5.725 30 20 IKED N#Cc1cc(Br)ccc1NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 558598527 NAGSLTCHFCPODD-UHFFFAOYSA-N 437.219 5.088 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(C)cc1-c1nc(C2CC2)no1 562188661 SUKYYLJJLDLAMZ-UHFFFAOYSA-N 434.544 5.310 30 20 IKED CC(C)(C)c1nc2cc(NC(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)ccc2o1 565968558 JPRQXMDOEIKKGK-UHFFFAOYSA-N 436.487 5.211 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc([C@@H](CC)c2ccccc2)o1 589891564 QAHLIPARPHAUFK-APWZRJJASA-N 427.595 5.368 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3SCc3cscn3)cn2)c1 603623556 ZSRQFGIVZLVOAZ-UHFFFAOYSA-N 444.541 5.747 30 20 IKED COc1ccccc1OCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603745954 HYMWAIXBMPRNOY-FQEVSTJZSA-N 435.911 5.205 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](c4cc5ccccc5[nH]4)C3)cn2)cc1 603829154 KUAPHUJRWMSGLT-HXUWFJFHSA-N 437.503 5.638 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1Cl 604137371 GGNZOCSOCDEQAP-GXJJEBCYSA-N 449.982 5.409 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(OCCc2ccccc2)CC1 604471076 BVVYIOBTPBTQOV-UHFFFAOYSA-N 442.584 5.573 30 20 IKED N#CCCN(Cc1ccco1)C(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12 609071977 AJPPRXKBNGLLEV-UHFFFAOYSA-N 445.950 5.811 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 609078349 KCWKFTXPTFIWCH-RUZDIDTESA-N 445.950 6.468 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCc2ccc(C#N)cc2F)cc1 609228741 HXNZBRFCCGFWAO-UHFFFAOYSA-N 427.479 5.103 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 609376741 IRTLRGXHCZZPFJ-CQSZACIVSA-N 427.982 5.896 30 20 IKED CC(C)(C)c1noc(CCCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)n1 609378548 VEYOJQDZYOFLFS-UHFFFAOYSA-N 440.491 5.353 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccccc1S[C@H](C)CC#N 609427534 HRONGQGONUNIRL-CQSZACIVSA-N 441.553 5.816 30 20 IKED COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 609432530 WOJUPFINUDICQQ-MSOLQXFVSA-N 445.519 5.046 30 20 IKED Cc1ccc(C[C@@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccn2)cc1 609845381 NOVYXAGLMQXIKF-AUSIDOKSSA-N 430.577 5.890 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cccc(Oc3nccs3)c2)cc1 609906660 HXXCXSVXTWAQJT-UHFFFAOYSA-N 443.503 5.789 30 20 IKED Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N(CC#N)c3ccccc3)c12 609969501 SQQAHOLEHJLPLT-UHFFFAOYSA-N 436.393 5.387 30 20 IKED Cc1ccc([C@H]2CCCCCN2C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)o1 609984683 WVDNGHDWUWURAO-HXUWFJFHSA-N 448.523 5.068 30 20 IKED CCOC(=O)Cc1cccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 610018608 GVSJAQNMDWTSMV-UHFFFAOYSA-N 445.475 5.109 30 20 IKED Cc1nc(-c2ccccc2)c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)s1 613319550 GRMBDDLJDBOTDU-KRWDZBQOSA-N 435.961 6.386 30 20 IKED CC(C)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1 613344330 HIZYDYNQISRHIX-OAHLLOKOSA-N 432.332 5.789 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N(C)[C@H](C)c1cc2ccccc2o1 614072609 BLUZPVRNJCOWEW-GOSISDBHSA-N 446.576 5.113 30 20 IKED C=CCN(C(=O)c1nn(-c2ccccc2)c2c1CCC2)c1nc(-c2ccccc2)cs1 643229140 AQUAAGAWSGPTNP-UHFFFAOYSA-N 426.545 5.317 30 20 IKED O=C(c1ccc(Oc2ccc(F)c(F)c2)cc1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674445713 UVXWEULLVQRWDT-KBPBESRZSA-N 439.302 5.570 30 20 IKED O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674463449 PXUWZBXTMIHLEK-IXDOHACOSA-N 434.355 5.178 30 20 IKED CN(Cc1cc(F)c(F)c(F)c1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 679150781 JKZFYBAKSGIUIG-UWVGGRQHSA-N 436.318 5.155 30 20 IKED O=C(N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 684800056 BSRKZYJFIQATDI-PYJNHQTQSA-N 448.329 5.334 30 20 IKED CCCN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@@H](C)c1ccc(Cl)c(Cl)c1 726475159 HQBYDBJOFDWNEM-LBPRGKRZSA-N 426.800 6.688 30 20 IKED N#CCOc1ccc(/C=C2\SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1 726628083 SXLVMXHZJKBQPS-BOPFTXTBSA-N 434.464 5.009 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)sc1-c1ccc(F)cc1 726733581 ZMEBBWIEPPMZIY-HNNXBMFYSA-N 447.318 6.131 30 20 IKED CCN(C[C@@H](C)C#N)Cn1nc(Cc2ccccc2)n(-c2ccc(Cl)cc2)c1=S 726964048 RQGWXMFJUPGLPE-KRWDZBQOSA-N 425.989 5.087 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnc(Cc3ccc(F)cc3)s2)cc1 727234050 XQBSBGAWHNFSQD-YWZLYKJASA-N 435.524 5.348 30 20 IKED CCCOc1c(Cl)cc(C=NOCc2ncc(-c3ccc(F)cc3)o2)cc1OCC 727485831 UMZJWCVHIYMILZ-UHFFFAOYSA-N 432.879 5.872 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)C2CC2)cc1 727590098 UESCVOQSMJWCES-QGZVFWFLSA-N 446.403 6.041 30 20 IKED COc1cccc([C@@H](C#N)NC(=O)COc2ccc(Cl)cc2C2CCCCC2)c1OC 729434843 RJXMJANNLKNGNI-HXUWFJFHSA-N 442.943 5.165 30 20 IKED CC[C@H](C)Oc1ccccc1/C=C\C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 729892571 BXXANOSVWBWAIO-MIXIOJFMSA-N 427.529 5.749 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(-c3ccc(OC)cc3)cc2F)cc1 730175552 OQTNRCIKZICYCI-UHFFFAOYSA-N 444.506 5.568 30 20 IKED Cc1nc(CCC(=O)O[C@@H](C)c2cccc(C#N)c2)oc1-c1ccc(Br)cc1 730399266 PWTNDJNGOIIKDI-HNNXBMFYSA-N 439.309 5.521 30 20 IKED CC(=O)Nc1cccc(NC(=S)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 730955285 XHWVXLDYMWUNMM-UHFFFAOYSA-N 438.500 5.478 30 20 IKED Cc1c(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)sc2ccc(F)cc12 731074722 VAEGORGBDJIBIG-CYBMUJFWSA-N 442.537 5.396 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 731331329 BSYZVCISYXZQDE-UHFFFAOYSA-N 442.906 5.810 30 20 IKED N#Cc1ccccc1NC(=S)N1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 731489866 GJROAMHXZJGQFE-UHFFFAOYSA-N 445.523 5.096 30 20 IKED O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(C(F)(F)F)nc1O 731564999 XLQXEEUDXKHMBW-QHHAFSJGSA-N 438.745 5.524 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=NNc1ccc(Br)nc1 732712680 FBLYSNUJIAZLTM-UHFFFAOYSA-N 439.144 5.150 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)ccc1OC 733617349 GTLPWSLDMMUJRZ-OAQYLSRUSA-N 445.519 5.799 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccccc2)Cc2ccc(OC)cc2)c1 733851985 OXDWNCWJOXLLDZ-XMMPIXPASA-N 443.547 5.288 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2cccc(C3SCCS3)c2)c1 734100428 GLBXKBGZNXWMCQ-UHFFFAOYSA-N 432.570 5.868 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c2)cc1 734317845 BXJWGXALYDZDOT-NDEPHWFRSA-N 443.506 6.045 30 20 IKED COc1cc(COC(=O)c2nc(Cl)ccc2Cl)ccc1OCc1cccc(C#N)c1 735125230 MTKOQRSPVYEGAP-UHFFFAOYSA-N 443.286 5.205 30 20 IKED Cc1nc(-c2ccc(S(=O)(=O)O[C@@H](Cc3ccc(Cl)cc3)C(F)(F)F)cc2)co1 735315592 XQXKIQOUJUWOGX-SFHVURJKSA-N 445.846 5.182 30 20 IKED CC(=O)C1=C(c2ccc(C)cc2)N(Cc2ccccc2)C(=O)N[C@@H]1c1sc(C)nc1C 736534305 FWACIFPKYLYNSL-QFIPXVFZSA-N 431.561 5.335 30 20 IKED COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C\C(=O)c2cncc(F)c2)cc1OC 737446028 LTQJDARTVVOIKF-NTMALXAHSA-N 443.478 5.046 30 20 IKED Cc1sc2nc([C@H](C)OC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)nc(O)c2c1C 738754315 SZMHOJMCNWOBCV-AWEZNQCLSA-N 444.516 5.547 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN(CC)[C@@H](Cc2ccc(F)cc2)C(C)C)c1=S 743399443 LQIUFECNMCOHQV-QFIPXVFZSA-N 439.604 5.348 30 20 IKED Cc1ccc(-c2nc(CNC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)co2)cc1 745835157 VTETZGGODUDHRY-UHFFFAOYSA-N 428.517 5.250 30 20 IKED N#Cc1ccc(NC(=S)N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)cc1Cl 747672681 QCQFSHGGIPYDPH-KRWDZBQOSA-N 425.863 5.001 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cc1C#N 752298756 FCYBXJVCOYHAOS-UHFFFAOYSA-N 431.496 5.019 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cc(Cl)cc(Cl)c2)cs1 755703568 DXDLXXCCIZFIOT-YVMONPNESA-N 431.344 6.339 30 20 IKED C[C@@H](OC(=O)c1c(F)cc(C#N)cc1F)C(=O)N1c2ccccc2Sc2ccccc21 756590298 PDICYVLCKAOZIS-CYBMUJFWSA-N 436.439 5.211 30 20 IKED CC(C)(C)OC(=O)N1CCc2cccc(/C=C/C(=O)c3c(Cl)nc4sccn34)c21 757530624 WFHXSMLGHXZJMS-BQYQJAHWSA-N 429.929 5.243 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc(C2CCCCC2)[nH]n1 759204946 HANWVHDVFQUTIA-IBGZPJMESA-N 428.492 5.211 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 760801213 KZMMNYVWOYPSBA-UHFFFAOYSA-N 438.890 5.088 30 20 IKED C=CCn1c(-c2cccc(C)c2)nn(CN2CCC(c3ncc(C)s3)CC2)c1=S 762170561 MPSWXHJHBRATTH-UHFFFAOYSA-N 425.627 5.178 30 20 IKED C[C@H](Cc1ccc(F)c(Br)c1)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 766324975 HYADLVWVGUBDFL-IUODEOHRSA-N 444.329 5.162 30 20 IKED CCOc1ccc(C2=CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)cc1 768869289 UHMJORSIJNEHGM-HHHXNRCGSA-N 437.543 6.062 30 20 IKED COc1ccccc1[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccco1 768969050 JELGJBCFYLXVBW-OZXSUGGESA-N 437.499 5.855 30 20 IKED Cc1noc(C)c1-c1csc(=Nc2ccccn2)n1N=Cc1cnc(C2CCC2)s1 774181884 POKVOWSFSODVJL-UHFFFAOYSA-N 436.566 5.055 30 20 IKED CCC[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1ccc(Cl)c(Cl)c1 775315996 ILAAFOSDJBWTFJ-QFBILLFUSA-N 439.346 5.661 30 20 IKED C[C@H](N[C@@H](c1ccccc1)c1ccc(Br)cc1F)c1ccc(OCC#N)cc1 776160150 MCZDYQZAPHTJMZ-HJPURHCSSA-N 439.328 5.931 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1 777832499 OELBBDMXBHMHAS-UHFFFAOYSA-N 447.491 5.007 30 20 IKED C=CC[C@@H](C(=O)OCc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1)c1ccccc1 778418167 KXYMSDSHUDPJFM-HSZRJFAPSA-N 434.561 5.848 30 20 IKED O=C1/C(=C\c2scnc2C2CC2)CN(c2ccccc2)C/C1=C\c1scnc1C1CC1 782328980 RUDPLNNVIGSXOL-OMYAATJGSA-N 445.613 5.911 30 20 IKED C[C@H](OC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(C#N)cc1 782463661 RFWCKMPDHUSSRL-AWEZNQCLSA-N 449.850 5.290 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)Nc2ccc3ccccc3c2)cc1 782812996 UIYHHIJBEHNOMF-UHFFFAOYSA-N 437.455 5.090 30 20 IKED COc1cc([C@H](C)NC2CCC(Oc3ncccc3C#N)CC2)ccc1SC(F)F 783331309 POSZAYYXQCZEDW-NNGSBXSVSA-N 433.524 5.317 30 20 IKED CCCOc1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(C)c1 783465939 BAPVBOUWFROQOD-QHCPKHFHSA-N 427.504 5.017 30 20 IKED CCCCOc1ccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(C)c1 783466268 GSAUIINKEPQUBV-XMMPIXPASA-N 441.531 5.407 30 20 IKED C[C@@H](OC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc(C#N)cc1 786958995 GDZSYODNOANJRV-CYBMUJFWSA-N 430.291 5.542 30 20 IKED N#C[C@H](C(=O)[C@H](Sc1ccccc1Cl)c1ccccc1)c1cnc2ccccc2n1 792110564 OLHIUZCTAUMFAB-BXKMTCNYSA-N 429.932 5.993 30 20 IKED CCOC(=O)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 800385402 BJLZUUUNKNTVEW-QGZVFWFLSA-N 426.881 5.489 30 20 IKED C[C@H](OC(=O)CCCCCC#N)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 805698625 ZTYNCWIUUWWGPE-OXJNMPFZSA-N 441.915 5.016 30 20 IKED N#CCOc1cccc(NC(=O)N[C@H]2CCCc3c2[nH]c2ccc(Br)cc32)c1 808817759 FGYUOZWFTNIWHA-IBGZPJMESA-N 439.313 5.032 30 20 IKED N#C[C@@H](C(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1)c1cc(C(F)(F)F)ccn1 813214918 FIWWNDZNXMNWLK-OAHLLOKOSA-N 428.332 5.198 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(C(F)(F)F)nc1Cl 817861719 GUFHYRLUVSRKCT-LBPRGKRZSA-N 446.816 5.304 30 20 IKED COc1cc(-c2cc(C(=O)Oc3ccc(C#N)cc3)c3ccccc3n2)cc(OC)c1OC 876476496 AGDLJIQQEAEIKD-UHFFFAOYSA-N 440.455 5.018 30 20 IKED N#CCSc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 910905932 IFPSHYFQRHNGCN-FQEVSTJZSA-N 445.975 5.999 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=S)Nc2ccc(SC(F)F)cc2)cc1 915124753 VJASZFZKCBHPAF-HXUWFJFHSA-N 425.529 6.466 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc(-c2ccc(F)cc2)nc1C 916904127 XAAMXQHJSQBLQO-IBGZPJMESA-N 435.524 5.344 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 916913059 CVTQCSCDAFKNPJ-OAQYLSRUSA-N 443.551 5.193 30 20 IKED COc1ccc(-c2cc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)sc2C)cc1 916916981 CYMIRNOCSAGWOR-QFIPXVFZSA-N 440.524 5.847 30 20 IKED CC[C@@H](C)c1ccccc1OCC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042808 GPADHIWMURTNHY-CZUORRHYSA-N 432.467 6.084 30 20 IKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)sc2nc(C(F)(F)F)ccc12 917424290 JNDMFXPEQZKIAH-CYBMUJFWSA-N 437.830 5.238 30 20 IKED Cc1ccc(C[C@H](C#N)SC2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(F)cc2)cc1 917905711 HZHVJBMUNCNERY-DIVQNALZSA-N 441.531 5.746 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2Cc2ccccc2Cl)cc1 919904669 RQCBGTLLUKKCRL-DNQXCXABSA-N 429.951 6.234 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](Oc3ccccc3)c3ccccc3)n2)cc1 920139255 PPGAKSJUABGZDR-WIOPSUGQSA-N 440.524 5.815 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 920872166 HLEFEDRLCBZGGN-IBVKSMDESA-N 440.547 5.061 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2ncc(-c3ccccc3)o2)cc1C 920894335 OQVLUHMYFPJLNP-UHFFFAOYSA-N 426.476 5.093 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)COc4cccc5ccccc45)cc3)CCC2)C1 1786676185 RHQGSLKTZCYRTA-UHFFFAOYSA-N 440.543 5.319 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3n[nH]c4cc(Cl)ccc34)cc2)CCC1 1789350795 JHKLHVCPDMYMOR-UHFFFAOYSA-N 448.954 5.158 30 20 IKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C)cc(C)cc2C)[C@@H]1c1cccnc1 1803090028 UTTICMWEWAURQW-AZGAKELHSA-N 445.607 5.095 30 20 IKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3cc(Cl)ccc3F)C2)CC1 1805137130 YGTCCQVFURQTAZ-UHFFFAOYSA-N 432.967 5.092 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C(C)=C/c2ccc(C)o2)[C@@H]1c1cccnc1 1810409173 JFHFOQNPGVJPJL-SSKBKNQGSA-N 449.595 5.085 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(C)s2)n[nH]1 1815853738 ZFOILOHSIAZBSG-PZJWPPBQSA-N 440.613 5.173 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3scnc3c2)n[nH]1 1819148947 FGFFMZIAAHSNRY-YLJYHZDGSA-N 449.580 5.094 30 20 IKED CC(C)(C)c1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CC#N)[nH]n2)cc(C(C)(C)C)c1 1821192162 AJSZBYWPDCKBFX-NRFANRHFSA-N 449.599 5.224 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cnc2Cl)CC1 1823754025 VTIYXNYFYLKDNF-HXUWFJFHSA-N 449.998 5.100 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](F)c2ccccc2)CC1 1824139314 KFSILVRYYSEZGT-BJKOFHAPSA-N 426.576 5.085 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ncccc23)CC1 1828027468 DSDJAFLJEUPEQO-GJZUVCINSA-N 445.607 5.237 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H]3CC[C@H](C)CC3)CC2)c1 1832635343 ARMQSZACGRUHCE-NTPMPWFXSA-N 449.639 5.373 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(F)cc2)cc1 10829861 WBGMEGHZCFMXDQ-UHFFFAOYSA-O 433.572 5.605 30 20 IKED CCc1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2ccc(Cl)cc2)cc1 10831784 WAONQMSNFYPBRJ-UHFFFAOYSA-O 440.932 5.149 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2ccc(C)c(C)c2)cc1 11161286 LLIVKUKGOCGLMU-UHFFFAOYSA-O 445.652 6.502 30 20 IKED C=CCn1c(S[C@H](C)C(=O)NCCC(C)C)nc2scc(-c3cccs3)c2c1=O 21953633 FYDFIAXXSHALNV-CQSZACIVSA-N 447.651 5.015 30 20 IKED C=CCOc1ccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)cc1OC 22168711 URYFMBZZTFEADU-SYJIQKIWSA-N 443.927 5.114 30 20 IKED C#Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)c1 29478986 YBPLJKXEQXSULS-UHFFFAOYSA-N 445.327 5.028 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCSc3c(F)cccc32)cc1 57667323 LJPHBHWYSYDTPH-OAQYLSRUSA-N 434.561 5.957 30 20 IKED N#C[C@@H](C(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1nc(-c2c(F)cccc2F)cs1 64714463 YXQJLPXTLOMRRE-SJORKVTESA-N 440.471 5.136 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2C)cc1 303180362 YEQBJIZRSAQTNG-HSZRJFAPSA-N 427.504 6.037 30 20 IKED Cc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1NC(=O)C(C)(C)C 303450083 DUHARVHEWHGJPJ-UHFFFAOYSA-N 443.572 6.255 30 20 IKED C[C@H](Sc1nnc(Cc2cccs2)n1CCc1ccccc1)c1ccc(C#N)cc1 303651164 BCSHIBBZQAPYPZ-SFHVURJKSA-N 430.602 5.898 30 20 IKED Cc1cccc([C@H]2CCCN2C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1C 303841514 DBVSMGZJHQFQAA-JOCHJYFZSA-N 444.535 5.003 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 409554295 KWNSYTKNBUAOIE-OFVILXPXSA-N 428.557 5.607 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(OCC3CC3)nc2)cc1Cl 409618944 LZTWCDWVAWEVTJ-JOCHJYFZSA-N 446.938 5.501 30 20 IKED N#Cc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c(Cl)c1 430358884 VDHJTIRCBZDHIL-UHFFFAOYSA-N 425.197 5.322 30 20 IKED Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1C 437898733 UWXTZBDZFFSLJE-MHZLTWQESA-N 439.559 6.318 30 20 IKED CCCc1c(NC(=O)N2CCC(c3cccc(OC)c3)CC2)cnn1-c1cccc(C#N)c1 439664338 OBSLHRRPPJOJNX-UHFFFAOYSA-N 443.551 5.117 30 20 IKED COc1cc(CN[C@H](C)c2nc(-c3ccc(Br)cc3)cs2)ccc1C#N 440631266 XLISJXSUZPDTKJ-CYBMUJFWSA-N 428.355 5.304 30 20 IKED N#Cc1cnc2c(Br)cccc2c1N1CCC(C(=O)c2ccc(F)cc2)CC1 440637172 JLXVIGFANHNGNE-UHFFFAOYSA-N 438.300 5.107 30 20 IKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)cc1 442102683 YHCSMRQFAADZIO-OXJNMPFZSA-N 444.000 5.576 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)C3CCC(c4ccccc4)CC3)s2)cc1 463170972 NWINLZSCJQTGGZ-UHFFFAOYSA-N 434.590 5.615 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc3c(C(C)C)nn(C)c3s2)cc1 463612391 MTVMSQZDXOHMSL-UHFFFAOYSA-N 446.532 5.683 30 20 IKED C=C(C)COc1cccc(NC(=O)c2c(Cl)cccc2I)c1 463722509 NFJAKGOZBUBPSL-UHFFFAOYSA-N 427.669 5.152 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c2ccc(Br)cc2n1 464410441 WGIARXGGMDFOCU-HNNXBMFYSA-N 434.215 5.210 30 20 IKED N#C[C@@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1cc(C(F)(F)F)ccn1 464464588 DPANUROMJPHRAI-LJQANCHMSA-N 433.389 5.912 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1cc(C(F)(F)F)ccn1 464474192 JZEKJMXACSKVGD-ZDUSSCGKSA-N 425.197 5.083 30 20 IKED C=CCn1c(S[C@@H](C)c2cnccn2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 464545252 FYHZJGLGZHCPJA-ZDUSSCGKSA-N 438.553 5.402 30 20 IKED CCOC(=O)c1ccc(C#N)c(S[C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)n1 466717888 GOUPCPWODNXLOP-JTQLQIEISA-N 449.319 5.340 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)N[C@H](CCC#N)c1ccccc1 467282455 BBWSYDGNBRKEEN-HSZRJFAPSA-N 446.938 6.067 30 20 IKED Cc1ccsc1[C@@H](Cc1ccccc1)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469317882 LFEZFOMEVNUWSE-HSZRJFAPSA-N 429.589 6.035 30 20 IKED COc1ccc([C@H](NCc2nnc(-c3ccc(C#N)cc3)o2)c2ccccc2Cl)c(C)c1 471668596 RLOBESNKLZCWDX-DEOSSOPVSA-N 444.922 5.458 30 20 IKED C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 473634660 XFFOXESHNOYVGF-NMEJYPJZSA-N 433.533 5.313 30 20 IKED Cc1ccccc1-c1cc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c2cnn(C(C)C)c2n1 474433534 OEZZMQCJYGWWNI-LJQANCHMSA-N 443.576 6.058 30 20 IKED C[C@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1nc(-c2ccccc2)cs1 477428022 DWYDJKBRKAPOQA-RPCJCACASA-N 446.576 5.432 30 20 IKED CCCN(CCc1cccs1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 480279316 BWFRZAKYEAUEQK-UHFFFAOYSA-N 432.549 5.359 30 20 IKED COc1ccccc1-c1csc(C2CCN(C(=O)Nc3cc(C#N)ccc3C)CC2)n1 483732336 URZAZXHZCMXLQT-UHFFFAOYSA-N 432.549 5.410 30 20 IKED CC1(C)CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC[C@H]1C(F)(F)F 484178389 PENAGWWCYVNCGR-LJQANCHMSA-N 444.457 5.253 30 20 IKED C=CCSc1ccccc1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 485461206 CTMRGMQPXBZYKI-UHFFFAOYSA-N 446.410 5.205 30 20 IKED C[C@H](Sc1nnc(-c2ccc3ccccc3c2)o1)C(=O)Nc1ccc(C#N)c(Cl)c1 488713581 MCAQVQVQWNNDIV-ZDUSSCGKSA-N 434.908 5.534 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1ccccc1C 488893704 BLZORVYKSWRYKH-GOSISDBHSA-N 431.565 5.960 30 20 IKED C=CCn1c(SCCC(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccccc1C 488900365 RMDANYYQJXYZDI-UHFFFAOYSA-N 437.956 5.086 30 20 IKED CC(=O)Nc1cccc(CSc2nc(-c3ccc(C)o3)cc(C(F)(F)F)c2C#N)c1 504494195 UOMBSGVADJEXPB-UHFFFAOYSA-N 431.439 5.791 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3ccc(-c4nc5ccccc5s4)s3)CC2)cc1 504696000 VADXYWSYSSOEOJ-UHFFFAOYSA-N 445.569 5.580 30 20 IKED N#C[C@@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1cccc(Cl)c1Cl 505314232 MDQFRWQNOFCISL-OAHLLOKOSA-N 435.698 5.010 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1cccc(OC(C)(C)C)n1 506911491 RDYFQTQLDOVCHA-MRXNPFEDSA-N 429.611 5.525 30 20 IKED C=CCn1c(SCc2cc(Br)cc3cccnc23)nc2sccc2c1=O 507906807 FZCNJQSFYRTRHP-UHFFFAOYSA-N 444.379 5.247 30 20 IKED COc1ccc(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 510006796 UMCJFRUEJPUTCP-NRFANRHFSA-N 449.938 5.377 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nc(-c2ccccc2)ccc1C#N 510217861 OQUBARUAULBWCJ-QGZVFWFLSA-N 444.585 5.603 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2cccc(C)c2)Cc2ccco2)cc1 511004802 RRNPLMQGPZDFMF-UHFFFAOYSA-N 443.547 5.637 30 20 IKED COc1ccccc1CN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C1CC1 511374362 YZUZCOFXKLSNJW-UHFFFAOYSA-N 441.531 5.537 30 20 IKED COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 512865356 SJIOLYAWUACKOM-QGZVFWFLSA-N 446.528 5.565 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CC[C@H](C(F)(F)F)C4(CCC4)C3)c2)c1 513508751 ZSMDEKXCPCHSHN-NRFANRHFSA-N 428.454 5.332 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(OCC(F)(F)F)cc1 517656159 UCDWOPZBXIKCJA-HNNXBMFYSA-N 441.409 5.178 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN([C@H](C)c2ccc(F)cc2F)CC1 518259246 FYIZJUGZTKVTRB-DLBZAZTESA-N 444.551 5.270 30 20 IKED CCC(CC)(NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(Cl)cc1 518302235 JXCZBKZWAOXUMF-UHFFFAOYSA-N 425.960 5.199 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3Cl)o2)c1C 518650207 BYDYJRICAOFTPU-UHFFFAOYSA-N 426.929 5.046 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(NC(C)C)CC1 519552412 LBXPXELYTGNZTR-FQEVSTJZSA-N 433.600 5.114 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 520194373 RFRRKUKJQKIXEI-HXOBKFHXSA-N 447.535 5.064 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@H](N3CCCC3)C2)cc1Cl 521700190 VMUPLAZBQQBBPF-GMAHTHKFSA-N 436.987 5.478 30 20 IKED N#Cc1cc(NC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)ccc1OCC(F)(F)F 521743254 KQRBFFGFGINKFO-HXUWFJFHSA-N 442.441 5.740 30 20 IKED CN1CCC[C@@H](CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@H]1c1cccs1 525036056 OQICWRDUVOEVDK-RDPSFJRHSA-N 431.561 5.225 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cc(Cl)cc3cccnc23)nnc1-c1ccco1 532874125 DFCGCGMELUECPF-UHFFFAOYSA-N 439.928 5.047 30 20 IKED CC(=O)N(c1nc(CN(CCC#N)Cc2ccco2)cs1)c1c(C)cc(C)cc1Cl 534473060 ATIOEIHAGPWCKM-UHFFFAOYSA-N 442.972 5.607 30 20 IKED CNC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1 535627610 WIBGPNIGXJPQBJ-UHFFFAOYSA-N 440.286 5.269 30 20 IKED C=CCN(C(=O)c1cc(N2CCCC2=O)ccc1Cl)c1nc(-c2ccccc2)cs1 536272233 HZIGSRKGDLEUSZ-UHFFFAOYSA-N 437.952 5.423 30 20 IKED C[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1nc(-c2ccc(Br)cc2)cs1 537406970 IMZUMLCGJROGQK-OLZOCXBDSA-N 430.346 5.995 30 20 IKED N#CC1(c2ccc(C(=O)Nc3ccc(Oc4ccc(C(F)(F)F)cn4)c(F)c3)cc2)CC1 537423139 LJEAWWSDFRYHKM-UHFFFAOYSA-N 441.384 5.839 30 20 IKED N#Cc1cccc(CSc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)c1F 538147913 RBKFTRGLWJAZMZ-UHFFFAOYSA-N 444.491 5.025 30 20 IKED CC(C)(O)CN(Cc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 538356929 AYYLYJPKDWLDGJ-UHFFFAOYSA-N 447.510 5.081 30 20 IKED COc1cc(NC(=O)c2ccccc2-c2ccccc2C#N)cc(OC)c1Br 539462661 ILZZZPVKAIUSGT-UHFFFAOYSA-N 437.293 5.257 30 20 IKED CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2c1c(C#N)cnc2c(F)ccc(Cl)c12 539592806 UJUGWMXBGAGCNE-DFNIBXOVSA-N 448.929 5.171 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccc(Br)cc2)nc1)c1nc2ccccc2o1 539871578 CFQZNLRDMOZMGA-MRXNPFEDSA-N 434.249 5.268 30 20 IKED N#CCC1CCN(C(=O)NCc2ccc(Br)cc2Oc2ccccc2)CC1 542854981 VJPYIOGEUFSDES-UHFFFAOYSA-N 428.330 5.077 30 20 IKED C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(OCc2ccccc2)CC1 549275194 XXJPNAYALZVRQB-UHFFFAOYSA-N 427.552 5.188 30 20 IKED CCN(CCC(=O)Nc1ccccc1C#N)[C@@H]1CCSc2ccc(Br)cc21 552403353 DMGHHKJZLADJMW-LJQANCHMSA-N 444.398 5.208 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 554212965 NYMCBGCZQONCGQ-AEFFLSMTSA-N 447.526 6.511 30 20 IKED N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cccc(-c3ccc(Br)cc3)c2)cc1 557360695 AJMPRBSTKRYROF-HXUWFJFHSA-N 430.305 5.309 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1c[nH]c2ccccc12)C(F)(F)F 562168836 TYAYKFVICJSMIV-ORAYPTAESA-N 432.471 5.845 30 20 IKED O=C(Nc1cccnc1C(F)(F)F)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 567196929 CNMYWXXKXGLFTJ-LLVKDONJSA-N 431.258 5.544 30 20 IKED CCS[C@H](C)c1noc(CN(C)c2c(C#N)cnc3c(Br)c(C)ccc23)n1 568536549 QBBVXAICTWBIKY-GFCCVEGCSA-N 446.374 5.011 30 20 IKED CC(C)Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C2CC2)cc1 572970907 UTJWHUXTUXIYES-MHECFPHRSA-N 449.620 5.485 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccccc1C(F)(F)F 574443676 URMUOXUFPHNIHG-CQSZACIVSA-N 426.398 5.647 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(C(F)(F)F)cn1 577086865 CLRMGKYGNQBQIM-CYBMUJFWSA-N 425.501 5.224 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1 579749380 VPDGRZASFKJGLH-OAHLLOKOSA-N 437.487 5.543 30 20 IKED Cc1c(NC(=O)c2occc2COc2cccc(C#N)c2)cnn1-c1ccc(Cl)cc1 582266684 GQVONOCNQNVHNO-UHFFFAOYSA-N 432.867 5.130 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3sc4c(c3C#N)CCCC4)cc(-c3cccs3)nc21 589191261 UZLABFVGRCSQKJ-UHFFFAOYSA-N 447.589 5.805 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1NC(=O)c1ccccc1F 592974749 YRLXNPGHWUMKBZ-KRWDZBQOSA-N 447.466 5.625 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cccc(OCc3ccccn3)c2)cc1 603637900 HSSHYQNWEMHDHA-UHFFFAOYSA-N 435.483 5.364 30 20 IKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc(-c4ccccc4)cc3F)CC2)cc1 603658435 SLDKAAXNJBVFLZ-UHFFFAOYSA-N 428.511 5.104 30 20 IKED CCOc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1OCC 603693002 SFSSCPFEKLNBJB-KRWDZBQOSA-N 446.507 5.426 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(CCc1cccc(F)c1)C1CC1 603754523 DOTFHNQIUTYHMM-ZIAGYGMSSA-N 440.403 5.452 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)s2)cc1 604171841 WFQRRCZTLXCCRB-UHFFFAOYSA-N 425.926 5.089 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CSCc3cc(-c4cccs4)on3)cn2)c1 604508987 FLSWVRSSEUEOGF-UHFFFAOYSA-N 448.529 5.334 30 20 IKED Cc1cc(C)c(C#N)c(SCC(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)n1 604540518 PNBQQWVIECHQSO-UHFFFAOYSA-N 448.617 5.231 30 20 IKED C[C@@H](CC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 606174878 UYACMZIPPDOCPV-BSLXNSKLSA-N 449.357 6.225 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(Oc3ccccc3)cc2)nnc1-c1ccncc1 607757688 VMPIQBFTZXFMLO-SFHVURJKSA-N 442.544 5.682 30 20 IKED C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 608896907 GGDZVYGACYPGOD-AWEZNQCLSA-N 427.382 5.170 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(Br)ccc1F 609061393 BMVYJKKBYLHESW-UHFFFAOYSA-N 439.284 5.600 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cnn(-c4ccccc4)c3)cc2Cl)c1 609062604 CYTLWQYJWVTUFY-UHFFFAOYSA-N 428.879 5.229 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H](Nc3ccccc3)C2)cc1 609208146 AXPOBLZTHNMOKR-OAQYLSRUSA-N 428.492 5.077 30 20 IKED COc1ccccc1CCN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 609208451 XBOJLNOUZOWZGS-UHFFFAOYSA-N 431.492 5.074 30 20 IKED CC1CCC(OC2CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)CC1 609381627 YASMXYVQFQJVPC-UHFFFAOYSA-N 448.632 6.050 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN([C@H](C)c2ccccc2Cl)CC1 609434808 RZGCJWJAGFQDQF-QZTJIDSGSA-N 443.016 5.645 30 20 IKED Cc1ccc(C)c(OC2CCN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CC2)c1 609501529 PZEZGELIMSLRSZ-UHFFFAOYSA-N 427.504 5.046 30 20 IKED CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 609987317 FZEAEHQMPZCNNJ-UHFFFAOYSA-N 449.558 5.407 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cc(O)nc2cc(F)ccc12 610038980 PXVRDHLTBDNTAU-UHFFFAOYSA-N 429.426 5.246 30 20 IKED Cc1sc(CNC(=O)c2c(Cl)cc(C#N)cc2Cl)nc1-c1ccc(Cl)cc1 611097189 WLFXLZLTJNECEC-UHFFFAOYSA-N 436.751 5.880 30 20 IKED N#C[C@H](C(=O)c1ccc(Br)s1)c1nc2cc(C(F)(F)F)ccc2s1 613403447 CZTJAXUFWPTUEJ-MRVPVSSYSA-N 431.258 5.629 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 613403841 VQPFRIPRVCAEJM-LBPRGKRZSA-N 441.921 5.655 30 20 IKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)nnc1C1CC1 614508037 NVTYXVSYKOJFTA-UHFFFAOYSA-N 446.001 5.428 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1 614999924 UDMKMJDEGKJMGW-UHFFFAOYSA-N 444.318 5.136 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1 615482039 JIAOQXQUSRYJGV-UHFFFAOYSA-N 429.492 5.241 30 20 IKED C[C@@H](CC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 619622548 XYUGPXBVZQWSTH-LEWSCRJBSA-N 435.330 5.788 30 20 IKED N#Cc1ccc(CNC(=O)Nc2ccc(Br)cc2C(F)(F)F)cc1Cl 619787281 LEGXWPCHDYOGNK-UHFFFAOYSA-N 432.627 5.315 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NCc2cc(OC)c(Br)cc2F)cc1 630067902 NSKCJYBTCXXCCR-UHFFFAOYSA-N 433.321 5.023 30 20 IKED N#C[C@H](C(=O)c1cn(-c2ccccc2)nn1)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281928 ZEKMOPWLRPJJIG-OAHLLOKOSA-N 440.315 5.188 30 20 IKED Cn1cc(Oc2ccccc2C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cn1 670115918 KDKQLQCMAQPUPW-OAHLLOKOSA-N 442.422 5.331 30 20 IKED C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC([C@@H]2CCOC2)CC1 670212307 REWSLPWRWWFMEE-OAQYLSRUSA-N 449.624 5.206 30 20 IKED O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674558000 YQYIKLJSAJLKCU-ZIAGYGMSSA-N 437.315 5.218 30 20 IKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(OCc2ccccc2F)CC1 678187707 PFCOELLLROCDEW-UHFFFAOYSA-N 449.366 5.685 30 20 IKED CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N\[C@@H](C)c1cccs1 726421129 KVFDVLUZPJFUCA-SRZINMIASA-N 429.611 5.165 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1OC 726864920 PBZMPOZZQFONOJ-JRVPOQSUSA-N 445.519 5.077 30 20 IKED N#CCc1ccc(OCc2cccc(NS(=O)(=O)/C=C/c3ccccc3Cl)c2)cc1 727357023 KALLFOXOCVMERI-FYWRMAATSA-N 438.936 5.398 30 20 IKED O=C(/C=C\c1ccc(OCc2ccncc2)cc1)c1ccc(OC(F)F)cc1OC(F)F 728158148 VREKHKFXHVTBGX-BAQGIRSFSA-N 447.384 5.760 30 20 IKED CC(C)c1ccccc1NC(=O)COC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 730375545 JRSLLVMDSSISNY-UHFFFAOYSA-N 432.451 5.409 30 20 IKED N#C[C@H](C(=O)CCc1cc(Br)cs1)c1nc2cc(Cl)ccc2s1 730689753 KTFPEAIDPKBELM-GFCCVEGCSA-N 425.760 5.583 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc(Oc2ccccc2)c1 731059481 BGLRBEXAPNRMLS-GOSISDBHSA-N 446.528 5.669 30 20 IKED O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(C(F)(F)F)nc1O 731562308 AJMRQSQWJSEOKG-ACCUITESSA-N 435.405 5.555 30 20 IKED COc1ccc(/C=C2\CCOc3c(Br)cccc3C2=O)cc1OCCCC#N 733748586 CVCNDZXGTNGKCH-DTQAZKPQSA-N 442.309 5.189 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2ccc(F)cc2)c2ccc(OC)cc2)c1 733806581 KOTBAVKPESYMNF-RCZVLFRGSA-N 447.510 5.104 30 20 IKED C=CC[C@@H](NC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C)c1ccncc1 734234802 UFBRFUCGLAXSNE-GOSISDBHSA-N 443.931 5.544 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)C3CCOCC3)cc2)c1 734649266 AVDHGXSSODJGOK-RUZDIDTESA-N 427.504 5.640 30 20 IKED CN1CCN(c2ccc(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)cc2)CC1 734993753 XBIJVBIAPADPIF-UHFFFAOYSA-N 446.938 5.008 30 20 IKED CC(=NNc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(SCC(F)(F)F)cc1 741762462 WSURCYNGOFZZEB-UHFFFAOYSA-N 438.443 5.173 30 20 IKED COc1ccc(Cl)c(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 742988441 MUOIJGNDCXXCOX-UHFFFAOYSA-N 444.343 6.475 30 20 IKED CC(=NNc1nc2ccccc2c(=O)n1-c1cccc(C)c1C)c1c(C)nn(C(C)C)c1C 746489060 QWVMWOVYBHMYBP-UHFFFAOYSA-N 442.567 5.233 30 20 IKED CN(CCN(Cc1ccccc1)C(=S)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 749826997 OZWAEEMFQDQCET-UHFFFAOYSA-N 449.023 5.543 30 20 IKED CC(C)CN(CCC#N)C(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2 751372633 ADOCZNJDLPZGLV-UHFFFAOYSA-N 438.881 5.045 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S[C@H](C#N)c3ccc(Cl)cc3)n2N)c1 752927951 CEFCSRGRXBFORB-LJQANCHMSA-N 427.961 5.013 30 20 IKED C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 755227338 SYAPLXQWXHINAV-HNAYVOBHSA-N 442.947 5.030 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)[C@@H](Sc1ccccc1Cl)c1ccccc1 760801945 VNLGAQQZUGFYCG-NRFANRHFSA-N 426.900 5.854 30 20 IKED COc1ccc(NC(=O)c2nnc(/C(Cl)=C\c3ccc(F)c(C#N)c3Cl)s2)cc1 761475375 FDMWITWSFOPFEC-RIYZIHGNSA-N 449.294 5.200 30 20 IKED COC(=O)C1C/C(=C/c2cncc3ccccc23)C(=O)/C(=C/c2cncc3ccccc23)C1 761485741 IJZMBNCOZYVAFO-AYRZQKSOSA-N 434.495 5.402 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2ccc(F)cc2OCC#N)ccc1OCCC(C)C 761663792 MIPLJZRUCHKUJJ-MRXNPFEDSA-N 429.492 5.044 30 20 IKED CCCc1cc[n+](/C(C(=S)Nc2cc(C)cc(C)c2)=C(/O)c2ccc(C#N)cc2)cc1 762445223 JUFAPTJCXLPIMS-UHFFFAOYSA-O 428.581 5.738 30 20 IKED N#Cc1cc(NC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)c(Cl)c([N+](=O)[O-])c1 764313376 WSFNRJNDQKZNPO-UHFFFAOYSA-N 436.786 5.319 30 20 IKED C=C(Cl)COc1ccc([C@H](C)N[C@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1 765987569 KFIXHIIAHPOEIM-ZWKOTPCHSA-N 432.967 5.330 30 20 IKED C[C@@H]1CCC[C@@H](OCCCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)C1 766624201 FHSIAZJIJXEHBE-STZQEDGTSA-N 435.593 6.014 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)n2)cc1 766844200 PYFPSFLABXKBHR-OWCLPIDISA-N 428.435 5.216 30 20 IKED CCc1nc2ccccc2n1N=Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 767373721 NULWKJFBNMAHJS-UHFFFAOYSA-N 437.330 6.040 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)c1=S 767504712 GXBJOVWSCMAOEY-SFHVURJKSA-N 445.514 5.128 30 20 IKED COc1ccc2c(c1)c(C(=O)N[C@@H](C#N)c1cccc(OC)c1OC)c(C)n2C1CCCC1 768154695 BHRHUSZWSLRMOK-NRFANRHFSA-N 447.535 5.085 30 20 IKED N#Cc1cccc([C@H]2CN(Cc3cccc(NC(=O)c4ccccc4Cl)c3)CCO2)c1 770385456 PYNQECOEEGOYRT-XMMPIXPASA-N 431.923 5.037 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1 771663704 NHWJOMOQVIDTAI-INIZCTEOSA-N 425.554 5.467 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1 772232202 NBNQRGHNMLVMAH-UHFFFAOYSA-N 444.491 5.274 30 20 IKED N#C[C@H](COC(=O)Cc1csc(-c2cccc(Br)c2)n1)Cc1cccs1 772743561 VKSVIUBOTAPSRK-CYBMUJFWSA-N 447.379 5.102 30 20 IKED C=CC[C@@H](NC(=O)N1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1)c1ccncc1 774873556 JVWMKRCGDAOUPP-TZIWHRDSSA-N 448.592 5.420 30 20 IKED COc1cc([C@H](C)NCc2cc(Cl)ccc2OCC#N)ccc1OCc1ccccc1 775029873 DWVZMXSOYHZSRX-SFHVURJKSA-N 436.939 5.681 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)C(=O)Nc2ccc3ccccc3c2)cc1 782808816 WOURRFSYZPVHPY-UHFFFAOYSA-N 435.483 5.062 30 20 IKED CC[C@@H](NC(=O)[C@@H](C#N)C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1ccccc1 787032656 RICROHYORZSOQC-JKSUJKDBSA-N 443.981 5.044 30 20 IKED N#Cc1cnc2c(c1)CC/C(=C/c1cccc(NC(=O)c3ccc(Cl)cc3Cl)c1)C2=O 788357131 ZCOBOUQXCWVUNZ-IUXPMGMMSA-N 448.309 5.725 30 20 IKED Cc1cc([C@@H](CC(=O)Nc2sc(C)c(C)c2C#N)NC(=O)OC(C)(C)C)cc(Cl)n1 788423077 FHPFLXJXFJEWLK-MRXNPFEDSA-N 448.976 5.188 30 20 IKED Cc1nc(CC2CC2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 789342431 JMXCUFGUTXHFRP-GOSISDBHSA-N 431.517 5.158 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)/C=C/c3cnc(-c4ccccc4OC)nc3)s2)cc1 792885061 SNVDBUDXFOFLJS-MDWZMJQESA-N 443.528 5.489 30 20 IKED N#Cc1ccc(OC2CCN(C(=S)Nc3ccc(SC(F)F)cc3)CC2)c(F)c1 795140210 WUTTYGMWJMUVMG-UHFFFAOYSA-N 437.512 5.252 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cc(-c3cccnc3)ccc2C)ccc1OC 797654427 JGNUHEMVUKBYCT-OAQYLSRUSA-N 430.508 5.068 30 20 IKED N#CC1(CCCOC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CCOCC1 800225985 ZXQVHXZBUXABJA-UHFFFAOYSA-N 426.494 5.003 30 20 IKED COc1ccc2cc(NC(=O)C(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)ccc2c1 806966502 IGOISVPOAOPSQB-SFHVURJKSA-N 449.510 5.203 30 20 IKED C#Cc1ccccc1CC(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F 812912655 SWFJWBJJTXUMRN-UHFFFAOYSA-N 440.396 5.259 30 20 IKED O=[N+]([O-])c1cccc(-c2ccc(C=Nn3c(S)nnc3-c3ccccc3Cl)s2)c1 912788487 FYXVWBQGJGNQSU-UHFFFAOYSA-N 441.925 5.406 30 20 IKED Cc1ccc(C(=O)N[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)C(C)C)cc1 915102387 XZMJFWIZVPYKQT-UNMCSNQZSA-N 431.561 5.058 30 20 IKED N#C[C@H](C(=O)CCc1nnc(-c2ccccc2)o1)c1nc2cc(C(F)(F)F)ccc2s1 915104909 WYGSXHXPWLIZIL-CQSZACIVSA-N 442.422 5.174 30 20 IKED C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915352563 MFMQRJYTEFFAMC-UQBPGWFLSA-N 436.519 5.148 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2CN2CCCCC2)cc1 915352626 NAHVQZQELMBFDH-HHHXNRCGSA-N 438.575 5.650 30 20 IKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1 915752123 GYOFXUZFWSXSFV-BJKOFHAPSA-N 445.950 5.447 30 20 IKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1cc(Br)cs1 916278670 OIQNOBLPEIZSGX-UHFFFAOYSA-N 429.368 5.017 30 20 IKED N#C[C@H](C(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)c1ccccc1 916622583 AXHUHTDSKGAEMH-FQEVSTJZSA-N 445.931 5.008 30 20 IKED CCCOc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 916628510 VXJLNCDOKDDCIU-NRFANRHFSA-N 432.545 5.747 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1 916883159 PPELTWSAXXRGKY-INIZCTEOSA-N 430.316 5.387 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1csc(-c2cccc(Cl)c2)n1 916917081 DMHYAYMZYVHZPF-SFHVURJKSA-N 431.904 5.578 30 20 IKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc2c(s1)-c1ccccc1OC2 916941861 AOOQXNTWADGOOY-MRXNPFEDSA-N 443.311 5.575 30 20 IKED O=C1Nc2ccccc2C12CCC(=NNC(=S)Nc1ccc(Cl)c(Cl)c1)CC2 917532999 AZSPRIWHHYVXMF-UHFFFAOYSA-N 433.364 5.100 30 20 IKED CCSc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2oc(C)nc2C#N)cc1 917555599 SILSHGZEFZDEPU-UHFFFAOYSA-N 428.521 5.265 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\CSc3ccc(F)cc3C2=O)cs1 917559447 JEGXFOKPRJLYTA-MDWZMJQESA-N 444.940 5.992 30 20 IKED COc1ccccc1Oc1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1F 919895099 VQYZMTVINBSXPW-UHFFFAOYSA-N 431.423 5.443 30 20 IKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN(Cc2cccs2)C(C)C)c1=S 919956837 ODTFOPBSJYWIQM-HXUWFJFHSA-N 442.610 5.042 30 20 IKED CCN(Cc1ccc2ccccc2c1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 920203694 JDABXXIDPUCRLW-HHHXNRCGSA-N 447.538 5.482 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNCc2cccc(F)c2)cs1 920374335 ZLABFPIYTKKNIB-UHFFFAOYSA-N 436.434 5.109 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)CCc3c[nH]c4ccccc34)CCC2)cc1 1786678189 KKOINFXNUXXLJD-UHFFFAOYSA-N 447.604 5.154 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3ccc4occ(Cl)c4c3)cc2)CCC1 1790089423 YQWPGOWYCYNXKG-UHFFFAOYSA-N 435.911 5.384 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3c3ccc(OC)cc3)CCC2)cc1 1791726264 LNNPKGLRDHHLMX-DQEYMECFSA-N 444.575 5.126 30 20 IKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)Cc4ccco4)cc3)CCC2)c1 1791912647 MYLOUQNGTDQWFV-IBGZPJMESA-N 441.531 5.086 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ncc[nH]4)cc3)cc2)CCC1 1792154851 USFGGSOQIYSSDR-SFHVURJKSA-N 428.536 5.037 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(Cl)cc1F 1803875158 DORCYFXXYLYICY-QKPAOTATSA-N 439.358 5.153 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C)cc2OC)[nH]n1 1819557086 XDKWXPHMMYKAFI-HXUWFJFHSA-N 438.572 5.025 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/Sc3ccc(C)cc3)CC2)C1 1823702833 YSMDSRGKTXTCCA-VVGNJXTRSA-N 438.637 5.187 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCC(F)(F)CC2)CC1 1829068274 NVNQYTYJDAENNZ-NRFANRHFSA-N 438.603 5.424 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(F)cc2F)CC1 1830475647 PZNOAUWRAHOZEW-YCRPNKLZSA-N 438.946 5.064 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)cc2OC)CC1 1832583990 SGWHHAKLSKALID-VWNXMTODSA-N 438.612 5.005 30 20 IKED C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 16771876 WILXFOZZEAHNHE-GFCCVEGCSA-N 441.919 5.063 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)NCCc2ccccc2)[n+]2ccc3c(c2)CCCC3)cc1 22791272 VHFFIHKRHVCLJE-UHFFFAOYSA-O 443.636 5.186 30 20 IKED Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)s2)c1 23356617 XSTHDRGNZGACAX-HNNXBMFYSA-N 441.557 5.157 30 20 IKED Cc1c(C#N)c(S[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nc2c1CCC2 24851527 JBHLQSTVWRKGBO-SNVBAGLBSA-N 440.783 5.830 30 20 IKED C=CCn1c(SCC(=O)N(CCC)CC2CC2)nnc1-c1ccc(Cl)cc1Cl 58025512 WLXJCGXTQHETMI-UHFFFAOYSA-N 439.412 5.179 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(-c4ccc(C)cc4C)s3)n2)cc1 61068619 FWZHBVOOGMGWQX-LJQANCHMSA-N 429.570 6.349 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 64456876 JTGUXZWZYSPCKO-UHFFFAOYSA-N 439.880 5.532 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(OCc2ccccc2)cc1 78665564 VEMPOOFDGXMHHH-LJQANCHMSA-N 432.545 5.677 30 20 IKED CCN(Cc1ccccc1)c1ccc(/C=C/C(=O)c2ccc(S(C)(=O)=O)c(OC)c2)cc1 109481296 JVQHVBMPVRJXNO-FOWTUZBSSA-N 449.572 5.021 30 20 IKED N#C[C@@H](C(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)Nc1ccc(Cl)cc1Cl 113144702 RICQUNQWKOLACH-INIZCTEOSA-N 445.277 5.673 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 303255240 DAQDBVWRCUKDGR-AWEZNQCLSA-N 437.956 5.302 30 20 IKED COc1ccccc1C[C@H](C)CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 303288912 KHULZJGUPYLWDK-FQEVSTJZSA-N 428.532 5.548 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 303311270 OZQAHNMIPNRPIB-MHZLTWQESA-N 437.543 5.370 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 303374296 UFDIKDMNOPWXIJ-HKUYNNGSSA-N 429.545 5.226 30 20 IKED Cc1ccc(OCc2cccc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)c2)cn1 303553880 MECJHAGEOYLVDM-UHFFFAOYSA-N 439.437 5.045 30 20 IKED C=CCCc1ccccc1NC(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1 410352559 JSUIGIYDCNZJSP-UHFFFAOYSA-N 439.353 6.102 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NC(=O)N[C@@H](CCC#N)c3ccccc3)s2)cc1 429077756 LOUOALWMANYDSR-UWJYYQICSA-N 434.565 5.532 30 20 IKED N#Cc1c(NC(=O)CCN2CCC(c3ncccc3Cl)CC2)sc2c1CCCCC2 429215603 QAQYKLOZXRRBTG-UHFFFAOYSA-N 443.016 5.145 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(C(C)(C)C(F)(F)F)cc2)c1C#N 433596906 QZMRZHBNXAAORL-UHFFFAOYSA-N 444.482 5.558 30 20 IKED CC(C)Oc1ccc(NC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1C#N 435539308 GIBQUYBYRMMGND-UHFFFAOYSA-N 438.915 5.552 30 20 IKED CN(C(=O)c1ccc(COc2ccc(Br)cc2)o1)c1cc(Cl)ccc1C#N 436002457 JIOOGSPRSYBAQD-UHFFFAOYSA-N 445.700 5.423 30 20 IKED C=C(C)COc1cccc(NC(=O)NC2(c3noc([C@@H]4CCCO4)n3)CCCCCC2)c1 437760526 PYTIQIUPDXRMOF-FQEVSTJZSA-N 440.544 5.247 30 20 IKED N#CCC[C@@H](NC(=O)c1ccc(COc2ccc(Br)cc2)o1)c1ccccc1 439664130 UFWNXXGHEUULNV-HXUWFJFHSA-N 439.309 5.396 30 20 IKED Cc1ccc(-c2nc(CN(Cc3ccc(C#N)cc3)c3ccc4nc(O)[nH]c4c3)co2)cc1 440731482 KNYFTKBYKSZXBE-UHFFFAOYSA-N 435.487 5.310 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cccc([C@H]2CNC(=O)C2)c1)c1ccc(C(F)(F)F)cc1 442220049 IFGRWVRTWBDRLI-YLJYHZDGSA-N 431.458 5.138 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[C@H]2CC(=O)c2cccs2)cc1 443670704 ATENFFGXPVGRIK-KRWDZBQOSA-N 434.492 5.429 30 20 IKED N#CCCCn1cc(C(=O)N2CC=C(c3cccc(Br)c3)CC2)c2ccccc21 444273608 RJQGIEBWYHPFQO-UHFFFAOYSA-N 448.364 5.637 30 20 IKED Cc1cccc2nc(C3CCN(C(=O)Nc4ccccc4S[C@@H](C)CC#N)CC3)oc12 444815358 FNDZZRIRTXHOJR-KRWDZBQOSA-N 434.565 5.942 30 20 IKED C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@H]1[C@H]1CCCO1 460810114 BVBONJXUQRSSDA-VQTJNVASSA-N 435.597 5.101 30 20 IKED COc1cc(CNC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)ccc1C#N 462475530 PVLIFLBPPMGKGF-NRFANRHFSA-N 444.535 5.392 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1SCCc2sccc21 463620109 FQFUVXHBROAVIY-QGZVFWFLSA-N 426.376 5.195 30 20 IKED Cc1ccc2nc(-c3cccnc3)cc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)c2c1 464474456 KRRXZLCGMONJIU-IBGZPJMESA-N 432.405 5.509 30 20 IKED Cc1nc(C(C)(C)NCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)sc1C 464811152 SWIIWKDTGMUZGE-UHFFFAOYSA-N 427.618 5.019 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC(C)(C)c1nc(C(F)(F)F)cs1 467704564 LALLOBTYBNEZJG-NSHDSACASA-N 428.505 5.613 30 20 IKED COc1cc(CN[C@H](c2ccc(C)cc2)c2ccccn2)ccc1OCc1cccc(C#N)c1 471069020 LWRYZGYKGIIWHW-GDLZYMKVSA-N 449.554 5.729 30 20 IKED C=C(C)Cn1c(SCC(=O)NC(C)(C)c2cccc(Cl)c2F)nnc1-c1ccco1 471638474 JSFXRSXHRBJHBI-UHFFFAOYSA-N 448.951 5.050 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCSC[C@H]2c2nccs2)c1 472098928 YWGMBWPFBWTMHN-SFHVURJKSA-N 441.965 5.391 30 20 IKED N#CCSc1cccc(C(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)c1 472955244 SHLZLURESNFXHT-UHFFFAOYSA-N 435.376 5.430 30 20 IKED CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)C[C@H](CC#N)c1ccccc1 474288945 ZYHBMRHZDDQSKG-NRFANRHFSA-N 440.572 5.647 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)n1 474433770 JVNRPMAUHMWJQJ-GOSISDBHSA-N 429.549 5.749 30 20 IKED C=C(C)Cn1c(SCC(=O)N(C)Cc2ccc3ccccc3c2)nnc1-c1ccco1 479846970 HQPINMDLFHQLRT-UHFFFAOYSA-N 432.549 5.018 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 480557866 UOOCDCZADPFLHT-UHFFFAOYSA-N 427.529 5.198 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@](C)(CO)c1ccc(Br)cc1 482044471 FQBVOYMZAGOHSX-JOCHJYFZSA-N 431.374 5.330 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N[C@@H](C(=O)Nc3ccccc3)c3ccccc3)c2)cc1 482813362 PNDBHDLOTQWQIL-AREMUKBSSA-N 447.494 5.460 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCc2cn(C(C)C)nc2C1 482925150 WMDVSFTYUMCZQY-FQEVSTJZSA-N 429.524 5.115 30 20 IKED CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)c1 486582523 BKXLYHOPGBOBMH-UHFFFAOYSA-N 425.548 5.135 30 20 IKED COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 487871060 IJJPSGNKLRJEIE-QGZVFWFLSA-N 441.837 5.004 30 20 IKED N#Cc1ccc(NC(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1Br 487960367 TWTILUUMWKJORD-AWEZNQCLSA-N 445.386 5.068 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc([C@@H](CC)c2ccccc2)o1 488759048 BRNYLUHBKFGKGO-KRWDZBQOSA-N 425.579 5.620 30 20 IKED C=C(C)Cn1c(S[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)nnc1-c1ccncc1 489409644 SRFZQSGOWIZMAT-AWEZNQCLSA-N 438.944 5.473 30 20 IKED C=C(C)Cn1c(S[C@H](C(=O)N2CCCc3ccccc32)C(C)C)nnc1-c1ccncc1 489457419 CCESCVPAZKKYBQ-QFIPXVFZSA-N 447.608 5.012 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Sc2ccc(Cl)cc2)cc1 490122866 PPHHCMPKQOBSEO-UHFFFAOYSA-N 438.984 5.790 30 20 IKED C=CCN(C(=O)c1ccc(NC(=O)Nc2ccccc2)s1)c1nc2c(s1)CCCC2 494018637 DZGGYLBDVDVEMO-UHFFFAOYSA-N 438.578 5.560 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C#N)c2cccc(Br)c2)c1 496246914 VJKHSZPCJKRZFY-SFHVURJKSA-N 448.748 5.082 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Br 498296858 VRLUGMIEDHSKPB-LBPRGKRZSA-N 437.721 5.167 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)COc3ccc(C(F)(F)F)cc3)c2)cc1 501472147 MHDBSGCOCYWBAV-UHFFFAOYSA-N 440.421 5.368 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 502102651 ZUAIFMBAESQRLL-HZPDHXFCSA-N 449.366 5.865 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCCC34CCOCC4)cc2Cl)cc1 502153958 UCPZXGOLKQFVAW-OAQYLSRUSA-N 425.916 5.475 30 20 IKED CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C(C)(C)C)C3)o1 509949414 RRQCYIKAXQEBDG-NYHFZMIOSA-N 446.642 5.096 30 20 IKED C/C=C\c1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 510574958 RBAJGJBZLJGINH-JUUSZVOTSA-N 429.907 5.606 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1 510682962 OYRBLTPLZPSQPZ-RPWUZVMVSA-N 431.467 5.531 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@@H](c3nc([C@@H](F)c4ccc(C(F)(F)F)cc4)no3)C2)n1 512024932 LBELBDGNRBTLRJ-AEFFLSMTSA-N 445.420 5.106 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)s2)c(C)c1 512946246 AAMXXWXGERWGFT-SFHVURJKSA-N 430.558 5.744 30 20 IKED CC(C)Cn1cc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c2ccccc21 513677349 VHBIJCXUHRSSFC-QGZVFWFLSA-N 444.560 5.376 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)c2C#N)C1 514898770 CMGGOZYMDCXSTF-LBPRGKRZSA-N 427.476 5.249 30 20 IKED N#C[C@@H](C(=O)c1cccc(OCc2cscn2)c1)c1nc2cc(Cl)ccc2s1 515539095 FSPVOJGIACICIZ-INIZCTEOSA-N 425.922 5.475 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2cccc(Br)c2)c1)c1nc(-c2ccccc2)cs1 517385869 AXNRGBBLBHOCQV-GOSISDBHSA-N 449.333 5.248 30 20 IKED Cc1[nH]c2ccc(CNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2c1C 518900579 KKVMGYQZAHLLKE-UHFFFAOYSA-N 438.531 5.752 30 20 IKED CC(C)NC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 520432075 LJZPDQCRGDKBFK-HNNXBMFYSA-N 440.475 5.108 30 20 IKED CCOc1ccc([C@H](NC(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccccc2)cc1 520855447 NKXFVJFMBREOFI-KBMIEXCESA-N 445.588 6.248 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)CCCCCc3cccs3)s2)cc1 520973201 PHLKPOQJXBJFHL-UHFFFAOYSA-N 428.608 5.505 30 20 IKED N#Cc1ccc(S(=O)(=O)N2CC=C(c3cccc4ccccc34)CC2)c(C(F)(F)F)c1 521154101 SLHIPXFGOCQHRA-UHFFFAOYSA-N 442.462 5.208 30 20 IKED CCCC[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 521740160 PGSKEWRSZANHOG-HOCLYGCPSA-N 441.519 5.125 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc(/C=C\c3ccccc3)cs2)c1 522685869 AIBLCKLURUAZDB-KTKRTIGZSA-N 427.485 5.609 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN(Cc4cccnc4)C3)cc2Cl)cc1 522830427 OSODNBOKKGOKCR-FQEVSTJZSA-N 446.938 5.250 30 20 IKED C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F 523535330 JIKNLVWCOTZBNF-NSHDSACASA-N 434.892 5.411 30 20 IKED Cc1cccc(COc2cccc(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c2)c1 523619212 PIXNSDSTVYOKGY-UHFFFAOYSA-N 442.563 5.041 30 20 IKED Cc1csc(-c2cccc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c2)n1 524810199 QEYCXBKHZRPTDG-INIZCTEOSA-N 446.557 5.198 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H](CCO)c3ccccc3)cc2Cl)cc1 524901386 ZFUODANWNJTZPB-IBGZPJMESA-N 435.911 5.292 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)N[C@H](C)C(=O)N(CCC#N)c3ccccc3)s2)cc1 525756610 IGJZTTDCBQAERL-PKOBYXMFSA-N 448.592 5.113 30 20 IKED CN(CC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccccn1)CC2(C)C)CC1CC1 532919655 YPFIXKIGUGKDNG-KTKRTIGZSA-N 432.593 5.073 30 20 IKED CN(CCCc1ccccc1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 533894910 IOKUHZAPBFDRDC-QHCPKHFHSA-N 445.950 5.025 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 534904172 ORSFOVXVOTXOFI-RBUKOAKNSA-N 428.557 5.912 30 20 IKED N#C[C@@H](NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)c1ccc(OC(F)(F)F)cc1 535783036 CZDVAVAUSKZXNV-UEWUEVEISA-N 446.391 5.415 30 20 IKED C[C@H](CC(=O)c1ccccc1F)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 537247718 SHBFZIUZBRVLIE-PIGZYNQJSA-N 435.339 5.473 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1cccc(OCCCC#N)c1 542078934 UKJZNZZJQDEJCK-UHFFFAOYSA-N 429.398 5.604 30 20 IKED C[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H](C)c1ccccc1C(F)(F)F 542566449 KTZWSZODIQTVGM-ZACQAIPSSA-N 449.542 5.820 30 20 IKED CCn1c(NC(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)nc2cc(C#N)ccc21 543854758 UNKYMPIXBXLDMB-UHFFFAOYSA-N 439.397 5.162 30 20 IKED CCCNC(=O)Nc1ccc(CC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 543917399 BAOFYQXRFSJKTR-IBGZPJMESA-N 440.547 5.177 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 544302416 CHEPMYHQEAVWQT-SFHVURJKSA-N 435.549 5.440 30 20 IKED FC(F)(F)CCc1noc(-c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)n1 546999831 AYQVOOXSQJPZGA-UHFFFAOYSA-N 438.246 5.114 30 20 IKED CC(C)(C)c1nsc(Oc2ccc(NC(=O)Cc3cccc(C#N)c3)cc2Cl)n1 547726785 UOOMDAIZWOIJFY-UHFFFAOYSA-N 426.929 5.334 30 20 IKED CC(C)COc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCC(C#N)(c2ccccn2)CC1 548902562 FNVPKVWDOIKNCX-HSZRJFAPSA-N 448.611 5.471 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 558650092 UUPXGYMGKLKVOU-QHCPKHFHSA-N 430.939 5.091 30 20 IKED Cc1nc(-c2cccc(NC(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)c2)oc1C 561069733 KDOYSJATUWFBIW-UHFFFAOYSA-N 448.954 5.729 30 20 IKED N#Cc1ccc(C[C@@H](C#N)c2nc(-c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)no2)cc1 568561041 DLCSFGWYCIIHKW-IBGZPJMESA-N 437.415 5.159 30 20 IKED CC(=O)Nc1ccc(C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F 576136478 QDJDRDBBULPOHB-UHFFFAOYSA-N 436.327 5.094 30 20 IKED C[C@@H](NC(=O)NCc1ccccc1Cn1ccnc1)c1ccc(-c2cccc(C#N)c2)cc1 582441310 WKXNTKRBFHMAMJ-HXUWFJFHSA-N 435.531 5.030 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1cc(Cl)ccc1SC(C)C 591743977 NNVDUDFXQRIPHE-UHFFFAOYSA-N 432.973 5.002 30 20 IKED Oc1nc(CNc2ccc(C(F)(F)C(F)(F)F)cc2)nc2cc(C(F)(F)F)ccc12 591808186 LUDKUDNNEOMGHX-UHFFFAOYSA-N 437.290 5.620 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CC[C@H]1Cc2ccccc2NC1=O 603532805 UZHQIVVZNPCPAU-QFIPXVFZSA-N 441.506 5.130 30 20 IKED C[C@H](Nc1cccc(COCc2ccco2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 604046323 YQKKQNVSOBDVAG-KRWDZBQOSA-N 449.576 5.638 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc4ccsc4[nH]3)s2)c(C(F)(F)F)c1 604248884 DAQSUSIMLKFMDH-UHFFFAOYSA-N 432.452 5.419 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1 604504944 INGDSDMRBDLKPN-AREMUKBSSA-N 439.515 5.252 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(C2CC2)nc2ccc(F)cc12 608110294 LFEFUBLYPIVOHI-IMRBUKKESA-N 448.382 5.891 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc3c(s2)-c2ccccc2C(C)(C)C3)n1 608865832 XEVVTCRUSQKFBM-HNNXBMFYSA-N 436.558 5.372 30 20 IKED COCCN(C(=O)c1cc2ccccc2n1CC#N)[C@H](C)c1cccc(C(F)(F)F)c1 609168538 ZWXWUESVEDQEDW-MRXNPFEDSA-N 429.442 5.033 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)CCOc1ccc(Br)cc1 609435195 XKUYNCATEZLVJZ-HNNXBMFYSA-N 448.386 5.386 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Br)cc3Cl)cc2)nc1 609496799 YSXQWKRVDLFEOX-UHFFFAOYSA-N 428.673 5.414 30 20 IKED COc1ccc(SCCC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC 610116708 BZUGVGBSXUJLNJ-UHFFFAOYSA-N 434.517 5.489 30 20 IKED CC[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cc(F)ccc1F 610141200 JBEWKYOACJMTPU-QHCPKHFHSA-N 435.474 5.883 30 20 IKED N#CCCN(C(=O)CSc1nnc(-c2cccc3ccccc23)o1)c1cccc(Cl)c1 610166578 QCGIWUNIMBCQRH-UHFFFAOYSA-N 448.935 5.582 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)cc1 611261947 YRWOJZHXKNZHQB-UHFFFAOYSA-N 446.547 5.670 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H](C[C@H]3CCOC3)C2)cc1 611357720 JPGCIGZZKNATKO-VQTJNVASSA-N 435.524 5.030 30 20 IKED CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc3c(c(-c4ccco4)c2C#N)CCC3)cc1 612736323 YIAABRWNFJBSHA-OAHLLOKOSA-N 431.517 5.024 30 20 IKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)nn2-c2ccccc2)cc1 613292297 FQJCIFRKYMFWJI-QHCPKHFHSA-N 444.494 5.586 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)CCCCC(=O)c3ccccc3)s2)cc1 616990086 JAIHYMMZQFCAPQ-UHFFFAOYSA-N 436.562 5.084 30 20 IKED CN(C(=O)N[C@H]1CCc2cc(C#N)ccc21)[C@H]1CCSc2ccc(Br)cc21 618840418 CZTLAXIAKROZFJ-OALUTQOASA-N 442.382 5.187 30 20 IKED CC(C)(C)C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)c1ccc(F)cc1 674614940 NKWYXQUMAQJVGU-KFWWJZLASA-N 428.392 5.685 30 20 IKED Cc1c(S(=O)(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)oc2ccc(F)cc12 675452695 NXEAKCBRKRXYRU-NXEZZACHSA-N 447.372 5.068 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cccc3ncccc23)cc1Cl 726519063 BGGPQBTTZMKXQX-FQEVSTJZSA-N 433.920 5.344 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)cc1Cl 726626889 MIDCCBITIOLDPY-VIZOYTHASA-N 435.755 5.380 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc1 727589722 ZWFIXJLJRKLKTB-URXFXBBRSA-N 449.913 5.740 30 20 IKED O=C1/C(=C\c2ccc(N3CCOCC3)c(F)c2)CCc2nc(-c3ccc(F)cc3)sc21 727685167 CCOJIIDAROSAJF-LGMDPLHJSA-N 438.499 5.137 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)cc1 730397117 XPYBSJHZGXNIOX-IBGZPJMESA-N 433.826 5.104 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3sccc3SC(F)F)c2)cc1 730478930 QOQVKNJESHYZMT-UHFFFAOYSA-N 430.501 5.960 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@@H]1c1csc(-c2ccc(F)cc2)n1 731426453 BJWBNOQMQOXMFX-LJQANCHMSA-N 443.956 5.122 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)c1 732063164 NFLXPPNTHKXUQK-OAQYLSRUSA-N 441.369 5.104 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)cc2)nc1 733233981 HWOBNCSBHICIJB-UHFFFAOYSA-N 425.444 5.478 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F 741426603 FJXVGJXRVDTISZ-GVDBMIGSSA-N 426.394 5.070 30 20 IKED COc1ccc(/C=C\C(=O)c2ccc3c(c2)COC3)cc1OCc1ccc([N+](=O)[O-])cc1 742434917 NMCHIJHSHUFEFW-WMZJFQQLSA-N 431.444 5.109 30 20 IKED N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1 744027306 PNBSURMYJCMDHQ-QGZVFWFLSA-N 431.319 5.557 30 20 IKED C=CCOc1ccc(C(=O)OCc2ncc(-c3ccccc3Br)o2)cc1OC 744609021 LJJXUOKWXHKPMO-UHFFFAOYSA-N 444.281 5.035 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)N[C@@H](CCC#N)c2ccccc2)cc1 747986610 UWOGGGJNWYOEBC-AVRDEDQJSA-N 436.556 5.117 30 20 IKED N#Cc1ccc(/C=C2/SC(=S)N(c3ccc(OC(F)F)c(Cl)c3)C2=O)s1 749017666 ZEYOECRTUFVNHE-AWNIVKPZSA-N 428.894 5.280 30 20 IKED CCCOc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)cs2)cc1 750393150 YKNVFONCYFQMMU-MRXNPFEDSA-N 439.924 5.213 30 20 IKED N#CCSc1ccccc1NC(=O)COC(=O)c1cc(Cl)ccc1OC1CCCC1 750468179 IUQAGVFCJJJPTG-UHFFFAOYSA-N 444.940 5.073 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCCCC[C@@H]2C[C@H](O)c2ccco2)c1 752101464 MQMAJOKYCCBMOA-NOZRDPDXSA-N 444.531 5.239 30 20 IKED CC[C@@H]1CN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC[C@H]1NC(=O)OC(C)(C)C 757882942 PNPBDJODJQLZLT-RCCFBDPRSA-N 446.617 5.095 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(C2CC=CC2)C1=O)Nc1ccccc1F 759693108 FOBQHCZNJOWJFH-IBGZPJMESA-N 443.931 5.158 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2(c3ccc(F)cc3F)CCOCC2)cc1 760734466 JGRYJYNJYVGRHM-QFIPXVFZSA-N 447.485 5.448 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(-c3ccccc3)o2)cs1 761803731 FGZSSHJTRFRBDI-RAXLEYEMSA-N 428.513 6.292 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCOc3c(C)cc(C)cc3C2=O)cs1 763116976 SVBDJWQWAUSYFX-CPNJWEJPSA-N 432.545 5.802 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SC[C@H](O)c1cccc(C(F)(F)F)c1 764680428 BXEUSSHWAHCSHP-IBGZPJMESA-N 449.498 5.196 30 20 IKED CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 765590649 XAEBLBMNCRTPHM-GOEBONIOSA-N 441.459 5.442 30 20 IKED Cc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(Cl)c1 766327273 VXRWQQHFIBMONK-SFHVURJKSA-N 435.936 5.679 30 20 IKED N#CCCCn1cc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)c2ccccc21 768029051 SIXFMYPTOLYSQC-XMMPIXPASA-N 443.572 5.383 30 20 IKED C=CCNc1ncc(C(=O)O[C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)s1 770108613 YAUKPFVWCBSWRU-VIFPVBQESA-N 425.297 5.016 30 20 IKED COCCN(C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)c1ccc(C#N)cc1 772147737 ILSYIZYFHJWJRJ-UHFFFAOYSA-N 427.508 5.333 30 20 IKED N#C[C@H](COC(=O)c1csc(-c2cc(Br)cs2)n1)Cc1cccs1 772734096 MPFIVJZWZKQGTB-SNVBAGLBSA-N 439.381 5.235 30 20 IKED CN(C(=O)Cc1ccccc1CC#N)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 776927509 DOAOAQSSCOVHGF-UHFFFAOYSA-N 425.410 5.164 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccc(C2(C#N)CC2)cc1 778026941 CDLDYIQKBQGZQG-QFIPXVFZSA-N 431.536 5.396 30 20 IKED C=CCC[C@@H](C(=O)OCc1csc(N(C(C)=O)c2ccccc2F)n1)c1ccccc1 778553501 WNWOQOWPRZAUBN-HXUWFJFHSA-N 438.524 5.760 30 20 IKED N#C[C@H](C(=O)Cn1c(Cc2ccccc2)nc2ccccc21)c1nc(-c2ccncc2)cs1 780330339 UKCDEVYMRNQYFX-HXUWFJFHSA-N 449.539 5.022 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1 791862094 NEFYPZJFWCAGMH-OXJNMPFZSA-N 431.458 6.145 30 20 IKED FC(F)(F)CCCCNC(=S)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 794988036 BMXZNLYCDRUGCP-LLVKDONJSA-N 426.348 5.506 30 20 IKED Cc1ccc(CN(Cc2ccco2)C(=O)c2ccccc2OCC#N)c(Br)c1 799456218 QMIXGZMQEPFSEM-UHFFFAOYSA-N 439.309 5.096 30 20 IKED O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)OC1CCOCC1 810062242 UKKQZAFKMDIECE-GFCCVEGCSA-N 439.274 5.233 30 20 IKED O=C(COC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)nc1Cl 811221251 AZALMEWZXOIPRB-ZDUSSCGKSA-N 443.702 5.209 30 20 IKED CC(CCCCNC(=O)OC(C)(C)C)=NNc1nc(C(F)(F)F)nc2ccccc12 811635711 IRMJLEUNJDJLTH-UHFFFAOYSA-N 425.455 5.131 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc2c(c1)CCC2)[n+]1cc(O)cc(-c2ccccc2)c1 811723872 OYGKOHVSTPNILN-UHFFFAOYSA-O 443.592 5.212 30 20 IKED Cn1nccc1-c1ccccc1/C=C1\SC(=S)N(c2ccc(C#N)c(Cl)c2)C1=O 814185993 SXIVELYSRVYTEZ-GRSHGNNSSA-N 436.949 5.018 30 20 IKED N#Cc1ccc(-c2ccc(OC(=O)CSc3nnc(-c4ccc(F)cc4)o3)cc2)cc1 912630096 JJRTWFIXZCIWBN-UHFFFAOYSA-N 431.448 5.112 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)/C=C\c1ccc2ccc(Cl)cc2n1 912873797 ROIRSFDAEAGDDS-SNGWPZLWSA-N 440.952 5.109 30 20 IKED COc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1NC(=O)OC(C)(C)C 915077769 LXGPRUFDHNCIMY-UHFFFAOYSA-N 443.503 5.833 30 20 IKED CCCCOc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC 916941994 CPPIYCGTSLXDKA-QGZVFWFLSA-N 435.307 5.142 30 20 IKED N#C[C@H](C(=O)COc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccccc2)cs1 917026108 WOIDYAGRUKRWNH-HSZRJFAPSA-N 440.524 5.644 30 20 IKED CCOc1ccccc1-c1nnc(S)n1N=Cc1csc(-c2ccc(Cl)cc2)n1 917029719 KHOBCZXLVGUYMJ-UHFFFAOYSA-N 441.969 5.292 30 20 IKED C=CCn1c(C2CC2)nn(CN(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)c1=S 917489001 BEXKGRJAOALVDF-UHFFFAOYSA-N 440.535 5.125 30 20 IKED CC(C)c1cccc(N=C2NC(=O)[C@H](CC(=O)Nc3cccc(Cl)c3Cl)S2)c1 917635012 GIWZLBDHZSHABH-INIZCTEOSA-N 436.364 5.365 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1 918034299 MVVIIKZFOSCODP-SDHSZQHLSA-N 429.495 5.523 30 20 IKED CCOc1cc(C#N)ccc1OC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 920020033 VUZGYMOCCZIVMX-AWEZNQCLSA-N 442.924 5.493 30 20 IKED N#C[C@H](C(=O)C1(c2cccc(F)c2)CCOCC1)c1nc(-c2ccc(Cl)cc2)cs1 920110095 KQDDUYCEOIGBQK-LJQANCHMSA-N 440.927 5.527 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)n2)cc1 920138758 IQWAHDRNSZITQR-KDOFPFPSSA-N 426.925 5.424 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)CCC1 1786696641 FWNJVBRJDISRTN-UHFFFAOYSA-N 426.944 5.209 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](CC)N(CC)CC)CCC2)cc1 1789448756 GIMHZOHLLPIQBT-DHIUTWEWSA-N 425.617 5.009 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCc4ccoc4C3)CCC2)cc1 1789449142 OBHNHLHWCHMMNF-REWPJTCUSA-N 432.564 5.287 30 20 IKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4ccoc4Cl)cc3)CCC2)c1 1790206690 RDSTYJZHUNUQCO-UHFFFAOYSA-N 437.858 5.005 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)c(F)cc4[nH]3)CCC2)cc1 1791249996 GBWQGSAPNBGKMP-OAHLLOKOSA-N 437.490 5.406 30 20 IKED N#CCC(=O)NC1(c2ccc(NC(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)cc2)CCC1 1791502722 DVATUOLVDJGRBK-UHFFFAOYSA-N 442.346 5.073 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@]4(C)CC4(F)F)CCC3)cc2)c1 1792124368 VLMYZYZKNDJMBM-QMHKHESXSA-N 437.490 5.107 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc3ccc(Cl)cc3c1)C2 1798593500 QFTAIIADQKZFGQ-WKCHPHFGSA-N 439.987 5.132 30 20 IKED CCCCC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)cc(C(F)(F)F)c1 1800743425 MPJOAUSSBNIWMY-HUJKARHJSA-N 449.517 5.045 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)[C@@H]1c1cccnc1 1812902332 RZLFHDLMMYVBAZ-BYWXWQNBSA-N 437.628 5.072 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3cccnc23)n[nH]1 1818482462 JIBQQYJUEWDROO-SIKLNZKXSA-N 443.551 5.032 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)cc(Cl)c2)[nH]n1 1819311299 UTAGHZQICNUNGR-QUCCMNQESA-N 444.938 5.277 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)c2ccc(Cl)cc2)[nH]n1 1821917631 ZKEHMSQOFPVHAW-FTRWYGJKSA-N 428.964 5.071 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cnccc3c2)CC1 1824142080 FOIXSCQPGCSUIQ-SANMLTNESA-N 445.607 5.237 30 20 IKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccsc2)CC1)c1ccccc1 1829030809 TWRCYTRELJXEIX-JWQCQUIFSA-N 448.632 5.179 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2C(F)(F)F)CC1 1829939347 LWZQYMAOSGQYDX-UTKZUKDTSA-N 436.518 5.151 30 20 IKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)CC1 1830422281 UWMNPZXIRABMKO-XMMPIXPASA-N 446.676 5.195 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)Oc2ccccc2)CC1 1831528636 RFHFDIVPIRHERU-XUZZJYLKSA-N 440.628 5.066 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc(Oc3ccccc3)cc2)C1 1845313139 YAPWSVLUEYZRGF-XMMPIXPASA-N 430.548 5.064 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccc(Cl)cc1 16862773 BENTVCLWDPXAEW-GFCCVEGCSA-N 434.899 5.182 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)=C(/S)Nc1ccc(C)c(C)c1 22695592 BCPNBPBIVMIIAQ-UHFFFAOYSA-O 448.568 5.421 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)c(Cl)c1)=C(/S)NCc1ccccc1 22730669 YLYMVTZRYRRRBR-UHFFFAOYSA-O 444.407 5.572 30 20 IKED C=CCn1c(SC[C@H]2CN=C(c3ccc(OC)cc3)S2)nnc1-c1cccc(C)c1 23591026 XXGAHCBLAGETQA-HXUWFJFHSA-N 436.606 5.102 30 20 IKED COc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OCc1ccccc1 217047046 DROIJLLHUYPCMW-SFHVURJKSA-N 432.545 5.921 30 20 IKED C=CCOc1ccc(CN[C@@H](c2ccc(CC)cc2)c2cccc(S(C)(=O)=O)c2)cc1 236981590 UAFNUVZFTYLELM-SANMLTNESA-N 435.589 5.097 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nc2ccccc2n1C(F)F 303252884 CMIQAXLCWMLLRY-ZDUSSCGKSA-N 432.521 5.414 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 303267320 GMSYVJJASZQTKM-KRWDZBQOSA-N 428.517 5.636 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc2c(F)cc(Br)cc2[nH]1 303393588 PDSLMLCNGUMLHA-NSHDSACASA-N 432.318 5.574 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCc1cccc2cccnc12 409479116 VOPPXNOEUNLYPC-UHFFFAOYSA-N 442.332 5.077 30 20 IKED Cc1c(C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)sc2ccc(C#N)cc12 428205208 PDTQFLQWFDWSDD-UHFFFAOYSA-N 445.523 5.458 30 20 IKED CCOc1cccc2cc([C@H](C)NC(=O)c3cnn(CCC#N)c3-c3ccccc3)oc12 428297545 AOSCRCKDBNBEBG-KRWDZBQOSA-N 428.492 5.100 30 20 IKED Cc1ccc(NC(=O)[C@@H]2CCc3ccccc3N2C(=O)c2cccc(SCC#N)c2)cc1 429783393 GWFAMPTXWUCVJJ-DEOSSOPVSA-N 441.556 5.211 30 20 IKED CN(C(=O)c1cccc(SCC#N)c1)[C@H]1CCSc2ccc(Br)cc21 430716906 TZUQUCOVLVTXGA-KRWDZBQOSA-N 433.396 5.374 30 20 IKED CCN1CC[C@H](NC(=O)N[C@@H](CCCC#N)c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 431470179 KOELFWZXPVLWRG-RJGXRXQPSA-N 442.966 5.349 30 20 IKED CN(Cc1ccccc1NC(=O)N[C@H](CCCC#N)c1ccccc1)C(=O)c1cccs1 432945001 WUYWFAJPFXZWTF-OAQYLSRUSA-N 446.576 5.577 30 20 IKED N#Cc1cccc(C2(C(=O)Nc3nc(-c4sccc4Br)cs3)CC2)c1 435066792 WHSCUMBQRMBYMA-UHFFFAOYSA-N 430.352 5.176 30 20 IKED C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(Cc2cn(CCC#N)nc2-c2ccncc2)C1 435135157 MQPUPBMFQWJIOS-JTSKRJEESA-N 439.485 5.461 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 437463433 SKKRMSPXMPSBQS-UHFFFAOYSA-N 440.478 5.473 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H](CSc3ccccc3)C2)cc1 437823347 RJJQSVIPHCNCPW-HXUWFJFHSA-N 435.593 5.147 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N(CCc3ccccn3)Cc3ccncc3)cc2)cc1 438096442 JERSOEWSORWOQN-UHFFFAOYSA-N 448.526 5.220 30 20 IKED CSc1ccc(-c2nsc(NC(=O)c3occc3COc3cccc(C#N)c3)n2)cc1 440473088 WNDRRIQELLSLEW-UHFFFAOYSA-N 448.529 5.223 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(COCC(F)(F)F)c1 442267618 IAFCWDOXHAAGFX-UHFFFAOYSA-N 432.895 5.378 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(F)c(Br)c3)n2)cc1 442872113 JCTJNMJZUFZDBC-CQSZACIVSA-N 426.270 5.073 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H]1c1cccc(OC)c1 460375933 NHXMBMOYSOPVHI-XMMPIXPASA-N 427.552 5.276 30 20 IKED C=CCN(Cc1ccc(Cl)s1)c1nnc(Cc2ccccn2)n1Cc1cccs1 461488376 NYWYBUMBUVBRGN-UHFFFAOYSA-N 442.013 5.281 30 20 IKED CC(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c1 464275934 PUKFJMDSBGPWSB-UHFFFAOYSA-N 439.393 5.580 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)c1ccc(-c2ccccc2OC)cc1 466074383 KRXBOVBKLYXBFN-HXUWFJFHSA-N 425.532 5.693 30 20 IKED C[C@@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)Oc1ccccc1Cl 466173557 LHPXECUXUCVRSQ-SFHVURJKSA-N 449.938 5.574 30 20 IKED Cc1nnc(-c2ccc(C(=O)N(Cc3ccc(C#N)cc3)c3ccc(F)cc3C)cc2)o1 468603335 SDKOWWJAYGPAAO-UHFFFAOYSA-N 426.451 5.211 30 20 IKED COC[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc(C)o1 472742683 ZYHSWTIVQUDVCU-HXUWFJFHSA-N 439.899 5.201 30 20 IKED C[C@H](NC(=O)NCc1ccc(C#N)cc1)c1nc(-c2ccc(Br)cc2)cs1 475119798 PLFLOQLXCNDDLI-ZDUSSCGKSA-N 441.354 5.005 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC1CCN(C(=O)CCc2ccccc2)CC1 475556780 SOKFKXVZZKENCG-UHFFFAOYSA-N 433.596 5.284 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)N[C@@H]3CCSc4ccc(Cl)cc43)CC2)c(F)c1 476190755 AWUOGKWWFFZXBD-LJQANCHMSA-N 445.947 5.141 30 20 IKED CS(=O)(=O)c1cccc([C@@H](N[C@@H]2CCCCc3cc(C#N)ccc32)c2ccc(F)cc2)c1 481678433 PXGPRDPMLQVPBX-FTJBHMTQSA-N 448.563 5.248 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nccc3ccccc23)cc(OC)c1OCc1ccccc1 483238931 XOQLJBXPFMOBBB-JOCHJYFZSA-N 438.483 5.321 30 20 IKED Cc1ccc(-n2ncc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c2C(C)C)cc1 484836786 RRKUWHRVZVWDSG-UHFFFAOYSA-N 443.551 5.251 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc2c(c1)N(CC(F)F)CCS2 485567519 HNCZFTCLJGIDPU-UHFFFAOYSA-N 449.571 5.251 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(-c4ccco4)on3)s2)c(C(F)(F)F)c1 487323980 ONUYHFPGBMMDDF-UHFFFAOYSA-N 444.394 5.125 30 20 IKED CCOc1c(Br)cc(C(=O)N[C@H](CCCC#N)c2ccccc2)cc1OC 487401990 GPQOPVHVEUXURH-GOSISDBHSA-N 431.330 5.021 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)nnc1-c1ccc(C)cc1 489650943 UTNUJRRGEDXLCS-CYBMUJFWSA-N 448.379 5.261 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)o1 491017215 FMXVJGVUSRCGBA-GOSISDBHSA-N 447.560 5.085 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 494104013 BMVGJXLYACCSPK-XMMPIXPASA-N 442.519 5.205 30 20 IKED C[C@H](N[C@H](C)c1ccc(OC(F)F)cc1OC(F)F)c1nc(C(F)(F)F)cs1 494415465 YOYDLHDYKWZCBL-SFYZADRCSA-N 432.361 5.777 30 20 IKED Cc1cc(C2CCN(Cc3nnc(-c4cccc(C#N)c4)o3)CC2)ccc1Br 495260564 RPXVQRCIPLOEJI-UHFFFAOYSA-N 437.341 5.059 30 20 IKED C=CCn1c(Sc2nc(COC)nc3scc(-c4ccccc4)c23)nnc1C1CC1 498685581 CYCIXBACUZGGJZ-UHFFFAOYSA-N 435.578 5.311 30 20 IKED O=C(NC1CCN(CC(F)(F)F)CC1)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 501251413 DJVVPPURJDBWGV-UHFFFAOYSA-N 448.382 5.268 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 503221025 BDYZMOVCKVWULC-RBUKOAKNSA-N 430.577 6.755 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 505714346 POLTVEDSLCKNGU-UHFFFAOYSA-N 428.404 5.001 30 20 IKED Cc1sc2ncnc(SCC(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)c2c1C 505917682 TVETXILEFNBKKI-AWEZNQCLSA-N 437.377 5.088 30 20 IKED N#C[C@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)c1ccc(Cl)c(Cl)c1 505990124 DZIGSKKVMVVYIG-KRWDZBQOSA-N 436.751 5.694 30 20 IKED COc1ccc([C@@H]2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2)cc1 506657090 XERZVDQSXNGIGS-YKSBVNFPSA-N 445.950 6.025 30 20 IKED C=CCn1c(SC[C@@H](C#N)CCC#N)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 508533436 ZFOJAIHFNKYZQV-SJLPKXTDSA-N 439.654 5.879 30 20 IKED C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(c2nc3ccccc3s2)CC1 508823156 BVCILVVSWGQQIV-OAQYLSRUSA-N 443.576 5.134 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(c2nc3ccccc3[nH]2)CC1 508829879 WJQVYLLONKICTK-UHFFFAOYSA-N 448.958 5.053 30 20 IKED O=C(CSc1ccc(C(F)(F)F)cn1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 512009750 UTMSPNPCBXNWKL-ZDUSSCGKSA-N 426.357 5.142 30 20 IKED C=CCN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 514152492 VUCHKJDPRYBPQU-UHFFFAOYSA-N 431.420 5.153 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)cc2Cl)cc1 515715616 UMIHXKBVFLXEKB-LYBIEXDWSA-N 436.939 5.664 30 20 IKED CCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1OC 516270310 RLDYERFXCKPEJN-IBGZPJMESA-N 431.517 5.359 30 20 IKED COc1cccc(Oc2ccc(CNC(=O)Nc3ccccc3S[C@H](C)CC#N)cn2)c1 518260351 YROGYOXUXRWFNN-QGZVFWFLSA-N 448.548 5.598 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3occc3CSc3ccccc3)n2)cc1 518515504 UQODVDSDPJBSTO-HXUWFJFHSA-N 446.553 6.194 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 518660018 DEJDRVRHXQNORZ-SJLPKXTDSA-N 441.984 5.083 30 20 IKED N#CCCSc1ccccc1NCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 518663561 CEWKJDQDEBNSMX-JOCHJYFZSA-N 425.554 5.211 30 20 IKED N#CCCSc1ccccc1NCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 518663562 CEWKJDQDEBNSMX-QFIPXVFZSA-N 425.554 5.211 30 20 IKED Cc1ccc(C(=O)CCC(=O)CCC(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)s1 518848899 ISTATRNSWDNPTB-QGZVFWFLSA-N 437.348 5.057 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CSCc3cc(-c4cccs4)on3)cc2)c1 520915567 ZMTZWLJHPNJNHB-UHFFFAOYSA-N 447.541 5.939 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C1CCN(c2nc3ccccc3s2)CC1 520924095 IUYBGKNIKGGITI-MRXNPFEDSA-N 436.606 5.546 30 20 IKED C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 521733823 HOCDOFLBDZWGQA-GUYCJALGSA-N 447.482 5.558 30 20 IKED Cc1ccc(C2(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)CCOCC2)cc1 521951829 RUCYNLGRSKIVDV-UHFFFAOYSA-N 427.504 5.049 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCc4ccc(Br)cc43)c2)cc1 522303283 XOZVHPUOYIOMQY-UHFFFAOYSA-N 433.305 5.103 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 523492982 APLFUCUTWAOLIL-CQSZACIVSA-N 432.442 5.110 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@H]3CCC[C@H]3c3ccccc3)s2)cc1 523632057 VHQTVTJCLIECFY-OALUTQOASA-N 435.578 5.160 30 20 IKED CCN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)[C@H](C)Cc1ccc(OC)cc1 524487416 IDSSWEVECKQNPY-HXUWFJFHSA-N 428.532 5.239 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(Br)cc2cccnc12 534678199 PEOIDGRENIHEDO-CYBMUJFWSA-N 426.339 5.501 30 20 IKED C=CCN(C(=O)Cc1ccccc1SC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 537388387 FBPVYNCORKQLGW-UHFFFAOYSA-N 425.535 5.202 30 20 IKED CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)c(C)c1 537552908 NLNQUPZSSFFNKO-GOSISDBHSA-N 427.504 5.440 30 20 IKED COc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc4ccccc4[nH]3)c3ccccc3n2)cc1OC 541875553 GDSAUHTVOZGYRH-IBGZPJMESA-N 448.482 5.285 30 20 IKED N#Cc1ccc(Oc2ccc(-c3nc(-c4cccnc4OC4CCCC4)no3)cc2)nc1 545663436 DVRTYUHJGTZALV-UHFFFAOYSA-N 425.448 5.179 30 20 IKED N#Cc1ccc(Oc2ccc(-c3nc(Cc4coc(-c5cccs5)n4)no3)cc2)nc1 546304053 LFAXNQLCICXCIX-UHFFFAOYSA-N 427.445 5.103 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC[C@H](COCC)C1 549280662 QTBNLJCOHXFEPM-QFIPXVFZSA-N 446.595 5.353 30 20 IKED C=CC1CCN(c2nnc(CSc3ccccc3OC)n2Cc2cccs2)CC1 555439615 KMBASSCKRAVGQL-UHFFFAOYSA-N 426.611 5.091 30 20 IKED COc1cccc([C@H](CNc2ccc(C#N)c([N+](=O)[O-])c2)c2c[nH]c3ccccc23)c1OC 558592946 MDQXTZUHDABFAN-NRFANRHFSA-N 442.475 5.209 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2nc(CN3CCCCC3)cs2)cc1 559371819 QNVCDRARWUNDRF-UHFFFAOYSA-N 448.617 5.545 30 20 IKED N#Cc1ccc(N2CCC(c3nc(Cc4c[nH]c5ccc(Cl)cc45)no3)CC2)c(F)c1 565124682 AFMKIYIYVPUONE-UHFFFAOYSA-N 435.890 5.190 30 20 IKED COc1cc(C#N)ccc1NC(=O)c1ccccc1Sc1ccc(Br)cn1 571851127 WZDKAQUPVUHFFK-UHFFFAOYSA-N 440.322 5.128 30 20 IKED C[C@H]1CCC[C@@H](OCCCCCC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)C1 581267554 KOMIHGJBSUKDBT-SIKLNZKXSA-N 430.564 5.223 30 20 IKED CN1C(=O)c2cc(Br)ccc2N[C@H]1c1cccc(OCc2cccc(C#N)c2)c1 602755103 GFFXGRYBQZOYJQ-JOCHJYFZSA-N 448.320 5.096 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C(=O)N[C@H]2CCOc3ccccc32)C(C)C)n1 602755580 IUTBTIGWZYKCGS-PKOBYXMFSA-N 449.498 5.037 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 604077142 FIUNTXQFNBBSRF-UHFFFAOYSA-N 444.510 5.071 30 20 IKED Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1N1CCNC1=O 609164583 RHNNMYRXFNPZJC-NRFANRHFSA-N 444.922 5.086 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1 609297282 ASKKHHQQTNANKS-OAQYLSRUSA-N 432.451 5.300 30 20 IKED COc1ccccc1[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccccc1 609374231 KWDZKWIIISQNJU-AREMUKBSSA-N 438.483 5.258 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](c1ccccc1)N1CCc2ccccc21 609377829 OFSVABJMJBCNIJ-UQBPGWFLSA-N 427.573 5.681 30 20 IKED Cc1cc(C)n(-c2ccc(CCNC(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)n1 609398693 JPGRLVIFORGDKR-KRWDZBQOSA-N 433.581 5.105 30 20 IKED CCN(C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H](C)c1cc2ccccc2o1 609403243 GFHQLBOCOJWJPK-SJORKVTESA-N 435.549 5.233 30 20 IKED CN(Cc1ccc(Br)o1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609434578 ZYYDAHNYTSXEEI-UHFFFAOYSA-N 426.270 5.370 30 20 IKED Cc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c(-c2nc3ccccc3[nH]2)c1 609501719 AJISRWYFRQVMLJ-UHFFFAOYSA-N 448.482 5.834 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)c2ccccc2OCc2cccs2)CC1 609508779 VNHMBQTYJMQUKW-UHFFFAOYSA-N 432.545 5.319 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 609685100 QIPLXQYTDFKXHG-HKBQPEDESA-N 434.561 5.223 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCO[C@@H](c3ccccc3F)C2)c1 609731386 LDRVOXMUTWDCHH-HSZRJFAPSA-N 436.870 5.357 30 20 IKED N#CCCn1ccc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CCC3)n1 609788261 UVEHEHQVCUWJON-MSUUIHNZSA-N 439.544 5.536 30 20 IKED Cc1ccc(-c2c(C)sc3nc(CS[C@@H](C)c4ccc(C#N)cc4)nc(O)c23)cc1 609825191 KZMSEULLFNIQIM-HNNXBMFYSA-N 431.586 6.547 30 20 IKED CCc1ccc(-c2nc(CC(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)cs2)cc1 610053558 LUQLEYMFIPMXQB-UHFFFAOYSA-N 441.560 5.228 30 20 IKED COc1ccccc1[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccco1 610875547 MVRPGFYPXHULNH-DEOSSOPVSA-N 440.459 5.258 30 20 IKED CC[C@@H]1c2ccccc2CCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 614148979 HPTXSIUXSGQRAG-LJQANCHMSA-N 435.578 5.243 30 20 IKED C=CCn1c(CSc2ccccc2OC)nnc1N1CCS[C@@H](c2ccccc2)C1 669814685 DXIPOIGUSYWUTJ-OAQYLSRUSA-N 438.622 5.060 30 20 IKED O=C(Cc1cccc(OC(F)(F)F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 676633911 JLOGQCDKAVTXOR-QWRGUYRKSA-N 437.302 5.153 30 20 IKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)cc(-c3cccs3)nc21 679090391 QXCQEWGNPWXLGN-SFHVURJKSA-N 437.528 5.779 30 20 IKED O=C(c1cccc(F)c1Sc1ccccc1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 679659108 WPHUEWDULYIYPJ-ZIAGYGMSSA-N 437.380 5.790 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=S)NCc2cccc(C(F)(F)F)c2)cc1 726464254 KCLVPXFXPQQBRN-UHFFFAOYSA-N 431.405 5.016 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)CCC3)[n+]2ccc(CCC)cc2)c1 726573213 RDECQMFQLFPJKX-UHFFFAOYSA-O 439.604 5.720 30 20 IKED C=CCOc1ccc(C=Nn2c(S)nnc2-c2ccccc2Br)cc1Cl 727257175 VLTCZZNIIPGXKA-UHFFFAOYSA-N 449.761 5.097 30 20 IKED Cc1ccc(-c2nnc(SCC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)o2)c(C)c1 727268875 XNSOOTGLEYHRLI-GOSISDBHSA-N 446.557 5.446 30 20 IKED CC(C)CN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc2ccccc12 731304345 ORAVGWNZJNUOLN-JOCHJYFZSA-N 447.560 5.162 30 20 IKED N#C[C@@H]1C(CN(Cc2ccccc2F)c2ccccc2F)=CC(=O)n2c1nc1ccccc12 731842634 HMUYTOHFLYHVFD-LJQANCHMSA-N 440.453 5.209 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 732399195 XDAMJIGJHNUBKT-GOSISDBHSA-N 443.503 5.361 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2cc3c4ccccc4n(C)c3s2)ccc1OC 733232286 RAFSRCGWXMSHGP-MRXNPFEDSA-N 433.533 5.013 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C)ON=C(N)c1ccc(OCc2ccccc2)cc1 733304340 JSYZDVXFKVFMEQ-LJQANCHMSA-N 445.563 5.055 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(-c3ccccc3Cl)s2)cs1)C1CC1 734307428 YUZNNLAUJOTDBM-TWGQIWQCSA-N 428.966 5.936 30 20 IKED CCOc1cc(/C=C2\Cc3cc(F)ccc3C2=O)ccc1OCc1ccc(C(=O)OC)o1 734307824 SWPSVSLGUCTHPG-LICLKQGHSA-N 436.435 5.005 30 20 IKED C=CC[C@@H](NC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccncc1 734656154 BFJIMJMWYZRDHO-RUZDIDTESA-N 437.547 5.110 30 20 IKED CC1CCC(OC2CCN(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CC2)CC1 740058673 AGOIUSSYPGDZKO-UHFFFAOYSA-N 437.609 5.556 30 20 IKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccc(Cl)s3)o2)cc1C 741475773 CKVOXASHHVYRCM-UHFFFAOYSA-N 432.958 5.107 30 20 IKED COc1ccc(/C=C\C(=O)c2sc(/C=C/c3ccc(OC)c(C#N)c3)nc2C)cc1C#N 741848522 NWXSOAWDDYYMEV-USRDNGHPSA-N 441.512 5.279 30 20 IKED COc1cc(/C=C/C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2C)cc(OC)c1O 743055362 CIINJORGVZVWNJ-QPJJXVBHSA-N 433.291 5.106 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccn(-c3ccc(F)cc3)n2)cc1 743092719 BNNMWLJFSZRVSJ-RUZDIDTESA-N 439.494 5.031 30 20 IKED N#C[C@@H](C(=O)CCc1ccc(Br)cc1F)c1nc2cc(Cl)ccc2s1 745312686 CKRILBSNLDPZBD-ZDUSSCGKSA-N 437.721 5.660 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)n1 747194416 ZPHAZFZPGWBYPE-WBVHZDCISA-N 436.364 5.054 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(C3CCOCC3)CC2)c1=S 752808415 CZRYYIAXYJLHOJ-UHFFFAOYSA-N 433.021 5.017 30 20 IKED C[C@@H](Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 754888658 WIHGFXLJSJQCAN-UWVAXJGDSA-N 434.609 5.316 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cc1 759208991 LJKTTXNHDNEIDL-HOYKHHGWSA-N 439.515 5.414 30 20 IKED Fc1ccc(-c2nc(C=Nn3c(S)nnc3Cc3cccc4ccccc34)cs2)cc1 767032949 KRWDCJLWQIHITA-UHFFFAOYSA-N 445.548 5.456 30 20 IKED N#Cc1ccc(Oc2ccc(OC(=O)c3ccccc3COC3CCOCC3)cc2)cc1 768174797 DFIKAOXRFHGPPG-UHFFFAOYSA-N 429.472 5.265 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(CO)(Cc3ccccc3)CC2)cc1 770179616 QBZDDYXHBUVECB-AREMUKBSSA-N 439.559 5.191 30 20 IKED N#CCCn1cc(CNc2ccc(OCc3ccccn3)c(Cl)c2)c(-c2ccccc2)n1 770541929 JIAWNOBZAXVANH-UHFFFAOYSA-N 443.938 5.703 30 20 IKED N#CCN(C(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1)c1ccccc1 772087794 WKGMNNRRKHRDTQ-UHFFFAOYSA-N 442.700 5.460 30 20 IKED CN(C)C1CCN(c2ccc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cc2)CC1 774842254 CPXHGUSWEXGORY-UHFFFAOYSA-N 440.547 5.133 30 20 IKED N#CCc1ccccc1CC(=O)O[C@@H](c1cc(Br)ccc1F)C(F)(F)F 776995669 FZJLTSCXCQDZKH-KRWDZBQOSA-N 430.195 5.044 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 780512143 UHLGWVQFQVOIJH-SFHVURJKSA-N 426.476 5.267 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1 780748951 KRGLQQJYKWHDDV-OSPHWJPCSA-N 436.964 6.092 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(CC(F)(F)F)cc2)cc1 784836041 MRCBGIPYRMHLRT-NRFANRHFSA-N 437.421 5.024 30 20 IKED C=CCOc1c(Br)cc(CNc2cccc(NC(=O)OC)c2C)cc1OCC 797881639 GGLHDAPFZGAZHM-UHFFFAOYSA-N 449.345 5.511 30 20 IKED Cc1noc(C(F)(F)F)c1C(=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 798556478 BSAYXVSVYDTSMD-UHFFFAOYSA-N 440.315 5.001 30 20 IKED C[C@@H](OC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1C(F)(F)F 801899745 ZOKZUHLJVNMVPQ-MEBBXXQBSA-N 437.311 5.305 30 20 IKED N#Cc1ccccc1N=c1scc(-c2cnccn2)n1[C@@H]1CCO[C@H](c2ccccc2)C1 803182475 XSPCGZICJZIAJE-YKSBVNFPSA-N 439.544 5.203 30 20 IKED C[C@H](NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1nc2ccccc2s1 804379881 QMQVHHKXNVFMAI-HNNXBMFYSA-N 438.984 5.305 30 20 IKED C[C@H](Nc1nc(Cl)c(C#N)s1)c1ccc(CNc2nc(Cl)c(C#N)s2)cc1 804611085 GJOVUTKIFMKSEY-VIFPVBQESA-N 435.365 5.435 30 20 IKED CC1(C(=O)[C@@H](C#N)c2nccc3ccccc23)CCN(c2ccc(Cl)cc2C#N)CC1 805929740 OXNASWDUWCNTGO-NRFANRHFSA-N 428.923 5.243 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 806200520 GARPRVKEUOJSHG-LJQANCHMSA-N 426.303 5.676 30 20 IKED CCc1cc(Oc2cnc(-c3noc(-c4ccccc4OCC#N)n3)cn2)ccc1Cl 809443481 VSESSLZZFJCNRQ-UHFFFAOYSA-N 433.855 5.104 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H](N[C@@H]1CCc3ccc(C#N)cc31)CC(C)(C)O2 810258553 XJINRLWGLAVPJK-YADHBBJMSA-N 433.552 5.785 30 20 IKED CC(C)(C(=O)O[C@@H](C#N)Cc1ccc(F)cc1F)c1csc(-c2ccccc2F)n1 816013313 LDPZDWKQSYTMBS-OAHLLOKOSA-N 430.451 5.183 30 20 IKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)c1 837383673 OXCLGUCSUVTBGV-GCJKJVERSA-N 444.560 5.112 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1 915354142 WDMROQBJOCRLRD-QFIPXVFZSA-N 439.437 5.605 30 20 IKED COc1cc(C(=O)/C=C\c2c(C)nn(-c3ccc(Cl)cc3)c2Cl)cc(OC)c1OC 916137940 VXFZNTYXOQACMQ-KTKRTIGZSA-N 447.318 5.409 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CCc2ccccc2)C1=O)Nc1ccccc1F 916206185 XRBRAPZJLSVWAG-QFIPXVFZSA-N 447.535 5.029 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4ccc(C)cc4)n3)n2)cc1 916975349 YEPSIBFFAYENEM-FQEVSTJZSA-N 429.570 5.969 30 20 IKED CCCOc1cccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)c1 917544931 OWXOJGSBWYZACS-UHFFFAOYSA-N 437.352 5.124 30 20 IKED C[C@H](OC(=O)c1cc(F)c(F)c(F)c1F)c1nc(-c2cccc(C(F)(F)F)c2)no1 919221408 LPHKBSUJJFQIMH-ZETCQYMHSA-N 434.267 5.230 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)COC(c3ccccc3)c3ccccc3)n2)cc1 920140498 HMBWSOXMUTUHPK-QHCPKHFHSA-N 449.535 5.664 30 20 IKED N#CCc1cccc(NC(=O)CSCc2nc(O)c3c(-c4ccccc4)csc3n2)c1 1587602841 PCKOVDPSCZABIG-UHFFFAOYSA-N 446.557 5.002 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(Cl)ccc4c3OCO4)cc2)CCC1 1788989266 MIJBUEDVIVEBQB-HNNXBMFYSA-N 440.927 5.029 30 20 IKED C[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)c[nH]3)cc2)CCC1)c1ccc(Cl)cc1 1790143592 DIYRJRLIDIGUNW-MRXNPFEDSA-N 446.938 5.091 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(C)oc4cc(O)ccc34)CCC2)cc1 1791247887 LBLXIVDLANGGJH-INIZCTEOSA-N 432.520 5.407 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4cccnc4)cc3)CCC2)cc1 1791584024 KAOQRFJVHWJXOV-UHFFFAOYSA-N 437.543 5.300 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)C1 1792169767 YUOZPGBCFJOWEA-UHFFFAOYSA-N 443.547 5.059 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C2(C)CCCCC2)[C@H]1c1cccnc1 1802502156 WXUOZOVWEVJLOK-YADHBBJMSA-N 425.617 5.050 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CC2)C1 1804857700 SQBFFVSHYSPTRM-DHIUTWEWSA-N 440.603 5.153 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C)cc2C)[C@@H]1c1cccnc1 1810505338 RJYXSNMZFDFYKY-LADGPHEKSA-N 433.596 5.010 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3occc3c2)[nH]n1 1814442921 ARGQIVZYRSNDCA-HXUWFJFHSA-N 434.540 5.454 30 20 IKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1822403354 DIRMKIRDMYIGFM-HXUWFJFHSA-N 428.492 5.191 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3sccc3s2)CC1 1831372839 KNLCJGAPTPPZKJ-AEFFLSMTSA-N 430.639 5.408 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc3ccccc3c2)CC1 1832028997 QCVJLRMRMWLISH-HHHXNRCGSA-N 444.619 5.196 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)c2cccs2)CC1 1832143488 JCNWGNLLSISMJX-FPOVZHCZSA-N 430.658 5.464 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](CC(C)C)c2ccccc2)nnc1-c1ccc(F)cc1 10498105 MLTHHUQWQSEAJN-NRFANRHFSA-N 438.572 5.266 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)nnc1-c1cccc(C)c1 16862912 GYGOOQNLUAJDOA-OAHLLOKOSA-N 446.498 5.578 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)NCc2cccs2)nnc1-c1ccc(C(C)(C)C)cc1 16866229 CSLSGCMRYZOOSY-INIZCTEOSA-N 440.638 5.287 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)CSc3ccccc3Cl)s2)cc1 22379632 SUSYDNMFTDVHJC-UHFFFAOYSA-N 432.983 5.086 30 20 IKED Cc1ccc(N/C(S)=C(\C(=O)c2ccc(C)s2)[n+]2ccc3c(c2)CCCC3)c(C)c1 22729548 MJLIWEDJAKJGEI-UHFFFAOYSA-O 435.638 5.891 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)cc1)=C(/S)Nc1ccc(OC(F)F)cc1 22730278 QMPBZLWHUAGBPD-UHFFFAOYSA-O 441.523 5.497 30 20 IKED C[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)N1CCc2ccccc2C1 25939701 MIEUOTWLDRMLII-HXUWFJFHSA-N 441.600 5.027 30 20 IKED N#Cc1cccc(CNC(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1 60977925 SOTSDHVHHHRUCL-NRFANRHFSA-N 428.923 5.324 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[C@H](C)CC)nnc1-c1ccccc1F 195569460 SNZGTMHRYZHRMX-IAGOWNOFSA-N 438.572 5.903 30 20 IKED CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)c12 195592999 JEZMGHHRPSRGNX-UHFFFAOYSA-N 443.532 5.224 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1ccc(OCc2c(C)noc2C)cc1 301751159 SSYXRNMSTLONKU-UHFFFAOYSA-N 430.957 5.343 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 303189876 MEWKRCHVBXKLAC-VWLOTQADSA-N 439.559 5.296 30 20 IKED O=C(NC[C@H]1CCC(F)(F)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 431093120 HWCCLMATDIRORG-YQSVLCHSSA-N 447.410 5.660 30 20 IKED CC[C@H](C)Oc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cc1 437240923 OOLZIKAPOJGFTH-KRWDZBQOSA-N 429.476 5.105 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 438655148 XOHPWEXCCMBAMF-YADHBBJMSA-N 432.911 5.831 30 20 IKED C=CCN(C(=O)C[C@@H](C)c1cccc(OC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 439775697 RGJMNONMQGMHEC-MRXNPFEDSA-N 437.521 5.440 30 20 IKED CCCc1c(NC(=O)c2ccc(Cl)cc2C(F)(F)F)cnn1-c1cccc(C#N)c1 440090313 TUTOIGDSCOKVDP-UHFFFAOYSA-N 432.833 5.621 30 20 IKED C=CCC[C@H](NC(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(C(F)(F)F)cc1 441531241 CWPQPIKLQXRWCD-HBFSDRIKSA-N 428.520 5.067 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc3ccoc3c2)cc1Cl 443658169 UWWWGNDGTCEBEE-FQEVSTJZSA-N 429.863 5.319 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(c2cccc3cnccc23)C[C@@H]1C 446160000 CITAQLGHZDQRNI-OALUTQOASA-N 445.592 5.229 30 20 IKED C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 460811274 LENSGWUYUDLSID-UHFFFAOYSA-N 434.547 5.023 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCN1c2ccccc2CC[C@@H]1C 462038190 KWVGXOZFDFOEAK-IBGZPJMESA-N 426.520 5.224 30 20 IKED C[C@H](CC(F)(F)F)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 464465334 JADDLORDGFBGNX-QUNQUYFKSA-N 439.362 5.566 30 20 IKED Cc1ncc(NC(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)c(C2CC2)n1 466429863 FCCKIAGPWSEQQE-UHFFFAOYSA-N 447.564 5.253 30 20 IKED Cc1ccc(-n2[nH]c(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cc2=O)cc1 468434646 HYCDAEAPZIZJAC-OAQYLSRUSA-N 442.906 5.035 30 20 IKED O=C(CCCC(F)(F)F)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469760336 JIYDTGBODDRZDG-ZDUSSCGKSA-N 437.302 5.357 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCc1nnc(C2CCCC2)o1 471266846 IPESSCLQVBXXLR-UHFFFAOYSA-N 432.499 5.212 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCc1cccc(-c2ccccc2)c1 473356060 LDZFPBCQZZZQJS-IBGZPJMESA-N 443.572 5.045 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 474493377 IJXJZMLMMYVFML-NRFANRHFSA-N 433.487 5.245 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1 475557588 ZAVSNJNKUQNTKJ-UHFFFAOYSA-N 433.596 5.192 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCCCC[C@H]1c1noc(-c2cnn(C)c2)n1 475578445 OVFMIUNFLGBQLA-NRFANRHFSA-N 448.571 5.471 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)C[C@H](CC#N)c2ccccc2)c1C 476084245 LPPBQRSJTYLUBE-KRWDZBQOSA-N 427.335 5.822 30 20 IKED C[C@H](SCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1nc(-c2ccccc2)no1 476192208 CHWSAHTYXBCTAF-CVEARBPZSA-N 438.578 5.421 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CSc1nncn1-c1cccc(Cl)c1 476808993 VCUWMHLBLZETEW-UHFFFAOYSA-N 426.973 5.503 30 20 IKED Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)c2c(F)c(F)cc(F)c2F)n1 481178395 GGYABSKDRZCBCL-UHFFFAOYSA-N 431.311 5.317 30 20 IKED C=CCCC(=O)Nc1c(-c2ccc(Cl)cc2)ncn1Cc1ccc(OC)c(OC)c1 482262625 JKLTVYKBKAVDIZ-UHFFFAOYSA-N 425.916 5.174 30 20 IKED COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 482935032 XZKKLZZVIGIHQV-VWLOTQADSA-N 442.515 5.181 30 20 IKED Cc1ccc(-c2ccc(C)c(NC(=O)C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)c2)o1 484978815 VJGIIMLHWBLRLM-UHFFFAOYSA-N 427.382 5.031 30 20 IKED Cc1ccc(-c2cnc(CCC(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)o2)cc1 487384623 BMZFYLORQCLCPY-UHFFFAOYSA-N 428.517 5.140 30 20 IKED Cc1ccccc1[C@H](CC(C)C)NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 487831134 BPOLPXPUWVWZSD-QHCPKHFHSA-N 445.523 5.198 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)N[C@@H](c3ccc(F)cc3)C(C)C)o2)cc1 489788643 HQONDTVTNQEFBJ-OAQYLSRUSA-N 441.528 5.046 30 20 IKED CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1 503467256 UUOBVEIIQKMMJQ-UHFFFAOYSA-N 436.943 5.013 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc(C)c1OCc1cccnc1 503576363 OTLPYFUIBRKYCB-LJQANCHMSA-N 425.410 5.181 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3cc(-c4ccccc4)no3)c2)cc1 505670782 FWFQRRGIBOCTDE-UHFFFAOYSA-N 438.487 5.308 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCc4c(Br)cccc4C3)cc2)cc1 506637300 SLVYBIABCXTZBO-UHFFFAOYSA-N 448.320 5.703 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)Nc1ncc(C(F)(F)F)[nH]1 506908877 IVPJNUVLQMOKPY-UHFFFAOYSA-N 449.458 5.019 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(OC)c1 510011553 VMQPEUMXEVKUTC-JOCHJYFZSA-N 449.938 5.677 30 20 IKED N#Cc1c(F)cccc1-n1ccc(NCc2coc(-c3ccc(C(F)(F)F)cc3)n2)n1 510095500 MZQMEHWAABJMAX-UHFFFAOYSA-N 427.361 5.169 30 20 IKED N#C[C@@H](NC(=O)c1cccc(COc2cccc(F)c2)c1)c1cccc(C(F)(F)F)c1 511421523 GLWYWNQDJDCTTH-OAQYLSRUSA-N 428.385 5.418 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1OCC 511804289 CNKHURXGXFJUQP-QGZVFWFLSA-N 434.492 5.019 30 20 IKED Cc1cccc(CN(Cc2ccco2)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c1 513118676 OBKADMGSIIRIAR-UHFFFAOYSA-N 429.455 5.019 30 20 IKED N#C[C@H](C(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1nc(O)c2c3c(sc2n1)CCCC3 513692732 SXYKZRSSJDWYEH-QGZVFWFLSA-N 442.544 5.126 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccccc2Br)cc1 513960915 RFKHAERZQHCNNB-UHFFFAOYSA-N 438.300 5.694 30 20 IKED Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 515130483 XWVNWCPHJGIXRQ-LJQANCHMSA-N 447.947 6.202 30 20 IKED N#CCCCOc1cccc(NC(=O)c2oc3ccccc3c2COc2ccccc2)c1 515621358 DCKQSYPJEXEVIU-UHFFFAOYSA-N 426.472 5.947 30 20 IKED CCC(CC)(Cc1nc2ccccc2s1)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 517081157 OVDYQESKTCYFJJ-UHFFFAOYSA-N 447.604 5.587 30 20 IKED CC(=O)N[C@H](CC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N)c1cccs1 517808122 FOTQQRXPPMKAMM-HXUWFJFHSA-N 437.952 5.074 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NC[C@H]3CCCO[C@@H]3c3ccccc3)c2)cc1 520601585 YXQRXCGCTJPVHO-PXDATVDWSA-N 427.504 5.640 30 20 IKED Cc1c(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)sc2nc(C(F)(F)F)ccc12 521352677 GZMKDPQRFZNKOS-ZDUSSCGKSA-N 444.265 5.925 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 521428187 JPBUYEHBHOGTAT-UHFFFAOYSA-N 427.508 5.645 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1(c2ccc(Br)cc2)CCC1 521812200 KBDIKHAPQKDXPQ-HNNXBMFYSA-N 444.398 6.044 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCCCOc3cccc(C#N)c3)cc2)c1 521957301 AIWOJFWDKCKCCT-UHFFFAOYSA-N 425.488 5.197 30 20 IKED Cc1cc(C(=O)Nc2ccn(CCC#N)n2)ccc1N[C@H](C)c1cc(Cl)ccc1Cl 524973617 GURTVOSYJSFDIF-OAHLLOKOSA-N 442.350 5.837 30 20 IKED CC(C)(C)OC(=O)Cc1cccc(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1 525736303 IMOZNXCSENHZSC-UHFFFAOYSA-N 448.548 5.134 30 20 IKED C=CCC[C@H](NC(=O)N1CCC([C@@H](O)C(F)(F)F)CC1)c1ccc(C(F)(F)F)cc1 533547088 GQCORDKRSCCKKG-DLBZAZTESA-N 438.412 5.058 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCCc3cnc(C4CC4)nc3)cc2Cl)cc1 534478661 YMJNCDMQOZKXLF-UHFFFAOYSA-N 433.899 5.036 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1csc(-c2ccc(C)n2C)n1 535372949 XJNRHMXZUSOFPS-UHFFFAOYSA-N 429.505 5.077 30 20 IKED C[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(-c2ccncc2)cc1 537138338 KPPOMEFRAFVWQY-MOPGFXCFSA-N 430.577 5.432 30 20 IKED C=CCn1c(SCC(=O)Nc2cccc(SC)c2C)nnc1-c1ccc(Cl)cc1 540438561 NZMHYJWXZMDDEJ-UHFFFAOYSA-N 445.013 5.546 30 20 IKED C=CCN(C(=O)C1(c2cncc(Br)c2)CC1)c1nc(-c2ccccc2)cs1 540602587 BQQMKWHISWFIOR-UHFFFAOYSA-N 440.366 5.218 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)Nc1ncccc1OCCCC#N 541961327 VPJHKXRWJTUYOX-UHFFFAOYSA-N 431.279 5.287 30 20 IKED Cc1ccc([C@H]2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)cc1 542364339 JGUFFYVXPUDZNO-QHCPKHFHSA-N 425.532 5.662 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 549200274 ONHDTEUGIMOBCI-UHFFFAOYSA-N 447.966 5.150 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(COc2ccccc2)c1 553320245 WMAGSFOGNDMCMM-IBGZPJMESA-N 431.561 5.982 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(c2ncc(C)s2)CC1 555241492 OZGZPHKDRZBPGH-UHFFFAOYSA-N 430.581 5.218 30 20 IKED COc1cc(CNC(=O)N(C)[C@H](C)c2ccc(-c3ccccc3OC)cc2)ccc1C#N 562250253 JNXKTEUDNKHDPT-GOSISDBHSA-N 429.520 5.145 30 20 IKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(C)CCOCc1ccc(C#N)cc1 570244817 QEOWJLBYMZCDSN-UHFFFAOYSA-N 444.318 5.117 30 20 IKED N#Cc1ccc(N2CCC(NCC3(c4ccc(Cl)cc4Cl)CCOCC3)CC2)cc1 572993389 CALJFCYHAHPCNK-UHFFFAOYSA-N 444.406 5.172 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)c(F)c1 573946704 OZVDANAGXGAPME-UHFFFAOYSA-N 441.812 5.445 30 20 IKED Cc1cc(Br)c(C(=O)N[C@@H](C#N)c2cccc(Br)c2)cc1Cl 574863689 BPLUVXFXGAYUKG-HNNXBMFYSA-N 442.538 5.168 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc2c(F)cc(Br)cc2[nH]1 577642534 KOENSOYKZMJJNR-UHFFFAOYSA-N 433.325 5.065 30 20 IKED N#CCCC[C@H](NC(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1ccccc1 590068629 IOVSKFYOWUCTLF-FPOVZHCZSA-N 430.474 5.018 30 20 IKED C=C(C)CN1CCC(NC(=O)N(CC)Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1 592302589 YJXACGWMQOMJJX-UHFFFAOYSA-N 449.517 5.537 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 603519943 UMLJNSJPSNLRIO-UHFFFAOYSA-N 443.494 5.682 30 20 IKED C[C@H]1C[C@H]1c1ccc(CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C2CC2)o1 603648258 DUFJMVPEZHBFQK-YCRPNKLZSA-N 432.549 5.518 30 20 IKED CC(C)C(=O)Nc1nc(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cs1 603751440 XGRODOMKMDGKPK-ZDUSSCGKSA-N 444.626 5.003 30 20 IKED COc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(OC)c1OC 603759175 WKMQPZMHWJFKSV-IBGZPJMESA-N 436.895 5.274 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cc(-c4cccc(F)c4)no3)c2)cc1 603814626 UJEFDEIRFFAFLK-UHFFFAOYSA-N 427.435 5.378 30 20 IKED Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)CC3 603831278 KTGLKGVBVPDGOQ-UHFFFAOYSA-N 449.514 5.191 30 20 IKED CNc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1[N+](=O)[O-] 603838293 ABMWVKOJITVSEX-ZDUSSCGKSA-N 447.303 5.557 30 20 IKED N#Cc1cccc(COc2cccc([C@H]3Nc4ccccc4C(=O)N3Cc3ccco3)c2)c1 603937913 CYKJPUDBQDAXMN-SANMLTNESA-N 435.483 5.497 30 20 IKED Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)Nc1sc(-c2ccccc2)cc1C#N 603968609 GFIBNDKPONUKBX-UHFFFAOYSA-N 429.549 5.065 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 604458376 DRFFVPSFYDDPRD-INIZCTEOSA-N 440.330 5.256 30 20 IKED COc1ccc(C2(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)CCCC2)cc1 608876858 XVGPYBZWJPTFIH-UHFFFAOYSA-N 427.504 5.513 30 20 IKED C=CCOc1cccc(NC(=O)C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)c1 608923980 SERBVGRARFMCSY-LJQANCHMSA-N 434.458 5.112 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3c(-c4cccs4)nc4ccccn34)o2)cc1 609061363 PLRYVAKOJPUXHG-UHFFFAOYSA-N 440.484 5.359 30 20 IKED CCOc1cccc([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 609078391 NMFAPNXIEHHPHP-IBGZPJMESA-N 429.520 5.727 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1csc(-c2cccs2)n1 609378401 KFLUXBFUGIYUQT-UHFFFAOYSA-N 439.509 6.148 30 20 IKED Cc1ccccc1CN(Cc1ccccc1)C(=O)Nc1ccccc1SC[C@H](C)C#N 609398840 WEMMBNJQLOXOPM-HXUWFJFHSA-N 429.589 6.481 30 20 IKED C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 609422013 BJGMYBAMZVUWOI-NRFANRHFSA-N 439.559 6.164 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC 609434279 OQYUFIAVGJFWNQ-QGZVFWFLSA-N 431.492 5.641 30 20 IKED CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1 609435702 HBFWCJZHJSMHPY-QRWLVFNGSA-N 429.973 5.186 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)NC[C@@H]3CCN(c4ccc(Cl)cc4)C3)c2)c1 609661050 LOAPMHHDIFGTAS-NRFANRHFSA-N 445.950 5.047 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](CO)c2c(F)cccc2F)cc1Cl 609682368 NWVMZMQAYWTLND-LAUBAEHRSA-N 441.865 5.129 30 20 IKED CN(Cc1ccccc1)[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 610323988 LELFEEQLSWQBKL-QHCPKHFHSA-N 426.520 5.089 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)N[C@@H](C)c2cccc(C#N)c2)c1C 610325108 HYYWZTKFOVSQPS-AWEZNQCLSA-N 428.323 5.550 30 20 IKED CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 610987288 QFHJWUYPNSTHRY-DQEYMECFSA-N 447.579 5.190 30 20 IKED C[C@]1(C#N)CCCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)C1 612295774 UBNHJEPELDVZMW-OAQYLSRUSA-N 430.430 5.115 30 20 IKED C=CCOc1c(Cl)cc([C@H]2Nc3ccccc3C(=O)N2Cc2cccnc2)cc1OC 639412303 JEBXYAGWIXCUGJ-QHCPKHFHSA-N 435.911 5.075 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2c(F)cccc2F)n1)c1nc2cc(C(F)(F)F)ccc2s1 674299129 BOQSZPZNSKNYDN-LLVKDONJSA-N 448.376 5.269 30 20 IKED O=C(Nc1ccc(O)cc1F)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 681337463 IUSWCRMCNVCEBZ-UHFFFAOYSA-N 433.283 5.007 30 20 IKED C=CCOc1ccc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)cc1Cl 727254475 UAEQVONHRXOFSJ-UHFFFAOYSA-N 435.936 5.534 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)s2)cc1 727974423 JTAHEDBUFPOCSB-IZZDOVSWSA-N 425.506 5.049 30 20 IKED C[C@H](Sc1nnc(-c2ccccc2)s1)C(=O)Nc1sc2c(c1C#N)CCCCC2 729940161 MKZTZVLTBOISHB-ZDUSSCGKSA-N 440.619 5.526 30 20 IKED C[C@H](C#N)CSc1ccccc1NS(=O)(=O)/C=C/c1ccc(Br)cc1 730997863 XAGJSAHCRIYTAW-PLSXKVAHSA-N 437.384 5.113 30 20 IKED COc1ccc(-n2c(C)cc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)c2C)cc1 734081134 DWMJEEZQEYCPLT-NRFANRHFSA-N 428.517 5.111 30 20 IKED C[C@@H](OC(=O)c1cccc(COc2ccccc2C#N)c1)c1nnc(-c2cccs2)o1 734200723 BTELUVBWAAGXEK-OAHLLOKOSA-N 431.473 5.167 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cccc(Cl)c2OC(C)C)ccc1OC 735753692 YGVFFEBSJULGTB-MRXNPFEDSA-N 431.920 5.138 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 743228385 KPIDQYUGYQJEMT-SFHVURJKSA-N 434.540 5.364 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)cc1 743294623 QUAGRAQAGKRYMF-KCWPFWIISA-N 438.575 5.376 30 20 IKED C[C@H](Nc1ccc(OCc2ccccn2)c(Cl)c1)C(=O)N(CCC#N)c1ccccc1 743472768 JIYXRPPGEOTOOL-SFHVURJKSA-N 434.927 5.061 30 20 IKED C/C(=C/C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1cccc(C(F)(F)F)c1 744060990 DNVCSUXRCORLNM-SZJVNEJHSA-N 437.446 5.980 30 20 IKED COc1cc(C=NN=C(C)c2cnccn2)ccc1OCc1ccc(Cl)cc1Cl 745204182 WKSSMYOJMXLBLD-UHFFFAOYSA-N 429.307 5.214 30 20 IKED COc1ccc(-c2nn(CN(CCC#N)C(C)C)c(=S)n2C2CCCCC2)cc1OC 745437769 MJCIRFWRLCXZRD-UHFFFAOYSA-N 443.617 5.185 30 20 IKED C=CC[C@@H](NC(=O)N[C@@H](c1cccc(SC)c1)c1ccc(F)c(F)c1)c1ccncc1 745825026 BNMCGLVCDXTTRK-PKTZIBPZSA-N 439.531 5.788 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3c4ccccc4cc4ccccc34)CC2)c1 746519224 RSAFVQKPKNBGCB-UHFFFAOYSA-N 433.511 5.356 30 20 IKED Oc1ccc2ccccc2c1/C=N/C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 749748847 QROAPVHFNXRRPK-SQEMJAKJSA-N 428.454 5.057 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1C#N 752299663 RDJNILYVWYMUGU-GOSISDBHSA-N 435.509 5.105 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N[C@H]3CCO[C@H](c4ccc(F)cc4)C3)c2)s1 754210121 QHFOVSARNFMBMW-UNMCSNQZSA-N 435.524 5.145 30 20 IKED CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 755774999 DWVFLLUIZRVLAZ-CLJLJLNGSA-N 427.548 5.393 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C 756489570 PXTWDMOQHBJLOT-LMMKCTJWSA-N 446.617 5.380 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccnc1Br 758221488 PRBXBQXSCMCDJA-UHFFFAOYSA-N 430.249 5.121 30 20 IKED CCCCOc1c(Cl)cc(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc1OCC 762292987 DCJHRQPEEZIYDL-QFIPXVFZSA-N 442.943 5.003 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(CC[C@H](O)c4ccccc4)cc3)cc2)nc1 763003336 QTENWOFBQJRSFT-SANMLTNESA-N 449.510 5.664 30 20 IKED CCc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)cc1)CCC2 764053105 OAQAHXMTBFFLCJ-UNMCSNQZSA-N 430.577 5.902 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(Cl)c(N)c(Cl)c1 764124801 UXAFQQFHBVTNNE-UHFFFAOYSA-N 426.303 5.587 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCCc1ccccc1Br 766257808 PPMLWPBSKKBWAK-IBGZPJMESA-N 441.369 5.244 30 20 IKED C[C@@H](OC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccccc1NC(=O)c1ccccc1 766333996 LGXCGOIYBQEWGW-GOSISDBHSA-N 428.488 5.272 30 20 IKED CC(C)[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1ccc(C(F)(F)F)cc1 775537671 CEDRVRXNFLPAAJ-GCJKJVERSA-N 438.453 5.229 30 20 IKED CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H](NC3(c4cccc(C#N)c4)CC3)c3ccccc3O2)C1 777251151 GXURPRFSCHBOAH-BKMJKUGQSA-N 445.563 5.040 30 20 IKED CC(C)(C)OC(=O)N[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)C1CC1 777297728 UNBREAVQSBSAQW-IAGOWNOFSA-N 445.972 5.333 30 20 IKED CC(C)(C)n1cc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c(Br)n1 779855902 CZFUHDFIBBVNIL-UHFFFAOYSA-N 429.343 5.253 30 20 IKED Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)Nc2ccccc2O[C@@H](C)C#N)c1 780673299 QJXWOWILNRHEMB-RDPSFJRHSA-N 429.520 5.054 30 20 IKED CC(=O)N(c1nc(/C=C2\CCOc3cc(F)ccc3C2=O)cs1)c1ccc(F)cc1F 781555674 NPFOWIMLZFYUMY-MDWZMJQESA-N 444.434 5.294 30 20 IKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCC#N)cc1 784126718 FKOKOWWFJODFDP-QFIPXVFZSA-N 448.592 5.130 30 20 IKED COc1cccc(C(=O)/C(=C\c2cccc(OCc3cccc(C#N)c3)c2)c2ncc[nH]2)c1 787170507 WWMPJSCJNIHUJO-MFKUBSTISA-N 435.483 5.292 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N(CC[C@H]3C[C@H]4CC[C@H]3C4)C3CC3)ccc21 787483649 SPHIEHDHQZFNRZ-UFYCRDLUSA-N 434.584 5.092 30 20 IKED Sc1nnc(CSc2ccccc2)n1N=Cc1cnc(-c2ccc(Cl)cc2)s1 789037541 NSZGJUVXFGALQH-UHFFFAOYSA-N 444.010 5.518 30 20 IKED N#Cc1c(NC(=O)c2cnc(Br)c(Cl)c2)sc2c1-c1ccccc1CC2 790292402 ZDRPJIXAYBYOHC-UHFFFAOYSA-N 444.741 5.449 30 20 IKED Cc1nn(C)c(CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1Br 790916170 FNMZEBJGCWTXBA-UHFFFAOYSA-N 445.748 5.207 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nccc2ccccc12)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 792098246 BTYMVROHYLPKSQ-MTNREXPMSA-N 429.520 5.313 30 20 IKED CN(C)C(=O)c1ccc(C(=O)/C=C\c2cc(C(F)(F)F)ccc2Br)cc1 792924131 BFZJOHRVPMNLCX-YFHOEESVSA-N 426.232 5.066 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N[C@@](C)(C#N)CCc3ccccc3)ccc21 793475943 TZKILWNVRPILNW-AREMUKBSSA-N 433.552 5.019 30 20 IKED O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1cc(C(F)(F)F)cnc1Cl 794112519 WDBLBLRWTMFKHO-UHFFFAOYSA-N 434.670 5.626 30 20 IKED CC(C)(CC(=O)c1ccccc1)CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 799602044 FJUXDRZEUKWMMW-INIZCTEOSA-N 431.319 5.330 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3ccc(Br)c([N+](=O)[O-])c3)o2)cc1 800836845 YZOADKZRBURURP-UHFFFAOYSA-N 448.298 5.264 30 20 IKED CC(C)(C(=O)[C@@H](C#N)c1ccc2ccccc2n1)c1csc(-c2c(F)cccc2Cl)n1 810521391 NLQGHZNNZRXNBL-HNNXBMFYSA-N 449.938 6.305 30 20 IKED Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)[C@@H](C#N)c2cnc3ccccc3n2)cs1 810716633 KDSGFPPIPHHYGQ-KRWDZBQOSA-N 430.508 5.355 30 20 IKED Cc1nc(-c2ccccc2F)sc1[C@@H](C)OC(=O)c1cnc(C(F)(F)F)c(C#N)c1 815952870 XLDXPKKCDKVQHC-LLVKDONJSA-N 435.402 5.461 30 20 IKED CCOC(=O)c1ccc(C#N)c(SCC(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)n1 818135610 RNZHWXIBLZSCCI-KRWDZBQOSA-N 447.560 5.133 30 20 IKED C=CCc1ccc(OC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c(OC)c1 875121493 ZBCSQARNYDWSOC-JOCHJYFZSA-N 449.934 5.544 30 20 IKED C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915102260 USFVVVDYPVOSOU-AUUYWEPGSA-N 433.920 5.155 30 20 IKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 915304112 RITRWMPJFUPPKI-UHFFFAOYSA-N 441.495 5.193 30 20 IKED CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cccc(OC)c1 916205798 LWLQMUZJRWJGMI-IBGZPJMESA-N 445.972 5.027 30 20 IKED Cc1nc(SCC(=O)OCc2ncc(-c3cccc(Cl)c3)o2)c(C#N)c(C)c1C 916538057 SKVGTCPTUPQIQL-UHFFFAOYSA-N 427.913 5.022 30 20 IKED CSCc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)oc2ccccc12 916884718 ZKRBVMFXQQHNFS-HNNXBMFYSA-N 446.500 5.572 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 916913023 CSKWZMQHCGKXDG-OAQYLSRUSA-N 445.544 5.304 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1sc2cc(Cl)ccc2c1Cl 916917479 HEAPQFAPLOSJMB-MRXNPFEDSA-N 439.323 6.322 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3cccc(Cl)c3)n2)cc1Cl 916938648 CAOAVMWYHYJMDY-AWEZNQCLSA-N 446.315 5.087 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3cccc(Cl)c3Cl)n2)cc1 916975000 UQNRGQJQWFJMBY-ZFWWWQNUSA-N 431.344 6.069 30 20 IKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccncc2)n(-c2ccccc2)c1=S 917458061 QTVCAJSHQOBOSW-UHFFFAOYSA-N 440.576 5.207 30 20 IKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccsc3)C2=O)cc1 917673954 KHCUFJOIYTVFLH-HXUWFJFHSA-N 435.574 5.217 30 20 IKED CCCCCC[C@H](C)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 918240036 YNYFPXQAWSYSQZ-LAUBAEHRSA-N 425.960 5.409 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3c(F)cccc3Cl)CCC2)cc1 1786679424 FIPRIKGVFURENT-UHFFFAOYSA-N 432.948 5.146 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C3(c4ccccc4)CCC3)CCC2)cc1 1790569977 ORNFTVCZAARWNG-HXUWFJFHSA-N 447.579 5.043 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccsc4[nH]3)CCC2)cc1 1791300480 SHAQISCXHSPJAG-UHFFFAOYSA-N 429.492 5.189 30 20 IKED Cc1ccc(CSCCC(=O)Nc2ccc(C3(NC(=O)[C@H](C)S)CCC3)cc2)cc1 1791501778 BHXPKNRFYCBCCH-SFHVURJKSA-N 442.650 5.071 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(Cl)ccnc2c1 1800880943 FNZIANDSCOIEKB-REPLKXPHSA-N 439.987 5.132 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(CCC)cc2)[C@H]1c1cccnc1 1812029353 IMFGYRWPQQGLHQ-JWQCQUIFSA-N 447.623 5.346 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccsc3[nH]2)[nH]n1 1814828609 QOKCHWBYFHIWMG-IBGZPJMESA-N 437.569 5.027 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ccncc23)n[nH]1 1821416698 OJIODGVZPCXVMB-AUSIDOKSSA-N 443.551 5.032 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc(Cl)s2)CC1 1829069349 WZMAEMBYGGQXHB-KRWDZBQOSA-N 438.037 5.022 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)cccc2Cl)CC1 1832030060 FFTFLTNVDYCREH-JOCHJYFZSA-N 429.004 5.075 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccccc2F)CC1 1832393342 NGMAXSVUCUGIHD-ZCYQVOJMSA-N 440.603 5.146 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)CC1 1832800780 YKRMESFNVKJUMD-VMXMFDLUSA-N 442.566 5.187 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cc3c(ccc4ncccc43)s2)C1 1844639477 FCBCIPSSLLIVOQ-SFHVURJKSA-N 445.588 5.035 30 20 IKED C=CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccccc1OC 9594511 KLMAUJOKIUCREE-UHFFFAOYSA-N 441.556 5.782 30 20 IKED C=CCn1c(SCc2ccc(C(=O)Nc3ccccc3)cc2)nc2sccc2c1=O 11382552 RBOJDYUQHSXDKM-UHFFFAOYSA-N 433.558 5.189 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCc2ccc(C(=O)Nc3ccccc3)cc2)n1 11396637 QNFLDVBYWOHJGL-UHFFFAOYSA-N 427.451 5.825 30 20 IKED C=CCn1c(SCc2csc(-c3ccsc3)n2)nc2cc(Cl)ccc2c1=O 15350863 XXUDKEXZOLHXJV-UHFFFAOYSA-N 431.995 5.713 30 20 IKED C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N(CCC#N)c1ccccc1 22248602 ZXXLSGBXJPVFIJ-AWEZNQCLSA-N 430.455 5.076 30 20 IKED N#CCCCOc1cccc(/C=C(/Cl)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 110425271 JUWFQCUBLDBUPQ-GHRIWEEISA-N 425.941 5.283 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)Cc1csc(-c2cccnc2)n1 216876406 YHGCAWQNWQLOLV-UHFFFAOYSA-N 444.947 5.506 30 20 IKED N#C[C@H](NC(=O)c1ccc(Br)cc1F)c1ccc(OCc2ccccc2)cc1 303159107 HJMXAQVSJNPIHA-NRFANRHFSA-N 439.284 5.162 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCSC[C@H]1c1ccc(Cl)cc1 303684311 STZTUCYBKDOZKF-JXFKEZNVSA-N 446.041 5.320 30 20 IKED Cc1cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)ccc1NC(=O)CC(C)C 304063499 SCXGPBGMSLWOGJ-UHFFFAOYSA-N 442.519 5.599 30 20 IKED C[C@H](NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc(OC(F)F)cc1OC(F)F 437103118 YQUBNFVAGWZPNY-WVQJBOLRSA-N 433.364 5.024 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CCc2nnc(-c3ccccc3)o2)cc1F 437467137 MKKGUBVSUXGHFN-UHFFFAOYSA-N 428.423 5.111 30 20 IKED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccccc1Sc1ncnc2sc(C)c(C)c12 438461122 DMWHQUSOCXUSTL-UZLBHIALSA-N 439.606 5.170 30 20 IKED N#CCCn1cc(C(=O)CN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c2ccccc21 441056658 CFVDWPIMMIBSMP-OAHLLOKOSA-N 446.498 5.093 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444746733 ZCWDRFDTUUPZAR-INIZCTEOSA-N 449.782 5.452 30 20 IKED COCCc1cc(O)ccc1NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 444846122 GXBLZEKIOPNZPX-NRFANRHFSA-N 435.911 5.534 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)Nc3cc(C#N)ccc3C)C2)n1 446123010 QOXFAIZTHLVJLN-GOSISDBHSA-N 432.549 5.410 30 20 IKED N#C[C@H](C(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)c1cc(C(F)(F)F)ccn1 464467516 KMWSCFCSINWMSK-FQEVSTJZSA-N 446.432 5.502 30 20 IKED C=C(C)C[C@H](C)C(=O)N1CCC(CCCC2CCN(C(=O)[C@@H](C)CC(=C)C)CC2)CC1 467788805 KRSQHENHTVVZGL-GOTSBHOMSA-N 430.677 5.839 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)o1 474732650 VNUYGQDYFTZDQS-UHFFFAOYSA-N 448.400 6.067 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCc1cn2cc(Br)cc(C)c2n1 475551380 TXEDCZRHZHNTAN-UHFFFAOYSA-N 441.373 5.579 30 20 IKED Cc1ccc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc1NC(=O)c1ccccc1 477277316 CRLLARALDOMHKV-UHFFFAOYSA-N 436.433 5.048 30 20 IKED CCC(CC)[C@@H]1C[C@@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CCO1 477529542 JSYGEFHCIKPTSJ-DHLKQENFSA-N 435.568 5.551 30 20 IKED CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)N1CCC(F)(C#N)CC1 477799349 WWGWYBJBXCHFGD-UHFFFAOYSA-N 435.908 5.105 30 20 IKED Cc1ncsc1CN(C)C(=O)c1sc(-c2ccc(OCC(C)C)c(C#N)c2)nc1C 479868211 SULWWUWYNBGCHL-UHFFFAOYSA-N 440.594 5.062 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCc1csc(-c2ccsc2)n1 481401129 KJGISHFDNHSKKH-UHFFFAOYSA-N 426.592 5.520 30 20 IKED C=C(C)[C@H](NCc1ccnc(-c2ccc(Br)cc2)n1)c1ccc(F)c(F)c1 481596402 QYHDLJYTEUVEFE-FQEVSTJZSA-N 430.296 5.591 30 20 IKED O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)N(Cc1ccccc1)CC(F)F 482402852 JWBLZHMVZIBZBW-MRXNPFEDSA-N 438.343 5.368 30 20 IKED N#C[C@H](C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1cnc2ccccc2n1 483236421 YHVLHDLJPCJMAQ-FQEVSTJZSA-N 435.512 5.060 30 20 IKED COCC1(C#N)CCN(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 484399298 DOVKTUITVHVSPI-HXUWFJFHSA-N 432.351 5.045 30 20 IKED Cc1c([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)oc2ccccc12 484419788 HHQMRXFBTSITMD-QGZVFWFLSA-N 439.471 5.221 30 20 IKED N#CCCC[C@H](NC(=O)c1oc2ccccc2c1CSc1ncccn1)c1ccccc1 487540417 JJANAACERNKNSX-NRFANRHFSA-N 442.544 5.680 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)o2)cc1 489817351 TWGYLSPKCKKXIE-UHFFFAOYSA-N 436.320 5.339 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)NCCCC(F)(F)F)s2)c(C(F)(F)F)c1 496316410 VWSOILRTXUCPRZ-UHFFFAOYSA-N 436.381 5.088 30 20 IKED C=CCc1ccc(OCC(=O)N(CC)[C@H](c2ccc(C)cc2)c2cccnc2)c(OC)c1 496534915 LLEGLWWSGSCLLF-HHHXNRCGSA-N 430.548 5.144 30 20 IKED Cc1c(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cccc1C(=O)Nc1ccccc1 498928638 KKPOMTHNHGHJOY-UHFFFAOYSA-N 440.547 5.809 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)c2ccc(Br)cc2)cc1 499505436 YIRDMZTYHUIPKW-INIZCTEOSA-N 427.342 5.006 30 20 IKED CCCn1nccc1C1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 502226083 LSIXCZJGVYEYAN-UHFFFAOYSA-N 429.524 5.369 30 20 IKED C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(OCC(F)(F)F)cc1 502230664 BYSUHBIBWFCFTL-HNNXBMFYSA-N 444.409 5.162 30 20 IKED N#Cc1cccc(COc2cccc(CN3CCC[C@H](c4ncc5n4CCCC5)C3)c2)c1 502324106 AOELEOTUMGWILT-DEOSSOPVSA-N 426.564 5.050 30 20 IKED CC(C)OCc1cccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 502465889 DZKYNGNIYXFSFT-UHFFFAOYSA-N 433.483 5.845 30 20 IKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(CCC#N)Cc3ccccn3)cc12 505219109 JZTPETJUTVUDEZ-UHFFFAOYSA-N 449.967 5.059 30 20 IKED Cc1nc(COc2cccc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)c2)cs1 505941736 CUVANPWVUBMHAR-IBGZPJMESA-N 431.439 5.044 30 20 IKED CC(C)Cn1ncc(NC(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)c1C(F)F 506725146 OIMNEAIDOCTKQH-AWEZNQCLSA-N 426.336 5.180 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H]2CCN(c3ccccc3)C2)cc1 508293107 QYHLQHFNPQAHSK-HXUWFJFHSA-N 442.519 5.007 30 20 IKED COCCOc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 510736439 QBVRKJPSDCABGE-UHFFFAOYSA-N 431.492 5.006 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C(C)C)cc1 511535868 BUFMAOOCXUJIRP-DEOSSOPVSA-N 442.519 5.338 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(OC(F)F)cc2F)cc1C 512440327 AKMQERLHRCNDHW-UHFFFAOYSA-N 428.414 5.073 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(NC(=O)c4ccccc4)cc3)n2)cc1 512488802 LTUHIYAGRMWXKX-QFIPXVFZSA-N 448.507 5.424 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 516845696 VXTBPVFSSRJEPC-UHFFFAOYSA-N 449.579 6.261 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 517520381 BQRFADCKOHQRNG-KZULUSFZSA-N 431.970 5.176 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 518239591 HLRPTMHIZCLACG-AWEZNQCLSA-N 425.535 5.548 30 20 IKED CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 520321727 DQRKNAKUEVHJJO-UHFFFAOYSA-N 427.504 5.782 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1Cl 520515381 XVLLNRADZCFMSC-ZJSXRUAMSA-N 444.966 5.241 30 20 IKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 521606047 FGGSYDGTUOCBKP-HNNXBMFYSA-N 431.492 5.933 30 20 IKED C[C@@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1ccccc1F 521793458 CNVVWNXIKJRFNL-GFCCVEGCSA-N 433.430 5.506 30 20 IKED CC(C)CC(=O)Nc1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1 522304695 YNFRRMLZFUTONH-UHFFFAOYSA-N 427.504 5.374 30 20 IKED CCc1c(C)sc(NC(=O)c2cc(Br)sc2Br)c1C#N 522639995 OAYFLZLQDZBAHQ-UHFFFAOYSA-N 434.178 5.329 30 20 IKED Cc1nc(SCC(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)c(C#N)c(C)c1C 524963595 GVHMWEGWCCWEST-QGZVFWFLSA-N 427.879 5.044 30 20 IKED O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)N[C@H](CO)CC(F)(F)F 535303644 PUOIKVSPKZHGOH-NSHDSACASA-N 440.315 5.072 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 543351380 IUZBWLFITPOVPO-VFNWGFHPSA-N 447.457 5.217 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(CSc2cccc(Cl)c2C#N)cs1 543959681 OSYQJBYFONENQL-UHFFFAOYSA-N 434.373 6.298 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(OCC2CC2)CC1 549723992 MEUQJDDVMOOFPH-QGZVFWFLSA-N 430.980 5.043 30 20 IKED N#CCCC[C@@H](NC(=O)C(=O)Nc1ccc(OCC2CCCCC2)cc1)c1ccccc1 551831161 SMNKTFFHOSRNRC-XMMPIXPASA-N 433.552 5.136 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCc2c(ccc(Cl)c2Cl)C1 553026567 SMBROFJQKSWGIN-CQSZACIVSA-N 434.392 5.242 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(N3CCCCC3)nc2)cc1 553577888 LNLPBTZFNQJOQP-UHFFFAOYSA-N 428.561 5.488 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc4c(c3)oc3ccccc34)CC2)c(F)c1 554168128 DIKYSZOCTNNRDC-UHFFFAOYSA-N 429.451 5.672 30 20 IKED N#Cc1ccc(N2CCC(N[C@H](c3cccc(C(F)(F)F)c3)C3CCOCC3)CC2)cc1 560536951 OEUGQNRSZLZZHS-DEOSSOPVSA-N 443.513 5.303 30 20 IKED CC1(C(=O)N[C@H]2CCOc3c(Cl)cccc32)CCN(c2ccc(Cl)cc2C#N)CC1 561080631 MDYGXHJAYIUZNM-IBGZPJMESA-N 444.362 5.112 30 20 IKED CC(=O)Nc1ccc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c(Cl)c1 563738887 KXUHWFXRAOSGBI-UHFFFAOYSA-N 445.350 5.069 30 20 IKED CC(C)CC(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1 564441871 WAJGAFRTIPXTNZ-UHFFFAOYSA-N 443.507 5.052 30 20 IKED COc1cc(C#N)ccc1NC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C 564696318 YIZNVFDIFXBWRU-UHFFFAOYSA-N 445.548 5.490 30 20 IKED N#Cc1cc(Sc2nnc(-c3ccc(Br)cc3)n2C2CCCCC2)ncn1 582942120 SPNANDGJSPCYMQ-UHFFFAOYSA-N 441.358 5.026 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1csc(-c2ccccn2)n1 603532776 SBGLPNMHDFDDLD-UHFFFAOYSA-N 442.519 5.300 30 20 IKED CC(=O)N[C@@H](CC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2)c1ccc(Cl)cc1 603992519 XNHXJKDOXOMHTA-FQEVSTJZSA-N 449.963 5.245 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC(C)(C)[C@@H]2c2ccccc2)cc1 604562194 IYSUAARVTARTQN-DEOSSOPVSA-N 427.504 5.974 30 20 IKED CCN(CCC(F)(F)F)C(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 605939502 WDORCZDJUFFYGE-UHFFFAOYSA-N 426.279 5.453 30 20 IKED CSc1nc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2ccccn12 608552892 MFJMWCWIYXPMAG-NSHDSACASA-N 432.452 5.175 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cnn(-c4ccccc4Cl)c3)cc2)c1 609064506 AQHBYUHOEDHSES-UHFFFAOYSA-N 428.879 5.229 30 20 IKED CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 609104196 ATANAGIHCJFUHX-UHFFFAOYSA-N 431.467 5.123 30 20 IKED Cc1ccccc1-n1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1C 609104429 FOYDMIHOKSRVGU-UHFFFAOYSA-N 440.478 5.331 30 20 IKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 609129207 SLRLBANAGFOGCX-BVAGGSTKSA-N 426.516 5.590 30 20 IKED Cc1nc2ccccc2c(C)c1CC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 609173508 RZHCBPSQINSVTG-MHZLTWQESA-N 435.527 5.354 30 20 IKED CC(C)N(Cc1cccc(Br)c1)C(=O)CCCCOc1cccc(C#N)c1 609499229 CNVXAQKMCYTGJC-UHFFFAOYSA-N 429.358 5.307 30 20 IKED CN(C)CCCN(C(=O)CCc1ccc(C#N)cc1)C(c1ccccc1)c1ccccc1 609517834 WFZQGNRTSABKEH-UHFFFAOYSA-N 425.576 5.061 30 20 IKED Cc1ccc(-c2nnco2)cc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 609929954 QPHMFTYDEXGSET-UHFFFAOYSA-N 441.466 5.290 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)c1cc2ccccc2n1CC#N 609980688 VTKAUYVWHNUAEY-UHFFFAOYSA-N 437.478 5.418 30 20 IKED CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1 609991762 QTBNANJTGWYEPL-HKBQPEDESA-N 431.561 5.601 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2sc(-c3ccccc3)nc2C(F)F)cc1 611185145 LCINFMDTXCMLPM-UHFFFAOYSA-N 427.476 5.707 30 20 IKED Cc1c(C#N)c(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n(-c2ccccc2)c1C 611466779 NBIURDXCHABSAQ-UHFFFAOYSA-N 428.370 5.145 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1nc2ccccc2n1C(F)F 613403681 HPDDZQSGYRCZAR-ZDUSSCGKSA-N 445.351 5.126 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)cc1C(F)(F)F 676036790 BIXPVHCGLAUPRR-YUMQZZPRSA-N 425.266 5.484 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@H]1CCCOc2cc(F)ccc21 679028221 YDXADOQTXACODE-HFAKWTLXSA-N 442.375 5.248 30 20 IKED O=C(Nc1cccc(C(F)F)c1Cl)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 680491428 ZNQKUQMTIOAHOP-HTQZYQBOSA-N 438.746 6.309 30 20 IKED CC(=NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1)c1sc(C)nc1C 726736611 NNARULRURMZNTP-UHFFFAOYSA-N 427.595 5.552 30 20 IKED N#C[C@H](C(=O)NC1CCCCC1)C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 729889540 PLLOZWNUBZQTGA-NSHDSACASA-N 429.756 5.633 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cc1 730176354 LVCUQEUGNPXLHS-UHFFFAOYSA-N 439.490 5.991 30 20 IKED Cc1oc2c(C)c(OC(=O)c3ccc(C#N)cn3)ccc2c(=O)c1Oc1ccccc1Cl 730745415 OQYLCQKBQLWCIO-UHFFFAOYSA-N 446.846 5.341 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2c(F)cccc2s1 731060891 MRFRCVBOXSPTRE-CYBMUJFWSA-N 428.510 5.088 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@H](C)Sc1ccc(Cl)cc1 731065689 LBPJZJZYLTUNHZ-HUUCEWRRSA-N 448.997 5.254 30 20 IKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nnn1-c1cccc2ncccc12 731326515 RSIJIIBRCXUFMK-HSZRJFAPSA-N 444.498 5.032 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 731333114 WXAKKGKBRJWITB-INIZCTEOSA-N 425.554 5.358 30 20 IKED CC(C)[C@H](C#N)NC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 732096456 NESGSXXTPPDCOR-SFHVURJKSA-N 440.619 5.234 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Cc2cccc(OCc3ccccc3C)c2)c1 733772725 GCECUXHOLIYYPU-XMMPIXPASA-N 428.532 5.114 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)c1 733773186 UGOQEDLRIPPWDO-FQEVSTJZSA-N 444.560 5.066 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)[C@H](C)c2ccccc2Br)c1 733805757 DXKJXDZTFKOYGB-WBVHZDCISA-N 430.346 5.033 30 20 IKED CC(=O)N(c1nc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cs1)C1CC1 734303178 GLLDXIGHVYPCQP-UYRXBGFRSA-N 445.569 5.692 30 20 IKED COc1cccc([C@H]2C[C@@H]2C(=O)OCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)c1 735141069 FPSJFDYYCMBTPL-RPWUZVMVSA-N 443.499 5.001 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cc(C)ccc2SCC(F)(F)F)c1 737026742 KLQDWSKUDUMMRG-INIZCTEOSA-N 437.487 5.652 30 20 IKED C[C@H](SCC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1nc2ccccc2[nH]1 739595151 WCHCHGHJLKCISJ-HNNXBMFYSA-N 432.574 5.274 30 20 IKED CC(C)N(CCC#N)Cn1nc(-c2cccnc2)n(-c2ccc(Cl)c(Cl)c2)c1=S 739841653 MCPJCDWDAHQFKN-UHFFFAOYSA-N 447.395 5.354 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740059117 GPSYWJWISQLMMR-UHFFFAOYSA-N 428.561 5.526 30 20 IKED O=C(/C=C\c1ccccc1OCc1ccccc1)c1ccc(S(=O)(=O)CC(F)F)cc1 741852646 PXYRDWSJWFKLGL-QINSGFPZSA-N 442.483 5.201 30 20 IKED CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C#N)o2)NC(=S)N1c1cc(C)cc(C)c1 743739936 ODPWMVDBOPGXNX-HSZRJFAPSA-N 442.544 5.117 30 20 IKED C[C@@H](OC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1nc(Cc2ccccc2)no1 744742954 QPEPBZSKRWNLTP-GOSISDBHSA-N 439.471 5.029 30 20 IKED CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 744765430 BVQCPHSKPYSDQY-RUZDIDTESA-N 430.527 5.077 30 20 IKED COc1cc(/C=C\C(=O)c2cccc(O[C@H](C)C(=O)O)c2)ccc1OCc1ccccc1 745021420 OFRPEAWNBLEOKD-FWFZHJKVSA-N 432.472 5.022 30 20 IKED N#CCOc1ccc(CNC(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)cc1 745798726 KEYBHIKFXYAXJW-UHFFFAOYSA-N 431.458 5.262 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN(Cc2ccc(F)cc2F)C2CCCC2)c1=S 746064634 NZXFLAPOCDBOBF-UHFFFAOYSA-N 441.551 5.343 30 20 IKED COc1ccc(-c2nc(/C=C/C(=O)c3ccc(SC(F)F)c(OC)c3)cs2)cc1 746346239 MMAFRAUFBYMRGI-RMKNXTFCSA-N 433.501 6.038 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 747203548 ARRHQRUJFZXMCH-XIKOKIGWSA-N 433.386 5.088 30 20 IKED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CC(=O)[C@H](C#N)c1nc3cc(F)ccc3s1)C2 749032510 IWNNMPGGWNCDHM-ULQDDVLXSA-N 443.544 5.180 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1ccc(F)c(Cl)c1 749102803 RYTIHOQKQPSKGH-UHFFFAOYSA-N 431.733 5.766 30 20 IKED Cc1nc(-c2cccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)c2)[nH]c1C 749584381 ZSGWIPXKEHDTRU-UHFFFAOYSA-N 438.556 6.110 30 20 IKED Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)Nc1cccc(OCC#N)c1 750184201 FIYNFQZFAUUFOT-UHFFFAOYSA-N 436.309 5.338 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(CCO)[C@H]2CCCc3ccccc32)cc1 754436970 PDRQPNDXEQEIGG-FTJBHMTQSA-N 425.532 5.246 30 20 IKED Cn1cc(CCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c2ccccc21 756233647 MOHJFKDLTAXQON-QFIPXVFZSA-N 437.499 5.251 30 20 IKED C#CC[C@H](NC(=O)Nc1ccc(CC(=O)N(CC)c2ccccc2)cc1)c1ccccc1 757777124 FTMDATXSMGYULY-VWLOTQADSA-N 425.532 5.168 30 20 IKED C=CC(=O)Nc1cc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)ccc1F 758280964 SHVGHXUNUJFULV-UHFFFAOYSA-N 435.842 5.520 30 20 IKED Cc1ccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccc(C(C)(C)C)cc2)cc1C 762439333 RHTQAWPWSVSOQK-UHFFFAOYSA-O 442.608 6.083 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(O)c(Cl)c2)cs1 768752937 RTBYKYHIXOUFIO-UITAMQMPSA-N 433.316 5.736 30 20 IKED Cc1cccc([C@@H]2NC(=O)N(c3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2=O)c1C 771821442 ZKNYZKBBIIPRRP-GMAHTHKFSA-N 429.907 5.410 30 20 IKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(N2CCOC2=O)cc1 771857296 CVHMSOGPJRKPNZ-BHQIHCQQSA-N 429.316 5.577 30 20 IKED C=C(C)[C@@H](NC(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1ccc(F)c(F)c1 775619845 JHXVGDBWDMNHFB-HXUWFJFHSA-N 430.842 5.639 30 20 IKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1ccc(-c2cccc(C(C)C)c2)o1 776513223 XECHPNBXTUUKIV-LJQANCHMSA-N 446.503 5.397 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 777299649 GEMSBPDALZHRFX-ZIAGYGMSSA-N 447.507 5.054 30 20 IKED CC(=NNc1ncnc2sc(-c3ccccc3)cc12)c1cc2c(s1)SCC(=O)N2 778538874 RVGHPSBKSIJIJJ-UHFFFAOYSA-N 437.575 5.300 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 780154421 RWXBYEOZXDDTAI-NYHFZMIOSA-N 441.314 6.043 30 20 IKED CC[C@H](C)Oc1ccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 783463402 FCNVFNKLSGZTOA-MHECFPHRSA-N 427.504 5.097 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cnc1Br 788349251 MSGONUSNXZWBBR-ZDUSSCGKSA-N 448.729 5.120 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CCC(=O)c2cccn21)c1nc(-c2ccc(Cl)cc2Cl)cs1 789406792 YGLSHYAHGCBJAF-GUYCJALGSA-N 430.316 5.312 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O 789890139 QAXNHFMDCWCUHD-UHFFFAOYSA-N 436.430 5.607 30 20 IKED N#C[C@@H](C(=O)Cc1cc(Cl)ccc1Br)c1nc(-c2ccncc2)cs1 790768753 NZLNCKHKGWHFNH-AWEZNQCLSA-N 432.730 5.040 30 20 IKED Cn1c(C(=O)[C@@H](C#N)c2nccc3ccccc23)ccc1-c1ccccc1Br 792095217 VGHPFUZHWVCDDQ-SFHVURJKSA-N 430.305 5.493 30 20 IKED CCc1c(NC(=O)NCc2cccc(O[C@H](C#N)CC)c2)cnn1-c1ccccc1Cl 792485349 XPEFLHILSJCRMT-KRWDZBQOSA-N 437.931 5.091 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(C(=O)Nc3ccccc3)c2)cc1 795206533 XIBOLYWBEDGKKS-SANMLTNESA-N 431.495 5.847 30 20 IKED C=CC[C@@H](OC(=O)/C=C/c1cc2cnn(C(C)C)c2[nH]c1=O)c1ccc(Cl)c(Cl)c1 797566936 VYQLIIWSJRPDQH-QRBZPYHOSA-N 446.334 5.486 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cc(-c3ccc(OC)nc3)ccc2C)c1 801873072 LKBWOYAMIZXDCO-OAQYLSRUSA-N 430.508 5.068 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cc(F)ccc2[N+](=O)[O-])cs1 806559468 BOVXYDMVKWGSQK-WEVVVXLNSA-N 445.859 5.425 30 20 IKED C#CCC1(OC(=O)[C@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)CCC1 810749846 WUBPOZXOLABTNS-HNNXBMFYSA-N 438.574 5.175 30 20 IKED Fc1ccc(OCC(F)(F)F)c(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c1 874064394 GLSOVORCANQQEU-UHFFFAOYSA-N 428.329 5.474 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccccc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 915104044 JAPQLXOYTYYHDY-OAHLLOKOSA-N 443.475 5.858 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(Cc3ccc(F)cc3)CC2)cc1 915352910 KMWPEVCMABBCOZ-AREMUKBSSA-N 442.538 5.221 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccnc(OCc3ccccc3)c2)cc1 915359071 LAFCEYUHPJMGDM-SANMLTNESA-N 448.526 5.638 30 20 IKED C=CCc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(OC)c1 916654347 YFMATPRICJEAQX-GOSISDBHSA-N 438.936 5.456 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(-c2ccccc2)n1 916906120 RGMSOLRHENNUQC-IBGZPJMESA-N 439.496 5.564 30 20 IKED N#C[C@H](C(=O)[C@H]1COc2ccc(Cl)cc2C1)c1nc(-c2ccc(Cl)cc2)cs1 916976827 GWQIPDKGFGOCBX-RHSMWYFYSA-N 429.328 5.544 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)cs1 917561400 GMSKPHZVUAGPJN-DHZHZOJOSA-N 430.451 6.051 30 20 IKED CCCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1C#N 917703565 OVJJLTMTGBTVGH-JOCHJYFZSA-N 448.592 5.326 30 20 IKED COc1ccc2c(c1)CCC[C@@H]2CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 920110469 RLJONQKGLSHGNX-KDOFPFPSSA-N 431.319 5.160 30 20 IKED CCCCc1oc2ccccc2c1/C=C\C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 920264985 GZCABLGMXHPADF-QJRAZLAKSA-N 427.529 6.184 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3c(OC)cccc3OC)CCC2)cc1 1786102893 DCVWKKHYQXKUMC-UHFFFAOYSA-N 448.563 5.220 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cc4nc(C)ccc4o3)CCC2)cc1 1786103936 TXDYJJWCRZHXQD-UHFFFAOYSA-N 443.547 5.652 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4ncncc4c3)CCC2)cc1 1789454028 LMYZMHMRULMSPU-HSZRJFAPSA-N 440.547 5.146 30 20 IKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC2)c(Cl)c1 1789579325 CMWLNQRNYIAFJE-JFLMPSFJSA-N 449.938 5.108 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)cc(F)c4F)CCC3)cc2)cc1 1790290750 CCJJOOZHTRDWDO-UHFFFAOYSA-N 449.432 5.037 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cccc4ccn(C)c34)CCC2)cc1 1791298660 NSUOWHOPOQQFLI-UHFFFAOYSA-N 437.490 5.137 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@]4(C)CC4(F)F)cc3)CCC2)c1 1792248277 PTQXLIBUFZTMSZ-MWTRTKDXSA-N 437.490 5.107 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2csc(C)c2C)[C@@H]1c1cccnc1 1810494240 CUTSFQZDSTXUBG-IFMALSPDSA-N 439.625 5.072 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)cc(OC)c2)[nH]n1 1814443951 KRGBSEBRBBDLKA-OAQYLSRUSA-N 438.572 5.025 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@]2(F)CCCC=C2F)[nH]n1 1814445840 XZIJZWAKIVACNX-UZUQRXQVSA-N 434.531 5.140 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)CC1 1824102529 AIBLEHJBDAWQPI-RPWUZVMVSA-N 442.720 5.014 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2coc(C(C)C)n2)CC1 1825419265 QNMIVGLBMAUSIV-OAQYLSRUSA-N 429.605 5.024 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2Cl)CC1 1828827169 JDGLTYKUXSYKPM-NFBKMPQASA-N 429.004 5.342 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sccc2Cl)CC1 1829447784 DGCFXFHTSBAIJT-QUCCMNQESA-N 435.033 5.403 30 20 IKED N#Cc1ccc(OCCOC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1 12272382 QZCVAEMVOMRESK-UHFFFAOYSA-N 431.275 5.075 30 20 IKED COc1cc(/C=C2\S/C(=N\c3c(C)cccc3C)NC2=O)ccc1OCc1ccccc1 16440358 CGPNXYYJOVETRX-HAHDFKILSA-N 444.556 5.783 30 20 IKED CCc1cccc(C)c1/N=C1\NC(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S1 16939033 ROQITLBEGCPFFV-HNNXBMFYSA-N 436.364 5.112 30 20 IKED C[C@H](OC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)C(=O)Nc1cccc(C#N)c1 19165024 MWRAQQSHXUCSNJ-KRWDZBQOSA-N 437.455 5.064 30 20 IKED COc1ccccc1N/C(S)=C(/C(=O)c1ccc(C)s1)[n+]1ccc(C(C)(C)C)cc1 22686122 FNNHGLPSHXIWRC-UHFFFAOYSA-O 439.626 5.701 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccccc2F)cc1 23603366 WQMFLWVETJUKLN-UHFFFAOYSA-O 438.592 6.013 30 20 IKED N#Cc1ccc(CCC(=O)Oc2ccc(NC(=O)c3ccccc3Br)cc2)cc1 24692831 BCFPPNGXMSFCSK-UHFFFAOYSA-N 449.304 5.111 30 20 IKED C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N(CCC#N)c1ccc(F)cc1 26514533 SVWCNIXJGVYUPC-ZDUSSCGKSA-N 448.445 5.215 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1OC 33242475 ZVGRAQAKIMNZGK-XMMPIXPASA-N 442.515 5.132 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2nncn2[C@@H](C)c2ccccc2)n(C2CCCC2)c1C 117465042 YCUUSZIHZDEABN-SFHVURJKSA-N 448.596 5.023 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cccc(OC[C@H]3CCCO3)c2)cc1 302934480 IHOUHBYGALFUQY-AREMUKBSSA-N 444.506 5.098 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1 302974097 IPDGWFUCIRGVFQ-UHFFFAOYSA-N 427.479 5.680 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN(Cc1ccccc1C(F)(F)F)C1CC1 303402072 RIFVDYGAUXRXMK-MRXNPFEDSA-N 447.526 5.560 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCCCC[C@@H]2c2ccco2)cc1 303879845 QVCRUSUMINQOTQ-XMMPIXPASA-N 429.520 6.074 30 20 IKED C[C@H](Sc1ccccc1)c1ccc(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 433027007 SHJPKQNQRGFCSO-AVRDEDQJSA-N 444.560 5.492 30 20 IKED N#Cc1cccc(C2(C(=O)Nc3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)CC2)c1 435363955 MRHSNLPUWKGHIV-UHFFFAOYSA-N 449.432 5.500 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Sc3ccncc3)cc2)c1 435371263 TYBPDIFNTFEYIU-UHFFFAOYSA-N 427.485 5.529 30 20 IKED CCCCN(C)CC1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 438668803 ZUJKQVGCVDAWBR-UHFFFAOYSA-N 438.547 5.465 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)Nc3cccc(CC(F)(F)F)c3)cc2)cc1 441037148 QJUUSCWDEOUOAL-UHFFFAOYSA-N 439.393 5.033 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccc(C(=O)NC)c(Cl)c1)c1ccc(C(F)(F)F)cc1 442228733 XYHNCSYTPNQSJZ-GOSISDBHSA-N 439.865 5.547 30 20 IKED Cc1cc(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)ccc1C#N 443900806 OGIRCYDLYIPZID-OAQYLSRUSA-N 435.549 5.171 30 20 IKED Cc1ccccc1[C@H]1CN(C(=O)c2cccc(OCc3ccccc3C#N)c2)[C@H](C)CO1 460397582 GJRWFFZDMWKINV-FQRUVTKNSA-N 426.516 5.048 30 20 IKED CCOc1ccc(Br)cc1CN(C(=O)[C@@H](C)c1cccc(C#N)c1)C1CC1 462032462 QQXNAJJGOCFXEV-HNNXBMFYSA-N 427.342 5.014 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(OCc2nnc(-c3cccc(C#N)c3)o2)cc1 462647768 ZYSBVEYGSRORQG-UHFFFAOYSA-N 444.878 5.117 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 469226123 LDIZKGUIVUDKIT-CQSZACIVSA-N 426.929 5.213 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3Cl)ccc21 469950099 HWCVSILCDBMCGC-ZWKOTPCHSA-N 442.346 5.319 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](c2ccc(C)cc2)c2ccccn2)cc1 471249898 NIJSRDFJZDPSCB-RUZDIDTESA-N 440.547 5.115 30 20 IKED C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)C[C@@H](CC#N)c1ccccc1)OCCO3 474414008 PSYRAOZWIYWLSM-PZJWPPBQSA-N 430.548 5.260 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(-c2ccccc2C)noc1C 475583235 FJRWELDKJVJVKF-UHFFFAOYSA-N 437.499 5.970 30 20 IKED CC(C)(C)c1ccc(C(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2CC#N)cc1 475813090 UARHGPDZVPFFIT-UHFFFAOYSA-N 447.560 5.103 30 20 IKED O=C(NCC#Cc1ccccc1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 477169954 WJLHIEJOAIQMLD-XGNNGGHXSA-N 443.431 5.277 30 20 IKED C=C(C)[C@@H](NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(F)c(F)c1 477653784 ZKLSQIDEQNXVNV-HSZRJFAPSA-N 447.441 5.001 30 20 IKED Cn1cc(CNCc2cc(Cl)cc(Cl)c2OC(F)F)c(-c2ccc(C#N)cc2)n1 478199689 CTDXSPVQQWUFTJ-UHFFFAOYSA-N 437.277 5.157 30 20 IKED C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 479553821 FBBSDWMUCYGNIH-ZBEGNZNMSA-N 427.348 5.214 30 20 IKED CC(C)n1cc2c(n1)C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)CC2 483054125 QSVCQLJTCREAMU-RBBKRZOGSA-N 447.970 5.452 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(Oc3ccncc3)c2)cc1C 484058723 BVMSOTOKVFVNCL-UHFFFAOYSA-N 437.503 5.520 30 20 IKED COc1ccc([C@H](NC(=O)c2cccc(CC#N)c2)c2ccccc2)cc1Br 485416260 XROUIXWUMIOFCN-JOCHJYFZSA-N 435.321 5.043 30 20 IKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)S(=O)(=O)c1ccc(F)cc1C(F)(F)F 488720622 AENVTVRGAOGKAM-JTQLQIEISA-N 429.357 5.245 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 489658320 JBSROGURIFNWLD-GOSISDBHSA-N 447.564 5.563 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCOC3(CCCCC3)C2)cc1 494236175 BKUCRAXEVPKMEN-JOCHJYFZSA-N 433.552 5.335 30 20 IKED N#Cc1ccsc1C(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F 497989649 JXOVPHADTFDJCA-UHFFFAOYSA-N 433.386 5.282 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(Oc2nncc3ccccc23)cc1 498592840 QGYHXCFJEMBTED-UHFFFAOYSA-N 442.478 6.213 30 20 IKED CN(C)c1ccc(-c2cncc(C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)c2)cc1 501178261 YCTZTXDDSFXODU-UHFFFAOYSA-N 425.517 5.062 30 20 IKED Cc1ccc(Sc2ccc(C(=O)N(CCC#N)Cc3ccccn3)cc2[N+](=O)[O-])cc1 505201521 UZQUKFUVMFJHAZ-UHFFFAOYSA-N 432.505 5.006 30 20 IKED N#C[C@H](NC(=O)CSCc1coc(-c2ccccc2)n1)c1cccc(Cl)c1Cl 505332544 WZEXQNGCQJPCIY-KRWDZBQOSA-N 432.332 5.263 30 20 IKED COc1cc([C@H](C#N)NC(=O)C2(c3ccc(C(C)C)cc3)CCCC2)cc(OC)c1OC 505496552 YIYPLDXSEZGBGL-NRFANRHFSA-N 436.552 5.029 30 20 IKED COc1ccc([C@@H]2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)C2)cc1 506639190 XZKJXEBITWVFGE-OAQYLSRUSA-N 427.504 5.689 30 20 IKED CCOC(=O)c1c(NC(=O)N(CCC#N)Cc2ccccn2)sc(-c2ccccc2)c1C 506945077 GNVOWAUMRXJXHQ-UHFFFAOYSA-N 448.548 5.243 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCO[C@H](c2cccs2)C1 508466723 VTMNWLOANMQBCG-AVRDEDQJSA-N 446.576 5.397 30 20 IKED Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 511624868 IKLKXKUUYMQIPP-UHFFFAOYSA-N 435.483 5.371 30 20 IKED CCc1ccc([C@@H](N[C@H](C)c2ccc(C#N)cc2F)c2cccc(S(C)(=O)=O)c2)cc1 512628393 DZBOPOGRFSTAJI-CRICUBBOSA-N 436.552 5.103 30 20 IKED Cc1ccc(OCc2nc(CN3CCC(Oc4ccc(C#N)cc4F)CC3)cs2)cc1 512843362 GTLOEWCBLFXLEU-UHFFFAOYSA-N 437.540 5.085 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H]2CCOc3c(CC)cccc32)cc1OC 517548311 KVCQLGSYLCTMIF-LJQANCHMSA-N 432.358 5.198 30 20 IKED CCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cnn1-c1ccccc1 517800674 ARNZKQRDOZSAJX-IBGZPJMESA-N 428.517 5.057 30 20 IKED CC(=O)c1c(C)cc(C)c(CSCC(=O)Nc2ccccc2S[C@H](C)CC#N)c1C 521734131 NUXRNQUDUDBDGU-QGZVFWFLSA-N 440.634 6.081 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCC[C@@H]2c2ccccc2)cc1 522089667 VTNCWPXIOYFXGS-RSXGOPAZSA-N 425.532 5.789 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c1 524119250 ACTDXFBWXJTZJO-QHCPKHFHSA-N 442.490 5.011 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N(Cc2cccc(Br)c2)C2CC2)c1 524434871 PSUYZCXJWHAANA-UHFFFAOYSA-N 436.256 5.119 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1 524959517 ORAQRLQUWRKHJE-UHFFFAOYSA-N 444.491 5.376 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccnc(OCC(F)(F)F)c1 525047390 CWZROHCQXUXEDP-UHFFFAOYSA-N 449.376 5.300 30 20 IKED N#CCc1ccc(NC(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 525223459 IQGUQVZEYRIOCB-UHFFFAOYSA-N 425.467 5.066 30 20 IKED COc1ccc(F)c(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c1 531274212 ICYWSHQXUINAJV-UHFFFAOYSA-N 447.310 5.310 30 20 IKED C=CCN(Cc1cccc(C#N)c1)Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 532486030 XOYDTYLDVDHAAV-UHFFFAOYSA-N 430.577 5.504 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1 533839091 WIYZOXATNXCPSM-UHFFFAOYSA-N 425.532 5.133 30 20 IKED Cc1cc(S(C)(=O)=O)cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1C 534010568 PERWYNVOZKDDDT-OAHLLOKOSA-N 444.622 5.043 30 20 IKED C=CCn1c(SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)nnc1-c1ccc(C)cc1 536335534 GJFFYQLLHUSPEX-UHFFFAOYSA-N 433.493 5.295 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1 536767998 LDVFZZYIDXZLMR-LJQANCHMSA-N 431.442 5.987 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(CCN3CCCC3)c2)cc1 539908135 VRNFGDDRVDNWRE-UHFFFAOYSA-N 441.600 5.741 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1ncc(Cl)cc1Cl 540729676 WHOGWWITFQREBM-UHFFFAOYSA-N 425.316 5.176 30 20 IKED C[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-c2cccc(C#N)c2)cc1 541084339 GHVGQAGVOIIKKL-INIZCTEOSA-N 425.448 5.034 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)C2CC2)cc1 541453081 XSTUKRDFIXNJDK-UHFFFAOYSA-N 449.383 5.285 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542090912 QRDWRWPIOUQDFI-FQEVSTJZSA-N 438.531 5.016 30 20 IKED COc1ccc(OC)c(NC(=O)C[C@@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 542106734 WMAWZNNVCRDPCY-MOPGFXCFSA-N 443.547 5.310 30 20 IKED CCn1cnnc1-c1ccccc1NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 543880698 ROZLEBCHQIOFDZ-SFHVURJKSA-N 436.519 5.386 30 20 IKED CC(C)c1c(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)cnn1-c1ccccc1Cl 548808861 RZHALRLABCVCRN-UHFFFAOYSA-N 448.958 5.133 30 20 IKED CC(C)(C)n1ncnc1CN[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 548915701 HWSDTZNXXAYRNX-ZDUSSCGKSA-N 448.333 5.464 30 20 IKED C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(OC2CCCCC2)CC1 549603496 FOGGUIGIGNLDDK-UHFFFAOYSA-N 446.599 5.025 30 20 IKED N#Cc1cccc(-c2nnc(CSc3nc4c(Cl)c(Cl)cc(Cl)c4o3)o2)c1 553988644 DPEXUKXIVITHIY-UHFFFAOYSA-N 437.695 6.002 30 20 IKED Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 554180550 POAKZLMJDQWMGD-SNVBAGLBSA-N 438.347 5.008 30 20 IKED C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CCC2(CC1)OCCc1ccsc12 568963171 KHZBMDOTCKIHIY-UHFFFAOYSA-N 426.611 5.021 30 20 IKED C=CCn1c(COCc2ccccc2)nnc1N(C)[C@H](C)c1sc(C(C)C)nc1C 569275212 CNHXGJLPFAFDTL-GOSISDBHSA-N 425.602 5.267 30 20 IKED Cc1nn(-c2ccccc2)c2sc(-c3nnc(N4CCC(C#N)CC4)n3CC(C)C)cc12 569438283 VQAFZSHWGHZPDX-UHFFFAOYSA-N 445.596 5.050 30 20 IKED CN1CCc2nc3ccccc3c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)c2C1 575238632 OZCAKQSUHWBTGZ-UHFFFAOYSA-N 434.499 5.139 30 20 IKED N#CCn1c(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc2ccccc21 586838345 XVNLGKKJYROBMC-JOCHJYFZSA-N 441.453 5.081 30 20 IKED C[C@H](Sc1nnc(-c2ccc3ccccc3c2)o1)C(=O)N(CCC#N)c1ccccc1 603726455 JYWWOEJRZJHNBA-KRWDZBQOSA-N 428.517 5.317 30 20 IKED CN(C(=O)CNc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C1(C#N)CCCCC1 604009560 KFUPPHRQISGIAX-UHFFFAOYSA-N 433.339 5.277 30 20 IKED Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)[nH]c2c1 604509949 FVULCEICAAQHAH-QFIPXVFZSA-N 438.491 5.299 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H](C(=O)c4ccc(F)cc4)C3)cc2)c1 606575403 PCRVUHKPNKUCOO-FQEVSTJZSA-N 443.478 5.616 30 20 IKED Cc1nc(C2CCCC2)sc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 608552918 SFRNPRWFFOXFPQ-ZDUSSCGKSA-N 435.496 6.228 30 20 IKED CSc1nc(C)c(CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(C)n1 609061667 SPXIJBFMSSNQEM-UHFFFAOYSA-N 446.576 5.146 30 20 IKED C/C=C\c1ccc(OCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(OC)c1 609061756 HJJOXFHXNAVFRC-XQRVVYSFSA-N 442.515 5.505 30 20 IKED CC(=O)N[C@@H](CC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(Cl)cc1 609177029 ZMHMSPNLQFFSRS-QHCPKHFHSA-N 433.895 5.210 30 20 IKED C[C@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)CSc1ccc(C#N)cc1 609192335 RTAGJTVOIJWKEB-BUXKBTBVSA-N 433.396 5.012 30 20 IKED COc1ccccc1[C@H]1CCCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 609281859 YXIWOQMVTQSOIB-RUZDIDTESA-N 441.531 6.427 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CC[C@H]1Cc2ccccc2NC1=O 609378560 VLWCWDAENKJLIC-HNNXBMFYSA-N 447.482 5.241 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cc4c(C(F)(F)F)cc(O)nc4o3)cc2)c1 609430140 SQMWRXPFTCDTLV-UHFFFAOYSA-N 439.349 5.468 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)Cc3c[nH]c4ccc(Cl)cc34)c2)cc1 610040785 GEGIFGPYWQBETQ-UHFFFAOYSA-N 429.907 5.648 30 20 IKED Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)CCc1ccc(C#N)cc1 610210626 BLEHPEZGTCSKOJ-UHFFFAOYSA-N 440.522 6.175 30 20 IKED Cn1ccnc1C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccccc1 610324159 CBAOSZULMUPYDR-XMMPIXPASA-N 437.503 5.190 30 20 IKED N#Cc1ccc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1C(F)(F)F 610330973 XQVLQVITRGRJNM-NXEZZACHSA-N 447.301 5.608 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](Cc2nccn2C)c2ccccc2)cc1 610684889 GJISPWLDGXCMFM-XMMPIXPASA-N 436.515 5.106 30 20 IKED Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)[C@H](C#N)c2nc3ccccc3o2)cc1 614439834 OJWGIBHCPYHMFS-NRFANRHFSA-N 432.483 5.538 30 20 IKED C[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 618547204 NZADYQFUHUQMCX-WQAKAFBOSA-N 436.318 5.539 30 20 IKED CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 618852163 SGUVICAINBOHRG-XMMPIXPASA-N 446.526 5.394 30 20 IKED C=CCn1c(SCC(=O)N(C)CCC(C)C)nnc1-c1ccc(Cl)cc1Cl 642066507 FLAAEFRAVOLUJN-UHFFFAOYSA-N 427.401 5.035 30 20 IKED COc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1NC(C)=O 726428797 PRNUPXJRZWWXFP-SDQBBNPISA-N 448.906 5.455 30 20 IKED COc1ccc(/C=C/C(=O)c2sc(-c3ccc(Br)cc3)nc2C)cc1O 727780609 PZORYWNEJCMFJL-YCRREMRBSA-N 430.323 5.491 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@H]2c2ccccc2C(F)(F)F)cc1 728060690 NXUBPGHAJXZWRS-QFIPXVFZSA-N 445.485 5.188 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)CCCc2nc(-c3cccs3)no2)c1 728181797 CSCXSIACBDIWIO-UHFFFAOYSA-N 433.558 5.397 30 20 IKED O=C1/C(=C\c2cccc([N+](=O)[O-])c2)CC/C1=C/c1csc(-c2ccc3c(c2)OCO3)n1 728439628 BUXOSHLFGYYRHB-RKMJQWCZSA-N 432.457 5.277 30 20 IKED COc1cc(/C=C2\CCOc3ccccc3C2=O)cc(Br)c1OC(F)F 728441443 JXBJPRCXNCYPMU-XYOKQWHBSA-N 425.225 5.108 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)C[C@@H](c2ccccc2)C(F)(F)F)c1 728652430 JMOCWNVFDSTQSN-RXVVDRJESA-N 446.469 5.218 30 20 IKED N#Cc1c(SCC(=O)Nc2ccc(N3CCCC3)cc2)nc2c(c1-c1ccco1)CCC2 728947308 JPMRFPHYQWOSMH-UHFFFAOYSA-N 444.560 5.033 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 730685671 BCPUJSZYVAMNKH-IPMKNSEASA-N 429.347 5.569 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2c(s1)CCCCC2 731059899 CRWCKIZQWHHLCJ-OAHLLOKOSA-N 428.579 5.207 30 20 IKED COc1cc(C)c(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccncc2)cc1OC 731317908 FXGILJLRZBTOQN-KTKRTIGZSA-N 425.488 5.156 30 20 IKED N#Cc1cccc(OCCCCC(=O)OCc2nnc(-c3c(Cl)cccc3Cl)o2)c1 732399035 SSZRPMCXYAYPOP-UHFFFAOYSA-N 446.290 5.208 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)OCc3ccc(OCC(F)(F)F)cc3)cc2)nc1 732399517 RECXHMDWMVIRJM-UHFFFAOYSA-N 428.366 5.044 30 20 IKED Cc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 732899437 VLQJWUSSGDSEQP-UIOOFZCWSA-N 439.559 5.493 30 20 IKED C=CCOc1ccc(/C=C/C(=O)N(CC)[C@@H](c2ccc(C)cc2)c2cccnc2)cc1OC 732964238 UKVZUUGMDRXRBS-QMVUCBSLSA-N 442.559 5.615 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)CSc2ccc(C(C)(C)C)cc2)ccc1OC 733231894 KJNYYFQHYRWPTO-LJQANCHMSA-N 426.582 5.082 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Oc3cccc(NC(=O)c4ccco4)c3)c2)cc1 734329292 WAKYNVSMIZTYBH-UHFFFAOYSA-N 438.439 5.202 30 20 IKED N#CCOc1ccc(Cl)cc1CSCCC(=O)Nc1ccc(Br)cc1 735320567 YDRDQVUNPPJPQQ-UHFFFAOYSA-N 439.762 5.267 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N(Cc3ccccc3)C[C@@H]3CCCO3)c2)s1 740483136 NQAGQKCQZKKSDK-QFIPXVFZSA-N 431.561 5.178 30 20 IKED Brc1ccc(C=NOCc2ncc(-c3ccccc3Br)o2)cc1 742351221 RDSHDDXNKLASPS-UHFFFAOYSA-N 436.103 5.417 30 20 IKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CC2CCC2)c1 743526762 WTEJHWISIPOIST-FQEVSTJZSA-N 443.519 5.034 30 20 IKED CCOc1ccc(C=NOCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1OC 744180151 NDGMJCDGZVRSKM-UHFFFAOYSA-N 436.455 5.787 30 20 IKED C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N 744418486 DONZOJNAUSSZPH-YADARESESA-N 432.527 5.584 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2c[nH]c3cc(Cl)ccc23)cc1 745268249 XGLHTNHCLHJDMC-QHCPKHFHSA-N 428.923 5.841 30 20 IKED O=C(/C=C/c1csc(-c2ccccn2)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 750915938 JGTIMESEVGSANR-SNAWJCMRSA-N 428.357 6.139 30 20 IKED Cc1ccc(C(=O)O[C@H](C)C(C)(C)C#N)cc1NC(=O)c1ccc(Br)cc1 753613663 PAGIAEVUVLGMPG-CQSZACIVSA-N 429.314 5.105 30 20 IKED C[C@@H](C#N)CN(Cn1nc(-c2cc(-c3ccccn3)nc3ccccc23)oc1=S)C1CC1 753986839 CEBWXZHFWCUROU-INIZCTEOSA-N 442.548 5.064 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H]2CCOc3c2ccc(Cl)c3Cl)c1 754482592 TVKWSPZFNKCLSZ-GOSISDBHSA-N 443.286 5.291 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1 754532536 VRRNVWLCYVIUOI-OAHLLOKOSA-N 447.318 5.093 30 20 IKED CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1c(F)cc(C#N)cc1F 755108737 MALAABGZUZCNGV-UHFFFAOYSA-N 442.443 5.003 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(C2CC(F)(F)C2)C1=O)Nc1ccccc1 757898904 NZQFDWACFCTLHO-KRWDZBQOSA-N 449.910 5.098 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(Br)nc2)cc1 766160707 APESAYFRQOCIJP-UHFFFAOYSA-N 439.288 5.089 30 20 IKED N#Cc1cccc(-c2cnc(CNC(=O)/C(=C/c3ccc(F)cc3)c3cccs3)[nH]2)c1 770029812 ANIWJZFEBQEOOV-UDWIEESQSA-N 428.492 5.006 30 20 IKED COc1cccc(NC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)c1F 770072165 YXJWTEUFLSVEST-UHFFFAOYSA-N 447.310 5.310 30 20 IKED COc1ccc(CN2CCCCC[C@@H]2C[C@H](O)c2cccs2)cc1OCCCC#N 770292727 KYFCENNTKZABHT-RTWAWAEBSA-N 428.598 5.308 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)OC(C)(C)C 775334791 AUMQPVKPNNUANG-ZHALLVOQSA-N 446.617 5.238 30 20 IKED Cc1ccc2oc(CN(Cc3ccco3)C(=O)Nc3ccc(F)cc3OCC#N)cc2c1 775669936 CWNZZTXXBZVOBY-UHFFFAOYSA-N 433.439 5.610 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(CSCC(=O)Nc2cc(Cl)ccc2C#N)c1 776207898 QRHISJUBMDEPBI-UHFFFAOYSA-N 431.945 5.431 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(F)cc3Br)n2)cc1 777297057 NADFJUVGEXAGSJ-MRXNPFEDSA-N 445.313 5.139 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(Cl)cc1Cl)[n+]1c(C)ccc(O)c1Cl 777510706 MDOGTRQAOQAYLS-UHFFFAOYSA-O 444.791 5.325 30 20 IKED CCOc1cc(CNc2ccc(F)cc2OCC#N)cc(Br)c1OC(F)F 779609620 PQYUENSHIOEJRH-UHFFFAOYSA-N 445.235 5.103 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/CCc3[nH]c4ccccc4c3C2=O)cs1 781552126 PGTBIQPGZKZAPE-QINSGFPZSA-N 447.947 6.175 30 20 IKED COc1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(Cl)ccc3C#N)sc2C)cc1 782170910 ODHUTTUZAXQOFS-UHFFFAOYSA-N 440.908 5.053 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)OC[C@@H](C#N)Cc1ccc(F)cc1 782591047 WIRZCTOTSXQORH-OAHLLOKOSA-N 432.373 5.347 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3ncc4n3CCCC4)CC2)cc1 788571686 LVFHBDKJFPXNRR-RUZDIDTESA-N 439.563 5.286 30 20 IKED O=C1O[C@H](CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CC12CCC2 792278653 FDRYCXVPUBXNMX-STQMWFEESA-N 449.313 5.403 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccc(F)c(N3CCOC3=O)c2)cc1 794105982 FMLQZIOEKMNLGY-UHFFFAOYSA-N 433.464 5.057 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1C 806367316 NCWAUSPLABEILN-UHFFFAOYSA-N 441.576 5.730 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CC2CC(F)(F)C2)cc1 813562785 MDUBETHIBRGSCY-IBGZPJMESA-N 443.519 5.001 30 20 IKED Cc1cccc(NC(=O)c2ccccc2NC(=O)CN[C@H](CCCC#N)c2ccccc2)c1 814658520 FEWWAFFCGJZYJZ-XMMPIXPASA-N 440.547 5.211 30 20 IKED C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(-c2cccs2)nn(CN(CCC#N)CCC#N)c1=S 915794582 XXQDLIJFTAHSHN-VJANTYMQSA-N 440.642 5.227 30 20 IKED CCCn1c(=S)n(CN(CCC#N)Cc2cccnc2)c2ccc(C(F)(F)F)cc21 915795620 DRFQUJQIAANODN-UHFFFAOYSA-N 433.503 5.369 30 20 IKED CC[C@H](C)c1ccc(N=C2NC(=O)[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)S2)cc1 916232663 LGEKJOFCPKRZJL-SGTLLEGYSA-N 433.936 5.241 30 20 IKED Clc1ccc(CSc2nncn2N=Cc2c[nH]c3ccc(Br)cc23)cc1 916546258 IPLREFMMNOWIES-UHFFFAOYSA-N 446.761 5.350 30 20 IKED N#C[C@@H](C(=O)CCCOc1cccc(Br)c1)c1nc2ccccc2n1C(F)F 917041484 TYZABQJWDWFXLE-HNNXBMFYSA-N 448.267 5.229 30 20 IKED N#CCc1cccc(C(=O)O[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c1 919313750 JKHVFSPOCSOZLE-OAQYLSRUSA-N 438.405 5.308 30 20 IKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cccc(-c4cnco4)c3)CCC2)cc1 1786395151 QLSXBHXHBOHRFX-QFIPXVFZSA-N 449.576 5.044 30 20 IKED Cc1ccc(-c2cc(C(=O)Nc3ccc(C4(NC(=O)[C@@H](C)S)CCC4)cc3)c[nH]2)cc1 1787031031 WOHOUHLSGKQAKF-QGZVFWFLSA-N 433.577 5.056 30 20 IKED Cc1cc2cc(C(=O)Nc3ccc(C4(NC(=O)[C@H](S)C(C)C)CCC4)cc3)ccc2[nH]1 1790985999 RHLPWQAMNZLHFK-JOCHJYFZSA-N 435.593 5.178 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@H]4c4ccccc4)cc3)CCC2)cc1 1791535064 XLQJVELZEQNOJC-IZZNHLLZSA-N 449.554 5.304 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OC(C)(C)C)cc1)C2 1792573598 ZCHKLYAZPHWRMM-WKCHPHFGSA-N 426.601 5.108 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2cccc(Cl)c2)CC1 1797671775 PMKCNQDWKDLZRL-WKCHPHFGSA-N 429.004 5.002 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](C)Sc3ccccc3)CC2)C1 1805452330 ZVQCLLOVGNECIC-OAQYLSRUSA-N 440.653 5.167 30 20 IKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1 1812807675 PRLIXYYUQVJRFE-RBBKRZOGSA-N 449.586 5.295 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3cc(C)[nH]c23)[nH]n1 1814443415 XKQRJHIGRVJHKP-NRFANRHFSA-N 447.583 5.498 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3sccc3[nH]2)[nH]n1 1819307738 YJTLTODPIBPDMI-DNVCBOLYSA-N 437.569 5.027 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3ccoc3c2)CC1 1828830487 NFKQGPCUOJGNHT-ZEQRLZLVSA-N 434.580 5.435 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1831372691 HBBRNBGTCOWVHA-VGOFRKELSA-N 442.003 5.267 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccc(OC)cc1 10406014 LRWBFNFYGOSPAL-SFHVURJKSA-N 436.581 5.184 30 20 IKED C=CCNc1nc(C(=O)O[C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)cs1 17102869 CMDYZWWKOIZAPU-OAHLLOKOSA-N 439.562 5.076 30 20 IKED Cc1nc(C)c(C#N)c(S[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)n1 25246517 NAOBPJCMHNPANQ-LJQANCHMSA-N 442.466 5.456 30 20 IKED CCN(CC)C(=O)c1ccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)cc1 27471341 ISERRBIQEONMAN-UHFFFAOYSA-N 443.572 5.121 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)c2)c1 32290860 VTJXPSBCOAWUCO-UHFFFAOYSA-N 434.499 5.453 30 20 IKED Cn1ccnc1[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cccc(F)c1 195708787 BNJWXRHQVDEREO-HSZRJFAPSA-N 441.466 5.134 30 20 IKED C=CCn1c(SCc2cc(C=O)ccc2OC)nnc1-c1ccc(Br)cc1 302929948 GBLOODDNOPEZAK-UHFFFAOYSA-N 444.354 5.007 30 20 IKED CC(C)c1ccc(N(C(=O)Cc2ccc(OCC#N)cc2)c2nc3ccccc3s2)cc1 303473121 NLALURGCSSZSAG-UHFFFAOYSA-N 441.556 6.229 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)cc1 409824922 VOZLRVCHXNPQLK-IAGOWNOFSA-N 427.253 5.560 30 20 IKED C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1nc(-c2ccccc2)cs1 410305361 XMAVADSAOSJSAT-KRWDZBQOSA-N 441.581 6.324 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)c3nc(-c4ccc(OC)cc4)no3)o2)cc1 428328970 GUOWTOIUMYFDFQ-CQSZACIVSA-N 436.493 5.213 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 429515159 AZEKNYWXWXPORJ-UHFFFAOYSA-N 439.441 5.018 30 20 IKED CCn1c(S[C@H]2CC[C@@H](C#N)C2)nnc1-c1cc(-c2ccccc2)nc2ccccc12 430089447 NISBWSGJEKJDAT-MJGOQNOKSA-N 425.561 5.965 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)nn1-c1ccc(Br)cc1 432229545 RMLWPUBBULYKLC-OAHLLOKOSA-N 429.343 5.013 30 20 IKED N#CCCC[C@@H](NCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1ccccc1 433021397 QYCLVVZUZODWPL-BVAGGSTKSA-N 429.589 5.247 30 20 IKED C[C@@H]1CCN(c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)ccn2)C1 437554626 GYZBUXSXBMGCKP-CQSZACIVSA-N 434.487 5.205 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C1CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 438039670 FZGSKICBCQQXIX-HOTGVXAUSA-N 447.526 6.857 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H](COCc4ccccc4)C3)cc2)c1 438057617 BFXRSFXBRXTZCQ-JOCHJYFZSA-N 427.504 5.421 30 20 IKED COc1ccc(CNc2cccc3cncc(Br)c23)cc1OCCCC#N 444010460 PELVIPPQPGYKSW-UHFFFAOYSA-N 426.314 5.301 30 20 IKED CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1ccc(Cl)cc1 460701790 WQBPQCKRNDJLMH-JOCHJYFZSA-N 435.959 5.238 30 20 IKED C=CCn1c(SCc2ccccc2OCC(F)(F)F)nnc1-c1ccc(OC)cc1 463042773 KWTCKMHYGNTAHI-UHFFFAOYSA-N 435.471 5.373 30 20 IKED COc1ccc([C@H](C)CCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 466058776 XNZGNPXMCNHFQT-HXUWFJFHSA-N 443.547 5.656 30 20 IKED COc1ccc(-c2cncc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c2)cc1 466313442 WXPGDVPEWIKHEX-UHFFFAOYSA-N 449.510 5.655 30 20 IKED CC[C@@H](NC(=O)Nc1cc(F)ccc1OCC(F)(F)F)c1nc(C(F)(F)F)cs1 466693264 AXGYZMNIWDHTET-SECBINFHSA-N 445.360 5.515 30 20 IKED C[C@@H](Sc1ccccc1Cl)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469950169 IXWJRAPWUALYDH-OAHLLOKOSA-N 427.957 5.042 30 20 IKED Cc1cc(OCCCC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)ccc1Cl 469952585 IXJFSEKPIOKPDO-UHFFFAOYSA-N 439.943 5.029 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@@H]3CCCC[C@@H]3c3ccccc3)ccc21 470538878 SWLQISHIRTUONB-DHIUTWEWSA-N 430.552 5.117 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(COc4ccccc4)cc3)ccc21 470777526 XHQRNHGPEOWSKK-UHFFFAOYSA-N 439.515 5.101 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@@H](c2ccsc2)O1 470793911 ODLFVBPBEKNOSJ-KOSHJBKYSA-N 447.560 5.387 30 20 IKED C[C@H](NC(=O)c1cc2c(C(F)F)nn(C)c2s1)c1ccc(-c2cccc(C#N)c2)cc1 471095393 MZIWDJYJSABENJ-ZDUSSCGKSA-N 436.487 5.602 30 20 IKED COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(OC(F)F)c1 475505218 AASJPGYQZCHXRR-UHFFFAOYSA-N 446.397 5.573 30 20 IKED C=C(C)[C@@H](NC(=O)C(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1)c1ccc(F)c(F)c1 477660846 GAKBYKYAHGZLRV-HXUWFJFHSA-N 441.503 5.077 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(OC4CCCC4)CC3)cc2F)c1 481592029 BJFBUMLGHWHDQN-UHFFFAOYSA-N 437.515 5.232 30 20 IKED C=C(C)[C@H](NCc1csc(N(C(C)=O)c2cccc(Cl)c2)n1)c1ccc(F)c(F)c1 481600763 RIQXLRJPNBPINN-NRFANRHFSA-N 447.938 6.166 30 20 IKED C[C@@H](c1c(F)cccc1F)N(C)C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 482369521 GQWGEAMWJFSTOC-MGPLVRAMSA-N 438.343 5.572 30 20 IKED CCOc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(C(F)(F)F)c1 483436423 ITLRAXVOIBQUCP-UHFFFAOYSA-N 426.394 6.020 30 20 IKED CC[C@@H](N[C@H](C)c1ccc(OC(F)F)cc1OC(F)F)c1nc(C(F)(F)F)cs1 483846592 CEQIKEIBMYFADO-LDYMZIIASA-N 446.388 6.167 30 20 IKED CC(=O)Nc1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)c(C(F)(F)F)c1 486163107 CWVNGBXVLXKUMV-HNNXBMFYSA-N 437.315 5.228 30 20 IKED N#CCCC[C@H](NC(=O)CSCc1ccc(Br)cc1F)c1ccccc1 487579456 ZTALYMZLRYOLCO-IBGZPJMESA-N 435.362 5.373 30 20 IKED CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 490991404 AVAUQGGFOMTCBJ-UHFFFAOYSA-N 440.908 5.050 30 20 IKED CC(C)Oc1nc(C(F)(F)F)ccc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 495203370 QZJSQYZRDJTODP-GFCCVEGCSA-N 438.356 5.122 30 20 IKED Cc1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1NC(=O)c1ccco1 505349396 KRANNJAGFVAYIS-QGZVFWFLSA-N 428.275 5.142 30 20 IKED Cc1sc2ncnc(Sc3ccccc3C(=O)N[C@H](C#N)c3ccccc3F)c2c1C 505949040 RTWSTYBJFVIELI-GOSISDBHSA-N 448.548 5.593 30 20 IKED C=CCn1c(Cc2cccc3ccccc23)nnc1N(C)Cc1nc([C@@H](C)SCC)no1 508863591 KPMXPQBDWQFTEE-QGZVFWFLSA-N 448.596 5.042 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](CC(F)(F)F)c1ccccc1 510673512 CVWAHDXTROMWIG-QFIPXVFZSA-N 439.437 6.474 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 512845183 RFLGFPPJLOFZJF-UHFFFAOYSA-N 434.805 5.067 30 20 IKED CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NCC(C)(C)CCC#N 513141929 WOSOGFXTIWPMQW-UHFFFAOYSA-N 449.986 5.664 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1nc2cc(Cl)ccc2s1 513664993 ASUUTTLYGZQWGY-OAHLLOKOSA-N 446.841 5.644 30 20 IKED Cc1nc(O)cc(-c2ccc(NC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)cc2)n1 517865517 ARTFOCUVXXCTBI-UHFFFAOYSA-N 437.459 5.466 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1c1cccc(Br)c1 519450379 CTZPVKFLOMVBLT-KXBFYZLASA-N 444.398 6.070 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N[C@@](C)(C#N)C1CCCCC1 519725811 LCPKFEHHLAIBHM-QFIPXVFZSA-N 433.383 5.317 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCO4)cc2)c1 521810722 ADXAADXIFQDGQH-JOCHJYFZSA-N 427.460 5.448 30 20 IKED C=CCn1c(SCC/C=C\c2ccc(Br)cc2)nnc1-c1cccnc1 522684788 ZXBJIHVPAJTWGO-UTCJRWHESA-N 427.371 5.484 30 20 IKED CC(C)(C)[S@](=O)Cc1cccc(NCc2cccc(OCc3cccc(C#N)c3)c2)c1 532897451 IXTBRBBVGOHFJO-WJOKGBTCSA-N 432.589 5.797 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)ccc1NC(=O)c1cccs1 533938940 NGDBPMCYBYZJSQ-HNNXBMFYSA-N 429.423 5.213 30 20 IKED Cc1ccc(C(=O)N[C@@](C)(C#N)CC(C)C)cc1NC(=O)c1ccc(Br)cc1 534597543 BCKKJTBCSUNCES-JOCHJYFZSA-N 442.357 5.068 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccccc3N3CCC(CO)CC3)cc2)cc1 534993065 WWGQSVIANXOANS-UHFFFAOYSA-N 441.531 5.006 30 20 IKED Cc1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c(Br)c1 535844577 SAKKQEYGSSDISE-UHFFFAOYSA-N 445.367 5.025 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1 538262824 JUXNPXBVYRUWJR-LADGPHEKSA-N 448.975 5.764 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 540864963 PJIIHMMTNNGONZ-AWEZNQCLSA-N 442.441 5.468 30 20 IKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 543885149 ULTUOCUNOZSHFO-CYBMUJFWSA-N 436.928 5.232 30 20 IKED O=C(NCc1cccnc1)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 547854929 GFNQWUJTDNSAKR-ZDUSSCGKSA-N 445.285 5.222 30 20 IKED C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCC(N(CCC)C(=O)c2cccs2)CC1 549287361 JOUAAYDAONXKQF-UHFFFAOYSA-N 443.661 5.026 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 558755583 POXLFDNFPKHIMF-GFCCVEGCSA-N 448.737 5.019 30 20 IKED COc1ccc([C@H](CCC#N)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1 569187020 SHUJNZZHRWDTEE-NDEPHWFRSA-N 436.559 5.742 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc([C@@H](CC)NC(=O)c2ccccc2)no1 572562365 JNQPRQOJTAHSOI-QGZVFWFLSA-N 431.414 5.201 30 20 IKED Cc1ccc(C)n1C1CCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 579387991 WHXONTRXRUFIFR-UHFFFAOYSA-N 439.003 5.100 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CC1 582319998 HSKQNRGZVGXGMG-PMACEKPBSA-N 442.485 5.003 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)CCSc3ccc(C(F)(F)F)cn3)c2C#N)C1 589944799 UFPMXECQFZRZPY-NSHDSACASA-N 425.501 5.279 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)c1nc2cc(F)ccc2s1 592974725 YCULUPLOYYJLKV-CYBMUJFWSA-N 441.285 5.078 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(c2cccc(Br)c2)CC1 603738823 BDZUKLXTVSZDFB-UHFFFAOYSA-N 448.320 5.487 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@@H](C#N)c1ccc(F)cc1 604130037 LHCMAYRJPTYPBD-KRWDZBQOSA-N 427.888 5.096 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccccc2Oc2cccnc2)cc1 604568876 GIMMMXBLUBZNSD-UHFFFAOYSA-N 437.455 5.799 30 20 IKED Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609176518 KWHSOKXJNFZTGD-UHFFFAOYSA-N 426.451 5.545 30 20 IKED Cc1ccc(C(=O)N[C@H](CC(=O)Nc2cccc(OCCCC#N)c2)c2ccccc2)cc1 609228339 QKKVMQNTLAEKRR-RUZDIDTESA-N 441.531 5.178 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc2ccc(C(F)(F)F)nc2c1 609385868 PKMTYGBZCWWISZ-CQSZACIVSA-N 445.466 5.665 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 609436629 SFJYXKXCNDHMJE-OXQOHEQNSA-N 441.572 5.452 30 20 IKED C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 609508376 SPBDJPLLSJADTL-KSFYIVLOSA-N 433.895 5.001 30 20 IKED Cc1nc(-c2cnn(C)c2)sc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 609642790 PXKKWSNQLOZJHI-UHFFFAOYSA-N 449.923 5.422 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 609682791 UCVNJWDVFKHHKU-DOTOQJQBSA-N 448.514 5.500 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@H](c2ccccc2)c2cccnc2)c1 609724138 KUAZRZLSZPBVNW-RUZDIDTESA-N 439.902 5.918 30 20 IKED Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C(C)C 609945554 GCTKELGALKCJRR-XMMPIXPASA-N 427.504 5.111 30 20 IKED C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 610330981 ZUSDYOHIWQGSIC-OAHLLOKOSA-N 428.458 5.025 30 20 IKED CC(=O)N(Cc1ccc(NCc2cccc(OCc3cccc(C#N)c3)c2)cc1)C(C)C 610911036 CDDYSTMQVXCCOQ-UHFFFAOYSA-N 427.548 5.506 30 20 IKED Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 611815840 ZTOBADUAIJXEON-OAQYLSRUSA-N 430.512 5.235 30 20 IKED CCOc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OCC 613404896 WAOSRDKQQRCVNI-AWEZNQCLSA-N 434.439 5.603 30 20 IKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)NCc3ccc(C#N)c(Cl)c3)c2)c1 619767453 DBZDEEZEZAGDTD-UHFFFAOYSA-N 447.926 5.164 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(C#N)c(Cl)c2)cc1 619787314 PSQITVOJQPJZMM-UHFFFAOYSA-N 430.895 5.178 30 20 IKED COc1ccc(NC(=O)NCc2ccc(C#N)c(Cl)c2)cc1NC(=O)C1CCCCC1 619788448 PJROYPBBHPTNRD-UHFFFAOYSA-N 440.931 5.061 30 20 IKED O=C(Nc1ccc(F)c(C(F)(F)F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 620816332 RJZLXXQDNRMQED-HTQZYQBOSA-N 440.281 5.876 30 20 IKED C=CCn1c(S[C@@H](C(=O)N2c3ccccc3C[C@H]2C)C(C)C)nnc1-c1ccoc1C 639394171 FARBTPQCGPEASZ-IIBYNOLFSA-N 436.581 5.127 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(NC(=O)c4cccs4)c3)n2)cc1 642281232 QOBSBIDHYSHHMM-IBGZPJMESA-N 443.553 5.922 30 20 IKED C[C@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(OC(F)F)c1 642897797 GJBGXMOSVBLTTO-FTYKPCCVSA-N 448.354 5.558 30 20 IKED CC(C)(c1ccc(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1)C(F)(F)F 683385430 DSFBLUYOQQXSQX-BETUJISGSA-N 435.330 5.729 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)C(=O)c1ccc(C(C)(C)C)cc1 684255111 JLDKAGPHGRBLAL-IBGZPJMESA-N 440.657 5.154 30 20 IKED COc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2cccc(OCCCC#N)c2)CC3)cc1 727780199 IZRUYQMCTVXFAP-CYVLTUHYSA-N 430.529 5.714 30 20 IKED CC(C)c1nc(C(=O)OCc2ccc(F)cc2C#N)nn1-c1c(Cl)cccc1Cl 729023220 AHBUNYKOAYJJTO-UHFFFAOYSA-N 433.270 5.065 30 20 IKED CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)Cc2ccc(OCC#N)cc2)cc1 731974999 NWQDZAPTSFTCKP-UHFFFAOYSA-N 441.531 5.320 30 20 IKED C#CCN(C(=O)Nc1ccccc1SC)[C@H]1CCOc2ccc(Br)cc21 733614484 DOWPQOATTOORFY-KRWDZBQOSA-N 431.355 5.162 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 733844780 CUBAOIMMZUECIP-OAQYLSRUSA-N 426.476 5.353 30 20 IKED Cc1ccc(-c2nnc([C@H](C)OC(=O)c3cccc(COc4cccc(C#N)c4)c3)o2)cc1 734590946 NBXPGMIUHFIUNE-SFHVURJKSA-N 439.471 5.414 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 735366873 RITHXOAFIFDQHO-KRWDZBQOSA-N 441.375 5.691 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1ccc(Oc2ccccc2F)c(F)c1 736787770 UDPQDRBBSHBHSQ-UHFFFAOYSA-N 439.462 5.160 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=S)Nc3ccc(C#N)c(Cl)c3)s2)cc1 739443419 ISCNNSHGAHLUHD-OAHLLOKOSA-N 441.025 6.342 30 20 IKED CCCCCCOc1ccc(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)cc1OC 739668632 HFJZQACYWCBMJT-UHFFFAOYSA-N 446.551 5.581 30 20 IKED CCOCCOCc1cccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1 740441549 TXYHSBMLOUXBSE-UHFFFAOYSA-N 435.549 5.162 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F 741174318 LXNYKBSCIXKADV-KGLIPLIRSA-N 425.790 5.218 30 20 IKED COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1 741174332 MJBKDNYQVVDALC-UHFFFAOYSA-N 435.867 5.392 30 20 IKED CCCCOc1ccc(/C=C/C(=O)c2c(F)cccc2N2CCOCC2)cc1OCC 741448253 SSOLREUDYURNGH-PKNBQFBNSA-N 427.516 5.136 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN(Cc2ccccc2)Cc2ccccc2C)c1=S 742150069 QEEQTVWULUVAHR-UHFFFAOYSA-N 441.604 5.630 30 20 IKED N#C[C@@H](C(=O)CCCOc1cccc(Cl)c1Cl)C(=O)Nc1ccccc1Cl 743449600 SJNNLCXFEQAMTA-LBPRGKRZSA-N 425.699 5.153 30 20 IKED Cn1c(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1-c1ccccc1 744030163 ZXWOQZXIWQUQGB-NRFANRHFSA-N 435.483 5.446 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC(C)(C)NC(=O)OC(C)(C)C 745926763 LXPQNXOETLDTAR-UHFFFAOYSA-N 438.528 5.084 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccc(F)cc2)c2ccccc2c1=O 746055733 CQLHLLQBSWBNNP-UHFFFAOYSA-N 440.522 5.190 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN(CCc2ccccc2F)C2CCCC2)c1=S 746070471 PKPSMWIQYZAWCZ-UHFFFAOYSA-N 437.588 5.246 30 20 IKED C=C(C)CN1CCC(NC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CC1 746228959 KGJMCGHEXBVJTJ-UHFFFAOYSA-N 438.571 5.704 30 20 IKED C[C@H](C#N)CN(C)Cn1nc(-c2ccc(Cl)cc2Cl)n(Cc2ccco2)c1=S 746706442 WIGCPSYZAQTJHP-CYBMUJFWSA-N 436.368 5.078 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 747108814 TUUTZCTVVANNHH-YPMHNXCESA-N 439.726 5.415 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)n1 747197651 LHNAWZLVWGJEJW-SZVBFZGTSA-N 427.570 5.345 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=S)Nc3ccccc3-c3ccccc3)CC2)c1 751007355 CMVGEBPFSAOUSV-UHFFFAOYSA-N 440.572 5.273 30 20 IKED CON=Cc1ccc(C(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)cc1 752302399 HUVPKBKZYUPSQR-UHFFFAOYSA-N 432.867 5.308 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1 752680621 YMGXSOBSDVCJBD-WIYYLYMNSA-N 435.549 5.442 30 20 IKED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 753889292 CPBYAVURHXODMZ-RKVPGOIHSA-N 431.561 5.442 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3scnc3Br)cc2Cl)c1 754239221 XNGAWOZKPSYKGY-UHFFFAOYSA-N 448.729 5.262 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCC(=O)c1cc(Cl)sc1Cl 756228762 UPIYOFFILIPWIA-CYBMUJFWSA-N 433.316 5.399 30 20 IKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(C3CC(F)(F)C3)C2=O)cc1 757885867 MTDLABQYPCNGFN-IBGZPJMESA-N 443.519 5.061 30 20 IKED N#C[C@H](C(=O)/C=C/c1ccc2ccc(Cl)cc2n1)C(=O)Nc1ccc(F)c(Cl)c1 759209172 NVOMATBGJJWAAO-IQIBNGDESA-N 428.250 5.041 30 20 IKED CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)Cc1cccc(OCC#N)c1 760376483 OKKZNVYIUVRSMJ-UHFFFAOYSA-N 442.437 5.459 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)N[C@@H](CCc3ccccc3)c3ccccc3)CCO2)c1 761669709 OUIIICUFLACTFH-UIOOFZCWSA-N 425.532 5.015 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)c1cccc(C(=O)c2ccccc2)c1 762041377 XDHAAXDSLZCUHI-WZONZLPQSA-N 436.536 6.021 30 20 IKED COc1ccc2c(-c3ccccc3)c(C(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)oc2c1 762296155 PFQZNEDUUTUMDE-XMMPIXPASA-N 438.483 5.194 30 20 IKED C=CCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 764147851 FUBDCIDKDGNVJI-UHFFFAOYSA-N 444.856 5.113 30 20 IKED C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 765945704 MMPHQSODBROPHC-CJAUYULYSA-N 447.510 5.104 30 20 IKED Cc1cc(CSc2ccccc2C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)on1 768172868 ADQABJXYYJTVLE-GOSISDBHSA-N 432.332 5.577 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC[C@@H](c2c(F)cccc2F)C1 769489464 BULTUXREUQAZSD-NDBYEHHHSA-N 444.366 5.373 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)ccc1NC(=O)OC(C)(C)C 772554193 MOVARSAYDSXXHF-OAHLLOKOSA-N 440.450 5.577 30 20 IKED Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 778297343 HRDYKUREJQKRFC-GFCCVEGCSA-N 449.841 5.150 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccccc1O[C@H](C)C#N 780154518 UTBUACMBTFEAHM-GFCCVEGCSA-N 431.439 5.681 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 780159325 IQFJAURUUDGNBH-HNNXBMFYSA-N 426.394 6.041 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 780167206 VGWJDKUWCLWVNW-MRXNPFEDSA-N 434.927 5.338 30 20 IKED N#Cc1cc(NC(=O)c2cccc(F)c2Sc2ccccc2)ccc1N1CCC(O)CC1 781344473 MAFNAPNANIADSB-UHFFFAOYSA-N 447.535 5.062 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(CC2CC2)C(=O)N[C@H]1c1cnc(-c2ccco2)s1 783940140 RAXKVNARIJFVNQ-FQEVSTJZSA-N 437.496 5.019 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=S)Nc3ccccc3-c3ccccc3)ccc21 787200870 ZQGDPFQQCVVOHN-UHFFFAOYSA-N 440.572 5.745 30 20 IKED N#CCSc1ccccc1C(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 787675485 XUSOAUFXTYWJON-UHFFFAOYSA-N 428.557 5.093 30 20 IKED C#CCC1(C(=O)Nc2ccc(Oc3ccccc3S(=O)(=O)CC)cc2)CCCCC1 788451097 YNSNVWCKNXDJIJ-UHFFFAOYSA-N 425.550 5.185 30 20 IKED CN(CCC#N)c1ccc(CN[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1 790622637 LDVMHNCLMBXHRX-QHCPKHFHSA-N 431.502 5.313 30 20 IKED C#CCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccsc1 790735438 LYZHZIPVUZVTAH-SFHVURJKSA-N 445.997 5.084 30 20 IKED CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)OCc2ccccc2C(C)(C)C#N)c1 792800464 QSOFEOHHXWNAMP-UHFFFAOYSA-N 426.944 5.160 30 20 IKED C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)[C@H](O)c1ccccc1 808827811 WSTKEFGSBFUNFN-HJPURHCSSA-N 435.911 5.034 30 20 IKED C#C[C@H](NC(=O)N[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1)c1ccc(Cl)cc1 811860378 LZKYHXVJZNDHDS-JTSKRJEESA-N 449.938 5.057 30 20 IKED C[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)c1ccc(F)c(Br)c1 813063749 BTJGERWQIAYDKN-WFASDCNBSA-N 444.329 5.477 30 20 IKED N#Cc1cc(C(=O)O[C@H]2CCCc3nc(-c4ccccc4)sc32)cnc1C(F)(F)F 815959277 ADWDNWJGLOMYJA-INIZCTEOSA-N 429.423 5.330 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ncc(-c4ccc(C)cc4)o3)n2)cc1 915100155 LMEYPPIRXAXVEP-HXUWFJFHSA-N 427.529 5.891 30 20 IKED Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3nc(C)c(SCC#N)s3)c2c1 916088502 OXHFUWOATPAYCM-UHFFFAOYSA-N 430.558 5.843 30 20 IKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(C2CC2)C1=O)Nc1ccccc1F 916217292 JZXKZSSZDPIXRM-NRFANRHFSA-N 433.508 5.102 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc3ccccc3n2Cc2ccccc2F)c1 916897727 RAMHFOMDEIEYFX-NRFANRHFSA-N 425.463 5.098 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1 916913557 HNWGRDSRNCCFHX-HXUWFJFHSA-N 449.938 5.618 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cccc(NC(=O)c2cccs2)c1 916916273 QZBLWLJCNTVNOV-HXUWFJFHSA-N 439.496 5.115 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)cc1 916955746 UEXYLRZGTLJIGL-OYHNWAKOSA-N 448.954 5.617 30 20 IKED CCOc1ccccc1-c1nnc(S)n1N=Cc1ccccc1OCc1ccccc1 917029346 DDFCJKUIXQZNPM-UHFFFAOYSA-N 430.533 5.094 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cs1 917561343 BTXKPRSVDSIQGY-JXMROGBWSA-N 427.869 5.285 30 20 IKED CCOc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3nc4ccccc4s3)o2)cc1 917589797 QIBGCEAXDREHHC-UHFFFAOYSA-N 447.545 5.384 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3cccc(Br)c3)n2)cc1 920140671 JGZAXMNGDAAELY-GOSISDBHSA-N 436.334 5.253 30 20 IKED Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 920141492 PCYDWJWMYAYHNL-UWJYYQICSA-N 429.545 5.757 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 920269443 VSXKASADZZUMCL-HXUWFJFHSA-N 447.951 5.080 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3ncccc3-c3ccccc3)CCC2)cc1 1785934790 CNKUAGYYRZIMCW-UHFFFAOYSA-N 438.531 5.046 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)[C@H](C)Sc3ccccc3)CCC2)cc1 1786676478 KSRWKOCZXUGMDA-SFHVURJKSA-N 440.634 5.221 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ncccc34)cc2)CCC1 1788950287 TYVVIOYEQOWQSA-UHFFFAOYSA-N 428.536 5.079 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(C)cc(F)c3F)cc2)CCC1 1790799038 QDPSWOYJHXVRKI-UHFFFAOYSA-N 442.506 5.004 30 20 IKED C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC(c2ccc(Cl)cc2)CC1 1793211115 MIDQSYGEJCCHGU-LGJLXVPLSA-N 441.015 5.056 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cc(Cl)ccc1Cl 1801468746 AOSWGPOBVQZIMK-WOZUAGRISA-N 449.422 5.333 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(F)cc3Cl)C2)CC1 1806557303 OCORMMJNNOUDME-NRFANRHFSA-N 446.994 5.021 30 20 IKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)C1 1806681712 NAYRRTRWTPTHSN-UHFFFAOYSA-N 448.632 5.118 30 20 IKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818165059 AOHUSBBRUWTQSU-SFHVURJKSA-N 438.915 5.205 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cnccc3c2)CC1 1828201181 IEWFFUIKEGOMKW-SANMLTNESA-N 445.607 5.237 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)ccc2F)CC1 1828824439 KZZSBSQEZAGPJQ-NFBKMPQASA-N 446.994 5.481 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(C)C)cc2)CC1 1830061360 ZIBDGSOFDGABLV-QFIPXVFZSA-N 432.555 5.255 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC2CCC(C)(C)CC2)CC1 1831447227 QAJIVWYNBXTLJU-OAQYLSRUSA-N 438.603 5.424 30 20 IKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)COC(=O)c3cccnc3Cl)c2C#N)C1 10801825 NPVMEEKRDSQPJH-ZDUSSCGKSA-N 445.972 5.005 30 20 IKED C=CCN(C(=O)c1cnc2ccccc2n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 18085202 XDDAWNYKTIHZDG-UHFFFAOYSA-N 441.343 5.893 30 20 IKED Cc1cc(C)cc(-c2nnc(SCCC(=O)Nc3sc4c(c3C#N)CCCC4)o2)c1 45698594 ZLROAHAMUMURFX-UHFFFAOYSA-N 438.578 5.286 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N(CCC#N)Cc3ccco3)cc12 57614689 AUOHRZZLRRKBEW-UHFFFAOYSA-N 438.940 5.257 30 20 IKED C=CCN(C(=O)CCC1CCCCC1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 60641506 OGUMDIAOHHVVIB-UHFFFAOYSA-N 432.611 5.093 30 20 IKED CCc1cc2c(CNc3ccc(Oc4ccc(C#N)cc4OC)cc3)cc(=O)oc2cc1O 72074641 GRIPGIIFEWQJTI-UHFFFAOYSA-N 442.471 5.346 30 20 IKED C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 108374938 CAJGVVPMTQBHTC-HOYKHHGWSA-N 439.515 5.178 30 20 IKED Cc1c(C#N)c(NC(=O)CS[C@H](C)c2ccc(Cl)cc2)n(Cc2ccco2)c1C 109369299 HOILIAHJKVQNTI-MRXNPFEDSA-N 427.957 5.704 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)c1nc(N)c2c(C)c(C)sc2n1 110966990 NOUUUPRENREUFX-HNNXBMFYSA-N 436.610 5.112 30 20 IKED N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SCc1csc(-c2cccs2)n1 115148033 ZEHPMJGUGJIRLS-UHFFFAOYSA-N 449.586 5.265 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nc2cc(Cl)ccc2s1 216009793 YYEGERWQWTZNJZ-ZDUSSCGKSA-N 440.893 5.471 30 20 IKED Cc1cc(SC2CCCCC2)ccc1NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 302972367 BMBJBKHNBMJWDR-UHFFFAOYSA-N 447.608 5.522 30 20 IKED C[C@H](NC1(C/N=C(/N)Nc2cccc(Oc3ccccc3)c2)CCOCC1)c1ccccc1 304750463 ILTVEGAREAWHEL-NRFANRHFSA-N 444.579 5.106 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)cc1 409804747 CPGGPGPHQKSBCG-BWKNWUBXSA-N 427.504 5.640 30 20 IKED Cc1c(COc2ccccc2)cccc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 428621628 JXOXKQYBIFRXIV-UHFFFAOYSA-N 436.515 5.604 30 20 IKED COc1cc(Cl)c(Br)cc1C(=O)Nc1ccccc1SCCC#N 428721585 UBRXUWWZPPUTDM-UHFFFAOYSA-N 425.735 5.369 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O 429757132 JLEHKVGXDOHQBY-OUPRXKBMSA-N 441.572 5.115 30 20 IKED Cc1ccc(C)c(CN(C)C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 430008094 SUDFRPCCKSBYTL-QHCPKHFHSA-N 445.950 5.209 30 20 IKED Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)Nc1ccccc1SC[C@H](C)C#N 430521878 FKIZPAHUPUJNOU-GFCCVEGCSA-N 446.359 6.461 30 20 IKED CCOC(=O)c1ccc(C#N)c(S[C@@H](c2ccccc2)c2nc(-c3ccccc3)no2)n1 435232277 KHIMSZPSJPGVNQ-FQEVSTJZSA-N 442.500 5.062 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)N(C)Cc3nnc(-c4cccc(C#N)c4)o3)s2)cc1 441479268 VBRYRJUYNJHKQX-KRWDZBQOSA-N 429.549 5.542 30 20 IKED CC[C@@H](N[C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F)c1ccc(C#N)cc1 447577667 AXJZQVGAMJJKML-DNQXCXABSA-N 440.515 5.070 30 20 IKED C[C@@H](C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c1ccc(Br)s1 463289665 SOFZMKSLXKWHLA-LLVKDONJSA-N 431.277 5.077 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)CCc2nc3cc(Br)ccc3s2)cc1 463415359 QGHXNCPMTQLAJX-UHFFFAOYSA-N 428.355 5.431 30 20 IKED CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)NCc1cc(C#N)ccc1F 466190432 ASIAHYHNJJLVGK-UHFFFAOYSA-N 445.416 5.708 30 20 IKED C=CCCN(C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(OC)c1OC)CC2 468185300 CRBWVCCQUOLUBM-ISLYRVAYSA-N 428.532 5.387 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N(CCC(F)(F)F)CC(F)(F)F)cc1 468525879 AMEHMNAUXKXPBR-UHFFFAOYSA-N 434.311 5.447 30 20 IKED C[C@H](SCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cn(-c2ccccc2)nn1 471435124 GNGWWHQSQWGAKB-SJORKVTESA-N 437.594 5.094 30 20 IKED Cc1nc(C(=O)Nc2ccc(Oc3nc(C(C)(C)C)ns3)c(Cl)c2)ccc1C#N 474405684 DNLKFZFIBIFFRJ-UHFFFAOYSA-N 427.917 5.109 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cccnc3-c3ccc(Cl)s3)o2)cc1 474530489 GHUVBVDZBCGIGQ-UHFFFAOYSA-N 435.892 5.759 30 20 IKED COc1ccc(CNc2ccc(N3CCCCC3)c3ncccc23)cc1OCCCC#N 475359090 UMEIVPTXQFHLJC-UHFFFAOYSA-N 430.552 5.528 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2OC(F)F)nnc1-c1ccccc1C 481390819 MSUJRAAERLIIJV-OAHLLOKOSA-N 444.507 5.160 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc3ccccc3c2)nnc1-c1cccs1 481391168 GTHUEYHUAOYYSQ-INIZCTEOSA-N 434.590 5.315 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(F)c(F)c3)n2)nc2sc(C)c(C)c2c1=O 483297281 NGYJNWPEYYFINK-UHFFFAOYSA-N 445.516 5.486 30 20 IKED CCC(C)(C)OCc1cccc(NC(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)c1C 483524441 VEVILAFVHBAEFB-INIZCTEOSA-N 443.569 5.030 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C 484595244 ZLGBFEZUHOLKIH-QGZVFWFLSA-N 425.554 5.053 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCOCC(F)(F)C(F)(F)F 485980400 QVVVGQFPJBZWCC-UHFFFAOYSA-N 428.357 5.202 30 20 IKED N#CC1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc(Cl)cc2)CCC3)CC1 490029410 JWAYOSAAJVYUIY-SILNSSARSA-N 441.962 6.141 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](c3cccc(F)c3)c3ccccn3)cc2)cc1 499552805 FWWVFEMGGFEAIH-RUZDIDTESA-N 438.462 5.796 30 20 IKED CC(=O)Nc1ccc(-c2noc(CSCc3ccc(C#N)cc3)n2)cc1C(F)(F)F 499621423 YLNWZMUURUIGEW-UHFFFAOYSA-N 432.427 5.019 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 499723855 GBTSYALNOYBOOB-HSZRJFAPSA-N 437.975 5.390 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 504797348 QBBQDOLTDIAUDE-HNNXBMFYSA-N 433.449 5.152 30 20 IKED N#CCCn1cc(C(=O)CN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c2ccccc21 505815465 NAUNGJFRPDQACO-UHFFFAOYSA-N 426.495 5.147 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3nc4cc(Br)ccc4o3)o2)cc1 506437175 AOMVQSJCSVFESO-UHFFFAOYSA-N 444.310 5.497 30 20 IKED C=CCn1c(S[C@@H](C)c2nnnn2-c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 509612328 BMIFUOHFSAYPGS-KRWDZBQOSA-N 445.596 5.258 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 510700045 KYIUVJGPESOUFJ-LOSJGSFVSA-N 445.494 5.840 30 20 IKED N#Cc1cnc(Sc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)c(Cl)c1 513624982 NGJVFUSRJJFMFI-UHFFFAOYSA-N 428.304 5.311 30 20 IKED C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]1c1ccccc1OC 516817628 FUOICBKABIDQOB-IBGZPJMESA-N 436.581 5.115 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](Nc3ccccc3)C2)cc1Cl 517896648 LQKYBYYLDXVEBO-GMAHTHKFSA-N 430.939 5.714 30 20 IKED Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1 518056917 SGTHGEDPZFUHKM-QRWLVFNGSA-N 438.984 6.294 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 518660090 IOFYPLOEYZKROD-HNNXBMFYSA-N 436.558 5.690 30 20 IKED C=CCN(C(=O)Nc1cccc(Oc2ccccc2)c1)[C@H](C)c1cccc(-n2cnnn2)c1 520194826 HASYWPPENWKCPT-LJQANCHMSA-N 440.507 5.236 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 521075928 ZYEFIJZZMIBXTP-GOSISDBHSA-N 427.529 6.192 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)cc1Cl 521695278 OERVVMLDQQCNSH-QUCCMNQESA-N 440.334 5.324 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2csc(Nc3ccccn3)n2)cc1 522938812 VSCBSHYPHXPNNQ-UHFFFAOYSA-N 441.516 5.179 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)c1 523945988 OOYBFNSDMZWNJE-UHFFFAOYSA-N 431.879 5.531 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cnc([C@H]4CCCO4)s3)cc2Cl)c1 535521069 QBCQXEUBKLCPPR-LJQANCHMSA-N 439.924 5.351 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC1CCN(CC2CCCC2)CC1 535758496 UALQRZQHKMMABL-UHFFFAOYSA-N 446.595 5.222 30 20 IKED CC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1Cl 536379035 SBZBEHZOTMHSID-UHFFFAOYSA-N 440.286 5.868 30 20 IKED CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 537840889 JRSANIJWHQLYAY-AVRWGWEMSA-N 447.510 5.368 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1sc(-c2ccccc2)cc1C#N 540875723 CQOTYKAISIBRLP-LBPRGKRZSA-N 432.471 5.405 30 20 IKED Cc1cc(Oc2ncccn2)ccc1NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 541065450 IZPYMLZJWDMFRA-IBGZPJMESA-N 449.514 5.999 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(CCCn3ccnc3)CC2)cc1F 542108258 VIMVPPCFYVHSLR-UHFFFAOYSA-N 447.514 5.410 30 20 IKED CCN(CC)C(=O)Nc1ccc([C@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 542996165 VZYVYIPWSSWXOY-SFTDATJTSA-N 440.591 6.511 30 20 IKED N#C[C@H](C(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)c1nc2ccccc2n1C(F)F 543211022 SOMKFTURPGNPRU-CYBMUJFWSA-N 446.335 5.595 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(Oc2nc(C)cs2)c(F)c1 548059862 MDSUVQVMIOPOFG-UHFFFAOYSA-N 441.484 5.061 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CC[C@@H](COCc2ccccc2)C1 549677626 GQAJPYGNNSAPES-JOCHJYFZSA-N 439.563 5.113 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ncoc1-c1cccc(C(F)(F)F)c1 553119599 RCUNEGZYRWVNSU-UHFFFAOYSA-N 432.446 5.356 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3nc(-c4ccco4)c(-c4ccco4)s3)on2)c1 566836523 RFWJOIHCMQDUBB-UHFFFAOYSA-N 428.429 5.442 30 20 IKED Cc1noc2nc(C(C)C)cc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c12 587988857 ZRVPXPVGADPHLW-ZDUSSCGKSA-N 444.438 5.773 30 20 IKED CC[C@](C)(C#N)C(=O)Nc1cc(-c2nc3ccc(Br)cc3[nH]2)ccc1Cl 588938578 LIFIMHXMMPLQNV-LJQANCHMSA-N 431.721 5.524 30 20 IKED N#C[C@@H](C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2cc(F)ccc2s1 592974421 RYKUYVZXBVGPOQ-LBPRGKRZSA-N 432.320 5.963 30 20 IKED C=CCn1c(Sc2ccc(C#N)cn2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 602372463 LKKAHABILJSJFD-UHFFFAOYSA-N 434.521 5.176 30 20 IKED CC(C)C(=O)Nc1nc(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cs1 603751437 XGRODOMKMDGKPK-CYBMUJFWSA-N 444.626 5.003 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)[C@@H](Oc1ccccc1Br)c1ccccc1 603755358 PFNFVNZVXSYNHR-QFIPXVFZSA-N 435.321 5.099 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)C3(c4ccc(F)cc4)CC3)s2)c(C(F)(F)F)c1 603758592 SICIYDWZALGZPQ-UHFFFAOYSA-N 445.441 5.434 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H](c2ccccc2)C(F)(F)F)cc1 604094899 WNMSNJYCBDPSMO-JOCHJYFZSA-N 439.437 5.757 30 20 IKED CC(C)CC(=O)Nc1ccc(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 604454911 RUUIJYYVZKKCDF-UHFFFAOYSA-N 433.537 5.234 30 20 IKED C=CCCCCCN(C)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 606980587 NDWHQHSVRHOYTK-FPOVZHCZSA-N 425.539 5.476 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 607538624 FMJMSQPDXFASKB-FOIQADDNSA-N 438.515 5.145 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 609402843 CTXPBDSYEOMUPA-LAUBAEHRSA-N 443.016 5.550 30 20 IKED Cc1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c(OCC(F)(F)F)c1 609643074 JUHSJSSCQNYINT-UHFFFAOYSA-N 440.421 5.639 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N(Cc3ccc(F)cc3)CC3CC3)c2)cc1 609682074 HOYQUZJTPLXMFW-UHFFFAOYSA-N 443.522 5.915 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)cc1 609702469 MRPFKEOIZOZNHV-JOCHJYFZSA-N 445.563 5.388 30 20 IKED CC(=O)Nc1cccc2c1CCCN2C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 609723703 UZMPEMJQSYYLLR-UHFFFAOYSA-N 445.906 5.555 30 20 IKED CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 609826568 HTBJVUGHWVKRBT-YKSBVNFPSA-N 435.568 5.294 30 20 IKED CC(C)n1c(CCNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)nc2ccccc21 609885408 AECCKILEDHTFMU-UHFFFAOYSA-N 438.531 5.448 30 20 IKED COCCCOc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 610224419 PYOPJDIEPNAYCB-QHCPKHFHSA-N 434.923 5.663 30 20 IKED C[C@@H](N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cccc(C#N)c1 610346593 YBOBNNTVPJLZPI-QRQCRPRQSA-N 434.883 5.150 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H](C[C@@H]4CCOC4)C3)c2)cc1 611357226 LMYZCAPOMMJGTK-GMAHTHKFSA-N 433.552 5.002 30 20 IKED C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 622378916 AOELTWKKLDHFOI-JTQLQIEISA-N 437.302 5.107 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2OC)C(C)C)nnc1-c1ccccc1F 639394641 NVMCWIRXXZRZFX-HXUWFJFHSA-N 440.544 5.034 30 20 IKED O=C(CCc1ccc(OC(F)F)cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642157962 MIAVMQWSHHQZSY-VXGBXAGGSA-N 433.339 5.246 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2ccc(Cl)cc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 677468011 WYHHFRKAAGEMEG-CQSZACIVSA-N 446.841 5.644 30 20 IKED CC(C)Oc1cc(F)ccc1NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 679353590 FZYZFATVDPQQOI-PJXYFTJBSA-N 430.364 5.644 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 726755374 JZUFCJGWMZKWPV-UHFFFAOYSA-N 432.936 5.141 30 20 IKED C[C@H](OC(=O)c1csc(-c2ccccc2Cl)n1)C(=O)Nc1ccc(C#N)c(Cl)c1 727563248 IXENCSFFDFGVGK-NSHDSACASA-N 446.315 5.173 30 20 IKED N#C[C@H](C(=O)CCc1cccc(OC2CCCC2)c1)C(=O)Nc1ccc(F)c(Cl)c1 727954170 LMDSODYHZIZNEB-LJQANCHMSA-N 428.891 5.081 30 20 IKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(CCCCC#N)C2=O)cc1 728778923 VUHDQNSAYRAGLR-QFIPXVFZSA-N 448.592 5.266 30 20 IKED C#CCN(C(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)C1CCCCC1 729054917 QEPXSENCZNFSQU-UHFFFAOYSA-N 426.564 5.076 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccccc3Cl)o2)cc1 730937479 TZXJSKHFLWYGBW-OAHLLOKOSA-N 426.929 5.126 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)s1 730953846 WMJFMPAEZVVUTA-AWEZNQCLSA-N 426.592 5.330 30 20 IKED Cc1sc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)c(C#N)c1C 730956897 SHTWHZZDBYYCQP-UHFFFAOYSA-N 442.278 5.011 30 20 IKED COc1ccc2nc(C)c(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cc2c1 730995765 STWMFPWTSQFPLL-UHFFFAOYSA-N 445.466 5.829 30 20 IKED COc1cc(C=NNc2ccc(Cl)c(C(=O)O)c2)cc(OC)c1OCc1ccccc1 732764576 HAKXOFYOFLJJCW-UHFFFAOYSA-N 440.883 5.080 30 20 IKED CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)CCCCOc2cccc(C#N)c2)C1 734107307 HYNSISYXEZBZIX-UHFFFAOYSA-N 449.551 5.039 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)cc1OC 734406672 SWBYJIQIEJADSP-XIPLCYGWSA-N 447.556 5.220 30 20 IKED CSc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccc(COc2ccc(C#N)cc2)c1 734585987 LIZYNGMZFOKJIE-QGZVFWFLSA-N 446.528 5.043 30 20 IKED Cc1cccc2c(O)nc(COC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)nc12 735164353 WVUSRGICAJJUPM-UHFFFAOYSA-N 445.862 5.318 30 20 IKED COc1ccccc1-c1nn(CN(CC#N)C2CCCC2)c(=S)n1-c1ccc(C)cc1 738254167 GPOLQEKSFZBDNF-UHFFFAOYSA-N 433.581 5.113 30 20 IKED Cc1ccc(Sc2ncccc2C(=O)OCc2nnc(-c3cccc(C#N)c3)o2)c(C)c1 741828905 HPEIZRIXZWAMEM-UHFFFAOYSA-N 442.500 5.128 30 20 IKED Cc1cc(F)ccc1-c1ccc(/C=C\C(=O)c2ccc(S(=O)(=O)CC(F)F)cc2)o1 741851583 AQEQZVPQYGCFCF-YHYXMXQVSA-N 434.435 5.329 30 20 IKED C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)Nc1cccc(OCC#N)c1 743101859 BFDXEYCWBSCXMN-QGZVFWFLSA-N 439.968 5.969 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](CC(C)C)c2ccc(Cl)cc2)ccc1OC 745819028 IDQJEKNZDSAHKC-SFTDATJTSA-N 443.975 5.616 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2c(C)nn(C(C)C)c2C)cs1)c1ccc(F)cc1F 746345575 HTGNROFQUDVANK-CLFYSBASSA-N 444.507 5.396 30 20 IKED CC(C)(CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(Cl)c1 747007098 GLUWAMNDPWSOTN-HSZRJFAPSA-N 445.950 5.028 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC2CCN(Cc3cccs3)CC2)cc1 747295716 YNNSVDIZIYSOEM-VWLOTQADSA-N 444.604 5.437 30 20 IKED CN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 749006777 FEPVATWBSCSTEE-OAQYLSRUSA-N 444.362 6.422 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(Cn3nc(C)cc3C)c2)cc1 749047132 CTPBESZVLZNOAI-MZNJEOGPSA-N 428.536 5.023 30 20 IKED Cc1oc(-c2ccco2)nc1CC(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 750396694 FENRZCYKEANJLP-GVMKUJSRSA-N 447.560 5.586 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CC[C@H]3c3ccc(Cl)cc3)s2)cc1 752193485 FYFQZURGJVWTOD-KRWDZBQOSA-N 441.969 5.334 30 20 IKED CCN(C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1ccc(C#N)c(Cl)c1 755372922 RSNYQODELCONEV-HSZRJFAPSA-N 430.891 5.333 30 20 IKED C#Cc1cccc(N(C)Cc2csc(N(C(C)=O)c3cccc(C(F)(F)F)c3)n2)c1 756510301 UUCKGUXQFVHDKV-UHFFFAOYSA-N 429.467 5.464 30 20 IKED COc1ccc(CN[C@H](C)c2sc(-c3ccccc3Br)nc2C)cc1C#N 757704147 YGSBXOZQEOQHQW-CYBMUJFWSA-N 442.382 5.612 30 20 IKED COc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)sc1Br 758410198 ODEFGPAWWBDJOB-MRXNPFEDSA-N 427.323 5.427 30 20 IKED Cc1cc(Br)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1 766840025 GITFGWNGMRYMFO-OAHLLOKOSA-N 439.281 5.033 30 20 IKED C#CCCN(CC(F)(F)F)C(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 767202955 QQPRTOUOYHSEIS-UHFFFAOYSA-N 446.853 5.129 30 20 IKED C=C(C)C[C@H](C)C(=O)OCc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1 767698928 JILHGHKXOGQQMA-LBPRGKRZSA-N 427.353 5.780 30 20 IKED CCn1c(NC(=S)Nc2ccc(C#N)c(Cl)c2)nc2ccc(Br)cc21 770594408 JEYJMROXVAUZHK-UHFFFAOYSA-N 434.750 5.153 30 20 IKED C[C@@H](CCC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)NC(=O)OC(C)(C)C 774051523 BCJQGJZDLGONKK-WCQYABFASA-N 441.475 5.185 30 20 IKED Cc1oc(-c2ccccc2F)nc1C(=O)OC[C@H](C#N)Cc1cccc(Br)c1 774389902 CPINNYNZVBDADM-HNNXBMFYSA-N 443.272 5.091 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1cccc(Cl)c1 777304550 RLJCTXSRDMUHCD-KRWDZBQOSA-N 447.709 5.102 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NOCc1ccc(F)cc1Br 782039454 OGXDAZLQZHCPJT-LBPRGKRZSA-N 438.322 5.236 30 20 IKED COc1ccc(NN=Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)cc1Cl 782230394 HMPLXNWETNYSEI-UHFFFAOYSA-N 435.336 5.589 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc2cc(Br)cc(C)c2o1 783068395 TXCYQWMOSMBOOM-MRXNPFEDSA-N 435.277 5.499 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C\C(=O)c1ccc(C(=O)N(C)C)cc1 792926274 WIFRPCOBHRVGFB-SEYXRHQNSA-N 442.346 5.145 30 20 IKED Cc1nn(-c2ccccn2)c(Cl)c1C=NNc1nc2cc(C(F)(F)F)ccc2s1 794914205 IHNAMMXFLULUDC-UHFFFAOYSA-N 436.850 5.304 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c1=S 795687056 JFUPXUKNWVFHQI-DNVJHFABSA-N 431.609 5.278 30 20 IKED N#C[C@H](C(=O)Cc1csc2ccc(Br)cc12)C(=O)Nc1ccc(Cl)cc1 796635305 YXQZTKCQZKOOEI-MRXNPFEDSA-N 447.741 5.207 30 20 IKED Cc1cc(C(=O)COC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)c(C)n1CC(F)(F)F 801897725 JGCRAGZJKMCQMN-INIZCTEOSA-N 439.327 5.123 30 20 IKED C[C@@H](NC(=O)N1CCC[C@@](CO)(c2ccccc2)C1)c1ccc(-c2cccc(C#N)c2)cc1 802289281 BTMRGZMWDNVELY-LYZGTLIUSA-N 439.559 5.022 30 20 IKED Cn1c2ccccc2c2cc(C(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)sc21 803556521 JBHLIPNTNQTZQE-UHFFFAOYSA-N 433.508 5.087 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(F)c(C(F)(F)F)cc2F)cc1 804276343 NUQRXCXFSPJRKJ-UHFFFAOYSA-N 446.375 5.881 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)cc1 806201033 ROZYCDYWYSRWLP-YADHBBJMSA-N 439.437 5.216 30 20 IKED C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C 806210498 RYVWIZOWWLKRAC-JOCHJYFZSA-N 426.520 5.395 30 20 IKED CC(C)(C)OC(=O)N1CCC(c2noc(-c3cn(CCCC#N)c4ccccc34)n2)CC1 809336823 VFIXSZHOQUWDJF-UHFFFAOYSA-N 435.528 5.110 30 20 IKED CC1(C)COc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc21 810529593 KDOVFMUKPDUGSQ-LJQANCHMSA-N 426.472 5.110 30 20 IKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)OC1(CC#N)CCC1 810858098 LBSRCYPIDKTZQB-CQSZACIVSA-N 439.562 5.065 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](NC(=O)C1(C#N)CCCCC1)CC(C)(C)O2 811954036 UPUKSLLNCWDKBE-GOSISDBHSA-N 427.545 5.226 30 20 IKED N#CCCC[C@@H](NC(=O)COc1ccc(C2SCCCS2)cc1)c1ccccc1 817318702 GQNFFESLOOBURP-OAQYLSRUSA-N 426.607 5.485 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nc(-c2ccc(F)cc2)cs1 852999397 AGDQCOTYXGNQLE-HNNXBMFYSA-N 441.553 5.385 30 20 IKED CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccccc1SCc1ccc(C#N)cc1 857208253 VUTQADORNDJEFS-UHFFFAOYSA-N 449.963 5.215 30 20 IKED Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C(C)C)cc1 915087557 VFJVXDOPZMFMDL-RPBOFIJWSA-N 425.532 5.044 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1nc(-c2ccccc2)cs1 915102527 WEZHPNWGWZRNKA-UYAOXDASSA-N 449.963 5.192 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 915106706 FFYMCTFWVKEXBH-HNNXBMFYSA-N 439.853 5.128 30 20 IKED CCc1ccc([C@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C(C)C)cc1 915734140 GQXNAPWKARKUDA-IZZNHLLZSA-N 439.559 5.356 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)/C=C/c2ccc3ccc(Cl)cc3n2)cc1 915902845 MUXHNKMIKZBKJW-MDZDMXLPSA-N 429.829 5.364 30 20 IKED CCOc1cc(C=Nn2c(S)nnc2SCc2ccccc2)ccc1OCC(C)C 916368865 SAAXVMWGVSVMRZ-UHFFFAOYSA-N 442.610 5.175 30 20 IKED CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 916708074 IGFXWCPJBUXOLD-RUZDIDTESA-N 430.527 5.077 30 20 IKED Cc1ccc(C(C)C)c(O[C@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1 916886657 IKPSBVKBYUKMLY-DNVCBOLYSA-N 446.519 5.548 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1 916896395 GGKAPYDZVDVZJG-LJQANCHMSA-N 439.393 5.162 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(COc2ccc(Cl)cc2)cc1 916912105 YWMRTOHDLPOJGZ-LJQANCHMSA-N 439.298 5.534 30 20 IKED N#C[C@@H](C(=O)CCSc1nc2ccccc2s1)c1nc2cc(Cl)ccc2s1 917046605 LHBZKMOAZBXDEJ-LBPRGKRZSA-N 429.979 5.918 30 20 IKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)CCC2)cc1 1787646349 XKESSDTYIMRJHP-UHFFFAOYSA-N 433.895 5.261 30 20 IKED Cc1c(C(=O)NC2(c3ccc(NC(=O)CCC#N)cc3)CCC2)[nH]c2c(Cl)cccc12 1787885705 DLOUBFXGZAFFFZ-UHFFFAOYSA-N 434.927 5.181 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc(C(F)(F)F)c3)CCC2)cc1 1792268649 VICRXVLFUVOXET-UHFFFAOYSA-N 432.417 5.006 30 20 IKED C#CCCCCC(=O)N1CCC2(CCCN(C(=O)[C@@H](c3ccccc3)[C@H](C)CC)C2)CC1 1809158627 HGAIKEUZYPQHCS-ZEQKJWHPSA-N 436.640 5.241 30 20 IKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc3ccc(C)cc3s2)[C@H]1c1cccnc1 1812221363 KIEYZMDEBLVYJG-SNYIIPAISA-N 447.604 5.137 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](CC)c2ccccc2)n[nH]1 1816737772 ZMYSCRGOWVKDEQ-XJUOHMSHSA-N 434.584 5.364 30 20 IKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC2CCC(C)(C)CC2)n[nH]1)C(F)(F)F 1820979001 FEPINXRCWKTXHP-QGZVFWFLSA-N 440.510 5.127 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC)cc2C)CC1 1824143287 KMXABRBEOZBSDN-RUZDIDTESA-N 438.612 5.005 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccsc2)CC1 1825301264 PQUKFNKPXLLKAF-XSOUEMDHSA-N 426.626 5.149 30 20 IKED Cc1ccsc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1825787023 UXJUNYLLDSAGRY-CVDCTZTESA-N 449.620 5.231 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ncccc23)CC1 1829066580 KEVRYQOBRRQMBC-RUZDIDTESA-N 447.623 5.461 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)n(C2CCCC2)c1C 10848902 OTYMYGJGHMVQTA-UHFFFAOYSA-N 438.528 5.617 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2C)nc2sc(C)c(C)c2c1=O 16715560 OEUVUAZBXYGPEZ-CQSZACIVSA-N 448.013 5.342 30 20 IKED C=CCn1c(C)nnc1S[C@H](C)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 21140560 OTGCNUAVZGQUNO-OAHLLOKOSA-N 449.605 5.477 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCCN2CCc3ccccc3C2)cc1 32399268 ZOORSYIQPXAAQU-UHFFFAOYSA-N 441.600 5.029 30 20 IKED C=CCn1c(SCc2nnc(-c3ccccc3Cl)o2)nc2cc(Cl)ccc2c1=O 58085018 VRYWRRNPPMKBOH-UHFFFAOYSA-N 445.331 5.232 30 20 IKED Cc1ccc(NC(=O)CNC(=O)c2ccccc2Sc2ccccc2C#N)c(Cl)c1 63601163 DJWYKJQUVQIWCV-UHFFFAOYSA-N 435.936 5.040 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c(C)n1-c1cccc(Cl)c1 195662808 CGVGTWISFPAGOJ-FQEVSTJZSA-N 432.936 5.756 30 20 IKED COc1cc(CNCc2cccc(C#N)c2)ccc1OCc1ccc(Br)cc1 237108278 YNKQSVWBZVBIQP-UHFFFAOYSA-N 437.337 5.198 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3S[C@@H](C)CC#N)s2)cc1 303288630 AQILDUMYPUATSP-HNNXBMFYSA-N 437.590 6.164 30 20 IKED C=CC[C@H](CC)NC(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 410136449 RWNHNTOBYXOCPV-ZBFHGGJFSA-N 427.595 5.157 30 20 IKED C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)Nc1cc(C#N)ccc1OC(F)F 426754014 MWHYGLOYTMGQLD-NSHDSACASA-N 433.867 5.481 30 20 IKED Cc1ccc(-c2c(C)sc3nc(CN[C@@H](CCCC#N)c4ccccc4)nc(O)c23)cc1 433009387 HLXISSXVAWNZCA-NRFANRHFSA-N 442.588 6.206 30 20 IKED N#CCCC[C@@H](NCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)c1ccccc1 433027952 AJPHSBFLDNURGH-CTNGQTDRSA-N 432.549 5.044 30 20 IKED Cc1nn(CC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1-c1ccccc1 435563924 GFGUZRKIAALNSK-UHFFFAOYSA-N 436.515 5.142 30 20 IKED COc1ccc(C[C@H](NC(=O)N[C@H](CCC#N)c2ccccc2)c2ccc(OC)cc2)cc1 440208864 AUAAOKOIYJKPNY-FTJBHMTQSA-N 443.547 5.332 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2cccc(Br)c2Cl)c1C#N 445557032 JOQYIJHUURBCAO-UHFFFAOYSA-N 447.745 5.134 30 20 IKED CC[C@H](c1ccccc1)N1CC(=O)N(c2ccc(OCc3cccc(C#N)c3)c(F)c2)C1=O 445957889 UDMRMNJIXPSXSP-HSZRJFAPSA-N 443.478 5.196 30 20 IKED Cc1sc(Br)cc1S(=O)(=O)Nc1ccccc1S[C@@H](C)CC#N 447329664 AFBJCCOBIOLVTF-JTQLQIEISA-N 431.402 5.014 30 20 IKED N#Cc1cnc2ccc(Cl)cc2c1N1CCO[C@H](c2ccc(Br)cc2)C1 462373325 VUZUDTONALDAAP-IBGZPJMESA-N 428.717 5.100 30 20 IKED N#C[C@H](C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)c1cc(C(F)(F)F)ccn1 464473315 GRKVSZUIGZXYMQ-LBPRGKRZSA-N 425.197 5.083 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 468450896 QAIAMMIJTRREHE-JOCHJYFZSA-N 442.588 5.185 30 20 IKED CC(C)[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(C(F)(F)F)c1 469356686 PLYFWUAEZKHGBQ-HSZRJFAPSA-N 429.486 6.098 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](Oc3ccncc3)C2)cc1Cl 469511922 JPJITCQJAAGJSM-RBBKRZOGSA-N 432.911 5.076 30 20 IKED Cc1nc(CC2CC2)sc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 473585668 DVBDEQBESVGGJP-UHFFFAOYSA-N 425.501 5.681 30 20 IKED CC[C@@H](C)Oc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c1 476180504 YQSVAYTZMFXLQS-QGZVFWFLSA-N 429.476 5.105 30 20 IKED N#CC[C@@H](CC(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1)c1ccccc1 477133423 FRBARULMXVYMKC-HNNXBMFYSA-N 427.291 5.602 30 20 IKED Cc1coc(-c2cc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)ccc2C)n1 478522369 MOBLWHLXLXBCND-UHFFFAOYSA-N 439.519 5.605 30 20 IKED N#Cc1ccccc1N1CCCN(C(=O)c2csc(-c3cccc4ccccc34)n2)CC1 479815678 MAVCEMNUFYITAV-UHFFFAOYSA-N 438.556 5.187 30 20 IKED C[C@@H](NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1c(F)cncc1F 481328319 BRTAFVBNRQWSAJ-CLAHSXSESA-N 427.295 5.042 30 20 IKED C=C(C)Cn1c(SCC(=O)N(C)c2cc(Cl)cc(Cl)c2)nnc1-c1ccco1 482230897 YLQAKPPQPFAFOC-UHFFFAOYSA-N 437.352 5.176 30 20 IKED N#Cc1ccc(CN(C(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)C2CC2)cc1 482403940 UTFNZDMLRVELBY-GOSISDBHSA-N 441.375 5.555 30 20 IKED C=CCN(C(=O)COc1ccc(F)cc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 483176337 GRAOHDJOBIKIDZ-UHFFFAOYSA-N 447.875 5.109 30 20 IKED CC(C)(C#N)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 483485219 MCAOJDXCOULBQO-KRWDZBQOSA-N 440.355 6.408 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N(CCC#N)Cc1ccco1 486341539 ZQJBDGHHKNBINW-UHFFFAOYSA-N 448.548 5.174 30 20 IKED Cc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nc(C(F)(F)F)n1 488660183 WATBQRJXXDECGV-MRXNPFEDSA-N 430.817 5.365 30 20 IKED C=CCOc1ccccc1CN[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C 492159446 OTZHQWZTOMOFSM-AREMUKBSSA-N 435.589 5.151 30 20 IKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1 498321118 YPDOSLUQXHRIBW-UHFFFAOYSA-N 436.558 5.168 30 20 IKED C[C@H](CC(=O)Nc1ccc(OC(F)F)cc1OC(F)F)c1ccc(C(F)(F)F)cc1 498619179 GUOPXFYOSORGNH-SNVBAGLBSA-N 439.327 6.041 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CN2CCc3sccc3[C@H]2c2cccs2)c1C 501469596 VKLHBQYEDWNYKG-DEOSSOPVSA-N 435.618 5.321 30 20 IKED Cc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c(OC[C@@H]2CCCO2)c1 501986442 OWNJPDYWTKHMSU-DEOSSOPVSA-N 442.515 5.256 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CSc2ccc(Br)cc21 503532013 HLBIHCPWCIRHSA-GOSISDBHSA-N 449.418 5.161 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NC3(c4ccc(F)cc4)CCOCC3)c2)cc1 504067701 HWSYCNCBROCURN-UHFFFAOYSA-N 431.467 5.317 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N[C@@H](c2ccccc2)c2nccs2)cc1 505092058 FLRAFPNRBPHJLI-QHCPKHFHSA-N 425.513 5.113 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 507349062 NUPINZNQHBXQAQ-SFHVURJKSA-N 446.576 5.304 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(Cl)ccc2Br)cc1 508147750 YGZNTTRVBOIVNI-UHFFFAOYSA-N 433.733 5.169 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccccc3Oc3ccncc3)s2)cc1 509033763 NCRUUPGGIZKBMG-UHFFFAOYSA-N 445.529 5.142 30 20 IKED C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cc2ccccc2o1 509891689 VSJSSQSFCYJELH-GOSISDBHSA-N 425.488 5.961 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H]3c3ccc(F)cc3)c2)cc1 509917562 DLXALGLDVWIYKK-VWLOTQADSA-N 429.495 5.840 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H]3CCOc4c(Cl)cccc43)c2)c1 510635424 ZIWYOMFWUYAWOY-OAQYLSRUSA-N 446.894 5.109 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCCN(Cc3ccc(F)cc3)CC2)cc1 510671222 ZMGQQXVKMBKQFS-UHFFFAOYSA-N 444.510 5.229 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1 511748634 RBWLHLOHDYMDSO-UHFFFAOYSA-N 449.938 5.381 30 20 IKED N#Cc1ccc(OC2CCC(NC(=O)N(Cc3ccccc3)Cc3ccccc3)CC2)nc1 511924628 AXGRNCUPYXVYIJ-UHFFFAOYSA-N 440.547 5.055 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1Cl 514515166 JDTWAJCEWWIXED-KNQAVFIVSA-N 443.934 5.525 30 20 IKED COc1cccc(N2CC[C@H](CNC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)C2)c1 518753555 SSFXWBQSUDYSMY-HXUWFJFHSA-N 442.519 5.007 30 20 IKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1OC(F)F 518754153 MKLRGJAOCJRJGB-INIZCTEOSA-N 438.499 5.943 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC 519052909 OTTLDJOVGDRQNH-HSZRJFAPSA-N 443.503 5.737 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2ccccc2OC(F)F)cc1C 519946999 ZEBYUKGWSKPIQH-KRWDZBQOSA-N 438.478 5.173 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCCCC[C@@H]2c2ccccc2)CC1 520016076 IIBACKZDTLXPBT-JOCHJYFZSA-N 444.535 5.167 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 520324869 QENVGWIRFZMOFQ-UHFFFAOYSA-N 446.466 5.970 30 20 IKED CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 520598248 XXOQALGHQZVLEP-GOSISDBHSA-N 442.519 5.657 30 20 IKED N#CCCSc1ccccc1NC(=O)CCOc1ccc(Cl)cc1Br 521716226 KHRKWTSFLZRRHW-UHFFFAOYSA-N 439.762 5.516 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1ccc(OC(F)F)cc1 521735067 XORHFAXWGBDGPJ-UHFFFAOYSA-N 444.425 5.884 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1)C1CC1 523011898 CXJULXCFEFUQPD-UHFFFAOYSA-N 440.503 5.505 30 20 IKED CN1C(=O)CC[C@H](C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 524526574 NNUXSQJBHLITID-FPOVZHCZSA-N 443.469 5.055 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)N[C@H](C)C(=O)N(CCC#N)c3ccccc3)s2)cc1 525756608 IGJZTTDCBQAERL-IEBWSBKVSA-N 448.592 5.113 30 20 IKED CSc1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 527345453 JPGJPYLGJITDQH-FQEVSTJZSA-N 435.936 5.295 30 20 IKED COCc1nc2cc(NC(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)ccc2o1 534897973 WYINZROCFXDHCK-UHFFFAOYSA-N 433.851 5.544 30 20 IKED CC1CCN(CCc2cccc(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c2)CC1 536720429 ARXHXSRKAFRHBW-UHFFFAOYSA-N 428.580 5.154 30 20 IKED Fc1ccc(-c2nc(CN[C@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)co2)cc1F 537221098 RSFLPGBLGIYOAF-MRXNPFEDSA-N 436.302 6.032 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 538105517 DIECUMVTGSOHPV-UHFFFAOYSA-N 426.476 5.031 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 538258179 VNWKFZCTLGYERP-SJORKVTESA-N 445.588 5.462 30 20 IKED C[C@H]1COc2ccccc2CN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 542016913 MSNGQOQCUVPJRB-IBGZPJMESA-N 427.504 5.147 30 20 IKED C[C@@H](NCc1nc(COc2ccc(F)cc2)no1)c1ccc(-c2cccc(C#N)c2)cc1 542945696 XSEGWUDGXXIJNJ-QGZVFWFLSA-N 428.467 5.177 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)cc1 542985809 KSQYPIZAINFKHX-UHFFFAOYSA-N 443.425 5.628 30 20 IKED Cn1cc(-c2ccc(F)c(C(=O)N[C@@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)c2)cn1 543855011 VXKMWFNNQNHDKQ-KRWDZBQOSA-N 445.338 5.278 30 20 IKED COCCCOc1cc(C)ccc1-c1noc(/C=C/c2cn(CCC#N)c3ccccc23)n1 547176037 UXXZKCDNZLHCKZ-ZRDIBKRKSA-N 442.519 5.499 30 20 IKED Cc1cc(C)cc(Oc2ccc(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)cc2)c1 548791029 STBVSFFDOAJLHS-UHFFFAOYSA-N 426.520 5.580 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2cc3ccccc3s2)cc1 549278893 ZBQQJFABWUYLHJ-UHFFFAOYSA-N 429.520 5.824 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@]2(CCCOC2)C1 549685237 HJXOMIAMTLUIKP-JPYJTQIMSA-N 430.980 5.045 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(C)s2)nc2scc(-c3ccc(C)cc3)c2c1=O 550977749 YXEQSTKXWPMLMX-CYBMUJFWSA-N 440.619 5.633 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(O[C@@H](C)c2ccccc2)cc1C 554186380 WGHTUSJACITPHE-FQEVSTJZSA-N 434.536 5.831 30 20 IKED N#C[C@H](C(=O)c1ccccc1SCc1cscn1)c1nc2cc(Cl)ccc2s1 559067642 FNMKSLCZKDOKNJ-OAHLLOKOSA-N 441.990 6.189 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 563504744 PINHBDGCROXCFG-CHWSQXEVSA-N 436.364 5.204 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccnc(SCC(F)(F)F)c3)n2)cc1 564758400 KCPYQPOOLOGBGL-HNNXBMFYSA-N 444.463 5.221 30 20 IKED C=CCN(C(=O)c1ccc(C)c(Oc2ccncc2)c1)c1nc(-c2ccccc2)cs1 565974303 UACFHOWCAJJDJL-UHFFFAOYSA-N 427.529 6.139 30 20 IKED C[C@@H]1CN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)CCC1(F)F 566946424 DTGOQSVJNOFYFP-SNVBAGLBSA-N 441.322 5.027 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3cccc(NC(=O)C4CCCCC4)c3)cc2)ccn1 569044777 QCPUXVGNQXVNTG-UHFFFAOYSA-N 440.503 5.517 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@@](C)(C#N)C1CCCCC1 570191968 COLUSANSAJKUHC-QRQCRPRQSA-N 431.989 5.595 30 20 IKED CC(C)[C@H](NC(=O)Nc1cccc(C#Cc2ccccc2)c1)c1nc(-c2cccnc2)no1 591486531 GZXBYEMYWDJAPU-QHCPKHFHSA-N 437.503 5.050 30 20 IKED CN(C(=O)c1cccs1)c1ccccc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 592974675 WVFDFQLIRFHORB-HNNXBMFYSA-N 435.505 5.264 30 20 IKED CN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H]1CCCc2ccccc21 603831104 BHWQTUFBXARMCP-SANMLTNESA-N 425.532 5.873 30 20 IKED Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 604024299 YESPNMZYFQKBHE-UHFFFAOYSA-N 430.451 5.281 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)ccc21 604691019 WXRHEHXKBBFWTI-AWEZNQCLSA-N 425.414 5.013 30 20 IKED C=CCOc1ccc(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 605103156 KMYQQAMPJQYELY-DENIHFKCSA-N 432.486 5.083 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(O[C@@H](C)c2ccccc2)cc1C 609080032 ACIQEOCIQLDHTN-NRFANRHFSA-N 443.547 5.687 30 20 IKED Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(C)c1 609208674 DYPRVDMMMUHSOI-UHFFFAOYSA-N 442.519 5.378 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)cc1 609317822 GCEUIOLRFJSWNG-IBGZPJMESA-N 436.314 5.539 30 20 IKED COc1ccc(C)cc1NC(=O)[C@@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 609387001 DWNYXLWMJKVRJX-CQSZACIVSA-N 437.487 5.467 30 20 IKED COc1ccc(C[C@@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC 609434570 YZJQVSPLQALOCO-QGZVFWFLSA-N 431.492 5.120 30 20 IKED COc1ccc(OC2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)cc1 609435304 FLPFDFBXAWUBSE-QGZVFWFLSA-N 425.554 5.165 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 609436645 QIRBOAQLWKRFSV-RWMBFGLXSA-N 439.425 5.675 30 20 IKED CN(Cc1cc(Br)cs1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 609642436 GCXMBBYHLIWNEC-UHFFFAOYSA-N 441.350 5.233 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(OCc4ccncc4)cc3)c2)cc1 609644121 XUOSXDUYATYRJD-UHFFFAOYSA-N 435.483 5.364 30 20 IKED N#Cc1ccc(C(=O)N(Cc2ccc(Oc3ccc(Br)cc3)cc2)C2CC2)cn1 609644347 MBVMAYOWMIVOBW-UHFFFAOYSA-N 448.320 5.313 30 20 IKED COc1cccc([C@@H](CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)N(C)C)c1 609729550 DQVOMDNOQYHFFT-HSZRJFAPSA-N 449.938 5.045 30 20 IKED N#Cc1ccc(SCc2nc(Cc3nc4cc(C(F)(F)F)ccc4s3)no2)cc1 612881698 FDQKDCVVGBBMFD-UHFFFAOYSA-N 432.452 5.453 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)NCc1ccc(C#N)cc1F 613503602 PQRUEXQNQCVEPY-UHFFFAOYSA-N 436.874 5.233 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@H](C)CCC)nnc1-c1ccc(Cl)cc1Cl 642313516 LDGLDUOVLPMTAL-CYBMUJFWSA-N 427.401 5.177 30 20 IKED C=C(C)Cn1c(N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)nnc1C(C)(C)c1ccccc1 670196957 QNKNXFBCPRNFDY-HOTGVXAUSA-N 446.439 5.357 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NCc2cc(=O)oc3c(C)c(O)ccc23)cc1 725841011 RGVYPCSMTADCLU-UHFFFAOYSA-N 428.444 5.092 30 20 IKED O=C(NCc1ccncc1)Nc1cccc(C/N=C\c2cc(Cl)cc(Cl)c2O)c1 726893336 ZSMAPRPLIGVICR-MXAYSNPKSA-N 429.307 5.035 30 20 IKED CC(C)c1ccc(-c2nc(CC(=O)Nc3ccccc3SC[C@H](C)C#N)cs2)cc1 730995822 USRVWPNOOJCYBH-QGZVFWFLSA-N 435.618 6.366 30 20 IKED O=C(Nc1ccc(Cl)cn1)c1cccc(N=Cc2cc(Br)ccc2O)c1 731488601 LYEHHNPQLQWWDS-UHFFFAOYSA-N 430.689 5.206 30 20 IKED Clc1nccnc1NN=C1CCCc2nc(-c3ccc(Br)cc3)sc21 733080375 LPYBQWIBYULZBV-UHFFFAOYSA-N 434.750 5.169 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc3c(c2)oc2ccccc23)ccc1OC 733622082 PGQGRQVXDJSHJK-SFHVURJKSA-N 429.476 5.597 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](Cc2ccccc2)c2ccccc2)ccc1OC 733639860 HZALHIJDBKZMED-DNQXCXABSA-N 443.547 5.159 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(SC(F)F)cc2)ccc1O[C@@H](C)C(=O)N(C)C 734982039 VTRGLVXHMDXIPP-GIXCSOPHSA-N 449.519 5.152 30 20 IKED O=C(/C=C\c1ccc(-c2cccc([N+](=O)[O-])c2)s1)c1ccc(S(=O)(=O)C(F)F)cc1 735232418 NNZNGYQHSWZKCE-POHAHGRESA-N 449.456 5.216 30 20 IKED CC[C@H](C)n1c(SCC(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)nnc1-c1ccccc1 735790927 SIZNCNUAHNJWSY-FUHWJXTLSA-N 444.564 5.069 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc2c(c1)Cc1ccccc1-2)[n+]1cc(O)cc(Cl)c1 738016032 ZRWCFKPEMGXQSB-UHFFFAOYSA-O 449.983 5.281 30 20 IKED N#CCN(Cn1nc(SCc2cccc3ccccc23)sc1=S)C1CCCC1 738254538 IIHYDAZBGDUIHA-UHFFFAOYSA-N 426.636 5.845 30 20 IKED Cc1nc(CCC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)oc1-c1ccccc1 739594877 SHFKNJLKNOVWOU-UHFFFAOYSA-N 427.529 5.499 30 20 IKED N#CCOc1ccc(CN[C@@H](c2ccccc2)c2ccc(Br)cc2F)cc1 742259415 YITMXOVHXRWBNQ-QFIPXVFZSA-N 425.301 5.370 30 20 IKED Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 743093105 MJHFXHHUVZNGMX-OIKPOIBNSA-N 439.559 5.940 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c1 746251835 NWGYJBUMYQSRCX-AOYPEHQESA-N 444.506 5.005 30 20 IKED C/C(=C/C(=O)NC1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1OC(F)F 753195887 OHHOLERMEOGVDL-RCNSNYRISA-N 445.350 5.717 30 20 IKED C/C(=C/C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1OC(F)F 753396418 OHHZNTUIQDOIEF-BLSFAOBESA-N 435.455 5.563 30 20 IKED Cc1sc([C@@H](C)NCc2ccc(N(C)CCC#N)cc2)nc1-c1ccc(Cl)cc1 756152195 YMAQZQCZIUBXEV-MRXNPFEDSA-N 425.001 5.973 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)cc1C 757813549 GUKGSOHLMXQCIC-QHCPKHFHSA-N 440.547 5.257 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2Br)cc1 760365701 ODAWEDNYHNGHQH-LJQANCHMSA-N 425.713 6.010 30 20 IKED Cc1oc(-c2ccccc2)nc1Cc1noc(-c2ccc(COc3ccccc3C#N)o2)n1 761493020 XJHBQFBDEZNZGC-UHFFFAOYSA-N 438.443 5.335 30 20 IKED N#C[C@H](NC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1cccc(C(F)(F)F)c1 768180600 MDZRMLHUQMIKGP-FJGDVKFKSA-N 441.291 5.120 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(Cc2ccccc2)[C@@H](C)C(C)(C)C)ccc1OC 769507623 DJEPTLIFLZOQLA-SIKLNZKXSA-N 437.584 5.523 30 20 IKED Cc1nc(CCC(=O)O[C@H](C#N)C2CCCCC2)oc1-c1ccc(Br)cc1 776386848 NIPVUJAHAXGCOD-GOSISDBHSA-N 431.330 5.361 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)O[C@H]([C@@H]2CCOC2)C(F)(F)F)cc1Cl 778035552 AJYOCLSKRKJCGV-RDTXWAMCSA-N 425.790 5.128 30 20 IKED C/C(C=Nn1cnc2sc(C)c(-c3ccccc3)c2c1=O)=C/c1cccc([N+](=O)[O-])c1 787153550 FLQXYJCNUKXIKQ-JAKXIHQOSA-N 430.489 5.279 30 20 IKED CN(C)C(=O)c1ccc(C(=O)/C=C/c2cc(C(F)(F)F)ccc2Br)cc1 792924127 BFZJOHRVPMNLCX-JXMROGBWSA-N 426.232 5.066 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc3ccc(Br)cc23)cc1 796637305 VFVCOFCCIRGEDX-GOSISDBHSA-N 441.350 5.116 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](F)c3ccc(C(F)(F)F)cc3)n2)cc1 802053497 STKKEWNBQHTSDR-WMZOPIPTSA-N 429.398 5.588 30 20 IKED N#CCCn1cc(C2=NNC(=Nc3ccccc3C(F)(F)F)SC2)c2ccccc21 806674061 USDIROMQJVSPNN-UHFFFAOYSA-N 427.455 5.302 30 20 IKED O=C(NCC(=O)N(O)Cc1cc(Cl)cc(Cl)c1)c1sc2ccccc2c1Cl 901380110 XWSJFYIWIJJOHV-UHFFFAOYSA-N 443.739 5.009 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)cc1 915351843 CKYPZUFZAUKAQU-VMPREFPWSA-N 443.550 6.522 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1 915352519 JQACMSDRVIEMQR-XMMPIXPASA-N 433.515 5.540 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNC(=S)Nc2ccc(C)cc2)cs1 915923278 JGJDYBAWBNZQGV-UHFFFAOYSA-N 437.594 5.073 30 20 IKED N#C[C@H](C(=O)COc1cccc(Br)c1)c1nc(-c2ccc(Cl)cc2)cs1 916628487 UTDJASRSZDTRDN-MRXNPFEDSA-N 447.741 5.481 30 20 IKED N#C[C@H](C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)C(=O)Nc1ccccc1 916899984 HOZPVQBBXVBAOH-JOCHJYFZSA-N 425.463 5.254 30 20 IKED C[C@H]1CCc2c(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)csc2C1 916905863 PTRZOWDCWANBLF-QFBILLFUSA-N 430.529 5.626 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCCc2nc(-c3ccc(F)cc3)no2)cc1 916948280 FXBIBLGFDJUVQW-HRAATJIYSA-N 448.498 5.059 30 20 IKED Cc1sc2ncn(N=Cc3ccc(-c4ccccc4F)o3)c(=O)c2c1-c1ccccc1 917026810 UIDDULSYWFWFJY-UHFFFAOYSA-N 429.476 5.715 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n2nc(C)cc2n1 917430863 FIXKIIREOIWWRH-AWEZNQCLSA-N 442.331 5.267 30 20 IKED C=CCN(Cc1ccc(OC)cc1)Cn1nc(-c2cc(C)ccc2C)c2ccccc2c1=O 917485013 IHNGDNJLJJVWGZ-UHFFFAOYSA-N 439.559 5.335 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(Br)c2)n1)c1nc2ccccc2o1 917510158 TYISNLZEMCXIDW-HNNXBMFYSA-N 438.306 5.133 30 20 IKED CCC(CC)[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccs1 918470576 KIZJZYOVCRPHMO-LADGPHEKSA-N 445.588 5.636 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(-c2nc3ccccc3s2)o1 920102088 OYZATQJJBHZULX-HNNXBMFYSA-N 425.469 5.551 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCc1nnc(-c2ccc(Cl)cc2Cl)o1 920540832 RORJTLPYAACWSA-IBGZPJMESA-N 446.290 5.062 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ncsc4[nH]3)CCC2)cc1 1789455719 AOBOCABXWKRNBR-GOSISDBHSA-N 434.565 5.141 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccncc3Cl)CCC2)cc1 1789626229 FZFIJKUVIPQRGV-UHFFFAOYSA-N 425.960 5.475 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4nc[nH]c4c3)CCC2)cc1 1789626402 MFEMHBHOIWECHX-UHFFFAOYSA-N 430.552 5.303 30 20 IKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C(F)(F)F)c4)CCC3)cc2)CCC1 1792231469 QCOHFPFOIPXDFV-UHFFFAOYSA-N 441.453 5.147 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)/C=C/c3c[nH]c4cc(C)ccc34)cc2)CCC1 1792364299 OXRHVESXNQZDRI-RIYZIHGNSA-N 425.532 5.037 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cc(C(C)(C)C)oc3C)C2)CC1 1808383463 LTGJGFHEFCUTRC-OAQYLSRUSA-N 440.628 5.499 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)noc2-c2ccccc2)CC1 1827715055 SMBWTGXHYRDLCJ-XXBNENTESA-N 449.595 5.096 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)c(F)c2F)CC1 1828830444 VLWQIIANYVFWRM-UNMCSNQZSA-N 444.566 5.275 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(C#N)c2)CC1 1829068531 BMIOEOCDXLJZIM-XMMPIXPASA-N 435.612 5.092 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(OCC)c2)CC1 1829068789 QHUJYOQSXLOLOY-XMMPIXPASA-N 440.628 5.311 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cccc(O)c2)CC1 1831496585 KOCCXUBHWJBAFX-BYUVYSIJSA-N 438.612 5.018 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2cccc(C)c2)cc1 10173826 XSBCSLKLQIEVQL-UHFFFAOYSA-O 427.496 5.010 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Br)cc2)[n+]2ccccc2)cc1 20834505 LKRVJCMMZNLSQD-UHFFFAOYSA-O 426.359 5.096 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)c(C)[nH]1 23603830 JOTLAXRIASTDOL-UHFFFAOYSA-O 440.592 5.561 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 32503599 UWNPDNDXIBCVGW-UHFFFAOYSA-N 446.981 5.031 30 20 IKED CC(C)(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc2c(c1)OCCO2 58687175 OPGCHRMRLABAJS-UHFFFAOYSA-N 442.515 5.019 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3cccc(OCC(F)(F)F)c3)c2)c1 60976579 HHBOTRWSBTZGGG-UHFFFAOYSA-N 426.438 5.368 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc3ccccc3c2)nnc1-c1ccccc1F 195569521 ZBLRXHOSHYPEJZ-INIZCTEOSA-N 432.524 5.543 30 20 IKED COc1cc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccncc2)ccc1SC 207746373 LNYAFKCOCGGPMX-NTMALXAHSA-N 427.529 5.561 30 20 IKED COc1ccc(CN[C@@H](c2ccccc2)c2cc3ccccc3o2)cc1OCCCC#N 237548356 GAQDFTPAXQBOJS-MHZLTWQESA-N 426.516 6.003 30 20 IKED N#CCCCOc1cccc(CNC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 237670175 BQTSADPTANHFHZ-UHFFFAOYSA-N 431.502 5.142 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 303089593 HTKYOOIWLCYKIL-UHFFFAOYSA-N 437.297 5.172 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)Cn1c(SC(F)F)nc2ccccc21 303295590 BRDLJCWJHRTZRO-CYBMUJFWSA-N 432.521 5.241 30 20 IKED COc1cccc([C@@H](C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 410049944 RIAMXMDVHBAFRP-CYBMUJFWSA-N 445.466 5.375 30 20 IKED C=C(C)[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1)c1ccc(F)c(F)c1 429990958 LHNRBAGLTXMZNR-SFHVURJKSA-N 440.412 5.177 30 20 IKED Cc1c(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cccc1C(=O)Nc1ccccc1 432825210 VTLNSEZQTSCKMN-DEOSSOPVSA-N 426.520 5.804 30 20 IKED CCNC(=O)Nc1cccc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1C 434048427 UXETUDPNICBQDH-UHFFFAOYSA-N 428.492 5.361 30 20 IKED Cc1cc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)n(C2CCOCC2)n1 434322500 WBADEKMZDGZVGL-UHFFFAOYSA-N 436.899 5.113 30 20 IKED COC(=O)[C@H](Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)c1cccnc1 434878406 DTLGZWVYJVHSJB-HXUWFJFHSA-N 427.382 5.091 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(CSc3nc[nH]n3)cc2)cc1F 437466616 KHZQTKBPEJSLLR-UHFFFAOYSA-N 445.479 5.152 30 20 IKED COc1ccccc1C[C@H](C)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 437893383 FNIOREPVXSWCEP-FQEVSTJZSA-N 443.547 5.435 30 20 IKED COc1ccc(OC)c([C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 438651577 SSZZARQIGOOVMP-OAHLLOKOSA-N 435.455 5.390 30 20 IKED CC(C)[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nnc2ccccn12 438657022 QEKZSPLIOGWLJS-JOCHJYFZSA-N 444.470 5.051 30 20 IKED CN(Cc1nc2ccccc2s1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438664212 ZEWXSZBAXODBSY-UHFFFAOYSA-N 432.480 5.763 30 20 IKED CCCc1c(NC(=O)c2ccc(OC3CCC3)cc2Cl)cnn1-c1cccc(C#N)c1 440086736 IGUBMNUXYYIKJF-UHFFFAOYSA-N 434.927 5.533 30 20 IKED CCCc1c(NC(=O)c2cnc(-c3ccc(OC)cc3)s2)cnn1-c1cccc(C#N)c1 440107757 VBOLBQVTOBZSBF-UHFFFAOYSA-N 443.532 5.081 30 20 IKED COc1ccc(-c2nn(Cc3ccccc3)cc2CNCC2CCC(C#N)CC2)cc1OC 441378379 HHBIIIYYAVZFAL-UHFFFAOYSA-N 444.579 5.035 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 441398765 IHHTWNUKEFATNC-IXDOHACOSA-N 444.000 5.323 30 20 IKED N#Cc1cc(NC(=O)N(CCc2ccccc2)Cc2ccncc2)ccc1OC(F)(F)F 442187890 IGCSBYCESOBHJZ-UHFFFAOYSA-N 440.425 5.129 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCc1noc(Cc2ccc(Br)cc2)n1 444397390 CBKPFAFSJJVUPD-AWEZNQCLSA-N 443.370 5.429 30 20 IKED N#CCSc1cccc(-c2nc(CC(=O)Nc3ccc(Oc4ccccc4)cc3)no2)c1 445374842 WMKWWNZFEQLZDX-UHFFFAOYSA-N 442.500 5.326 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(NC(=O)c4ccccc4)nc3)c2)cc1 460288195 IEXJITZDBNWBSU-UHFFFAOYSA-N 434.455 5.250 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 463502238 QMWDLBGAXIHRCV-UONOGXRCSA-N 435.339 5.263 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)nn1-c1ccc(Cl)c(Cl)c1 464416307 HDKYWTCYPBVZII-CYBMUJFWSA-N 439.224 5.391 30 20 IKED C[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)Oc1cccc(F)c1 466152178 DOTBPUXVHLTULU-GOSISDBHSA-N 435.474 5.016 30 20 IKED COCc1c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cnn1-c1ccccc1 466441388 KPRFLPHCPACXRA-UHFFFAOYSA-N 442.450 5.074 30 20 IKED CC(C)OC(=O)C[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 468232006 VUXHDQRMWLMYDX-CTNGQTDRSA-N 433.552 5.050 30 20 IKED CCCc1c(NC(=O)c2cn(CCCC#N)c3ccccc23)cnn1-c1cccc(F)c1 469794974 XQTUHMVNWFRUDV-UHFFFAOYSA-N 429.499 5.475 30 20 IKED CCc1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)o2)cc1 469946623 DQDRUFGQDAZSEJ-UHFFFAOYSA-N 427.504 5.344 30 20 IKED Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1 470254016 GZUNTTDFWPLTTR-UIOOFZCWSA-N 426.516 5.096 30 20 IKED Cc1nc2cc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)ccc2n1Cc1ccsc1 473090967 VVEQLLDSTXTCRB-ISKFKSNPSA-N 440.572 5.367 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)cnn1-c1ccc(Br)cc1 474435251 SPOKIWRCRPFMOI-HNNXBMFYSA-N 429.343 5.013 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1ccco1 479878738 ZQKRIMYUMFZBOV-UHFFFAOYSA-N 446.532 5.637 30 20 IKED Cc1c(C(=O)Nc2cc(C(C)(C)C)sc2C#N)nnn1Cc1ccc(C(F)(F)F)cc1 486440312 UWHPXVJXZDSLLR-UHFFFAOYSA-N 447.486 5.137 30 20 IKED O=C(NC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccc(F)cc1C(F)(F)F 486898672 REFCDMNDUDOIIT-UHFFFAOYSA-N 435.339 5.299 30 20 IKED Cc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 491139349 IQDSDSWRVMNPGF-XMMPIXPASA-N 432.568 5.014 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2ccc(F)cc2)C2CCOCC2)cc1 494545446 GUKJPVUQHXKVMT-UHFFFAOYSA-N 445.494 5.703 30 20 IKED CC(C)c1ccc([C@H](NS(=O)(=O)Cc2cc(C#N)ccc2F)c2cccs2)cc1 500819249 URGHSKUDMMQYLX-QFIPXVFZSA-N 428.554 5.091 30 20 IKED CCOCCCn1c(SCCCC#N)nc2scc(-c3ccccc3Cl)c2c1=O 501412535 MRRWUOYNOITKTQ-UHFFFAOYSA-N 448.013 5.601 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)c1 502448297 WGENFEJBXJWORR-UHFFFAOYSA-N 436.899 5.641 30 20 IKED COc1cc(CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C2CC2)ccc1OC(F)F 503286400 UTKYMDYHIRJWBE-UHFFFAOYSA-N 429.467 5.294 30 20 IKED Cc1nc(CSc2ccc(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc2)cs1 504721977 SCDMOUZPMALHKV-UHFFFAOYSA-N 449.601 5.299 30 20 IKED N#C[C@H](NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1ccc(F)cc1 507382802 PWNFMQNXQMMZPQ-FQEVSTJZSA-N 442.277 5.379 30 20 IKED C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCC(Oc2ccc(C#N)cc2)CC1 507845849 DQWPUOYPPDIOML-FQEVSTJZSA-N 425.532 5.415 30 20 IKED CC(=O)N[C@@H](CC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(Cl)cc1 509669105 VZOTUDRINPWICJ-QFIPXVFZSA-N 433.895 5.210 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(COc3ccc(C)nc3)c2)cc1 510511062 KARCAWFHZRPWIU-UHFFFAOYSA-N 441.531 5.036 30 20 IKED C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511534090 XQCMTJWGQKUTMQ-HNNXBMFYSA-N 434.446 5.314 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(F)c2ccccc12 511720469 LMZNRNWIXQPSOP-HZPDHXFCSA-N 435.524 5.047 30 20 IKED Cc1ccc(C)c(OC2CCN(C(=O)c3cccc(COc4ccccc4C#N)c3)CC2)c1 513268626 QFYARSUOBYGEPW-UHFFFAOYSA-N 440.543 5.438 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)nnc1-c1ccc(Cl)cc1 514357249 BGMBSABGBNVGNL-IRXDYDNUSA-N 441.000 5.451 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)c2C#N)C1 514898769 CMGGOZYMDCXSTF-GFCCVEGCSA-N 427.476 5.249 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1ncc(C(F)(F)F)cc1Cl 517448888 MPKYFUNCNYQTMV-LLVKDONJSA-N 445.919 5.879 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 517474229 WTDABDZTAAAHJN-LIRRHRJNSA-N 433.936 5.336 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 517821792 VTRAUEUNADIAJD-OAQYLSRUSA-N 432.907 5.821 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CCCO[C@H]3c3ccccc3)cc2)cc1 519988969 VMRAMFJYHRZCLF-OFVILXPXSA-N 427.504 5.640 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccc3ccccc3c2)cc1 520278406 XWZZRYUWXGBVJA-AREMUKBSSA-N 447.538 5.485 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 520809797 POIKVCVAQPYCSL-UHFFFAOYSA-N 440.503 5.294 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccnc(OCc2ccccc2)c1 521260942 KQEJATIJUJEFSD-GOSISDBHSA-N 432.549 5.234 30 20 IKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)CSCc2cc(-c3cccs3)on2)cc1 521292579 UKCRRAOQZBSTOC-SFHVURJKSA-N 425.579 5.315 30 20 IKED COC(=O)C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(SC)cc1 521748204 PUWRJRSDGVUJOQ-BEFAXECRSA-N 443.594 5.086 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1(c2ccc(Br)cc2)CC1 521811673 PZLOXOMRWBBPQT-AWEZNQCLSA-N 430.371 5.654 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2Cl)c1 524249920 NUFSPHNVWVSICC-UHFFFAOYSA-N 425.803 5.090 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@H](COCc3ccccc3)c3ccccc3)cc2)nc1 525363141 KYEOHMPORVWSLN-AREMUKBSSA-N 449.510 5.433 30 20 IKED CCN(C(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C)c1ccc(C#N)c(Cl)c1 533674184 KIKAIBIUMLKZJU-UHFFFAOYSA-N 441.940 5.328 30 20 IKED N#CC1(NC(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)CCSCC1 533870016 VYZKDWDMCFQBIH-UHFFFAOYSA-N 442.993 5.898 30 20 IKED C=CCC[C@@H](NC(=O)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2)c1ccccc1 537564034 ZGTBPWJIYOQUHE-WPFOTENUSA-N 440.534 5.282 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1COC(C)(C)C 538020030 XMDYJOCADFLEQH-UHFFFAOYSA-N 428.532 6.013 30 20 IKED C[C@@H](C#N)CSc1ccccc1N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 538445929 SXSBOFPYMCSHFT-JXFKEZNVSA-N 447.526 5.560 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)C2CC2)cc1 542357639 LUHKXZPLFZDUPH-UHFFFAOYSA-N 428.458 5.374 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)cc1 542945928 ZMTFYUUXBJKNDL-UHFFFAOYSA-N 444.413 5.229 30 20 IKED Cc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 543852264 MMSZMENELWFXTN-SFHVURJKSA-N 426.520 5.118 30 20 IKED N#CCCn1cc(/C=C/c2nc(Cc3ccc(Oc4ncccn4)cc3)no2)c2ccccc21 546390015 QQCUSUQYZPSHTM-FMIVXFBMSA-N 448.486 5.281 30 20 IKED N#CC1(c2ccccn2)CCN(Cc2cnc(-c3ccc(Br)cc3)s2)CC1 548858200 XAGMSVJMLNRASU-UHFFFAOYSA-N 439.382 5.025 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 549261130 MPDBURTZRTWOSJ-UWJYYQICSA-N 431.565 5.097 30 20 IKED COc1ccccc1-c1csc(C2CCN(C(=O)c3cc(C#N)ccc3Cl)CC2)n1 552203068 YKJXNODMKQBLNG-UHFFFAOYSA-N 437.952 5.364 30 20 IKED N#CCCCn1cc(C(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)c2ccccc21 553100524 LCGLZQKEXJIJSQ-HXUWFJFHSA-N 430.335 5.105 30 20 IKED C=CCOc1ccccc1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 554240752 ZUYBAQIYPVIWIC-UHFFFAOYSA-N 427.504 5.332 30 20 IKED CCCC[C@H](C)N(CCCC)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 554630274 MSWXCLKJMBBLEH-SFHVURJKSA-N 426.561 5.230 30 20 IKED COc1ccccc1Oc1ccc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1F 557018445 AECDJYXUYYLIAS-UHFFFAOYSA-N 431.345 5.164 30 20 IKED CC1(C(=O)Nc2nc(CC(F)(F)F)cs2)CCN(c2ccc(Cl)cc2C#N)CC1 558062019 SAZSIULFQFGABN-UHFFFAOYSA-N 442.894 5.018 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1cc(-c2nc3cc(F)ccc3n2C)ccc1C 558566303 KEAZBXMOLHEYAQ-UHFFFAOYSA-N 434.540 5.969 30 20 IKED N#CCCCn1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2ccccc21 562496778 NIJBXMIDJWMIRC-IBGZPJMESA-N 444.947 6.212 30 20 IKED Cc1nc(C#N)c(N2CCC(c3nc(Cc4c(C)cc(C(C)(C)C)cc4C)no3)CC2)o1 569271537 YRFPNYKEOFASAR-UHFFFAOYSA-N 433.556 5.127 30 20 IKED N#C[C@H](CCc1ccccc1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 573749894 DUKLBTPJTOUORR-UNMCSNQZSA-N 430.470 5.062 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](COc2ccccc2)C1 583705856 CIJKSOFIDSJYSK-TUSQITKMSA-N 444.579 5.005 30 20 IKED COc1cc(C#N)ccc1NC(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1 588962930 MXGPIYZJLQRUQD-UHFFFAOYSA-N 446.359 5.913 30 20 IKED CCC(CC)N(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@H]1CCCc2cccnc21 588972832 HMWJTGUZKNOYEF-VWLOTQADSA-N 448.586 5.404 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@H]21 594657616 HFHAZCZVCBTVCN-RULIXLRNSA-N 447.582 5.208 30 20 IKED Cc1sc(NC(=O)c2cccnc2Oc2ccc(Br)cc2)c(C#N)c1C 603637214 MKVKGUGQHWJULZ-UHFFFAOYSA-N 428.311 5.439 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2nc(O)c3ccccc3n2)cc1Cl 603673244 QRHCMBBFKODVHN-FQEVSTJZSA-N 442.906 5.216 30 20 IKED CC(C)[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1nc2ccccc2[nH]1 603689746 DBTLSBDQQHOTPN-QFIPXVFZSA-N 426.480 5.141 30 20 IKED Cc1ccccc1CN1CCCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 609128751 ACQVBKGUKKPYBG-UHFFFAOYSA-N 425.532 5.007 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC(C)C)cc1C(F)(F)F 609212804 YUBGYZGOQUGSLB-UHFFFAOYSA-N 435.446 5.045 30 20 IKED C[C@@H](c1ccc(F)cc1)[S@@](=O)CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 609367642 QTJGBXSRRYNXCZ-WIONRGSFSA-N 441.368 5.312 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2oc3ccc(Br)cc3c2C)c1C 610054087 OTSNSAYMCAWAHL-UHFFFAOYSA-N 449.308 5.430 30 20 IKED COc1ccc(SCCC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC 610116704 BKPAPLLXCLAJBP-UHFFFAOYSA-N 434.517 5.489 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1ccn(-c2ccc(F)cc2)n1 610225628 SJCVNXTVKHXYKI-UHFFFAOYSA-N 426.451 5.165 30 20 IKED COCCN(C(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)c1ccc(C#N)cc1 610234636 TXTVAARQPWXNCG-UHFFFAOYSA-N 438.858 5.738 30 20 IKED C[C@H](NC(=O)Nc1ncc(Cc2cccc(Br)c2)s1)c1cccc(C#N)c1 610331758 AEBOCFTVFHWUAP-ZDUSSCGKSA-N 441.354 5.251 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)[C@@H]1COc2ccccc21 611109449 JXVVLTZKBVAWFQ-MBSDFSHPSA-N 427.504 5.132 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1 612645831 RUMGWOAEXBCUOR-KRWDZBQOSA-N 440.263 5.156 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3NC(=O)c3ccsc3)n2)cc1 613318023 GNQGCOFJRGNGAK-IBGZPJMESA-N 443.553 5.922 30 20 IKED Cc1ccn2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)nc2c1 613347222 XGFZGLAGGRJNGF-CQSZACIVSA-N 427.316 5.563 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)n2)cc1 642281116 JPJHMDLFLQSVNT-IBGZPJMESA-N 441.512 5.762 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCO[C@H](c2ccco2)C1 670215852 HYCKXRCAFRLZFS-CYFREDJKSA-N 444.535 5.318 30 20 IKED FC(F)(F)c1ccn(-c2ccc(CN3C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)cc2)n1 678299434 XSFAAKPERQJORA-BETUJISGSA-N 431.302 5.064 30 20 IKED O=C(N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 684296236 DCQCGMKMQPKHGC-RZLSGREXSA-N 426.376 5.234 30 20 IKED F[C@H](c1ccc(C(F)(F)F)cc1)c1nc(Cc2ccc(OCC(F)(F)F)nc2)no1 685379620 ITQQNNPUBGYZSW-OAHLLOKOSA-N 435.299 5.074 30 20 IKED COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 729038805 AAKWULMXIQHSJA-KRWDZBQOSA-N 431.492 5.043 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc1OC 729308693 JLMWTOLLISRIQW-CIANLDMFSA-N 439.515 5.055 30 20 IKED CCn1c(NN=Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)nc2ccccc2c1=O 731150580 AKIJQWWTRMNUDX-UHFFFAOYSA-N 448.958 5.134 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(SC(=O)N(C)C)c2)cc1C 731441172 NNHVANVNSRSUGH-UHFFFAOYSA-N 447.564 5.107 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2n[nH]c3ccc(Br)cc23)cc1 732058217 PHLPWKWZSBMEFT-LJQANCHMSA-N 431.293 5.233 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC[C@@H]1c1ccc(F)c(F)c1 733038630 QDOKGDKBMUNFNO-XHBSWPGZSA-N 444.366 5.721 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2nc3ccccc3s2)cc1C 734140040 ANXSAKOBHDDYMB-KRWDZBQOSA-N 429.549 5.181 30 20 IKED N#CCOc1ccc(Cl)cc1CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 735230633 NNUDPYNFCJHXCD-FQEVSTJZSA-N 439.968 5.577 30 20 IKED CCCOc1c(Cl)cc(/C=C\C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1OC 735233090 YTEMRLSZZRNPLS-WTKPLQERSA-N 444.883 5.030 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(C)(C)Sc1ccc(Br)cc1 736015490 MRGWRJOQJFUNTR-CQSZACIVSA-N 449.439 6.210 30 20 IKED C=CCn1c(-c2ccccc2F)nn(CN2CCS[C@H](c3ccccc3)C2)c1=S 738243495 AVVOPHPPHZRXSZ-FQEVSTJZSA-N 426.586 5.154 30 20 IKED CC(C)(CCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)NC(=O)OC(C)(C)C 739155654 KACKRTCVXQYMTA-INIZCTEOSA-N 447.988 5.723 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)o2)cc1 739594979 BSGYIOIGXCZMEU-UHFFFAOYSA-N 439.496 5.260 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC[C@@H](O)c3c(Cl)cccc3Cl)cc2)cc1 740944229 TWKDVEWLWSPZCJ-OAQYLSRUSA-N 441.314 5.315 30 20 IKED O=C(/C=C\c1sc2ccccc2c1Cl)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741843223 OMFRFIAVWXAXSP-KTKRTIGZSA-N 444.883 5.787 30 20 IKED O=C(/C=C\c1ccc(-c2cccc(F)c2)s1)c1ccc(S(=O)(=O)CC(F)F)cc1 741852615 OPBHPRZLSBYGNO-POHAHGRESA-N 436.476 5.489 30 20 IKED C#Cc1cccc(NC(=S)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)c1 741869883 YIXPAPPYHIJIKR-UHFFFAOYSA-N 427.451 5.361 30 20 IKED C[C@H](C#N)Oc1ccc(CN[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1 742382993 QPODAOWSBXCUSL-NSYGIPOTSA-N 434.923 5.281 30 20 IKED C=CCN(C(=O)c1cccc(NC(=O)OC(C)(C)C)c1)c1nc(-c2ccccc2)cs1 743973899 YBSJJICHTFJOAE-UHFFFAOYSA-N 435.549 5.990 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 744031231 UQOQBNGODFFBHW-IBGZPJMESA-N 430.504 5.604 30 20 IKED C[C@H](OC(=O)c1ccccc1N=Nc1ccc(O)cc1)C(=O)N(CCC#N)c1ccccc1 744550230 HDBQZBPHKIFXMX-SFHVURJKSA-N 442.475 5.300 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)/C=C/c3cc(C(F)(F)F)ccc3Cl)o2)c1 744558043 AIBZYGBUGDMNMN-QPJJXVBHSA-N 433.773 5.037 30 20 IKED CC(=NNc1ncnc2scc(-c3ccc(F)cc3)c12)c1cccc(N2CCOC2=O)c1 745588135 IQCWKBYDYNECEI-UHFFFAOYSA-N 447.495 5.290 30 20 IKED C[C@@H](CCOc1ccccc1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 745948220 WSYHTKWADOSXAD-UGKGYDQZSA-N 428.488 5.231 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)c2)s1 747417942 VSTNEEOSGLRQDR-UHFFFAOYSA-N 432.505 5.069 30 20 IKED C/C(=C\C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 748186715 SJWAWHPJEWJZPB-LQESKWSZSA-N 433.314 5.698 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 752685810 IPZZTKKZPVRRQB-VQTJNVASSA-N 433.899 5.226 30 20 IKED COc1ccc(C(=O)CC(C)(C)CC(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1 760184294 RPAHKBDYXWAOQF-JOCHJYFZSA-N 442.515 5.185 30 20 IKED COc1ccc(C[C@@H](C)CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 761837968 FRELAUOZHXPZPA-IBVKSMDESA-N 427.548 5.693 30 20 IKED Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 761848136 SIHOGAWKZIZHPP-DEOSSOPVSA-N 431.923 5.793 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 767885305 YPHCKYJKSCXOMJ-WMZOPIPTSA-N 432.549 5.028 30 20 IKED Cc1nc(CON=Cc2cccc(OCc3ccncc3)c2)oc1-c1ccc(Cl)cc1 768522029 OWNDRBUKKZQVIR-UHFFFAOYSA-N 433.895 5.828 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 771706057 QIWGJGUVNRGXFQ-UHFFFAOYSA-N 436.386 5.607 30 20 IKED N#C[C@@H](COC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Cc1cccs1 772735759 KVNWKTYYIONRIZ-ZDUSSCGKSA-N 435.332 5.568 30 20 IKED COCCN(C(=O)Nc1ccccc1O[C@@H](C)C#N)[C@@H](C)c1cccc(C(F)(F)F)c1 780679669 YNJOWRZVQQGDBG-HOTGVXAUSA-N 435.446 5.238 30 20 IKED COc1cc(/C=C(/C(=O)Nc2cccc(OCCCC#N)c2)c2ccccc2)ccc1O 781080048 SSXXJYHASYVHRM-XQNSMLJCSA-N 428.488 5.263 30 20 IKED Cc1cc(Br)cc2cc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)oc12 783077623 VWXSFYHBDWWWCT-SFHVURJKSA-N 447.288 5.618 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(OC)c(OC2CCCC2)c1 784831007 GCWPTCNCNFFHIC-NRFANRHFSA-N 434.536 5.103 30 20 IKED N#C[C@@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1nccc2ccccc12 792101247 GIONSUQLECWUQH-INIZCTEOSA-N 425.435 5.672 30 20 IKED O=C(/C=C/c1ccc(Br)cc1C(F)(F)F)c1ccc(N2CCOC2=O)cc1 794933928 CVVMUIVKIFVNAH-XBXARRHUSA-N 440.215 5.321 30 20 IKED COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1 796040110 MDAWEVLFGUNFDM-DEOSSOPVSA-N 442.515 5.342 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)/C(=C/c2ccc(Cl)cc2)c2ccc(F)cc2)CC1 800111806 QZWMAFSCQKAKJL-HAVVHWLPSA-N 445.925 5.499 30 20 IKED C=CCn1c(Sc2nc(Cl)c(C#N)s2)nnc1-c1ccc(Br)cc1 804337483 CMWOZNDVQRCFRY-UHFFFAOYSA-N 438.763 5.026 30 20 IKED CC(C)(C)CCC(=NN=c1cc(C(F)(F)F)[nH]c(-c2ccncc2)n1)c1cscn1 807971599 BFNQTSOWWIXYLS-UHFFFAOYSA-N 434.491 5.078 30 20 IKED C#C[C@@H](NC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1ccc(Cl)cc1 810186340 SQTLJRZBHPWCTJ-DJUQAAIZSA-N 436.964 5.285 30 20 IKED Cc1ccc(C(=O)N2CCC[C@@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)C2)cc1 915100015 KICCPSVSLVOGAU-FGZHOGPDSA-N 443.572 5.156 30 20 IKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1nc(-c2ccccc2)cs1 915102525 WEZHPNWGWZRNKA-ICSRJNTNSA-N 449.963 5.192 30 20 IKED Cc1cccc(-c2nnc([C@H](C)OC(=O)c3ccc(OCc4ccccc4C#N)cc3)o2)c1 915511633 CHTWMSITXZWVHO-SFHVURJKSA-N 439.471 5.414 30 20 IKED COc1ccc2cc(/C=C/C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)ccc2c1 916928322 YAFWCMDFMGPUMF-VZJZHNIPSA-N 439.298 5.516 30 20 IKED C#CCN(Cn1nc(-c2ccncc2)n(-c2ccccc2)c1=S)[C@@H]1CCc2ccccc21 917456889 NDTYDQUFIVXWOL-XMMPIXPASA-N 437.572 5.045 30 20 IKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccsc2)C1=O)Nc1ccccc1 917663356 AWCRETIGVJRIRC-LJQANCHMSA-N 439.537 5.048 30 20 IKED N#CCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 920815663 KMFKSMJZMBQZBO-UHFFFAOYSA-N 439.393 5.112 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)on3)CCC2)cc1 1786676528 NXGUXNDBVSAKIP-UHFFFAOYSA-N 447.560 5.009 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c(-c5ccc(F)cc5)c4)cc3)CCC2)C1 1787134872 IGWLURSQYZVAMC-UHFFFAOYSA-N 443.522 5.535 30 20 IKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)CCC3CCC3)CCC2)cc1 1788649184 DPBUVSKXJVXKDN-WYMLVPIESA-N 436.577 5.201 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4nc(C)ccc4c3)cc2)CCC1 1789034933 ZYEIZULBCNPXPL-SFHVURJKSA-N 427.548 5.503 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3ccccc3NC(=O)OC(C)(C)C)cc2)CCC1 1790690161 IWDJUHRHSTZQSP-UHFFFAOYSA-N 449.551 5.357 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C4(C(F)(F)F)N=N4)cc3)CCC2)cc1 1791593383 PFAMUDGPGLGLIE-UHFFFAOYSA-N 442.441 5.191 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@]3(F)CCCC=C3F)cc2)CCC1 1792376118 MZQHVQWDKHJDBV-NBGIEHNGSA-N 428.523 5.635 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc(-c3ccccc3)s2)[nH]n1 1821922538 MLQAWIDKPPSTIM-APWZRJJASA-N 449.580 5.051 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2C2CC2)CC1 1832557849 JNKLWFSQDOBJSH-OZXSUGGESA-N 434.624 5.566 30 20 IKED C[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)Nc1cccc(C#N)c1 10212628 SUVNIVARUKIBTE-MRXNPFEDSA-N 443.507 5.064 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccc(F)cc2)cc1 10829771 WHCJSHYBSQVDGI-UHFFFAOYSA-O 435.588 6.240 30 20 IKED C[C@@H](OC(=O)c1sc2cc(Cl)ccc2c1Cl)C(=O)NC1(C#N)CCCCC1 11397277 VSGMLVIOJURZAR-LLVKDONJSA-N 425.337 5.096 30 20 IKED C=CCn1c(=S)sc2c(=O)n(CC(=O)c3ccc(C4CCCCC4)cc3)cnc21 14753673 BUGJYMSAHVWHSD-UHFFFAOYSA-N 425.579 5.106 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)NCc2ccccc2Cl)nnc1-c1ccc(Cl)cc1 16862770 BSUMDULILLVVTK-AWEZNQCLSA-N 447.391 5.235 30 20 IKED O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccc(C#Cc2ccccc2)cc1 22321902 QTYNXZYKNYEUOT-UHFFFAOYSA-N 448.444 5.706 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(C)c(F)c2)cc1 22732135 KCNPFUPVBAUQSD-UHFFFAOYSA-O 429.487 5.313 30 20 IKED C=CCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nc2ccccc21 27445207 PZUOXKYHBQDETA-QGZVFWFLSA-N 430.558 5.314 30 20 IKED C[C@H](N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccc(C#N)cc1 30449727 XLODJBMYXFDJEU-NYHFZMIOSA-N 434.883 5.150 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 62905216 HFZQECBOZFRNET-UHFFFAOYSA-N 426.451 5.037 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccc(N4CCCC4)cc3)c2)cc1 71936933 GJMOLFKXFNWLOJ-UHFFFAOYSA-N 440.547 5.254 30 20 IKED C[C@@H](Sc1nnc(COc2ccccc2F)n1-c1ccccc1)c1ccc(C#N)cc1 303730387 UZWRFMWSTRGNGV-QGZVFWFLSA-N 430.508 5.710 30 20 IKED COc1cccc(Cc2nnc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)s2)c1 410296902 GSALEVURLBZFTB-UHFFFAOYSA-N 442.500 5.054 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCOC3(CCCCC3)C2)cc1 426101885 CXIUPGVRRSQWNO-FQEVSTJZSA-N 435.524 5.363 30 20 IKED COC(=O)c1cc(NC(=O)c2sc3ccc(C#N)cc3c2C)c(C)cc1Br 428434487 WDWUHHGCNIDPPR-UHFFFAOYSA-N 443.322 5.191 30 20 IKED Cc1cc(Br)c2c(c1)CN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)CC2 429440313 CAKIAERPTDYXGO-HNNXBMFYSA-N 444.398 5.742 30 20 IKED N#C[C@@H](NC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)c1cccc(Cl)c1Cl 433342368 JJSTYKDDVMUJAB-CYBMUJFWSA-N 441.196 5.057 30 20 IKED COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)N[C@H](C)c1ccc(C#N)cc1)CCO2 437840707 MTGNRXRHIKVWHY-CLOONOSVSA-N 441.531 5.363 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N(C2CC2)[C@H](C)c2cccc(C(F)(F)F)c2)cc1 437876179 XJOYBDFMPZVIFO-OAHLLOKOSA-N 431.458 5.379 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 438039498 QESFNXKMFQXJHP-ROUUACIJSA-N 443.016 5.645 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@H](C)C[C@@H]2c2ccccc2F)cc1 438172593 AFJGPNPHGBPFTD-UZUQRXQVSA-N 445.494 6.113 30 20 IKED CCCc1c(NC(=O)CCCCC(=O)c2ccc(C)cc2)cnn1-c1cccc(C#N)c1 440090614 UOOLJAQLXBCSDR-UHFFFAOYSA-N 428.536 5.387 30 20 IKED Cc1c(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cnn1CCC(C)C 442208897 QGVGKXRIPGZFMP-UHFFFAOYSA-N 431.540 5.527 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(Cl)cc2C(F)(F)F)c1C#N 445562405 CHXJRNWYZZDIPG-UHFFFAOYSA-N 436.846 5.390 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC2(CCOCC2)c2ccccc21 460544522 MAHZHLCBNJUGIK-UHFFFAOYSA-N 439.563 5.126 30 20 IKED CSc1cccc([C@@H](NCC(=O)N(C)C2(C#N)CCCCC2)c2cc(F)ccc2F)c1 462175536 KRVVJODLYCSEBP-HSZRJFAPSA-N 443.563 5.051 30 20 IKED Cc1nc(-c2cccc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)c2)cs1 463170255 MGQFGNYIXDJYPM-UHFFFAOYSA-N 449.586 5.386 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCc1nnc(C2CCCC2)o1 471266793 IKQFEVPKSDXBOI-UHFFFAOYSA-N 432.499 5.212 30 20 IKED CC(C)(C)OCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)no1 471823672 FEXFUZUUJNGMKI-UHFFFAOYSA-N 427.448 5.267 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cc(F)cc(NCC(F)(F)F)c2)c1 473263106 YXLJANREHLLZJL-UHFFFAOYSA-N 433.361 5.096 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 476076883 BVWCQKBPMXWRLO-IBGZPJMESA-N 440.609 5.354 30 20 IKED COc1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c(OC2CCCC2)c1 478689829 HCERKBQUMKLCSX-UHFFFAOYSA-N 443.503 5.636 30 20 IKED Cn1cc(CNCc2ccc(-c3ccc4c(c3)CCCO4)cc2)c(-c2ccc(C#N)cc2)n1 480015615 IMFDMGBLNOBXTB-UHFFFAOYSA-N 434.543 5.241 30 20 IKED CCN(C(=O)CCc1ccc(C#N)cc1)[C@H](c1cccnc1)c1csc2ccccc12 480972735 SCGURWOZAMITMV-AREMUKBSSA-N 425.557 5.739 30 20 IKED C=CCn1c(SCC(=O)NCCC=C(C)C)nnc1-c1ccc(Cl)cc1Cl 480984496 UKPKCDRRCQAUMY-UHFFFAOYSA-N 425.385 5.003 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C[C@H](c2ccccc2)O1 481569559 KWAPTIHZOOFODE-IQGLISFBSA-N 445.494 5.270 30 20 IKED CCC(CC)[C@@H]1C[C@@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCO1 481611631 LVRHRTSQRRMUSW-DHLKQENFSA-N 435.568 5.437 30 20 IKED N#CCC[C@@H](NC(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccccc1 482427553 XGSKEFCNCVKKRH-NVXWUHKLSA-N 427.373 5.236 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc2c(cc1Br)CCC2 483535758 WLISDZAWMOBNSA-UHFFFAOYSA-N 431.378 5.325 30 20 IKED N#CCCN(C(=O)C1CCN(c2nc3ccccc3s2)CC1)C12CC3CC(CC(C3)C1)C2 486586149 KGWFRXKCMNTUSD-UHFFFAOYSA-N 448.636 5.224 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@H](C)c1nnc(-c2cccs2)o1 489693048 WSDMXIJBVUUYIF-CQSZACIVSA-N 425.539 5.008 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 490871386 PELNHVVEGHIHSP-NRFANRHFSA-N 428.458 5.511 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1cccc(F)c1)C(C)(C)C 493924242 HAEPNYHLDIUEJK-MGPUTAFESA-N 427.545 5.062 30 20 IKED Cc1ccc(C[C@@H](C#N)Sc2nnc([C@H](C)N(C)C)n2-c2ccc(Cl)cc2)cc1 494342628 BWCPBCFJIIHHCW-JXFKEZNVSA-N 425.989 5.079 30 20 IKED C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 498096683 ZRRRSHUXRUNXKE-LLVKDONJSA-N 446.853 5.910 30 20 IKED N#C[C@@H](NC(=O)CCCCc1nc2ccccc2s1)c1ccc(Br)cc1 499413855 WHLDXLWUPROPIR-QGZVFWFLSA-N 428.355 5.153 30 20 IKED N#C[C@@H](NC(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1c(Cl)cccc1Cl 499816708 NAPYAEZKELYPGP-LJQANCHMSA-N 430.335 5.507 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)N(Cc1ccc(C#N)cc1)CC(C)C)O[C@H](C)C2 499914194 RQJLGYHDXMVPHE-RVSNTGDXSA-N 432.564 5.069 30 20 IKED C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1)C(=O)N(C)CCC#N 501558081 BHGXQWAPOAHWSF-KRWDZBQOSA-N 439.629 5.210 30 20 IKED Cc1cc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)nn1-c1cccc(C#N)c1 503367587 JSYUXOSTMLFNCX-UHFFFAOYSA-N 438.453 5.091 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1cccc(-c2noc(C(F)(F)F)n2)c1 503639147 ZVANGKMJQAYIDJ-CQSZACIVSA-N 447.310 5.318 30 20 IKED C[C@@H](CCNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1ccccc1 504735372 XPATUWIGOFZMML-IBGZPJMESA-N 443.572 5.213 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(C(=O)Nc2ccccc2)c1 505321015 PDKBFXKSIBZLPJ-UHFFFAOYSA-N 448.482 5.559 30 20 IKED C[C@@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)C(c1ccccc1)c1ccccc1 505323977 BEAOYQWAFXWWLD-JOCHJYFZSA-N 438.575 5.001 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c(C)n(CCC)c3ccc(OC)cc23)cc1 508144972 XFJKWHPATWDNAQ-UHFFFAOYSA-N 445.563 5.435 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)cc1 508276945 XUXYODANVLBRIS-JOCHJYFZSA-N 445.494 5.737 30 20 IKED C=CCn1c(SC[C@@H](OC)c2ccc(Cl)cc2)nnc1[C@@H]1COc2ccccc2O1 509099651 OKVSZLHVFNHFJS-VQTJNVASSA-N 443.956 5.110 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1csc(-c2cc(Br)cs2)n1 509574965 LSJUZKDZRAAEMY-UHFFFAOYSA-N 448.367 5.545 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(N2CCCCC2)nc1 510756835 ZPDFZEFAOKXMJQ-UHFFFAOYSA-N 441.535 5.366 30 20 IKED N#C[C@H](C(=O)c1ccc(I)c(F)c1)c1nc(-c2ccccc2)cs1 511727925 DAJQOBZOBIAUDL-CYBMUJFWSA-N 448.260 5.044 30 20 IKED COC(=O)c1c(F)cc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F 512558208 CLZVKWCLCJAFHD-UHFFFAOYSA-N 427.247 5.041 30 20 IKED Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 512752965 SZJOYFZYJCDELS-UHFFFAOYSA-N 425.467 5.226 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4nc5ccccc5n4C)cc3)o2)cc1 513667044 QQMLEUBMGCNMPI-FQEVSTJZSA-N 433.471 5.089 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)CCCOc3ccc(Cl)cc3)s2)cc1 515598960 QZENEZTURFZGEV-UHFFFAOYSA-N 444.969 5.153 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccccc2OCc2ccc(Cl)cc2)n1 517915933 YTYQTRWYEBYFBS-QGZVFWFLSA-N 440.908 5.042 30 20 IKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccc(F)cc1Cl 518148100 YXJLWQRLURBVAB-LLVKDONJSA-N 445.869 5.943 30 20 IKED N#C[C@@H](C(=O)c1ccc(SCc2ccccc2)cc1)c1nc(-c2ccncc2)cs1 518642063 OHKKFPICSQUIQG-NRFANRHFSA-N 427.554 5.987 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccccc2NCC(F)(F)F)cc1 520121889 RUKXDBKYGLWUDB-UHFFFAOYSA-N 425.410 5.364 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1 520598268 YGIIIYUMKSIYGY-UHFFFAOYSA-N 437.503 5.638 30 20 IKED CC1CCN([C@H](CNC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccc2)CC1 520936832 JSHYWLKFCPMKMG-NFBKMPQASA-N 436.625 5.676 30 20 IKED Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)c12 521352850 TVISAHOXYCJGHR-IBGZPJMESA-N 436.393 5.212 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)nnn1-c1cccc2ncccc12 521794373 QNKJOTLLQAWLNJ-UHFFFAOYSA-N 446.470 5.040 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCOc2ccccc2C(C)C)cc1C 522035051 ULVZOBLQVSNBFO-UHFFFAOYSA-N 430.552 5.013 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)c1 522451092 BJAQVDNPIHPXKR-WJOKGBTCSA-N 433.533 5.321 30 20 IKED Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 524128378 OOSJLJHEHLYFER-ZJSXRUAMSA-N 439.559 6.050 30 20 IKED Cc1cc(Br)cc(C)c1CNC(=O)Nc1ccccc1SC[C@H](C)C#N 524566317 RJLHVQYZXUTMMZ-CYBMUJFWSA-N 432.387 5.639 30 20 IKED Cc1cc(C)c2c(c1)c(C)cc1nnc(SCc3nnc(-c4ccc(C#N)cc4)o3)n12 525623785 CEJQIHSAUGQBMP-UHFFFAOYSA-N 426.505 5.022 30 20 IKED Cc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cc1C(F)(F)F 525856109 DIRMERVRLDFYBA-UHFFFAOYSA-N 439.393 5.255 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](C)c3ccccc3-c3ccc(Cl)cc3)CC2)o1 527248199 RCQNAZROAHTJBA-MRXNPFEDSA-N 448.954 5.269 30 20 IKED Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)c[nH]c12 532029997 YPUFSKZIARNRRV-UHFFFAOYSA-N 431.398 5.031 30 20 IKED CC(C)(C)[C@H]1CCc2sc(-c3nnc(SCCCC4(C#N)CCOCC4)o3)cc2C1 537308967 ZIUSILXXSJJPCS-KRWDZBQOSA-N 445.654 6.142 30 20 IKED CCN(C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1ccc(C#N)c(Cl)c1 539173336 QDGNGAXQZGSOLZ-UHFFFAOYSA-N 446.963 5.818 30 20 IKED COc1ccc(CN(C)[C@@H](C)c2sc(-c3ccccc3)nc2C)cc1OCCCC#N 539837770 ADTUERNFQWOAHK-IBGZPJMESA-N 435.593 6.003 30 20 IKED CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 540545801 UKWKTKDLPBUVHD-AVRWGWEMSA-N 447.510 5.368 30 20 IKED COC[C@@H](C)CC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 541229466 MRRFIPAFKXPEDX-SDBXPKJASA-N 425.291 5.116 30 20 IKED Cn1cnc2cc(CNc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)ccc21 541832907 SINWBFWPFUFVNB-UHFFFAOYSA-N 427.455 5.123 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 542031960 DBCRBKSWSKINDR-ZDUSSCGKSA-N 431.393 5.127 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)[C@@H]3CCn4c(cnc4C4CCCCC4)C3)n2)c1 542447311 QCMLDBYQUCSDEP-LJQANCHMSA-N 431.565 5.127 30 20 IKED N#Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1Cl 547647307 OICIMDLJFHKKPN-CQSZACIVSA-N 432.719 6.132 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)Nc1ccccc1CN(C)C 551707581 IKYOYJLVOVTWSR-UHFFFAOYSA-N 448.592 5.339 30 20 IKED CC(C)(C(=O)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1cc(F)cc(C#N)c1 552429140 QVOAFJWFFSCFCP-GOSISDBHSA-N 433.552 5.020 30 20 IKED CCc1ccc([C@H](N[C@H]2CCCc3cc(C#N)ccc32)c2cccc(S(C)(=O)=O)c2)cc1 552956744 OJHNQEJKVDTBAU-SVBPBHIXSA-N 444.600 5.281 30 20 IKED N#C[C@@H](C(=O)c1cccc(-n2cccn2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 554733925 AWHZUOUOPHHEAR-KRWDZBQOSA-N 439.327 5.793 30 20 IKED N#CCc1ccccc1NC(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21 555514162 LUROSNJYYFYMQM-UHFFFAOYSA-N 435.314 5.715 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCC1(c2cccc(Br)c2)CC1 564042422 UJFGOAROPVMFEM-HNNXBMFYSA-N 444.398 5.554 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC([C@H](F)c2ccccc2F)CC1 564481283 BXRMGWKMDFSVMC-ZHRRBRCNSA-N 429.536 6.032 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCc4c(Br)cccc4C3)cc2)ccn1 568334222 VANJOBMLNSAAPB-UHFFFAOYSA-N 449.308 5.098 30 20 IKED C[C@H](NCc1ccc(Br)cc1C#N)c1cccc(NC(=O)c2ccccc2)c1 578630636 OTPNOHLVNLHVPB-INIZCTEOSA-N 434.337 5.424 30 20 IKED N#Cc1ccc(CN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c(C(F)(F)F)c1 579417992 UGXRLWIJYRJZMU-KRWDZBQOSA-N 430.405 5.146 30 20 IKED CN(C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F)[C@H]1CC[C@@H](C(F)(F)F)CC1 582450080 DSTAVCBDAGTCNK-UHIISALHSA-N 448.354 5.654 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@H](C#N)c3nc4ccccc4[nH]3)c2)cc1 589830706 NPJLHBMRLRLITI-QHCPKHFHSA-N 437.499 5.154 30 20 IKED C=CCc1cc(CNC(=O)N(Cc2ccccc2)Cc2ccccc2)cc(OC)c1OC 591583390 DHKLJPLKJJHEPE-UHFFFAOYSA-N 430.548 5.344 30 20 IKED C=CCN1CCC(NC(=O)Nc2ccc(-c3nc4ccc(OCC)cc4s3)cc2)CC1 592524133 DJVBTSQBGUFPGB-UHFFFAOYSA-N 436.581 5.134 30 20 IKED Cc1ccc(C(=O)c2ccccc2C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1C 592973167 AFPVMSQEPWBDJW-FQEVSTJZSA-N 428.488 5.773 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(CN3CCCC3=O)c2)cc1 603558379 MDHNGVWXFIXJJR-UHFFFAOYSA-N 441.556 5.225 30 20 IKED CC(C)(C)c1ccc(C(=O)Nc2ccccc2NCC(=O)Nc2cccc(C#N)c2)cc1 604007274 CPWOZBBSHBGUOJ-UHFFFAOYSA-N 426.520 5.159 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H](c1ccc(F)cc1)c1ccccc1Cl 604008052 HLXNCHRWOGTKIA-QFIPXVFZSA-N 428.294 5.322 30 20 IKED C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604457100 RDKDWPFZKGAHGH-MRXNPFEDSA-N 449.507 5.189 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N1CCC(c2ccccc2F)CC1 605957469 ZJWGFHVKCXVBTN-KBPBESRZSA-N 440.403 5.624 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 608850714 CJSSLUGPABQFLG-FQEVSTJZSA-N 446.469 5.498 30 20 IKED CCc1c(C)sc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)c1C#N 609031705 UJQWJSJJGZDFLR-UHFFFAOYSA-N 431.492 6.204 30 20 IKED CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 609296912 HRQVJXYJNSSKMO-UHFFFAOYSA-N 434.467 5.169 30 20 IKED N#C[C@@H](NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1)c1cccc(Cl)c1Cl 609414507 VFNIABRANUJOFA-SUMWQHHRSA-N 445.375 5.201 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3cccs3)Cc3cccs3)cn2)c1 609601495 SFVLTARSNVUAAI-UHFFFAOYSA-N 446.557 6.103 30 20 IKED Cc1nc(-c2cnn(C)c2)sc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 609640496 VSLYKKDCFFMSEP-CQSZACIVSA-N 439.610 5.189 30 20 IKED C[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc2c(c1)CCC(=O)N2 609723562 FPVUJZJUIUQQPR-HNNXBMFYSA-N 445.906 5.380 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(OCC3CCCCC3)CC2)cc1 610322146 GOBQJNZERDPLQC-UHFFFAOYSA-N 433.552 5.944 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCc2c(F)cc(Br)cc2C1 610730501 HLFJXWUJFZHGJZ-ZDUSSCGKSA-N 448.361 5.573 30 20 IKED N#CCCn1cc(CNc2cccc(C[S@](=O)c3ccccc3)c2)c(-c2ccccc2)n1 610911507 ZUCQFFBFRHWCQE-YTTGMZPUSA-N 440.572 5.384 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)cc1 615000060 ZXHPMCCWBLANOQ-UHFFFAOYSA-N 426.472 5.180 30 20 IKED C[C@H](NC(=O)NCc1ccc(C#N)c(Cl)c1)c1cccc(NC(=O)c2ccccc2)c1 619767610 BBPVPJYPBJZBIB-INIZCTEOSA-N 432.911 5.024 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N2CC=C(c3c(F)cccc3F)CC2)c1C(F)F 681143725 CHKXDZYMIPJTCQ-UHFFFAOYSA-N 435.343 5.067 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)c1Br 682990651 ODCWLWVDVAMTTP-QGZVFWFLSA-N 436.334 5.551 30 20 IKED Cc1ccc(Cl)c(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1Cl 728446389 YVLZOSRRXRPGGJ-UHFFFAOYSA-N 442.371 6.561 30 20 IKED Cc1sc2nc3n(c(=O)c2c1-c1ccccc1)CC/C3=C\c1ccc(O[C@@H](C)C#N)cc1 728699266 DVZNAEZYQPUZDN-RZKQZQCBSA-N 439.540 5.669 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c23)cc1 729346832 IURHJJCUGIZGBL-UHFFFAOYSA-N 430.533 5.745 30 20 IKED N#C[C@@H](C(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1)c1nc2ccccc2s1 730070820 BGAQUFKJPOUOQX-FQEVSTJZSA-N 432.932 5.948 30 20 IKED COc1cc(C)c(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1OC 731319332 OYDALYYZICVPFB-FLIBITNWSA-N 436.533 5.358 30 20 IKED Cn1c(CC(=NOCc2cc(Cl)cc3cccnc23)c2ccccc2)nc2ccccc21 731664433 MYXXZFQLMJCGSP-UHFFFAOYSA-N 440.934 5.939 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)OCc3ccc(OCc4ccncc4)cc3)cc2)nc1 733495321 MOWGFTWQZLHNKQ-UHFFFAOYSA-N 437.455 5.077 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2cccs2)Cc2cccs2)cc1 733621311 JMTVWICMOQPMDK-DEOSSOPVSA-N 443.597 6.699 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)ccc1OC 733640775 NAOOMMKEFHPXCI-CZUORRHYSA-N 436.339 5.243 30 20 IKED N#CCOc1ccc(Cl)cc1CSCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 735318281 JIWWQZMWIPHZLX-UHFFFAOYSA-N 444.940 5.156 30 20 IKED Cc1ccc(Cn2nc(C)c(C(=O)OCc3cc(Cl)ccc3OCC#N)c2Cl)cc1 735332961 KONMINHPWYEYAO-UHFFFAOYSA-N 444.318 5.114 30 20 IKED COCCOc1cccc(F)c1C(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 741840647 BCELZDLBWGBZEJ-RMKNXTFCSA-N 445.830 5.569 30 20 IKED O=C(/C=C/c1ccc(-c2cccs2)cc1F)c1ccc(S(=O)(=O)CC(F)F)cc1 741851926 FZQNYCNCYKEELU-JXMROGBWSA-N 436.476 5.489 30 20 IKED Cc1cccc2c(CCC(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c[nH]c12 744038327 QMMRIFXLLZWCLD-MRXNPFEDSA-N 427.451 5.914 30 20 IKED Cc1cc(C(=O)OCc2nnc(-c3cccc(C#N)c3)o2)c(C)n1-c1cccc(Cl)c1 744855522 FSXVMSUJMSTSEH-UHFFFAOYSA-N 432.867 5.026 30 20 IKED C[C@@H](OC(=O)c1ccccc1Sc1ccccc1C#N)c1nnc(-c2ccc(F)cc2)o1 745924663 QKWKUQOIFZJUOC-OAHLLOKOSA-N 445.475 5.817 30 20 IKED CCN(Cc1cccc(Br)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 746658034 ANWMTQHPOCPNGI-QHCPKHFHSA-N 448.364 6.159 30 20 IKED N#C[C@H](C(=O)CSCc1cccc(OC(F)F)c1)c1nc(-c2ccccc2)cs1 750008089 SDBACVLPAMHBQR-QGZVFWFLSA-N 430.501 5.521 30 20 IKED CC(C)(C)Oc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 751152516 OHCILIIKENCJBA-OAQYLSRUSA-N 428.488 5.617 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H]2c2ccccc2Br)c1 755167278 SVLDTEYKSXTYMD-LAUBAEHRSA-N 442.357 5.177 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCCC[C@H]2CCc2ccccc2)ccc1OC 760834177 VBHNLCADRBTUFN-GOTSBHOMSA-N 435.568 5.073 30 20 IKED N#Cc1c(F)ccc(/C=C(/c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)c1Cl 761476281 GJAKTUVOMLRFTB-NDENLUEZSA-N 437.883 5.199 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cc(Cl)cc2cccnc12 763126501 WSPSSEFALTYHAU-UHFFFAOYSA-N 430.920 5.517 30 20 IKED Cc1ccc(-c2cc(C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)c3ccccc3n2)cc1 763766892 KSCOXBQMIQXEGZ-UHFFFAOYSA-N 444.498 5.223 30 20 IKED C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 765936001 PDFOVNROYZDGPD-IQGLISFBSA-N 447.510 5.104 30 20 IKED C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 766725282 XTFVWVWCCYHBLW-GAJHUEQPSA-N 434.536 5.232 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCn3c(cc4c(Cl)cccc43)C2)cc1 770181659 YDAQVKYMNZJLDB-QHCPKHFHSA-N 440.934 5.998 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CC3(CSc4ccccc4)CC3)n2)cc1 770844858 ZAIIGZBMSSEXOM-FQEVSTJZSA-N 429.570 5.821 30 20 IKED CC(C)Oc1ccc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)cc1C#N 772147641 HSOHQTAKSWJMFG-UHFFFAOYSA-N 429.904 5.598 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)c1 772983425 HWWTZZDIEANTPP-DENIHFKCSA-N 433.577 5.667 30 20 IKED C=CCC[C@H](NC(=O)N1CCC(C(=O)C(F)(F)F)CC1)c1ccc(C(F)(F)F)cc1 773400699 BYBPBRHHYXYHEA-INIZCTEOSA-N 436.396 5.266 30 20 IKED CCC(C)(C)N/C(S)=C(/C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)[n+]1ccc(C)cc1 773939691 WVHYUZPURFMUEF-UHFFFAOYSA-O 440.633 5.068 30 20 IKED C[C@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)c2cc(F)ccc2CN1C(=O)OC(C)(C)C 777103032 QQFCZAMNTLWNQW-KRWDZBQOSA-N 449.526 5.167 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H]1CCN(Cc2ccccc2)C1 779019819 IDYBAAGXCHPUNV-NOOLENRPSA-N 438.575 5.374 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 780153768 XRBYRAANWZYPOH-SFHVURJKSA-N 439.515 5.706 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1oc2ccccc2c1CSc1ccc(F)cc1 780159051 MXUKXILSVSDDAP-MRXNPFEDSA-N 446.503 6.407 30 20 IKED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)C2 797568609 UHVYLMUCXJNSQV-ULQDDVLXSA-N 431.602 5.185 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)O[C@H](C)c2ccc(C(F)(F)F)cn2)c1C(F)F 798676530 QVRYXPORJCUDQQ-SSDOTTSWSA-N 431.283 5.191 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)/C=C\c1ccccc1F 799920702 IXJLHZVEBUUDQB-FLIBITNWSA-N 430.448 5.263 30 20 IKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 802042408 QQWXUBSKUHNJKO-LSDHHAIUSA-N 433.188 5.370 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccc3cc(OC)ccc3c2)nnc1-c1ccco1 803453836 UFVJUESIDCTKDS-UHFFFAOYSA-N 434.521 5.007 30 20 IKED C[C@@H](OC(=O)c1cc(C#N)ccc1Cl)C(=O)N1c2ccccc2Sc2ccccc21 803834925 XLKNTNQINYHRPC-CQSZACIVSA-N 434.904 5.586 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cccc(C(=O)O)c2)cs1 806559228 XHWXBLFQJFOCOI-JXMROGBWSA-N 426.881 5.075 30 20 IKED CSc1nc(C2CC2)cc(-c2nc(Cc3nc(-c4ccccc4)oc3C)no2)c1C#N 809277059 JPFQMWJPBNWIST-UHFFFAOYSA-N 429.505 5.157 30 20 IKED Cc1c(-c2ccccc2)oc2c(C(=O)Nc3sc4c(c3C#N)CCC4)cccc2c1=O 877883210 AISHEDMCNQTVTH-UHFFFAOYSA-N 426.497 5.443 30 20 IKED CCc1cccc(N=C2NC(=O)[C@@H](CC(=O)Nc3ccc(Oc4ccccc4)cc3)S2)c1 913098852 ILCGCUJDFKJSSA-JOCHJYFZSA-N 445.544 5.289 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1 915351840 CKYPZUFZAUKAQU-FQLXRVMXSA-N 443.550 6.522 30 20 IKED CCc1ccc([C@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C(C)C)cc1 915734138 GQXNAPWKARKUDA-CLJLJLNGSA-N 439.559 5.356 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)cc1OC 916071568 GPLZHIFFOUESGZ-QINSGFPZSA-N 442.515 5.473 30 20 IKED N#CCCn1cc(/C=C\C(=O)c2cc3cc(Br)ccc3o2)c(-c2ccccc2)n1 916130590 XVWWVFJQCXZSOS-CLFYSBASSA-N 446.304 5.869 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccccc2)n1)C(=O)Nc1ccc(SC(F)F)cc1 916888652 YOKTYSOBBYNLOY-KRWDZBQOSA-N 443.500 5.015 30 20 IKED COc1ccc(S[C@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916907834 XUJDJBHLGHVVTA-DYESRHJHSA-N 446.528 5.316 30 20 IKED CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(CC)cc2)cc1 917612709 CNLIXQUYQFTOLA-UHFFFAOYSA-O 428.581 5.684 30 20 IKED N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccccc1)[n+]1ccc(Cc2ccccc2)cc1 917613215 NBVDJRJYBIJORD-UHFFFAOYSA-O 448.571 5.760 30 20 IKED N#Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 917645017 QVOHCAXPOANPNA-ODLFYWEKSA-N 433.470 5.132 30 20 IKED N#Cc1ccccc1/C=C\C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 918185101 XPCBRIDONHEVTG-WAYWQWQTSA-N 444.331 5.092 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 920105335 BSBMQARNLQNWKM-QFIPXVFZSA-N 444.494 5.534 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(Br)cs4)CCC3)cc2)C1 1785806828 YFCUSEUKXNLMQU-UHFFFAOYSA-N 445.382 5.225 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C[C@@H]4CCCCO4)cc3)CCC2)c1 1786648763 AZLMMDLLZPDIML-DVECYGJZSA-N 445.563 5.021 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)Cc4ccccc4C(F)(F)F)cc3)CCC2)C1 1787750614 KRELBZRYCRTGGY-UHFFFAOYSA-N 442.481 5.348 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CSc3ccncc3)CCC2)cc1 1789452921 GCDGKQMIBJQUJC-QFIPXVFZSA-N 435.593 5.076 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CS[C@@H]3CCCCO3)CCC2)cc1 1789626546 WEUASTOQAZTKHQ-JOCHJYFZSA-N 444.641 5.373 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4c(Cl)cccc34)cc2)CCC1 1790959164 UPJANSOJRZMQHH-UHFFFAOYSA-N 433.939 5.373 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)CCC2)cc1 1791580448 CSVUMEWIWIPROI-NHCUHLMSSA-N 436.502 5.006 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)c1 1797879157 OSLGGUCAVIQREC-NVDLQLNVSA-N 447.623 5.172 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(Cl)cc3C)C2)CC1 1805092479 LNABRKXXSHBSFW-NRFANRHFSA-N 429.004 5.262 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)n[nH]1 1818931945 XQFCVBVJGJYZNL-JRBPQWBISA-N 448.558 5.220 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)[nH]n1 1819554536 GCNFVJJEPCXZOT-NRFANRHFSA-N 433.556 5.189 30 20 IKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2-c2ccc(C)cc2)[nH]n1 1823421355 YUQPQARYAZMZQO-DEOSSOPVSA-N 440.547 5.104 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@]2(F)CCCC=C2F)CC1 1832981827 XKKSBNVHRLQHDX-CJFMBICVSA-N 436.587 5.344 30 20 IKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2ccccc2)cc1 10172848 KQBHMVQTOASYJS-UHFFFAOYSA-O 441.523 5.750 30 20 IKED COc1c(O)cccc1/C=C(/C(=O)Nc1c(C)cc(C)cc1Cl)C(=O)c1ccccc1 11332493 JFHPFXRNLVIRCW-XMHGGMMESA-N 435.907 5.576 30 20 IKED CCOc1ccc(N(C(=O)COc2ccccc2C#N)c2nc3ccccc3s2)cc1 14381696 NXAZKYHGPRZYPG-UHFFFAOYSA-N 429.501 5.310 30 20 IKED N#CCC[C@H](C#N)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 15244492 LPTJRLPEOPDGJL-MRXNPFEDSA-N 442.375 5.836 30 20 IKED N#CCSc1ccccc1NC(=O)CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1 15333329 OCNFIWUMGFUAJY-UHFFFAOYSA-N 433.493 5.005 30 20 IKED N#CCc1ccc(NC(=O)CSc2ncnc3scc(-c4ccc(F)cc4)c23)cc1 20068162 ILNVPXMQPXJPLV-UHFFFAOYSA-N 434.521 5.294 30 20 IKED C=CCN(Cc1ccccc1)C(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1 24498150 ZZBVBQPPZBCRTO-WYMLVPIESA-N 432.520 5.107 30 20 IKED Cc1ccccc1N/C(S)=C(/C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccc(C(C)(C)C)cc1 28778839 BAVOWSZLSNPVBX-UHFFFAOYSA-O 448.568 5.539 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)nc2sccc2c1=O 36800391 YMVZAQCIENYIIJ-HXUWFJFHSA-N 447.585 5.425 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cccc(NC(=O)CCCc2cccs2)c1 58136148 CSSMFGCHLXPEPT-UHFFFAOYSA-N 445.588 5.632 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2sccc2Br)cc1 60453752 UOZGKTPHGYOYHF-UHFFFAOYSA-N 443.391 5.605 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 65308316 WJLLXLYMTFFZQY-UHFFFAOYSA-N 434.367 5.001 30 20 IKED CC(=O)Nc1nc2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2s1 107830889 WDMCYAUQZIWKAY-UHFFFAOYSA-N 444.541 5.530 30 20 IKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)(C)CCC)c1 116236751 UZRORHUNWHDFMC-UHFFFAOYSA-N 434.989 5.030 30 20 IKED Cc1nc2cc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)ccc2n1-c1ccccc1 195557473 GMCJGWBZMDXMCQ-SFHVURJKSA-N 441.441 5.569 30 20 IKED C=CCOc1c(Br)cc(CN[C@H](C)c2ccc(OC)c(F)c2)cc1OCC 302719585 QCLLIKQFOAQABM-CQSZACIVSA-N 438.337 5.411 30 20 IKED C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 303186911 LQBBMOBVDSOYON-INIZCTEOSA-N 433.489 5.165 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1ncc(-c2ccc(F)cc2)o1 303250436 BXAILEPZPVDYHX-CQSZACIVSA-N 427.526 5.463 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)Cc2csc(Cc3cccc(Cl)c3)n2)cc1 426463100 WZTTXGJDEDZZNL-UHFFFAOYSA-N 439.968 5.275 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CSc2ccc(Br)cc21 426852467 AIPASHYTNXANSO-SFHVURJKSA-N 430.371 5.088 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])s1 430596041 NNXWLZOWSBCNEF-SFHVURJKSA-N 435.505 5.418 30 20 IKED N#CCCC[C@@H](c1ccccc1)N1C(=O)CN(CCc2ccc(Cl)cc2Cl)C1=O 432029007 ZVGPTPFZLJKXBJ-FQEVSTJZSA-N 430.335 5.235 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 432094660 HBAARRKSDSDKKP-YRGRVCCFSA-N 436.400 5.440 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1nc(-c2ccccc2)cs1 435884336 QSJXEKFHOWUGDZ-MRXNPFEDSA-N 439.631 5.934 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1csc(-c2ccc(Cl)s2)n1 436346034 ZQTKUAWXTGXZOF-IAGOWNOFSA-N 427.982 5.366 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCc4c(F)ccc(F)c4C3)c2)cc1 438625569 FONONKDDACFWBB-UHFFFAOYSA-N 433.458 5.200 30 20 IKED COc1ccccc1Oc1ccc(N[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1F 439574196 VANXREXOJUJKLC-SFHVURJKSA-N 433.483 5.374 30 20 IKED CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)N[C@H](CCC#N)c1ccccc1 440251496 BVKATVGOQVGWOP-AREMUKBSSA-N 449.558 5.726 30 20 IKED O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)N(CCC(F)(F)F)CC1CC1 443190796 VRULKSHVKCFTGQ-UHFFFAOYSA-N 426.376 5.250 30 20 IKED C=CCn1c(S[C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)nnc1-c1ccoc1C 443521367 MRPRHOWBWNLBDP-AWEZNQCLSA-N 426.929 6.194 30 20 IKED N#CCCCn1cc(C(=O)NCCCCc2nc(-c3cccnc3)cs2)c2ccccc21 444146705 VDPXZKKLRKYRPJ-UHFFFAOYSA-N 443.576 5.216 30 20 IKED CC(C)(Cc1ccccc1)c1noc(C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 445803271 RFBWTKLAWAUSIP-UHFFFAOYSA-N 443.507 5.094 30 20 IKED C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]1c1csc(C)n1 460382829 GJXOYRFQNQPDHF-GOSISDBHSA-N 444.402 5.390 30 20 IKED C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](OCCC)CC1 460390499 WPNLVRAJTPTRAN-KRWDZBQOSA-N 433.394 5.069 30 20 IKED Cc1ccc(S[C@H](C(=O)Nc2cnn(-c3ncccc3C#N)c2)c2ccccc2)c(C)c1 461280032 ZBOMTGXFRRXINC-QHCPKHFHSA-N 439.544 5.228 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N(C)S(=O)(=O)c2ccc(Cl)cc2C#N)cc1 462499211 DIKHTLIDEJOIJJ-MRXNPFEDSA-N 440.952 5.269 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 464416390 IEYCQCZWUSKKCO-OAHLLOKOSA-N 447.413 5.352 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)cc1 464923996 RAQLTMOQHUPFOZ-UHFFFAOYSA-N 439.515 5.424 30 20 IKED CC(C)(C)Cc1nc(-c2ccc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc2)no1 464943617 UWPOVZJGQDXLIZ-VXKWHMMOSA-N 428.536 5.237 30 20 IKED N#Cc1cc(Br)ccc1OCc1nnc(-c2c(Cl)cccc2Cl)o1 469065744 SIAACYBHEQKEBV-UHFFFAOYSA-N 425.069 5.257 30 20 IKED N#CCCCN1C(=O)CCc2cc(NCc3ccccc3OCc3ccccc3)ccc21 469261727 XJJPLYWXIKJATQ-UHFFFAOYSA-N 425.532 5.461 30 20 IKED O=C(c1c(F)cccc1F)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469742909 RRAHSOHAKQGHKU-OAHLLOKOSA-N 439.302 5.216 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1 472839780 MOPBTXMATGKGRN-CTNGQTDRSA-N 447.926 5.571 30 20 IKED C=CCNC(=O)Nc1ccc(N[C@H](c2ccccc2)c2nc(-c3ccccc3)no2)cc1 475760018 RSMZQSFKQXLRPN-JOCHJYFZSA-N 425.492 5.246 30 20 IKED N#Cc1c(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)sc2c1CCCCC2 476674553 WBSGDANWSKJTRM-UHFFFAOYSA-N 447.482 5.287 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@H](c3ccccc3)[C@H]3CCCO3)cc2F)c1 481567084 AYHMHMOIDNOPMC-JWQCQUIFSA-N 445.494 5.318 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C[C@@H](c2ccccc2)O1 481569558 KWAPTIHZOOFODE-CJAUYULYSA-N 445.494 5.270 30 20 IKED CCCN(CCC)C(=O)c1cccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c1 482992445 KWUYLKHJAAYTKH-UHFFFAOYSA-N 431.561 5.801 30 20 IKED CCc1onc(-c2ccc(Br)cc2)c1C(=O)Nc1ccc(C#N)cc1Cl 483863925 CUPQNGDSLHNHPS-UHFFFAOYSA-N 430.689 5.444 30 20 IKED C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)c1cnc(C(F)(F)F)c(C#N)c1 483898234 RSWYSOTUWCNVDK-AOMKIAJQSA-N 435.449 5.191 30 20 IKED CCCN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@H]1CCc2ccccc21 484905472 LEDOBIXRKRUBNC-VWLOTQADSA-N 439.515 5.215 30 20 IKED C=CCN(C(=O)c1sc([C@@H](C)OC)nc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 487206857 XREGFYWNXGQKQU-CYBMUJFWSA-N 444.538 5.023 30 20 IKED COc1ccc([C@H](NCc2ccc(C#N)cc2F)c2ccccc2)cc1Br 488064414 HQUMIBDZEDPSFX-JOCHJYFZSA-N 425.301 5.348 30 20 IKED COCCN(Cc1scnc1C)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 488886961 WCNAFPPKYKYPBN-UHFFFAOYSA-N 441.940 5.058 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc3c(cc2F)NC(=O)CC3)cc1Cl 494532169 MNESECXNHGFVDD-LJQANCHMSA-N 433.870 5.272 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N[C@@H](c3cccc(F)c3)c3ccccn3)c2)c1 498886878 MIIXEGTWLGNNAJ-SANMLTNESA-N 437.474 5.191 30 20 IKED CCN(C(=O)c1oc2ccccc2c1CSc1ncccn1)[C@H](C)c1ccc(C#N)cc1 499371212 HYVFREXIEHNFOU-QGZVFWFLSA-N 442.544 5.610 30 20 IKED Cc1nc([C@@H]2CCCCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)no1 500921395 FKOWRWZUQOVPCQ-IRLDBZIGSA-N 449.942 5.836 30 20 IKED CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(-c2nc3c(Cl)cccc3[nH]2)cc1 503011129 UCFZTDSHUOZLDK-HSZRJFAPSA-N 438.915 5.083 30 20 IKED CCSc1ccc([C@H](C)NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1 505118120 BWVCXOHKKRNQRD-IBGZPJMESA-N 432.593 5.684 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCCc1nc(-c2cccs2)no1 510239772 KGHBVBBYSSGABS-UHFFFAOYSA-N 444.516 5.732 30 20 IKED C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510242314 YWYZAHSDXSHFDT-ZDUSSCGKSA-N 427.530 5.066 30 20 IKED CCOc1cc(C#N)cc(Br)c1OCc1nc(-c2cccc(Cl)c2)no1 511446486 UNDJTNPPEMPYCU-UHFFFAOYSA-N 434.677 5.002 30 20 IKED CC(C)c1c(C(=O)NCCSCc2ccccc2C#N)cnn1-c1ccc(Cl)cc1 512639101 CYPAZOMKEGCFMH-UHFFFAOYSA-N 438.984 5.184 30 20 IKED COc1ccc(OC)c(NC(=O)[C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 512918780 SYILYRQZVRWOOS-QGZVFWFLSA-N 431.492 5.115 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1 513486935 YCVDYVSKOSZHOA-UHFFFAOYSA-N 444.494 5.933 30 20 IKED Cn1c([C@H](C#N)C(=O)c2ccccc2Oc2cccc(Br)c2)nc2ccccc21 513665479 DZNAGYSQDMAPIN-GOSISDBHSA-N 446.304 5.618 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cnn(-c4cccc(Cl)c4)c3)c2)c1 515703162 LTFZIPLLRPLVDH-UHFFFAOYSA-N 428.879 5.229 30 20 IKED Cc1nc(COc2cccc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)c2)cs1 520567137 MSZJDPLNVZCSHX-UHFFFAOYSA-N 441.512 5.947 30 20 IKED Cc1cc(F)ccc1N1CCC[C@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 522702601 UTFGDBQHRCAORH-MJGOQNOKSA-N 426.561 5.319 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3ccccc3OC(F)F)cc2F)c1 522816527 KRBXEKRTASSKNZ-UHFFFAOYSA-N 426.394 5.059 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccccc2N2CCCC2=O)c1 523879586 UEXCHQJORWMASE-UHFFFAOYSA-N 431.879 5.383 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)COc1c(Cl)cccc1Cl 524388872 AJNGVQATHYEUAM-UHFFFAOYSA-N 441.314 5.770 30 20 IKED Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1C 535585580 UIMUXWYZBBPHOM-UHFFFAOYSA-N 447.922 5.332 30 20 IKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc([S@](C)=O)cc1 535956034 YUMLGHZQPXVELC-ZOKDDAQRSA-N 434.586 5.079 30 20 IKED C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 536854553 VKPZXUCEGNVBBR-SJCJKPOMSA-N 436.371 5.845 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3cccc(OCc4cccnc4)c3)cc2)c1 537737053 IINRCCXIMRVNAX-UHFFFAOYSA-N 449.510 5.292 30 20 IKED N#CCC1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2Cl)CC3)CC1 541982194 GQSDKECTONPBTC-JZJYNLBNSA-N 441.962 6.141 30 20 IKED CN(C(=O)c1cc(O)nc2cc(F)ccc12)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 542180187 WFGUKQXVFASDIJ-KRWDZBQOSA-N 446.322 5.474 30 20 IKED CCCC(C)(C)N(Cc1cccs1)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 549324509 INTGAOFOLWYSJL-UHFFFAOYSA-N 432.611 5.047 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(Cl)cc(F)c1Br 555879702 NAENULIHLIQWIC-SNVBAGLBSA-N 427.726 5.746 30 20 IKED C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(Nc2cccc(OC)c2)CC1 558996549 JUHWLHQLNREHGK-UHFFFAOYSA-N 442.567 5.092 30 20 IKED N#Cc1ccccc1COc1cccc(CNc2ccc(C(=O)Nc3nccs3)cc2)c1 562900236 ZLQOGBVDCKTVID-UHFFFAOYSA-N 440.528 5.458 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2cccc(O)c2)CC2CC2)cc1 568450033 FGSUEQGLZAVRRF-UHFFFAOYSA-N 443.503 5.509 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](CCc1ccccc1)c1ccccc1 570949138 XLLHJCXTISZVJZ-AREMUKBSSA-N 427.548 5.090 30 20 IKED COc1cc(CSc2nccc(C(F)(F)F)n2)ccc1OCc1cccc(C#N)c1 580370926 AJINXQXBJJLSIH-UHFFFAOYSA-N 431.439 5.247 30 20 IKED C=CCn1c(-c2ccc(C)o2)nnc1N(CCC)Cc1nnc(-c2ccccc2Cl)o1 581636076 HRCZFAHOQWQVNI-UHFFFAOYSA-N 438.919 5.153 30 20 IKED CCC[C@@H](CNC(=O)CSc1nnc(C)c(C)c1C#N)c1ccc(Cl)cc1Cl 601716368 BOVXUJDFPJKOSS-AWEZNQCLSA-N 437.396 5.064 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)CCc1ccnc2ccccc12 605623257 NBFWTCTWKRKNMJ-UHFFFAOYSA-N 427.317 5.284 30 20 IKED CN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609080224 TYUMDAZHLRAISY-UHFFFAOYSA-N 441.865 5.733 30 20 IKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)N(CCC#N)c1ccccc1 609387093 LCRSVPZFGRUKFY-INIZCTEOSA-N 446.498 5.458 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(-c4nnc5n4CCCC5)cc3)c2)cc1 609428542 OSYNAZRFLIVRME-UHFFFAOYSA-N 435.487 5.198 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)cc1 609466005 ZOZOAZRKGZSXJR-RTBURBONSA-N 429.520 5.079 30 20 IKED C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 609968696 ZMSGSXPQOKSUKJ-AWEZNQCLSA-N 428.376 5.347 30 20 IKED COc1ccc(C2(NCCC(C#N)(c3ccccc3)c3ccccc3)CCOCC2)cc1 618286802 DSSOJGWSXXIRKS-UHFFFAOYSA-N 426.560 5.190 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 618765459 ABBDNRCSSULBRD-OAQYLSRUSA-N 448.885 5.412 30 20 IKED COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)C[C@@H](CC#N)c2ccccc2)cc1 619434640 LRAXUIXOVFZYIU-XMMPIXPASA-N 428.532 5.320 30 20 IKED COc1ccc(CCC2CCN(C(=O)c3cc(C4CC4)nc(SC)c3C#N)CC2)cc1 619714199 FEPKJPVZLPJPLI-UHFFFAOYSA-N 435.593 5.046 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 642282329 DKXMRRIYOSTKET-LBPRGKRZSA-N 440.431 5.137 30 20 IKED CC(C)c1noc2nc(C3CC3)cc(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)c12 642545278 LAWHFCJABMXSJV-UHFFFAOYSA-N 427.426 5.024 30 20 IKED C=CCN(C(=O)CCc1c(C)nc2c(c(C)nn2C)c1C)c1nc(-c2ccccc2)cs1 667933192 HWYYFPLLHOOVLH-UHFFFAOYSA-N 445.592 5.169 30 20 IKED CC(C)Oc1c(F)cc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F 680242040 VBDSLJFYSLTRLW-UWVGGRQHSA-N 448.354 5.783 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(-c2nc(C3CCC3)no2)c1 680695772 RRCSLFGDAKNCIL-UHFFFAOYSA-N 429.929 5.039 30 20 IKED N#CCSc1ccccc1C(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 728035707 JBGCZSFLKQZPDJ-UHFFFAOYSA-N 442.462 6.152 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 728062963 SZLYWWGAZRLNQZ-RUZDIDTESA-N 429.495 5.017 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)CCc2ncc(-c3ccc(OC)cc3)o2)c1 728181832 FPNISXTWSIHWKA-UHFFFAOYSA-N 442.540 5.559 30 20 IKED COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)ccc21 728465940 MGZHIGCYMKGBFV-SANMLTNESA-N 437.543 5.812 30 20 IKED COc1ccccc1C/C(C)=C/C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 730217933 DZROEHYOJDWVOK-AOVJHHBVSA-N 426.516 5.144 30 20 IKED Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)/C=C\c2ccccc2C#N)C3)cc1 731478799 OBZFSZAFLKTCBC-KAMYIIQDSA-N 436.515 5.109 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)N[C@@H](C#N)c1ccc(Cl)cc1)c1ccccc1 733258661 HWZHBLOYZYEYKB-PMACEKPBSA-N 427.932 5.067 30 20 IKED C#CCN(C(=O)N[C@H](c1ccccc1)C1CC1)[C@H]1CCOc2ccc(Br)cc21 733339131 QTMYVSLVXILBNF-RBBKRZOGSA-N 439.353 5.069 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)c1 733844402 LTULGCOJYLFKAL-LJQANCHMSA-N 426.948 5.333 30 20 IKED Cc1cc(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cnc1Cl 735266055 YBFMCTSTPRAIQS-GOSISDBHSA-N 432.332 5.153 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cccc(Oc2nccs2)c1 737316671 LXTGDMVMZIWHSO-INIZCTEOSA-N 445.472 5.211 30 20 IKED CCc1ocnc1C(=O)N1C[C@@H](c2ccc([N+](=O)[O-])cc2)SC1=Nc1ccccc1C 739495182 UIMNTSZHHMMQFM-IBGZPJMESA-N 436.493 5.072 30 20 IKED COc1ccc(/C=C2/CCc3cc(C#N)ccc3C2=O)cc1OCc1ccc([N+](=O)[O-])cc1 742437858 RZLAKDPKWHHOEJ-MTJSOVHGSA-N 440.455 5.267 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)OCc1nnc(-c2cccc(C#N)c2)o1 744529131 YGOBNNHMGSCIOR-UHFFFAOYSA-N 436.880 5.051 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C(C)(C)c1ccc2ccccc2c1 745415540 JNGOGOALJDGONS-SFHVURJKSA-N 446.572 5.694 30 20 IKED C[C@H](OC[C@H]1CCCCO1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 746416966 SOOLEPVVGLQVFW-JGGQBBKZSA-N 439.364 5.267 30 20 IKED C[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 747107772 BJRSMABNCDQZCA-CABZTGNLSA-N 430.118 5.751 30 20 IKED Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@H](CCC#N)c2ccccc2)c1 749220957 DCJFFKBEVHDSPI-CLJLJLNGSA-N 427.548 5.285 30 20 IKED C(=NNc1nc(-c2ccncc2)no1)c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 750948265 KRMBVDQCMPPCPD-UHFFFAOYSA-N 447.458 5.177 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)C[C@@H](O)c2cccs2)cc1 752223571 DEVDNSIZSXOTAC-DNVCBOLYSA-N 437.521 5.054 30 20 IKED CC[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccc(OC)cc1 752478090 XJZKDOUUEGJVOF-IFXJQAMLSA-N 432.492 5.241 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 752614134 CSSXSBVRRJARIW-RDJZCZTQSA-N 433.499 6.121 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCc3cc(Cl)sc3Cl)n2)cc1 756244400 PBCYGJBHEFGRHK-HNNXBMFYSA-N 446.384 6.249 30 20 IKED C#CC[C@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)c1ccccc1 757762310 OBOYHPGDJDOESK-SFHVURJKSA-N 441.409 5.437 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2ccn(Cc3ccccn3)n2)cc1Cl 765241068 GWZYETRJKQSJHM-OAQYLSRUSA-N 442.910 5.279 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 765463095 HKHSUFVHGKBXNG-MSOLQXFVSA-N 445.629 5.693 30 20 IKED COc1ccc(-c2nc(SCc3nc(C4CCCCC4)cs3)nc(O)c2C#N)cc1 766693559 UMEBLZDHQOSXNS-UHFFFAOYSA-N 438.578 5.526 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1=S 767504701 GXBJOVWSCMAOEY-GOSISDBHSA-N 445.514 5.128 30 20 IKED C=C(C)Cn1c(S[C@H](C)C(=O)Nc2ccc3ccccc3c2)nnc1-c1ccncc1 768414790 MBRGTDAYLOZYPZ-QGZVFWFLSA-N 429.549 5.189 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F 769944784 DLWBDIHOQRGULB-DFSFMLJYSA-N 436.817 5.032 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@](O)(c3ccc(F)cc3)C2)cc1Cl 777567263 HMZGBVLMTMGFPW-DHLKQENFSA-N 449.913 5.260 30 20 IKED CC[C@H](C#N)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)c(OC)c1)CC2 781152374 FNRBLOXXCHMRAT-MTMYEVCSSA-N 428.488 5.198 30 20 IKED N#CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 784118800 PVUKQEUDGJFTCJ-QFIPXVFZSA-N 442.544 5.104 30 20 IKED C[C@H](OC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1cccc(C#N)c1 784198708 JJPVJQLQYNZZDN-INIZCTEOSA-N 436.537 5.311 30 20 IKED CCCOc1c(Cl)cc(/C=C(\C(=O)c2cccc(OC)c2)c2ncc[nH]2)cc1OC 787168953 JYNHVADRXKRFTQ-WOJGMQOQSA-N 426.900 5.293 30 20 IKED Cc1cc([C@@H](CC(=O)Nc2ccc(Cl)c(C#N)c2)NC(=O)OC(C)(C)C)cc(Cl)n1 788428026 LVXBMQFNRZFECQ-QGZVFWFLSA-N 449.338 5.163 30 20 IKED C=C(C)CN(Cc1ccccc1)Cn1nc(Nc2cccc(NC(C)=O)c2)sc1=S 794650367 KFSMZSZTXWLBGG-UHFFFAOYSA-N 439.610 5.412 30 20 IKED CCCCCCN(C(=O)c1cc(C#N)oc1C)c1nnc(-c2ccc(Cl)cc2)s1 798213291 VGCAVCOUIJLGQU-UHFFFAOYSA-N 428.945 5.859 30 20 IKED Cn1cc(-c2ccc(/C=C\C(=O)c3ccc(OCC(=O)Nc4ccccc4)cc3)s2)cn1 800793415 QPGSHWLBKXEWCB-QBFSEMIESA-N 443.528 5.062 30 20 IKED COc1cccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)N=C2SCCO[C@H](C)C#N)c1 801654325 IGGXTZXMNWKOMR-UEIZDATPSA-N 449.576 5.224 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(CSc2nc(C)cs2)cc1 804460362 JLHGTHKWIQOFJT-UHFFFAOYSA-N 428.579 5.048 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2ccc(F)cc2OC2CCOCC2)cc1 806201107 UJFSAZHWLMSLEJ-HSZRJFAPSA-N 445.494 5.683 30 20 IKED CC(C)[C@@H](Oc1ccc(Br)cc1)c1noc(-c2ccccc2OCC#N)n1 809498632 PPOPVWZSRKGDLX-GOSISDBHSA-N 428.286 5.178 30 20 IKED C[C@H](N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21)c1ccc(C#N)cc1F 810258213 RZHWUXCRTGYYNM-BTYIYWSLSA-N 439.531 5.997 30 20 IKED Fc1ccc(C(C[C@H]2CCCO2)=NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1 811644010 QOXXPQRQSYTLJF-QGZVFWFLSA-N 445.420 5.082 30 20 IKED COc1cc(C=NOCc2ccccc2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 839420133 WXWBBBNCLGKXDA-UHFFFAOYSA-N 442.874 5.056 30 20 IKED N#Cc1ccsc1NC(=O)COC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl 914964211 VAYRWNYTDDQEJN-UHFFFAOYSA-N 444.843 5.302 30 20 IKED COC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 915101439 BBCOGRFNXSEBDO-OAHLLOKOSA-N 446.315 5.785 30 20 IKED CC(=O)N[C@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1 915181345 ZBPMXESGTQIQBB-BJKOFHAPSA-N 431.923 5.201 30 20 IKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCCC(C)C 916883881 WEMVBHZSOGFVIF-KRWDZBQOSA-N 449.334 5.388 30 20 IKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(C2SCCS2)cc1 916943035 SEUCXQNKRKVLFB-MRXNPFEDSA-N 437.373 5.433 30 20 IKED N#C[C@H]1C(CN2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)=CC(=O)n2c1nc1ccccc12 917153426 YJGVYIWYFPXMOZ-OXJNMPFZSA-N 437.330 5.368 30 20 IKED Cn1ccnc1COc1ccc(C(=O)/C=C/c2csc(-c3ccc(Cl)cc3)n2)cc1 917518262 XWQDAOJMXRCKFS-DHZHZOJOSA-N 435.936 5.672 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc3c4c(cccc24)CC3)cs1 917558977 BMZXJBPBBYOXBQ-UVTDQMKNSA-N 442.515 6.115 30 20 IKED CCCCc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1 917559731 MWVSVKVFFRIIBQ-QINSGFPZSA-N 438.980 6.720 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cs1 917561652 IZWAMRFOSBMTOJ-SAPNQHFASA-N 438.552 6.699 30 20 IKED C[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 918417812 WAVNIVYGHITMES-VGOFRKELSA-N 431.923 5.154 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(COc3ccccc3)CC2)cc1 919904273 CYOZAHVCGKESAZ-AREMUKBSSA-N 425.532 5.665 30 20 IKED N#C[C@@H](C(=O)CSCc1ccc(Cl)cc1Cl)c1nc2ccccc2n1C(F)F 920113329 VIBJAZDRBGPAFO-ZDUSSCGKSA-N 440.302 5.848 30 20 IKED CCCN(Cc1nc(O)c2sccc2n1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 1337396892 RKTWMUDSRWRPED-UHFFFAOYSA-N 442.544 5.241 30 20 IKED N#CCC(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2)CCC1 1788687371 TVIWDMKYXZUAHN-UHFFFAOYSA-N 433.895 5.261 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cccc4ccn(C)c34)cc2)CCC1 1789061953 UHQQKTSWSDOWGB-UHFFFAOYSA-N 427.548 5.120 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCCc3cccnc3)CCC2)cc1 1789454842 GZHYWXBCPQVRPT-DEOSSOPVSA-N 431.580 5.307 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C(C)C)cc3)CCC2)cc1 1790569731 IKJYSAPKABHMBJ-HXUWFJFHSA-N 449.595 5.288 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc4cccnc4s3)CCC2)cc1 1791298610 IAJSHQFANZNGCF-UHFFFAOYSA-N 441.503 5.255 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1[nH]c2c(Cl)cccc2c1C 1796701144 QQFYTSJKKLOSCS-BCDXTJNWSA-N 442.003 5.374 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c3cccc(Cl)c13)C2 1798592633 SIXYLNUQEWOROI-BJWYYQGGSA-N 427.976 5.066 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C)cc2C)[C@@H]1c1cccnc1 1810505337 RJYXSNMZFDFYKY-ISKFKSNPSA-N 433.596 5.010 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2F)[nH]n1 1814823728 FRNKIUFVXWZHKA-FQEVSTJZSA-N 444.938 5.277 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)n[nH]1 1822327658 PXVJCAKVEFZAGO-KCZVDYSFSA-N 434.584 5.198 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccs2)CC1 1825312682 PBQAWPQTTWTQCC-JOCHJYFZSA-N 430.658 5.293 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3cnccc23)CC1 1828653242 PVCOSSGRJJNMKW-JYFHCDHNSA-N 445.607 5.237 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3ncccc3c2)CC1 1828828842 SHTBKQMZEDWFGA-AOYPEHQESA-N 445.607 5.237 30 20 IKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)cc1 1829689763 ORJRQSJAVPEGGO-QHCPKHFHSA-N 449.982 5.067 30 20 IKED CC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 1831696035 JLTLHEHRYUUOLB-NIJXNBFTSA-N 435.612 5.008 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cnc(C)s2)CC1 1832349557 HVZSXFXOOPCVBY-CZQLGGELSA-N 443.657 5.077 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 11158619 AMVTXAMUUHTXED-UHFFFAOYSA-O 430.380 5.894 30 20 IKED C=CCn1c(SCc2cc(-c3ccco3)on2)nc2sc3c(c2c1=O)CCCC3 18352246 BNAOTZLUIIVDGP-UHFFFAOYSA-N 425.535 5.063 30 20 IKED C=CCn1c(SCC(=O)c2ccc(C)s2)nnc1-c1ccc(Br)cc1 25490501 YXIUJYPZBSPUBP-UHFFFAOYSA-N 434.384 5.239 30 20 IKED Cc1cc(CNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)ccc1F 25759484 DSUHHTODFPKFGP-UHFFFAOYSA-N 445.338 5.287 30 20 IKED Cc1ccccc1-c1nnc(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)o1 26013064 ZHKIEHNDPXSVOY-QGZVFWFLSA-N 432.530 5.137 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)CC)nc2sc(-c3ccccc3)c(C)c2c1=O 26640004 DVCKVTDHFUXOQH-GDBMZVCRSA-N 441.622 5.015 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3ccccc3SCc3ccco3)c2)c1 32289811 JXJOIYHPWCEORZ-UHFFFAOYSA-N 440.524 6.275 30 20 IKED CCCc1ccc(-c2nc(NC(=O)CCc3c(C)nn(CCC#N)c3C)sc2C)cc1 46544844 GKEVGQNNAOILFO-UHFFFAOYSA-N 435.597 5.369 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSc1ccc(C(F)(F)F)cn1 59251710 GAYYHTCXMLSPMU-UHFFFAOYSA-N 444.438 5.199 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1CC=C 60973231 FRKWYFFAYDOXLV-UHFFFAOYSA-N 426.567 5.041 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H](c2ccccc2)c2ccco2)cc1OCC 61556155 NFYXEHXJLLVWJI-QFIPXVFZSA-N 442.353 5.885 30 20 IKED N#CCCSc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 78668366 CMBPBUJJTZMIOP-HXUWFJFHSA-N 443.572 5.336 30 20 IKED N#Cc1ccc(-n2c(SCc3cc(Cl)nc(Cl)c3)nc3ccccc3c2=O)cc1 108703190 NWZXWEZRIRDKMY-UHFFFAOYSA-N 439.327 5.251 30 20 IKED CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 108883035 NGNREPVQSMAUEY-UHFFFAOYSA-N 441.531 5.308 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2cc(C)c(C)cc2C)nnc1[C@H]1COc2ccccc2O1 115027520 WZEGZPUZBYEPMI-XMSQKQJNSA-N 449.576 5.265 30 20 IKED N#CCCCOc1cccc(CN[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1 237904227 ZNFCDHNKKPWZFS-VWLOTQADSA-N 428.511 5.389 30 20 IKED Cc1c(Cl)cccc1-n1c(Sc2ccc(C#N)cc2[N+](=O)[O-])nnc1-c1ccncc1 247814587 CAKPKZQWQPFSCP-UHFFFAOYSA-N 448.895 5.222 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3CCOC4(CCC4)C3)cc2Cl)c1 426078058 QLXLRASTAXOKEU-IBGZPJMESA-N 425.916 5.014 30 20 IKED Cc1cc(F)ccc1C1CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 428731057 XOVBZMIDSWRMOY-SFHVURJKSA-N 425.573 5.347 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3c(-c4ccncc4)nc4ccccn34)c2)c1 430663203 LIVZXAUVONFOFY-UHFFFAOYSA-N 445.482 5.099 30 20 IKED N#C[C@@H](C(=O)c1ccc(N2CCCc3ccccc32)cc1)c1nc(-c2ccncc2)cs1 432488206 JFJXYIRWAIRRPL-QFIPXVFZSA-N 436.540 5.779 30 20 IKED Cc1cccc(COc2ccc(CNCc3cn(CCC#N)nc3-c3ccncc3)cc2)c1 433332954 DWQGMGOZBSOFAR-UHFFFAOYSA-N 437.547 5.036 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 436341559 SVDPBHSOHWLGND-QGPMSJSTSA-N 433.499 6.167 30 20 IKED C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C 437520878 ZFZGPTFFQNYOCD-HTAPYJJXSA-N 438.597 5.069 30 20 IKED COc1cc(CN(C)C(=O)N[C@@H](CCC#N)c2ccccc2)ccc1OCc1ccccc1 438843007 RLGWRPXWNFWEQH-DEOSSOPVSA-N 443.547 5.461 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)N[C@@H](CCC#N)c1ccccc1 439381968 FNQHYJLFNJNGJR-NRFANRHFSA-N 441.510 5.854 30 20 IKED CC(C)(C)c1cc(NC(=O)c2cn(CCCC#N)c3ccccc23)n(-c2ccccn2)n1 444183530 NQMDDHJGGHZUGT-UHFFFAOYSA-N 426.524 5.076 30 20 IKED N#CCCCn1cc(C(=O)Nc2cc(Br)ccc2NC2CC2)c2ccccc21 444295976 XTVRUHVQIAQYKR-UHFFFAOYSA-N 437.341 5.534 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)Nc1cccc(Oc2ccccc2)c1 446419317 NFYRFDGJIXBBSN-QGZVFWFLSA-N 431.517 5.308 30 20 IKED CCOC(=O)[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)Cc2ccccc21 448364708 VDOKTKSNOAZZHD-XMMPIXPASA-N 441.487 5.045 30 20 IKED C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 460784040 QTGRSNQEPFHSTQ-OFJJUDJNSA-N 428.989 5.109 30 20 IKED CCCN(C(=O)[C@H](C)Oc1ccccc1C#N)[C@H](c1cccnc1)c1ccc(F)c(C)c1 461534773 KBNZHLSOMLGTQS-DFBJGRDBSA-N 431.511 5.196 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2ccc(Cl)c(Cl)c2)n(Cc2ccco2)c1C 463203573 FFUNZDXXUUNRRC-UHFFFAOYSA-N 434.348 5.656 30 20 IKED COc1ccc([C@@H](NC(=O)CCc2ccc(C#N)cc2)c2ccccc2Cl)c(OC)c1 464552158 SDEUOFPHFIDCHX-VWLOTQADSA-N 434.923 5.067 30 20 IKED N#Cc1cc(NC(=O)N2C[C@@H]3[C@@H](C2)[C@H]2CC[C@H]3O2)ccc1Oc1ccc(C(F)(F)F)cc1 467725768 YPRVSVFSYMINEY-VURPSTOHSA-N 443.425 5.010 30 20 IKED Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4nn(C(C)C)cc4C#N)c23)cc1 468981948 MZFRCHCAXQVYKM-UHFFFAOYSA-N 448.577 5.047 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)[C@]3(Cc4ccccc4)C[C@H]4CC[C@H]3C4)ccc21 470769677 QTNGIEKRHHEKLZ-QSJFZTKYSA-N 441.575 5.257 30 20 IKED N#Cc1cccc(-c2nnc(CNc3cc(C(=O)Nc4ccccc4)ccc3Cl)o2)c1 471676653 DEIIGXKVJUHWJH-UHFFFAOYSA-N 429.867 5.126 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3ccc4c(c3)nc(C)n4Cc3ccsc3)[nH]c12 472726034 CDYXDBAKVWZNDJ-GOSISDBHSA-N 425.517 5.129 30 20 IKED COCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(Cl)c1 473526720 SCIINJKMSQNHAL-CQSZACIVSA-N 448.878 5.257 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc4[nH]ccc4s3)s2)c(C(F)(F)F)c1 474947403 AOBYPQKIEKAINR-UHFFFAOYSA-N 432.452 5.419 30 20 IKED CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@H](c1cccnc1)c1csc2ccccc12 475904703 ZQXOGXHXTDMAMB-RUZDIDTESA-N 439.584 6.349 30 20 IKED C[C@@H]1CN(C(=O)C[C@@H](CC#N)c2ccccc2)c2ccccc2N(Cc2ccccc2)C1=O 476262895 RECNUQHLJPJBBB-ZJSXRUAMSA-N 437.543 5.290 30 20 IKED CC(C)(C#N)c1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1 476679135 XHWOPMVLZJKKJB-UHFFFAOYSA-N 435.886 5.785 30 20 IKED COc1cc(CSCc2csc([C@H](C)OC)n2)ccc1OCc1cccc(C#N)c1 477002392 OIUJORGHQOETAO-INIZCTEOSA-N 440.590 5.743 30 20 IKED N#C[C@@H](C(=O)c1ccc(F)c(I)c1)c1nc(-c2ccccc2)cs1 477873341 GOQSNIUESHJUML-ZDUSSCGKSA-N 448.260 5.044 30 20 IKED CN(C(=O)c1cc(Br)sc1Br)c1cc(Cl)ccc1C#N 479575577 DGXVMDZSGIAERT-UHFFFAOYSA-N 434.540 5.075 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)C(=O)Nc1cc(C)ccc1C 481348276 MDZWCXNGSWXSMG-LJQANCHMSA-N 436.581 5.088 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 482083715 MZJFXFJNXNETSU-OAQYLSRUSA-N 438.572 5.575 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cccc(SC)c3)o2)cc1 489801860 AYAVAAGLSPPMLP-AWEZNQCLSA-N 427.551 5.143 30 20 IKED Cc1ccnc2sc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c(C)c12 490758591 MVPYDOJANUNCQI-LBPRGKRZSA-N 425.485 5.805 30 20 IKED C=CCOc1ccc(C(=O)N(CC)[C@@H](c2cccnc2)c2ccc(F)c(F)c2)cc1OC 496545932 AMUHGGHQQGEIBZ-XMMPIXPASA-N 438.474 5.185 30 20 IKED CC(C)(C)c1ccc([C@H]2CCCN2C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc1 498616294 IPQXJFAHCAHGQV-HSZRJFAPSA-N 438.593 5.039 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)NCC1(c2ccc(Cl)cc2Cl)CCCC1 502674429 HLAWGFLZMFKIBY-UHFFFAOYSA-N 447.410 5.281 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cnc(-c4ncccn4)s3)cc2Cl)cc1 503159558 YCOBLESYZBZNGF-UHFFFAOYSA-N 433.880 5.170 30 20 IKED Cc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 509500766 MVTUJZMMHOFMQL-UHFFFAOYSA-N 426.451 5.023 30 20 IKED Cc1ccc([C@@H](NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C2CC2)cc1 510244161 SNLBRTFDXBSBAN-LJQANCHMSA-N 435.578 5.283 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c(OC)c1 510675507 QUMXDFLQHGMXDK-HSZRJFAPSA-N 443.503 5.737 30 20 IKED CN(C)Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)oc2ccccc12 510848193 XYVLZLULUJEJIF-UHFFFAOYSA-N 425.488 5.197 30 20 IKED CCOc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cs2)cc1 512952537 IXZOEQPYOSJERX-QGZVFWFLSA-N 432.530 5.217 30 20 IKED N#C[C@@H](C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cn1 513143127 LPAOAGSQYYXIOT-MRXNPFEDSA-N 426.354 5.242 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 515170690 STQOIPMDJAJAEV-UHFFFAOYSA-N 442.397 5.086 30 20 IKED CCO[C@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1ccccc1 517906642 CSHXDHPMZVWSKR-IBGZPJMESA-N 445.466 5.341 30 20 IKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 519028311 HLTGBJLWFRFERP-INIZCTEOSA-N 431.517 5.428 30 20 IKED CCOc1cc2c(cc1NC(=O)c1ccc(OCc3ccccc3C#N)cc1)O[C@H](C)C2 519142149 ULFKIBPEJUVSNJ-QGZVFWFLSA-N 428.488 5.112 30 20 IKED C=CCN(C(=O)[C@@H](C)Oc1ccc(CCC(C)=O)cc1)c1nc(-c2ccccc2)cs1 519459006 FGUPUCVBNSWYQG-LJQANCHMSA-N 434.561 5.318 30 20 IKED C[C@H](NC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1)c1ccc(C#N)cc1 519944665 UMDJBERNLZEDEU-AOMKIAJQSA-N 434.337 5.471 30 20 IKED Cc1ccc([C@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)N(C)C)cc1 521466917 WYJCICLSGNUKAB-SANMLTNESA-N 442.563 5.065 30 20 IKED N#C[C@H](NC(=O)c1csc(Br)c1)c1ccc(OCc2ccccc2)cc1 524336320 NTAPJIUBJQWBDJ-SFHVURJKSA-N 427.323 5.084 30 20 IKED C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c2)C1 524656815 UOARMEGHMFUDOX-NBGIEHNGSA-N 447.579 5.729 30 20 IKED Cc1cc2cc(NC(=O)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)ccc2[nH]1 525854279 VTHMUFPDICCEOY-OAQYLSRUSA-N 442.906 5.362 30 20 IKED CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 532385159 WXRYIYWYXYDSKW-IBGZPJMESA-N 435.524 5.326 30 20 IKED CC[C@@H](C)n1ncc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C1CC1 536486224 RTUYENHVFOEZNM-IERDGZPVSA-N 447.970 6.684 30 20 IKED C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)CCCC(=O)Nc1ccccc1C#N 537931367 OCKMRZQDEREISS-CQSZACIVSA-N 430.335 5.120 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)c1ncccc1C(F)(F)F 538839038 HUPLJLORFGCKQA-UHFFFAOYSA-N 430.320 5.729 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 540308105 MOYVSJNFYLJCPO-FCHUYYIVSA-N 429.923 5.049 30 20 IKED N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(Oc4cccc(C(F)(F)F)n4)cc3)n2)c1 541210267 GMLCLSRUGBJJPA-UHFFFAOYSA-N 449.392 5.202 30 20 IKED Cc1nn(-c2ccc(Br)cc2)c(NC(=O)c2ccc(Cl)c(C#N)c2)c1C 541621742 GEGHTIXSVFDVOC-UHFFFAOYSA-N 429.705 5.029 30 20 IKED CC(C)[C@H](NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nc(C2CC2)no1 542035648 LYCKKBNMXSZDTK-ZHRRBRCNSA-N 429.524 5.243 30 20 IKED Cc1nc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)sc1C 543052326 KHRKLKIETYZFSS-ZDUSSCGKSA-N 436.343 6.191 30 20 IKED CC(C)Oc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Br)s2)cc1C#N 543318650 VTPMYXHZUMVCFZ-OAHLLOKOSA-N 434.359 5.538 30 20 IKED N#Cc1cccc(/C=C\c2nc(-c3ccccc3-c3ccc(CN4CCCC4=O)cc3)no2)c1 546321499 WQKJMPZVAXXUTC-QINSGFPZSA-N 446.510 5.568 30 20 IKED CC(C)c1ccc(CN2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)cc1 553320124 QUYSWCURBDXOBZ-HXUWFJFHSA-N 436.625 5.554 30 20 IKED CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 555346563 GYBSJKFNQBTJID-IBGZPJMESA-N 444.514 5.137 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1 558138590 NANILZRQKJAKOX-MRXNPFEDSA-N 433.895 5.555 30 20 IKED C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 559003880 OVPVNNPQIGWUCI-UHFFFAOYSA-N 448.411 5.063 30 20 IKED Cc1ccc(/C=C\c2nc(SCC(=O)Nc3ccccc3S[C@@H](C)CC#N)n[nH]2)o1 561138860 XIDXFCUJJRNQJX-KVPUOBJLSA-N 439.566 5.002 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@@H](c3cccc(F)c3F)C(F)(F)F)cc2)ccn1 575098477 LEHKJLGHTWSGAS-IBGZPJMESA-N 448.351 5.449 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(CSCc3ccccc3)no2)CC1 582519733 RFTKOGWGFJYPNW-UHFFFAOYSA-N 447.520 5.007 30 20 IKED C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1 584844213 YMNKBAFYYXKBRQ-UHFFFAOYSA-N 448.958 5.403 30 20 IKED COCCSc1ccc([C@@H](C)NC(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 601184796 OGJKJUONIYNKBT-LJQANCHMSA-N 431.561 5.103 30 20 IKED Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603673221 NLAMKCQXMXXKPP-NRFANRHFSA-N 427.891 6.211 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(F)cc3Br)cc2F)c1 609103808 BPWGGECXDFRPQF-UHFFFAOYSA-N 443.247 5.430 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(NCCc3ccccc3)cc2)o1 609158373 APCYGLOIUYZBLH-UHFFFAOYSA-N 437.499 5.637 30 20 IKED CCOC(=O)c1sc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c(C#N)c1C 609296079 FKUALJWYBQNSPQ-UHFFFAOYSA-N 449.463 5.160 30 20 IKED CC1CCN(c2ccc(CNC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)cn2)CC1 609306600 XCZNDLNCACPGJD-UHFFFAOYSA-N 444.510 5.051 30 20 IKED C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(OCc2ccccn2)c1 609438611 MPYJYGXXPBNWLT-MOPGFXCFSA-N 446.576 5.938 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCc2ncc(-c3ccccc3)[nH]2)c1 609742724 WEKQOYOMURYVLL-UHFFFAOYSA-N 428.879 5.324 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCC3(CCCC3)CC2)c1 609998406 PUPCCRZDKDVHFG-UHFFFAOYSA-N 433.577 5.085 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)c1ccc(C#N)c(C)n1 610156229 MSUBKZIYYLFGPX-UHFFFAOYSA-N 427.483 5.559 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1 610175079 XOQZCGMTXXUGIV-INIZCTEOSA-N 434.565 5.972 30 20 IKED N#Cc1ccc(NC(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)c(Cl)c1 610877173 OOPLUYIAUZJIOZ-UHFFFAOYSA-N 429.705 5.046 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1ccc2c(cnn2C(F)F)c1 610962845 UMWGDZWBDIFMIA-UHFFFAOYSA-N 447.445 5.835 30 20 IKED C=CCOc1ccccc1CNc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1 676320042 DIPLOFPFBLZITH-GOSISDBHSA-N 438.959 5.530 30 20 IKED CC(C)Oc1c(F)cc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F 680240136 FFDBNWPGZDGDBR-AOOOYVTPSA-N 434.327 5.347 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C(=O)c1ccccc1)c1ccccc1 684254698 HTFMNGFQVLZRHA-VWLOTQADSA-N 446.620 5.209 30 20 IKED Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)c12 726319588 LGBMDBFFOCTGKZ-OAQYLSRUSA-N 446.466 5.313 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)[nH]c2C)[n+]2ccc(C(CC)CC)cc2)c1 726572682 IVVVKFOPJJQNOK-UHFFFAOYSA-O 444.624 6.127 30 20 IKED N#Cc1ccc(NC(=S)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cc1Cl 730154909 IRUOJMGUYSZPLP-QGZVFWFLSA-N 444.746 5.428 30 20 IKED CC(C)COc1ccc(C(C)(C)C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1 730922228 ONWMRTMGCZMLTM-SFHVURJKSA-N 425.479 5.620 30 20 IKED Cc1cc(C)c(NC(=O)CCCOC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c(C)c1 732398500 ILDMBYAPGJVOLY-UHFFFAOYSA-N 443.503 5.247 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3nc(-c4ccc(F)cc4)ns3)cc2)cc1 732943854 GWMPHIGHXYDXEV-UHFFFAOYSA-N 430.464 5.455 30 20 IKED CON=Cc1ccc(C(=O)N(C)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1 734144497 SSDJKYLMBAQDAW-UHFFFAOYSA-N 429.398 5.150 30 20 IKED COc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1OCCC(C)C 735232273 KXOFDLLBNOTXCN-ONNFQVAWSA-N 438.492 5.013 30 20 IKED CN1CCC[C@H](CNC(=O)c2ccccc2SCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 735477089 KWPBFUKTCAXCMV-UTKZUKDTSA-N 447.526 5.134 30 20 IKED C[C@@H](c1cccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1)N1CCOCC1 740450077 OTIOKYYNAURNRE-SFHVURJKSA-N 446.576 5.002 30 20 IKED COc1ccc(SCCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OC 741110854 AKFVPQDNQSXSRC-AWEZNQCLSA-N 432.954 5.326 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1nc(-c2ccncc2)cs1 741437871 KNEMNGFQMZWHAX-OWCLPIDISA-N 429.423 5.084 30 20 IKED Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)COc1cccc(C#N)c1 741970904 OSUOYYUUERLAST-UHFFFAOYSA-N 442.494 5.621 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC2CCN(CC3CCCCC3)CC2)cc1 744026399 YFQDFEIQPAIREK-UHFFFAOYSA-N 447.648 5.625 30 20 IKED COCCN(CCCc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 744765273 ACJSLJJVGIBXPT-SANMLTNESA-N 427.548 5.455 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccccc3OC)n2)cc1 747020560 BXKJOMRUUXQHHK-DNVCBOLYSA-N 433.533 5.293 30 20 IKED C/C(=C/C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(C(F)(F)F)cc1 748385313 ILAGCBQKPXVFST-KXXVWKPMSA-N 448.466 5.101 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2cn(-c3cccc(Cl)c3Cl)nn2)S1 754684226 FQOUXKXSGXJKLX-CXUHLZMHSA-N 444.347 5.083 30 20 IKED C#CC[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F)c1ccccc1 756920689 FPDFUGMICDFHQO-LJQANCHMSA-N 441.409 5.437 30 20 IKED C[C@H](ON=Cc1ccccc1OC(F)F)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 760419781 GWEAPDHJHNIZTB-JTQLQIEISA-N 428.222 5.757 30 20 IKED Cc1ccc(CC(=O)Nc2cccc([C@H](C)OC(=O)Cc3ccccc3CC#N)c2)cc1 761104421 NDRUAGXRJFZCLZ-FQEVSTJZSA-N 426.516 5.089 30 20 IKED Cc1ccc(C)c(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 762445201 IYSOAUGJHVFUPY-UHFFFAOYSA-O 442.608 6.083 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)C[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 763350219 ZOGWQASUEAFXFL-PMACEKPBSA-N 443.588 5.005 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1C 775692227 HGVVWZUTSPHCQP-UHFFFAOYSA-N 435.977 6.277 30 20 IKED Cc1nc(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)[nH]c1-c1ccccc1 777586851 POCWGXSOSIPAJB-SFHVURJKSA-N 430.558 5.477 30 20 IKED N#Cc1ccccc1N1CCC(NC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)CC1 780807022 FIQVGDURQMZKBP-UHFFFAOYSA-N 447.888 5.047 30 20 IKED C=C[C@@](C)(CCOC)C(=O)OCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 782440866 QRTDJMOSMWWSBS-QFIPXVFZSA-N 431.941 5.241 30 20 IKED C[C@@H](NC(=O)[C@@H](C#N)C(=O)Cc1ccccc1C(F)(F)F)c1ccc(Cl)cc1Cl 787048421 GSHCLICVHPGTBG-ABAIWWIYSA-N 443.252 5.141 30 20 IKED C=CCC(C)(C)C(=O)OCc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1 796455308 PAQYVGRASBLGIQ-UHFFFAOYSA-N 426.460 5.492 30 20 IKED N#CC[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1 796642739 HHQSOGLSCSXRBW-CRAIPNDOSA-N 440.355 6.381 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)cc1 801664166 LLNALIHUVAFAPT-QFIPXVFZSA-N 442.412 6.000 30 20 IKED CN(c1ccc(OC(=O)CCCCCC#N)cc1)S(=O)(=O)c1ccc2ccccc2c1 805857079 MLKQZHYSKVEHBX-UHFFFAOYSA-N 436.533 5.044 30 20 IKED COc1ccc(-c2nnc(SCC3(C#N)CCCC3)n2C2CCCCC2)cc1OC 806584464 IVOMNBDWXYLGSI-UHFFFAOYSA-N 426.586 5.644 30 20 IKED CC(C)(C(=O)OCCCC1(C#N)CCOCC1)c1csc(-c2cc(F)ccc2F)n1 811365062 VNNWDNRCFXIAES-UHFFFAOYSA-N 434.508 5.010 30 20 IKED CC1(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCN(c2ccc(Cl)cc2C#N)CC1 813244293 WBQRPMPPQPZWSE-UHFFFAOYSA-N 433.295 5.018 30 20 IKED C=C(C)CN1C(=O)/C(=C/c2cccc(NC(=O)c3ccc(Cl)cc3)c2)SC1=S 814290901 RHNZRBYREQBNHW-WQRHYEAKSA-N 428.966 5.370 30 20 IKED COc1cc2cc(C(=O)OCc3ccc(-c4ccccc4C#N)cc3)[nH]c2c(OC)c1OC 915012804 YTGUVGKBMMYJEE-UHFFFAOYSA-N 442.471 5.089 30 20 IKED CSc1ccc(N2C[C@@H](C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2=O)cc1 915085146 HDYJCIFRYTUSRE-RDPSFJRHSA-N 441.556 5.056 30 20 IKED COc1ccc2c(C)c(CCC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)c(=O)oc2c1 915101510 DCWYXGWMEADRLR-FQEVSTJZSA-N 444.512 5.043 30 20 IKED CC(=O)N[C@@H](CC(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1ccccc1 915102925 LCWIWKATKAMGBA-SCQXEXEFSA-N 447.604 5.055 30 20 IKED C[C@H](NC(=O)c1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103114 OXYOETHTDOVDHZ-BLLLJJGKSA-N 444.343 5.112 30 20 IKED CC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1OC(F)F 915352810 KDJHLUXPNRXXRK-YADHBBJMSA-N 435.474 6.216 30 20 IKED CC(C)OC(=O)C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 915352944 PIGTTWDFZREWKF-JWQCQUIFSA-N 441.531 5.547 30 20 IKED CCOC(=O)c1sc(-c2ccc(OC)cc2)cc1NC(=S)Nc1ccccc1C#N 915996878 GYHJTBVNEVWISW-UHFFFAOYSA-N 437.546 5.281 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cc(C)n(Cc2ccccc2)c1C 916901296 DPTXZDNUWHKXJC-HXUWFJFHSA-N 449.938 5.085 30 20 IKED Cc1ccc(N2C[C@@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)cc1 916977315 PUCDABRQAMLPDX-QFBILLFUSA-N 435.936 5.001 30 20 IKED COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916996100 KAWNUQRLQVLOCE-MDGVGCGJSA-N 429.328 6.015 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc3c4c(cccc24)CC3)cs1 917560272 UTLYDMJVCUUHLU-RVDMUPIBSA-N 438.552 6.284 30 20 IKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccccc2C)[n+]2cccc(C)c2)C=C1 917607310 RAXAFYGPVIJBPD-UHFFFAOYSA-O 433.553 5.175 30 20 IKED C/C=C\c1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)c(OC)c1 920138677 HOEYOJKQYJYXBX-HMECNJMJSA-N 434.517 5.116 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)/C=C\c2cc(C)n(C3CCCCC3)c2C)n1 920328020 SPIUXGBYDWWSTC-GDWUOILNSA-N 425.554 5.133 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(F)cc3F)CCC2)cc1 1786678673 HRYARDSTMJYJKA-VZUCSPMQSA-N 442.531 5.031 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccco4)cc3)CCC2)c1Cl 1786904373 CQUGRBHDNJRBNI-UHFFFAOYSA-N 447.922 5.185 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4cnccc4c3)CCC2)cc1 1789454327 VUHFDVDLCRJMKL-VWLOTQADSA-N 439.559 5.751 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccnc1 1810175265 UMZDHVAPYQGDPG-NXCFDTQHSA-N 445.607 5.293 30 20 IKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCC3CCCC3)CC2)c1 1824052319 GQGHNHHTUPOMNO-AREMUKBSSA-N 449.639 5.081 30 20 IKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)CC1 1828168679 RVZSWSOJSLYRSI-GOSISDBHSA-N 444.000 5.092 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)c(OC)c2)CC1 1828827016 GQWPJAKCQJRTKP-ZEQRLZLVSA-N 438.612 5.005 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 1828828017 BLBTXIVJYGYSDL-ILBGXUMGSA-N 433.596 5.170 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)CCc2cc(Cl)ccc2Cl)C1 1845889343 XVJMJYNDXIYJJJ-UHFFFAOYSA-N 437.411 5.122 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2ccc(Cl)cc2)cc1 10831894 NKAXYCZFMVXHIF-UHFFFAOYSA-O 436.409 5.956 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 20051385 SFWAUJDWGJGFOK-UHFFFAOYSA-N 430.986 5.144 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2SC)nnc1-c1ccc(Cl)cc1 22092925 WDUAJPYHNWVNQI-CQSZACIVSA-N 445.013 5.626 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)nnc1-c1cccc(C)c1 22093555 VSNAYGJMMFLSQO-HNNXBMFYSA-N 444.507 5.160 30 20 IKED CSCc1c(C(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)oc2ccccc12 22166579 IVYIPXLVZGLYSJ-KRWDZBQOSA-N 436.533 5.096 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2c(C)cccc2C)cc1 22693890 BHFFWQDCWVIGLP-UHFFFAOYSA-O 439.551 5.873 30 20 IKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccc(-c3ccccc3)cc2)nc1C 22890385 CJYYMBIHNPEUCI-UHFFFAOYSA-N 433.562 5.104 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 62522521 MGAJBIQULSWZAI-OAHLLOKOSA-N 434.883 5.262 30 20 IKED C=CCn1c(SCc2ccc(OCc3nccn3C)cc2)nnc1-c1cccc(C)c1 97506539 MUZMITRAGUWHRO-UHFFFAOYSA-N 431.565 5.044 30 20 IKED C=CCn1c(SCc2ccc(OCc3ccccn3)cc2)nnc1-c1ccccc1F 195722360 MGSMNMKFLKMTRH-UHFFFAOYSA-N 432.524 5.537 30 20 IKED N#CCCSc1ccccc1NC(=O)c1ccc(I)c(Cl)c1 426284186 UVXLYUAAVNRCDE-UHFFFAOYSA-N 442.709 5.203 30 20 IKED CCn1nccc1C1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 433015346 WRIFKRGQENFKFM-UHFFFAOYSA-N 433.487 5.118 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC1(Cc2ccc(F)cc2)CCOCC1 433154027 YHOPELNRIUTIDL-QGZVFWFLSA-N 427.545 5.133 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)cc1 437488389 DBKOSHJHUYFBFZ-XYWHTSSQSA-N 434.511 5.805 30 20 IKED CN(Cc1ccccc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)C1CCCCC1 437577623 FCBLWFPOEQMHNA-RSXGOPAZSA-N 430.596 5.755 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc(C2CCCCC2)no1 438221022 VUHKNESDKZEUSJ-INIZCTEOSA-N 431.496 5.664 30 20 IKED CC1(C#N)CCN(C(=O)Nc2ccc(Oc3cccc(F)c3)c(Br)c2)CC1 442072976 GDBLWIPBWZSOMF-UHFFFAOYSA-N 432.293 5.538 30 20 IKED C=CCC[C@H](NC(=O)Nc1cc(C(=O)N(C)C)ccc1C)c1ccc(C(F)(F)F)cc1 442197126 VHGDDFBATJFOFP-IBGZPJMESA-N 433.474 5.545 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C(=O)NCC(C)(C)C)cc3)n2)cc1 442857126 FFMIPPCOZHCQNR-FQEVSTJZSA-N 447.560 5.085 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCCc3c[nH]c4ncccc34)cc2Cl)c1 443864713 UTASEODKTKUUPH-UHFFFAOYSA-N 445.910 5.031 30 20 IKED Cc1ccccc1[C@@H]1CN(C(=O)c2cccc(COc3ccccc3C#N)c2)[C@@H](C)CO1 460389926 RJJMIHXFJWGPEN-FNZWTVRRSA-N 426.516 5.048 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCOc2c(F)ccc(F)c21 463750281 LIDXQFAINGBDHG-JOCHJYFZSA-N 449.457 5.369 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)cc1 466217577 NNASSJOFHQGZAZ-SFHVURJKSA-N 446.334 5.063 30 20 IKED C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)Nc2ncccc2OCCCC#N)C1 466620123 ZFHBYAMUNWKFFL-MAUKXSAKSA-N 432.446 5.398 30 20 IKED Cc1cc(N(CCC#N)C(=O)CNc2ccccc2SC[C@H](C)C#N)ccc1Cl 470520810 BRDNEGWZIYKTDL-MRXNPFEDSA-N 426.973 5.259 30 20 IKED CC(C)CCOc1ccc(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 470561732 BEBCOPFTVLFYQQ-UHFFFAOYSA-N 434.540 5.338 30 20 IKED N#Cc1ccc(-c2nnc(CNC(c3ccc(Cl)cc3)c3ccc(Cl)cc3)o2)cc1 471629838 RJWMJNWVOJRXNP-UHFFFAOYSA-N 435.314 5.794 30 20 IKED Cc1cc(-c2noc([C@H](C)NC(=O)Nc3ccccc3SC[C@@H](C)C#N)n2)ccc1F 473816135 GVMSQEYKGQJTQR-ZFWWWQNUSA-N 439.516 5.319 30 20 IKED Cc1cc(-c2noc([C@H](C)NC(=O)Nc3ccccc3S[C@H](C)CC#N)n2)ccc1F 473824755 VZKZRCFLEWLELX-CABCVRRESA-N 439.516 5.461 30 20 IKED C[C@H](N[C@@H](c1cccc(F)c1)c1nccn1C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 480355744 KOFCVYPNSZGTHI-SGTLLEGYSA-N 445.382 6.037 30 20 IKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)N(Cc1ccco1)c1ccccc1C#N 482137087 VOLKFUHDBBAVHC-UHFFFAOYSA-N 448.320 5.479 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2ccn(CC(F)(F)F)n2)cc1Cl 486235880 ULQITSHZBKXTQP-MRXNPFEDSA-N 433.821 5.398 30 20 IKED N#Cc1cnc2c(F)cc(F)cc2c1NCc1cn(-c2ccccc2)nc1-c1ccncc1 488240468 GPEUEBQBAUDUEE-UHFFFAOYSA-N 438.441 5.244 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@@H]2CCCc3ccccc32)nnc1-c1ccccc1C 488914284 QOXPDDXBMZUZLI-JOCHJYFZSA-N 432.593 5.068 30 20 IKED C=C(C)Cn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccncc1 489438610 XPUNBAPPXOYDAD-SFHVURJKSA-N 435.597 5.467 30 20 IKED N#C[C@H](NC(=O)c1cc(-c2ccccc2)ccc1Cl)c1ccc(Br)cc1 499414821 BWTFPVLBAOYTMF-FQEVSTJZSA-N 425.713 5.764 30 20 IKED CCCOc1ccc(-c2nc(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cs2)cc1 504722343 UQESFOMCFBPRLI-UHFFFAOYSA-N 447.560 5.154 30 20 IKED N#CCCn1cc(CN2CCc3sccc3[C@@H]2c2cccs2)c(-c2ccccc2)n1 506717562 DDLKRSBLKNSUNN-XMMPIXPASA-N 430.602 5.734 30 20 IKED Cc1nnc(Sc2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)c(C)c2)s1 509282333 CHCWJZKDCCPNLD-UHFFFAOYSA-N 442.569 6.097 30 20 IKED CCN(CC)C(=O)c1ccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 511774037 PCKBBAIVNLSROV-UHFFFAOYSA-N 443.522 5.022 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)c1nc(O)c2c3c(sc2n1)C[C@H](C)CC3 512512748 ZKIPCUCYTAMFAT-SJORKVTESA-N 439.629 5.438 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(OC)cc2OC)nnc1-c1ccc(Cl)cc1 514187510 SDYYKUVDCZZNEQ-AWEZNQCLSA-N 443.956 5.165 30 20 IKED CC1(c2nc(-c3cc(O)nc4ccccc34)no2)CCN(c2ccc(Cl)cc2C#N)CC1 515253896 ZSMLOUVVTDXZCW-UHFFFAOYSA-N 445.910 5.074 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 515777074 ZYANUKYIVDWCPG-UHFFFAOYSA-N 436.512 5.054 30 20 IKED Cc1cccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1C(=O)N1CCCC1 518539101 ABFXQMFLYUJHMD-UHFFFAOYSA-N 443.478 5.286 30 20 IKED Cc1nn(-c2ccc(F)cc2F)c(C)c1CNC1CCC(Oc2ccccc2C#N)CC1 518977138 XLDHJIWRGYDIGC-UHFFFAOYSA-N 436.506 5.119 30 20 IKED COc1ccc(/C=C2\C[C@H](C)Cc3c2nc2ccccc2c3C(=O)N(C)C[C@@H](C)C#N)cc1 519448255 CTJHZBCXWICOMW-AQOSXKMFSA-N 439.559 5.598 30 20 IKED CC(C)(CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(Cl)cc1 521808836 PGKUXGWINJGHMF-UHFFFAOYSA-N 447.922 5.036 30 20 IKED CCCCN(C(=O)c1ccc(C#N)cn1)c1nc(-c2ccc(Cl)cc2Cl)cs1 522111138 VFRMTSLKCPGIBL-UHFFFAOYSA-N 431.348 5.830 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1 522572461 YEQKDPGCAKJOSF-UHFFFAOYSA-N 445.950 5.398 30 20 IKED Cc1cc(OCc2ccccc2)ccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 522709535 NYKDGJVCQGTENP-UHFFFAOYSA-N 442.563 5.041 30 20 IKED CC[C@](C)(NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nccs1 523560042 GXRMWZQWPGVSJV-NRFANRHFSA-N 426.929 5.907 30 20 IKED COc1ccc(Br)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 525283928 HEMREMXJMLLFOK-INIZCTEOSA-N 427.323 5.380 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 534904174 ORSFOVXVOTXOFI-RTBURBONSA-N 428.557 5.912 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(C(F)(F)F)cc3)n2)nnc1-c1ccncc1 535920719 YDCXNGFECCJJAQ-UHFFFAOYSA-N 443.454 5.492 30 20 IKED N#C[C@H](C(=O)c1cc(OC(F)F)cc(OC(F)F)c1)c1nc2cc(Cl)ccc2s1 538364753 JPONRPIRSYSXCG-GFCCVEGCSA-N 444.793 5.643 30 20 IKED CN(C(=O)c1cc(O)nc2ccc(F)cc12)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 541250996 DUCDGJACRVTAQZ-QGZVFWFLSA-N 446.322 5.474 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(CN(C)Cc2ccccc2)c1 541283751 OGHIWKZHKCNREB-HXUWFJFHSA-N 429.589 5.823 30 20 IKED C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 542470839 SASNYNNSLJJVKU-AWOBUJGGSA-N 431.580 5.257 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1F 544616520 WZGFJPYUNJDYTH-GBXCKJPGSA-N 449.457 5.671 30 20 IKED N#Cc1ccc(CN2CCC(NCC3(c4ccc(Br)s4)CCC3)CC2)cc1 552089742 ULANNWBAURRRLJ-UHFFFAOYSA-N 444.442 5.058 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 554422119 PQWSONDSBVRSGW-SFHVURJKSA-N 431.458 5.033 30 20 IKED Cc1ccccc1CNc1ccccc1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 561244992 VXPWOUQZEDNXNF-OAQYLSRUSA-N 428.511 5.083 30 20 IKED Cc1ccc([C@H]2OCCC[C@H]2NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 569414210 NEZGXXTYOJLFSI-DNQXCXABSA-N 428.492 5.096 30 20 IKED Cc1ccc2c(c1)CN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)CCO2 570700452 IPJZRKQFBPOLCY-UHFFFAOYSA-N 427.504 5.067 30 20 IKED C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(Oc2cccnc2)cc1 573312874 YBZVTTQSQCDTQM-GOSISDBHSA-N 439.471 5.409 30 20 IKED Cc1nc(-c2cccc(-c3noc([C@@H]4CCN(c5ccc(C#N)cc5F)C4)n3)c2)cs1 577211417 DBBANHFTZUANTF-GOSISDBHSA-N 431.496 5.173 30 20 IKED Cc1ccc(C)c(C(=O)CCC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c1 589985570 IEGAJAOAQDNWDC-VWLOTQADSA-N 426.516 5.226 30 20 IKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(F)cc1C(F)(F)F 590252695 JITNDWATCDBCTA-UHFFFAOYSA-N 449.244 5.900 30 20 IKED C=CCOc1ccccc1CNC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 601134043 SXZCSNLVVBBFFP-UHFFFAOYSA-N 425.872 5.072 30 20 IKED CSc1ccccc1NC(=O)[C@H](C)Sc1nc2c(c(-c3ccco3)c1C#N)CCC2 603818312 AIAHUPDEFHCAME-AWEZNQCLSA-N 435.574 5.543 30 20 IKED Cc1cc(Br)cc(Cl)c1NC(=O)c1ccc(COc2ccccc2C#N)o1 603962586 JFEMLDBAGVOYOU-UHFFFAOYSA-N 445.700 5.707 30 20 IKED Cc1cc(C)c(NC(=O)[C@@H](C)Nc2cccc(OCc3cccc(C#N)c3)c2)c(Cl)c1 604044434 OVGGUCMZABIUOX-GOSISDBHSA-N 433.939 5.847 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(c2ccccc2C)CCOCC1 604395443 JAIWXKMTMMPUMD-UHFFFAOYSA-N 427.504 5.049 30 20 IKED Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)[nH]c2c1 604510347 ILWOADHQTGDSJX-XMMPIXPASA-N 437.503 5.904 30 20 IKED Fc1ccc(-c2csc3ncnc(N4CCC(C(F)(F)F)(C(F)(F)F)C4)c23)cc1 604995911 NVZANRYWSHUPET-UHFFFAOYSA-N 435.368 5.819 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 606841215 RYYCEFUIPSBHGL-AVRDEDQJSA-N 433.470 5.510 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)C2CC2)cc1 608993578 CUEZXYMPWOZERL-UHFFFAOYSA-N 442.441 5.122 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccnc1N1CCCCC1 609060668 ACIFBPCDHADRSF-UHFFFAOYSA-N 426.520 5.083 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCC3(Sc4ccccc4)CC3)c2)c1 609469216 OFLWQINBJBUKKX-UHFFFAOYSA-N 442.544 5.257 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CSCc2ccccc2)c1 609714072 ZDDOKPOQLQVPIK-UHFFFAOYSA-N 445.588 5.672 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCCCC[C@H]3c3ccco3)c2)c1 609927732 KALHMZFSKYJLTI-QFIPXVFZSA-N 428.492 5.553 30 20 IKED C[C@H]1CN(Cc2cccc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)c2)C[C@@H](C)O1 609975493 NBJFPIVFQLOOFS-BGYRXZFFSA-N 441.531 5.212 30 20 IKED Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3cccc(C#N)c3)c3cnn(C(C)C)c3n2)s1 610364818 VEPVCVZINOCVFW-INIZCTEOSA-N 429.549 5.412 30 20 IKED COc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cs2)cc1 613318299 WLWWUKLRGMBVJH-SFHVURJKSA-N 431.542 5.741 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OC1CCCC1 613318746 BAYNIUMLZHJJJS-HXUWFJFHSA-N 432.545 5.939 30 20 IKED C=C(C)Cn1c(SCc2nc(-c3cccc4ncccc34)no2)nnc1-c1ccco1 671156196 XFTXUGBAMSDDPD-UHFFFAOYSA-N 430.493 5.005 30 20 IKED O=C(Nc1cc(F)ccc1OC(F)F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 675374342 VRBJWMCUKUNWFS-HTQZYQBOSA-N 438.290 5.458 30 20 IKED O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 684801106 ZSYDPAFQNLLEBM-NJBDSQKTSA-N 432.767 5.107 30 20 IKED N#CCc1ccc(OCc2cccc(NS(=O)(=O)/C=C\c3ccccc3Cl)c2)cc1 727357026 KALLFOXOCVMERI-SQFISAMPSA-N 438.936 5.398 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CCOc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 728411270 FTVHMKMGQGJHNM-ZBFHGGJFSA-N 429.328 5.859 30 20 IKED COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)ccc21 728465937 MGZHIGCYMKGBFV-AREMUKBSSA-N 437.543 5.812 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 728871520 VSQWUUMUDNIHMQ-WAYWQWQTSA-N 427.348 5.075 30 20 IKED N#C[C@H](C(=O)CCc1nc2cc(Cl)ccc2s1)c1nc2ccccc2n1C(F)F 730690861 YNUWFGXREXEITO-GFCCVEGCSA-N 430.867 5.504 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccccc1C(F)(F)F 731029906 JODNURZVORZXNE-OXJNMPFZSA-N 447.526 5.733 30 20 IKED COc1ccc(-c2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c(F)c2)c(F)c1 731332184 FVGQUHMOOYUDGE-OAHLLOKOSA-N 438.499 6.287 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 732596341 QOAIVAQGUHRUAI-VSKRKVRLSA-N 444.918 5.370 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)CC(c2ccccc2)c2ccccc2)ccc1OC 733232159 OPICCHYYPCXXEM-QHCPKHFHSA-N 428.532 5.215 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(CC)[C@H](C)c2cc3ccccc3o2)ccc1OC 733656392 KJRNCUJPTDWYBI-YLJYHZDGSA-N 435.524 5.415 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H]2c2cccc(Br)c2)c1 733806445 ZKTYHJBHDIURIG-PZJWPPBQSA-N 442.357 5.177 30 20 IKED CC(=O)N(c1nc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)cs1)C1CC1 734303177 GLLDXIGHVYPCQP-CPNJWEJPSA-N 445.569 5.692 30 20 IKED CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C\c2cnc(-c3ccc(C)cc3)s2)cc1 734307399 YGRDTSFIUWUDCT-QINSGFPZSA-N 440.590 5.045 30 20 IKED Cc1nccn1-c1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cn1 735035141 IILPNJFPKOACKX-UHFFFAOYSA-N 429.867 5.145 30 20 IKED N#C[C@H]1C(CN2CCCCC[C@H]2c2ccc(Cl)cc2)=CC(=O)n2c1nc1ccccc12 735311429 JKZXODDEHLZEHW-UNMCSNQZSA-N 430.939 5.494 30 20 IKED CN(CCC#N)c1ccc(CNC[C@H]2CCCN(C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 735508730 MWNRXGPSUDIBNT-QPPBQGQZSA-N 444.545 5.228 30 20 IKED CC(C)(C)c1ccc(N=C2NC(=O)[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)S2)cc1 736640721 GKSQRXBWFFNOBS-QGZVFWFLSA-N 433.936 5.025 30 20 IKED O=C(Nc1cccc(/C=C\C(=O)c2c(Cl)nc3ccccn23)c1)c1ccccc1Cl 737447992 BRFRXJKQSIXWRL-QXMHVHEDSA-N 436.298 5.790 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCC[C@@H]3c3cccc4c3OCCO4)c2)s1 740064357 LIOSDVLUXATTHH-OAQYLSRUSA-N 445.544 5.105 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)C[C@H](Cc2ccccc2)c2ccccc2)cc1Cl 744032630 MPMMTJOYLVWDAP-UNMCSNQZSA-N 446.934 5.413 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@]3(C)CCCN(C(=O)c4ccccc4)C3)n2)cc1 744036267 YUVDIYSQYJHYGN-RLWLMLJZSA-N 443.572 5.237 30 20 IKED CC(C)(C)OC(=O)Cc1ccccc1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 746034225 SCVOXNFLWBRPDQ-UHFFFAOYSA-N 447.560 5.493 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C 747542418 XWIIUCJEZGDDSJ-INIZCTEOSA-N 434.606 5.095 30 20 IKED COc1cccc(C2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)c1 748444998 YNXVDKUUVLZHTE-SANMLTNESA-N 425.532 5.762 30 20 IKED N#CC1(NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)CCOCC1 749351598 LLBPQOHLPXXLET-UHFFFAOYSA-N 433.511 5.371 30 20 IKED Cc1sc2ncn(N=Cc3cc(-c4ccccc4)ccc3O)c(=O)c2c1-c1ccccc1 749444026 MHYWIFDYHNSULN-UHFFFAOYSA-N 437.524 5.688 30 20 IKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1cnc(-c2cccs2)s1 751520173 CZXXZLPHPBSNOU-UHFFFAOYSA-N 433.587 5.378 30 20 IKED CN(C(=O)c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1)c1ccccc1 756927127 OIXIPGXNCPKEEI-HHHXNRCGSA-N 445.522 5.871 30 20 IKED C[C@@H](ON=CC(=O)Nc1ccccc1Cl)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 760429332 MDNULWDDTUAINU-SNVBAGLBSA-N 439.686 5.399 30 20 IKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 762310935 XBNFPVZJQGVJDC-SFHVURJKSA-N 442.302 5.042 30 20 IKED C[C@H](CC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1ccc(Br)cc1 769943835 BMGCFRATFWEKAJ-DOMZBBRYSA-N 432.268 5.564 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)O[C@H](C#N)Cc1ccc(F)cc1F 774337127 ZXVOZXJBKLRXJJ-INIZCTEOSA-N 436.336 5.239 30 20 IKED CCOC(=O)/C(=C\c1ccc(OCC#N)c(OC)c1)c1nc(-c2ccc(C)cc2)cs1 776433255 DOUWIMDDKLNTRI-UYRXBGFRSA-N 434.517 5.133 30 20 IKED Cc1nc2c(s1)[C@@H](NC(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)CCC2 780502128 WUAJSZLCEDXJLG-NQIIRXRSSA-N 436.968 5.960 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccc(N2CCCCCCC2)c(F)c1 782834184 AMANMEKQDNWPPF-UHFFFAOYSA-N 436.531 5.215 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)[C@@H](Sc3ccc(F)cc3)c3ccccc3)o2)cc1 785875316 FQLARNXPYLHPFZ-QFIPXVFZSA-N 445.475 5.324 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c2ccccc2n1 787050735 LQCOLQDTRKSALR-SCLBCKFNSA-N 426.303 5.050 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)c1csc(Br)c1)c1ccc(Cl)cc1Cl 787051244 HLXUHQXWFMVODR-QPUJVOFHSA-N 446.153 5.017 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(Cl)nc2C(F)(F)F)cc1 789968218 VWAAILVDNBEYDW-UHFFFAOYSA-N 447.800 5.679 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(F)c(N3CCOC3=O)c2)cc1 794093275 GBZWAFMZYVBPGH-UHFFFAOYSA-N 447.491 5.199 30 20 IKED COc1cccc(C(=O)/C(=C/c2cnn(-c3ccc(C(F)(F)F)cc3)c2)c2ncc[nH]2)c1 794707730 MRHRELOKIXILCG-JAIQZWGSSA-N 438.409 5.046 30 20 IKED Cc1ccc(Cn2nc(C)c(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)c2Cl)cc1 797571269 PDOCWQVVYZTPMT-INIZCTEOSA-N 426.973 5.446 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(CCc2ccccn2)Cc2cccnc2)cc1 797613048 AUSVFMZNPSYURM-MHZLTWQESA-N 447.542 5.409 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1 806201310 WMVOEXTXPUWJMZ-JVYGEBFASA-N 437.543 5.378 30 20 IKED N#Cc1ccc(/C=C2/SC(=S)N(CCCCC(F)(F)F)C2=O)c(C(F)(F)F)c1 811624740 OZPKVPOMTCHEIZ-MDWZMJQESA-N 438.418 5.511 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 812185066 XEMOEHAJSQSPGE-GZRFBZBPSA-N 439.362 5.153 30 20 IKED N#C[C@H](C(=O)C1(Cc2cccc(F)c2)CCOCC1)c1nc2cc(Cl)ccc2s1 815913692 YXFXAAOWGNLNSL-QGZVFWFLSA-N 428.916 5.305 30 20 IKED COc1cc(C=NOCC(=O)Nc2c(C(C)C)cccc2C(C)C)ccc1OC(C)C 854088195 STXLHSOINQMCBU-UHFFFAOYSA-N 426.557 5.718 30 20 IKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CC2)c1 916208193 WBCLMVABTFDBLY-QGZVFWFLSA-N 448.375 5.425 30 20 IKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(C2CCCC2)C1=O)Nc1ccccc1F 916212031 UBMULICNHDSALV-LJQANCHMSA-N 445.947 5.382 30 20 IKED N#C[C@H](C(=O)Cc1c(Cl)cccc1Cl)c1nc(O)c2c3c(sc2n1)CCCC3 916654279 XCHMFDVNKMKYKD-GFCCVEGCSA-N 432.332 5.001 30 20 IKED C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916846998 JCCOUYBTFXXKAB-RDTXWAMCSA-N 449.576 5.217 30 20 IKED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2cccc(CSc3ccc(C)cc3C)c2)c1 916889286 DVVVNDUYBYBBGD-HSZRJFAPSA-N 444.556 5.566 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)cc1 916913983 JDZCBMUMCNRUKD-NRFANRHFSA-N 445.567 5.439 30 20 IKED Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917045897 CDHLEYPLIOFHBX-GOSISDBHSA-N 438.915 5.310 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 920106759 ZYTXJIUQDHNEEJ-XETPZZHUSA-N 428.488 5.949 30 20 IKED Cc1[nH]c2ccccc2c1C1=CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 920341719 FQDRNSOTRCJQEC-SANMLTNESA-N 446.554 6.453 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)cc1OC 921008453 FTFWTNBAOUKXJF-XWGMLZDCSA-N 448.563 5.092 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ncc(Cl)cc4Cl)cc3)CCC2)C1 1785787861 SFUXLWAYLVHGRO-UHFFFAOYSA-N 430.335 5.102 30 20 IKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc5cc[nH]c45)cc3)CCC2)cc1 1789088164 KZLQXLAIQNWPKG-UHFFFAOYSA-N 448.526 5.030 30 20 IKED CC[C@@H](C(=O)NC1(c2ccc(NC(=O)C/N=C/c3ccco3)cc2)CCC1)c1ccccc1 1789577173 DRWVYADMEPZTOZ-WVWWYIFQSA-N 443.547 5.026 30 20 IKED N#CCC(=O)NC1(c2ccc(NC(=O)c3cc4c(ccc5ncccc54)s3)cc2)CCC1 1789998105 AIJQLEFMDVRLIZ-UHFFFAOYSA-N 440.528 5.111 30 20 IKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C4CCC4)CCC3)cc2)cc(C(F)(F)F)c1 1790784922 BNRZCNGCDDQPOP-UHFFFAOYSA-N 441.453 5.125 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)C1 1805453523 JJWQWEOGXWYOLH-UHFFFAOYSA-N 447.623 5.100 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](CC)c2ccccc2)[C@@H]1c1cccnc1 1810495756 WEXMMYCOZCOOSD-CCDWMCETSA-N 447.623 5.274 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c4c(Cl)cccc34)CC2)C1 1823701230 DHEGTHNWMIAYGH-QFIPXVFZSA-N 439.987 5.021 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](F)c2ccccc2)CC1 1823751558 ZNAPWDIGPNQSFX-DHIUTWEWSA-N 428.592 5.309 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cccs2)CC1 1824141620 XWCHHFQZNCMXQT-MDRMPYQZSA-N 426.626 5.149 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)C(C)C)CC1 1824243666 URZLUSXRCBIBPJ-GOTSBHOMSA-N 446.582 5.257 30 20 IKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CC2CCC(C)(C)CC2)CC1 1824960976 BQSGMLYKKJLXTD-QFIPXVFZSA-N 434.690 5.132 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cccc(C)c3[nH]2)CC1 1828828269 GTUSUEVWAZMGTN-ILBGXUMGSA-N 447.623 5.478 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)ccnc2Cl)CC1 1829065964 IBNRCVOWUCDLRR-IBGZPJMESA-N 449.998 5.100 30 20 IKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(C(C)(C)C)cc2)c1 10167502 OTOMQWYRZDKRST-UHFFFAOYSA-O 443.636 6.120 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c(C)c1)=C(/S)Nc1ccc(F)cc1F 11247653 IAPVVULWRGPSMX-UHFFFAOYSA-O 425.524 5.482 30 20 IKED N#Cc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)cc1 26130243 CMFSKMLJWWBPJC-QHCPKHFHSA-N 448.448 5.292 30 20 IKED C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N(CCC#N)c1ccc(F)cc1 26514531 SVWCNIXJGVYUPC-CYBMUJFWSA-N 448.445 5.215 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)c2ccc(OCc3ccccc3C#N)cc2)c(OC)c1 33240389 IOECJQOFFQICMU-VWLOTQADSA-N 442.515 5.132 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccnc1Oc1cccc(C)c1C 58428478 IYWRTEYMFFPCND-UHFFFAOYSA-N 430.508 5.043 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(Cn2cnc3ccccc32)cc1 63991228 OIQVEWMHJPULGQ-UHFFFAOYSA-N 428.495 5.876 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1 303508516 WMPCPNBQMAUTCG-HXUWFJFHSA-N 428.939 5.066 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Sc1ccnc2cc(Cl)ccc12 426269860 YBDKODLEHFVURC-HUUCEWRRSA-N 442.009 6.402 30 20 IKED CCN(CC)[C@@H](CNC(=O)c1cccc(SCC#N)c1)c1ccc(C(F)(F)F)cc1 430763698 DVQKTBFHZHOSOP-FQEVSTJZSA-N 435.515 5.134 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(F)c(F)cc2Br)o1 435263763 RWNQTKDORPVZBV-UHFFFAOYSA-N 433.208 5.023 30 20 IKED Cc1c(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cnn1-c1ccccc1F 435338936 LUAPNPZGDWNRIJ-UHFFFAOYSA-N 426.451 5.023 30 20 IKED N#Cc1ccc(CC(=O)Nc2ccc(NC(=O)c3cc(Cl)ccc3O)c(Cl)c2)cc1 436665561 NAXITEKKAIATLL-UHFFFAOYSA-N 440.286 5.004 30 20 IKED C[C@@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H](OC1CCOCC1)c1ccccc1 437760774 FJMGIMNOYNBIDE-VFNWGFHPSA-N 447.457 5.024 30 20 IKED CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Nc1ccccc1SC[C@H](C)C#N 438071932 IDHLCBRMIQLQLC-LJQANCHMSA-N 430.577 6.054 30 20 IKED COCCN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 438648527 LCYMXCKKYLIEDL-UHFFFAOYSA-N 429.801 5.050 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)Nc3csc4ccccc34)cc2F)c1 439322395 VOCLTWYMNLFAAJ-UHFFFAOYSA-N 445.475 5.068 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(C#N)cc1OC(F)F 439551248 RNSLZNXBXKUYCO-AWEZNQCLSA-N 447.532 5.283 30 20 IKED N#Cc1cccc(-c2cc(C(=O)N3CCC[C@H]3c3ncc(-c4ccc(Cl)cc4)[nH]3)on2)c1 447513399 VWPJEZLNMFZXGV-NRFANRHFSA-N 443.894 5.234 30 20 IKED C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 460549232 PSDWWCFQXGCXBP-LJQANCHMSA-N 431.565 5.481 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N(C)[C@H](C)c1cnn(C)c1 460959729 OBUODXBCLGTEAO-HXUWFJFHSA-N 442.567 5.031 30 20 IKED CC(C)(C)C(=O)Nc1nccnc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 463175869 WRURCYJICXEWNY-UHFFFAOYSA-N 449.898 5.031 30 20 IKED CC(C)Oc1ccc(-c2nc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)cs2)cc1 464411927 OXPLQWMNRCAIMN-MRXNPFEDSA-N 431.439 5.501 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(OCc3nccn3C)cc2)cc1 464919395 IQHKBRPNNRQBGS-UHFFFAOYSA-N 438.487 5.224 30 20 IKED Cn1ccc2ccc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)cc21 465166812 NTGJDWXSMHNCKY-UHFFFAOYSA-N 440.528 5.033 30 20 IKED CC(C)(NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1nc(C(F)(F)F)cs1 465323271 XBWFMEPDPJMMMZ-UHFFFAOYSA-N 445.466 5.278 30 20 IKED O=C(Nc1cnn(CC(F)F)c1)Nc1cc(C(F)(F)F)ccc1SCC(F)F 467721687 GPVJHDDWNXPBFC-UHFFFAOYSA-N 430.349 5.168 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(C(F)(F)F)c(F)c1C 468107579 AQPGGUKLRXXNIJ-UHFFFAOYSA-N 429.373 5.773 30 20 IKED CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469050463 PMTGOHAPPOQVTC-RTBURBONSA-N 432.568 5.222 30 20 IKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)C[C@@H](CC#N)c3ccccc3)c2)c1 474952718 JWWGHBZOKBFWGU-JOCHJYFZSA-N 426.520 5.343 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 476799970 XLFPYAVYUBRTJC-UHFFFAOYSA-N 434.561 5.592 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 479989334 DQPJEGPZDCAQDN-YGOYIFOWSA-N 442.584 6.260 30 20 IKED C=C(C)[C@@H](NCc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1)c1ccc(F)c(F)c1 481617710 WOONKUIVDLEDHY-HSZRJFAPSA-N 441.547 6.130 30 20 IKED C=CCOc1ccc(CN(C(=O)c2cnn(-c3ccncc3)c2C(F)F)C(C)(C)C)cc1 485682020 YUTGTXAXJVJGJE-UHFFFAOYSA-N 440.494 5.211 30 20 IKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N[C@H](CCCC#N)c3ccccc3)c12 487273800 VGIYPIWVAXDUIM-LJQANCHMSA-N 429.549 5.170 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CSc2ccc(Br)cc21 488334830 XBDPFJTUCSFOQR-BLLLJJGKSA-N 448.411 5.812 30 20 IKED CCCc1ccc([C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2Cl)c2cccs2)cc1 490393631 MQBSRLSSFBYYTP-NRFANRHFSA-N 437.952 5.070 30 20 IKED CN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 498030529 IMRMZJWXBJXUJL-IRXDYDNUSA-N 441.375 5.399 30 20 IKED CCC(CC)[C@H]1C[C@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CCO1 498385307 MGPYVVVOBQZZOT-JWQCQUIFSA-N 437.559 5.393 30 20 IKED N#Cc1ccc(SCC(=O)N[C@@H](c2ccccc2)c2nccs2)cc1C(F)(F)F 499475761 RKTXCCAZEZEXLG-SFHVURJKSA-N 433.480 5.031 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)NCCCC1(C#N)CCOCC1 499628170 WKVWMBPZRBKELK-HNNXBMFYSA-N 448.430 5.632 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)Cc3csc(-c4cccnc4)n3)c2)cc1 501417025 GJDYBKVQONMXMY-UHFFFAOYSA-N 440.528 5.031 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3ccc(-c4nc5ccccc5s4)o3)CC2)cc1 505141891 IPHZUAMEFQVXPN-UHFFFAOYSA-N 429.501 5.112 30 20 IKED C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 508907560 NMKSQROHJBPWRV-CQSZACIVSA-N 447.370 5.328 30 20 IKED COc1cccc([C@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 510025058 YATQDPMDNMFSRA-ILBGXUMGSA-N 445.950 6.373 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1 511023561 AKPDOUXREYIMEL-UHFFFAOYSA-N 448.954 5.226 30 20 IKED Cc1ccc(Sc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4[nH]3)cc2[N+](=O)[O-])cc1 513660365 KXZFXICZPYLTTE-KRWDZBQOSA-N 428.473 5.421 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(c2ncc(C)s2)CC1 517018118 ODPUCYLYMUQLSU-QGZVFWFLSA-N 441.576 5.282 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1NC(=O)c1ccccc1 517517760 IUDMEZYZUYIWSU-SFHVURJKSA-N 429.545 5.894 30 20 IKED C[C@@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 518147813 JVTHVYPXLPNQKM-HOTGVXAUSA-N 438.622 5.580 30 20 IKED CC(C)c1nccn1Cc1cccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1 521075841 VBGQGAJAVOQVOC-UHFFFAOYSA-N 437.503 5.366 30 20 IKED C=CCn1c(SCC(=O)N2CCC[C@H](C)CC2)nnc1-c1ccc(Cl)cc1Cl 521096883 KKVYYLFBIBZQPK-AWEZNQCLSA-N 439.412 5.179 30 20 IKED COc1c(Cl)cc(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1Cl 522093392 WMAXHMWGNWSKSH-UHFFFAOYSA-N 434.323 5.385 30 20 IKED N#Cc1ccc([C@H](Nc2ccc(Oc3ccccc3C(F)(F)F)c(F)c2)C(N)=O)cc1 522374037 DQFCYNILMLQDQK-FQEVSTJZSA-N 429.373 5.147 30 20 IKED CC(C)CCOC1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 522633483 RNLSYCZXJDACTG-UHFFFAOYSA-N 426.944 5.671 30 20 IKED Cc1cnc2c(S(=O)(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)cccc2c1 524382569 JSXDTMKQZBHKFY-UHFFFAOYSA-N 443.528 5.103 30 20 IKED CSc1ccc(O[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 524832504 SHAGJFHBCINAPQ-CYBMUJFWSA-N 440.512 5.839 30 20 IKED CC(=O)N[C@@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccc(F)cc1F 525025295 ALKGIFJEVKCCHV-DEOSSOPVSA-N 449.457 5.143 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)c1 530615701 VVSXQLZDLNOJLT-UHFFFAOYSA-N 435.911 5.373 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC2(CCN(Cc3ccccc3)C2)CC1 536489801 CFKOCXLMAQBJPY-UHFFFAOYSA-N 435.571 5.354 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)c1nc2ccccc2o1 540859401 JWPJQKGCUXUCRP-CQSZACIVSA-N 426.929 5.691 30 20 IKED C[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)Nc1ccccc1Br 541074233 PCVPSRHAMSNKPO-JTQLQIEISA-N 429.261 5.459 30 20 IKED CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc1 541099773 ZRMFPCMCYDEUJB-HXUWFJFHSA-N 435.915 5.165 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)c3occc3CSc3ccccc3)n2)c(Cl)c1 542038550 YJZZTJHAPXKGOI-UHFFFAOYSA-N 434.908 5.535 30 20 IKED N#C[C@@H](C(=O)c1cccc2nccnc12)c1nc(-c2ccc(Cl)cc2Cl)cs1 543574280 QPGIJSNXGFQZCP-AWEZNQCLSA-N 425.300 5.550 30 20 IKED N#Cc1c(Cl)cccc1SCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 543959223 ZUSSPOYGFMXTJS-UHFFFAOYSA-N 427.938 5.256 30 20 IKED N#Cc1cccc(-c2nnc(N3CCC(OCC4CCCC4)CC3)n2Cc2ccccc2)c1 549162352 SLUBEAJCDOFMEN-UHFFFAOYSA-N 441.579 5.041 30 20 IKED Cc1cc(Cl)c2ncc(C#N)c(N3CCC[C@H](c4nc(C(F)(F)F)cn4C)C3)c2c1 553343339 MIAVUIBNQQJJHD-ZDUSSCGKSA-N 433.865 5.205 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCn2c(cc3ccccc32)C1 554162485 HSTVHFUSZFLOIZ-UHFFFAOYSA-N 436.515 6.052 30 20 IKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H](c1ccccc1)N(C)C 554172012 JLCXNFVQJXJSHL-FNZWTVRRSA-N 442.563 5.145 30 20 IKED O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccc(OC(F)F)c(F)c1 560856889 BEHCPUCOJAZZFQ-UHFFFAOYSA-N 433.283 5.023 30 20 IKED C=CCN(C(=O)CCc1cccc(OC)c1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 577242076 QJOKTAYWOWPDTE-UHFFFAOYSA-N 441.484 5.018 30 20 IKED Cc1c(C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)sc2ccc(C#N)cc12 581146111 VSNHHYHDNTYUNT-KRWDZBQOSA-N 446.507 5.290 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 595906724 ZAWSHQZRVYIJPD-UHFFFAOYSA-N 432.954 5.125 30 20 IKED C=CCN(C(=O)c1cc(SC)ccc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 602103976 RTUNKBWHKLJXFA-UHFFFAOYSA-N 425.535 5.581 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 603262737 FAYLOTNLKXMIGD-UHFFFAOYSA-N 445.547 5.898 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CN2C(=O)CSc3ccccc32)cc1Cl 603673357 IGUZTRHVNUOJOK-IBGZPJMESA-N 447.947 5.073 30 20 IKED Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1NC(=O)c1ccccc1 603764276 KGSGAVPSZUWEHW-UHFFFAOYSA-N 448.482 5.559 30 20 IKED Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 605479677 SXPJSIAAKHUIKC-UHFFFAOYSA-N 446.269 5.621 30 20 IKED C=C(C)COc1cccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 608946871 BSAYMBHDZSKNDT-QGZVFWFLSA-N 432.480 5.370 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(F)cc2nc(C)c(C)nc12 609061145 SVNBEHFOUUCNAY-UHFFFAOYSA-N 440.478 5.397 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(c3ccc(F)c(F)c3)CC2)cc1C 609182919 DLSTZSVAJSJOKP-UHFFFAOYSA-N 448.517 5.379 30 20 IKED N#Cc1ccc(CNC(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)c(F)c1 609253326 YIOQPUWSBLBRHW-NRFANRHFSA-N 438.300 5.049 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 609296364 LTVOKYRUOPQFMK-IBGZPJMESA-N 448.473 5.338 30 20 IKED Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 609298981 XVQKWFCYUIVERJ-UHFFFAOYSA-N 443.478 5.286 30 20 IKED Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)[nH]c2c1 609433796 JWLLUNRXVOXWJI-XMMPIXPASA-N 437.503 5.904 30 20 IKED Cc1ccc(OCc2cccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c2)cn1 609620646 YOKRXHPQOZUCKO-UHFFFAOYSA-N 436.471 5.280 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 609723750 ZUVYSYHMHUZPFU-UHFFFAOYSA-N 431.879 5.172 30 20 IKED CCc1nc([C@@H]2CCCCN2C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)no1 609974958 IDGJICPPDVQTDW-IBGZPJMESA-N 436.899 5.317 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N3CCO[C@H](c4ccc(F)c(Cl)c4)C3)c2)cc1 609988739 KAFJSRNQXUHRPI-QHCPKHFHSA-N 435.886 5.308 30 20 IKED Cc1csc(-c2cccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)c2)n1 610048134 JNCLIFZVVWTAPL-UHFFFAOYSA-N 439.540 6.130 30 20 IKED N#Cc1cn(CCOc2cc(Cl)cc(Cl)c2)c2ccc(Br)cc2c1=O 610166756 ZFUODMZIPXUOCH-UHFFFAOYSA-N 438.108 5.021 30 20 IKED C[C@@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1C(F)(F)F 610224458 LUZNGBGXPXGFQP-QGZVFWFLSA-N 438.449 6.093 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(c4cccnc4)CC3)cc2F)c1 611261398 FVTZEUALJVRJNE-UHFFFAOYSA-N 430.483 5.083 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(COCc2ccco2)c1 612519284 FACFMHNXXKFMNB-UHFFFAOYSA-N 430.957 5.609 30 20 IKED C=CCc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc(OC)c1OC 613404963 RFQLXFJDJDRDLI-OAHLLOKOSA-N 446.450 5.551 30 20 IKED O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 613966635 ZFYFHNKTENPIRC-UHFFFAOYSA-N 429.466 5.100 30 20 IKED CCCc1c(NC(=O)[C@@H](C)c2ccccc2C(F)(F)F)cnn1-c1cccc(C#N)c1 615288138 PWSHKLPGAGHLQB-HNNXBMFYSA-N 426.442 5.457 30 20 IKED N#Cc1ccc(N2CCC(NC3CCC(c4cccc(C(F)(F)F)c4)CC3)CC2)nc1 617814327 WHJUQBNSKQRMME-UHFFFAOYSA-N 428.502 5.257 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c(N4CCCC4=O)c3)n2)cc1 642281278 VXYZIJIUKUNJRF-KRWDZBQOSA-N 435.936 5.389 30 20 IKED O=C(c1ncoc1-c1cccc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 680035380 HBFDXRUTXJHKNS-PHIMTYICSA-N 446.269 5.173 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)c1 726319333 GGVMIPWCLVPDPC-INIZCTEOSA-N 429.423 5.099 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)Nc1ccc(C#N)c(Cl)c1 726484911 FLRWYAQLNVPCKG-UHFFFAOYSA-N 434.927 5.934 30 20 IKED CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=S)Nc1ccc(C#N)c(Cl)c1 726489898 VFQRPPRHUWMFLF-UHFFFAOYSA-N 428.920 5.267 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(OCC(C)C)cc2)cs1 728158385 YXBNOAYPSDFCSZ-MDWZMJQESA-N 438.524 5.898 30 20 IKED CCN(CC)C(=O)c1ccc(C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)cc1 729124183 NDIQHLQOPZLAIT-UHFFFAOYSA-N 440.543 5.225 30 20 IKED CC(C)CCN(CCC#N)Cn1nc(-c2ccc(Cl)c(Cl)c2)c2ccccc2c1=O 729465010 GCFAHRGBWHEGID-UHFFFAOYSA-N 443.378 5.590 30 20 IKED C[C@@H](OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nc(O)c2ccccc2n1 730375989 POCWLYUVPGZZAE-CQSZACIVSA-N 429.407 5.056 30 20 IKED Cn1c([C@@H](C#N)C(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)nc2ccccc21 730393823 CHAMMZBIGVCQKA-NRFANRHFSA-N 429.907 5.225 30 20 IKED Cc1ccc(Cn2nc(C)c(CCC(=O)[C@H](C#N)c3nc4ccccc4s3)c2C)cc1 730395231 QTYYKOHBQFRYFS-NRFANRHFSA-N 428.561 5.275 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc2nc(Cl)ccc2c1 731068887 BGFJCPJTASSCGE-AWEZNQCLSA-N 439.924 5.078 30 20 IKED CCOc1ccc(OCC)c(NC(=S)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 731318481 NJTRKWTYLBOVEL-UHFFFAOYSA-N 433.533 5.957 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)ccc1OC 733639863 HZALHIJDBKZMED-RPWUZVMVSA-N 443.547 5.159 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)c1 733798235 RVOJKIGXMNNYKV-ATIYNZHBSA-N 443.547 5.154 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(OCc3cccc(F)c3)cc2C)c1 733844176 HFFBNNYCTPAZRG-QFIPXVFZSA-N 447.510 5.716 30 20 IKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC(Oc3ccc(C)cc3)CC2)c1=S 735071077 GFEDICCVFVZXNV-UHFFFAOYSA-N 438.572 5.216 30 20 IKED N#C[C@H](C(=O)C[C@@H]1CCOc2ccccc21)C(=O)Nc1ccccc1Oc1ccccc1 735593359 KJTZXJAJDXJXHJ-GHTZIAJQSA-N 426.472 5.083 30 20 IKED N#Cc1ccc2ncc(/C=C/C(=O)c3ccc(-c4ccccc4Br)s3)n2c1 736434144 OQLNYGBCOSAZFF-VOTSOKGWSA-N 434.318 5.593 30 20 IKED CCCN(CC)c1ccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 740758487 RGCSNEZQRUAADK-SFHVURJKSA-N 434.565 5.002 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccccc2Sc2ccccc2)ccc1OC 741930378 RKFBITHNGNCWKB-IBGZPJMESA-N 432.545 5.457 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN(C)CCc2cccs2)c1=S 743384092 KJOOFUZQKYMWGV-UHFFFAOYSA-N 435.018 5.026 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)c1 744935949 KGBJRQVKLFVOCQ-AWEZNQCLSA-N 430.316 5.387 30 20 IKED CSCc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1F 747108380 NTKOHMLCIGNIOZ-IBGZPJMESA-N 434.492 5.442 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 747205366 UDGXWGCBPQBOOR-IBGZPJMESA-N 433.826 5.248 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2cccs2)C(=O)N[C@H]1c1cc(C#N)cs1 747959832 MZGXKCXEJKRDJH-FQEVSTJZSA-N 437.521 5.087 30 20 IKED COc1ccc(-c2cc3[nH]c(/C(Cl)=C\c4ccc(C#N)s4)nc(=O)c3s2)cc1 748997294 DDMSKZBPVIPEQR-OVCLIPMQSA-N 425.922 5.330 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)CCC(=O)c2cc(Cl)sc2Cl)c1 755387003 RZIQEWQZCBAXLY-CYBMUJFWSA-N 425.337 5.015 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccc([N+](=O)[O-])cc1F 755616219 WYBOAFYYRDYRIO-BDJLRTHQSA-N 429.860 5.491 30 20 IKED Cc1cccc(Cl)c1NC(=O)COC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 757713463 ZQZTWJOFQLSIHS-UHFFFAOYSA-N 434.879 5.302 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccc(F)cc1OCC#N 760792705 QGMUAAYOPYETIN-UHFFFAOYSA-N 435.402 5.431 30 20 IKED Cc1c(-c2cc(COC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)on2)cnn1C 767547873 WPHVLZNDJNTPQZ-UHFFFAOYSA-N 448.866 5.058 30 20 IKED N#CCOc1ccc(CN[C@H](Cc2ccccc2Br)c2ccc(F)cc2)cc1 768225011 BRIRDMHMNXUEAV-HSZRJFAPSA-N 439.328 5.564 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F 769775432 ZWHSLXKSUFOWKR-FNTDYBJHSA-N 430.813 5.667 30 20 IKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2c(C)noc2C)cc1 773937160 PCMBDHAVGHJEHM-UHFFFAOYSA-O 447.584 5.678 30 20 IKED N#Cc1ccc(N2CCC[C@@H]2C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 777303632 DMGICFXPZJXLJI-PZJWPPBQSA-N 432.936 5.180 30 20 IKED COC1CCN(c2ccc(N[C@@H](C)c3ccc(OCC#N)cc3)cc2C(F)(F)F)CC1 777683205 YMYASLMJZPEAEG-INIZCTEOSA-N 433.474 5.396 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 779021553 UIKLUDHVEWGKBV-ZEYPLWLESA-N 448.567 5.109 30 20 IKED Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)c2c1 781210353 BTMPPJZQALFGDV-UHFFFAOYSA-N 448.461 5.054 30 20 IKED COc1ccc(-c2nn(CN3CCC(CC#N)CC3)c(=S)n2C2CCCCC2)cc1 781572974 YCIGAZLWWQLPNL-UHFFFAOYSA-N 425.602 5.178 30 20 IKED COc1ccc(/C=C\C(=O)c2cnn(C(C)C)c2C)cc1OCc1ccc([N+](=O)[O-])cc1 787186867 OZQFZFJYBQJPHZ-XFFZJAGNSA-N 435.480 5.164 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cc1cccc(Cl)c1Cl 789250253 TXWIRIXISUGXPY-CYBMUJFWSA-N 437.348 5.112 30 20 IKED O=C(C[C@H]1CCCOC1)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 793799789 JZTXDEBXRRGCKC-YMTOWFKASA-N 437.302 5.261 30 20 IKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(CC(F)(F)F)C2=O)cc1 799212992 MESWMQJHLDKURK-SFHVURJKSA-N 449.498 5.134 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccsc3)N(CCCCF)C2=O)c1 812222521 NCKBUQYHFFUHEL-SFHVURJKSA-N 433.574 5.075 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(C)[C@H]2CCCC[C@H]2C(F)(F)F)c1=S 812298114 HPTOEIWBYRWBQH-SJORKVTESA-N 440.535 5.286 30 20 IKED Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cs1 813212784 GDWTZFIHKIEACE-INIZCTEOSA-N 447.457 5.826 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2sc3ccc(Br)cc3c2C)c1 815907641 GPDKTXAUFOFJMW-INIZCTEOSA-N 427.323 5.242 30 20 IKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2cccs2)C1=O)Nc1ccccc1F 837520887 MTIGYHJLRPGTKA-LJQANCHMSA-N 439.537 5.048 30 20 IKED C[C@H](Oc1ccc(Cl)cc1Br)C(=O)[C@H](C#N)c1nc2ccccc2s1 915098164 JFUJTMLIVGIFEH-JQWIXIFHSA-N 435.730 5.356 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1nc2ccccc2s1 915098582 YNPXYEYZSIDXPA-PBHICJAKSA-N 444.343 5.084 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1nc2ccccc2o1 915103360 UEJOSKLPEZWGBI-HNNXBMFYSA-N 427.407 5.389 30 20 IKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccco2)C1=O)Nc1ccccc1 916211664 FEHONEMEBRYTBY-LJQANCHMSA-N 439.924 5.094 30 20 IKED FC(F)(F)c1cccc(NN=Cc2sc(N3CCOCC3)nc2-c2ccccc2)c1 916259713 GFWIDLJYINTHMP-UHFFFAOYSA-N 432.471 5.112 30 20 IKED N#C[C@H](C(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1nc2ccccc2[nH]1 916844585 OVORTUKIJSUFLL-QGZVFWFLSA-N 440.553 5.955 30 20 IKED N#C[C@H](C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1cccc2ccccc12 916915964 LYOCFISEGSHVJO-IBWPDUFMSA-N 442.824 5.873 30 20 IKED C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12 916917403 GTLVOHQJCLOWMI-DYVFJYSZSA-N 427.287 5.261 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C3SCCCS3)cc2)cc1 916955630 SJBPIUAWFSWZLP-IIBYNOLFSA-N 438.618 6.030 30 20 IKED COc1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916996694 OCSQMMSEYDGULD-PXAZEXFGSA-N 447.343 5.769 30 20 IKED CC(C)(C)c1noc(CCC(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)n1 917031823 AKNQXQAXGPMAQK-HHUAMSDTSA-N 438.597 5.100 30 20 IKED CCOc1cc2c(cc1/C=C/C(=O)[C@H](C#N)c1nc3cc(Cl)ccc3s1)O[C@@H](C)C2 917046546 KVLFZRQNJPDUNS-UNLYUMJVSA-N 438.936 5.561 30 20 IKED COc1cc(C=NOCc2cccc(C(=O)Nc3ccccc3)c2)ccc1OC(F)F 917394129 RGBBSIGTFKHYBH-UHFFFAOYSA-N 426.419 5.100 30 20 IKED CC(C)(CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1 918472977 SUGWADSWEUXBFL-QHCPKHFHSA-N 445.950 5.028 30 20 IKED C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920142960 XUWQMJJDTNRLMZ-IIBYNOLFSA-N 429.545 5.623 30 20 IKED N#C[C@H](C(=O)C1(c2cccc(Cl)c2)CCC1)c1nc(-c2c(F)cccc2F)cs1 920806302 JSKDPVOGOCZAGL-OAHLLOKOSA-N 428.891 6.040 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)Cn3ccc4c(F)cccc43)cc2)CCC1 1786107650 JLJIHKJZGWKVDF-SFHVURJKSA-N 433.527 5.127 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1786369248 WCOBNOOZAQSKHC-HXUWFJFHSA-N 445.563 5.044 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(F)nc3)CCC2)cc1 1789453080 JJIYJHLSTKAWBX-JOCHJYFZSA-N 435.543 5.056 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3[nH]ccc3s2)[nH]n1 1819554867 RSZZAMWWMRULKC-QGZVFWFLSA-N 439.585 5.251 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)cc2)n[nH]1 1820562017 SLBLDXPKBLWCGV-ICSRJNTNSA-N 426.948 5.137 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)[nH]n1 1821922386 IQMQWBXLBKFLJE-BXUZGUMPSA-N 441.384 5.296 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(F)cc2F)CC1 1831374585 QZMONZOFVLNWFB-QVKFZJNVSA-N 438.946 5.064 30 20 IKED COc1ccccc1-c1nnc(SCc2ccccc2C#N)n1CCc1ccccc1 11069407 LMXNAKYOBVJRBE-UHFFFAOYSA-N 426.545 5.360 30 20 IKED C=CCN(C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)c1nc(-c2ccccc2)cs1 15608267 DMNNCGCUWWUYDK-UHFFFAOYSA-N 449.576 5.668 30 20 IKED C=CCn1c(C)cc(C2=Nn3c(nc4scc(-c5ccccc5)c4c3=O)SC2)c1C 16331461 RPQSSWFDZIFKTH-UHFFFAOYSA-N 432.574 5.087 30 20 IKED COc1cc(C(=O)/C=C/c2c(C)nn(Cc3ccccc3Cl)c2C)cc(OC)c1OC 16407757 CNSHBVMTIQORSU-ZHACJKMWSA-N 440.927 5.124 30 20 IKED C=CCn1c(SCc2ccccc2Br)nnc1[C@@H]1COc2ccccc2O1 21242540 OGWZKQGKBGIZAT-SFHVURJKSA-N 444.354 5.031 30 20 IKED C=CCn1c(SCC(=O)c2cc(C)n(CCc3cccs3)c2C)nnc1C1CC1 21990227 PICHVDSHBAPPEJ-UHFFFAOYSA-N 426.611 5.039 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(OCC)cc2)=C(/S)Nc2ccc(CC)cc2)cc1 22731015 YHNAXKVKNJVTNB-UHFFFAOYSA-O 447.624 5.939 30 20 IKED N#CCC[C@H](C#N)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CCCC3 24093372 YTKWWMVNNGTJOQ-CQSZACIVSA-N 438.553 5.001 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(-c2ccc(F)cc2)s1 33196231 XAIGHYAEEKQQCF-VXGBXAGGSA-N 439.396 6.194 30 20 IKED COc1cc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)ccc1OCCC(C)C 58499003 HWVFMVKYYFFJBN-UHFFFAOYSA-N 434.458 5.196 30 20 IKED COc1ccc(CNCc2ccc(-c3ccc4c(c3)CCO4)cc2)cc1OCCCC#N 64614621 IDHHUDLQYKYDQM-UHFFFAOYSA-N 428.532 5.269 30 20 IKED N#CC1(C(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)CCCCC1 72029788 FNZUUTGRHBRZIF-UHFFFAOYSA-N 427.382 5.550 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](Oc1ccccc1)c1ccccc1 107805409 RTHKLCIBFDXBIL-VWLOTQADSA-N 435.483 5.813 30 20 IKED Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c12 261377288 DEKYOQHIUXUNIR-UHFFFAOYSA-N 436.519 5.055 30 20 IKED Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)nc12 429558637 FPQIWOMOVCLMMI-GOSISDBHSA-N 427.851 5.074 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1 429657806 GRUODVPFFKRPPR-UHFFFAOYSA-N 429.398 6.038 30 20 IKED CC(C)(c1ccc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)cc1)C(F)(F)F 429675066 LTVDSPVVRADNQP-UHFFFAOYSA-N 430.474 5.142 30 20 IKED Cc1c(C#N)cccc1NC(=O)c1cccnc1Oc1ccc(F)cc1Br 432331042 IMCFDCXLZPLRIO-UHFFFAOYSA-N 426.245 5.208 30 20 IKED Cc1csc(C2(NC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CCC2)n1 435133139 PGXSKEOJSVZKPN-UHFFFAOYSA-N 432.549 5.412 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)cc1 435676524 UYOJKFPCPPGADZ-UHFFFAOYSA-N 429.307 5.138 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)N[C@@H]1COc2ccc(F)cc21 436395001 VFCYMVCJQSDBPX-LSDHHAIUSA-N 436.327 5.271 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)Nc2cccc(Oc3ccccn3)c2)CC1 438661825 UWRPGNHPNIQUAO-UHFFFAOYSA-N 428.492 5.257 30 20 IKED CCCc1c(NC(=O)Nc2ccccc2S[C@H](C)CC#N)cnn1-c1cccc(C#N)c1 439340624 NBZKJLHGROLGMK-QGZVFWFLSA-N 444.564 5.735 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1 439375544 XVOCKUNMZQVDNT-QFIPXVFZSA-N 426.476 5.526 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2csc3ccccc23)cc1Cl 440525580 VMSVYEZQCDMDMG-LJQANCHMSA-N 445.931 5.787 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1F 444115009 BMVPTTNSEASOTN-UHFFFAOYSA-N 449.441 5.737 30 20 IKED Cc1c(-c2nc(COCC(F)(F)C(F)F)no2)sc2nc(C(F)(F)F)ccc12 445769055 YIYWNSISWVSLMF-UHFFFAOYSA-N 429.317 5.091 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)CCc2cnn(-c3ccccc3)c2)c1 460340017 RJQOWWVKSAGMKY-UHFFFAOYSA-N 440.934 5.563 30 20 IKED COc1cc(CNC(=O)C(C)(C)c2csc(-c3c(F)cccc3Cl)n2)ccc1C#N 460583933 HNPTWJYDUUHGJT-UHFFFAOYSA-N 443.931 5.077 30 20 IKED Cc1cccc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c1NC(=O)c1ccccc1F 464428718 NPVLQOMGHBNNDD-QGZVFWFLSA-N 441.384 5.290 30 20 IKED C[C@H](NC(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1ccc(C#N)cc1 465659562 NRHTYLDTYJBJPA-HNNXBMFYSA-N 440.425 5.325 30 20 IKED C[C@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)Sc1ccccc1 466314574 PIJXAMXMAWSWNY-LJQANCHMSA-N 431.561 5.634 30 20 IKED C=CCn1c(SCc2cc(-c3cnn(C)c3)no2)nnc1-c1ccc(C(C)(C)C)cc1 468890090 IHCFMOTZFKKBPJ-UHFFFAOYSA-N 434.569 5.109 30 20 IKED Cc1ccc(C)c(OCCCCC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 469949985 GLGTUHAYMCUITH-UHFFFAOYSA-N 433.552 5.074 30 20 IKED COc1cc(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)ccc1OCc1cccc(C#N)c1 470196511 ZQZQIDSLPGXXOF-CJAUYULYSA-N 434.561 5.169 30 20 IKED Cc1nc2cc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)ccc2n1Cc1ccsc1 473090979 VVEQLLDSTXTCRB-UPVQGACJSA-N 440.572 5.367 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl 475562252 NJOJNALXTSDXOY-UHFFFAOYSA-N 434.367 5.948 30 20 IKED CN1CCC[C@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 476077953 HVDWVLXCGODBPX-KNQAVFIVSA-N 443.513 5.319 30 20 IKED C=C(C)[C@H](NC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(F)c(F)c1 477747449 PMNXVOFUPMFBPB-NRFANRHFSA-N 432.898 5.540 30 20 IKED CO[C@]1(C)CCCN(C(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)CC1 477837374 JOLDRWZGASRTKT-XMMPIXPASA-N 441.597 5.056 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)NC(c1cccc(OC)c1)c1cccc(OC)c1 481779443 MTEOGFVWAALRJC-UHFFFAOYSA-N 441.531 5.063 30 20 IKED C[C@H](NC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1cn[nH]c1 482341605 FDLLFYMIRNUOFS-JVXZTZIISA-N 448.289 5.111 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cn4nc(C)cc4C)cc3)n2)cc1 488377741 XRZCWRZZRRAXHA-QFIPXVFZSA-N 442.544 5.170 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1c[nH]c2ccccc12)C(F)(F)F 490871387 PELNHVVEGHIHSP-OAQYLSRUSA-N 428.458 5.511 30 20 IKED CCN(C(=O)CSCc1ccc(C#N)cc1)[C@H](c1cccnc1)c1ccc(F)cc1F 496572710 MZNPJDCXTRUEFH-XMMPIXPASA-N 437.515 5.103 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)N[C@@H](Cc3ccccc3)c3cccs3)CC2)c(F)c1 497558990 BEOXHKOHHANNOO-QFIPXVFZSA-N 449.551 5.296 30 20 IKED N#C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1ccc(Cl)cc1 499812300 MLADHJUMHNCOTN-KRWDZBQOSA-N 436.751 5.694 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1Cc2cc(Br)ccc2C[C@H]1C 499894663 GPTDDCLACFJCIJ-HUUCEWRRSA-N 444.398 5.680 30 20 IKED C=C(C)CN(CC)C(=O)[C@H](C)Sc1nnc(-c2ccccc2F)n1Cc1ccccc1 501578168 DOUQRTKSCJBKOU-SFHVURJKSA-N 438.572 5.038 30 20 IKED COc1cc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)ccc1NC(C)=O 502498989 PEKBTVXYSUEHRB-UHFFFAOYSA-N 444.491 5.057 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CC2)cc1 503474166 XGKSGPPFKQUTTO-UHFFFAOYSA-N 438.462 5.683 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1 504743228 UEXMTBWKUFTHQR-UHFFFAOYSA-N 442.359 5.279 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)N[C@@H](Cc3ccc(Cl)cc3)c3ccccn3)CC2)cc1 504974188 XUNUNTCOJDPDOX-VWLOTQADSA-N 442.950 5.389 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12)c1ccccn1 505298776 DDGGJGQAPVALRJ-LJQANCHMSA-N 428.289 5.549 30 20 IKED N#C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1cccc(Cl)c1Cl 505337439 IMSLLUKFBDOQFY-FQEVSTJZSA-N 448.313 5.236 30 20 IKED COc1ccccc1-n1ncc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1C 507782450 GJSAJFSBZKJVPI-UHFFFAOYSA-N 440.528 5.140 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)CCc2ccc(O)cc2)cc1 508262700 BVJDRXUXPUXDEE-KRWDZBQOSA-N 431.492 5.208 30 20 IKED N#C[C@H](C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cn1 509578823 RVNSIGNDYNTRRG-SFHVURJKSA-N 428.797 5.475 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cscc3Br)cc2Cl)c1 510826026 MQTWQYAJHHJFOY-UHFFFAOYSA-N 447.741 5.867 30 20 IKED C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)[C@H]1CCCN(C2CCC2)C1 511255110 UVSDNQOYFWVKBA-RDPSFJRHSA-N 448.586 5.062 30 20 IKED Cc1ccc(C(=O)Nc2cccc(CNC(=O)Nc3ccc(C(C)(C)C#N)cc3)c2)cc1 511623664 BFYOSILDNSKHGM-UHFFFAOYSA-N 426.520 5.370 30 20 IKED Cc1ccc(-c2c(C)sc3nc(CSc4nnc(C)c(C)c4C#N)nc(O)c23)cc1 511848748 VXMXLOXJIQXXJN-UHFFFAOYSA-N 433.562 5.252 30 20 IKED Cc1csc(Nc2ccc(NC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)cc2)n1 511877946 WHYOHMVUHKOQDN-UHFFFAOYSA-N 435.528 5.061 30 20 IKED N#C[C@H](C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1nc2ccccc2s1 513676317 CIQKTLLSESNIOU-CYBMUJFWSA-N 437.933 5.754 30 20 IKED CCOc1ccc2cc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)[nH]c2c1 515577102 JMAOAHQFEKQXDS-UHFFFAOYSA-N 425.488 5.464 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)c(C)c2c1 519485349 VLIOMBYGSJTYKQ-GOSISDBHSA-N 429.303 5.564 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 520174699 VRZRODLSYPEIEO-SFTDATJTSA-N 446.595 5.366 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1OC(F)F 520431433 MRMFIFAGEXVXLH-LLVKDONJSA-N 436.386 5.188 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C 522427830 LMONYYFDDQYEDB-YKSBVNFPSA-N 425.532 5.856 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccccc3NC(=O)c3ccccc3)c2)c1 524501887 VZYZWCFHOHGGNP-UHFFFAOYSA-N 447.494 5.642 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@@H](C)c1cccc(C(F)(F)F)c1 532490922 PCTIXQYIVJCKNT-HOTGVXAUSA-N 435.515 5.731 30 20 IKED COc1ccc(Br)cc1CNC(=O)Nc1ccccc1SC[C@H](C)C#N 532636435 ACEQVZUYWZSQKV-CYBMUJFWSA-N 434.359 5.031 30 20 IKED N#CCCn1cc(CN2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c(-c2ccccc2)n1 536695524 GNHUDIOZIUZKCU-QFIPXVFZSA-N 440.469 5.056 30 20 IKED CC(C)Cn1ncc(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1C(F)F 537324688 FWSSCXFFISIZQX-AWEZNQCLSA-N 443.338 5.529 30 20 IKED COc1cc([C@@H](C)NCc2nnc(-c3cccc(C#N)c3)o2)ccc1OCc1ccccc1 539252171 CFXJEQKBRMCVCK-GOSISDBHSA-N 440.503 5.047 30 20 IKED C=CCCC[C@H](C)NC(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1 539430401 NGQVYAKVOCVZRS-HNNXBMFYSA-N 427.595 5.158 30 20 IKED CCOc1cccc([C@H]2C[C@@H]2NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 540528832 APZBYODNRDVISH-RPWUZVMVSA-N 428.557 5.535 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@H]2CCC(C)(C)c3cccc1c32 540686120 XPQIKRVXLRDFDX-CBGDNZLLSA-N 447.604 5.293 30 20 IKED CN(C(=O)c1cccc(COc2ccccc2C#N)c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 541633661 HXGAXMHVMNFSLZ-RSXGOPAZSA-N 444.506 5.269 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cnn(CCC(F)(F)F)c1 543141986 WBXSZPAUOGBVDT-UHFFFAOYSA-N 436.381 5.112 30 20 IKED CC(C)c1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c2cnn(C(C)C)c2n1 549797494 WSHIOZPKEATXIU-OAHLLOKOSA-N 437.956 5.889 30 20 IKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 550249043 DWCCXCXDWLFMBV-OAHLLOKOSA-N 425.410 5.673 30 20 IKED O=C(NCC1CC(F)(F)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 552676410 VKFFBNVNEKBICG-FUCUVXDHSA-N 433.383 5.270 30 20 IKED CCOc1cccc([C@H](C)NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1 552895290 IOHOEKQRRCDIRP-KRWDZBQOSA-N 425.960 5.094 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1ccc(Br)c2cccnc12 554872177 NETRLGKKCOXVND-UHFFFAOYSA-N 438.712 5.194 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H]2c2ccc(Br)cc2)c1C 555416986 MVGWBYKNRZMNQP-JOCHJYFZSA-N 440.385 5.150 30 20 IKED CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@@H](c1ccc(Cl)cc1)c1ccccn1 559774812 XTPHQAOPINERQQ-IBGZPJMESA-N 444.844 5.272 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1 560000452 SJGBIHGASCUVOM-OAHLLOKOSA-N 439.437 5.481 30 20 IKED N#Cc1cc(Oc2ccc(NCc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)cc2)ccn1 565745481 IOIRYWCLDAXNNR-UHFFFAOYSA-N 435.409 5.767 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1)C1CC1 576065915 MPOSWCARRBWSPX-UHFFFAOYSA-N 429.451 5.257 30 20 IKED O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 578059682 HKTFJEAAGFMKAS-WBVHZDCISA-N 436.371 5.540 30 20 IKED N#Cc1ccnc(N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1Cl 579145013 ZKAYKSAOTMRMAJ-CQSZACIVSA-N 435.755 5.222 30 20 IKED C[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1cccc(C(F)(F)F)c1 588091336 RTQFJKOWPSJUBD-CQSZACIVSA-N 435.421 5.030 30 20 IKED CC[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 589363472 ABLBGOOJCKVVBS-NRFANRHFSA-N 427.508 5.008 30 20 IKED COc1cc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)ccc1OC1CCCC1 589470181 RSELZTJHZBDPJP-UHFFFAOYSA-N 429.476 5.328 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)c2C#N)C1 590612923 DQBTYXNOTNUYCW-CYBMUJFWSA-N 448.514 5.013 30 20 IKED N#C[C@H](C(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1)c1ccccn1 605257598 RWBKLIVQNNPIIS-INIZCTEOSA-N 425.275 5.522 30 20 IKED CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1 607624117 VRNWSCJDKMANPW-UHFFFAOYSA-N 446.938 5.307 30 20 IKED FC(F)(F)c1cc(N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)nc(-c2ccncc2)n1 608080400 VZKGSXCKSIHQGP-PHIMTYICSA-N 444.301 5.125 30 20 IKED C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)C(c1ccccc1)c1ccccc1 608803401 BHNGZGGRNYEQPB-HXUWFJFHSA-N 436.511 5.681 30 20 IKED COCCSc1ccc([C@@H](C)N=c2c(C#N)c[nH]c3ccc(OC(F)F)cc23)cc1 609192848 LJABBCUITXWQIG-CQSZACIVSA-N 429.492 5.041 30 20 IKED CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 609497556 IFTRCOHILUJXPU-UHFFFAOYSA-N 430.504 5.224 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccnc(OCC(F)(F)F)c1 610172960 NTFWWVBNCZDUHF-UHFFFAOYSA-N 427.382 5.247 30 20 IKED N#CCCCOc1cccc(NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)c1 610434132 PUCIVSBXXIFDFQ-UHFFFAOYSA-N 431.439 5.764 30 20 IKED CCOC(=O)c1sc(NC(=O)c2cncc(-c3ccc(Cl)cc3)c2)c(C#N)c1C 610705551 DEYRKIIVIDZICB-UHFFFAOYSA-N 425.897 5.073 30 20 IKED COc1cc(OC)c2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)[nH]c2c1OC 613319114 OVXLMHHXVXBZKZ-MRXNPFEDSA-N 447.516 5.116 30 20 IKED N#C[C@@H](C(=O)c1cc(F)cc(Br)c1)c1nc(-c2ccc(Cl)cc2)cs1 613319303 BWLNTIVMAJYPTB-HNNXBMFYSA-N 435.705 5.855 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)n[nH]2)o1 613344941 XPJXRLQXZPAEGD-ZDUSSCGKSA-N 443.315 5.899 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](c2cccs2)C(C)(C)C)nnc1-c1ccoc1C 613907765 KRVBFTHCOMUSKG-SFHVURJKSA-N 430.599 5.090 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 618786727 VGBDWZGTOBWCJN-LJQANCHMSA-N 435.936 5.251 30 20 IKED N#Cc1cc(Cl)c(C(=O)N[C@@H]2CSc3ccc(Br)cc32)c(Cl)c1 618885818 LLTKHVOMLQZPAN-CYBMUJFWSA-N 428.138 5.204 30 20 IKED C=CCn1c(S[C@H](C(=O)N2CCC[C@H](C)C2)C(C)C)nnc1-c1ccc(Cl)cc1 639428405 VHZFPHYBDFYDQA-LPHOPBHVSA-N 433.021 5.160 30 20 IKED O=C(Nc1ccc(-c2cccc(F)c2)c(F)c1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 680262899 VCXXDZODEKRUFO-GJZGRUSLSA-N 438.318 5.836 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](OC3CCCC3)c3ccccc3)n2)cc1 727050045 NSKSPMCKNRCECR-ZJSXRUAMSA-N 432.545 5.695 30 20 IKED O=C(OCC(F)(F)F)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 727553106 NMWDESBRCGNICQ-UHFFFAOYSA-N 446.269 5.118 30 20 IKED N#CCCn1cc(C(=O)COC(=O)c2csc(-c3ccccc3Cl)n2)c2ccccc21 727562569 DIWDYERDGJCYCZ-UHFFFAOYSA-N 449.919 5.372 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1 728062769 POCUACCDECGZPF-FQEVSTJZSA-N 427.548 6.008 30 20 IKED Cc1cc(C(=O)Nc2ccccc2Sc2nccn2C)c(C)n1-c1ccc(C#N)cc1 728274100 UNTIMXIYYGAVRP-UHFFFAOYSA-N 427.533 5.103 30 20 IKED N#C[C@@H](C(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1nc2cc(F)ccc2s1 730695349 HSWFJCBCAPUQTR-AOMKIAJQSA-N 438.430 5.710 30 20 IKED Cc1ccc([C@@H](NC(=O)NCc2ccc(OCC#N)cc2)c2ccc(F)cc2Cl)cc1 731043844 KJBSXFHYZYXKOC-HSZRJFAPSA-N 437.902 5.279 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)cc2)C[C@H](C)O1 731980858 HRWWPAQKJHXCMN-PMACEKPBSA-N 441.531 5.411 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(C)Cc2ccc(Cl)cc2Cl)ccc1OC 733655040 WDBVWNWXIGATJQ-QGZVFWFLSA-N 436.339 5.025 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)cc1 733920671 GGSPUBBPKALZNA-QHCPKHFHSA-N 439.902 6.435 30 20 IKED COc1ccc(-n2c(C)cc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)c2C)cc1 734081135 DWMJEEZQEYCPLT-OAQYLSRUSA-N 428.517 5.111 30 20 IKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740057800 MIKMLCVELZWUCO-RCZVLFRGSA-N 445.588 5.596 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)/C(=C/c3ccc(F)cc3)c3cccs3)o2)c1 741832847 RUAIFXUAVIPLSC-XDHOZWIPSA-N 431.448 5.093 30 20 IKED O=C(/C=C/c1ncc(-c2ccc(Br)cc2)[nH]1)c1c(Cl)nc2sccn12 741844414 OXNHTDCICHJNIW-AATRIKPKSA-N 433.718 5.098 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(Cc2cccs2)C(=O)N[C@@H]1c1scnc1C 743741347 DPUJPDWZAOIJOE-SFHVURJKSA-N 443.981 5.433 30 20 IKED C[C@@]1(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)CCCN(C(=O)c2ccccc2)C1 744034621 CTSFEYHEHBBPOC-GAJHUEQPSA-N 437.952 5.068 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(Oc2ccccc2Cl)nc1 746517885 HRBNSQOGKBIFRH-UHFFFAOYSA-N 428.879 5.276 30 20 IKED C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 746806558 DHAQGGGIWAFPOV-GUXYNYLLSA-N 431.561 5.304 30 20 IKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)c1 747108731 QKSZFDPIAAXYCJ-IBGZPJMESA-N 438.842 5.241 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cc1 747194080 RNZDOJXSKCLOHD-OAQYLSRUSA-N 443.572 6.232 30 20 IKED CCOc1ccccc1Oc1ccccc1C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1 748913622 OLRDFDPRWXLEAJ-UHFFFAOYSA-N 441.443 5.156 30 20 IKED CN1C(=O)CCc2cc(C(=O)[C@@H](C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)ccc21 759216883 GUSGHKGDQXEDSQ-SFFYXXADSA-N 445.588 5.010 30 20 IKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1sc2cccc(C)c2c1Cl 759235879 CJYFORGLFDOKCG-CYBMUJFWSA-N 442.924 5.190 30 20 IKED COc1ccccc1COc1cccc(NC(=O)Nc2ccc(F)cc2OCC#N)c1C 759973953 SVAGHFWJSIBKRE-UHFFFAOYSA-N 435.455 5.268 30 20 IKED CCN1C/C(=C\c2cnc(C3CCC3)s2)C(=O)/C(=C/c2cnc(C3CCC3)s2)C1 760264015 JIOMYFZLLXMXJL-BEQMOXJMSA-N 425.623 5.506 30 20 IKED CCc1cccc[n+]1/C(C(=S)Nc1ccc2ccccc2c1)=C(/O)c1ccc(C#N)cc1 762440987 PXSCCQWDLWYMTI-UHFFFAOYSA-O 436.560 5.885 30 20 IKED C=CCn1c(-c2ccncc2)nn(CNC2(c3cccc(C(F)(F)F)c3)CCC2)c1=S 764135424 OOAOKBKBMHZTAB-UHFFFAOYSA-N 445.514 5.307 30 20 IKED C[C@@H](OC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 767637471 PQXHWPZPTZDIFG-CYBMUJFWSA-N 445.397 5.089 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1cc(=O)oc2cc(C)ccc12 768402471 LEUJCXRILDYPLZ-UHFFFAOYSA-N 433.533 5.059 30 20 IKED COc1ccc([C@@H](OC(=O)c2cn(CCCC#N)c3ccccc23)[C@@H](C)n2cccn2)cc1 774078505 AXVNIUTYBMYKFW-CLOONOSVSA-N 442.519 5.309 30 20 IKED C=C(Cl)COc1ccc([C@H](C)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)cc1 774490235 GJSIZURHNFMQBD-AWEZNQCLSA-N 447.906 5.091 30 20 IKED C[C@H](CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)C(=O)c1ccc(Cl)cc1 777336429 NJMVGNIHHIBOPA-MRVPVSSYSA-N 440.714 5.263 30 20 IKED N#C[C@H](C(=O)CCCCC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1Cl 778604853 DZTYQLCPBVEFSY-MRXNPFEDSA-N 435.282 5.223 30 20 IKED Cn1cc(CNc2ccc(OCc3cccc(C#N)c3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 779595780 NNDHGIRDWMAKMH-UHFFFAOYSA-N 439.475 5.058 30 20 IKED CC(C)n1cc2c(n1)[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)CCC2 780424475 OUPYVXVCVYJXEO-JOCHJYFZSA-N 430.577 5.435 30 20 IKED CC(C)n1cc2c(n1)[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)CCC2 780424478 OUPYVXVCVYJXEO-QFIPXVFZSA-N 430.577 5.435 30 20 IKED Cc1cc(Br)c2oc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cc2c1 783077535 SZEITKWTKAJJIN-KRWDZBQOSA-N 447.288 5.618 30 20 IKED C[C@H](OC(=O)[C@H]1CC[C@H](C(=O)O[C@@H](C)c2cccc(C#N)c2)CC1)c1cccc(C#N)c1 784581592 GHLNCODBGLUQCD-GPHNJDIKSA-N 430.504 5.145 30 20 IKED CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](N[C@@H]3CCc4cc(C#N)ccc43)c3ccccc3O2)C1 787027141 OWUNWOIFIZYOLQ-KHVXQDHOSA-N 445.563 5.039 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)N1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1 791842221 UFWJAARDVGJTMP-IBGZPJMESA-N 435.421 5.896 30 20 IKED N#C[C@@H](C(=O)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1)c1cnc2ccccc2n1 792102097 DJCJEIZFQKZCFI-VOIUYBSRSA-N 448.309 5.933 30 20 IKED N#CCSc1ccccc1C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 792520819 NQFVOXDQQFZQFL-UHFFFAOYSA-N 431.233 5.216 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)c1ccccc1 793009611 LTPUJPMDFBSXPS-LADGPHEKSA-N 435.568 5.042 30 20 IKED CC(C)(C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1cc(F)cc(C#N)c1 796907175 ZKWAJOGPTXFAJH-HNNXBMFYSA-N 425.435 5.253 30 20 IKED CC(C)c1ccc(S(=O)(=O)c2ccc(NN=C3CCCC34CCOCC4)cc2)cc1 799869781 KGBGRZPWALJVMA-UHFFFAOYSA-N 426.582 5.391 30 20 IKED N#C[C@H](C(=O)COc1ccc(C2SCCCS2)cc1)c1cc(C(F)(F)F)ccn1 813212243 ADIWDCIDTGBLID-INIZCTEOSA-N 438.496 5.224 30 20 IKED Cc1ccc(COc2cccc(NC(=O)C(=O)N[C@@H](CCCC#N)c3ccccc3)c2)cc1 815789845 PMCLRBTUTQKOOZ-VWLOTQADSA-N 441.531 5.064 30 20 IKED FC(F)Oc1ccc(NC(=S)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 914706715 FCDQMHJXVIRUFW-JZYVYDRUSA-N 436.368 5.484 30 20 IKED Cc1ccc(N2C(=O)C[C@H](C(=O)[C@@H](C#N)c3nc4ccccc4o3)[C@H]2c2cccs2)cc1 915102620 ARTXQLTUDFWWIS-IXFSTUDKSA-N 441.512 5.168 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1 915354141 WDMROQBJOCRLRD-JOCHJYFZSA-N 439.437 5.605 30 20 IKED CCOc1cc(C=Nn2c(S)nnc2-c2ccccc2Cl)ccc1OCC(C)C 916277196 XUCJTBQGCXWFQB-UHFFFAOYSA-N 430.961 5.203 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl 916694477 ILTYQGAWSUXJRH-CQSZACIVSA-N 427.422 6.254 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(-c2ccc(Cl)cc2)s1 916927750 CQOZOYJYUSJEJC-AWEZNQCLSA-N 449.746 6.336 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)cc1Cl 916940019 KAOZSHVTIQJGPH-IERDGZPVSA-N 449.938 5.337 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(Cc3ccccc3)n2)cc1 916949461 OPNLBWHFMKAOCW-VGOFRKELSA-N 431.561 5.137 30 20 IKED N#C[C@H](C(=O)CCSc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995750 HBOHOXCKFKQVAP-MRXNPFEDSA-N 433.385 6.476 30 20 IKED N#C[C@@H](C(=O)CCc1ccc(Cl)s1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997201 TUNNZEYZKOHOPE-ZDUSSCGKSA-N 441.792 6.641 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1c[nH]c2cc(F)ccc12 917536873 YSKRDCBYLAPNBX-UHFFFAOYSA-N 436.899 5.589 30 20 IKED O=C(CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)Nc1ccc(SC(F)F)cc1 918741140 SOXVELAMRPDJEP-NXEZZACHSA-N 436.368 5.003 30 20 IKED C=CCN(C(=O)c1ccccc1OCC#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 919987687 ODUTZIOHUDAULM-UHFFFAOYSA-N 444.343 5.852 30 20 IKED COc1cc(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OCc1ccccc1 920102786 YYTUZGMZLGJXCD-NRFANRHFSA-N 438.483 5.269 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@H](C#N)c2nc(C)cs2)c(OC)c1 920103699 HSYXXSMQDULDHB-FQEVSTJZSA-N 445.544 5.426 30 20 IKED CCCCCCCC(=O)Nc1cccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 935622144 VGFRFAVFFGAEDI-UHFFFAOYSA-N 448.567 5.036 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(F)c(F)c3)cc2)CCC1 1786179971 FIPFQTYWYQZHPH-SFTDATJTSA-N 436.502 5.006 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4ccccc34)cc2)CCC1 1788896478 AKPYJSZPEWAOAQ-IBGZPJMESA-N 443.547 5.388 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cnc(Cl)c(Cl)c3)cc2)CCC1 1789739370 JFNGVOGSHCONGK-UHFFFAOYSA-N 444.362 5.330 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C2 1792573710 QXANLRJNKANXGI-PVIWCNJMSA-N 429.004 5.074 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C(F)(F)F)c1C 1803837241 MPDDYYAJAAPCGH-BCDXTJNWSA-N 436.518 5.258 30 20 IKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cc(F)ccc4s3)[nH]n2)C1 1814395342 OTLKAVBORJERAU-SFHVURJKSA-N 438.528 5.036 30 20 IKED Cc1csc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1815380394 HPMLMCDGKWTHST-JXFKEZNVSA-N 447.564 5.026 30 20 IKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)[nH]n1 1822397339 QCPNTJINPUFKCG-DEOSSOPVSA-N 440.547 5.186 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 1831376038 IKGBHJAQMLQGQL-CVDCTZTESA-N 443.031 5.204 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccccc2CC)cc1 10762859 JDHVHSWPPUMWLB-UHFFFAOYSA-O 441.979 5.942 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccc(F)cc1 14081664 ORRQZWREZVMTQE-UHFFFAOYSA-N 436.434 5.020 30 20 IKED Cc1nc(C)c(C#N)c(SCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)n1 25246577 FYDSXPLUFCIKRR-UHFFFAOYSA-N 440.981 5.501 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1cccc(Cl)c1Cl 32789332 VPVVCIJNCDCTAN-CQSZACIVSA-N 447.391 5.481 30 20 IKED N#C[C@H](C(=O)CSc1ncc(-c2ccc(F)cc2)o1)c1nc(-c2ccccc2)cs1 43751291 WXLFMDIPYCCUOF-QGZVFWFLSA-N 435.505 5.573 30 20 IKED Cc1ccc(Sc2ccc(C(=O)N(CCC#N)Cc3cccnc3)cc2[N+](=O)[O-])cc1 60625151 ZPWOHSCWQYUMEN-UHFFFAOYSA-N 432.505 5.006 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 60738415 CTEPMPGOYFPUMT-IBGZPJMESA-N 447.535 5.170 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 63403432 HSEQYXUKQWWUNH-UHFFFAOYSA-N 437.446 5.360 30 20 IKED Cc1ccc(C[C@@H](C#N)Sc2nnc(S[C@@H](C#N)Cc3ccc(C)cc3)s2)cc1 71798079 ACPZJGGMTCFIDQ-BGYRXZFFSA-N 436.631 5.609 30 20 IKED CCc1cc(C#N)c(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)s1 108399783 CRMNDYGKUKPGIW-UHFFFAOYSA-N 435.599 6.215 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1Sc1nc(C(F)F)nc2ccccc12 111192894 FPLBFCBHDGHLKE-UHFFFAOYSA-N 443.454 5.214 30 20 IKED C[C@@H]1C[C@@H](C)CN(Cc2ccc(CNCc3cn(CCC#N)nc3-c3ccccc3)cc2)C1 237602697 LQQFTGWFEHXFDR-DHIUTWEWSA-N 441.623 5.231 30 20 IKED N#Cc1ccccc1COc1cccc(CNCCCc2nc(-c3ccncc3)cs2)c1 237837819 TZQOKXDVMPUAHX-UHFFFAOYSA-N 440.572 5.378 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(OC)cc3)n2)nnc1-c1ccc(Cl)cc1 248175682 ABGGXDVYWUOJEP-UHFFFAOYSA-N 438.940 5.740 30 20 IKED CCOc1ccc2nc(SCC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)[nH]c2c1 248378418 JLSHIPFXQAZQPI-INIZCTEOSA-N 434.546 5.054 30 20 IKED Cc1ccc(Cc2cnc(NC(=O)c3occc3COc3cccc(C#N)c3)s2)cc1F 303101244 CFKYDJOZZUYWRH-UHFFFAOYSA-N 447.491 5.477 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(CC#N)C2CCCC2)c(OC)c1 303793478 VIKPCPNPAWXVDG-UHFFFAOYSA-N 431.536 5.079 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 428200434 QFBKVDYAHCPHIX-UHFFFAOYSA-N 448.486 5.083 30 20 IKED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)nc12 429586209 BFANIYMZMVVROF-INIZCTEOSA-N 447.838 5.110 30 20 IKED C[C@@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H]1OCCc2sccc21 431346822 ABSGUNRXEUGLQJ-MZNJEOGPSA-N 432.545 5.282 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@H](c1cccc(Cl)c1)C1CCCC1 433890831 ONXHZZFATYSVFI-NRFANRHFSA-N 441.984 5.332 30 20 IKED C=CCn1c(SCCC(C#N)(c2ccccc2)c2ccccc2)nnc1-c1ccncc1 434643549 RDAJYKMCHZRQRX-UHFFFAOYSA-N 437.572 5.518 30 20 IKED N#CCCCOc1cccc(CN2CCC(Nc3cccc(Br)c3)CC2)c1 435028580 JADYVZOAAUYWPW-UHFFFAOYSA-N 428.374 5.208 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1 435611241 REUYCZVCFVQHJT-XMMPIXPASA-N 434.561 5.490 30 20 IKED C[C@H](NC(=O)NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2cccc(C#N)c2)cc1 436350227 UIXIYOHOOAAYPJ-POCHDABASA-N 445.485 5.069 30 20 IKED C=CCC[C@@H](NC(=O)CCc1nnc(-c2ccccc2)o1)c1ccc(C(F)(F)F)cc1 441575891 PJGQLAKWKSKBMP-LJQANCHMSA-N 429.442 5.512 30 20 IKED Cc1nc(NS(=O)(=O)c2c(C)sc3ccc(Cl)cc23)sc1SCC#N 441818160 HYQCEPNOVGZBAS-UHFFFAOYSA-N 430.001 5.045 30 20 IKED CCCN(CCC)C(=O)c1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1 444036106 XIYBZSGOFQODPT-UHFFFAOYSA-N 430.552 5.460 30 20 IKED F[C@@H](Cc1ccccc1)c1nc(-c2ccc(C(F)(F)F)nc2OCC(F)(F)F)no1 445812035 VIOAXSSBILNWIK-LBPRGKRZSA-N 435.299 5.345 30 20 IKED CCOC(=O)c1csc(N(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C2CC2)n1 465462417 BNVPPQJUHJCULW-UHFFFAOYSA-N 447.516 5.101 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cncc(-c3ccc(Cl)cc3)c2)c1C 466230999 AUODOMBPFLAERJ-UHFFFAOYSA-N 427.895 5.329 30 20 IKED CN1[C@H]2CC[C@H]1CN(C(=O)Nc1ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c1)CC2 467723372 OATZFMPMVADGRI-OALUTQOASA-N 444.457 5.070 30 20 IKED COCCOc1c(Cl)cc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1Cl 469754837 ZLJLESZVXNMYER-UHFFFAOYSA-N 446.334 5.529 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)NC3(Cc4ccccc4)CCCCC3)ccc21 470538934 UHNGAWNTOXYBHT-UHFFFAOYSA-N 444.579 5.337 30 20 IKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470543621 XEWDFMDUFCBYHM-MRXNPFEDSA-N 447.564 5.104 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N[C@H](c3cccc(Cl)c3)c3ccccn3)o2)cc1 472282868 VLFNAFWTXIWUOH-XMMPIXPASA-N 443.890 5.298 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](c1ccc(C)cc1)c1ccccn1 473020979 BZHQRJQSSGFZMB-RUZDIDTESA-N 427.548 5.086 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3ccc4c(ccn4Cc4ccccc4)c3)CC2)cc1 473444022 WYKCUGCJCJVZKO-UHFFFAOYSA-N 435.527 5.245 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 473821873 ZBMHXTLGPAAVMR-AOMKIAJQSA-N 436.968 5.898 30 20 IKED C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)CCC(=O)N(CCC#N)c1ccccc1 474896489 ZSJDUQXFXDTVIX-OALUTQOASA-N 425.960 5.017 30 20 IKED COc1cccc([C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)c2cc(F)ccc2OC)c1 476249404 SAZVOWMUDAWRLW-XMMPIXPASA-N 432.495 5.163 30 20 IKED O=C(CCc1ncc(-c2ccccc2Cl)o1)NCC#Cc1ccc(C(F)(F)F)cc1 477299035 VCQJQJGYJVHXJQ-UHFFFAOYSA-N 432.829 5.114 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 477542719 NSSLYLBFFLCKIG-CABCVRRESA-N 432.952 5.274 30 20 IKED COc1ccc([C@@H]2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)C2)cc1 481571549 OOKUUDMUVDJKKL-OAQYLSRUSA-N 445.494 5.306 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 482370922 VZEHTXCKAFQOOB-GOSISDBHSA-N 441.375 5.578 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1nccc2ccccc12 483214928 YYWRMLCQZKLKDQ-HXUWFJFHSA-N 444.288 5.675 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N(C)CCC(F)(F)F 483725488 PBQWCFFADAHDGB-UHFFFAOYSA-N 425.476 5.049 30 20 IKED CCc1c(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cnn1C(CC)CC 484257500 GYUQXXPDZDNYCS-UHFFFAOYSA-N 445.523 5.048 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1nc(-c2ccccc2F)cs1 488329742 OZHVZGHBQPWIHX-AWEZNQCLSA-N 426.542 5.665 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCCCC1(C#N)CCOCC1 499964933 VHKCKROXPCPKSO-UHFFFAOYSA-N 446.469 5.746 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3ncc(Cc4ccc(F)c(F)c4)s3)CC2)cc1 503644474 RGALCEASDYBUBF-UHFFFAOYSA-N 436.487 5.205 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccc3c(c2)OCCO3)cc1Cl 503685176 NFZOKOZQSILJOT-NRFANRHFSA-N 447.922 5.131 30 20 IKED Cc1nc(CSc2ccc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)cc2)cs1 505975266 CMKYDTNPGHQQIT-LJQANCHMSA-N 448.400 6.045 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N[C@H](CC(F)(F)F)c3ccc(F)cc3)s2)cc1 507584634 PIELHBAGFANTIC-GOSISDBHSA-N 448.445 5.560 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC[C@@H]2C(=O)Nc3ccccc32)cc1Cl 510022560 FAOIWXFFJVLSCC-SFTDATJTSA-N 444.922 5.243 30 20 IKED Cc1nc(CN2CCC(Oc3ccc(C#N)cc3F)CC2)oc1-c1ccc(Cl)cc1 512826046 BKJSQDWMBUHEQY-UHFFFAOYSA-N 425.891 5.358 30 20 IKED Cn1c([C@H]2CCCCN2C(=O)c2cn(CCCC#N)c3ccccc23)nc2ccccc21 516386934 CWMAMGKGZZVZJI-XMMPIXPASA-N 425.536 5.199 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(-c4cccs4)nc3C)n2)cc1 516713777 JCGOGJWWINNEDE-HNNXBMFYSA-N 437.571 5.802 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCOc3ccccc32)cc1Cl 518721977 CUCOBOLPWBPOND-AVRDEDQJSA-N 431.923 5.683 30 20 IKED Cc1ccc(NC(=O)NC(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(C)c1 519065584 VIBDJSDDRNHJSV-SFHVURJKSA-N 428.492 5.116 30 20 IKED C[C@H](Nc1ccc(F)c(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 519275340 PUNVMKYBRXASBX-QMMMGPOBSA-N 439.287 5.211 30 20 IKED CCCCN(C(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[C@H](C)c1ccccc1 519788205 CRHUNNAZOIXISR-LJQANCHMSA-N 442.519 5.074 30 20 IKED COc1cc(Cl)ccc1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 521699906 MNFSJZUVQNOMRB-UHFFFAOYSA-N 435.911 5.315 30 20 IKED CCC(CC)CN(CCC#N)C(=O)c1csc(-c2ccc(Br)s2)n1 523150177 UFPFVOWSUVNKKR-UHFFFAOYSA-N 426.405 5.426 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCO[C@H](c2ccccc2C)C1 524700766 XFCLIMYCLQZXFU-SANMLTNESA-N 441.531 5.360 30 20 IKED COc1ccc(CNc2ccccc2CN(C)C(=O)c2cc3ccccc3o2)cc1C#N 533217202 YQNFYCHSUXFGKS-UHFFFAOYSA-N 425.488 5.197 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)[C@@H]2COc3ccccc32)cc1 533630357 LYEVCHNCOOFZQJ-KKSFZXQISA-N 429.476 5.045 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccn(-c4ccc(Cl)cc4)n3)n2)cc1 535313163 GWEDYFHCJCEYGR-SFHVURJKSA-N 434.908 5.148 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1Cl 536435269 ANLVYMMRBPBFLC-UGKGYDQZSA-N 435.955 5.093 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)N[C@H](C#N)c3cccc(Br)c3)c(C)c2c1 536551973 MJQDDAFVQZERDK-LJQANCHMSA-N 439.309 5.020 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C 537098679 QSNOVUHOZLHISB-HSZRJFAPSA-N 429.524 5.155 30 20 IKED CC[C@H](NC(=O)c1ccccc1Oc1ccccc1C#N)c1nc(C(F)(F)F)cs1 537558470 GEUFRDOUAADTFM-HNNXBMFYSA-N 431.439 5.707 30 20 IKED N#C[C@H](C(=O)c1cnc(Oc2ccccc2)cn1)c1nc(-c2c(F)cccc2F)cs1 538044070 UALABSXNPNCPNI-CQSZACIVSA-N 434.427 5.161 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1ccc(F)cc1)C1CCCC1 538212016 RAMJLHBQTPHHSU-MZNJEOGPSA-N 425.573 5.537 30 20 IKED Cc1ccnc(Oc2ccc(NC(=O)NCc3ccc(-c4ccccc4C#N)cc3)cc2)n1 539149818 YODSLHRWMAYAHK-UHFFFAOYSA-N 435.487 5.438 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)Nc2cccc(COCc3ccco3)c2)n1 542028689 VSIXWSFFBOZEGV-UHFFFAOYSA-N 447.882 5.351 30 20 IKED COc1ccccc1-c1nn(C)cc1C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542929000 ZTMDMVBJQOWKSV-SFHVURJKSA-N 436.515 5.125 30 20 IKED O=C(CC[C@H]1CCCO1)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 543084883 LPFKNBQXUIHHMH-OCCSQVGLSA-N 437.302 5.403 30 20 IKED CC(C)(C)c1ccc(C2(CNC(=O)N3CCC(C#N)(c4ccccn4)CC3)CCC2)cc1 548830805 XQECPUGURZPRAR-UHFFFAOYSA-N 430.596 5.068 30 20 IKED N#Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4CC[C@@H](c5ccccc5)N4C3=O)cc2Cl)cc1 552774329 HZQZYIUNYSQKDA-VXKWHMMOSA-N 443.890 5.676 30 20 IKED N#CCCN(C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccc(F)cc1 554283098 JNYUXGLEPIJBGJ-UHFFFAOYSA-N 429.373 5.592 30 20 IKED CC(C)OCc1cc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1O 558443833 BPYUCLHVLIXZPG-UHFFFAOYSA-N 445.519 5.606 30 20 IKED C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 570703132 KOQNWPKPYYWXJI-ONSXPEOJSA-N 449.407 5.373 30 20 IKED C=CCN(CCC#N)C(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 571782757 WZIBYIMTMCYYMJ-UHFFFAOYSA-N 435.427 5.307 30 20 IKED CCN(C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)[C@H](C)c1ccc(C#N)cc1 583089126 LMFAGERCTFDVJW-MRXNPFEDSA-N 425.960 5.097 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCCC[C@H]3c3ccc(F)cc3F)cc2)ccn1 589363422 NMHRZBZVMLNDKQ-QHCPKHFHSA-N 434.446 5.783 30 20 IKED Cc1ccc(-c2cc(C(=O)N[C@H](C#N)c3ccc(F)cc3)c3cnn(C(C)C)c3n2)s1 590639358 XAJUSBRNZMJIEG-HXUWFJFHSA-N 433.512 5.183 30 20 IKED O=C(c1ccc(-c2ccc(F)cc2)cc1F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 591956293 XVZRUWOOVMZJQF-OKILXGFUSA-N 437.330 5.835 30 20 IKED Cc1ccc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1OC(F)F 604099131 NZGNSALKMFFSKB-IAZYJMLFSA-N 434.327 5.627 30 20 IKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(C(F)(F)F)c1 608855542 HWEXVLLFUXOEHZ-SFHVURJKSA-N 437.849 5.073 30 20 IKED COc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c(Br)c1 608900671 OLXNGQTUWFVPLA-UHFFFAOYSA-N 439.334 5.733 30 20 IKED C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 609125479 VFASDANDCRDKJN-INIZCTEOSA-N 440.528 5.478 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CNC(C)(C)c1ccc(Br)cc1 609385376 YQISKQHRSCVLPM-OAHLLOKOSA-N 446.414 5.307 30 20 IKED COc1ccccc1[C@@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1 609398790 SDEUBRXEYFWVTO-KOSHJBKYSA-N 431.561 5.858 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 609402845 CTXPBDSYEOMUPA-UWJYYQICSA-N 443.016 5.550 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OC(C)C 609435553 XBLIAKDAQVGOPT-IRXDYDNUSA-N 427.570 5.759 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 609437070 OACMWVDXUDBDMY-LIRRHRJNSA-N 433.936 5.479 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)NC[C@H]3CCN(c4ccc(Cl)cc4)C3)c2)c1 609661051 LOAPMHHDIFGTAS-OAQYLSRUSA-N 445.950 5.047 30 20 IKED CC(C)c1nc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)nn1-c1cccc(F)c1 609784356 RETJEZQMVWQAHO-UHFFFAOYSA-N 431.496 5.382 30 20 IKED N#Cc1cc(N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)nc2ccccc12 609893537 VESBTDDBDSVNKD-UHFFFAOYSA-N 437.478 5.452 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)cc12 613290489 DWIGFPNATMUZQP-IBGZPJMESA-N 442.931 6.087 30 20 IKED N#C[C@H](C(=O)c1ccc(OCC(F)(F)F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 613405295 XDXOQNWXBWBWIX-CYBMUJFWSA-N 444.356 5.746 30 20 IKED CCCc1c(NC(=O)N2CCCC[C@@H]2c2ccccc2OC)cnn1-c1cccc(C#N)c1 615268819 UGLPIXYOCWTGIW-HSZRJFAPSA-N 443.551 5.464 30 20 IKED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 616094709 VXCFIUGPTWTDQY-ZEQRLZLVSA-N 432.365 5.667 30 20 IKED N#C[C@H](C(=O)c1ccc(Cl)c2ncccc12)c1nc2cc(C(F)(F)F)ccc2s1 670115935 MXCYFBQDFCNTFG-CYBMUJFWSA-N 431.826 6.007 30 20 IKED O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 677616560 KSLQTTKCJCSIBR-AWEZNQCLSA-N 442.306 5.215 30 20 IKED O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)C1(c2ccc(F)cc2F)CCOCC1 677663181 YKQHCIUMGWADDG-UHFFFAOYSA-N 435.339 5.306 30 20 IKED O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 679573351 QPHKSKZTQYYLIH-HTQZYQBOSA-N 426.691 5.146 30 20 IKED CSc1c(F)cc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F 680239256 FRQWLDVALHFTDR-BRPSZJMVSA-N 436.368 5.718 30 20 IKED O=C(N[C@@H]1CC[C@H](c2cccc(F)c2)C1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 684421878 ULEWNHOFEUFNAZ-RZLSGREXSA-N 426.376 5.234 30 20 IKED CC(=O)Nc1ccc(-c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)cc1F 685235990 FNFLWJMPQDBQRS-UHFFFAOYSA-N 433.283 5.539 30 20 IKED C=CCOc1ccc(/C=C(/Cl)c2nc(O)c3cc(OC)c(OC)cc3n2)cc1Cl 727264892 ZHBNZQBXPOFOBJ-OQLLNIDSSA-N 433.291 5.308 30 20 IKED Cc1cc(CON=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)no1 727411838 QTWWJQOHJLPTRL-UHFFFAOYSA-N 428.488 5.692 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N(Cc2ccccn2)Cc2ccccc2C)cc1OC 729250691 HMWSOJSNWMJLCP-SQFISAMPSA-N 428.532 5.206 30 20 IKED Cn1c([C@H](C#N)C(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)nc2ccccc21 730686471 PLSIVAQIIAHSIW-UZUQRXQVSA-N 433.870 5.362 30 20 IKED CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3S[C@H](C)CC#N)ccc12 730952236 NKGKMKKJIOFYCY-MRXNPFEDSA-N 436.533 5.157 30 20 IKED COc1ccc(N2CCCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)cc1 731399820 GBFNCZWGJHZBEM-UHFFFAOYSA-N 442.519 5.103 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC[C@H](O)c3cc(Cl)cc(Cl)c3)cc2)cc1 735699517 BAHHGVICOVMJET-QFIPXVFZSA-N 441.314 5.315 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)c3ccc(Br)s3)n2)cc1 744032688 WBSNMCKKEAKATI-TZMCWYRMSA-N 431.380 5.923 30 20 IKED COc1ccc2cc(/C=C/C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)ccc2c1 746259370 UEVHBFNZOFYIAK-XYOKQWHBSA-N 438.483 5.156 30 20 IKED COc1cc(/C=C\C(=O)c2cnn(C(C)C)c2)ccc1OCCOc1ccccc1Cl 746686451 DVIPXCXAKLTJHN-NTMALXAHSA-N 440.927 5.480 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc(C)c([N+](=O)[O-])c1)C(=O)c1ccccc1 747151135 YIWNZZPOMNJQFC-KQWNVCNZSA-N 442.515 5.933 30 20 IKED C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 748535916 QVLWLCSUKQFXOI-IBVKSMDESA-N 439.563 5.084 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H]3C[C@@H](O)c3cccs3)c2)cc1 751000938 XRQIYCRABKVURC-SIKLNZKXSA-N 433.533 5.532 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCCCc2ccc(Cl)c(Cl)c2)cc1OC 753534016 RFARDWBBOCAYNL-MRXNPFEDSA-N 449.334 5.071 30 20 IKED CCN(C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1ccc(C#N)c(Cl)c1 755372928 RSNYQODELCONEV-QHCPKHFHSA-N 430.891 5.333 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2Cn2cnc3ccccc32)cc1 756302739 PDMNUBZUIWQHRP-ZEQRLZLVSA-N 435.531 5.388 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(C3CC(F)(F)C3)C2=O)c1 757885417 JPGZTRIWEXLXNW-IBGZPJMESA-N 443.519 5.061 30 20 IKED C=CCn1c(SC[C@@H]2CN=C(c3ccc(OC)cc3)S2)nnc1-c1ccccc1C 768412051 RZEBVAHPTSOBGG-IBGZPJMESA-N 436.606 5.102 30 20 IKED CC(C)(C)c1ccc(N2CCC(NC3CCN(Cc4ccc(C#N)cc4)CC3)CC2)cc1 776156740 MFTQJHMISHMALC-UHFFFAOYSA-N 430.640 5.079 30 20 IKED CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H](NC3(c4cccc(C#N)c4)CC3)c3ccccc3O2)C1 777251152 GXURPRFSCHBOAH-GJZUVCINSA-N 445.563 5.040 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 787433299 KELIMNMSDMYYQR-GAJHUEQPSA-N 431.923 5.962 30 20 IKED Cc1cc([C@H](CC(=O)O[C@@H](C)c2ccc(C#N)cc2)NC(=O)OC(C)(C)C)cc(Cl)n1 788373870 YNGLKEFTZPMDCA-KXBFYZLASA-N 443.931 5.175 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)/C=C/c1cc(Br)c(O)c(OC)c1 789887374 CMKWZQIEDSBBMN-ZHACJKMWSA-N 430.342 5.667 30 20 IKED N#C[C@@H](C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1nccc2ccccc12 792095926 YIURXCGUFSSUPM-QHCPKHFHSA-N 440.886 5.374 30 20 IKED CCN(CC)[C@H](C(=O)[C@H](C#N)c1nccc2ccccc12)c1cccc(C(F)(F)F)c1 792106636 SIBSWWVZEMCJAS-IRLDBZIGSA-N 425.454 5.513 30 20 IKED COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OC(=O)c1ccc(C#N)o1 796741172 PRJHMJFFEGNZKC-UHFFFAOYSA-N 426.428 5.093 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccsc2)N(C[C@H]2CCC(F)(F)C2)C1=O)Nc1ccccc1 797427232 FLKULZKSNMIIEO-YOEHRIQHSA-N 449.548 5.144 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)s1 797569238 OYNIEEAQFUSCLO-GFCCVEGCSA-N 437.512 5.878 30 20 IKED Cc1nc(SC(F)(F)F)sc1CC(=O)Nc1ccc(F)cc1OCC(F)(F)F 798293092 HYAJDOAYKQIXGT-UHFFFAOYSA-N 448.385 5.325 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)c3ccc(C(F)(F)F)cc3)n2)cc1 798819900 NDAAYRMFXZKTFD-FZKQIMNGSA-N 430.451 5.817 30 20 IKED N#C[C@@H](C(=O)[C@H]1CCN(c2ccccc2F)C1)c1nc(-c2ccc(Cl)cc2)cs1 810533483 ZOFSDTVYRNUECR-RDJZCZTQSA-N 425.916 5.305 30 20 IKED C[C@@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)C(=O)NC1(C#N)CCCCC1 819924506 ILWZOFBNNLYZPS-GFCCVEGCSA-N 439.031 5.140 30 20 IKED N#Cc1ccccc1-c1ccc(COC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)cc1 875289096 YBBQCAQBSPZXCN-QFIPXVFZSA-N 430.529 5.025 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1nc2ccccc2o1 915103361 UEJOSKLPEZWGBI-OAHLLOKOSA-N 427.407 5.389 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)cc1OC 916084310 QIUDYBMXODBQNI-NTCAYCPXSA-N 442.515 5.473 30 20 IKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C(C)C)cc3)N(C3CC3)C2=O)cc1 916207148 VSJVDHYLWQPEEN-JOCHJYFZSA-N 449.576 5.135 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(F)ccc2Br)cc1 916707895 AIMVJVUPZNAPCE-HXUWFJFHSA-N 438.300 5.565 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(COc2ccc(F)cc2)o1 916926985 BKSLRABBCGYLCN-MRXNPFEDSA-N 447.249 5.266 30 20 IKED N#C[C@@H](C(=O)CCCOc1ccc(Cl)cc1Cl)c1nc2ccccc2n1C(F)F 917040531 LHKJXLVWNVEFSE-ZDUSSCGKSA-N 438.261 5.774 30 20 IKED COc1cc(C=NN2C(=O)c3cccc4cccc(c34)C2=O)ccc1OCc1cccs1 917571418 HTAHKLBKDQZNFO-UHFFFAOYSA-N 442.496 5.119 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc3sccc3s2)n(Cc2ccccc2)c1C 919627780 IKNCSZVVFPKPQP-UHFFFAOYSA-N 449.557 5.097 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 920109294 CQZRMCZKSWOKHF-LJQANCHMSA-N 448.404 5.005 30 20 IKED N#C[C@H](C(=O)c1ccc(OC2CCCC2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 1523822538 CRPAFJKGNRBRJX-GOSISDBHSA-N 433.533 5.087 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccnc(C(C)(C)C)c3)cc2)CCC1 1787036814 OSCBICAIVJPIQR-UHFFFAOYSA-N 449.595 5.110 30 20 IKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc5occc5c4)cc3)CCC2)cc1 1789047876 RVFNGWKQAAGQCI-UHFFFAOYSA-N 449.510 5.295 30 20 IKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCC[C@@H]5CCCC[C@H]54)cc3)CCC2)c1 1789192000 RMKCJPSCEVEJQY-WWPVKYPJSA-N 444.579 5.241 30 20 IKED Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)S)CCC3)cc2)cc1 1790692151 LINQHUIWOZZYEM-IBGZPJMESA-N 447.604 5.160 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)/C(C)=C/c3ccc(OC)cc3)cc2)CCC1 1791122971 UAROKRNPDDQZKW-FMQUCBEESA-N 430.548 5.036 30 20 IKED Cc1ccc(-c2ncccc2C(=O)NC2(c3ccc(NC(=O)[C@H](C)S)cc3)CCC2)cc1 1791574524 MDVBIXBLEURALW-SFHVURJKSA-N 445.588 5.123 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cc(Cl)ccc3F)C2)CC1 1805137074 SJGWJHDIOSGRSE-UHFFFAOYSA-N 434.983 5.316 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2csc(C)c2C)[nH]n1 1819304622 GUNQOIDYVUMZNX-XLIONFOSSA-N 426.586 5.162 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)[nH]n1 1821920584 IUPFHDHSUNRGCH-KBXCAEBGSA-N 440.544 5.282 30 20 IKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(Cc3cccc(F)c3)c2)[nH]n1 1822405460 PFYSMVSZBVJEGV-HSZRJFAPSA-N 446.526 5.022 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(Cl)s2)CC1 1829402333 UPDCZWMXSCOJCN-KRWDZBQOSA-N 438.037 5.022 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC=CCC2)CC1 1830281436 AIBLEHJBDAWQPI-ZEQRLZLVSA-N 442.720 5.014 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 1831783746 NCEGJSWVBGSDGJ-NXCFDTQHSA-N 434.624 5.178 30 20 IKED C=CCn1c(SCc2nc(-c3ccc(OC)cc3)no2)nnc1-c1ccc(Cl)cc1 21333709 NHFAWSDEEMXQQZ-UHFFFAOYSA-N 439.928 5.135 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccccc2Cl)cc1 22730415 JMLJDYFXEROZLP-UHFFFAOYSA-O 430.018 6.001 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 26638110 RIALVRAPOIXBAE-HXUWFJFHSA-N 441.556 5.200 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3ccccc3OCc3ccncc3)c2)c1 32291042 JPQJVZFUZIOFLI-UHFFFAOYSA-N 435.483 5.364 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1cccc2ccccc12 61880571 SNGDYGQJXTWGSZ-LJQANCHMSA-N 449.510 5.106 30 20 IKED C=CCN(Cc1ccccc1)C(=O)/C=C\c1ccc(OCc2c(C)noc2C)c(OC)c1 209517806 ZZBVBQPPZBCRTO-OWBHPGMISA-N 432.520 5.107 30 20 IKED N#CCSc1cccc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)c1 430738333 KRICSAKACUMBCO-UHFFFAOYSA-N 447.413 5.900 30 20 IKED C=CCN(CCC#N)C(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C 432762977 MGWDFTYPVYBEDU-UHFFFAOYSA-N 430.430 5.200 30 20 IKED CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)N(C)CC(C)(C)C#N)ccc1Cl 432918027 NIUFFNFCZXETEV-UHFFFAOYSA-N 426.948 5.016 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCSc1ccnc2cc(Cl)ccc12 434012196 NPWNZKDONGQUSU-OAHLLOKOSA-N 442.009 6.403 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1ccc(OC(C)C)c(C#N)c1 435435738 BWRJXPVUPUVHDF-UHFFFAOYSA-N 437.496 5.359 30 20 IKED O=C(NCCSCC(F)(F)F)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 436328257 ILCKIEYDNWXHOI-NSHDSACASA-N 442.347 5.294 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 436340186 RICRMWVGLVVKBD-UPVQGACJSA-N 440.503 5.119 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1c(F)cccc1F)C1CCCC1 438071772 HSOTVKQWMJPULU-INIZCTEOSA-N 429.536 6.193 30 20 IKED CCCc1c(NC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cnn1-c1cccc(C#N)c1 439238433 PHIYTCXDTAYECQ-UHFFFAOYSA-N 444.539 5.325 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3cccc(C(F)F)c3Cl)c2)cc1 439396034 KNZLPPNHYYGOSM-UHFFFAOYSA-N 441.821 5.519 30 20 IKED N#CCC[C@H](NC(=O)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 439451849 ZCQFOYMKRYXPIK-QHCPKHFHSA-N 447.922 5.019 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC(CC(=O)OCC)CC1)c1ccc(C(F)(F)F)cc1 442306910 PFEMUYQJMPVZTG-LJQANCHMSA-N 426.479 5.088 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3nc(C(C)C)n(-c4ccccc4F)n3)n2)cc1 442670402 FHHVVUDTBQQXJP-KRWDZBQOSA-N 445.523 5.452 30 20 IKED Cc1csc(-c2cccc(S(=O)(=O)Nc3ccccc3SC[C@@H](C)C#N)c2)n1 443416210 SOZUWQIMUSYLTE-AWEZNQCLSA-N 429.592 5.171 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1cccc(C(C)(F)F)c1)c1ccc(-c2cccc(C#N)c2)cc1 445135620 LMUAVBIVKKSJST-MRXNPFEDSA-N 433.458 5.153 30 20 IKED COc1ccc([C@@H]2CCCCCN2C(=O)CNc2ccccc2SC[C@@H](C)C#N)cc1 446621431 AWUSCSQUMAEFQJ-CVDCTZTESA-N 437.609 5.503 30 20 IKED CC(C)(C)C(=O)Nc1nccnc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 463392326 CLNNPLDXJVZHCG-SFHVURJKSA-N 447.926 5.022 30 20 IKED N#C[C@@H](C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1cc(C(F)(F)F)ccn1 464412076 QOIOGIBEIRMCTP-LJQANCHMSA-N 432.405 5.443 30 20 IKED Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2ccccc2Sc2ccccc2C#N)cc1 464893590 LTDUBLNTRILLJY-BKMJKUGQSA-N 442.584 5.916 30 20 IKED CN1CCC[C@H](CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)[C@@H]1c1cccs1 466097593 HNJRTFJPEIWKIJ-NTKDMRAZSA-N 446.576 5.617 30 20 IKED COCc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)o1 467162147 YPXGVIKPIQOVDT-OAQYLSRUSA-N 447.491 5.468 30 20 IKED C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(Br)s1 468171813 YJGSNVRTWONUTH-GFCCVEGCSA-N 431.311 5.045 30 20 IKED N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1 470741700 ZWNJWGVQZCIPIS-MRXNPFEDSA-N 441.343 5.233 30 20 IKED COC(=O)c1nc([C@@H]2CCCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)sc1C 471271694 CRDQYTFCXKQTCL-CJNGLKHVSA-N 444.582 5.001 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@]3(C2)OCc2ccccc23)cc1Cl 473675032 JYSWFVLZTDVFDS-NVQXNPDNSA-N 443.934 5.659 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 474527932 YSXJOJNJYYYBNJ-JOCHJYFZSA-N 436.899 5.130 30 20 IKED O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCC#Cc1ccc(C(F)(F)F)cc1 477283569 CYNWQGRYXSUHGI-UHFFFAOYSA-N 432.829 5.114 30 20 IKED C[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1ccc2c(c1)CCC(=O)N2 479516461 LJOXCPPCPDQXCJ-INIZCTEOSA-N 427.529 5.085 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ncc(-c2ccccc2F)o1 481373157 MVQUGOLVISXEGL-UHFFFAOYSA-N 436.512 5.438 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CC3(CCOCC3)c3ccccc32)cc1 481457805 YABRUBLIKRWKMQ-UHFFFAOYSA-N 440.568 5.559 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NCc3ccc(NC(=O)c4ccco4)cc3)c2)cc1 482036767 GUPXLSIBHPDUAO-UHFFFAOYSA-N 437.455 5.126 30 20 IKED CN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 482370785 IVXRXFFMPRKZTH-HNNXBMFYSA-N 426.307 5.429 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)N[C@H](c3cccc4ccccc34)C(F)(F)F)CCO2)c1 482399618 BXGJAXBXJXHCOA-FGZHOGPDSA-N 439.437 5.098 30 20 IKED C=CCN(CC1CCCCC1)C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 482824945 HKNFCVPSBLAXQH-UHFFFAOYSA-N 426.870 5.148 30 20 IKED N#C[C@@H](C(=O)c1ccc(COC(F)(F)F)cc1)c1nc(-c2ccc(Cl)cc2)cs1 483466306 WHAAWFFDTPZACA-INIZCTEOSA-N 436.842 5.990 30 20 IKED CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 483639794 CHWMCXRNWSVTDD-UHFFFAOYSA-N 447.922 5.737 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C 484595242 ZLGBFEZUHOLKIH-KRWDZBQOSA-N 425.554 5.053 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)c1 487134461 ZRMZNMBLUSKDEG-UHFFFAOYSA-N 447.397 5.448 30 20 IKED Cc1nn(-c2ccc(Br)cc2)cc1C(=O)[C@H](C#N)c1nc2ccccc2s1 490722970 OVKLVLMIFBGVPJ-HNNXBMFYSA-N 437.322 5.043 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)c1cccs1 493573853 QWIMMZRPWRSAQU-PXNSSMCTSA-N 449.601 5.181 30 20 IKED CCCN(CC(=O)Nc1cccc(CSc2ccccn2)c1)Cc1ccc(C#N)cc1 496221354 HZOHDXCYGFSOGB-UHFFFAOYSA-N 430.577 5.096 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCC(=O)c1ccc(Br)cc1 499528652 JUAGANYPSZWUJB-NHCUHLMSSA-N 439.353 5.100 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(OC4CCCC4)CC3)c2)cc1 506662888 OQVROHPIPDZULB-UHFFFAOYSA-N 433.552 5.287 30 20 IKED N#Cc1ccccc1CSCCNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 510525951 XQKYQIVAUWLVEU-UHFFFAOYSA-N 428.517 5.277 30 20 IKED CC(C)c1ccc(CN(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 511494883 BEPAHIWOPYSDRN-UHFFFAOYSA-N 426.520 5.598 30 20 IKED C=C(C)CN(Cc1csc(-c2ccc(Br)cc2)n1)Cc1ccc(CO)o1 512148307 NPGLMNXYBPMQEA-UHFFFAOYSA-N 433.371 5.236 30 20 IKED Cc1ccc(-n2ncc(C(=O)NCc3ccc(F)cc3C(F)(F)F)c2C(F)(F)F)cc1 514174241 LAGOBKATZILCPI-UHFFFAOYSA-N 445.338 5.287 30 20 IKED Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cc2)n1 514424669 KJFZVZYGNUEKKM-UHFFFAOYSA-N 437.503 5.038 30 20 IKED CCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccc(C#N)c(C)n3)sc2c1 516069424 NAFCKDNGCMVDHH-UHFFFAOYSA-N 428.517 5.117 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cnn1-c1cccc(Cl)c1 516714074 OPNWHBXPEMNSCE-LJQANCHMSA-N 443.919 5.319 30 20 IKED CCC(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 520473720 PIAUBUWAGGKLBL-UHFFFAOYSA-N 428.492 5.329 30 20 IKED CC(C)[C@H](C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)S(=O)(=O)C1CCCCC1 520534707 UZUXAURPYUQKCE-HSZRJFAPSA-N 440.565 5.061 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCCc2cnn(-c3ccccc3)c2)c1 522586094 BSMXLDGFKDHLFS-UHFFFAOYSA-N 442.906 5.162 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2F)cc1 522605532 HGFDQXAZENRDHR-REWPJTCUSA-N 435.449 5.243 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc(-c3cc(O)n[nH]3)cc2)c1 522630837 BVQGCYJRHMFSTP-UHFFFAOYSA-N 430.851 5.352 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccccc2OC(F)F)cc1 523800012 DSOVFACECPBRQN-UHFFFAOYSA-N 439.437 5.211 30 20 IKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cccc(CSCc2ccccc2)c1 523910440 MXAJBDNYWCDBCY-UHFFFAOYSA-N 436.602 5.335 30 20 IKED CC(C)(C)CC(=O)Nc1ccc(CC(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cc1 525576184 QSMUMYDHLMPEOS-GOSISDBHSA-N 432.351 5.292 30 20 IKED C=CCC[C@H](NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1)c1ccccc1 533152292 PVASETDDGJBSMW-FQEVSTJZSA-N 441.959 5.113 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@](C)(C#N)CCc4ccccc4)cc3)o2)c1 533503985 LTGCXBRKTSIBAE-MHZLTWQESA-N 436.515 5.357 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@H](C)c2ccc(-c3ccncc3)cc2)n(C2CCCC2)c1C 539339023 ATKPZJQGGKEIPZ-LJQANCHMSA-N 441.579 5.443 30 20 IKED FC(F)(F)c1cc([C@@H](NCc2nc(C3CC3)cs2)C(F)(F)F)cc(C(F)(F)F)c1 542255684 LASZBXMUAOZSIN-CQSZACIVSA-N 448.354 6.451 30 20 IKED N#Cc1ccc(C(=O)Nc2c(Br)cc(F)cc2Br)cc1Cl 548616690 DTLJGKDFDPCHQP-UHFFFAOYSA-N 432.474 5.128 30 20 IKED C=C(C)Cn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N1CCC(C)(C#N)CC1 549692440 SJGPHADGMQEGJS-UHFFFAOYSA-N 438.535 5.459 30 20 IKED Cc1ccc([N+](=O)[O-])cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 553711091 HSKOMCRXFLDRDG-OAHLLOKOSA-N 432.288 5.824 30 20 IKED COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)c2ccc(C4(C#N)CC4)cc2)CCC3)cc1 554195115 VKLYXOJLTIQYQJ-FQEVSTJZSA-N 429.545 5.181 30 20 IKED CN1[C@H]2CC[C@H]1CC([C@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1ccc(Cl)cc1)C2 554995299 XVGABPQNYDBQGJ-IQMDFIRISA-N 435.999 5.458 30 20 IKED Cc1ccc(-c2nc(CCNC(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)co2)cc1 571453964 MPXJAHMOMORAJE-UHFFFAOYSA-N 439.475 5.073 30 20 IKED N#Cc1cnn2cc(CN[C@@H](Cc3ccc(Cl)cc3Cl)c3ccc(F)cc3)cnc12 573032959 JIOHDQSTSKXADY-NRFANRHFSA-N 440.309 5.120 30 20 IKED C=CCc1cc(CNC(=O)Nc2cccc(CSc3ccccn3)c2)cc(OC)c1OC 591508783 NLNIXXGBNZZZFJ-UHFFFAOYSA-N 449.576 5.441 30 20 IKED C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccc(C(C)(C)C#N)cc1)OCCO3 603656307 IUTHHSKDLFMYIS-GOSISDBHSA-N 445.563 5.679 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccc4cccnc34)s2)c(C(F)(F)F)c1 603757654 FVMGNORCBFQLDD-UHFFFAOYSA-N 438.434 5.425 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H](c4cc5ccccc5[nH]4)C3)s2)cc1 603827802 GWQLYZHNDCMAFP-FQEVSTJZSA-N 441.560 5.498 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3cc(C#N)cn3C(C)(C)C)cc12 603934602 ORYVMQZOZWVHSH-UHFFFAOYSA-N 435.528 5.274 30 20 IKED COC(=O)c1sc2cccc(F)c2c1CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604276490 LRUHHJSYPAKECG-NXEZZACHSA-N 443.384 5.390 30 20 IKED CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 608739197 CDGOMZDSRDPMII-IJEWVQPXSA-N 428.392 5.165 30 20 IKED CC1CCC(C#N)(N(C)C(=O)[C@H](C)Sc2nnc(-c3ccc(C(C)C)cc3)o2)CC1 608930116 LBAAFSIGGMZCRF-BNGSBABLSA-N 426.586 5.271 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3cnn(-c4ccccc4)c3)cc2Cl)c1 609062932 KXBQYECHRSLBRA-UHFFFAOYSA-N 442.906 5.158 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 609078405 OREQGDYWUSGPMF-LJQANCHMSA-N 429.520 5.727 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NCC3CCN(Cc4cccs4)CC3)c2)cc1 609209601 DJCGGSKUNNTTNO-UHFFFAOYSA-N 446.576 5.446 30 20 IKED N#CCn1c(C(=O)N(Cc2ccc(F)cc2)c2nc3ccccc3s2)cc2ccccc21 609216869 UVKUAXUVXTYPLA-UHFFFAOYSA-N 440.503 5.761 30 20 IKED Cc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C)c1 609370947 LFZOMSWULRUNTR-SFHVURJKSA-N 436.606 5.614 30 20 IKED C[C@@](CC(=O)O)(C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)C1CCCCC1 609387691 FXKZBOOMDDJEEP-FQEVSTJZSA-N 442.503 5.711 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2cccc3ccccc23)CC1 609438530 JGGQAMHDJAPLSP-LJQANCHMSA-N 429.589 6.646 30 20 IKED C=CCOc1ccccc1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 609544520 ZPAZZKMREYWZMY-UHFFFAOYSA-N 443.297 5.472 30 20 IKED CCc1c(-c2ccncc2)n[nH]c1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 609731302 AHGLETLCXAVPNF-UHFFFAOYSA-N 443.894 5.604 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N(Cc2ccncc2)C[C@H]2CCCO2)c1 609736620 PQGGRRYCKBXSNH-HSZRJFAPSA-N 447.922 5.220 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccccc3OC3CCC3)c2)cc1 609826745 WDXFRPXLORPUOA-UHFFFAOYSA-N 441.531 5.585 30 20 IKED C[C@H](CCC(C)(C)C)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609948135 BTZCRRZWKYGRSI-UZLBHIALSA-N 425.960 5.265 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(O)nc4cc(F)ccc34)cc2Cl)c1 610047551 DZWIUDQSKLVRJE-UHFFFAOYSA-N 447.853 5.436 30 20 IKED Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N[C@@H](C)c2cccc(C#N)c2)c1C 611389648 VCTAYSKKLGUQEZ-HNNXBMFYSA-N 438.329 5.006 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1CC=C 613391265 BVYARGWRZMEQSG-MRXNPFEDSA-N 442.585 5.027 30 20 IKED N#Cc1ccc(CNC(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)cc1Cl 619802119 PCCMGXDURCJLMK-UHFFFAOYSA-N 448.697 5.422 30 20 IKED N#C[C@H](C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1nc2ccccc2n1C(F)F 642282400 OPYAFWCUQBFMSO-GOSISDBHSA-N 448.404 5.313 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)c1C(F)F 683225323 ICUVKVQUSZRTRK-UHFFFAOYSA-N 443.338 5.952 30 20 IKED C#Cc1cccc(N2C(=O)/C(=C/c3csc(-c4cccc(OC)c4)n3)SC2=S)c1 726627277 POXHATMLQIIVEJ-UNOMPAQXSA-N 434.567 5.206 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 726940364 HDLCVXWPZHHSGT-GOSISDBHSA-N 444.362 5.101 30 20 IKED N#C[C@@H](C(=O)[C@@H](OC1CCCC1)c1ccccc1)c1nc(-c2c(F)cccc2F)cs1 727050821 ITPVOCGEKUBWJF-SBUREZEXSA-N 438.499 5.965 30 20 IKED O=C1/C(=C/c2ccc3ncccc3c2)CN(CC2CC2)C/C1=C\c1ccc2ncccc2c1 727267255 RGAXKINZNAGINU-RYQLWAFASA-N 431.539 5.545 30 20 IKED C=CCc1cc(/C=C/C(=O)c2ccc(OC(F)F)cc2OC(F)F)cc(OC)c1O 728156075 AIXPMAPONYNHHQ-VMPITWQZSA-N 426.362 5.228 30 20 IKED CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 728391303 UKXWHFPJGZJPIY-VWLOTQADSA-N 440.547 5.098 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)OCC(=O)Nc3c(Cl)cccc3Cl)c2)cc1 728668542 XRPZIZKANAKIMY-UHFFFAOYSA-N 441.270 5.453 30 20 IKED C[C@H](C#N)Oc1ccc(/C=C(\Cl)c2nc(O)c3c(-c4ccccc4)csc3n2)cc1 728696085 MERXSCXKWREDHT-AXLWCPOOSA-N 433.920 6.092 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)cc1 730396079 LWTUFSQOCDVKRS-SFHVURJKSA-N 440.471 5.540 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2sccc2SC(F)F)cc1Cl 730477153 JFDHWZVGXMZOCJ-HNNXBMFYSA-N 434.920 6.624 30 20 IKED N#C[C@@H](C(=O)CCc1nc2cc(Cl)ccc2s1)c1nc2cc(Cl)ccc2s1 730690864 YOXAFKVYPCGTIR-LBPRGKRZSA-N 432.357 6.022 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccccc1SC[C@H](C)C#N 730990504 YAJYFXMCIIUTHF-CQSZACIVSA-N 442.947 5.536 30 20 IKED Cc1ccc(-n2nc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)c3c2CCCC3)cc1 731137085 ZVPOPXXTQPESIP-QHCPKHFHSA-N 448.526 5.174 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(C2CC2)C(=S)N[C@H]1c1csc(C2CC2)n1 731432293 GGIHINLZAQIZKQ-SFHVURJKSA-N 429.998 5.068 30 20 IKED CN(C)c1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)Nc2ccc(C#N)cn2)cc1 731988657 ACJZNEPWAKPXGQ-HKWRFOASSA-N 445.526 5.307 30 20 IKED Cc1ccc(-c2nnc(COC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)o2)cc1 732380020 NFZDKMZPEXDBBJ-UHFFFAOYSA-N 425.444 5.260 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cccc(COc2cccc(F)c2)c1 734079016 JDRCTRRACUICLC-QFIPXVFZSA-N 426.447 5.400 30 20 IKED CCO[C@H](C)c1nc(CON=C(C)c2ccc(OCc3ccc(F)cc3)cc2)cs1 736609603 AGCQUJCWZRUBJI-QGZVFWFLSA-N 428.529 5.900 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCC([C@@H](O)c4ccc(F)cc4)CC3)c2)s1 740059206 HXOIVTKOJHMOHE-DEOSSOPVSA-N 449.551 5.081 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 742963671 UBXRDJGSCGZIRV-UHFFFAOYSA-N 426.407 5.306 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=S)Nc2ccc(OC(F)F)cc2)cc1F 743037634 SGOBMHYNHFGNOP-UHFFFAOYSA-N 429.423 5.900 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)N1CCSc2ccccc21 743475855 YZSBVVPUTUSXPC-KRWDZBQOSA-N 447.535 5.216 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccc(F)cc2F)C2CCCC2)c1 745821948 VZWAMRUFYPJKAT-OAQYLSRUSA-N 427.495 5.300 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@@H]3C[C@@H](O)c3ccc(F)cc3)c2)cc1 746248750 FWDUFHLKALSJHT-AOYPEHQESA-N 444.506 5.005 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C\c2ccc3ncccc3c2)C(=O)c2ccccc2)c(Cl)c1 747155299 VFIKGHDHVCTPAL-JWGURIENSA-N 440.930 6.410 30 20 IKED Cc1ccc(C)c(-n2nc(C)c(/C=C\C(=O)c3ccc(N4CCOC4=O)cc3)c2Cl)c1 748583913 LTDNZARUCCHNNQ-KHPPLWFESA-N 435.911 5.304 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(c3cccc(F)c3)CC2)cc1 752647817 GQCFGSNORUCBKW-UHFFFAOYSA-N 443.522 5.882 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1 754393832 HRXPAAPCCRQOBG-TZIWHRDSSA-N 434.586 5.499 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC[C@@H](O)c1ccc(C#N)cc1 754951607 AJORQFSZWXPGGV-BFUOFWGJSA-N 442.382 5.137 30 20 IKED Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 756069493 BSDMJEMZBIGAHK-INIZCTEOSA-N 438.622 6.078 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)O[C@@H](C)c2nc(O)c3ccccc3n2)cc1 757149770 HGILVFFOCXPIFO-INIZCTEOSA-N 425.444 5.226 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1 757293687 ITLJBENHWFGPPU-QFIPXVFZSA-N 433.467 5.654 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cccc(-c2c(F)cccc2F)c1 757411361 VLWAFRBEMZSXEO-HXUWFJFHSA-N 432.470 5.718 30 20 IKED C[C@@H](OC(=O)Cc1cccc(OCC#N)c1)c1ncc(-c2ccc(Cl)cc2Cl)o1 760639013 QOKLCVBYTCKRGK-CYBMUJFWSA-N 431.275 5.398 30 20 IKED N#CC1(c2ccccc2)CCC(NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 768404628 WJLAYDJLAZYQTQ-UHFFFAOYSA-N 425.523 5.251 30 20 IKED Cc1ccc(Cc2nc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cs2)cc1 768818174 WLTUUPNRZGRVSY-UHFFFAOYSA-N 447.347 5.370 30 20 IKED N#C[C@H](COC(=O)c1oc2ccccc2c1CSc1ncccn1)Cc1cccs1 772739210 YRYLTPHYHCMDSX-OAHLLOKOSA-N 435.530 5.116 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2cccc(OCc3cn4ccccc4n3)c2)c1 772984219 NQPFBYLSNHIWLZ-HYBUGGRVSA-N 440.547 5.445 30 20 IKED C[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1ccc(Oc2ccccc2)cc1 775331749 KJIZPWPJGBJXPF-WZONZLPQSA-N 434.499 5.367 30 20 IKED C#CC[C@@H](NCc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1)c1ccccc1 775399704 TVQJLFDEHQGGTQ-JOCHJYFZSA-N 437.996 5.952 30 20 IKED O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)O[C@H]([C@@H]1CCOC1)C(F)(F)F 778040489 NWFOBUNKKCHGHN-XWHYSYHUSA-N 436.270 5.248 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](c3c(F)cccc3Cl)N(C)C)n2)cc1 778606365 MTDQMVDLWRIKHP-FOIQADDNSA-N 427.932 5.390 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N(Cc1cc(Br)ccc1F)C1CC1 780682782 XZLKDRFRUMZLLG-ZDUSSCGKSA-N 432.293 5.076 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 782946269 NZZRMLQCIALAIZ-NRFANRHFSA-N 449.963 5.210 30 20 IKED C[C@@H](OC(=O)c1cccc(OCc2ccccc2C#N)c1)c1nnc(-c2ccc(F)cc2)o1 783146620 DGPIRGSKUQRMRD-MRXNPFEDSA-N 443.434 5.244 30 20 IKED CCCc1c(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cnn1-c1cccc(C#N)c1 783954105 SFBLILQMBGDXPM-UHFFFAOYSA-N 445.470 5.404 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccnc(Oc2ccc(F)cc2F)c1 789404243 QXNBJLWDNDPTIR-IBGZPJMESA-N 449.457 5.238 30 20 IKED O=C(C[C@H]1SC(=Nc2ccsc2)N(Cc2cccs2)C1=O)Nc1ccccc1F 790735308 DAHUBEUMOWQWGD-QGZVFWFLSA-N 445.566 5.109 30 20 IKED C=C(C)[C@H](NC(=O)CCc1ccccc1NC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 790936425 BNSKCMWVVQEJDC-QFIPXVFZSA-N 430.495 5.678 30 20 IKED CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 793123551 ZAAWDZLMKFDXRE-HOCLYGCPSA-N 435.396 5.895 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccsc3)N([C@@H]3CC[C@@H]3C)C2=O)c1 795182662 LKSRDTSMHDDWCH-IPELMVKDSA-N 427.595 5.124 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 802042987 NKTSXWBAGHROJE-CXAGYDPISA-N 442.796 5.034 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 806402276 ZCTFMFBBZMCGGY-KBXCAEBGSA-N 435.471 5.318 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)c1cccc(Br)c1 813060441 ZJEUZIGDKRFHDV-LIRRHRJNSA-N 427.342 5.025 30 20 IKED N#C[C@H](C(=O)Cn1c(C2CCCCC2)nc2ccccc21)c1cc(C(F)(F)F)ccn1 813218846 UCABQZPEVSNALJ-KRWDZBQOSA-N 426.442 5.374 30 20 IKED CC(=O)N[C@H](CC(=O)N1CCCSC1=Nc1ccccc1C(C)C)c1cccs1 821731490 BOCKNDIQVFJIMK-LJQANCHMSA-N 429.611 5.092 30 20 IKED O=C(Nc1cccc(/C=C/C(=O)c2sccc2Br)c1)c1ccccc1Cl 915113295 NJZJDCLQDRYQDX-CMDGGOBGSA-N 446.753 6.312 30 20 IKED CC(C)(C)c1ccc(Oc2ccc(C=Nn3cnc4ccccc4c3=O)cc2[N+](=O)[O-])cc1 916368969 YMEGFKHWQZPVRV-UHFFFAOYSA-N 442.475 5.277 30 20 IKED CC(=O)c1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916628116 MEZRUQSQEBCBTL-FQEVSTJZSA-N 438.936 5.702 30 20 IKED Cc1cccc(N2C[C@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)c1C 916976918 WXLYGESWMNLNRW-IEBWSBKVSA-N 449.963 5.310 30 20 IKED Cn1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C(F)(F)F)n1 920110583 ODPNSHTZOOPIMF-SNVBAGLBSA-N 445.253 5.359 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccccc2)CC2CCC2)cc1 920206738 RZICHXZLKQWYIN-AREMUKBSSA-N 437.543 5.109 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(-n3ccnc3)cc2)cc1Cl 921236812 PXDKHCFNHUDIKM-QHCPKHFHSA-N 441.922 5.503 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CSC3CCCC3)cc2)CCC1 1786348998 XHBGRJSPXUIYIS-JOCHJYFZSA-N 426.626 5.565 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CCC(=O)c3ccc(OC)cc3)cc2)CCC1 1787692543 PHVDRDPMGQETDR-LJQANCHMSA-N 448.563 5.004 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(cnn4C)c3)cc2)CCC1 1789083227 MZPRSOCPWSKJTO-UHFFFAOYSA-N 442.563 5.089 30 20 IKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)CCC1 1790672447 FOHCJIOXAZNGNT-UHFFFAOYSA-N 449.860 5.410 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccco4)CCC3)cc2)c(Cl)c1 1790763854 BBAQHCLEQZEUIT-UHFFFAOYSA-N 447.922 5.185 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(Cl)cc4c3)cc2)CCC1 1790867445 BTGIVDSKVGNKIJ-UHFFFAOYSA-N 446.938 5.186 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)[nH]n3)CCC2)cc1 1791249113 KQTJJVUEGQEMQL-GOSISDBHSA-N 428.536 5.037 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccc(Cl)cc2)CC1 1801522532 VWUVIRZZMCCNLM-WKCHPHFGSA-N 429.004 5.002 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(Cl)ccc3F)CC2)C1 1805451260 DFLSBKXCAGYUQX-UHFFFAOYSA-N 432.967 5.092 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](C)Sc3ccccc3)C2)CC1 1805857100 ZDJDXFQXZVWNAC-OAQYLSRUSA-N 442.669 5.391 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](F)c2ccccc2)[nH]n1 1814440072 ITSAUHJOIOUWMF-CTNGQTDRSA-N 426.536 5.105 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c(C(C)(C)C)c2)[nH]n1 1814827542 RRGCCSKOKSCONB-HXUWFJFHSA-N 437.588 5.110 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc4occc4c3)sc2C1 1818452371 GDTVQCKABMVUHH-QGZVFWFLSA-N 437.565 5.108 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1828829567 JLAIPDMBGPBGFZ-QGDZQMKYSA-N 447.623 5.315 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)C1 1846896711 YBTKIZBIVIPFOI-HNNXBMFYSA-N 441.786 5.232 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1cccc(C)c1C 10167843 SASLSUOLDISDTJ-UHFFFAOYSA-O 430.018 5.919 30 20 IKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1ccccc1)c1cccc(Cl)c1 15247960 WMXJWEPWBONTTI-UHFFFAOYSA-O 436.771 5.985 30 20 IKED N#Cc1cccc(/C=C2\CC(C#N)(c3ccccc3)C/C(=C\c3cccc(C#N)c3)C2=O)c1 22313873 SSKDIUMUUOATTL-LVSXPEEVSA-N 425.491 5.721 30 20 IKED C=CCn1c(-c2sc(NC(=O)COc3ccccc3[C@H](C)CC)nc2C)n[nH]c1=S 29650679 FGMFEHRCDISMQJ-CYBMUJFWSA-N 443.598 5.090 30 20 IKED CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)c2cccs2)cc1 61973252 JJBYCDOKTOZPTE-NRFANRHFSA-N 437.952 5.241 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 62905795 RQKAWYMRBOQOFF-UHFFFAOYSA-N 440.528 5.068 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 63403570 BCCCCZLHKWWMJU-DEOSSOPVSA-N 449.482 5.230 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2ccnc3ccccc23)n(Cc2ccccc2)c1C 110657661 BWRIAJSZGKXGBS-UHFFFAOYSA-N 426.545 5.304 30 20 IKED COc1cccc(Oc2ncccc2CNC(=O)c2ccccc2-c2ccccc2C#N)c1 303876030 NYHVSQKECDXSAW-UHFFFAOYSA-N 435.483 5.351 30 20 IKED C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 428909093 WFFPEPKLCKHTSR-HNNXBMFYSA-N 427.335 5.132 30 20 IKED CCN(C(=O)c1cccc(SCC#N)c1)[C@H]1CCSc2ccc(Br)cc21 430719202 ZABJKQZFDGOJNE-SFHVURJKSA-N 447.423 5.764 30 20 IKED N#CCCC[C@H](NCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1 433014302 ROFRLAVXAYDBQZ-VXKWHMMOSA-N 430.379 5.682 30 20 IKED CCN(c1ccccc1)c1ccc(CNCc2cn(CCC#N)nc2-c2ccncc2)cc1 433340316 DNJHBCIPEPSNAD-UHFFFAOYSA-N 436.563 5.307 30 20 IKED Cc1cnc(C2CCN(C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CC2)s1 433408179 DVHSFFPWKKPSGV-GOSISDBHSA-N 430.577 5.640 30 20 IKED COc1ccc(C#N)cc1CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 435138909 UNEXKSVGTMVXOY-UHFFFAOYSA-N 433.924 5.155 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 435672818 RVOVIMBWTCBERY-AWEZNQCLSA-N 438.475 5.232 30 20 IKED C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 437504934 WGVOQAICAKJUGN-MGPUTAFESA-N 429.451 5.336 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2(c3nc(C)cs3)CCCC2)cc1 438188871 RVNHXYQNCUROGW-UHFFFAOYSA-N 448.548 5.715 30 20 IKED CCO[C@@H](C)c1nc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cs1 438229595 UIMNEDYWJJBTPI-INIZCTEOSA-N 436.537 5.568 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C[C@@H](c2ccccc2)O1 438666454 QNSNKVKJDPNEIP-OSPHWJPCSA-N 431.467 5.484 30 20 IKED N#CCC[C@@H](NC(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1)c1ccccc1 438835322 CDGHDPUBQACUOM-UXHICEINSA-N 436.314 5.260 30 20 IKED C[C@@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 440085458 ATJSNLMMRYZODF-KOSHJBKYSA-N 444.510 5.483 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1cccc(C(F)F)c1)c1ccc(C(F)(F)F)cc1 442047118 HZPKTWAQADJDFO-KRWDZBQOSA-N 426.385 5.405 30 20 IKED Cc1nc(-c2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2)cs1 442871534 LXVDUNKOPRQHLU-LJQANCHMSA-N 426.526 5.604 30 20 IKED N#Cc1cc(Br)ccc1NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 444866654 BCBCPKHBSREXEE-UHFFFAOYSA-N 437.341 5.052 30 20 IKED CC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 446356056 VWBQDQFNPIBVEO-UHFFFAOYSA-N 441.531 5.206 30 20 IKED Cc1oc(-c2ccco2)nc1CC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 460336959 CJFFMXQUQNCUSG-UHFFFAOYSA-N 431.879 5.544 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C 467149417 FNEVHWIVUZCCAW-QGZVFWFLSA-N 431.540 5.802 30 20 IKED CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)n1 467704182 HXSMZSUXHRDELF-KRWDZBQOSA-N 449.511 5.131 30 20 IKED Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 468330805 RYSCKXVMGLHYGH-FQEVSTJZSA-N 432.568 5.321 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(CCC(F)(F)F)CC(F)(F)F)cc1 468534264 AQYAPFKLCDZOLJ-UHFFFAOYSA-N 430.348 5.616 30 20 IKED N#CCCCN1C(=O)CCc2cc(NCc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)ccc21 469184193 PLIFYTSALZZNOO-UHFFFAOYSA-N 446.532 5.518 30 20 IKED Cc1cnc(C2CCN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)CC2)s1 470109611 LDNJOXDIRTVWRO-UHFFFAOYSA-N 437.952 5.789 30 20 IKED C=CCc1cc(CNC(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)cc(OC)c1OC 470481035 ZKHZYJPRWWFCFK-GOSISDBHSA-N 431.536 5.055 30 20 IKED C[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(Cl)c1Cl 470545134 BYAUCGPTXDSGGS-AWEZNQCLSA-N 445.350 5.459 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Nc2ccccc2O[C@H]2CCOC2)cc1 470792354 JDNWERUKIXSLGO-QFIPXVFZSA-N 443.503 5.143 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 475587601 ZOPDSHLYERKDQD-UHFFFAOYSA-N 446.517 5.743 30 20 IKED C=CCn1c(SCc2nc(-c3c(F)cccc3F)cs2)nnc1-c1cccnc1 478841817 WHMJHRXUAAZWMR-UHFFFAOYSA-N 427.505 5.220 30 20 IKED Cc1cc(C(=O)Nc2cnn(-c3ccccc3Cl)c2C(C)C)nn1-c1cccc(C#N)c1 482720402 QSDLVMJBFPUGFR-UHFFFAOYSA-N 444.926 5.267 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1nc(-c2cc3ccccc3o2)cs1 483347335 UYSZLGOCKISDCL-UHFFFAOYSA-N 428.517 5.326 30 20 IKED Cc1c(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)sc2ccc(C#N)cc12 483984333 SOOCNLIROCJMGO-ZDUSSCGKSA-N 435.496 5.577 30 20 IKED COc1ccccc1-c1nnc(Sc2ccc(Cl)c(C#N)n2)n1CCc1ccccc1 486439722 SGKCMWNOOUDSPZ-UHFFFAOYSA-N 447.951 5.268 30 20 IKED C[C@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1nc(C(F)(F)F)cs1 489920014 BAPADPISBQIPKG-ZDUSSCGKSA-N 431.439 5.104 30 20 IKED N#Cc1ccc(Br)c(CN[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c1 491591068 HFXNTBRJAATRAD-OAHLLOKOSA-N 435.190 5.315 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)N(CCC#N)Cc2ccco2)c1C 494155326 WNHBSUJGAHKGSL-UHFFFAOYSA-N 432.311 5.337 30 20 IKED Cc1cc([C@@H](C#N)C(=O)c2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)nc(C)n1 496127940 IEKDFTGSJMQNBV-HSZRJFAPSA-N 436.471 5.563 30 20 IKED CCc1onc(C)c1NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 496345805 LWNQWKGJUUUJGA-UHFFFAOYSA-N 435.431 5.127 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)cc(OC)c1OC 500233697 SWOOLUQJWLLWEM-UHFFFAOYSA-N 427.394 5.155 30 20 IKED CC[C@@H](C)n1c(SCC(=O)N(Cc2ccc(C#N)cc2)C2CC2)nnc1-c1ccccc1 504315908 YEBCHSALQPYOQH-GOSISDBHSA-N 445.592 5.071 30 20 IKED CC(C)n1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1Cl 504579775 NMGRFFVRGGOBLM-UHFFFAOYSA-N 431.348 5.679 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2F)C(C)C)nnc1-c1ccc(Cl)cc1 505328503 GZAVTBCYHCXXLH-LJQANCHMSA-N 444.963 5.679 30 20 IKED N#C[C@@H](NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(Cl)c1Cl 505339572 VTIUVROWWMEPLF-OAHLLOKOSA-N 435.698 5.010 30 20 IKED N#C[C@H](NC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1c(Cl)cccc1Cl 505505149 DPYOPHBKKCYXHY-KRWDZBQOSA-N 445.375 5.201 30 20 IKED CC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)c12 505922798 LRYRPHXWLXTUNB-KRWDZBQOSA-N 428.414 5.237 30 20 IKED C[S@@](=O)c1ccc(NC(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1F 506676543 KYARAGJHVRRBTM-IZPCHGGPSA-N 442.356 5.007 30 20 IKED CN(C(=O)c1cc2cc(Br)cc(Br)c2o1)c1ccccc1C#N 508092162 DBTILIYNTGSLEK-UHFFFAOYSA-N 434.087 5.106 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N(Cc3ccccc3)Cc3ccccc3F)CC2)c(F)c1 508775247 QSCXDOWTDCDBTD-UHFFFAOYSA-N 445.513 5.282 30 20 IKED O=C(NCc1cccc(OCC(F)(F)F)c1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 508780954 WWXFHKCNKUPTSG-MRXNPFEDSA-N 438.343 5.260 30 20 IKED C=CCN(Cc1ccccc1)C(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 509532587 LKLLOEHHALLMOJ-UHFFFAOYSA-N 436.559 5.496 30 20 IKED Cc1cccc(OCCN(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 509904421 IOISFDPHBUUAJJ-UHFFFAOYSA-N 429.520 5.183 30 20 IKED C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509906208 VVXIYSYHKRWNHU-KRWDZBQOSA-N 435.474 5.835 30 20 IKED COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 510023303 JVUDQXCIRFAMEJ-KSFYIVLOSA-N 449.938 5.895 30 20 IKED CN(Cc1ccc(Cl)s1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510024535 VPZIVAIGYQMGNV-SFHVURJKSA-N 430.360 6.374 30 20 IKED CCN(CC)[C@H](C(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(C(F)(F)F)c1 510864141 FKVPAIZDHACYED-IERDGZPVSA-N 449.542 5.979 30 20 IKED C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCC(Oc2ccc(C#N)cc2F)CC1 512815547 CVZIIUBIVIXSFJ-AWEZNQCLSA-N 426.879 5.005 30 20 IKED O=C(Cc1csc(-c2ccc(Cl)s2)n1)Nc1cccc(C#Cc2ccccn2)c1 512951970 ZHCRKNNDJVHXQO-UHFFFAOYSA-N 435.961 5.501 30 20 IKED COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Nc2ccc(Oc3ccccc3C#N)cc2)c1 513201226 MKGKOTLMPNHXQJ-ZWKOTPCHSA-N 445.519 5.046 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)NC2(c3ccc(Cl)cc3)CCOCC2)c1 513253858 FIVPUEJXTSPFSX-UHFFFAOYSA-N 446.934 5.226 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 513722341 JTMYHNZECATQGU-HNNXBMFYSA-N 449.488 5.387 30 20 IKED C=CCN(C(=O)c1oc(Br)cc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 515160833 LMGGRFUZVSDZTJ-UHFFFAOYSA-N 448.298 5.215 30 20 IKED C=CCn1c(SCC(=O)NCc2sccc2C)nnc1-c1ccc(C(C)(C)C)cc1 515424962 IWMZZGZUPNXTEH-UHFFFAOYSA-N 440.638 5.207 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 518259142 HAYXSIAWOJNGBR-YCRPNKLZSA-N 441.984 5.330 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C)nc4onc(C(C)C)c34)n2)cc1 520470375 AKLGHAYNNSRKPL-KRWDZBQOSA-N 432.505 5.277 30 20 IKED N#CCCCOc1cccnc1NC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1 520686781 KMPOYFJNJCRFLJ-UHFFFAOYSA-N 435.911 5.178 30 20 IKED COc1cccc(Oc2ccc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)cc2)c1 520910796 IGGSDHQAYWAWOY-UHFFFAOYSA-N 443.503 5.153 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cnn(-c4ccccn4)c3C(F)(F)F)cc2)c1 521328506 WPKJFCCSUYKJKG-UHFFFAOYSA-N 449.392 5.202 30 20 IKED C=CCOc1ccccc1CNC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 522085185 YLTFJHSGKDDDRJ-UHFFFAOYSA-N 435.911 5.479 30 20 IKED Cc1ccc(SCC(F)(F)F)c(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 522988894 NWNUSROXMYLZCA-UHFFFAOYSA-N 449.498 5.596 30 20 IKED CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@H](c1cccc(F)c1)c1cnn(C)c1 523109125 VAZHBXCDIOQUDV-RUZDIDTESA-N 440.478 5.085 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCCCC[C@H]3c3ccco3)s2)cc1 524074226 WTCBMNSOQWGNIM-KRWDZBQOSA-N 439.566 5.444 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](c1cccc(Cl)c1)N(C)C 525459161 PNVUYYIUSUJKAY-XMMPIXPASA-N 433.939 5.341 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)c1 530740930 AZBZGHITWLYZEC-MRXNPFEDSA-N 436.256 5.291 30 20 IKED CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 532126125 VENKPHPQLLXFIF-QGZVFWFLSA-N 438.499 5.074 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2nc(-c3ccc(O)cc3)cs2)cc1 533973117 NJHPARUKFVHHPX-UHFFFAOYSA-N 443.553 5.932 30 20 IKED N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 534630309 RDGVKXFVRWIHGY-QGZVFWFLSA-N 433.817 5.078 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)c1ccc(CC#N)cc1 535397316 NSAMZUIOVMMZHX-ZDUSSCGKSA-N 440.366 5.438 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nn1[C@H](C)C1CC1 539679260 IMYNQRKQHOPNPD-WBMJQRKESA-N 445.375 6.083 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 539745869 SPYXGSNQVDENSK-NRFANRHFSA-N 439.563 5.411 30 20 IKED Cc1cc(Br)cc2c1CN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)CC2 540400413 GOKZZAMEVPBSGS-AWEZNQCLSA-N 444.398 5.600 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 542022902 CYJQMOPHIXMEHH-KXBFYZLASA-N 449.498 5.705 30 20 IKED Cc1ccc([C@H]2CCN(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)C2)cc1 542347518 CZFDZODVCDONAJ-IBGZPJMESA-N 435.578 5.032 30 20 IKED N#CCC1CCN(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)CC1 542894523 UAAAUNGQEHLKFQ-HXUWFJFHSA-N 430.321 5.013 30 20 IKED CN(C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 543606411 DIDZCNIDJJJBCI-WIOPSUGQSA-N 445.494 5.874 30 20 IKED CC[C@@H](N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccccc1OCC(=O)N(C)C 543963399 UHHLTFHWTJJXDH-RXFWQSSRSA-N 441.575 5.494 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)ccc21 544175939 UZMVAXMKWUTGNT-UHFFFAOYSA-N 426.442 5.312 30 20 IKED CCN(Cc1nc(O)c2ccccc2n1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 552279030 NPDQKRJQVWAGJR-UHFFFAOYSA-N 439.475 5.053 30 20 IKED CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC(=O)c1ccc(C#N)cc1 552320644 OKWICZQSFQKXKB-UHFFFAOYSA-N 442.302 5.085 30 20 IKED C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](c2cccc(F)c2)C1 555243187 KLCALTFMABOUGC-LJQANCHMSA-N 438.572 5.288 30 20 IKED Cc1nc(C#N)c(N2CCC(c3nc(-c4cccc(Oc5ccccc5)c4)no3)CC2)o1 579772326 YPPMGPFXUIWXIK-UHFFFAOYSA-N 427.464 5.081 30 20 IKED CC[C@H](NC(=O)c1ccccc1)c1noc(-c2ccc(OCc3ccccc3C#N)cc2)n1 580362915 KHZMPGAJUAOGJZ-QHCPKHFHSA-N 438.487 5.068 30 20 IKED N#Cc1ccc(N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] 582639486 YTOUDRJEGRDAMV-KRWDZBQOSA-N 445.319 5.082 30 20 IKED C=CCN(Cc1cccs1)C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 596438132 RJEOPZUISNNKAB-UHFFFAOYSA-N 438.424 5.417 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 604458377 DRFFVPSFYDDPRD-MRXNPFEDSA-N 440.330 5.256 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)[nH]c12 605362949 AFCSHEUCZLJGQB-IBGZPJMESA-N 426.863 5.679 30 20 IKED N#C[C@H](C(=O)c1csc(-c2cnccn2)n1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 607274359 ILOZDBVLDLNNNK-MXZREZBESA-N 447.589 5.014 30 20 IKED O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)Nc1cccc(C#Cc2ccccc2)c1 607717590 CECAEZCOUXVFNH-UHFFFAOYSA-N 427.891 5.361 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C2CC2)cc1 609078228 HELZFGPPDAPIPE-SANMLTNESA-N 441.531 5.727 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N(Cc3ccco3)Cc3cccs3)c2)cc1 609208977 MMFNFFTZELXJIR-UHFFFAOYSA-N 429.501 6.239 30 20 IKED N#CC1CCN(C(=O)NC[C@@H](c2ccccc2)c2c(-c3ccccc3)[nH]c3ccccc23)CC1 609212665 KPYFTHORGVCYEE-VWLOTQADSA-N 448.570 5.912 30 20 IKED CCCN(C(=O)c1cc(-c2ccccc2)nc2onc(C)c12)c1cc(Cl)ccc1C#N 609285710 DGIZYPYVOCOMBA-UHFFFAOYSA-N 430.895 5.780 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCc2[nH]c3ccc(Cl)cc3c2C1 609385453 NDGLLJQZCIARFR-HNNXBMFYSA-N 438.984 5.070 30 20 IKED Cc1cc(NC(=O)[C@@H](C)Nc2ccccc2SC[C@H](C)C#N)ccc1Br 609386956 AGSMBOUSDGJVLI-UKRRQHHQSA-N 432.387 5.448 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC(C)(C)Cc1ccc(Br)cc1 609438178 FHPZFHTZRAKPTM-OAHLLOKOSA-N 446.414 5.986 30 20 IKED CN(Cc1ccccc1)Cc1cccc(C(=O)N[C@H](C#N)c2ccccc2Br)c1 609590466 BPAXUHFERJZRDU-HSZRJFAPSA-N 448.364 5.076 30 20 IKED N#Cc1cc(NC(=O)N2CC[C@H](N3CCCC3)C2)ccc1Oc1ccc(C(F)(F)F)cc1 610331719 LGRXUYRJAGDJGM-IBGZPJMESA-N 444.457 5.071 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C 615501949 VEDAPJVMQKBQLW-UHFFFAOYSA-N 429.520 5.476 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 615971725 RJKOZKLYGUTSBQ-UHFFFAOYSA-N 434.458 5.725 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674461258 NJUGHKKPEAKJFG-IUCAKERBSA-N 444.734 5.255 30 20 IKED Cc1cc(F)c2nc(O)cc(C(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2c1 679279634 GBNJMYVTUHKSBA-URLYPYJESA-N 438.343 5.027 30 20 IKED C[C@@](Cc1nc2ccccc2s1)(C(=O)NCc1ccc(OCC#N)cc1)c1ccccc1 727677854 USVZASMMGSDVFY-SANMLTNESA-N 441.556 5.015 30 20 IKED Cc1sc2nc(SCc3ccc(OCC#N)cc3)n(C3CCCC3)c(=O)c2c1C 729241152 NZQCOSVJCGIKIU-UHFFFAOYSA-N 425.579 5.385 30 20 IKED CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 729319441 KQNXZBFWMCMTQA-QUCCMNQESA-N 427.932 5.237 30 20 IKED Cc1csc([C@H](C#N)C(=O)COC(=O)[C@H](Oc2cccc(C(C)C)c2)c2ccccc2)n1 730642616 BQDDHFOBQUCHKJ-FYYLOGMGSA-N 448.544 5.115 30 20 IKED Cn1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(-c2ccccc2Cl)n1 731165694 DITIDHWIZMWXAL-OAQYLSRUSA-N 426.907 5.648 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(N2CCOC2=O)cc1 731400923 YEMXNAJSJMWSMY-QGZVFWFLSA-N 442.475 5.190 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)cc2)cc1 732495688 GMHOVWCMOBJYKQ-FQEVSTJZSA-N 447.853 5.299 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1OC 733656443 LEZMWOJVAAYGOI-DEOSSOPVSA-N 443.547 5.288 30 20 IKED C=CC[C@H](NC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C)c1ccncc1 734360004 FCEGARGXLHZYFM-QFIPXVFZSA-N 445.592 5.800 30 20 IKED CN(Cc1ccccc1C(F)(F)F)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740064697 QWHMDWWHKAFDHY-UHFFFAOYSA-N 429.467 5.647 30 20 IKED COc1ccc(/C=C\C(=O)c2cnn(-c3cc(C)ccc3C)c2C)cc1OCCCC#N 741843238 OMJZHCBOWHXNEO-LUAWRHEFSA-N 429.520 5.385 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN(CC)Cc2cccc(-c3ccncc3)c2)c1=S 742160222 YDYGLBCSJHCMGM-UHFFFAOYSA-N 442.592 5.204 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 743130268 ODNLXTNUYDZIBK-UHFFFAOYSA-N 425.847 5.109 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@H](O)c1cc(C)cc(C)c1 743252766 DJUMAISPRHLRAV-FQEVSTJZSA-N 429.973 5.139 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)OC(=O)c1ccc(C#N)nc1 744319865 KPJVKBLGMQVICU-GFCCVEGCSA-N 428.311 5.066 30 20 IKED C=CCn1c(-c2ccccc2F)nn(CN2CCC(c3ccc(OC)cc3)CC2)c1=S 744435646 HHSSMKLOOGVEAW-UHFFFAOYSA-N 438.572 5.252 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4cc5ccccc5[nH]4)CC3)cn2)cc1 744774229 ZFOYXJSKFVVACU-UHFFFAOYSA-N 437.503 5.638 30 20 IKED CC(=O)Nc1cccc(NC(=S)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1 745724823 YGGWPMRHDIXPCX-UHFFFAOYSA-N 432.524 5.368 30 20 IKED CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C#N)s2)NC(=S)N1c1cccc(C)c1 749014870 PMBCXUSXMNUHJI-JOCHJYFZSA-N 444.585 5.277 30 20 IKED CCC(CC)(Cc1nc2ccccc2s1)C(=O)NC1CCN(c2ccccc2C#N)CC1 750047506 RGLQJGHLGKHRTP-UHFFFAOYSA-N 446.620 5.302 30 20 IKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(C3CC(F)(F)C3)C2=O)cc1 757875420 SKJNXPUGLVUJTP-LJQANCHMSA-N 443.519 5.061 30 20 IKED Fc1c(Cl)cccc1C=Nn1c(S)nnc1COc1c(Cl)cccc1Cl 759647908 BVMHKFTYXBCPST-UHFFFAOYSA-N 431.707 5.127 30 20 IKED CN(c1ccc(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc1F)C1CCCCC1 761219177 QFZHCHNTIBFNOX-XMMPIXPASA-N 436.531 5.072 30 20 IKED O=C(/C=C\c1ccc(OCc2ccncc2)cc1)c1ccc(N2CCOCC2)cc1Cl 762437922 HOUCDAPRWVMGNB-BAQGIRSFSA-N 434.923 5.047 30 20 IKED C[C@@H]1CCC[C@H](OCCCCCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)C1 766622919 KNWPMEQIUSDRIL-BPQIPLTHSA-N 439.383 5.796 30 20 IKED Cc1cccc(-c2nc(C)c(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)[nH]2)c1 772726132 CQBLXPVPSOWTSB-UHFFFAOYSA-N 430.295 5.021 30 20 IKED C[C@H](N[C@H](c1cccc(F)c1)c1cccc(Br)c1)c1ccc(OCC#N)cc1 776165358 ZLWWSCCWPNOBRM-HJPURHCSSA-N 439.328 5.931 30 20 IKED COc1ccc2ccccc2c1-c1cc(CON=C(C)c2ccc(NC(C)=O)cc2)on1 778026346 QWKKKBGGXZTGLU-UHFFFAOYSA-N 429.476 5.403 30 20 IKED N#Cc1ccc(COC(=O)c2ccccc2CSC2=NCCS2)c(Br)c1 778075625 YGFKMCBTLHZDGI-UHFFFAOYSA-N 447.379 5.014 30 20 IKED N#C[C@@H](C(=O)CCCCCc1ccc(F)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 778598959 MDQVIXFMZYXXBB-SFHVURJKSA-N 437.540 5.394 30 20 IKED N#Cc1ccc(NC(=S)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)cc1Cl 781543420 KJJPZTXNUOPGRT-QGZVFWFLSA-N 425.863 5.001 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCCN1c1nccs1)c1nc(-c2ccc(Cl)cc2Cl)cs1 783069195 GEHBERLLICXYBU-CJNGLKHVSA-N 449.388 5.419 30 20 IKED CC[C@H](NC(=O)[C@@H](C#N)C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)c1ccccc1 787039642 SHUWNZSEGLNBJJ-ZSCLYBAYSA-N 434.845 5.262 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COc1ccc(SC(F)(F)F)cc1 795247491 RRFVBIHJNWOAAU-CYBMUJFWSA-N 426.485 5.568 30 20 IKED O=C(/C=C\Sc1cc(F)ccc1F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 797827069 TVWZZHOVJLFUSR-HWKXXFMVSA-N 433.364 5.596 30 20 IKED C=CCOc1ccc(/C=C\C(=O)O[C@@H](c2nc3ccccc3o2)C(F)(F)F)cc1OC 798242045 VRGFVJKJEFQALM-XADARROHSA-N 433.382 5.261 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H](O)c3ccc(C(F)(F)F)cc3)cc2)cc1 806233781 XGEZKTSIPCEJNO-OAQYLSRUSA-N 441.409 5.224 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1C 806368621 ZDXCLPRUDDNBOE-UHFFFAOYSA-N 429.517 5.038 30 20 IKED CC(C)[C@H](Oc1ccc(Br)cc1)c1noc(-c2ccccc2OCC#N)n1 809498633 PPOPVWZSRKGDLX-SFHVURJKSA-N 428.286 5.178 30 20 IKED N#Cc1ccc(Br)c(CNc2ccc(C(=O)NCc3ccccc3F)cc2)c1 864004899 FJPGLKVYKOQUTD-UHFFFAOYSA-N 438.300 5.002 30 20 IKED CSc1ccc(N2C[C@H](C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2=O)cc1 915085147 HDYJCIFRYTUSRE-YKSBVNFPSA-N 441.556 5.056 30 20 IKED CC(=O)Nc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 915102784 HIIPIWQDMMPQCC-KRWDZBQOSA-N 444.343 5.494 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2cc(Cl)c3c(c2)OCCO3)cc1 915354082 UXQXGIMZELMBNI-OAQYLSRUSA-N 447.922 5.131 30 20 IKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(C2CCCC2)C1=O)Nc1ccccc1F 916212497 NSXTZFACKRCWLQ-IBGZPJMESA-N 445.947 5.382 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C=NNc1ccc(Cl)nn1 916288246 QQOVZUXKIQTANG-UHFFFAOYSA-N 430.126 5.089 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 916680177 GBKRNMXHAGSZHZ-JWQCQUIFSA-N 441.531 5.261 30 20 IKED N#C[C@@H](C(=O)CSCc1ccc(Cl)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 916845821 PBTGDQCJFNJELI-HNNXBMFYSA-N 443.981 5.039 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc2ccccc2n1 916849540 XSJXDQBFJGWTAZ-QGZVFWFLSA-N 436.298 6.006 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)s2)o1 916946528 XUEDXJMGHNZEAV-AWEZNQCLSA-N 434.304 5.288 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4cccc(Br)c4)CC3)n2)cc1 916974391 JYUHXEQOQBWUPC-SFHVURJKSA-N 437.362 5.789 30 20 IKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccc3ccccc3c2)[n+]2ccccc2)C=C1 917609830 GHBYTKPANXVHJD-UHFFFAOYSA-O 440.548 5.221 30 20 IKED CC(=NNC1=NC(=O)/C(=C\c2cnc(-c3ccccc3)nc2)S1)c1cccc2ccccc12 917623841 YKXMWTWPMBFVSF-IINYUFORSA-N 449.539 5.281 30 20 IKED CC(C)c1ccccc1N(C(=O)COc1cccc(C#N)c1)c1nc2ccccc2s1 918542416 YEVRJCQYWNNSMW-UHFFFAOYSA-N 427.529 6.035 30 20 IKED O=C1c2cccc3cccc(c23)C(=O)N1N=Cc1csc(COc2ccc(Cl)cc2)n1 918709892 ZXXOPRQIYDCJRU-UHFFFAOYSA-N 447.903 5.159 30 20 IKED O=C(CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)Nc1ccccc1SC(F)F 918739654 ATQSPBKRJYEYKX-NXEZZACHSA-N 436.368 5.003 30 20 IKED N#CCCn1cc(C(=O)COC(=O)[C@H](Oc2ccccc2)c2ccccc2)c2ccccc21 919308059 TWEQRJSEIYYZSG-AREMUKBSSA-N 438.483 5.101 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC1CCC(C)(C)CC1)C2 1779512340 YQHXNZZWHXOPGE-AJTFRIOCSA-N 446.676 5.099 30 20 IKED Cc1cccc(-c2ncccc2C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)S)CCC3)cc2)c1 1788362563 ORVLDOIYRQZBPX-GOSISDBHSA-N 445.588 5.123 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5ncccc45)cc3)CCC2)cc1 1788906543 STZWUKUKESIKPQ-UHFFFAOYSA-N 446.510 5.168 30 20 IKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)C[C@H]4C[C@@H]5CC[C@H]4C5)cc3)CCC2)cc1 1791321262 ULQPDVLVGDCPJV-XPWALMASSA-N 441.575 5.061 30 20 IKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)o1 1792122589 CIXDRBHYURAGTC-KRWDZBQOSA-N 427.504 5.277 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1c[nH]c3cc(C)ccc13)C2 1798593782 KDAQCOAMBCGJOI-NQRWQOJGSA-N 433.596 5.120 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)/C=C/c3cccc(C(F)(F)F)c3)C2)CC1 1806489171 APPSYUSCCPOJAZ-JBVUFVISSA-N 448.529 5.162 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)c2cccs2)CC1 1832142830 BZRFCBSEHWMIOB-FCEUIQTBSA-N 428.642 5.240 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)cc1 29070258 FCSFWUNAIGPWHK-UHFFFAOYSA-N 434.443 5.183 30 20 IKED C=C(C)CN(CC)C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 58613456 XVHWGHBUADFHKO-UHFFFAOYSA-N 441.647 5.994 30 20 IKED N#C[C@@H](C(=O)c1cccc(Oc2ccccc2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 60488371 IYSVIFWUHKFRIH-IBGZPJMESA-N 441.512 5.558 30 20 IKED Cc1ccc(-c2ccc(CN(C(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)C(C)C)s2)cc1 63338855 KHJUHBZUPUSUHK-UHFFFAOYSA-N 447.604 5.270 30 20 IKED CCOC(=O)c1sc(NC(=O)CCCCc2nc3ccccc3s2)c(C#N)c1C 104828430 AULALIYQVNPONU-UHFFFAOYSA-N 427.551 5.066 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc3ccccc23)nnc1-c1ccccc1F 195569398 CJRBDLADWQIVCZ-INIZCTEOSA-N 432.524 5.543 30 20 IKED N#Cc1ccccc1COc1cccc(CNCc2ccc(NC(=O)c3ccncc3)cc2)c1 238111755 IMJSQVORANPHEO-UHFFFAOYSA-N 448.526 5.074 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cn1c(SC(F)F)nc2ccccc21 303295591 BRDLJCWJHRTZRO-ZDUSSCGKSA-N 432.521 5.241 30 20 IKED Cc1noc(C[C@@H](NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c2ccccc2)n1 429522664 UOXXAVQXTDYAFH-JOCHJYFZSA-N 440.528 5.115 30 20 IKED CCn1c(S[C@H]2CC[C@H](C#N)C2)nnc1-c1cc(-c2ccccc2)nc2ccccc12 430089442 NISBWSGJEKJDAT-HKUYNNGSSA-N 425.561 5.965 30 20 IKED N#Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)c(Cl)c1 430363360 GYOUZYLGUXUSKI-AWEZNQCLSA-N 436.726 5.009 30 20 IKED C[C@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCN(C2CCC2)C1 432680859 MSTFHPOKTNOHNC-WZONZLPQSA-N 436.987 5.334 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)n(-c2cccc(F)c2)c1C 433019399 NPYNTJAGTPUNGW-DEOSSOPVSA-N 443.526 5.068 30 20 IKED C[C@@H](NC(=O)[C@H](C#N)CCc1ccccc1)c1ccc(NC(=O)Nc2ccccc2)cc1 433221095 OSJGNDVHDLAOHQ-KNQAVFIVSA-N 426.520 5.280 30 20 IKED CC[C@H](O)CN(Cc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 435667241 ILKATUVXLOVPRF-DEOSSOPVSA-N 443.547 5.137 30 20 IKED CN(C(=O)c1cccc(COc2ccccc2C#N)c1)c1nc2cccc(Cl)c2s1 436407957 ULRFUDLJDJGJOF-UHFFFAOYSA-N 433.920 5.677 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 437758854 NEPURDRDXSNUKN-ZOCZFRKYSA-N 447.526 6.715 30 20 IKED CCCc1c(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cnn1-c1cccc(C#N)c1 440090425 VARCYUBDIRSJJY-UHFFFAOYSA-N 431.883 5.257 30 20 IKED Cc1ccc(OCc2ccccc2)c(NC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)c1 442191184 GLBCKGICFRRNST-QHCPKHFHSA-N 440.547 5.004 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 443934000 BMDIQDKUZPGSLQ-INIZCTEOSA-N 448.514 5.311 30 20 IKED CCc1c(NC(=O)c2cn(CCCC#N)c3ccccc23)cnn1-c1cccc(Cl)c1 444403642 IHPRXLPGOQVJAK-UHFFFAOYSA-N 431.927 5.599 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nc(C(C)C)nc2ccccc12 447336614 WCJCQVVAPAMKGR-QGZVFWFLSA-N 434.565 5.189 30 20 IKED C[C@@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1cccc(C#N)c1 461916683 NYLOLRCDFKDOLS-CYBMUJFWSA-N 440.450 5.238 30 20 IKED Cc1nn(C)c(Sc2ccccc2)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 463692530 FPPZMSNIKBZRSN-UHFFFAOYSA-N 440.528 5.796 30 20 IKED COc1ccc(CCN(Cc2ccsc2)C(=O)[C@@H](C)c2cccc(C#N)c2)cc1OC 464032595 QYPNEIDXDBFPKT-SFHVURJKSA-N 434.561 5.012 30 20 IKED N#Cc1cc(NC(=O)c2cccc(NC(N)=O)c2)ccc1Oc1ccc(C(F)(F)F)cc1 464308061 ZJKFSKGDHLCDIO-UHFFFAOYSA-N 440.381 5.112 30 20 IKED Cc1cccc(Oc2cc(CNC(=O)CCCCOc3cccc(C#N)c3)ccn2)c1C 464875713 QOIBILNUGQCWOA-UHFFFAOYSA-N 429.520 5.228 30 20 IKED O=C(NC1CC(c2ccc(F)c(Cl)c2)C1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 466842449 BDUPHYFTOKIHND-UHFFFAOYSA-N 432.767 5.251 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)c1ccc(C#N)cc1 466914818 AZSBPAAGKLFICS-LBPRGKRZSA-N 426.339 5.244 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3ccc4cc(Br)ccc4c3)CC2)cc1 473438268 VLHRROKDESCGGL-UHFFFAOYSA-N 435.321 5.158 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCc2sc(-c3csc(C)n3)cc2C1 475555807 YLGISEAAGUDZTA-UHFFFAOYSA-N 437.634 6.622 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 475570556 JMDBGZLTFNRZOW-WOJBJXKFSA-N 449.595 5.110 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(Oc2cccc(OC)c2)nc1 475571330 FYRPQMPUFFKMAE-UHFFFAOYSA-N 431.536 6.056 30 20 IKED CC(=O)c1ccc(C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1 486154364 HAAALISKOAWDBT-CYBMUJFWSA-N 447.253 5.553 30 20 IKED COc1ccccc1OCc1ccc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)o1 486571969 FLEICIXPGDYPIO-UHFFFAOYSA-N 434.536 5.192 30 20 IKED N#Cc1cccc(-c2nnc(CNc3cccc(Oc4cccc(C(F)(F)F)c4)c3)o2)c1 488158513 OOIRYGNJBBYMAJ-UHFFFAOYSA-N 436.393 6.031 30 20 IKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H]1OCCc2sccc21 494942940 ZYTZZIOZBNDLEO-MZNJEOGPSA-N 447.560 5.217 30 20 IKED CCc1nc2ccccc2n1C1CCN(C(=O)c2sc3ccc(C#N)cc3c2C)CC1 497569558 NPNICOPXHSDDIV-UHFFFAOYSA-N 428.561 5.471 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)Oc1ccc(F)cc1Cl 498087549 FFWWTNOLCNFPKM-INIZCTEOSA-N 438.886 5.644 30 20 IKED N#C[C@H](NC(=O)c1cccc(OCc2cccs2)c1)c1ccc(Br)cc1 499391894 CECJDVYZIZLENE-IBGZPJMESA-N 427.323 5.084 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 500591508 ZGTSPJOEFRJBRT-UHFFFAOYSA-N 431.439 5.280 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(CO[C@H]3CCC[C@H](C)C3)c2)cc1 502524122 XPNQTMWDZMCLNL-MBSDFSHPSA-N 436.556 5.733 30 20 IKED C=C(C)COc1cccc(NC(=O)N2[C@H]3CC[C@H]2CC(O)(Cc2ccc(F)cc2F)C3)c1 503496963 NGFHPTMOYDWMPS-SFTDATJTSA-N 442.506 5.052 30 20 IKED O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cc(O)nc2ccc(F)cc12 505372561 LEPGXWQXEVCTHN-MRXNPFEDSA-N 432.295 5.132 30 20 IKED Cc1nc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nn1-c1ccccc1C(C)C 507024316 NYPOVCGBRHYQKP-LJQANCHMSA-N 427.533 5.313 30 20 IKED CCCCN(C)CC1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 511385306 UATBLVZQQMNPNP-UHFFFAOYSA-N 448.611 5.307 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@]12CCC(=O)N1c1ccccc1S2 511561053 HHJKKROWQYJKIZ-RUZDIDTESA-N 441.512 5.227 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2coc(-c3ccccc3)n2)cc1 512539332 CFPZRFWGHLNWRU-UHFFFAOYSA-N 425.444 5.195 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1c[nH]c2ccccc12)C(F)(F)F 513147408 BDWFWLAFPKEOFA-SPLOXXLWSA-N 446.498 5.251 30 20 IKED CCOc1ccc([C@@H]2CCCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 515375088 VTNVZXRGWNWHKM-QFIPXVFZSA-N 432.549 5.373 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCCCCNc3ccccn3)cc2Cl)cc1 517893340 HWUJNBSPCCYNMK-UHFFFAOYSA-N 435.915 5.413 30 20 IKED C[C@H]1CCCN(Cc2ccccc2CNC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 518169680 SJPPYZXGNWRVPQ-VQTJNVASSA-N 436.625 5.492 30 20 IKED CSc1nc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c2ccccn12 518668810 NIDHIBMSIZNZCK-UHFFFAOYSA-N 436.484 5.333 30 20 IKED CC(=O)CCc1ccc(OCCC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 518729643 RJYXVENBSFMJHW-UHFFFAOYSA-N 428.488 5.280 30 20 IKED C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC(Oc2cccc(C#N)c2)CC1 519201273 FMWJWMCJCXEUKJ-OAHLLOKOSA-N 442.441 5.231 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCCC[C@@H]3c3ccccc3)cc2)cc1 520005748 XOEJVZNJPZEEKM-RPBOFIJWSA-N 439.515 5.132 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCC3(c4ccc(F)cc4)CCOCC3)cc2)c1 520938128 QOWQBDNYMVSHSX-UHFFFAOYSA-N 445.494 5.360 30 20 IKED C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 523013938 UBDLWCKNQYKXIV-XXBNENTESA-N 443.522 5.881 30 20 IKED Cc1ccnc(-c2ccc(N[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)cc2)n1 523736178 SZIWQWOOBLGHKF-MRXNPFEDSA-N 431.565 5.093 30 20 IKED C=CCN(C(=O)COc1ccccc1OCC(F)(F)F)c1nc(-c2ccccc2)cs1 524087702 IZEQHEFNGRRVHF-UHFFFAOYSA-N 448.466 5.349 30 20 IKED C[C@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1ccc(C#N)cc1 524101538 XQTZVFXIPBGRJK-AWEZNQCLSA-N 426.451 5.269 30 20 IKED Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccccc1Cl 530603903 GRQRLIACNWVWLM-OAQYLSRUSA-N 438.314 5.018 30 20 IKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(CN(CCC#N)Cc2ccco2)cs1 535204712 FKSXHUZRIIQHOK-UHFFFAOYSA-N 449.363 5.643 30 20 IKED Cn1cnc2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)ccc21 537477803 NQDUXZXFQFTRAA-CQSZACIVSA-N 427.316 5.494 30 20 IKED C=CCN(C(=O)[C@@H]1CCc2cnn(C)c2C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 538403958 KHEZRHFGOFYUIC-CQSZACIVSA-N 447.391 5.175 30 20 IKED CC(C)C[C@@H]1C[C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCO1 539718393 TWHRSMUHBTZTPD-KCZVDYSFSA-N 425.960 5.711 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccn(C)n1 546577256 GAMMXYVZTFZRCM-VFNWGFHPSA-N 439.972 5.379 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](c2ccccc2OC)C1 549667785 GHRYKSXBHXYAFQ-HXUWFJFHSA-N 425.536 5.072 30 20 IKED C=CCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1 554931098 XNZBHJDPRXRXHL-JXFKEZNVSA-N 427.474 5.056 30 20 IKED CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N[C@H](CCCC#N)c1ccccc1 556625850 SSRMOTQBXVMTQD-GOSISDBHSA-N 429.973 5.330 30 20 IKED Cc1c(NC(=O)c2ccc(F)c(C(F)(F)F)c2)nnn1Cc1ccc(C(F)(F)F)cc1 558906541 LHIRFBXLEKMBCS-UHFFFAOYSA-N 446.326 5.064 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 562135455 BEAGCHLOQFNSTI-UHFFFAOYSA-N 431.540 5.327 30 20 IKED N#Cc1ccccc1SCC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 565336026 JSOYPRHATHUVJX-LJQANCHMSA-N 427.485 5.367 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(C(=O)Nc3ccc(C#N)c(F)c3)C2)n1 566531803 BKTMYYQLDRKYDY-INIZCTEOSA-N 436.512 5.241 30 20 IKED N#Cc1ccc(CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c(C(F)(F)F)c1 568451648 JZKFVRXDLSGQOX-UHFFFAOYSA-N 441.400 6.009 30 20 IKED Cc1ccc(C)c(OC2CCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)CC2)c1 572892664 NCGNUXNINFOAMT-UHFFFAOYSA-N 442.519 5.438 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CC[C@H](Sc4cccc(Cl)c4)C3)cc2)nc1 584164091 FAEWMIOYDMUBTL-NRFANRHFSA-N 435.936 5.406 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)cc1 589907481 QAXNYQHHERZXKK-UHFFFAOYSA-N 444.535 5.101 30 20 IKED C=CCN(C(=O)Nc1cc(Cl)c(C)c(Cl)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 596359412 ASINGTQMEPWCES-AWEZNQCLSA-N 431.327 5.059 30 20 IKED C=CCOc1ccc(C(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)cc1 599647416 AWBZHKFEIBNBOH-UHFFFAOYSA-N 445.494 5.628 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1Oc1ncc(Cl)cc1Cl 603744535 QVUYXJULZPVRDE-CYBMUJFWSA-N 428.275 5.458 30 20 IKED N#Cc1ccc(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1Cl 603971532 VSJTUIFPLJLBOV-IBGZPJMESA-N 442.327 5.321 30 20 IKED Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604027140 INEVZPTVKQSVHV-UHFFFAOYSA-N 443.890 6.149 30 20 IKED O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 607185940 XHKDMTYWBZFXKX-ORXSELOVSA-N 432.767 5.107 30 20 IKED N#Cc1ccsc1C(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 608850365 IAIRISSDXWKVIT-UHFFFAOYSA-N 435.892 5.759 30 20 IKED CCOc1ccc2nc(SCC(=O)Nc3ccccc3S[C@H](C)CC#N)[nH]c2c1 609371107 ZOUHOSLVCUSXNB-CQSZACIVSA-N 426.567 5.087 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 609431010 JBRRHLRAWUIEQF-INIZCTEOSA-N 441.512 5.134 30 20 IKED COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609433952 LSMNYUYACHTQGF-QFIPXVFZSA-N 427.504 5.598 30 20 IKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 609520679 VLAMVROBNNGVHV-SQHAQQRYSA-N 440.543 5.785 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(-c4cnc(C5CC5)o4)cc3)c2)cc1 609641884 HWLOXIDPCQHTHK-UHFFFAOYSA-N 435.483 5.922 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCc4ccccc4CC3)cc2Cl)c1 609712182 JNNWAJATCUJQGT-UHFFFAOYSA-N 431.923 5.423 30 20 IKED CC(C)(C)n1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)c(-c2ccc(F)cc2F)n1 610223303 IMMQLQNUHNMRPT-UHFFFAOYSA-N 440.519 5.648 30 20 IKED COc1ccc2ccccc2c1CN(C(=O)NCc1ccc(C#N)cc1F)C1CCCC1 610402448 MVYWARGLSANSHH-UHFFFAOYSA-N 431.511 5.514 30 20 IKED N#Cc1ccc(CNC(=O)N[C@@H](c2cc(F)ccc2F)c2ccccc2Cl)c(F)c1 610402608 VWNYVFROOCZURB-OAQYLSRUSA-N 429.829 5.218 30 20 IKED CN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)[C@H]1CCCc2c1cnn2C 610973103 RAXOJERBIYLLNF-NRFANRHFSA-N 449.942 5.065 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C)n1-c1nccs1 613319720 JXQSSBUGLDBRNW-KRWDZBQOSA-N 438.965 5.818 30 20 IKED N#Cc1cc(Cl)c(C(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)c(Cl)c1 613551986 LKSAMIQNUJFLDQ-OAHLLOKOSA-N 442.371 5.524 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@@H](c1cccs1)C(C)(C)C 614072996 VJMVQMDRGVMSAM-NRFANRHFSA-N 440.638 5.112 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(SC)cc2)nnc1-c1ccc(F)cc1 619099384 YCLSYERYWFRBON-AWEZNQCLSA-N 428.558 5.111 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)cc1NC(=O)c1ccco1 645694054 XYTZPSLTOXEZJA-UHFFFAOYSA-N 426.497 5.554 30 20 IKED C=CCn1c(Sc2nnc(-c3ccccn3)s2)nnc1-c1ccc(C(C)(C)C)cc1 673424191 DXWNOCFONOIDCF-UHFFFAOYSA-N 434.594 5.493 30 20 IKED CC(F)(F)CCC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 679995390 TUFHBYBRUNSBLZ-NSHDSACASA-N 431.245 5.879 30 20 IKED N#C[C@@H](C(=O)c1cccn1Cc1ccncc1)c1nc2cc(C(F)(F)F)ccc2s1 726322614 NFODYYDZODAKEJ-HNNXBMFYSA-N 426.423 5.050 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=S)NCc2cccc(C(F)(F)F)c2)cc1 726474421 DYIHALNEPKESBU-UHFFFAOYSA-N 433.499 5.006 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C(C)(C)C)cc2)[n+]2ccc(CC)cc2)c1 726572868 QEJNXXWTGKCATC-UHFFFAOYSA-O 441.620 6.139 30 20 IKED CC(=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc2ccccc2c1O 727058066 DYYVASXWJASRDX-UHFFFAOYSA-N 431.517 5.182 30 20 IKED O=C1/C(=C/c2ccc(N3CCOCC3)c(F)c2)CCc2nc(-c3ccc(F)cc3)sc21 727685166 CCOJIIDAROSAJF-GHRIWEEISA-N 438.499 5.137 30 20 IKED COc1c(O)cccc1/C=C\C(=O)c1sc(-c2ccc(Br)cc2)nc1C 727781000 ZNLBFGGUVLUAKK-FLIBITNWSA-N 430.323 5.491 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1sc2cc(C)ccc2c1Cl 729188442 NCZPOJWCKVBQCI-ZDUSSCGKSA-N 447.343 5.795 30 20 IKED Cc1ccc(Oc2ccccc2NC(=O)COC(=O)c2cc3ccccc3n2CC#N)cc1 729767497 KSJGCSRNMAQACW-UHFFFAOYSA-N 439.471 5.061 30 20 IKED CC[C@@H](Oc1ccccc1C(C)C)C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 730073775 SSRUMQLSGWPHAO-RBBKRZOGSA-N 434.561 5.976 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 730376604 ZJYPNEIQXXWVRQ-UHFFFAOYSA-N 446.478 5.717 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)/C=C/c1ccc(Br)cc1 731340805 SIVSZTRWHDHXOW-CMPYXILNSA-N 437.384 5.256 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)c1 733773347 ZMNKVTAGCXHSNK-AWEZNQCLSA-N 433.455 5.235 30 20 IKED CC(=O)N(c1nc(/C=C2/CCc3nc(-c4ccc(C)cc4)sc3C2=O)cs1)C1CC1 734304475 KQOSRIAFFSDXEP-WJDWOHSUSA-N 435.574 5.303 30 20 IKED COc1cc2cc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)[nH]c2cc1OC 735770081 QSGQJISCGLTSRL-GFCCVEGCSA-N 445.422 5.304 30 20 IKED O=C(/C=C\c1ccc(F)c(Br)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1 741447781 PJUMXYOAIRTPJW-SDQBBNPISA-N 437.330 5.201 30 20 IKED COc1ccc(/C=C(\C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cc1C#N 741846717 BJPUQGOYDGAQOK-STZFKDTASA-N 444.918 5.742 30 20 IKED N#CCOc1ccc(CC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCCC2)cc1 741969405 ZMODCQZNUODGRB-UHFFFAOYSA-N 430.470 5.169 30 20 IKED C[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1C(F)(F)F 744031401 VZBGMSNUAYUDDW-GWCFXTLKSA-N 429.225 5.463 30 20 IKED CCOc1cc(/C=C(/C(=O)Nc2c(CC)cccc2CC)C(=O)c2ccccc2)ccc1O 747150270 MQZFQKXXVVGNAK-HAVVHWLPSA-N 443.543 5.821 30 20 IKED CCOCCCn1c(NN=C(C)[C@H](C)c2nc3ccccc3s2)nc2ccccc2c1=O 748780591 LWXLQNVBXALDHL-INIZCTEOSA-N 449.580 5.024 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)Nc2cccc(OCC#N)c2)nc1-c1ccccc1 748936528 KGTDZGJXACBPPO-OAQYLSRUSA-N 430.508 5.736 30 20 IKED N#CCSc1ccccc1C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 749622937 TUWLOFXEYWYQET-UHFFFAOYSA-N 440.322 5.504 30 20 IKED C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC(c2nc(C(C)(C)C)cs2)CC1 750061259 JFNBDDCAOOREGQ-AWEZNQCLSA-N 442.654 5.069 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3cc(C4CC4)nc4ccc(Cl)cc34)o2)cc1 751723491 DMMYOHOWADYFRN-UHFFFAOYSA-N 430.851 5.044 30 20 IKED C[C@H](ON=CC(=O)Nc1ccccc1Cl)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 760429328 MDNULWDDTUAINU-JTQLQIEISA-N 439.686 5.399 30 20 IKED CC(C)(C)OC(=O)N1CCc2cc(NCc3cn(CCC#N)nc3-c3ccccc3)ccc21 770543435 HOTUZABKBRIXBX-UHFFFAOYSA-N 443.551 5.373 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCCC[C@@H]2c2cccc(Cl)c2)cc1C#N 770611188 KAQGIYDVYLEBBW-HXUWFJFHSA-N 426.904 5.539 30 20 IKED CCCN(C(=O)c1ccccc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C(C)C 771529425 ZDYMAZFZSRYLNY-LADGPHEKSA-N 432.568 5.251 30 20 IKED Cc1ncsc1/C=C\C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 776783718 SZZMVPKCHZWWBS-PLNGDYQASA-N 434.468 5.041 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(C#N)cc2Cl)cs1 788361196 WQWIIYKVFXCBGN-UITAMQMPSA-N 425.872 5.388 30 20 IKED N#C[C@H](NC(=O)c1cc(C(F)(F)F)cnc1Cl)c1ccc(OCc2ccccc2)cc1 790966090 YDUKURPDNYNXDZ-IBGZPJMESA-N 445.828 5.327 30 20 IKED Cc1ccc(-n2nc(C)c(CC(=O)[C@@H](C#N)c3nccc4ccccc34)c2C)cc1Cl 792093610 KCOGUQRPUALQQY-JOCHJYFZSA-N 428.923 5.418 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)c1ccc(F)c(Br)c1 813063746 BTJGERWQIAYDKN-IUODEOHRSA-N 444.329 5.477 30 20 IKED C=CCN1C(=O)c2ccccc2N[C@H]1c1cc(Br)c([C@@H](C)OCOC)cc1F 877843216 JQDQZSYSBAFQJJ-ZUOKHONESA-N 449.320 5.022 30 20 IKED CC(C)(C)OC(=O)N[C@H](CCCCC#N)c1nc(-c2ccc(-c3ccccc3)cc2)no1 904549757 UKWNMWDQRCVSMN-OAQYLSRUSA-N 432.524 6.053 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 914839290 ZGTQAWHQBZLWMY-UHFFFAOYSA-N 434.879 5.390 30 20 IKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cnn1-c1ccc(Cl)cc1 915085865 PFUPLAJDYOMYDJ-HSZRJFAPSA-N 426.907 5.742 30 20 IKED Cc1ccc(Nc2nc(Cl)c(C=Nn3c(C)nc4ccccc4c3=O)s2)cc1Cl 916541915 NLYGCYLAAMTIOA-UHFFFAOYSA-N 444.347 5.402 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C3SCCCS3)cc2)cc1 916955629 SJBPIUAWFSWZLP-IERDGZPVSA-N 438.618 6.030 30 20 IKED Cc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1C 917044958 WFJOLRGOFVJXIX-MRXNPFEDSA-N 430.451 5.771 30 20 IKED CC(=O)Nc1ccc(S[C@H](C)C(=O)N2CCSC2=Nc2cccc(Cl)c2C)cc1 917564514 DERYOTSXTPUDHH-CQSZACIVSA-N 448.013 5.351 30 20 IKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccsc2)c1 917668832 HMFUEPVDMMISKZ-FQEVSTJZSA-N 435.574 5.217 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1sc2c(c1C#N)CCCCCC2 917782787 BMGGTQGACUJZSZ-UHFFFAOYSA-N 438.984 5.738 30 20 IKED C=CCN(C(=O)c1sc(N2CCCC2)nc1Cl)c1nc(-c2ccccc2)cs1 920754069 DEUWYEKLDJRUKA-UHFFFAOYSA-N 430.986 5.353 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4c3cnn4C)CCC2)cc1 1786103537 LHPXDUKZNVDUTK-UHFFFAOYSA-N 442.563 5.089 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc(C(F)F)no3)cc2)CCC1 1788308314 RVATZSHBZXCWMR-UHFFFAOYSA-N 431.483 5.352 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(F)c(F)cc4[nH]3)cc2)CCC1 1789231477 LWDAKTSPDSEHMX-UHFFFAOYSA-N 449.501 5.387 30 20 IKED Cc1occc1C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790081780 LDUXBEFQWNXDIB-UHFFFAOYSA-N 433.895 5.175 30 20 IKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)s1 1790703680 ZAOHOPKREJCAFQ-UHFFFAOYSA-N 429.545 5.184 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccco4)CCC3)cc2)c1 1792122964 FZMFBIRDOUCDLQ-JXOMPUQVSA-N 439.515 5.368 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3cnccc23)n[nH]1 1819126448 WWLRXGCNMWZKAL-QFIPXVFZSA-N 445.567 5.256 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3[nH]c(C)cc3c2)CC1 1824143974 YENRSLLYTFZWOJ-AREMUKBSSA-N 447.623 5.478 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CSc2ccccc2)CC1 1826519800 ATYQSZJPNDKHAR-ZEQRLZLVSA-N 440.653 5.167 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc(C(C)C)cs2)CC1 1828821424 NIDWAMGOOHTRFV-UNMCSNQZSA-N 443.657 5.268 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](F)c2ccccc2)CC1 1829068136 GWZIGUKXGKDPDA-DHIUTWEWSA-N 428.592 5.309 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)cccc2Cl)CC1 1830599064 VPLBPJUVJAMYBW-IBGZPJMESA-N 438.946 5.093 30 20 IKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(C)CCCCC3)CC2)c1 1830770575 BZOSRRMRDZIZEV-DEOSSOPVSA-N 435.612 5.070 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc3ccccc3o2)CC1 1830848695 KFWPLRZPAADIKR-NRFANRHFSA-N 437.584 5.054 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832629358 OBSMUQZTQVCUER-QFQXNSOFSA-N 447.623 5.315 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)Nc1ccc(C(C)C)cc1 11264564 LALGVPHILDXSOJ-UHFFFAOYSA-O 445.652 6.834 30 20 IKED Cc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)Nc1ccc(C#N)cc1 14736174 USOSEKFGCXCRQT-UHFFFAOYSA-N 435.483 5.290 30 20 IKED N#CCC[C@H](C#N)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 15239577 XYKIPXPJOOYMCH-CQSZACIVSA-N 428.348 5.777 30 20 IKED C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)Nc1ccc(C#N)c(Cl)c1 18588900 UWSMKTOWJUZKMI-ZDUSSCGKSA-N 440.956 5.678 30 20 IKED Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1ccc(Cl)cc1)[n+]1cccc(CO)c1 20887825 YFHVOQSNZDENPO-UHFFFAOYSA-O 446.379 5.133 30 20 IKED Cc1ccc(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2cccc(CO)c2)s1 22728694 IZYXUIKCQVSUOW-UHFFFAOYSA-O 425.599 5.011 30 20 IKED Cc1ccc(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2ccc(N(C)C)cc2)s1 22728698 RWFFJNDCDRRGQX-UHFFFAOYSA-O 438.642 5.584 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1sc(-c2ccc(F)cc2)nc1C 27000293 BDOFQRFJEHEJRD-HNNXBMFYSA-N 444.553 5.079 30 20 IKED CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)[C@@H](C)Oc2ccccc2C#N)c1 29981633 OJSMZBSIWAJAAA-VQTJNVASSA-N 441.531 5.074 30 20 IKED Cc1nc(C(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCCCC2)ccc1C#N 31886847 FITZORPSJZJQTQ-UHFFFAOYSA-N 444.560 5.177 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3ccc(CN4CCCCC4)cc3)c2)c1 60961563 AEKUPLZVYKCQRR-UHFFFAOYSA-N 425.576 5.413 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(N4CCOCC4)cc3)cc2Cl)cc1 63939329 TXFSWCSGJOLSLD-UHFFFAOYSA-N 433.895 5.093 30 20 IKED CC(C)CC(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 64532677 SHCYHYONNRJOTD-UHFFFAOYSA-N 442.519 5.657 30 20 IKED CCOc1cccc(/C=C2/CC(O)(C(F)(F)F)C/C(=C/c3cccc(OCC)c3)C2=O)c1 78815220 UFKQLUWTDJQQIR-YZLQMOBTSA-N 446.465 5.607 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N(CCC#N)CCC#N)cc12 104826721 BDTLGWQTIMSOLF-UHFFFAOYSA-N 446.363 5.031 30 20 IKED C[C@@H](OC(=O)c1[nH]c2ccccc2c1Cl)C(=O)Nc1sc2c(c1C#N)CCCCC2 107534496 OZTNXPVLFCHYMF-GFCCVEGCSA-N 441.940 5.207 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1OC 115345881 UYYRLROIUZTYNY-SFHVURJKSA-N 430.504 5.003 30 20 IKED C=CCOc1cccc(NC(=O)CCc2ncc(-c3ccccc3Br)o2)c1 195624803 MYZQHDDINZCAAE-UHFFFAOYSA-N 427.298 5.240 30 20 IKED N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccccc2SCc2cccs2)CC1 216587143 MSMYPOOPAQJZEU-JOCHJYFZSA-N 433.602 5.063 30 20 IKED Cc1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)cc1OCC1CCOCC1 237737317 GDTHIACTMRSEJG-UHFFFAOYSA-N 430.552 5.190 30 20 IKED CCCCn1c(S[C@H](C(N)=O)c2ccc(C#N)cc2)nc2cc(C(F)(F)F)ccc21 261481835 NEIAACXQWIJCDO-SFHVURJKSA-N 432.471 5.046 30 20 IKED Cc1nc(-c2ccc(CCNC(=O)c3ccccc3-c3ccccc3C#N)s2)cs1 302842992 IHRHGPLLSFPMCX-UHFFFAOYSA-N 429.570 5.691 30 20 IKED CCN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)[C@@H](C)Cc1ccc(OC)cc1 303604494 KLLRDNFFHPDRNH-FQEVSTJZSA-N 428.532 5.239 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(Br)c2c1OCCC2 426291093 LARQFIGNAWCBLH-ZDUSSCGKSA-N 431.355 5.278 30 20 IKED Cc1c(-c2nc(CC(=O)Nc3ccc(Cl)cc3Cl)no2)sc2ccc(C#N)cc12 426439478 IBCGXCPTOGYREF-UHFFFAOYSA-N 443.315 5.619 30 20 IKED C[C@@]12CCN(C(=O)Nc3cc(C(F)(F)F)ccc3SCC(F)(F)F)C[C@H]1C2(F)F 432967698 ZTKQGYNJLGOSNV-TZMCWYRMSA-N 448.379 5.869 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(c4ncc5n4CCCC5)CC3)c2)cc1 433229742 DWMBNNDZHKPURY-UHFFFAOYSA-N 441.535 5.295 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2O)n1 436993057 YDDIGGMLNOUYME-UHFFFAOYSA-N 449.576 5.443 30 20 IKED C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](c2ccc(F)cc2)O1 438023166 LCAYUZKFNPZCFZ-MZNJEOGPSA-N 431.467 5.484 30 20 IKED CC(C)(CO)[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1 438161972 APCCOBAIYQRVLS-XMMPIXPASA-N 444.600 5.383 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)NCc1cc(C#N)ccc1F 438290194 BRYUPJQPGCPTKW-UHFFFAOYSA-N 431.446 5.020 30 20 IKED CC(C)n1cnnc1-c1ccccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 439646163 NJBPKKXGMLVYLO-UHFFFAOYSA-N 437.503 5.229 30 20 IKED CCCc1c(NC(=O)N[C@H](c2ccccc2)c2ccncc2)cnn1-c1cccc(C#N)c1 439661825 IAWRZXCLNNTLJB-RUZDIDTESA-N 436.519 5.003 30 20 IKED CCCc1c(NC(=O)CS[C@H](C)c2nc3ccccc3[nH]2)cnn1-c1cccc(C#N)c1 440089393 RBJIJVHMQFZCOG-MRXNPFEDSA-N 444.564 5.006 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(-c4ccc(OC)cc4)s3)n2)cc1 442855327 BNVXLTINUOEAMM-GOSISDBHSA-N 447.541 5.441 30 20 IKED Cc1nn(C)c(C)c1[C@H](NCCC(C#N)(c1ccccc1)c1ccccc1)C(F)(F)F 444656225 CYRDVWVKMHLFAT-QFIPXVFZSA-N 426.486 5.130 30 20 IKED CO[C@@H]1CCOc2c(NC(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cccc21 448045444 RDQZNWQOFWJYAY-BXKMTCNYSA-N 427.504 5.578 30 20 IKED Cc1cc(C[C@@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)n(-c2ccccc2)n1 448354355 KBTMUDWAPTYIPO-MJGOQNOKSA-N 433.581 5.328 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CN1C(=O)CCCc2ccccc21 460154119 IEYMIOHWDYPYLS-UHFFFAOYSA-N 443.934 5.114 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(c2ccc(O)cc2)CC1 460779874 FPSIIKCFFWRZLU-DQEYMECFSA-N 444.579 5.189 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(c2ccccc2F)C2CCCC2)CC1 461539457 INEOWFZFQIDASG-UHFFFAOYSA-N 448.498 5.138 30 20 IKED C=CCN(Cc1cccs1)c1nnc([C@H]2CCO[C@@H]2C(C)(C)C)n1C[C@@H]1CCCCO1 461723862 FQMMFKNTCPBZDU-JBACZVJFSA-N 444.645 5.020 30 20 IKED CCc1ccc([C@@H](Nc2cc(C#N)c3ccccc3n2)c2cccc(S(C)(=O)=O)c2)cc1 462930001 AFZJMMUEDVCSCP-AREMUKBSSA-N 441.556 5.274 30 20 IKED N#CC1(c2ccc(C(=O)Nc3ccc(NC(=O)c4cccc(Cl)c4)c(F)c3)cc2)CC1 463547854 PCYNLPLJFYASFM-UHFFFAOYSA-N 433.870 5.539 30 20 IKED CSc1cccc([C@H](NC(=O)[C@H](C)Oc2ccccc2C#N)c2ccc(F)c(F)c2)c1 464114147 KEZHKCCOVGKENZ-WNSKOXEYSA-N 438.499 5.231 30 20 IKED CC(C)c1nnc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1 467918995 MLJGVACTTHQVDZ-QGZVFWFLSA-N 425.945 5.292 30 20 IKED COc1ccc(COc2cccc(F)c2)cc1NC(=O)c1cc(-c2cccc(C#N)c2)no1 469233155 KFJQWGBFDAJYDE-UHFFFAOYSA-N 443.434 5.192 30 20 IKED CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 470529112 XIIMSPLATLHODJ-NWDGAFQWSA-N 434.327 5.264 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(C(F)(F)F)ccc2F)cc1 471190430 GOGHOCMLJGCXPT-UHFFFAOYSA-N 428.385 5.742 30 20 IKED N#Cc1ccc(Oc2cccc(NCc3nnc(-c4ccc(Cl)cc4Cl)o3)c2)cc1 471668858 UCAFKUSTGWPJPJ-UHFFFAOYSA-N 437.286 6.319 30 20 IKED CC(=O)Nc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc(C(F)(F)F)c1 472381102 LJSLCKZBTMTRMF-AWEZNQCLSA-N 437.830 5.417 30 20 IKED Cc1nc(-c2ccccc2NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cs1 477711703 BERWQWPGFQRODR-UHFFFAOYSA-N 429.476 6.174 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)cc1 485233637 SBWJSDMITYSHGX-UHFFFAOYSA-N 431.458 5.463 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1CCCC[C@@H]1c1ncc[nH]1 486684409 ASWDUJMPAUDSIH-LJQANCHMSA-N 449.580 5.116 30 20 IKED C=C[C@@H]1CCCCN1C(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC 486768556 NUHIYHLXIKJXPY-LJQANCHMSA-N 437.540 5.309 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Oc4ccccc4F)nc3)cc2)nc1 487113889 GHNHDUVNZTUZOU-UHFFFAOYSA-N 426.407 5.324 30 20 IKED Cc1ccc([C@H](NC(=O)CSc2nc(C(F)(F)F)ccc2C#N)c2cccs2)cc1 488736344 QSOJIAFRAWJDBR-IBGZPJMESA-N 447.507 5.340 30 20 IKED N#Cc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)cc1 489223163 NPJHJZZLCAUPSB-QHCPKHFHSA-N 437.312 5.298 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C(=O)Nc3ccccc3F)C(C)C)o2)cc1 489816923 YUCGULJFRSJYDY-LJQANCHMSA-N 427.501 5.196 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(-c2noc(C(F)(F)F)n2)c1 490413217 LFFVXFGTRNGQOW-MSOLQXFVSA-N 441.413 5.059 30 20 IKED CC(C)Cn1ncc(C(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)c1C(F)F 499350768 OIRMYFITZFBLFU-CQSZACIVSA-N 441.347 5.112 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccnc(OCc2ccccc2)c1 499854559 ZWGKAWJFGUVROF-UHFFFAOYSA-N 427.957 5.273 30 20 IKED CCCN(C(=O)CCc1c(C)nc(O)c(C#N)c1C)[C@H](C)c1ccc(Cl)c(Cl)c1 502788675 IGUQMBYZARCSKB-OAHLLOKOSA-N 434.367 5.515 30 20 IKED CC1(C#N)CCN(C(=O)NCc2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)CC1 503984294 SZSJQSKVKBDYQB-UHFFFAOYSA-N 442.519 5.501 30 20 IKED Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)N(CCC#N)CC3CC3)cc12 505193290 IJKOLYLKYQFZSX-UHFFFAOYSA-N 447.391 5.527 30 20 IKED COc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc(C)cs3)c3ccccc3n2)cc1OC 505293667 LHUWBIUMNWTWGY-SFHVURJKSA-N 429.501 5.174 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2nc(-c3ccco3)oc2C)cc1 505703721 UYSHJUXEJQRLOH-UHFFFAOYSA-N 429.432 5.097 30 20 IKED Cc1ccc([C@@H](CNC(=O)c2ccccc2Sc2ccccc2C#N)N2CCCC2)o1 506375439 PJMXTQPBQCNBDG-OAQYLSRUSA-N 431.561 5.178 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2coc(-c3cccs3)n2)cc1 508267619 OQCAACCUOIDTQX-UHFFFAOYSA-N 446.488 5.397 30 20 IKED C=CCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 508474273 SMLJOXKOCUGXJX-NRFANRHFSA-N 449.917 5.050 30 20 IKED C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCC(OCc2ccccc2)CC1 508506263 PRHMZNQHVBHLAK-UHFFFAOYSA-N 434.609 5.250 30 20 IKED CCN(C(=O)c1ccc(OCc2cn3cccc(C)c3n2)cc1)[C@H](C)c1ccc(C#N)cc1 509564989 RJLCEOMFARGMRW-HXUWFJFHSA-N 438.531 5.317 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 510257252 PEKJHQZKASFWQE-UHFFFAOYSA-N 434.496 5.116 30 20 IKED O=C(NCc1ccc(C(F)(F)F)cc1)Nc1cccc(COCC(F)(F)C(F)F)c1 510408366 AKOYPOKSDVRGPS-UHFFFAOYSA-N 438.343 5.444 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2ccc(Br)s2)cc1 510809912 HMDRXDAFWMVWCX-UHFFFAOYSA-N 443.322 5.364 30 20 IKED Cc1cc(Sc2ccccc2)ccc1NC(=O)N1CCN(c2snc(C)c2C#N)CC1 514820465 RCQLHXMIFZGAFV-UHFFFAOYSA-N 449.605 5.137 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4[nH]c5c(c4c3)CCCC5)n2)cc1 516269934 FPQXSBTYMSTAQT-FQEVSTJZSA-N 427.529 5.669 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccccc2NCC(F)(F)F)cc1 518016463 MTAISOUYWPVVIB-UHFFFAOYSA-N 429.373 5.716 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCc3ccc(-c4ccccc4)[nH]3)c2)c1 518292523 KMMFXOKQSVCXPZ-UHFFFAOYSA-N 434.499 5.377 30 20 IKED Cc1ccc(-n2nc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c3c2CCC3)c(F)c1 518661257 WGLDDXVTFJDFHW-INIZCTEOSA-N 434.540 5.313 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(Cl)c2c(c1)OCO2 519430616 XEPUEAKONCIQTI-ZDUSSCGKSA-N 434.970 5.192 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NC[C@H]3CCCN(Cc4cccs4)C3)c2)cc1 520599909 QWXFTPOHRHNTGE-HXUWFJFHSA-N 446.576 5.446 30 20 IKED Cc1ccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)cc1NC(=O)c1ccncc1 520743645 GTNYTHWYXMDXEE-UHFFFAOYSA-N 431.495 5.294 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 520837547 ZQDJCELMTMSWMF-UHFFFAOYSA-N 448.426 5.213 30 20 IKED COc1ccccc1CN(C[C@H]1CCCO1)C(=O)Nc1ccccc1SC[C@H](C)C#N 520856978 ZRVSPPZQQZECIG-UYAOXDASSA-N 439.581 5.160 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2c(F)cccc2F)n1)c1nc2cc(Cl)ccc2s1 523959605 YZGMQHWBNJORKU-JTQLQIEISA-N 431.876 5.841 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 525002312 KTHDBDIRVJLYNK-UHFFFAOYSA-N 445.401 5.019 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)[C@H](c2cccc(C(F)(F)F)c2)N(CC)CC)cc1 531043068 DGKUPTAMTPHTRV-FQEVSTJZSA-N 448.489 5.035 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@H](COc3ccccc3Cl)C2)c1 532818547 HNDXQNLNOLDZLW-HNNXBMFYSA-N 435.858 5.136 30 20 IKED CCN(C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1ccc(C#N)c(Cl)c1 533674112 TYWQSEPXOOOXTE-UHFFFAOYSA-N 433.924 5.188 30 20 IKED CN1CCC[C@H](CNC(=O)c2ccccc2Oc2ccccc2C#N)[C@H]1c1cccs1 537557190 GSHJCBHKRNHPLB-DVECYGJZSA-N 431.561 5.225 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N(CCC(C)C)c1nnc(C)c2ccccc12 539003632 LSBNNBOYCFYGCD-UHFFFAOYSA-N 446.551 5.057 30 20 IKED C[C@@H](Nc1cccc(OCCCC#N)c1)c1cccc(OCc2cn3ccccc3n2)c1 539626360 GJJYMFMTJNAJPL-HXUWFJFHSA-N 426.520 5.769 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(C(=O)OC)cc3)n2)nnc1-c1ccc(C)cc1 541077139 MEIGLOXCKHSQII-UHFFFAOYSA-N 446.532 5.173 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)Nc2cccc(C(F)F)c2Cl)cc1 541673233 YUCHWGFEPCOHDN-UHFFFAOYSA-N 439.849 5.071 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCNC(=O)[C@H]2CC=CCC2)cc1Cl 546673021 YJTDLFZBGLECQR-UGKGYDQZSA-N 435.955 5.187 30 20 IKED C=CCNC(=O)c1cccc(-c2noc(Cc3csc(-c4ccccc4Cl)n3)n2)c1 547064238 DNHFZXNUENBQJA-UHFFFAOYSA-N 436.924 5.020 30 20 IKED Cc1ccc(C(=O)c2c(NC(=O)c3ccc(C#N)c(Cl)c3)sc3c2CCOC3)cc1 547960382 VIYPANATLLIUFW-UHFFFAOYSA-N 436.920 5.138 30 20 IKED C[C@H]1CN(Cc2ccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)C[C@@H](C)O1 554319447 BWRDLOIMTFEPAL-KHYOSLBOSA-N 439.968 5.049 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(OC2CCCC2)CC1 555288865 BVXSRYIHAJCENJ-SFHVURJKSA-N 428.552 5.061 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)c2c[nH]cc2-c2ccc(Cl)s2)CC1 558197838 JVWDKYNBQYMRES-UHFFFAOYSA-N 425.941 5.388 30 20 IKED CC(=O)N[C@@H](CC(=O)N(Cc1ccccc1)c1ccccc1C#N)c1ccc(Cl)cc1 561506915 QNAICHRPWFXSRA-QHCPKHFHSA-N 431.923 5.012 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 562184151 KYZOVNQGARKWTK-UHFFFAOYSA-N 429.568 5.617 30 20 IKED O=C(NCc1ncccc1F)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F 562403207 GUKCHUOWMPFVIU-UHFFFAOYSA-N 427.345 5.216 30 20 IKED COCc1nc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c(-c2ccccc2)s1 562510985 CAEKHMWYBYCHHF-UHFFFAOYSA-N 432.530 5.204 30 20 IKED CCN([C@H](c1ccc(C(C)C)cc1)c1cccnc1)S(=O)(=O)Cc1ccc(C#N)cc1 566848147 MSPWFCKFFSHUCY-RUZDIDTESA-N 433.577 5.018 30 20 IKED C[C@@H](c1ccccc1)n1c(Sc2ccc(C#N)c([N+](=O)[O-])c2)nnc1-c1ccccc1 567530934 SPLJVQQPVLOIMK-INIZCTEOSA-N 427.489 5.485 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@H](c4ccc(F)cc4)CC3)cc2)ccn1 571249608 MGFHNYCNGGXCRN-SFHVURJKSA-N 430.483 5.686 30 20 IKED Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)COc1ccc(C#N)cc1 576511189 OMBOYIRMMUNOCQ-UHFFFAOYSA-N 442.494 5.621 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@@H](c2ccccc2)c2ccccc21 582944565 ZAZPQNXXOGQKHW-RXVVDRJESA-N 441.556 5.198 30 20 IKED N#CCCCCCC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 588251650 YAQWVSVGVLXLIC-IBGZPJMESA-N 428.363 6.197 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1cccc(C(F)(F)F)c1 589362430 BKAPMOYQQKHXLT-AWEZNQCLSA-N 426.398 5.647 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2ccccc2C(F)(F)F)cc1 589722541 BYQGBNAABRQUPI-HXUWFJFHSA-N 431.458 5.380 30 20 IKED Cc1occc1-c1nnc(SCc2cn3ccccc3c2C#N)n1Cc1ccccc1 589957922 XRQSRBKNSKIUPL-UHFFFAOYSA-N 425.517 5.312 30 20 IKED O=C(NCc1nccn1CC(F)(F)F)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 590048398 BHQJSSFACWEDER-UHFFFAOYSA-N 445.338 5.200 30 20 IKED COc1cccc(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1OC 603829085 VJZTWHMMCMSOSN-OAQYLSRUSA-N 449.938 5.377 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)CSc1nnc(-c2ccc(F)cc2)o1 603969121 FCRFZIKLDVUOIA-UHFFFAOYSA-N 436.493 5.207 30 20 IKED CCOC(=O)CC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 604089479 BFGPQZPGMOFTFZ-UHFFFAOYSA-N 441.915 5.201 30 20 IKED CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@H](C)c1cc2ccccc2o1 604362168 PRCBALBLEHJSQX-QGZVFWFLSA-N 426.476 6.107 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 608874485 CGOBFZWFEXAWIX-UHFFFAOYSA-N 434.377 5.546 30 20 IKED Cc1csc(CCCCNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n1 608919342 NPXWNABPGRVLNC-UHFFFAOYSA-N 436.556 5.197 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCCN1CCC[C@H](C)C1 609079190 OCQNZHPXCPJLSK-FQEVSTJZSA-N 434.584 5.079 30 20 IKED CCN(CC)c1nc2sc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2s1 609431346 LJFJKZSJELCRGB-ZDUSSCGKSA-N 430.624 5.851 30 20 IKED N#Cc1ccc([C@H](Nc2ccc(Oc3cc(Cl)ccc3Cl)c(F)c2)C(N)=O)cc1 609676639 YSBUVDXQUDBVBH-FQEVSTJZSA-N 430.266 5.435 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)cc1 609681901 CXCLFANRQBAFHP-GHTZIAJQSA-N 427.504 5.769 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609781047 MNWHZVSEXODJIB-UHFFFAOYSA-N 430.464 5.703 30 20 IKED CC(C)(C)OC(=O)CSCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 610152814 LFOIZFANLJMSEE-GOSISDBHSA-N 430.957 5.009 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2noc(-c3cccc(F)c3)n2)cc1Cl 610253877 DAKDTHHCRMYFQZ-IBGZPJMESA-N 432.842 5.437 30 20 IKED C[C@@H](NC(=O)Nc1ccnc(Oc2ccccc2Br)c1)c1cccc(C#N)c1 610328745 QFPWGUALTAJZKZ-CQSZACIVSA-N 437.297 5.391 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@H](c3cccc(F)c3)c3ccccn3)cn2)c1 611225990 UEWFWLLPMFWGRA-XMMPIXPASA-N 439.450 5.191 30 20 IKED N#C[C@@H](C(=O)c1ccc(C(F)(F)F)nc1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 613394369 YMAVHQFNNNXZTE-KQZSUJQPSA-N 431.483 5.515 30 20 IKED CC(C)(C)[C@H](NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1 618556637 DNYNZHZILPIQDG-UMVBOHGHSA-N 428.392 5.685 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 669949341 KXOCQQAHUFCTTE-CYBMUJFWSA-N 444.347 5.476 30 20 IKED O=C(c1ccc2noc(-c3ccc(F)cc3)c2c1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 676575697 IMUSUUPNOLGYHY-GASCZTMLSA-N 446.322 5.447 30 20 IKED O=C(N[C@H]1CCCOc2cc(F)ccc21)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 679028226 YDXADOQTXACODE-MDHDOXDCSA-N 442.375 5.248 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccccc2)[n+]2ccc(C(CC)CC)cc2)c1 726572456 GJLSBRYYNGFZEV-UHFFFAOYSA-O 427.593 6.182 30 20 IKED N#Cc1cnc2ccccc2c1OCCOC(=O)c1csc(-c2ccccc2Cl)n1 727634240 RTFDHUUJEPTXRL-UHFFFAOYSA-N 435.892 5.119 30 20 IKED O=C(/C=C\c1ccccc1OCc1ccccn1)c1ccccc1I 727780619 QJRSKBAKYHOUNT-SEYXRHQNSA-N 441.268 5.161 30 20 IKED N#C[C@@H](C(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1)c1ccc2ccccc2n1 730393784 BNLDNJMRTMGDIT-KBMIEXCESA-N 430.479 6.223 30 20 IKED CCCCCCn1nc(C(=O)Nc2ccccc2SCCC#N)c2ccccc2c1=O 730982192 KUTBXJAZMNXZHP-UHFFFAOYSA-N 434.565 5.235 30 20 IKED C#CCOc1ccc(NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)cc1 731013320 MECGNWNQWNBLTJ-UHFFFAOYSA-N 426.472 5.288 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)cc2)c1 731331592 KSYMNTWOJZIKTG-UHFFFAOYSA-N 438.237 5.274 30 20 IKED C=CCN(CC1CCCCC1)C(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1 732644452 TZFXFOMGEVVRBZ-WYMLVPIESA-N 438.568 5.487 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(Cl)nc(N2CCCC2)c1 732937657 JPMIKXBBTGGCMJ-UHFFFAOYSA-N 446.938 5.347 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)O[C@@H](C)c1sc(-c2ccccc2)nc1C 733071968 KCLRCMBOEOYQDG-KRWDZBQOSA-N 436.533 5.462 30 20 IKED Cc1cc(CC(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c(C)n1-c1ccc(Cl)cc1 734081812 SFKWHJLNZZVZGY-OAQYLSRUSA-N 446.963 5.685 30 20 IKED COc1cc2c(cc1NC(=O)[C@@H](C#N)c1nc3cc(F)ccc3s1)oc1ccccc12 734089076 GRDZEQSLYMIYAD-OAHLLOKOSA-N 431.448 5.589 30 20 IKED CN(C)C(=O)Sc1ccccc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 734323497 HAAVPLCTXOWNJF-UHFFFAOYSA-N 431.517 5.163 30 20 IKED CCN(CC)C(=O)[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1 734850079 UWXUMXZAJOSLIW-VWLOTQADSA-N 431.511 5.298 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)c3ccc(NC(=O)c4ccccc4)cc3)c2)s1 739599770 PMFXWLLMJYZSSW-UHFFFAOYSA-N 437.524 5.469 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Nc3cccc(C(=O)N4CCCCC4)c3)c2)s1 740438668 AMHBVARBCPCMRD-UHFFFAOYSA-N 444.560 5.235 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1 740454587 UTKOYTFQDKTWOC-GTPINHCMSA-N 432.590 5.038 30 20 IKED N#Cc1cccc(COc2ccc(NC(=S)N[C@@H]3CCOc4ccccc43)cc2Cl)c1 741486711 MLMBGSWWEHKYBI-OAQYLSRUSA-N 449.963 5.601 30 20 IKED Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(F)c1 741819869 NVRJZEGXIUPGMS-KRWDZBQOSA-N 448.519 5.482 30 20 IKED C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 741904360 XWCCCYOTFVUJQH-ZHRRBRCNSA-N 435.321 5.511 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 743152488 WTYXYFWBALVRLY-KURKYZTESA-N 446.617 5.143 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)c3ccc(Br)s3)n2)cc1 744061050 GMUIPVXOAVHDFW-SMDDNHRTSA-N 447.379 5.623 30 20 IKED Cc1cc(/C=C\C(=O)OCc2nnc(-c3cccc(C#N)c3)o2)c(C)n1C1CCCCC1 744611068 PQRXYAOJOQKCMU-QXMHVHEDSA-N 430.508 5.288 30 20 IKED CCc1cccc2c(C=Nn3c(S)nnc3COc3cc(C)ccc3C(C)C)c[nH]c12 744761653 MZAUHZSOSSTLSW-UHFFFAOYSA-N 433.581 5.504 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)c3ccccc3CSC3=NCCS3)c2)s1 747401702 CPGMVKQFJXNHGJ-UHFFFAOYSA-N 449.626 5.553 30 20 IKED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CC(=O)[C@@H](C#N)c1nc3cc(F)ccc3s1)C2 749032513 IWNNMPGGWNCDHM-YESZJQIVSA-N 443.544 5.180 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3c(Br)cccc3C2)cc1 750301364 FNMNFKGDZILQHD-JOCHJYFZSA-N 446.348 5.695 30 20 IKED N#C[C@@H](C(=O)/C=C\SCc1ccco1)c1nc(-c2ccc(Cl)cc2Cl)cs1 759835794 VRZRBDHWCSEUJB-PKYBCLHXSA-N 435.357 6.333 30 20 IKED N#CCc1ccccc1CC(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 776769805 IITUHWGAFXMFJA-QHCPKHFHSA-N 448.448 5.096 30 20 IKED O=C(/C=C\c1cc(Br)c(Cl)s1)c1c(F)cccc1N1CCOCC1 790219539 LXNLVVXLKCTWPM-PLNGDYQASA-N 430.726 5.036 30 20 IKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797571314 QIVSCSPRHJGCGS-SFHVURJKSA-N 431.565 5.062 30 20 IKED C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(c2c[nH]c3ccc(OC)cc23)CC1 800777809 SGGCPACTIPPHPR-UHFFFAOYSA-N 448.958 5.053 30 20 IKED N#Cc1ccc(C[C@@H](C#N)c2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)no2)cc1 809364297 UCSWJONECVUCOQ-IBGZPJMESA-N 437.415 5.159 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C1 809877447 MGRDNFPPRYPOEE-SAHWJRBASA-N 446.617 5.095 30 20 IKED CON=Cc1ccc(C(=O)N(Cc2ccccc2)[C@H](C)c2cccc(NC(C)=O)c2)cc1 841839051 LKRZTDKWYNMCLQ-LJQANCHMSA-N 429.520 5.029 30 20 IKED Cc1cc(CSc2ccccc2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)on1 915085085 FULZVGREKNCASZ-DEOSSOPVSA-N 439.540 6.183 30 20 IKED Cc1nn(CC(C)C)c(C)c1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915101998 PMLOTEUWDUFYEL-IBGZPJMESA-N 426.973 5.352 30 20 IKED CCOc1cc2c(cc1CNC(=O)Nc1ccc([C@@H](C#N)c3ccccc3)cc1)O[C@H](C)C2 915352840 NWTWZYBZMPXDMK-KOSHJBKYSA-N 441.531 5.386 30 20 IKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C)c1 916207534 GFJLXAAZLPISQO-GOSISDBHSA-N 447.482 5.160 30 20 IKED Sc1nnc(-c2ccccc2Cl)n1N=Cc1csc(-c2ccc(Cl)cc2)n1 916276567 BUSRBGLYLYUQHV-UHFFFAOYSA-N 432.361 5.546 30 20 IKED N#Cc1cccc(OCC(=O)C(c2nc3ccccc3s2)c2nc3ccccc3s2)c1 916844921 KANYABMPGYRZLC-UHFFFAOYSA-N 441.537 5.558 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)/C=C\c1cc(C)n(C2CCCCC2)c1C 916921797 BPMUXGDODDPJNW-MTVZPNFRSA-N 433.552 5.370 30 20 IKED Cc1nc(C(F)(F)F)ccc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 917425890 FREXZOKAOHFNFQ-KRWDZBQOSA-N 439.393 5.162 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@H](C)c3ccc(OC)cc3)cc2)CCC1 1786038791 PJTAYEZWWZWEIJ-QGZVFWFLSA-N 442.506 5.144 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccnc5ccccc45)cc3)CCC2)c1 1788891216 TVMWWOLGDPYQPF-UHFFFAOYSA-N 446.510 5.168 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cn4cc(F)ccc4n3)CCC2)cc1 1789626273 IFBAOAXHHVXVIA-UHFFFAOYSA-N 448.542 5.214 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc4cc[nH]c4cc3F)cc2)CCC1 1790070930 BJNQACUKZYBBTN-UHFFFAOYSA-N 431.511 5.248 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccsc4)CCC3)cc2)cc1 1790287786 VPEIMFGAKOKSMG-UHFFFAOYSA-N 429.545 5.000 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc(Br)cc3C)cc2)CCC1 1790629534 JGAJYOLDEQGRGY-UHFFFAOYSA-N 427.342 5.081 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCCSC4)CCC3)cc2)c1 1792124300 RTHSHZYETRUNCV-WIYYLYMNSA-N 447.604 5.205 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccncc1-c1cccc(C)c1)C2 1792571862 LWIMQJFVOUZEGU-NUNAXRQHSA-N 445.607 5.301 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/Sc1ccc(C)cc1 1798387799 OPMNHESTMWROJI-XJUNKJNUSA-N 426.626 5.231 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccccc3o2)[nH]n1 1819305288 HFXBVVUNVQKGKQ-UYAOXDASSA-N 432.524 5.230 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1819311199 PUVYJCUBNCBAAY-AAIMPIBUSA-N 445.567 5.111 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1823678165 JELMWWUJPOYMQF-HXOBKFHXSA-N 442.003 5.267 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cccc(O)c2)CC1 1829071128 PCDBZCGYDKYDOL-UWHSVAFCSA-N 438.612 5.018 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2c(F)cccc2F)CC1 1830074461 DRWCQRHMINPGEZ-HSZRJFAPSA-N 446.582 5.119 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccsc3[nH]2)CC1 1830883604 YJSHTSDHAJCDMG-NRFANRHFSA-N 441.641 5.455 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C(C)=C/c2cccnc2)CC1 1832193955 FNPIVJGQPLOHFG-CODHLFFDSA-N 437.628 5.097 30 20 IKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2C)CC1 1832703879 FEDYRWMVSMUHAA-JOCHJYFZSA-N 448.529 5.051 30 20 IKED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)C1 1845670807 ZKBNCWKUSBFQPC-UHFFFAOYSA-N 445.563 5.237 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccccc2OC)cc1 10118308 NSBYJGCTQVVBAC-UHFFFAOYSA-O 447.624 6.110 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2ccccc2)cc1 10170422 HFEICDHNGDETDE-UHFFFAOYSA-O 430.380 5.894 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2SC(F)F)nnc1-c1ccoc1C 21437982 AGIMQCMEWNUXBA-UHFFFAOYSA-N 436.509 5.078 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccc(N(C)C)cc2)cc1 22729387 DEFBADGDZGWLHY-UHFFFAOYSA-O 448.612 5.107 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)[nH]c1C)=C(/S)Nc1ccc(OC(F)F)cc1 23603960 HCAUYNPZXQXVCE-UHFFFAOYSA-O 444.527 5.134 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(Oc4cccnc4)cc3)c2)c1 63295509 RDWLPUMNFHYMLG-UHFFFAOYSA-N 434.455 5.250 30 20 IKED CCOc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c(C(F)(F)F)c1 64849038 VMELDHXUNHHCCJ-UHFFFAOYSA-N 440.421 5.807 30 20 IKED N#CCCCCSc1nnc(CNc2cccc(C(F)(F)F)c2)n1C1CCCCC1 215722176 MQBQPPWJYWLEIL-UHFFFAOYSA-N 437.535 6.200 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](CCCO)c1ccccc1 303829789 HDJOESUTBNKYEQ-RUZDIDTESA-N 429.520 5.081 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C3(c4cncc(Br)c4)CC3)cc2)cc1 409574526 GEARCUFRWLPWJK-UHFFFAOYSA-N 434.293 5.178 30 20 IKED CN(CC(C)(C)C#N)C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 432669668 MLGJUCXKAZOLDH-UHFFFAOYSA-N 436.409 5.110 30 20 IKED Cc1cc(Sc2ccccc2)ccc1NC(=O)C(=O)N[C@@H](CCC#N)c1ccccc1 439425817 SHCHTSRMPRPUGH-QHCPKHFHSA-N 429.545 5.246 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)c2nc(Cc3ccccc3)no2)cc1 439570156 LMMGBPKZNLFFSH-KRWDZBQOSA-N 426.476 5.506 30 20 IKED CN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCSc2ccc(Br)cc21 441321859 IGTREJNBULCWJA-QGZVFWFLSA-N 441.354 5.040 30 20 IKED CC1(C)CCC[C@@H]1N(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1SCCC#N 441997455 MYHDIMZGQIXTRK-QFIPXVFZSA-N 435.593 5.238 30 20 IKED Cc1nc([C@@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c2ccccc2F)no1 444398447 QLNJYXGCQLPJSU-QFIPXVFZSA-N 443.438 5.092 30 20 IKED Cc1nnc(-c2cccc(NC(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)c2)n1C 448350563 IMDDXNMYRNSXSY-UHFFFAOYSA-N 442.454 5.238 30 20 IKED C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 460376493 UFWVBMRYQAKSIT-UHFFFAOYSA-N 440.551 5.008 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[C@]2(CCCOC2)C1 460950804 SSNOQGHNVWGELI-FQRUVTKNSA-N 432.568 5.154 30 20 IKED COc1ccc(C2CCN(C(=O)c3ccc(OCc4ccccc4C#N)cc3)CC2)cc1 465380851 LBQRKSKXYMNNQL-UHFFFAOYSA-N 426.516 5.166 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1cc(F)ccc1F)c1ccccc1Cl 466256545 QXJIYLQJISRNFH-JOCHJYFZSA-N 425.866 5.421 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H](Cc2csc3ccccc23)C1 466417101 WHCLLHGATHGTSM-FQEVSTJZSA-N 434.609 5.042 30 20 IKED N#Cc1cccnc1Oc1ccccc1NCc1ncc(-c2cccc(Br)c2)o1 467272091 XPUVYVHOEYOXFI-UHFFFAOYSA-N 447.292 5.775 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H](c2cccc(F)c2)c2cccc(Cl)c2)cc1 468632412 OUTSBSVCDCRQMF-QFIPXVFZSA-N 449.913 5.125 30 20 IKED CCN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@@H]1CCN([C@H](C)c2ccccc2)C1 469204442 PFMHLGBFXVZZGQ-FYYLOGMGSA-N 428.580 5.243 30 20 IKED CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470566798 YXXXGZNQFFJABR-BKMJKUGQSA-N 444.579 5.351 30 20 IKED CC[C@H](C)c1ccc([C@@H](NC(=O)N2CCC(C#N)(COC)CC2)c2cccs2)cc1 476840543 BMLFLOVKQLHGMB-PGRDOPGGSA-N 425.598 5.313 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(CCC(F)(F)F)c3)CC2)c(F)c1 477165858 UEPWVMNHRLXKIF-UHFFFAOYSA-N 435.421 5.268 30 20 IKED C=C(C)[C@@H](NC(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1ccc(F)c(F)c1 480599769 FTCTZJJVWMBZRL-SLGOVJDISA-N 440.515 5.712 30 20 IKED N#Cc1ccc(Br)c(CNc2ccc(C(=O)N3CCCCC3)c(Cl)c2)c1 492352777 AZTPVGPRSDKEGD-UHFFFAOYSA-N 432.749 5.212 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1nc(CC)n(-c2c(Cl)cccc2Cl)n1 498447283 OYMSTGVEIUASDX-UHFFFAOYSA-N 442.350 5.061 30 20 IKED CN(C)[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccsc1 501521236 GFZMLJXDFXUSSR-IRLDBZIGSA-N 438.984 5.481 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N[C@H](c2nccs2)C(F)(F)F)cc1Cl 507602612 PCJISJMALAEKIP-MRXNPFEDSA-N 437.830 5.494 30 20 IKED CC(C)N(Cc1ccccc1F)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 509223565 HZSDOXRFOYAEPC-UHFFFAOYSA-N 431.511 5.913 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(N4CCCCCC4)nc3)n2)cc1 512488069 CVZDCNHUXASYMN-FQEVSTJZSA-N 432.549 5.084 30 20 IKED Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c1 513192029 YTIYHKZBLRLUCQ-HXUWFJFHSA-N 446.432 5.752 30 20 IKED C[C@@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)Nc1ccccc1Br 513195508 CVCFSJUAPIQBCQ-OAHLLOKOSA-N 436.309 5.552 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1C 513504139 AQWRTKMNSSAYAX-FQEVSTJZSA-N 444.501 5.275 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2nnc(-c3ccco3)s2)cc1 513987331 LDWQXVTVYYFISY-UHFFFAOYSA-N 433.468 5.043 30 20 IKED N#C[C@H](C(=O)c1cccc(OCc2cscn2)c1)c1nc2cc(Cl)ccc2s1 515539099 FSPVOJGIACICIZ-MRXNPFEDSA-N 425.922 5.475 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1ccc(Cl)cc1Cl 515850946 GXMCSACMMBMJFV-HNNXBMFYSA-N 425.429 5.653 30 20 IKED COCCOc1ccccc1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 516079785 OPQYZEBXBLAZTD-JOCHJYFZSA-N 449.938 5.342 30 20 IKED Cc1nc2ccccc2n1Cc1cc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)ccc1Cl 517666619 ZMPZRRROLZLEPF-INIZCTEOSA-N 444.922 5.324 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1)c1nc(-c2ccccc2)cs1 518260633 PGUTZGOTCKHWGD-INIZCTEOSA-N 445.525 5.195 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 521730642 PPGOBNDIXUAKSR-CQSZACIVSA-N 448.013 5.144 30 20 IKED Cn1c([C@@H]2CCCN2C(=O)c2cccc(COc3ccc(C#N)cc3)c2)nc2ccccc21 522410216 MPIDPLAUBDVVJX-VWLOTQADSA-N 436.515 5.001 30 20 IKED Cc1ccc(SCC(F)(F)F)c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1 522943097 SKVBFGFVLKFKKO-UHFFFAOYSA-N 446.450 5.945 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 523516484 IHGSVAYAMMVTED-IBGZPJMESA-N 447.535 5.692 30 20 IKED CC[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(OC)cc1 523535030 JAONMRBLGZVAIE-RUZDIDTESA-N 431.511 5.569 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCc1c(C)[nH]c2ccccc12 524438977 AKCHEYJISJTHLV-UHFFFAOYSA-N 438.531 5.600 30 20 IKED Cc1ccccc1[C@H]1CN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CCO1 525615327 QASOFHGWYJWPLH-XMMPIXPASA-N 432.907 5.526 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(Oc4cccc(Cl)c4)cc3)CC2)o1 527241135 KLIHIKGZUCHPNN-UHFFFAOYSA-N 436.899 5.156 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1cccc2ccncc12)c1ccc(C(F)(F)F)cc1 533541098 BOFAFGIRTPTBDZ-IBGZPJMESA-N 427.426 5.016 30 20 IKED CC[C@H](C)n1ncc(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1C1CC1 534230926 SDNQUNPZSLDRPS-INIZCTEOSA-N 442.523 5.499 30 20 IKED Cc1nc2sccn2c1CN(C)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 535596940 CMMXYCGUAOXJJP-UHFFFAOYSA-N 436.924 5.294 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 537626519 VSNNQBBTXVSBQY-SVBPBHIXSA-N 433.559 5.265 30 20 IKED Cc1cc([C@H](NC(=O)Nc2cc(C)n(CCC#N)n2)c2ccccc2Cl)ccc1F 538614795 KESPDMRPNILCHO-NRFANRHFSA-N 425.895 5.117 30 20 IKED Cc1nc([C@@H](NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c2ccc(Cl)cc2)no1 538894072 ZXGLETJIDGBAGI-QFIPXVFZSA-N 444.878 5.215 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(Sc3ccc(Cl)cc3)cc2)n1 539145270 DYTKMFBZVHGSCM-QGZVFWFLSA-N 442.949 5.614 30 20 IKED N#CC1(CCCSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)CCOCC1 539709055 KUJAZEMDDBFXPN-UHFFFAOYSA-N 428.945 5.373 30 20 IKED N#CC1(CCCN[C@H](c2cccc(F)c2)c2cccc(Br)c2)CCOCC1 539711003 WXFUQJRUSUVRAG-NRFANRHFSA-N 431.349 5.368 30 20 IKED CC(=O)N[C@H](C)CCc1ccc(C(=O)CSc2ccc(C#N)c(C(F)(F)F)c2)cc1 542003748 IOHLLLOFJINRMB-CQSZACIVSA-N 434.483 5.009 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N3CCCC[C@H]3c3cc4ccccc4[nH]3)n2)c(Cl)c1 542957479 OXCVPECBWBLMJQ-QFIPXVFZSA-N 444.926 5.638 30 20 IKED Fc1cccc([C@H](NCc2nc(-c3ccc(C(F)(F)F)cc3)no2)C(F)(F)F)c1F 543191968 OFSNGRZKBIAOPA-HNNXBMFYSA-N 437.290 5.427 30 20 IKED CC(C)c1ccc(OC2CCN(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)CC2)cc1 543765777 LLTNUZNUKPIKBY-UHFFFAOYSA-N 447.514 5.082 30 20 IKED N#Cc1ccc(Oc2cccc(-c3nc(-c4ccccc4CN4CCCC4=O)no3)c2)cc1 546984524 BMJIJCYRJHWILN-UHFFFAOYSA-N 436.471 5.190 30 20 IKED N#CCc1cccc(-c2nc(-c3ccccc3-c3ccc(CN4CCCC4=O)cc3)no2)c1 547027709 FIGKNRJLUVDIGB-UHFFFAOYSA-N 434.499 5.259 30 20 IKED C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1cccs1 549948017 GWWYOWMYQCLPJH-MRXNPFEDSA-N 441.988 5.311 30 20 IKED CC(C)c1ccc(CN2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)cc1 553320123 QUYSWCURBDXOBZ-FQEVSTJZSA-N 436.625 5.554 30 20 IKED C[C@@H](NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccc(C#N)cc1 556405234 UYRKJKFFICQTDE-VFNWGFHPSA-N 431.458 5.105 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Cl)cc3OCC(F)F)cc2)nc1 558296955 ZVCMZXKLOKKPJQ-UHFFFAOYSA-N 429.810 5.295 30 20 IKED N#Cc1ccc(CNc2cccc(CS(=O)(=O)C3CCCCC3)c2)c(C(F)(F)F)c1 564497209 POHZWLZHNGZUJQ-UHFFFAOYSA-N 436.499 5.437 30 20 IKED C=CC1CCN(c2nnc(COc3ccccc3-c3ccccc3)n2C[C@@H]2CCCO2)CC1 575005596 QKOSIYLQUCVYTF-QHCPKHFHSA-N 444.579 5.106 30 20 IKED N#C[C@@H](C(=O)c1ccc(OCC(F)(F)F)cn1)c1nc(-c2ccc(Cl)cc2)cs1 579915826 XWNUDZAPTBFXOO-AWEZNQCLSA-N 437.830 5.290 30 20 IKED C=CCn1c(-c2cccc(OC)c2OC)nnc1N(C)[C@@H](C)c1sc(C(C)C)nc1C 581279357 ZBMPUCGOHXDFLG-INIZCTEOSA-N 441.601 5.234 30 20 IKED C[C@@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)c1ccccc1 602131638 UGTYKZGVQCHCSH-KRWDZBQOSA-N 432.907 5.638 30 20 IKED N#CCc1cccc(C(=O)N2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)c1 603738712 MZRUBBYKESJAEZ-UHFFFAOYSA-N 435.980 5.093 30 20 IKED CCN(C(=O)CCCOc1ccc(C#N)cc1OC)C(c1ccccc1)c1ccccc1 603739404 YWASAJDIOMXHLG-UHFFFAOYSA-N 428.532 5.364 30 20 IKED C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 604003795 WVJHKAJRUNGAMD-KOSHJBKYSA-N 439.515 5.178 30 20 IKED N#C[C@@H](Cc1ccccc1)Sc1nnc(COc2ccccc2Cl)n1-c1ccccc1 604039758 MNDDNNCXDZEMMS-HXUWFJFHSA-N 446.963 5.727 30 20 IKED N#Cc1cccc(CNC(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)c1 604127631 CGGOMLIANLIIND-NRFANRHFSA-N 438.300 5.049 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 604240751 WOECXGIUIHUUQN-LJQANCHMSA-N 442.544 5.211 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)cc1 608840684 DQAGGVOZEPLJJI-ILBGXUMGSA-N 443.503 5.401 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)[C@@H]3CCCCN3C(=O)c3cccs3)c2)cc1 609176372 GLODICNRNWDPHM-NRFANRHFSA-N 431.517 5.045 30 20 IKED N#Cc1ccccc1COc1cccc(/C=C2/CCn3c2nc2cc(Cl)ccc2c3=O)c1 609424832 YMESRBJIALTRJM-PDGQHHTCSA-N 439.902 5.445 30 20 IKED COc1cccc([C@@H](CNC(=O)Nc2ccccc2S[C@H](C)CC#N)N2CCCC2)c1 609438154 DDAXVMDCJJIRCB-XMSQKQJNSA-N 438.597 5.048 30 20 IKED Cc1ccc(OCc2ccc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)o2)c(C)c1 609460351 BGPALJATYJTLDP-IBGZPJMESA-N 428.410 5.489 30 20 IKED CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1 609642359 AJCJJKWWFRGBAX-IBGZPJMESA-N 441.531 5.052 30 20 IKED COc1cc(CSc2nnc(-c3ccccc3)o2)ccc1OCc1cccc(C#N)c1 609721938 HCXWICMKNATAJP-UHFFFAOYSA-N 429.501 5.488 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCS[C@H](c3ccccc3)C2)cc1Cl 609807224 HTDFULRSRPXMMF-UPVQGACJSA-N 447.991 6.317 30 20 IKED Cc1cc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)ccc1OC1CCOCC1 609980293 BWBRWYFRYRSTMJ-UHFFFAOYSA-N 442.515 5.256 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)c1ccc(-c2ccccc2OC)cc1 610189278 SNGKWAAZNWFLFV-IBGZPJMESA-N 444.531 5.279 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)c1C#N 611085193 GULDCUPDXQKJPZ-OAHLLOKOSA-N 441.984 5.137 30 20 IKED C[C@H](Oc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cn1)c1ccccc1 613407251 NFMPDEXUMCDAIB-KBXCAEBGSA-N 433.920 5.975 30 20 IKED N#C[C@H](C(=O)c1ccccc1NC(=O)c1ccsc1)c1nc2cc(Cl)ccc2s1 613407538 XXMVMXZKVJSDAB-OAHLLOKOSA-N 437.933 5.754 30 20 IKED Cc1nc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)sc1Cc1ccc(F)cc1F 618504482 OIUJNUKKPVQCKD-UHFFFAOYSA-N 438.286 5.751 30 20 IKED COc1cccc(-c2nnc(S[C@@H](C#N)c3ccc(Cl)cc3)n2Cc2ccco2)c1 619863744 OAAXNVDMLNSKPR-FQEVSTJZSA-N 436.924 5.605 30 20 IKED N#C[C@H](C(=O)c1cccc(OC[C@H]2CCCO2)c1)c1nc(-c2ccc(Cl)cc2)cs1 642281742 HQUFFBYRNDNSHZ-WOJBJXKFSA-N 438.936 5.511 30 20 IKED O=C(c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F)N1CCCC[C@@H]1C(F)F 669678492 REWZUALZZPIHKY-LLVKDONJSA-N 441.322 5.170 30 20 IKED FC(F)(F)c1ccn(-c2ccc(CN3C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C3)cc2)n1 678299435 XSFAAKPERQJORA-CHWSQXEVSA-N 431.302 5.064 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(OC(C)C)c(Cl)c3)n2)cc1 678324725 IPDAWCKIQRVJCQ-MRXNPFEDSA-N 427.913 5.144 30 20 IKED CCc1nnc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)s1 680079569 ZWHSHBBQEFQONV-LBPRGKRZSA-N 437.331 5.531 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(Br)c1F 683187319 SDKGUJQCPHGRPY-BRPSZJMVSA-N 436.165 5.228 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1)C(=O)Nc1ccccc1C#N 728061934 BPGLNYGVQXZOCM-INIZCTEOSA-N 439.437 5.595 30 20 IKED Cc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c(C)n1-c1ccc(C#N)cc1 728267674 PWUJXLIOHQJPRN-UHFFFAOYSA-N 433.471 5.277 30 20 IKED COc1ccc([C@H](Nc2snc(Cl)c2C#N)c2ccccc2)cc1Br 728569461 UOQBYZKMCBBARM-MRXNPFEDSA-N 434.746 5.641 30 20 IKED C[C@H](C#N)Oc1ccc(/C=C(/Cl)c2nc(O)c3cc(-c4ccccc4)sc3n2)cc1 728699216 CTIJDDQDFKBSCI-HIPSJFSSSA-N 433.920 6.092 30 20 IKED COc1ccc(/C=C/C(=O)c2ccc(OC(F)F)cc2OC(F)F)c(Cl)c1OC 730434581 ODUALQQARWQEQN-XVNBXDOJSA-N 434.769 5.456 30 20 IKED C#CCOc1cccc(NC(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)c1 730979249 DWVXRNHKXFOYJW-OAHLLOKOSA-N 426.925 5.267 30 20 IKED COc1ccc(CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)[C@@H](C)C2CC2)cc1 731280304 IWWIBKUMRHGVFJ-CCLHPLFOSA-N 439.559 6.183 30 20 IKED FC(F)(F)c1cc(NN=Cc2csc(-c3cccs3)n2)nc(-c2ccccn2)n1 733081069 MCVZKAAOJKSKFV-UHFFFAOYSA-N 432.456 5.188 30 20 IKED C=CC[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1ccncc1 734459830 LHYMGDCYVIUDCX-HXUWFJFHSA-N 428.467 5.349 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cccc(Cl)c2Cl)cs1 734979827 FFCFRNWGFGKMET-JXMROGBWSA-N 435.307 6.170 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2C[C@H](c3ccccc3C)C[C@@H]2C)c1=S 738053163 AHTIKNBZWZHGPQ-VQTJNVASSA-N 434.609 5.420 30 20 IKED O=C(COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2[N+](=O)[O-])cc1)Nc1ccccc1 739426280 SDKPWKPKTZVSSN-MDWZMJQESA-N 436.851 5.162 30 20 IKED CC(C)(C)OC(=O)NC1CCC(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 739803921 GRSSQIIGKOZXDG-UHFFFAOYSA-N 449.551 5.111 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)O[C@H](C)c1nnc(-c2cccc(C)c2)o1 740330054 ZGJHGXDFOQQXLT-CQSZACIVSA-N 432.398 5.547 30 20 IKED COc1ccc(Br)cc1S[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 741476851 URLAOOJIHGWKTR-OAHLLOKOSA-N 433.371 5.194 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)cc1 744033849 VYGGDZVTOXEWQN-HTAPYJJXSA-N 433.552 5.454 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC1CCN(c2ccccc2C#N)CC1 749529090 AQNGZOJSKYDKNW-UHFFFAOYSA-N 436.968 5.042 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1C#N 752296321 BHUQTYJSFYLDNP-HSZRJFAPSA-N 440.503 5.306 30 20 IKED C[C@H](ON=Cc1ccc(-n2cncn2)cc1)c1ncc(-c2ccc(Cl)cc2Cl)o1 753820925 FEDWSSYKYWXZEI-ZDUSSCGKSA-N 428.279 5.341 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(CCCO)[C@@H]2CCc3ccccc32)cc1 754437417 RCBRKIKCHNGTFJ-CLJLJLNGSA-N 425.532 5.246 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(-c3nnc(S)o3)cc2)cc1F 758809080 OHNSBFCKCOJMIT-UHFFFAOYSA-N 432.436 5.081 30 20 IKED C=C[C@H](CC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F)c1ccccc1 759867273 UKGXBNBNCWSXCL-OAHLLOKOSA-N 434.458 6.351 30 20 IKED CCN(C(=O)C[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H](C)c1ccc(C#N)cc1 763296906 FBRKUXUVLXNKOM-NNMXDRDESA-N 427.589 5.141 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(F)cc2N(C)C)cs1 764440949 DVINHGLGBBCWGN-XFFZJAGNSA-N 443.931 5.582 30 20 IKED COc1ccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1NC(=O)OC(C)(C)C 767846238 HYOYZFVVIHZFDG-UHFFFAOYSA-N 448.523 5.235 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(C(F)(F)F)ccc1Br 770529219 OVKQFXCRZSTFBF-UHFFFAOYSA-N 448.242 5.217 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN(CC(C)C)[C@@H]2CCCc3cccnc32)c1=S 774611502 JVAFVPFZRUVYPT-OAQYLSRUSA-N 434.613 5.050 30 20 IKED C=CCC[C@H](C(=O)OCc1nnc(-c2ccc(Br)s2)o1)c1ccccc1 778558834 GNOLRCXIIRTZRC-AWEZNQCLSA-N 433.327 5.354 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 779612711 INRLROSISOXXDQ-HXUWFJFHSA-N 434.471 5.037 30 20 IKED N#Cc1cc(Cl)ccc1COC(=O)CCc1ncc(-c2ccccc2Br)o1 780034992 IYPKNEGCTAZPNE-UHFFFAOYSA-N 445.700 5.305 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc(-c2ccccc2)nc2ccccc12 780305790 OEKYYVCCKZREKF-LJQANCHMSA-N 425.875 5.516 30 20 IKED Cc1cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c(C)n1-c1ccc(F)cc1 787521751 YSWMXKLSSGPJDK-UHFFFAOYSA-N 444.510 5.069 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(CCC)C1CCN(C(=O)OC(C)(C)C)CC1 789460861 WXZOCOGBKMFIMN-UHFFFAOYSA-N 443.632 6.182 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cccc2c1CCCN2C(=O)OC(C)(C)C 789887983 HPHRSEWOCNWEAG-UHFFFAOYSA-N 434.580 6.479 30 20 IKED O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)Nc1ccc(F)cc1OCC(F)(F)F 789978826 CHAQMLPCENBTKO-UHFFFAOYSA-N 430.707 5.015 30 20 IKED FC(F)(F)CCCCNC(=S)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 794990895 ZVZQVTAKAFATPH-LLVKDONJSA-N 426.348 5.506 30 20 IKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797570789 KPHUZGYDKZZNMJ-HNNXBMFYSA-N 430.371 5.412 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)c(C(F)(F)F)cc1F 804250735 QXEHAHNNABNPEP-JIGDXULJSA-N 443.256 5.623 30 20 IKED COC(=O)c1cnc(NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1C(F)(F)F 804344742 OYRBGUKYOJUJIZ-YUMQZZPRSA-N 438.290 5.208 30 20 IKED Cn1c([C@@H](C#N)C(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)nc2ccccc21 805845627 NZJHRUHALYDNFE-GHTZIAJQSA-N 446.551 5.042 30 20 IKED N#C[C@@H](C(=O)CCCCOc1ccc(Br)cc1)c1cc(C(F)(F)F)ccn1 813212848 GSVPBXFJTWBRAG-MRXNPFEDSA-N 441.247 5.288 30 20 IKED COc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2cccc(Cl)c2)s1 914692697 VUEJNXKENJHZHO-UHFFFAOYSA-N 426.954 5.507 30 20 IKED N#Cc1ccc(NCCNC(=O)c2oc3ccccc3c2CSC2CCCCC2)nc1 914859795 WHBJZQZHGJSTGH-UHFFFAOYSA-N 434.565 5.107 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(Cc4ccccc4)n3)n2)cc1 915100794 ZSTLZCXNASIMEP-FQEVSTJZSA-N 429.570 5.585 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc(-c2ccc(OC)cc2)nc1C 916902135 CMYZLMSUPKECPX-HXUWFJFHSA-N 447.560 5.213 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2sc(C)nc2-c2ccc(C)cc2)cc1 916914339 KMXNGVGVIKISER-JOCHJYFZSA-N 445.588 5.660 30 20 IKED N#C[C@H](C(=O)CSc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc2ccccc12 916917124 DZPSXHXFWPQBPE-GOSISDBHSA-N 428.435 5.298 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)n1Cc1ccccc1 916944863 ORSDCVZLQSOTBI-OAQYLSRUSA-N 440.330 5.421 30 20 IKED C=CCn1c(Sc2nn3cc(-c4ccccc4)nc3s2)nnc1-c1ccccc1F 917028955 ZSBVGMJYTIZPNK-UHFFFAOYSA-N 434.525 5.193 30 20 IKED COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC 917044296 SHIFYRMSRBNNGK-BOTMBNHJSA-N 432.423 5.222 30 20 IKED Cn1ccnc1COc1ccc(C(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)s2)cc1 917517263 CBQOBDILHWJYNJ-PKNBQFBNSA-N 445.500 5.532 30 20 IKED Cc1ccc(C)n1-c1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cnn1C 920109176 DQRKKQASSLGVNZ-QGZVFWFLSA-N 435.940 5.095 30 20 IKED Cc1ccc(C)c(OCCCCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 920806057 SCSIQTBLDIRWLW-QGZVFWFLSA-N 440.515 6.131 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3csc(-c4ccccc4)n3)cc2)CCC1 1788834256 AWLWKXUGCPLIOU-UHFFFAOYSA-N 444.560 5.108 30 20 IKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc3c2oc2ccccc23)c1 1801201859 PLUZDBJCDNTPHO-WKCHPHFGSA-N 449.510 5.023 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)Cc3ccc(F)cc3Cl)CC2)C1 1804859602 DFUFEIKALFJJAG-UHFFFAOYSA-N 449.010 5.245 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(F)cccc2Cl)[nH]n1 1819308033 TVOXTSBQVOPMPZ-BEFAXECRSA-N 444.938 5.277 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cc(C)ccc2C)[nH]n1 1819310332 YVDNDVAPGKAWKX-JTHBVZDNSA-N 434.584 5.030 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)C1 1828396777 HIUYJOWELXYUMB-SGNDLWITSA-N 441.015 5.029 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)(C)C)cc1)=C(/S)Nc1cccc(OC)c1 11260196 IXRICMYPEFDURO-UHFFFAOYSA-O 447.624 5.894 30 20 IKED N#Cc1ccc(-n2c(SCc3csc(-c4ccco4)n3)nc3ccccc3c2=O)cc1 25633869 KRQFKCDKRCPBQZ-UHFFFAOYSA-N 442.525 5.266 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1nc2ccccc2n1C(F)F 32785298 RNORFAZDPMSYRZ-OAHLLOKOSA-N 425.508 5.653 30 20 IKED C[C@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cccc2ccccc12 46699115 LMCJZKIJKIRUFK-KRWDZBQOSA-N 440.503 5.053 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccccc2Br)[n+]2ccccc2)cc1C 57460624 IFMWFYFRFGUCDA-UHFFFAOYSA-O 440.386 5.404 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)c1ccc(C(C)C)cc1 104598097 YGDNMFNEKHVTMW-UHFFFAOYSA-N 425.529 5.281 30 20 IKED N#CCCCOc1cccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c1 108294930 CMFNEKDQSUTWRU-UHFFFAOYSA-N 441.531 5.013 30 20 IKED N#C[C@H](C(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1nc(-c2ccncc2)cs1 195662615 SPQNZKSOGKGZFE-HXUWFJFHSA-N 430.533 5.214 30 20 IKED CCOc1cc(/C=C\C(=O)c2cnn(-c3ccc(F)cc3)c2C)cc(Br)c1O 214104942 CFTVYNWUNUMFPD-WTKPLQERSA-N 445.288 5.083 30 20 IKED C=CCn1c(SCC(=O)N[C@H](CC(C)C)c2ccccc2)nnc1-c1ccccc1F 216657331 ZJUANZKOMSCFEE-OAQYLSRUSA-N 438.572 5.266 30 20 IKED CN(Cc1ccccc1N1CCCC1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 303379185 VKGVGFGNQHWDIH-UHFFFAOYSA-N 426.520 5.615 30 20 IKED C[C@@H](NCc1cc(S(C)(=O)=O)ccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 409872942 XBUISYXDCZSXMC-SNVBAGLBSA-N 443.384 5.118 30 20 IKED COC(=O)c1nc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)sc1C1CC1 429497019 WZNHIIPUPIVPHI-UHFFFAOYSA-N 435.530 5.082 30 20 IKED Cn1cc(CN(Cc2ccc(Cl)cc2)Cc2cn(CCC#N)nc2-c2ccccc2)cn1 430769658 WXXLJIXEXJTSQU-UHFFFAOYSA-N 444.970 5.053 30 20 IKED CCN([C@H](c1ccc(Cl)cc1)c1cccnc1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 431890785 GRMWSRAZBUBKRU-OAQYLSRUSA-N 446.359 5.060 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)CCc1ccccc1)c1ccc(NC(=O)Nc2ccccc2)cc1 433221096 OSJGNDVHDLAOHQ-SIKLNZKXSA-N 426.520 5.280 30 20 IKED O=C(c1cc(Cl)cc(Br)c1F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 435866244 UQPIUXNJRSSMFT-UHFFFAOYSA-N 442.556 5.199 30 20 IKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H]1Oc2ccccc2[C@H]1C 438633638 ODPCVCCZZFEIJY-MVYHEMRASA-N 441.531 5.406 30 20 IKED C[C@@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)NCCc1c[nH]c2ccccc12 439660825 KHJUDTRECMSQOW-QGZVFWFLSA-N 442.494 5.130 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1nc2ccccc2s1 444454739 PLKDRAWCJNKTHB-ZDUSSCGKSA-N 428.391 5.945 30 20 IKED O=C(Cc1noc(-c2cccc(C(F)(F)F)c2F)n1)Nc1ccccc1C(F)(F)F 445421363 ZJNFAPUDOASLBN-UHFFFAOYSA-N 433.283 5.095 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N1CCCC[C@H]1c1cccc(Cl)c1 447361865 CAVSDJQBLYRKEU-IBGZPJMESA-N 427.957 5.038 30 20 IKED COCCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@H]1CCCSC1 448018978 SLIBNBSQMXSRDS-PZJWPPBQSA-N 444.000 5.371 30 20 IKED C[C@@H](CC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N)NC(=O)C1CCCCC1 460172704 NWIHBLYOYXBPRS-SFHVURJKSA-N 437.971 5.220 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)c1 460279963 AGOZZJPBQLTETD-UHFFFAOYSA-N 448.482 5.037 30 20 IKED C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC2(CCOCC2)[C@@H]1C 460574997 ODWPUWMBYXMTTQ-IBGZPJMESA-N 449.624 5.349 30 20 IKED C[C@H](NC(=O)N(C)CCOCc1ccc(C#N)cc1)c1ccc(-c2cccc(C#N)c2)cc1 460886665 WNGWLQOUADKOJB-FQEVSTJZSA-N 438.531 5.016 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCc1cc(Br)ccc1OC(F)F 462235507 VHYNVYLYBJHCRH-GFCCVEGCSA-N 427.314 6.057 30 20 IKED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1nc(-c2ccc(Cl)cc2)no1 468796121 BULAGOGGYXTFNO-OAHLLOKOSA-N 435.915 5.146 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCC1CCC(C(F)(F)F)CC1 471934780 CSIJWEKTALAURD-QQFBHYJXSA-N 430.561 6.121 30 20 IKED COc1cccc(C=C2CCN(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)c1 473020149 FZTKBWPETJSFAR-IBGZPJMESA-N 435.593 5.207 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2cc(Br)sc2Br)n1 474434533 RGBLGPOMPLVKHG-MRVPVSSYSA-N 434.178 5.343 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCCC(=O)Nc1cc(Cl)ccc1OC 475576596 ACNANJGBJDQIEZ-UHFFFAOYSA-N 429.948 5.351 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)C[C@@H](CC#N)c1ccccc1 476083532 INRDMVLBZKINNG-LJQANCHMSA-N 426.495 5.714 30 20 IKED N#CCSc1ccccc1NC(=O)CN1CC=C(c2ccccc2C(F)(F)F)CC1 478002073 LCAMCQHHFDOPTK-UHFFFAOYSA-N 431.483 5.049 30 20 IKED CN(C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1cc(Cl)ccc1C#N 479562872 LARIUUUPFUYUQW-UHFFFAOYSA-N 446.869 5.708 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nc3ccccc3n2C(F)F)c1 481057032 MSHBHGQMIQRKJZ-INIZCTEOSA-N 428.508 5.476 30 20 IKED N#Cc1cc(NC(=O)c2occc2CSc2ccccc2)ccc1OCC(F)(F)F 481921257 NUKSGTZZKNQLLA-UHFFFAOYSA-N 432.423 5.637 30 20 IKED O=C(N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)N(Cc1ccccc1)CC(F)F 482416621 RCFVLBIIOLUVOG-INIZCTEOSA-N 438.343 5.368 30 20 IKED C=CCN(CC1CCCCC1)C(=O)CSCc1nc(O)c2c3c(sc2n1)CCCC3 482882701 RYFUWHBUUBLOKA-UHFFFAOYSA-N 445.654 5.104 30 20 IKED Cc1cc(C)c(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1I 483439857 LJDBYBVXEPSHBQ-CYBMUJFWSA-N 432.286 5.008 30 20 IKED C=CCN(CC1CCCCC1)C(=O)NCc1ccc(Oc2c(OC)cccc2OC)nc1 483878894 YCTRKQGXCMPDCJ-UHFFFAOYSA-N 439.556 5.169 30 20 IKED COc1ccc(CCC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 487393215 WWEBPVHDOKKGJD-UHFFFAOYSA-N 445.466 5.204 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(Br)c(C(F)(F)F)c2)c1 494819553 AXWMEGXNOSYSQP-UHFFFAOYSA-N 435.146 5.193 30 20 IKED CCc1nc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)nn1-c1ccccc1Cl 499214905 YITSOPQYLWYLIM-GFCCVEGCSA-N 442.331 5.236 30 20 IKED C=CCOc1c(Br)cc(CNCc2ccc(F)cc2C(F)(F)F)cc1OC 500524688 CLSQGEVKJOHXPN-UHFFFAOYSA-N 448.254 5.470 30 20 IKED Cc1cc(F)cc2c1CN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)CC2 502161468 GFHUYESEUSQKRZ-UHFFFAOYSA-N 429.495 5.369 30 20 IKED Cc1ccc(-c2c(C)sc3nc(CSCCOc4cccc(C#N)c4)nc(O)c23)cc1 504427841 UXCVCXKGKCGEJP-UHFFFAOYSA-N 447.585 5.865 30 20 IKED COc1ccc([C@H]2C[C@H](NC(=O)c3ccccc3SCc3ccc(C#N)cc3)C2)cc1F 506307324 QYWAIHLTBFHTNC-MEMLXQNLSA-N 446.547 5.674 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CCCOc4ccccc43)c2)cc1 506323723 YYDNEVLKDSIFFJ-XMMPIXPASA-N 427.504 5.367 30 20 IKED N#CCC[C@H](C#N)CSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1 508401354 KHMDSJSOLVCRBA-OAHLLOKOSA-N 445.935 6.141 30 20 IKED C=CCn1c(-c2sccc2C)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 508490082 ARWYMGMZLNYAQZ-CYBMUJFWSA-N 439.532 5.360 30 20 IKED C=CCn1c(-c2cccc3ccccc23)nnc1N(C)Cc1nc([C@H](C)OCC(C)C)no1 508864817 QQZXHVAKPGGNNO-SFHVURJKSA-N 446.555 5.037 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCC(=O)c1ccc2c(c1)CCC2 509703442 XLLPFTUWXCFJGT-UHFFFAOYSA-N 425.488 5.144 30 20 IKED COc1ccc(-n2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)n2)cc1 512198663 UDFNDNXSQVXUBZ-QFIPXVFZSA-N 442.906 5.442 30 20 IKED CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(Cl)s1 513017282 JHCINGJXSJJBJL-GOSISDBHSA-N 439.924 5.271 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1Cl 514515168 JDTWAJCEWWIXED-UGKGYDQZSA-N 443.934 5.525 30 20 IKED C=CCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1nc(-c2ccccc2)cs1 518378192 WBVUYDDROYCDGU-UHFFFAOYSA-N 438.512 5.702 30 20 IKED Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 519029656 OHDOQJZTDXFFOU-UHFFFAOYSA-N 426.451 5.545 30 20 IKED CC(C)CN(CCc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 519055553 LANKFGUPVGEOJU-UHFFFAOYSA-N 441.575 6.064 30 20 IKED Cc1nc(-c2ccc([C@@H](C)NC(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)cs1 520195865 OOVJDGLVKLKINK-JKSUJKDBSA-N 436.606 6.396 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(Oc3cnccn3)c2)cc1Cl 522950675 QVZWCHRCYCPZGS-JOCHJYFZSA-N 440.890 5.830 30 20 IKED C[C@H]1C[C@H](N(C)C(=O)Nc2ccccc2SC[C@H](C)C#N)CCN1Cc1ccccc1 523454986 ZUMZHFBLQKCRCG-RZUBCFFCSA-N 436.625 5.455 30 20 IKED COc1cc(CSc2nnc(Cc3cccs3)o2)ccc1OCc1cccc(C#N)c1 523932300 KMXXLTGRMYSBMT-UHFFFAOYSA-N 449.557 5.473 30 20 IKED CC[C@@H](C)[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(Cl)cc1 525090843 KZUQPFAHVUKNAK-HOYKHHGWSA-N 425.960 5.270 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCSc1ccc2c(c1)OCCCO2 525456565 VWWVPKGVIBASRW-INIZCTEOSA-N 428.579 5.221 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(Br)cc1 530986383 QMCUUUNTUKYMLN-KXBFYZLASA-N 444.398 6.212 30 20 IKED N#Cc1cc(F)c(C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c(F)c1 531031761 ZTZJGNQSFBKCLT-UHFFFAOYSA-N 432.257 5.381 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)o1 531761179 WPFYFWLOTANMAF-CYBMUJFWSA-N 444.969 5.515 30 20 IKED CCCC(=O)Nc1cccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1C 534140425 UFDTZSAGUYYEDF-UHFFFAOYSA-N 447.922 6.303 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cnc(-c2cccnc2)s1 535587409 JTGCOBGPHASJTD-UHFFFAOYSA-N 428.492 5.371 30 20 IKED C=CCn1c(SCc2ncc(-c3ccccc3C)o2)nnc1[C@@H]1COc2ccccc2O1 536019902 YEULDRRJEVLIAK-NRFANRHFSA-N 446.532 5.232 30 20 IKED Cc1nc([C@@H](NCc2cccc(OCc3ccccc3C#N)c2)c2ccc(Cl)cc2)no1 539547992 GFTZBPWIYKROTJ-DEOSSOPVSA-N 444.922 5.361 30 20 IKED CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 540398029 KXRAXJCIJKDTME-UHFFFAOYSA-N 439.415 5.160 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(C)s2)nc2scc(-c3cccs3)c2c1=O 541409594 YRDFLJMLZTXJIQ-SNVBAGLBSA-N 432.621 5.386 30 20 IKED C[C@H](NC(=O)N[C@H]1CCOC2(CCSCC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 542079138 WTHSRHYRQNSVGC-MBSDFSHPSA-N 435.593 5.030 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(CN(Cc2ccc(C#N)cc2)C2CC2)cs1 542241935 DXIZMIYIBGYLDK-UHFFFAOYSA-N 436.968 5.517 30 20 IKED CC(C)Cc1noc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1 543052738 QPZMAKPWPNYWHA-CQSZACIVSA-N 449.317 5.699 30 20 IKED O=C(c1c(F)cc(F)cc1F)C1CCN(Cc2c(F)cccc2OC(F)(F)F)CC1 551559563 TUGHXZBUZTZKOS-UHFFFAOYSA-N 435.339 5.237 30 20 IKED N#Cc1cc(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cnc1C(F)(F)F 555159806 FJKBVRHMEHHQIL-LJQANCHMSA-N 434.421 5.015 30 20 IKED C=CCn1c(SCC(=O)c2ccc(C(F)(F)F)cc2)nnc1-c1ccccc1OC 557286847 UCXOLRYAKYQQOE-UHFFFAOYSA-N 433.455 5.134 30 20 IKED CC(C)(c1ccc(Br)cc1)c1noc(-c2cnc(C(F)(F)F)c(C#N)c2)n1 559978987 KKEWRYTUZAPUQO-UHFFFAOYSA-N 437.219 5.110 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(CN4CCCCC4)cc3)n2)cc1 560523938 IEADTSSPHKFYIU-JOCHJYFZSA-N 426.545 5.158 30 20 IKED CC(C)(C)c1cc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)c(C#N)s1 560986593 MJHVWIGLEOASCZ-UHFFFAOYSA-N 448.573 5.851 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(Cc1ccco1)Cc1ccco1 564378104 NJQVVOBYEYGYAD-GOTSBHOMSA-N 430.508 5.102 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1)[C@H]1C[C@@H]1C 566379956 XGWAAUYXJSXDJI-BVZFJXPGSA-N 439.515 5.151 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](c2ccccc2OC)C1 573745165 JPPRAGATDOBSKL-RBUKOAKNSA-N 436.531 5.136 30 20 IKED CC[C@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)N(C)Cc1ccccc1 576245063 LTERLTKULQBDBQ-AREMUKBSSA-N 427.548 5.181 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N3CCCC[C@H]3c3nnc(C4CCC4)o3)c2)cc1 580264603 GMSPUPLQWGVELE-QFIPXVFZSA-N 427.508 5.320 30 20 IKED C[C@@H]1CCCN1C(=O)c1ccc(-c2noc(-c3cn(CCCC#N)c4ccccc34)n2)cc1 584138768 BJMFMQSNWXHTOP-GOSISDBHSA-N 439.519 5.287 30 20 IKED C[C@@H](Sc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1sc2c(c1C#N)CCC2 598951943 XAEKMJJGAXLXQC-LLVKDONJSA-N 429.954 5.536 30 20 IKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 604521332 YAFYTCMVLACTIH-GGAORHGYSA-N 446.576 5.237 30 20 IKED FC(F)(F)c1ccc(-c2noc(CN3CCC(C(F)(F)F)(C(F)(F)F)C3)n2)cc1 605000600 JVIHCIFDWCYXRI-UHFFFAOYSA-N 433.274 5.072 30 20 IKED C=CCCCN(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 605677165 PGBAUFBTEMJCKE-SANMLTNESA-N 439.559 5.087 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1n[nH]c(-c2ccccc2)c1Br 609430508 JNJPCQBSENQNRM-CYBMUJFWSA-N 441.354 5.486 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(-c2ccncc2)cc1 610095160 FYNXATXYIUUGND-UHFFFAOYSA-N 448.526 5.829 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1OC1CCCCC1 610171670 RDBNMKDZALVRQX-UHFFFAOYSA-N 427.504 6.018 30 20 IKED N#CCC[C@H](NC(=O)N1CCc2[nH]c3c(Br)cccc3c2C1)c1ccccc1 610972621 HTFOWACEAGMETE-IBGZPJMESA-N 437.341 5.043 30 20 IKED CC(C)Oc1cc(CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C2CC2)ccn1 611041529 JXCKRPXXWTVZSP-UHFFFAOYSA-N 443.507 5.124 30 20 IKED CN1CC[C@H](CNC(=O)c2c(Cl)cc(C#N)cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 611197919 KTNGWIJUBYLKJS-BFUOFWGJSA-N 440.733 5.080 30 20 IKED CCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cnn1Cc1ccccc1 613318924 IQLQZTJVGWACJJ-FQEVSTJZSA-N 426.545 5.416 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nn1-c1ccccc1 613404914 QKYBKWNJCWJKRI-OAHLLOKOSA-N 426.423 5.299 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1 614999857 OLTQPGHHLDAVTF-UHFFFAOYSA-N 445.466 5.305 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cc(Cl)c(OCC)c(OC)c1 616155428 IBZFSILWRHCOTO-UHFFFAOYSA-N 429.369 5.360 30 20 IKED CC(C)(C)C[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1 618555632 RJYFDAKNRZAJRZ-IJEWVQPXSA-N 442.419 6.075 30 20 IKED O=C([C@H]1CCCCC1(F)F)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517870 QEEQTLNVPNKPAE-HUUCEWRRSA-N 445.350 5.450 30 20 IKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CC1CCC1)c1cccs1 726419662 JCOBEZANWPBFQA-NPDXCZOBSA-N 445.585 5.077 30 20 IKED N#CCOc1ccc(CNC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc1 727679556 CDXPKUGYANPOBM-UHFFFAOYSA-N 426.394 5.330 30 20 IKED C#Cc1cccc(N(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)Cc2cccs2)c1 728926795 VDSZVVDHJIIVPU-HXUWFJFHSA-N 427.554 5.222 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)OCc3nnc(-c4cccc(Cl)c4)o3)c2)cc1 730303359 BIUWNPWGXYHOKY-UHFFFAOYSA-N 431.835 5.411 30 20 IKED C#CCOc1ccc([C@H](C)OC(=O)COc2ccc(C3SCCCS3)cc2)cc1 730426086 ROHBWLUXHYBWIK-KRWDZBQOSA-N 428.575 5.251 30 20 IKED Cc1cc(C)c2nc(N(Cc3ccccc3)C(=O)Cc3ccc(OCC#N)cc3)sc2c1 731959398 LDYHCGVKSLSMMN-UHFFFAOYSA-N 441.556 5.591 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc3oc4ccccc4c3c2)ccc1OC 733616885 YMGZOVXNLQSSAR-SFHVURJKSA-N 429.476 5.597 30 20 IKED C=CC[C@H](NC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1)c1ccncc1 734659875 IGCRCYAXVVWNMN-VXKWHMMOSA-N 426.347 6.094 30 20 IKED C=CCn1c(=S)sc2c(=O)n(CC/C=C/c3ccc(Br)cc3)cnc21 735230454 LPSDFGKABVNUPQ-HWKANZROSA-N 434.384 5.041 30 20 IKED Fc1cccc(Nc2nn(CN3CCC(C(F)(F)F)(C(F)(F)F)C3)c(=S)s2)c1 735302172 ULCCUXFJHHSFTK-UHFFFAOYSA-N 446.417 5.331 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@@H]3c3ccccc3OC(F)(F)F)n2)cc1 741431693 STUWWUBOCTVQGT-KZNAEPCWSA-N 442.462 5.997 30 20 IKED Cc1cc(C#N)ccc1C(=O)N(c1ccccc1F)C1CCN(C(=O)OC(C)(C)C)CC1 749151455 URKZUDWPMYNRRM-UHFFFAOYSA-N 437.515 5.052 30 20 IKED N#C[C@H](C(=O)CCSc1ccnc2cc(Cl)ccc12)C(=O)Nc1ccc(Cl)cc1 751826309 GOVYBRNAKWIHLK-QGZVFWFLSA-N 444.343 5.371 30 20 IKED C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 755603746 YKOOBIXDKRTJDF-NUTQULCTSA-N 441.443 5.138 30 20 IKED C#CC[C@@H](NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccccc1 757612628 KODNMRPQASXJPE-DNQXCXABSA-N 430.935 5.082 30 20 IKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C2CC(F)(F)C2)cc1 757895680 PFZFFZPWNMUDNJ-IBGZPJMESA-N 443.519 5.007 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCn1ccc2cc(Cl)ccc21 759208424 YXYQIBPTXSPKHQ-MRXNPFEDSA-N 444.318 5.003 30 20 IKED N#CCc1ccccc1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 761092461 GYEWJSRMIVWHFA-QGZVFWFLSA-N 426.328 5.602 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@H](C)Oc1cccc2ccccc12 769351346 CUJKRJPBXKWBEU-ZWKOTPCHSA-N 448.544 5.041 30 20 IKED C[C@@H](Oc1cccc2ccccc12)C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 774037477 LPXRPHHIQAMVPF-KDOFPFPSSA-N 443.528 5.073 30 20 IKED Cc1ccnc(C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)CC2)n1 775545863 FXAMRAZVGCWQEL-UHFFFAOYSA-N 447.926 5.514 30 20 IKED Cc1nc2c(s1)[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)CCC2 780511577 OURJHVXXPUHAON-QFIPXVFZSA-N 432.549 5.296 30 20 IKED FC(F)Oc1ccc(-c2nnc(S)n2N=Cc2ccc(SC(F)F)cc2)cc1 781583783 ISVANTSSRHDEBM-UHFFFAOYSA-N 428.436 5.032 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C/c2cc(C(=O)O)cs2)C(=O)c2ccccc2)c(Cl)c1 782201549 UOERQCAOTDVVCO-WOJGMQOQSA-N 439.920 5.622 30 20 IKED C#CCn1ccc(CN(CC)C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)n1 790109930 IZCVJZQUABPPDV-UHFFFAOYSA-N 446.601 5.081 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C/c1cn(C(C)(C)C)nn1 790216962 XLHOMSCCZLNPOK-MDZDMXLPSA-N 431.359 5.124 30 20 IKED C=C(Cl)COc1ccc([C@@H](C)NCc2cccc(-c3nc(C(=O)OC)cs3)c2)cc1 790711855 VRRXCIPDWDQKDQ-MRXNPFEDSA-N 442.968 5.579 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 793126117 RYRJKLAQJZGQNE-UQBPGWFLSA-N 440.543 5.593 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)OC(=O)c1ccnc(C#N)c1 796735298 HGGAWVJQUSAFPV-LBPRGKRZSA-N 428.311 5.066 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)s1 797570882 KJLMGAXUWGDUNL-NQIIRXRSSA-N 445.588 5.322 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 801628452 HAIIZPBMFRNVER-LPHOPBHVSA-N 446.617 5.095 30 20 IKED O=C(c1cc(F)c(C(F)(F)F)cc1F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 804285469 COGPVZDAHXULKQ-KNVOCYPGSA-N 429.229 5.187 30 20 IKED C[C@@]1(c2ccc(F)cc2)NC(=O)N(c2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1=O 812460732 TWFQZIYJABZTLG-YKSBVNFPSA-N 433.870 5.106 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccccc1SC(F)(F)F 914743969 PZNUOZPBCCYVHN-IUCAKERBSA-N 439.343 5.938 30 20 IKED C=CCN(C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1)C(C)C 915147556 BSXZMDZYZGSDRW-UHFFFAOYSA-N 441.647 5.992 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCSc2nc3ccccc3s2)cc1 915199932 PCKDCVRJHHWPTL-HXUWFJFHSA-N 429.570 6.073 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCNc2nc3ccccc3s2)cc1 915349994 FJZSFQFORFQNDE-FQEVSTJZSA-N 427.533 5.185 30 20 IKED Cc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 916306326 HRLVIPMUGBIGLX-UHFFFAOYSA-N 439.884 5.246 30 20 IKED N#C[C@@H](C(=O)CSCc1coc(-c2ccccc2)n1)c1nc(-c2ccccc2)cs1 917027039 UODWZPHFXWSJCX-IBGZPJMESA-N 431.542 5.575 30 20 IKED CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 917119646 RAYPYSPMBBNHGF-MZNJEOGPSA-N 429.545 5.420 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1ccc(OC2CCCC2)cc1 917739586 ITMYEYTUIXVKQE-UHFFFAOYSA-N 449.532 5.176 30 20 IKED COc1ccc2c(c1)CCC[C@H]2CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 920112827 KZOUPWKCCGQTCE-KBXCAEBGSA-N 444.478 6.010 30 20 IKED CC(C)COC(=O)Nc1cccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1 920225533 CDTDOSAENFQQJN-UHFFFAOYSA-N 433.464 5.187 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)n1 920328487 SFTUQOHFHLYHRG-VIHMKRCTSA-N 442.949 5.591 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCc3cncc(OC)c3)cc2)CCC1 1786840022 IMCXCOCNCMDIOJ-UHFFFAOYSA-N 449.595 5.149 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3noc4ccccc34)CCC2)cc1 1789451999 YDUCAADZMQCYGQ-NRFANRHFSA-N 443.547 5.273 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCc5ccccc54)CCC3)cc2)cc1 1790708626 KTAXNBWIZNHBHM-SANMLTNESA-N 449.554 5.230 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CCC2)cc1)C(F)(F)F 1791302797 YGSMHNGCORUJBD-VQTJNVASSA-N 446.444 5.182 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)CCC1 1791331608 OLZIAAZWRORBHV-INIZCTEOSA-N 429.775 5.259 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(OC)ccc3Cl)CCC2)cc1 1791730263 VYNIUOSYTCJSIN-UHFFFAOYSA-N 438.955 5.290 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)ccc3OC)CCC2)cc1 1791730459 JYEVTSOFLCAEOH-UHFFFAOYSA-N 438.955 5.290 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)Cc3ccc(SC)cc3)cc2)CCC1 1791735018 YVFCCAGMLMAVOJ-UHFFFAOYSA-N 440.634 5.004 30 20 IKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@@]4(C)CC=CCC4)cc3)CCC2)c1 1791992031 ONHAMWGGEYGFCN-SANMLTNESA-N 443.547 5.061 30 20 IKED Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)o1 1792126781 KUZKAHZQEPIWQA-SFHVURJKSA-N 441.531 5.206 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)CC(=C)C)[C@@H]1c1cccnc1 1802495259 AIEZXKIBERJZEB-FGZHOGPDSA-N 425.617 5.072 30 20 IKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)[nH]n1 1822584486 RHDKJMZBIQQBDO-QXUYBEEESA-N 438.616 5.202 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H]3CC[C@H](C)CC3)[nH]n2)c1 1823215956 LHDGYXGVKCFBGR-KEXUJGGDSA-N 447.583 5.169 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C(F)(F)F)CCC2)CC1 1824140996 PNNPBRWHJXAQBZ-HXUWFJFHSA-N 440.550 5.107 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)COc2cccc3ccccc23)CC1 1824955883 CPJIDDULLFYPON-PXDATVDWSA-N 448.607 5.051 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3cnccc23)CC1 1828652686 ODOKZDAACPOWEM-RUZDIDTESA-N 447.623 5.461 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 1828828018 BLBTXIVJYGYSDL-NOZRDPDXSA-N 433.596 5.170 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)cccc2F)CC1 1829888318 FLAUHOAEAQCBCM-NRFANRHFSA-N 432.555 5.191 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cccc3c1oc1ccccc13)C2 1844204332 ONYYYIRYSJQTTF-IBGZPJMESA-N 428.532 5.171 30 20 IKED C=CCn1c(SCC(=O)NCc2ccc(C)cc2)nnc1-c1ccc(Cl)cc1Cl 9594838 PTRIWDCBLNHFPE-UHFFFAOYSA-N 447.391 5.155 30 20 IKED Cc1ccc(C(=O)/C(=C(\S)Nc2cccc(Cl)c2)[n+]2ccc(N(C)C)cc2)s1 22730606 DUGJNRRXIVVRSK-UHFFFAOYSA-O 431.006 5.114 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)nnc1-c1ccoc1C 23519373 VBTKRRVLLNRSSE-FUHWJXTLSA-N 446.576 5.544 30 20 IKED C=CCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1ccc(C(C)(C)C)cc1 23635119 JYUFIFBPGUAPNP-INIZCTEOSA-N 445.592 5.518 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 25723407 WPVMOPNHEQFXMV-UHFFFAOYSA-N 446.532 5.760 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)cc(Br)c1O 26763082 JQHJISXRORUPEQ-FARCUNLSSA-N 443.249 5.018 30 20 IKED Cc1nn(-c2ccc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)cc2)c(C)c1Cl 107830743 NQLXEFVCVCSZAM-UHFFFAOYSA-N 446.860 5.219 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1coc(-c2cccs2)n1 255930321 DRUFVWHQEBJQET-UHFFFAOYSA-N 444.969 5.705 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1 303394702 PJLBJCGMQQSHOU-KRWDZBQOSA-N 434.323 5.264 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CCOCC2)cc1 427741568 NLSGIXGZZANVMP-UHFFFAOYSA-N 448.469 5.450 30 20 IKED Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ccccc1-c1ccc(Cl)cc1Cl 431711212 WWNRVHAAQGDASZ-UHFFFAOYSA-N 438.314 5.095 30 20 IKED Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)[C@@H](C#N)c1nc2ccccc2n1C 435775486 BVAMKBJMAIUTJE-CQSZACIVSA-N 425.275 5.334 30 20 IKED CO[C@H](C)c1cccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 439545899 FJFVVEYAHVVVTD-ZHRRBRCNSA-N 447.922 5.280 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(C(=O)NCC3CCC(C#N)CC3)C2)n1 441024613 GYSDJLRHUOKMPG-ACBHZAAOSA-N 438.597 5.038 30 20 IKED N#Cc1ccc(-c2nnc(CN[C@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)o2)cc1 444740404 XLEUFGQQSKBKFB-MRXNPFEDSA-N 440.347 5.410 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2cc(C3CC3)nc3ccc(F)cc23)c1C#N 445567981 UYZTUYXTMDCLHH-UHFFFAOYSA-N 443.507 5.283 30 20 IKED Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)c1cc(-c2cccc(C#N)c2)no1 447460334 LAOGNAIBECTWMT-UHFFFAOYSA-N 425.492 5.257 30 20 IKED CCO[C@H](C)c1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)s1 463174575 SEZNHHWPCFLTGE-CYBMUJFWSA-N 427.913 5.810 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2c(Cl)cccc2Oc2ccccc2Cl)cc1 463273677 ARMGMUPQJFHHKL-UHFFFAOYSA-N 441.314 5.954 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc1NC(=O)Nc1ccccc1 464479666 XCBCJBJTNRFJLE-SFHVURJKSA-N 438.409 5.543 30 20 IKED Cc1csc([C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C2CC2)n1 466091646 LYCZJYQBBLIYCL-HXUWFJFHSA-N 438.940 6.042 30 20 IKED COCc1ccc([C@H]2CCCN2C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)o1 468232568 ZWSCTBAAQWTNBM-HOYKHHGWSA-N 429.520 5.572 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H](C[C@H](C)O)c2ccccc2)cc1 469705940 WPPWPSUPVGLWKM-GHTZIAJQSA-N 445.519 5.035 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)cc1 470493550 VRBNDVFZCHFCJS-FQEVSTJZSA-N 440.547 5.446 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H](C)O[C@H](c2ccsc2)C1 470600421 LXPVWUKOVVLCNT-UUOWRZLLSA-N 447.560 5.501 30 20 IKED C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 473549248 JMNFKKIBLRZSHT-ZYSBOAIWSA-N 436.508 5.060 30 20 IKED COc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1NC(=O)c1cccc(F)c1 474899916 DSIBHYJAFGRBFB-SFHVURJKSA-N 431.467 5.113 30 20 IKED C=CCN(C(=O)c1oc(CC(C)C)nc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 475476586 IHZNCPLOPAKFTE-UHFFFAOYSA-N 426.498 5.046 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 475548927 KXPGGMVSHSWFTO-OAQYLSRUSA-N 435.612 5.560 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccccc1CN1C[C@H](C)O[C@H](C)C1 475552696 CXBFKCCOEYJLJV-OYRHEFFESA-N 435.612 5.469 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)C[C@H](c3ccccc3)C(F)(F)F)c2)cc1 482881733 YOQORWHYWGLKSS-HSZRJFAPSA-N 438.449 6.006 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 483507996 VLGDLIHCXSPWAO-UHFFFAOYSA-N 448.388 5.045 30 20 IKED Cc1ccccc1COc1cccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 485429524 CYTVIVOBFDHQGJ-UHFFFAOYSA-N 441.531 5.521 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc(C(F)(F)F)cs1 486643265 VSQGQGKABCLFFS-ZDUSSCGKSA-N 431.439 5.511 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccn(-c3c(F)cccc3F)n2)cc1 486669327 DNCMPIXBHQPEAE-UHFFFAOYSA-N 444.441 5.048 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3c(CC)cccc3CC)o2)cc1 489803551 HKQYPSFEVWPEOJ-MRXNPFEDSA-N 437.565 5.546 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N1CCc2sccc2[C@@H]1c1cccs1 497542913 TWXKSVBILKVJLN-HSZRJFAPSA-N 438.574 5.023 30 20 IKED CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1cnc(C(F)(F)F)c(C#N)c1 499092667 UUMPTBXQDWDJKI-LJQANCHMSA-N 442.485 5.334 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc([C@H]3CCCOC3)c2)cc1 499636643 SEQHQJPIHYGGPJ-NRFANRHFSA-N 428.488 5.505 30 20 IKED O=C(c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)N1CCCC[C@@H]1C(F)F 500592866 YGZCHRQEXWUJEJ-CYBMUJFWSA-N 441.322 5.170 30 20 IKED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 502600385 DVBITKJLGZWRME-UHFFFAOYSA-N 425.532 5.039 30 20 IKED COc1ccc2cc(CN(C)C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)ccc2c1 504097333 OUOQYXKGFCUBFC-UHFFFAOYSA-N 443.425 5.325 30 20 IKED Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 505329599 DSBOKEICSKOBSY-QHCPKHFHSA-N 443.528 5.214 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 505331658 RVRACMKJTYEHAG-SFHVURJKSA-N 447.753 5.503 30 20 IKED Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)c1 505541179 VYAJCEPYPCDRFC-IBGZPJMESA-N 430.291 5.172 30 20 IKED Cc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1NC(=O)c1ccccc1 505965224 IALWVYPUNLSZNO-OAQYLSRUSA-N 438.314 5.549 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cc1 508150491 WQBYQWKBMGDKTL-UHFFFAOYSA-N 439.309 5.262 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)CCOc2ccccc2F)cc1 508258705 LUOATBAJCWBCNJ-UHFFFAOYSA-N 435.455 5.041 30 20 IKED C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 508904747 VSFQJYHSZHYHBS-UHFFFAOYSA-N 441.379 5.000 30 20 IKED N#Cc1ccc(Cl)c(C(=O)N2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)c1 509211172 MBMCMJZTTIYRAK-SFHVURJKSA-N 436.726 5.152 30 20 IKED CC[C@H](C)N[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccco1 509599614 GXLRVPGSQVZSSZ-CYFREDJKSA-N 448.542 5.132 30 20 IKED Fc1cccc(F)c1-c1nc(CN[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)co1 510478671 IAJKPJYMMOLDDS-MRXNPFEDSA-N 434.311 5.614 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F 511694419 BMAUTXRPEFHFCP-HKUYNNGSSA-N 429.536 5.177 30 20 IKED Cc1ccc(C(=O)c2ccccc2C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1C 515540068 AYLYYJWMFWWHJR-HXUWFJFHSA-N 443.453 5.769 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(CC(=O)Nc2c(C)cc(C)cc2C)no1 516038487 NVRBRFRYCWFDNY-UHFFFAOYSA-N 445.441 5.427 30 20 IKED CN(C)[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(F)cc1 516135934 AWCLBPQQENFRCR-HSZRJFAPSA-N 433.552 5.022 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2sc3cc(Cl)ccc3c2Cl)n1 516789431 JCDJTQSOXLPMAR-SNVBAGLBSA-N 425.318 5.331 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccc(O)cc3)Cc3ccco3)cc2)c1 517530391 OHJLADIUTKVTCV-UHFFFAOYSA-N 439.471 5.883 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 520170147 CRXNTIAMWCRPHP-UHFFFAOYSA-N 437.594 5.392 30 20 IKED CC(C)(CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1cccc(C(F)(F)F)c1 521929756 ODSBTGSSUATUNS-UHFFFAOYSA-N 439.437 5.472 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)c2)c1 523708497 BJCJPKXXFBFSKW-UHFFFAOYSA-N 436.515 5.033 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCCN(c2ccccc2)C1 523786870 LBZOQXBYJUHGLZ-NRFANRHFSA-N 426.520 5.450 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCn1cnc2ccccc21 524439527 ZENKHDKSFMFCAT-UHFFFAOYSA-N 439.519 5.007 30 20 IKED CC(C)NC(=O)Cc1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1 534869117 MZULXYPNPRLEEW-UHFFFAOYSA-N 447.922 5.323 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(C)n2[C@@H]2CCC[C@H](C)C2)c1 535332748 KVSSMYBRPFXFNM-NBHGPNQESA-N 439.629 5.382 30 20 IKED CC(C)(C)c1cc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)c(C#N)s1 539174662 FYSUMQBZEWOVGM-UHFFFAOYSA-N 443.981 6.137 30 20 IKED C[C@@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 541076925 HYJCNCMGBMZLSO-IAGOWNOFSA-N 440.572 5.325 30 20 IKED C[C@H](O)C[C@H](CNC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccccc1 543006972 INYDMZAHGZWGDB-CUVVAGTFSA-N 427.548 5.140 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)C2CC2)cc1 544252980 DNDWRUGXKKYCKL-JGCGQSQUSA-N 443.572 5.204 30 20 IKED N#Cc1ccccc1Oc1ccc(-c2nc(-c3ccc4c(c3)CC(=O)N4)no2)cc1Cl 545574465 DNLPFFXGVVTEOF-UHFFFAOYSA-N 428.835 5.216 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 549728712 ZHLHEBKEDNXSOW-CVDCTZTESA-N 425.536 5.036 30 20 IKED COc1ccccc1O[C@@H]1CCCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)C1 554443077 OTJAKIISOPPRJC-QZTJIDSGSA-N 425.554 5.022 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H]1c1nc2ccccc2s1 554924372 LGXKRFFQQDFMAC-FQEVSTJZSA-N 431.565 5.303 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3ccccc3OCc3ccc(F)cc3)CC2)c(F)c1 557659879 JHTGCAIWZAIAQL-UHFFFAOYSA-N 448.469 5.099 30 20 IKED C=CCn1c(S[C@H](c2ccc(Cl)cc2)C2CCOCC2)nnc1-c1ccccn1 558457794 UBHUACIGBCLJBE-HXUWFJFHSA-N 426.973 5.440 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 561237701 IHCFVOBYDDRVNS-NHCUHLMSSA-N 434.609 5.728 30 20 IKED N#Cc1cc(NC(=O)N2CCC(OCC3CCCCC3)CC2)ccc1OCC(F)(F)F 570389176 RIUCHPWWHPIGBA-UHFFFAOYSA-N 439.478 5.093 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)c1 573371731 FQESOFMVYRWVPR-UHFFFAOYSA-N 447.392 5.357 30 20 IKED CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)CCCCCC#N 588265580 RPWFSKKBPBSPFS-UHFFFAOYSA-N 434.971 5.684 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2ncc(-c3ccccc3)[nH]2)n(Cc2ccccc2)c1C 603450353 YHZQFJNWWQWSHT-UHFFFAOYSA-N 441.560 5.146 30 20 IKED C=CCN(C(=O)Cc1c(F)cccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603459015 ZSEAJGCXTPNOIK-UHFFFAOYSA-N 431.876 5.273 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(CCc1cccc(F)c1)C1CC1 603754521 DOTFHNQIUTYHMM-FOLVSLTJSA-N 440.403 5.452 30 20 IKED Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)sc2cccc(F)c12 604003898 QOCMGUHQVSYHQM-UHFFFAOYSA-N 430.504 6.246 30 20 IKED O=C1[C@H](Nc2ccc(Oc3ccccc3C(F)(F)F)c(F)c2)CCN1CC(F)(F)F 604064122 PMPCLQLIMPMCHZ-CQSZACIVSA-N 436.327 5.212 30 20 IKED Cc1nc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)nn1-c1ccccc1C(C)C 604541383 NZLBMNBIPYACNZ-UHFFFAOYSA-N 438.491 5.010 30 20 IKED C[C@@H](CN(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 609005263 VOLIEWZFHRIVSW-MBSDFSHPSA-N 445.950 5.196 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 609031791 MFSSDQKMCWEARA-ROUUACIJSA-N 438.314 6.103 30 20 IKED CCc1c(C)sc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)c1C#N 609032366 FFNIGQADOQLGGL-UHFFFAOYSA-N 430.533 5.058 30 20 IKED CC1(C)CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@@H]1c1ccccc1 609123712 KBDCJSZDUZKWNS-XMMPIXPASA-N 429.495 5.891 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC(C)C)cc1C(F)(F)F 609212605 DKMFUIQFSUZWFL-UHFFFAOYSA-N 437.418 5.621 30 20 IKED CCOc1ccc(-c2nc(CC(=O)Nc3ccccc3SC[C@H](C)C#N)cs2)cc1 609376865 KXFWVSRCJRMXDY-MRXNPFEDSA-N 437.590 5.642 30 20 IKED Cc1cccn2cc(COc3ccc(C(=O)Nc4ccccc4SCCC#N)cc3)nc12 609378715 FUQXMDPXXFXIRZ-UHFFFAOYSA-N 442.544 5.480 30 20 IKED Cc1nc(-c2ccc([C@H](C)NC(=O)CCC(=O)N(CCC#N)c3ccccc3)cc2)cs1 609420328 IMKHDEJOFBWLOZ-SFHVURJKSA-N 446.576 5.023 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3cccc(C(=O)Nc4ccccn4)c3)c2)cc1 609647855 UWCOGLJQLCDFBB-UHFFFAOYSA-N 448.482 5.037 30 20 IKED Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1OCC1CCOCC1 610155434 PFGUPDXDJUMDLT-UHFFFAOYSA-N 426.516 5.591 30 20 IKED Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(N[C@H]3CCCc4cc(C#N)ccc43)cc2Cl)n1 611482537 ZCIJQYLQJIGKPP-HXOBKFHXSA-N 447.970 5.714 30 20 IKED C[C@H](NC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)c1cccc(C#N)c1 613303501 LWYNSOCIYPJJEV-AWEZNQCLSA-N 436.874 5.486 30 20 IKED CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1ccc(C#N)cc1F 619528664 UYJIHHOSKDMLSP-UHFFFAOYSA-N 432.282 5.713 30 20 IKED C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674431759 CPNRBOZBJLCLPU-ICCXJUOJSA-N 436.318 5.019 30 20 IKED N#C[C@H](C(=O)c1cnc(-c2cccnc2)s1)c1nc2cc(C(F)(F)F)ccc2s1 677790786 DAYQJAZWZFRKSL-GFCCVEGCSA-N 430.436 5.324 30 20 IKED C=C[C@@H]1CCCCN1C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 683780250 JUEIJOTVGMUBJR-CYBMUJFWSA-N 426.357 5.141 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(Br)cnc1Cl 725889591 BNAXDFRIRYSYJZ-UHFFFAOYSA-N 442.700 5.722 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C(C)C)cc2)[n+]2ccc(CC)cc2)c1 726572370 AFCPTTIGTOVQNA-UHFFFAOYSA-O 427.593 5.965 30 20 IKED C#CCOc1cccc(N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c1 731040098 AHAXVIFWCHPASG-QFIPXVFZSA-N 435.867 5.052 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2cc(Cl)ccc2o1 731064817 YYJVOWGJYPHSJO-ZDUSSCGKSA-N 428.897 5.133 30 20 IKED COc1cc(CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C2CC2)ccc1O 731280340 JZZRLJNGGPPZJT-QHCPKHFHSA-N 427.504 5.253 30 20 IKED Cc1ccc(-c2ncc(/C=C(\C(=O)Nc3cccnc3)C(=O)c3ccccc3)s2)cc1 734306698 QFZYOIIOJXOWPM-HMAPJEAMSA-N 425.513 5.419 30 20 IKED Cc1oc(-c2ccccc2F)nc1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 737833156 VAPLUCHNOBULQI-QHCPKHFHSA-N 441.462 5.363 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cccc(N3CCCCCC3)c2)ccc1OC 741071523 COHNMFYZWSWZEF-QFIPXVFZSA-N 436.556 5.078 30 20 IKED N#Cc1cc(NC(=O)Nc2ccc3c(c2)oc2ccccc23)ccc1N1CCC(O)CC1 743100672 MNNOWXKEPARROK-UHFFFAOYSA-N 426.476 5.063 30 20 IKED N#C[C@H](C(=O)CCc1nc2cc(Br)ccc2s1)c1nc2ccccc2s1 744016776 TZSYIORCMVGAAF-GFCCVEGCSA-N 442.363 5.478 30 20 IKED C[C@H](OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc(Cc2ccccc2)no1 745004256 PIPMYLMLBYULTK-SFHVURJKSA-N 439.471 5.437 30 20 IKED N#C[C@H](C(=O)C1CC(OCc2ccccc2)C1)c1nc2cc(C(F)(F)F)ccc2s1 747106400 RMORSBCLRWHQTB-BDVYOWHSSA-N 430.451 5.487 30 20 IKED Cc1ncc(C(=O)N2C[C@H](c3ccc([N+](=O)[O-])cc3)SC2=Nc2ccccc2C)s1 748609587 SAITVTZJJZLRQR-LJQANCHMSA-N 438.534 5.286 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCCOCc2ccccc2)cc1 750704812 VMPNNDJJVKDUHA-UHFFFAOYSA-N 431.492 5.088 30 20 IKED CCCC[C@H](ON=C(C)C)C(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 757986108 QZVOSTFRXUWEDZ-HKUYNNGSSA-N 432.952 5.067 30 20 IKED CC(C)(C)Oc1cccc(CCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)n1 758510701 XIPNKCAEMBILNS-OAHLLOKOSA-N 447.482 5.696 30 20 IKED C[C@@H](ON=Cc1c(Cl)nc2ccccn12)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 760445820 AASPXLCEGNIHKD-SNVBAGLBSA-N 436.686 5.456 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)C1(c2cccc(Br)c2)CCCCC1 760785961 JUACEFVCANEEQX-UHFFFAOYSA-N 431.305 5.331 30 20 IKED Cc1ccc(C(=O)CCCC(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 766275123 MMAZQABQVQFERY-SFHVURJKSA-N 430.476 5.010 30 20 IKED C[C@@H](CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)C1CCN(C(=O)OC(C)(C)C)CC1 766350450 LMILLOYKHGSXKM-YOEHRIQHSA-N 445.560 5.285 30 20 IKED CCc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cnn1-c1ccc(OC)cc1 769863215 QYKNYYMBYZCPDC-XMMPIXPASA-N 436.515 5.351 30 20 IKED N#CCCn1cc(CNc2cccc(CC[C@@H](O)c3ccccc3)c2)c(-c2ccccc2)n1 770561501 WRGIRRNRCXRNJI-HHHXNRCGSA-N 436.559 5.742 30 20 IKED N#CCCn1cc(CNc2cccc(CC[C@H](O)c3ccccc3)c2)c(-c2ccccc2)n1 770561504 WRGIRRNRCXRNJI-MHZLTWQESA-N 436.559 5.742 30 20 IKED CCC(C)(C)N/C(S)=C(C(/O)=C1/N=C(C)C(C(C)=O)=C1C)\[n+]1ccc(C(C)(C)C)cc1 773942442 UZIZVXAMJONWEC-UHFFFAOYSA-O 442.649 5.255 30 20 IKED COc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1C1CC1 774041884 BQUIDTZIVQGBQN-NRFANRHFSA-N 426.472 5.326 30 20 IKED O=C(COc1ccc(C(=O)/C=C\c2c(C3CC3)nc3sccn23)cc1)Nc1ccccc1 774556368 SSCKVEIOODJSSL-SEYXRHQNSA-N 443.528 5.187 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)c1cccc(OC(F)(F)F)c1 775548902 RTYPZYXMSFDAMV-GJZGRUSLSA-N 437.487 5.126 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2cccc(C(C)C)c2)o1 776514696 FVKSWLHSWZYKJH-JOCHJYFZSA-N 428.532 6.156 30 20 IKED C[C@H]1CC[C@@H](C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C1 776547676 VXANZTRPCXNDKQ-NKWVEPMBSA-N 442.240 5.407 30 20 IKED CCCCOc1cccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 783891158 VEDXNTNGTMNEMS-DEOSSOPVSA-N 427.504 5.098 30 20 IKED CC(C)Cc1cccc([C@H](C)C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1 796753931 OVNNDSXIILSULV-KXBFYZLASA-N 433.577 5.454 30 20 IKED C[C@H](Cc1cncc2ccccc12)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 805867557 KXKANIAUZPGUDC-RDTXWAMCSA-N 433.483 5.692 30 20 IKED O=C(/C=C/c1c(Br)cncc1Br)c1ccc(Cl)c([N+](=O)[O-])c1 806565702 SAFVHULBOZBDEC-DUXPYHPUSA-N 446.482 5.064 30 20 IKED Cc1cc(C(=O)O[C@@H](c2ccc(C(F)(F)F)cc2)C(F)(F)F)nc(C(F)(F)F)n1 809327286 YONKFRREJRAWAV-NSHDSACASA-N 432.242 5.283 30 20 IKED C[C@@H](SCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nc2ccccc2[nH]1 915179966 JWXCDODPOILBNS-UTKZUKDTSA-N 426.545 5.651 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1 915353123 LHIFWDCZDBUOKQ-JTHBVZDNSA-N 436.515 5.895 30 20 IKED Cc1cc(C)c(C(=O)CCCC(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)c(C)c1 916919371 WLTHVOVWMFMVJF-QFIPXVFZSA-N 426.516 5.466 30 20 IKED N#CCOc1cccc(NC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)c1 921148298 WVYWSQFONIMJDE-UHFFFAOYSA-N 432.476 6.019 30 20 IKED C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 921218668 LJPGPVWMMDHKOI-GFCCVEGCSA-N 427.353 5.087 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)n3C)cc2)CCC1 1788847331 UWOWPCBVOLLKBJ-OAHLLOKOSA-N 433.474 5.004 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3c(C)nc4sccn34)cc2)CCC1 1789374926 IPJFYDKRGGMRQA-UHFFFAOYSA-N 448.592 5.220 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@H](C)Sc3cccs3)cc2)CCC1 1789415553 AAXRKUZUXGLMRU-KRWDZBQOSA-N 426.607 5.166 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)C[C@H]4C[C@@H]5CC[C@H]4C5)cc3)CCC2)cc1 1791322813 AVWRFAJKTXIROL-BAGYTPMASA-N 427.548 5.132 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(F)c(F)cc3F)CCC2)cc1 1791730685 QRWGKZUBQGTHPK-UHFFFAOYSA-N 428.454 5.045 30 20 IKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2c(Cl)cccc2s1 1797651096 CMBBOYAJOJCOLC-BTTYYORXSA-N 438.927 5.018 30 20 IKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)CCCCC)[C@@H]1c1cccnc1 1803088668 FMFBIDLWHXDAII-FGCOXFRFSA-N 425.617 5.072 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C)c(F)c2F)[nH]n1 1819310910 DRJNUJZNBUGRKY-LPHOPBHVSA-N 442.510 5.071 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 1824145221 WBIHMYYZKSNNST-AKAGGGOCSA-N 426.645 5.201 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC2CCCC2)CC1 1828903771 FMTOCKCFVLWGGO-XMMPIXPASA-N 444.736 5.238 30 20 IKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCCC(C)(C)C)CC1 1831577690 PZFXAZPGNJTSGC-FYYLOGMGSA-N 449.680 5.404 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccc(C(C)(C)C)cc2)c1 11153522 ZRLXYEBZKZEFKM-UHFFFAOYSA-O 445.652 6.556 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2ccccc2)c(C)s1 11159787 KROIMXLPGMMJOK-UHFFFAOYSA-O 436.409 6.010 30 20 IKED CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2Sc2ccccc2C#N)cc1 11460008 ASRUXKFHPSVPOL-KRWDZBQOSA-N 444.512 5.096 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(SC)cc2)nc2sc(C)c(C)c2c1=O 23405066 UJWTZZZTHJFOSR-CQSZACIVSA-N 445.635 5.102 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)c1C#N 62271388 NXXSIMFOQIDKID-UHFFFAOYSA-N 429.549 5.005 30 20 IKED Cc1csc(Sc2ccc(NC(=O)N3CCCN(c4ccccc4C#N)CC3)cc2)n1 63162794 GJQXKDWKGPJNLB-UHFFFAOYSA-N 449.605 5.219 30 20 IKED CCOc1ccccc1-c1nnc(S[C@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)o1 209603494 GTDCAOLRBHHHEI-GRVPHDJPSA-N 449.576 5.497 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 303373564 KQBWVJBPVGMNOR-WMZHIEFXSA-N 427.573 6.118 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 409574749 JBGPASMLTKGYOO-UHFFFAOYSA-N 436.471 5.317 30 20 IKED CCCc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccccc1C 429117796 UWQYMVSMSBQCNF-MRXNPFEDSA-N 433.462 5.368 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCN(C2CCC2)C1 432680849 MSTFHPOKTNOHNC-FDDCHVKYSA-N 436.987 5.334 30 20 IKED N#CCCn1cc(CN(Cc2ccccc2C(F)(F)F)C2CC2)c(-c2ccncc2)n1 435131352 ZBEXBVUIGGYHFI-UHFFFAOYSA-N 425.458 5.042 30 20 IKED Cc1ccccc1-c1nc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)no1 436503344 LWFFYLKBPJWLQZ-UHFFFAOYSA-N 425.448 5.031 30 20 IKED Cn1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(-c2ccccc2Cl)n1 437471659 JMSPGHJGXUKTEL-UHFFFAOYSA-N 446.869 5.796 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)cc1F 437474408 NUZZUQFMCZWRSE-OALUTQOASA-N 430.435 5.003 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O 438054480 HZTJJLBGOCIZLM-CRAIPNDOSA-N 442.972 5.051 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)N[C@@H](C)C(=O)N(CCC#N)c3ccccc3)s2)cc1 439606667 LBCGHIPWPMHQFC-ICSRJNTNSA-N 432.593 5.413 30 20 IKED CCCc1c(NC(=O)Nc2cccc(C(F)F)c2Cl)cnn1-c1cccc(C#N)c1 439697243 VITGFBPCPLGPJD-UHFFFAOYSA-N 429.858 5.931 30 20 IKED CCCc1c(NC(=O)N(C)[C@H]2CCCc3nc(CC)sc32)cnn1-c1cccc(C#N)c1 439704122 RSRFGSVZTRPSJB-NRFANRHFSA-N 448.596 5.257 30 20 IKED CC1(CNC(=O)C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CCCC1 441898154 UDZVPEBQPWFJJK-UHFFFAOYSA-N 445.441 5.004 30 20 IKED CC(C)=CCOc1cccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1 442613105 VQEGNRVYPRTGOA-SFHVURJKSA-N 433.533 5.111 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[C@H](COCc3ccccc3)C2)cc1 460530694 VWXVFVCZSKDWDW-FQEVSTJZSA-N 430.479 5.169 30 20 IKED C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 460799117 YIOGEAFMLNHBAP-JOCHJYFZSA-N 448.567 5.279 30 20 IKED C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 460955993 ZTNBBYIDAMYHSH-HTAPYJJXSA-N 441.501 5.446 30 20 IKED CCCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 461524485 OSHLYIKOQNRWJA-KBMIEXCESA-N 431.511 5.196 30 20 IKED CC(C)c1ccc([C@@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC2)cc1 461589483 AFURPROIGNLXPE-OFVILXPXSA-N 441.579 5.318 30 20 IKED C=CCn1c(SCc2cc(-c3cnn(C)c3C)no2)nnc1-c1ccc(C(C)(C)C)cc1 464565860 KKFXTUBLKKBZFJ-UHFFFAOYSA-N 448.596 5.418 30 20 IKED N#Cc1ccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)cc1Cl 467453909 HWKUSCRDYGLCNR-UHFFFAOYSA-N 444.844 5.860 30 20 IKED O=C(c1cc(F)c(F)c(F)c1F)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 468260021 NGKHGOFZYMYBFN-UHFFFAOYSA-N 442.334 5.499 30 20 IKED C[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(Cl)c1Cl 470545135 BYAUCGPTXDSGGS-CQSZACIVSA-N 445.350 5.459 30 20 IKED C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1nc(C(F)(F)F)cs1 470577933 YUQOMTNGAONINB-LBPRGKRZSA-N 433.480 5.676 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1nnc(-c2ccccc2)s1 470780391 RYOAHSKUPYHVQB-UHFFFAOYSA-N 441.516 5.499 30 20 IKED Cc1[nH]c2ccccc2c1C1=CCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 471161885 STFIRWUYLOQCQU-SFHVURJKSA-N 444.604 5.456 30 20 IKED CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CCc1c(C)nn(CCC#N)c1C 471306210 HOJZVUSBXAGBHR-DEOSSOPVSA-N 429.008 5.636 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc2ncccc2c1 472570403 VXYXBRNGRFDFSG-UHFFFAOYSA-N 428.305 5.034 30 20 IKED CCCOc1cc(OC)ccc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 475260496 MPJCLYHZDATZTK-UHFFFAOYSA-N 430.504 5.381 30 20 IKED CCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cnn1C1CCCC1 475491262 HGWJIJPPOJDGMP-UHFFFAOYSA-N 428.536 5.572 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccc(NC(=O)c2ccncc2)c1 475554959 TXKUWGUDAUYDPT-UHFFFAOYSA-N 428.536 5.508 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)c1ncc(C(C)(C)C)o1 476519145 RSZYYJYVEHQQDZ-CQSZACIVSA-N 432.977 5.835 30 20 IKED C=C(C)[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(F)c(F)c1 477631982 NRQTUAGYEQJAAC-QHCPKHFHSA-N 447.441 5.001 30 20 IKED C[C@@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 479495959 LHYPKCXPDRKEEN-XCLFUZPHSA-N 429.467 5.183 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 481147163 TXZWPMKMTHUCPB-GOSISDBHSA-N 441.462 5.651 30 20 IKED Cc1ccc(-c2ccc(C)c(NC(=O)C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)c2)o1 484950115 WSKOZJRHBAUPJF-UHFFFAOYSA-N 442.500 5.136 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)CCOCC(F)(F)C(F)F)c1 485554774 OPEVECCAHBAQES-UHFFFAOYSA-N 428.813 5.052 30 20 IKED CN1CC[C@H](NC(=O)c2ccccc2Sc2ccccc2C#N)[C@H]1c1ccc(F)c(F)c1 485723998 QQHTXVIJDQEOHU-XUZZJYLKSA-N 449.526 5.163 30 20 IKED N#Cc1cc(NCc2nnc(-c3ccccc3Br)o2)ccc1Oc1ccccc1 488197246 SMQDZWCNCWEUSU-UHFFFAOYSA-N 447.292 5.775 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)c1nc(-c2ccccc2C)no1 489677537 UNSGKYPBFWALLV-KRWDZBQOSA-N 433.537 5.255 30 20 IKED C[C@@H](NC(=O)c1nc(C2CC2)ncc1Br)c1ccc(-c2cccc(C#N)c2)cc1 494354619 YEBLELIUZDBNHT-CQSZACIVSA-N 447.336 5.146 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 499705173 BFAKGYRMWPYLFQ-SFHVURJKSA-N 428.552 5.241 30 20 IKED N#C[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1c(Cl)cccc1Cl 499808228 DOJMITNFPZWLDD-MRXNPFEDSA-N 436.751 5.694 30 20 IKED CCCN(C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)[C@@H](CC)c1ccccc1 501499026 CGWARKYYISSILK-NRFANRHFSA-N 432.549 5.010 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc3c(c2)OCCO3)cc1Cl 503651625 CJTAPSZVXBFHHX-FQEVSTJZSA-N 433.895 5.088 30 20 IKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 504175282 CIHCCZQYCMVWEU-RUZDIDTESA-N 446.982 5.074 30 20 IKED C=CCC[C@H](NC(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1)c1ccccc1 504418528 KGMGZFFWMXYPJO-VXKWHMMOSA-N 449.599 5.135 30 20 IKED CCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)[C@H]1CCSc2ccc(Br)cc21 504641301 DDZUFMVAXLZAPY-KUHUBIRLSA-N 445.382 5.174 30 20 IKED Cc1onc(-c2cccc(Br)c2)c1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 505832486 LSVOQWLDBSAGHL-INIZCTEOSA-N 430.689 5.061 30 20 IKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1cc(C#N)ccc1Cl)CC2 505937548 GVFNQTSQJPHGEL-JOCHJYFZSA-N 438.936 5.078 30 20 IKED Cc1sc(CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)nc1-c1ccc(Cl)cc1 506746376 GUWFTAOULAILFW-UHFFFAOYSA-N 425.916 5.131 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1 508135056 WKHBNRAZOPBMCF-UXHICEINSA-N 428.454 5.262 30 20 IKED C=CCn1c(CC2CCCCC2)nnc1N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 508888783 PLYUDIPPHXUPAX-UHFFFAOYSA-N 446.517 5.104 30 20 IKED CC(C)NC(=O)Nc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 511211367 LMOIEECWTTZHHI-UHFFFAOYSA-N 442.519 5.114 30 20 IKED CC(C)[C@@H](c1ccc(Cl)cc1)c1noc(-c2ccc(S(=O)(=O)CCCC#N)cc2)n1 514891144 PTCQYAYIGRLYFA-FQEVSTJZSA-N 443.956 5.255 30 20 IKED C[C@H]1CCN(C(=O)CNc2ccccc2Oc2ncccc2C#N)c2ccccc2S1 515446473 QBTMFZHFIVVDGX-KRWDZBQOSA-N 430.533 5.075 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)ccc1OC1CCCC1 515540124 DQIRKXZLGGIVCQ-MRXNPFEDSA-N 425.435 5.251 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)sc2nc(C(F)(F)F)ccc12 515585324 PSTDQPAEPWHSFT-AWEZNQCLSA-N 443.475 6.237 30 20 IKED CCOc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1OC 515716627 POXMUAVDYJJMOV-INIZCTEOSA-N 432.480 5.036 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(C)cc1)c1ccc(OC)cc1 518483227 IBKYNLPNJZOHMZ-SANMLTNESA-N 427.548 5.587 30 20 IKED Cc1csc(Nc2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2)n1 521134651 BDYLRIPNJCEZAM-UHFFFAOYSA-N 430.489 5.491 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)Cc1ccc(Br)cc1 521747918 DIQOXEVGBDIBBN-LSDHHAIUSA-N 432.387 5.454 30 20 IKED CC(=O)c1cccc(OCCCC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1 521855081 JRXGINOTRZQZJR-UHFFFAOYSA-N 444.506 5.601 30 20 IKED C=CCN(C(=O)[C@H](C)c1cnn(C)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 531416484 YSNNLFVQCBJKHQ-GOSISDBHSA-N 428.561 5.533 30 20 IKED C=CCOc1ccc(CNc2ccc(NC(=O)[C@@H](C)n3nc(C)cc3C)c(Cl)c2)cc1 532889316 SQCKNLRBLFOGSV-GOSISDBHSA-N 438.959 5.530 30 20 IKED CN(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccc(-c2ccccc2)nn1 534886958 VSBITHWMHNIFCK-UHFFFAOYSA-N 440.890 5.738 30 20 IKED CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 537776186 ANVMUBKZQITPHA-UHFFFAOYSA-N 439.563 5.076 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1ccc(COc2ccccc2)cc1 540194335 GJAVLYSEZGELFK-HXUWFJFHSA-N 429.520 5.021 30 20 IKED CCOCCCC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 541226988 GDEQUCFPEBQCMM-ZDUSSCGKSA-N 425.291 5.261 30 20 IKED CN(Cc1cccc(C#N)c1)c1nnc(-c2cccc3cccnc23)n1Cc1cccs1 549574950 DKMLYJKFTYJKOG-UHFFFAOYSA-N 436.544 5.111 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)N(CC3CCCCC3)CC3CCCCC3)CC2)o1 560060215 NLYCYLJFUBOGKJ-UHFFFAOYSA-N 426.605 5.060 30 20 IKED Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 564438012 DFPAJMJYTVUPJO-NRFANRHFSA-N 440.425 5.869 30 20 IKED N#CC[C@@H](Cc1nc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)no1)c1ccccc1 572045963 ZXYSBDXHBWLGGP-FQEVSTJZSA-N 438.487 5.283 30 20 IKED C[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@H]1OCCc2sccc21 576012650 BIBDIYDTVPRSNC-NPMXOYFQSA-N 436.508 5.226 30 20 IKED COCC[C@@](C)(C#N)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(C)cc1)CC2 578512505 NZFOALZTLVQODO-ONDKDMNRSA-N 425.532 5.079 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3ccc(Cl)c(C#N)c3)C2)n1 579787228 YVCRUUPLVRBPNI-MRXNPFEDSA-N 437.952 5.364 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(-c4noc(C(F)F)n4)cc3)c2)cc1 581031647 LXBLQOWHWQVXCO-UHFFFAOYSA-N 446.413 5.377 30 20 IKED Cc1ccc(SCCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1C 604003688 KYUKWDODGXCZEE-UHFFFAOYSA-N 430.573 6.069 30 20 IKED CC(=O)N1CCc2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)ccc21 604027253 QXPJDGSKOYIGDK-UHFFFAOYSA-N 431.879 5.165 30 20 IKED CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 604377469 WRZXJMHTLOCDOR-UHFFFAOYSA-N 449.532 5.136 30 20 IKED Cc1nnc(SCc2c(C(=O)N[C@@H](C)c3ccc(C#N)cc3)oc3ccccc23)s1 604528666 ATLPMQLLSSRSRD-ZDUSSCGKSA-N 434.546 5.248 30 20 IKED CC[C@@H](C)n1c(SCC(=O)N(CCC#N)c2cccc(C)c2C)nnc1-c1ccccc1 604548127 ZQWZKMHBIARQMT-LJQANCHMSA-N 447.608 5.572 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 607538627 FMJMSQPDXFASKB-YWZLYKJASA-N 438.515 5.145 30 20 IKED Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2cccc(OCCCC#N)c2)c2ccccc2)cc1 609228340 QKKVMQNTLAEKRR-VWLOTQADSA-N 441.531 5.178 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 609377091 OJVRUBOVSHXBRT-SQMBMXPBSA-N 447.604 5.350 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1ccccc1Oc1ccc(Cl)cc1)c1ccccc1 609460151 CJCLKOOIKQRHMI-UHFFFAOYSA-N 447.922 5.798 30 20 IKED C[S@@](=O)Cc1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)ccc1Cl 609654881 PYBDLRMOCVRWKU-GDLZYMKVSA-N 440.977 5.494 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 610223690 BYRGGUSFTVCEAN-PMACEKPBSA-N 438.314 6.103 30 20 IKED CCc1nc([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)no1 611186116 PMWVGIYHLUYYCA-GOSISDBHSA-N 436.899 5.317 30 20 IKED N#C[C@@H](C(=O)c1cc(C2CC2)nn1-c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 613319287 BMMDTHDZLJCFFU-IBGZPJMESA-N 444.947 6.017 30 20 IKED COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)NCc2ccc(C#N)c(Cl)c2)cc1 619828568 VFQPCEKJQNZOFL-UHFFFAOYSA-N 449.938 5.141 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cccc(-n2nccc2C(F)(F)F)c1 622478082 UPPDJLDZJUPKLD-INIZCTEOSA-N 445.338 5.454 30 20 IKED C[C@H]1Sc2ccc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2NC1=O 642282046 HADVIJKVXMTFLJ-BXKDBHETSA-N 447.463 5.238 30 20 IKED O=C(CCCc1ccc(Br)s1)NCC#Cc1cccc(C(F)(F)F)c1 644481310 CIKXMRWLZHXVMG-UHFFFAOYSA-N 430.289 5.020 30 20 IKED N#C[C@H](C(=O)c1coc(-c2ccccc2Cl)n1)c1nc2cc(C(F)(F)F)ccc2s1 678970353 QTKOPXFOTUFJKQ-GFCCVEGCSA-N 447.825 6.114 30 20 IKED C=CCn1c(SCc2nnc(CC)s2)nc2sc(-c3ccccc3)cc2c1=O 680015799 FMIXVCNNBXOQOO-UHFFFAOYSA-N 426.592 5.017 30 20 IKED O=C(CCCc1cccc(C(F)(F)F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 681130429 XLJQZISNIICQMG-ZIAGYGMSSA-N 449.357 6.054 30 20 IKED N#Cc1ccc(NC(=S)N2CCc3[nH]c4ccc(Br)cc4c3C2)cc1Cl 726457957 TXWMGRJODULKTM-UHFFFAOYSA-N 445.773 5.211 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1 726755349 IOVCMOMHXNDRKY-UHFFFAOYSA-N 440.572 5.611 30 20 IKED C[C@@H](NC(=S)NN=Cc1csc(-c2ccccn2)n1)c1ccc(Cl)cc1Cl 727061504 JIULZAYKWGVGAU-LLVKDONJSA-N 436.393 5.071 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccc(OC(F)(F)F)cc3)n2)cc1 727627414 NLHNUEITVOJOEX-SFHVURJKSA-N 430.451 5.826 30 20 IKED Cc1cc(-c2noc([C@H](C)OC(=O)c3ccc(COc4ccc(C#N)cc4)o3)n2)ccc1F 728109799 UELNKZLHRYHYNC-HNNXBMFYSA-N 447.422 5.146 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC([C@H](O)c4ccc(F)cc4)CC3)cc2)cc1 731108569 VUMBRPUKNBWTOF-RUZDIDTESA-N 445.494 5.467 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNc2ncnc3scc(-c4ccc(OC)cc4)c23)c1 733793132 IKJPIKCQOHPNSU-SFHVURJKSA-N 430.533 5.660 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(CC)[C@H](C)c2cccc(C(F)(F)F)c2)c1 733804809 MRNLPYWDFKIOAQ-OXQOHEQNSA-N 433.474 5.679 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Oc2cccc(NC(=O)c3ccco3)c2)c1 734330293 KYHYZKYLSUYWRJ-UHFFFAOYSA-N 438.439 5.202 30 20 IKED CCCOc1c(Cl)cc(/C=C/C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1OC 735233084 YTEMRLSZZRNPLS-RUDMXATFSA-N 444.883 5.030 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=S)Nc2ccc(OC(F)F)c(Cl)c2)c1 735628304 VVFKYJMSWWFIPB-AWEZNQCLSA-N 425.888 5.109 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2c(Cl)nc3ccccn23)cs1 737445684 FKBLPHXLNHFJJT-DHZHZOJOSA-N 436.924 5.333 30 20 IKED CCCCOc1ccc(/C=C\C(=O)c2c(F)cccc2N2CCOCC2)cc1OCC 741448251 SSOLREUDYURNGH-LUAWRHEFSA-N 427.516 5.136 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(N2CCSCC2)cc1 741578111 ZZWCQKADYPLSBS-UHFFFAOYSA-N 431.586 5.515 30 20 IKED Cc1ncsc1/C=C1\CN(c2ccc(F)cc2F)C/C(=C\c2scnc2C)C1=O 742434132 FAKQRDBDBLYSHG-PWSZKDBUSA-N 429.517 5.051 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)c3ccc(Br)s3)n2)cc1 744061049 GMUIPVXOAVHDFW-RISCZKNCSA-N 447.379 5.623 30 20 IKED N#C[C@H](C(=O)CCc1ccc(Br)cc1F)c1nc2ccccc2n1C(F)F 745313603 SQOXTIUAASVRQG-CYBMUJFWSA-N 436.231 5.142 30 20 IKED CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCc2ccc(OC)c(O[C@@H](C#N)CC)c2)o1 745820879 WUFGCOKKFJHWHI-UIFIKXQLSA-N 439.556 5.214 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=NNc1oc(C(C)(C)C)nc1C#N 746498441 ZPVJWSOPXSWEAN-UHFFFAOYSA-N 431.327 5.150 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(N3CCCC3=O)cc2)ccc1OCC(F)(F)F 750902811 NCVXWCJLQKHDHD-WZUFQYTHSA-N 433.426 5.049 30 20 IKED Cc1sc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1-c1ccc(F)cc1 756232598 VBINAVXKFLNUFE-INIZCTEOSA-N 430.863 5.616 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1Br 757408127 HCPTUQVLBYTUBP-GOSISDBHSA-N 449.304 5.511 30 20 IKED CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)[C@@H](C#N)c1nc2ccccc2o1)OCC3 759240661 USCJRXOXZVCDNJ-BCHFMIIMSA-N 427.504 5.316 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)ccc1OC 760150564 VYOLLZLRIUFEAW-GOSISDBHSA-N 449.473 5.538 30 20 IKED O=C(/C=C\c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cc(Br)ncc1F 762427326 TVUWMLBIRABMJP-UTCJRWHESA-N 440.194 5.084 30 20 IKED C=CC[C@H](N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C)c1ccncc1 766017408 BPXGQCLBHMIQHD-LIRRHRJNSA-N 428.399 6.244 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(Cl)nc1C(F)(F)F 766481912 FIINYKBJDHFTOY-UHFFFAOYSA-N 431.801 5.979 30 20 IKED COc1cc(F)c(C(=O)/C=C/c2ccc(OC(F)F)c(Br)c2)cc1OC 768267912 YFDGJGIUICUCLF-HWKANZROSA-N 431.204 5.103 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC(C(=O)C(F)(F)F)CC1)c1ccc(C(F)(F)F)cc1 773400703 BYBPBRHHYXYHEA-MRXNPFEDSA-N 436.396 5.266 30 20 IKED O=C1/C(=C\c2cccc(Br)n2)CCC/C1=C\c1cccc(Br)n1 777911475 LSFXTQKCYMQYAK-PJABCKPXSA-N 434.131 5.222 30 20 IKED COc1ccc(Br)cc1[C@H]1CCCN1C(=O)Nc1ccccc1O[C@H](C)C#N 780679418 WWPSRMACQPJNNW-RDTXWAMCSA-N 444.329 5.118 30 20 IKED N#Cc1ccc(C2(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)CC2)cc1 781448796 MEQFLXVOHHEVCI-KRWDZBQOSA-N 438.339 5.897 30 20 IKED C#CCn1ccc(CN(CC)C(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)n1 790118768 DEAYCCOUVWIHSL-JOCHJYFZSA-N 441.959 5.191 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccc(C(F)(F)F)cc1 798819660 FERDPCGBFZJCJZ-FZKQIMNGSA-N 425.435 5.681 30 20 IKED COc1ccc(F)cc1C=Nn1c(C)nc2scc(-c3ccc(Cl)cc3)c2c1=O 812223873 QIERJEIAGWSEIC-UHFFFAOYSA-N 427.888 5.117 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@](CO)(Cc3ccccc3)C2)cc1 812919643 OJVGOPSJELVSQI-XTEPFMGCSA-N 439.559 5.191 30 20 IKED CCN(CC)[C@@H](C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)c1cccc(C(F)(F)F)c1 813215687 AWSBJUPAETUOQA-SJLPKXTDSA-N 443.391 5.379 30 20 IKED CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1cnc(C(F)(F)F)c(C#N)c1 815478684 FPDGRXBPZKKYND-UHFFFAOYSA-N 433.430 5.014 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1 915087209 QKDMBJXVTBLSIF-RUZDIDTESA-N 440.506 6.205 30 20 IKED N#C[C@@H](C(=O)C1CCN(c2nc3ccccc3o2)CC1)c1nc(-c2ccccc2)cs1 915102547 WTHAOYIYYUQBMH-SFHVURJKSA-N 428.517 5.044 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccc(-c2ccccc2)cc1 915860107 IZFKSIGBARPWIP-UHFFFAOYSA-N 435.483 5.739 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=S)Nc2ccc(OC(F)(F)F)cc2)cc1 916012891 WMQNYMJQBZJGKR-UHFFFAOYSA-N 433.377 5.218 30 20 IKED COc1ccc(C(=O)/C=C/c2csc(-c3cccc(Br)c3)n2)cc1OC 916137702 LSJDSUWZSSVIHF-BQYQJAHWSA-N 430.323 5.486 30 20 IKED COc1ccc(C(=O)/C=C\c2ccc(/C=C/C(=O)c3ccc(OC)cc3F)cc2)c(F)c1 916141617 NIOBXLVYLVGWEI-MFUUIURDSA-N 434.438 5.774 30 20 IKED COc1cc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)ccc1OC(F)F 916276889 MZFRGCVCAJEHOR-UHFFFAOYSA-N 445.278 5.033 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1cc(Br)c(O)c(OC)c1 916564705 ZWKZJJACPRHLAH-QPJJXVBHSA-N 442.762 5.106 30 20 IKED Cn1c([C@@H](C#N)C(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)nc2ccccc21 916843459 IGNWKBIZTWSNHJ-GBXCKJPGSA-N 445.975 5.926 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1 916906913 WIMCWAZSLCXQTM-INIZCTEOSA-N 425.271 5.747 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(SCc2ccccc2)cc1 916919470 YIXHMAZSASCGSK-DEOSSOPVSA-N 436.536 6.093 30 20 IKED N#C[C@H](C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)c1nc2ccccc2n1C(F)F 917041057 OMLHRYAZASMPLJ-QXLXQBSBSA-N 437.446 6.189 30 20 IKED N#C[C@H](C(=O)COc1ccc(OCc2ccccc2)cc1)c1nc2cc(Cl)ccc2s1 917046136 GCDHDMWKFCVCKW-HXUWFJFHSA-N 448.931 5.784 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2oc3ccccc3c2C)cs1 917560029 QDWDYYRYVFMKHJ-FMIVXFBMSA-N 436.920 6.432 30 20 IKED N#Cc1ccccc1N1C(=O)/C(=C/c2csc(-c3ccc(Cl)cc3)n2)SC1=S 917644766 KHJDRHDHIHXDLJ-MFOYZWKCSA-N 439.974 5.741 30 20 IKED COC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4C#N)C3=O)o2)cc1 917645045 RVUPEPYZWCGJGZ-NDENLUEZSA-N 446.509 5.011 30 20 IKED CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 918296010 HKSWZGPLBMLLHT-RUZDIDTESA-N 439.559 5.237 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3nc(-c4ccc(C)c(F)c4)no3)n2)cc1 918490658 UWLOZSRJNIHFCZ-SFHVURJKSA-N 446.507 5.425 30 20 IKED O=C(COc1ccc(C(=O)/C=C\c2csc(-c3ccsc3)n2)cc1)Nc1ccccc1 920065377 WZAHWDWJCZSTNJ-FLIBITNWSA-N 446.553 5.785 30 20 IKED Cc1sc2ncn(N=Cc3ccc4c(c3)CCC(C)(C)O4)c(=O)c2c1-c1ccccc1 920363667 FGWDBJMPSFZCIU-UHFFFAOYSA-N 429.545 5.419 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3nc(NCc4ccco4)ncc3Cl)cc2)cc1 921009722 FWEFVVFNJQCVTH-UHFFFAOYSA-N 445.866 5.251 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)CCC1)C(F)(F)F 1787764793 CAECMJWFDFAFLX-UHFFFAOYSA-N 436.861 5.135 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc4cccnc4[nH]3)cc2)CCC1 1789316030 MBVJKIILRNOLGN-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3cccc4ncccc34)CCC2)cc1 1791243989 HXPBCENJQBAQSI-IBGZPJMESA-N 427.548 5.124 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2c(Cl)cccc2s1 1797649901 LYZCYOIUMMCAQC-MHORFTMASA-N 443.012 5.575 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1810504883 IZXGNEVFIHBHRC-IFMALSPDSA-N 439.987 5.047 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](F)c2ccccc2)CC1 1823751560 ZNAPWDIGPNQSFX-PKTZIBPZSA-N 428.592 5.309 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cccc(O)c2)CC1 1823753642 WTHKJUKNKYQFER-JHUUHBRDSA-N 438.612 5.018 30 20 IKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](S)C(C)C)CC1 1824538441 UFNJGLVKMIGCQJ-RBBKRZOGSA-N 448.673 5.073 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc3ccccc23)CC1 1828000386 HEQZEJSKBBKLBF-GJZUVCINSA-N 445.607 5.237 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc(F)ccc4s3)CC2)C1 1828601935 MDDXJKNSXOHRMK-NRFANRHFSA-N 440.584 5.240 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3sccn3c2)CC1 1828825611 YPOUWLUMGDJSKX-YADHBBJMSA-N 439.625 5.003 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)c(C)c2)CC1 1828827528 OTDQBLQJMCCKGM-LADGPHEKSA-N 426.576 5.136 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nccc3occc23)CC1 1829067788 XUDYGQVHJFHUKG-NRFANRHFSA-N 437.584 5.054 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2OCC)CC1 1830606685 UCRZCUFDBGIPIT-AVRDEDQJSA-N 447.019 5.184 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccc(CC)cc2)cc1 10173471 RSLDWJCFTLMKLO-UHFFFAOYSA-O 430.018 5.865 30 20 IKED Cc1nc2ccccc2cc1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 10467826 CTJQSKMUNUHRCA-UHFFFAOYSA-N 444.535 5.134 30 20 IKED CCc1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2c(C)cccc2C)cc1 11153218 MXPUJZGRAZWKEW-UHFFFAOYSA-O 434.541 5.112 30 20 IKED Cc1ccccc1N/C(S)=C(/C(=O)c1ccc(-c2ccccc2)cc1)[n+]1cccc(O)c1 11165547 LOEAVNNCOMQZIW-UHFFFAOYSA-O 439.560 5.706 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(N)c3c(C)c(C)sc3n2)nnc1-c1cccc(C)c1 11177272 IXOCDCBICPUADD-HNNXBMFYSA-N 436.610 5.497 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1)=C(/S)Nc1ccc(F)cc1F 11247278 PEZNKMFMZKDQCZ-UHFFFAOYSA-O 431.915 5.519 30 20 IKED CC(C)OCc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)oc2ccccc12 16949559 CJWYSIMYTFFTBH-AWEZNQCLSA-N 440.883 5.067 30 20 IKED CCn1c(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1cccc(Cl)c1 16996856 BTJVUIJQXVRTGT-GFCCVEGCSA-N 446.363 5.263 30 20 IKED C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)N(CCC#N)c1ccccc1 22250174 UWHIUCOQIGLBPG-QGZVFWFLSA-N 434.565 5.462 30 20 IKED C=C(C)CN/C(S)=C(/C(=O)c1cc(C)c(C)cc1C)[n+]1ccc(Cc2ccccc2)cc1 22797174 AAJMYDYRZGHXFH-UHFFFAOYSA-O 443.636 5.595 30 20 IKED C=CCn1c(S[C@H](C)C(=O)NC(CC)CC)nc2scc(-c3ccccc3)c2c1=O 23404478 ALDGZCFFAIAMLN-OAHLLOKOSA-N 441.622 5.096 30 20 IKED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1ncnc2cc(-c3ccc(F)cc3)sc12 23874877 NHRUIQLADOGXOE-ASSNKEHSSA-N 428.558 5.032 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2cccs2)n1CC 58892594 CEDRHJDBODCVND-UHFFFAOYSA-N 439.031 5.048 30 20 IKED CCCNC(=O)c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1Cl 60017056 OETXEZOEYDXYGH-UHFFFAOYSA-N 449.963 5.755 30 20 IKED C[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1cccc(Cl)c1Cl 108419083 SNJBHAIMSMKZQO-OAHLLOKOSA-N 440.330 5.883 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2sc(-c3ccccn3)nc2C)cc1 116553036 QGSOLKOKVQCFFS-UHFFFAOYSA-N 442.500 5.438 30 20 IKED C=CCn1c(SCc2csc(-c3ccc(C(C)C)cc3)n2)nnc1-c1ccncc1 255929468 DFRRWSSNCMOFMU-UHFFFAOYSA-N 433.606 6.065 30 20 IKED CCOc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 301766123 UTFBXNGXZFACRZ-LJQANCHMSA-N 438.936 5.702 30 20 IKED N#Cc1ccc(Sc2nnc(-c3ccc(Cl)cc3Cl)n2-c2ccccc2)nn1 301868959 CIGCSOUFQYWNAL-UHFFFAOYSA-N 425.304 5.054 30 20 IKED CC1CCN(C[C@@H]2CCCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)C2)CC1 303368596 RVVRQTWEOOWFGB-QFIPXVFZSA-N 432.568 5.326 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cnn1-c1ccc(Br)cc1 430639817 GHUWAZRHCPZCTH-OAHLLOKOSA-N 443.370 5.187 30 20 IKED N#Cc1cccc(-c2nnc(CNc3cc([N+](=O)[O-])ccc3Sc3cccs3)o2)c1 434880379 NUGDFBYWWYPDJI-UHFFFAOYSA-N 435.490 5.341 30 20 IKED Cc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c2cnn(C(C)C)c2n1 437501891 PHKUQUGNRSRKGZ-UHFFFAOYSA-N 429.455 5.376 30 20 IKED CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)N[C@@H](CCC#N)c3ccccc3)cc2)cc1 439376457 VNRTYJPCIOQFKH-QHCPKHFHSA-N 449.532 5.049 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 439539706 DRUKILIGNXSYEY-UONOGXRCSA-N 438.330 5.127 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@H](CCC#N)c1ccccc1 439668694 BOFVHFHWERQOGH-OXQOHEQNSA-N 439.968 5.778 30 20 IKED COc1cc(/C=C2\CCn3c2nc2sc(C)c(-c4ccccc4)c2c3=O)ccc1C#N 442327450 SCUBXFFYJZCEDW-LDADJPATSA-N 425.513 5.258 30 20 IKED C=CCn1c(S[C@@H](C)c2ccc(S(C)(=O)=O)cc2)nnc1-c1ccc(Cl)cc1 442913732 POPTWQLJIQABQW-AWEZNQCLSA-N 433.986 5.041 30 20 IKED COc1cc(C)c(Br)cc1NC(=O)c1occc1COc1cccc(C#N)c1 462592168 LDXGCUVNIYAKMC-UHFFFAOYSA-N 441.281 5.062 30 20 IKED Cc1cc(F)cc2c(N3CCC[C@@H](c4nc(-c5cccc(F)c5)no4)C3)c(C#N)cnc12 462816678 MZZXGWLKTDOYDL-MRXNPFEDSA-N 431.446 5.127 30 20 IKED N#Cc1ccc(F)c(CNC(=O)c2oc3ccccc3c2COc2ccccc2Cl)c1 464052383 PPOYMGQFLVSFLM-UHFFFAOYSA-N 434.854 5.606 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)cc1 467096480 QMMVRGUAFFRNBH-GOSISDBHSA-N 430.577 5.538 30 20 IKED O=C(c1cc2c(F)cc(Br)cc2[nH]1)N(CCC(F)(F)F)CC(F)(F)F 468538266 WYGGWBBOBIYGTA-UHFFFAOYSA-N 435.137 5.026 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@H]3CCCOc4cc5c(cc43)CCCC5)ccc21 469183647 GVDAIAKYHIKVPV-DEOSSOPVSA-N 429.564 5.474 30 20 IKED C[C@H]1C[C@H](N(C)C(=O)c2cn(CCCC#N)c3ccccc23)CCN1Cc1ccccc1 469465942 CRNMFNPHBFIVGQ-JTHBVZDNSA-N 428.580 5.070 30 20 IKED CCC(C)(C)N(CCC#N)C(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1 471161435 OWJBKTHZWOJXLY-UHFFFAOYSA-N 432.362 5.276 30 20 IKED C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 472713825 KFMYEIMHRZPSDO-OXQOHEQNSA-N 449.605 5.187 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3cc(C4CC4)nc4ccc(Cl)cc34)CC2)cc1 473430895 ATYVXCDTHMJECL-UHFFFAOYSA-N 431.923 5.321 30 20 IKED COc1ccccc1[C@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)OC(C)C 473676388 OMOURWGLRQAQLB-UWJYYQICSA-N 427.570 5.377 30 20 IKED O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 474239539 XNZQCFPDJXHPSP-SNVBAGLBSA-N 426.357 5.340 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 474790943 NBMQCTTYLBLRFY-LJQANCHMSA-N 430.335 5.038 30 20 IKED CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(C(C)(C)C#N)cc1 475117624 ICINZBRCAHOBGA-UHFFFAOYSA-N 432.543 5.502 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)c1cc2cccc(F)c2o1 475434469 JFMUNTWZNYVKRY-OAHLLOKOSA-N 443.434 5.052 30 20 IKED CCN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@H](c1cccnc1)c1csc2ccccc12 475901934 SUQIDXZFFFVLFK-JIPXPUAJSA-N 439.584 6.322 30 20 IKED CCOc1cc(-c2nnc(SCc3ccc(C#N)c(F)c3)o2)cc(OCC)c1OCC 478516722 PETBJWPNIZGHTM-UHFFFAOYSA-N 443.500 5.236 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccnn3C3CCCC3)s2)c(C(F)(F)F)c1 480490201 GLCMSEUFDOMNOV-UHFFFAOYSA-N 445.470 5.188 30 20 IKED CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1 486755242 OSZJFTSPRYJWFF-KBXCAEBGSA-N 425.941 5.720 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)c1nnc(-c2cccs2)o1 489622560 VBBWEFAJNAUADZ-HNNXBMFYSA-N 439.566 5.316 30 20 IKED O=C(Nc1cc(F)c(OC(F)F)cc1F)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 491419850 WZXFXPOPEMZJQP-ZDUSSCGKSA-N 428.279 5.521 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 494078949 MMMYTCXZBIANAZ-ODOSVJCGSA-N 431.565 5.328 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1sccc1C#N 497987819 DIULODOMGIUQNS-UHFFFAOYSA-N 429.423 5.452 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](c2cccc(C)c2)c2ccccn2)cc1 499026643 JWCRESBAABNPQJ-RUZDIDTESA-N 440.547 5.115 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(Oc2cccc(OC)c2)nc1 500154274 LIPVVEDLUOHUIX-UHFFFAOYSA-N 443.956 5.495 30 20 IKED Cc1cc(-c2cc(C(=O)N(CCC#N)CCC(C)C)c3cnn(C(C)C)c3n2)c(C)s1 505201010 JUDWHWJKDGTNII-UHFFFAOYSA-N 437.613 5.760 30 20 IKED N#C[C@H](C(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1nc2ccccc2n1C(F)F 505419797 FIBZGSNSWJMLDC-LLVKDONJSA-N 430.386 5.323 30 20 IKED N#C[C@@H](NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1ccccc1Cl 505639580 TUPIUJBJANYTDG-OAHLLOKOSA-N 433.682 5.224 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2cccc(Cl)c2)cc1 508257754 IZGHLAWZPADYGC-QFIPXVFZSA-N 447.922 6.382 30 20 IKED CC[C@@H](C)n1ncc2c(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)cc(C)nc21 508981429 RYJOSYHVBORTMS-OAHLLOKOSA-N 441.560 5.662 30 20 IKED CCN(C[C@@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)CCC2 509713948 LFTQWHHXOSYJSG-XSLGSPGOSA-N 439.559 5.742 30 20 IKED C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510007195 SXAOFRODXQJSQD-BTYIYWSLSA-N 439.893 6.499 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@@H](C(F)(F)F)C4(CCC4)C3)s2)cc1 510254910 HSYJAUAXKARRGB-QGZVFWFLSA-N 434.487 5.192 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccccc2)n1 510282060 MSGVZCKVAVUDLY-UHFFFAOYSA-N 438.487 5.071 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](NC(=O)c1cccs1)C(C)C 511572909 GFVUYVRTPFWZED-JOCHJYFZSA-N 433.533 5.114 30 20 IKED CC(=O)Nc1cc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1C 513979082 XRZYYCMOZTVLSH-UHFFFAOYSA-N 430.483 5.199 30 20 IKED N#CCCn1cc(CNc2ccc(SCc3ccccc3)cn2)c(-c2ccccc2)n1 514074192 JZAUZLRCYFGUNQ-UHFFFAOYSA-N 425.561 5.763 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccn(-c4cccc(Cl)c4)n3)n2)cc1 516269970 HJFRNJOWBZKRSF-SFHVURJKSA-N 429.892 5.011 30 20 IKED C[C@@H](c1ccccc1F)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 518104553 FOEKLAMVLDSGGJ-HRAATJIYSA-N 449.913 5.293 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NCc3ccc(CN4CCCC4)cc3)cc2)cc1 518389756 CWQAEWQIMLZUIQ-UHFFFAOYSA-N 425.532 5.071 30 20 IKED C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1nc(C(C)(C)C)cs1 518580983 LZJQPFWZRNNWNC-ZDUSSCGKSA-N 425.583 5.242 30 20 IKED C=CCn1c(SCc2ccc(OCc3ccccn3)cc2)nnc1-c1ccc(F)cc1 520094998 UGHUDEOCTXAYHD-UHFFFAOYSA-N 432.524 5.537 30 20 IKED C[C@@H]1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C[C@@H](c2ccccc2)O1 520405371 CGYYWNNRXNBWTB-DVECYGJZSA-N 428.557 5.453 30 20 IKED C[C@@H](C#N)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 521534752 XYMUJTDHPSILJZ-NFBGKYEXSA-N 440.503 5.252 30 20 IKED C=CCn1c(SCc2ccc(OCc3ccncc3)cc2)nnc1-c1ccccc1F 522090328 QABFXTPSKMDUSH-UHFFFAOYSA-N 432.524 5.537 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 522703985 MSGOYKAGXFRNEU-NSHDSACASA-N 425.398 5.287 30 20 IKED C=CCN(C(=O)c1ccc(CNC(=O)C2CCCC2)cc1)c1nc(-c2ccccc2)cs1 524330047 PYQXREUEMIIQFT-UHFFFAOYSA-N 445.588 5.449 30 20 IKED Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 524390383 HPAFLKFTOUPFGG-UHFFFAOYSA-N 425.492 5.024 30 20 IKED CCc1c(C(=O)Nc2ccccc2SC[C@H](C)C#N)nnn1-c1ccc(OC(C)C)cc1 524963163 ZCWLJFLKMOOUHY-QGZVFWFLSA-N 449.580 5.121 30 20 IKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)CN(C)CC#N)c2C#N)C(C)(C)C1 532528011 LHMIGICEBBRNFL-WAYWQWQTSA-N 436.606 5.162 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccc([S@@](C)=O)cc1 534889731 IXLQGJYXIQAZRL-INCQDFKNSA-N 438.936 5.232 30 20 IKED N#Cc1c(NC(=O)C2(c3ccc(F)cc3F)CCOCC2)sc2c1CCCCCC2 536327002 ATNUKGRABBURMX-UHFFFAOYSA-N 430.520 5.244 30 20 IKED CN(C(=O)c1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1Cl)C1CCCCC1 537424152 ANRMGVDADJQJFX-UHFFFAOYSA-N 435.955 5.552 30 20 IKED C=CCC[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(C(F)(F)F)cc1 540428431 VUEXYBZUBPJUPN-GOSISDBHSA-N 432.402 5.461 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542054846 CRMNYARUPBRORB-GOSISDBHSA-N 435.531 5.911 30 20 IKED CN(C(=O)c1cc(OCC(F)F)ccn1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 544037060 UBTXGNJZUSXMBS-HNNXBMFYSA-N 442.306 5.120 30 20 IKED Cc1nn(CCC#N)c(C)c1CCc1nc(-c2ccnc(Oc3ccccc3Cl)c2)no1 544854088 CCHOGXQPKXSMQS-UHFFFAOYSA-N 448.914 5.090 30 20 IKED Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)n(CCC#N)n1 547341605 FMIMIBKWNJJWLT-UHFFFAOYSA-N 441.900 5.070 30 20 IKED C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)c2)C1 548803337 TVMWVGZJLCDRNL-OFNKIYASSA-N 432.568 5.266 30 20 IKED N#Cc1cccc(-c2nnc(N3CC[C@H](c4cccc(F)c4)C3)n2Cc2cccs2)c1 549582043 NAOQMOAEYQZEGT-FQEVSTJZSA-N 429.524 5.060 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cc(-c2ccccc2)on1 549809580 DFMYOYUYRQJMML-UHFFFAOYSA-N 444.304 5.141 30 20 IKED CC1=C(c2ccco2)CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 554853969 MNFMLTOHVGALDE-UHFFFAOYSA-N 427.504 5.636 30 20 IKED CCc1ccc([C@H](C#N)NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 564250636 HZLIBCVDQMGXHU-RPWUZVMVSA-N 445.950 5.145 30 20 IKED COc1cc(CN[C@@H](c2cccs2)C(C)(C)CO)ccc1OCc1cccc(C#N)c1 568919328 ZKYAAXHMBHZUTI-DEOSSOPVSA-N 436.577 5.057 30 20 IKED CC(C)(c1ccc(OC(F)(F)F)cc1)c1noc([C@H](C#N)Cc2ccc(C#N)cc2)n1 572078968 XIAHGVYFVUMJOB-INIZCTEOSA-N 426.398 5.016 30 20 IKED CC(C)[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc2c(c1)OCCO2 577787342 LLLPWANZUZKATL-XMMPIXPASA-N 444.491 5.036 30 20 IKED Cc1ccc(-c2cncc(F)c2)cc1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 582971853 YUSWFUFPXKAQMZ-UHFFFAOYSA-N 432.474 5.062 30 20 IKED CC1(C)C[C@@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c2ccc(F)cc2O1 589366972 QNYCZPIPDPEPNO-OAQYLSRUSA-N 432.455 5.309 30 20 IKED O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Nc1ccc(F)cc1C(F)(F)F 590252829 LBSZCPWCGZVBBB-UHFFFAOYSA-N 448.363 6.168 30 20 IKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(-c2nc(C3CC3)no2)c1 598654108 OACLNSPQZBRMNP-UHFFFAOYSA-N 449.454 5.014 30 20 IKED C[C@@H](Sc1n[nH]c(/C=C/c2ccccc2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 598953239 NRDUZBOKUXSYHO-RDRICISKSA-N 449.605 5.296 30 20 IKED COCCOc1c(Cl)cccc1N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 604469077 BNBPVDGUEDWOOG-AWEZNQCLSA-N 447.988 5.006 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(OC)c(NC(=O)C3CCCCC3)c2)cc1OC 604746503 LMEYROYEYDCXPU-UHFFFAOYSA-N 438.524 5.040 30 20 IKED COc1ccc2c(c1)c(C(=O)[C@@H](C#N)c1nc3ccccc3o1)c(C)n2Cc1ccccc1 606754248 PXWPLEVQZXHQFH-OAQYLSRUSA-N 435.483 5.638 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCO[C@H](c4ccccc4F)C3)c2)cc1 608995085 ZNFZAEDQRSTSPV-VWLOTQADSA-N 445.494 5.076 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2cccc3c2OCCO3)cc1 608995230 DESVHZTVSYXKHO-QFIPXVFZSA-N 441.487 5.491 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3NC(=O)c3cccs3)o2)cc1 609061697 WKHABXXAVFMDEP-UHFFFAOYSA-N 443.484 5.296 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cnn(-c4ccccc4F)c3)cc2Cl)c1 609062249 IWSAROMBCHXKCQ-UHFFFAOYSA-N 446.869 5.368 30 20 IKED Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609072934 NVOWZUYJNQSBLW-UHFFFAOYSA-N 436.943 5.611 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N[C@@H]3CCc4nc(-c5ccccc5)ncc4C3)c2)cc1 609129566 AEXCOZDJLRHSRW-HSZRJFAPSA-N 446.510 5.095 30 20 IKED CCCCCC(=O)NC1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 609209956 XMNKZFXTOZOKAS-UHFFFAOYSA-N 434.540 5.043 30 20 IKED Cc1oc(-c2ccsc2)nc1CSCC(=O)Nc1ccccc1S[C@@H](C)CC#N 609389225 FTKIEECEZSLXRW-AWEZNQCLSA-N 443.619 5.978 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(Br)s1 609389576 ZHBZVKUUWGJXRH-LBPRGKRZSA-N 441.441 5.634 30 20 IKED N#C[C@@H](NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1cccc(Cl)c1Cl 609414676 FXLJOCFQJZMEGV-OAHLLOKOSA-N 439.224 5.193 30 20 IKED C[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(Oc2ccccc2)cc1 609421478 XTGFIDUPWDVQRB-NRFANRHFSA-N 441.531 5.383 30 20 IKED CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)cc1 609435703 HBFWCJZHJSMHPY-YWZLYKJASA-N 429.973 5.186 30 20 IKED Cc1nc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)sc1Cc1ccccc1 609500886 MLJVYPSHWCNPFR-UHFFFAOYSA-N 426.501 5.354 30 20 IKED CN(C(=O)c1ccc(NC(=O)CCCCOc2cccc(C#N)c2)cc1)C1CCCCC1 609501056 HVTZJVGPQLLQGH-UHFFFAOYSA-N 433.552 5.151 30 20 IKED COc1cc(Br)cc(C)c1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 609501333 GOUYLCCETWYJSQ-UHFFFAOYSA-N 438.281 5.077 30 20 IKED COC[C@@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(C(F)(F)F)c1 609826802 CDSINZROFONDKN-RDTXWAMCSA-N 437.487 5.466 30 20 IKED Cc1ccc(C[C@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccn2)cc1 609845384 NOVYXAGLMQXIKF-XXBNENTESA-N 430.577 5.890 30 20 IKED Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)Nc3ccc(CC#N)cc3)c12 609973508 UGJBVMIDEGQHAD-UHFFFAOYSA-N 436.393 5.535 30 20 IKED CN(C)C(=O)Nc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 610064221 YOJFMCISLUDQNS-UHFFFAOYSA-N 448.910 5.136 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(Cl)cc3Br)cn2)c1 610753725 GELFJLLBCXGSOY-UHFFFAOYSA-N 428.673 5.414 30 20 IKED CSc1cc(C(=O)N[C@H](C#N)c2ccccc2Br)c(Cl)cc1Cl 610759964 BLGQWQYPDKFJBO-CQSZACIVSA-N 430.154 5.472 30 20 IKED N#C[C@@H](NC(=O)c1sc(-c2ccccc2)nc1C(F)F)c1ccc(Br)cc1 611182538 ABURLHXTUKELJE-CQSZACIVSA-N 448.292 5.505 30 20 IKED Cc1nc(-c2ccccc2)sc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613403155 BTZKSRPWVITRBD-CQSZACIVSA-N 443.475 6.237 30 20 IKED CCN(c1ccccc1)S(=O)(=O)c1cc(NCc2ccc(C#N)cc2)ccc1Cl 619539914 KMAMJVWEELZRHB-UHFFFAOYSA-N 425.941 5.039 30 20 IKED C=CCn1c(SCC(=O)Nc2cccc(Oc3ccccc3)c2)nnc1-c1ccco1 670476780 SEHQLRNYLIUVPD-UHFFFAOYSA-N 432.505 5.247 30 20 IKED O=C(NCc1ccc(F)cc1F)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 673635479 RPAPYTQKZYNUCZ-UHFFFAOYSA-N 449.301 5.118 30 20 IKED C=CCOc1c(Br)cc(CN2CCCC[C@H]2c2noc(C3CC3)n2)cc1OC 678202637 BYIZAXNBBCXUMW-KRWDZBQOSA-N 448.361 5.010 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@H]1c1ccc(O)cc1 685551748 LONZHONBBIQHOY-JPYJTQIMSA-N 434.540 5.050 30 20 IKED COc1cccc(NN=Cc2csc(N(C(C)=O)c3cccc(C(F)(F)F)c3)n2)c1 725854820 DOCSKSRFFWRKRR-UHFFFAOYSA-N 434.443 5.301 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)cc2)[n+]2ccc(CCC)cc2)c1 726572957 RVBIRZLADRUGFI-UHFFFAOYSA-O 433.984 5.885 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 728147357 FDEMEMNMTAPNGE-QHCPKHFHSA-N 441.487 5.034 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2C 728392898 XRAIYPYJGJZUNG-KRWDZBQOSA-N 440.503 5.061 30 20 IKED C[C@H](OC(=O)c1ccccc1-c1ccccc1C#N)C(=O)Nc1ccccc1OC(F)F 729850784 SHKYUTWLKMRWQJ-HNNXBMFYSA-N 436.414 5.011 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1sc2cc(Br)ccc2c1Cl 729888097 CDCLBXXYAWOOOS-ZDUSSCGKSA-N 433.714 5.278 30 20 IKED Cc1sc2nc3n(c(=O)c2c1-c1ccccc1)CC/C3=C\c1cccc(OCC#N)c1 730151949 VDJNEEJUYUMHBX-XMHGGMMESA-N 425.513 5.280 30 20 IKED COc1cc2c(cc1NC(=O)CNc1ccccc1SC[C@H](C)C#N)oc1ccccc12 731029148 XGAIWCVSSWDHIL-MRXNPFEDSA-N 445.544 5.897 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 731372674 AGDPKVBQWGSBOA-SFHVURJKSA-N 429.545 5.116 30 20 IKED FC(F)(F)CC(=Nn1c(S)nnc1-c1cccs1)c1ccc(Br)cc1 731924120 SPFPOALIFSNLQH-UHFFFAOYSA-N 447.305 5.263 30 20 IKED Cc1c(C(=O)/C=C/c2csc(-c3ccc(C(F)(F)F)cc3)n2)c(C#N)c2n1CCC2 731938016 OEVWPCNFBPVLNS-CMDGGOBGSA-N 427.451 5.653 30 20 IKED Cc1cccc(C)c1NC(=O)CCCOC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 732380740 SBNITHVPNFEZAY-UHFFFAOYSA-N 442.515 5.738 30 20 IKED N#C[C@H](C(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1)c1nc2ccccc2o1 732496445 VOSHRPPWGDBKRB-OAHLLOKOSA-N 442.422 5.001 30 20 IKED CC(=O)Nc1ccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1C 733629434 HYDBFRPRXVDTQU-UHFFFAOYSA-N 448.910 5.702 30 20 IKED COc1cc(/C=C2\CCOc3c(Br)cccc3C2=O)ccc1OC(F)F 733748887 MPGWQTFPDZEFEY-FMIVXFBMSA-N 425.225 5.108 30 20 IKED COc1ccc(Br)cc1CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 744035853 SWOFBOHHNBQOCJ-CYBMUJFWSA-N 435.730 5.140 30 20 IKED COc1ccc(Br)cc1CC(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 744036279 ZEDNNHUTROSCMM-KRWDZBQOSA-N 441.350 5.309 30 20 IKED N#C[C@@H](C(=O)CCCOc1ccccc1Cl)c1nc2cc(C(F)(F)F)ccc2s1 748010124 PJWIWGDROPPRDM-ZDUSSCGKSA-N 438.858 6.004 30 20 IKED C/C(=C\C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c1ccc(C(F)(F)F)cc1 748176742 XTVCVWHVWPTSQP-GXDHUFHOSA-N 426.360 5.571 30 20 IKED C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl 750684741 TXYXYPNXOJQCFI-DOMZBBRYSA-N 444.343 5.370 30 20 IKED C/C(=C/C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1OC(F)F 753396959 WWQUCPSPIKVSSQ-BCTQVIJGSA-N 439.245 5.346 30 20 IKED N#C[C@H](C(=O)CCc1cc(Br)ccc1F)c1nc(-c2ccccc2)cs1 759216746 FQXGCFVWBDOJEM-MRXNPFEDSA-N 429.314 5.521 30 20 IKED COc1cc(F)c(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1OC 760265900 XHXKPUNVEYIGGJ-TWGQIWQCSA-N 444.459 5.019 30 20 IKED N#Cc1cccc([C@H]2CN(Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)CCO2)c1 761758691 AEZRYKWLZBAZHK-HXUWFJFHSA-N 429.467 5.274 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)Nc3ccc(OCc4ccccc4Cl)cc3)CCO2)c1 761839861 MULOXGGFLQQDHY-DEOSSOPVSA-N 447.922 5.396 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC=C(c2cccc(Br)c2)CC1 762895268 SMXPOLJTUMSIGX-HNNXBMFYSA-N 426.314 5.061 30 20 IKED CC/C=C(\C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 764754915 LCLWLKLTCSPTGH-GQCTYLIASA-N 428.213 5.328 30 20 IKED C=CCn1c(-c2cnccn2)nn(CN2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c1=S 764899098 QDYQWENGWLIUPN-GOSISDBHSA-N 447.395 5.158 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H](O)c1ccc(-c2ccccc2)cc1 767764155 UKXCOGFYTLCBRJ-JPYJTQIMSA-N 431.561 5.460 30 20 IKED Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1 770097771 BIHSJXIFULGWKE-SFHVURJKSA-N 437.952 5.392 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C(C)(C)c1cccc(Cl)c1F 772486442 RZFSFTJKMWWJDC-AWEZNQCLSA-N 448.947 5.190 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2sc(-c3ccccc3F)nc2C)ccc1OC 772977914 CWYYYVAPXZBPIB-YJBOKZPZSA-N 439.556 5.798 30 20 IKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)OCCC(C)(C)C#N 776363026 FUPAVJUKXRLFAE-AWEZNQCLSA-N 441.578 5.169 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1CC(=O)OCc1ccc(C(F)(F)C(F)(F)F)cc1 777800595 LCWZZOAFLAAYRQ-UHFFFAOYSA-N 444.322 5.002 30 20 IKED C=CC[C@@H](C(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1)c1ccccc1 778429281 VWYGYPFXXTZMSM-HSZRJFAPSA-N 448.588 6.156 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccc(F)cc3F)C2)cc1 779398177 WOFNMUWVEDRONL-UPVQGACJSA-N 433.458 5.226 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccnc(Cl)c2)ccc1OCC(=O)N(C(C)C)C(C)C 779460256 MJCZEKAUCOPHKG-VQHVLOKHSA-N 444.959 5.054 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)NCc1ccc(C#N)cn1 782050469 LAVPVYADBFDFJU-UHFFFAOYSA-N 442.498 5.320 30 20 IKED C#C[C@@H](Cc1ccccc1)OC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 786966311 QMMFJJSLQZYLRH-KRWDZBQOSA-N 429.303 5.154 30 20 IKED N#C[C@H](C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1nccc2ccccc12 792093034 GXQLHXMLAXZYGQ-FXAWDEMLSA-N 438.314 5.023 30 20 IKED CCN(C(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 793170254 ZZFWMACEEMQFQQ-SFHVURJKSA-N 433.552 5.469 30 20 IKED Cc1ccccc1[C@H](O)C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 806206981 JXCIBPJIEAPEHH-RUZDIDTESA-N 442.519 5.032 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cc(F)ccc2[N+](=O)[O-])cs1 806559467 BOVXYDMVKWGSQK-UITAMQMPSA-N 445.859 5.425 30 20 IKED N#Cc1c(F)cccc1/C=C(/Cl)c1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1 811688767 ROKUOUZZRPZZOJ-OVCLIPMQSA-N 425.847 5.538 30 20 IKED CC(C)(C)OC(=O)N1CCC(=CC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)CC1 815015880 SDZYHQNKXBMRIP-UHFFFAOYSA-N 447.535 5.033 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc2ccccc12 915725592 JLIFRBDVDFVFEL-AFMDSPMNSA-N 433.511 5.311 30 20 IKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(C2CC2)C1=O)Nc1ccccc1F 916217293 JZXKZSSZDPIXRM-OAQYLSRUSA-N 433.508 5.102 30 20 IKED N#CCOc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)c1 916409724 HOOQXAHKFYIMSS-UHFFFAOYSA-N 439.880 5.554 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)[C@H](C#N)c1ccc2ccccc2n1 916848242 HLEGGPODLSISKR-QGZVFWFLSA-N 435.314 5.585 30 20 IKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCCC(C)C 916906287 PNRSZGNLFTUTRC-HNNXBMFYSA-N 449.334 5.388 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 916928224 WOWGEESODIRQOB-HNNXBMFYSA-N 448.306 5.302 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cc1 916953459 CIVXJFSURVPGIK-HRAATJIYSA-N 435.524 5.508 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(OCCC(C)C)cc2)cs1 917562374 GKYYTYYVEGHEHW-NTEUORMPSA-N 448.588 6.457 30 20 IKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccsc2)C1=O)Nc1ccc(F)cc1 917674309 MDUWJPKQMBARDN-LJQANCHMSA-N 439.537 5.048 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2Cl)cc1 917876930 UNTOZERJFFKNMJ-UHFFFAOYSA-N 438.783 5.073 30 20 IKED Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1 919802591 YSCOMOJJYWCHGA-HNAYVOBHSA-N 437.952 5.181 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/COc3c(F)cc(F)cc3C2=O)cs1 920066791 XWHADNNGBRZMJU-SDQBBNPISA-N 446.862 5.418 30 20 IKED CCOc1ccc(OC(C)(C)C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 920140887 CPCMGZOLDLYKOV-HXUWFJFHSA-N 436.533 5.251 30 20 IKED Cc1ccc(-c2ncccc2C(=O)NC2(c3ccc(NC(=O)CCC#N)cc3)CCC2)cc1 1787886288 RGZNXWJDIMSFFK-UHFFFAOYSA-N 438.531 5.109 30 20 IKED Cc1ccoc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1788692933 JACWWWCUSCADHJ-UHFFFAOYSA-N 433.895 5.175 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4cnccc4c3)cc2)CCC1 1789015214 HDPZZZHVMOZGKF-UHFFFAOYSA-N 425.532 5.176 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)cc3OC)CCC2)cc1 1789455717 ADTQSUYWHAJNOU-QFIPXVFZSA-N 448.563 5.220 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)c3ccc(C)cc3)CCC2)cc1 1790569601 GHMZLWBFODVXCC-PMACEKPBSA-N 435.568 5.034 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@@]3(F)CCCCC3(F)F)CCC2)cc1)C(F)(F)F 1791302611 CBULFVUKDYAWPW-IBGZPJMESA-N 448.407 5.157 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ccc(OC)cc34)CCC2)cc1 1791728878 CWIDNNBBJDYDNL-UHFFFAOYSA-N 443.547 5.118 30 20 IKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCS3)cc2)CCC1 1792011106 ICAYVCFCOAJRLL-NRFANRHFSA-N 442.701 5.067 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CC4CCCC4)CCC3)cc2)c1 1792122845 SKZVLEXTJWSFPY-IBGZPJMESA-N 429.564 5.642 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4coc(Cl)n4)CCC3)cc2)c1 1792123225 ODQUYKXQGODRIS-OAHLLOKOSA-N 448.910 5.017 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)n[nH]1 1820505187 NXJCATZRSWYPFN-ACJLOTCBSA-N 435.355 5.235 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cnc2Cl)CC1 1826191732 GAQLEFLTRBRWBU-OAQYLSRUSA-N 446.035 5.269 30 20 IKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829903716 CCABCBLQGVXMSI-XMMPIXPASA-N 445.563 5.016 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C3CC3)cc2)CC1 1830752231 XGUFSWMOCNGCQY-JOCHJYFZSA-N 430.539 5.009 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)cc2Cl)CC1 1832030996 CFKPHAVAYDZDIU-QHCPKHFHSA-N 429.004 5.075 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@]3(C)CC=CCC3)CC2)c1 1832410143 BCWVHCQIBZNHII-AHCMPFEKSA-N 447.623 5.293 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccccc2Cl)cc1 22730375 GYRBRWMIGHGHPN-UHFFFAOYSA-O 445.942 5.909 30 20 IKED CCOc1cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)ccc1OCCOc1ccccc1 23133998 JYQNECKIMKLVHA-UHFFFAOYSA-N 444.531 5.597 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1 25439177 ZNSUEHGNLNWZBV-UHFFFAOYSA-N 425.410 5.946 30 20 IKED CCCn1c(SCCC(=O)Nc2cccc(C#N)c2)nnc1-c1ccc(Cl)cc1 26224682 JLEPSTPYBMTSLG-UHFFFAOYSA-N 425.945 5.001 30 20 IKED C=CCn1c(SCc2noc(C(C)(C)C)n2)nc2scc(-c3cccs3)c2c1=O 28007554 XXTSPJZYGIODCG-UHFFFAOYSA-N 444.607 5.345 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(COc2cccc(F)c2)ccc1OC 58439665 MCAGNSNEZXAYPY-UHFFFAOYSA-N 445.494 5.505 30 20 IKED N#CCCn1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)c(-c2ccccc2)n1 58786878 WZYWDRAKEXREBZ-RUZDIDTESA-N 437.478 5.374 30 20 IKED C=CCN(C(=O)c1snnc1CC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 61204830 WLBIKUBLEZURQD-UHFFFAOYSA-N 425.366 5.364 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 63251493 UEEXYWHMOZHKNM-UHFFFAOYSA-N 435.936 5.354 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(=O)CCC)cc2)nnc1-c1ccoc1C 115119267 TTXNDLRTFQGZLQ-MRXNPFEDSA-N 438.553 5.135 30 20 IKED CC1CCN([C@H](CNCc2cn(CCC#N)nc2-c2ccccc2)c2cccs2)CC1 236731109 OQJJMBVEESOWHL-HSZRJFAPSA-N 433.625 5.088 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(C3CCC3)cc2)cc1Cl 427713508 PZYMUJMUXUVPFC-HSZRJFAPSA-N 443.934 5.840 30 20 IKED Cc1noc(C)c1CSc1ccccc1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 430640817 HZXFFGPVXKMZTJ-MRXNPFEDSA-N 425.579 5.828 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](Cc1cccc(Cl)c1F)C(C)=O 436211685 RYJDOQFHKFWGTA-LJQANCHMSA-N 429.948 5.140 30 20 IKED C=CCN1CCC(NC(=O)Nc2cc(-c3nc4ccc(F)cc4n3C(C)C)ccc2C)CC1 438702008 HDXNLNLZGHLQPB-UHFFFAOYSA-N 449.574 5.504 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ncccc1C(F)(F)F 446245809 STOBTZRFHTXTNH-LBPRGKRZSA-N 430.270 5.543 30 20 IKED C=CCC[C@H](NC(=O)Nc1cc([C@@H]2CCCOC2)nn1C)c1ccc(C(F)(F)F)cc1 448083026 YCTDCIZNGMHACP-AEFFLSMTSA-N 436.478 5.162 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 460956009 GHBJXJSJOKPUOM-JGVYIQDASA-N 446.979 5.249 30 20 IKED Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1 465886623 FUYSMDHFXCAQNR-XPPFLTOGSA-N 447.579 5.024 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccccc1CN(C)Cc1ccco1 466005203 GOYSUHXMZFBRNS-UHFFFAOYSA-N 444.000 5.524 30 20 IKED N#CCSCCCSc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 466622008 ASIWKUIRGSFMRJ-UHFFFAOYSA-N 449.399 5.088 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 469662290 LXYZLGNCFWAAKS-JXFKEZNVSA-N 447.526 6.716 30 20 IKED Cc1ccc(C)c([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 470538903 TWVFCMXYHNBIAE-DEOSSOPVSA-N 430.552 5.255 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2csc(-c3ccc(Br)s3)n2)n1 474444604 IDIOVEHUIWYUAV-SECBINFHSA-N 438.397 5.704 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 475567112 BOTAYFQAGNUPIX-HXUWFJFHSA-N 448.542 6.139 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 475570553 JMDBGZLTFNRZOW-PMACEKPBSA-N 449.595 5.110 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)nnc1-c1ccncc1 477560418 KCDAELZVJGGNOF-HNNXBMFYSA-N 437.956 5.996 30 20 IKED CCc1c(-c2ccncc2)n[nH]c1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 479561303 UEILVDJQLUKLOA-UHFFFAOYSA-N 425.517 5.309 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 480187327 BMLPVVKVUOFKON-MRXNPFEDSA-N 431.989 5.636 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 480591103 HHMRQYYFCOGEBQ-CVEARBPZSA-N 448.514 5.500 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Nc3cnn(Cc4ccccc4)c3)cc2F)c1 481567439 HTUHGNVAIRHLBP-UHFFFAOYSA-N 441.466 5.165 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1nccc2ccccc12 483213250 AHZHUNWLOBTNJV-HXUWFJFHSA-N 443.846 6.079 30 20 IKED COc1ccc([C@H](NC(=O)CCc2ccc(C#N)cc2)c2ccccc2)cc1Br 485467457 JBNHCLKITMZEIA-XMMPIXPASA-N 449.348 5.168 30 20 IKED CCc1c(NC(=O)c2ccc(F)cc2C(F)(F)F)cnn1-c1cccc(C(F)(F)F)c1 486399570 HTIGGKVJJFXFPQ-UHFFFAOYSA-N 445.338 5.864 30 20 IKED CCNC(=O)Nc1ccc(C)c(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 490300888 ONVHHNNDABZXKZ-GOSISDBHSA-N 441.535 5.558 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cc(Cl)ccc2Br)c1 494688451 IDFJGJJWTZZLMR-UHFFFAOYSA-N 431.673 5.398 30 20 IKED C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1nc(-c2ccncc2)cs1 498477244 YLJXIBZAWUYQMM-MRXNPFEDSA-N 442.569 5.719 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2nnc(-c3ccccc3)s2)cc1 498775203 NVECMHCBSAWGQI-UHFFFAOYSA-N 428.542 5.621 30 20 IKED COc1ccc(C#N)cc1NC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 500191876 XOLKKEKBDIKCCO-CYBMUJFWSA-N 427.913 5.136 30 20 IKED COc1cc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C)c(OC)c1 502151161 LWZBXJBFZONJKB-UHFFFAOYSA-N 431.492 5.301 30 20 IKED COCCOc1ccc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C)c1 502639073 XVYRHHYESOZZKP-UHFFFAOYSA-N 445.519 5.309 30 20 IKED CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)Nc2cc(C)n(CCC#N)n2)cc1 504244779 BDPBLITZFLOAGP-UHFFFAOYSA-N 438.535 5.081 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c2cc(Br)ccc2n1 505699851 GTHVIAABIQFPRM-QGZVFWFLSA-N 449.333 5.314 30 20 IKED N#C[C@@H](NC(=O)c1ccccc1SCc1cccs1)c1cccc(Br)c1 506536921 DNYBQUIZOVRYCJ-GOSISDBHSA-N 443.391 5.798 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1 508135054 WKHBNRAZOPBMCF-PMACEKPBSA-N 428.454 5.262 30 20 IKED Cc1c(C#N)cccc1C(=O)N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21 509478971 LMSGIFAJLZLMSF-UHFFFAOYSA-N 428.467 5.243 30 20 IKED C=CCNc1nnc(SCc2csc(-c3ccc(Br)cc3)n2)s1 510875372 BBPLTKXWGJZRED-UHFFFAOYSA-N 425.402 5.314 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 510942898 GJJLOBQZQHVZQR-UHFFFAOYSA-N 443.450 5.077 30 20 IKED CN(C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)C1c2ccccc2-c2ccccc21 511366335 IINGCGISUZMZDO-UHFFFAOYSA-N 438.531 5.055 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCCCc1nc(-c2ccc(C)c(F)c2)no1 512063995 KRHGRFYXEWIDQA-UHFFFAOYSA-N 449.555 5.277 30 20 IKED CCN(CC)c1nc2sc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cc2s1 512974352 FDDGQMVOAOJNPP-ZDUSSCGKSA-N 439.591 5.213 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)n2)cc1 515205019 JQTQCQIFFFSATJ-UHFFFAOYSA-N 449.923 5.347 30 20 IKED C=CCc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc(OC)c1OC 515651474 QECAPDVYXBJCMM-UHFFFAOYSA-N 442.515 5.330 30 20 IKED C=CCN1CCC(NC(=O)[C@@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)CC1 517353551 SJOMVUBJWSRUJQ-NRFANRHFSA-N 435.420 5.593 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3CCCN(Cc4ccccc4)C3)c2)cc1 517730347 RGUWMPNOASLLET-RUZDIDTESA-N 439.559 5.182 30 20 IKED Cc1nc(COc2ccc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)cc2)no1 518143674 WNAXAIFJPIBHHZ-UHFFFAOYSA-N 444.422 5.012 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)Cc1ccccc1-c1ccccc1 518159073 QESRHLFGHRCNLB-IBGZPJMESA-N 443.572 5.202 30 20 IKED Cc1ccc(-n2nnc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2C)cc1 518175121 SFBFRMBCRHZFKD-SFHVURJKSA-N 433.924 5.151 30 20 IKED Cc1ccc(-n2nc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c3c2CCC3)c(C)c1 518240814 FPWCABBZZFGEML-GOSISDBHSA-N 430.577 5.624 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1OC 521088501 XTFYSQUSNBMQEC-GOSISDBHSA-N 430.504 5.443 30 20 IKED Cc1nc(NC(=O)CCCCOc2ccc(Br)cc2)sc1SCC#N 521762307 JHAHZVYWFHQPLX-UHFFFAOYSA-N 440.388 5.018 30 20 IKED COc1cc(N(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)cc(OC)c1OC 525604668 AEPSQMZRAFRDFF-UHFFFAOYSA-N 448.544 5.153 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H](OC3CCOCC3)c3ccccc3)cc2)cc1 533917847 KQTLQXBKYWMLRK-VWLOTQADSA-N 428.488 5.226 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](CO)c3ccc(C(F)(F)F)cc3)cc2)cc1 536286343 MWHUDMQHTHWVRH-NRFANRHFSA-N 441.409 5.224 30 20 IKED CC[C@H](C)n1ncc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1C1CC1 536347673 FKAUVSNEBIDLEO-JSGCOSHPSA-N 426.492 5.623 30 20 IKED N#CCC[C@H](NC(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ccccc1 537909281 VANJHWGVISPKGX-AWEZNQCLSA-N 437.372 5.384 30 20 IKED COc1cc(F)c(NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1OC 540553406 IOMFVERMAOWJDP-HNNXBMFYSA-N 440.315 5.287 30 20 IKED N#CC1(c2ccccn2)CCN(Cc2ccc(OCc3c(F)cccc3Cl)cc2)CC1 548791611 CWQWRGVVXUYCKY-UHFFFAOYSA-N 435.930 5.510 30 20 IKED Cc1cccc(-c2cc(Cl)ccc2NC(=O)N2CCC(C#N)(c3ccccn3)CC2)c1 548807957 HSBYEXFULRYCQA-UHFFFAOYSA-N 430.939 5.800 30 20 IKED Cc1cc(Br)c(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1Cl 553289682 GGJQLEMFXOONCO-HNNXBMFYSA-N 431.639 5.424 30 20 IKED CCOC(=O)C(C)(C)C1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 554205753 IFGPYOLPATYRQW-UHFFFAOYSA-N 435.524 5.184 30 20 IKED C[C@H](NC(=O)N1[C@H]2CC[C@H]1CC(c1ccnn1C)C2)c1ccc(-c2cccc(C#N)c2)cc1 555141860 QMSMWRCAQMEXJY-WDNCENIBSA-N 439.563 5.140 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 562411759 SORLPIQGJMLGAO-QANKJYHBSA-N 430.371 5.378 30 20 IKED C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 566381251 DLLJZVIJQDYWJZ-XLIONFOSSA-N 439.962 5.362 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1)[C@@H]1C[C@H]1C 573993199 FFTHJNPUUVMMJI-WXTAPIANSA-N 439.515 5.559 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)COc2ccc3oc4ccccc4c3c2)c1C 579294659 VOPUHFWNKOSIOA-UHFFFAOYSA-N 436.471 5.278 30 20 IKED C=CCSc1ccccc1NC(=O)CN1CCC(c2noc3cc(F)ccc23)CC1 580179343 KYPWJJAQVQCLHV-UHFFFAOYSA-N 425.529 5.063 30 20 IKED Cc1cccc(-c2nnc(SCC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)o2)c1 603504690 NXDZEKQYSWSLNL-UHFFFAOYSA-N 426.929 5.046 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc(OC)c1OC 603601073 MTKFZJCGXVBSBH-UHFFFAOYSA-N 429.476 5.052 30 20 IKED CCCOc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1OC 603691504 GIQWPABIWMIFBD-QGZVFWFLSA-N 446.507 5.426 30 20 IKED Cc1cccc([C@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 604085371 AFYAHYZBRPPKDH-AREMUKBSSA-N 425.532 6.009 30 20 IKED CSCc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)oc2ccccc12 604445329 VLNNOMMTDUMSNH-CYBMUJFWSA-N 440.496 6.188 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)[C@@H](OC)c2ccc(Cl)cc2)cc1 605915107 JRUCVYKZMZGZLX-HTAPYJJXSA-N 441.959 5.052 30 20 IKED CN(C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1)c1ccc(C#N)cc1F 609216365 INEWLANZVHKQTD-UHFFFAOYSA-N 443.247 5.668 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(Br)cc2)cc1 609322131 GDXJKQYRZLBEMQ-UHFFFAOYSA-N 437.362 5.543 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 609377356 VNHMMNXQYXTKHC-QMHKHESXSA-N 438.499 5.975 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2nc3ccccc3s2)CC1 609402056 ZYROILWGZPEPQW-MRXNPFEDSA-N 436.606 5.960 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cn2)cc1 609503949 LCGRAPRLHAXTBA-UHFFFAOYSA-N 433.427 5.057 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3c3cccc4c3OCCO4)cc2)cc1 609517636 DYGKZMIKUVROHK-XMMPIXPASA-N 440.499 5.293 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(Cc2ccc(F)cc2)CC2CC2)cc1C 609666888 KHFMWMFILXTCGZ-UHFFFAOYSA-N 430.527 5.272 30 20 IKED Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)NCc3ccc(C#N)cc3)c12 609967664 WVFYYQIOJJJQNQ-UHFFFAOYSA-N 436.393 5.019 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 610324221 VGDKRLZRFQULPP-QGZVFWFLSA-N 437.565 5.786 30 20 IKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N[C@@H](C)c1cccc(C#N)c1 610362093 KVOCRNNTUMWLPF-INIZCTEOSA-N 425.488 5.386 30 20 IKED N#Cc1cc(Cl)c(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c(Cl)c1 611488341 MBGZUHFMBXBKNR-HNNXBMFYSA-N 432.355 5.051 30 20 IKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)C2CCCC2)nnc1-c1ccoc1C 613908476 UTDKXYCUBMOIBO-JOCHJYFZSA-N 436.581 5.172 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 615971440 KJAGVGPKYJRKOH-UHFFFAOYSA-N 433.310 5.935 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccc(C#N)c(Cl)c2)cc1 619828172 NRGKSUHFYFBVBG-UHFFFAOYSA-N 432.886 5.134 30 20 IKED N#C[C@H](C(=O)c1ccccc1Oc1cccnc1)c1nc(-c2c(F)cccc2F)cs1 623036509 QRDARNSXLNUROI-MRXNPFEDSA-N 433.439 5.766 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc4c(cnn4Cc4ccccc4)c3)n2)cc1 642281271 VOSBIVZYQVBEEI-QFIPXVFZSA-N 449.539 5.402 30 20 IKED C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 669806378 KMVRPDQFAILYSR-JOCHJYFZSA-N 427.552 5.046 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC[C@](F)(c2ccccc2)C1 670108255 XBVYIZMFWGUNPS-WBTNSWJXSA-N 426.376 5.176 30 20 IKED C=C(C)[C@H](CC(=O)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1)OCC 677304909 FNDXYKAKMSPSDP-ZEQRLZLVSA-N 441.616 5.073 30 20 IKED CN(Cc1cc(F)c(F)c(F)c1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 679150779 JKZFYBAKSGIUIG-NXEZZACHSA-N 436.318 5.155 30 20 IKED O=c1c2ccccc2nc(S)n1N=Cc1sc(Nc2ccccc2Cl)nc1Cl 725859513 PQMLRLROFLDICD-UHFFFAOYSA-N 448.360 5.074 30 20 IKED C#Cc1cccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1 726440608 XYRHPEKHFZWEFN-UHFFFAOYSA-N 426.585 5.013 30 20 IKED N#CCCCOc1cccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1 726801782 MWLGWGPJSSUCQB-WQRHYEAKSA-N 432.929 5.567 30 20 IKED CC(C)(C)n1cc(/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)c(-c2ccccc2Cl)n1 731159120 NEVDGVSTAUPZJC-RAXLEYEMSA-N 449.938 5.811 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cccc(OC2CCCC2)c1 731288057 ONDPRWJSERCWPB-LJQANCHMSA-N 430.476 5.284 30 20 IKED C[C@](O)(C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1C(F)(F)F 735848362 IZJAINBQAXTTRW-HSZRJFAPSA-N 440.421 5.002 30 20 IKED CN(C(=O)c1ccco1)c1ccccc1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739750073 PQDVWXWTTVVTEM-UHFFFAOYSA-N 441.512 5.086 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H](O)c3c(F)cccc3F)cc2Cl)cc1 741062213 JQBJUWACZWVNOA-IBGZPJMESA-N 443.837 5.137 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)cc1NC(=O)Nc1ccccc1 741429065 BNAORNCQNIHZOS-GOSISDBHSA-N 446.894 5.254 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=S)N[C@@H]1CCOc2ccccc21 741485743 GORAUCNDILOQEE-OAHLLOKOSA-N 437.512 5.521 30 20 IKED COc1ccc(-c2cc3nc(/C(Cl)=C/c4ccc(OC)c(C#N)c4)[nH]c(=O)c3s2)cc1 741849685 ZLNFOZBWPGITKJ-YVLHZVERSA-N 449.919 5.277 30 20 IKED CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C#N)o2)NC(=S)N1c1ccccc1Cl 743742788 OVWDLYCGWWCPIC-OAQYLSRUSA-N 448.935 5.153 30 20 IKED Cc1sc2ncn(N=Cc3sc4ccccc4c3Cl)c(=O)c2c1-c1ccccc1 744685716 WWXOVVFBPQCVAD-UHFFFAOYSA-N 435.961 6.184 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2ccccc2Cl)n1)c1nc2cc(C(F)(F)F)ccc2s1 748010409 PLHDXNZNLJNYHH-GFCCVEGCSA-N 446.841 5.644 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)cc1C#N 752303997 UATDHYMBQDOXHP-AWEZNQCLSA-N 435.509 5.133 30 20 IKED CC[C@@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC[C@H]1NC(=O)OC(C)(C)C 757388805 RRFJMGYBBNYFLT-AUSIDOKSSA-N 449.551 5.116 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(Br)c(F)cc2F)cc1 757835463 DYJFSFYHKUMHFQ-QGZVFWFLSA-N 427.248 5.635 30 20 IKED C[C@H](OC(=O)CSCc1ccc(C#N)cc1)c1nnc(-c2ccc(Cl)cc2Cl)o1 757990397 GBUPINYDUDIGRZ-LBPRGKRZSA-N 448.331 5.453 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H]3C[C@@H](O)c3ccco3)c2)cc1 758576007 DOOPCGOWSNSIHK-ISKFKSNPSA-N 445.519 5.045 30 20 IKED N#CCCn1ncc(C(=O)OCc2coc(-c3cccc(Cl)c3)n2)c1-c1ccccc1 759079785 LOGNDJLGIVNWQQ-UHFFFAOYSA-N 432.867 5.129 30 20 IKED CCc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)cc1)CCC2 764053088 OAQAHXMTBFFLCJ-RBBKRZOGSA-N 430.577 5.902 30 20 IKED N#C[C@@H](C(=O)CCc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(SC(F)F)cc1 766842588 ZNTZLHYCMZNPKO-INIZCTEOSA-N 442.409 5.300 30 20 IKED N#C[C@@H](C(=O)CN(Cc1cccc(-c2cccnc2)c1)C1CC1)c1nc2ccccc2s1 767429625 DVUNRYOQLQVDNI-QFIPXVFZSA-N 438.556 5.199 30 20 IKED N#CCOc1ccc(CN2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1 769229378 KENLVKLGJZXSQO-LJQANCHMSA-N 444.375 5.200 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c1 772619207 HYEYAMROGPFJDC-KSSFIOAISA-N 443.828 5.263 30 20 IKED COCCc1nc(C)c([C@@H](C)OC(=O)c2cccc(OCc3ccccc3C#N)c2)s1 773912620 QXHRPHNDLOOBIA-QGZVFWFLSA-N 436.533 5.009 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(C#N)c(F)c2)cs1)c1ccc(F)cc1F 776726371 IXGDAPASGLZLPK-ALCCZGGFSA-N 427.407 5.013 30 20 IKED C[C@@H](OC(=O)c1ccc(C#N)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 778542983 NFZFWWSERJWAGO-SECBINFHSA-N 431.197 5.068 30 20 IKED N#CCC1CCN(Cn2nc(Nc3ccc(SC(F)F)cc3)sc2=S)CC1 781572100 LSHKNQUCKUUTTC-UHFFFAOYSA-N 427.571 5.316 30 20 IKED CSC[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(C(F)(F)F)cc1 781912475 QHMONRBJDQUZTK-FQEVSTJZSA-N 435.515 5.054 30 20 IKED C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(N2CCCCC2)c(F)c1 786960745 VRZAUHUPAFNXQV-IBGZPJMESA-N 434.559 5.572 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cc(Br)cnc3Cl)c2)cc1 787949733 GOTVEFRSTIMCIA-UHFFFAOYSA-N 428.673 5.414 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C 789454608 BRCJTLBKCVZLAY-UXHICEINSA-N 427.589 5.544 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)O[C@H](c3cccc(C(F)(F)F)c3)C(C)C)CC2)o1 790891561 RRTVVVYSBLZYTL-IBGZPJMESA-N 435.446 5.030 30 20 IKED N#C[C@H](C(=O)[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1)c1nccc2ccccc12 792094154 DDHKOZUVULAWMW-AGSDICPUSA-N 443.934 5.159 30 20 IKED O=C1O[C@H](CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CC12CCC2 792278651 FDRYCXVPUBXNMX-QWHCGFSZSA-N 449.313 5.403 30 20 IKED N#CCCN(CCC#N)Cn1nc(SCc2cccc3ccccc23)sc1=S 798149617 DQVCUNZXUBONKE-UHFFFAOYSA-N 425.608 5.206 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3[nH]ccc3-c3c(Cl)cccc3Cl)o2)c1 799593534 YQAWNRTTXWHVQT-UHFFFAOYSA-N 439.258 5.267 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)cc1 800649863 SNSFHEWRFIDBDQ-PFBJBMPXSA-N 447.538 5.127 30 20 IKED COc1cc(COC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)ccc1OCc1cccc(C#N)c1 803737933 QUEQLTCVUUJKKY-MOPGFXCFSA-N 433.426 5.168 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 813216094 NFQYFACDKZPCQU-YJLNNSPDSA-N 447.457 5.179 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3cccc(F)c3)n2)cc1 916953935 FIHXYSPPDBHYIO-QVKFZJNVSA-N 435.524 5.353 30 20 IKED N#C[C@@H](C(=O)COCCOc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997041 RNKUZVABMVPVQR-KRWDZBQOSA-N 447.343 5.389 30 20 IKED N#C[C@@H](C(=O)CCCc1nc(-c2ccc(F)cc2)no1)c1nc(-c2ccccc2)cs1 917026722 NBRGRGVPTSJJQI-SFHVURJKSA-N 432.480 5.198 30 20 IKED N#C[C@H](C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 917043581 MHDUZPVJISEQDN-CYBMUJFWSA-N 444.356 5.633 30 20 IKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(F)cc1 918276270 CRFHDWVSVMMKJD-RPWUZVMVSA-N 443.522 5.323 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3nc(-c4ccc(C)c(F)c4)no3)n2)cc1 918490656 UWLOZSRJNIHFCZ-GOSISDBHSA-N 446.507 5.425 30 20 IKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN(Cc2cccs2)C(C)C)c1=S 919956836 ODTFOPBSJYWIQM-FQEVSTJZSA-N 442.610 5.042 30 20 IKED N#C[C@H](C(=O)c1cc(Cl)c2c(c1)OCCO2)c1nc(-c2c(F)cccc2F)cs1 920804747 YBKISSFFZNBLHL-LLVKDONJSA-N 432.835 5.003 30 20 IKED COc1ccccc1-c1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)C)C3)c(O)n1 1527278744 SZOHVRFPVCTZCR-HNNXBMFYSA-N 447.560 5.409 30 20 IKED CN(Cc1nc(O)c2ccccc2n1)C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1677631694 IUJRIPYXOKZYNE-UHFFFAOYSA-N 441.516 5.022 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)Cc4c[nH]c5ccc(C)cc45)CCC3)cc2)C1 1785806934 SXHUOWHXIYZDFB-UHFFFAOYSA-N 427.548 5.119 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3cnccc3C)CCC2)cc1 1789453103 KMQJDLIFKTYUBG-XMMPIXPASA-N 431.580 5.225 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ncc[nH]4)cc3)CCC2)cc1 1791730028 DCASNOVEVLEFQN-UHFFFAOYSA-N 440.547 5.018 30 20 IKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc3ccc(C)cc3s2)[C@H]1c1cccnc1 1812221362 KIEYZMDEBLVYJG-NSXLHWASSA-N 447.604 5.137 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(Cl)cc2)n[nH]1 1816934301 XOCNYGHXQSMOIM-TZIWHRDSSA-N 440.975 5.066 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)[nH]n1 1821921756 UMTPSQFORBGLHF-JLTOFOAXSA-N 439.947 5.063 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823214339 BVZHFYGKRJPGLU-QTGUNEKASA-N 445.567 5.111 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)cc2F)CC1 1829071671 VSDXIQBILBKQKL-HSZRJFAPSA-N 446.582 5.119 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2c[nH]c3cc(C)ccc23)CC1 1831378260 VKUWHLVGHXHPOO-FOVHPINOSA-N 447.623 5.321 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C)c2Cl)CC1 1832031608 RRKACSKVTZDCTF-JOCHJYFZSA-N 429.004 5.075 30 20 IKED CCCn1c(SCC(=O)N(CC#N)c2ccccc2)nc2ccc(C(F)(F)F)cc21 23870294 ILWBDSUTFCPUBZ-UHFFFAOYSA-N 432.471 5.114 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 25438995 BNXHAZXHSJDERR-HXUWFJFHSA-N 425.532 5.132 30 20 IKED Cc1ccccc1-n1ccnc1SCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 26047198 YLBCPUBGGDOFOC-GOSISDBHSA-N 430.558 5.273 30 20 IKED COc1ccc(-c2n[nH]c(/N=C(\O)[C@@H](C)c3ccc4cc(OC)ccc4c3)n2)c(OC)c1 63531489 CVGCPWPOURZDNW-AWEZNQCLSA-N 432.480 5.042 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 64455612 VGTAXTSACCEKSB-UHFFFAOYSA-N 425.897 5.095 30 20 IKED COc1ccc(/C=C2\C[C@H](C)Cc3c2nc2ccccc2c3C(=O)N(C)CCC#N)cc1 71837099 YZIMKMTWLDCHAY-ONZPZFSWSA-N 425.532 5.352 30 20 IKED Cc1nccn1-c1ccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)cc1F 72032909 OZRGCFVHXUGFNH-UHFFFAOYSA-N 442.519 5.273 30 20 IKED C[C@H]1CCCCN1Cc1ccc(CNC(=O)c2ccc(COc3ccccc3C#N)o2)cc1 108136764 SWORTPHIJWODJX-FQEVSTJZSA-N 443.547 5.035 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3sccc3-c3ccccc3)s2)cc1 255948953 DAGCWUNLBZRHRQ-UHFFFAOYSA-N 434.571 5.683 30 20 IKED Cc1ccc(-c2nc(CCNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)co2)cc1 303160688 FERAAGGUJAEQBL-UHFFFAOYSA-N 438.487 5.678 30 20 IKED COc1ccc(SCCC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 303297328 YENQZXYPPVCCJS-DEOSSOPVSA-N 432.545 5.137 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(COc2ccccc2Br)cc1 410265323 IVXDOWCUEPVOFT-UHFFFAOYSA-N 435.321 5.172 30 20 IKED N#Cc1c(NC(=O)c2cccc(COC3CCOCC3)c2)sc2c1-c1ccccc1CC2 429013511 UZPBYPYXCGTSAW-UHFFFAOYSA-N 444.556 5.333 30 20 IKED N#CCCN(CC1CC1)C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 429119222 YDRDKLNSXOIYFU-UHFFFAOYSA-N 448.420 5.254 30 20 IKED Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1 432764746 JQCVBZYATPIJCH-YKSBVNFPSA-N 432.568 5.566 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1ccc(O)cc1OC(C)C 433520605 PHLHRMPDOZHJOE-UHFFFAOYSA-N 431.492 5.583 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)cc1F 437463964 BHALBDYSHPSYOE-LJQANCHMSA-N 449.507 5.185 30 20 IKED Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 437515392 NBHUXWPXJZLENC-JTHBVZDNSA-N 446.576 5.203 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NC[C@H]3CCC[C@H](C(F)(F)F)C3)c2)c1 438619792 DVJRHXBOQXLTQM-WMZOPIPTSA-N 444.457 5.301 30 20 IKED CC(C)c1nnc2n1CCN(C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)[C@H]2C 439231597 VTRXITBGPVOVKM-JXFKEZNVSA-N 448.958 5.319 30 20 IKED CCn1ncc2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c(C)nc21 440754525 BVBHTPCTSWYMQD-NRFANRHFSA-N 429.911 5.321 30 20 IKED Cc1cccc(CN(CC#Cc2ccc(OC(F)(F)F)cc2)Cc2cccc(C)n2)n1 440948601 HMZPPEPJXOZGLQ-UHFFFAOYSA-N 425.454 5.046 30 20 IKED N#Cc1ccc(C2(C(=O)Nc3ccc(Oc4ncc(Cl)cn4)c(Cl)c3)CC2)cc1 447692461 FKQZDYPDCAOKQM-UHFFFAOYSA-N 425.275 5.118 30 20 IKED C=C(C)Cn1c(SCC(=O)N(c2cnc3ccccc3c2)C(C)C)nnc1-c1ccco1 448460306 YKVGLBFBAFXOBA-UHFFFAOYSA-N 447.564 5.196 30 20 IKED CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1ccc(Br)s1 460172798 WMTKWINVKGMIMF-OAHLLOKOSA-N 428.359 5.002 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)Cc2coc(-c3ccccc3)n2)c1 460340480 SPUFNFOZNCAMIO-UHFFFAOYSA-N 427.891 5.643 30 20 IKED C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CC=C(c2cccc3ccccc23)CC1 460567938 QNCGGAQDVAAJGW-FQEVSTJZSA-N 432.568 5.025 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(OCc2ccccn2)cc1 460953925 FKSUXKUALMYJCW-UHFFFAOYSA-N 435.483 5.885 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCC(=O)NCC1(c2ccc(F)cc2)CCCC1 462231709 LATONLPNWWRORO-GOSISDBHSA-N 425.573 5.260 30 20 IKED Cc1ncsc1-c1nc2ccccc2n1CC(=O)Nc1ccccc1S[C@H](C)CC#N 463754954 KYDWPZYWAITGGO-OAHLLOKOSA-N 447.589 5.501 30 20 IKED COc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)CCO2 468743577 MGKZUYJXJGBCIH-QFIPXVFZSA-N 430.529 5.113 30 20 IKED C=CCC[C@H](NC(=O)N1CCSC[C@H]1c1nccs1)c1ccc(C(F)(F)F)cc1 474016590 JGESZJKHIRCBPZ-IRXDYDNUSA-N 441.544 5.669 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 475545487 KAHWRSJRIPXCLP-UHFFFAOYSA-N 430.552 5.010 30 20 IKED CC(C)c1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)CCC2 477721613 TYYNILMLEBGRHS-LAUBAEHRSA-N 435.593 5.337 30 20 IKED C=C(C)Cn1c(S[C@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)nnc1-c1ccncc1 478716912 WHVROKOPDMNRLW-KRWDZBQOSA-N 449.363 5.229 30 20 IKED CCCN(C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@H]1CCCc2cccnc21 481311279 USWSBDPAMHVDSB-FQEVSTJZSA-N 434.931 5.114 30 20 IKED CCCC[C@@](C)(NCc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(Br)c1 483060596 OQIBUCJNBGVSNT-JOCHJYFZSA-N 439.357 5.566 30 20 IKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)c3nccc4ccccc34)cc12 483227095 JPRARMVJTFSICP-HXUWFJFHSA-N 426.476 5.573 30 20 IKED Cc1cc(Br)cc(C)c1N(CC(F)F)C(=O)C[C@H](CC#N)c1ccccc1 484074375 JVIURHWUIHSUPI-KRWDZBQOSA-N 435.312 5.752 30 20 IKED Cc1ccccc1CN(Cc1ccccn1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 486243968 KIDCAVNLKVYCKT-UHFFFAOYSA-N 437.499 5.276 30 20 IKED C[C@@H](C#N)CSc1ccccc1NCC(=O)Nc1ccc(Br)cc1Cl 487388822 IVASOWLDYUURHK-LBPRGKRZSA-N 438.778 5.405 30 20 IKED C=C(C)Cn1c(S[C@H](C)c2nc(O)c3c(C)c(C)sc3n2)nnc1-c1ccncc1 489395651 FMPPFVRNOXAGJG-CQSZACIVSA-N 438.582 5.097 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)C(=O)Nc1ccccc1Cl 489612649 FDMLVINWRPBVAN-MRXNPFEDSA-N 442.972 5.124 30 20 IKED Cc1csc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c1Br 489722497 ZFBKGUYWZXDNLJ-GOSISDBHSA-N 441.350 5.393 30 20 IKED C=CCN(C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 494083591 PKEDETGFLFXNHI-OALUTQOASA-N 439.924 5.694 30 20 IKED C[C@H](Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 495669767 PEOLEDINWGMINO-FUHIMQAGSA-N 437.609 5.643 30 20 IKED C[C@@H]1CCC[C@H](OCc2cccc(N[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)c2)C1 495669770 PEOLEDINWGMINO-HLIPFELVSA-N 437.609 5.643 30 20 IKED Cc1c(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cccc1C(=O)Nc1ccccc1 498465091 RFYCOAJARLGHSO-DEOSSOPVSA-N 427.504 5.161 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1Cl 498879418 HVRSDWHOAGTUEK-GOSISDBHSA-N 447.926 5.019 30 20 IKED CCCCN(C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)[C@H](C)c1ccccc1 501507490 ACSAEJCYCVGCEL-QGZVFWFLSA-N 432.549 5.010 30 20 IKED C=CCC[C@@H](NC(=O)CCc1cc2ccccc2nc1O)c1ccc(C(F)(F)F)cc1 502573736 WOUNYWDDXRKUPS-HXUWFJFHSA-N 428.454 5.716 30 20 IKED N#C[C@@H](C(=O)c1cc2c(s1)CCOC2)c1nc(-c2ccc(Cl)cc2Cl)cs1 503579154 JQXNWEMBHFDQQX-ZDUSSCGKSA-N 435.357 5.741 30 20 IKED CC[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(F)c1)c1nc(C(F)(F)F)cs1 504906887 BSGVIEZTHJBYEG-SNVBAGLBSA-N 445.360 5.515 30 20 IKED Cc1ccc(OCc2nc(CC(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)cs2)cc1 505547820 VKSYXTBOXZIDDI-SFHVURJKSA-N 446.359 5.261 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 505966395 QJVFHDSULJKZNT-OAHLLOKOSA-N 437.780 5.456 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3CCC[C@H]3c3cccc4ccccc34)CC2)c(F)c1 506743389 LSENQAYVUFNWHA-VWLOTQADSA-N 427.523 5.431 30 20 IKED COc1ccccc1OCc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)o1 507908159 JOBBBMYVJLMIMD-UHFFFAOYSA-N 440.455 5.783 30 20 IKED C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@H](c2ccccc2OC)C1 508848911 OTXLNABHIUXDBI-VQTJNVASSA-N 448.567 5.005 30 20 IKED COc1ccc(C)cc1[C@@H](C)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511541817 UNBWSYYEYWXPKA-QGZVFWFLSA-N 428.492 5.010 30 20 IKED CCOC(=O)c1ccc(C#N)c(S[C@H](C)c2ncc(-c3ccc(Cl)cc3Cl)o2)n1 512781532 SOECFDHTKKRDSM-LLVKDONJSA-N 448.331 5.945 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)cc1 516741350 TYFZFGHRIZOCNR-DNQXCXABSA-N 439.515 5.132 30 20 IKED Cc1cc(Br)oc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 517461206 DFLCBZNMDHVNLV-UHFFFAOYSA-N 433.249 5.627 30 20 IKED CCc1sc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)nc1-c1ccccc1 517507239 KBEXFBVAYIZMIB-UHFFFAOYSA-N 432.549 5.038 30 20 IKED Cc1ccc(OCCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(Br)c1 518241169 ZMCFGZHRJOEKPL-HNNXBMFYSA-N 433.371 5.559 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)c1ccc(C(F)(F)F)cn1 518586098 FNNVJLDVUPJRIS-AWEZNQCLSA-N 438.377 5.920 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CC1(C(=O)O)CCCCCC1 518667213 YBRGENMPIGGXPS-UHFFFAOYSA-N 428.476 5.465 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1I 518740087 HLSGJKWIRGGICZ-ZDUSSCGKSA-N 436.318 5.246 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)cc2)cc1 521356810 VQGIKWRTMCVXMT-NRFANRHFSA-N 449.919 5.446 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCCC(=O)Nc1cccc(Cl)c1C 523221900 BZBGCTJKRHQBEJ-UHFFFAOYSA-N 426.369 5.090 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3ccc(-c4ccncc4)cc3)c2)c1 523559877 DEMASNXWDAXEQR-UHFFFAOYSA-N 447.498 5.194 30 20 IKED COc1ccc(NC(=O)c2c(F)cc(C#N)cc2F)cc1OCc1ccc2ccccc2n1 531505953 ZBWOFKAFCJVCTK-UHFFFAOYSA-N 445.425 5.225 30 20 IKED Cc1ccc(C)c(OC2CCN(CC(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)c1 532931063 JDYFBFWEMCTENY-HXUWFJFHSA-N 437.609 5.180 30 20 IKED CCOc1ccc(F)c(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1F 534896165 RMMSGDAHJXANJE-UHFFFAOYSA-N 428.822 5.933 30 20 IKED CC(C)c1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cnn1-c1ccccn1 535403901 JMIBJOJFQLCEPO-QGZVFWFLSA-N 447.951 5.658 30 20 IKED COc1ccc(C[C@@H](NCc2ccc(C#N)cc2OC(F)F)c2ccccc2)cc1OC 537058369 YWJGWKFPLOLOFR-OAQYLSRUSA-N 438.474 5.250 30 20 IKED C=CCCOCCCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCC2 539404693 ICZXTIGHEZHFTI-UHFFFAOYSA-N 426.607 6.215 30 20 IKED CCCCc1noc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1 541195234 LRMZXRHWMGRRNV-AWEZNQCLSA-N 449.317 5.843 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CC[C@H](CSc3ccccc3)C2)n1 543888537 RAGMJMAUXIEFFK-INIZCTEOSA-N 437.956 5.043 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H](OCc2c(C)noc2C)C1 545870654 RSOITMGVNUFKEB-QFIPXVFZSA-N 446.507 5.087 30 20 IKED C=CCn1c(-c2ccc3ccccc3c2)nnc1N(C)Cc1nc([C@@H](C)OCC(C)C)no1 548850650 SWUGJLSIZBQQKD-GOSISDBHSA-N 446.555 5.037 30 20 IKED C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CCC(C(=O)c2ccccc2)CC1 549598934 UFHUQQDXGGMNID-UHFFFAOYSA-N 434.971 5.198 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CC1(CC(=O)Nc2nccs2)CCCCC1 553916796 LQKSORGWYXJSCW-UHFFFAOYSA-N 438.597 5.121 30 20 IKED CCCN(C(=O)c1cccs1)C1CCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1 555093676 XXFBQJLKBDRCPO-UHFFFAOYSA-N 435.515 5.155 30 20 IKED Cc1nc([C@H]2CCCOC2)sc1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 556418774 YLFHEMBKNRNKKE-INIZCTEOSA-N 437.496 5.401 30 20 IKED CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H](CCCC#N)c1ccccc1 556625851 SSRMOTQBXVMTQD-SFHVURJKSA-N 429.973 5.330 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)NCc1nc2cc(Br)ccc2o1 556905158 LQPUDAIVFOYOLN-UHFFFAOYSA-N 432.277 5.059 30 20 IKED C[C@@H](CC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1cccc(C(F)(F)F)c1 557122217 QANQEURUBWYWDW-HNNXBMFYSA-N 434.433 5.280 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NC[C@@H](NCc3ccccc3)c3ccco3)c2)cc1 557462079 SMQAAJJPATYCTI-RUZDIDTESA-N 437.499 5.204 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CCCN(C)Cc1ccco1 558310877 GMGUFIHQQUUCNM-UHFFFAOYSA-N 432.524 5.238 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 562164355 LKYJOOGHOQVUMD-NBGIEHNGSA-N 434.609 5.068 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@@](F)(c3ccccc3)C2)cc1 564345689 DDEFPLNNPCGJJV-SANMLTNESA-N 429.495 5.434 30 20 IKED COc1cccc(C2=CCN(C(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)CC2)c1 568081951 LCYMLALGPCWCRY-UHFFFAOYSA-N 449.982 5.143 30 20 IKED CSC[C@@H]1CCCN(C(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)C1 568310160 MXXVVFVVIQNMIT-QGZVFWFLSA-N 443.638 5.240 30 20 IKED CCn1ncc(NC(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)c1C(F)(F)F 572297364 SERFEMMSFIVCQF-MRXNPFEDSA-N 438.347 5.043 30 20 IKED C[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@@H]1OCCc2sccc21 576012651 BIBDIYDTVPRSNC-WNSKOXEYSA-N 436.508 5.226 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)o2)cc1 590388467 CCALDSSHHRFZTG-HXUWFJFHSA-N 425.469 5.344 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N(Cc1ccc(F)cc1F)C1CC1 590855269 OCBCAUSPYYEUDD-RYUDHWBXSA-N 444.366 5.548 30 20 IKED Cc1c(C(=O)N2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@H]32)sc2ccc(C#N)cc12 594641493 YNRRDGGITSHIAC-AZOUXBGGSA-N 441.600 5.064 30 20 IKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1[C@@H](C)c1ccccc1 603917220 GEBMGAISRBXVRP-MHPIHPPYSA-N 447.608 5.089 30 20 IKED N#CCCCOc1cccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 603971076 HUWAKWOXUPAQRI-UHFFFAOYSA-N 439.415 5.027 30 20 IKED N#Cc1c(NC(=O)c2cccc(OCc3cscn3)c2)sc2c1-c1ccccc1CC2 603992279 OYXJZXWRAZGEIM-UHFFFAOYSA-N 443.553 5.673 30 20 IKED Cc1c(Br)cccc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 608552863 HVZSCUAWKVTFDR-GFCCVEGCSA-N 439.256 5.876 30 20 IKED Cc1cc(Sc2ncccn2)ccc1NC(=O)c1occc1COc1cccc(C#N)c1 608895460 JZKPCPCUCDWBPP-UHFFFAOYSA-N 442.500 5.232 30 20 IKED C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc(C#N)cc1 609080833 VQCRTNFSJHPARV-INIZCTEOSA-N 430.895 5.545 30 20 IKED N#CCn1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc2ccccc21 609173264 ROOCQXQWWSUYFS-UHFFFAOYSA-N 440.890 5.521 30 20 IKED N#CCN1CCC(NC(=O)c2oc3ccccc3c2CSc2ccccc2Cl)CC1 609330013 HLQAKVYZVTVKCA-UHFFFAOYSA-N 439.968 5.096 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 609377715 CXWVLZPACSRLMH-IRXDYDNUSA-N 438.553 5.335 30 20 IKED Cc1nn(-c2ccc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)cc2)c(C)c1Cl 609460462 YWTCPYHPNDPJKX-SFHVURJKSA-N 432.833 5.156 30 20 IKED COc1cc(CSc2nnc(-c3ccoc3C)n2C)ccc1OCc1cccc(C#N)c1 609721919 CIRDKEQCXVTCSQ-UHFFFAOYSA-N 446.532 5.135 30 20 IKED COc1cc(CN2CCCO[C@H](c3ccccc3)C2)ccc1OCc1cccc(C#N)c1 609739071 WAOJTTSANQKDKJ-MHZLTWQESA-N 428.532 5.109 30 20 IKED COc1cc(CSCC(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1cccc(C#N)c1 609741103 DUQSOLZCGJDSTD-PGRDOPGGSA-N 438.593 5.074 30 20 IKED Cc1ccc(C[C@H](NC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccn2)cc1 609845382 NOVYXAGLMQXIKF-CVDCTZTESA-N 430.577 5.890 30 20 IKED CC(C)(C)C[C@H](NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(Cl)cc1 610350092 PXCLILUTEZNRBT-NRFANRHFSA-N 439.991 5.052 30 20 IKED COCCN(CCC#N)C(=O)Nc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1C 610559536 WMNZYVJUBJIPOC-UHFFFAOYSA-N 437.519 5.126 30 20 IKED COc1cccc2c1OCC[C@@H]2NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 611802659 WQGWYSOBHVOSFX-SBUREZEXSA-N 427.504 5.118 30 20 IKED C=CCOc1ccc(C(=O)N[C@@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)cc1 611919812 VKNCQCIOEZEFDA-SFHVURJKSA-N 432.495 5.063 30 20 IKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)cc2)cc1 613292745 UQPALPOXUVDGOO-HSZRJFAPSA-N 440.524 5.007 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1Br 613315605 QGQMDAKKNXLWCA-OAHLLOKOSA-N 427.323 5.380 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(OCC)cc2C)nnc1-c1ccc(Cl)cc1 614989121 LWXLCRYPXMRBPJ-UHFFFAOYSA-N 442.972 5.222 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 615682564 DNUZDKXQIVJSBM-KBPBESRZSA-N 426.376 5.433 30 20 IKED C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]1c1ccc(O)cc1 642718058 UOKZEFLVVRXBMR-HXUWFJFHSA-N 436.581 5.202 30 20 IKED C=CCn1c(COc2ccccc2F)nn(CN(CC)Cc2c(F)cccc2F)c1=S 725782063 WNSQCDYHPVHEJU-UHFFFAOYSA-N 448.514 5.076 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1csc(-c2c(F)cccc2F)n1 726319350 GYWMLYREJVARMD-OAHLLOKOSA-N 439.487 5.174 30 20 IKED C#Cc1cccc(NC(=S)N(Cc2ccccc2)[C@@H](C)c2cccc(NC(C)=O)c2)c1 726453434 FNHKZPYPUWAIIY-IBGZPJMESA-N 427.573 5.587 30 20 IKED C[C@H](OC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCC2 727926311 CMDURHYFFAGGAY-GDLCADMTSA-N 449.359 5.089 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)c1ccc(COc2ccc(C#N)cc2)o1 728110890 XHAPPMKMUBKRSV-SFHVURJKSA-N 446.503 5.346 30 20 IKED N#C[C@H](C(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1)c1ccc2ccccc2n1 730393787 BNLDNJMRTMGDIT-UQBPGWFLSA-N 430.479 6.223 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(C2CC2)nc2ccccc12 731067378 REPLVHOIKWNXGD-INIZCTEOSA-N 445.544 5.159 30 20 IKED N#CCOc1ccc(CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)cc1 731156097 GXJWNYPXWSPIHV-UHFFFAOYSA-N 434.471 5.407 30 20 IKED Cc1nc(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)[nH]c1Cc1ccccc1 731938128 BUNQPTQUFYZEMI-IBGZPJMESA-N 444.585 5.401 30 20 IKED O=C(/C=C\c1ncc(-c2ccc(Br)cc2)[nH]1)c1sccc1Br 732714583 VNSWBTCNIMDISA-WAYWQWQTSA-N 438.144 5.559 30 20 IKED O=C(/C=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)c(Br)c1 733084176 XOKWALKUYKJLDS-FNORWQNLSA-N 433.258 5.516 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2N(C)Cc2ccccc2)c1 733844643 RTEAJJJAMGYKCM-JOCHJYFZSA-N 428.536 5.326 30 20 IKED N#Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3C(F)(F)F)cs2)cc1Cl 735611216 SKXXRCAJSDIBKJ-UHFFFAOYSA-N 443.859 5.155 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)cc2)nc1 739595404 IETNXMABKDGNPX-UHFFFAOYSA-N 436.496 5.276 30 20 IKED O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(S(=O)(=O)CC(F)F)cc1 741853275 ZOZLTQHCJKPPKI-KRXBUXKQSA-N 438.801 5.294 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 743194856 RFRYPODGXGLEEZ-UHFFFAOYSA-N 427.863 5.044 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCCC[C@H]2c2cccc(C)c2C)ccc1OC 745819675 ONCDQLCLYFPWAZ-GMAHTHKFSA-N 435.568 5.430 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(-c3cccc(OC)c3)cc2)c1 745822164 YBCUCDRBMMJEPG-QHCPKHFHSA-N 429.520 5.043 30 20 IKED C[C@H](OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnc(-c2ccc(F)cc2)o1 746143638 LXVDCIIZUNCNGL-VIFPVBQESA-N 448.294 5.831 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@H]3C[C@@H](O)c3ccc(F)cc3)c2)cc1 746248752 FWDUFHLKALSJHT-AZGAKELHSA-N 444.506 5.005 30 20 IKED C[C@@H](OC(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@@H](C)c1nc2ccccc2s1 749220565 OXXCUSACPZGDLT-QZTJIDSGSA-N 435.549 5.059 30 20 IKED Oc1c(Cl)cc(Cl)cc1/C=N/C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 749749098 VFMLJFUCEJIPPZ-WSLJYYCZSA-N 447.284 5.210 30 20 IKED CCc1ccc(N(C(C)=O)c2nc(CON=C(c3ccccc3)C(F)(F)F)cs2)cc1 751964553 AKRDJTRZWFVNKH-UHFFFAOYSA-N 447.482 5.873 30 20 IKED Cc1ccc(N2CCOC2=O)cc1NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 756955139 YWYZRZCFPGNSCD-UHFFFAOYSA-N 427.460 5.176 30 20 IKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1C1CC(F)(F)C1 757873992 MEBNKWLAFGPLCH-GOSISDBHSA-N 443.519 5.061 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cncc(-c3ccc(Cl)cc3)c2)cc1Cl 757875658 SPGVZKAFAICBRR-GOSISDBHSA-N 440.286 5.025 30 20 IKED CC(C)(C)OC(=O)N(CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1ccccc1 761103245 BXMVIKKZZMLMSB-MRXNPFEDSA-N 425.485 5.053 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 772436071 SEBXZDMLKYAEMP-WMZOPIPTSA-N 444.601 5.087 30 20 IKED CC(C)c1c(C(=O)OC[C@@H](C#N)Cc2cccs2)cnn1-c1ccc(C(F)(F)F)cn1 772737376 SFJKSTBMLFHABL-CQSZACIVSA-N 448.470 5.010 30 20 IKED COc1cc(C(=O)Nc2ccccc2O[C@H](C)C#N)ccc1OCc1ccccc1Cl 781034852 OZFNPWPKRMLTJF-MRXNPFEDSA-N 436.895 5.471 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3ccccc3F)nc2)cc1C#N 786206506 WGTRDSMDKOJNSR-UHFFFAOYSA-N 435.415 5.097 30 20 IKED C[C@@H](Oc1ccc(C(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)cc1)c1ccccc1 788228378 SRDYEICKEJEFBJ-QGZVFWFLSA-N 425.444 5.105 30 20 IKED N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(Nc3ccc(F)cc3)c3ccncc23)cc1 791582042 DFNQOAJUYDBBAB-IBGZPJMESA-N 435.462 5.310 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(C(=O)N(C)C)cc2)ccc1OCc1ccccc1 792924558 MQRWIWMSQGMBDE-YBEGLDIGSA-N 429.516 5.262 30 20 IKED C#CCOc1ccc(/C=C2/SC(=S)N(CCCCC(F)(F)F)C2=O)cc1OCC 794862200 NXQYCPKSJUXIJE-GHRIWEEISA-N 443.512 5.031 30 20 IKED CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 796760597 CIYRXYANOSRXQI-NVXWUHKLSA-N 433.961 5.189 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)s1 797573659 UWTIXHAHPHHPCC-PMACEKPBSA-N 430.529 5.385 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Cc3cncc4ccccc34)n2)cc1 805864924 RFOJZSJSGRNVID-ZHRRBRCNSA-N 427.529 5.422 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(Br)ccc2O)cc1 806201216 UKXHEVKPVPIBCZ-HXUWFJFHSA-N 436.309 5.132 30 20 IKED O=C(/C=C\c1c(Br)cncc1Br)c1ccc(Cl)c([N+](=O)[O-])c1 806565703 SAFVHULBOZBDEC-RQOWECAXSA-N 446.482 5.064 30 20 IKED C#C[C@@H](NC(=O)N1CCC(c2nc(-c3ccccc3OC)cs2)CC1)c1ccc(F)cc1 812934271 TXFRDDOZIXMGDQ-OAQYLSRUSA-N 449.551 5.221 30 20 IKED C=CCOc1cc(OC)ccc1-c1nc(-c2ccc(CNC(=O)OC(C)(C)C)cc2)no1 904719566 YNNQXLQDDGVIAI-UHFFFAOYSA-N 437.496 5.002 30 20 IKED O=S(=O)(Nc1cccc(Cl)c1)c1cccc(N=Cc2cc3ccccc3nc2O)c1 912773415 PTGKOVHMENKWQS-UHFFFAOYSA-N 437.908 5.145 30 20 IKED CCN(CC)[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 915353721 WPQQCNYPSZWYNE-FTJBHMTQSA-N 426.564 5.547 30 20 IKED C=CCOc1ccccc1C=Nn1c(C)nc2scc(-c3ccc(Cl)cc3)c2c1=O 916272614 FBJFFHCKZGNWRU-UHFFFAOYSA-N 435.936 5.534 30 20 IKED N#C[C@H](C(=O)CSc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)cc2)cs1 916628024 IPEUNZIIYIDDSW-MRXNPFEDSA-N 429.910 5.340 30 20 IKED CON=Cc1ccc(C(=O)C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 916845371 VINXFEDWOGTPRP-UHFFFAOYSA-N 443.553 5.901 30 20 IKED C[C@@H](Sc1ccccc1Cl)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916885945 APBMUDNGQZKFNZ-RISCZKNCSA-N 440.924 5.483 30 20 IKED Cc1nc(-c2ccccc2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916887384 NSHYIRDJJSYTAD-INIZCTEOSA-N 443.500 5.394 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)COc1ccc(Cl)c2ccccc12 916906441 HJVUZTFISMFGRU-HXUWFJFHSA-N 434.923 5.344 30 20 IKED Cc1ccc(Cl)c(O[C@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 916910806 UMLKFNYLEJBJDI-MJGOQNOKSA-N 448.906 5.556 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 916953264 BCUQNZNNIJRORO-IERDGZPVSA-N 445.544 5.475 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 917043632 LHJNBUIYPQVFEC-HNNXBMFYSA-N 427.913 5.787 30 20 IKED Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917047445 XNWZNYLSQFFADH-IEBWSBKVSA-N 439.968 5.279 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\C(=O)c3c(O)ccc(F)c3[C@@H]2C)cs1 917559210 FZQJKFMFFFAGBM-WIWNTQSISA-N 426.444 5.195 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(C2CC2)[C@@H]2CCc3ccccc32)c1=S 919943696 QTCLOKFVSXSRHS-JOCHJYFZSA-N 432.593 5.385 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\COc3cc(C)cc(C)c3C2=O)cs1 920066529 RUERGXDXBSJAPM-MHWRWJLKSA-N 438.936 5.757 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 920102416 CXCVKRBWVXNNBS-BBRMVZONSA-N 436.924 5.369 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1csc(-c2ccc(Cl)s2)n1 920109401 FJUIQSQWUOSNIK-SECBINFHSA-N 440.308 5.279 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1nc2ccccc2n1C(F)F 920113211 SONISBROJDQQHT-LLVKDONJSA-N 448.907 5.689 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCC(=O)c3ccc4ccccc4c3)n2)cc1 920139177 OEYQXBOALZFULE-JOCHJYFZSA-N 440.524 5.811 30 20 IKED CCN(CC)c1nc2sc(C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cc2s1 920773331 OTRJTYQVBSWXFP-AWEZNQCLSA-N 436.562 5.199 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)Cc3cnc4ccccn34)CCC2)cc1 1785843780 XGOVJONJXIWAAN-UHFFFAOYSA-N 444.579 5.003 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccnc(C(F)F)c3)cc2)CCC1 1787017244 NFPSKVGQOCXGBX-HXUWFJFHSA-N 439.506 5.535 30 20 IKED O=C(C#Cc1ccccc1)Nc1ccc(C2(NC(=O)c3cccc4ccncc34)CCC2)cc1 1787778111 XIQURNRKOSQZSG-UHFFFAOYSA-N 445.522 5.034 30 20 IKED CCOc1ccsc1C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3)cc2)CCC1 1790256273 IIDOVVSFDHOEAE-UHFFFAOYSA-N 445.544 5.080 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccc4nccn34)cc2)CCC1 1790912486 JUSOGIRYGIJRFO-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Oc3ccccc3)cc1)C2 1798591938 SAFYQORMFUPJSU-NUNAXRQHSA-N 446.591 5.723 30 20 IKED C=CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C2CCCCC2)c(C(F)(F)F)c1 1799280967 MGZMDTBJUCIAOZ-ACDBMABISA-N 448.529 5.581 30 20 IKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1 1812671740 KUKYPEGDHKHIEV-UNMCSNQZSA-N 449.586 5.295 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c(C(C)(C)C)c2)n[nH]1 1816109432 UUZRHDDHLNRMHB-FQEVSTJZSA-N 437.588 5.110 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)n[nH]1 1818932538 PDGCGLJMFUGUMG-NNXSRULWSA-N 438.616 5.202 30 20 IKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(C)(C)C)oc2C)CC1 1825953016 XIAMKLHCQZTOJW-HSZRJFAPSA-N 440.628 5.312 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1829072293 WTZDIJFFXPKNHI-BWKNWUBXSA-N 449.639 5.539 30 20 IKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(C)C)cc2)CC1)C(F)(F)F 1830060903 OBMHKSZTVATMMR-OAQYLSRUSA-N 436.518 5.162 30 20 IKED Cc1csc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832629343 NMKRQYNDQCOCJH-WMZHIEFXSA-N 449.620 5.231 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(F)cc2)[n+]2ccc3c(c2)CCCC3)c1 10829462 PJMMAVMPYIVDLU-UHFFFAOYSA-O 433.572 5.660 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cccc(C)c2)cc1 22729040 RIGUIUMBDQIZET-UHFFFAOYSA-O 425.524 5.564 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(F)cc3)n2)nc2cc(Cl)ccc2c1=O 24583344 VZJKPTVMSQREAL-UHFFFAOYSA-N 427.888 5.322 30 20 IKED COc1ccc(/C=C\C(=O)c2ccc(N3CCOCC3)cc2)cc1OCc1ccccc1 35043780 XXHLUMYCUVWLTG-QPEQYQDCSA-N 429.516 5.007 30 20 IKED N#Cc1ccnc(SCC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)c1 71918369 BQTOFKNYKCEIET-UHFFFAOYSA-N 440.322 5.239 30 20 IKED COc1cc(/C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccccc1 207089634 AHYPTKGBXGXALT-BENRWUELSA-N 434.488 5.196 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(-c3cncnc3)cn2)c1 410154237 IVHUANNGFXKFIP-UHFFFAOYSA-N 427.851 5.108 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)Nc2ccc(C#N)cc2Cl)nc1-c1ccccc1 426165350 HTOOGIVZWJXXBL-FQEVSTJZSA-N 434.927 6.359 30 20 IKED COC(=O)c1cc([C@@H](C)SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)oc1C 431098133 BXXBLLVOKWVLSI-DZGCQCFKSA-N 432.567 5.059 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 433663503 JAIZLBZTCMRVPL-UHFFFAOYSA-N 428.279 5.111 30 20 IKED Cc1cccc(CN(Cc2cccc(C)n2)C(=O)Nc2ccccc2S[C@@H](C)CC#N)n1 435134912 KXGIEFVTSOHCFP-FQEVSTJZSA-N 445.592 5.722 30 20 IKED CC(C)Oc1ccc(NC(=O)c2cc(Br)sc2Br)cc1C#N 435352392 DLIVTUGBIKTGOQ-UHFFFAOYSA-N 444.148 5.184 30 20 IKED CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 437059946 CKMNROJDDPGJCV-UHFFFAOYSA-N 431.945 5.100 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 437772621 JLBWLBNYQJOPDT-WBVHZDCISA-N 437.393 5.193 30 20 IKED CC(C)CNC(=O)c1ccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1Cl 437906135 QPGSRMPORMLZRL-UNMCSNQZSA-N 438.959 5.029 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1 437939000 DIVTZXDMETURIQ-FQEVSTJZSA-N 432.593 5.838 30 20 IKED CCOCCOc1ccc(Cl)cc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 437975940 GNPOWWUAQXGLQR-FPOVZHCZSA-N 427.932 5.059 30 20 IKED CC(C)(CO)[C@@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccc1 438237130 ZJXZNECFEHUFIC-QFIPXVFZSA-N 430.573 5.242 30 20 IKED COc1cc(C(C)=O)ccc1S[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 441931484 WTRVSGDTJKUCNZ-CQSZACIVSA-N 428.579 5.219 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3CCOc4c(F)cccc43)cc2F)c1 443601708 IEDQKDQIMJTPFH-NRFANRHFSA-N 435.430 5.061 30 20 IKED N#Cc1ccc(OCc2nnc(N3CCC[C@H]3c3cccs3)n2Cc2cccs2)cc1 461316711 MZODVSJDKYRQCK-FQEVSTJZSA-N 447.589 5.242 30 20 IKED N#Cc1ccc(-c2nnc(N3CCC[C@@H]3c3ccccc3Cl)n2C[C@@H]2CCCCO2)cc1 461737786 XDOFIBXPPPEBKM-NZQKXSOJSA-N 447.970 5.381 30 20 IKED Cc1noc2ncc(C(=O)Nc3ccc(Oc4ccc(C(F)(F)F)cc4)c(C#N)c3)cc12 464305991 VBOIHNWHIKBLNN-UHFFFAOYSA-N 438.365 5.466 30 20 IKED CC(C)c1ccc(-c2noc(CCC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)n2)cc1 464934479 CVOXVMMIPWXVCR-XZOQPEGZSA-N 428.536 5.091 30 20 IKED Cc1cccc(O[C@H](C)CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 466244121 RTWYDZREOXVYCG-HXUWFJFHSA-N 429.520 5.229 30 20 IKED O=C(c1cc(Cl)cc(Br)c1F)N(CCC(F)(F)F)CC(F)(F)F 468515061 KQBNYQDLEYJGNH-UHFFFAOYSA-N 430.545 5.199 30 20 IKED CC[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc2cc(OC)ccc2c1 468951146 IXHGPGFCPVNJBU-RUZDIDTESA-N 427.548 5.995 30 20 IKED CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470530718 IWXPXFMKFBLUDK-FQEVSTJZSA-N 438.959 5.066 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1[C@@H](C)CN(Cc2ccccc2)C[C@H]1C 473820327 JECQKZWVCRRQLL-PWSZPPJVSA-N 436.625 5.216 30 20 IKED COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)[C@H](C#N)c2nc(C(C)C)cs2)cc1 474427247 OLBQFKPIYQVUER-SFHVURJKSA-N 437.477 5.466 30 20 IKED Cc1c(NC(=O)c2ccc(C(C)(C)C#N)cc2)cccc1C(=O)N1CCc2sccc2C1 474577366 QMVIBOCZOWIXED-UHFFFAOYSA-N 443.572 5.309 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(NC(=O)Nc2ccccc2)s1 474982718 AMGDJRVSSUTFJB-VQTJNVASSA-N 430.533 5.304 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C(=O)Nc1cccc(OCc2cccnc2)c1 475183453 JVEVSEHAMMQSCD-UHFFFAOYSA-N 429.520 5.090 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 475545237 ASAOFCISOFHYOJ-UHFFFAOYSA-N 436.552 5.137 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2csc(-c3cnccn3)n2)cc1Cl 476863492 QQLLUJAAUVFZMA-QGZVFWFLSA-N 431.908 5.161 30 20 IKED COc1ccc(CN[C@@H](c2cc(F)cc(Br)c2)C2CC2)cc1OCCCC#N 479600029 QEOCANIQBBMESB-JOCHJYFZSA-N 447.348 5.520 30 20 IKED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)cc1 480998622 MQNZSBHYUPQEIB-VFNWGFHPSA-N 445.972 5.079 30 20 IKED COc1ccccc1-c1nnc(SCc2ccc(F)cc2C#N)n1CCc1ccccc1 483090214 RWTBDAIURBKVMI-UHFFFAOYSA-N 444.535 5.499 30 20 IKED C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H](CCCC#N)c1ccccc1 487221017 QNIGYZMOEJCIRV-KBXCAEBGSA-N 435.749 5.421 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@H](CCCC#N)c4ccccc4)cc3)o2)cc1 487346936 UAXGYMGVTHIVCH-XMMPIXPASA-N 436.515 5.877 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)nnc1-c1cccs1 489449723 OSJIOIMVUKLTOO-HNNXBMFYSA-N 440.594 5.151 30 20 IKED Cc1ccc(-n2c(SCC(=O)Nc3ccc(CC#N)cc3)nnc2-c2cccs2)cc1 489670483 AXBVZZLZGYQJEX-UHFFFAOYSA-N 445.573 5.101 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H]2SCCc3ccccc32)cc1 489923979 LWTCNQPEFCALRL-RUZDIDTESA-N 443.572 5.484 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2noc(C(F)(F)F)n2)c1 490428762 RWCQQOZDRRWPJD-UHFFFAOYSA-N 429.402 5.070 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1cc(Oc2ccc(F)cc2)ccn1 495235732 DGCLHRNGIGIMLT-UHFFFAOYSA-N 437.519 5.078 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 495681468 APVXEDISQFIBLA-GOSISDBHSA-N 447.560 5.436 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 498263314 AKYLCQUHQKBRKB-UHFFFAOYSA-N 440.415 5.068 30 20 IKED CC(C)(C)CC(=O)Nc1ccc(CC(=O)Nc2nc(-c3cccc(C#N)c3)cs2)cc1 501175451 NCPCOQLQENULQD-UHFFFAOYSA-N 432.549 5.238 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1[C@H](C)CC 504282640 VSXQZDMSFRKWEO-QZTJIDSGSA-N 440.638 5.673 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(CCC(F)(F)F)cc3)n2)cc1 504561860 WCWDFSDLPHIAQY-GOSISDBHSA-N 425.435 5.667 30 20 IKED C[C@@H](C#N)CSc1ccccc1N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 506266973 GKGKGUGHWDXFQI-KBXCAEBGSA-N 435.471 5.054 30 20 IKED COc1ccc(Br)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 510238190 GDOKSQWEUNICCP-UHFFFAOYSA-N 437.293 5.682 30 20 IKED C=C(C)CN1CCC(NC(=O)N(Cc2ccc(-c3ccccc3F)s2)C(C)C)CC1 518004077 ZDHFZHGSNGSZKA-UHFFFAOYSA-N 429.605 5.515 30 20 IKED CC(C)Oc1cccc([C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 518786082 DQQPRPHJUXOWNV-IBGZPJMESA-N 430.573 6.129 30 20 IKED CC(C)[C@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)S(=O)(=O)C1CCCCC1 520917284 WHRBQFLHBMZGOI-HSZRJFAPSA-N 440.565 5.061 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)cc1 521238018 MCNZOFDLHHULRK-FQEVSTJZSA-N 446.478 5.690 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1csc(N(C(C)=O)c2ccccc2F)n1 521711093 IXTDZLDWUNUISI-UHFFFAOYSA-N 440.500 5.063 30 20 IKED CCN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[C@@H](C)Cc1ccc(OC)cc1 521928694 LGPMHGVSQUATNZ-FQEVSTJZSA-N 428.532 5.647 30 20 IKED CN1CCC[C@@H](CNC(=O)c2cccc(OCc3ccccc3C#N)c2)[C@@H]1c1cccs1 525039044 CXZJAJWKPSXWAF-SQJMNOBHSA-N 445.588 5.012 30 20 IKED C=CCN(C(=O)CCc1c[nH]c2c(C)cccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 525521676 PKWJCOKCENCRJM-UHFFFAOYSA-N 446.532 5.660 30 20 IKED C=CCN(C(=O)c1ccc([N+](=O)[O-])cn1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 532144364 FCZOVHVZIVHUSM-UHFFFAOYSA-N 442.500 5.613 30 20 IKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H]1COc2ccccc21 533629409 FQFGKEQKIFWJIT-JPYJTQIMSA-N 427.504 5.018 30 20 IKED CCN(Cc1csc(N(C(C)=O)c2ccc(C)cc2C)n1)[C@H](C)c1ccc(C#N)cc1 533776549 ZWLFJOBQJNRCBK-LJQANCHMSA-N 432.593 5.899 30 20 IKED Cn1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(-c2ccccc2)n1 537861195 DXNHONVNEZXUET-OAQYLSRUSA-N 426.907 5.648 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccnc(OC4CCCCC4)c3)n2)cc1 537879291 UBRKDVVRARZLRE-HXUWFJFHSA-N 428.517 5.278 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(CSc2cccc(Cl)c2C#N)cs1 541173925 ZITLSOIKLOAYQV-UHFFFAOYSA-N 434.373 6.298 30 20 IKED C[C@@H](NC(=O)NCc1ccc(Cn2ccnc2)cc1)c1ccc(-c2cccc(C#N)c2)cc1 542980016 MVVAIHVPUOONTO-HXUWFJFHSA-N 435.531 5.030 30 20 IKED CN(Cc1cccc(OCc2cccc(C#N)c2)c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 544622411 ZMKBDPDYWSJYNZ-VPUSJEBWSA-N 430.523 5.628 30 20 IKED N#CCCn1cc(/C=C/c2nc(-c3ccnc(OCC(F)(F)F)c3)no2)c2ccccc21 545661275 JUJZTFBYIQDBTQ-VOTSOKGWSA-N 439.397 5.111 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)CC1 548774924 XWPPLHQGCIJLBM-QHCPKHFHSA-N 449.913 5.078 30 20 IKED Cc1ccc([C@H](N[C@@H]2CCCc3cc(C#N)ccc32)c2cccc(S(C)(=O)=O)c2)cc1 552956485 AGAHYXKEDVXCNK-FTJBHMTQSA-N 430.573 5.027 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cc(F)c(F)cc1Br 554205700 HIWJBNNAJCTLLE-NSHDSACASA-N 440.313 5.443 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC=C(c4ccco4)C3)cc2Cl)c1 558324014 NYQLGENNVJJUAN-UHFFFAOYSA-N 433.895 5.705 30 20 IKED CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1 559538743 MAFZPJRGAXDPOK-UHFFFAOYSA-N 445.950 5.049 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cc(F)c(C(F)(F)F)cc1F 562168737 RMTOICIIAZHDFM-LLVKDONJSA-N 429.414 5.557 30 20 IKED Cc1nc([C@@H](C)Nc2ccc(Oc3ccnc(C#N)c3)cc2)oc1-c1ccc(Cl)cc1 564559120 MGCVZYFCOFQNTC-MRXNPFEDSA-N 430.895 6.536 30 20 IKED C=CCOc1ccc(/C=C\c2nc(-c3ccc(Oc4ncccn4)cc3)no2)cc1OC 569750730 YHGNLIYJGXEJKW-SDQBBNPISA-N 428.448 5.063 30 20 IKED CSCC[C@](C)(C#N)NC(=O)Cc1sc(-c2ccccc2)nc1-c1ccc(C)cc1 572641326 COPKITMHEQMUOC-XMMPIXPASA-N 435.618 5.480 30 20 IKED C[C@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)N(c1nccs1)C1CCCCC1 590659804 WARALJJARVHCST-HNNXBMFYSA-N 426.611 5.135 30 20 IKED N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(SCc3ccccc3)cc2)CC1 604068480 XHEIRGCNRCMFAE-RUZDIDTESA-N 427.573 5.002 30 20 IKED Cc1nc(NC(=O)c2ccc(-n3nccc3-c3ccc(F)cc3)cc2)sc1SCC#N 604309585 OLKYFKPRLHFULT-UHFFFAOYSA-N 449.536 5.311 30 20 IKED N#Cc1c(NC(=O)COc2ccccc2OCC(F)(F)F)sc2c1CCCCCC2 609010903 KKYLEWOXCCDARL-UHFFFAOYSA-N 438.471 5.237 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)o2)cc1 609057591 KKDHNDUWJMXKBH-UHFFFAOYSA-N 436.427 5.042 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc4[nH]ccc4c3)s2)c(C(F)(F)F)c1 609344756 YTAVVUGDNXSJHJ-UHFFFAOYSA-N 426.423 5.358 30 20 IKED N#Cc1ccc(C(=O)N(Cc2ccc(Oc3ccc(Br)cc3)cc2)C2CC2)nc1 609431669 STLAMVDODCHZSU-UHFFFAOYSA-N 448.320 5.313 30 20 IKED N#Cc1cccc(COc2cccc(CNC3C[C@@H]4CC[C@H](C3)N4Cc3ccccc3)c2)c1 609544521 ZXXKRFXRCIQBGM-KPINYLBXSA-N 437.587 5.422 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cc3c(cc2F)CCC(=O)N3)c1 609723169 PVSXXQAHMJOGKT-UHFFFAOYSA-N 435.842 5.280 30 20 IKED CN1CCC(N(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c2ccccc2)CC1 609723692 UAQOUGHXDHQZDQ-UHFFFAOYSA-N 445.950 5.745 30 20 IKED COc1cc(C[S@](=O)Cc2ccc(C(C)(C)C)cc2)ccc1OCc1cccc(C#N)c1 609742942 CJAJXVJYMOHEQX-JGCGQSQUSA-N 447.600 5.892 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)c2)cc1 609784361 ROMMZEOGTUKALT-UHFFFAOYSA-N 435.867 5.074 30 20 IKED N#CCN(C(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1)c1ccccc1 609785049 YYWVERZALPOAJX-UHFFFAOYSA-N 439.302 5.808 30 20 IKED Cc1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1NC(=O)C(C)(C)C 609989219 KYXOHNFUXNFRMQ-UHFFFAOYSA-N 426.520 5.847 30 20 IKED Cc1cc(-c2cc(C(=O)N[C@@H](C)c3cccc(C#N)c3)c3cnn(C(C)C)c3n2)c(C)s1 610362212 MCLZDUKXTNRYOZ-INIZCTEOSA-N 443.576 5.720 30 20 IKED N#Cc1ccccc1COc1cccc(CN2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c1 611276673 RRKFKFQDAIIMBU-KDURUIRLSA-N 428.376 5.310 30 20 IKED COc1ccc(Cl)cc1-c1nc(SCc2ccc(C#N)cc2Br)n[nH]1 611491387 DRHAADNEFPJEGP-UHFFFAOYSA-N 435.734 5.060 30 20 IKED N#C[C@H](C(=O)c1cccc(Br)c1)c1nc2cc(C(F)(F)F)ccc2s1 613402978 ACUTZIFIAZEOPQ-GFCCVEGCSA-N 425.229 5.568 30 20 IKED O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618556393 OBFPNCGVXHETPM-INMHGKMJSA-N 440.403 5.829 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)nnc1-c1ccoc1C 643092517 VQZJZHSDXXBALF-AWEZNQCLSA-N 425.489 5.383 30 20 IKED C=CCn1c(SCCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1ccccc1OC 644493336 DPCOIQJDMJKPCS-UHFFFAOYSA-N 446.935 5.053 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(-c2ncco2)c1 677206765 MLDZWIQJDYUDFA-UHFFFAOYSA-N 430.277 5.463 30 20 IKED O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)Oc1c(F)c(F)cc(F)c1F 726319427 BHVAHIVPBFJZQN-UHFFFAOYSA-N 435.320 5.533 30 20 IKED CS(=O)(=O)c1ccc(Oc2ccc(N=Cc3cc(Br)ccc3O)cc2)cc1 726427847 ZKLBVMWWJHVLFA-UHFFFAOYSA-N 446.322 5.101 30 20 IKED C#CCOc1ccc(Br)cc1CNCc1cccnc1Oc1cccc(F)c1 727643395 WDNHSOPRGGXLLF-UHFFFAOYSA-N 441.300 5.077 30 20 IKED COc1ccc2cc([C@H](C)C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)ccc2c1 729656155 QDGDKJBVJJOQTF-SFHVURJKSA-N 440.499 5.246 30 20 IKED C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 730422606 ZNEXWLPUESIFRA-JOYOIKCWSA-N 425.337 6.099 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)O[C@@H](c3ccc(Cl)cc3)c3cccnc3)cc2)nc1 732505252 UQZXEOJNYVXPQP-DEOSSOPVSA-N 441.874 5.740 30 20 IKED N#CC1(c2ccccc2)CCC(=NNC(=S)Nc2cccc(Br)c2)CC1 732767858 ZJKOLSWXMNYNOF-UHFFFAOYSA-N 427.371 5.127 30 20 IKED N#Cc1cc(NC(=O)Nc2cc(F)ccc2Oc2ccccc2)ccc1N1CCC(O)CC1 743140682 WPKHWVMAKNZGCO-UHFFFAOYSA-N 446.482 5.095 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C(\C)c2cccc(C(F)(F)F)c2)cc1Cl 744032449 KCXUZKREUJFBJY-OQRGYWNNSA-N 436.817 5.118 30 20 IKED Cc1ccc(-c2nc(CN(Cc3ccc(C#N)cc3)c3ccc4nc(O)[nH]c4c3)cs2)o1 744407258 SCZFRWZQUFENSD-UHFFFAOYSA-N 441.516 5.372 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C/c2ccc3c(c2)OCCO3)C(=O)c2ccccc2)c(Cl)c1 747154776 LOFYYSJMFSUJHD-XSFVSMFZSA-N 447.918 5.633 30 20 IKED Cc1cc(C2=NNC(=Nc3cccc(Br)c3)SC2)c(C)n1CC(F)(F)F 749998391 RNMZODLUHBDEOM-UHFFFAOYSA-N 445.308 5.158 30 20 IKED O=C1/C(=C\c2cnc(-c3ccccn3)s2)CCC/C1=C/c1cnc(-c2ccccn2)s1 753136576 XRUAOXKGCFHIEU-MCOFMCJXSA-N 442.569 5.944 30 20 IKED Cc1nc(C(F)(F)F)c(CON=C(Cc2nc3ccccc3n2C)c2ccccc2)s1 758996356 IGKNWKXYMSJSRV-UHFFFAOYSA-N 444.482 5.521 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Oc2ccc(-c3c(C)noc3C)cc2)cc1C 759905440 TUZKZZSWRJNVRY-UHFFFAOYSA-N 440.503 5.572 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CC(=O)N(Cc1ccco1)c1ccccc1C#N)c1ccccc1 760382052 KSHONVBKKKWGPZ-QFIPXVFZSA-N 445.519 5.341 30 20 IKED Cc1ncsc1-c1nc(COC(=O)c2ccccc2SCc2ccc(C#N)cc2)no1 760996873 PJNRADRFMBJHQT-UHFFFAOYSA-N 448.529 5.023 30 20 IKED N#C[C@H](C(=O)CCCc1cccc(Br)c1)c1nc2ccccc2n1C(F)F 761048190 MWZZGCNZMQODOL-OAHLLOKOSA-N 432.268 5.393 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]32)cc1Cl 762944030 ODOGRTHAPLIEFY-AYWYSENESA-N 444.025 5.497 30 20 IKED O=C1/C(=C\c2cccc(F)c2F)CC(O)(C(F)(F)F)C/C1=C/c1cccc(F)c1F 764431361 BNAIPIFOMBZVDA-PVRNWPCDSA-N 430.319 5.366 30 20 IKED C[C@H](Cc1ccc(F)c(Br)c1)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 766324972 HYADLVWVGUBDFL-DOMZBBRYSA-N 444.329 5.162 30 20 IKED Cc1csc(SCc2ccccc2C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)n1 768173772 DWNHCCKNXXAUMV-GOSISDBHSA-N 447.507 5.757 30 20 IKED CC(C)(C#N)CCCCOC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 768507372 JYSGLWQVADJTDA-UHFFFAOYSA-N 443.887 5.377 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@@H](CC(F)(F)F)c2ccccc2C)cc1C#N 770611749 NRVGLOKNTSQYJT-SFHVURJKSA-N 434.418 5.250 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)OC[C@@H](C#N)Cc1cccs1 772731344 BZQRMDHJAWGISA-CQSZACIVSA-N 444.965 5.563 30 20 IKED CN(C)C1CCN(c2ccc(NCc3cccc(OCc4ccccc4C#N)c3)cc2)CC1 774824244 MFCMXCLSIIBOKN-UHFFFAOYSA-N 440.591 5.280 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1 789341932 HHKZXRBSBBUQRZ-CYBMUJFWSA-N 432.785 5.580 30 20 IKED C[C@@H](OC(=O)C[C@H](CC#N)c1ccccc1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 795979552 CTQTYJJMSQHCFY-QUCCMNQESA-N 448.519 5.076 30 20 IKED Cn1cc2c(n1)CCC[C@@H]2C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 798816406 KHQYJMKKIMSDKJ-JSGCOSHPSA-N 431.348 5.147 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 801628455 HAIIZPBMFRNVER-QFBILLFUSA-N 446.617 5.095 30 20 IKED Cc1ccccc1[C@H](O)C1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 804507023 UXVOEEYXOHASSP-HHHXNRCGSA-N 440.543 5.032 30 20 IKED C[C@H](Cc1cncc2ccccc12)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 805853203 HTAGXFAQOBUJCQ-JLTOFOAXSA-N 439.487 5.076 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)cc1 806229260 VVKIYGBKQRGMHR-HXUWFJFHSA-N 441.409 5.224 30 20 IKED Cc1nn(C)c2sc(C(=O)/C=C\c3cccc(NC(=O)c4ccccc4Cl)c3)cc12 806578802 LFZSKAICSGVCKN-KHPPLWFESA-N 435.936 5.745 30 20 IKED CCc1ccc([C@H](C#N)NC(=O)c2cc(Cl)c(NC(=O)OC(C)(C)C)cc2OC)cc1 809258807 HXHXKBRCUMHOHA-IBGZPJMESA-N 443.931 5.253 30 20 IKED C=CCOc1ccccc1-c1nc(-c2ccc(CNc3ccc4nc(O)[nH]c4c3)cc2)no1 809415729 TUSONKOEBLHTKG-UHFFFAOYSA-N 439.475 5.162 30 20 IKED C#C[C@@H](NC(=O)N[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1)c1ccc(Cl)cc1 811860379 LZKYHXVJZNDHDS-VGOFRKELSA-N 449.938 5.057 30 20 IKED CC(C)Oc1ccc(-c2ccc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)c(F)c2)cc1 817050272 IDJCQWVXBQYJAK-QFIPXVFZSA-N 427.479 5.473 30 20 IKED C=CCOc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 913366270 CHCGYFIMAHDAJL-LBPRGKRZSA-N 427.806 5.108 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2cc(C)c(OCc3ccccn3)c(C)c2)S1 915114773 QZMBILYGJGWWGX-HMAPJEAMSA-N 443.572 5.786 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 915351421 BLHTVLDBEVXJCY-VWLOTQADSA-N 444.966 5.345 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C\C(=O)c1ccc(OCC#N)cc1 916151841 FREMVUXUTYEDHP-KHPPLWFESA-N 426.303 5.345 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCCc3nc4ccccc4s3)n2)cc1 916973456 XTNHSDYXAJFVOQ-SFHVURJKSA-N 431.586 6.318 30 20 IKED C[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 918417813 WAVNIVYGHITMES-VGSWGCGISA-N 431.923 5.154 30 20 IKED C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920143326 VRHNSDGZZGTUCT-MLGOLLRUSA-N 442.327 5.632 30 20 IKED Cc1cc(Br)ccc1SCC(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 920265325 MYVOQNPJOLAMGH-OAHLLOKOSA-N 444.379 5.245 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=S)Nc2ccc(F)c(Cl)c2)cc1 920994239 OYUNNOGWRWFDAQ-UHFFFAOYSA-N 427.907 5.889 30 20 IKED Cc1cc(C(=O)COC(=O)c2ccccc2-c2ccccc2C#N)c(C)n1CC(F)(F)F 921182587 GQZNJZIKLAYGTG-UHFFFAOYSA-N 440.421 5.246 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc4ccoc4s3)cc2)CCC1 1788415517 IMSJUPQOVROEIJ-UHFFFAOYSA-N 430.476 5.453 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cccc(NC(C)=O)c3)cc2)CCC1 1792136034 RAOZMPSSLQDIFZ-UHFFFAOYSA-N 445.563 5.161 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(Cl)c(F)c3)CC2)C1 1804866838 PGDYWMRTALBKMM-UHFFFAOYSA-N 434.983 5.316 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C)c(C)c2)[C@H]1c1cccnc1 1811869460 ZUHLROIKVJRSRY-BJKOFHAPSA-N 433.596 5.010 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCC3CCCC3)n[nH]2)c1 1816694076 GFOCKEHPRUYHTL-JPYJTQIMSA-N 447.583 5.313 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(OC)ccc2C)n[nH]1 1821171717 SXZWSRZEYGHOAV-OAQYLSRUSA-N 438.572 5.025 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)n[nH]1 1822105004 UAPQOXMCZMVXFV-KCZVDYSFSA-N 426.605 5.058 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(C)snc3s2)CC1 1827414676 JFZBTDMIJCNDOJ-HNAYVOBHSA-N 445.654 5.112 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)nc(CC)c2)CC1 1827927164 XZPNFWAZHBUXSG-DEOSSOPVSA-N 439.644 5.178 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ncccc3c2)CC1 1828032967 PWDXHZLEWGRYCR-AHWVRZQESA-N 445.607 5.237 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)c2ccc(Cl)cc2)CC1 1831367029 DRMJTMXYPKKHMI-YDHSSHFGSA-N 431.020 5.275 30 20 IKED CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2Sc2ccccc2C#N)cc1 11460015 ASRUXKFHPSVPOL-QGZVFWFLSA-N 444.512 5.096 30 20 IKED N#CCC[C@@H](C#N)Cn1c([C@@H](Cc2ccccc2)NC(=O)c2ccccc2)nc2ccccc21 14300954 FNTRMRLVVHJDGT-WIOPSUGQSA-N 447.542 5.194 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2ccc(Br)cc2)n(Cc2ccco2)c1C 18709413 LSZIXRVJKJOPGI-UHFFFAOYSA-N 444.354 5.111 30 20 IKED C=CCn1c(SCc2cc(-c3ccco3)on2)nnc1-c1ccc(Br)cc1 18960133 PHGFXNMJNHWNRJ-UHFFFAOYSA-N 443.326 5.434 30 20 IKED C=CCOc1c(Br)cc(CNCc2cccnc2OC2CCCC2)cc1OC 30914867 PYEPFVBCQHNBTQ-UHFFFAOYSA-N 447.373 5.029 30 20 IKED C=CCc1cc(/C=C(/Cl)c2nc(O)c3c4c(sc3n2)CCCC4)cc(OC)c1O 60217523 LROBPEYWKVYNPS-XNTDXEJSSA-N 428.941 5.455 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1 72074645 YZJYIRVSRADNNV-KRWDZBQOSA-N 426.476 5.891 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)C3(c4cccc(F)c4)CCCC3)s2)cc1 255949785 PGVXIJMFPMLSCJ-UHFFFAOYSA-N 438.553 5.292 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H](c2ccccc2)O[C@H](C)C1 409811470 LLGNZYSLQIXMNH-KBMIEXCESA-N 427.504 5.653 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Br)cc1Cl)c1nc2cc(Cl)ccc2s1 429879908 PEZMGMGHYXMNLD-JTQLQIEISA-N 441.137 5.611 30 20 IKED CN(Cc1ccccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1)C(=O)c1cccs1 432944999 WUYWFAJPFXZWTF-NRFANRHFSA-N 446.576 5.577 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)cc1F 437470349 JBLLTCPYJZJAGL-UHFFFAOYSA-N 441.418 5.587 30 20 IKED COc1c(C)ccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C 437547866 JYWPSCOHIOKDTA-HXUWFJFHSA-N 447.922 5.198 30 20 IKED Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 439118489 WDEMIGCSEMACOS-UHFFFAOYSA-N 435.867 5.454 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1 439572789 QMUJTJIOEKDZDR-ZFGGDYGUSA-N 449.595 5.538 30 20 IKED O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 444085750 ICHIKERKRRFYTA-UHFFFAOYSA-N 448.329 5.263 30 20 IKED CC(C)N(C[C@H](O)COc1ccccc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 444904193 ZTLGNCFIMCBREG-QFIPXVFZSA-N 445.519 5.033 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(c2ccc(O)cc2)CC1 460574805 GGNCGQLENMLSMS-UHFFFAOYSA-N 425.536 5.159 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@](CO)(Cc4ccccc4)C3)c2)cc1 463751239 DYMDYWHLHKHEBQ-MHZLTWQESA-N 441.531 5.200 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NCc1nnc(-c2ccc(C#N)cc2)o1 467258947 PLLPARVVQXOLID-UHFFFAOYSA-N 443.894 5.435 30 20 IKED COC[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(C(F)(F)F)c1 469051572 QLMJTEZZIYSBHS-FQEVSTJZSA-N 431.458 5.088 30 20 IKED FC(F)(F)c1cc([C@H]2CN(c3nccc(C(F)(F)F)n3)CCO2)cc(C(F)(F)F)c1 469558239 IHWZXFGYYGENOG-GFCCVEGCSA-N 445.285 5.111 30 20 IKED N#CCCCn1cc(C(=O)Nc2cnn(-c3ccccc3Br)c2)c2ccccc21 469697660 LBFKJGZVMJDVHQ-UHFFFAOYSA-N 448.324 5.146 30 20 IKED Cc1ccc(I)cc1NC(=O)c1cn(CCCC#N)c2ccccc12 469805306 ZFDCBAULLRLRPM-UHFFFAOYSA-N 443.288 5.110 30 20 IKED COc1cc(CN[C@@H](c2ccc(C)cc2)c2ccccn2)ccc1OCc1cccc(C#N)c1 471069021 LWRYZGYKGIIWHW-LJAQVGFWSA-N 449.554 5.729 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 474271178 NQXJPEJTLYDVCY-BLLLJJGKSA-N 430.348 5.154 30 20 IKED C[C@@H](CNC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2)C(F)(F)F 479369590 BCAYDGDNLYZIMH-FRYLAUTCSA-N 439.362 5.423 30 20 IKED CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1 481182959 QTPVWKYERMSSEA-UHFFFAOYSA-N 435.936 5.964 30 20 IKED CCN(CCC#N)C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482343935 ITPNDQRPOOKYAR-GFCCVEGCSA-N 435.290 5.273 30 20 IKED N#CCCN(C(=O)c1ccc(Oc2cccc(Cl)c2)cc1)c1ccc2c(c1)OCCO2 486226166 XCDBLNIUOUAVAY-UHFFFAOYSA-N 434.879 5.464 30 20 IKED N#CCCC[C@H](NC(=O)c1ccc(-n2ncc3ccccc32)cc1Cl)c1ccccc1 487623656 BZRBLRUADGEMRV-QHCPKHFHSA-N 428.923 5.844 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2nc3ccccc3s2)nnc1-c1ccccc1C 488875458 DXPVXGBUZOXOKW-HNNXBMFYSA-N 435.578 5.169 30 20 IKED C=CCn1c(SCc2nn(-c3ccccc3)c3c2CCC3)nnc1-c1ccccc1F 499351388 SGNTXTLLWUBFAA-UHFFFAOYSA-N 431.540 5.237 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H](c3ccccc3)c3ccncc3)c2)c1 503038426 VMXPSPURGUZLRA-RUZDIDTESA-N 447.498 5.117 30 20 IKED C[C@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)c1ccc(C#N)cc1 505305096 RBUNOWBYZWFDER-ZDUSSCGKSA-N 442.397 5.305 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@H](COc3ccccc3)C2)cc1F 506645331 YKPOUMLQXGXEEC-GOSISDBHSA-N 431.467 5.422 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1 508144473 QPVQMGFNGAYZAW-UHFFFAOYSA-N 449.938 5.381 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1Oc1cnn(C)c1 509509753 HXMFSDGTOOYIQW-UHFFFAOYSA-N 438.487 5.224 30 20 IKED COc1cccc([C@@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 509920271 RACZKVRSORKPHU-SANMLTNESA-N 441.531 5.709 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@@H]3C3CCCCC3)s2)cc1 510246548 ZQPOGMWIAYRLRP-GOSISDBHSA-N 427.599 5.279 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(Oc3ccc(C)c(C)c3)CC2)cc1 511035382 SXWPLVHOPTWEBE-UHFFFAOYSA-N 447.579 5.193 30 20 IKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H]1CCCN(C2CCC2)C1 511246694 DJFJBSNHVXZRDH-IRLDBZIGSA-N 446.595 5.106 30 20 IKED C[C@H](NCc1ccc(NC(=O)CCCOc2ccccc2)cc1)c1ccc(C#N)cc1F 512652557 ALJJNHAMEXPENA-IBGZPJMESA-N 431.511 5.346 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)s2)c(C)c1 512946244 AAMXXWXGERWGFT-GOSISDBHSA-N 430.558 5.744 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 513860756 BKECRUJGQUPELP-UHFFFAOYSA-N 442.494 5.591 30 20 IKED Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 515649347 FVGRNHWBOYAJRT-UHFFFAOYSA-N 425.463 5.580 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(N4CCCC4=O)cc3)cc2Cl)cc1 516003320 FTAAYMFYTBIYJU-UHFFFAOYSA-N 431.879 5.383 30 20 IKED Cc1ccccc1-c1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)c2cnn(C(C)C)c2n1 516710645 LSYRZLDLDLMBJC-LJQANCHMSA-N 435.487 5.619 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 518660017 DEJDRVRHXQNORZ-FUHWJXTLSA-N 441.984 5.083 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 518660305 PLAGYSWWLLWGJF-SFHVURJKSA-N 429.545 5.467 30 20 IKED Cc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cs2)c(C)c1 519899402 AJDAPBRVFOGHDY-IBGZPJMESA-N 440.553 5.912 30 20 IKED C[C@@H](Oc1ccc2ccccc2c1)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccccc1 521948208 BSCKUZRATOTOSZ-WOJBJXKFSA-N 425.536 5.358 30 20 IKED CC(C)c1ccc(OC2CCN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CC2)cc1 521953509 HBFGDVIDSQKMAC-UHFFFAOYSA-N 441.531 5.553 30 20 IKED Cn1cnnc1Sc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 522868261 BPCHVSGRXOZKRZ-UHFFFAOYSA-N 443.557 5.241 30 20 IKED COc1cc(CSCc2nc(-c3ccccc3)no2)ccc1OCc1cccc(C#N)c1 523936899 QUJIYRYYCZFEKO-UHFFFAOYSA-N 443.528 5.629 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 523964188 VQAJZDRWWRTODB-XJFCNFDWSA-N 438.593 5.182 30 20 IKED CC(C)N(Cc1ccccn1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524166308 QISIWACSXUIYHC-UHFFFAOYSA-N 434.927 5.628 30 20 IKED Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 524565141 IZCKEFYGRFIKRX-GHTZIAJQSA-N 439.581 5.451 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCc2c(ccc(Cl)c2Cl)C1 532947289 VNWJIKKXCOHKER-CQSZACIVSA-N 434.392 5.384 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(OC)c(Br)s3)n2)cc1 535373953 GQNODOFOOBWPPS-GFCCVEGCSA-N 449.351 5.141 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 537928625 YWXOYVGHKSCLDG-BVAGGSTKSA-N 441.531 5.345 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 541969797 LIXKNIBSJMDIHD-DNVCBOLYSA-N 449.498 5.705 30 20 IKED CCOC(=O)c1c(NC(=O)N2CCC(CC#N)CC2)sc(C)c1-c1ccc(F)cc1 542901798 JEAHBBOFYXFOBK-UHFFFAOYSA-N 429.517 5.197 30 20 IKED CC(=O)N1CCc2c(sc3nc(-c4ccc(C)s4)c(C#N)c(-c4ccc(C)cc4)c23)C1 543445009 QZHKJXFXDJYCGZ-UHFFFAOYSA-N 443.597 6.085 30 20 IKED Cc1nc(NC(=O)c2sc3ccc(Br)cc3c2C)sc1SCC#N 550369975 LTTUXZXQMZPESC-UHFFFAOYSA-N 438.397 5.605 30 20 IKED Cc1c(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)sc2ccc(C#N)cc12 555652352 WHUFHKMFLZFXGY-SFHVURJKSA-N 441.350 5.058 30 20 IKED Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 569009576 AEOIBHLXODZYRZ-HNNXBMFYSA-N 442.294 5.279 30 20 IKED COc1ccc(-c2nc3c(s2)[C@@H](NCc2ccc(C#N)cc2C(F)(F)F)CCC3)cc1 572417907 POYISWRDFFWEPX-IBGZPJMESA-N 443.494 5.876 30 20 IKED N#Cc1cc(Oc2ccc(NCc3csc(-c4ccc5c(c4)OCO5)n3)cc2)ccn1 578369280 DPBPIPGNZXULAX-UHFFFAOYSA-N 428.473 5.210 30 20 IKED Cc1nc(SCC(=O)N[C@H](C)c2ccc(Oc3cccnc3)cc2)c(C#N)c(C)c1C 582147554 VGDHAHNVTZNCQM-GOSISDBHSA-N 432.549 5.035 30 20 IKED CCCc1c(NC(=O)N(C)[C@@H](CC)c2cccc(OC)c2)cnn1-c1cccc(C#N)c1 582870092 UBMWOMRRLDLOGC-QHCPKHFHSA-N 431.540 5.320 30 20 IKED N#Cc1c[nH]c2c(F)c(F)c(F)cc2c1=NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 587165205 VZILBNZZEDCBDW-RKDXNWHRSA-N 441.297 5.267 30 20 IKED N#Cc1c(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)n[nH]c1C1CC1 588767995 GRVHXJCZSVTDFE-UHFFFAOYSA-N 431.446 5.157 30 20 IKED CCCCN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H](C)c1ccccc1 603618717 GNZAMTCEFZTBAV-IBGZPJMESA-N 446.551 5.413 30 20 IKED Cc1nc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)sc1SCC#N 603908730 GUJKULXPQRTDLE-UHFFFAOYSA-N 432.530 5.642 30 20 IKED C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 606182356 URUBAGZRZIIUQL-SWHYSGLUSA-N 435.330 5.473 30 20 IKED CCn1cc(Br)cc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 608853046 WGMFEXRZWMWMFP-UHFFFAOYSA-N 438.325 5.168 30 20 IKED CC1CCN(c2ccc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cn2)CC1 608903415 GLRRTYVDAQOOEH-UHFFFAOYSA-N 440.547 5.215 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)COc3ccccc3OCC(F)(F)F)cc2)cc1 609012228 PBSVXPWJIPBUNJ-UHFFFAOYSA-N 442.393 5.309 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(NC(=O)c2ccccn2)c1 609436470 MCDHEJNNEJFGIL-KRWDZBQOSA-N 445.548 5.050 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(Oc2ccc(F)cc2F)CC1 609438648 NBUNRBIFSYGSGE-OAHLLOKOSA-N 431.508 5.434 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)C3(c4cccs4)CCCCC3)s2)cc1 609965929 UCZQIBUHJDTIEU-UHFFFAOYSA-N 440.619 5.604 30 20 IKED C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 609968679 YMWNOIZUYTZXHL-CQSZACIVSA-N 428.376 5.347 30 20 IKED CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1 609991763 QTBNANJTGWYEPL-WJOKGBTCSA-N 431.561 5.601 30 20 IKED C[C@H](c1ccccc1)n1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)n1 610746262 XGKLAUZRVJPJMZ-LJQANCHMSA-N 438.556 5.909 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C(=O)NCc2ccccc2)c2ccccc2)n1 611198677 CLEZXEFGHUHWLT-HXUWFJFHSA-N 441.478 5.430 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)n2)cc1 613318734 AHXASJYHGVAJBF-AWEZNQCLSA-N 432.471 5.579 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccoc2)[nH]n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613344282 CZCKUCIHKKVICN-CYBMUJFWSA-N 429.288 5.590 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1cc(Br)ccc1Br 642490339 XZKILYNJVZOIOP-UHFFFAOYSA-N 430.165 5.493 30 20 IKED C=CCN(C(=O)COc1ccc(C(=O)N(CC=C)c2ccccc2)cc1)c1ccccc1 643140070 SUSLHZLQDLOEEX-UHFFFAOYSA-N 426.516 5.117 30 20 IKED C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 669803208 ZYCXCKVTXVHAKB-HFZDXXHNSA-N 441.579 5.140 30 20 IKED CN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F 681501455 ATNWARSYKQAAML-HNNXBMFYSA-N 426.307 5.429 30 20 IKED FC(F)(F)c1ccc(-c2n[nH]cc2CN2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1 683831829 GEQGNCBQMZVFIE-BETUJISGSA-N 431.302 5.268 30 20 IKED O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 684804629 PQRDUQHLWVXZOK-FMKGYKFTSA-N 448.329 5.334 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 685066138 AMZOXRZHHFDVQU-OAQYLSRUSA-N 432.549 5.558 30 20 IKED O=C1/C(=C\c2cccnc2Cl)CN(Cc2ccccc2)C/C1=C/c1cccnc1Cl 726363175 GNEIJYPCGVWMQX-FDYZEBBJSA-N 436.342 5.335 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C=C/c1cccc(OC2CCCC2)c1 727953328 FNPMFTSDDRZSCO-QDEBQFNMSA-N 430.548 5.494 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)NCCSc1ccccc1 727978982 RURUZBIXALFHGV-UHFFFAOYSA-N 433.602 5.524 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728299648 UKMUTAKPOMJOON-SFHVURJKSA-N 445.538 5.840 30 20 IKED CCCC1C/C(=C\c2cccc(OCC#N)c2)C(=O)/C(=C/c2cccc(OCC#N)c2)C1 730148169 YWYQTQYSNTZBBA-WPHIWBHXSA-N 426.516 5.738 30 20 IKED N#C[C@@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1ccc2ccccc2n1 730685536 JTVWJFXKKRCGLZ-OAHLLOKOSA-N 425.435 5.672 30 20 IKED C=CCOc1ccccc1CNC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl 732018375 SSEPEBZGZCTEHP-UHFFFAOYSA-N 430.335 5.041 30 20 IKED C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1cccc(OCc2ccccc2C#N)c1 732022436 XRWYZQOALNVULH-GOHWNWGWSA-N 426.516 5.128 30 20 IKED Cc1cc(F)ccc1-c1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)o1 734295834 BSWLXTGDXGDTRW-UHFFFAOYSA-N 426.904 5.814 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2cc(-c3ccccc3Br)no2)c1 736681341 SULWBWPIVDDJDZ-UHFFFAOYSA-N 440.297 5.164 30 20 IKED N#C[C@H](C(=O)CCN1C(=O)CCc2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1 739157890 YUXJOVAJDJZNEV-GOSISDBHSA-N 435.936 5.009 30 20 IKED CC(C)(C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccc([N+](=O)[O-])cc1 740534983 KKHGRUSVHMCBFZ-KRWDZBQOSA-N 425.897 5.526 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl 741636761 UEHSDJCMYPRBPJ-UHFFFAOYSA-N 427.806 5.977 30 20 IKED C#CCOc1ccc(F)cc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 741641196 GHTGXTSXCXGDIZ-UHFFFAOYSA-N 433.266 5.371 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C)c(NC(=O)OC(C)(C)C)c2)cc1 744033918 WYUMFGIGMMNFTM-IIBYNOLFSA-N 449.551 5.817 30 20 IKED C#CCN(Cn1nc(CSc2nc3ccccc3s2)n(C)c1=S)C1CCCCC1 744151486 GFSGUQWLCGWTDO-UHFFFAOYSA-N 443.667 5.078 30 20 IKED CCCOc1ccc(C=NO[C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1OC 744443528 LHCVRWXHOPERJE-AWEZNQCLSA-N 449.429 5.665 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl 745268184 SLJDKJWFLCLZDC-SFHVURJKSA-N 446.403 6.064 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 745922614 LSJBFLXZDNAPDQ-GFCCVEGCSA-N 437.352 5.564 30 20 IKED COc1cc([C@@H]2NC(=O)N(CC3CC3)C(c3ccc(F)cc3)=C2C(C)=O)ccc1SC 746511136 BKXRIZFBJMMJEG-QFIPXVFZSA-N 440.540 5.033 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CC1(NC(=O)OC(C)(C)C)CCC1 746849090 UWOBSKLUUVGTCW-UHFFFAOYSA-N 449.551 5.222 30 20 IKED COc1cc(Br)c(/C=C\C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)cc1O 747123000 XKCZKMJXVJJWEQ-SREVYHEPSA-N 443.249 5.018 30 20 IKED Cc1nn(Cc2ccccc2)c(C)c1C=NO[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 748100227 HKMMPJLLGVWFMN-QGZVFWFLSA-N 435.915 5.363 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(CCCO)[C@@H]2CCCc3ccccc32)cc1 754437390 QXZOPZIQROSGQH-RRPNLBNLSA-N 439.559 5.636 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc(Br)cc(C(F)(F)F)c1 756515281 LZMIRSXLAQGFEY-LBPRGKRZSA-N 445.622 5.082 30 20 IKED C=CCc1cc(CNCc2cccc3c2N(C(=O)OC(C)(C)C)CC3)cc(OC)c1OC 757684663 RRACEQDTFWUMCU-UHFFFAOYSA-N 438.568 5.020 30 20 IKED CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 758411478 ZJSUMCHPKJVBRE-XXBNENTESA-N 433.552 5.318 30 20 IKED CC(=O)Nc1ccc(C(C)=NO[C@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)cc1 760429706 OYSCDILLUUNOPR-GFCCVEGCSA-N 433.295 5.504 30 20 IKED N#C[C@@H](C(=O)CCc1nnc(C2CCCC2)o1)c1nc(-c2ccc(Cl)cc2)cs1 761050657 VUFLROXNYXURRY-INIZCTEOSA-N 426.929 5.313 30 20 IKED C[C@H](OC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)C(=O)Nc1ccccc1C#N 761487638 KVXPGOYEEYPIIT-HNNXBMFYSA-N 445.862 5.060 30 20 IKED C#CCOc1ccccc1-c1noc(-c2cc(-c3ccco3)nc3c2cnn3C(C)C)n1 761996158 TUWDRBDBUWNWQF-UHFFFAOYSA-N 425.448 5.001 30 20 IKED O=C(C[C@@H](c1ccccc1)C(F)(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F 764753206 IXHSAUWZMFWZRE-VIFPVBQESA-N 432.229 5.437 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(N4CCCC4)nc3Cl)n2)cc1 764755610 HIJJVIIIOYVXBU-AWEZNQCLSA-N 428.970 5.319 30 20 IKED Cc1c(-c2cc(CNc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)on2)cnn1C 767611553 VHQGZZXPMWCLRC-UHFFFAOYSA-N 433.899 5.100 30 20 IKED CCCC[C@@H](ON=C(C)C)C(=O)O[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 767751715 QMHWPNOEXMMTBA-MLGOLLRUSA-N 428.316 5.619 30 20 IKED COc1ccc(C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1NC(C)=O 771858600 JHWIQOXHNFPONW-HYXAFXHYSA-N 431.332 5.587 30 20 IKED N#C[C@H](C(=O)/C=C\c1ccc(Cl)nc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 772639501 HBVNBVYFBJWCKN-NGNCNTCOSA-N 434.735 6.055 30 20 IKED Cc1cc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)ccc1NC(=O)OC(C)(C)C 772689023 UZNKNOQFUHPKTQ-QGZVFWFLSA-N 434.323 5.644 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)c1 777984216 KZTAYKDVYBGYHC-MRXNPFEDSA-N 427.476 5.008 30 20 IKED Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)Nc2ccccc2O[C@@H](C)C#N)c1 780673297 QJXWOWILNRHEMB-GBXCKJPGSA-N 429.520 5.054 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)CC1CCC(C(F)(F)F)CC1 783288468 SQBRZJTUXODAAM-FHERZECASA-N 442.503 5.179 30 20 IKED C[C@@H](NC(=O)[C@@H](C#N)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccc(Cl)cc1Cl 787052457 ZAHLKNVYQZIFGJ-WBMJQRKESA-N 447.366 5.022 30 20 IKED N#Cc1ccccc1-c1ccc(COC(=O)c2cnn(-c3ccncc3)c2C(F)F)cc1 787221738 JXPQFSXSLMUBGW-UHFFFAOYSA-N 430.414 5.101 30 20 IKED Fc1ccccc1Nc1nn(CN(CCC(F)(F)F)CC(F)(F)F)c(=S)s1 790408226 IEPLJGBRZVUAGJ-UHFFFAOYSA-N 434.406 5.331 30 20 IKED COc1ccc(-c2cc(NCc3nnc(-c4ccc(C#N)cc4)o3)ccc2OC(F)F)cc1 797853990 PXABTMJYYCBJJP-UHFFFAOYSA-N 448.429 5.497 30 20 IKED C=CCOc1c(Br)cc(CNc2cccc(NC(=O)OC)c2C)cc1OC 797881886 PSRKYSNZJXSAIN-UHFFFAOYSA-N 435.318 5.121 30 20 IKED N#C[C@H](COC(=O)c1ncccc1Oc1ccccc1)Cc1cccc(Br)c1 799628984 NRFHEYLUDVJOQQ-QGZVFWFLSA-N 437.293 5.176 30 20 IKED CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 801612803 QUDQHNXQKUIOOH-BKMJKUGQSA-N 448.567 5.111 30 20 IKED CC(C)C(=O)c1ccc([C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 802043762 PLGBWOGBFYZDQC-MGPUTAFESA-N 436.964 6.282 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1cccc(Cl)c1Cl)[n+]1cccc(O)c1Cl 802708080 DMRJGVNAIFRNON-UHFFFAOYSA-O 430.764 5.017 30 20 IKED C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl)c1ccc(F)c(Br)c1 813059921 LPNUXIDPVBJDPU-WCQYABFASA-N 437.696 5.083 30 20 IKED N#Cc1cc(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)c(Cl)c([N+](=O)[O-])c1 813079011 YCDVPYJHQIMIFS-UHFFFAOYSA-N 436.733 5.046 30 20 IKED CCc1ccc([C@@H](C#N)N(C)C(=O)COc2ccc(C3SCCCS3)cc2)cc1 813377021 GQRRDASYODYHBK-OAQYLSRUSA-N 426.607 5.220 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1 814635597 GPBSBOBLDLRIFJ-QFWMQHCXSA-N 431.561 5.535 30 20 IKED N#C[C@@H](C(=O)Cc1c[nH]c2cccc(Cl)c12)c1nc2cc(C(F)(F)F)ccc2s1 815913320 OULYKYKFVQXPDU-LBPRGKRZSA-N 433.842 5.869 30 20 IKED CSc1nc(C2CC2)cc(-c2nc(-c3cccc(CN4CCCCC4)c3)no2)c1C#N 904434109 NPSGVDJNGXRIJW-UHFFFAOYSA-N 431.565 5.255 30 20 IKED CC(C)[C@H](NC(=O)c1cccs1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915101886 NVMALCFOBGIOTA-QAPCUYQASA-N 443.981 5.156 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)cc1 915293433 MKNXUAQNNSCNNA-QHCPKHFHSA-N 440.478 5.493 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)sc2cccc(F)c12 916847748 UXPMBRMTBLAVFF-GFCCVEGCSA-N 437.521 5.428 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(OC2CCCC2)cc1 916888478 VZDOILLPRABMFM-LJQANCHMSA-N 430.476 5.284 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)[C@H](C)Sc1ccc(Cl)cc1 916901600 LYCXIJCOTOXOIE-WFASDCNBSA-N 437.348 5.139 30 20 IKED Cc1ccc(SCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(C)c1 916906019 AIKIRZJLAROPRP-FQEVSTJZSA-N 430.529 5.535 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1Cl 916928564 NVOHKMPAWBGBDD-GOSISDBHSA-N 439.298 5.457 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(OCc3cscn3)c2)cc1 916954484 IHRJGJUKIWVRRV-OPAMFIHVSA-N 433.533 5.197 30 20 IKED N#C[C@@H](C(=O)CCCc1nnc(-c2ccccc2)o1)c1nc(-c2ccc(Cl)cc2)cs1 916976792 TYPBYYYRAONFAR-SFHVURJKSA-N 448.935 5.713 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1 918034296 MVVIIKZFOSCODP-DSITVLBTSA-N 429.495 5.523 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)Cn1c(C)c(Br)c2ccccc21 920104765 YXRRAWVYAZLVSZ-QGZVFWFLSA-N 448.320 5.094 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c(C)c(O)nc3ccccc23)cc1 1542684239 XBGNCXPWLWUQCP-UHFFFAOYSA-N 425.444 5.174 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCCCC3(F)F)cc2)CCC1 1786464514 CHWMPUOEKXXMMD-QGZVFWFLSA-N 426.454 5.157 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4ccccc34)cc2)CCC1 1789281101 SMKHGDXWDADGMT-FQEVSTJZSA-N 428.536 5.079 30 20 IKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4sc5ccccc5c4Cl)CC3)C2)C1 1804780677 RMOISMMXHUNFEL-UHFFFAOYSA-N 443.012 5.366 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C)c(C)c2)[C@@H]1c1cccnc1 1811869463 ZUHLROIKVJRSRY-ZEQRLZLVSA-N 433.596 5.010 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)c(F)c2F)CC1 1828830437 VLWQIIANYVFWRM-IRLDBZIGSA-N 444.566 5.275 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2C2CC2)CC1 1831447037 CFXDRVIMKPDSRW-QFIPXVFZSA-N 430.539 5.009 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(Cc3ccc(F)cc3)c2)CC1 1831859807 YGYUSFBDZJIZNV-AREMUKBSSA-N 448.582 5.226 30 20 IKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1832822513 HGKKVPUKRMUYTJ-NOZRDPDXSA-N 443.031 5.113 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(C)=O)nnc1-c1ccc(Cl)cc1 16862803 NWSHATIJXFGJQV-HNNXBMFYSA-N 440.956 5.106 30 20 IKED C=CCN(C(=O)c1cccc(NC(=O)c2cccs2)c1)c1nc(-c2ccccc2)cs1 18120835 UPYJILQGRDFZGY-UHFFFAOYSA-N 445.569 5.957 30 20 IKED C=CCn1c(S[C@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)nc2ccccc21 18263070 HHELBUAPLADGRG-CYBMUJFWSA-N 434.546 5.634 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 22715371 GPOACZGFUUHIAV-CABCVRRESA-N 444.963 5.282 30 20 IKED N#Cc1c(NC(=O)CCSc2nnc(-c3ccc(Cl)cc3)o2)sc2c1CCCC2 45699579 OJXAMZNNXULLBE-UHFFFAOYSA-N 444.969 5.323 30 20 IKED Cc1nn(Cc2ccccc2)c(C)c1CNCc1cccc(OCc2cccc(C#N)c2)c1 60961570 RNVJHBBOCBYBSO-UHFFFAOYSA-N 436.559 5.289 30 20 IKED C[C@H](Sc1ncc(-c2ccccc2)n1CC(F)(F)F)C(=O)Nc1ccccc1C#N 109622393 TXGOBVCFVZIOLV-AWEZNQCLSA-N 430.455 5.103 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1ccccc1F 218659811 UWCZFSBVUCRLTQ-GOSISDBHSA-N 449.555 5.006 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C 303646024 SEURGAXKLJGXTG-UHFFFAOYSA-N 431.458 5.473 30 20 IKED Cc1ccc(C[C@H]2CCCN2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 303668964 WSEFPBYCJOGSDP-HXUWFJFHSA-N 449.605 5.250 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 303676961 JCSYHVVWYZPAGX-GOXGLGGOSA-N 446.572 5.049 30 20 IKED CC(C)Cn1ncc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1-c1ccccc1 429119512 ZMDHBFZTJYHIFQ-QGZVFWFLSA-N 433.462 5.441 30 20 IKED COc1ccc(C(=O)Nc2ccc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)s2)cc1 430651161 VTZQCVZUGBILBI-OAHLLOKOSA-N 439.562 5.253 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](c1ccccc1)C(C)(C)CO 437371894 JEIZKWHEJRKSLA-XMMPIXPASA-N 443.547 5.583 30 20 IKED CC(C)c1noc(-c2ccccc2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)n1 437477772 UPGZFOJYJFQDDZ-UHFFFAOYSA-N 442.450 5.915 30 20 IKED CCCN(CCC)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 437765156 ZNFGHZBIHZLHBG-BJKOFHAPSA-N 432.568 5.252 30 20 IKED C[C@H](NC(=O)Nc1ncc(Cc2cccc(Br)c2)s1)c1ccc(C#N)cc1 438561545 LBQUSVJGQFKCBI-ZDUSSCGKSA-N 441.354 5.251 30 20 IKED C[C@H](Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1)c1ccc(C#N)cc1 439605785 BONAZQNQHURPEQ-INIZCTEOSA-N 434.337 5.424 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@H](CCC#N)c1ccccc1 439657949 IRLGYDSWQINQAH-LJQANCHMSA-N 425.941 5.459 30 20 IKED C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 439740812 QHQGZIDWVSNNLO-LJQANCHMSA-N 442.588 5.060 30 20 IKED N#CCc1ccc(NC(=O)CNc2ccc(Oc3nncc4ccccc34)c(Cl)c2)cc1 443479928 ZUKHKZQZRPQBPJ-UHFFFAOYSA-N 443.894 5.192 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(Oc3ccc(CO)cc3)cc2)c2ccccc21 444343096 YFFLTJPQOZXEBV-UHFFFAOYSA-N 425.488 5.482 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(Oc2ccccc2)c(F)c1 445664897 NDBLGLYZRSMWFW-KRWDZBQOSA-N 445.494 5.235 30 20 IKED C=C(C)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1 460564802 GGNZCLILRJEEGN-UTKZUKDTSA-N 441.501 5.446 30 20 IKED Cc1cc(C)c2ncc(C#N)c(N3CCC([C@H]4C(=O)Nc5cc(Cl)ccc54)CC3)c2c1 462803608 ODEHCUURNJXAPO-JOCHJYFZSA-N 430.939 5.329 30 20 IKED N#Cc1cc(NC(=O)c2cc3c(s2)CCOC3)ccc1Oc1ccc(C(F)(F)F)cc1 464293795 IXROSHKADNKOIL-UHFFFAOYSA-N 444.434 5.756 30 20 IKED N#C[C@@H](C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1cc(C(F)(F)F)ccn1 464466524 WYFOZYXTJUZRAC-QGZVFWFLSA-N 443.812 5.496 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)cc1C 464699771 BMJZNFDNWOZWJX-SFHVURJKSA-N 446.555 5.002 30 20 IKED CC(C)(C)[C@@H](C#N)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 464710879 LQMFBWAXJZYWID-VMTBQTDASA-N 434.521 5.190 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)c1cc(-c2cccc(C#N)c2)no1 468812488 CFOPUKNEGGYSEL-MRXNPFEDSA-N 428.517 5.478 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@@H]3CCc4ccc(OC(F)(F)F)cc43)ccc21 469086907 SPQGCHMGTLQZIA-HXUWFJFHSA-N 429.442 5.268 30 20 IKED Cc1ccc2nc(C3CC3)cc(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)c2c1 469970595 ADXUMUPAUYTPCZ-UHFFFAOYSA-N 438.531 5.256 30 20 IKED CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 470656915 KBPALEFEJBUTHZ-UHFFFAOYSA-N 431.439 5.292 30 20 IKED C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1cn(C)c2ccccc12 475406874 CFQVXQOSUHYCMS-CQSZACIVSA-N 431.483 5.945 30 20 IKED Cc1sc([C@@H](C)NS(=O)(=O)CC2(C#N)CCCCC2)nc1-c1ccc(Cl)cc1 476397500 MIZLHOBQQQZRAN-CQSZACIVSA-N 438.018 5.226 30 20 IKED C=CCN(C(=O)[C@H](C)c1c(C)nn(C)c1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 476623751 HMRPMRQRWHLXMA-GFCCVEGCSA-N 449.407 5.790 30 20 IKED N#Cc1c(NC(=O)CNC2(c3cccc(C(F)(F)F)c3)CC2)sc2c1CCCCC2 477409838 AOWNWHJWJMBKDJ-UHFFFAOYSA-N 433.499 5.125 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 477528028 HVRKYANUICFGIQ-QWHCGFSZSA-N 439.507 5.339 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)N(CCC(F)(F)F)Cc1ccccc1 478376778 IDSYREDQHMYCDZ-UHFFFAOYSA-N 428.376 5.221 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(C3CCCCC3)nn2C)cc1C 478670508 BQIKBTPZRQYYQJ-UHFFFAOYSA-N 430.556 5.114 30 20 IKED C=C(C)[C@@H](NC(=O)Cc1csc(COc2ccc(C)cc2)n1)c1ccc(F)c(F)c1 478909465 KNPBNFKZJQOGCS-HSZRJFAPSA-N 428.504 5.285 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)NC3(c4ccc(Cl)cc4)CC3)s2)cc1 485249029 WACFALROIRTENM-UHFFFAOYSA-N 441.969 5.166 30 20 IKED Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@H](CCCC#N)c1ccccc1 487588563 BBVWTLJFEJHTDU-OAQYLSRUSA-N 437.341 5.108 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC[C@H](CN2CCCCCC2)C1 487905815 GOIYIFKRJXUAKQ-OAQYLSRUSA-N 433.621 5.438 30 20 IKED C=CCC[C@@H](C(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)c(C)s1)c1ccccc1 488614723 ZEFFBUWLIZEZSG-LJQANCHMSA-N 439.606 5.505 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cc(Cl)ccc3F)o2)cc1 489781395 UAXGHDJWNHREIU-GFCCVEGCSA-N 433.892 5.213 30 20 IKED N#Cc1cc(NC(=O)[C@H](OC2CCOCC2)c2ccccc2)ccc1Oc1ccccc1 490591280 HBALUQIGQLZQLA-RUZDIDTESA-N 428.488 5.226 30 20 IKED N#C[C@@H](NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1c(Cl)cccc1Cl 499809285 GQTBSWNTMSBCID-OAHLLOKOSA-N 439.224 5.193 30 20 IKED CCCc1ccc([C@H](NC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C(C)C)cc1 501504862 OBPSLGCTJMUXLU-JOCHJYFZSA-N 446.576 5.086 30 20 IKED COc1ccccc1C1(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 503062941 TVCYYQKLCATXIL-UHFFFAOYSA-N 441.531 5.194 30 20 IKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)cc1 505824394 FBXWCYHACNLVFW-KRWDZBQOSA-N 443.885 5.150 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NCCCC(F)(F)F 508349754 POHQPGNYHFXLCQ-UHFFFAOYSA-N 425.476 5.097 30 20 IKED COc1cc(CN(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc(OC)c1 510614916 KAAJPZQDSVAIJM-UHFFFAOYSA-N 445.519 5.013 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C)ccc1OCc1ccccc1Cl 513667042 QPRZNFGSJMTFEL-SFHVURJKSA-N 445.906 5.304 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccnc(OCc4ccccc4)c3)n2)cc1 516710692 OFZJOGSOGBXYPI-NRFANRHFSA-N 425.513 5.583 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c1 516714276 ZCLKBXKHQBVCKY-FQEVSTJZSA-N 442.425 5.372 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 517733613 BEJMOCJSZRMLOK-JYFHCDHNSA-N 442.584 5.748 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 518757817 KYWPQINNQTZPIK-AOMKIAJQSA-N 439.556 5.206 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccccc4F)n3)n2)cc1 518886530 WEUVITBRWJFPMP-INIZCTEOSA-N 435.505 5.571 30 20 IKED Cc1c(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)sc2nc(C(F)(F)F)ccc12 521352676 GZMKDPQRFZNKOS-CYBMUJFWSA-N 444.265 5.925 30 20 IKED CCCCOc1ncccc1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 523908171 WVYIQOOAWXLNJW-UHFFFAOYSA-N 446.526 5.183 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)nc2ccccc21 523997592 UGQLAQNDAKYDRE-SFHVURJKSA-N 426.863 5.381 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)N[C@H](C#N)c3ccc(OC(F)(F)F)cc3)c(C)c2c1 531353229 SPTQSOXHTLMCIT-LJQANCHMSA-N 444.409 5.156 30 20 IKED N#Cc1cccc(NC(=O)N(Cc2ccccn2)Cc2ccc(Br)cc2F)c1 531929427 HIJRERGXJZYULD-UHFFFAOYSA-N 439.288 5.089 30 20 IKED CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C1 532126033 UNJLSIJTHJCHRA-SFHVURJKSA-N 436.577 5.293 30 20 IKED C[C@@H]1SCCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)[C@H]1c1ccccc1 532968006 OAKQSYIBNFRPMU-IEGUWTFLSA-N 425.623 5.198 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cnc(-c3cccnc3)s2)cc1 534174781 AKCRXECFWQUVOI-UHFFFAOYSA-N 428.492 5.058 30 20 IKED CC(C)Cn1cc(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c(C(F)F)n1 534888993 RROQHJULCKVNCQ-UHFFFAOYSA-N 430.484 5.040 30 20 IKED COc1cccc(/C=C(/CC(=O)N[C@](C)(C#N)CC(C)C)c2nc3ccccc3s2)c1 535326780 SMSPLOIHYUYQSX-RZOVLYRQSA-N 433.577 5.680 30 20 IKED CC(C)Sc1ccc([C@H](C)NCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 538203439 MDLYLKIWYXVSIW-MSOLQXFVSA-N 427.639 5.871 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC1(c2c(Cl)cccc2Cl)CC1 539330421 PVZULSMNQNTRCF-AWEZNQCLSA-N 434.392 5.605 30 20 IKED Cn1cc(-c2ccc(F)c(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)c2)cn1 541068336 AFMWZRXBZBENMJ-UHFFFAOYSA-N 430.414 5.282 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1 541357564 OFRWMKQFKOKHQJ-UHFFFAOYSA-N 432.442 5.053 30 20 IKED CN(C(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 542680538 ALOHPTWARRKRRA-LOSJGSFVSA-N 429.495 5.005 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)Nc1cccc(Oc2ccccc2)c1 548952413 NEDCRIITGXDYJH-UHFFFAOYSA-N 443.890 5.266 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@]2(CCCOC2)C1 549685239 HJXOMIAMTLUIKP-WZONZLPQSA-N 430.980 5.045 30 20 IKED Cc1sc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)nc1-c1ccc2c(c1)CCC2 551178753 RMLLAYHHOJBRLI-UHFFFAOYSA-N 428.439 5.145 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3cc(C#N)ccc3NC3CC3)c3c(C)noc3n2)c(C)o1 552239073 FLTDJYRXFKASIO-UHFFFAOYSA-N 427.464 5.106 30 20 IKED CCO[C@@H](c1noc(C2(c3ccc(C#N)cc3)CC2)n1)c1ccc(F)cc1C(F)(F)F 571687092 NIUWHXDOYIHLTP-GOSISDBHSA-N 431.389 5.305 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC(c4noc5cc(F)ccc45)CC3)cc2)nc1 572450611 MOHZWVYSMRHBLR-UHFFFAOYSA-N 442.450 5.046 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3occc3COc3cccc(C#N)c3)n2)cc1 588349015 OJVRAXYYYXDKBD-NRFANRHFSA-N 439.496 5.652 30 20 IKED CSCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 603838341 HAFNCZPUIBYIHP-MRXNPFEDSA-N 433.385 6.470 30 20 IKED C=CCN(C(=O)C[C@H](C)c1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 604110728 YLPSYAMNZZAECO-HNNXBMFYSA-N 425.485 5.570 30 20 IKED CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604460576 ARVAATAISOPEFD-UHFFFAOYSA-N 432.499 5.085 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)cc1Cl 608840724 AYWBUFSZMSSASW-QLBJFCOMSA-N 445.950 6.037 30 20 IKED N#CCn1c(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc2ccccc21 609159767 NAXJMYFTCXTIRV-UHFFFAOYSA-N 426.442 5.426 30 20 IKED COc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c(Br)c1 609298756 SPRFEBSRYXCECX-UHFFFAOYSA-N 441.256 5.513 30 20 IKED C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccccc1Oc1ccccc1 609387217 SSRHUPLMMZYMMN-RTBURBONSA-N 431.561 6.170 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H](C)N(C)Cc1ccccc1 609556483 NVYCYXHVWYCDFV-NRFANRHFSA-N 442.563 5.088 30 20 IKED N#C[C@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccccc1Br 609591144 KCWXIJRXNLBFSX-ZDUSSCGKSA-N 440.149 5.965 30 20 IKED COc1cc2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)[nH]c2cc1OC 609820322 QBFJUNNIUZLLRJ-LJQANCHMSA-N 445.906 5.746 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N[C@@H]3CCc4nc(-c5ccccc5)ncc4C3)c2)cc1 609988930 PROFHXHNMJWHGQ-RUZDIDTESA-N 445.526 5.046 30 20 IKED COc1ccc(CCN(Cc2ccsc2)C(=O)N[C@H](C)c2cccc(C#N)c2)cc1OC 610531086 WQUFIQURQGFEMT-GOSISDBHSA-N 449.576 5.152 30 20 IKED C[C@H](C#N)CN(C(=O)Nc1ccc(OCc2ccccc2)c(Br)c1)C1CC1 611095508 KVUQDIVBZDTTOT-OAHLLOKOSA-N 428.330 5.184 30 20 IKED O=C(c1ccccc1OCc1ccc(F)cc1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674460734 JBBKAXCUZQYLEI-HZPDHXFCSA-N 435.339 5.218 30 20 IKED C#Cc1cccc(NC(=S)N(Cc2ccc(Cl)cc2)[C@@H](C)Cc2cccs2)c1 726446056 XFBCEGQDHIZAJG-KRWDZBQOSA-N 425.022 6.213 30 20 IKED C=CCn1c(-c2cccnc2)nn(CNC2(c3ccc(Cl)cc3)CCCCC2)c1=S 726590817 UZAXIZDKRVYHCZ-UHFFFAOYSA-N 440.016 5.722 30 20 IKED COc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(C(F)(F)F)c1 726696868 XPHOYXIDAJCTPW-NRFANRHFSA-N 439.437 5.691 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=NNc1ccc(Br)cn1 727266425 SZQCZGILRRQCPF-UHFFFAOYSA-N 439.144 5.150 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)NCc1ccc(F)cc1 728061876 CXPQWIJBFFFIES-INIZCTEOSA-N 437.902 5.047 30 20 IKED COc1ccccc1-n1c(-c2cccs2)nn(CN(CCC#N)CCC(C)C)c1=S 728901283 ATXKOXMTKGJRNE-UHFFFAOYSA-N 441.626 5.360 30 20 IKED CN(C(=O)c1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1)c1ccccc1 729317400 WCZOVVGVOLSQIL-HHHXNRCGSA-N 445.522 5.871 30 20 IKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1csc2ccccc12 730061975 CQJOMBHFLCXJSC-GOSISDBHSA-N 441.556 6.429 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3nc(C)c(-c4ccccc4)o3)n2)cc1 730396387 OCNXQOOVMGWBJS-HXUWFJFHSA-N 427.529 5.891 30 20 IKED Cc1csc([C@H](C#N)C(=O)[C@@H](Oc2ccc(Br)cc2F)c2ccccc2)n1 730686342 OFKITHZGJNGBPL-BEFAXECRSA-N 445.313 5.350 30 20 IKED CCc1ccccc1O[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1 730690258 QWYWRZKQTGGSSO-DVECYGJZSA-N 445.469 5.990 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@@H]1c1ccc(Oc2cccnc2)c(C)c1 732747132 MFJGAXWDSSBCKJ-HSZRJFAPSA-N 449.963 5.355 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc3ccccc3o2)[n+]2cccc(O)c2Cl)c1 735664963 COGWAXKWEAHHHW-UHFFFAOYSA-O 447.923 5.384 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3sc4cc(Br)ccc4c3Cl)[nH]c12 735787709 DOYQLVKBXMIDDT-GFCCVEGCSA-N 444.741 5.992 30 20 IKED O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)c1c(Cl)nc2ccccn12 737450952 VTDQFALUVJKUAR-QXMHVHEDSA-N 439.906 5.191 30 20 IKED Cc1nc(COc2cccc(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)c2)cs1 739590308 JFADQBGEBORCHA-UHFFFAOYSA-N 445.569 5.561 30 20 IKED CC(=O)Nc1ccc(O)c(C(C)=NNc2c(Cl)cc(Br)cc2Cl)c1 741845181 RXEVAYZBUWKJPQ-UHFFFAOYSA-N 431.117 5.256 30 20 IKED Cc1c(C(=O)/C=C/c2nccn2CC(F)(F)F)cnn1-c1ccc(Cl)cc1Cl 743056570 ZCKATTHFCUSBOV-SNAWJCMRSA-N 429.229 5.142 30 20 IKED CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 743094928 FOXDGNQHDZHSGL-IZZNHLLZSA-N 429.539 6.212 30 20 IKED CCOc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC)c1 743735440 HPGZVRUHCWSZSG-IBGZPJMESA-N 445.972 5.027 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)ccc1OC 745819699 PALVIMWTLVJYBV-TUZUBFTQSA-N 441.959 5.226 30 20 IKED C=CCC[C@H](NC(=O)Nc1cccc(N2CCOC2=O)c1)c1ccc(C(F)(F)F)cc1 749848355 HFJDQMOLMQACLZ-IBGZPJMESA-N 433.430 5.491 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2nc(C)n(-c3ccccc3C(C)C)n2)cc1 750392775 SJAPBHSIRNHATE-QFIPXVFZSA-N 443.551 5.003 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@@H]3c3ccc(Cl)cc3)cc2F)c1 752226653 OIEVHYDZPPMGIW-JOCHJYFZSA-N 435.886 5.909 30 20 IKED COc1cc(CC2CN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)C2)cc(OC)c1 752634757 BQVKKDRGSRIFPJ-AREMUKBSSA-N 441.531 5.066 30 20 IKED COc1ccc(C2(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CCC2)cc1OC 754108420 DPFWTZHUDZTWBT-QHCPKHFHSA-N 426.516 5.420 30 20 IKED C=CCOc1ccc(/C=C\C(=O)O[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cc1OC 758911969 PQDXFDHBCAEVID-ZVBPTUHVSA-N 434.492 5.244 30 20 IKED C[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1cccc(C(=O)c2ccccc2)c1 762040778 WRNSNOFTOVPIMB-UZLBHIALSA-N 443.453 5.642 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)O[C@H]([C@H]2CCOC2)C(F)(F)F)c1 778038235 KIJYDCOZXUSMLX-SCLBCKFNSA-N 425.790 5.128 30 20 IKED Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3ccccc3O[C@H](C)C#N)[C@H]2c2cccs2)cc1 780150610 VVHJRZZBTNMLCH-VUMVONDWSA-N 445.544 5.080 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@@H](C)Sc1ccc(Br)cc1 780670622 MPQCTBPMPCQVDC-UONOGXRCSA-N 434.359 5.042 30 20 IKED CCc1ccc(N(C(C)=O)c2nc(COC(=O)C3(c4ccc(C#N)cc4)CC3)cs2)cc1 781397945 QNGRLGGTRRASFT-UHFFFAOYSA-N 445.544 5.037 30 20 IKED O=C1/C(=C\c2ccc3cnccc3c2)CN(CC2CC2)C/C1=C/c1ccc2cnccc2c1 782330432 ZDWDYJJGGORDLR-JEGUCOMDSA-N 431.539 5.545 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ccc(C#N)c(Cl)c2)cs1 783878683 ZTMMUOMDQHVIAE-UHFFFAOYSA-N 430.320 5.452 30 20 IKED CC(C)(C)OC(=O)NCc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c1 786935705 PUEWMOHLASBEFF-LJQANCHMSA-N 433.533 5.325 30 20 IKED COc1cc(NN=Cc2csc(N(C(C)=O)c3ccc(F)cc3F)n2)ccc1Cl 788471607 FTGMOLPYSQXAHD-UHFFFAOYSA-N 436.871 5.214 30 20 IKED COc1ccccc1-c1ncc(/C=C/C(=O)c2sc(-c3ccc(F)cc3)nc2C)cn1 792882004 BMIDKUQIUIECBL-KPKJPENVSA-N 431.492 5.619 30 20 IKED Cc1ccc([C@@](O)(Cc2nc([C@@H](F)c3ccc(C(F)(F)F)cc3)no2)C(F)(F)F)o1 800999727 CIGILUUBKYZKCO-HOCLYGCPSA-N 438.299 5.041 30 20 IKED Cc1cc(C(=O)COC(=O)c2cc(C#N)ccn2)c(C)n1C(c1ccccc1)c1ccccc1 803850320 GZCZKOYUZDLPKQ-UHFFFAOYSA-N 449.510 5.049 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CCOc2c1ccc(Cl)c2Cl 807174943 SHBKLVAYWGBLGH-SFHVURJKSA-N 437.371 5.382 30 20 IKED COC(=O)c1ccc([C@@H](OC(=O)c2c(F)cc(C(F)(F)F)cc2F)C(F)(F)F)cc1 813079501 MTUYPOURDOUFAS-CQSZACIVSA-N 442.258 5.231 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])cc2)ccn1 813279082 UMGMPTHAEBYGTB-UHFFFAOYSA-N 429.219 5.213 30 20 IKED O=c1c2ccccc2nc(S)n1N=Cc1ccc(-c2ccc(Br)cc2)s1 863967656 RAVZLVKUNONYTO-UHFFFAOYSA-N 442.363 5.058 30 20 IKED N#CCc1ccc(NC(=O)COC(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)cc1 900062638 WRQYGTPHMZLEHO-BENRWUELSA-N 436.920 5.330 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccnc2OC2CCCC2)cc1 915353353 NGFWWPRIOIMFFY-XMMPIXPASA-N 426.520 5.380 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1 916135218 LBZVVSWDCUFEQO-WYMLVPIESA-N 435.907 5.652 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(NC(=O)c3ccco3)cc2C)cc1 916914770 UONMHTOWSAOXNQ-GOSISDBHSA-N 449.532 5.206 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCCCc2nc3ccccc3s2)cc1 916955290 NZJUGZRMVQVCRL-YLJYHZDGSA-N 433.577 5.870 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2sccc2Br)cs1 917560660 USSPGCVWWDIKGP-VMPITWQZSA-N 447.379 5.856 30 20 IKED Cc1cc(Cl)ccc1O[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920804599 WTIFVXZOGZKMNJ-JSGCOSHPSA-N 432.879 5.694 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)ccc4[nH]3)CCC2)cc1 1786366945 JMWFBJWCFWFXMB-UHFFFAOYSA-N 449.526 5.038 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(-c5cccnc5)cc4)cc3)CCC2)C1 1790589176 CETKYIJTWRIKOO-UHFFFAOYSA-N 437.543 5.463 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccnc4ncccc34)cc2)CCC1 1790900075 BXRKKGQJWSWELJ-NRFANRHFSA-N 440.547 5.146 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)CCC2)cc1 1792264208 GSUASSHOTRIREO-UHFFFAOYSA-N 446.934 5.761 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(C(C)(C)C)oc3C)CC2)C1 1805450746 VRELXMAMBVEQRU-UHFFFAOYSA-N 440.628 5.499 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccnc3ccccc23)n[nH]1 1818443885 IPLFHMITUGPTEL-QFIPXVFZSA-N 445.567 5.256 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)[nH]n1 1821923972 UINRXCKTWPXFES-ACJLOTCBSA-N 435.355 5.235 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C(F)(F)F)coc2C)CC1 1827856553 XDLNKEBNOLEHCA-BEFAXECRSA-N 440.506 5.052 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cnccc3c2)CC1 1828828578 MGNRMGCFVUDWHX-FTJBHMTQSA-N 445.607 5.237 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccs2)CC1 1829066266 ZDYYCQUIJJTISO-JOCHJYFZSA-N 430.658 5.293 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1 1831370375 RPIPXXUCTLHXPI-RLHVNXBHSA-N 442.566 5.187 30 20 IKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cc3cccc(F)c3)cc2)CC1 1831861389 HIAXKWFGVMRUJI-SANMLTNESA-N 448.582 5.226 30 20 IKED C=CCn1c(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)nc2ccccc21 10237931 SINOFGHXEXRCSX-UHFFFAOYSA-N 426.851 5.020 30 20 IKED C=CCn1c(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)nc2ccccc21 10237937 PXVITDXJKUHUKI-UHFFFAOYSA-N 425.863 5.625 30 20 IKED N#CCCN(C(=O)COC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccccc1 22615718 MVQPUYGLYYUSCG-XMMPIXPASA-N 430.529 5.010 30 20 IKED CCCCc1nc(-c2ccc(OCC(=O)N(CCC#N)c3cccc(C)c3C)cc2)no1 63539396 ZWVVFFMXAQZNNM-UHFFFAOYSA-N 432.524 5.022 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCc2ccccc2C(F)(F)F)cc1 65139418 CTEJVMDXIWBGNR-UHFFFAOYSA-N 440.490 5.842 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1nc(-c2ccsc2)oc1C 97542494 IPOQVFUPBIOFNU-UHFFFAOYSA-N 443.528 5.652 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3cc4c(cc3Cl)OCCCO4)c2)cc1 303560461 ACAZBERSEPTZOM-UHFFFAOYSA-N 434.879 5.204 30 20 IKED CCCN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)[C@H](C)C(=O)Nc1ccccc1 303591657 HWDUCXSFDJTHOI-HXUWFJFHSA-N 441.531 5.017 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1 409542038 BSTFNEDJKJQXLD-UPVQGACJSA-N 444.506 5.360 30 20 IKED CN(CCCC1(C#N)CCOCC1)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 410312833 HGWLGDJHKBMDBV-UHFFFAOYSA-N 448.998 5.725 30 20 IKED O=S(=O)(Nc1ccccc1CCC(F)(F)F)c1cccc(OC(F)(F)F)c1F 427238940 LSYJWTVTUVMGIU-UHFFFAOYSA-N 431.329 5.020 30 20 IKED COc1cc(Cl)c(Br)cc1C(=O)Nc1ccccc1S[C@H](C)CC#N 428718161 GVODBZNHBIGNSJ-LLVKDONJSA-N 439.762 5.758 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 429202464 ZRXRJQJUFLXIDD-UHFFFAOYSA-N 436.512 5.334 30 20 IKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 429254124 PVKUXPGYECDYHO-UHFFFAOYSA-N 428.492 5.307 30 20 IKED CCOc1ccc2c(c1)CCN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1C)C2 434211111 FPDBGMGBPYSIBB-UHFFFAOYSA-N 427.504 5.648 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O 436404975 ABXNGQXXBWSIHE-PGRDOPGGSA-N 428.598 5.143 30 20 IKED N#Cc1ccc(SCC(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 437021608 MONVHRCPPOFEPB-UHFFFAOYSA-N 433.480 5.109 30 20 IKED C=CCC[C@@H](NC(=O)CCc1nnc(-c2ccsc2)o1)c1ccc(C(F)(F)F)cc1 441558946 OMGUATGNCQTCLQ-QGZVFWFLSA-N 435.471 5.573 30 20 IKED C=CCC[C@H](NC(=O)N1CCC[C@@H](Cc2nccn2C)C1)c1ccc(C(F)(F)F)cc1 442285044 PCKNQLWXCCFHBG-PXNSSMCTSA-N 434.506 5.111 30 20 IKED N#Cc1ccc(CSCC(=O)N(CC(F)(F)F)c2ccc(Br)cc2)cc1 443899171 KUNPJDYNLSPIEC-UHFFFAOYSA-N 443.288 5.149 30 20 IKED CC(=O)Nc1sc(NC(=O)c2cn(CCCC#N)c3ccccc23)nc1-c1ccccc1 444364318 QTQARYDKTNTACU-UHFFFAOYSA-N 443.532 5.279 30 20 IKED O=C(Cc1c[nH]c2cc(F)ccc12)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444430291 FFNXPGVVOLKGLL-QGZVFWFLSA-N 432.339 5.678 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1 444903417 PSJDITLHKNJOMZ-INIZCTEOSA-N 444.816 5.212 30 20 IKED N#Cc1cc(N2C(=O)N[C@@H](c3cccs3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1 445926819 ULFXVECMMORXDX-SFHVURJKSA-N 443.406 5.228 30 20 IKED Cc1cc(C[C@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)n(-c2ccccc2)n1 448354353 KBTMUDWAPTYIPO-HKUYNNGSSA-N 433.581 5.328 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 464944383 XBWYDLNUJNHXCD-AZUAARDMSA-N 441.478 5.741 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCCc2nnc(-c3ccccc3)o2)c1 467605212 AVJQQXJQAHAPSK-UHFFFAOYSA-N 444.878 5.026 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(F)(F)F)cc2Cl)cc1 467931329 WTPOLMDUUVKUQS-MKXGPGLRSA-N 436.817 5.298 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 469164553 ZVHXTZKVUUECAT-RUZDIDTESA-N 431.923 5.226 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 469226062 LDIZKGUIVUDKIT-AWEZNQCLSA-N 426.929 5.213 30 20 IKED N#CCCCn1cc(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c2ccccc21 469768762 LYVMXLCKGAUTCX-QFIPXVFZSA-N 441.453 5.178 30 20 IKED COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)Nc1ccccc1SC[C@H](C)C#N 470364239 SJGURAYTQONHJU-CABCVRRESA-N 433.961 5.649 30 20 IKED COc1cccc2c1CC[C@@H]2NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 470792832 KZQNMJCILGWSAF-DEOSSOPVSA-N 427.504 5.149 30 20 IKED CSc1ccccc1CN(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 471243245 ITLTVKUGDYMPEC-UHFFFAOYSA-N 430.533 5.196 30 20 IKED Cc1nnc(-c2cccc(C#N)c2)n1[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 471299824 DNNSZRCERUYURJ-NSHDSACASA-N 425.279 5.091 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1 472871490 PJOOCRBLAFOYEW-CTNGQTDRSA-N 431.471 5.057 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 474790942 NBMQCTTYLBLRFY-IBGZPJMESA-N 430.335 5.038 30 20 IKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1 475402539 FGBNBFAQPHHHRM-UHFFFAOYSA-N 446.359 5.270 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 475548472 RCFWPXRGAVYOLR-UHFFFAOYSA-N 430.552 5.293 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(=O)Nc1ccccc1 481304009 XEKTVYKLWJNPEP-HNNXBMFYSA-N 434.883 5.153 30 20 IKED COc1cc([C@H](C)N[C@@H]2CCCCc3cc(C#N)ccc32)ccc1OCc1ccncc1 481914388 KOUGBDCQFNUCHF-UQBPGWFLSA-N 427.548 5.659 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N(CCC(F)(F)F)Cc3ccccc3)o2)cc1 482402924 QWJXJOBGKYVVOX-UHFFFAOYSA-N 428.410 5.325 30 20 IKED Cc1cc(-c2cc(C(=O)[C@@H](C#N)c3nccc4ccccc34)c3c(C)noc3n2)c(C)s1 483241522 WGGOCMMFTNJFFP-FQEVSTJZSA-N 438.512 5.915 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 483627484 UGZBEIYCAPXLQQ-YLJYHZDGSA-N 447.564 5.747 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)NC34CCC(C(F)(F)F)(CC3)CC4)s2)cc1 485593917 AQLQBTHKGZKCDV-UHFFFAOYSA-N 434.487 5.382 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3cccc4cc(Br)cnc34)CC2)cc1 486963699 IHXQHCQYPMJTMA-UHFFFAOYSA-N 433.309 5.190 30 20 IKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)nnc1C1CC1 487983930 XODYWTTVWUXXOO-UHFFFAOYSA-N 446.001 5.158 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 488334030 QGAUXPMQGACYOP-LBPRGKRZSA-N 438.431 5.330 30 20 IKED C=C[C@H]1CCCCN1C(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 488853799 MPGBQNLNJIPNRP-RDJZCZTQSA-N 439.606 5.253 30 20 IKED C=CCOc1ccccc1CN[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C 492159448 OTZHQWZTOMOFSM-SANMLTNESA-N 435.589 5.151 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)NCc2ccccc2CN2CCCCCC2)o1 493809135 KSOYZNOQQLCFRT-UHFFFAOYSA-N 443.547 5.036 30 20 IKED C[C@@H](N[C@H](C)c1ccc(OC(F)F)cc1OC(F)F)c1nc(C(F)(F)F)cs1 494415462 YOYDLHDYKWZCBL-HTQZYQBOSA-N 432.361 5.777 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2F)C(C)C)nc2cc(Cl)ccc2c1=O 505388196 PPHNKPNASZNHBZ-IBGZPJMESA-N 445.947 5.130 30 20 IKED C[C@@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1ccccc1Oc1ccccc1 506170618 ORMZNDGABYONLH-LJQANCHMSA-N 448.544 5.047 30 20 IKED C=CCn1c(SCc2cc(Br)cc3cccnc23)nc2ccccc2c1=O 507900043 DTXFLYUNRJWLRJ-UHFFFAOYSA-N 438.350 5.186 30 20 IKED N#Cc1c(NC(=O)c2ccccc2I)sc2c1CCCCCC2 511077754 UMHQLRSLWKDIMO-UHFFFAOYSA-N 436.318 5.136 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccc(F)c2ccccc12 511720468 LMZNRNWIXQPSOP-HOTGVXAUSA-N 435.524 5.047 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)CCNC(=O)c1ccc2ccccc2c1 515690272 KZKZWPMYTOEATD-UHFFFAOYSA-N 425.513 5.199 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(-c4ccccc4Cl)on3)n2)cc1 516269888 BWVALSCRFKEUPK-MRXNPFEDSA-N 435.892 5.617 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1[nH]c2ccc(Br)cc2c1Cl 517457518 ZDRKMCCWKTWIFM-LLVKDONJSA-N 448.773 6.088 30 20 IKED Cc1ccc(-n2nnc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c2C)cc1 517724666 HOZDHMDYDIYIAQ-QFIPXVFZSA-N 441.922 5.445 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C3CCN(c4nc5ccccc5o4)CC3)cc2)c1 518231424 CSWCZJXBDZUXTL-UHFFFAOYSA-N 438.487 5.347 30 20 IKED Cc1cccc(COc2cccc(CC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c2)c1 518492231 ZBDYUDCNPUBFFT-UHFFFAOYSA-N 440.543 5.058 30 20 IKED COc1cccc(C2(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)CCCC2)c1 518691223 ALRIRZZXVHFMLX-UHFFFAOYSA-N 427.504 5.513 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1Cl 519319053 WRPHQZBFRQMZQW-QHCPKHFHSA-N 431.923 5.084 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 520855413 LXOLVKICFIRVHM-KDOFPFPSSA-N 431.508 5.739 30 20 IKED N#Cc1c(NC(=O)CCc2nnc(-c3cc4ccccc4o3)o2)sc2c1CCCCC2 523581723 FHNRPFKFUJJMIY-UHFFFAOYSA-N 432.505 5.256 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 524371835 WVTRLLSASUTDNN-UHFFFAOYSA-N 426.451 5.702 30 20 IKED C[C@H](O)C[C@H](CNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccccc1 534148810 GPMHAJRFOPOEDO-LAUBAEHRSA-N 434.923 5.288 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)sc1Br 534691049 LPFSOCPUCIAMOL-QMMMGPOBSA-N 427.732 5.272 30 20 IKED C=C[C@H](CC(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1ccccc1 536202695 FABSBZIOJLMZRN-GOSISDBHSA-N 441.499 5.237 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3CCO[C@@H]3c3ccc(F)c(F)c3)cc2)c1 540556044 YEXWMPRRMBGVQB-XZOQPEGZSA-N 435.430 5.280 30 20 IKED N#CCC1CCN(C(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 543829003 JQBJTNIGNMHDCL-UHFFFAOYSA-N 445.445 5.507 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1ccc([N+](=O)[O-])cc1Cl 543862999 CHKUPLCIBSWFQS-UHFFFAOYSA-N 434.880 5.036 30 20 IKED C[C@@H](NC(=O)N[C@@H](c1ccccc1)c1ccccn1)c1ccc(-c2cccc(C#N)c2)cc1 543936401 SLTFGTFEJUOPEJ-HRFSGMKKSA-N 432.527 5.770 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1-c1nc(Cc2ccncc2)no1 546304774 RKGIULHYQIVUNA-UHFFFAOYSA-N 431.521 5.061 30 20 IKED CC(=O)N1CCc2c(NC(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)cccc21 547397607 PJMKGFHVCSPCAY-UHFFFAOYSA-N 430.439 5.043 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1 553020661 CTDDLGRTSFVKNI-UHFFFAOYSA-N 429.448 5.346 30 20 IKED CCOc1ccc([N+](=O)[O-])c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 555085460 JPMJNBKDLMJXPZ-MRXNPFEDSA-N 427.869 5.260 30 20 IKED CC[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(OC(F)(F)F)cc1 556893441 UBTGTNFSPJRONO-HXUWFJFHSA-N 431.458 5.731 30 20 IKED N#Cc1ccc(N2CC[C@@H](C(=O)Nc3ccc(Oc4ccc(Cl)cn4)cc3)C2)c(F)c1 567070201 KZSOIYOPEWGGIJ-MRXNPFEDSA-N 436.874 5.003 30 20 IKED COCCC[C@@H](c1ccc(Cl)cc1)c1noc([C@@H]2CCCN2c2ccc(C#N)cc2)n1 586757808 IKJPFFGMNYACPH-VXKWHMMOSA-N 436.943 5.495 30 20 IKED C[C@@H](Sc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(CCC#N)c1ccc(F)cc1 598951552 RIHGBTMFADLJLS-CQSZACIVSA-N 429.904 5.562 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCc1nc(-c2ccsc2)no1 603532673 JXZZNIDPIWKPHR-UHFFFAOYSA-N 446.507 5.283 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3nc4ccccc4s3)cn2)cc1 603689724 BYIGQMOCBFXXBY-FQEVSTJZSA-N 441.516 5.724 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c(OC)c1 603692868 PKOWWIILSGVEFM-QFIPXVFZSA-N 444.491 5.132 30 20 IKED C[C@@H](Oc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cn1)c1ccccc1 603898084 WLKICHSLHZZSSX-OAHLLOKOSA-N 441.409 5.287 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604257983 SAJLCCWKYLTRBN-HUUCEWRRSA-N 426.360 5.428 30 20 IKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1ccccc1Sc1ccccc1C#N 604519990 XMFCKJIPQODWKC-GJZUVCINSA-N 442.584 5.949 30 20 IKED CCCC[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609054141 WFGIMRDPGYFSDL-AAIMPIBUSA-N 437.971 5.409 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3cc(-c4ccccc4)n(-c4ccccc4)n3)CC2)c1 609184999 NMRLTQMUNZJXGP-UHFFFAOYSA-N 448.526 5.095 30 20 IKED Cc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1NC(=O)C(C)(C)C 609508041 KPDDSSYPGSSUNI-UHFFFAOYSA-N 441.531 5.683 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCSC[C@@H]2c2ccccc2)cc1 609682150 OFVCQNQMOKGGOD-JOCHJYFZSA-N 445.544 5.681 30 20 IKED C[C@@]1(C(=O)Nc2sc3c(c2C#N)CCCCCC3)CCCN(C(=O)c2ccccc2)C1 610224952 ONXYWJUMTQYGRZ-RUZDIDTESA-N 435.593 5.160 30 20 IKED CCOC(=O)CCC1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CC1 614166494 NBTKZPPJLZQAHK-UHFFFAOYSA-N 449.551 5.033 30 20 IKED O=C(c1ccc(-c2ccc(F)cc2)s1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618297180 DEXCDQSLGLSWAR-RYUDHWBXSA-N 425.369 5.757 30 20 IKED N#CCn1c(C(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)cc2ccccc21 619607692 SPBBTIACMUJPBR-UHFFFAOYSA-N 429.417 5.285 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 642281560 JOHDTNTUCYNNFF-CQSZACIVSA-N 433.316 5.624 30 20 IKED O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)Nc1cccc(C#Cc2cccs2)c1 673634695 OGJFRUFNQSLGDO-UHFFFAOYSA-N 433.920 5.423 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC(Cc2ccc(F)c(F)c2)C1 674618381 ILKOESLRSLQMHZ-WDNDVIMCSA-N 444.366 5.058 30 20 IKED Cc1nc2cc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)ccc2n1Cc1ccsc1 682670531 YWECOVKZRFCENQ-KRWDZBQOSA-N 446.532 5.693 30 20 IKED FC(F)(F)c1nc(NN=Cc2c(-c3ccccc3)nc3sccn23)c2ccccc2n1 725832555 HNQSOVJOZWOMKD-UHFFFAOYSA-N 438.438 5.471 30 20 IKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1cc(C)[nH]c1C 726570869 MUDWWBQBCFJCHF-UHFFFAOYSA-O 437.976 5.330 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1 728005431 KRNJWDXMYZCFNE-UHFFFAOYSA-N 443.503 5.737 30 20 IKED C#Cc1cccc(N(Cc2ccccc2)C(=O)CCCc2nc(-c3cccs3)no2)c1 728248338 JWTLFVQNGXJQPO-UHFFFAOYSA-N 427.529 5.336 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)O[C@H](c3cccc(F)c3)c3ccccn3)o2)cc1 729195099 RYOMYEWMQKYPHY-XMMPIXPASA-N 428.419 5.211 30 20 IKED Cc1ccc(-c2nnc([C@H](C)OC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)o2)cc1 732399252 LDJJPXHLFMIWMX-INIZCTEOSA-N 426.432 5.022 30 20 IKED CC(C)c1ccc2c(Cl)c(C(=O)OCC(=O)NCc3ccc(C#N)cc3)sc2c1 732683877 FLQWDHOIZZUGTG-UHFFFAOYSA-N 426.925 5.023 30 20 IKED Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 735166075 YPCMTXUTMSLDBK-KRWDZBQOSA-N 448.906 5.805 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(F)c(Cl)c2)[n+]2ccccc2CC)c1 736269245 HWPSLCTVNMYGPH-UHFFFAOYSA-O 437.947 5.634 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)OCC(=O)Nc1c(Cl)cccc1Cl 740327510 MIZCEIDLUSIGNQ-UHFFFAOYSA-N 448.224 5.373 30 20 IKED CSc1ccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 741111544 RFACYRFTZMRQEK-IAQYHMDHSA-N 436.480 5.681 30 20 IKED O=c1c2cc(Br)ccc2ncn1N=Cc1cc(Cl)ccc1OC1CCCC1 743433548 AKLHKDRRWNQWDI-UHFFFAOYSA-N 446.732 5.016 30 20 IKED COc1cc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)ccc1OCc1ccc(F)cc1 745626027 HVKLIUROCGQSSB-XFFZJAGNSA-N 447.462 5.266 30 20 IKED CC(C)CO[C@@H](C)c1noc(CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)n1 745993918 YFEBGEZFPMJIHU-INIZCTEOSA-N 440.931 5.519 30 20 IKED CC(C)(CO)[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 747229416 MDVHCZLHAAOLLW-LOSJGSFVSA-N 427.548 5.266 30 20 IKED Cc1c(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)cnn1-c1ccccn1 748442571 VQFBRJFFLPNGRK-SEYXRHQNSA-N 442.906 5.378 30 20 IKED O=C1/C(=C/c2csc([N+](=O)[O-])c2)CC2(CCOCC2)C/C1=C\c1csc([N+](=O)[O-])c1 751516553 DDIGQBVLZBKVFK-IAGONARPSA-N 446.506 5.253 30 20 IKED COc1cc(F)c(C(=O)/C=C\c2csc(COc3ccc(Cl)cc3)n2)cc1OC 760268668 BHFCLQMQVFUBCY-YVMONPNESA-N 433.888 5.428 30 20 IKED N#Cc1cccc(COc2ccc(NCc3nnc(-c4cccc(Cl)c4)o3)cc2F)c1 760454735 HSXISPSZEMKRLW-UHFFFAOYSA-N 434.858 5.592 30 20 IKED O=C(/C=C/c1cc(Cl)ccc1OC[C@@H]1CCCO1)c1cc(Br)ncc1F 762422865 BBYRTLASBHFCQU-KQIUPUNMSA-N 440.696 5.091 30 20 IKED N#CCCN(C(=O)c1ccc(C2SCCCS2)cc1)C12CC3CC(CC(C3)C1)C2 763181048 UCPMRLOZYIRZFR-UHFFFAOYSA-N 426.651 5.880 30 20 IKED C[C@@H]1CCC[C@@H](OCCCCCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)C1 766622926 KNWPMEQIUSDRIL-NXHRZFHOSA-N 439.383 5.796 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1C#N 778049102 FNAHZLIRCHNJNY-UHFFFAOYSA-N 426.432 5.043 30 20 IKED CC(C)(C)OC(=O)NCCCCC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 781690474 LZFGRNCECGEHCW-UHFFFAOYSA-N 427.476 5.123 30 20 IKED N#CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 784125529 JILYIZWYMKOCQV-JOCHJYFZSA-N 442.544 5.104 30 20 IKED O=C(CN[C@@H](c1cccc(F)c1F)C(F)(F)F)Nc1ccccc1SC(F)F 784314303 FMRUSSOBJQGLOQ-HNNXBMFYSA-N 426.357 5.111 30 20 IKED C/C=C(\CC)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 789406607 ZHEQCKJOJZXNAQ-ZZXKWVIFSA-N 428.213 5.328 30 20 IKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1ccccc1Oc1cccc(C)c1 799603077 JGWBEXSRVWFQCR-HXUWFJFHSA-N 444.487 5.114 30 20 IKED Cc1cc(Cl)ccc1O[C@@H](C(=O)OCCCC1(C#N)CCOCC1)c1ccccc1 800163187 BRWFAMYTWUHCRI-JOCHJYFZSA-N 427.928 5.412 30 20 IKED N#C[C@@H](C(=O)Cc1c(F)ccc(Br)c1F)c1nc2cc(Cl)ccc2s1 800385408 BOMACJLSIBFJNG-JTQLQIEISA-N 441.684 5.409 30 20 IKED CC(C)c1nn(Cc2ccccc2)c(Cl)c1CN1CCC(C#N)(c2ccccn2)CC1 800528401 NDYFXZPXYITERM-UHFFFAOYSA-N 433.987 5.161 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N(C)Cc1c(C)noc1C 802559555 AMAPLCWOEJWCFH-UHFFFAOYSA-N 443.551 5.341 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 806265241 MCLWCFRBVRYISN-DVECYGJZSA-N 445.588 6.391 30 20 IKED C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 809888286 SSFBVPKNTFBFJC-NQIIRXRSSA-N 428.367 5.008 30 20 IKED N#Cc1ccc(NC(=O)CSc2nnc(Nc3ccc(SC(F)F)cc3)s2)cc1 811931338 DBCCEKTXYCYQSJ-UHFFFAOYSA-N 449.533 5.199 30 20 IKED Cc1c(-c2ccccc2)oc2c(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)cccc2c1=O 813216203 OTJOEIFPWLVJRT-IBGZPJMESA-N 448.400 5.672 30 20 IKED COc1cccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)N=C2SCCOCCC#N)c1 814717661 PEDLGFAYIGANFS-XQNSMLJCSA-N 449.576 5.226 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@@H]1c1noc(-c2cccc(COc3cccc(C#N)c3)c2)n1 904701532 HCGYDPLRCZQPDX-OAQYLSRUSA-N 446.507 5.259 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(Br)s1 916909595 PTRNCZVJBKHHEJ-AWEZNQCLSA-N 441.306 5.264 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3cc(Br)ccc3F)n2)cc1 916973409 XDABZHMFSATEHR-NADMHLTPSA-N 441.325 5.910 30 20 IKED C=CCN(Cn1nc(-c2cccnc2)n(-c2ccc(Br)cc2)c1=S)C(C)C 917481770 ZFJAZRSTPDJDOY-UHFFFAOYSA-N 444.402 5.082 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(OC(F)F)cc2)cs1 917561353 CCQRZSJLCWYXOD-WDZFZDKYSA-N 448.878 5.979 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(C3CCCCC3)cc2)cs1 917561646 IVCAHRGXLPEPRR-SAPNQHFASA-N 444.600 7.080 30 20 IKED Cc1ccc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2cccc3ccccc23)s1 917652503 HHQSGGHBBGARIG-NRFANRHFSA-N 449.601 5.010 30 20 IKED C=CCN(C(=O)NC[C@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12)C(C)C 918057852 BWWJUQAIAYKQRL-OAQYLSRUSA-N 435.568 5.313 30 20 IKED O=C(CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)Nc1ccc(SC(F)F)cc1 918741141 SOXVELAMRPDJEP-UWVGGRQHSA-N 436.368 5.003 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccccc3OC(F)(F)F)n2)cc1 920139409 TYEAJOZVRDDWKG-VGMNTSGFSA-N 444.434 5.607 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3c(C)nn(-c4ccccc4)c3C)n2)cc1 920139634 WIOJBGDWHYXSLS-QFIPXVFZSA-N 442.544 5.040 30 20 IKED C[C@H](c1ccc2ccccc2c1)N(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)C1CC1 920415241 ZXHYRZDZRHPNLG-KOSHJBKYSA-N 432.527 5.602 30 20 IKED COc1ccccc1-c1ccc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c(O)n1 1125266069 MNVLNXRNEZJVLG-UHFFFAOYSA-N 433.533 5.307 30 20 IKED Cc1ccc(-c2cc(C(=O)Nc3ccc(C4(NC(=O)CCC#N)CCC4)cc3)c[nH]2)cc1 1787032016 ONWCJXPNUFFWSI-UHFFFAOYSA-N 426.520 5.042 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)cc(Cl)c3)CCC2)cc1 1790569486 OEOJOAGLJCZSHJ-QGZVFWFLSA-N 441.959 5.197 30 20 IKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc4occ(Cl)c4c3)CCC2)cc1 1791576810 DEVBEDVFYFIARE-CYBMUJFWSA-N 428.941 5.152 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccncc3-c3ccccc3)CCC2)cc1 1791585731 LVUVKKSIVAEKKK-UHFFFAOYSA-N 437.543 5.300 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/C2CCCCC2)[C@H]1c1cccnc1 1808507527 IKDMBQMJDRTHDU-LOKBFVEHSA-N 437.628 5.216 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cc4ccoc4s3)C2)CC1 1810511049 NVGZFLWFOGDVGX-IBGZPJMESA-N 426.582 5.108 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3ccoc3c2)[C@H]1c1cccnc1 1812144638 HNLMDCFAPBXZPQ-LADGPHEKSA-N 445.563 5.140 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cccc(C)c3[nH]2)n[nH]1 1819024681 VWEBVPMMMJCNPE-OAQYLSRUSA-N 447.583 5.498 30 20 IKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)[nH]n1)C(F)(F)F 1821993249 XARYMAMWEHMFQA-QGZVFWFLSA-N 440.510 5.127 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sccc2OCC)CC1 1823749296 GSKXZROJEKHEJZ-FQEVSTJZSA-N 446.657 5.373 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCOc2ccccc2)CC1 1823750262 GKVAYNKHJRFSSS-XMMPIXPASA-N 440.628 5.068 30 20 IKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCCC(C)(C)C)CC1 1830418961 IGLQKDAFRCTOAC-GMAHTHKFSA-N 449.680 5.404 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccsc3[nH]2)CC1 1830886123 DHPIPTSAZZZMTP-RBBKRZOGSA-N 439.625 5.231 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)c2cccs2)CC1 1832142834 BZRFCBSEHWMIOB-NNWRFLSQSA-N 428.642 5.240 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2[nH]c(C)c(C(C)=O)c2C)[n+]2ccccc2CC)cc1 10173462 LBLJBOUGCWKJFY-UHFFFAOYSA-O 448.612 5.297 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(C(C)C)cc2)cc1 11265268 KXWQKFIIKQKPQV-UHFFFAOYSA-O 437.654 6.389 30 20 IKED CC(=O)N(c1nc(COC(=O)/C=C/c2ccccc2C#N)cs1)c1c(C)cc(C)cc1C 11541729 OUDHQWMAMRGDKL-MDZDMXLPSA-N 445.544 5.381 30 20 IKED Cc1ccc(-c2csc3ncnc(SC[C@@H](O)COc4ccc(C#N)cc4)c23)cc1 11975663 FDMYZEHLSXMDNS-SFHVURJKSA-N 433.558 5.070 30 20 IKED CCCCCCn1c(SCc2nc3ccccc3c(=O)n2CC#N)nc2ccccc21 21237354 DLQNDTPOOJRZTN-UHFFFAOYSA-N 431.565 5.142 30 20 IKED Cc1ccc(-c2cc(/C(O)=N/c3nc(CN4CCOCC4)cs3)c3ccccc3n2)cc1 23312469 KNPXAUFGWBMRLR-UHFFFAOYSA-N 444.560 5.135 30 20 IKED Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)cc1 24841268 BYHAYYPZIWGZKP-HSZRJFAPSA-N 425.561 5.482 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(F)cc2F)nnc1-c1ccc(Cl)cc1 29829600 NSGKGISBGBOQFB-CYBMUJFWSA-N 448.926 5.032 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1cccc(C(C)C)c1 29841216 GHTJCJNABZCWIM-UHFFFAOYSA-N 440.544 5.036 30 20 IKED Cc1cc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c2cnn(C(C)C)c2n1 32290001 UYSMQTQGPDXJJY-UHFFFAOYSA-N 425.492 5.024 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 59799203 HYXTXYSEDJJPBN-UHFFFAOYSA-N 425.315 5.820 30 20 IKED N#Cc1c(NC(=O)Cc2csc(-c3ccccc3Cl)n2)sc2c1CCCCC2 61047405 QWFDOZSMOVDDEM-UHFFFAOYSA-N 427.982 5.847 30 20 IKED COc1ccc(OC)c(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 65447517 UKOSCVLFCSHDMT-JOCHJYFZSA-N 449.938 5.377 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 71943077 BTCULVWJZZRZFC-UHFFFAOYSA-N 435.499 5.840 30 20 IKED CCN(C(=O)c1cccc(OCc2cn3cc(C)ccc3n2)c1)[C@H](C)c1ccc(C#N)cc1 105905407 MOHYIIWMIJJOIT-HXUWFJFHSA-N 438.531 5.317 30 20 IKED O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 410174798 WYECFTSFIYYQEN-KGLIPLIRSA-N 441.387 5.741 30 20 IKED N#CCSc1cccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 429957240 YLQCCCKXEODLPH-UHFFFAOYSA-N 442.519 5.224 30 20 IKED N#CCSc1cccc(C(=O)Nc2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)c1 431332701 KZUHFAVLQWHTDY-UHFFFAOYSA-N 428.439 5.712 30 20 IKED N#C[C@H](C(=O)c1ccc(N2CCCc3ccccc32)cc1)c1nc(-c2ccncc2)cs1 432488205 JFJXYIRWAIRRPL-JOCHJYFZSA-N 436.540 5.779 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(Cn2nc(C#N)c3ccccc32)cs1 432496272 KPTIVLMXPWVDCF-UHFFFAOYSA-N 441.438 5.116 30 20 IKED COC(=O)Cc1sc(NC(=O)c2sc3ccc(C#N)cc3c2C)nc1-c1ccccc1 432894915 SUTOFZDBGRKSNW-UHFFFAOYSA-N 447.541 5.173 30 20 IKED CN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(C(F)(F)F)cc1Cl 439116887 IFAAIHNNWJERII-UHFFFAOYSA-N 437.849 5.049 30 20 IKED N#CCC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 439300627 FOIQQPLQCDRSDN-ISKFKSNPSA-N 428.923 6.162 30 20 IKED CN(C(=O)Cc1ccc(NC(=O)N[C@H](CCC#N)c2ccccc2)cc1)c1ccccc1 439307484 WTCYKCPDLMPTEZ-XMMPIXPASA-N 426.520 5.059 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2nc(-c3ccc(O)cc3)cs2)c1 439515314 CULZKOLICYOOSI-UHFFFAOYSA-N 427.485 5.219 30 20 IKED Cc1ccnc(Oc2cc(N[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)ccc2C)c1 439615221 BMOSHIHXBHLXAN-INIZCTEOSA-N 432.549 5.352 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 442874547 MNFZGUPSCKXDOB-LJQANCHMSA-N 443.919 5.319 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H](Oc2ccccc2Cl)C1 443637794 CAOPANQBJNLKIS-ROUUACIJSA-N 444.000 5.074 30 20 IKED N#Cc1ccc(/C=C\c2nc(CC(=O)Nc3nc(-c4ccccc4Cl)cs3)no2)cc1 445425761 FXMKSOCOYLULIS-KTKRTIGZSA-N 447.907 5.070 30 20 IKED Cc1ccccc1[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCO1 461845939 VVGRDTMIXASTPO-UPVQGACJSA-N 427.552 5.036 30 20 IKED C=CCOc1cccc(CNC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)c1 462726887 ATVRSSWMWVVASG-UHFFFAOYSA-N 429.560 5.626 30 20 IKED CSc1cccc([C@H](NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c2ccc(F)c(F)c2)c1 464115495 NKUJVPAGIDWKSI-CMJOXMDJSA-N 438.499 5.231 30 20 IKED CC(C)(C)Cc1nc(-c2ccc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cc2)no1 464943619 UWPOVZJGQDXLIZ-YADHBBJMSA-N 428.536 5.237 30 20 IKED N#Cc1cccc(-c2cc(C(=O)N3CCSC[C@H]3c3cccc(C(F)(F)F)c3)on2)c1 468758964 ALQCRDRMPODXBC-IBGZPJMESA-N 443.450 5.162 30 20 IKED N#CCCCn1cc(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c2ccccc21 468907253 JGNMWWAOXRLEFO-QFIPXVFZSA-N 442.346 5.466 30 20 IKED COc1c(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)oc2ccccc12 473711286 CEBDOOOHPKQRLK-UHFFFAOYSA-N 443.478 5.364 30 20 IKED N#Cc1ccc(SCC(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1 474261934 BRMZSZLXDZUFGB-MRXNPFEDSA-N 432.389 5.479 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cc(OC)c1OCc1ccccc1 474442615 YSQQBWSLMMDUMD-GOSISDBHSA-N 436.533 5.353 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 474507224 DGCQIBJPTGOBET-FQEVSTJZSA-N 432.376 5.937 30 20 IKED N#CC[C@@H](CC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 475534297 UOUYIVUDEITIEY-LAUBAEHRSA-N 444.362 5.401 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 475560886 KGSLLSDBGSYCEU-GOSISDBHSA-N 433.474 5.638 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 475605188 XERXZHRCZFDVHC-MRXNPFEDSA-N 436.327 5.469 30 20 IKED CN(Cc1nc2c(s1)CCCC2)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 475651785 REDROKJJEAOZKH-UHFFFAOYSA-N 446.576 5.331 30 20 IKED CC(C)(C#N)c1ccccc1CN[C@@H](Cc1ccccn1)c1ccc(Br)cc1 475725374 YYQDNZHNSIWQJP-QHCPKHFHSA-N 434.381 5.719 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)c1 480077838 OQNJFGYBCMRCEK-NHCUHLMSSA-N 434.442 5.481 30 20 IKED CC(C)N(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(Br)cn1 483443127 WIQVGYJPEVUWFW-UHFFFAOYSA-N 436.309 5.563 30 20 IKED O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 483857435 OMRCHGIPZUWSJB-HOTGVXAUSA-N 433.327 5.355 30 20 IKED N#Cc1ccc2nc(NC(=O)c3cnc(Nc4ccc(Cl)cc4)c(Cl)c3)ncc2c1 485740307 WWULALQHAZGHPX-UHFFFAOYSA-N 435.274 5.199 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cc(COC(C)(C)C)on1 486503393 BSFQFKRDZILHNW-UHFFFAOYSA-N 434.496 5.284 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)CCC(=O)c3cccs3)s2)c(C(F)(F)F)c1 487325234 QKCOORUKUGBZPY-UHFFFAOYSA-N 449.479 5.287 30 20 IKED CC(C)(C#N)c1ccccc1CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 487461073 LMOVLWBUWNPKQV-FQEVSTJZSA-N 436.556 5.357 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3coc(-c4ccc(F)c(F)c4)n3)o2)cc1 489774656 JOVPIXYKRQPOKG-UHFFFAOYSA-N 427.432 5.527 30 20 IKED C[C@H](c1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1cc(C#N)ccc1Br 492483502 KULMFQLLIBXAOR-SNVBAGLBSA-N 433.154 5.304 30 20 IKED N#Cc1cccc(CNC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)c1 500238468 POYSWAOZYNGTLA-UHFFFAOYSA-N 438.409 5.151 30 20 IKED COc1cccc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1OC1CCCC1 503226057 NTSDRJBLCSNXBN-KRWDZBQOSA-N 439.581 5.590 30 20 IKED C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1 505935464 LZCHEAAEXCTOAY-NHCUHLMSSA-N 433.621 5.436 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)o2)cc1 505977385 SNNNAHVPFZMSIF-LJQANCHMSA-N 426.259 5.032 30 20 IKED O=S(=O)(Nc1cc(F)c(OC(F)F)cc1F)c1cc(Cl)ccc1C(F)(F)F 507978206 GABCPQUEVKOSLI-UHFFFAOYSA-N 437.720 5.039 30 20 IKED CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 508535882 WHGDWSFLTAVBHB-UHFFFAOYSA-N 447.476 5.370 30 20 IKED C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(C(=O)c2ccccc2)CC1 508732229 GPXABZWWVCZGBM-UHFFFAOYSA-N 437.547 5.087 30 20 IKED C=CCn1c(-c2ccccc2OC)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 508940425 YBVXFAIZGOUCBP-FQEVSTJZSA-N 445.350 5.024 30 20 IKED COc1ccc(C2(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CCC2)cc1 508976667 FGYRHIUDRQPYMN-UHFFFAOYSA-N 426.516 5.401 30 20 IKED CCCOc1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1OCCC 509260707 UZAFAVIAEZGMNS-UHFFFAOYSA-N 437.540 5.211 30 20 IKED CN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510024674 VWSNYSBZTOZAHE-HXUWFJFHSA-N 433.895 5.388 30 20 IKED CCOC(=O)CC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 510045033 NMGWNNWFDBEGCP-NRFANRHFSA-N 439.943 5.193 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1 510762565 KWMVFQNWMHVGGE-UHFFFAOYSA-N 445.485 5.376 30 20 IKED Cn1cc(CN2CCC(C)(c3nc4ccccc4s3)CC2)c(-c2ccc(C#N)cc2)n1 511123703 QJYGZILRBOTIBW-UHFFFAOYSA-N 427.577 5.122 30 20 IKED O=C(c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 513510219 AMCSYWASRQSWGJ-HNNXBMFYSA-N 449.370 5.225 30 20 IKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)cc12 513654916 OGOZPQUPHQEBEJ-OAHLLOKOSA-N 445.935 5.426 30 20 IKED C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 518375873 PYKYUUDKLVCLQR-AWEZNQCLSA-N 426.303 5.886 30 20 IKED CC(C)[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1nc(-c2cccnc2)no1 518755392 HJDZBWOSQQGLLQ-BEFAXECRSA-N 436.541 5.045 30 20 IKED Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C 519065680 BBMGWCSCGVALNR-UHFFFAOYSA-N 432.568 5.181 30 20 IKED Cc1cc(SC2CCCCC2)ccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 519502720 KBOPPQIYDNNBNR-UHFFFAOYSA-N 449.620 6.085 30 20 IKED C[C@@H](SCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc2ccccc2[nH]1 520615533 BQSLDYXNQLWQSW-MRXNPFEDSA-N 428.517 5.660 30 20 IKED CC(C)c1nc2ccc(NC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cc2s1 521444686 DWMOXAKRURJXEG-UHFFFAOYSA-N 433.581 5.031 30 20 IKED CC(=O)N(CCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)Cc1ccccc1 523866062 XTCNUYGPDQFASY-DEOSSOPVSA-N 445.950 5.373 30 20 IKED Cn1c(-c2cccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)c2)nc2ccccc21 525749240 AGUHBDQUTTWUFY-UHFFFAOYSA-N 445.482 5.552 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)CC(=O)Nc1ccccc1SC[C@H](C)C#N 532489803 MEGTZYIKGBJWJX-CVEARBPZSA-N 435.515 5.589 30 20 IKED C=CCn1c(SCC(=O)Nc2cc(SC)ccc2C)nnc1-c1ccc(Cl)cc1 539438349 AKTHQPMTNFNIHM-UHFFFAOYSA-N 445.013 5.546 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 539756422 GOHILCNFDZNBGY-AWEZNQCLSA-N 442.441 5.468 30 20 IKED CCc1ccc([C@H](N[C@H](C)c2ccc(C#N)c(F)c2)c2cccc(S(C)(=O)=O)c2)cc1 540710994 YZHKBWYRJZVGSU-NSYGIPOTSA-N 436.552 5.103 30 20 IKED O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1ccncc1F 542159509 DZIYXNARTRGERZ-GFCCVEGCSA-N 434.233 5.292 30 20 IKED CN(C)Cc1ccc(-c2ccccc2CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1 542421460 HOKJYEHAEJWMQQ-UHFFFAOYSA-N 438.575 5.161 30 20 IKED Cc1csc([C@@H](C)CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)n1 542677852 OMGSTXDVSMQLAY-AWEZNQCLSA-N 440.956 5.481 30 20 IKED N#Cc1cc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)ccc1Cl 542716308 BNIYYDLEWWIHEP-UHFFFAOYSA-N 448.885 5.193 30 20 IKED Cc1cc(Br)cc(C)c1N(CC(F)F)C(=O)c1ccc(C2(C#N)CC2)cc1 543391884 JIARSZDHSXNUQE-UHFFFAOYSA-N 433.296 5.533 30 20 IKED N#CCC1CCN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CC1 543838239 DDJOCSDHXBRNSK-CYVLTUHYSA-N 446.532 5.287 30 20 IKED N#Cc1cccc(OCc2cccc(-c3nc(-c4cccc(Cn5ccnc5)c4)no3)c2)c1 544965953 IVLCYICQQRYWDG-UHFFFAOYSA-N 433.471 5.099 30 20 IKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 549530776 AQAJWALPEWUDLN-CQSZACIVSA-N 433.562 5.440 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)NCc2ccc(Sc3ccc(F)cc3)cc2)CC1 554601040 JUADTCCXZYBABO-UHFFFAOYSA-N 446.551 5.139 30 20 IKED N#Cc1cc(NC(=O)N2CC3(CCC3(F)F)C2)ccc1Oc1ccc(C(F)(F)F)cc1 554983194 YRLHJDHISKQNHN-UHFFFAOYSA-N 437.368 5.632 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1nc2c(cc1C#N)CCCC2 561219749 HZICELCMIMNIJJ-UHFFFAOYSA-N 438.940 5.082 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC([C@H](F)c2ccccc2F)CC1 567072352 WMVONVONUJHEMG-AOMKIAJQSA-N 429.536 6.175 30 20 IKED COc1ccc(C(C)(C)c2noc(-c3cn(CCCC#N)c4ccccc34)n2)cc1OC 568444117 QLPJZSLZSMBYLU-UHFFFAOYSA-N 430.508 5.338 30 20 IKED CC#CCCCc1nc(CC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)no1 571125441 XRVBGNJMUFDYQI-UHFFFAOYSA-N 435.336 5.027 30 20 IKED C=CCn1c(SCc2nc(-c3coc(C)n3)no2)nnc1-c1ccc(Cl)cc1Cl 579289581 ZENXFUUIVRZIMP-UHFFFAOYSA-N 449.323 5.077 30 20 IKED Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 581340048 BPYZUDKAHCCYFD-CPJSRVTESA-N 442.519 5.343 30 20 IKED Cc1c(C(=O)Nc2ccc(CS(=O)(=O)C(C)(C)C)cc2)sc2ccc(C#N)cc12 582016312 RYTNBQFHHOWWJB-UHFFFAOYSA-N 426.563 5.047 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3occc3COc3cccc(C#N)c3)n2)cc1 588349016 OJVRAXYYYXDKBD-OAQYLSRUSA-N 439.496 5.652 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc4c(Cl)cccc4s3)s2)cc1 603449224 CNANJAHZZRWZMH-UHFFFAOYSA-N 442.978 5.822 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 603527135 CROBPWDRXGCMJZ-UHFFFAOYSA-N 427.508 5.195 30 20 IKED CC(C)n1ncc2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cnc21 603673374 NBSNBLPJIKXWEC-NRFANRHFSA-N 429.911 5.573 30 20 IKED Cc1c(C#N)c(NC(=O)CN(C)C[C@H]2CCCO[C@H]2c2ccccc2)n(C2CCCC2)c1C 604521386 GTYMOGVWEASHJR-GJZUVCINSA-N 448.611 5.130 30 20 IKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cnn1-c1ccccc1F 609065060 TXTDUHOCPDXGQO-UHFFFAOYSA-N 426.451 5.023 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(c2ccccc2)CC1 609079212 PDIXCYYXGXAGIK-UHFFFAOYSA-N 425.532 5.857 30 20 IKED COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 609281860 YXIWOQMVTQSOIB-VWLOTQADSA-N 441.531 6.427 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCn4cccc4[C@H]3c3ccccc3)c2)c1 609641762 PKBMFXXXSNRICE-HHHXNRCGSA-N 433.511 5.184 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ncc(-c2ccccc2)o1 610094232 PHXOTAZRBMYQRR-INIZCTEOSA-N 425.448 5.283 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H]3C[C@H]3c3c(F)cccc3Cl)c2)c1 610142086 UIABIOMREOXPSX-NQIIRXRSSA-N 448.885 5.281 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1nc(-c2ccc(Cl)cc2)cs1 613319845 QEFSMBQPOSHOQD-SFHVURJKSA-N 439.327 5.793 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](c2cccs2)C(C)(C)C)nnc1-c1ccccc1 613809384 VYPAUFCFCCEKEU-IBGZPJMESA-N 426.611 5.188 30 20 IKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NCc1ccc(C#N)c(Cl)c1 619787495 RGPDHYHOYYYPCW-UHFFFAOYSA-N 433.899 5.486 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C/c3c(F)c(F)c(F)c(F)c3F)SC2=S)cc1Cl 726626219 BFWNBWCFPHMARW-WMZJFQQLSA-N 446.809 5.313 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)sc1-c1ccc(F)cc1 726733275 UFIYSLDOSXFSTQ-FQEVSTJZSA-N 428.488 5.977 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=S)Nc2ccc3c(c2)OCCCO3)cc1 727277922 RHWVAONISYJBCY-UHFFFAOYSA-N 447.516 5.329 30 20 IKED CON=Cc1ccc(C(=O)Nc2ccc(OC)c(OCc3ccc4ccccc4n3)c2)cc1 728036588 TWXOYGPUCZQPER-UHFFFAOYSA-N 441.487 5.055 30 20 IKED O=C(CNc1ccc(C(F)(F)C(F)(F)F)cc1)Nc1ccccc1SC(F)F 729850113 VSRPVHNMZBKYEY-UHFFFAOYSA-N 426.357 5.706 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 730949609 XZJOOBWFXZPJAT-GFCCVEGCSA-N 444.563 5.187 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 731332168 FHKDVMOTJWADGM-CQSZACIVSA-N 430.455 5.538 30 20 IKED CCOC(=O)C1=C(Nc2ccccc2)O/C(=C\c2ccc(Oc3cccnc3)c(C)c2)C1=O 732713480 AFMNGUUZVWFDGY-JCMHNJIXSA-N 442.471 5.009 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)c1 733773187 UGOQEDLRIPPWDO-HXUWFJFHSA-N 444.560 5.066 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2ccc(-c3csc(C)n3)cc2)c1 733800276 XTKDVWSMKZBJOA-KKSFZXQISA-N 434.565 5.360 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Oc3ccc(NC(=O)c4ccco4)cc3)c2)cc1 734706682 RESMCLQBVKTCPD-UHFFFAOYSA-N 438.439 5.202 30 20 IKED COc1ccc(/C=C\C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1OCCC(C)C 735232274 KXOFDLLBNOTXCN-WMZJFQQLSA-N 438.492 5.013 30 20 IKED Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2)co1 735266962 GKAHIVIFWADBNY-QHCPKHFHSA-N 429.501 5.106 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=S)Nc3ccc(OC(F)F)c(Cl)c3)c2)cc1 735628888 YPNRFIYBZGXHTF-UHFFFAOYSA-N 445.878 6.414 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)cc2)CCO1 736492136 LQCBZUDPELCJNL-KRWDZBQOSA-N 447.922 5.481 30 20 IKED C=CCn1c(-c2ccco2)nn(CN(CC)Cc2cccc(-c3ccncc3)c2)c1=S 742159953 VQGPDSUAWZQKPA-UHFFFAOYSA-N 431.565 5.402 30 20 IKED CN(C)c1cc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2ccccc2n1 743092958 INFTWGZISDYMGL-XMMPIXPASA-N 435.531 5.278 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 743225323 DPORXYXFFPAOQQ-KRWDZBQOSA-N 427.520 5.632 30 20 IKED C=CCn1c(Cc2ccccc2)nn(CN2CC[C@H](CSc3ccccc3)C2)c1=S 743383490 RJXAJXURTHJPGV-NRFANRHFSA-N 436.650 5.263 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1ccc(OC2CCCC2)c(Cl)c1 743472929 SDLJNBPUBNVPGP-QGZVFWFLSA-N 441.959 5.417 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)cc1 744029029 PTKIXYUBACTKAD-HXUWFJFHSA-N 437.515 5.114 30 20 IKED N#Cc1ccc(CN(CC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)C2CC2)cc1 746114965 CKWNLKUGKRKWOJ-UHFFFAOYSA-N 443.161 5.775 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccccc3)s2)c(C)c1 746596993 KGXCWINOCKHVCA-IBGZPJMESA-N 447.560 5.228 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cccc(COC(C)(C)C)c2C)ccc1OC 747573220 AUYWREJDEAJFBG-FQEVSTJZSA-N 439.556 5.321 30 20 IKED Cc1ccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1N1CCOC1=O 748554939 VFKIFFOWBSDRGL-UHFFFAOYSA-N 429.501 5.227 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(OC(C)C)cc2)n1 749338455 PQGHOEDNLBWOAW-IBGZPJMESA-N 443.528 5.592 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1cc(Cl)sc1Cl)C(=O)Nc1ccc(Cl)cc1 756232637 CYGVQUJGGRMXDH-GFCCVEGCSA-N 429.712 5.019 30 20 IKED Cc1ccc(OC(F)F)c(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1 756824301 SGNZHWRCKKVPTB-UHFFFAOYSA-N 425.460 5.225 30 20 IKED N#Cc1c(F)ccc(/C=C(\c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)c1Cl 761476284 GJAKTUVOMLRFTB-UDWIEESQSA-N 437.883 5.199 30 20 IKED CCCOc1c(Cl)cc(/C=C\C(=O)c2cc(Br)ncc2F)cc1OC 762422927 CGXCFGBXOBSYQV-PLNGDYQASA-N 428.685 5.330 30 20 IKED C=C(Cl)COc1ccc([C@@H](C)NC2CCN(C(=O)c3ccc(OCC)cc3)CC2)cc1 765363973 PXTPIMGKGSROIM-LJQANCHMSA-N 442.987 5.172 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 767189542 ITKYYKTYWOTBDZ-SFHVURJKSA-N 440.421 5.379 30 20 IKED N#CCCCn1cc(C(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)c2ccccc21 767883346 SCVBMNDVXSUHHH-UHFFFAOYSA-N 429.501 5.478 30 20 IKED N#Cc1ccc(NC(=S)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1Cl 771848241 SXNCOLADRCPQAB-NSHDSACASA-N 430.908 5.263 30 20 IKED C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)[C@H](C)Oc1ccc(Cl)cc1Cl 777114315 IVRFPDYHNZDQFA-GJZGRUSLSA-N 434.367 5.094 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(C#N)cc2F)cc(Br)c1OC(F)F 781110706 INVRXHFKLCGUTG-GQCTYLIASA-N 440.215 5.356 30 20 IKED O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1ccc(C(F)(F)F)nc1Cl 781384233 LCJQXXIVKPKUQG-LLVKDONJSA-N 448.697 5.389 30 20 IKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc(OC)c1C(C)C 781449189 UFDIXHSJSBKFPV-INIZCTEOSA-N 448.491 5.103 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccc(-c2ccc(Br)s2)s1 782581168 GQEVBKKHLGPJLO-LBPRGKRZSA-N 431.336 5.200 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2cccnc2)n1)c1nc(-c2c(F)cccc2F)cs1 783363425 FCOYTIZDEZGDDH-AWEZNQCLSA-N 438.484 5.026 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2nnc(C3CCCCC3)s2)cc1 783681611 IYAZIUOBZJQSKJ-UHFFFAOYSA-N 434.590 6.002 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc(S(C)(=O)=O)cc1 785529713 JIVRMLFWZSOHPB-MRXNPFEDSA-N 440.952 5.367 30 20 IKED Cc1cc([C@H](CC(=O)Nc2ccc(Cl)c(C#N)c2)NC(=O)OC(C)(C)C)cc(Cl)n1 788428024 LVXBMQFNRZFECQ-KRWDZBQOSA-N 449.338 5.163 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 798391255 DKRLERWSVMQOBI-HNNXBMFYSA-N 425.410 5.815 30 20 IKED C=C(C)Cn1c(Cc2cccc3ccccc23)nnc1N1CCC(O)(c2ccccc2)CC1 802552984 VGTXITCOUQZCJW-UHFFFAOYSA-N 438.575 5.086 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(Br)ncc2Cl)cc1 806449791 CIULCNYAUUUWCO-QGZVFWFLSA-N 426.701 5.405 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3cc(-c4ccncc4)nc4ccccc34)cc2)ccn1 811613103 UVEOSSWSLKDIAN-UHFFFAOYSA-N 443.466 5.608 30 20 IKED N#Cc1cc(C(=O)O[C@@H](c2ccc(C(F)(F)F)cc2)C(F)(F)F)cnc1C(F)(F)F 816087970 SIYHYQMEMCDROR-ZDUSSCGKSA-N 442.237 5.451 30 20 IKED C[C@H](Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)c1cccc(-n2cnnc2)c1 864018529 JEMXRWCOKMRDAJ-LBPRGKRZSA-N 432.343 5.730 30 20 IKED Fc1ccccc1-c1noc(-c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)n1 904773454 GCVHRAYQNQRFDX-UHFFFAOYSA-N 436.283 5.425 30 20 IKED CC(=O)Nc1cccc([C@@H](C)/N=C\c2cc(Br)cc(Br)c2O)c1 914556628 CSVPJLPRDFSZAZ-ZHLXBYETSA-N 440.135 5.056 30 20 IKED Cc1cc([C@@H](C#N)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)nc(C)n1 915103280 OREYUPPNPVRKLL-JOCHJYFZSA-N 441.922 5.019 30 20 IKED CCOc1cc(/C=C/C(=O)c2cc3ccccc3o2)ccc1OCC(=O)Nc1ccccc1 916138520 ULQIBIFOCAEYHK-WYMLVPIESA-N 441.483 5.745 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(SC(F)F)cc2)nnc1-c1ccccc1C 916664707 WUFNDOQSGMTBRC-UHFFFAOYSA-N 446.548 5.485 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cc1sc(C)nc1-c1ccc(C)cc1 916899719 LMEHTLGQXMMANB-OAQYLSRUSA-N 445.588 5.442 30 20 IKED Cc1cc(Cl)ccc1O[C@@H](C)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916927866 PNLBFRLFTGWILO-SMDDNHRTSA-N 425.699 5.070 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(F)c(Cl)c1 916937107 BGWQJDVFIXIGAL-HNNXBMFYSA-N 446.265 5.068 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CCOc3ccc(F)cc3C2=O)cs1 917560571 RJSAKZRAGNCFQS-UVTDQMKNSA-N 426.444 5.155 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CSCc1ccc(Cl)cc1Cl 920109936 WOJKERNQSCKXNB-SFHVURJKSA-N 449.403 5.699 30 20 IKED C/C(=C\c1ccc(C)o1)C(=O)NC1(c2ccc(NC(=O)[C@@H](S)C(C)C)cc2)CCC1 1786393821 MCTCALCIEXATBB-OZIPEELISA-N 426.582 5.080 30 20 IKED Cc1ccsc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1787279215 ICZJFLAROKABPA-UHFFFAOYSA-N 429.545 5.184 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)CCC2)cc1 1789448730 FOQMHGDCUMYGBG-ZOXUKVPXSA-N 449.507 5.104 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@H]4C4CC4)CCC3)cc2)c1Cl 1790082697 GLBMJIHAPXZFJT-SFTDATJTSA-N 433.939 5.005 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4cccc(F)c34)cc2)CCC1 1790969155 CFNHJLRUYGDEFW-LJQANCHMSA-N 446.526 5.218 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4nc(C)ccc4c3)CCC2)cc1 1791582978 YSTCACKEQONQJL-UHFFFAOYSA-N 425.532 5.094 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2Cl)[C@H]1c1cccnc1 1802494101 BTWQKEPOYLBETB-KNQAVFIVSA-N 439.987 5.047 30 20 IKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)Cc3cc(F)ccc3Cl)C2)CC1 1806549128 MYLBJHKBFAEAEI-UHFFFAOYSA-N 446.994 5.021 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3C(C)(C)C)C2)CC1 1810298991 FSJVHQIFOLRTER-UHFFFAOYSA-N 439.644 5.216 30 20 IKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCCCC(C)(C)C)[nH]n1 1815658215 WLNFEGNQUWJVMR-IBGZPJMESA-N 434.650 5.318 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3ncccc3c2)n[nH]1 1818478329 JHBQLZXCKDXRHG-JOCHJYFZSA-N 445.567 5.256 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2)[nH]n1 1819307106 ALRMNGZRXHNCJY-ICSRJNTNSA-N 426.948 5.137 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ncccc23)CC1 1823752281 ONHFKBFVFBVIJX-VWLOTQADSA-N 447.623 5.461 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3occc3c2)CC1 1828827984 AWJGQZWEMABJIT-ZEQRLZLVSA-N 434.580 5.435 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)nc2)CC1 1831375548 ZTURHXUNBWGTKV-RLWLMLJZSA-N 445.607 5.194 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1831858625 AFRPOXQQQQPURT-HSZRJFAPSA-N 439.987 5.006 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)c1 9637114 RRYDRIBRLLAFMV-UHFFFAOYSA-N 449.555 5.075 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccc(F)c(Cl)c2)c1 10753894 XBFUXWBVCJDRSH-UHFFFAOYSA-O 434.343 5.779 30 20 IKED Cc1csc(Sc2ccc(C(=O)Nc3ccc(C#N)c(Cl)c3)cc2[N+](=O)[O-])n1 15580022 IJKDAWFBUPLFNM-UHFFFAOYSA-N 430.898 5.288 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccc(C(C)(C)C)cc2)c(C)[nH]1 23603637 LZKYUHPKMURDEI-UHFFFAOYSA-O 434.629 5.884 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1 25439703 NCECQHZNQVFLBS-UHFFFAOYSA-N 428.319 6.021 30 20 IKED N#Cc1c(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)sc2c1CCCC2 57650068 XJDJIQRNCWYZFA-UHFFFAOYSA-N 443.981 5.369 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Oc2ccc(Br)cc2)nc1 62905707 JRUZTGRXFIXZRF-UHFFFAOYSA-N 448.320 5.336 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(Nc2ccc(F)cc2)CC1 72096193 CXCJBQHZOXBVIQ-UHFFFAOYSA-N 431.536 5.565 30 20 IKED CC(C)(C)C(=O)/C=C1\SCC(=O)N1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 210440854 WXLRRKIBRWFHJE-IUXPMGMMSA-N 440.512 5.361 30 20 IKED C[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccc(NC(=O)NC2CC2)cc1 237456611 PLNHDCNCNKZHBH-LJQANCHMSA-N 440.547 5.272 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)C3(c4ccccc4Cl)CCOCC3)c2)c1 303273518 GVFXRQKXRLGGJW-UHFFFAOYSA-N 446.934 5.478 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3sccc3OC(F)F)cc2Cl)c1 303292713 XHHQWTFXSCNTDV-UHFFFAOYSA-N 434.851 5.706 30 20 IKED COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1cccc(C#N)c1C)CCO2 432284027 NOKIWXHQYUOKFG-DEOSSOPVSA-N 427.504 5.433 30 20 IKED COC(=O)C(C)(C)c1ccc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 438072920 MXRIBTWLXCYQKA-UHFFFAOYSA-N 429.476 5.445 30 20 IKED CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 438659336 YVKDLLSVTOJSBD-UHFFFAOYSA-N 427.430 5.064 30 20 IKED C=CCNC(=O)Nc1ccc(N[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 439552904 RQTRIKLQVIKDCJ-GFCCVEGCSA-N 431.380 6.205 30 20 IKED C=CCN(C(=O)c1cccc(-c2noc(C3CC3)n2)c1)c1nc(-c2ccccc2)cs1 443812726 FZLNKVJHLFQDJI-UHFFFAOYSA-N 428.517 5.570 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2csc(Cc3ccc(C)cc3)n2)c1C#N 445565978 WJZAFMUOVZBVCR-UHFFFAOYSA-N 445.573 5.074 30 20 IKED Cc1ccc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(OC[C@H]2CCOC2)c1 447054972 CKVAJYSHBAVTNL-OALUTQOASA-N 439.581 5.126 30 20 IKED Cc1sc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1-c1ccc(F)cc1 447159926 WPSSMBHPJBGRIJ-MRXNPFEDSA-N 425.435 6.098 30 20 IKED Cc1ccnc(Oc2cc(NS(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)ccc2C)c1 460823223 KSEWDIZENNJBIZ-UHFFFAOYSA-N 447.438 5.182 30 20 IKED Cc1nn(C)c(Sc2ccccc2)c1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 463728415 MIPAMEHLAGHFKS-UHFFFAOYSA-N 440.528 5.796 30 20 IKED C[C@@H](CC(F)(F)F)NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 467352248 FRMJUPDVWDPLRY-VIFPVBQESA-N 425.304 5.494 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCN3Cc3ccccc3)cc2Cl)c1 468866080 GUKXGARVCVJEDG-QHCPKHFHSA-N 431.923 5.004 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 470131617 HROKPCZVCXTXMI-OALUTQOASA-N 430.593 5.071 30 20 IKED CC[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Cl)s1 470548137 VOPVOOFERMULPP-MRXNPFEDSA-N 430.961 5.257 30 20 IKED COC(=O)c1nc([C@H]2CCCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)sc1C 471271696 CRDQYTFCXKQTCL-XJKSGUPXSA-N 444.582 5.001 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)n1 474436339 DPERHOYQAFDUQM-ZDUSSCGKSA-N 432.332 6.251 30 20 IKED CC(C)(C#N)c1ccc(C(=O)Nc2ccc(CN3C(=O)Cc4ccc(Cl)cc43)cc2)cc1 475323612 YOKZJFDOUYXCLU-UHFFFAOYSA-N 443.934 5.483 30 20 IKED C=C(C)[C@H](NC(=O)Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(F)c(F)c1 479927941 SQUGDBGXDQMKCJ-FQEVSTJZSA-N 427.476 5.718 30 20 IKED FC(F)c1ccnc(N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)n1 480110929 BVEZCFZZQUYGND-CYBMUJFWSA-N 427.295 5.030 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(F)ccc2C)nnc1-c1cccc(Cl)c1 481392991 OHSBAUZNJSESHE-AWEZNQCLSA-N 430.936 5.351 30 20 IKED CS(=O)(=O)c1cccc([C@H](N[C@H]2CCCCc3cc(C#N)ccc32)c2ccccc2)c1 481648683 AJUABALVLZLQIH-IZZNHLLZSA-N 430.573 5.108 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cnn(-c2ccccc2Cl)c1C(C)C 482115914 WLHPJNYSYZCFFT-UHFFFAOYSA-N 442.947 5.345 30 20 IKED Cc1nc(-c2ccc(C)c(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)c2)n[nH]1 482777143 AABAVEVINXDFBZ-UHFFFAOYSA-N 427.439 5.144 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3c(C)cc(C)cc3C)o2)c1 483299851 UURVNTIHVKHETP-UHFFFAOYSA-N 434.565 5.318 30 20 IKED Cc1c(C(=O)N[C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)sc2ccc(C#N)cc12 485120154 JAYZZNHSRLULLC-GAJHUEQPSA-N 434.561 5.137 30 20 IKED COc1cccc(OC)c1Oc1ccc(CNc2c(C#N)cnc3c(F)cc(F)cc23)cn1 488146880 OZUFLLVDIISGRA-UHFFFAOYSA-N 448.429 5.201 30 20 IKED O=C(N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 490809723 XOORVEWUDRHWLW-LBPRGKRZSA-N 447.301 5.298 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccc(Cn2ccnc2)cn1)c1ccc(C(F)(F)F)cc1 492237909 TZHZFNSDNRDGQF-LJQANCHMSA-N 429.446 5.174 30 20 IKED N#Cc1ccc(SCC(=O)N(Cc2ccc(F)cc2)C23CC4CC(CC(C4)C2)C3)nc1 495272060 JAOJFGKVBARYDU-UHFFFAOYSA-N 435.568 5.182 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N[C@H]3CCCC(F)(F)C3)s2)c(C(F)(F)F)c1 496364966 SKGNPWBKKHDNAL-ZDUSSCGKSA-N 444.429 5.324 30 20 IKED Cc1ccc(-c2csc3ncnc(SCC(=O)N[C@H](C)c4ccc(C#N)cc4)c23)cc1 498415365 WOLTYQMORUDBQZ-MRXNPFEDSA-N 444.585 5.508 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 499087965 LPGVNLZDNBVIBB-UHFFFAOYSA-N 440.572 5.551 30 20 IKED O=C(NCc1ccc(F)cc1F)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 499099307 WZVQDKXSRCYQOJ-UHFFFAOYSA-N 449.301 5.118 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1oc2ccccc2c1CSc1ncccn1 499630397 HYPGTODCPRHBGS-UHFFFAOYSA-N 440.528 5.215 30 20 IKED CCc1nc(C(=O)Nc2cc(C#N)ccc2OC(C)C)nn1-c1c(Cl)cccc1Cl 499781494 OBFJIALDIRAGIQ-UHFFFAOYSA-N 444.322 5.048 30 20 IKED C=CCN(C(=O)c1ccc(-c2ccc(Cl)cc2)s1)c1nc(C(=O)OCC)cs1 501949075 NDWANDIOJQBWFF-UHFFFAOYSA-N 432.954 5.535 30 20 IKED C[C@@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccc(C(F)(F)F)cc1 502401374 UXMFSOLJYVCARA-HNNXBMFYSA-N 449.448 5.073 30 20 IKED C=CCN(C(=O)CS[C@@H]1CCCOC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502796159 QXXYRYYXEBOUGD-CQSZACIVSA-N 443.421 5.548 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cnn(-c2ncccc2Cl)c1C(F)F 503084263 LBYXVTBDWWGNRC-UHFFFAOYSA-N 443.306 5.402 30 20 IKED Cc1cccc(-n2ncc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c2C(F)(F)F)c1 503871019 IULUZFUBNFSJHC-UHFFFAOYSA-N 436.437 5.001 30 20 IKED COc1cc([C@@H](C#N)NC(=O)c2cc(-c3ccccc3)ccc2Cl)cc(OC)c1OC 505473068 FUGBFHHFXRQHOW-HXUWFJFHSA-N 436.895 5.027 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H](COc3ccccc3)C2)cc1F 506645332 YKPOUMLQXGXEEC-SFHVURJKSA-N 431.467 5.422 30 20 IKED CC(C)c1c(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cnn1-c1ccc(Cl)cc1 506656779 ZJTUSRHAFUGKBS-UHFFFAOYSA-N 433.821 5.187 30 20 IKED CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)N2CCC(C)(C#N)CC2)ccc1Cl 506939606 JDGIMKHIMZAIGO-UHFFFAOYSA-N 438.959 5.160 30 20 IKED C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 507580058 MVZQIMHJWCSZKI-GBXCKJPGSA-N 441.600 5.416 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCc2ccc(Cl)s2)cc1 511315538 NXKLYPDGFOUVJJ-UHFFFAOYSA-N 425.941 5.411 30 20 IKED C[C@H](N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(C#N)cc1F 512631225 QAFSXVSYNKNINQ-NPMXOYFQSA-N 442.943 5.194 30 20 IKED C=CCN(C(=O)CCSc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514616859 VXNXCNHRJKBLGX-UHFFFAOYSA-N 425.535 5.420 30 20 IKED C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccc(Br)cc1 515218766 QZWZOVDYHYGMOQ-ZDUSSCGKSA-N 441.354 5.251 30 20 IKED COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(OCCCC#N)c2)cc1 515611783 VPUXKJLAFGTUPK-UHFFFAOYSA-N 447.447 5.331 30 20 IKED C=CCOc1ccccc1CNC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 517667157 TWZKGVHVUBRIMB-UHFFFAOYSA-N 432.467 5.253 30 20 IKED CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(Cl)cc1 519091162 NKZZBJVFZQLKKU-QFIPXVFZSA-N 433.895 5.210 30 20 IKED C=CCOc1c(Br)cc(CNCCc2nc(C(C)(C)C)cs2)cc1OC 520215182 NJXWREUGCIWIPN-UHFFFAOYSA-N 439.419 5.109 30 20 IKED CCC(CC)CN(CCC#N)C(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 520525936 CWYOPHJGRDYJBS-UHFFFAOYSA-N 448.361 5.117 30 20 IKED CC(C)c1cc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)nn1C(C)(C)C 520536330 BLFPDLGAPPYRDG-HSZRJFAPSA-N 430.552 5.335 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CSc2nc3ccccc3o2)cc1Cl 521473616 JRQOOFICRHVTMA-SFHVURJKSA-N 433.920 5.867 30 20 IKED C=C(C)CN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1 521573827 SQBZMDPONRTJBL-UHFFFAOYSA-N 445.972 5.170 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 522453696 MVAGPBAMKYYABI-UHFFFAOYSA-N 449.938 5.821 30 20 IKED C[C@H]1CN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H](c2ccc(F)cc2)O1 525088654 GAFFLGDPCOZXDZ-GTNSWQLSSA-N 435.339 5.466 30 20 IKED CN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 541658811 SKXBMNWNLLTPDZ-UPVQGACJSA-N 446.547 5.841 30 20 IKED C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCCC2(CCOCC2)C1 549665492 NNMBTZRJZKCGCF-UHFFFAOYSA-N 449.624 5.350 30 20 IKED N#Cc1ccccc1Cn1cccc1CNc1ccc(C(=O)N2CCCCC2)c(Cl)c1 551087175 DHRVHOKTCGIJBU-UHFFFAOYSA-N 432.955 5.300 30 20 IKED CCN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)Cc1ccccc1Br 553026314 JYZBGDJHAKTVGF-INIZCTEOSA-N 446.414 5.161 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(-c4csc(C(F)(F)F)n4)cc3)CC2)c1 557044057 IXFHXMZLACZRPM-UHFFFAOYSA-N 431.414 5.510 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(Oc2cccnc2)cc1 557992711 XILYMOVNSMIXNT-GOSISDBHSA-N 436.471 5.424 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3cc(Br)cc4cccnc34)cc2)ccn1 573145442 FCZFXDYDLIQUFE-UHFFFAOYSA-N 445.276 5.309 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](c2ccccc2OC)C1 573745163 JPPRAGATDOBSKL-OALUTQOASA-N 436.531 5.136 30 20 IKED Cc1cc(C(=O)N2CCCC2)ccc1NCc1cccc(OCc2cccc(C#N)c2)c1 576416715 HIFYRNVMNSINLO-UHFFFAOYSA-N 425.532 5.294 30 20 IKED COc1ccc(C#N)cc1NC(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1 588904301 ANXXFQFFWKCNFK-UHFFFAOYSA-N 446.359 5.913 30 20 IKED CC(=O)c1ccc(NC(=O)[C@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 594785831 WNGITJLQEBTHQD-ZDUSSCGKSA-N 435.471 5.353 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603673397 QEOZKJHFGDPJBK-JOCHJYFZSA-N 444.922 5.156 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1OC 603689843 AZLLDYZLHGMKOZ-OAQYLSRUSA-N 444.491 5.132 30 20 IKED Cc1nc2c(cc1C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)c(C)nn2C 603765909 CVKXLVRSAKNDGX-NRFANRHFSA-N 429.911 5.146 30 20 IKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(SCc2ccccc2)cc1 603963472 MXBGISRWAHAYST-UHFFFAOYSA-N 429.589 5.055 30 20 IKED Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604003510 CZOKRNMZUZXGSJ-UHFFFAOYSA-N 444.579 5.372 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCCc3cn4ccccc4n3)cc2Cl)cc1 604090402 XWHVUSJRXAGGFQ-UHFFFAOYSA-N 431.883 5.016 30 20 IKED CCCN(Cc1ccccc1F)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 604500713 YRLFAJWVNPPIOK-UHFFFAOYSA-N 430.483 5.394 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 609060857 GBFFPALVOKBFTF-AZZUFQGZSA-N 430.548 5.106 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1 609297879 PHLQBNAAGYSXAR-OAQYLSRUSA-N 432.451 5.300 30 20 IKED Cc1ccccc1CN(C)C(=O)[C@@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 609387389 ZSAUQTIKXWSQBJ-MRXNPFEDSA-N 435.515 5.479 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1cccc(N2CCCC2)c1 610673904 XCEKIRCOIPBXQB-SFHVURJKSA-N 427.508 5.228 30 20 IKED CO[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CC1 611944477 SKCUYYYGSITFJD-GOSISDBHSA-N 433.430 5.402 30 20 IKED CC(C)S(=O)(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 613319265 BKKAFJZQHCEHNP-SFHVURJKSA-N 444.965 5.136 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 615655974 WWWUSBRRSIYAIN-HXUWFJFHSA-N 443.547 5.406 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C)n(CC(F)(F)F)c3C)n2)cc1 619756440 IQUQKVASISTMMU-QGZVFWFLSA-N 433.455 5.289 30 20 IKED CCN(C(=O)c1cc(NC(=O)NCc2ccc(C#N)c(Cl)c2)ccc1Cl)C(C)C 619801818 ASNDYEPIKGMHHY-UHFFFAOYSA-N 433.339 5.057 30 20 IKED N#C[C@@H](C(=O)c1cc2cc(Br)ccc2o1)c1nc2ccccc2n1C(F)F 642282497 XGHCQDSIHPLIPU-LBPRGKRZSA-N 430.208 5.430 30 20 IKED C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 669815379 LYPDIRAQJXSRPM-ZWKOTPCHSA-N 447.514 5.268 30 20 IKED C=CCn1c(COc2ccccc2OC)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 685532719 RTOUTNQOYZPOPY-GOSISDBHSA-N 447.564 5.003 30 20 IKED COc1cc(OC)cc(Oc2ccc(/C=C/C(=O)c3ccc(OC)c(NC(C)=O)c3)cc2)c1 726427496 MVAZCDYBHDVHHS-YRNVUSSQSA-N 447.487 5.359 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C)s2)[n+]2ccc(C(CC)CC)cc2)c1 726573001 UVDDVZDNNGPXEU-UHFFFAOYSA-O 447.649 6.552 30 20 IKED CCc1ccc(OCc2nn(CN(C)[C@H](C)CC#N)c(=S)n2[C@H](C)c2ccccc2)cc1 728902466 PULIKYQNQRNABG-WOJBJXKFSA-N 449.624 5.356 30 20 IKED COc1ccccc1C[C@H](C)CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 730686978 KRLJWEBZTZWRNK-UGKGYDQZSA-N 442.515 5.404 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)COc1ccccc1OCc1ccccc1 730917791 SACRVQHIBSNEOQ-OAQYLSRUSA-N 438.483 5.026 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1[nH]c2ccccc2c1Cl 731069612 ODQDRDIHXVFUEE-CYBMUJFWSA-N 427.913 5.011 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 731079894 ZHYNICJWIZNIMW-OLMNPRSZSA-N 428.941 5.020 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)ccc1OC 733657876 PEFBSHZLQYIUAP-RDTXWAMCSA-N 448.350 5.170 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)c1 733772023 WWRQJDWMTNSNAL-SFHVURJKSA-N 425.941 5.383 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(OCc3ccccc3F)cc2)c1 733844879 XFJOBORYYINZFT-OAQYLSRUSA-N 433.483 5.407 30 20 IKED Cc1oc(-c2ccccc2F)nc1C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 739153831 FMZFAUXIJMFQAR-HNNXBMFYSA-N 432.238 5.057 30 20 IKED C[C@H]1CN(c2ccccc2NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C[C@@H](C)O1 740441856 ZIBQWABBIJUIIL-HDICACEKSA-N 446.576 5.222 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(NC(=O)CC(C)C)ccc1Cl 741557060 ZZBXIBKQRSVXEU-UHFFFAOYSA-N 434.927 5.074 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1 743157179 UXKMLXOUKLVPMP-UHFFFAOYSA-N 439.487 5.009 30 20 IKED COc1ccc(Cl)cc1NCCC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 744061770 OHHDBLJOPTYCRN-QGZVFWFLSA-N 436.924 5.022 30 20 IKED Cc1ccc(-c2noc([C@H](C)ON=Cc3c(C)nn(Cc4ccccc4)c3C)n2)cc1F 748099993 AHOFEBSDUFUQRU-SFHVURJKSA-N 433.487 5.157 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cn1nc(-c2ccccc2F)n(C2CC2)c1=S 751934528 RKXVHSRYXMDGGC-RBBKRZOGSA-N 433.556 5.284 30 20 IKED N#C[C@H](C(=O)CC(Cc1ccccc1)Cc1ccccc1)c1nc(-c2ccncc2)cs1 753397589 OJHCTDYLWJTTKX-XMMPIXPASA-N 437.568 5.873 30 20 IKED Cc1sc(C(=O)OCC(=O)Nc2ccccc2SCC#N)cc1-c1ccc(F)cc1 756539638 KOBMQRYQNYZDFA-UHFFFAOYSA-N 440.521 5.274 30 20 IKED CN(c1ccc(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc1F)C1CCCCC1 761219175 QFZHCHNTIBFNOX-DEOSSOPVSA-N 436.531 5.072 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN2CCC[C@@H](c3nc4ccccc4s3)C2)c1=S 764858028 VGPNGDKVIZNRNH-QGZVFWFLSA-N 448.621 5.109 30 20 IKED N#C[C@@H](C(=O)CCc1cc2ccccc2nc1O)c1nc(-c2ccc(Cl)cc2)cs1 767431869 JXSCFKACZWOCQW-SFHVURJKSA-N 433.920 5.526 30 20 IKED O=C(/C=C/c1ccccc1OCc1cccnc1)c1ccc(N2CCOCC2)cc1Cl 768842838 XPPWOUQCTFFJIJ-JXMROGBWSA-N 434.923 5.047 30 20 IKED COc1cc(/C=C\C(=O)Nc2ccc(C#N)cc2Cl)ccc1OCc1c(C)noc1C 769732016 XFZSPQPBCNHKQR-TWGQIWQCSA-N 437.883 5.056 30 20 IKED C[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1cccc(OCc2ccccc2)c1 769863768 IDWITCIPRBVRMU-YADARESESA-N 448.526 5.153 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1sc(C(C)(C)c2ccccc2)nc1C 770283528 UXIWZERFPOTPQC-UHFFFAOYSA-N 440.572 5.526 30 20 IKED N#CCc1ccccc1CC(=O)N[C@H](c1cccc(F)c1)c1cccc(Br)c1 777014377 GKGOCPATZWJFRX-QHCPKHFHSA-N 437.312 5.103 30 20 IKED C[C@H](NC(=O)CC(C)(C)C)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 778607502 VWDAXULTAYNCQS-FZMZJTMJSA-N 438.380 5.234 30 20 IKED COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)Nc2ccccc2O[C@H](C)C#N)cc1 780669328 BYMQKGRKGHGPOZ-UZUQRXQVSA-N 433.483 5.231 30 20 IKED N#C[C@H](COC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)Cc1ccccc1 786962639 ZKVODBCGMYXXAE-MRXNPFEDSA-N 444.318 5.292 30 20 IKED CCCOc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)N[C@@H](CC)c3ccccc3)cs2)cc1 787046210 PQDHSWTXVCCYHB-SFTDATJTSA-N 447.560 5.189 30 20 IKED N#CCCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccsc1 790758587 OENNNWJHFHAGKP-HXUWFJFHSA-N 448.573 5.165 30 20 IKED CCCC[C@H](ON=C(C)C)C(=O)N1CCC(c2nc(-c3ccccc3OC)cs2)CC1 791947516 NDGFKKZDDQBLSX-QFIPXVFZSA-N 443.613 5.496 30 20 IKED COc1ccc(C(=O)C[C@H](C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 796809446 AJBVGLHVWYMSSH-LRDDRELGSA-N 446.450 5.409 30 20 IKED CC(C)C(=O)c1ccc([C@@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 802040946 VFLPWPRIEALXDB-AUUYWEPGSA-N 444.503 5.291 30 20 IKED COc1cccc(-c2nn(C(C)(C)C)cc2/C=C2/C[C@@H](C(=O)O)c3ccccc3C2=O)c1 806559334 AGTKIITXIXMCEV-TWMGVTGTSA-N 430.504 5.152 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)cc1C#N 808869339 YKCFURGGUCUSAR-LBPRGKRZSA-N 436.390 5.100 30 20 IKED N#C[C@@H]1C(CN2CCCCC[C@H]2Cc2ccccc2Cl)=CC(=O)n2c1nc1ccccc12 815151043 JOCJFUZNGMMQNU-LEWJYISDSA-N 444.966 5.364 30 20 IKED Cc1cccc(C(=O)N2C[C@H](c3ccc([N+](=O)[O-])cc3)SC2=Nc2ccccc2C)n1 892305492 YVRIJYOBUONMJY-OAQYLSRUSA-N 432.505 5.225 30 20 IKED N#Cc1ccnc(-c2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)c1 904670794 RLHVPZGTOGMOAM-UHFFFAOYSA-N 443.772 5.530 30 20 IKED CCOc1cc(C=Nn2c(S)nnc2-c2cccs2)ccc1OCc1ccccc1 916313135 BRZYMTTUTRVMIH-UHFFFAOYSA-N 436.562 5.155 30 20 IKED Cc1ccc(Oc2ccc(OCC(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)cc2)cc1 916908777 ILQJVNDORNHRJY-FQEVSTJZSA-N 434.879 5.167 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3ccccc3n2Cc2ccccc2F)cc1 916911924 DGJSYIHUAYXPET-QFIPXVFZSA-N 439.490 5.352 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(COc2ccccc2)cc1 916928006 RNROJPOIZPHMFU-LJQANCHMSA-N 439.298 5.534 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(NC(=O)c3ccco3)c2)cc1 916949572 PFQRBVIZFRUNIH-HRAATJIYSA-N 429.476 5.007 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4ccc(Cl)cc4)n3)n2)cc1 916972572 OHBLEIYFCFRFFN-LJQANCHMSA-N 449.988 6.314 30 20 IKED COc1ccc(OC)c(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 916997316 VFTGSHNVDGZYQS-INIZCTEOSA-N 447.343 5.553 30 20 IKED COc1ccc(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2ccccc12 917737341 AEWGDWAEXGJKBB-HSZRJFAPSA-N 428.513 5.305 30 20 IKED COc1ccccc1-c1cc(C(=O)N2CCSC2=Nc2cccc(Cl)c2C)no1 918145056 CNVNTLYABZIXPJ-UHFFFAOYSA-N 427.913 5.189 30 20 IKED FC(F)(F)c1cc(Cl)c(=S)n(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 918734376 IBNIOGTYYFWSAC-HTQZYQBOSA-N 446.766 5.910 30 20 IKED N#C[C@@H](C(=O)CCc1nc(-c2cccs2)no1)c1nc(-c2c(F)cccc2F)cs1 920803932 GTKGMEJBVFUJNX-NSHDSACASA-N 442.472 5.009 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc(C)cnc3Cl)cc2)CCC1 1787568439 WBHRBFFEUUCRKF-UHFFFAOYSA-N 433.886 5.003 30 20 IKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)CCC4CCCC4)cc3)CCC2)c1 1787618618 UFIMJYMRVOYHIX-UHFFFAOYSA-N 445.563 5.285 30 20 IKED Cc1cnc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)s1 1792122135 CDWVKIKIRRYNTA-INIZCTEOSA-N 444.560 5.140 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2Cl)[C@@H]1c1cccnc1 1811699991 KYVOWPCINUAVCY-KNQAVFIVSA-N 439.987 5.047 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(F)cccc2Cl)[nH]n1 1814829306 DLVBABWOEZPTFZ-IBGZPJMESA-N 444.938 5.277 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)cc(F)c2F)[nH]n1 1819308763 ATRUJSMQAZIDHM-OXQOHEQNSA-N 442.510 5.071 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(C)C)no2)CC1 1829803420 ULWGFIKEKFISBL-OAQYLSRUSA-N 429.605 5.024 30 20 IKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1830978804 WXPPDSUBAXGCFB-QHCPKHFHSA-N 445.563 5.237 30 20 IKED CCC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)CCC1 1832632690 UPIZNRRJSGNIJG-GBXCKJPGSA-N 435.612 5.127 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2cccc(C)c2C)cc1 10168034 RLDBTHNARSADNJ-UHFFFAOYSA-O 431.625 6.211 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2ccccc2CC)cc1 10174239 XGTKQUQPTDWOJX-UHFFFAOYSA-O 434.541 5.058 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)Cc3csc(-c4ccccc4)n3)s2)cc1 14621326 KUDNYMCWGRMTKB-UHFFFAOYSA-N 449.586 5.007 30 20 IKED C[C@H](OC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)C(=O)N(CCC#N)c1ccccc1 21679319 IBYRCXPGINBNNS-VJWQYWRGSA-N 448.519 5.306 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(SC)c2)nc2sc(C)c(C)c2c1=O 23404928 LONDPSGESKMMQM-CQSZACIVSA-N 445.635 5.102 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1-c1ccc(OC)cc1 23998092 VGNLNKHQETZTFV-OAHLLOKOSA-N 442.972 5.221 30 20 IKED C[C@@H](Sc1nccn1-c1cccc(Cl)c1)C(=O)N(CCC#N)c1ccc(F)cc1 25410873 JWUMUVHCMWYUDG-OAHLLOKOSA-N 428.920 5.092 30 20 IKED C[C@@H](OC(=O)/C=C/c1ccccc1C#N)C(=O)N1c2ccccc2Sc2ccccc21 28512214 KKIZKUYYASJYRC-IAOULYHDSA-N 426.497 5.333 30 20 IKED CN(CCC#N)c1ccc(CNCc2ccccc2-c2ccc(CN3CCCC3)cc2)cc1 30669662 NDGOZVALFUCGHT-UHFFFAOYSA-N 438.619 5.589 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1SC(F)F 30969571 HNSKXYXMABMRHB-UHFFFAOYSA-N 446.548 5.100 30 20 IKED C=CCn1c(SCc2csc(-c3ccc(OC)cc3OC)n2)nnc1-c1ccco1 31849581 ATWWSAFDESKKHV-UHFFFAOYSA-N 440.550 5.157 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2coc3ccc4ccccc4c23)cc1 59799140 QYQUGCZMQMLJJL-UHFFFAOYSA-N 446.506 6.412 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)n2)cc1 60915471 RUPJLVZWCJIEFO-UHFFFAOYSA-N 430.514 5.248 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3occc3CSc3ccccc3)s2)cc1 97076831 OOGAZFPCJCGOIS-UHFFFAOYSA-N 431.542 5.743 30 20 IKED Cc1cc(C)n(-c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cn2)n1 97257160 XBOONUOBKRUTFD-UHFFFAOYSA-N 439.544 5.300 30 20 IKED COc1ccc(OCc2nnc(SCCCCC#N)n2-c2ccc(C)c(Cl)c2)cc1 195534200 VUZLYCQPVXUSRC-UHFFFAOYSA-N 442.972 5.603 30 20 IKED CS(=O)(=O)c1cccc([C@@H](Nc2ccc(C#N)c(Cl)c2)c2ccc(F)c(F)c2)c1 301468624 NLPFDGXCBROCPY-OAQYLSRUSA-N 432.879 5.095 30 20 IKED Cc1ccc(CN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)Cc2ccco2)s1 303375741 LFXAVFYNIIRSRX-GOSISDBHSA-N 439.606 5.685 30 20 IKED CCCN(C(=O)c1cccc(COc2ccccc2C#N)c1)[C@H](C)C(=O)Nc1ccccc1 303557566 KRHHJXNUXRNQLC-HXUWFJFHSA-N 441.531 5.017 30 20 IKED N#CCCCOc1cccc(NC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)c1 430662223 CHIRHANGQAIAEH-UHFFFAOYSA-N 439.471 5.255 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 430708364 JGARDJSQGKJNMP-LBPRGKRZSA-N 432.427 5.259 30 20 IKED C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1noc(Cc2ccccc2)n1 431187110 MPLQCPFMALRRFN-KRWDZBQOSA-N 439.475 5.207 30 20 IKED CC(C)c1ccc([C@H](NC(=O)CCCC(=O)Nc2ccccc2C#N)c2cccs2)cc1 432597312 XYGQJLUIBUKVPF-SANMLTNESA-N 445.588 5.758 30 20 IKED C[C@@H]1CCC[C@H](OCc2cccc(NCc3cn(CCC#N)nc3-c3ccncc3)c2)C1 433338953 JHRUYODRSWWVBR-NLFFAJNJSA-N 429.568 5.566 30 20 IKED C[C@H](Nc1cccc(OCc2cccc(F)c2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 439567144 VZMCICMJPCWALS-SFHVURJKSA-N 435.474 5.291 30 20 IKED CCCc1c(NC(=O)N2CC=C(c3c(F)cccc3F)CC2)cnn1-c1cccc(C#N)c1 439674898 RKCGJKDBCQDZBH-UHFFFAOYSA-N 447.489 5.296 30 20 IKED CCCc1c(NC(=O)c2ccc(C(F)(F)F)cc2Cl)cnn1-c1cccc(C#N)c1 440102445 VALDFGLFXYQBAX-UHFFFAOYSA-N 432.833 5.621 30 20 IKED CS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 440769396 GUEUCQAJIKWRCM-UHFFFAOYSA-N 441.896 5.051 30 20 IKED C[C@@H](N(Cc1ccccc1)C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)C(C)(C)C 441406324 XSBCMWSYVXLFDB-QGZVFWFLSA-N 446.576 5.084 30 20 IKED N#CC1(CCCNc2ccc(Oc3ccc(F)cc3)c(Br)c2)CCOCC1 442117404 AHWLAZOVTDHINA-UHFFFAOYSA-N 433.321 5.893 30 20 IKED N#CC(CCN1CCC(O)(Cc2cccc(F)c2)CC1)(c1ccccc1)c1ccccc1 444675511 NORVDRAPKZZBHK-UHFFFAOYSA-N 428.551 5.095 30 20 IKED FC(F)(F)COc1ccc(CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cn1 444733290 MMVZSQCYYIGTDB-CQSZACIVSA-N 446.313 5.825 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccccc2CC(F)(F)F)c1 460459741 FOTMHRAZHQKLKC-UHFFFAOYSA-N 430.813 6.361 30 20 IKED COCCn1c(SCCC(C)(C)C#N)nc2scc(-c3ccccc3Cl)c2c1=O 463033220 KOHNFETYKPLZHC-UHFFFAOYSA-N 448.013 5.457 30 20 IKED Cc1ccc(-c2cccc(CNC(=O)C(=O)Nc3ccccc3S[C@@H](C)CC#N)c2)cc1 468601632 NAYKDBXWIHHEMI-IBGZPJMESA-N 443.572 5.311 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 475583082 VPQDMNKKDGCNNI-UPVQGACJSA-N 442.003 5.385 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(C(=O)C[C@@H](CC#N)c3ccccc3)C2)n1 477090215 OJYPKHPQBPOLFX-RTWAWAEBSA-N 445.588 5.612 30 20 IKED C=CCOc1ccccc1CNC(=O)N(CCC)Cc1nnc(-c2ccccc2Cl)o1 477543383 OXPKYWAVPPIMAG-UHFFFAOYSA-N 440.931 5.077 30 20 IKED C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(F)c(F)c1 477665486 KSAGQRADCVOOAX-MRXNPFEDSA-N 432.776 5.009 30 20 IKED COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 487417550 FMWLQSUHFJOGAR-UHFFFAOYSA-N 449.488 5.250 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccccc3COC3CCOCC3)c2)cc1 487610142 RRJYHRYTIWZVIY-UHFFFAOYSA-N 428.488 5.298 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3ccccc3C)no2)nnc1-c1cccc(OC)c1 488913105 SGFKSEJJUJPHTD-MRXNPFEDSA-N 433.537 5.351 30 20 IKED COc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1ccc(OCc2ccccc2)c(OC)c1 495427025 PEIDIKXFCYWBMZ-KRWDZBQOSA-N 431.492 5.037 30 20 IKED COc1ccc(CN2CCc3sc(-c4csc(C)n4)cc3C2)cc1OCCCC#N 500783099 SGWQJAAPJYYTSR-UHFFFAOYSA-N 439.606 5.430 30 20 IKED CC(C)(C)n1ccnc1SCC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 503081911 ILTHTLVQEXBZAN-UHFFFAOYSA-N 434.565 5.014 30 20 IKED Cc1c(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cccc1C(=O)Nc1ccccc1 503472490 KQSRRNDYIGMUJT-UHFFFAOYSA-N 436.515 5.440 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(Oc4ccc(Cl)cn4)cc3)CC2)cc1 503497924 SXQKVWKVSGJTLG-UHFFFAOYSA-N 430.895 5.720 30 20 IKED Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 503629548 SYZPKMDVBFTLAZ-UHFFFAOYSA-N 442.563 5.060 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)cc1 503976849 MYPACFUMRNTKTN-VWLOTQADSA-N 425.532 5.724 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 504105021 SNBJSFLHXGAFMZ-XUTJKUGGSA-N 434.506 5.517 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Nc3ccc(Br)cc3Cl)n2)cc1 505411700 ZEEGLKOVBCNCAG-AWEZNQCLSA-N 446.757 5.780 30 20 IKED CC(=O)c1cccc(NC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 505448763 FJIIFAXAERAPAX-MRXNPFEDSA-N 430.316 5.565 30 20 IKED N#C[C@@H](C(=O)c1cccc(C(=O)Nc2ccccc2)c1)c1nc2cc(Cl)ccc2s1 513662450 VVXQBTVMLOMJTQ-SFHVURJKSA-N 431.904 5.692 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N(C)CCCCCc1cc(-c2ccccc2)no1 513863973 OPJOVRGATBVREI-UHFFFAOYSA-N 432.524 5.489 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCOc1ccc(F)c(Cl)c1 515284299 XHEXGLIEVAWHJY-UHFFFAOYSA-N 425.847 5.254 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)cc1 515284849 CLVULGVHKHAKPI-UHFFFAOYSA-N 429.570 5.631 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CCC(=O)CCC(=O)c3cccs3)cc2)c1 519509534 IGQTXAJXDCAKAB-UHFFFAOYSA-N 432.501 5.363 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c12 521797634 RILPYWGHOMWVAF-INIZCTEOSA-N 449.624 6.265 30 20 IKED CCN(Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 521840618 DHBZKRKEQUJGJR-UHFFFAOYSA-N 433.939 6.039 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1C(F)(F)F 522841165 MGAOLERYYDPLPO-UHFFFAOYSA-N 431.227 5.827 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](c2ncccc2C)C(C)C)cc1 523768307 NKGRPAHEVCZTBF-QHCPKHFHSA-N 430.508 5.581 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)Cc2ccc(C(F)(F)F)cc2)cc1 524152477 FLZXITREJRFACZ-QGZVFWFLSA-N 445.485 5.272 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c1 524470946 JODZHXOSKYZYMZ-UHFFFAOYSA-N 432.442 5.186 30 20 IKED CCCN(C(=O)C1CCN(c2oc(C)nc2C#N)CC1)[C@@H](C)c1ccc(Cl)c(Cl)c1 530285553 JSCDZCNHAJAPEC-AWEZNQCLSA-N 449.382 5.378 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)cc1 537926802 KDOWYVNOGBXBSU-NLFFAJNJSA-N 443.503 5.258 30 20 IKED CC(C)(C)c1cc(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)c(C#N)s1 539172756 KGBQTJWHMFKVJO-UHFFFAOYSA-N 443.623 5.303 30 20 IKED Cc1noc(C2CCC(NC(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CC2)n1 543008724 DLXYIKQYWVYVIF-ULKQQTICSA-N 429.524 5.003 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1 543491526 SGWOCZHHPQPHRA-RDGATRHJSA-N 430.479 5.448 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc(Cl)ccc2Sc2ccccc2)n1 544818360 VXRHOXJWZAFBHA-MRXNPFEDSA-N 442.949 5.614 30 20 IKED Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)[C@@H](C#N)c3ccncn3)cc12 545446848 WPXZOIVYTOMYFR-ZDUSSCGKSA-N 442.331 5.041 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 549120854 QOBQAVGKUZRRTL-CABCVRRESA-N 426.376 5.583 30 20 IKED N#CCC[C@H](C#N)CNC[C@@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 554863387 RDVGTNROMGXXBN-QRWLVFNGSA-N 433.408 5.187 30 20 IKED CC1(C(=O)N2CCC(c3ccsc3)CC2)CCN(c2ccc(Cl)cc2C#N)CC1 557618865 QVQYEABLIXNYQG-UHFFFAOYSA-N 428.001 5.286 30 20 IKED N#CCCn1cc(C(=O)Nc2cccc(-c3ccccc3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 557950221 DPSQUTRGPRHHLM-UHFFFAOYSA-N 437.459 5.291 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(N3CCC(O)CC3)cc2)cc1Cl 558682895 SOANODSYQOKFDC-DEOSSOPVSA-N 445.950 5.209 30 20 IKED COc1cc(-c2noc(-c3cnc(C(F)(F)F)c(C#N)c3)n2)cc(Cl)c1OC(C)C 559928337 LZNLBZMUPZLWSJ-UHFFFAOYSA-N 438.793 5.138 30 20 IKED CC[C@@H](c1cccc(OC)c1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 564165392 LPBDTOAIOBJLAQ-SANMLTNESA-N 443.547 5.955 30 20 IKED C[C@@H](Oc1ccccc1NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 573387917 LWSUGSYATZAYKB-HXUWFJFHSA-N 426.520 5.311 30 20 IKED COCC[C@](C)(C#N)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(C)cc1)CC2 578512506 NZFOALZTLVQODO-VEROMBOBSA-N 425.532 5.079 30 20 IKED N#Cc1cc(Oc2ccc(NCC(=O)Nc3ccccc3Cc3ccccc3)cc2)ccn1 582213651 ULYQPJTWQYCGPN-UHFFFAOYSA-N 434.499 5.387 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)Nc1ccccc1CC#N 584861375 QHBGOAVUWPXBJA-UHFFFAOYSA-N 430.533 5.343 30 20 IKED C=C(C)COc1cccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)c1 589552938 OXDMZCBRXFHIPU-UHFFFAOYSA-N 426.925 5.861 30 20 IKED CC[C@@H](C)c1ccccc1OCC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 590613317 KCORPUIXLUWMSA-OAHLLOKOSA-N 438.578 5.233 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2nnc(-c3ccccc3)o2)cc1Cl 603673303 BLUULDNNTSCZCH-NRFANRHFSA-N 442.906 5.617 30 20 IKED C[S@](=O)Cc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 603838759 JSZIKGOKIDPBPK-HJWYETAXSA-N 449.384 5.485 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N(CCc2ccccc2)Cc2cccnc2)c1 604369114 PPLUDJUWTHSISA-UHFFFAOYSA-N 447.538 5.417 30 20 IKED CCn1c(SCc2c(C#N)c(C)nn2-c2ccccc2)nnc1-c1cccc(Cl)c1 604537109 JIARLJVGHNBYCC-UHFFFAOYSA-N 434.956 5.277 30 20 IKED CC[C@@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)ccc1F 607233085 WZYLWALABIAORL-GOMXZESMSA-N 432.355 5.625 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC(c4c[nH]c5ccccc45)CC3)o2)cc1 609069391 NQXIBHLIFSOLCD-UHFFFAOYSA-N 425.488 5.231 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(F)c(Br)c1 609398638 HFTVVAKHYSHDFK-CHWSQXEVSA-N 436.350 5.723 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 609401861 CUKAULXUGSOCBH-MRXNPFEDSA-N 436.512 5.586 30 20 IKED CCc1nc([C@@H]2CCCCN2C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)no1 609974943 HPPCMIWCWFHVNJ-IBGZPJMESA-N 436.899 5.317 30 20 IKED N#CCN(C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C1CCCC1 609976888 CMJJBYKOFSBGEE-SDXDJHTJSA-N 446.532 5.430 30 20 IKED Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 610016680 LNQHVPPBCCCKIJ-MRXNPFEDSA-N 437.594 5.105 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3OC(F)(F)F)cn2)cc1 610153122 PVRYHQFFOSZENK-RBUKOAKNSA-N 439.393 5.386 30 20 IKED N#CCCn1cc(/C=C/c2nc(Cc3nc4cc(F)ccc4s3)no2)c2ccccc21 612931977 CNBODDZBXUWQGK-RMKNXTFCSA-N 429.480 5.448 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccc(F)cc4F)c3C)n2)cc1 613318193 PBQRLIDOVPYONG-KRWDZBQOSA-N 434.471 5.381 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 615793694 XTGCDVITEPLQDT-UHFFFAOYSA-N 435.474 5.115 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1cccc(C)c1 617939776 WYWNIEUEEKYHPR-KRWDZBQOSA-N 441.000 5.829 30 20 IKED N#C[C@H](C(=O)c1ccnc(Oc2ccccc2)c1)c1nc2cc(C(F)(F)F)ccc2s1 623759110 DZWDBEORSRUVTF-MRXNPFEDSA-N 439.418 5.992 30 20 IKED C=CCn1c(SCC(=O)N(CC)CC(C)C)nnc1-c1ccc(Cl)cc1Cl 642066779 CTNOHKWEUIBECX-UHFFFAOYSA-N 427.401 5.035 30 20 IKED FC(F)Oc1ccc(CN2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1Br 678838117 BZEYYADWAPYRGK-DTORHVGOSA-N 442.144 5.223 30 20 IKED COc1cc(C=Nn2cnc3ccccc32)ccc1OCc1cccc(C(F)(F)F)c1 725849801 SOJAGKLLSBRAIK-UHFFFAOYSA-N 425.410 5.525 30 20 IKED COc1ccc(-c2cc(C(=O)Nc3cc(C#N)ccc3OC(F)F)c3ccccc3n2)cc1 728013905 HCEAVUDZGCLXQU-UHFFFAOYSA-N 445.425 5.636 30 20 IKED Cc1cnc(O)n1-c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 729319702 NQBBJJKTIYVBER-JOCHJYFZSA-N 442.906 5.448 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)CCc1nc2cc(Cl)ccc2s1 730608810 NCSYYPCOTXSZNP-CQSZACIVSA-N 448.997 5.090 30 20 IKED N#C[C@@H](C(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)c1nc2ccccc2s1 730685399 HSBRMKCZASAHAI-KSFYIVLOSA-N 436.895 6.085 30 20 IKED Cc1ccc(N(Cc2cccs2)C(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1 732116289 HKGJGPFYTLMIRJ-UHFFFAOYSA-N 431.561 5.317 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)c1C#N 733281096 KPEBYQDVSWEEGD-UHFFFAOYSA-N 437.912 5.041 30 20 IKED COC(=O)Nc1cccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 733630245 RAXAWIOHKKWPOV-UHFFFAOYSA-N 434.427 5.099 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)cc1 735742932 LGUFEWQTAXKMML-FCHUYYIVSA-N 440.330 5.504 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@H]3c3ccccc3OC(F)(F)F)n2)cc1 741431695 STUWWUBOCTVQGT-OKZBNKHCSA-N 442.462 5.997 30 20 IKED CC(C)c1nn(C)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc12 744026120 UUFOEGAWUIBNMX-AWEZNQCLSA-N 448.520 5.034 30 20 IKED Cc1cccc2c(CCC(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c[nH]c12 744027122 IRYDDUUERKEMHZ-SFHVURJKSA-N 427.476 5.071 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1 744871951 FDWUOZNWEPCAJX-UHFFFAOYSA-N 442.909 5.112 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(C=NOCc2ccc(C(F)(F)F)cc2)cs1 746575526 DTRVLSUEOJGROC-UHFFFAOYSA-N 437.418 5.536 30 20 IKED N#CCn1cc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2Cl)CC3)cn1 747433606 LEECQOXCMLOBFZ-LGMDPLHJSA-N 439.906 5.347 30 20 IKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 747976079 ODXCXUIDIYBLBU-WYMJOSIYSA-N 439.559 5.974 30 20 IKED N#Cc1ccsc1C(=O)OCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 748098232 VYXDKXPXZCVHJA-UHFFFAOYSA-N 426.906 5.259 30 20 IKED Cc1ccc(N2CCOC2=O)cc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 748378878 OXCJZXVLMYODDO-UHFFFAOYSA-N 429.501 5.227 30 20 IKED C[C@@H](OC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc2c(c1)CC(=O)N2 748514104 ZZWCQQJPZCLGDT-MRXNPFEDSA-N 428.513 5.263 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN2CCSC[C@@H]2c2ccc(Cl)cc2)c1=S 765017077 YCVUXORBWDITQW-LJQANCHMSA-N 444.029 5.063 30 20 IKED CC(C)(C)OC(=O)N1CCc2c(NC(=O)c3cn(CCCC#N)c4ccccc34)cccc21 767949485 PUVGWFOEMQFGNK-UHFFFAOYSA-N 444.535 5.495 30 20 IKED Cc1cc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)ccc1NC(=O)OC(C)(C)C 772693505 MWRCMFBDQPINFQ-GOSISDBHSA-N 434.323 5.644 30 20 IKED CC(=O)N(c1ccccc1)c1nc(C=NNc2nc3cc(Cl)ccc3cc2C)cs1 778550541 CLFUPKXHBMZYKL-UHFFFAOYSA-N 435.940 5.784 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(C(C)=O)cc3)n2)cc1 783362195 QYHJPDGDHWXKDC-NRFANRHFSA-N 434.517 5.057 30 20 IKED CC[C@H](NC(=O)[C@H](C#N)C(=O)c1ccc(CSc2nc(C)cs2)cc1)c1ccccc1 787041605 PMWXZRGBTYLZFF-RTWAWAEBSA-N 449.601 5.334 30 20 IKED C[C@H](Oc1ccc(C(=O)[C@@H](C#N)C(=O)NCc2cccc(Cl)c2)cc1)c1ccccc1 788378611 JDJNWBIRHPCWTA-GAJHUEQPSA-N 432.907 5.119 30 20 IKED C=CC[C@]1(C(=O)Nc2cc(-c3nc(C)co3)ccc2C)CCCN1C(=O)OC(C)(C)C 792539650 TVZXFQALLDICQV-XMMPIXPASA-N 425.529 5.243 30 20 IKED COc1ccc(C(=O)C[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 796795464 BVPMAASIVQIVCU-KUHUBIRLSA-N 438.936 5.557 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(Oc2ccccc2)cn1 799602157 IRCFQRZATGIUSH-QFIPXVFZSA-N 449.466 5.627 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1ccccc1CC1CCN(C(=O)OC(C)(C)C)CC1 808330592 UEGUYDOJSBJBAP-UHFFFAOYSA-N 449.551 5.009 30 20 IKED O=C(Cc1cc(F)cc2c1OCOC2)O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F 809126525 QQQBPOCRMREDSQ-KRWDZBQOSA-N 438.295 5.100 30 20 IKED C[C@H](OC(=O)c1ccccc1Sc1ccccc1C#N)c1nc(-c2cccnc2)no1 817170177 BZVSTPCDVGMQDN-HNNXBMFYSA-N 428.473 5.072 30 20 IKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N(C2CC2)C1=O 838546291 GWRCRULNHHBISB-SFHVURJKSA-N 449.910 5.049 30 20 IKED Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)C2)cc1 915086958 YQFCCOIEMHCLKP-AZGAKELHSA-N 437.543 5.141 30 20 IKED N#C[C@@H]1C(CN(Cc2cccs2)Cc2cccs2)=CC(=O)n2c1nc1ccccc12 915216262 VOSBABJTSFIURO-LJQANCHMSA-N 430.558 5.049 30 20 IKED N#CCOc1ccc(C(=O)/C=C\c2ccc(/C=C/C(=O)c3ccc(OCC#N)cc3)cc2)cc1 916152004 INQOSALBSCRBMC-OPCYYNASSA-N 448.478 5.284 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccnc(Oc3ccccc3)c2)cc1 916403587 JRYIEFXVUXGYBL-RUZDIDTESA-N 434.499 5.851 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)[C@@H](C#N)c1nc2ccccc2s1 916846065 GKEUMROMMLDPCI-CQSZACIVSA-N 441.343 5.646 30 20 IKED N#C[C@H](C(=O)CSCc1cccc(Cl)c1)c1nc2cc(C(F)(F)F)ccc2s1 917044277 SDCDXCXKQGXVFC-CQSZACIVSA-N 440.899 6.078 30 20 IKED O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918736406 YQXMVOPEOVGVCQ-RNFRBKRXSA-N 444.681 5.834 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 919911471 NNKRJUQXFJFTIF-UHFFFAOYSA-N 446.595 5.155 30 20 IKED C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc2nc(O)oc2c1 1666030915 WZPRHVXBZFBPJX-MRXNPFEDSA-N 442.475 5.061 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc4sc(C)cc4[nH]3)CCC2)cc1 1786679233 RZXQHIZFTRMLNT-UHFFFAOYSA-N 439.606 5.205 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc[nH]4)cc3)CCC2)c1 1788193132 IABBVHYKYFTCFP-IBGZPJMESA-N 440.547 5.022 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4ccc(OC)cc4[nH]3)CCC2)cc1 1791727540 WEDMWYHSIMHJMU-UHFFFAOYSA-N 443.547 5.118 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C23CCC(CC2)CC3)[C@H]1c1cccnc1 1813558637 AAXNVMSFHQXEHI-GOKFZAQWSA-N 437.628 5.050 30 20 IKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2CCCCC2)[nH]n1 1819384342 JOPRBWMDDTUFSO-NRFANRHFSA-N 442.680 5.033 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](CC)c2ccccc2)CC1 1826316796 NEGBYYOZUASKQZ-FGZHOGPDSA-N 432.555 5.011 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC)cc2F)CC1 1830519702 AGAKXXHTQQSYBX-QHCPKHFHSA-N 444.591 5.060 30 20 IKED CCCCC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1831466045 LWXMFUBCCJPESB-BWKNWUBXSA-N 437.628 5.202 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2c(C)cccc2C)cc1 11153174 OVWISSPXXWRHHN-UHFFFAOYSA-O 434.541 5.112 30 20 IKED C=CCNc1nc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)cs1 17102871 CMDYZWWKOIZAPU-HNNXBMFYSA-N 439.562 5.076 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)NCc2ccc(OC)cc2)cc1 22692956 BLLWWBCUJBOBMR-UHFFFAOYSA-O 447.624 5.397 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)NCc2ccccc2)cc1 22730784 LZUNRUFVUVDPMJ-UHFFFAOYSA-O 431.625 5.779 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1coc(-c2cccc(F)c2)n1 26030351 WXTWXMBUPSTKEY-UHFFFAOYSA-N 440.475 5.269 30 20 IKED N#CCc1ccc(NC(=O)c2cccnc2SCc2cccc(Br)c2)cc1 31745401 JEPFKGIVHPPGTG-UHFFFAOYSA-N 438.350 5.455 30 20 IKED COc1cc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1SC 60245373 HQDGAHIOOJEJRS-ZRDIBKRKSA-N 437.948 6.219 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)NC3(c4ccc(F)cc4)CCC3)s2)cc1 63285597 MENPVJAGTYPCKU-UHFFFAOYSA-N 439.541 5.042 30 20 IKED CCN(c1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1)C(C)C 63849719 WPLZTKNWWJVROY-UHFFFAOYSA-N 437.594 5.189 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2cccc(Cl)c2C)c1 98069597 WDGLGCALZVVHBK-UHFFFAOYSA-O 430.380 5.949 30 20 IKED N#Cc1cnc2ccc(Cl)cc2c1N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 301392916 IRZGOEQLRFFMHD-UHFFFAOYSA-N 444.966 5.167 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)Sc1ccc(Br)cc1 303306721 PSVBWNPWYBABMM-KBPBESRZSA-N 435.412 5.820 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3C[C@@H]3c3c(F)cccc3Cl)s2)cc1 303849886 RNPAGXRDHKKKOS-UONOGXRCSA-N 444.944 5.237 30 20 IKED Cc1c(-c2nc(CC(=O)Nc3cccc(Cl)c3Cl)no2)sc2ccc(C#N)cc12 426441295 DWCRFQOMLOBSRJ-UHFFFAOYSA-N 443.315 5.619 30 20 IKED CCCc1c(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cnn1-c1ccccc1C 429673564 IPTMZVJTDIBFAQ-UHFFFAOYSA-N 443.551 5.080 30 20 IKED CC(C)[C@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccnc1 435099453 VMFOBUYXEKOZJP-VWLOTQADSA-N 428.536 5.288 30 20 IKED Cc1c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cnn1-c1ccccc1F 435963623 FLKNMDIPTVXKIQ-UHFFFAOYSA-N 442.519 5.736 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(CCc1ccccn1)Cc1ccncc1 436354743 WLVCWGCNJMWLOZ-LJQANCHMSA-N 431.565 5.005 30 20 IKED COC(=O)C(C)(C)c1ccc(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 438032562 DQUSMOVCKONTHV-UHFFFAOYSA-N 429.476 5.445 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 438628075 AOMRTFNHQLTJJI-UHFFFAOYSA-N 436.899 5.079 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccc(OC)c(NC(C)=O)c1)c1ccc(C(F)(F)F)cc1 442186175 DABVLTBWRASJJP-GOSISDBHSA-N 435.446 5.501 30 20 IKED Cc1cc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)ccc1C(F)(F)F 443922888 BKXLQLHXAAOHLY-UHFFFAOYSA-N 432.299 5.005 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(c2cccc3cnccc23)C[C@H]1C 446167656 JOPCIZSKBWBRMP-RTBURBONSA-N 445.592 5.372 30 20 IKED CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 460663592 LKQGYVAJOLTHKN-UHFFFAOYSA-N 441.531 5.263 30 20 IKED CCN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@H]1CCN([C@@H](C)c2ccccc2)C1 469204668 PFMHLGBFXVZZGQ-GMAHTHKFSA-N 428.580 5.243 30 20 IKED N#Cc1ccc(Oc2cccc(NCc3nnc(-c4ccccc4Br)o3)c2)cc1 471668193 PAULWYUPBWCDAI-UHFFFAOYSA-N 447.292 5.775 30 20 IKED C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 472696987 FJQSFYYHJKZTAC-ZJSXRUAMSA-N 439.559 5.817 30 20 IKED C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)CCC(=O)N(CCC#N)c1ccccc1 474896491 ZSJDUQXFXDTVIX-RBUKOAKNSA-N 425.960 5.017 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)c1csc2ccccc12 475967744 QNSWFAWFCLICGH-UHFFFAOYSA-N 439.537 5.372 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1nnn(-c2cccc(Br)c2)c1C 476149789 NOEIPXKTFLPRRD-UHFFFAOYSA-N 439.357 5.442 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)Nc1cc(C(F)(F)F)ccc1F 477559290 KOWKDWUUOCQRRM-MRVPVSSYSA-N 426.336 5.103 30 20 IKED Cc1oc(-c2ccccc2)nc1CSc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N 477789002 JXYOXECGTKMPGA-UHFFFAOYSA-N 441.516 5.044 30 20 IKED COc1ccc(COCc2cccc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)c2)cc1 481184463 CHSWKHRMXAKNPY-UHFFFAOYSA-N 430.504 5.080 30 20 IKED C[C@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 483319802 BXBLCQUEYPXLGX-QGZVFWFLSA-N 449.938 5.591 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3nc4c(cc3C#N)CCCC4)c12 484151413 GQPKGAVYTCHJFH-UHFFFAOYSA-N 430.556 5.016 30 20 IKED CC(C)(C)OC1CC(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 485781659 INKWGYPTFIUMJU-UHFFFAOYSA-N 426.944 5.713 30 20 IKED CC(=O)c1cc(NC(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F 486941997 YRQLFPMIENWBBU-UHFFFAOYSA-N 436.327 5.730 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(C)ccc2OC)nnc1-c1cccc(Cl)c1 489617944 CZIWVAQWSUGQMG-HNNXBMFYSA-N 442.972 5.221 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N[C@H](C)c3ccc(CC)cc3)o2)cc1 489787502 FSHFNESUSUXBOD-IAGOWNOFSA-N 437.565 5.222 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2cccc(Br)c2)cc1)c1nc2ccccc2o1 492122126 JNOXECKIEBJBLY-GOSISDBHSA-N 433.261 5.873 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CCc2c(Br)cccc21 492727916 LPICCZSRIWGFNK-HXUWFJFHSA-N 431.378 5.002 30 20 IKED N#CC1(CCCN(Cc2ccccc2)Cc2ccc(Br)cc2)CCOCC1 499601308 VLIZAFJZWMBQEP-UHFFFAOYSA-N 427.386 5.552 30 20 IKED CC(C)(C)Oc1cccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n1 504866292 XEROALLVOIJDMK-UHFFFAOYSA-N 446.526 5.182 30 20 IKED CCCn1nccc1C1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 505162392 NPQURPLIYRKUBS-UHFFFAOYSA-N 444.604 5.477 30 20 IKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 507909517 RIROUVTZGSSNGL-INIZCTEOSA-N 431.517 5.428 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc(-c2ccccn2)nc1C 508380539 FREPIBRDIZWFGM-UHFFFAOYSA-N 427.489 5.133 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H]3c3cccc(Cl)c3)c2)cc1 509903563 BZKATSGDCFCGJV-VWLOTQADSA-N 445.950 6.354 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2ccc(C)s2)C(C)C)cc1 509956041 NRWCEBWWJFLEMQ-UHFFFAOYSA-N 435.549 6.172 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 511450354 HYVCFQYBHSUFJE-SQJMNOBHSA-N 444.579 5.298 30 20 IKED C=C(C)CN(Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1)Cc1ccc(CO)o1 512198934 WKSBDGGSPDFXOM-UHFFFAOYSA-N 439.581 5.108 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCC(=O)Nc2cccc3ccccc23)cc1 513876751 QYGFJKGZDWPHKD-UHFFFAOYSA-N 436.471 5.264 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)n2)cc1 514900486 UDUCNLIZBXVHAO-UHFFFAOYSA-N 434.908 5.561 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc(OC)c1OC 514944993 HPHTYNHVHVHWKR-MRXNPFEDSA-N 447.491 5.259 30 20 IKED COc1ccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC 516836962 IHNLJCOCRWNPGW-KRWDZBQOSA-N 431.492 5.115 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)CC1(CC(=O)Nc2nccs2)CCCCC1 517343127 FZZPMNVXWVDAKE-UHFFFAOYSA-N 441.597 5.036 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 517456720 YKDFHBPCONNNFQ-KRWDZBQOSA-N 446.532 5.711 30 20 IKED Cc1ccc(-n2nc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c3c2CCC3)c(C)c1 518240815 FPWCABBZZFGEML-SFHVURJKSA-N 430.577 5.624 30 20 IKED CCOc1cc2c(cc1OCC)CN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)CC2 518684808 NCRVZDWHRZTPHE-KRWDZBQOSA-N 439.581 5.326 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NCc3ccc(Br)cc3Cl)cc2)nc1 521092202 MFEUBZLZJITJBB-UHFFFAOYSA-N 442.700 5.091 30 20 IKED C[C@@H](C#N)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1c(F)cccc1Cl)CC2 521534996 XPJZINMNLUISTA-JORMNFRLSA-N 433.914 5.746 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)Cc1csc(-c2cc(Br)cs2)n1 521719524 FKUWYRGORSBRQB-UHFFFAOYSA-N 449.399 5.243 30 20 IKED CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(C2CC2)nc(SC)c1C#N 522194006 SWPRIDVBYYWUCU-UHFFFAOYSA-N 448.361 5.116 30 20 IKED COC(=O)C(C)(C)c1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 525591836 ACINIQMUERJCCM-UHFFFAOYSA-N 428.488 5.248 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)sc1Br 535407023 WHQOEANVYGONPD-GFCCVEGCSA-N 444.335 5.004 30 20 IKED CCc1ccccc1N(C(C)=O)c1nc(CN(CC(C)C)c2ccc(C#N)cc2)cs1 535962244 CCPVMVSYRMTWBU-UHFFFAOYSA-N 432.593 5.924 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1ccc(F)cc1F)C(C)(C)C 537124941 OJCNCVQWGCALKA-NYHFZMIOSA-N 431.552 5.675 30 20 IKED CCN(C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1ccc(C#N)c(Cl)c1 538073035 FDIICKKCPGGRLP-HXUWFJFHSA-N 445.950 5.270 30 20 IKED COc1ccc(CN(C(=O)N[C@@H](CCC#N)c2ccccc2)C2CCCCC2)cc1OC 539910966 JVRAUWSARVMBMX-QHCPKHFHSA-N 435.568 5.593 30 20 IKED CSc1ccc(C)c(NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 540543093 FLKHIRAYEBLMRB-UHFFFAOYSA-N 427.580 5.376 30 20 IKED C[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)N(C)Cc1nc2ccccc2s1 541075119 QDAKALZPQYJWGQ-GFCCVEGCSA-N 435.496 5.326 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)N1CCC(CC#N)CC1 541964048 BMFBOUDXLLMKIV-CQSZACIVSA-N 447.402 5.277 30 20 IKED C=CCN(C(=O)CN[C@@H](C)c1cccnc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 542125586 XQEXBGOTIFOOJI-AWEZNQCLSA-N 447.391 5.382 30 20 IKED CCC[C@H](NC(=O)c1ccccc1)c1noc(-c2ccc(Oc3ccc(C#N)cn3)cc2)n1 546474122 RWYNMVJXEZOFSQ-NRFANRHFSA-N 439.475 5.067 30 20 IKED CCc1nc2cc(CNC(=O)c3cn(CCCC#N)c4ccccc34)ccc2n1C1CC1 549534829 OZTIWMITXZEJPR-UHFFFAOYSA-N 425.536 5.122 30 20 IKED C[C@@H](NCCC(C#N)(c1ccccc1)c1ccccc1)C1CCN(CC(F)(F)F)CC1 551045781 XCFUAGVBWTYOKG-HXUWFJFHSA-N 429.530 5.139 30 20 IKED N#CCCC[C@@H](NCc1cc(Br)cc(Br)c1N)c1ccccc1 556908135 JIQIVDZOBHWSMJ-QGZVFWFLSA-N 437.179 5.319 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1c(-c2cccc(Cl)c2Cl)noc1C 557600125 VQPZNHSEGQSLIU-UHFFFAOYSA-N 435.307 5.261 30 20 IKED C=C(C)[C@H](NC(=O)N1CCC(c2noc3cc(F)ccc23)CC1)c1ccc(F)c(F)c1 569298087 QZSZSSMNGNIWNH-NRFANRHFSA-N 429.442 5.452 30 20 IKED Cc1ccccc1COc1cccc(NC(=O)C(=O)N[C@H](CCCC#N)c2ccccc2)c1 571707038 WIQOZGNPFDLGKM-RUZDIDTESA-N 441.531 5.064 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)cc2)cc1 584496727 QLQTXWJRBQEUBL-UHFFFAOYSA-N 427.338 5.530 30 20 IKED Cc1ccc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1OCC(F)F 588716878 RGIXDPSQIWAKIX-QWRGUYRKSA-N 448.354 5.670 30 20 IKED N#Cc1cc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)nc2ccccc12 589042656 HTGOXILLYVCWQB-UHFFFAOYSA-N 432.892 5.326 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2 603522126 NWENNQREBSUCJK-HKWRFOASSA-N 435.552 5.927 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cc(C2CC2)nc2onc(C)c12 603532446 HXWYJEIFJOORQZ-UHFFFAOYSA-N 440.478 5.575 30 20 IKED CCCN(Cc1ccc(C)cc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 603829407 SXTIARRKMGGIPK-UHFFFAOYSA-N 437.594 5.455 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)COc2c(Cl)cccc2Cl)cc1 604004038 PWMHAKMQINQWNP-UHFFFAOYSA-N 441.314 5.656 30 20 IKED CCc1cc(C#N)c(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)s1 604029870 IQGCXMLNDJFFCH-UHFFFAOYSA-N 432.368 5.249 30 20 IKED C[C@H](c1ccc(F)cc1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604166533 CRXKVJHGPTXMFZ-OPAMFIHVSA-N 449.913 5.293 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccn(-c3cccc(F)c3)n2)cc1Cl 604430445 HMNPRZTZXCFWKA-NRFANRHFSA-N 430.870 5.573 30 20 IKED CCN(Cc1ccc(OC)c(OC)c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604461879 OAPITBXPIPJCLU-UHFFFAOYSA-N 431.492 5.422 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(OCc2ccccn2)c1 606767252 BURCBBYZEPEFKZ-UHFFFAOYSA-N 428.410 5.497 30 20 IKED O=C(Nc1ccc(F)cc1OCC(F)(F)F)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F 607308532 GYZSHKPFQUJPKJ-CHWSQXEVSA-N 437.311 5.408 30 20 IKED C[C@@H](Sc1nnc(CCC2CCCCC2)o1)C(=O)N(CCC#N)c1ccc(F)cc1 608929665 HNIWAYNJHZHSQS-MRXNPFEDSA-N 430.549 5.149 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCn3cnc4ccccc43)cc2Cl)c1 609072856 LGUMAMAJVYXGKF-UHFFFAOYSA-N 430.895 5.169 30 20 IKED CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609078645 FHEODJJCWIXCDJ-UHFFFAOYSA-N 429.520 5.508 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H](OCC(F)(F)F)C1 609078836 AFOUJLDXJDNWCO-FQEVSTJZSA-N 447.457 5.021 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 609318734 WANBHPRKZVZVNZ-IBGZPJMESA-N 438.286 5.008 30 20 IKED N#C[C@H](NC(=O)CCc1ccc(Br)cc1F)c1cccc(Cl)c1Cl 609414671 FIMIYFFRMOBEFR-HNNXBMFYSA-N 430.104 5.209 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)cc2)c1 609427056 NAQMYMAAMNOHGA-UHFFFAOYSA-N 431.879 5.383 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 609436626 SFJYXKXCNDHMJE-OXJNMPFZSA-N 441.572 5.452 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)cc1 609826844 FOHNGORKGKKLET-WZONZLPQSA-N 437.540 5.322 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 610632288 NHCNGWNGHZQELI-SDDRHHMPSA-N 425.398 5.143 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)cc2)c1 610632506 HMRXTEHZBLNCFH-IRXDYDNUSA-N 443.347 5.555 30 20 IKED Cc1sc(-c2ccco2)nc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613405316 XTNVBTDJWHGGMQ-NSHDSACASA-N 433.436 5.830 30 20 IKED O=C(Nc1cccc(OCC(F)(F)F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618541921 MNUSGHOQIGFZAW-NXEZZACHSA-N 438.290 5.222 30 20 IKED C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)c(Cl)c2)cc1 619837833 VVJYRWPZIOKXKD-INIZCTEOSA-N 449.963 5.320 30 20 IKED N#Cc1ccc(-c2nnc(N3CCS[C@H](c4ccccc4)C3)n2Cc2cccs2)cc1 619853957 LRGINOVHTKGNBP-QFIPXVFZSA-N 443.601 5.221 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2cccs2)c1 619854067 XWRCPALWOPGLGL-RUZDIDTESA-N 449.624 5.529 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc(Cl)c1OCC(C)C 642282661 RGFBMJCPHLQDDX-CQSZACIVSA-N 447.869 5.618 30 20 IKED CN(Cc1cc(Cl)ccc1F)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 683414182 GQILQZAUPPLZGM-PJXYFTJBSA-N 434.783 5.530 30 20 IKED Cc1ccc(C(C)C)c(Oc2ccc(C=Nn3cnnc3-c3ccccc3)cc2[N+](=O)[O-])c1 725856743 XXDIVLDSZADLJR-UHFFFAOYSA-N 441.491 5.960 30 20 IKED COc1ccc(CCCCCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 727628050 RSKSHIBRTLQMDC-SFHVURJKSA-N 433.335 5.452 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)OCc3ccc(OCc4ccccn4)cc3)o2)cc1 728110228 XOAORKADTRLKRC-UHFFFAOYSA-N 440.455 5.061 30 20 IKED Clc1cncc(NN=C2CCCc3nc(-c4ccc(Br)cc4)sc32)n1 728425402 FZMGJBMICBGXSJ-UHFFFAOYSA-N 434.750 5.169 30 20 IKED COc1cccc([C@H](C#N)NC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)c1OC 729432970 KMKUZCOBCFATQP-HNNXBMFYSA-N 448.331 5.129 30 20 IKED N#C[C@@H](C(=O)c1sc2cc(Br)ccc2c1Cl)c1nc2ccccc2o1 729891537 LAGHCMVBZCGLDL-NSHDSACASA-N 431.698 5.948 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 731114704 VYOIODOFDHPKHH-QZTJIDSGSA-N 446.617 5.049 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1COc1ccc(Cl)cc1 731116383 NLGZRRKWLGTFKH-SJLPKXTDSA-N 429.973 5.667 30 20 IKED COc1ccc(/C=C\C(=O)c2cnn(-c3cccc(Cl)c3)c2C)cc1OCCCC#N 731565276 JPPJYWBFEONARB-NTMALXAHSA-N 435.911 5.421 30 20 IKED C/C(=C/C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c1ccccc1C(F)(F)F 741903396 RJRVLGRZBSUFNK-UVTDQMKNSA-N 426.360 5.571 30 20 IKED COc1ccc(CON=Cc2cc(Cl)c(OC)c(OC)c2)cc1SC(F)(F)F 742350878 MPSZGMMIDMDQDB-UHFFFAOYSA-N 435.851 5.528 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 742594479 ZEJQUPWYZWOBNE-XXBNENTESA-N 435.568 5.197 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc(NC(=O)c3cccs3)cc2)cc1 743474633 MMVJMHJUOOKPNV-GOSISDBHSA-N 432.549 5.056 30 20 IKED CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1 744023739 MDVLDESZVGPVKZ-KRWDZBQOSA-N 449.334 5.039 30 20 IKED C=CCc1cc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc(OC)c1O 747063163 CBTABYIPUCHVAA-YBEGLDIGSA-N 445.903 5.109 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NS(=O)(=O)C2=Cc3ccccc3CC2)cc1 751283032 WZJJLKHBYLFGET-UHFFFAOYSA-N 432.501 5.088 30 20 IKED Cc1[nH]c2ccccc2c1C1=CCN(CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 751477314 BKAUFMPKIJGCPL-IBGZPJMESA-N 426.545 5.052 30 20 IKED N#Cc1cccc(COc2cccc(/C=C\C(=O)c3cc4c(s3)SCC(=O)N4)c2)c1 758025029 INAVEUGYQBZILT-FPLPWBNLSA-N 432.526 5.139 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccccc2N2CCOC2=O)cc1Cl 761622850 STBSBNVOGSLGJH-UHFFFAOYSA-N 433.851 5.213 30 20 IKED CCc1ccc(Cl)c(CC)c1NC(=O)CCCN1CCO[C@@H](c2cccc(C#N)c2)C1 761758395 XZEJBXLOZGEQTN-HSZRJFAPSA-N 439.987 5.129 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1sc(-c2ccccc2)nc1C(F)F 762023726 GRBOQEUIQOLBSV-GFCCVEGCSA-N 449.841 5.501 30 20 IKED COC(=O)Nc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc(C(F)(F)F)c1 763367066 INZWXWIEPRFZLZ-GFCCVEGCSA-N 437.443 5.388 30 20 IKED COc1cc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)ccc1F 765615377 FQCCWOBHNRDCNB-VMPITWQZSA-N 432.423 5.150 30 20 IKED C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 765945706 MMPHQSODBROPHC-IQGLISFBSA-N 447.510 5.104 30 20 IKED CCN(Cc1cc(Br)ccc1O)C(=O)c1cn(CCCC#N)c2ccccc12 768029832 FWIGMMQRCDXLLM-UHFFFAOYSA-N 440.341 5.075 30 20 IKED Cc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1NC(=O)OC(C)(C)C 772055213 DFPPVPMRWTVSRX-HSZRJFAPSA-N 441.531 6.250 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)c1 772647191 WGBWMHYDDYSSJW-LJQANCHMSA-N 436.870 5.506 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(C(=O)/C=C\c3ccccc3C#N)C2)n1 772831324 QPQZAHKTOSJANP-CBUFDYBVSA-N 429.545 5.110 30 20 IKED C#CCOc1ccccc1NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1 776091787 XPSMNHKSODXWSG-NRFANRHFSA-N 429.520 5.846 30 20 IKED COc1ccc2nc(NN=Cc3csc(N(C(C)=O)c4ccc(F)cc4)n3)c(C)cc2c1 777913430 LVHYOCZXMPFDTK-UHFFFAOYSA-N 449.511 5.278 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NCc1cccc(OCCCC#N)c1 778217670 JERNSGQCTMLZEQ-XMMPIXPASA-N 435.568 5.883 30 20 IKED COc1c(Br)cc(Br)cc1CNc1ccccc1O[C@H](C)C#N 779989577 XDNDPUPULIHWQI-LLVKDONJSA-N 440.135 5.123 30 20 IKED C#CCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccsc1 790735434 LYZHZIPVUZVTAH-GOSISDBHSA-N 445.997 5.084 30 20 IKED CCC[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H](O)c1ccccc1 791786542 NJRIFVBVPALTAC-FTJBHMTQSA-N 443.547 5.355 30 20 IKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1nccc2ccccc12 792095735 LXBHUWUYQNLUMT-SQJMNOBHSA-N 433.511 5.117 30 20 IKED C=CC[C@@H](OC(=O)[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)c(Cl)c1 797554136 QCZSQLXCFAPKRT-BFUOFWGJSA-N 427.349 5.361 30 20 IKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc2ccccc12 799210007 LOIPQIXCHHEVJI-HSZRJFAPSA-N 441.556 5.050 30 20 IKED CC(C)(CC(=O)c1ccccc1)CC(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 799599926 IPPWONIIOKCZAS-QGZVFWFLSA-N 447.560 5.141 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)CC1 800112138 DFYYTIDMAWUYBL-LUAWRHEFSA-N 433.964 5.561 30 20 IKED C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1cc(Br)cc(Br)c1O 800990509 QIMBQPDGXLLAEN-SECBINFHSA-N 444.554 5.293 30 20 IKED Cc1cc(=O)oc2cc(N(C)C(=O)c3ccccc3SCc3ccc(C#N)cc3)ccc12 805348979 DJGOYVJBCWLQLB-UHFFFAOYSA-N 440.524 5.542 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(N4CCCC4)c(Cl)c3)CC2)c(F)c1 806261695 NHWHAUAGWYVHMJ-UHFFFAOYSA-N 442.922 5.026 30 20 IKED C=CCOc1ccc(C(=O)OCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)cc1 913365923 YBIXVBPPOPKOSP-UHFFFAOYSA-N 436.533 5.366 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(OCc2ccccc2)cc1 916903103 LDPPXJSXSAHVOW-DEOSSOPVSA-N 426.516 5.352 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3cccc(F)c3)n2)cc1 916953934 FIHXYSPPDBHYIO-BTYIYWSLSA-N 435.524 5.353 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cs1 917561300 ABPKMHMVSRRNTD-WEVVVXLNSA-N 435.307 6.170 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 920106296 MOUDGQYRGXVMJP-SFHVURJKSA-N 447.491 5.165 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)Cc4cccc(C(F)(F)F)c4)CCC3)cc2)C1 1785810383 PVDWUNDUMQLLEH-UHFFFAOYSA-N 442.481 5.348 30 20 IKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc4c(Cl)cccc4s3)CCC2)cc1 1787887672 PWLQXLBFBDMUIM-UHFFFAOYSA-N 437.952 5.606 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)cc(Cl)n4)cc3)CCC2)C1 1789905211 PXHHXCYOASWBHQ-UHFFFAOYSA-N 430.335 5.102 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c3ccccc3n3ccsc13)C2 1798592279 DBAITGGPIAMJST-REPLKXPHSA-N 449.620 5.398 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/C2CCCCC2)[C@H]1c1cccnc1 1808524354 RCUKBTDTAPLDIT-GPYYXEEUSA-N 437.628 5.216 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2sccc2Cl)[C@@H]1c1cccnc1 1811098680 LJYOKBLRUMPOEE-HKUYNNGSSA-N 446.016 5.109 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c(C(C)(C)C)c2)[nH]n1 1814827538 RRGCCSKOKSCONB-FQEVSTJZSA-N 437.588 5.110 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ncccc23)n[nH]1 1818472482 YDALJPSAAIYLEF-JPYJTQIMSA-N 443.551 5.032 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC2CCC(C)(C)CC2)n[nH]1 1820979508 NVLIGTOMIUIZHI-GOSISDBHSA-N 436.547 5.220 30 20 IKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](c2ccccc2)C(C)C)CC1 1824533197 FEOFXKNHKAACAF-SMIHKQSGSA-N 444.685 5.000 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc(C(C)C)cs2)CC1 1825386044 PNWYVWJGQDFGCW-OAQYLSRUSA-N 445.673 5.492 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3[nH]ccc3s2)CC1 1828334834 YEEZHUYQIFCMIK-TZIWHRDSSA-N 439.625 5.231 30 20 IKED CC(C)=CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1830254055 SWWUZMAVXQCVMH-DEOSSOPVSA-N 444.736 5.404 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)ccc(Cl)c2F)CC1 1831375959 HXSGFVZEWDTCHR-HNAYVOBHSA-N 438.946 5.064 30 20 IKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccccc2)cc1 10170466 NCFJCSFUTHMYAR-UHFFFAOYSA-O 425.524 5.601 30 20 IKED C=CCn1c(SCc2nnc(-c3ccccc3Cl)o2)nnc1-c1ccc(OC)cc1 10405121 ZXKCGFZXHNRFJI-UHFFFAOYSA-N 439.928 5.135 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cccc3ccccc23)cc1 11126858 BONKEUFRNWFVDW-UHFFFAOYSA-O 447.530 6.019 30 20 IKED CCCCSc1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)s1 11161061 OZHHBOFNYFRPFQ-UHFFFAOYSA-N 449.671 5.566 30 20 IKED Cc1c(C(=O)NCCSCc2ccccc2C#N)oc2ccc(Br)cc12 16499727 QDPVYEQNGLJRES-UHFFFAOYSA-N 429.339 5.039 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2cccc(Cl)c2C)cc1 22728276 MZMBPZCIRLXKQD-UHFFFAOYSA-O 444.045 6.309 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C(C)C)cc2)[n+]2cccc(O)c2)cc1 22728681 IPYYBROMTKMKTK-UHFFFAOYSA-O 435.569 5.253 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2cc(C)cc(C)c2)cc1 22730249 XBWMKDFDVVCYQE-UHFFFAOYSA-O 448.568 5.421 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(F)ccc1F)=C(/S)Nc1ccc(F)c(Cl)c1 22800004 ONDOULYEYZNQCJ-UHFFFAOYSA-O 449.905 5.658 30 20 IKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(C[C@@H](C)c3ccccc3)o2)cc1C 29378209 ILMIWKKWLOYDFH-LJQANCHMSA-N 434.565 5.072 30 20 IKED Cc1ccc(-c2nc(CC(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cs2)cc1 32289615 SLVZECQCGLJINE-UHFFFAOYSA-N 439.540 5.750 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)c1 108847236 VQDXNIOOSRJHCP-UHFFFAOYSA-N 435.527 5.638 30 20 IKED Cc1nn(C)c2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c12 195556905 SHWRKLUUJHNRLR-QGZVFWFLSA-N 447.951 5.421 30 20 IKED N#Cc1cc(Nc2cccc(C[S@](=O)Cc3ccccc3)c2)nc2ccc([N+](=O)[O-])cc12 302668896 NFLVVYWSLHJYAL-JGCGQSQUSA-N 442.500 5.207 30 20 IKED CC[C@@H](CC#N)c1cccc(-c2cnc3[nH]c(-c4cnn(C5CCN(C)CC5)c4)ncc2-3)c1 328578682 SGCNKNGXKNUYQP-SFHVURJKSA-N 439.567 5.114 30 20 IKED COc1ccccc1CSc1ccccc1NCc1nnc(-c2cccc(C#N)c2)o1 431211373 QKPCBFXYOBLFPK-UHFFFAOYSA-N 428.517 5.521 30 20 IKED CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 431977147 KDFYTJXUJJFXFH-QHCPKHFHSA-N 429.524 5.635 30 20 IKED Cc1ccc(S(=O)(=O)N[C@@H](CN[C@H](CCCC#N)c2ccccc2)c2ccccc2)cc1 433024445 CVEBLMICPDGAPP-FTJBHMTQSA-N 447.604 5.039 30 20 IKED N#CCCC[C@H](NCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)c1ccccc1 433027954 AJPHSBFLDNURGH-PZJWPPBQSA-N 432.549 5.044 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H](COCc2ccccc2)C1 437850416 NEWYQRHSULSCJC-HSZRJFAPSA-N 441.531 5.730 30 20 IKED C[C@@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)Oc1ccc(Br)cc1 438045572 UGZHTVYZLVAVNP-LSDHHAIUSA-N 448.386 5.432 30 20 IKED CN(C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@@H](c1ccc(Cl)cc1)C1CCCC1 440241934 LBGWQBOFRUKMIQ-OAQYLSRUSA-N 440.975 5.097 30 20 IKED N#CC1CCC(CNC(=O)[C@@H](Oc2ccc(Br)cc2)c2ccccc2)CC1 441139248 OCYRZJNHGZLLGP-BPZDKFOGSA-N 427.342 5.015 30 20 IKED Cc1ccc(Sc2c(Cl)cccc2NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)cc1 441620899 AZOVXDWDJQSGDY-UHFFFAOYSA-N 449.963 5.268 30 20 IKED CCCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 442209312 RWLGTXFVPUMLHH-UHFFFAOYSA-N 449.457 5.006 30 20 IKED CC(C)(C)Cc1nc(-c2cccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c2)no1 442694973 UTFYVXFOSBVYLK-INIZCTEOSA-N 449.461 5.560 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(-c2nc(CC(=O)Nc3ccccc3F)no2)c1 445312596 YNRIIGUUWNPZGM-UHFFFAOYSA-N 448.841 5.374 30 20 IKED CCCC(C#N)(CCC)NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 446735179 NTMWLMOKWDRDFS-NRFANRHFSA-N 425.960 5.180 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 447394727 RAKXXTLNPDCMSI-UHFFFAOYSA-N 431.448 5.085 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(CC(F)(F)F)CC1 460376329 SKYSMIIVVJVAAF-PMACEKPBSA-N 434.506 5.268 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]cc2-c2ccc(F)cc2)cc1Cl 460722374 TYBJWXIBHPFJCJ-NRFANRHFSA-N 429.882 6.382 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 463482142 SPLZDHVLBIKUMI-UHFFFAOYSA-N 442.906 5.537 30 20 IKED CCc1nc2ccc(Cl)cn2c1C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 464188503 SQVPOGAIKNERSF-MRXNPFEDSA-N 436.924 5.172 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)cc1 466060748 BZSUNTRXKDWJIO-NVQXNPDNSA-N 441.531 5.231 30 20 IKED CC(C)(C)c1ccc(Oc2ccc(C(=O)N3CCC[C@]4(CCCCO4)[C@H]3C#N)cn2)cc1 468647945 HXFFZADHBOFBHG-ATIYNZHBSA-N 433.552 5.239 30 20 IKED CC(C)[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1Cl 470565217 RLELSWPRDCCMLM-QHCPKHFHSA-N 438.959 5.442 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)n1 473929883 WRFDYYHFNXXMBA-HNNXBMFYSA-N 444.871 5.395 30 20 IKED C=CCOCCCSc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1Cl 475959095 PDKNEZHXJHILQA-UHFFFAOYSA-N 439.972 5.004 30 20 IKED Cc1nc([C@@H](C)N2CCCN(Cc3ccc(C#N)cc3)CC2)oc1-c1ccc(Cl)cc1 477768544 RMRXYYGHPKTMLR-LJQANCHMSA-N 434.971 5.444 30 20 IKED C=CCn1c(SCc2csc(-c3ccccc3OC)n2)nnc1-c1cccs1 479802142 XKXBIVWZIZWSNS-UHFFFAOYSA-N 426.592 5.617 30 20 IKED COc1ccc(/C=C/c2nc(O)c3cc(Br)sc3n2)cc1OCCCC#N 480033275 DTURPSHCDOJBOX-FNORWQNLSA-N 446.326 5.021 30 20 IKED Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)o1 480313725 JEMRSDTXODKQOP-KBMIEXCESA-N 443.547 6.238 30 20 IKED C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 481098084 CEROTMRZFZQRDU-WPRPVWTQSA-N 444.326 5.412 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N(CCC#N)CC(F)(F)F)cc12 482672426 PUYXSGHEHYHBQH-UHFFFAOYSA-N 440.878 5.026 30 20 IKED C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(CC(=O)Nc2ccccc2SCC#N)C1 485972567 IXXSHYOIZDWKGW-KXBFYZLASA-N 433.499 5.343 30 20 IKED O=C(Nc1c(F)cc(F)cc1Br)N[C@@H](c1cccc(F)c1F)C(F)(F)F 487196738 YTIMWQDLALRDMO-ZDUSSCGKSA-N 445.132 5.431 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(COc4ccc(F)cc4)o3)s2)cc1 487443620 GUPLVGMPFYCIPS-UHFFFAOYSA-N 433.464 5.169 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1 490569819 QTBFISIXMVREID-UHFFFAOYSA-N 436.519 5.057 30 20 IKED C[C@@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@H](c2cccc(C(F)(F)F)c2)O1 493985788 OXMPDTIYSDRBDQ-RDTXWAMCSA-N 434.462 5.127 30 20 IKED Cn1ccnc1SCc1cccc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)c1 499810030 IQPIMFQOXPCEBA-QGZVFWFLSA-N 431.348 5.014 30 20 IKED CN(C)Cc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1Cl 500799150 YZYJOCMWIZVMFS-UHFFFAOYSA-N 435.980 5.818 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cc(Cl)c2c(c1)OCCO2 502255254 RWGRYYUWICFSQI-UHFFFAOYSA-N 436.920 5.064 30 20 IKED C[C@@H]1CCCN(CCCCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 502876893 PBUUJANQGRKTBQ-XXBNENTESA-N 439.003 5.629 30 20 IKED C[C@H]1CCCCN1C[C@@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1 505935466 LZCHEAAEXCTOAY-SFTDATJTSA-N 433.621 5.436 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(OCc3cscn3)c2)cc1 507906249 AFDPCEMVHTVWML-UHFFFAOYSA-N 427.485 5.638 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(=O)Nc1cccc(Cl)c1SC(C)C 508009943 IOJIVGWMAYKQQT-UHFFFAOYSA-N 449.020 5.161 30 20 IKED C=CCn1c(SC[C@H](C#N)CCC#N)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 508533438 ZFOJAIHFNKYZQV-WMZOPIPTSA-N 439.654 5.879 30 20 IKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(c2noc(C3CC3)n2)CC1 508963856 SUHLESUEUTZJRF-UHFFFAOYSA-N 432.572 5.073 30 20 IKED C[C@H]1c2cccc(Br)c2CCN1C(=O)CCCCOc1cccc(C#N)c1 509932772 UZWZNNCETMKDOJ-INIZCTEOSA-N 427.342 5.016 30 20 IKED Cc1c(Br)cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1[N+](=O)[O-] 510514887 OKPJIMGXUVABKC-LLVKDONJSA-N 434.315 5.312 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)c1 511701393 PTSCBMNMUSLDBD-HSZRJFAPSA-N 429.907 5.441 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2csc(-c3ccc(C)o3)n2)cc1 512531252 SFMXDJZIMMNCNC-UHFFFAOYSA-N 445.500 5.565 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 515077176 ITOCZOLCZORMJX-UHFFFAOYSA-N 434.521 5.429 30 20 IKED Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 515446856 HTRVYFIUPNKHTI-UHFFFAOYSA-N 438.512 5.495 30 20 IKED Cc1ccc(C2=NN(C(=O)CNc3ccccc3SCCC#N)[C@@H](c3ccco3)C2)cc1 517459103 VMSFRLAWWJYJCF-JOCHJYFZSA-N 444.560 5.384 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)c2)cc1 517844581 SSNCBOPEAGVHGN-UHFFFAOYSA-N 435.439 5.647 30 20 IKED Cc1nc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cc2nc1C 518667522 BZDRHXFRMXXLBD-UHFFFAOYSA-N 430.455 5.524 30 20 IKED CCOc1cc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)ccc1OCc1cccnc1 518708846 BJCRLTCDUOJWGR-QHCPKHFHSA-N 443.547 5.351 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)Cc3csc(Cc4ccc(F)cc4)n3)n2)cc1 518949537 RHYWFEDKOAIQEQ-UHFFFAOYSA-N 434.521 5.049 30 20 IKED C=CCn1c(SCc2csc(-c3ccoc3)n2)nc2sc3c(c2c1=O)CCC3 519413116 BQOUZPJAXGYCAX-UHFFFAOYSA-N 427.576 5.142 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)cc2)nc1 520323494 FSBVEEOCNZDECR-UHFFFAOYSA-N 430.464 5.184 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NCc3csc(Br)c3)cc2)cc1 520328724 CVLOZZYJVYNRMA-UHFFFAOYSA-N 427.323 5.299 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(CC)o2)nc2scc(-c3cccs3)c2c1=O 520330961 HBYXFOUVEDEABO-LLVKDONJSA-N 430.580 5.171 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 520483583 ZBHGXBTXBAIOGA-UHFFFAOYSA-N 438.531 5.204 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1OC(F)F 520855497 PSMKBOFMOWYWJJ-AWEZNQCLSA-N 435.496 5.212 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)c2)c1 522480869 OUXHRQLTOMASJY-HSZRJFAPSA-N 435.508 5.751 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(OCc2cn3ccccc3n2)cc1 522995009 YGWVHOOQIMCOHN-UHFFFAOYSA-N 438.531 5.083 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1 523287155 MELHSEBXRCJNAS-SFHVURJKSA-N 443.528 5.360 30 20 IKED COCc1nc(C)c(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)s1 535405418 OYAGTOPSNDWMLL-IGMNZBQBSA-N 427.595 5.012 30 20 IKED CC[C@@H](C)n1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1C1CC1 535523463 FGLWBZREKDCLGM-GOSISDBHSA-N 428.536 5.743 30 20 IKED N#CC1(c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3Br)cc2)CC1 537437486 BIUCWDDPMHNUSP-UHFFFAOYSA-N 425.204 5.155 30 20 IKED COCCOc1ncccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 537665115 KOLVITJIVAHYNS-HNNXBMFYSA-N 448.331 5.027 30 20 IKED CC(=O)N(c1nc(CN(Cc2ccc(C#N)cc2)C2CC2)cs1)c1c(C)cc(C)cc1C 543248034 NNVGJEFTBBLIKG-UHFFFAOYSA-N 444.604 5.789 30 20 IKED CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 543612692 HYLUYFMNMRYXRL-RDGATRHJSA-N 445.494 5.874 30 20 IKED COc1ccc(C#N)cc1CN[C@H](C)c1nc(-c2ccc(Br)cc2)cs1 544464099 HIRMBGUVKWEUSE-CYBMUJFWSA-N 428.355 5.304 30 20 IKED CS[C@H]1C(=O)Nc2ccc(-c3noc(/C=C\c4cn(CCC#N)c5ccccc45)n3)cc21 546504907 NNEJBIDARKJGKE-XGEAVTJYSA-N 441.516 5.132 30 20 IKED C[C@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccccc1-c1ccc(Cl)cc1 548831777 CRSQRHXYWFHOAH-IBGZPJMESA-N 444.966 5.730 30 20 IKED N#CCCN(C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)c1ccc(F)cc1 554166341 YMHLXTUOHBXUPD-UHFFFAOYSA-N 447.560 6.167 30 20 IKED Cc1ccc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)c(Sc2ccc(Cl)cc2)c1 554537397 HVBBPLSHSORROA-UHFFFAOYSA-N 447.991 5.892 30 20 IKED C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1)c1ccc(F)c(F)c1 555268653 KZDVEGWXONYIIY-LJQANCHMSA-N 447.894 5.114 30 20 IKED CC(C)Oc1cccc([C@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C(F)F)c1 557339269 GICQBVWXQSOOSA-QHCPKHFHSA-N 427.495 5.475 30 20 IKED C[C@@H]1C[C@H](c2ccccc2)N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 562133553 MLZHFEUIQCQQKV-FQRUVTKNSA-N 425.532 5.947 30 20 IKED CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 567654617 PXPYJBWXUJKXPO-CYBMUJFWSA-N 438.347 5.225 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1OC 579534495 XDEYDTMERCKPBO-QFIPXVFZSA-N 444.491 5.132 30 20 IKED Cc1ccc(-c2cncc(F)c2)cc1NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 583215894 ARXSYPGEDQKBNO-UHFFFAOYSA-N 444.510 5.580 30 20 IKED N#Cc1cc(Cl)c(C(=O)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c(Cl)c1 589840705 VERSATPCSUPIGU-MRXNPFEDSA-N 429.225 5.098 30 20 IKED O=C(CNc1cccc(C(F)(F)F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 591430303 GKQLCVWCEKSQHD-PJXYFTJBSA-N 436.318 5.143 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1csc(-c2cccc(F)c2)n1 603601398 YQDJRQRCHWANKL-UHFFFAOYSA-N 444.491 5.498 30 20 IKED C[C@@H](C#N)CN(C)C(=O)NC[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 603746194 XTGWLQMPVKKKKR-KSSFIOAISA-N 429.351 5.408 30 20 IKED C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)Nc1ccccc1Br 604459711 HEIYHRITJDNVBQ-HNNXBMFYSA-N 436.309 5.552 30 20 IKED Cn1ccnc1SCc1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)o1 609177058 GLJICPJHCFAJLM-UHFFFAOYSA-N 430.489 5.222 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)cc1 609466000 ZOZOAZRKGZSXJR-OALUTQOASA-N 429.520 5.079 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 609772549 GPAUJULROYRRCP-DYESRHJHSA-N 428.001 6.883 30 20 IKED CCOc1cc(-c2nnc(S[C@H](C)c3ccc(C#N)cc3)o2)cc(OCC)c1OCC 609813489 BCKFACQSHWFXNX-OAHLLOKOSA-N 439.537 5.658 30 20 IKED C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Sc1ccccc1)c1cccc(C#N)c1 610385914 NVMLPFDFIDIUAG-HNNXBMFYSA-N 435.936 5.179 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 610639843 IDZCIFWHMSLEGH-DISONHOPSA-N 447.423 5.377 30 20 IKED COc1ccc(CN(C(=O)NCc2ccc(C#N)cc2F)[C@@H]2CCCC[C@@H]2C)cc1OC 611327594 LNESYLOGQLQFGK-HTAPYJJXSA-N 439.531 5.005 30 20 IKED N#CC1(NC(=O)c2sc3cccc(Cl)c3c2Cl)CCN(Cc2ccccc2)CC1 611498658 MYBLBZBILDPFKO-UHFFFAOYSA-N 444.387 5.496 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 612645832 RUMGWOAEXBCUOR-QGZVFWFLSA-N 440.263 5.156 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(OCC(F)(F)F)cc1 642161581 QTACSTQYENITJA-GDNZZTSVSA-N 437.302 5.267 30 20 IKED CN(Cc1nc(C(F)(F)F)cs1)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1 673761835 IXPYCRNCZRITAS-UHFFFAOYSA-N 433.324 5.480 30 20 IKED O=C(N[C@H]1CCCOc2c(F)cccc21)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 679313303 YWSYPLRWSROZLP-YFCNSXCBSA-N 442.375 5.248 30 20 IKED CCc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnn1C1CCCC1 682766013 IOIHAJQZKVGWGX-CQSZACIVSA-N 432.471 5.679 30 20 IKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(C)c(C)cc2C)c1 726572365 ZYCIULARILWUDQ-UHFFFAOYSA-O 448.999 6.056 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)Nc1ccc2c(c1)OCCCO2 727279051 LDOBMNKZZPHRTC-UHFFFAOYSA-N 447.535 5.571 30 20 IKED COc1cc(C(=O)/C=C\c2csc(-c3ccc4c(c3)OCO4)n2)ccc1SC(F)F 728439529 AGKBOMQNTUMZPV-PLNGDYQASA-N 447.484 5.758 30 20 IKED N#CCSc1ccccc1NC(=O)CNc1ccc(OCc2cccc(F)c2)c(F)c1 728569936 VQQJDTPXRHYNRU-UHFFFAOYSA-N 439.487 5.210 30 20 IKED N#CCn1c(C(=O)OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc2ccccc21 729767667 RCALZCXQRCHZIQ-UHFFFAOYSA-N 441.434 5.664 30 20 IKED Cc1csc([C@H](C#N)C(=O)[C@@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)n1 730393834 CMWDUWGNQGSQSQ-BEFAXECRSA-N 433.385 6.468 30 20 IKED N#C[C@@H](C(=O)CSc1cccc2cccc(Cl)c12)c1nc2cc(F)ccc2s1 730418231 UHTWRDSBULGHMT-AWEZNQCLSA-N 426.925 6.211 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 730919371 CJHVZFOXKZVRJS-HKBOAZHASA-N 436.483 5.606 30 20 IKED COc1ccc(C(C)=NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)c2ccccc12 733079935 MXQMXSOMHHEOSD-UHFFFAOYSA-N 437.425 5.555 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)ccc1OC 733278800 XXXODHQGWIIAGO-CQSZACIVSA-N 432.307 5.094 30 20 IKED C=CC[C@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2)c1ccncc1 734455776 LHGFYCRFEQIUGH-SFHVURJKSA-N 427.335 5.110 30 20 IKED Cc1cc(Cl)cc2nc(SCC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)oc12 735234626 OPQGJJUZIWOJKD-HNNXBMFYSA-N 439.949 5.882 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C)c(NC(=O)NC(C)(C)C)c2)cc1 741110845 AFGSAFGXNOBOMK-NRFANRHFSA-N 448.567 5.219 30 20 IKED COc1ccc2sc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c(C)c2c1 744016524 NYSVBPQFQTXUMH-HNNXBMFYSA-N 449.557 5.298 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 744029836 XDKJGDFHLPWOIF-FQEVSTJZSA-N 444.412 5.885 30 20 IKED O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccncc1)c1ccc(-c2ccncc2)cc1 745989817 BICHIPGUPAOFGC-KHPPLWFESA-N 428.495 5.892 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2cccc3ccccc23)cs1)c1ccc(F)cc1F 745998383 RPPYZQPHNFTUCI-BENRWUELSA-N 434.467 6.155 30 20 IKED CC(=O)N(c1ccccc1)c1nc(C=NNCc2ccc(-c3ccccc3)cc2)cs1 748085239 AHWCHIVIRXBTTM-UHFFFAOYSA-N 426.545 5.618 30 20 IKED CCn1nc(C)c(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1C 750914329 VWSZNYBTMQUWOT-TWGQIWQCSA-N 444.285 5.347 30 20 IKED CC(C)(C)OC(=O)NCc1cccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 752688542 YDHGDRDNGVXVEQ-FCHUYYIVSA-N 434.540 5.015 30 20 IKED COc1ccc(CCCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(OC)c1 754532633 WYIOJBODAPWTGA-INIZCTEOSA-N 448.466 5.531 30 20 IKED COc1ccc(/C=C(\C)C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1F 755602659 OXGPWVRVPJZUJW-QMEWPPBRSA-N 444.462 5.377 30 20 IKED C/C(=C\c1ccccc1Cl)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 756516868 XIHUYPAQWKYJGC-XBVMLYLOSA-N 430.891 5.883 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1 756920849 IPYXOPNBAMVPBM-SFHVURJKSA-N 441.487 5.107 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)cc1 756924802 RBSBEAVNMBAAMR-UHFFFAOYSA-N 449.551 5.036 30 20 IKED C#CCCc1noc(CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC(C)C)n1 762013782 IEKPVVFLGOLNIC-UHFFFAOYSA-N 436.368 5.149 30 20 IKED Cc1nc2c(s1)[C@@H](Nc1nc(N[C@@H]3CCCc4nc(C)sc43)ccc1C#N)CCC2 767309929 FERULJVXGARJKO-MSOLQXFVSA-N 436.610 5.462 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)C(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2)cc1 768118190 JEYZDJXQQGTKNZ-UHFFFAOYSA-N 435.487 5.228 30 20 IKED Cc1nnc(SCc2c(C(=O)OCCCCC(C)(C)C#N)oc3ccccc23)s1 768646221 YIKPYPJZURNZIG-UHFFFAOYSA-N 429.567 5.762 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cccc(Oc2ccc(Cl)cc2)c1 778297368 IFDMXONBGFNOPU-SFHVURJKSA-N 425.271 5.747 30 20 IKED C[C@H](OC(=O)CCCCOc1cccc(C#N)c1)c1nnc(-c2ccccc2F)s1 783633546 KMGNYBNYWIVURC-HNNXBMFYSA-N 425.485 5.069 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccnc1 800576529 OGUXATOVANHSFU-QFIPXVFZSA-N 436.556 5.026 30 20 IKED O=C([C@@H](F)c1ccc(C(F)(F)F)cc1)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 801965003 JRIQCPVJPVZPFE-KRWDZBQOSA-N 449.366 5.245 30 20 IKED O=C(COC(=O)c1cc(F)c(C(F)(F)F)cc1F)Nc1ccc(SC(F)F)cc1 805594840 OLANQUCJENDEHE-UHFFFAOYSA-N 441.324 5.094 30 20 IKED O=C1/C(=C\c2cnc(-c3ccc(Br)cc3)s2)C[C@H](C(=O)O)c2ccccc21 806563270 UMMUBMOMKYAGIW-GWCFYCIZSA-N 440.318 5.411 30 20 IKED C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(N2CCCCC2=O)cc1 810184224 OAQMXGIKYHWNCH-MSOLQXFVSA-N 436.581 5.480 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 812176000 NVPPQJBEKGZBLS-UWJYYQICSA-N 428.367 5.090 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@@H]1c1noc(-c2cccc(COc3ccc(C#N)cc3)c2)n1 904700408 CJFFYHSRKAVXDU-OAQYLSRUSA-N 446.507 5.259 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=S)NCCSc2ccc(Cl)cc2)cc1 916012285 JODNZXKYFAOSEU-UHFFFAOYSA-N 443.947 5.243 30 20 IKED COc1ccc2oc(C)c(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)c2c1 916095638 KRKLUXWYTBVBQL-UHFFFAOYSA-N 436.518 5.018 30 20 IKED CCOc1c(Cl)cc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC 916942102 GAGFLMOICBPWTI-AWEZNQCLSA-N 441.698 5.015 30 20 IKED N#C[C@@H](C(=O)CSCc1coc(-c2ccccc2)n1)c1nc2ccccc2n1C(F)F 917042885 IPHBRTDWTZFVDV-INIZCTEOSA-N 438.459 5.196 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2c(C)nn(-c3ccc(Cl)cc3)c2C)S1 917144632 JSRQSSABFNZYLL-NDENLUEZSA-N 436.968 5.651 30 20 IKED CC(C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(COc2ccccc2C#N)o1 917328017 NMWBCRUGCLOOQP-QGZVFWFLSA-N 432.476 5.038 30 20 IKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C(C)C)c3)N(C3CC3)C2=O)cc1 917712952 JKBYGBYGSCOCGY-QFIPXVFZSA-N 449.576 5.135 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)n1 920328388 YHMAWJGUPCFBPG-MNDMWVCDSA-N 426.494 5.077 30 20 IKED CC(C)c1csc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4)cc3)CCC2)n1 1790255854 VWDCNPKFLJVJMR-UHFFFAOYSA-N 444.560 5.200 30 20 IKED CC(C)=CCCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)c(C#N)c3)CCC2)cc1 1790452686 KRHRCXZKTPFCBD-UHFFFAOYSA-N 433.527 5.120 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3Cl)cc2)CCC1 1790668416 SSCKIXBKRRLNIP-UHFFFAOYSA-N 444.934 5.210 30 20 IKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(F)ccc3s1)C2 1793053215 WOUCEPMMHDGAGO-ACDBMABISA-N 426.557 5.061 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C(C)(C)C)s2)c1 1797154946 HOGGDHKUNXDAHH-RZXSNQJFSA-N 449.620 5.238 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3cnccc23)[nH]n1 1819554778 NZAVZBTZJHWPTH-QFIPXVFZSA-N 445.567 5.256 30 20 IKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3cccc(Cl)c3)CCCC2)n[nH]1 1822315418 PLQZCPIVYFBGCC-FQEVSTJZSA-N 440.975 5.143 30 20 IKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)[C@H](C)CC)CC1 1826421990 DSAHQEDYZHNTPO-BUALBWRZSA-N 436.640 5.240 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)c(F)c2C)CC1 1832617697 OFDWMWKAHODEGS-NZQKXSOJSA-N 444.566 5.275 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)=C(/S)Nc1cc(C)cc(C)c1 10172519 QCYXGTAEYIZEBW-UHFFFAOYSA-O 448.612 5.352 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cccc(Cl)c1)=C(/S)Nc1ccccc1Cl 10826034 KYMAUYYRBRTLPM-UHFFFAOYSA-O 430.380 5.894 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccccc2CC)cc1 22729404 DILQHDWHQYYKGN-UHFFFAOYSA-O 433.597 5.603 30 20 IKED Cc1ccc(Nc2nnc(SCCC(=O)Nc3ccccc3C#N)s2)cc1Cl 24901042 GVYQFAAYEVTPHK-UHFFFAOYSA-N 429.958 5.236 30 20 IKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cc3csc(-c4ccccn4)n3)c2C#N)C1 61054791 MNPJXXGWOKOMOC-AWEZNQCLSA-N 436.606 5.470 30 20 IKED CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 62879837 AGRNBURHVCUFJF-FQEVSTJZSA-N 442.515 5.065 30 20 IKED CC[C@@H](C)C(=O)Nc1cccc(CNCc2cccc(OCc3ccccc3C#N)c2)c1 237007062 ANXKPJRPCJFJGU-HXUWFJFHSA-N 427.548 5.412 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 248073799 HRMQMIDCRBQLSY-UHFFFAOYSA-N 428.479 5.156 30 20 IKED N#Cc1cnc2ccc(OC(F)F)cc2c1NCc1ccc(NC(=O)c2ccco2)cc1 301081574 KHBPFRJEMOONEA-UHFFFAOYSA-N 434.402 5.165 30 20 IKED Cc1cc(F)ccc1-c1ccc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1F 303698438 QZTLSQVWMCOSAQ-UHFFFAOYSA-N 437.330 5.897 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2c[nH]c3cccc(Cl)c23)cc1 431350947 LSLLGAYWTPTQEM-UHFFFAOYSA-N 429.907 5.648 30 20 IKED Cc1nc([C@@](C)(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)no1 432679596 IVBIBKRNLQEGDL-CVDCTZTESA-N 435.915 5.134 30 20 IKED Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)c2)n1 437469739 RQUCXUCXXANCNU-UHFFFAOYSA-N 440.478 5.604 30 20 IKED CCOC[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C1 438522920 IREGKVYDIBDXBO-MRXNPFEDSA-N 447.457 5.650 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)C(=O)Nc2ccccc2SCCC#N)c(C)c1 438830829 PXUPOPAIFNDSJP-INIZCTEOSA-N 427.595 5.469 30 20 IKED N#CCSc1cccc(C(=O)Nc2ccc(Cl)cc2-c2nc(C3CCCC3)no2)c1 439689257 KECXOQOSRXEMFT-UHFFFAOYSA-N 438.940 5.916 30 20 IKED CCN(CC(=O)Nc1ccccc1SCC#N)[C@@H](c1ccccc1)c1ccc(F)cc1 440313148 JDZDNUVPVPXKEG-VWLOTQADSA-N 433.552 5.491 30 20 IKED Cc1nc(-c2cccc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c2)cs1 442595340 FZEWYUAIJCCXGH-MRXNPFEDSA-N 446.557 5.198 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2cccc(CSc3c(Cl)cccc3Cl)c2)n1 442602371 SCUIHOMHPLXZPZ-HNNXBMFYSA-N 433.385 6.541 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@H](C)c2ccc(Br)s2)n(C2CCCC2)c1C 443345035 JOBSPEZHHOSHRF-CYBMUJFWSA-N 449.418 5.205 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c2ccccc21 443915831 NAMZLWKOLFXZSC-UHFFFAOYSA-N 441.491 5.112 30 20 IKED O=C(CN(CCC(F)(F)F)CC(F)(F)F)Nc1cc(C(F)(F)F)ccc1Cl 447828536 DQGXUXMOASGBFI-UHFFFAOYSA-N 430.698 5.114 30 20 IKED C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@@H]1[C@H]1CCCO1 460810115 BVBONJXUQRSSDA-WOJBJXKFSA-N 435.597 5.101 30 20 IKED Cc1cccc([C@@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)c1 461872280 RMTBIZUFRQLOCD-RPWUZVMVSA-N 427.552 5.036 30 20 IKED Cc1ccc(-n2cc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)c(C(C)(C)C)n2)cc1 464406237 ZTNHMLZHVSBRNE-QGZVFWFLSA-N 426.442 5.382 30 20 IKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)cc(-c3ccco3)nc21 464407718 PXCHULIRCUUHPP-OAHLLOKOSA-N 439.397 5.176 30 20 IKED C=CCCN(C)C(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 466638581 AIALJNDSZUJENG-UHFFFAOYSA-N 431.380 5.047 30 20 IKED CCOCCOCc1cccc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1C 467706450 WOFFZXCLSJHOMC-UHFFFAOYSA-N 445.519 5.856 30 20 IKED C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470547518 RXQIPSXQKWACMQ-IQGLISFBSA-N 430.552 5.105 30 20 IKED Cc1c(I)cccc1C(=O)Nc1ccccc1S[C@H](C)CC#N 471262895 OFOBWLZCQGYDCA-GFCCVEGCSA-N 436.318 5.246 30 20 IKED N#CC[C@@H](CC(=O)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1ccccc1 474574473 IDTMIDYEHZERGU-SFHVURJKSA-N 433.943 5.351 30 20 IKED CCN(C(=O)[C@@H](C)Oc1ccccc1C#N)[C@H](c1cccnc1)c1csc2ccccc12 480975009 XTJTVGUHLLXQES-IQGLISFBSA-N 441.556 5.573 30 20 IKED CCc1c(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cnn1-c1cccc(C(F)(F)F)c1 485322621 REWOUYFPZNKAPH-AWEZNQCLSA-N 427.430 5.208 30 20 IKED O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CCCOCC1 486159783 QVYAAYDOHNRMDJ-TVQRCGJNSA-N 437.302 5.261 30 20 IKED N#C[C@H](NC(=O)c1cc2ccccc2n1CC(F)(F)F)c1cccc(C(F)(F)F)c1 486435961 ROYXXJGVKSJCOF-HNNXBMFYSA-N 425.332 5.217 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1cccc(OC)c1 488881075 VWKFDJMDGZDNPC-INIZCTEOSA-N 433.537 5.351 30 20 IKED C=CCn1c(C)cc(C(=O)CSc2nnc(-c3cccs3)n2Cc2ccco2)c1C 489395529 FEAPFPFROYQJMY-UHFFFAOYSA-N 438.578 5.227 30 20 IKED C[C@@H]1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)C[C@H](c2cccc(C(F)(F)F)c2)O1 489762395 NDKWAOPCWVEBKH-TYCQWZJGSA-N 431.458 5.222 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H](c2cccc(F)c2)c2ccccn2)cc1 499309544 UOUHEAFCTHHPCB-RUZDIDTESA-N 438.462 5.796 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)[C@H](Oc2ccccc2CC)c2ccccc2)cc1 499693682 LRWFNTOQYCWFMW-XMMPIXPASA-N 429.520 5.315 30 20 IKED CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1 500022335 AGAWZJRPWFHKDZ-IBGZPJMESA-N 441.531 5.052 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(-c2csc(C)n2)c[nH]1 500124606 VUXMAPUNVAMJPD-UHFFFAOYSA-N 434.334 5.177 30 20 IKED COc1ccc(COCc2cccc(NC(=O)CSCc3ccc(C#N)cc3)c2)cc1 502443136 VRDGYRSQEIMPAI-UHFFFAOYSA-N 432.545 5.156 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(NC(N)=O)cc1 502501637 MDRUBCLWUKVZHN-QVKFZJNVSA-N 447.926 5.369 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)Cc3ccc(OCc4ccccn4)cc3)cc2)c1 502987950 BNFUNWPBJZCMHO-UHFFFAOYSA-N 435.483 5.506 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)NCC1(c2ccccc2Cl)CCCCC1 504326038 XEMKKPISSKSCCN-UHFFFAOYSA-N 426.992 5.018 30 20 IKED CC(=O)c1ccc(SCC(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1F 505362352 OBILDAQCJWAVMI-XMMPIXPASA-N 448.519 5.080 30 20 IKED COc1ccc([C@H]2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2)cc1 506657089 XERZVDQSXNGIGS-RDPSFJRHSA-N 445.950 6.025 30 20 IKED COc1ccc2nc(C3CC3)cc(C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)c2c1 507535026 UPZGSZWSVDZGHZ-UHFFFAOYSA-N 437.503 5.047 30 20 IKED C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 508886178 XUHDWQAVPBKXKV-IBGZPJMESA-N 444.505 5.063 30 20 IKED CN(C)[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccs1 510011036 SOHGFQWBFSWCKI-TZIWHRDSSA-N 438.984 5.481 30 20 IKED COc1ccc(OC)c(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 510024639 VFBVUMJFTDCOON-NRFANRHFSA-N 435.911 5.334 30 20 IKED COc1cc(C)c([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC 510872211 LIOSNFQIUYSUKD-GOSISDBHSA-N 445.519 5.867 30 20 IKED Cc1nc(-c2cccs2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 512502444 AHKMBFDRYJICJH-OAHLLOKOSA-N 432.555 5.665 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CSc2nc3ccccc3o2)cc1 512539512 DONWFJNOMRIXPK-UHFFFAOYSA-N 431.473 5.231 30 20 IKED C=CCOCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 517152707 WQIALSATPPOYBP-UHFFFAOYSA-N 443.366 5.308 30 20 IKED CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(CSc2ccccc2)cc1 520976729 WLDOVMIRIIPAMG-UHFFFAOYSA-N 429.589 5.055 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3c[nH]c4ccc(Cl)cc34)cc2F)c1 523506695 GGWCHBKIPWOQRW-UHFFFAOYSA-N 433.870 5.592 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ncc(Cc3ccccc3Cl)s2)c1 523955200 ABVGLIBIPCIAPU-UHFFFAOYSA-N 449.919 5.683 30 20 IKED CCN(Cc1cccs1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524439299 QWDYYVAWZGJXHC-UHFFFAOYSA-N 425.941 5.906 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)nc2sccc2c1=O 525046570 FGHYOYJTHIWRBN-LBPRGKRZSA-N 444.969 5.125 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(c4ccccc4O)CC3)cc2Cl)cc1 532183834 MDDMNBTZHZUSOC-UHFFFAOYSA-N 448.910 5.064 30 20 IKED C=C[C@@H](CC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F)c1ccccc1 534001051 JBUBXCGXPSQFJC-HNNXBMFYSA-N 428.410 5.849 30 20 IKED CC(=O)c1cccc(OCc2cc(C(=O)Nc3sc4c(c3C#N)CCCCCC4)no2)c1 538844237 HVKXQCSMUXXPKN-UHFFFAOYSA-N 449.532 5.301 30 20 IKED N#C[C@H](C(=O)c1cc(OC(F)F)cc(OC(F)F)c1)c1nc2ccccc2n1C(F)F 539463072 FFYCHJWZEQCABO-GFCCVEGCSA-N 443.303 5.124 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 539617762 UEYSDTLKBWSRNI-VXKWHMMOSA-N 446.517 5.160 30 20 IKED C[C@H](NC(=O)Nc1ccccc1O[C@@H]1CCOC1)c1ccc(-c2cccc(C#N)c2)cc1 541096736 FJXGTRCIIHJHKS-FDDCHVKYSA-N 427.504 5.276 30 20 IKED CC(C)(C)[C@@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C[C@H]1O 542634527 VQJYXFCZSMZHKE-KCZVDYSFSA-N 425.960 5.256 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)n1 542981365 LTJIDXBDIQFHPW-UHFFFAOYSA-N 425.197 5.322 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1 544278542 ZFGKQNTVQOMZBH-UHFFFAOYSA-N 438.487 5.427 30 20 IKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1cccc(F)c1Cl 548644063 CONRTISKSNBBJT-UHFFFAOYSA-N 445.718 5.614 30 20 IKED CC(C)C(=O)Nc1cccc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1 553142560 DZJHUSSNTRMCKS-UHFFFAOYSA-N 438.959 5.051 30 20 IKED N#Cc1cc(Br)ccc1CSc1nnc(Cc2c(F)cccc2Cl)o1 553706701 USFDLSKNSPBTJH-UHFFFAOYSA-N 438.709 5.379 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NCc1cc(F)c(C#N)c(F)c1 556803091 AJXOCAQKVXZDIX-UHFFFAOYSA-N 445.878 5.042 30 20 IKED Cn1nccc1[C@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 558746251 MKTYZTFZKKSTOJ-GHTZIAJQSA-N 433.943 5.140 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cnn1-c1cccc(Cl)c1 562182144 FKNNPFBSFGTPPT-UHFFFAOYSA-N 429.867 5.145 30 20 IKED FC(F)(F)CN1CC[C@@H](c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)C1 564220616 KSTGKUWPMSRXJP-MRVPVSSYSA-N 433.274 5.126 30 20 IKED C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(C)(C#N)CC2)n1CCc1ccccc1 564671127 QMGGKMAJFVKYMX-IBGZPJMESA-N 449.986 5.444 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1ccc(-c2ncon2)cc1 565445829 DZBVVVRRTGQVOZ-UHFFFAOYSA-N 425.448 5.140 30 20 IKED C=CCn1c(COCc2ccccc2)nnc1N(C)[C@@H](C)c1sc(C(C)C)nc1C 569275213 CNHXGJLPFAFDTL-SFHVURJKSA-N 425.602 5.267 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](CC1CCCCC1)C(C)(C)C 571318196 HZEBDORBXMJOKL-LAUBAEHRSA-N 429.630 5.378 30 20 IKED C[C@@H](NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(-c2cccc(C#N)c2)cc1 572072171 ZGBMYMFYTFHRJO-IQGLISFBSA-N 427.504 5.276 30 20 IKED CC(C)Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C2CC2)cc1 572970905 UTJWHUXTUXIYES-HOYKHHGWSA-N 449.620 5.485 30 20 IKED C=CCn1c(SCCC(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1cccc(C)c1 589941667 GVFGJNWUJOIFPA-UHFFFAOYSA-N 437.956 5.086 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)c1cc(=O)c2cc(Br)ccc2[nH]1 602745779 UVTAQIXZTLKXOO-UHFFFAOYSA-N 449.329 5.004 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c1 609081037 SQMZMEDKABHIRM-UHFFFAOYSA-N 425.357 5.375 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 609387081 JUHTZMNCWGGKEI-MRXNPFEDSA-N 449.542 6.582 30 20 IKED N#CCn1c(C(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)cc2ccccc21 609454089 GNOPHGLXOSIAEI-XMMPIXPASA-N 448.526 5.394 30 20 IKED N#C[C@@H](NC(=O)CCCCc1nc2ccccc2s1)c1ccccc1Br 609590075 BJMLOJWRBXDQIM-QGZVFWFLSA-N 428.355 5.153 30 20 IKED C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 610016691 MDMKODHNRNVMHP-MRXNPFEDSA-N 428.467 5.101 30 20 IKED COc1ccc(-c2ncc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)s2)cc1 610290487 OGHKEKDDFHDNMD-UHFFFAOYSA-N 428.473 5.130 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 610639845 IDZCIFWHMSLEGH-ICUGJSFKSA-N 447.423 5.377 30 20 IKED CC(=O)N(c1nc(CSc2ccc(Cl)cc2C#N)cs1)c1c(C)cc(C)cc1C 610655287 YBJCLWLBVQVYMY-UHFFFAOYSA-N 442.009 6.570 30 20 IKED Cc1nc(-c2ccc([C@@H](C)NC(=O)CSc3nc(C)c(C)c(C)c3C#N)cc2)cs1 612980666 KMAJDICCILGDPC-MRXNPFEDSA-N 436.606 5.280 30 20 IKED CC(=O)c1cccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 615337078 RQIKSIAHNDQTOX-OAHLLOKOSA-N 433.895 5.646 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N(C)Cc2ccccc2C)nnc1-c1ccc(Cl)cc1 617896052 IIAMNVYXWYXKAA-QGZVFWFLSA-N 441.000 5.232 30 20 IKED N#C[C@H](C(=O)c1cc(F)cc(Br)c1)c1nc(-c2c(F)cccc2F)cs1 620304496 FNSPTQYVVYYJEY-GFCCVEGCSA-N 437.240 5.480 30 20 IKED N#C[C@H](NC(=O)CCC(=O)c1cc(Cl)sc1Cl)c1ccccc1Br 674800140 NGCBLOFZXJBKBX-LBPRGKRZSA-N 446.153 5.161 30 20 IKED Cc1cn(-c2ccccc2)nc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 681173686 QYVRTKJIMONICQ-OAHLLOKOSA-N 426.423 5.299 30 20 IKED C#Cc1cccc(NC(=S)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 726434933 WLRNEEFAJXDTGX-UHFFFAOYSA-N 439.462 5.748 30 20 IKED CCc1ccccc1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728062620 QUOSWBGJKVKSKK-KRWDZBQOSA-N 433.939 5.792 30 20 IKED Cc1cc(-c2cc(C(=O)OCc3ccc(F)cc3C#N)c3cnn(C(C)C)c3n2)c(C)o1 728617493 LLEZKECVBPEDQL-UHFFFAOYSA-N 432.455 5.257 30 20 IKED C[C@@H](C#N)Oc1ccc(/C=C\c2nc3ccccc3c(-c3ccccc3)c2CC(=O)O)cc1 728698892 BLVATJTZCMFUNF-AGWAZZAUSA-N 434.495 5.990 30 20 IKED CC(C)(C)CN(CCC#N)Cn1nc(Nc2ccc(SC(F)F)cc2)sc1=S 729468004 LGUAEHDDNFQEEL-UHFFFAOYSA-N 443.614 5.952 30 20 IKED N#Cc1ccc(CSCC(=O)O[C@@H](c2ccc(Br)cc2)C(F)(F)F)cc1 731146544 HYRJQYYUENUCGN-KRWDZBQOSA-N 444.272 5.401 30 20 IKED N#Cc1cnc2c(F)cc(F)cc2c1NC1CCN(c2ccc(OC(F)F)cc2)CC1 732803878 WBYXEWJMJHQSAA-UHFFFAOYSA-N 430.405 5.067 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(SCc3ccccc3)cc2)ccc1OC 733230729 SFZUFTKPOQPMPK-QFIPXVFZSA-N 446.572 5.598 30 20 IKED N#CCCN(C(=O)CCC(=O)O[C@H](c1cncc(F)c1)C1CCCCC1)c1ccccc1 733697401 ILLZXNLUAGTAFU-VWLOTQADSA-N 437.515 5.112 30 20 IKED Cc1cc(/C=C/C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)ccc1Oc1cccnc1 735231787 AOGCZSXEODXREM-ONNFQVAWSA-N 429.444 5.075 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)NCc2ccc(OCC#N)cc2)c1C 735577071 KKNRCNHXQBEBFE-UHFFFAOYSA-N 444.322 5.020 30 20 IKED CCC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1cc(Cl)ccc1OC 736430802 IIXJRVBRHPKZMN-UHFFFAOYSA-N 435.837 5.446 30 20 IKED C[C@@H]1COCCN1c1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 737729323 YGEQRHPZLZFSMF-QGZVFWFLSA-N 447.922 5.481 30 20 IKED Cc1cccc2c(CCC(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c[nH]c12 744027905 DYISBUJCWWNLKJ-QFIPXVFZSA-N 437.499 5.549 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)n2)cc1 744061744 NVOIAWSLOJHUAB-GUDVDZBRSA-N 443.355 6.105 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 745267820 ACKRLDBDJZEICW-XMMPIXPASA-N 426.476 5.470 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 748003937 MDCBOBBHANNIKA-IBGZPJMESA-N 448.504 5.022 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc3cc(O)ccc3c2)cs1 749004997 VYBZZWYCDTUCPV-XFFZJAGNSA-N 432.476 5.722 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(CCC(F)(F)F)cc1 752477373 PBSDZXBDFXVUTI-CQSZACIVSA-N 429.225 5.449 30 20 IKED CCOC(=O)Nc1ccc(NC(=S)Nc2ccc(OC(F)F)c(Cl)c2)cc1C#N 752765412 NQWJZWVSCMWXLG-UHFFFAOYSA-N 440.859 5.190 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNCc2cc(Br)cc(C(F)(F)F)c2)c1 758513715 FKWDQKNJHFLWRE-KRWDZBQOSA-N 427.264 5.439 30 20 IKED CN(C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 758518307 PIWLHUHYAJWMCN-FYYLOGMGSA-N 449.551 5.488 30 20 IKED C/C(=C/c1cccc(Cl)c1)C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 758890856 SQLUNTBTMJLOJT-HEUOVEHFSA-N 428.941 5.177 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cnn(Cc3ccccc3)c2)cs1 760271154 ZMOWPXZRSYHGMI-FMIVXFBMSA-N 446.507 5.108 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)cc1 766290168 SINCGAITMVIENN-RSXGOPAZSA-N 436.490 5.787 30 20 IKED C[C@@H](OC(=O)/C(=C\c1ccc(F)cc1)c1cccs1)C(=O)N(CCC#N)c1ccccc1 772121474 IBYRCXPGINBNNS-LFTLAFEGSA-N 448.519 5.306 30 20 IKED CN(C)c1ccc([C@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)c2c[nH]c3ccccc23)cc1 776743516 OTYHPFJTDFWNDF-VWLOTQADSA-N 448.570 5.351 30 20 IKED CC[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)CC[C@H]1NC(=O)OC(C)(C)C 778395373 NGOPVXMWWLFRSM-GHTZIAJQSA-N 449.551 5.116 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3ccccc3O[C@H](C)C#N)cc(-c3ccccc3)nc21 780158443 LICXNXDLKPVVMX-QGZVFWFLSA-N 425.492 5.222 30 20 IKED Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 782390902 CAQBJRCZRKTLAE-LBPRGKRZSA-N 441.340 5.100 30 20 IKED COc1cccc([C@@H](OC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2ccncc2)c1 782457619 RBBJFNPFRCINDM-VWLOTQADSA-N 440.455 5.080 30 20 IKED CCc1cccc(CC)c1-n1c(-c2cccnc2)nn(CN2CCC[C@](C)(C#N)C2)c1=S 784013301 MTAYNSIOXHDCON-RUZDIDTESA-N 446.624 5.173 30 20 IKED N#C[C@@H](C(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1)c1cnc2ccccc2n1 792107923 IVDWKNMUJAWRGJ-OAQYLSRUSA-N 427.891 5.281 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c(C(F)(F)F)c1 796647805 REJVZUDMQYQGBK-UHFFFAOYSA-N 447.457 6.106 30 20 IKED C[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(C(F)(F)F)cc1 798817167 UZWZCGHDUDZYKQ-HZMBPMFUSA-N 429.225 5.463 30 20 IKED Cc1ccc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)c(-c2ccnn2C)c1 802705595 LPBUJPDSNQTSMO-UHFFFAOYSA-N 439.544 5.025 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(F)cc1F)[n+]1cc(O)cc(-c2ccccc2)c1 811724031 XAXBBKDDYCDFII-UHFFFAOYSA-O 439.507 5.002 30 20 IKED COc1ccc([C@H](O)C2CCN(C(=O)Nc3cccc(C#Cc4cccs4)c3)CC2)cc1 812917971 LLRIUZSOHXZKQB-VWLOTQADSA-N 446.572 5.134 30 20 IKED C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(C(F)(F)F)nc1Cl 816762135 RYVHECXREWLOEU-GFCCVEGCSA-N 449.816 5.288 30 20 IKED CC(=O)Nc1cccc([C@H](C)/N=C/c2cc(Br)cc(Br)c2O)c1 914556626 CSVPJLPRDFSZAZ-YPZZKDGISA-N 440.135 5.056 30 20 IKED N#C[C@@H](C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1nc(-c2ccccc2)cs1 915101923 KGPHIYZKYYFVJK-LIRRHRJNSA-N 439.949 5.143 30 20 IKED N#C[C@H](C(=O)CCc1nc(-c2cccs2)no1)c1nc(-c2ccc(Cl)cc2)cs1 915102253 UQTCHTUALMRTFO-CQSZACIVSA-N 440.937 5.384 30 20 IKED N#C[C@H](C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)c1ccccc1 916622804 MBYHAECIPZXFKM-IBGZPJMESA-N 446.482 5.181 30 20 IKED C=CCOc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1OC 916909746 QUXBVXAZBLHRQK-FQEVSTJZSA-N 442.471 5.013 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(COc3ccc(F)cc3)o2)cc1 916947500 LKGJYYCZWGITCZ-AOMKIAJQSA-N 434.467 5.472 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917043551 MWOZXKIJRQFOAB-CQSZACIVSA-N 440.406 5.369 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4cccc(F)c4)n3)n2)cc1 920138280 CFZGULUYTXBDJS-IBGZPJMESA-N 449.532 5.500 30 20 IKED CCOc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 920139180 OGOOJCOPYZRCGV-HXUWFJFHSA-N 434.517 5.057 30 20 IKED COc1cc(/C=C\C(=O)c2c(C)nn(C)c2C)ccc1OCCOc1ccccc1Cl 920832461 LMULJWCFCNTDIH-LUAWRHEFSA-N 440.927 5.053 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1ccc(C2SCCCS2)cc1 925496724 SNPHWAFWPAUJLG-MRXNPFEDSA-N 447.647 5.377 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)CCC1 1790273528 KIVHBMUYHFYCCZ-UHFFFAOYSA-N 448.563 5.220 30 20 IKED COc1ccc(Cl)cc1C(=O)Nc1ccc(C2(NC(=O)[C@@H](S)C(C)C)CCC2)cc1 1790341826 TXIZIMLNBIPMRB-FQEVSTJZSA-N 447.000 5.051 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc4nscc34)CCC2)cc1 1791730735 TZKISXYKPXVVGO-UHFFFAOYSA-N 431.561 5.238 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1)C(F)(F)F 1792126392 FXAJSLYKKDQYMR-OAHLLOKOSA-N 441.453 5.180 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/C2CCCCC2)[C@@H]1c1cccnc1 1808507528 IKDMBQMJDRTHDU-OYGUTAAASA-N 437.628 5.216 30 20 IKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[C@@H](C)CC)[C@H]1c1cccnc1 1812586654 KTFDJRZCJBOJMN-JIANZVGOSA-N 447.623 5.130 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)cc2F)n[nH]1 1814579432 BOAZMGPZQLGCQI-FQEVSTJZSA-N 444.938 5.277 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](CC)c2ccccc2)[nH]n1 1819304442 BIWQWWBPNFLJKA-MQSCRBSSSA-N 434.584 5.364 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccccc2C)[nH]n1 1819310251 VWTIRFLUEMHJQE-GMAHTHKFSA-N 434.584 5.111 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3cc(C)[nH]c23)CC1 1828208136 JXMTZWKBNWBUFI-VWLOTQADSA-N 447.623 5.478 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCc3ccccc32)CC1 1828829204 FROPMMCYSMFVMD-ARMFNRFLSA-N 434.624 5.105 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cccc([N+](=O)[O-])c1)=C(/S)Nc1cccc(C)c1C 10167772 GDILRMBZRSTSJH-UHFFFAOYSA-O 434.541 5.112 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc3c(c2)CCCC3)c1 11083075 HATIWDMPPLAURX-UHFFFAOYSA-O 447.599 5.968 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1F)=C(/S)Nc1ccc(C)c(C)c1 11162404 YAUDFNKPLGGYCH-UHFFFAOYSA-O 425.524 5.482 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2F)nnc1-c1ccc(Cl)cc1 16862763 TWVSJPVUIGAMBC-GFCCVEGCSA-N 434.899 5.182 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1ccoc1C 21140653 WWZZWLWFQJKHQP-ZDUSSCGKSA-N 436.459 5.171 30 20 IKED CC[C@H](C)c1ccccc1OC/C(O)=N/c1nc(-c2ccc(CNC(C)=O)s2)cs1 21445915 SPYCXQQJCZYNCA-AWEZNQCLSA-N 443.594 5.688 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2CC)[n+]2ccccc2CC)cc1 22732050 YDRQIKYXEINORZ-UHFFFAOYSA-O 433.597 5.549 30 20 IKED C=C(C)CN/C(S)=C(/C(=O)c1ccc(Cl)c(Cl)c1)[n+]1ccc2c(c1)CCCC2 22796464 XYSFNVZZUACQNM-UHFFFAOYSA-O 434.412 5.264 30 20 IKED COc1ccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)cc1OC(F)F 27289112 ARYWYUURPPIMJC-UHFFFAOYSA-N 440.471 5.249 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 78665542 SAGXYNBUBLQFIV-GOSISDBHSA-N 427.529 5.637 30 20 IKED Cc1nc(NC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)sc1SCC#N 110126080 NOCICAYJPQWOAQ-UHFFFAOYSA-N 440.497 5.462 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC(=O)Nc1c(C)cccc1C 195634231 QFVDSORORPNBDI-UHFFFAOYSA-N 428.492 5.036 30 20 IKED CCCCCCCCc1nnc(NC(=O)c2cc(Br)cnc2Cl)s1 303088421 CLCPOIGTYWQQDH-UHFFFAOYSA-N 431.787 5.504 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3C[C@H]3c3cccc(C(F)(F)F)c3)s2)cc1 303431706 FYGQCOMAMXUJBH-OALUTQOASA-N 427.451 5.367 30 20 IKED CCCNC(=O)c1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 303846396 JUWYEIJQBLPRLZ-JOCHJYFZSA-N 431.923 5.388 30 20 IKED Cc1ccsc1[C@H](CO)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 429094781 FBGGEGMXCJDXRM-QUCCMNQESA-N 425.941 5.221 30 20 IKED Cc1nc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)nn1-c1c(Cl)cccc1Cl 430587382 ZFBWCHCFMDVOQD-NSHDSACASA-N 434.352 5.127 30 20 IKED N#CCC1(CNC(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 431191001 JIJJQOAMUVQQCK-UHFFFAOYSA-N 431.418 5.165 30 20 IKED Cc1cnc(C2CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)CC2)s1 433164186 ZMUPDVZNRAQZOI-UHFFFAOYSA-N 439.629 5.065 30 20 IKED O=C(N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)N1CC[C@@H](CC(F)(F)F)C1 434180716 RRYWQJWAMXGNBM-JOYOIKCWSA-N 438.290 5.173 30 20 IKED C[C@@H](NCc1ncn(Cc2cccc(F)c2)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 435991916 FQEUMBJLIQYCPA-GFCCVEGCSA-N 446.370 5.354 30 20 IKED C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 437464992 DEQKYUBNDAMLOG-FOIQADDNSA-N 429.451 5.336 30 20 IKED N#Cc1cnc2c(Br)cccc2c1N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 440657338 FQOLPOHVDIJXCI-APWZRJJASA-N 426.289 5.340 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N(CCCO)[C@H]3CCc4ccccc43)c2)cc1 443903866 UMQXBCKBQKHEIM-VWLOTQADSA-N 427.504 5.254 30 20 IKED Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1cn(CCCC#N)c2ccccc12 444048213 VHVURYYPIBPWLE-FQEVSTJZSA-N 442.563 5.520 30 20 IKED CCN(C(=O)NC1CCC(Oc2ncccc2C#N)CC1)[C@H](C)c1cc2ccccc2o1 446630432 FUTQVCFFINPLKQ-MDMXATFFSA-N 432.524 5.182 30 20 IKED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)COc1ccc(Cl)cc1C1CCCCC1 461307825 LWAKOAWORCEIPP-UHFFFAOYSA-N 449.942 5.166 30 20 IKED C[C@@H]1C[C@H](c2ccccc2F)N(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)C1 461804222 BYUVDPNJZMBXEY-MEKIYTOJSA-N 445.542 5.112 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1 464808283 KOTWHWNQAMXKSM-OKXSDPAFSA-N 432.545 5.230 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1cc(C(F)(F)F)ccc1F 471355640 SPFISOXTKOUEHS-UHFFFAOYSA-N 427.291 5.514 30 20 IKED C=CCc1cc(C(=O)Nc2cc(Cl)ccc2-c2nc(C3CC3)no2)cc(OC)c1OC 471489434 UWDJTOWQGNEAQH-UHFFFAOYSA-N 439.899 5.265 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1 474197568 MENMTWFAIBYHNI-UHFFFAOYSA-N 430.382 5.115 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 475605187 XERXZHRCZFDVHC-INIZCTEOSA-N 436.327 5.469 30 20 IKED N#C[C@@H](C(=O)c1ccn(C2CCCC2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 477843463 RMRWOJPICFLGJN-HNNXBMFYSA-N 431.348 5.919 30 20 IKED Cn1ccnc1COc1ccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1 479530210 VTJFQASZRIVGNY-UHFFFAOYSA-N 440.528 5.274 30 20 IKED Cn1cc([C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c2ccc(F)cc2)cn1 480805560 NTPPXTVCLKLBGN-DEOSSOPVSA-N 441.466 5.134 30 20 IKED Cc1nc(C)c(-c2csc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)n2)s1 482763008 TVEGDBPVHOGQLK-UHFFFAOYSA-N 432.530 5.800 30 20 IKED C=CCOc1c(Br)cc(CN[C@H](C)c2ccc3ncsc3c2)cc1OC 485704276 WILMYJNIRPPIDQ-CYBMUJFWSA-N 433.371 5.483 30 20 IKED C=CCn1c(SCc2nc(O)c3oc4ccccc4c3n2)nnc1-c1cccc(Cl)c1 489629824 YCRAVSXLXRPFNL-UHFFFAOYSA-N 449.923 5.472 30 20 IKED CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 490720517 PIEGNNCGRAEUOK-HNNXBMFYSA-N 444.463 5.578 30 20 IKED C[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@H](C)c1ccccc1C(F)(F)F 499426240 DTYNUKRSOYEIAP-ZWKOTPCHSA-N 445.485 5.041 30 20 IKED CC(C)n1ncc2c(C(=O)N(Cc3ccco3)c3ccccc3C#N)cc(C3CC3)nc21 501005441 ZMVRZLFQTAJGBG-UHFFFAOYSA-N 425.492 5.201 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1 505642676 CJXUBVZPLIMSBH-UHFFFAOYSA-N 435.461 5.242 30 20 IKED N#C[C@@H](NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccc(Cl)cc1 505815559 NVJGLYOPQLHRHX-OAQYLSRUSA-N 443.890 5.262 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 505851535 NJCWBVMBVKILTI-INIZCTEOSA-N 435.755 5.062 30 20 IKED N#Cc1c(NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)sc2c1CCCCC2 508869374 HLJUSNUTGPGOBO-UHFFFAOYSA-N 427.614 5.082 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 510889515 IMRXZSYMRORICF-QGZVFWFLSA-N 440.503 5.426 30 20 IKED COc1ccc2cc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c(C)nc2c1 515576567 LVYWSDGUFIABNY-UHFFFAOYSA-N 437.499 5.449 30 20 IKED CCOc1ccc(-c2noc(CCC(=O)Nc3sc(-c4ccccc4)cc3C#N)n2)cc1 515689417 TXJSMVWZJVDTGM-UHFFFAOYSA-N 444.516 5.307 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)N[C@H](CC(F)(F)F)c1ccccc1 515773346 HIANBGKBDITSDT-CYBMUJFWSA-N 440.315 5.705 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H](c1ccccc1)C(C)C 516738457 MHEMBYCOEDBDOB-XMMPIXPASA-N 427.504 5.111 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3ccccc3C(F)(F)F)cc2F)c1 517848591 OMLWOYKAORFOJT-UHFFFAOYSA-N 428.385 5.476 30 20 IKED Cc1nc(CCC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)oc1-c1ccccc1 518539194 FEWZMPSWDCEDNI-UHFFFAOYSA-N 429.398 5.034 30 20 IKED C[C@@H](CCc1ccc(Br)cc1)NC(=O)Nc1ccccc1SC[C@H](C)C#N 518681682 FSPYXFKNLGTQKI-CVEARBPZSA-N 446.414 5.844 30 20 IKED Cc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc(C)c1OCc1cccnc1 518743071 KZWAGGGXAUJDGA-IBGZPJMESA-N 431.561 5.924 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3nnc4n3CCCCC4)n2)o1 522234383 FVWPKTMGJAKDEQ-UHFFFAOYSA-N 433.459 5.151 30 20 IKED CCOc1ccccc1CCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 524364398 ULYSBAXJHKOZMW-UHFFFAOYSA-N 429.520 5.095 30 20 IKED C=CCn1c(SCC(=O)c2sccc2Br)nnc1-c1cccc(C)c1 524622311 GDTKMBXDOXQLPK-UHFFFAOYSA-N 434.384 5.239 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC1(c2cccc(Br)c2)CC1 524896679 CCWXQUCYSDDCOY-CQSZACIVSA-N 430.371 5.654 30 20 IKED C[C@@H](CC(=O)Nc1ccc(OC(F)F)cc1OC(F)F)c1ccccc1C(F)(F)F 525043372 SOEWVZDVIXZDRH-JTQLQIEISA-N 439.327 6.041 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CN(CCC#N)Cc2ccco2)cs1 535962481 DYLKUCWKQXBBLZ-UHFFFAOYSA-N 448.470 5.355 30 20 IKED COCCOc1c(Cl)cc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1Cl 538032094 BEICMEAOTCSDAC-FXAWDEMLSA-N 448.350 5.322 30 20 IKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)Cn4ccnc4C#N)c3C#N)C(C)(C)C2)o1 539998931 AZTDRPNUXUOECA-FNORWQNLSA-N 443.532 5.006 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)cc1 540275899 LAWQHZFWYZZICB-RSXGOPAZSA-N 425.532 5.192 30 20 IKED COc1cc(CN[C@H](C)c2ccccc2OC(F)F)ccc1OCc1cccc(C#N)c1 540345265 IFVVBJFAZLUYFV-QGZVFWFLSA-N 438.474 5.598 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1 540456010 PRVCBIJYWYOAAE-RTWAWAEBSA-N 427.548 5.348 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)N1CCC(CC#N)CC1 541041020 FUVOVRTUHDBGHD-UHFFFAOYSA-N 433.531 5.889 30 20 IKED CC(C)COc1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1Cl 541198982 IHHGGQVPMMRCPM-KRWDZBQOSA-N 436.924 5.255 30 20 IKED C[C@@H](NC(=O)NCc1nccn1CCc1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 542979139 MWZHFXBXTRQDEW-OAQYLSRUSA-N 449.558 5.225 30 20 IKED COc1cc(C#N)ccc1CN[C@H](C)c1nc(-c2ccc(Br)cc2)cs1 543505571 TVHRESZFIANFLG-CYBMUJFWSA-N 428.355 5.304 30 20 IKED C=CCOc1ccc(/C=C\c2nc(Cc3nc4ccccc4n3C(F)F)no2)cc1OC 545044106 DUUVMDFUELPEGP-LUAWRHEFSA-N 438.434 5.149 30 20 IKED C=CCn1c(SCc2nc(CCC3CC3)no2)nnc1-c1ccc(Cl)cc1Cl 547233541 WVDUBOBSSBJEJP-UHFFFAOYSA-N 436.368 5.456 30 20 IKED CCO[C@H](c1noc(-c2cncc(C(F)(F)F)c2)n1)c1ccc(F)cc1C(F)(F)F 554840575 YFSMANPAUIJMPE-AWEZNQCLSA-N 435.299 5.434 30 20 IKED N#CCCC[C@@H](NC(=O)C(=O)Nc1cccc(CSC2CCCC2)c1)c1ccccc1 556624194 ONNLMXIVMBZNNO-HSZRJFAPSA-N 435.593 5.352 30 20 IKED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1 560701968 OMJFOMNWKYSGQB-UGSOOPFHSA-N 439.408 5.492 30 20 IKED CC1(C#N)CCN(c2nnc(Cc3cccc4ccccc34)n2CCc2ccccc2)CC1 565434478 OAEULYGWUWEXNR-UHFFFAOYSA-N 435.575 5.395 30 20 IKED COc1cc(Br)c(CNc2ccc(Oc3ccnc(C#N)c3)cc2)cc1OC 581099392 DXJQXQYSQNWTCA-UHFFFAOYSA-N 440.297 5.137 30 20 IKED O=C(c1csc(-c2c(F)cccc2F)n1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 586803960 IWUVBGUEIBABQO-DTORHVGOSA-N 444.347 5.291 30 20 IKED O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNc1cccc(COCC(F)(F)C(F)F)c1 600852299 OVTJBMHWPGXXMX-UHFFFAOYSA-N 440.315 5.643 30 20 IKED Cc1sc(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)c(C#N)c1C 603445201 RYQYNFSMQOXKQD-UHFFFAOYSA-N 435.599 6.270 30 20 IKED C=CCN(C(=O)c1cc(F)c(F)c(F)c1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603458990 XXGKEQQZRPXVGV-UHFFFAOYSA-N 437.374 5.108 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1nc(-c2ccc(Cl)cc2)cs1 603836679 ZJINFTMSLDCKGK-KRWDZBQOSA-N 449.879 5.047 30 20 IKED COc1ccc(S[C@H](C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 603923792 PFYXMRTWMBDJCA-GOSISDBHSA-N 432.545 5.460 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(-c4ccc(F)cc4)o3)c2)c1 603995725 WRHOCFPKNOPBLL-UHFFFAOYSA-N 425.419 5.462 30 20 IKED Cc1c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)oc2c(Cl)cccc12 603995885 SDNXPLAGMCOZID-UHFFFAOYSA-N 429.863 5.771 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3[nH]c4ccccc4c3Br)cc2)cc1 604458597 LCEGQWRVSGOJDN-UHFFFAOYSA-N 432.277 5.847 30 20 IKED CC(C)c1noc(CCCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1 604536995 BFVQGNJCCYIFQV-LJQANCHMSA-N 437.931 5.256 30 20 IKED CCc1c(C)sc(NC(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)c1C#N 609032627 WEEUSGNJBMJBSU-UHFFFAOYSA-N 427.551 5.192 30 20 IKED CC[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccc(OC)cc1 609079010 WTWGMXPJVQRFHW-XMMPIXPASA-N 429.520 5.727 30 20 IKED COc1cc(OC)c2cc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)[nH]c2c1OC 609176999 CQAWOPPGYAWLNW-UHFFFAOYSA-N 443.459 5.110 30 20 IKED N#CCCSc1ccccc1NC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1 609375938 NVTDRELLMJGNRN-UHFFFAOYSA-N 436.964 6.106 30 20 IKED Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(Cl)c1 609379028 NKLUIUMPNYTBQQ-UHFFFAOYSA-N 434.892 5.474 30 20 IKED CCN1CCN(c2ccc(NC(=O)Nc3ccccc3S[C@@H](C)CC#N)c(C)c2)CC1 609433093 SHLLUWRDAFKHGS-IBGZPJMESA-N 437.613 5.175 30 20 IKED C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 609503537 XTYZKUIPSGXJHD-CQSZACIVSA-N 426.303 5.413 30 20 IKED COCCN(Cc1cccs1)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 609722437 XKBDFETXAPHNQK-UHFFFAOYSA-N 426.925 5.354 30 20 IKED CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 609927241 FRCPUBOFDDLQMI-XIKOKIGWSA-N 441.837 5.050 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1nc2cc(C(F)(F)F)ccc2s1 613405215 VLJZMWORBPWYAR-HNNXBMFYSA-N 446.841 5.644 30 20 IKED Cc1ccc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1C(F)(F)F 642468769 URRNJHWGDIXNTM-NXEZZACHSA-N 436.318 6.045 30 20 IKED C=CCC[C@@H](NC(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(C(F)(F)F)cc1 676730758 JZWSMWYHVROWKH-MGPUTAFESA-N 439.499 5.036 30 20 IKED CCc1cccc(CC)c1N=C1NC(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)S1 726716514 LDRZHHOHHGVIFR-QGZVFWFLSA-N 449.498 5.078 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCC[C@@H]([C@H]3CCCN3C(=O)OC(C)(C)C)C2)c1 729570133 KNHVTYCIBHQXMQ-DENIHFKCSA-N 443.588 5.285 30 20 IKED COCCc1ccc(OCCCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 730071736 QQBVMQVLWNGKKS-SFHVURJKSA-N 428.941 5.174 30 20 IKED COc1ccc(C[C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC 730130231 IMUYYVKWPHAGHI-JPYJTQIMSA-N 429.520 5.112 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](c1cc(Br)ccc1F)C(F)(F)F 730405824 NIHWEGPOEWETOF-QFYYESIMSA-N 446.194 5.074 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(C)Cc2ccc(F)cc2Cl)c1=S 730454826 NSUVUIZQWHJWHQ-UHFFFAOYSA-N 432.952 5.158 30 20 IKED COc1cc(OC)cc(Oc2ccc(/C=C/C(=O)c3ccc(C(F)(F)F)nc3O)cc2)c1 731564567 KTYPZQIEBPQXDO-WEVVVXLNSA-N 445.393 5.512 30 20 IKED O=S(=O)(Cc1cccc(N=Cc2cc(Br)ccc2O)c1)C1CCCCC1 732622457 QCBVPXOXULLKGH-UHFFFAOYSA-N 436.371 5.153 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)cc1 733624775 KUMANIJQIGNZIR-UHFFFAOYSA-N 449.555 5.043 30 20 IKED N#CCCN(C(=O)CCC(=O)O[C@@H](c1cncc(F)c1)C1CCCCC1)c1ccccc1 733697400 ILLZXNLUAGTAFU-RUZDIDTESA-N 437.515 5.112 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1 734102677 DALOBSNQZNDQQY-UHFFFAOYSA-N 443.503 5.737 30 20 IKED CC(C)Oc1cccc([C@@H](O)CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 735120978 AUMISNDWYNXPDM-DEOSSOPVSA-N 446.572 5.101 30 20 IKED COc1cc(CNCc2cccc(-c3ccc(C#N)s3)c2)ccc1OCc1ccncc1 740014666 VFPMINZTJSXXLE-UHFFFAOYSA-N 441.556 5.559 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl 740784743 PMPMCIOXEQKWAC-AWEZNQCLSA-N 445.972 6.191 30 20 IKED C#Cc1cccc(NC(=O)NC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)c1 741056226 AOYUGLCOMGFCLZ-UHFFFAOYSA-N 426.516 5.074 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](O)c1c(F)cccc1Cl 741394180 QZYQTPJZCYDFIQ-NRFANRHFSA-N 439.874 5.307 30 20 IKED COc1ccc([C@@H](NC(=O)Cc2ccc(OCC#N)cc2)c2ccccc2Cl)c(C)c1 742876831 DWPWGTGMQSETBY-RUZDIDTESA-N 434.923 5.008 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 744025212 IVWJGOKMPIPQSN-KRWDZBQOSA-N 428.797 5.385 30 20 IKED COc1cc(CCC(=O)[C@@H](C#N)c2nc(C(C)C)cs2)ccc1OCC(F)(F)F 747193779 PEHHCWOEKSDZEJ-CQSZACIVSA-N 426.460 5.025 30 20 IKED Cc1ccc(SC2(C(=O)OCC(=O)Nc3ccccc3SCC#N)CCCC2)cc1 750972614 KKTIPHMDOGUHLZ-UHFFFAOYSA-N 440.590 5.198 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2ccccc2Br)n1C 751386439 ZPKLXQBIDVSGJR-UHFFFAOYSA-N 436.353 5.377 30 20 IKED Cc1ccc(Cn2nc(C)c(C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)c2Cl)cc1 752375551 BMDZJCYUXVMSCQ-UHFFFAOYSA-N 447.951 5.449 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 755511859 XPGQCLOPMVSRBH-HSZRJFAPSA-N 441.531 5.870 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(-c2c(F)cccc2F)c1 757411468 WWUVASUGSJRWQS-HNNXBMFYSA-N 445.252 5.900 30 20 IKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1C1CC(F)(F)C1 757874003 MEBNKWLAFGPLCH-SFHVURJKSA-N 443.519 5.061 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@H](C)c1ccc(Cl)c(C(F)(F)F)c1 759583957 FUTLCTXMXYEEAE-CQSZACIVSA-N 427.854 5.323 30 20 IKED C[C@](O)(CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(F)cc1 759913818 MGCNLFHRSNKUMK-URXFXBBRSA-N 437.902 5.164 30 20 IKED COc1cc(C=NO[C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)ccc1OC(F)F 763168697 MEAQSJGEHKHFOC-ZDUSSCGKSA-N 436.842 6.025 30 20 IKED N#Cc1cc(NC(=O)CCCOc2cccc(Cl)c2Cl)c(Cl)c([N+](=O)[O-])c1 764313339 GMOTYEVODQJOES-UHFFFAOYSA-N 428.659 5.224 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CC[C@H](C)NC(=O)OC(C)(C)C 764983653 UDWXEXFTGTXJNL-SFHVURJKSA-N 437.540 5.078 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2ccc(C(=O)N(CCC#N)c3ccc(C)cc3)o2)cc1 765327797 XWTSQYUMDMXVDN-UHFFFAOYSA-N 440.503 5.017 30 20 IKED CN1C(=O)CCc2cc(/C=C/C(=O)c3ccc(Br)cc3Br)ccc21 774122213 UTQVWOXZOVTNLQ-FPYGCLRLSA-N 449.142 5.017 30 20 IKED Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 782582209 GNGOTFYXNZCLGY-LLVKDONJSA-N 447.467 5.033 30 20 IKED CC[C@@H](CN(CC)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 785184497 ROOXAFPEFVNRTB-HFZDXXHNSA-N 439.559 5.323 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1 791862096 NEFYPZJFWCAGMH-OXQOHEQNSA-N 431.458 6.145 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N[C@@H](C#N)c1ccccc1Br 793498784 OLEMWXBJSBBCGY-SFHVURJKSA-N 444.329 5.099 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)C[C@H](CC#N)c1ccccc1 793888450 OSTKRJUELABJHA-WMZHIEFXSA-N 433.552 5.615 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(CCC)cc2)[n+]2ccccc2CC)c1 797799126 HQRPJDCRKHZADL-UHFFFAOYSA-O 427.593 5.794 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 798817012 SQDRYBPIDXWLDZ-IUODEOHRSA-N 438.833 5.127 30 20 IKED C[C@@H](OC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl)C(=O)Nc1ccccc1C#N 799592552 NQVWDRPHNNTWRF-GFCCVEGCSA-N 428.275 5.044 30 20 IKED N#CC1(CCCOC(=O)C2(c3ccc(Br)cc3)CCCCC2)CCOCC1 800127606 VKCYCIFKXLXILO-UHFFFAOYSA-N 434.374 5.295 30 20 IKED CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[C@@H](C#N)c1ccc2ccccc2n1 805845711 XZEKULBHZRAKNZ-NZQKXSOJSA-N 443.547 5.703 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)c3cc(Br)ncc3Cl)c2)s1 806902686 BMBPUZWTWWUOCI-UHFFFAOYSA-N 432.730 5.028 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)c3cccc(Br)c3)n2)cc1 813063645 AMTDERAKNPWLCI-UGSOOPFHSA-N 441.350 5.561 30 20 IKED COC(=O)[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccc(OC)c1 864010870 NWNNXTYYRBMCIJ-QHCPKHFHSA-N 436.895 5.125 30 20 IKED N#CCSc1ccccc1C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 901257535 GNMGMHRNVPCCCH-UHFFFAOYSA-N 434.373 5.909 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1 915087410 UEAAGZYYVGVHGC-HSZRJFAPSA-N 441.918 6.222 30 20 IKED N#C[C@@H](C(=O)c1cc2ccccc2oc1=O)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915103603 ZEWZNFFASUHWMR-JGYYPLKSSA-N 430.529 5.207 30 20 IKED C[C@H](SCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nc2ccccc2[nH]1 915179963 JWXCDODPOILBNS-LAUBAEHRSA-N 426.545 5.651 30 20 IKED N#C[C@H](C(=O)c1sc2ccccc2c1Cl)c1nc(O)c2c3c(sc2n1)CCCC3 916845742 HPAHFSDSZIGCCV-GFCCVEGCSA-N 439.949 5.634 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1sc(-c2cccs2)nc1C 916901922 SKAZYBKSRLSARX-LBPRGKRZSA-N 445.953 5.112 30 20 IKED Cc1cc(Cl)ccc1OCC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916904451 DCOIMBYZBPRKPP-IBGZPJMESA-N 434.879 5.167 30 20 IKED N#C[C@H](C(=O)Cc1ccc(-n2cccc2)cc1)C(=O)Nc1ccccc1Oc1ccccc1 916907527 IPLYZYURWJRXSL-HSZRJFAPSA-N 435.483 5.160 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12 916915897 KQBIKCOCUFNOAQ-QGZVFWFLSA-N 443.484 5.016 30 20 IKED N#C[C@H](C(=O)COc1ccccc1-c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 916977720 XHBDUCUFCNJJSR-OAQYLSRUSA-N 444.943 6.386 30 20 IKED N#C[C@@H](C(=O)COc1ccc(OCc2ccccc2)cc1)c1nc2ccccc2n1C(F)F 917040322 LCLDIICVNUNZKW-FQEVSTJZSA-N 447.441 5.266 30 20 IKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN2CCC[C@@H]2c2ccccc2C)c1=S 917482955 OOUVLXJZUFMCLV-NFBKMPQASA-N 448.592 5.216 30 20 IKED CSc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1 917559494 JVJWLZPIRBKERR-KPKJPENVSA-N 428.966 6.099 30 20 IKED COc1cc(OC)c(OC)cc1/C=C\C(=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 917605122 OVHXBEATJYTWSG-HJWRWDBZSA-N 425.462 5.245 30 20 IKED Cc1csc([C@H](C#N)C(=O)Cn2c(-c3cccc(Cl)c3Cl)nc3ccccc32)n1 920103512 CQBFEZUGLDFJMR-CQSZACIVSA-N 441.343 5.652 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4ccccc4C)CCOCC3)n2)cc1 920144484 SOWUWDJVMASIMG-FQEVSTJZSA-N 432.545 5.052 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3c(C)nc4ccccn34)CCC2)cc1 1785842018 LMVPPFAASVQBDL-UHFFFAOYSA-N 444.579 5.383 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)Nc3nccs3)cc2)CCC1 1788618792 RYATYNNEUDSEMF-KRWDZBQOSA-N 440.613 5.070 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccc4nc[nH]c4c3)cc2)CCC1 1789275662 MWLUPQFFDLOPDZ-UHFFFAOYSA-N 428.536 5.079 30 20 IKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@]4(C)C[C@@H]4C)CCC3)cc2)cc1C#N 1792168964 RRFYAOQOTKNEQD-QYBDOPJKSA-N 445.563 5.139 30 20 IKED Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)CC#N)CCC3)cc2)c2ccccc12 1792388775 SRSLHXQWSWXIDW-UHFFFAOYSA-N 425.532 5.129 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3[nH]ccc3s2)[nH]n1 1814829213 PAFSZYJYWVFRPR-GOSISDBHSA-N 437.569 5.027 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3cnccc3c2)n[nH]1 1818641538 DLQKSLTVVOIBOW-HSZRJFAPSA-N 443.551 5.032 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](CC)c2ccccc2)[nH]n1 1819304445 BIWQWWBPNFLJKA-QZNHQXDQSA-N 434.584 5.364 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@]3(C)CC=CCC3)[nH]n2)c1 1823216070 OCIZGQYAILHBQV-NDKUEENFSA-N 445.567 5.089 30 20 IKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ccccc23)CC1 1824500091 SRIKIQSKPJVMDD-AREMUKBSSA-N 448.607 5.056 30 20 IKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](c2ccccc2)C(C)C)CC1 1824533181 FEOFXKNHKAACAF-HJOGWXRNSA-N 444.685 5.000 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC=CCC2)CC1 1830281428 AIBLEHJBDAWQPI-BJKOFHAPSA-N 442.720 5.014 30 20 IKED CC(C)(C)CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C#N)CCC2)CC1 1831577347 PKKWAUVPGURPBT-QFIPXVFZSA-N 429.649 5.297 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(C)CCCC3)CC2)c1 1832629457 RBCBRGNCPJQPIP-HYBUGGRVSA-N 435.612 5.127 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(Cl)cc2)cc1 10832447 JZTPMKDAZJETKA-UHFFFAOYSA-O 445.942 5.909 30 20 IKED CC(C)(C)c1ccc(OCC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 23686597 MFLQYCVHJMJDRZ-UHFFFAOYSA-N 438.578 5.017 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(CC)cccc2CC)nnc1-c1ccc(F)cc1 24014737 HXPZWFBGIPHKMX-MRXNPFEDSA-N 438.572 5.514 30 20 IKED COc1c(C)cnc(CN(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1C 58628833 BBDOTADWLZIZII-UHFFFAOYSA-N 444.535 5.016 30 20 IKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc12 60488208 RNSPOHVQTPSPFX-INIZCTEOSA-N 432.505 5.634 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3ccccn3)n2)cc1Cl 107647479 ZXLFKIGLSBRCIC-FQEVSTJZSA-N 444.947 5.695 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)/C=C/c2nc3ccccc3s2)cc1 108369997 NEFRNUQRJGRIIU-BUHFOSPRSA-N 425.513 5.593 30 20 IKED CCN(C(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1)[C@H](C)c1ccc(C#N)cc1 220106065 MBVAQYHMPUWBHX-GOSISDBHSA-N 428.561 5.550 30 20 IKED CC[C@H](C)C(=O)Nc1cccc(CNCc2cccc(OCc3ccccc3C#N)c2)c1 237110590 ANXKPJRPCJFJGU-FQEVSTJZSA-N 427.548 5.412 30 20 IKED C=CCn1c(SCC(=O)c2ccc(Oc3ccccc3)cc2)nnc1-c1cccnc1 302928419 DCPLVZMXHMRWPZ-UHFFFAOYSA-N 428.517 5.293 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 303277586 JDKFSWUWYMUHHR-PKOBYXMFSA-N 429.545 5.083 30 20 IKED CC1CCN([C@@H](CNC(=O)Nc2ccccc2SC[C@H](C)C#N)c2cccs2)CC1 303404449 RYQIUIMIKHYELD-QUCCMNQESA-N 442.654 5.595 30 20 IKED C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 303504767 MZAPHYLGZIVION-INIZCTEOSA-N 438.886 5.530 30 20 IKED N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1cccc(Cl)c1Cl 303858006 LXCJHBCBLDOYQB-IPYPFGDCSA-N 429.225 5.377 30 20 IKED N#CCSc1cccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1 429923995 KXDFWZPHOHCQRB-UHFFFAOYSA-N 427.982 5.585 30 20 IKED N#Cc1ccc(NC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)c(Cl)c1 430355887 HQSVUWGJTNADBC-UHFFFAOYSA-N 427.938 5.256 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 431185321 XWGOKOWNDFMSPG-ZIAGYGMSSA-N 441.944 5.524 30 20 IKED CCCc1nc(C)c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)o1 431322607 AHYOGVJPIHWISC-UHFFFAOYSA-N 434.443 5.126 30 20 IKED COc1cc([C@@H](C)NC(=O)N[C@H](CCCC#N)c2ccccc2)ccc1OC1CCCC1 431819249 YMWDHOXSWICOJT-AUSIDOKSSA-N 435.568 5.812 30 20 IKED N#Cc1ccc(NC(=O)N(CCn2ccnc2)Cc2cccc(Cl)c2)cc1C(F)(F)F 432213753 QKODVTFZRUKQGB-UHFFFAOYSA-N 447.848 5.161 30 20 IKED Cc1nc([C@@](C)(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C2CC2)no1 432769645 CXOWOYOCWTXALI-QFIPXVFZSA-N 437.887 5.142 30 20 IKED CN(Cc1cc(F)cc(F)c1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 434333244 JHDPOFYGTULGHY-INIZCTEOSA-N 440.334 5.819 30 20 IKED C=CCN(C(=O)C1CCC(C(F)(F)F)CC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 435654915 MUQOSFWOJJSVGG-UHFFFAOYSA-N 439.459 5.606 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCOC[C@H]1c1ccccc1 437957756 BBAZEEXNKWFDMT-VWLOTQADSA-N 427.504 5.051 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 438056297 LVTSFZJRHIVNHQ-OAHLLOKOSA-N 433.499 6.301 30 20 IKED CCn1nc(C)c(NC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c1C 438538617 GGWDNZNAGFNZPS-UHFFFAOYSA-N 443.429 5.847 30 20 IKED N#Cc1ccc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)cc1C(F)(F)F 443886351 SQMLWRLRYIFIJB-UHFFFAOYSA-N 435.858 5.459 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@H](CSc3ccccc3)C2)cc1C 464356812 RCDFEFUCBVTFFT-NRFANRHFSA-N 444.604 5.335 30 20 IKED C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)CCC(=O)N(CCC#N)c1ccccc1 464388166 VPMKIPLAMGCQTQ-QFIPXVFZSA-N 439.559 5.600 30 20 IKED CCC(CC)c1cc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)on1 466114763 FTGGXTUAJDXKKC-NRFANRHFSA-N 436.943 6.209 30 20 IKED COc1ccc(-c2cncc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2)cc1 467077456 BLRSKIWRLVLHHE-GOSISDBHSA-N 447.466 5.649 30 20 IKED CC(C)OC(=O)C[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 468232008 VUXHDQRMWLMYDX-PZJWPPBQSA-N 433.552 5.050 30 20 IKED C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(Br)ccc1F 468802423 BUPKGFWRWSODMC-AWEZNQCLSA-N 430.321 5.344 30 20 IKED C[C@@H]1C[C@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2cccc(Br)c21 469285484 GVNYNHZFKCCDRM-QRWLVFNGSA-N 438.369 5.692 30 20 IKED Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 470261781 VPDFNSDVMFUXAJ-FTJBHMTQSA-N 426.516 5.096 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl 476119600 RCSBUPDEYQQDDC-UHFFFAOYSA-N 426.988 6.819 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 476144327 KKVMXEBIIHCKQA-UHFFFAOYSA-N 440.587 6.183 30 20 IKED COc1cccc(-c2nc(COc3c(Br)cc(C#N)cc3OC)cs2)c1 479930252 ISZDQBBMLHGWJN-UHFFFAOYSA-N 431.311 5.040 30 20 IKED Cc1cc(C)c(-c2nnc(SCC(=O)N(CCC#N)c3cccc(C)c3C)o2)c(C)c1 483234960 FFPCEGYIJJXCRM-UHFFFAOYSA-N 434.565 5.318 30 20 IKED COc1ccc([C@@H](CNC(=O)CSc2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1 484937647 UZWXWYMNKQYSCI-HSZRJFAPSA-N 441.556 5.089 30 20 IKED CC[C@@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 485986228 QJVOEKJAXVYNBT-DEOSSOPVSA-N 427.504 5.289 30 20 IKED CC[C@H](c1nnc(SCc2ccccc2C(C)(C)C#N)n1-c1ccc(OC)cc1)N(C)C 487493232 SGAOFNBKLJWSDJ-JOCHJYFZSA-N 449.624 5.382 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)nnc1-c1ccccc1C 488914803 RCECOJVCHRPFHK-GOSISDBHSA-N 448.592 5.398 30 20 IKED C=CCN(Cc1cccs1)C(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1 493136793 FIDLWCUNLBOBLQ-UHFFFAOYSA-N 440.565 5.446 30 20 IKED O=C(N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccc(F)cc1C(F)(F)F 499349050 LGCFMRQZNWZXNG-ZDUSSCGKSA-N 431.254 5.479 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc([C@@H]4CCCOC4)c3)cc2F)c1 499729796 HBCSBWOUQIUBPN-JOCHJYFZSA-N 430.479 5.423 30 20 IKED Cc1ccc(-n2nc(C)c(CC(=O)N[C@@H](C#N)c3ccccc3Cl)c2C)cc1Cl 499948534 WBVVWCXAJGYOSY-NRFANRHFSA-N 427.335 5.028 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)C3(c4ccccc4)CCOCC3)c2)cc1 501450578 MPWQUPDAJOEKPI-UHFFFAOYSA-N 426.516 5.019 30 20 IKED Cc1cn2c(n1)[C@H](CNC(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)CCC2 506109780 YMTDMVLYVFVNBO-GHTZIAJQSA-N 433.943 5.200 30 20 IKED Cc1nc(-c2ccccn2)sc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 508659645 FDOBNMCTMLHBEM-CQSZACIVSA-N 436.606 5.850 30 20 IKED C=CCN(C(=O)c1ccc(OCc2ccccc2)nc1)c1nc(-c2ccccc2)cs1 508891709 BWNPLXIZKYZDEP-UHFFFAOYSA-N 427.529 5.617 30 20 IKED CCCc1noc2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c12 511745371 ZSRNFGKWFBMWJY-AWEZNQCLSA-N 436.924 5.806 30 20 IKED Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 512112001 DBGHFTWAQNOECO-UHFFFAOYSA-N 447.495 5.033 30 20 IKED O=C(c1cc(OC(F)F)cc(OC(F)F)c1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 513552403 WQPANPGQOCHLMT-CYBMUJFWSA-N 429.332 5.084 30 20 IKED CC(=O)N[C@@H](CC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C)c1ccc(C)cc1 514536345 AWERSZLGEPNBME-VWLOTQADSA-N 443.522 5.115 30 20 IKED CCCc1nc(C(=O)Nc2ccccc2SCCC#N)nn1-c1ccccc1Cl 517441098 LLAZGRDFMYKBPG-UHFFFAOYSA-N 425.945 5.131 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl 521324134 OASIMOHNRMVQFZ-UHFFFAOYSA-N 428.275 5.703 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 521326223 JRYWYZAVHUXUFO-CQSZACIVSA-N 437.956 5.445 30 20 IKED N#CCCSc1ccccc1NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 521716460 KBOPPMNMOIHLLP-UHFFFAOYSA-N 444.585 5.885 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 522072593 VXTIDAIJUGYCIL-QHGAOEGBSA-N 434.565 5.322 30 20 IKED CCN1CCC(n2nccc2NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 523975866 XWUCJYWJYSEBMY-UHFFFAOYSA-N 449.942 5.110 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1nc(-c2ccsc2)no1 524389048 MIPJZFZTZYHHEI-UHFFFAOYSA-N 444.516 5.129 30 20 IKED C=CCN(C(=O)[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C)c1nc(-c2ccccc2)cs1 537586812 MFMHQKISQJYMCJ-AWEZNQCLSA-N 448.514 5.508 30 20 IKED N#C[C@@H](NC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1)c1c(Cl)cccc1Cl 543279677 SWPVMSNGYHKNHV-DNVCBOLYSA-N 431.367 5.181 30 20 IKED O=C(NCc1ccncc1)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 547531601 AVEHLTSGEJZREW-ZDUSSCGKSA-N 445.285 5.222 30 20 IKED C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(C#N)(c2ccccn2)CC1 548798346 HWACFDKLNISVBY-AWEZNQCLSA-N 427.392 5.738 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(NC(=O)c2cccs2)c(C)c1 553453913 MRNWLJRTILIBRJ-UHFFFAOYSA-N 436.581 5.305 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 554760075 LZPKDNPVOKBUCH-NRFANRHFSA-N 448.485 6.043 30 20 IKED CC[C@H](C)Oc1cccc(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 559794365 MEKXMPSHRRZGOI-KRWDZBQOSA-N 429.476 5.105 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccnc(SCC(F)(F)F)c3)n2)cc1 564758405 KCPYQPOOLOGBGL-OAHLLOKOSA-N 444.463 5.221 30 20 IKED N#CC[C@H](Cc1nc(-c2ccc(-c3csc(-c4ccncc4)n3)cc2)no1)c1ccccc1 565781540 RKMBSIFUXCWFFM-JOCHJYFZSA-N 449.539 6.162 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(C(F)F)cc1 570311417 WBSPOUBBKGKBIK-UHFFFAOYSA-N 436.427 5.450 30 20 IKED C[C@@H](Cc1cncc2ccccc12)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 570480058 OAMOINDXBSANFY-HNNXBMFYSA-N 443.494 6.077 30 20 IKED C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 571350748 INKDENLPLSNQGZ-CQSZACIVSA-N 446.353 5.366 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(c2noc3cc(F)ccc23)CC1 573497735 AJCDRKHGZLRVSL-UHFFFAOYSA-N 425.463 5.525 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 574294947 DEKISVAOYLMNCR-VJBMBRPKSA-N 432.568 5.010 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(F)cc3OC3CCOCC3)cc2)cc1 576966692 AUMPJPNXSZNGLM-UHFFFAOYSA-N 446.478 5.494 30 20 IKED CC(C)(C(=O)NCc1ccc(C#N)cc1F)c1csc(-c2c(F)cccc2Cl)n1 589393379 ULYUODJASUWLRX-UHFFFAOYSA-N 431.895 5.207 30 20 IKED CC1(C)CC(=O)c2sc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)nc2C1 592600609 IYUKHXPRXRXRAZ-UHFFFAOYSA-N 435.480 5.354 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccccc1OC[C@H]1CCCCO1 606772376 VAEWEOQFVZRPCQ-QGZVFWFLSA-N 435.442 5.470 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C)c(NC(=O)NC(C)(C)C)c3)n2)cc1 607274844 SBOQHDNNZHPXGN-LJQANCHMSA-N 446.576 5.837 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CCOc1ccc(F)cc1 609078535 XAMSKIIXYMMXOL-UHFFFAOYSA-N 433.483 5.128 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H]3c3ccsc3)cc2Cl)c1 609079751 KAFDEXJBCBMZRP-NRFANRHFSA-N 437.952 6.221 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3CCCc4nc(O)ccc43)cc2Cl)c1 609079800 JJACAPSGMZVWAU-NRFANRHFSA-N 448.910 5.090 30 20 IKED CCc1noc(-c2ccc(CCNCc3cccc(OCc4cccc(C#N)c4)c3)cc2)n1 609223774 ZBEKVEHJVMBKIY-UHFFFAOYSA-N 438.531 5.082 30 20 IKED COc1ccc(-c2nc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)cs2)cc1OC 609338002 URHLHZXVRUWVPX-LBPRGKRZSA-N 439.562 5.138 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cn1c(Cc2ccccc2)nc2ccccc21 609369975 VMPNYJATJFSYIU-IBGZPJMESA-N 440.572 5.660 30 20 IKED COc1ccccc1C[C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609378371 HHMCQGFTMVFWMD-OAHLLOKOSA-N 436.499 5.927 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1csc(-c2ccco2)n1 609388748 IGHLAGLUAQZUPP-CQSZACIVSA-N 429.592 5.527 30 20 IKED COc1ccc(CN(Cc2ccccc2)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 609499601 UFYLKFGKGMOVPM-UHFFFAOYSA-N 449.510 5.597 30 20 IKED Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 609773002 RXHNPCCFGYQLJN-VQIMIIECSA-N 426.561 5.176 30 20 IKED CCOC(=O)Cc1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 609982776 HFSWRVDSAZPRML-UHFFFAOYSA-N 434.879 5.362 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ncc(-c2ccccc2)o1 610068841 XHHXSJWTBNIYSG-GOSISDBHSA-N 439.540 5.997 30 20 IKED C[C@H](NC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)c1cccc(C#N)c1 610761481 WLDGNIFHPCYDPV-HNNXBMFYSA-N 432.351 5.317 30 20 IKED CCc1c(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cnn1CC(C)C 611140856 WSNIJSUGPLTNNT-UHFFFAOYSA-N 435.503 5.335 30 20 IKED N#Cc1ccc(CSc2nnc(Cc3c(F)cccc3Cl)o2)c(Br)c1 611492186 PCJNEIQESAQKNS-UHFFFAOYSA-N 438.709 5.379 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC[C@@H]1Cc1cccc(F)c1 615683209 ROLKXQDNFNHBII-CKEIUWERSA-N 440.403 5.452 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2SCc2csc(C)n2)cc1 630032904 AEVNCVVBMNTUQS-UHFFFAOYSA-N 438.578 5.304 30 20 IKED C=CCOc1c(Cl)cc(CNc2ccc(C(=O)Nc3nccs3)cc2)cc1OC 630055492 LKQUWXZMNVUPAN-UHFFFAOYSA-N 429.929 5.234 30 20 IKED O=C(NCCCSc1ccc(F)cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642629091 GMYGWCXBAUOJKT-RYUDHWBXSA-N 446.432 5.517 30 20 IKED COc1ccc(N2CCC(NC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)cc1 726696663 AXBSRQOPPKYCTM-UHFFFAOYSA-N 442.519 5.150 30 20 IKED CC(=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1Br 727058129 IFBZNBVNGUNJPQ-UHFFFAOYSA-N 444.354 5.086 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cn1 727339608 MHQRCJXMZAFKHT-UHFFFAOYSA-N 446.532 5.704 30 20 IKED N#C[C@H]1C(CN2CCC[C@H]2c2ccccc2C(F)(F)F)=CC(=O)n2c1nc1ccccc12 728061727 YXPNJQSOJCFPIO-PXNSSMCTSA-N 436.437 5.080 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccn(-c4ccccc4Cl)n3)cc2F)c1 728183141 PNPHPNUVOTYQFW-UHFFFAOYSA-N 446.869 5.368 30 20 IKED C[C@@H](Nc1ccc(OCc2cccnc2)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 728592064 VJMFZMZZTYJQPT-QGZVFWFLSA-N 446.576 5.302 30 20 IKED CC(C)c1ccc(-c2nc(CC(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)cs2)cc1 732107365 RJUYRVKGSHVFOA-HXUWFJFHSA-N 443.494 5.876 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(C)[C@@H](C)c2cccc(C(F)(F)F)c2)ccc1OC 733652815 GTGKVTGGMBEAON-HNAYVOBHSA-N 449.473 5.298 30 20 IKED N#CCOc1ccc(Cl)cc1CSc1nnc(Cc2ccccc2)n1-c1ccccc1 735230777 QLKQUBPSANHYMJ-UHFFFAOYSA-N 446.963 5.706 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c1=S 736594088 JKVKGSIGWCWFHD-HKUYNNGSSA-N 438.572 5.250 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CC[C@@H](c3ccccc3OC)C2)c1=S 738284927 KGQYZPYXDJMCOQ-GOSISDBHSA-N 441.000 5.376 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)NCc3ccc(Oc4ccccc4)nc3)c2)s1 740045944 PHOFEHNWNDFOLG-UHFFFAOYSA-N 440.528 5.473 30 20 IKED CN(CC(C)(C)C)C(=O)c1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 741537466 FYKQMBXSPHRWHS-VWLOTQADSA-N 439.559 5.712 30 20 IKED Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1ccccc1SCc1ccc(C#N)cc1 741817637 CBWBBBOSOBSCOC-IBGZPJMESA-N 444.556 5.651 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C\C(=O)c1c(Cl)nc2sccn12 741842700 BGVOXKIUCQYTIF-SREVYHEPSA-N 435.311 5.291 30 20 IKED Cc1ccc(C(=O)N[C@@H](C#N)c2ccccc2Br)cc1NC(=O)OC(C)(C)C 742672112 AXZTUHYWLVIGDR-SFHVURJKSA-N 444.329 5.099 30 20 IKED Cc1ncc(CO)c(C=Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c1O 743045267 ZSZGIDJKEGNUTD-UHFFFAOYSA-N 427.382 5.021 30 20 IKED C[C@@H](N/C=C1\C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21)c1cccc(C#N)c1 743246152 AFAZXXKKSLQWAE-KQRQPNSISA-N 427.891 5.090 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@]3(C)CCCN(C(=O)c4ccccc4)C3)n2)cc1 744036265 YUVDIYSQYJHYGN-LVXARBLLSA-N 443.572 5.237 30 20 IKED Cc1ccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1N1CCOC1=O 746731097 ZRSASSFCOZQRCB-UHFFFAOYSA-N 446.438 5.399 30 20 IKED COC(=O)c1ccc(/C=C(/C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cc1 747154620 IAFQEWFBWAWXPQ-RCCKNPSSSA-N 447.918 5.648 30 20 IKED CCc1ccccc1N1C(=O)/C(=C\c2ccc(OC)c(OCCCC#N)c2)SC1=S 747472889 HSAMUUCDRRZFPE-RCCKNPSSSA-N 438.574 5.346 30 20 IKED N#C[C@@H](C(=O)CCSc1ccnc2cc(Cl)ccc12)C(=O)Nc1ccc(Cl)cc1 751826307 GOVYBRNAKWIHLK-KRWDZBQOSA-N 444.343 5.371 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(CCC(F)(F)F)cc1 752477347 OHZJIGFQNDSVFV-HNNXBMFYSA-N 438.833 5.113 30 20 IKED CCOc1ccccc1-c1nnc(S)n1N=Cc1cc(C(F)(F)F)ccc1Cl 753694210 BWQCJAVJCBEZQL-UHFFFAOYSA-N 426.851 5.187 30 20 IKED Cc1csc(Nc2cccc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)c2)n1 760144814 GQBMURRKCMOVQN-UHFFFAOYSA-N 428.521 5.225 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccc2c(c1)CC(=O)N2C 761416177 ASHNPGUBXRQNAV-HNNXBMFYSA-N 445.906 5.014 30 20 IKED Cc1cc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c(Br)s1 764753375 MIELZJANELKZQB-UHFFFAOYSA-N 435.130 5.147 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN(C(=O)OC(C)(C)C)c1ccccc1 769193914 NAPMDNYIOPTUTE-QGZVFWFLSA-N 425.554 5.319 30 20 IKED C[C@H](OC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)N[C@@H](C)c1ccc(Cl)cc1 769546482 KZIDPLLMZBCOJR-IRXDYDNUSA-N 437.927 5.021 30 20 IKED C[C@H](N[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1cccc(C#N)c1 775335216 GCBMGIKUBUZPFK-OYHNWAKOSA-N 434.883 5.150 30 20 IKED Cc1ccc(-c2c[nH]cc2C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)s1 778431357 IKFSVIYMUCRQMG-OAHLLOKOSA-N 439.562 5.241 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 780579906 RNYAGCWPHKUHTI-OKXSDPAFSA-N 433.533 5.070 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl 781766495 SRSLWDAQGYOGJK-LBPRGKRZSA-N 448.693 5.571 30 20 IKED CC(C)(C)OC(=O)N1CCCCC[C@H]1c1noc([C@@H]2CCCN2c2ccc(C#N)cc2)n1 782227730 OQNRQHORLSSERN-PMACEKPBSA-N 437.544 5.135 30 20 IKED CC(C)(C)OC(=O)NCc1cccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1 786933915 DWZSSBNDWIBYGS-SFHVURJKSA-N 434.323 5.013 30 20 IKED CC[C@@H](NC(=O)[C@H](C#N)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 787047294 VKWPJHAQRSAHJZ-IAGOWNOFSA-N 442.359 5.314 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(O[C@H](C)c3ccccc3)cc2)cc1Cl 788351535 MUSMMKLAWZSJCX-IERDGZPVSA-N 448.906 5.450 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1 791582405 AXRLENHHQWYISV-HNNXBMFYSA-N 426.542 5.004 30 20 IKED N#C[C@@H](C(=O)c1cnn(Cc2ccccc2)c1Cl)c1nc2cc(Cl)ccc2s1 796810001 CYWYCJJJUOJBKB-AWEZNQCLSA-N 427.316 5.338 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCc1ccc(C#N)c(Cl)c1 801070053 ATIREQGPDUWANQ-UHFFFAOYSA-N 433.726 5.002 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 801628669 LKXFTNNPQPCUFO-QFBILLFUSA-N 446.617 5.238 30 20 IKED COc1ccc(Cl)cc1NC(=O)[C@@H](C)SCc1cc(Cl)ccc1OCC#N 808360046 TWZUSPDODIKOTP-GFCCVEGCSA-N 425.337 5.165 30 20 IKED C=C(C)[C@@H](NC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)C2)c1ccc(F)c(F)c1 814320755 CWZZFULAFQREDC-HXUWFJFHSA-N 449.542 5.015 30 20 IKED CC(=NNc1ncnc2c1cnn2-c1ccccc1)c1sc(Cc2ccccc2)nc1C 814803787 YVDOLBFXIFNDMV-UHFFFAOYSA-N 439.548 5.007 30 20 IKED CC(=O)[C@H](OC(=O)[C@@H](C)Sc1cc(C)c(C#N)c2nc3ccccc3n12)c1ccccc1 824076496 SQTHUMIBVYKRBW-HXOBKFHXSA-N 443.528 5.022 30 20 IKED N#CCCn1cc(C(=O)COC(=O)CCc2ccc(Cl)cc2Cl)c2ccccc21 912870388 UVHBBVGLSVNDST-UHFFFAOYSA-N 429.303 5.220 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Br)cc1 915351429 BNLUYNXVGOGXES-ZHRRBRCNSA-N 434.337 5.987 30 20 IKED O=C(/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc([N+](=O)[O-])cc1 916134954 ZSNLUUQZTZJCKI-WCIBSUBMSA-N 441.270 6.050 30 20 IKED Cc1cc(O[C@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1Cl 916888188 SQWSRHXUYNKPII-MLGOLLRUSA-N 438.883 5.078 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1 916897616 MTQQKEUWNVCXLY-LJQANCHMSA-N 449.850 5.310 30 20 IKED Cc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(C(C)(C)C)cc2)s1 917612045 CPKZTDHBMRJXCT-UHFFFAOYSA-O 434.610 5.837 30 20 IKED CN(Cc1csc(Br)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 920060050 IVRFBSVMTGQDCI-LJQANCHMSA-N 440.366 5.830 30 20 IKED N#C[C@@H](C(=O)CCc1cccc(Br)c1)c1nc(-c2c(F)cccc2F)cs1 920805494 CWHSSFLVNUIIJY-AWEZNQCLSA-N 447.304 5.660 30 20 IKED Cc1nn(C(F)F)c(C)c1CC(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 920875750 DLQVNEFJNJQXEJ-NGOBRMJYSA-N 444.551 5.238 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)Cc3ccccc3Cl)CCC2)cc1)C(F)(F)F 1791302032 KUYXNYWXIUQVEA-UHFFFAOYSA-N 436.861 5.135 30 20 IKED Cc1occc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792122226 GXISZDNSBGBRSY-QGZVFWFLSA-N 427.504 5.277 30 20 IKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(Cl)c(Cl)c1 1803899873 SZICVLQORUQHAG-MHEUCROKSA-N 429.775 5.111 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)CCCCC)[C@@H]1c1cccnc1 1812693989 QKZAANZAGFBZOE-WWNPGLIZSA-N 427.633 5.296 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3occc3c2)[nH]n1 1814828624 APXPTXCPGAKJIU-OAQYLSRUSA-N 432.524 5.230 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CCCCC2(F)F)n[nH]1 1815347476 YNWFXNQLECCYCD-SJLPKXTDSA-N 436.547 5.220 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2C2CC2)[nH]n1 1819310848 BZSHWZXWZMGRSV-XXBNENTESA-N 432.568 5.361 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[nH]n1 1821921509 SUCPHKVJTLWDKL-FDDCHVKYSA-N 445.567 5.231 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)c(OC)c2)CC1 1829070071 GGKZIAQQIDKLLY-QFIPXVFZSA-N 444.591 5.060 30 20 IKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 1832719222 BAVZGNGQBSLOMY-IBGZPJMESA-N 442.909 5.168 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10762030 VCEKSLWLHPJDBI-UHFFFAOYSA-O 448.008 6.058 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccc(N(C)C)cc2)cc1 22693951 JZJTZQNDLLFNDX-UHFFFAOYSA-O 448.612 5.107 30 20 IKED C=C(C)CN(CC)C(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 23610371 NVQUWMGICJHZME-INIZCTEOSA-N 444.988 5.145 30 20 IKED C=C(C)CN/C(S)=C(/C(=O)c1sc2ccccc2c1C)[n+]1ccc2c(c1)CCCC2 27310212 KDKXXFCJTGZAII-UHFFFAOYSA-O 435.638 5.481 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C)cc1OCc1ccccc1 58428077 GTQFCFQWWLIIAB-UHFFFAOYSA-N 429.520 5.126 30 20 IKED Cc1cc([C@@H](C)NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c(C)s1 63767742 KEXLHPKNTVNHRX-MRXNPFEDSA-N 449.601 5.458 30 20 IKED COc1ccc(C#N)cc1NC(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1 64455645 DFVHSZSWJLYHLR-OAQYLSRUSA-N 437.293 5.088 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2sc(N(C)C)nc2s1 64876986 JQKDRMZRGWOZQQ-UHFFFAOYSA-N 435.534 5.044 30 20 IKED Cc1n[nH]c(-c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)n1 65187029 SBBQVPKMOMWJJH-UHFFFAOYSA-N 425.517 5.196 30 20 IKED N#Cc1ccc(NC(=O)CCSc2nnc(-c3ccccc3F)n2C2CC2)cc1Cl 105419972 SWPFNPWUPOLQII-UHFFFAOYSA-N 441.919 5.065 30 20 IKED CCN(CC(=O)Nc1c(Cl)cccc1Cl)c1ccc(C#N)cc1Br 302807172 GDCTZOPVUOWAPJ-UHFFFAOYSA-N 427.129 5.093 30 20 IKED CC(C)CCN(CCC#N)C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 429033999 ZQGUHJNMANEBHN-UHFFFAOYSA-N 426.948 5.410 30 20 IKED N#CCSc1cccc(C(=O)Nc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)c1 429952316 KIMFNFULBZTPOK-UHFFFAOYSA-N 445.422 5.419 30 20 IKED Cc1occc1C(=O)Nc1cc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)ccc1F 432721548 XWWJYYRVRLQOEC-NRFANRHFSA-N 434.471 5.536 30 20 IKED Cc1cc(C)c(-c2csc(NC(=O)CN[C@H](CCCC#N)c3ccccc3)n2)c(C)c1 433018171 FONACLABFRGFJI-OAQYLSRUSA-N 432.593 5.699 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(OC)c1)c1ccc(C(F)(F)F)cc1 434813966 MACNKXRXHCTDAE-KRWDZBQOSA-N 440.849 5.130 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N(C2CC2)[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 437876177 XJOYBDFMPZVIFO-HNNXBMFYSA-N 431.458 5.379 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCCc2cnn(-c3ccccc3)c2)cc1F 438661636 PKPSAXJCURWXGN-UHFFFAOYSA-N 441.466 5.040 30 20 IKED CC(C)n1cnnc1-c1ccccc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 439656989 XQKVUSKHFZAVTK-UHFFFAOYSA-N 437.503 5.229 30 20 IKED CCCc1c(NC(=O)NCc2csc(-c3ccccc3)n2)cnn1-c1cccc(C#N)c1 439697279 VOEWCXTXSWETQO-UHFFFAOYSA-N 442.548 5.142 30 20 IKED CCCc1c(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)n2)cnn1-c1cccc(C#N)c1 440101062 SMUPGJIKPVZUAJ-UHFFFAOYSA-N 444.926 5.096 30 20 IKED Cc1ccnc(Oc2ccc(NC(=O)c3cccc(COc4ccccc4C#N)c3)cc2)n1 440799599 CBHKNEHBGRCIRQ-UHFFFAOYSA-N 436.471 5.280 30 20 IKED N#CC1CCC(CNC(=O)Nc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)CC1 440924533 JHWLBLJKRBEPIM-UHFFFAOYSA-N 434.418 5.002 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)c1C#N 445567184 QYDYPJUVYNGGBM-IRXDYDNUSA-N 442.466 5.227 30 20 IKED C=CCn1c(SCc2nc3ccc(Br)cc3o2)nnc1-c1cccs1 460874982 RFEJICISGWOLQS-UHFFFAOYSA-N 433.356 5.389 30 20 IKED COc1ccccc1[C@@H](C)SCCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 463201473 ISALCPUBNMEEKB-GOSISDBHSA-N 437.565 5.450 30 20 IKED CC[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nc(C(F)(F)F)cs1 465181135 BGYMWFHIKPOZKF-QGZVFWFLSA-N 431.439 5.707 30 20 IKED Cc1ccc(-c2nc(CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)co2)cc1 465182101 GJSIIRDWPKCWMT-UHFFFAOYSA-N 439.540 5.744 30 20 IKED CN1CCC[C@H](CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)[C@H]1c1cccs1 466097591 HNJRTFJPEIWKIJ-DVECYGJZSA-N 446.576 5.617 30 20 IKED CCOC(=O)c1nc(-c2ccccc2)oc1CSc1nc(C)cc(C(F)(F)F)c1C#N 466610489 XVKMNMCVGZWIHO-UHFFFAOYSA-N 447.438 5.405 30 20 IKED N#Cc1cccc(-c2cc(C(=O)N3CCC[C@@H]3c3cc(F)cc(Br)c3)on2)c1 469343343 REGGKSIBSWCHHY-LJQANCHMSA-N 440.272 5.092 30 20 IKED Cc1cc(Br)cc2c(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)coc12 471843407 IHRHMUKKTUJTBR-UHFFFAOYSA-N 439.309 5.059 30 20 IKED COc1ccc2cc(CN(C)C(=O)NC3CCC(Oc4ccccc4C#N)CC3)ccc2c1 479194712 UHEJCMFEUSMJLZ-UHFFFAOYSA-N 443.547 5.252 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCCOc3ccc4c(c3)NC(=O)CC4)cc2)cc1 485755462 ODKTZYXZMCSTAZ-UHFFFAOYSA-N 441.487 5.033 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCCCCC(=O)C3)s2)c(C(F)(F)F)c1 485800091 FQZPEWFURGQPEX-OAHLLOKOSA-N 435.471 5.102 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1SCc1nnc(-c2ccc(Cl)cc2Cl)o1 488736937 RDIXMVYQFPDHPK-UHFFFAOYSA-N 431.226 5.621 30 20 IKED C=CCn1c(S[C@@H](C)c2nc3ccccc3n2C(F)F)nnc1-c1cccc(OC)c1 488891742 PCXXAKKUJAKWAH-AWEZNQCLSA-N 441.507 5.738 30 20 IKED N#CCN(C(=O)CSc1nnc(Cc2ccccc2)n1C1CCCCC1)c1ccccc1 489409655 XNSXRCMZQRWLKJ-UHFFFAOYSA-N 445.592 5.023 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1C 497360855 DYGHJLTZWLTTKV-UHFFFAOYSA-N 444.869 5.588 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ncon2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 499597022 ZVTMOAIERUBTPI-HNNXBMFYSA-N 441.299 5.657 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(Cc1ccccc1Cl)CC1CC1 506975353 YAGJSTCZCJLBKK-MRXNPFEDSA-N 441.984 5.112 30 20 IKED N#Cc1ccccc1COc1cccc(CN[C@@H]2CCCc3cn(C4CCCC4)nc32)c1 507911466 ZJASYNFQHFOFJQ-AREMUKBSSA-N 426.564 5.616 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)cc1 507939305 POKIHXPIHGGDJK-UHFFFAOYSA-N 433.895 5.153 30 20 IKED CN(C)Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)oc2ccccc12 510488325 HICLIPMHXBBAIT-UHFFFAOYSA-N 445.906 6.064 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)CCc3ccc(Cl)c(Cl)c3)s2)cc1 510971787 ZMMNFPGYHCQQPF-UHFFFAOYSA-N 449.388 5.580 30 20 IKED CCOc1ccc(CN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 511423189 XBKFYVBVFBIVFX-UHFFFAOYSA-N 429.520 5.394 30 20 IKED C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 512319459 HZVDHABLXHGAHE-CJAUYULYSA-N 441.506 5.134 30 20 IKED CN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H]1CCc2ccccc2C1 512730020 LZRJUTUYNFBAAH-VWLOTQADSA-N 425.532 5.353 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 513496658 IOCDQMNNHBXVSI-UHFFFAOYSA-N 431.945 5.083 30 20 IKED N#C[C@H](C(=O)c1cccc(C(=O)Nc2ccccc2)c1)c1nc2ccccc2n1C(F)F 513664997 AVWIMAZGTBVPOU-GOSISDBHSA-N 430.414 5.174 30 20 IKED Cc1nc(CN(C(=O)c2ccc(COc3ccccc3C#N)o2)c2ccc(F)cc2)cs1 515701724 ZRHRNRGCPBCGPP-UHFFFAOYSA-N 447.491 5.481 30 20 IKED CCN(Cc1ccc(OC)c(OC)c1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 517131879 JJXFCCKXVKXXOX-UHFFFAOYSA-N 431.492 5.422 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1 517590509 JLAKBRUVANVVSA-UHFFFAOYSA-N 433.467 5.369 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1csc(-c2ccoc2)n1 518128439 UOUWXDPFEBJFPR-UHFFFAOYSA-N 444.969 5.705 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)[C@H]3CCCN(c4ncccc4C(F)(F)F)C3)c2C#N)C1 518172008 LEYICMFDOGDSFK-KBPBESRZSA-N 448.514 5.013 30 20 IKED COc1cccc(C[C@H]2CCCN2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 519192772 QPXFCFNKEDHJMZ-JOCHJYFZSA-N 427.504 5.598 30 20 IKED CCc1nc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cs1 523627236 NTYQLDIGBJEJAI-CYBMUJFWSA-N 426.929 5.906 30 20 IKED CC[C@@H](C)n1ncc2c(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc(C)nc21 523959587 YAIFUIKXYQDTQV-KDOFPFPSSA-N 449.967 5.978 30 20 IKED CC[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1nnc2n1CCCCC2 523974981 SNMRGTODBQLURS-HXUWFJFHSA-N 449.942 5.203 30 20 IKED C[C@@](C#N)(CCc1ccccc1)NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 533505202 FCDAEEXCYSBWBN-SANMLTNESA-N 440.572 5.271 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 534958830 ILRUQQQPNRJHJV-UHFFFAOYSA-N 426.432 5.088 30 20 IKED C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 537247708 SHBFZIUZBRVLIE-APPDUMDISA-N 435.339 5.473 30 20 IKED Fc1cccc(F)c1-c1nc(CN[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)co1 539421619 PQKDUPLJKFDALC-MRXNPFEDSA-N 436.302 6.032 30 20 IKED Cc1cc(NC(=O)N[C@H](c2ccc(Cl)cc2)c2ccccc2Cl)nn1CCC#N 540814826 GVFNCFNHXMDWBF-HXUWFJFHSA-N 428.323 5.323 30 20 IKED Cc1noc(-c2ccc(C)c(NC(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)c2)n1 541088678 OFZYVJYGPOOOAE-KRWDZBQOSA-N 437.503 5.775 30 20 IKED COc1ccc(C#N)cc1CN[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C 541645692 LSTIZQDUPHQCAD-CYBMUJFWSA-N 442.382 5.612 30 20 IKED C[C@@H](NC(=O)N[C@H](c1ccccc1)c1ccncc1)c1ccc(-c2cccc(C#N)c2)cc1 543018623 XPQBZGJPSZJBOW-NFQMXDRXSA-N 432.527 5.770 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C 548154811 CXYUONDWCGOWAW-UHFFFAOYSA-N 433.021 5.072 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 549197427 UDNOKWPHHBLAOJ-GFCCVEGCSA-N 448.737 5.019 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)N(C)Cc1cccc(C#N)c1 564194563 OZLGHBIVWQWGAH-UHFFFAOYSA-N 430.508 5.946 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Cl)c2C#N)C1 570746102 VKMTWRJEQRFICY-ZDUSSCGKSA-N 444.000 5.313 30 20 IKED N#Cc1cc(Oc2ccc(NCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)cc2)ccn1 571310440 PKKAZPXQKNJTPD-UHFFFAOYSA-N 446.816 5.468 30 20 IKED CC1(C(=O)Nc2ccc3c(cnn3C(F)F)c2)CCN(c2ccc(Cl)cc2C#N)CC1 587982159 HUQYATPTNVRDSL-UHFFFAOYSA-N 443.885 5.202 30 20 IKED Cc1nc(C(=O)N2C[C@H](c3ccccc3Cl)c3c([nH]c4ccccc34)[C@@H]2C)ccc1C#N 603568374 LEHVKIUTWOACBI-OXJNMPFZSA-N 440.934 5.745 30 20 IKED CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1 603692021 OTRCUEREHRNGED-KRWDZBQOSA-N 443.507 5.052 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1ccc(CC#N)cc1 603785006 MUTXMFWRBIFLLR-UHFFFAOYSA-N 427.888 5.420 30 20 IKED C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 609028602 IGBLNNLIQJOICR-HXOBKFHXSA-N 447.516 5.035 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 609387058 IEXPJCGCTZTMAR-OAHLLOKOSA-N 449.542 6.275 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(COCc2ccccc2)c1 609436801 UKKHBJFQXNSVDZ-HXUWFJFHSA-N 445.588 6.119 30 20 IKED N#Cc1c(NC(=O)CCSc2ccc3c(c2)OCCO3)sc2c1-c1ccccc1CC2 609968958 FZNWLVIGNUEJJF-UHFFFAOYSA-N 448.569 5.277 30 20 IKED COc1ccc(SCCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC 610116816 QAWZYZOEQKCRJC-UHFFFAOYSA-N 448.544 5.797 30 20 IKED CCN(CC)[C@H](CNC(=O)N[C@H](C)c1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 610401235 MCTLBWVEZZTZDS-IIBYNOLFSA-N 432.490 5.020 30 20 IKED N#C[C@@H](C(=O)c1cn(-c2ccc(Cl)cc2)nn1)c1nc(-c2ccc(Cl)cc2)cs1 613319743 MSZMYHFGMOXXNP-INIZCTEOSA-N 440.315 5.188 30 20 IKED C=CCn1c(S[C@@H](C)c2nc3ccccc3n2C(F)F)nc2cc(Cl)ccc2c1=O 648039184 KFSOMUWCWUEOIF-LBPRGKRZSA-N 446.910 5.834 30 20 IKED CC(C)(NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)c(F)c1 674328526 LMGOIQRQJIRPJZ-GHMZBOCLSA-N 432.355 5.409 30 20 IKED C=C(C)[C@H](CC(=O)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1)OCC 677304908 FNDXYKAKMSPSDP-RPWUZVMVSA-N 441.616 5.073 30 20 IKED C=CCC[C@@H](Nc1ncnc2ccc(S(C)(=O)=O)cc12)c1ccc(C(F)(F)F)cc1 683393291 RUOSQMCDVMEKNI-GOSISDBHSA-N 435.471 5.172 30 20 IKED COc1ccc(OC)c(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 726489512 OGFAUUDNHFFITQ-UHFFFAOYSA-N 435.505 5.185 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cccc(CN(C)Cc2ccccc2)c1 726754632 OSKIOFHRQXKAQI-UHFFFAOYSA-N 434.543 5.068 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 726755452 NQTCNHHZFJNVHM-UHFFFAOYSA-N 448.548 5.482 30 20 IKED COc1ccccc1/C(C)=C/C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 727627006 JRGHSQLABPTZQS-VEMDQMBVSA-N 443.355 6.405 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C\c1cccc(OC2CCCC2)c1 727953330 FNPMFTSDDRZSCO-URYZVYFESA-N 430.548 5.494 30 20 IKED COc1ccc(C[C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC 730130234 IMUYYVKWPHAGHI-MBSDFSHPSA-N 429.520 5.112 30 20 IKED COc1ccc2oc([C@@H](C)NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c(C)c2c1 730133967 YZKPFSXRZFWMGN-KOSHJBKYSA-N 439.515 6.288 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 730245525 MPYREZPJTNIBMJ-SFHVURJKSA-N 449.551 5.116 30 20 IKED N#C[C@H](C(=O)CCc1cc(Br)cs1)C(=O)Nc1cc(Cl)cc(Cl)c1 730688172 SNSFEFUDMLKJDS-CQSZACIVSA-N 446.153 5.098 30 20 IKED COc1ccccc1[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 731109127 NGYWDTJSZRRKPN-XCZPVHLTSA-N 447.538 6.262 30 20 IKED COc1ccc(-n2c(SCc3ccc(OCC#N)cc3)nnc2-c2cccc(C)c2)cc1 731156039 FUGSJRDXKXBMHZ-UHFFFAOYSA-N 442.544 5.446 30 20 IKED N#Cc1ccc(OCCCSCc2nc(-c3ccc(Br)s3)no2)cc1 734004523 MRGISPYUHCLJDZ-UHFFFAOYSA-N 436.356 5.135 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2c(Cl)nc3ccccn23)cs1 737446541 VEWQSCGAVTVFEB-YFHOEESVSA-N 440.887 5.164 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c(Cl)c1 740777206 ILNCLEKUWITLGE-UHFFFAOYSA-N 447.922 5.734 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C 741636438 KVOQRBJDSGLTJH-UHFFFAOYSA-N 434.496 5.144 30 20 IKED C/C(=C\C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F 741909205 FYNDOOBPEFOHOU-QEFZOKHDSA-N 433.314 5.698 30 20 IKED C[C@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Br)s1 742537504 KXYUZNFCAWNCHQ-KSSFIOAISA-N 425.351 5.908 30 20 IKED N#C[C@@H](C(=O)C1CCN(C(=O)c2ccccc2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 744036241 YMEPFKLGYRGUDP-FQEVSTJZSA-N 449.963 5.192 30 20 IKED O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccncc1)c1ccc(-c2ccncc2)cc1 745989818 BICHIPGUPAOFGC-ZHACJKMWSA-N 428.495 5.892 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 747201336 SNSKMQICGJMMMS-FQEVSTJZSA-N 437.430 5.629 30 20 IKED O=C(OCCC(F)(F)F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 748135332 FGNHMXPAHDVGIY-YQHILTGPSA-N 426.319 5.604 30 20 IKED C[C@@H](OC(=O)c1ccc(Sc2ccccc2C#N)cc1)C(=O)Nc1c(F)cccc1F 748234547 FQDMTGBPAFPUJT-CQSZACIVSA-N 438.455 5.172 30 20 IKED Cc1oc(-c2ccco2)nc1CC(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 750396695 FENRZCYKEANJLP-NGALLESISA-N 447.560 5.586 30 20 IKED C#CCN(C(=O)N[C@@H](C)CCCC(F)(F)F)[C@H]1CCOc2ccc(Br)cc21 755298607 QRPJDDXNJPXZIB-BBRMVZONSA-N 447.295 5.039 30 20 IKED Cc1sc([C@@H](C)NC(=O)Nc2cccc(OCC#N)c2)nc1-c1ccc(Cl)cc1 755783303 OGRRWQSJXDMDFX-CYBMUJFWSA-N 426.929 5.557 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2nc(C(F)(F)F)cs2)cs1 755906354 XZDCTCQKIFMPSF-UHFFFAOYSA-N 445.879 5.402 30 20 IKED N#C[C@@H](C(=O)/C=C/c1ccc2ccc(Cl)cc2n1)C(=O)Nc1ccc(Cl)cc1Cl 759214205 QWVBRMUAKGSAGL-BVBGJJFLSA-N 444.705 5.556 30 20 IKED Cc1ccccc1C(NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1ccccc1C 760895538 WDMLEUSPJPCAIM-HSZRJFAPSA-N 432.527 5.220 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)Nc3ccnc(Oc4ccccc4Cl)c3)CCO2)c1 761869362 AARDEYZZWTZUIG-OAQYLSRUSA-N 434.883 5.004 30 20 IKED C/C(=C/c1c(Cl)cccc1Cl)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 766457534 LBFZFEIRFPXLKW-QINSGFPZSA-N 442.346 5.146 30 20 IKED C[C@H](OC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1nc(-c2ccccc2)cs1 767984455 PWINDEMEDSSLMR-SFHVURJKSA-N 433.533 5.141 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@H](O)c1ccc(Cl)cc1 771571457 ZSJLIKAWRVOEED-SFHVURJKSA-N 436.364 5.176 30 20 IKED CC[C@@H](Cc1ccccc1Br)N(C)C(=S)Nc1ccc(C#N)c(Cl)c1 774259136 VVRNLNFPMAMMNA-INIZCTEOSA-N 436.806 5.624 30 20 IKED COc1ccc([C@@H](N[C@H](C)c2ccc(OCC#N)cc2)c2ccccc2Cl)c(OC)c1 776162355 FUBZSOYRYNKTSM-NSYGIPOTSA-N 436.939 5.700 30 20 IKED CCCOc1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1Cl 783236752 HSMOJMSZTHORGI-NRFANRHFSA-N 447.922 5.361 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2cccc(SC(F)F)c2)cc1 784322785 NSSKFBIAOKOUCR-HXUWFJFHSA-N 437.471 5.234 30 20 IKED COc1ccccc1-c1csc(C2CCN(Cc3ccc(O[C@H](C)C#N)cc3)CC2)n1 792200036 GMPGLXVVNKAGQX-GOSISDBHSA-N 433.577 5.489 30 20 IKED COc1ccccc1-c1ncc(/C=C\C(=O)c2sc(-c3ccc(F)cc3)nc2C)cn1 792882003 BMIDKUQIUIECBL-GHXNOFRVSA-N 431.492 5.619 30 20 IKED COc1ccccc1-c1ncc(/C=C\C(=O)c2sc(-c3ccccc3F)nc2C)cn1 792883956 NIMKLIKTKYVLPN-QXMHVHEDSA-N 431.492 5.619 30 20 IKED C[C@@H](OC(=O)C[C@H](CC#N)c1ccccc1)C(=O)Nc1ccccc1Cc1ccccc1 795979688 DFUGOIMZZRLJGN-OFNKIYASSA-N 426.516 5.235 30 20 IKED O=C([C@H](F)c1ccc(C(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 801666151 NVXBBGKUFNQUGW-SDDRHHMPSA-N 425.266 5.305 30 20 IKED O=C(OCc1nc(O)c2ccc(C(F)(F)F)cc2n1)[C@@H](F)c1ccc(C(F)(F)F)cc1 801896740 CFSYXQULYOMZES-HNNXBMFYSA-N 448.294 5.127 30 20 IKED C#Cc1cc(F)c(NC(=O)C(=O)Nc2ccc([C@@H](C)Sc3ccccc3)cc2)c(F)c1 802573978 YWJIHHCRFGRVFX-OAHLLOKOSA-N 436.483 5.377 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 806889575 ZKPZXLHKGYITOU-MRXNPFEDSA-N 442.951 5.016 30 20 IKED Cc1ccc2snc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c2c1 815907432 ALQUBNPJXBJBPJ-GOSISDBHSA-N 427.485 5.358 30 20 IKED N#C[C@H](C(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1nc2ccccc2s1 915098221 MHYFEEKULRIUFT-GOSISDBHSA-N 438.512 5.101 30 20 IKED COc1ccc(NC(=O)c2c(NC(=O)c3cccc(CC#N)c3)sc3c2CCCC3)cc1 915811695 WQSXFLBFSNINHX-UHFFFAOYSA-N 445.544 5.206 30 20 IKED CCOC(=O)N1C/C(=C/c2ccc3ncccc3c2)C(=O)/C(=C\c2ccc3ncccc3c2)C1 916137496 ZKSSQMJHRCITMP-MPKYGIEOSA-N 449.510 5.291 30 20 IKED CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OCC)cc1 916214123 JFZYRPJFBIOHJH-NRFANRHFSA-N 439.581 5.072 30 20 IKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)CCCc1ccc(Cl)c(Cl)c1 917506536 AKFQFKZGWJGAKG-HNNXBMFYSA-N 449.334 5.030 30 20 IKED COc1cccc2cc(C(=O)/C=C\c3csc(N(C(C)=O)c4ccc(C)cc4)n3)oc12 917559736 NADVPIJMQNUGNZ-XFXZXTDPSA-N 432.501 5.787 30 20 IKED CCOC(=O)C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(F)cc1 920872648 OVZWQZLJJIIHSO-RPWUZVMVSA-N 445.494 5.297 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)C(F)(F)c2cccc(Cl)c2)cc1 921004239 BREMYRMQASKXHB-UHFFFAOYSA-N 426.850 5.716 30 20 IKED Cc1cc(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)c(C)n1Cc1ccccc1 921180251 GNGMVIJHMUQBFZ-UHFFFAOYSA-N 439.515 5.061 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4nccc-4c3)CCC2)cc1 1785842197 TXBZFWULNWSXCK-UHFFFAOYSA-N 430.552 5.255 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)cc3F)cc2)CCC1 1785943477 WRBMNPDCYWNGJW-HNNXBMFYSA-N 445.922 5.028 30 20 IKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)C34CC(F)(C3)C4)cc2)CCC1 1786423122 MOQGPWKURZDXIZ-UHFFFAOYSA-N 440.635 5.064 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ccc(OC)cc34)cc2)CCC1 1789273851 KILXDJFKCGNJKI-KRWDZBQOSA-N 431.536 5.136 30 20 IKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)c(Cl)cc3F)CCC2)cc1 1791580776 JBOHWBCNVOIVQT-NSHDSACASA-N 441.355 5.199 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(F)cccc2Cl)n[nH]1 1820431080 ZPYLRGIMLWLXAX-HNAYVOBHSA-N 444.938 5.277 30 20 IKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C(C)(C)C)oc2C)[nH]n1 1821985429 OQPPGGMZYMAMDV-QGZVFWFLSA-N 448.514 5.126 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccsc3[nH]2)CC1 1823753466 PXUQFJXAXLQGEU-NRFANRHFSA-N 441.641 5.455 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sccc2OCC)CC1 1824137850 PTVNBSCMJXBOOX-NRFANRHFSA-N 444.641 5.149 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)CC1 1828045202 ZJSCFPASMXCQRC-ILBGXUMGSA-N 433.596 5.170 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)c(F)c2C)CC1 1828829309 GSABBZFCYVBAJR-REWPJTCUSA-N 444.566 5.275 30 20 IKED C=CCn1c(SCC(=O)N2C[C@@H](C)C[C@@H](C)C2)nnc1-c1ccc(Cl)cc1Cl 11149419 YCCOINALSPPFQK-OKILXGFUSA-N 439.412 5.035 30 20 IKED CCc1cccc(CC)c1/N=C1\NC(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)S1 15231691 QPHLJDKQGBTYFE-GOSISDBHSA-N 429.973 5.021 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 20409506 ZUUCFCOAQKPKSP-MRXNPFEDSA-N 426.973 5.062 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2cccc(C)c2)cc1 22727248 XFEIBBFSMSXGCJ-UHFFFAOYSA-O 427.496 5.010 30 20 IKED Cc1ccc(F)c(NC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)c1 63654100 RRALEEYZPLVZBY-UHFFFAOYSA-N 425.300 5.269 30 20 IKED C=CCN(C(=O)CCNC(=O)c1ccc2ccccc2c1)c1nc(-c2ccccc2)cs1 71860966 OOMBYBIKEWSWRX-UHFFFAOYSA-N 441.556 5.302 30 20 IKED N#C[C@@H](C(=O)c1ccc(C2SCCCS2)cc1)c1nc2cc(Cl)ccc2s1 195664166 PQBBIEQXHYJGJY-HNNXBMFYSA-N 431.007 6.308 30 20 IKED N#Cc1ccc(/C=C2/CC3(C/C(=C/c4ccc(C#N)cc4)C2=O)C(=O)Nc2ccccc23)cc1 206411317 YTEJROWLENHHFL-GACBQCINSA-N 441.490 5.150 30 20 IKED C[C@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 429090853 GDZZVMJYRBZEBK-FQEVSTJZSA-N 445.526 5.493 30 20 IKED Cc1ccc(-c2cccnc2)cc1NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 432796996 JMNZOZVYPLSXEO-UHFFFAOYSA-N 426.520 5.440 30 20 IKED CCn1nccc1C1CCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 434372033 KEMFVCJIYLNZQL-IBGZPJMESA-N 427.552 5.092 30 20 IKED CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 435866894 XUJJELQGXCBYPT-LJQANCHMSA-N 446.620 5.298 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 436348039 ZNPFDTDCKMXJAC-WIYYLYMNSA-N 449.963 5.566 30 20 IKED CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 437828589 MOXZDDZHZXMOTF-JOCHJYFZSA-N 440.547 5.336 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 438076154 PSWALGXHRCOGEJ-CBGDNZLLSA-N 428.627 5.204 30 20 IKED N#Cc1ccc(CSc2nnc(COc3ccccc3Cl)n2C2CC2)c(Cl)c1 438808477 GGTGHHHKZPHOCU-UHFFFAOYSA-N 431.348 5.663 30 20 IKED N#CCC[C@H](NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1 439663456 FQSZGDCJOJBJMP-IBGZPJMESA-N 429.467 5.533 30 20 IKED N#CCC[C@@H](NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccccc1 439669479 CMKKEIYDGYUKPD-DNQXCXABSA-N 445.950 5.362 30 20 IKED C[C@H](Sc1ccccc1C#N)C(=O)Nc1ccc(Br)cc1Br 439697589 VQXSZBXVZUYTIL-JTQLQIEISA-N 440.160 5.203 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)c2ccccc21 444021039 HIHZKSSTLAJSPB-UHFFFAOYSA-N 444.922 5.061 30 20 IKED CC[C@@H](c1ccccc1)N1CC(=O)N(c2cccc(COc3ccc(CC#N)cc3)c2)C1=O 445892804 FKSNSBIYGWPGPA-VWLOTQADSA-N 439.515 5.252 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C)n(Cc4ccncc4)c3C)n2)cc1 460366889 BIHSVSMWAAZADF-JOCHJYFZSA-N 442.544 5.170 30 20 IKED CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)[C@H](C)c2cccc(C#N)c2)c1 463268782 WOPFOTFYSRAYCE-WOJBJXKFSA-N 425.532 5.410 30 20 IKED COc1ccc([C@H](C)CCNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 466032729 GKURFGHYKMLDDB-GOSISDBHSA-N 442.519 5.134 30 20 IKED CCCc1c(NC(=O)Nc2cnn(-c3ccccc3)c2CC)cnn1-c1cccc(C#N)c1 466719013 PMGFUBJBEPRVPI-UHFFFAOYSA-N 439.523 5.089 30 20 IKED CC(C)(C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1 468067088 ADFPBQHWNQYYSM-UHFFFAOYSA-N 434.517 5.175 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)c1 468647923 MHJHPEYOPVZKFD-LADGPHEKSA-N 435.911 5.071 30 20 IKED C[C@@H](O)C[C@@H](CNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccccc1 468849604 GCCYBWRZYLRWKZ-UTKZUKDTSA-N 434.923 5.288 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)CCCCOc1cccc(C#N)c1 469350305 KELBHYBINVMVCU-IBGZPJMESA-N 433.577 5.759 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3cc(C4CC4)nc4ccc(F)cc34)ccc21 469949316 VLWAWKFQBNCCGS-UHFFFAOYSA-N 442.494 5.087 30 20 IKED C[C@@H](CC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(C(F)(F)F)cc1 469949318 VNOQHKXJHBZJEX-INIZCTEOSA-N 443.469 5.421 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(Cl)c(I)c2)n1 474437658 HJGZPYGERLZBJW-JTQLQIEISA-N 430.698 5.015 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N(CC(=O)Nc2ccccc2F)Cc2ccccc2F)cc1 474961546 GPYOZFRIMMELKT-UHFFFAOYSA-N 447.485 5.047 30 20 IKED Cc1sc([C@H](C)NC(=O)[C@H](C)Oc2ccc(C#N)cc2)nc1-c1ccc(Cl)cc1 479213445 VAAHLRHLYKSBDX-KBPBESRZSA-N 425.941 5.288 30 20 IKED Cn1cc(CNCc2ccc(-c3nc4ccccc4s3)o2)c(-c2ccc(C#N)cc2)n1 479923395 XPGRNHRMLGLYMK-UHFFFAOYSA-N 425.517 5.118 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4cnc5ccccc5n4)cc3)o2)c1 483209408 BIRCFJXZEJLGIG-HXUWFJFHSA-N 431.455 5.145 30 20 IKED C=C(C)Cn1c(S[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1ccncc1 489410021 YFLXVZLAKACPLP-AWEZNQCLSA-N 447.486 5.054 30 20 IKED N#Cc1cccc(-c2cnc(CNC(=O)c3sc4cc(Cl)ccc4c3Cl)[nH]2)c1 493931548 CHXRWEOKFQUBCA-UHFFFAOYSA-N 427.316 5.400 30 20 IKED C[C@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@@H](c2cccc(C(F)(F)F)c2)O1 493985787 OXMPDTIYSDRBDQ-KSSFIOAISA-N 434.462 5.127 30 20 IKED C/C(=C\c1ccccc1)CN(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 494510404 MGOUZCFKJYIISK-FOWTUZBSSA-N 435.578 5.269 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1nc(-c2ccco2)cs1)c1ccc(C(F)(F)F)cc1 499430664 CWEIAJYVOBMLIU-HNNXBMFYSA-N 449.454 5.184 30 20 IKED CC1(C#N)CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 506302396 UICAQYWXYQWBQG-UHFFFAOYSA-N 430.430 5.115 30 20 IKED C=CCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 508740171 OSDCSMABNUSYIX-FXAWDEMLSA-N 426.611 5.093 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3cc(C#N)ccc3OC(C)C)cc12 509563208 DHQBEXDAPUPARR-UHFFFAOYSA-N 448.523 5.505 30 20 IKED N#Cc1cccc(CNC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 509858231 MCFIMZIVAZEATH-UHFFFAOYSA-N 425.513 5.289 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N(Cc3ccccc3F)C3CC3)s2)cc1 510245400 WNVLUKCTWBMPIS-UHFFFAOYSA-N 439.541 5.038 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)cc1 512888245 GZBCFYVTSTVVQV-UHFFFAOYSA-N 430.335 5.230 30 20 IKED CC(C)N(Cc1cccs1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 513984229 ZYZODXWFJACTPB-UHFFFAOYSA-N 429.596 5.206 30 20 IKED C[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1ccc(Cl)cc1Cl 515517076 CGTBNSWEFGGVAP-OAHLLOKOSA-N 440.330 5.883 30 20 IKED N#C[C@@H](C(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1nc2ccccc2n1C(F)F 515540077 HFBQAMANBVTZNR-SFHVURJKSA-N 436.462 5.440 30 20 IKED CC(C)c1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccc(F)cc1 515540256 RVVBCIZVLQLYOD-MRXNPFEDSA-N 437.425 5.370 30 20 IKED C[C@H]1CCc2[nH]c3ccc(C(=O)[C@H](C#N)c4nc(-c5ccc(C#N)cc5)cs4)cc3c2C1 516270412 XQPMZWSKAVTGPS-BTYIYWSLSA-N 436.540 5.778 30 20 IKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1nc(-c2ccncc2)cs1 516331059 AKMBRSWAWUVFNR-FQEVSTJZSA-N 442.475 5.087 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2 516641148 QYERYJHQFCJDCX-MRXNPFEDSA-N 426.476 5.036 30 20 IKED CCOC(=O)C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(F)cc1 518259870 QRNCODTTZOINAL-BEFAXECRSA-N 429.517 5.036 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(F)cc(Br)c3)n2)cc1 518516570 KVXZQNFIJUXFDO-MRXNPFEDSA-N 431.286 5.210 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 518659587 WNGFELJAYGHWLG-INIZCTEOSA-N 432.505 5.842 30 20 IKED C=CCOc1c(Br)cc(CN[C@H]2CCCOc3ccccc32)cc1OCC 520956968 UFKAUSNRRFADJT-IBGZPJMESA-N 432.358 5.416 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3C[C@@H]3c3ccc4ccccc4c3)s2)cc1 521752578 XACNAQSQDQKTEY-NHCUHLMSSA-N 442.569 5.597 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cc(Br)cnc2O)c1 523946816 LTGWTELTDFSJEJ-UHFFFAOYSA-N 444.672 5.119 30 20 IKED CC[C@@H](c1ccccc1)c1nnc(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)o1 524311932 QRIJWKWAPJGWIG-WQASXFKFSA-N 426.586 5.023 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)N(C[C@H](C)C#N)C1CC1 532818956 YPWVHNBOVVTYGZ-MRXNPFEDSA-N 433.531 5.888 30 20 IKED N#Cc1c(NC(=O)c2cc(N3CCCC3=O)ccc2Cl)sc2c1-c1ccccc1CC2 534084708 XKKPULICCAQQNA-UHFFFAOYSA-N 447.947 5.418 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cs1 538727765 VOUUYUIYCSFKBR-BJKOFHAPSA-N 430.577 5.408 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1 541800216 XKVCQMQYLIPQRJ-UHFFFAOYSA-N 430.556 5.127 30 20 IKED COCCOc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(C)c1 542948346 UDYDJAUQWDAMHB-IBGZPJMESA-N 429.520 5.442 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCc2ccc(F)c(F)c2F)cc1 544304956 BFGUJGHIWRVUDM-UHFFFAOYSA-N 426.463 5.240 30 20 IKED C=CCN(C(=O)c1csc(C(C)(C)C)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 549086653 DTYPJMONGTUQFK-UHFFFAOYSA-N 428.539 5.305 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 557589183 TYJLXUJVCLISHP-UHFFFAOYSA-N 437.348 5.421 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(OC2CCCC2)CC1 558981307 ZZQGXFCOALNLSW-SFHVURJKSA-N 445.007 5.576 30 20 IKED C=CCN(C(=O)c1cnc(COC)s1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 567539774 PZOPIXHHYKDTGJ-UHFFFAOYSA-N 447.585 5.913 30 20 IKED CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1 569161945 QUXYDMOJNYJGHB-UHFFFAOYSA-N 432.455 5.122 30 20 IKED FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1noc(-c2ccoc2C(F)(F)F)n1 572710087 AJJXYRDFDQVYEI-UHFFFAOYSA-N 447.213 5.370 30 20 IKED N#Cc1ccsc1NC(=O)CCNC1(c2noc(C3CCCCC3)n2)CCCCCC1 574239508 FVUXSHZKTAKEBQ-UHFFFAOYSA-N 441.601 5.218 30 20 IKED C=CCn1c(-c2ccc3ccccc3c2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 578820997 XCMYRRVNRTYSEP-FZEVHQGJSA-N 430.577 5.219 30 20 IKED Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 590275694 JGYXXQLPGBAOGA-UHFFFAOYSA-N 426.516 5.664 30 20 IKED C[C@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)N(CCC#N)c1ccccc1 594669204 FDNCCCKBPMPTNU-IBGZPJMESA-N 438.556 5.724 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H](c4nc5ccccc5o4)C3)cn2)c1 603691113 AKWDOIBSSAEACK-GOSISDBHSA-N 439.475 5.298 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(-n4nccc4C(F)(F)F)c3)cn2)cc1 604533843 USAZIDRMJQYGBF-UHFFFAOYSA-N 449.392 5.202 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)ccc1OCc1ccc(Cl)cc1 605363608 OKJZGDQCVJVXLQ-LJQANCHMSA-N 445.906 5.602 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H](OCC(F)(F)F)C1 609078842 AFOUJLDXJDNWCO-HXUWFJFHSA-N 447.457 5.021 30 20 IKED CN1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)Cc2ccccc21 609080085 SGGYRFWSXHVKLE-UHFFFAOYSA-N 446.938 5.275 30 20 IKED Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cn2)n1 609378311 BOTQDKFGUNXDGM-UHFFFAOYSA-N 445.470 5.161 30 20 IKED COc1cccc(Oc2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cc2)c1 609501165 VKCZYEPEUUJHGY-UHFFFAOYSA-N 437.455 5.799 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cnn1-c1ccccc1Cl 609563432 RJXUPTUSVBHSLA-UHFFFAOYSA-N 429.867 5.145 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 609731457 SZVRQVFAUVYAGV-UHFFFAOYSA-N 445.906 5.963 30 20 IKED C=CCN(C(=O)C[C@H]1CCOc2ccccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 609783911 SGCVQKVLHIIQNI-QGZVFWFLSA-N 435.505 5.194 30 20 IKED CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 609811192 TUJQSYTYGSGNIG-PGRDOPGGSA-N 442.629 5.116 30 20 IKED CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 610174693 WLEXRASJRQGQAN-UHFFFAOYSA-N 433.895 5.851 30 20 IKED CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@@H]1CCCc2c1cnn2C 610972926 SQIFACULHNDKBU-DENIHFKCSA-N 433.943 5.270 30 20 IKED N#Cc1ccc(CSc2nnc(-c3ccc(OC(F)F)cc3)o2)c(Br)c1 611491417 LPKPVWDIMBKMFS-UHFFFAOYSA-N 438.253 5.264 30 20 IKED Cc1noc(CSc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc2)n1 613392600 VXDWOPWUJLPFSY-SFHVURJKSA-N 432.530 5.284 30 20 IKED CCOc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc(OCC)c1OCC 613402578 CWXDYVZASFUHGE-OAHLLOKOSA-N 444.940 5.636 30 20 IKED CCCc1c(NC(=O)Nc2ccn([C@H](C)c3ccccc3)n2)cnn1-c1cccc(C#N)c1 615256088 WYNAQLUMPIVKAN-GOSISDBHSA-N 439.523 5.146 30 20 IKED N#CCCCn1cc(C(=O)N2CC(Cc3ccc(C(F)(F)F)cc3)C2)c2ccccc21 618229291 VJLXMKUZIDOZRB-UHFFFAOYSA-N 425.454 5.279 30 20 IKED N#C[C@@H](C(=O)c1ccc(COc2ccccc2)cc1)c1nc(-c2c(F)cccc2F)cs1 620304127 DBXBJEPMAVPYSP-IBGZPJMESA-N 446.478 6.157 30 20 IKED N#C[C@H](C(=O)c1ccc(CN2CCCC2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 672581917 UCVFRRAFMYZLSL-QGZVFWFLSA-N 429.467 5.401 30 20 IKED O=C(NC[C@H](c1ccccc1)C(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 681612985 UOYNYGWPNVGMNF-JHJVBQTASA-N 436.318 5.105 30 20 IKED CCn1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C(F)(F)F)n1 684768456 HRIRVNJCBBBMGR-VIFPVBQESA-N 432.349 5.040 30 20 IKED CN(CCc1cccc2ccccc12)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 726299149 APKSEAGKABOJAL-MHZLTWQESA-N 447.538 5.135 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)cc1 728687182 DPVFRSCPDZVBNX-HOFKKMOUSA-N 438.575 5.028 30 20 IKED CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 729319440 KQNXZBFWMCMTQA-ICSRJNTNSA-N 427.932 5.237 30 20 IKED Cc1nc(-c2ccccc2)ccc1C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 731067745 GNELXTVAFSAULM-QGZVFWFLSA-N 445.544 5.104 30 20 IKED COc1ccc2c(C)c(CCC(=O)Nc3ccccc3S[C@@H](C)CC#N)c(=O)oc2c1 731332603 PBYOVHCOMYYAMZ-HNNXBMFYSA-N 436.533 5.076 30 20 IKED C[C@@H](OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nnc(-c2cccs2)o1 732377450 MSQMPJWGLLFDJW-OAHLLOKOSA-N 431.473 5.574 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccccc2CN(C)C2CCCCC2)c1 733802263 YGYMGQVNOOJCAJ-VWLOTQADSA-N 448.611 5.131 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cccc(COc2ccccc2C#N)c1 734228779 YGKHOOSDKFMGGO-JOCHJYFZSA-N 433.467 5.132 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(OCc3cccc(C)c3)cc2)cs1)C1CC1 734304433 JJXQKSMTKDSLRK-MDWZMJQESA-N 432.545 5.442 30 20 IKED O=C(/C(=C\c1ccc(F)cc1)c1cccs1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 735261840 BSYLQIFYLFJLPO-UVTDQMKNSA-N 437.380 5.771 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(Cl)ccc1OCC#N 735320273 OWBSCMCWBZQOLZ-HNNXBMFYSA-N 445.997 5.509 30 20 IKED C[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1cccc(OC(F)F)c1 740031724 SKDCNTRRSZNLIG-AWEZNQCLSA-N 427.476 5.449 30 20 IKED CC[C@H](C)NC(=O)c1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 740443122 BQHKBTQNHOTAFH-INIZCTEOSA-N 432.549 5.137 30 20 IKED O=C(/C=C/c1ccc(-c2ccccc2F)o1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741852769 RVYKOQCVLUJNAK-YRNVUSSQSA-N 438.398 5.318 30 20 IKED COc1cc(/C=C2/Cc3cc(Cl)ccc3C2=O)c([N+](=O)[O-])cc1OCC(F)(F)F 742437717 PZPWZFABVIXBKZ-XGICHPGQSA-N 427.762 5.020 30 20 IKED N#Cc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)cc1C(F)(F)F 743216338 LRRIAGUBGLOKFX-KRWDZBQOSA-N 427.348 5.965 30 20 IKED Clc1ccc(C(Cc2ccccn2)=NNc2nc(-c3ccccn3)nc3c2CCC3)cc1 745201345 PLFYNOVSUXCCAS-UHFFFAOYSA-N 440.938 5.135 30 20 IKED COc1cc(C(=O)/C=C\c2ccccc2OCc2ccccn2)ccc1SC(F)F 746345216 AXYWIRQRBGYAQG-LUAWRHEFSA-N 427.472 5.880 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1sc(-c2ccc(C)cc2C)nc1C 746415443 BLYJQEQHZWHTCI-GOSISDBHSA-N 433.533 5.095 30 20 IKED N#Cc1ccccc1N1CCC(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)CC1 747335473 CGIRAUQHEAPNRS-UHFFFAOYSA-N 444.585 5.295 30 20 IKED N#CC1(c2ccccc2)C/C(=C/c2ccc(Cl)nc2)C(=O)/C(=C\c2ccc(Cl)nc2)C1 749000198 VCFQVNAUWIPOTM-PZRYXVKFSA-N 446.337 6.075 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(Oc2ccccc2)o1 749025487 HGUQRXCUKJPCSP-FQEVSTJZSA-N 438.439 5.825 30 20 IKED CC[C@@H](C)Oc1cc(/C=C(/C(=O)Nc2cccnc2)C(=O)c2ccccc2)ccc1OC 749453526 SNQZRLHEPVRDOL-GNFOSXPUSA-N 430.504 5.173 30 20 IKED N#C[C@@H](COC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)Cc1ccccc1 750786895 LGNGMYHEIKOABB-HNNXBMFYSA-N 428.275 5.115 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(-n3ccnc3C)cc2)cs1 751518074 RKHZLHSARVBUAF-JYRVWZFOSA-N 442.544 5.526 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCO[C@H](c3ccsc3)C2)c1=S 758400629 RVCUONXPQAMDSK-SFHVURJKSA-N 433.002 5.013 30 20 IKED Cc1noc(C[C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2ccccc2)n1 759844626 VXHUUVBPZNKZAM-RPWUZVMVSA-N 437.503 5.139 30 20 IKED CCCc1c(NC(=O)NCc2cccc(O[C@@H](C#N)CC)c2)cnn1-c1ccccc1C 760148320 XKSMPGNSMMWMML-HXUWFJFHSA-N 431.540 5.136 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 761674038 PXAROOPLKGGILV-GOSISDBHSA-N 440.475 5.190 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)Nc3ccc(-c4nc5ccccc5s4)cc3)CCO2)c1 761821918 YLZISAZUGIFYRK-QFIPXVFZSA-N 440.528 5.440 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)Sc1nc2ccccc2s1 762477890 XWSVORCIJHHSFU-OAHLLOKOSA-N 446.557 5.783 30 20 IKED CC(C)(C)OC(=O)N1CCC(CCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)CC1 765914359 BTYCJOSAVRMGNZ-MRXNPFEDSA-N 447.988 5.553 30 20 IKED N#C[C@H](C(=O)Cc1cccc(OCCCOc2ccccc2)c1)c1ccc2ccccc2n1 766616223 GBWUNZLFCBCQIG-VWLOTQADSA-N 436.511 5.502 30 20 IKED Cc1nc(CON=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)oc1-c1ccc(Cl)cc1 768510704 BECNKHKGTQSHAD-UHFFFAOYSA-N 440.887 5.363 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)ccc1NC(=O)OC(C)(C)C 772648442 KFJYKKZBTYFPBX-OAHLLOKOSA-N 425.485 5.581 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)O[C@H]([C@@H]2CCOC2)C(F)(F)F)c1 778043808 XBCNDSUIAGKZNF-FZKQIMNGSA-N 425.790 5.128 30 20 IKED COc1ccccc1COc1cccc(NC(=O)Nc2ccccc2O[C@@H](C)C#N)c1C 780610673 BTUQJXIURHVHAT-KRWDZBQOSA-N 431.492 5.518 30 20 IKED C=C[C@@H]1CCCCN1C(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12 785861860 NJIVKCABYVPDCP-GOSISDBHSA-N 432.520 5.108 30 20 IKED CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)[C@H](C#N)c1cnc2ccccc2n1)OCC3 792110066 KODOZWKKXCSBGY-HRFSGMKKSA-N 438.531 5.118 30 20 IKED C=CC[C@H](OC(=O)c1cccc(-c2nnc(CCOC)o2)c1)c1ccc(Cl)c(Cl)c1 797554288 RXUJZQCPMRYGOG-IBGZPJMESA-N 447.318 5.707 30 20 IKED N#C[C@@H](COC(=O)c1ncccc1Oc1ccccc1)Cc1ccccc1Br 799629044 OYFZBDJURNNKMD-INIZCTEOSA-N 437.293 5.176 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(Cl)c2Cl)[n+]2cccc(O)c2)c1 802708192 HCRYKELYLZYOAF-UHFFFAOYSA-O 442.347 5.291 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)c1 805114143 QSKRWVRKSVHQJP-GHTZIAJQSA-N 447.457 5.217 30 20 IKED COc1ccc(/C=C2/N=C(SCC3(C#N)CCCC3)N(c3cccc(OC)c3)C2=O)cc1 806581867 CAKNEPQPCJONTF-HYARGMPZSA-N 447.560 5.265 30 20 IKED Cc1nc2ccc(Cl)cn2c1NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 808755979 SIIOLZNLVDRRLM-UHFFFAOYSA-N 442.350 5.066 30 20 IKED N#C[C@H](C(=O)CCSc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1Cl 808980037 ROFOFRAYGBFFTO-CQSZACIVSA-N 427.740 5.477 30 20 IKED CN(C(=O)c1ccc(Cl)c(NCc2ccc(F)c(C#N)c2Cl)c1)c1ccccc1 864007380 WIRAXMKFCZRVGK-UHFFFAOYSA-N 428.294 5.893 30 20 IKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2Cl)o1)c1nc(-c2ccccc2)cs1 915101556 DUXGYJMWKLOYCT-QGZVFWFLSA-N 433.920 5.928 30 20 IKED Cc1cc(-c2nnc(COC(=O)c3ccccc3SCc3ccc(C#N)cc3)o2)c(C)o1 916408457 HGXKSYMMMPBBIQ-UHFFFAOYSA-N 445.500 5.467 30 20 IKED N#C[C@H](C(=O)CCN1c2ccccc2Sc2ccccc21)c1nc2ccccc2s1 916627020 OFPOHOMUKKSCCX-MRXNPFEDSA-N 427.554 6.166 30 20 IKED N#C[C@@H](C(=O)CCCc1ccc(Cl)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 916846591 ZSWRCRJEQXZIBL-INIZCTEOSA-N 425.941 5.128 30 20 IKED CC[C@H](C)c1ccccc1OCC(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916847198 NGIAUQGFGYFNIK-WMLDXEAASA-N 435.549 5.044 30 20 IKED N#C[C@H](C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)NC1CCCCC1 916895921 WVYCIQOAPPHBCN-GGAORHGYSA-N 440.996 5.320 30 20 IKED Cc1csc(SCc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)cc2)n1 916909128 KHLQGFWNVKAXRD-INIZCTEOSA-N 441.965 5.358 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2coc3cc(C)c(C(C)C)cc23)cc1Cl 916940456 XRLDWHAHCQGUSK-IBGZPJMESA-N 438.911 5.417 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN(Cc2ccccc2C(F)(F)F)C2CC2)c1=S 917475206 ZQKLDUHCGQKLRM-UHFFFAOYSA-N 445.514 5.303 30 20 IKED CCc1c(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3)n2)oc2ccccc12 917560327 VXGYIHBOKUCSHT-JLHYYAGUSA-N 434.492 6.172 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2c[nH]c3cc(Cl)ccc23)cs1 920068949 UXGMOPCJYHZSOZ-POHAHGRESA-N 435.936 6.167 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)c(Cl)c3)CCC2)cc1 1791301087 PMDRMKIPKAAXIM-UHFFFAOYSA-N 448.897 5.308 30 20 IKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)CCCCC)[C@H]1c1cccnc1 1803088671 FMFBIDLWHXDAII-OYDLWJJNSA-N 425.617 5.072 30 20 IKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc4ccccc4c3)C2)CC1 1809124075 BNRDUSQBYIQPHV-UHFFFAOYSA-N 444.619 5.382 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(OCC)c2)[nH]n1 1814442136 YUVCOXYYQGICQK-OAQYLSRUSA-N 438.572 5.107 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(C(F)(F)F)CCC2)[nH]n1 1814442300 PMCCMGQDLUYOMS-MRXNPFEDSA-N 440.510 5.127 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cccc(C)c3[nH]2)[nH]n1 1819307187 PPKKGULVGCMUGG-DENIHFKCSA-N 445.567 5.274 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ncccc23)CC1 1828829059 XHZKZOONODTSNO-GJZUVCINSA-N 445.607 5.237 30 20 IKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCCC(C)(C)C)CC1 1828889411 QJYNXPKIPCJCJQ-PKTZIBPZSA-N 448.692 5.176 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(OCC)c2)CC1 1830108636 IEDUSOCQXRQCSK-XMMPIXPASA-N 440.628 5.311 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)(C)C)cc2)CC1 1830600228 YXXXHAMVDWXTIO-RDPSFJRHSA-N 440.628 5.309 30 20 IKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 1831858785 LMJNPODHRHHBRP-IBGZPJMESA-N 431.001 5.364 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](c1ccc(Cl)cc1)C(C)C 1847627636 RKXLKKSTTMCHIJ-LDVJMBRRSA-N 429.004 5.050 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2ccc(C)cc2C)cc1 10168642 BSPJIIZKBHWCFE-UHFFFAOYSA-O 445.652 6.502 30 20 IKED N#Cc1ccccc1CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1 12016222 FQLXNQVEIAQOAU-UHFFFAOYSA-N 441.343 6.057 30 20 IKED C=CCn1c(SCc2nc3ccccc3s2)nnc1-c1ccc(Br)cc1 21927375 YPFDSISCJIJJEK-UHFFFAOYSA-N 443.395 5.796 30 20 IKED C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)C(=O)N(CCC#N)c1ccccc1 22095308 QOBCXGOWSWXLJB-SFHVURJKSA-N 447.608 5.207 30 20 IKED C[C@H]1CN(Cc2csc(/N=C(\O)c3cc4c5ccccc5n(C)c4s3)n2)C[C@H](C)O1 22297047 LEWYLLKTDPNFLZ-KBPBESRZSA-N 440.594 5.095 30 20 IKED COc1ccc(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1C 32587745 NGMQTKFMMIVLDM-HXUWFJFHSA-N 426.925 5.113 30 20 IKED CC(=O)N[C@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(C)cc1 46861608 NSCHOCNNKDJLHE-UKILVPOCSA-N 445.950 5.510 30 20 IKED Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccccc1Sc1ccccc1C#N 60106247 ZMUZOJCFDYJKRK-UHFFFAOYSA-N 438.512 5.853 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1csc(-c2ccc(C)o2)n1 60323081 KARRDHYZZOUURY-UHFFFAOYSA-N 449.345 5.370 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 62889340 KLTKNKRAVRAECX-UHFFFAOYSA-N 446.438 5.074 30 20 IKED C=CCn1c(SCC(=O)N(Cc2ccco2)c2ccccc2)nnc1-c1cccc(C)c1 96979279 ZEQHQJGXBSBGPC-UHFFFAOYSA-N 444.560 5.358 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 109652018 BNWHIBHMFBSMFI-UHFFFAOYSA-N 443.506 5.680 30 20 IKED CC1C/C(=C/c2ccc(O[C@H](C)C#N)cc2)C(=O)/C(=C/c2ccc(O[C@@H](C)C#N)cc2)C1 110652555 MKNSCICKDMKUIU-KPCGBMRZSA-N 426.516 5.734 30 20 IKED N#CCCN(C(=O)CCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1 111199765 WSUBBKMBMSNBCV-NRFANRHFSA-N 444.362 5.384 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cc(Br)ccc2F)cc1 303444408 COWQMCYXHJSXRD-UHFFFAOYSA-N 441.325 6.004 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3nnc(-c4ccccc4)o3)n2)o1 303662127 VURSVUAJJBIPEA-UHFFFAOYSA-N 442.422 5.883 30 20 IKED CN(C)CCCN(CCC#N)C(=O)Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1 429662496 RMWOAJXHQMSOLY-UHFFFAOYSA-N 434.462 5.197 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)Cc3cscc3Br)c2)cc1 432403644 STGDFADBOFYZPZ-UHFFFAOYSA-N 441.350 5.337 30 20 IKED Cc1cc(-c2cc(C(=O)N3CCCC(C)(C)[C@H]3C#N)c3cnn(C(C)C)c3n2)c(C)s1 434022811 BSMXMTVTZUFUNQ-OAQYLSRUSA-N 435.597 5.512 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC1(c2c(Cl)cccc2Cl)CC1 434619937 VKLKEJGCNXAXCP-ZDUSSCGKSA-N 448.375 5.132 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)c1ccccc1 435729338 CKGZMICOUYDUTD-HSZRJFAPSA-N 442.519 5.093 30 20 IKED CCCc1c(NC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cnn1-c1cccc(C#N)c1 439677971 LJDSXQUVQPNOMF-NZQKXSOJSA-N 449.942 5.002 30 20 IKED C[C@@H](NC(=O)CCc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 440763825 SQVQWWIKKXUKAF-WZONZLPQSA-N 445.950 5.071 30 20 IKED C=CCC[C@H](NC(=O)N[C@@H]1CCCn2nc(C(C)C)nc21)c1ccc(C(F)(F)F)cc1 440863504 XBGWRUIUNDKDCO-ZWKOTPCHSA-N 435.494 5.262 30 20 IKED COc1cc(C(=O)NCC2CCC(C#N)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 441153726 ZWVDVRJEABLKLN-UHFFFAOYSA-N 443.887 5.109 30 20 IKED N#CCCN(C(=O)c1ccc(NC(=O)c2cccs2)cc1)C12CC3CC(CC(C3)C1)C2 460458483 GSMXQALTJUNWMX-UHFFFAOYSA-N 433.577 5.325 30 20 IKED C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC2(CCOCC2)[C@H]1C 460963870 PNJBRKXXGOYLSK-OAQYLSRUSA-N 438.616 5.260 30 20 IKED N#Cc1cccc(-c2nnc(N3CCC[C@@H]3c3cccc(F)c3)n2Cc2cccs2)c1 461497850 QJLGFCCQJPWLNX-JOCHJYFZSA-N 429.524 5.407 30 20 IKED COc1ccc(O[C@H](C)CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 464142730 ROZXVOMDFHLKGJ-GOSISDBHSA-N 432.545 5.056 30 20 IKED CSc1cccc([C@@H](NC(=O)N[C@H](C)c2ccc(C#N)cc2)c2cc(F)ccc2F)c1 465650556 ALPVDZFDQDFZGL-IQMFZBJNSA-N 437.515 5.708 30 20 IKED C[C@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)Oc1ccccc1Cl 466179661 VGUWMJCXRKTNGI-MRXNPFEDSA-N 448.910 5.053 30 20 IKED Cc1ccc(-c2cccc(CNC(=O)C(=O)Nc3ccccc3SC[C@H](C)C#N)c2)cc1 468606905 AWAQJDMQLXKUDP-LJQANCHMSA-N 443.572 5.169 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@@H](c3ccc(Br)s3)C3CC3)ccc21 469256849 PDLFWLCHJSUSMN-OAQYLSRUSA-N 444.398 5.657 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccccc2O[C@@H]2CCOC2)c1 470787661 BEOSZIGKBPWSRG-GOSISDBHSA-N 434.879 5.424 30 20 IKED Cc1sc([C@H](C)NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)nc1-c1ccc(Cl)cc1 471055116 GBVMORNWWFYIPN-IFXJQAMLSA-N 434.952 5.203 30 20 IKED C=CCN(C(=O)c1cc2sc(N3CCCC3)nc2s1)c1nc2c(s1)CCCC2 476188405 FWAKGTUYFZKMLL-UHFFFAOYSA-N 430.624 5.126 30 20 IKED CCc1ccc([C@H](NCc2ccc(Cl)cc2C#N)c2cccc(S(C)(=O)=O)c2)cc1 478363001 QXKUMEAVDKMGDJ-DEOSSOPVSA-N 438.980 5.057 30 20 IKED O=C(CCOCC(F)(F)C(F)F)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 479088510 FNAHJUARXVKJHL-UHFFFAOYSA-N 440.315 5.138 30 20 IKED CN(C(=O)Cc1csc(-c2cccc(Br)c2)n1)c1cc(Cl)ccc1C#N 479576125 QRZBPMXEKJJEQJ-UHFFFAOYSA-N 446.757 5.303 30 20 IKED Cc1nc2c(cnn2C(C)C)cc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 481002434 CAKIGXMRSACEBI-HNNXBMFYSA-N 437.475 5.212 30 20 IKED Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 481155779 KPEVGEAQDPYFKB-UHFFFAOYSA-N 429.545 5.408 30 20 IKED C=C(C)Cn1c(SCc2c(C(=O)OC)sc3ccccc23)nnc1-c1ccncc1 481361607 SNLPYNAVRZDNJI-UHFFFAOYSA-N 436.562 5.210 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cc(-c4ccccc4)no3)cc2F)c1 481659327 NPWPRCHJYPIYNN-UHFFFAOYSA-N 442.450 5.253 30 20 IKED C=CCn1c(SCc2ccc(OCc3cccnc3)cc2)nnc1-c1cccc(OC)c1 488923224 BBLRCEULQGSVPB-UHFFFAOYSA-N 444.560 5.406 30 20 IKED COc1cc(C)c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(C)c1C 495011444 WPSCITVAIUYCNB-UHFFFAOYSA-N 431.511 5.866 30 20 IKED CC(C)[C@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 497647595 SMPNCLBDNKHVNW-XMMPIXPASA-N 427.504 5.145 30 20 IKED Cc1nc([C@@H]2CCCCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)no1 500974234 TUVXCHKIKUFGQQ-QHCPKHFHSA-N 445.523 5.172 30 20 IKED Cn1cnc(-c2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cc2)n1 504076523 NRKIQDKWOAGMPY-OAQYLSRUSA-N 427.895 5.043 30 20 IKED C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 504287757 DXVWVNQAWDQFME-SNVBAGLBSA-N 436.318 5.163 30 20 IKED CC[C@H](C)n1c(SCC(=O)N(Cc2ccc(C#N)cc2)C2CC2)nnc1-c1ccccc1 504315909 YEBCHSALQPYOQH-SFHVURJKSA-N 445.592 5.071 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(F)cc2OCCC(F)(F)F)cc1 505851260 TZGZSNDZHWLVEX-UHFFFAOYSA-N 440.397 5.108 30 20 IKED Cc1ccc(C(=O)N2CCC(C)(C#N)CC2)cc1OCc1csc(Br)c1 507824147 HXCOPEGRGUWRPZ-UHFFFAOYSA-N 433.371 5.164 30 20 IKED N#Cc1ccc(-c2ccccc2)nc1SCc1nnc(-c2c(Cl)cccc2Cl)o1 510203779 OMWACCZBENPMJZ-UHFFFAOYSA-N 439.327 6.269 30 20 IKED COc1ccc(C[C@H](C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1OC 510317832 ZLQQOPCTXZHDEU-IBGZPJMESA-N 444.531 5.166 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1 510823887 HPVXTPNWZRMAGY-RLWLMLJZSA-N 441.531 5.948 30 20 IKED N#Cc1ccc(NC(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)c(Cl)c1 510839201 TVPDQOJMODONHG-KRWDZBQOSA-N 441.963 5.519 30 20 IKED N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1nc2ccccc2s1 513676876 LZZWLEFOBJHLJV-QGZVFWFLSA-N 431.498 5.846 30 20 IKED N#CCCCn1cc(-c2nc(-c3cc(Cl)ccc3O[C@H]3CCOC3)no2)c2ccccc21 515492509 MTBHZLPWYQLTKR-KRWDZBQOSA-N 448.910 5.483 30 20 IKED CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(Cl)cc1 516734978 LMLGWUCNECPEAB-NRFANRHFSA-N 433.895 5.210 30 20 IKED C=C(C)Cn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N1CCC(COC)CC1 517182877 YBKWBGZRCVWBCW-UHFFFAOYSA-N 443.551 5.192 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N(CCc3ccccc3F)C3CCCC3)cc2)nc1 518903563 HSCYOMKFOLQFRT-UHFFFAOYSA-N 429.495 5.512 30 20 IKED CC(C)c1c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cnn1-c1cccc(Cl)c1 519433246 ZTPKQVFPASCBGL-INIZCTEOSA-N 438.984 6.153 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Br)c(F)c3)n2)cc1 520076216 XORNGNPJKCMBGM-AWEZNQCLSA-N 431.286 5.210 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c23)cc1 520864881 SMBHYSGSCYVKKO-UHFFFAOYSA-N 444.491 5.565 30 20 IKED CC(C)(CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)Cc1ccccc1 522705858 ZWIFKSRELMLNSJ-UHFFFAOYSA-N 437.594 5.092 30 20 IKED CC(C)[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1nnc2ccccn12 523957307 RUZWJBWWJBICNK-JOCHJYFZSA-N 445.910 5.174 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 524216168 OAKFAETZZRBDLN-DYESRHJHSA-N 428.001 6.741 30 20 IKED CSc1ccc(O[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 524832505 SHAGJFHBCINAPQ-ZDUSSCGKSA-N 440.512 5.839 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](CN3CCCCC3)C2)cc1Cl 525841113 NDWXARBLJKNOIT-XXBNENTESA-N 436.987 5.335 30 20 IKED CC(C)Cn1ncc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1C(F)F 534089340 FRBZZXDGYUINAS-UHFFFAOYSA-N 443.429 5.924 30 20 IKED CCO[C@@H](C)c1nc(CN(C)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)cs1 537009587 YYZADDJVFDTANV-KRWDZBQOSA-N 434.565 5.121 30 20 IKED N#CC1(c2ccc(C(=O)Nc3ccc(Cl)c(C(=O)NCc4cccs4)c3)cc2)CC1 537459080 JDEWRKIVNNBZHQ-UHFFFAOYSA-N 435.936 5.139 30 20 IKED COc1ccc(CN2CCC[C@H]2c2nc3ccccc3n2C(C)C)cc1OCCCC#N 538729527 WGKLZTPKWKDMLH-QHCPKHFHSA-N 432.568 5.645 30 20 IKED COc1ccc(-n2c(SCCCC3(C#N)CCOCC3)nnc2-c2ccc(C)cc2)cc1 539709768 RHKALXAMOAJJQJ-UHFFFAOYSA-N 448.592 5.444 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)cc1 540224471 CDVWHOIOAXQKRW-UHFFFAOYSA-N 431.458 5.033 30 20 IKED C[C@@H](NC(=O)N[C@H](c1ccccc1)c1nccs1)c1ccc(-c2cccc(C#N)c2)cc1 542962704 RPXZAFQQLVTMOE-HOYKHHGWSA-N 438.556 5.832 30 20 IKED C[C@H](NC(=O)N1CCC(OC[C@@H]2CCCCO2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 543942402 JOBSGWOWXJBKMJ-FNZWTVRRSA-N 447.579 5.046 30 20 IKED COc1cc(CN(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C2CC2)ccc1O 543944194 IQPPBBXQPHUXKW-GOSISDBHSA-N 441.531 5.375 30 20 IKED Cc1c(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)sc2ccc(C#N)cc12 550128393 AEBSYCKTTGHLSC-UHFFFAOYSA-N 428.395 5.403 30 20 IKED CCNc1ccc(C#N)cc1NC(=O)c1cccc(COc2ccc(CCC(C)=O)cc2)c1 552108689 SIIUAGIXZPVNPH-UHFFFAOYSA-N 441.531 5.343 30 20 IKED N#CCCSc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 553330026 TXPKKRZKUBMFFJ-UHFFFAOYSA-N 441.607 5.078 30 20 IKED C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 554444466 KOSZLVUSRLODBS-KRWDZBQOSA-N 442.523 5.208 30 20 IKED CCCc1c(NC(=O)Nc2ccc(OC(F)F)cc2F)cnn1-c1cccc(C#N)c1 558834215 OJTBFQCIRFXBNI-UHFFFAOYSA-N 429.402 5.081 30 20 IKED C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC(c2nc3ccccc3s2)CC1 558985283 DPMOMICYJNZBFX-UHFFFAOYSA-N 430.581 5.218 30 20 IKED C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1nc(C(C)(C)C)cs1 560951165 QCZYDCUVVXDADW-KRWDZBQOSA-N 448.592 5.968 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@@H](c3cc(F)ccc3F)C(F)F)cc2)ccn1 563839205 BQCQBVULBDVQAQ-IBGZPJMESA-N 430.361 5.152 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)NC1CCC(c2ccc(C(C)(C)C)cc2)CC1 564719160 JQNPTJADIDJOPS-UHFFFAOYSA-N 433.596 5.348 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)Cc3c[nH]c4cc(Br)ccc34)cc2)ccn1 576272367 PCOLWQTWPWOMIB-UHFFFAOYSA-N 447.292 5.171 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 577133979 KZVPRTYDJQIJDC-FQEVSTJZSA-N 437.588 5.089 30 20 IKED C=CCN(C(=O)c1csc(C(F)(F)F)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 577894999 NOFPXNISGJVMLL-UHFFFAOYSA-N 440.428 5.026 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(OC(C)C)cc1C(F)(F)F 579271715 DDANZVQFKUMYJX-UHFFFAOYSA-N 438.494 5.880 30 20 IKED CN(Cc1ccsc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 588346319 FDJGRFUQWRBMEH-UHFFFAOYSA-N 436.484 5.350 30 20 IKED CC(C)(C)c1noc2ncc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc12 590388521 GNUDLLQRHJUDAV-KRWDZBQOSA-N 427.489 5.006 30 20 IKED Cc1cccn2cc(COc3ccc(C(=O)Nc4sc5c(c4C#N)CCCC5)cc3)nc12 592995857 VSVGJLLFKLJUAQ-UHFFFAOYSA-N 442.544 5.286 30 20 IKED Cc1cc(C)c(C#N)c(SCC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)n1 601973921 JROSASWJKCOLAU-JOCHJYFZSA-N 440.572 5.092 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2cccs2)n1 603533058 OQSBPFZSUVIRNL-UHFFFAOYSA-N 447.560 5.967 30 20 IKED C[C@@H](Sc1nnc(-c2ccc3ccccc3c2)o1)C(=O)N(CCC#N)c1ccc(F)cc1 603726378 DZRNADAUZVXBDG-MRXNPFEDSA-N 446.507 5.456 30 20 IKED COc1cccc(NCc2nnc(S[C@H](C#N)Cc3ccccc3)n2C2CCCCC2)c1 604436190 GMBLZCIWYAZJNR-QHCPKHFHSA-N 447.608 5.631 30 20 IKED CCCOc1ccc([C@@H](C)NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1OC 609057404 NWENAPHVTZKJHJ-QGZVFWFLSA-N 434.492 5.019 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N(C)c1ccc(C#N)cc1F 609217835 UZXHOKAQYHNHLY-UHFFFAOYSA-N 431.298 5.012 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3cc(Br)cc4ccccc34)CC2)c1 609299305 FEGGWCJDNHGELB-UHFFFAOYSA-N 435.321 5.158 30 20 IKED Cc1ccccc1-c1noc(CSCC(=O)Nc2ccccc2S[C@@H](C)CC#N)n1 609388944 NFIZGVBYIBXAFF-INIZCTEOSA-N 438.578 5.311 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 609398736 MVSXXNOHBCACHO-ZWKOTPCHSA-N 428.627 5.034 30 20 IKED CCOc1ccc(-c2nc(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)cs2)cc1 609431863 WECZGSDGHLRCRG-INIZCTEOSA-N 437.590 5.784 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 609431899 YMODWGMMYZHXCO-FUHWJXTLSA-N 441.984 5.225 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CC[C@H]1Cc2ccccc2NC1=O 609494558 SHCZZSNQCCOKCQ-FQEVSTJZSA-N 443.934 5.336 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)c2cc(Br)ccc2Cl)CC1 609508742 OUBSGHLFOIGWGM-UHFFFAOYSA-N 433.733 5.094 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C(F)(F)F)(C(F)(F)F)C3)cc2)cc1 609773556 LIIYRZRCQPDPHZ-UHFFFAOYSA-N 443.347 5.699 30 20 IKED Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 610224199 IHAZDVYSHWTWSY-UHFFFAOYSA-N 446.410 5.093 30 20 IKED COc1ccc([C@H](NC(=O)N2CCC[C@@](C)(C#N)C2)c2ccc(C(F)(F)F)cc2)cc1 612378759 SBUAOVNVSLKMBJ-IRLDBZIGSA-N 431.458 5.139 30 20 IKED Cn1nc(CNc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c2ccccc21 612625450 GKMWFBQQMZMANM-UHFFFAOYSA-N 427.455 5.123 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ccc(F)cc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 613403814 GATNRBVOGTZEDZ-CYBMUJFWSA-N 447.438 6.068 30 20 IKED C=CCN(Cc1cccs1)C(=O)c1csc(-c2cc(Br)cs2)n1 616518525 AZMOIMGRIUUSLO-UHFFFAOYSA-N 425.398 5.524 30 20 IKED N#Cc1ccc(CNC(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cc1Cl 619817286 DETKEOSSMXDGSH-IBGZPJMESA-N 440.931 5.351 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccccc2Cl)c1)c1nc(-c2ccc(Cl)cc2)cs1 622650264 DUTAIQJMGWXJMI-INIZCTEOSA-N 439.327 5.793 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1c(CC)cccc1CC 642252605 ICMLNQKGQRUIEH-SFHVURJKSA-N 434.609 5.299 30 20 IKED C[C@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1OC(F)F 642796012 BUFKHEGTNFEDEL-NNYUYHANSA-N 448.354 5.558 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)cc1 673935315 NWBWGHFDGZHWAF-UHFFFAOYSA-N 442.540 5.150 30 20 IKED C=CCN(Cc1csc(N(C(C)=O)c2ccc(C)cc2C)n1)Cc1ccc(Cl)s1 674865035 BCRZDRMOPWNPSO-UHFFFAOYSA-N 446.041 6.348 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)cc1 728766943 PXLHFINDSFOLIX-OSPHWJPCSA-N 445.563 5.379 30 20 IKED N#CCCN(CC1CC1)Cn1nc(-c2cc(-c3ccccn3)nc3ccccc23)oc1=S 728904433 CQFBQMHKCZLVLN-UHFFFAOYSA-N 442.548 5.066 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)cc1 732300390 XZYFVGZIOKNQAW-HXUWFJFHSA-N 445.277 5.260 30 20 IKED CC(C)(Oc1cccc(Cl)c1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 733052874 RZLKYPCMQHMQRZ-AWEZNQCLSA-N 438.858 6.002 30 20 IKED COc1ccc2cc(C(C)=NNc3cc(C(F)(F)F)nc(-c4cccnc4)n3)ccc2c1 733079427 AQYSPSKAYKKCHN-UHFFFAOYSA-N 437.425 5.555 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)ccc1OC 733657699 XZHQCJNFLVQZAG-GOSISDBHSA-N 436.339 5.025 30 20 IKED C[C@@H]1CN(c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)CCO1 736727887 VSCYXZQNMACQKF-LJQANCHMSA-N 443.572 5.328 30 20 IKED O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)c1c(Cl)nc2ccccn12 737445718 GCBYIECLHBVTOU-QXMHVHEDSA-N 425.879 5.132 30 20 IKED Cc1oc(-c2ccccc2F)nc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 737507732 NGGRUQSMNZDMOY-UHFFFAOYSA-N 441.462 5.687 30 20 IKED COc1cc(C)c([C@H](C)NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1OC 740031243 BGSNDOBEVWTDSX-INIZCTEOSA-N 435.549 5.173 30 20 IKED C=CCn1c(-c2cccc(C)c2)nn(CN(CCC)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1=S 740859924 VZVKRUFQWMQYII-PWRODBHTSA-N 426.630 5.059 30 20 IKED C=CCN(C(=O)COC(=O)C1CC=CC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 741043675 ACVGZUPMBHBGJI-UHFFFAOYSA-N 437.348 5.145 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)N[C@H]1CCOc2ccccc21 741492844 TVIWBBMVPWGDCQ-QFIPXVFZSA-N 431.536 5.411 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cc1 743094979 GIWSPSFLRZVNKG-XMMPIXPASA-N 435.531 5.630 30 20 IKED CC[C@H](C)n1c(SCC(=O)[C@@H](C#N)c2nc(C(C)C)cs2)nnc1-c1ccccc1 747197979 QOWHGNLORYWGOG-DOTOQJQBSA-N 439.610 5.465 30 20 IKED COc1cc(/C=C\C(=O)N[C@@H](CCC#N)c2ccccc2)ccc1OCc1c(C)noc1C 749034188 HOCBJLGEEVPVLI-BRWBUXIUSA-N 445.519 5.054 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cccc(-n2nccc2C(F)(F)F)c1 749337124 AUZNWZLAYBLMNG-LJQANCHMSA-N 448.404 5.005 30 20 IKED O=C1/C(=C\c2cc(F)c(O)c(F)c2)CC2(CCOCC2)C/C1=C\c1cc(F)c(O)c(F)c1 751517630 MYTXALPLJQKJDP-OPCYYNASSA-N 448.412 5.281 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)cc1C#N 752198265 HJNFIMACHTVZGL-UHFFFAOYSA-N 432.461 5.249 30 20 IKED Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(Br)n1 755577203 SSTHBQIANVNENF-UHFFFAOYSA-N 438.300 5.006 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C 756480694 TZZAASLXRKUNLZ-LMMKCTJWSA-N 446.617 5.238 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)ccc1OC 756696744 IWCXSPIFUNDOIZ-SJLPKXTDSA-N 444.601 5.167 30 20 IKED C#CC[C@@H](NC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1)c1ccccc1 757777642 HIJYHSMKMLBSAZ-HSZRJFAPSA-N 438.358 5.865 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2(CCOCc3ccccc3)CC2)cc1 760732564 DDIJHZAOJFUOOI-RUZDIDTESA-N 425.532 5.603 30 20 IKED Fc1ccc(C2OCCO2)c(Cl)c1C=NNc1nc2cc(C(F)(F)F)ccc2s1 761809776 KQZYQEMEQHNLGM-UHFFFAOYSA-N 445.825 5.599 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCOc2ncc(Cl)cc2Cl)cc1 762215994 UPIKKDMZRNQJQC-IBGZPJMESA-N 441.318 5.244 30 20 IKED N#CCCN(Cn1nc(-c2ccco2)n(-c2ccc(Cl)cc2)c1=S)CC(F)(F)F 765047866 DJWATZQXARCMLV-UHFFFAOYSA-N 441.866 5.052 30 20 IKED CC(C)(Oc1ccc(C#N)cc1)C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21 767634610 REMTYDPUARHLSY-UHFFFAOYSA-N 444.512 5.088 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(Br)c(C(F)(F)F)c1 768762483 IOHMXKKSKNECGH-GFCCVEGCSA-N 445.622 5.082 30 20 IKED Cc1cc(C)cc([C@H]2NC(=O)N(c3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2=O)c1 771814973 CBWZMYBVGJNVOK-JTHBVZDNSA-N 429.907 5.410 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 777287506 VQBXFXMUHQQBPW-TZIWHRDSSA-N 445.519 5.024 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)O[C@H]([C@H]2CCOC2)C(F)(F)F)cc1Cl 778035549 AJYOCLSKRKJCGV-KBXCAEBGSA-N 425.790 5.128 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1sc2cccc(F)c2c1COc1ccccc1 780150234 USGLIWCPBKQKTK-INIZCTEOSA-N 446.503 6.163 30 20 IKED CC[C@H](NC(=O)[C@H](C#N)C(=O)c1ccc(COc2ccc(C)cc2C)o1)c1ccccc1 787044591 GNTOTDKFKBVSJQ-YADHBBJMSA-N 430.504 5.065 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c2ccccc2n1 787050731 LQCOLQDTRKSALR-ACJLOTCBSA-N 426.303 5.050 30 20 IKED C=CC[C@@]1(C(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)CCCN1C(=O)OC(C)(C)C 792535343 MKFZYYJDDWFKDY-VWLOTQADSA-N 443.588 5.264 30 20 IKED N#CC[C@@H](CC(=O)OCc1ncc(-c2ccc(Br)cc2)o1)c1ccccc1 795981409 MOSXRRVVSXKMTH-KRWDZBQOSA-N 425.282 5.235 30 20 IKED Cc1ccc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c(-c2ccnn2C)c1 802706071 BEGBLXHZZFUOAY-UHFFFAOYSA-N 439.544 5.025 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)c1ccccc1 813216673 WTCMQPHGCHGOBB-MSOLQXFVSA-N 447.457 5.323 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)SCC(=O)N2 813448305 RLGFFLNOWGOMNV-UHFFFAOYSA-N 437.468 5.008 30 20 IKED CC(=O)N1CCC(=NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2C1 814948844 HWJJXBWZSDZRDK-UHFFFAOYSA-N 429.364 5.293 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(O)Cc1cc(Cl)cc(Cl)c1 901379720 CSDVWHBDAWHUIO-UHFFFAOYSA-N 425.293 5.240 30 20 IKED Cc1sc2ncnc(SCC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2c1C 915086117 HJESYRHKECQRPA-HXUWFJFHSA-N 444.585 5.694 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 915200039 TVDGCBCBTSSBPG-RCZVLFRGSA-N 438.531 5.225 30 20 IKED Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1cc(Br)cs1 916277047 QYZIAQNRGFYONO-UHFFFAOYSA-N 434.171 5.247 30 20 IKED N#C[C@H](C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1)C(=O)N1CCCC1 916867051 SMNHXUWUFPBSRV-QGZVFWFLSA-N 433.360 5.231 30 20 IKED N#C[C@H](C(=O)CCN1c2ccccc2Sc2ccccc21)C(=O)Nc1ccccc1Cl 916909097 JWOGOJULFPIUCY-MRXNPFEDSA-N 447.947 5.680 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)cc1 916913984 JDZCBMUMCNRUKD-OAQYLSRUSA-N 445.567 5.439 30 20 IKED N#C[C@@H](C(=O)CN1CCC[C@@H]1c1cccc(Br)c1)c1nc2ccccc2s1 917163100 BVRHWHYTPXJPDK-FUHWJXTLSA-N 440.366 5.072 30 20 IKED Cc1ccc(-n2c(SCC(=O)[C@@H](C#N)c3nc(C)cs3)nc3ccccc32)c(C)c1 917437516 QEGFBQOKFOPFRZ-QGZVFWFLSA-N 432.574 5.376 30 20 IKED COc1ccccc1[C@@H](C/N=C/c1cc(Cl)cc(Cl)c1O)NC(=O)OC(C)(C)C 917559769 VIMFFHQGSJNMSL-SCWWFSKWSA-N 439.339 5.393 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cc3cc(Cl)ccc3o2)cs1 917560277 VBZRMOIDXVTCAP-TWGQIWQCSA-N 436.920 6.432 30 20 IKED COc1ccccc1-c1cc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)no1 918628466 DXBKFUBYOROHEO-UHFFFAOYSA-N 441.462 5.204 30 20 IKED C=CCn1c(COc2ccccc2F)nn(CN(Cc2cccs2)C(C)C)c1=S 919954531 LYRQNIJPUMFDAK-UHFFFAOYSA-N 432.590 5.248 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 919966011 SYMSWTJWEGFRHB-JOCHJYFZSA-N 446.432 5.799 30 20 IKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4sc(C)nc4C)cc3)CCC2)c1 1787335874 KHUJQSNRVCAPBZ-UHFFFAOYSA-N 444.560 5.002 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc4sccc4[nH]3)cc2)CCC1)C(F)(F)F 1789371197 PTWGTTJDZDWXRL-UHFFFAOYSA-N 433.455 5.096 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cccc(Cl)c34)cc2)CCC1 1789393193 WYFBFWRXMQTJJN-UHFFFAOYSA-N 434.927 5.119 30 20 IKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)no3)cc2)CCC1 1789782484 ZAYCDXWZFQURQN-JOCHJYFZSA-N 449.576 5.044 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CCC1 1790294367 JLPPCFVUYGMRFY-UHFFFAOYSA-N 426.944 5.071 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3cccc(Cl)c3)CC1)C2 1798592952 XBRQBHPLIHMJMB-WKCHPHFGSA-N 429.004 5.002 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](CC)c2ccccc2)[C@@H]1c1cccnc1 1806273602 GTBMNTAVOUUQHJ-SDHSZQHLSA-N 447.623 5.274 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C3CC3)cc2)[C@@H]1c1cccnc1 1811847319 GFOZGOIPUTYTQZ-NXCFDTQHSA-N 443.591 5.047 30 20 IKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)n[nH]1 1822287508 MOQLDCMIETWWIU-SFHVURJKSA-N 447.366 5.017 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)C1 1823700448 OHSAYOPENQRPNL-GTCGAKFVSA-N 432.564 5.032 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 1823753474 QKASEUQDJVCVFB-AYVPJYCDSA-N 428.661 5.425 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](c2ccccc2)C(C)C)CC1 1831442210 PMUPSRQUEJUZJW-XZOQPEGZSA-N 446.582 5.257 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C(C)=C/c2cccnc2)CC1 1832198452 XQJWBVTZYSGCQD-FGNRIPBJSA-N 437.628 5.097 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc(F)ccc2F)CC1 1832774781 DQGAYWPUCCCCQD-QHCPKHFHSA-N 446.582 5.119 30 20 IKED Cc1ccc2nc(-c3ccc(NC(=O)CCc4c(C)[nH]c(=O)c(C#N)c4C)cc3)sc2c1 15510865 DSUWOPVDFVZBMB-UHFFFAOYSA-N 442.544 5.020 30 20 IKED O=C1N/C(=N/C2CCCC2)S/C1=C\c1cccc(NC(=O)c2ccccc2Cl)c1 21313898 MAXLETFVXKKGIT-UYRXBGFRSA-N 425.941 5.095 30 20 IKED CC(C)c1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cnn1-c1ccccc1 30613543 QDXDTHFKFVNNFM-UHFFFAOYSA-N 427.533 5.167 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 104796986 USHQWPVKEXSPAT-UHFFFAOYSA-N 430.533 5.355 30 20 IKED N#CCCN(Cc1cccnc1)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 115150433 CRNPCUUNQFUGCA-UHFFFAOYSA-N 444.585 5.540 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1 195621559 UXNMMQGQBUVKHU-UHFFFAOYSA-N 448.404 5.807 30 20 IKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccsc2)ccc1Cl 303777705 NWPXRQPYZCNBCW-UHFFFAOYSA-N 432.954 5.035 30 20 IKED CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 429043543 BFCLVPYDBLSODS-NQNGNYMJSA-N 445.972 5.205 30 20 IKED CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)N[C@H](CCCC#N)c3ccccc3)cc21 432903540 JYTWSOGEZPVUEU-HXUWFJFHSA-N 434.540 5.015 30 20 IKED CC(C)[C@@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccnc1 435104667 RSXLEQVQYBCJFN-XMMPIXPASA-N 428.536 5.288 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N[C@H]3C[C@@H]3c3ccccc3OC(F)F)c2)cc1 437448219 OHPLMGSYYDNQSF-YADHBBJMSA-N 434.442 5.025 30 20 IKED C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1nc(C2CCCCC2)no1 438031136 YTYVIDXWLMCRNK-INIZCTEOSA-N 431.496 5.664 30 20 IKED CCN(C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H](Cc1ccc(F)cc1)C(C)C 438081364 ZKRSSCZHKQNHTA-GCJKJVERSA-N 427.589 6.199 30 20 IKED N#Cc1ccccc1N1CCCN(C(=O)Nc2ccc(COCc3ccccc3)cc2)CC1 438376344 OTLQMYBQFAYPLC-UHFFFAOYSA-N 440.547 5.019 30 20 IKED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1Sc1ncnc2sc(C)c(C)c12 438461114 DMWHQUSOCXUSTL-JXFKEZNVSA-N 439.606 5.170 30 20 IKED C[C@H](Sc1ccccc1)c1ccc(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)cc1 439021805 QRIIFYKNAZVOCK-KRWDZBQOSA-N 439.544 5.432 30 20 IKED CC(C)Sc1ccccc1NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 439537887 VNWWRQCTJHGZFN-UHFFFAOYSA-N 445.544 5.215 30 20 IKED N#CCCCn1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c2ccccc21 447518694 DKDXBEPREONUGR-FQEVSTJZSA-N 435.512 5.430 30 20 IKED C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N(C)CC(=O)Nc1c(Cl)cccc1Cl 460387970 NGEDOMMYDIWFDE-UHFFFAOYSA-N 448.354 5.113 30 20 IKED CC[C@H](C)N(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccc(C(N)=O)cc1 463597538 BJJCQNNESCQMKK-INIZCTEOSA-N 431.467 5.034 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 464969201 YIIHKGCABSLUTE-UHFFFAOYSA-N 442.359 5.616 30 20 IKED Cc1ccc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)c(OC[C@H]2CCCO2)c1 467489986 BXRPUYLFWKBNQR-UYAOXDASSA-N 439.581 5.269 30 20 IKED COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)Nc1ccccc1S[C@@H](C)CC#N 470361622 DZTSGJXIVUEQQR-CABCVRRESA-N 433.961 5.792 30 20 IKED C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CCCN(c2ccccc2C#N)CC1 472650656 NFJBUHYJBYBKPW-OAHLLOKOSA-N 442.350 5.188 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccnc(Oc2ccccc2Cl)c1 472842589 UJOVPYPJYVZCSN-UHFFFAOYSA-N 435.911 5.071 30 20 IKED O=C(COc1ccc(F)cc1F)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 474260294 RTEKNZAMZVTEEM-CQSZACIVSA-N 427.291 5.172 30 20 IKED O=C(Nc1ccc(Br)cc1OC(F)(F)F)c1c(F)c(F)cc(F)c1F 476081600 WMNPBUMKNFJZEU-UHFFFAOYSA-N 432.089 5.156 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@H](C)c1ccccc1 476652383 BMGUJRBZLLNLGX-BSRJHKFKSA-N 445.950 5.242 30 20 IKED Cc1ccc(Br)c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 477466965 ZWUJXZIXNVONHF-UHFFFAOYSA-N 435.321 5.655 30 20 IKED Cc1ccccc1CC(C)(C)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 480102052 ZAMWABFDESPUNG-UHFFFAOYSA-N 437.594 5.153 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(OC(F)(F)F)cc1 481693888 HJZLESKQEAWQCU-AWEZNQCLSA-N 427.382 5.135 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 481943006 PFHAJETUZGUEMN-UHFFFAOYSA-N 427.430 5.205 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cccc(O[C@@H](C)CC)c2)nnc1-c1ccco1 497650302 CTRDSOFLGPNVOR-INIZCTEOSA-N 426.542 5.022 30 20 IKED C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1 500352307 WLRZHRXVXGLWQE-PMQPGWGVSA-N 438.955 5.406 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)c1ccccc1-c1ccccc1C#N)O[C@@H](C)C2 502345008 WVTNXFNKKRKAFV-XPEQFSOGSA-N 438.527 5.233 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H](c2ccccc2)c2cccnc2)cc1 503288309 YJXKNABXQRDHOH-MHZLTWQESA-N 448.526 5.638 30 20 IKED Cc1nc(CSc2ccccc2C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cs1 505959227 FEQWTIWCKNVACV-SFHVURJKSA-N 447.507 5.757 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@H]3/C=C/c3ccccc3)s2)cc1 506871944 DZAMITILPUOPPP-SJFMBGHLSA-N 447.589 5.412 30 20 IKED Cc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c(OCC(F)(F)F)c1 508002665 YKDCOTSELJHSPK-UHFFFAOYSA-N 440.421 5.639 30 20 IKED CC(C)N(Cc1ccc(F)cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509561190 PRYXIWFQYCYKKW-UHFFFAOYSA-N 431.511 5.913 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1Cl 510023521 NFCBQQBCDAJZNI-QHCPKHFHSA-N 430.939 5.350 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CC(=O)Nc1c(C)cccc1C 510904847 BZPOHWGKCVWVPY-UHFFFAOYSA-N 442.519 5.378 30 20 IKED C[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511372334 ICBAURWGYOPMNF-SFHVURJKSA-N 433.939 6.210 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCC(NC(=O)CC4CCCC4)CC3)cc2)cc1 511746263 RQTUACWDVNWOFR-UHFFFAOYSA-N 445.563 5.544 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 513600165 WHSOGNRVTNQEJO-UHFFFAOYSA-N 430.935 5.357 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)C[C@@H]1OCCc2ccccc21 513876089 IXQMYLTUQYSTBT-VWLOTQADSA-N 427.504 5.437 30 20 IKED Cc1ccc([C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)N2CCCC2)o1 513876860 SDPSEIKUVLOBEZ-DEOSSOPVSA-N 444.535 5.519 30 20 IKED COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)[C@H](C#N)c2nc3ccccc3o2)c1 515597299 IFNDOHFFHPWVGR-NRFANRHFSA-N 448.482 5.238 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(-c3ccc(Cl)s3)on2)cc1 516540555 BKDUKWSSZIKTII-UHFFFAOYSA-N 449.919 5.954 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2cccc(Cl)c2)c1)c1nc(-c2ccc(Cl)cc2)cs1 517306794 VPJFZTFRRMXTGP-SFHVURJKSA-N 439.327 5.793 30 20 IKED C=CC1CCN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CC1 518438722 OTJHUIJHVHSWKK-XDJHFCHBSA-N 433.533 5.560 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(OCC)c(F)c1 518514504 XIFGVKPXWZWWLU-UHFFFAOYSA-N 439.300 5.024 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1c(Cl)cc(Cl)cc1Cl 518663579 CXPZIPSFWPFJMD-LLVKDONJSA-N 429.756 6.059 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C1CCN(c2nc3ccccc3s2)CC1 520924094 IUYBGKNIKGGITI-INIZCTEOSA-N 436.606 5.546 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3oc4ccccc4c3CSc3ncccn3)[nH]c12 521311347 BLEDMVJTIRQAHQ-INIZCTEOSA-N 439.500 5.190 30 20 IKED CCc1noc(-c2ccc(CCNC(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)n1 521809355 CEVLOPXSMYTFNK-INIZCTEOSA-N 435.553 5.057 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2CCCOc3ccccc32)cc1 522472333 MOTCSEZJSIABTR-XMMPIXPASA-N 429.495 5.323 30 20 IKED COc1ccccc1-c1nn(C)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 524627835 IITFFDAYKUWXRQ-SFHVURJKSA-N 428.517 5.018 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N(Cc3cccs3)C[C@H]3CCCO3)c2)cc1 524664221 JNEXRTOOFMRMLC-JOCHJYFZSA-N 433.533 5.625 30 20 IKED N#Cc1cc(F)c(C(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)c(F)c1 531266469 KHBXMFXAJRHULD-QFIPXVFZSA-N 431.442 5.066 30 20 IKED CCO[C@H](C)c1nccn1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)CC)C2 534069556 QHUXIBWRMCSUJE-HZPDHXFCSA-N 428.602 5.094 30 20 IKED CC(=O)N1CC[C@H](NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c2ccccc21 536063329 NSIZDXQVZJGLQO-QFIPXVFZSA-N 445.906 5.232 30 20 IKED CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 543612691 HYLUYFMNMRYXRL-RCZVLFRGSA-N 445.494 5.874 30 20 IKED CN(C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 544569672 LLQPOIXINIMJMV-RPBOFIJWSA-N 429.495 5.433 30 20 IKED CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 552342273 GZAMZMZNKKKAEF-SFHVURJKSA-N 448.460 5.355 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCCC2(CCOCC2)C1 558985505 WBKWLTRJQROEJA-OAQYLSRUSA-N 446.595 5.544 30 20 IKED CC(C)(C#N)c1ccc(-c2nc(CC(=O)Nc3ccc(Oc4ccccc4)cc3)no2)cc1 569390286 ZVVNWKPURWAZMI-UHFFFAOYSA-N 438.487 5.511 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](C)[C@H]1c1cccc(F)c1 575369639 YRBPZSIPQJWDAR-IMNFJDCFSA-N 432.543 5.436 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 583350022 GXMSXOWNSRQBNL-LMNJBCLMSA-N 437.613 5.234 30 20 IKED O=C(N[C@H](c1ccc(F)cc1)C1CCC1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 591032585 CVICTXJEDTXFFB-LZWOXQAQSA-N 426.376 5.439 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2ccccc2OC)cc1 592337770 MCRISWCOPCHHPW-QHCPKHFHSA-N 433.552 5.269 30 20 IKED C[C@@H](Sc1ncnc2sc3c(c12)CCCC3)C(=O)N(CCC#N)c1ccc(F)cc1 597405382 PLTDHCUHHHWZFL-CQSZACIVSA-N 440.569 5.137 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1Cl 603739142 VPYBTIJTJWYYOH-AWEZNQCLSA-N 442.302 5.767 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(C(=O)NCC(C)C)cc1C 606774594 JYDIGKLORAPMEM-UHFFFAOYSA-N 434.458 5.217 30 20 IKED Cc1nc(-c2ccccc2)sc1CNC(=O)c1occc1COc1cccc(C#N)c1 608954598 PUCXVWIZPWVELL-UHFFFAOYSA-N 429.501 5.092 30 20 IKED CC(C)N(Cc1ccc(Br)cc1)C(=O)Nc1ccccc1SC[C@@H](C)C#N 609398184 JLXBIMXYKUMPGM-INIZCTEOSA-N 446.414 6.143 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(Sc2ccccc2)c1 609402398 KFZMYAXHEQUDBT-UHFFFAOYSA-N 429.545 5.087 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)NCc3ccccc3OCC(F)(F)F)c2)cc1 609642753 JYMVDCJTZYKVNF-UHFFFAOYSA-N 440.421 5.008 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N[C@H]3CCCC[C@H]3c3ccccc3)c2)cc1 609942671 SSJLPQGOXZWJGL-DQEYMECFSA-N 439.515 5.132 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](CCO)c2ccccc2)cc1Cl 610142054 RVLWOBNZDMUFFF-NZQKXSOJSA-N 433.939 5.283 30 20 IKED N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 616094706 VXCFIUGPTWTDQY-RPWUZVMVSA-N 432.365 5.667 30 20 IKED COc1ccc2c(c1)OCCN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1C)C2 619792826 CZZBEXURBGUMLZ-UHFFFAOYSA-N 429.476 5.094 30 20 IKED C=C(C)COc1cc(CN[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OC 622266628 VAMZIMWWBSHQPL-ZSHCYNCHSA-N 425.413 5.649 30 20 IKED C=CCn1c(S[C@H](C(=O)N2CCc3ccccc3C2)C(C)C)nnc1-c1cccc(C)c1 639428084 QHWIKJHVTXRWEW-QHCPKHFHSA-N 446.620 5.141 30 20 IKED CC(C)c1nnc(S)n1N=Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 725759437 RILWIQKEOBTDAV-UHFFFAOYSA-N 442.548 5.230 30 20 IKED O=C(CCc1nnc(-c2cc3ccccc3o2)o1)N1CCCSC1=Nc1ccccc1 726135129 YRZIRXBFUWDRRT-UHFFFAOYSA-N 432.505 5.069 30 20 IKED CC(C)(C)c1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccccc2)cc1 726571567 XNJZMDIZRHJSQS-UHFFFAOYSA-O 448.999 6.120 30 20 IKED CCN(Cc1ccc(CN(C)C)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 727589481 VIQDPHAJEIDQFA-SANMLTNESA-N 426.564 5.458 30 20 IKED COc1ccc(-c2csc3ncnc(NN=Cc4ccc(O[C@@H](C)C#N)cc4)c23)cc1 727684268 WIDLMSZBHVQQOT-HNNXBMFYSA-N 429.505 5.104 30 20 IKED COc1ccc2oc(C)c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)c2c1 728183554 WLACIAFZTIBHDO-UHFFFAOYSA-N 430.435 5.592 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3csc(-c4ccccn4)n3)cc2F)c1 728183659 ZHSLCVUEJFBNMG-UHFFFAOYSA-N 430.464 5.047 30 20 IKED CC(C)(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 729064339 HBGPGQQTDPAGNW-VWLOTQADSA-N 439.559 5.355 30 20 IKED N#CCn1c(C(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)cc2ccccc21 729326212 KNVMXWDMNOALIO-OAHLLOKOSA-N 430.360 5.703 30 20 IKED C=CCc1cc(CNCc2c(C)nn(Cc3ccccc3Cl)c2C)cc(OC)c1OC 729683182 CHLYLZNZXSKGQS-UHFFFAOYSA-N 439.987 5.237 30 20 IKED N#C[C@@H](C(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1nc2ccccc2s1 730071542 PFVCIWCHCIBUJH-KSFYIVLOSA-N 436.508 6.284 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)cc1 730396493 QXEWSTMZUYHOTC-XMMPIXPASA-N 446.934 5.371 30 20 IKED C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 730422130 UMQQTHNDFNWYDR-JXFKEZNVSA-N 430.504 5.670 30 20 IKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(C3CCC3)C2=O)cc1 730459116 HLPQKHFCZIPUEV-JOCHJYFZSA-N 449.576 5.019 30 20 IKED Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 731620871 QSWBMEWDXAKKHW-UHFFFAOYSA-N 430.504 5.150 30 20 IKED CCCOc1nc2ccccc2cc1/C=C/C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 731774129 LQUKGLJWIAHOTM-PDFOZTTASA-N 431.492 5.662 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](CC(F)(F)F)c1ccc(Br)cc1 731993371 DWFDJUDUHOLZRO-YVEFUNNKSA-N 442.231 5.325 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(N3CCC(O)CC3)cc2)c1 735115107 UFKJUVGVWNMRPY-UHFFFAOYSA-N 447.922 5.217 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)c3ccccc3OCc3ccncc3)c2)s1 739596204 ULKNUMUCFHJZQS-UHFFFAOYSA-N 425.513 5.191 30 20 IKED O=C(/C=C\c1ccc(Br)cc1F)c1ccc(S(=O)(=O)C2CCCC2)cc1 741446946 CRTXHACJTFSSHH-WQLSENKSSA-N 437.330 5.201 30 20 IKED CCCNc1ccc(C#N)cc1NC(=O)COc1ccc(C2SCCCS2)cc1 742185322 MKMJCWFMEDXPSG-UHFFFAOYSA-N 427.595 5.266 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)cc1 743093219 PDYWVIKDGODCRJ-UYAOXDASSA-N 438.314 5.904 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccc(Br)s1 744062122 PXZPKAQATPUQKP-BXUZGUMPSA-N 442.363 5.486 30 20 IKED Cc1ccc(Sc2ncccc2C(=O)NC2CCN(c3ccccc3C#N)CC2)cc1C 747335998 KWXQQKLKIDADJZ-UHFFFAOYSA-N 442.588 5.120 30 20 IKED Cc1cc(C(=O)N[C@H](C#N)c2cccc(Br)c2)c(C)n1[C@H](C)c1ccccc1 749613398 UZBAYDXAFRMURG-OPAMFIHVSA-N 436.353 5.471 30 20 IKED Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1nc(-c2ccccc2)cs1 755552566 IVKPAWIYQFSSRL-UHFFFAOYSA-N 432.361 5.546 30 20 IKED CC(C)(C)Oc1cccc(CCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)n1 758510700 XIPNKCAEMBILNS-HNNXBMFYSA-N 447.482 5.696 30 20 IKED C#CCNC(=S)/C(=C(/O)c1cc(C)c(C)c(C)c1C)[n+]1ccc(Cc2ccccc2)cc1 759055560 XTUFKTYKKKZZOI-UHFFFAOYSA-O 441.620 5.233 30 20 IKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(C2CC=CC2)C1=O)Nc1ccccc1F 759693110 FOBQHCZNJOWJFH-LJQANCHMSA-N 443.931 5.158 30 20 IKED N#C[C@@H](C(=O)c1sc2ccccc2c1CSc1ccccc1Cl)c1ccncn1 760342318 WMIDKEILVQIKIX-OAHLLOKOSA-N 435.961 6.127 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1sc(-c2ccccc2)nc1C(F)F 762018621 FLYBDAXDQJYJBZ-OAHLLOKOSA-N 435.455 5.743 30 20 IKED C=CCn1c(-c2ccccc2C)nn(CN2CCC(OCCc3ccccc3)CC2)c1=S 764923932 GNOQGKPZVYGPMA-UHFFFAOYSA-N 448.636 5.257 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CCCC[C@@H]2c2ccccc2OC)c1=S 764974497 CBJBZMNYNZNLAE-OAQYLSRUSA-N 435.597 5.245 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(N2C(=O)N[C@H](c3cc(F)ccc3F)C2=O)cc1Cl 771820797 WAMXYRGQVWCKQC-WIYYLYMNSA-N 437.833 5.071 30 20 IKED C[C@@H](NCc1ccc(-c2ccccc2C#N)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 774479959 STTNWKAOSZJVRG-MRXNPFEDSA-N 426.488 5.072 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 780159210 HZGPXKPDTIMWAF-CYBMUJFWSA-N 432.423 5.857 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc(-c2ccccc2)nc2ccccc12 780305789 OEKYYVCCKZREKF-IBGZPJMESA-N 425.875 5.516 30 20 IKED Cc1cc(Br)c2oc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cc2c1 783077537 SZEITKWTKAJJIN-QGZVFWFLSA-N 447.288 5.618 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)[C@@H](C#N)C(=O)NCc2cccc(Cl)c2)c1 786536550 OOONUCVRPYEFCU-JOCHJYFZSA-N 432.907 5.045 30 20 IKED Cc1sc2ncn(N=Cc3c(F)cccc3OC(F)(F)F)c(=O)c2c1-c1ccccc1 788967821 RNPPTQAXYHIZGQ-UHFFFAOYSA-N 447.413 5.353 30 20 IKED CN(Cn1nc(CC#N)n(C)c1=S)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 794631352 LSVYWBTXKBRPER-UHFFFAOYSA-N 432.380 5.003 30 20 IKED Cc1c(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)sc2ccc(C#N)cc12 796615880 UULSNHCVHMTHTO-AWEZNQCLSA-N 449.557 5.271 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)C(F)(F)F 796740015 OLLKJCOVXAFHFS-CVDCTZTESA-N 441.453 5.723 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)Cc2ccc(OCCOc3ccccc3)cc2)s1 797569796 XGPMWBJRCLGWPQ-NRFANRHFSA-N 434.561 5.317 30 20 IKED CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 799781548 DYODPIAMKNLIIK-FQEVSTJZSA-N 449.551 5.118 30 20 IKED N#CC1(CCCOC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)CCOCC1 800077053 YGYBNYOONQDTBW-ZPHPHTNESA-N 442.515 5.572 30 20 IKED C=CCCc1ccccc1NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1 800153142 WIRBBFOGLQPBOP-HXUWFJFHSA-N 443.975 5.757 30 20 IKED N#CC1(CCCOC(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)CCOCC1 800163645 PLRIDLQNQSHREU-NRFANRHFSA-N 431.504 5.442 30 20 IKED Cc1nn(C)c(Br)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 800845145 COIKYOHQUWPCNR-MRXNPFEDSA-N 443.732 5.052 30 20 IKED O=C(Nc1cccc(/C=C2\C[C@H](C(=O)O)c3ccccc3C2=O)c1)c1ccccc1Cl 806559375 AQGXKLXJOONCQT-AUFJSOOLSA-N 431.875 5.431 30 20 IKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccs2)c1 837382304 CWBCVOCTZLCWGF-FQEVSTJZSA-N 435.574 5.217 30 20 IKED CN(Cc1ccccc1NCc1cc(C#N)ccc1Br)C(=O)OC(C)(C)C 864007582 LPSRPGYCVNJKDT-UHFFFAOYSA-N 430.346 5.300 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1c(O)ccc2ccccc12 916273344 YHPRXKDSPAOANC-UHFFFAOYSA-N 445.931 5.828 30 20 IKED Sc1nnc(SCc2ccccc2)n1N=Cc1ccc(OCc2ccccc2)cc1 916368838 QOLRIJLIGVXIJP-UHFFFAOYSA-N 432.574 5.320 30 20 IKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)[C@H](C#N)c4nc5ccccc5[nH]4)cc3)ccc12 916627359 OMXBICLGMOPCAU-NRFANRHFSA-N 449.466 5.047 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)CSc1cccc2cccc(Cl)c12 916924635 AFPUNDMHBIMZOZ-MRXNPFEDSA-N 438.936 5.332 30 20 IKED COc1cc(C(C)=O)ccc1OCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 916974554 LSGSNOXSCYFKTM-HXUWFJFHSA-N 448.544 5.365 30 20 IKED CCOc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916997146 RTLYIIHKLVFHOQ-KRWDZBQOSA-N 447.343 5.771 30 20 IKED C[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 917399746 BLZLGHPGRYCSJQ-LJQANCHMSA-N 430.527 5.279 30 20 IKED Cc1ccc(C)c(OCCCCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 920323255 HJCVBSFMGHWBQT-KRWDZBQOSA-N 433.335 5.507 30 20 IKED COc1ccc(C2(C(=O)OCc3ccc(-c4ccccc4C#N)cc3)CCOCC2)cc1 920688990 IZEOEHKTBTXMGJ-UHFFFAOYSA-N 427.500 5.025 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C/c2ccc(O)c(Cl)c2)C(=O)c2ccccc2)c(Cl)c1 921265492 HOHFQRFOMQCMAS-LDADJPATSA-N 440.326 6.221 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCCc3ccncc3)cc2)CCC1 1786906848 RMDMTJPBLFNFNP-XMMPIXPASA-N 431.580 5.307 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc4ccoc4s3)cc2)CCC1 1788413518 QDWWQIXBUBZDNW-UHFFFAOYSA-N 438.549 5.225 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c[nH]nc4c3)cc2)CCC1 1788446774 UGJUQUDVDZSPIW-UHFFFAOYSA-N 428.536 5.079 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc5occ(Cl)c5c4)cc3)CCC2)C1 1790088892 BXAGCLCYMDETQG-UHFFFAOYSA-N 434.923 5.800 30 20 IKED CC(F)(F)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790705270 PMRMGQBRLNRGFK-UHFFFAOYSA-N 439.506 5.182 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)nc3)CCC2)cc1 1791247466 XYFRKQKARGDZKK-OAHLLOKOSA-N 431.458 5.060 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)CCc3c[nH]c4ccc(F)cc34)CCC2)cc1 1791584305 XUKJZKKORSQGOU-UHFFFAOYSA-N 445.538 5.177 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2csc(C)c2C)[C@H]1c1cccnc1 1802495986 HPWLQQQYVVXZKO-UNMCSNQZSA-N 439.625 5.072 30 20 IKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4ccccc4-c4ccc(C)cc4)CC3)C2)C1 1804787289 WRNBNWVYGYUIFI-UHFFFAOYSA-N 442.603 5.473 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CCc3cc(C)cs3)C2)CC1 1807050315 ALUNOADSKSKZPK-UHFFFAOYSA-N 430.658 5.213 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3[nH]ccc3s2)n[nH]1 1818789587 ZTLSMULABRWOPN-KRWDZBQOSA-N 439.585 5.251 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(C)(C)C)cc2)n[nH]1 1821149557 VSLRBBCGUKROSI-DYESRHJHSA-N 438.572 5.105 30 20 IKED C[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1828482223 GUJANVGEEPNUHT-NHTMILBNSA-N 444.736 5.093 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3cnccc23)CC1 1828653244 PVCOSSGRJJNMKW-ZEQKJWHPSA-N 445.607 5.237 30 20 IKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2C(F)(F)F)CC1 1829939409 OLLXDKGQPNDSCJ-JOCHJYFZSA-N 448.529 5.132 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ccoc3c2)CC1 1830904329 GSLUGNMHHRZYMV-QHCPKHFHSA-N 436.596 5.659 30 20 IKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)CC1 1831307834 PUGSFELYWROBBS-OAQYLSRUSA-N 437.411 5.122 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)OCC(=O)Nc2ccccc2Cl)cc1 9073388 QTBXOGISJZTCMA-UHFFFAOYSA-N 436.920 5.299 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10757014 GBTQVCRVJIFZCW-UHFFFAOYSA-O 441.979 5.997 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc4c(s3)CCCCC4)s2)cc1 14621544 HGWFXDNLURVWII-UHFFFAOYSA-N 426.592 5.285 30 20 IKED C=CCN(C(=O)c1cccc(OCc2csc(C)n2)c1)c1nc(-c2ccccc2)cs1 16707759 VJXSVNGTOPFUAA-UHFFFAOYSA-N 447.585 5.987 30 20 IKED COc1cccc(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccc3c(c2)CCCC3)c1 22728462 AAZHUVKELXXZFK-UHFFFAOYSA-O 437.610 5.282 30 20 IKED C=CCc1ccccc1OC[C@@H](O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 24099842 CKVULZHLLRTEGJ-LJQANCHMSA-N 446.576 5.022 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2Cl)C(C)C)nnc1-c1ccccc1 32316040 NPVAJKFNZCBKCF-LJQANCHMSA-N 426.973 5.540 30 20 IKED C=CCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1nc2c(s1)CCCC2 36647543 HUOHKFMOTDOTQH-UHFFFAOYSA-N 427.957 5.482 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc(OCc2cccc(F)c2)c1 108376094 RLJXYHAACMRVCL-UHFFFAOYSA-N 434.467 5.083 30 20 IKED CCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@H]1CCN([C@H](C)c2ccccc2)C1 261395690 MLHQZJCOBZCSCV-OFNKIYASSA-N 443.547 5.028 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)cc12 301757867 CGCXEYHUOXEJNG-QGZVFWFLSA-N 445.935 5.426 30 20 IKED COC(=O)c1sc2ncc(C(=O)/C=C/c3csc(-c4cccs4)n3)cc2c1C 303210733 RFNNTIQFDPKFBD-AATRIKPKSA-N 426.544 5.472 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)cc1 303411166 ADWHZHAYSUZUGC-NHCUHLMSSA-N 428.454 5.262 30 20 IKED O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1c(Cl)nc2ccccn12 303754315 GCBYIECLHBVTOU-VAWYXSNFSA-N 425.879 5.132 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCC(c3ccc(Br)cc3)CC2)c1 410413266 INJLWGMUDCLURV-UHFFFAOYSA-N 441.369 5.276 30 20 IKED N#C[C@H](C(=O)c1ccc(Br)c(C(F)(F)F)c1)c1ccc(C(F)(F)F)cn1 426175523 IGJRVPLINKDTIS-JTQLQIEISA-N 437.137 5.372 30 20 IKED C=C[C@@H]1CCCCN1Cc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 426558343 ILMPGQWPSIIOOA-GOSISDBHSA-N 448.485 5.272 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 431807210 FNVPXMUNCUXRDW-UHFFFAOYSA-N 445.342 5.313 30 20 IKED CCN(CC)C(=O)c1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1Cl 432707608 NRKPPBOQEUMSEE-NRFANRHFSA-N 426.948 5.379 30 20 IKED CN(Cc1ccccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 433763658 BSNYYLLLSBQGBU-UHFFFAOYSA-N 440.547 5.270 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c(C(F)(F)F)c3)n2)cc1 437378243 RTSFEQRJUFSRLU-CQSZACIVSA-N 431.826 5.844 30 20 IKED C=C(C)CN1CCC(NC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)CC1 438035799 ZRLXFFLUXRQPPL-UHFFFAOYSA-N 434.462 5.055 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2CCC3(CCOCC3)CC2)cc1 438578301 YIJMHCSMRKLJMO-UHFFFAOYSA-N 435.524 5.220 30 20 IKED Cc1ccnc(Oc2cc(NC(=O)NCCSCc3ccccc3C#N)ccc2C)c1 438679138 LNPYVZHSZLZGHQ-UHFFFAOYSA-N 432.549 5.417 30 20 IKED N#CCCCn1cc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c2ccccc21 444148711 QNLBYNOWWKEKKA-HSZRJFAPSA-N 439.519 5.362 30 20 IKED C=CCOc1ccc(-c2nc(CC(=O)Nc3ccccc3Oc3ccccc3)no2)cc1 445316620 GOPUXHOVEHTXDC-UHFFFAOYSA-N 427.460 5.275 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2cccc(-c3csc(C)n3)c2)c1C#N 445566605 YSBADENDKVKPID-UHFFFAOYSA-N 431.546 5.150 30 20 IKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446634045 BUXVIKVEEQIIBV-APMMTJHUSA-N 446.473 5.065 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCc1coc(-c2ccc(OCC)cc2)n1 448042706 KJFKOIQZEZDADL-UHFFFAOYSA-N 432.549 5.401 30 20 IKED C[C@H](C(=O)NC1(c2ccc(OCc3ccccc3)cc2)CCOCC1)c1cccc(C#N)c1 464057362 FVAMLDZRGXKFHU-NRFANRHFSA-N 440.543 5.063 30 20 IKED Cc1cc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc(C)c1OCc1cccnc1 464939872 PDJQSWPNZDLMMV-RPBOFIJWSA-N 425.532 5.189 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)CCc3nnc(-c4ccc(Cl)cc4)o3)c2)cc1 468917390 JXGCWJGZBPAZMJ-UHFFFAOYSA-N 444.878 5.625 30 20 IKED CC[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(F)cc(Br)c1 469210872 LUFLVGYLSLZILE-FQEVSTJZSA-N 444.348 5.734 30 20 IKED CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 470426191 AEELLLCGDHOKMA-LLVKDONJSA-N 444.326 5.412 30 20 IKED CCN(C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H]1CCN([C@@H](C)c2ccccc2)C1 473816169 HDIRYBSBVBCSAR-URVUXULASA-N 436.625 5.628 30 20 IKED CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)c1ccc(C(C)(C)C#N)cc1 475388685 QHNKCTBZFGHWTN-UHFFFAOYSA-N 433.527 5.767 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 475570621 LAZZEHMALVITRM-NRFANRHFSA-N 430.495 5.745 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 476371701 YGJRNHNESALJHK-MGPUTAFESA-N 448.419 6.163 30 20 IKED CCOC[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C1 477794005 GDLAGQLWDLWVPM-OAHLLOKOSA-N 433.430 5.260 30 20 IKED Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)o1 480313723 JEMRSDTXODKQOP-DFBJGRDBSA-N 443.547 6.238 30 20 IKED C=CCn1c(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)nnc1-c1cccs1 481367160 CSGKRDZVIVOJOR-OAHLLOKOSA-N 442.635 5.202 30 20 IKED C[C@H](c1c(F)cccc1F)N(C)C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482457994 UGYZMOYYDHGURV-QLJPJBMISA-N 438.343 5.572 30 20 IKED CCN(CC(=O)Nc1ccccc1SCC#N)[C@@H](C)Cc1ccccc1C(F)(F)F 483429560 ZQMQZWRKAYMPHI-INIZCTEOSA-N 435.515 5.213 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 483858701 MHRCOHHLJIGKNJ-FQEVSTJZSA-N 431.458 6.101 30 20 IKED CCOC(=O)c1csc([C@@H]2CCCN2C(=O)Nc2cccc(C#Cc3ccccc3)c2)n1 484303941 HFPCGZPHWZPSBQ-QFIPXVFZSA-N 445.544 5.089 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC(c2cccc(Cl)c2)CC1 485250630 JQQUZBXAKROFPV-MRXNPFEDSA-N 441.984 5.079 30 20 IKED COc1cccc2[nH]cc(CC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c12 487744564 UBBAAZNXMFBEKQ-UHFFFAOYSA-N 425.488 5.003 30 20 IKED C=C[C@H]1CCCCN1C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 488333063 MGPZPYIXFRUZKA-KRWDZBQOSA-N 435.421 5.669 30 20 IKED O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)NC12CCC(C(F)(F)F)(CC1)CC2 488660970 MRMYSLXBFPPNSP-JEYLPNPQSA-N 430.339 5.523 30 20 IKED Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cccc(Oc5ccc(C#N)cc5)c4)C3)[nH]c2c1 489957183 NMHJZQAIYDLYPH-OAQYLSRUSA-N 436.515 5.555 30 20 IKED Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 490632296 VHWDQQQDAUPRFO-GOSISDBHSA-N 434.923 5.700 30 20 IKED CCN(C(=O)CCCCOc1cccc(C#N)c1)[C@H](c1ccc(C)cc1)c1cccnc1 496475798 WHZSMZZTPPBFEL-HHHXNRCGSA-N 427.548 5.449 30 20 IKED CCN(C(=O)c1cccc(CC#N)c1)[C@@H](c1ccc(Br)cc1)c1cccnc1 496512935 FOYJIADRSHRWPH-QFIPXVFZSA-N 434.337 5.162 30 20 IKED C=CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 497549940 HQCVEPDTRMCIGX-QZTJIDSGSA-N 441.459 5.319 30 20 IKED CCc1nc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)nn1-c1c(Cl)cccc1Cl 499323696 LZHBTLIMZFZGRA-UHFFFAOYSA-N 442.350 5.311 30 20 IKED CC(C)c1nc([C@@H]2CCCCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)no1 500755707 ZVBRYDCREKFZPJ-QFIPXVFZSA-N 445.523 6.006 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(COC(C)C)c1 502656221 UQIZKXIRKNVQSA-UHFFFAOYSA-N 435.337 5.733 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1 504311188 HEEBTEXETHTTMI-UHFFFAOYSA-N 444.322 5.220 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)C3(c4ccc(Cl)cc4)CCCCC3)CC2)c1 504633860 BSIGMHOKTJYFGB-UHFFFAOYSA-N 449.982 5.291 30 20 IKED Fc1ccc(-c2noc(CN[C@H](c3ccccc3C(F)(F)F)C(F)(F)F)n2)cc1F 505835607 YFZPHPZBFLEMND-OAHLLOKOSA-N 437.290 5.427 30 20 IKED C[C@H](NC(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1)c1ccc(C#N)cc1 509709622 CRNODABHEPTFMD-ICSRJNTNSA-N 435.572 5.104 30 20 IKED CCCOc1ccccc1Oc1ncccc1CNC(=O)Nc1ccc(C(C)(C)C#N)cc1 510605831 NIJREUCABSMNIN-UHFFFAOYSA-N 444.535 5.786 30 20 IKED CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511362508 LFARVEJSMFHWRX-HSZRJFAPSA-N 431.561 5.934 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccccc2)cc1Cl 511504745 ISEUMCBIRIKELP-LADGPHEKSA-N 443.934 5.298 30 20 IKED O=C(c1ccc(C(F)(F)F)cc1N1CCCC1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 512734638 KRMBCOMUVQFXBU-UHFFFAOYSA-N 448.329 5.263 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2ccccc2CSc2nc3ccccc3o2)nc2ccccc21 513671262 HLVNNXIVGYXXGB-SFHVURJKSA-N 438.512 5.497 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3cc(F)c(F)cc3Br)cc2)ccn1 517061918 IYCFHALFADKLPW-UHFFFAOYSA-N 430.208 5.039 30 20 IKED Cc1cnc(-c2cccc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)c2)o1 517508146 HDMQQHLBOWTCAO-UHFFFAOYSA-N 425.492 5.296 30 20 IKED COc1ccc(COCCCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 518754640 UWFZBJJMOQFGHE-UHFFFAOYSA-N 431.492 5.088 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1 519516647 WVOSARBHXQECLJ-CQSZACIVSA-N 444.528 6.663 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 520136041 LCUJQSROGJZPFU-UHFFFAOYSA-N 444.463 5.140 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H]3CCCO[C@@H]3c3ccccc3)cc2)c1 520195686 HRBKJQCOLMJMTB-SQJMNOBHSA-N 427.504 5.640 30 20 IKED COc1ccc(CN(C)C)cc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 522651227 FEIZQTKLMWXKBE-UHFFFAOYSA-N 435.911 5.326 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccc(C(C)C)cc2)o1 524290517 SETNTFCIXLDMAJ-MRXNPFEDSA-N 427.595 5.617 30 20 IKED Cc1[nH]c2ccccc2c1C1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 524486648 JUYJKWNXGAVATL-LJQANCHMSA-N 432.543 5.130 30 20 IKED N#Cc1ccc(SCC(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)c(F)c1 525116525 ZVPCPHMIRRSVQX-UHFFFAOYSA-N 437.565 5.358 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)Nc3cccc(Cl)c3Cl)c2)c1 527104007 XVHIEYNQXBRKOY-UHFFFAOYSA-N 440.286 5.021 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(c2nc(C)c(C)s2)CC1 532812387 SPEKBTAARYSACM-UHFFFAOYSA-N 447.564 5.086 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cc(S(C)(=O)=O)ccc1C)c1ccc(C(F)(F)F)cc1 533084876 JWXPJMNYZWBUHU-GOSISDBHSA-N 440.487 5.246 30 20 IKED COc1ccccc1[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccccn1 534842305 WJVSAVAIMHSQNV-AREMUKBSSA-N 435.483 5.274 30 20 IKED CCC[C@H](C)N(C(=O)c1ccc(C2(C#N)CC2)cc1)c1nc(C)c(C(=O)OCC)s1 537419195 UKGIUBDGHPWBGD-HNNXBMFYSA-N 425.554 5.019 30 20 IKED CCOC(=O)c1c(NC(=O)N2CCC(CC#N)CC2)sc(C)c1-c1ccc(C)cc1 541972041 ROYALPVIFJQBDU-UHFFFAOYSA-N 425.554 5.366 30 20 IKED C[C@@H](NC(=O)Nc1ccccc1SCCC(N)=O)c1ccc(-c2cccc(C#N)c2)cc1 542025865 NFZFTWIETSDVNC-QGZVFWFLSA-N 444.560 5.075 30 20 IKED CCCc1c(NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cnn1-c1cc(C)ccn1 545514269 HOOOUGHLCQYRSH-UHFFFAOYSA-N 428.418 5.063 30 20 IKED C[C@@](C#N)(NC(=O)CCc1ncc(-c2ccccc2Br)o1)C1CCCCC1 550743422 QPRYGCGWKALVSK-NRFANRHFSA-N 430.346 5.015 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CNC1(c2cccc(C(F)(F)F)c2)CC1 553357371 PLESBNCQNYNMPP-OAHLLOKOSA-N 433.499 5.175 30 20 IKED CC1(c2cccc(Cl)c2)CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 560686081 JJLYTQCQFJBOMW-UHFFFAOYSA-N 439.962 5.147 30 20 IKED C=C(C)Cn1c(SCC(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)nnc1-c1ccco1 563708445 PBOPCGNBTJEDDD-NJYVYQBISA-N 448.592 5.001 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCN(c2ccccc2F)C1 565414578 UGLNQAGSZWHQBK-OAQYLSRUSA-N 429.495 5.050 30 20 IKED COC[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(Cl)c1 584255584 OEMBKYGUUJOASM-XMMPIXPASA-N 449.938 5.494 30 20 IKED CC(C)N(Cc1cccc(F)c1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 586792254 ZECRYMFNIUIDKC-FOLVSLTJSA-N 428.392 5.655 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC2)c(C)c1 590700250 CAJHNMCOPWHQGZ-UHFFFAOYSA-N 438.527 5.703 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3c(C(=O)c4ccco4)oc4ccccc34)cc2)nc1 599471714 WLRXJMHMJXEWEW-UHFFFAOYSA-N 449.422 5.568 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1Cl 603765880 BKCNQYOVVFZQGS-UXHICEINSA-N 433.870 5.199 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2nc3ccccc3s2)cc1Cl 603766318 RLJNTLKDQIURRE-IBGZPJMESA-N 431.948 6.176 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N(Cc1ccc(F)cc1)CC1CC1 604640286 XEKPFVVIMAUMFD-GJZGRUSLSA-N 440.403 5.657 30 20 IKED O=C(Nc1ccc(Br)c(F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 608328717 JZRBENSJNUXDML-YUMQZZPRSA-N 437.153 5.183 30 20 IKED CC[C@H](c1ccccc1)c1nnc(S[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)o1 609019217 MJQXRJFANRNUEG-SIKLNZKXSA-N 448.592 5.656 30 20 IKED Cc1cc(C)c(NC(=O)CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(C)c1 609208722 HJUWMPIVQMJJJU-UHFFFAOYSA-N 428.492 5.036 30 20 IKED Cc1ccccc1CN(C)C(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 609387387 ZSAUQTIKXWSQBJ-INIZCTEOSA-N 435.515 5.479 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 609436056 UIQAKTDDWLQXDW-XXBNENTESA-N 443.572 5.120 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)c1 609556406 GGCACEDTKWJQTN-UHFFFAOYSA-N 428.414 5.192 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc4cccc(F)c4o3)s2)c(C(F)(F)F)c1 610224125 CTSZBXLYYUQEQA-UHFFFAOYSA-N 445.397 5.762 30 20 IKED C[C@@H](NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1)c1cccc(C#N)c1 610360922 KWGGNZNGNGLYAD-OAHLLOKOSA-N 448.320 5.064 30 20 IKED Cn1ncc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1C(F)F 611161869 HUELEVQIYJHOGO-UHFFFAOYSA-N 431.830 5.106 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H](C[C@H]3CCOC3)C2)cc1 611357283 RFFVGPYZONSIKV-FGZHOGPDSA-N 433.552 5.002 30 20 IKED N#C[C@H](C(=O)c1ccc(OCC(F)(F)F)cc1)c1nc(-c2ccc(Cl)cc2)cs1 613320392 XFQTXUAIFYCDEE-MRXNPFEDSA-N 436.842 5.895 30 20 IKED Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1 614439844 OJWGIBHCPYHMFS-OAQYLSRUSA-N 432.483 5.538 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N[C@@H]3CCc4cc(C#N)ccc43)s2)cc1 618813000 KVJGOHNDSJOLDE-QVKFZJNVSA-N 432.549 5.047 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2ccc(Br)cc2)nnc1-c1ccc(F)cc1 669910158 WKHWAWFPZOAACU-CYBMUJFWSA-N 446.345 5.396 30 20 IKED O=C(Nc1ncc(Cc2ccc(F)cc2)s1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674419492 UNTXERFHOZUSRE-CHWSQXEVSA-N 441.372 5.078 30 20 IKED Cc1cc(C(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c(C)nn1 680005397 QUBHKIQMMHUCBC-ZDUSSCGKSA-N 445.285 5.164 30 20 IKED Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 726079968 ILPXDZPPDRTOHW-UHFFFAOYSA-N 426.561 5.251 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C/c3ccccc3Br)SC2=S)cc1Cl 726626532 HZVHJNPQBPNFBL-CHHVJCJISA-N 435.755 5.380 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1C 728061896 AYLZBRULWLGSAG-LJQANCHMSA-N 429.520 5.284 30 20 IKED N#C[C@H](C(=O)C[C@H](c1ccccc1)C(F)(F)F)C(=O)Nc1cc(Cl)cc(Cl)c1 728766570 CEZIMSLGZNFNGW-HZPDHXFCSA-N 429.225 5.377 30 20 IKED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 729573485 XJYAACWYDKEWNN-UHFFFAOYSA-N 449.473 6.273 30 20 IKED N#C[C@@H](C(=O)Cn1ncc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 730688417 WMOUWELSGOBTIN-HNNXBMFYSA-N 427.316 5.343 30 20 IKED CC(C)Sc1ccc(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 731074254 MUFODEGNZCTCFA-MRXNPFEDSA-N 428.579 5.234 30 20 IKED COc1cc(/C=C\C(=O)c2cnn(-c3cccc(Cl)c3)c2C)cc(Br)c1O 731565092 DQUCURFHTIFPQB-SREVYHEPSA-N 447.716 5.207 30 20 IKED Cc1csc(SCc2ccc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)cc2)n1 731643575 IFRYZPMGHYJFHW-SFHVURJKSA-N 448.400 6.045 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Oc3ccc(Sc4ccncc4)cc3)cc2)nc1 731983303 BOKFJGQKHQTRGE-UHFFFAOYSA-N 425.469 5.511 30 20 IKED N#CCOc1ccc(CC(=O)Nc2ccc(Oc3ccc(F)cc3)c3ccncc23)cc1 731987766 QYEMEOMZNYPHSY-UHFFFAOYSA-N 427.435 5.250 30 20 IKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cnn1-c1ccccc1Cl 732709180 YUPUZOPGBVUYTC-ZDUSSCGKSA-N 447.709 5.102 30 20 IKED CC(C)c1ccccc1N=C1SCCCN1C(=O)C1CCN(CC(F)(F)F)CC1 732931289 PYQCHGIFLTYTEL-UHFFFAOYSA-N 427.536 5.037 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1 733927290 MHNWZSGXBWOUCH-UHFFFAOYSA-N 428.879 5.276 30 20 IKED CC(C)OC(=O)NCc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 735171405 BLEDOYOGCSUKKB-UHFFFAOYSA-N 445.479 5.024 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1 738896354 OFWLTCCUEAKLKT-WIOPSUGQSA-N 441.506 5.608 30 20 IKED Cc1nn(-c2ccc(Br)cc2)c(C)c1C=NNc1cccc(C(F)(F)F)n1 739422315 VPMYKGOMPOQHRZ-UHFFFAOYSA-N 438.251 5.111 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2[C@H]3CC[C@H]2c2ccccc23)c1=S 739879256 JBSYSOKFVYRBOF-SFTDATJTSA-N 438.984 5.682 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCSCc2ccccc2C#N)c(Cl)c1 740777124 SMRLPIBIBYZMRT-UHFFFAOYSA-N 445.972 5.222 30 20 IKED COc1ccc(-c2cnc(CCC(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)o2)cc1 746417002 XDGJQRRDWZXSHT-INIZCTEOSA-N 437.908 5.422 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc(OC)c(F)c1)C(=O)c1ccccc1 747149734 GLXWRBJIVQJNMQ-JWGURIENSA-N 431.507 5.864 30 20 IKED CC[C@H](C)n1c(SCC(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1ccccc1 749750446 CSFJMZZLJDHZGA-IBGZPJMESA-N 433.581 5.264 30 20 IKED C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1C#N)C(=O)Nc1ccccc1-c1ccccc1 758116150 NHAOEMOAXZELNB-OAHLLOKOSA-N 438.405 5.428 30 20 IKED COc1cc(C(=O)/C=C\c2ccc(OC)c(O)c2Br)ccc1SC(F)F 761008798 ARBYLNZSGMQDIT-UTCJRWHESA-N 445.281 5.383 30 20 IKED N#Cc1cccc([C@@H]2CN(Cn3nc(-c4ccco4)n(C4CCCCC4)c3=S)CCO2)c1 761300418 QSGFFQGVYOTZIV-QFIPXVFZSA-N 449.580 5.082 30 20 IKED CC(C)[C@H](NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)c1cccc(C(F)(F)F)c1 761681330 SKKUQTVKSKCPRL-SFTDATJTSA-N 431.458 5.057 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cccc(Br)c1O 765733383 XWOBDWZWBOAIMB-UHFFFAOYSA-N 439.334 5.108 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCCOc1ccc2c(c1)CCCC2 766257730 NXKWKWWGFIDQNW-XMMPIXPASA-N 432.564 5.197 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)c3ccc(Br)cc3)n2)cc1 766623763 DHKOOPIPPYJMAK-FZKQIMNGSA-N 441.350 5.561 30 20 IKED Cc1cc(NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)nn1CCC#N 768053637 DPVRXIBIIOQMIK-UHFFFAOYSA-N 433.562 5.260 30 20 IKED C[C@H](C#N)Oc1ccc(CN2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)cc1 769383777 ITVIJCYPALZUPS-GOSISDBHSA-N 444.510 5.319 30 20 IKED N#C[C@@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)c1nc(-c2ccncc2)cs1 770419987 VIACOQVEHOLACE-HVVQPJKBSA-N 433.842 5.681 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CN(Cc3ccccc3)c3ccccc3)n2)cc1 772646297 UEUPIHRHBIANDA-DEOSSOPVSA-N 448.551 5.565 30 20 IKED N#C[C@H](C(=O)CCCCC(=O)c1ccc(F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 778607605 NUHXIJQXJGYUJS-MRXNPFEDSA-N 448.441 6.074 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 780675484 QYZSFTQYIVFLQP-VLIAUNLRSA-N 428.330 5.403 30 20 IKED CC(C)N(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1O[C@@H](C)C#N 780679777 ZBDTXHPRJUUGCS-AWEZNQCLSA-N 434.309 5.322 30 20 IKED FC(F)Oc1ccc(NC(=S)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cc1 781111225 XROWFRODJKKGIF-ZDUSSCGKSA-N 442.356 5.479 30 20 IKED COc1ccc(-c2nn(CN3CCC[C@@](C)(C#N)C3)c(=S)n2C2CCCCC2)cc1 784016732 WPSSYBGKZTURIR-QHCPKHFHSA-N 425.602 5.178 30 20 IKED N#C[C@@H](C(=O)CCc1cc(F)ccc1Br)c1nc(-c2ccccc2)cs1 784833350 IQFJHJRBOOVGJS-INIZCTEOSA-N 429.314 5.521 30 20 IKED C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cc(Br)cc(Br)c1O 787028799 WJWQXSRYVBBFPZ-QGHHPUGFSA-N 436.147 5.127 30 20 IKED C#CCC1(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)CCCCC1 788211560 NDHSLQCMHPEWJG-UHFFFAOYSA-N 433.527 5.328 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 799398214 FUPHMZQXBGAAON-QZTJIDSGSA-N 446.617 5.097 30 20 IKED CC(C)C(=O)c1ccc([C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 802052466 AMBVRKYBJVMNGQ-IERDGZPVSA-N 427.529 5.500 30 20 IKED COc1cc(/C=C/C(=O)c2cc(Cl)c(N)c(Cl)c2)cc(OC)c1OCC(F)F 809157294 JHSJUNRQSRZIIT-ONEGZZNKSA-N 432.250 5.133 30 20 IKED C[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccc(N2CCCOC2=O)cc1 814302271 CIKYPGXBWWKQCN-FQEVSTJZSA-N 441.531 5.335 30 20 IKED C=CCc1cc(CNc2cc(C(=O)N(C)c3ccccc3)ccc2Cl)cc(OC)c1O 864007513 ZWQUZSDWIYZXKH-UHFFFAOYSA-N 436.939 5.671 30 20 IKED O=C(C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(C2CC2)C1=O)Nc1ccccc1 916217756 WOCQQYHWYYAOAE-QGZVFWFLSA-N 434.348 5.116 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 916940194 SOVXEFKKIJWQQO-AWEZNQCLSA-N 448.306 5.526 30 20 IKED Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 917669036 LXQVDPLKCGCGOP-RUZDIDTESA-N 433.511 5.362 30 20 IKED Cc1ccc(-c2nc(C=Nn3c(S)nnc3Cc3cccc4ccccc34)cs2)cc1 918709719 SPZOKCWNHZUBKA-UHFFFAOYSA-N 441.585 5.625 30 20 IKED N#C[C@@H](C(=O)C1(c2ccc(F)cc2)CCOCC1)c1nc(-c2c(F)cccc2F)cs1 920806065 SGXLFHVUDYXUKR-INIZCTEOSA-N 442.462 5.152 30 20 IKED C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1cccc(N2CCOC2=O)c1 920950006 GXHBQAOATBKFJM-QGZVFWFLSA-N 443.528 5.157 30 20 IKED CCN(Cc1cccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c1)C(=O)C(F)(F)F 921280368 GCBQJWOOZSXCPD-UHFFFAOYSA-N 436.327 5.008 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@@H]4c4ccc(F)c(F)c4)cc3)CCC2)C1 1786175586 XTYFVBOPARDGQD-RTWAWAEBSA-N 436.502 5.169 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CNc4ccccc43)cc2)CCC1 1788045567 BXCCLQMTYHJCBF-QFIPXVFZSA-N 431.580 5.322 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3nc4ccccc4o3)cc2)CCC1 1790850750 SDURSJVHWISABY-UHFFFAOYSA-N 429.520 5.344 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnn(C(C)(C)C)c3Cl)CCC2)cc1 1791243371 MFTGNXCVGVOZEW-INIZCTEOSA-N 442.991 5.251 30 20 IKED CCCCCc1ccc(/C=C/C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCC#N)n[nH]2)cc1 1817116966 HJFBRCLHIRGNGM-TVXVBNPNSA-N 447.583 5.152 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ccoc23)[nH]n1 1819308899 GWZMRHWFLHVRAC-RXVVDRJESA-N 432.524 5.230 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ccoc23)CC1 1823753668 XENPOSAWNVQSBL-HSZRJFAPSA-N 436.596 5.659 30 20 IKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3sccc3s2)CC1 1828547469 UKDOEIFIPZMHGL-QGZVFWFLSA-N 448.679 5.115 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(C)c3Cl)CC2)C1 1832563779 XCRHBVBYGGIIBB-NRFANRHFSA-N 449.422 5.501 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)cc2OC)CC1 1832583988 SGWHHAKLSKALID-UPVQGACJSA-N 438.612 5.005 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3CC4(CCC4)C3)CC2)c1 1832635952 ZUQHZRVJPNHTIY-NBGIEHNGSA-N 447.623 5.127 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(Cl)c(Cl)c(Cl)c1 1847534177 OXXZTLHAOJHXKE-ROUUACIJSA-N 441.786 5.231 30 20 IKED C=CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccccc1OC 9204952 OSTDJSTZKAYBHA-UHFFFAOYSA-N 449.363 5.177 30 20 IKED CC(C)c1cc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c2ccccc2n1 14634690 KMAIZQJRALEBNO-UHFFFAOYSA-N 445.573 5.626 30 20 IKED O=C(/C(=C(/S)Nc1ccc(OC(F)(F)F)cc1)[n+]1ccccc1)c1ccc(F)cc1 14872520 KKGDGRYIYLYXQC-UHFFFAOYSA-O 435.422 5.063 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1/C(O)=N/c1nnc(Cc2ccccc2)s1 21565241 RBTQJVARGKFHCC-UHFFFAOYSA-N 426.954 5.851 30 20 IKED N#Cc1ccccc1/C=C/C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 22182324 KUCYVKOUCWODIP-JXMROGBWSA-N 425.366 5.074 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(OCC)cc2)=C(/S)Nc2cccc(C)c2)cc1 22729115 JFQPEUSZYYYPBW-UHFFFAOYSA-O 433.597 5.685 30 20 IKED Cc1cc(C)cc(N/C(S)=C(\C(=O)c2cc(C)[nH]c2C)[n+]2ccc3c(c2)CCCC3)c1 23603900 LVDOVHVVPLNKDU-UHFFFAOYSA-O 432.613 5.466 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCc1nc(-c2ccc(C(C)C)cc2)no1 30969519 BYSWWFYFDXCYJQ-UHFFFAOYSA-N 431.565 5.521 30 20 IKED C=CCn1c(SCc2nc3sc(C)c(-c4ccc(C)cc4)c3c(=O)[nH]2)nnc1C1CC1 36821469 DIEYKJURLQSUGB-UHFFFAOYSA-N 449.605 5.216 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ncc(-c2ccccc2)o1 41647371 YIITXGNSAVXZQH-UHFFFAOYSA-N 438.940 5.644 30 20 IKED Cc1ccccc1-c1nn(-c2ccccc2)cc1/C=C/C(=O)c1cccc(N2CCOC2=O)c1 60203653 MSPBOKZKWUSOQH-CCEZHUSRSA-N 449.510 5.700 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCc2nc3ccccc3s2)cc1 96946207 ZUKFCTVRGWKEQP-UHFFFAOYSA-N 429.570 5.433 30 20 IKED C=CCN(CCc1ccccc1)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 109329041 ZRPYRIUBVMGLQP-UHFFFAOYSA-N 426.969 5.175 30 20 IKED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CS[C@@H]1CCCc3ccccc31)CCCC2 110312195 CKWNNXSNYXZUQO-NTKDMRAZSA-N 449.620 5.167 30 20 IKED C[C@@H](Sc1nc(-c2ccc(F)cc2)cs1)C(=O)N(CCC#N)c1ccc(F)cc1 218628225 IYYJVSZNYLCIFL-CQSZACIVSA-N 429.517 5.516 30 20 IKED CC(C)Oc1ccc(NC(=O)C(=O)N(Cc2ccccc2)[C@@H](C)c2ccccc2)cc1C#N 435500672 LWRINUAPKXTGOX-FQEVSTJZSA-N 441.531 5.074 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(Cc1ccccc1)C1CCCCC1 437280027 YMUYSQCSYOZASR-LJQANCHMSA-N 435.593 5.238 30 20 IKED O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)Nc1cccc(COCC(F)(F)C(F)F)c1 438621856 JYKNCVFEYDSFII-JSGCOSHPSA-N 444.391 5.594 30 20 IKED C[C@@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)N(CCC#N)c1ccccc1 439651137 RPOHCFAYPAUFRB-GOSISDBHSA-N 428.467 5.237 30 20 IKED CCN(C(=O)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)[C@H](C)C(C)C 441825433 PBAZGKKLTUHXGQ-OAHLLOKOSA-N 447.457 5.201 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)s2)cc1OC 443884039 LZJXJTHBFJJRQJ-UHFFFAOYSA-N 447.438 5.279 30 20 IKED CCn1c(CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)nc2c(F)cccc21 444746720 YZTPTZGEHVNTBK-HNNXBMFYSA-N 433.371 5.997 30 20 IKED N#C[C@H](C(=O)c1ccc2cc(Br)ccc2c1)c1nc(-c2ccncc2)cs1 448317000 CGJXDBXJTWJYJS-GOSISDBHSA-N 434.318 5.611 30 20 IKED Cc1ccccc1[C@@H]1CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@@H](C)CO1 460401935 DZYZNDCSLXQHIJ-FNZWTVRRSA-N 426.516 5.048 30 20 IKED C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(c2ncc3n2CCCC3)CC1 460773518 KZFCBHMVDQRCDB-UHFFFAOYSA-N 442.567 5.184 30 20 IKED Cc1nn(C)c(Sc2ccccc2)c1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 464500748 CFCAGOFQYVBXHV-HNNXBMFYSA-N 438.965 5.633 30 20 IKED O=C(Nc1ccccc1CCC(F)(F)F)c1nnn(-c2ccccc2F)c1C(F)(F)F 465478995 KELVRRKGDYGDET-UHFFFAOYSA-N 446.326 5.172 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(-c2cccnc2)cc1 466955269 NWWJRNLSQUGDDN-UHFFFAOYSA-N 434.499 6.043 30 20 IKED C=CCOc1ccc(CN(C(=O)C2CCN(c3nc4ccccc4o3)CC2)C(C)(C)C)cc1 467872621 UXXAOJZMLSNUOE-UHFFFAOYSA-N 447.579 5.436 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl 475553689 GDWCMSCRXALISP-INIZCTEOSA-N 437.367 5.407 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F 475560235 SQFMZOQYMQQNJT-NRFANRHFSA-N 445.485 5.262 30 20 IKED CN(c1ccccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)C1CCCC1 476636531 YBHBYTVOCUHSPW-UHFFFAOYSA-N 436.531 5.151 30 20 IKED N#CC[C@@H](CC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)c1ccccc1 476675538 KXLIWPRAIYTWTQ-KRWDZBQOSA-N 435.886 5.757 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(NC(=O)CCCc2cccs2)c1 477119549 BTGFRCMSXHIAOI-UHFFFAOYSA-N 445.588 5.634 30 20 IKED CN(Cc1ncc(-c2ccccc2)[nH]1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 478518741 QUWQIZSAEZNKJB-UHFFFAOYSA-N 426.451 5.152 30 20 IKED CC(C)(CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)C(F)(F)F 479729619 LYGQHEILECRFKL-UHFFFAOYSA-N 435.393 5.541 30 20 IKED CCOc1ccc(C(=O)CCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 488013467 IFNFTCGLHYOFHJ-UHFFFAOYSA-N 444.506 5.288 30 20 IKED C=CCN1CCC(NC(=O)N(C)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 489283082 QMYCWPCBBBWDDZ-UHFFFAOYSA-N 432.395 5.375 30 20 IKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(-c2ccncc2)cc1 491300925 PKUHRFJGRGZJNS-FQEVSTJZSA-N 449.579 6.404 30 20 IKED CCN(CCc1cccs1)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 491479223 KMQJOVDNQLIPAV-UHFFFAOYSA-N 449.601 5.055 30 20 IKED CC[C@H](CSC)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 496333805 UBRWJLKAJUUMHZ-CQSZACIVSA-N 442.532 5.230 30 20 IKED C=CCc1cc([N+](=O)[O-])ccc1OCc1csc(N(C(C)=O)c2ccc(C)cc2C)n1 498097587 HLLZLOOHQRVAJI-UHFFFAOYSA-N 437.521 5.660 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(C)cc1OCC(F)(F)F 499305959 XOGQBAXPKJPASS-UHFFFAOYSA-N 438.494 5.001 30 20 IKED Cc1cc(F)cc([C@@]2(F)CCN(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)c1 502930087 HVYSTWSMPKFWGU-GAJHUEQPSA-N 429.536 5.038 30 20 IKED COc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1F 508244592 ABPUTRIBUHLFPD-OAHLLOKOSA-N 435.455 5.390 30 20 IKED CCN(C[C@H](C)C#N)C(=O)Cc1sc(Nc2ccccc2OC)nc1-c1ccccc1 509975846 ZLFHJYMYBCNSBH-QGZVFWFLSA-N 434.565 5.113 30 20 IKED Cc1c(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nnn1-c1ccccc1 512198083 SDMJJCQMIMHPOM-JOCHJYFZSA-N 441.922 5.066 30 20 IKED COc1ccc(-n2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)n2)cc1 512198645 UDFNDNXSQVXUBZ-JOCHJYFZSA-N 442.906 5.442 30 20 IKED N#C[C@@H](C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cn1 513205095 ABGXXODQPADVDZ-GOSISDBHSA-N 434.339 6.276 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1nc2ccccc2s1 513656124 XZDMWPMLJNVRFX-MRXNPFEDSA-N 444.903 5.885 30 20 IKED Cn1c([C@H](C#N)C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)nc2ccccc21 513665784 HZWVEBUJXDHAOZ-HXUWFJFHSA-N 437.528 5.003 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2ccc(OC)cc2OC)nnc1-c1ccc(Cl)cc1 514187511 SDYYKUVDCZZNEQ-CQSZACIVSA-N 443.956 5.165 30 20 IKED COc1cccc([C@@H](CNc2ncc(C#N)cc2Cl)c2c[nH]c3ccccc23)c1OC 515066308 PCBIKEGNBMOFDQ-LJQANCHMSA-N 432.911 5.349 30 20 IKED Cc1cccn2c(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)c(-c3ccccc3)nc12 517653102 JCMSHOFGAQFKKN-UHFFFAOYSA-N 445.482 5.621 30 20 IKED Cc1ccc(-c2nc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)sc2C)s1 521077936 BLJRUMBDHFYIGA-UHFFFAOYSA-N 432.530 5.800 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N(Cc3cscn3)c3ccccc3)c2)c1 522303006 GIONUQMOSRDGQA-UHFFFAOYSA-N 425.513 5.441 30 20 IKED C[C@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524439068 FFSDOEYWIPZKAD-MRXNPFEDSA-N 435.911 5.249 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)c2cc(-c3ccccn3)ccc2Cl)CC1 535097035 RBKKXBQISMPKRR-UHFFFAOYSA-N 431.923 5.394 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CS3)cc1Cl 535589819 VFKXQAARYJQGJI-UHFFFAOYSA-N 435.892 5.300 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 537626518 VSNNQBBTXVSBQY-RRPNLBNLSA-N 433.559 5.265 30 20 IKED N#CCCn1cc(CNc2cc(Cl)ccc2OCC(F)(F)F)c(-c2ccccc2)n1 539925049 WSZXUPFVDVEFBZ-UHFFFAOYSA-N 434.849 5.670 30 20 IKED C[C@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(-c2cccc(C#N)c2)cc1 541076922 HYJCNCMGBMZLSO-DLBZAZTESA-N 440.572 5.325 30 20 IKED CC(C)c1c(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cnn1-c1ccccn1 542003392 OWKHKVFDQHODTP-IBGZPJMESA-N 435.531 5.420 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(OCCC(C)C)CC1 549598224 MGNBTQBZFDDIMJ-LJQANCHMSA-N 430.568 5.165 30 20 IKED C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(c2ncccc2Cl)CC1 549670764 YUQDOVLVUILLIV-UHFFFAOYSA-N 425.939 5.017 30 20 IKED CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 550419572 JMMFJJSPHGTMJE-UHFFFAOYSA-N 442.441 5.112 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H](C)[C@@H]1OCCc2sccc21 550961635 CSKMIYIARKAOED-XDHUDOTRSA-N 434.536 5.551 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CSCC(=O)c1ccccc1 553009104 AJOUFAPGKIQUCL-UHFFFAOYSA-N 438.496 5.266 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 554137746 DOCOZUAEPCYLSK-UHFFFAOYSA-N 434.496 5.026 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1 554159705 DKDVASLEQQLDTJ-UHFFFAOYSA-N 435.528 5.228 30 20 IKED CC[C@@H](c1ccccc1OC)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 554407723 UHKDVAVXHBVMMZ-QHCPKHFHSA-N 442.519 5.434 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)CC1 554602163 MKEPKJHUTXZXCS-HSZRJFAPSA-N 444.966 5.286 30 20 IKED COCCSc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 554997130 QMZHBZRYNJRQQD-KRWDZBQOSA-N 448.548 5.367 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1 555245587 LJLCOKBHPYMDGM-UHFFFAOYSA-N 436.943 5.008 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCC1(c2ccc(F)cc2)CCOCC1 561406904 ALGUAZLXPAYPBU-QGZVFWFLSA-N 427.545 5.090 30 20 IKED C[C@H](Oc1ccccc1NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 573387916 LWSUGSYATZAYKB-FQEVSTJZSA-N 426.520 5.311 30 20 IKED CSCC[C@@](C)(C#N)NC(=O)CSc1ccc2c3c(cccc13)C(=O)c1ccccc1-2 583107814 IPSRMHMPRIKGST-VWLOTQADSA-N 446.597 5.295 30 20 IKED N#Cc1c(SCc2nnc(-c3ccccc3Cl)o2)nc2c(c1-c1ccco1)CCC2 603818364 DJKYCBKZYMACOV-UHFFFAOYSA-N 434.908 5.698 30 20 IKED CSc1cc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)ccc1NC(C)=O 603992770 YMAAPWLJTDFLAP-UHFFFAOYSA-N 433.558 5.318 30 20 IKED CCC(CC)n1c(COc2ccccc2Cl)nnc1S[C@@H](C#N)Cc1ccccc1 604018278 ZFHZNRUBAGFKRO-LJQANCHMSA-N 441.000 6.099 30 20 IKED C[C@@H](Nc1cccc(COCCOc2ccccc2)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 604046190 QXPRIAMFJCWBKX-GOSISDBHSA-N 449.938 5.246 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)cc1 604338059 QDHZQSCZGOFCFY-UHFFFAOYSA-N 445.482 5.099 30 20 IKED C=CCCCCCN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 606884361 XXEZZKLYDANFGY-UHFFFAOYSA-N 426.991 5.021 30 20 IKED C=CCn1c(SCc2cc(C(=O)OC)co2)nc2scc(-c3cccs3)c2c1=O 608800885 JDPGJJNCLKIFDJ-UHFFFAOYSA-N 444.559 5.044 30 20 IKED COc1ccccc1-c1csc(NC(=O)c2occc2COc2cccc(C#N)c2)n1 608804382 ZIEANGXWLWSTDU-UHFFFAOYSA-N 431.473 5.115 30 20 IKED C[C@H](Nc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1)c1ccccc1 608839183 RPXJWJMKBMOYFJ-IBGZPJMESA-N 437.499 6.156 30 20 IKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 609071673 PJNRBMSEVYIPBQ-UHFFFAOYSA-N 439.515 5.540 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)Cc1coc(-c2ccccc2)n1 609151828 OLSGVTDBGRAODW-UHFFFAOYSA-N 427.891 5.643 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)[C@H](c3ccccc3)N3CCSCC3)c2)cc1 609176593 SAXKAQRLTAPAMM-DEOSSOPVSA-N 429.545 5.079 30 20 IKED N#Cc1ccccc1OCC(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1 609428210 HMELCORBHKQBAC-UHFFFAOYSA-N 440.503 5.099 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3csc(-c4ccccc4)n3)cn2)c1 609682594 SNFIHMLHQQECEQ-UHFFFAOYSA-N 427.489 5.191 30 20 IKED COc1ccc(-c2csc(NC(=O)CSc3ccc(Cl)cc3C#N)n2)c(OC)c1 610655252 WTCZOFSEKRJPHC-UHFFFAOYSA-N 445.953 5.083 30 20 IKED N#Cc1cc(CN2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)ccc1F 610719763 IBIAVSGIVCOYLL-VWLOTQADSA-N 434.559 5.386 30 20 IKED CCOC(=O)c1sc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c(C#N)c1C 611184234 RNGXRKKBDOXKSQ-HNNXBMFYSA-N 446.528 5.078 30 20 IKED COc1cncc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c1 676450995 ICWDEFZHVRSRCC-CQSZACIVSA-N 432.286 5.521 30 20 IKED C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]1c1ccc(OC)cc1 685550345 CALDAHKUCKOTEW-FQEVSTJZSA-N 436.581 5.115 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)c(C)c(C)c2C)[n+]2ccccc2CC)c1 726572819 PGSKFOFSHMIXCN-UHFFFAOYSA-O 441.620 6.075 30 20 IKED COc1cc(/C=C\C(=O)O[C@@H](C)c2cccc(C#N)c2)ccc1OCc1c(C)noc1C 727640418 IJAFECLRPNQBKH-CCCPALQASA-N 432.476 5.068 30 20 IKED CC(C)[C@H](OC(=O)c1cc2ccccc2n1CC#N)C(=O)Nc1cc(Cl)ccc1Cl 729766390 GIWHVVKOIUAABC-FQEVSTJZSA-N 444.318 5.292 30 20 IKED N#C[C@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1ccc2ccccc2n1 730685535 JTVWJFXKKRCGLZ-HNNXBMFYSA-N 425.435 5.672 30 20 IKED N#C[C@@H](C(=O)CCc1nc2cc(Cl)ccc2s1)C(=O)Nc1ccc(F)c(Cl)c1 730686860 JWHOGAKCYLZVIU-LBPRGKRZSA-N 436.295 5.022 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cc1c(Cl)cccc1Cl 731062440 KDRMPXYSLVICFD-ZDUSSCGKSA-N 437.348 5.112 30 20 IKED COc1cc(/C=C/C(=O)c2sccc2C)ccc1OCC(=O)Nc1ccccc1Cl 733749530 NNKRNWBJFLTHKN-VQHVLOKHSA-N 441.936 5.632 30 20 IKED CC[C@H](NC(=S)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccs1 734378262 OSTBSFKXLXXDTE-IBGZPJMESA-N 425.554 5.776 30 20 IKED C=CC[C@@H](NC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)c1ccncc1 734455998 QCBCMSJGJKQONV-DNVCBOLYSA-N 427.957 5.445 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\C(=O)c3ccsc3S[C@H]2C)cs1 742435993 CZKSXVGZKNVDAV-PKSBALPTSA-N 430.551 5.789 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 743856242 ZHGULDKTXGBSEI-JYFHCDHNSA-N 427.523 5.332 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)c1ccc(Br)s1 744027903 CKZCXWIFFFUCGF-IUODEOHRSA-N 433.371 5.086 30 20 IKED N#C[C@H]1C(CN(Cc2ccccc2)Cc2ccc(F)cc2)=CC(=O)n2c1nc1ccccc12 746155830 AOICVRIDOQJQOT-QHCPKHFHSA-N 436.490 5.065 30 20 IKED C=CCN(Cc1ccc(C(=O)N2CCCC2)cc1)Cc1cc(Br)ccc1F 749250098 KOZIFIZREZSMGA-UHFFFAOYSA-N 431.349 5.012 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@@H](O)c1cccc(F)c1 752645626 MZIKLQPGWQYYAZ-VSUDMRMVSA-N 437.902 5.378 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CSc1nc2cc(C(F)(F)F)ccc2s1 753851140 IUUGSFCTFLYTFR-UHFFFAOYSA-N 427.860 5.571 30 20 IKED C=CCc1cc(C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2C)cc(OC)c1OC 754220998 HYPCYTYERNNLBL-UHFFFAOYSA-N 426.513 5.340 30 20 IKED CC(C)(C)Oc1cccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)n1 758519114 PTVFIEPWZVZNAS-IBGZPJMESA-N 430.533 5.063 30 20 IKED N#C[C@H](C(=O)CCc1cc(Br)ccc1F)c1nc2ccccc2n1C(F)F 759223724 XHWOYBAUTFLYHN-CYBMUJFWSA-N 436.231 5.142 30 20 IKED Cc1noc(C[C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2ccccc2)n1 759844628 VXHUUVBPZNKZAM-ZEQRLZLVSA-N 437.503 5.139 30 20 IKED CCn1c(-c2ccc(F)cc2)nn(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)c1=S 764992708 HALSPPNYUAOVST-UHFFFAOYSA-N 442.404 5.014 30 20 IKED COc1cccc([C@@H](C#N)NC(=O)c2oc3ccccc3c2COc2ccccc2)c1OC 768153399 WAUBYYLVONYFES-OAQYLSRUSA-N 442.471 5.024 30 20 IKED CC(C)Oc1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1C#N 772149519 BTUJJDLRGLFVRZ-XMMPIXPASA-N 426.472 5.052 30 20 IKED N#C[C@@H](C(=O)CCCCC(=O)c1ccc(F)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 778607492 VMJRQFVARGYJRW-SFHVURJKSA-N 435.282 5.223 30 20 IKED N#CCOc1ccc(CN[C@H](c2ccc(Br)cc2)c2ccccc2F)cc1 779092885 HETQTAUFVGPZCM-JOCHJYFZSA-N 425.301 5.370 30 20 IKED CC1(C#N)CCN(C(=O)c2cc(-c3ccccc3)nc3cc(Br)ccc23)CC1 780779676 SKMOPCZSOVGZER-UHFFFAOYSA-N 434.337 5.430 30 20 IKED CC[C@@H](C#N)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)c(OC)c1)CC2 781152372 FNRBLOXXCHMRAT-FDWYHIAWSA-N 428.488 5.198 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccc(Cl)cc1Cl 787052450 ZAHLKNVYQZIFGJ-LRDDRELGSA-N 447.366 5.022 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1 788353268 ZBQZXGVWZGULDJ-DFBJGRDBSA-N 440.543 5.913 30 20 IKED CCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2cnc(-c3ccc(Cl)cc3)s2)cc1 789143662 PWJRLIURKJEQRN-VAWYXSNFSA-N 432.954 5.121 30 20 IKED CN(CCc1ccccc1)C(=O)c1ccccc1N(C)C(=O)c1ccc(C(C)(C)C#N)cc1 793463798 LBLYGJINCCCIDR-UHFFFAOYSA-N 439.559 5.079 30 20 IKED C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797567923 CPLANZBQUSJXNE-IUODEOHRSA-N 429.998 5.999 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 797569141 AWXPGMQUSBHQAJ-IXDOHACOSA-N 433.618 5.290 30 20 IKED CC(C)C(=O)c1ccc([C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 802052470 AMBVRKYBJVMNGQ-KKSFZXQISA-N 427.529 5.500 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc3nc(C(F)F)sc3c2)ccc1OC 806692863 VIJJNFJJSFSGQM-CQSZACIVSA-N 446.479 5.245 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(-c3ccncc3)cc2)cc(OC)c1OCC(F)F 809153655 AYFKKPLGRBPPKP-FPYGCLRLSA-N 425.431 5.306 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](Cc2ccccc2)c2ccc(OC)cc2)c1 811880121 ISZJVVSHIGQIRY-OZXSUGGESA-N 443.547 5.159 30 20 IKED CC(C)(C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1csc(-c2ccccc2F)n1 815941901 RCISDCFJRLGCSZ-AWEZNQCLSA-N 439.512 5.852 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)Cc1c[nH]c2cccc(Cl)c12)c1ccc(Cl)cc1Cl 816038690 DLCRNPONFPIZEW-NHYWBVRUSA-N 448.737 5.257 30 20 IKED Cn1c2ccccc2c2cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)sc21 875063794 NALHVFYDSHJJEV-UHFFFAOYSA-N 428.542 5.564 30 20 IKED N#Cc1ccsc1NC(=O)COC(=O)/C=C\c1ccc(-c2ccccc2Cl)s1 900047619 QKIQBNYQRSIBDX-VURMDHGXSA-N 428.922 5.197 30 20 IKED COC(=O)c1sc2ncc(C(=O)/C=C\c3csc(-c4ccc(F)cc4)n3)cc2c1C 914773708 SIRYJCDLUCDLPT-FPLPWBNLSA-N 438.505 5.550 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)cc1 915352438 IKBWHFZHJQNMCA-RUZDIDTESA-N 439.515 5.174 30 20 IKED COc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3ccc(Cl)cc3)o2)c(OC)c1 917030524 XIYJUXBGVWLTBA-UHFFFAOYSA-N 440.912 5.047 30 20 IKED Cc1cc(Cl)ccc1O[C@H](C)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917045171 WKUVOYDXCLUWLL-BXUZGUMPSA-N 438.858 5.921 30 20 IKED COC(=O)c1sc2ncc(C(=O)/C=C/c3cccc(OCC(F)(F)F)c3)cc2c1C 918156091 KWGRDVQYSGSLRD-VOTSOKGWSA-N 435.423 5.229 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CSC(=S)N1CCC(C)CC1 920016520 CYLSXJKMJRBSBR-UHFFFAOYSA-N 439.606 5.348 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(COc2ccc(Cl)cc2)cc1 920106532 REABINFAPDLJPX-JOCHJYFZSA-N 442.902 5.914 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@H]4C4CC4)cc3)CCC2)c(Cl)c1 1786053827 BNDBEHFDMXALPY-LEWJYISDSA-N 433.939 5.005 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c[nH]nc4c3)CCC2)cc1 1786103531 KWGFYUVVHBWOAB-UHFFFAOYSA-N 428.536 5.079 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4cccc(F)c34)cc2)CCC1 1790969149 CFNHJLRUYGDEFW-IBGZPJMESA-N 446.526 5.218 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc(-c4cnco4)c3)CCC2)cc1 1791730627 OBEMUWHIEYPMGX-UHFFFAOYSA-N 441.531 5.283 30 20 IKED Cc1cc(Cl)cc(C(=O)Nc2ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc2)c1 1792113217 SJJXDUPRPLYDQG-JFLMPSFJSA-N 449.938 5.108 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@H]4C4CC4)CCC3)cc2)c1 1792123191 MTLKAWHYWDFMNR-GAZXMLTASA-N 427.548 5.107 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(N(C)C)c4ccccc34)CCC2)cc1 1792263948 LVXKCIFWVGOWFN-UHFFFAOYSA-N 439.559 5.067 30 20 IKED C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@@H](C)C#N)c1)c1ccc(Cl)cc1 1803675806 KGVIAPHBYUKSPU-OCENLMORSA-N 449.982 5.023 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3nc(C)ccc3o2)CC1 1824141211 KVRRHZWIYWLDMN-QHCPKHFHSA-N 449.595 5.138 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3ccoc3c2)CC1 1827499034 GNEZQJBPMNHAID-QFIPXVFZSA-N 437.584 5.054 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 1831789594 XUOOYCVKXZFHQI-XPGKHFPBSA-N 434.624 5.178 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1[nH]c2ccoc2c1-c1ccccc1 1847532157 IJBJYZYHDZCHKU-VXKWHMMOSA-N 443.547 5.012 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(O)c2)cc1 10173956 BYTNHRKICKPXGC-UHFFFAOYSA-O 435.569 5.253 30 20 IKED Cc1ccc(/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccc(Oc4ccccc4)cc3)S2)cc1F 16939156 KXKCNNHJJQLALI-OAQYLSRUSA-N 449.507 5.174 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3cccc(C)c3)o2)nc2cc(Cl)ccc2c1=O 17674057 IQQIVHMLCZULLQ-CQSZACIVSA-N 438.940 5.448 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N 17955939 ISIDTFZLYHHCFI-UHFFFAOYSA-N 446.315 5.093 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccccc2OCC(F)(F)F)cc1 32157682 BHCLTUGXTKIWJT-UHFFFAOYSA-N 426.394 5.331 30 20 IKED COc1ccc(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1C 32587744 NGMQTKFMMIVLDM-FQEVSTJZSA-N 426.925 5.113 30 20 IKED CCCC1CCC(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)CC1 64312195 SNPKRMYBASTXSI-UHFFFAOYSA-N 435.593 5.378 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)s2)cc1 105400917 KMANJVOOWNPOCK-HZPDHXFCSA-N 426.954 5.098 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2C)nnc1-c1ccccc1F 216104387 INGQNCKHYNAALO-AWEZNQCLSA-N 430.936 5.351 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)c1ccc(F)cc1 255931381 ZGEXNDUIGUVKOG-CQSZACIVSA-N 431.920 5.199 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(CN2CCc3ccccc32)CC1 303522676 ZKRFUSZIAXWKII-LJQANCHMSA-N 434.609 5.245 30 20 IKED CCN(CC)C(=O)c1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)cc1Cl 428166868 TWBCSVLQVVJZTO-UHFFFAOYSA-N 425.941 5.469 30 20 IKED N#CCSc1cccc(C(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)c1 429941566 KJMHCAGIXOQDKU-VMPITWQZSA-N 442.540 5.434 30 20 IKED COc1cc(Br)ccc1[C@@H](C)NC(=O)N[C@H](CCCC#N)c1ccccc1 431910635 CERVANBYEJKFJC-DNVCBOLYSA-N 430.346 5.253 30 20 IKED CC(C)(CNCc1cn(CCC#N)nc1-c1ccncc1)c1ccc(Cl)c(Cl)c1 433328287 VXKIFXOPKWKESW-UHFFFAOYSA-N 428.367 5.233 30 20 IKED CN(C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2)c1ncccc1F 434316755 SYSIKXOHOODRNO-DSNUTCFNSA-N 438.387 5.306 30 20 IKED Cc1ccc(C)c(-n2ncc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c2C)c1 435039650 HZYBUJVCVWILDG-UHFFFAOYSA-N 437.503 5.417 30 20 IKED CC1(C)CCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2O)[C@H]1C#N 436911094 SITMSKIQVRMHAT-IBGZPJMESA-N 446.334 5.106 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H](CN2CCCC[C@@H]2C)C1 437846629 YBZALRALXTZURZ-JTHBVZDNSA-N 446.595 5.777 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 438064838 VJDAXEKGLPMVKK-IRXDYDNUSA-N 428.989 5.382 30 20 IKED COc1ccccc1-c1ccc([C@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 438081233 RONNACQSACALMG-OALUTQOASA-N 445.588 6.497 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(CSc2ccccn2)c1 438138767 WMNNRFOXHAOSGP-GOTSBHOMSA-N 428.561 5.678 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2cccc(Cn3ccnc3)c2)cc1F 438649426 MNHIPTRRUBNOMG-UHFFFAOYSA-N 441.466 5.056 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 439539704 DRUKILIGNXSYEY-KBPBESRZSA-N 438.330 5.127 30 20 IKED C[C@@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)Nc1cccc2ncccc12 439645933 KCPNJQCGPLISEC-MRXNPFEDSA-N 426.451 5.477 30 20 IKED CCCc1c(NC(=O)c2ncoc2-c2ccccc2Cl)cnn1-c1cccc(C#N)c1 440081319 SGVFLOSPFLLTFG-UHFFFAOYSA-N 431.883 5.257 30 20 IKED C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1 440276215 ZSTKHFZGUKJDBY-OAHLLOKOSA-N 441.890 5.229 30 20 IKED C[C@@H]1CCN(CC(=O)Nc2ccccc2SCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 441272219 TWNCHBFRQARJPO-VFNWGFHPSA-N 433.499 5.343 30 20 IKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(Cl)cc1 442120536 PFTJIXCJYVBHJA-SFHVURJKSA-N 437.849 5.073 30 20 IKED COc1ccccc1[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1cccs1 461486152 HQHPHEKZNFSNLA-JOCHJYFZSA-N 441.560 5.277 30 20 IKED CCN(C(=O)c1ccc(COc2cccc(Br)c2)o1)c1ccc(C#N)cc1 461548896 ZNFBLYHJUQJOHC-UHFFFAOYSA-N 425.282 5.159 30 20 IKED N#C[C@@H](C(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1cc(C(F)(F)F)ccn1 464409295 UPOCIRGVLBZPLS-HXUWFJFHSA-N 436.389 5.916 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1cc(C(F)(F)F)ccn1 464474191 JZEKJMXACSKVGD-CYBMUJFWSA-N 425.197 5.083 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3ccccc3C)no2)nc2sc(C)c(C)c2c1=O 466619875 RSCCAZNJKIDZEZ-OAHLLOKOSA-N 438.578 5.473 30 20 IKED Cc1nc(-c2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cc2)n[nH]1 468409967 AZTUCEMDILKIJB-NRFANRHFSA-N 427.895 5.341 30 20 IKED N#CCCCN1C(=O)CCc2cc(NCc3cccc(OCc4ccc(F)cc4)c3)ccc21 468790904 BWNCZOMEWCIQCR-UHFFFAOYSA-N 443.522 5.600 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)CCSc3ccccc3Cl)ccc21 469975449 WNLHLSBEXLGTOJ-UHFFFAOYSA-N 427.957 5.044 30 20 IKED N#CCCn1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)(F)F)n1 470419966 UKYDLCCDCDYFOW-UHFFFAOYSA-N 437.369 5.114 30 20 IKED COCCOc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c(Cl)c1 471724656 IQIOQBXJBCFZLR-UHFFFAOYSA-N 436.895 5.068 30 20 IKED COc1cc(CNC(C)(C)c2nc3ccccc3n2C)ccc1OCc1cccc(C#N)c1 473175507 HYIZMOQHZVZPHU-UHFFFAOYSA-N 440.547 5.057 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 474271180 NQXJPEJTLYDVCY-MLGOLLRUSA-N 430.348 5.154 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(Nc2cccc(C(=O)OC)c2)CC1 475545753 BPKFNPVEFYAUCQ-UHFFFAOYSA-N 435.568 5.434 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 476120200 URCQQKWZSZYDCZ-UHFFFAOYSA-N 427.957 5.973 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(F)c(F)cc1I 476158456 QYALGJWDCSBMKZ-UHFFFAOYSA-N 441.259 5.674 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1cccc2ccccc12 477564455 VXAKXNRWZMTELS-MUUNZHRXSA-N 449.554 5.659 30 20 IKED COCc1ccc([C@H]2CCCN2c2c(C#N)cnc3c(Br)c(C)ccc23)o1 480112650 DZYVDNRVIBKNAX-QGZVFWFLSA-N 426.314 5.258 30 20 IKED C=C(C)[C@@H](NC(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C)c1ccc(F)c(F)c1 480388041 ORRBIAZNPYDGNU-HSZRJFAPSA-N 435.474 5.964 30 20 IKED C=C(C)Cn1c(SCc2nc(-c3ccc(C(C)C)cc3)no2)nnc1-c1ccncc1 481366853 GLPYPYKIQZAQPZ-UHFFFAOYSA-N 432.553 5.382 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)C(C)(C)Oc3ccc(C#N)cc3)s2)cc1 482184734 RXVIFKYXMZTXEJ-MRXNPFEDSA-N 435.549 5.034 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1nccc2ccccc12 483217786 XYOVNPUUDZPHLM-HXUWFJFHSA-N 433.389 5.931 30 20 IKED C=CCSc1ccccc1C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 486404168 HKAFXNHBRHDBBX-ZDUSSCGKSA-N 444.354 5.268 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1cccc(-c2ccc(Br)cc2)c1 486472355 BVUWFAPJUXDBHR-UHFFFAOYSA-N 435.325 5.459 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2cccc(Cl)c2)o1 488500532 PMTYJHKOQZVWSD-CYBMUJFWSA-N 444.969 5.515 30 20 IKED COc1ccc(COCc2cccc(NCc3cc(C#N)ccc3Br)c2)cc1 492681969 ZGHCJUDJVMOSHY-UHFFFAOYSA-N 437.337 5.658 30 20 IKED CN(C(=O)c1ccc(NCc2ccc(-c3ccccc3C#N)cc2)cc1)C1CCOCC1 495085863 PJJVHAKMNRFTSW-UHFFFAOYSA-N 425.532 5.088 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@H](c1ccccc1)C(C)C 497768695 LVMQQAOOPPVYAG-SANMLTNESA-N 427.548 6.307 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)cc1C 497869732 YMDQIXQTXFFBJX-QGZVFWFLSA-N 440.469 5.590 30 20 IKED N#C[C@@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(Cl)c(Cl)c1 505970002 FMABZWQHHHCVCE-MRXNPFEDSA-N 435.698 5.010 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1 507934855 HPDOYTRRKPWRMZ-UHFFFAOYSA-N 440.286 5.026 30 20 IKED CN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 509651499 TVCQEWHBWPHUIL-UHFFFAOYSA-N 430.455 5.288 30 20 IKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 510267131 LAAJGCFVAVSALZ-KRWDZBQOSA-N 445.544 5.737 30 20 IKED N#Cc1ccc(CN(C(=O)N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)C2CC2)cc1 510332956 MMAYFGUWOJBNOM-OAQYLSRUSA-N 429.442 5.282 30 20 IKED C=CCN1C(=O)c2ccccc2N[C@@H]1c1csc(N(C(C)=O)c2ccc(Cl)cc2)n1 510691949 XJSWDQKLUYYLEB-FQEVSTJZSA-N 438.940 5.234 30 20 IKED CCCN(CC#N)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 510763000 LFGXZGIPFSRERY-UHFFFAOYSA-N 443.938 5.176 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1(c2cccc(F)c2)CCOCC1 512845237 RZIPSCGAGZIZPE-UHFFFAOYSA-N 430.479 5.485 30 20 IKED Cc1cccn2cc(COc3ccccc3C(=O)[C@@H](C#N)c3nc4ccccc4s3)nc12 513696078 RTUMIQQZSWLJHS-LJQANCHMSA-N 438.512 5.322 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4cccc(Cl)c4)c3C)n2)cc1 516270464 ZSQFWADSJXMRCU-IBGZPJMESA-N 448.935 5.456 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(OCC(F)(F)F)nc1 517461089 OTLWVVVTYAVEAJ-UHFFFAOYSA-N 449.376 5.300 30 20 IKED CC(C)CN(C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccc(C#N)cc1 519886705 QZYHEPGZUJWBCR-UHFFFAOYSA-N 437.952 5.828 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(SC)c(OC)c1 521345679 OWGBKUOSCIYTPP-UHFFFAOYSA-N 448.013 5.719 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 522072431 MSHGTYQPAWRXQL-SJORKVTESA-N 444.551 5.003 30 20 IKED CC[C@@H](C)n1ncc2c(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc(C)nc21 523959589 YAIFUIKXYQDTQV-RDTXWAMCSA-N 449.967 5.978 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1)C(C)C 524207960 TXDRNUSLLRBBPR-UHFFFAOYSA-N 447.564 5.006 30 20 IKED CC[C@H](C(=O)OC)N(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccccc1 524229248 PKNCWOCDANCHHY-JOCHJYFZSA-N 432.451 5.088 30 20 IKED C=C[C@H](CC(=O)N(C[C@@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F)c1ccccc1 533955897 XKRGFIJDKQKZLW-FGZHOGPDSA-N 430.514 5.259 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 538626151 MWLGEXMOICBICQ-UHFFFAOYSA-N 425.492 5.452 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2cc(F)c(F)c(F)c2)cc1 539719089 ILIAJJDVQSLCSH-UHFFFAOYSA-N 441.409 5.440 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1cccc(F)c1)C1CCCC1 540430738 RETDZJSDIOOQMX-BXKMTCNYSA-N 425.573 5.537 30 20 IKED Cc1ccc([C@@H](Nc2ncc(Cl)c(C)c2C#N)c2cccc(S(C)(=O)=O)c2)c(C)c1 542209817 QWOHEZAWUBIDSB-QFIPXVFZSA-N 439.968 5.137 30 20 IKED C[C@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1nccs1 543608297 DSHSXIXVRDRYBF-CQSZACIVSA-N 426.929 5.172 30 20 IKED COc1ccc(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1Cl 545475571 YSEAUQCKTKFHGC-UHFFFAOYSA-N 442.846 5.195 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC(F)(c3cccnc3)CC2)c1 551664560 XLCDTNVDARYMLA-UHFFFAOYSA-N 435.886 5.500 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3ccccc3Oc3ccccc3C#N)CC2)c(F)c1 553205307 AFJHLCDQXKUSOW-UHFFFAOYSA-N 441.462 5.045 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 557524188 JDLYUISHEKOZLI-UHFFFAOYSA-N 445.875 5.037 30 20 IKED CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1 558558541 ZYTXJTRWEFZMPG-UHFFFAOYSA-N 442.519 5.260 30 20 IKED CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)CC[C@@H]1C(F)(F)F 559161226 QKYZWZQCGWPAOQ-SFHVURJKSA-N 445.514 5.341 30 20 IKED Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 561711463 GUNKKCLLCPWPPO-IRXDYDNUSA-N 435.543 5.040 30 20 IKED COc1cccc([C@@H](NC2CCN(c3ccc(C#N)cc3)CC2)c2cc(F)ccc2OC)c1 563642467 VXROSCNTFDZBOQ-HHHXNRCGSA-N 445.538 5.063 30 20 IKED Cc1c(NC(=O)c2ccc(F)cc2C(F)(F)F)nnn1Cc1ccc(C(F)(F)F)cc1 566410690 LRRKHQAYDCXDML-UHFFFAOYSA-N 446.326 5.064 30 20 IKED N#Cc1ccc(N2CCC(c3nc(Cc4csc(-c5ccccc5)n4)no3)CC2)c(F)c1 574314751 ABCUHFQAISINRO-UHFFFAOYSA-N 445.523 5.179 30 20 IKED CCO[C@@H](c1noc(CSc2ccc(C#N)cc2)n1)c1ccc(F)cc1C(F)(F)F 576788351 DLJRMYIGIAWOPR-GOSISDBHSA-N 437.418 5.517 30 20 IKED N#Cc1c(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)sc2c1CCCCC2 590613452 SJRWSMDAUQUGMW-UHFFFAOYSA-N 427.476 5.393 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OC 603595564 SXLKUHQUFVVHMD-GOSISDBHSA-N 446.572 5.749 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1 603733536 WKXOBEWKJFCUCC-HHHXNRCGSA-N 440.499 5.378 30 20 IKED N#Cc1ccnc(SC[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 603839680 XYNPOXGXLHWFEK-HXUWFJFHSA-N 445.371 5.519 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1 603990453 DRUMFSVMIAVLIR-UHFFFAOYSA-N 439.515 5.016 30 20 IKED CCc1cc(C#N)c(NC(=O)c2cc(-c3ccc(OC)cc3)n(-c3ccccc3)n2)s1 604029029 FGJVNGLQCSSBCL-UHFFFAOYSA-N 428.517 5.296 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604500087 XLRIUNYUBAIMHM-UHFFFAOYSA-N 425.492 5.307 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 606575157 CYLSUBAXANBEHS-FUHWJXTLSA-N 425.529 5.204 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)cc1Cl 608840725 AYWBUFSZMSSASW-VJTSUQJLSA-N 445.950 6.037 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 608918342 IHYZCGVHGDNBPD-FQEVSTJZSA-N 428.536 5.213 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 609437068 OACMWVDXUDBDMY-IFXJQAMLSA-N 433.936 5.479 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC[C@H](c3ccco3)N3CCCCC3)cc2)cc1 609496874 MYBLLELRSCBNCV-XMMPIXPASA-N 429.520 5.095 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCCCOc1cccc(C#N)c1 609499024 JOKUVUMPKDBFJM-UHFFFAOYSA-N 441.506 5.660 30 20 IKED Cc1cccc(OC(F)F)c1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 609724349 LSFQMBLIASIXJF-UHFFFAOYSA-N 428.822 6.166 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCS[C@@H](c3ccccc3)C2)cc1 609807759 NGBPKOJMZBSXKF-XMMPIXPASA-N 445.544 5.681 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCS[C@H](c4ccccc4)C3)cc2F)c1 609807777 ONJAZOAVYQNHDW-DEOSSOPVSA-N 447.535 5.598 30 20 IKED CCOC(=O)Cc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 609998067 DWBXOYVTBTYPND-UHFFFAOYSA-N 430.529 5.208 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(N2CCc3sccc3C2)nc1 610628833 LAXHXGQRESLXQG-FCHUYYIVSA-N 443.576 5.009 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@@H](Cc4ccncc4)C3)cc2Cl)c1 611818159 BVPCGIZIOVEDKC-FQEVSTJZSA-N 446.938 5.282 30 20 IKED C[C@@]1(C#N)CCCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@@H]2CCCO2)C1 619852853 HSFMHOQDRYYFSB-NYHFZMIOSA-N 441.988 5.122 30 20 IKED C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 642282086 KEGVBKFJXBTHCA-HFBAOOFYSA-N 443.450 5.400 30 20 IKED C=CCN(C(=O)C[C@H]1CCCC(=O)N1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 673432554 SPWBDPXBQWNPFI-OAQYLSRUSA-N 431.561 5.055 30 20 IKED CC[C@H](C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 674492501 CZCGZRNYYJYLLN-MCIONIFRSA-N 435.330 5.788 30 20 IKED COc1cc([C@H](C)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OC(F)F 675739034 UMALQRGZKIENGT-FTYKPCCVSA-N 435.355 5.857 30 20 IKED CN(C(=O)c1ccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1)c1ccccc1 677467739 FQONDFGNOGJWLM-IBGZPJMESA-N 429.476 5.202 30 20 IKED O=C(NC1CCC(c2ccc(F)cc2)CC1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 679791410 MJTIMRQVZQDZAX-AHNOJICISA-N 426.376 5.234 30 20 IKED O=C(CCCc1cccc(C(F)(F)F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 681130408 XLJQZISNIICQMG-FICVDOATSA-N 449.357 6.054 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)C[C@H](c3ccccc3)C(F)(F)F)n2)cc1 728770934 ZPDHTHXLBZFARR-QZTJIDSGSA-N 425.435 5.594 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cccc(C3SCCS3)c2)cc1 730161537 ISOJMRMDNMMHPD-UHFFFAOYSA-N 436.533 6.221 30 20 IKED N#C[C@@H](C(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1)c1nc2cc(F)ccc2s1 730417570 OSXZRLCIKMDKSG-AVRDEDQJSA-N 436.508 6.284 30 20 IKED Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 732377746 UBHKYNPTHPYWFF-IBGZPJMESA-N 428.488 5.346 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)ccc1F 733258417 AUOZLJOIMAUEHE-MRXNPFEDSA-N 438.286 5.474 30 20 IKED Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 733259530 YMLZBHPSCURCIF-LJQANCHMSA-N 443.286 5.281 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](c2ccccc2)C2CCCCC2)ccc1OC 733642121 BXIJYTYDJIFVDW-DHLKQENFSA-N 435.568 5.497 30 20 IKED Cc1ccc([C@H]2CCC[C@H]2OC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 734089736 VWWWFXGDOONYOB-IFMALSPDSA-N 445.519 5.211 30 20 IKED CCc1nc(COc2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2)no1 734317870 CYFFHZRKVTYMST-HSZRJFAPSA-N 438.487 5.119 30 20 IKED COc1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1NC(=O)C1CCCCC1 734778748 ADDPNBNJEYWAIU-UHFFFAOYSA-N 446.507 5.030 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)c(C)c2c1 739594052 CMPSKJXWCWNRPM-UHFFFAOYSA-N 442.540 5.793 30 20 IKED COc1cc(C(=O)/C=C/c2cnc3ccc(Br)cn23)ccc1SC(F)F 740765154 RAAFZOAOCLCPDD-SNAWJCMRSA-N 439.281 5.316 30 20 IKED O=C(/C=C\c1ccc(Oc2cnccn2)cc1)c1ccc(OC(F)F)cc1OC(F)F 743059448 XWTHBJVFRUQNSQ-BAQGIRSFSA-N 434.345 5.368 30 20 IKED C[C@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 743491393 LRCWSVAZOYMDGQ-QQMNAOGKSA-N 446.938 5.222 30 20 IKED C[C@H](OC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nc(Cc2ccccc2)no1 745041315 SJCAXNKYVHFOGQ-SFHVURJKSA-N 439.471 5.029 30 20 IKED C=CC[C@H](NC(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccncc1 745827550 LNOGJJLXBJRGHW-SFHVURJKSA-N 432.471 5.341 30 20 IKED COc1ccc(CC2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)cc1 750300420 BAZZIHPDHZSCRL-HHHXNRCGSA-N 439.559 5.837 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCCCC[C@@H]3C[C@H](O)c3ccccc3)cc2)nc1 752115014 XHDCNUPUFDUVJT-NOZRDPDXSA-N 441.531 5.254 30 20 IKED COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3ncc(Br)s3)c2)cc1 756847350 QDUORMYMQAPBGV-BJMVGYQFSA-N 443.322 5.063 30 20 IKED N#Cc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)ccc1N1CCC(O)CC1 762241080 CEPXYSMSSGXNIV-UHFFFAOYSA-N 437.971 5.013 30 20 IKED Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)c1cc(Br)ncc1F 762427002 RURSHHYQKPSIKV-VOTSOKGWSA-N 438.659 5.166 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 763350226 ZOGWQASUEAFXFL-WOJBJXKFSA-N 443.588 5.005 30 20 IKED CN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 763578372 NEGZQDVNVOJTFK-AWEZNQCLSA-N 442.262 5.267 30 20 IKED CCCC[C@@H](ON=C(C)C)C(=O)O[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 767753197 ZPPUFPKHLVUDOO-BLLLJJGKSA-N 428.316 5.619 30 20 IKED CC(C)(C#N)c1ccccc1COC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 767975889 KSBHCUWNIWMZAY-UHFFFAOYSA-N 427.913 5.027 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)nnc1-c1ccc(C)cc1 768404687 ZVOAJNXAHHGIPT-LJQANCHMSA-N 447.608 5.159 30 20 IKED Cc1ccc(Cc2nc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cs2)cc1 768781147 MNQLLQRVROEZQS-HXUWFJFHSA-N 425.513 5.157 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 768969659 LTEFACGJEDUTSR-XMMPIXPASA-N 426.476 5.447 30 20 IKED N#C[C@@H](COC(=O)Cc1csc(-c2cccs2)n1)Cc1cccc(Br)c1 774398526 YASRLNHXHYACPL-AWEZNQCLSA-N 447.379 5.102 30 20 IKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)n1ccc(=NCC(F)(F)F)cc1 775493981 PCUKRBNKXYHXCP-UPHRSURJSA-N 442.281 5.342 30 20 IKED CC(C)n1ncc2c(C(=O)OC[C@H](C#N)Cc3cccs3)cc(-c3cccs3)nc21 777340293 SQGKEABRZVMWBK-HNNXBMFYSA-N 436.562 5.341 30 20 IKED C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)[C@@H](C#N)c1nc2ccccc2s1 780301196 HISOKLZHPJOHPN-GSEOLPGOSA-N 443.572 5.257 30 20 IKED COc1cccc([C@H](OC(=O)c2ccc(COc3ccccc3C#N)o2)c2ccncc2)c1 782455954 HPGMSWSCOUKWOF-RUZDIDTESA-N 440.455 5.080 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2cccc(CC(F)(F)F)c2)cc1 784993160 PBZSVOJUEDWPNQ-OAQYLSRUSA-N 437.421 5.024 30 20 IKED C[C@@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(F)cc2OCC#N)cc1 785220633 CJTZBNWQKOBQIO-MRXNPFEDSA-N 449.507 5.159 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3ccccc3n2CC(F)(F)F)cc1 786311938 NYWPEHXLEMYXHS-IBGZPJMESA-N 441.453 5.507 30 20 IKED CCC(CC)n1nc(C)cc1C(=O)[C@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 787050505 KZDUZGLDYXYIEJ-DYVFJYSZSA-N 435.355 5.059 30 20 IKED CC(C)N1CC[C@@H](NC(=O)Nc2ccccc2O[C@H](C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 788297095 PYEAZIMQWCPXGX-QPJICYPMSA-N 444.938 5.115 30 20 IKED N#CCCn1cc(/C=C2/Oc3cc(OCc4ccccc4)ccc3C2=O)c(-c2ccncc2)n1 788354832 NNJOGMWEWHXDSF-MFKUBSTISA-N 448.482 5.054 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)cc1 798047573 NZEYPXWJPPYLLD-GMQQYTKMSA-N 445.522 5.106 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(CC)nc2onc(CC(C)(C)C)c12 799924816 WZVMFVSYECYJBI-UHFFFAOYSA-N 441.535 5.123 30 20 IKED C#Cc1cccc(NC(=S)N(C)Cc2cccc(OC)c2OCc2ccccc2F)c1 800827395 DIZXMWRLYDDNHG-UHFFFAOYSA-N 434.536 5.223 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)cc1 806449765 BBCIOVJZWIATAR-HXUWFJFHSA-N 448.404 5.663 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(C4SCCCS4)cc3)s2)cc1 875068833 HWBBPESTYHBTTO-UHFFFAOYSA-N 437.615 5.727 30 20 IKED N#CC[C@@H](Cc1nc(-c2cc(Br)cc(Br)c2)no1)c1ccccc1 904915615 NBWRTHAAKXOFGA-ZDUSSCGKSA-N 447.130 5.502 30 20 IKED Cc1ccc(NC(=O)[C@@H](Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2ccccc2)cc1 915224319 NONGHTRZVFILTQ-NSOVKSMOSA-N 431.539 6.442 30 20 IKED C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917047528 ZJCCYJSMULVCKT-ABAIWWIYSA-N 447.944 5.025 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1F 918052418 JJJPMSHUIWTDTC-UHFFFAOYSA-N 439.874 5.816 30 20 IKED CCN(Cc1cccc(NC(=O)CSCc2ccc(C#N)cc2)c1)C(=O)OC(C)(C)C 918104398 NPPMEAVNZXKEKG-UHFFFAOYSA-N 439.581 5.187 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)CSc2cccc3cccc(Cl)c23)n1 920326385 DZEGIKRCVOVUMV-ZDUSSCGKSA-N 430.938 5.095 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(Oc2cccnc2)cc1 920790199 RPPPOBZRLQYACR-IBGZPJMESA-N 439.443 5.150 30 20 IKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1csc(-c2ccccc2F)n1 920791675 BAAVJGYNDJTZIR-CQSZACIVSA-N 434.279 5.217 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)c2nnc(-c3ccccc3)o2)cc1C 920894098 WQRXYXXQYJRCJS-GOSISDBHSA-N 441.491 5.049 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=S)Nc3ccc(SC(F)F)cc3)cc2)cc1 920998367 MIZIAZIGZUDBEK-UHFFFAOYSA-N 427.501 6.474 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CNc4ccccc43)cc2)CCC1 1788043830 LTUBWHOTIAZNLH-QFIPXVFZSA-N 431.580 5.322 30 20 IKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)CC3CCCC3)CCC2)cc1 1788649535 QDLSOUIDMKSCCO-OUKQBFOZSA-N 436.577 5.201 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccc4ncoc4c3)cc2)CCC1 1789075859 ZCHBBEFPKSBQEP-UHFFFAOYSA-N 429.520 5.344 30 20 IKED CC(F)(F)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)ccc3F)cc2)CCC1 1790762150 UKCJTLWYZIBJGW-UHFFFAOYSA-N 443.469 5.126 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)/C(C)=C/c2cccs2)[C@H]1c1cccnc1 1810176340 XETIGGQFOLOTMQ-AOULRBNRSA-N 449.620 5.021 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C(C)=C/c2ccc(C)o2)[C@H]1c1cccnc1 1810497585 FAPFUYBSIZPZCY-HEMBGHPDSA-N 449.595 5.085 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nc(C(C)C)cs2)n[nH]1 1816063687 WWJYNQNRSPVZGW-GOSISDBHSA-N 443.617 5.288 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)n[nH]1 1818868635 AVIOSLOPLCLGAO-BQBKMSKFSA-N 440.975 5.071 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2)CC1 1827793396 VHIYNOGOFGQJHT-BWKNWUBXSA-N 445.607 5.194 30 20 IKED CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC#N)CC1)c1ccc(Cl)cc1 1831307340 FHCUKEGGJLNBJP-ISKFKSNPSA-N 444.019 5.003 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3CC4(CCC4)C3)CC2)c1 1832480638 ZMCQBTUZCLQFAX-CPJSRVTESA-N 447.623 5.127 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1F)=C(/S)Nc1ccc(Cl)cc1 10832486 PMADSBCJURHLNE-UHFFFAOYSA-O 431.915 5.519 30 20 IKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1ncnc2scc(-c3ccc(F)cc3)c12 22128990 QRQGHOVSPURMNE-ZSEKCTLFSA-N 428.558 5.032 30 20 IKED C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)C(=O)Nc1cccc(C#N)c1 28852410 GOGOKUIQBHTEAM-MRXNPFEDSA-N 443.507 5.064 30 20 IKED CCCCSc1nnc(SCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)s1 29451895 VIGUDQSPXGTWAP-UHFFFAOYSA-N 441.047 5.431 30 20 IKED C=CCn1c(SCc2ccc(C(F)(F)F)cc2)nnc1[C@@H]1COc2ccccc2O1 30024971 WCNYHSRUIULYAM-SFHVURJKSA-N 433.455 5.288 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(-c2ccc(F)cc2)s1 33196232 XAIGHYAEEKQQCF-RYUDHWBXSA-N 439.396 6.194 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(OCc2cccc(F)c2)cc1 63401471 VIZVDYOOWLVINJ-UHFFFAOYSA-N 449.482 5.211 30 20 IKED C=CCN(C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccccc1 64783811 GGVBMWDHMWSPEB-UHFFFAOYSA-N 433.348 5.402 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N(Cc2csc(C)n2)c2ccc(F)cc2)cc1OC 207538294 UMFKGSPYBITEQL-SDQBBNPISA-N 438.524 5.411 30 20 IKED COc1ccc(OC)c([C@H]2C[C@H]2C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1 409542036 BSTFNEDJKJQXLD-ISKFKSNPSA-N 444.506 5.360 30 20 IKED N#Cc1nc(Sc2nnc(-c3ccccc3F)n2Cc2ccco2)ccc1C(F)(F)F 409711986 NENJZONQCYLUAH-UHFFFAOYSA-N 445.401 5.162 30 20 IKED Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 428508722 VNHNCSMDTOKYGX-HXUWFJFHSA-N 427.552 5.403 30 20 IKED CC(C)(c1ccc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1)C(F)(F)F 429685932 QHCVOYOGGJTFRZ-UHFFFAOYSA-N 444.501 5.138 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 429765310 ATGCTBMVCVMCML-ZEQKJWHPSA-N 445.494 5.086 30 20 IKED Cc1ccc(-c2ccc(C)c(NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c2)o1 432991340 DXTFSMGBEZCPOH-UHFFFAOYSA-N 442.519 5.318 30 20 IKED Cc1cc(-c2cc(C(=O)N3CCCC(C)(C)[C@@H]3C#N)c3cnn(C(C)C)c3n2)c(C)s1 434022807 BSMXMTVTZUFUNQ-NRFANRHFSA-N 435.597 5.512 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCOC[C@H]3c3ccccc3)cc2Cl)cc1 437892682 SVOMOCOMAOPOJV-QFIPXVFZSA-N 433.895 5.609 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)c(C)c1 438829122 JIGLQNMFIZFRMV-INIZCTEOSA-N 425.554 5.122 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)Nc3cc(Cl)ccc3Cl)cc2)c1 439537288 YKZRNYMYMXYBGU-UHFFFAOYSA-N 440.286 5.021 30 20 IKED Cc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1 440759637 XTNSAHXEMUGOEK-UHFFFAOYSA-N 439.393 5.255 30 20 IKED C=CCC[C@H](NC(=O)N1CCC(C(=O)N(CC)CC)CC1)c1ccc(C(F)(F)F)cc1 441535128 NBTIGXAXVQOLLE-FQEVSTJZSA-N 439.522 5.003 30 20 IKED C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1cnccc1-c1ccc(C(F)(F)F)cc1 441878769 CLJXCDSHQOXHDT-UHFFFAOYSA-N 445.485 5.301 30 20 IKED Cc1ccc([C@@H](Cn2ccnc2)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C)c1 442203319 BUGXLOHPLIKACZ-SIKLNZKXSA-N 433.581 5.457 30 20 IKED CN(CC(C)(C)C)C(=O)c1cccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1 442671360 LYUGDECOJORGHD-KRWDZBQOSA-N 439.968 5.558 30 20 IKED CC(C)c1cccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 446515987 RUXHWWBEKQWSMV-QFIPXVFZSA-N 431.923 5.696 30 20 IKED CO[C@@H]1CCOc2c(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cccc21 448038433 KKOHETWPFOCNQB-XMMPIXPASA-N 445.494 5.402 30 20 IKED C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]1c1ccsc1 460375935 NIODXMOXUMOLAB-GOSISDBHSA-N 426.611 5.558 30 20 IKED Cc1nc(COc2cccc(C(=O)N(CCC#N)C34CC5CC(CC(C5)C3)C4)c2)cs1 460471112 OQIMCZLYWBTHDP-UHFFFAOYSA-N 435.593 5.355 30 20 IKED N#Cc1cccc(-c2nnc(N3CCC[C@@H]3c3cccc(Cl)c3)n2C[C@@H]2CCCCO2)c1 461825786 GJWXNONESFEOHX-XZOQPEGZSA-N 447.970 5.381 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccccc1CCC(F)(F)F 465480252 NPQZTJFTNNKVJA-UHFFFAOYSA-N 426.463 6.457 30 20 IKED CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 467001868 MZPDASSDFJPXNX-UHFFFAOYSA-N 435.330 5.617 30 20 IKED Cc1ccc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)c(OC[C@H]2CCCO2)c1 467470633 VYJHTZDJBXVLKZ-UYAOXDASSA-N 439.581 5.126 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@H](c3cccc(F)c3)c3cccc(Cl)c3)ccc21 469353127 MICFNLOOYFLFLT-SANMLTNESA-N 447.941 6.264 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCC(=O)Nc1ccc(Br)cc1 475545885 HAKOIVLCLUXKCF-UHFFFAOYSA-N 430.346 5.061 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 475566893 JDIQWSDLTUXSEB-HXUWFJFHSA-N 448.611 5.678 30 20 IKED C=CCn1c(S[C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)nnc1-c1cccnc1 477548357 IXOWNAWNQWXHOF-OAHLLOKOSA-N 437.956 5.996 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3ccccc3NCc3cccnc3)c2)c1 478758212 FMKHZPRJFPCUKI-UHFFFAOYSA-N 434.499 5.397 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 480008483 MCUBDHFWROZMLN-UHFFFAOYSA-N 447.301 5.281 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2F)nnc1-c1cccc(Cl)c1 481379175 WHTCEFUAOJNINK-CQSZACIVSA-N 430.936 5.351 30 20 IKED Cc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481575906 SEWGAULCOWOVIF-XMMPIXPASA-N 429.495 5.954 30 20 IKED CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 482907546 LVAVLPNPSNHPDA-SFHVURJKSA-N 427.504 5.265 30 20 IKED Cn1nc(C(F)F)c2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)sc21 483516350 GJZSDKFPVAAGHT-ZDUSSCGKSA-N 439.472 5.058 30 20 IKED COc1ccc([C@@H](NCc2cc(C#N)ccc2OC)c2ccc(C(F)(F)F)cc2)cc1 486144228 FLKQKKJQNDHSRZ-QHCPKHFHSA-N 426.438 5.473 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nc(C(F)(F)F)cs1 486614267 FMXDPCTVQZBTCB-NSHDSACASA-N 435.402 5.456 30 20 IKED N#C[C@H](C(=O)c1cccc(COC2CCOCC2)c1)c1nc2cc(Cl)ccc2s1 487932809 SQKISVFJUUKCAW-GOSISDBHSA-N 426.925 5.135 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nc(C(F)(F)F)cs1 488312346 JXZJCCSBAVZHOZ-GFCCVEGCSA-N 432.427 5.709 30 20 IKED CCn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nnc1-c1ccc(C)cc1 488920551 PTVKJRUFCREPOI-UHFFFAOYSA-N 429.549 5.117 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1cccc(Cl)c1 489630133 PZEMVOIKUVVWHY-OAHLLOKOSA-N 437.956 5.996 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 496933155 CZBLECVLDMDUQD-UHFFFAOYSA-N 446.363 5.383 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)cc1 499389738 HYQCBLSYTXNYDF-UHFFFAOYSA-N 439.441 5.217 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2ccc(OC(F)F)cc2OC(F)F)c1 502229736 IUGHIAPVJAWGQS-UHFFFAOYSA-N 427.354 5.216 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C)n(CCCOc2ccc(F)cc2)n1 504593886 USNLVNDOBSDWCW-UHFFFAOYSA-N 449.530 5.116 30 20 IKED Cc1ccc(Br)c(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c1 505355671 LGIHXJHQGPLZIK-QFIPXVFZSA-N 435.321 5.331 30 20 IKED N#C[C@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccc(Cl)c(Cl)c1 505911834 HEIMBKVRYKMPJQ-KRWDZBQOSA-N 434.710 5.615 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)cc1 508277019 YHQDDFXELMFGIW-BVZFJXPGSA-N 443.503 5.353 30 20 IKED C=CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 508496694 GAESWYSIPKZPNN-GOSISDBHSA-N 447.514 5.016 30 20 IKED C=CCn1c(-c2ccccc2C)nnc1N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 508871710 GENMCXMIILAMIR-JOCHJYFZSA-N 447.970 5.045 30 20 IKED C=CCOc1cccc(NC(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c1 509229228 XFUAPSVXMOZAEO-UHFFFAOYSA-N 438.531 5.485 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(Cc4ccccc4)n3)n2)cc1 512500891 ZXXAISFGJIMXGZ-SFHVURJKSA-N 426.526 5.219 30 20 IKED N#CCCn1cc(CN2CCC(c3c[nH]c4cc(F)ccc34)CC2)c(-c2ccccc2)n1 512663371 KSUGQDKYJCXBJG-UHFFFAOYSA-N 427.527 5.464 30 20 IKED CC(C)N(Cc1cccc(Cl)c1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 513997107 ONRWZIXUOABUOD-UHFFFAOYSA-N 446.938 5.906 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 514569198 SQSPVGMVKCHOMH-UHFFFAOYSA-N 429.867 5.145 30 20 IKED CCCOc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1OCC 515447902 JRNPORCRNJIXCM-UHFFFAOYSA-N 443.503 5.250 30 20 IKED COc1ccc(OC2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)cc1 516127639 YGQPLYDKUMBGRB-UHFFFAOYSA-N 444.556 5.402 30 20 IKED CC(C)c1ncc(Cl)c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)n1 517461430 IAFWVCUKQZXVJY-UHFFFAOYSA-N 428.867 5.530 30 20 IKED Cc1cccc(COc2cccc(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)c2)c1 517518605 NROGMOUVHLWSHU-FQEVSTJZSA-N 430.573 6.150 30 20 IKED COc1ccccc1CCN(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 517895953 JUWVVTZRQYXYGK-QFIPXVFZSA-N 433.939 5.710 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)Cc1ccccc1-c1ccccc1 518159074 QESRHLFGHRCNLB-LJQANCHMSA-N 443.572 5.202 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)CCCCOc3cccc(C#N)c3)c2)c1 518440396 IHTYRZAOLCFAMJ-UHFFFAOYSA-N 425.488 5.197 30 20 IKED N#CCCCn1cc(-c2nc(Cc3ccn(-c4c(F)cccc4F)n3)no2)c2ccccc21 519031260 GJCQMLIAGMBQSA-UHFFFAOYSA-N 444.445 5.050 30 20 IKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 520325258 FRZHULRZPVUJLY-OAHLLOKOSA-N 425.410 5.598 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)c2cccc(C)c2C)nnc1-c1ccc(Cl)cc1 522368354 KKYDOTGSYMBMRE-QGZVFWFLSA-N 441.000 5.371 30 20 IKED CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 523882453 NUGGKKFMUHWWSW-UHFFFAOYSA-N 442.906 5.462 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)C3CCN(c4nc5ccccc5s4)CC3)c2C#N)C1 524290395 KJDPAYKZHDPOPD-AWEZNQCLSA-N 436.606 5.209 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 530462477 NBLPOHZYRRUJFY-LOSJGSFVSA-N 426.520 5.226 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)cc1)C(C)C 536936190 JDRWHBGWKUSCDU-UHFFFAOYSA-N 440.547 5.304 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1)c1ccccn1 537479726 KPSATGQSOXPTAB-JOCHJYFZSA-N 447.473 5.171 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 538393580 AKLKZVYRBCYQKA-OAQYLSRUSA-N 425.576 5.549 30 20 IKED C=CCN(C(=O)[C@H]1CCC(=O)C[C@@H]1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 538451403 URMZJRDFVCSNAA-MBSDFSHPSA-N 430.573 6.001 30 20 IKED CCCCc1noc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1 541195244 LRMZXRHWMGRRNV-CQSZACIVSA-N 449.317 5.843 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 541706640 XZKDFINHLNECML-ZJSXRUAMSA-N 431.467 5.531 30 20 IKED C[C@H](NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc(-c2cccc(C#N)c2)cc1 541992100 MVCAKTMLIQOHMC-IBGZPJMESA-N 438.531 5.344 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@H](c4ccc(Cl)cc4)C3)n2)c(Cl)c1 542031847 IBKHBOKXAWHTHD-INIZCTEOSA-N 426.307 5.072 30 20 IKED C=CCC[C@H](C(=O)Nc1nnn(Cc2ccc(C(F)(F)F)cc2)c1C)c1ccccc1 549500318 VIQRNTCTCWLELJ-FQEVSTJZSA-N 428.458 5.342 30 20 IKED CN(C)c1cc(C#N)cc(C(=O)N(C)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1 551182517 XINZTXOGSNGZDF-UHFFFAOYSA-N 440.425 5.107 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2cccc3cccnc23)cc1)c1nc(-c2ccncc2)cs1 552276976 NLHKRRCYNUFQHX-JOCHJYFZSA-N 432.508 5.910 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3CCCCC[C@@H]3/C=C\c3cccs3)CC2)c(F)c1 556962775 YSTMZRACUPXZMZ-HEDKFQSOSA-N 437.584 5.460 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N 558404777 HZICSYHJCTVQSR-GXTWGEPZSA-N 442.972 5.531 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](c2ccsc2)C1 562755132 QXVAWSXSCQCHQZ-UZLBHIALSA-N 444.988 5.287 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2nc3ccccc3cc2Br)cc1 564083288 BAIFXCDFAZPTOC-UHFFFAOYSA-N 448.242 5.074 30 20 IKED N#CCCC[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1OC1CCCC1)c1ccccc1 570112883 JXYNREYVTLFZCJ-HXUWFJFHSA-N 439.943 5.151 30 20 IKED Cc1onc(-c2cccc(Cl)c2)c1C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 574892646 XKZJZYDOXJSLLI-MRXNPFEDSA-N 435.789 5.197 30 20 IKED Cc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 579623955 GRTSTEIDDAMYPG-UHFFFAOYSA-N 428.492 5.070 30 20 IKED Cc1c(C(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)sc2ccc(C#N)cc12 581146116 VSNHHYHDNTYUNT-QGZVFWFLSA-N 446.507 5.290 30 20 IKED O=C(Nc1ccc(F)cc1)C1CCN(C(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 586844692 SXUVAIAHYYPHEU-UHFFFAOYSA-N 447.535 5.170 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1csc(C(C)(C)C)n1 588371511 HDHMMKUCJIQVEK-UHFFFAOYSA-N 425.367 5.100 30 20 IKED COc1cccc(CN(CC(C)C)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1 589364130 KTKYNJSXESWNKP-UHFFFAOYSA-N 430.508 5.444 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1nc2ccccc2n1C(F)F 592975719 MCEDPRYDUJDZAI-GFCCVEGCSA-N 446.244 5.414 30 20 IKED N#CCc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccc3ccccc3c2)cc1 604565518 WBMHDNOOIUXDQY-RCXJIHSJSA-N 437.543 5.318 30 20 IKED N#CCC[C@H](C#N)CSc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1 608845896 PDEOLXCAGXFKQH-OAHLLOKOSA-N 444.402 5.748 30 20 IKED CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)n1 609020207 HERKYJBDDIBXMX-UHFFFAOYSA-N 439.475 5.345 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(-c4ncc5n4CCCC5)cc3)cc2)nc1 609504183 XBKODOODMLXFNZ-UHFFFAOYSA-N 435.487 5.198 30 20 IKED C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)NCc1ccc(C#N)cc1F 610402367 JPIRDGIIRUYXOF-MRXNPFEDSA-N 441.959 5.755 30 20 IKED CC(=O)N1CCCN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c2ccccc21 610684752 REAQIZJEGFAWHD-UHFFFAOYSA-N 425.488 5.062 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)cc12 613290587 HOBZHDKFSMTGLX-LJQANCHMSA-N 442.931 6.087 30 20 IKED COCc1nc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c(-c2ccccc2)s1 619649262 VVANGSPLLPHZIE-UHFFFAOYSA-N 442.500 5.268 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)n1CC(F)(F)F 619756532 UTWPNZYLPPYAOV-QGZVFWFLSA-N 428.439 5.153 30 20 IKED N#Cc1ccc(CNC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)cc1Cl 619764188 YZUIBIAJFUYNGV-UHFFFAOYSA-N 433.682 5.031 30 20 IKED O=C(Nc1ccc(F)c(C(F)(F)F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 620816333 RJZLXXQDNRMQED-MBTKJCJQSA-N 440.281 5.876 30 20 IKED C=CCn1c(SCC(=O)N(Cc2ccccc2)C2CC2)nnc1-c1ccc(Cl)cc1 642016771 MXRSMOKZJMHKEU-UHFFFAOYSA-N 438.984 5.068 30 20 IKED C=CCn1c(Cn2ccc3ccccc32)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 669806043 SDVMDIGOIGVMJO-BVAGGSTKSA-N 441.579 5.071 30 20 IKED CCC[C@H](NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F 675202461 KSBWFTHLWILYDY-HFAKWTLXSA-N 432.355 5.578 30 20 IKED O=C(Nc1ccc2c(cnn2C(F)F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 676603847 QLPDNCGTDJREOQ-UWVGGRQHSA-N 444.326 5.462 30 20 IKED CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=S)Nc1ccc(C#N)c(Cl)c1 726441215 JQMOTJUAEUOUDU-HNNXBMFYSA-N 428.989 5.265 30 20 IKED N#CCCCOc1cccnc1NC(=O)CCN1c2ccccc2Sc2ccccc21 726958092 QIBIVARPTRXAMV-UHFFFAOYSA-N 430.533 5.396 30 20 IKED CCOc1ccc(-n2c(-c3cccc(Cl)c3)nn(CN(C)[C@H](C)CC#N)c2=S)cc1 728902609 UEYFPEQBVLPJHT-MRXNPFEDSA-N 441.988 5.314 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccccc2)cc1 731064506 XXYRBPBDUOTJOC-GOSISDBHSA-N 430.529 5.543 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1[nH]c2ccc(F)cc2c1Cl 731072531 LDVUBGSZRNNANY-LBPRGKRZSA-N 445.903 5.008 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 731400139 LHJQECTYYKFIKZ-ZWKOTPCHSA-N 446.617 5.192 30 20 IKED N#C[C@@H]1C(CN(Cc2ccccc2F)c2ccc(F)cc2)=CC(=O)n2c1nc1ccccc12 732205602 SYFJBLKPKOVPCR-OAQYLSRUSA-N 440.453 5.209 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cc(F)ccc2Oc2ccccc2)ccc1OC 733631231 VDVJTGGYZVULLD-LJQANCHMSA-N 449.482 5.629 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c23)c1 733770942 LPRZIBDQHUVHHA-GOSISDBHSA-N 446.551 5.300 30 20 IKED C=CC[C@H](NC(=O)N[C@H](C)c1ccc(OCc2ccccc2)c(OC)c1)c1ccncc1 734659394 BDEHBRFFLSFXIN-XXBNENTESA-N 431.536 5.347 30 20 IKED CC(=NNc1nnc(-c2ccccc2)n1-c1ccccc1)c1c(Cl)nc2ccccn12 737429112 NDJDOJYWXKRQKP-UHFFFAOYSA-N 427.899 5.072 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)OC(=O)c1ccc(C#N)nc1 739301746 MTMWFKUHDZQMJD-GFCCVEGCSA-N 428.311 5.066 30 20 IKED CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740060239 RMULNXQHZHRREZ-UHFFFAOYSA-N 432.593 5.080 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 741538389 MSUQWAJIOYLAEE-HSZRJFAPSA-N 445.950 6.232 30 20 IKED CC(C)n1ncc2cc(/C=C3\C(=O)c4cccc(Br)c4[C@H]3C)c(Cl)nc21 742435031 PHWNIINZFHFGFK-LWHXSLQUSA-N 430.733 5.812 30 20 IKED C=CCN(CCc1ccccc1)Cn1nc(-c2ccncc2)n(Cc2ccccc2)c1=S 744154057 XBJBWPRMIOYVDJ-UHFFFAOYSA-N 441.604 5.213 30 20 IKED CC(C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1occc1COc1cccc(C#N)c1 744925119 CPCRFZPVXINLKM-KRWDZBQOSA-N 432.476 5.038 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1OCc1cn2ccccc2n1 745764766 IEKMGPHUNUAEJT-UHFFFAOYSA-N 438.531 5.083 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc(Oc2ccccc2)ccn1 745947869 QMESZFLRXJJMJN-JOCHJYFZSA-N 449.466 5.627 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 747108812 TUUTZCTVVANNHH-DGCLKSJQSA-N 439.726 5.415 30 20 IKED CCOc1cc(C=Nn2c(CC)nc3ccccc32)cc(Br)c1OC(F)F 750931664 AQDSHOTXAQRTGX-UHFFFAOYSA-N 438.272 5.244 30 20 IKED N#Cc1ccc(-c2ccc(OC(=O)C3CCC(NC(=O)CC4CCCC4)CC3)cc2)cc1 751041274 YROZYWGCSZZLRM-UHFFFAOYSA-N 430.548 5.386 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc2ccc(Cl)cc2n1 752585935 KQYKBRJDLNMCFD-AWEZNQCLSA-N 439.924 5.078 30 20 IKED O=C(/C(=C/c1cnc(-c2ccncc2)s1)c1nc2ccccc2s1)c1ccccc1 753135438 QKDYCHZITFYTSO-RGEXLXHISA-N 425.538 6.238 30 20 IKED O=C1/C(=C/c2nc(Cl)cs2)CC(O)(C(F)(F)F)C/C1=C\c1nc(Cl)cs1 759083036 GXWWVNFJTCMIQC-FACPPWRESA-N 441.283 5.030 30 20 IKED N#C[C@@H](C(=O)CCCn1ccc2cc(Cl)ccc21)c1nc2ccccc2n1C(F)F 760968050 HOAILQKBWZDYIS-INIZCTEOSA-N 426.854 5.696 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)N[C@H](c3ccccc3)c3cccc(Cl)c3)CCO2)c1 761668015 CSNBTTZYHBNLHM-DNQXCXABSA-N 431.923 5.084 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)Nc2ccc(F)cc2OCC#N)nc1-c1ccccc1 761670308 PSVOHBVRQMILFL-HXUWFJFHSA-N 448.498 5.875 30 20 IKED CCO[C@H](C)c1ncc(C(=O)OCc2c(F)c(F)c(C(F)(F)F)c(F)c2F)s1 764901551 ABEQMSMIUDEVAW-ZCFIWIBFSA-N 431.329 5.173 30 20 IKED C=C(Cl)COc1ccc([C@H](C)NCc2csc(CNC(=O)c3ccccc3)n2)cc1 766499740 STUQTZUONXLVLS-KRWDZBQOSA-N 441.984 5.055 30 20 IKED C/C(=C/c1c(Cl)cccc1Cl)C(=O)OCC(=O)Nc1ccccc1SCC#N 766797154 ZPAYYRNCUXNCPK-QBFSEMIESA-N 435.332 5.194 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCCSCc1ccnc(Cl)c1 771490323 QYTJIWHWRQASEW-UHFFFAOYSA-N 439.993 5.421 30 20 IKED N#Cc1ccc(/C=C2/CC3(CCOCC3)C/C(=C/c3ccc(C#N)cc3F)C2=O)c(F)c1 772801065 IRTGZOGRVGJQBZ-IINORCHSSA-N 430.454 5.335 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H]2CCc3c(F)ccc(Br)c32)ccc1OC 772984947 HCUBTQATYWEEDQ-KSSFIOAISA-N 433.321 5.055 30 20 IKED Cc1cccc(C(=O)OCc2ccc(C3(C#N)CC3)cc2)c1NC(=O)c1ccccc1F 777345755 IBHXPRFCTQEUIV-UHFFFAOYSA-N 428.463 5.299 30 20 IKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 780163097 RLPUERPFJALTDK-SFHVURJKSA-N 445.544 5.269 30 20 IKED C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1c[nH]c2ccccc12 786307698 AOEIEOCQDQWFPX-NQIIRXRSSA-N 437.499 5.801 30 20 IKED CC(C)c1ccc(C(=O)[C@@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 787050490 DNLMLDDHNIFAPH-SJKOYZFVSA-N 448.306 5.225 30 20 IKED C#CCn1ccc(CN(CC)Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)n1 789759188 PVFDZZOJNGJHKN-UHFFFAOYSA-N 441.362 5.098 30 20 IKED C[C@H](c1cccc(N2CCOC2=O)c1)N(C)Cc1cccc(OCc2cccc(C#N)c2)c1 789768168 FREGIROLGAYVJB-HXUWFJFHSA-N 441.531 5.287 30 20 IKED C=CC[C@]1(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CCCN1C(=O)OC(C)(C)C 792534913 FRIWXSBNZKAJLY-GAJHUEQPSA-N 429.586 5.223 30 20 IKED CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 793125996 COMFSTPMOGJQOQ-MAUKXSAKSA-N 429.467 5.669 30 20 IKED C[C@H](Oc1ccc(Br)cc1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 798816256 JCDLRMCJIKSWER-HZMBPMFUSA-N 435.730 5.356 30 20 IKED CN(CC(=O)[C@H](C#N)c1nc(O)c2ccccc2n1)[C@H](c1ccc(Cl)cc1)C1CCCC1 799174250 KUVMUMKNFFAAPJ-REWPJTCUSA-N 448.954 5.028 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 804563178 YJCDQWAYWDEUBZ-FQEVSTJZSA-N 446.636 5.042 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccnc(O)c2)ccc1OCc1c(F)cccc1Cl 806555693 HMWQXYABXMCIFQ-VURMDHGXSA-N 427.859 5.454 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(-c2nc(Cn3cnc4ccccc43)no2)c1 904736688 QCVXRBLSOFMKRA-UHFFFAOYSA-N 427.851 5.452 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)cc1 915085280 KDROCUSJTSKYKF-AREMUKBSSA-N 443.510 5.387 30 20 IKED N#C[C@H](C(=O)CCc1ccc(OC(F)F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 915104025 IXVPBIBUQPPKRX-CQSZACIVSA-N 440.393 5.726 30 20 IKED CCOc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1OCC 916907305 XPVBLNGDCNRTFC-FQEVSTJZSA-N 444.487 5.237 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@H]1COc2ccc(Cl)cc2C1 916908944 ORCMXRAYEMBOPU-XLIONFOSSA-N 446.890 5.031 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3cccc(C)c3)n2)cc1 916916259 WHNVGCILZDTVNM-QFIPXVFZSA-N 431.561 5.351 30 20 IKED Cc1cccc(COc2cccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)c2)c1 916937877 HKJKFDREYDNPRF-FQEVSTJZSA-N 436.870 5.328 30 20 IKED CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2oc3c(ccc4ccccc43)c2C)cc1 916938196 IDBCKOYPYPZJOK-NRFANRHFSA-N 440.455 5.032 30 20 IKED COc1ccc2c(c1)CCC[C@@H]2CC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 920108950 ZNFHNLFFZJXDPA-QRWLVFNGSA-N 444.503 5.167 30 20 IKED N#C[C@H](C(=O)CCCOc1cccc(Br)c1)c1nc(-c2ccncc2)cs1 920265273 LBCXPSKOOZZASO-QGZVFWFLSA-N 442.338 5.003 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)OC[C@H](C#N)Cc4ccc(F)cc4)cc3)o2)c1 920880080 WMPZTTRWCXEXOG-IBGZPJMESA-N 441.462 5.390 30 20 IKED CN(Cc1cccc(O)n1)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 1215498459 ZRVMFUBDCUONIL-UHFFFAOYSA-N 442.397 5.134 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(F)ccc4[nH]3)cc2)CCC1 1789230597 JDOYJWIVULCUEJ-UHFFFAOYSA-N 449.526 5.038 30 20 IKED Cn1ccc2cccc(C(=O)NC3(c4ccc(NC(=O)c5ccc(C#N)cc5)cc4)CCC3)c21 1790290351 VPTZSSDENUPDGZ-UHFFFAOYSA-N 448.526 5.111 30 20 IKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@]4(C)C[C@H]4C)cc3)CCC2)cc1C#N 1790425174 DADRIIHQDJRNHD-WXTAPIANSA-N 445.563 5.139 30 20 IKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2)CCC1 1790620663 ICNWVCCNYZPJJQ-UHFFFAOYSA-N 439.515 5.530 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc4sccc4[nH]3)CCC2)cc1 1791298558 AYILESFBSWZFNX-UHFFFAOYSA-N 429.492 5.189 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1811907579 NBGAFIQZHOYIAF-UNMCSNQZSA-N 439.987 5.047 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](c2ccc(F)cc2)C(C)C)n[nH]1 1822288288 HNLJAHNNBCKJHE-HYVJGQCMSA-N 440.563 5.193 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccsc2)CC1 1828825412 VSIVHJGLMXQLDD-DHIUTWEWSA-N 428.642 5.069 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccoc1C 23519200 OXTMAJSNUNERIF-HNNXBMFYSA-N 430.961 5.422 30 20 IKED N#Cc1ccc(-n2c(SCc3coc(-c4cccs4)n3)nc3ccccc3c2=O)cc1 24719824 ZDXOHXYDOYPQBP-UHFFFAOYSA-N 442.525 5.266 30 20 IKED Cc1nc(C)c(-c2nnc(S[C@@H](C)C(=O)/C=C3/N(C)c4ccccc4C3(C)C)o2)s1 25588454 OCRWVXNVDKWNHB-FHXOWUIVSA-N 440.594 5.171 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 108432045 JRAPDOSSXKBFPU-UHFFFAOYSA-N 439.515 5.549 30 20 IKED CC[C@H](C#N)Oc1cc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)ccc1OC 236896397 MZONZCBLQHRVHO-LJQANCHMSA-N 437.521 5.303 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]1c1ccccc1C 303213683 SAQIGLSBMHCGKM-SANMLTNESA-N 425.532 6.123 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1 303271436 HKQJIDVFKJNJKV-KRWDZBQOSA-N 448.519 5.326 30 20 IKED COc1cccc(/C=C(\CC(=O)N2CCC(C)(C#N)CC2)c2nc3ccccc3s2)c1 427477343 XVARIFHFNYWNCN-XMHGGMMESA-N 431.561 5.388 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)NCc1cccc(F)c1C#N 428422854 OGXLALRWYVRLBL-LBPRGKRZSA-N 430.346 5.743 30 20 IKED COc1cc(Br)ccc1CNC(=O)Nc1ccccc1S[C@H](C)CC#N 429451686 MBUWEHSQDWSLKG-CYBMUJFWSA-N 434.359 5.174 30 20 IKED N#CCSc1cccc(C(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccc(F)cc2)c1 429788829 QUHCQOIDZDUZGN-QHCPKHFHSA-N 445.519 5.042 30 20 IKED CCOc1c(Br)cc(Cl)cc1NC(=O)c1cccc(SCC#N)c1 429956943 DCPXGCUAZOITCG-UHFFFAOYSA-N 425.735 5.369 30 20 IKED CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 431977146 KDFYTJXUJJFXFH-HSZRJFAPSA-N 429.524 5.635 30 20 IKED Cc1csc([C@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C2CC2)n1 437951262 WPTLYUWOUNZFKZ-OAQYLSRUSA-N 436.512 5.314 30 20 IKED CN(CC1(c2ccc(Br)cc2)CC1)C(=O)N[C@@H](CCC#N)c1ccccc1 438860256 FTCZGXLXKZSULT-FQEVSTJZSA-N 426.358 5.167 30 20 IKED N#CCC[C@H](NC(=O)C(=O)Nc1ccccc1Oc1ccccc1Cl)c1ccccc1 439428440 ZMQQKYQHDITRGT-IBGZPJMESA-N 433.895 5.232 30 20 IKED CCCc1c(NC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)cnn1-c1cccc(C#N)c1 440075180 SJJHNHCYZOMKJB-UHFFFAOYSA-N 449.580 5.303 30 20 IKED COCc1nc(CNCc2cn(CCC#N)nc2-c2ccccc2)c(-c2ccccc2)s1 441341590 UUPAGIRLVUDZLS-UHFFFAOYSA-N 443.576 5.023 30 20 IKED COCc1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c(-c2ccccc2)s1 442506573 AFEXLMOJSUHILA-GOSISDBHSA-N 445.569 5.879 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1)c1nnc2n1CCCCC2 442668882 FTFMSQRXUZOAIQ-MRXNPFEDSA-N 441.318 5.594 30 20 IKED N#C[C@H](C(=O)c1ccc(OCc2ccccn2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 442686856 LWRKMJADQRCJHV-OAQYLSRUSA-N 445.931 5.928 30 20 IKED CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2c(F)cc(C#N)cc2F)c1 445714238 OUTKFTGXASQNMY-MRXNPFEDSA-N 433.458 5.198 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCn2c(C(C)C)nnc2[C@@H]1C 460373409 HAFLMESIKHIZCG-AWEZNQCLSA-N 446.386 5.124 30 20 IKED C[C@@H](CCc1cccc(F)c1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 463172141 RPTKKWJIRMXZJR-AWEZNQCLSA-N 426.542 5.049 30 20 IKED N#C[C@H](C(=O)c1cc(Br)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccn1 464467254 MPSVADCKRCTBCI-LBPRGKRZSA-N 437.137 5.372 30 20 IKED Cc1ccc(Cl)c(N(Cc2cccnc2)C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)c1 466618312 FTYOWZDXOZQRBV-UHFFFAOYSA-N 441.922 5.256 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cc2cc(Br)ccc2[nH]1 467338335 ZIAAWVNTVROVRD-ZDUSSCGKSA-N 443.370 5.646 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(F)(F)F)cc2Cl)cc1 467931331 WTPOLMDUUVKUQS-YRXWBPOGSA-N 436.817 5.298 30 20 IKED O=C(c1ccc(-c2ccc(OC(F)F)cc2)s1)N(CCC(F)(F)F)CC(F)(F)F 468519784 XAUNSSSKZOGRLF-UHFFFAOYSA-N 447.347 5.973 30 20 IKED COc1cc(CN(C)C(=O)C[C@@H](CC#N)c2ccccc2)ccc1OCc1ccccc1 474286264 CREWYBIIZFSIPJ-XMMPIXPASA-N 428.532 5.320 30 20 IKED COc1ccccc1-c1csc(C2CCN(c3cc(C#N)c4ccccc4n3)CC2)n1 478154445 XKPCOWMUKZWESH-UHFFFAOYSA-N 426.545 5.623 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)c1csc(CC)n1 479161788 JHKIXYLTORLAJV-LBPRGKRZSA-N 426.355 5.066 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccccc1I 479778863 QYGCWTHJJRQRAA-UHFFFAOYSA-N 432.714 5.226 30 20 IKED Cn1cc(CNc2ccc(F)c(NC(=O)C3CCCCC3)c2)c(-c2ccc(C#N)cc2)n1 479922306 JWTMOBOJLVYYSE-UHFFFAOYSA-N 431.515 5.229 30 20 IKED C=CCn1c(SC[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)nnc1-c1cccs1 480385398 HPLOWNZUYKRUCM-PBHICJAKSA-N 436.002 5.077 30 20 IKED C=CCn1c(SCC(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1ccccc1C 481387514 BIJQMDXYCYENCQ-UHFFFAOYSA-N 445.592 5.095 30 20 IKED N#CCCCOc1cccnc1NC(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 481428099 SCZREHGMNXLXGZ-KRWDZBQOSA-N 432.446 5.194 30 20 IKED N#C[C@H](C(=O)c1ccc(COC(F)(F)F)cc1)c1nc(-c2c(F)cccc2F)cs1 483522370 GAZZSCWJROOPBX-CYBMUJFWSA-N 438.377 5.615 30 20 IKED COc1ccc([C@@H](NC(=O)CCc2ccc(C#N)cc2)c2ccccc2)cc1Br 485467456 JBNHCLKITMZEIA-DEOSSOPVSA-N 449.348 5.168 30 20 IKED N#CCCC[C@H](NC(=O)c1ccc(Br)cc1Br)c1ccccc1 487517091 STIQJOLUYMJRKV-KRWDZBQOSA-N 436.147 5.377 30 20 IKED C=CC[C@H](C(=O)Nc1cccc(C(=O)N2CCc3sccc3C2)c1C)c1ccccc1 487552265 PRTHJGPOWWJIGE-QFIPXVFZSA-N 430.573 5.553 30 20 IKED N#Cc1ccc(NC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1Br 487880338 MKZHPMDOPJPQAJ-INIZCTEOSA-N 427.327 5.299 30 20 IKED C[C@@H](Sc1nc(C(F)(F)F)ccc1C#N)c1nc(O)c2c(-c3ccco3)csc2n1 488749904 FQCRLGRDEKKNSP-SECBINFHSA-N 448.451 5.796 30 20 IKED C=CCn1c(SCc2cc(Br)cc3cccnc23)nnc1-c1ccccn1 488891576 BVCWFEZWWHRKME-UHFFFAOYSA-N 438.354 5.129 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cc(Cl)ccc3F)o2)cc1 489781396 UAXGHDJWNHREIU-LBPRGKRZSA-N 433.892 5.213 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)c1C#N 490433002 MPFAFVXCHJYETQ-UHFFFAOYSA-N 446.507 5.196 30 20 IKED N#Cc1ccc(Br)c(CN[C@H](c2ccccc2OC(F)F)C(F)(F)F)c1 492607213 MNWUGWOQDQQUQK-OAHLLOKOSA-N 435.190 5.315 30 20 IKED C[C@@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 495544552 CRYLGYYBAIRWET-OAHLLOKOSA-N 428.517 5.212 30 20 IKED CC(C)[C@@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 497616006 BHBPYYOJWZUXOL-DEOSSOPVSA-N 427.504 5.145 30 20 IKED N#CCCn1cc(CNCC2(c3cccc(Br)c3)CCC2)c(-c2ccccc2)n1 500137408 IMSPKJBAHQCERK-UHFFFAOYSA-N 449.396 5.438 30 20 IKED C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1ccccc1Sc1ccccc1C#N 500219155 LLKAUBNHHQZDNJ-IBGZPJMESA-N 443.572 5.001 30 20 IKED C[C@H](Sc1ccc(Br)cn1)C(=O)Nc1sc2c(c1C#N)CCCCC2 505640444 URLKPZIXEAINPY-NSHDSACASA-N 436.400 5.165 30 20 IKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)cc1 505824395 FBXWCYHACNLVFW-QGZVFWFLSA-N 443.885 5.150 30 20 IKED Cc1ccc(-c2nc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cs2)cc1 508385031 VQLHKNKMOVOKRS-UHFFFAOYSA-N 426.501 5.738 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(OC2CCCC2)CC1 508478388 RFHNVCOKQMVUCE-FQEVSTJZSA-N 446.595 5.685 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(N3CCCCC3)CC2)cc1Cl 510006904 ROADLXAYNHNTAP-QHCPKHFHSA-N 436.987 5.478 30 20 IKED CCN(C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccc(C#N)cc1 510422705 ACQBUPRXYKXQQV-UHFFFAOYSA-N 446.347 5.107 30 20 IKED CC[C@H]1c2ccsc2CCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511465661 QSBMVYFOGJLHPZ-NRFANRHFSA-N 430.533 5.413 30 20 IKED F[C@H](c1ccc(C(F)(F)F)cc1)c1noc(CSc2ccc(C(F)(F)F)cn2)n1 511990003 SGHFMYAXGCGEET-CQSZACIVSA-N 437.340 5.853 30 20 IKED Cc1nc(CSc2ccccc2C(=O)Nc2sc3c(c2C#N)CCCC3)cs1 514923439 OJYQSOCCWZBZOL-UHFFFAOYSA-N 425.604 5.808 30 20 IKED C[C@@H](c1c(F)cccc1F)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 516365553 CAXOUZJEHGNSOI-KRWDZBQOSA-N 435.474 5.835 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC 517132411 SVHUUFDGIFRTQN-HSZRJFAPSA-N 443.503 5.737 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)cc2)cc1 517655023 PGGCJFHZDQIZFM-HSZRJFAPSA-N 439.540 6.132 30 20 IKED Cc1c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)sc2nc(C(F)(F)F)ccc12 520828496 FTJHIIUJROWDRI-NSHDSACASA-N 435.496 6.128 30 20 IKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccccc1 520936249 WQLGWVYIBDDXDB-QHCPKHFHSA-N 427.504 5.193 30 20 IKED COc1cc(CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C2CC2)ccc1O 520941613 UKJJRFBCTPYOPC-UHFFFAOYSA-N 429.476 5.261 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 521823755 LODXFYBEQMHMFB-AWEZNQCLSA-N 444.482 5.849 30 20 IKED COc1cccc(N2CC[C@H](NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)C2)c1 523947172 RRVAGYTWWYSAEG-SFHVURJKSA-N 447.922 5.021 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(-n4ccnc4)c3)cc2Cl)c1 524233423 YUIXZMGXFJJFBM-UHFFFAOYSA-N 428.879 5.229 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N(Cc3cccc(F)c3)C[C@H]3CCCO3)c2)cc1 524664040 DUQALKHLSXBPIX-RUZDIDTESA-N 445.494 5.703 30 20 IKED Cc1ccccc1[C@H]1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CCO1 525604351 LKGNYLFPIVFZOM-XMMPIXPASA-N 428.557 5.373 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC1(c2ccc(F)cc2F)CCOCC1 534087390 HREZSRPPTWTFCP-OAHLLOKOSA-N 431.508 5.044 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cnc(-c4cccnc4)s3)cc2Cl)c1 534139639 YZCVZJNSCHRKGK-UHFFFAOYSA-N 446.919 5.561 30 20 IKED CC[C@@H](C)n1ncc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1C1CC1 534235418 XXMXTWCPLJOKRS-QGZVFWFLSA-N 429.524 6.348 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(-c4ccccn4)c3C)n2)cc1 534380879 UWOBNCVCIAWVTA-OAQYLSRUSA-N 425.513 5.679 30 20 IKED Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 534901811 FAJGMWOOVAADRL-UHFFFAOYSA-N 445.906 5.457 30 20 IKED CC(=O)Nc1cccc2c1CCCN2C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 534911862 CGZBELIPQYGDPN-UHFFFAOYSA-N 445.906 5.555 30 20 IKED COc1ccc(C[C@@H](C)CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC 534964985 HKMNPBUAILLWPC-SJORKVTESA-N 427.570 5.098 30 20 IKED COc1cc([C@H](C)N[C@H](C)C(=O)N(CCC#N)c2ccccc2)ccc1OC1CCCC1 539256855 JCBABQAMBPGTAS-VQTJNVASSA-N 435.568 5.003 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 539761499 KNBKHIGPRVSJCV-PKOBYXMFSA-N 446.580 5.277 30 20 IKED CCN(C(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1ccc(C#N)c(Cl)c1 540272250 DDVIENYHLWSGAJ-UHFFFAOYSA-N 443.985 5.012 30 20 IKED Cc1csc([C@H](C)CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)n1 542677853 OMGSTXDVSMQLAY-CQSZACIVSA-N 440.956 5.481 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)Sc1ccc(C#N)c(C(F)(F)F)c1 543861004 AMTUQMKTUFHJNU-OAHLLOKOSA-N 444.482 5.499 30 20 IKED COc1cccc(C2(NC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2)c1 554172312 MNESSJQPXCNOSB-UHFFFAOYSA-N 427.504 5.151 30 20 IKED CCNc1ccc(C#N)cc1NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 556926773 CRRPEENVEPBELD-UHFFFAOYSA-N 438.487 5.170 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(F)cc3OC3CCOCC3)c2)cc1 557495014 QXGQXTKQLIEBLG-UHFFFAOYSA-N 446.478 5.086 30 20 IKED C=CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](c2nc3ccccc3s2)C1 558675906 UIXXMEGNJQVJLC-QGZVFWFLSA-N 431.565 5.133 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCCOc1ccc(F)cc1Cl 560559996 BJMRVYBNARSWMV-CQSZACIVSA-N 438.977 5.624 30 20 IKED N#Cc1cc(Oc2ccc(N[C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)cc2)ccn1 571697541 BCDHNDLJJRVCKC-RUZDIDTESA-N 438.462 5.677 30 20 IKED COCc1nc(Cc2noc(-c3ccc(Oc4ccccc4C#N)c(Cl)c3)n2)cs1 574844836 ZNXYGDPQPLFZRP-UHFFFAOYSA-N 438.896 5.248 30 20 IKED Cc1cc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c(F)cc1Br 580495801 LZZZMBAMZSAFOA-UHFFFAOYSA-N 426.245 5.208 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cc(C(N)=O)ccc2Cl)c1 582869293 VWICJYYSJDYVAI-UHFFFAOYSA-N 426.259 5.009 30 20 IKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 589365547 BVLGKXGLTYYNDI-CPJSRVTESA-N 442.519 5.377 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CCCO[C@@H]3c3ccccc3)cn2)cc1 604428860 IQQYUBCKXUMOJT-GBXCKJPGSA-N 428.492 5.035 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)cc2)cc1 604456997 JJEGGPSVLKETIB-UHFFFAOYSA-N 439.496 5.917 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(CCc1ccc(F)cc1)C1CC1 604914279 ABQHUQKRVOBJIO-FOLVSLTJSA-N 440.403 5.452 30 20 IKED Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@@H](C#N)c3nc4cccc(C)c4[nH]3)cc12 605363626 SCZAXLSWEOBABW-GOSISDBHSA-N 425.517 5.129 30 20 IKED Cc1cc(Br)oc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609105475 ZLRUHXLPXBAOJH-UHFFFAOYSA-N 429.245 5.193 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2(C(=O)Nc3ccc(F)cc3)CC2)cc1Cl 609164109 HITYDDUMQNCGJE-OAQYLSRUSA-N 447.897 5.492 30 20 IKED COc1ccc(COc2cccc(F)c2)cc1NC(=O)c1cc2ccccc2n1CC#N 609170584 WLBSNYMDXWJPQJ-UHFFFAOYSA-N 429.451 5.144 30 20 IKED N#Cc1ccc(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c(F)c1 609228861 KAUAWSZKRNFXGH-UHFFFAOYSA-N 444.897 5.062 30 20 IKED Cc1ccc(-n2ncc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c2C(F)(F)F)cc1 609376960 MOIHRMGRQCYUSS-OAHLLOKOSA-N 444.482 5.704 30 20 IKED N#Cc1ccc(CN2CCN(C(=O)Nc3cccc(Sc4ccccc4)c3)CC2)cc1 609398342 MKQWMSYWBVXTML-UHFFFAOYSA-N 428.561 5.059 30 20 IKED Cc1nc(C(=O)Nc2cccc(NC(=O)Nc3cccc4c3CCCC4)c2)ccc1C#N 609428612 XQEDDDDDBPEULT-UHFFFAOYSA-N 425.492 5.037 30 20 IKED Cc1ccc(-c2nnco2)cc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 609730217 VBEBGYLLENHIQV-UHFFFAOYSA-N 430.851 5.615 30 20 IKED CCCc1ccc(-c2ccc(NC(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cc2)cc1 609809993 BKUQDXDMYIUHTN-UHFFFAOYSA-N 439.563 5.363 30 20 IKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)N[C@H](C)c2cccc(C#N)c2)cc1 610361859 IQMDAZWONRQQCK-GOSISDBHSA-N 429.545 5.089 30 20 IKED Cc1nc(COc2cccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c2)cs1 613403799 UVQBMSUMNLMPLE-QGZVFWFLSA-N 439.949 5.784 30 20 IKED C=CCN(Cc1ccccc1)C(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 615846200 WWOZMNHEWHRDEP-LJQANCHMSA-N 431.511 5.537 30 20 IKED COCCCC[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccccc1 619312269 MESRRJWAMWECSG-QHCPKHFHSA-N 430.508 5.425 30 20 IKED C=CCn1c(Sc2ncnc3scc(-c4ccc(C)cc4)c23)nnc1-c1ccncc1 669623660 XNXRPWFGLROBSW-UHFFFAOYSA-N 442.573 5.657 30 20 IKED C[C@@H](CC(F)(F)F)NC(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 680990618 OCKKBKGEOOEBNQ-QMMMGPOBSA-N 442.278 5.031 30 20 IKED C=CC[C@H](CC)NC(=O)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 684895507 ZSYVPHYXQDFKCP-JTHBVZDNSA-N 426.605 5.239 30 20 IKED N#CCCn1cc(C(=O)COC(=O)CCc2ccc(Cl)c(Cl)c2)c2ccccc21 725980447 KXHIHTXDNJJZGF-UHFFFAOYSA-N 429.303 5.220 30 20 IKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1C1CCCC1)c1cccs1 726418946 GBUMELWTULCKIP-NPDXCZOBSA-N 445.585 5.220 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)OCC(=O)c2ccc(Cl)cc2Cl)c1 726691608 IEHKBNSAHUCOOE-UHFFFAOYSA-N 430.243 5.077 30 20 IKED N#CC1(c2ccccc2)C/C(=C\c2cccnc2Cl)C(=O)/C(=C/c2cccnc2Cl)C1 728695959 JIJXQARRSSLRIL-KVOOEGMKSA-N 446.337 6.075 30 20 IKED Cc1ccc(N2CCCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CC2)cc1 730174965 OIRLLPMKBUUIHS-UHFFFAOYSA-N 429.495 5.151 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2F)cc1 730375527 JAYCRGIIHMUMTC-UHFFFAOYSA-N 442.805 5.078 30 20 IKED C[C@H](C#N)CSc1ccccc1NS(=O)(=O)/C=C/c1cccc(Br)c1 730997596 LDALBSGFAGSQFD-ATWMFIQVSA-N 437.384 5.113 30 20 IKED N#C[C@H](NC(=O)Cn1c(SC(F)F)nc2ccccc21)c1cccc(Cl)c1Cl 731196077 WPWJNMNLQAYXDK-ZDUSSCGKSA-N 441.290 5.039 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccccc1COc1cccc(C=O)c1 731640072 FLPZSPBCLYZZQT-SFHVURJKSA-N 430.529 5.725 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2csc(-c3cccc([N+](=O)[O-])c3)n2)S1 733083529 LDGMBSCRQWSLGE-YVLHZVERSA-N 436.518 5.227 30 20 IKED N#CCN(Cn1nc(-c2cc(-c3ccccn3)nc3ccccc23)oc1=S)C1CCCC1 738256570 KHMNSKUVFPFDJG-UHFFFAOYSA-N 442.548 5.208 30 20 IKED Cc1ccc2nc(-c3ccccc3)cc(C(=O)OCc3nnc(-c4cccc(C#N)c4)o3)c2c1 744564100 AENMRAAIZLFAMX-UHFFFAOYSA-N 446.466 5.489 30 20 IKED C=CC[C@H](NC(=O)N[C@H](c1cccc(SC)c1)c1ccc(F)c(F)c1)c1ccncc1 745825027 BNMCGLVCDXTTRK-XZOQPEGZSA-N 439.531 5.788 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cc1 747533489 KUAHCWPGZRRROG-CJFMBICVSA-N 444.604 5.437 30 20 IKED O=C(/C=C/c1cnc(-c2cccs2)s1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 751512838 GHILOPYCNUGOPD-VMPITWQZSA-N 443.493 5.104 30 20 IKED Fc1ccc([C@H](Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)c2cnccn2)cc1 753724923 LXLYMNCVVFGSPG-SFHVURJKSA-N 445.338 5.777 30 20 IKED N#C[C@@H](C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1Cl 754532482 VGWBEHZGUJNTLP-ZDUSSCGKSA-N 437.710 5.347 30 20 IKED C[C@H]1CCN(CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)c2cc(Cl)ccc2S1 754666261 MPWRWYIPZHBGGN-YOEHRIQHSA-N 434.952 5.268 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 755001334 MKHXGRKBSCPUMP-SNVBAGLBSA-N 438.278 5.143 30 20 IKED COc1ccc(/C=C(/C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1F 755612205 NGLGJRAWHRVCPB-GQPJMJRUSA-N 426.900 5.891 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)CCCc1cc(Cl)sc1Cl 756232647 DCLBXLUJRQCQRT-CYBMUJFWSA-N 425.337 5.124 30 20 IKED Cc1ccc(N(CCC#N)C(=O)CNc2cc(NC(=O)c3ccccc3)ccc2C)cc1C 759771569 YCUMSVJUMZEDBU-UHFFFAOYSA-N 440.547 5.223 30 20 IKED Cc1ccc(-n2cc(C(=O)Nc3ccc(F)cc3OCC#N)c(-c3ccccc3)n2)cc1 760795616 CWMBZMUQAZZXNW-UHFFFAOYSA-N 426.451 5.142 30 20 IKED CCS(=O)(=O)c1ccc2oc(/C(Cl)=C\c3ccc(F)c(C#N)c3Cl)nc2c1 761480735 SMJRCIXHTWDTJB-NTUHNPAUSA-N 425.268 5.022 30 20 IKED Cc1nn(CC(F)(F)F)cc1C(=O)O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 763520999 FZKMZZLSRYGEEJ-LBPRGKRZSA-N 434.258 5.233 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC(O)(c3ccccc3Cl)CC2)cc1 765535758 KVRVRBBURADESB-UHFFFAOYSA-N 445.950 5.072 30 20 IKED CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccn1 766135464 GGNHSBWGBBKQNQ-QHCPKHFHSA-N 442.519 5.014 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\C(=O)c3ccccc3[C@@H]2C(C)C)cs1 766506635 PNVNYFFRRXTDRV-ZAAFRKLLSA-N 436.964 6.501 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 770210742 LCCCEEQMVZTZOK-HNNXBMFYSA-N 442.294 5.327 30 20 IKED N#CCCn1cc(CN2CCCCC[C@@H]2C[C@H](O)c2cccs2)c(-c2ccccc2)n1 770297294 YRYIRBIIIJRTJF-PKTZIBPZSA-N 434.609 5.394 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2nc3ccc(Br)cc3s2)S1 772174364 ANHFKMTZYHURRH-OQLLNIDSSA-N 444.379 5.567 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(-c3ccccc3OC)cc2)ccc1OC 772978591 GGCXZMGDYYAUGD-WMZHIEFXSA-N 430.548 5.903 30 20 IKED CC[C@@H](N[C@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1OC(F)F 775049523 KYHWMPJZSDNGCD-PSASIEDQSA-N 438.343 5.051 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1csc(-c2cccc3ccccc23)n1 778297121 HHQXZQYNXBMXQN-LJQANCHMSA-N 441.512 5.323 30 20 IKED N#Cc1c(F)cccc1C(=O)OCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 778373792 DTBOQWHNCRRKFL-UHFFFAOYSA-N 436.053 5.106 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 780150753 WMAFFZVLTDLYMZ-CYBMUJFWSA-N 442.338 5.045 30 20 IKED Cc1csc(Sc2ccc(C(=O)Nc3ccccc3O[C@@H](C)C#N)cc2[N+](=O)[O-])n1 780152668 GODBZVQJKDWJAJ-ZDUSSCGKSA-N 440.506 5.054 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cccc4ccc(OC)cc34)n2)cc1 780327328 HAQDTLXBWBMNTI-QFIPXVFZSA-N 428.513 5.399 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cc(Br)cnc3Cl)cc2)cc1 787959991 OMKDACYXXNIXJR-UHFFFAOYSA-N 442.700 5.608 30 20 IKED O=C(C[C@H]1SC(=Nc2ccsc2)N(CCCF)C1=O)Nc1ccc2ccccc2c1 790756197 DYKPEAZSWLIWGU-LJQANCHMSA-N 441.553 5.221 30 20 IKED N#CCOc1ccc(CC(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)cc1 791882546 MPOCXWDNRPUHFK-UHFFFAOYSA-N 428.275 5.264 30 20 IKED C[C@@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1nnc(-c2ccc(Cl)cc2Cl)o1 795981041 GYUMKVCXMKYVRQ-UKRRQHHQSA-N 430.291 5.735 30 20 IKED C=CCCc1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 800155975 CZXJQYDKADYCHA-CYVLTUHYSA-N 442.631 5.487 30 20 IKED N#Cc1ccc(CNC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1Cl 801071066 VYYUCWNGFJWSIU-UHFFFAOYSA-N 431.801 5.348 30 20 IKED CC(C)(CCC#N)CNC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 809260494 GCLSUKAHMMIHAB-UHFFFAOYSA-N 429.630 5.068 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2Cc3ccccc3[C@@H](c3ccccc3)C2)c1=S 887566524 CTGKASCOMFZCNM-XMMPIXPASA-N 439.588 5.267 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=NNc1ncccc1C(F)(F)F 915050357 LNVNZPOESKMDFX-UHFFFAOYSA-N 428.245 5.406 30 20 IKED CSc1ccc(N2C[C@@H](C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2=O)cc1 915085144 HDYJCIFRYTUSRE-GBXCKJPGSA-N 441.556 5.056 30 20 IKED COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2ccc(OCC#N)cc2)cc1 916152282 VRMYKLKKDASEEP-WJDWOHSUSA-N 435.483 5.346 30 20 IKED COc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1CC(=O)O 916547004 UVJBECSKZGXECY-WZUFQYTHSA-N 449.890 5.124 30 20 IKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)COc2ccc(Cl)cc2C2CCCCC2)c1 916892358 ZRBSVADORRRHFM-NRFANRHFSA-N 440.927 5.123 30 20 IKED CC(C)COc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916907357 YDAPCHAYMURQCH-JOCHJYFZSA-N 428.488 5.475 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3cccc(C)c3)n2)cc1 916949516 OSLHKWNTINQMTQ-JTSKRJEESA-N 431.561 5.522 30 20 IKED C[C@H](Oc1cccc(F)c1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996676 NQEYQSFWIQAAED-MEDUHNTESA-N 435.307 5.900 30 20 IKED N#C[C@@H](C(=O)COc1cc(Cl)c(Cl)cc1Cl)c1nc(-c2ccccc2)cs1 917024908 CFQUSHJGSJGQLX-LBPRGKRZSA-N 437.735 6.026 30 20 IKED CCc1c(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)oc2ccccc12 917559072 DNRAMUOSOTWXLQ-SDNWHVSQSA-N 430.529 6.341 30 20 IKED N#C[C@H](C(=O)[C@H]1COc2ccc(Cl)cc2C1)c1nc(-c2c(F)cccc2F)cs1 920803830 DSOMQGJQXXPMPM-TZMCWYRMSA-N 430.863 5.169 30 20 IKED CC(C)CC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1787665074 VUADKLVTAILKOC-UHFFFAOYSA-N 433.552 5.139 30 20 IKED Cc1cccc(-c2cnccc2C(=O)Nc2ccc(C3(NC(=O)CCC#N)CCC3)cc2)c1 1788359454 SDNLWUYQAVDMFZ-UHFFFAOYSA-N 438.531 5.109 30 20 IKED Cc1cccc(Cl)c1C(=O)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1 1790683534 UMQSGSVWGMRTLB-JFLMPSFJSA-N 449.938 5.108 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4occc4c3O)cc2)CCC1 1790931848 KIDHEEPMKRFBEJ-FQEVSTJZSA-N 444.531 5.655 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)CCC1 1791010356 JXFJJNTZDDDNKE-UHFFFAOYSA-N 435.505 5.133 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C4CC5(CCC5)C4)CCC3)cc2)c1 1792124217 PRDKNUNFZUFYJG-IBGZPJMESA-N 441.575 5.642 30 20 IKED Cc1ccsc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1816350896 GXJDIUICEOPUHQ-UZLBHIALSA-N 447.564 5.026 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)[nH]n1 1821920974 BBEWJLLEFQWSEA-IFXJQAMLSA-N 440.931 5.327 30 20 IKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1Cl 1823907927 LMJXBMXHPWDZGG-XMMPIXPASA-N 449.982 5.067 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCCCC2(F)F)CC1 1824139995 UXOCRERCSPTLOC-VXKWHMMOSA-N 436.587 5.200 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@]2(F)CCCC=C2F)CC1 1824146183 UITCCTYSCGIYQU-BWKNWUBXSA-N 434.571 5.120 30 20 IKED O=C(/C(=C(/S)Nc1cccc(Br)c1)[n+]1ccccc1)c1ccc(F)cc1F 11084991 MBMXGYOFCLRKHF-UHFFFAOYSA-O 448.312 5.066 30 20 IKED C=CCn1c(COc2ccccc2F)nn(CN(Cc2ccc(F)cc2)C2CC2)c1=S 23852356 OCEWTIJCEFXKBC-UHFFFAOYSA-N 442.535 5.079 30 20 IKED CCN(C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1)[C@H](C)c1ccc(C#N)cc1 105907354 ALJFWPRZTWDMQC-LJQANCHMSA-N 436.515 5.807 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 303313968 RTWUAZFRGYKKIH-QGZVFWFLSA-N 444.585 6.105 30 20 IKED Cc1nc(NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)sc1SCC#N 303670440 YNJHOYZZHGTLNN-UHFFFAOYSA-N 439.488 5.269 30 20 IKED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3ccc(-c4ccc(OC(F)(F)F)cc4)s3)nc12 429571047 BVSKVDGGAUFQHS-AWEZNQCLSA-N 442.422 5.384 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCOC[C@H](C4CCC4)C3)cc2Cl)cc1 432766611 DDJCLHOGNCMJFG-GOSISDBHSA-N 425.916 5.284 30 20 IKED COc1cc(CN[C@@H](c2ccccc2)C2(CO)CCC2)ccc1OCc1cccc(C#N)c1 433303154 ZUGDETMQLSYUBD-MHZLTWQESA-N 442.559 5.139 30 20 IKED N#Cc1c(NC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)sc2c1CCC2 435187828 UOQGKGRFONWQAP-UHFFFAOYSA-N 434.304 5.235 30 20 IKED Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 437906022 BYBYSJZIFBRLJS-UHFFFAOYSA-N 444.560 5.505 30 20 IKED CCCc1c(NC(=O)Cc2csc(-c3ccc(C)cc3)n2)cnn1-c1cccc(C#N)c1 440080659 QUGXLLBWFZHJAO-UHFFFAOYSA-N 441.560 5.310 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)Nc1cccc(CCC(F)(F)F)c1 442026366 NEMFHHKHDVLQCW-CQSZACIVSA-N 435.471 5.153 30 20 IKED COc1cc(C#N)ccc1OCc1nc(C2(c3cccc(C(F)(F)F)c3)CCC2)no1 445532861 PAZDJQUXJADXDM-UHFFFAOYSA-N 429.398 5.018 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c1C#N 445562480 DDTNEEPLBOAPMF-JKSUJKDBSA-N 442.466 5.227 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCC3(CCCCC3)C2)c1 461138511 GBTQOVWZDYVTOF-UHFFFAOYSA-N 433.577 5.085 30 20 IKED Cc1nn(C)c(C)c1C[C@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 466091730 KABNEIBAUGNYOD-OYHNWAKOSA-N 435.959 5.099 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)CN[C@H](c3ccccc3)C(F)(F)F)c2)cc1 469233096 UKCMKUOSHSDBBB-JOCHJYFZSA-N 425.410 5.182 30 20 IKED Cc1nn(C(F)F)c(C)c1CC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 474263423 GJWWHCDFLWSROO-CQSZACIVSA-N 443.338 5.266 30 20 IKED N#Cc1cc(C(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)ccn1 475529501 QXBVTMAWTHHZIY-UHFFFAOYSA-N 430.851 5.093 30 20 IKED Cc1cc(Br)c2ccccc2c1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 477536297 KTPAPLDUHGIQMU-UHFFFAOYSA-N 434.215 5.449 30 20 IKED C=CCn1c(SC[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)nnc1-c1ccccc1C 480419129 QXTQIEGDLZDHLX-FXAWDEMLSA-N 444.000 5.324 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCCOc3c(F)cccc32)cc1 481610995 KNGPZYOGJYWYJZ-XMMPIXPASA-N 445.494 5.506 30 20 IKED CCCCn1ncc(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1C(C)C 484656347 RXYNIDIMCMIFOK-UHFFFAOYSA-N 436.560 5.034 30 20 IKED N#CCCCOc1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 485765603 XRNFJTGLQVCBNY-UHFFFAOYSA-N 431.448 5.109 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(NC(=O)C4CCCCC4)c3)s2)cc1 487384418 HREYXORJHVGHNV-UHFFFAOYSA-N 444.560 5.377 30 20 IKED Cc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cnn1-c1ccc(Cl)cc1 487439563 AFUMUTUDMONDCF-UHFFFAOYSA-N 433.924 5.005 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 487839377 JURSPWYZOUDGON-MSOLQXFVSA-N 426.360 5.272 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](COc1ccccc1F)C(C)(C)C 490311702 ACBQAEIEZUPSHB-KKSFZXQISA-N 429.561 5.693 30 20 IKED C=CCN(C(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1)c1nc2c(s1)CCCC2 498300572 WYADCNZLGYKGES-UHFFFAOYSA-N 441.988 5.212 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)c(C(F)(F)F)c1 499552257 HPYAEFSUFKSRBS-MRVPVSSYSA-N 425.369 6.405 30 20 IKED N#C[C@@H](NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)c1ccc(Cl)c(Cl)c1 505966301 PHOOEUUZZBQCMY-SGHMQOHBSA-N 431.285 5.823 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnc3ccccc3c2C(F)(F)F)cc1 508147835 MVMXCIFUNXIMIE-UHFFFAOYSA-N 439.437 5.320 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)cc1OC 511827003 SCWNWUBCLXRPOW-UHFFFAOYSA-N 444.409 5.718 30 20 IKED N#Cc1c(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)sc2c1CCCCC2 512008447 QDYKAQUBJMPNMW-UHFFFAOYSA-N 426.929 5.163 30 20 IKED CC(C)(C)c1ccc(-c2nnc(SCCC(=O)Nc3ccc(C#N)c(Cl)c3)o2)cc1 514487849 SULNCSBAHJBSHT-UHFFFAOYSA-N 440.956 5.680 30 20 IKED Cc1nc(C)c(-c2csc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)n2)s1 514830273 ZTPISFUEWYRYGY-UHFFFAOYSA-N 446.557 5.586 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCC1CCN(Cc2cccs2)CC1 517532860 PKMZRJIFTXOTTB-QGZVFWFLSA-N 428.627 5.176 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccccc4Cl)o3)n2)cc1 517800649 ABTDCNLBANPXRW-QGZVFWFLSA-N 429.888 6.085 30 20 IKED CCOC(=O)C[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(F)cc1 518259873 QRNCODTTZOINAL-HNAYVOBHSA-N 429.517 5.036 30 20 IKED Cc1sc2nc(SCC(=O)Nc3ccccc3S[C@H](C)CC#N)nc(N)c2c1C 520814801 MXVWOCAOBKAPKE-LLVKDONJSA-N 443.623 5.015 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(CCc1ccccc1)Cc1cccnc1 520939351 SKKDAZCXRWWPOG-FQEVSTJZSA-N 430.577 5.753 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(N4CCCCC4)nc3)cc2)cc1 521365888 FMZFTEDVKFIDCF-UHFFFAOYSA-N 427.508 5.058 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C 523715520 NBNRRADHRAURPY-UHFFFAOYSA-N 426.442 5.336 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1 525348723 MFFAFYJKUZWQPH-DEOSSOPVSA-N 443.503 5.257 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)cc1 530796517 PTTDJMMFQYTBAC-IBGZPJMESA-N 449.526 5.137 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccc4[nH]ccc34)s2)c(C(F)(F)F)c1 531339235 XSECMODZRCWMDS-UHFFFAOYSA-N 426.423 5.358 30 20 IKED Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1 531973748 DSLJHEHLGHOOPT-QFIPXVFZSA-N 432.911 6.076 30 20 IKED CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 532130683 TWIHDOSKIOCPCS-LJQANCHMSA-N 435.524 5.326 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1cc(F)c(Cl)cc1Cl 537040974 HFLHGAGTPDMWCP-QWHCGFSZSA-N 440.371 5.816 30 20 IKED CC(C)N(Cc1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1)C[C@@H]1CCCCO1 539697604 RBWYRZMABUWDLU-VWLOTQADSA-N 431.580 5.274 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CNC1(c2cccc(C(F)(F)F)c2)CCC1 540456503 WKDGUOSNGJXLDS-INIZCTEOSA-N 447.526 5.565 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 541368990 VTHRINOKZOXEID-UHFFFAOYSA-N 449.963 5.639 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)NCc1ccc(F)cc1C#N 543496245 DLPWHJONYYLBRC-LBPRGKRZSA-N 430.346 5.743 30 20 IKED Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 543852041 GOBYJFJBGXWTNZ-LJQANCHMSA-N 440.547 6.011 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccn(-c4cccc(C(F)(F)F)c4)n3)cc2)nc1 544016836 PMBZPKBAFOTPCQ-UHFFFAOYSA-N 449.392 5.202 30 20 IKED O=C(NCC[C@H](O)C(F)(F)F)c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1 547405462 HQGAOXQNLPWQLZ-HNNXBMFYSA-N 441.368 5.039 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1CCC(OC[C@@H]2CCCO2)CC1 549608286 NEPMFUWBEKXJMB-VUNKPPBISA-N 434.536 5.352 30 20 IKED N#Cc1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nc2c(c1-c1ccco1)CCC2 553469215 QDEKFNKFHKVERP-UHFFFAOYSA-N 434.908 5.698 30 20 IKED N#Cc1ccc(Oc2cccc(-c3nc(CC(=O)Nc4ccccc4Cl)no3)c2)cc1 553707869 RBQBKLKYXAZGQY-UHFFFAOYSA-N 430.851 5.235 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Oc2ccc(C)cc2OC)nc1 554166563 LTVGZXWOURURGJ-UHFFFAOYSA-N 449.555 5.579 30 20 IKED Cc1c(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)sc2ccc(C#N)cc12 555858622 NWMMCPFJHRGUJR-UHFFFAOYSA-N 437.480 5.134 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C 558759230 XCTLKLYRBJVQPR-CVDCTZTESA-N 436.625 5.503 30 20 IKED N#Cc1ccc(-c2nnc(CN[C@H](c3cccc(C(F)(F)F)c3)C3CCCCC3)o2)cc1 558861403 YSZOCLLEVUXJAY-QFIPXVFZSA-N 440.469 6.038 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)c1cc(C#N)ccc1Cl)C(F)(F)F 560598861 JEKHSMXKJGXPQC-LJQANCHMSA-N 432.833 5.048 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cnn(CC(C)C)c2C2CC2)cc1C 571195527 XMLRMKHQTKFONL-UHFFFAOYSA-N 430.556 5.063 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3cc(-c4ccccn4)ccc3Cl)cc2)ccn1 577051346 FFVCNAVHZGDIIV-UHFFFAOYSA-N 426.863 5.713 30 20 IKED COc1cc(C#N)ccc1OCCCc1nc(C2(c3cccc(C(F)(F)F)c3)CC2)no1 589154550 LDGWCWCUYFPFJR-UHFFFAOYSA-N 443.425 5.060 30 20 IKED O=C(CCc1ccccc1OC(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 589320830 REJUZNFGIFTLFH-RYUDHWBXSA-N 437.302 5.107 30 20 IKED CC(C)N(Cc1ccccc1F)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590979381 WBQYZZBQBYFFJD-FICVDOATSA-N 428.392 5.655 30 20 IKED COC(=O)CCSc1cc(Cl)ccc1NCc1ccc(C#N)cc1Br 600856664 PKKYZGWXEUYJTC-UHFFFAOYSA-N 439.762 5.241 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)N(c1cccc(Cl)c1)c1nc2ccccc2s1 601872364 YCZKDVHPNRPVAZ-HNNXBMFYSA-N 433.920 5.954 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C3(c4cccc(Cl)c4)CCOCC3)cn2)c1 604302671 JZXIJTBEXAWJDK-UHFFFAOYSA-N 433.895 5.086 30 20 IKED CCN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@H](C)c1cc2ccccc2o1 604362141 MGZXETDZQHBJJG-QGZVFWFLSA-N 426.476 6.107 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)Nc2cccc(C#Cc3cccs3)c2)cc1)C(C)C 604904503 CIAAKERTRVZZEL-UHFFFAOYSA-N 431.561 5.549 30 20 IKED Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 609064737 MUMUTSWMDXWYOE-UHFFFAOYSA-N 429.501 5.343 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCO[C@@H](c2cccc(F)c2)C1 609079442 CPXVUTBOUWZHSS-RUZDIDTESA-N 445.494 5.190 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1Cl 609163850 AWFRBAAYGRMYKW-XMMPIXPASA-N 429.951 5.844 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3cc4c(C(F)(F)F)cc(O)nc4o3)c2)cc1 609177319 OSKZZPLFRNJPES-UHFFFAOYSA-N 439.349 5.468 30 20 IKED N#CCn1c(C(=O)N(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)cc2ccccc21 609216009 XMCJZPGIPGKHEO-TWGQIWQCSA-N 449.510 5.296 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@H](Cc3ccccc3)C2)cc1C 609265713 QTBUCWKTYRWIMK-HSZRJFAPSA-N 426.564 5.176 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1ncc(-c2ccc(Cl)cc2)o1 609370603 HPECESXDBSYXOY-CQSZACIVSA-N 443.981 5.978 30 20 IKED CN(Cc1cc(Br)cs1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609434381 ASWMLHDBJUCLNC-UHFFFAOYSA-N 442.338 5.838 30 20 IKED C[C@@H](Oc1ccccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccccc1 609666869 IMAWBESXFLQPHL-OAQYLSRUSA-N 441.531 5.492 30 20 IKED C[C@H]1C[C@H](N(C)C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CCN1Cc1ccccc1 609995407 BEDPFNSFTDRNND-KDYSTLNUSA-N 438.575 5.427 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CC[C@@H]2c2cccc(F)c2)cc1Cl 610384026 ZONGNUSLKMPYLW-FYYLOGMGSA-N 447.897 5.047 30 20 IKED CC(C)(C)OCc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 610637814 UNZUEVAGWSFORR-UHFFFAOYSA-N 430.573 6.418 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(C(=O)OC(C)(C)C)c1 611432076 OBTARZNKPUKGOM-MRXNPFEDSA-N 425.554 5.215 30 20 IKED N#Cc1ccc(CSc2nnc(-c3ccccc3F)n2C2CC2)c(Br)c1 611491487 KTDGKANBNQMVEJ-UHFFFAOYSA-N 429.318 5.346 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC([C@H]4CCOC4)CC3)cc2Cl)c1 612305204 RBUWYOYXXGEPQY-FQEVSTJZSA-N 439.943 5.071 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H](Oc2cccc(F)c2)C1 612305257 VPVHJFCUCGKWHL-XMMPIXPASA-N 445.494 5.270 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnn1Cc1ccccc1 613403127 BPKKUHYXUOLSGI-MRXNPFEDSA-N 440.450 5.358 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 615474293 KYZGDAFQCGQPEK-UHFFFAOYSA-N 426.567 5.059 30 20 IKED COc1ccc(-c2nnc(S[C@H](C#N)c3ccc(Cl)cc3)n2C[C@@H]2CCCO2)cc1 619863772 CIMKEMDGMVMYHB-VQTJNVASSA-N 440.956 5.143 30 20 IKED O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1cccc(C#Cc2ccccn2)c1 626613826 MCGKOHLKWYGNOQ-UHFFFAOYSA-N 427.891 5.361 30 20 IKED C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 681511304 GIAPAUDVBQTOCH-LDMBFOFVSA-N 428.339 5.268 30 20 IKED O=C(c1cc(F)c(C(F)(F)F)c(F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 683195263 GTKJEELHELYXQT-HTQZYQBOSA-N 429.229 5.187 30 20 IKED CCn1c([C@@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nc2ccccc21 726074483 PWSJLBBIXJBQSC-OZXSUGGESA-N 449.558 6.081 30 20 IKED COc1ccccc1-c1nc(COC(=O)c2occc2COc2cccc(C#N)c2)cs1 726691712 JRGBZWQVFNMARH-UHFFFAOYSA-N 446.484 5.219 30 20 IKED C#CC[C@@H](OC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)c1ccccn1 727775778 OYSVJTYRKAOODW-DNVCBOLYSA-N 426.925 5.320 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cccc(OC(F)(F)F)c1 727970974 JOXHOQRCMPUJEB-UHFFFAOYSA-N 429.423 5.214 30 20 IKED C=CCn1c(SCC(=O)NC(C)(C)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 728499775 DYFYLLZECSWLNL-UHFFFAOYSA-N 444.963 5.067 30 20 IKED CN(C)c1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)NCCCCC#N)cc1 728849759 CKERNWCKQMZYRS-XUTLUUPISA-N 438.575 5.601 30 20 IKED Cn1c([C@@H](C#N)C(=O)[C@@H](Sc2ccc(F)cc2F)c2ccccc2)nc2ccccc21 730072330 UBKWWRVEKUGLOQ-SBUREZEXSA-N 433.483 5.561 30 20 IKED Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)CC1CCOCC1 735245742 QBRUALVWINPROG-NRFANRHFSA-N 439.537 5.024 30 20 IKED N#CCOc1ccc(Cl)cc1CN1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 735309624 QOCZZDKDSQJUSD-IBGZPJMESA-N 429.706 5.262 30 20 IKED Cc1csc(-c2cccc(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)c2)n1 740408563 XRTSMSIEDBJWOB-UHFFFAOYSA-N 429.501 5.027 30 20 IKED C=CCOc1ccc(OC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 742860009 IYLFVLQQOYGTOV-UHFFFAOYSA-N 440.849 5.141 30 20 IKED C=CCOc1ccc(/C=C2/SC(=S)N(c3cccc(OCC)c3)C2=O)cc1OC 743284093 JHTLQIKUTNQANO-DEDYPNTBSA-N 427.547 5.065 30 20 IKED C[C@H](Oc1cccc(Br)c1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 744034525 AJGMXGNBLXAQCJ-IINYFYTJSA-N 435.730 5.356 30 20 IKED CCOc1ccccc1C(F)(F)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 753078278 KFUZUPWXMSVZMI-GDNZZTSVSA-N 433.339 5.203 30 20 IKED Cc1sc([C@@H](C)NC(=O)c2ccccc2SCC#N)nc1-c1ccc(Cl)cc1 755618470 GXMJMBSPBQGBSL-CYBMUJFWSA-N 427.982 5.879 30 20 IKED COc1ccc(O)c(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)c1 757467646 HSCBPDSSCYKGHZ-UITAMQMPSA-N 428.897 5.091 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C\c1ccc2ccc(Cl)cc2n1 759204927 GZOIFQSWAZYWMI-BIGNBACZSA-N 431.923 5.374 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCCCN3Cc3ccc(F)cc3)n2)cc1 760974989 UMXKTQWBBFSUMF-JTHBVZDNSA-N 449.551 5.189 30 20 IKED N#C[C@H](C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)c1nc2cc(Cl)ccc2s1 762068467 SGRNLNWDWFZFCU-CQSZACIVSA-N 443.315 5.462 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)c3cccc(OCc4cccc(Cl)c4)c3)CCO2)c1 762299558 KAZVAPLIHWIZCW-DEOSSOPVSA-N 432.907 5.004 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc2c(ccn2Cc2ccccc2)c1 763930052 LATLXMVXXDCZTF-JOCHJYFZSA-N 437.499 5.049 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@H]2c2ccc(OCC)cc2)c1=S 764861649 SGBFFVHBRNGPOV-QFIPXVFZSA-N 435.597 5.245 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC1(CNC(=O)OC(C)(C)C)CCCC1 766042310 RATGAOIBQIDKIN-MRXNPFEDSA-N 432.590 5.040 30 20 IKED C#CCOc1ccc([C@@H](C)N[C@H](c2ccc(CC)cc2)c2cccc(S(C)(=O)=O)c2)cc1 766277844 PUQGEDOKTWMCPS-NFQMXDRXSA-N 447.600 5.105 30 20 IKED N#C[C@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)C(=O)Nc1ccc(Cl)cc1 769942513 MRTDEKUDYUPESX-AVIKPIRVSA-N 427.209 5.287 30 20 IKED N#Cc1ccsc1NC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 772021006 LUGZBUYQDYOOGA-UHFFFAOYSA-N 434.702 5.475 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H]3C[C@H](O)c3ccc(F)cc3)c2)cc1 773268546 HAHLUSPIYFHENP-DHLKQENFSA-N 445.494 5.610 30 20 IKED C[C@H]1CCCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)[C@H]1CNC(=O)OC(C)(C)C 775334789 AUMQPVKPNNUANG-SCTDSRPQSA-N 446.617 5.238 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@H]2c2nc3ccccc3o2)cc1 775486504 CHPCREAGQDABPP-VWNXMTODSA-N 436.515 6.242 30 20 IKED CCOc1ccc2c(c1)[C@H](NC(=O)Nc1ccc([C@@H](C#N)c3ccccc3)cc1)CCO2 775489655 WTUCMTCSGHDMSN-BJKOFHAPSA-N 427.504 5.386 30 20 IKED CCCOc1c(Br)cc(CNc2ccc(F)cc2OCC#N)cc1OCC 779609826 ZCYYATNTMDQNHY-UHFFFAOYSA-N 437.309 5.290 30 20 IKED CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=S)Nc1ccc(C#N)c(Cl)c1 780237794 YLPHEVMAIWDCFH-UHFFFAOYSA-N 444.988 5.034 30 20 IKED CCCCOc1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(C)c1 783466267 GSAUIINKEPQUBV-DEOSSOPVSA-N 441.531 5.407 30 20 IKED N#CC1(CCCOC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)CCOCC1 800101105 UTRIINOWAXUGQQ-UHFFFAOYSA-N 440.952 5.874 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(F)cc2OCCC(F)(F)F)c1 800593195 ARMXLQHBBIZLRU-MRXNPFEDSA-N 439.409 5.160 30 20 IKED CC(C)(C)OC(=O)NC1[C@H]2CCC[C@H]1CC(C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)C2 802833866 YXDZDZMKOQHZKC-KJQIQPIZSA-N 445.629 5.336 30 20 IKED N#Cc1ccccc1N=c1scc(-c2cnccn2)n1[C@@H]1CCO[C@@H](c2ccccc2)C1 803182473 XSPCGZICJZIAJE-HYBUGGRVSA-N 439.544 5.203 30 20 IKED N#Cc1c(NC(=O)c2cnn(Cc3ccccc3)c2Cl)sc2c1-c1ccccc1CC2 808285056 SMJPEFBAWBGGBB-UHFFFAOYSA-N 444.947 5.536 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1cccc(O)c1OC)C(=O)c1ccccc1 810239571 XFJVBYGJWDFSTC-XLNRJJMWSA-N 429.516 5.431 30 20 IKED C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813217117 JNHTUDXDUXNKTK-ABAIWWIYSA-N 435.858 5.659 30 20 IKED Cc1oc2c(CN(C)Cc3ccc(C#N)cc3)c(O)ccc2c(=O)c1-c1ccccc1Cl 914783358 YNBWOBPEKHWRDU-UHFFFAOYSA-N 444.918 5.631 30 20 IKED Brc1ccc(OCc2ccccn2)c(C=NNCc2cccc3cccnc23)c1 915959911 UWYCQGDPVKZROV-UHFFFAOYSA-N 447.336 5.095 30 20 IKED COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c(F)c1 916141208 FMOGQWKLKPFIQN-VZUCSPMQSA-N 437.423 5.226 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(Cc3cccc(F)c3)CC2)cc1 916678883 CVDXRYKROQTLCU-SANMLTNESA-N 427.523 5.968 30 20 IKED Cn1c([C@@H](C#N)C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)nc2ccccc21 916843423 GLQBHBWTICQBBI-NRFANRHFSA-N 436.490 5.670 30 20 IKED C=CCOc1ccc(C(=O)c2ccccc2)c(OC(=O)CCc2nc3ccccc3o2)c1 916876809 SBHVQPRUDCHZIE-UHFFFAOYSA-N 427.456 5.162 30 20 IKED CC(C)(C)c1ccc(/C=C\C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 916888010 SHESFXOFPQKPTR-WYVHHVQNSA-N 428.504 5.660 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(-c2ccc(F)cc2)s1 916927336 HNJOWCSBHDNEPA-AWEZNQCLSA-N 433.291 5.822 30 20 IKED COc1ccc(/C=C\C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916996098 KAWNUQRLQVLOCE-ASRSSLEJSA-N 429.328 6.015 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=S)Nc3ccc(OC(F)F)cc3)cc2Cl)cc1 917599961 FHRXIQKYSBCRDY-UHFFFAOYSA-N 445.878 6.414 30 20 IKED N#Cc1cc(S(=O)(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)ccc1Cl 917873972 YAKHIMAXPYZACL-UHFFFAOYSA-N 443.859 5.155 30 20 IKED Cc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(C)c1 918472294 WFOQPWFWOPBKSH-CPJSRVTESA-N 425.532 5.117 30 20 IKED CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1ccc(OCC(F)(F)F)cc1 920482755 RBZFFGRMCJABQC-UHFFFAOYSA-N 428.336 5.426 30 20 IKED C[C@@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cccc2ccccc12 920524101 XQQGWUXZDZCWFZ-QGZVFWFLSA-N 441.487 5.480 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)/C=C\c4c[nH]c5ccccc45)CCC3)cc2)C1 1785806971 YLEUCENMBNQEBL-GHXNOFRVSA-N 425.532 5.281 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3c(C(C)C)nn4ccccc34)cc2)CCC1 1788397421 NYCGZAPJIIKARA-UHFFFAOYSA-N 442.563 5.009 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)cc2)CCC1 1789150538 AGGMLVVQIRCRAA-SFTDATJTSA-N 435.955 5.127 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C)nc3C)CCC2)cc1 1789458223 QVDYETVKGWAKDK-VWLOTQADSA-N 445.607 5.534 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCCCC4(F)F)CCC3)cc2)c1 1790255610 BKACLRAGUKEHKC-NRFANRHFSA-N 437.490 5.131 30 20 IKED C[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3)cc2)CCC1)c1cccs1 1790258253 XAUMYTYRQIHNOG-QGZVFWFLSA-N 429.545 5.171 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CCC2)cc1 1791589139 JVKINHBMGAQAAM-UHFFFAOYSA-N 439.515 5.752 30 20 IKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1-c1ccc(C)cc1 1800606135 IBPMAFQKDUKJAB-WKCHPHFGSA-N 438.518 5.125 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(Cl)cc1F 1803875154 DORCYFXXYLYICY-FZKCQIBNSA-N 439.358 5.153 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(Cl)cc1F 1803876194 LFTVAUFQHKABES-QDMKHBRRSA-N 441.374 5.377 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C23CCC(CC2)CC3)[C@@H]1c1cccnc1 1813558619 AAXNVMSFHQXEHI-CURCQILKSA-N 437.628 5.050 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ncsc23)n[nH]1 1819154131 RBSOEEYNCCJCNV-OXQOHEQNSA-N 449.580 5.094 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sccc2Cl)n[nH]1 1819954081 BYVQCDRCPITAGN-KRWDZBQOSA-N 432.977 5.199 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2Cl)n[nH]1 1820425857 OMNBZKPYIKCFDC-JXFKEZNVSA-N 426.948 5.137 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)[nH]n1 1821922387 IQMQWBXLBKFLJE-FZMZJTMJSA-N 441.384 5.296 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCC3CCCC3)[nH]n2)c1 1823211864 QGNIEALGPAQVOH-MBSDFSHPSA-N 447.583 5.313 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3cnccc23)CC1 1824142472 RQUFWAIUTSNNSX-AREMUKBSSA-N 445.607 5.237 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1 1824872641 KWTLMJUKHTVQTG-UXHICEINSA-N 428.539 5.107 30 20 IKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830493242 VKPFEHIIORSMPW-SANMLTNESA-N 444.575 5.126 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cc3ccccc3o2)CC1 1832028662 UHDRYBCGEWQSJS-LECGRMGRSA-N 446.591 5.259 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccccc2Cl)cc1 10826597 ASQHMEUDBIKCAR-UHFFFAOYSA-O 431.915 5.519 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(\S)Nc2ccc(OC(F)(F)F)cc2)c1 23604383 XNCBDWKYZJQTET-UHFFFAOYSA-O 448.490 5.177 30 20 IKED N#Cc1ccsc1NC(=O)CCN1CCC(c2nc3cc(Cl)ccc3s2)CC1 25034774 OCMIMYXSECHLEP-UHFFFAOYSA-N 430.986 5.091 30 20 IKED Cc1nc(-c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)cs1 26290086 FWXOCGBGHKKWEF-UHFFFAOYSA-N 427.554 6.394 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CSc2cc(C#N)ccn2)cs1 64653448 NIFNCKAMTBCTIH-UHFFFAOYSA-N 434.468 5.405 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc1 97151109 PCDZOVUFYVVQCM-QHCPKHFHSA-N 444.556 5.661 30 20 IKED COc1ccc(CN[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)cc1OCCCC#N 237551516 YJURKJVXNZLNAO-MUUNZHRXSA-N 442.559 5.582 30 20 IKED COc1ccc(C(=O)CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 303189894 MFCOVAQWTGANDJ-UHFFFAOYSA-N 448.906 5.401 30 20 IKED Cc1ccccc1-n1ncc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1C(F)(F)F 303347931 ZZUGRSJGJWZSDU-AWEZNQCLSA-N 444.482 5.704 30 20 IKED CCc1noc(-c2ccc(C)c(NC(=O)c3cccc(COc4ccccc4C#N)c3)c2)n1 430445639 ZQQLAOOUBQNYJZ-UHFFFAOYSA-N 438.487 5.310 30 20 IKED Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)c1ccc(F)c(C#N)c1 430734464 WBERPOZDTCTLNM-UHFFFAOYSA-N 430.458 5.995 30 20 IKED Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)N[C@H](CCCC#N)c1ccccc1 432764743 JQCVBZYATPIJCH-GBXCKJPGSA-N 432.568 5.566 30 20 IKED CCn1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(C(F)(F)F)n1 436125085 PDPPVEIQGUAWMJ-UHFFFAOYSA-N 434.805 5.491 30 20 IKED Cc1ccc(NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)cc1OCC1CCCCC1 437057486 BEOPBWIQIXUQJS-UHFFFAOYSA-N 449.551 5.214 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 437831349 AYKTZJJFMMHLJF-TUNNFDKTSA-N 439.943 5.201 30 20 IKED N#Cc1cc(NC(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)ccc1F 437990850 XVYXUAVUYZDULC-UHFFFAOYSA-N 430.361 5.225 30 20 IKED Cc1cc(Sc2ncccn2)ccc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 438131594 XSWPEHPFEVJOMN-IRLDBZIGSA-N 429.549 5.240 30 20 IKED N#Cc1cc(NC(=O)NCCc2cccnc2)ccc1Oc1ccc(C(F)(F)F)cc1 438547751 SYNXEFJKCDSIJV-UHFFFAOYSA-N 426.398 5.129 30 20 IKED CCOc1cc(Br)c(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1OCC 439312115 BMRHVXVGBDVPIR-KRWDZBQOSA-N 446.345 5.413 30 20 IKED C[C@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)Nc1ccccc1C(F)(F)F 439672615 LRXDDYQGPNYWSG-AWEZNQCLSA-N 443.400 5.948 30 20 IKED CCCc1c(NC(=O)N[C@@H](c2ccccc2)c2nccs2)cnn1-c1cccc(C#N)c1 439699814 ZJQSLBZIJIJKLY-QFIPXVFZSA-N 442.548 5.064 30 20 IKED N#CCCn1cc(C(=O)CN2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c2ccccc21 441056653 CFVDWPIMMIBSMP-HNNXBMFYSA-N 446.498 5.093 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(Cc1ccccc1)[C@@H](C)C(C)(C)C 441405948 LKPUKCZWOXRXQT-OALUTQOASA-N 437.609 5.340 30 20 IKED C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(-c2cccc(C#N)c2)cc1 444298724 YOFJWQJXEFJOBM-SFHVURJKSA-N 443.506 5.711 30 20 IKED CC(C)C[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)c1cccc(C(F)(F)F)c1 447125213 KFLVVOVVBSWESK-KRWDZBQOSA-N 437.849 5.073 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC=C(c2c(F)cccc2F)CC1 460809743 OFTPEENRPRTHDI-UHFFFAOYSA-N 436.506 5.143 30 20 IKED N#C[C@H](C(=O)c1cc(F)c(F)cc1C(=O)c1ccccc1)c1cc(C(F)(F)F)ccn1 464473587 SPEXYMMWGPPHKX-INIZCTEOSA-N 430.332 5.100 30 20 IKED N#Cc1cc(NC(=O)N2CC[C@@]3(CCOC3)C2)ccc1Oc1ccc(C(F)(F)F)cc1 465231006 CBRZWGCTBWVMQJ-OAQYLSRUSA-N 431.414 5.014 30 20 IKED CSC1(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCOCC1 466115716 BHRZORWEERDXTO-IBGZPJMESA-N 429.973 5.029 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3cccc(SCC#N)c3)C2)n1 470406371 CLOQDTPIZYFQBD-GOSISDBHSA-N 449.601 5.454 30 20 IKED Cc1cc(N(CCC#N)C(=O)CNc2ccc(C)c(NC(=O)C(C)(C)C)c2)ccc1Cl 470558246 DMYQKHZYCORBEM-UHFFFAOYSA-N 440.975 5.300 30 20 IKED Cc1oc(-c2ccccc2)c(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1C 470852177 MVMRTRSAZZKKLS-UHFFFAOYSA-N 427.504 5.399 30 20 IKED CC(C)c1oc([C@H]2CCCN2CCC(=O)Nc2ccccc2C#N)nc1-c1ccccc1 471174738 CAXDJXIOJRMPMG-JOCHJYFZSA-N 428.536 5.502 30 20 IKED Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)c1ccccc1Sc1ccccc1C#N 472832968 XMOVLAWNIGSKSY-IBGZPJMESA-N 438.556 6.076 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1 472839786 MOPBTXMATGKGRN-PZJWPPBQSA-N 447.926 5.571 30 20 IKED C=CCn1c(S[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)nnc1-c1ccoc1C 473412280 PDZAITCGJYPKEZ-QGZVFWFLSA-N 449.363 5.237 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)n1 474436095 USNWAEGBIJLRSH-OAHLLOKOSA-N 426.973 6.028 30 20 IKED Cn1cc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c(-c2ccc(Cl)s2)n1 475915789 MAJRWYBIEIUAKG-UHFFFAOYSA-N 425.926 5.049 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CSc1nnc(C)n1-c1cc(C)ccc1C 476124060 SFNFZZFVEQCYMP-UHFFFAOYSA-N 434.609 5.775 30 20 IKED N#CC1(NC(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)CCN(Cc2ccccc2)CC1 479209443 BTTOKFQOTNCZPO-UHFFFAOYSA-N 444.966 5.054 30 20 IKED C[C@@H](O)[C@](C)(CNC(=O)c1ccccc1Sc1ccccc1C#N)Cc1ccccc1 482192779 MHKUPKBKTBWJGS-BCHFMIIMSA-N 430.573 5.069 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc4ccccc4n3)s2)c(C(F)(F)F)c1 487319576 GXEGKZWRONKNAQ-UHFFFAOYSA-N 438.434 5.425 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)CCc3ncc(-c4ccccc4Cl)o3)s2)cc1 487417926 NNPUGMUYOJJDQN-UHFFFAOYSA-N 448.935 5.485 30 20 IKED N#CCCC[C@H](NC(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1)c1ccccc1 487566948 DHWYDURIEMHPBO-NRFANRHFSA-N 436.943 5.249 30 20 IKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C 487803455 IGICYKJJISBAPU-DEOSSOPVSA-N 427.504 5.161 30 20 IKED CC(C)C(=O)Nc1ccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 488014789 OANZKEGRFZEWJJ-UHFFFAOYSA-N 429.495 5.134 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)c1cnc(C(F)(F)F)nc1 488972336 FVXBCIZMKUEWQO-UHFFFAOYSA-N 431.308 5.124 30 20 IKED Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 489305559 KYOGMNPHXKUDKN-UHFFFAOYSA-N 438.896 5.098 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2nnc(/C=C/c3ccco3)s2)c1 490277003 UJLMWRVIBWOILW-ZHACJKMWSA-N 428.473 5.004 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2ccc(Oc3cccc(Br)c3)cc2)nc2ccccc21 492048200 VBHNEJMRNNUMMS-IBGZPJMESA-N 446.304 5.618 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1CN1CCCCCC1 497761840 SCOJINGDWAMOJA-FQEVSTJZSA-N 436.625 5.779 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccnc(N2CCCCC2)c1 501295750 UNMWTGDSUMSWGQ-UHFFFAOYSA-N 428.561 5.025 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(COCC3CC3)c2)cc1C 502522560 LSEJEMYJNFYSEZ-UHFFFAOYSA-N 428.536 5.260 30 20 IKED Cc1ccc(C(=O)N(C)c2ccccc2C#N)cc1NC(=O)c1ccc(Br)cc1 508077446 CFLZXMJBSZGTGI-UHFFFAOYSA-N 448.320 5.158 30 20 IKED N#C[C@H](C(=O)c1ccc(OCc2ccccc2)nc1)c1nc(-c2c(F)cccc2F)cs1 508207604 UKAYLJSLKKZPLH-QGZVFWFLSA-N 447.466 5.552 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2ncc(C)c(OC)c2C)cc1 508282687 VHUQAMUEJOYAFE-UHFFFAOYSA-N 446.507 5.044 30 20 IKED COc1ccc(NC(=O)c2cccc(C#N)c2C)cc1NC(=O)c1ccc(Cl)cc1F 509549989 UVTSXPGYKOKNPO-UHFFFAOYSA-N 437.858 5.172 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)cc1 510993851 DSLNNOSDESDKAU-FDDCHVKYSA-N 433.552 5.414 30 20 IKED N#Cc1c(NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)sc2c1CCCCC2 512140812 ZLNPRIMNDPSINB-UHFFFAOYSA-N 433.508 5.532 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1cc(F)c(C(F)(F)F)cc1F 512883572 PFRDUWABWZDLME-UHFFFAOYSA-N 430.421 5.049 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc4ccccc4s3)c12 513676382 DDXSSIPVARUNGZ-INIZCTEOSA-N 429.549 5.472 30 20 IKED CCOc1c(Br)cc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1OC 515321777 BKSHIBQCDXWSFS-UHFFFAOYSA-N 449.370 5.311 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 516387770 GFFQYHPXICYBIK-UHFFFAOYSA-N 427.529 5.451 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2noc(-c3cccs3)n2)c1 516679237 OOLFGDFWVRNRLE-UHFFFAOYSA-N 436.880 5.045 30 20 IKED COc1ccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c([N+](=O)[O-])c1 516838005 CKMMVWIAZADREB-MRXNPFEDSA-N 446.463 5.015 30 20 IKED COc1ccc([C@@H](CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)N2CCCC2)cc1 517530141 OGQMDKZDVDJKGH-PGRDOPGGSA-N 438.597 5.048 30 20 IKED N#CCCSc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 518120227 VTRAUYQONYOYFE-UHFFFAOYSA-N 425.517 5.192 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)cc1 518192808 DTAYCTZTXPBQGH-SXOMAYOGSA-N 432.523 6.227 30 20 IKED COc1ccc(C2(NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1 518314304 XNWVHPFORXIWAI-QFIPXVFZSA-N 431.923 5.815 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(COc4ccccc4)cc3)n2)cc1 518516581 LKBOLRSMMKLYAH-HSZRJFAPSA-N 435.508 5.751 30 20 IKED N#C[C@H](C(=O)c1ccc(SCc2ccccc2)cc1)c1nc(-c2ccncc2)cs1 518642064 OHKKFPICSQUIQG-OAQYLSRUSA-N 427.554 5.987 30 20 IKED CCc1cccc2c(C3CCN(C(=O)CCCCOc4cccc(C#N)c4)CC3)c[nH]c12 518924034 JUYNLCZVGMLKFQ-UHFFFAOYSA-N 429.564 5.557 30 20 IKED Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1ccccc1-c1ccccc1C#N 519985919 GWKCGUHJEQYXJV-IBGZPJMESA-N 437.543 5.658 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N(Cc3ccc(F)cc3F)C3CCCC3)cc2)nc1 521094174 RLYPLASMQOEMDH-UHFFFAOYSA-N 433.458 5.609 30 20 IKED COc1ccc2c(-c3ccccc3)c(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)oc2c1 521263960 RTMDIQILGJEVPB-GOSISDBHSA-N 436.389 6.012 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc(-c2ccncc2)cs1 521980922 FASUCHXNGMKTBM-QGZVFWFLSA-N 440.528 5.554 30 20 IKED CCc1c(C)sc(NC(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)c1C#N 524330368 IJTPYHJLANLJQE-CYBMUJFWSA-N 445.997 6.059 30 20 IKED C=CCN(C(=O)[C@H]1CCSc2ccccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 525118964 DNXWYUSQSPQIKU-SFHVURJKSA-N 437.546 5.517 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccccc3Oc3ccc(Cl)cc3)CC2)o1 526988022 IMYVWGPNCBPNSX-UHFFFAOYSA-N 436.899 5.156 30 20 IKED Cc1cccc2nc(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cn12 531586191 HITBXPNBZJGSQE-OAQYLSRUSA-N 429.911 5.273 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OC)c(-c4ccccn4)c3)n2)cc1 533667866 FHQAAGXXMZYQRI-HXUWFJFHSA-N 441.512 5.379 30 20 IKED CN(Cc1nccn1CC(F)(F)F)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 534874106 IKJHHYQWIWQBHE-UHFFFAOYSA-N 448.832 5.035 30 20 IKED C=C[C@H](CC(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C)c1ccccc1 536181795 WVUOALFPQQYZGX-ZBLYBZFDSA-N 447.600 5.272 30 20 IKED N#CCCn1cc(/C=C\c2nc(Cc3coc(-c4ccc(F)cc4)n3)no2)c2ccccc21 544996781 IPIMIWKDJWOWHL-FLIBITNWSA-N 439.450 5.493 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 554224085 VIWBTQVFAZYQMP-UHFFFAOYSA-N 430.459 5.062 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 558340813 PBXRZTMWVDOCRC-NBGIEHNGSA-N 434.609 5.211 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H]1c1cccc(Cl)c1 562021972 NPNUFCXUHWEDME-ZRBLBEILSA-N 434.971 5.704 30 20 IKED CCOC(=O)C(C)(C)c1csc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)n1 572275634 XHEGBSWJMRWCEF-UHFFFAOYSA-N 449.532 5.094 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3nc4ccccc4cc3Br)cc2)ccn1 574966099 IXCFHVLGNOZHCA-UHFFFAOYSA-N 445.276 5.309 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 579749992 RLHLWXICSSEERG-UHFFFAOYSA-N 448.449 5.143 30 20 IKED Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)s1 591206261 CBBGYSADRYPBPR-UHFFFAOYSA-N 446.528 5.671 30 20 IKED Cc1cccc(C(=O)Nc2ccccc2C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c1 592973288 BXKZRPMMSCRRKZ-SFHVURJKSA-N 429.476 5.486 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1nc2ccccc2n1C(F)F 603691283 MLJAYLNARLKWNA-CQSZACIVSA-N 448.433 5.373 30 20 IKED Cc1cccc([C@@H](CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)NC(N)=O)c1 603758982 QPDRMUFRWBBHBQ-FYYLOGMGSA-N 446.938 5.042 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2c(OC(F)F)cccc2[nH]1 604103486 UYKCCAXBFDEUHJ-UHFFFAOYSA-N 434.402 5.389 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)C2CC2)cc1Cl 604140278 YTRLJVKVBWRZLG-ISKFKSNPSA-N 443.934 5.201 30 20 IKED COC(=O)C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1cccs1 604361246 XVVPREWTKYIPQN-HXUWFJFHSA-N 435.505 5.146 30 20 IKED CC(C)(C)Cc1nc(-c2ccc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)cc2)no1 608552995 GYZGZPYWFOBXQQ-INIZCTEOSA-N 434.496 5.564 30 20 IKED CCOc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1OC 608785635 WXNQZPQLGLTLFW-UHFFFAOYSA-N 447.510 5.017 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCCc4cc(Br)ccc43)o2)cc1 609058399 PWAQFFFCGAPTEE-UHFFFAOYSA-N 437.293 5.086 30 20 IKED N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 609096752 NNLCBVMOWRZFHJ-NOZRDPDXSA-N 440.934 5.475 30 20 IKED COc1ccc(-c2cc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)sc2C)cc1 609185252 UKTCPAZTVVZPOY-UHFFFAOYSA-N 432.545 5.287 30 20 IKED N#Cc1ccc(CNC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)c(F)c1 609228672 FXJHTYTVLPUDPP-UHFFFAOYSA-N 433.433 5.373 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@@H](C)c1ccc(OC(F)F)cc1 609391078 MTMNMACOCUDFMK-GJZGRUSLSA-N 436.549 6.115 30 20 IKED N#CC1(C(=O)N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)CCCCC1 609446617 LCOONJKTGUGLRD-HSZRJFAPSA-N 436.600 5.176 30 20 IKED C[C@](C#N)(CCc1ccccc1)NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 609523711 IMVXAARNCITATM-JOCHJYFZSA-N 443.494 5.403 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N[C@H]3CCc4nc(-c5ccccc5)ncc4C3)c2)cc1 609988931 PROFHXHNMJWHGQ-VWLOTQADSA-N 445.526 5.046 30 20 IKED Cc1ccc2c(Cl)c(C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)sc2c1 611256961 DQEYLZWGJDGPHA-UHFFFAOYSA-N 425.941 5.250 30 20 IKED N#CCn1c(C(=O)N(c2ccccc2)c2ncccc2Br)cc2ccccc21 611359670 KMYSCWDQPSFYHH-UHFFFAOYSA-N 431.293 5.301 30 20 IKED C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 639939057 BEUBIWUPIRUOTE-SFHVURJKSA-N 444.560 5.067 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(CSc2ccccn2)c1 672653145 WQJOIFBWALDJJA-UHFFFAOYSA-N 435.597 5.762 30 20 IKED CC1CCN(c2ccc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cn2)CC1 680617223 IZLADCNBGZXSIG-MRXNPFEDSA-N 444.482 5.436 30 20 IKED CC(C)(CNC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(Cl)c1F 681095196 NHGKKNCDGLJAJZ-PHIMTYICSA-N 448.810 5.529 30 20 IKED Fc1ccccc1COc1ccc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cn1 681400508 PPDCAEBMYXPBIM-HOTGVXAUSA-N 436.371 5.362 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=S)NCCc2ccc(Cl)cc2Cl)cc1 726476390 XIWWDIJVCPFIQS-UHFFFAOYSA-N 448.419 5.337 30 20 IKED CC(=O)Nc1ccc(/C=C\c2nc(C)c(C(=O)/C=C/c3ccc(NC(C)=O)cc3)s2)cc1 726848638 SOYZQHPJIHHVQB-YVKOIJOCSA-N 445.544 5.435 30 20 IKED Sc1nnc(-c2cccc(Br)c2)n1N=Cc1cnc(-c2ccccc2)s1 727253681 LGLUZQKVJXBFCI-UHFFFAOYSA-N 442.367 5.002 30 20 IKED Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(C)n1-c1ccccn1 728193280 RCGSJYVVARLEDK-UHFFFAOYSA-N 440.478 5.331 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(c4cc5ccccc5[nH]4)CC3)cc2)c1 731400937 YPCMVMDJOAINBQ-UHFFFAOYSA-N 436.515 6.243 30 20 IKED COc1ccc(CNC(=O)[C@H](C#N)C(=O)c2sc3cc(C(C)C)ccc3c2Cl)cc1 732707968 ICYDXZUCOSZQMO-GOSISDBHSA-N 440.952 5.326 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)NCc2ccccc2Oc2ccccc2)ccc1OC 733644045 FPGZOTSXFDSWSG-OAQYLSRUSA-N 445.519 5.168 30 20 IKED FC(F)(F)c1cc(NN=C2CCCOc3ccc(Cl)cc32)nc(-c2ccccn2)n1 733747415 LORJUTWXDYYTGL-UHFFFAOYSA-N 433.821 5.200 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)c1 733842853 CALDJIVTLPWZKI-QFIPXVFZSA-N 442.519 5.250 30 20 IKED Cc1noc(CON=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)n1 733894906 JZUXMBKMWRSVGH-UHFFFAOYSA-N 429.476 5.087 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@H](c2ccccc2)C2CCOCC2)c1 735013518 JILGZNHFCHOUFY-RUZDIDTESA-N 446.934 5.902 30 20 IKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3ccc(Cl)cn3)c2C#N)C1 736858292 ZZZDRNHCMVOCLK-CYBMUJFWSA-N 445.972 5.005 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 739550723 KSWQJDPTCANVRL-GGAORHGYSA-N 449.551 5.078 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)cc1 740435763 UGHVDWZTQDWAAS-XZOQPEGZSA-N 444.510 5.716 30 20 IKED CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 744766353 OVOAMCYJQXVLFG-RUZDIDTESA-N 446.982 5.591 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C(C)(C)c1ccc2ccccc2c1 745415539 JNGOGOALJDGONS-GOSISDBHSA-N 446.572 5.694 30 20 IKED C=CC[C@@H](NC(=O)N(Cc1ccc(-c2ccccc2OC)cc1)C(C)C)c1ccncc1 745828349 SHNMVVKWHPTHCH-RUZDIDTESA-N 429.564 5.995 30 20 IKED CN(C(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1)c1ccc(C#N)cc1 749151466 UZKSKHLCFWNSPW-UHFFFAOYSA-N 442.700 5.438 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccc(N2CCOC2=O)cc1)c1ccc(C(F)(F)F)cc1 750311711 CWFHSNVONUXOPG-IBGZPJMESA-N 433.430 5.491 30 20 IKED Cc1nn(C)c2ncc(/C=C\C(=O)c3ccc(-c4ccccc4Br)s3)cc12 750903221 AKWBCVJYMRVRKC-FPLPWBNLSA-N 438.350 5.664 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC2CCC(N3CCCCC3)CC2)cc1 750993774 BAFFFSBWWYHFCF-UHFFFAOYSA-N 446.595 5.250 30 20 IKED C[C@@H](OC(=O)c1ccc(Cl)c(C#N)c1)C(=O)N1c2ccccc2Sc2ccccc21 754909141 QWGLHDPLMFIBNF-CQSZACIVSA-N 434.904 5.586 30 20 IKED CN(C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 758518309 PIWLHUHYAJWMCN-GGAORHGYSA-N 449.551 5.488 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](OC3CCOCC3)c3ccccc3)n2)cc1 759213401 MTQNBPORNLTNQX-XUZZJYLKSA-N 432.545 5.232 30 20 IKED Cc1nn(C)c(C)c1[C@H](OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(F)(F)F 760766420 SSRXFWQCJVUCKO-FQEVSTJZSA-N 447.388 5.300 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(Cl)ccc(Cl)c1Cl 761658540 DXMPXONERLAGLM-UHFFFAOYSA-N 445.733 6.658 30 20 IKED O=C1[C@@H](/N=C/c2c(O)ccc3ccccc23)CCCN1Cc1cccc(C(F)(F)F)c1 776726169 VHDCQJDIVBQQBN-PXGAOIJESA-N 426.438 5.174 30 20 IKED N#C[C@H](C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1nc2ccccc2o1 780319041 LDGSSLMQJKKGCZ-OAQYLSRUSA-N 436.446 5.239 30 20 IKED N#C[C@@H](C(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)c1nc2cc(Cl)ccc2s1 782581976 BPAGTDPXJPPGAD-IBGZPJMESA-N 445.931 5.223 30 20 IKED CC(C)COc1ncc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1Cl 783353128 PKMZNUKTOZXDFD-CYBMUJFWSA-N 440.714 5.038 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)Nc2cccc(SC(F)F)c2)cc1 784320475 ZENPUJBCNLOVAB-UHFFFAOYSA-N 439.443 5.242 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 785916254 FJBQBHNZACXLMG-HXUWFJFHSA-N 441.531 5.160 30 20 IKED O=C(OCc1ccc(F)cn1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 787729786 VCOXSZRPJFWOMR-NVAPZFPCSA-N 439.371 5.386 30 20 IKED N#CCCn1cc(/C=C/C(=O)c2ccc(OCC(F)(F)F)cc2)c(-c2ccccc2)n1 788355962 QLYHDRPIPXSDHN-FMIVXFBMSA-N 425.410 5.301 30 20 IKED N#CCCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccsc1 790758584 OENNNWJHFHAGKP-FQEVSTJZSA-N 448.573 5.165 30 20 IKED C[C@H](O)[C@@](C)(CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)Cc1ccccc1 792230107 UWPGUYSSRZGJFU-QOAWAWRESA-N 427.548 5.093 30 20 IKED N#CC[C@@H](CC(=O)OCc1ccnc(-c2ccc(Br)cc2)n1)c1ccccc1 795984301 XIRCFFFOIQMKGN-SFHVURJKSA-N 436.309 5.037 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12 796635330 LCLVURCFEMIQQI-OAQYLSRUSA-N 443.503 5.456 30 20 IKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)sc2ccc(C#N)cc12 796748758 WFTQFJXRXNUEKG-AWEZNQCLSA-N 428.300 5.349 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)c2ccc(C)cc2C)CC1 802579121 GLMDNLGYNDXNOK-UHFFFAOYSA-N 449.986 5.286 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2ccc([N+](=O)[O-])cc2C)cs1 807989922 QDGVQHSMURHRBR-UHFFFAOYSA-N 429.889 5.144 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3ccccc3NC(=O)c3ccccc3)cc2)ccn1 811613932 CSOOONMUXDXRBJ-UHFFFAOYSA-N 434.455 5.250 30 20 IKED CC[C@H](C#N)Oc1cc(CNc2ccc3ccc(Br)cc3n2)ccc1OC 811805339 JWITUYBVRLFZFY-QGZVFWFLSA-N 426.314 5.299 30 20 IKED CN(CCC#N)c1ccc(/C=C2\SC(=S)N(c3ccc(OC(F)F)cc3)C2=O)cc1 814280162 BCCYQQVYCOYUPQ-AQTBWJFISA-N 445.516 5.044 30 20 IKED N#Cc1cc(Cl)c(C(=O)NCCc2ccc(Br)cc2Cl)c(Cl)c1 819192498 KYCBASITUJUIPR-UHFFFAOYSA-N 432.532 5.253 30 20 IKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1nc2ccccc2s1 915099416 VERXUGSPRGOOCM-GHTZIAJQSA-N 439.540 5.178 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915180366 NVLJPJUYDYWCLQ-RUZDIDTESA-N 445.547 6.617 30 20 IKED Cc1nc(-c2ccc(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)s2)cs1 915352630 NCIZBEZKNROKEJ-NRFANRHFSA-N 444.585 6.157 30 20 IKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)cc1C 915798578 RDSYWSBGZQABTD-UHFFFAOYSA-N 442.544 5.546 30 20 IKED CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(OC)cc1 916214596 PFLGRUSDUNMNNJ-LJQANCHMSA-N 445.972 5.027 30 20 IKED N#C[C@H](C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 916844670 USEBTBIUBGDPRW-AUSIDOKSSA-N 431.948 5.915 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(Cc3ccc(F)cc3)nc2C)cc1 916915642 NBCWEACHSSEJKQ-OAQYLSRUSA-N 449.551 5.485 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 916925428 JUGZJXPHURTJKT-QXFGJRORSA-N 434.492 5.314 30 20 IKED N#C[C@@H](C(=O)CCCOc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl 916930986 IMYIPRGOUGUBIN-HNNXBMFYSA-N 425.699 5.153 30 20 IKED N#C[C@H](C(=O)c1ccc(Cn2cccn2)o1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996373 LPSQDXHYFKPDSW-OAHLLOKOSA-N 443.315 5.445 30 20 IKED COc1cc(/C=C\C(=O)c2cn(C)nc2C)ccc1OCc1cccc(C(F)(F)F)c1 917520193 HZFHDJFSSBWBAV-CLFYSBASSA-N 430.426 5.231 30 20 IKED Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)n1 1787326018 VZVQGCNNSGCUIK-GOSISDBHSA-N 438.531 5.079 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4ccccc34)CCC2)cc1 1789454280 UUSXMDOVSXTVQX-HXUWFJFHSA-N 428.536 5.079 30 20 IKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)CCC1 1790248872 OHWXXEUIZXRAES-MRXNPFEDSA-N 446.469 5.044 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C3CC3)cc2)[C@@H]1c1cccnc1 1802499135 FWOKVPFQOFUUDD-LOSJGSFVSA-N 445.607 5.271 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCCn2cccc2)n[nH]1 1819524365 KZKGWVOXCOVDND-OAQYLSRUSA-N 439.604 5.066 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C(C)=C/c2cccnc2)CC1 1823754878 FQNWMHQIANNCGW-IVEWOJHHSA-N 437.628 5.097 30 20 IKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(C)(C)C)s2)CC1 1827906623 PAEWRZIMZMBXRI-FQEVSTJZSA-N 428.642 5.082 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)n1 11208128 OGBBBTAHAFANHI-QMMMGPOBSA-N 435.258 5.102 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)c2c(Cl)cccc2Cl)n(C2CCCC2)c1C 12259808 OCCMBBYYJUTKIC-UHFFFAOYSA-N 434.323 5.194 30 20 IKED O=C(/C(=C(/S)Nc1cc(Cl)cc(Cl)c1)[n+]1ccccc1)c1ccc([N+](=O)[O-])cc1 15247901 MRAUXCDMQVIMPZ-UHFFFAOYSA-O 447.323 5.240 30 20 IKED COc1ccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc3c(c2)CCCC3)cc1 22731223 WHHFZWRAWLWCQP-UHFFFAOYSA-O 445.608 5.529 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2ccccc2)c(C)[nH]1 23603851 MCALQOXNGRKYLJ-UHFFFAOYSA-O 442.564 5.762 30 20 IKED CN1/C(=C\C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)C(C)(C)c2ccccc21 28799173 DXWCUJIBTUQEGX-HAHDFKILSA-N 444.604 5.177 30 20 IKED CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2ccccc2C#N)c2c[nH]c3ccccc23)cc1 28936632 MIMDXHRXCOZHHG-XOJXFWDVSA-N 434.543 5.067 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)C2CCCCC2)c1 36022503 MKZKAHWXZKHUIM-UHFFFAOYSA-N 447.000 5.126 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(CCN3CCCC3)cc2)cc1 64312635 ANFIGLXVAHHBGK-UHFFFAOYSA-N 441.600 5.741 30 20 IKED CC(C)c1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nn1C(C)(C)C 64715358 YPKKNNJLPLAFIG-ZDUSSCGKSA-N 428.508 5.653 30 20 IKED CC[C@H](C#N)Oc1cccc(CNCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)c1 236899953 GEYPKCRXFKEINO-JOCHJYFZSA-N 434.565 5.107 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 253598689 GADXFBDBXSIGQK-UHFFFAOYSA-N 445.872 5.002 30 20 IKED N#Cc1cc(NCc2cccc(NC(=O)c3ccc(F)cc3)c2)nc2ccc([N+](=O)[O-])cc12 301343796 GKRGMPLYZTZJEE-UHFFFAOYSA-N 441.422 5.018 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2coc(-c3ccc(F)cc3)n2)cc1Cl 303529181 GDXKHNRFWNFMSM-JOCHJYFZSA-N 445.881 5.971 30 20 IKED N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1cccc(Cl)c1Cl 303858010 LXCJHBCBLDOYQB-YDHLFZDLSA-N 429.225 5.377 30 20 IKED C=CCN(C(=O)c1csc(-c2ccc(C(C)C)cc2)n1)c1nc(C(=O)OCC)cs1 409818662 XLZVOINRYVWZSF-UHFFFAOYSA-N 441.578 5.400 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 429707231 YMSCAWRCAJECNB-NQIIRXRSSA-N 437.906 5.028 30 20 IKED Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)Nc2cccc(OCCCC#N)c2)n1 433623528 DIIZTGJMZHGQQY-UHFFFAOYSA-N 445.401 5.390 30 20 IKED N#Cc1ccnc(NC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 436029722 SRAHYLZDYUGRMB-UHFFFAOYSA-N 444.394 5.284 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 436329964 BWQSAPCMSPJWGI-RPVQJOFSSA-N 430.371 5.521 30 20 IKED Cc1ccc(CN(C(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C(C)C)s1 438699891 RFDIJOCVBDCNKT-UHFFFAOYSA-N 433.533 5.096 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC([C@@H]4CCCO4)CC3)cc2Cl)c1 439243903 FBGLJKJJGRFJLE-QFIPXVFZSA-N 439.943 5.214 30 20 IKED Cc1cc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1C1CC1 441791440 CTZGCXCRPGQKEG-HSZRJFAPSA-N 443.934 5.759 30 20 IKED N#CCCCn1cc(C(=O)Nc2cc(Br)cc(Cl)c2O)c2ccccc21 444313985 IHFCIKLCBRQHAF-UHFFFAOYSA-N 432.705 5.319 30 20 IKED C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]1c1ccc(C)s1 460949581 ZLIVTJMMXXYAKT-SFHVURJKSA-N 440.638 5.867 30 20 IKED N#Cc1cccc(-c2nnc(N3CCC[C@H]3c3ccccc3Cl)n2C[C@@H]2CCCCO2)c1 461833165 OKUYBKXSFGFQIL-REWPJTCUSA-N 447.970 5.381 30 20 IKED N#Cc1cccnc1-n1cc(NC(=O)N[C@@H](c2ccccc2)c2cccc3ccccc23)cn1 462082517 WYPIRVCGSHNULR-VWLOTQADSA-N 444.498 5.203 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccccc1NCc1ccc(Cl)cc1 462833893 KHJWUVDUVBHCJN-UHFFFAOYSA-N 435.959 5.250 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2coc(-c3ccccc3)n2)cc1 466063164 BADHZBSWADZNAI-UHFFFAOYSA-N 438.487 5.308 30 20 IKED N#CCSCCCSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 466622713 GYOSRMOIJDODGI-UHFFFAOYSA-N 435.405 5.980 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)N(CCC(F)(F)F)CC(F)(F)F 468516424 MNIUBYHNVQWPCV-UHFFFAOYSA-N 444.372 5.127 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)c2ccccc21 469549280 JEGLRJOWSSVZEG-UHFFFAOYSA-N 433.433 6.282 30 20 IKED CC1(C)[C@H](C(F)(F)F)CCN1C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 470529111 XIIMSPLATLHODJ-NEPJUHHUSA-N 434.327 5.264 30 20 IKED COc1ccc([C@@H](NCc2nnc(-c3cccc(C#N)c3)o2)c2ccccc2Cl)c(C)c1 471668599 RLSIEAUTROGURK-XMMPIXPASA-N 444.922 5.458 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 472901895 SLQGREXOGRZWEM-UHFFFAOYSA-N 432.499 5.361 30 20 IKED Cc1cc(S(=O)(=O)Nc2ccccc2COc2ccc(CC#N)cc2)sc1Cl 473398015 FCRNQQGIKALLEC-UHFFFAOYSA-N 432.954 5.156 30 20 IKED C[C@@H](NC(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc(C#N)cc1 473480845 PAIDGHQMQVZASX-OPAMFIHVSA-N 449.352 5.060 30 20 IKED COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Nc1cc(C#N)ccc1C)CC2 476794414 SYHGZWOIVCQCPW-RUZDIDTESA-N 427.504 5.064 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cc(-c3cccnc3)ccc2C)nnc1-c1ccco1 477574965 UUKMBBYGXHLKKB-UHFFFAOYSA-N 445.548 5.215 30 20 IKED C=C(C)[C@@H](NC(=O)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1)c1ccc(F)c(F)c1 477736292 CVBKMYBZHVXHHK-QVKFZJNVSA-N 429.442 5.452 30 20 IKED CC(C)CNC(=O)c1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1Cl 483346868 INDWCXBDHDCMQH-UHFFFAOYSA-N 447.922 5.642 30 20 IKED CC1CCN(C(=O)c2ccc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cc2)CC1 483416317 YTEQIFIFLRQUAE-UHFFFAOYSA-N 439.515 5.475 30 20 IKED N#C[C@H](C(=O)c1cnc(-c2ccsc2)s1)c1nc(-c2ccc(Cl)cc2)cs1 491977449 KVQYPEMIJZOFSU-CQSZACIVSA-N 427.963 6.139 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1 494036311 DLHHDYNPHBPDIP-UHFFFAOYSA-N 439.903 5.588 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1cncc(Br)c1)C1CC1 505386763 JJVNRKKZJNJJTC-OAQYLSRUSA-N 441.373 5.035 30 20 IKED CSc1nc(-c2ccco2)nc(C)c1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 505955241 UNNRVHOYWNCXPH-CQSZACIVSA-N 433.320 5.068 30 20 IKED COc1ccc([C@@H]2CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)C2)cc1 506661270 LDUQRMFEMKZEHN-HSZRJFAPSA-N 441.531 5.362 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 510662757 DXUWXXNQJKSPKW-HXUWFJFHSA-N 440.503 5.233 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 512530276 ZQSFUAAYTQGBKJ-UHFFFAOYSA-N 433.455 6.174 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1ncc(-c2ccc(F)cc2)o1 517447816 RJXLOYQWMCIXAU-AWEZNQCLSA-N 427.526 5.606 30 20 IKED COc1cc([C@@H](C)NC(=O)N[C@H](C)c2ccc(C#N)cc2)ccc1OCc1ccccc1 517970905 WAPROXZUXWJXCM-RTBURBONSA-N 429.520 5.267 30 20 IKED Cc1ccc(-c2nc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)sc2C)cc1 518375449 HYXPGVLQNWOGDF-UHFFFAOYSA-N 426.501 5.738 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ccc(Cl)s2)n1)c1nc(-c2ccncc2)cs1 518642821 NFNBZNJFSAGYQT-NSHDSACASA-N 428.951 5.534 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 518753736 ZSZFHEHWSFRRKR-KUHUBIRLSA-N 434.392 6.757 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)c2cc(-c3ccc(Cl)s3)on2)CC1 518954819 FOSWDYWEZGMKMH-UHFFFAOYSA-N 427.913 5.048 30 20 IKED C=C(C)COc1cc(CN[C@H](C)c2sc(-c3ccc(F)cc3)nc2C)ccc1OC 520214674 RTROEUAQBNTLPI-MRXNPFEDSA-N 426.557 6.072 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccccc3F)c2)cc1Cl 521885871 ZEVJOUDMBZTMBB-FQEVSTJZSA-N 430.870 5.573 30 20 IKED Cc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)Nc2ccn(CCC#N)n2)cc1 522735966 KTFHAIYHSMPSJP-DYTRJAOYSA-N 447.542 5.783 30 20 IKED CCOc1ccc(-c2csc(NC(=O)c3occc3COc3cccc(C#N)c3)n2)cc1 523274048 NAYBWRJUFDQMOI-UHFFFAOYSA-N 445.500 5.505 30 20 IKED Cn1cnnc1-c1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 523878404 PVRPZEPFOFVHEB-UHFFFAOYSA-N 429.867 5.052 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)Nc2ccc(OCC3CCOCC3)cc2)cc1 524076452 XNRSZXAOFPSPGW-UHFFFAOYSA-N 443.503 5.800 30 20 IKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3nncn3C(C)(C)C)c2C#N)C1 524243005 OALLAXUKVAJYAJ-CQSZACIVSA-N 445.658 5.238 30 20 IKED CCCN(C(=O)CSCc1ccc(C#N)cc1)[C@H](c1ccc(F)cc1)c1cccnc1 525662092 YDYNACMAAOHPJA-RUZDIDTESA-N 433.552 5.354 30 20 IKED N#CCC[C@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1Br)c1ccccc1 536083079 IBIOCCRIRSVHEA-HNNXBMFYSA-N 442.235 5.514 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(N3CCCC3=O)ccc2Cl)cc1 536329023 MVHBEVGYCHXSPX-UHFFFAOYSA-N 431.879 5.383 30 20 IKED C=CCC[C@H](N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C(F)(F)F)cc1 537947161 KUVYLQYWVUBTFH-KKSFZXQISA-N 440.531 5.314 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NCc1cccc(C#N)c1F 543499487 VSHAMKQCVVYOME-GFCCVEGCSA-N 430.346 5.743 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](C(F)(F)F)C1 543620857 RXPOCKGQYKFBSZ-CHWSQXEVSA-N 436.318 5.683 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CC=C(c3cccc(Br)c3)CC2)c1 545109023 WWXPUNNRTNFSRT-UHFFFAOYSA-N 439.353 5.186 30 20 IKED O=C(O)C[C@H](NCc1ccc(OCC(F)(F)F)c(F)c1)c1cccc(C(F)(F)F)c1 551420871 PEKVZHSDXAJMIY-HNNXBMFYSA-N 439.327 5.091 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4cc(C#N)ccc4NC4CC4)cc3)o2)c1 552238327 BCJNKIBDXMYKLD-UHFFFAOYSA-N 435.487 5.410 30 20 IKED N#Cc1ccccc1Cn1cccc1CNc1ccc(C(=O)N2CCc3ccccc32)cc1 556615554 ZIEWPDZXILAOQS-UHFFFAOYSA-N 432.527 5.223 30 20 IKED C=CCN(C(=O)c1cc2ccccc2nc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 557536012 ZPGHYJUQUXYNIK-UHFFFAOYSA-N 430.489 5.408 30 20 IKED C[C@@H](NC(=O)c1cc(C#N)ccc1Cl)c1nc(-c2ccc(Br)cc2)cs1 560578545 MLOWJKPKIWFICO-LLVKDONJSA-N 446.757 5.589 30 20 IKED CC1(c2ccccc2)CC(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 560917213 NMXRCFSHKVEAEN-UHFFFAOYSA-N 425.532 5.573 30 20 IKED C=CCN(C(=O)c1nc(C2CC2)oc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 572914546 UYEUSAIPMCGWKR-UHFFFAOYSA-N 434.348 6.124 30 20 IKED CC(C)(C)c1csc(NC(=O)C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)c1C#N 576772366 JGXBRVNNPUMJOP-QGZVFWFLSA-N 449.498 5.142 30 20 IKED CN1CCC[C@@H](CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@@H]1c1cccs1 576912448 XAHPXFVCRHBGGY-GAJHUEQPSA-N 447.564 5.012 30 20 IKED COc1ccccc1O[C@@H]1CCCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 579749350 SAIHCBZDENRBHV-QZTJIDSGSA-N 425.554 5.165 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1 603756505 XDMOCBITUXJVCA-GOSISDBHSA-N 429.520 5.758 30 20 IKED C[C@@H]1Sc2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cc2NC1=O 603758858 LKISTPJWIZFOBZ-LIRRHRJNSA-N 447.947 5.680 30 20 IKED N#Cc1cccc(COc2cccc(NS(=O)(=O)c3cc(Cl)sc3Cl)c2)c1 603975883 LREMTVWDDZXPAP-UHFFFAOYSA-N 439.345 5.306 30 20 IKED N#CCc1ccc(OCc2cccc(NS(=O)(=O)c3c(Cl)cccc3Cl)c2)cc1 603981389 XGSVJOOPFZZMOH-UHFFFAOYSA-N 447.343 5.439 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC(c2ccccc2F)CC1 605957467 ZJWGFHVKCXVBTN-FICVDOATSA-N 440.403 5.624 30 20 IKED C[C@H](CC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 606174882 UYACMZIPPDOCPV-LERXQTSPSA-N 449.357 6.225 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)c(Br)c1 608110353 RVPVUEZSGXLPEB-IUCAKERBSA-N 436.165 5.228 30 20 IKED N#C[C@@H](C(=O)c1cc(Oc2ccccc2)ccn1)c1nc2cc(C(F)(F)F)ccc2s1 608752482 RRNWKNIVZYBTLY-INIZCTEOSA-N 439.418 5.992 30 20 IKED CCc1c(C)sc(NC(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)c1C#N 609031761 VQLDDEMEODOEDP-UHFFFAOYSA-N 443.981 6.019 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCCc1nc(C(C)(C)C)no1 609060869 GGFKMFVPQNQHBF-UHFFFAOYSA-N 432.524 5.088 30 20 IKED CCOc1ccccc1CN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609078978 VCOVHSCTXIDJBT-UHFFFAOYSA-N 429.520 5.508 30 20 IKED C[C@@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 609387178 RKKDAMXAWDZJPG-QWHCGFSZSA-N 441.906 6.050 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl 609402904 HEEQEOFBRPUENB-HOTGVXAUSA-N 431.964 5.970 30 20 IKED CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccccc1S[C@H](C)CC#N 609427869 YWTFZHXJNHITKO-QRWLVFNGSA-N 429.973 5.127 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 609434935 DDZGFPDTZIXBKL-HZPDHXFCSA-N 430.524 5.007 30 20 IKED Cc1ccc2oc(CN(Cc3ccco3)C(=O)CCc3c(C)nc(O)c(C#N)c3C)cc2c1 610070654 SNEPNYQCXSSMHZ-UHFFFAOYSA-N 443.503 5.085 30 20 IKED C[C@H](NC(=O)Nc1ccnc(Oc2ccccc2Br)c1)c1cccc(C#N)c1 610328744 QFPWGUALTAJZKZ-AWEZNQCLSA-N 437.297 5.391 30 20 IKED C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 611556584 OCLCVZLBNOEHFB-APWZRJJASA-N 431.458 5.526 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cc(Cl)c2c(c1)OCCCO2 612186671 WRKSJUUHOWFNNT-UHFFFAOYSA-N 427.353 5.114 30 20 IKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)nc2ccccc21 614507749 RKYHAHIWJYFZIM-UHFFFAOYSA-N 434.590 5.964 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cc1 626587256 ILIPIMBFZZMVNZ-UHFFFAOYSA-N 426.929 5.332 30 20 IKED C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(OC(F)(F)F)cc1 674424068 GHAGZIDLUBQXPC-KPXOXKRLSA-N 438.290 5.028 30 20 IKED C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 679554793 DIJXBDDMTHRFOR-AAEUAGOBSA-N 430.364 5.298 30 20 IKED FC(F)(F)c1cc(-c2noc(-c3cnc(C(F)(F)F)nc3)n2)cc(C(F)(F)F)c1 685236077 UNDOHJOWAWKGFE-UHFFFAOYSA-N 428.214 5.250 30 20 IKED C(=NNc1ncnc2c1oc1ccccc12)c1cn(-c2ccccc2)nc1-c1ccncc1 725844234 MNPBVWRWVXWNHF-UHFFFAOYSA-N 431.459 5.070 30 20 IKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(F)ccc2F)cc1 726571523 WQXJEXKDARJZIX-UHFFFAOYSA-O 442.898 5.409 30 20 IKED CC[C@H](c1ccccc1)c1nnc(S[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)o1 727690397 AEHJVICMAGTJQW-GHTZIAJQSA-N 434.565 5.347 30 20 IKED C=CCOc1ccc(/C=C/C(=O)NCc2ccc(-c3csc(C)n3)s2)cc1OC 728215805 NRNNLZTYQLEVLY-UXBLZVDNSA-N 426.563 5.083 30 20 IKED COc1ccc2oc(C(C)=NNc3cc(C(F)(F)F)nc(-c4cccnc4)n3)c(C)c2c1 733080452 NXEHEWDANXPHRI-UHFFFAOYSA-N 441.413 5.457 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c2)c1 734318545 ZCJYVVCVWDKUAK-NDEPHWFRSA-N 443.506 6.045 30 20 IKED C=CC[C@@H](NC(=O)N1CCC[C@H]1c1cc(Br)ccc1OC)c1ccncc1 734684417 RKJKGMJBHOILKV-MOPGFXCFSA-N 430.346 5.017 30 20 IKED N#Cc1ccc(NC(=S)Nc2cccc(C[S@](=O)C3CCCCC3)c2)cc1Cl 734985432 DTRABBXDEHDYOM-NDEPHWFRSA-N 432.014 5.602 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1CN(CC)C(=O)OC(C)(C)C 737021843 MLEMRUIOXBIYND-UHFFFAOYSA-N 448.567 5.535 30 20 IKED C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 741058289 BHUFTUHYCYGFHF-WXVAWEFUSA-N 438.575 5.470 30 20 IKED COc1cc(/C=C2\Cc3cc(Cl)ccc3C2=O)c([N+](=O)[O-])cc1OCC(F)(F)F 742437716 PZPWZFABVIXBKZ-LFYBBSHMSA-N 427.762 5.020 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)Nc2cccc(OCCCC#N)c2)cc1 743109618 UORMILKNJRKFRS-QGZVFWFLSA-N 438.528 5.599 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)/C=C/c3ccc(-c4ccccc4Cl)s3)o2)cc1 744547276 OSNQUUGPADELMA-ZRDIBKRKSA-N 447.903 5.747 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)[C@@]3(Cc4ccc(Cl)cc4)C[C@H]4CC[C@H]3C4)o2)c1 745056592 FCBLICRTXXMDLC-SZUKKWSHSA-N 447.922 5.354 30 20 IKED O=C(C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(C2CC2)C1=O)Nc1ccccc1 745990735 ICXUYZADFMGNMY-KRWDZBQOSA-N 434.348 5.116 30 20 IKED C[C@H](OC(=O)c1ccccc1-c1ccccc1C#N)c1nnc(-c2cccc(Cl)c2)o1 746244786 ILNZIEWKLZOKHT-HNNXBMFYSA-N 429.863 5.847 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc(-c2ccc(C)cc2C)nc1C 746415995 JUFPPPBYPJXFPV-OAQYLSRUSA-N 445.588 5.821 30 20 IKED N#C[C@H](C(=O)CCCOc1ccccc1Cl)c1nc2cc(C(F)(F)F)ccc2s1 748010123 PJWIWGDROPPRDM-CYBMUJFWSA-N 438.858 6.004 30 20 IKED CC(=O)N[C@@H](C)CCc1ccc(-c2csc(NN=Cc3ccccc3Cl)n2)cc1 749262913 OJLLFWRBRQWNNK-HNNXBMFYSA-N 426.973 5.367 30 20 IKED CCn1nc(C)c(C(=O)/C=C\c2cccc(/C=C\C(=O)c3c(C)nn(CC)c3C)c2)c1C 750914562 XKYYLBJQSYXQBD-DZDAAMPGSA-N 430.552 5.145 30 20 IKED C[C@H](C[C@@H](O)c1cccs1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 752188798 MBYOOWASJBNNIM-MFMILTCTSA-N 439.968 5.691 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1ccc(F)c(F)c1)c1nc(-c2ccc(Cl)cc2)cs1 756232613 VCKYRAIPSBVHFF-HNNXBMFYSA-N 430.863 5.581 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1Br 757408556 IBCXJMMMDMRAKK-AWEZNQCLSA-N 426.097 5.026 30 20 IKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C)c(C)c2)=C(/O)c2ccc(C#N)cc2)cc1 762440482 YAKNTEIEIVKIDN-UHFFFAOYSA-O 428.581 5.738 30 20 IKED CCOc1ccccc1Oc1ccccc1C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl 764307881 WCTWIAVPOVMORT-UHFFFAOYSA-N 437.839 5.563 30 20 IKED Cc1cc(/C=C2\CC(O)(C(F)(F)F)C/C(=C\c3cc(C)c(O)c(C)c3)C2=O)cc(C)c1O 764432768 MOAJQPNYXSLLQQ-LQGKIZFRSA-N 446.465 5.455 30 20 IKED CCn1c(COc2ccc(C)cc2)nn(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1=S 765046340 BNJWMWALAKFPSB-GOTSBHOMSA-N 447.608 5.051 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(Br)cc1 766627313 KXUMOUBFIWCUJY-FZMZJTMJSA-N 447.304 5.831 30 20 IKED C[C@H](C#N)Oc1ccc(CN2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)cc1 769385301 VLVJIBTYHCUHPH-LJQANCHMSA-N 426.520 5.180 30 20 IKED N#C[C@H](C(=O)Cc1cccc2cccnc12)c1nc(-c2ccc(Cl)cc2Cl)cs1 772640522 MTFAUUZHNSHDJH-QGZVFWFLSA-N 438.339 6.084 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN(CC(C)C)[C@@H]2CCCc3cccnc32)c1=S 774611484 JHCFGHFETIATHX-JOCHJYFZSA-N 448.640 5.440 30 20 IKED COc1cc(CN[C@H](c2ccccc2)C2CCOCC2)ccc1OCc1cccc(C#N)c1 775442380 ZKWLVGJAAPJACZ-MUUNZHRXSA-N 442.559 5.403 30 20 IKED O=C1[C@H](/N=C/c2cc(Cl)cc(Cl)c2O)CCCN1Cc1cccc(C(F)(F)F)c1 776726337 WKAAABPVJALEKG-LQSMYXFLSA-N 445.268 5.328 30 20 IKED C[C@@H](NC(=O)N[C@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21)c1ccc(C#N)cc1 777460118 VHUURBJMLVZJRI-ZHRRBRCNSA-N 434.540 5.343 30 20 IKED COc1cc(C)c(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1C 783712172 CTKSKTMCCVUBBS-YFHOEESVSA-N 440.952 6.003 30 20 IKED COC(=O)CCc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 787328595 DPIHJYMRVMQMQA-UHFFFAOYSA-N 430.529 5.208 30 20 IKED O=C(OCc1cncc(F)c1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 795533708 JNTVFGGVFPGRPK-DSNUTCFNSA-N 439.371 5.386 30 20 IKED CC(C)(C(=O)[C@@H](C#N)c1nc2ccccc2s1)c1csc(-c2c(F)cccc2F)n1 796714434 OIXUSAJWOGBAPC-GFCCVEGCSA-N 439.512 5.852 30 20 IKED C[C@@H](OC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1ccccc1NC(=O)c1ccccc1 796921075 TWWIKDVKFUSHFL-QGZVFWFLSA-N 430.479 5.532 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)Cc2csc(COc3ccc(Cl)cc3)n2)s1 797571106 NURFDQXLALIHSZ-MRXNPFEDSA-N 445.997 5.548 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@H](O)c1ccccc1Cl 799993454 JXDCIBNDTUEQTA-SFHVURJKSA-N 436.364 5.176 30 20 IKED C#C[C@H](NC(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1ccc(Cl)cc1 810184848 CUXZEHKKCOMILO-QFIPXVFZSA-N 444.984 5.084 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)cc1 915179163 AQEREYUXPOJXNY-LJQANCHMSA-N 447.420 5.194 30 20 IKED FC(F)(F)COc1cccc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)c1 915945614 XATINFCPBLNAPZ-UHFFFAOYSA-N 442.466 5.134 30 20 IKED CCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccccc1C 916216211 RQVVXJKVDRJGDN-LJQANCHMSA-N 445.972 5.027 30 20 IKED Sc1nnc(-c2ccccc2Br)n1N=Cc1csc(-c2ccccc2)n1 916346369 XRTWQYXBYNSXKS-UHFFFAOYSA-N 442.367 5.002 30 20 IKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)sc2C)cc1 916916980 CYMIRNOCSAGWOR-JOCHJYFZSA-N 440.524 5.847 30 20 IKED Cc1cc(O[C@@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1Cl 916932181 RWJQQODEUSVSSB-FZMZJTMJSA-N 425.699 5.070 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCN(C(=O)Nc4ccccc4)CC3)n2)cc1 916972200 KTBWBVRITXWDNT-NRFANRHFSA-N 444.560 5.239 30 20 IKED COc1cccc(-c2nc(/C=C/C(=O)c3ccc(OCc4nccn4C)cc3)cs2)c1 917518029 QCPPFTXOAURXJM-DHZHZOJOSA-N 431.517 5.027 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(OC(C)C)cc2)cs1 917559411 IOUDJZUGWCUUHJ-JYRVWZFOSA-N 440.952 6.164 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCSc1ncnc2sc(C)c(C)c12 920103855 DZJVQEHTXNJYHZ-MRXNPFEDSA-N 448.573 5.172 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 920933867 ORBKQEFPOHSJBC-UHFFFAOYSA-N 430.464 5.546 30 20 IKED C#Cc1cccc(NC(=O)CNC(=O)c2oc3ccccc3c2CSc2cccs2)c1 921281165 OKPUKOQHRGYZLM-UHFFFAOYSA-N 446.553 5.136 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(F)F)no3)CCC2)cc1 1789451648 PVXSQUKBUCZAJR-QGZVFWFLSA-N 429.467 5.128 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4[nH]ncc34)CCC2)cc1 1789452078 YYFUOSXNJRZWQA-FQEVSTJZSA-N 428.536 5.079 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4nc(C)ccc4o3)CCC2)cc1 1791727846 CEAAHNAOWAALKP-UHFFFAOYSA-N 429.520 5.078 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](C)c2ccc(Cl)cc2)C3)c1 1803675804 KGVIAPHBYUKSPU-KBVHPQEJSA-N 449.982 5.023 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2c(C)cc(C)cc2C)[C@H]1c1cccnc1 1813787328 OXSNWKYANFNSNI-BFLUCZKCSA-N 445.607 5.095 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2csc(C)c2C)[nH]n1 1819304623 GUNQOIDYVUMZNX-YLJYHZDGSA-N 426.586 5.162 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)[nH]n1 1821920586 IUPFHDHSUNRGCH-KDOFPFPSSA-N 440.544 5.282 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[nH]n1 1821921516 SUCPHKVJTLWDKL-MBSDFSHPSA-N 445.567 5.231 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3sccn3c2)CC1 1827405789 CAAZYEVJNMCYOJ-OAQYLSRUSA-N 441.641 5.227 30 20 IKED Cc1cscc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1827807099 PHDPNAJFDXIFHT-KOSHJBKYSA-N 449.620 5.231 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc(Cl)ccc2F)CC1 1829066250 YFZXOJJTTXDENV-IBGZPJMESA-N 449.998 5.100 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1830994947 KFMODMBLSKBUGA-HTAPYJJXSA-N 442.003 5.267 30 20 IKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCCC(C)(C)C)CC1 1831577693 PZFXAZPGNJTSGC-JTHBVZDNSA-N 449.680 5.404 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cc(C)sc2C)=C(\S)Nc2ccc(OC(F)F)cc2)c1 10172890 OBNWFCIGPSUCRR-UHFFFAOYSA-O 447.552 5.613 30 20 IKED C=CCn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nnc1-c1ccccc1OC 22047423 NGVQJKNJFFPYEG-UHFFFAOYSA-N 439.928 5.135 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1C#N 27151297 VBTWDLZQJGHFOY-UHFFFAOYSA-N 431.546 5.181 30 20 IKED CN(CCCCNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1 65117870 FVVXQTZEOTUDFF-UHFFFAOYSA-N 429.589 5.497 30 20 IKED CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 72025269 KMFBOBJTDIFFQQ-SANMLTNESA-N 439.515 5.134 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 97256328 AOURESBLHONFBW-UHFFFAOYSA-N 448.548 5.353 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2cccc(CSc3ccccn3)c2)c1C#N 116580072 MGHMZOJRSNLCSW-UHFFFAOYSA-N 432.574 5.492 30 20 IKED N#C[C@@H](NC(=O)CCC(=O)c1ccc(Cl)cc1)c1ccc(OCc2ccccc2)cc1 303243330 KXUPOFGARRHUIP-HSZRJFAPSA-N 432.907 5.263 30 20 IKED N#Cc1ccc(NC(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)c(Cl)c1 430362350 WCNHEEKPWSMTHK-UHFFFAOYSA-N 435.270 5.834 30 20 IKED C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 434208671 UCFLOVZDFAJXLN-AFMDSPMNSA-N 441.531 5.188 30 20 IKED CCCN(C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1)[C@@H](C)c1cc2ccccc2o1 435473603 JODHKHFNPRYEKV-KRWDZBQOSA-N 433.508 5.030 30 20 IKED N#Cc1c(Cl)cccc1S(=O)(=O)Nc1cnccc1-c1ccc(C(F)(F)F)cc1 437307301 QEVAKYZDYIOUOS-UHFFFAOYSA-N 437.830 5.093 30 20 IKED COc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 437597431 BOBSOOSMWLCYPX-DHIUTWEWSA-N 427.504 5.791 30 20 IKED N#Cc1cc(NC(=O)N(C[C@@H]2CCOC2)C2CC2)ccc1Oc1ccc(C(F)(F)F)cc1 438556740 UPJWIYHBICBJMN-HNNXBMFYSA-N 445.441 5.402 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H](c2ccccc2)c2nccs2)cc1F 438671882 ZTIFFILMLRUBAH-JOCHJYFZSA-N 444.491 5.857 30 20 IKED CC(C)(C)c1ccccc1NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 439541524 MVGAHQCKGZYKHJ-UHFFFAOYSA-N 427.504 5.012 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)CC)c1)c1ccc(C(F)(F)F)cc1 442040038 DNFWLABFRSFSDN-LJQANCHMSA-N 432.442 5.060 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 460370599 QWIULMDATKLCNK-YGOYIFOWSA-N 432.568 5.305 30 20 IKED C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC(n2c(C)nc3ccccc32)CC1 460788094 UHRPZCVXDSZTAB-UHFFFAOYSA-N 442.567 5.029 30 20 IKED N#Cc1ccc(OCc2nnc(N3CCC[C@H]3c3ccccc3)n2Cc2cccs2)cc1 461314647 BGBXYOVCVMFAAB-QHCPKHFHSA-N 441.560 5.180 30 20 IKED COc1ccccc1-c1nc(CNc2ccc(Oc3ccccc3C#N)c(F)c2)cs1 463219046 BAZIKBFLCCYVQA-UHFFFAOYSA-N 431.492 6.234 30 20 IKED N#C[C@@H](C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1cc(C(F)(F)F)ccn1 464410440 WENIXACCCSOOSL-OAHLLOKOSA-N 443.406 5.650 30 20 IKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)c3ccccc3n2)cc1 464432017 XOFOGRVFMBTVBY-FQEVSTJZSA-N 447.416 5.814 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc(-c2ccccc2OC)cc1 466063933 ALSMXYFHVZZULQ-FQEVSTJZSA-N 430.548 5.830 30 20 IKED C=CCN(C(=O)[C@H](C)CCOc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 467100561 JSUKUTHEHUDISO-QGZVFWFLSA-N 437.521 5.343 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(F)c(OC)cc1F 468179241 LXXWHSWOVYNUOQ-UHFFFAOYSA-N 429.236 5.095 30 20 IKED Cc1nc(-c2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cc2)n[nH]1 468409968 AZTUCEMDILKIJB-OAQYLSRUSA-N 427.895 5.341 30 20 IKED C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 470541782 CNEONFAXVZCCPH-GAJHUEQPSA-N 434.515 5.024 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)C2)n1 471808443 GOCSKASXJMDBGF-NQIIRXRSSA-N 443.378 5.149 30 20 IKED N#CCC[C@@H](NC(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1)c1ccccc1 473735398 REJWPCJNLFYFRJ-GGAORHGYSA-N 431.515 5.497 30 20 IKED N#CCC[C@H](NC(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1)c1ccccc1 473735400 REJWPCJNLFYFRJ-JTHBVZDNSA-N 431.515 5.497 30 20 IKED N#Cc1c(NC(=O)CCN2CCCC[C@H]2c2nc3ccccc3o2)sc2c1CCCC2 474216754 WLHFJCFQUVAAME-IBGZPJMESA-N 434.565 5.196 30 20 IKED CC(C)c1cccc2c1CCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C2 474522531 UCHLWDKGSNZJBJ-UHFFFAOYSA-N 439.559 6.045 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1 474822720 ANTBQEGADGAPTA-UHFFFAOYSA-N 446.547 5.058 30 20 IKED C[C@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 482512366 QUFQPJFAWOFWQL-WMZHIEFXSA-N 430.552 5.275 30 20 IKED N#C[C@@H](C(=O)c1cc2sc(N3CCCC3)nc2s1)c1nc2ccccc2n1C(F)F 483487794 IASWKVXMLWQDOJ-NSHDSACASA-N 443.504 5.193 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc3c(ccc4ccccc43)[nH]2)cc1 490630023 MTWZSGHOSRHVSY-UHFFFAOYSA-N 431.495 6.218 30 20 IKED Cn1nc(-c2cccc(C(F)(F)F)c2)cc1NC(=O)N[C@H](CCC#N)c1ccccc1 492359085 VJOVORGUYMCZSI-GOSISDBHSA-N 427.430 5.272 30 20 IKED O=C(Nc1cccc(C#Cc2ccccc2)c1)c1ccccc1SCC(=O)N1CCCC1 498693553 HSQAWCBHUGGSPZ-UHFFFAOYSA-N 440.568 5.053 30 20 IKED C[C@H]1Cc2ccc(Br)cc2CN1C(=O)Nc1ccccc1SC[C@H](C)C#N 499894661 GPTDDCLACFJCIJ-CABCVRRESA-N 444.398 5.680 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCN1C(=O)CSc2ccccc21 500733919 QOPUTFSYDJESQO-UHFFFAOYSA-N 443.528 5.127 30 20 IKED Cc1noc(C)c1CSc1ncccc1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 501138984 ZBDQBFJEQZTTAK-UHFFFAOYSA-N 447.545 5.226 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)C(=O)N(C)Cc2cccc(C#N)c2)c(C(F)(F)F)c1 501449927 LSULJTGPULADHP-CQSZACIVSA-N 449.498 5.065 30 20 IKED CC(C)n1ncc2c(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)cc(C3CC3)nc21 505539112 FIWKKKLRRODWHM-GOSISDBHSA-N 428.323 5.191 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(=O)Nc1ccc(S[C@@H](C)CC)cc1C 507970775 JDGKMNIXTNSHGP-IBGZPJMESA-N 442.629 5.206 30 20 IKED C=CCn1c(SC[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)nnc1-c1ccccc1 508375199 HZEZBXNAVPAWOM-JXFKEZNVSA-N 429.973 5.015 30 20 IKED C=CCn1c(Cc2ccc3ccccc3c2)nnc1N(C)Cc1nc([C@@H](C)SCC)no1 508507394 HQGKNDDSOQDLQW-QGZVFWFLSA-N 448.596 5.042 30 20 IKED C=CCOc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)c1 509094590 BMYJSCLMYZPKHK-MRXNPFEDSA-N 433.335 5.049 30 20 IKED CC[C@@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(Cl)s1 510763687 NDLSDFJPWUFXNS-CQSZACIVSA-N 444.944 5.005 30 20 IKED Cc1cc(C)c2c(-c3ccccc3)nc(S[C@@H](C)C(=O)Nc3ccccc3C#N)n2n1 514651587 RWYGRRGQNZNGJF-KRWDZBQOSA-N 427.533 5.004 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)Nc3sc4c(c3C#N)CCCCCC4)c(C)c2c1 515449566 UIBJXFADHNLYEY-UHFFFAOYSA-N 434.561 6.107 30 20 IKED CCc1ccc([C@@H](C#N)NC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)cc1 516511468 UNHPMAYNXGUKJW-JOCHJYFZSA-N 447.535 5.114 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 517473820 VCULDESLXYWPBW-XLIONFOSSA-N 427.545 5.291 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1cccc(N2CCCC2=O)c1 517656086 OIEYTXADUGUPRG-IBGZPJMESA-N 439.515 5.163 30 20 IKED N#Cc1ccc(Oc2cccc(NCC(=O)N[C@H](c3ccccc3)c3cccs3)c2)cc1 517934534 XEFMRMCTKWSCOB-AREMUKBSSA-N 439.540 5.730 30 20 IKED C[C@@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1S(=O)(=O)CCCCC#N 518302863 OUUVPAGSELEODF-VQIMIIECSA-N 441.984 5.353 30 20 IKED Cc1nn(-c2ccccc2)c2sc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cc12 518642809 MCHVCPIYZWPHAS-GOSISDBHSA-N 441.541 5.404 30 20 IKED CCCC[C@@H](CC)COCc1cccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 519944599 JENIGJIGISWIIS-OAQYLSRUSA-N 449.599 5.040 30 20 IKED Cc1ccc(Nc2cccc(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)c2)nn1 522883478 DUOJOYHKEZVRJU-VWLOTQADSA-N 449.514 5.102 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1 523697154 IPHDVMQRLDWFAF-CTNGQTDRSA-N 443.469 5.197 30 20 IKED CC(C)(C)[C@@H]1CCCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1 523929278 QGVAWNVSVKCVQR-QGZVFWFLSA-N 429.615 5.382 30 20 IKED Cc1csc(-c2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2)n1 525327097 BPGGIRJNOBZIJP-GOSISDBHSA-N 435.961 6.386 30 20 IKED CC(C)(C)CC(=O)Nc1ccc(CC(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cc1 525558538 UJJBEZFKEUKRDO-UHFFFAOYSA-N 445.485 5.067 30 20 IKED C=C[C@H](CC(=O)Nc1cc(Br)ccc1Sc1nncn1C)c1ccccc1 534011660 FKSUATKAGXJWGS-CQSZACIVSA-N 443.370 5.027 30 20 IKED COc1ccccc1COc1cccc(NCC(=O)Nc2ccccc2SCC#N)c1C 536205032 SIJXXHYNBIRDJX-UHFFFAOYSA-N 447.560 5.249 30 20 IKED Cc1cc(Br)cc2c1CN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)CC2 538201947 PLBHISVWJOAEOL-HNNXBMFYSA-N 444.398 5.742 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 541969799 LIXKNIBSJMDIHD-HNAYVOBHSA-N 449.498 5.705 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@@H](C)c2nc(-c3ccccc3)cs2)n(C2CCCC2)c1C 543515598 CISALRYTQNAHTF-KRWDZBQOSA-N 447.608 5.505 30 20 IKED NC(=O)c1cccc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c1 543981299 NWQVHGWMWCCMJA-CQSZACIVSA-N 444.297 5.216 30 20 IKED C=CCN(C(=O)c1scnc1C1CCCC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 545337663 CSFYLRMTIBKPGI-UHFFFAOYSA-N 440.550 5.665 30 20 IKED N#C[C@H](C(=O)c1ncsc1C(F)(F)F)c1nc(-c2ccc(Cl)cc2Cl)cs1 549482101 LDALFQUTYQTWKF-SECBINFHSA-N 448.278 6.082 30 20 IKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 549530775 AQAJWALPEWUDLN-AWEZNQCLSA-N 433.562 5.440 30 20 IKED COc1ccc(CNc2ccc(C(=O)N3CCCCC3)c(Cl)c2)cc1OCCCC#N 551084797 GNFOREWNEHULIR-UHFFFAOYSA-N 441.959 5.269 30 20 IKED Cc1ccc([N+](=O)[O-])cc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 553711090 HSKOMCRXFLDRDG-HNNXBMFYSA-N 432.288 5.824 30 20 IKED CN1[C@H]2CC[C@H]1CC([C@@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1ccc(Cl)cc1)C2 554995302 XVGABPQNYDBQGJ-VIRINCGLSA-N 435.999 5.458 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@@H](CC(F)(F)F)c3ccc(F)cc3)cc2)ccn1 555005419 PORAWLFZJBHCGZ-FQEVSTJZSA-N 444.388 5.700 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 556028879 VZMUROXNJQFCCG-UHFFFAOYSA-N 438.384 5.138 30 20 IKED CN(Cc1nc2ccccc2s1)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 557358004 XPDRFOAJDCULSW-UHFFFAOYSA-N 438.984 5.086 30 20 IKED C=CCN(C(=O)c1ccc2c(C)cc(O)nc2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 557490802 SMXDADCHFQNLFX-UHFFFAOYSA-N 446.488 5.113 30 20 IKED Cc1ccc(OCc2cccc(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)c2)cn1 564383300 XGOSUGQJXORAEA-UHFFFAOYSA-N 436.471 5.280 30 20 IKED C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@H](CCCC#N)c1ccccc1 571229279 AJQQPSQTBQCPEL-HNAYVOBHSA-N 437.893 6.101 30 20 IKED C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 572590696 JLYKOVCZZNARNO-NRFANRHFSA-N 441.535 5.038 30 20 IKED N#CC1(CNC(=O)Nc2ncc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)s2)CC1 574019783 PJLRRPVCVHPSMB-UHFFFAOYSA-N 448.392 5.197 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)cc1 590567871 VMJYBLMTGGWARB-GOTSBHOMSA-N 439.584 5.059 30 20 IKED COc1ccc(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1[N+](=O)[O-] 603613826 YTFRINFSJYUVCD-XYUGOERHSA-N 437.521 5.018 30 20 IKED Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603673222 NLAMKCQXMXXKPP-OAQYLSRUSA-N 427.891 6.211 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1nc(-c2ccc(Cl)cc2)cs1 603836665 XSJHZODBEQUSRG-SFHVURJKSA-N 449.879 5.047 30 20 IKED N#C[C@H](C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1nc2cc(C(F)(F)F)ccc2s1 603846300 MBZLOLVGPMXREX-LLVKDONJSA-N 430.367 5.195 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3cc4ccccc4o3)cc2Cl)cc1 604142942 AMTKRTBINZNRCS-UHFFFAOYSA-N 445.862 5.005 30 20 IKED COc1ccc(CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@H](C)C2CC2)cc1 604455190 JJOMDQJVPYCUTE-QGZVFWFLSA-N 446.576 5.447 30 20 IKED CN(C(=O)c1cccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1)c1ccccc1 609163442 HBVVGGCHZRUODE-UHFFFAOYSA-N 448.482 5.274 30 20 IKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609209849 PTIDSWPGDBDATN-GJZUVCINSA-N 441.531 5.982 30 20 IKED COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 609281435 GSIASGHJUXKABB-QFIPXVFZSA-N 428.492 5.513 30 20 IKED COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609282189 JEMXRSLIWPWAOM-DEOSSOPVSA-N 427.504 6.118 30 20 IKED COc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(Cl)c1 609372208 FAKFAMRUHBUVRF-UHFFFAOYSA-N 427.287 5.705 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(-c2ccc(F)cc2)no1 609388657 AAJQNDVOAILUSX-OAHLLOKOSA-N 441.553 5.604 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(Cl)c2cccnc12 609388978 OWFMIMLQQSRNFZ-HNNXBMFYSA-N 442.009 6.012 30 20 IKED CCN(CC)C(=O)c1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 609723355 IYIKVFNGXIRFAL-UHFFFAOYSA-N 447.922 5.738 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)N(C)Cc2ccc(C#N)cc2)c1C 609810938 WPFRYKXFMCOFIX-UHFFFAOYSA-N 428.323 5.332 30 20 IKED CCOc1ccc(-n2c(S[C@@H](C)c3ccc(C#N)cc3)nnc2-c2cccnc2)cc1 609813503 FFMCHCHTBZJFGU-KRWDZBQOSA-N 427.533 5.453 30 20 IKED CC(C)(C)OC(=O)Cc1cccc(NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1 610318965 OXEUVQJDUNFMPI-UHFFFAOYSA-N 449.429 5.028 30 20 IKED N#Cc1cccc(COc2cccc(CNc3cccc(C(=O)N4CCCCC4)c3)c2)c1 610910256 IZZIUICQKAUZTE-UHFFFAOYSA-N 425.532 5.375 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H](C[C@@H]2CCOC2)C1 611357757 SZOBVKBRCWCRKX-GGAORHGYSA-N 433.552 5.116 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)s1 611802594 JMSUBEQZHPYNIT-UHFFFAOYSA-N 439.953 5.072 30 20 IKED O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1cc(C(F)(F)F)ccc1F 675436518 RAVNNVWBHOFCRQ-UHFFFAOYSA-N 434.311 5.464 30 20 IKED COC[C@@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 675739778 ZTXMKUJPBYKEBH-CBBWQLFWSA-N 437.346 5.892 30 20 IKED Cc1ccc2nc(-c3cccnc3)cc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c2c1 677564298 FRUBFQMAWBNMQZ-LJQANCHMSA-N 438.487 5.844 30 20 IKED O=C(NCC1(c2ccc(F)cc2Cl)CC1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 677965244 SSXRQBLHOJKXHO-GHMZBOCLSA-N 446.794 5.283 30 20 IKED CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 682425810 ZOQHCKCGRFXYJF-CHWSQXEVSA-N 435.330 5.473 30 20 IKED COc1cccc(NN=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)c1 725852951 AKXNUYBZNAGVQP-UHFFFAOYSA-N 436.471 5.100 30 20 IKED Brc1cc(C=Nn2cnnc2-c2ccccc2)ccc1OCc1ccccc1 725856600 LNYZVEVJNXUHIN-UHFFFAOYSA-N 433.309 5.169 30 20 IKED N#CCCCOc1cccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)c1 726801761 MSNHZMVPEYOVLN-CJLVFECKSA-N 430.554 5.928 30 20 IKED Cc1cc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)ccc1N1CCSCC1 728473584 QIBQWTDSZUARLN-UHFFFAOYSA-N 429.545 5.465 30 20 IKED N#CCOc1cccc(NC(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)c1 730172303 MMEVMUHYKXVTBT-OAQYLSRUSA-N 426.900 5.854 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)OCc2nccn2Cc2ccccc2)cc1 730376595 ZAJJNKIELJQHCH-UHFFFAOYSA-N 427.435 5.091 30 20 IKED Cc1ccc([C@H](NC(=O)NCc2ccc(OCC#N)cc2)c2ccc(F)cc2Cl)cc1 731043845 KJBSXFHYZYXKOC-QHCPKHFHSA-N 437.902 5.279 30 20 IKED CC(C)(C)n1cc(/C=C2\S/C(=N/C3CCCC3)NC2=O)c(-c2ccccc2Cl)n1 731156953 PWCPWKPOUQRJIX-PDGQHHTCSA-N 428.989 5.461 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 731333320 XXRHWSJSTKHJQI-XIKOKIGWSA-N 434.348 5.519 30 20 IKED C#CCN(C(=O)N[C@@H](C)c1cc(C)sc1C)[C@@H]1CCOc2ccc(Br)cc21 733337841 MXJPALLNSRRVJI-IFXJQAMLSA-N 447.398 5.357 30 20 IKED Cc1c(-c2ccccc2)oc2c(C(=O)OCc3ccc(OCC#N)cc3)cccc2c1=O 733376267 SMJXKNWCYFGMKH-UHFFFAOYSA-N 425.440 5.028 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)c1 733844485 ZQHZTGUUAQMHBI-HXUWFJFHSA-N 431.492 5.490 30 20 IKED CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=S)Nc2ccc(C#N)c(Cl)c2)C1 734097294 GHBLEJBQERTYRS-UHFFFAOYSA-N 442.972 5.314 30 20 IKED O=C(/C=C/c1csc(-c2ccc(Cl)cc2)n1)c1ccc(S(=O)(=O)C(F)F)cc1 735231928 DUKVZBZUBCBQBD-JXMROGBWSA-N 439.892 5.356 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H](CC)Cc2cccc(Br)c2)c1 735248761 FKUJIMQXAYZJKD-ICSRJNTNSA-N 429.358 5.015 30 20 IKED N#CCOc1ccc(Cl)cc1COC(=O)Cc1csc(-c2ccc(Cl)s2)n1 735348237 XTHWDMYKEQXXPR-UHFFFAOYSA-N 439.345 5.367 30 20 IKED N#C[C@H](C(=O)[C@@H]1CSc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 735770535 SDUPDLJVAWEASI-HUUCEWRRSA-N 431.369 6.183 30 20 IKED Cc1ccc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1NC(=O)c1ccco1 739591478 XQIBQUVQVYFNEX-UHFFFAOYSA-N 441.512 5.371 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)/C=C(/C)c2ccccc2C(F)(F)F)ccc1OC 741929196 KLGFMOOIBQDHLC-HKBKRHGFSA-N 432.442 5.115 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C[C@H](c2ccc(F)cc2)O1 743092967 IYJYCIVYEHDWTI-AYCKEJKLSA-N 429.495 5.475 30 20 IKED C=CCOc1ccccc1CNC(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 743230924 YRCKTTAKNAGVEM-QGZVFWFLSA-N 425.529 5.159 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)cc1 743447765 SMFGZWVOYOPVIY-OAHLLOKOSA-N 446.315 5.087 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(Cc2ccc(C#N)cc2)CC(C)C)c1=S 746055876 IRVMVNKMHSAEOM-UHFFFAOYSA-N 447.608 5.263 30 20 IKED CN(C(=O)NCc1cc(C#N)ccc1F)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 748963672 HVTKJWULJCXJCB-QFIPXVFZSA-N 425.866 5.421 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1ccc(Cl)c(Cl)c1 749101081 AJMFGWGKUXJHQW-UHFFFAOYSA-N 448.188 6.280 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(CON=C(c2ccccc2)C(F)(F)F)cs1 751962978 UILHHMJLFMYWEU-UHFFFAOYSA-N 433.455 5.619 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 754357066 DEEPBZLMTVCDRP-UHFFFAOYSA-N 429.473 5.171 30 20 IKED C#CCN(Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1)[C@H]1CCc2ccccc21 756485432 FQCXOABOBQWPQU-VWLOTQADSA-N 429.589 5.567 30 20 IKED C#CC[C@H](NC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1)c1ccccc1 757062696 SPZMYGNTFRLWNM-DEOSSOPVSA-N 438.531 5.163 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2cccc3c2N(C(=O)OC(C)(C)C)CC3)S1 757527360 PRVMIMLAOVRNKG-RGEXLXHISA-N 449.576 5.493 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCCCN3Cc3ccc(F)cc3)n2)cc1 760974986 UMXKTQWBBFSUMF-GMAHTHKFSA-N 449.551 5.189 30 20 IKED Cc1ccc[n+](/C(C(=S)Nc2cc(Cl)cc(Cl)c2)=C(/O)c2ccc(C#N)cc2)c1 762444635 AHXGFECNEIILFS-UHFFFAOYSA-O 441.363 5.784 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2cc(Cl)nc(Oc3ccc(Br)cc3)c2)n1 772548999 QFBURNLEMUKSHD-AWEZNQCLSA-N 448.729 5.545 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)O[C@H](C#N)Cc3ccc(F)cc3F)c12 774321724 RIFXGPLYSRCOTD-HNNXBMFYSA-N 437.402 5.005 30 20 IKED N#C[C@@H](COC(=O)c1ncsc1-c1ccccc1)Cc1cccc(Br)c1 774391874 UKHFXQXVHFERBU-HNNXBMFYSA-N 427.323 5.112 30 20 IKED C[C@@H](N[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1cccc(C#N)c1 775335213 GCBMGIKUBUZPFK-IVZQSRNASA-N 434.883 5.150 30 20 IKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1CCCC#N 784128588 PLPHACNYLZOSEY-QFIPXVFZSA-N 448.592 5.130 30 20 IKED O=C(CN[C@H](c1cccc(F)c1F)C(F)(F)F)Nc1ccccc1SC(F)F 784314305 FMRUSSOBJQGLOQ-OAHLLOKOSA-N 426.357 5.111 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3ccccc3n2CC(F)(F)F)cc1 786316982 UKLYGCGIHGJYPV-DNVCBOLYSA-N 441.453 5.678 30 20 IKED N#C[C@H](C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)C(=O)NCc1cccc(Cl)c1 786547878 YJVTWTDODQHSGD-HQQUCIOCSA-N 441.236 5.051 30 20 IKED C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)[C@@H](C#N)c1nccc2ccccc12 792103231 RKXRVOVYGKCTGG-WBMJQRKESA-N 429.701 5.294 30 20 IKED CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cccc(OCC#N)c1 797435474 SLCMHSWZNVBGGH-UHFFFAOYSA-N 430.291 5.756 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3ccc(-c4cccc5cccnc45)cc3)o2)c1 803897554 SVAJLPIAUGNHQR-UHFFFAOYSA-N 432.439 5.180 30 20 IKED N#CCSCCCOC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(O)cc1)CC2 805325653 ZWUFTDUCUUNVRT-VLGSPTGOSA-N 430.529 5.231 30 20 IKED C#C[C@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(Cl)cc1F 805775569 IDKGHGVAISWGJU-MAWWSGROSA-N 444.778 5.362 30 20 IKED CC(C)(CCC#N)CNC(=O)N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21 811917208 BLWJVUNUWCWQOB-SFHVURJKSA-N 444.576 5.265 30 20 IKED N#C[C@@H](C(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1)c1cc(C(F)(F)F)ccn1 813210886 APNZPRFFOSWRID-IIBYNOLFSA-N 448.416 6.088 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)O[C@@H](c2nc3ccccc3o2)C(F)(F)F)o1 816064202 BWJSNNSNZIKSTJ-IBGZPJMESA-N 442.349 5.332 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cccc2cccnc12 818226004 LFNWOWFXZBIMQB-UHFFFAOYSA-N 430.920 5.517 30 20 IKED Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 821634556 LSFPDWQMXCNBAJ-UHFFFAOYSA-N 441.105 5.313 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nc(COc2ccccc2)cs1 884001792 DNJFLNHTJCCIOO-UHFFFAOYSA-N 443.553 5.997 30 20 IKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915350163 KETRHXPPRNAYHS-UWJYYQICSA-N 426.545 6.177 30 20 IKED O=C1CCc2cc(C(=O)/C=C\c3cccc(NC(=O)c4ccccc4Cl)c3)ccc2N1 915993360 OFJQRCTYPPGIAE-WQLSENKSSA-N 430.891 5.373 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1 916135217 LBZVVSWDCUFEQO-OWBHPGMISA-N 435.907 5.652 30 20 IKED N#C[C@@H](C(=O)COc1cccc2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1 916909920 RJMSHGOJPCEJGT-QFIPXVFZSA-N 436.467 5.358 30 20 IKED N#CCCCOc1cccc(NC(=O)CCN2c3ccccc3Sc3ccccc32)c1 917728525 WKUKZSODMIFDHI-UHFFFAOYSA-N 429.545 6.001 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)Cn1c(C)c(Br)c2ccccc21 920104749 YXRRAWVYAZLVSZ-KRWDZBQOSA-N 448.320 5.094 30 20 IKED Cc1ccc(Oc2ccc(OCC(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cc2)cc1 920264983 GXXUMFBZZBFXCF-QFIPXVFZSA-N 441.512 5.561 30 20 IKED Cc1csc(SCc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cc2)n1 920265806 UHENBXGARJNIAR-GOSISDBHSA-N 448.598 5.752 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc(-c2ccccc2F)n1 920790121 ORGMHILZUDMKSY-CQSZACIVSA-N 447.463 5.225 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)Cc3csc(C)n3)CCC2)cc1 1785841000 WPHWWBFTJNHUDR-UHFFFAOYSA-N 425.598 5.121 30 20 IKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4ccccc34)CCC2)cc1 1786372028 SZBKSQBAZBTSDZ-IBGZPJMESA-N 428.532 5.179 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)no3)cc2)CCC1 1788368274 AXJMPWLWOQNARF-UHFFFAOYSA-N 447.922 5.156 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](CC)N(CC)CC)CCC2)cc1 1789448759 GIMHZOHLLPIQBT-XZOQPEGZSA-N 425.617 5.009 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)CCCCCCC(=O)OC(C)(C)C)cc2)CCC1 1790560274 GLBZFJDWMHGADC-UHFFFAOYSA-N 442.600 5.379 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CC[C@H](CC)CC2)n[nH]1 1822225059 XYAWLZRSONJDIY-XWUOBKMESA-N 426.605 5.387 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3ccoc3c2)CC1 1823753571 UDJRNCOBCRAXKZ-QHCPKHFHSA-N 436.596 5.659 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCn2cccc2)CC1 1829035184 MDJNOAKNWLBZEL-DEOSSOPVSA-N 441.660 5.271 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(OCC)c2)CC1 1830108670 JRQLFQMWVGZTEE-JWQCQUIFSA-N 438.612 5.087 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C)c2Cl)CC1 1831447867 XMLXWHXWCBRNSV-IBGZPJMESA-N 438.946 5.093 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)c1cc(Cl)c(Cl)c(Cl)c1)C2 1841320982 MGLABYVWCPPSNW-UHFFFAOYSA-N 441.786 5.232 30 20 IKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(O)c2)c1 10172525 LBWOTGIINPDOKM-UHFFFAOYSA-O 446.379 5.654 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(OC(F)F)cc2)c1 10172767 WHYCMJDMSKZZHV-UHFFFAOYSA-O 449.449 5.213 30 20 IKED C=CCn1c(SCc2nc3c(C)cccc3c(=O)[nH]2)nnc1-c1ccc(C(C)(C)C)cc1 16254340 DEJWKZLGGPGSLG-UHFFFAOYSA-N 445.592 5.266 30 20 IKED CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(-c2ccccc2C#N)cc1 23629726 QSJZRWBKCPJEHT-UHFFFAOYSA-N 438.358 5.993 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(SC)c(OC)c2)cc(Br)c1OC 60245364 XFFVTAKAJMMELO-SOFGYWHQSA-N 437.355 5.483 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(NC(=O)C4CCCCC4)CC3)cc2)cc1 62411957 HLSGYBVNDCWFNN-UHFFFAOYSA-N 446.551 5.043 30 20 IKED COc1ccc([N+](=O)[O-])c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 63235879 NOMGSOFVXNNZOJ-AWEZNQCLSA-N 448.287 5.524 30 20 IKED COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2cccc(Cl)c2)cc1OCCCC#N 64613178 RIBXKFNLCRDWGU-DEOSSOPVSA-N 447.922 5.802 30 20 IKED C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)Nc1ccccc1C(F)(F)F 72040923 LHTWJMFJQVJNQR-HNNXBMFYSA-N 425.410 5.808 30 20 IKED O=S(=O)(/N=C(\O)CCCOc1cccc(Cl)c1Cl)c1cccc2cnccc12 78554313 NLAODARTCJMDMB-UHFFFAOYSA-N 439.320 5.046 30 20 IKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(N2CCCC2)n(-c2ccc(C)cc2)c1=S 108224407 NEOYAFITLHCRNH-UHFFFAOYSA-N 446.624 5.053 30 20 IKED O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 207807963 PKJWLARUDJBWDB-FLIBITNWSA-N 441.270 6.050 30 20 IKED Cc1ccc2nc(-c3ccc(NC(=O)CSc4nnc(C)c(C)c4C#N)cc3)sc2c1 218938677 CDDYEPOCBNPEMX-UHFFFAOYSA-N 445.573 5.281 30 20 IKED Cc1ccc([C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)N2CCCC2)o1 303181903 XJATZKMJKAQAPB-HSZRJFAPSA-N 430.508 5.211 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)Nc3cc(C4CCCCCC4)[nH]n3)cc2)c1 426427286 CSRDDXZQJOGFGP-UHFFFAOYSA-N 443.507 5.089 30 20 IKED CCC[C@H](C)N(C(=O)c1cccc(SCC#N)c1)c1nc(C)c(C(=O)OCC)s1 430591608 OMOAKWDKBJGIRH-AWEZNQCLSA-N 431.583 5.079 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)c1C#N 432576902 XZXMGDIGVPJRJW-MRXNPFEDSA-N 447.589 5.125 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 432922464 NRHVCVUXRFTFBM-QHCPKHFHSA-N 446.938 6.149 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1cc(Br)ccc1-n1cccn1)c1ccccc1 433123024 XRROLVQZKRNLOF-GOSISDBHSA-N 438.329 5.191 30 20 IKED CC(C)Oc1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)ccc1C(N)=O 433956953 YPXCBSSZRXDXJL-UHFFFAOYSA-N 449.894 5.142 30 20 IKED CC(C)Oc1ccc(NC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1C#N 435569450 XOPUYNKFZALTMB-ZDUSSCGKSA-N 438.475 5.232 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 436361894 NWMZONIHHYGQEO-RTWAWAEBSA-N 447.535 5.360 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cc(Cl)ccc3O)c(Cl)c2)s1 436663201 DXRDTHIWIOQZLH-UHFFFAOYSA-N 432.288 5.137 30 20 IKED N#C[C@H](C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1cnc2ccccc2n1 442514044 HJKFIOVDZIADHS-INIZCTEOSA-N 426.457 5.179 30 20 IKED CC(=O)Nc1ccc(-c2csc(NC(=O)c3cn(CCCC#N)c4ccccc34)n2)cc1 444191704 YHAURCMLXHDLAM-UHFFFAOYSA-N 443.532 5.279 30 20 IKED Cc1nnc(-c2cccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)c2)n1C 448453378 XUUFPWOWCVFGQT-UHFFFAOYSA-N 439.544 5.207 30 20 IKED C[C@@H]1C[C@@H](c2ccccc2F)N(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)C1 461653359 BELAIZOJNUWPHS-JLGINSKQSA-N 445.542 5.112 30 20 IKED C=CCN(C(=O)CS[C@H](C)[C@@H](C)O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 463231722 OQIOQHLSYPXIGW-VXGBXAGGSA-N 431.410 5.138 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1c(F)cc(C(F)(F)F)cc1F 463585645 IMEJOGDDDQBFFW-UHFFFAOYSA-N 433.226 5.439 30 20 IKED C=CCC[C@H](NC(=O)C1CCC(NC(=O)C(C)(C)C)CC1)c1ccc(C(F)(F)F)cc1 469068616 QTEGWKYSJVVZGX-UUKMXZOPSA-N 438.534 5.550 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[C@@H](C)C(=O)c1cccc(F)c1 469174858 XAELUXJYDMYNNJ-GOSISDBHSA-N 432.470 5.587 30 20 IKED Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1 470240964 CCJVXGQDZJEBQG-UIOOFZCWSA-N 426.516 5.096 30 20 IKED CCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H]1CCN([C@@H](C)c2ccccc2)C1 473820923 DLOJFOMEYXUDGV-URVUXULASA-N 436.625 5.770 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(I)cc1Cl 476083472 CGFOYKHOZBVJJY-UHFFFAOYSA-N 439.724 6.049 30 20 IKED C=CCOc1ccccc1C(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 483239768 ABVSXZIUZXHYMM-GOSISDBHSA-N 432.495 5.063 30 20 IKED C[C@H](CC#N)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 484794997 FUSRQXXRDICAQA-BJYOTHFNSA-N 426.476 5.052 30 20 IKED CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n[nH]1 486231476 MVTCPMNBTKJYPV-KHYOSLBOSA-N 436.947 5.510 30 20 IKED N#CCCN(C(=O)c1ccc(Oc2ccc(F)cc2F)cc1)c1ccc2c(c1)OCCO2 486335403 ZCROUGNDUMPHNC-UHFFFAOYSA-N 436.414 5.089 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)o1 487418038 NXCJBYHQKRGHEY-UHFFFAOYSA-N 433.464 5.169 30 20 IKED Cc1c(C(=O)N[C@@H](CCCC#N)c2ccccc2)cnn1-c1cccc(C(F)(F)F)c1 487589335 CLHPFNWXXQWLSJ-NRFANRHFSA-N 426.442 5.365 30 20 IKED CCCc1c(NC(=O)c2scc(C)c2Br)cnn1-c1cccc(C#N)c1 489592747 CJKNGXPQKDAVCX-UHFFFAOYSA-N 429.343 5.081 30 20 IKED O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1ncoc1C1CC1 499049063 WHEFGJIBUVISPN-CYBMUJFWSA-N 446.269 5.623 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1coc(-c2ccc(F)cc2)n1 499562801 TZONFMZWGRXYKX-UHFFFAOYSA-N 447.279 5.140 30 20 IKED O=C(N1CCCC[C@@H]1C(F)F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 500665235 MQNSKLJGMVMIIO-XVOJTQONSA-N 447.410 5.755 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1ccc(OCc2ccccn2)cc1 501601844 BRGGCVIYTHQXKO-UHFFFAOYSA-N 449.510 5.814 30 20 IKED C[C@@H]1CCCN(CCCCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 502876889 PBUUJANQGRKTBQ-AUSIDOKSSA-N 439.003 5.629 30 20 IKED CC(C)(C)Cc1nc(-c2ccc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2)no1 503955899 NVRITPIGFMCAOI-UHFFFAOYSA-N 426.520 5.126 30 20 IKED CC[C@H](C)n1c(SCC(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1ccccc1 504321123 MFHNMMYMYMHVOH-FQEVSTJZSA-N 447.608 5.572 30 20 IKED CCN(C(=O)CSc1ccc(C#N)cc1)[C@H]1CCSc2ccc(Br)cc21 504616181 XPBGLFGPKRIUHV-SFHVURJKSA-N 447.423 5.498 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CSCc2ccc(C#N)cc2)cc1 505697621 KJVKQXNQGNUUCZ-UHFFFAOYSA-N 429.501 5.103 30 20 IKED CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=O)c1ccnc(C#N)c1 508229968 BNXSUTBPVVMWBM-QFIPXVFZSA-N 439.437 5.254 30 20 IKED C[C@@H](Oc1ccccc1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1ccccc1 512935824 MGSZQYIBDCOLGU-LJQANCHMSA-N 443.522 5.692 30 20 IKED Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc12 513681396 BDAJHJJOIDCYPY-QGZVFWFLSA-N 428.542 5.554 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1nc2ccccc2s1 513692363 MTUHWQMMIRUDOE-INIZCTEOSA-N 439.418 5.992 30 20 IKED C=CCN(CC=C)C(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1[C@@H](C)c1ccccc1 515487676 NDSRINLXGVLLMD-VQTJNVASSA-N 432.593 5.236 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 515542479 PDWFWDRYSDRZMF-OAHLLOKOSA-N 433.514 5.515 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](c1ccccc1)c1nccn1C 516227723 YDDWRGZVGSBTGC-DEOSSOPVSA-N 437.503 5.304 30 20 IKED COc1ccc(CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@@H](C)C2CC2)cc1 517653534 KAWXIOGUTWYULO-SFHVURJKSA-N 427.504 5.195 30 20 IKED CC(C)OC(=O)C[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1 518256540 ZFHTUNCOIHQGEO-FXAWDEMLSA-N 425.554 5.285 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 521208923 IOZFDFAMCBDLGD-UHFFFAOYSA-N 440.547 5.525 30 20 IKED Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 521839816 IGMPLJQLRVQPPO-UHFFFAOYSA-N 446.595 5.429 30 20 IKED C[C@@H](Oc1ccccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccccc1 522331352 BGGHXJARQLGNFE-LJQANCHMSA-N 435.483 6.138 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)c1 523880755 VNOPBDKTOZLICE-UHFFFAOYSA-N 426.259 5.009 30 20 IKED Cc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1NC(=O)NC(C)(C)C 524855171 KQWXYQJOWCLOTD-UHFFFAOYSA-N 447.564 5.086 30 20 IKED COC[C@@H](C)n1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1 525841170 YZVKHSMSEITNHK-CQSZACIVSA-N 425.876 5.052 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1cc2ccccc2s1 526958770 XRAHFMQMLKEOOP-MRXNPFEDSA-N 441.512 5.381 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)cc1C(C)C 535537824 IXRLSNAIRAOLIQ-UHFFFAOYSA-N 430.346 5.125 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(F)cc2OCC(F)F)cc1 537996318 QPIJADQBZQRKLW-UHFFFAOYSA-N 426.394 5.173 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 539745870 SPYXGSNQVDENSK-OAQYLSRUSA-N 439.563 5.411 30 20 IKED C=CCOc1c(Br)cc(CN(C)[C@H](C)c2sc(C)nc2C)cc1OC 539834398 ZXCXZSIWUNBULT-CYBMUJFWSA-N 425.392 5.289 30 20 IKED CCS[C@H](C)c1noc(CN(C)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 541159178 WIOHDDJWSZMYPS-DLBZAZTESA-N 449.580 5.325 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1nc(-c2ccccc2)cs1 543516725 YZELRMAAKSHJRC-DLBZAZTESA-N 436.606 5.494 30 20 IKED COc1ccc(CNc2ncc(Cc3ccc(F)cc3F)s2)cc1OCCCC#N 544677398 HPFYEQUIKGRGRD-UHFFFAOYSA-N 429.492 5.315 30 20 IKED CCC[C@@H](NC(=O)c1ccccc1)c1noc(/C=C/c2cn(CCC#N)c3ccccc23)n1 545780977 DFAISRPEHZWQSD-JXVRESAISA-N 439.519 5.380 30 20 IKED N#CCCCOc1cccc(NC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1 547532831 PSDVGNTVCACTTJ-QGZVFWFLSA-N 445.363 5.813 30 20 IKED CCOCCCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(C)(C#N)CC1 549786073 GGUQWRBZFHEDRR-FQEVSTJZSA-N 447.583 5.128 30 20 IKED C[C@@H](NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1ccccc1OC(F)F 552755021 ZBQWPIVPAABBRE-OAHLLOKOSA-N 447.913 5.297 30 20 IKED Cc1c([C@H](C)N[C@@H](CCCC#N)c2ccccc2)nnn1-c1cccc(Br)c1 559863975 MECKAIZIFBMCDS-KKSFZXQISA-N 438.373 5.424 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC([C@@H](F)c4ccccc4F)CC3)cc2)ccn1 570608169 TUWBRYBJFGWZRT-XMMPIXPASA-N 448.473 5.839 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3C[C@H](c4ccccc4)[C@H]4CCCC[C@H]43)CC2)c(F)c1 579150293 MKZGXYHSPCMELQ-VDKIKQQVSA-N 431.555 5.099 30 20 IKED N#Cc1cc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)nc2ccccc12 589045144 UVFJXRVCJLRLTQ-UHFFFAOYSA-N 438.434 5.430 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCOc1cccc(Cl)c1Cl 603756499 WXSBBOKYWPUIGX-UHFFFAOYSA-N 442.302 5.768 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c2)cc1 604690995 VQHRQRMNABQVFI-FQEVSTJZSA-N 443.915 5.890 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(Br)s1 609061927 KRQNGECDQYUKDY-UHFFFAOYSA-N 427.323 5.522 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(C2CC2)nn1-c1ccccc1 609370615 HZGYGXVRCQKYRL-INIZCTEOSA-N 449.605 5.270 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3nccnc3-c3nc4ccccc4s3)cc2)c1 609429476 CUDZEURSHMFXQI-UHFFFAOYSA-N 449.495 5.670 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1Cl 609515875 ONSWULUIXXHVGR-XMMPIXPASA-N 445.950 5.080 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCn2c3ccccc3c3ccccc32)c1C 610053444 BXSSCZZYZIMRRB-UHFFFAOYSA-N 433.515 5.498 30 20 IKED CCN(C(=O)Cc1ccc(NC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1)c1ccccc1 610321985 JKIRIYWXLGGTQP-IBGZPJMESA-N 426.520 5.037 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1 611362978 OKUFWWGEHNCPAD-ROUUACIJSA-N 441.375 5.107 30 20 IKED Cc1ccc(-n2ncc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)c2C2CC2)cc1Cl 613292301 GMQKAMIJMQYUBS-IBGZPJMESA-N 426.907 5.750 30 20 IKED COc1ccccc1OCc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)o1 613317970 AVLSHZOWUSKACP-IBGZPJMESA-N 444.512 5.789 30 20 IKED Cc1onc(-c2ccccc2Cl)c1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 613407307 QBXXRDVPNVPGGO-CYBMUJFWSA-N 428.300 6.057 30 20 IKED CC(C)[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccnn1C 615974309 GTTJFVRYUSTNBP-NHCUHLMSSA-N 435.959 5.290 30 20 IKED O=C(Nc1ccc(CCC(F)(F)F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 674679476 DSFJNGAUVASNJS-VXGBXAGGSA-N 436.318 5.776 30 20 IKED O=C(Nc1cc(F)ccc1OC(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 675374362 VRBJWMCUKUNWFS-MBTKJCJQSA-N 438.290 5.458 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(Br)cc1)c1c(F)c(F)cc(F)c1F 680415184 WKXBWHGQQXNSHX-LLVKDONJSA-N 444.144 5.429 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(F)c(C(F)(F)F)c(F)c1 683187361 UTLDYDBZCXSMIG-YUMQZZPRSA-N 443.256 5.623 30 20 IKED COc1cc(/C=C/C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)ccc1OCC(=O)O 727654358 LPEJRKAQURYAOU-YCRREMRBSA-N 443.908 5.140 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 728390040 DWQPNBVFYGLIOG-PKTZIBPZSA-N 425.488 5.440 30 20 IKED Cc1ncccc1/C=C1\CN(Cc2ccc(Cl)cc2)C/C(=C\c2cccnc2C)C1=O 728787559 OOLHLGHTLHWGDX-RNIAWFEPSA-N 429.951 5.299 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(F)c(Cl)nc1Cl 728826230 VICHLWQIQPNUMV-UHFFFAOYSA-N 430.266 5.539 30 20 IKED CCOc1cc(/C=C2\Cc3c(ccc(Cl)c3Cl)C2=O)ccc1O[C@@H](C)C(=O)N(C)C 729149740 FWUBTLHHTOEUBU-LERPTODRSA-N 448.346 5.070 30 20 IKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(C3CCC3)C2=O)cc1 730460345 YPVRVSHLCIOUMX-OAQYLSRUSA-N 449.576 5.019 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Oc1c(Cl)cc(C#N)cc1OCC)O[C@@H](C)C2 730469605 IRQWNKAKOMNJHB-QANKJYHBSA-N 441.911 5.042 30 20 IKED Cc1nc2ccccc2c(C)c1C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 731063364 MRULOAZFIFNMOS-HNNXBMFYSA-N 433.533 5.041 30 20 IKED Cc1cc(/C=C/C(=O)c2ccc(OCc3nccn3C)cc2)ccc1Oc1cccnc1 732714676 WUBOVZOPYBKUSJ-VZUCSPMQSA-N 425.488 5.391 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)ccc1OC 733656956 RCODSMKZZSUONX-NFBKMPQASA-N 446.551 5.294 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)c1 733770176 DWKSQVKAZSTFRU-LJQANCHMSA-N 443.528 5.681 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Nc3cccc(N4CCCCC4=O)c3)c2)s1 740434216 BFBFWBHRHHMDAA-UHFFFAOYSA-N 430.533 5.125 30 20 IKED CC(=O)N(c1nc(/C=C2\CCc3cc(C#N)ccc3C2=O)cs1)c1ccc(F)cc1F 742436838 FZHZILQPILWVNA-CXUHLZMHSA-N 435.455 5.190 30 20 IKED COc1cc(C=NNc2cccc(F)c2F)ccc1OCC(=O)Nc1ccccc1Cl 743442739 DXXYIYXGUCVPSE-UHFFFAOYSA-N 445.853 5.090 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C(/C)c2ccccc2C(F)(F)F)cc1Cl 744033942 ZCTJAKZHMYUCHX-HMVFGEFZSA-N 436.817 5.118 30 20 IKED CC/C(=C\C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(Cl)c1 745757727 IIYYKLZLPLSFGH-WLSWZUKCSA-N 442.968 5.567 30 20 IKED CC(=O)c1cccc(OCCCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 747020668 DNYINDSRRDHXDX-QGZVFWFLSA-N 446.450 5.553 30 20 IKED COc1ccccc1-c1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cs1 747021169 KWRRIVUMXSPXPN-CYBMUJFWSA-N 446.315 5.087 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CSCc1cc(-c2cccs2)on1 747112174 WIUGYOMGSMCIKT-INIZCTEOSA-N 435.530 5.018 30 20 IKED CCn1c(SCC(=O)[C@@H](C#N)c2nc(C(C)C)cs2)nnc1-c1ccc(Cl)cc1 747196947 QUEPAGVOAWNMGV-OAHLLOKOSA-N 446.001 5.167 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 750842251 HCFWKMOCEBUIGU-UHFFFAOYSA-N 438.443 5.175 30 20 IKED Fc1ccc(Cl)cc1C=Nn1c(S)nnc1COc1c(Cl)cccc1Cl 753694009 AUXVRJATBNXJIL-UHFFFAOYSA-N 431.707 5.127 30 20 IKED C[C@H](C[C@@H](O)c1ccccc1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 758570337 YXESSFYAHZTOKL-CUHUQNRHSA-N 433.939 5.629 30 20 IKED C/C(=C\c1cccc(Cl)c1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 759208372 XEGBVWAOCJCPOM-PVGBUVFQSA-N 430.891 5.883 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 760797655 RMMFJICVZPFEOU-UHFFFAOYSA-N 429.687 6.155 30 20 IKED N#CCc1ccccc1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 761092401 GYEWJSRMIVWHFA-KRWDZBQOSA-N 426.328 5.602 30 20 IKED O=C(/C=C\c1cc(Cl)ccc1OC[C@H]1CCCO1)c1cc(Br)ncc1F 762422870 BBYRTLASBHFCQU-PKXJPQMGSA-N 440.696 5.091 30 20 IKED Cc1cc(Cl)c2ccccc2c1NC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 765351554 VMFPPMQGQRXPAA-UHFFFAOYSA-N 434.927 5.278 30 20 IKED C#CCCCSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1ccc(Cl)c(OC)c1 766277672 VLCHPIMUUORRDM-XSFVSMFZSA-N 440.952 5.248 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3C[C@H](O)c3ccc(F)cc3)cn2)c1 773260399 FOOJCDGCOXXVBH-GGAORHGYSA-N 446.482 5.005 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H]3C[C@H](O)c3ccc(F)cc3)c2)cc1 773268548 HAHLUSPIYFHENP-RDGATRHJSA-N 445.494 5.610 30 20 IKED C[C@H](N[C@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1)c1ccc(OCC#N)cc1 776171646 ONTPLLKBOAXBKW-UQBPGWFLSA-N 445.563 5.659 30 20 IKED Cc1cc(-c2cc(C(=O)OC[C@H](C#N)Cc3cccs3)c3cnn(C(C)C)c3n2)c(C)o1 777339685 NHTICXFKHPBTQD-KRWDZBQOSA-N 448.548 5.490 30 20 IKED CC(C)n1ncc2c(C(=O)OC[C@@H](C#N)Cc3cccs3)cc(-c3cccs3)nc21 777340294 SQGKEABRZVMWBK-OAHLLOKOSA-N 436.562 5.341 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2 780161063 TZGWXNCIKPPYFS-PQMNFKMDSA-N 435.483 5.858 30 20 IKED O=C1O[C@@H](CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CC12CCC2 792278644 FDRYCXVPUBXNMX-CHWSQXEVSA-N 449.313 5.403 30 20 IKED Cc1ccc(C)c(NC(=O)[C@H](OC(=O)C[C@H](CC#N)c2ccccc2)c2ccccc2)c1 795982686 RPEBJIISUYYTBJ-JYFHCDHNSA-N 426.516 5.614 30 20 IKED Cn1c([C@H](C#N)C(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)nc2ccccc21 796708998 WKDIAMBAQYAUFF-CYBMUJFWSA-N 436.487 5.129 30 20 IKED N#CC1(CCCOC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)CCOCC1 800133285 WQOBVHYTVBBZAB-UHFFFAOYSA-N 431.863 5.831 30 20 IKED Cc1ccccc1[C@@H](O)C1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 804515548 DMAGCTFPUOJDEV-MHZLTWQESA-N 440.543 5.439 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 806451665 KENVWIWFDFPPAL-SANMLTNESA-N 441.616 5.793 30 20 IKED CC(C)(CCC#N)CNC(=O)N[C@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 807036618 KDGYRXJSNVVTTR-OAQYLSRUSA-N 438.572 5.035 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](Cc2ccccc2)c2ccc(OC)cc2)c1 811880113 ISZJVVSHIGQIRY-BVAGGSTKSA-N 443.547 5.159 30 20 IKED COc1cc(C#N)ccc1OC(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C 822024820 ITLQNTPQCJFVFZ-UHFFFAOYSA-N 426.476 5.087 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1cccc(Cl)c1)[n+]1ccc(Cc2ccccc2)cc1 839407350 DGTVHMYJJDZEPN-UHFFFAOYSA-O 436.000 5.595 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)cc1 915293431 MKNXUAQNNSCNNA-HSZRJFAPSA-N 440.478 5.493 30 20 IKED CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(OCC#N)c1)c1ccc(C2CCCCC2)cc1 915742848 CDIMRMGTPDXMLX-XMMPIXPASA-N 433.552 5.089 30 20 IKED C=CCOc1ccc(/C=C(/Cl)c2nc(=O)c3ccc(C(F)(F)F)cc3[nH]2)cc1OC 916127915 NYOMKXMZOQQVHM-OQLLNIDSSA-N 436.817 5.252 30 20 IKED COc1cc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc(OC)c1OC 916137813 AYUDCMUMPTVSOD-YVMONPNESA-N 443.839 5.430 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cccc(OCc2csc(C)n2)c1 916902115 CCCXTHZBIVDXIM-QFIPXVFZSA-N 447.560 5.117 30 20 IKED Cc1cc(Cl)ccc1O[C@@H](C)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916927862 PNLBFRLFTGWILO-FZMZJTMJSA-N 425.699 5.070 30 20 IKED N#C[C@H](C(=O)CCCCc1nc2ccccc2s1)C(=O)Nc1ccc(F)c(Cl)c1 916936746 UVBONGNWVWNRNX-CQSZACIVSA-N 429.904 5.149 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)cc1 916953702 UPZQFMQXZOWHDR-KRWDZBQOSA-N 445.327 5.692 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCCc3nc4ccccc4s3)n2)cc1 916973453 XTNHSDYXAJFVOQ-GOSISDBHSA-N 431.586 6.318 30 20 IKED Cc1cc(-n2c(C)cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2C)no1 916977645 VIWXJYVOUWYMJG-SFHVURJKSA-N 436.924 5.658 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2(c3cccc(Cl)c3)CCOCC2)cc1 919714268 YKCZJEFFMRLVCK-XMMPIXPASA-N 430.935 5.682 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H](c3ccccc3)C(C)C)cc2)CCC1 1786184015 LYGAQWROYWCILB-GBXCKJPGSA-N 449.595 5.361 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(C)=O)cc3)CCC2)cc1 1789454812 DZKRVSBCUGRPLS-DEOSSOPVSA-N 445.563 5.161 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(Cl)cc3)CCC2)cc1)C(F)(F)F 1791301916 FGDNYPXGWIAIET-UHFFFAOYSA-N 436.861 5.135 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4ccccc4n3C)CCC2)cc1 1791727361 HNWTXTVPESQIHS-UHFFFAOYSA-N 427.548 5.120 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCCSC4)cc3)CCC2)c1 1792287258 OYXBQWCFSHGWOT-RXVVDRJESA-N 447.604 5.205 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C)c(C)c2)[C@H]1c1cccnc1 1802496398 QJEFDGFSHAJSSF-ZEQRLZLVSA-N 433.596 5.010 30 20 IKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)Cc3c(F)cccc3Cl)C2)CC1 1805210680 OVJPFUPWMTXEHT-UHFFFAOYSA-N 446.994 5.021 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)[C@H](C)Sc3ccccc3)C2)CC1 1805855046 HNTNHRDUQVUACV-GMAHTHKFSA-N 440.653 5.167 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3[nH]c(C)cc3c2)[nH]n1 1819555856 FVYPKXOSXKQKRM-QFIPXVFZSA-N 447.583 5.498 30 20 IKED CC(C)(C)c1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CC#N)[nH]n2)cc(C(C)(C)C)c1 1821192163 AJSZBYWPDCKBFX-OAQYLSRUSA-N 449.599 5.224 30 20 IKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](c2ccccc2)C(C)C)[nH]n1 1821983452 AIIPMPVJJOYXLW-TZIWHRDSSA-N 444.526 5.053 30 20 IKED CCC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)CCC1 1829690301 VOGUJUISLVIMHT-OAQYLSRUSA-N 442.003 5.025 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)Cc2ccco2)CC1 1832275130 HSAIPAZJDULVPZ-OFNKIYASSA-N 428.617 5.070 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)c1ccc2c(c1)CCC2 22519749 XQGOXIXNKUFQTA-MRXNPFEDSA-N 437.540 5.034 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2CC)[n+]2ccc(N(C)C)cc2)cc1 22732044 UCTMASDHNIPJKL-UHFFFAOYSA-O 448.612 5.052 30 20 IKED COc1ccc(-c2csc(NC(=O)c3ccccc3-c3ccccc3C#N)n2)cc1OC 28715533 RTNKEWOMSLYCBI-UHFFFAOYSA-N 441.512 5.618 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cc(Cl)ccc2Cl)=C(/S)Nc2ccccc2F)c1 33720874 MYCZTYZVYPHMRA-UHFFFAOYSA-O 434.343 5.779 30 20 IKED Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 60248147 NGXPICGBHRNGSI-UHFFFAOYSA-N 441.531 5.084 30 20 IKED CCN(C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)[C@H](C)c1ccc(C#N)cc1 105906883 MGDVZPURAAGGBH-MRXNPFEDSA-N 445.523 5.230 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)COc2ccc(C3SCCCS3)cc2)cc1 111184668 RVZDXQLMVGJPOL-UHFFFAOYSA-N 442.606 5.280 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(F)cc1Br 117297388 ZAILQGWKRIMQGS-UHFFFAOYSA-N 427.298 5.863 30 20 IKED C=CCOc1c(Br)cc(CN[C@](C)(CC)c2nc(C)cs2)cc1OCC 237028553 IVZYMHBDUHPRPI-HXUWFJFHSA-N 439.419 5.593 30 20 IKED C=CCn1c(Sc2snc(Cl)c2C#N)nnc1-c1ccc(Br)cc1 301934086 RFEQXWWJEOZBKN-UHFFFAOYSA-N 438.763 5.026 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 303830964 QWAINQNAVUVNBX-UHFFFAOYSA-N 441.409 5.170 30 20 IKED O=C(O)C[C@H](NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1F 426807091 FXCFDNQRVCLUDG-HNNXBMFYSA-N 427.291 5.308 30 20 IKED CCOc1c(Cl)cc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1Cl 429090836 BYPMIPBICOLIIU-UHFFFAOYSA-N 429.307 5.422 30 20 IKED Cc1nc(C(C)C)oc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 431323890 QZXVFYWVKAMGBN-UHFFFAOYSA-N 434.443 5.297 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(F)ccc3Cl)s2)c(C(F)(F)F)c1 431333957 TYTXVOSAEXLQQF-UHFFFAOYSA-N 439.821 5.669 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)Nc1cccc(COc2cccc(F)c2)c1 432570386 UXSJMTZCGRAKJS-UHFFFAOYSA-N 431.467 5.024 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1ccccc1 435094439 BUUNABKOBZVTGY-FYYLOGMGSA-N 437.971 5.505 30 20 IKED CC(C)(C)c1nsc(Oc2ccc(NCc3cnc4ccc(C#N)cn34)cc2Cl)n1 436412146 NEPPXGKVPWBDIG-UHFFFAOYSA-N 438.944 5.413 30 20 IKED CN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nc2ccc(Cl)cc2s1 436461164 XDQRHRLOIZOCRH-UHFFFAOYSA-N 433.920 5.677 30 20 IKED C[C@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC[C@H]1c1ccccc1 437730072 BPANCYQMIWOUIG-KDYSTLNUSA-N 439.559 5.989 30 20 IKED C[C@@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](CCC#N)c2ccccc2)cc1 439426001 VAYXCSSSSUVQFV-NTKDMRAZSA-N 443.572 5.640 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1ccc(Oc2ccccc2C#N)cc1 439575167 SKQFQVZBRFVFIG-IBGZPJMESA-N 440.503 5.106 30 20 IKED COCc1nc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c(-c2ccccc2)s1 441306057 WLLAOPOJSCPCJE-MRXNPFEDSA-N 432.332 5.258 30 20 IKED CC[C@@H](C)[C@@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccc(Cl)cc1 442161849 BADIVVIGLNSMLV-FOIQADDNSA-N 429.973 5.188 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)c1C 445823907 JSJYLVUMSQQGCP-UHFFFAOYSA-N 438.453 5.341 30 20 IKED N#Cc1ccc(NC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)cc1C#N 460107374 CEJKDZPGTXWWKY-UHFFFAOYSA-N 435.270 5.241 30 20 IKED C[C@H](C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1cccc(C#N)c1 462228416 BGRYWIUDIQUQGD-ZDUSSCGKSA-N 429.373 5.646 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3ccc(NC(=O)C4CC4)cc3)cc2Cl)cc1 463170954 JCNHCKILOYQOHZ-UHFFFAOYSA-N 445.906 5.534 30 20 IKED COC(C)(C)c1nc(C)c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)s1 463460277 FSDXAPGGIHHJRM-UHFFFAOYSA-N 435.549 5.230 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1 464203133 CCSKYZPQWPOGLE-XMMPIXPASA-N 426.516 5.052 30 20 IKED CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 464732803 GDSZUYJOAPEOGI-UHFFFAOYSA-N 443.503 5.012 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 468353604 RCISVRMMOGVAOB-XMMPIXPASA-N 438.934 5.045 30 20 IKED COc1ccc([C@H](CNC(=O)CSc2cccc(C#N)c2)c2c[nH]c3ccccc23)cc1 468627669 NSHFYCKNCSSTRJ-QHCPKHFHSA-N 441.556 5.089 30 20 IKED Cc1cc(N(CCC#N)C(=O)CNc2ccccc2Oc2ncccc2C#N)ccc1Cl 470543121 LGFDDVUVDLVKBA-UHFFFAOYSA-N 445.910 5.066 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1nc(C2CCCC2)no1 474695273 ZCKICPPLXDRZQC-UHFFFAOYSA-N 438.475 5.323 30 20 IKED C[C@@H]1[C@@H](C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCN1c1ccccc1 475256993 CKFUVMQLUNSXMO-NLFFAJNJSA-N 425.532 5.185 30 20 IKED C=C(C)[C@H](NC(=O)N[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1)c1ccc(F)c(F)c1 477175026 GNIBRXWMBREGMV-DJJJIMSYSA-N 430.430 5.140 30 20 IKED Cn1cc([C@H](NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)cn1 479403192 YTERUOVDGCUQEU-GOSISDBHSA-N 431.355 5.476 30 20 IKED C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccccc1C(=O)c1ccccc1 479479044 HVQVYKQARLECLS-QGZVFWFLSA-N 436.558 5.113 30 20 IKED CN(C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1cc(Cl)ccc1C#N 479567715 QMWRQXGSVCMNRA-UHFFFAOYSA-N 433.682 5.377 30 20 IKED Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)Nc1cc(C(F)(F)F)ccc1F 480035117 CCHVAMKNYZKOCB-UHFFFAOYSA-N 432.295 6.079 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)[C@H](C#N)c3cnc4ccccc4n3)cc12 483211501 OYLNBUVVJVPORK-QGZVFWFLSA-N 443.919 5.482 30 20 IKED N#CCCC[C@H](NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1ccccc1 487615479 GKFYCDYMFSXVOH-KRWDZBQOSA-N 441.318 5.741 30 20 IKED CN1CCC(n2ccc(NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)n2)CC1 488396613 XSVLKDWKPOVWGP-NRFANRHFSA-N 448.958 5.103 30 20 IKED N#CCCCOc1cccc(NC(=O)c2ccccc2SCc2cn3ccccc3n2)c1 488461209 RXTBPFZSJUHDOL-UHFFFAOYSA-N 442.544 5.561 30 20 IKED C=CCn1c(SCC(=O)N[C@H](c2cccs2)C(C)(C)C)nnc1-c1cccs1 489412272 XDEQYXVGCOETAM-QGZVFWFLSA-N 432.640 5.250 30 20 IKED CCn1c(NC(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)nc2cc(C#N)ccc21 490747699 UKKUHYHZHZNULT-UHFFFAOYSA-N 448.477 5.077 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(-c4noc(C(F)F)n4)cc3)cc2)c1 497098487 NWNGYCDMEGBVOI-UHFFFAOYSA-N 446.413 5.377 30 20 IKED CCC(CC)[C@H]1C[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CCO1 498385309 MGPYVVVOBQZZOT-LOSJGSFVSA-N 437.559 5.393 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ccc(S[C@H](C)CC)cc1C 499005486 SXUSDESZPWRVAD-GOSISDBHSA-N 426.582 5.048 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(CSc3ccccn3)c2)o1 499016934 OIXRVNVAOPHDQS-UHFFFAOYSA-N 441.512 5.670 30 20 IKED COc1cc(C(=O)Nc2nc(C)c(SCC#N)s2)cc(Cl)c1OCCC(C)C 504800921 KTKOUHUWIRMPQW-UHFFFAOYSA-N 439.990 5.406 30 20 IKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1 505833841 QQXVGMLJACOPOF-LJQANCHMSA-N 444.432 5.322 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 506803059 WDOFBNGXEAFURU-UHFFFAOYSA-N 441.535 5.324 30 20 IKED C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CC[C@H](CC(F)(F)F)C1 508697435 JMOMOXYGARMKQQ-GOSISDBHSA-N 442.485 5.489 30 20 IKED N#Cc1cccc(CNC(=O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)c1 510052497 DGPCRWZHFMNTKH-UHFFFAOYSA-N 436.587 5.147 30 20 IKED N#Cc1ccc(NC(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)c(Cl)c1 510839202 TVPDQOJMODONHG-QGZVFWFLSA-N 441.963 5.519 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2ccccc2F)C2CC2)cc1 511339325 VJSCKWBPPVTNGZ-UHFFFAOYSA-N 429.495 5.667 30 20 IKED CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1 513493485 SKKMTXLSXKKWJF-UHFFFAOYSA-N 447.922 5.181 30 20 IKED N#Cc1ccc(CSc2nccn2-c2ccc(C(=O)NCc3cccs3)cc2)cc1 514428153 UQMGQJLDCOFZBU-UHFFFAOYSA-N 430.558 5.028 30 20 IKED Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)o2)cc1 515157414 PREAWRJVQWRWBA-UHFFFAOYSA-N 438.487 5.589 30 20 IKED COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1sc2c(c1C#N)CCCCCC2 515448172 SJKOVDFKOIIUNA-CQSZACIVSA-N 428.579 5.185 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21 517473226 KKNOZAKEJZRJNV-GCJKJVERSA-N 443.572 6.251 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 517779529 QQDWTOVUMUKHQQ-UHFFFAOYSA-N 425.532 5.280 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 517821789 VTRAUEUNADIAJD-NRFANRHFSA-N 432.907 5.821 30 20 IKED CN(Cc1ccccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C1CCCCC1 518901976 GQCNASKLPVYJBQ-UHFFFAOYSA-N 440.547 5.762 30 20 IKED CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(Cl)cc1 519091161 NKZZBJVFZQLKKU-JOCHJYFZSA-N 433.895 5.210 30 20 IKED CCC(CC)(CNC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccc(Cl)cc1 519436602 XKJQRYSHYGYRHA-UHFFFAOYSA-N 444.000 5.158 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 520477955 PRKNNHJNKOEATK-UHFFFAOYSA-N 438.531 5.646 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 521259453 NJBORYRGLBZXJN-IFXJQAMLSA-N 434.392 6.614 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1nc(C(F)(F)F)cs1 522871103 LHWLCUNMIXFQRP-UHFFFAOYSA-N 438.244 5.284 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2CCOc3c(Cl)cccc32)cc1 523877583 FMNWQOJWSZJGAH-QHCPKHFHSA-N 449.913 5.586 30 20 IKED Cc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)ccc1NC(=O)CC(C)C 524658287 QDNWPASTFPNZDE-UHFFFAOYSA-N 427.504 5.896 30 20 IKED Cc1ccc(Br)cc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 524658441 SSIVFIOCYVTXIQ-UHFFFAOYSA-N 443.288 6.034 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC(OCC3CCCCC3)CC2)c1 525159375 APLOBEYJEYNDGD-UHFFFAOYSA-N 432.564 5.339 30 20 IKED C[C@H](C#N)CN(C(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1)C1CC1 532818629 CGFKNXHEOPXKGM-CQSZACIVSA-N 438.890 5.976 30 20 IKED N#Cc1ccccc1Oc1ccc(-c2nc(CC(=O)NC3CCCCC3)no2)cc1Cl 535593103 NXBKMIFEUJXGIG-UHFFFAOYSA-N 436.899 5.045 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 537996511 XDBOTVQZZABPSD-UHFFFAOYSA-N 425.366 5.082 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(OCc2ccccc2OC)CC1 538804035 NMKWHYHHYLDKCE-UHFFFAOYSA-N 449.469 5.100 30 20 IKED Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 539302578 BQPXOUWWPCPWGP-HSZRJFAPSA-N 429.524 5.041 30 20 IKED CC(C)c1ccccc1-n1c(SCCCC2(C#N)CCOCC2)nnc1-c1cccnc1 540769208 AJYPOFSGYFNFPW-UHFFFAOYSA-N 447.608 5.645 30 20 IKED Cc1cc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)nn1-c1cccc(Cl)c1 540788346 CJHFVGFHXASBIG-UHFFFAOYSA-N 429.867 5.145 30 20 IKED N#Cc1cccc(-c2nnc(N3CC[C@H](c4ccc(F)cc4)C3)n2Cc2cccs2)c1 549570911 FXIGXUTZERCHNM-FQEVSTJZSA-N 429.524 5.060 30 20 IKED O=C(c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 553348619 SBCZCKMFKPQZQG-SCLBCKFNSA-N 449.366 5.144 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N(Cc3cc(F)ccc3F)C3CCCC3)CC2)c(F)c1 560586315 NVXSYIBJTKOSHN-UHFFFAOYSA-N 441.497 5.163 30 20 IKED N#CCc1cccc(Br)c1OCc1nnc(-c2c(Cl)cccc2Cl)o1 566766608 WXUWCRWUNNHLLP-UHFFFAOYSA-N 439.096 5.451 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1 568890990 QUWFUGYHHYOHQG-UHFFFAOYSA-N 449.913 5.544 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1)[C@H]1C[C@@H]1C 573993198 FFTHJNPUUVMMJI-QYBDOPJKSA-N 439.515 5.559 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 574217389 CWWOBANMFRFIBH-UHFFFAOYSA-N 442.906 5.428 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc2c(c1)nc(Cc1cccs1)n2C 580227149 RKMMAELZSWREDV-MRXNPFEDSA-N 446.601 5.872 30 20 IKED Cn1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1Cc1ccccc1 583479879 HNBXQJHIKWMTHP-SFHVURJKSA-N 432.936 5.278 30 20 IKED Cc1cc(C(=O)CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(C)s1 590480066 OJFBCQREWOELTI-UHFFFAOYSA-N 436.508 5.556 30 20 IKED CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N(Cc1ccccc1)c1ccccc1C#N 603532603 FVVRLIIRWVBSLE-XMMPIXPASA-N 445.950 5.199 30 20 IKED CCOc1ccc(OCCCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 603738417 AHWQIORKBGQCIE-UHFFFAOYSA-N 431.492 5.250 30 20 IKED C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(=O)Nc1c(F)cccc1F 604046634 HBDIHOFBJGYJCI-CYBMUJFWSA-N 427.838 5.721 30 20 IKED CC(C)c1noc(-c2ccccc2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)n1 609019683 BIURVZITSDCMFF-UHFFFAOYSA-N 429.505 5.031 30 20 IKED C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 609105339 XPOHKIAKODSHJI-OPAMFIHVSA-N 443.478 5.123 30 20 IKED CC(C)Sc1ccc(Cl)cc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609209760 ONYRRLLEJLDUCA-UHFFFAOYSA-N 429.973 5.787 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCCO[C@@H](c4ccccc4)C3)cc2F)c1 609254121 IHMJJJGNSBFHON-RUZDIDTESA-N 445.494 5.272 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1 609401968 ODRNJCAXNFGAJQ-GJZGRUSLSA-N 437.487 5.762 30 20 IKED Cc1c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)nnn1-c1cccc2ncccc12 609426569 IXHYWXIUDBIQOK-UHFFFAOYSA-N 446.470 5.040 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 609436493 NINYDXXUMUNSQD-MSOLQXFVSA-N 428.627 5.176 30 20 IKED COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)c2cc4ccccc4n2CC#N)CCC3)cc1 609455672 PEFQJMFLXXILOY-IBGZPJMESA-N 442.544 5.104 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc4nc([C@@H]5CCCO5)[nH]c4c3)c2)c1 609643300 RRXFKONLOJEZSK-DEOSSOPVSA-N 438.487 5.117 30 20 IKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)cc1 611149751 MQMSDJQIBXILJX-VWLOTQADSA-N 444.579 5.082 30 20 IKED COc1ccc2c(c1)OCC[C@@H]2NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 611802593 JJSJYWJNLVJOJW-XDHUDOTRSA-N 427.504 5.118 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 612314440 AKSHKWVUWIAXSV-QGZVFWFLSA-N 443.494 5.256 30 20 IKED COc1ccccc1OCc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)o1 613403979 MAVKIAZTSIEJGC-HNNXBMFYSA-N 437.402 5.102 30 20 IKED N#Cc1ccc(CNC(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1Cl 619787322 QUEGIRHBJXOWFI-UHFFFAOYSA-N 429.263 5.032 30 20 IKED C[C@H](c1nnc(-c2ccccc2F)s1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 669927918 SONGSFNDJPNJRK-MXWKQRLJSA-N 427.389 5.468 30 20 IKED C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C(=O)c2ccccc2)CC1 670198536 NOZOSGHXZNVUCZ-UHFFFAOYSA-N 425.536 5.102 30 20 IKED C[C@H](CSc1ccc(F)cc1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 674783627 HHWIDPXOGGIXIR-NMKXLXIOSA-N 431.417 5.580 30 20 IKED N#C[C@H](C(=O)C1CCC(NC(=O)CC2CCCC2)CC1)c1nc2cc(Cl)ccc2s1 726322163 GOZUEQISYSXLMM-VMWRSERWSA-N 444.000 5.381 30 20 IKED COc1cc(CN(C(=S)Nc2ccc(C#N)c(Cl)c2)C2CC2)ccc1OC(F)F 726449309 OVTMLNQXDKKLNZ-UHFFFAOYSA-N 437.899 5.183 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccccc2OC)[n+]2ccc(C(C)(C)C)cc2)c1 726572848 PVNZBWQAAZSCHR-UHFFFAOYSA-O 443.592 5.585 30 20 IKED COc1ccc(N(CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)Cc2cccs2)cc1 727140319 WYLWITXNPIXHGU-NRFANRHFSA-N 440.528 5.001 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccc(OC(F)(F)F)cc3)n2)cc1 727632314 QJQZUKDRWXNJFE-GOSISDBHSA-N 441.434 5.389 30 20 IKED Cc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728298185 CGIYCJJUJZKHDH-INIZCTEOSA-N 437.902 5.677 30 20 IKED N#C[C@H](C(=O)CCc1nc2cc(Cl)ccc2s1)C(=O)Nc1ccc(F)c(Cl)c1 730686857 JWHOGAKCYLZVIU-GFCCVEGCSA-N 436.295 5.022 30 20 IKED Cc1cc(Br)ccc1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 732418952 WBFRJWCJWTYCBJ-QFIPXVFZSA-N 434.337 5.735 30 20 IKED C[C@H](COc1cccc(C#N)c1)OC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 733860870 IDXINTCIQLZXHK-CQSZACIVSA-N 445.302 5.463 30 20 IKED CC(C)OC(=O)NCc1ccc(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 735174467 YVIHOUBIJRQGDU-UHFFFAOYSA-N 444.491 5.629 30 20 IKED CCOc1ccc(-c2nn(CN(CCC#N)C(C)C)c(=S)n2-c2ccccc2F)cc1 739841468 KSJRNDIDPWUQAR-UHFFFAOYSA-N 439.560 5.190 30 20 IKED CCOc1cc(/C=C2/CCc3c(O)cccc3C2=O)ccc1OCC(=O)Nc1ccccc1 742434771 MUDCFVZGMFSYLB-CYVLTUHYSA-N 443.499 5.021 30 20 IKED N#Cc1cc(NC(=S)Nc2ccccc2Oc2ccccc2)ccc1N1CCC(O)CC1 743011965 YARLVFUGCYDPHP-UHFFFAOYSA-N 444.560 5.121 30 20 IKED Fc1ccc(OCc2nnc(S)n2N=Cc2cc(Cl)ccc2OC2CCCC2)cc1 743434463 QHJMFCGKFZMHSY-UHFFFAOYSA-N 446.935 5.142 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C(/C)c1cccc(C(F)(F)F)c1 744029434 SOPNDXDLILCNPI-NLBZTSMMSA-N 428.454 5.581 30 20 IKED CCCc1nc2ccccc2c(C(=O)OCc2nnc(-c3cccc(C#N)c3)o2)c1CC 744466566 BQXQEPHQOCLKHZ-UHFFFAOYSA-N 426.476 5.028 30 20 IKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 744936003 KZEJYRHZYLEBMX-GFCCVEGCSA-N 446.315 5.087 30 20 IKED CC(C)(C)OC(=O)NC1(CC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)CCC1 747112895 HLUQLXHJUVESEM-ZDUSSCGKSA-N 447.507 5.102 30 20 IKED COc1cc(C=NOc2ccccc2C(F)(F)F)ccc1OC(=O)c1ccc(F)cc1 754712837 UWFDJSZNBIYJGV-UHFFFAOYSA-N 433.357 5.485 30 20 IKED COc1cc(F)c(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)cc1OC 760264971 OSXFVFXYGWPUTA-ZHACJKMWSA-N 439.870 5.645 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)n2)cc1 770840612 GHVPHPZOSXPSBW-HJPURHCSSA-N 442.540 5.960 30 20 IKED C=CCNc1ncc(C(=O)Nc2ccccc2CN(C)C(=O)c2cc3ccccc3o2)s1 771023757 WDSMMNVUZQUYDV-UHFFFAOYSA-N 446.532 5.012 30 20 IKED C#CC[C@H](NCc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1)c1ccccc1 775399706 TVQJLFDEHQGGTQ-QFIPXVFZSA-N 437.996 5.952 30 20 IKED N#CCc1ccccc1CC(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 776769801 IITUHWGAFXMFJA-HSZRJFAPSA-N 448.448 5.096 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ccnn1Cc1ccc(SC(F)(F)F)cc1 779485371 LTCIWOMBXHWAGT-UHFFFAOYSA-N 445.470 5.079 30 20 IKED CN(C)c1ccc([C@@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)c2c[nH]c3ccccc23)cc1 780173027 ZGEVVBIRGDZZRK-RUZDIDTESA-N 448.570 5.085 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)c1nc2cc(F)ccc2s1 780358651 NPXAETAGBCVQPS-HIFRSBDPSA-N 436.537 5.138 30 20 IKED CSCc1cc(C(=O)[C@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)ccc1F 787046584 RLIQUZAPLPKIGF-ZBEGNZNMSA-N 439.339 5.195 30 20 IKED CCC1(c2ccc(Cl)cc2)CCN(CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)CC1 791547278 UHMYSLHKIRLNDP-NRFANRHFSA-N 444.966 5.321 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC(F)(F)F)cc1 799222203 XTYUBMRVMHPZOP-SFHVURJKSA-N 449.498 5.134 30 20 IKED N#C[C@@H](C(=O)COc1ccc(-c2ccccc2)cc1Cl)c1cc(C(F)(F)F)ccn1 813215809 BURNTOXGYUHFPJ-QGZVFWFLSA-N 430.813 5.676 30 20 IKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@@H](c1nccs1)C(F)(F)F 818321236 FASHYDWIBHZKKG-BIOMNHJASA-N 448.310 5.614 30 20 IKED Cc1ccc(Cn2nc(C)c(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)c2Cl)cc1 877881384 PQXRRSPARGBBKU-CQSZACIVSA-N 438.984 5.512 30 20 IKED Cc1ccc(N2C(=O)CC[C@@H](C(=O)N(C)Cc3ccc(C#N)cc3)[C@H]2c2cccs2)cc1 914492254 VMINNPFFWRFKMI-RDGATRHJSA-N 443.572 5.071 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)cc1 915180589 PQGNBSAYYLETIS-DEOSSOPVSA-N 439.515 5.024 30 20 IKED CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 915700147 GOSYZJQPPLKHOJ-UHFFFAOYSA-N 429.524 5.256 30 20 IKED CC(C)c1ccc(-n2ccnc2SCC(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1 916849586 XYGMFOBNVWZRRA-OAQYLSRUSA-N 426.545 5.512 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(-c2ccc(F)cc2)o1 916904410 CKOTWDUTPVFBNV-HXUWFJFHSA-N 440.430 5.839 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1sc(-c2cccc(Cl)c2)nc1C 916922874 JGWQOLGNMAPWIX-MRXNPFEDSA-N 439.924 5.132 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 916953752 DQEHEEPTJCSWCN-HRAATJIYSA-N 443.551 5.364 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCCCc2nc3ccccc3s2)cc1 916955288 NZJUGZRMVQVCRL-PXNSSMCTSA-N 433.577 5.870 30 20 IKED Cc1ccc(-c2cnc(CCC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)o2)cc1 916976723 FGPKEQTZKDEGGQ-IBGZPJMESA-N 447.947 6.236 30 20 IKED COc1ccc(COCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916995657 BQFVVPALZRGUNV-KRWDZBQOSA-N 447.343 5.519 30 20 IKED CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1N=Cc1cccc(OCC)c1O 920943541 ZYHDAZJSXIDKCL-UHFFFAOYSA-N 448.519 5.591 30 20 IKED CC(C)c1cccc(C(C)C)c1NC(=S)Nc1ccc(Oc2ccc(C#N)cc2)cc1 920997940 BJXLCRZYYMDAEZ-UHFFFAOYSA-N 429.589 7.406 30 20 IKED C=CCN(C(=O)[C@@H](C)Cc1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 920999530 UYUPOMZBSICDJJ-HNNXBMFYSA-N 425.485 5.255 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)cc(Cl)n4)CCC3)cc2)C1 1785808656 VNAQHSCOUGRLAP-UHFFFAOYSA-N 430.335 5.102 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(C)oc3C(F)(F)F)CCC2)cc1 1791728723 AYFXBOOBKMIOMD-UHFFFAOYSA-N 446.469 5.548 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc[nH]4)CCC3)cc2)c1 1792122612 OMNWFUZNFNDRTF-LJQANCHMSA-N 440.547 5.022 30 20 IKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)s1 1816353547 MMLFRSKPLGNIBD-YWZLYKJASA-N 447.564 5.026 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccccc2Cl)n[nH]1 1816904396 VEZFSCXMLTVAFL-NQIIRXRSSA-N 440.975 5.066 30 20 IKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)[nH]n1 1821988013 YWMASWWWWCVCMC-SFHVURJKSA-N 436.547 5.220 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2c(C)c[nH]c2C)CC1 1823751266 OXGLZYJKOPEICM-DEOSSOPVSA-N 441.660 5.176 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCCCC2(F)F)CC1 1824642265 OAIPOGLKSYOHEV-SFTDATJTSA-N 438.603 5.424 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(C)CCCCC3)CC2)c1 1831796070 MZBPWFICMWQHHT-BWKNWUBXSA-N 449.639 5.517 30 20 IKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c(Cl)c1 1832607902 PZJWNKYYOYGNLI-DEOSSOPVSA-N 449.982 5.067 30 20 IKED C=CCn1c(SCc2cc(OC)c(OC)cc2Br)nnc1-c1ccccc1 20066183 RJJFZVVKSBUUDK-UHFFFAOYSA-N 446.370 5.203 30 20 IKED C=CCn1c(SCc2cc(=O)oc3cc4c(cc23)CCC4)nnc1-c1cccc(C)c1 22299106 LQIKRXQPDSALBB-UHFFFAOYSA-N 429.545 5.327 30 20 IKED N#CCc1ccc(NC(=O)c2cc3ccccc3cc2NS(=O)(=O)c2cccs2)cc1 28437795 JFAKARRNVKUBOU-UHFFFAOYSA-N 447.541 5.020 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(OCC)cc3)cc2)cc1OC 30764694 OOQRSHBCHLCKNI-UHFFFAOYSA-N 446.503 5.163 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccc(Cl)cc1 36801921 FKJMFRFYENWHAL-HNNXBMFYSA-N 440.956 5.106 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1ccc(COc2ccccc2Br)cc1 64455619 PXVUZDFZTKYWGD-UHFFFAOYSA-N 437.293 5.161 30 20 IKED C=CCn1c(SCc2ncc(-c3ccc(OC)cc3)o2)nc2sc(C)c(C)c2c1=O 65279467 ZURQYMNDDFPHQC-UHFFFAOYSA-N 439.562 5.217 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)o1 108064737 BNTZTVCGNZJRMZ-UHFFFAOYSA-N 425.488 5.231 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1csc(-n2c(C)ccc2C)n1 117217794 XHZAPKCLJOMANP-UHFFFAOYSA-N 443.532 5.099 30 20 IKED COc1cc(C)c(CN(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OC 216763067 GQIVWWDRCMSKBN-UHFFFAOYSA-N 446.572 5.448 30 20 IKED C=CCn1c(S[C@@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)nnc1-c1ccncc1 255930181 ZFRZXBCBJJBOJP-XMMPIXPASA-N 440.572 5.859 30 20 IKED C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(OCCCC#N)c1 303443986 IHPITWQMZHHJOC-YGOYIFOWSA-N 445.563 5.092 30 20 IKED Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 303588365 GYOAIBLAIBRFBK-UHFFFAOYSA-N 441.531 5.084 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)NCc3cccc(OCC(F)(F)F)c3)c2)c1 303669305 YGUOAKMXUKJVHJ-UHFFFAOYSA-N 440.421 5.008 30 20 IKED Cc1noc(C[C@@H](NC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c2ccccc2)n1 429610858 MHXPUAOATUUBBJ-JOCHJYFZSA-N 439.475 5.148 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccccc1 435729593 DOQRWRZIHPNSCW-IBGZPJMESA-N 445.485 5.068 30 20 IKED C[C@H]1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 437758852 NEPURDRDXSNUKN-MRUHUIDDSA-N 447.526 6.715 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCCC4(CCCCCC4)C3)s2)cc1 437808170 XEABFNIVRJRXJM-UHFFFAOYSA-N 441.626 5.670 30 20 IKED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 438015981 UNFQRAHTBNYZCD-UWJYYQICSA-N 434.367 5.081 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(C#N)cc1OC(F)F 439551249 RNSLZNXBXKUYCO-CQSZACIVSA-N 447.532 5.283 30 20 IKED CCCc1c(NC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)cnn1-c1cccc(C#N)c1 439691809 NZBCGMGMNUYCBX-PXNSSMCTSA-N 431.515 5.245 30 20 IKED C=CCC[C@H](NC(=O)N1CCO[C@H](c2cccc(O)c2)C1)c1ccc(C(F)(F)F)cc1 441546786 VKZYLAFNNOIAIH-SFTDATJTSA-N 434.458 5.201 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(F)c(Br)c3)n2)cc1 442865877 VIEIFBDRGISMTF-CQSZACIVSA-N 431.286 5.210 30 20 IKED Cn1ccc2ccc(NC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)cc21 443826311 KHFYBNKVCZORAA-UHFFFAOYSA-N 444.878 5.073 30 20 IKED Cc1nn(C)c(C)c1[C@@H](NCCC(C#N)(c1ccccc1)c1ccccc1)C(F)(F)F 444656224 CYRDVWVKMHLFAT-JOCHJYFZSA-N 426.486 5.130 30 20 IKED C=CC[C@H]1N(C(=O)Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)CCCC1(C)C 444897838 NXNMGGWPAGSYET-HSZRJFAPSA-N 440.609 5.400 30 20 IKED Cc1c(Br)ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1F 447641456 PHZHHMPGHAIKMF-UHFFFAOYSA-N 426.245 5.208 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3c[nH]cc3-c3ccc(F)cc3)s2)cc1 460959155 CFLSTSZGIAYLBW-UHFFFAOYSA-N 435.509 5.089 30 20 IKED N#Cc1cccc(OCCCCc2nc(-c3ccc4nc(-c5cscn5)[nH]c4c3)no2)c1 463183000 VEQMVZUUCMMNFU-UHFFFAOYSA-N 442.504 5.010 30 20 IKED Cc1ccc(CCN(CC(F)(F)F)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 463932860 VAIXZWHSNJVPLQ-UHFFFAOYSA-N 439.437 5.301 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 464941832 PDIWBSUDLDCVGW-HKUYNNGSSA-N 443.494 5.546 30 20 IKED C[C@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)Oc1ccc(F)cc1 466195780 KBNLPHGPNJVCGL-GOSISDBHSA-N 433.483 5.060 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 467914553 SCNOTFFORLJBKD-UHFFFAOYSA-N 433.577 5.631 30 20 IKED C[C@@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C(=O)c1cccc(F)c1 468413397 VITFAJIEPIVGJM-KSFYIVLOSA-N 434.898 5.982 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 469342030 WVNHIAZWJFXVGN-UHFFFAOYSA-N 437.908 5.342 30 20 IKED CCCN(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[C@@H](C)c1ccccc1OC 470546305 KPRPBLVTEPFHFN-IBGZPJMESA-N 448.567 5.283 30 20 IKED Cc1c(I)cccc1C(=O)Nc1ccccc1SC[C@H](C)C#N 471272302 HIYQZZDKQKQXKU-GFCCVEGCSA-N 436.318 5.104 30 20 IKED N#CCC[C@@H](NC(=O)N(Cc1cccc(Br)c1)CC1CC1)c1ccccc1 473733767 MPZVKSGZVIIECA-OAQYLSRUSA-N 426.358 5.416 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCC(NC(=O)C3CC3)CC2)cc1Cl 474902476 VESFXHLYVTXOIG-AJTFCVKESA-N 435.955 5.019 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 474905555 KSTCKPKUWJUDDK-QHCPKHFHSA-N 426.495 5.148 30 20 IKED Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)Nc1cccc(OCCCC#N)c1 478847078 YJHNSBZLADJVNL-UHFFFAOYSA-N 429.398 5.604 30 20 IKED Cc1cccc(CN(Cc2ccco2)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1 479222658 UVLGRDGYBYKLPQ-UHFFFAOYSA-N 443.547 5.562 30 20 IKED CC[C@@H](C)n1c(SCC(=O)N(C)c2cc(Cl)ccc2C#N)nnc1-c1ccccc1 479562894 LGCHMCSPULQSAT-OAHLLOKOSA-N 439.972 5.196 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 482999073 YGYLRCPTRVEVHR-UHFFFAOYSA-N 435.405 5.427 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(C(=O)Nc4ccccn4)c3)c2)cc1 483496198 OZZKSOKPCYWOKK-UHFFFAOYSA-N 434.455 5.250 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3cccc(COC4CCOCC4)c3)c2)cc1 487609685 QHKSFEJZFXGGOS-UHFFFAOYSA-N 428.488 5.298 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1NC(=O)CNc1ccc(Oc2ccccc2)c(C#N)c1 488138044 WPHYTICRKLKYCA-UHFFFAOYSA-N 437.503 5.204 30 20 IKED C=CCC[C@@H](C(=O)Nc1ccc(OC)c(NC(=O)c2cccc(F)c2)c1)c1ccccc1 488620368 BHMRUOYUCWTTIG-JOCHJYFZSA-N 432.495 5.775 30 20 IKED C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 495642863 ZLBQCNVDTGXDJM-HNNXBMFYSA-N 428.517 5.212 30 20 IKED N#C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(Br)cc1 499432920 PXFFSVHRYSGPAE-KRWDZBQOSA-N 444.716 5.071 30 20 IKED CN(CC1CCN(c2ccncc2)CC1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 499551766 BIPSTVPLLDCFHH-UHFFFAOYSA-N 441.535 5.126 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(CCc4ccccc4)n3)n2)cc1 499574063 MFQPPHBENNNIDE-IBGZPJMESA-N 445.569 5.550 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(OCc2cccnc2)c1 500760668 XMDRPFNHCODEPE-UHFFFAOYSA-N 435.483 5.885 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 501588875 LYTXARKXZLIFNC-UHFFFAOYSA-N 443.016 5.455 30 20 IKED CCN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 501955214 KQWQOFNLUXMIBT-NFBKMPQASA-N 443.547 5.028 30 20 IKED COCCOc1ccc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 502634707 MYFMWWVYMCNLGS-UHFFFAOYSA-N 431.492 5.001 30 20 IKED N#C[C@H](C(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1nc2ccccc2n1C(F)F 502761124 RBVBKUABHWHSJS-CQSZACIVSA-N 445.351 5.126 30 20 IKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2cccnc2)c1)c1nc2cc(Cl)ccc2s1 503421062 MHXWZEFOVNBYGN-KRWDZBQOSA-N 432.892 5.087 30 20 IKED C=CCn1c(SCc2cn3c(C)cccc3n2)nnc1-c1ccc(Br)cc1 503697895 QPTFLUVPACYXQV-UHFFFAOYSA-N 440.370 5.142 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N[C@H](CC(F)(F)F)c3ccc(F)cc3)o2)cc1 509293856 KBFHUYWHECWIBI-LJQANCHMSA-N 432.373 5.293 30 20 IKED CC1(C#N)CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2Cl)CC3)CC1 509407052 NLZFFYPVHUFFJI-MNDPQUGUSA-N 441.962 6.141 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC 510686339 WAYTXZZMXAZYEM-JOCHJYFZSA-N 443.503 5.737 30 20 IKED COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)CCc1c(C)nc(O)c(C#N)c1C 512828135 NEKXSKFBJCGIDL-UHFFFAOYSA-N 449.482 5.095 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1 514165794 WLAVNNAVWZHNPM-HXUWFJFHSA-N 433.556 5.500 30 20 IKED Cc1sc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)c(C#N)c1C 514903934 QTZIJRCOSGREEO-VBKFSLOCSA-N 425.513 6.117 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 515257354 OOCGRMTUWVLBGC-HNNXBMFYSA-N 440.425 5.989 30 20 IKED Cc1sc(-c2ccco2)nc1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 519128932 HSINGVSVSXSYOT-FQEVSTJZSA-N 429.501 5.285 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)cc1 519991650 ZJVSCUGKDPVUSU-UHFFFAOYSA-N 428.448 5.111 30 20 IKED COc1ccc(NC(=O)c2ccc(NC(=O)CCCCOc3cccc(C#N)c3)cc2)cc1 520334004 NZVDXEFYNHRDSA-UHFFFAOYSA-N 443.503 5.007 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CCSc1ccccc1Br 521725533 CURXJMSISLOCIW-CQSZACIVSA-N 435.412 5.822 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)NCC2(c3ccc(Cl)cc3)CCCCC2)cc1 522487733 ILROGNFMCDXVCR-UHFFFAOYSA-N 437.971 5.098 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC(c4ccccc4F)CC3)c2)c1 523012892 XUHDFXNGGAUTNC-UHFFFAOYSA-N 442.494 5.361 30 20 IKED C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 523139435 UYZVYGURSUWCQD-PXAZEXFGSA-N 425.248 5.028 30 20 IKED CN(C)[C@H](CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1c(F)cccc1F 523768347 OJYOTJYDDABBMS-JOCHJYFZSA-N 436.462 5.053 30 20 IKED CCOc1ccc(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)c(C(F)(F)F)c1 524153210 PUYLIBNJYQKHRE-UHFFFAOYSA-N 447.457 5.487 30 20 IKED C[C@H](c1cccc(NCc2cccc(OCc3ccccc3C#N)c2)c1)N1CCOCC1 533213767 CEKKTIWYMZMORI-OAQYLSRUSA-N 427.548 5.143 30 20 IKED C=CCN(Cc1ccc(OC)cc1)Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1 535223671 BCGHAADHMPLRBF-UHFFFAOYSA-N 441.984 5.678 30 20 IKED C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCC#Cc1ccc(C(F)(F)F)cc1 540187368 XGZRTFVFAYVXDL-CQSZACIVSA-N 428.376 5.083 30 20 IKED COc1ccccc1Nc1nc2sc(C(=O)N(CCC#N)Cc3cccnc3)cc2s1 540496389 MFJZECSSLDLNRJ-UHFFFAOYSA-N 449.561 5.061 30 20 IKED N#CCC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CC1 541047020 TYGPUTKUCSPRBB-UHFFFAOYSA-N 449.352 5.068 30 20 IKED Cc1sc([C@@H](C)NCC(=O)N(C)C2(C#N)CCCCC2)nc1-c1ccc(Cl)cc1 542574550 OWLSCTHFEOUIHJ-OAHLLOKOSA-N 431.005 5.107 30 20 IKED C[C@@H](NC(=O)[C@@H](OC1CCOCC1)c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 542928543 RUVHUBDWVBNMBR-HRFSGMKKSA-N 440.543 5.339 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 549202361 LXSIVFYMQCDMIE-ZDUSSCGKSA-N 436.459 5.473 30 20 IKED COc1cccc([C@@H](CNc2ccc(C#N)c([N+](=O)[O-])c2)c2c[nH]c3ccccc23)c1OC 558592956 MDQXTZUHDABFAN-OAQYLSRUSA-N 442.475 5.209 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2nnc(-c3ccccc3Cl)o2)cc1 560854563 GZNPDTKMZYJAAQ-UHFFFAOYSA-N 432.886 5.603 30 20 IKED CC(C)N(Cc1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1)C[C@@H]1CCCCO1 563974780 ORVBITMYGOWCHC-UIOOFZCWSA-N 448.611 5.633 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3OC(F)(F)F)cc2)ccn1 568456065 OAHTXZBTDPZDAY-UXHICEINSA-N 439.393 5.386 30 20 IKED COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1Cc1ccc(-c2ccccc2C#N)cc1 572520243 BDJPHSIJYHYAOK-VWLOTQADSA-N 425.532 5.145 30 20 IKED C=CCn1c(S[C@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)nnc1-c1ccc(C)cc1 579498522 YIWPAKSFUKIWJZ-UWJYYQICSA-N 436.556 5.033 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCC4)c3cnn(C(C)C)c3n2)c(C)o1 590612913 DHURSQICNKAOOV-UHFFFAOYSA-N 445.548 5.563 30 20 IKED Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 603806843 QCTBEMXENNXSNN-ZDUSSCGKSA-N 444.969 5.070 30 20 IKED COc1cc(C#N)ccc1OCC(=O)Nc1ccc(N[C@H](C)c2ccccc2)c(Cl)c1 604513235 MIVRDLNIUZAQTI-MRXNPFEDSA-N 435.911 5.411 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c1 608811457 WFNCQQWWCRNATR-UHFFFAOYSA-N 444.516 5.192 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H](c4cc5ccccc5[nH]4)C3)c2)cc1 609209861 QFJOAWBFOCNMPO-NRFANRHFSA-N 436.515 6.243 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)Nc3ccc(C#N)c(C#N)c3)cc12 610109411 LWBQRVOFPVBDDV-UHFFFAOYSA-N 431.908 5.104 30 20 IKED Cc1cc(-c2cc(C(=O)N[C@H](C)c3cccc(C#N)c3)c3cnn(C(C)C)c3n2)c(C)o1 610360934 LAABXGFYEUVIEX-MRXNPFEDSA-N 427.508 5.252 30 20 IKED COc1cccc([C@@H]2C[C@H](C)CN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1 612298634 CJUIGKOEWIEDAY-SBUREZEXSA-N 428.492 5.369 30 20 IKED Cc1cc(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc(C(F)(F)F)c1 617088736 XTOIZQRANZVSSZ-UHFFFAOYSA-N 439.393 5.255 30 20 IKED N#Cc1ccc(CNC(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1Cl 619769475 YFJVSXVGTGGTSC-OAQYLSRUSA-N 425.319 5.043 30 20 IKED C=CCN(CC=C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(OC)c1OC)CC2 641889740 SZBVNSGTSYQMPR-VHEBQXMUSA-N 440.543 5.553 30 20 IKED C[C@H](NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(OC(F)F)c1 642897798 GJBGXMOSVBLTTO-MVWJERBFSA-N 448.354 5.558 30 20 IKED C=CCn1c(S[C@@H](C)c2nc3ccccc3n2C(F)F)nc2sc(C)c(C)c2c1=O 648067063 NXHYUOVRYHAQEM-ZDUSSCGKSA-N 446.548 5.859 30 20 IKED C=CCC[C@@H](NC(=O)N1CC[C@@]2(C1)C(=O)Nc1ccccc12)c1ccc(C(F)(F)F)cc1 681657391 DIGSCNGVCDOAIX-XXBNENTESA-N 443.469 5.018 30 20 IKED CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OC(C)C)cc1 726414399 APHJSFRJHAAQEW-OAQYLSRUSA-N 439.581 5.071 30 20 IKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc3ccccc3o2)cc1 726570868 MSFAGMGOXNVRKH-UHFFFAOYSA-O 446.939 5.877 30 20 IKED COc1ccc(/C=C2/CCc3nc(-c4ccc(F)cc4)sc3C2=O)cc1OCCCC#N 727685630 VCEKEGOIBVXUOH-JXAWBTAJSA-N 448.519 5.853 30 20 IKED Cc1cc(C(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)c(C)n1-c1ccc(C#N)cc1 728274061 SVTWVIXAFFZCDD-BVAGGSTKSA-N 427.548 5.206 30 20 IKED CCCOc1c(Cl)cc(/C=C/C(=O)c2ccc(C(F)(F)F)nc2O)cc1OCC 731564425 DYSFZCONERGGDV-FNORWQNLSA-N 429.822 5.543 30 20 IKED C[C@H](OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C(=O)Nc1c(F)cccc1F 732377463 NIEWODJCAGHJGW-HNNXBMFYSA-N 436.414 5.007 30 20 IKED O=C1/C(=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)COc2ccc(Br)cc21 733084332 ZYKHWMHSYXOGKR-SDQBBNPISA-N 443.278 5.140 30 20 IKED N#Cc1cc(S(=O)(=O)Nc2nc(-c3ccccc3C(F)(F)F)cs2)ccc1Cl 735608390 GTPXVEDXVANNHC-UHFFFAOYSA-N 443.859 5.155 30 20 IKED C[C@H](C#N)Oc1ccc(/C=C2\CC(C)(C)C/C(=C\c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1 736433622 HRVHRSABEOSHIT-BSDFXCPASA-N 440.543 6.124 30 20 IKED CC(C)(CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)NC(=O)OC(C)(C)C 739515441 UHFQSWKHAGPRHI-LJQANCHMSA-N 441.959 5.627 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\CCc3cc(F)ccc3C2=O)cs1 747440539 QNQFGXKEPHHURG-RVDMUPIBSA-N 426.900 5.833 30 20 IKED Oc1c(Cl)cc(Cl)cc1/C=N\C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 749749099 VFMLJFUCEJIPPZ-ZKQOIDNVSA-N 447.284 5.210 30 20 IKED CC(=O)Nc1cccc(C(=O)/C=C\c2cnc(-c3ccc(Br)cc3)s2)c1 751526968 PTQURTKLWPYLBN-KTKRTIGZSA-N 427.323 5.427 30 20 IKED Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)[C@H](C#N)c2nc(C)cs2)cc1 757874796 TZAYBCDIBAHYME-IBGZPJMESA-N 429.570 5.969 30 20 IKED N#C[C@@H](C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)c1nc(-c2ccccc2)cs1 762069444 RJLAPXRIIHZSNJ-KRWDZBQOSA-N 434.908 5.323 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)s2)cc1 764304509 YLKZCKJSMUSLRZ-UHFFFAOYSA-N 442.884 5.203 30 20 IKED C=CCn1c(SC[C@H](O)c2cccc(Br)c2)nnc1-c1ccccc1C 764703779 HKULICVORRJIDK-SFHVURJKSA-N 430.371 5.028 30 20 IKED C=CCn1c(SCc2cc3ccc(SC)cc3nc2Cl)nnc1-c1cnccn1 765361634 XIERCGBPAZCSBB-UHFFFAOYSA-N 440.985 5.137 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 765451633 BHXZQZVRQVBUKO-ZWKOTPCHSA-N 445.629 5.550 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OC[C@H]2CCO[C@H]2c2ccccc2)cc1C 769338309 BDGIEURCTDCDLU-RDGATRHJSA-N 429.520 5.015 30 20 IKED C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(-c2ccc(Br)cc2)s1 772957872 CEGUWHDIOHUOGI-OAHLLOKOSA-N 427.367 5.931 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3C[C@H](O)c3ccc(F)cc3)cn2)cc1 773263018 OLGUNAQATRUQDY-GMAHTHKFSA-N 446.482 5.005 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN(CCC)[C@@H]2CCCc3cccnc32)c1=S 774614685 VUZZFEYJFZULAK-OAQYLSRUSA-N 434.613 5.194 30 20 IKED COc1cc2c(cc1NC(=O)CSc1nc3c(cc1C#N)CCCC3)oc1ccccc12 775032614 GLDBOAMQHWXPPX-UHFFFAOYSA-N 443.528 5.471 30 20 IKED N#CC1(c2ccc(C(=O)OCC(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)cc2)CC1 777172673 VWSXLYCAJAOUGG-FQEVSTJZSA-N 443.330 5.069 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)ccc1OC 779102662 WEFZMNLYJMYQTH-WIOPSUGQSA-N 438.930 6.048 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(O)(c3c(F)cccc3F)CC2)cc1 779248852 ZYOWAVUDQRKFQT-UHFFFAOYSA-N 448.469 5.061 30 20 IKED CC1(C#N)CCN(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2C(F)(F)F)CC1 780559716 FNTPLKADTOGHIQ-UHFFFAOYSA-N 426.439 5.210 30 20 IKED N#C[C@@H](C(=O)Cc1cccc(N2CCCC2=O)c1)c1nc(-c2ccc(Cl)cc2)cs1 786311873 NUIDNBFXAGRUFV-IBGZPJMESA-N 435.936 5.009 30 20 IKED CCc1ccc([C@H]2CN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CCO2)cc1 792229550 SANAEAVVTXSJHQ-IZZNHLLZSA-N 425.532 5.510 30 20 IKED Cc1cc(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c(C)n1[C@@H](C)c1ccccc1 804627088 BRODFCBRMIBSMN-IBGZPJMESA-N 445.538 5.409 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\Sc3cc(C)ccc3C2=O)cs1 806557583 DTAYLYFICCWKLH-GRSHGNNSSA-N 426.950 6.119 30 20 IKED N#CC1CCC(CNC(=O)N[C@@H](c2c[nH]c3ccccc23)C(Cl)(Cl)Cl)CC1 806681550 ZXGWTJCDPVQSHG-FVKWTLKZSA-N 427.763 5.208 30 20 IKED FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1noc(C[C@@H]2CCC(F)(F)C2)n1 809489792 VVYYYIFYALXGHW-QMMMGPOBSA-N 431.283 5.069 30 20 IKED CC(C)(C(=O)NCc1cc(C#N)ccc1F)c1csc(-c2c(F)cccc2Cl)n1 810447786 QOGRUWJBCKPYTE-UHFFFAOYSA-N 431.895 5.207 30 20 IKED COc1ccc(N2C(=O)/C(=C\c3ccc(C#N)cc3C(F)(F)F)SC2=S)cc1F 811624436 FAYDYDKQQGQMMM-FRKPEAEDSA-N 438.427 5.131 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CCCCC#N)c1nc(-c2sccc2Br)no1 904896121 XLHVYKMSZFTTCE-LBPRGKRZSA-N 441.351 5.210 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)/C=C\c2ccc3ccc(Cl)cc3n2)c1 912874609 XOLSDOHVKCQLCR-HJWRWDBZSA-N 447.922 5.008 30 20 IKED COc1cccc(-c2nn(CN(C)Cc3ccc(C#N)cc3)c(=S)n2-c2ccccc2)c1 914783272 PQMZANGYAMHJRU-UHFFFAOYSA-N 441.560 5.040 30 20 IKED N#Cc1cccnc1Oc1ccccc1NC(=S)NCCSc1ccc(Cl)cc1 916001211 XYDOVNZANSUZRO-UHFFFAOYSA-N 440.981 5.478 30 20 IKED CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916887950 QHMLAZHKBUCSAY-ZESCBINXSA-N 438.540 5.126 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl 916910003 OYHSFUIHOUOEKE-CQSZACIVSA-N 430.316 5.387 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)COC(c2ccccc2)c2ccccc2)cc1 916954182 GHTRPMXRQZVDMN-CJFMBICVSA-N 440.543 5.654 30 20 IKED COc1ccc(Nc2nc(Cl)c(C=NNc3ccc(Cl)c(C(=O)O)c3)s2)cc1 917031384 SDTMWKXDXWJWLJ-UHFFFAOYSA-N 437.308 5.346 30 20 IKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2cc(C)ccc2C)c2ccccc2c1=O 917458228 WSCRQIKCVXZRBX-UHFFFAOYSA-N 436.559 5.422 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(C(F)(F)F)cc2)cs1 917560826 ZAYPHUDTFCMKEO-XFXZXTDPSA-N 430.451 6.051 30 20 IKED Cc1ccsc1CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc2ccccc2c1 917700214 HRUVIKSQZYGZOO-HXUWFJFHSA-N 449.601 5.010 30 20 IKED FC(F)(F)Oc1ccc(NC(=S)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 918722050 VMOMQFROKVVGTE-RKDXNWHRSA-N 440.331 5.345 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(OCC#N)c1 920022828 AFUXHHHEEHRKOC-CQSZACIVSA-N 427.913 5.158 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(NC(=O)OC(C)(C)C)c3)n2)cc1 920138467 GZEHFQDIQSZEJR-LJQANCHMSA-N 449.532 5.656 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)cc3)CCC2)cc1 1785937348 VTQYXDICVQYPLG-UHFFFAOYSA-N 429.442 5.003 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cccc4cccnc34)cc2)CCC1 1788913618 QHMYDTFNTCVZSF-UHFFFAOYSA-N 425.532 5.176 30 20 IKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](S)C(C)C)CCC3)cc2)c(Cl)c1 1792143143 XEORENMRNMYJGJ-HXUWFJFHSA-N 447.000 5.051 30 20 IKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@]4(C)C[C@@H]4C)CCC3)cc2)cc1C#N 1792168962 RRFYAOQOTKNEQD-HFJWLAOPSA-N 445.563 5.139 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)sc1Cl)C2 1798333555 APQYNCLCILWMQH-XGUBFFRZSA-N 427.397 5.075 30 20 IKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC(C)(C)C)n[nH]1)c1ccccc1 1816761556 LXPYTFUPZNQEKL-IRLDBZIGSA-N 434.584 5.035 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cccc(F)c3s2)n[nH]1 1818596257 AERBXNBJDXSRKX-KDOFPFPSSA-N 440.544 5.282 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nc(C(C)C)cs2)[nH]n1 1819303735 NQSAMWGOPDWISF-VQIMIIECSA-N 441.601 5.064 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(C(F)(F)F)CCC2)[nH]n1 1819553711 SNHQBFANVGRZCA-MRXNPFEDSA-N 440.510 5.127 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3cc[nH]c23)[nH]n1 1819554595 JVVJIHAVJCMIJM-HXUWFJFHSA-N 433.556 5.189 30 20 IKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4ccccc34)[nH]n2)c1 1820485383 JKVXVSJZEDQCIO-XMMPIXPASA-N 449.514 5.054 30 20 IKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)CC1 1828356425 GKIMOSXIZFGXTJ-LECGRMGRSA-N 446.591 5.259 30 20 IKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccsc2)CC1)c1ccccc1 1829030805 TWRCYTRELJXEIX-DQEYMECFSA-N 448.632 5.179 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCc3ccccc32)CC1 1831979323 VCFLQZPUBAJLDZ-ARMFNRFLSA-N 434.624 5.105 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)c1ccc3c(Cl)cc(C)nc3c1)C2 1841057836 GNSURRZKDBODTN-UHFFFAOYSA-N 439.987 5.006 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1cccc(C)c1 10146466 PLHQCUUFBNOCPZ-UHFFFAOYSA-N 432.471 5.189 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)=C(/S)Nc1cc(C)cc(C)c1 22730251 CRTGOLQIMRIVRU-UHFFFAOYSA-O 448.568 5.421 30 20 IKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)nnc1C1CC1 24834049 PMFDIVVSEBSFOQ-UHFFFAOYSA-N 439.610 5.392 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)NCc2csc(-c3ccccc3)n2)cc1 32057912 AAYHJFORGHONSG-UHFFFAOYSA-N 425.513 5.191 30 20 IKED CC(C)c1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cnn1-c1ccccc1 32290965 NLNNMUDIFVJVND-UHFFFAOYSA-N 436.515 5.699 30 20 IKED O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(N2CCOCC2)cc1 57825636 MKJRWSBMNJIQAH-JYRVWZFOSA-N 446.934 5.325 30 20 IKED Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 97404275 YWIHRAPWFKMDGX-UHFFFAOYSA-N 435.789 5.369 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)cc(OC)c1OC 107625520 MARVUCRYESOVKM-UHFFFAOYSA-N 440.515 5.343 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1Cl 107654732 HWRNXPAAULOSCZ-SFHVURJKSA-N 433.920 5.292 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2C)cc1 116552920 TULCUMUVFIYAOM-UHFFFAOYSA-N 427.382 5.334 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 303373562 KQBWVJBPVGMNOR-CVDCTZTESA-N 427.573 6.118 30 20 IKED CCSc1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)ccn1 429355192 FVKJGXLVTVXYJU-UHFFFAOYSA-N 434.521 5.188 30 20 IKED Cc1ccc2nc(COc3ccccc3C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)cn2c1 430578184 AHTCALZEYOCNBS-IBGZPJMESA-N 444.560 5.466 30 20 IKED C[C@@]12CCN(C(=O)Nc3cc(C(F)(F)F)ccc3SCC(F)F)C[C@H]1C2(F)F 432961355 SFTBKXMJCHBJKQ-IUODEOHRSA-N 430.389 5.572 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC2(CCN(Cc3ccccc3)CC2)C1 433147998 PUHUJYNAKDPSNB-OAQYLSRUSA-N 448.636 5.601 30 20 IKED COc1ccccc1-c1nnc(SCCC(C#N)(c2ccccc2)c2ccccc2)o1 434643479 QIZFBXVMXDPYDL-UHFFFAOYSA-N 427.529 5.737 30 20 IKED N#CCCSc1ccccc1NC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1 435364799 RQDSKIRQUPSSIQ-UHFFFAOYSA-N 448.331 5.818 30 20 IKED CC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1c(C)nn(C)c1C 437964516 PTDQUBUREHMRSZ-QFIPXVFZSA-N 431.540 5.069 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@@H](c2ccc(F)cc2)O1 438048369 HIQPGPNZAVGXKN-OSPHWJPCSA-N 431.467 5.484 30 20 IKED COc1ccccc1[C@H](C)NC(=O)[C@H](C)Nc1ccc(Oc2ccccc2C#N)c(F)c1 439677123 WGQDCABFRXFJKL-IRXDYDNUSA-N 433.483 5.176 30 20 IKED COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Nc1ccc(Oc2ccccc2C#N)c(F)c1 439677124 WGQDCABFRXFJKL-SJORKVTESA-N 433.483 5.176 30 20 IKED COc1ccc([C@@H](NCc2ccc(C#N)c(OC)c2)c2ccccc2)cc1Br 440812215 JAGVBJFMFPDBOR-QHCPKHFHSA-N 437.337 5.217 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cn4cc(Cl)cc(Cl)c4n3)n2)cc1 442504519 FLLYGLWSOLCWDL-CQSZACIVSA-N 443.315 5.263 30 20 IKED Cc1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1NC(=O)c1ccncc1 444057025 SAEDBPISNFJUPL-UHFFFAOYSA-N 437.503 5.153 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 448403989 APDUFOFSTWIYCA-CJFMBICVSA-N 430.552 5.140 30 20 IKED C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC2(CCOCC2)CC1 460947711 SSCBHDVLDSGBOE-UHFFFAOYSA-N 449.624 5.350 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N(C)S(=O)(=O)c2ccc(Cl)cc2C#N)cc1 462499210 DIKHTLIDEJOIJJ-INIZCTEOSA-N 440.952 5.269 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(Br)cn1C(C)C 463101007 BECOZZAIRNYVFC-UHFFFAOYSA-N 439.313 5.451 30 20 IKED CC(C)N(CCOc1ccc2cc(Br)ccc2c1)C(=O)NCCCCC#N 465888133 HZWXNMAMXHHHFI-UHFFFAOYSA-N 432.362 5.095 30 20 IKED COC(=O)[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 466241526 QKWLJMBLEJXGIO-VXKWHMMOSA-N 447.922 5.074 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N 468660771 JCAWOMGRONTTMA-LAUBAEHRSA-N 434.323 5.024 30 20 IKED CC[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(Br)c1 469153937 XMSNSTTWJXGMKL-HXUWFJFHSA-N 426.358 5.595 30 20 IKED CC(C)[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(C(F)(F)F)c1 469356688 PLYFWUAEZKHGBQ-QHCPKHFHSA-N 429.486 6.098 30 20 IKED CCc1c(C)sc(NC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)c1C#N 470905508 GPOFNGRWMINFRN-UHFFFAOYSA-N 449.363 5.809 30 20 IKED N#Cc1ccc(-c2nnc(CNc3ccccc3C(=O)Nc3ccc(F)cc3Cl)o2)cc1 471613649 JSCSHAHYZNXGEQ-UHFFFAOYSA-N 447.857 5.265 30 20 IKED CN(C(=O)c1ccc(Cl)c(NC(=O)c2ccc(C(C)(C)C#N)cc2)c1)c1ccccc1 476075505 RJIOUSNQPLEWGJ-UHFFFAOYSA-N 431.923 5.670 30 20 IKED C=C(C)[C@H](NC(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1)c1ccc(F)c(F)c1 477746804 UDUOCLCSTOBKER-NRFANRHFSA-N 434.433 5.165 30 20 IKED CN1Cc2cc(NC(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)ccc2NC1=O 478972866 PANOAQVOSVGGHD-UHFFFAOYSA-N 432.867 5.234 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(Cc3ccccc3)no2)nnc1-c1cccc(Cl)c1 481393274 PCZYCEFLCFYJPD-HNNXBMFYSA-N 437.956 5.612 30 20 IKED Cc1ccnc(N2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)c1 483047485 GXKJMUIXXDDFCV-QFIPXVFZSA-N 445.954 5.053 30 20 IKED N#C[C@@H](C(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)c1nccc2ccccc12 483238263 RCFQWSKDVAKYTQ-OAQYLSRUSA-N 434.524 5.698 30 20 IKED CCn1c(NC(=O)c2c(-c3ccc(C(F)(F)F)cc3)noc2C)nc2cc(C#N)ccc21 485658372 CXOOJKIAYFIZPR-UHFFFAOYSA-N 439.397 5.162 30 20 IKED C=C(C)Cn1c(S[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccncc1 489385305 DLRGKRVGUDNFOX-CYBMUJFWSA-N 448.379 5.342 30 20 IKED CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1 490174581 RLIJJEBPVOWUJS-UHFFFAOYSA-N 434.883 5.390 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 490779282 AXVROGDBINQUOG-IRXDYDNUSA-N 447.354 5.903 30 20 IKED C=CCn1c(SCC(=O)NCCC2CCCC2)nnc1-c1ccc(Cl)cc1Cl 491520596 GQGYKTDCZFGQGL-UHFFFAOYSA-N 439.412 5.227 30 20 IKED N#C[C@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccc(Br)cc1 499431685 LUDUFSTWZMSFRE-INIZCTEOSA-N 425.307 5.065 30 20 IKED N#Cc1cc(C#N)c(SCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)nc1N 501312275 OBAJMQRNDIUITG-UHFFFAOYSA-N 442.935 5.206 30 20 IKED Cc1nc(CSc2ccccc2C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cs1 503857529 MTJUVOIPZQCYEB-UHFFFAOYSA-N 431.586 5.545 30 20 IKED C=CCCc1ccccc1NC(=O)N(C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 505038134 HFYQTWBYIWALOV-UHFFFAOYSA-N 449.576 5.270 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCOC[C@@H]1c1nc2ccccc2s1 505310355 KCJCQJAGQAKJFY-CRAIPNDOSA-N 438.578 5.153 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(F)cc3OCC(F)(F)F)cc2)cc1 505551693 WVAFYPQPJPGDIF-UHFFFAOYSA-N 444.384 5.877 30 20 IKED C=CCC(C)(C)C(=O)Nc1cc2c(cc1Br)CN(C(=O)C(C)(C)CC=C)C2 506072834 SMKXKYZCANGNHZ-UHFFFAOYSA-N 433.390 5.434 30 20 IKED C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc([N+](=O)[O-])c1 509906477 ZNEPVBBCDOBBEB-QGZVFWFLSA-N 430.464 5.123 30 20 IKED COc1cc(CNC(=O)c2ccccc2-c2ccccc2C#N)ccc1OCc1cccnc1 512746431 HXYPIFLCLXSUQA-UHFFFAOYSA-N 449.510 5.138 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccc(C#N)cc2)c(OC)c1 512957495 QDPDPWAKDUPOIL-UHFFFAOYSA-N 425.488 5.295 30 20 IKED Cc1cc(C(=O)CCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(C)s1 515576936 CBZZZIABBALDQS-UHFFFAOYSA-N 432.545 5.612 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(OCC(F)(F)F)cc2)cc1 515648983 DUAOSEMQJGITQZ-UHFFFAOYSA-N 440.421 5.525 30 20 IKED N#Cc1c(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)sc2c1CCCCCC2 515677688 RMSQNVYYQKPKMM-UHFFFAOYSA-N 441.560 5.324 30 20 IKED Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)c1ccccc1Oc1ccccc1C#N 516341006 GZMCGNNEKHUDMW-UHFFFAOYSA-N 436.471 5.839 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 517473819 VCULDESLXYWPBW-PXNSSMCTSA-N 427.545 5.291 30 20 IKED Cc1nc2ccccc2n1Cc1cc(NC(=O)CCc2ccc(C#N)cc2)ccc1Cl 518411395 SOGWXPABNMKPIC-UHFFFAOYSA-N 428.923 5.489 30 20 IKED CCN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 520601304 MRKHFYUOKXYCJA-JOCHJYFZSA-N 429.476 5.044 30 20 IKED CCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@H]1CCOC(C)(C)C1 520661936 KRMBVWZQJHYRPG-PZJWPPBQSA-N 425.960 5.807 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCC1CCN(Cc2cccs2)CC1 524565616 BAHZXCVRVVMEEO-KRWDZBQOSA-N 428.627 5.034 30 20 IKED CCCC(C#N)(CCC)NC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 532151946 VKCCVGLTHOTEGQ-UHFFFAOYSA-N 435.952 5.694 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 537626517 VSNNQBBTXVSBQY-KAYWLYCHSA-N 433.559 5.265 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N(Cc2ccco2)Cc2cccs2)cc1 538110639 JEGVGBCAVLHRGM-UHFFFAOYSA-N 427.529 5.792 30 20 IKED Cc1cc(C)cc(-n2nc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2C)c1 538578508 KNFPPYFXTMSYSO-NRFANRHFSA-N 437.528 5.283 30 20 IKED CC(C)OCCOCc1cccc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1 539127634 NCMNHHDTINSXIV-UHFFFAOYSA-N 443.547 5.489 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 539151683 QTNOKRMTULVQDM-CFSSXQINSA-N 433.936 5.525 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc1 539208480 HKFQVMXOVMLTRF-QFIPXVFZSA-N 431.561 5.178 30 20 IKED CC[C@H]1CCc2sc(-c3nnc(SCCCC4(C#N)CCOCC4)n3C)cc2C1 539512496 UTMMYEPDKZXOFA-INIZCTEOSA-N 430.643 5.251 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 541636210 OMLQZLMOQKHGIU-NQIIRXRSSA-N 437.433 5.402 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CC1 548774871 UUYBEXMRPADBQP-UHFFFAOYSA-N 435.449 5.465 30 20 IKED N#Cc1cc(-c2nc(Cc3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)no2)ccn1 554800660 BTFGUXGBVNAFBU-UHFFFAOYSA-N 438.878 5.100 30 20 IKED C[C@H]1CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)CCC1(F)F 554925143 AHNXXWSFISXBCJ-NSHDSACASA-N 444.429 5.133 30 20 IKED N#Cc1ccc(C[C@@H](C#N)c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)cc1 557513216 CXTYWLDRWHEOBQ-AWEZNQCLSA-N 436.315 5.496 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCC1(c2cccc(Br)c2)CC1 564042423 UJFGOAROPVMFEM-OAHLLOKOSA-N 444.398 5.554 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)cc1C 572887030 HYNTUPFYDVHEAJ-GMAHTHKFSA-N 426.564 5.407 30 20 IKED N#Cc1ccc(C2(c3nc(-c4ccc(Br)cc4OC(F)F)no3)CC2)cc1 589137222 WGHHUFFKVVXQHA-UHFFFAOYSA-N 432.224 5.052 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)C3(c4ccc(Br)cc4)CC3)s2)cc1 602226985 DYLDKEFSLOFWKL-UHFFFAOYSA-N 438.350 5.038 30 20 IKED N#Cc1ccccc1CSCCNC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 603549596 YOAJEQFKMICIQR-OAQYLSRUSA-N 425.554 5.081 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3cccs3)C[C@@H]3CCCO3)cn2)c1 603692264 FINIPWKCPOXFEN-FQEVSTJZSA-N 434.521 5.020 30 20 IKED COC(=O)c1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 603746475 XJBARLQALKJITR-NRFANRHFSA-N 433.895 5.104 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@H](c2ccc(F)cc2)c2cccs2)o1 603833049 TZSBWSHZINPTPR-HSZRJFAPSA-N 432.476 5.450 30 20 IKED CN(Cc1ccc2ccccc2c1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604464691 JFBAHLMDHJJWJX-UHFFFAOYSA-N 435.483 5.101 30 20 IKED O=C(Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1)c1ccncc1F 607293317 KAIBYVXWLXNNBN-UHFFFAOYSA-N 449.351 5.558 30 20 IKED CCC(=O)N[C@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1 608958912 MKUQGUIYTUSHET-QHCPKHFHSA-N 433.895 5.210 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cn1c(Cc2ccccc2)nc2ccccc21 609369977 VMPNYJATJFSYIU-LJQANCHMSA-N 440.572 5.660 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1ccn(-c2cccc(F)c2)n1 609389680 XZBBLJVIBSLUFB-MRXNPFEDSA-N 440.569 5.135 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 609404854 VBNZVTDMUDCVMZ-BTYIYWSLSA-N 441.984 5.188 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](c1ccccc1)c1cccc2ccccc12 609507473 LWKZAWZQSAKOJD-NDEPHWFRSA-N 436.559 5.405 30 20 IKED Cc1csc(Nc2ccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cc2)n1 609521385 YFFATIJOPDSIBJ-UHFFFAOYSA-N 430.489 5.491 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)cc1C 609533030 VMZDPPRXMHPRPZ-OAQYLSRUSA-N 432.955 5.364 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1 609630018 LFYYHKJCUGZMCN-XMMPIXPASA-N 435.527 5.638 30 20 IKED COCCSc1ccc([C@H](C)NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1 609644087 SWJLNSJFJQJQHH-IBGZPJMESA-N 446.572 5.367 30 20 IKED N#Cc1ccc([C@H](Nc2ccc(Oc3ccc(Cl)cc3Cl)c(F)c2)C(N)=O)cc1 609676513 KADYLAPGACBLRV-FQEVSTJZSA-N 430.266 5.435 30 20 IKED COc1cc(CSc2nnc(-c3ccc(F)cc3)o2)ccc1OCc1cccc(C#N)c1 609721942 HQCOYBVTERYBTL-UHFFFAOYSA-N 447.491 5.627 30 20 IKED COC(=O)C[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1cccs1 609723007 TVIFXDFLRNOBKN-SFHVURJKSA-N 440.908 5.100 30 20 IKED Cc1oc(-c2ccsc2)nc1CC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N 609905977 KHQNLPKFLWCUJM-UHFFFAOYSA-N 447.947 6.013 30 20 IKED C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 611556517 QSCBTXXOHRKKKY-LPHOPBHVSA-N 431.458 5.526 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCc2c(Br)ccc(F)c2C1 612571922 LYWNGKNHQVASBB-ZDUSSCGKSA-N 448.361 5.430 30 20 IKED CCc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnn1-c1ccccc1 613403417 CXOMAZPMRDOGPK-HNNXBMFYSA-N 440.450 5.553 30 20 IKED O=C(c1ccc(Oc2ccc(F)cc2)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618301338 NOUGVWPNWWXTOF-KBPBESRZSA-N 435.339 5.821 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618540534 RRBWAXWBUQMYPC-UWVGGRQHSA-N 438.290 5.222 30 20 IKED COc1ccc(Cc2nc(C)c([C@H](C)N[C@H]3CCc4cc(C#N)ccc43)s2)cc1OC 618802565 FITXRFWFYCJINY-BTYIYWSLSA-N 433.577 5.269 30 20 IKED Cc1c(CN(C)C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)cnn1C 619205300 OZWCUCKFJVMTAW-UHFFFAOYSA-N 443.429 5.075 30 20 IKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2)C(=O)N1C1CCCC1)c1cccs1 726419663 GHVIQJSYRIHEJG-OBESFDLISA-N 427.595 5.081 30 20 IKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc2c(s1)-c1ccccc1C(C)(C)C2 726858363 KEMNSOPJTLYWQJ-KRWDZBQOSA-N 430.529 5.219 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2c(N3CCCC3)cccc2N2CCCC2)cc1OC 727747320 BSBVAZYOMJELPZ-WYMLVPIESA-N 447.579 5.112 30 20 IKED C[C@@H](NC(=O)CNc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccs1 728051999 XKKNNTMKEBFXHD-OAHLLOKOSA-N 425.941 5.141 30 20 IKED CC[C@@H](C)n1c(-c2ccccc2)nn(CN2CCC(Oc3ccc(C#N)cc3)CC2)c1=S 728903501 QCPHJNQVKIGGCK-LJQANCHMSA-N 447.608 5.425 30 20 IKED CCCN(CC)C(=O)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc([C@@H](C)CC)cc2)cc1 729187349 AOARHQXUQGQFPJ-FDDCHVKYSA-N 433.552 5.033 30 20 IKED CC(C)c1cc(=O)oc2cc(OCC(=O)Nc3ccccc3S[C@H](C)CC#N)ccc12 730953255 AXRCBTHAJYOYGF-MRXNPFEDSA-N 436.533 5.328 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc3c(s2)-c2ccccc2CC3)ccc1OC 733232614 VSYQICKSIBFYCS-IBGZPJMESA-N 432.545 5.133 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc(C)n(-c3ccccc3C)c2C)ccc1OC 733276931 IORRGQKPMMNFIC-NRFANRHFSA-N 431.536 5.022 30 20 IKED C[C@@H](NC(=O)CSCc1cc(Cl)ccc1OCC#N)c1ccc(Cl)cc1Cl 735317459 AEUSXALGPMXHPT-GFCCVEGCSA-N 443.783 5.660 30 20 IKED N#C[C@@H](C(=O)CCc1cc(Cl)cs1)c1nc(-c2ccc(Cl)cc2Cl)cs1 737323940 YHHKZELXQPNCLN-AWEZNQCLSA-N 441.792 6.641 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](O)c2c(F)cccc2F)cc1Cl 741060894 MMYYZANHWPHUQH-UWJYYQICSA-N 441.865 5.129 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H]1CCCc2nc(-c3ccccc3)sc21 741196126 WCCJJJAEEUULDN-OAQYLSRUSA-N 434.565 5.091 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2c(C)n(C3CCCC3)c3ccc(OC)cc23)c1 741695701 GNJBHQZTSGLLOJ-OAQYLSRUSA-N 445.563 5.684 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 742890391 RMSBDOZPXKBADT-JTSKRJEESA-N 437.540 5.186 30 20 IKED CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 745055089 VHGGHWXJUQDFEO-FNZWTVRRSA-N 426.516 5.270 30 20 IKED CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cc(C#N)cs2)NC(=S)N1c1ccccc1 747959536 AINPASOIJCYXGO-QFIPXVFZSA-N 444.585 5.277 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1cc(Cl)c(N)c(Cl)c1 754704257 ARSDLJMTZJVESZ-UHFFFAOYSA-N 441.244 5.283 30 20 IKED COc1ccc(C(=O)CCCCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 760197401 WYVZVKVREMUPHC-KRWDZBQOSA-N 426.925 5.578 30 20 IKED CC(C)[C@H](NC(=O)OC(C)(C)C)c1noc(-c2ccc(COc3ccccc3C#N)o2)n1 762027374 QQLQNLKCPTYVRG-IBGZPJMESA-N 438.484 5.002 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)CCO2)c1 762311395 AENXNQFNLJLZKG-XMMPIXPASA-N 443.890 5.089 30 20 IKED N#C[C@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)C(=O)Nc1cccc2ccccc12 769946360 SDZQNYOODHXEMI-LSCADSNKSA-N 442.824 5.786 30 20 IKED C[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1ccccc1OCc1ccccc1 775207080 QTQTVFDLAJKGAY-XXBNENTESA-N 448.526 5.153 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 778292956 AQVNXFLSKQPRLT-WBMJQRKESA-N 432.471 5.166 30 20 IKED N#Cc1ccc(CN[C@H]2CCCc3nc(-c4ccc(Br)cc4)sc32)nc1 783294102 MJKBUMMOUWPGOF-KRWDZBQOSA-N 425.355 5.006 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)N[C@H]1CCc2cc(C#N)ccc21 787328023 WUZYKVFBXAFUQC-PKTZIBPZSA-N 446.551 5.269 30 20 IKED C#CCn1ccc(CN(CC)C(=O)N[C@H](c2ccc(CCCC)cc2)c2cccs2)n1 788857597 VTLUNUDSGPRPGU-XMMPIXPASA-N 434.609 5.242 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccsc2)N(CCc2ccsc2)C1=O)Nc1ccccc1 790735683 JJQXAZQCMOBIOF-SFHVURJKSA-N 441.603 5.013 30 20 IKED Cc1nn(C(C)C)c(C)c1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 796766648 XIBSWERASDZXFS-QGZVFWFLSA-N 447.391 5.930 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1 796779429 MEZNMNLZPUVIHZ-OAHLLOKOSA-N 425.504 5.199 30 20 IKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797570792 KPHUZGYDKZZNMJ-OAHLLOKOSA-N 430.371 5.412 30 20 IKED CC(C)C(=O)c1ccc([C@@H](C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 802045145 GONOYQLDTQCSHJ-CXAGYDPISA-N 444.478 6.134 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccc(F)cc2Cl)CC2CC2)c1 805113651 KGJJLZNLKKUBJR-FQEVSTJZSA-N 429.923 5.282 30 20 IKED CC[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(Cl)cc(Cl)c1O 806162435 XJHWXNGFZQYEJU-IBGZPJMESA-N 432.351 5.845 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cc(C(C)C)nn2-c2ccccc2)ccc1OC 810269122 UGMUUROLFREYEO-HXUWFJFHSA-N 447.539 5.007 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](NC(=O)c1cccc(CC#N)c1)CC(C)(C)O2 812356469 FSFNWMXOKYZTPH-HXUWFJFHSA-N 435.524 5.132 30 20 IKED Cc1nc(SCC(=O)OCc2coc(-c3cccc(Cl)c3)n2)c(C#N)c(C)c1C 914622425 HPWYGOXLVCLQAA-UHFFFAOYSA-N 427.913 5.022 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/C(=O)c1ccc(CC(=O)O)cc1 915105843 HASVSQSTXXZPMR-ZHACJKMWSA-N 429.303 5.070 30 20 IKED Cc1nc2sc3c(c2c(=O)n1N=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)CCCCC3 916273168 UIMFOEHRZZLQJX-UHFFFAOYSA-N 448.504 5.086 30 20 IKED Fc1ccc(Br)cc1C=Nn1cnnc1SCc1ccc(Cl)cc1 916546567 YVTZEQLXQSVGPW-UHFFFAOYSA-N 425.714 5.008 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(Oc3ccc(F)cc3F)CC2)cc1 916679617 ULXBIPXKKAOVGC-HSZRJFAPSA-N 447.485 5.696 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1 916956049 XLKFCHXVDQRSDK-VGOFRKELSA-N 449.551 5.186 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@@H](C)c2ccc(C)s2)c(C)c1 920173516 PRQQQZOZXLGAMO-JXFKEZNVSA-N 441.622 5.035 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc[nH]c2cc1Cl 1797612105 ORVDRCQQLADPIA-BCDXTJNWSA-N 427.976 5.066 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)cc1F 1803843729 OSYORKRJZFGQHU-BJWYYQGGSA-N 440.481 5.089 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)/C(C)=C/c3cccs3)CC2)C1 1804857724 VJQOJNACDRTBEF-CZIZESTLSA-N 428.642 5.375 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccc(C)cc3)C2)CC1 1810351342 PMYCKFQAOPYNIQ-JOCHJYFZSA-N 445.607 5.114 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c(C(C)(C)C)c2)n[nH]1 1816109918 BVDPPFRDOLSYFM-AZUAARDMSA-N 437.588 5.110 30 20 IKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCCCC(C)(C)C)n[nH]1 1822115044 VVPKUEXDRXDXQS-IBGZPJMESA-N 434.650 5.318 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)ccnc2Cl)CC1 1825365121 CZADXVNSQQVDFZ-LJQANCHMSA-N 449.998 5.100 30 20 IKED C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccc(Cl)cc1Cl 14133484 DIRSIUQRMXHHIP-UHFFFAOYSA-N 433.364 5.477 30 20 IKED Cc1ccccc1-c1nnc(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)o1 26013071 ZHKIEHNDPXSVOY-KRWDZBQOSA-N 432.530 5.137 30 20 IKED N#C[C@@H](C(=O)CSc1ncnc2sc3c(c12)CCC3)c1nc(-c2ccccc2)cs1 26022707 YOMPFFFFTFWMNM-HNNXBMFYSA-N 448.598 5.272 30 20 IKED Cc1ccc(C)c(OCc2nnc(SCC(=O)/C=C3\N(C)c4ccccc4C3(C)C)o2)c1 35550940 QWXMDWCHPYJNSN-XKZIYDEJSA-N 449.576 5.238 30 20 IKED CCOC(=O)COc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 63769350 DEVFUNCGYQNXHC-UHFFFAOYSA-N 446.528 5.045 30 20 IKED CCCCOc1ncccc1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1 63821523 RXPXHSPQHKARKZ-UHFFFAOYSA-N 431.561 5.354 30 20 IKED N#CCc1ccc(NC(=O)c2cc3cc(Br)cc(Br)c3o2)cc1 64385000 XQHNIZDKIXOILF-UHFFFAOYSA-N 434.087 5.276 30 20 IKED C[C@@H](C#N)CN(C)CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 64796118 UYUUQOYUWDIKLY-KRWDZBQOSA-N 438.984 5.088 30 20 IKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2Cl)o1)C(=O)Nc1cccc2ccccc12 105263225 VXBJYZJUFPRTOI-LJQANCHMSA-N 443.890 5.428 30 20 IKED N#Cc1ccc(CSCC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 107761236 QAMYMIMWTIFWON-QHCPKHFHSA-N 425.557 5.221 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccccc1Sc1ccccc1C#N 248032760 MNGVMTLLPCIJOM-UHFFFAOYSA-N 438.556 5.442 30 20 IKED Cc1cc(Cl)ccc1NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 255948680 UEWZAUHVXWVSNE-UHFFFAOYSA-N 435.936 5.503 30 20 IKED C=CCn1c(Sc2cc(-c3ccccc3)nc3ncnn23)nnc1-c1cccc(Cl)c1 301717905 OHHWHZBEYNUAFF-UHFFFAOYSA-N 445.939 5.040 30 20 IKED COc1ccc(OC)c([C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 302632930 FGFXMKKMCINLIT-KRWDZBQOSA-N 432.545 5.359 30 20 IKED Cc1cc(C#N)ccc1C(=O)Nc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C#N)cc1C)CCC2 410231858 IIGVCMMUHGAPFJ-SANMLTNESA-N 448.526 5.107 30 20 IKED C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)Nc1cc(C#N)ccc1OC(F)F 426754013 MWHYGLOYTMGQLD-LLVKDONJSA-N 433.867 5.481 30 20 IKED N#CCCC[C@@H](NCc1nc2cc(Cl)ccc2n1Cc1ccccc1)c1ccccc1 433012553 LAWCKGJWHBRHIC-HSZRJFAPSA-N 428.967 6.263 30 20 IKED N#Cc1ccc(CSc2nnc(-c3cccc(Br)c3)o2)c(OC(F)F)c1 439548223 YGQAONZXABGKLG-UHFFFAOYSA-N 438.253 5.264 30 20 IKED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N(Cc1cccs1)Cc1cccs1 443097256 KUPZJZPXPNTPRF-UHFFFAOYSA-N 442.509 5.091 30 20 IKED Cn1ccnc1[C@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 444858330 XZMXHZZNTMNYBB-GHTZIAJQSA-N 433.943 5.140 30 20 IKED COc1ccc(C2(NC(=O)Nc3ccccc3S[C@@H](C)CC#N)CCOCC2)cc1F 444904888 ISFIVJPBMYAMAE-INIZCTEOSA-N 443.544 5.056 30 20 IKED C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 460784047 QVODTUFFZNVEGL-LJQANCHMSA-N 446.536 5.381 30 20 IKED Cc1nn(C(C)(C)C)cc1[C@H](C)NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 464619854 FBVQGXZOTXVQNN-KRWDZBQOSA-N 438.620 5.031 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(Oc3ccccc3)ccn2)cc1 465072097 KNHZADRMWGDQRI-UHFFFAOYSA-N 435.483 5.771 30 20 IKED Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1 465886621 FUYSMDHFXCAQNR-IDABCOFVSA-N 447.579 5.024 30 20 IKED C[C@H]1C[C@@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CN1Cc1ccccc1 467694250 FHDVAKXDEPMJIM-GBXCKJPGSA-N 441.600 5.243 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCC[C@@H]3C[C@H]3C[C@H]4CC[C@H]3C4)ccc21 470546087 JXFNDEYGZQSOFW-SQXWHWBNSA-N 434.584 5.092 30 20 IKED CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 473204368 STGKXDXFMUNZLO-JOCHJYFZSA-N 435.568 5.119 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2coc3c(C)cc(Br)cc23)cc1 473702626 XZKVNKIEPDLIRW-UHFFFAOYSA-N 428.286 5.064 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)n1 474428765 DGWQPQIQUBKRGU-HNNXBMFYSA-N 428.508 5.653 30 20 IKED COC(=O)C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccc(F)cc1 475644936 AZXMDXSZBVKQCZ-QHCPKHFHSA-N 447.466 5.224 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(Cc3ccc(C#N)cc3)CC(C)C)c12 479900676 YIUYXCNITRTEOH-UHFFFAOYSA-N 443.595 5.542 30 20 IKED COCCN(Cc1cccs1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481682161 GCAAEXJIWAJYRR-UHFFFAOYSA-N 439.512 5.018 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F 483602217 QCGXJGCKOOZPHV-SFHVURJKSA-N 446.876 5.648 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NCc1ccc(C#N)c(F)c1 483685234 NOZMYWKKHUDVAT-LBPRGKRZSA-N 430.346 5.743 30 20 IKED Cc1ccccc1[C@H](C(C)C)N(C)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 485626591 CJZQNOPQNYTTJV-QHCPKHFHSA-N 446.551 5.187 30 20 IKED Cc1c(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)sc2ccc(Br)cc12 492948749 YUNGBUGVGDDECE-GOSISDBHSA-N 441.350 5.058 30 20 IKED CCN(C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccccc1F 498989562 GTAWUTRJWNBQFO-UHFFFAOYSA-N 439.327 5.375 30 20 IKED C[C@H](NCc1ccncc1OCC(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 503597973 NQOKGJGLXWRCGJ-JTQLQIEISA-N 446.313 5.911 30 20 IKED Cc1nc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)sc1SCC#N 504691737 JPBRUJRTIDICRO-UHFFFAOYSA-N 428.589 5.658 30 20 IKED N#C[C@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1cccc(C(F)(F)F)c1 505946679 AQRVEVOTJMOLSF-KRWDZBQOSA-N 433.817 5.327 30 20 IKED C[C@@H](Nc1ccc(Oc2ccccn2)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 506252942 GEWJDDCUKRXKNP-MRXNPFEDSA-N 432.549 5.515 30 20 IKED CSc1nnc(CCCNc2cc(C)c(C#N)c3nc4ccccc4n23)n1C1CCCC1 507100788 AXTDFWJUJKGALX-UHFFFAOYSA-N 445.596 5.141 30 20 IKED CCN(Cc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1)[C@@H](C)c1ccc(C#N)cc1 508604402 MKMYGBIESLTFSV-INIZCTEOSA-N 438.984 5.936 30 20 IKED C=CCn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](c2c(F)cccc2F)C1 508798566 UWEJQMNTYOCPAU-MRXNPFEDSA-N 442.535 5.037 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCc3c(Cl)cccc32)cc1 510918288 CZRXPJPQZBYSNZ-XMMPIXPASA-N 431.923 5.794 30 20 IKED CNC(=O)Nc1cc(NCc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)ccc1F 512856282 MIXFQCJCCGGRDF-HNNXBMFYSA-N 439.331 5.061 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 513954492 GAXUDFRNNIIFIW-UHFFFAOYSA-N 442.494 5.058 30 20 IKED C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H]1c1ccc(COC)o1 515010761 VNPRBPSURMTBJH-QFIPXVFZSA-N 429.524 5.069 30 20 IKED N#CCCCOc1cccc(NC(=O)[C@H](Sc2ccc(F)cc2F)c2ccccc2)c1 517981166 PUGAPIASADUXIX-HSZRJFAPSA-N 438.499 6.119 30 20 IKED Cc1ccc(OCc2nc(CC(=O)Nc3ccccc3SC[C@H](C)C#N)cs2)cc1 518143408 JTELZHVDBPTYDR-QGZVFWFLSA-N 437.590 5.464 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2oc3ccc(CCC(C)=O)cc3c2C)cc1 518476041 YXFVCSQCRPJTPY-UHFFFAOYSA-N 444.531 5.329 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1csc(-c2ccccc2Cl)n1 520929021 MXPYYXYUWUSOQU-AWEZNQCLSA-N 427.982 6.039 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1ccco1)c1cccc(Cl)c1 521928875 QUOAQKHTYCQWKH-QGZVFWFLSA-N 439.968 5.973 30 20 IKED C=CC1CCN(C(=O)Nc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)CC1 522085677 VIBPOPGBJPUCQS-UHFFFAOYSA-N 431.458 5.696 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(c2c[nH]c3ncccc23)CC1 523491000 QWXOXOSLXGLPIE-UHFFFAOYSA-N 429.442 5.166 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2c(F)cccc2Cl)cc1 523646155 VYEQVCRNQYETLO-UHFFFAOYSA-N 425.866 5.402 30 20 IKED Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)c12 523961134 BKAHYDSREDNADW-IBGZPJMESA-N 436.496 5.812 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c1 525004722 FVVUGRCZIZNOEK-UHFFFAOYSA-N 438.940 5.572 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCO[C@@](C)(c2ccccc2)C1 532107422 GNAXKRYPONHXQC-HHHXNRCGSA-N 441.531 5.225 30 20 IKED CC[C@@H](C)n1ncc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1C1CC1 534082601 WENMQPWCCFCWJT-GOSISDBHSA-N 428.536 5.629 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3Cl)c2)c1 537138109 XAHOPKQTIDVKIM-UHFFFAOYSA-N 443.812 5.735 30 20 IKED CCO[C@@H](C)c1nc(CN(C)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cs1 543016010 CPGATAIVWJIVFJ-ROUUACIJSA-N 448.592 5.682 30 20 IKED C[C@@H](NC(=O)CCCc1nc(-c2cccs2)no1)c1ccc(-c2cccc(C#N)c2)cc1 543857654 FRJDQDYXBGKLMC-QGZVFWFLSA-N 442.544 5.537 30 20 IKED CC(=O)N1CCc2c(NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cccc21 547398182 QLSMEIAJQSJPMX-OAQYLSRUSA-N 444.922 5.548 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ncsc1C(F)(F)F 549010671 TVCUCSRVDRACPY-UHFFFAOYSA-N 425.379 5.439 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](C)[C@H]2OCCc3sccc32)cc1 550008118 CVJBPPPJVGUTOR-NPMXOYFQSA-N 434.517 5.309 30 20 IKED CCCOc1c(Cl)cc(-c2noc(-c3cnc(C(F)(F)F)c(C#N)c3)n2)cc1OC 551330075 XCRJUIMVSBDEJW-UHFFFAOYSA-N 438.793 5.140 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC(C)(C)[C@@H]2c2cccs2)cc1 554173825 UTYMQSQHCLERBK-QFIPXVFZSA-N 433.533 6.036 30 20 IKED O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)NC1CC(C(F)(F)F)C1 554446568 LMHPKQBGCLUYGR-UHFFFAOYSA-N 437.315 5.494 30 20 IKED N#C[C@H](C(=O)c1cccc(-n2cccn2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 554733944 AWHZUOUOPHHEAR-QGZVFWFLSA-N 439.327 5.793 30 20 IKED CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Nc2cc(C(C)(C)C)sc2C#N)c1 556424648 FLTGGERIVAJUPW-UHFFFAOYSA-N 431.989 5.485 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@@](F)(c4ccccc4F)C3)c2)cc1 558773331 VTPFXFWRNCTQKV-SANMLTNESA-N 447.485 5.573 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NC[C@@H](OCC3CC3)c3ccc(Cl)cc3)cc2)nc1 560708360 GMQMUJSMMFCBLY-HSZRJFAPSA-N 447.922 5.297 30 20 IKED C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 560761653 QHTOQLXBFAFGKC-CQSZACIVSA-N 435.326 5.253 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC2(c3ccccn3)CCC2)cc1Cl 562101988 WNGKTADLJGMCFZ-NRFANRHFSA-N 430.939 5.634 30 20 IKED Cc1ccc(NC(=O)N2CCC(C)(C#N)CC2)cc1Oc1ncccc1Br 562622733 AUGIJKSSIKXEBT-UHFFFAOYSA-N 429.318 5.102 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1)[C@@H]1C[C@H]1C 566379958 XGWAAUYXJSXDJI-IQGLISFBSA-N 439.515 5.151 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCc4cc(Br)ccc4C3)cc2)ccn1 566827392 WCOHXMSEDNWJMF-UHFFFAOYSA-N 449.308 5.098 30 20 IKED Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(Cc2cc(F)c(C(F)(F)F)cc2F)C1 570708399 BIIBLAGESHQQJX-JTQLQIEISA-N 427.339 5.116 30 20 IKED C=CCN1CCC(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CC3)CC1 592068612 DALPTBFNXBMLIJ-ZCXUNETKSA-N 429.589 5.163 30 20 IKED Cc1noc(C)c1CSCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603759082 SXWCWNSCAHMZSS-LJQANCHMSA-N 425.941 5.472 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1nc(-c2ccc(Cl)cc2)cs1 603836664 XSJHZODBEQUSRG-GOSISDBHSA-N 449.879 5.047 30 20 IKED C[C@@H]1Sc2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2NC1=O 604003421 DNZKTGKGBJPFRB-INIZCTEOSA-N 443.528 5.017 30 20 IKED Cc1sc2nc([C@H](C)Nc3cccc(OCc4cccc(C#N)c4)c3)nc(O)c2c1C 604044589 XJEHSDWROIHQGV-HNNXBMFYSA-N 430.533 5.638 30 20 IKED Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604241789 NOIGVPSKWKZIGV-UHFFFAOYSA-N 440.459 5.182 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(C(=O)NC(C)C)ccc1Cl 606771839 WFKFGWIWQNXLBR-UHFFFAOYSA-N 440.849 5.314 30 20 IKED C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1cc2ccccc2n1CC#N 609216297 HVFYXIKQLYKGEV-IAGOWNOFSA-N 448.954 5.474 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCCO[C@H](c3ccccc3)C2)cc1 609253030 ZIMGPSRWUUVAHJ-VWLOTQADSA-N 443.503 5.355 30 20 IKED Cc1ccc(NC(=O)[C@@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1F 609387205 SJZZIUGHQROUPM-CYBMUJFWSA-N 425.451 5.598 30 20 IKED COc1ccc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC1CCCC1 609438905 NRDDKXYMIGLURA-QGZVFWFLSA-N 439.581 5.733 30 20 IKED C[C@@H](c1ccccc1)N1CCC(NC(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 609696077 CJIVQLHSEIYVCK-NRFANRHFSA-N 439.559 5.093 30 20 IKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 609987854 KSAVLSGQJHRZOH-BVAGGSTKSA-N 425.532 5.542 30 20 IKED N#Cc1cc(Cl)c(C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)c(Cl)c1 611093885 LXWOCAQHLHQJOP-UHFFFAOYSA-N 435.314 5.193 30 20 IKED C[C@H](NC(=O)COCc1nc2ccccc2s1)c1ccc(-c2cccc(C#N)c2)cc1 611791363 HBYGHKCYWSEEOJ-KRWDZBQOSA-N 427.529 5.229 30 20 IKED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1nc(-c2ccccc2)oc1-c1ccccc1 613126013 SFGCATFWKKASBD-UHFFFAOYSA-N 446.470 5.022 30 20 IKED C=CCc1cc(C(=O)Nc2cc(Cl)cc(Br)c2OC)cc(OC)c1OC 650659646 MRKAIWFLLBXPLV-UHFFFAOYSA-N 440.721 5.109 30 20 IKED COc1cc([C@H](C)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OC(F)F 675739035 UMALQRGZKIENGT-MVWJERBFSA-N 435.355 5.857 30 20 IKED N#C[C@H](C(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(SC(F)F)cc1 726319324 FXZNCSCKZNFYJN-CQSZACIVSA-N 443.302 5.588 30 20 IKED O=C1/C(=C\c2cccnc2Cl)CN(Cc2ccccc2)C/C1=C\c1cccnc1Cl 726363174 GNEIJYPCGVWMQX-AYRZQKSOSA-N 436.342 5.335 30 20 IKED Cc1ccccc1-c1nc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cs1 727627742 QGQHLBCMBWPPKQ-MRXNPFEDSA-N 430.316 5.387 30 20 IKED COc1ccc2c(c1)c(C(=O)NCc1ccc(OCC#N)cc1)c(C)n2C1CCCCC1 727858792 IVNDRNGZTYFNKK-UHFFFAOYSA-N 431.536 5.296 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 728767198 XIBVOAGHVZYFES-BVZFJXPGSA-N 437.499 5.825 30 20 IKED Cc1cc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c(C)n1[C@H](C)c1ccccc1 728877734 PJSGTXQZWZPFNL-HXUWFJFHSA-N 427.548 5.270 30 20 IKED N#C[C@@H](C(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1)c1nc2cc(F)ccc2s1 730422574 YUZRLRBNTFXGSS-INIZCTEOSA-N 432.442 6.142 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 731117535 VQMKVQUQVZRKOR-ROUUACIJSA-N 446.617 5.097 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Oc2ccccc2Br)cc1 732901427 RPFNFMZDVOERFT-DAYGRLMNSA-N 443.341 5.077 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)CCCc2ccc(Cl)c(Cl)c2)ccc1OC 733231957 LMHYFPHFQAHATK-QGZVFWFLSA-N 435.351 5.322 30 20 IKED Cc1cc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)c(C)n1[C@H](C)c1ccccc1 733253127 GNFIFTVUXPCDFW-OPAMFIHVSA-N 436.353 5.471 30 20 IKED N#CCCN(C(=O)CCC(=O)O[C@H](c1cccc(Cl)c1)C(F)(F)F)c1ccccc1 733697843 MILLFPHKOLSJMN-HXUWFJFHSA-N 438.833 5.214 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)CCc3ncc(-c4ccccc4Br)o3)[nH]c12 735788373 JEYLCVGTNSSXBC-HNNXBMFYSA-N 449.308 5.098 30 20 IKED CCOc1c(Br)cc(Br)cc1/C=C/C(=O)c1cncc(F)c1 737443432 IVBZMGNWBWCUBX-ONEGZZNKSA-N 429.083 5.041 30 20 IKED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F 738375236 XWNZSUAMFHXFMR-MRXNPFEDSA-N 448.388 5.122 30 20 IKED COC(=O)C[C@@H]1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)c2ccccc21 741697908 IDEJPQCHKCYUSK-HXUWFJFHSA-N 442.540 5.158 30 20 IKED O=C(/C=C\c1csc(-c2ccsc2)n1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741840888 BDAVMMXQWRCQPA-UTCJRWHESA-N 443.493 5.104 30 20 IKED Cc1ccc(-c2ncc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)s2)c(C)c1 747112170 RYJOTLGLZWXIIT-FQEVSTJZSA-N 425.513 5.541 30 20 IKED Cc1nc(CCC(=O)OCc2cc(F)ccc2C#N)oc1-c1ccc(Br)cc1 759361194 GYFXAIXXWDNNGY-UHFFFAOYSA-N 443.272 5.099 30 20 IKED C=CCOc1ccc(C(=O)c2ccccc2)c(OC(=O)c2cnc([C@@H]3CCCO3)s2)c1 760964924 ATFKAVASGASXCX-IBGZPJMESA-N 435.501 5.010 30 20 IKED Cn1c2ccccc2c2cc(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)sc21 762198324 DPYJEBLQYSFCIA-UHFFFAOYSA-N 441.512 5.301 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)c3ccc(COc4ccc(Cl)cc4)cc3)CCO2)c1 762304686 ZHIFCOPCYCNVLQ-XMMPIXPASA-N 432.907 5.004 30 20 IKED Cc1nc(-c2ccccc2)ncc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 766258357 ZBNHJXWJYCIHLU-OAQYLSRUSA-N 448.482 5.206 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCC(=O)c3ccc4c(c3)OCCO4)n2)cc1 766839867 BYXZROGMPWMMAL-IBGZPJMESA-N 446.528 5.119 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccnc(OC2CCCCC2)c1 772643865 GJDIPPQZTKRMKI-INIZCTEOSA-N 432.307 5.061 30 20 IKED CC(C)(c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1)C(F)(F)F 774056722 YDKMJHQZIJGUFT-CQSZACIVSA-N 426.797 5.280 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCOc3cc(Cl)ccc3C2=O)cs1 774559020 OELNSKQEAIYJPB-WJDWOHSUSA-N 438.936 5.838 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)n1 780402806 MOYIYSHBTKHCRA-TZIWHRDSSA-N 433.533 5.110 30 20 IKED CC(=O)N1C/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)c2ccccc2C1 781550502 YUOUVGKYTSTSFX-LDADJPATSA-N 425.406 5.594 30 20 IKED C#CCn1ccc(CN(CC)C(=O)Nc2ccc3c(c2)CN(c2ccc(C(C)C)cc2)C3)n1 788661602 QONVAWXMUWVVGX-UHFFFAOYSA-N 441.579 5.214 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)c1 790737324 XVVOADDJGLCHCP-SFHVURJKSA-N 440.956 5.144 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(C)c(Br)c1C 791772131 WSFVVBYMGFLDGQ-GOSISDBHSA-N 427.342 5.152 30 20 IKED N#C[C@H](C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1nccc2ccccc12 792092535 CTQUTZGUUUGVAI-HXUWFJFHSA-N 433.920 5.343 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 796633132 MXFUZKICMBBYQH-XUVXKRRUSA-N 444.453 5.161 30 20 IKED CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)Nc1cccc(OCC#N)c1 801618933 XOFWRSIVFNOVGB-UHFFFAOYSA-N 443.532 5.167 30 20 IKED CC(=O)Nc1cccc([C@@H](C)OC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1 805864240 HXWGNQNWGZCHFJ-MRXNPFEDSA-N 439.943 5.081 30 20 IKED Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3ccccc3N/C=C\C(=O)C(F)(F)F)o2)c1 809685053 XTDFOXZFXQAGFX-IWMPZKFUSA-N 445.397 5.020 30 20 IKED CC(C)(C)OC(=O)N1CCc2cccc(/C=C\C(=O)c3ccc(Br)nc3)c21 811698310 ZJUDCYDYZWWLKS-CLFYSBASSA-N 429.314 5.038 30 20 IKED N#C[C@@H](C(=O)NCc1cccc(Cl)c1)C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 816037609 SFFHAJCIFQEXNK-QGZVFWFLSA-N 446.812 5.258 30 20 IKED Cc1cc(C=Nn2c(S)nnc2COc2ccc(F)cc2)c(C)n1C1CCCCC1 839415183 FNYDJNQQAXQPCL-UHFFFAOYSA-N 427.549 5.091 30 20 IKED N#Cc1ccc(Nc2cccc(-c3nc([C@@H]4CCC(=O)N(CC5CCCC5)C4)no3)c2)cc1 856568112 HMHQVLVIKIVICB-OAQYLSRUSA-N 441.535 5.248 30 20 IKED Cc1c(NCc2cc(C#N)ccc2Br)cccc1-c1nnc2n1CCCCC2 864004256 MVHXQMXUYCDDFR-UHFFFAOYSA-N 436.357 5.226 30 20 IKED Cc1ccc(C(=O)N(O)Cc2cc(Cl)cc(Cl)c2)cc1NC(=O)c1ccccc1F 901379716 COXWJYRDVUVSSM-UHFFFAOYSA-N 447.293 5.725 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)cc1 915352440 IKBWHFZHJQNMCA-VWLOTQADSA-N 439.515 5.174 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(C3SCCCS3)cc2)cc1 915903212 WZIZYRAXNQGWCR-UHFFFAOYSA-N 436.524 5.632 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(C2SCCCS2)cc1 916904115 WSIKNNLLMFHBHU-FQEVSTJZSA-N 438.618 5.641 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(OC)cc3)n2)cc1 916951163 XNAOAALYVQEODY-FOIQADDNSA-N 433.533 5.293 30 20 IKED CC(C)c1cccc(N=C2NC(=O)[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)S2)c1 917634502 DIUIOTZQZJLACG-QGZVFWFLSA-N 435.471 5.077 30 20 IKED FC(F)n1c(=S)n(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ccccc21 918733584 QQDDAFINTAYXLX-NXEZZACHSA-N 433.368 5.588 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(Cc4ccccc4)n3)n2)cc1 920142826 STUVQWINWJSKGQ-HXUWFJFHSA-N 440.553 5.148 30 20 IKED N#CCOc1cccc(NC(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)c1 920870759 CRLFVHLLOBGCER-NRFANRHFSA-N 436.309 5.263 30 20 IKED C=CCCO[C@H](C)C(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1 921217237 KMPJYUHFIWWCQW-OAHLLOKOSA-N 436.961 5.122 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4cccnc4)cc3)CCC2)cc1 1785936147 LGQSAMDMCRLLGB-UHFFFAOYSA-N 438.531 5.046 30 20 IKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1CSc1ccccc1 1800665409 XTFNZMKBNNMJKT-SNJCGAMXSA-N 448.632 5.443 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc(Cl)cc1Cl 1801556387 HGIWPRIFWBOKIC-PLACYPQZSA-N 449.422 5.333 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C(C)=C/c2cccs2)[nH]n1 1819300866 LDBMAZZZTGSDOH-DFHALEPISA-N 438.597 5.335 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)ccc2C)CC1 1824137123 AXROEKRUIPKXJA-DEOSSOPVSA-N 426.576 5.136 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCCCC2(F)F)CC1 1824641945 JYCOKLNNEBBMGO-VXKWHMMOSA-N 436.587 5.200 30 20 IKED Cc1csc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1824681372 HOTLXXOKHHFUIL-CVDCTZTESA-N 449.620 5.231 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccs2)CC1 1825313400 YDYIBZKAYHJYJH-PKTZIBPZSA-N 428.642 5.069 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3sc(C)nc3c2)CC1 1828253902 TVNFDDVTKFSUEJ-HTAPYJJXSA-N 439.625 5.050 30 20 IKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC2CCC(C)(C)CC2)CC1 1830417104 QXDRZBNTUDUPIG-NFBKMPQASA-N 447.664 5.014 30 20 IKED Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1Cl 1832603120 KKLHDCYGJIILES-QHCPKHFHSA-N 449.982 5.067 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cc3oc(-c4ccccc4)cc3[nH]1)C2 1844203677 CWYDFSSOZNCWCZ-HXUWFJFHSA-N 443.547 5.013 30 20 IKED Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)N(CCC#N)c3ccccc3)s2)cc1C 10212283 DDIWRUYVWXHPRA-KRWDZBQOSA-N 437.594 5.326 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2ccc(C)c(C)c2)cc1 11160598 QXDWXKQCUXODBV-UHFFFAOYSA-O 430.018 5.919 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc3ccccc3c2)nnc1-c1ccccc1OC 21456245 QSRAOSDVQRWDKR-KRWDZBQOSA-N 444.560 5.412 30 20 IKED CCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2cc(C)ccc2C)cc1 22729627 VMPIEBSLSLDIGN-UHFFFAOYSA-O 448.612 5.352 30 20 IKED COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1 25722317 RAPRNYVBOGJMNL-UHFFFAOYSA-N 447.494 5.738 30 20 IKED C[C@H](NC(=O)c1ccccc1C(=O)c1ccc(Br)cc1)c1ccc(C#N)cc1 26126876 PIXQEGWNTWUAGY-HNNXBMFYSA-N 433.305 5.043 30 20 IKED C=CCN(C(=O)c1ccc2nc(C)c(C)nc2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 61050411 NNTZIEWQQDYPHQ-UHFFFAOYSA-N 445.504 5.111 30 20 IKED C=CCn1c(-c2sc(NC(=O)c3cc(F)c(Cl)cc3Cl)nc2C)n[nH]c1=S 110527495 UMXBNAYQKBITRE-UHFFFAOYSA-N 444.344 5.257 30 20 IKED COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCCCCC#N)cc1Cl 195533254 AGZAFBHBLCIOBA-LGMDPLHJSA-N 431.970 5.581 30 20 IKED C=CCOc1ccc(CN[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)cc1 237645185 HZTZZQKZWZHXBL-AREMUKBSSA-N 435.589 5.151 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CCSc2ccc(F)cc21 303172596 JKONECOHBVZTCX-QHCPKHFHSA-N 447.535 5.943 30 20 IKED CCCc1c(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cnn1-c1ccc(F)cc1 429606675 BWGXMQXWWMHDNY-GMAHTHKFSA-N 431.515 5.268 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 429707381 ZFQXNULAYHLGCG-UHFFFAOYSA-N 425.895 5.040 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cc1NC(=O)c1ccccc1F 430617849 PKYRBWQVLKYFTB-QGZVFWFLSA-N 435.524 5.631 30 20 IKED C=CCN(CCC#N)C(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 432855334 QUEMZDWRWIDCOO-UHFFFAOYSA-N 436.899 5.508 30 20 IKED CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)N[C@@H](CCCC#N)c1ccccc1 433039893 PNNUIIKJAMTJSR-QFIPXVFZSA-N 448.567 5.268 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccc(NC(C)=O)c(OC)c1)c1ccc(C(F)(F)F)cc1 442228835 KKGHXCLKZHCYPZ-GOSISDBHSA-N 435.446 5.501 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)c1nc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)no1 445371949 ZYPAUXCWWDFWQU-QGZVFWFLSA-N 440.459 5.055 30 20 IKED N#Cc1ccc(OCCNC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)cc1 460277833 VEOXGHFEKGSMKO-UHFFFAOYSA-N 445.569 5.148 30 20 IKED C[C@@H](Oc1ccc2ccccc2c1)c1nnc(N(C)[C@H](C)CC#N)n1Cc1cccs1 461316882 VOTKLPFPBHBXGV-QZTJIDSGSA-N 431.565 5.419 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3C[C@@H](n4cccn4)Cc4ccccc43)cc2)cc1 464429470 WAYGOFPMUGTITC-QHCPKHFHSA-N 434.499 5.186 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)NCCOc3ccc(C#N)cc3)s2)cc1 466108828 SFXUBHGIRLKOBP-SFHVURJKSA-N 434.565 5.080 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)nnc1-c1ccc(F)cc1 466620514 UXUOWQYTZPXWGC-CYBMUJFWSA-N 441.919 5.827 30 20 IKED C=CCC[C@@H](NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1 469109692 WJGXVFMBANQALG-HXUWFJFHSA-N 444.362 6.190 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)N[C@H]3CCSc4ccc(Cl)cc43)CC2)c(F)c1 476190754 AWUOGKWWFFZXBD-IBGZPJMESA-N 445.947 5.141 30 20 IKED CCc1onc(-c2ccc(Br)cc2)c1C(=O)[C@H](C#N)c1nc2ccccc2o1 483482508 SDJXMRKPVKOTPZ-AWEZNQCLSA-N 436.265 5.298 30 20 IKED CCc1onc(-c2ccccc2Cl)c1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 483492645 PPRHXJFCOJZNOP-ZDUSSCGKSA-N 440.837 5.792 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(-c4ccccc4)nc3C)n2)cc1 484094408 GHNPTFJMCQIDBK-LJQANCHMSA-N 426.501 5.074 30 20 IKED CCN(Cc1ccncc1)C(=O)c1sc(-c2ccc(OCC(C)C)c(C#N)c2)nc1C 486883798 WSBLWAGPGJMBPG-UHFFFAOYSA-N 434.565 5.082 30 20 IKED O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)NC12CCC(C(F)(F)F)(CC1)CC2 488616107 BUXGWAAWOWGHTP-JEYLPNPQSA-N 430.339 5.523 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cccc(OC)c1 488909349 LYYRGHKYTDXEOP-SFHVURJKSA-N 436.581 5.184 30 20 IKED C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1noc(-c2ccccc2)n1 495366193 XJKGUEYOOQKFJT-MRXNPFEDSA-N 426.501 5.250 30 20 IKED C=CCN(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 497549941 HQCVEPDTRMCIGX-ROUUACIJSA-N 441.459 5.319 30 20 IKED Cc1nc(SCC(=O)Nc2ccccc2COCc2ccccc2)c(C#N)c(C)c1C 499941649 DGYIKEAWQSKMMC-UHFFFAOYSA-N 431.561 5.326 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)CCC(=O)c1ccc(F)cc1F 500118128 CYMNQZYOPLJQBN-UHFFFAOYSA-N 440.259 5.044 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 502117444 FDJKCSBXHZXHCT-UHFFFAOYSA-N 442.412 5.895 30 20 IKED Cc1ccc(C#N)cc1NC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 502486356 IWAMLQDVBQOAOP-UHFFFAOYSA-N 425.319 5.803 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc23)cc1 503369169 FXWOBWFRIKMNJA-KAYWLYCHSA-N 432.523 6.227 30 20 IKED CC[C@H](C)n1c(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nnc1-c1ccccc1 504320887 KHXHMHSBSYJLLU-FZQSFKQPSA-N 439.629 5.328 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1Cl 506272971 OLORFZZITPXKFZ-NRFANRHFSA-N 434.883 5.268 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C 507070712 QKTAYSSOJPGEEV-SFHVURJKSA-N 446.576 5.458 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC([C@H](F)c2ccccc2F)CC1 511106342 HCFNORPZKJZGOT-OSPHWJPCSA-N 443.563 5.439 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1ccc(C(F)(F)F)cn1 512483656 MUCCQLIUPNAJKR-CYBMUJFWSA-N 425.197 5.083 30 20 IKED C=CCN(Cc1cccs1)C(=O)NC[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 514564012 NWOSIIHFQGADCJ-HSZRJFAPSA-N 445.588 5.768 30 20 IKED COc1ccc([C@@H](NCC(=O)Nc2cc(Cl)ccc2C#N)c2ccccc2Cl)cc1 514694685 HHTYKMXEALSDQA-HSZRJFAPSA-N 440.330 5.191 30 20 IKED C=CCn1c(Sc2nc(C)nc3sc4c(c23)CCCCC4)nnc1-c1cccnc1 514731101 LJYMMQSOSFXDBX-UHFFFAOYSA-N 434.594 5.259 30 20 IKED Cc1cc([C@H](C)NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c(C)s1 516385757 KEXLHPKNTVNHRX-INIZCTEOSA-N 449.601 5.458 30 20 IKED COC(=O)[C@@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1cccc(Cl)c1Cl 520298061 KZWDUMWXONHOKP-FQEVSTJZSA-N 428.275 5.379 30 20 IKED N#C[C@@H](C(=O)c1ccc2c(c1)NC(=O)CCS2)c1nc(-c2c(F)cccc2F)cs1 521262658 PWBXBITUNGWDHS-LBPRGKRZSA-N 441.484 5.013 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccn(-c2ccc(F)cc2)n1 524657635 BBOATMCGHYKERP-UHFFFAOYSA-N 448.445 5.217 30 20 IKED CNC(=O)c1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1Cl 534171675 OPEVYAFKBJKJAY-UHFFFAOYSA-N 440.286 5.269 30 20 IKED CC(=O)c1ccc2c(c1)CCN(C(=O)Nc1ccc(Oc3ccccc3C#N)cc1)CC2 534475411 RRLCAZDLIKZPFE-UHFFFAOYSA-N 425.488 5.186 30 20 IKED C=C[C@H](CC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F)c1ccccc1 534737648 YFQUHBFXKAQLNV-QGZVFWFLSA-N 438.449 6.256 30 20 IKED Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cccc1-c1ccccn1 535087015 DBGUVFRJHILNLN-UHFFFAOYSA-N 433.511 5.954 30 20 IKED N#CCc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)cc1 536083635 UZQVMXATYQLTSL-OAQYLSRUSA-N 434.421 5.167 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1cccc(C#Cc2ccccc2)c1 537571114 AKCCCXAPXBOKFH-MRXNPFEDSA-N 425.454 5.204 30 20 IKED CC[C@](C)(COc1ncccc1Cl)NC(=O)Nc1ccccc1SC[C@@H](C)C#N 541042424 MLSYJBZIWUKQHX-YCRPNKLZSA-N 432.977 5.356 30 20 IKED CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)cc1 543488551 CBWZVLHIQMIIPQ-UHFFFAOYSA-N 440.908 5.050 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)c1cc(Cl)ccc1SC1CCCC1 544475375 OZKJLXIAOIXOSQ-UHFFFAOYSA-N 430.957 5.524 30 20 IKED N#Cc1ccc(Oc2cccc(-c3nc(-c4ccc(CN5CCCC5=O)cc4)no3)c2)cc1 546433961 ZABSYCQVINUAIP-UHFFFAOYSA-N 436.471 5.190 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccn(C)n1 546577254 GAMMXYVZTFZRCM-BTYIYWSLSA-N 439.972 5.379 30 20 IKED C[C@H](C1CCCCC1)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 549317077 UYPILIZFZFZAIT-CQSZACIVSA-N 441.519 5.077 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)NCc2cccc(COCc3ccccc3)c2)c1 551712535 HMMZPTFZSZILLY-UHFFFAOYSA-N 437.446 5.198 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Cl)cc3OCC(F)F)o2)cc1 565266884 RSEWXJROJYTYRG-UHFFFAOYSA-N 432.810 5.280 30 20 IKED CSCC[C@](C)(C#N)NC(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1 567308583 ZECVBWXEZQNBQF-XMMPIXPASA-N 433.533 5.431 30 20 IKED N#Cc1ccccc1OCc1cccc(-c2nc(CC(=O)Nc3ccccc3Cl)no2)c1 571913307 OBUUWXFQRQLORB-UHFFFAOYSA-N 444.878 5.022 30 20 IKED N#Cc1ccc(N2CCC(c3nc(COc4ccc5ccccc5c4)no3)CC2)c(F)c1 574483931 CJYXYBMZNFTXSM-UHFFFAOYSA-N 428.467 5.197 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccn(-c2ccc(Br)cc2)n1 581324557 IETOPFXODWOTCR-CQSZACIVSA-N 441.354 5.281 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3c(-c4cccs4)nc4ccccn34)cc2)nc1 584738751 XZFLHSVAWLZBKC-UHFFFAOYSA-N 437.484 5.374 30 20 IKED Cc1ccc(-c2nc(CC(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cs2)cc1 603739188 YCWQJSUIASGLTI-UHFFFAOYSA-N 440.528 5.667 30 20 IKED C[C@H](CC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 606182618 VWFCKXVVPICIQL-SWHYSGLUSA-N 435.330 5.788 30 20 IKED C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C1 608638009 FHCZIPWYPALXLN-QDEPRCCBSA-N 440.403 5.828 30 20 IKED Cc1cc(CNC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)ccc1F 608763084 MTGGBYKCTZGUDJ-UHFFFAOYSA-N 445.338 5.287 30 20 IKED CC(C)C[C@H](C#N)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 608822920 NTGMFWNNGPQUII-XCMFGDQWSA-N 434.521 5.190 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@H]1CCCc2ccccc21 609079072 ZBEZVUWNNGORIP-SANMLTNESA-N 425.532 5.987 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC(C)(C)[C@@H]1c1ccccc1 609079206 ORUKHPQFPVEBIN-VWLOTQADSA-N 425.532 6.061 30 20 IKED Cc1oc(-c2ccccc2)nc1CSCC(=O)Nc1ccccc1S[C@@H](C)CC#N 609388699 DDPPSURRWBQEIQ-INIZCTEOSA-N 437.590 5.916 30 20 IKED CC(C)C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1nc2ccccc2[nH]1 609497812 LZJLKAXCUOZKKU-JOCHJYFZSA-N 425.492 5.139 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ncc(Cc4ccc(F)cc4F)s3)cc2)nc1 609501221 AOJROBJCBHKIHM-UHFFFAOYSA-N 448.454 5.323 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC[C@@H]3CCCN(Cc4cccs4)C3)cc2)cc1 609520308 HTQHKFFXGNUTFU-NRFANRHFSA-N 445.588 5.248 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)cc2)nn1 610184313 QQBPOQODFRYHFD-UHFFFAOYSA-N 436.471 5.280 30 20 IKED C[C@H](c1cccc(NCc2cccc(OCc3cccc(C#N)c3)c2)c1)N1CCOCC1 610910909 HDFIGHJFPCLLNL-OAQYLSRUSA-N 427.548 5.143 30 20 IKED CSc1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)n1-c1ccccc1 613318354 YYKLOUJHBPPMEP-GOSISDBHSA-N 430.558 5.516 30 20 IKED Cc1sc([C@H](C)NC(=O)N[C@H]2CCc3cc(C#N)ccc32)nc1-c1ccc(Cl)cc1 618820663 FCTHEIQBKANOSE-RBZFPXEDSA-N 436.968 5.691 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)c2cc(F)ccc2F)nnc1-c1ccc(Cl)cc1 642046963 JFTXLOWYPCZEGO-ZDUSSCGKSA-N 448.926 5.032 30 20 IKED Cc1nc(COc2ccccc2C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cs1 642282474 VACOLSIMUDPTKI-INIZCTEOSA-N 438.459 5.265 30 20 IKED N#Cc1ccc(NC(=S)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1Cl 726439485 AOTCMWQORRMALT-UHFFFAOYSA-N 436.949 6.003 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)c1 726573778 PPKHFFREWRPHDO-UHFFFAOYSA-O 448.011 6.230 30 20 IKED N#CCOc1ccc(CNC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)cc1 727675162 VYUURPKVSXEZPN-UHFFFAOYSA-N 446.503 5.697 30 20 IKED N#CCOc1cccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)c1 727745031 ZNRHRPYJGTWVFY-WJDWOHSUSA-N 431.304 5.083 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)/C=C\c3ccc(OC)c(OC)c3OC)s2)cc1 727975086 PSAQFUPFYHWGCO-WQLSENKSSA-N 425.506 5.049 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)OCc2nnc(-c3ccccc3Cl)o2)cc1 728837248 BFBJSTLCJHECAO-UHFFFAOYSA-N 445.862 5.198 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2cc(Br)cs2)cc1 730685650 BAHNGZJAORCBBO-ACJLOTCBSA-N 433.371 5.304 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1 730989850 PXPOMCWFOPVLRM-GHTZIAJQSA-N 437.565 5.068 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(c2cccc(Cl)c2)C(=S)N[C@@H]1c1cscn1 731430389 LSZCJYMCSGLHOU-LJQANCHMSA-N 443.956 5.372 30 20 IKED CC(=O)C1=C(c2ccc(C)cc2)N(Cc2cccs2)C(=O)N[C@@H]1c1csc(C2CC2)n1 731431759 ZNMHVONZRVVAFK-OAQYLSRUSA-N 449.601 5.657 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(c2ccc(C)c(F)c2)C(=O)N[C@H]1c1cscn1 731433365 GJAZJXKBHYYXIE-FQEVSTJZSA-N 425.460 5.001 30 20 IKED CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 731969243 SUFCQPSQTFEJDP-UHFFFAOYSA-N 425.410 5.427 30 20 IKED CCN(CC)c1ccc(N(Cc2cccs2)S(=O)(=O)Cc2cccc(C#N)c2)cc1 732221969 XXWKMOTYHUTEBD-UHFFFAOYSA-N 439.606 5.003 30 20 IKED Cc1sc2ncn(N=Cc3cc(C(F)(F)F)ccc3F)c(=O)c2c1-c1ccccc1 733201262 IOAJGROHNMYOGL-UHFFFAOYSA-N 431.414 5.474 30 20 IKED C#CC[C@@H](OC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1ccccn1 733693065 SDGOUQMABCOAHD-OAQYLSRUSA-N 449.304 5.018 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2cccc(Br)c2)C2CC2)c1 733852527 YOVQHOSWCUHUBH-FQEVSTJZSA-N 442.357 5.004 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2sc(-c3ccccc3F)nc2C)cs1)C1CC1 734304863 ZDVMNLKITVMHIO-YFHOEESVSA-N 427.526 5.126 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(Nc3ccc(C)nn3)c2)cc1 737322826 KKPPBKDOAVTFPO-ZHRRBRCNSA-N 427.508 5.003 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2c(Cl)nc3ccccn23)cs1 737445685 FKBLPHXLNHFJJT-FLIBITNWSA-N 436.924 5.333 30 20 IKED O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)c1cccc(-c2ccncc2)c1 741472807 KMXOKZMFYCKTGM-QXMHVHEDSA-N 442.522 5.952 30 20 IKED CC(C)(C)OC(=O)N[C@H](CNC(=O)c1ccccc1-c1ccccc1C#N)c1ccccc1 742125448 KVAJEBFMBKHVHI-XMMPIXPASA-N 441.531 5.221 30 20 IKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC3(CCOCC3)C2)c1=S 743405919 RPEZWNPEOOSUDC-UHFFFAOYSA-N 426.630 5.025 30 20 IKED CCCOc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 744073680 FMMHEQICMNEFFE-KRWDZBQOSA-N 426.488 5.686 30 20 IKED C[C@@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nc(Cc2ccccc2)no1 744957695 PSQJRZSWXRLZJR-QGZVFWFLSA-N 425.444 5.242 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 748674190 PPKDUAUMYVSDDT-UHFFFAOYSA-N 434.524 5.458 30 20 IKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(CN(CCC#N)CC(C)C)cs1 755669184 HZKSFBLAZMCCOJ-UHFFFAOYSA-N 425.385 5.506 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccc(F)cc3)c(C)s2)cc1Cl 756231458 MIYUORGNTPMLMV-QGZVFWFLSA-N 442.899 5.486 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NOCc2ccc(F)cc2)cs1 758143414 QOJGPKVYKXLWGX-UHFFFAOYSA-N 437.418 5.536 30 20 IKED CCN(C(=O)Cc1cccc(OCC#N)c1)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 760550681 WYOPDAOCRGEKTB-FQEVSTJZSA-N 428.532 5.417 30 20 IKED COc1ccc(-c2ccc(/C=C/C(=O)c3cc(Br)ncc3F)o2)c([N+](=O)[O-])c1 762423029 CZGYYMRIMRLOEK-ZZXKWVIFSA-N 447.216 5.056 30 20 IKED CC(C)(Oc1ccc(C#N)cc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 766265607 XXXAYPMXMDHJDR-HNNXBMFYSA-N 429.423 5.221 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCC(=O)c3ccc4c(c3)OCCO4)n2)cc1 766839872 BYXZROGMPWMMAL-LJQANCHMSA-N 446.528 5.119 30 20 IKED CC(C)Oc1ccc(NC(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)cc1C#N 772458491 SCOFJQPUIGKZIL-QFIPXVFZSA-N 435.549 5.175 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@H]2c3cc(Br)ccc3SC[C@@H]2C)c1 775406975 BEWIUIMXCWLGCQ-AVBTWRTFSA-N 431.399 5.703 30 20 IKED N#C[C@@H](NC(=O)c1c(C(F)(F)F)ccnc1Cl)c1ccc(OCc2ccccc2)cc1 776880504 BRRUZISFFZIOOX-GOSISDBHSA-N 445.828 5.327 30 20 IKED C=CCC[C@H](C(=O)OCc1csc(N(C(C)=O)c2ccc(C)cc2)n1)c1ccccc1 778553510 HDCOAQHWXMUIGT-QHCPKHFHSA-N 434.561 5.929 30 20 IKED C[C@@H](N[C@H](CC(F)(F)F)c1ccc(Br)cc1)c1ccc(OCC#N)cc1 779083587 ZZMBUCUZJRWBBY-FZKQIMNGSA-N 427.264 5.696 30 20 IKED CCN(C(=O)Cc1ccc(NC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1)c1ccccc1 780500880 IDJDQTWEEHKUFW-IBGZPJMESA-N 442.519 5.217 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c1C#N 782227049 GEFOZQLYOXENCK-UHFFFAOYSA-N 449.536 5.065 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cc(Br)cs2)cs1 782370098 SLWWDXXQIHPGEJ-YVMONPNESA-N 447.379 5.856 30 20 IKED C[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1ccc(-c2cccc(C#N)c2)cc1 782523174 IJLWVPAZMOREIO-HOYKHHGWSA-N 443.510 5.113 30 20 IKED Fc1ccc(OCC(F)(F)F)c(NC(=S)Nc2cccc(OC(F)(F)F)c2)c1 783724704 RSMSZSQUUYDTJY-UHFFFAOYSA-N 428.329 5.474 30 20 IKED COc1ccccc1[C@H](C)CC(=O)[C@@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 787054817 WXNYKAPQTNTPDD-QWQRMKEZSA-N 433.335 5.082 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccccc1)C[C@@H](O)c1cccs1 789450076 CLONDGXDLKZGKE-HSZRJFAPSA-N 434.605 6.368 30 20 IKED N#C[C@H](C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cnc2ccccc2n1 792110082 XHNARMHMEVXMOH-QFIPXVFZSA-N 447.473 5.041 30 20 IKED CC(C)(C(=O)[C@H](C#N)c1nccc2ccccc12)c1csc(-c2c(F)cccc2F)n1 797159966 NDKNGVHSOCLARX-MRXNPFEDSA-N 433.483 5.791 30 20 IKED N#C[C@H](C(=O)CO[C@H]1CCCc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1 797550185 ZFSOFDYCHHDBJF-APWZRJJASA-N 430.451 5.586 30 20 IKED COc1cc(COC(=O)[C@H](c2cccnc2)C(C)C)ccc1OCc1cccc(C#N)c1 797897732 JIXVBCUVAUQFKV-VWLOTQADSA-N 430.504 5.024 30 20 IKED CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)OCCCC1(C#N)CCOCC1 800153416 JLDXCZRNJQVWOC-UHFFFAOYSA-N 438.524 5.444 30 20 IKED C[C@H](NCc1ccc(C#N)c(Cl)c1)c1cc(Br)cc(Br)c1O 800990510 QIMBQPDGXLLAEN-VIFPVBQESA-N 444.554 5.293 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(COC(=O)c2cc(C#N)ccc2Cl)cs1 803834060 OWZHKLZUYZYIGA-UHFFFAOYSA-N 446.315 5.363 30 20 IKED COc1cc2c(cc1NC(=O)[C@@H]1CCN(c3ccc(C#N)cc3F)C1)oc1ccccc12 804188084 JNLLWKQBBMJITP-MRXNPFEDSA-N 429.451 5.070 30 20 IKED CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 810283400 SWTNWGQSGJJOCB-DEOSSOPVSA-N 448.498 5.108 30 20 IKED N#CCCCn1cc(C(=O)O[C@@H](c2nc3ccccc3o2)C(F)(F)F)c2ccccc21 816063882 UZNMZDARFWYADZ-IBGZPJMESA-N 427.382 5.547 30 20 IKED CC(C)c1cccc(O[C@H](C)C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1 916847087 LEFYJZUVKWEWHM-KDOFPFPSSA-N 435.549 5.043 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 916903642 PZRGGWUTMPYPSP-NRFANRHFSA-N 428.488 5.235 30 20 IKED N#C[C@H](C(=O)/C=C\c1ccccc1OC(F)(F)F)C(=O)Nc1cc(Cl)cc(Cl)c1 916946420 UCSHWVXHQQWFHK-IYKSTZQJSA-N 443.208 5.253 30 20 IKED N#C[C@H](C(=O)C1(c2ccc(F)cc2)CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995721 CXRUCDPDFYTPAG-MRXNPFEDSA-N 431.319 6.164 30 20 IKED CCOc1cc2c(cc1/C=C\C(=O)[C@H](C#N)c1nc3cc(Cl)ccc3s1)O[C@H](C)C2 917046542 KVLFZRQNJPDUNS-HUIAQSGMSA-N 438.936 5.561 30 20 IKED Cc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cc(C)c(C)c(C)c2C)cc1 917612186 LXXZFPRILHVDDZ-UHFFFAOYSA-O 428.581 5.711 30 20 IKED N#Cc1ccc(S(=O)(=O)Oc2cc(Cl)c(Cl)cc2Cl)c(C(F)(F)F)c1 917846031 PSIFBGHHNAZHDH-UHFFFAOYSA-N 430.618 5.305 30 20 IKED O=C1COc2ccc(C(=O)/C=C\c3csc(-c4ccc(C(F)(F)F)cc4)n3)cc2N1 918713837 WEBIMEJARGHNPK-SREVYHEPSA-N 430.407 5.056 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CCC2)cc1 1785935050 KIHKGWKSUIVVQM-LEWJYISDSA-N 435.955 5.127 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)c(Cl)c3)CCC2)cc1 1786679829 XBOVYFNNTITQTP-UHFFFAOYSA-N 444.984 5.016 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CC4CCCC4)cc3)CCC2)c1 1787616545 BJSSVRHAMPPGQU-IBGZPJMESA-N 429.564 5.642 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(CC(C)C)nn3C)CCC2)cc1 1789451574 MBNOBVRWQVFDQQ-HSZRJFAPSA-N 448.611 5.135 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3nccc4occc34)CCC2)cc1 1789451981 XWAHIXQEZNMAJI-HXUWFJFHSA-N 429.520 5.344 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)no3)CCC2)cc1 1791250593 WFRFEOPSSLWPGB-GOSISDBHSA-N 429.520 5.302 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C)c(C)c2)[C@@H]1c1cccnc1 1811873072 XILRSXHFRQHAMT-ZEQRLZLVSA-N 433.596 5.010 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)[nH]n1 1821923720 NQHWMGVBCSEWHN-GUYCJALGSA-N 435.355 5.235 30 20 IKED Cc1ccccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1829944036 RFHOCNUOLYPKPV-DEOSSOPVSA-N 449.982 5.067 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2ccccc2C(F)(F)F)cc1 11156836 SLQIQTIEIFSEQT-UHFFFAOYSA-O 429.487 5.606 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2cccc(Cl)c2)n1CC 22182313 BUNMJFRSGFQKEG-HNNXBMFYSA-N 447.029 5.375 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(C)=O)cc2)nnc1-c1ccc(Cl)cc1 24638144 WLTKJBQVSDJXGD-CQSZACIVSA-N 440.956 5.106 30 20 IKED C=CCn1c(SCc2csc(-c3ccc(C(F)(F)F)cc3)n2)nnc1-c1ccco1 25353605 DXBDXUYSSMWFFM-UHFFFAOYSA-N 448.495 6.159 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(F)cc3)n2)nnc1-c1ccc(Cl)cc1 26190615 YDRFDNSXOUQMIZ-UHFFFAOYSA-N 426.904 5.871 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1cc(-c2ccc(F)cc2)no1 32324869 MWFFWTDJIBSZSI-UHFFFAOYSA-N 440.475 5.269 30 20 IKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(C)c([N+](=O)[O-])c2)[n+]2cccc(C)c2)c1 36281046 HXLIRCPVOHCOTN-UHFFFAOYSA-O 434.541 5.167 30 20 IKED N#Cc1ccc(CN(CC(=O)Nc2ccccc2C(F)(F)F)Cc2cccc(F)c2)cc1 60569111 NFANDYXNAHLVTC-UHFFFAOYSA-N 441.428 5.357 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)cc1 111019063 AKALSRMZTFESJO-UHFFFAOYSA-N 445.567 5.331 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCCc2nc3ccccc3s2)cc1 116525345 QSUXXRXHJMPHGJ-UHFFFAOYSA-N 443.528 5.930 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2)c2ccccc2)nnc1-c1ccccc1F 217067826 WOLWJYIXTSSWEZ-JOCHJYFZSA-N 444.535 5.742 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)s2)cc1 303063031 YVPGHZNDNIPGNO-RBUKOAKNSA-N 438.350 5.110 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2)c1 303147539 FKXGFCWASHPQPC-UHFFFAOYSA-N 429.479 5.928 30 20 IKED COc1ccc(Br)cc1SCC(=O)N(CCC#N)c1ccc(C)c(C)c1 303875847 NLXXKGSIXIGMHB-UHFFFAOYSA-N 433.371 5.114 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(CN3CCCCCC3)cc2)c1-c1ccccc1 429655523 YHSMVJKPNWJYLE-UHFFFAOYSA-N 427.552 5.092 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 431037874 MGJBQCRXHAUBMB-UHFFFAOYSA-N 427.835 5.299 30 20 IKED CC(C)(C)OC1CC(CCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 433481399 UUUANXSZMUXPPT-UHFFFAOYSA-N 435.568 5.437 30 20 IKED Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 436159949 WYKGYUBQSRUZBG-LJQANCHMSA-N 442.302 5.042 30 20 IKED Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 437515391 NBHUXWPXJZLENC-GMAHTHKFSA-N 446.576 5.203 30 20 IKED N#CCC[C@H](NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1ccccc1 439675327 SPKRDSYLWUWIMI-QHCPKHFHSA-N 431.561 5.484 30 20 IKED Cc1ccc2oc(CN(Cc3ccco3)C(=O)C(=O)Nc3ccc(C#N)cc3Cl)cc2c1 440958760 FSHHAECLOFFVLM-UHFFFAOYSA-N 447.878 5.027 30 20 IKED Cc1cc(Br)ccc1CN(C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N 444708364 QIAZUCPIKRQYFY-HNNXBMFYSA-N 446.414 5.080 30 20 IKED Cc1cc(Br)c(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1Cl 444928754 YJJNUSXZOIPMOL-UHFFFAOYSA-N 448.748 5.358 30 20 IKED COc1ccc(C(C)(C)c2noc(-c3ccc(Oc4ccc(C#N)cn4)cc3)n2)cc1OC 445691275 PWFWWLJPUSZNSF-UHFFFAOYSA-N 442.475 5.139 30 20 IKED C[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Cl)cc1Cl 446259729 FHCOECALYVRDKU-CQSZACIVSA-N 445.350 5.459 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 460369702 NACQQOVAVSVJEO-GVAUOCQISA-N 444.579 5.450 30 20 IKED N#Cc1ccc(OCc2nnc(N(Cc3cccs3)C3CC3)n2Cc2cccs2)cc1 461305864 FNZKVVDKMWAWAE-UHFFFAOYSA-N 447.589 5.069 30 20 IKED N#CCCn1cc(CN[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)c(-c2ccncc2)n1 466477101 GFEAYVFYXZOKMK-UAPYVXQJSA-N 426.351 5.201 30 20 IKED CCNC(=O)Nc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1C 469157181 WXGDEMWRTQRKPT-UHFFFAOYSA-N 430.533 5.412 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)c1cc2cccc(F)c2o1 475434468 JFMUNTWZNYVKRY-HNNXBMFYSA-N 443.434 5.052 30 20 IKED Cn1cc(CNc2ccc(-c3csc(C(F)(F)F)n3)cc2)c(-c2ccc(C#N)cc2)n1 475501001 IONBBUDPGWECSF-UHFFFAOYSA-N 439.466 5.713 30 20 IKED Cc1ccc(C)c([C@@H]2CCCN2C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 475559563 KQLBRZCPZCKQLL-QFIPXVFZSA-N 444.535 5.003 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 475560322 UEPAFOHWRXSDNS-UHFFFAOYSA-N 449.551 5.150 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@@H]2CCCc3nc(CC)sc32)cc1 478598913 FLBDHIHYLQPSDA-HXUWFJFHSA-N 438.597 5.061 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CC(OCc2cccc3ccccc23)C1 478788213 LKEDWLKWOUWTGO-GOSISDBHSA-N 431.561 5.524 30 20 IKED C=C(C)[C@H](NC(=O)Nc1ccc(OC)c(Oc2ccc(C)nn2)c1)c1ccc(F)c(F)c1 480897653 FRTBIZKTUVXHMC-QFIPXVFZSA-N 440.450 5.303 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(c4ccccc4)CC3)cc2F)c1 481715542 VMXYEHTWDVENHJ-UHFFFAOYSA-N 429.495 5.688 30 20 IKED N#Cc1ccc2c(c1)CCCC[C@H]2Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 481989189 FMYHXPLZSPXMIT-AREMUKBSSA-N 430.573 5.553 30 20 IKED CCCc1c(NC(=O)N(C)[C@@H](CC)c2ccccc2OC)cnn1-c1cccc(C#N)c1 482524152 HZXQDJDHYUTNNL-QFIPXVFZSA-N 431.540 5.320 30 20 IKED O=C(Nc1cc(F)c(OC(F)F)cc1F)N[C@H](c1c[nH]c2ccccc12)C(F)(F)F 483617956 GXWRPRZPYVCPKY-OAHLLOKOSA-N 435.299 5.473 30 20 IKED C[C@H](CC#N)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 484809913 LFMJTNNFDWVVRV-VVZNPABPSA-N 426.476 5.052 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(OCc2ccccc2C)c1 485300448 IPSDAQBACMYKQP-UHFFFAOYSA-N 429.520 5.126 30 20 IKED Cc1ccc2nc(COc3ccc(C(=O)N[C@@H](CCCC#N)c4ccccc4)cc3)cn2c1 487152512 FVTNICLFJFVURO-VWLOTQADSA-N 438.531 5.387 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCn4c(cc5c(Cl)cccc54)C3)cc2)nc1 487436383 GAWVFQSMZASOIU-UHFFFAOYSA-N 428.879 5.010 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)nnc1-c1cnccn1 488899595 OXEZYMPBUIJHQG-AWEZNQCLSA-N 438.944 5.391 30 20 IKED C=CCC(C)(C)CNC(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 490036388 YJIBNLQTTYEKBI-OAHLLOKOSA-N 441.622 5.404 30 20 IKED O=C(N[C@H](c1c[nH]c2ccccc12)C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 490809713 XOORVEWUDRHWLW-GFCCVEGCSA-N 447.301 5.298 30 20 IKED N#Cc1cc(NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)ccc1Oc1ccccc1 493943649 DZHIDWIECXAGQG-UHFFFAOYSA-N 431.536 5.154 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3c(F)ccc(Br)c3F)c2)c1 494314729 SAWGRNJEURURJC-UHFFFAOYSA-N 443.247 5.430 30 20 IKED O=C(Nc1cnns1)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 494685166 IOBWXSPWHQVPIY-SECBINFHSA-N 438.275 5.001 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1 498569762 JFSSMKLJRVKFFY-HSZRJFAPSA-N 439.540 5.724 30 20 IKED Cc1cc(Br)oc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 501417386 AXYCWRCJLVLIKN-UHFFFAOYSA-N 425.282 5.248 30 20 IKED COc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1OC(F)F 501427648 SUNCVTJEDUPSQH-UHFFFAOYSA-N 438.430 5.194 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCc2ccccc2C(F)(F)F)cc1C 502802989 SXVHAMRDDGNYBB-UHFFFAOYSA-N 440.469 5.072 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OCc4cccnc4)c3)n2)cc1 503447173 JQEDJSWKIZQBJS-QFIPXVFZSA-N 436.496 5.146 30 20 IKED N#C[C@@H](C(=O)c1occc1CN1C(=O)Cc2ccccc21)c1nc2cc(Cl)ccc2s1 503572003 LMKHOOHDCMRCDA-INIZCTEOSA-N 447.903 5.122 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 503774324 DYCSUSNTWZQQTM-HXUWFJFHSA-N 443.522 5.735 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N(CCc3cccc(F)c3)C3CC3)c2)c1 506701839 GRGBQMJJGXFQNS-UHFFFAOYSA-N 442.494 5.189 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 507746334 BXTZUMKIBGOAMG-UHFFFAOYSA-N 431.511 5.018 30 20 IKED CC1(C#N)CCN(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)CC1 508149873 LMMSULASHCSLCY-LJQANCHMSA-N 430.321 5.013 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2Cc2ccc(F)cc2)cc1 508276946 XUXYODANVLBRIS-QFIPXVFZSA-N 445.494 5.737 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H]3CCc3ccccc3)c2)cc1 509912037 NLEJVKRHJXQUMU-SANMLTNESA-N 439.559 5.961 30 20 IKED CN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509920356 RJXWPZVRUMFVRC-UHFFFAOYSA-N 425.941 5.710 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1Cl 510023077 JFUXOROFSHRTLU-VWNXMTODSA-N 433.914 6.504 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1ccc(Br)s1 510838857 VEUKZXAQKOSPCQ-UHFFFAOYSA-N 441.350 5.451 30 20 IKED COc1ccccc1-c1ccc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 512594996 HUKMWGZSKPSDDK-UHFFFAOYSA-N 425.532 5.085 30 20 IKED N#Cc1ccc(OC2CCN(Cc3cc(Br)cc4cccnc34)CC2)c(F)c1 512827268 JLXBBRLZHMTFCU-UHFFFAOYSA-N 440.316 5.051 30 20 IKED Cn1c([C@H](C#N)C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)nc2ccccc21 513652422 AFDGEVQMJUPEGG-GOSISDBHSA-N 428.473 5.123 30 20 IKED Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 515449344 PJXCQZGILNDYRB-MRXNPFEDSA-N 433.895 5.178 30 20 IKED CCOCCOCc1cccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1 517345844 MGFAHBLTPUVGTF-UHFFFAOYSA-N 434.467 5.295 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(Cl)ccc3OC[C@H]3CCCO3)cc2)nc1 517655975 HHPLMDMCVAMNTK-HXUWFJFHSA-N 449.894 5.209 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c1 517800787 IMFNGRVEWSSFIE-HSZRJFAPSA-N 435.508 5.751 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)cc1OC 518036207 DJIFZGJFFZBWQR-UHFFFAOYSA-N 434.492 5.928 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3ncc(-c4ccccc4Cl)o3)cc2)cc1 520610747 UIFLILOEHHHWFQ-UHFFFAOYSA-N 443.890 6.230 30 20 IKED Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc12 521327165 UPOQRXRPDBNCKB-OAHLLOKOSA-N 432.574 6.042 30 20 IKED C[C@@H](COCC(F)(F)F)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 521461874 ORVNAKCFNFUTHX-LBPRGKRZSA-N 427.810 5.093 30 20 IKED N#Cc1c(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)nc2n1CCS2 522816734 YSRBLCATFZVIRV-UHFFFAOYSA-N 429.741 5.288 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1 523585091 OTUYECFLUZJZNT-UHFFFAOYSA-N 440.484 5.654 30 20 IKED C=C(C)COc1cccc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccc(C(F)(F)F)cc2)c1 523713170 UYUMBBTYMBDZID-UNMCSNQZSA-N 446.469 5.209 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1ncc(-c2ccccc2)o1 524389032 KWYUDCWZGJRONX-UHFFFAOYSA-N 437.499 5.672 30 20 IKED C=CCNC(=O)Nc1ccc(NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cc1 524457160 PEKJPWAQJIPLLP-UHFFFAOYSA-N 431.496 5.282 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2nc(C(F)(F)F)cs2)c1 525390458 HKTZMWIUFAUBLG-UHFFFAOYSA-N 437.830 5.409 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(COCc4ccccc4)cc3)cc2)nc1 525543818 BMOWXGMQLVQVJQ-UHFFFAOYSA-N 435.483 5.715 30 20 IKED C=C[C@@H](CC(=O)Nc1ccc(Oc2ccccc2S(=O)(=O)CC)cc1)c1ccccc1 533954957 XJIQYGUFJMUBIG-IBGZPJMESA-N 435.545 5.571 30 20 IKED C=C[C@@H](CC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1)c1ccccc1 536296103 VBKYHEVUQBJWDX-CABCVRRESA-N 426.314 5.036 30 20 IKED COc1ccc(CN(C)C)cc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 536415160 VUUDMLJYAMJIBI-UHFFFAOYSA-N 435.911 5.326 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 537009547 XWILOFPRFGIZGJ-UHFFFAOYSA-N 435.531 5.191 30 20 IKED Cn1cnc2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)ccc21 537477800 NQDUXZXFQFTRAA-AWEZNQCLSA-N 427.316 5.494 30 20 IKED COc1ccc2ccccc2c1-c1cc(Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)on1 537555527 GIOZWNAMKIXNMJ-UHFFFAOYSA-N 441.874 5.392 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@@H](c3ccccc3)[C@H]3CCOC3)cc2F)c1 539029990 PZABZXMQEQBVRP-OFVILXPXSA-N 445.494 5.176 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)Nc3ccccc3CCC(F)(F)F)n2)c(Cl)c1 542961342 KFRWYLQJAGBYSS-UHFFFAOYSA-N 433.821 5.536 30 20 IKED COc1ccc(OCc2nc(CNc3ncc(Cc4ccc(C#N)cc4)s3)cs2)cc1 543679441 KLIBFXUZCXSBKO-UHFFFAOYSA-N 448.573 5.262 30 20 IKED COc1cccc(/C=C(/CC(=O)N(C2CC2)C2(C#N)CCC2)c2nc3ccccc3s2)c1 551631141 BAIOBOFXOLWNFZ-RGEXLXHISA-N 443.572 5.673 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@H]3c3cccc(Cl)c3Cl)CC2)c(F)c1 552342387 JEFWFQVNFOBJGO-IRXDYDNUSA-N 433.310 5.178 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)cc2)c1 554878420 QCMSCDDJHJAFDA-UHFFFAOYSA-N 427.338 5.530 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 554920825 CNCYLPBZBUGHJJ-VXNXHJTFSA-N 430.552 5.059 30 20 IKED N#Cc1cc(N2C(=O)N[C@@H](c3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1 562095280 QGBNUSRNVOVUCQ-FQEVSTJZSA-N 437.377 5.167 30 20 IKED COc1ccc(C[C@H]2CCCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)C2)cc1 562105089 HVDQUOQIQCPACD-HXUWFJFHSA-N 442.519 5.241 30 20 IKED C[C@@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)Nc1ccccc1Cc1ccccc1 582114939 PAPPZUPHUMNSCV-HXUWFJFHSA-N 448.526 5.775 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2nc(-c3ccncc3)no2)cc1Cl 603758793 IHRSZPDULASRNL-FQEVSTJZSA-N 443.894 5.012 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cc(Cl)c4c(c3)OCCCO4)c2)cc1 603814622 RBAFORKVGLULTC-UHFFFAOYSA-N 448.906 5.399 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@H](c3ccccc3)[C@@H]3CCCO3)c2)cc1 608841747 VDURIAJDHJYXGQ-IZZNHLLZSA-N 441.531 5.373 30 20 IKED Cc1[nH]c2ccccc2c1CCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 608891984 WMCSVSSXOSZCSW-UHFFFAOYSA-N 438.531 5.486 30 20 IKED COc1ccccc1[C@@H]1CCCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 609047099 SVFSVNSJGUFENF-VWLOTQADSA-N 441.531 5.709 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1Cl 609164550 QHBCUQYUIBMAJM-IBGZPJMESA-N 430.851 5.637 30 20 IKED Cc1ccccc1CCNC(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 609387196 SGTVNOUTWIBSOU-INIZCTEOSA-N 435.515 5.179 30 20 IKED CCn1ncc2c(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc(-c3ccccc3)nc21 609431513 PWHLBUVBIGNKET-KRWDZBQOSA-N 441.560 5.765 30 20 IKED N#Cc1cccc(C2(NC(=O)Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)CC2)c1 610975530 AXKZCXNFPSLLMC-UHFFFAOYSA-N 427.451 5.049 30 20 IKED CCCOc1c(Br)cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1OC 613290544 FGSDEYKYFSZSTD-INIZCTEOSA-N 439.309 5.285 30 20 IKED Cn1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C(F)(F)F 613344220 BFKSCDBPPJMQRU-SNVBAGLBSA-N 445.253 5.359 30 20 IKED N#C[C@@H](C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1nc2cc(Cl)ccc2s1 613407032 DOBXWHQPQGGPQD-SFHVURJKSA-N 446.919 6.084 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4cccc(Cl)c4)C3)cn2)c1 613460913 ZYWSBKJNEFQEGX-OAQYLSRUSA-N 434.883 5.004 30 20 IKED C=CCc1cc(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc(OC)c1OC 614161354 CAIPTXTXPAMGSF-UHFFFAOYSA-N 440.927 5.247 30 20 IKED Cc1cc(C#N)ccc1CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1 614397321 KFTLEMRNPWOBKX-IBGZPJMESA-N 429.549 5.078 30 20 IKED N#C[C@H](C(=O)c1csc(Br)c1)c1nc2cc(C(F)(F)F)ccc2s1 642282066 IGPTWYAFKWSTDQ-SECBINFHSA-N 431.258 5.629 30 20 IKED Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 670068318 HXDNEHODGLBXAX-GASCZTMLSA-N 449.370 5.791 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)c3ccccc3n2)o1 679537121 XPTKNQFINXUEPD-LJQANCHMSA-N 436.496 5.812 30 20 IKED CC(C)(C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(Cl)cc1F 682702605 AABMHCMEKCLIOI-IAZYJMLFSA-N 433.795 5.782 30 20 IKED N#C[C@@H](C(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1Cl 726322703 ZQXSFERLTKUXTR-LBPRGKRZSA-N 430.118 5.580 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1ccc(OC(C)C)cc1 726487468 OFKXZEHRPOATOT-UHFFFAOYSA-N 437.378 5.760 30 20 IKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(Cl)cc2)cc1 726570521 CUPGTXHDNIHZRL-UHFFFAOYSA-O 441.363 5.784 30 20 IKED CC(=NNc1ccc(OCC(F)(F)F)cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 727262415 PHISQNMDUSDPDV-UHFFFAOYSA-N 440.487 5.180 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 728767199 XIBVOAGHVZYFES-CJAUYULYSA-N 437.499 5.825 30 20 IKED CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)/C=C\c1ccccc1C#N 728838725 VWRAHDBJEJBWRI-YFHOEESVSA-N 449.860 5.119 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@H](Cc3ccccc3)C2)c1=S 729985358 MCEDNBNNSIOGOR-OAQYLSRUSA-N 434.609 5.188 30 20 IKED Cc1csc([C@H](C#N)C(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)n1 730684963 DIXVVUCVGHSRSU-BEFAXECRSA-N 445.313 5.350 30 20 IKED O=C(/C=C\c1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc(C(F)(F)F)nc1O 731564733 QYBCYWSYZCCRIA-YVMONPNESA-N 427.300 5.981 30 20 IKED COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)c2ccccc2SCC#N)CCC3)cc1 731652397 LNMZXRWRQGKDQT-SFHVURJKSA-N 435.574 5.242 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc1 733258691 ILKSAXKWDAYGKE-KRWDZBQOSA-N 434.323 5.013 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccccc2)[C@H](C)c2cccs2)c1 733805463 UENKLYUOARWFPN-KNQAVFIVSA-N 433.577 5.902 30 20 IKED C=CCOc1ccccc1CN(C(=O)C(=O)Nc1ccc(OC)cc1)c1ccc(C)c(C)c1 735049390 BAUDZCGYTFWVEN-UHFFFAOYSA-N 444.531 5.049 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)CC[C@H](NC(=O)OC(C)(C)C)c3ccccc3)[nH]c12 735793533 VDVMDRATUBNQHP-MOPGFXCFSA-N 432.524 5.094 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)cc1 743253389 NKZLLVDFMDCAEE-SFHVURJKSA-N 445.313 5.044 30 20 IKED COc1ccccc1-c1nc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cs1 746779202 VJMWLXIZAADNPH-OAQYLSRUSA-N 425.513 5.726 30 20 IKED N#Cc1cc(COC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C4)C3)ccn1 747080671 WRZFVGWIEBPJSU-GQCRLJEBSA-N 446.391 5.119 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)CCCc1ccc2c(c1)-c1ccccc1C2 747562021 QXQOHMJFQISXAT-DEOSSOPVSA-N 438.527 5.327 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 749003169 NSCBZJAXVAMRLJ-UHFFFAOYSA-N 446.960 5.022 30 20 IKED C=CCC[C@H](NC(=O)c1ccc(S[C@H]2CCOC2=O)cc1)c1ccc(C(F)(F)F)cc1 750517415 MTBCWNOCQROFMC-PMACEKPBSA-N 449.494 5.550 30 20 IKED CCOC(=O)Nc1ccc(N[C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1C#N 752798398 YSNWFGMFHJUFNO-LLVKDONJSA-N 446.294 5.657 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN(CCc2nccs2)C(C)C)c1=S 753983008 BFAOSWSUUWOKBA-UHFFFAOYSA-N 434.034 5.288 30 20 IKED COc1cc(C(=O)/C=C\c2c(C(F)(F)F)nn(C)c2Cl)ccc1SC(F)F 758932569 VYFDTWOTPWWKGI-PLNGDYQASA-N 426.794 5.312 30 20 IKED O=C1/C(=C\c2nc(Cl)cs2)CN(C2CCCCC2)C/C1=C/c1nc(Cl)cs1 759077093 PSRREFIOZHYEEC-QXFGSWAMSA-N 440.421 5.591 30 20 IKED Fc1ccc(Br)c(C=Nn2cnnc2SCc2ccc(Cl)cc2)c1 761250433 AIXKBAHQKZZWTP-UHFFFAOYSA-N 425.714 5.008 30 20 IKED N#C[C@H](C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)c1nc(-c2ccccc2)cs1 762069446 RJLAPXRIIHZSNJ-QGZVFWFLSA-N 434.908 5.323 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 769457110 VNUZTPCSNNZFLL-INIZCTEOSA-N 437.565 5.584 30 20 IKED N#C[C@@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)c1nc(-c2ccncc2)cs1 770419993 VIACOQVEHOLACE-WNLSXJKCSA-N 433.842 5.681 30 20 IKED C[C@H]1CN(c2ccc(NCc3ccc(O[C@H](C)C#N)cc3)cc2C(F)(F)F)C[C@@H](C)O1 770566319 VMXGPCSYCYIEMP-ZACQAIPSSA-N 433.474 5.222 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(C(F)(F)F)cc1Br 780605443 GJSNCLPHGGYCRR-SNVBAGLBSA-N 428.208 5.403 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(Cc2ccccc2Cl)CC1 784279772 CICRIIXLZNYAKT-MRXNPFEDSA-N 442.968 5.239 30 20 IKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N 784396968 DKZGNYBHCRUTBY-RBUKOAKNSA-N 443.503 5.003 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)N[C@H]3CCc4cc(C#N)ccc43)ccc21 785787989 LCNFGNZGDASYFC-NRFANRHFSA-N 432.524 5.055 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2Cc3cc(Br)ccc3O2)cc1 791508626 DVIQQHPLJCFPPZ-RBBKRZOGSA-N 433.305 5.047 30 20 IKED CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)c3ccc(C(C)(C)C#N)cc3)cccc21 805310057 SUCJASJZSPJWSB-UHFFFAOYSA-N 433.552 5.105 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2[C@H]3CC[C@H]2CC(Cc2ccccc2)C3)ccc1OC 806807051 UHAMMGFWUMNEPA-HJOGWXRNSA-N 447.579 5.071 30 20 IKED C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1 807405494 BFRJYTCPPUVKNK-FQEVSTJZSA-N 428.557 5.140 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3C[C@@H](c4ccccc4)OC3=O)cc2Cl)c1 809663377 OIAWTXHYAYCJFN-REWPJTCUSA-N 446.890 5.034 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1ccc(F)c(Br)c1 813068202 WSCQXNIXRGXINS-ZWNOBZJWSA-N 435.293 5.707 30 20 IKED N#C[C@H](C(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1)c1cc(C(F)(F)F)ccn1 813214837 FIWWNDZNXMNWLK-HNNXBMFYSA-N 428.332 5.198 30 20 IKED C[C@H](SCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nc2ccccc2[nH]1 915179970 JWXCDODPOILBNS-UWJYYQICSA-N 426.545 5.651 30 20 IKED Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(C)c1 915351861 CNZFUWSDNWSTQI-XMMPIXPASA-N 440.547 5.370 30 20 IKED COc1ccc([C@H](CNC(=S)Nc2ccccc2C#N)c2c[nH]c3ccccc23)cc1 915995952 LERRVPKOABZVOK-NRFANRHFSA-N 426.545 5.167 30 20 IKED COc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cs2)cc1 916927993 GGLFMQFTIRKUFN-AWEZNQCLSA-N 446.315 5.087 30 20 IKED N#C[C@H](C(=O)CSc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 916928991 ZXAUHEATAXCEHH-LLVKDONJSA-N 448.158 5.740 30 20 IKED N#C[C@@H](C(=O)[C@H]1COc2ccc(Cl)cc2C1)c1nc2cc(C(F)(F)F)ccc2s1 917042580 GJEDIABPDSCUFE-RISCZKNCSA-N 436.842 5.396 30 20 IKED CCCN(Cc1ccc(C)cc1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 918303046 YEZZIQDSRGCMEV-RUZDIDTESA-N 425.532 5.028 30 20 IKED C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1589434787 VMDYAJYBVJAQCL-SFHVURJKSA-N 449.393 5.000 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc4ccoc34)CCC2)cc1 1786367574 VFVDMAONZSNGIV-UHFFFAOYSA-N 432.520 5.163 30 20 IKED Cc1occc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1787364583 OLWHFAKQYGFJGL-UHFFFAOYSA-N 433.895 5.175 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ccc4cnccc4c3)cc2)CCC1)C(F)(F)F 1789015141 BXUGKTTZECOCJQ-UHFFFAOYSA-N 439.437 5.101 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C2(C)CCCCC2)[C@H]1c1cccnc1 1810501913 FBVAIBCHZRCLAE-YADHBBJMSA-N 425.617 5.050 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)c2ccc(C)cc2)[C@H]1c1cccnc1 1810502307 GWXVFCFZMKSOHP-ZODMCCGTSA-N 447.623 5.192 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccoc3s2)CC1 1827410026 CLLDWQYOGMGDDA-HXUWFJFHSA-N 442.625 5.720 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cccc(C)c3[nH]2)CC1 1828546249 PVMHAIXOLKOYSV-ZCYQVOJMSA-N 447.623 5.478 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2)CC1 1829997589 JZBSZEBKRVEEST-DYESRHJHSA-N 436.518 5.151 30 20 IKED Cc1ccc(-n2cnnc2SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)c(C)c1 10193421 APCOBZBKFSIHGP-UHFFFAOYSA-N 448.596 5.020 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)cc1Cl)[n+]1ccccc1 14871728 CVHSPUYKTOPFCR-UHFFFAOYSA-O 430.380 5.894 30 20 IKED C=CCn1c(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)nnc1-c1ccco1 22485304 DWXZTZZQFCBIFI-UHFFFAOYSA-N 433.415 5.085 30 20 IKED C=C(C)CN/C(S)=C(/C(=O)c1ccc(Oc2ccccc2)cc1)[n+]1ccc(CC)cc1 24566687 RAJBAIMRJCPIPC-UHFFFAOYSA-O 431.581 5.433 30 20 IKED N#C[C@H](C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1nc2ccccc2s1 62696274 WPXRWEKVDRPBJP-LJQANCHMSA-N 445.569 5.809 30 20 IKED COc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1OC(F)F 108373861 MLJGJWXUMWJNNY-UHFFFAOYSA-N 438.430 5.194 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(-c3ccccc3Cl)on2)cc1 117562230 WQOVDNTUNKVHHA-UHFFFAOYSA-N 443.890 5.892 30 20 IKED CCCc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1 206338938 DWKHEHHTATUWQB-BENRWUELSA-N 426.488 5.955 30 20 IKED C=CCOc1c(Br)cc(CNCc2cc(-c3ccccc3)on2)cc1OCC 236863901 VBJOUCLPJOTSIC-UHFFFAOYSA-N 443.341 5.357 30 20 IKED C[C@@H]1CN(c2ccccc2NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[C@@H](C)O1 303635341 PNIYBCQCKMFZTK-WOJBJXKFSA-N 441.531 5.003 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccccc2N2CCC(O)CC2)c1 303638304 HFDOUGSIMQSMPO-UHFFFAOYSA-N 447.922 5.217 30 20 IKED Cc1c(C#N)cccc1NC(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1 432841865 WMCRHQCAYOIOPE-UHFFFAOYSA-N 446.557 5.116 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1 432898005 GWQZJEBDGJYCEZ-RUZDIDTESA-N 438.531 5.888 30 20 IKED CC1(C)CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)[C@H]1c1ccncc1 432921435 BVNLSHVAECENRC-DEOSSOPVSA-N 426.520 5.342 30 20 IKED C=CCC[C@H](NC(=O)Nc1cccc(N(C)C(=O)NCC)c1)c1ccc(C(F)(F)F)cc1 433228948 XTNIJTMLKJAIRW-FQEVSTJZSA-N 448.489 5.700 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3ccc(-c4nccs4)cc3)c2)cc1 439396976 NSXMAVMWKUZDPJ-UHFFFAOYSA-N 440.484 5.051 30 20 IKED COc1ccc(C#N)cc1CN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C 439788498 WMMXEOJXMNBUHS-UHFFFAOYSA-N 439.865 5.088 30 20 IKED CCc1ccc(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1C 442364618 PFXIQEHVHQYJFF-UHFFFAOYSA-N 435.471 5.159 30 20 IKED Cn1c([C@@H](NC(=O)c2cn(CCCC#N)c3ccccc23)c2ccccc2)nc2ccccc21 443980934 ADZXOJWHYYMIRL-SANMLTNESA-N 447.542 5.351 30 20 IKED CCCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 461524484 OSHLYIKOQNRWJA-DFBJGRDBSA-N 431.511 5.196 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3CCO[C@@H](c4ccccc4)C3)cc2F)c1 462239911 HFPDCKVRMYXFOT-WIOPSUGQSA-N 445.494 5.318 30 20 IKED CCN(c1ccccc1)c1ccc(CNCc2cn(CCC#N)nc2-c2ccccc2)cc1 462739860 XLEHZBFWFBGCNK-UHFFFAOYSA-N 435.575 5.912 30 20 IKED C=CCC[C@H](NC(=O)c1c(Cl)cccc1I)c1ccccc1 464409973 ZEBNNTZPXOXLNH-INIZCTEOSA-N 425.697 5.382 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)C3(c4ccccc4Cl)CCOCC3)cc2)ccn1 464673301 ZFRPEJKBMLTTFV-UHFFFAOYSA-N 433.895 5.086 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c12 464934747 DRUKUSKKNZOVEA-DENIHFKCSA-N 440.503 5.347 30 20 IKED N#CCCCOc1cccnc1NC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 466614591 UXMFGFUWLVCRDV-UHFFFAOYSA-N 430.961 5.206 30 20 IKED Cc1ccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)c(O[C@H]2CCOC2)c1 468409381 TWLLYCMCWFJGAY-NRFANRHFSA-N 444.556 5.116 30 20 IKED CC(C)Nc1ccc(Br)cc1NC(=O)CCCCOc1cccc(C#N)c1 470091265 PVTRKCBVSPFUBM-UHFFFAOYSA-N 430.346 5.329 30 20 IKED C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)C1CCN(CC(F)(F)F)CC1 470969623 VFVKNWJOFHHLAH-INIZCTEOSA-N 447.526 5.102 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 471283198 QSVLNGYGCDKSGL-UVBSCNOISA-N 448.361 5.518 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccc(NC(=O)c2ccccn2)c1 475546580 MHBNVTUDWBZFJZ-UHFFFAOYSA-N 428.536 5.508 30 20 IKED CC(C)(C#N)c1ccccc1CN[C@H](Cc1ccccn1)c1ccc(Br)cc1 475725368 YYQDNZHNSIWQJP-HSZRJFAPSA-N 434.381 5.719 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1scc(C)c1I 476078541 HIAGQKAZZPATIB-UHFFFAOYSA-N 425.335 5.765 30 20 IKED C=CCn1c(SCCOC(c2ccccc2)c2ccccc2)nnc1-c1ccccn1 481371175 KHJIFXIQUYSHIP-UHFFFAOYSA-N 428.561 5.424 30 20 IKED COc1ccccc1-c1csc(C2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)n1 483494513 APNVIDLJLMYTPX-UHFFFAOYSA-N 432.549 5.296 30 20 IKED CSc1cccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1[N+](=O)[O-] 485753875 DQLCFSPXJDBHLJ-UHFFFAOYSA-N 433.489 5.214 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(NC(=O)CCC)ccc2Cl)cc1 486923904 FKXFPFIWCNIXJZ-UHFFFAOYSA-N 429.908 5.030 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NCc3ccnc(Oc4ccccc4F)c3)cc2)nc1 487665471 JKIRGSBUEUPABY-UHFFFAOYSA-N 440.434 5.002 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2nnc(/C=C\c3ccco3)s2)c1 490288973 PTOQCVCBEOIULQ-KHPPLWFESA-N 428.473 5.004 30 20 IKED CCCCn1c(SCc2cc(C#N)ccc2Br)nnc1[C@H](CC)N(C)C 491844539 GQILFSDGPZMLKW-KRWDZBQOSA-N 436.423 5.017 30 20 IKED N#Cc1ccc(Br)c(CSc2nnc(COc3ccc(Cl)cc3)o2)c1 492315669 YBRFDMBEDYUYAA-UHFFFAOYSA-N 436.718 5.228 30 20 IKED CCOc1ccc([C@H](CNC(=O)c2sccc2C#N)c2c[nH]c3ccccc23)cc1OC 497988078 GSYFUZPONMYPMH-IBGZPJMESA-N 445.544 5.070 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@@H](c3cccc(F)c3)c3ccccn3)cc2)cc1 498880813 QLQYQXNVGDUDTJ-SANMLTNESA-N 437.474 5.598 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)o1 502121173 FVVLLLKFPVBYOI-QGZVFWFLSA-N 445.450 5.030 30 20 IKED Cc1onc(-c2cccc(Br)c2)c1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 503177390 CJQJYGQPUPNHFQ-CQSZACIVSA-N 430.327 5.483 30 20 IKED COC(=O)c1ccoc1CSc1ccccc1C(=O)N[C@@H](C#N)c1ccccc1Cl 505695680 WCGUBRCBTLQLJY-SFHVURJKSA-N 440.908 5.007 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3ccc(SCc4cccnc4)cc3)CC2)c(F)c1 505881492 MUYLECQNCSWFKX-UHFFFAOYSA-N 446.551 5.240 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 510231144 WKTQAZCJDMHZDE-HJPURHCSSA-N 425.488 5.506 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2csc(Br)c2)cc1 510615066 KMJGPRFAOORUTO-UHFFFAOYSA-N 428.311 5.496 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)nnc1-c1cccnc1 514960318 DFPKIMQNZZHXQR-ROUUACIJSA-N 443.576 5.037 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)c1 517655035 PLOKUASUGWWLAN-UHFFFAOYSA-N 437.883 5.245 30 20 IKED CCCC(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 519053844 VZVLNIHDKIGJEX-UHFFFAOYSA-N 428.492 5.411 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccccc3)C[C@H]3CCCO3)cc2)cc1 519988575 ADYFJIDUFXZTFZ-RUZDIDTESA-N 427.504 5.564 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2nn(-c3ccc(C)cc3)c3c2CCCC3)cc1 520864902 UKJGZSUTKPWOFW-UHFFFAOYSA-N 428.536 5.019 30 20 IKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1 520888760 TWNBJZQRGJETEB-FQEVSTJZSA-N 436.943 5.391 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl 520939224 NUZZYQGBFBOGAT-CVEARBPZSA-N 431.964 6.112 30 20 IKED CCn1c(CCNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)nc2ccccc21 522647415 MNUAVGQIBNODSW-UHFFFAOYSA-N 444.922 5.346 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 524124339 OSSPLSOPLWUHNM-VWLOTQADSA-N 425.488 5.051 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@H](c2cccc(F)c2)C1 524304740 KDHGAVJEHPALOQ-DEOSSOPVSA-N 431.467 5.404 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(CN(C)C(=O)C(C)C)cc1 525541085 ZBHQIOWWAPPRSK-UHFFFAOYSA-N 441.531 5.526 30 20 IKED CN(CC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccccn1)CC2(C)C)CC1CC1 532919656 YPFIXKIGUGKDNG-MDZDMXLPSA-N 432.593 5.073 30 20 IKED N#CCc1ccnc(NC(=O)c2cn(CCOc3ccccc3Cl)c3ccccc23)c1 533119986 LEWGOHWFCBUVKH-UHFFFAOYSA-N 430.895 5.087 30 20 IKED COc1c(Br)cc(CN[C@@H](CCC#N)c2ccccc2)cc1Br 533496824 SKEAUSZZFPCMEW-KRWDZBQOSA-N 438.163 5.355 30 20 IKED CCc1c(-c2ccncc2)n[nH]c1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 534213790 YFLBBRZJBKYNLF-UHFFFAOYSA-N 443.894 5.604 30 20 IKED O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1cc(F)c(F)c(F)c1F 539893403 YEJKXDXMKWEXQP-UHFFFAOYSA-N 427.226 5.026 30 20 IKED N#Cc1ccc(NC(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)cc1C(F)(F)F 541970182 NMGVORWNKNDDDG-KRWDZBQOSA-N 443.347 5.201 30 20 IKED COc1cc(C)c(CN(C)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC 543017833 QBDZRPFAPXRHRN-IBGZPJMESA-N 443.547 5.454 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)n1 543888619 VEZHGAZITXGEOP-GOSISDBHSA-N 426.307 5.420 30 20 IKED CC(=O)c1ccc(Oc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cc2)cc1 543985654 DHNYERBZHIOYQO-JOCHJYFZSA-N 439.496 5.690 30 20 IKED Cc1nc(C(F)(F)F)c(CSCC(=O)Nc2ccccc2SC[C@@H](C)C#N)s1 544699168 XVAMFPGCXSAWCZ-NSHDSACASA-N 445.557 5.594 30 20 IKED COc1cc(C#N)ccc1NC(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21 545998808 GKAVTYBAKZZRQS-MRXNPFEDSA-N 432.343 5.030 30 20 IKED C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1cccs1 549574720 XSKDOYWVMGVSHV-QGZVFWFLSA-N 447.539 5.175 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(OC2CCCC2)CC1 549638537 ZSZDCFSELYVTAF-UHFFFAOYSA-N 430.980 5.111 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1CCC(OC[C@@H]2CCCO2)CC1 550604014 CAYZDBNGBBYMOQ-RVMZIBIISA-N 448.563 5.139 30 20 IKED N#Cc1ccc(OC2CCN(Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)CC2)cc1 555684852 OVHCBUFJXVNJDD-UHFFFAOYSA-N 427.426 5.275 30 20 IKED N#CCC[C@@H](NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccccc1 560090933 PVOORGBYHQGLDX-YADHBBJMSA-N 445.485 5.517 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC(c4c[nH]c5ccc(F)cc45)CC3)cc2)nc1 561716233 VLYUVBXWWVWTNT-UHFFFAOYSA-N 440.478 5.386 30 20 IKED Cc1cc(O)nc2cc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)ccc12 571195322 HGFSVRQATALAGE-UHFFFAOYSA-N 425.463 5.102 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1nc2ccccc2cc1Br 571916597 HTYVYUKBQGOAAC-CYBMUJFWSA-N 426.339 5.501 30 20 IKED CC(C)CCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2Cc2ccccc2)cc1 576770042 HFNVMTFKLCBJBL-UHFFFAOYSA-N 429.568 5.158 30 20 IKED COc1ccc(Br)c2[nH]c(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)cc12 581703245 GSWMBVWFHMHAGC-LLVKDONJSA-N 432.343 5.183 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cnn1-c1cccc(C(F)(F)F)c1 592974486 SGFRNRSBARZBNN-HNNXBMFYSA-N 444.413 5.438 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 603657035 RDVQERPYCILJHR-IBGZPJMESA-N 445.350 5.430 30 20 IKED C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1 603992784 YTDALHXIIVCQFM-IFXJQAMLSA-N 427.529 5.232 30 20 IKED Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1NC(=O)c1ccco1 604457082 PZAHDZCUHPSLHT-UHFFFAOYSA-N 437.455 5.757 30 20 IKED Cc1cc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1C(F)(F)F 608334252 WPVPECXYDOIPJQ-NXEZZACHSA-N 436.318 6.045 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC=C(c2ccc(F)cc2)CC1 609078452 RHUWBDSUAYJKIW-UHFFFAOYSA-N 441.506 5.906 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(-c2ccccc2)ccc1Cl 609500604 ZTPBWCXMZSRUJU-UHFFFAOYSA-N 439.902 6.627 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc(C(=O)Nc4ccccn4)c3)cc2)cc1 609503115 GHMUCPZANRFJMX-UHFFFAOYSA-N 448.482 5.445 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3nnc(Cc4ccc(F)cc4)s3)cc2)cc1 609506164 SYRMIWDHOHJGPQ-UHFFFAOYSA-N 444.491 5.379 30 20 IKED N#CCn1c(C(=O)N(CC(F)(F)F)c2ccc(Br)cc2)cc2ccccc21 610388265 KAGJROCANZAIQD-UHFFFAOYSA-N 436.231 5.136 30 20 IKED N#Cc1cc(CSc2nnc(COc3ccccc3Cl)n2-c2ccccc2)ccn1 610955244 YUCLWGUOWQKZGK-UHFFFAOYSA-N 433.924 5.059 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 615479141 JBHMRHJRWOPKNO-UHFFFAOYSA-N 433.474 5.534 30 20 IKED O=C(CSc1cccc(C(F)(F)F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618297546 KKDCYZIDPVYGPI-GHMZBOCLSA-N 439.343 5.387 30 20 IKED COc1ccc([C@H](C)NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F 642663849 ATAILXWEBDXIGN-FTYKPCCVSA-N 430.364 5.104 30 20 IKED C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@H](c2ccco2)C1 670221317 YKMYFBBVFKWQTB-FQEVSTJZSA-N 447.564 5.124 30 20 IKED C=C(C)Cn1c(-c2ccccc2OC)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 670227880 QKIMPKCBLRKGRS-XUZZJYLKSA-N 432.568 5.134 30 20 IKED CCCN(CC(F)F)C(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 673711113 ZJKRUCPLUAMENB-UHFFFAOYSA-N 429.311 5.027 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c2cnn(Cc3cccs3)c2n1 679092661 QMHCBOKTBZEFGY-INIZCTEOSA-N 447.520 5.088 30 20 IKED FC(F)(F)COc1ccc(OCC(F)(F)F)c(-c2nc([C@@H]3CCC(F)(F)C3)no2)c1 685382486 IFDQORIRRXIODK-SECBINFHSA-N 446.294 5.522 30 20 IKED COc1cc(C=NNc2ccc(OCC(F)(F)F)cc2)ccc1OCc1ccncc1 727262667 UHOFVJZPJGYVJE-UHFFFAOYSA-N 431.414 5.056 30 20 IKED COc1cc(/C=C/C(=O)O[C@@H](C)c2cccc(C#N)c2)ccc1OCc1c(C)noc1C 727640424 IJAFECLRPNQBKH-KAMXEHQASA-N 432.476 5.068 30 20 IKED O=C(/C=C/c1nccn1CC(F)(F)F)c1ccc(-c2ccccc2Br)s1 728698370 IFJVPNKDYNNMCZ-VMPITWQZSA-N 441.272 5.833 30 20 IKED CCCCCCn1nc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccccc2c1=O 730990545 ZFRNEHGTLVTPBK-GOSISDBHSA-N 448.592 5.481 30 20 IKED CC(=O)c1cc(F)cc(F)c1OCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 731566687 HFTIFMSOKJCFRV-UHFFFAOYSA-N 441.274 5.223 30 20 IKED C#CCN(C(=O)N[C@@H](c1cccs1)C1CC1)[C@H]1CCOc2ccc(Br)cc21 733640586 BHHIADLQMQWBFT-FXAWDEMLSA-N 445.382 5.130 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1 733800941 AKKVMGBJBSGCGQ-DEOSSOPVSA-N 434.584 5.136 30 20 IKED CCOc1ccc([C@@H](NC(=O)NCc2cccc(O[C@@H](C#N)CC)c2)c2ccccc2)cc1 733807437 UVZRFMPFIILNNE-BVAGGSTKSA-N 443.547 5.355 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(CSc3ccccn3)c2)c1 733844187 HKGAXBUDPACXIH-OAQYLSRUSA-N 432.549 5.377 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)C(c2ccccc2)c2ccccc2)c1 733845554 DOGACCBSTLQPLD-RDPSFJRHSA-N 427.548 5.387 30 20 IKED Cc1ccc2nc(CSCC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cn2c1 734123944 UHSIVNUGVLLIBL-QHCPKHFHSA-N 426.545 5.170 30 20 IKED CCc1ccccc1NC(=O)COC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 735162254 BYIJTCZACKOMDX-UHFFFAOYSA-N 434.879 5.362 30 20 IKED C[C@H](SCc1cc(Cl)ccc1OCC#N)C(=O)Nc1ccc(Br)cc1 735319264 XILGTJIGOHYEMK-LBPRGKRZSA-N 439.762 5.265 30 20 IKED C#CCOc1ccc(F)cc1NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 741642394 GDKNTQAQJHMJHR-UHFFFAOYSA-N 428.872 5.057 30 20 IKED COc1ccc2sc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c(C)c2c1 744073305 CTJAXTFVPWAFRP-CQSZACIVSA-N 440.496 6.110 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)CSc3cccc4cccc(Cl)c34)o2)cc1 744476527 MYEKJGWUAFUYAC-UHFFFAOYSA-N 435.892 5.250 30 20 IKED C[C@H](CCOc1ccccc1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 745948217 WSYHTKWADOSXAD-DENIHFKCSA-N 428.488 5.231 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCCc1ccc(Br)s1 747107942 JWLHTGIAIQTIKA-KRWDZBQOSA-N 447.398 5.306 30 20 IKED Cc1cc(CCC(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)ccc1Br 751831421 MXPQNBUFSCJLBT-INIZCTEOSA-N 426.339 5.085 30 20 IKED CC[C@H](C#N)Oc1cccc(CNCc2ccc(Br)c(Br)c2)c1 757686892 DSNXVBZHEHPSOM-OAHLLOKOSA-N 438.163 5.182 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1ccc(Cl)cn1)c1nc(-c2ccc(Cl)cc2)cs1 769284184 RSEINRQVERPPLZ-OAHLLOKOSA-N 430.316 5.351 30 20 IKED CCc1noc(C)c1C(C)=NNc1nc2ccccc2c(=O)n1-c1ccc(C(C)C)cc1 769796076 FJENSBSQBLNPCH-UHFFFAOYSA-N 429.524 5.204 30 20 IKED CC(C)[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1cccc(C(F)(F)F)c1 775332602 HUCDHMPOGJATRR-GCJKJVERSA-N 438.453 5.229 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H](CC)c2cc(Br)ccc2O)ccc1OC 775521129 RETHIOSIADNLLQ-WMZOPIPTSA-N 433.346 5.085 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 780682784 YBXXOVDWRHBCRO-JOCHJYFZSA-N 442.563 5.144 30 20 IKED N#C[C@H]1C(CN[C@H](c2cccc3ccccc23)C(F)(F)F)=CC(=O)n2c1nc1ccccc12 781348614 JYELOSOMIYWGMY-WMZHIEFXSA-N 446.432 5.270 30 20 IKED CC(C)c1cnc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1 783013667 MGQGNZFZPSPQLS-AWEZNQCLSA-N 434.302 6.229 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc3c(c2)nc(C)n3Cc2ccsc2)c1 788450021 QBLYMYFPTXBWII-OAQYLSRUSA-N 444.560 5.066 30 20 IKED COc1cc(/C=C/C(=O)c2ccnc(O)c2)ccc1OCc1cccc(C(F)(F)F)c1 791434664 ZHWHOZYMSKJRMF-FNORWQNLSA-N 429.394 5.290 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1nc(Br)cs1 792530278 OJHVIVRJPYAHLY-UHFFFAOYSA-N 430.302 5.072 30 20 IKED CCc1cccc2c1OC/C(=C/c1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)C2=O 794727267 GYBKXDFRJXTANW-WJDWOHSUSA-N 438.936 5.702 30 20 IKED Cc1nc(SC(F)F)sc1CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 796661703 MFOCBZZJGYJJCX-CYBMUJFWSA-N 446.529 5.180 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(C(F)(F)F)cc1 798820060 AHFUSVSIUZMKDA-SMDDNHRTSA-N 436.405 6.087 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(Cl)c2ncccc12 802043409 ZTZKNDWPFDGGHZ-LJQANCHMSA-N 441.874 5.642 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(C4SCCS4)c3)CC2)c(F)c1 806172578 OSUDSYJVLMTXLG-UHFFFAOYSA-N 443.569 5.251 30 20 IKED N#CCOc1cccc(NC(=O)N[C@@H]2CCCc3c2[nH]c2ccc(Br)cc32)c1 808817760 FGYUOZWFTNIWHA-LJQANCHMSA-N 439.313 5.032 30 20 IKED C=CCn1c(SCC(=O)c2ccc(C(F)(F)F)nc2Cl)nnc1-c1ccccc1 809946913 RSAQLAIWTBXRAH-UHFFFAOYSA-N 438.862 5.173 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)s1 810460560 SGKAQLCDGSPKJY-QZTJIDSGSA-N 425.554 5.031 30 20 IKED O=C(/C=C/c1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1ccc(Br)nc1 811696249 LHMBQTVNDOGAIO-XVNBXDOJSA-N 436.231 5.004 30 20 IKED Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 819706586 MYDOWUPVJIQVHD-HHHXNRCGSA-N 449.510 5.175 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(Cc2cccs2)C(=O)N[C@H]1c1cccc(C#N)c1 840197714 XIJBTWLQOYNLFG-QFIPXVFZSA-N 447.947 5.540 30 20 IKED Cc1ccccc1CN1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 915353571 PBUADRVMSFLNAV-HHHXNRCGSA-N 438.575 5.390 30 20 IKED Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1cnn(-c2ccc(Cl)cc2)c1 915949483 KBEDKAYXIZYWMQ-UHFFFAOYSA-N 449.754 5.262 30 20 IKED COC(=O)c1ccc(COc2ccc(/C=C\C(=O)c3cccc(Cl)c3)cc2OC)o1 916137612 WMLQMPJUCXWXFU-TWGQIWQCSA-N 426.852 5.203 30 20 IKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C(F)(F)F)c1 916216963 ABIKRUVKJGWQFP-QGZVFWFLSA-N 435.471 5.076 30 20 IKED CC(=O)N(c1nc(C=NNc2nc3ccccc3s2)cs1)c1ccc(F)cc1F 916246366 FIPFQRBUNGQOFL-UHFFFAOYSA-N 429.477 5.162 30 20 IKED Cc1ccccc1CN1CCC(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 916382273 XJYBPICSNUMEAV-HHHXNRCGSA-N 438.575 5.437 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1F 916683731 GVLFNCLYRGOSPW-FQEVSTJZSA-N 437.902 5.807 30 20 IKED N#C[C@H](C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 916888412 XRCXCWMFNMOAPZ-ISKFKSNPSA-N 448.975 5.188 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cc1 916953289 BKGZVKMLQJKKJB-QVKFZJNVSA-N 434.927 5.309 30 20 IKED O=C1/C(=C\c2cnc(-c3ccccc3)nc2)CSC/C1=C/c1cnc(-c2ccccc2)nc1 917142827 RDULDFRDGBJJOW-CBSQCECLSA-N 448.551 5.384 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN(CC)Cc2ccc(Cl)c(Cl)c2)c1=S 917487689 BNFVWTMDHSBQCM-UHFFFAOYSA-N 434.396 5.448 30 20 IKED N#Cc1c(NC(=O)c2ccc(CN3CCCCC3=O)cc2)sc2c1-c1ccccc1CC2 917774330 KATJHIUBWUHWAD-UHFFFAOYSA-N 441.556 5.150 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccnc(C(F)(F)F)c3)cc2)CCC1 1787211954 FZNRCAZKJHHCRU-OAHLLOKOSA-N 431.458 5.060 30 20 IKED CC1=CC[C@@H](C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(F)c(C#N)c4)CCC3)cc2)CC1 1789115221 RHWCNTIUEPBRQU-HXUWFJFHSA-N 445.538 5.120 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)n3C)CCC2)cc1 1791248318 ZABANIQRCKCOED-OAHLLOKOSA-N 433.474 5.004 30 20 IKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1793052702 MDTCZGPJVOSRHZ-YGTOKIDASA-N 445.607 5.114 30 20 IKED C=CCC(F)(F)C(=O)N1CCC2(CCCN(C(=O)[C@@H](c3ccccc3)[C@H](C)CC)C2)CC1 1809162295 MDKFZLAWBOZXED-IFMALSPDSA-N 446.582 5.259 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cccnc3s2)[nH]n1 1814828654 CISJHUSTKXHGCK-LJQANCHMSA-N 449.580 5.094 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3ncccc3c2)[nH]n1 1819305504 KWMLQVAJPCDCOM-NFBKMPQASA-N 443.551 5.032 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sccc2Cl)n[nH]1 1819957965 OVFFDLGCMPDTMF-INIZCTEOSA-N 434.993 5.423 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2c[nH]c3ccccc23)n[nH]1 1820735433 WEEIGFOTXZXNRN-JOCHJYFZSA-N 447.583 5.118 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc(-c3ccccc3)s2)[nH]n1 1821922539 MLQAWIDKPPSTIM-LPHOPBHVSA-N 449.580 5.051 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(C)ccc23)[nH]n1 1821927953 RIRZQXJGBQXWQI-OQQATXBSSA-N 445.567 5.117 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@]3(C)CC=CCC3)[nH]n2)c1 1823216071 OCIZGQYAILHBQV-QGUBCYKSSA-N 445.567 5.089 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1ccccc1 9448071 ZVCRNDGOKCYKGX-CQSZACIVSA-N 432.471 5.269 30 20 IKED COc1ccccc1-c1nnc(SCc2cc(C#N)ccc2F)n1CCc1ccccc1 11069510 YPSZYMDMMJTVOT-UHFFFAOYSA-N 444.535 5.499 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccc(Cl)cc1Cl 14133517 SSLRVPRQGPAWRV-UHFFFAOYSA-N 437.327 5.308 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1cccc(Cl)c1C 32786579 LWSJUUPBXCCFLC-MRXNPFEDSA-N 426.973 5.136 30 20 IKED N#CCCn1cc(CNC[C@H](c2cccc(Cl)c2)N2CCCC2)c(-c2ccccc2)n1 237828775 DUFQRICWZHBRMV-XMMPIXPASA-N 433.987 5.044 30 20 IKED Cc1ccc(-c2cc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c3c(C)noc3n2)cc1 303266496 GHKATMWMBOEDBX-MRXNPFEDSA-N 442.544 6.011 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1 303312015 REUVQQNRTYPCPP-MRXNPFEDSA-N 449.605 5.127 30 20 IKED CCOc1cc2c(cc1NC(=O)c1cccc(COc3ccccc3C#N)c1)O[C@@H](C)C2 303530521 FRKUEJYYQGCREW-KRWDZBQOSA-N 428.488 5.112 30 20 IKED CCOc1c(Br)cc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cc1OC 430601272 JGWNNQVLVWJEKD-LBPRGKRZSA-N 437.359 5.100 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@@H]3C[C@H]3c3cccc4ccccc34)ccc21 432597616 MKDWHNYJIVFSCW-BJKOFHAPSA-N 438.531 5.100 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1ccccc1 435094441 BUUNABKOBZVTGY-GGAORHGYSA-N 437.971 5.505 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Br)c(Cl)c1F 435857959 ZPFQSOWZSUYJNC-JTQLQIEISA-N 427.726 5.888 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N[C@H]3C[C@H](c4cccc(Cl)c4)C3)c2)cc1 437039599 SLPNNRPARLBZSA-XGAFWQRZSA-N 445.906 5.005 30 20 IKED C=CCC[C@@H](NC(=O)N1CCn2c(C(C)C)nnc2[C@H]1C)c1ccc(C(F)(F)F)cc1 439583349 TWEMSZTUXCLFRH-CRAIPNDOSA-N 435.494 5.214 30 20 IKED C=CCOc1cccc(NC(=O)C(=O)N(C)[C@H](C)c2ccc(-c3ccccc3OC)cc2)c1 442532325 DSPCRSDAJHOYPH-LJQANCHMSA-N 444.531 5.085 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3CCOc4c(F)cccc43)c2)cc1 443348505 BDZMZMLTFOUBKP-QHCPKHFHSA-N 431.467 5.116 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1 444015673 WATRRMWTTKFZKA-KRWDZBQOSA-N 443.391 6.322 30 20 IKED N#C[C@H](C(=O)c1cn(-c2cccc(Cl)c2)nn1)c1nc(-c2ccc(Cl)cc2)cs1 444458746 QFXDUALSDMPBDE-MRXNPFEDSA-N 440.315 5.188 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(Cc3ccc(F)cc3)no2)nnc1-c1ccccc1F 445594530 UOOKNZJFFJKAKC-AWEZNQCLSA-N 439.491 5.236 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 460542605 FNEQMKRHGANEGG-HXUWFJFHSA-N 443.517 5.485 30 20 IKED CCOCCOCc1cccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1C 465333590 BRMHSVNNOGZVPF-UHFFFAOYSA-N 429.520 5.416 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[C@@H](C)C(=O)c2cccc(F)c2)cc1 469147099 XQKJTJGQCJJVJZ-MRXNPFEDSA-N 432.451 5.346 30 20 IKED C[C@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nc(C(F)(F)F)cs1 470582940 LRTFXLSGSPBQKS-ZDUSSCGKSA-N 431.439 5.104 30 20 IKED C=CCC[C@H](NC(=O)NCc1ccc(NC(=O)N(C)C)cc1)c1ccc(C(F)(F)F)cc1 474741093 DXFOZOYQYWRQEQ-FQEVSTJZSA-N 448.489 5.306 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 476172841 XMQYXESTKQPJFM-UHFFFAOYSA-N 430.523 6.491 30 20 IKED Cc1onc(-c2ccncc2)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 480678508 UDYRLVFHXWPNJV-UHFFFAOYSA-N 430.851 5.615 30 20 IKED Cc1onc(-c2ccccn2)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 480795447 MOAISPNMFVUMQT-IBGZPJMESA-N 428.879 5.606 30 20 IKED C=CCN(C(=O)c1ccc2nccn2c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 482268354 JVVRCLCYBVQKAA-UHFFFAOYSA-N 436.540 5.958 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)N[C@@H](c3cccc4ccccc34)C(F)(F)F)CCO2)c1 482399621 BXGJAXBXJXHCOA-VXKWHMMOSA-N 439.437 5.098 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 488016110 VROAGVLIVCHMRI-SANMLTNESA-N 444.506 5.098 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1SC[C@@H](O)COC(c1ccccc1)c1ccccc1 488565879 WVVDQHMNSTWNJH-IBGZPJMESA-N 444.478 5.231 30 20 IKED C=CCn1c(SCc2cnc(-c3ccc(C(C)C)cc3)s2)nnc1-c1cnccn1 488910916 PTGHDOITZSXUQU-UHFFFAOYSA-N 434.594 5.460 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(C)Cc1ccc(C#N)cc1 497488197 KZXVMFUHVLBGSL-HNNXBMFYSA-N 425.941 5.147 30 20 IKED C=CCN(C(=O)c1sccc1COC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 498235709 CESRWKNWOKOKKD-UHFFFAOYSA-N 439.389 6.158 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 499085944 CUAGXCOTCQIUSK-XMMPIXPASA-N 439.559 5.002 30 20 IKED N#C[C@@H](NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1ccc(Cl)cc1 499811770 MHDYHQKQTCUDQA-OAQYLSRUSA-N 432.936 5.503 30 20 IKED COc1ccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1NC(C)=O 502319631 QDPBGIICSOOMBX-HXUWFJFHSA-N 448.910 5.606 30 20 IKED N#Cc1cccc(C2(NC(=O)N[C@@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)CC2)c1 502679123 KXQCLNKNVKRJSP-KRWDZBQOSA-N 441.375 5.559 30 20 IKED C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 503121104 MWGKIYYJEMPGTR-IBGZPJMESA-N 442.519 5.034 30 20 IKED COc1ccc(OC)c([C@@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 503908203 GJMCPTNLRWCMMT-GOSISDBHSA-N 445.519 5.232 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)NCCc2cc(C(F)(F)F)ccn2)cc1 506843654 XKJAORXVLZEDFX-UHFFFAOYSA-N 427.451 5.096 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 509637942 SENFLOIXRABXCW-SFTDATJTSA-N 436.474 5.215 30 20 IKED C=CCN(C(=O)COc1ccccc1C(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514301672 DOGUVKUEUMFMAM-UHFFFAOYSA-N 437.521 5.440 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1sc2c(c1C#N)CCCC2 514335889 GXKXJVOVOGKSEZ-UHFFFAOYSA-N 427.526 5.234 30 20 IKED CC(=O)Nc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)ccc1F 518151859 YKXVURWVQFGDEP-UHFFFAOYSA-N 425.407 5.061 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccccc3OCC(F)(F)F)cc2)cc1 518390581 XGPVNBQZXDAILG-UHFFFAOYSA-N 426.394 5.738 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(CC)o2)nc2scc(-c3cccs3)c2c1=O 520330962 HBYXFOUVEDEABO-NSHDSACASA-N 430.580 5.171 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)Cc3csc(-c4cccc(F)c4)n3)c2)cc1 520531324 AQMQVNDBCUKMKR-UHFFFAOYSA-N 429.476 5.794 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(C)CCOc1ccc(Br)cc1 521746481 KBCDBJYEIRNQRO-OAHLLOKOSA-N 448.386 5.244 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(C(F)(F)F)nc3O)cc2Cl)c1 524138462 QEEVWWCNICQTOV-UHFFFAOYSA-N 447.800 5.162 30 20 IKED Cc1ccc(C(=O)C2CCN(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)c(C)c1 532905277 UZDLBOCEVAIEIN-FQEVSTJZSA-N 449.620 5.231 30 20 IKED Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)(F)F)nn1C(F)F 534170566 HTUHOXBANGKYIM-UHFFFAOYSA-N 433.324 5.512 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1ccccc1Nc1ccc(F)cc1)c1ccccc1 537492550 IGFSXESSRVXTDO-UHFFFAOYSA-N 430.483 5.235 30 20 IKED O=C(N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccc2nc(C(F)F)[nH]c2c1 537610165 SZZZLAKKCHLEOM-ZDUSSCGKSA-N 435.299 5.135 30 20 IKED Cc1ccccc1COc1c(C)cc(CN(C)C(=O)Nc2cc(C)n(CCC#N)n2)cc1C 538617625 UYEQADVTKQSQIB-UHFFFAOYSA-N 445.567 5.273 30 20 IKED CNc1ccc(C#N)cc1NC(=O)c1ccccc1Sc1ccc(Br)cn1 538825177 UBHILHUBBXPABI-UHFFFAOYSA-N 439.338 5.161 30 20 IKED COc1cc(CNc2ncc(Cc3ccc(C#N)cc3)s2)ccc1OCC(F)(F)F 541833094 SJPLYJQNIVLXJB-UHFFFAOYSA-N 433.455 5.167 30 20 IKED CN(C(=O)c1ccc(C(F)(F)F)cn1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 542181106 UFAHGBMZQLOISL-ZDUSSCGKSA-N 430.270 5.495 30 20 IKED C=C(C)Cn1c(SCc2nc(-c3ccc(OC(F)F)cc3)no2)nnc1-c1ccco1 545525629 QRMCXLNMXIWUGO-UHFFFAOYSA-N 445.451 5.058 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1ccc(C(F)(F)F)nc1O 551695256 KONUUMVMWIGUCV-UHFFFAOYSA-N 446.269 5.116 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@H](c2c[nH]c3ccccc23)C(F)(F)F)o1 553159263 MFJGEAUPJZSYHN-OAQYLSRUSA-N 439.393 5.245 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc1 554437945 UJDVTWYUOXOLGJ-UBFVSLLYSA-N 429.564 5.301 30 20 IKED N#CCCC[C@H](NC(=O)C(=O)Nc1cc(-c2ccccc2)ccc1Cl)c1ccccc1 556625775 PVBTZLCEIWPMJN-QFIPXVFZSA-N 431.923 5.497 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 558344485 NZNMTIWYTKAFPC-MRXNPFEDSA-N 438.528 5.167 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](c2cccs2)C1 559004320 MXUPBBMYANUHJC-CTNGQTDRSA-N 438.597 5.250 30 20 IKED C=CCC[C@@H](C(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1ccccc1 570980559 PTATVALQHYVJKO-LJQANCHMSA-N 429.442 5.208 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(C)C[C@H]1c1ccccc1 572744153 HZYBZWSPMCUXON-VWLOTQADSA-N 426.520 5.180 30 20 IKED CN(C(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(Cl)c(C(F)(F)F)c1 576145728 XNXMSCNWMDIEOY-UHFFFAOYSA-N 434.801 5.679 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Nc1ccc(Oc2ccnc(C#N)c2)cc1 578182917 CMEADTHARRDMDR-HNNXBMFYSA-N 436.899 5.155 30 20 IKED C[C@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 580111135 UWTUXEJFBIIYCJ-VOIUYBSRSA-N 431.467 5.114 30 20 IKED CN(C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)[C@H]1CC[C@@H](C(F)(F)F)CC1 580358390 DJFWNGQFZBKRPB-SCRDCRAPSA-N 448.354 5.654 30 20 IKED COc1ccc(C2CCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)CC2)cc1 584321540 YWFRUPQNXHAUPA-UHFFFAOYSA-N 428.492 5.166 30 20 IKED CCc1ccc(-n2nc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c3c2CCC3)cc1 594362935 KFSUZCGZOZPTJN-GOSISDBHSA-N 430.508 5.162 30 20 IKED CCc1ccc(-n2nc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c3c2CCC3)cc1 594362936 KFSUZCGZOZPTJN-SFHVURJKSA-N 430.508 5.162 30 20 IKED Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1ccccc1-c1ccccc1C#N 603774377 SDSNPIZFVOJQBX-UHFFFAOYSA-N 437.421 5.078 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)N3CCC(C#N)CC3)cc2Cl)c(Br)c1 609319236 SOMFBIRUCHGZOV-UHFFFAOYSA-N 448.748 5.971 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCCc4sccc4C3)cc2Cl)c1 609339797 BWPWHJIBRPPITG-UHFFFAOYSA-N 437.952 5.832 30 20 IKED CCn1c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nnc1-c1cccs1 609369721 IVTYYQIEGFVCOI-AWEZNQCLSA-N 443.623 5.009 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 609378502 PYIHAJPDYCTGRP-MRXNPFEDSA-N 426.847 5.307 30 20 IKED Cc1ccc(-c2cc(CSCC(=O)Nc3ccccc3SC[C@@H](C)C#N)on2)cc1 609388795 KBHAFFSQAVJYCJ-KRWDZBQOSA-N 437.590 5.774 30 20 IKED Cc1ccc(OCc2cccc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)c2)cn1 609620711 HHZROAWHUDYTOB-UHFFFAOYSA-N 426.501 5.217 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1O[C@H](C)c1ccccc1 609652365 RNFNJLVMHKAUTJ-LJQANCHMSA-N 430.504 5.505 30 20 IKED CN(C)[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1c(F)cccc1F 609682772 BNRSNTHPTJARFU-QFIPXVFZSA-N 436.462 5.053 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(CCc1ccc(Cl)cc1)CC1CC1 609744761 ZQJFUYSHZNPMKJ-KRWDZBQOSA-N 428.001 6.221 30 20 IKED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609941718 GYNKSKFITKHHJM-KRWDZBQOSA-N 439.471 5.255 30 20 IKED CC(C)(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc([N+](=O)[O-])cc1 610048171 MVAOLWADXXNXBZ-UHFFFAOYSA-N 433.439 5.101 30 20 IKED Cc1ccc([C@@H](NCc2ccc(C(C)(C)C#N)cc2)c2cccc(S(C)(=O)=O)c2)cc1 614058677 MYRBXGMWWUMWNZ-RUZDIDTESA-N 432.589 5.079 30 20 IKED COC(=O)c1sc2ccccc2c1CNC(=O)Nc1ccccc1SC[C@H](C)C#N 614169020 NXYFYCKQOYCTCD-CQSZACIVSA-N 439.562 5.261 30 20 IKED CC[C@H](CNC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)Oc1ccccc1F 674029695 QZIDWROBXQFNAW-YRGRVCCFSA-N 444.391 5.192 30 20 IKED O=C(Nc1cc(C(F)F)ccc1Cl)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 676134974 HIKYPQALQCMYHZ-IUCAKERBSA-N 438.746 6.309 30 20 IKED O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 681478219 PHTVZGVZOBSSQK-NXEZZACHSA-N 428.682 5.563 30 20 IKED N#CCOc1cccc(/C=C2\SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)c1 726626922 IJGJBNFIJRLPKZ-BOPFTXTBSA-N 434.464 5.009 30 20 IKED Clc1ccc(Cc2nc(CON=Cc3cccc(OCc4ccncc4)c3)cs2)cc1 727436038 YXYROYWCYOYBDJ-UHFFFAOYSA-N 449.963 5.912 30 20 IKED C#Cc1cccc(N(C(=O)c2oc3ccccc3c2CSc2ncccn2)C(C)C)c1 728246221 QLFBKPAETRAWLK-UHFFFAOYSA-N 427.529 5.552 30 20 IKED Cc1nc(-c2ccccc2F)sc1C(=O)/C=C\c1ccc(N2CCOCC2)c(F)c1 728442054 UXJODYJMWKHECL-CLFYSBASSA-N 426.488 5.129 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=S)Nc2c(Cl)ccc(C)c2Cl)cc1 728446346 MCFLQBFBCTYPEJ-UHFFFAOYSA-N 434.392 5.925 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 728466428 ZVGNZXATWBNMRS-UHFFFAOYSA-N 447.466 6.089 30 20 IKED Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc12 730996164 WAYOBWSUFSLKBX-INIZCTEOSA-N 427.533 5.233 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C1(c2cccc(Cl)c2)CCC1 731066461 NSFUREVWFHTLHB-INIZCTEOSA-N 442.968 5.195 30 20 IKED CC(C)Cn1cc(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccc21 731073165 CHXNZCILHFZDAG-SFHVURJKSA-N 449.576 5.487 30 20 IKED CCCC[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)Nc1cc(C)on1 732919551 LQKBBKDEJGHOID-NRFANRHFSA-N 436.487 5.182 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2SC(F)(F)F)ccc1OC 733623460 CSAYERIPMRRDEF-AWEZNQCLSA-N 439.459 5.310 30 20 IKED COc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2nccn2Cc2ccccc2)CC3)cc1 734095544 PNTYJWFOBBDMHH-XDJHFCHBSA-N 427.529 5.276 30 20 IKED Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3cccc(COc4ccc(C#N)cc4)c3)o2)cc1 734585870 KJOSXBGAINLFGM-GOSISDBHSA-N 439.471 5.414 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cccc(N3CCOC3=O)c2)c1 734997436 RACHFPMDHGNUAB-UHFFFAOYSA-N 433.851 5.213 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)CCc3ncc(-c4ccc(Cl)cc4Cl)o3)[nH]c12 735791413 YDXLTGIEPCZWAX-OAHLLOKOSA-N 439.302 5.642 30 20 IKED N#C[C@@H](C(=O)C1(c2ccccc2F)CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 737321911 DCFHXGAHCJHNEV-AWEZNQCLSA-N 431.319 6.164 30 20 IKED CCOc1cc(/C=C\C(=O)c2c(Cl)nc3ccccn23)cc(Br)c1OC 737445851 GVLVPGVDPGFSHT-FPLPWBNLSA-N 435.705 5.054 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)CCCc3nc(-c4ccc(F)cc4)no3)c2)s1 739589560 BIAZHOGLIKCFBN-UHFFFAOYSA-N 446.507 5.115 30 20 IKED Cc1ccc(/C=C\C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)c(Br)c1 739669445 WEHGTVNRJMELCT-FLIBITNWSA-N 435.325 5.084 30 20 IKED COc1cc(C#N)ccc1OCCSc1nn(-c2ccc(Cl)cc2)c(=S)s1 740766224 YNPLEHRYXYSLFY-UHFFFAOYSA-N 435.983 5.368 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)cc1OC 741202888 IKVRSNLPXAYLPE-YFHOEESVSA-N 437.536 5.026 30 20 IKED COCC[C@@H](Cc1cccc(Br)c1)C(=O)[C@@H](C#N)c1ccc2ccccc2n1 741429886 WMKIHTQKIGRFBW-ICSRJNTNSA-N 437.337 5.069 30 20 IKED COc1cc(C(C)=NNc2nc(-c3ccccn3)nc3c2CCC3)ccc1SC(F)F 741813972 ZNADEQRGBZITCE-UHFFFAOYSA-N 441.507 5.187 30 20 IKED O=C(/C=C/c1csc(-c2cccs2)n1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741840833 AAOGYFLTKNAUAM-VMPITWQZSA-N 443.493 5.104 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=S)NCc2ccc(OC(F)(F)F)cc2)cc1 742984526 KAMUXYZHCKWPNI-OAQYLSRUSA-N 441.478 5.727 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(Br)cn2C(C)C)cc1 744028701 NXROZZAEPUXHFV-GOSISDBHSA-N 430.346 5.135 30 20 IKED C[C@@H](CC(=O)c1cccc(F)c1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 744037826 FFCGMPZUXQBIKY-NHYWBVRUSA-N 434.414 5.540 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccc(Br)cc2)c1 744761306 DRIBSHZNDUANSY-UHFFFAOYSA-N 445.386 5.222 30 20 IKED COc1ccccc1N=C1SCCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1 746091082 JLINOVCUEXKLRY-UHFFFAOYSA-N 429.954 5.349 30 20 IKED COc1ccc(CNC(=O)N[C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)cc1C#N 747402638 JSWUQICIIGCPQH-CQSZACIVSA-N 440.956 5.213 30 20 IKED Cc1ccccc1[C@H](OC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1cccs1 748505379 OEPQUGQADKORCQ-QFIPXVFZSA-N 439.558 5.080 30 20 IKED CC[C@H](C)n1c(SCC(=O)[C@H](C#N)c2ccc3ccccc3n2)nnc1-c1ccccc1 750390256 SNXUATADMSWCOQ-FXAWDEMLSA-N 441.560 5.433 30 20 IKED FC(F)(F)c1cc(NN=Cc2cnc(-c3cccs3)s2)nc(-c2cccnc2)n1 751529409 RQAZYYHMIYGSIG-UHFFFAOYSA-N 432.456 5.188 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)N2CCC[C@](C)(C#N)C2)c(C(F)(F)F)c1 752599052 FGZFKQYRGYCGHC-LJQANCHMSA-N 426.439 5.210 30 20 IKED COC(=O)C(C)(C)[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 765907418 IUVJACDVTGILAU-BJKOFHAPSA-N 441.531 5.404 30 20 IKED COC(=O)[C@@H](Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(Br)c1 766736608 ZBLWSELHCORBSG-VXKWHMMOSA-N 435.321 5.431 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cn(CCCC#N)c2ccccc12 774041898 CDTMLZDOJDSNBV-NRFANRHFSA-N 426.520 5.031 30 20 IKED C[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1ccccc1Oc1ccccc1 775332584 PQJNCJUCCXDIOJ-GCJKJVERSA-N 434.499 5.367 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(Br)cc1Br 780451020 RRXVNYSPPUUKMO-SNVBAGLBSA-N 439.107 5.146 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl 780500243 FGTHLXSZJWUWGR-KGLIPLIRSA-N 436.364 5.907 30 20 IKED N#Cc1ccc(C2(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)CC2)cc1 781448798 MEQFLXVOHHEVCI-QGZVFWFLSA-N 438.339 5.897 30 20 IKED N#CCCn1cc(/C=C\C(=O)c2ccc(-c3ccccc3Cl)s2)c(-c2ccncc2)n1 788351270 QAQHRKHUSLEZDQ-SREVYHEPSA-N 444.947 6.137 30 20 IKED C=CCN(C(=O)CC1CC(OCC)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 789611931 WEVPQXSTKQWHNM-UHFFFAOYSA-N 425.381 5.841 30 20 IKED Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C/c1cn(C(C)(C)C)nn1 790220450 VJZHFAWYBIXDAC-MDZDMXLPSA-N 431.359 5.124 30 20 IKED CNC(=O)C[C@@H]1SC(=Nc2ccsc2)N([C@@H](c2ccc(Cl)cc2)C2CCC2)C1=O 790744781 AHKBIWNJWFTBFX-PKOBYXMFSA-N 448.013 5.011 30 20 IKED N#C[C@@H](C(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1)c1cnc2ccccc2n1 792101733 UCPDBOCCYTZWJW-MZNJEOGPSA-N 431.467 5.618 30 20 IKED COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)[C@H](C#N)c5nccc6ccccc56)(C4)C2)C3)cc1 792108982 ZYXPHOWEJOMTES-WATJXSFMSA-N 436.555 5.958 30 20 IKED CC(C)c1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)c1ccc(C(=O)N(C)C)cc1 792924684 FQZRQIOHRLKODK-CCEZHUSRSA-N 435.955 5.306 30 20 IKED N#Cc1ccc(-c2nnc(CN[C@@H](c3c[nH]c4ccccc34)C(Cl)(Cl)Cl)o2)cc1 796472230 VZAHGGHCRDDZKW-SFHVURJKSA-N 446.725 5.291 30 20 IKED Cc1ccc(C2=NO[C@@H](CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)C2)cc1 800677896 YKMDCEOXYKQYQF-JOCHJYFZSA-N 441.556 5.082 30 20 IKED N#C[C@H](C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 802045810 QYKAOCGFPYPKFU-IUODEOHRSA-N 446.347 6.221 30 20 IKED CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cc(F)c(C(F)(F)F)cc1F 804296218 DTOUSUMZRJGITP-UHFFFAOYSA-N 426.263 5.213 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccccc1CSc1nc(C)cs1 804462950 WJESRJRZGVDUQP-UHFFFAOYSA-N 428.579 5.048 30 20 IKED C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 804535284 KASYAIIJPXUNRA-AUSIDOKSSA-N 443.522 5.019 30 20 IKED C#C[C@@H](NC(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1ccc(Cl)cc1F 806269355 BPEISIBWPOEWNQ-QGZVFWFLSA-N 431.254 5.211 30 20 IKED CN(C(=O)c1cc(C#N)ccc1Cl)c1cccc(NC(=O)c2cc(C#N)ccc2Cl)c1 808281605 LRVAPIHOWOYLPE-UHFFFAOYSA-N 449.297 5.266 30 20 IKED C=CCC(C)(C)CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccsc1 814711640 QCYACLTUBLAZHQ-SFHVURJKSA-N 443.594 5.016 30 20 IKED Cc1ccc([C@@](O)(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C(F)(F)F)o1 915085546 NHPLNBUYGKAUTQ-UGKGYDQZSA-N 428.410 5.022 30 20 IKED N#C[C@@H](C(=O)CCc1nc(-c2cccs2)no1)c1nc(-c2ccc(Cl)cc2)cs1 915102252 UQTCHTUALMRTFO-AWEZNQCLSA-N 440.937 5.384 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc(Cl)nc4ccccc34)s2)cc1 916237032 QSHOXRRKHGTCRM-UHFFFAOYSA-N 437.937 5.156 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)cc1NC(=O)c1ccccc1F 916884826 HTGYNSGFRMTDPC-LJQANCHMSA-N 449.869 5.001 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)c1 916897321 XFDUERDQLMSBKH-OAQYLSRUSA-N 438.405 5.767 30 20 IKED CCc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917043287 JYNZMHVYJQLNCM-INIZCTEOSA-N 430.451 5.717 30 20 IKED O=S(=O)(c1ccc(NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1)C(F)(F)F 917059310 QMRYDGMTBZUBNB-IUCAKERBSA-N 443.331 5.302 30 20 IKED C[C@@H](c1ccccc1)n1c(-c2ccccc2)nn(CN(C)Cc2ccc(C#N)cc2)c1=S 917427850 ACHMGCRWGYDIAO-FQEVSTJZSA-N 439.588 5.652 30 20 IKED Fc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1-c1cccs1 917542733 OFGSISCUWGUQLO-UHFFFAOYSA-N 428.945 5.974 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/CSc3ccc(F)cc3C2=O)cs1 917559445 JEGXFOKPRJLYTA-JYRVWZFOSA-N 444.940 5.992 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2C)cc1OC 917720813 NWFVMRYYADNCBF-PTNGSMBKSA-N 448.563 5.283 30 20 IKED CCCC(=O)N1CCC[C@@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 918488548 BSXOKMBFAAEWRD-RHSMWYFYSA-N 436.364 5.084 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(CCc2ccccc2)Cc2cccnc2)cc1 918547982 IATAQQPDTMIOFP-NDEPHWFRSA-N 446.554 6.014 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@@H](C)c2ccc(C)s2)c(C)c1 920173518 PRQQQZOZXLGAMO-OXJNMPFZSA-N 441.622 5.035 30 20 IKED COc1ccc(OCc2ccccn2)c(C=NNc2ccc(F)cc2Br)c1 921257795 UFUFDPKOFSQWRE-UHFFFAOYSA-N 430.277 5.017 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccccc4)cc3)CCC2)cc1 1787678977 CIPCJVPCBKMRSG-UHFFFAOYSA-N 437.543 5.133 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(-c4cnco4)c3)cc2)CCC1 1790711208 QESFHELBSYNHKP-GOSISDBHSA-N 429.520 5.302 30 20 IKED C[C@@]1(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)CC1(F)F 1790767614 CISKEQABDONKKH-NRFANRHFSA-N 443.881 5.005 30 20 IKED N#CCC(=O)NC1(c2ccc(NC(=O)C3(c4cccc(Cl)c4)CCCC3)cc2)CCC1 1791524280 IRMGBUKGSDJVHK-UHFFFAOYSA-N 435.955 5.200 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(Cl)cc4c3)CCC2)cc1 1791583984 HMNLAZJKPDHAGZ-UHFFFAOYSA-N 445.950 5.439 30 20 IKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)c[nH]1 1792123943 UZDAMBSIIBSCPS-QGZVFWFLSA-N 426.520 5.012 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3c(Cl)cccc3s1)C2 1798334567 CVZOJWIKNKWRSH-XMTFNYHQSA-N 443.012 5.575 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(Cl)ccnc2c1 1800878530 NLCJDNZHUBDCSS-REPLKXPHSA-N 439.987 5.132 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(C)CCCCC3)n[nH]2)c1 1822337562 YYTIOJAPTYDLFE-AVRDEDQJSA-N 447.583 5.313 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 1828828019 BLBTXIVJYGYSDL-UKILVPOCSA-N 433.596 5.170 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)CCc1ccc(Cl)cc1Cl)C2 1844357483 QBKSYTVHMUJLGA-UHFFFAOYSA-N 437.411 5.122 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(C)c(C)c2)[n+]2ccc(CC)cc2)cc1 10173798 HHHNWLZCGNGKDT-UHFFFAOYSA-O 433.597 5.603 30 20 IKED COc1cc(/C=C2\CCc3ccccc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 13063447 GBUSOKAPJFIHFR-XMHGGMMESA-N 447.918 5.579 30 20 IKED CCn1c(SC[C@H](C#N)CCC#N)nnc1-c1cc(-c2ccccc2)nc2ccccc12 15244830 KHLNQFVOCHEQCX-SFHVURJKSA-N 438.560 5.716 30 20 IKED CCOc1cc(/C=C(/C(=O)Nc2cccnc2)C(=O)c2ccccc2)cc(Cl)c1OC 18064596 VIVCIJLTPVTKLQ-XDHOZWIPSA-N 436.895 5.047 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)NCCc2ccccc2)[n+]2ccc(C(C)(C)C)cc2)s1 22790893 IYVWYSNGSDPOLK-UHFFFAOYSA-O 437.654 5.413 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)NCc2cccc(OCc3ccccn3)c2)cc1 60689522 QCMLOAQHJGOWMT-UHFFFAOYSA-N 449.510 5.041 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 108953487 LWTUJDIZUBTKJA-OAQYLSRUSA-N 447.922 5.110 30 20 IKED Cc1ccc(-c2nc(CC(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cs2)cc1 195659571 UDXMIAHJIPKRGP-OAQYLSRUSA-N 425.513 5.162 30 20 IKED C=CCn1c(S[C@H](C)c2nc(CC)no2)nc2scc(-c3cccs3)c2c1=O 253606871 BXPYBAMLDPKABQ-LLVKDONJSA-N 430.580 5.171 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](CC(C)C)c1cccc(C(F)(F)F)c1 303135361 LBGKAGVDXHYMKV-NRFANRHFSA-N 434.506 5.269 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1c(Cl)cccc1Cl 303333825 XBBUWFSRPCPOQC-CYBMUJFWSA-N 425.406 6.117 30 20 IKED Cc1sc(NC(=O)CN2CCC[C@@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)c(C#N)c1C 427003918 BQCLUXYUEHERJI-LJQANCHMSA-N 439.972 5.056 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)c1-c1ccccc1 430184321 DKVAIJULLHHHID-UHFFFAOYSA-N 432.487 5.259 30 20 IKED COc1cc(CSc2nnc(C(F)(F)F)s2)ccc1OCc1cccc(C#N)c1 436054067 PGJNOKYDLQNFBI-UHFFFAOYSA-N 437.468 5.308 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)Nc1cccc(COC(C)C)c1 438747570 NQGJHRFJHLCIKQ-UHFFFAOYSA-N 443.503 5.161 30 20 IKED CCCc1c(NC(=O)CCCCC(=O)c2ccc(F)cc2)cnn1-c1cccc(C#N)c1 440090990 WRXLHZMOYCPOPN-UHFFFAOYSA-N 432.499 5.217 30 20 IKED N#Cc1cnc2c(Br)cccc2c1N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 440657339 FQOLPOHVDIJXCI-LPHOPBHVSA-N 426.289 5.340 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)Nc1ccc(CCC(F)(F)F)cc1 441345532 HHMSXKCNIDSHCM-CQSZACIVSA-N 435.471 5.010 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2c(F)cc(Br)cc2F)cc1 443883491 WBEWRIIVRJNHPB-UHFFFAOYSA-N 443.247 5.430 30 20 IKED COc1cc([C@@H](C)NCCC(C#N)(c2ccccc2)c2ccccc2)cc(OC)c1OC 444690179 RGOPUBJOOHJIBK-HXUWFJFHSA-N 430.548 5.263 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](Cc1ccccc1C(F)(F)F)C(C)(C)C 461274267 WNSNREXXDPNFKB-NRFANRHFSA-N 448.533 5.139 30 20 IKED N#Cc1ccc(CSCC(=O)N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cc1 464233432 HWBJJZPCBSFBTF-IBGZPJMESA-N 437.565 5.248 30 20 IKED CCn1c(SCCCSCC#N)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 466621944 ABDZJRFTQAQWRN-UHFFFAOYSA-N 433.599 5.331 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC(=Cc4ccc(F)c(F)c4)CC3)cc2)nc1 468887176 IRUFNCASYMAION-UHFFFAOYSA-N 431.442 5.343 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N(C3CC3)[C@H]3CCCc4ccccc43)ccc21 470539538 YZQRGBJQWTYMQT-VWLOTQADSA-N 442.563 5.343 30 20 IKED CC(C)CN(CCc1ccccc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470550235 WBGKIFWIADIGPR-UHFFFAOYSA-N 432.568 5.002 30 20 IKED C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1NC(=O)Nc1ccccc1S[C@H](C)CC#N 473821714 GIKOZIZQNPFJAM-SLFFLAALSA-N 436.625 5.359 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 476122800 LQRLRLZBNIZOIC-UHFFFAOYSA-N 426.582 5.012 30 20 IKED CO[C@H](C)c1nc(CSc2nc(-c3ccc(C)o3)cc(C(F)(F)F)c2C#N)cs1 476483234 ONPATOCTHHJHDU-LLVKDONJSA-N 439.484 5.997 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl 476798936 PXCUZKFVWIZLBG-UHFFFAOYSA-N 425.882 6.046 30 20 IKED C[C@H](NC(=O)c1cccc(CC#N)c1)c1nc(-c2ccc(Br)cc2)cs1 478743364 TULBKYORQCZMPQ-ZDUSSCGKSA-N 426.339 5.130 30 20 IKED Cc1ccccc1[C@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 481630617 UCMPHDBTSIEFHO-NRFANRHFSA-N 429.495 5.606 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 482401389 OQVVQEITNCNCGF-SFHVURJKSA-N 441.400 5.385 30 20 IKED N#C[C@H](C(=O)c1sc(C2CC2)nc1-c1ccccc1)c1nc2ccccc2n1C(F)F 483440184 QHLLIVQQPOVPBY-OAHLLOKOSA-N 434.471 5.922 30 20 IKED N#Cc1cc(C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)cnc1C(F)(F)F 484627022 SZCMUVZGEBECMB-UHFFFAOYSA-N 425.863 5.022 30 20 IKED N#Cc1cccnc1Oc1ccccc1NCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 484796530 ZHURTNJYSHHIMV-UHFFFAOYSA-N 447.709 5.756 30 20 IKED Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)C2)cc1 488383567 FTEMBVPGICDYFN-OXQOHEQNSA-N 449.605 5.420 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)nnc1-c1ccc(C)cc1 489656076 NMDJHWPZHDGNLM-AWEZNQCLSA-N 430.936 5.351 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(C)cc3Cl)o2)cc1 489786695 NUBFHYJKDHVBCX-CQSZACIVSA-N 429.929 5.383 30 20 IKED CCn1c(NC(=O)c2cccnc2SCc2ccc(F)cc2)nc2cc(C#N)ccc21 490792025 IYQRVZNBSZJQIU-UHFFFAOYSA-N 431.496 5.007 30 20 IKED O=C(c1ccc(OCC(F)(F)C(F)F)nc1)N1CC[C@H](C(F)(F)F)c2ccccc21 492122475 NNJMXOSFAIKDDV-ZDUSSCGKSA-N 436.327 5.057 30 20 IKED COc1cc(NC(=O)c2sc3ccc(C#N)cc3c2C)cc(OC)c1Br 497894255 ZXAUSMOHWJJPKP-UHFFFAOYSA-N 431.311 5.113 30 20 IKED Cc1csc(Sc2ccc(C(=O)N[C@@H](C#N)c3ccccc3Cl)cc2[N+](=O)[O-])n1 499949640 IQYRKOPKJWRDLU-HNNXBMFYSA-N 444.925 5.159 30 20 IKED CC(C)n1ncc2c(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)cc(C3CC3)nc21 505923724 XQBJVQLVOQZAFY-IBGZPJMESA-N 428.323 5.191 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F 506889338 ARSCEGWUJLNMBX-UHFFFAOYSA-N 443.809 5.409 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCCN(c3ccccc3)CC2)cc1 508276137 RZPSVIFLMIVQFS-UHFFFAOYSA-N 442.519 5.103 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(OCc4ccc(F)cc4)c3)CC2)cc1 509210114 JHCMMXJWFNLBLS-UHFFFAOYSA-N 445.494 5.352 30 20 IKED CC(=O)Nc1ccc(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 509589279 VGUYALIVLNAHFA-HSZRJFAPSA-N 446.938 5.318 30 20 IKED COc1ccc([C@H](C)N(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 510025251 ASEACVBUPCZJAR-SBUREZEXSA-N 433.939 6.229 30 20 IKED COc1cc(F)c([C@@H](C)NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1OC 510725752 NQGXQYGTGORQDA-MRXNPFEDSA-N 434.467 5.192 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@@H]3c3ccccc3Cl)c2)c1 511457860 OIBMWGRIBNLMOA-HSZRJFAPSA-N 444.922 5.833 30 20 IKED Cc1ccc(OCCCC(=O)Nc2ccc(CN[C@H](C)c3ccc(C#N)cc3F)cc2)cc1 512660160 LLKWLGFVHZCWED-HXUWFJFHSA-N 445.538 5.654 30 20 IKED Cc1cc(Br)ccc1N(C)C(=O)c1cccc(COc2ccccc2C#N)c1 513474862 HYSIKNBCYDYJIA-UHFFFAOYSA-N 435.321 5.485 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2ccc(COc3ccccc3Br)cc2)n1 513661676 UYWYHBDFIVICLT-MRXNPFEDSA-N 427.323 5.283 30 20 IKED N#C[C@H](C(=O)c1ccc(C(F)(F)F)cc1N1CCCC1)c1nc2ccccc2n1C(F)F 513667544 RTIJAMKHZVPQQM-OAHLLOKOSA-N 448.395 5.540 30 20 IKED N#Cc1ccc(C[C@@H](C#N)c2nc(CC3(SCc4ccccc4)CCCC3)no2)cc1 515251943 HCIGMWFRLSVHHL-QFIPXVFZSA-N 428.561 5.580 30 20 IKED CCC(CC)[C@@H](NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)c1cccs1 516083702 SIXGZKVHUYZQCX-OAQYLSRUSA-N 448.548 5.039 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 518660304 PLAGYSWWLLWGJF-GOSISDBHSA-N 429.545 5.467 30 20 IKED N#C[C@H](C(=O)c1cccc(-n2nccc2-c2ccccc2)c1)c1ccc(C(F)(F)F)cn1 518661534 KZSAHPNEDXWNGX-FQEVSTJZSA-N 432.405 5.443 30 20 IKED CC(C)[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1nc(-c2cccnc2)no1 518755395 HJDZBWOSQQGLLQ-KXBFYZLASA-N 436.541 5.045 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](CC)c1nc(C)cs1 519203413 BZEOJSCRSLYPQW-INIZCTEOSA-N 426.355 5.202 30 20 IKED C=CCC[C@@H](NC(=O)N1CC[C@H](n2cc(Cl)cn2)C1)c1ccc(C(F)(F)F)cc1 520298935 BEYWZILJHBHMAF-ZWKOTPCHSA-N 426.870 5.219 30 20 IKED Cc1nc(CSc2ccc(C(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)cc2)cs1 521293547 XSOCGNLMRFNLNV-JOCHJYFZSA-N 435.618 6.036 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CSc2nc3ccccc3o2)cc1Cl 521473615 JRQOOFICRHVTMA-GOSISDBHSA-N 433.920 5.867 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1[N+](=O)[O-] 523647957 QTEJEISZEQTWPW-ZDUSSCGKSA-N 448.287 5.524 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCCCn2cnc3ccccc32)c1 523898428 HBGGMHHSEDIDNA-UHFFFAOYSA-N 430.895 5.174 30 20 IKED CC(C)[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1nc(C2CC2)no1 524404850 UWRBFHARYCVQSF-QFIPXVFZSA-N 447.514 5.067 30 20 IKED CCCCN1CCCC[C@H]1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 524558084 FXPSSAPCLRMNLJ-QHCPKHFHSA-N 434.584 5.108 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cc(Br)ccc2O)cc1 536211946 HHRVELRCMGNAMW-UHFFFAOYSA-N 439.334 5.571 30 20 IKED N#CC1(CCCSc2nnc(Nc3cccc(Br)c3)s2)CCOCC1 538569847 KROHVINFNUNXLC-UHFFFAOYSA-N 439.404 5.237 30 20 IKED CC(C)C(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 541066006 XZNAKVRIVVEJQK-SFHVURJKSA-N 426.520 5.702 30 20 IKED CCCc1c(NC(=O)c2occc2COc2cccc(C#N)c2)cnn1-c1cccc(F)c1 542418038 GQDSCTYTTWECID-UHFFFAOYSA-N 444.466 5.260 30 20 IKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1Cl 548610726 GPZUMWSUAKYEJF-SFHVURJKSA-N 436.726 5.152 30 20 IKED Cc1sc(C2(NCc3cccc(OCCCC#N)c3)CCC2)nc1-c1ccccc1F 549939665 XUWFOCOIYHGRSS-UHFFFAOYSA-N 435.568 6.109 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC(c2ccc(Cl)cc2Cl)CC1 552955202 SKOAFAVNKLOASK-UHFFFAOYSA-N 444.362 5.380 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CC[C@H](OCc2c(C)noc2C)C1 558998613 URWWHLKMVNDXFB-QHCPKHFHSA-N 443.551 5.075 30 20 IKED CN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 561803103 HVSZSRJNGVBLMS-TYKWCNGQSA-N 445.485 5.916 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ncc(C(F)(F)F)s2)cc1 569005851 HMKQXZRCALIRQS-UHFFFAOYSA-N 434.418 5.407 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)c2ccc3n[nH]cc3c2)cc1 576182619 UOSDNKZTDGXYAJ-HNNXBMFYSA-N 427.464 5.118 30 20 IKED CC(C)[C@H](CC(F)(F)F)NC(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 582032903 HOMULNHUNBJHLT-LBPRGKRZSA-N 426.336 5.129 30 20 IKED CCc1cc(Oc2cnc(-c3noc(C[C@@H](CC#N)c4ccccc4)n3)cn2)ccc1Cl 584686230 LLWAAZCZUFNVNP-GOSISDBHSA-N 445.910 5.775 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N(C)[C@H](C)c2cc3ccccc3o2)n1 603502139 JMMHHJZBODREDU-CYBMUJFWSA-N 433.455 5.338 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3cccs3)C[C@H]3CCCO3)cn2)cc1 603691070 YCVBKAYHDUADGO-HXUWFJFHSA-N 434.521 5.020 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1c(Cl)cccc1Cl 603740173 SIQZQLBAWOEIEQ-UHFFFAOYSA-N 428.275 5.378 30 20 IKED Cc1nc(SCC(=O)NCc2ccc(COCc3ccccc3)cc2)c(C#N)c(C)c1C 603743114 VRMFLUOMARRZEU-UHFFFAOYSA-N 445.588 5.004 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)s2)o1 603992639 RWQJBTVSPIQDEL-UHFFFAOYSA-N 431.542 5.971 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)[nH]c12 605362950 AFCSHEUCZLJGQB-LJQANCHMSA-N 426.863 5.679 30 20 IKED CCNC(=O)c1ccc(C)c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 608877726 SPICXTQAQQZXLJ-UHFFFAOYSA-N 429.545 5.161 30 20 IKED CC(C)c1[nH]nc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1Br 609316481 IGVGAYDIWALUAC-UHFFFAOYSA-N 425.286 5.212 30 20 IKED CC(C)(C)[C@@H](CC1CCCCC1)NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N 609691079 BGOVFNCTVVQICF-JOCHJYFZSA-N 448.567 5.185 30 20 IKED COc1cccc2c1OCC[C@H]2NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 609724001 BUXSHUKBTSMHEJ-HXUWFJFHSA-N 434.879 5.266 30 20 IKED N#Cc1ccc(SCC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)c(F)c1 610165717 HTJWLWYSRLLMQH-LJQANCHMSA-N 445.475 5.507 30 20 IKED COc1ccc(-c2cc(CS(=O)(=O)Cc3ccc(-c4ccccc4C#N)cc3)on2)cc1 610539132 UZDMHLOWVSWRIH-UHFFFAOYSA-N 444.512 5.004 30 20 IKED COC(=O)C(C)(C)[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1 610820494 UYQSQMDIMDUQAH-OXQOHEQNSA-N 425.554 5.143 30 20 IKED CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 611398360 YEQNGIUSSIQKRR-UHFFFAOYSA-N 434.477 5.407 30 20 IKED CC(C)(NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)c(F)c1 674328529 LMGOIQRQJIRPJZ-QWRGUYRKSA-N 432.355 5.409 30 20 IKED O=C(Nc1cccc(C=Nn2cnnc2-c2ccccc2)c1)c1ccc(Cl)cc1Cl 725855851 HVWPMSTVFQLGTH-UHFFFAOYSA-N 436.302 5.386 30 20 IKED Cc1oc(-c2ccsc2)nc1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 727038897 QDFFCYFVDJZASW-MRXNPFEDSA-N 439.949 5.907 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NNc1ccc(Br)cn1 727266296 ODEXHAJKFSJWMG-UHFFFAOYSA-N 425.117 5.091 30 20 IKED COc1ccc(/C=C/C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC 727997252 WWTOFVBPBJQPAE-XYOKQWHBSA-N 428.488 5.115 30 20 IKED CC(C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)(c1ccccc1)c1ccccc1 729757593 SCOWBIKCRBVKNO-UHFFFAOYSA-N 436.511 5.287 30 20 IKED FC(F)Sc1ccc(NC(=S)Nc2ccc(C(F)(F)C(F)(F)F)cc2)cc1 729821573 PBWHVSNFDDYIEI-UHFFFAOYSA-N 428.398 6.464 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1Cc1ccccc1 731063541 POJUZVHZDNPYQQ-LJQANCHMSA-N 444.556 5.467 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2cc(Cl)ccc2[nH]1 731069581 ITOLSPXIJVQJHS-CYBMUJFWSA-N 427.913 5.011 30 20 IKED Cc1c(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)sc2ccc(F)cc12 731074491 SFPMYIUSFWTINZ-CYBMUJFWSA-N 442.537 5.539 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)NCC2CCC(c3ccccc3)CC2)ccc1OC 733646214 FCPPIWCPFBJGDL-HXJXPZHGSA-N 435.568 5.149 30 20 IKED N#CCOc1ccccc1C(=O)NCc1ccc(Br)cc1Oc1ccccc1 735254641 SDWDLIIBSJXFNO-UHFFFAOYSA-N 437.293 5.074 30 20 IKED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C/c1cc(Br)c(O)c(Br)c1 739423369 AHAUNGSSFZWTOZ-HWKANZROSA-N 441.075 5.030 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)[C@H]3C[C@@H]3c3ccccc3OC(F)(F)F)c2)s1 741194498 YKZJRUCEOHGTSQ-MOPGFXCFSA-N 442.462 5.605 30 20 IKED N#Cc1ccc(NC(=O)C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)cc1Cl 741885360 KCJXATSFWQTOCC-UHFFFAOYSA-N 446.934 5.478 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)[C@@H](C)c2ccc(-c3ccccc3)cc2)c1 743610286 CATQYRFZFATKEK-NBGIEHNGSA-N 427.548 5.937 30 20 IKED N#C[C@H](C(=O)CCc1nc2cc(Br)ccc2s1)c1nc2ccccc2o1 744039327 NRBLZUUDYYWONB-GFCCVEGCSA-N 426.295 5.009 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(F)cc2OC(F)F)cs1 748439916 BLUFDDLUDIOVFT-POHAHGRESA-N 446.450 5.773 30 20 IKED COc1cc(C=NOc2ccccc2C(F)(F)F)ccc1OCc1ccc([N+](=O)[O-])cc1 754711891 CYAPCOOHTSTXNS-UHFFFAOYSA-N 446.381 5.614 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCCc1cc(Cl)sc1Cl 756233460 KWBUENLRVGRHME-INIZCTEOSA-N 437.392 5.850 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cnc2ccc(F)cc2c1 759208486 ZYNBSFMJIBKFKY-HXUWFJFHSA-N 425.419 5.127 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)Nc3ccc(Oc4ccccc4Cl)cc3)CCO2)c1 761825971 UDJNZGHEBURNRG-QHCPKHFHSA-N 433.895 5.609 30 20 IKED C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12)c1cccc(C(=O)c2ccccc2)c1 762024391 JFIHIUPTCCDQQX-UQBPGWFLSA-N 446.506 5.522 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCCc3nc(-c4ccc(C)cc4)sc32)ccc1OC 772987153 TUUUBDKBCSCUGZ-LEWJYISDSA-N 447.604 5.975 30 20 IKED CC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)[C@H](O)c1ccccc1 775598507 FVVHRMJXDXHSQJ-UKILVPOCSA-N 429.520 5.079 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C)s2)[n+]2c(C)ccc(O)c2Cl)c1 777514496 QQUZMZZEGPYADL-UHFFFAOYSA-O 441.985 5.316 30 20 IKED Cc1nc(NC(=O)c2cccc3c2CCCN3C(=O)OC(C)(C)C)sc1SCC#N 778648671 BXYGKUWIXVRIOT-UHFFFAOYSA-N 444.582 5.007 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)C3c4ccccc4Oc4ccccc43)n2)cc1 781787069 UPSFNSOFOZQEGV-HXUWFJFHSA-N 433.492 5.796 30 20 IKED Cc1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)ccc1N1CCOCC1 783557129 LCZCHXYAQQCOLL-UHFFFAOYSA-N 429.545 5.107 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OCCCC)cc2)[n+]2cccc(O)c2)c1 789401053 JKQKEJFJRUWFHS-UHFFFAOYSA-O 445.564 5.163 30 20 IKED CC(C)c1ccc(N2Cc3ccc(NC(=O)[C@@H](C#N)Cc4ccc(C#N)cc4)cc3C2)cc1 791690288 POSNQRTWOAASEE-XMMPIXPASA-N 434.543 5.523 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3sc(SC(F)F)nc3C)n2)cc1 796636205 YQERVELGYRYSHH-CYBMUJFWSA-N 435.546 5.617 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc(C#N)c(OC)c1)C(=O)c1ccccc1 799494061 ANHBRODZTQZJKA-LFVJCYFKSA-N 438.527 5.597 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C(F)(F)F)cn2)[n+]2ccc(C)cc2)c1 804602459 HFQFDUHCARFTCL-UHFFFAOYSA-O 440.470 5.001 30 20 IKED C[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1ccc(S[C@H]2CCCCNC2=O)cc1 809049670 ZXMJLBCPHNSVNF-ZEYPLWLESA-N 436.577 5.139 30 20 IKED CCc1ccc([C@H](C#N)NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1 809258979 LIJATAPEQMUGSW-IBGZPJMESA-N 427.335 5.104 30 20 IKED C#C[C@H](N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccc(F)cc1 812310386 VOAUYQHUVYYICN-UNMCSNQZSA-N 437.858 5.031 30 20 IKED CC(C)CN(CCC#N)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 836701654 DLEACVOPTXNZGY-UHFFFAOYSA-N 437.547 5.158 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)c2C#N)C1 877882956 HDRSKTXWIMRZCQ-LURJTMIESA-N 435.163 6.005 30 20 IKED O=C(/C=C\c1ccccc1OC(F)(F)F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 914766525 LPAOSEUTSZKCET-GKKDLHFNSA-N 449.313 5.624 30 20 IKED CCN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915351586 ADLWZKDLLVYKKO-DHIUTWEWSA-N 427.504 5.036 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=NNc1ccc(C(F)(F)F)cn1 915918651 GTXAKWUKADDYNU-UHFFFAOYSA-N 428.245 5.406 30 20 IKED O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc(OC(F)F)c1 916129193 ZXPNQNFHRCTFFX-VAWYXSNFSA-N 427.834 6.090 30 20 IKED CCCCOc1cc(C=Nn2c(C)nc3sc4c(c3c2=O)CCCCC4)ccc1OC 916273127 SYDXYOGEXIUFQX-UHFFFAOYSA-N 439.581 5.105 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCCOc2ccccc2F)cc1 916719739 CLVGAIZQAYEQNH-UHFFFAOYSA-N 433.483 5.061 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CC(c2ccccc2)c2ccccc2)cc1Cl 916940168 VIVGYGSZTMBKHW-NRFANRHFSA-N 432.907 5.218 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc3cccc(C)c3c2Cl)cc1Cl 916941432 VGINKGXFRWVSFJ-GFCCVEGCSA-N 433.316 5.486 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2cccs2)n1)C(=O)Nc1cc(Cl)cc(Cl)c1 916944711 LKPXDQZKEDPEMZ-CQSZACIVSA-N 436.345 5.068 30 20 IKED COc1ccccc1/C=C(/C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccccc1 917045866 BPSMEBVXAAANFN-UMSHPIDHSA-N 444.943 6.375 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(CC(=O)O)cc2)cs1 917560333 MBZROQDGXVHCAJ-DHZHZOJOSA-N 440.908 5.004 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(-n3cccn3)cc2)cs1 917560535 QCMZJXNKTMAGGO-JYRVWZFOSA-N 428.517 5.218 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)cc1OC 917779691 NUAYETWPWORPTD-XFFZJAGNSA-N 448.563 5.092 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cnccc3C(F)(F)F)cc2)CCC1 1787353599 BCCLEOUZTXHFSS-UHFFFAOYSA-N 443.469 5.042 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3Cl)CCC2)cc1 1790567280 JUIUBUKYODKNDU-OAHLLOKOSA-N 445.922 5.028 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(C)s3)CCC2)cc1 1790570222 YULYCVCFBSSXRF-QFQMRYFISA-N 439.581 5.005 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@]2(F)CCCC=C2F)CC1 1829069728 CCLDCAULSKLTQT-NLFFAJNJSA-N 436.587 5.344 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2csc3c2CCCC3)CC1 1832030142 CUVQLGAPDNUVBZ-HSZRJFAPSA-N 440.653 5.054 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCCCCC(C)(C)C)CC2)CC1 1838750073 QZNLDSAOZIKTEU-OAQYLSRUSA-N 434.665 5.194 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cccc3c2oc2ccccc23)C1 1845736283 FDGGHOFEMOVXJK-LJQANCHMSA-N 428.532 5.171 30 20 IKED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(CSc3ccccc3)cc2)CC1 24380144 LIPJVPSSFYCBEI-RUZDIDTESA-N 445.563 5.141 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 28842499 MHXBQUYAWOMXKK-UHFFFAOYSA-N 432.383 5.011 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(COc2ccccc2)cc1 63402573 QDRMVNRYDODJSD-UHFFFAOYSA-N 431.492 5.072 30 20 IKED Cc1ccc(-c2nc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cs2)c(C)c1 63929695 IHJKQISDWGPSRX-UHFFFAOYSA-N 440.528 6.047 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3cccc(OC(F)F)c3)c2)cc1 65368579 VJZLIKQXJLDGNB-UHFFFAOYSA-N 437.446 5.255 30 20 IKED N#Cc1c(NC(=O)CCN2CCc3sccc3[C@@H]2c2cccs2)sc2c1CCC2 105419619 LKCYLBSIXKWRKM-OAQYLSRUSA-N 439.631 5.208 30 20 IKED COc1cccc([C@@H](CNc2snc(Cl)c2C#N)c2c[nH]c3ccccc23)c1OC 111220048 SNXMWJLZZWQVLS-QGZVFWFLSA-N 438.940 5.411 30 20 IKED Cc1c(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)[nH]c2c1C(=O)CC(C)(C)C2 195586667 OJPBANTYTAWCFR-UHFFFAOYSA-N 443.522 5.332 30 20 IKED C[C@H]1CSc2ccc(Br)cc2[C@@H]1NCc1cccc(OCCCC#N)c1 237709973 PXKPYYDKJBLBNB-YCRPNKLZSA-N 431.399 5.704 30 20 IKED CCOc1c(Br)cc(CN[C@@H](C)c2ccc(C#N)cc2)cc1Br 319647034 DAHIGCMILAEGBU-LBPRGKRZSA-N 438.163 5.333 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3ccc(OC)cc3)no2)nnc1-c1cccc(C)c1 426507268 JONXQVLMDOYEIC-MRXNPFEDSA-N 433.537 5.351 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@H](Oc3ncccc3F)C2)cc1 427448142 FJALXZVYGKVIHO-FQEVSTJZSA-N 447.535 5.068 30 20 IKED Cc1cc(S(=O)(=O)Nc2ccccc2S[C@H](C)CC#N)sc1Br 433511319 SLPXFSVNWWWRGC-LLVKDONJSA-N 431.402 5.014 30 20 IKED CCNC(=O)Nc1cccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1C 434046604 FJPASNDTWOMVLO-UHFFFAOYSA-N 430.533 5.412 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4nc(C5CC5)no4)cc3)n2)cc1 435458972 RJEXAKOTBDNDTP-LJQANCHMSA-N 437.484 5.099 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H](C)Oc1ccccc1F 437977961 NUSMJSMDOPXXAL-SFHVURJKSA-N 433.483 5.174 30 20 IKED Cc1ccc(CCN(Cc2ccco2)C(=O)Nc2cc(C#N)ccc2OC(F)F)cc1 437986794 MSMVQBYCYRLOGT-UHFFFAOYSA-N 425.435 5.338 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 439511031 IKHSDXPLFUAMEP-INIZCTEOSA-N 431.964 6.227 30 20 IKED CC(C)n1cnnc1-c1ccccc1NC(=O)c1cccc(COc2ccccc2C#N)c1 439660334 YGJADTVQIPIRNL-UHFFFAOYSA-N 437.503 5.229 30 20 IKED C=CCC[C@H](NC(=O)N[C@H]1CCO[C@]2(CCSC2)C1)c1ccc(C(F)(F)F)cc1 441531239 CWPQPIKLQXRWCD-CMKODMSKSA-N 428.520 5.067 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cc(C)nn1C1CCN(C)CC1)c1ccc(C(F)(F)F)cc1 442205020 GKMZBKRATYBCBB-HXUWFJFHSA-N 449.521 5.306 30 20 IKED C=CCSc1ccccc1NC(=O)CN1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 443651024 JNMSBFZIEGBYNO-MRXNPFEDSA-N 425.529 5.063 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)c1cccc(Oc2cnccn2)c1 460161275 MNIVPNMUDMYDQZ-UHFFFAOYSA-N 440.890 5.641 30 20 IKED O=C(CNc1cc(C(F)(F)F)ccc1SCC(F)F)Nc1c(F)cccc1F 462232442 AVXUOZLNCGHJSX-UHFFFAOYSA-N 426.357 5.391 30 20 IKED COc1ccccc1O[C@H](C)CNC(=O)c1ccccc1SCc1ccc(C#N)cc1 464284238 ASSBGIGQVUUGPL-GOSISDBHSA-N 432.545 5.056 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)cc1 464920338 VQDSYFIWDUXDOK-UHFFFAOYSA-N 437.455 5.757 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@@H]2CC(=O)c2ccco2)c1 468235184 OYALRCWPYSWSNL-LJQANCHMSA-N 434.879 5.475 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Sc2ccccc2Cl)nn1 468714606 NMFZYNMVHZVYRO-UHFFFAOYSA-N 440.912 5.018 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC3CC(c4ccc(C(F)(F)F)cc4)C3)ccc21 469299703 HFQJHZUAVUVYKV-UHFFFAOYSA-N 427.470 5.646 30 20 IKED CSc1ccccc1CN(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 471217425 YEOZTLRTZZPHQB-UHFFFAOYSA-N 441.607 5.088 30 20 IKED N#Cc1ccc(-c2nnc(CNc3ccc(C(=O)N4CCC[C@H]4c4ccccc4)cc3)o2)cc1 471671552 OKZUVRCYHJZUEU-DEOSSOPVSA-N 449.514 5.198 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 475563442 CBUWRFKPPSPKBX-UHFFFAOYSA-N 434.559 6.164 30 20 IKED C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CNc1cccc(OCc2cccc(C#N)c2)c1 476365704 PHTRBFGYEDHRMC-KRWDZBQOSA-N 435.474 5.047 30 20 IKED COCC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1ccc(C)o1 477450131 STIQYLUSBHNTKE-FQEVSTJZSA-N 435.480 5.160 30 20 IKED CCN(CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)Nc1c(Cl)cccc1Cl 478959400 OIIJMJMRFHWNPH-UHFFFAOYSA-N 429.269 5.324 30 20 IKED CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1 479641820 QGBUODSUHWAZTG-WJOKGBTCSA-N 448.613 6.009 30 20 IKED CCO[C@H](C)c1nc(CN(C)c2c(C#N)cnc3c(Br)c(C)ccc23)cs1 480054991 ALRCEKJQCQNQLI-CYBMUJFWSA-N 445.386 5.368 30 20 IKED COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 481655225 IIUJABNFCHFPMD-INIZCTEOSA-N 449.482 5.176 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 485311866 BEDVAXWLWFVUFK-JTQLQIEISA-N 436.327 5.021 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(Cl)c3Br)o2)cc1 486831049 DWZOSHOCPBWLTF-UHFFFAOYSA-N 431.673 5.398 30 20 IKED O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1cnc(C(F)(F)F)nc1 488854402 NIFRFUBQPUQECD-UHFFFAOYSA-N 446.282 5.093 30 20 IKED CC(=O)Nc1cccc(-n2c(SCc3ccccc3C(C)(C)C#N)nnc2C2CC2)c1 489119960 XTQTYLYGTMPRGI-UHFFFAOYSA-N 431.565 5.197 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)c1ncc(-c2ccccc2)o1 489628588 AIKZIBJCXYZREV-SFHVURJKSA-N 432.549 5.860 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(-c2cccc(C(F)(F)F)c2)nn1C 492439377 KYSBHHMXMSXEGG-UHFFFAOYSA-N 441.457 5.420 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2cc(C3CCOCC3)[nH]n2)cc1Cl 494511781 POAOFTUZZSJBMK-LJQANCHMSA-N 435.915 5.257 30 20 IKED CN(CC(C)(C)C#N)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 497298714 ZRSWQIXVRLTLGK-ATVHPVEESA-N 434.521 5.143 30 20 IKED N#CC1(CCCOc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)CCOCC1 499983017 YKVWKWRJKLZWPP-UHFFFAOYSA-N 432.442 5.437 30 20 IKED N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCO[C@H](c2cccc(Br)c2)C1 500558625 URKWSSOXCPHFST-KRWDZBQOSA-N 446.707 5.239 30 20 IKED COc1ccccc1C[C@H](C)CC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 500649592 VCGKCSQFYZYRSN-CPJSRVTESA-N 428.532 5.224 30 20 IKED O=C(N1CCCC[C@H]1C(F)F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 500665232 MQNSKLJGMVMIIO-XUKFVZQSSA-N 447.410 5.755 30 20 IKED COc1cc(Br)ccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 501292241 VLCHEGFJFPCYDH-MRXNPFEDSA-N 427.323 5.380 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl 503305349 ZUAWNOVYWUXHAM-WBMJQRKESA-N 448.375 5.130 30 20 IKED C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(Oc2ccnc3ccccc23)cc1 503331424 VRNNHVHUALDQRW-UHFFFAOYSA-N 437.499 5.180 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1 505928612 RBFXPCYGAFPXLD-GOSISDBHSA-N 438.742 5.626 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 505934323 XLAUUFLILZVISE-IBGZPJMESA-N 437.446 5.723 30 20 IKED C[C@H](SCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(OC(F)(F)F)cc1 506728973 GYQJBWQNHRHEKE-AWEZNQCLSA-N 446.454 5.075 30 20 IKED CC[C@@H](NC1CCC(C#N)(c2ccccc2)CC1)c1ccccc1OCC(=O)N1CCCC1 507654535 VGENKZUMDOIISY-XSGAYFKKSA-N 445.607 5.133 30 20 IKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2nc3ccccc3s2)s1 508933138 KVDFQOVHCIUDOY-UHFFFAOYSA-N 446.601 5.100 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SC[C@@H](OC)c1ccc(Cl)cc1 509096888 HJIXVTPHQWPRBD-LJQANCHMSA-N 433.936 5.315 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4cc(C#N)ccc4OC(C)C)cc3)o2)c1 509562866 AZQWPIFBWOAIFN-UHFFFAOYSA-N 438.487 5.623 30 20 IKED CC[C@@H](C)N[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccco1 509599615 GXLRVPGSQVZSSZ-DVECYGJZSA-N 448.542 5.132 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CC)[C@@H](C)c2cc3ccccc3o2)cc1 511012393 MHXFCKHOLYOONA-IBGZPJMESA-N 431.536 5.862 30 20 IKED C[C@H](c1cccc(Cl)c1)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511442325 SSSBJVINVVMWGZ-MRXNPFEDSA-N 432.911 5.689 30 20 IKED Cc1c(NC(=O)c2sc3ccc(C#N)cc3c2C)cc(Br)cc1[N+](=O)[O-] 511446670 QRDIMMWFVAMTSP-UHFFFAOYSA-N 430.283 5.313 30 20 IKED COc1ccc(CCCCC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 512319743 MFBJPFKESWDLAO-UHFFFAOYSA-N 427.504 5.171 30 20 IKED O=C(c1cnn(-c2ccccc2F)c1C(F)(F)F)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 513513405 SHOKZLZKCAGDTD-HNNXBMFYSA-N 449.370 5.225 30 20 IKED COc1ccc(CCCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c(OC)c1 513807586 DDMLUICDPCKFMT-UHFFFAOYSA-N 431.492 5.033 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 517468421 MOINOOWRGHJWIG-AOMKIAJQSA-N 439.556 5.064 30 20 IKED Cc1ccc2c(C3=CCN(C(=O)c4ccc(COc5ccccc5C#N)o4)CC3)c[nH]c2c1 518263793 ITEIKSXOBUYIFQ-UHFFFAOYSA-N 437.499 5.450 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCCc4cc(OC(F)F)ccc43)cc2)cc1 520326259 VZQFSRCEFZKAIP-UHFFFAOYSA-N 434.442 5.739 30 20 IKED CC(=O)c1c(C)cc(C)c(CSCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1C 521734123 NUXRNQUDUDBDGU-KRWDZBQOSA-N 440.634 6.081 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2cccc(C#Cc3ccccn3)c2)ccc1OC(C)C 522073390 HLBAEORQKDDOHA-LJQANCHMSA-N 429.520 5.160 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCc3cccc(F)c3[C@H]2C)cc1 523425193 GTEJGUGIBIXNIE-MRXNPFEDSA-N 431.467 5.649 30 20 IKED Cc1cc(Br)cc2cc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)oc12 526108669 QHQPIWLCCHJXFV-CYBMUJFWSA-N 444.235 5.739 30 20 IKED N#C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(OC(F)(F)F)cc1 530876867 QHAMYXYHTNXNKX-KRWDZBQOSA-N 449.816 5.207 30 20 IKED C[C@@H](c1cccc(NCc2cccc(OCc3ccccc3C#N)c2)c1)N1CCOCC1 533213766 CEKKTIWYMZMORI-NRFANRHFSA-N 427.548 5.143 30 20 IKED O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)N1CC=C(C(F)(F)F)CC1 535302214 GXMDBHOIENTLMV-UHFFFAOYSA-N 449.326 5.758 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 535588771 BTFOJHMGBNDSGJ-UHFFFAOYSA-N 432.867 5.334 30 20 IKED N#C[C@@H](C(=O)c1csc([C@H]2CCCO2)n1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 535960555 UWAFUBRKRZRAEP-CNZZBVAPSA-N 439.606 5.409 30 20 IKED CN1CCC[C@@H](CNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)[C@@H]1c1cccs1 538064821 ZASODLBGIWIKPQ-WIOPSUGQSA-N 444.604 5.169 30 20 IKED Cc1ccc(-c2csc3nc(SCC4(C#N)CC4)n(C[C@@H]4CCCO4)c(=O)c23)cc1 539762229 XYEBGFOPBMHJCE-KRWDZBQOSA-N 437.590 5.008 30 20 IKED C[C@@H](c1ccccc1C(F)(F)F)[C@@H](C)NCC(=O)Nc1ccccc1S[C@H](C)CC#N 542566439 KTZWSZODIQTVGM-BRWVUGGUSA-N 449.542 5.820 30 20 IKED CCN(C(=O)c1nc(-c2cccc(C(F)(F)F)c2)oc1C)[C@@H](C)c1ccc(C#N)cc1 543863641 QLKPKOBDRQNCLU-AWEZNQCLSA-N 427.426 5.764 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1nc(Cc2ccccc2Br)cs1 544275494 PODONRDWYPGSJV-UHFFFAOYSA-N 441.354 5.032 30 20 IKED C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 549254177 TXUCTBAOMRNRQB-UHFFFAOYSA-N 448.411 5.063 30 20 IKED C=C(C)Cn1c(SCC(=O)NC2(c3ccc(Cl)cc3)CCC2)nnc1-c1ccco1 551692525 NYBZXEHJZABGIH-UHFFFAOYSA-N 442.972 5.055 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1c(-c2c(F)cccc2Cl)noc1C 553114424 ILKOFUJQODQDSQ-UHFFFAOYSA-N 430.911 5.438 30 20 IKED CCc1cccc(CC)c1NC(=O)Cc1noc(-c2cn(CCCC#N)c3ccccc23)n1 554822649 NVBMIMOMOAOASJ-UHFFFAOYSA-N 441.535 5.301 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cc(O)nc2cc(F)ccc12 557198497 NGGPWLHKIASUPG-UHFFFAOYSA-N 446.322 5.389 30 20 IKED CCOc1cc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)ccc1C 563826996 MWBISNXLBQMDEX-UHFFFAOYSA-N 449.894 5.288 30 20 IKED N#CCCCn1cc(-c2nc(-c3ccc(COCC(F)(F)F)cc3)no2)c2ccccc21 566861509 NBKFRKUWUGGUMK-UHFFFAOYSA-N 440.425 5.741 30 20 IKED C=CCOc1ccc(C(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccccc2C)cc1 588798487 NGYTUCLSYCLDQV-VWLOTQADSA-N 426.516 5.160 30 20 IKED CC[C@@](C)(C#N)C(=O)Nc1cc(-c2nc3ccc(Br)cc3[nH]2)ccc1Cl 588938575 LIFIMHXMMPLQNV-IBGZPJMESA-N 431.721 5.524 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)n1 603501982 LLMMSJDVXKTAQD-GFCCVEGCSA-N 427.879 5.246 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(Br)s2)cc1 604003961 NOGKXZRROVUDRW-UHFFFAOYSA-N 427.323 5.408 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3csc(-c4ccc(Br)s4)n3)[nH]c12 606753132 HQGRMTDFWBCXKB-JTQLQIEISA-N 443.351 5.309 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)o2)cc1 609055690 PMBDHZHSVVJKNI-UHFFFAOYSA-N 430.460 5.414 30 20 IKED N#Cc1ccc(C(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)nc1 609343203 DROYRFAZGBJOIY-UHFFFAOYSA-N 430.851 5.093 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)s1 609427417 QEPJMIGWDYQJHO-UHFFFAOYSA-N 431.542 6.025 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 609438980 QQFPPSKZRLTFPC-INIZCTEOSA-N 446.979 5.223 30 20 IKED C[C@@H]1CN(c2ccccc2NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@@H](C)O1 609987698 SJYNQXIOQMSRHZ-RTBURBONSA-N 426.520 5.168 30 20 IKED C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](C#N)c1ccccc1Br 609993888 AXTSILNRRQLODA-SJKOYZFVSA-N 425.248 5.028 30 20 IKED C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 611556587 OCLCVZLBNOEHFB-VQIMIIECSA-N 431.458 5.526 30 20 IKED COc1cc(OC)c2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)[nH]c2c1OC 613319113 OVXLMHHXVXBZKZ-INIZCTEOSA-N 447.516 5.116 30 20 IKED COc1ccc(COCc2cccc(NC(=O)N[C@@H]3CCc4cc(C#N)ccc43)c2)cc1 618751362 HKELIPGNJCMZKO-RUZDIDTESA-N 427.504 5.093 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 618765514 DXDVGSQARRTQNN-HSZRJFAPSA-N 444.922 5.581 30 20 IKED CCc1nc2ccc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2nc1CC 620304256 OCWHDDXXMWDSFK-CQSZACIVSA-N 448.498 5.646 30 20 IKED C=CCN(C(=O)c1cc(Cl)c2c(c1)OCCCO2)c1nc(-c2ccccc2)cs1 620908254 JAAYVWKORAHHQN-UHFFFAOYSA-N 426.925 5.458 30 20 IKED O=C(Nc1cc(F)ccc1N1CCCCC1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674564667 JCZPATLJQWKIPG-STQMWFEESA-N 427.364 5.021 30 20 IKED Cc1nnc(-c2cccc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2)o1 675513110 KWQOIRAGWLFQCT-AWEZNQCLSA-N 428.395 5.164 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 680968679 UYEIHHNKWDKKAV-YBXAARCKSA-N 433.314 5.233 30 20 IKED C=C(C)[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)c(F)c1 681329815 RDSRCAJUHZOQHR-HUBLWGQQSA-N 430.339 5.354 30 20 IKED O=C(Nc1ccc(CC(F)(F)F)cc1)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1 682275929 OTSZDQJLNLXBKZ-UHFFFAOYSA-N 440.290 5.023 30 20 IKED Cc1cc(C(F)(F)F)ccc1CNC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 682418597 MCYKASLNBFRPME-BETUJISGSA-N 436.318 5.286 30 20 IKED Cc1c(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)c(C#N)c2n1CCC2 730086237 ZAHYWDIWJQCCCW-QXMHVHEDSA-N 429.907 5.416 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 730394353 HRPVOPGQBCSSTG-HXUWFJFHSA-N 437.430 5.485 30 20 IKED C[C@@H](Sc1ccc(Br)cc1)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 730417065 KEJCRPQVOYGLPF-YGRLFVJLSA-N 435.343 5.555 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@H]1c1cccc2ccccc12)c1nc(O)c2c3c(sc2n1)CCCC3 730918213 WPFQCPSVOGOACG-SLFFLAALSA-N 439.540 5.409 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1 731064131 VXLQDCGNVXDAGH-OAHLLOKOSA-N 446.956 5.074 30 20 IKED N#CCOc1ccc(CSc2nc3scc(C4CC4)c3c(=O)n2-c2ccccc2)cc1 731156158 LDPLLDHFRQDQSK-UHFFFAOYSA-N 445.569 5.519 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 731399449 CITDTEUZGPSFSR-KXBFYZLASA-N 433.499 6.469 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccco3)Cc3ccccc3O)cc2)c1 731400921 YDFJDAQTIQVMNQ-UHFFFAOYSA-N 439.471 5.883 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-n3nc(C)cc3C)c(F)c2)cc1 732708203 NYNLHLGGDKWNSL-BTYIYWSLSA-N 432.499 5.103 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2csc(-c3ccc(O)cc3)n2)cc1 733888665 CTUIUVSKLSRANW-UHFFFAOYSA-N 443.503 5.369 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cccc(COc2cccc(C#N)c2)c1 734706226 WTAFVHSXFCYHNU-HSZRJFAPSA-N 433.467 5.132 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3ccc(CSc4ccccc4)cc3)o2)c1 741824582 AWSIROCCTJDAQC-UHFFFAOYSA-N 427.485 5.258 30 20 IKED N#Cc1cnc2ccc(Cl)cc2c1N1CCO[C@@H](c2ccccc2Br)C1 742398795 AWBUGSWHSABISP-LJQANCHMSA-N 428.717 5.100 30 20 IKED CC(C)(C)c1ncc(/C=C/C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)s1 742556506 XMGICQYUSCHCHU-VAWYXSNFSA-N 433.552 5.694 30 20 IKED CC(C)(C)c1ncc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)s1 744035993 WCEQNCWSCQHHJW-FDMDGMSGSA-N 427.982 6.107 30 20 IKED CCCCc1oc2ccccc2c1/C=C/C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1 744510972 RLTIOSZCUKRBPZ-BUHFOSPRSA-N 427.460 5.454 30 20 IKED Cc1cc(-c2noc([C@@H](C)ON=Cc3c(C)nn(Cc4ccccc4)c3C)n2)ccc1F 748100628 WECNWVJWNMQDFL-GOSISDBHSA-N 433.487 5.157 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)c1C#N 748755838 PUJPHTPOEFZUEX-UHFFFAOYSA-N 446.601 5.429 30 20 IKED CCN(C(C)=O)c1nc(/C=C\C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 750915016 BSTKDXOIBWWQFK-PLNGDYQASA-N 436.377 5.450 30 20 IKED O=C(/C=C\c1ccc(-c2ccncc2)cc1F)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 751535049 LNCDVZQUTHQVPU-YVMONPNESA-N 449.425 5.120 30 20 IKED CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)Nc1ccccc1S[C@H](C)CC#N 751549209 VLGZZFSQXOBATC-DYESRHJHSA-N 429.561 5.443 30 20 IKED N#CCOc1cccc(CC(=O)Nc2ccc(Cl)cc2-c2nc(C3CCCC3)no2)c1 760530562 IBFXZIWQZQZETF-UHFFFAOYSA-N 436.899 5.131 30 20 IKED COC(=O)C1C/C(=C/c2cnc(C(C)C)s2)C(=O)/C(=C\c2cnc(C(C)C)s2)C1 761484801 BLLPAFJNVWRANS-SFGFDRCGSA-N 430.595 5.466 30 20 IKED CC(=O)c1ccc(Cl)c(S(=O)(=O)O[C@H](Cc2ccc(Cl)cc2)C(F)(F)F)c1 761931851 NOZTYNYWEZVXFV-MRXNPFEDSA-N 441.254 5.075 30 20 IKED N#Cc1cc(NC(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)c(Cl)c([N+](=O)[O-])c1 764306299 HXIZCEYEKGWNQL-HXUWFJFHSA-N 443.793 5.157 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCOc3ccc(C(C)C)cc3C2=O)cs1 767739824 ZOSLQOFQAYQYFB-MOSHPQCFSA-N 446.572 6.308 30 20 IKED N#CCCCn1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)c2ccccc21 769542766 HZSYLMGBERQNLZ-UHFFFAOYSA-N 430.291 5.047 30 20 IKED Cc1cc(C)c(NC(=O)CCCOC(=O)c2cn(CCCC#N)c3ccccc23)c(C)c1 769545733 ZOFDMKLULZWUAG-UHFFFAOYSA-N 431.536 5.446 30 20 IKED O=C(/C=C\c1nc2ccc(Br)cc2s1)c1cc(Br)ncc1F 773143100 MJMBPQJKGMUBFO-ARJAWSKDSA-N 442.107 5.252 30 20 IKED C[C@H](N[C@H](C)c1ccc(OCC#N)cc1)c1nc(-c2ccc(Br)cc2)cs1 776163611 JLWTWDJXTSDDKS-CABCVRRESA-N 442.382 5.887 30 20 IKED O=C1[C@@H](/N=C/c2cc(Cl)cc(Cl)c2O)CCCN1Cc1cccc(C(F)(F)F)c1 776726336 WKAAABPVJALEKG-CEDONSPHSA-N 445.268 5.328 30 20 IKED Cc1nc2c(s1)[C@H](NC(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)CCC2 780502132 WUAJSZLCEDXJLG-WIYYLYMNSA-N 436.968 5.960 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 780682799 YEZBSVVVAGSQHM-HNNXBMFYSA-N 430.335 5.996 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)c1 780706478 LKICYPQMXOAUSQ-MRXNPFEDSA-N 444.409 5.456 30 20 IKED C[C@H](OC(=O)c1cn(CCCC#N)c2ccccc12)c1nnc(-c2ccccc2F)s1 785019918 VOQMOVITDZEFRB-HNNXBMFYSA-N 434.496 5.521 30 20 IKED Cc1oc2ccccc2c1CC(=O)[C@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 787054384 UTTXHNQILLZTPL-SGTLLEGYSA-N 429.303 5.177 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3cc(Br)ccc3C2)cc1 792227891 DPTUHQPJSNXDTD-HSZRJFAPSA-N 446.348 5.695 30 20 IKED CCc1cccc2c1OC/C(=C/c1csc(N(C(C)=O)c3ccc(F)cc3F)n1)C2=O 794728054 MABLLPPVDKRFJH-DHDCSXOGSA-N 440.471 5.327 30 20 IKED C#CCN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1 796638578 BCQUYVYKLDVJPS-UHFFFAOYSA-N 444.387 5.770 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(c2cccc(Br)c2)CC1 799224704 BQYUERWIPGFNOS-OAHLLOKOSA-N 428.330 5.151 30 20 IKED COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1c(C)oc(-n2cccc2)c1C#N 800566786 OBWOSPDXDPGDEF-UHFFFAOYSA-N 437.459 5.055 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)c1cc(C#N)ccc1Cl 803130806 YEEHSVPGBMVOLD-HXUWFJFHSA-N 425.916 5.366 30 20 IKED C=CC[C@@H](NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccncc1 806818744 FYKPPYBRZAZTNM-RTWAWAEBSA-N 433.474 5.185 30 20 IKED C#C[C@H](NC(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccc(Cl)cc1 810153363 BEWKEEQUQNNZBE-KRWDZBQOSA-N 435.833 5.203 30 20 IKED Cc1cc(C(C)(C)C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)ccc1Br 810536798 OGKJAXSRRAEGFU-CQSZACIVSA-N 446.295 5.656 30 20 IKED C#CCC(C)(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 810646992 YGQKAFCXLYCYAN-UHFFFAOYSA-N 440.224 5.021 30 20 IKED Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cs1 810789588 KJSFKMPTCDNDKF-OAQYLSRUSA-N 449.551 5.007 30 20 IKED COC(=O)C12CCC(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)(CC1)CC2 815912872 BOEXWRWQWFVXAH-LJLKPOLSSA-N 436.455 5.005 30 20 IKED O=C(NCc1ccc(C(=O)N(O)Cc2cc(Cl)cc(Cl)c2)cc1)c1cccs1 901380466 XACRYOQWORYDJF-UHFFFAOYSA-N 435.332 5.017 30 20 IKED FC(F)Oc1ccc(NC(=S)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 914706714 FCDQMHJXVIRUFW-IUCAKERBSA-N 436.368 5.484 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1 915087746 XIAZWPAKAYIMKK-QFIPXVFZSA-N 441.918 6.222 30 20 IKED COc1ccc(OCCCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 915104842 VHCIZKBVPMTENY-INIZCTEOSA-N 434.439 5.359 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1 916915305 BPDVUHNLKDGMTC-FQEVSTJZSA-N 429.476 5.148 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cccc(NC(=O)c2cccs2)c1 916916272 QZBLWLJCNTVNOV-FQEVSTJZSA-N 439.496 5.115 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1 916956022 WWWCMPBZPPYGCO-OXJNMPFZSA-N 449.938 5.789 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 917119392 CAKSTYMHFDIUSB-XMMPIXPASA-N 440.503 5.493 30 20 IKED Cc1ccc(N2C(=O)/C(=C\c3cccc(OCc4cccc(C#N)c4)c3)NC2=S)cc1C 917358064 YDCROPPBCXGQMV-ZVHZXABRSA-N 439.540 5.016 30 20 IKED COc1cccc([C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 920111423 VWVJYRALJCRGNI-PXAZEXFGSA-N 431.344 6.105 30 20 IKED Cc1cc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1Cl 920807000 VKKOSOMVSIGFGV-JSGCOSHPSA-N 432.879 5.694 30 20 IKED CCN(CC)[C@@H](C/N=C/c1cc(Br)cc(Br)c1O)c1ccco1 921261023 KUDGNJMMRUXWCH-VYXQJKENSA-N 444.167 5.012 30 20 IKED Cc1ccc(Cc2sc(NC(=O)CN3CCC[C@H]3[C@@H](C#N)c3ccccc3)nc2C)cc1 1615607986 UDICPMHRXZQIQJ-GOTSBHOMSA-N 444.604 5.061 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc4cccn4cn3)cc2)CCC1 1789095896 WVPZQTCWAYTTSC-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CNc4ccccc43)CCC2)cc1 1789626459 XWKPLFVZINFJFZ-QFIPXVFZSA-N 431.580 5.322 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792127441 YQDZHLWGMVTVNO-QGZVFWFLSA-N 437.490 5.273 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)C1 1805457543 DHNKWGQOKJEASU-UHFFFAOYSA-N 448.529 5.319 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3ccccc3o2)[C@H]1c1cccnc1 1810499572 DKLGUHGJKIEROB-QPPBQGQZSA-N 445.563 5.140 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2F)CC1 1823899643 KFFIWMDRJCHZPH-NFBKMPQASA-N 446.994 5.481 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCCC2(F)F)CC1 1828822701 ZWQUHBPNYPMWQG-BHIFYINESA-N 436.587 5.200 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1831368034 QCVAQWFJSSEXEN-UZUQRXQVSA-N 442.003 5.267 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(OC)c2C)CC1 1832535802 RIESRTIKJDSYFJ-XMMPIXPASA-N 438.612 5.005 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 1844756442 QDYCKKPSKMDOGR-QFIPXVFZSA-N 432.539 5.078 30 20 IKED Cc1c(C#N)c(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)nc2c1CCC2 22120381 KRDWWRRWZBACAU-UHFFFAOYSA-N 425.863 5.153 30 20 IKED Cc1cc(C)c(C(=O)/C(=C(/S)NC2CC2)[n+]2ccc(Cc3ccccc3)cc2)cc1C 22688435 VBQMEJQIFZYBPB-UHFFFAOYSA-O 429.609 5.181 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c(C(C)C)cccc1C(C)C 32789166 MSKGMXQYKSNJGX-UHFFFAOYSA-N 448.636 6.033 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2ccccc2OC(F)F)n1 36758005 LMUNBUVDSQJZAX-JTQLQIEISA-N 431.386 5.001 30 20 IKED COc1ccc(C2(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)CCCC2)cc1 58820070 NULZYUCSPZAYBB-UHFFFAOYSA-N 439.515 5.270 30 20 IKED COc1c(C)cnc(CN(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)c1C 58957885 MTAKPTGRWNZXSQ-UHFFFAOYSA-N 431.561 5.143 30 20 IKED Cc1ccc(-c2nnc(NC(=O)c3ccc(COc4ccccc4C#N)o3)s2)c(C)c1 65085758 LLDJZOPICZVDQP-UHFFFAOYSA-N 430.489 5.118 30 20 IKED C=CCOc1cccc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 108870061 ZULZZGRPFBQSBR-UHFFFAOYSA-N 439.865 5.174 30 20 IKED N#CCCCOc1cccc(/C=C2/CCC/C(=C\c3cccc(OCCCC#N)c3)C2=O)c1 110424279 WGWQFLMXAGXTGE-ZFQRDYFNSA-N 440.543 6.272 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)CCC)cc2)nnc1-c1ccoc1C 115119270 TTXNDLRTFQGZLQ-INIZCTEOSA-N 438.553 5.135 30 20 IKED C[C@H](NC(=O)CNc1ccccc1S[C@H](C)CC#N)c1ccc(Br)cc1 303366802 RIEBOBCSGCBZLH-CABCVRRESA-N 432.387 5.133 30 20 IKED Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)c2cccc(SCC#N)c2)n1 429952819 KYKGBBQTQVAWCB-UHFFFAOYSA-N 430.455 5.376 30 20 IKED C=CCN(C(=O)CS[C@@H](C)C(C)=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 434829750 HLBNKRBGEQRRPU-LBPRGKRZSA-N 429.394 5.347 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1 435665368 VJQCUVFXASZTFP-HXUWFJFHSA-N 433.474 5.371 30 20 IKED COc1cc(OC)c(NC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1Cl 440774142 WKLFSQGPVFSNBX-UHFFFAOYSA-N 437.883 5.452 30 20 IKED C=CCC[C@H](NC(=O)NC1CCN(Cc2ccccn2)CC1)c1ccc(C(F)(F)F)cc1 440832470 LJINPBHYDSMVGJ-QFIPXVFZSA-N 446.517 5.072 30 20 IKED Cc1c(CSC(C)C)cccc1NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 441048758 JRVZWOIMSQPVON-MRXNPFEDSA-N 441.622 5.466 30 20 IKED C[C@@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)Nc2cc(C#N)ccc2Cl)cc1 442096053 ZYFBTTOXDVTEIK-OAHLLOKOSA-N 435.936 5.642 30 20 IKED C=CCC[C@H](NC(=O)Nc1cc(C)nn1C1CCN(C)CC1)c1ccc(C(F)(F)F)cc1 442205017 GKMZBKRATYBCBB-FQEVSTJZSA-N 449.521 5.306 30 20 IKED CN(C(=O)CNc1ccc(Oc2nncc3ccccc23)c(Cl)c1)C1(C#N)CCCCC1 443459587 GDPKHCLTCHEKKI-UHFFFAOYSA-N 449.942 5.172 30 20 IKED C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 443600194 FHASQNOSCGZAQW-MRXNPFEDSA-N 434.927 5.278 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 443940080 RWDDUXGHHGCHQX-HZPDHXFCSA-N 438.528 5.630 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]1c1csc(C)n1 460765809 DLPJQJSVACAITC-GOSISDBHSA-N 429.977 5.290 30 20 IKED N#C[C@@H](C(=O)c1cc(Br)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccn1 464467253 MPSVADCKRCTBCI-GFCCVEGCSA-N 437.137 5.372 30 20 IKED CCO[C@@H]1C[C@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C12CCCC2 466430179 GUHBTNNKYLNLJX-BJKOFHAPSA-N 433.552 5.191 30 20 IKED C[C@H]1CCN(C(=O)Nc2ncccc2OCCCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 466621249 XBZGDUJJYNMUBZ-KXBFYZLASA-N 432.446 5.398 30 20 IKED Cc1ccc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)c(OC[C@@H]2CCCO2)c1 467489985 BXRPUYLFWKBNQR-QUCCMNQESA-N 439.581 5.269 30 20 IKED N#Cc1ccc(SCC(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1 474261933 BRMZSZLXDZUFGB-INIZCTEOSA-N 432.389 5.479 30 20 IKED CCOc1ccc([C@@H]2CCCN2C(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1 479160715 IOQOCLJBKFSFQQ-HQNXYIODSA-N 433.552 5.194 30 20 IKED CC[C@H](C)n1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1C 480998061 KUOXPXFECGBVAA-XHDPSFHLSA-N 433.364 6.083 30 20 IKED CC[C@H](C)n1ncc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1C 483698708 HMFXHQYVNQPISY-HNNXBMFYSA-N 437.931 5.911 30 20 IKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc2ncsc2c1 486552024 YOCWWJHQSSNXOE-KRWDZBQOSA-N 442.544 5.824 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2cccc(Cl)c2)o1 488500533 PMTYJHKOQZVWSD-ZDUSSCGKSA-N 444.969 5.515 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc(COc2cccc(F)c2)c1 494326640 NXMDRQWINAQOTG-UHFFFAOYSA-N 434.467 5.083 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCCSc2ccc(F)cc2)cc1C 494632122 QSIWGZPTEVMKLP-UHFFFAOYSA-N 436.556 5.132 30 20 IKED CCN(C)C(=O)c1cccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 496710144 ZXOYQMGXTYPABR-GOSISDBHSA-N 426.520 5.200 30 20 IKED C[C@H](NC(=O)NCc1cccc(C#N)c1)c1nc(-c2ccc(Br)cc2)cs1 498285656 FERIRXVRJGNKCG-ZDUSSCGKSA-N 441.354 5.005 30 20 IKED N#CCCN(Cc1cccnc1)C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1 499341373 FJWTVEGALOCIPA-DEOSSOPVSA-N 435.980 5.500 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)cc1 499748189 GRVPQPAOTWRGEP-NHCUHLMSSA-N 439.353 5.006 30 20 IKED COc1ccc([C@@H](NC(=O)NCC(C)(C)CCC#N)c2ccc(C(F)(F)F)cc2)cc1 501376722 PMXBKEXYEOOOCM-FQEVSTJZSA-N 433.474 5.433 30 20 IKED C=CCN(Cc1ccccc1)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 503064961 KICKKZDSNAKHAD-UHFFFAOYSA-N 437.893 5.185 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)c3ccccc3NC(=O)c3ccc(Cl)cc3)CC2)cc1 503872286 LHQJITNQRXTLMY-UHFFFAOYSA-N 441.918 5.393 30 20 IKED Cc1ccc(-n2ncc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c2C(F)(F)F)cc1 503982047 XEWZZXTUEVYUQL-UHFFFAOYSA-N 436.437 5.001 30 20 IKED Cc1n[nH]c(C)c1CC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 504246265 YFVRFBNFKKLNSR-AWEZNQCLSA-N 447.301 5.026 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3)cc2)cc1 508133707 RJCZFRISDXAIEH-UHFFFAOYSA-N 426.516 5.332 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc(OC)c1OC 510677108 BYRVBJDTWXAKRP-INIZCTEOSA-N 447.491 5.259 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 511011552 CSSPDWXWMCBEDR-SFHVURJKSA-N 446.576 5.304 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1 511397720 KKORJFUWRLBYBF-VWLOTQADSA-N 429.495 5.840 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(C(F)F)c3)s2)c(C(F)(F)F)c1 511567859 QZZHHTFADYKWIK-UHFFFAOYSA-N 437.393 5.814 30 20 IKED Cc1ccccc1OCCCC(=O)Nc1ccc(CN[C@H](C)c2ccc(C#N)cc2F)cc1 512659046 CFETWQYJCVVDCI-HXUWFJFHSA-N 445.538 5.654 30 20 IKED N#Cc1cnc(Sc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)c(Cl)c1 513634946 HZUAGFJXPUUABF-UHFFFAOYSA-N 438.343 5.718 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4cccc(C)c4)c3C)n2)cc1 516270350 UNEZFMCBWANSIL-HXUWFJFHSA-N 428.517 5.111 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)cc1 518539885 XKXWVLKCTIQCPH-UHFFFAOYSA-N 434.923 5.016 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 521258961 GWULGDFKRCXNFP-UZLBHIALSA-N 447.526 6.716 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCCSCc3ccccc3C#N)cc2)cc1 521366262 KAUUEZBBSCGMQJ-UHFFFAOYSA-N 428.517 5.277 30 20 IKED CC(C)n1c(CCNC(=O)c2cccc(COc3ccccc3C#N)c2)nc2ccccc21 522927403 UJFSFXIXITVXHV-UHFFFAOYSA-N 438.531 5.040 30 20 IKED COc1ccc(Br)c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1 524104912 LDWLZCRLINBWPU-UHFFFAOYSA-N 437.293 5.161 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ncc(Cc4ccccc4F)s3)o2)cc1 524381332 ZBCXMFSJAPRNJP-UHFFFAOYSA-N 433.464 5.169 30 20 IKED Cc1cnccc1N1CCC(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 530967933 HUSTULKURAOPKG-UHFFFAOYSA-N 430.483 5.048 30 20 IKED C[C@H](C#N)CN(C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)C1CC1 533141620 ZITMZMDVCJVZQK-CYBMUJFWSA-N 438.534 5.120 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1cc(Br)ccc1Cl 535135057 RYZHIAVEQZBJHA-GFCCVEGCSA-N 439.762 5.514 30 20 IKED COC(=O)[C@H]1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c2ccccc21 535467200 CCDGBYISBBAKNQ-NRFANRHFSA-N 446.890 5.311 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cc(Br)cc(Cl)c2O)c1 535654559 HHEPHIQKULQAKO-UHFFFAOYSA-N 447.672 5.104 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 536429693 LJTHFTGQYVXMCW-UHFFFAOYSA-N 440.528 5.582 30 20 IKED C[C@H](C#N)CSc1ccccc1N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 538445935 SXSBOFPYMCSHFT-OXQOHEQNSA-N 447.526 5.560 30 20 IKED CN1CCC[C@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 540718565 KYNOLJUNZDLMTC-DENIHFKCSA-N 441.497 5.073 30 20 IKED CC(=O)CCc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 542001942 XCORVKQJFNIZRB-LEWJYISDSA-N 440.543 5.392 30 20 IKED COc1ccccc1-c1nn(C)cc1C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542928996 ZTMDMVBJQOWKSV-GOSISDBHSA-N 436.515 5.125 30 20 IKED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(c2ccc(Br)cc2)CC1 549640095 WPKYASSMZCBHHH-OXJNMPFZSA-N 445.405 5.098 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCN([C@H](C)c2nccs2)CC1 549676074 IJFBVRHULDLTIM-LJQANCHMSA-N 444.608 5.014 30 20 IKED C=CCn1c(S[C@H](C)c2nccn2-c2ccccc2)nnc1[C@@H]1COc2ccccc2O1 553365509 MQORDGSAAMRNJZ-UTKZUKDTSA-N 445.548 5.016 30 20 IKED CC(C)[C@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(C(F)(F)F)cc1 554524651 JAXYIDPFNOMXMD-FQEVSTJZSA-N 430.474 5.064 30 20 IKED C[C@@H](Oc1ccccc1NC(=O)C(=O)N[C@H](CCCC#N)c1ccccc1)c1ccccc1 556623870 IWFJYJJACQLHRD-NFBKMPQASA-N 441.531 5.316 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)CCCc1nc(-c2ccc(F)cc2)no1 556672624 OMKJNOYGFNVINZ-UHFFFAOYSA-N 440.478 5.303 30 20 IKED CCOc1ccc(NC(=O)c2ccc(NC(=O)CSc3cccc(F)c3C#N)cc2)cc1 573428307 GJUOBFPDOVMZHL-UHFFFAOYSA-N 449.507 5.079 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(c2noc3cc(F)ccc23)CC1 576915569 WTOAKCQLFCDDEA-UHFFFAOYSA-N 441.462 5.651 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)c1 580480291 STRIQRXFSWJELJ-HSZRJFAPSA-N 442.519 5.155 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)C(=O)Nc3cccc(-c4cccs4)c3)cc2)ccn1 584560323 IAWCQKFHNVSICX-UHFFFAOYSA-N 440.484 5.051 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3sc4c(c3C#N)CCC4)cc(-c3cccs3)nc21 589196114 DVFXBTXUTQUKQJ-UHFFFAOYSA-N 433.562 5.415 30 20 IKED CCCN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H](CC)c1ccccc1 603618748 IWPRUDFYEKYXLC-QFIPXVFZSA-N 446.551 5.413 30 20 IKED Cc1nc(-c2ccc([C@H](C)NC(=O)c3ccc(COc4ccccc4C#N)o3)cc2)cs1 603862514 ZSDPDOCZNOMBOK-INIZCTEOSA-N 443.528 5.653 30 20 IKED Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 604003596 GOJYWTFKBZUJAG-UHFFFAOYSA-N 428.532 5.781 30 20 IKED N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1 609094327 HZPGCGAIQCAEFV-KRWDZBQOSA-N 430.489 5.142 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSC(c1ccccc1)c1ccccc1 609369818 LXXBZDKXNXQSQO-IBGZPJMESA-N 432.614 6.400 30 20 IKED N#C[C@H](c1ccccc1)N1CCN(C(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)CC1 609428999 FXWIDFVFRGRRCV-XMMPIXPASA-N 448.526 5.031 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC=C(c3ccc(O)cc3)CC2)c1 609722303 RKTUDGGDJIZBAN-UHFFFAOYSA-N 430.891 5.639 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1)C1CC1 609930385 AZUCRUHBXJXPEH-UHFFFAOYSA-N 440.503 5.505 30 20 IKED Cc1nn(C)cc1[C@H]1CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 610730434 PICOYJVXLSBSGN-JOCHJYFZSA-N 449.942 5.202 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 611492565 KJZMXSZZZTXHMN-GASCZTMLSA-N 442.359 5.553 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@H](C#N)c1nc2ccccc2s1 613289567 PVTQXAKRPRLLFV-AWEZNQCLSA-N 443.475 6.237 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnn1-c1ccccc1F 613405232 VMDBGCDRAKTBCP-ZDUSSCGKSA-N 444.413 5.438 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 615490792 FNBDQMYATALYQR-UHFFFAOYSA-N 430.430 5.120 30 20 IKED O=C(N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1)C1(C(F)F)CCCC1 622517842 PWIKDPRCBSBFSY-AWEZNQCLSA-N 445.350 5.450 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3C(=O)c3ccc(F)cc3)cn2)c1 642322402 MGMVQROSWJXICX-UHFFFAOYSA-N 437.430 5.368 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)nnc1-c1ccccc1 662024500 KJXSLTKVSRXOQB-HOTGVXAUSA-N 426.973 5.143 30 20 IKED N#CCOc1ccc(CNC(=O)c2oc3ccccc3c2CSc2ccccc2F)cc1 727675185 XQQNMIRDBINDRR-UHFFFAOYSA-N 446.503 5.697 30 20 IKED Cc1cc(N2CCSCC2)ccc1NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 728272662 KYUPFQMHSNVJLL-UHFFFAOYSA-N 430.577 5.080 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N(CCc3ccccc3)C3CC3)c2)cc1 728736842 HKPSRCOIUJKOKC-UHFFFAOYSA-N 425.532 5.571 30 20 IKED COc1ccc(OCc2nc(/C=C/C(=O)c3oc4ccc(OC)cc4c3C)cs2)cc1 729149362 DHQSSDJTLKYOEG-ONNFQVAWSA-N 435.501 5.690 30 20 IKED Cn1c([C@H](C#N)C(=O)CCCSc2ccc(Br)cc2)nc2ccccc21 731136100 KVRSGEMJUJYZBR-MRXNPFEDSA-N 428.355 5.085 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(Oc2ccccc2)nc1 733679009 RSDTVTIWBVLFDX-JOCHJYFZSA-N 449.466 5.627 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1 733851706 HVICQPQERMZAGK-OALUTQOASA-N 434.565 5.066 30 20 IKED CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(Cl)ccc1OCC#N 735310062 YVUFFBPTHQKQBZ-UHFFFAOYSA-N 439.865 5.110 30 20 IKED CC(C)Oc1ccc(-c2nc(C(=O)OCc3cc(Cl)ccc3OCC#N)cs2)cc1 735349241 NNOYMAGDBUIYDU-UHFFFAOYSA-N 442.924 5.510 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](COCc3ccccc3)C2)cc1 743093309 RHUVENFEDFIJGQ-ATIYNZHBSA-N 425.532 5.413 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 744028722 LSCWKCPUZNMIJS-SLFFLAALSA-N 429.347 5.569 30 20 IKED COc1ccccc1-c1ccc(CN(C(=O)NCc2ccc(OCC#N)cc2)C(C)C)cc1 745798551 GSHCATVMNWOVGS-UHFFFAOYSA-N 443.547 5.385 30 20 IKED COc1cc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccncc2)ccc1OC(F)F 747116050 DZSNWHGKTOFLHF-CLFYSBASSA-N 447.441 5.440 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc3cc(O)ccc3c2)cs1 749005001 VYBZZWYCDTUCPV-YRNVUSSQSA-N 432.476 5.722 30 20 IKED N#Cc1ccccc1N1CCC(NC(=O)c2sc3cccc(Cl)c3c2Cl)CC1 749532661 CXVHWZYHKSDUCI-UHFFFAOYSA-N 430.360 5.479 30 20 IKED Oc1c(Cl)cc(Cl)cc1/C=N/C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 749749097 VFMLJFUCEJIPPZ-IBNQTYSGSA-N 447.284 5.210 30 20 IKED C=CCC[C@H](NC(=O)NCc1cccc(N2CCOC2=O)c1)c1ccc(C(F)(F)F)cc1 749872546 ULYGMRLRHCFURN-FQEVSTJZSA-N 447.457 5.169 30 20 IKED CCCNC(=O)Nc1ccc(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 751329709 VRIDPJDEPPGNKC-XMMPIXPASA-N 426.520 5.055 30 20 IKED CN(C(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12)c1ccccc1C#N 752819136 ILSCKJFJQKXGHI-UHFFFAOYSA-N 443.304 5.208 30 20 IKED C#CC[C@@H](NC(=O)N(C)Cc1ccc(OCc2ccccc2)c(OC)c1)c1ccccc1 757059411 VHJZSQMCMKCIJN-XMMPIXPASA-N 428.532 5.180 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2C2CC(F)(F)C2)cc1 757894134 HQACXXOSECZPRN-IBGZPJMESA-N 443.519 5.061 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(Br)c(Cl)c1 763479743 UXNLKJONESAUSQ-HNNXBMFYSA-N 427.685 5.217 30 20 IKED N#Cc1cc(NC(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)c(Cl)c([N+](=O)[O-])c1 764301452 JKYHFTOOZVUPRZ-KPKJPENVSA-N 430.169 5.358 30 20 IKED Cc1ccccc1-c1nnc(C)n1-c1ccc(OCc2nnc(-c3ccc(C#N)cc3)o2)cc1 764576692 WNNMOOHLOBNQFS-UHFFFAOYSA-N 448.486 5.052 30 20 IKED CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)c2c[nH]c3ccccc23)cc1 776743511 OTYHPFJTDFWNDF-RUZDIDTESA-N 448.570 5.351 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)nn1-c1ccc(Cl)cc1 778299126 UBMXUZQATUARMQ-HNNXBMFYSA-N 447.709 5.102 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 780160499 ROJBZVNHJVHXHO-QGZVFWFLSA-N 428.517 5.170 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cc3ccccc3s2)cs1 780189301 XKDLLUCALYKGSM-FLIBITNWSA-N 438.961 6.592 30 20 IKED N#C[C@H](C(=O)CC1CCC(C(F)(F)F)CC1)c1nc(-c2c(F)cccc2F)cs1 783364997 XHTXRKDHAGMNNZ-WXRRBKDZSA-N 428.426 6.023 30 20 IKED CCCc1c(NC(=S)Nc2cccc(OC(F)(F)F)c2)cnn1-c1cccc(C#N)c1 783951687 FRDJGZWLOYTOGU-UHFFFAOYSA-N 445.470 5.404 30 20 IKED N#C[C@@H](C(=O)NCc1ccc(F)cc1F)C(=O)c1cc2sc3ccccc3c2s1 786555292 SMQUUAMVWLAVFQ-CQSZACIVSA-N 426.469 5.033 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1 789449573 HJYIEBWUSJFFMX-UHFFFAOYSA-N 429.605 5.838 30 20 IKED O=C(/C=C\c1ccc(-c2cccc(F)c2F)o1)c1ccc(S(=O)(=O)CC(F)F)cc1 790220885 XQBGVTUQNJOCKD-POHAHGRESA-N 438.398 5.160 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccccc2)c1Br)c1nc(-c2ccccc2)cs1 791779069 WQXWXUSUNONHLF-MRXNPFEDSA-N 449.333 5.248 30 20 IKED Cc1c(-c2ccccc2)oc2c(C(=O)[C@@H](C#N)c3cnc4ccccc4n3)cccc2c1=O 792111169 RZNDMNIAZKKZDF-FQEVSTJZSA-N 431.451 5.202 30 20 IKED COc1ccc2ccccc2c1-c1cc(COC(=O)C[C@@H](CC#N)c2ccccc2)on1 795981029 GYCFPIYQMZPXBX-HXUWFJFHSA-N 426.472 5.634 30 20 IKED CC(=O)N(c1nc(COC(=O)C[C@H](CC#N)c2ccccc2)cs1)c1ccc(C)cc1C 795981993 GDVGTVXZOIKLIZ-NRFANRHFSA-N 447.560 5.575 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC=C(Br)C2)cc1Cl 799387034 HZICHJPQPXIEGH-SFHVURJKSA-N 430.733 5.512 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2nc3c(Br)cccc3s2)c1 806741622 LOVBVRMDMLOFGI-ZDUSSCGKSA-N 445.342 5.061 30 20 IKED CC[C@@H](C#N)Oc1cc(CNc2cc(C(F)F)nc3ccc(Cl)cc23)ccc1OC 807974610 MXORLLUEXJJBSM-HNNXBMFYSA-N 431.870 6.127 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)C2CCN(c3noc4ccc(Cl)cc34)CC2)n1 815971013 QBOQNHGFTPQFNX-MRXNPFEDSA-N 428.945 5.154 30 20 IKED C=CCn1c(S[C@@H](C(=O)NC2CCCCCCC2)C(C)C)nnc1-c1ccoc1C 877766622 GYZHYHSBUXWWRH-HXUWFJFHSA-N 430.618 5.378 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC 915353138 LJKIOHRTAHOQMG-ZEQRLZLVSA-N 441.531 5.728 30 20 IKED CCOc1cc(C=NN(c2ccccc2)c2ccccc2)ccc1O[C@@H](C)C(=O)N(C)C 916250242 YDWFBJODOMZHOA-FQEVSTJZSA-N 431.536 5.113 30 20 IKED N#C[C@H](C(=O)C1=Cc2cc(Br)ccc2OC1)c1nc2cc(Cl)ccc2s1 917046215 HVAZHHLGYYJCHP-CQSZACIVSA-N 445.725 5.364 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cccc(Br)c2)cs1 917557651 FCDXLARIYHBMDB-FLIBITNWSA-N 441.350 5.795 30 20 IKED Cc1cc(Nc2ccc3c(c2)CCCC3)c(C(=O)N[C@H](C)c2cccc(C#N)c2)c(O)n1 1638252857 HZEBXZGKYPKCMI-QGZVFWFLSA-N 426.520 5.081 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Cc3ccccn3)CCC2)cc1 1786104534 ZHRFFXLNMFKAND-HXUWFJFHSA-N 431.580 5.163 30 20 IKED C[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1)n1cccc1 1790082479 CIDLCTZDUUNJSZ-KRWDZBQOSA-N 446.938 5.022 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3onc4ccccc34)cc2)CCC1 1790902299 AUENJTDPQSMZAP-UHFFFAOYSA-N 429.520 5.344 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cccc4ccn(C)c34)CCC2)cc1)C(F)(F)F 1791302599 BLPJWJAUMCWRHD-UHFFFAOYSA-N 441.453 5.045 30 20 IKED Cc1ccn(C)c1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792125064 RGNDPQZRPDJCRX-IBGZPJMESA-N 440.547 5.022 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3[nH]c4c(Cl)cccc4c3C)CCC2)cc1 1792264492 ZLLXUYXJOJSGCH-UHFFFAOYSA-N 433.939 5.291 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)CSc3ccc(C)cc3)CC2)C1 1804862744 ZVLGVSRFDIDACM-UHFFFAOYSA-N 442.669 5.311 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3cnccc3c2)n[nH]1 1818644870 XNHXCRVTLPLLAM-JTHBVZDNSA-N 443.551 5.032 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1 1824053416 XJTVYJDHWFYHGN-VWLOTQADSA-N 449.639 5.103 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)ccc2F)CC1 1828826954 FYKQCKDWIOULCK-ZJSXRUAMSA-N 426.576 5.136 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccccc3n2C)CC1 1829066464 FNRMZXNUKVTZED-XMMPIXPASA-N 449.639 5.404 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2cccc3ccccc23)CC1 1831369322 ITGSJFSZBQQAAW-PXDATVDWSA-N 448.607 5.051 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)CC1 1831378104 RPIPXXUCTLHXPI-ZIBCJSCZSA-N 442.566 5.187 30 20 IKED Cc1ccc2c(CC(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)coc2c1C 14621303 WJLPHAAKFDGZCL-UHFFFAOYSA-N 434.546 5.246 30 20 IKED N#CCc1ccc(N[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)cc1 15499155 UIHIZPCYNLJIGZ-OAQYLSRUSA-N 443.856 6.217 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1cccc(C)c1 22010880 NZFJAZWNEHGZDA-AWEZNQCLSA-N 447.391 5.866 30 20 IKED N#Cc1ccccc1-c1ccc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)cc1 22415632 UVOVTJPPJDIYHT-UHFFFAOYSA-N 449.539 5.812 30 20 IKED N#Cc1ccccc1/C=C/C(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 23360118 JBCGGVTXINJGTG-ABSORMQESA-N 446.432 5.372 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccc(Br)s1 25905286 NAQSFQAUDMIVTQ-UHFFFAOYSA-N 429.364 5.463 30 20 IKED C=CCn1c(SC[C@H](O)Cc2ccccc2)nc2scc(-c3cccs3)c2c1=O 29136050 YDBGVVYRDMWLFI-MRXNPFEDSA-N 440.615 5.068 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cccnc2Sc2ccc(C)cc2C)cc1 29205336 IVPAXVOCUIQWJU-UHFFFAOYSA-N 432.549 5.409 30 20 IKED C=CCn1c(SCC(=O)N(Cc2ccccc2)c2ccccc2)nnc1-c1ccco1 29550829 NQIWPKXIUSBGKE-UHFFFAOYSA-N 430.533 5.050 30 20 IKED C=CCN(C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1nc2c(s1)CCCC2 33155451 MQOJAHGZFXOBPQ-UHFFFAOYSA-N 435.524 5.246 30 20 IKED C=CCn1c(SCc2csc(COc3ccc(F)cc3)n2)nnc1-c1ccco1 58474378 OYDGANXYPAAXQC-UHFFFAOYSA-N 428.514 5.191 30 20 IKED N#Cc1c(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)sc2c1CCCC2 60868715 UWTYYIRPKFVMFG-UHFFFAOYSA-N 446.557 5.433 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 72025259 GOPYXKXYQHMADM-UHFFFAOYSA-N 430.464 5.398 30 20 IKED O=C1/C(=C\c2cccc(F)c2)CC2(C/C1=C/c1cccc(F)c1)C(=O)Nc1ccccc12 206411412 CSFOVIUJLCWDPI-YZLQMOBTSA-N 427.450 5.685 30 20 IKED Cc1cc(C)n(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)n1 301768243 ZYNAHCNCSCKTFN-FQEVSTJZSA-N 432.936 5.756 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(C)c1Cn1cc(C#N)c(=O)c2cc(Cl)ccc21 432383523 YZRDGQBMGHUFST-UHFFFAOYSA-N 437.330 5.090 30 20 IKED N#Cc1cnc(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)c(Cl)c1 432452358 AEGGLYUTPSCPFS-GOSISDBHSA-N 444.691 5.028 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccc(F)cc2C#N)c(OC)c1 433968740 VANWBGZMNGNKFA-UHFFFAOYSA-N 443.478 5.434 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 436450664 JLANZSCTMJSJCD-UHFFFAOYSA-N 438.487 5.169 30 20 IKED CN1CCC[C@H](CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@H]1c1cccs1 438032212 WHOREQSYFDPLCX-DVECYGJZSA-N 446.576 5.617 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3c(Br)sc(C)c3C)n2)cc1 442514278 VABBHLPBLSOJQT-CQSZACIVSA-N 447.379 5.750 30 20 IKED C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc(S(C)(=O)=O)cc1 442773898 DMUULSQDLRMQJI-HNNXBMFYSA-N 426.925 5.581 30 20 IKED N#CCCn1cc(CNc2ccc(C(=O)NCCc3ccccc3)cc2)c(-c2ccccc2)n1 446878314 WPTPWTFYJPHNJB-UHFFFAOYSA-N 449.558 5.048 30 20 IKED Cc1ccc(NC(=O)N(C[C@H](C)C#N)C2CC2)cc1Oc1ncccc1Br 448090933 PBRAUSYFBWQDRJ-CYBMUJFWSA-N 429.318 5.101 30 20 IKED N#Cc1ccc(-c2nnc(N3Cc4ccccc4-c4ccccc4C3)n2C[C@@H]2CCCO2)cc1 461128179 PCQBAGZVUMARQD-DEOSSOPVSA-N 447.542 5.183 30 20 IKED CCO[C@H](C)c1noc(CNc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)n1 462190093 PIAJZXXCAYPIBZ-CYBMUJFWSA-N 432.402 5.462 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)cc1Cl 463397605 OJZKCMKARKMJHB-FQEVSTJZSA-N 430.870 5.777 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 465807976 IDUBGLATWPURPW-AZGAKELHSA-N 449.558 5.066 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)N2CC[C@@H](CSc3ccccc3)C2)CC1 465882918 YFBRRFJHFGOZDO-JSRJAPPDSA-N 435.593 5.072 30 20 IKED N#Cc1cccc(-c2nnc(COc3ccc(Oc4ccc(Br)cn4)cc3)o2)c1 466830931 IQRAXZHDWDDWPV-UHFFFAOYSA-N 449.264 5.137 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)c1 468630331 GZCXWPUEMHVBIC-VWNXMTODSA-N 435.911 5.071 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)ccc21 469063713 RJSIGLLFHUKGMF-AREMUKBSSA-N 440.503 5.379 30 20 IKED N#Cc1cccnc1Oc1ccccc1NCc1nnc(-c2ccc(Cl)cc2Cl)o1 471622182 ZFDAVKJVMCPMPV-UHFFFAOYSA-N 438.274 5.714 30 20 IKED CC(=O)Nc1cc(C(=O)N(Cc2ccc(F)cc2)CC(F)(F)F)cc(C(F)(F)F)c1 472359337 FWBKMCLDPMLRKB-UHFFFAOYSA-N 436.327 5.008 30 20 IKED Cc1nc(CNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)oc1-c1ccc(Cl)cc1 473675482 LKDXANNKKSLQQW-LEWJYISDSA-N 434.927 5.285 30 20 IKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)[C@H](C#N)c2nc(C(C)C)cs2)cc1 474444706 ICKTYSGQPYPAMW-IBGZPJMESA-N 449.601 5.796 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 475567344 WLZYXNAQYVYOBB-NDEPHWFRSA-N 431.624 6.059 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1cccnc1Oc1cccc(F)c1 478778528 MYOBZMJIURKBQB-UHFFFAOYSA-N 437.519 5.078 30 20 IKED Cc1nc(NC(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)sc1SCC#N 480049028 DLOOBMVYDRDVIU-UXHICEINSA-N 435.574 5.388 30 20 IKED CCCN(C(=O)Nc1cnn(-c2ncccc2C#N)c1)[C@H](C)c1ccc(Cl)c(Cl)c1 481371108 LAZBYQBCKGCYRL-CQSZACIVSA-N 443.338 5.451 30 20 IKED CO[C@@H](C)CN(C)C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 481436446 FJXWUXJKLOVXQR-UFBFGSQYSA-N 440.306 5.004 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)C[C@H](c3cccs3)n3cccc3)c2)cc1 483721437 LEILJWDPNGOOQP-XMMPIXPASA-N 441.556 5.813 30 20 IKED C[C@H](Sc1nc(C(F)(F)F)ccc1C#N)C(=O)NC(c1ccccc1)c1ccccc1 488802355 QSQPUOVMSZLAID-HNNXBMFYSA-N 441.478 5.358 30 20 IKED C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccncc3)n2C2CCCCC2)c1C 488901383 STPMNNJNTNNDGU-UHFFFAOYSA-N 435.597 5.425 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)cc1 493964428 CQOKEXDAOABJPY-QZTJIDSGSA-N 437.259 5.015 30 20 IKED C=CCN(CCc1ccco1)C(=O)N[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C 497653224 VHGMMBZNGSZOTG-KRWDZBQOSA-N 425.554 5.221 30 20 IKED CC(C)c1nc([C@@H]2CCCCCN2C(=O)Nc2ccccc2SC[C@@H](C)C#N)no1 501410401 VNUGJMXICGAJGO-WMZOPIPTSA-N 427.574 5.594 30 20 IKED COc1cc(C(=O)N[C@](C)(C#N)CC(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 503638707 WVGWLNFIFBNUED-NRFANRHFSA-N 431.876 5.107 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1ccc(F)cc1Cl 504058773 UEIRPPWDFJASHB-UHFFFAOYSA-N 437.902 5.902 30 20 IKED N#C[C@@H](NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)c1cccc(C(F)(F)F)c1 505988143 XFAMJPOUAUKVSS-UEWUEVEISA-N 430.392 5.535 30 20 IKED O=C([C@H]1CCCC(F)(F)C1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 506010232 VCRDHEGVYRDORN-XHDPSFHLSA-N 445.350 5.450 30 20 IKED O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)N[C@@H](c1c(F)cccc1F)C(F)(F)F 506920497 YXULNRDTHDHGTF-ZDUSSCGKSA-N 448.298 5.378 30 20 IKED C=CCn1c(Sc2nc([C@@H](C)OC)ns2)nc2scc(-c3ccccc3)c2c1=O 509692742 KTWAIOSCHNQDNG-GFCCVEGCSA-N 442.591 5.021 30 20 IKED C=CCc1cc(C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)cc(OC)c1OC 511386702 FSTVZABRSZWWEY-UHFFFAOYSA-N 428.598 5.206 30 20 IKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)NC(=O)CS4)c2C#N)C1 515321959 SEPYFBPBCYZCAM-CYBMUJFWSA-N 425.579 5.067 30 20 IKED CN(C)[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(F)cc1 516135935 AWCLBPQQENFRCR-QHCPKHFHSA-N 433.552 5.022 30 20 IKED N#Cc1c(NC(=O)c2cnc(-c3ccccc3F)s2)sc2c1-c1ccccc1CC2 516337770 BEAPZUHURBKKAU-UHFFFAOYSA-N 431.517 5.900 30 20 IKED Cc1c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cccc1OCC(F)(F)F 517658236 FXGXYQVZMGMBRB-UHFFFAOYSA-N 427.382 5.247 30 20 IKED COc1cc(C)c([C@@H](C)NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1OC 518351325 XJCSBPHVLPUTQT-GOSISDBHSA-N 430.504 5.362 30 20 IKED C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 518402510 PCEJGMNGBBSGHL-OAHLLOKOSA-N 425.410 5.125 30 20 IKED CCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cnn1Cc1ccccc1 518516519 IFJBOCAYIFYCJK-HXUWFJFHSA-N 442.544 5.116 30 20 IKED C[C@H](CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)Sc1ccc(Br)cc1 518835989 VPUQKKCMOIVLHV-CQSZACIVSA-N 432.387 5.553 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3c4ccccc4CC34CCOCC4)c2)cc1 518844324 ZIZVRGRFAOQVET-RUZDIDTESA-N 439.515 5.566 30 20 IKED C=CCN(CCc1ccccc1)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 519374832 POXKDWOYZXMEAF-UHFFFAOYSA-N 427.573 5.498 30 20 IKED C[C@H](NC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1)c1ccc(C#N)cc1 520114353 GQKHPZDBNABIQR-KRWDZBQOSA-N 445.394 5.234 30 20 IKED Cc1nc(-c2cccs2)sc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 520432771 QABFJFRLPQJJIE-NSHDSACASA-N 443.525 6.072 30 20 IKED Cc1c(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)[nH]c2c1C(=O)CC(C)(C)C2 520535474 JDRHDFXHDWMVES-QFIPXVFZSA-N 441.531 5.052 30 20 IKED CC(C)COc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 520826371 PUVCOCXBLHHTSS-SFHVURJKSA-N 434.565 5.411 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 520942846 QJQFJEYALDRCPG-CJNGLKHVSA-N 445.997 5.026 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CC=C(c4cccc5ccccc45)CC3)o2)cc1 524132846 SJXMXMQJXYWOTD-UHFFFAOYSA-N 434.495 5.813 30 20 IKED C=CCN(C(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1)c1nc2c(s1)CCCC2 525431270 YRBSKDWXLRMEDZ-UHFFFAOYSA-N 446.576 5.807 30 20 IKED Cc1cccc(NC2CCN(C(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)CC2)c1 525491988 GFIQWKOTQBSHGJ-UHFFFAOYSA-N 441.579 5.106 30 20 IKED CC(=O)c1ccc(-c2ccc(C(=O)N[C@H](C#N)c3ccc(OC(F)(F)F)cc3)o2)cc1 531115753 NOABYLLLZWHNSC-GOSISDBHSA-N 428.366 5.042 30 20 IKED COc1ccccc1N(C(C)=O)c1nc(CN(Cc2ccc(C#N)cc2)C(C)C)cs1 533752124 UQHTUSULAPVXQO-UHFFFAOYSA-N 434.565 5.119 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)c2ccc(C3(C#N)CC3)cc2)nc1-c1ccccc1 537471075 ILZTZHLBLKBULZ-QFIPXVFZSA-N 425.532 5.997 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)c1 540058511 GSFUAGLCMFDHIA-UHFFFAOYSA-N 428.488 5.084 30 20 IKED Cc1nc(NC(=O)c2ccc(Cl)c(C#N)c2)sc1-c1nc2ccccc2n1C(F)F 543613985 SATZBRHNTUTJNW-UHFFFAOYSA-N 443.866 5.641 30 20 IKED C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1nc(C(C)(C)C)cs1 544477520 PMYSJHFIWSETNT-CQSZACIVSA-N 430.643 5.322 30 20 IKED C[C@H]1C[C@H](c2cccnc2)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 544584006 OXUVFIYZUGZQFF-GAJHUEQPSA-N 446.938 5.801 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 548941988 RZZASQRQWVVNML-NRFANRHFSA-N 443.469 6.245 30 20 IKED N#Cc1cccc(-c2nnc(N3CCC(c4ccsc4)CC3)n2Cc2cccs2)c1 549579866 IQLJJIKDZORHBN-UHFFFAOYSA-N 431.590 5.372 30 20 IKED Cc1nn(C(C)C)c(C)c1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 550606808 ZFPBVHPDQBOWIK-UHFFFAOYSA-N 436.943 5.366 30 20 IKED N#Cc1ccc(N2CCC(Nc3ccc(NC(=O)c4cccc(Cl)c4)c(F)c3)CC2)cc1 552282751 MGNWULNMRPJUEZ-UHFFFAOYSA-N 448.929 5.684 30 20 IKED CC1(C(=O)Nc2cccc(OCCCC#N)c2)CCN(c2ccc(Cl)cc2C#N)CC1 553192356 SSTJCVZVVCZNRS-UHFFFAOYSA-N 436.943 5.139 30 20 IKED CN(Cc1nc2ccccc2s1)c1nnc(-c2cccc(C#N)c2)n1Cc1cccs1 555437275 XMWLBEGLFJDRIU-UHFFFAOYSA-N 442.573 5.173 30 20 IKED N#CCCN(C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)c1ccc(F)cc1 557442462 NIHZXLGPTPBUES-UHFFFAOYSA-N 434.858 5.485 30 20 IKED N#Cc1cc(NC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)nc2ccccc12 564190314 KATGQAYCCWPYOQ-UHFFFAOYSA-N 439.258 5.233 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2ccnc(Oc3ccccc3Br)c2)c1 572677626 RLYRJPJSIPOJFI-UHFFFAOYSA-N 428.673 5.414 30 20 IKED C=CCOc1cccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 588250866 IXVRVUILZRZUKX-QGZVFWFLSA-N 438.915 5.366 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@H]3CC[C@H](c4ccccc4)O3)c2)cc1 588992629 BFTJMGOIEBOFIG-CLJLJLNGSA-N 441.531 5.373 30 20 IKED C=C(C)COc1cccc(NC(=O)N[C@@H](C)c2ccc(OCc3ccncc3)c(OC)c2)c1 589738871 CCYYCIJMVLBNHI-IBGZPJMESA-N 447.535 5.507 30 20 IKED CC(C)CCc1ccccc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 604497800 AAANXGAUIHFAHG-UHFFFAOYSA-N 432.524 5.250 30 20 IKED COc1ccc2c(c1)c(C(=O)[C@H](C#N)c1nc3ccccc3o1)c(C)n2Cc1ccccc1 606754247 PXWPLEVQZXHQFH-NRFANRHFSA-N 435.483 5.638 30 20 IKED C=CCOc1cccc(CN[C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)c1 608067997 YZVOZUYCLSYPSQ-XMMPIXPASA-N 441.980 5.188 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)c(Br)c1 608110354 RVPVUEZSGXLPEB-MYJAWHEDSA-N 436.165 5.228 30 20 IKED Cc1csc(Sc2ccc(NC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)c(C)c2)n1 609099568 JEESBIDWIMXXHO-NRFANRHFSA-N 434.590 5.390 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3ccc(F)c(C#N)c3)c3cnn(C(C)C)c3n2)c(C)s1 609102518 SSJXIDJPJLWTFG-UHFFFAOYSA-N 433.512 5.621 30 20 IKED Cc1ccc2c(Cl)c(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)sc2c1 609149400 FBFIKEUHEDTLET-UHFFFAOYSA-N 433.920 6.483 30 20 IKED CCC(CC)CN(CCC#N)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 609189419 MBBZGNSYGLEMET-UHFFFAOYSA-N 431.536 5.406 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)cc2)nc1 609498863 QTRSAQUGUFGFGG-UHFFFAOYSA-N 449.470 5.642 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2nc(C(F)(F)F)cs2)cc1 610141314 SVCHZSDONKUVAA-UHFFFAOYSA-N 446.454 5.129 30 20 IKED C[C@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1C(F)(F)F 610220605 OAQIWBSWILQAIZ-LBPRGKRZSA-N 448.495 5.463 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCc2c(F)cc(Br)cc2C1 610730516 LZTULAHGXIUKBH-CYBMUJFWSA-N 448.361 5.430 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCc2sc(Br)cc2C1 610936066 LYWZXWOMGWTNKQ-LBPRGKRZSA-N 436.400 5.353 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(NC(=O)c4ccccc4)cc3)n2)cc1 613314398 NFMQKQXLJRAMJZ-QFIPXVFZSA-N 437.524 5.861 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2ccccc2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613344766 PYJUETDWGLFRLW-MRXNPFEDSA-N 439.327 5.793 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1OCC 613392071 DCMOCWJRVZRNSJ-QGZVFWFLSA-N 440.952 6.141 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)o1 613407318 QQAOOYQHNIICHU-INIZCTEOSA-N 433.876 5.483 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(Br)cc1C(F)(F)F 615526595 QRHVLUVTHIIJMK-UHFFFAOYSA-N 431.227 5.827 30 20 IKED N#Cc1ccc(CNC(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1Cl 619769474 YFJVSXVGTGGTSC-NRFANRHFSA-N 425.319 5.043 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1Sc1ncnc2c1oc1ccccc12 669672825 ZHQXCEPVMLPFOK-UHFFFAOYSA-N 449.923 5.537 30 20 IKED O=C(Nc1ccccc1OCC(F)F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 675570799 WLTRDWDFBNRVSL-NXEZZACHSA-N 434.327 5.362 30 20 IKED Cc1ncccc1/C=C1\CN(Cc2c(F)cccc2Cl)C/C(=C\c2cccnc2C)C1=O 728786925 AJQRRAURWSXQMB-ADYPVIEZSA-N 447.941 5.438 30 20 IKED CC(C)CCN(CCC#N)Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccco2)c1=S 728901634 PAHJWGXLYWWCGN-UHFFFAOYSA-N 444.004 5.595 30 20 IKED C[C@@H](OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1cc(F)ccc1F 729431210 IILMVWKYIWJLIO-MRVPVSSYSA-N 441.274 5.186 30 20 IKED Cc1ccc(F)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 730375059 CDFUXNOAAHSQTG-OAHLLOKOSA-N 436.414 5.121 30 20 IKED Cn1c([C@H](C#N)C(=O)[C@H](Sc2cc(F)ccc2F)c2ccccc2)nc2ccccc21 730395213 PVPIWBLQBITWQU-UZUQRXQVSA-N 433.483 5.561 30 20 IKED C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 732023689 VHIRVENRFMRKPI-KYTVRQNUSA-N 426.516 5.536 30 20 IKED C[C@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)Nc1ccc2ccccc2c1 732401550 HJNUTHXVTXIWGA-KRWDZBQOSA-N 437.455 5.083 30 20 IKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1sc2cc(C(C)C)ccc2c1Cl 732708559 PYGSSMMKSVDKJY-HNNXBMFYSA-N 426.925 5.648 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCC(c2ccccc2)c2ccccc2)c1 733799540 STTIGGXEBISGOW-DEOSSOPVSA-N 427.548 5.389 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2ccc(C)cc2)c2ccc(OC)cc2)c1 733807479 VFSUTQBAFRRAMZ-OZXSUGGESA-N 443.547 5.273 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cccc(COc2cccc(F)c2)c1 734079012 JDRCTRRACUICLC-JOCHJYFZSA-N 426.447 5.400 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC(c3ccccc3F)CC2)c1=S 736281215 AVAGKWZJWFRMAD-UHFFFAOYSA-N 438.572 5.252 30 20 IKED N#C[C@@H](C(=O)Cc1c[nH]c2ccc(Cl)cc12)c1nc(-c2c(F)cccc2F)cs1 740540014 XNTDTGDMQGYERZ-AWEZNQCLSA-N 427.863 5.642 30 20 IKED COc1cc(COC(=O)[C@@H]2SCCc3ccccc32)ccc1OCc1cccc(C#N)c1 745479573 PJLOCDZPTSCKDF-RUZDIDTESA-N 445.540 5.220 30 20 IKED C/C(=C/C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1cccc(C(F)(F)F)c1 745488267 UKAMNHDUIKROFI-SUIFULHWSA-N 448.466 5.101 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 751084869 PRZSKXLYWBEIKZ-LJQANCHMSA-N 436.265 5.265 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)c3cc(-c4cccnc4)nc4ccccc34)n2)c1 752375471 AKTIICAEBIUDLC-UHFFFAOYSA-N 433.496 5.544 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 752614742 GGYSMUDBFSMKKO-UZUQRXQVSA-N 446.617 5.240 30 20 IKED C=CC[C@H](NC(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1)c1ccncc1 756041978 YSPJNENNBRPCHM-LIRRHRJNSA-N 426.973 5.845 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc(OCc3ccccn3)c(F)c2)c1 758474730 XSAZNGGWNUXBGO-HXUWFJFHSA-N 446.526 5.164 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)c3oc4ccccc4c3COc3ccccc3)CCO2)c1 762312657 OADOQRQPNFLOSA-RUZDIDTESA-N 438.483 5.097 30 20 IKED O=C(CCC(=O)c1ccc(Cl)cc1)OCC(F)(F)C(F)(F)C(F)(F)C(F)F 764750991 GFTVTXJZHYGEGX-UHFFFAOYSA-N 426.687 5.017 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@@H](CSc3ccccc3)C2)c1=S 765037196 GAMHFIXTMUQERN-LJQANCHMSA-N 437.638 5.124 30 20 IKED C[C@H](N[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21)c1cccc(C#N)c1 769691491 OCLYLUFWJSENND-HBTLOVQCSA-N 433.552 5.112 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)cc1 770233120 WPBHKHWMLPFCCZ-ILBGXUMGSA-N 431.486 6.379 30 20 IKED COCCc1nc(C)c(C(C)=NNc2nc(C)nc3sc(-c4ccccc4)cc23)s1 770598160 XTLLKCSQAJETOG-UHFFFAOYSA-N 437.594 5.457 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cn(CCCC#N)c3ccccc23)cc1 774050630 GHCBHUWFNKTCQB-GCJKJVERSA-N 426.520 5.420 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(Oc2cccc(Br)c2)nc1 780164167 VLDIEZXSTREOQI-CQSZACIVSA-N 438.281 5.180 30 20 IKED CCN(C(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1)[C@H](C)c1ccc(C#N)cc1 780905977 AHMUQKHIUBJIHP-FQRUVTKNSA-N 428.532 5.170 30 20 IKED COc1cccc([C@@H](OC(=O)c2ccc(COc3ccccc3C#N)o2)c2ccncc2)c1 782455955 HPGMSWSCOUKWOF-VWLOTQADSA-N 440.455 5.080 30 20 IKED N#C[C@@H](C(=O)Cc1cc(Cl)cc2c1OCC2)c1nc(-c2c(F)cccc2F)cs1 784502042 PQFIGQDBOOARBK-AWEZNQCLSA-N 430.863 5.096 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cccc(CN(C)Cc2ccccc2)c1 784821419 RMNYOMZKZMJYEC-DEOSSOPVSA-N 435.527 5.314 30 20 IKED C[C@@H](OC(=O)c1cn(CCCC#N)c2ccccc12)c1nnc(-c2cccc(Cl)c2)o1 785019001 RNCCYZSUMDSSCY-OAHLLOKOSA-N 434.883 5.566 30 20 IKED C[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 795252404 OUWAMWGILHOYKO-KXBFYZLASA-N 427.932 5.095 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(Cc4ccccc4)c3Cl)n2)cc1 796891338 WUXCHANRUSRGNS-GOSISDBHSA-N 443.919 5.070 30 20 IKED O=C(C[C@@H]1CCC(F)(F)C1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 797990738 KIIHFDZHVLTNRI-NHYWBVRUSA-N 445.350 5.450 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CC(C)(C)CC(=O)c3ccccc3)n2)cc1 799604288 GWPKIFSWLILAAH-FQEVSTJZSA-N 432.545 5.684 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 801628456 HAIIZPBMFRNVER-VQIMIIECSA-N 446.617 5.095 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cccc(OCc4cccnc4)c3)n2)cc1 810531126 GJLUOGJGIDTVDF-HSZRJFAPSA-N 439.540 5.512 30 20 IKED CN(CCC#N)c1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 814287531 HRMJQPATQFXYPP-LDADJPATSA-N 447.507 5.461 30 20 IKED C=CCC(F)(F)C(=O)OCc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1 815310544 BDUJSZGBDNROIP-UHFFFAOYSA-N 435.279 5.389 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 915085056 DXSALIRSKBXQIE-SANMLTNESA-N 449.485 5.986 30 20 IKED Cc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1NC(=O)c1ccccc1 915085218 IUUDDQGDEMUFBL-AREMUKBSSA-N 445.522 6.155 30 20 IKED N#C[C@H](C(=O)c1ccc(C2SCCCS2)cc1)c1nc2ccccc2n1C(F)F 915106866 GZKGFPWKBQYDJO-OAHLLOKOSA-N 429.517 5.790 30 20 IKED COc1cccc(/C=C/C(=O)c2ccc(Br)cc2Br)c1OC 916140408 SALMMUZIHPVJSD-RMKNXTFCSA-N 426.104 5.125 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2ccccc2Cl)cs1 916262169 ADWJZXYJHMWQLM-UHFFFAOYSA-N 438.862 5.946 30 20 IKED O=c1c2c3c(sc2ncn1N=Cc1cn(Cc2ccccc2)c2ccccc12)CCCC3 916288562 KZMAVBDHPOUIQA-UHFFFAOYSA-N 438.556 5.222 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)CSc1nc(C)nc2sc(C)c(C)c12 916559304 FENIAFCGEHLVFI-UHFFFAOYSA-N 447.969 5.238 30 20 IKED CCCCCCNC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C 916875617 FOKNDUHRDMMFNF-NRFANRHFSA-N 445.567 5.007 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cccc(CSc3ccc(C)cc3C)c2)c1 916897032 SIIWRKRGBBEPQW-HSZRJFAPSA-N 428.557 5.865 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCn1c2ccccc2c2ccccc21 916905411 CAZDPTNBLDLJBA-QHCPKHFHSA-N 437.543 5.657 30 20 IKED Cc1ccc(OCCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(C)c1 916907996 KMHCLQUYTWIQGH-NRFANRHFSA-N 428.488 5.212 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c4ccccc4n(C)c3s2)cc1Cl 916939982 JUTSDZPCKKDDJG-HNNXBMFYSA-N 437.908 5.016 30 20 IKED Cc1c(C#N)c(SCC(=O)N2c3ccccc3Sc3ccccc32)nc2c1CCC2 918019927 NDCDGCFMWIUGKK-UHFFFAOYSA-N 429.570 5.672 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 920105533 HOFQKBBVLLECGT-VWNXMTODSA-N 448.478 5.136 30 20 IKED N#C[C@H](C(=O)CSCc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1Cl 920110162 YWZHLXPQZVZAJH-CYBMUJFWSA-N 427.740 5.228 30 20 IKED C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 920266921 BJGKKTYLEKHONQ-FZMZJTMJSA-N 434.373 5.869 30 20 IKED N#C[C@@H](C(=O)CCc1ccc(OC(F)F)cc1)c1nc(-c2c(F)cccc2F)cs1 920806403 KRRKBWXTPATGIQ-AWEZNQCLSA-N 434.414 5.499 30 20 IKED COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1ccccc1-c1ccccc1C#N 921182566 CUYNHDFIRHSZNC-OAHLLOKOSA-N 434.879 5.071 30 20 IKED C[C@@H](C#N)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCC2(CCCCC2)O1 1596831261 LBUBEKUIWRRVNW-GHTZIAJQSA-N 442.007 5.000 30 20 IKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3oc4ccccc4c3C)cc2)CCC1 1788968858 JCIYPBKYDBCGNU-QFIPXVFZSA-N 446.547 5.062 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Cc3ccncc3)CCC2)cc1 1789458238 RGKSETMQEGHCRA-RDPSFJRHSA-N 431.580 5.163 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4[nH]ncc34)CCC2)cc1 1789625853 AUSWYAHOIWXZKE-UHFFFAOYSA-N 430.552 5.303 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCCC(F)(F)F)CCC3)cc2)cc1 1790705068 GBRKGNJJEUOKCN-UHFFFAOYSA-N 443.469 5.233 30 20 IKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Cl)c(C)c1Cl)C2 1793053749 NZYXVDYMPSLDKC-BCDXTJNWSA-N 435.395 5.322 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2oc3ccccc3c2C)n[nH]1 1818566521 BNFOXBYDDAYHJL-NRFANRHFSA-N 446.551 5.539 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3cnccc23)[nH]n1 1819307375 SQQXRNFKKLZDAL-XXBNENTESA-N 443.551 5.032 30 20 IKED C=CCOCCCC(=O)N[C@H]1CCc2nc(NC(=O)CCCCCC(C)(C)C)sc2C1 1825498856 RMCGXHIHPZRODK-SFHVURJKSA-N 449.661 5.035 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ccccc23)CC1 1831446235 WUDKNQYPRJVJPY-QHCPKHFHSA-N 440.534 5.285 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)Nc1ccccc1Cl 10826678 NVTKLLLTSBCQLT-UHFFFAOYSA-O 438.016 6.166 30 20 IKED Cc1nc(C)c(C#N)c(SCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)n1 25959881 QMNKLYYBVDTZCC-UHFFFAOYSA-N 436.151 5.310 30 20 IKED N#Cc1cc(NC(=O)c2cc(-c3ccc(Cl)s3)on2)ccc1OCC(F)(F)F 60462048 BCBJWMAQWOUCFL-UHFFFAOYSA-N 427.791 5.122 30 20 IKED N#Cc1cccc(COc2ccc(N[C@H](C(=O)N3CCCCC3)c3ccccc3)cc2)c1 97543281 YLXHSTPSXMTLSO-SANMLTNESA-N 425.532 5.303 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C[C@@H](c2ccccc2)O1 409772162 MKSHHLFNQCMPIG-DPQOWFAMSA-N 445.950 5.989 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1cnn(-c2ccccc2)c1C(F)(F)F 410397177 JTLHAYRMCSVGTP-UHFFFAOYSA-N 447.310 5.224 30 20 IKED CCN1CC[C@H](NC(=O)N[C@H](CCCC#N)c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 431470182 KOELFWZXPVLWRG-XPWALMASSA-N 442.966 5.349 30 20 IKED C=CCc1cc(CNC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)cc(OC)c1OC 433686007 YKSCOUNTVVBSEO-WDXRGRCHSA-N 437.502 5.197 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1 433741179 VDAYQXZALUCXTO-TZIWHRDSSA-N 434.446 5.456 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1F)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 435600095 YDIAZFZIDSFKOE-VIFPVBQESA-N 441.372 5.731 30 20 IKED CC(C)n1ncc2c(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc(-c3ccccc3)nc21 436352359 NCZHMFUTXPGSNY-ZEQKJWHPSA-N 449.558 5.591 30 20 IKED CC[C@H](C)Oc1ccc(NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 437231309 HIWHDYCVWKCYOZ-KRWDZBQOSA-N 429.476 5.105 30 20 IKED N#C[C@H](C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nc2cc(Cl)ccc2s1 437378304 ZXUQFZJBUOULAP-GFCCVEGCSA-N 425.775 5.367 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 440323247 GUGCJMOUTMODEI-UHFFFAOYSA-N 443.438 5.171 30 20 IKED C=CCn1c(SCc2nc(C)c(-c3ccc(Cl)cc3)o2)nnc1-c1ccoc1C 440774231 LUSLEIMARCUONE-UHFFFAOYSA-N 426.929 5.942 30 20 IKED CN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCSc2ccc(Br)cc21 441321556 HCLHPDYYXGHYOB-KRWDZBQOSA-N 441.354 5.040 30 20 IKED CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C(C)C)cc1 441596180 HFSBLXQEEWNVNS-HXUWFJFHSA-N 431.458 5.152 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)c2ccccc21 444141874 OYSMIEYHDXMBAH-UHFFFAOYSA-N 434.927 5.087 30 20 IKED C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 444413534 UFANNCZHTHKKQP-AOMKIAJQSA-N 433.895 5.001 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccnc(O)c3Br)cc2Cl)cc1 446023872 KJMYAJJBGURGBR-UHFFFAOYSA-N 444.672 5.119 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 447719009 ZSRPDDQLKVLCDM-UHFFFAOYSA-N 446.453 5.364 30 20 IKED C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CC=C(c2cccc(OC)c2)CC1 460951546 WVPJVKAXAPTLFQ-GOTSBHOMSA-N 436.600 5.075 30 20 IKED C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(Br)cc1OCCCO 462967920 RRBKQAPMWDCBBL-KSFYIVLOSA-N 443.385 5.200 30 20 IKED C[C@@H](C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c1cccc(Br)c1 463583024 OMULOHZPOQUSBE-CYBMUJFWSA-N 425.248 5.015 30 20 IKED C=CCOc1cc(OC)ccc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 464506098 HLQOLUJJOALUHP-HNNXBMFYSA-N 426.444 5.152 30 20 IKED CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 467002550 YXXHGJVPQVLLSG-UHFFFAOYSA-N 445.485 5.047 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)c1 469020611 PWQDTYHPEUQRRI-UHFFFAOYSA-N 438.821 5.404 30 20 IKED Cn1ccc2cccc(NC(=O)C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c21 472524172 WBOWDCLCZVZQPE-FQEVSTJZSA-N 442.906 5.064 30 20 IKED COc1ccc(-c2nc3c(s2)[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)CCC3)cc1 475798997 JHWRMBZYJIKLGU-HXUWFJFHSA-N 431.561 5.427 30 20 IKED N#CCCCOc1cccc(NCC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c1 476351700 BMKHULNKHIPLNY-NRFANRHFSA-N 432.351 5.452 30 20 IKED CC(C)CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H]1CCCc2cccnc21 479361623 OBDFGOJYWJGGTH-QHCPKHFHSA-N 426.520 5.316 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCc2c(Br)cccc2[C@H]1C 480592717 OFOHDRANGKEEHZ-LSDHHAIUSA-N 444.398 5.995 30 20 IKED CCc1ccc([C@@H]2CCCN(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)C2)cc1 482264505 FINIXJALGZASJW-HSZRJFAPSA-N 444.579 5.243 30 20 IKED Cc1ccc2nc(COc3ccccc3C(=O)[C@H](C#N)c3nccc4ccccc34)cn2c1 483188356 AFUAUKNGSOLULB-HSZRJFAPSA-N 432.483 5.260 30 20 IKED CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 483402588 AYUDDQPKSZHNJF-UHFFFAOYSA-N 438.487 5.496 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 483478148 CDTXAJYODOGMPR-RXVVDRJESA-N 445.485 5.822 30 20 IKED N#C[C@@H](C(=O)c1cc2sc(N3CCCC3)nc2s1)c1nc2cc(Cl)ccc2s1 483488573 CYWIOELBUKGEKR-NSHDSACASA-N 444.994 5.711 30 20 IKED C[C@H](Sc1nnc(-c2cc3ccccc3o2)o1)C(=O)N(CCC#N)c1ccc(F)cc1 484752315 MWZQPUNYTSUZOK-AWEZNQCLSA-N 436.468 5.049 30 20 IKED C=CCSc1ccccc1C(=O)Nc1cccc(NC(=O)COc2ccccc2OC)c1 485468610 SHBXRTGCXBUFQK-UHFFFAOYSA-N 448.544 5.243 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(F)ccc2OCC2CC2)cc1C 486853365 NOJCSPOUPFUMSI-UHFFFAOYSA-N 432.499 5.261 30 20 IKED Cc1nn(CC(C)C)c(C)c1CCC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 487992123 IXDLYJCLCQFYDP-UHFFFAOYSA-N 446.570 5.328 30 20 IKED CC(C)c1ccc([C@H]2CCCCN2C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc1 489480180 HBTZIPAZBWPYRK-XMMPIXPASA-N 438.593 5.255 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)c3c(C)noc3n2)cc1 496189172 PDFZMCOGWCYNCW-QGZVFWFLSA-N 436.393 5.411 30 20 IKED N#C[C@H](NC(=O)CCCCc1nc2ccccc2s1)c1cccc(Br)c1 496303776 MJDGSUQFUVRRMG-KRWDZBQOSA-N 428.355 5.153 30 20 IKED CCc1c(Br)cc(C(=O)[C@@H](C#N)c2nc(C)cs2)cc1Br 501323059 KXLLPKOMLOHNTC-LLVKDONJSA-N 428.149 5.029 30 20 IKED CN(C)C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 503580288 YLPFNQJAUNZJNE-MRXNPFEDSA-N 444.343 5.309 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCCc3nc4ccccc4s3)c2)cc1 503856534 NPANQMOPOAXPEF-UHFFFAOYSA-N 442.544 5.306 30 20 IKED C=CCC[C@H](NC(=O)N1CCC(n2cc(Cl)cn2)CC1)c1ccc(C(F)(F)F)cc1 504396641 ORFHJDCHVIYZKE-IBGZPJMESA-N 440.897 5.609 30 20 IKED Cc1nc(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)sc1SCC#N 504832310 SZFZFDAALAFMPC-UHFFFAOYSA-N 443.554 5.167 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)Cc1ccc(OCc2ccccn2)cc1 507563979 JVIULGYGWBBRQI-UHFFFAOYSA-N 425.513 5.442 30 20 IKED CCOc1ccccc1Oc1ccc(CNC2CCC(C#N)(c3ccccc3)CC2)cn1 507629906 LWQALVCOXFJNJS-UHFFFAOYSA-N 427.548 5.766 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2ccc(SC)cc2)cc1 507810149 HPUWSSZEFUJGIS-MRXNPFEDSA-N 433.533 5.520 30 20 IKED CN(C)c1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c2ccccc2n1 509755930 OXIBJICOEDHOLE-UHFFFAOYSA-N 436.515 5.198 30 20 IKED COc1ccc2ccccc2c1-c1cc(CNc2ccn(-c3cccc(F)c3C#N)n2)on1 510103307 GPZPQCBCECPGOY-UHFFFAOYSA-N 439.450 5.312 30 20 IKED Cc1ccc(-n2ccnc2)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 510866963 NKPNXMIHLKRCBK-UHFFFAOYSA-N 426.451 5.023 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)s2)o1 515674137 GLKXDACRFUCPFM-UHFFFAOYSA-N 442.500 5.396 30 20 IKED O=C(NCc1ccncc1)Nc1cccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)c1 517848190 JPLMHZGSQFPHPK-UHFFFAOYSA-N 446.510 5.055 30 20 IKED C=CCN(CCc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 520985453 ZENPBQUCVYXQRO-UHFFFAOYSA-N 434.927 5.250 30 20 IKED CCN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H](C)c1cccc(C(F)(F)F)c1 522702334 LKSIHRVFCINQKJ-LBPRGKRZSA-N 427.373 5.793 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccccc2OCC2CC2)cc1 524802768 KEDBZMCKEPPNFW-UHFFFAOYSA-N 443.522 5.398 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(F)cc3-c3ccc(Cl)cc3)CC2)o1 530287061 USODZCJWPIWNDB-UHFFFAOYSA-N 438.890 5.169 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cnn(CC(C)C)c2C(F)F)cc1C 535659340 RVDHYVBJSZHHFT-UHFFFAOYSA-N 440.498 5.123 30 20 IKED C[C@@H](Oc1ccccc1C#N)c1nc(-c2cccc(NC(=O)c3ccccc3F)c2)no1 544948597 JAZRETTXHRKXLH-OAHLLOKOSA-N 428.423 5.140 30 20 IKED CC(C)(C)c1cc(CCC(=O)N2CCC(C#N)(c3ccccn3)CC2)cc(C(C)(C)C)c1O 548812226 LTIJPZGFYBJDEL-UHFFFAOYSA-N 447.623 5.399 30 20 IKED N#CCC[C@H](C#N)CNC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 548950085 JZONZQUWDLCSTH-QRWLVFNGSA-N 433.408 5.187 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCc1ccc(C2CCCCC2)cc1 551491205 SMPCQERMWHHQLX-GOSISDBHSA-N 435.593 5.241 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 554441619 ZQJIELCMZMJUJA-INIZCTEOSA-N 436.556 5.970 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 563327737 CLHIJZNNBRFNAF-BJKOFHAPSA-N 431.536 5.011 30 20 IKED Cc1noc([C@@H]2CCCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1 568311097 RIJWTCYOYGVBOW-FPOVZHCZSA-N 435.915 5.446 30 20 IKED C[C@@H](Sc1ccccc1)c1ccc(NC(=O)N2CCN(c3cnccc3C#N)CC2)cc1 569306912 VDBXOXOHIVERRU-LJQANCHMSA-N 443.576 5.161 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F 584491906 GTWXRPDMZCMPKQ-UHFFFAOYSA-N 445.369 5.079 30 20 IKED N#Cc1ccc(C[C@@H](C#N)c2nc(Cc3cccc(OCCCc4ccccc4)c3)no2)cc1 589128203 NXNUXGKMVZQESW-VWLOTQADSA-N 448.526 5.394 30 20 IKED COc1ccc(Sc2nsc(NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)n2)cc1 589251105 IOGPLXYJXYFRGL-UHFFFAOYSA-N 439.566 5.012 30 20 IKED C=CCc1cc(C(=O)Nc2nc(-c3ccccc3OC(F)F)cs2)cc(OC)c1OC 589919354 JHEOOFZLKGGISU-UHFFFAOYSA-N 446.475 5.410 30 20 IKED CN(Cc1ccccc1OC(F)(F)F)C(=O)Nc1cccc(C#Cc2ccccn2)c1 601186421 PGJYALMZUAJLPI-UHFFFAOYSA-N 425.410 5.044 30 20 IKED N#C[C@@H](C(=O)c1ccc2nc(C(F)F)[nH]c2c1)c1nc2cc(C(F)(F)F)ccc2s1 601432849 IDAFNWHXEWFDHL-JTQLQIEISA-N 436.365 5.619 30 20 IKED CC(C)c1cc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)nn1C(C)(C)C 603750419 LLZCSKWRCIWRLX-UHFFFAOYSA-N 440.598 5.029 30 20 IKED CC(C)C[C@H](C#N)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 608822923 NTGMFWNNGPQUII-XUDLPTGHSA-N 434.521 5.190 30 20 IKED CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)n1 609020867 UFKFHVRTTRDMTL-UHFFFAOYSA-N 438.487 5.950 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc4ccccc4nc3O)cc2Cl)c1 609072720 CQIKQWWSEXRJKN-UHFFFAOYSA-N 429.863 5.297 30 20 IKED CN(C(=O)c1oc2ccccc2c1CSCc1ccccc1)c1ccc(C#N)cc1F 609216098 GWYOKMGHYXLUPN-UHFFFAOYSA-N 430.504 6.154 30 20 IKED N#CCN1CCC(NC(=O)Nc2ccc(Oc3cc(Cl)ccc3Cl)c(F)c2)CC1 609339172 JYNZZLMARMVZQE-UHFFFAOYSA-N 437.302 5.034 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 609377587 YJVKIURMSLSRSI-ZDUSSCGKSA-N 449.523 6.138 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc2ccc(C(F)(F)F)nc2c1 609385863 PKMTYGBZCWWISZ-AWEZNQCLSA-N 445.466 5.665 30 20 IKED C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccc(COc2ccccc2C#N)o1 609510494 VKKBCAKALOOROA-OAHLLOKOSA-N 428.410 5.110 30 20 IKED COc1ccc(OCc2nc(CNC3CCC(Oc4ccccc4C#N)CC3)cs2)cc1 609600480 FYEIHHPRDOMMIG-UHFFFAOYSA-N 449.576 5.082 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccccc1OC(F)F 609816016 JEIFOSTYEVRXON-UHFFFAOYSA-N 430.398 5.494 30 20 IKED Cc1cc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)ccc1C(=O)N(C)C 610122807 NOPVXXULDZSPDE-UHFFFAOYSA-N 433.895 5.267 30 20 IKED COc1ccc(CN2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)cc1C#N 610992689 BVTBZHHQPZWELT-VWLOTQADSA-N 446.595 5.256 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(-c4ccccc4C#N)cc3)cc2)nn1 611357973 VHFGCWHAKAALJJ-UHFFFAOYSA-N 435.487 5.438 30 20 IKED COCc1cncc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c1 613184888 PWWAWLZXABNNED-UHFFFAOYSA-N 427.382 5.163 30 20 IKED Cc1ccccc1-c1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)c2cnn(C(C)C)c2n1 613290738 KUJOFNYUJIPKBS-JOCHJYFZSA-N 445.526 6.026 30 20 IKED O=C(c1sc(-c2ccccc2)nc1C(F)F)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 677758955 WUBGSSSSVOXBCD-UWVGGRQHSA-N 444.347 5.561 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 682782974 YCYQVTOTJFOAEN-RCZVLFRGSA-N 434.580 5.103 30 20 IKED CCOCCCn1c(NN=Cc2sc3ccccc3c2Cl)nc2ccccc2c1=O 725843261 DTZQJZJHBVVZJL-UHFFFAOYSA-N 440.956 5.137 30 20 IKED Cc1cc(-n2c(C)cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)c2C)no1 728028285 CQIQAPLATAXDFY-UHFFFAOYSA-N 440.503 5.402 30 20 IKED C[C@@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1csc2ccccc12 729958832 DSPGDPDWVJHTJD-OAHLLOKOSA-N 446.532 5.115 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CON=C1c2ccccc2-c2ccccc21 731031338 ZZGWEGAQOSHMOS-QGZVFWFLSA-N 427.529 5.469 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 731114726 WNJJGIVDPZJHLM-QGZVFWFLSA-N 446.617 5.049 30 20 IKED C=CCn1c(SCc2ccc(OCC#N)cc2)nnc1-c1ccc(Br)cc1 731156131 IPWIOKCZIQMSQE-UHFFFAOYSA-N 441.354 5.088 30 20 IKED COc1ccc(/C=C2/CCOc3c(Br)cccc3C2=O)cc1OCCCC#N 733748587 CVCNDZXGTNGKCH-SSZFMOIBSA-N 442.309 5.189 30 20 IKED C=CC[C@@H](NC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1ccncc1 734667706 MPTLEGCXSLFGGU-AREMUKBSSA-N 437.547 5.110 30 20 IKED C=CC[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1)c1ccncc1 734679844 PROMACZIBNEIBL-JYFHCDHNSA-N 443.547 5.073 30 20 IKED N#C[C@@H](C(=O)C[C@@H]1CCOc2ccccc21)C(=O)Nc1ccccc1Oc1ccccc1 735593367 KJTZXJAJDXJXHJ-RXVVDRJESA-N 426.472 5.083 30 20 IKED CC(C)(CCC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2)NC(=O)OC(C)(C)C 737513072 GZUQTCPYZSNCBQ-UHFFFAOYSA-N 439.581 5.407 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 739154053 IABYLIIIDVZWHU-DNVCBOLYSA-N 426.944 5.622 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccoc2)n1)C(=O)Nc1ccccc1Oc1ccccc1 739156500 YJDIADRMAOAQKF-LJQANCHMSA-N 443.484 5.085 30 20 IKED CN(CCC#N)c1ccc(CN[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1 742383178 UVRDECCBQGLYFP-SANMLTNESA-N 447.966 5.340 30 20 IKED N#Cc1ccc(-c2ccc(OC(=O)[C@@H]3CCCN(c4ncnc5sccc45)C3)cc2)cc1 742499255 VGKALNWVKAKBQQ-HXUWFJFHSA-N 440.528 5.052 30 20 IKED CC(C)(C)c1ncc(/C=C\C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)s1 742556504 XMGICQYUSCHCHU-QXMHVHEDSA-N 433.552 5.694 30 20 IKED N#CCOc1cccc(NC(=O)N[C@H](c2cc(F)ccc2F)c2ccccc2Cl)c1 743102351 FRKAPQJDIRVYRJ-NRFANRHFSA-N 427.838 5.432 30 20 IKED C[C@@H]1CN(c2ccc(NC(=O)N[C@H](C)c3cccc(C#N)c3)cc2C(F)(F)F)C[C@@H](C)O1 743143326 KVQKCYKDJCRLRM-BZUAXINKSA-N 446.473 5.073 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)c1 743215023 QQBZGBWHVAOEEV-OAQYLSRUSA-N 430.508 5.493 30 20 IKED C[C@H](Nc1ccc(OCc2ccccn2)c(Cl)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 744264322 JPOUDJLJKKTHPW-AWEZNQCLSA-N 441.318 5.278 30 20 IKED Cc1ccc(-c2ncc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)s2)c(C)c1 747111623 HRXWEQSKYNGFLY-OAHLLOKOSA-N 444.343 5.695 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 747638195 WSNUMGFODKJMCQ-NRFANRHFSA-N 440.484 5.626 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 748003556 CIOWJPNWLURUHY-LIRRHRJNSA-N 448.504 5.193 30 20 IKED O=C(/C=C\c1c(Cl)nc(Cl)n1-c1ccccc1)c1ccc(N2CCOC2=O)cc1 748584984 YKMUFGWOUVZGLT-KHPPLWFESA-N 428.275 5.032 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)cc1 749027132 XMCMBMFFNRUCAP-SFHVURJKSA-N 431.904 5.324 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1=S 751933010 RXZAODANMQILDX-VXKWHMMOSA-N 445.592 5.005 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(-c3ccccn3)ccc2Cl)ccc1OC 754845873 ASZSOZBEHNYCTA-GOSISDBHSA-N 435.911 5.022 30 20 IKED CC(=O)N(c1nc(/C=C2\Oc3cc(C)c(C)cc3C2=O)cs1)c1ccc(F)cc1F 759118276 UOULMRZCSYIIKU-UKWGHVSLSA-N 426.444 5.339 30 20 IKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC(c3ncc(C)s3)CC2)c1=S 762169593 LOYHBCONJAQWEQ-UHFFFAOYSA-N 429.590 5.008 30 20 IKED CCOc1cc(/C=C\C(=O)c2cccc(F)c2F)ccc1OCC(=O)Nc1ccccc1 776267902 IUSYPRGKTFTWRG-QBFSEMIESA-N 437.442 5.277 30 20 IKED CCCCCn1cc(C(=O)[C@@H](C#N)C(=O)Nc2c(CC)cccc2CC)c2ccccc21 777301508 FSFOAECJDKACDQ-JOCHJYFZSA-N 429.564 5.917 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)ccc1OC 779102142 QTSAVGIRCZVCMR-NVQXNPDNSA-N 434.511 5.403 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl 779461006 CDTJHHVESTYUAI-ZDUSSCGKSA-N 430.295 5.173 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2 780161065 TZGWXNCIKPPYFS-XMGGNUPJSA-N 435.483 5.858 30 20 IKED Cc1cccc(C)c1OCc1nn(CN2CCC(CC#N)CC2)c(=S)n1-c1ccccc1 781572095 LKJCVJZWOVEHEN-UHFFFAOYSA-N 447.608 5.182 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cccc(OCC(F)(F)F)c3)n2)cc1 784496998 ARUHZJCSQRCZKI-SFHVURJKSA-N 446.450 5.179 30 20 IKED CC[C@@H](CN(CC)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 785184501 ROOXAFPEFVNRTB-LVXARBLLSA-N 439.559 5.323 30 20 IKED C[C@H](Oc1ccc(C(=O)OCC(=O)Nc2ccccc2SCC#N)cc1)c1ccccc1 788225805 KQIHSZVXLOMUDR-SFHVURJKSA-N 446.528 5.238 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1ccccc1S[C@H](C)CC#N 793469499 VOXMDGLDVZSZCN-MRXNPFEDSA-N 425.554 5.989 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C/c1ncc(CN(C)C)s1 794707065 IVNLVERPZLWTLG-CMDGGOBGSA-N 448.411 5.295 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1 797668673 XPPVBIHJGYPJBS-LBPRGKRZSA-N 432.427 5.764 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)cc1 800649865 SNSFHEWRFIDBDQ-ZONZVBGPSA-N 447.538 5.127 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC([C@H](O)c2ccccc2C)CC1 804514772 NPBKXRSJUPIMNV-QFIPXVFZSA-N 433.470 5.164 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2c(C(C)=O)oc3cc(C)ccc23)cc1 805856155 SCEFZRBEVHZRNR-QFIPXVFZSA-N 430.504 5.177 30 20 IKED CN(C(=O)c1cc(=O)c2ccc(F)cc2o1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 808720185 PIXMOBRBMKQWPG-KRWDZBQOSA-N 447.306 5.327 30 20 IKED N#C[C@H](C(=O)CCc1nc2ccccc2o1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915103557 XWMKOWDMCFBNOT-GVMKUJSRSA-N 431.561 5.561 30 20 IKED COc1cccc2cc(/C=C\C(=O)c3ccc(OCC(=O)Nc4ccccc4)cc3)oc12 916128149 SGODMCBVXLKWOK-PFONDFGASA-N 427.456 5.355 30 20 IKED CCCCOc1cc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)ccc1OC 916310005 QUHFTVWBRBGXHR-UHFFFAOYSA-N 447.560 5.503 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc(Cc2ccccc2)n1 916886581 HPODECPLSHFPNS-INIZCTEOSA-N 443.500 5.010 30 20 IKED CCOc1ccc(SCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916906590 FDRGNUTXSCVGRW-OAQYLSRUSA-N 446.528 5.317 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(-c2ccccc2Cl)o1 916927033 CWXPAGFCAOICDU-ZDUSSCGKSA-N 433.678 5.868 30 20 IKED CC(C)(C)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 916927037 CYHWCIPKSLWKNM-ZDUSSCGKSA-N 434.279 5.160 30 20 IKED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3sc4ccccc4c3s2)cc1 916942023 FVBQUOLPOQDGQP-MRXNPFEDSA-N 448.525 5.254 30 20 IKED N#C[C@@H](C(=O)CCn1cc(Cl)cn1)c1nc(-c2ccc(Cl)cc2Cl)cs1 917430959 JRTCLSHPWKUKQV-ZDUSSCGKSA-N 425.728 5.233 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@H]3CCCc4cc(OC)ccc43)n2)cc1 920144405 PSVLWGGWLBIUFS-GCJKJVERSA-N 432.545 5.514 30 20 IKED COc1ccc(-c2nn(Cc3ccccc3)cc2C=NN[C@H](C)c2ccccc2)cc1OC 920383238 USPWLBHXWDTCFG-HXUWFJFHSA-N 440.547 5.300 30 20 IKED CCOc1cc(/C=C2\Cc3c(F)cccc3C2=O)ccc1OCc1ccc(C(=O)OC)o1 921264706 XSFCYGAFFBZRKN-LFIBNONCSA-N 436.435 5.005 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CS[C@@H]3CCCCO3)CCC2)cc1 1785842701 ILSTXSKKTKNRBU-JOCHJYFZSA-N 444.641 5.373 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3c(C)nc4ccccn34)CCC2)cc1 1786103544 MMNKYKHXDKTXBV-UHFFFAOYSA-N 442.563 5.159 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C)nc3)cc2)CCC1 1786836815 JVZJXACEQVFBGC-UHFFFAOYSA-N 431.580 5.225 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(F)cccc3Cl)CCC2)cc1 1790566373 UDIAPBOBAHUMCJ-OAHLLOKOSA-N 445.922 5.028 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](CC)c2ccccc2)[C@@H]1c1cccnc1 1810495758 WEXMMYCOZCOOSD-ISJGIBHGSA-N 447.623 5.274 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2oc3ccccc3c2C)[nH]n1 1819554936 UHMXFEUMZOURMC-HXUWFJFHSA-N 448.567 5.763 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](CC)c2ccccc2)CC1 1826316800 NEGBYYOZUASKQZ-YADHBBJMSA-N 432.555 5.011 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)c(F)c2F)CC1 1828830441 VLWQIIANYVFWRM-RBBKRZOGSA-N 444.566 5.275 30 20 IKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccsc2)CC1)c1ccccc1 1829030813 TWRCYTRELJXEIX-RPBOFIJWSA-N 448.632 5.179 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cnc2Cl)CC1 1829066027 LUHDZMCXVFDCIO-OAQYLSRUSA-N 446.035 5.269 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2cccc(CC)c2)cc1 10174862 WWCNOEGRMXMGMG-UHFFFAOYSA-O 437.654 6.218 30 20 IKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccccc2)cc1 10179302 RBQJUAZSRSHZMZ-UHFFFAOYSA-O 444.407 6.455 30 20 IKED C[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 16775130 DKXHNMKGTLKQSJ-CQSZACIVSA-N 449.923 5.172 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nc(C)nc2sc(C)c(C)c12 22168233 YOODUEIHOSMURC-OAHLLOKOSA-N 440.594 5.053 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccc3c(c2)CCCC3)s1 22694011 DLLBGZXDNFWDGQ-UHFFFAOYSA-O 435.638 5.891 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)nnc1-c1ccc(F)cc1 24014757 QDPGTFXIYMUNPB-HUUCEWRRSA-N 444.963 5.282 30 20 IKED C[C@H](NC(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1)c1ccc(C#N)cc1 26128465 IPWYDYNKPGJLPG-HFJWLAOPSA-N 425.557 5.546 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(Cc2cccs2)n1C1CC1 26757097 KUZBYCCTJQNBGW-OAHLLOKOSA-N 444.651 5.022 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)c1nc2ccccc2n1C(F)F 32785299 RNORFAZDPMSYRZ-HNNXBMFYSA-N 425.508 5.653 30 20 IKED CC(=O)N[C@@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(C)cc1 46861611 NSCHOCNNKDJLHE-ZCYQVOJMSA-N 445.950 5.510 30 20 IKED Cc1ccc(C#N)cc1NC(=O)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1 58453382 KUKAHCRAMOVNHK-UHFFFAOYSA-N 449.938 5.126 30 20 IKED COc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OC)c(OCCCC#N)c2)c1 64613163 BDFMCAQMRMOSRB-VWLOTQADSA-N 443.503 5.157 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 72087466 UQYAWJUTUSPZQJ-UHFFFAOYSA-N 440.739 6.191 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1 97543259 LHFICNJUKZXJMT-KRWDZBQOSA-N 449.938 5.547 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2nc(-c3ccccc3)cs2)cc1 195605372 WLSJXMSVUUVFSU-UHFFFAOYSA-N 427.554 6.226 30 20 IKED CN(CCC#N)c1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 237213817 LGLWCOXJQBBIQS-UHFFFAOYSA-N 439.538 5.318 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)cc12 301767136 WKLTZIOYXIHIDK-KRWDZBQOSA-N 445.935 5.426 30 20 IKED N#CCCn1ncc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1-c1ccccc1 428317146 GEIDLPQSVDPNIM-UHFFFAOYSA-N 433.924 5.493 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3ccnn3Cc3cccc4ccccc34)CC2)cc1 429745593 ULZLQYBICOSYIA-UHFFFAOYSA-N 433.515 5.277 30 20 IKED N#CCSc1cccc(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)c1 429823660 JHYSLZWIBLPVML-UHFFFAOYSA-N 435.376 5.087 30 20 IKED C[C@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H]1OCCc2sccc21 431346824 ABSGUNRXEUGLQJ-XDHUDOTRSA-N 432.545 5.282 30 20 IKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 432786198 OJXVHTJWGIZGLX-AUSIDOKSSA-N 442.519 5.087 30 20 IKED COc1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1NC(=O)C1CCCCC1 433165421 ULWGEIGFFSWNLH-QFIPXVFZSA-N 448.567 5.771 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C)c1ccccc1 435740321 JVJPIYFTJUDINJ-HSZRJFAPSA-N 441.531 5.010 30 20 IKED C=CCn1c(SCc2noc(-c3ccc(F)cc3F)n2)nnc1-c1ccc(C)cc1 436050605 JBBTVAJMLBUVDD-UHFFFAOYSA-N 425.464 5.060 30 20 IKED CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 437030805 LRIRPBODTMJRIH-UHFFFAOYSA-N 439.563 5.076 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 438064840 VJDAXEKGLPMVKK-SJORKVTESA-N 428.989 5.382 30 20 IKED CN1CCC[C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[C@@H]1c1cccs1 438225851 ULDUNMLRMIUETB-NTKDMRAZSA-N 446.576 5.617 30 20 IKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)C(=O)N[C@H](CCC#N)c1ccccc1 439429467 FSBWZNPIXVAZPZ-NBGIEHNGSA-N 441.531 5.235 30 20 IKED CCCc1c(NC(=O)N(C)[C@@H](C)c2sc(CC)nc2C)cnn1-c1cccc(C#N)c1 439667496 YOKUIXLATIKXSX-INIZCTEOSA-N 436.585 5.249 30 20 IKED Cc1noc(C2CCC(NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)n1 440197421 CZZCGMSWTLRFKX-WIXQSORDSA-N 449.942 5.535 30 20 IKED O=C(N1CCC(C(F)(F)F)(C(F)(F)F)C1)C1(Cc2ccc(C(F)(F)F)cc2)CC1 440448018 PEJVWQWGCSKMEX-UHFFFAOYSA-N 433.314 5.371 30 20 IKED CCN(C(=O)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)[C@@H](C)C(C)C 441825427 PBAZGKKLTUHXGQ-HNNXBMFYSA-N 447.457 5.201 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)c1csc(-c2cccs2)n1 443413735 AEDPWKPZTFMOQV-UHFFFAOYSA-N 427.551 5.272 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)c1C#N 445567183 QYDYPJUVYNGGBM-IAGOWNOFSA-N 442.466 5.227 30 20 IKED CO[C@H]1CCOc2c(NC(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cccc21 448045447 RDQZNWQOFWJYAY-XDHUDOTRSA-N 427.504 5.578 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc2c1OCC[C@@H]2OC 448053660 ZFILENTVANLGIG-IBGZPJMESA-N 449.320 5.278 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)c(C(F)(F)F)c1 448203003 WQYMPRQXRYEXBN-ZDUSSCGKSA-N 445.466 6.375 30 20 IKED CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)C1 460157274 RQLANINIAUYAIS-GHTZIAJQSA-N 437.971 5.030 30 20 IKED C[C@@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)c1ccccc1-c1ccc(Cl)cc1 462088814 OIIKGUSORPJGGX-MRXNPFEDSA-N 442.910 5.342 30 20 IKED N#C[C@H](C(=O)c1oc2ccccc2c1COc1ccccc1)c1cc(C(F)(F)F)ccn1 464412674 UGOOIJMHOJNGOX-SFHVURJKSA-N 436.389 5.916 30 20 IKED C[C@@H](C(=O)Nc1c(-c2ccccc2)nc2ccc(Br)cn12)c1cccc(C#N)c1 464467134 JNZMWPCBWUZZKT-OAHLLOKOSA-N 445.320 5.378 30 20 IKED O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccc(OCC(F)(F)F)cc1 464726250 REHRPODSBSSSQI-UHFFFAOYSA-N 447.310 5.224 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)c1cccc(CC#N)c1 466875854 CQUGXZPEOAWXRT-ZDUSSCGKSA-N 440.366 5.438 30 20 IKED CC(C)(NC(=O)Nc1ccc(F)cc1OCC(F)(F)F)c1nc(C(F)(F)F)cs1 467690938 KEWJJYQGPYWQRU-UHFFFAOYSA-N 445.360 5.299 30 20 IKED N#CCCCn1cc(C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)c2ccccc21 469034266 QQVADWVBUUYZEJ-UHFFFAOYSA-N 428.467 5.201 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@]1(CO)Cc1ccccc1 474500575 NCMMPAAVJOTAHF-HHHXNRCGSA-N 441.531 5.261 30 20 IKED COc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c(OCCOC(C)C)c1 475242929 KXGZVASGKDPBCS-UHFFFAOYSA-N 436.533 5.351 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@H]1CCOc2ccc(Br)cc21 475550277 HGPBXOARYGNOSK-FQEVSTJZSA-N 443.385 6.289 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCCCc1nnc(SC)n1C1CCCC1 475571120 UOMKPDMXFWCFCN-UHFFFAOYSA-N 441.645 5.721 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCCCC[C@@H]1c1noc(-c2cnn(C)c2)n1 475578446 OVFMIUNFLGBQLA-OAQYLSRUSA-N 448.571 5.471 30 20 IKED COc1ccccc1-c1csc(C2CCN(c3nc(C(F)(F)F)ccc3C#N)CC2)n1 478157360 ZJBOZTBCPAMDGY-UHFFFAOYSA-N 444.482 5.488 30 20 IKED Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 479497776 BNLVUBRIAVUUDS-UHFFFAOYSA-N 442.588 5.022 30 20 IKED COc1ccccc1N1CCC(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 479560196 UIGQYNYDWXYGPX-UHFFFAOYSA-N 443.572 5.117 30 20 IKED C=C(C)[C@@H](NCc1nc(-c2cc(Br)cs2)no1)c1ccc(F)c(F)c1 481569658 FSSWLQILDVXREN-MRXNPFEDSA-N 426.286 5.246 30 20 IKED Cc1csc(CCCCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)n1 481686484 OHUUCJZZEQRIDI-UHFFFAOYSA-N 438.528 5.186 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(OC(F)F)cc3OC(F)F)c2)cc1 482777308 DBLSGTSVVIULRM-UHFFFAOYSA-N 446.356 5.806 30 20 IKED C=CCN(C(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1)c1ccccc1 484259396 DAFHYNZNJYQLJO-UHFFFAOYSA-N 447.585 5.516 30 20 IKED COc1ccccc1-c1csc(C2CCN(C(=O)Nc3ccc(F)cc3C#N)CC2)n1 484526913 MHGAMNAXZMGMBB-UHFFFAOYSA-N 436.512 5.241 30 20 IKED Cc1ncsc1-c1nc2ccccc2n1CC(=O)N[C@@H](CCCC#N)c1ccccc1 487501969 MOGNFMRDLFMCSH-IBGZPJMESA-N 429.549 5.020 30 20 IKED N#C[C@@H](C(=O)c1cc2ccccc2n1CC(F)(F)F)c1nc2cc(Cl)ccc2s1 489906423 CBYKJANDXBCNSC-ZDUSSCGKSA-N 433.842 5.957 30 20 IKED C[C@@H](c1ccc(OC(F)(F)F)cc1)[S@](=O)Cc1cc(C#N)ccc1Br 491611889 DXVOCFPJQNHDKB-JPQMIFPKSA-N 432.261 5.229 30 20 IKED O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 498808582 ZGBYGHWKQXNKHB-UHFFFAOYSA-N 435.274 5.440 30 20 IKED CCN(CC)c1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cn1 499600385 NHNMECBFMUOBHC-QFIPXVFZSA-N 447.970 5.558 30 20 IKED C[C@@H]1CN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)c2ccccc2N1Cc1ccccc1 504681166 UCSSZJZBTHTJGF-MRXNPFEDSA-N 436.437 5.028 30 20 IKED CCCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H](C)CC(=O)Nc1ccccc1 505309672 FGNSWTZKQBQLIL-RTBURBONSA-N 438.597 5.742 30 20 IKED COc1ccc(CN(CC2CC2)C(=O)Nc2ccccc2S[C@H](C)CC#N)c(OC)c1 505323986 BHDCGPMMOVFGER-QGZVFWFLSA-N 439.581 5.542 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 505986139 FYFUEJFFCWKRCL-KRWDZBQOSA-N 433.430 5.195 30 20 IKED COc1ccc([C@H](NC(=O)N2CCC(C)(C#N)CC2)c2ccc(C(F)(F)F)cc2)cc1 508381205 HKFCGHNDLGLTBZ-HXUWFJFHSA-N 431.458 5.139 30 20 IKED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511481897 HDZAQCUQOYYCEQ-KRWDZBQOSA-N 438.487 5.782 30 20 IKED COc1cc(Cl)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1OC 513823370 SYZIQSNIZWMGDC-UHFFFAOYSA-N 438.867 5.282 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 514220489 YCLNMPZVVVZSBG-NRFANRHFSA-N 428.454 5.332 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 515775615 XOVNGRONJZYNKV-DEOSSOPVSA-N 445.950 6.224 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(c2ccc(F)cc2)CCCCC1 516781562 YOVKIXKBKPDAMQ-UHFFFAOYSA-N 429.495 6.034 30 20 IKED CCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OC 517800784 HXTQMSNEYXLEEL-LJQANCHMSA-N 436.533 5.496 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1 518037745 MIEAGZFITMSKEO-UHFFFAOYSA-N 427.529 5.451 30 20 IKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)cc1 518158497 BKCRWCKPXUVCES-MGPUTAFESA-N 429.973 5.044 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccnc1Oc1cccc(F)c1 518256000 VGQWCGATEOLHFO-MRXNPFEDSA-N 436.512 5.729 30 20 IKED CC(C)Oc1cc(Br)ccc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 518507845 TYVVHYGNPVITOG-CQSZACIVSA-N 427.220 5.140 30 20 IKED Cc1ccccc1COc1cccc(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 518738882 CRYRMXNIGQEATD-FQEVSTJZSA-N 430.573 6.150 30 20 IKED Cc1noc([C@@H]2CCCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2)n1 519992627 AQVAJVBCDYSRRH-XLIONFOSSA-N 435.915 5.098 30 20 IKED N#CCC1CCN(C(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 521661854 OQDGRDUFKCVZEN-UHFFFAOYSA-N 449.454 5.531 30 20 IKED C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 523013936 UBDLWCKNQYKXIV-CVDCTZTESA-N 443.522 5.881 30 20 IKED C=CCn1c(S[C@@H](C)c2cccnc2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 524116085 DZEWSSLSCONXBC-AWEZNQCLSA-N 437.565 6.007 30 20 IKED COc1ccc(Cl)cc1NCCC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 524140476 BBVGNNBTGAVCOC-UHFFFAOYSA-N 449.938 5.548 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)C1CCN(c2nc3ccccc3s2)CC1 524168261 OFURJNWWTNDUIY-UHFFFAOYSA-N 444.585 5.752 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc4c(c3)nc3n4CCCCC3)o2)cc1 524384691 ONWIKRUIAXUKEI-UHFFFAOYSA-N 426.476 5.059 30 20 IKED CCCn1c(SCc2nnc(-c3ccc(C#N)cc3)o2)nc2ccc(C(F)(F)F)cc21 525623739 YSOAAWGNDGLGTL-UHFFFAOYSA-N 443.454 5.679 30 20 IKED N#Cc1c(NC(=O)CCN[C@@H](CC(F)(F)F)c2ccc(F)cc2)sc2c1CCCC2 537075841 HWEYOQUHKJEYDN-KRWDZBQOSA-N 439.478 5.250 30 20 IKED Cc1noc(CSc2ccc(C(=O)NCc3ccc(-c4ccccc4C#N)cc3)cc2)n1 539101512 TVZYKXMUYMRZBW-UHFFFAOYSA-N 440.528 5.139 30 20 IKED CC(=O)Nc1ccc(F)c(NC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1 540536959 IDAVDXMETJYCLB-OAHLLOKOSA-N 437.315 5.228 30 20 IKED C[C@H](NC(=O)N1CCC(c2c[nH]c3ncccc23)CC1)c1ccc(-c2cccc(C#N)c2)cc1 541157654 VDFYVBXOVJFNRM-IBGZPJMESA-N 449.558 5.752 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 543489046 MBGWJZMNOJBSOI-JTHBVZDNSA-N 432.520 5.499 30 20 IKED COc1cccc(C2=CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2)c1 543872941 ATMVQJLDBAWWIS-XMMPIXPASA-N 443.934 5.935 30 20 IKED N#CCCn1cc(/C=C/c2nc(Cc3nc(-c4ccncc4)cs3)no2)c2ccccc21 546360864 CIFJJGJYHBBONI-VOTSOKGWSA-N 438.516 5.218 30 20 IKED CCOc1ccc(Oc2ccc(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)cc2)cc1 548871207 HFBRAYAIQMYUFJ-UHFFFAOYSA-N 442.519 5.362 30 20 IKED Cc1noc(C)c1COc1ccccc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 549401112 JBUFLKNOZJAMPA-INIZCTEOSA-N 437.908 5.624 30 20 IKED Cc1ccc2nc(C)c(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cc2c1 557529403 XXVPHALKVORKOO-UHFFFAOYSA-N 429.467 6.129 30 20 IKED O=C(NCc1cc(F)c(C(F)(F)F)cc1F)Nc1ccc(-c2noc(C(F)F)n2)cc1 558355475 UQNONFXMARYGDH-UHFFFAOYSA-N 448.298 5.293 30 20 IKED CC(C)(C)c1csc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1 560725810 AXDPEBXQOBDXGX-SFHVURJKSA-N 438.984 6.071 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](C(F)(F)F)C2(CCC2)C1 569943371 HVTAQQQVKBNXIE-YJBOKZPZSA-N 425.520 5.074 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCO[C@H](c4ccc(Cl)cc4)C3)c2)cc1 577892462 RHMKAHROIGEOSD-DEOSSOPVSA-N 432.907 5.004 30 20 IKED N#CCCCCCC(=O)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2Cl)cs1 588828749 TUJLPPOATWZQQY-UHFFFAOYSA-N 441.959 6.610 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)CCSc3nnc(-c4ccc(F)cc4)o3)c2C#N)C1 589878624 DUKTUELWLVQDPG-GFCCVEGCSA-N 442.541 5.055 30 20 IKED COc1cc(CCC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc(OC)c1 603532658 JIYMATBUGJYRSA-UHFFFAOYSA-N 432.495 5.189 30 20 IKED COc1ccc(CCC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1OC 603533242 WHGSZYBRCYSCMO-UHFFFAOYSA-N 432.495 5.189 30 20 IKED CN(Cc1cc(Br)cs1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 603762625 YNHJMMWXBVCQMA-UHFFFAOYSA-N 441.350 5.233 30 20 IKED Cc1ccc(-n2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)nn2)cc1 603766008 INQIBELJHDSEPP-OAQYLSRUSA-N 427.895 5.137 30 20 IKED Cc1nc(NC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)sc1SCC#N 603775734 IFCCOLZHONIBHI-UHFFFAOYSA-N 448.598 6.110 30 20 IKED CCN(CCC#N)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1 603895083 NWFOQCMDEAKURU-UHFFFAOYSA-N 439.629 5.212 30 20 IKED N#Cc1cc(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)ccc1Cl 603952141 FBOXLTMGHRXHHJ-RCZVLFRGSA-N 443.934 5.330 30 20 IKED N#C[C@H](NC(=O)c1ccc(Br)s1)c1ccc(OCc2ccccc2)cc1 609028543 CHDJBKXRZWHYFT-KRWDZBQOSA-N 427.323 5.084 30 20 IKED CC(C)C(=O)Nc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 609378656 WHFGAXQWQUQMMN-UHFFFAOYSA-N 435.471 5.558 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1)O[C@@H](C)C2 609460829 WABQLAUEDRMZMP-NRULZOBBSA-N 445.346 5.200 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3nc(-c4ccccc4Cl)cs3)cc2)nc1 609496354 NHEQFRZZPHTGJE-UHFFFAOYSA-N 432.892 5.775 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@H](c2ccccc2)c2ccccn2)c1 609723422 RZAOSQFPAFGMHH-RUZDIDTESA-N 439.902 5.918 30 20 IKED Cc1cccc([C@@H]2CCCCCN2C(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 609812239 CAYXNURUWSCOBH-UGKGYDQZSA-N 435.593 5.329 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2nc3ccccc3s2)o1)c1nc2ccccc2n1C(F)F 613401970 VHORNVBJJXQAIP-LBPRGKRZSA-N 434.427 5.791 30 20 IKED N#C[C@@H](C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1nc2cc(Cl)ccc2s1 613404056 ZKHVAYYCMXLMFV-INIZCTEOSA-N 436.899 5.253 30 20 IKED CC(C)(C)OCc1ccc(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 615859505 FPPBNISPXMVMKY-UHFFFAOYSA-N 434.540 5.229 30 20 IKED C[C@@H]1Sc2ccc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2NC1=O 642282048 HADVIJKVXMTFLJ-JOYOIKCWSA-N 447.463 5.238 30 20 IKED O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674624360 YRLXDRSGYYBIIA-MGPQQGTHSA-N 446.338 5.048 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2ccc(C(F)(F)F)c(OC)c2)c1C(F)F 684161252 OUHWNILERPNDGK-UHFFFAOYSA-N 431.283 5.139 30 20 IKED C[C@H](OC(=O)CCc1ncc(-c2ccccc2Br)o1)c1cccc(C#N)c1 727635571 LFASKRCJWBZMLZ-AWEZNQCLSA-N 425.282 5.213 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)CC2)cc1 728268307 LNKGTEABFZEFIQ-UHFFFAOYSA-N 425.532 5.009 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 728767200 XIBVOAGHVZYFES-IQGLISFBSA-N 437.499 5.825 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(OCc3cccnc3)cc2)cc1 730181460 QUHODYBFKKZTQQ-UHFFFAOYSA-N 439.446 5.716 30 20 IKED C#CCOc1ccccc1[C@@H](C)OC(=O)COc1ccc(C2SCCCS2)cc1 730424199 SSZTZZNATNZBSN-QGZVFWFLSA-N 428.575 5.251 30 20 IKED Cn1ccnc1COc1ccc(C(=O)/C=C/c2cccc(OCc3ccccc3C#N)c2)cc1 731320691 YCTCYJQUKGUAJO-NTEUORMPSA-N 449.510 5.346 30 20 IKED C#CCN(C(=S)Nc1ccccc1Cl)[C@H]1CCOc2ccc(Br)cc21 733087059 NLKFCUYLUVUUQF-KRWDZBQOSA-N 435.774 5.258 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)C2(c3cccc(Cl)c3)CCCC2)ccc1OC 733228757 PJPLQAXHNJZQDG-FQEVSTJZSA-N 426.944 5.158 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(-c3ccc(Cl)cc3)s2)ccc1OC 733229892 IYVNLFGJOXRSNB-GOSISDBHSA-N 440.952 5.688 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(SC3CCCC3)cc2)ccc1OC 733620707 CICWAKNSPRIHFK-LJQANCHMSA-N 439.581 5.733 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2Oc2cccc(F)c2)ccc1OC 733625444 BGIXYYBNWDHKDO-IBGZPJMESA-N 449.482 5.629 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCC(c4cc5ccccc5[nH]4)CC3)c2)cc1 734320075 AOXNPTSTBBGPMQ-UHFFFAOYSA-N 435.527 5.638 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](c1ccccc1)C1CCOCC1 734645998 BDTZAGWAEOHAIF-AREMUKBSSA-N 441.531 5.948 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)C3CCOCC3)cc2)cc1 734650818 HZHGWGJRIMPVML-RUZDIDTESA-N 427.504 5.640 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)C1(c2cccs2)CCCCC1 738705226 YITMEJQCAPKYLX-QGZVFWFLSA-N 442.606 5.384 30 20 IKED COc1ccccc1-c1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)no1 742961722 MZMIZLRFVCQJEF-UHFFFAOYSA-N 429.407 5.406 30 20 IKED COc1ccc(Cl)c(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 742995304 VBVJFTZVNDGTJZ-UHFFFAOYSA-N 437.952 5.917 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](CSc3ccccc3)C2)cc1 743096200 OFOBZAMIJDAVSB-NBGIEHNGSA-N 427.573 5.988 30 20 IKED CC(=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(-c2ccncc2)cc1 745195546 IRTJDHDHMMJUPK-UHFFFAOYSA-N 442.544 5.386 30 20 IKED C[C@@H](c1cccs1)N(CC(=O)[C@@H](C#N)c1nc2ccccc2s1)Cc1ccccc1 746156332 IXKZPTPIUDQVSI-PKOBYXMFSA-N 431.586 5.797 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)CCc3nnc(-c4ccc(Cl)cc4)o3)c2)s1 746288891 DVOBLUAAQBCLSR-UHFFFAOYSA-N 448.935 5.239 30 20 IKED Cc1c(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cnn1-c1ccccn1 748442905 ZJHLVFMKSLGJLZ-MDWZMJQESA-N 442.906 5.378 30 20 IKED CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 748939288 CEOPNMOWVNZCSA-HSZRJFAPSA-N 445.519 5.255 30 20 IKED C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl 750684742 TXYXYPNXOJQCFI-IUODEOHRSA-N 444.343 5.370 30 20 IKED COc1ccc(-c2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)n[nH]2)cc1OC 751350462 FXEDPWGZPBVMFG-OAQYLSRUSA-N 438.487 5.002 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)c2c1N(C(=O)c1c(F)cc(C#N)cc1F)CCC2 753471714 JULLWEKFISGXAN-UHFFFAOYSA-N 427.451 5.085 30 20 IKED Cc1nc(CCC(=O)OCC2CCC(C#N)CC2)oc1-c1ccc(Br)cc1 755977244 QSPUWTXGIUAYBF-UHFFFAOYSA-N 431.330 5.218 30 20 IKED Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)[C@@H](C#N)c2cc(C)nc(C)n2)cc1 757874151 FZMAXFDERMKLTE-NRFANRHFSA-N 438.556 5.611 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc4ccc(Cl)cc4n3)n2)cc1 759266274 AMFUQKPIQUEONC-XTXLJPNXSA-N 440.915 5.773 30 20 IKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1cc(Cl)cc2cccnc12 763126825 CXQIFJGRYMSCAW-UHFFFAOYSA-N 429.936 5.395 30 20 IKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NNCc1cnc2ccccc2c1 764778719 LKPRFDLVBXQDIJ-UHFFFAOYSA-N 443.860 5.525 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 764824551 ZAFCDRHUKDMCGE-LJQANCHMSA-N 428.275 5.033 30 20 IKED C=CCn1c(-c2ccccc2C)nn(CN2CCC(OCc3ccccc3)CC2)c1=S 764864424 JQRLEHCHBVXARK-UHFFFAOYSA-N 434.609 5.214 30 20 IKED C=CCn1c(-c2cccs2)nn(CN2CCO[C@H](c3cccc(Cl)c3)C2)c1=S 767487225 BUFXELWMSOMCGW-KRWDZBQOSA-N 433.002 5.013 30 20 IKED Cc1nnc(-c2cccc(C#N)c2)n1CN1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 768903482 DRJUWJAKRZSCRB-OAQYLSRUSA-N 425.458 5.329 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCc1ccc(CC#N)cc1 776113209 CCXNIMVHKUSKBD-OAHLLOKOSA-N 426.925 5.426 30 20 IKED Cc1nnc(SCc2c(C(=O)OC[C@@H](C#N)Cc3ccccc3)oc3ccccc23)s1 783110566 NAJGOBYIRODPJH-QGZVFWFLSA-N 449.557 5.424 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CC1CCC(C(F)(F)F)CC1 783351676 YTVJCHJYMROEEW-RUXDESIVSA-N 430.854 5.063 30 20 IKED C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1c[nH]c2ccccc12 786307701 AOEIEOCQDQWFPX-RXVVDRJESA-N 437.499 5.801 30 20 IKED C[C@@H](NC(=O)[C@H](C#N)C(=O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1Cl 787051807 VFKKSMGMTWDVIO-MEBBXXQBSA-N 429.225 5.212 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1 788353273 ZBQZXGVWZGULDJ-UQBPGWFLSA-N 440.543 5.913 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 789719386 OWVLOKHDKXUNQN-UHFFFAOYSA-N 432.561 5.007 30 20 IKED CC(=O)N(c1nc(COC(=O)c2cc(C#N)ccc2Cl)cs1)c1cccc(C)c1C 803835381 MMJPDKMNYPHXGM-UHFFFAOYSA-N 439.924 5.327 30 20 IKED N#C[C@@H](C(=O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1)c1cc(C(F)(F)F)ccn1 813212082 WYIAOMVMEBPEDF-WIYYLYMNSA-N 430.813 5.750 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1ccc(N2CCCOC2=O)cc1 814635504 COVAOCULCGEMRM-IRXDYDNUSA-N 438.553 5.310 30 20 IKED Cc1ccc(COc2cccc(NC(=O)C(=O)N[C@H](CCCC#N)c3ccccc3)c2)cc1 815789844 PMCLRBTUTQKOOZ-RUZDIDTESA-N 441.531 5.064 30 20 IKED CC(C)Oc1ccc(-c2ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c(F)c2)cc1 817050527 SIZINNMOWWALNX-VWLOTQADSA-N 440.515 5.480 30 20 IKED Cc1ccc(C/N=C(/NCc2cccc(NC(=O)N3CCCC3)c2)Nc2ccccc2)cc1 849066370 DJGGDLXTGAYZFI-UHFFFAOYSA-N 441.579 5.381 30 20 IKED CCOc1c(Cl)cc(C=NO[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)cc1OC 852180218 KRQTYTMMQRGGCT-CQSZACIVSA-N 439.339 5.395 30 20 IKED Cc1nn(-c2ccccc2)c(COC(=O)c2ccccc2SCc2cscn2)c1C#N 875246564 HPAPQYSJHULAJF-UHFFFAOYSA-N 446.557 5.158 30 20 IKED Cc1sc(NC(=O)c2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)c(C#N)c1C 893117139 CDVAGXAPJQAOIV-UHFFFAOYSA-N 444.512 5.483 30 20 IKED CC(=O)N1CCc2cc(C(=O)[C@H](C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)ccc21 915103540 XFKIYJPCJPVNDD-DHMAKMBKSA-N 445.588 5.010 30 20 IKED COC(=O)c1ccc(COc2ccc(/C=C\C(=O)c3ccccc3Cl)cc2OC)o1 916135412 ZLXSFPUMHFLUDY-YFHOEESVSA-N 426.852 5.203 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2ncc(Cl)cc2Cl)cs1 916317161 ZZQSZNGQLDAEDY-UHFFFAOYSA-N 434.352 5.592 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)[C@@H](C#N)c1ccc2ccccc2n1 916849667 YUPLRUPMUXFHGY-IBGZPJMESA-N 449.341 5.763 30 20 IKED C[C@H](c1ccccc1)n1c(-c2ccccc2)nn(CN(C)Cc2cccc(C#N)c2)c1=S 917429088 OFQGSFDMOIKFNR-HXUWFJFHSA-N 439.588 5.652 30 20 IKED CCCCCCCCc1nnc(NC(=O)c2cc3c(C(F)(F)F)cc(O)nc3o2)s1 918681673 OVYXOMIHDOCRFF-UHFFFAOYSA-N 442.463 5.559 30 20 IKED CCCCc1oc2ccccc2c1/C=C/C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 920264987 GZCABLGMXHPADF-XTXLJPNXSA-N 427.529 6.184 30 20 IKED CC(C)(C)c1ccc(OCc2nnc(S)n2N=Cc2cnc(C(C)(C)C)s2)cc1 920365428 BATKRVKORCEUJL-UHFFFAOYSA-N 429.615 5.080 30 20 IKED N#C[C@@H](C(=O)C1(c2ccccc2F)CCCC1)c1nc(-c2c(F)cccc2F)cs1 920804490 RWLHRJAHBJCODH-AWEZNQCLSA-N 426.463 5.916 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CCc3cc(F)ccn3)cc2)CCC1 1786819096 WIOIRYHGBCLXCL-UHFFFAOYSA-N 435.543 5.056 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@]3(F)CCCCC3(F)F)cc2)CCC1 1789166145 IAHRZSLOOOPSCZ-HSZRJFAPSA-N 434.502 5.232 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)nn3C(F)F)cc2)CCC1 1790133994 KZJFBDAUVCZLQN-UHFFFAOYSA-N 442.510 5.103 30 20 IKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4sc(C)nc4C)CCC3)cc2)c1 1790796712 CDXZDMSFEWBGTO-UHFFFAOYSA-N 444.560 5.002 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccnc3ccccc23)[nH]n1 1814443356 UOVRVYNZPZDDMN-JOCHJYFZSA-N 445.567 5.256 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccsc2)CC1 1825301473 YHQUZDZLMVUGPO-UVIRAJKCSA-N 428.642 5.373 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc(Cl)ccc2F)CC1 1825362667 JMTMETPDFMDWEH-IBGZPJMESA-N 449.998 5.100 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3cnccc23)CC1 1828653425 YNWLQHWVLHYNHJ-RUZDIDTESA-N 447.623 5.461 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)CCCCC)CC2)CC1 1838424803 ZIOXHKVGAIYWDG-NRFANRHFSA-N 434.665 5.194 30 20 IKED Cc1cc(C)c(Nc2nnc(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)s2)c(Cl)c1 16328479 AUSHEKCOGSQUQY-YJYMSZOUSA-N 438.022 5.087 30 20 IKED N#Cc1c(NC(=O)CCSc2nnc(C3CC3)n2-c2ccccc2)sc2c1CCCC2 45699585 WMZPKBVSOJGOBQ-UHFFFAOYSA-N 449.605 5.078 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3c[nH]cc3-c3ccc(Cl)s3)c2)c1 60581814 CCHSZJIMLVBTGL-UHFFFAOYSA-N 433.920 6.100 30 20 IKED COC(=O)c1ccc(-c2nc(CSc3nc(C)cc(C(F)(F)F)c3C#N)cs2)cc1 64854110 WMIUPCXYHFALHZ-UHFFFAOYSA-N 449.479 5.483 30 20 IKED CCc1ccc([C@@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)N(C)C)cc1 255951293 FYWOGSWHXWAQEN-RUZDIDTESA-N 443.616 5.446 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)o1 303309804 QPPOEEYOMWMSTA-ZDUSSCGKSA-N 444.969 5.373 30 20 IKED C=CCOc1ccccc1CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 303468113 IJADCKUSFFVFDI-UHFFFAOYSA-N 435.833 5.039 30 20 IKED N#CCCn1ncc(C(=O)Nc2cccc(CSc3ccccn3)c2)c1-c1ccccc1 428906327 MTCAXSXQIVTXFE-UHFFFAOYSA-N 439.544 5.403 30 20 IKED C[C@@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)Cc2ccccc2O1 432680029 QGYHCMOSCMBQPT-LJQANCHMSA-N 427.504 5.147 30 20 IKED N#CCCC[C@@H](NCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1 433014303 ROFRLAVXAYDBQZ-YADHBBJMSA-N 430.379 5.682 30 20 IKED O=C(Nc1c(F)cccc1Br)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 438451733 ZTTGSEMXCJJBAA-UHFFFAOYSA-N 430.117 5.878 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 440437733 BJBRHNOGWHLIFE-CVDCTZTESA-N 446.576 5.017 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1)c1ccc(C#N)cc1 443941527 HSNMAQVLWUIDGR-OAHLLOKOSA-N 443.894 5.830 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc(Sc2ccncc2)cc1 446522870 RBTIAZZCQIFCRK-UHFFFAOYSA-N 443.981 5.101 30 20 IKED O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1cccc(OCC(F)(F)F)c1 464725882 GGOGNZSBXFDETF-UHFFFAOYSA-N 447.310 5.224 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)cc1 464860316 ZWXHTTRTNAOSSS-DEOSSOPVSA-N 440.478 5.051 30 20 IKED N#Cc1cc(F)ccc1NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466430995 MAVYRHVMOHIRAZ-UHFFFAOYSA-N 427.844 5.662 30 20 IKED C=CCN(Cc1ccccc1)C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 467034787 OBWXALJNABVRIR-UHFFFAOYSA-N 431.483 5.727 30 20 IKED C[C@H](CC(F)(F)F)NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 467352247 FRMJUPDVWDPLRY-SECBINFHSA-N 425.304 5.494 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)c1 468630323 GZCXWPUEMHVBIC-ISKFKSNPSA-N 435.911 5.071 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1cccc(N2CCCC2=O)c1 469413292 DCLUNWTUOBUECB-UHFFFAOYSA-N 447.482 5.019 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCCCC[C@H]3c3ccccc3)ccc21 470549833 QNNKGIZMTZNIEZ-QHCPKHFHSA-N 430.552 5.419 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Br)c(Cl)c3)n2)cc1 477881906 VZCWFSCQJXRCKI-AWEZNQCLSA-N 442.725 5.588 30 20 IKED CC(C)c1ccc([C@H](NS(=O)(=O)Cc2ccc(C#N)cc2F)c2cccs2)cc1 478133045 KHSTVPGWYDMKOF-QFIPXVFZSA-N 428.554 5.091 30 20 IKED CC[C@@H](NC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1nc(C(F)(F)F)cs1 482408731 WHZXNEGQGXVSQB-SKDRFNHKSA-N 447.351 5.494 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NCC3(c4cccc(Cl)c4)CCOCC3)c2)cc1 483416424 ZNCODXMHZQXZSA-UHFFFAOYSA-N 446.934 5.482 30 20 IKED CN(C(=O)C[C@H](CC#N)c1ccccc1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 484070809 FYDRJEOYUTUPMZ-HNAYVOBHSA-N 428.376 5.855 30 20 IKED N#CCCC[C@@H](NC(=O)Cc1csc2ccc(Br)cc12)c1ccccc1 487453038 BOQILICCXHQXQH-LJQANCHMSA-N 427.367 5.758 30 20 IKED CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 487598922 CIODCJVUYBMNNU-UHFFFAOYSA-N 433.895 5.310 30 20 IKED Cc1ccc(NC(=O)[C@@H](C)Sc2nc(C(F)(F)F)ccc2C#N)c(Br)c1 488758021 AWLMKWVPGVLFHX-SNVBAGLBSA-N 444.276 5.162 30 20 IKED Cc1ccc(NC(=O)Cc2nc(CSc3nc(C(F)(F)F)ccc3C#N)cs2)cc1 488768829 ROZYPNUQPNPMQG-UHFFFAOYSA-N 448.495 5.211 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)nnc1-c1ccccn1 488903624 SEWLGIBZWUAQDC-MSOLQXFVSA-N 443.576 5.037 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3cnn(-c4ccc(C(F)(F)F)cc4)c3)CC2)cc1 502675497 MAXZFRFEDBFDQQ-UHFFFAOYSA-N 437.425 5.084 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc(C)cs2)ccc1OCc1ccc(Cl)cc1Cl 502689729 NCPKZDTZPZOJFL-MRXNPFEDSA-N 447.343 5.836 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2nnc([C@H](CC)c3ccccc3)s2)cc1 503190116 JBVSXFARMNVYHL-GOSISDBHSA-N 436.541 5.032 30 20 IKED Cc1nc(C(=O)N(Cc2ccc(-c3ccccc3C(F)(F)F)o2)C2CC2)ccc1C#N 508741080 JZYLRRRHANFKML-UHFFFAOYSA-N 425.410 5.345 30 20 IKED N#Cc1ccc(CNC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 509858253 MMDLQZOWASUQQH-UHFFFAOYSA-N 425.513 5.289 30 20 IKED C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510007197 SXAOFRODXQJSQD-VFNWGFHPSA-N 439.893 6.499 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3cccc4cccc(Br)c34)CC2)cc1 511150686 BEDYLSQCFMRWJK-UHFFFAOYSA-N 435.321 5.158 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1Cl 514884875 SJJBWCQPFCCAIY-GOSISDBHSA-N 441.821 5.363 30 20 IKED CCc1ccccc1NC(=O)CN(C)C(=O)c1ccccc1SCc1ccc(C#N)cc1 518765844 OQYQGJBDULQUOH-UHFFFAOYSA-N 443.572 5.124 30 20 IKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(F)cc1 519088690 LBKIODQFQTZHDK-QHCPKHFHSA-N 445.494 5.332 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1nc2cc(Cl)ccc2s1 520406229 NIIUIJUQXVGIII-UHFFFAOYSA-N 435.961 5.903 30 20 IKED COc1ccc(Br)c2[nH]c(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc12 521329730 LPXUZNUYZGOQFK-GFCCVEGCSA-N 444.354 5.586 30 20 IKED CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 521952344 MVJFPWUHGGNKDK-UHFFFAOYSA-N 427.504 5.326 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 524146833 FUMQXIBCIRHJJF-UHFFFAOYSA-N 447.951 5.698 30 20 IKED C=C(C)Cn1c(SCc2nc(Cc3ccc(Cl)cc3)no2)nnc1-c1ccco1 531688347 NSXVCBKJZQXQEH-UHFFFAOYSA-N 427.917 5.034 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)[C@@H]2COc3ccccc32)cc1 533630355 LYEVCHNCOOFZQJ-IERDGZPVSA-N 429.476 5.045 30 20 IKED Cc1ccnc(OC2CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)c1 541094567 NGLYYKZRKWXGMV-UHFFFAOYSA-N 428.492 5.129 30 20 IKED Cc1cccc([C@@H]2CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)C2)c1 541418984 BWPZCMXRCMEROY-XMMPIXPASA-N 425.532 5.662 30 20 IKED CN(Cc1cccc(OCc2cccc(C#N)c2)c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 544622410 ZMKBDPDYWSJYNZ-BDYUSTAISA-N 430.523 5.628 30 20 IKED CC(=O)Nc1cc(-c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)ccc1F 544987599 MGIXXKUSCLBSHT-UHFFFAOYSA-N 433.283 5.539 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(OC2CCCC2)CC1 549248814 YTUPDZJPILSFNB-GOSISDBHSA-N 428.552 5.061 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H](c2c[nH]c3ccccc23)C(F)(F)F)o1 553159262 MFJGEAUPJZSYHN-NRFANRHFSA-N 439.393 5.245 30 20 IKED CC1(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 557554647 ABKJCTVHIOXJAM-LJQANCHMSA-N 439.962 5.048 30 20 IKED N#Cc1cc(-c2nc(-c3ccnc(Oc4ccccc4Cl)c3)no2)cnc1C(F)(F)F 559935404 QCEQZESSRNCFCH-UHFFFAOYSA-N 443.772 5.530 30 20 IKED O=C(NCc1cc(F)c(C(F)(F)F)cc1F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 562011436 XKGXJAUZQFYMCK-UHFFFAOYSA-N 444.244 5.010 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[C@@H](C#N)c3nc4cccc(C)c4[nH]3)cc12 565767997 MWHVPVVWQPWPBP-GOSISDBHSA-N 443.507 5.268 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N(Cc3ccccc3)CC3CCOCC3)cc2)ccn1 570090818 YSGXLIPOXJWRAV-UHFFFAOYSA-N 442.519 5.206 30 20 IKED C[C@@H](c1ccccc1)N(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C1CC1 572868093 OCRYCOQUVKXMRX-FQEVSTJZSA-N 425.532 6.089 30 20 IKED N#Cc1c(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)sc2c1CCC2 591712684 OEAXJNOJJYTFLU-UHFFFAOYSA-N 433.480 5.432 30 20 IKED Cc1nc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)sc1SCC#N 603909907 ZFZWCUSAGJQNIZ-UHFFFAOYSA-N 445.573 5.231 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(CN4CCCCCC4)CC3)cc2)cc1 604461392 SJCVSIWYJOBGEF-UHFFFAOYSA-N 432.568 5.470 30 20 IKED CSc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)ccc1NC(C)=O 609063507 CBDCSDBTWCQYBR-UHFFFAOYSA-N 431.517 5.070 30 20 IKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cnn1-c1ccccc1F 609104138 PKLRXGMMUQNJRK-UHFFFAOYSA-N 444.441 5.162 30 20 IKED COc1ccc(S[C@H](C)C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 609173531 SPUOBPILABAPMW-HOYKHHGWSA-N 432.545 5.136 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(-c2noc(C3CC3)n2)cc1 609371238 BTQAMWOZGUHZBZ-OAHLLOKOSA-N 434.521 5.026 30 20 IKED C[C@H]1Cc2ccccc2N1C1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 609401993 QTULSCKYFTZSMN-MOPGFXCFSA-N 434.609 5.386 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccn(-c4cccc(C(F)(F)F)c4)n3)cn2)cc1 609968581 SRFJQEPCTHKLIJ-UHFFFAOYSA-N 449.392 5.202 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(NC[C@H]4CCCO4)c(F)c3)cc2)cc1 610069574 PPGUQJHNDHXNQO-HSZRJFAPSA-N 445.494 5.527 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1ccn(-c2ccc(F)cc2)n1 610223467 KHSYKYWCFHSVPE-UHFFFAOYSA-N 442.469 5.107 30 20 IKED Cn1ccnc1[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccccc1 610335102 UCXWEZDLBDNABS-HSZRJFAPSA-N 441.466 5.134 30 20 IKED Cc1cnn(-c2ccc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2)c1 613404694 PNWRQSWLWREHEQ-MRXNPFEDSA-N 426.423 5.299 30 20 IKED C[C@H]1CN(C(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)CCC1(F)F 644601810 XNQPWUJCXJBBRH-JTQLQIEISA-N 441.322 5.027 30 20 IKED O=C(Nc1ccc2nc(C(F)F)sc2c1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 672819177 OOFTZZLJXZYXCY-YUMQZZPRSA-N 433.324 5.438 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@@H](C#N)c1nc2c(C)ccnc2[nH]1 674299123 BIEVWGPHFHRQDO-CQSZACIVSA-N 441.438 5.207 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(Cc2cccc(F)c2)CCC1 681261572 JZAGSNVVOYAZBY-FOLVSLTJSA-N 425.388 5.564 30 20 IKED Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1cc(F)c(C(F)(F)F)c(F)c1 683197841 QTWNGITYEZCWMW-UHFFFAOYSA-N 431.311 5.067 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N[C@H]1C[C@H](c2ccccc2F)C1 684803394 VWHHYIJDOXFAMU-CYDGBPFRSA-N 426.376 5.280 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2CCC(c3c(C)[nH]c4ccccc34)CC2)c1=S 725771443 WIZNBTTZUDNQAX-UHFFFAOYSA-N 444.608 5.289 30 20 IKED N#Cc1ccc(NC(=S)N(Cc2cccs2)c2ccc3c(c2)OCCO3)cc1Cl 726443404 AZUCVDBTALSBKI-UHFFFAOYSA-N 441.965 5.448 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 726572383 AQYKZKPDRGYMCO-UHFFFAOYSA-O 448.011 6.230 30 20 IKED Cc1ccccc1-n1c(C)cc(C(=O)Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)c1C 728704294 CFNISUZZOOWKNE-UHFFFAOYSA-N 429.907 5.125 30 20 IKED Cc1ncccc1/C=C1/CN(Cc2ccc(Cl)cc2)C/C(=C\c2cccnc2C)C1=O 728787558 OOLHLGHTLHWGDX-NQGGHMMCSA-N 429.951 5.299 30 20 IKED Cc1oc2c(CN(CCC#N)CCC(C)C)c(O)ccc2c(=O)c1-c1ccccc1Cl 728901349 GECKGUXHDLORDZ-UHFFFAOYSA-N 438.955 5.889 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1C#N 729420480 SOOCLYDGTANAGK-ZDUSSCGKSA-N 434.496 5.312 30 20 IKED N#C[C@@H](C(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1ccc2ccccc2n1 730688082 ZCXVBTIMIDZZFA-KBMIEXCESA-N 430.866 6.024 30 20 IKED N#C[C@H](NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccc(Cl)c1Cl 731195504 ITRPQQLGZHKCTE-HNNXBMFYSA-N 439.224 5.193 30 20 IKED CCCOc1nc2ccccc2cc1/C=C/C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 731769122 XMXXABUYLCMIEF-IWGBCORSSA-N 437.499 5.418 30 20 IKED O=C(/C=C\c1ncc(-c2cccc(Br)c2)[nH]1)c1sccc1Br 731939395 XAXUWOKWVVFFKW-PLNGDYQASA-N 438.144 5.559 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 731973665 CMVQMELSCQAODG-UHFFFAOYSA-N 430.464 5.345 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N(CC3CC3)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)nc1 731982893 HFWRETLSRULGPA-UHFFFAOYSA-N 448.866 5.364 30 20 IKED Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(C)C 732706897 TYSQNHSMCZYHEY-DQEYMECFSA-N 425.532 5.103 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N(CC)[C@@H](c2ccc(C)cc2)c2cccnc2)cc1OC 732964240 UKVZUUGMDRXRBS-RTXANKQESA-N 442.559 5.615 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](C)c2cc(Cl)ccc2Cl)ccc1OC 733646524 SZOBAZFWDKPLPR-CZUORRHYSA-N 436.339 5.243 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(OCc3ccc(C)cc3)c2)c1 733845169 OCYAMMAPPKQNGI-HSZRJFAPSA-N 429.520 5.577 30 20 IKED C=CC[C@@H](NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccncc1 734457806 PDWRMYZBMPPMCP-HXUWFJFHSA-N 436.899 5.303 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)CCc3nc4cc(C(F)(F)F)ccc4s3)[nH]c12 735793302 SBVXKUQDXWFPED-ZDUSSCGKSA-N 428.439 5.309 30 20 IKED COc1ccc(-n2c(-c3ccccc3)nn(CN(CCC#N)C(C)C)c2=S)cc1Cl 739842038 UVMAERLXQTZWAX-UHFFFAOYSA-N 441.988 5.314 30 20 IKED CN(Cc1ccccc1N1CCCC1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740059542 KOEAIEQHGSKEFK-UHFFFAOYSA-N 430.577 5.229 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Nc3cccc(OCc4cccnc4)c3)c2)s1 740441572 UTTBDWZOLQQNDJ-UHFFFAOYSA-N 440.528 5.582 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@@H](CCO)c3cccs3)cc2Cl)c1 741065637 IKIXFEZQRBWSOP-IBGZPJMESA-N 441.940 5.097 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1C(F)(F)F 744075737 VUOMDEGLUMXLEN-AAEUAGOBSA-N 436.405 6.087 30 20 IKED CC(C)c1c(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)cnn1-c1cccc(Cl)c1 746486752 VAWDRCASTPOOOC-UHFFFAOYSA-N 444.278 5.335 30 20 IKED COCC[C@@H](Cc1cccc(Br)c1)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 747193259 GYMHSTBSMSEZST-DOTOQJQBSA-N 435.387 5.101 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 748312931 SOYWAMZMHQYFKD-QBUWPKIASA-N 443.613 5.588 30 20 IKED Cc1cc(CCCC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c(C)s1 753390911 UDOQFHTVRXKWCU-MRXNPFEDSA-N 425.579 5.153 30 20 IKED CN1C(=O)CCc2cc(C(=O)/C=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)ccc21 754687867 OACLHQKVRMBLJW-WEVVVXLNSA-N 436.851 5.313 30 20 IKED COc1ccc(C(=O)Oc2ccc(C=NOc3ccccc3C(F)(F)F)cc2OC)cc1 754712713 QNCZPYMUYVQVLU-UHFFFAOYSA-N 445.393 5.355 30 20 IKED C#CC[C@@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1)c1ccccc1 757758582 ZQCYKQBKSAXZRT-BWKNWUBXSA-N 446.572 5.187 30 20 IKED N#C[C@@H](C(=O)CCn1ccc2cc(Cl)ccc21)C(=O)Nc1ccc(Cl)cc1Cl 759214621 ZQBBPRJEETUXTA-HNNXBMFYSA-N 434.710 5.339 30 20 IKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2)=C(/O)c2ccc(C#N)cc2)cc1 762445535 QRJYHBXZZNLYKE-UHFFFAOYSA-O 428.581 6.073 30 20 IKED C=CCn1c(SC[C@H](O)c2ccc(C#N)cc2)nc2scc(-c3ccccc3)c2c1=O 763232483 OJRLCICGLSJHJF-FQEVSTJZSA-N 445.569 5.008 30 20 IKED C[C@](O)(CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1cccc(Cl)c1 765775151 NFXWPBWELYOMDY-DEOSSOPVSA-N 436.964 5.141 30 20 IKED C[C@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)cc1 769787550 QLFUXOZGUIRPIU-QHCPKHFHSA-N 425.576 5.074 30 20 IKED CN(C)c1ccc(N=Nc2ccccc2C(=O)Nc2ncccc2OCCCC#N)cc1 772120640 VVSSYBPQOYHPOC-UHFFFAOYSA-N 428.496 5.498 30 20 IKED C[C@H](NC(=O)Cc1ccccc1CC#N)c1nc(-c2ccc(Br)cc2)cs1 776980248 OAGIPGUZJACFTC-AWEZNQCLSA-N 440.366 5.059 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cccc(NC(=O)OC(C)(C)C)c3)n2)cc1 777298458 ZFRWZXNXTMZZFA-HXUWFJFHSA-N 447.560 5.885 30 20 IKED COC1CCN(c2ccc(N[C@H](C)c3ccc(OCC#N)cc3)cc2C(F)(F)F)CC1 777683210 YMYASLMJZPEAEG-MRXNPFEDSA-N 433.474 5.396 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(Oc2cccc(Br)c2)nc1 780164165 VLDIEZXSTREOQI-AWEZNQCLSA-N 438.281 5.180 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cnc1Br 788349240 MSGONUSNXZWBBR-CYBMUJFWSA-N 448.729 5.120 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccnc(Oc3ccc(F)cc3F)c2)cc1 789405586 YUDOEUVZNXLTMK-FOIQADDNSA-N 449.457 5.627 30 20 IKED C[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 795983303 PISISMQWFLTPMQ-HOCLYGCPSA-N 429.398 5.447 30 20 IKED Cc1c(C(=O)OCc2csc(CC(=O)Nc3ccccc3)n2)sc2ccc(C#N)cc12 796616189 YXYHEYDDVRNSNI-UHFFFAOYSA-N 447.541 5.076 30 20 IKED CC(C)[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccnc1 797943549 SKPCNAOHDHBMBH-QFBILLFUSA-N 430.360 6.128 30 20 IKED C=C(CNC(=O)Nc1ccc(N2CCC(OC)CC2)c(C(F)(F)F)c1)c1ccccc1 806255802 PHYGVHQNDZXFTD-UHFFFAOYSA-N 433.474 5.156 30 20 IKED COc1ccc2cc(NC(=O)C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)ccc2c1 807307129 OYWYUBSVDIQTFH-UHFFFAOYSA-N 437.455 5.090 30 20 IKED CC(=NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1)c1cn2c(n1)CCCC2 807951941 DCNBSWXTAGTYFQ-UHFFFAOYSA-N 436.581 5.012 30 20 IKED Cc1nn(CC(F)(F)F)cc1C(=O)O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F 809126562 SAEHVZYVVSUXBF-LBPRGKRZSA-N 434.258 5.233 30 20 IKED CCCCCCN(C(=O)c1cccc(C#N)n1)c1nnc(-c2ccc(Cl)cc2)s1 813038179 RKCJLPGGULOOAO-UHFFFAOYSA-N 425.945 5.352 30 20 IKED CCOC(=O)c1ccc(C#N)c(SCC(=O)N2c3ccccc3Sc3ccccc32)n1 818134670 GVBQAAULNSBOPT-UHFFFAOYSA-N 447.541 5.052 30 20 IKED CC(=Nn1c(S)nnc1-c1cccc(Cl)c1)c1sc2nc(C)nc(C)c2c1C 863966680 KPWGONLBSMDSNZ-UHFFFAOYSA-N 428.974 5.089 30 20 IKED C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(-c2cccs2)nn(CN(CCC#N)CCC#N)c1=S 915794584 XXQDLIJFTAHSHN-YDZRNGNQSA-N 440.642 5.227 30 20 IKED CC(=O)N/C(=C\c1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 916056818 IPWTXQAMHKYLGJ-UTKDAVAPSA-N 429.907 5.111 30 20 IKED O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(OC(F)F)cc1 916137763 UAYQJWUAIWCGBD-MDWZMJQESA-N 427.834 6.090 30 20 IKED CC(C)COc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916907360 YDAPCHAYMURQCH-QFIPXVFZSA-N 428.488 5.475 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1ccc(F)cc1F)c1nc(-c2ccc(Cl)cc2)cs1 916975205 AXOLTLDIDBBSIG-INIZCTEOSA-N 430.863 5.581 30 20 IKED Cc1ccc(-n2c(SCC(=O)[C@H](C#N)c3nc(C)cs3)nc3ccccc32)c(C)c1 917437508 QEGFBQOKFOPFRZ-KRWDZBQOSA-N 432.574 5.376 30 20 IKED COCCCCN(Cc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 920060060 JAIPQFYOHPINEA-SANMLTNESA-N 427.548 5.803 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 920106077 RFHIKXCICYBENA-NRFANRHFSA-N 444.922 5.067 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2cc(C)ccc2C)cs1 920366611 SEKDGQSYWKLRSZ-UHFFFAOYSA-N 432.471 5.909 30 20 IKED C[C@H](C#N)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCC2(CCCCC2)O1 1596831262 LBUBEKUIWRRVNW-NQIIRXRSSA-N 442.007 5.000 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)o4)cc3)CCC2)c1 1788879780 DMAVVTQSFGRYBA-MRXNPFEDSA-N 447.922 5.622 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@H]4c4ccccc4)CCC3)cc2)cc1 1790708726 PKEVIHUNUZJMOW-UIOOFZCWSA-N 449.554 5.304 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@H]4c4ccccc4)cc3)CCC2)c1 1791532920 JCSDXABJFLMVBH-LOSJGSFVSA-N 435.527 5.110 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3occc3c2)[C@@H]1c1cccnc1 1802498182 MRMUPTDAEZHKSE-ISKFKSNPSA-N 445.563 5.140 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccsc3[nH]2)[nH]n1 1819309096 MKFHMRRTWJVXDC-VQIMIIECSA-N 437.569 5.027 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3ccoc3c2)n[nH]1 1821453851 GSPVBUZETJCXPL-HXUWFJFHSA-N 434.540 5.454 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(C)(C)C)oc2C)CC1 1825951656 VYUYPLACJOLLNB-PGRDOPGGSA-N 428.617 5.331 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sccc2OCC)CC1 1828823302 DOXBJKNJKQUWAP-RTWAWAEBSA-N 444.641 5.149 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCc2ccncc2)CC1 1829066201 UROVPEKUHCNZDF-XMMPIXPASA-N 439.644 5.016 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3sccn3c2)CC1 1829067469 LVGDRRBCURSAAU-OAQYLSRUSA-N 441.641 5.227 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccsc2)CC1 1829067832 YVNJURUEALFJNM-QFIPXVFZSA-N 430.658 5.293 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)C(C)(F)F)CC1 1829068369 SBRFPSMYVDINTD-LJQANCHMSA-N 426.592 5.280 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)cccc2F)CC1 1829068776 PRDBTJUKYHGJBX-NRFANRHFSA-N 432.555 5.191 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1831860885 CUDJGMZIOASFGP-GOSISDBHSA-N 443.802 5.456 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2ccc(N(C)C)cc2)c1 14872135 RWRIRKWKGDEUPN-UHFFFAOYSA-O 439.004 5.307 30 20 IKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1ccccc1)c1ccc(Cl)cc1 15247872 KGSZBPCXCRSEOV-UHFFFAOYSA-O 436.771 5.985 30 20 IKED C=CCNC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 29811268 WMNNEDUZTXQDMY-LJQANCHMSA-N 444.535 5.012 30 20 IKED C=CCOc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 64312721 OXHOSLYGGRHRRF-UHFFFAOYSA-N 443.528 5.106 30 20 IKED CCc1cccc(CC)c1-n1c(-c2cccnc2)nn(CN(CC)C[C@H](C)C#N)c1=S 110491966 IFGNELWNANWXTN-GOSISDBHSA-N 434.613 5.029 30 20 IKED O=C(NCc1ccc(F)cc1C(F)(F)F)c1cnn(-c2ccccc2F)c1C(F)(F)F 195593550 OIIVDJIRWXCKAH-UHFFFAOYSA-N 449.301 5.118 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](CCCO)c1ccccc1 303829791 HDJOESUTBNKYEQ-VWLOTQADSA-N 429.520 5.081 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@]1(CO)C[C@H]1c1ccc(F)cc1 429765309 ATGCTBMVCVMCML-OZXSUGGESA-N 445.494 5.086 30 20 IKED CCSc1cc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccn1 430180987 UEUYMHDRNPCAMH-UHFFFAOYSA-N 434.540 5.116 30 20 IKED CC(C)CCN1CCC(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 431401004 FXMQRFIPSNODFL-UHFFFAOYSA-N 448.611 5.211 30 20 IKED CN(C(=O)Cc1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1)c1ccccc1 432901526 IRRVSIAVFASCTM-VWLOTQADSA-N 440.547 5.449 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 433241383 BIGHCSABRFJKDC-UHFFFAOYSA-N 443.478 5.616 30 20 IKED N#CCCn1cc(CNCC2(c3ccc(F)cc3Cl)CCCC2)c(-c2ccncc2)n1 433344446 RPQGGLGCTZKAOQ-UHFFFAOYSA-N 437.950 5.253 30 20 IKED CC1(C)[C@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)[C@H]2CCCO[C@H]21 437962422 ZVDLTXMOCQKZJT-STZQEDGTSA-N 439.943 5.116 30 20 IKED Cc1ccnc(Oc2cc(N[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)ccc2C)c1 439613062 UXWMWOMWAWIBSZ-LJQANCHMSA-N 432.499 5.377 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c1 460341216 AVXYDNIPUVLTNW-QJMPUOCTSA-N 434.967 5.466 30 20 IKED COc1cc(C)c(Br)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 462564165 BPDOQYPTTDLSJS-UHFFFAOYSA-N 438.281 5.077 30 20 IKED Cc1nn(C)c(Sc2ccccc2)c1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 464397902 JYRABAZVKJLXGI-INIZCTEOSA-N 431.348 5.181 30 20 IKED N#C[C@@H](C(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccn1 464418531 RWMIDGBGHIALAU-CYBMUJFWSA-N 425.288 5.264 30 20 IKED N#C[C@@H](C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1cc(C(F)(F)F)ccn1 464421160 SMNAHXXVXFWWRP-QGZVFWFLSA-N 440.381 5.111 30 20 IKED N#CCSCCCSc1nc2ccccc2c(=O)n1-c1ccccc1C(F)(F)F 466615982 CKJCNXIZQGZJCH-UHFFFAOYSA-N 435.496 5.143 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCc1ncc(-c2ccc(Br)cc2)o1 467265348 VDKWRDNVYYMAOC-CQSZACIVSA-N 428.355 6.110 30 20 IKED C[C@@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C[C@H]1n1ccnc1 469512376 QUQCVQXIRDUOMM-ODOSVJCGSA-N 433.943 5.307 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(-c4ccccc4Cl)o3)ccc21 469951126 VNLFCWAURFBQNE-UHFFFAOYSA-N 433.895 5.435 30 20 IKED CCN(Cc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470539925 ONVJDFKOZYPBPZ-UHFFFAOYSA-N 440.547 5.477 30 20 IKED COC(=O)C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc2ccccc2c1 473682150 YYNHVQMCUJKFMJ-VGSWGCGISA-N 447.560 5.517 30 20 IKED C[C@@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1cccc(NC(=O)Cc2ccccc2F)c1 474906195 KPTTWFYLKGOXMZ-DENIHFKCSA-N 443.522 5.272 30 20 IKED C[C@@H](N[C@@H](c1ccc(F)cc1)c1cnn(C)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 480695442 JVROHDPVESJOFH-BLVKFPJESA-N 445.382 6.037 30 20 IKED CC(C)n1ncc2c1C[C@@H](NC(=O)c1cccc(Oc3cccc(Cl)c3C#N)c1)CC2 481150974 DANMYMGUYPQPSQ-SFHVURJKSA-N 434.927 5.069 30 20 IKED C=CCN(CCc1ccco1)C(=O)N[C@@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F 482298808 QOSMYXNSHKHXQY-NRFANRHFSA-N 446.473 5.126 30 20 IKED C[C@@H](c1c(F)cccc1F)N(C)C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482457992 UGYZMOYYDHGURV-MGPLVRAMSA-N 438.343 5.572 30 20 IKED N#CCCC[C@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 487272865 TUPQGFLHAQIEJJ-QFIPXVFZSA-N 428.492 5.372 30 20 IKED N#CCCC[C@@H](NC(=O)c1cc(I)ccc1Cl)c1ccccc1 487589328 CFLOWSCQOCAUBZ-QGZVFWFLSA-N 438.696 5.110 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(Br)s2)cc1 488013835 JVZBKBPMZUJITO-UHFFFAOYSA-N 429.314 5.364 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)Nc1c(C)cc(C)cc1C 489668740 CAGVZULMTCLDON-LJQANCHMSA-N 436.581 5.088 30 20 IKED C=CC[C@H](C(=O)Nc1c(Br)cc(F)cc1Br)c1ccccc1 490252699 SWQWINLKBDBROT-ZDUSSCGKSA-N 427.111 5.649 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1C 491566151 BKHZEHBTSJJPLC-UHFFFAOYSA-N 429.520 5.313 30 20 IKED COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1OCCCC#N 493885449 JJVSLSCFYRIJCI-XMMPIXPASA-N 447.922 5.802 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)N(Cc4ccc(C#N)cc4)C4CC4)cc3)o2)cc1 498954642 GJRSDURUCRWWCH-UHFFFAOYSA-N 434.499 5.389 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(-c2nccs2)c1 502680163 OEAIHBWPBJIXTJ-UHFFFAOYSA-N 446.345 5.932 30 20 IKED C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC(Oc2ccc(C#N)cc2)CC1 507859119 IIYAVBJNWXPURN-HNNXBMFYSA-N 442.441 5.231 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(n2ccc(C)n2)CC1 508463273 FOEODYGUFXIPQI-HXUWFJFHSA-N 442.567 5.104 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)c3nccs3)cc2)cc1 509227389 PVHZEODYAASJBE-QFIPXVFZSA-N 426.501 5.718 30 20 IKED C=CCN(c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1)C(=O)[C@H]1CC[C@H](C(C)C)CC1 509803152 MCBYRWUSFFTYRQ-UAPYVXQJSA-N 446.638 5.195 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C1(CC)CCN(C(=O)c2ccccc2)CC1 510380155 UCWWAQUTTQZNAC-UHFFFAOYSA-N 431.001 5.249 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 513383419 PZBGGCQPJMDNAW-HSZRJFAPSA-N 447.332 5.201 30 20 IKED C=CCN(C(=O)CSc1nc(C)nc2sc(C)c(C)c12)c1nc2c(s1)CCCC2 514596635 RGUAWJKTNGBARF-UHFFFAOYSA-N 444.651 5.263 30 20 IKED C=CCN(Cc1cccs1)C(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 515820464 LPXHIMUBBYYFAZ-UHFFFAOYSA-N 437.531 5.129 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1)c1ccccc1 518226902 KHARMZLTWKLFLK-UHFFFAOYSA-N 439.943 5.327 30 20 IKED C[C@@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 518668259 XXDWGJLIQYFAPK-PMACEKPBSA-N 445.588 5.956 30 20 IKED CCN(CC)C(=O)c1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 519989105 BHYZGBRVEWHORD-UHFFFAOYSA-N 442.519 5.154 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@H](Cc2ccccc2)c2cccs2)o1 522585051 AJGFUFYRSYUXIJ-OAQYLSRUSA-N 428.513 5.506 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 523658546 ZUWWODBCIFEQKL-UHFFFAOYSA-N 440.503 5.039 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2CCOc3c(Cl)cccc32)cc1 523877582 FMNWQOJWSZJGAH-HSZRJFAPSA-N 449.913 5.586 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)NC(c2cccs2)c2cccs2)CC1 524138971 MRKBOABTJRXJRV-UHFFFAOYSA-N 437.590 5.460 30 20 IKED COCCOc1c(Cl)cccc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 524501097 OZEPNQCYXBKFAZ-UHFFFAOYSA-N 436.895 5.068 30 20 IKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(Oc2ccc(F)cc2)CC1 524529198 YTLFTBXNMMEDRU-UHFFFAOYSA-N 435.339 5.547 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)N[C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 524657100 FPZUGEAIVMHKTI-VWLOTQADSA-N 445.950 5.554 30 20 IKED C[C@@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(OCc2cccnc2)cc1 525229132 NROWRFFZIMCPNS-OAHLLOKOSA-N 440.425 5.434 30 20 IKED CSCc1cc(F)ccc1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 531038785 NUZBQGFYMXYGPB-UHFFFAOYSA-N 449.551 5.655 30 20 IKED CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H](c1cccnc1)c1csc2ccccc12 538523383 VBYMGBASRDKEEN-VWLOTQADSA-N 437.568 6.103 30 20 IKED Cc1nc(-c2ccc([C@H](C)NCC(=O)N(CCC#N)c3cccc(Cl)c3)cc2)cs1 540377677 ZQKBIONQXDHGNW-INIZCTEOSA-N 438.984 5.369 30 20 IKED CSc1cccc([C@H](NC(=O)Nc2cc(C)n(CCC#N)n2)c2cc(F)ccc2F)c1 540814692 YKAOTRVWGZPTJX-NRFANRHFSA-N 441.507 5.016 30 20 IKED CC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(Cl)c1 541092908 QLVDTQCMEWVOGI-HNNXBMFYSA-N 432.911 5.720 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2ccc(Br)cc2Br)C2CC2)cc1 543286315 PHICCUYPJSYMMZ-UHFFFAOYSA-N 449.146 5.280 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2nc[nH]n2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 551773881 XTQJPHBKCOIBCP-OAHLLOKOSA-N 440.315 5.392 30 20 IKED N#Cc1ccc(CNc2cccc(C[S@](=O)Cc3ccccc3)c2)c(C(F)(F)F)c1 554972419 YBSISLOXXNUXJX-SSEXGKCCSA-N 428.479 5.638 30 20 IKED C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H]1c1nc2ccccc2s1 558458178 DHVJQDODKOLQCB-FQEVSTJZSA-N 438.560 5.631 30 20 IKED FC(F)CN1CCC(c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)CC1 564220080 GOOOJPKOATWGPI-UHFFFAOYSA-N 429.311 5.219 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(c2cccc(F)c2F)CC1 570746021 XFCDFBZRURUNEB-INIZCTEOSA-N 429.536 5.177 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3cc(Cl)cc(F)c3Br)cc2)ccn1 577669766 JIAWLBWGLXCLLZ-UHFFFAOYSA-N 446.663 5.553 30 20 IKED Cc1csc(NC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)c1C#N 578914046 IHNPPZZJZSYITO-UHFFFAOYSA-N 440.322 5.195 30 20 IKED C=CCn1c(SCc2nnc(C3CC3)n2C2CC2)nnc1-c1ccc(C(C)(C)C)cc1 579635493 WRGHUHBGJLXUOM-UHFFFAOYSA-N 434.613 5.525 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCCCc3nccs3)cc2Cl)c1 583964185 XMEJMSPGTNLMMG-UHFFFAOYSA-N 426.929 5.001 30 20 IKED Cc1ccc(-c2ncc(C(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)s2)c(C)c1 586828874 OECBKXQNHBZRNR-UHFFFAOYSA-N 435.524 5.121 30 20 IKED C=C(C)COc1cc(CNCc2cc(Br)ccc2OC(F)F)ccc1OC 591718121 GHBMRAICWFSQAO-UHFFFAOYSA-N 442.300 5.304 30 20 IKED O=C(NCCSCc1ccccc1F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 603685349 LPYPCAUAOPVXSD-STQMWFEESA-N 446.432 5.268 30 20 IKED COc1ccc(OC)c([C@@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1 603692870 PMFSQRSKRIIZKM-QFIPXVFZSA-N 444.491 5.132 30 20 IKED N#C[C@H](C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)c1nc2cc(Cl)ccc2s1 607008988 HYPQDNFWUUDZJW-CYBMUJFWSA-N 447.829 5.039 30 20 IKED C[C@H](CC(=O)c1ccccc1F)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 608110362 SICTZHGTGQIEAN-WOPDTQHZSA-N 427.360 5.060 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3CN3CCc4ccccc43)o2)cc1 609058514 ZBDACGXGVICZLP-UHFFFAOYSA-N 449.510 5.545 30 20 IKED Cc1[nH]c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(C)c1C(=O)OC(C)C 609110706 OZMKARNABSNMKM-UHFFFAOYSA-N 449.482 5.039 30 20 IKED N#C[C@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1c(Cl)cccc1Cl 609287097 NKISWXIBGGRVSF-IBGZPJMESA-N 439.302 5.632 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CCc3nc4cc(Cl)ccc4s3)cn2)c1 609326850 PFZJEJLOUBKBHH-UHFFFAOYSA-N 434.908 5.580 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)c(OC)c1 609434594 BAFLSMWQAPDTKD-UZLBHIALSA-N 425.554 5.467 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(F)cc3OCC(F)(F)F)c2)c1 609648103 OCMUSSHXBYRVLJ-UHFFFAOYSA-N 444.384 5.470 30 20 IKED N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)cc1 609757704 QZUMNSGIMYDINM-JOCHJYFZSA-N 444.984 5.175 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC[C@@H]1c1ccc(F)cc1 612804433 KOTSIQMWWKKDTF-XJKCOSOUSA-N 426.376 5.582 30 20 IKED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1ccc(Oc2ccccc2Cl)cc1 613125326 LCXUCRXSGUGSAF-UHFFFAOYSA-N 429.867 5.145 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCCC[C@H]3c3nc4ccccc4o3)cn2)c1 614137759 SFTZDZOEKXDFLO-NRFANRHFSA-N 439.475 5.646 30 20 IKED CC(C)(C#N)c1ccc(CNC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)cc1 614176661 KNCRJEMPEYRCIH-UHFFFAOYSA-N 440.587 5.862 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 618766188 IUUDXCVNERTKAF-IAGOWNOFSA-N 427.348 5.167 30 20 IKED Cc1nc(COc2ccccc2C(=O)Nc2cccc(C#Cc3ccccn3)c2)cs1 626615116 NLTLGFPMEFVZAJ-UHFFFAOYSA-N 425.513 5.078 30 20 IKED COc1cc2c(cc1F)CC[C@H]2NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 670108208 KMDKPJKIQKQCJU-OXJKWZBOSA-N 442.375 5.030 30 20 IKED C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 670203599 DEWCMNGDNAHHST-AUSIDOKSSA-N 441.535 5.056 30 20 IKED O=C(Nc1cc(F)ccc1OC(F)F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 675374364 VRBJWMCUKUNWFS-YUMQZZPRSA-N 438.290 5.458 30 20 IKED O=C(Nc1cc(Cl)c(F)c(Cl)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 683156196 FMFIIQZZVCSDSJ-BQBZGAKWSA-N 427.147 5.727 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCC(NC(=O)C4CCCC4)CC3)n2)cc1 726322219 RKNRBQYUWFQOLF-DQVLVPHSSA-N 435.593 5.160 30 20 IKED CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 727133288 KYWPKAIMTJKZNT-BJKOFHAPSA-N 441.531 5.547 30 20 IKED COc1ccc(CCCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 727633547 YVAZSFBVZKNDGX-JOCHJYFZSA-N 429.545 5.670 30 20 IKED CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 727988135 LBTYZNLQILTHDT-UHFFFAOYSA-N 428.410 5.411 30 20 IKED Cc1cc(C(=O)Nc2ccc(SCc3cccnc3)cc2)c(C)n1-c1ccc(C#N)cc1 728266169 LARVYRRLBAQPGL-UHFFFAOYSA-N 438.556 5.905 30 20 IKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCCCC#N)cc1 728777767 NXMNETAFZYDFIV-QFIPXVFZSA-N 448.592 5.464 30 20 IKED CCN(C(=O)/C=C/c1ccccc1C#N)[C@@H]1CCSc2ccc(Br)cc21 728845258 GHIIWXWEYXAXEF-QPGLYAHGSA-N 427.367 5.420 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N(C3CCC3)C2=O)c1 730461425 OLPYFPLPBZLNPA-HXUWFJFHSA-N 443.519 5.094 30 20 IKED O=C(/C=C/c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(C(F)(F)F)nc1O 731564591 LUDWPXMIEWFSPD-FNORWQNLSA-N 444.356 5.844 30 20 IKED Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 731639310 TXRWNGYGAJVIKA-LJQANCHMSA-N 443.286 5.281 30 20 IKED Fc1ccc(-c2nc(C=NNc3cc(C(F)(F)F)nc(-c4cccnc4)n3)cs2)cc1 733080579 RCWBOGITEFOHSD-UHFFFAOYSA-N 444.417 5.266 30 20 IKED CON=Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)cc1 733280057 RQKRCLKBBZJOHL-UHFFFAOYSA-N 433.361 5.264 30 20 IKED C[C@@H](Oc1ccc(F)cc1Cl)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 733685955 RMGFYVJBQZPWBA-PWSUYJOCSA-N 436.842 5.525 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(CCc2ccccc2)Cc2ccc(C)s2)c1 733851677 GZGWUKMTPOTREU-HSZRJFAPSA-N 447.604 5.692 30 20 IKED C=CC[C@@H](NC(=O)N[C@H](C)c1ccc(OCc2ccccc2)c(OC)c1)c1ccncc1 734659388 BDEHBRFFLSFXIN-AUSIDOKSSA-N 431.536 5.347 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)c1 735115101 TVQHQFFVTXNJEG-RUZDIDTESA-N 446.934 5.590 30 20 IKED N#Cc1ccccc1COc1cccc(CNc2ccc(OCC3CCOCC3)cc2)c1 736652089 UQEMUEGEJAQPGM-UHFFFAOYSA-N 428.532 5.555 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2CCSC[C@@H]2c2ccc(Cl)cc2)c1=S 738253121 DUMXVRDJLDEUMG-LJQANCHMSA-N 444.029 5.063 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F 741430049 INNVJQFTAOGKFC-IPMKNSEASA-N 444.453 5.161 30 20 IKED COc1ccc(Br)cc1S[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 741476850 URLAOOJIHGWKTR-HNNXBMFYSA-N 433.371 5.194 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)ccc1OC 741929681 NEXAUEBWVQDATO-CEXWTWQISA-N 433.335 5.103 30 20 IKED C=CCn1c(SC[C@@H](O)c2ccccc2C)nnc1-c1ccc(Br)cc1 743253987 YKHYBOQXGUBEOV-GOSISDBHSA-N 430.371 5.028 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc(COCc3ccccc3)cc2)cc1 743481334 YWEIPBYKTLXFLA-JOCHJYFZSA-N 427.548 5.459 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc2ccccc2s1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 744016590 OYGPFPLYZXFHCZ-KNBMTAEXSA-N 435.549 5.375 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)/C=C/c1cnc(C(C)(C)C)s1 744353760 DKHJDRFNOJSKEA-VOTSOKGWSA-N 435.343 5.092 30 20 IKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3ccncc3Cl)c2C#N)C1 745769225 KHTLRDGTJCETJX-CYBMUJFWSA-N 445.972 5.005 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)cc1 747375333 DULBXLSPZIOVJA-RJGXRXQPSA-N 431.333 5.847 30 20 IKED CCn1nc(C)cc1C(=O)N1C[C@H](c2ccc([N+](=O)[O-])cc2)SC1=Nc1ccccc1C 751061194 CIBDPBMNAXVGHM-OAQYLSRUSA-N 449.536 5.046 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1 752680619 YMGXSOBSDVCJBD-NQIIRXRSSA-N 435.549 5.442 30 20 IKED Cc1c(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)cccc1-c1ccccn1 755016083 QMTOTJSAZXUDHJ-QGZVFWFLSA-N 445.544 5.104 30 20 IKED CN(CC(=O)[C@@H](C#N)c1nc2ccccc2s1)Cc1cc(Br)ccc1Cl 755206237 LSYHNMLPPZETBH-CQSZACIVSA-N 448.773 5.020 30 20 IKED CC(=O)Nc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc(C(F)(F)F)c1 760365758 QQKRIAKIALOZNP-JOCHJYFZSA-N 437.421 5.572 30 20 IKED Cc1ccc(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c(OCc2ccccc2)c1 761837668 SWVBSUALAIZFOJ-RUZDIDTESA-N 427.504 5.051 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)c3ccccc3OCc3ccccc3Cl)CCO2)c1 762310619 RNWSHIDUGUEMQO-DEOSSOPVSA-N 432.907 5.004 30 20 IKED O=C1/C(=C\c2cncc(Br)c2)CCC/C1=C\c1cncc(Br)c1 767340992 LXXDBIJAQBDIOH-YHKLRMRPSA-N 434.131 5.222 30 20 IKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2cnc(C3CCCC3)s2)cc1 767764224 XBOUZAIQYSNYEF-UHFFFAOYSA-N 427.599 5.266 30 20 IKED CN(C(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1)c1cccc(C#N)c1 772078553 BLCSBQFXVMJIBG-UHFFFAOYSA-N 442.700 5.438 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1)c1ccccc1 772540757 HIRZQQIJRYAHFV-QHCPKHFHSA-N 445.588 5.073 30 20 IKED N#Cc1ccc(/C=C(\Cl)c2nc(=O)c3sc(-c4ccc(F)cc4)cc3[nH]2)c(F)c1 772797877 QQSXUHTWGWFJLM-NVNXTCNLSA-N 425.847 5.538 30 20 IKED COCCOc1cccc(F)c1C(=O)/C=C/c1nc2ccc(Br)cc2s1 773137913 CAWDHXKUWIYUFN-BQYQJAHWSA-N 436.302 5.119 30 20 IKED N#Cc1cc(NC(=O)c2cccc(Oc3ccc(Cl)cc3)c2)ccc1N1CCC(O)CC1 777989412 NPHJIYXYIBNKEE-UHFFFAOYSA-N 447.922 5.217 30 20 IKED COc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccccc1SCc1ccc(C#N)cc1 779188784 ZUCXOFBHLVQLCU-KRWDZBQOSA-N 446.528 5.043 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)c1 781446812 DCRMUFDJCIXABV-INIZCTEOSA-N 428.366 5.115 30 20 IKED CC(C)(C)CC(=O)N1CCC(Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 781528967 FFHRRQBXDXLTBT-UHFFFAOYSA-N 439.987 5.630 30 20 IKED N#CCCCOc1cccc(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1 783306905 PKWYWPMLJHKLLU-UHFFFAOYSA-N 427.464 5.362 30 20 IKED CC(=NOCc1cc(-c2ccccc2)on1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 784048709 CZZCQUPCAYPWQT-UHFFFAOYSA-N 441.413 5.190 30 20 IKED O=C(O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cnn(CCC(F)(F)F)c1 784063802 AWNIVBXBNJSIQS-LBPRGKRZSA-N 434.258 5.315 30 20 IKED CC[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(C)(C)c1ccccc1 784980179 GFKSOAJDTCPJNV-LOSJGSFVSA-N 439.559 5.153 30 20 IKED N#C[C@@H](C(=O)CCCSc1ccc(Br)cc1)c1cnc2ccccc2n1 792113048 CHWDQBBLMJMKPH-MRXNPFEDSA-N 426.339 5.141 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c(=O)oc2ccc(Br)cc12 797572314 XLNGVVWKYXWXKR-ZDUSSCGKSA-N 445.338 5.108 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2-c2csc(C)n2)ccc1OC 797668232 NSMFWRPRVRQZSY-KRWDZBQOSA-N 436.537 5.130 30 20 IKED Cc1ccc(N2CCOCC2)cc1NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 797694733 VQQXBGWMWOGTNO-HXUWFJFHSA-N 440.547 5.253 30 20 IKED C=CC[C@@H](NC(=O)N(C)Cc1cccc(OC)c1OCc1ccccc1F)c1ccncc1 802171050 CWPFNUGEVIJAHL-HSZRJFAPSA-N 449.526 5.267 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3C[C@H](c4ccccc4)[C@H]4COCC[C@@H]43)c2)s1 806842029 FKFXNJZABDBXDL-SMIHKQSGSA-N 443.572 5.001 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CCOc2c1ccc(Cl)c2Cl 807174942 SHBKLVAYWGBLGH-GOSISDBHSA-N 437.371 5.382 30 20 IKED CC(=O)N(c1ccc(NCc2cccc(OCc3ccccc3C#N)c2)cc1)[C@H]1C[C@@H]1C 815164411 QQLGWFXLZCIPLQ-PPHZAIPVSA-N 425.532 5.511 30 20 IKED CN(Cc1cccc(C#N)c1)Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccco2)c1=S 914783162 IUAPFBGZINJDBT-UHFFFAOYSA-N 449.967 5.337 30 20 IKED CC(=O)N[C@@H](CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc(C)cc1 915105146 ZCGGXMGTUPFRGW-IRXDYDNUSA-N 445.466 5.067 30 20 IKED CC[C@H](C)c1ccc(N=C2NC(=O)[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)S2)cc1 916232658 LGEKJOFCPKRZJL-KPZWWZAWSA-N 433.936 5.241 30 20 IKED N#C[C@@H](C(=O)CCSc1ccccc1F)C(=O)Nc1ccccc1Oc1ccccc1 916908612 NHOSFXGTYVVWFV-SFHVURJKSA-N 434.492 5.448 30 20 IKED N#C[C@H](C(=O)CCCc1ncc(-c2ccccc2)o1)C(=O)Nc1ccc(Cl)cc1Cl 916931423 KQEPUPOPLWLVGW-MRXNPFEDSA-N 442.302 5.319 30 20 IKED CC(C)Cn1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c2ccccc21 916931433 KWKQZSBDIDYGJE-INIZCTEOSA-N 428.319 5.565 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCC(=O)c2ccc3ccccc3c2)cc1 916954491 IIRAGUOMNCRRMQ-KOSHJBKYSA-N 426.516 5.664 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 917047133 RQJPDZUKTWOKLX-MRXNPFEDSA-N 441.940 5.716 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(N3CCCC3=O)cc2)cs1 917560360 WQZAGPWHKNPMCV-ZROIWOOFSA-N 445.544 5.159 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 918034511 RMDKBKKVMGEEPY-OZXSUGGESA-N 439.515 5.386 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1 919904812 UHMGUBIZPQNBRZ-RUZDIDTESA-N 443.522 5.351 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3c(Cl)cccc3OC)CCC2)cc1 1786680239 UFLZWKYJHRKLDP-UHFFFAOYSA-N 444.984 5.016 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)cc3OC)cc2)CCC1 1790232929 HUEGKGJSDJJSBG-UHFFFAOYSA-N 448.563 5.220 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCc3cccc(Cl)c31)C2 1798593604 VODFZTHQVYBOFA-YRPNKDGESA-N 429.004 5.000 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(F)c2C)CC1 1824137382 HSVGXGVIERVAHV-XMMPIXPASA-N 426.576 5.136 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc(C(F)F)c2)CC1 1825404154 DZKWEWNIAGHYNP-IRLDBZIGSA-N 445.554 5.021 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)Oc2ccccc2)CC1 1831531619 FHEHKLCCLSUHKT-URXFXBBRSA-N 440.628 5.066 30 20 IKED Cc1cccc(Nc2nnc(S[C@H](C)C(=O)N(CCC#N)c3ccccc3)s2)c1C 10211185 RVBVWJKSVOSTTK-QGZVFWFLSA-N 437.594 5.326 30 20 IKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2cccc(C)c2)c1C 28793629 BUVMWPZUCMSUIT-UHFFFAOYSA-O 440.976 5.134 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1ccoc1C 36802892 CIAXQPRMYSZLRT-UHFFFAOYSA-N 444.560 5.354 30 20 IKED C[C@@H](NC(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1)c1ccc(C#N)cc1 61722309 SFNVNMKUNPGOLA-OAQYLSRUSA-N 438.575 5.381 30 20 IKED COc1ccc([C@@H](NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c2ccc(F)cc2)cc1 72028716 QHXKZPICGURMOC-DEOSSOPVSA-N 449.551 5.024 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1cc(Cl)ccc1Cl 97543309 APKAUHBQKSHMPJ-OAHLLOKOSA-N 440.330 5.883 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Oc2ccc(C3SCCS3)cc2OC)cc1OC 209606979 BESXEPGNDUKNCI-POHAHGRESA-N 444.574 5.366 30 20 IKED C[C@@H](N/C(N)=N/Cc1ccc(NC(=O)c2ccco2)cc1)c1ccc(Cl)cc1Cl 303771058 CHUNLYPQYVGLEF-CYBMUJFWSA-N 431.323 5.004 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)CCCC2(C#N)CCOCC2)cc1C 410308114 KKKQEDKTQQQFQA-UHFFFAOYSA-N 442.607 5.689 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1 431978283 VTTFUXQATMCIQS-CJFMBICVSA-N 427.548 6.158 30 20 IKED N#CCc1cccc(C(=O)Nc2c(-c3ccccc3)nc3ccc(Br)cn23)c1 432985548 QXFUNFKPPDPJGP-UHFFFAOYSA-N 431.293 5.082 30 20 IKED Cc1cc(Br)ccc1CN(C)C(=O)Nc1ccccc1SC[C@@H](C)C#N 434159771 NFAOVALTFZYVNL-AWEZNQCLSA-N 432.387 5.673 30 20 IKED CC(C)(C)c1nc2ccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2s1 438628108 ASUWYLUCKPHHND-UHFFFAOYSA-N 434.565 5.541 30 20 IKED C[C@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1cccc(OC(F)(F)F)c1 441423454 SIXJMCBCVWRXFF-VIFPVBQESA-N 438.290 5.173 30 20 IKED CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)C1 460331234 QFJCZOGNKVCFCO-RXVVDRJESA-N 437.971 5.030 30 20 IKED CN1CCC[C@@H](CNCc2cccc(OCc3cccc(C#N)c3)c2)[C@H]1c1cccs1 462731359 NBYWRELSGGPEJI-OZXSUGGESA-N 431.605 5.371 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3SCCc4sccc43)cc2Cl)c1 463479640 CCDOOLRCXDRVSK-OAQYLSRUSA-N 440.977 5.821 30 20 IKED CC(C)c1c(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cnn1-c1ccc(Cl)cc1 464406295 DAQRAEYKWRUBRN-INIZCTEOSA-N 432.833 5.553 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cc(C(C)C)nn2-c2ncccn2)cc1 464970405 DKTDMSPUVMUTRR-UHFFFAOYSA-N 438.491 5.010 30 20 IKED C[C@H](NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1ccc(OCC(F)(F)F)cc1 465733684 XYORCIFTRCELAW-DQLDELGASA-N 431.458 5.170 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(F)c(Br)cc1Cl 475760005 RQIAIBQKSFLDCI-JTQLQIEISA-N 427.726 5.746 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O 476081933 AUMJRBVQDVWDHO-HXUWFJFHSA-N 439.943 5.036 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(CSC2CCOCC2)c1 476144928 JAXXAPMVZJISIO-UHFFFAOYSA-N 442.629 5.486 30 20 IKED N#CCC[C@@H](NC(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1)c1ccccc1 477221874 LICZTZIWCIUAFN-UXHICEINSA-N 430.321 5.384 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@@H](C)c2ccc3ccccc3c2)nnc1-c1ccncc1 481363167 YBAPDXRPZKYDBQ-SFHVURJKSA-N 443.576 5.039 30 20 IKED CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](CCCC#N)c2ccccc2)c1 487221784 TWWAOGHAJWRKKA-FQEVSTJZSA-N 426.948 5.425 30 20 IKED CC(C)n1ncc(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1-c1ccccc1 488902272 VLHCEWCFNJEEKI-UHFFFAOYSA-N 430.899 5.094 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)nnc1-c1ccc(C)cc1 489661124 PLEHHOMOAFIQSO-MJGOQNOKSA-N 438.622 5.345 30 20 IKED CN(C)CCCOc1ccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 491646722 JZEPHEMLVKSODJ-UHFFFAOYSA-N 444.535 5.003 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](Cc1ccccc1)c1cccs1 493573855 QWIMMZRPWRSAQU-YLJYHZDGSA-N 449.601 5.181 30 20 IKED N#C[C@@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1cccc(Br)c1 496309492 ZWGIVRQSYALCJW-HXUWFJFHSA-N 449.308 5.088 30 20 IKED CN(CC(C)(C)C#N)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 497298715 ZRSWQIXVRLTLGK-SFQUDFHCSA-N 434.521 5.143 30 20 IKED CC(C)[C@H](c1ccccc1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 497461382 ALMAIVFPTJNKPR-AREMUKBSSA-N 427.548 6.193 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccco2)nc2onc(CCC)c12 499042601 GNKZZOFKHBGPBW-UHFFFAOYSA-N 426.476 5.135 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)cc1 499686884 WVSVAOCBPGXXLL-JOCHJYFZSA-N 437.446 5.031 30 20 IKED C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)o1 500643048 BCHPPSWJPRWGII-UZKJWJASSA-N 426.516 5.467 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 503499197 RHCKCFHBJYCECT-AWEZNQCLSA-N 438.380 5.414 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@]1(Cc2ccc(Cl)cc2)CCOC1 505325983 QZNCKMXXGWLGCC-AOMKIAJQSA-N 429.973 5.258 30 20 IKED COc1ccc(OCCCC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 505623750 XHLGJQYVGDVQFS-UHFFFAOYSA-N 432.476 5.165 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCCOc3ccc(F)cc32)cc1 507485426 MGLXOMONWKHSOR-JOCHJYFZSA-N 432.520 5.633 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(OC3CCCC3)c(OC)c2)cc1 508158034 GIZFGLHSZNLQSC-UHFFFAOYSA-N 434.536 5.083 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(OC2CCCCC2)CC1 508486570 CEKGQUYEBBJDOB-ZEQRLZLVSA-N 436.600 5.027 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C2(c3cccc(Cl)c3)CCOCC2)cc1 509670062 IQBOUJQXDQLXDF-UHFFFAOYSA-N 432.907 5.691 30 20 IKED CN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510055069 LAANQMRKDTXRMV-CTNGQTDRSA-N 447.922 5.299 30 20 IKED C[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1cc(Cl)ccc1Cl 515756122 LXJZVJUDCMEVAU-HNNXBMFYSA-N 440.330 5.883 30 20 IKED C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 517626919 MKVGXUHQOMEKBA-UYAOXDASSA-N 429.549 5.092 30 20 IKED Cc1nc(-c2ccc([C@@H](C)NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cc2)cs1 517656033 LOKVTMHPDDDNLA-MRXNPFEDSA-N 440.528 5.669 30 20 IKED CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCC(=O)N(CCC#N)c1ccccc1 518310092 UEPLQFBVFVEVDB-UHFFFAOYSA-N 446.378 5.457 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)cc2)nc1 518385844 BRZDMJPHOWKRKU-OAQYLSRUSA-N 438.314 6.030 30 20 IKED CC(C)n1cnnc1C1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 518950688 YMILBDGMDZJASR-UHFFFAOYSA-N 445.592 5.043 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1Cl 519107095 RCNNJKSVDCBGCI-GOSISDBHSA-N 431.839 5.032 30 20 IKED N#C[C@@H](NC(=O)CCCc1ccc(Br)s1)c1cccc(Cl)c1Cl 519485427 ZPLGUGSUWPFWMF-CYBMUJFWSA-N 432.170 5.521 30 20 IKED Cc1ccc(C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)cc1Oc1ccncc1 530877680 OBYFUKSOUOBGGL-LJQANCHMSA-N 427.382 5.076 30 20 IKED C[C@@H](N[C@H]1CCCc2nc(-c3ccccc3Br)sc21)c1ccc(C#N)cc1 531695849 NBHBJFONBNBKAU-KUHUBIRLSA-N 438.394 6.172 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1 534870944 QDFQMBRKZUPTOL-HXUWFJFHSA-N 426.516 5.367 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 534904171 ORSFOVXVOTXOFI-OALUTQOASA-N 428.557 5.912 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)c1ncccc1C(F)(F)F 536112119 JAEZDKXLNOPISP-UHFFFAOYSA-N 448.310 6.026 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnc(-c3cccnc3)s2)cc1Cl 536428665 ZIAKILADZCTGMT-LJQANCHMSA-N 430.920 5.766 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)c2ccc(C3(C#N)CC3)cc2)nc1-c1ccccc1 537471059 ILZTZHLBLKBULZ-JOCHJYFZSA-N 425.532 5.997 30 20 IKED Cc1cccc(C)c1-n1c(SCCCC2(C#N)CCOCC2)nc2ccccc2c1=O 539670144 UZHSLNQFCAZAOE-UHFFFAOYSA-N 433.577 5.195 30 20 IKED CN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 542589754 GOJWZHVORHPPSC-OZXSUGGESA-N 444.506 5.676 30 20 IKED Cc1ccc(C2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CC2)cn1 543037309 YRGKRPLOVBFSOQ-UHFFFAOYSA-N 430.483 5.605 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 543598394 ZSAWDDDQQQMYQU-ZEQKJWHPSA-N 444.506 5.790 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1 544296603 HYDCFSNYXWAYAK-LJQANCHMSA-N 425.532 5.669 30 20 IKED CC(C)CN(C(=O)c1ccc(C#N)c(Cl)c1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 548286701 BCLIQWGCEPLLOE-UHFFFAOYSA-N 440.912 5.546 30 20 IKED C=CCOc1ccc(CNC(=O)NCc2cc(-c3c(OC)ccc4ccccc34)no2)cc1 554026729 MCBHCOHSZPWYJJ-UHFFFAOYSA-N 443.503 5.068 30 20 IKED C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 556930675 KZTIRGVYZFYLNI-AWEZNQCLSA-N 446.353 5.366 30 20 IKED COCCC[C@H](CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccc(Cl)cc1 558104873 LQQLRVHBRUZXAK-NHTMILBNSA-N 439.987 5.332 30 20 IKED COc1ccccc1SC[C@@H](C)CNC(=O)Nc1ccccc1S[C@@H](C)CC#N 561408731 SVCRTTRXCHJBJT-IRXDYDNUSA-N 429.611 5.639 30 20 IKED CN1[C@H]2CC[C@H]1CC([C@@H](NC(=O)c1ccc(C3(C#N)CC3)cc1)c1ccc(Cl)cc1)C2 566574192 XOTUBOKSBNABJG-HJOGWXRNSA-N 433.983 5.239 30 20 IKED C[C@H](NCC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccc(Oc2cccnc2)cc1 572280254 OGUSQKZNBYICRO-SFHVURJKSA-N 434.927 5.125 30 20 IKED C[C@](C#N)(NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)C1CCCCC1 572673724 LXEZZFBQVYXEBW-WIOPSUGQSA-N 437.971 5.180 30 20 IKED Cc1ccccc1-n1ncc(C(=O)Nc2ccc(C#N)c(Br)c2)c1C(F)(F)F 575159120 NVRVILXDYRSMJZ-UHFFFAOYSA-N 449.230 5.086 30 20 IKED N#CCCn1ncc(C(=O)Nc2cc(F)c(Br)c(Cl)c2)c1-c1ccccc1 578780810 LNKFTPWQHRHYTR-UHFFFAOYSA-N 447.695 5.271 30 20 IKED CCn1cc(Br)cc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 588739104 WAOPMYRYKSYGSF-NSHDSACASA-N 442.260 5.389 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1Cl 603759188 XAQPGTPEMKEYRH-QFIPXVFZSA-N 429.907 5.596 30 20 IKED Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccccc1Sc1ccccc1C#N 603772664 SVWQYLYAQAUQGK-UHFFFAOYSA-N 427.529 5.162 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)COc2ccc(Cl)c(Cl)c2)cc1 604003840 YVTMTNLKVLAJAR-UHFFFAOYSA-N 441.314 5.656 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)C3CCN(Cc4ccccc4)CC3)c2)cc1 604384894 ZCNCEWZTUQUEOZ-UHFFFAOYSA-N 439.559 5.182 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 604621542 IAVYSANIWBRLSB-CYBMUJFWSA-N 435.343 5.264 30 20 IKED O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 607185939 XHKDMTYWBZFXKX-MPXOCVNLSA-N 432.767 5.107 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 609080933 BGFHMHNQTPNGEI-UHFFFAOYSA-N 428.464 5.181 30 20 IKED Cn1ccnc1[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1F 609209016 PJRHZJFSJMASPG-HSZRJFAPSA-N 441.466 5.134 30 20 IKED CCOc1ccc(-c2nc(CC(=O)Nc3ccccc3SC[C@@H](C)C#N)cs2)cc1 609376849 KXFWVSRCJRMXDY-INIZCTEOSA-N 437.590 5.642 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c12 609378103 RQTBVGJWQMXUNE-HNNXBMFYSA-N 447.608 5.876 30 20 IKED CC(C)Oc1ccc(S(=O)(=O)Nc2ccccc2SCCC#N)c2ccccc12 609379867 OVBYDIWJMQABFS-UHFFFAOYSA-N 426.563 5.434 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](COc1ccccc1)c1ccccc1 609401910 JVFBQTPENGBUMN-CVDCTZTESA-N 431.561 5.880 30 20 IKED CN(C(=O)c1ccc(Oc2cccc(Br)c2)cc1)c1ccc(C#N)cc1F 609566431 BZMJENSYNQLYPZ-UHFFFAOYSA-N 425.257 5.529 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)c1 609723280 ZYIJXPLENIZWIC-FPOVZHCZSA-N 442.968 5.131 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CCc1nc(O)c2ccccc2n1 610231074 PCMQNIXDMBKJIZ-UHFFFAOYSA-N 442.906 5.026 30 20 IKED Cc1ccccc1[C@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CCO1 610323880 UQJKXQAMRIACIM-RUZDIDTESA-N 445.494 5.190 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](COc2ccccc2Cl)C1 611095366 VJAHDEWOBYLIAH-MSOLQXFVSA-N 444.000 6.057 30 20 IKED N#C[C@@H](C(=O)c1ccccc1OC(F)F)c1nc(-c2ccc(Cl)cc2Cl)cs1 613347076 WQFPLHDCVZNYLL-ZDUSSCGKSA-N 439.270 6.208 30 20 IKED C=CCOc1ccc(C(=O)N2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1 613717965 KRMCOIMUYXMVOW-FQEVSTJZSA-N 433.335 5.192 30 20 IKED O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674550848 VCHVWBYKSGPXJO-RKDXNWHRSA-N 428.682 5.563 30 20 IKED C=CCn1c(SCc2nnc(CC)s2)nc2scc(-c3ccccc3)c2c1=O 680018746 WKWGLIKREYUQEU-UHFFFAOYSA-N 426.592 5.017 30 20 IKED COc1ccc(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccc12 731062651 GFDDFJWMRSUZRY-MRXNPFEDSA-N 434.517 5.038 30 20 IKED O=C(/C=C\c1ccc(-c2ccc(Br)cc2)o1)c1ccc(C(F)(F)F)nc1O 731565010 XRGULUXKHLXGMN-YVMONPNESA-N 438.199 5.725 30 20 IKED Cc1cc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)c(C)n1[C@H](C)c1ccccc1 731645791 SOMAJHONWXSECB-ZHRRBRCNSA-N 425.454 5.728 30 20 IKED C#CCN(C(=S)Nc1cc(C)ccc1C)[C@H]1CCOc2ccc(Br)cc21 733086577 LFKYZYABDSLGSU-IBGZPJMESA-N 429.383 5.222 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2csc(-c3ccccc3Cl)n2)ccc1OC 733229809 HLGSHLHNVZHNEN-HNNXBMFYSA-N 441.940 5.083 30 20 IKED C=CC[C@H](NC(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1)c1ccncc1 734683718 PEAQXUWFWSCVQF-VWLOTQADSA-N 431.536 5.128 30 20 IKED COC(=O)NCc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 735259170 YDJSBMPZBNAMQZ-UHFFFAOYSA-N 435.867 5.112 30 20 IKED CCO[C@H](C)c1nc(COC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cs1 736818492 IHQLKSHDNSOJMI-CQSZACIVSA-N 426.469 5.401 30 20 IKED Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)/C=C\c1ccccc1C#N 741740895 XPMPPLMOKYASFR-KAMYIIQDSA-N 438.506 6.255 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\Oc3cc(Cl)cc(Cl)c3C2=O)cs1 742437123 QVGSNRFFRRKJJH-NVMNQCDNSA-N 445.327 6.059 30 20 IKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCCC(F)(F)F)c1 743731071 KNKSUPIWONAJLR-SFHVURJKSA-N 449.498 5.298 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)s2)c(C)c1 746416830 QEKDRQGFSXZCIL-IBGZPJMESA-N 427.529 5.730 30 20 IKED N#Cc1cc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c(Cl)c([N+](=O)[O-])c1 746485415 UXBMXACQIDBPNB-UHFFFAOYSA-N 435.050 5.098 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3CSC3=NCCS3)cn2)cc1 747359723 DMNQEEMNKDFSSV-UHFFFAOYSA-N 446.557 5.334 30 20 IKED CCN(Cc1cccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)c1)C(=O)OC(C)(C)C 748609940 FMNAKCKQFUCQRI-QFIPXVFZSA-N 436.556 5.610 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCCCC[C@H]3C[C@H](O)c3ccccc3)o2)cc1 752109580 BJPBPBYOGKXSGR-DHLKQENFSA-N 444.531 5.239 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1C#N 752199344 GIQHBFDITJNJCF-UHFFFAOYSA-N 438.871 5.006 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@H]2c2ccc(Cl)cc2)cc1 752213614 URSURPVBVNRSCB-DEOSSOPVSA-N 431.923 5.964 30 20 IKED COc1cc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)c(OC)cc1O 763107734 WZNBBWDZGAXTQM-ZHACJKMWSA-N 437.879 5.211 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccc(N(CC)C(C)C)cc2)nnc1-c1ccco1 764661068 BDSLBWKVQXRZSR-UHFFFAOYSA-N 439.585 5.080 30 20 IKED CCCCN(C)c1ccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 770095345 BRMOGKBSAZWUCU-SFHVURJKSA-N 434.565 5.002 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnc(Cc3ccccc3F)s2)cc1 773977134 MGORIWJBJQBVJK-BEFAXECRSA-N 435.524 5.348 30 20 IKED Cc1cc(-c2cc(C(=O)OC[C@@H](C#N)Cc3cccs3)c3cnn(C(C)C)c3n2)c(C)o1 777339686 NHTICXFKHPBTQD-QGZVFWFLSA-N 448.548 5.490 30 20 IKED CC(=O)N(c1nc(C=NNc2ccc(C#N)c(Cl)c2)cs1)c1ccc(F)cc1F 783881491 ZYYFIZZUGOXFAX-UHFFFAOYSA-N 431.855 5.077 30 20 IKED N#C[C@H](C(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1)c1nc2cc(F)ccc2s1 784507203 RTGOMSSWPJLQKI-OAHLLOKOSA-N 434.414 5.533 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)cc1 786928923 HARYDRDAMZAHHA-VGSWGCGISA-N 449.551 5.186 30 20 IKED COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2S[C@@H](C)CCC#N)cc1Cl 787489268 RECGJWZVLBKINW-VLURKWGBSA-N 431.970 5.579 30 20 IKED N#C[C@@H](C(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1)c1cnc2ccccc2n1 792101737 UCPDBOCCYTZWJW-OSPHWJPCSA-N 431.467 5.618 30 20 IKED N#Cc1ccc(NC(=S)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)cc1Cl 795017911 CYNTZXGCKWPSAV-UHFFFAOYSA-N 438.887 6.163 30 20 IKED CC(C)[C@@H](OC(=O)C[C@H](CC#N)c1ccccc1)C(=O)Nc1ccccc1C(F)(F)F 795981808 FHPYTHSKBDGDNO-LAUBAEHRSA-N 432.442 5.299 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)[nH]c12 796719447 LSSOCHXBDMFIPC-GOSISDBHSA-N 430.508 5.049 30 20 IKED CC(C)c1ccc2occ(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2c1 805853008 DRIRIXYNPYSHMV-KRWDZBQOSA-N 428.460 5.832 30 20 IKED C[C@H](Cc1cncc2ccccc12)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 805867555 KXKANIAUZPGUDC-KDOFPFPSSA-N 433.483 5.692 30 20 IKED N#C[C@H](C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1cc(C(F)(F)F)ccn1 813212342 BRAOPNIHDFMJAD-PZJWPPBQSA-N 436.389 5.045 30 20 IKED Cc1nc(Cc2ccccc2)sc1[C@H](C)OC(=O)c1cnc(C(F)(F)F)c(C#N)c1 815958538 HPKUEUURYAYYGN-ZDUSSCGKSA-N 431.439 5.246 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(Cc3cccc(F)c3)CC2)cc1 916678882 CVDXRYKROQTLCU-AREMUKBSSA-N 427.523 5.968 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)c2C#N)C1 916828307 TXQYMBJJCOCDBY-IVZQSRNASA-N 442.540 5.451 30 20 IKED COc1ccc(S[C@@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916907848 XUJDJBHLGHVVTA-LAUBAEHRSA-N 446.528 5.316 30 20 IKED Cc1ccc(SCc2cccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)c2)c(C)c1 916908353 HFUCXVZIUODWRG-HXUWFJFHSA-N 448.975 6.210 30 20 IKED N#Cc1ccc(CSCC(=O)OCc2csc(Cc3ccc(Cl)cc3)n2)cc1 917262892 GRDYRYLRWIZUSN-UHFFFAOYSA-N 428.966 5.236 30 20 IKED COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2Cl)ccc1OCC#N 917502396 WXAHKEYLYNHWMX-JOCHJYFZSA-N 437.858 5.161 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/C(=O)c3c(O)ccc(F)c3[C@H]2C)cs1 917560269 UNDXWNHWTOIFES-UJFYRASASA-N 442.899 5.709 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\CSc3c(F)cccc3C2=O)cs1 917560339 VYAZFAOYFQTSJC-UKTHLTGXSA-N 444.940 5.992 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 919966012 SYMSWTJWEGFRHB-QFIPXVFZSA-N 446.432 5.799 30 20 IKED N#C[C@H](C(=O)CSc1ncnc2scc(-c3ccccc3)c12)c1nc2ccccc2o1 920112795 JHGTUMBGRCZKHJ-OAHLLOKOSA-N 442.525 5.468 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc4[nH]ccc4s3)cc2)CCC1)C(F)(F)F 1789104797 WEBPJYARIGSLQY-UHFFFAOYSA-N 433.455 5.096 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)CC3CCC(C)(C)CC3)cc2)CCC1 1790569522 OWADTGWJPNQCQW-UHFFFAOYSA-N 440.628 5.710 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(F)ccc3s1)C2 1798334813 LSFYWMIVQQOYOZ-YRPNKDGESA-N 426.557 5.061 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cc(-c4ccccc4)on3)C2)CC1 1804732000 KVIHQFYYNGGAJG-UHFFFAOYSA-N 449.595 5.179 30 20 IKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)c(Cl)c2)CC1 1823911262 WVTYERPGQUJCSK-QHCPKHFHSA-N 429.004 5.075 30 20 IKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1824249027 MQTWBEROJBMDBZ-UPVQGACJSA-N 431.020 5.275 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(Cl)s2)CC1 1828821705 QCBVSAHXANWRTG-LEWJYISDSA-N 449.060 5.332 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C3CCCC3)CC2)c1 1830351407 MBWUQGNNPWGSGJ-KKNAPESVSA-N 447.623 5.293 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3[nH]c(C)cc3c2)CC1 1831034836 LQZNFBNCUOMGTB-RUZDIDTESA-N 449.639 5.702 30 20 IKED N#Cc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(Br)ccc1-2 1857791403 XUWOIUJVDWXZJH-UHFFFAOYSA-N 436.308 6.790 30 20 IKED C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)N(CCC#N)c1ccccc1 22250178 UWHIUCOQIGLBPG-KRWDZBQOSA-N 434.565 5.462 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(C(F)(F)F)c2)[n+]2ccccc2)cc1 22693592 HZSGQSVXCZDFPS-UHFFFAOYSA-O 445.486 5.443 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)n1 63533489 RATAEPUZDJVXTR-UHFFFAOYSA-N 445.253 5.930 30 20 IKED C=CCN(CC(=O)Nc1c(F)cc(F)cc1Br)Cc1ccc(Cl)s1 96994280 IPSOWVBMKCDZQZ-UHFFFAOYSA-N 435.721 5.069 30 20 IKED COc1ccc2[nH]cc(C3=CCN(CC(=O)c4cn(CCC#N)c5ccccc45)CC3)c2c1 110982260 NBAXKBLXDLYZBP-UHFFFAOYSA-N 438.531 5.017 30 20 IKED C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 302928227 FDZVCFNUUAWHKD-LBPRGKRZSA-N 432.332 5.318 30 20 IKED CC(C)Oc1ccc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 410238600 NXKKCCZMNNEHIW-UHFFFAOYSA-N 429.520 5.441 30 20 IKED CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 426698230 ZCVQGGLBKBEQIF-UHFFFAOYSA-N 439.924 5.053 30 20 IKED FC(F)(F)c1ccc(Cn2cc(CN3CCC(C(F)(F)F)(C(F)(F)F)C3)cn2)cc1 428263644 SNMXYTKUNXIRGK-UHFFFAOYSA-N 445.329 5.267 30 20 IKED N#CCCN(CC1CC1)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F 428893478 VHKLTDUPXLYHHK-UHFFFAOYSA-N 425.398 5.517 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(c3ncc4n3CCCC4)CC2)cc1 433949206 JRNDRERFWJKIKL-UHFFFAOYSA-N 442.588 5.262 30 20 IKED C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 437745518 LITBLQWOPULFMM-BCHFMIIMSA-N 443.522 6.086 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H](CSc4ccccc4)C3)cc2)c1 438076278 TYHMLZLWZAKGTK-FQEVSTJZSA-N 429.545 5.997 30 20 IKED N#Cc1cccnc1OC1CCC(NC(=O)CCCc2ccc(Cl)c(Cl)c2)CC1 438614940 WPCSBTLIVXBTBG-UHFFFAOYSA-N 432.351 5.089 30 20 IKED N#CCC[C@H](NC(=O)Cc1csc(-c2cc(Br)cs2)n1)c1ccccc1 439678824 RCZRHPNIGLGXFW-INIZCTEOSA-N 446.395 5.338 30 20 IKED N#Cc1cccc(-c2nnc(CN(Cc3ccccc3C(F)(F)F)C3CCCC3)o2)c1 441509613 MESKCAQACGNYGY-UHFFFAOYSA-N 426.442 5.572 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1ccc2nc(C)sc2c1)c1ccc(C(F)(F)F)cc1 442097204 JHIPAGLUOKISIB-KRWDZBQOSA-N 447.482 5.386 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2c(F)cc(Br)cc2F)c1 443881626 RUKLUKJHXGWNAG-UHFFFAOYSA-N 443.247 5.430 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N1CCCC[C@@H]1c1cccc(Cl)c1 447361866 CAVSDJQBLYRKEU-LJQANCHMSA-N 427.957 5.038 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccnc(Oc4ccc(F)cc4F)c3)cc2)nc1 448447551 OATSKIAYZORVTB-UHFFFAOYSA-N 444.397 5.463 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](c2cccc(O)c2)C1 460376167 RVGLPLWUFGRKTF-FQEVSTJZSA-N 445.350 5.112 30 20 IKED C=C(C)Cn1c(-c2ccccc2C)nnc1N(C)CC(=O)Nc1c(Cl)cccc1Cl 460782852 NTLIBBVSYQJRIX-UHFFFAOYSA-N 444.366 5.211 30 20 IKED N#C[C@@H](NC(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)c1ccc(Cl)cc1 463779415 SWFAGGNWSNCYRL-HXUWFJFHSA-N 432.842 5.191 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3ccccc3C)no2)nc2cc(Cl)ccc2c1=O 466608958 QNNOEGBWQGZKKV-CQSZACIVSA-N 438.940 5.448 30 20 IKED O=C(c1ccnc(Oc2ccc(F)cc2F)c1)N(CCC(F)(F)F)CC(F)(F)F 468520107 YLPIDMDHPJMXPY-UHFFFAOYSA-N 428.279 5.109 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(CCC(F)(F)F)cc3)ccc21 469976088 XZVOHLDHZDIKEE-UHFFFAOYSA-N 429.442 5.017 30 20 IKED COc1cc(F)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1OC 470166861 JPITXQRMKLADRR-UHFFFAOYSA-N 426.831 5.413 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCCC[C@H]3CCc3ccccc3)ccc21 470532960 RFUWBFPICASSSX-DEOSSOPVSA-N 444.579 5.289 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)NC3CCC(c4ccc(F)cc4)CC3)ccc21 470539678 LHHSGOTWCYZUCJ-UHFFFAOYSA-N 448.542 5.257 30 20 IKED COc1cccc(C=C2CCN(CC(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)c1 473024893 UKVYTVDIMIJXIN-IBGZPJMESA-N 435.593 5.065 30 20 IKED CSc1cccc(C)c1NC(=O)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 473405579 HGQAOZUPONTGSI-KRWDZBQOSA-N 429.545 5.072 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)C[C@H](CC#N)c3ccccc3)C2)n1 477090211 OJYPKHPQBPOLFX-LEWJYISDSA-N 445.588 5.612 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Br)cc1OCC 477973470 YPQULTJJGKRTJV-UHFFFAOYSA-N 435.366 5.235 30 20 IKED C=CCn1c(SCc2ccc(OCc3ccccc3F)nc2)nnc1-c1ccoc1C 479205505 FUVJWKZMJRXGIY-UHFFFAOYSA-N 436.512 5.438 30 20 IKED CCN(C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)[C@@H](C)c1ccc(C#N)cc1 480054412 BIDZBDWXIRIOSF-IBGZPJMESA-N 445.588 5.804 30 20 IKED Cc1cc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)nn1[C@H](C)C1CC1 480305069 BRVBIDNOUZOORQ-GOSISDBHSA-N 429.524 5.452 30 20 IKED C=C(C)[C@@H](NCc1nnc(C(=O)Nc2ccc(CC)cc2)s1)c1ccc(F)c(F)c1 481611237 JTKWKMJFVPWZDH-HXUWFJFHSA-N 428.508 5.038 30 20 IKED N#CCC[C@H](NC(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccccc1 482404535 WEYVLKOEJVJUNH-DLBZAZTESA-N 429.364 5.653 30 20 IKED N#Cc1ccc(SCC(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)cc1 482776465 AQOUFNBSMDEYHK-UHFFFAOYSA-N 430.316 5.783 30 20 IKED CCOC(=O)c1sc(N(C(=O)C[C@H](CC#N)c2ccccc2)c2ccccc2)nc1C 483287592 WBTWEJKSJFFPJG-IBGZPJMESA-N 433.533 5.381 30 20 IKED CC[C@H](NC(=O)Nc1ccc(C#N)c(Br)c1)c1nc(C(F)(F)F)cs1 487888368 ZPHXYQQOOADDTI-NSHDSACASA-N 433.253 5.069 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC23CCC(C(F)(F)F)(CC2)CC3)cc1C 488448718 NKEQOQGJUOIBNZ-UHFFFAOYSA-N 444.501 5.466 30 20 IKED C=CCn1c(SCc2cccc(C(=O)N3CCCCC3)c2)nnc1-c1cccc(OC)c1 488904009 BIZSXATYOPAOMK-UHFFFAOYSA-N 448.592 5.058 30 20 IKED Cc1ccc(-c2ccsc2C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cc1 500013106 XASVHNXVQKMOFF-UHFFFAOYSA-N 438.556 5.106 30 20 IKED Cc1nc([C@H]2CCCCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)no1 501406823 MXRYLEIBTPZRKC-LJQANCHMSA-N 435.459 5.330 30 20 IKED CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 504073529 GNOYXUZDLCXHAW-NTKDMRAZSA-N 437.927 5.196 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)o1 505346127 VRKSQHKFGFKOSK-KRWDZBQOSA-N 426.259 5.032 30 20 IKED N#C[C@H](NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1ccccc1Cl 505695695 WGIONUOMFRMIRW-NRFANRHFSA-N 437.952 5.358 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 507660199 MKZOECRMWHNWHC-UHFFFAOYSA-N 446.841 5.402 30 20 IKED CC(C)N(Cc1ccccc1F)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 509259680 ICECDVPGTWCBLG-UHFFFAOYSA-N 441.557 5.284 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 512547481 OACNYUBAIAFNQR-HNNXBMFYSA-N 434.371 5.960 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1 512679987 FOOVWOTXTRUGDQ-MRXNPFEDSA-N 433.483 5.017 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2nc3ccccc3s2)o1)c1nc(-c2ccncc2)cs1 512959333 XUWYKZJRNVEIFY-AWEZNQCLSA-N 428.498 5.565 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)s2)cc1 514637552 QLOHUDYLSABOLB-UHFFFAOYSA-N 442.500 5.438 30 20 IKED C=CCn1c(-c2cc(-c3ccccc3)nc3ccccc23)nnc1N1CC=C(COC)CC1 516688126 RKKJFLLNFGTTOB-UHFFFAOYSA-N 437.547 5.129 30 20 IKED C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@H](C)c1ccc(-c2ccccc2OC)cc1 517034312 YUMSQTISLNLMMH-XLNZFTOWSA-N 432.568 5.435 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)c1C#N 517342328 DGJQHYYWBZSUIM-MRXNPFEDSA-N 444.560 5.018 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)n1Cc1ccccn1 517801159 YNRVCKYQQZASSU-JOCHJYFZSA-N 437.528 5.034 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(Cl)cc2cccnc12 518665480 DVKRPDUWDOLTSQ-OAHLLOKOSA-N 442.009 6.154 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc3nc(C(F)F)[nH]c3c2)cc1 518915738 PJUNRUNYRMHIOJ-UHFFFAOYSA-N 432.430 5.398 30 20 IKED COc1ccc(C)cc1-n1ccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)n1 518948243 XNFUPNKLWCAYMN-UHFFFAOYSA-N 440.528 5.140 30 20 IKED C=CCc1cc(CNC(=O)N2CC=C(c3c(C)[nH]c4ccccc34)CC2)cc(OC)c1OC 523309427 IMNQETAMHOVZPG-UHFFFAOYSA-N 445.563 5.221 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccnc(Oc4ccccc4Cl)c3)cc2)nc1 524023359 XDKDFVRSVSYBBN-UHFFFAOYSA-N 442.862 5.839 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C3(c4ccccc4)CCOCC3)cc2Cl)c1 524389504 KHCKIVMKKICSHJ-UHFFFAOYSA-N 446.934 5.478 30 20 IKED CC(C)C[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(Cl)cc1 525611547 SRHDZVKZTNDXPT-JOCHJYFZSA-N 425.960 5.270 30 20 IKED CN1CCC(C#N)(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)c(Cl)c2)CC1 526996198 LTJOGXHQUXQTGE-UHFFFAOYSA-N 438.742 5.157 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NCc1ccc(C#N)cc1F 533446826 HSUPNEATHGMKDS-GFCCVEGCSA-N 430.346 5.743 30 20 IKED Cc1ccc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)cc1NC(=O)c1ccccc1F 536973302 XYUSUCJEPLYGBG-UHFFFAOYSA-N 435.524 5.869 30 20 IKED Cn1ncc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1-c1ccccc1 539294209 YXKMSJOAVXEEBV-OAQYLSRUSA-N 426.907 5.648 30 20 IKED CC(=O)c1ccccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 539680303 KAMUCTCHUOLUJN-UHFFFAOYSA-N 429.423 5.079 30 20 IKED CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 539993240 MYLHOVNKXQWMBN-UHFFFAOYSA-N 440.547 5.124 30 20 IKED C=CCC[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(C(F)(F)F)cc1 540428433 VUEXYBZUBPJUPN-SFHVURJKSA-N 432.402 5.461 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cc(-c3ccccn3)ccc2Cl)n1 542053461 XJIWYPWRBGSWKO-UHFFFAOYSA-N 434.286 5.365 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 543564210 PIMGJBYXXVQEBH-OFVILXPXSA-N 445.494 5.840 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1 543598393 ZSAWDDDQQQMYQU-OZXSUGGESA-N 444.506 5.790 30 20 IKED C[C@@H]1C[C@@H](C)N1CC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccccn1)CC2(C)C 548098210 DIKLAWSYRGLPML-MGSINWNPSA-N 432.593 5.214 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@H](c2ccc(F)cc2)c2ccccc2Cl)CC1 548900518 OZDHDOZIGSGKCX-HSZRJFAPSA-N 448.929 5.230 30 20 IKED N#C[C@@H](NC(=O)Cc1cscc1Br)c1ccc(OCc2ccccc2)cc1 550592533 AZTDEPVBHXZYDX-HXUWFJFHSA-N 441.350 5.013 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F 553319851 FUIKCLZXHGEROX-OXQOHEQNSA-N 447.526 6.859 30 20 IKED Cc1cccc(O[C@@H](C)c2nnc(N3CCC(CC#N)CC3)n2Cc2ccccc2)c1C 558927967 IOYKHKUFIOGJDT-NRFANRHFSA-N 429.568 5.213 30 20 IKED COc1ccccc1[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1ccccc1 569753805 LXYIDPRKAYCZAS-DEOSSOPVSA-N 435.531 5.215 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1)[C@@H]1C[C@H]1C 571475188 MCOUOBXZKTYLJK-WXTAPIANSA-N 439.515 5.151 30 20 IKED N#Cc1cc(NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)ccc1Cl 585709541 UGIBKZWNAWRASH-UHFFFAOYSA-N 441.984 5.253 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2cccs2)nc2ccccc12)c1nc2cc(F)ccc2s1 592974717 XZFIFMZIZWWNHR-INIZCTEOSA-N 429.501 6.202 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@H](C)O2 594304181 QAUURWLFEKLDRX-POZUXBRTSA-N 447.000 5.377 30 20 IKED CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1 603689187 BGBCSXMDLFMVOO-QGZVFWFLSA-N 443.507 5.052 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 603983328 WGODBBRJAQBNHW-INIZCTEOSA-N 439.943 5.022 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c1 608808185 UGYBAFBJTNEDLB-ICSRJNTNSA-N 426.394 5.035 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2NC(=O)c2cccs2)o1 608809163 VOSXWIDVIPDFRM-UHFFFAOYSA-N 443.484 5.296 30 20 IKED Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609062572 BUZKBKPHBZAFEZ-UHFFFAOYSA-N 443.890 6.006 30 20 IKED Cc1nc2cc(F)ccc2cc1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 609173808 XQEDWUOGZOQNIN-VWLOTQADSA-N 425.463 5.256 30 20 IKED CN(C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)c1ccc(C#N)cc1F 609217348 CWZYISHNSBTAEZ-UHFFFAOYSA-N 433.433 5.719 30 20 IKED Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)CC2 609323768 FTRXDBCNZRPJDJ-UPVQGACJSA-N 443.934 5.046 30 20 IKED COc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609378417 KZBKTJLNPHYGMY-UHFFFAOYSA-N 446.454 5.158 30 20 IKED COc1cccc(CN(C[C@@H]2CCCO2)C(=O)Nc2ccccc2SC[C@H](C)C#N)c1 609398617 DTMJEROLFRPQES-NQIIRXRSSA-N 439.581 5.160 30 20 IKED N#Cc1cccc(OCCCCC(=O)N[C@@H]2CCOc3c(-c4ccccc4)cccc32)c1 609503315 NVHQXUOPFWXMFW-RUZDIDTESA-N 426.516 5.414 30 20 IKED C=CC1CCN(C(=O)[C@@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)CC1 609506823 ZFAZXETXNUWJNZ-OAHLLOKOSA-N 439.606 5.110 30 20 IKED C[C@H](c1ccccc1)N1CCC(NC(=O)c2cccc(COc3ccccc3C#N)c2)CC1 609696111 GIYLHWCXVQWZCA-OAQYLSRUSA-N 439.559 5.093 30 20 IKED C[C@@H](NC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1)c1cccc(C#N)c1 610357949 WQDBBUTZPSFOFJ-GOSISDBHSA-N 439.519 5.031 30 20 IKED C[C@@H](NC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc(C#N)c1 610407987 BASCLUYASHYOTO-HXUWFJFHSA-N 435.531 5.314 30 20 IKED Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 611124986 SBPOCUKLYVCVAI-INIZCTEOSA-N 435.553 5.859 30 20 IKED COc1ccc(F)cc1[C@H](C)NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612806455 ZBLQBIVCNWPVAC-MEWQQHAOSA-N 430.364 5.104 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 615573909 XRTFBGSVSBQCFU-UHFFFAOYSA-N 431.989 5.684 30 20 IKED O=C(c1sc2cc(F)ccc2c1Cl)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618295170 GCORWKHTYBOOLF-HTQZYQBOSA-N 433.776 5.897 30 20 IKED Cc1ccc(F)c(C(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1 622517362 HBASJSQTPNXZCS-QGZVFWFLSA-N 435.339 5.385 30 20 IKED Fc1ccc(CCN2CCC(NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)CC2)cc1 643367021 XVEBVKFLVVTGTK-HOTGVXAUSA-N 440.447 5.332 30 20 IKED C[C@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1c(F)cccc1Cl 674437252 GKLJNVWRKMVQCP-UKKRHICBSA-N 434.783 5.749 30 20 IKED CCOc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1 674569593 DIMIVLASILIHDN-PHIMTYICSA-N 438.290 5.309 30 20 IKED O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 677993731 PGHNGDRHFNVJQN-VBQJREDUSA-N 449.370 5.082 30 20 IKED Fc1cccc(F)c1-c1csc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)n1 681399506 AUPSUHXFFNKSIR-NXEZZACHSA-N 430.364 5.651 30 20 IKED C=CCn1c(SCc2csc(COc3ccc(C)cc3)n2)nnc1-c1cccnc1 685888346 DZEITRWSYSMJLU-UHFFFAOYSA-N 435.578 5.162 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C)cc2)[n+]2ccc3c(c2)CCCC3)c1 726572721 LDVPMQZAYVCRJF-UHFFFAOYSA-O 425.577 5.466 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 729576711 XMBMVGXEGHTYOM-UHFFFAOYSA-N 448.567 5.688 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1cccc(OCc2ccccc2C)c1 729949245 UUXPHYUAJBJZQD-UHFFFAOYSA-N 435.527 5.252 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 731114165 IETKDQXBJAYWBD-DLBZAZTESA-N 446.617 5.095 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnn(-c3ccccc3Cl)c2C)cc1 732708644 SVROPMYTOZRYTG-IBGZPJMESA-N 434.927 5.138 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 732900672 UKKQFOUVZMSNAM-LJQANCHMSA-N 430.410 5.752 30 20 IKED N#C[C@@H](C(=O)c1cccnc1SC(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1 733679827 PLQAGBJGUFMQFM-ZDUSSCGKSA-N 439.871 5.960 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)c2nc3ccccc3s2)cc1 734209012 CIEATJQHJOYWMY-OAHLLOKOSA-N 444.516 5.852 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1Oc1ccncc1 734706624 OHWRLYSFWAMCFN-IBGZPJMESA-N 440.286 5.450 30 20 IKED C[C@H](C#N)Oc1ccc(/C=C2/CC(C)(C)C/C(=C/c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1 736433625 HRVHRSABEOSHIT-YZRLNIIASA-N 440.543 6.124 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)c1ccccc1SCC#N 737994325 NYXXGVSOTSVEIQ-UHFFFAOYSA-N 430.508 5.556 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCCCC[C@H]2c2ccc(C)o2)ccc1OC 739024778 RYWKWLZIGIVEKJ-PMACEKPBSA-N 425.529 5.105 30 20 IKED Cc1cc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c(C)n1Cc1ccccn1 739748505 ARSQDKMYMVWYIN-UHFFFAOYSA-N 426.545 5.078 30 20 IKED Cc1nn(-c2ccc(F)cc2F)c(C)c1/C=C/C(=O)c1cnn(-c2ccc(C#N)cc2)c1C 741853186 XYQQMLSFTHHTJV-PKNBQFBNSA-N 443.457 5.029 30 20 IKED CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccc(C#N)o2)NC(=O)N1c1ccc(C)cc1 743739010 QAEGRHBTQVLDMR-QFIPXVFZSA-N 446.894 5.297 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)cc1 747108926 MXFOPJKKMMXTIU-LJQANCHMSA-N 438.842 5.241 30 20 IKED COc1ccc(/C=C(\C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cc1O 747154835 MKKJESQQKWOHAE-UYRXBGFRSA-N 435.907 5.576 30 20 IKED N#C[C@H](NC(=O)/C=C\c1ccc2ccc(Cl)cc2n1)c1cccc(Br)c1 749614377 BDJUQJCWHUHIRQ-QWUACUGRSA-N 426.701 5.045 30 20 IKED Clc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2nc(-c3ccncc3)no2)cc1 750947593 ASAKGRYGGKVMRY-UHFFFAOYSA-N 441.882 5.084 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 752695378 UNAGMSGQDHZJPT-NQIIRXRSSA-N 438.503 5.476 30 20 IKED COc1ccc(-c2csc3ncnc(NN=Cc4c(C5CC5)nc5sccn45)c23)cc1 755578410 BXZOJUVAIWZIOQ-UHFFFAOYSA-N 446.561 5.400 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2nc(-c3ccccc3)cs2)c1 755609857 FYEBIJVJNOYMMG-UHFFFAOYSA-N 449.605 5.583 30 20 IKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H]2CCC(F)(F)C2)c1 763205243 MMVXCAMLHYVKOI-MOPGFXCFSA-N 443.519 5.143 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@H](C)Oc1cccc2ccccc12 769351341 CUJKRJPBXKWBEU-ROUUACIJSA-N 448.544 5.041 30 20 IKED N#CCOc1ccc(CN[C@@H](c2ccc(Br)cc2C(F)(F)F)C2CC2)cc1 774237853 ZQJCKGDHWBRXHN-LJQANCHMSA-N 439.275 5.611 30 20 IKED C=CCCC(=O)Nc1ccc(COC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1 774579658 SMGVONISPAEROU-UHFFFAOYSA-N 445.397 5.017 30 20 IKED CC(=O)N(c1nc(/C=C2\CCc3ccc(F)cc3C2=O)cs1)c1ccc(F)cc1F 776191076 AWJVIICGWKAWRU-RIYZIHGNSA-N 428.435 5.458 30 20 IKED COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nc1Br 782580840 HYULACZPBLBQIZ-LBPRGKRZSA-N 448.729 5.120 30 20 IKED C=CCCN(Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1)OCc1ccccc1 782665255 TYOOMCQKTMXSCR-UHFFFAOYSA-N 435.593 5.954 30 20 IKED C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)Nc1ccccc1SC[C@H](C)C#N 788598710 IQVPVCLYYZLFRT-SJORKVTESA-N 438.553 5.120 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)cc1 793451322 QEYFIUXICVPQKL-KKUQBAQOSA-N 433.515 5.205 30 20 IKED Cc1sc2ncn(N=Cc3c(F)cccc3Br)c(=O)c2c1-c1ccccc1 794473925 FLJSPVKOVJGKKO-UHFFFAOYSA-N 442.313 5.217 30 20 IKED COc1ccc([C@@H]2C[C@H]2NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 797622757 RETQOWBFCFTNFO-UKILVPOCSA-N 427.504 5.132 30 20 IKED C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC2(CC1)OCc1ccccc12 800776132 AJGFMZPXWYMJCN-UHFFFAOYSA-N 437.547 5.014 30 20 IKED CCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(SC3CCCC3)cc2)cc1OC 914703695 XGDPEJCPPRABAZ-RIYZIHGNSA-N 439.577 5.141 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(OC)c(NC(=O)OC(C)(C)C)c2)cc(OC)c1OC 915077359 FPTBGFGLZNIPOL-UHFFFAOYSA-N 442.512 5.040 30 20 IKED N#C[C@@H](C(=O)/C=C\c1ccc(Br)o1)c1nc(-c2ccc(Cl)cc2)cs1 916628492 UWQIXMFYNKDQSL-VSKVDJIOSA-N 433.714 5.709 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2sc(C)nc2-c2cccs2)cc1 916947567 NCMUERRRFLPYBB-RDTXWAMCSA-N 437.590 5.584 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ncc(-c3ccccc3F)o2)cc1 916955954 VZNGJCKYHFQCAI-OXQOHEQNSA-N 433.483 5.274 30 20 IKED COc1ccc(/C=C\C(=O)c2ccc(F)cc2F)cc1OCc1ccc([N+](=O)[O-])cc1 917044295 SGAITGIFUUSXHK-WMZJFQQLSA-N 425.387 5.357 30 20 IKED N#C[C@@H](C(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1nc2cc(Cl)ccc2s1 917044447 SCEJJODVUOLAAL-AWEZNQCLSA-N 443.315 5.462 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)cc1 921235480 CYHFQINZPOSWGD-CLOONOSVSA-N 444.966 5.643 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CNc3ccc(F)cc3)cc2)CCC1 1787983992 YLAVYJMFHKQXDL-QHCPKHFHSA-N 435.543 5.140 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3Cl)cc2)CCC1 1790668115 DQDBGRRHZBPJGD-UHFFFAOYSA-N 432.948 5.146 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(Cl)c(F)c3)C2)CC1 1805218886 JYDGTJSBXOCTBP-HXUWFJFHSA-N 446.994 5.021 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc3ccccc3c2)n[nH]1 1816826715 BKXYAGQYBIXVHD-JPYJTQIMSA-N 430.552 5.010 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ccccc23)n[nH]1 1818452755 CBESDLXWPXPKTE-YKSBVNFPSA-N 442.563 5.637 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3cnccc3c2)n[nH]1 1818644869 XNHXCRVTLPLLAM-GMAHTHKFSA-N 443.551 5.032 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccsc2)CC1 1827102115 WDJUNWFBJHDSBB-HSZRJFAPSA-N 428.642 5.069 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3sccc3[nH]2)CC1 1828827976 ARZAELGACYWDGD-UGKGYDQZSA-N 439.625 5.231 30 20 IKED CC(C)(C)CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C#N)CCC2)CC1 1831577346 PKKWAUVPGURPBT-JOCHJYFZSA-N 429.649 5.297 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccc(C)cc2C)cc1 10168869 GPTHRYADGZCCBW-UHFFFAOYSA-O 445.652 6.718 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)c(Cl)c1)=C(/S)Nc1ccc(C)cc1 10173156 MLGQATRASONCRZ-UHFFFAOYSA-O 444.407 6.203 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccccc2CC)cc1 10174294 AWFQWOKTUWEABF-UHFFFAOYSA-O 425.524 5.428 30 20 IKED N#CCC[C@@H](C#N)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 15244490 LPTJRLPEOPDGJL-INIZCTEOSA-N 442.375 5.836 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nc2sc3c(c2c1=O)CCC3 20047613 DEOJHRWCZDBJGG-ZDUSSCGKSA-N 436.562 5.036 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)n1 21514660 MOZWSVYYIYDTJY-VIFPVBQESA-N 434.270 5.707 30 20 IKED N#CCCN(Cc1ccco1)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 57614659 BANQDGSEOOXJJL-UHFFFAOYSA-N 433.558 5.738 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(COCCc2ccccc2)c1 63394628 MXMVBXVJKZERIG-UHFFFAOYSA-N 425.532 5.538 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)cc1Cl 111148048 DSNFDJKMMPCPQE-QGZVFWFLSA-N 436.849 6.062 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)cc1 111184106 RWBRYJPMJWOIMU-UHFFFAOYSA-N 429.520 5.237 30 20 IKED C[C@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1C(=O)c1ccc(C#N)cn1 216993866 VETGTEXVLNETFN-HNAYVOBHSA-N 426.907 5.437 30 20 IKED N#CCCSc1ccccc1NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 303284963 LEBBAVOFXVTXTR-QFIPXVFZSA-N 428.513 5.399 30 20 IKED CC1CCC(N2C[C@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)CC1 303317886 HEMZISMZAQKWOE-CGKCLMIXSA-N 441.984 5.067 30 20 IKED C[C@H]1CN(Cc2ccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)cc2)C[C@@H](C)O1 303342565 LVTYHGCYTOJWJV-BGYRXZFFSA-N 441.531 5.212 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N(Cc2ccccc2)CC2CCOCC2)c1 303477508 OBEZILMCQUOPKV-UHFFFAOYSA-N 440.543 5.206 30 20 IKED COCCN(C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1ccc(C#N)cc1 304116596 ZNUOKYBJEIIUGA-UHFFFAOYSA-N 446.359 5.211 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3ncc(C4CCCCC4)s3)c2)cc1 426198768 MNJSUKBMCIJNEM-UHFFFAOYSA-N 446.532 5.432 30 20 IKED CCC(C)(C)OCc1cccc(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1C 428775877 YESAMCIURGKOFM-UHFFFAOYSA-N 438.547 5.065 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2oc3ccccc3c2CSc2ncccn2)s1 430638121 CDQILBRWUGGKMD-OAHLLOKOSA-N 448.573 5.759 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 436350899 ASYWYCHZHMDBIJ-SFTDATJTSA-N 435.524 5.082 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCCCn2cnc3ccccc32)cc1F 438646928 FUCDDYAQZRUZRK-UHFFFAOYSA-N 429.455 5.051 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cnc2ccsc2c1 439578841 YLMWSGMBNJKVJD-UHFFFAOYSA-N 443.497 5.122 30 20 IKED COc1cc(C(=O)N[C@@H](CCC#N)c2ccccc2)cc(OC)c1OCc1ccccc1 439665810 YAZRCCGEPCQGDU-QFIPXVFZSA-N 430.504 5.058 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccccc1NC(C)(C)C)c1ccc(-c2cccc(C#N)c2)cc1 439831274 OQSYYSJBODFTDJ-GOSISDBHSA-N 440.547 5.252 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(COC2CCOCC2)cc1 443941124 UUZNWBVEXXUPCO-GOSISDBHSA-N 439.581 5.098 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(c2cccc3cnccc23)C[C@@H]1C 446167654 JOPCIZSKBWBRMP-OALUTQOASA-N 445.592 5.372 30 20 IKED Cc1ccccc1[C@H]1CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@H](C)CO1 460401937 DZYZNDCSLXQHIJ-FQRUVTKNSA-N 426.516 5.048 30 20 IKED COc1ccc(C2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)cc1 467703910 GCHXRDFALSIEKG-UHFFFAOYSA-N 427.504 5.771 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(NC(=O)CCN2CCCCC2)c1 471288470 RHRNZWBAOURMPO-UHFFFAOYSA-N 434.584 5.111 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(Cl)cc2Br)c1C 472263283 NHYGJLZNMUCBOK-UHFFFAOYSA-N 429.705 5.029 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cnn(CCC(F)(F)F)c1 474274593 MUQSQDLTQKSTNB-ZDUSSCGKSA-N 447.301 5.278 30 20 IKED Cn1cc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c(-c2ccc(Cl)s2)n1 475816561 ULIDXEWUVULGGR-CYBMUJFWSA-N 425.728 5.103 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 476124932 ZMTQPJDHRGDQSQ-UHFFFAOYSA-N 437.543 5.798 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 476168351 XGQMGPHKVLMRDE-KRWDZBQOSA-N 441.369 5.293 30 20 IKED Cc1ccc(C#N)cc1NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 477109198 KOCMKCVDHSCKDD-RRJNICJXSA-N 444.419 5.928 30 20 IKED N#C[C@@H](C(=O)c1ccc(N2CCCC2)nc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 478097286 QDTSJTBEGGXZON-INIZCTEOSA-N 443.359 5.602 30 20 IKED CN(C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1cc(Cl)ccc1C#N 479561480 FGRDXLZTDHOHMT-UHFFFAOYSA-N 435.858 5.559 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 480339693 FVDDEVDRYRBWAR-UHFFFAOYSA-N 428.989 5.990 30 20 IKED Cc1cc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)nn1[C@H](C)C1CC1 480601141 LVKULSMSTRVUJF-MRXNPFEDSA-N 433.487 5.396 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cnn(-c2ccccc2Cl)c1CC 482087014 YYTAQCNKPLBUJC-UHFFFAOYSA-N 440.979 5.476 30 20 IKED O=C(N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)N1CCC[C@H](C(F)(F)F)C1 482329143 GGOTYLKMYPSJTJ-JQWIXIFHSA-N 438.290 5.173 30 20 IKED CCS[C@@H](C)c1noc(CN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)n1 482919437 MYZNMARBVPDJFG-HNNXBMFYSA-N 437.525 5.212 30 20 IKED N#CC[C@H](CC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)c1ccccc1 483146653 XZVWFOBJTBCFHU-MRXNPFEDSA-N 441.409 5.577 30 20 IKED CCOC(=O)c1csc([C@H]2CCCN2C(=O)Nc2cccc(C#Cc3ccccc3)c2)n1 484303937 HFPCGZPHWZPSBQ-JOCHJYFZSA-N 445.544 5.089 30 20 IKED C[C@@H](NC(=O)Nc1cc(F)ccc1OCC(F)(F)F)c1nc(C(F)(F)F)cs1 486658855 PVGCXKIVXVEIPP-SSDOTTSWSA-N 431.333 5.125 30 20 IKED O=C(Nc1c(F)cc(F)cc1Br)N1CCC(C(F)(F)F)(C(F)(F)F)C1 487221181 HHDNJCOXRTZYMB-UHFFFAOYSA-N 441.116 5.076 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1SCc1ncc(-c2ccccc2Br)o1 488787215 WQFGRQHVJPSSKA-UHFFFAOYSA-N 440.244 5.682 30 20 IKED Cc1cc(C)n(-c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cn2)n1 498549212 HJMLRPRHTLXFRS-UHFFFAOYSA-N 425.517 5.159 30 20 IKED COc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c(C(F)(F)F)c1 500780744 PSPBRSHSWKMPQE-UHFFFAOYSA-N 426.394 5.417 30 20 IKED C=CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc(Br)ccc1F 502181751 AXCYMKYUYSVDHT-UHFFFAOYSA-N 446.147 5.522 30 20 IKED N#Cc1ccc(NC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cc1Cl 502645690 BQDYCUOJZLXMIF-UHFFFAOYSA-N 445.737 6.148 30 20 IKED Cc1ccc(CN2CCSCC2)cc1NC(=O)c1ccccc1-c1ccccc1C#N 502723224 WLXUPDYXCFLMDR-UHFFFAOYSA-N 427.573 5.335 30 20 IKED CCCN(CCC)C(=O)c1cccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c1 503563095 QTNLYLJVWXTLSN-NRFANRHFSA-N 431.561 5.562 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)o1 505591876 DLMPYAMXYZMKEO-PKOBYXMFSA-N 426.394 5.035 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(F)cc1OCCC(F)(F)F 505883095 OBFRFQXDJUKIEX-UHFFFAOYSA-N 426.410 5.386 30 20 IKED C=CCN(Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1)Cc1ccc(Cl)s1 506087521 XWYUPRMKLRHUEJ-UHFFFAOYSA-N 435.977 5.870 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H](CO)c2ccc(Cl)cc2)cc1Cl 506476450 FXGMDVKYKPOVIY-RTWAWAEBSA-N 425.315 5.363 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@@H]1CCCN(C2CCC2)C1 511302952 BMBFTBFFGUZXFD-DENIHFKCSA-N 433.621 5.233 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C(C)C 511572069 DAJUQKNQOYMOIC-DEOSSOPVSA-N 445.494 5.191 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CSc1ccc([N+](=O)[O-])cc1 514536437 QSFGMTKWKDVRGT-UHFFFAOYSA-N 435.480 5.240 30 20 IKED CCc1cc(C#N)c(NC(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)s1 515721101 CZTDQLWWQLFLGX-UHFFFAOYSA-N 433.537 5.637 30 20 IKED N#C[C@@H](C(=O)c1cccc(OCc2cccc(Cl)c2)c1)c1ccc(C(F)(F)F)cn1 516267189 YAYQXAGPLPUMIH-LJQANCHMSA-N 430.813 5.823 30 20 IKED Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 517511724 NULPEQZDLPFWCG-UHFFFAOYSA-N 440.478 5.473 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 518682259 XYFNQTUTBGZAFM-VFNWGFHPSA-N 442.009 6.564 30 20 IKED CCn1c([C@@H]2CCCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)nc2ccccc21 518755295 DMLKBHMTUVTGSA-UWJYYQICSA-N 433.581 5.819 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 519573655 UDMVAQJYPGKCCT-JKSUJKDBSA-N 448.466 5.225 30 20 IKED CCO[C@H](c1noc(Cc2cc(F)c(F)cc2F)n1)c1ccc(F)cc1C(F)(F)F 521941335 LGLDMASJPLZBHI-KRWDZBQOSA-N 434.311 5.362 30 20 IKED C[C@H]1CO[C@@H](c2ccccc2Cl)CN1CC(=O)Nc1ccccc1S[C@H](C)CC#N 533440559 DNHJJSJYJOCLRV-CSODHUTKSA-N 444.000 5.135 30 20 IKED C=CCN(C(=O)C[C@@H]1CCCC(C)(C)C1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 535954871 QDZHSUROJYHUOI-KRWDZBQOSA-N 446.638 5.339 30 20 IKED C=CCn1c(SCC(=O)Nc2c(C)cccc2Cl)nnc1-c1cccc(Cl)c1 535990981 ONVHSUQYQDLJBR-UHFFFAOYSA-N 433.364 5.477 30 20 IKED COCC1(C)CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 540226420 RIQCAIVUNYISNS-UHFFFAOYSA-N 427.932 5.071 30 20 IKED Cc1sc([C@@H](C)N[C@@H](C)C(=O)NC2(C#N)CCCCC2)nc1-c1ccc(Cl)cc1 541646273 CXNKQFDTECHRSQ-LSDHHAIUSA-N 431.005 5.154 30 20 IKED COC(=O)c1occc1CN[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 543051350 AAAZVHXKQDIVKH-CYBMUJFWSA-N 449.269 5.497 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccncc3N3CCCC3)cc2Cl)c1 544343875 YTXSTLPSDMUNBI-UHFFFAOYSA-N 432.911 5.038 30 20 IKED C=C(C)COc1cccc(NC(=O)N(Cc2ccc(OC(F)F)c(OC)c2)C2CC2)c1 551114528 FANNXLNGYCTOCI-UHFFFAOYSA-N 432.467 5.448 30 20 IKED CC[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccccc1OC(F)F 553787294 MASJELLBVLYUFO-LJQANCHMSA-N 447.457 5.003 30 20 IKED CC1=C(c2ccco2)CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 558749269 OLJVMVBZKMBGPZ-UHFFFAOYSA-N 426.476 5.115 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N(C)Cc1cc(Br)cs1 559022062 CWVPFKZFWXIWGE-UHFFFAOYSA-N 447.402 5.031 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1nc(-c2ccc(Cl)c(Cl)c2)oc1C 561228692 BPRDLEBWSBLDDF-UHFFFAOYSA-N 435.307 5.261 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)N[C@@H](c1cccs1)C1CC1)c1ccc(C(F)(F)F)cc1 563508392 CNRGQLJVVFDNCK-IEBWSBKVSA-N 436.499 5.158 30 20 IKED CN(C(=O)c1ccc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1)c1ccccc1 565747585 MXJZJPAKXKRETD-UHFFFAOYSA-N 448.482 5.274 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4c(F)cccc4F)n3)n2)cc1 587988828 VFMWJWPBSCXHRD-AWEZNQCLSA-N 448.479 5.574 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3sc4cc(F)ccc4c3Cl)s2)cc1 602225595 BBWVSCDQIYESCB-UHFFFAOYSA-N 427.913 5.865 30 20 IKED Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)Nc3sccc3C#N)cc12 603450358 OCSCPUSLWXVXHE-UHFFFAOYSA-N 447.372 5.947 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccnc(Oc4ccccc4)c3)cn2)c1 603691602 JSRKDTKPJMARQT-UHFFFAOYSA-N 437.459 5.255 30 20 IKED Cc1nc(SCC(=O)Nc2ccccc2SCC(F)(F)F)c(C#N)c(C)c1C 604077403 PCUXGWBKAZIMKP-UHFFFAOYSA-N 425.501 5.264 30 20 IKED N#C[C@H](C(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1)c1ccccn1 604929623 IPZAMLXQCGWFNU-QHCPKHFHSA-N 433.467 5.616 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2nnc(-c3ccccc3Cl)s2)c1 608806558 PUGMBSNHKVRFBR-UHFFFAOYSA-N 436.880 5.154 30 20 IKED N#Cc1ccc(N2CCC(NCc3ccc(-c4ccc(Cl)c(Cl)c4)s3)CC2)nc1 608983190 OLQCMBAADFKZAD-UHFFFAOYSA-N 443.403 5.747 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3ccc(CSc4ccccc4)cc3)CC2)c1 609185405 NYTXZTQZTBVGKU-UHFFFAOYSA-N 428.557 5.534 30 20 IKED CCCN(C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1)c1cc(Cl)ccc1C#N 609286195 MTGMZNQUOGKTKL-UHFFFAOYSA-N 431.923 5.829 30 20 IKED COc1ccc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC(F)F 609434174 ADPFWEBMUANWQA-UHFFFAOYSA-N 439.418 5.282 30 20 IKED Cc1csc(C(C)(C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1 609711608 FKKZSGQQRZXDEF-UHFFFAOYSA-N 426.929 5.826 30 20 IKED C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 609927993 DABPOPDPEKRENU-LJQANCHMSA-N 447.966 6.080 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C)ccc1SCC(F)(F)F 609932802 LYHIUVQJVHEDAD-UHFFFAOYSA-N 437.487 5.202 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCc2cccc(F)c2[C@@H]1C 610018682 YHYDOKMOBVCTQQ-SFHVURJKSA-N 429.495 5.736 30 20 IKED COc1ccc(-c2cc(NC(=O)N[C@H](C)c3cccc(C#N)c3)ccc2OC(F)F)cc1 610318172 FJDBBJJVCLYRHE-OAHLLOKOSA-N 437.446 5.718 30 20 IKED CCOC(=O)c1sc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c(C#N)c1C 611184235 RNGXRKKBDOXKSQ-OAHLLOKOSA-N 446.528 5.078 30 20 IKED CC(C)c1nc([C@@H]2CCCCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)no1 611530544 PBYZCXXSJLLWCB-FQEVSTJZSA-N 446.511 5.401 30 20 IKED C[C@]1(C#N)CCCN(C(=O)N[C@H](c2cccc(F)c2)c2cccc(Br)c2)C1 612375958 LKJVMUIMKSAONB-PZJWPPBQSA-N 430.321 5.013 30 20 IKED C[C@@H](NC(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1)c1ccc(C#N)cc1 612462138 DKZKNYPULMPHAR-SJKOYZFVSA-N 440.263 5.375 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(NC(=O)c4ccco4)c3)n2)cc1 613318954 KKSZNAWTMXUPNR-IBGZPJMESA-N 427.485 5.454 30 20 IKED O=C(Nc1ccc(OC2CCCC2)c(F)c1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674570742 PRQOWPFGZVIYDI-BETUJISGSA-N 428.348 5.352 30 20 IKED FC(F)Oc1c(Br)cccc1CN1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 676890045 RIJYVVHBZQBLOY-RKDXNWHRSA-N 442.144 5.223 30 20 IKED N#C[C@H](C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1nc2cc(F)ccc2s1 677564530 RIWUUPPESYUCME-GOSISDBHSA-N 439.475 5.173 30 20 IKED Cc1oc(-c2ccsc2)nc1CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 727050857 MGQBFGUISFMMAR-CYBMUJFWSA-N 441.484 5.532 30 20 IKED C#CC[C@H](OC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1)c1ccccn1 727775576 JWLIZSZTGUSGLF-NRFANRHFSA-N 449.304 5.018 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1N(C)C(=O)C1CC1 728028564 MLWGNXBRAGHBDL-UHFFFAOYSA-N 439.515 5.071 30 20 IKED N#Cc1cccc(COc2ccc(NCC(=O)Nc3ccc(F)c(F)c3)cc2Cl)c1 728053267 YUVOXWYEHRXGTN-UHFFFAOYSA-N 427.838 5.119 30 20 IKED C#Cc1cccc(N(Cc2ccco2)C(=O)CSCc2cc(-c3cccs3)on2)c1 728182210 BWVPWZOIEUWUOE-UHFFFAOYSA-N 434.542 5.444 30 20 IKED COc1ccccc1NC(=O)[C@@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(C)C 728669116 JPMVHDUOLLHVSE-DEOSSOPVSA-N 444.487 5.179 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)C[C@@H](c1ccccc1)C(F)(F)F 728766584 CNJKQODOFYHIQX-CABCVRRESA-N 438.833 5.041 30 20 IKED N#C[C@@H]1C(CN(Cc2ccccc2Cl)C2CCCC2)=CC(=O)n2c1nc1ccccc12 729478906 LXGKMNYKXIEUPS-HXUWFJFHSA-N 430.939 5.322 30 20 IKED Cn1c([C@H](C#N)C(=O)[C@@H](Sc2ccccc2Cl)c2ccccc2)nc2ccccc21 730072779 YKXHCVQPAFIJBZ-HXOBKFHXSA-N 431.948 5.937 30 20 IKED O=C1/C(=C\c2cccc([N+](=O)[O-])c2)CC/C1=C\c1ccc(OCc2occc2C(=O)O)cc1 730949687 ZOYBTPPCTMSUJM-LOEKEGPCSA-N 445.427 5.295 30 20 IKED N#C[C@H](NC(=O)c1csc(COc2ccc(F)cc2)n1)c1ccc(Cl)c(Cl)c1 731645192 HHLOQGNLWQMECT-INIZCTEOSA-N 436.295 5.163 30 20 IKED C=CCn1c(-c2ccccc2F)nn(CN(C)[C@@H]2CCCc3nc(C)sc32)c1=S 732189757 SWNHIKCYCTZGKV-GOSISDBHSA-N 429.590 5.138 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 732377573 RBBGHXZDVKJFQO-SFHVURJKSA-N 444.487 5.128 30 20 IKED C#Cc1cccc(NC(=S)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)c1 733211741 HOJSRMKYSOBTRU-UHFFFAOYSA-N 431.414 5.822 30 20 IKED C#CCN(C(=O)Nc1ccc(SC)cc1)[C@@H]1CCOc2ccc(Br)cc21 733616879 GVKHSWMHVAMKAK-GOSISDBHSA-N 431.355 5.162 30 20 IKED CCc1cccc2c(C3CCN(C(=O)NCc4cccc(O[C@@H](C#N)CC)c4)CC3)c[nH]c12 733806002 VEICPUWRUFHLFP-JOCHJYFZSA-N 444.579 5.500 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=NNc1cccc(C(F)(F)F)n1 739421643 NVVSLKSISPULRD-UHFFFAOYSA-N 428.245 5.406 30 20 IKED Cc1ccc(C(=O)OCc2cc(Cl)ccc2OCC#N)cc1NC(=O)OC(C)(C)C 745455082 WVJWZAATQRVAMR-UHFFFAOYSA-N 430.888 5.255 30 20 IKED Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1cc(Br)c(O)c(Br)c1 746346227 MIEDCPORZZMXQU-WAYWQWQTSA-N 442.151 5.208 30 20 IKED C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 746660273 QROYCJOAYBYRAZ-FDDCHVKYSA-N 427.504 5.214 30 20 IKED COc1ccc(CNC(=O)N(Cc2ccco2)Cc2cc3cc(C)ccc3o2)cc1C#N 746774839 CUALGQPXYMYUCN-UHFFFAOYSA-N 429.476 5.127 30 20 IKED N#Cc1ccccc1CN(C(=S)Nc1ccc(OC(F)F)c(Cl)c1)C1CCCC1 747707237 XWTMVPJHOTWZCO-UHFFFAOYSA-N 435.927 5.955 30 20 IKED CSc1ccc2c(c1)CC/C(=C/c1csc(N(C(C)=O)c3ccc(F)cc3)n1)C2=O 748149143 ZNGJYJANCGUIPB-WJDWOHSUSA-N 438.549 5.901 30 20 IKED Cc1nc(SCC(=O)Nc2ccc(N3CCc4sccc4C3)cc2)c(C#N)c(C)c1C 748650278 WPNVLPWNFJAHRU-UHFFFAOYSA-N 448.617 5.234 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\Cc3c(F)ccc(F)c3C2=O)cs1 749582580 PEDSLXVAKAMDMQ-XYOKQWHBSA-N 430.863 5.582 30 20 IKED Cc1sc2nc(CCC(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)nc(O)c2c1C 750399022 YNFOFMJHLTUIEQ-GFCCVEGCSA-N 442.953 5.086 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2F)cs1)c1ccc(F)cc1F 752881106 JDGHKWAQSXXPIK-CLTKARDFSA-N 447.394 5.049 30 20 IKED COc1cccc(NC(=O)/C(=C/c2cnc(-c3ccccn3)s2)C(=O)c2ccccc2)c1 753140263 AFWKJSATRICJFQ-RCCKNPSSSA-N 441.512 5.119 30 20 IKED N#Cc1ccccc1N1CCC(NC(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)CC1 754058307 HAUAOZZQHFUDHL-UHFFFAOYSA-N 444.362 5.003 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)C[C@H](O)c1ccccc1 758600643 BUTLJZRHUGYTIK-DFBJGRDBSA-N 429.520 5.079 30 20 IKED O=C(/C=C\c1cc(Br)cc(C(F)(F)F)c1)c1ccc(N2CCOC2=O)cc1 759076647 OCKSWHOCBOIVDL-BHQIHCQQSA-N 440.215 5.321 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1/C=C\C(=O)c1cc(Br)ncc1F 762421886 KUNNTNJETPDNAE-FPLPWBNLSA-N 434.696 5.086 30 20 IKED COc1ccc(C[C@@H](C)CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC 762941052 WROIHGDRVBCQFF-DVECYGJZSA-N 443.547 5.360 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N3CCC(O)(c4ccccc4Cl)CC3)c2)cc1 765618659 CPNYZFJFARBNRO-UHFFFAOYSA-N 431.923 5.079 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(-c2ccco2)s1 766257978 SVAIAUCIQPLEMH-QGZVFWFLSA-N 428.469 5.762 30 20 IKED CC(C)(C#N)c1ccccc1COC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 768008699 VUQWBCNQHGMARL-UHFFFAOYSA-N 443.528 5.526 30 20 IKED COc1cc(C(=O)/C=C\c2ccc(SCc3ccccc3)cc2)ccc1S(C)(=O)=O 771861139 VCNDOMLVTKEPMZ-UVTDQMKNSA-N 438.570 5.287 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 772117805 MMVYYQKQUXLSCA-HKUYNNGSSA-N 439.581 5.185 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(CC(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1 772403620 FUELDNSNKHWACY-SFHVURJKSA-N 434.323 5.264 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc(Cl)c(Cl)c2Cl)ccc1OC 772986644 PTSJWOJBPYCXAT-OCCSQVGLSA-N 427.759 6.187 30 20 IKED C[C@@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cccc(Cl)c1F 775142097 PWNCODGZYMFUAJ-CYBMUJFWSA-N 443.862 5.120 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)OC(C)(C)C 775336434 QXEXXFZTPYOIFD-ZHALLVOQSA-N 446.617 5.095 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)c4cccnc34)n2)cc1 780311916 GSELWCUZGIDBRQ-QGZVFWFLSA-N 433.920 5.575 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 780676922 AXJXDIKRQQMZRO-AWEZNQCLSA-N 426.929 5.119 30 20 IKED CCOC(=O)C1C/C(=C/c2ccc3cnccc3c2)C(=O)/C(=C/c2ccc3cnccc3c2)C1 782325927 DGFLFSLXYOWXCS-KGRJIBJCSA-N 448.522 5.792 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(C(F)(F)F)cc3)n2)cc1 783072786 VHAFRFBSFOIONN-FZKQIMNGSA-N 446.450 5.481 30 20 IKED Sc1nnc(SCc2ccccc2)n1N=Cc1cc(Br)c(Cl)s1 790149698 OPFZEWSJDSSBIZ-UHFFFAOYSA-N 445.820 5.219 30 20 IKED CN(C)C(=O)c1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)cc1 792924875 PUOKDNHIXPZPPP-XNTDXEJSSA-N 432.907 5.190 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)Cc2csc(COc3ccc(Cl)cc3)n2)s1 797571105 NURFDQXLALIHSZ-INIZCTEOSA-N 445.997 5.548 30 20 IKED CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1C 799211324 KUYMOIHZZMYBTF-INIZCTEOSA-N 436.364 5.282 30 20 IKED O=C(Nc1cccc(/C=C2\C[C@@H](C(=O)O)c3ccccc3C2=O)c1)c1ccccc1Cl 806559379 AQGXKLXJOONCQT-CZIOWHBQSA-N 431.875 5.431 30 20 IKED CS[C@H]1CC[C@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)C1 806791979 JQAJZQQECPQKMR-KBPBESRZSA-N 440.516 5.030 30 20 IKED CCOc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)cs2)cc1 813216188 OHNOMNHBVRPJIB-KRWDZBQOSA-N 431.439 5.042 30 20 IKED CC(C)(C)OC(=O)Nc1cc2c(cc1NCc1cccc(OCCCC#N)c1)OCO2 816602814 NPEZRSNVPFIRCK-UHFFFAOYSA-N 425.485 5.057 30 20 IKED N#C[C@H](C(=O)CCc1nc(-c2ccsc2)no1)c1nc2cc(C(F)(F)F)ccc2s1 915103822 GHJICTIVZYNYGK-GFCCVEGCSA-N 448.451 5.236 30 20 IKED CC(C)OC(=O)C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 915352947 PIGTTWDFZREWKF-LOSJGSFVSA-N 441.531 5.547 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccccc1OC(F)F 916272664 HDIBELVLKGAVSC-UHFFFAOYSA-N 445.878 5.570 30 20 IKED COc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 916277888 VSVIJOJXEMPVHB-UHFFFAOYSA-N 445.331 5.691 30 20 IKED CC(=O)N(c1ccccc1)c1nc(C=NN(Cc2ccccc2)Cc2ccccc2)cs1 916367672 KFGKIISQSJEUBK-UHFFFAOYSA-N 440.572 5.864 30 20 IKED CSc1cccc(N2C[C@H](C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)CC2=O)c1 916974180 FWIXSRMRLYDOHR-XLIONFOSSA-N 447.585 5.070 30 20 IKED CCc1ccccc1N1C[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1=O 916975672 DFGCXOWOZVSXRC-IEBWSBKVSA-N 449.963 5.255 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COc2ccc(Cl)c3cccnc23)cc1 917119397 CDKJXOWWPTUGEI-NRFANRHFSA-N 427.891 5.561 30 20 IKED Cn1cc(/C=C\C(=O)c2ccc(OCc3nccn3C)cc2)c(-c2cc3ccccc3o2)n1 920068013 GPLBTCLWINSUAG-XFXZXTDPSA-N 438.487 5.042 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCC(=O)c3ccc4ccccc4c3)n2)cc1 920141644 LADYCWOOCCNPTO-JOCHJYFZSA-N 435.508 5.674 30 20 IKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccoc4Cl)cc3)CCC2)c1 1790206574 CEWAVSCKGHEARA-UHFFFAOYSA-N 433.895 5.175 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)c(F)c3)cc2)CCC1 1790617807 JOFURHCUTLHWIU-HNNXBMFYSA-N 445.922 5.028 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3c(C(C)C)nn4ccccc34)CCC2)cc1 1791582801 GCJLESMCMICADM-UHFFFAOYSA-N 442.563 5.009 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2CCC[C@H]4CCCC[C@@H]42)C3)c1 1803681791 YLXLMQJHNQDXPI-JVYHVUEVSA-N 447.623 5.172 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C(F)(F)F)CCC2)CC1 1828825421 VSZNFUHCYCHKAJ-UXHICEINSA-N 440.550 5.107 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(OCC)c2)CC1 1828827354 LRUPFJKUQARFNW-LOSJGSFVSA-N 438.612 5.087 30 20 IKED CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)CCCC1 1829685490 HZLVOIUNHXPLLH-NRFANRHFSA-N 442.003 5.025 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2)CC1 1829997592 JZBSZEBKRVEEST-UWJYYQICSA-N 436.518 5.151 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cccc(F)c3s2)CC1 1831369620 GJPPUZQTJIVEAS-UTKZUKDTSA-N 442.600 5.486 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832631957 JSSDYTFENLWVSJ-LPPUWEFUSA-N 447.623 5.315 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccccc2CC)c1 10174553 TYOSUBXUVOLKAL-UHFFFAOYSA-O 425.524 5.428 30 20 IKED C=CCn1c(SCCOc2cccc(Br)c2)nnc1-c1ccccc1OC 10242560 OQUVQNHYRUMIFX-UHFFFAOYSA-N 446.370 5.073 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(C(C)C)cc2)[n+]2ccccc2CC)cc1 11265398 FPGYDHBNFGLSDV-UHFFFAOYSA-O 431.625 6.273 30 20 IKED C=CCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1cc(OC)c(OC)c(OC)c1)CCC2 14221836 QZPARYTVZUSSPN-NBVRZTHBSA-N 444.531 5.053 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccoc1C 21668472 RPUUKMSLRJNMTR-ZDUSSCGKSA-N 436.459 5.171 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1-c1ccc(F)cc1 24014713 LVAIKNRRQXLFNO-CQSZACIVSA-N 430.936 5.351 30 20 IKED C=C(C)CN/C(S)=C(/C(=O)c1ccc2c(c1)CCCC2)[n+]1ccc(C(CC)CC)cc1 27311095 FLGXBNQTEULWDJ-UHFFFAOYSA-O 435.657 5.861 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(COCc2ccc(OC)cc2)c1 63394709 KYBRCITXBPSUHQ-UHFFFAOYSA-N 441.531 5.504 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1 97993018 PUCWMQPOZPMPRH-DHDCSXOGSA-N 431.488 5.008 30 20 IKED N#CCCn1cc(CNCc2ccc(Oc3cccc(F)c3)nc2)c(-c2ccccc2)n1 237766610 QJAYZIURENLGHM-UHFFFAOYSA-N 427.483 5.080 30 20 IKED C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 303659862 HCQBHYLPQQOXTF-VIFPVBQESA-N 447.301 5.633 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccccc1OC1CCC1 303742052 ZKOJNICREHTWLJ-UHFFFAOYSA-N 441.531 5.699 30 20 IKED CN1CCC[C@H](CNC(=O)c2cccc(SCC#N)c2)[C@H]1c1ccc(C(F)(F)F)cc1 430647115 XOUWMFYPVLWBGR-WIYYLYMNSA-N 447.526 5.134 30 20 IKED Cc1ccc(Sc2nsc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)n2)cc1 430657053 GPHWTARZOHZVIL-UHFFFAOYSA-N 446.561 5.027 30 20 IKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)Nc1cccc(C#N)c1C)CC2 431948504 FLMNXXALBFBUBN-QHCPKHFHSA-N 433.533 5.125 30 20 IKED Cc1nc2cc(Cl)c(NC(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)cc2s1 435182962 VFONFJHKYRYBDG-UHFFFAOYSA-N 441.944 5.037 30 20 IKED CC(C)Sc1ccccc1NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 437344321 JSMQQDIZROUMRF-UHFFFAOYSA-N 445.544 5.215 30 20 IKED C[C@@H](Nc1cccc(Oc2ccccn2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 439649514 PRQOBCHOUITUQX-MRXNPFEDSA-N 432.549 5.515 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CC(Cc3ccc(F)c(F)c3)C2)cc1 443687321 ZGMLYXKPKYBZBQ-UHFFFAOYSA-N 434.511 5.443 30 20 IKED CC(C)CNC(=O)c1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1Cl 444040384 QTRSHVOOHNJJHF-UHFFFAOYSA-N 436.943 5.237 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCCC(C#N)(c1ccccc1)c1ccccc1 444689593 ONOPLEARVBKDTA-GOSISDBHSA-N 440.513 5.613 30 20 IKED CCOc1cccc2[nH]cc(Cc3noc(-c4ccc(Oc5ccc(C#N)cn5)cc4)n3)c12 445761365 SKJOBRRPWJDPCX-UHFFFAOYSA-N 437.459 5.266 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(c3nc(C(F)(F)F)ccc3C#N)C2)n1 447690045 AQODCWJQGZZNSK-HNNXBMFYSA-N 444.482 5.488 30 20 IKED N#CCC[C@@H](NC(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1ccccc1 464309946 JEQYJLXILAHIJK-WOJBJXKFSA-N 434.540 5.671 30 20 IKED C[C@@H](NC(=O)Nc1ncccc1OCCCC#N)c1ccc(-c2cccc(C#N)c2)cc1 466619785 RCRAAFMAGKXNEQ-GOSISDBHSA-N 425.492 5.186 30 20 IKED CC(C)(C)c1ccc(Oc2ccc(C(=O)N3CCC[C@]4(CCCCO4)[C@@H]3C#N)cn2)cc1 468647946 HXFFZADHBOFBHG-BKMJKUGQSA-N 433.552 5.239 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1ccccc1F 468654889 CZVQHTQFRZMODS-MRXNPFEDSA-N 435.528 5.790 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@H]3CCc4c(F)cc(Br)cc43)ccc21 468958893 KPMSNUZLBMSIGC-FQEVSTJZSA-N 442.332 5.271 30 20 IKED N#Cc1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 469049451 VLTPNHLARCHESV-UHFFFAOYSA-N 433.611 5.010 30 20 IKED CCC(CC)[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1 470561623 VWUTWFAKTWPGNU-VWLOTQADSA-N 432.568 5.569 30 20 IKED N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 470793858 FZQAOILBCMMXCZ-INIZCTEOSA-N 426.423 5.022 30 20 IKED Cc1nc2ccccc2n1C1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 477350690 MTBBTGPKPABSIV-UHFFFAOYSA-N 435.531 5.437 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC(OCc2cccc3ccccc23)C1 478796660 QJLCFMPDHQKZLZ-GOSISDBHSA-N 431.561 5.667 30 20 IKED C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 482442708 XKOQSXIYQGDGLQ-SUZMYJTESA-N 434.327 5.264 30 20 IKED C=CCN(CC1CCCCC1)C(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 482717680 AEAKTHVHESUUIX-UHFFFAOYSA-N 447.373 5.533 30 20 IKED N#C[C@@H](C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1cnc2ccccc2n1 483196301 LHMQLBFABFGYBK-LJQANCHMSA-N 426.457 5.179 30 20 IKED CN1CC[C@H](NC(=O)c2ccccc2Sc2ccccc2C#N)[C@@H]1c1ccc(F)c(F)c1 485723997 QQHTXVIJDQEOHU-URXFXBBRSA-N 449.526 5.163 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(CN2CCSCC2)c1 489451065 JDFVGBMGAAIUOW-UHFFFAOYSA-N 445.613 5.511 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N(C)Cc3cccc(C#N)c3)cc12 498495410 OYZPUYBFHMGPFO-UHFFFAOYSA-N 434.952 5.252 30 20 IKED CC(C)n1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C1CC1 498662875 VBVZRQBCNRFPKK-HNNXBMFYSA-N 445.375 6.262 30 20 IKED CCOc1c(Br)cc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)cc1OC 499321255 ZBCUKDZBLOEHAT-UHFFFAOYSA-N 431.330 5.031 30 20 IKED CC(=O)N1CCc2cc(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)ccc21 502623767 TXJAXBNECNGIHH-UHFFFAOYSA-N 426.476 5.212 30 20 IKED Cc1nc(-c2cccc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c2)n[nH]1 503367026 NKRAUXAWSKDSJI-UHFFFAOYSA-N 440.482 5.025 30 20 IKED N#Cc1ccc(OC[C@H](O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1 508438318 MHNIGVQOVRJZNU-HNNXBMFYSA-N 439.587 5.270 30 20 IKED C[C@@H]1C/C(=C\c2ccco2)c2nc3ccccc3c(C(=O)N3CCC(C)(C#N)CC3)c2C1 509415278 ISENIBGIJRADDY-CQGUWYRNSA-N 425.532 5.717 30 20 IKED CC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 509671846 RECCKXBAOAKFOK-UHFFFAOYSA-N 445.544 5.220 30 20 IKED CC(C)C(=O)Nc1ccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 510518868 RIWGCIDLLWKENE-UHFFFAOYSA-N 428.492 5.267 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2c(CC)oc3ccccc23)cc1 511012369 FZEQMFHYXFXDQJ-UHFFFAOYSA-N 431.536 5.473 30 20 IKED N#Cc1ccccc1CSCCNC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 514539203 ROIIUOIODFVWBG-UXHICEINSA-N 433.602 5.267 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2sccc2Br)cc1Cl 514575957 RZDAIRLBBYWJBR-OAHLLOKOSA-N 431.742 6.072 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3C[C@H](c4ccccc4)[C@H]4COCC[C@@H]43)cc2)c1 515157960 UCVQUKRYZRZWAQ-CYXNTTPDSA-N 439.515 5.387 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cn(-c2ccc(Cl)cc2)nn1 516230332 AZLLYBFBIYXRFJ-UHFFFAOYSA-N 429.867 5.145 30 20 IKED CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 517188177 RXYQPGZASIQPDI-HXUWFJFHSA-N 437.952 5.044 30 20 IKED C=CCN(C(=O)[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@@H](C)O2)c1nc2c(s1)CCCC2 517399499 GVSRBMDERITSFT-SZVBFZGTSA-N 438.593 5.067 30 20 IKED COc1ccc(C#N)cc1NC(=O)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1 518046931 WDOLNYSTFFWXRP-OAQYLSRUSA-N 427.287 5.632 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(SC)n3-c3ccccc3)n2)cc1 518516791 YRCCQSMEKSEHHD-SFHVURJKSA-N 446.557 5.216 30 20 IKED Cc1csc(Sc2ccc(NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)c(C)c2)n1 518722485 LUDRPKWFIBCGMR-UHFFFAOYSA-N 436.606 6.225 30 20 IKED C=CCN(C(=O)Nc1ccc(C(C)C)cc1C(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 518752137 JCUYLVDUJCTEFL-IBGZPJMESA-N 432.572 5.690 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)Cc1cccc(Br)c1 518755341 GCCAJELGLQIWCM-CABCVRRESA-N 432.387 5.596 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Br)c(F)c3)n2)cc1 520075489 IHUDUGTUHFUDSK-AWEZNQCLSA-N 426.270 5.073 30 20 IKED C=C(C)COc1cccc(NC(=O)NC2(c3cccc(Br)c3)CCOCC2)c1 521652232 FHDDTKKQRITHIY-UHFFFAOYSA-N 445.357 5.231 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1)C(C)C 522579970 UQTZWIPSGHCXMI-UHFFFAOYSA-N 427.504 5.360 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)cc1 523013897 QEGSFZLKISWVPM-JOCHJYFZSA-N 443.522 5.567 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 523343331 IPCLMMOLOXXYJR-UHFFFAOYSA-N 431.920 5.626 30 20 IKED CC(C)Oc1ccccc1[C@H](C)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 523811318 ZKZZUURZZVQCFZ-FQEVSTJZSA-N 445.538 5.958 30 20 IKED N#Cc1cccc(-c2nnc(CSc3nnc(-c4ccc(F)cc4)c4ccccc34)o2)c1 525109185 UOQRCYPWBUOOSI-UHFFFAOYSA-N 439.475 5.650 30 20 IKED Cc1cnccc1N1CCC(C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)CC1 530727334 IEAIUSKKVAGEEB-UHFFFAOYSA-N 442.538 5.159 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC([C@@H](O)C(F)(F)F)CC1)c1ccc(C(F)(F)F)cc1 533547089 GQCORDKRSCCKKG-IAGOWNOFSA-N 438.412 5.058 30 20 IKED N#CC1(NC(=O)c2cccc(CSc3c(Cl)cccc3Cl)c2)CCSCC1 533753641 KNGIMFPCHWYJKL-UHFFFAOYSA-N 437.417 5.805 30 20 IKED C=C[C@@H](CC(=O)N[C@@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1 533956803 OAPMENBMDQOTTF-IDISGSTGSA-N 447.600 5.218 30 20 IKED C=C[C@H](CC(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1)c1ccccc1 535393432 GKVXOLXCAWWLOI-OAHLLOKOSA-N 440.330 5.939 30 20 IKED N#CCCn1cc(CNCCOCc2ccc(Cl)cc2Cl)c(-c2ccccc2)n1 537383811 BYUGIGUMCBWOQR-UHFFFAOYSA-N 429.351 5.077 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)c(OCCOC)c(Cl)c1 539131442 LHSYZSPWXSBUFP-UHFFFAOYSA-N 436.339 5.334 30 20 IKED C[C@@H](NC(=O)C1(c2cccc(F)c2)CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 541109101 BRPFANUSXQFNQN-LJQANCHMSA-N 428.507 5.290 30 20 IKED C[C@H](NC(=O)CCCc1nc(-c2cccs2)no1)c1ccc(-c2cccc(C#N)c2)cc1 543857653 FRJDQDYXBGKLMC-KRWDZBQOSA-N 442.544 5.537 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H](OCc2c(C)noc2C)C1 545870653 RSOITMGVNUFKEB-JOCHJYFZSA-N 446.507 5.087 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 554213251 CDSLSMKRFCVGFE-FGTMMUONSA-N 427.595 5.113 30 20 IKED Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)c1 560283889 XOLRACRLDURTGP-DEOSSOPVSA-N 427.504 5.277 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccncc1OCc1ccccc1 562162208 RNKKENYZLFJTEV-SFHVURJKSA-N 432.549 5.234 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CC4(CCC4)[C@@H]3C3CC3)s2)c(C(F)(F)F)c1 576269368 APXWCJPNVNBCSV-SFHVURJKSA-N 446.498 5.421 30 20 IKED COCCC[C@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 581388056 ZTUSTGHAXQOIQR-HSZRJFAPSA-N 437.971 5.221 30 20 IKED CC(C)(CNC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1 590805782 VYBHQUBPJMUDNH-CHWSQXEVSA-N 428.392 5.312 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1sc2c(c1C#N)CCC2 591711844 DZLMOWURQOYKHR-UHFFFAOYSA-N 433.480 5.812 30 20 IKED C=CCn1c(SCC(=O)C2CC2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 597490773 XJUUZKDNNQTLAE-UHFFFAOYSA-N 440.572 5.726 30 20 IKED C=CC1CCN(C(=O)c2ccc(Oc3ccc(C(=O)N4CCC(C=C)CC4)cc3)cc2)CC1 599665887 MDSSJIBTRKPQHO-UHFFFAOYSA-N 444.575 5.555 30 20 IKED C=CCOc1ccccc1CNC(=O)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C 600868788 RJEKSGXDUIVFGM-MRXNPFEDSA-N 425.529 5.383 30 20 IKED C=CCN(C(=O)CCCc1ccccn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 603039368 BGMGQCCOSGZWOZ-UHFFFAOYSA-N 432.376 6.054 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1nc(-c2ccccc2)oc1C 603532711 MCYPCJOOYXVPRW-UHFFFAOYSA-N 439.490 5.745 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)s1 603622147 MDNQGNFDVGTWNC-UHFFFAOYSA-N 432.530 5.420 30 20 IKED CCCOc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1OC 603691403 GIQWPABIWMIFBD-KRWDZBQOSA-N 446.507 5.426 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3cccc(OCCCC#N)c3)c12 603972291 HOURVWKGKLXXPS-UHFFFAOYSA-N 433.556 5.553 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)c1c(Cl)cccc1Cl 604566960 CMYCHORNDJPYQH-CQSZACIVSA-N 426.303 6.103 30 20 IKED C=CCN(Cc1cccs1)C(=O)c1ccc(NC(=O)CSc2cccs2)cc1 604936384 IHXZJULQQIAHHJ-UHFFFAOYSA-N 428.604 5.369 30 20 IKED Cc1ccc(NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c(OCC(F)(F)F)c1 605031054 NDKQNLBNCSVPJK-UHFFFAOYSA-N 438.290 5.285 30 20 IKED C=CCN1CCC(NC(=O)Nc2ccc(-c3nc4cc(F)ccc4n3C(C)C)cc2C)CC1 607404355 OBMKDPFNCQPZDL-UHFFFAOYSA-N 449.574 5.504 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 608883361 OWSLJBMUBHJERE-UHFFFAOYSA-N 442.397 5.223 30 20 IKED CCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1cccc(Br)c1 609056975 ZMRMVHWXUBKIGT-UHFFFAOYSA-N 425.282 5.159 30 20 IKED Cc1ccccc1-c1noc(CSCC(=O)Nc2ccccc2SC[C@@H](C)C#N)n1 609389037 VVFXSDMNQAGTMF-HNNXBMFYSA-N 438.578 5.169 30 20 IKED CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C(C)C)cc1 609400069 GOVSLPUDCZJIDS-MBSDFSHPSA-N 437.609 5.658 30 20 IKED CN(C)[C@@H](CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccsc1 609731198 PXXWKSHXYZMPBE-FQEVSTJZSA-N 425.941 5.098 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1OCCN1CCCC[C@H]1C 609816206 SGLGFVMYUZPDCY-VQTJNVASSA-N 437.609 5.444 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N[C@@H](C#N)c3ccccc3Br)c2)cc1 609993925 CSJKIQRXVIQOSE-NRFANRHFSA-N 431.293 5.059 30 20 IKED N#Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)ccc1OCC(F)(F)F 610153163 UYRCAHNIADZPJJ-CABCVRRESA-N 444.331 5.140 30 20 IKED C[C@H](NC(=O)c1cccnc1Sc1ccc(Br)cc1)c1cccc(C#N)c1 610362683 TZJGRNWQQPNNRS-AWEZNQCLSA-N 438.350 5.358 30 20 IKED N#CCn1c(C(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)cc2ccccc21 619451063 ZQHJSIXNZOPAHZ-UHFFFAOYSA-N 426.423 5.559 30 20 IKED C=CCN(C(=O)c1cc(C(C)=O)cn1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 676440301 KPFPYZVSRKGRCR-UHFFFAOYSA-N 434.348 5.491 30 20 IKED COc1cc(C=NN=C2c3ccccc3-c3ccccc32)ccc1OC(=O)c1ccncc1 725798588 YJBXKEXEOLOVRA-UHFFFAOYSA-N 433.467 5.161 30 20 IKED Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)c4ccccc4OCC#N)cc3s2)s1 726537877 SLUNIJJDCWFKRF-UHFFFAOYSA-N 448.529 5.073 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C)c(C)c2)[n+]2ccc(C(C)(C)C)cc2)c1 726573078 ZIQUXEAIKOLXJY-UHFFFAOYSA-O 441.620 6.193 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\Oc3c(cccc3C(C)(C)C)C2=O)cs1 727975438 ULERBHJAEJYHNQ-BKUYFWCQSA-N 432.545 6.050 30 20 IKED COC1CCN(c2ccc(NC(=S)Nc3ccccc3C#N)cc2C(F)(F)F)CC1 727981123 CRQRKDHXPCQZRS-UHFFFAOYSA-N 434.487 5.001 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 728390041 DWQPNBVFYGLIOG-XZOQPEGZSA-N 425.488 5.440 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NC[C@H](O)c3ccccc3C(F)(F)F)c2)cc1 729570900 NPSGAGOHQCFJBH-NRFANRHFSA-N 441.409 5.224 30 20 IKED CCc1cccc2c(CC(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c[nH]c12 731767790 KQRLVDLECKGCNH-MRXNPFEDSA-N 427.451 5.778 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2Cl)o1)c1nc(-c2ccncc2)cs1 734083727 QEFQENMNOORKAU-INIZCTEOSA-N 434.908 5.323 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CCCc3ccc(Cl)cc3C2=O)cs1 735231957 FMOVRTUVYKTUTF-WJDWOHSUSA-N 440.927 6.223 30 20 IKED C#Cc1cccc(NC(=S)NC[C@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 735417848 JNYSJMBJBBVXLW-WIYYLYMNSA-N 431.527 5.056 30 20 IKED Cc1cc(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)c(C)n1-c1ccc(C#N)cc1 742943228 NAZGXDKFRLWQCC-HNNXBMFYSA-N 445.910 5.160 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3cc(-c4cccs4)nc4ccccc34)o2)c1 744492162 JXUMQJXRPABNKT-UHFFFAOYSA-N 438.468 5.242 30 20 IKED Cc1ccccc1-c1noc([C@H](C)OC(=O)c2occc2COc2cccc(C#N)c2)n1 746071553 IVUQKIHHCKKZCG-INIZCTEOSA-N 429.432 5.007 30 20 IKED COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3ccc(SC)c(OC)c3)c2)cc1 747614296 AUKYIMYPOYXPAM-QPEQYQDCSA-N 433.529 5.574 30 20 IKED C=CCC[C@H](NC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1)c1ccc(C(F)(F)F)cc1 750447936 XXFRFJVZCBVKHZ-AABGKKOBSA-N 436.474 5.603 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(Cl)c(Br)c1 753533731 OLTOTGBYZDGBBV-HNNXBMFYSA-N 433.733 5.188 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1 754405571 YVHYJDYMAYVIBT-DYESRHJHSA-N 436.508 5.279 30 20 IKED N#C[C@H](C(=O)Cc1c[nH]c2cccc(Br)c12)c1nc2cc(Cl)ccc2s1 754532082 QGRZSSBNNSESQS-GFCCVEGCSA-N 444.741 5.612 30 20 IKED C#CC[C@H](NC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1ccccc1 757019605 PJQLTZQJIXUGOB-MHZLTWQESA-N 434.543 5.162 30 20 IKED C#CC[C@@H](NC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccsc1)c1ccccc1 757760533 JBCHTYYUYMXRHY-HSZRJFAPSA-N 448.588 5.284 30 20 IKED C=CCOc1ccc(/C=C\C(=O)O[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cc1OC 758911902 PQDXFDHBCAEVID-DVESRUBUSA-N 434.492 5.244 30 20 IKED Cc1ccc(N(CCC#N)C(=O)CNc2cccc(C(=O)Nc3ccccc3)c2C)cc1C 759772402 IQTUHJCENTUVCB-UHFFFAOYSA-N 440.547 5.223 30 20 IKED CCS(=O)(=O)c1ccc2oc(/C(Cl)=C/c3cccc(OCCCC#N)c3)nc2c1 764437172 IAZSZRPKMRKVEF-AQTBWJFISA-N 430.913 5.041 30 20 IKED COC(=O)[C@@H](Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(Br)c1 766736610 ZBLWSELHCORBSG-YADHBBJMSA-N 435.321 5.431 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H]2CCCOc3ccc(Br)cc32)ccc1OC 772978118 DPNYUWPKDKZVNG-IEBWSBKVSA-N 445.357 5.142 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H](C)c2csc(-c3csc(C)n3)c2)ccc1OC 772979800 MWKVXPQPHDSPGM-RDTXWAMCSA-N 427.595 5.720 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H]2CCCOc3c(Br)cccc32)ccc1OC 772980776 SZJRYNYVQXHQBH-LPHOPBHVSA-N 445.357 5.142 30 20 IKED C[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1ccccc1Oc1ccccc1 775332918 PQJNCJUCCXDIOJ-XMSQKQJNSA-N 434.499 5.367 30 20 IKED CC(=O)N1C/C(=C\c2nc(-c3cc(Cl)ccc3Cl)cs2)C(=O)c2ccccc2C1 778519676 JZSXKAGISYFXOG-OVCLIPMQSA-N 443.355 5.745 30 20 IKED Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)OCC2(C#N)CCOCC2)cc1 780547738 SMFYWIPTQHKDIS-UHFFFAOYSA-N 432.545 5.192 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1 782581192 HTSXZBPVHPPGDV-MRXNPFEDSA-N 447.800 5.283 30 20 IKED CCCc1c(NC(=O)N2CCC(c3ccc(F)cc3)CC2)cnn1-c1cccc(C#N)c1 784469656 UGYKRWZHLSVWSC-UHFFFAOYSA-N 431.515 5.247 30 20 IKED CSc1cc(C(=O)[C@@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)ccc1F 787047557 CWSKEOQHGIFDSR-QMTHXVAHSA-N 425.312 5.054 30 20 IKED COc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cnc1Br 788176023 RFGZTCOIABFGNE-UHFFFAOYSA-N 438.281 5.077 30 20 IKED N#C[C@H](C(=O)Cc1cccc(OCc2ccccc2Cl)c1)c1cnc2ccccc2n1 792102316 DXHIPPUZTLWCOS-FQEVSTJZSA-N 427.891 5.281 30 20 IKED C=CC[C@H](OC(=O)[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)c(Cl)c1 797554143 QCZSQLXCFAPKRT-YJYMSZOUSA-N 427.349 5.361 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)NCC2CCC(C#N)CC2)c(C(F)(F)F)c1 799397478 HAVINSPIIPAORZ-UHFFFAOYSA-N 440.466 5.504 30 20 IKED C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 806272246 DBBRSMSIJRBMIU-FQEVSTJZSA-N 431.923 5.348 30 20 IKED C[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1ccc(C(F)(F)F)nc1Cl 816764529 WQQNZAJWDBEYHC-ZDUSSCGKSA-N 429.829 5.783 30 20 IKED N#C[C@@H](N/C=C1/C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)c2ccccc21)c1ccccc1 912753048 LLWDIBUPVPFJHW-ONQWYEKWSA-N 447.416 5.088 30 20 IKED C=CCn1c(SCC[S@@](=O)c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 915654954 MDFJIXIGIXOJNO-GDLZYMKVSA-N 425.623 5.329 30 20 IKED CC[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1 915752672 MLDYULMCQOJZMP-XZOQPEGZSA-N 431.923 5.201 30 20 IKED CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=Nc4c(C)cccc4C)NC3=O)o2)cc1 915849023 NIRZKKVSMBLTOR-KGENOOAVSA-N 446.528 5.632 30 20 IKED O=C(O)CCOc1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc1 915982474 DJKAJVAGGHCRJC-SILNSSARSA-N 429.497 5.573 30 20 IKED COc1cc(C(=O)/C=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1OC(F)F 916126635 HPWRHMXWALCONQ-TWGQIWQCSA-N 432.423 5.091 30 20 IKED CCCOc1c(Cl)cc(C=Nn2c(S)nnc2-c2ccccc2F)cc1OCC 916320097 ZKVVSWOCUOSGBW-UHFFFAOYSA-N 434.924 5.096 30 20 IKED Cc1ccc(Cn2cc(C(=O)Nc3cccc(OCC#N)c3)c(-c3ccc(C)cc3)n2)cc1 916409633 JKXJWAPQZCQPRY-UHFFFAOYSA-N 436.515 5.370 30 20 IKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)COc1ccc(Cl)cc1C1CCCCC1 916934903 VECIMDJVHXBCAR-LJQANCHMSA-N 440.927 5.123 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(NC(=O)C3CCCCC3)c2)cc1 916950641 VIJLAHQOVUVPEI-HOYKHHGWSA-N 445.563 5.680 30 20 IKED COc1cccc(COCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 916997468 XWRNAXOOEVCGMV-KRWDZBQOSA-N 447.343 5.519 30 20 IKED CCOc1cc2c(cc1/C=C/C(=O)[C@H](C#N)c1nc3ccccc3n1C(F)F)O[C@@H](C)C2 917041654 VYOOCUIEEZGHPI-OMAIJTBJSA-N 437.446 5.043 30 20 IKED N#C[C@H](C(=O)COc1ccc2ccccc2c1)c1nc2cc(C(F)(F)F)ccc2s1 917042901 IVHAIPUVNHHUDF-QGZVFWFLSA-N 426.419 5.724 30 20 IKED Cc1ccc(OCc2ccc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)o2)c(C)c1 920110812 WHYQPVDUNMHAEB-QFIPXVFZSA-N 438.483 5.590 30 20 IKED CNC(=O)C[C@H]1SC(=Nc2ccc(C(C)C)cc2)N([C@@H](C)c2ccc(C)s2)C1=O 920172801 KSGRPBVMHXCGQQ-HNAYVOBHSA-N 429.611 5.009 30 20 IKED N#C[C@H](C(=O)COc1ccc2oc3c(c2c1)CCCC3)c1nc(-c2ccncc2)cs1 920265528 PTMWJIVVLDHGBE-LJQANCHMSA-N 429.501 5.085 30 20 IKED N#C[C@@H](C(=O)[C@H](Oc1ccccc1)c1ccccc1)c1nc(-c2c(F)cccc2F)cs1 920807041 WKBUXLSCWWVGNB-MHECFPHRSA-N 446.478 6.085 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)cc2)CCC1 1789150536 AGGMLVVQIRCRAA-RTWAWAEBSA-N 435.955 5.127 30 20 IKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)CCC1 1790278106 GEVJYWMEMPFCAH-INIZCTEOSA-N 446.469 5.044 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3c[nH]c4cc(OC)ccc34)CCC2)cc1 1791244079 LDEGVBWUWIQEAC-GOSISDBHSA-N 445.563 5.065 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccncc1-c1cccc(C)c1 1796462806 LXEWVTSKUNISGZ-NUNAXRQHSA-N 445.607 5.301 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(Cl)cc3F)C2)CC1 1805064699 AMNXDSUNFXBLMR-UHFFFAOYSA-N 434.983 5.316 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2oc3ccccc3c2C)n[nH]1 1818569474 SMCXRYKVQRWCIF-NQIIRXRSSA-N 446.551 5.539 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)[nH]n1 1819554537 GCNFVJJEPCXZOT-OAQYLSRUSA-N 433.556 5.189 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)[nH]n1 1821921570 SIPCEDPENFRIMM-WXOXAHCZSA-N 426.605 5.221 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(C)CCCCC3)n[nH]2)c1 1822337574 YYTIOJAPTYDLFE-XMSQKQJNSA-N 447.583 5.313 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSC2CCCC2)CC1 1828822599 ZNUYCAKHPJKXRS-XZOQPEGZSA-N 432.674 5.050 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 1828832118 ZNGKLONUYBTWJT-KEVKATSASA-N 434.624 5.178 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3[nH]c(C)cc3c2)CC1 1829068899 WPXQTUNSEGTRQF-RUZDIDTESA-N 449.639 5.702 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc(CCCCC)s2)CC1 1831377274 XFLXEEXHOSZDBI-CTNGQTDRSA-N 445.673 5.321 30 20 IKED CCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccccc2CC)cc1 10174270 PPWCOKIGNFNEBS-UHFFFAOYSA-O 448.612 5.297 30 20 IKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)OCc1ccc(C#N)cc1F 11217896 OGGLBOFJSBOQGP-UHFFFAOYSA-N 430.435 5.391 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2)c2ccccc2)nc2ccccc2c1=O 12721616 KYASCAZBIGEPJS-QFIPXVFZSA-N 427.529 5.055 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)NCc1ccc(OC)cc1 22692707 FHGMMHOQELIBDG-UHFFFAOYSA-O 447.624 5.199 30 20 IKED C=CCn1c(SCC(=O)c2ccc[nH]2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 28698770 XVGBOJCZCOEHJP-UHFFFAOYSA-N 439.537 5.062 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1n[nH]c(-c2ccccc2Br)n1 28907260 JUHLOLOAENYKGS-UHFFFAOYSA-N 444.292 5.025 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(C#Cc2ccccn2)c1 46538277 GSQHKDBDNGOFFE-UHFFFAOYSA-N 431.854 5.490 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 63400168 YCNYSXXMILCKIH-RUZDIDTESA-N 434.543 5.569 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 107783105 HNFCUKCYLYHBAA-UHFFFAOYSA-N 444.491 5.009 30 20 IKED Cc1cc(C)n(-c2ccc(CNCc3ccc(N(C)CCC#N)cc3)c(C(F)(F)F)c2)n1 237206696 BYGFMKWFZGOWKL-UHFFFAOYSA-N 441.501 5.148 30 20 IKED CC[C@@H](C#N)Oc1cc(CNc2ccnc3ccc(Br)cc23)ccc1OC 301270224 NLLBTZUEIIQLRY-INIZCTEOSA-N 426.314 5.299 30 20 IKED N#CCc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 410208370 YQIVWJRCTIGMQZ-UHFFFAOYSA-N 434.293 5.020 30 20 IKED CCCn1ccnc1CCCN(C)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 428949110 ABVRTQGWVCRWKT-FQEVSTJZSA-N 429.568 5.167 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 429209832 VXWUYTOXUDNNAQ-BJKOFHAPSA-N 430.552 5.509 30 20 IKED Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3ccc(-c4ccc(OC(F)(F)F)cc4)s3)nc12 429571053 BVSKVDGGAUFQHS-CQSZACIVSA-N 442.422 5.384 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@H](C#N)c1nc2c(C)ccnc2[nH]1 429586584 BPSHWZHOKNUKNA-AWEZNQCLSA-N 449.923 5.032 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c2cnn(Cc3cccs3)c2n1 430638358 FOZDQKAZLYDPKN-INIZCTEOSA-N 435.578 5.094 30 20 IKED N#CCCn1cc(/C=C\c2ccc3c(Cl)cc(Cl)c(O)c3n2)c(-c2ccncc2)n1 432704622 OFUUTAMWYHYRIC-IHWYPQMZSA-N 436.302 5.590 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1cccc(NC(=O)CCN2CCCCC2)c1)c1ccccc1 433174123 JWRGAKPZKSNUFN-XMMPIXPASA-N 447.583 5.058 30 20 IKED N#Cc1ccsc1N1CC[C@H](Sc2nnc(-c3ccccc3)c3ccccc23)C1=O 434796639 QWPSMNQHAQLMCM-IBGZPJMESA-N 428.542 5.128 30 20 IKED C=CCC[C@H](NC(=O)NC1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1)c1ccccc1 435763409 MANTZGMQNYRPOY-DQEYMECFSA-N 433.596 5.178 30 20 IKED N#Cc1csc(C(=O)Nc2ccc(NC(=O)c3cc(Cl)ccc3O)c(Cl)c2)c1 436656384 FZKWUQISLTZTLL-UHFFFAOYSA-N 432.288 5.137 30 20 IKED Cc1ccc(Oc2ccccc2)c(NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)c1 437069952 RWMQMWQSGYATRN-UHFFFAOYSA-N 429.476 5.047 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c2)c1 437887070 CYSKXJSQRLJTOG-RPBOFIJWSA-N 449.514 5.114 30 20 IKED CCCc1c(NC(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)cnn1-c1cccc(C#N)c1 439678041 LWGMHUUCJLZGET-KRWDZBQOSA-N 440.507 5.234 30 20 IKED CSc1ccc(C)c(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 441828133 UEOWPWYNQXPHCF-UHFFFAOYSA-N 435.480 5.097 30 20 IKED N#CCCCn1cc(C(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c2ccccc21 444293143 LHRIHTJFAGOFRG-QFIPXVFZSA-N 431.927 5.452 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 463656562 QSFCCGLAZGGMMD-UHFFFAOYSA-N 427.338 5.530 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)Nc3cccc(C4CCC4)c3)c2)cc1 464122390 NUXMLLILNQCWHT-UHFFFAOYSA-N 439.515 5.176 30 20 IKED COc1cccc(/C=C(/CC(=O)N[C@](C)(C#N)C(C)(C)C)c2nc3ccccc3s2)c1 464162390 APDMMBNRHWZQOV-DGZYRLTNSA-N 433.577 5.680 30 20 IKED CC(C)Oc1cc(Br)cc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c1 464461810 NOKFXECKSFEFIH-HNNXBMFYSA-N 427.220 5.140 30 20 IKED Cc1ccc(-n2ncc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)c2C2CC2)cc1Cl 464469231 RQKCYOKIMMKPLI-INIZCTEOSA-N 444.844 5.615 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3ccccc3C)no2)nc2cc(Cl)ccc2c1=O 466608957 QNNOEGBWQGZKKV-AWEZNQCLSA-N 438.940 5.448 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccsc4)C3)cc2Cl)cc1 467904770 WQUMRMOKIWCRPX-OAQYLSRUSA-N 439.924 5.671 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CC[C@]3(C2)OCc2ccccc23)cc1Cl 471604821 DDXNPMLERZNHCP-RUZDIDTESA-N 430.891 5.276 30 20 IKED Cc1csc(NC2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)n1 473664222 YVVUSIXMQRAFDN-UHFFFAOYSA-N 433.537 5.224 30 20 IKED C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1cc(Cl)ccc1OCCCOC 473774592 GUHMUOMDALETRA-UHFFFAOYSA-N 437.989 5.408 30 20 IKED COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)C[C@H](CC#N)c1ccccc1)CCO2 476111065 ONPOPGLEVFGFDC-OZXSUGGESA-N 440.543 5.635 30 20 IKED C=CCN(CC=C)C(=O)[C@H](C)S[C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 476211508 UYCIMMQOCNFPHM-KBPBESRZSA-N 425.476 5.139 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H]2CCC3(CCCCC3)O2)cc1 479608302 OJWGOJWLIVPDLT-HSZRJFAPSA-N 433.552 5.335 30 20 IKED CN1CCC[C@H](CNC(=O)c2c(F)c(F)cc(F)c2F)[C@H]1c1ccc(C(F)(F)F)cc1 480854743 FEIPFGKFPGTOJW-CWTRNNRKSA-N 448.382 5.075 30 20 IKED CCOC(=O)c1csc([C@H]2CCCN2Cc2cccc(OCc3ccccc3C#N)c2)n1 483424884 XMEDPULGKMNJCX-HSZRJFAPSA-N 447.560 5.108 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(Br)c1Cl 485456142 GETHPVLIXKKBDY-UHFFFAOYSA-N 425.758 5.490 30 20 IKED N#CCCC[C@H](NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccccc1 487388870 MZABKAZBAUHGQW-NRFANRHFSA-N 439.437 6.058 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 489658321 JBSROGURIFNWLD-SFHVURJKSA-N 447.564 5.563 30 20 IKED C=CCN(C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cc(OC)c(OC)c(OC)c1)CC2 491039347 TWZGTDLWBMWIJP-NBVRZTHBSA-N 444.531 5.005 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@@H](c4nc5c(s4)CCCC5)C3)o2)cc1 491157678 ZKHQEYZXLLXCOL-GOSISDBHSA-N 447.560 5.085 30 20 IKED CC(C)c1nnc(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1 495219526 IERXEQICYVBDLE-SFHVURJKSA-N 439.972 5.335 30 20 IKED CC(C)Cn1ncc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C1CC1 497679368 PPLRAZBIUGTNRJ-GOSISDBHSA-N 427.552 5.838 30 20 IKED N#C[C@@H](NC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccc(Br)cc1 499409314 UAHJMRGLFUOVEV-OAHLLOKOSA-N 438.306 5.313 30 20 IKED CN(CC1CCN(c2ccncc2)CC1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 499595954 XQNCNVHBTAOKTD-UHFFFAOYSA-N 441.535 5.126 30 20 IKED C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1 500336012 LMIDHEBUQWKNBS-BWPZPKMVSA-N 438.955 5.406 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)s3)CC2)c1 501740296 FKYWZYMDUSFKCK-UHFFFAOYSA-N 449.963 5.431 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H](c4nc5ccc(F)cc5o4)C3)cc2)nc1 502147942 RWWYKIPRIDLYNM-GOSISDBHSA-N 442.450 5.046 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 502279634 VMPBTMWVRQXLTC-SFHVURJKSA-N 428.561 5.550 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccccc2N(C)Cc2ccccc2)cc1 502446599 PADMIIDGOPSALK-UHFFFAOYSA-N 429.524 5.275 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](c1ccccc1)c1cccnc1 503273735 VZLHVZAAAWYIJH-SANMLTNESA-N 434.499 5.965 30 20 IKED C[C@@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1ccc(NC(=O)Nc2ccccc2)cc1 506496501 RYGMLRCDYJBKLH-QGZVFWFLSA-N 444.510 5.496 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)cc1 507808019 AQINGGCKYJUUPG-AWEZNQCLSA-N 439.874 5.591 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2ccc(SC)cc2)cc1 507810147 HPUWSSZEFUJGIS-INIZCTEOSA-N 433.533 5.520 30 20 IKED C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCC(OCC2CCCC2)CC1 508908238 RSZUEYOBQVYORO-UHFFFAOYSA-N 426.630 5.240 30 20 IKED C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(OCCCC)CC1 508913108 NVOAZKHKQJJIIB-UHFFFAOYSA-N 437.613 5.349 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cc(F)c(Br)cc2F)c1 510081866 BSBLVIUHIRCAFN-UHFFFAOYSA-N 433.208 5.023 30 20 IKED CCN(C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)c1ccc(C#N)cc1 510409316 TVAAIMZKQOKMBY-UHFFFAOYSA-N 448.320 5.240 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)CC1 511015167 OVFWBSWWQLHDDY-MHJFOBGBSA-N 449.448 5.380 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)NCc2csc(-c3ccccc3)n2)c1 513128754 HCGOSXRRKCYXKI-UHFFFAOYSA-N 425.513 5.191 30 20 IKED N#C[C@H](C(=O)c1cccc(C(=O)Nc2ccccc2)c1)c1nc2cc(Cl)ccc2s1 513662449 VVXQBTVMLOMJTQ-GOSISDBHSA-N 431.904 5.692 30 20 IKED Cc1cc(C)c(C(=O)CCCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c(C)c1 515826959 RUZBGBQFQKVZBV-UHFFFAOYSA-N 441.531 5.971 30 20 IKED COc1cc(C#N)ccc1OCCCc1nc(-c2ccccc2OCc2ccccc2)no1 517630744 LYIQBJBRVMPKDO-UHFFFAOYSA-N 441.487 5.207 30 20 IKED CC(=O)Nc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1Cl 518761998 IZWIGRMLRQEMGL-UHFFFAOYSA-N 435.936 5.715 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@H](c3ccc(F)cc3)[C@H]3CCCO3)cc2)cc1 518885497 UJRODKWYJDZLPR-JWQCQUIFSA-N 430.479 5.334 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1nc(-c2ccccc2)cs1 518894760 XVNFUASFSVOVMY-INIZCTEOSA-N 426.501 5.360 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1 519011822 YFKIUNMZVHNIMN-ZDUSSCGKSA-N 432.895 5.801 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3I)cc2)cc1 519031377 MCLXOIBXWGVWJK-UHFFFAOYSA-N 440.240 5.207 30 20 IKED CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 519051175 TWWOGPBXHAAOPM-RUZDIDTESA-N 427.504 6.118 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1csc(-c2ccsc2)n1 519415331 JAGHZKBMCVQVLK-CQSZACIVSA-N 445.660 6.138 30 20 IKED COc1cc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)ccc1OC1CCCC1 519897301 ZDNZOSBKAMCPDH-FQEVSTJZSA-N 449.595 5.817 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCc1nc(Cc2cccc(Br)c2)no1 520225754 PJBNQLWILMRUEH-CQSZACIVSA-N 443.370 5.429 30 20 IKED CC(C)Cn1ncc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1C1CC1 520275190 LDDPZZRQMVZLKU-UHFFFAOYSA-N 434.927 5.986 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(NC(=O)NC4CC4)cc3)cc2)cc1 520323516 HTPTUHUKYXKHDW-UHFFFAOYSA-N 426.476 5.081 30 20 IKED COc1ccc([C@H](Cc2ccccc2C)NC(=O)N(C)Cc2ccc(C#N)cc2)cc1OC 521510795 HJYHHORWNVXKDR-DEOSSOPVSA-N 443.547 5.009 30 20 IKED N#C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(Cl)c1Cl 521769901 WVQGKBMQYDBPIY-AWEZNQCLSA-N 433.276 5.020 30 20 IKED Cc1[nH]c2ccccc2c1C1=CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 523585572 PIQZULAAXZEAAD-UHFFFAOYSA-N 432.527 5.592 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)cc1 523620306 RGMXXCKNHXLBBV-NRFANRHFSA-N 445.950 6.006 30 20 IKED N#Cc1ccc2ncc(/C=C\c3nc4ccccc4c(-c4ccccc4)c3CC(=O)O)n2c1 524067260 HGUJCDUACAUABQ-QXMHVHEDSA-N 430.467 5.219 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(F)cc3Br)c2)c1 524501185 UYJNRYDUPABMHF-UHFFFAOYSA-N 425.257 5.291 30 20 IKED CN1C(=O)CC[C@@H](C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 524526576 NNUXSQJBHLITID-TZIWHRDSSA-N 443.469 5.055 30 20 IKED N#C[C@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccc(OC(F)(F)F)cc1 531353533 USGKYXZSJDJROR-KRWDZBQOSA-N 449.816 5.207 30 20 IKED Cc1c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cccc1-c1ccccn1 533644346 ROWQAAUEBLAXSJ-UHFFFAOYSA-N 443.557 5.325 30 20 IKED N#CC1(CCCSc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)CCOCC1 538609991 GPIVVTKITNJVPL-UHFFFAOYSA-N 439.972 5.175 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1Oc1ccccc1C#N 538675616 CISXLPNTDYZTOP-UHFFFAOYSA-N 446.466 5.970 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)CCC1CCN(c2ccncc2)CC1 538949816 PXISACGPFWNQRK-LJQANCHMSA-N 437.613 5.246 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cs1 539827415 ZGPRVZOKRZAUQM-XZOQPEGZSA-N 434.540 5.239 30 20 IKED Cn1cnc(-c2cccc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)c2)n1 541244124 IQKGPHSQXNJJKH-UHFFFAOYSA-N 429.867 5.052 30 20 IKED C[C@@H](NC(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(-c2cccc(C#N)c2)cc1 543016546 FLNZHWYTJSPIHA-QZTJIDSGSA-N 438.531 5.231 30 20 IKED COc1cc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc(Br)c1O 543874929 YMGNWJYUQNVEJY-OAHLLOKOSA-N 437.337 5.553 30 20 IKED CCc1cccc(Oc2cc(-c3noc(-c4cnc(C(F)(F)F)c(C#N)c4)n3)ccn2)c1 551355350 LTARBTBWBHLCRT-UHFFFAOYSA-N 437.381 5.439 30 20 IKED N#Cc1nc(N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)ccc1C(F)(F)F 553223946 IHEFHTRKTSSMIZ-GOSISDBHSA-N 429.364 5.571 30 20 IKED O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 554913101 FXJDHKPVOACDKD-OCCSQVGLSA-N 430.339 5.332 30 20 IKED N#Cc1ccc(CSCc2nc(-c3ncoc3-c3cccc(C(F)(F)F)c3)no2)cc1 558388682 JMXKFSCFBGJGRI-UHFFFAOYSA-N 442.422 5.715 30 20 IKED N#CCCN(C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1)c1ccc(F)cc1 561916265 LTPJSOSTGIVFDL-UHFFFAOYSA-N 432.480 5.068 30 20 IKED Cc1cc(C#N)cnc1C(=O)N(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 566784888 INUCOOHALOPSJB-UHFFFAOYSA-N 425.410 5.345 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1 571687832 IVLRNHCLXKYMDU-FQEVSTJZSA-N 443.478 5.616 30 20 IKED COc1cc(CN[C@@H](C)c2sc(-c3ccccc3Br)nc2C)ccc1C#N 578286400 VVAUSACAEOUBKE-ZDUSSCGKSA-N 442.382 5.612 30 20 IKED N#CCc1ccc(OCc2cccc(N3C(=O)[C@@H]4CC[C@@H](c5ccccc5)N4C3=O)c2)cc1 586869584 RXVLXWZWFYUDLI-DQEYMECFSA-N 437.499 5.004 30 20 IKED Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c12 587988699 HJXOESBLCVYBOX-MRXNPFEDSA-N 444.903 5.951 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 603511201 IRMDILOSKWMTOI-UHFFFAOYSA-N 440.934 5.265 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)c2C#N)C1 603615232 FRFROYOJBMWLLB-AWEZNQCLSA-N 433.508 5.388 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)cc1Cl 603759244 ZMXUKGAWRZMCHY-OAQYLSRUSA-N 430.870 5.573 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)o1 603950832 MCYZMCDCZIVWDM-UHFFFAOYSA-N 444.487 5.044 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1csc(-c2ccoc2)n1 606187199 JVIQPYLXBHGMKB-UHFFFAOYSA-N 435.318 5.062 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 607803179 QURVUGQTPMRSLE-UHFFFAOYSA-N 444.318 5.413 30 20 IKED CC(=O)N[C@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1c(F)cccc1F 608939821 AIGYYBVVMKAADT-HSZRJFAPSA-N 449.457 5.143 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(C(F)(F)F)cn3)cc2Cl)c1 609063256 TVLLVLYYGAPTLN-UHFFFAOYSA-N 431.801 5.457 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1nc2ccccc2s1 609078668 GSAGPEXOTFHRQA-UHFFFAOYSA-N 442.544 5.719 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CCc1nc(-c2ccco2)no1 609151580 FLNIIRNJLFUQLL-UHFFFAOYSA-N 432.867 5.021 30 20 IKED CCn1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nnc1-c1ccccc1 609369706 IDSLMEVEIWRBIC-MRXNPFEDSA-N 437.594 5.090 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(NC(=O)c4cccs4)c3)cc2)nc1 609498298 QGZFYFUWWUKZOB-UHFFFAOYSA-N 440.484 5.312 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC(c4c[nH]c5cc(F)ccc45)CC3)o2)cc1 609529608 YHHNRPZYKDLAAL-UHFFFAOYSA-N 443.478 5.370 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 613292211 CJOOJCVSFDVKSY-SFHVURJKSA-N 429.476 5.486 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3Cc4cccc(Br)c4C3)cn2)c1 613761792 SUTZULDACCOVIC-UHFFFAOYSA-N 435.281 5.056 30 20 IKED CSCc1c(C(=O)Nc2c(C#N)c(SC)nn2-c2ccccc2)oc2ccccc12 614969921 MDEGNZRILSEIIV-UHFFFAOYSA-N 434.546 5.327 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2N1C(=O)[C@H](c2ccc(Cl)cc2Cl)N(C2CC2)C1=O 619465327 PKSCPIQZCVAYPT-PMACEKPBSA-N 426.303 5.020 30 20 IKED CN(C)[C@@H](C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1c(F)cccc1Cl 673637140 AJOXKDIWSRWRLE-DZHLUBAWSA-N 448.810 5.108 30 20 IKED C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674431767 CPNRBOZBJLCLPU-WQAKAFBOSA-N 436.318 5.019 30 20 IKED COc1ccc(-c2ccc(C(=O)N3C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)c(F)c2)cc1 674445759 VEPYQWSWGUQSBU-IYBDPMFKSA-N 435.339 5.314 30 20 IKED Cc1c([C@H](C)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cnn1-c1ccc(F)cc1 675739047 UPJZJKAHKVAOLE-IACUBPJLSA-N 437.403 5.880 30 20 IKED COc1ccccc1Cc1nnc(S[C@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)o1 727266107 RDFMPHAOCYKLBP-GRVPHDJPSA-N 449.576 5.030 30 20 IKED CC(C)n1ncc2cc(/C=C3\Cc4c(F)cc(Br)cc4C3=O)c(Cl)nc21 727779879 ALNXLERTPMRALX-XCVCLJGOSA-N 434.696 5.390 30 20 IKED Cc1ccc(C(=O)CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1C 728028649 OSZAHOGMJYYWQZ-UHFFFAOYSA-N 426.516 5.664 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCCSC(F)(F)F)cc2Cl)c1 728121707 LYXWDGDMSFLOBS-UHFFFAOYSA-N 429.851 5.165 30 20 IKED C[C@@H](OC(=O)c1ccccc1-c1ccccc1C#N)C(=O)Nc1ccccc1OC(F)F 729850788 SHKYUTWLKMRWQJ-OAHLLOKOSA-N 436.414 5.011 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)ccc1F 730496419 TWQVTLCYOITUIA-UHFFFAOYSA-N 447.466 6.089 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc1 733622754 YTARIWYJOAXCQI-DQEYMECFSA-N 427.504 5.544 30 20 IKED Cc1c(F)cccc1-c1ccc(C=Nn2c(S)nnc2-c2ccc(OC(F)F)cc2)o1 734294658 DYXYSMQPKUKERS-UHFFFAOYSA-N 444.438 5.425 30 20 IKED COC(=O)N(C)Cc1ccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 735366481 OXGMTTBJNAHVIR-HSZRJFAPSA-N 428.492 5.184 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cc1cc(-c2ccccc2)on1 736001518 XXVKTILZCOSZCX-UHFFFAOYSA-N 425.463 5.437 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)/N=C/c1ccc(O)c(O)c1O 739426857 NOBWIIWCOCTYDA-PRMNVEQPSA-N 433.327 5.178 30 20 IKED N#Cc1ccc2c(c1)CC/C(=C\c1cc(Br)c(O)c(Br)c1)C2=O 742438350 WMTKWQHLCXLJEJ-AWNIVKPZSA-N 433.099 5.001 30 20 IKED N#C[C@H](C(=O)Cc1ccc(NC(=O)C2CC2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 744035369 QSGHFWVAIIDHHX-LJQANCHMSA-N 435.936 5.231 30 20 IKED N#C[C@H](C(=O)NC1CCCC1)C(=O)c1cccc(CSc2c(Cl)cccc2Cl)c1 744038135 NJNPOPTYNGMBQY-KRWDZBQOSA-N 447.387 5.667 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C(\C)c3cccc(C(F)(F)F)c3)n2)cc1 744062717 WFJQVXAQYDVFEQ-NRJHKNTJSA-N 442.462 6.117 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCCC[C@H]2c2cccc(C)c2C)ccc1OC 745819674 ONCDQLCLYFPWAZ-GGAORHGYSA-N 435.568 5.430 30 20 IKED CCN(C)c1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1 748442154 PPPALJYAYMEJJD-WQLSENKSSA-N 441.503 5.458 30 20 IKED Cc1nc(-c2ccc(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2)cs1 749211514 NQEMZRYAXRUYBJ-DEOSSOPVSA-N 438.556 6.096 30 20 IKED Cc1ccsc1[C@H](Cc1ccccc1)NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 754361829 XUJYFJVVKNYJOM-UNMCSNQZSA-N 438.556 5.167 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)C(F)(F)c1nccs1 756504785 NRBBRJZBFASGIU-UHFFFAOYSA-N 436.349 5.547 30 20 IKED C#CC[C@@H](NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccccc1 757612631 KODNMRPQASXJPE-RPWUZVMVSA-N 430.935 5.082 30 20 IKED C#CCNC(=S)/C(=C(/O)c1sc2ccccc2c1C)[n+]1ccc(C(CC)CC)cc1 759060572 XPRLVWJIWJOLJG-UHFFFAOYSA-O 435.638 5.835 30 20 IKED N#CCOc1ccc(CN[C@@H](c2cccc(F)c2)c2cccc(Br)c2)cc1 759164482 ZEIYONZLECIVPN-JOCHJYFZSA-N 425.301 5.370 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3nnc(S)o3)cc2)cc1Cl 759499931 VGZFBYBWFQTYKP-LJQANCHMSA-N 446.919 5.586 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1 760087485 WJPDNADJQKVOIC-UGSOOPFHSA-N 438.380 5.633 30 20 IKED CC(=NOCc1nc(Cl)ccc1Cl)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 764934742 IYEQMEPQOJWKAE-UHFFFAOYSA-N 444.244 5.237 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1 765791877 MAABAOJNYSNCLV-QGZVFWFLSA-N 431.602 5.304 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 767879901 YRDKATZTDQFCCG-WMZOPIPTSA-N 447.526 5.528 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cnc(Cc2ccccc2F)s1 773978455 CKLMTRSUANEGLF-ZDUSSCGKSA-N 448.306 5.141 30 20 IKED C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCC[C@@H]2c2csc(C)n2)c1=S 774589606 CXNZUKNMJCWEPO-GOSISDBHSA-N 432.018 5.480 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3cccc(C(C)C)c3)o2)cc1OC 776516732 NBJBZXCGQWWWQF-LJQANCHMSA-N 432.476 5.048 30 20 IKED C[C@@H](OC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)N(C)c1ccccc1 779180777 AAQXBMSIDMJCFO-GOSISDBHSA-N 430.529 5.059 30 20 IKED Sc1nnc(-c2cccc(Br)c2)n1N=Cc1c(Cl)ccc2cccnc12 781121619 KVGOWUMDSROCFG-UHFFFAOYSA-N 444.745 5.080 30 20 IKED Cc1nc(/C=C\c2scnc2C2CC2)sc1C(=O)/C=C\c1scnc1C1CC1 782329389 MOIGAAUDYRYXFK-JPDBVBESSA-N 425.604 6.186 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)[C@@H](C#N)C(=O)N[C@H](CC)c2ccccc2)c1 787038832 DDZYJRICELCNMK-DNQXCXABSA-N 426.516 5.342 30 20 IKED Cc1cc([C@H](CC(=O)O[C@@H](C#N)C2CCCCC2)NC(=O)OC(C)(C)C)cc(Cl)n1 788217125 DYYFRHZZYDHSCQ-ROUUACIJSA-N 435.952 5.015 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)/C=C\c1ccc(OCc2c(C)noc2C)c(OC)c1 791863882 JAIXKLHXRCFZFZ-OWBHPGMISA-N 446.547 5.497 30 20 IKED C[C@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 795252401 OUWAMWGILHOYKO-DNVCBOLYSA-N 427.932 5.095 30 20 IKED COc1cccc(NC(=O)[C@@H](OC(=O)c2ccc(C(C)(C)C#N)cc2)c2ccccc2)c1 796043396 PQTXOJYRQYBCKJ-QHCPKHFHSA-N 428.488 5.033 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)ccc21 796164250 UUPUIQCXFKCMLN-UHFFFAOYSA-N 435.499 5.055 30 20 IKED Cc1cc(F)cc2c1CN(C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)CC2 800700724 PLIZMOYIFPIJBH-CHWSQXEVSA-N 426.376 5.111 30 20 IKED C#C[C@H](NC(=O)Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(Cl)cc1F 806183152 NSEZGEJKVCMCAR-SFHVURJKSA-N 427.888 5.289 30 20 IKED COc1cc(/C=C/C(=O)c2cccc(Br)c2)cc(OC)c1OCC(F)F 809152406 QENVZRLPEJVTCO-VOTSOKGWSA-N 427.241 5.006 30 20 IKED CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813213441 MHQBJHSZGKYIJK-GOSISDBHSA-N 425.410 5.338 30 20 IKED N#C[C@@H](C(=O)CCSc1ccnc2cc(Cl)ccc12)c1cc(C(F)(F)F)ccn1 813219172 XEAINWJIULPAAP-OAHLLOKOSA-N 435.858 5.661 30 20 IKED COc1cc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2F)cc(Br)c1OC(F)F 814191623 RRZHWYDVFGYTEI-DJWKRKHSSA-N 446.175 5.003 30 20 IKED N#C[C@H](C(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1)c1ccc2ccccc2n1 815899852 FGYOHIUZVXUQTA-IBGZPJMESA-N 430.895 5.122 30 20 IKED N#C[C@@H](C(=O)CSc1ccc2c(c1)OCCO2)c1nc(-c2ccc(Cl)cc2)cs1 915102103 ROFLYKQULCZZNN-INIZCTEOSA-N 442.949 5.203 30 20 IKED N#C[C@H](C(=O)CSCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl 916927237 GXSLIPJCQQVHAR-CQSZACIVSA-N 427.740 5.228 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccccc2)n1)C(=O)Nc1ccc(Cl)cc1Cl 916928960 ZEJJANUPQVQZFK-OAHLLOKOSA-N 430.316 5.007 30 20 IKED N#C[C@H](C(=O)COc1ccc(C(F)(F)F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 917042595 DBLGTKSMEPGBCF-CYBMUJFWSA-N 444.356 5.589 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1 919868037 LBIWEFMKGVZAQU-UHFFFAOYSA-N 448.526 5.363 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@]4(F)CCCC=C4F)CCC3)cc2)cc1 1790290757 DEOFAGPGXSDOFK-RUZDIDTESA-N 435.474 5.052 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc(C(F)(F)F)c1 1800396624 KELNWMLTUUSZGT-REPLKXPHSA-N 440.481 5.089 30 20 IKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C2CC2)cc1)c1ccccc1 1800730201 KZMCOUUGQNNDFR-XUJYPJAKSA-N 440.587 5.013 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@H](C)Cc3ccc(F)cc3)CC2)C1 1805458553 OPSDYXHZHPWZNM-OAQYLSRUSA-N 440.603 5.004 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)CC1 1810117324 KBYDOARLWWKKQV-UHFFFAOYSA-N 449.639 5.324 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3[nH]ccc3s2)[nH]n1 1814443288 RFSNQOMSIRNMPW-QGZVFWFLSA-N 439.585 5.251 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccnc3ccccc23)[nH]n1 1814829131 LUCHVIUJJVHSIX-HSZRJFAPSA-N 443.551 5.032 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cccc(C)n2)CC1 1823725745 PFKRSWNSPKYFJY-XXFRDUSWSA-N 437.628 5.015 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCCCC2)CC1 1826284707 RBIOYDGUMBQYRZ-XMMPIXPASA-N 444.736 5.238 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)cccc2Cl)CC1 1829899816 RXDIEKLZSVWFHP-SIKLNZKXSA-N 446.994 5.481 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)CC1 1830189496 VMNWXJIXNNDWDM-AREMUKBSSA-N 447.623 5.099 30 20 IKED C=CCn1c(SCC(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)nnc1-c1cccnc1 10196384 DFEYLKNWBLIPJE-QHCPKHFHSA-N 449.624 5.255 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)CCC2)=C(/S)Nc1ccc(C)c(F)c1 11083210 FTCZFNOTUJEQOZ-UHFFFAOYSA-O 433.572 5.524 30 20 IKED C=CCN(C(=O)Cc1coc2cc(OC)ccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14724114 QMUZUDDPAADTKL-UHFFFAOYSA-N 449.488 5.235 30 20 IKED CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OCC(=O)Nc1ccccc1 16407327 CAPTZPFFSOKBOZ-WYMLVPIESA-N 431.488 5.008 30 20 IKED C=C(C)CN/C(S)=C(/C(=O)c1ccc(Cl)cc1)[n+]1ccc(Cc2ccccc2)cc1 22795297 JZZIMWVSOHHNEC-UHFFFAOYSA-O 436.000 5.323 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc3cc(C)c4ccccc4n23)c1 23408178 JNWKXLVNNAQVRP-LJQANCHMSA-N 443.576 5.235 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)[nH]c1C)=C(/S)Nc1cc(Cl)cc(Cl)c1 23604712 RSWUSWICTLUEDV-UHFFFAOYSA-O 447.411 5.839 30 20 IKED C=CCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1ccc(C(C)(C)C)cc1 23635118 JYUFIFBPGUAPNP-MRXNPFEDSA-N 445.592 5.518 30 20 IKED Cc1cc(Br)ccc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 64715185 PFLUYRTVDRMLFK-CYBMUJFWSA-N 433.277 5.649 30 20 IKED C=CCOc1ccc(C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1OC 71898844 JVLHRBQKYCDCOE-SFHVURJKSA-N 430.504 5.003 30 20 IKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccccc3SCCC#N)c12 78669109 VXLJHAKEJAXCEI-UHFFFAOYSA-N 433.562 5.263 30 20 IKED COc1ccc2[nH]cc(CC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c2c1 97428230 DWIAARUAMPTBNG-UHFFFAOYSA-N 425.488 5.003 30 20 IKED C=CCOc1ccc(/C=C/C(=O)N(Cc2csc(C)n2)c2ccc(F)cc2)cc1OC 107672831 UMFKGSPYBITEQL-WUXMJOGZSA-N 438.524 5.411 30 20 IKED C=CCN(Cc1cccs1)C(=O)c1oc2ccccc2c1CSc1nnc(C)s1 109383067 SPHFFYATFPIDBU-UHFFFAOYSA-N 441.603 5.775 30 20 IKED S=c1[nH]nc(-c2cccs2)n1N=Cc1cn(-c2ccccc2)nc1-c1ccccc1 254827123 XUABPJVSOFIUNS-UHFFFAOYSA-N 428.546 5.404 30 20 IKED Cc1sc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1[N+](=O)[O-] 303200322 OCTPWHJVWYONOQ-UHFFFAOYSA-N 427.869 5.321 30 20 IKED C=CCOc1ccccc1CNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 303454003 FRXAROIBCVMIRS-UHFFFAOYSA-N 426.925 5.149 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 409554298 KWNSYTKNBUAOIE-SQJMNOBHSA-N 428.557 5.607 30 20 IKED CCCn1nccc1C1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 410259041 AIAHDDSPFJQXJZ-UHFFFAOYSA-N 430.577 5.336 30 20 IKED N#Cc1ccc(NC(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c(Cl)c1 426125886 HXPUDSBTQVFYHT-UHFFFAOYSA-N 441.922 5.445 30 20 IKED Cc1nc([C@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cs1 429113071 IUQXYUHEMTYIOO-HSZRJFAPSA-N 432.549 5.466 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NCc2ccc(Br)c3cccnc23)cc1 437260518 QYOQXPKCXBUNHA-UHFFFAOYSA-N 436.353 5.424 30 20 IKED CCCc1c(NC(=O)Nc2ccc3cnn(C(C)C)c3c2)cnn1-c1cccc(C#N)c1 439239063 SMPBCBUVBOKBCJ-UHFFFAOYSA-N 427.512 5.271 30 20 IKED Cc1ccccc1-c1ccc(CN(Cc2nnc(-c3ccc(C#N)cc3)o2)C(C)C)s1 441530555 FXMSGYJGNRGFCA-UHFFFAOYSA-N 428.561 6.056 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(COc3ccccc3)cc2)c1C#N 445564947 IOSJNSKUHPSVFP-UHFFFAOYSA-N 440.528 5.297 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N(CC(F)(F)F)[C@@H]2CCCOC2)c1 446199583 FGTZCEZQRNUUHT-OAHLLOKOSA-N 438.833 5.187 30 20 IKED CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 460266342 SDYKCJNIWMSDIT-OAQYLSRUSA-N 439.567 5.151 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)CCc2nc(-c3ccoc3)no2)c1 460334792 ZPLIRFDLMVGFDC-UHFFFAOYSA-N 432.867 5.021 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1c1ccc(COC)o1 460374427 HXPJYCMBXZFTGN-XLIONFOSSA-N 440.519 5.214 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 462256196 LHMPQBOIZDPEET-BWKNWUBXSA-N 427.504 5.701 30 20 IKED C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 462592219 LHCJUBHGCQQTPH-NRFANRHFSA-N 446.572 5.168 30 20 IKED CC[C@@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nc(C(F)(F)F)cs1 465195868 SAKMAXDVHLJGGU-GOSISDBHSA-N 445.466 5.494 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(-c2cccc(OC)c2)cc1 466143487 FHYISSPPPFONNK-UHFFFAOYSA-N 431.492 5.168 30 20 IKED C[C@H]1C[C@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CN1Cc1ccccc1 467694252 FHDVAKXDEPMJIM-RDPSFJRHSA-N 441.600 5.243 30 20 IKED C[C@H](CNc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(Br)c1 468891875 JQEQZZUIJKRXIG-MRXNPFEDSA-N 426.358 5.248 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCCC[C@@H]3c3nc4ccccc4o3)c2)cc1 480557621 RPEDYIRRPZEHRC-HSZRJFAPSA-N 438.487 6.251 30 20 IKED Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 481176502 OTDFHBGSTSANSX-UHFFFAOYSA-N 441.556 5.506 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccnc(Oc3ccccc3)c2)nnc1-c1ccco1 482171844 APTKBYXXVYGUQR-UHFFFAOYSA-N 447.520 5.032 30 20 IKED Cc1onc(-c2cccc(Cl)c2)c1C(=O)N[C@H](C#N)c1cccc(Br)c1 483995531 RFAFBIXTRNINDF-MRXNPFEDSA-N 430.689 5.061 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)c1C#N 487124890 TUROERJQMGJACM-UHFFFAOYSA-N 438.459 5.270 30 20 IKED Cc1oc(-c2ccccc2)nc1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 488011704 UXXUJCBMUQHDBZ-UHFFFAOYSA-N 425.463 5.503 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2nnc(/C=C/c3ccco3)s2)c1 490288976 PTOQCVCBEOIULQ-ZHACJKMWSA-N 428.473 5.004 30 20 IKED CN(Cc1cccc2[nH]ccc12)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 494515213 ZTBJGGZNNZHTOJ-JOCHJYFZSA-N 428.923 6.141 30 20 IKED C=CCN(C(=O)Nc1cc(C(F)F)ccc1Cl)[C@H](C)c1cccc(-n2cnnn2)c1 497233528 XYXRAEJSIWEHNU-CYBMUJFWSA-N 432.862 5.034 30 20 IKED N#C[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1ccccc1Cl 499975016 SZVAJXHBPHGPND-QGZVFWFLSA-N 436.751 5.694 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)Cc1noc(C)c1C#N 500585410 BPVUMSKKNBOSTB-UHFFFAOYSA-N 431.471 5.081 30 20 IKED N#Cc1cn(Cc2csc(COc3ccc(Cl)cc3)n2)c2ccc(Cl)cc2c1=O 502834463 UQLQJLRSYAFPLC-UHFFFAOYSA-N 442.327 5.264 30 20 IKED C=CCN(C(=O)c1ccc2nccnc2c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502958053 QVNUUXIUQOUBSF-UHFFFAOYSA-N 441.343 5.893 30 20 IKED COc1cc([N+](=O)[O-])c(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1SC 503584855 KQEURQBNAMEDSA-HNNXBMFYSA-N 439.518 5.247 30 20 IKED COc1ccccc1CN(CCO)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510055213 JNFLRFMHNRJJCB-QFIPXVFZSA-N 449.938 5.030 30 20 IKED CN(Cc1cccc2ccccc12)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510214814 VAQPXVHHJIAXAL-UHFFFAOYSA-N 445.573 5.519 30 20 IKED Cn1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(-c2cccs2)n1 511050007 FHODKQOGPCUTKU-GOSISDBHSA-N 432.936 5.710 30 20 IKED COc1ccc([C@H](NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C(C)C)cc1 511535869 BUFMAOOCXUJIRP-XMMPIXPASA-N 442.519 5.338 30 20 IKED C=CCN(Cc1cccs1)C(=O)N[C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 518332283 OOGWPTUMVMXNJA-FQEVSTJZSA-N 439.606 5.655 30 20 IKED N#Cc1ccc(CSCc2nc(-c3ccc(Cn4cnc5ccccc54)cc3)no2)cc1 518336356 PUDSRYBADHQCHZ-UHFFFAOYSA-N 437.528 5.440 30 20 IKED N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC(C(=O)c2cc(F)ccc2F)CC1 518465913 JTAQACSHUWZKAF-UHFFFAOYSA-N 443.400 5.085 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 518740054 FPMQQPJWWKGNEJ-MRXNPFEDSA-N 431.492 6.136 30 20 IKED C=C(C)CN1CCC(NC(=O)c2oc3ccccc3c2CSCc2ccccc2)CC1 519270392 KWBJNWIOXWBNRS-UHFFFAOYSA-N 434.605 5.637 30 20 IKED COc1cc(CSc2nnc(-c3cccs3)n2C)ccc1OCc1cccc(C#N)c1 519837999 DRHKUCPLJIYFRD-UHFFFAOYSA-N 448.573 5.295 30 20 IKED COCCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@@H](C)c1ccccc1 520178346 FFNMMHAKFFKJJI-CYFREDJKSA-N 447.966 6.237 30 20 IKED COc1ccc([C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c2ccc(C)cc2)cc1 520325994 GMFTYCAQOIRDAM-MHZLTWQESA-N 449.510 5.582 30 20 IKED N#C[C@@H](C(=O)c1cc(C2CC2)nn1-c1ccccc1)c1nc(-c2c(F)cccc2F)cs1 520427726 WXYWXQDPCIGVTK-INIZCTEOSA-N 446.482 5.641 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(OCC(F)(F)C(F)F)nc1 520927952 CPNUNBNWVBNQRB-GFCCVEGCSA-N 427.423 5.007 30 20 IKED CC1CCN([C@@H](CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccc2)CC1 520936838 JSHYWLKFCPMKMG-REWPJTCUSA-N 436.625 5.676 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC(c4c[nH]c5cc(F)ccc45)CC3)cc2)nc1 521160922 OUEKSNKGWJNXHZ-UHFFFAOYSA-N 440.478 5.386 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1C[C@H]1c1cccc(Br)c1 521748343 SORLPIQGJMLGAO-SKDZVZGDSA-N 430.371 5.378 30 20 IKED Cc1c(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)sc2nc(C(F)(F)F)ccc12 521768973 LDIQUVJNHPFYRY-GFCCVEGCSA-N 444.265 5.925 30 20 IKED CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1 521785074 OZIMAQDMDAYDHV-DEOSSOPVSA-N 431.580 5.375 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](CC(C)C)c1cc(Cl)ccc1OC 523449487 KQESVUUZFWLURF-JOCHJYFZSA-N 443.975 5.166 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H](c3ccccc3)c3ccco3)c2)c1 524663463 PIDHQIQWVSZSMI-DEOSSOPVSA-N 436.471 5.315 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 525026163 QYLHJTJNAURAKT-UHFFFAOYSA-N 442.302 6.092 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cc(Cl)cc(Br)c2O)c1 531372246 KHSIFUDGQUDKTN-UHFFFAOYSA-N 447.672 5.104 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1ccccc1)c1ccc(F)cc1 533055456 QQSQMWPOHOPSLS-AVRWGWEMSA-N 433.552 5.395 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccc([S@@](C)=O)cc1 533772612 WXXQCMUZBSNMBE-LHEBDHONSA-N 437.496 5.110 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1cc(-c2ncco2)ccc1C 534037235 IVAWIUJDWUTFHN-UHFFFAOYSA-N 438.487 6.053 30 20 IKED CC(C)n1cnnc1[C@H]1CCCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C1 534903790 CCSIIJUIYUPQBT-IBGZPJMESA-N 449.942 5.196 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(-c2ccc(Cl)cc2)s1 536527212 ZJEIGIOSXLTHPJ-INIZCTEOSA-N 441.000 5.606 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 538026011 SBPCOXRISAZPOA-YHBQJITHSA-N 433.936 5.383 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)n1 538764913 ILAFUFVGNFNEEV-MRXNPFEDSA-N 442.338 5.706 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)nn1-c1ccc(Cl)c(Cl)c1 539647480 GCXYUPNLWCOKFJ-CYBMUJFWSA-N 439.224 5.391 30 20 IKED CSc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(C)n1 542002901 FPCLAMQYACTFHK-INIZCTEOSA-N 430.577 5.164 30 20 IKED O=C(N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1ccc2nc(C(F)F)[nH]c2c1 542827456 PCYPIXDWLWRJOK-ZDUSSCGKSA-N 435.299 5.135 30 20 IKED O=C(NCc1cccnc1)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 547854926 GFNQWUJTDNSAKR-CYBMUJFWSA-N 445.285 5.222 30 20 IKED CC(C)N(CCC(C#N)(c1ccccc1)c1ccccc1)Cc1nc(O)c2ccccc2n1 552415917 JBDQXFYMKGUMJR-UHFFFAOYSA-N 436.559 5.446 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)Cc1nc2ccccc2s1 559006313 NJGYJXWRTOBLSB-CVDCTZTESA-N 445.592 5.346 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCCN3c4ccccc4C[C@H]3C2)cc1 562227957 LPPDVAHRCRWHNN-QHCPKHFHSA-N 439.584 5.128 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NC34CCC(C(F)(F)F)(CC3)CC4)cc2)ccn1 565451898 VUFKGLGTOIXAMM-UHFFFAOYSA-N 430.430 5.522 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)on2)c1 566658335 HHPKMSVZEVVPLU-NRFANRHFSA-N 438.874 5.774 30 20 IKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@](O)(C(F)(F)F)CC1 569877985 YAPCNBCHARUGFP-CYBMUJFWSA-N 438.290 5.035 30 20 IKED Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 575941431 UZWZYYYCYGCWCO-UHFFFAOYSA-N 427.430 5.016 30 20 IKED Cc1ccc(Oc2ncccc2-c2noc(Cc3cccc(C#N)c3)n2)c(Br)c1 578689110 ZNUQZDDSFZXOGV-UHFFFAOYSA-N 447.292 5.457 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N(C)CCOCc1ccc(C#N)cc1 582145008 LUUUVKLUTJTZBT-UHFFFAOYSA-N 444.318 5.117 30 20 IKED C=CCN(C(=O)c1ccc(C(F)(F)F)s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 588817591 UEUGIXITSGZDGF-UHFFFAOYSA-N 439.440 5.631 30 20 IKED C[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(F)c2ccccc12 589006749 IMQCQSPCFRFRSO-QGZVFWFLSA-N 444.510 5.445 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@@H](c3cccc(F)c3)c3ccccn3)cc2)ccn1 589363670 ZVPWFRRSKROTSY-DEOSSOPVSA-N 439.450 5.191 30 20 IKED Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)cn2)cc1C 603987926 QLHOOGKJIKQLKO-UHFFFAOYSA-N 447.438 5.182 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H](C(=O)c4ccc(F)cc4)C3)cn2)c1 606553060 VNQCJYYXLOTWQF-LJQANCHMSA-N 444.466 5.011 30 20 IKED C=CCn1c(SCc2ncc(C)o2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 607758112 XFYFEGBSWMZJLU-UHFFFAOYSA-N 427.526 5.347 30 20 IKED Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 609079355 YUYNAIUHHROJHO-AREMUKBSSA-N 425.532 6.123 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)c1 609082678 USHOBCUOIXXJAR-UHFFFAOYSA-N 425.357 5.375 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccccc3I)c2)cc1 609176039 YEURCZBFTASRMB-UHFFFAOYSA-N 440.240 5.207 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cc1 609205677 QDUDNJWUEKCFAX-FQEVSTJZSA-N 434.540 5.949 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3coc(-c4cccs4)n3)cc2Cl)cc1 609262108 KBIRFYPJWWPGMI-UHFFFAOYSA-N 435.892 5.902 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(COc2ccc3ccccc3c2)o1 609377676 YTJVDJYZXKPGSL-SFHVURJKSA-N 442.540 6.516 30 20 IKED COc1ccc(OC)c([C@@H]2CCCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 609435535 WBMFKFZDZJHHKH-JXFKEZNVSA-N 425.554 5.467 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C 609437250 GIACRJUJUREANO-YWZLYKJASA-N 427.545 5.062 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3CCCc4cc(OC(F)F)ccc43)cc2)nc1 609502582 LUOXKYJXNHLNDI-OAQYLSRUSA-N 435.430 5.154 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@H](c3ccccc3)c3ccc4nc[nH]c4c3)cc2)nc1 609514584 FARBMWZDCBRGQV-AREMUKBSSA-N 445.482 5.141 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3csc(-c4ccccc4)n3)cc2)cc1 609683557 ZISCDOFIQSKNJV-UHFFFAOYSA-N 426.501 5.796 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc3c(c2)NC(=O)CS3)c1 609722105 CURIQWDDSHUDPU-UHFFFAOYSA-N 435.892 5.300 30 20 IKED Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)N[C@H](C)c2cccc(C#N)c2)n1 610318868 NPQZLOQJQAGCFP-OAHLLOKOSA-N 427.430 5.262 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)Nc2cccc(CN3CCCC3=O)c2)cc1 610489886 RDRJGAVJQFGOOD-UHFFFAOYSA-N 427.529 5.084 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCC[C@@H]2c2ccccc2Br)c1 610669731 OATVKFWUJNOHFG-OAQYLSRUSA-N 427.342 5.234 30 20 IKED N#Cc1cccc(COc2cccc(CN3C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)c2)c1 611276613 MHCYWGSXNNEFCO-KDURUIRLSA-N 428.376 5.310 30 20 IKED COc1ccc2c(c1)OCC[C@H]2NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 611802591 JJSJYWJNLVJOJW-MZNJEOGPSA-N 427.504 5.118 30 20 IKED Cc1cccc(COc2cccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c2)c1 613401563 FLXULDMWSRMSSE-HXUWFJFHSA-N 431.442 5.809 30 20 IKED CC(C)(C)n1nc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1C1CC1 613403972 IKWVSZWIUMMFLA-CYBMUJFWSA-N 432.471 5.634 30 20 IKED Cc1cc(CN(C)C(=S)Nc2ccc(C#N)c(Cl)c2)cc(C)c1OCC(F)(F)F 726471923 HVQPPZVKMNCNBY-UHFFFAOYSA-N 441.906 5.598 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(-c3ccccc3)cc2)[n+]2ccc(C)cc2)c1 726573511 HNUFRKZUFYQUMH-UHFFFAOYSA-O 447.583 6.254 30 20 IKED CC1CCN(C[C@H]2CCCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)C2)CC1 728688199 VHKPACZYZGDIQC-GJZUVCINSA-N 430.596 5.318 30 20 IKED CCc1ccc(NC(=O)c2nnc(/C(Cl)=C\c3ccc(O[C@H](C)C#N)cc3)s2)cc1 728698761 NWGVKYHTJKFAIL-ONDHQXCVSA-N 438.940 5.381 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1nc3cc(F)ccc3s1)O[C@@H](C)C2 730695310 HFXOMECTWWNKDE-FRJURHEUSA-N 436.508 5.137 30 20 IKED C#CCN(C(=S)Nc1ccc(C)c(F)c1)[C@H]1CCOc2ccc(Br)cc21 733087514 UFAOSBMPACTSJR-SFHVURJKSA-N 433.346 5.052 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc3nc(C(C)C)sc3c2)ccc1OC 733628322 VYQRCILEWLWRSC-QGZVFWFLSA-N 438.553 5.431 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2)c1 734318542 ZCJYVVCVWDKUAK-MUUNZHRXSA-N 443.506 6.045 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(CSC3CCOCC3)c2)c1 734936417 ZRQWLVRXAKEXEC-OAQYLSRUSA-N 439.581 5.101 30 20 IKED C[C@H](SCc1cc(Cl)ccc1OCC#N)C(=O)Nc1ccccc1C(F)(F)F 735317652 DVUMETKEYJBPAY-LBPRGKRZSA-N 428.863 5.522 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)/N=C\c1ccc(O)c(O)c1O 739426860 NOBWIIWCOCTYDA-UQXWMBKDSA-N 433.327 5.178 30 20 IKED N#CCOc1ccc(CC(=O)N(c2cccc(Br)c2)C2CCCCC2)cc1 739586899 KZYBWDSTMSSYHO-UHFFFAOYSA-N 427.342 5.260 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)/C=C(/C)c2ccccc2C(F)(F)F)ccc1OC 741929197 KLGFMOOIBQDHLC-JBXOJTMHSA-N 432.442 5.115 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(F)c2)c(F)c1)C(=O)N(CCC#N)c1ccccc1 743474123 IJTHBICRPSCEIF-GOSISDBHSA-N 435.474 5.291 30 20 IKED CCC[C@H](CCc1ccccc1)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 743926501 WHLIUZXXRCWQOL-AOYPEHQESA-N 439.559 5.198 30 20 IKED C=CCSc1ccccc1NC(=O)COC(=O)c1cc(NC(=O)C(C)C)ccc1Cl 745186913 QEBNFVLXQIDZRH-UHFFFAOYSA-N 446.956 5.008 30 20 IKED C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)NCc1cc(C#N)ccc1F 745893150 ODKBEYNSESXILC-MRXNPFEDSA-N 441.959 5.755 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 749000432 RPPSCBWOLGYITH-UHFFFAOYSA-N 431.989 5.122 30 20 IKED N#C[C@H](COC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)Cc1ccccc1 750784192 QSXPHFDJIWIYLD-OAQYLSRUSA-N 438.483 5.153 30 20 IKED O=C(/C=C/c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1)c1ccc(N2CCOC2=O)cc1 752238791 WPCTVEZMYFFENP-AWNIVKPZSA-N 430.416 5.240 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)cc1C#N 752309214 NNJYLVPDVCKZED-LJQANCHMSA-N 444.944 5.102 30 20 IKED C[C@@H](CSc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 756222265 BRCCTFGGTGQESP-LRDDRELGSA-N 441.553 5.019 30 20 IKED N#C[C@@H](C(=O)CCn1ccc2cc(Cl)ccc21)C(=O)Nc1ccc(SC(F)F)cc1 759207751 KGONFTHNCZLTQH-KRWDZBQOSA-N 447.894 5.347 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C\C(=O)c1cc(Br)ncc1F 762425209 VOCMMKSQEDGSGV-FPLPWBNLSA-N 448.723 5.394 30 20 IKED COc1cc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)ccc1F 765615380 FQCCWOBHNRDCNB-YVMONPNESA-N 432.423 5.150 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F 769775440 ZWHSLXKSUFOWKR-KFXAOSDLSA-N 430.813 5.667 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCCC[C@H]2c2cccc(Cl)c2)cc1C#N 770611182 KAQGIYDVYLEBBW-FQEVSTJZSA-N 426.904 5.539 30 20 IKED C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)Nc1ccc(F)cc1OCC#N 772437805 YLQWNZSDXNRPQQ-BVZFJXPGSA-N 429.495 5.339 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Sc3ccccc3C)cc2)cc1OC 772972808 XKYUMWKUDOTAQZ-HXUWFJFHSA-N 446.528 5.125 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 780521587 YMIBAIRDPIVMOK-HNNXBMFYSA-N 434.883 5.527 30 20 IKED Cc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cnc1Br 783630540 WPXJUEWBLORBOR-UHFFFAOYSA-N 438.350 5.569 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)CCCCC(=O)c1ccccc1)c1ccc(Cl)cc1Cl 787046287 QBAWHVVNNJYSPB-HNAYVOBHSA-N 445.346 5.323 30 20 IKED N#CCCn1cc(/C=C2\Oc3cc(OCc4ccccc4)ccc3C2=O)c(-c2ccncc2)n1 788354833 NNJOGMWEWHXDSF-MYYYXRDXSA-N 448.482 5.054 30 20 IKED Cc1ccc([C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2ccccn2)cc1 791752054 SJYARUIJPAIRGP-BDYUSTAISA-N 432.527 5.957 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1sc2ccc(C#N)cc2c1C 796745177 GNIVNLUBAWNQIY-OAHLLOKOSA-N 437.908 5.013 30 20 IKED CCCc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(C)c2)cc1 797800309 WWQOUZKJSWSPPT-UHFFFAOYSA-O 448.999 6.083 30 20 IKED COc1cc(/C=C(/Cl)c2nc(O)c3c(-c4cccs4)csc3n2)ccc1C#N 799495781 VTTCSAZHRQDTKF-VGOFMYFVSA-N 425.922 5.743 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cnc2c(F)ccc(F)c2c1 815907447 ATNRCGBHGZTAOS-GOSISDBHSA-N 443.409 5.266 30 20 IKED CCCCOc1ccc(C=NO[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)cc1OC 852026164 NBOCVJOWDCMYLA-QGZVFWFLSA-N 432.948 5.522 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)c1nc2ccccc2n1C(F)F 915106797 GMLZPWDZASVTGN-CQSZACIVSA-N 442.878 5.627 30 20 IKED CC[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)N1CCc2ccccc2C1 915352384 HGSNWFXPHHOOIJ-RRPNLBNLSA-N 438.575 5.300 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC2CCC(c3ccccc3)CC2)cc1 915762375 FYHCWAVFRYOKFD-XAZLJPHMSA-N 437.543 5.123 30 20 IKED N#C[C@H](C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccccc1 916622567 AIXFEGITOIPBGQ-NRFANRHFSA-N 444.947 5.556 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/S/C(=N/C3CCCCC3)NC2=O)cs1 917563260 NYSBRQFGLRLGPR-XDHOZWIPSA-N 440.594 5.029 30 20 IKED N#C[C@@H](C(=O)Cn1ccc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 918490580 UDVAWTIIZLJANY-INIZCTEOSA-N 426.328 5.948 30 20 IKED Cc1cc(C(=O)N2CCCSC2=Nc2ccccc2)c2cnn(Cc3cccs3)c2n1 918542124 SXRAMBAXQSOEMV-UHFFFAOYSA-N 447.589 5.116 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)cn2)c1 919980447 IBSKVSNVPQPGGQ-UHFFFAOYSA-N 449.392 5.202 30 20 IKED CC(=O)N(c1nc(/C=C2\COc3cc(C)cc(C)c3C2=O)cs1)c1ccc(F)cc1F 920066223 MIQJPVLDSWSSEZ-OVCLIPMQSA-N 440.471 5.381 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)cc1OC 921008447 FTFWTNBAOUKXJF-CWIMXHLESA-N 448.563 5.092 30 20 IKED COc1c(Cl)cccc1C(=O)NC1(c2ccc(NC(=O)[C@H](S)C(C)C)cc2)CCC1 1786396214 RSMNASVTQFHDKJ-HXUWFJFHSA-N 447.000 5.051 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc[nH]c4nccc3-4)cc2)CCC1 1788458547 KOVOWOOYKGWVHP-FQEVSTJZSA-N 428.536 5.031 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)Cc3ccccn3)cc2)CCC1 1791766742 ITINQRFWQDTLHW-HYBUGGRVSA-N 431.580 5.163 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OC(C)C)c(Cl)c1 1800313930 UZKSEPCOTASYID-ACDBMABISA-N 447.019 5.371 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc(F)ccc3Cl)CC2)C1 1804866936 ZTAXTSQJBYBKNV-UHFFFAOYSA-N 434.983 5.316 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C)cc2C)[C@H]1c1cccnc1 1811784469 VVNUTXIWZBBJLZ-LADGPHEKSA-N 433.596 5.010 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ncccc23)[nH]n1 1814829834 WRDDKPXHUMWTQB-QHCPKHFHSA-N 443.551 5.032 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(F)c2Cl)[nH]n1 1819309528 VZPPTINOHFVUOX-BEFAXECRSA-N 444.938 5.277 30 20 IKED Cc1cccc(Cl)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1 1830016906 NSLAEMSLTCWXIM-QHCPKHFHSA-N 449.982 5.067 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C3CCCC3)CC2)c1 1830351410 MBWUQGNNPWGSGJ-XSTKFIBXSA-N 447.623 5.293 30 20 IKED N#CCSc1ccccc1NC(=O)CNc1ccc(Br)c(C(F)(F)F)c1 15324176 NWVLKONBMCGLLQ-UHFFFAOYSA-N 444.276 5.134 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(SC(F)F)cc2)nnc1-c1cccc(C)c1 21961181 NIYYWDBWGCRLGR-UHFFFAOYSA-N 446.548 5.485 30 20 IKED Cc1ccc(-n2c(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)nnc2-c2cccc(C)c2)cc1 22137200 GLULFRKUWGNNPH-UQBPGWFLSA-N 447.608 5.086 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)nnc1-c1ccoc1C 23519341 GYEWKAKCTUCQMJ-ZFWWWQNUSA-N 430.961 5.044 30 20 IKED C=CCn1c(SCc2cc(Br)ccc2OC(F)F)nnc1-c1ccco1 63562332 MXIKKHHWCCHVPP-UHFFFAOYSA-N 442.285 5.380 30 20 IKED CCOc1cc(C#N)ccc1OC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 105557569 MJZMVZFRAOVXRZ-UHFFFAOYSA-N 432.423 5.247 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC(c2c[nH]c3ccccc23)CC1 303421764 YQIBAANMWAEFBO-GOSISDBHSA-N 432.593 5.238 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C[C@H]1CCCN(C(=O)NCC(C)C)C1 303813889 DFTLACAAJQHPIU-OAQYLSRUSA-N 448.567 5.065 30 20 IKED C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)o1 409807081 JSLDNEJCFOOMTC-OUWXYEHJSA-N 425.488 5.269 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(C(F)(F)F)ccc1Br 431928458 VMQGIEAKURUACD-LLVKDONJSA-N 443.288 5.972 30 20 IKED CC(C)c1nc(C2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)no1 432754810 OJSZNUPVUJRJNX-UHFFFAOYSA-N 431.496 5.268 30 20 IKED C[C@@H]1C(=O)CC[C@H](C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)C1(C)C 436064042 UWBZXVDTSDVLHL-MLGOLLRUSA-N 449.498 5.204 30 20 IKED C[C@@H](N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1nc(C(F)(F)F)cs1 437042952 ZVNWPXWJOHRTFA-KCJUWKMLSA-N 436.343 6.525 30 20 IKED COC(=O)C(C)(C)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 437835198 FATJUCKEAVNKIQ-UHFFFAOYSA-N 429.476 5.445 30 20 IKED CCc1cnc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)s1 437966446 YDZMBYVIFGNQOJ-UHFFFAOYSA-N 426.929 5.131 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NCCc3nc(C(F)(F)F)cs3)c2)cc1 438038192 XCLYQEWPQXMKGB-UHFFFAOYSA-N 432.427 5.190 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN([C@H](C)c2ccc(Cl)cc2)CC1 438039499 QESFNXKMFQXJHP-ZWKOTPCHSA-N 443.016 5.645 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NC[C@@H]3CCC[C@H](C(F)(F)F)C3)c2)c1 438619789 DVJRHXBOQXLTQM-AEFFLSMTSA-N 444.457 5.301 30 20 IKED CN(CCCC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438658520 BGIQTOCEZJIPCW-UHFFFAOYSA-N 427.476 5.075 30 20 IKED COc1cc(CC2CN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)C2)cc(OC)c1 438660012 GHRZRYSYBIAWRD-UHFFFAOYSA-N 443.503 5.074 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1ccc(C)c(Oc2cc(C)ccn2)c1 439624337 VYSFBNARAQZEGI-HXUWFJFHSA-N 444.535 5.247 30 20 IKED C[C@@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)Nc1ccccc1OC(F)F 439675516 ROBVEECNMPEUAN-CQSZACIVSA-N 441.409 5.530 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c2ccccc21 444127034 JJXDVJJAXDFKIU-UHFFFAOYSA-N 434.499 5.648 30 20 IKED CCCc1c(NC(=O)c2cn(CCCC#N)c3ccccc23)cnn1-c1ccccc1C 444278124 APNHKCWBIZIYOJ-UHFFFAOYSA-N 425.536 5.644 30 20 IKED C[C@@]1(c2ccccc2)CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 446828362 ZTSLTZIAZQQVLK-HHHXNRCGSA-N 425.532 5.527 30 20 IKED CCN(CC)CCN(C(=O)c1cccc(SCC#N)c1)c1cccc(C(F)(F)F)c1 461082015 HLYKDHMXKYWTOU-UHFFFAOYSA-N 435.515 5.310 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCc2c1[nH]c1ccc(Br)cc21 461723703 IQUUIWUJBZGVFU-FQEVSTJZSA-N 437.341 5.021 30 20 IKED C[C@H](CC#N)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCCCO1 461865297 JNODBWJQIPKVAS-HUUCEWRRSA-N 429.977 5.121 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc2c(C(C)C)nn(C)c2s1 463486771 KVPSEUUBCAKQJC-UHFFFAOYSA-N 444.560 5.770 30 20 IKED N#CCC[C@H](NC(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1ccccc1 464309945 JEQYJLXILAHIJK-VQTJNVASSA-N 434.540 5.671 30 20 IKED C[C@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1nc(C2CCCCC2)no1 464700717 CQHQJHBFVCYXQV-KRWDZBQOSA-N 430.508 5.059 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)c1sccc1C#N 466876351 FFDJBEZWWYAQDM-JTQLQIEISA-N 432.368 5.305 30 20 IKED O=C(Nc1cccc(C(=O)N(CCC(F)(F)F)CC(F)(F)F)c1)c1ccc(F)cc1 468532343 YXYODGOUIBYNFC-UHFFFAOYSA-N 436.327 5.035 30 20 IKED Cn1c(=O)ccc2ccc(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)cc21 470439151 SPRWEBZWTZRXGQ-UHFFFAOYSA-N 429.863 5.108 30 20 IKED Cc1ccccc1C1(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CCCCC1 470846524 FIVVLOWQLPPGLZ-UHFFFAOYSA-N 429.564 5.419 30 20 IKED Cc1nc2cc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)ccc2n1Cc1ccsc1 472554145 LEDGBEZVPVUPEC-UHFFFAOYSA-N 438.556 5.256 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccnc3C(F)(F)F)cc2Cl)c1 473145431 YJCSQMDCAKJXMU-UHFFFAOYSA-N 431.801 5.457 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CC[C@]3(C2)OCc2ccccc23)cc1 474431980 JOMUWGDNOAIEMA-AREMUKBSSA-N 426.541 5.122 30 20 IKED N#Cc1cccc(-c2nnc(CN3CCC(=Cc4cc(Cl)ccc4Cl)CC3)o2)c1 476989949 ZDUMVJXEZKKWRH-UHFFFAOYSA-N 425.319 5.594 30 20 IKED Cc1nc(-c2ccccc2NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cs1 477676683 QTWTXZXWIWOLNR-UHFFFAOYSA-N 425.513 6.229 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)cc1 477877768 LEIMVWMXODLNIF-FQEVSTJZSA-N 443.915 6.298 30 20 IKED Cn1nc2ccccc2c1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 478075132 AZESMRWTKXQGPN-CQSZACIVSA-N 427.316 5.494 30 20 IKED C[C@@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 479495960 LHYPKCXPDRKEEN-ZUOKHONESA-N 429.467 5.183 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 480252204 LWYDHNLSRNMGMG-NRFANRHFSA-N 427.460 5.448 30 20 IKED C=C(C)[C@H](NC(=O)Nc1ccccc1CN1C[C@H](C)O[C@H](C)C1)c1ccc(F)c(F)c1 480358045 YGZNRVMOUCZMNJ-MFEFFIJZSA-N 429.511 5.013 30 20 IKED CN(C)C(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 481855033 JASLXPLISONRHT-INIZCTEOSA-N 444.343 5.309 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3F)s2)nnc1-c1cccc(C)c1 484502992 OORDLRUQRQEPHW-OAHLLOKOSA-N 437.569 5.950 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)c1ccccc1OCc1ccccc1 484694807 PUTNNETXNXUJLU-HXUWFJFHSA-N 434.536 5.200 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2F)nnc1-c1cccc(Cl)c1 489621706 JNSDFTOJEDBKEP-LBPRGKRZSA-N 434.899 5.182 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)o2)cc1 489765874 XQTUCIRYMGEONF-UHFFFAOYSA-N 436.320 5.339 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1C 498815426 KKCZABFEAWDFGL-UHFFFAOYSA-N 430.405 5.491 30 20 IKED CC[C@H]1c2ccsc2CCN1C(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCC2 501539017 VJDAHELZLMHFIW-IBGZPJMESA-N 449.601 5.392 30 20 IKED Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1Cc1ccccc1C(C)(C)C#N 502333796 CGDTUOCLIQLMTR-DEOSSOPVSA-N 432.543 5.003 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N(C1CC1)[C@H](C)c1cccc(C(F)(F)F)c1 502861499 QBXQZMINAMNSFN-MRXNPFEDSA-N 446.469 5.497 30 20 IKED COc1cccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)NCCCCC#N)c1OC 505088233 XAAPDTWZDXOYEV-ISLYRVAYSA-N 441.531 5.162 30 20 IKED CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2cc(C#N)ccc2Cl)c1 505104224 IUXBHMPLZZWRBF-KRWDZBQOSA-N 431.923 5.574 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 505214352 ZGMTYMSFZXSHFO-UHFFFAOYSA-N 426.495 5.244 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2cccc(Cl)c2C)cc1 507832225 YXCTUCFPLOLGLE-INIZCTEOSA-N 435.911 5.760 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 507916995 GLXAYZGWNMELNP-UHFFFAOYSA-N 427.460 5.029 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1 508276739 VZSCCYDMNCAZCQ-KRWDZBQOSA-N 441.487 6.330 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3cc(C#N)ccc3OC(C)C)c12 509564559 OIDKTKQOBGAJHD-UHFFFAOYSA-N 433.556 5.529 30 20 IKED CN(CCOc1ccccc1F)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510007973 XZSFPQYHMHMUKJ-FQEVSTJZSA-N 437.902 5.677 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc12 513692722 SVQRWYLBXRAKHO-KRWDZBQOSA-N 446.532 5.693 30 20 IKED CC(C)CN(C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccc(C#N)cc1 514535595 VTWYEJPRMWALIC-UHFFFAOYSA-N 439.559 5.253 30 20 IKED Cc1nc(CSc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cc2)cs1 516331417 OFJTULDERTXOIG-IBGZPJMESA-N 448.598 5.752 30 20 IKED Cc1c([C@@H](C)NCc2cccc(OCc3ccccc3C#N)c2)cnn1-c1ccc(F)cc1 518782117 MJCQMWUIYYQFBV-LJQANCHMSA-N 440.522 5.621 30 20 IKED C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1 522636095 MQONEQMZQXIZKL-WSTZPKSXSA-N 437.971 5.481 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc3c(nc2O)CCCCC3)cc1Cl 523123654 WIKCCBPMIMYQHU-NRFANRHFSA-N 431.923 5.617 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCc1ccn(-c2ccccc2)n1 523373177 ZNVUWNYIBZCYTH-UHFFFAOYSA-N 437.503 5.209 30 20 IKED CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 524028522 UXHKYTMZBWWLOT-VWNXMTODSA-N 437.559 5.250 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 524144717 HATIROGUCKYFHP-UHFFFAOYSA-N 442.441 5.117 30 20 IKED N#C[C@H](C(=O)c1ccc(CNC(=O)C2CCCC2)cc1)c1nc2cc(Cl)ccc2s1 524374883 RMJCSBGPAGPJAU-GOSISDBHSA-N 437.952 5.246 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1cnn(-c2ccccc2)c1 524386656 NYRUVESWLRFBTB-UHFFFAOYSA-N 436.515 5.203 30 20 IKED N#Cc1ccc(-c2nnc(CSc3nc4ccccc4c4nc5ccccc5n34)o2)cc1 525109977 YVBBIFSRRLZUQY-UHFFFAOYSA-N 434.484 5.250 30 20 IKED C=C[C@H](CC(=O)N[C@@H](C)c1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1 535431992 DQTAOTPNMVJPNV-ZWKOTPCHSA-N 440.590 5.086 30 20 IKED Cn1cnnc1-c1cccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1 535613469 PBIBJZQJLALOHY-UHFFFAOYSA-N 429.867 5.052 30 20 IKED CCN(C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1)c1ccc(C#N)c(Cl)c1 539175619 VMOQDYSCDFTWJF-UHFFFAOYSA-N 442.906 5.904 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 539233165 ORGADCQYVSQGQG-WOJBJXKFSA-N 447.604 5.254 30 20 IKED Cc1cc(NC(=O)N(C)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)nn1CCC#N 539717265 UWXAWXFYPANFRY-UHFFFAOYSA-N 442.350 5.665 30 20 IKED Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1NC(=O)C(C)(C)C 540855051 WDJJPMFAWDZDNX-UHFFFAOYSA-N 427.504 5.896 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N[C@H]3CCO[C@H](c4ccc(F)cc4)C3)c2)cc1 544584983 JSCGICQNTPIMTA-URXFXBBRSA-N 431.467 5.531 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)N(c1ccccc1)C1CCCCC1 548950332 KCPSVKPCMRLSFG-UHFFFAOYSA-N 433.939 5.201 30 20 IKED Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 549004148 QLAVLSFHSFVGDW-PRJVBOEPSA-N 427.508 5.027 30 20 IKED O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)N1CCc2ccc(F)c(F)c2C1 552832608 LZFQULZQIWECJB-UHFFFAOYSA-N 446.326 5.085 30 20 IKED Cc1ccc(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1OCC1CCCCC1 558639898 MAKYPLUQDOPWAL-UHFFFAOYSA-N 432.568 5.438 30 20 IKED Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N[C@@H](CCCC#N)c2ccccc2)c1 560281792 IBVUMAZDWVNCBV-KRWDZBQOSA-N 449.498 5.139 30 20 IKED C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1nc(C(C)(C)C)cs1 560951166 QCZYDCUVVXDADW-QGZVFWFLSA-N 448.592 5.968 30 20 IKED C[C@@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 562764917 IILODMFDQJHKMI-IBGZPJMESA-N 436.515 5.092 30 20 IKED CC(C)OCc1cc(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)ccc1O 576670309 LUXMEELGGDBTFT-UHFFFAOYSA-N 444.491 5.085 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3sc4cc(F)ccc4c3Cl)CC2)c(F)c1 586829842 NTFATCRAGBPOGL-UHFFFAOYSA-N 432.879 5.388 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](CCc2ccccc2)c2ccccc2)c1 589802490 JEMDQPDFLLZTIR-VWLOTQADSA-N 428.532 5.070 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1ncc(-c2ccc(Cl)cc2)o1 598951454 AZRBFCGSIPRFJA-HNNXBMFYSA-N 441.940 5.431 30 20 IKED N#Cc1ccc(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)cc1Cl 603947167 BSEQLFRHVGRMTO-DHLKQENFSA-N 443.934 5.330 30 20 IKED N#CCCCOc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c1 603972400 BPCLERZDFDDSMD-OAQYLSRUSA-N 441.531 5.013 30 20 IKED C=CCNC(=O)Nc1ccc(NCc2cn(-c3ccccc3)nc2-c2ccc(C)o2)cc1 604068390 PHIBMDHUWZYTBH-UHFFFAOYSA-N 427.508 5.360 30 20 IKED CN(Cc1nc2ccccc2s1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604088431 VKDJXOOEMGNTKQ-UHFFFAOYSA-N 448.935 6.278 30 20 IKED CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604143055 HVIJFTQPFNEXBH-UZLBHIALSA-N 425.916 5.027 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2cccc3ccccc23)o1 607437859 KGBOFKGXVWBFLK-INIZCTEOSA-N 435.574 5.647 30 20 IKED CN(C(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F)c1ccc(F)cc1 608763845 XTAMITMODOZGCI-UHFFFAOYSA-N 431.311 5.326 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(Br)c[nH]3)cc2Cl)c1 609072835 JYUNIAPSMHYWOL-UHFFFAOYSA-N 430.689 5.134 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)cc1 609296855 ZPVXPTCINWMKON-IBGZPJMESA-N 434.446 5.029 30 20 IKED CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1 609297453 QQRJRNVDGKCSSS-UHFFFAOYSA-N 431.467 5.727 30 20 IKED Cc1cc(Cl)ccc1NC(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 609387148 PQHOHMFJJNEOLT-ZDUSSCGKSA-N 441.906 6.112 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 609438117 BZUWUILWHOTIGE-DYESRHJHSA-N 443.016 5.693 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccc(F)cc3)C3CCC3)cc2)c1 609439987 YVTXIHSRZOXXLP-DEOSSOPVSA-N 443.478 5.086 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)cc1 609514385 VEWSNYASBWCXFR-XMMPIXPASA-N 440.499 5.293 30 20 IKED CC(C)N(C)Cc1ccccc1CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 609515752 BKELHLJBFWLNPE-UHFFFAOYSA-N 427.548 5.315 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1)c1cccc(C#N)c1 610386253 XVEMARMWIZYRQS-OAHLLOKOSA-N 435.936 5.179 30 20 IKED Cc1noc(C(F)F)c1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 610429354 CKWUMCZHDCVJQR-UHFFFAOYSA-N 437.324 5.856 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3ccccn3)CC2)cc1Cl 611093873 LFEWHYFDLOEYEZ-JOCHJYFZSA-N 430.939 5.802 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1Cl 611357341 XENYUKSDRSCGNY-SFYKDHMMSA-N 437.971 5.666 30 20 IKED COc1cccc(CC(=O)N2CCc3ccc(N[C@@H]4CCCc5cc(C#N)ccc54)cc32)c1 611482624 PSOOIIPGCZCIJE-AREMUKBSSA-N 437.543 5.188 30 20 IKED Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 611815207 AVJVQQZSEGZFHW-OAQYLSRUSA-N 430.512 5.235 30 20 IKED O=C(NCc1ccc(F)cc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618551608 YYRCVPDDCOWAQB-AOOOYVTPSA-N 440.281 5.117 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 642282381 LXFPVXQGAKJDQG-CQSZACIVSA-N 442.878 6.007 30 20 IKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccccc2)nnc1-c1ccc(Cl)cc1 659331311 GPJLFJPFQHVSEW-HXUWFJFHSA-N 438.984 5.240 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 670062786 BAAHIUOYOATVDI-YUMQZZPRSA-N 438.290 5.458 30 20 IKED Cc1nn(C)c(C)c1[C@@H](NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 670157881 TZRXPNYKDWZDKQ-CQSZACIVSA-N 433.318 5.468 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 670227840 BLBLTEXSKFVZHX-AZGAKELHSA-N 446.595 5.175 30 20 IKED O=C(Nc1ccc(C(F)(F)F)cc1Cl)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674568321 ZVPQBZVBLDMLEG-OCAPTIKFSA-N 428.682 5.563 30 20 IKED O=C(Nc1cnn(-c2ccccc2F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 674856986 LRMVHQNPIUXFFT-QWRGUYRKSA-N 438.347 5.042 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2ccc(F)cc2F)CCCC1 677658593 PRTCODVMLPLCSH-IMRBUKKESA-N 443.378 5.802 30 20 IKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc(F)cc2F)[n+]2ccccc2)cc1Cl 726570566 GJHJKBXBUQJSLO-UHFFFAOYSA-O 428.871 5.101 30 20 IKED COc1ccc(-c2cc(C(=O)N[C@@H](C#N)c3ccc(F)cc3)c3ccccc3n2)cc1OC 727644062 VAGKWKXNVKCXKD-QHCPKHFHSA-N 441.462 5.053 30 20 IKED C#CC[C@H](OC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)c1ccccn1 727775780 OYSVJTYRKAOODW-KXBFYZLASA-N 426.925 5.320 30 20 IKED COc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2cc(Cl)c(O)c(OC)c2)CC3)cc1 727780470 NYLUZDSMHMJIPJ-ZROIWOOFSA-N 427.909 5.399 30 20 IKED COc1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1F 727978449 LMBIIGDDRSMKIE-UHFFFAOYSA-N 441.915 5.747 30 20 IKED C#Cc1cccc(N(Cc2ccco2)C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c1 728182654 CPAGFXXDHBSSNH-UHFFFAOYSA-N 449.919 5.290 30 20 IKED CCCN(CCC)C(=O)c1cccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)c1 728766798 LBQRKIXVWYFGIX-QHCPKHFHSA-N 441.531 5.063 30 20 IKED C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)/C=C\c1ccccc1Br 730997764 UABLEBPVNRZLLC-BMSUMIBZSA-N 437.384 5.113 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C(C)(C)c1ccc(Cl)cc1 731073173 CKNUICOWXBPHTP-OAHLLOKOSA-N 430.957 5.194 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)OCC(=O)c3ccc(Cl)c(Cl)c3)cc2)nc1 732399274 YMNWHBQTVJXHGB-UHFFFAOYSA-N 427.243 5.092 30 20 IKED COc1cc(F)c([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC 734060177 PVFFGKWKIBCZQN-KKSFZXQISA-N 433.483 5.381 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccccc2)C2CCOCC2)cc1 734645051 ZSBXZUDAUZVQKP-UIOOFZCWSA-N 425.532 5.631 30 20 IKED N#C[C@@H](C(=O)C[C@H]1CCOc2ccccc21)C(=O)Nc1ccccc1Oc1ccccc1 735593365 KJTZXJAJDXJXHJ-NQIIRXRSSA-N 426.472 5.083 30 20 IKED COc1cc(COC(=O)[C@@H]2CSc3ccccc32)ccc1OCc1cccc(C#N)c1 735740036 MOQNHZLYBJOFSG-OAQYLSRUSA-N 431.513 5.079 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)Cc3csc(-c4cccc(C(F)(F)F)c4)n3)[nH]c12 735793349 SRXWIHPANTXTPA-INIZCTEOSA-N 440.450 5.433 30 20 IKED COc1ccc(/C=C(/Cl)c2nc3cc(-c4ccc(F)cc4)sc3c(=O)[nH]2)cc1C#N 741849689 ZOEDYSJVNDMQRM-CXUHLZMHSA-N 437.883 5.408 30 20 IKED C[C@H](NC(=O)c1ccccc1NC(=O)c1cccc(Br)c1)c1cccc(C#N)c1 743775071 HWGHYCRMJGBFLR-HNNXBMFYSA-N 448.320 5.064 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H](C)c2ccc(Br)s2)cc1 744032524 GIKZSEPWWLNPSL-ZENOOKHLSA-N 433.371 5.475 30 20 IKED O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1cnn(-c2ccccc2)c1 746346712 GTMBCGSCTPHQMV-YPKPFQOOSA-N 427.891 5.674 30 20 IKED COc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccc(C#N)c(Cl)n3)sc2c1 753005401 UWQJEESFJZEIQD-UHFFFAOYSA-N 434.908 5.072 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cccc(Cl)c1O 753162675 YIOZOLJNXBQWDA-UHFFFAOYSA-N 430.316 5.328 30 20 IKED COc1ccc(-c2nn(CN(C[C@@H](C)C#N)C3CC3)c(=S)n2C2CCCCC2)cc1 753986998 FUUHPNUVVHAVIR-KRWDZBQOSA-N 425.602 5.176 30 20 IKED Cc1sc([C@H](C)NC(=O)Cc2ccc(OCC#N)cc2)nc1-c1ccc(Cl)cc1 755620021 OGZYOMCBJBULLQ-AWEZNQCLSA-N 425.941 5.094 30 20 IKED Cc1nn(C)c(C)c1[C@H](OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C(F)(F)F 760779721 HEKUWWWBEQOHFL-NRFANRHFSA-N 443.425 5.356 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C\c3nc4ccc(F)cc4s3)SC2=S)cc1Cl 760986389 AHVGYTUPHQCXDE-VIZOYTHASA-N 431.926 5.366 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1cccc(C(=O)c2ccccc2)c1 762063205 SLVOGBOPWIULMB-YWZLYKJASA-N 428.488 5.646 30 20 IKED C=CCn1c(-c2ccc(C)cc2)nn(CN2CCC(C(=O)c3ccccc3)CC2)c1=S 764869428 LYIPKAMPLDKZNB-UHFFFAOYSA-N 432.593 5.128 30 20 IKED CN1C(=O)N(c2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C(=O)[C@@H]1Cc1ccccc1 771818772 OLKAZVXIZKHBOA-GGAORHGYSA-N 429.907 5.005 30 20 IKED C#CC[C@H](N[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21)c1ccccc1 773114850 KXKGCDHJZZTZFT-OBTVHEKISA-N 432.564 5.244 30 20 IKED CCOC(=O)c1oc2ccccc2c1CNC(=O)Nc1ccccc1SC[C@@H](C)C#N 775609354 NMFJDKNIQMGGMS-HNNXBMFYSA-N 437.521 5.183 30 20 IKED C[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1cccc(OCc2ccccc2)c1 777116173 DEBYIGBKAHDZEZ-HXUWFJFHSA-N 427.548 5.271 30 20 IKED Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl 778048103 AORONHCVAYQNIT-UHFFFAOYSA-N 434.811 5.082 30 20 IKED Cc1csc([C@@H](C#N)C(=O)CSc2nc3ccccc3n2-c2ccc(F)cc2F)n1 778565772 HPCRXSGYCRWYJX-AWEZNQCLSA-N 440.500 5.037 30 20 IKED CC(C)(C)OC(=O)N1CCCc2c(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)cccc21 778597891 FXVBDMAQATVJAO-FQEVSTJZSA-N 427.504 5.413 30 20 IKED CN(Cc1ncc(Cl)n1C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 779025603 OUKMOFXYPBGBMB-QGZVFWFLSA-N 428.323 5.046 30 20 IKED C[C@H](C#N)Oc1ccccc1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 779989131 OGQKJPRYSPGPMK-CYBMUJFWSA-N 442.269 5.520 30 20 IKED CCOc1ccc([C@H](NC(=O)Nc2ccccc2O[C@H](C)C#N)C(C)C)cc1OCC 780673884 GERSNTRDPQHHAA-UZUQRXQVSA-N 425.529 5.294 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(-c2noc([C@@H]3CCCN3c3ccc(C#N)cc3)n2)c1 782223714 SPUURNRCROGRCR-FQEVSTJZSA-N 431.496 5.297 30 20 IKED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(Br)cc(F)c1O 786956540 GLFHQVTYXBSYND-CYBMUJFWSA-N 446.320 5.050 30 20 IKED CC[C@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccccc1 787033421 HGLJKRFLIAJGOE-DQEYMECFSA-N 437.499 5.135 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CCn1c(S)nnc1-c1ccc(OC)cc1 789891519 YYLIHHIMGKSVAY-UHFFFAOYSA-N 436.581 5.123 30 20 IKED O=C(/C=C/c1cc(Br)c(Cl)s1)c1cc(Br)ncc1F 790223329 LAEKIPWLBYMVSJ-OWOJBTEDSA-N 425.504 5.357 30 20 IKED N#C[C@@H](C(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1)c1nccc2ccccc12 792098134 BKIOPNNPZOQVGC-NLFFAJNJSA-N 430.479 6.223 30 20 IKED O=C(/C=C/c1nc2ccc(Br)cc2s1)c1nc(Br)ccc1F 794965116 NKJUSPKAYMEXCE-GQCTYLIASA-N 442.107 5.252 30 20 IKED N#Cc1ccc(-c2csc(NS(=O)(=O)c3cc(Cl)ccc3C(F)(F)F)n2)cc1 795546543 KNPGQRLPGNGZOG-UHFFFAOYSA-N 443.859 5.155 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1 797625501 UAUKZRBSFUCKEP-QGZVFWFLSA-N 444.601 5.017 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3C[C@H](c4ccccc4)[C@@H]4COCC[C@H]43)c2)s1 806842030 FKFXNJZABDBXDL-TZRRMPRUSA-N 443.572 5.001 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1cccc(Cl)c1)[n+]1cc(O)cc(-c2ccccc2)c1 811723527 GLQFDYUXQPXMFT-UHFFFAOYSA-O 437.972 5.377 30 20 IKED C[C@H](CC(=O)N[C@@H](CCCC#N)c1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 817319040 JYXSVNDICRVELW-FCEUIQTBSA-N 427.589 5.211 30 20 IKED CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 916056747 HNEHIBIABLFCQL-LJQANCHMSA-N 427.932 5.239 30 20 IKED Cc1cccc2cc(C=Nn3c(S)nnc3Cc3cccc4ccccc34)c(Cl)nc12 916278856 ZNPRDLCPCAVZJN-UHFFFAOYSA-N 443.963 5.703 30 20 IKED N#C[C@H](C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 916888417 XRCXCWMFNMOAPZ-VWNXMTODSA-N 448.975 5.188 30 20 IKED N#C[C@H](C(=O)CCCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1Cl 916931478 LUWJFCSKKVQEAB-CYBMUJFWSA-N 444.145 5.970 30 20 IKED COc1ccccc1/C=C(\C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1 917040543 LNHJUKXGSYUCKA-YKRMCXMESA-N 443.453 5.857 30 20 IKED CC(C)c1cccc(N=C2NC(=O)[C@H](CC(=O)Nc3ccccc3C(F)(F)F)S2)c1 917634500 DIUIOTZQZJLACG-KRWDZBQOSA-N 435.471 5.077 30 20 IKED CCc1cc2c(CNc3cccc(OCc4cccc(C#N)c4)c3)cc(=O)oc2cc1O 917932175 YZDDNVOVWWGHHS-UHFFFAOYSA-N 426.472 5.124 30 20 IKED FC(F)n1c(=S)n(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ccccc21 918733576 QQDDAFINTAYXLX-AOOOYVTPSA-N 433.368 5.588 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4cccnc4n3)CCC2)cc1 1786102973 GBZYNQBZALHSSI-UHFFFAOYSA-N 440.547 5.146 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCc3cccc(C)n3)cc2)CCC1 1786738020 GAAXPQKWBQPXIC-UHFFFAOYSA-N 433.596 5.449 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cncc4cnccc34)CCC2)cc1 1789456893 YRAVFESUIIJZCT-JOCHJYFZSA-N 440.547 5.146 30 20 IKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CC=C(C)CC4)CCC3)cc2)c1 1790073034 HRMQPDPPUPXRRK-FQEVSTJZSA-N 443.547 5.061 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)oc3C(F)(F)F)CCC2)cc1 1791247476 YOOGKJGNIQGJPO-CQSZACIVSA-N 434.458 5.567 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc3ccc(Cl)cc3c1)C2 1792572800 WCWQOEYBYXGIDV-WKCHPHFGSA-N 439.987 5.132 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)/C(C)=C/c2cccs2)[C@H]1c1cccnc1 1810176346 XETIGGQFOLOTMQ-PVMVCBOASA-N 449.620 5.021 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2cccs2)n[nH]1 1817496899 JFLKHKIEHMBQIW-GNISGLHKSA-N 426.586 5.169 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(C)ccc3[nH]2)[nH]n1 1819554880 SKCWSPTUGZIFQH-QFIPXVFZSA-N 447.583 5.498 30 20 IKED CC(C)c1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)cc1 1820594681 CHWODWHQGQMATF-HSZRJFAPSA-N 441.535 5.024 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)c2ccc(Cl)cc2)[nH]n1 1821917632 ZKEHMSQOFPVHAW-RZQQEMMASA-N 428.964 5.071 30 20 IKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC2CCC(C)(C)CC2)CC1 1824538832 OOIIFKICGYTHFT-GMAHTHKFSA-N 436.706 5.167 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCc2ccncc2)CC1 1825252037 UUONQEWRJNYAOW-DEOSSOPVSA-N 439.644 5.016 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)CCc2ccc(C)c3ccccc23)C1 1847153136 OTOSYLLNRUDNAO-QHCPKHFHSA-N 430.592 5.053 30 20 IKED C=CC[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CCC(c2ccc(Cl)cc2)CC1 1847618994 IKVLGJDBGNEKIP-CGEUBUBCSA-N 429.004 5.028 30 20 IKED CC(C)c1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(O)c2)cc1 11264561 HUVCYDDBDSJCIA-UHFFFAOYSA-O 433.597 5.977 30 20 IKED Cc1ccccc1-c1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)o1 14047932 GKGBQYLQQJOIGT-UHFFFAOYSA-N 435.553 5.181 30 20 IKED C=CCn1c(SCc2nc3ccccc3n2C(F)F)nnc1-c1ccc(OC)cc1 14902748 CEJDDUXXMLMWEH-UHFFFAOYSA-N 427.480 5.177 30 20 IKED Cc1ccc(Nc2nnc(S[C@H](C)C(=O)NC3(C#N)CCCCC3)s2)cc1Cl 16325476 RUSXBFOGSSIVAN-CYBMUJFWSA-N 436.006 5.067 30 20 IKED Cc1ccc(Nc2nnc(SCC(=O)Nc3ccc(CC#N)cc3)s2)cc1Cl 16325568 XIFZRLIIKPPIRE-UHFFFAOYSA-N 429.958 5.040 30 20 IKED COc1ccc2c(c1)CC/C(=C/c1csc(N(C(C)=O)c3ccc(F)cc3F)n1)C2=O 21674833 XHNKURQZJWHKDW-DHDCSXOGSA-N 440.471 5.327 30 20 IKED COc1ccc(C)cc1NC(=O)[C@H](Sc1nc2c(c(C)c1C#N)CCC2)c1ccccc1 22121154 KEASNKYTPSSWEK-XMMPIXPASA-N 443.572 5.540 30 20 IKED Cc1cc(N(CCC#N)C(=O)CSc2nnc3cc(C)c4ccccc4n23)ccc1Cl 29354456 WVEGBEZQPNPIMH-UHFFFAOYSA-N 449.967 5.192 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 72025254 WVFDLJNQYKXHPP-MRXNPFEDSA-N 433.489 5.687 30 20 IKED N#Cc1cc(NC(=O)COc2ccccc2-c2ccccc2)ccc1OCC(F)(F)F 117102217 NOARYYQSENPKSO-UHFFFAOYSA-N 426.394 5.184 30 20 IKED C=CCn1c(SCc2cccc(C(=O)N3CCCCC3)c2)nnc1-c1ccccc1F 195691191 GPYREZVJJHRLHC-UHFFFAOYSA-N 436.556 5.189 30 20 IKED CCCOc1c(Cl)cc(/C=C\C(=O)c2ccc(N3CCC(O)CC3)cc2)cc1OCC 210161554 KTQLFTMVVHOEJB-YHYXMXQVSA-N 443.971 5.385 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]1c1nc2ccccc2s1 303363751 HYHUWHHSIIQTIA-VQIMIIECSA-N 436.606 5.324 30 20 IKED CC(C)(C)C[C@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccccc1 409511436 FIKZYDVUPMUZEP-QHCPKHFHSA-N 432.568 5.096 30 20 IKED C=CCCc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 410363533 JLOKCLQTNIWKIU-UHFFFAOYSA-N 430.470 5.315 30 20 IKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1ccc(C#N)cc1Cl 426156130 FLYGHTUFFTVREB-UHFFFAOYSA-N 430.295 5.359 30 20 IKED CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 431882319 NJVDKAVWTMUIAF-XMMPIXPASA-N 443.551 5.307 30 20 IKED C=CCN(C(=O)[C@H]1CCCc2sccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 434001247 HMOUWDWHNLZFBE-KRWDZBQOSA-N 425.535 5.419 30 20 IKED CC(C)(C)C[C@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccc(Cl)cc1 434820973 HYFSHOBGURQONK-SFHVURJKSA-N 428.964 5.000 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1cnc2ccsc2c1 437221044 XSCNCNOEBDETEB-UHFFFAOYSA-N 437.521 5.011 30 20 IKED CCOCCOc1c(Cl)cccc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 438090333 AJRWJDOJFNTNAZ-GHTZIAJQSA-N 427.932 5.059 30 20 IKED COc1ccc(CN(C)[C@H]2CCOc3ccc(Br)cc32)cc1OCCCC#N 438477787 MNENJTDGZHZARV-IBGZPJMESA-N 445.357 5.096 30 20 IKED N#Cc1cnc2c(Br)cccc2c1N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 440657341 FQOLPOHVDIJXCI-VQIMIIECSA-N 426.289 5.340 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)c1ccc(Br)cc1 444731689 HCYHCHPFORGGRZ-GJZGRUSLSA-N 432.387 5.133 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)c1C#N 445557288 KRABKIJMYHWOPT-SJORKVTESA-N 442.466 5.227 30 20 IKED C[C@H](c1ccccc1)N1CC(=O)N(c2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1=O 445994314 WGWHCQOZHJUSBV-MRXNPFEDSA-N 431.879 5.534 30 20 IKED N#CCC[C@H](NC(=O)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1ccccc1 468127541 AYPSOIKYCKBXSQ-SFTDATJTSA-N 430.577 5.260 30 20 IKED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)Nc2cc(-c3ccccc3)ccc2Cl)c1 471432153 IHNVCAYMCFCMON-QHCPKHFHSA-N 429.907 5.008 30 20 IKED Cc1c(C#N)c(NC(=O)CCSc2ncc(C(C)(C)C)o2)n(Cc2ccco2)c1C 474396017 LZJWJLYWERCOPJ-UHFFFAOYSA-N 426.542 5.024 30 20 IKED C=CCOc1c(Br)cc(CNc2ccc(F)cc2-c2nnc(C)o2)cc1OC 475362124 SUUGDXVLPPZHGO-UHFFFAOYSA-N 448.292 5.132 30 20 IKED CCCC[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1 475458774 NKYKYQLZPIVHRR-DEOSSOPVSA-N 446.595 5.015 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccccc1CN(C)Cc1ccco1 475551898 ZIHLDPJJDGNGIN-UHFFFAOYSA-N 431.580 6.085 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 475555867 ZERBUTCHSODGJW-NRFANRHFSA-N 429.568 5.735 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](CC)[C@H](c1ccc(C)cc1)n1cncn1 475577423 DOWUNTVMXAGXIM-ZCYQVOJMSA-N 431.584 5.628 30 20 IKED Cc1nn(CC(F)(F)F)cc1C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F 477284812 ASUCVXKIENFOTR-UHFFFAOYSA-N 447.351 5.382 30 20 IKED C=C(C)[C@@H](NCc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1)c1ccc(F)c(F)c1 479407192 KYCCTHMDJIDXCN-OAQYLSRUSA-N 447.938 6.166 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCCOc1ccc(Cl)c(F)c1 479574501 AUSZLFODCNDTRS-AWEZNQCLSA-N 438.977 5.624 30 20 IKED Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3cnc(Nc4ccc(Cl)cc4)c(Cl)c3)nc12 482866045 ZMCCCXURUVSCFT-OAHLLOKOSA-N 437.290 5.202 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nccc3ccccc23)nnn1-c1ccc(-c2ccccc2)cc1 483207707 GKPSWEICSYWCKC-DEOSSOPVSA-N 429.483 5.281 30 20 IKED N#C[C@H](C(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1nccc2ccccc12 483228103 LCNDZCIPVVCHSA-IBGZPJMESA-N 447.420 5.202 30 20 IKED Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 485482592 TXGFZEBFZSDJFU-LBPRGKRZSA-N 445.285 5.383 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC(c4ccsc4)CC3)s2)cc1 486534548 QLIHNWWNTGZRFN-UHFFFAOYSA-N 441.607 5.175 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 494013224 ZALDVKKWTNQSRB-PMACEKPBSA-N 448.320 5.559 30 20 IKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1(c2ccc(F)cc2)CCOCC1 494441658 AQCSOBIDXXAESI-UHFFFAOYSA-N 435.339 5.550 30 20 IKED N#C[C@@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)c1cccc(Br)c1 496290024 ILFGKAUDGRORLE-QGZVFWFLSA-N 446.757 5.150 30 20 IKED N#Cc1cccc(COc2cccc(CN3CCC4(CC3)OCCc3ccsc34)c2)c1 497075566 ALNICWALSVBBAR-UHFFFAOYSA-N 430.573 5.263 30 20 IKED C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 505918783 KHPIUDUZNZSLMU-UXHICEINSA-N 435.543 5.216 30 20 IKED Cc1sc2ncnc(Sc3ccccc3C(=O)N[C@@H](C#N)c3ccccc3F)c2c1C 505949041 RTWSTYBJFVIELI-SFHVURJKSA-N 448.548 5.593 30 20 IKED C=CCn1c(Cc2cccc3ccccc23)nnc1N(C)Cc1csc([C@H](C)OCC)n1 508874514 QWKWVUQCRDHHGC-SFHVURJKSA-N 447.608 5.399 30 20 IKED Cc1ccc(CN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C(C)C)s1 509195060 JNSQXLXFHWEVBG-UHFFFAOYSA-N 443.623 5.515 30 20 IKED CN(C)C(=O)c1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 510023533 LPUDDQZEUOJOJT-QFIPXVFZSA-N 446.938 5.019 30 20 IKED C[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 510218669 TZDVMJOPCABEID-CYBMUJFWSA-N 438.896 5.301 30 20 IKED CC[C@@H](C)n1ncc2c(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cc(C)nc21 510855056 TWLFUVHXYRYGAN-GOSISDBHSA-N 439.519 5.414 30 20 IKED CC(C)N(Cc1cccc(F)c1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 513984658 FRLBHWTVWGXOCN-UHFFFAOYSA-N 441.557 5.284 30 20 IKED N#C[C@H](C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1nc2ccccc2n1C(F)F 515540438 UEUVEOCQUFOFFM-GOSISDBHSA-N 430.414 5.174 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 518661237 VAAGYEBIHPEJBN-LJQANCHMSA-N 428.557 6.207 30 20 IKED CN(C)c1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(C(F)(F)F)c1 520322034 XTFSYHLXVOIEMM-UHFFFAOYSA-N 439.437 5.882 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)nnn1-c1cccc(Cl)c1 520562157 VBWVXQGEMKCQTQ-UHFFFAOYSA-N 429.867 5.145 30 20 IKED N#C[C@H](C(=O)c1cc(Cl)c2c(c1)OCCCO2)c1nc(-c2c(F)cccc2F)cs1 521262502 NMWQOOJPSRZVEE-GFCCVEGCSA-N 446.862 5.393 30 20 IKED CCn1c([C@@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)nc2ccccc21 522171372 SDOMYCSZZKHHLJ-QGZVFWFLSA-N 426.545 5.570 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3occc3COc3cccc(C#N)c3)c2)c1 522535754 GEHZLENAKXLEKO-UHFFFAOYSA-N 449.466 5.433 30 20 IKED COc1ccc2cc(CN(C)CC(=O)Nc3ccccc3S[C@@H](C)CC#N)ccc2c1 532893544 LHODFHJMNPDYTH-SFHVURJKSA-N 433.577 5.313 30 20 IKED N#C[C@H](C(=O)c1cccc(-n2ccnn2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 534469045 VWWGPINMWTVISF-MRXNPFEDSA-N 440.315 5.188 30 20 IKED COc1ccccc1COC1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 535818527 SMKYTNJCDQDZHQ-UHFFFAOYSA-N 442.515 5.181 30 20 IKED CC[C@@H](C)n1ncc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1C1CC1 536347674 FKAUVSNEBIDLEO-OCCSQVGLSA-N 426.492 5.623 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 537517929 XIPVRVCAFYVHTA-QFBILLFUSA-N 432.553 5.235 30 20 IKED C=CCOc1c(Br)cc(/C=C(/C)c2nc(O)c3ccsc3n2)cc1OCC 537652446 QDPVQNNMBOHIIE-XFXZXTDPSA-N 447.354 5.683 30 20 IKED CC(C)(C)c1cc(NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)c(C#N)s1 540274503 TWJHDJHXAJEZKS-UHFFFAOYSA-N 447.333 5.257 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H](C)C[C@@H]2c2cccc(OC)c2)cc1 543280365 NFGWOGZUQSEIBZ-NTKDMRAZSA-N 433.552 5.124 30 20 IKED Cc1ccc([C@H]2CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)C2)cc1 544223200 ZVOCKLGDFMMSCZ-DEOSSOPVSA-N 425.532 5.662 30 20 IKED N#CCCn1cc(/C=C/c2nc(-c3cnc(Oc4ccccc4)cn3)no2)c2ccccc21 545811292 XEZGHLWERVDGNR-VAWYXSNFSA-N 434.459 5.358 30 20 IKED COc1ccc(CCN(Cc2ccsc2)C(=O)c2ccc(C#N)c(Cl)c2)cc1OC 547961085 ZOYSULTUKTYQAB-UHFFFAOYSA-N 440.952 5.175 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1CCC(OC[C@H]2CCCO2)CC1 549608273 NEPMFUWBEKXJMB-SLXFGWRHSA-N 434.536 5.352 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)cc1C 552794040 MCZYSDARPHSRQY-UHFFFAOYSA-N 442.519 5.077 30 20 IKED N#Cc1cc(Oc2ccc(NCc3nnc(-c4ccccc4Br)o3)cc2)ccn1 558592651 LSWGTTKGHPPBMF-UHFFFAOYSA-N 448.280 5.170 30 20 IKED CCOCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(C)(C#N)CC1 559035033 VSJNUGYIVCRLNA-UHFFFAOYSA-N 444.004 5.370 30 20 IKED C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1cc(C#N)ccc1Cl 563269947 ZRUBXJQXMKTBSL-KBPBESRZSA-N 430.335 5.520 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCCC[C@H]2c2ccccc2)cc1 571577545 ACEKEPDOLGOBCO-SANMLTNESA-N 425.532 6.091 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@H]1c1nnc(C2CCC2)o1 577419171 PGYXGBRDAOGZCS-QAPCUYQASA-N 425.558 5.490 30 20 IKED CCc1ccc([C@H](C#N)N(C)C(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)cc1 583179418 WIQYJBUWWOPRCS-IBGZPJMESA-N 435.549 5.035 30 20 IKED N#Cc1ccc(NC(=O)c2sc(-c3ccccc3)nc2C(F)F)cc1Br 589009893 FJBHVEQIDXKYNL-UHFFFAOYSA-N 434.265 5.634 30 20 IKED O=C(CCc1ccc(OC(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 589320243 GXIDYJUWDZQEPK-TXEJJXNPSA-N 437.302 5.107 30 20 IKED CC(C)(C)CC(=O)Nc1ccc(CC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 589471222 WGYIRRDVUXVJKV-UHFFFAOYSA-N 442.519 5.301 30 20 IKED Cc1c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)sc2nc(C(F)(F)F)ccc12 603557680 SRPNKGACBRIYLX-VIFPVBQESA-N 435.496 5.934 30 20 IKED COc1cc(C)ccc1Oc1ccc(NC(=O)NCCSCc2ccccc2C#N)cn1 603690548 SZMRQEFUYQHDCQ-UHFFFAOYSA-N 448.548 5.118 30 20 IKED Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604027219 OKZALMKBNRRWIE-UHFFFAOYSA-N 436.943 5.655 30 20 IKED COCCOCc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 604098505 DZLIMEGTZCNXPH-UHFFFAOYSA-N 432.545 5.266 30 20 IKED C=CCOc1cccc(CN[C@@H](c2ccc(CC)cc2)c2cccc(S(C)(=O)=O)c2)c1 608067991 YHTNTDCRCHZMEF-SANMLTNESA-N 435.589 5.097 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)cc1 608841071 JPUIRBLJXBFWSA-UIOOFZCWSA-N 441.531 5.373 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc4ccccc4c(O)n3)cc2Cl)c1 609072760 DRGYGLCQUZWEHV-UHFFFAOYSA-N 429.863 5.297 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1n[nH]c(-c2ccccc2)c1Br 609430509 JNJPCQBSENQNRM-ZDUSSCGKSA-N 441.354 5.486 30 20 IKED Cc1nc(-c2ccccc2)sc1CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 609503458 RDUUIPHGCNBSMP-UHFFFAOYSA-N 426.501 5.108 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cc(F)ccc3OC[C@H]3CCCO3)cc2)cc1 609505232 MULSNXCHFVSQEZ-HSZRJFAPSA-N 446.478 5.494 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccccc3NCC(F)(F)F)c2)c1 609661108 UPALQADIRXFVCB-UHFFFAOYSA-N 425.410 5.364 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccncc2)c1 609722250 MHXUZAGCDFNHGI-VWLOTQADSA-N 439.902 5.918 30 20 IKED CN(C)[C@H](CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccsc1 609731199 PXXWKSHXYZMPBE-HXUWFJFHSA-N 425.941 5.098 30 20 IKED COC[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccc(C(F)(F)F)c1 609827082 UJYXPQVHLHYCDD-KBXCAEBGSA-N 437.487 5.609 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1C 610054244 GFVAJVMIPHICPI-UHFFFAOYSA-N 447.498 5.064 30 20 IKED CC(C)c1nc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)nn1-c1ccccc1F 610224726 JJWIOXOLTKWYFO-UHFFFAOYSA-N 431.496 5.382 30 20 IKED COc1ccc2[nH]cc(CCNC(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)c2c1 610334677 HLOBEYDBRAJOFC-UHFFFAOYSA-N 444.466 5.344 30 20 IKED C[C@@H](NC(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21)c1cccc(C#N)c1 610408052 FTMUZIYMLBMTHY-FZKQIMNGSA-N 430.371 5.260 30 20 IKED COc1ccc(C2(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)CCOCC2)cc1 610497892 UHTDJERMVZBTOW-UHFFFAOYSA-N 444.556 5.154 30 20 IKED CC(C)Cn1ncc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1C(F)F 611169247 YTBBIXRYCAMWCJ-UHFFFAOYSA-N 426.427 5.180 30 20 IKED N#C[C@@H](C(=O)c1ccc(OCc2cccnc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 642281964 XOQNWXJYCKUKMJ-NRFANRHFSA-N 445.931 5.928 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 670230072 WODXKSASUMGMDY-YWZLYKJASA-N 444.988 5.211 30 20 IKED C=C(CNC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)c1ccccc1 672622724 PGZPRCYGIMMHFX-UHFFFAOYSA-N 429.398 5.386 30 20 IKED C[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1c(Cl)ccc(F)c1Cl 674426931 KYLSWCXWJHGLBA-PRJMDXOYSA-N 441.174 5.576 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 678204370 BQIXGEVBALJJLC-IJLUTSLNSA-N 440.281 5.201 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1 679189353 VJPALQXPKMXVII-SECBINFHSA-N 443.338 5.459 30 20 IKED Cc1c(Br)ccc(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1F 684044865 JTGXDSZLUUPOFQ-IUCAKERBSA-N 436.165 5.100 30 20 IKED Cc1nc(/C=C/c2csc([N+](=O)[O-])c2)sc1C(=O)/C=C/c1csc([N+](=O)[O-])c1 726849177 XOQAVIVFQZEVLS-ZUVMSYQZSA-N 433.492 5.457 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)c(Cl)nc2Cl)cc1Cl 728812538 DVLZUGMJYNEZQX-OAHLLOKOSA-N 434.685 6.089 30 20 IKED N#C[C@H](C(=O)Cc1cccc(OCc2ccccc2Cl)c1)c1nc2ccccc2s1 730071748 QUSPAFCUPCWKOP-LJQANCHMSA-N 432.932 5.948 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)O[C@H](c1cccc(Cl)c1)C(F)(F)F 730419533 ZYKYCVSBHKKIOL-LJQANCHMSA-N 427.806 5.226 30 20 IKED COc1ccc(C2(NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CCOCC2)cc1 730422750 AVQVDISMJFOTGN-VWLOTQADSA-N 441.531 5.178 30 20 IKED Clc1ccc(NN=C2CCCc3nc(-c4ccccc4Br)sc32)nn1 730429285 BPXIQBFDBZGGTH-UHFFFAOYSA-N 434.750 5.169 30 20 IKED COc1ccc(N2CCC(NC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)cc1 731400047 KPNJUROCTTXWJP-UHFFFAOYSA-N 442.519 5.150 30 20 IKED N#CCOc1ccc(CC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1 731966126 KTAZBLSHZUYDJH-UHFFFAOYSA-N 432.332 5.124 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(F)cc4)cn3)cc2)nc1 731992848 SFUIRRVGQPAZRM-UHFFFAOYSA-N 426.407 5.324 30 20 IKED Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1ccn(C(C)C)n1 733091945 BZZKMAWOTXQYMF-NRFANRHFSA-N 449.536 5.299 30 20 IKED CC(C)(C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1cccs1 734318857 UTIUCGGMZHDIEM-UHFFFAOYSA-N 435.496 5.602 30 20 IKED C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1 739153802 DUPJFCJDIVUSHF-NHYWBVRUSA-N 443.252 5.853 30 20 IKED COc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)CC(F)(F)F)cc2)c2ccccc12 741851909 FMKVTUSJQOKZTC-XYOKQWHBSA-N 434.435 5.081 30 20 IKED COc1cc(/C=C\C(=O)c2cnn(-c3ccccc3)c2)cc(Br)c1OC(F)F 746347021 WXIBFCLGPBBVEY-FPLPWBNLSA-N 449.251 5.141 30 20 IKED C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(F)c1 747109136 WVFPUWKLIMUPGI-UWJYYQICSA-N 444.462 5.174 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)n1 747197352 FJBOQCAUDZPIEY-HNNXBMFYSA-N 435.496 5.828 30 20 IKED Cc1nnc(-c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2)o1 747564437 JRZASHHQJQNARC-UHFFFAOYSA-N 441.466 5.290 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)ccc1OC 747582626 UKFIIBAILSIVGP-XGHQBKJUSA-N 443.975 5.363 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(C2CC2)[C@H]2CCCc3ccccc32)ccc1OC 751094181 JZFUQZVPYMPACS-GGAORHGYSA-N 433.552 5.128 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N[C@H](C[C@H]3CCOC3)c3ccccc3)c2)s1 753064650 MNGZNSQDLCUWQF-AUSIDOKSSA-N 431.561 5.254 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H]2c2ccccc2Br)c1 755167275 SVLDTEYKSXTYMD-DYESRHJHSA-N 442.357 5.177 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 757205987 IBRNEEPPVHLKGR-JOCHJYFZSA-N 435.549 5.175 30 20 IKED N#Cc1ccc(Oc2ccc(OC(=O)[C@H](OC3CCOCC3)c3ccccc3)cc2)cc1 759423607 XGXLQJFWOPPQTD-RUZDIDTESA-N 429.472 5.193 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 760800790 MLLPVJQVBIGRIO-UHFFFAOYSA-N 432.238 5.474 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)Nc3ccccc3Oc3ccccc3Cl)CCO2)c1 761826010 WCHZJJAZSGOLSS-QHCPKHFHSA-N 433.895 5.609 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)c3cc(-c4ccccc4)nc4cc(F)ccc34)CCO2)c1 762313095 QVMGSXZCOWMLCD-SANMLTNESA-N 437.474 5.126 30 20 IKED CC(C)c1c(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)cnn1-c1ccc(Cl)cc1 764317302 ZQXYAJJKMLWTGW-UHFFFAOYSA-N 444.278 5.335 30 20 IKED CC(C)(C)OC(=O)NC[C@](C)(NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C1CC1 765910718 UBEXFJMMZWQOEX-NVQXNPDNSA-N 448.567 5.157 30 20 IKED COc1ccc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)c(OCc2cccnc2)c1 766483270 GCDBCYWBSSVGCG-WSDLNYQXSA-N 445.544 5.178 30 20 IKED Cc1nc2ccccc2n1Cc1cc(NC(=O)Cc2ccccc2CC#N)ccc1Cl 776910451 STOFVAFABWHKNN-UHFFFAOYSA-N 428.923 5.294 30 20 IKED CC(=O)N1C/C(=C\c2cccc(NC(=O)c3ccccc3Cl)c2)C(=O)c2ccccc2C1 778520373 VJMMEBVRIIBIRN-DEDYPNTBSA-N 444.918 5.221 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H](c2ccc(F)cc2)c2ccc(OC)cc2)ccc1OC 779102139 QTSAVGIRCZVCMR-BKMJKUGQSA-N 434.511 5.403 30 20 IKED N#CC1(COC(=O)c2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)CCOCC1 780540634 JRQFJANEEDZOMT-UHFFFAOYSA-N 430.460 5.143 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 780673285 QISNFABJKWHQOL-GOSISDBHSA-N 428.467 5.223 30 20 IKED C[C@@H](NC(=O)Nc1ccc(N2CCOC2=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 782562904 KYNQPBAJGAPEBG-QGZVFWFLSA-N 426.476 5.065 30 20 IKED Cc1cccnc1C(F)(F)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 783216456 LCDNSUIOFROEDZ-UHFFFAOYSA-N 427.838 5.225 30 20 IKED Cc1cc(-c2nnc(COC(=O)c3ccc(Sc4ccccc4C#N)cc3)o2)c(C)o1 783983318 SVTQLZDMZQTGMA-UHFFFAOYSA-N 431.473 5.326 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cc(Br)ccc3F)n2)cc1 784498410 JPFSEYKEKOIWTE-INIZCTEOSA-N 440.297 5.002 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(CNC(=O)OC(C)(C)C)c1 786930676 UTDLECXWONFIIU-INIZCTEOSA-N 425.554 5.358 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)N[C@@H](CC)c3ccccc3)s2)cc1 787041327 YIAYVMRJDMLGRF-RTWAWAEBSA-N 447.560 5.107 30 20 IKED CC(=NNc1nnc(-c2ccccn2)s1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 788032307 QHKZSAJTJFIDSM-UHFFFAOYSA-N 431.365 5.474 30 20 IKED Cc1cc(CON=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)ncn1 793823069 JPKYHSFNSXUGBF-UHFFFAOYSA-N 439.515 5.494 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](O)c2cccc(C(F)(F)F)c2)cc1 795941285 VVBIBFOCQXVRHM-OAQYLSRUSA-N 442.393 5.050 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)s1 797570872 KJLMGAXUWGDUNL-GHTZIAJQSA-N 445.588 5.322 30 20 IKED Cc1ccccc1[C@@H](O)C1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 804507024 UXVOEEYXOHASSP-MHZLTWQESA-N 440.543 5.032 30 20 IKED COc1ccc(-c2nnc(S)n2N=Cc2c(Cl)ccc(Cl)c2Cl)cc1OC 818238790 NBHSALUGCASPBT-UHFFFAOYSA-N 443.743 5.093 30 20 IKED C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1F 838547596 PEJHXYDIVWQLGL-SFHVURJKSA-N 449.910 5.073 30 20 IKED CC(C)Oc1ccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)cc1 915958613 NRXDEEOZVGLARU-UHFFFAOYSA-N 437.352 5.122 30 20 IKED Cc1csc([C@H](C#N)C(=O)[C@H](Oc2cccc(Br)c2)c2ccccc2)n1 916843668 AZUVWQOVWGGKLV-IEBWSBKVSA-N 427.323 5.211 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cn(Cc2ccccc2)c2ccccc12 916908820 JQMDKYYBHODVGM-LJQANCHMSA-N 427.891 5.304 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 916912686 SIPSLLLBQKIYGD-AWEZNQCLSA-N 449.746 6.336 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccccc2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997540 WCHFJTSSBNQVJE-OAHLLOKOSA-N 440.315 5.188 30 20 IKED CC[C@H](C)c1ccccc1OCC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042806 GPADHIWMURTNHY-BBRMVZONSA-N 432.467 6.084 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1C=NNc1nc(C(F)(F)F)nc2ccccc12 917215354 NQENESIGEOLJTF-UHFFFAOYSA-N 444.848 5.301 30 20 IKED Cc1ccc(C)c(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(C(C)(C)C)cc2)c1 917612032 BXPXHTCDPUPZIT-UHFFFAOYSA-O 442.608 6.083 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCOc2ccccc2Br)cc1 917668786 GNYVFVIADCWOFB-FQEVSTJZSA-N 435.321 5.512 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3ccccc3OC(F)(F)F)n2)cc1 920143553 XUBNYFHEBQCKOC-DOOKAGJSSA-N 439.418 5.470 30 20 IKED CCO[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1 920325089 YGLAYELXZRGGKJ-OXQOHEQNSA-N 431.344 6.071 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(N2CCOC2=O)cc1 920977029 IUIMPBCMPFWKOB-QGZVFWFLSA-N 442.475 5.190 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(F)ccc4F)cc3)CCC2)cc1 1790220963 MALYYXQTDITFLK-UHFFFAOYSA-N 445.469 5.092 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccccc3Br)CCC2)cc1 1791589493 FBOYEXCLLTUDHX-NTEUORMPSA-N 439.353 5.173 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)c2ccc(C)cc2)[C@@H]1c1cccnc1 1812755033 FFKPCTYHUQAEAG-SDUSCBPUSA-N 447.623 5.192 30 20 IKED CC(C)[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC#N)CC1)c1ccc(Cl)cc1 1824246099 FHCUKEGGJLNBJP-VWNXMTODSA-N 444.019 5.003 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C(C)=C/c2ccc(C)o2)CC1 1829008859 UGAROHKBCKWTQF-BKWQBPKISA-N 440.628 5.603 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 1831371667 YMAJVGHGCCZJBJ-CVDCTZTESA-N 443.031 5.204 30 20 IKED C=CCn1c(SCc2cc(-c3ccc(OC)cc3)no2)nnc1-c1ccccc1OC 11389910 CHOQJQUWOVYLHU-UHFFFAOYSA-N 434.521 5.096 30 20 IKED Cc1ccc(N(CCC#N)C(=O)CSc2nn(-c3ccccc3)c(=S)s2)cc1C 12009009 GPPSISYMRJKNCD-UHFFFAOYSA-N 440.619 5.319 30 20 IKED CCOc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1 15188879 VXJYREIASWNSBM-YRNVUSSQSA-N 428.460 5.401 30 20 IKED COc1ccc(/C=C(/C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cc1OC 18065109 UPDZAELKIRNGGN-XSFVSMFZSA-N 449.934 5.879 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2 72025311 VTSDHFXGDCIISO-UHFFFAOYSA-N 434.879 5.265 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)n1 138147391 QZPDBIDAOPGXGN-SECBINFHSA-N 434.270 5.707 30 20 IKED C[C@H]1CCCCN1Cc1ccccc1CNCc1cn(CCC#N)nc1-c1ccccc1 237522595 QQSVEOSSCNHPEO-QFIPXVFZSA-N 427.596 5.128 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CSc1ncnc2sc(-c3ccccc3)cc12 255941840 UQNGNNWEBZUKAD-UHFFFAOYSA-N 436.949 5.614 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1OCc1cccs1 409799710 XFFHLQHUJAQFJG-UHFFFAOYSA-N 441.512 5.947 30 20 IKED C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1)c1ccc(F)c(F)c1 429990957 LHNRBAGLTXMZNR-GOSISDBHSA-N 440.412 5.177 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)N[C@@H]1CCN(c2sccc2C#N)C1=O 434881219 TXMGXYZMGYOFNZ-YVEFUNNKSA-N 442.997 5.161 30 20 IKED C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1 437932660 MDSOUSRTKKOASV-OKHDYOJBSA-N 444.579 5.108 30 20 IKED Cc1ccc(OC2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CC2)cc1 438653309 XNCSLGVUOJOBEY-UHFFFAOYSA-N 445.494 5.873 30 20 IKED C[C@@H](Cc1ccc(Cl)cc1)N(C[C@@H](C)O)C(=O)Nc1ccccc1SC[C@H](C)C#N 441639703 XJYDPANRMZVPHB-FGTMMUONSA-N 446.016 5.438 30 20 IKED N#Cc1cc(F)ccc1NC(=O)C(=O)Nc1cccc(Sc2ccc(Cl)cc2)c1 441751978 KXGHPIRNGUYNHY-UHFFFAOYSA-N 425.872 5.079 30 20 IKED COCc1nc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c(-c2ccccc2)s1 442525611 LNUFBINYZYOGKF-AWEZNQCLSA-N 438.459 5.191 30 20 IKED N#C[C@H](C(=O)c1ccc(OC2CCOCC2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 442672513 QOKLFIBENXAUOQ-HXUWFJFHSA-N 438.936 5.511 30 20 IKED O=S(=O)(Cc1cccc(NCC#Cc2ccc(Cl)cc2)c1)c1ccc(F)cc1F 443537141 HZXWERCCYJYCIZ-UHFFFAOYSA-N 431.891 5.056 30 20 IKED C=CCN(C(=O)c1cccc(-c2cscn2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 443819227 VJSFNECYUAFIHW-UHFFFAOYSA-N 448.529 5.675 30 20 IKED C[C@@H](C#N)CN(C(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1)C1CC1 445042283 ONGHYYKSCKTTKS-LBPRGKRZSA-N 433.965 5.437 30 20 IKED C=C(C)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1 460564804 GGNZCLILRJEEGN-UWJYYQICSA-N 441.501 5.446 30 20 IKED C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)[C@H]1c1cccc(F)c1 461811409 LKOHGCQOAFWTEL-DQMJNTIXSA-N 445.542 5.112 30 20 IKED CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 465289165 AJQLGWSPBQCUOK-UHFFFAOYSA-N 442.515 5.274 30 20 IKED COc1ccc(C(C)(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1OC 466307867 OSXAQTCRMRWYKN-UHFFFAOYSA-N 446.503 5.293 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCc1ncc(-c2cccc(Br)c2)o1 467265878 ZOYVDLPCIHGAIX-AWEZNQCLSA-N 428.355 6.110 30 20 IKED C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NCc1nnc(-c2cccc(C#N)c2)o1 471623275 ZLJSDHRPGFGCKS-IYBDPMFKSA-N 449.942 5.277 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1cccc(Cl)c1)C1CCCCC1 472368026 IVJNWDUAXMPSDR-HSZRJFAPSA-N 425.960 5.300 30 20 IKED CCc1ccc(-c2noc([C@H](C)NC(=O)Nc3ccccc3S[C@@H](C)CC#N)n2)cc1 473828682 YKGUFFXLPQPFNT-HOTGVXAUSA-N 435.553 5.576 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 475548925 KXPGGMVSHSWFTO-NRFANRHFSA-N 435.612 5.560 30 20 IKED CC(C)[C@@H]1CCc2ccccc2N1C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 476383111 VBUHROCTKVQDPW-NRFANRHFSA-N 444.535 5.027 30 20 IKED C=CCn1c(SCC(=O)Nc2cc(C)c(O)c(C)c2C)nnc1-c1ccc(Cl)cc1 478998088 VDIDCPPRBMGJHI-UHFFFAOYSA-N 442.972 5.146 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(OCc4ccccc4)CC3)cc2)cc1 480373939 AOCMXMKHGKBBRI-UHFFFAOYSA-N 427.504 5.564 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 481906840 TXXWMYMQMJJPCT-UHFFFAOYSA-N 429.908 5.312 30 20 IKED C=CCSc1ccccc1C(=O)Nc1cc(OCC)c(OCC)cc1Br 486253422 RCPDLBCKGISMGZ-UHFFFAOYSA-N 436.371 5.777 30 20 IKED N#CCCC[C@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccccc1 487362812 WYZUVUQJPVAUFK-SANMLTNESA-N 439.559 5.243 30 20 IKED C=CCn1c(SC[C@@H](OC(C)C)c2ccccc2)nnc1[C@@H]1COc2ccccc2O1 488302739 VPJRKUZSDBWNHF-FCHUYYIVSA-N 437.565 5.235 30 20 IKED CCN(C(=O)c1sc(-c2ccc(OCC(C)C)c(C#N)c2)nc1C)c1nc(C)cs1 489934524 ROHFUXBZNPUKCP-UHFFFAOYSA-N 440.594 5.457 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H](CN3CCCCCC3)C2)cc1 491648852 RTHCNFHKVZYANZ-NRFANRHFSA-N 432.568 5.470 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCn2c(cc3cc(Cl)ccc32)C1 494098576 OBLIDAJXWSGFPY-INIZCTEOSA-N 438.984 5.143 30 20 IKED CCN(C(=O)CCCOc1ccc(C#N)cc1OC)[C@H](c1ccc(C)cc1)c1cccnc1 496549968 ILROWUXTJQOCQT-HHHXNRCGSA-N 443.547 5.067 30 20 IKED CC(C)n1ncc2c(C(=O)N[C@@H](C#N)c3ccccc3Cl)cc(-c3ccccc3)nc21 499966954 DMWHNRBTFMKKJU-QFIPXVFZSA-N 429.911 5.327 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 500899187 VFDJGORKNLYYGZ-TZIWHRDSSA-N 436.474 5.215 30 20 IKED N#C[C@H](C(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1nc(-c2ccccc2)cs1 502749027 LQQNKYKWCBVJJK-QGZVFWFLSA-N 438.434 5.505 30 20 IKED N#Cc1cccc(COc2cccc(CN[C@@H]3CCCc4cn(C5CCCC5)nc43)c2)c1 505982722 SOIYYFMZSPDMLN-AREMUKBSSA-N 426.564 5.616 30 20 IKED C[C@@H](S[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NCC(F)(F)F 506232956 NBBHNQZWXLXXLO-HTQZYQBOSA-N 427.332 5.585 30 20 IKED N#C[C@H](NC(=O)c1occc1CSc1ccccc1)c1cccc(Br)c1 506525604 JKSMGUZEBKAGMY-SFHVURJKSA-N 427.323 5.329 30 20 IKED CCCOCc1ccccc1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 508249608 HFHKHNMQUZAQAJ-UHFFFAOYSA-N 445.519 5.607 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3nnn(-c4ccccc4Cl)c3C)n2)cc1 510590887 KLBSZCWTNMXKRX-MRXNPFEDSA-N 433.924 5.151 30 20 IKED O=C(CSc1ccc(C(F)(F)F)cn1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 512009744 UTMSPNPCBXNWKL-CYBMUJFWSA-N 426.357 5.142 30 20 IKED C=C(C)CN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)Cc1cnn(C(C)C)c1 512547073 IMAUDTLXWFXCEW-UHFFFAOYSA-N 429.779 5.441 30 20 IKED Cc1ccc(-c2[nH]nc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)c2C)o1 517009791 CSMKISILMUVOBX-UHFFFAOYSA-N 428.517 5.703 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2SC[C@@H](C)C#N)o1 518151683 VEOFHMXTCIYANC-KRWDZBQOSA-N 442.544 5.945 30 20 IKED N#Cc1ccc(SCC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCC3)cc1 518402193 JIMJCRPJZPCTKF-UHFFFAOYSA-N 447.610 6.116 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3cc(Cl)c4c(c3)OCCCO4)c2)c1 520954164 DARRTVHIQLWPQS-UHFFFAOYSA-N 434.923 5.242 30 20 IKED C=CCN(CCc1ccccc1)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 520963162 PCYIEPOMJSXHEN-UHFFFAOYSA-N 438.527 5.485 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)s2)cc1 521015230 SEWINWOFLUJMMJ-KRWDZBQOSA-N 432.332 5.429 30 20 IKED COc1cc2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)[nH]c2cc1OC 522815188 WCSHKFWLLJKQTK-UHFFFAOYSA-N 443.459 5.110 30 20 IKED C[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccc2c(c1)CCC(=O)N2 523944622 JKADVTLMWIRMJB-OAHLLOKOSA-N 445.906 5.380 30 20 IKED Cc1cc(OC(C)C)ccc1NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 527109441 JQNVVSTZHLIUEN-UHFFFAOYSA-N 429.476 5.023 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(-c4cc5ccccc5o4)cc3)CC2)o1 527222012 LRSCBBDGYLGMGM-UHFFFAOYSA-N 426.476 5.123 30 20 IKED C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 531648306 PLHYGBASCRJMIK-HSZRJFAPSA-N 439.437 5.538 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H](c2ccccc2Cl)OC[C@H]1C 533440561 DNHJJSJYJOCLRV-LZJOCLMNSA-N 444.000 5.135 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(N3CCCC3=O)ccc2Cl)cc1F 534814382 TVHOPRNYQAFIOS-UHFFFAOYSA-N 449.869 5.522 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C 537224461 LWSVQRBPQYZQKO-ZYFHCTRVSA-N 428.001 5.660 30 20 IKED Cc1ccc(NC(=O)C[C@H](C)NC2CCC(Oc3ccccc3C#N)CC2)c(Cl)c1 540180279 QSZWSKIZVCZCSE-KKXNLOMOSA-N 425.960 5.217 30 20 IKED C[C@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(-c2ccncc2)cc1 540440604 WVCLUAGXPHOMMW-KRWDZBQOSA-N 430.577 5.240 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)C2CC2)cc1 541419427 KCEMQRAOMRZNIC-UHFFFAOYSA-N 434.883 5.253 30 20 IKED CC(C)[C@@H](NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nc(C2CC2)no1 542035647 LYCKKBNMXSZDTK-OPAMFIHVSA-N 429.524 5.243 30 20 IKED CCOCCCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(C)(C#N)CC1 549786074 GGUQWRBZFHEDRR-HXUWFJFHSA-N 447.583 5.128 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1)c1ccccc1 550874981 NDCQTMRWFAYXSS-HTAPYJJXSA-N 433.577 5.119 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2nccc(C(F)F)n2)cc1Cl 554136228 WUDSEQFODWOABM-MRXNPFEDSA-N 427.842 5.045 30 20 IKED C[C@@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1nc(Cc2ccc(Cl)cc2)no1 563488251 MOBCBEUECJAURT-OAHLLOKOSA-N 431.883 5.546 30 20 IKED N#Cc1ccc(NCc2cccc(-c3nc(CC(F)(F)F)no3)c2)c(C(F)(F)F)c1 582035399 BUCRZPCAPGVKHZ-UHFFFAOYSA-N 426.320 5.344 30 20 IKED Cc1nc(CSc2ccc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)cc2)cs1 591589391 NXQZNENWJSIQTA-ZDUSSCGKSA-N 439.631 6.054 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)c1nc2cc(F)ccc2s1 592974726 YCULUPLOYYJLKV-ZDUSSCGKSA-N 441.285 5.078 30 20 IKED Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1NC(=O)c1ccco1 603764495 INKVJUBMLJWZOW-UHFFFAOYSA-N 438.443 5.152 30 20 IKED N#Cc1c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)sc2c1CCCCCC2 603996062 FHWFZXRXUIZHEQ-UHFFFAOYSA-N 438.553 5.042 30 20 IKED C=CCn1c(SCC(=O)NC[C@H](C)c2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 606240845 DOGNACJQKFSLHA-KRWDZBQOSA-N 441.000 5.105 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F 606762734 DHTCSQHOJAQZGF-LBPRGKRZSA-N 439.384 5.506 30 20 IKED Cc1cc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)n(-c2ccc(Cl)cc2)n1 609055939 YCZWJFRIBFAUCA-UHFFFAOYSA-N 432.867 5.130 30 20 IKED COCCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)[C@@H](C)c1ccccc1 609078157 DORNXLLEARCKMY-NRFANRHFSA-N 443.547 5.687 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccccc2C#N)c(OC)c1 609093084 PXKXLRDSLCPTAW-UHFFFAOYSA-N 425.488 5.295 30 20 IKED N#C[C@H](NC(=O)c1cc(Br)ccc1F)c1ccc(OCc2ccccc2)cc1 609171890 HXCWZVXSUPPKDZ-NRFANRHFSA-N 439.284 5.162 30 20 IKED CCC(CC)CN(CCC#N)C(=O)c1ccc(Oc2cccc(Br)c2)nc1 609189514 SINRVZNNLANFDF-UHFFFAOYSA-N 430.346 5.428 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1nc2ccccc2s1 609378447 MPQMHZNZJXUTQM-UHFFFAOYSA-N 435.496 5.892 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(OC)c1 609434303 RVACBGYZEJFINM-DEOSSOPVSA-N 443.503 5.737 30 20 IKED COc1ccc([C@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccc(C)cc2)cc1 609437031 LPRZUWDHTOVPCM-KBMIEXCESA-N 445.588 6.309 30 20 IKED CCOc1cc2c(cc1CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)O[C@@H](C)C2 609437215 WGYIYBJVQHSYGB-HOTGVXAUSA-N 425.554 5.125 30 20 IKED Cc1ccccc1[C@H](NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)C1CCC(C)CC1 609579288 MNHFADNJWCADOO-UYSSGXRJSA-N 445.611 5.097 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 610166177 CRIJMJMYDATVAJ-UHFFFAOYSA-N 427.430 5.207 30 20 IKED C[C@@H](NC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1)c1cccc(C#N)c1 610363289 FBWCBGFEYDYBNO-OAQYLSRUSA-N 440.543 5.063 30 20 IKED COc1ccc(-c2nc3c(s2)[C@H](NC(=O)N[C@H](C)c2cccc(C#N)c2)CCC3)cc1 610403124 YAHLHIWTZYUELK-QVKFZJNVSA-N 432.549 5.128 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2ccc(Cl)cc2C#N)cs1 610654575 BCNRNTNGRBJGEB-UHFFFAOYSA-N 427.982 6.262 30 20 IKED N#CCc1ccc(CN2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)cc1 612075456 RQULKROAVMKQRU-SANMLTNESA-N 430.596 5.441 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 615844254 PWZAPSFHSLIQAA-GOSISDBHSA-N 449.501 5.676 30 20 IKED CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 618846520 BTHKYJCIBFWWTP-DEOSSOPVSA-N 428.536 5.255 30 20 IKED C=CCOc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC 642282164 PUZJHYHNEOCWDP-CQSZACIVSA-N 432.423 5.379 30 20 IKED O=C(Nc1ccc(OC(F)(F)F)cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642393739 PXSBAWPCUOJWAD-IUCAKERBSA-N 438.290 5.616 30 20 IKED C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 670206698 CZIGQZXKXFRHBB-KBPBESRZSA-N 438.803 5.352 30 20 IKED FC(F)(F)c1nc(N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)ccc1Br 672227279 DYDYYHFSDMXWLK-PHDIDXHHSA-N 431.096 5.040 30 20 IKED Cc1c([C@H](C)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)nnn1-c1ccc(F)cc1 675737817 JPKCXDPZFUTJBS-MUYACECFSA-N 438.391 5.275 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1C(F)F 676144308 HHZNJHFTEXHMSN-UHFFFAOYSA-N 435.702 5.784 30 20 IKED C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 685695365 KULFNILIOBGSLS-QWRGUYRKSA-N 438.347 5.225 30 20 IKED COc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2cccc(OCCCC#N)c2)CC3)cc1 727780200 IZRUYQMCTVXFAP-XDJHFCHBSA-N 430.529 5.714 30 20 IKED C[C@H](OC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCC2 727926310 CMDURHYFFAGGAY-BPNCWPANSA-N 449.359 5.089 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)/C=C/c1ccc(Br)o1 727997191 UFYGVQLGDKFGNP-JXMROGBWSA-N 437.293 5.453 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 728766827 MOCDEVRVYJYSSQ-DEOSSOPVSA-N 437.499 5.437 30 20 IKED C#Cc1cccc(N(CC(=O)[C@H](C#N)c2nc3ccccc3s2)Cc2cccs2)c1 728926794 VDSZVVDHJIIVPU-FQEVSTJZSA-N 427.554 5.222 30 20 IKED N#CCOc1ccc(CNC(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)cc1 730218033 FQSNPVZOYUDQQZ-JOCHJYFZSA-N 441.314 5.332 30 20 IKED CC(C)Sc1ccccc1C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731059765 MFFBKDWEOWUKKL-MRXNPFEDSA-N 428.579 5.377 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CCc1ccc2ccccc2c1 731074196 KREICMAMNNJLGU-SFHVURJKSA-N 432.545 5.349 30 20 IKED COc1ccc(-c2nnc(SCc3ccc(OCC#N)cc3)n2C2CCCCC2)cc1 731156501 SSVGXEOOXPEDAX-UHFFFAOYSA-N 434.565 5.654 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccccc1COc1cccc(C=O)c1 731640071 FLPZSPBCLYZZQT-GOSISDBHSA-N 430.529 5.725 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NC[C@H](O)c2ccc3ccccc3c2)cc1 731828227 MFVYASDXWMNKLU-DEOSSOPVSA-N 426.447 5.106 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)c1 731963657 LTGONUDGSVMDNJ-UHFFFAOYSA-N 443.551 5.121 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(-c3csc(C)n3)cc2)ccc1OC 733618059 RYDJWNIKVZSLQX-IBGZPJMESA-N 436.537 5.130 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccnc3SC(F)(F)F)n2)cc1 733682576 NUOPSPGATXWXNL-AWEZNQCLSA-N 435.452 5.316 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Oc2cccc(NC(=O)c3cccs3)c2)o1 734116736 KRLVUVFIJBBNKP-UHFFFAOYSA-N 444.468 5.263 30 20 IKED C=CC[C@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccncc1 734457237 IMPOBJMBGFCMJF-DEOSSOPVSA-N 426.495 5.050 30 20 IKED C=CC[C@@H](NC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1)c1ccncc1 734458452 ZNAHVFZHQUWJQQ-HXUWFJFHSA-N 436.968 5.550 30 20 IKED CCCOc1c(Cl)cc(C=NOCc2nc(-c3cccc(C)c3)no2)cc1OCC 736296302 CFPQWPXVPCLFDB-UHFFFAOYSA-N 429.904 5.437 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)c1ccc(Br)s1 744027904 CKZCXWIFFFUCGF-SWLSCSKDSA-N 433.371 5.086 30 20 IKED COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)[C@H](C#N)c1nc2ccccc2o1 744041210 TXHCFXPHMHOZKH-ZDUSSCGKSA-N 441.871 5.327 30 20 IKED CCCCOc1ccc(C=NO[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1OC 744442630 DJYIIXOZOQSPOD-INIZCTEOSA-N 427.476 5.483 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=NNc1oc(CC(C)C)nc1C#N 745613666 YDKRUNCZOJDTMI-UHFFFAOYSA-N 431.327 5.051 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 747196162 HJCAHWGRHDFHPE-CQSZACIVSA-N 433.364 5.617 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1csc(-c2ccc(C(C)C)cc2)n1 749361381 ZDPMBKFZGRPGSD-UHFFFAOYSA-N 426.545 5.683 30 20 IKED Cc1ccnc2[nH]c([C@H](C#N)C(=O)CCc3c(-c4ccccc4)[nH]c4ccc(F)cc34)nc12 750723528 JGOKBCYINOLUFH-HXUWFJFHSA-N 437.478 5.363 30 20 IKED COc1ccc(Nc2nn(CN3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c(=S)s2)cc1 751935803 XFDWNMMXNMIINP-VQTJNVASSA-N 437.594 5.156 30 20 IKED COc1cccc(Cc2cnc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)s2)c1 751995007 MBVXWMFWKPPEEE-YADHBBJMSA-N 432.549 5.046 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(Sc3ncccn3)cc2C)cc1C#N 752222834 SAIJANOCSGAICI-UHFFFAOYSA-N 448.508 5.020 30 20 IKED CC(C)(C)OC1CC(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1 753920787 LCBAPTLOWGRKFW-PXCJXSSVSA-N 437.392 6.277 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 756515495 CBAMZOSQOHFBQZ-OAHLLOKOSA-N 441.940 5.716 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Br)cc2C(C)C)c1 760805412 COIFNTDUGRGXHH-QGZVFWFLSA-N 430.346 5.575 30 20 IKED CCC(CC)c1cc[n+](/C(C(=S)N[C@H]2C[C@H]3CC[C@H]2C3)=C(/O)c2ccc(C#N)cc2)cc1 762439240 FFDSGCDTMUSEJD-IGKWTDBASA-O 446.640 5.739 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(CCCF)C2=O)c1 767735086 JGPZCWQXWUABPH-HXUWFJFHSA-N 445.535 5.071 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCc1cccc(SC(=O)N(C)C)c1 768406092 BRJMQGWGKCVMJM-UHFFFAOYSA-N 440.594 5.109 30 20 IKED N#C[C@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)c1nc(-c2ccccc2)cs1 769943754 ADOBMFJDYSNBMG-FCNRDGCESA-N 432.854 6.286 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 777296787 MZWDUHKDJLONFS-SJORKVTESA-N 445.972 5.429 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 780672292 ATDQHPCLJVYXQR-CWTRNNRKSA-N 438.286 5.029 30 20 IKED C=CCc1ccc(OC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)c(OC)c1 786930026 PVKLPJJVMSILAQ-UHFFFAOYSA-N 447.318 5.709 30 20 IKED CC[C@H](C)Oc1ccccc1/C=C\C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 787353038 OAXNMRYMJPPPGD-CPPNXCSESA-N 431.536 5.099 30 20 IKED CCNC(=O)N(C)c1cccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1 794110680 GONFZEPBYPSQHI-UHFFFAOYSA-N 448.910 5.422 30 20 IKED N#Cc1cccc(-c2nnc(CN[C@H](c3c[nH]c4ccccc34)C(Cl)(Cl)Cl)o2)c1 796468414 CUHQMACEXJFSGT-GOSISDBHSA-N 446.725 5.291 30 20 IKED CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 799911253 YANXLSODPFOCDU-UHFFFAOYSA-N 430.460 5.119 30 20 IKED N#Cc1sc(Sc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)nc1Cl 804338072 IEKSXTLLWAHFPU-UHFFFAOYSA-N 434.333 5.373 30 20 IKED CC(C)C(=O)Nc1cccc(OC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1 804376570 KLPNZFGHKCLRCT-UHFFFAOYSA-N 439.943 5.018 30 20 IKED CN(CCC#N)c1ccc(CN[C@H]2CCCc3c2[nH]c2ccc(Br)cc32)cc1 808446514 KREQZCSHEGVVCA-QFIPXVFZSA-N 437.385 5.447 30 20 IKED N#Cc1cc(Oc2ccc(NCC(=O)Nc3ccccc3SC(F)F)cc2)ccn1 811777787 HINPGFHUULHRIH-UHFFFAOYSA-N 426.448 5.111 30 20 IKED CN(CCC#N)c1ccc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)cc1 814286975 ACVHOIYNIMNPQQ-JWGURIENSA-N 429.570 5.595 30 20 IKED N#CC1(CC(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(OCc3ccccc3)c2)CC1 815873123 XEFCEMOYJRBUPT-SANMLTNESA-N 440.543 5.022 30 20 IKED N#CCCn1cc(C(=O)COC(=O)CCc2ccc(-c3ccccc3)o2)c2ccccc21 844258159 RGDDFVJJDCOMEE-UHFFFAOYSA-N 426.472 5.174 30 20 IKED CC(C)c1ccc(-c2nc(C(=O)OCC(=O)Nc3cc(Cl)ccc3C#N)cs2)cc1 900222316 HEMMAGVHYGQXHK-UHFFFAOYSA-N 439.924 5.254 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)cc1 915085472 MMNICQZZIDOVNT-JUNRWVGFSA-N 449.554 5.233 30 20 IKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1nc(-c2ccccc2)cs1 915102063 NESRCCVFQLLGTG-QGZVFWFLSA-N 435.455 5.552 30 20 IKED COCCOc1ccc(C(C)=NNc2ncnc3sc(-c4ccccc4)cc23)cc1OC 915941812 CBPJGLMVWZBHOF-UHFFFAOYSA-N 448.548 5.228 30 20 IKED Cn1ncc2c1CC/C(=C/c1cccc(NC(=O)c3ccc(Cl)cc3Cl)c1)C2=O 915988773 GXNBQVPYJDKGGT-ZROIWOOFSA-N 426.303 5.192 30 20 IKED COc1ccc(OC2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)cc1 916679633 VPCOUGBSEDBDQE-AREMUKBSSA-N 441.531 5.426 30 20 IKED N#C[C@@H](C(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)Nc1cccc2ccccc12 916916595 XGSUJUYXBSBEGF-NRFANRHFSA-N 426.447 5.519 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)Nc1cccc2ccccc12 916916644 YSVUGHXWHJQBCI-HXUWFJFHSA-N 445.931 5.507 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3c(C)nn(-c4ccccc4)c3Cl)n2)cc1 916973429 XHTCIENCZOYGDD-GOSISDBHSA-N 432.936 5.756 30 20 IKED CC(=O)N[C@H](CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccc(Cl)cc1 917045810 ADACFYYZRLPLQC-JKSUJKDBSA-N 432.332 5.047 30 20 IKED CCCn1c(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)nc2ccccc21 917538137 YOPSPRQZIXJXRJ-UHFFFAOYSA-N 431.352 5.183 30 20 IKED Sc1nnc(-c2ccccc2Br)n1N=Cc1cccc(OC2CCCC2)c1 917539659 AFOYRBJRNVKHLB-UHFFFAOYSA-N 443.370 5.200 30 20 IKED N#CCOc1cccc(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)c1 917619861 NUBCCYMPVAFNGR-HYARGMPZSA-N 448.400 5.335 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)cc1 920027137 YVDMTHJBFZDTMU-IBGZPJMESA-N 449.988 6.362 30 20 IKED COc1ccc(OCc2nc(/C=C/C(=O)c3cnn(-c4ccccc4)c3C)cs2)cc1 920066301 WUCNEZSRJMFPOR-MDWZMJQESA-N 431.517 5.121 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(Cl)s2)n1 920109917 WJMKTCBEVYMIJP-CQSZACIVSA-N 443.981 5.611 30 20 IKED CCCc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 920140924 KSXYSYKANLVWAQ-NRFANRHFSA-N 427.529 5.474 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4cccc(F)c4)n3)n2)cc1 920142765 SCCSNXSDCHWLEQ-IBGZPJMESA-N 444.516 5.363 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@@H]4c4ccc(Cl)cc4)CCC3)cc2)C1 1785807891 UBCXHRYYALRLLG-DHIUTWEWSA-N 434.967 5.544 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3Cl)cc2)CCC1 1790667612 JQRWJBPGSMOLNG-OAHLLOKOSA-N 445.922 5.028 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(F)ccc3s2)n[nH]1 1819078916 QELQOWJXPSIAJF-KBXCAEBGSA-N 440.544 5.282 30 20 IKED CC(C)[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)CC1 1820486081 AWYHEVPJYOKXGA-JTAQYXEDSA-N 447.583 5.050 30 20 IKED CC(C)c1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(CO)c2)cc1 11264535 ROKOOGPJPQHPPB-UHFFFAOYSA-O 447.624 5.764 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2)c2ccccc2)nc2ccccc2c1=O 12721617 KYASCAZBIGEPJS-JOCHJYFZSA-N 427.529 5.055 30 20 IKED C=CCSc1ccccc1NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 20048149 GOGDRKNPWCKADG-UHFFFAOYSA-N 433.558 5.042 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)NCc2ccccc2)cc1 22730725 HCVDOGFAQVIKEI-UHFFFAOYSA-O 448.656 5.562 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1 60477124 JHIHGUIQEKDXQK-SFHVURJKSA-N 431.879 5.294 30 20 IKED Cc1ccc(C#N)cc1NC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 63962273 FPSQSQIRSTTYRU-UHFFFAOYSA-N 434.293 5.134 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cnc(-c3ccccc3Cl)s2)cc1 64917504 SUODUXHTFDLNFT-UHFFFAOYSA-N 435.858 5.540 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)cc1OC 108378040 OKJBUDAZWJWGHG-JQIJEIRASA-N 442.515 5.473 30 20 IKED C[C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(C(F)(F)F)cc1 409966958 NIKAVAPYPLSCTJ-OAHLLOKOSA-N 429.442 5.031 30 20 IKED CC(C)CCN1Cc2cccc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)c2C1 428708038 HIFCSXZGPKXIRI-UHFFFAOYSA-N 427.552 5.078 30 20 IKED N#Cc1ccc(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)c(Cl)c1 430351962 KDOIRLYHFINPFV-OFVILXPXSA-N 443.934 5.330 30 20 IKED CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(C#N)cc1Cl 430833838 UEDDQNMZNPPJEL-UHFFFAOYSA-N 434.710 6.378 30 20 IKED N#CC(CCSc1nnc(-c2cccnc2)n1C1CC1)(c1ccccc1)c1ccccc1 434644390 VGLQXIYDVNFGKV-UHFFFAOYSA-N 437.572 5.667 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NC3CCC(Oc4ncccc4C#N)CC3)s2)cc1 437104987 HLEKICNDKSCSOB-LYGRKUJNSA-N 448.592 5.435 30 20 IKED COc1ccc(C[C@H]2CCCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)C2)cc1 437531605 APGHVSONUMUPFV-OAQYLSRUSA-N 446.576 5.101 30 20 IKED C=CCN(CCC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1ccc(Cl)s1 438783871 HLCKFRHPHPCHEP-UHFFFAOYSA-N 429.369 5.089 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cccc(NC(=O)[C@@H](C)OC)c1)c1ccc(C(F)(F)F)cc1 442204335 BFTVVKZHFGWJEB-FOIQADDNSA-N 449.473 5.508 30 20 IKED CC[C@H](N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C)c1ccc(C#N)cc1 447584931 HQMGVDUWHOSZPA-UIOOFZCWSA-N 432.589 5.409 30 20 IKED C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 460955996 ZTNBBYIDAMYHSH-VGSWGCGISA-N 441.501 5.446 30 20 IKED COc1cc(C(=O)N(C)c2ccc(C#N)cc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 461525173 QAOYDXPXMHQDKY-UHFFFAOYSA-N 437.839 5.197 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)c1ccc(Br)s1 463102295 CSCOQKKMGVJVEO-ZDUSSCGKSA-N 442.338 5.620 30 20 IKED N#CCCCOc1cccc(NC(=O)CCc2nc3cc(Br)ccc3s2)c1 463292979 BKNIEVYXLCVNRG-UHFFFAOYSA-N 444.354 5.313 30 20 IKED C=CCN(C(=O)c1nc(C)c(C)nc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 463639239 AYPYCNMHKWYPMQ-UHFFFAOYSA-N 433.364 5.665 30 20 IKED Cc1c(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cnn1-c1cccc(C(F)(F)F)c1 464937948 LGYHYZARWJATKW-IRLDBZIGSA-N 438.453 5.112 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 465807972 IDUBGLATWPURPW-AHWVRZQESA-N 449.558 5.066 30 20 IKED Cc1ccc([C@@H](NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c2ccccn2)cc1 471176648 LTHDXWHWFIZCED-OAQYLSRUSA-N 440.425 5.114 30 20 IKED COCCCC[C@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccccc1 471865107 WMFXMWCCMHCPRS-VHYCJAOWSA-N 435.568 5.105 30 20 IKED Cc1ccc(-c2noc([C@H](C)NC(=O)c3ccccc3-c3ccccc3C#N)n2)cc1F 472512663 BZHBUTRHBKWRKN-INIZCTEOSA-N 426.451 5.214 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@]1(CO)Cc1ccccc1 474500626 NCMMPAAVJOTAHF-MHZLTWQESA-N 441.531 5.261 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)Cc1cc2c(cc1Br)OCCO2 476123906 WYPKEDKKVUSKCE-UHFFFAOYSA-N 430.342 5.253 30 20 IKED C=C(CNC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)c1ccccc1 477096638 TYJGZCQTOOVWSK-UHFFFAOYSA-N 425.941 5.166 30 20 IKED Cc1nc(CSc2ccc(C(=O)NCC#Cc3ccc(C(F)(F)F)cc3)cc2)cs1 477277782 GBTUAEWTBUXUJE-UHFFFAOYSA-N 446.519 5.544 30 20 IKED CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)C1(c2cccc(C#N)c2)CC1 479560793 ZPLASNQHHFEYCC-UHFFFAOYSA-N 438.556 5.163 30 20 IKED Cc1cc(Cl)c2ccccc2c1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 480121554 IIOGPGDSLHEPIQ-UHFFFAOYSA-N 437.902 5.888 30 20 IKED C=C(C)Cn1c(SCC(=O)N2CCCCC[C@@H]2c2ccccc2)nnc1-c1ccco1 480474817 FBUBNDRGTKQHHZ-HXUWFJFHSA-N 436.581 5.350 30 20 IKED C=C(C)[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc(F)c(F)c1 480669479 XLTDRZVATVOHQX-QMHKHESXSA-N 446.519 5.004 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2nc(-c3cccs3)cs2)nnc1-c1ccco1 481764942 ZSJVJDLCQOSDQI-UHFFFAOYSA-N 443.579 5.030 30 20 IKED O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1cc(C(F)(F)F)ccc1F 484869710 ZRONTLQGSAHUGF-UHFFFAOYSA-N 435.274 5.440 30 20 IKED CCN(C[C@H](C)C#N)C(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1 485147856 IDXGWFVKFJJNMU-GFCCVEGCSA-N 435.380 5.383 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(-c2ccc(OC)nc2)ccc1C 485543607 LWICHRUBYVTRLY-UHFFFAOYSA-N 433.556 5.453 30 20 IKED N#CCCN(C(=O)c1cc(OC(F)F)cc(OC(F)F)c1)C12CC3CC(CC(C3)C1)C2 486547287 HIJBJXFUOPDKHC-UHFFFAOYSA-N 440.437 5.214 30 20 IKED C=CCn1c(S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)nnc1-c1cccc(Cl)c1 489618290 DOCDSIMYIYVOQW-IBGZPJMESA-N 442.947 5.036 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3noc(-c4ccc(Cl)cc4)n3)o2)cc1 489787375 FDEOUWQYVZAWTI-UHFFFAOYSA-N 426.885 5.297 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2ccc(CC#N)cc2)c2ccc(C(F)(F)F)cc2)cc1 490770346 OGJJYDWLSVUVLJ-QFIPXVFZSA-N 439.437 5.691 30 20 IKED CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1 498283303 ZOXJWYUBJDJGPY-UHFFFAOYSA-N 449.942 5.335 30 20 IKED C[C@@H](Oc1ccc(F)cc1Br)C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 499807308 BQQDRYOBKWWEMI-YMTOWFKASA-N 446.103 5.043 30 20 IKED Cc1nc(COc2cccc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)c2)cs1 505331398 PUGWDUVFIGJRLB-GOSISDBHSA-N 432.332 5.332 30 20 IKED CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1 505346504 WUPJXNBTYORJGJ-GOSISDBHSA-N 432.351 5.106 30 20 IKED N#C[C@@H](C(=O)Nc1cccc(Br)c1)c1nc(-c2ccc(Cl)cc2)cs1 505751098 PAGJHDZIAIAQMO-HNNXBMFYSA-N 432.730 5.472 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)Cc3ccc(Br)s3)c2)c1 510056756 RXEMLGFOGSVGAY-UHFFFAOYSA-N 427.323 5.142 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 510873772 VSWBHCVNQKOWKJ-UHFFFAOYSA-N 448.526 6.462 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N[C@H](c2ccc(F)cc2)c2ccccc2Cl)cc1 511339046 UUTHNMYCBBYAJS-JOCHJYFZSA-N 437.902 5.306 30 20 IKED N#C[C@@H](C(=O)c1oc2ccccc2c1COc1ccccc1)c1ccc(C(F)(F)F)cn1 513171451 QGMKFQYQKFNDMY-GOSISDBHSA-N 436.389 5.916 30 20 IKED Cc1ccc2nc(COc3ccc(C(=O)Nc4cccc(OCCCC#N)c4)cc3)cn2c1 517105503 WBZIAHMGPMEKJS-UHFFFAOYSA-N 440.503 5.157 30 20 IKED CO[C@@](C)(C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1ccccc1 518536263 MDHNBEPUGCCICK-OAQYLSRUSA-N 445.466 5.125 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)NCc2ccc(COc3ccccc3)cc2)c1 522531276 FGRRSPHXCQIJKC-UHFFFAOYSA-N 438.483 5.239 30 20 IKED O=C(N[C@H](Cc1ccccc1)c1ccccc1F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 525443588 BBRAUENWBLYFHF-QGZVFWFLSA-N 448.382 5.636 30 20 IKED N#Cc1cccc(-c2nnc(CSc3nc4ccccc4n3-c3ccc(F)cc3)o2)c1 525630011 VKZVUCCTGOGYSL-UHFFFAOYSA-N 427.464 5.379 30 20 IKED O=C1CCCN1C[C@@H](NCc1cc(F)cc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 532587742 ZZAXLPGMWSJVGU-GOSISDBHSA-N 448.382 5.317 30 20 IKED C=CCCOCCNC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 536057272 IZQFOIITFPBYQG-UHFFFAOYSA-N 436.434 5.064 30 20 IKED N#CCCn1cc(CN2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c(-c2ccccc2)n1 538796029 JZRBYXRJILJXPS-IBGZPJMESA-N 429.499 5.124 30 20 IKED Cc1c(C#N)c(NC(=O)CCN[C@@H](C)c2ccccc2OC(C)C)n(Cc2ccco2)c1C 539225067 KDNWURNHJISHFJ-IBGZPJMESA-N 448.567 5.085 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H](C)C[C@H]1c1cccnc1 542674894 WEGXVPAYBAQXSM-CJAUYULYSA-N 426.520 5.456 30 20 IKED Cc1c(NC(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)cnn1C 547532587 QBIJKIAVVAQUIL-LBPRGKRZSA-N 448.289 5.191 30 20 IKED CCCOc1ccc(NC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1OCCC 550666752 MBBFWMWHRCWXGS-UHFFFAOYSA-N 443.569 5.072 30 20 IKED CCOc1ccc(OCc2ccc(-c3nnc(N4CCC(C)(C#N)CC4)n3CC)cc2)cc1 555064806 URHMMDZDDXXMCH-UHFFFAOYSA-N 445.567 5.073 30 20 IKED C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@H](CCCC#N)c1ccccc1 571229277 AJQQPSQTBQCPEL-DNVCBOLYSA-N 437.893 6.101 30 20 IKED COc1ccc(CN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C(C)(C)C)cc1 574117758 UDSNISOQNORHJS-GOSISDBHSA-N 425.598 5.329 30 20 IKED Fc1ccc(CNCc2cccc(-c3nc(CC(F)(F)F)no3)c2)cc1C(F)(F)F 581398915 MDLHWZQGLNFEPK-UHFFFAOYSA-N 433.327 5.289 30 20 IKED Cc1cc(C(=O)NC2(C#N)CCN(C)CC2)ccc1N[C@@H](C)c1cc(Cl)ccc1Cl 583724577 SJCOFCZWYSILEX-INIZCTEOSA-N 445.394 5.193 30 20 IKED N#Cc1ccc(CNc2ccc(NC(=O)CN3CCCCCC3)cc2)c(C(F)(F)F)c1 589310715 NTUCEMXHBFYYFH-UHFFFAOYSA-N 430.474 5.004 30 20 IKED Cc1cc(-c2cc(C(=O)N[C@H](C#N)c3ccc(F)cc3)c3cnn(C(C)C)c3n2)c(C)s1 590766381 OBWJEYSVJPYOFN-JOCHJYFZSA-N 447.539 5.491 30 20 IKED Cc1ccc2c(Cl)c(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)sc2c1 591020078 NEYHPJFLGRVFPB-MRXNPFEDSA-N 433.945 6.348 30 20 IKED CC(C)COc1cn(-c2ccccc2)nc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 594362933 KDCGYCFZAZNNIW-KRWDZBQOSA-N 434.496 5.146 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1coc(-c2ccccc2)n1 603532676 KDMHNRZKDYCCDR-UHFFFAOYSA-N 425.463 5.437 30 20 IKED CC(C)OCc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)oc2ccccc12 603621896 BOFTVADYIZARDJ-UHFFFAOYSA-N 427.460 5.669 30 20 IKED Cc1cccc(Oc2ccccc2NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 603649374 BPPGRFQIOGUXBU-UHFFFAOYSA-N 440.547 5.399 30 20 IKED Cc1ccc(CN(Cc2ccco2)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)s1 604459729 IMAYRBWXGPHZHX-UHFFFAOYSA-N 448.573 5.803 30 20 IKED N#CCCCOc1cccc(NC(=O)C(=O)N[C@H](CC2CCCCC2)c2ccccc2)c1 608799173 LIGPFRYJXOSCJW-XMMPIXPASA-N 433.552 5.136 30 20 IKED CC[C@H](c1ccccc1)c1nnc(SCC(=O)N(CCC#N)c2cc(C)cc(C)c2)o1 609019048 WGQPNGICBQRBAW-OAQYLSRUSA-N 434.565 5.267 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609063317 YUVGYQXGXAACET-INIZCTEOSA-N 431.879 5.068 30 20 IKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 609129209 SLRLBANAGFOGCX-OZXSUGGESA-N 426.516 5.590 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)c1cncc(Br)c1 609151763 GEIXBUGWWYXXHV-UHFFFAOYSA-N 426.701 5.216 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)CCCCCC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 609228274 MMLSVCDNHHEBET-UHFFFAOYSA-N 444.579 5.817 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2nc3ccccc3s2)s1 609377916 RRVNOENCHYEBKF-CQSZACIVSA-N 435.599 6.529 30 20 IKED CCn1c([C@@H]2CCCN2C(=O)Nc2ccccc2SC[C@H](C)C#N)nc2ccccc21 609398396 YDPADCUBDFQJQV-UTKZUKDTSA-N 433.581 5.677 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)NC[C@@H]3CCCO[C@H]3c3ccccc3)c2)cc1 609643338 XJKQCISESUXIOQ-AHWVRZQESA-N 426.516 5.035 30 20 IKED CC[C@@H](C(=O)OC)N(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccccc1 609788368 VRYXFMSJYKBGFE-DEOSSOPVSA-N 428.488 5.143 30 20 IKED Cc1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)ccc1OC1CCOCC1 609980605 SJLWCHGKCABVKT-UHFFFAOYSA-N 442.515 5.664 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC(c3cccs3)c3cccs3)cn2)cc1 610015924 VXDGAWIQBNEOHT-UHFFFAOYSA-N 432.530 5.780 30 20 IKED CCN(CC)[C@@H](CNC(=O)N[C@H](C)c1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 610401234 MCTLBWVEZZTZDS-IERDGZPVSA-N 432.490 5.020 30 20 IKED N#C[C@@H](C(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1nc(-c2ccccc2)cs1 613392514 XGAJFZGPBSLZRI-NRFANRHFSA-N 429.545 5.819 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 616140707 NSVGUMZDAIYGMK-KRWDZBQOSA-N 441.984 5.834 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 618730992 KAGGJZITRDVRAQ-LJQANCHMSA-N 427.451 5.047 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Oc2ccc(NC(=O)c3ccccc3)cc2)c1 726497260 KOTDVHMOGGUGBC-UHFFFAOYSA-N 438.439 5.202 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)cc1 728116674 ONZJMDJYUQJEIR-UPVQGACJSA-N 449.476 6.730 30 20 IKED N#Cc1ccccc1NC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12 728159197 SCDPPXPNEJHVDM-UHFFFAOYSA-N 429.277 5.183 30 20 IKED Cc1nc(-c2ccccc2F)sc1C(=O)/C=C/c1ccc(N2CCOCC2)c(F)c1 728442055 UXJODYJMWKHECL-VQHVLOKHSA-N 426.488 5.129 30 20 IKED Cc1csc([C@@H](C#N)C(=O)COC(=O)[C@H](Oc2cccc(C(C)C)c2)c2ccccc2)n1 730642619 BQDDHFOBQUCHKJ-JTHBVZDNSA-N 448.544 5.115 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)C(C)(C)c1ccc(Cl)cc1 731074532 OWXARKHIQSZWCM-OAHLLOKOSA-N 430.957 5.051 30 20 IKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cnn1-c1ccccc1Cl 732632903 AKHQFGVLVYOWBH-OAQYLSRUSA-N 426.907 5.742 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NNc1ccc(Br)nc1 732713254 USQHWZFVADUNTA-UHFFFAOYSA-N 425.117 5.091 30 20 IKED C[C@H](Oc1ccc(F)cc1Cl)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 733679662 LBQCLYWOPKFQTA-XHDPSFHLSA-N 435.307 5.900 30 20 IKED COc1ccc(-c2csc3ncnc(NN=C4CCC(O)(C(F)(F)F)CC4)c23)cc1 734745024 GNCDWLMDENVIKB-UHFFFAOYSA-N 436.459 5.002 30 20 IKED COC(=O)C[C@H]1CN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c2ccccc21 741585631 HKMGVTCYZNMMLY-SFHVURJKSA-N 446.890 5.311 30 20 IKED CC(=O)N(c1nc(/C=C2\CCc3c(O)cccc3C2=O)cs1)c1ccc(F)cc1F 742434723 LXMIWKYIRPMWCB-UKTHLTGXSA-N 426.444 5.024 30 20 IKED C=CCn1c(-c2cccc(C)c2)nn(CN2CCC(OCCc3ccccc3)CC2)c1=S 742555962 AGXRHKKAERWZFN-UHFFFAOYSA-N 448.636 5.257 30 20 IKED C/C(=C\C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1C(F)(F)F 744063105 XOISSNUKMJOANQ-PMXLPMHFSA-N 437.446 5.980 30 20 IKED Cc1nc(C2CCCC2)sc1C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 745610186 STTPWWYMSPMLLD-AWEZNQCLSA-N 443.594 5.156 30 20 IKED O=C(Nc1cccnc1)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)c1ccccc1 747127734 ISZUTZBRSZREFY-PXLXIMEGSA-N 439.427 5.155 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@H](c2ccccc2)c2ccccc2OC)cc1C#N 752305859 RDZPPDDSDQJJED-HSZRJFAPSA-N 444.491 5.046 30 20 IKED COc1cccc([C@@H]2C[C@H](C)CN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 752485943 UOAVOONQTSDAKA-YZYNAAERSA-N 425.532 5.966 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\COc3c(C(C)C)ccc(C)c3C2=O)cs1 753901205 YTUCJXDFBNNVPO-XDHOZWIPSA-N 446.572 6.227 30 20 IKED CCN(CC)[C@@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1 755639463 IWRDQTNVPVNZDJ-IIBYNOLFSA-N 425.504 5.348 30 20 IKED COc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3ccc(F)c(C#N)c3Cl)s2)cc1 761475376 FDMWITWSFOPFEC-ZSOIEALJSA-N 449.294 5.200 30 20 IKED CCCc1cc[n+](/C(C(=S)Nc2cccc(Cl)c2C)=C(/O)c2ccc(C#N)cc2)cc1 762437370 IMRZSZYXZRCXOM-UHFFFAOYSA-O 448.999 6.083 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=S)Nc2ccc(C#N)c(Cl)c2)cc1 763125205 IXWMRCODOSYIQW-AWEZNQCLSA-N 444.988 5.284 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C\c3cnc(C4CCCC4)s3)SC2=S)cc1Cl 767677966 HQHKHYSWIJHMTE-LZYBPNLTSA-N 431.995 5.732 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCc1cc(=O)oc2cc(CC)ccc12 768407557 RSXUYDUOKXMWBU-UHFFFAOYSA-N 433.533 5.004 30 20 IKED CC(C)N(C[C@H](O)COc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 770177952 IYOJMISQMIYGFK-AHWVRZQESA-N 443.547 5.024 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H]2CCCOc3c(Br)cccc32)ccc1OC 772980783 SZJRYNYVQXHQBH-VQIMIIECSA-N 445.357 5.142 30 20 IKED CCCC[C@H](ON=C(C)C)C(=O)N1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 773671437 XHJUMQWNJHLYCV-AVRDEDQJSA-N 443.613 5.496 30 20 IKED CN(C(=O)Nc1ccc(F)cc1OCC#N)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 776476198 KPJDRDXGSJYCOM-MJGOQNOKSA-N 435.421 5.547 30 20 IKED CC[C@@H](C#N)Oc1cccc(CN[C@H](c2ccc(Br)cc2)c2ccco2)c1 779412314 LZONCSLKMWUXSE-SIKLNZKXSA-N 425.326 5.602 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)C1(c2cccc(Br)c2)CCCCC1 780158218 LIBWNUBIMBSGNC-INIZCTEOSA-N 427.342 5.581 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc([C@@H]2CCCOC2)cc1 780306683 XWTJIAIRNRPJDS-FYYLOGMGSA-N 440.499 5.334 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 780352996 AAMFFJVFHTUSHB-XMMPIXPASA-N 429.479 5.589 30 20 IKED Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 782580853 IAQKUXSIXPFOLH-CQSZACIVSA-N 440.550 5.412 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cc(Br)cnc1Cl 787951514 GXHSJYNUKBCWPW-UHFFFAOYSA-N 428.673 5.414 30 20 IKED COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2S[C@@H]2CC[C@@H](C#N)C2)cc1Cl 788097220 IAHDGPOJAABFIN-SIUHFWHKSA-N 443.981 5.579 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)[C@@H]1OCCc2sccc21 796756739 OFOMQDXRQZVOLD-ZEWFUEFWSA-N 436.480 5.503 30 20 IKED C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797567922 CPLANZBQUSJXNE-DOMZBBRYSA-N 429.998 5.999 30 20 IKED Cc1ccc(C(=O)Oc2ccc(NC(=O)c3ccccc3Br)cc2)cc1C#N 799295531 PNUOLZSINKKBIO-UHFFFAOYSA-N 435.277 5.101 30 20 IKED CC(C)(CC(=O)c1ccccc1)CC(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 799599919 IPPWONIIOKCZAS-KRWDZBQOSA-N 447.560 5.141 30 20 IKED N#CCCCn1cc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)c2ccccc21 804414019 ZLNIRYCTGLSNCP-HHHXNRCGSA-N 437.543 5.321 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 815906598 DVOCFBADPFLSIM-MRXNPFEDSA-N 432.785 5.580 30 20 IKED CCCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1cccc(C)c1 855186422 UQLVJFOGRITWNV-FQEVSTJZSA-N 447.608 5.399 30 20 IKED C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2cccc(CN3CCCCC3)c2)no1 904441079 ZGYPVGDMEVLPCR-LJQANCHMSA-N 446.979 5.431 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(Cc4ccccc4)n3)n2)cc1 915100801 ZSTLZCXNASIMEP-HXUWFJFHSA-N 429.570 5.585 30 20 IKED Fc1nc(F)c(F)c(NN=Cc2cn(Cc3ccccc3)nc2-c2cccs2)c1F 916325203 BFJVKKXJPJHCDQ-UHFFFAOYSA-N 431.418 5.057 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CSc1cccc(C(F)(F)F)c1 916902619 GMWFKRJRXAYHGV-SFHVURJKSA-N 434.483 5.270 30 20 IKED N#C[C@@H](C(=O)CSc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1Cl 916928518 NAJCRTQBCDDEMS-KRWDZBQOSA-N 429.328 5.586 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cccc(C)c3c2Cl)cc1Cl 916941433 VGINKGXFRWVSFJ-LBPRGKRZSA-N 433.316 5.486 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nc4ccccc4s3)o2)cc1 916948531 WJUYYONFZGLBDE-QAPCUYQASA-N 443.528 6.031 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4cccc(C)c4)n3)n2)cc1 916974361 IZEFRLNSDWPQNR-HXUWFJFHSA-N 429.570 5.969 30 20 IKED N#Cc1cccc(COC(=O)c2cccnc2Oc2ccc(F)cc2Br)c1 917302462 XXRTXMXYHGOTOJ-UHFFFAOYSA-N 427.229 5.004 30 20 IKED O=C(c1ccc(SC(F)(F)F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918669370 CUAVYSATPURXMI-NXEZZACHSA-N 425.316 5.501 30 20 IKED CC(C)c1sc(NC(=O)CN(Cc2ccc(C#N)cc2)C2CC2)nc1-c1ccccc1 1657912619 PCJSXHUMAZEWKH-UHFFFAOYSA-N 430.577 5.408 30 20 IKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4ccc(F)c(F)c4)cc3)CCC2)c1 1790335765 HMPQXMCDUYYWGY-UHFFFAOYSA-N 449.432 5.037 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(CO)c(F)c3)cc2)CCC1 1792188705 VJZFNPMFBFKJKQ-UHFFFAOYSA-N 438.543 5.058 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc3c1OC(C)(C)CC3)C2 1798593170 YNFWDKOIRGONTQ-WKCHPHFGSA-N 438.612 5.034 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(C)ccc3[nH]2)n[nH]1 1818564122 CSHRPLSAPKMPBV-AUSIDOKSSA-N 445.567 5.274 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(C)ccc3[nH]2)n[nH]1 1818564125 CSHRPLSAPKMPBV-XXBNENTESA-N 445.567 5.274 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sccc2OCC)[nH]n1 1819552287 IUDSYPCRGAPQDD-QGZVFWFLSA-N 444.601 5.168 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](CCC)n2cccc2)CC1 1824141668 ZITGGMOVOYGYKS-LOSJGSFVSA-N 439.644 5.217 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](CCC)n2cccc2)CC1 1828825094 QKKPUAVEVQABTO-SDHSZQHLSA-N 439.644 5.217 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1 1829069942 CLVGRYUKRSTRGT-ONTLXTELSA-N 428.661 5.425 30 20 IKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 1831306913 MQTWBEROJBMDBZ-ISKFKSNPSA-N 431.020 5.275 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-c4ccccc4)cc3)C2)c1 1846875269 BZBIDYOEIKUEFL-NRFANRHFSA-N 449.554 5.111 30 20 IKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(Nc3cccc(F)c3)s2)cc1C 11016567 LJORKUMSXXULTG-UHFFFAOYSA-N 441.557 5.077 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2ccccc2)c1 14871989 ITBALFXWURMKMB-UHFFFAOYSA-O 430.380 5.894 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2cc(C)ccc2C)cc1 23603742 UMRLJEYEKQPXQN-UHFFFAOYSA-O 448.656 6.490 30 20 IKED C=CCOc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(C)cc3)s2)cc1OC 26228670 RHQQBOHVNDLJGF-ATVHPVEESA-N 441.940 5.409 30 20 IKED C=CCN(C(=O)CCc1ncc(-c2ccccc2Cl)o1)c1nc2c(s1)CCCC2 29063392 ZEXAQINFKSZUEB-UHFFFAOYSA-N 427.957 5.482 30 20 IKED C=CCn1c(SCc2nccn2C(F)F)nc2cc(-c3ccccc3)sc2c1=O 31741546 UTSIDILRRVARBP-UHFFFAOYSA-N 430.505 5.195 30 20 IKED CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1SCc1ccc(C#N)cc1 60683072 YJSOMALOGLSLRN-UHFFFAOYSA-N 430.529 5.242 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 61776447 XLIKPWMFACVZBV-UHFFFAOYSA-N 439.519 5.065 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 72087449 UYBSDQWYOTZXTD-UHFFFAOYSA-N 433.320 5.447 30 20 IKED N#CCCn1cc(CNCc2ccc(-c3nc4ccccc4[nH]3)cc2)c(-c2ccccc2)n1 237833612 GEHYAEVUVYAABG-UHFFFAOYSA-N 432.531 5.297 30 20 IKED CCn1c(SCC(=O)N(CCC#N)c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 249703446 ZZIHQYKCWWXPQA-UHFFFAOYSA-N 447.608 5.301 30 20 IKED CCCN(C(=O)c1cccs1)C1CCN(c2c(C#N)cnc3ccc(Cl)cc23)CC1 301774750 QKNVILULDCNYDF-UHFFFAOYSA-N 438.984 5.343 30 20 IKED C=CCN(C(=O)c1ncncc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 428331585 FZAFWUPCEYDVLQ-UHFFFAOYSA-N 432.936 5.753 30 20 IKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nc(C(F)(F)F)cs1 428598892 MHIZUEWDBMXZTQ-ZDUSSCGKSA-N 447.507 5.817 30 20 IKED COc1ccc(CN2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)cc1OCCCC#N 430202988 HMBKPNRPDADSAF-HXOBKFHXSA-N 448.485 5.359 30 20 IKED O=C1CN(Cc2ccc(F)cc2)C(=O)N1[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 431746453 UNVBZYQTILJRRQ-MRXNPFEDSA-N 448.338 5.302 30 20 IKED C[C@H](Oc1ccccc1NC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccccc1 432334969 LHPYOPJSWVUAPH-IBGZPJMESA-N 427.504 5.446 30 20 IKED N#C[C@H](NC(=O)c1c(Cl)cc(F)cc1Cl)c1ccc(OCc2ccccc2)cc1 432994021 NEKDZQYHNZOVMM-FQEVSTJZSA-N 429.278 5.706 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 437245299 JLNAATJBXNHHQH-UHFFFAOYSA-N 434.521 5.145 30 20 IKED COc1ccccc1-c1noc([C@@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)n1 438054511 MWQSOYAQHQHVAI-LSDHHAIUSA-N 437.525 5.022 30 20 IKED N#Cc1ccc(CSc2nnc(-c3cccnc3)n2Cc2ccccc2)c(OC(F)F)c1 439532831 TXODGXBQPGMUJT-UHFFFAOYSA-N 449.486 5.154 30 20 IKED CCCc1c(NC(=O)c2cc(Br)cn2C(C)C)cnn1-c1cccc(C#N)c1 440107129 UBDJPBMPDXRWPR-UHFFFAOYSA-N 440.345 5.094 30 20 IKED CCc1nnc(-c2cccc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)c2)o1 440596272 JPIKJWWOBWWTIP-UHFFFAOYSA-N 444.878 5.869 30 20 IKED N#C[C@H](C(=O)c1ccc(OC2CCOCC2)cc1)c1nc(-c2c(F)cccc2F)cs1 442812175 QHJMCMZPQSKJGB-QGZVFWFLSA-N 440.471 5.136 30 20 IKED C[C@@H](c1ccccc1)N1CC(=O)N(c2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1=O 445954475 BEZXTPNPCYAZAI-KRWDZBQOSA-N 445.906 5.320 30 20 IKED N#C[C@@H]1N(Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CCC[C@@]12CCCCO2 447918588 ZQRIFLUKSKQPLQ-UGKGYDQZSA-N 426.973 5.143 30 20 IKED C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N(C)[C@H](C)c1nc2ccccc2s1 460584422 NOBOXZBCLPLKSD-MRXNPFEDSA-N 449.580 5.346 30 20 IKED CCCNc1ccc(C#N)cc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 461716573 PBOYVXLBFNDQJH-UHFFFAOYSA-N 443.334 5.913 30 20 IKED C[C@H](C(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)c1cccc(C#N)c1 463259491 PDQKRDCNKRZSDT-NYHFZMIOSA-N 448.448 5.463 30 20 IKED C[C@H](C(=O)C(c1nc2ccccc2s1)c1nc2ccccc2s1)c1cccc(C#N)c1 464185768 NGAFOMGVDLRRBS-HNNXBMFYSA-N 439.565 6.282 30 20 IKED COc1ccc(-c2n[nH]cc2C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 464524469 NFUIEKRPCSHGNV-KRWDZBQOSA-N 434.908 5.352 30 20 IKED COc1ccc(C2CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CC2)cc1 465320251 RWGHLVSXMVPUDR-UHFFFAOYSA-N 430.479 5.518 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CNCCc2cccc(C#N)c2)cs1 466427311 XKWVRSLIPIUJIS-UHFFFAOYSA-N 444.482 5.050 30 20 IKED CCN(C(=O)NCCc1cccc(C#N)c1)[C@H]1CCSc2ccc(Br)cc21 466809454 OPPXCGWIHVDFDX-IBGZPJMESA-N 444.398 5.132 30 20 IKED COCC[C@H]1CCCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 467158912 FHSIHEQFOBCJOV-XMSQKQJNSA-N 425.960 5.666 30 20 IKED C=CCN1CCC(NC(=O)Cc2sc(-c3ccccc3)nc2-c2ccc(C)cc2)CC1 467202060 QFOBYPFMEJQTIZ-UHFFFAOYSA-N 431.605 5.095 30 20 IKED N#CCCCn1cc(C(=O)N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)c2ccccc21 469585033 NCQGEWJHMZTXEO-ZEQKJWHPSA-N 440.591 5.072 30 20 IKED N#Cc1ccc(Oc2cccc(NCc3nnc(-c4ccc(Br)o4)o3)c2)cc1 471665737 DSVUWRAVHFQVMX-UHFFFAOYSA-N 437.253 5.368 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCc1nc(C2CCCC2)no1 474723995 UJZHXKXKUITNEJ-UHFFFAOYSA-N 432.499 5.212 30 20 IKED N#Cc1cccc(CNC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@H](F)C(F)(F)F)(C4)C3)c1 477082210 CXKLFUSYSPEXSZ-JTMYGCHMSA-N 444.419 5.297 30 20 IKED C=C(C)[C@H](NC(=O)C(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1)c1ccc(F)c(F)c1 477644372 LUBHTFSYABXKDP-NRFANRHFSA-N 439.462 5.115 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NCc3cccc(NC(=O)C4CCC4)c3)c2)cc1 482580922 OISYRRPKFLMAHY-UHFFFAOYSA-N 425.488 5.019 30 20 IKED N#C[C@H](C(=O)c1cccnc1OCc1ccccc1F)c1nc2cc(Cl)ccc2s1 482581236 BZUDBKGJHFWSGR-MRXNPFEDSA-N 437.883 5.553 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3-c3ccc(F)cc3)o2)cc1 485723499 OWKNZQJWTAFXCU-UHFFFAOYSA-N 430.410 5.928 30 20 IKED CC(C)(C)C[C@@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccc(Cl)cc1 493472003 HVUSXKDOHXFMRC-LJQANCHMSA-N 444.000 5.578 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 494053779 DOPUZMCSWHUAMM-SFHVURJKSA-N 431.001 5.085 30 20 IKED CN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 498030530 IMRMZJWXBJXUJL-SJORKVTESA-N 441.375 5.399 30 20 IKED O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1ccc(-c2noc(C(F)(F)F)n2)cc1 499739687 QJXYCKRLFPABSW-UHFFFAOYSA-N 449.282 5.088 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccccc1F 501109271 RWZRUVDHUDUOBS-ZDUSSCGKSA-N 441.919 5.827 30 20 IKED Cc1cc(C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)nn1-c1cccc(C#N)c1 503399810 WDCOQCJKXXFZJF-UHFFFAOYSA-N 432.405 5.389 30 20 IKED C[C@H](C#N)CN(C)C(=O)NC[C@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 503566528 YIWPBSFDBWFJFK-HYBUGGRVSA-N 436.559 5.768 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)N1CCC(C)(C#N)CC1 504425752 CAPFDOBJQQIQHR-CQSZACIVSA-N 447.402 5.277 30 20 IKED Cc1ccc2oc(SCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccc(F)cc3)nc2c1 504538659 MFHQMSKOXRVAFV-UHFFFAOYSA-N 448.523 5.344 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(N3CCC(C)=N3)cc2)cc1 505620976 LREMGHCPGWEEIP-UHFFFAOYSA-N 426.476 5.197 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCc2cc(C(F)(F)F)ccn2)cc1 506757921 PRZZJDNZSRRFTA-UHFFFAOYSA-N 441.478 5.237 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccncc2)cc1 508237775 ALZAHVJRCFVXCK-HSZRJFAPSA-N 442.519 5.903 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCc2csc3ccccc23)cc1 511343626 UYLAGAQICCZVKB-UHFFFAOYSA-N 441.556 5.911 30 20 IKED COc1ccccc1-c1cccc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c1 511939675 QBCORJZHCRDPOX-UHFFFAOYSA-N 429.495 5.228 30 20 IKED CCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1OCC 512507894 DDHODFSYAXCWIM-LJQANCHMSA-N 431.517 5.359 30 20 IKED COc1cc(F)c([C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC 512528105 CCYZJTDWZNYGRS-OAHLLOKOSA-N 435.455 5.390 30 20 IKED COc1cccc(CN(C)C(=O)c2ccc(C(C)(C)C#N)cc2)c1OCc1ccccc1F 512989892 AZYASZOJBRBROD-UHFFFAOYSA-N 446.522 5.487 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4ccc(C(F)(F)F)cn4)cc3)o2)cc1 513169121 AIUCLCORKAFZFW-IBGZPJMESA-N 448.404 5.616 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 516638714 ZSTFDVSIZAHGDG-UHFFFAOYSA-N 434.588 5.442 30 20 IKED N#CCCSc1ccccc1NC(=O)c1ccc(Cl)c(I)c1 517443424 XEMRTSMAIAYNHG-UHFFFAOYSA-N 442.709 5.203 30 20 IKED C[C@@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1ccc(F)cc1F 517545670 WPEKHPLVJLGAMD-HNNXBMFYSA-N 431.914 5.016 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H]3CCCO[C@@H]3c3ccccc3)cc2)cc1 519988970 VMRAMFJYHRZCLF-PXDATVDWSA-N 427.504 5.640 30 20 IKED COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 520438010 YQXQTZVUHUMIQS-RUZDIDTESA-N 441.531 5.823 30 20 IKED C[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccccc1Oc1ccccc1 520911805 JFYMHMUGTIWBOV-NRFANRHFSA-N 441.531 5.383 30 20 IKED C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 521733824 HOCDOFLBDZWGQA-SUMWQHHRSA-N 447.482 5.558 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 522483409 KPMMGGZIOYINIZ-UHFFFAOYSA-N 435.439 5.791 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)[nH]c12 524034865 BBIJRTYSAZQCMX-KRWDZBQOSA-N 446.850 5.715 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 524437977 ILTUYJRZPJTSDN-IBVKSMDESA-N 441.531 5.440 30 20 IKED CN(C)C(=O)Nc1cccc(CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 525058686 LZFQRUYPCWGEOX-UHFFFAOYSA-N 448.910 5.027 30 20 IKED Cc1ccc(C)c(Sc2ccc(NC(=O)C3CCN(c4oc(C)nc4C#N)CC3)cc2)c1 525974404 JCWCHCRPEGCPFV-UHFFFAOYSA-N 446.576 5.478 30 20 IKED COc1ccc(Cc2nc(C)c([C@H](C)N[C@H](CCC#N)c3ccccc3)s2)cc1OC 536837800 HQXXFQOLAUPJTP-LAUBAEHRSA-N 435.593 5.755 30 20 IKED C=CCSc1ccccc1NC(=O)CN[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 537028788 OQNDIXXVFLBKPY-IBGZPJMESA-N 445.588 5.506 30 20 IKED C=CCCC[C@@H](C)NC(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 537232794 SSPMEKWRBOFPIR-CVEARBPZSA-N 441.622 5.547 30 20 IKED COc1ccc([C@H](OC)[C@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 537890251 ATRVLXWPIDWNKT-BXKMTCNYSA-N 432.545 5.224 30 20 IKED C[C@H](C#N)CSc1ccccc1N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 538445938 SXSBOFPYMCSHFT-UZLBHIALSA-N 447.526 5.560 30 20 IKED C[C@@H](NC(=O)N1CCC(C(=O)c2ccccc2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 542084162 DKLAEGGBCVTMPG-HXUWFJFHSA-N 437.543 5.591 30 20 IKED C=CCN(C(=O)c1cc(C)nc(C)n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 542513652 KHMCDVOBIURJNJ-UHFFFAOYSA-N 426.545 5.717 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)cc1 550949504 CEZZKMJCYFLSRN-UHFFFAOYSA-N 425.504 5.806 30 20 IKED CC(C)(C)c1cc(NC(=O)c2cc(Cl)ccc2I)c(C#N)s1 552703037 FQJNWEADGCCBGD-UHFFFAOYSA-N 444.725 5.428 30 20 IKED COc1cc(CNC(=O)N(C)[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)ccc1C#N 562250894 VPYPHMRFBKSBEF-KRWDZBQOSA-N 434.565 5.210 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCO[C@@H](c4ccc(Cl)cc4)C3)c2)cc1 564028503 RHMKAHROIGEOSD-XMMPIXPASA-N 432.907 5.004 30 20 IKED Cc1cc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc(N2CCCC2)n1 575633013 WKIICWVMISUNRL-UHFFFAOYSA-N 442.588 5.084 30 20 IKED CCc1cccc(CC)c1-n1c(SCc2ccc(C#N)cn2)nnc1-c1cccnc1 579427118 ZAKUHDVMECDHQO-UHFFFAOYSA-N 426.549 5.013 30 20 IKED COc1cccc([C@@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)c1 584324748 LJOXCKTVJJYANA-VWLOTQADSA-N 435.531 5.215 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1Oc1ncc(Cl)cc1Cl 603744538 QVUYXJULZPVRDE-ZDUSSCGKSA-N 428.275 5.458 30 20 IKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1[C@H](C)c1ccccc1 603917221 GEBMGAISRBXVRP-WYEJZRMESA-N 447.608 5.089 30 20 IKED Cc1nc2cc(F)cc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c2nc1C 603924009 UPLHYTIFVHCHQR-UHFFFAOYSA-N 440.478 5.283 30 20 IKED C=CCCCCCN(C)C(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1 606941270 XSJLVVLBMJIKNW-UHFFFAOYSA-N 447.938 5.950 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)c1ccc2ccccc2n1 608552795 NSIWSSGQQXBFIX-OAQYLSRUSA-N 434.430 5.581 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 608915322 NBYYARFRRGUMDM-UHFFFAOYSA-N 425.382 5.204 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccnc1SCc1ccc(F)cc1 609377045 OSOCQNIHTQJIDC-MRXNPFEDSA-N 437.565 6.017 30 20 IKED CCCC(=O)Nc1ccc(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 609503933 IPYZUUJHINKLNS-UHFFFAOYSA-N 427.504 5.214 30 20 IKED C[C@@H](Sc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)c1ccc(C#N)cc1 609813619 SHNAULDZHGKJLE-QGZVFWFLSA-N 440.528 5.447 30 20 IKED COc1ccc(COCCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 609856724 FELOQPJRRAYFLH-QHCPKHFHSA-N 434.923 5.549 30 20 IKED COc1ccc(-n2c(SCc3nnc(-c4ccc(C#N)cc4)o3)nc3ccccc32)cc1 610217166 ZXCRLYANZYXUQN-UHFFFAOYSA-N 439.500 5.248 30 20 IKED CC(C)S(=O)(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 613319260 BKKAFJZQHCEHNP-GOSISDBHSA-N 444.965 5.136 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 615683733 XIULMMHBKRLRTD-GJZGRUSLSA-N 438.412 5.302 30 20 IKED C[C@H](Oc1ccc2ccccc2c1)c1nnc(N2CCC(C#N)CC2)n1Cc1cccs1 619853671 JSYNKKNBNFMAAW-SFHVURJKSA-N 443.576 5.421 30 20 IKED O=C(Nc1cccc(OC(F)(F)F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642482822 LQPROTQXEOQFMH-RKDXNWHRSA-N 438.290 5.616 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 670227839 BLBLTEXSKFVZHX-AOYPEHQESA-N 446.595 5.175 30 20 IKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674445318 BQCLNIRBENJQME-AOOOYVTPSA-N 447.219 5.537 30 20 IKED CN(Cc1ccccc1)Cc1cccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c1 680167669 GHEUFEQDEKQTGI-OAQYLSRUSA-N 429.520 5.557 30 20 IKED CCCc1c(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cnn1-c1cc(F)c(OC)cc1F 680169593 NSXMKGWFZCRAJP-INIZCTEOSA-N 446.457 5.150 30 20 IKED O=C(N1CCC(F)(F)CC1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 684519213 CUOATJBSZQMUAO-HAGFODQVSA-N 433.383 5.366 30 20 IKED N#C[C@H](C(=O)[C@H](OC1CCCC1)c1ccccc1)c1nc(-c2c(F)cccc2F)cs1 727050822 ITPVOCGEKUBWJF-UZUQRXQVSA-N 438.499 5.965 30 20 IKED CC(C)[C@H](OC(=O)c1cc2ccccc2n1CC#N)C(=O)Nc1cccc(C(F)(F)F)c1 729767124 VRNLXIJGWDQEKK-FQEVSTJZSA-N 443.425 5.004 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nc(-c2ccccc2)cs1 730664367 GOLAGFBBCFVSSW-WZONZLPQSA-N 438.556 6.348 30 20 IKED C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1nc2ccc(Cl)cc2[nH]1 732545775 XQJPLUOAGSZGFA-CQSZACIVSA-N 432.936 5.730 30 20 IKED CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 733147455 OIVVGBNRYNSIBM-UHFFFAOYSA-N 445.494 5.513 30 20 IKED CCSc1ccc([C@@H](C)NC(=O)NCc2ccc(OC)c(O[C@@H](C#N)CC)c2)cc1 733648879 LKBAGKFZRKSSSH-VQIMIIECSA-N 427.570 5.049 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(OCc3ccc(C)cc3)c2)c1 733845170 OCYAMMAPPKQNGI-QHCPKHFHSA-N 429.520 5.577 30 20 IKED C[C@@H]1CN(c2ccc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)cc2)C[C@@H](C)O1 734322916 PEYNWXYMHOXXKL-WOJBJXKFSA-N 441.531 5.003 30 20 IKED C=CC[C@@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1)c1ccncc1 734684819 WPLKHUFFIRIALC-YKSBVNFPSA-N 449.576 5.135 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)cc1 734705369 BLPHUJKWTUQFRT-QGZVFWFLSA-N 442.441 5.160 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cccc(N3CCOCC3)c2)c1 735009969 ULIPLLLDPYCYNL-UHFFFAOYSA-N 433.895 5.093 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 735369338 XPQVQWLXGMDYAA-HXUWFJFHSA-N 446.463 5.390 30 20 IKED CC(C)c1nn(-c2ccccc2)c(Cl)c1/C=C\C(=O)c1ccc(S(C)(=O)=O)c(F)c1 741846314 CYVVVFCUFUXBNZ-KHPPLWFESA-N 446.931 5.088 30 20 IKED Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)NCc1ccc(C#N)cc1 743204140 AWZGAOAZMJKCER-UHFFFAOYSA-N 441.510 5.925 30 20 IKED N#C[C@@H]1C(CN2CC=C(c3cccc4ccccc34)CC2)=CC(=O)n2c1nc1ccccc12 746171580 DOFCLKCTVZOUIX-XMMPIXPASA-N 430.511 5.166 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=S)Nc2ccc(NC(C)=O)cc2)cc1 751013056 FHBMSIKWXBIKRV-UHFFFAOYSA-N 432.505 5.126 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cn1nc(C2CC2)n(Cc2ccccc2)c1=S 751931944 LTHSUTFWVDYLQX-PKTZIBPZSA-N 429.593 5.069 30 20 IKED COC(=O)C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1 752636771 MRNHNKPLNHSLNO-GOTSBHOMSA-N 447.922 5.421 30 20 IKED CN(C(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1)c1ccccc1C#N 752820292 WYPRCQMLJGZPKB-UHFFFAOYSA-N 442.700 5.438 30 20 IKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(C2CC=CC2)C1=O)Nc1ccccc1F 759692225 ZLYUCNWSFDVIDC-LJQANCHMSA-N 443.931 5.158 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccc2c(c1)CC(=O)N2C 761416180 ASHNPGUBXRQNAV-OAHLLOKOSA-N 445.906 5.014 30 20 IKED C=CCC[C@@H](NC(=O)NC1CCC(O)(c2cccnc2)CC1)c1ccc(C(F)(F)F)cc1 770450030 FNHQDORAKBBFEX-WQMHRJNTSA-N 447.501 5.237 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)ccc1OC 772986097 NLMQGDFTLLZRAV-RXVVDRJESA-N 425.548 5.356 30 20 IKED N#CCOc1ccc(CNC(=O)N[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)cc1 773541195 FSOSDHIBAXOQDY-LJQANCHMSA-N 437.849 5.212 30 20 IKED C[C@@H](CCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)NC(=O)OC(C)(C)C 774053582 JDMHJMYQMUFELH-XJKSGUPXSA-N 433.961 5.333 30 20 IKED C[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1cc(F)c(Cl)cc1Cl 774810059 OTNMUFZBCAQCQS-FZMZJTMJSA-N 429.282 5.020 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCN(C(=O)OC(C)(C)C)C(C)C)n2)cc1 777298976 WSOHYHOHRDSMAK-SFHVURJKSA-N 443.569 5.031 30 20 IKED C[C@@H](NC(=O)N[C@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21)c1cccc(C#N)c1 777569395 FUSCSKAQVMSDNW-ZHRRBRCNSA-N 434.540 5.343 30 20 IKED COc1ccc([C@H](NCc2ccc(O[C@@H](C)C#N)cc2)c2ccc(C(F)(F)F)cc2)cc1 778646281 NXLGYOXSDJYGSL-BXKMTCNYSA-N 440.465 5.884 30 20 IKED CCOC(=O)Nc1ccc(NCc2ccc(Br)c3cccnc23)cc1C#N 779599219 LZUHACWNAVQUCK-UHFFFAOYSA-N 425.286 5.049 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 780157723 ILCBFGYGGHTMON-MRXNPFEDSA-N 445.569 6.132 30 20 IKED N#CC1(COC(=O)c2sc3cccc(F)c3c2COc2ccccc2)CCOCC1 780538149 COVPHEWZFOBJHJ-UHFFFAOYSA-N 425.481 5.097 30 20 IKED CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)Nc1ccccc1O[C@@H](C)C#N)OCC3 781034237 BTMGBDTZRHGWED-QLXKLKPCSA-N 431.536 5.228 30 20 IKED C[C@@H](NC(=O)c1ccc(CN2CCCCC2=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 782488235 SQZTUDNVZAHMBI-HXUWFJFHSA-N 437.543 5.229 30 20 IKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc(C(F)(F)F)c1F 785880052 GJAVUFWAALMHPK-LLVKDONJSA-N 433.188 5.421 30 20 IKED COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2S[C@H](C)CCC#N)cc1Cl 787489267 RECGJWZVLBKINW-LVLBFHFTSA-N 431.970 5.579 30 20 IKED N#CCCn1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2Cl)c(-c2ccncc2)n1 788342674 ATSQBNZGKYUKHX-GORDUTHDSA-N 431.710 5.715 30 20 IKED CCCCOc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1 789156933 HGAQIRNEKXRTTP-GDNBJRDFSA-N 434.561 6.211 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccsc2)N(CC(F)F)C1=O)Nc1cccc2ccccc12 790741260 FNQVLQOLGZAJFB-KRWDZBQOSA-N 445.516 5.127 30 20 IKED COc1ccccc1-c1csc(C2CCN(c3nc4ccccc4cc3C#N)CC2)n1 790818175 QIMAYZUQNPJTGC-UHFFFAOYSA-N 426.545 5.623 30 20 IKED Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)C[C@H](CC#N)c2ccccc2)c2ccccc2)c1 795982691 RPEBJIISUYYTBJ-OZXSUGGESA-N 426.516 5.614 30 20 IKED COCCOC1CCC(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)CC1 796651129 PNEDPYOVLUVCSO-WDWFEWGPSA-N 442.625 5.009 30 20 IKED CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1F 799211010 GXCRGQVSNMGXLG-HNNXBMFYSA-N 440.327 5.113 30 20 IKED N#Cc1ccccc1/C=C/C(=O)N(Cc1ccncc1)c1ccc(F)c(Br)c1 799505381 HUQIRGDITCUNTL-VMPITWQZSA-N 436.284 5.101 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 804462450 AOIHIJBFZJQWLP-UHFFFAOYSA-N 432.524 5.472 30 20 IKED C=CC[C@@H](NC(=O)C(=O)N(C)[C@H](c1ccc(Cl)cc1)C(CC)CC)c1ccncc1 805812685 BDNHKHJCTVUFIY-YADHBBJMSA-N 427.976 5.104 30 20 IKED C[C@H](OC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1nc2ccccc2n1C 805889828 PVUIZMCOKVEZJO-INIZCTEOSA-N 436.943 5.009 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)n2)cc1 810533396 YKXSWMJYLLWUHH-ZDUSSCGKSA-N 438.862 5.172 30 20 IKED N#CCc1cccc(S(=O)(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)c1 811822706 LPCUQLAWJNLEAN-UHFFFAOYSA-N 430.363 5.045 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)s1 813447431 ROGZDEWFLXJOKG-CQSZACIVSA-N 440.352 5.421 30 20 IKED CC(C)(C)OC(=O)N1CCc2c(NC(=O)N[C@H](CCCC#N)c3ccccc3)cccc21 814662792 ASZGMFBRSIEAQI-HXUWFJFHSA-N 434.540 5.541 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1nc(-c2ccccc2)cs1 814848158 OPIKZQMDAQUHOS-UHFFFAOYSA-N 440.454 5.517 30 20 IKED FC(F)(F)C(F)(c1ccc(-c2nc(Cn3cnc4ccccc43)no2)cc1)C(F)(F)F 904738004 FEEUTRSPHRWAKS-UHFFFAOYSA-N 444.310 5.424 30 20 IKED CC(C)(C)OC(=O)NCCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102775 HBPZIZGENPSMDX-ZDUSSCGKSA-N 440.352 5.208 30 20 IKED COc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c(F)c1 916141367 FZMXUUZSKUEQLM-BJMVGYQFSA-N 444.289 6.290 30 20 IKED CCOc1c(Cl)cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1OC 916546341 MGUAXHSNNYFKPH-UHFFFAOYSA-N 437.352 5.167 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(SC(F)(F)F)cc1 916901995 UWLIPOPBKCPQEL-ZDUSSCGKSA-N 442.846 5.230 30 20 IKED C/C=C/c1ccc(OCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(OC)c1 917042866 ICGKOFKQODEADK-NHZBNJEXSA-N 446.450 5.612 30 20 IKED C=CCN(Cc1ccccc1F)Cn1nc(-c2ccncc2)n(-c2ccccc2)c1=S 918181480 JBKSISBFDGPCDZ-UHFFFAOYSA-N 431.540 5.250 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(C(F)(F)F)cc3)n2)cc1 920143993 VRRJMXJRDWZHIU-QGZVFWFLSA-N 432.423 5.093 30 20 IKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)c(C)o1 1788649308 HSJWJSFTYBMWBH-ZHACJKMWSA-N 448.544 5.145 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](CC)N(CC)CC)CCC2)cc1 1789448757 GIMHZOHLLPIQBT-GOTSBHOMSA-N 425.617 5.009 30 20 IKED CC(C)[C@H]1CC[C@H](C(=O)NC2(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC2)CC1 1789578460 UNAMWRIEYUXAHU-GLRQKXCESA-N 449.595 5.295 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(Cl)cncc3Cl)CCC2)cc1 1791243702 BPTYUFQCGNVXPZ-CQSZACIVSA-N 432.351 5.348 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H](c3ccccc3)N(CC)CC)CCC2)cc1 1791583731 FIQWBUQXRPIJSD-AREMUKBSSA-N 445.607 5.007 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(F)c(F)c(Cl)c3)CCC2)cc1 1791585035 XBAKGXVVDAEDDH-UHFFFAOYSA-N 430.882 5.169 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C[C@@H]4CCCCO4)CCC3)cc2)c1 1792122645 DILOURCVMFFSQF-DVECYGJZSA-N 445.563 5.021 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1802497668 YTJQZYPRIOAKAO-IFMALSPDSA-N 439.987 5.047 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)n[nH]1 1816202485 BXXCXWUVDWJICW-OPAMFIHVSA-N 449.530 5.062 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3occ(Cl)c3c2)n[nH]1 1820232034 HOFKYLZAUMFWTH-IFXJQAMLSA-N 440.931 5.327 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3nc(C)ccc3o2)CC1 1827278320 FLAQQCRNLOEEKK-FYYLOGMGSA-N 449.595 5.138 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc(F)c2F)CC1 1828829961 OKWREKVPBZHFGP-DENIHFKCSA-N 448.529 5.106 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2onc3ccccc23)CC1 1830925192 ZAMSGOBVCJFSAA-JOCHJYFZSA-N 437.584 5.054 30 20 IKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C)c3ccccc23)CC1 1832998720 RMXIGCSEJZCQCN-SANMLTNESA-N 432.608 5.277 30 20 IKED Cc1cc(C)cc(N/C(S)=C(\C(=O)c2cc(C)n(C)c2C)[n+]2ccc3c(c2)CCCC3)c1 10172575 JOQKWOHSSVTXBY-UHFFFAOYSA-O 446.640 5.476 30 20 IKED Cc1c(Cl)cccc1Nc1nnc(S[C@H](C)C(=O)NC2(C#N)CCCCC2)s1 16323795 DJISLGZETAACPP-CYBMUJFWSA-N 436.006 5.067 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2cccc(-c3csc(C)n3)c2)n1 21515184 SWRNRHYRBNOPID-UHFFFAOYSA-N 448.495 5.443 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 23603953 XSMFNEQHMRAHDT-UHFFFAOYSA-O 444.527 5.134 30 20 IKED Cc1nc(Cc2ccccc2)sc1/C(O)=N/c1nc(CN2CCCCCC2)cs1 30559718 RVTAAQOWDRQIOI-UHFFFAOYSA-N 426.611 5.511 30 20 IKED Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccc(C#N)cc3)c3cnn(C(C)C)c3n2)s1 105869435 GNMDORKPUGPYSE-INIZCTEOSA-N 429.549 5.412 30 20 IKED COc1cccc([C@H](CNc2snc(Cl)c2C#N)c2c[nH]c3ccccc23)c1OC 111220050 SNXMWJLZZWQVLS-KRWDZBQOSA-N 438.940 5.411 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)c2ccn(-c3cccc(C#N)c3)n2)cc1 409726034 FJRNLLZVEVVXPR-LJQANCHMSA-N 436.515 5.253 30 20 IKED CCCOc1ccccc1Oc1ncccc1CNC(=O)Nc1ccc(C#N)c(Cl)c1 410012498 CNKIGVSROGKZNY-UHFFFAOYSA-N 436.899 5.509 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 410296397 ACQRPVWUJLDCRI-FQEVSTJZSA-N 440.547 5.493 30 20 IKED N#CCCC[C@@H](Nc1nc(-c2cnccn2)nc2sc3c(c12)CCCC3)c1ccccc1 431497781 YXLXCLVFPFIWPB-LJQANCHMSA-N 440.576 5.874 30 20 IKED CC1(C)CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)[C@H]1c1cccnc1 432772287 SFNLNXWPDYFWTA-QFIPXVFZSA-N 432.911 6.014 30 20 IKED C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 435099023 PTEIJFVYVNKELU-IBVKSMDESA-N 425.532 5.742 30 20 IKED Cc1nc(NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)sc1SCC#N 436290259 IZYXEWQOJOQXHY-UHFFFAOYSA-N 439.440 5.478 30 20 IKED Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 437928965 RRJLZJYLQQQFSN-UHFFFAOYSA-N 432.455 5.144 30 20 IKED C=CCN(C(=O)c1cn2c(n1)CCCC2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 440443420 NCNLIUSEIOZSGU-UHFFFAOYSA-N 433.364 5.483 30 20 IKED N#CC1CCC(CNC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)CC1 441794098 WFCOEZYMJYGIPL-UHFFFAOYSA-N 428.895 5.183 30 20 IKED C[C@H](c1cccc(C#N)c1)c1nc(-c2ccc(C(F)(F)F)nc2OCC(F)(F)F)no1 463058898 WEYZEHUZYVHDSZ-SNVBAGLBSA-N 442.319 5.115 30 20 IKED Cc1ccc(C(=O)N[C@](C)(C#N)C(C)(C)C)cc1NC(=O)c1ccc(Br)cc1 464160410 BUQJXFVLFLSPBU-JOCHJYFZSA-N 442.357 5.068 30 20 IKED N#C[C@@H]1N(C(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)CCC[C@@]12CCCCO2 468658608 ILUWUGVZPHAVAE-UGKGYDQZSA-N 432.492 5.084 30 20 IKED Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1 470254015 GZUNTTDFWPLTTR-IZZNHLLZSA-N 426.516 5.096 30 20 IKED Cc1sc([C@@H](C)NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)nc1-c1ccc(Cl)cc1 471055115 GBVMORNWWFYIPN-AUUYWEPGSA-N 434.952 5.203 30 20 IKED CCN(CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@@H](C)c1cccc(OC)c1 472423241 BWIFVUKRWBRVPC-FQEVSTJZSA-N 448.567 5.038 30 20 IKED COc1cc(CN(C)Cc2nc(C(F)(F)F)cs2)ccc1OCc1cccc(C#N)c1 472458468 XKKMCSMWIUCSOD-UHFFFAOYSA-N 447.482 5.253 30 20 IKED COc1c(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)oc2ccccc12 473724655 MRZLZQNXZUAIIY-UHFFFAOYSA-N 441.487 5.408 30 20 IKED C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 473775507 XVUDCFMKGZCHCV-UHFFFAOYSA-N 439.331 5.010 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)n1 474428553 RAHZHLYJJCHMRH-GOSISDBHSA-N 432.480 5.613 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 475167137 AEIUDJJZVRPDKT-UHFFFAOYSA-N 447.560 5.430 30 20 IKED COc1ccc(C[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)c2ccccc2)cc1OC 475584647 IILYVBUEBDDCQQ-QHCPKHFHSA-N 428.532 5.219 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C(=O)Nc1ccccc1 481380729 MNVXGZNWADHXHD-IIBYNOLFSA-N 432.911 5.144 30 20 IKED N#CC1(F)CCN(C(=O)Nc2ccc(Oc3cccc(F)c3)c(Br)c2)CC1 484590246 KSCYPIJRPLOETI-UHFFFAOYSA-N 436.256 5.240 30 20 IKED CC(C)(C)CN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1 486611983 UGCGGZMYNBFCJB-UHFFFAOYSA-N 432.524 5.102 30 20 IKED C=CCn1c(SCCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccoc1C 488028733 UZABYYKEDQLVHF-UHFFFAOYSA-N 436.459 5.172 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cc(Cl)ccc3C)o2)cc1 489786985 CRSYYAJAKQQHPB-CQSZACIVSA-N 429.929 5.383 30 20 IKED Cn1nc(-c2cccc(C(F)(F)F)c2)cc1NC(=O)N[C@@H](CCC#N)c1ccccc1 492359089 VJOVORGUYMCZSI-SFHVURJKSA-N 427.430 5.272 30 20 IKED CCN(C(=O)CCc1c(C)nn(CCC#N)c1C)[C@H](c1ccc(Cl)cc1)c1cccnc1 496449763 RONJLAZDOUIFMX-RUZDIDTESA-N 449.986 5.033 30 20 IKED Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 505814759 HXXRWTVIUSOAAD-OAQYLSRUSA-N 434.565 5.271 30 20 IKED C=CCN(C(=O)Cc1noc2ccccc12)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 506862847 SPUODIVCXIDHLP-UHFFFAOYSA-N 444.343 6.020 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc1 508257752 IZGHLAWZPADYGC-JOCHJYFZSA-N 447.922 6.382 30 20 IKED C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(Nc2cccc(C)c2)CC1 508907023 KJDKWMFFWCKAMR-IBGZPJMESA-N 435.547 5.133 30 20 IKED CN(C)c1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c(C(F)(F)F)c1 509162991 DZCWLUZVSODDHG-UHFFFAOYSA-N 439.437 5.474 30 20 IKED COc1cccc(N2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)c1 510905899 UGNHSKZIVPVNFI-UHFFFAOYSA-N 442.519 5.022 30 20 IKED N#CCCN(C(=O)CCc1nc([C@H](F)c2ccc(C(F)(F)F)cc2)no1)c1ccccc1 512043542 ZNBCZQVXHMRFPE-HXUWFJFHSA-N 446.404 5.027 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1oc2ccccc2c1COc1ccccc1 517460979 IWLJBGFSWNSUJT-SFHVURJKSA-N 442.540 6.516 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(NC(=O)c4cccnc4)c3)cc2)c1 517515069 FVMMSMOEOXZKIV-UHFFFAOYSA-N 434.455 5.250 30 20 IKED C[C@@H](Sc1nccn1-c1ccc(C(F)(F)F)cc1)C(=O)N(CCC#N)c1ccccc1 517658715 QCPHTTSDIAWRFF-MRXNPFEDSA-N 444.482 5.319 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(Br)cc1Cl 518130563 ZUZGENZIHPRQTC-LBPRGKRZSA-N 439.762 5.514 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1ccc(C(F)(F)F)cc1 518656379 RPNJGFGOQDKXJF-HUUCEWRRSA-N 438.540 6.390 30 20 IKED C=CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 519034944 HTSFTWMBKMBJCF-FQEVSTJZSA-N 441.583 5.149 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1 519432819 AZKDMTCODZVOOR-UZUQRXQVSA-N 436.964 6.351 30 20 IKED CCCO[C@@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 520850841 YDHZCSLDVQPZDG-IRLDBZIGSA-N 425.960 5.808 30 20 IKED COCCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)[C@H](C)c1ccccc1 521208999 MHSAKGYLOHBDOP-HXUWFJFHSA-N 429.520 5.901 30 20 IKED N#C[C@H](C(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1nc(-c2c(F)cccc2F)cs1 521259261 MDYYGJBYOHKFMX-DLBZAZTESA-N 440.471 5.136 30 20 IKED Cc1ccc(C)n1-c1nc(CC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cs1 521491073 IONBQXAIWPVJGX-UHFFFAOYSA-N 428.517 5.396 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 521840931 NZOFCRTWPWQAGH-UHFFFAOYSA-N 440.547 5.178 30 20 IKED CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1 522521014 SKFYYCMWKNHZLN-HKBQPEDESA-N 433.533 5.045 30 20 IKED CC[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nnc2n1CCCCC2 522648824 FJAJMCAFIYGNDU-FQEVSTJZSA-N 449.942 5.203 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2 524249779 CWNXZAWJYKNPLI-UHFFFAOYSA-N 441.531 5.490 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1 526101782 AUKVNQWYQUGRHQ-HXUWFJFHSA-N 443.572 5.248 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(-c2ccccc2)c(C)nc1O 530923808 FJUNTPWCUCGAIJ-UHFFFAOYSA-N 435.483 5.987 30 20 IKED CC(=O)Nc1cccc([C@H](C)NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1 536377102 GQMCHLQDZLVTNP-HNNXBMFYSA-N 433.895 5.453 30 20 IKED Cc1ccc(-n2c(SCCCC3(C#N)CCOCC3)nnc2-c2ccccc2F)cc1 537465604 MUPQDSQHRBEIAZ-UHFFFAOYSA-N 436.556 5.575 30 20 IKED N#Cc1cc(NC(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)ccc1OCC(F)(F)F 539738173 DZATVNJUIIEMHM-KDOFPFPSSA-N 442.796 5.008 30 20 IKED CCCCn1cc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(C)n1 540223814 HURBANIQYQGRIK-UHFFFAOYSA-N 431.540 5.072 30 20 IKED CC[C@@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1nc(C(F)(F)F)cs1 541637545 ZUWQGCRWGMHEMA-QWHCGFSZSA-N 442.532 5.093 30 20 IKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)N1CCC(CC#N)CC1 541971423 ZYXRDRLHVVQRKB-UHFFFAOYSA-N 444.457 5.424 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2oc3c(Br)cccc3c2C)c1C 542002429 HHFRJLMKKYUHGZ-UHFFFAOYSA-N 449.308 5.430 30 20 IKED Cc1cccc(C)c1[C@H](C)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 546201861 BQUBQJKTKRRXGA-PGRDOPGGSA-N 445.950 5.428 30 20 IKED C=C[C@@H](Cc1nc(Cc2nc(O)c3c(-c4ccccc4)csc3n2)no1)c1ccccc1 546246371 URIWPSFAXDMAKY-INIZCTEOSA-N 440.528 5.550 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)Nc2ccccc2Oc2ccccc2Cl)CC1 548870615 IXIZLIFEEUGBDC-UHFFFAOYSA-N 432.911 5.617 30 20 IKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)NCC(C)(C)CCC#N 554416211 ZROGUXWEPNWZMZ-UHFFFAOYSA-N 446.473 5.718 30 20 IKED CC(C)c1cccc(O[C@H](C(=O)N2CCC(C#N)(c3ccccn3)CC2)c2ccccc2)c1 554537081 JRGQHXRKXLKCEG-SANMLTNESA-N 439.559 5.409 30 20 IKED O=C(CN1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1)Nc1ccccc1C(F)(F)F 554853872 KSUXCSDARNCLIV-SFHVURJKSA-N 434.355 5.233 30 20 IKED Cc1cc(C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(C(F)(F)F)n1 560250027 MTODVKYSKRUGLK-UHFFFAOYSA-N 445.285 5.114 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3ccc(Sc4ccncc4)cc3)CC2)c(F)c1 560599638 WYVJNUSZSZRXIH-UHFFFAOYSA-N 432.524 5.099 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 563504745 PINHBDGCROXCFG-QWHCGFSZSA-N 436.364 5.204 30 20 IKED N#Cc1ccc(C[C@@H](C#N)c2nc(-c3ccnc(Oc4ccccc4Cl)c3)no2)cc1 564685194 ABLQUDPNBSLKST-SFHVURJKSA-N 427.851 5.299 30 20 IKED CCC[C@H](NC(=O)N(CCOC)Cc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 565137293 WMYNNWWBAZCVOB-NRFANRHFSA-N 433.474 5.276 30 20 IKED Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)Nc3ccccc3CC#N)c12 567021873 GOVWIKBPFCSZIG-UHFFFAOYSA-N 436.393 5.535 30 20 IKED N#Cc1ccc(Cl)c(C(=O)N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)c1 567367390 FXXJQVHIVNGCGR-FQEVSTJZSA-N 440.728 5.083 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(c2nccc3sccc23)CC1 568096981 KETYPCREWNNWBB-MRXNPFEDSA-N 437.594 5.045 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C(F)F)cc2)cc1Cl 576497966 NGZOHIFOBIVJRX-LJQANCHMSA-N 432.879 5.734 30 20 IKED Cn1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(C2CCCCC2)n1 588739220 ZGOUZJUMTCQQRK-AWEZNQCLSA-N 426.492 5.360 30 20 IKED CC(=O)c1ccc(OCCCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 590234767 DRTFJDMBAPRTMR-UHFFFAOYSA-N 442.515 5.446 30 20 IKED CCc1noc2ncc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc12 590388489 GAHQMTVRWOWDCQ-CQSZACIVSA-N 443.315 5.706 30 20 IKED Cc1nn(-c2ccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)c(C)c1Br 603569532 MOVFISOFTRTYLG-UHFFFAOYSA-N 437.341 5.305 30 20 IKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604499986 SYBYUNFAPXMGBI-HNNXBMFYSA-N 440.425 5.989 30 20 IKED C=CCN(C(=O)Cc1csc(C(C)(C)C)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 608846158 BLTTYWGKWRIOFG-UHFFFAOYSA-N 442.566 5.234 30 20 IKED Cc1cccc2c1CC[C@H]2NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 609189638 CWMIMQJZGOPZCZ-HSZRJFAPSA-N 441.556 5.015 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 609296370 LTVOKYRUOPQFMK-LJQANCHMSA-N 448.473 5.338 30 20 IKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c12 609376786 JTBPDXSBYWCZHX-CQSZACIVSA-N 446.507 5.841 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 609845455 QWRYLIBHLDJRLH-XLIONFOSSA-N 447.564 5.890 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 610043206 MFFWMZKTRBWXHC-UHFFFAOYSA-N 431.448 5.184 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCCc3cc4ccccc4o3)c2)cc1 610093287 HLJJGOSQGWWEMP-UHFFFAOYSA-N 425.488 5.442 30 20 IKED N#CCN1CCC(NC(=O)c2cccc(CSc3cc(Cl)cc(Cl)c3)c2)CC1 610180096 VGTQFZKPFQHGNY-UHFFFAOYSA-N 434.392 5.003 30 20 IKED O=C(CCc1ncc(-c2ccccc2F)o1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618301000 INRZULZLBABZCD-TXEJJXNPSA-N 438.343 5.003 30 20 IKED CCCOc1ccc(Oc2ncccc2CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1 618804273 HYHYGORPFLGYBC-DEOSSOPVSA-N 442.519 5.021 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cnc2c(F)ccc(F)c2c1 645071191 JCBUOESBECWWKG-UWVGGRQHSA-N 426.307 5.152 30 20 IKED O=C(c1cc(F)c(C(F)(F)F)c(F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 683195279 GTKJEELHELYXQT-OCAPTIKFSA-N 429.229 5.187 30 20 IKED N#CCOc1ccc(CNC(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)cc1 727933837 IYKBULQCWVGJGE-OAHLLOKOSA-N 436.364 5.197 30 20 IKED COc1ccc(N=Cc2cc3ccccc3nc2O)cc1OCc1ccc2ccccc2n1 727973420 ZYHMQPVOPFOLJH-UHFFFAOYSA-N 435.483 5.827 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)c1 730396096 MTRHPTLMFUGWED-HSZRJFAPSA-N 432.907 5.118 30 20 IKED N#C[C@@H](C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1nc2cc(F)ccc2s1 730416856 ILPJUHZXMWFHTD-KVZIAJEVSA-N 441.572 5.257 30 20 IKED C=CCn1c(Cc2ccccc2)nn(CN2CCC(OC3CCC(C)CC3)CC2)c1=S 731027609 YLNNPEUVJBAOME-UHFFFAOYSA-N 440.657 5.208 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(OC2CCCC2)cc1 731072695 CIJMTYXHZJFXJL-KRWDZBQOSA-N 438.549 5.055 30 20 IKED CCCCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 731400452 OJQMVAZHUCZKOK-RTBURBONSA-N 430.618 5.021 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 733629968 MOOVDQQRGPENBM-UHFFFAOYSA-N 448.454 5.489 30 20 IKED FC(F)(F)c1cc(NN=C2CCCOc3c(Cl)cccc32)nc(-c2cccnc2)n1 733747902 XAUDFCAORJBDBG-UHFFFAOYSA-N 433.821 5.200 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccccc2)[C@H](C)c2ccccc2)c1 733805660 SYZUXAYELGZKTL-PXDATVDWSA-N 427.548 5.841 30 20 IKED C=CC[C@H](NC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccncc1 734656155 BFJIMJMWYZRDHO-VWLOTQADSA-N 437.547 5.110 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)cc1 734930727 XOFHIJGDYNCZQH-NOZRDPDXSA-N 428.511 5.272 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)c1 734997727 ZKTDCTXRVDEHHS-UHFFFAOYSA-N 429.766 5.443 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)C[C@H](C)c1ccc(C(C)C)cc1 739154061 IABYLIIIDVZWHU-KXBFYZLASA-N 426.944 5.622 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 741639212 RTWSRBDXZABMDT-UHFFFAOYSA-N 431.492 5.030 30 20 IKED Cc1csc(SCc2ccccc2C(=O)OCc2nnc(-c3cccc(C#N)c3)o2)n1 741831420 LLXOVRLDUAHSFN-UHFFFAOYSA-N 448.529 5.023 30 20 IKED Cc1cc(/C=C\C(=O)c2ccc(S(=O)(=O)CC(F)(F)F)cc2)cc(C)c1OC(F)F 741840835 ADTMBCOVHDIWQZ-BAQGIRSFSA-N 448.409 5.137 30 20 IKED O=C(/C=C\c1ccc(-c2ccccc2F)s1)c1ccc(S(=O)(=O)CC(F)F)cc1 741851966 GXNGTQFFZVEUJZ-XFFZJAGNSA-N 436.476 5.489 30 20 IKED C/C(=C/C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F 741909204 FYNDOOBPEFOHOU-CIYHXPSUSA-N 433.314 5.698 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1 744028553 JUJOLRKTIXYNJY-FQEVSTJZSA-N 449.551 5.428 30 20 IKED C=CC[C@H](NC(=O)N[C@@H](c1ccc(OC)cc1C)c1ccccc1Cl)c1ccncc1 745827487 KTDPSXAMSHTUBX-ZEQRLZLVSA-N 435.955 5.758 30 20 IKED CC(C)(C)N(N=Cc1cccc(OCCC(=O)O)c1)C(=S)Nc1cccc(Cl)c1 746680304 RYAFUEMMVAHCLA-UHFFFAOYSA-N 433.961 5.025 30 20 IKED CC(C)(C)OC(=O)NC1(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CCC1 747108563 HXNQYPBCQOABBI-MRXNPFEDSA-N 445.972 5.477 30 20 IKED CC(C)(C)OC(=O)NCC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 748988947 OALWLFVUCCVFPL-HSZRJFAPSA-N 448.567 5.111 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(OC3CCCCC3)nc2)cc1 750302931 OUODQMWSSJKMIO-RUZDIDTESA-N 440.547 5.770 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)cc1 750999225 YCWBTXFJPVZQFC-PZJWPPBQSA-N 433.533 5.532 30 20 IKED O=C(Oc1ccc(C=NOc2ccccc2C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 754712288 JUMHDFQMDWJCEZ-UHFFFAOYSA-N 430.338 5.246 30 20 IKED COc1ccccc1[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccn1 760732363 ABEQVZQMQYXMJO-RPLLCQBOSA-N 448.526 5.657 30 20 IKED N#Cc1ccccc1Oc1ccc(-c2nc(-c3ccc(-n4ccnc4)nc3)no2)cc1Cl 761489380 OBBBAJAWWMTXEL-UHFFFAOYSA-N 440.850 5.302 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnc(Cc3ccccc3F)s2)cc1 773977142 MGORIWJBJQBVJK-HNAYVOBHSA-N 435.524 5.348 30 20 IKED Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(N[C@@H](C)c3ccc(C#N)c(F)c3)cc2Cl)n1 777654113 ZHVVEOBFWKZRCL-HOTGVXAUSA-N 439.922 5.537 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSC1CCN(C(=O)OC(C)(C)C)CC1 778774765 GDFYDKOYPIWPLT-INIZCTEOSA-N 449.642 5.152 30 20 IKED Cn1nc(C(F)(F)F)c(CN[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1Cl 782505096 XALBUSRKIUHNHN-JTQLQIEISA-N 439.709 5.504 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2c(Cl)ccc(Cl)c2Cl)n1 782524358 KUBXRKFPNYBCMK-UHFFFAOYSA-N 426.090 5.610 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3F)ccc21 787352381 KFOQIGTVSVLXIP-UHFFFAOYSA-N 445.469 5.467 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F 789889229 LCOWZNJVZMWSBE-JOCHJYFZSA-N 448.510 5.927 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=S)NCCCCC(F)(F)F 794976869 LXKDKKJUQNIXJZ-UHFFFAOYSA-N 427.305 5.183 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc3ccc(Br)cc23)cc1 796637307 VFVCOFCCIRGEDX-SFHVURJKSA-N 441.350 5.116 30 20 IKED CC(C)(C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1Br 798817286 WXSIWUDDONPLNP-LBPRGKRZSA-N 432.268 5.348 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3(C)CCN(Cc4ccccc4)CC3)n2)cc1 805855272 JTPJVDUQNVGEMN-JOCHJYFZSA-N 429.589 5.597 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)c3nc(Br)sc3C3CC3)n2)c1 807138436 BRZKCEFNDGLBLZ-UHFFFAOYSA-N 431.340 5.030 30 20 IKED Cc1ccc(N2C(=O)CC[C@@H](C(=O)N(C)Cc3cccc(C#N)c3)[C@H]2c2cccs2)cc1 914490789 JMSHBOFAQGCGQW-RDGATRHJSA-N 443.572 5.071 30 20 IKED COC(=O)c1sc2ncc(C(=O)/C=C\c3ccccc3OCc3ccccn3)cc2c1C 914773696 RKUYBOHGSRJOHD-KHPPLWFESA-N 444.512 5.261 30 20 IKED COC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 915101431 BBCOGRFNXSEBDO-HNNXBMFYSA-N 446.315 5.785 30 20 IKED N#C[C@H](C(=O)CCc1nc(-c2cccs2)no1)c1nc2cc(C(F)(F)F)ccc2s1 915104103 KOURORNQOLMBJP-LLVKDONJSA-N 448.451 5.236 30 20 IKED CCN(CC)Cc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915351827 HAYSJEVEVUSLOU-SANMLTNESA-N 426.564 5.506 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2nn(-c3ccc(C)cc3)c3c2CCC3)cc1 916949079 LMSONLRPNYRDHV-MBSDFSHPSA-N 440.547 5.144 30 20 IKED CCc1ccccc1N1C[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1=O 916975674 DFGCXOWOZVSXRC-PKOBYXMFSA-N 449.963 5.255 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@H]2c2ccccc2Cl)c1=S 917484146 XOXGNSGBDVNQSP-FQEVSTJZSA-N 441.000 5.724 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)/C=C/c2ccc(Br)o2)cc1 917804205 MAEZBOWQLQUROG-ZRDIBKRKSA-N 437.293 5.339 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4cccc(Cl)c4)CCOCC3)n2)cc1 920109504 HCQUJRSTMOTKJN-HXUWFJFHSA-N 436.964 5.697 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnn(C(C)(C)C)c3Cl)CCC2)cc1 1791243373 MFTGNXCVGVOZEW-MRXNPFEDSA-N 442.991 5.251 30 20 IKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)C4=CCCC4)CCC3)cc2)cc1C#N 1792168401 WLUYWLTZCBXPFF-UHFFFAOYSA-N 443.547 5.203 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3nscc23)[nH]n1 1814828905 XKTMZGCQOLIRKS-NRFANRHFSA-N 449.580 5.094 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)n[nH]1 1816202479 BXXCXWUVDWJICW-AOMKIAJQSA-N 449.530 5.062 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCC(F)(F)CC2)CC1 1824326424 OBWDVSCALWETND-OAQYLSRUSA-N 438.603 5.424 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2scnc2C2CC2)CC1 1825646039 ZTAOBHPUGIGZPB-FQEVSTJZSA-N 443.657 5.246 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccccc2Cl)CC1 1826570794 OORNCHSWLVONKW-AUSIDOKSSA-N 431.020 5.105 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccccc3n2C)CC1 1827994806 JOBQUOIKODCRLI-XMMPIXPASA-N 449.639 5.404 30 20 IKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)CC1 1831859215 IGIJBUIOHPSEDU-SANMLTNESA-N 430.592 5.471 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N[C@H](C)c2ccc3ccccc3c2)n1 10399428 WTEUFWZMJRUXFZ-CQSZACIVSA-N 429.467 5.403 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(C)c(C)c2)cc1 11161083 AXRIWSGKEFSULL-UHFFFAOYSA-O 439.551 5.873 30 20 IKED COc1ccc(NC(=O)[C@@H](OC(=O)CCc2ccc(C#N)cc2)c2ccccc2)cc1Cl 12954394 VPFFLGLPZGXXTQ-DEOSSOPVSA-N 448.906 5.076 30 20 IKED Cn1ccnc1[C@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(F)c1 18236005 UGIUUAFALGOSPJ-MRXNPFEDSA-N 445.338 5.116 30 20 IKED C=CCN(C(=O)c1cc(C)nc2c1cnn2Cc1cccs1)c1nc2c(s1)CCCC2 29567540 WTDKMPSLJLMNDU-UHFFFAOYSA-N 449.605 5.018 30 20 IKED COc1ccc(-c2csc(NC(=O)c3ccc(COc4ccccc4C#N)o3)n2)cc1F 59368000 ZXKRDIHZEGHVHP-UHFFFAOYSA-N 449.463 5.254 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3ccnc(OCc4ccccc4)c3)c2)c1 60976354 FQXKTUQNLWCUCN-UHFFFAOYSA-N 435.527 5.401 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccccc1)c1ccc(OCC)cc1 63402544 UXUIBFFGIAFGBZ-RUZDIDTESA-N 445.519 5.481 30 20 IKED N#CC1(C(=O)Nc2ncc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)s2)CCCC1 247654406 OMVUMSNTWBPCCU-UHFFFAOYSA-N 447.404 5.794 30 20 IKED CCOc1c(Br)cc(Cl)cc1NC(=O)CSc1ccc(C#N)cc1 261384071 DYXXLUIUNCPJRM-UHFFFAOYSA-N 425.735 5.104 30 20 IKED Cc1ccc(Cn2nc(C)c(CCC(=O)Nc3ccccc3SC[C@H](C)C#N)c2C)cc1 303250894 BZRGRIVICLVCAT-LJQANCHMSA-N 446.620 5.680 30 20 IKED COc1ccccc1-n1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1C 409572533 BPBXILHGHWVVED-UHFFFAOYSA-N 438.487 5.414 30 20 IKED N#Cc1ccccc1COc1cccc(CNC[C@H](CC(=O)O)c2ccc(Cl)cc2)c1 426707608 BAUMQZUMCZJBQI-QFIPXVFZSA-N 434.923 5.139 30 20 IKED Cc1nc([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cs1 429421939 GJWIHBLPGQXDIA-OAQYLSRUSA-N 436.512 5.410 30 20 IKED CC(C)(c1ccc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)cc1)C(F)(F)F 433870032 VMEFWUFVEHYVHP-INIZCTEOSA-N 425.248 5.284 30 20 IKED N#Cc1cccc(C2(C(=O)NCc3csc(-c4ccc(C(F)(F)F)cc4)n3)CC2)c1 435583335 GDKFZSRXAXUNOX-UHFFFAOYSA-N 427.451 5.049 30 20 IKED C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 439443498 SVUGFVPUSLGXQR-OJWCNPDFSA-N 437.515 5.283 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1ccc(C(F)(F)F)cc1 442214327 MNAZKFSJUGCJQF-DYVFJYSZSA-N 433.430 5.254 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl 442273207 PKWAQKWIBZSKHV-UHFFFAOYSA-N 428.319 5.149 30 20 IKED CCn1c([C@@H]2CCCN2C(=O)c2cn(CCCC#N)c3ccccc23)nc2ccccc21 444140266 KVOWIPACESTRDT-DEOSSOPVSA-N 425.536 5.292 30 20 IKED CC(C)N(Cc1ccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cc1)C[C@@H]1CCCCO1 444284177 DPBKXSRAFWYLHI-VWLOTQADSA-N 431.580 5.008 30 20 IKED C[C@@]1(c2ccccc2)CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 446828073 YANLDILGYFNOHP-HHHXNRCGSA-N 425.532 5.527 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC(c2cccc(Cl)c2Cl)CC1 462780664 PYYJDKPKWPGGQE-UHFFFAOYSA-N 433.383 5.059 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(F)cc(C(F)(F)F)cc1F 463395554 RBUJUKRWPGFOTC-UHFFFAOYSA-N 433.336 5.603 30 20 IKED CC[C@@H](C)N(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccc(C(N)=O)cc1 463604253 HLASPGUURJTHRY-MRXNPFEDSA-N 447.922 5.548 30 20 IKED CC(=O)c1cc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)n(C)c1 464297989 QUXVHECIMHTWPG-UHFFFAOYSA-N 427.382 5.163 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)sc2nc(C(F)(F)F)ccc12 464464314 HAIJFVSJZVIHDD-NSHDSACASA-N 429.345 5.527 30 20 IKED CC(C)(C)Cc1nc(-c2cccc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c2)no1 464940908 MMEPQZYDVDNTTJ-FCHUYYIVSA-N 428.536 5.237 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1cccc(F)c1)C1CCCC1 465412781 CNWXYJVJSYNHDO-AOMKIAJQSA-N 439.556 5.064 30 20 IKED CN(CC(F)(F)F)C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 466391111 FXYVNFPBIDGGBB-UHFFFAOYSA-N 437.315 5.123 30 20 IKED COc1cc2c(cc1NC(=O)N[C@H](C)c1ccc(-c3cccc(C#N)c3)cc1)NC(=O)CC2 467285136 YOAOXTWXNIJTPK-MRXNPFEDSA-N 440.503 5.001 30 20 IKED N#CCCCn1cc(C(=O)N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)c2ccccc21 469585032 NCQGEWJHMZTXEO-OZXSUGGESA-N 440.591 5.072 30 20 IKED COc1cc(Br)ccc1[C@H](C)NC(=O)Nc1ccccc1SC[C@H](C)C#N 470364215 SCTTXQHDZDWZIM-KGLIPLIRSA-N 448.386 5.592 30 20 IKED COc1cc(C)ccc1Oc1ccc(F)cc1NCc1nnc(-c2cccc(C#N)c2)o1 471624246 GLWSQNRXURGOCV-UHFFFAOYSA-N 430.439 5.469 30 20 IKED C=CCN(C(=O)Nc1c(CCC)cccc1C(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 471908943 GVRZCSDSSGCSCC-IBGZPJMESA-N 432.572 5.519 30 20 IKED C[C@H](Nc1ccc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cc1Cl)c1ccccc1 472026923 JYUCCSUFPQMZKU-LAUBAEHRSA-N 428.923 5.706 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 472326178 KRKPVJVPFANAKE-MMACOIQUSA-N 446.979 5.440 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 473822482 ONJJEVQQBDZJIQ-KSFYIVLOSA-N 436.968 6.040 30 20 IKED N#Cc1cccc(OCCCSCC(=O)Nc2c(Cl)cccc2C(F)(F)F)c1 477365876 LYSSHCZGGJYUMC-UHFFFAOYSA-N 428.863 5.371 30 20 IKED CN1CCC[C@H](CNC(=O)c2c(F)c(F)cc(F)c2F)[C@@H]1c1ccc(C(F)(F)F)cc1 480854739 FEIPFGKFPGTOJW-BLVKFPJESA-N 448.382 5.075 30 20 IKED N#Cc1ccc(CN(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)C2CC2)cc1 482317945 YFIVXYWBHOZNOP-SFHVURJKSA-N 441.375 5.555 30 20 IKED COc1ccc([C@@H](Cc2ccccc2C)NC(=O)CSc2ccc(C#N)cc2)cc1OC 483622732 XRKMMTFPFYENNK-HSZRJFAPSA-N 446.572 5.076 30 20 IKED N#C[C@]1(NC(=O)c2sc3ccccc3c2CSc2ccccc2Cl)CCOC1 484301263 GQBBKAPNZPNEFH-OAQYLSRUSA-N 428.966 5.259 30 20 IKED CC(C)(CCC#N)CNC(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1F 484820336 CBBFARPOJNZBTO-LJQANCHMSA-N 432.337 5.307 30 20 IKED Cc1cccc(CN(Cc2ccccn2)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1 486213238 FZTLQXYJZJWXNA-UHFFFAOYSA-N 434.499 5.292 30 20 IKED Cn1c(=O)ccc2ccc(NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cc21 488388425 JUGYJDJLRNIAHY-OAQYLSRUSA-N 442.906 5.491 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1cccs1 489459514 GIYXFBZUUWYOLN-LBPRGKRZSA-N 440.510 5.004 30 20 IKED N#Cc1cc(NC(=O)C2(OCc3ccccc3)CCOCC2)ccc1Oc1ccccc1 493978820 UUZDFAXCOIOLMT-UHFFFAOYSA-N 428.488 5.055 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(OCc2cccnc2)c(OCC)c1 497471330 MENKZZIPMVCNSZ-UHFFFAOYSA-N 442.968 5.603 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)c1 502591623 ASAKJEZAMABBHU-UHFFFAOYSA-N 446.482 5.082 30 20 IKED CC(C)(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1Cl 504422497 AIBKQUZTKHVLQZ-UHFFFAOYSA-N 428.970 5.272 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1 505302761 YWHYXEQYMPGQPV-GOSISDBHSA-N 426.259 5.032 30 20 IKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)N[C@@H](C)c1ccc(C#N)cc1)CC2 505332144 BUSUQTCVCKCCDL-UPCLLVRISA-N 447.560 5.055 30 20 IKED O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cc(O)nc2cc(F)ccc12 505372628 LVBWXERGXQOSHJ-MRXNPFEDSA-N 432.295 5.132 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCCc2nc3ccccc3[nH]2)cc1 505626449 SIHMGNWBSTUWFW-UHFFFAOYSA-N 426.476 5.197 30 20 IKED COCc1nc(CNC(=O)c2ccccc2-c2ccccc2C#N)c(-c2ccccc2)s1 508370574 WCJYIEHHSQFWBN-UHFFFAOYSA-N 439.540 5.425 30 20 IKED C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1ccccc1-c1ccccc1 508809381 LLPMDDKWOWBYHM-UHFFFAOYSA-N 448.530 5.083 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC 510630741 PYYYAACAUBZRDJ-QGZVFWFLSA-N 431.492 5.641 30 20 IKED COc1ccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC(F)F 510674642 KJUMTZIXXWZMPF-UHFFFAOYSA-N 439.418 5.282 30 20 IKED COc1ccc(OC)c(CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C2CC2)c1 510681239 MACYBPAHHWMSIN-UHFFFAOYSA-N 443.503 5.564 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2csc(-c3ccc(CC)cc3)n2)cc1 511748920 WQLJEUAOALXSPV-UHFFFAOYSA-N 445.588 5.368 30 20 IKED Cc1ccc([C@H](N[C@H](C)c2ccc(C#N)cc2F)c2cccc(S(C)(=O)=O)c2)c(C)c1 512665046 CYIHRMHVSLEVQF-IQGLISFBSA-N 436.552 5.158 30 20 IKED C[C@H](CNC(=O)[C@@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccccc1 517461058 MYZRRNBCJVXVCB-HZPDHXFCSA-N 435.515 5.431 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2ccccc2-c2n[nH]c(-c3ccccc3)n2)c1 517661188 OADAEAWAXSSVNQ-UHFFFAOYSA-N 437.503 5.198 30 20 IKED N#CCCCOc1cccc(NC(=O)[C@@H](Sc2ccc(F)cc2F)c2ccccc2)c1 517981167 PUGAPIASADUXIX-QHCPKHFHSA-N 438.499 6.119 30 20 IKED CC(C)[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc2c(c1)OCCO2 518684596 HHWZFKQUFYBCNO-ZHRRBRCNSA-N 425.554 5.228 30 20 IKED N#Cc1ccccc1COc1cccc(CN[C@@H](C(=O)Nc2ccccc2)c2ccccc2)c1 518772800 DPQYERDVDJGHIG-MUUNZHRXSA-N 447.538 5.607 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccc([S@](C)=O)cc1 533772616 WXXQCMUZBSNMBE-QLCIJSRNSA-N 437.496 5.110 30 20 IKED C=C[C@H](CC(=O)N1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1)c1ccccc1 533905749 CTDJHWIQKIIBFC-HXUWFJFHSA-N 430.514 5.488 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(-c2ccccn2)c1C 534361045 CKQDGDGSPQTVBC-UHFFFAOYSA-N 433.511 6.068 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCc3c([nH]c4ccccc34)C2)cc1 534778072 URRRFSZLVPYIDG-UHFFFAOYSA-N 438.487 5.431 30 20 IKED Cc1cn2c(CN(C)C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)c(C)nc2s1 536299607 SFSSZGOWSFPRGQ-UHFFFAOYSA-N 430.533 5.143 30 20 IKED CCN(C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1ccc(C#N)c(Cl)c1 538072530 GSTFFVIRJJCCAP-UHFFFAOYSA-N 435.833 5.024 30 20 IKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)Cn4ccnc4C)c3C#N)C(C)(C)C2)o1 538530993 ICICLXRGNDBHMU-SOFGYWHQSA-N 432.549 5.443 30 20 IKED COc1cccc([C@@H]2C[C@H](C)CN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1 543285654 QQZFHDUHBPXOAA-AOMKIAJQSA-N 432.549 5.229 30 20 IKED C=CCN(C(=O)CN1CCC(CC#N)CC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 543810753 KXWWIBPWQKVTKJ-UHFFFAOYSA-N 449.407 5.262 30 20 IKED Cc1ccc(NC(=O)CSCC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 543858421 QAPSRAXRMNBWKD-LJQANCHMSA-N 443.572 5.083 30 20 IKED Cc1cc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)nn1[C@H](C)C1CC1 544263405 HSZCLPZRJMQQCU-GOSISDBHSA-N 431.515 5.408 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)c1 549099224 XOCCGHUUQLXAPY-UHFFFAOYSA-N 440.421 5.554 30 20 IKED CCc1nc2cc(CNC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)ccc2n1C1CC1 549278751 XLNOPULTZUASOH-UHFFFAOYSA-N 429.568 5.173 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 557719020 VGJPATKIGBRIEZ-MRXNPFEDSA-N 434.521 5.248 30 20 IKED COc1ccc(NC(=O)c2ccc(NCc3ccc(C#N)cc3C(F)(F)F)cc2)cc1 569297799 DMZULUDQXHJMBX-UHFFFAOYSA-N 425.410 5.450 30 20 IKED N#Cc1cc(Oc2ccc(N[C@H](c3ccccc3)c3nc(-c4ccccc4)no3)cc2)ccn1 573295492 ZVRADDJERAXEQX-RUZDIDTESA-N 445.482 5.997 30 20 IKED C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H]([C@@H]2CCOC2)C1 573546317 YIKDVEWDYBEOIW-ZWKOTPCHSA-N 433.021 5.053 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)CC2)c(F)c1 582622895 WGIIXSVGGCZITC-IAGOWNOFSA-N 433.310 5.178 30 20 IKED C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1)c1ccc(C#N)cc1 603510453 UXFURGSZJXVIEQ-GOSISDBHSA-N 447.498 5.102 30 20 IKED Cc1noc2nc(C(C)C)cc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)c12 603638912 GURJVXHJQXMVIC-UHFFFAOYSA-N 426.476 5.358 30 20 IKED CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 603830385 BSTKFWVHGHYOAB-NRFANRHFSA-N 439.943 5.193 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NC(c3ccccc3)c3ccccc3)cc2)cc1 604463810 HZSHRCTZVBFDKW-UHFFFAOYSA-N 447.494 5.195 30 20 IKED Cc1cc(F)ccc1-c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1F 605075228 VKFUYWDTDOBMIL-HXUWFJFHSA-N 431.467 5.949 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cnn(Cc4ccccc4Cl)c3)cc2)c1 609064678 CTWVIFYMOBCVJF-UHFFFAOYSA-N 442.906 5.288 30 20 IKED CCOc1c(Br)cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1OC 609377360 CQYFCXJXPXZDMV-CYBMUJFWSA-N 449.370 5.360 30 20 IKED COc1cc2ccccc2cc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609378393 JCRBRYACFKBHHH-UHFFFAOYSA-N 430.451 6.125 30 20 IKED CCCN(CCC)C(=O)CCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609459542 GIQDIUBOFSCOLW-NRFANRHFSA-N 425.960 5.363 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F 610174927 NLRLRBPGPDFVQE-UONOGXRCSA-N 426.410 5.732 30 20 IKED C[C@@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 612566657 UONZQLZELPGDMF-CQSZACIVSA-N 439.393 5.643 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 613392116 HMTJFUKCCNXWEB-QGZVFWFLSA-N 435.961 6.386 30 20 IKED N#C[C@H](C(=O)c1csc(Cc2ccccc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 613403122 BOLHUEIANWFVNC-CQSZACIVSA-N 443.475 5.852 30 20 IKED Cc1cnn(-c2ccc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2)c1 613404687 PNWRQSWLWREHEQ-INIZCTEOSA-N 426.423 5.299 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 615682563 DNUZDKXQIVJSBM-FICVDOATSA-N 426.376 5.433 30 20 IKED Cc1sc2nc(CCC(=O)Nc3cccc(C#Cc4cccs4)c3)nc(O)c2c1C 620065188 LLPSQWDBYHCHHW-UHFFFAOYSA-N 433.558 5.046 30 20 IKED N#C[C@@H](C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)c1cc(C(F)(F)F)ccn1 643778390 HPZQOUUCZIHNLM-CYBMUJFWSA-N 441.356 5.733 30 20 IKED N#C[C@H](C(=O)c1cccc(CN2CCCC2)c1)c1nc2cc(C(F)(F)F)ccc2s1 672581919 UDIHNZVKKOCIAD-QGZVFWFLSA-N 429.467 5.401 30 20 IKED C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(NC(=O)c2cccs2)c1 673732956 QLUAWFMOOLOZSY-UHFFFAOYSA-N 444.516 5.003 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1cccc(-c2ncco2)c1)c1ccc(C(F)(F)F)cc1 677213959 ZFFOOIQYSDCQBQ-IBGZPJMESA-N 443.425 5.123 30 20 IKED CC[C@H](C)n1ncc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1C1CC1 677710570 QIJYZKMNVOREFJ-FZMZJTMJSA-N 432.471 5.850 30 20 IKED C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H]1c1ccc(O)cc1 685557114 KEXRWXMUMFDMEQ-LJQANCHMSA-N 443.320 5.080 30 20 IKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc3c(c2)CCC3)[n+]2ccccc2)cc1Cl 726570665 HZKXELORYTXSFU-UHFFFAOYSA-O 432.956 5.311 30 20 IKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(C)n(C)c2C)cc1 726570755 KPBJMPBPKQEPKN-UHFFFAOYSA-O 437.976 5.086 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1 727589169 LPPSCWUBCZTYTF-ZJSXRUAMSA-N 433.458 5.226 30 20 IKED Fc1ccc(-c2nnc(S)n2N=Cc2cn(Cc3ccccc3)c3ccccc23)cc1 730548728 FSKYBRGPFNYQQN-UHFFFAOYSA-N 427.508 5.258 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccc(OC(F)(F)F)cc1 733080270 ILIJERRPXONQGE-UHFFFAOYSA-N 441.335 5.292 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OC 733634044 NGZAVZXEAKNCLR-FUHWJXTLSA-N 438.553 5.092 30 20 IKED C[C@@H]1CN(Cc2ccccn2)CCC1=NNc1ncnc2sc(-c3ccccc3)cc12 734361417 CSXXRLMPCUFXQJ-QGZVFWFLSA-N 428.565 5.063 30 20 IKED C=CC[C@H](NC(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12)c1ccncc1 734652098 FIYNXLJFWFFEFY-URXFXBBRSA-N 444.966 5.965 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C)c(Oc3ccncc3)c2)cc1 734706580 NASXGAGATASHOP-HXOBKFHXSA-N 427.504 5.657 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1Oc1ccncc1 734706594 NHVPXEJWLCLGQY-QGZVFWFLSA-N 440.286 5.450 30 20 IKED COc1cc(COC(=O)Cc2c[nH]c3cccc(C)c23)ccc1OCc1cccc(C#N)c1 735143166 ZTULMNZJDJXYCT-UHFFFAOYSA-N 440.499 5.222 30 20 IKED N#C[C@@H](C(=O)[C@H]1CSc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 735770533 SDUPDLJVAWEASI-GJZGRUSLSA-N 431.369 6.183 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)cc2)C[C@H](C)O1 740443990 KBYQINGEUUTDOJ-ROUUACIJSA-N 446.576 5.222 30 20 IKED CSc1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 741111543 RFACYRFTZMRQEK-ABAIWWIYSA-N 436.480 5.681 30 20 IKED Cc1nc(-c2cccc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c2)cs1 744033501 RYOPGKIVKBEQAM-QGZVFWFLSA-N 430.316 5.387 30 20 IKED C=CCC[C@H](NC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1)c1ccc(C(F)(F)F)cc1 750447946 XXFRFJVZCBVKHZ-HSALFYBXSA-N 436.474 5.603 30 20 IKED C=CC[C@@H](NC(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1)c1ccncc1 753637512 LYDPMHPOPMZQEV-SIKLNZKXSA-N 437.588 5.184 30 20 IKED N#Cc1ccc(NC(=S)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)cc1Cl 756808739 MPEYKZLYSICFMH-HXUWFJFHSA-N 427.982 5.206 30 20 IKED CCCCCCC[S@@](=O)Cc1coc(-c2ccc(I)cc2)n1 756862484 DAVOTUCRWQJQOX-JOCHJYFZSA-N 431.339 5.165 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 758607338 VTUKVTBFIZKNOT-KZNAEPCWSA-N 446.617 5.095 30 20 IKED C#CCNC(=S)/C(=C(/O)c1ccc(-c2ccccc2)cc1)[n+]1ccc(C(C)(C)C)cc1 759054816 PAFCBHYCTIIDOW-UHFFFAOYSA-O 427.593 5.373 30 20 IKED Cc1ccc(C(=O)Nc2ccc(F)cc2OCC#N)c(Sc2ccc(Cl)cc2)c1 759146261 MTJWJWWIKLPXQH-UHFFFAOYSA-N 426.900 6.093 30 20 IKED N#C[C@H]1C(CN2CC=C(c3ccccc3C(F)(F)F)CC2)=CC(=O)n2c1nc1ccccc12 763680318 GXYJXCFEYDZPCO-IBGZPJMESA-N 448.448 5.032 30 20 IKED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)/C=C\c1cc(C)n(C2CCCCC2)c1C 763768559 YQFPXAPIXRHVAW-BENRWUELSA-N 428.540 5.023 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN2CCC[C@H]2c2nc3ccccc3s2)c1=S 764849795 SUDINTAHMBXPPR-SFHVURJKSA-N 434.594 5.066 30 20 IKED C[C@H]1CCCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)[C@@H]1CNC(=O)OC(C)(C)C 775334790 AUMQPVKPNNUANG-YQVWRLOYSA-N 446.617 5.238 30 20 IKED N#C[C@H]1C(CN[C@@H](c2cccc(Cl)c2)C2CCCC2)=CC(=O)n2c1nc1ccccc12 775526830 LVKXDPDEFSXTES-GBXCKJPGSA-N 430.939 5.398 30 20 IKED C[C@H](NCc1ccccc1-c1ccc(CN2CCCC2)cc1)c1ccc(OCC#N)cc1 776154141 ORNWFOWVOITASP-QFIPXVFZSA-N 425.576 5.703 30 20 IKED C[C@@H]1CN(c2ccc(N[C@H](C)c3ccc(OCC#N)cc3)cc2C(F)(F)F)C[C@@H](C)O1 777679085 CZZIBXMXIZIFAV-BRWVUGGUSA-N 433.474 5.394 30 20 IKED C=CCCN(OCc1ccccc1)C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl 782766325 BWHRCILVJUDNOW-UHFFFAOYSA-N 429.948 5.362 30 20 IKED CCN(CC)[C@H](C(=O)[C@@H](C#N)c1nccc2ccccc12)c1cccc(C(F)(F)F)c1 792106640 SIBSWWVZEMCJAS-UNMCSNQZSA-N 425.454 5.513 30 20 IKED CC(C)(C(=O)Nc1cccc(OCC#N)c1)c1csc(-c2c(Cl)cccc2Cl)n1 795300325 WMOXOAAONOCCQC-UHFFFAOYSA-N 446.359 5.936 30 20 IKED C[C@H](C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 798390934 YHHSTTSEDQLZMX-XDTLVQLUSA-N 435.330 5.835 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)Nc1ccc(C#N)c(Br)c1 808871450 MQVZAPGKLODPEI-UHFFFAOYSA-N 444.329 5.239 30 20 IKED N#C[C@H]1C(CN2CCCCC[C@H]2Cc2ccccc2Cl)=CC(=O)n2c1nc1ccccc12 815151051 JOCJFUZNGMMQNU-SFTDATJTSA-N 444.966 5.364 30 20 IKED CN(C)[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1Cl 915353421 SZBPPLOUHSUMST-LADGPHEKSA-N 432.955 5.420 30 20 IKED CCN(Cc1nc(O)c2ccccc2n1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915353634 PUCUOJMSBMBBFC-QFIPXVFZSA-N 437.503 5.045 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12 916915517 DXXKPDSEYCMUNW-LJQANCHMSA-N 445.931 5.886 30 20 IKED Cc1cccc(-c2nc(CC(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cs2)c1 916927856 DCQHEDVOKODNOF-INIZCTEOSA-N 444.343 5.315 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2CCC[C@@H]2Cc2c(F)cccc2Cl)c1=S 917473206 JQDBPZKUOQJOQA-QGZVFWFLSA-N 443.979 5.119 30 20 IKED Cc1cc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc3c(c2)CCCC3)c(C)s1 917612187 LZQJLWCGTNPDMK-UHFFFAOYSA-O 446.621 5.726 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 920106601 UGEWNFOFPYYBRS-HNNXBMFYSA-N 438.327 5.719 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)/C=C\c2ccc(-c3ccc(F)cc3)s2)n1 920328385 YHMAWJGUPCFBPG-GQSKFBFOSA-N 426.494 5.077 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 1585609877 JWJTXSFOFYQKJS-QUCCMNQESA-N 443.547 5.226 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc(C)oc3C(F)(F)F)cc2)CCC1 1787399727 ZNHDITXEGGKWEE-UHFFFAOYSA-N 432.442 5.158 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4scnc4c3)cc2)CCC1 1789337995 LVVOZGAKGAACJF-UHFFFAOYSA-N 449.576 5.027 30 20 IKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@]3(F)Cl)CCC2)cc1 1789509852 OERGWMWFQUIXFE-CVDCTZTESA-N 449.042 5.096 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cncc4cnccc34)cc2)CCC1 1790011313 XPFQQOMNMUUGDJ-UHFFFAOYSA-N 442.563 5.370 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1)C2 1792573712 QXANLRJNKANXGI-WIYBCGNWSA-N 429.004 5.074 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3ccccc3)c(F)c1)C2 1798335931 ZEIUHZVVSSAKRH-KIHHCIJBSA-N 446.566 5.513 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(F)c2Cl)n[nH]1 1821121498 ZFRJWUCTXRUPFZ-HNAYVOBHSA-N 444.938 5.277 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ccncc23)n[nH]1 1821416700 OJIODGVZPCXVMB-WMZHIEFXSA-N 443.551 5.032 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](C)c2cccs2)n[nH]1 1822706545 WUWQNYNOPPMSQI-ZHALLVOQSA-N 426.586 5.035 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnc(-c4ccccc4)s3)CC2)C1 1823702089 GJOCNHMPXNLUEH-QFIPXVFZSA-N 449.620 5.010 30 20 IKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1824248682 DVIOYEFZVXDLLQ-ZCYQVOJMSA-N 443.031 5.113 30 20 IKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827735907 SCGSEGJFRDFMGZ-OAQYLSRUSA-N 440.971 5.409 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccccc3o2)CC1 1828188159 JRMNRXZFFGBMPN-QHCPKHFHSA-N 434.580 5.435 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(C)CCCCC3)CC2)c1 1831796071 MZBPWFICMWQHHT-OFVILXPXSA-N 449.639 5.517 30 20 IKED Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)c1Cl 1832603872 WATHZTGMRCXHOA-HSZRJFAPSA-N 449.982 5.067 30 20 IKED CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)nnc1-c1ccc(Cl)cc1 9071644 OAWZZWJCTXVYKN-INIZCTEOSA-N 439.972 5.046 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(CO)c2)cc1 10173558 YFSTYORTKZYIFY-UHFFFAOYSA-O 433.597 5.203 30 20 IKED CCc1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2cccc(Cl)c2)cc1 10830274 CKOOEGCVHLAENW-UHFFFAOYSA-O 440.932 5.149 30 20 IKED N#Cc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2C(F)(F)F)c(F)c1 10851873 NISVVZVXQOZNKU-UHFFFAOYSA-N 448.441 5.107 30 20 IKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2cccc(C)c2)c(Cl)c1 11089540 CZFHNFSJZFTXER-UHFFFAOYSA-O 445.942 5.882 30 20 IKED Cc1[nH]c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)nc1Cc1ccccc1 14044966 WENUCFXUQNZFOM-UHFFFAOYSA-N 447.608 5.445 30 20 IKED C=CCn1c(S[C@H](C)C(=O)NC(C)(C)CC)nc2scc(-c3ccccc3)c2c1=O 23404494 ZWWVVUDDHOXWTH-OAHLLOKOSA-N 441.622 5.096 30 20 IKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2cccc(C)c2)c1C 28793385 LAFRGKNHPNQFSX-UHFFFAOYSA-O 448.612 5.604 30 20 IKED CCCOc1ccc(C(F)(F)F)cc1NC(=O)N(CCOC)Cc1ccc(C#N)cc1 58415126 APLWTLSNAPUYFD-UHFFFAOYSA-N 435.446 5.046 30 20 IKED C=CCOc1ccc(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1OC 59887893 NVSVQIVGDXHCRF-KRWDZBQOSA-N 448.494 5.142 30 20 IKED CCOc1cc(C#N)ccc1OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1 71858148 JQNGSDTXKIMXLF-UHFFFAOYSA-N 435.549 5.602 30 20 IKED C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 103323752 CBWRGPNURGKIKX-VOMLJKFNSA-N 445.592 5.036 30 20 IKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cnn1-c1ccccc1F 107875873 GVIQXRGYTIKZPX-FQEVSTJZSA-N 444.897 5.881 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 303024413 RVUVMCCUIWNZKE-IBGZPJMESA-N 429.520 5.538 30 20 IKED COc1ccc(N/C(N)=N/Cc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1Cl 303971087 DDIDQYGUFBGLRO-UHFFFAOYSA-N 445.954 5.187 30 20 IKED COc1ccc(CC[C@@H]2CCCCN2C(=O)Nc2ccc(C#N)cc2Cl)cc1OC 426161488 NTPZXVAQACWOHI-SFHVURJKSA-N 427.932 5.248 30 20 IKED N#CCCC[C@@H](NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1)c1ccccc1 431927226 RWELXKODPSBGKD-XMMPIXPASA-N 439.003 5.286 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c12 436345709 NIPVURZSUHVNGW-FYYLOGMGSA-N 443.595 5.530 30 20 IKED CCCCOC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 437769307 DEXUPKIRQOOWNZ-QFIPXVFZSA-N 425.960 5.808 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)c1ccccn1 438542127 ALKLEHBUPXXKPS-AWEZNQCLSA-N 426.398 5.647 30 20 IKED N#Cc1cccnc1OC1CCC(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC1 438625943 YUGLPYBUUGUBQV-IWAAJCSBSA-N 443.572 5.293 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 443116302 CCEWEAPHUPGYGC-LAUBAEHRSA-N 435.593 5.097 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H](Oc2ccccc2Cl)C1 443643656 SFZFRCBIIOEOMD-ROUUACIJSA-N 444.000 5.216 30 20 IKED N#Cc1ccc(CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(OC(F)F)c1 444741976 HZVXLRXEURQZOF-OAHLLOKOSA-N 438.318 5.962 30 20 IKED Cn1ncc(NC(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1C(F)(F)F 445031892 KVVMRVDOLJRCGZ-JTQLQIEISA-N 448.289 5.273 30 20 IKED CC(C)(C#N)CC(=O)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 447198145 FBWUQCORGUIUIS-AWEZNQCLSA-N 438.380 5.569 30 20 IKED Cn1ccnc1Sc1ccc(Cl)cc1NC(=O)c1cc(-c2cccc(C#N)c2)no1 448198933 AMZVPWDBSMPXPF-UHFFFAOYSA-N 435.896 5.004 30 20 IKED N#Cc1ccc(-c2nnc(N(Cc3ccco3)Cc3ccco3)n2Cc2cccs2)cc1 461479291 IVILEJMRSPKOPQ-UHFFFAOYSA-N 441.516 5.319 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(C(=O)[C@H](C)c3cccc(C#N)c3)C2)n1 462331080 IPEZSUHUNPJFAE-XLIONFOSSA-N 431.561 5.200 30 20 IKED C[C@@H](c1cccc(C#N)c1)c1nc(-c2ccccc2-c2ccc(CN3CCCC3=O)cc2)no1 462837413 ZZMVDJHSYQGXOU-IBGZPJMESA-N 448.526 5.549 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)cc1 463128070 PYGCRIRGIAFQBM-LADGPHEKSA-N 428.557 5.501 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@](CO)(Cc4ccccc4)C3)cc2)cc1 463516367 HFKQCSLBHJHJEO-MHZLTWQESA-N 441.531 5.200 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1 463566961 DJQGHESMSQDBCR-UHFFFAOYSA-N 427.476 5.275 30 20 IKED C=C(C)COc1cccc(NC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)c1 469241601 SEYSENPORUEDDS-UHFFFAOYSA-N 446.334 5.960 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1 469702612 RHLXOZIEBIWDBK-DENIHFKCSA-N 429.520 5.335 30 20 IKED N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 470718172 OXICVPWZLQBJBV-AWEZNQCLSA-N 427.316 5.310 30 20 IKED Cc1ccc([C@@H](NCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)c2ccccn2)cc1 471066026 LJQYBIUVWSNETG-AREMUKBSSA-N 441.579 5.113 30 20 IKED O=C1CCc2cc(C(=O)N[C@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)c(F)cc2N1 474257880 GVKJGRHLFAKXAE-MRXNPFEDSA-N 448.338 5.153 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)n1 474974480 WMVWRFIDRVBBFF-LBPRGKRZSA-N 434.395 5.089 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(Br)sc1Br 476149411 NJTVHFREZBMUHG-UHFFFAOYSA-N 443.204 6.377 30 20 IKED CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481713916 RTNNQMOGACKAPV-UHFFFAOYSA-N 443.931 6.045 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 482901542 SPIBQXGUZMCUSB-LSDHHAIUSA-N 432.952 5.131 30 20 IKED CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(Br)cc1F 483351318 NZJAUZYPKOPMDU-UHFFFAOYSA-N 425.257 5.529 30 20 IKED C=CCN(CCOC)C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 483856319 YLCXZVHADAABDJ-UHFFFAOYSA-N 436.434 5.016 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1ccnc(Oc2ccccc2Br)c1 494114746 CQVDRXXEDVOKCS-UHFFFAOYSA-N 441.285 5.177 30 20 IKED C=CCc1cc(CNC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)cc(OC)c1OC 497445316 WONIPFBPYIOAEF-PMACEKPBSA-N 448.588 5.408 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)cc1 499693383 LDZRKKDFUPIRPW-UHFFFAOYSA-N 448.470 5.194 30 20 IKED Cc1ccc(C(=O)CCC(=O)CCC(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)s1 499852026 YVFBDCKKVKCNBK-MRXNPFEDSA-N 437.348 5.057 30 20 IKED C/C=C\c1ccc(OCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(OC)c1 501468385 RMNUXAKNGIVQHP-HYXAFXHYSA-N 442.515 5.391 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CSc2ncnc3sc4c(c23)CCCC4)c1C 501553817 UMQXQNZSPAFHBK-UHFFFAOYSA-N 436.606 5.226 30 20 IKED C[C@H](CCNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1ccccc1 504735373 XPATUWIGOFZMML-LJQANCHMSA-N 443.572 5.213 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2cc(-c3nc4ccccc4s3)nc3ccccc23)n1 505293192 FNFHBYDSDSIBFG-MRXNPFEDSA-N 426.526 5.767 30 20 IKED COc1cc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)ccc1OCc1cscn1 505547904 WFUXJIGSMAHIKC-INIZCTEOSA-N 448.331 5.032 30 20 IKED Cc1cc(-c2noc(CN[C@@H](c3ccccc3C(F)(F)F)C(F)(F)F)n2)ccc1F 505900376 FFKDUKWMDDXQFV-INIZCTEOSA-N 433.327 5.596 30 20 IKED C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](n2ncc3ccccc32)C1 508735651 XAIVKBPLAIVYLO-UNMCSNQZSA-N 442.567 5.022 30 20 IKED CC(=O)Nc1cc(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)cc(C(F)(F)F)c1 509309170 CQXBNKYJFLTRAY-MRXNPFEDSA-N 436.327 5.226 30 20 IKED CN(Cc1ccc2ccccc2c1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509894873 CJXIZUBOKZJLOR-UHFFFAOYSA-N 435.527 6.149 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(OCc2ccccc2)CC1 510858885 GEPPQNIWWPPNJJ-UHFFFAOYSA-N 441.531 5.872 30 20 IKED C=CCN(CC=C)C(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1[C@H](C)c1ccccc1 515487679 NDSRINLXGVLLMD-WOJBJXKFSA-N 432.593 5.236 30 20 IKED Cc1ccc(C)n1-c1nc(CC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cs1 515627739 HTTLWGJFDYNYGZ-UHFFFAOYSA-N 444.585 5.431 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2ccc(Br)cc2)cc1 515649037 IBOOXXFNXKEHCC-UHFFFAOYSA-N 435.321 5.275 30 20 IKED CCc1ccc(N(C(=O)CSCc2ccc(C#N)cc2)c2nc3ccccc3s2)cc1 516090122 XLEWMOLECLAXPJ-UHFFFAOYSA-N 443.597 6.328 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 517456766 QGWINEKDIMKXRD-CQSZACIVSA-N 426.929 5.213 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Oc3cccnc3)cc2)cc1Cl 517974738 YXWQYDSUIGLGDV-DEOSSOPVSA-N 439.902 6.435 30 20 IKED Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1 518056916 SGTHGEDPZFUHKM-MGPUTAFESA-N 438.984 6.294 30 20 IKED COc1cc(C)c([C@H](C)NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1OC 518351326 XJCSBPHVLPUTQT-SFHVURJKSA-N 430.504 5.362 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3csc(Br)c3)c2)cc1 519196604 KCJACQJOJMOBEB-UHFFFAOYSA-N 428.311 5.496 30 20 IKED C=C(C)COc1cc(CN[C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)ccc1OC 520214673 RTROEUAQBNTLPI-INIZCTEOSA-N 426.557 6.072 30 20 IKED CCN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccc(Br)cn1 520326836 PCOSOXCNRLRXAR-UHFFFAOYSA-N 436.309 5.369 30 20 IKED N#Cc1ccccc1COc1cccc(CNCc2cccc(NC(=O)c3ccccn3)c2)c1 520946889 SFLSANLVUXIYAJ-UHFFFAOYSA-N 448.526 5.074 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)[C@H](C)c1c(F)cccc1F 521256057 RFISNWZPQFOHHN-MRXNPFEDSA-N 449.457 5.095 30 20 IKED C=CCN(CCc1ccccc1)C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 521679223 SHQYGRGDQIJGKH-UHFFFAOYSA-N 428.558 5.232 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 521808525 JFOUKZRKBMGWNA-QGZVFWFLSA-N 426.561 5.006 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(Cl)cc3C(=O)N3CCCC3)c2)cc1 523162079 FVKMELCAUCLFSH-UHFFFAOYSA-N 444.922 5.444 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)c2)cc1 524188625 QZFOLKJKOBCROV-HXUWFJFHSA-N 439.540 5.980 30 20 IKED Cc1cc(Br)c2oc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cc2c1 526108597 GWFRYOLFWMXQOO-GFCCVEGCSA-N 444.235 5.739 30 20 IKED Cc1nnc(-c2cccc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c2)o1 532343532 JYKYHYOJCULMDP-UHFFFAOYSA-N 432.427 5.322 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1cccs1)CC(F)(F)F 534129719 QDXNTTURPFVYEX-CQSZACIVSA-N 427.517 5.145 30 20 IKED COc1ccccc1[C@@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccn1 536328710 KFUZHSDKRJIQOD-UZUQRXQVSA-N 432.549 5.253 30 20 IKED C=CCCC[C@H](C)NC(=O)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 537188797 SKJZIAJMTIVBPS-YJBOKZPZSA-N 447.377 5.014 30 20 IKED COc1ccc([C@@H](NC2CCN(Cc3ccc(C#N)cc3)CC2)c2ccc(F)cc2)cc1 537307778 QZDAOWFSLAWQJI-MHZLTWQESA-N 429.539 5.050 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 538508261 FCFZLYBHBLUYGD-CHWSQXEVSA-N 444.373 6.304 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1ncc(Cl)cc1Cl 539626412 KDWUBEWBGMFPMH-GFCCVEGCSA-N 426.394 5.512 30 20 IKED Cn1cc(/C=C(\CC(=O)O)c2nc3cc(Cl)ccc3s2)c(-c2ccc(C#N)cc2)n1 539754512 ABSCVWIGSUWTKZ-OVCLIPMQSA-N 434.908 5.237 30 20 IKED COc1cc(CN[C@@H](C)c2ccc(OC(F)F)cc2)ccc1OCc1cccc(C#N)c1 540320204 GDOIOMGORZYKDS-KRWDZBQOSA-N 438.474 5.598 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 541093368 ALMODKNMEIPRNH-KXBFYZLASA-N 449.498 5.563 30 20 IKED COC(=O)[C@H](C)Sc1ccccc1C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 541109326 ITXGGIPUTHUHKC-MSOLQXFVSA-N 444.556 5.370 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N3Cc4ccccc4C[C@@H]3c3ccccc3)n2)c(F)c1 543886499 RJKWPALEPYJPFN-XMMPIXPASA-N 437.478 5.215 30 20 IKED COc1cc(C#N)ccc1NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 545297958 NIFQETUFFPJWDJ-UHFFFAOYSA-N 425.897 5.095 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC(c2cccc(F)c2F)CC1 555255281 BKXMNPPYBRYEAX-UHFFFAOYSA-N 438.522 5.233 30 20 IKED CCSc1cccc(Br)c1NC(=O)N1CCC(C#N)(c2ccccn2)CC1 558514162 AEOGWUXILLWYBD-UHFFFAOYSA-N 445.386 5.045 30 20 IKED COc1ccc([C@@H](NCc2cnc3ccc(C#N)cn23)c2ccc(C(F)(F)F)cc2)cc1 560260635 WATYQOHVUSQSCM-QHCPKHFHSA-N 436.437 5.113 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ncc(-c2ccccc2)o1 566650722 WPBXJEDXKUZRIV-MRXNPFEDSA-N 425.448 5.283 30 20 IKED N#CCC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1 577788249 ZNJFUVCLDFGNGZ-JOCHJYFZSA-N 433.895 5.232 30 20 IKED CSc1ccccc1NC(=O)CN(C)C(=O)c1ccccc1Sc1ccccc1C#N 598931351 FXVJARLWTXRKSN-UHFFFAOYSA-N 447.585 5.142 30 20 IKED N#CCc1ccc(NC(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 603650912 MZKVHKKJDQCILK-NRFANRHFSA-N 428.923 5.841 30 20 IKED CC(C)[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1nc2ccccc2[nH]1 603693448 VJUFJGSVHLEEJU-JOCHJYFZSA-N 426.480 5.141 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3occc3CSc3ccccc3)cn2)cc1 603765225 SRQUHFXJZNHCOZ-UHFFFAOYSA-N 427.485 5.883 30 20 IKED COc1ccc(-c2nnc(S[C@@H](C#N)Cc3ccccc3)n2-c2ccc(OC)cc2)cc1 604045306 NNNUACNIAZIDGP-HSZRJFAPSA-N 442.544 5.178 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 604506864 XCCJBYCXDGYPGF-QFIPXVFZSA-N 439.968 5.221 30 20 IKED CN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C1Cc2ccccc2C1 609079817 LFDBPNDOOKBVEZ-UHFFFAOYSA-N 431.923 5.422 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N1CC=C(c2cccc3ccccc23)CC1 609403947 MJJWJMRSHQJGNU-UHFFFAOYSA-N 441.556 5.100 30 20 IKED C[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccc(OCC(F)(F)F)cc1 609433167 ASTTZHSKULRQMU-SFHVURJKSA-N 440.465 5.929 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)c1 609725270 SYRUBAOUZYSIHV-CJFMBICVSA-N 446.934 5.902 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)N(C)S(=O)(=O)c3ccc(C#N)c(Cl)c3)s2)cc1 610087061 MUGVIMDQSNVLHL-HNNXBMFYSA-N 445.997 5.334 30 20 IKED Cc1cccc(NC2CCN(C(=O)c3cccc(COc4ccccc4C#N)c3)CC2)c1 610159359 WZTYVHAZNRKIRM-UHFFFAOYSA-N 425.532 5.162 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@H](CC3CC3)c3ccccc3)s2)cc1 610321831 WDQSMEFXTMODCJ-LJQANCHMSA-N 435.578 5.365 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 610632290 NHCNGWNGHZQELI-WOPDTQHZSA-N 425.398 5.143 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 619364779 PSHQFBYJGXUWTI-UHFFFAOYSA-N 429.948 5.809 30 20 IKED FC(F)(F)c1cnc2c(c1)[C@H](NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)CCC2 681740440 VRJPGZGFTSAUON-IQMDTDKHSA-N 434.346 5.977 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCc1ccc(Cl)c(Cl)c1 726319357 HHKPRPKBCCCZII-CYBMUJFWSA-N 439.726 5.244 30 20 IKED N#CCCCOc1cccc(/C=C2\SC(=S)N(CCSc3ccccc3)C2=O)c1 726802153 UYAPEDOEWBBFBX-SILNSSARSA-N 440.615 5.363 30 20 IKED CC[C@H](C)n1c(-c2ccccc2)nn(CN2CCCN(c3ccccc3C#N)CC2)c1=S 728708848 KCFYCEPEBWCFHS-FQEVSTJZSA-N 446.624 5.094 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 729578901 ANOZFZJEEORWLU-UHFFFAOYSA-N 446.551 5.466 30 20 IKED C=CCN1C(=O)N[C@H](c2ccc(F)c(C)c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 729661909 IICXHDMGVGJPKF-HXUWFJFHSA-N 447.432 5.318 30 20 IKED COc1cc(Cl)c(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1Cl 729835579 CWAGGNICNBCQPO-KRWDZBQOSA-N 447.343 5.458 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 730421859 QWJMIJVDGABPNQ-OAHLLOKOSA-N 442.878 5.271 30 20 IKED C=CCSc1ccccc1NC(=O)CN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 731484861 TYVUYTHMSKEGHB-QHCPKHFHSA-N 431.001 5.002 30 20 IKED C[C@H](Nc1ccc(OCc2ccccc2F)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 732919679 QDLQZENBNSOITL-HNNXBMFYSA-N 435.524 5.266 30 20 IKED C#CCN(C(=O)Nc1c(C)cc(C)cc1Cl)[C@@H]1CCOc2ccc(Br)cc21 733617964 OQEVEUAZCKAVRU-GOSISDBHSA-N 447.760 5.710 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccccc2)Cc2ccccc2C)c1 733852505 XWIUXMBWRIKQRE-RUZDIDTESA-N 427.548 5.588 30 20 IKED C=CCn1c(=S)n(CN2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c2ccccc21 734142440 XABLSYVELOSKLJ-UHFFFAOYSA-N 445.510 5.328 30 20 IKED COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3ccc(-c4ccncc4)cc3)c2)cc1 745989859 CYPMPWMRPQERGE-LHHJGKSTSA-N 434.495 5.906 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H](c2ccccc2)N2CCSCC2)cc1 746829466 KXWNNNWVEYWQNF-JWQCQUIFSA-N 427.573 5.071 30 20 IKED N#Cc1cccc(C(=O)CSC2=N/C(=C\c3ccccc3)C(=O)N2c2ccc(F)cc2)c1 747762516 DTRFHDNKFGNRFN-HMAPJEAMSA-N 441.487 5.057 30 20 IKED N#C[C@H](C(=O)[C@@H]1OCCc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 750316183 QWLSEGDJSVVWBZ-OXQOHEQNSA-N 429.328 5.607 30 20 IKED CCn1nc(C)c(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)c1C 750910355 RHAXGJAAURBXGZ-DHZHZOJOSA-N 428.945 5.210 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nc(C2CCCCC2)no1 752634670 ARKCXZGYCQOCJA-JTSKRJEESA-N 429.524 5.655 30 20 IKED CCOC(=O)Nc1ccc(N[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc1C#N 752799918 PHXRTEYXUFCCTM-QHCPKHFHSA-N 428.492 5.227 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCCc1cc(Cl)sc1Cl 756233461 KWBUENLRVGRHME-MRXNPFEDSA-N 437.392 5.850 30 20 IKED CC[C@@H]1CN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC[C@@H]1NC(=O)OC(C)(C)C 757882931 PNPBDJODJQLZLT-KSZLIROESA-N 446.617 5.095 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2cc(C)ccc2F)cs1 759664774 NCDFRNHWWOYMJH-UHFFFAOYSA-N 436.434 5.740 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12 760783460 ATOSXMLKWSDOEE-UHFFFAOYSA-N 431.442 5.587 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(-c2nc(-c3cccnc3-n3ccnc3)no2)c1 761717438 SYHXVWJUYPCKAT-UHFFFAOYSA-N 440.850 5.302 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)cc1 763004228 HCFBCJSLAMLPOV-INIZCTEOSA-N 439.468 5.020 30 20 IKED Cc1ccc(-c2nn(CN(CCC#N)Cc3cccnc3)c(=S)n2-c2ccccc2)cc1 764856468 JJEFGTZYYAISKL-UHFFFAOYSA-N 440.576 5.147 30 20 IKED C[C@@H](OC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)Nc1ccccc1C(F)(F)F 769547499 UUJKGWJPSSQKTL-OAHLLOKOSA-N 443.425 5.148 30 20 IKED CC(=NNc1nc(O)c2cnn(C(C)(C)C)c2n1)c1ccc2c(c1)Nc1ccccc1S2 769808008 ZWUWNERNIYCXOY-UHFFFAOYSA-N 445.552 5.331 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1coc2c(C)cc(Br)cc12 770842034 GFLPWBJCQKIDEC-MRXNPFEDSA-N 435.277 5.499 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2sc(-c3ccccc3C)nc2C)ccc1OC 773818940 AGGUKJIMEOISAI-SFHVURJKSA-N 435.549 5.047 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@@H]2c3cc(Br)ccc3SC[C@@H]2C)c1 775406976 BEWIUIMXCWLGCQ-OXTHUFEASA-N 431.399 5.703 30 20 IKED O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cc2c(cc1F)NC(=O)CC2 778000112 TWFRTSBRLVMMPI-HNQUOIGGSA-N 446.322 5.400 30 20 IKED N#Cc1ccc([C@@H](O)C(=O)Nc2ccc(Oc3ccnc4cc(Cl)ccc34)c(F)c2)cc1 780926374 BGRYKWDJIRRYNJ-HSZRJFAPSA-N 447.853 5.363 30 20 IKED CC[C@@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccccc1 787046071 MTCQIKSLIGHJBZ-DLBZAZTESA-N 429.501 5.146 30 20 IKED CC(C)(C)n1cc(/C=C2\CCc3nc(-c4ccccc4Br)sc3C2=O)nn1 790218716 CNDODIOVBQWLNN-ZRDIBKRKSA-N 443.370 5.132 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2Cc3cc(Br)ccc3O2)cc1 791508620 DVIQQHPLJCFPPZ-IFMALSPDSA-N 433.305 5.047 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C1 809891295 PMQRNBSXVISUSW-IQGLISFBSA-N 429.605 5.553 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CCN(c2ccccc2F)C1)c1nc(-c2ccc(Cl)cc2)cs1 810533486 ZOFSDTVYRNUECR-WBVHZDCISA-N 425.916 5.305 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)N[C@H](CCCC#N)c3ccccc3)ccc21 814632969 DFVWACKZIBUCFU-JOCHJYFZSA-N 448.567 5.931 30 20 IKED Cc1cc([C@@H](C#N)C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)nc(C)n1 915105898 JNSPYJPENVNCEZ-GOSISDBHSA-N 430.558 5.486 30 20 IKED O=C(COc1ccc(C(=O)/C=C\c2csc(-c3ccccn3)n2)cc1)Nc1ccccc1 915984114 IVDQUHVWBLYNCL-KAMYIIQDSA-N 441.512 5.119 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=S)Nc2ccc(Oc3ccccc3)cc2)cc1 916012247 IJXYGAWFCNKULX-UHFFFAOYSA-N 441.478 6.112 30 20 IKED CC(=O)N(c1nc(C=NNc2ncc(Cl)cc2Cl)cs1)c1ccc(F)cc1F 916316770 MAHMJQPDPWDOEY-UHFFFAOYSA-N 442.278 5.254 30 20 IKED C=CCOc1ccc(C(=O)Nc2cccc(N(C)C(=O)c3ccc(OCC=C)cc3)c2)cc1 917698606 UQVMXWNCIRVMCN-UHFFFAOYSA-N 442.515 5.345 30 20 IKED Cc1c(C(=O)O)oc2c1C(=O)/C(=C\c1csc(-c3cccc(Br)c3)n1)CC2 920069109 UAPUFZPNCZEFJM-FLIBITNWSA-N 444.306 5.385 30 20 IKED O=S(=O)(Nc1ccc(SC(F)F)cc1)c1cccc(N=Cc2ccccc2O)c1 920942495 GOWMGMQBPYUARV-UHFFFAOYSA-N 434.489 5.258 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl 921131142 GZTWPWOHAMWNJN-SNVBAGLBSA-N 436.345 5.448 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc(OC)ccc3Cl)CCC2)cc1 1786679841 XXPFCFDQPBAREA-UHFFFAOYSA-N 444.984 5.016 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc(C(C)(C)C)oc3C)cc2)CCC1 1787389735 IGQVXCQAUXSKLV-UHFFFAOYSA-N 440.609 5.552 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Nc3cccnc3)CCC2)cc1 1789626088 JJYJHFFEJWZXIC-IBGZPJMESA-N 434.584 5.009 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ncccc23)[nH]n1 1819305243 FRJRDCUNJNXUPV-MBSDFSHPSA-N 443.551 5.032 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2C)CC1 1823926032 LRVDQNVCWKVVMK-ZJSXRUAMSA-N 426.576 5.136 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C(F)(F)F)CCC2)CC1 1824140994 PNNPBRWHJXAQBZ-FQEVSTJZSA-N 440.550 5.107 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(OC)c2C)CC1 1824145175 CTMFRGHWVODIAH-XMMPIXPASA-N 438.612 5.005 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)cccc2F)CC1 1828831131 ZWGQEPCZNQCOMZ-JTHBVZDNSA-N 426.576 5.136 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3nc(C)sc23)CC1 1831371625 XIIGRMYNUYHIFC-VGOFRKELSA-N 439.625 5.050 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3CC4(CCC4)C3)CC2)c1 1832635953 ZUQHZRVJPNHTIY-NLFFAJNJSA-N 447.623 5.127 30 20 IKED N#Cc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)c(Cl)c2)cc1 10134125 CSHNXFMZKISRSV-UHFFFAOYSA-N 438.343 5.800 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(N(C)C)cc2)c(C)c1 10168887 RCOOGROVSIXAAK-UHFFFAOYSA-O 444.624 5.197 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Br)c2)nnc1-c1ccccc1 16823196 DAFJDJVIHCETHH-AWEZNQCLSA-N 443.370 5.013 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)nnc1-c1cccc(C)c1 22212563 NMVLNXAFOQDOFM-HNNXBMFYSA-N 442.972 5.221 30 20 IKED COc1cccc(NCc2nnc(SCc3cccc(C#N)c3)n2C2CCCCC2)c1 22719505 AIQOAXXVVNWDRE-UHFFFAOYSA-N 433.581 5.568 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4[nH]3)cc12 60477091 SWBFTGABFXMFDY-INIZCTEOSA-N 431.908 5.415 30 20 IKED Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)[nH]c2c1 61751139 QHCZGPSRPVRHOG-GOSISDBHSA-N 443.429 5.053 30 20 IKED CN(Cc1csc(Br)c1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 63163218 DZFDYFJOZYIQFF-UHFFFAOYSA-N 442.338 5.838 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C 64456040 UCKSTDVHLNPYQU-UHFFFAOYSA-N 425.492 5.120 30 20 IKED Cc1sc2nc([C@@H](C)Nc3ccc(OCc4cccc(C#N)c4)cc3)[nH]c(=O)c2c1C 97543274 AEOJXDCTYWNIAZ-OAHLLOKOSA-N 430.533 5.225 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1 115802739 GEVIWVGHDVZBQW-UHFFFAOYSA-N 449.507 5.079 30 20 IKED C[C@H](OC(=O)/C=C\c1ccc2ccccc2n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 213736640 IPNUVCYZJPCZHG-FIPLFPIMSA-N 445.544 5.020 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(OCc2ccccc2)CC1 302893567 JPPWSIUGLUWMSV-UHFFFAOYSA-N 428.557 5.531 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1csc(-c2ccoc2)n1 303754379 GDLYQLISINVPLG-UHFFFAOYSA-N 429.501 5.343 30 20 IKED C=CCSc1ccccc1NC(=O)CN(C)[C@H](c1ccc(Cl)cc1)c1cnccn1 426857305 HAXDUNAYRPFKEC-HSZRJFAPSA-N 438.984 5.068 30 20 IKED COc1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)cc1OCc1ccc2ccccc2n1 435006411 ZFVCDYCXOJMQPS-UHFFFAOYSA-N 449.510 5.364 30 20 IKED CCCCc1oc2ccccc2c1CN(C)Cc1cn(CCC#N)nc1-c1ccncc1 435136271 ZYEGIDJFGUTDRJ-UHFFFAOYSA-N 427.552 5.580 30 20 IKED CC(=O)c1ccc(SCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1F 437458159 CRLPXRWMIVJQTP-UHFFFAOYSA-N 438.455 5.562 30 20 IKED C=C(C)CN1CCC(NC(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)CC1 438393267 OCPJZXKSIWCTIY-UHFFFAOYSA-N 437.478 5.225 30 20 IKED COc1ccccc1Oc1ccc(N[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)cc1 439546669 FUKFEEKKRKAJQZ-LJQANCHMSA-N 445.519 5.243 30 20 IKED CCCc1c(NC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cnn1-c1cccc(C#N)c1 439663500 GBEYFMQPAFHMOZ-UHFFFAOYSA-N 435.438 5.154 30 20 IKED CCCc1c(NC(=O)C[C@@H](C)C(=O)c2ccc(Cl)cc2)cnn1-c1cccc(C#N)c1 440099852 QNMATHAUCWWKRW-MRXNPFEDSA-N 434.927 5.197 30 20 IKED CN(C(=O)c1ccc(NC(=O)NCC2CCC(C#N)CC2)cc1Cl)C1CCCCC1 440915457 PQIYTVYCQCEMRJ-UHFFFAOYSA-N 430.980 5.196 30 20 IKED CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 441230753 LUGQMWLFKJGFGZ-FPOVZHCZSA-N 437.609 5.198 30 20 IKED N#Cc1ccccc1Oc1ccc(N2C(=O)[C@@H](Cc3ccccc3)N(C3CC3)C2=O)cc1F 446153185 FYISTVNJPGBOSV-JOCHJYFZSA-N 441.462 5.032 30 20 IKED COc1cccc(O[C@H](C)CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 466194609 HYXXOSCFJASGHG-GOSISDBHSA-N 431.492 5.257 30 20 IKED N#C[C@H]1N(C(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)CCC[C@]12CCCCO2 468637390 FTEHADURQBTXQG-DENIHFKCSA-N 446.334 5.248 30 20 IKED Cc1ccc(C(=O)CC(C)(C)CC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 469948225 OFOSLTFSBIEYKO-UHFFFAOYSA-N 445.563 5.206 30 20 IKED Cc1ccc(-c2nc(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)cs2)c(C)c1 469951848 CIVXOVGSUUAIKJ-UHFFFAOYSA-N 444.560 5.262 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(N4CCCCC4)c4ncccc34)CC2)cc1 471398113 LOXAELHHIHJYDC-UHFFFAOYSA-N 437.547 5.418 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br 476089127 GOBYKVZYXYHCAF-UHFFFAOYSA-N 442.332 5.878 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)c3csc(-c4cccc5ccccc45)n3)CCO2)c1 478455173 ZBPJKBNLMMEWSF-QHCPKHFHSA-N 425.513 5.049 30 20 IKED CN(C(=O)c1cc(COc2c(Cl)cccc2Cl)on1)c1cc(Cl)ccc1C#N 479576992 VLHQWOKLMAIFSB-UHFFFAOYSA-N 436.682 5.362 30 20 IKED C=CCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1ccccn1 481388704 SGVYWAWMSCLANP-UHFFFAOYSA-N 439.629 5.112 30 20 IKED Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(C)C 483253326 OSEKKACTWRRLEY-DEOSSOPVSA-N 427.504 5.111 30 20 IKED C[C@H](Nc1ccc(C(=O)N[C@@H](CCCC#N)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 487537989 OMEBCJCSZKHPEN-AVRDEDQJSA-N 443.507 5.328 30 20 IKED C=CCOc1c(Br)cc(CNC(C)(C)c2ccccc2OC)cc1OCC 488571497 SSNNRMLVLCEWLA-UHFFFAOYSA-N 434.374 5.446 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 494067771 BRWZZAOSUNFFQM-SJORKVTESA-N 440.638 5.828 30 20 IKED N#Cc1ccc(CCC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)cc1 499229466 COEGJOAOBQSRGJ-UHFFFAOYSA-N 429.373 5.475 30 20 IKED C[C@H](Oc1ccc(F)cc1Br)C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 499807305 BQQDRYOBKWWEMI-LKFCYVNXSA-N 446.103 5.043 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2cccc(OCC(C)C)c2)cc1C 500949048 YQKBXMRZJORLKP-UHFFFAOYSA-N 430.552 5.045 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)N[C@H](C#N)c3ccc(Cl)cc3)c2)cc1 505828909 YZGXSLJATUHLNS-RUZDIDTESA-N 446.934 5.435 30 20 IKED N#C[C@@H](NC(=O)Cc1csc2nc(-c3ccccc3)cn12)c1cccc(C(F)(F)F)c1 505982144 PQWZYVPGJOAZHM-GOSISDBHSA-N 440.450 5.005 30 20 IKED N#C[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1cccc(C(F)(F)F)c1 505987568 SAVFDZHILMXXMD-CYBMUJFWSA-N 441.887 5.467 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 511084684 GCZIHUGEQQIEEL-UHFFFAOYSA-N 438.959 5.280 30 20 IKED N#Cc1ccc(CN2CCCN(C(=O)c3ccc(SCc4ccccc4)cc3)CC2)cc1 512223430 DAZSARDFGRCETH-UHFFFAOYSA-N 441.600 5.199 30 20 IKED Fc1ccc([C@@H](NCc2nccn2CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1 512672158 ITQUABQSKVYMMO-SFHVURJKSA-N 431.355 5.483 30 20 IKED Cn1c([C@H](C#N)C(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)nc2ccccc21 513691937 ICUNOKOKDUNTQZ-LJQANCHMSA-N 437.396 5.888 30 20 IKED Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)[C@H](C#N)c2nc3ccccc3o2)cc1 515597239 CQQYTOUMMYSSKR-FQEVSTJZSA-N 436.446 5.618 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3c(C)nn(-c4ccccc4)c3C)n2)cc1 516269922 DYOVXVAVPZUREZ-HXUWFJFHSA-N 428.517 5.111 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ccc(Cl)s2)n1)c1nc(-c2ccncc2)cs1 518642820 NFNBZNJFSAGYQT-LLVKDONJSA-N 428.951 5.534 30 20 IKED CCCC(=O)Nc1cccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1C 518654874 CROGQZYIUFSDRW-UHFFFAOYSA-N 427.504 5.437 30 20 IKED C=CC1CCN(C(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)CC1 518909715 AFCBHXHWWOQKJO-UHFFFAOYSA-N 427.342 5.048 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1csc(-c2ccc(Cl)cc2)n1 519876433 GXUFMYGANMBSGY-UHFFFAOYSA-N 427.913 5.129 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(CNC(=O)C4CCCC4)cc3)cc2)c1 521794361 PQMQLUOAQQMWGK-UHFFFAOYSA-N 439.515 5.409 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2coc(-c3cccs3)n2)cc1 522433741 FTKQBSGJMJQTOG-UHFFFAOYSA-N 446.507 5.326 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(SCc3cccnc3)cc2)c1 523955305 HOUVJWYGLBWIFN-UHFFFAOYSA-N 441.512 5.670 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1nc(-c2ccccc2)oc1C 524388617 OLEMTUKDCUYRHN-UHFFFAOYSA-N 437.499 5.590 30 20 IKED COc1ccc(CN[C@H](c2cccc(F)c2)c2cccc(Cl)c2)cc1OCCCC#N 532075188 OTJAWOBQKINKOY-VWLOTQADSA-N 438.930 6.049 30 20 IKED CC[C@@H](C)n1nc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1C 537211629 ORRQNGAJZNCHGK-MRXNPFEDSA-N 447.564 5.017 30 20 IKED COc1ccc(C(=O)Nc2ccc(C(=O)Nc3cc(C(C)(C)C)sc3C#N)s2)cc1 540273512 KOPZNXYXKAUCMP-UHFFFAOYSA-N 439.562 5.492 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)c1csc(-c2cccc3ccccc23)n1 541353908 NMFRPONVWRQSIP-UHFFFAOYSA-N 429.501 5.112 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](Cc1ccccc1)c1cccs1 541594118 QDMMWSWEBYXPOA-NQIIRXRSSA-N 435.618 5.654 30 20 IKED N#CCC1CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CC1 543830532 LQRUEAQJAZPTEX-UHFFFAOYSA-N 428.414 5.527 30 20 IKED COC(=O)c1coc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c1 543980439 FNKFTZHHFZGBBM-ZDUSSCGKSA-N 449.269 5.497 30 20 IKED N#Cc1ccc(NC(=O)c2c(Br)cccc2Br)cc1C(F)(F)F 544031507 KFIXRWMWDQRVNR-UHFFFAOYSA-N 448.036 5.354 30 20 IKED N#C[C@@H](C(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1)c1ccncn1 546152401 XBCRDXPJXKUDGF-JOCHJYFZSA-N 434.455 5.011 30 20 IKED C=CCn1c(S[C@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)nnc1-c1ccc(C)cc1 579498521 YIWPAKSFUKIWJZ-UTKZUKDTSA-N 436.556 5.033 30 20 IKED N#Cc1c[nH]c2c(F)c(F)c(F)cc2c1=N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 587165203 VZILBNZZEDCBDW-MYJAWHEDSA-N 441.297 5.267 30 20 IKED Cc1ccccc1NC(=O)[C@H]1CCc2ccccc2N1C(=O)c1cc(C#N)ccc1Cl 588909415 QLSVFXYXHQEJSV-HSZRJFAPSA-N 429.907 5.120 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1cccc(COc2ccc(CCC(C)=O)cc2)c1 589326601 OBSQOUAVUJTUCO-UHFFFAOYSA-N 442.515 5.310 30 20 IKED C[C@H](NC(=O)C(C)(C)c1csc(-c2c(F)cccc2Cl)n1)c1cccc(C#N)c1 589438000 NGXOYDQSVFORFF-ZDUSSCGKSA-N 427.932 5.629 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(C3CCC3)cn2)c1 590525641 XKNAKDTXNNTVCG-UHFFFAOYSA-N 442.544 5.204 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 603649464 URDSVOWEROQEOO-UHFFFAOYSA-N 441.354 5.032 30 20 IKED CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 608638132 MOUHPRCJHUTKLM-YQFWSFKMSA-N 442.419 5.602 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)cc1 608840690 DQAGGVOZEPLJJI-ZCYQVOJMSA-N 443.503 5.401 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc3c(c2)OCCCO3)cc1Cl 608994591 NPOJMEWSUFUBPU-OAQYLSRUSA-N 447.922 5.478 30 20 IKED Cc1nc(-c2ccc([C@H](C)NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cc2)cs1 609056392 PREDVUJCVHALKR-INIZCTEOSA-N 443.528 5.653 30 20 IKED CC(C)N(Cc1cccc(Br)c1)C(=O)Nc1cc(C#N)ccc1OC(F)F 609082447 KNSXCFSAFCTECB-UHFFFAOYSA-N 438.272 5.365 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(-c2ccc(F)cc2)no1 609388656 AAJQNDVOAILUSX-HNNXBMFYSA-N 441.553 5.604 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 609431901 YMODWGMMYZHXCO-WMZOPIPTSA-N 441.984 5.225 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC(C)(C)Cc1ccc(Br)cc1 609438175 FHPZFHTZRAKPTM-HNNXBMFYSA-N 446.414 5.986 30 20 IKED N#CCn1c(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)cc2ccccc21 609462126 WFBUMKPOPKVQCL-UHFFFAOYSA-N 449.514 5.007 30 20 IKED Cc1nc(-c2ccccc2)c(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)s1 609644116 XLDFZWVBXQJYRV-UHFFFAOYSA-N 425.513 5.822 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 609682113 ASJLHMAPGDBYGA-NVXWUHKLSA-N 448.514 5.358 30 20 IKED COC[C@H](NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C)c1cccc(C(F)(F)F)c1 609828709 QURUZHNYIANGLP-NRFANRHFSA-N 433.474 5.132 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)NC[C@H]3CCCN(Cc4cccs4)C3)c2)cc1 609987829 HLVDHJFTJADVTC-HXUWFJFHSA-N 430.577 5.005 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1 610175080 XOQZCGMTXXUGIV-MRXNPFEDSA-N 434.565 5.972 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3c(F)cc(Br)cc3F)cn2)cc1 610666036 COFZMTJDRGOOJG-UHFFFAOYSA-N 430.208 5.039 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccn([C@H](C)c3ccccc3)n2)cc1C 610746041 NQWWBQYKURYBFB-HXUWFJFHSA-N 438.535 5.139 30 20 IKED N#Cc1ccc(CNC(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)c(F)c1 611051278 BWQJJENOJMBUIR-UHFFFAOYSA-N 447.857 5.408 30 20 IKED CC(C)(C#N)CNC(=O)c1ccccc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 611691908 ACWBVRZFWWTUIL-UHFFFAOYSA-N 436.364 5.004 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCc1ccc(C#N)cc1Br 612512899 AQUWQRRFGZEARD-LBPRGKRZSA-N 430.346 5.743 30 20 IKED COc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1OC(F)F 613320468 ZIBLEPSWCXEJIH-AWEZNQCLSA-N 434.851 5.564 30 20 IKED N#CCn1c(C(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc2ccccc21 616172790 RDOPQUGHGQMGRW-JOCHJYFZSA-N 427.483 5.061 30 20 IKED COC(=O)c1ccccc1-c1ccccc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 618561408 FQRABRDQQNYUDW-LJQANCHMSA-N 445.425 5.375 30 20 IKED N#Cc1ccc(N2CCC(NC(=O)Nc3cc(-c4ccccc4)ccc3Cl)CC2)nc1 619345604 VSXZFSNNOQYGMC-UHFFFAOYSA-N 431.927 5.064 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)CSc2cccc3cccc(Cl)c23)cc1 626584132 GHUCGUOHYARLOK-UHFFFAOYSA-N 425.941 5.532 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C\c3csc(-c4ccccn4)n3)SC2=S)cc1Cl 726626621 IRGKBNOOGGUPCX-FRKPEAEDSA-N 440.962 5.136 30 20 IKED C#Cc1cccc(N2C(=O)/C(=C\c3ccc(OCC(F)(F)F)c(OC)c3)SC2=S)c1 726627232 PJGAYDVCDRSSEH-WOJGMQOQSA-N 449.475 5.023 30 20 IKED O=C(Nc1cccc(SC(F)F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 727598354 ZJEWNIXTYTVLMM-RKDXNWHRSA-N 436.368 6.032 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)O[C@@H](C)c1cccc(C#N)c1 727635508 IZFORZXIYINMRA-GJZGRUSLSA-N 426.925 5.793 30 20 IKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)c1c(C)oc(-n2cccc2)c1C#N 728007084 YUMFXWWDEPCPFK-UHFFFAOYSA-N 429.451 5.529 30 20 IKED N#Cc1cccc(COc2ccc(NC(=S)Nc3ccc(F)c(Cl)c3)cc2F)c1 728175452 UVLOHPRIZICNOC-UHFFFAOYSA-N 429.879 5.878 30 20 IKED Cc1ccc2nc([C@H]3CCCN(C(=O)c4cc(C)n(-c5ccc(C#N)cc5)c4C)C3)[nH]c2c1 728307675 RJRKGSJLXUJKEZ-NRFANRHFSA-N 437.547 5.170 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3Cl)n2)cc1 730692154 URCKLAXECAQWNS-OKZBNKHCSA-N 438.339 5.969 30 20 IKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](C)c1cccnc1 730942637 UEELPYKAFVCHAB-AVRDEDQJSA-N 444.560 5.112 30 20 IKED COc1cc2c(cc1NC(=O)CNc1ccccc1SC[C@@H](C)C#N)oc1ccccc12 731029147 XGAIWCVSSWDHIL-INIZCTEOSA-N 445.544 5.897 30 20 IKED N#CCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 732495998 LGQFULZSMVNPHI-KRWDZBQOSA-N 442.327 5.438 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@H]2c2ccc(F)c(F)c2)c1=S 732981214 RIOOABIUUUUJNL-FQEVSTJZSA-N 442.535 5.348 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)c1 733805230 PBIRDSFELXZQLR-ISKFKSNPSA-N 433.939 5.610 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2cccc(C(F)(F)F)c2)C(C)C)c1 733852294 UUVZWGZSJRKNBD-HXUWFJFHSA-N 433.474 5.507 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccoc2)n1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 739153941 AFDUKRULFQKTNV-NFQTVLRUSA-N 449.601 5.746 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H](c3ccc(F)cc3)[C@@H]3CCCO3)c2)s1 740063040 YINIXWDZLUKTGA-GMAHTHKFSA-N 435.524 5.145 30 20 IKED CC(C)c1nc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nn1-c1ccccc1F 741904313 XAZCUQVXVGTTFG-NRFANRHFSA-N 439.494 5.438 30 20 IKED Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)COc1cccc(C#N)c1 741969691 IUEYZTPMEGIIGN-UHFFFAOYSA-N 442.494 5.621 30 20 IKED COc1ccc2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c(C)c2c1 744025135 GZNHXHBJOQFPAV-MRXNPFEDSA-N 446.500 5.494 30 20 IKED Cc1nc(-c2cccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2)cs1 744030219 BBKAINWVAVJRRF-HNNXBMFYSA-N 430.316 5.387 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)n2)cc1 744061202 IPZMKYDTXHRXFQ-IPMKNSEASA-N 438.339 5.969 30 20 IKED CCN(CC)c1nc2sc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cc2s1 744936214 OXFXAGVBOMWPNO-MRXNPFEDSA-N 448.573 5.318 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)[C@H](C)c1ccccc1C(F)(F)F 745308673 OUVUGLAHWNSZHI-HUUCEWRRSA-N 425.472 5.017 30 20 IKED Cc1ccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1N1CCOC1=O 746720296 GAXKWVYZVDHGSR-UHFFFAOYSA-N 428.448 5.260 30 20 IKED N#CCC[C@H](NC(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1ccccc1 748523655 YBZSADOWZJNWRC-QFIPXVFZSA-N 428.540 5.228 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\Cc3c(F)cc(F)cc3C2=O)cs1 751537163 WFJQOUXGTLOTLK-WUXMJOGZSA-N 430.863 5.582 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccc2ccccc2c1 753390667 RHQPZWJSANAQRC-LIRRHRJNSA-N 427.529 5.409 30 20 IKED Cc1cccc(-c2nnc([C@H](C)OC(=O)c3occc3COc3cccc(C#N)c3)o2)c1 753398519 QUSRTMNILVNQAF-INIZCTEOSA-N 429.432 5.007 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 760796285 URXYSFCUSTXGBS-UHFFFAOYSA-N 434.254 5.261 30 20 IKED C[C@@H](C[C@H](O)c1cccs1)NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 762024640 NUPHJJWRIVYSHI-KSSFIOAISA-N 426.925 5.307 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccccc1OC(F)(F)F 767110217 PHIJNWZTPLRINC-UHFFFAOYSA-N 429.423 5.214 30 20 IKED Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1cccc(-c2cccnc2)c1 768476254 LKDALAQMBVEWKN-UHFFFAOYSA-N 426.332 5.485 30 20 IKED COc1ccc([C@H](OC)[C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 772236838 JYVWXATVMDONFO-PISWEHOVSA-N 429.520 5.248 30 20 IKED C=CCCC(=O)Nc1ccc(COC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 774583376 YTQNLJGZODTATG-UHFFFAOYSA-N 432.476 5.102 30 20 IKED Cn1cc(/C=C/C(=O)c2ccc(OC(F)F)cc2OC(F)F)c(-c2ccc(C#N)cc2)n1 777913332 UPJAKFGYJGVXAI-RMKNXTFCSA-N 445.372 5.058 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\CCc3[nH]c4ccccc4c3C2=O)cs1 781552115 PGTBIQPGZKZAPE-NTCAYCPXSA-N 447.947 6.175 30 20 IKED C=CCN(C(=O)C(=O)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1)C(C)C 783397509 PTVYXIZBMRLXAZ-UHFFFAOYSA-N 429.929 5.104 30 20 IKED CC[C@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(COc2ccc(C)cc2C)o1)c1ccccc1 787044590 GNTOTDKFKBVSJQ-VXKWHMMOSA-N 430.504 5.065 30 20 IKED N#CCCn1cc(/C=C2/CCc3cc(SC(F)F)ccc3C2=O)c(-c2ccncc2)n1 788357420 ZKPOEVITUHBGTJ-ATVHPVEESA-N 436.487 5.386 30 20 IKED N#Cc1sc(N(Cc2ccccc2)C[C@@H](O)c2cccc(OC(F)F)c2)nc1Cl 804621147 JZYDYZLFUQONRZ-MRXNPFEDSA-N 435.883 5.010 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)n1 810605105 DXLKIPOMJCSPQE-AWEZNQCLSA-N 431.533 5.822 30 20 IKED CC(C)(C(=O)[C@H](C#N)c1nccc2ccccc12)c1csc(-c2c(F)cccc2Cl)n1 810717365 VCLLWACCNAHULR-MRXNPFEDSA-N 449.938 6.305 30 20 IKED N#Cc1c(F)cccc1/C=C1/CC2(CCOCC2)C/C(=C\c2cccc(F)c2C#N)C1=O 811691425 MRPMUMBVPOEYEG-UHWBUFEVSA-N 430.454 5.335 30 20 IKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CC2CC(F)(F)C2)c1 813561492 JHXPEJAYCLCYRP-LJQANCHMSA-N 443.519 5.001 30 20 IKED COCO[C@@H](C)c1cc(F)c(CNc2ccc(Cl)c(C#N)c2)cc1Br 863994854 LBKJAXYBECNIGA-NSHDSACASA-N 427.701 5.407 30 20 IKED CCCCCCCC(=O)c1ccc(OC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1 915804113 MXLDMIWIFCIIIQ-UHFFFAOYSA-N 428.573 5.063 30 20 IKED Cc1cc(C(=O)CSCc2c(F)c(F)c(F)c(F)c2F)c(C)n1CC(F)(F)F 916087877 ZXCKPVRHFFJPEN-UHFFFAOYSA-N 431.348 5.479 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2nc(-c3ccccc3)cs2)cs1 916545555 NJNVBSDGHWTDMZ-UHFFFAOYSA-N 447.589 6.014 30 20 IKED COc1ccc2[nH]cc(CC(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2c1 917045165 YBEICNHXGQAOKY-OAHLLOKOSA-N 429.423 5.224 30 20 IKED CC(=O)N[C@@H](CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccc(Cl)cc1 917045808 ADACFYYZRLPLQC-HOTGVXAUSA-N 432.332 5.047 30 20 IKED FC(F)Sc1nc2ccccc2n1CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918734560 XVVOFGSBDVBGHG-NXEZZACHSA-N 433.368 5.371 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(C(F)(F)F)cc3)n2)cc1 920143992 VRRJMXJRDWZHIU-KRWDZBQOSA-N 432.423 5.093 30 20 IKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@H](C)c2ccc(C)s2)c1 920169593 GWEBDFCMMJPNSX-UZLBHIALSA-N 441.622 5.035 30 20 IKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C=NN[C@@H](C)c2ccccc2)c1 920383233 USJRPXCQSPTDIB-IBGZPJMESA-N 426.520 5.241 30 20 IKED CSc1nc(O)c(C(=O)N[C@@H](C)c2ccc(O[C@H](C)c3ccccc3)cc2)cc1C#N 1531215389 HLIBFBVVGWVJNN-JKSUJKDBSA-N 433.533 5.012 30 20 IKED N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)c2cc3c(nc2O)CCCC3=O)cc1 1642973707 YVPSKNDDMXNWFM-UHFFFAOYSA-N 449.919 5.235 30 20 IKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4coc(C(C)C)n4)cc3)CCC2)c1 1787028214 PUSQCCBOETUZMO-UHFFFAOYSA-N 442.519 5.040 30 20 IKED CCC[C@H]1CC[C@H](C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)c[nH]4)cc3)CCC2)CC1 1790148728 KPBGCJZZKSJOPT-KESTWPANSA-N 432.568 5.241 30 20 IKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@]4(C)C[C@@H]4C)cc3)CCC2)cc1C#N 1790425173 DADRIIHQDJRNHD-QYBDOPJKSA-N 445.563 5.139 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1[nH]c2c(Cl)cccc2c1C 1796703872 GFMFKJRAWUDDKO-RDGPPVDQSA-N 439.987 5.150 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1ccc(C)c3ccccc13)C2 1798338744 HHCAGGHZJFNYTG-ZFFYZDHPSA-N 444.619 5.487 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2ccc(Cl)cc2c1 1800933627 QOOGQIMKWFRFKG-WKCHPHFGSA-N 439.987 5.132 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccc(F)cc2)C(C)C)[nH]n1 1821926198 LRRYYEIYYJOPMR-FHZYATBESA-N 440.563 5.193 30 20 IKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCCCC(C)(C)C)n[nH]1)C(F)(F)F 1822116770 IKQDFUGQJQCWSD-QGZVFWFLSA-N 442.526 5.517 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCc3ccccc32)CC1 1824144921 MXXQXLHLMGSPNP-UIOOFZCWSA-N 434.624 5.105 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)noc2-c2ccccc2)CC1 1827715052 SMBWTGXHYRDLCJ-AUSIDOKSSA-N 449.595 5.096 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cccs2)CC1 1828825466 WXNQQDHSAZVYFF-WANHOSFCSA-N 426.626 5.149 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC)cc2C)CC1 1830116551 MXGNDLPNCKHFAW-ZCYQVOJMSA-N 438.612 5.005 30 20 IKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)CC1 1830422667 XGURODLWPMQCBW-FYYLOGMGSA-N 436.706 5.167 30 20 IKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Cc3ccc(F)cc3)c2)CC1 1830451044 WCTPKYPGDPWXBG-AREMUKBSSA-N 448.582 5.226 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 1831371669 YMAJVGHGCCZJBJ-XXBNENTESA-N 443.031 5.204 30 20 IKED CC(C)(C)CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1831577854 RTCAKMODKIGHDX-QHCPKHFHSA-N 440.632 5.116 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)c1cccc3c1oc1ccccc13)C2 1841319774 FHNYBXIVSHAWEK-UHFFFAOYSA-N 428.532 5.171 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2cccc(C)c2)cc1 10167240 AYNYQMZNNCOOTF-UHFFFAOYSA-O 431.625 6.193 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nc(C)nc2sc(C)c(C)c12 22168237 YOODUEIHOSMURC-HNNXBMFYSA-N 440.594 5.053 30 20 IKED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1 24018663 YQPJQWSJRJWGTB-MRXNPFEDSA-N 433.643 5.095 30 20 IKED C=CCn1c(SCc2cc(-c3ccc(C)cc3)no2)nnc1[C@H]1COc2ccccc2O1 32324858 RCMSDIUMTPHDFR-JOCHJYFZSA-N 446.532 5.232 30 20 IKED C=CCN(Cc1cccc(C#N)c1)Cc1nc2sc(C)c(-c3ccc(C)cc3)c2c(=O)[nH]1 63300843 LZEGHBRCOXZDNQ-UHFFFAOYSA-N 440.572 5.328 30 20 IKED Cc1csc(SCc2ccc(C(=O)Nc3nc(C)c(SCC#N)s3)cc2)n1 71961646 NDVQCUGOPXZYSJ-UHFFFAOYSA-N 432.621 5.377 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cccnc3SC(F)F)c2)cc1 97496849 HRKABYCSBUXDMY-UHFFFAOYSA-N 425.460 5.294 30 20 IKED N#CCCCOc1cccc(/C=C2/CC/C(=C\c3cccc(OCCCC#N)c3)C2=O)c1 110424273 LCORAJQXUVEGRS-QFFDILLMSA-N 426.516 5.882 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N(Cc2cccs2)Cc2cccs2)cc1OC 209494839 LBRGJPGHZFXCDD-LUAWRHEFSA-N 425.575 5.625 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(N2CCCC2=O)c(F)c1 261451807 IVMJTFWMNSHABH-UHFFFAOYSA-N 431.492 5.228 30 20 IKED Cc1cc(N[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)n2c(nc3ccccc32)c1C#N 302034144 JIWVHDUEDBEMJA-CYBMUJFWSA-N 426.446 5.216 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(OCC(F)(F)F)cc3)c2)c1 303646166 SHPISAAWCHMKKI-UHFFFAOYSA-N 426.394 5.331 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc(Cl)c1SCC(F)F 303748887 DUJVVEWEQPFKSB-UHFFFAOYSA-N 440.899 5.375 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1 303841092 MARFGJGJODNOSX-MRXNPFEDSA-N 439.437 5.890 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc(-c3cncnc3)cn2)c1 410154761 LQZMSLQNOYRCET-UHFFFAOYSA-N 427.851 5.108 30 20 IKED COc1ccc(Oc2ccc(S(=O)(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)cc1 431634695 HNYIBIMMZZTGEB-DEOSSOPVSA-N 436.533 5.201 30 20 IKED CN(CC(C)(C)C#N)C(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1 432806675 PXXZRLNEZVKADD-UHFFFAOYSA-N 426.879 5.833 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1 433925495 VIIAGYBTNQLOTA-NRFANRHFSA-N 443.547 5.056 30 20 IKED COc1ccccc1C[C@@H](C)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 437836275 CWBQJRIWWHRGRB-LJQANCHMSA-N 429.520 5.763 30 20 IKED CCN(CC)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1Cl 437930649 WZYHRXXYRMQIPW-IFMALSPDSA-N 438.959 5.126 30 20 IKED CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 437962421 ZVDLTXMOCQKZJT-QIJUGHKUSA-N 439.943 5.116 30 20 IKED CC1(C#N)CCN(C(=O)Nc2ccc(Oc3ccc(F)cc3)c(Br)c2)CC1 442075684 VKQHWKNJYPNEGK-UHFFFAOYSA-N 432.293 5.538 30 20 IKED Fc1ccc(-c2cc(CN[C@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)on2)cc1 444740097 VMUSZYMEBRJXPW-GOSISDBHSA-N 432.339 6.283 30 20 IKED COc1ccc([C@H]2CCCCCN2C(=O)CNc2ccccc2SC[C@@H](C)C#N)cc1 446621432 AWUSCSQUMAEFQJ-WMZHIEFXSA-N 437.609 5.503 30 20 IKED Cc1ccccc1[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCO1 461832245 ISSRIWGQFLWSAJ-VWNXMTODSA-N 427.552 5.036 30 20 IKED N#Cc1cc(NCc2nccn2CC(F)(F)F)ccc1Oc1ccc(C(F)(F)F)cc1 462187859 JABKNVMPNRJBKQ-UHFFFAOYSA-N 440.347 5.740 30 20 IKED COc1cccc(CN(C)C(=O)[C@H](C)c2cccc(C#N)c2)c1OCc1ccccc1F 462421083 IFXGRGVWGUOMNJ-GOSISDBHSA-N 432.495 5.047 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(C(=O)C3(c4ccc(C#N)cc4)CC3)C2)n1 470416688 YCPIBJSFTLWFDC-IBGZPJMESA-N 443.572 5.128 30 20 IKED C=CCN(C(=O)[C@@H](C)c1cccnc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 470831311 LPTWIQJQUOJOPI-IBGZPJMESA-N 425.557 6.195 30 20 IKED Cc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c(-c2nc(C3CC3)no2)c1 471645935 JYEHEFJXYABWBQ-UHFFFAOYSA-N 440.459 5.218 30 20 IKED CC[C@H](C)Oc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c1 476180502 YQSVAYTZMFXLQS-KRWDZBQOSA-N 429.476 5.105 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(OCCc3ccccc3)CC2)cc1 479573332 JXJSUCQNMHHLOI-UHFFFAOYSA-N 442.584 5.573 30 20 IKED CC(C)c1nc(C(=O)N(C)c2cc(Cl)ccc2C#N)nn1-c1c(Cl)cccc1Cl 479574250 MIFMKUGUEUHUDR-UHFFFAOYSA-N 448.741 5.499 30 20 IKED N#CCN1CCC[C@H](CNC(=O)[C@@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)C1 479893702 AVWBHXNSADLFHT-IERDGZPVSA-N 448.419 5.179 30 20 IKED N#CCCN(CC(F)(F)F)C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 482644956 VAIZUSGAIUHKDU-UHFFFAOYSA-N 435.496 5.386 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@@H](C)c2ccc3ncsc3c2)n(C2CCCCC2)c1C 485837115 YHPCCKYZVPKFRS-INIZCTEOSA-N 435.597 5.381 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2nc3ccccc3s2)nnc1-c1ccccc1C 488875464 DXPVXGBUZOXOKW-OAHLLOKOSA-N 435.578 5.169 30 20 IKED CCN(C(=O)c1cc(NC(=O)Nc2cccc(OCCCC#N)c2)ccc1Cl)C(C)C 490554904 JNCNHDAELOKITJ-UHFFFAOYSA-N 442.947 5.537 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C 495445395 UUDDRLGYEYSDHD-RDJZCZTQSA-N 443.613 5.573 30 20 IKED C[C@H](c1cccnc1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 496333869 UGJBYCITDQVXDD-CYBMUJFWSA-N 445.470 5.244 30 20 IKED C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CC=C(c2ccc(C#N)cc2)CC1 502553136 JTOHGBVFHZZGKQ-CQSZACIVSA-N 425.319 5.765 30 20 IKED CN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H]1CCc2ccccc2C1 512719829 FXIWSIVAPSFRIA-XMMPIXPASA-N 425.532 5.353 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)c1 513474189 FACMUDGVDCTZPY-AZGAKELHSA-N 426.516 5.035 30 20 IKED CN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)[C@H]1CCc2ccccc21 516012766 WHVPOFQNYSTTBU-QFIPXVFZSA-N 445.906 5.088 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1OCCOc1ccccc1 517460867 BYDAZCDONWHHCB-IBGZPJMESA-N 432.545 5.648 30 20 IKED CCOc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(C(F)(F)F)c1 517656003 JAGUVUPFXRFQSB-UHFFFAOYSA-N 440.421 6.215 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3c(-c4ccccc4Cl)noc3C)n2)cc1 517800959 SGLLSJIYKFKDFH-QGZVFWFLSA-N 449.919 5.926 30 20 IKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 517905902 PQHSBAPPHJMWQJ-MRXNPFEDSA-N 428.517 6.185 30 20 IKED CN(CCc1cccc2ccccc12)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 518259555 OCHMZENEMFHUIA-UHFFFAOYSA-N 449.510 5.143 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 520481153 KYXINYXLHMWBEI-UHFFFAOYSA-N 445.548 5.009 30 20 IKED CCn1c(SCC(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)nnc1-c1cccc(C)c1 520889492 JMWFSILFRWQCLM-OAQYLSRUSA-N 447.608 5.044 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCCOc1ccc(Br)cc1 520924090 IHVKRBPNROFKDA-INIZCTEOSA-N 447.398 6.031 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)COc1cccc(C(F)(F)F)c1 521733221 BEONKGOBJXSQTR-UHFFFAOYSA-N 448.388 5.747 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1csc(-c2ccccc2)n1 522431716 MADXKLISRHYBQF-UHFFFAOYSA-N 440.528 6.104 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 523456174 UMOGAGYOFQGLFL-FUHWJXTLSA-N 425.529 5.347 30 20 IKED COc1ccc(OCCCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 524392299 ALJXZSDNNOOXOW-UHFFFAOYSA-N 430.504 5.252 30 20 IKED N#CCc1cccc(C(=O)Nc2nc3ccccc3n2Cc2cccc(C(F)(F)F)c2)c1 524392531 OFXWTMYNUDBRCH-UHFFFAOYSA-N 434.421 5.422 30 20 IKED CC(C)c1ccc(CSc2nnc(S[C@H](C(N)=O)c3ccc(C#N)cc3)s2)cc1 524528111 LCRYIOLXOOJUEM-SFHVURJKSA-N 440.619 5.144 30 20 IKED N#Cc1ccccc1COc1cccc(CNc2ccc(-c3nnc4n3CCCC4)cc2)c1 532892071 ZKKLTXNRQIZWQZ-UHFFFAOYSA-N 435.531 5.344 30 20 IKED CCCN(Cc1ccc(C#N)cc1)Cc1csc(N(C(C)=O)c2ccccc2OC)n1 534489255 RLCULGXPBRUENJ-UHFFFAOYSA-N 434.565 5.120 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1csc([C@H]2CCCO2)n1 535210466 KXODLYUZJMVNBG-CQSZACIVSA-N 427.473 5.271 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)c1 538558557 GGTFUMZCMVOFMG-UHFFFAOYSA-N 436.427 5.186 30 20 IKED O=C1CCc2cc(F)c(NC(=O)N[C@@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)cc2N1 539446059 ILULURDAEVIYIJ-INIZCTEOSA-N 449.326 5.154 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1 539447452 ZWNDGODBHMSCIG-JTHBVZDNSA-N 435.430 5.280 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NC3CCN(Cc4ccc(C#N)cc4)CC3)s2)cc1 540606031 BCJZUHPWLKLRLD-SFHVURJKSA-N 446.620 5.314 30 20 IKED Cc1nc(-c2ccc([C@@H](C)NC(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)cc2)cs1 540979719 LXFMCRYEBSASJS-CQSZACIVSA-N 446.511 5.198 30 20 IKED C[C@@H](NC(=O)N[C@@H](c1ccccc1)c1cccnc1)c1ccc(-c2cccc(C#N)c2)cc1 541157738 OPMFGTIHVMVKOC-HRFSGMKKSA-N 432.527 5.770 30 20 IKED CC(=O)N(c1nc(Cn2nc(C#N)c3ccccc32)cs1)c1c(C)cc(C)cc1Cl 542339474 UJINRNLHGLTHNJ-UHFFFAOYSA-N 435.940 5.368 30 20 IKED CC[C@@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1ccc(Cl)s1 542556531 SCRQJDNZAQHEFK-QGZVFWFLSA-N 430.961 5.012 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)C2CC2)cc1 543280664 VJTWFZCCBQVLRZ-UHFFFAOYSA-N 444.922 5.660 30 20 IKED N#Cc1ccc(Oc2ccc(-c3nc(-c4cccc(NC(=O)c5ccco5)c4)no3)cc2)nc1 545032258 GWSDCDRIBNGOQL-UHFFFAOYSA-N 449.426 5.308 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1N1C(=O)N[C@@H](c2ccc(OC(F)F)cc2)C1=O 552787674 UFYRVSCGSYDARC-NRFANRHFSA-N 449.413 5.058 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cccc(OCc2ccccc2C#N)c1 553121393 UWALSWMUPJGBBT-UHFFFAOYSA-N 428.536 5.133 30 20 IKED C=CCn1c(S[C@@H](C)c2nccn2-c2ccccc2)nnc1[C@H]1COc2ccccc2O1 553365508 MQORDGSAAMRNJZ-LAUBAEHRSA-N 445.548 5.016 30 20 IKED CCOC(=O)C1CCC(N(CC)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 554860763 REYRPTBBUYKKPD-UHFFFAOYSA-N 449.551 5.635 30 20 IKED CCN(CC)C(=O)c1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)cc1Cl 556337933 PUQNIVXIRAPYMZ-UHFFFAOYSA-N 435.959 5.211 30 20 IKED CN(CCc1nc(-c2ccccc2)no1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 557102202 AHNFNYQQRAUOSI-UHFFFAOYSA-N 440.528 5.074 30 20 IKED CC(=O)Nc1ccc(S[C@H](C)C(=O)N(Cc2ccccc2)c2ccccc2C#N)cc1 557327694 QTKSQVXLQINHOT-GOSISDBHSA-N 429.545 5.231 30 20 IKED CC(=O)CCc1ccc(O[C@@H](C)C(=O)N(Cc2ccccc2)c2ccccc2C#N)cc1 561553984 DFNLCVUCKBMUFB-NRFANRHFSA-N 426.516 5.081 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)cc1 564198916 FMZVPNYPRBESKU-OAQYLSRUSA-N 446.482 5.508 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Cl)c2C#N)C1 570746101 VKMTWRJEQRFICY-CYBMUJFWSA-N 444.000 5.313 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1)[C@@H]1C[C@@H]1C 572635004 DKXMRRHXZMCEMI-GAJHUEQPSA-N 425.488 5.364 30 20 IKED CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 574190997 YGDQGZMLZFGQCC-UHFFFAOYSA-N 439.471 5.492 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1)[C@@H]1C[C@@H]1C 577533753 WQBYLUHBFDYTDB-HFJWLAOPSA-N 439.515 5.151 30 20 IKED N#Cc1cc(Br)ccc1CNc1ccc(F)c(NC(=O)Cc2ccccc2)c1 584864387 QWGPNMOFVYTYJQ-UHFFFAOYSA-N 438.300 5.253 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ccc3c(c2)OCO3)n1)c1nc2cc(Cl)ccc2s1 588348868 BMNOURDITNYBRV-LBPRGKRZSA-N 439.905 5.292 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3Oc3cccnc3)c2)c1 604523213 BKIWVIPTGQKEBY-UHFFFAOYSA-N 434.455 5.250 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(SCc4cn5ccccc5n4)cc3)[nH]c12 605363387 XAZURKMNPHWQJF-FQEVSTJZSA-N 437.528 5.301 30 20 IKED C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 605955630 KZFFTLAEUORJDE-QVDCYYDOSA-N 440.403 5.623 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N(CCc2ccccc2)Cc2cccnc2)cc1 608880026 OQSLJCGDYHHKIH-UHFFFAOYSA-N 447.538 5.417 30 20 IKED CCc1c(C)sc(NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)c1C#N 609032651 YCEVTJJBJHZQEQ-UHFFFAOYSA-N 437.525 5.191 30 20 IKED Cc1cccn2c(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)c(-c3ccccc3)nc12 609054652 FMPQWDMMHCALRH-UHFFFAOYSA-N 448.482 5.606 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2F)c1 609104134 PIXOSDIUHSNLAK-UHFFFAOYSA-N 447.469 6.067 30 20 IKED CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)NCc1ccc(C#N)cc1F 609254183 DRZHWLZDGFBWMS-UHFFFAOYSA-N 425.504 5.685 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC1(c2ccc(Br)cc2)CCC1 609399425 WDKLQVFOHNTLBT-HNNXBMFYSA-N 444.398 5.902 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 609437069 OACMWVDXUDBDMY-KUHUBIRLSA-N 433.936 5.479 30 20 IKED Cc1cccc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1C 609691355 JUPLZZRAOHLVMF-KRWDZBQOSA-N 447.922 5.437 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1OCc1cccc(Cl)c1 609931555 YOMCDYGXCKHBEZ-UHFFFAOYSA-N 449.938 5.471 30 20 IKED C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 610015959 WWRSUGCKHVUYRF-MWTRTKDXSA-N 433.914 6.286 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)cc1 610122905 YLKRMBGTBHNVQW-UHFFFAOYSA-N 430.904 5.738 30 20 IKED Cc1[nH]nc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1-c1cccc(Cl)c1 610354487 CDFAAQQYXTYZLF-UHFFFAOYSA-N 442.906 5.742 30 20 IKED COc1ccc2ccccc2c1CN(C(=O)N[C@H](C)c1cccc(C#N)c1)C1CCCC1 610408482 ZEBIWJUQPXTSHI-LJQANCHMSA-N 427.548 5.935 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 611492567 KJZMXSZZZTXHMN-HUUCEWRRSA-N 442.359 5.553 30 20 IKED C[C@@]1(C#N)CCCN(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)C1 612300459 GAPRMTRKBHWUBS-NRFANRHFSA-N 448.420 5.254 30 20 IKED N#C[C@@H](C(=O)c1ccc(OCC(F)(F)F)cc1)c1nc(-c2ccc(Cl)cc2)cs1 613320382 XFQTXUAIFYCDEE-INIZCTEOSA-N 436.842 5.895 30 20 IKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 616847236 WOOLYHWKUFQDGT-UHFFFAOYSA-N 433.558 5.178 30 20 IKED C[C@@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)c(Cl)c2)cc1 619837838 VVJYRWPZIOKXKD-MRXNPFEDSA-N 449.963 5.320 30 20 IKED O=C(CCOCC(F)(F)C(F)(F)F)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 622485300 JYISVHGBBNGYSG-LLVKDONJSA-N 447.244 5.029 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)cc1 673733190 QOAYWHPFALAKOM-UHFFFAOYSA-N 446.454 5.389 30 20 IKED O=C(c1csc(Cc2cccc(F)c2)n1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 679468442 UIIYJKNUTKUKRW-VXGBXAGGSA-N 440.384 5.076 30 20 IKED CCn1ncc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1-c1ccccc1 683156755 CHOFLQYDSMFKHH-OAHLLOKOSA-N 440.450 5.689 30 20 IKED CCN(C(=S)Nc1ccccc1C#N)[C@H]1CCSc2ccc(Br)cc21 728796634 JPCYDFIMRGDEMI-KRWDZBQOSA-N 432.412 5.577 30 20 IKED C=CCn1c(-c2ccncc2)nn(CNC(CC)(CC)c2ccc(Cl)cc2)c1=S 728900914 WXXQAJBATTZTHI-UHFFFAOYSA-N 428.005 5.578 30 20 IKED COc1cc(/C=C2/Cc3c(C)cccc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 729151957 ZDTASRCCFSFMSZ-PDGQHHTCSA-N 447.918 5.497 30 20 IKED C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)/C=C/c1ccc(Br)cc1 730997865 XAGJSAHCRIYTAW-VNDWYCCKSA-N 437.384 5.113 30 20 IKED COc1ccccc1-c1nc(COC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cs1 732399736 WRAWDHDEJVLDSE-UHFFFAOYSA-N 443.484 5.235 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccccc2CCc2ccccc2)ccc1OC 733232142 NVRXJYGNUUBKIJ-QHCPKHFHSA-N 428.532 5.091 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c23)c1 733771345 SKUKNQKNUJXDBY-SFHVURJKSA-N 444.491 5.019 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 735208914 OWHLJVNZHMFNKS-HXUWFJFHSA-N 429.863 5.274 30 20 IKED CCN(CC)c1ccc(-c2nnc(SCc3cc(Cl)ccc3OCC#N)n2C)cc1 735230370 JYBMXRAMMYNDQT-UHFFFAOYSA-N 441.988 5.176 30 20 IKED N#CCCn1ccc(NC(=O)c2cc(-c3ccccc3)nc3cc(Br)ccc23)n1 735454125 OQFNSGHYFLHUNL-UHFFFAOYSA-N 446.308 5.027 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)CCc1c[nH]c2c(C)cccc12 741518154 PRKQKQFDHOUWQD-UHFFFAOYSA-N 427.298 5.047 30 20 IKED Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)cc1NC(=O)OC(C)(C)C 742658283 YUJPNNANQJLBEU-SFHVURJKSA-N 449.429 5.235 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cccc(CSC(C)C)c2C)ccc1OC 743205130 KRRVRRLOYRKVSX-FQEVSTJZSA-N 441.597 5.648 30 20 IKED C[C@H]1CN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C[C@@H](c2ccc(F)cc2)O1 743624632 GSFBOIZXRQPKHU-AOMKIAJQSA-N 435.524 5.097 30 20 IKED C=CCN(C(=O)c1ccc(CNC(=O)C=C(C)C)cc1)c1nc(-c2ccccc2)cs1 744353251 QUBFRADJONCKHC-UHFFFAOYSA-N 431.561 5.225 30 20 IKED N#CCCn1cc(C(=O)CN2CCCCC[C@@H]2C[C@H](O)c2cccs2)c2ccccc21 750835145 HUHZNIOEYMHLOI-XXBNENTESA-N 435.593 5.167 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@H](O)c1cccc(F)c1 752645614 MZIKLQPGWQYYAZ-GNOCETLISA-N 437.902 5.378 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CSc2nc(-c3ccccc3)no2)cc1 755047664 OCGUCWHDMJPRJB-NRFANRHFSA-N 426.501 5.123 30 20 IKED N#CCOc1ccc(CNC(=O)N2Cc3cc(Cl)ccc3C[C@H]2c2ccccc2)cc1 755987789 CZVPBJXBLKRFIH-DEOSSOPVSA-N 431.923 5.252 30 20 IKED N#C[C@H]1C(CN2CCc3ccccc3[C@@H]2Cc2ccccc2)=CC(=O)n2c1nc1ccccc12 761765054 HBVCENFRVXOIDP-IGKIAQTJSA-N 444.538 5.066 30 20 IKED C=C(Cl)COc1ccc([C@@H](C)N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1 765987551 KFIXHIIAHPOEIM-MSOLQXFVSA-N 432.967 5.330 30 20 IKED COc1cc(C#N)ccc1NC(=O)c1oc2ccccc2c1CSc1nc(C)cs1 766650525 YUSHBCOJBKGEHQ-UHFFFAOYSA-N 435.530 5.623 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(F)cc1C(F)(F)F 768094258 FNVRYBHNNWKQFW-GFCCVEGCSA-N 440.418 5.034 30 20 IKED COc1ccccc1CSc1ccccc1NC(=O)NCc1ccc(OCC#N)cc1 770287959 BITPNTYFMLZFDF-UHFFFAOYSA-N 433.533 5.212 30 20 IKED N#C[C@@H](C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc2ccccc2n1 780301124 GGORSGOYHLWEOV-XMMPIXPASA-N 446.485 5.646 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CCCC[C@@H]2C(=O)N2c3ccccc3C[C@H]2C)n1 780402136 IEQOOCZMEOTQIX-RSPOEFSDSA-N 435.593 5.227 30 20 IKED CCOc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)cs2)cc1 797572152 ZKQXUBHLSRIHOW-QGZVFWFLSA-N 425.579 5.382 30 20 IKED C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 797615437 HETQPZGWSNCWDS-YWZLYKJASA-N 435.911 5.159 30 20 IKED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 798013981 SPLMQIUWHCSGJC-DYVFJYSZSA-N 443.466 5.155 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)c1 798411662 QVYKUCYIZXYKRU-HXUWFJFHSA-N 429.923 5.191 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](CCO)Cc2ccccc2)cc1Cl 799386689 CDWUQQINTCHIHI-GMAHTHKFSA-N 433.939 5.111 30 20 IKED COc1cc(/C=C\C(=O)c2ccnc(O)c2)ccc1OCc1ccc(Br)cc1 806555794 IPODDQHJPNUHAS-YWEYNIOJSA-N 440.293 5.033 30 20 IKED N#Cc1cc(Oc2ccc(NC(=S)Nc3cccc(OC(F)(F)F)c3)cc2)ccn1 811708272 VYDXZSDYWCJNCH-UHFFFAOYSA-N 430.411 5.453 30 20 IKED O=[N+]([O-])c1cc(C=NOCc2cc(-c3ccc(Cl)cc3)no2)ccc1N1CCCC1 913029349 GHURIXOQUBLRSH-UHFFFAOYSA-N 426.860 5.054 30 20 IKED N#C[C@@H](C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1nc(-c2ccccc2)cs1 915102603 ZTCWOLQZKWVONK-SFHVURJKSA-N 448.935 5.713 30 20 IKED O=S(=O)(Nc1cc(N=Cc2cc(Cl)cc(Cl)c2O)ccc1F)c1cccs1 915982738 AGDFMNMRFYFPGF-UHFFFAOYSA-N 445.324 5.451 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNc1cccc(OCCCC#N)c1 916843778 QIYFNGLDOWSLTI-UHFFFAOYSA-N 429.351 5.841 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(CSc3nc(C)cs3)cc2)cc1 916910832 CFCVRHUUYWWTDK-FQEVSTJZSA-N 435.574 5.267 30 20 IKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)CCN1c2ccccc2Sc2ccccc21 916930768 KGHYLJCXUZSNLC-QGZVFWFLSA-N 443.528 5.036 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)n2)cc1 916974630 OLMPKRLWJJNJOF-LJQANCHMSA-N 447.947 6.236 30 20 IKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(F)cc1 918276269 CRFHDWVSVMMKJD-DNQXCXABSA-N 443.522 5.323 30 20 IKED N#C[C@@H](C(=O)C1(c2cccc(F)c2)CCOCC1)c1nc2cc(C(F)(F)F)ccc2s1 920113158 RNQPHQQUAIYBTR-INIZCTEOSA-N 448.441 5.379 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 920234999 PGOJPRMBAVWSAR-SKBVVQJISA-N 425.532 5.631 30 20 IKED CCCCc1oc2ccccc2c1/C=C\C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 920264984 GZCABLGMXHPADF-GDCKJWNLSA-N 427.529 6.184 30 20 IKED COc1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)ccc1OC(C)C 921117730 AGVZAYCUGAMPRU-UHFFFAOYSA-N 431.492 5.468 30 20 IKED CSc1nc(O)c(C(=O)N(C)[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)cc1C#N 1265722939 HGGOLMCGGDSNPL-IBGZPJMESA-N 441.915 5.035 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(SC)cc3)CCC2)cc1 1786679698 JGJVUKMGZOZBJW-UHFFFAOYSA-N 440.634 5.004 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(NC(C)=O)cc3)cc2)CCC1 1792135337 BJMMWANSCBIRII-XMMPIXPASA-N 445.563 5.161 30 20 IKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C3CC3)cc2)[C@H]1c1cccnc1 1803090666 IGTXDXUDDIXRNR-FTJBHMTQSA-N 443.591 5.047 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C2(C)CCCCC2)[C@@H]1c1cccnc1 1813001838 FMSWWNZPWMSORO-VXKWHMMOSA-N 425.617 5.050 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3CCCCC3)CC2)c1 1826284381 MSYDDAWUUCXYTP-NLFFAJNJSA-N 435.612 5.127 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc3ccccc23)CC1 1828000385 HEQZEJSKBBKLBF-BKMJKUGQSA-N 445.607 5.237 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc(C(C)C)cs2)CC1 1828821423 NIDWAMGOOHTRFV-RBBKRZOGSA-N 443.657 5.268 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 1828822632 KYXOWRHSSGSCKM-DNQXCXABSA-N 443.031 5.271 30 20 IKED CCCCC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1 1830716984 FDPSIJZTIABITM-YADARESESA-N 441.591 5.147 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H](C)c2ccccc2)CC1 1831448130 IPABQPQILBYILU-SIKLNZKXSA-N 432.555 5.011 30 20 IKED C=CCn1c(SCc2nc(-c3cccc(Cl)c3)no2)nnc1-c1ccccc1OC 8936621 ONOVMHHHKQEPMG-UHFFFAOYSA-N 439.928 5.135 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2ccccc2CC)cc1 10173774 XDUGXNOZSRZTDT-UHFFFAOYSA-O 439.988 5.640 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccccc2Cl)cc1 10826837 XHHPOLNWMNNPJI-UHFFFAOYSA-O 426.993 5.196 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2cccc(C)c2)c1 14871983 OCRBVVMNJLMGNO-UHFFFAOYSA-O 444.407 6.203 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2C)nnc1-c1ccc(F)cc1 16835669 WSFSGSZSOGJWNY-AWEZNQCLSA-N 430.936 5.351 30 20 IKED CCCN/C(S)=C(/C(=O)c1ccc(Cl)c(Cl)c1)[n+]1ccc(C(CC)CC)cc1 22804277 OTFGBMSCNBOATE-UHFFFAOYSA-O 438.444 6.123 30 20 IKED N#Cc1ccsc1NC(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c12 23648766 KJXMTQLOZZLEBS-UHFFFAOYSA-N 426.523 5.161 30 20 IKED N#Cc1cccc(COc2cccc(/C=C(\Cl)c3nc4ccc(Cl)cc4c(=O)[nH]3)c2)c1 107842867 FQZXHDQLOGQQKE-NHDPSOOVSA-N 448.309 5.764 30 20 IKED O=C(c1ccccc1OCc1ccc(F)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 303716212 VIBMCAKNIYTOHW-UHFFFAOYSA-N 435.339 5.362 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCCCC[C@H]2c2ccco2)cc1 303879839 QVCRUSUMINQOTQ-DEOSSOPVSA-N 429.520 6.074 30 20 IKED C=CCn1c(C)cc(C(=O)CN(CCC)Cc2nnc(-c3ccccc3Cl)o2)c1C 426429482 ZLOBCWKLZUFYMS-UHFFFAOYSA-N 426.948 5.089 30 20 IKED CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H](C)c1ccc(C#N)cc1 430312165 ATUHFKVEKBOAKE-CYBMUJFWSA-N 428.319 6.134 30 20 IKED COC(=O)[C@@H](Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)c1cccc(C#N)c1 434873481 JZVNXUFVQFOQED-IBGZPJMESA-N 428.275 5.379 30 20 IKED CCCN(C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@H](C)c1ccc(Cl)c(Cl)c1 434993799 DCLYITXNZFVYQB-CQSZACIVSA-N 449.382 5.360 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 438501143 SLHXVJVAWXEGSR-NCLPYWGKSA-N 443.572 5.298 30 20 IKED C=CCC[C@H](NC(=O)c1cccc(COC2CCOCC2)c1)c1ccc(C(F)(F)F)cc1 441587664 HJPMXSLZRPMYRI-QHCPKHFHSA-N 447.497 5.838 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(Cl)c1SC(C)C 441671532 QTJUCYWDBUCUPT-UHFFFAOYSA-N 429.973 5.089 30 20 IKED N#C[C@@H](C(=O)c1ccncc1Oc1ccccc1)c1nc(-c2c(F)cccc2F)cs1 442508663 MIBNSJUJEQBUGD-INIZCTEOSA-N 433.439 5.766 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)c1nc2ccccc2s1 442609701 ZOAJMEVHSHHJKM-SFHVURJKSA-N 440.459 5.642 30 20 IKED Cc1c(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cnn1C1CCCC1 445244239 YYEXPVHZYMYCST-UHFFFAOYSA-N 428.496 5.075 30 20 IKED C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CCc2cc(OCC)ccc2C1 460543666 BVQRCIPJEIXILW-LOSJGSFVSA-N 444.579 5.061 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H]1c1ccc(COC)o1 460957154 JXPXZDMQEJVEQE-FIXSFTCYSA-N 448.567 5.180 30 20 IKED Cc1ccccc1[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCO1 461832242 ISSRIWGQFLWSAJ-ISKFKSNPSA-N 427.552 5.036 30 20 IKED C[C@](Cc1nc2ccccc2s1)(C(=O)NCc1cc(C#N)ccc1F)c1ccccc1 464044837 CBBNPIWGOMGHEH-RUZDIDTESA-N 429.520 5.124 30 20 IKED N#C[C@@H](C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccn1 464423978 FXIFDVDXVATNFN-GFCCVEGCSA-N 426.238 5.628 30 20 IKED C[C@@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)Oc1ccc(Cl)cc1 466370398 OUEOOOLMMIJATG-SFHVURJKSA-N 449.938 5.574 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 471274590 WXJBCPODLURTIE-OOHWJJMZSA-N 440.535 5.008 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 471318627 FJDFIUMTTSPCCH-SJLPKXTDSA-N 441.919 5.301 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3ccccc3O[C@H](C)c3ccccc3)C2)n1 471900338 DWDFGWKELJYBCI-NFBKMPQASA-N 440.547 5.257 30 20 IKED COc1cccc([C@@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2cc(F)ccc2OC)c1 472682693 KDBYYMCCAGJYIZ-XMMPIXPASA-N 447.510 5.555 30 20 IKED N#CC[C@@H](CC(=O)NCc1ccc(Br)cc1C(F)(F)F)c1ccccc1 476541317 TWURGTOZBHNHSW-AWEZNQCLSA-N 425.248 5.172 30 20 IKED C=C(C)[C@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(F)c(F)c1 479424901 SHVJXEDVLLBGMN-QHCPKHFHSA-N 426.894 6.278 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(OCC)c(Br)c1 482284323 GEMMYMODKYFOKZ-UHFFFAOYSA-N 435.366 5.235 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4nccc5ccccc45)cc3)o2)c1 483218909 QWUDAXFROLEPFM-HSZRJFAPSA-N 430.467 5.750 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 485248632 VNFIBYWYDRXCOK-QGZVFWFLSA-N 438.494 5.254 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@H]2CCCc3ccccc32)nnc1-c1ccccc1C 488914289 QOXPDDXBMZUZLI-QFIPXVFZSA-N 432.593 5.068 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)nnc1-c1cccs1 489429740 OFWQEDQXPUIIQQ-LSDHHAIUSA-N 430.624 5.098 30 20 IKED CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1 490150158 XMWJJZNZJITXES-UHFFFAOYSA-N 447.922 5.782 30 20 IKED Cc1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1S(=O)(=O)C1CCCC1 491239102 JAPGEHNRVRYOLB-UHFFFAOYSA-N 449.576 5.222 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(Oc4ccncc4)c3)cc2F)c1 493462372 JCHKBCKPQFYHSV-UHFFFAOYSA-N 439.446 5.716 30 20 IKED C=CCC[C@@H](C(=O)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1)c1ccccc1 494884986 CSOJLSRLJRFJFT-UYAOXDASSA-N 442.485 5.204 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)c2cccc(F)c2F)nnc1-c1ccc(Cl)cc1 500483244 FXZQMUYHCHFFOM-ZDUSSCGKSA-N 448.926 5.032 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 501581813 ICODCZYWQNWRQF-RTWAWAEBSA-N 436.474 5.215 30 20 IKED COc1cccc(C2=CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)C2)c1 501632632 AGLCEKCQSGPWTP-UHFFFAOYSA-N 426.541 5.399 30 20 IKED COc1cc(C2(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)CCC2)ccc1C 503079605 CNSWOXRVPUQFSH-UHFFFAOYSA-N 439.515 5.188 30 20 IKED Cc1cc(NC(=O)[C@@H](Oc2cccc(Cl)c2Cl)c2ccccc2)nn1CCC#N 504293856 UTNWISVYNHPRFQ-FQEVSTJZSA-N 429.307 5.171 30 20 IKED CC1(C#N)CCN(C(=O)c2ccccc2NC(=O)c2ccc(Oc3ccccc3)cc2)CC1 507827741 RIUMNPMUKIQBDB-UHFFFAOYSA-N 439.515 5.497 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 507890737 HGGSSCVEYXUMQO-UHFFFAOYSA-N 442.475 5.114 30 20 IKED N#Cc1cc(C(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)cnc1C(F)(F)F 510630097 NXXXRQHCPOZUDP-UHFFFAOYSA-N 442.344 5.367 30 20 IKED C[C@H](CC(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c1ccc(C(F)(F)F)cc1 512800467 CEGAUSATTYKBJL-CQSZACIVSA-N 428.376 5.662 30 20 IKED N#C[C@H](C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)c1nc2ccccc2s1 513655475 RGYGCPMXWMSCRL-OAHLLOKOSA-N 445.504 5.235 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(N3CCCC3=O)c2)cc1 513948703 PNMPGGARKLHTRM-UHFFFAOYSA-N 442.494 5.058 30 20 IKED C[C@@H]1CN(Cc2ccc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)cc2)C[C@@H](C)O1 515689233 MOPRHNQXIOJVQM-QZTJIDSGSA-N 431.561 5.148 30 20 IKED C[C@H](c1c(F)cccc1F)N(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 516365872 UMUADTQSDOZOCE-GFCCVEGCSA-N 445.520 5.205 30 20 IKED Cc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 516415055 FEIFRESSJAUAFE-FDDCHVKYSA-N 445.950 5.462 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3nc(-c4cccc(Cl)c4)cs3)cc2)nc1 521086921 DFTVWCYXEMWHCC-UHFFFAOYSA-N 432.892 5.775 30 20 IKED O=C(Nc1cc(F)c(F)cc1F)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 521515240 YXAHQUALTYLQSV-UHFFFAOYSA-N 447.253 5.238 30 20 IKED COc1cc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 522642305 CBIYYCJZCOPJQT-PEBXRYMYSA-N 443.887 5.251 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)NC[C@H]3CCCO[C@@H]3c3ccccc3)c2)c1 523727184 GSHMPWYXIMSRHI-AOYPEHQESA-N 426.516 5.035 30 20 IKED COCCOc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1F 523893253 CLSVTNJFJRZNJW-UHFFFAOYSA-N 440.858 5.421 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cc(O)ccc3C(F)(F)F)c2)cc1 527524409 JTCCMJTWGSARGF-UHFFFAOYSA-N 426.394 5.308 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CNC(C)(C)c1ccc(Cl)c(Cl)c1 533508232 QASFQHDIISZVKQ-CQSZACIVSA-N 436.408 5.851 30 20 IKED Cc1nnc(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)n1[C@@H]1CCC[C@@H](C)C1 534606434 VMXOXTYTAPLRMD-JFIYKMOQSA-N 443.642 5.463 30 20 IKED C=C[C@H](CC(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccccc1 535363582 CMUGNCNBWGPJLY-VQTJNVASSA-N 430.523 5.544 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1ccc(-c2ccncc2)cc1 537138341 KPPOMEFRAFVWQY-RTBURBONSA-N 430.577 5.432 30 20 IKED O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)N1CCc2c(F)ccc(F)c2C1 537914024 MTQBCZBUKUZNJJ-UHFFFAOYSA-N 446.326 5.085 30 20 IKED CN(Cc1cc(F)c(F)c(F)c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 538618789 GRMQGVVYUUPJNV-UHFFFAOYSA-N 443.400 5.358 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1 539101526 ULHIIAKRERPTEZ-UHFFFAOYSA-N 443.453 5.407 30 20 IKED CN(C[C@@H](O)C(F)(F)F)C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1 540404001 MUHPANASVPMENO-OAHLLOKOSA-N 440.315 5.024 30 20 IKED COc1cc(C#N)ccc1NC(=O)[C@H](Oc1ccccc1Br)c1ccccc1 546004249 QSOQWMQIUPQYEQ-OAQYLSRUSA-N 437.293 5.088 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 549291994 OEJGTQDIVKMNFF-FIKGOQFSSA-N 442.560 5.161 30 20 IKED CC1(C#N)CCN(c2nnc(-c3cc(Cl)ccc3Cl)n2Cc2cccs2)CC1 549580056 SPYSBNNGGLOIIV-UHFFFAOYSA-N 432.380 5.492 30 20 IKED CC(C)CC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1F 555081191 FLOJPIBWVMIQES-UHFFFAOYSA-N 432.455 5.122 30 20 IKED CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 557851297 IMOOADDFVIBRBM-UHFFFAOYSA-N 432.490 5.102 30 20 IKED FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1noc([C@H]2CC[C@@H](C(F)(F)F)C2)n1 558386466 MCWUJIMKDDCKME-JGVFFNPUSA-N 449.273 5.538 30 20 IKED N#CCCC[C@H](NC(=O)c1[nH]c2ccc(Br)cc2c1Cl)c1ccccc1 562291760 CXVZUMDTYNCZJY-INIZCTEOSA-N 430.733 5.749 30 20 IKED C=CCN(C(=O)c1ccc(-c2cccc3cccnc23)cc1)c1nc(C(=O)OCC)cs1 573877801 RDSFIQMBGSEEEF-UHFFFAOYSA-N 443.528 5.368 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1)[C@@H]1C[C@@H]1C 573993197 FFTHJNPUUVMMJI-HFJWLAOPSA-N 439.515 5.559 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cnc2c(cnn2C(C)C)c1 603532825 WWMYIWSVVWXOOH-UHFFFAOYSA-N 427.483 5.178 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)cc1Cl 603759121 USURYASACDGGPL-LADGPHEKSA-N 446.934 5.806 30 20 IKED N#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C(F)(F)F)c1 603970102 GAMHLSLGOQBEFY-UHFFFAOYSA-N 428.741 5.050 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c1 604929723 PYXKEMJVDMBPCX-GOSISDBHSA-N 447.878 6.243 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1coc(-c2cccs2)n1 609078458 RSUYFWXSMMUJMM-UHFFFAOYSA-N 444.516 5.484 30 20 IKED Cc1cc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c(C)n1CC(F)(F)F 609173290 NUUQKZCJWOMLIG-QFIPXVFZSA-N 441.453 5.241 30 20 IKED CN(Cc1ccc(Br)o1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609209055 VBMXHBGWIBHIOI-UHFFFAOYSA-N 426.270 5.370 30 20 IKED CCN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609434197 CNKSZEJNCZJBBL-JOCHJYFZSA-N 429.476 5.044 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 609437845 SZAQWJHHCXCVOG-HNAYVOBHSA-N 427.957 5.036 30 20 IKED CC1CCN(Cc2cccc(CNC(=O)Nc3ccccc3S[C@H](C)CC#N)c2)CC1 609439055 VOPMJMQTTYRMNH-HXUWFJFHSA-N 436.625 5.634 30 20 IKED N#C[C@H](NC(=O)CCc1ccc(Br)cc1F)c1ccc(Cl)c(Cl)c1 609460929 RARFELFBQYFFGR-INIZCTEOSA-N 430.104 5.209 30 20 IKED N#C[C@@H](NC(=O)CCc1ccc(Br)cc1F)c1ccc(Cl)c(Cl)c1 609460930 RARFELFBQYFFGR-MRXNPFEDSA-N 430.104 5.209 30 20 IKED CC(C)C(=O)Nc1ccc(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 609498713 AKYNCIMICHAMGO-UHFFFAOYSA-N 427.504 5.069 30 20 IKED Cc1c(C(=O)N[C@@H](C#N)c2ccccc2Br)oc2ccc(Br)cc12 609591675 QHEYWJZUDOGUBG-HNNXBMFYSA-N 448.114 5.261 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 609723927 NKZKKXKKOOUMBD-INIZCTEOSA-N 447.947 6.651 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3csc(Nc4ccccn4)n3)cc2F)c1 609875887 IGMOQTXNGAMNDT-UHFFFAOYSA-N 445.479 5.124 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(N2CCc3sccc3C2)nc1 610628834 LAXHXGQRESLXQG-FGZHOGPDSA-N 443.576 5.009 30 20 IKED CC(=O)N(c1nc(CSc2ccc(Cl)cc2C#N)cs1)c1ccc(C)cc1C 610655199 UPYYZEAVPRBOKF-UHFFFAOYSA-N 427.982 6.262 30 20 IKED N#CC(CCN1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)(c1ccccc1)c1ccccc1 618283312 MICMKLXOFKHCIQ-RTBURBONSA-N 426.404 5.559 30 20 IKED O=C(Nc1ccccc1CCC(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 622427386 VBDPRKVMWSOESS-UHFFFAOYSA-N 429.282 6.471 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c1C(F)F 676165657 SGUKWVZOVPPXQA-MWLCHTKSSA-N 441.322 5.164 30 20 IKED Cc1c(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc(C(F)(F)F)c1F 682372997 DPSRNFJAOFMFGW-DTORHVGOSA-N 425.266 5.356 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)NC[C@H](C)c2ccc(C(F)(F)F)cc2)c1C(F)F 682396750 KSRAZDRTZVVSTF-VIFPVBQESA-N 443.338 5.412 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@H](C(=O)NC1CC1)c1ccc(F)cc1 728062964 SZLYWWGAZRLNQZ-VWLOTQADSA-N 429.495 5.017 30 20 IKED C[C@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccc(F)cc1Cl 728668476 VXBGRTPOZDHYGL-AWEZNQCLSA-N 438.842 5.327 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc1OC 729308694 JLMWTOLLISRIQW-OBIHTWHWSA-N 439.515 5.055 30 20 IKED Cc1ccsc1-c1nnc(S[C@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)o1 730150060 GNXJUXLGUOTJMQ-CRRKTRLDSA-N 425.579 5.468 30 20 IKED N#CCOc1cccc(NC(=O)[C@@H](Oc2cccc(Cl)c2Cl)c2ccccc2)c1 730172109 JPKONUKKSCWZHJ-NRFANRHFSA-N 427.287 5.655 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(-c2cccnc2)nc2ccc(C)cc12 730489945 XEJBTHHIZBMVIG-UHFFFAOYSA-N 438.487 5.342 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccsc3NC(=O)c3ccco3)c2)cc1 731475753 YQHPHWVKWXVSTG-UHFFFAOYSA-N 429.457 5.510 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccc(N2CCCC2=O)cc1 731981699 OERNTRWTVRRPKR-IBGZPJMESA-N 439.515 5.163 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)OCc3csc(-c4ccc(F)cc4)n3)cc2)nc1 732402266 OVQZCYUBURGEHN-UHFFFAOYSA-N 431.448 5.365 30 20 IKED FC(F)(F)c1cc(NN=Cc2csc(-c3cccs3)n2)nc(-c2cccnc2)n1 733080200 RQWGDKZMZDYWPM-UHFFFAOYSA-N 432.456 5.188 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2ccc(-c3csc(C)n3)cc2)c1 733800273 XTKDVWSMKZBJOA-IERDGZPVSA-N 434.565 5.360 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)c1 734277915 LZVOTGKRBWPXPK-QFIPXVFZSA-N 449.551 5.141 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)s1 739596286 VNNXMJDDWMDJCG-UHFFFAOYSA-N 435.599 5.639 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](O)c1c(F)cccc1Cl 741394186 QZYQTPJZCYDFIQ-OAQYLSRUSA-N 439.874 5.307 30 20 IKED CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 742961686 MPUWYSCJQUYNQH-PKOBYXMFSA-N 439.487 5.122 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(OC(=O)CSc2ccc(C#N)cc2)cc1 744372004 OAHNDKAQRLTXJF-UHFFFAOYSA-N 436.920 5.186 30 20 IKED CCCOc1ccc(Br)cc1/C=C\C(=O)c1cccc(N2CCOC2=O)c1 745626826 SJNANGQPTQXOSD-VURMDHGXSA-N 430.298 5.091 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cnc(-c2ccccc2Cl)s1 748003521 AKHWRCNRWJFZSA-GFCCVEGCSA-N 434.279 5.217 30 20 IKED COc1cc(/C=C/C(=O)c2ccsc2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 749104488 LTLIBKVSPJPDMN-QHHAFSJGSA-N 445.899 5.463 30 20 IKED C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cnc(-c4ccccn4)s3)c12 753141948 MJJTTWIORUALLK-QXMHVHEDSA-N 425.517 5.198 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)cc1 753297181 BNHMDVPFMIBMQM-LIKDZFNVSA-N 425.532 5.631 30 20 IKED CCOc1c(Cl)cc(C=NO[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cc1OC 758409661 BEMMWZQEKSGLPQ-HNNXBMFYSA-N 429.904 5.526 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)[C@@H](C)c2sc(-c3ccccc3)nc2C)c1 759321651 JFSNYYMKVDRKCY-RXVVDRJESA-N 448.592 5.702 30 20 IKED N#C[C@H](C(=O)c1ccccc1NCc1cccnc1)c1nc(-c2ccc(Cl)cc2)cs1 776076873 JTTOAFYXXDBPSW-HXUWFJFHSA-N 444.947 5.961 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H](CC)c2cc(F)cc(Br)c2)ccc1OC 776164597 JEFAPSUZDYWNHU-RBUKOAKNSA-N 435.337 5.519 30 20 IKED O=C(O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cc(OCC(F)F)ccn1 778027223 HEJPVMAFLYYDFM-CQSZACIVSA-N 429.263 5.205 30 20 IKED Cc1ccc(C2(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CCOCC2)cc1 779193947 ITTWJLZATZGBNW-FQEVSTJZSA-N 436.964 5.697 30 20 IKED CC[C@H](C)Oc1cccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 783391878 AQHMKFLZIMRQCJ-UUOWRZLLSA-N 427.504 5.097 30 20 IKED CC[C@@H](NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccccc1 787030487 FHOJLMDEJSDHFS-FYYLOGMGSA-N 441.462 5.080 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)/C=C\c3ccc4ccc(Cl)cc4n3)ccc21 787353508 FLGDEVSEUROMPI-LUAWRHEFSA-N 444.922 5.123 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 797570065 CBXURUPJHQCKMO-VDZJLULYSA-N 441.597 5.519 30 20 IKED COc1cccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)c1F 799867819 PCYPQJPSPWOMHT-UHFFFAOYSA-N 427.888 5.117 30 20 IKED Cc1c(-c2ccccc2)oc2c(C(=O)OCCCC3(C#N)CCOCC3)cccc2c1=O 800077406 OMDULBBSVNWFSJ-UHFFFAOYSA-N 431.488 5.026 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)c(C(F)(F)F)cc1F 804250736 QXEHAHNNABNPEP-RNFRBKRXSA-N 443.256 5.623 30 20 IKED C[C@@H](Cc1cncc2ccccc12)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 805867556 KXKANIAUZPGUDC-KSSFIOAISA-N 433.483 5.692 30 20 IKED CCCCCCn1nc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)c2ccccc2c1=O 914510287 AIVILQKVQSIPNG-UHFFFAOYSA-N 430.552 5.151 30 20 IKED COc1ccc(-c2nc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cs2)cc1 915085745 BENIMVNFXDZPJU-JOCHJYFZSA-N 425.513 5.726 30 20 IKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CC2)c1 916208192 WBCLMVABTFDBLY-KRWDZBQOSA-N 448.375 5.425 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C/c1ccc(C)cc1Br 916902073 BPOXLKHYHXQRMC-TZZQJPOUSA-N 439.353 5.243 30 20 IKED Cc1cc(/C=C\C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c(C)n1C1CCCCC1 917039539 AIXKXSINNHBWKG-GHYICZDASA-N 436.506 6.245 30 20 IKED Cc1cccc(N2C(=O)/C(=C/c3cccc(OCc4cccc(C#N)c4)c3)NC2=S)c1C 917360726 BMYZNWDJPWZFSN-UCQKPKSFSA-N 439.540 5.016 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 917823860 QTUHUHYYGMXQQK-UHFFFAOYSA-N 429.520 5.001 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3sccc3s2)c1 1798033135 HHQIFWNIWHTZKH-FZDIXFNVSA-N 449.601 5.155 30 20 IKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cccc5c4oc4ccccc45)CC3)C2)C1 1804785858 YAFXSTGUVLOZNP-UHFFFAOYSA-N 442.559 5.397 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)c(C)cc2F)[nH]n1 1814830214 SLMUXFUDEDZHFY-OAQYLSRUSA-N 442.510 5.071 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3sccc3s2)[nH]n1 1821920581 IUKZGZXMPAHHQM-ZFWWWQNUSA-N 428.583 5.204 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)Cc2ccccc2)n[nH]1 1822587415 FDZWKBHUZSJIPS-LSWJPFSZSA-N 434.584 5.049 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(C)C)no2)CC1 1823753816 JDOZRFHSRKMXHG-OAQYLSRUSA-N 429.605 5.024 30 20 IKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)cc1Cl 1829950704 LJKJOCJJLGZQNU-XMMPIXPASA-N 449.982 5.067 30 20 IKED Cc1c(Cl)cccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1 1830011369 LEPIVOZMIGVRLX-DEOSSOPVSA-N 449.982 5.067 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)ccc(Cl)c2F)CC1 1831375960 HXSGFVZEWDTCHR-KXBFYZLASA-N 438.946 5.064 30 20 IKED CC(C)C1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)CCC1 1832635335 AMKZFKJETCGFNL-OFVILXPXSA-N 449.639 5.373 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC2Cc3ccccc3C2)CC1 1832954391 DAFUYLNKGYINHC-RRPNLBNLSA-N 448.651 5.180 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C)c2)c1 16028779 KNVLEWXSHORRSO-UHFFFAOYSA-N 440.952 5.282 30 20 IKED C[C@@H]1CN(Cc2csc(/N=C(\O)c3ccc(-c4ccc(F)cc4)s3)n2)C[C@@H](C)O1 22301473 ZKXCPJLOZQSXQJ-ZIAGYGMSSA-N 431.558 5.256 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2ccc3c(c2)CCCC3)s1 22727293 PZJZZVRKYONJMP-UHFFFAOYSA-O 443.564 5.552 30 20 IKED Cc1ccc(C)c(SCC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 57771864 UUXACNFMNZULRX-UHFFFAOYSA-N 426.592 5.050 30 20 IKED CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 62411958 WUKRQFOTQSRIHC-UHFFFAOYSA-N 432.499 5.085 30 20 IKED COc1ccc(CNCC2(c3ccc(Br)cc3)CCC2)cc1OCCCC#N 64614246 VWKZZMDRBLSJBI-UHFFFAOYSA-N 443.385 5.352 30 20 IKED CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 109071864 GYCBQPFJGOZLDA-NQIIRXRSSA-N 437.971 5.219 30 20 IKED CC(=O)N(c1nc(/C=C2/CSc3c(F)cccc3C2=O)cs1)c1ccc(F)cc1F 206345160 AGEHZDHIEGCGAV-GHXNOFRVSA-N 446.475 5.617 30 20 IKED CC[C@@H](C#N)Oc1cc(CNCc2ccc(-n3cnc4ccccc43)cc2)ccc1OC 237024068 HXZLKZWIBNLQOA-QFIPXVFZSA-N 426.520 5.005 30 20 IKED N#Cc1ccc(NCc2cc(-c3ccccc3)on2)nc1NCc1cc(-c2ccccc2)on1 302655843 HKUWWLNTJXKNNN-UHFFFAOYSA-N 448.486 5.487 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2cccc(OCc3ccccn3)c2)c1 303554372 KCGRJCLPYSXBGK-UHFFFAOYSA-N 435.483 5.364 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCCCC[C@H]3c3ccco3)c2)cc1 303929663 WYUDLRONQVZMPW-DEOSSOPVSA-N 429.520 6.074 30 20 IKED Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 410100846 QMCGOJBKEXWTGD-UHFFFAOYSA-N 434.355 5.529 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 410296398 ACQRPVWUJLDCRI-HXUWFJFHSA-N 440.547 5.493 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1-c1ccccc1 428734001 XYEQJJVZVCRJGA-UHFFFAOYSA-N 447.498 5.167 30 20 IKED N#CC(CCN(CCc1ccccn1)Cc1cccnc1)(c1ccccc1)c1ccccc1 430313480 URGBNJCBCIYGHG-UHFFFAOYSA-N 432.571 5.421 30 20 IKED Cc1ccc2nc(COc3cccc(C(=O)[C@@H](C#N)c4ncc(C(C)(C)C)s4)c3)cn2c1 430625246 QFBPVJFXZNIXKG-HXUWFJFHSA-N 444.560 5.466 30 20 IKED CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 431882316 NJVDKAVWTMUIAF-DEOSSOPVSA-N 443.551 5.307 30 20 IKED COc1cccc(C(=O)CCCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1 431946743 SLEDSEZIKWCBDV-UHFFFAOYSA-N 429.476 5.054 30 20 IKED N#C[C@@H](NC(=O)c1c(Cl)cc(F)cc1Cl)c1ccc(OCc2ccccc2)cc1 432994022 NEKDZQYHNZOVMM-HXUWFJFHSA-N 429.278 5.706 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCOc3c(F)cccc3C2)cc1Cl 433241151 CWINYGGVYOIDIU-FQEVSTJZSA-N 435.886 5.561 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(C(C)(C)C(F)(F)F)cc2)c1C 433840570 FRVRXAMYWIPFRZ-UHFFFAOYSA-N 426.442 5.453 30 20 IKED CCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 437458071 CFNYUVRNINBFIT-UHFFFAOYSA-N 431.467 5.224 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438662386 COFSZZYLBAGMKY-UHFFFAOYSA-N 428.467 5.805 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(OC)c1 438666706 VRNHIPFUWKASLL-UHFFFAOYSA-N 435.455 5.171 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)c1c(-c2ccc(Cl)cc2Cl)noc1C 439142386 VWPVMOHRBYPUSP-UHFFFAOYSA-N 446.290 5.106 30 20 IKED CCCc1c(NC(=O)Nc2ccc(OC(F)F)c(F)c2)cnn1-c1cccc(C#N)c1 439239540 RZKDIXSHMTZMCU-UHFFFAOYSA-N 429.402 5.081 30 20 IKED COCCc1nc2cc(NC(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)ccc2o1 440281227 XKENNPISIPCPST-UHFFFAOYSA-N 446.438 5.464 30 20 IKED C[C@H](Nc1c(C#N)cnc2c(Br)cccc12)c1ccc(Br)cn1 440633271 DMWVCNUCMRCEFK-JTQLQIEISA-N 432.119 5.200 30 20 IKED CC(C)(C)Cc1nc(-c2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cc2)no1 442681206 ROIDLYQAROWPGA-MRXNPFEDSA-N 449.461 5.560 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3c(F)cc(Br)cc3F)cc2)nc1 443876985 ITHYKYYYFUTUEH-UHFFFAOYSA-N 430.208 5.039 30 20 IKED CC(=O)c1sc(NC(=O)c2cn(CCCC#N)c3ccccc23)nc1-c1ccccc1 443923257 XSQQMGYKWBSZFQ-UHFFFAOYSA-N 428.517 5.523 30 20 IKED CCOc1cc(CN(C)C(=O)c2cn(CCCC#N)c3ccccc23)ccc1OC(F)F 443948021 PKRZKFOZCBFOBJ-UHFFFAOYSA-N 441.478 5.217 30 20 IKED O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 464723420 AOYOFXCDBVZTOY-STQMWFEESA-N 443.322 5.190 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1 464808282 KOTWHWNQAMXKSM-FZEVHQGJSA-N 432.545 5.230 30 20 IKED COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 466059655 SUOVDARIAGZNHP-AHKZPQOWSA-N 441.531 5.192 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)CNc2ccccc2C(=O)N(C)C2CCCCC2)c1 470555959 KZHSTLQPCJBTIK-UHFFFAOYSA-N 446.595 5.067 30 20 IKED CCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H]1CCN([C@H](C)c2ccccc2)C1 473820920 DLOJFOMEYXUDGV-KCZVDYSFSA-N 436.625 5.770 30 20 IKED COc1ccc(-c2cc(NC(=O)C[C@H](CC#N)c3ccccc3)ccc2OC(F)F)cc1 474418096 RHAQBOQQZCUJAG-IBGZPJMESA-N 436.458 5.990 30 20 IKED CC(C)(C#N)c1ccc(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1 476668418 LHQQWUWAKDTSCT-UHFFFAOYSA-N 430.379 5.189 30 20 IKED C=C(C)[C@@H](NC(=O)C(=O)Nc1cc(Cl)c(OCC)c(Cl)c1)c1ccc(F)c(F)c1 477676314 FQPZSLIDJLRIOL-QGZVFWFLSA-N 443.277 5.042 30 20 IKED C=CCN(C(=O)c1cnn(C)c1SC)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 485609692 AOBZKYMKJQEETA-UHFFFAOYSA-N 446.601 5.765 30 20 IKED N#C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1cccc(Br)c1 496336489 DIPCPWNKRUYRMK-QGZVFWFLSA-N 444.716 5.071 30 20 IKED CC(=O)Nc1sc(NC(=O)c2sc3ccc(C#N)cc3c2C)nc1-c1ccccc1 501133717 ICXNXIQDFOBWAD-UHFFFAOYSA-N 432.530 5.416 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 501613140 RCHDIOMTHATAPH-UHFFFAOYSA-N 446.960 5.022 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCCC(F)(F)C3)s2)c(C(F)(F)F)c1 503174711 VOWDFZQMHPZZLS-ZDUSSCGKSA-N 429.414 5.388 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@H](C#N)c4ccc(Cl)cc4)cc3)o2)c1 505794707 FENFMBHVZBEHFR-OAQYLSRUSA-N 428.879 5.360 30 20 IKED CC(C)(C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1cc(F)cc(C#N)c1 507452147 TVWBTGOYJADLFT-UHFFFAOYSA-N 435.886 5.519 30 20 IKED N#Cc1c(NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)sc2c1CCCCCC2 508964348 ZACHKLAIYSTMLK-UHFFFAOYSA-N 441.641 5.473 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)N[C@H]3CCCc4nc(-c5ccc(F)cc5)sc43)CC2)c1 511387322 YGTWYOQKGXXESG-FQEVSTJZSA-N 435.499 5.185 30 20 IKED COc1ccc([C@H](C)N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 511482721 KODFBRAQVGHONW-KRWDZBQOSA-N 428.492 5.044 30 20 IKED COC(=O)c1ccc(Cl)c(CSCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 511936033 YVYPXPQUHXTGBB-AWEZNQCLSA-N 448.997 5.250 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2ccccc2Br)cc1 511958098 ZWXSABOZFMVXSH-UHFFFAOYSA-N 437.293 5.303 30 20 IKED Cc1ccc(-n2ncc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)c2C(F)(F)F)cc1 513158533 BUWQMSOBHSVRJR-CQSZACIVSA-N 438.331 5.103 30 20 IKED COc1cc(-c2noc(/C=C/c3cn(CCC#N)c4ccccc34)n2)ccc1OC(F)F 517609851 WUWNLXFBMVJVLA-CSKARUKUSA-N 436.418 5.385 30 20 IKED C=CCOc1ccccc1CNC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 518395189 FWXOYQSSTHBFIX-HSZRJFAPSA-N 448.950 5.082 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@@H](c3ccc(F)cc3)[C@@H]3CCCO3)cc2)cc1 518885496 UJRODKWYJDZLPR-DQEYMECFSA-N 430.479 5.334 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)cc2)cc1 518903024 RDZUCBFKRGPTFJ-UHFFFAOYSA-N 437.455 5.643 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(-c2cccs2)on1 521327155 UEBPNUVBQPVHOW-AWEZNQCLSA-N 429.592 5.669 30 20 IKED N#C[C@@H](NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1cccc(C(F)(F)F)c1 521352978 ZFKXJZPKRXBRCE-MRXNPFEDSA-N 439.224 5.193 30 20 IKED COc1cc(CNC2CCC(Oc3ccccc3C#N)CC2)ccc1OCc1ccncc1 521377245 BIGNQYWTAVTHJP-UHFFFAOYSA-N 443.547 5.021 30 20 IKED COCCN(C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[C@@H](C)c1ccccc1 521841989 CVRCJZZSTMROQA-IBGZPJMESA-N 442.519 5.052 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)cc(OC)c1OC 524388670 RVZPUGNIXLOVND-UHFFFAOYSA-N 448.494 5.005 30 20 IKED CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 539209913 GHLKXUPSKWATDW-UHFFFAOYSA-N 426.564 5.019 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1cc(F)c(Cl)cc1Cl 539242531 CIUGXWLHWBQMAN-QWHCGFSZSA-N 440.371 5.674 30 20 IKED COc1ccc(CCC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(OC)c1OC 541071595 GLPJMDKZEMPMIQ-GOSISDBHSA-N 444.531 5.061 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)C2CC2)cc1 541432863 WBHHUILYEATTQH-UHFFFAOYSA-N 425.492 5.399 30 20 IKED C[C@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 543943574 MLBGGWHTHLYEAZ-FQEVSTJZSA-N 442.563 5.185 30 20 IKED O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CC12CCOCC2 544027939 UTKZADORRIRKFZ-OLZOCXBDSA-N 449.313 5.261 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F 544250500 RXJOTOKLLUMUMO-APPDUMDISA-N 429.414 5.784 30 20 IKED N#Cc1ccc(-c2nnc(N3CCC[C@H](Nc4ccccc4)C3)n2Cc2cccs2)cc1 549580252 WOVLTQMULTZSJU-QFIPXVFZSA-N 440.576 5.007 30 20 IKED CN1[C@H]2CC[C@H]1CC([C@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1ccc(Cl)cc1)C2 554995300 XVGABPQNYDBQGJ-OAFYVUHTSA-N 435.999 5.458 30 20 IKED Cn1c(Sc2c(C#N)cnc3c(F)c(F)c(F)cc23)nnc1-c1ccc(Cl)cc1 557474011 ZKFJLOZFGGGPOJ-UHFFFAOYSA-N 431.830 5.124 30 20 IKED CC(C)(C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1)c1cc(F)cc(C#N)c1 560615391 OHTPUBXZTMREFD-UHFFFAOYSA-N 427.932 5.111 30 20 IKED CCc1ccc([C@H](C#N)NC(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)cc1 564211901 GASUGKMNHYUZBF-IBGZPJMESA-N 437.952 5.519 30 20 IKED O=C(Nc1cccnc1C(F)(F)F)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 571239594 FRAGWDXRILEGQW-NSHDSACASA-N 429.267 5.127 30 20 IKED CN(C(=O)Nc1ccc(OC(F)F)cc1OC(F)F)[C@H]1CC[C@@H](C(F)(F)F)CC1 574074844 GVWNUIDGOCFPMJ-AOOOYVTPSA-N 432.336 5.474 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2nc(-c3ccccn3)cs2)cc1 574382708 DDPZTZWWBQZATJ-UHFFFAOYSA-N 428.542 5.621 30 20 IKED CCC[C@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1cccc(C(F)(F)F)c1 579378026 QFCMDRUIWMDXGF-IBGZPJMESA-N 430.474 5.209 30 20 IKED N#CCCn1ncc(C(=O)NC[C@H](OCC2CC2)c2ccc(Cl)cc2)c1-c1ccccc1 586855009 IDYCPWVYSGREMZ-QHCPKHFHSA-N 448.954 5.015 30 20 IKED N#Cc1c(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)sc2c1CCC2 590613411 OVSJZUKTZACFIL-UHFFFAOYSA-N 432.332 5.642 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1Cl 603758866 LRZABJWKLRRUBB-QFIPXVFZSA-N 447.922 5.079 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(-c2nccn2C)c1 605921394 ITYPWUVFINVPAW-UHFFFAOYSA-N 443.320 5.209 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(Nc4ccc(C)nn4)c3)n2)cc1 606146305 MPWMEJKVVJRECC-HXUWFJFHSA-N 441.516 5.151 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 609083380 NRGOXAYIMNZBQE-KRWDZBQOSA-N 442.249 5.072 30 20 IKED Cc1ccccc1[C@H](NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@@H]1CCC[C@H](C)C1 609599319 OWBMTXNSAITIDO-IATMXGELSA-N 445.611 5.097 30 20 IKED CC(C)n1c([C@H](C)NC(=O)c2cccc(OCc3ccccc3C#N)c2)nc2ccccc21 609837452 SFNCCTGPDXCPDU-IBGZPJMESA-N 438.531 5.559 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)cc2)cc1 610042476 CLIQSNWCURVOEV-UHFFFAOYSA-N 438.237 5.274 30 20 IKED N#CCn1c(C(=O)N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)cc2ccccc21 610200951 HLDZAOXJGOFDTH-UHFFFAOYSA-N 442.346 5.403 30 20 IKED C[C@H](NC(=O)N(Cc1ccccc1OC(F)(F)F)C1CCCC1)c1cccc(C#N)c1 610406893 JTZMSRWIXVMUFQ-INIZCTEOSA-N 431.458 5.672 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Nc2ccc3c(cnn3C(F)F)c2)cc1 610962657 KJKPCMYFFABXSP-UHFFFAOYSA-N 447.445 5.720 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)c3sc(-c4ccccc4)nc3C(F)F)n2)cc1 611184110 KHLMVDVFKNXCCG-UHFFFAOYSA-N 438.484 5.995 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3c(F)ccc(Br)c3F)cn2)c1 618638909 ZIOQOWYSRBVEDW-UHFFFAOYSA-N 430.208 5.039 30 20 IKED Cc1cc(OCc2cccc(Cl)c2)ccc1NS(=O)(=O)c1cccc(CC#N)c1 619462658 XXDRSCPRUDQWKT-UHFFFAOYSA-N 426.925 5.094 30 20 IKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1cccc(C#Cc2cccs2)c1 622917631 NZWNCYZQQIOJHY-RCZVLFRGSA-N 430.573 5.780 30 20 IKED C=CCN(C(=O)CCCn1ccnc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 623240042 LZTAXJYLLWDKDX-UHFFFAOYSA-N 428.561 5.673 30 20 IKED O=C(NCCCCCc1ccc(F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 681665343 YGZDDWBBDZYJOC-GASCZTMLSA-N 428.392 5.311 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC([C@H]2CCCCCN2C(C)=O)CC1 682777457 ZNHFWAVZWPQAOF-XMMPIXPASA-N 425.617 5.574 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1SCc1ncc(-c2ccc(Cl)cc2)o1 684255665 SOWFOLBULCCCMD-UHFFFAOYSA-N 444.004 5.093 30 20 IKED CCN(CC(=O)[C@H](C#N)c1nc2ccccc2s1)C(c1ccccc1)c1ccccc1 730260956 CVJJPDMDBCWRKO-NRFANRHFSA-N 425.557 5.584 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(C3CCC3)C2=O)c1 730460530 ARDIIJWQJQHTEQ-NRFANRHFSA-N 439.556 5.264 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1C=O 730953653 NLOHZLBXVQULMS-SFHVURJKSA-N 430.529 5.435 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2CCCC[C@H]2c2cc3ccccc3[nH]2)c1=S 731026575 BEVCNBAGZKPNQM-QFIPXVFZSA-N 430.581 5.328 30 20 IKED Cc1cc(C)c(NC(=O)COC(=O)c2cccc(COc3ccccc3C#N)c2)c(Cl)c1 734200406 YHMOWYSCAPYECY-UHFFFAOYSA-N 448.906 5.203 30 20 IKED C[C@@H]1CN(c2ccc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)cc2)CCO1 736492137 LQCBZUDPELCJNL-QGZVFWFLSA-N 447.922 5.481 30 20 IKED COc1ccc(Br)c(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1 740443697 HPNMELQWAKVMIF-UHFFFAOYSA-N 442.338 5.380 30 20 IKED Cc1ccc(-c2ncc(/C=C\C(=O)c3ccc(S(=O)(=O)CC(F)F)cc3)s2)cc1 741851890 FGHLLAYFHOZFJA-FLIBITNWSA-N 433.501 5.053 30 20 IKED N#Cc1cccnc1Oc1ccccc1NC(=S)NCc1ccc(OC(F)(F)F)cc1 742985496 VWDHNNQEIOLING-UHFFFAOYSA-N 444.438 5.131 30 20 IKED CCCOc1c(Cl)cc(C=NO[C@@H](C)c2nc(-c3ccccc3C)no2)cc1OCC 744445497 QGMKHNRJRKRFEM-INIZCTEOSA-N 443.931 5.998 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CCC(c3cccc4ccccc34)CC2)c1=S 746714528 UATZCUDSYOLFPG-UHFFFAOYSA-N 441.604 5.652 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2F)cc(Br)c1OC(F)F 750894333 WALHQLXLLYSKIB-QPJJXVBHSA-N 445.231 5.493 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 752617375 QLMNRMCPGJKCKR-SBUREZEXSA-N 446.617 5.097 30 20 IKED Cc1sc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1-c1ccc(F)cc1 756231370 LGXHDMHZCXLFCU-MRXNPFEDSA-N 447.318 6.131 30 20 IKED Cc1ccc(-c2nnc([C@H](C)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)o2)cc1C 758472376 GYZVUMISFDISNH-SFHVURJKSA-N 442.494 6.116 30 20 IKED N#C[C@H](C(=O)/C=C\c1ccc2ccc(Cl)cc2n1)C(=O)Nc1cccc2ccccc12 759214637 ZXIAMPXEXWTFFK-BIGNBACZSA-N 425.875 5.402 30 20 IKED COc1ccc(C(=O)CC(C)(C)CC(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1 760184295 RPAHKBDYXWAOQF-QFIPXVFZSA-N 442.515 5.185 30 20 IKED C#CCOc1ccc([C@H](C)N[C@H](c2ccc(CC)cc2)c2cccc(S(C)(=O)=O)c2)cc1 766277839 PUQGEDOKTWMCPS-CCLHPLFOSA-N 447.600 5.105 30 20 IKED N#C[C@H](Cc1ccc(F)cc1F)OC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 774309727 GWWRHNRRBZJZBN-AWEZNQCLSA-N 440.393 5.204 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(CCC)[C@H]2CCCc3cccnc32)c1=S 774597523 BUXFZQSEXPOZNQ-NRFANRHFSA-N 449.624 5.418 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 778295211 QUVLNGXHEWOFGM-RNCFNFMXSA-N 440.878 5.305 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 780167195 VGWJDKUWCLWVNW-INIZCTEOSA-N 434.927 5.338 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 780167307 ZYTNHVQDZUUXCU-HNNXBMFYSA-N 444.878 5.600 30 20 IKED N#CCCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 784125532 JILYIZWYMKOCQV-QFIPXVFZSA-N 442.544 5.104 30 20 IKED COc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1OC1CCCC1 784831736 PVFXGMXQNTWNFJ-NRFANRHFSA-N 428.488 5.131 30 20 IKED CCC[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H](O)c1ccccc1 791786539 NJRIFVBVPALTAC-CLJLJLNGSA-N 443.547 5.355 30 20 IKED COc1ccccc1-c1csc(C2CCN(C(=O)c3ccccc3SCC#N)CC2)n1 791952684 HYKOUIDCRHGDCI-UHFFFAOYSA-N 449.601 5.454 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1cc(Cl)ccc1OC 792677123 JZQRYRHTOXCUGE-UHFFFAOYSA-N 443.769 5.635 30 20 IKED CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 797943577 TXJBKLIMXVHSBZ-APWZRJJASA-N 441.940 5.077 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)c1 798411661 QVYKUCYIZXYKRU-FQEVSTJZSA-N 429.923 5.191 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4cncc(Br)c4)CC3)n2)cc1 798815730 AHALADYDEOVUIB-QGZVFWFLSA-N 438.350 5.184 30 20 IKED Cc1nc(-c2ccc(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)cc2)cs1 799518713 QBNDSUGVIBHKLW-UHFFFAOYSA-N 429.501 5.027 30 20 IKED CC(C)(C)OC(=O)NC1[C@H]2CCC[C@H]1CC(C(=O)[C@H](C#N)c1nccc3ccccc13)C2 802814224 WBDUZOZFUQKHKI-JDJUAUPYSA-N 433.552 5.131 30 20 IKED CCOc1c(Br)cc(/C=C\C(=O)c2cc3c(C)nn(C)c3s2)cc1OC 806578499 HILBIRQSANMTJS-SREVYHEPSA-N 435.343 5.009 30 20 IKED O=C(Nc1ccc(Br)cc1C(F)(F)F)c1cc(F)c(C(F)(F)F)cc1F 808290631 UDOHYZVPORJYHT-UHFFFAOYSA-N 448.107 6.017 30 20 IKED CC(C)(C)N1CC[C@@](F)(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1 810533048 UCCQTQUXDCNWOF-XOBRGWDASA-N 440.371 5.506 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2ccc(C)cc2)nc2onc(C)c12 812955662 MGHJJEDPPPKCRL-UHFFFAOYSA-N 447.498 5.256 30 20 IKED C[C@H](SC1=NC(=O)/C(=C/c2csc3ccccc23)S1)C(=O)Nc1ccccc1C#N 814774061 XVYLYZUXQUOBBT-GJUHEBOISA-N 449.582 5.504 30 20 IKED Cc1ccc2snc(C(=O)[C@@H](C#N)C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)c2c1 816039257 RLMIYETZPYJJAW-IAQYHMDHSA-N 432.332 5.111 30 20 IKED COc1cc(/C=C2/CCOc3cc(Br)ccc3C2=O)ccc1OC(F)F 818470787 XINDZUOGALAIJN-WQLSENKSSA-N 425.225 5.108 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 915087197 QIYKUNIFAHUDJK-PPXQLYMYSA-N 441.575 5.003 30 20 IKED Cc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915351863 COMHQRDMSYRROJ-HSZRJFAPSA-N 426.520 5.061 30 20 IKED Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cc12 916074681 VTXBNRUJULOZSF-UHFFFAOYSA-N 446.470 5.040 30 20 IKED Cc1nn(-c2ccccc2)cc1CCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 916628592 UJJBIDWTPQWIGD-MHZLTWQESA-N 449.558 5.591 30 20 IKED N#C[C@H](C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2s1 916846199 LCLRBFFENKGDDV-VBROQKIQSA-N 440.368 6.224 30 20 IKED C[C@H]1CCc2sc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc2C1 916904398 BWSYBWSFHZHIQL-LPHOPBHVSA-N 430.529 5.626 30 20 IKED N#C[C@H](C(=O)COc1c(Cl)cccc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 916928283 JCQKIPAUVSCRDC-SNVBAGLBSA-N 432.090 5.027 30 20 IKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccoc4s3)CCC2)cc1 1786391038 GFSWLQIUSYSYEH-SFHVURJKSA-N 428.579 5.196 30 20 IKED COc1ccc(Cl)c(C(=O)NC2(c3ccc(NC(=O)[C@H](S)C(C)C)cc3)CCC2)c1 1786396089 PLSCEEAZFKNFCX-HXUWFJFHSA-N 447.000 5.051 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c3cc(Cl)ccc13)C2 1792572265 QSZRGLBOAQKHBW-BCDXTJNWSA-N 427.976 5.066 30 20 IKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)s1 1816353544 MMLFRSKPLGNIBD-FOIQADDNSA-N 447.564 5.026 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(Cl)cc2)n[nH]1 1816934297 XOCNYGHXQSMOIM-CTNGQTDRSA-N 440.975 5.066 30 20 IKED CC1=CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)CC1 1818810500 VFIQPFXSRZKRGZ-YDHSSHFGSA-N 445.567 5.089 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCC(F)(F)F)[nH]n1 1819552963 LHSDQBOKNYRDBD-MRXNPFEDSA-N 428.499 5.127 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3[nH]ccc3s2)CC1 1828334830 YEEZHUYQIFCMIK-FPOVZHCZSA-N 439.625 5.231 30 20 IKED Cc1ccc(-n2c(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nnc2-c2ccccc2)cc1C 10212470 SFPVRWMEMVNAHK-DFBJGRDBSA-N 447.608 5.086 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2ccc(F)cc2F)cc1 11247750 LNHUVVUKCMVPNY-UHFFFAOYSA-O 437.944 5.581 30 20 IKED N#Cc1ccsc1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 14108775 HUNOKOSYCMUWCF-UHFFFAOYSA-N 435.512 5.332 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)CCCc2cccs2)n(C2CCCCC2)c1C 16663440 FJVGGBLZOQWFMT-UHFFFAOYSA-N 427.570 5.048 30 20 IKED C=CCN(Cc1ccccc1)C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 30526245 JSWSWOJJHXAWLC-XMMPIXPASA-N 432.951 5.416 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CSCc2cc(-c3cccs3)on2)cc1 61191597 QQUCQYOHEZCUJT-UHFFFAOYSA-N 447.541 5.939 30 20 IKED Cc1c(C(=O)O)oc2c1C(=O)/C(=C\c1cccc(NC(=O)c3ccccc3Cl)c1)CC2 97073338 LURSHZBYQNXVRI-PTNGSMBKSA-N 435.863 5.404 30 20 IKED C=CCc1cc(CN[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc(OC)c1O 237431782 CSAXFEOMJSIALQ-HSZRJFAPSA-N 431.511 5.149 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cn(Cc2ccccc2)c2ccccc12 303395655 YZDHHTNJWZJINR-LJQANCHMSA-N 425.557 6.336 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@H]2CCN(c3ccccc3Cl)C2=O)cc1 303430003 BSSDWJZHVCNXBO-FQEVSTJZSA-N 433.895 5.230 30 20 IKED COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)Nc2ccccc2C#N)cc1 409722755 PXJXTXXROOEBQB-MNDPQUGUSA-N 431.495 5.854 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1csc(Cc2cccc(Cl)c2)n1 426672876 UKUXEFKBZBKDLG-VXKWHMMOSA-N 435.980 5.228 30 20 IKED Cc1cc(F)ccc1C1CCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 428727802 ZGGGMFFTWTZTAJ-QGZVFWFLSA-N 425.573 5.204 30 20 IKED COc1ccc(CN[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)cc1OCCCC#N 430064093 CBDSNCYRWNTNOW-IYARVYRRSA-N 447.348 5.315 30 20 IKED N#CCSc1cccc(C(=O)N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)c1 430711554 AGYQEDRSRBOWQY-UHFFFAOYSA-N 435.376 5.540 30 20 IKED N#CCCC[C@@H](NC(=O)NCc1cccc(NC(=O)C2CCCCC2)c1)c1ccccc1 431868348 NCUSCSGXEWMPQK-XMMPIXPASA-N 432.568 5.440 30 20 IKED CC(C)CNC(=O)c1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1Cl 432900845 OHUTZSRBJCDCJX-OAQYLSRUSA-N 426.948 5.282 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2S3)cc1F 437465721 GMTKKODCRVIVNJ-XMMPIXPASA-N 445.475 5.057 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC(Oc3ccccn3)CC2)c1 438312212 JIRWEGSIGWZFGB-UHFFFAOYSA-N 433.895 5.083 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](c2ccccc2)c2nccs2)cc1F 438671884 ZTIFFILMLRUBAH-QFIPXVFZSA-N 444.491 5.857 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2ccccc2CCC(F)(F)F)c1C#N 445561535 OQHFWSYUWZGHJR-UHFFFAOYSA-N 430.455 5.213 30 20 IKED Cc1c(S(=O)(=O)Nc2ccccc2S[C@H](C)CC#N)cnn1-c1ccc(Cl)cc1 460829550 MXIASUDGHCVNLB-CQSZACIVSA-N 446.985 5.029 30 20 IKED CC(C)(NC(=O)c1cccc(COc2ccccc2C#N)c1)c1nc(C(F)(F)F)cs1 465314375 INLGDDODXUPOMW-UHFFFAOYSA-N 445.466 5.278 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cc(Cl)ccc1OC(F)F 467704543 KULPRHYDEDQVJJ-LBPRGKRZSA-N 425.888 5.515 30 20 IKED C[C@H](CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C(=O)c1cccc(F)c1 468007502 XTRAYKVWKJSXNW-GOSISDBHSA-N 430.479 5.318 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)NC3CCC(c4ccccc4)CC3)ccc21 470559069 NLTMDUBHYHQTSB-UHFFFAOYSA-N 430.552 5.117 30 20 IKED C[C@@H](Nc1ccc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cc1Cl)c1ccccc1 472026922 JYUCCSUFPQMZKU-DYESRHJHSA-N 428.923 5.706 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CNC(=O)c1sc2ccccc2c1Cl 474152918 JJTBQWKXOBIJPT-CYBMUJFWSA-N 443.981 5.175 30 20 IKED Cc1c(C#N)cccc1NC(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 474655520 BTEHJOFYGJMCMB-OAQYLSRUSA-N 435.325 5.130 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)Cc1csc(NC(=O)c2ccccc2F)n1 476085494 UHBYQXGPGQEHRI-UHFFFAOYSA-N 437.540 5.568 30 20 IKED O=C(c1ccccc1C(F)(F)F)N1CCC(NCc2ccc(F)c(C(F)(F)F)c2)CC1 479427352 XWLHLGZIRGGBFZ-UHFFFAOYSA-N 448.382 5.258 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1C 480654800 VBMUXXPINWBTMT-OXQOHEQNSA-N 431.458 5.640 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccc(O[C@@H](C)CC)cc2)nnc1-c1ccco1 481146053 WSOWEAQEZHJEET-INIZCTEOSA-N 426.542 5.022 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Cl)ccc3OC(F)F)n2)cc1 484554441 FTQTXCMXHCSQDB-HNNXBMFYSA-N 434.851 5.564 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 486014797 GTQWJGDDPFKVOO-UHFFFAOYSA-N 449.485 5.547 30 20 IKED Cc1nc(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)sc1SCC#N 486041267 WNEYMGQDLIYULJ-UONOGXRCSA-N 426.592 5.365 30 20 IKED CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 488180537 IQVVAKKDSXCLIP-PMERELPUSA-N 438.936 5.014 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)Nc1ccccc1Cl 489612645 FDMLVINWRPBVAN-INIZCTEOSA-N 442.972 5.124 30 20 IKED Cc1c(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)sc2ccc(C#N)cc12 498958494 VNDUVCRUHOFLPF-SFHVURJKSA-N 430.451 5.314 30 20 IKED CCc1c(C)nn(-c2cccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c2)c1C 500443761 VCRFWPWUFWFXMX-LJQANCHMSA-N 433.462 5.286 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)o1 502121172 FVVLLLKFPVBYOI-KRWDZBQOSA-N 445.450 5.030 30 20 IKED N#CCCN(Cc1ccco1)C(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1 502532487 SKOHCANMPSFLHP-UHFFFAOYSA-N 439.471 5.815 30 20 IKED COc1cc(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)ccc1OCc1ccccc1 503822962 YAFVKIXQVPRSQJ-UHFFFAOYSA-N 429.520 5.397 30 20 IKED COC(=O)c1cc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)oc1C 505044812 DSNQOHAHYCAXEM-HXUWFJFHSA-N 437.883 5.005 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 505046815 ZNVPBPVDFPYDKB-UHFFFAOYSA-N 425.579 5.071 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@H](c3c(F)cccc3F)C(F)(F)F)cc2)nc1 505423565 VJTZPNBORGPDTE-LJQANCHMSA-N 433.336 5.057 30 20 IKED C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 506477628 NYYOBPDPWXWMHI-ZPMCFJSWSA-N 430.939 5.101 30 20 IKED CC1(C#N)CCN(C(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)CC1 506949638 JOJCZPCKCWXCPB-UHFFFAOYSA-N 442.397 5.295 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2/C=C/c2ccccc2)cc1 506955667 UVRYCRRSOWWICC-VXIGYJSRSA-N 437.543 6.041 30 20 IKED Cc1c(C(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)sc2ccc(Br)cc12 509658355 ONHUDRVJSGSIQE-PXNSSMCTSA-N 433.371 5.040 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3s2)cc(Cl)c1OCCC(C)C 513662314 ZFHRNNPVEQFYBJ-HNNXBMFYSA-N 428.941 5.873 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc3ncccc23)nnc1-c1ccc(Cl)cc1 514955250 MODNREJWRXJFNA-OAHLLOKOSA-N 449.967 5.452 30 20 IKED C[C@@H](c1c(F)cccc1F)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 516366521 KYHOALXNQSBVGK-HNAYVOBHSA-N 439.893 6.499 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccc(Cl)cc4)c3C)n2)cc1 517800734 FKRQUJMPVAHPSZ-LJQANCHMSA-N 448.935 5.456 30 20 IKED CCCC(=O)Nc1cccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 518237092 FETQNNLILZEDTE-UHFFFAOYSA-N 443.572 5.519 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCCCOc1cccc(C#N)c1 518903552 GTOQHKLLPUMDHS-UHFFFAOYSA-N 441.506 5.660 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 520161439 CEKAOCUNKNUBNX-NRFANRHFSA-N 442.563 5.461 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CCCC(=O)OC(C)(C)C 520605116 HJGIWIFLRJGMLW-UHFFFAOYSA-N 437.540 5.031 30 20 IKED Cc1cc(Br)cc(C)c1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 524382244 SHIDSLHLJGBXLN-UHFFFAOYSA-N 425.282 5.362 30 20 IKED CC(C)(C)c1ccc(Oc2ccc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cn2)cc1 525514479 WBYDBDBIIJUBPZ-LJQANCHMSA-N 439.437 6.075 30 20 IKED COc1ccccc1[C@@H](NC(=O)NCc1ccc(-c2ccccc2C#N)cc1)c1ccccn1 538079954 JWSICZXFGGHHKQ-HHHXNRCGSA-N 448.526 5.218 30 20 IKED C=CCC[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(C(F)(F)F)cc1 540430024 PHMLRDQNKANAMT-GOSISDBHSA-N 432.402 5.461 30 20 IKED COc1cc(Br)ccc1CCC(=O)Nc1ccccc1SC[C@H](C)C#N 541113605 ICRYIWIIYOKIII-CQSZACIVSA-N 433.371 5.281 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(-n2ncc3ccccc32)cc1 541161144 XFYCYHOTVSDSSI-SFHVURJKSA-N 442.544 5.437 30 20 IKED N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(F)cc3-c3nc4ccccc4s3)n2)c1 542136085 QXRZVUTZXDXSCI-UHFFFAOYSA-N 439.475 5.412 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(CCCn2ccnc2)CC1 544040385 RPMSIHLLKPANEP-UHFFFAOYSA-N 430.577 5.239 30 20 IKED C[C@H](NC(=O)C(=O)Nc1sccc1C#N)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 550807025 YTXDTPMVOBFPON-NSHDSACASA-N 449.479 5.183 30 20 IKED CCNc1ccc(C#N)cc1NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 552104771 SOMRGPCQQVUKRK-UHFFFAOYSA-N 438.940 5.518 30 20 IKED CCc1ccc([C@@H](N[C@H]2CCCc3cc(C#N)ccc32)c2cccc(S(C)(=O)=O)c2)cc1 552956743 OJHNQEJKVDTBAU-RRPNLBNLSA-N 444.600 5.281 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 553082078 PJOAYTRBGHKEQI-FTJBHMTQSA-N 431.532 5.059 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCc1ccc(Br)cc1C#N 554264173 NEENUDOHPHKKCB-LBPRGKRZSA-N 430.346 5.743 30 20 IKED C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 558019804 ZIQLFBQPONZMOF-MRXNPFEDSA-N 439.437 5.468 30 20 IKED N#CCCC[C@@H](NC1CCN(Cc2ccccc2Br)CC1)c1ccccc1 559865253 YJKIYISNUTWESM-HSZRJFAPSA-N 426.402 5.438 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1c(Cl)ccc2cccnc12 563322201 ZXXHQBMBFOIQHC-OAHLLOKOSA-N 442.009 6.012 30 20 IKED COc1ccccc1-c1csc(C2CCN(C(=O)c3ccc(C#N)c(Cl)c3)CC2)n1 566949433 GDORPDJHHYDFMY-UHFFFAOYSA-N 437.952 5.364 30 20 IKED Cc1c(C#N)c(NC(=O)CN(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)n(Cc2ccccc2)c1C 577186920 SGSVYLGKBZWPJU-BGYRXZFFSA-N 446.517 5.016 30 20 IKED Cc1noc2nc(C(C)C)cc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)c12 603991995 LCOVSPBKBXNDKG-UHFFFAOYSA-N 428.517 5.606 30 20 IKED COc1ccc(-c2nnc(S[C@H](C#N)Cc3ccccc3)n2-c2ccc(OC)cc2)cc1 604045307 NNNUACNIAZIDGP-QHCPKHFHSA-N 442.544 5.178 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccn(-c3cccc(Cl)c3)n2)cc1 604118498 XIACLZLMFJQWHC-UHFFFAOYSA-N 442.906 5.423 30 20 IKED Cc1cc(N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)n2c(nc3ccccc32)c1C#N 604270646 GKZKYSMJPNCOIQ-STQMWFEESA-N 426.364 5.235 30 20 IKED N#Cc1cccc(COc2cccc(CNC[C@H]3CCCN(Cc4cccs4)C3)c2)c1 604512458 VDMIUYALWXEGAU-XMMPIXPASA-N 431.605 5.201 30 20 IKED FC(F)(F)c1cc(N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)nc(-c2cccnc2)n1 604882234 IQAKEAOGCIKULX-GHMZBOCLSA-N 444.301 5.125 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](CC)C(=O)c1ccccc1 606150371 RJKAMMSBOCLSDT-LJQANCHMSA-N 427.957 5.450 30 20 IKED O=C(Nc1ccc(F)cc1OCC1CC1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 607219094 GCXAEHXCFBKEIN-IMRBUKKESA-N 442.375 5.646 30 20 IKED N#C[C@@H](NC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1ccc(Cl)c(Cl)c1 609460926 OZAIKHNUAYHGRC-MRXNPFEDSA-N 446.725 5.100 30 20 IKED COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)NC[C@@H](C)C#N)cc1OC 609525536 NXFGAVPNYJMUGF-NFBGKYEXSA-N 441.531 5.018 30 20 IKED N#Cc1ccc(-c2nnc(CSc3nc(-c4cccs4)nc4ccccc34)o2)cc1 610216896 JVJVYLWVPLXMPN-UHFFFAOYSA-N 427.514 5.572 30 20 IKED C[C@H](NC(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1)c1cccc(C#N)c1 610360047 QNPQKZWKPRKVPS-HFJWLAOPSA-N 425.557 5.546 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(COCC(F)(F)F)cc1 612291553 VZIHWZJCCPKWTE-UHFFFAOYSA-N 432.895 5.378 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H](c1ccccc1)C(F)(F)F 612804636 ASWAYZDRCQXXTA-WZRBSPASSA-N 436.318 5.499 30 20 IKED CC(C)CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@@H]1CCCc2cccnc21 614137451 IKFQOPYNOMDSPH-HSZRJFAPSA-N 441.535 5.708 30 20 IKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N[C@H]1CCc2cc(C#N)ccc21 618892259 KCESTIQGEYYNEA-VWLOTQADSA-N 437.499 5.313 30 20 IKED CCN(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@H](c1cccnc1)c1ccc(F)cc1F 619113281 SAFCIGPNUDTPDE-XMMPIXPASA-N 444.441 5.138 30 20 IKED N#Cc1cccc(-c2nnc(N3CCS[C@@H](c4ccccc4)C3)n2Cc2cccs2)c1 619855130 WWFODDXVRLBJQQ-JOCHJYFZSA-N 443.601 5.221 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1cccc(C#Cc2ccccn2)c1 641237513 PRXZYMCVWFAMHE-UHFFFAOYSA-N 440.934 5.249 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2cccc(F)c2)CCCC1 642156872 HJDDNUPKBKOYFO-FOLVSLTJSA-N 425.388 5.663 30 20 IKED C=CCN(C(=O)c1c(C)noc1C(F)F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 673699059 HJMORAVNZPSHRQ-UHFFFAOYSA-N 444.290 6.184 30 20 IKED C=CCN(C(=O)CN[C@H](C)c1cccnc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 679662715 XQEXBGOTIFOOJI-CQSZACIVSA-N 447.391 5.382 30 20 IKED O=C(N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 684253746 RRPREBQFTYRXID-AZGDMVHKSA-N 440.403 5.671 30 20 IKED CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=S)Nc1ccc(C#N)c(Cl)c1 726441341 MNQLHGQUNQJZES-UHFFFAOYSA-N 446.363 5.123 30 20 IKED C#Cc1cccc(NC(=S)Nc2ccc(CN3C(=O)Cc4ccc(Cl)cc43)cc2)c1 726485745 UIUYQHXKODVSOY-UHFFFAOYSA-N 431.948 5.220 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1ccccc1OC(F)F 728062518 LOLMEJIWRSORIC-INIZCTEOSA-N 437.446 5.178 30 20 IKED Cc1cc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c(C)n1-c1ccc(C#N)cc1 728271775 ATEBHXRJOHLHKP-UHFFFAOYSA-N 440.528 5.532 30 20 IKED COC(=O)CCSCc1cccc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)c1 728879280 JYJIAVZEISPFGP-UHFFFAOYSA-N 447.560 5.014 30 20 IKED N#CCOc1ccc(COC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc1 733476246 PLOFVWAIEMKZLW-UHFFFAOYSA-N 432.423 5.017 30 20 IKED CCC(=O)N1CCCC[C@@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 733680263 XYPMUIQEVGNFOT-WMLDXEAASA-N 436.364 5.084 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(O[C@H](C)c3ccccc3)cc2C)c1 733844631 RCEZLFAMWWKXCE-NFBKMPQASA-N 443.547 6.138 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 734705760 FELPJMFPMFFYRM-HSZRJFAPSA-N 433.467 5.132 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)c1 735575458 PVZHPLXHKBHXEI-KRWDZBQOSA-N 442.491 5.175 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2C)cs1 739426299 SMMJNFIZJOSMLK-POHAHGRESA-N 425.441 5.080 30 20 IKED Cc1sc2ncn(N=Cc3ccccc3OCC(F)(F)F)c(=O)c2c1-c1ccccc1 741758546 KROSOTRDEIVWCW-UHFFFAOYSA-N 443.450 5.257 30 20 IKED N#CCOc1ccc(CN[C@H](c2ccc3c(c2)CCO3)c2cc(Cl)ccc2Cl)cc1 742263226 VPVTUEJTTXTCEX-XMMPIXPASA-N 439.342 5.710 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1)c1cccc(C#N)c1 743997034 LHHJQFBPGHITJD-CQSZACIVSA-N 438.314 5.348 30 20 IKED Cc1c(Cl)cccc1NC(=O)CCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 750692723 ZDJOHHBFTFMDFS-OAQYLSRUSA-N 446.938 5.454 30 20 IKED CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 751544269 VVXFIOUDNYSMPY-QHCPKHFHSA-N 448.498 5.108 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)cc1C#N 752231398 YFNPTXRWNRWJMW-UHFFFAOYSA-N 439.472 5.118 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H](CC)Cc2ccccc2Br)c1 757655418 KAELFXRONCOODC-MJGOQNOKSA-N 429.358 5.015 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cs1 759119881 DSZYFATZDJZQOA-XFFZJAGNSA-N 449.507 5.093 30 20 IKED O=C(/C=C\c1cncc(F)c1)C(c1nc2ccccc2s1)c1nc2ccccc2s1 759181413 PMKCLDZINUPRDN-KTKRTIGZSA-N 431.517 5.855 30 20 IKED N#Cc1ccc(Oc2ccc(OC(=O)CCc3nnc(-c4ccc(Cl)cc4)o3)cc2)cc1 762092103 RVBNTYWKSCMNMB-UHFFFAOYSA-N 445.862 5.592 30 20 IKED COc1ccc(C[C@@H](C)CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC 762941056 WROIHGDRVBCQFF-NTKDMRAZSA-N 443.547 5.360 30 20 IKED N#Cc1cc(NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)c(Cl)c([N+](=O)[O-])c1 764307201 OQPPHHONMPOCPI-UHFFFAOYSA-N 429.219 5.213 30 20 IKED C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCC(OC3CCCC3)CC2)c1=S 764944262 DVESXEWRFNEYQG-UHFFFAOYSA-N 433.021 5.302 30 20 IKED CC(C)(C)CN(CCC#N)Cn1nc(-c2ccc(F)cc2)n(Cc2ccco2)c1=S 764974606 DQFPNKPKOYKGKJ-UHFFFAOYSA-N 427.549 5.081 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1 765790971 OSIUMHAAHPFFJM-QGZVFWFLSA-N 431.602 5.447 30 20 IKED Cc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)ccc1NC(=O)OC(C)(C)C 772038342 PLNUGOPGDHOJGQ-UHFFFAOYSA-N 448.548 5.513 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(Sc2ccccc2C)cc1 772972716 VZROVTYRZRYPGC-FQEVSTJZSA-N 430.529 5.506 30 20 IKED C=CCCC(=O)Nc1ccc(COC(=O)CSc2ncnc3sc(C)c(C)c23)cc1 774582723 PXBFABDYSPJXBO-UHFFFAOYSA-N 441.578 5.048 30 20 IKED COc1cc([C@@H](C)NCc2cc(Cl)ccc2OCC#N)ccc1OCc1ccccc1 775029871 DWVZMXSOYHZSRX-GOSISDBHSA-N 436.939 5.681 30 20 IKED CCN(C(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C)c1ccc(C#N)c(Cl)c1 776877888 KFAXNGQSYBYQKH-UHFFFAOYSA-N 425.916 5.176 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(N2CCCCC2)cc1 777302890 TWSBOPXUVHNQRR-HSZRJFAPSA-N 439.515 5.430 30 20 IKED C[C@H](NC(=O)N(C)Cc1ccc(CN(C)C)cc1)c1ccc(-c2cccc(C#N)c2)cc1 782754099 SKOFPQPLHRGDLP-FQEVSTJZSA-N 426.564 5.189 30 20 IKED C[C@@H](OC(=O)CCCCOc1cccc(C#N)c1)c1nnc(-c2ccccc2F)s1 783633547 KMGNYBNYWIVURC-OAHLLOKOSA-N 425.485 5.069 30 20 IKED C=C(C)[C@@H](CC(=O)Nc1cc(Br)cc(C)c1NC(=O)OC(C)(C)C)OCC 784690299 JGYGKOZFXKUEAA-MRXNPFEDSA-N 441.366 5.414 30 20 IKED COc1ccc([C@H](C)CC(=O)[C@@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 787050782 MDGVWWHLOMTUOC-PJIJBLCYSA-N 433.335 5.082 30 20 IKED CCOc1cc(/C=C(/C(=O)c2cccc(OC)c2)c2ncc[nH]2)ccc1OCC(F)(F)F 787169917 QJNPGPXJSBBXNV-WQRHYEAKSA-N 446.425 5.182 30 20 IKED COc1ccccc1-c1ncc(/C=C\C(=O)c2ccc(OC[C@H]3CCCCO3)c(F)c2)cn1 792888125 XJHHENMVCXTQFM-YBNHLDJLSA-N 448.494 5.135 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)O[C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)o1 793123982 GLDYAOVKDUNOJN-QFIPXVFZSA-N 435.911 5.057 30 20 IKED CC(C)n1nccc1/C=C1/CC(C#N)(c2ccccc2)C/C(=C/c2ccnn2C(C)C)C1=O 794933994 OIEBRYLYKFZQRH-HHQODBOJSA-N 439.563 5.533 30 20 IKED C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1CCC([C@@H](F)c2ccccc2F)CC1 796131267 BGNVBESNXLMSSN-IINYFYTJSA-N 448.382 5.271 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(Cl)cc2)c1 796748179 QJGHWXKBLFRLSJ-FQEVSTJZSA-N 436.964 6.154 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)s1 797570220 DUARQMKHNLLWKK-FPOVZHCZSA-N 447.560 5.285 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 806801066 RDKRBQLHKHIEDA-UHFFFAOYSA-N 441.251 5.179 30 20 IKED Cc1csc(NC(=O)c2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)c1C#N 809004656 DVGNPOBEWZOBHK-UHFFFAOYSA-N 430.485 5.174 30 20 IKED CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccccc2-c2ccccc2C#N)CC12CCC2 816855799 SEUYIOJVGDGPOS-HXUWFJFHSA-N 445.563 5.277 30 20 IKED CCOc1c(Cl)cc(C=NOCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1OC 826560540 SVFARWRYVJDXAW-UHFFFAOYSA-N 446.975 5.983 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)nc2ccccc21 854258456 CKMXGXMMDAPUMR-VIFPVBQESA-N 427.398 5.037 30 20 IKED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(SC(F)(F)F)c1 864010099 LHQZXEYFWXEWDM-OAHLLOKOSA-N 433.499 6.055 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c(C)c2c1 915088167 HWIMJJBTHFSBTB-RUZDIDTESA-N 436.511 6.171 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 915353987 SKVCMZMUSWIHBG-DEOSSOPVSA-N 449.476 6.557 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2nc(NCc3ccco3)ncc2Cl)cc1 915862080 IYLKKGYYTHPEEB-FQEVSTJZSA-N 443.894 5.243 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1/C=C\C(=O)c1ccc(OCCCC(=O)O)cc1 916155249 PUXILIKFFJZZPM-YPKPFQOOSA-N 438.911 5.033 30 20 IKED Cc1nc2ccccc2c(=O)n1N=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 916292718 JGUXHCUWXWNMAV-UHFFFAOYSA-N 439.906 5.093 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2nc3ccccc3s2)s1 916923429 OLKAASAKBBKGGN-CQSZACIVSA-N 447.541 5.385 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)cc1 916951157 XIZLMNDNNRPMKS-VGOFRKELSA-N 449.551 5.437 30 20 IKED Cc1nc(NN=C2CCC3(CC2)C(=O)Nc2ccccc23)c2c3c(sc2n1)CCCC3 917535667 IIISFKZHQFOGHO-UHFFFAOYSA-N 431.565 5.111 30 20 IKED N#Cc1ccc(-c2csc(NS(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)n2)cc1 917845108 QBNWYIYLTVQSGW-UHFFFAOYSA-N 444.752 5.443 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1 919904813 UHMGUBIZPQNBRZ-VWLOTQADSA-N 443.522 5.351 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3ccc4occ(Cl)c4c3)CCC2)cc1 1785936774 GLHVFXYAJQBOQZ-UHFFFAOYSA-N 435.911 5.384 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4cccs4)cc3)CCC2)cc1 1788163714 NHTZVHVNYVCHPL-OUKQBFOZSA-N 427.529 5.081 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)C34CC(c5ccccc5)(C3)C4)cc2)CCC1 1792377758 ARCBPPCTVQXFDP-UHFFFAOYSA-N 446.616 5.162 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(C)ccc2C)cc1 1800513242 CXVDZDNXLISOKE-TWFMJERGSA-N 445.607 5.114 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccoc3s2)[nH]n1 1819305039 BVIYLDKZDPAMKO-AEFFLSMTSA-N 438.553 5.292 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2Cl)n[nH]1 1820425860 OMNBZKPYIKCFDC-UZLBHIALSA-N 426.948 5.137 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ccn(C)c23)CC1 1828828024 BNGGLDSFVIJSMY-ZCYQVOJMSA-N 447.623 5.180 30 20 IKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(Cl)c3)CC2)c1 1829973206 XPHGDHQCAGITLL-XMMPIXPASA-N 449.982 5.067 30 20 IKED N#Cc1ccc(F)c(CSc2nnc(COc3ccccc3F)n2-c2ccccc2)c1 10440613 AXKLPNZZTAUBIG-UHFFFAOYSA-N 434.471 5.288 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2ccccc2)c1 11159340 QPZHRYHXLFQISG-UHFFFAOYSA-O 430.380 5.949 30 20 IKED N#CCSc1ccccc1NC(=O)COC(=O)c1cc2sc3ccccc3c2s1 18655835 OCQPZNSMAQNKOW-UHFFFAOYSA-N 438.555 5.527 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccc(Cl)cc3)o2)cc1 23426454 FTCZGQKMXOKMFG-HNNXBMFYSA-N 426.929 5.126 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc(C(C)C)cc2)cc1 23603575 RMYSHJMHDZSAJG-UHFFFAOYSA-O 434.629 6.046 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2[nH]c(C)c(C(C)=O)c2C)[n+]2cccc(C)c2)cc1 28793681 SJEBORITCJKTME-UHFFFAOYSA-O 434.585 5.043 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)nnc1C1CC1 36189316 CEINTSHWTKCFKL-FQEVSTJZSA-N 438.984 5.775 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cn4nc(C)cc4C)cc3)n2)cc1 61069802 XRZCWRZZRRAXHA-JOCHJYFZSA-N 442.544 5.170 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(OCc2cccc(F)c2)cc1 63401473 QMQUHRWLKQDKGK-UHFFFAOYSA-N 429.495 5.174 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)c1 303570724 BMWOYGJBAPWOAS-WJOKGBTCSA-N 432.545 5.054 30 20 IKED C=CCn1c(SCC(=O)NCc2cccc3ccccc23)nnc1-c1ccc(Cl)cc1 410313829 XYOSSACHZPWBHJ-UHFFFAOYSA-N 448.979 5.346 30 20 IKED C[C@H](NC(=O)NCc1ccc(-c2ccccc2C#N)cc1)c1nc(C(F)(F)F)cs1 426242076 WDXMZZFQAKESLD-ZDUSSCGKSA-N 430.455 5.261 30 20 IKED CCCCC1CCC(c2cc(NC(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)n[nH]2)CC1 426434200 VZQREVPXVXYJSS-UHFFFAOYSA-N 435.572 5.252 30 20 IKED CCN(C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)[C@@H](C)c1ccc(F)cc1 426693585 FGLJNCYFRQORNM-KRWDZBQOSA-N 431.467 5.038 30 20 IKED CCSc1cc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)ccn1 429463215 SWHAGNYBFSKKKK-UHFFFAOYSA-N 432.549 5.274 30 20 IKED N#CCC[C@H](NC(=O)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1)c1ccccc1 429500621 CPDKXFHGTHXRMP-IBGZPJMESA-N 427.430 5.117 30 20 IKED N#CCSc1cccc(C(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)c1 431020778 DNIHAPVLLLGKQY-UHFFFAOYSA-N 438.556 5.144 30 20 IKED C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N[C@@H](CCCC#N)c1ccccc1 431287458 MADHIKOFMNKWNQ-YWZLYKJASA-N 432.337 5.254 30 20 IKED Cc1c(C#N)cccc1NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 432261561 DPNKBAMOAXCLRQ-RXVVDRJESA-N 430.474 5.090 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)c1cc(Cl)ccc1C#N 436008545 FFGSJKGWESFSHJ-UHFFFAOYSA-N 432.332 5.486 30 20 IKED CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 438118401 XPUHXBOZACUGGH-WIYYLYMNSA-N 425.916 5.209 30 20 IKED CN(C)Cc1ccc(-c2ccccc2CNC(=O)N[C@H](CCC#N)c2ccccc2)cc1 438855500 IYSNRFSZSKPKRL-AREMUKBSSA-N 426.564 5.259 30 20 IKED FC(F)(F)COc1cc(OCC(F)(F)F)cc(-c2nc([C@H]3CCC(F)(F)C3)no2)c1 439564286 CMRRZUJGQHIFGR-VIFPVBQESA-N 446.294 5.522 30 20 IKED C[C@H](Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 439598308 RSYIBYGNDWBHFB-KRWDZBQOSA-N 448.454 5.273 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c1 441519919 AHQYBYFZVNDVMR-NRFANRHFSA-N 446.894 5.237 30 20 IKED C=CCC[C@@H](NC(=O)N[C@@H](C)c1ccc(NC(N)=O)cc1)c1ccc(C(F)(F)F)cc1 442299189 WUAQBIVJPVOITB-IFXJQAMLSA-N 434.462 5.264 30 20 IKED FC(F)(F)COc1ccc(CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cn1 444733289 MMVZSQCYYIGTDB-AWEZNQCLSA-N 446.313 5.825 30 20 IKED O=C(Nc1cnn(CC(F)(F)F)c1)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444860286 NETNIMFFYZTIOO-GFCCVEGCSA-N 448.289 5.279 30 20 IKED COc1ccc(C(=O)Nc2c(C#N)c(SC)nn2-c2ccccc2)cc1OC1CCCC1 445565378 KLHZWYWIIMMYRQ-UHFFFAOYSA-N 448.548 5.048 30 20 IKED C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 460955994 ZTNBBYIDAMYHSH-JTSKRJEESA-N 441.501 5.446 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(C3CC3)nc3ccc(F)cc23)cc1 463160784 GFIUUXFVRWOXOY-UHFFFAOYSA-N 429.495 5.318 30 20 IKED Cn1c(Cc2cccs2)nc2cc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)ccc21 464480645 ZIJRZUXKOKZEGR-INIZCTEOSA-N 440.450 5.129 30 20 IKED CSc1cccc([C@H](NC(=O)N[C@H](C)c2ccc(C#N)cc2)c2cc(F)ccc2F)c1 465650555 ALPVDZFDQDFZGL-CMJOXMDJSA-N 437.515 5.708 30 20 IKED Cc1cnc([C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C2CC2)s1 466115009 IGNNIIBONIQLPA-FQEVSTJZSA-N 438.940 6.042 30 20 IKED Cc1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C2CC2)n1 467190756 LGQBAUGHOPDESN-CQSZACIVSA-N 429.332 5.583 30 20 IKED Cc1ccc(-n2ncc(C(=O)Nc3cc(F)c(OC(F)F)cc3F)c2C(F)(F)F)cc1 468219091 AQOQQZLFQIECFW-UHFFFAOYSA-N 447.310 5.331 30 20 IKED O=C(c1ccc(Br)c(Cl)c1F)N(CCC(F)(F)F)CC(F)(F)F 468532865 YANMSGOCQSYBQN-UHFFFAOYSA-N 430.545 5.199 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)S(=O)(=O)c1ccc(Cl)c(C#N)c1 468806765 DEFBJLXNNHENBJ-CQSZACIVSA-N 431.970 5.025 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)ccc21 469950911 SAWYYZKDBAPHJH-ROUUACIJSA-N 442.346 5.319 30 20 IKED Cc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(Br)s1 471190315 FQVVNKZJTYPUNR-UHFFFAOYSA-N 441.350 5.716 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2ccccc2C(F)(F)F)nnc1-c1ccccc1OC 473783067 RHTMXWXJQUQWGN-AWEZNQCLSA-N 447.482 5.522 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 474154466 OQCGOHSSXBTFTE-GOSISDBHSA-N 445.544 5.099 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 475570669 JSXPYSYJEWEZFS-HXUWFJFHSA-N 437.584 5.664 30 20 IKED CC(C)(C#N)c1ccc(C(=O)Nc2ccc(Br)cc2OC(F)(F)F)cc1 476995657 YKIVEQKGZVIGCW-UHFFFAOYSA-N 427.220 5.401 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 477176038 NUXGPWOTZZWGDV-UHFFFAOYSA-N 437.421 5.481 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCc3nc(C4CC4)cs3)cc2Cl)c1 483327709 UBEKDYYPHPDWKO-UHFFFAOYSA-N 438.940 5.446 30 20 IKED CC[C@@H](N[C@@H](C)c1ccc(OC(F)F)cc1OC(F)F)c1nc(C(F)(F)F)cs1 483846589 CEQIKEIBMYFADO-GZMMTYOYSA-N 446.388 6.167 30 20 IKED Cc1ccc(C)c([C@H](C)N(C)C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 485273489 OSJNRGRNAQKTOU-IBGZPJMESA-N 427.504 5.126 30 20 IKED C[C@@H](Cc1ccc(Br)cc1)C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 498161291 BONSJHLITSLIHN-AWEZNQCLSA-N 439.275 5.090 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1Cl 498879419 HVRSDWHOAGTUEK-SFHVURJKSA-N 447.926 5.019 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H](c3cccc(F)c3)c3ccccn3)cc2)c1 499875362 XCWYTHIKWLSTDJ-VWLOTQADSA-N 438.462 5.796 30 20 IKED COc1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c(C(F)(F)F)c1 503035813 VJNJNZCSMFMMCF-UHFFFAOYSA-N 426.394 5.417 30 20 IKED COCCSc1ccc([C@@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 504694225 FWDISVJMUCWKLU-GOSISDBHSA-N 448.613 5.939 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)c2cnn(-c3ccccc3)c2)cc1Cl 504758273 ZKKPTPXTRCMCDK-JOCHJYFZSA-N 440.890 5.003 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Nc3ncc(-c4ccccc4)s3)n2)cc1 505432054 DGTQCDHBKMWTGJ-KRWDZBQOSA-N 427.514 5.051 30 20 IKED CCOC(=O)c1c([C@H](C#N)C(=O)Nc2cc(Cl)ccc2Cl)nc2ccccc2c1C 505432723 KZCWMYLIHIVGTI-HNNXBMFYSA-N 442.302 5.273 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccc3cccc(Cl)c3n2)nnc1-c1ccco1 505452000 VTRDERRYVPNZNR-UHFFFAOYSA-N 439.928 5.047 30 20 IKED CCOC[C@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 506783096 WSSBWCFZZCXZCA-IBGZPJMESA-N 427.932 5.071 30 20 IKED CC1(C#N)CCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@H](F)C(F)(F)F)(C4)C3)CC1 507840480 IFTLHKYNQQHELJ-UABBMWSGSA-N 436.440 5.261 30 20 IKED Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 507888597 MZICMLYSUZWWTL-UHFFFAOYSA-N 440.478 5.473 30 20 IKED O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@H]1C[C@@H]1C(F)F 509307852 UWIFWGCXPZCDGJ-LPEHRKFASA-N 429.229 5.345 30 20 IKED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509898754 MTCGQHNZNHDYJU-IBGZPJMESA-N 439.515 6.303 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 510077583 DCKBPMDXRDOJDH-DYVFJYSZSA-N 425.451 6.035 30 20 IKED Cc1nc(SCC(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)c(C#N)c(C)c1C 511353394 YRHWVTYWXPOLIG-UHFFFAOYSA-N 442.654 5.131 30 20 IKED C=CCN(C(=O)Cc1csc(CC)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 512299842 PMQFVXXCAKSGTF-UHFFFAOYSA-N 438.405 5.898 30 20 IKED Cc1ccccc1OCCCC(=O)Nc1ccc(CN[C@@H](C)c2ccc(C#N)cc2F)cc1 512659045 CFETWQYJCVVDCI-FQEVSTJZSA-N 445.538 5.654 30 20 IKED CCN(CC)c1nc2sc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cc2s1 512974351 FDDGQMVOAOJNPP-CYBMUJFWSA-N 439.591 5.213 30 20 IKED CC(C)N(Cc1cccc(F)c1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 513988464 YVYGYKFDOXMGFH-UHFFFAOYSA-N 430.483 5.392 30 20 IKED CCOc1ccc(-c2nc(CC(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)cs2)cc1 514532322 OMOYUQNSVVSTOY-UHFFFAOYSA-N 446.557 5.385 30 20 IKED CN(C)C(=O)c1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 515797642 FCDATIAUVOEDIR-UHFFFAOYSA-N 448.910 5.027 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Sc1ccc(Br)cc1 517518000 NYCLHVKAQISGFD-ZIAGYGMSSA-N 435.412 5.963 30 20 IKED C[C@H](COc1cccc(F)c1)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 518180085 MYUDRNQTOJCTER-GOSISDBHSA-N 433.483 5.060 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 518751925 ACUZSAFJILMHMM-RDTXWAMCSA-N 431.508 5.881 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1csc(-c2ccoc2)n1 519416255 MPLMVKTWMJMYKM-CQSZACIVSA-N 429.592 5.527 30 20 IKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 521834412 PLQPSURDGMQFER-LBPRGKRZSA-N 445.363 5.743 30 20 IKED COc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 523422217 HMBZCUZLZRSOAP-GOSISDBHSA-N 447.922 6.034 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)c1 523947371 ZYLFSWGQCDUHRK-VWLOTQADSA-N 439.902 5.918 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 524565288 OEKBZEZNTSJGCU-RTBURBONSA-N 446.576 5.795 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 524565436 TWBLXZNGFXAXES-RYUDHWBXSA-N 426.344 6.267 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(Cn2cnc3ccccc32)c1 525235903 FWLVCXYBSFYUDH-UHFFFAOYSA-N 437.547 5.076 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2Cl)c1 531099820 ZLVQAVSNSRDCOB-UHFFFAOYSA-N 431.706 6.350 30 20 IKED C=C(C)Cn1c(SCc2nc(Cc3ccccc3Cl)no2)nnc1-c1ccco1 531943507 SXGRNZUFKKJXKE-UHFFFAOYSA-N 427.917 5.034 30 20 IKED C[C@@H](C#N)CN(C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)C1CC1 533141621 ZITMZMDVCJVZQK-ZDUSSCGKSA-N 438.534 5.120 30 20 IKED Cc1ccc(C(=O)N[C@](C)(C#N)CCc2ccccc2)cc1NC(=O)Nc1ccccc1 533367416 MAAYPCGZLOUHQZ-SANMLTNESA-N 426.520 5.284 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)N(C[C@H](C)C#N)C1CC1 533590085 HPGSLLHVJKXMCF-CQSZACIVSA-N 444.457 5.422 30 20 IKED CC[C@@H](C)n1ncc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1C1CC1 534968367 NWTZDSQIKUFQSD-GOSISDBHSA-N 443.551 6.021 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 535616435 JOWWOUIHCKAVSP-RBUKOAKNSA-N 428.557 6.054 30 20 IKED COCCOc1c(Cl)cc(NC(=O)Nc2cccc(OCCCC#N)c2)cc1Cl 540233130 DVPHROVYBUHJDW-UHFFFAOYSA-N 438.311 5.345 30 20 IKED CCc1nn(C)cc1C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 542169876 XBFMDVCEIPWLOD-ZDUSSCGKSA-N 447.301 5.054 30 20 IKED N#C[C@H](C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)cs1 542880467 FWJGUXBKKURJAH-CYBMUJFWSA-N 449.822 5.463 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 542901511 IAOZCPJFXKUOCX-INIZCTEOSA-N 436.327 5.469 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2nc3ccccc3n2C2CC2)cc1 546845225 UYIZOVFJBLPDSF-UHFFFAOYSA-N 438.556 5.465 30 20 IKED C=C(C)[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(F)c(F)c1 547492132 ZFWIZUZKQNTZBU-HXUWFJFHSA-N 439.428 5.029 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(c2ncc(C)s2)CC1 555257029 BHYBPZBZTNUVES-UHFFFAOYSA-N 430.581 5.218 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H](C)Cc1ccccc1C(F)(F)F 561908000 VGZVMXOOAVBNAM-DLBZAZTESA-N 449.542 5.459 30 20 IKED CC(C)(CCC#N)CNC(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 562136318 KTAAUIBFCVECEH-UHFFFAOYSA-N 438.959 5.271 30 20 IKED C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@@H]1c1csc(C)n1 567401413 FZQOJDXRQDSQLL-HRAATJIYSA-N 439.585 5.109 30 20 IKED CCOc1cc(-c2nnc(Sc3nccc(C#N)c3Cl)o2)cc(OCC)c1OCC 569486675 ZWYHLKFIKLJQOI-UHFFFAOYSA-N 446.916 5.004 30 20 IKED Cc1cccc(O[C@H](C)c2nnc(N3CCC(C)(C#N)CC3)n2Cc2cccs2)c1C 570402692 FEWSHRLKJJDNKR-LJQANCHMSA-N 435.597 5.275 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N(Cc3ccc(F)cc3)C3CCOCC3)cc2)ccn1 573529164 VLFSVRRNNTUMKS-UHFFFAOYSA-N 446.482 5.098 30 20 IKED CCn1cc(Br)cc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 588739098 WAOPMYRYKSYGSF-LLVKDONJSA-N 442.260 5.389 30 20 IKED CCc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cnn1-c1cccc(Cl)c1 603623278 QIEHDDPDWDRDSX-UHFFFAOYSA-N 443.894 5.399 30 20 IKED Cc1ccc(N2CCC(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)nc1 604387592 KUDGCGBUGXGRAH-HSZRJFAPSA-N 444.966 5.554 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)n1 608845848 JFQZWCHXGAWKCD-AWEZNQCLSA-N 430.938 5.500 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccc(C(C)C)cc3)o2)c1 608930456 XUHSUYWEBLZMFL-IBGZPJMESA-N 448.592 5.904 30 20 IKED Cc1sc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)nc1-c1ccc(F)cc1 609054925 KCRYOAGDKIHBDF-UHFFFAOYSA-N 433.464 5.554 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(-c2ccccc2)nc1O 609060425 DTUHAWMNQPJETK-UHFFFAOYSA-N 435.483 5.466 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3cccc(CN4CCCC4)c3)c2)cc1 609208684 FOIURTHDYRIFFC-UHFFFAOYSA-N 426.520 5.268 30 20 IKED Cc1ccc(C(=O)N[C@@H](CC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c2ccccc2)cc1 609228539 XXKATHOLRUYLKQ-SANMLTNESA-N 439.559 5.165 30 20 IKED CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1SC[C@H](C)C#N 609377963 SFVWTUOQRGUISK-VWKPWSFCSA-N 444.000 5.375 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC(c2ccc(F)c(F)c2)CC1 609385538 ZTPZADCLIDHGHZ-MRXNPFEDSA-N 429.536 5.035 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nc2ccccc2n1C(F)F 609434220 GKNJOZWNJTZITL-HNNXBMFYSA-N 447.445 5.978 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)CCCc1cc(-c2ccccc2)no1 609436044 FXSJHTUDTRWSJR-SFHVURJKSA-N 434.565 5.832 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cccc2ccccc12 609436869 WZSUCIMTYJGZOI-GOSISDBHSA-N 435.483 5.320 30 20 IKED COc1ccc(CCNC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC(F)F 609438650 NDVJCSGJUDTVSI-AWEZNQCLSA-N 435.496 5.055 30 20 IKED N#C[C@H](NC(=O)Cn1c(Cc2ccccc2)nc2ccccc21)c1cccc(C(F)(F)F)c1 609460825 VHFQUJCIVJSCBI-NRFANRHFSA-N 448.448 5.027 30 20 IKED C[C@@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1c(Cl)cccc1Cl 609579703 POQGDFXLTLRYPI-MRXNPFEDSA-N 439.342 6.381 30 20 IKED N#Cc1ccc(Oc2ccc(N[C@@H]3CCN(c4ccc(C#N)cc4)C3=O)cc2Cl)cc1 609633664 KNEAMCCAMNCPCB-JOCHJYFZSA-N 428.879 5.093 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)CCc2c(C)nc(O)c(C#N)c2C)cc1 610191338 LKLXKHMPQNNYFF-IBGZPJMESA-N 443.547 5.104 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(OCc2ccc(F)cc2)CC1 611261365 OIKHQWVVAUHNEC-QGZVFWFLSA-N 427.545 5.291 30 20 IKED C[C@]1(C#N)CCCN(C(=O)Nc2ccc(COc3ccc(Br)cc3)cc2)C1 612295041 NUILXVBUKPICMR-OAQYLSRUSA-N 428.330 5.186 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 615790962 UVRXJOVWZOXEQC-UHFFFAOYSA-N 435.474 5.115 30 20 IKED N#Cc1cc(NC(=O)N2CCC23CCOCC3)ccc1Oc1ccc(C(F)(F)F)cc1 617995331 POQNCTDEXSNRNL-UHFFFAOYSA-N 431.414 5.156 30 20 IKED Cc1ccc(F)c(C(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1 622517361 HBASJSQTPNXZCS-KRWDZBQOSA-N 435.339 5.385 30 20 IKED Cc1cc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C)n1CC(F)(F)F 642175264 BJUSTOYNUHPTSC-GHMZBOCLSA-N 438.334 5.307 30 20 IKED CC(C)NC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 642282173 QSBWJMGPJKLHTB-HNNXBMFYSA-N 446.454 5.335 30 20 IKED O=C(Nc1cc(Cl)ccc1C(F)(F)F)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 672811666 CRZAOXIFSARTCG-RKDXNWHRSA-N 428.682 5.563 30 20 IKED Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 683722244 IMBRTRFIGVKYIZ-FRRDWIJNSA-N 436.318 5.371 30 20 IKED Cc1cc(C)c(NC(=O)CCCOC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c(C)c1 728108875 GRVMPTBJHPKSKK-UHFFFAOYSA-N 446.503 5.231 30 20 IKED N#C[C@@H](NC(=O)c1ccc(C2SCCS2)cc1)c1ccc(OCc2ccccc2)cc1 729370013 PICMJHNTAFSODR-HSZRJFAPSA-N 446.597 5.739 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 729410027 HLZXDGUFJDPHFC-UHFFFAOYSA-N 446.507 5.190 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)/C=C\c2ccccc2C#N)c(C(F)(F)F)c1 729655833 VNWBSHAAWNKVCC-FLIBITNWSA-N 431.414 5.576 30 20 IKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2Cl)o1)c1nc2cc(F)ccc2s1 730418726 YQMRLBRNIOKJAW-CQSZACIVSA-N 425.872 5.553 30 20 IKED Clc1cncc(NN=C2CCCc3nc(-c4ccccc4Br)sc32)n1 730433322 KOEIETVYSRQAKS-UHFFFAOYSA-N 434.750 5.169 30 20 IKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1C1CCC1 730462528 YVIONQSVBOHHHT-HXUWFJFHSA-N 443.519 5.040 30 20 IKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccco1 730523804 MABZJQCVTXIPTG-OAQYLSRUSA-N 433.533 5.003 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2c(ccc3ccccc32)[nH]1 731064072 QFNJZHNNGHFAMU-MRXNPFEDSA-N 443.528 5.368 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(c2cccc(F)c2)CCCC1 731071867 RSYDIKADJZUPCG-QGZVFWFLSA-N 440.540 5.214 30 20 IKED COc1cc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1 731645282 ITGQTOQPPVTLGM-FQEVSTJZSA-N 440.421 5.288 30 20 IKED C#CCN(C(=S)Nc1cccc(Cl)c1C)[C@@H]1CCOc2ccc(Br)cc21 733087457 RFPZXYLCJUYZKQ-GOSISDBHSA-N 449.801 5.567 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc(-c3ccccc3)ccc2Cl)ccc1OC 733230845 SPYBZWSCTVOFGR-FQEVSTJZSA-N 434.923 5.627 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)NC2(c3ccc(Br)cc3)CCC2)c1 733846800 ILTIHPGGLWAMDN-LJQANCHMSA-N 442.357 5.009 30 20 IKED CC1C/C(=C/c2nccn2Cc2ccccc2)C(=O)/C(=C/c2nccn2Cc2ccccc2)C1 734095420 AMGOTIDZCRWPNO-BCRMPINCSA-N 448.570 5.642 30 20 IKED Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c(C)c1 734586339 QAMOHLAHFITCHI-FQEVSTJZSA-N 442.515 5.247 30 20 IKED Cc1ncc2c(n1)CCC[C@H]2NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 734932804 SDSKDNGCOSJOHH-OAQYLSRUSA-N 433.899 5.302 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cccc(Cl)c2Cl)cs1 734980350 JMRRMIVBLNNMIC-FLIBITNWSA-N 431.344 6.339 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 743232331 NQWXTYXQVHLZKP-GOSISDBHSA-N 436.556 5.586 30 20 IKED Cc1ccc(N2C(=O)CC[C@H](C(=O)[C@@H](C#N)c3nc(C)cs3)[C@H]2c2cccs2)cc1 744010024 CBOJQCOZXJGOHE-UEXGIBASSA-N 435.574 5.182 30 20 IKED CC(=O)CCc1ccc(OCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 745313803 XGSMYVXZAJFZFT-QGZVFWFLSA-N 446.450 5.092 30 20 IKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1c(Cl)cccc1Oc1ccccc1Cl 745551689 OPSIQNYOBFGRTE-RCDICMHDSA-N 449.334 5.385 30 20 IKED C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 746659597 LNCVRPQXVMUNCY-IIBYNOLFSA-N 438.358 6.874 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1 748486089 GFZLWHOOXLLFFT-INIZCTEOSA-N 445.910 5.039 30 20 IKED C[C@H](OC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccc(C#N)cc1 748685422 QCCUQFJTPOVLAW-GAJHUEQPSA-N 432.907 5.377 30 20 IKED C=CC[C@H](NC(=O)C(=O)Nc1ccc(Sc2ccc(Cl)cc2)cc1)c1ccncc1 749724857 IZLBHVCOVNNLSH-NRFANRHFSA-N 437.952 5.258 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c(C)c3ccccc3oc2=O)cc1 750196651 ZXEFBDKJFQUOGE-UHFFFAOYSA-N 426.428 5.026 30 20 IKED O=C1N/C(=N/C2CCCC2)S/C1=C/c1cnc(-c2ccc(Br)cc2)s1 751525525 WTCNKFJVBBZIDK-OQLLNIDSSA-N 434.384 5.075 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)c(C)c2c1 752377041 YNCROGJIKAULTK-UHFFFAOYSA-N 429.501 5.510 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccccc1SC(F)(F)F 755277088 MEBRUUMIPVWMHD-CYBMUJFWSA-N 426.485 5.710 30 20 IKED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1cc(Br)cc(Br)c1O 756766652 ARKMIJKPJRLRPF-PXAZEXFGSA-N 438.163 5.613 30 20 IKED N#Cc1cccc(COc2cccc(/C=C\C(=O)c3cc(Br)ncc3F)c2)c1 762428386 YSTHMGGXBFOYPU-FPLPWBNLSA-N 437.268 5.330 30 20 IKED N#Cc1ccc(OCCCSc2nnc(-c3ccc(F)cc3)n2Cc2ccco2)cc1 765346462 ACNZMSWGABPFDU-UHFFFAOYSA-N 434.496 5.158 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccnc(CNC(=O)OC(C)(C)C)c3)n2)cc1 766276530 SJOITPSQBIWUMK-LJQANCHMSA-N 448.548 5.028 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1 773261611 PQZZSGTUHZOAOC-CYXNTTPDSA-N 443.522 5.601 30 20 IKED C[C@H](Oc1cccc2ccccc12)C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 774037474 LPXRPHHIQAMVPF-KBXCAEBGSA-N 443.528 5.073 30 20 IKED CC(C)N(Cc1ccc(NC(=O)c2ccccc2SCC#N)cc1)C[C@H]1CCCCO1 775560270 QSRLAMNCZFKWTR-JOCHJYFZSA-N 437.609 5.334 30 20 IKED COc1ccc(C2(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)CCCC2)cc1OC 777303979 JCCCDNKCIBYYJA-INIZCTEOSA-N 440.952 5.655 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 777827193 XTBVUQRYQCRIAI-HXUWFJFHSA-N 444.531 5.221 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1 778713300 DZCCCCGUCJBHKH-GHTZIAJQSA-N 449.551 5.034 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCCCN3Cc3ccccc3)n2)cc1 779194769 NRSASOLUCPEBGK-GGAORHGYSA-N 431.561 5.050 30 20 IKED CC(C)(C)n1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c(Br)n1 780312306 JWUJYXPPUNPDJM-CYBMUJFWSA-N 429.343 5.014 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(C)(c2cccc(Br)c2)CC1 780677396 JAYCITHTNGLYTD-MRXNPFEDSA-N 442.357 5.326 30 20 IKED CC(C)S[C@H]1CCCC[C@H]1OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 781498805 QPJSSDYVJYTRPS-QUCCMNQESA-N 443.569 5.019 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 791772097 WDPKRQQDUUMBQH-KRWDZBQOSA-N 425.275 5.093 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(NC3CCN(c4ccc(C#N)cc4)CC3)ccc21 796915664 CMBDOTQHRDFKHW-UHFFFAOYSA-N 432.568 5.327 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 799225717 OJDVFHHTBUULEX-OAHLLOKOSA-N 435.421 5.489 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)s1 810715267 GOVKIDSNMRDZFR-UHFFFAOYSA-N 441.431 5.142 30 20 IKED COc1ccc([C@@H](O)C2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)cc1 812936709 UQVMGISIDTULTJ-UZUQRXQVSA-N 439.581 5.067 30 20 IKED CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)CC1 877703500 MGONFLJBJMFWHX-UHFFFAOYSA-N 447.520 5.079 30 20 IKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(F)cc1 915353646 VSSZLYDBSJPRPP-ZEQRLZLVSA-N 439.494 5.126 30 20 IKED COc1cc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1O 916158111 WWVOGTUJIJMVJF-UITAMQMPSA-N 442.298 5.856 30 20 IKED Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1csc(-c2ccccc2)n1 916276686 GUJLDGIZGZGHMR-UHFFFAOYSA-N 432.361 5.546 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)n1C1CCCCC1 916888025 SSAQCODPRMXPKH-FQEVSTJZSA-N 445.535 5.886 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1sc2cccc(F)c2c1C 916901311 DVDCRDQJHSHTSS-GFCCVEGCSA-N 430.888 5.280 30 20 IKED C/C=C\c1ccc(OCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(OC)c1 917042865 ICGKOFKQODEADK-JZIMQPMSSA-N 446.450 5.612 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(CC)Cc2cccc(Cl)c2)c1=S 917462368 IPIXMPFZJRGXHP-UHFFFAOYSA-N 428.989 5.409 30 20 IKED FC(F)(F)COc1ccc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)cc1 921257061 LFFWFZXDCVADJI-UHFFFAOYSA-N 447.269 5.364 30 20 IKED CC(C)CCc1nc(CN(Cc2ccc(C#N)cc2)c2ccc3nc(O)[nH]c3c2)cs1 1167789818 YMUCNOFWAZXUOR-UHFFFAOYSA-N 431.565 5.392 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4nccn4c3)CCC2)cc1 1785841859 AMYZSWDZNQAFNJ-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OCCC)cc3)CCC2)cc1 1786679477 KKFZKDNFWYJDQH-UHFFFAOYSA-N 438.593 5.142 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(C)ccc4[nH]3)cc2)CCC1 1788964343 ZLPYDEFNBOBXDR-SFHVURJKSA-N 446.551 5.025 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cn4cc(F)ccc4n3)cc2)CCC1 1789288929 CEXKDOUXNPOZLQ-UHFFFAOYSA-N 448.542 5.214 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(F)cnc3Cl)cc2)CCC1 1789716099 IRIKDEMSHTWEOA-LJQANCHMSA-N 441.934 5.390 30 20 IKED C[C@]1(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)CC=CCC1 1790708290 FAULPGUKBUBTRW-SANMLTNESA-N 427.548 5.247 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3c(Cl)cccc3OC)cc2)CCC1 1792145979 FEWYUCBXAQJCPZ-UHFFFAOYSA-N 448.897 5.308 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c(-c2ccc(F)cc2)c1 1794763948 OKAALVKKQSERRE-KOUNCHBCSA-N 437.559 5.065 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2csc(C)c2C)n[nH]1 1816614560 PLJAUQMMKKQGED-FXAWDEMLSA-N 426.586 5.162 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCOc2ccccc2)CC1 1826361394 QQXGEPGELBFCNL-DEOSSOPVSA-N 440.628 5.068 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ncccc23)CC1 1828025954 DMLYIJCKCGSROX-AREMUKBSSA-N 445.607 5.237 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2scnc2C2CC2)CC1 1828822534 IOQZPHNPLHCQEU-SFTDATJTSA-N 441.641 5.022 30 20 IKED CC(C)c1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)cc1 1829958352 HEJLRXVAYATMLC-AREMUKBSSA-N 443.591 5.229 30 20 IKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 1831780244 QXAAZTIVJLMSFU-HSZRJFAPSA-N 443.031 5.348 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1CC 20078294 BZLKWJUIYRJLGL-UHFFFAOYSA-N 445.635 5.104 30 20 IKED C=CCn1c(SCc2nc(C)c3ccccc3n2)nc2sc3c(c2c1=O)CCCC3 25718812 IWTYCQDRMIFUSJ-UHFFFAOYSA-N 434.590 5.067 30 20 IKED C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 27394017 DHUAQOWLQSOKQG-UHFFFAOYSA-N 441.409 5.061 30 20 IKED N#Cc1ccc(/C=C2/CC(C#N)(c3ccccc3)C/C(=C\c3ccc(C#N)cc3)C2=O)cc1 33748214 WVKOZYIAKOJLLH-ACZYEWCVSA-N 425.491 5.721 30 20 IKED C=CCN(CC=C)C(=O)c1sc2nc(CSc3cc(C)ccc3C)[nH]c(=O)c2c1C 71836095 SGIZSGBXBLHWMX-UHFFFAOYSA-N 439.606 5.016 30 20 IKED CCN(C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1)[C@@H](C)c1ccc(C#N)cc1 105907353 ALJFWPRZTWDMQC-IBGZPJMESA-N 436.515 5.807 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(F)c(F)c2)ccc1OCC(=O)N(C(C)C)C(C)C 209518751 CSIBVACDUZUABW-XFFZJAGNSA-N 445.506 5.284 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4[nH]3)cc12 301763699 PNSCSBFKOJLFPI-INIZCTEOSA-N 431.908 5.415 30 20 IKED C=C(C)Cn1c(Sc2cnc3cc(Cl)c(Cl)cc3n2)nnc1-c1ccncc1 302201682 VKBAETJNAOZBIF-UHFFFAOYSA-N 429.336 5.317 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@H](c4ncc5n4CCCC5)C3)cc2)cc1 410281525 KNXDFFIGMWMDPD-QFIPXVFZSA-N 440.547 5.098 30 20 IKED C=CCCc1ccccc1NC(=O)c1ccccc1CSc1nc2nc(C)cc(C)n2n1 410376701 XGRINXJHSHQQFO-UHFFFAOYSA-N 443.576 5.404 30 20 IKED N#C[C@@H](C(=O)c1ccc(Br)c(C(F)(F)F)c1)c1ccc(C(F)(F)F)cn1 426175524 IGJRVPLINKDTIS-SNVBAGLBSA-N 437.137 5.372 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC(c3ncccc3Cl)CC2)cc1 428434720 LXAOQSMQYZBYSX-UHFFFAOYSA-N 435.886 5.558 30 20 IKED CN(C)[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CC1 429753390 BSFOFPCHKBUCOL-IBGZPJMESA-N 446.473 5.317 30 20 IKED N#CCCC[C@@H](NC(=O)NCC1(c2ccccc2Br)CC1)c1ccccc1 431977173 KIOACSPMRIBRTQ-HXUWFJFHSA-N 426.358 5.215 30 20 IKED C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 434208672 UCFLOVZDFAJXLN-BCHFMIIMSA-N 441.531 5.188 30 20 IKED C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 435099024 PTEIJFVYVNKELU-RXFWQSSRSA-N 425.532 5.742 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(OCC3CCCC3)CC2)cc1 435101681 CSFBHGQMGNHECK-UHFFFAOYSA-N 447.579 5.535 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@H](C)Oc2cccc3ccccc23)c1C#N 435661346 DGXGGBJGSOTUKN-INIZCTEOSA-N 428.517 5.025 30 20 IKED COc1ccccc1-c1nn(C)cc1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 437462705 ZTBAECWRMSESHM-UHFFFAOYSA-N 442.450 5.151 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCCCc2nc3ccccc3[nH]2)cc1F 438656289 OYGMJHBTVXROSX-UHFFFAOYSA-N 429.455 5.120 30 20 IKED C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 439443494 SVUGFVPUSLGXQR-MWRLGJARSA-N 437.515 5.283 30 20 IKED N#CCCCn1cc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c2ccccc21 443928229 OVLPRJRMZCZDAN-UHFFFAOYSA-N 428.561 5.575 30 20 IKED N#Cc1ccc(C2(C(=O)Nc3nnc(SCc4ccc(Cl)cc4)s3)CC2)cc1 444620036 LPDSJZAJFMRPCE-UHFFFAOYSA-N 426.954 5.026 30 20 IKED CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2SCCC#N)c1 460177713 WLGLBFHDUVMFJZ-UHFFFAOYSA-N 429.973 5.973 30 20 IKED COc1cc(CNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C(C)C)ccc1C#N 460597978 KPCAHQXYBMYYIH-UHFFFAOYSA-N 444.318 5.582 30 20 IKED Cn1cc(CN[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c(-c2ccc(C#N)cc2)n1 463716541 LMMLCDKAFVDLMW-NRFANRHFSA-N 443.551 5.389 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)cc1Cl 466040015 PSLCSFUIOMAZPH-QFZRFWILSA-N 445.950 5.895 30 20 IKED C[C@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(F)cc1F 466432839 APJDIBFOQNUKET-OAHLLOKOSA-N 434.446 5.014 30 20 IKED Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)Nc1sc3c(c1C#N)CCCCCC3)CC2 468690426 PEJBULMWCLPGLC-ZDUSSCGKSA-N 448.514 5.140 30 20 IKED N#Cc1cccc(-c2nnc(CNc3ccccc3Oc3ncc(Cl)cc3Cl)o2)c1 471621261 NBKOXBBHVPEEJL-UHFFFAOYSA-N 438.274 5.714 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 473622874 UVPHASQBVRNDAC-HYHKQLJDSA-N 447.560 5.621 30 20 IKED C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 473634659 XFFOXESHNOYVGF-MYGHRHJXSA-N 433.533 5.313 30 20 IKED CN(Cc1nc(C(F)(F)F)cs1)C(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 473899415 YVQBDEVEXVUBNG-UHFFFAOYSA-N 426.357 5.010 30 20 IKED CN(Cc1nc2c(s1)CCCC2)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 475647983 HYLJYCKPELGTAP-UHFFFAOYSA-N 446.576 5.331 30 20 IKED N#CC[C@@H](CC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1)c1ccccc1 475776018 CDUMUKYMKNAJMO-AHWVRZQESA-N 437.543 5.690 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)N[C@H](c3ccccc3)c3ccc(F)cc3)CC2)c(F)c1 481242516 ZPVUDEDFFRGNBK-RUZDIDTESA-N 447.485 5.179 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1c(C)cccc1C(C)C 481363521 KASFUTDCKWXWSO-UHFFFAOYSA-N 436.581 5.206 30 20 IKED Cc1nc(-c2ccccc2)ncc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 481796547 OTNRVPKJHUXICE-UHFFFAOYSA-N 442.466 5.729 30 20 IKED C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc2ncsc2c1 486519949 OPSSTLOBLBZKRX-OAHLLOKOSA-N 441.516 5.303 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 487747616 ISQPFMNIVUXDBZ-CQSZACIVSA-N 449.561 5.200 30 20 IKED CCN(CC(F)(F)F)C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 488559515 ZYJMSZOWBNOUAP-GNVUBMPBSA-N 439.362 5.520 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1csc(-c2ccccn2)n1 489638074 VJASXAJIIFSKPP-UHFFFAOYSA-N 435.578 5.162 30 20 IKED CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 498001248 JXGXFTVPQHBZJT-FPOVZHCZSA-N 448.567 5.208 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 502532610 UDSLPMAAUZFDCG-UHFFFAOYSA-N 444.922 5.271 30 20 IKED Cc1cccn2cc(COc3ccccc3C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)nc12 503889628 HLVFLORISMSZQE-UHFFFAOYSA-N 448.526 5.023 30 20 IKED CCC[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nnc2ccccn12 506309122 SJDAWQBIMOQTIB-HXUWFJFHSA-N 426.480 5.056 30 20 IKED N#Cc1c(NC(=O)C2(c3cncc(Br)c3)CC2)sc2c1CCCCCC2 507793274 GWAXIWOOYUDCFV-UHFFFAOYSA-N 430.371 5.107 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)CCOc2ccc(C)cc2)cc1 508259129 MYELBHPIHOKPAX-UHFFFAOYSA-N 431.492 5.210 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(OC(C)(C)C)CC1 508478355 QYICKJGQIOBXFJ-LJQANCHMSA-N 434.584 5.541 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 510700046 KYIUVJGPESOUFJ-RPBOFIJWSA-N 445.494 5.840 30 20 IKED CC[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(OC)cc1 511519252 FGMSFAPSHAFHMJ-HSZRJFAPSA-N 428.492 5.092 30 20 IKED Cc1nc(-c2cccc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)c2)oc1C 517351419 PENOKHZURCBPFC-UHFFFAOYSA-N 427.435 6.014 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Sc2ncccn2)cc1C 517883411 BSGQJHGDXFMNSO-UHFFFAOYSA-N 435.509 5.065 30 20 IKED CCCCCN(C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C(C)C 518132552 JRHFJYCWYYTICM-NRFANRHFSA-N 425.960 5.361 30 20 IKED Cc1nc(-c2ccc([C@H](C)NC(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)cs1 518683305 PVIZKAXDRRYMBG-CVEARBPZSA-N 436.606 6.253 30 20 IKED C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc(C#N)cc1 520216551 RDQLGTFEKABCGM-ZDUSSCGKSA-N 426.270 5.340 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 521810517 ROTLAIYXFHJVTP-QGZVFWFLSA-N 428.989 5.084 30 20 IKED Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccc(OCc3cccc(C#N)c3)cc1C)CCC2 522091812 UGPMSCZMMDYQES-QHCPKHFHSA-N 446.576 5.752 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 523594302 HMPZELDSYLLQET-IRXDYDNUSA-N 444.551 5.145 30 20 IKED COc1ccc(C2(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CCC2)cc1 524391942 LQBNHMVHLKFSGB-UHFFFAOYSA-N 426.516 5.515 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1 524490351 JUKUNDKJYWLYCT-UHFFFAOYSA-N 449.432 5.214 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)c2)cc1 524521794 GCLRMTDAFJUMTE-UHFFFAOYSA-N 433.511 5.548 30 20 IKED N#CCSc1ccccc1NC(=O)CNc1ccc(C(F)(F)F)c(Br)c1 527040328 PSPRFYCDOFNJHR-UHFFFAOYSA-N 444.276 5.134 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)Cc1cccc(C#N)c1 531145741 HLATXBSZVDPJDJ-UHFFFAOYSA-N 437.421 5.319 30 20 IKED CC(=O)N(c1nc(COc2cc(Cl)ccc2C#N)cs1)c1c(C)cc(C)cc1Cl 532139504 JZFPNYMOBKLGOU-UHFFFAOYSA-N 446.359 6.202 30 20 IKED N#CCCCOc1cccc(CNc2cccc(CS(=O)(=O)C3CCCCC3)c2)c1 533220008 YMHNGQDHIQAYJW-UHFFFAOYSA-N 426.582 5.229 30 20 IKED Cc1nnc(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)n1[C@@H]1CCC[C@@H](C)C1 535337664 SMFVQQIJSMGIQQ-JFIYKMOQSA-N 443.642 5.320 30 20 IKED N#CCSc1ccccc1NC(=O)CN1CCc2ccccc2[C@@H]1Cc1ccccc1 535599560 RVSHKGCLZJPPOI-DEOSSOPVSA-N 427.573 5.083 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1ccc(Cl)cc1)C1CCC1 539308439 JDPQGKAKNQMLRY-WAIKUNEKSA-N 428.001 5.661 30 20 IKED COc1ccc(CN(C)[C@H](C)c2sc(-c3ccccc3)nc2C)cc1OCCCC#N 539837771 ADTUERNFQWOAHK-LJQANCHMSA-N 435.593 6.003 30 20 IKED C[C@H](NC(=O)NCCc1nc(C(F)(F)F)cs1)c1ccc(-c2cccc(C#N)c2)cc1 541121067 SYDSQXZRWXSITK-AWEZNQCLSA-N 444.482 5.303 30 20 IKED C[C@@H](NC(=O)c1cccc(COC2CCOCC2)c1)c1ccc(-c2cccc(C#N)c2)cc1 542001289 FFZUQGBNSRXKMR-HXUWFJFHSA-N 440.543 5.412 30 20 IKED Cc1nnc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)s1 546128505 FUIMIGXVMLWVJM-LLVKDONJSA-N 447.442 5.412 30 20 IKED C[C@@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(Oc2ccccc2)cc1 548825059 HCVYVSAMUCHDPH-HXUWFJFHSA-N 426.520 5.202 30 20 IKED CCc1c(C)sc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1C#N 551097871 UBLVAYZBVPALTB-UHFFFAOYSA-N 431.439 5.949 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccnc(Oc2ccccc2Cl)c1 554240704 ZBZAYTAQEFDQJG-UHFFFAOYSA-N 427.888 5.223 30 20 IKED Cc1ccc2c(c1)CN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)c(F)c1)CCO2 558342164 WTAHNUZHFFLAAH-UHFFFAOYSA-N 431.467 5.011 30 20 IKED CN(C(=O)c1csc(C(F)(F)F)n1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 560090676 MXCPBUXRACJTFE-SNVBAGLBSA-N 436.299 5.556 30 20 IKED C=CCN(C(=O)c1ccc2nccc(C)c2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 561671594 CDGMTOKMLFAJTF-UHFFFAOYSA-N 430.489 5.408 30 20 IKED COc1cc2c(cc1F)CC[C@@H]2NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 572258380 KJIAJONELJGEGF-DEOSSOPVSA-N 445.494 5.288 30 20 IKED N#CCCn1cc(CNc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c(-c2ccccc2)n1 573609282 AWBZGRABBXOGEP-UHFFFAOYSA-N 436.441 5.280 30 20 IKED Cc1sc(NC(=O)CN2CCc3nc(-c4ccccc4Cl)sc3C2)c(C#N)c1C 582749925 XRWFMGXSVUSJLK-UHFFFAOYSA-N 442.997 5.010 30 20 IKED COc1ccc(Cn2nc(C)c(CNc3ccc(Oc4ccnc(C#N)c4)cc3)c2C)cc1 583469843 GWNRWUBBZYCKAY-UHFFFAOYSA-N 439.519 5.228 30 20 IKED COc1cc(CNc2ccc(Oc3ccnc(C#N)c3)cc2)c(F)cc1Br 600859883 GYAUKKQAXWGURT-UHFFFAOYSA-N 428.261 5.268 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)s2)cc1 603648403 HXFHOPXBZDTRQI-NRFANRHFSA-N 448.548 5.717 30 20 IKED CC[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccccc1OC(F)F 603877436 FQCNUPUEFDUDDF-SFHVURJKSA-N 426.419 5.213 30 20 IKED C[C@@H](Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)Nc1cccc(C#N)c1 604044646 CPZFLPCPTWZZMV-CYBMUJFWSA-N 427.291 5.491 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1occc1COc1cccc(C#N)c1 608805981 ZJPOWWGBTYVBOZ-UHFFFAOYSA-N 449.466 5.955 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](Cc1ccc(Cl)cc1)C1CCCCC1 608953097 WTSIOHZIQCGZNR-XMMPIXPASA-N 441.019 5.307 30 20 IKED N#Cc1cnn(-c2ccc(C(=O)N(Cc3cccc4ccccc34)C3CCCC3)cc2)c1N 609073737 VNYWJPIOLVSSEM-UHFFFAOYSA-N 435.531 5.064 30 20 IKED COc1c(Br)cc(Cl)cc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C 609210948 WLRUSDZWFZNDRB-UHFFFAOYSA-N 436.737 5.425 30 20 IKED CC(C)NC(=O)Nc1ccccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 609306294 GGNHZGWQAYKIIZ-UHFFFAOYSA-N 432.455 5.272 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1 609306820 FCDGYVDCXVWQBI-UHFFFAOYSA-N 438.462 5.295 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 609403162 XWRDRXLZYWCNAL-SJORKVTESA-N 436.606 5.960 30 20 IKED CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccccc1S[C@H](C)CC#N 609427867 YWTFZHXJNHITKO-FOIQADDNSA-N 429.973 5.127 30 20 IKED CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 609638800 FPTKWWPCGLGXAO-CQSZACIVSA-N 431.970 5.107 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](COCc1ccccc1)c1ccccc1 610142643 FRRPXQXQWZONEZ-HYBUGGRVSA-N 445.588 6.160 30 20 IKED Cn1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(Cl)c2ccccc21 613320034 SIFJTVUKHSGYIM-OAHLLOKOSA-N 426.328 6.099 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1[nH]c2ccc(F)cc2c1Cl 615706656 HJRXUORVUKTJHU-MBTKJCJQSA-N 430.751 5.600 30 20 IKED Cc1ccc(-c2noc([C@H](C)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)n2)cc1F 618448692 ANPBUJNLZJWNTO-WCFLWFBJSA-N 425.348 5.308 30 20 IKED O=C(N[C@H]1CCSc2ccc(F)cc21)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618548152 PMXVZRBQRGUWHI-CWSCBRNRSA-N 430.389 5.135 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2F)C(C)C)nnc1-c1ccc(F)cc1 639430755 QLYZOMNEKBSXNR-IBGZPJMESA-N 428.508 5.165 30 20 IKED C[C@H](c1nnc(-c2ccccc2F)s1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 669927919 SONGSFNDJPNJRK-VWYCJHECSA-N 427.389 5.468 30 20 IKED O=C(c1ccc(C(F)(F)F)cc1N1CCCC1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 671753120 CXBIPZOUBIVLLU-CHWSQXEVSA-N 448.329 5.118 30 20 IKED O=C(c1ccc(C(F)(F)F)cc1Cl)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 678750127 DFUWCGWVIKXZHC-IUCAKERBSA-N 427.694 5.562 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)sc2C)[n+]2ccc3c(c2)CCCC3)c1 726573038 WZOFLUUPHNYVOA-UHFFFAOYSA-O 445.633 5.836 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(SC(F)F)c2)cc1 727596023 YWIWNIQREJLWLM-UHFFFAOYSA-N 441.478 6.246 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)c(Cl)nc1Cl 728812222 YPBJCTQWLDCBBO-ZMONIFLSSA-N 427.147 5.167 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 729349653 PLGVQJLAZWMDMS-QHCPKHFHSA-N 435.568 5.341 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(CCc2ccccc2)Cc2ccncc2)cc1 730380891 ZGPJFYGYZAXCNS-MUUNZHRXSA-N 446.554 6.014 30 20 IKED N#C[C@@H](C(=O)CCN1c2ccccc2Sc2ccccc21)c1nc2cc(F)ccc2s1 730422304 VYAMGUFMWIPQIB-INIZCTEOSA-N 445.544 6.305 30 20 IKED Cc1ccc(-n2nc(C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)c3c2CCCC3)cc1 731136570 SWYJTXQMYCYHOQ-NRFANRHFSA-N 436.515 5.055 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2sc3cc(C)ccc3c2Cl)ccc1OC 733229928 JFGDKCMTZBPWMC-HNNXBMFYSA-N 428.941 5.483 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)ccc1OC 733647064 VFPSIWDONUNALS-MRXNPFEDSA-N 448.350 5.171 30 20 IKED Cc1ccccc1[C@@H](OC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1cccs1 733689353 VWIQUKNRPUMUIH-RUZDIDTESA-N 432.545 5.416 30 20 IKED CC(C)(C)OC(=O)NC1(c2noc(-c3ccc(Oc4ccc(C#N)cn4)cc3)n2)CCCC1 733736564 BTXSQIZFTMXDHK-UHFFFAOYSA-N 447.495 5.090 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c1 733771658 QPAKJZHACVJGFF-IBGZPJMESA-N 447.516 5.357 30 20 IKED N#C[C@@H](C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)c1nc(-c2ccncc2)cs1 734081787 RONRHOZGSULJHZ-RTNQIJGDSA-N 433.842 5.767 30 20 IKED C=CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl 735065571 FMVZRYDQRHAFFD-LLVKDONJSA-N 447.771 5.142 30 20 IKED CC(=O)c1cccc(NC(=O)COC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 735165977 VRGLAMPQGPIPOS-UHFFFAOYSA-N 448.862 5.002 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCC[C@H]3c3cccc4c3OCCO4)c2)s1 740064354 LIOSDVLUXATTHH-NRFANRHFSA-N 445.544 5.105 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc3c(c2)COC3)cs1)c1ccc(F)cc1F 742437354 TWBODVLUHRFWRP-ALCCZGGFSA-N 426.444 5.032 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccccc2Br)c1 744761516 KZGRMFWABUTXNE-UHFFFAOYSA-N 445.386 5.222 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3cccnc3SCC3CCCCC3)o2)c1 745042333 STNJKOXFILYTOT-UHFFFAOYSA-N 434.521 5.033 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S 746055806 GMKXCZKRWUVQQS-UHFFFAOYSA-N 425.989 5.259 30 20 IKED COc1cccc(Nc2nn(CN(Cc3ccc(C#N)cc3)CC(C)C)c(=S)s2)c1 746061879 MQHLZGBLLOPHCQ-UHFFFAOYSA-N 439.610 5.414 30 20 IKED C=CCN(C(=O)c1ccc(Cl)nc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 747622323 ARQGOECQDSTGHT-UHFFFAOYSA-N 435.292 5.253 30 20 IKED CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cc(C#N)cs2)NC(=O)N1Cc1ccccc1 747962150 VLTFJXDTSYFGBO-HSZRJFAPSA-N 442.544 5.107 30 20 IKED CN(C(=O)NCc1ccc(OCC#N)cc1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 748969312 MQFXHCPAYFUIAH-QHCPKHFHSA-N 437.902 5.312 30 20 IKED CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 755775001 DWVFLLUIZRVLAZ-FTJBHMTQSA-N 427.548 5.393 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CC[C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)cc1 759213789 SXDQFSHZORKAOQ-MJGOQNOKSA-N 439.581 5.332 30 20 IKED N#CCCn1ncc(C(=O)N[C@@H]2CCOc3c2ccc(Cl)c3Cl)c1-c1ccccc1 759340689 AGVFBHHEFYLOEE-GOSISDBHSA-N 441.318 5.024 30 20 IKED N#Cc1c(F)ccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)c1Cl 761476858 KGNANNUUEIWHTD-NTUHNPAUSA-N 437.258 5.331 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)/C=C(\c3ccc(Cl)cc3)C(F)(F)F)CC2)c1 762201124 ROLPDCURJJMOSW-DEDYPNTBSA-N 434.845 5.227 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(Cl)nc1C(F)(F)F 766588677 DMVCXJHDXAGWMJ-UHFFFAOYSA-N 445.828 5.765 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)c1 769108520 IYYFMHZTVWMYBX-RUZDIDTESA-N 440.547 5.304 30 20 IKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)O[C@@H](C#N)Cc3ccc(F)cc3F)c12 774311657 UVIVSDHNXDOQHO-OAHLLOKOSA-N 437.402 5.176 30 20 IKED Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)Cc1ccccc1CC#N 776959109 TWWAEIMJJCSFMV-UHFFFAOYSA-N 440.522 5.979 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 781550952 GTDZBMVBLDEYBC-WLRTZDKTSA-N 446.459 5.037 30 20 IKED Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 782235046 POOXTBWCQTTZSY-LJQANCHMSA-N 448.548 5.706 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CC1CCC(C(F)(F)F)CC1 783287780 OHVWNSBRBPPBDH-FHERZECASA-N 442.503 5.321 30 20 IKED O=C(CCCn1cccn1)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 783558016 SPJIOACEWSQKEH-CQSZACIVSA-N 447.301 5.121 30 20 IKED C#CCn1ccc(CN(CC)C(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)n1 790118769 DEAYCCOUVWIHSL-QFIPXVFZSA-N 441.959 5.191 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H]2CC(C)(C)c3ccc(Br)cc32)ccc1OC 794810428 LELHCLDTUJNGEE-YLJYHZDGSA-N 443.385 5.651 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)n1 805891641 WBEMIINQGSCJOM-MJGOQNOKSA-N 441.597 5.735 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 806263493 NVEFTKJTUWZSRD-GBXCKJPGSA-N 445.588 5.706 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCC([C@H](F)c3ccccc3F)CC2)cc1C#N 806364560 ZYCFBEXRMHOYSO-NRFANRHFSA-N 442.466 5.220 30 20 IKED CC(=NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(N2C(=O)CCC2=O)cc1 814948805 GDVVXBZZCTVZPL-UHFFFAOYSA-N 443.347 5.214 30 20 IKED Cc1cccc2sc(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)c(Cl)c12 875314092 WKJAQRRLENPLTC-LLVKDONJSA-N 444.965 5.469 30 20 IKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1nc2ccccc2o1 915102761 GPPPHYXVWWZCSH-CQSZACIVSA-N 426.259 5.599 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(N3CCOC3=O)c2)cc1Cl 916057785 XPKBQVKKRPSHHB-OAQYLSRUSA-N 431.879 5.204 30 20 IKED COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2OC)o1 916137611 WMLQMPJUCXWXFU-RMKNXTFCSA-N 426.852 5.203 30 20 IKED Sc1nnc(-c2cccc(Cl)c2)n1N=Cc1csc(-c2ccc(Cl)cc2)n1 916345312 ZYEBIJNPHJHWIR-UHFFFAOYSA-N 432.361 5.546 30 20 IKED CC(=O)c1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916628117 MEZRUQSQEBCBTL-HXUWFJFHSA-N 438.936 5.702 30 20 IKED Cc1nn(-c2ccccc2)cc1CCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 916628591 UJJBIDWTPQWIGD-HHHXNRCGSA-N 449.558 5.591 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(-c2ccccc2F)o1 916904767 IPPKZGSBBQDXRF-IBGZPJMESA-N 440.430 5.839 30 20 IKED CC(=O)c1cccc(OCC(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 917031557 WXGFHAXDELFULF-ZNWBTVJYSA-N 434.561 5.069 30 20 IKED COc1ccc2[nH]cc(CC(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2c1 917045152 YBEICNHXGQAOKY-HNNXBMFYSA-N 429.423 5.224 30 20 IKED Cc1ccc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(CC(C)C)cc2)c1 917612561 YRIWMMFSHCQWOD-UHFFFAOYSA-O 428.581 5.676 30 20 IKED C[C@@H](Nc1ccc(N2CCCC2)c(F)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 917939174 QDGRWKTXKLQWPU-OAHLLOKOSA-N 426.561 5.067 30 20 IKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@@H](C)c2ccc(C)s2)c1 920172674 KGJQTXJWGCEVDW-JXFKEZNVSA-N 441.622 5.035 30 20 IKED CCOc1cccc(C=Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3Cl)c2)c1O 920945086 PTUCFGIXGSYFDM-UHFFFAOYSA-N 444.940 5.304 30 20 IKED CCn1cc(C(=O)/C=C\c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cn1 920991463 JMSAYHFQQVYMSR-POHAHGRESA-N 441.325 5.149 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc[nH]4)cc3)CCC2)c1 1788193133 IABBVHYKYFTCFP-LJQANCHMSA-N 440.547 5.022 30 20 IKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4cccc(F)c4s3)cc2)CCC1 1788983026 ISEIHBDOJLTKKY-CYBMUJFWSA-N 428.554 5.106 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4c(Cl)cccc4Cl)cc3)CCC2)CC1 1790227054 RFKLDKCWNMLOGU-UHFFFAOYSA-N 428.319 5.045 30 20 IKED Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)o1 1790767804 MWOWVCLWWKTAND-UHFFFAOYSA-N 447.922 5.104 30 20 IKED CC(C)c1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)c[nH]4)CCC3)cc2)cc1 1791394726 NAEYEBGBRQGHBJ-UHFFFAOYSA-N 440.547 5.000 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc(OC)cc(C(F)(F)F)c3)CCC2)cc1 1791589094 HBBPXSLXRQHPGF-UHFFFAOYSA-N 432.442 5.038 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc4ccoc4s3)CC2)C1 1804858580 JNSOQLGGNKAAIM-UHFFFAOYSA-N 428.598 5.332 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3sccn3c2)n[nH]1 1817818159 ILEUBYDICQWKNT-SFHVURJKSA-N 439.585 5.022 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3cnccc3c2)n[nH]1 1818644470 HEVUCPSDVMHTEW-JOCHJYFZSA-N 445.567 5.256 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3CC[C@H](C)CC3)[nH]n2)c1 1823215957 LHDGYXGVKCFBGR-KGYLXKDPSA-N 447.583 5.169 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@]2(F)CCCC=C2F)CC1 1828830354 UHWWUYDQXCBSDY-TYBLODHISA-N 434.571 5.120 30 20 IKED CC(C)(C)CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)CC1 1829778686 PZVZOXVAKNKKFB-QHCPKHFHSA-N 440.632 5.116 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3CC4(CCC4)C3)CC2)c1 1832480640 ZMCQBTUZCLQFAX-NLFFAJNJSA-N 447.623 5.127 30 20 IKED Cc1ccccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832633732 NAFMIWLGDKKPIW-QFQXNSOFSA-N 443.591 5.169 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)CCc1ccc(C)c3ccccc13)C2 1844205402 XVLCSMUEUWSMBD-QHCPKHFHSA-N 430.592 5.053 30 20 IKED C[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)Nc1ccccc1C#N 9968093 LJQCENWMBHATFD-MRXNPFEDSA-N 443.507 5.064 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(C)cc2C)cc1 10168750 IRZDGEXPQVJHDJ-UHFFFAOYSA-O 425.524 5.482 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)c(Cl)c1)=C(/S)Nc1ccccc1C 11166457 VSDWMQPDKKAMLG-UHFFFAOYSA-O 444.407 6.203 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(C)=O)nnc1-c1ccc(Cl)cc1 16862802 NWSHATIJXFGJQV-OAHLLOKOSA-N 440.956 5.106 30 20 IKED C=CCn1c(SCC(=O)N(C)Cc2cccc(Cl)c2)nnc1-c1ccc(Cl)cc1 18972559 RKZJDPFIJKGQLT-UHFFFAOYSA-N 447.391 5.189 30 20 IKED CCOc1ccccc1-c1nnc(S[C@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)o1 22132826 GTDCAOLRBHHHEI-QFNCUCFLSA-N 449.576 5.497 30 20 IKED COc1ccc(NC(=O)[C@@H](Nc2ccc(C(C)(C)C#N)cc2)c2ccccc2)cc1Cl 28373694 NUCPLTMCJWVLQC-QHCPKHFHSA-N 433.939 5.942 30 20 IKED C=CCn1c(SCc2csc(NC(C)=O)n2)nnc1-c1ccc(C(C)(C)C)cc1 36628446 NBQLHPJXRUIWFQ-UHFFFAOYSA-N 427.599 5.136 30 20 IKED CCCc1ccc([C@H](NC(=O)CCc2c(C)nn(CCC#N)c2C)c2cccs2)cc1 36723787 HMSTYZHKZLNYKQ-VWLOTQADSA-N 434.609 5.266 30 20 IKED N#C[C@@H](C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1nc2ccccc2[nH]1 62696167 VJFRKZURQYNNDZ-IBGZPJMESA-N 428.517 5.076 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)c2ccn(-c3cccc(C#N)c3)n2)cc1 409726033 FJRNLLZVEVVXPR-IBGZPJMESA-N 436.515 5.253 30 20 IKED COc1cc(Br)c(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1OC 432917290 KZVJRRKXXDUXPY-INIZCTEOSA-N 432.318 5.023 30 20 IKED CC(C)Oc1ccc(NC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1C#N 435569449 XOPUYNKFZALTMB-CYBMUJFWSA-N 438.475 5.232 30 20 IKED N#CCCCOc1cccc(NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)c1 436064649 WGTFHRIOVJTYLO-UHFFFAOYSA-N 430.382 5.780 30 20 IKED C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 437993584 FKYKLZOKSBKKED-BXKMTCNYSA-N 447.485 6.030 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)c1ccccn1 438542129 ALKLEHBUPXXKPS-CQSZACIVSA-N 426.398 5.647 30 20 IKED N#CCCSc1ccccc1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 460177675 WCVASICQPYEPPP-UHFFFAOYSA-N 445.331 5.834 30 20 IKED CC(=O)N[C@H](CC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1)c1ccccc1 460331771 RAJPQZAXRQRCKI-XMMPIXPASA-N 431.923 5.012 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3ccc(-c4cccnc4)cc3)c2)c1 466941184 UKVRMNJETRCVBG-UHFFFAOYSA-N 447.498 5.194 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccsc3)C2)cc1Cl 467915260 CKNUKLRZHFKJSZ-IFMALSPDSA-N 437.952 5.662 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](c1ccc(C(=O)OC)cc1)C(F)(F)F 475554231 XGRNIYJFQYHZSY-FQEVSTJZSA-N 434.458 5.750 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2c(F)cc(F)cc2F)nnc1-c1ccc(Cl)cc1 476699110 MWYFGDSTNXTVJR-NSHDSACASA-N 437.874 5.565 30 20 IKED O=C(c1cc(F)c(Br)cc1Cl)N(CCC(F)(F)F)CC(F)(F)F 477147869 DDAXQGLDCDCVJR-UHFFFAOYSA-N 430.545 5.199 30 20 IKED CC(C)(C#N)CNC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 481452145 ZOKRLUOAVVXXBT-LLVKDONJSA-N 435.290 5.177 30 20 IKED CCC(CC)[C@H]1C[C@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCO1 481611632 LVRHRTSQRRMUSW-RCZVLFRGSA-N 435.568 5.437 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 482962426 WPSFUXQLFAPRAI-GJZGRUSLSA-N 432.952 5.274 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)NCc3nc(-c4cc5ccccc5o4)cs3)CC2)cc1 483353202 IFTFACIRZKBYPE-UHFFFAOYSA-N 440.528 5.427 30 20 IKED Cc1ccc(-c2ccc(C)c(NC(=O)C(=O)Nc3ccccc3S[C@H](C)CC#N)c2)o1 484973119 JIGPWTCTJMIXEP-QGZVFWFLSA-N 433.533 5.535 30 20 IKED N#Cc1cccnc1Oc1ccccc1NCc1nn(-c2ccc(F)cc2)c2c1CCC2 486119610 DGZZJQCHGRKNGY-UHFFFAOYSA-N 425.467 5.171 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc4ncsc4c3)s2)c(C(F)(F)F)c1 487385240 KVIHZGYTBRILMW-UHFFFAOYSA-N 444.463 5.486 30 20 IKED N#CC1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(Cl)cc2)CC3)CC1 489409337 PIALXXOSLMHNGE-XDJHFCHBSA-N 427.935 5.751 30 20 IKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 491445042 OTDRIBAPZCMQGQ-UHFFFAOYSA-N 434.490 5.099 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 491982042 WFILJCJITHDDFO-CQSZACIVSA-N 437.491 5.023 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)c1cccs1 493705713 JXPLOGDYAGWYOS-XLIONFOSSA-N 449.601 5.039 30 20 IKED Cc1ccc(C[C@@H](C#N)Sc2nnc([C@@H](C)N(C)C)n2-c2ccc(Cl)cc2)cc1 494342630 BWCPBCFJIIHHCW-UZLBHIALSA-N 425.989 5.079 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N(Cc3ccncc3)Cc3cccnc3)cc2)cc1 498551607 ABZRNHDIVHGOGR-UHFFFAOYSA-N 434.499 5.178 30 20 IKED CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1cnc(C(F)(F)F)c(C#N)c1 499092666 UUMPTBXQDWDJKI-IBGZPJMESA-N 442.485 5.334 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 500333541 OBPRIWLCFREDRR-ZDUSSCGKSA-N 428.275 5.458 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 502659947 GJPLBOBNEJUXFI-UHFFFAOYSA-N 448.336 5.403 30 20 IKED CCOC(=O)c1sc2cccc(F)c2c1Cn1cc(C#N)c(=O)c2cc(Cl)ccc21 502816684 DLPGMNNGJSXVNE-UHFFFAOYSA-N 440.883 5.105 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@H]2c2cccc3ccccc23)cc1 503369177 FXWOBWFRIKMNJA-SVBPBHIXSA-N 432.523 6.227 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)nn1-c1ccc(F)cc1F 504560684 IYYKPEBXWBJMSD-ZDUSSCGKSA-N 428.851 5.212 30 20 IKED COc1cc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)ccc1OCc1cscn1 505936727 ATNJKJMSEHFHJL-KRWDZBQOSA-N 448.331 5.032 30 20 IKED C[C@H](SCC(=O)NCc1cccc(C#N)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 506246745 DPDBMVAOOATDBQ-LBPRGKRZSA-N 446.416 5.706 30 20 IKED CCCN([C@H](C)c1cc2ccccc2o1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 507319897 RDGGTVIAKJUBFP-CQSZACIVSA-N 436.455 5.485 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(OCc2ccccc2)nc1 508923706 CTPCKBKVWINRTQ-UHFFFAOYSA-N 436.471 5.280 30 20 IKED Cc1c(C#N)cccc1C(=O)Nc1ccc(CN(C(=O)c2cccc(C#N)c2C)C2CC2)cc1 513495914 XBTHSABRFMZAQN-UHFFFAOYSA-N 448.526 5.104 30 20 IKED N#Cc1c(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)sc2c1CCCCC2 514337705 SCURBZISPXHVNB-UHFFFAOYSA-N 425.941 5.768 30 20 IKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCO[C@@H](c2ccc(F)cc2)C1 515109408 RIRNDLZGBHCPIR-MRXNPFEDSA-N 436.327 5.469 30 20 IKED Cc1cc(C)n(-c2ccc(C(=O)N(Cc3ccc(C#N)cc3)c3ccc(F)cc3C)cn2)n1 515202528 XFQIZUZJIGJREY-UHFFFAOYSA-N 439.494 5.050 30 20 IKED Cc1c(C#N)c(SCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)nc2c1CCC2 515423806 XYCGOZLESKJYGW-XMMPIXPASA-N 445.613 5.078 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)oc2c1ccc1ccccc12 516270314 RMFNUVAIQUBSHL-NRFANRHFSA-N 433.492 6.380 30 20 IKED COc1cc([C@H](C)NC(=O)N[C@H](C)c2ccc(C#N)cc2)ccc1OCc1ccccc1 517970902 WAPROXZUXWJXCM-MOPGFXCFSA-N 429.520 5.267 30 20 IKED C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1nc2ccccc2n1C(F)F 519199152 QEEYRWNLEKSDQQ-HNNXBMFYSA-N 447.445 5.978 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)cc2)cc1 520322865 JMDFFOXWJACIJK-UHFFFAOYSA-N 439.374 5.307 30 20 IKED COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 521091237 IMZWUEOVEFOMIY-DEOSSOPVSA-N 427.504 5.512 30 20 IKED C=CCN(CC(F)(F)F)C(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2onc(C)c12 524104234 ZLDORNOHGIPCBT-UHFFFAOYSA-N 443.347 5.408 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cccnc3-c3ccc(Cl)s3)cc2)nc1 526099358 NTUORVZIKDXYEQ-UHFFFAOYSA-N 432.892 5.775 30 20 IKED CC[C@@](C)(C#N)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(OC)c1OC)CC2 534593773 XTSNUNDICMOUCR-ULJHPHNHSA-N 441.531 5.161 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)[C@H](OC3CCOCC3)c3ccccc3)c2)cc1 534618139 WJALYROEBNTPAN-RUZDIDTESA-N 428.488 5.226 30 20 IKED COc1ccccc1-c1nc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cs1 542015340 JPHJSADKOUVPHN-GOSISDBHSA-N 425.557 6.208 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 549278624 CQAZOPVAOMRIEW-UHFFFAOYSA-N 445.611 5.149 30 20 IKED Cc1c(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)sc2ccc(C#N)cc12 550379996 LVACZTYUNWDZLP-UHFFFAOYSA-N 437.952 5.613 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC(C)(C)[C@H]1c1cccs1 558323785 ULQIVHRRKLFYJX-HSZRJFAPSA-N 431.561 6.122 30 20 IKED Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(CC#N)CC2)n1CC(C)C 561007890 GCOZCRMZCQUGDO-UHFFFAOYSA-N 429.996 5.038 30 20 IKED C[C@@H](NCC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccc(Oc2cccnc2)cc1 572280253 OGUSQKZNBYICRO-GOSISDBHSA-N 434.927 5.125 30 20 IKED CC(C)c1noc(Cc2ccc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc2)n1 573223076 FOLUKHBGFCZBRD-VXKWHMMOSA-N 429.524 5.087 30 20 IKED CCCN(CC)Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 575081720 FGGPGONXZIHYDR-QFIPXVFZSA-N 428.561 5.404 30 20 IKED C[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@@H]1OCCc2sccc21 576012648 BIBDIYDTVPRSNC-CMJOXMDJSA-N 436.508 5.226 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCc2cccc(Br)c2C1 581274782 HAXQMEFVGRWGAJ-AWEZNQCLSA-N 430.371 5.434 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2nnc(-c3ccsc3)o2)cc1Cl 603766063 LUYKXVSHWOLPAF-LJQANCHMSA-N 448.935 5.678 30 20 IKED Cc1nc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)sc1SCC#N 603775782 PZJHRWGAPOUISX-UHFFFAOYSA-N 433.480 6.005 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nc2ccccc2[nH]1 604088126 DLVBTRQAYAMIGN-AWEZNQCLSA-N 431.883 5.763 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(-c4ncc5n4CCCC5)cc3)o2)cc1 609057859 YLQDSSNQPKSEQM-UHFFFAOYSA-N 438.487 5.182 30 20 IKED Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(C)n1-c1nccs1 609073448 HXHAPZHEHFTFST-UHFFFAOYSA-N 428.517 5.254 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609080200 SFACAITVZQXQGD-UHFFFAOYSA-N 430.895 5.326 30 20 IKED Cc1cccc(-n2ncc(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)c2C)c1 609173039 JMPJNWSVUBQTFI-SANMLTNESA-N 436.515 5.063 30 20 IKED COc1cccc(N2CC[C@H](CNC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)C2)c1 609209829 PFEYLIGUNPAGQT-HXUWFJFHSA-N 442.519 5.007 30 20 IKED Cc1oc(-c2ccccc2)nc1CSCC(=O)Nc1ccccc1S[C@H](C)CC#N 609388700 DDPPSURRWBQEIQ-MRXNPFEDSA-N 437.590 5.916 30 20 IKED Cc1ccc(C)c([C@@H](C)N(C)C(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 609943023 ALMMKLJFZWHLSC-LJQANCHMSA-N 427.504 5.126 30 20 IKED CCc1cc(C#N)c(NC(=O)c2c(C)n(Cc3ccccc3)c3ccc(OC)cc23)s1 609969261 YHDMDGWQXCVOJN-UHFFFAOYSA-N 429.545 5.755 30 20 IKED COc1cc(CN(C)C(=O)N[C@H](C)c2cccc(C#N)c2)ccc1OCc1ccccc1 610355523 TWUPIVYWAQDRAY-LJQANCHMSA-N 429.520 5.048 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(Sc2ccc(Cl)cc2)cc1)c1cccc(C#N)c1 610386661 HNGAFPZKVRZDRH-HNNXBMFYSA-N 435.936 5.179 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1)c1cccc(C#N)c1 611051311 TYDDGONSNNIHER-OAHLLOKOSA-N 443.894 5.830 30 20 IKED C[C@@H](Oc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cn1)c1ccccc1 613407252 NFMPDEXUMCDAIB-KDOFPFPSSA-N 433.920 5.975 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 615080774 TVQCDOUIZTUMBG-UHFFFAOYSA-N 432.495 5.223 30 20 IKED Cc1cc([C@@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)nc(C)n1 642282749 HFTCVTOVZAYZCL-QGZVFWFLSA-N 435.940 5.005 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccc(N2CCNC2=O)cc1)c1ccc(C(F)(F)F)cc1 676747653 KRNGVUCTYAILCT-IBGZPJMESA-N 432.446 5.064 30 20 IKED C[C@@H](NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2)C(F)(F)F 685240646 RNVVNZUVABAFCB-HYCPQMSOSA-N 425.335 5.176 30 20 IKED COc1ccc(C(=O)/C=C\c2ccc(-c3ccc(Br)cc3)o2)cc1NC(C)=O 726427880 AGRTTWHGKBKZKI-NTMALXAHSA-N 440.293 5.572 30 20 IKED COc1ccc(CCN(Cc2ccccc2)C(=S)Nc2ccc(C#N)c(Cl)c2)cc1 727086853 YBNZVZSNULBWAT-UHFFFAOYSA-N 435.980 5.662 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(COc2ccccc2C#N)o1 727803628 FDIJWBXBMXNEAA-UHFFFAOYSA-N 433.464 5.330 30 20 IKED Cc1cc(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)c(C)n1-c1ccc(C#N)cc1 728269676 UNGDNIGIIDUOSH-UHFFFAOYSA-N 440.478 5.222 30 20 IKED Cc1csc([C@@H](C#N)C(=O)COC(=O)[C@@H](Oc2cccc(C(C)C)c2)c2ccccc2)n1 730642618 BQDDHFOBQUCHKJ-GMAHTHKFSA-N 448.544 5.115 30 20 IKED N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 731479755 ROUSTCKJMWGBRC-JOCHJYFZSA-N 430.310 5.502 30 20 IKED CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)CCCCOc3cccc(C#N)c3)cc2C1 732026534 ARCALYBLWXZUDV-UHFFFAOYSA-N 449.551 5.039 30 20 IKED C[C@@H](CC(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1ccc(C(F)(F)F)cc1 733523024 MJUPMBFEXCJQFC-INIZCTEOSA-N 442.437 5.493 30 20 IKED C#CCN(C(=O)N[C@@H](C)c1ccc(C)s1)[C@@H]1CCOc2ccc(Br)cc21 733644663 DKGNIBBHDYWUQA-WMLDXEAASA-N 433.371 5.049 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2COCc2ccccc2)c1 733843634 SNKSHVACXMHMJI-QHCPKHFHSA-N 429.520 5.406 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3cccc(C4SCCS4)c3)c2)cc1 734316299 NWKBHBGMUNNXRJ-UHFFFAOYSA-N 432.570 5.868 30 20 IKED CSc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccc(COc2cccc(C#N)c2)c1 734592549 KKVBXHWGGVCLNU-QGZVFWFLSA-N 446.528 5.043 30 20 IKED O=C(COc1ccc(C(=O)/C=C\c2cc(Cl)ccc2[N+](=O)[O-])cc1)Nc1ccccc1 739426063 SDKPWKPKTZVSSN-JYRVWZFOSA-N 436.851 5.162 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)o1 742586843 FCNUQRYAOKZOJL-UHFFFAOYSA-N 433.464 5.221 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC([C@H](O)c3ccccc3)CC2)cc1F 743238468 QGOJHXRXGBADOO-RUZDIDTESA-N 445.494 5.467 30 20 IKED N#C[C@H](C(=O)CCCOc1ccc(F)cc1F)c1nc(-c2c(F)cccc2F)cs1 743469153 PAKIMURLJHLUCT-CYBMUJFWSA-N 434.414 5.402 30 20 IKED CCOc1ccc(C=Nc2ccc(Oc3ccccc3S(=O)(=O)CC)cc2)c(O)c1 745976482 IYWHOGRBNTZLBU-UHFFFAOYSA-N 425.506 5.127 30 20 IKED C[C@@H]1C/C(=C\c2ccccc2)c2nc3ccccc3c(C(=O)Nc3cnn(CC#N)c3)c2C1 747434677 NFLSVQUTLQVDRS-KETZHDHUSA-N 433.515 5.330 30 20 IKED C=CCC[C@H](NC(=O)Nc1cc(N2CCOC2=O)ccc1C)c1ccc(C(F)(F)F)cc1 750330232 GCPSGWYAKGADSL-IBGZPJMESA-N 447.457 5.799 30 20 IKED N#C[C@H](C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)c1nc2cc(Cl)ccc2s1 751831596 WNGWHBLZCNCVDJ-UMNQPMQUSA-N 438.902 6.275 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cncc(-c2ccccc2)c1 757874369 JAMNBGNIJHPGIQ-QHCPKHFHSA-N 433.467 5.502 30 20 IKED CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)Cc2cccc(OCC#N)c2)cc1 760389363 FCJRRDOLRXALEC-UHFFFAOYSA-N 441.531 5.320 30 20 IKED CCCOc1c(Cl)cc(/C=C/C(=O)c2cc(Br)ncc2F)cc1OC 762422928 CGXCFGBXOBSYQV-SNAWJCMRSA-N 428.685 5.330 30 20 IKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)O[C@@H](C#N)C(C)(C)C 765635468 YMKLFXQRXFDGGK-BBRMVZONSA-N 441.578 5.167 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 769456126 RZZCRHCQHLGPTJ-INIZCTEOSA-N 437.565 5.441 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c1 772361726 LMULAWYFPCKDNS-UHFFFAOYSA-N 434.521 5.210 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1c(C=O)cc(Cl)c2ccccc12 774664471 ZDTKDPZXVVJFGM-HNNXBMFYSA-N 438.936 5.717 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1 778713323 DZCCCCGUCJBHKH-WIYYLYMNSA-N 449.551 5.034 30 20 IKED CC(C)(C)n1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c(Br)n1 780315824 ZLQSHLUOIGTRTA-SNVBAGLBSA-N 437.750 5.154 30 20 IKED CC1(C#N)CCN(C(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)CC1 780778444 JTEANRLIBZDNSN-UHFFFAOYSA-N 434.337 5.430 30 20 IKED O=C(N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1ccc(C(F)(F)F)nc1Cl 781384234 LCJQXXIVKPKUQG-NSHDSACASA-N 448.697 5.389 30 20 IKED C#CC[C@@H](OC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1)C1CC1 784890606 WQGYXWXYKMCNSG-LJQANCHMSA-N 426.538 5.040 30 20 IKED COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2S[C@@H]2CC[C@@H](C#N)C2)cc1Cl 788097224 IAHDGPOJAABFIN-UURSAVIFSA-N 443.981 5.579 30 20 IKED N#CCOc1ccc(Cl)cc1COc1ccc(Oc2ncc(Br)cn2)cc1 788794479 PXGSYALNMLBRQE-UHFFFAOYSA-N 446.688 5.166 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN(CCC(F)(F)F)Cc2ccccc2)c1=S 790477183 GQEBRASSHPBHDS-UHFFFAOYSA-N 433.503 5.074 30 20 IKED N#C[C@@H](NC(=O)c1cc(C(F)(F)F)cnc1Cl)c1ccc(OCc2ccccc2)cc1 790966091 YDUKURPDNYNXDZ-LJQANCHMSA-N 445.828 5.327 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc(Cl)c1Br 793120217 RWHGTHSIWXTYAQ-CQSZACIVSA-N 429.701 5.406 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3cccc(C4SCCS4)c3)CC2)c(F)c1 794810279 XVNJZYLTDLZXIH-UHFFFAOYSA-N 427.570 5.031 30 20 IKED CCOc1ccc(-c2nc(COC(=O)c3cc(C#N)ccc3Cl)cs2)cc1OC 803831258 KHBCPZNGZKYKDJ-UHFFFAOYSA-N 428.897 5.099 30 20 IKED N#CCOc1ccccc1-c1nc(-c2ccc(-c3csc(-c4ccncc4)n3)cc2)no1 809496750 XDELPOITFYDSIY-UHFFFAOYSA-N 437.484 5.491 30 20 IKED O=C(O)C(=O)/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccc2ccccc2n1 810198707 DWGIPYRUAHWSOS-GHRIWEEISA-N 430.441 5.066 30 20 IKED Cc1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1-n1cccc1 821771524 CAZPEDDRLFUVCA-UHFFFAOYSA-N 431.546 5.054 30 20 IKED C=CCCO[C@@H](C)c1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1 904668465 JPUWGZHWPFVERF-LBPRGKRZSA-N 439.821 6.250 30 20 IKED Cc1ccc(-c2nnc(SCC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)o2)cc1C 913193998 JUSXFAKIMNCCLA-GOSISDBHSA-N 446.557 5.446 30 20 IKED Cc1csc(SCc2c(C(=O)N(C)Cc3cccc(C#N)c3)oc3ccccc23)n1 914449807 KMQVBCSFINTVMF-UHFFFAOYSA-N 433.558 5.634 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 915087331 SINYNSGNBJXAPI-HSZRJFAPSA-N 436.515 5.338 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCN(c4nc5ccccc5o4)CC3)n2)cc1 915100490 SEUQOHUIVWCPFZ-IBGZPJMESA-N 442.544 5.353 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(OCc3ccccc3)CC2)cc1 915349930 BKQJRNYYDNEDCQ-SANMLTNESA-N 425.532 5.555 30 20 IKED COc1cc(C=NNCc2ccc(C(F)(F)F)cc2)ccc1OCc1c(C)noc1C 915972719 SWPBKAQFFNQCCZ-UHFFFAOYSA-N 433.430 5.022 30 20 IKED N#C[C@@H](C(=O)CSCc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1Cl 916928119 ULQHWNHJUVNFGP-AWEZNQCLSA-N 427.740 5.228 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3cccc(Cl)c3Cl)n2)cc1 916974998 UQNRGQJQWFJMBY-HIFRSBDPSA-N 431.344 6.069 30 20 IKED N#Cc1cccc(COc2cccc([C@@H]3Nc4ccccc4C(=O)N3CC(F)(F)F)c2)c1 917415862 FYMUCOZROAICNG-JOCHJYFZSA-N 437.421 5.266 30 20 IKED C=CCN(Cc1ccccc1F)Cn1nc(-c2cccs2)n(C[C@@H]2CCCO2)c1=S 918182528 SVLRHWDAMXEPQM-SFHVURJKSA-N 444.601 5.106 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CSc3ccncc3)CCC2)cc1 1786102422 NDEWSEMTRWAJGD-UHFFFAOYSA-N 435.593 5.076 30 20 IKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)CCC2)cc1 1787889351 YNIWIPDUDOBSED-UHFFFAOYSA-N 449.860 5.410 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cnc4cccc(Cl)c4c3)CCC2)cc1 1792267199 LEYOPWCQWWBBDY-UHFFFAOYSA-N 431.923 5.049 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3cc[nH]c23)n[nH]1 1818771669 ZHLUWTPTVKXYAW-HXUWFJFHSA-N 433.556 5.189 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3sccc3[nH]2)n[nH]1 1819187811 NGUFPNHAGXQRLN-SFHVURJKSA-N 439.585 5.251 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3cccnc23)[nH]n1 1819554645 LTCSLSJCCKHXDE-OAQYLSRUSA-N 445.567 5.256 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccsc2)CC1 1825301261 PQUKFNKPXLLKAF-GZURJRJYSA-N 426.626 5.149 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(C)ccc3[nH]2)CC1 1828122898 PFDWTZYTQZHHCZ-JYFHCDHNSA-N 447.623 5.478 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2Cl)CC1 1830570448 OPBPWKNCIJUSPB-DENIHFKCSA-N 446.994 5.481 30 20 IKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831061629 IMEBNEXKBKKPBV-HSZRJFAPSA-N 443.547 5.123 30 20 IKED Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(C)o1 1832634117 HTNPERGQTYKWPV-IQGLISFBSA-N 447.579 5.071 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(\S)Nc2ccc3c(c2)OCCO3)c1 10179846 GRQHGKQLYFVFJQ-UHFFFAOYSA-O 447.580 5.228 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(F)cc2)cc1 10830036 DJTHBFSGEFZGKV-UHFFFAOYSA-O 427.590 5.795 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 18890443 YHMNCMJPSJJCBA-UHFFFAOYSA-N 448.997 5.300 30 20 IKED Cc1ccc(C(=O)/C(=C(\S)Nc2cccc(Cl)c2C)[n+]2ccc(N(C)C)cc2)s1 22728270 WOFRCXXLVQNQBN-UHFFFAOYSA-O 445.033 5.423 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(\S)Nc2ccc(SC(F)F)cc2)c1 23602864 RJXBDYVZVADHAY-UHFFFAOYSA-O 446.568 5.593 30 20 IKED Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc(C)cc(C(F)(F)F)c2C#N)c(Cl)c1 26143128 JCIOGTFAIVTTEX-GFCCVEGCSA-N 427.879 5.670 30 20 IKED CCCn1c(SCC(=O)N(CCC#N)c2ccc(C)c(C)c2)nnc1-c1cccc(C)c1 29404617 NSOFSHJECUTMFD-UHFFFAOYSA-N 447.608 5.319 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@@H]2CCCc3ccccc32)nnc1-c1cccc(C)c1 32563867 QYMVGTQVVXPDMM-JOCHJYFZSA-N 432.593 5.068 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1(c2ccccc2F)CCCC1 33197490 CDQBYZGUNZEBTH-STQMWFEESA-N 425.388 5.663 30 20 IKED CC1(C)OB(c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)OC1(C)C 200393563 PAWSGKQRXZYKPA-UHFFFAOYSA-N 430.356 7.112 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3nc4ccccc4s3)cc2)c1 303393019 YKTPAUGBWRQZIF-QFIPXVFZSA-N 440.528 6.329 30 20 IKED CCCO[C@@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 303395510 PMWGNQVOOVZYCG-OAQYLSRUSA-N 441.959 5.604 30 20 IKED Cc1sc(NC(=O)C2(c3cccc(C#N)c3)CC2)nc1-c1ccc(OC(F)F)cc1 435157183 KCRXRCJHJPRMKQ-UHFFFAOYSA-N 425.460 5.262 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2c(-c3ccc(Cl)cc3Cl)noc2C)cc1 436078966 RFTOYULODRIQCB-UHFFFAOYSA-N 445.306 5.517 30 20 IKED COc1cc(Br)cc(C)c1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 436150297 SLEZOHRUDKONOX-MSOLQXFVSA-N 428.330 5.070 30 20 IKED CO[C@@H](C)c1nc(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cs1 438410476 KOAQBCYFVNNIGL-ZDUSSCGKSA-N 427.913 5.098 30 20 IKED COc1cccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 438659068 DJSBGJJAJFZDGO-JOCHJYFZSA-N 431.467 5.867 30 20 IKED Cc1ccc2oc(CN(Cc3ccco3)C(=O)N[C@H](CCC#N)c3ccccc3)cc2c1 438860840 QUGNIVDJKTVYNB-XMMPIXPASA-N 427.504 6.091 30 20 IKED C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 439350810 CTZDWBOPYQALSP-DCSNJQJVSA-N 447.579 5.125 30 20 IKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)C(=O)N[C@H](CCC#N)c1ccccc1 439429465 FSBWZNPIXVAZPZ-CJFMBICVSA-N 441.531 5.235 30 20 IKED N#Cc1ccc(NC(=O)C(=O)Nc2cccc(Oc3cccc(C(F)(F)F)c3)c2)c(F)c1 441668079 RHPIJAARHVSGBW-UHFFFAOYSA-N 443.356 5.086 30 20 IKED Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3cn(CCCC#N)c4ccccc34)cc2)n1 444288595 LSXUHKABIQTTQH-FQEVSTJZSA-N 425.536 5.239 30 20 IKED Cc1ccc(-n2nc(C)c(NC(=O)CNc3ccccc3SC[C@@H](C)C#N)c2C)cc1 444400592 OHCLGHRFBOQUQR-KRWDZBQOSA-N 433.581 5.100 30 20 IKED Cc1cc(Cl)cc2cc(-c3noc(-c4ccc(S(=O)(=O)CCCC#N)cc4)n3)oc12 445857975 SCFMLUPWLBGKOZ-UHFFFAOYSA-N 441.896 5.189 30 20 IKED CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 461137553 BCVNZFWDFYGRPT-UHFFFAOYSA-N 426.520 5.020 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)cc1F 462672935 DVHVHOBNRAVNKA-RDPSFJRHSA-N 431.467 5.531 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)Cc3cc(F)ccc3F)s2)c(C(F)(F)F)c1 463291884 PYOLEIWYTIQWSD-UHFFFAOYSA-N 437.393 5.084 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 463502236 QMWDLBGAXIHRCV-KGLIPLIRSA-N 435.339 5.263 30 20 IKED Cc1nn(C)c(C)c1C[C@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 466091728 KABNEIBAUGNYOD-NYHFZMIOSA-N 435.959 5.099 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(O[C@@H]2CCOC2)cc1 469324483 DCJKMXOGWPRRLD-QGZVFWFLSA-N 436.455 5.131 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3c(F)cccc3Oc3ccccc3)C2)n1 471906100 OYQIGSITCVDBGW-IBGZPJMESA-N 430.483 5.048 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2ccccc2SCc2cn3ccccc3n2)n1 474421211 KZUYUWPFPRJKEA-GOSISDBHSA-N 432.574 5.697 30 20 IKED CCCOc1c(Br)cc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cc1OC 474432425 KYYDPJJFSRPKQO-CYBMUJFWSA-N 437.359 5.316 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2ccc(F)cc2)on1 474691910 KVUHSOOAACTVGY-UHFFFAOYSA-N 435.402 5.758 30 20 IKED N#CCCSc1ccccc1NCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 476397759 LZOWQROQTSGKMH-LJQANCHMSA-N 434.392 5.775 30 20 IKED O=C(NCCCC(F)(F)F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 477111448 PWJIBKQRUSZKSL-GNVUBMPBSA-N 439.362 5.567 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccncc2Br)cc1Cl 477324979 UJLOVHISPIAIKK-KRWDZBQOSA-N 426.701 5.405 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CSc2nc3cc(F)cc(Cl)c3o2)cc1 478854666 NZJNNMQTNRETNX-UHFFFAOYSA-N 433.892 5.058 30 20 IKED CC(C)Cn1ncc(NC(=O)NCc2cc(F)c(C(F)(F)F)cc2F)c1C(F)F 479137526 ZDTGVEBQYYDHRS-UHFFFAOYSA-N 426.336 5.095 30 20 IKED C=CCCCC(=O)Nc1ccc(NC(=O)c2ccccc2I)c(C)c1 479578315 YVRAHHOFDCZUIV-UHFFFAOYSA-N 448.304 5.147 30 20 IKED CCc1ccc([C@H]2COCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)o1 480354257 HHGBZAYSODJVLD-JTHBVZDNSA-N 449.938 5.756 30 20 IKED COc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c(OC2CCCC2)c1 482587996 CSKDRQCWNVJKHH-KRWDZBQOSA-N 425.435 5.251 30 20 IKED Cc1c([C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)C(C)C)oc2ccccc12 483307099 GCWITVKDWBZSEI-AOMKIAJQSA-N 449.576 5.445 30 20 IKED N#Cc1cc2c(nc1NC(=O)c1csc(-c3ccc(Br)s3)n1)CCCC2 484150773 YTIXYVDKUPHHBQ-UHFFFAOYSA-N 445.367 5.032 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N[C@@H](c1ccc(F)cc1)C(F)(F)F 487112547 DZJWXZYHQPQKRR-GJZGRUSLSA-N 426.307 5.561 30 20 IKED N#CCCC[C@@H](NC(=O)CC1(CC(=O)Nc2nccs2)CCCCC1)c1ccccc1 487216218 DTSCIWKSSXYTMY-HXUWFJFHSA-N 438.597 5.364 30 20 IKED COc1cc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1OC(C)C 488016333 WQLQJCLOMFCXIM-UHFFFAOYSA-N 432.495 5.336 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)C(=O)Nc1ccc(C)cc1C 489658687 CSIGSNMCIOJFLS-LJQANCHMSA-N 436.581 5.088 30 20 IKED Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 490632319 VHWDQQQDAUPRFO-SFHVURJKSA-N 434.923 5.700 30 20 IKED Cc1c(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)sc2ccc(C#N)cc12 493919890 KWUGVBNJTGIAAG-IIBYNOLFSA-N 441.959 5.297 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CSc1ccc(F)c(F)c1 497675050 CGJPOPSMOWZZQG-UHFFFAOYSA-N 426.463 5.610 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc([C@@H]3CCCOC3)c2)cc1 499636644 SEQHQJPIHYGGPJ-OAQYLSRUSA-N 428.488 5.505 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c2)cc1 503572774 PUDANZACUAYQHW-LJQANCHMSA-N 429.888 6.104 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@]1(Cc2ccc(Cl)cc2)CCOC1 505296633 ACPCUKHNCUMSQH-ZHRRBRCNSA-N 429.973 5.115 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(COC4CCCCC4)c3)CC2)cc1 509247184 MFVUSJVCTIHLEO-UHFFFAOYSA-N 433.552 5.483 30 20 IKED CCN(C[C@H](C)C#N)C(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 509715188 OGBZRECUEZFJNE-CYBMUJFWSA-N 437.443 5.387 30 20 IKED C[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1sc2c(c1C#N)CCC2 510213273 VZAOHIFNPGNEEI-CQSZACIVSA-N 430.558 5.161 30 20 IKED N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1ccc(Br)cc1F 510219239 ZQMHXTNXAKEJRS-UHFFFAOYSA-N 442.313 5.253 30 20 IKED Cc1noc(COc2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)n1 510595251 XVMFHLTYBITZLI-UHFFFAOYSA-N 442.500 5.232 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@H]3CCc4c(Cl)cccc43)s2)cc1 510606498 CBIMLQYEKHNQIC-KRWDZBQOSA-N 441.969 5.164 30 20 IKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1nc2ccccc2[nH]1 511341248 NPZNRZFDKCKWIK-QGZVFWFLSA-N 425.492 5.091 30 20 IKED N#CCCN(C(=O)COc1ccc(Br)cc1Cl)c1cccc(Cl)c1 513259732 BGMOJYJRKJBUMF-UHFFFAOYSA-N 428.113 5.082 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1nc2ccccc2s1 513677531 XYALUSFUBRBKTC-LLVKDONJSA-N 430.386 5.130 30 20 IKED CC(=O)Nc1cccc([C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 516841737 BIXWIDAQGSDSDG-KRWDZBQOSA-N 429.545 5.300 30 20 IKED Cc1cc(Br)ccc1SCC(=O)Nc1ccccc1SC[C@H](C)C#N 517456960 DYWNCWDBACXTJL-CYBMUJFWSA-N 435.412 5.740 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)CC1 517666928 DNUDAUCJSRBQME-HWMSQKFYSA-N 429.347 5.475 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(F)cc1Br 518668437 CKMBIFCUFNTFTA-CHWSQXEVSA-N 437.334 5.246 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)cc2)c1 518731978 UQVDBRDMAAJJKL-UHFFFAOYSA-N 439.496 5.917 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc4nc(C(F)F)[nH]c4c3)cc2Cl)cc1 521606438 MTNZLLKRDFTIOW-UHFFFAOYSA-N 438.821 6.070 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(CC)o2)nc2sc(-c3ccccc3)c(C)c2c1=O 521958329 ZGYKNJTWDDUEMY-CQSZACIVSA-N 438.578 5.418 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnc(-c3ncccn3)s2)cc1Cl 523345416 NSVFEZULYYZKFI-KRWDZBQOSA-N 431.908 5.161 30 20 IKED CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 523556757 LWVYWUNYZQJBSO-LADGPHEKSA-N 432.955 6.396 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ccc3c(c2)OCO3)n1)c1nc(-c2ccccc2)cs1 524013534 UIQTZIFGOTZFGP-OAHLLOKOSA-N 431.498 5.152 30 20 IKED Cc1ccc(Nc2cccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c2)nn1 524059622 XYDJIKNDCXTMGZ-UHFFFAOYSA-N 449.514 5.426 30 20 IKED C=CCOc1cccc(NC(=O)C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)c1 525145888 VPUYILFOUYLFGB-UHFFFAOYSA-N 443.543 5.517 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2C)c1ccc(C(F)(F)F)cc1 532753867 XQTMEAOGOIIDGF-LJQANCHMSA-N 431.458 5.443 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)c1cc(F)c(F)c(F)c1F)C(F)(F)F 533245536 VURQEJVHGAIGRG-SFHVURJKSA-N 445.338 5.079 30 20 IKED COC(=O)c1cccc(CNc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)c1C#N 533691653 GJMWSICLQIGQCE-UHFFFAOYSA-N 427.382 5.163 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)c1oc2ccccc2c1COc1ccccc1 542287685 UQDIIGQHVSNJRS-UHFFFAOYSA-N 442.471 5.161 30 20 IKED CC(=O)N1CCc2c(sc3nc(-c4ccccc4F)c(C#N)c(-c4ccc(C)cc4)c23)C1 543445662 YTUPLAZOEXGNQH-UHFFFAOYSA-N 441.531 5.854 30 20 IKED CCc1ccc(Cl)c(CC)c1NC(=O)CCCN1CCC(C#N)(c2ccccn2)CC1 548798085 PDGFHUNMLASEGJ-UHFFFAOYSA-N 439.003 5.136 30 20 IKED CC(C)c1cc(Br)ccc1NC(=O)N1CCC(C#N)(c2ccccn2)CC1 548878996 NJWWCCHVDCKTPM-UHFFFAOYSA-N 427.346 5.057 30 20 IKED N#Cc1cccc(-c2nnc(N3CC[C@@H](c4ccc(Cl)cc4)C3)n2C[C@@H]2CCCCO2)c1 549672077 MYBGAWLYWMLFIN-GGAORHGYSA-N 447.970 5.033 30 20 IKED CC1(C)CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)[C@H]1c1cccs1 554132194 MAJYLBHDCYXSRM-QHCPKHFHSA-N 431.561 6.008 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 554178634 BUJGECRSAHPCCC-UHFFFAOYSA-N 447.491 5.055 30 20 IKED C[C@@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 559054685 UUHZHSBSFKMJMZ-JTSKRJEESA-N 440.934 5.756 30 20 IKED CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)CC[C@H]1C(F)(F)F 559161219 QKYZWZQCGWPAOQ-GOSISDBHSA-N 445.514 5.341 30 20 IKED N#Cc1ccc(Br)c(C[S@@](=O)[C@H](c2ccccc2)c2ccc(F)cc2)c1 559231942 SCHCSZLKZQMADF-QFQXNSOFSA-N 428.326 5.498 30 20 IKED CCOC(=O)Cc1ccccc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 563554113 HSSKBRYSHSRKHA-UHFFFAOYSA-N 434.879 5.362 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1 603755335 NZJDFGIFBMSRIB-JOCHJYFZSA-N 435.321 5.099 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 604003364 AKLQSMGNJAJQJV-UHFFFAOYSA-N 442.475 5.066 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C 604359473 QQGSUAPNOJLTLJ-UHFFFAOYSA-N 431.439 5.660 30 20 IKED O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 605032245 ZIYZJNIGGYZCGU-UHFFFAOYSA-N 435.246 5.195 30 20 IKED C=CCCCN(C)C(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)c(F)c1 606139319 IYLNDCRZUKZLMY-UHFFFAOYSA-N 425.287 5.288 30 20 IKED C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 608897038 KOUNULGESHQQMF-ZDUSSCGKSA-N 431.439 5.030 30 20 IKED N#CCn1c(C(=O)N(Cc2cccnc2)c2ccc(Br)cc2)cc2ccccc21 609216240 GQELVMBFOPXUDS-UHFFFAOYSA-N 445.320 5.169 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1 609427463 ACACOXCMHZHHIL-AWEZNQCLSA-N 430.455 5.538 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)c1 609506166 TXXVZNPTKLPOPJ-UHFFFAOYSA-N 445.519 6.162 30 20 IKED C[C@@](C#N)(NC(=O)c1ccc(COc2cccc(Br)c2)o1)C1CCCCC1 609639022 POYDHVKRHKAKMS-NRFANRHFSA-N 431.330 5.213 30 20 IKED CCOc1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c(C(F)(F)F)c1 609643188 ALODNBUPQRTOKU-UHFFFAOYSA-N 440.421 5.807 30 20 IKED N#Cc1ccc(-c2nnc(COc3ccc(-c4ccc(Br)cc4)cc3)o2)cc1 610218952 JMLMISQTVYEKHZ-UHFFFAOYSA-N 432.277 5.617 30 20 IKED O=C(Cc1ccccc1F)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622516571 JJDNVAMSRFTYTP-QGZVFWFLSA-N 435.339 5.006 30 20 IKED CC(C)NC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 642282174 QSBWJMGPJKLHTB-OAHLLOKOSA-N 446.454 5.335 30 20 IKED Cc1c(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cccc1OCC(F)(F)F 674564267 AMQMESJQYUGLHC-UWVGGRQHSA-N 438.290 5.141 30 20 IKED O=C(Nc1ccc(C(F)(F)F)cc1Cl)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674568324 ZVPQBZVBLDMLEG-YUMQZZPRSA-N 428.682 5.563 30 20 IKED Cc1c(Cl)cc(F)c(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1F 677781411 WLZSHKALTFPCDT-YUMQZZPRSA-N 438.746 5.958 30 20 IKED Oc1nc(CN[C@H](CC(F)(F)F)c2ccc(F)cc2)nc2cc(C(F)(F)F)ccc12 678755847 YSYBFPUFMXXHBE-OAHLLOKOSA-N 433.327 5.277 30 20 IKED O=C(NC1CC(F)(c2cccc(Cl)c2)C1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 684630336 WPNDTVONNPETGR-FMPXUHTOSA-N 432.767 5.049 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)cc2Cl)[n+]2cccc(O)c2)c1 726573621 NDUVZKBRORYFLR-UHFFFAOYSA-O 442.347 5.291 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)cc1 726696529 QLSRWQNKNKFJMZ-ZLNRFVROSA-N 446.348 5.782 30 20 IKED C#CC[C@@H](OC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1)c1ccccn1 727775236 CVAIYVRUIJOWJY-RUZDIDTESA-N 448.482 5.056 30 20 IKED Cc1cccc(NC(=O)[C@H](OC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C(C)C)c1C 728109640 QYUYEHBKBJBDSL-XMMPIXPASA-N 446.503 5.167 30 20 IKED N#C[C@H](C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1 728766961 QLPAKXFLKDDKKK-IAGOWNOFSA-N 434.870 6.376 30 20 IKED COc1cccc([C@@H](C#N)NC(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)c1OC 729429807 OBXYAAALPCASFK-NJBZPOFQSA-N 438.936 5.480 30 20 IKED CC[C@H](C)Oc1ccccc1/C=C\C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 729890025 WGBZYZIKJKQGEO-WMGIFWIASA-N 444.503 5.539 30 20 IKED CCN(C)c1ccccc1CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 730135776 WRZOXMVRNWCAKL-UHFFFAOYSA-N 428.536 5.109 30 20 IKED CCN(CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C(c1ccccc1)c1ccccc1 730260960 CVJJPDMDBCWRKO-OAQYLSRUSA-N 425.557 5.584 30 20 IKED N#C[C@@H](C(=O)C1(c2cccc(Br)c2)CCCC1)c1nc2cc(F)ccc2s1 730417556 OQEAGOPGJRBKJW-INIZCTEOSA-N 443.341 5.886 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1nc2cc(F)ccc2s1 730417788 QYFGGZVRBMXEJK-AWEZNQCLSA-N 427.407 5.178 30 20 IKED COc1cc(/C=C2\CCc3nc(-c4ccccc4Br)sc3C2=O)ccc1O 730435719 HHKXPXRNBDZIEO-JLHYYAGUSA-N 442.334 5.499 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 730948134 ACGBDWCSXUKPPH-GFCCVEGCSA-N 444.563 5.330 30 20 IKED Cc1c(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)oc2ccc(F)cc12 731072188 ZDAQRQSOXBTDLU-CYBMUJFWSA-N 426.469 5.070 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccnc2ccccc12 731315177 ZVRSNRGXBROMKE-UHFFFAOYSA-N 430.920 5.517 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(N2CCOC2=O)cc1 731400922 YEMXNAJSJMWSMY-KRWDZBQOSA-N 442.475 5.190 30 20 IKED Cc1ccc(N(Cc2ccco2)C(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1C 732115437 BIOCRDYEOVTGAO-UHFFFAOYSA-N 429.520 5.157 30 20 IKED CC(=O)Nc1ccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1C 733623191 HPYZGJHYTRLQTL-OAQYLSRUSA-N 432.911 5.906 30 20 IKED Cc1ccc(-c2ncc(C=Nn3c(C)nc4sc5c(c4c3=O)CCCCC5)s2)cc1 734296664 ASBDQDZKLOALTN-UHFFFAOYSA-N 434.590 5.349 30 20 IKED Cc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1NC(=O)OC(C)(C)C 742554408 JWVZFRIMPDAKFC-UHFFFAOYSA-N 448.548 5.513 30 20 IKED N#Cc1ccccc1/C=C\C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 743714820 XCIPXSRRLLNJST-QPEQYQDCSA-N 441.918 5.343 30 20 IKED Cc1ccc(N2CCOC2=O)cc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 743778394 YTNCNGRSAZEMCQ-UHFFFAOYSA-N 427.460 5.062 30 20 IKED C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1C(F)(F)F 744030193 AGHLDHOGJFDOGO-RISCZKNCSA-N 443.252 5.853 30 20 IKED C=CC[C@@H](NC(=O)N(Cc1c(OC)ccc2ccccc12)C1CCCC1)c1ccncc1 745828780 VQAAZCJONNMWQG-RUZDIDTESA-N 429.564 6.015 30 20 IKED COc1cc(CN2CCC[C@H]2C[C@@H](O)c2cccs2)ccc1OCc1cccc(C#N)c1 750829157 GJMZXIVTWSYMHH-XZOQPEGZSA-N 448.588 5.295 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 752618718 VUWCROKZUKAARK-WBVHZDCISA-N 433.499 5.979 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)cc1 754405584 YVHYJDYMAYVIBT-UWJYYQICSA-N 436.508 5.279 30 20 IKED CCOC(=O)c1sc([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nc1C 757197113 GUEMRFMDVWEOAC-OXQOHEQNSA-N 448.548 5.166 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cc1 759209017 LJKTTXNHDNEIDL-UUOWRZLLSA-N 439.515 5.414 30 20 IKED COc1ccc(C[C@H](C)CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 761837965 FRELAUOZHXPZPA-FNZWTVRRSA-N 427.548 5.693 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN(C)Cc2ccc(Cl)c(Cl)c2)c1=S 764854852 BHLYELMWVAOLKQ-UHFFFAOYSA-N 434.396 5.448 30 20 IKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2F)NC1=O)Nc1ccc(Cl)c(Cl)c1 766283574 MBBHDDSEFXZUCD-CQSZACIVSA-N 446.718 5.034 30 20 IKED C=CCNc1ncc(C(=O)O[C@H](C)C(=O)N2c3ccccc3Sc3ccccc32)s1 770119116 PSOVPWMJXVAQBH-CQSZACIVSA-N 437.546 5.116 30 20 IKED COc1ccc(CN(C(=O)NCc2cc(C#N)ccc2F)[C@H]2CCCC[C@@H]2C)cc1OC 772493376 NNRCLSVZYRHRGJ-JTSKRJEESA-N 439.531 5.005 30 20 IKED N#CCn1c(CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)nc2ccccc2c1=O 775464743 PYXBDHZLKDEDNF-QHCPKHFHSA-N 431.948 5.596 30 20 IKED C[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccccc1OCc1ccccc1 777117156 KBLXBVLXKGSGNI-HXUWFJFHSA-N 427.548 5.271 30 20 IKED N#Cc1ccc(N2CCC[C@@H]2C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 777303634 DMGICFXPZJXLJI-TZIWHRDSSA-N 432.936 5.180 30 20 IKED C[C@H]1CN(c2ccc(N[C@H](C)c3ccc(OCC#N)cc3)cc2C(F)(F)F)C[C@@H](C)O1 777679086 CZZIBXMXIZIFAV-IXDOHACOSA-N 433.474 5.394 30 20 IKED Cc1cc(C(=O)O[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)nc(C(F)(F)F)n1 777704264 NJHPSHQXUHBWKV-LLVKDONJSA-N 432.242 5.283 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnc(-c3ccc(F)c(F)c3)s2)cc1 780310029 RKAZUCVIAYLFMM-DYVFJYSZSA-N 439.487 5.563 30 20 IKED COC(=O)Nc1ccc(CCNC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 782514289 GFPWDAGCZHPYAD-SFHVURJKSA-N 442.519 5.006 30 20 IKED FC(F)(F)c1cc([C@@H](NCc2cnc(Cl)s2)C(F)(F)F)cc(C(F)(F)F)c1 783013833 PNFMKLFHLXYIHF-SNVBAGLBSA-N 442.734 6.227 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)C(=O)NCc1cccc(Cl)c1 786537611 SMYAHYCSORCYPN-KRWDZBQOSA-N 444.343 5.064 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)/C=C/c3ccc4ccc(Cl)cc4n3)ccc21 787353509 FLGDEVSEUROMPI-PKNBQFBNSA-N 444.922 5.123 30 20 IKED CCc1c(NC(=O)Nc2ccccc2O[C@@H](C)C#N)cnn1-c1cccc(C(F)(F)F)c1 792485886 LLUXHUNRBVDRHG-AWEZNQCLSA-N 443.429 5.388 30 20 IKED COc1ccccc1-c1ncc(/C=C2\CSc3ccc(Br)cc3C2=O)cn1 792885680 PAQVNEVHZMLUKK-RIYZIHGNSA-N 439.334 5.287 30 20 IKED N#CCOc1ccc(CC(=O)Nc2ccc3oc(SCc4ccccc4)nc3c2)cc1 798265605 HKCUGSZGIBAUDN-UHFFFAOYSA-N 429.501 5.204 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 806263121 BRPNIEPCCDHBEZ-CYFREDJKSA-N 445.588 6.249 30 20 IKED FC(F)(F)Oc1ccc(NN=Cc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 812461381 RQHDIAIJBHLQGS-UHFFFAOYSA-N 437.425 5.338 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)c1ccc(F)c(Br)c1 813212871 GYIRGMSYYYVJHK-MFKMUULPSA-N 429.211 5.372 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nc(C)cc(C(F)(F)F)c2C#N)cc1 856970790 QLKBVWXJADTYQI-HNNXBMFYSA-N 432.471 5.016 30 20 IKED COCc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)sc2cccc(F)c12 915087379 SUCIVQMONFDQIZ-LJQANCHMSA-N 430.504 6.095 30 20 IKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1 915102579 YHTLTMUUVRPVPI-VQIMIIECSA-N 435.574 5.055 30 20 IKED N#C[C@H](C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1nc2ccccc2o1 915104793 LPKBBVXTKDKQNK-NQIIRXRSSA-N 443.890 5.219 30 20 IKED N#C[C@H](C(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1nc2ccccc2n1C(F)F 915106595 FBKXKJHKIQUFNU-GCJKJVERSA-N 433.483 6.141 30 20 IKED Cc1csc([C@@H](C#N)C(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)n1 916844225 YQPFWWXKXORDLW-PKOBYXMFSA-N 427.323 5.211 30 20 IKED N#C[C@H](C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)c1ccc2ccccc2n1 916848892 QDOUOPADUJPMQJ-QHCPKHFHSA-N 433.486 6.331 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCc1ccc(Cl)cc1Cl 916902865 LEDUNGOMAWPSTP-CQSZACIVSA-N 439.726 5.244 30 20 IKED N#C[C@@H](C(=O)/C=C\c1ccccc1OC(F)(F)F)C(=O)Nc1ccc(Cl)cc1Cl 916930955 IDXSYLSXVIUJQZ-UJZCVKTISA-N 443.208 5.253 30 20 IKED CCOc1cc2c(cc1/C=C\C(=O)[C@H](C#N)c1nc3cc(Cl)ccc3s1)O[C@@H](C)C2 917046548 KVLFZRQNJPDUNS-YMKHFMGBSA-N 438.936 5.561 30 20 IKED COCc1c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)sc2cccc(F)c12 917047229 UJIIDUUNMZKCSQ-NSHDSACASA-N 430.913 5.940 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)cs1 917560497 OQCXYMMBWVLELI-DHZHZOJOSA-N 434.414 5.882 30 20 IKED COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)o1 917644631 JOWSJIWHAZOEKC-UDWIEESQSA-N 446.509 5.011 30 20 IKED COc1cc(C#N)cc(Cl)c1OC(=O)Cc1csc(-c2ccc(Cl)s2)n1 920016202 BQVNXJSAMDSKGJ-UHFFFAOYSA-N 425.318 5.207 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CSc3cc(Cl)ccc3Cl)n2)cc1 920141995 JIXAQWOWHBTQRD-OAHLLOKOSA-N 449.384 6.094 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)cc1 921235482 CYHFQINZPOSWGD-KBMIEXCESA-N 444.966 5.643 30 20 IKED CC(C)COc1cccc(CN(Cc2ccc(C#N)cc2)c2ccc3nc(O)[nH]c3c2)c1 1559615327 ZSIYIIOSECDXDB-UHFFFAOYSA-N 426.520 5.382 30 20 IKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@@H]4c4ccccc4)CCC3)cc2)cc1 1785882553 JPHWWVHEAMAJIN-CLJLJLNGSA-N 449.554 5.039 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CCCc3ccncc3)CCC2)cc1 1786102742 YEEZVENBNRVZJX-UHFFFAOYSA-N 431.580 5.307 30 20 IKED N#CCC(=O)Nc1ccc(C2(NC(=O)CCCc3ccc(C(F)(F)F)cc3)CCC2)cc1 1787644305 AKKKLMJFRAVILP-UHFFFAOYSA-N 443.469 5.076 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3cc4cccnc4cc3F)cc2)CCC1 1790477302 NOZKYBSYRYEBKB-SFHVURJKSA-N 445.538 5.263 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790767782 LHVBSKAPJVSURG-UHFFFAOYSA-N 433.939 5.153 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)C(=O)CC4)cc2)CCC1 1790884292 VTCOYNGYQXBCNI-QHCPKHFHSA-N 442.559 5.332 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)C1 1804859304 UBHZTLQICDNTNZ-UHFFFAOYSA-N 449.639 5.324 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@H](C)Sc3ccccc3)C2)CC1 1805857098 ZDJDXFQXZVWNAC-NRFANRHFSA-N 442.669 5.391 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)n[nH]1 1816202482 BXXCXWUVDWJICW-KSFYIVLOSA-N 449.530 5.062 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc3ccccc23)CC1 1828000384 HEQZEJSKBBKLBF-ATIYNZHBSA-N 445.607 5.237 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 1831373385 CUNOSMOLVLDLPN-LAUBAEHRSA-N 436.518 5.151 30 20 IKED C=CCn1c(SCC(=O)Nc2c(C)cccc2C(C)C)nc2cc(Cl)ccc2c1=O 9353570 QXPABAUIBXRQIW-UHFFFAOYSA-N 441.984 5.399 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc3c(c2)CCCC3)c1 10174688 AACRZYYIHFNANQ-UHFFFAOYSA-O 443.636 6.083 30 20 IKED Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)n1 10267006 RYJYQBNRFQCZGY-GFCCVEGCSA-N 430.505 5.091 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N(Cc2ccccc2)Cc2ccco2)n1 10399292 HYBOFEBKUKCAQZ-UHFFFAOYSA-N 445.466 5.195 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2cccc(O)c2)c1 11258410 KQOSYUAPQKMHLF-UHFFFAOYSA-O 425.961 5.309 30 20 IKED CCN/C(S)=C(/C(=O)c1ccc(C(C)(C)C)cc1)[n+]1ccc(Cc2ccccc2)cc1 22686457 FIKOLJDZVDXJMU-UHFFFAOYSA-O 431.625 5.411 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)nnc1-c1ccoc1C 23519337 GYEWKAKCTUCQMJ-DZGCQCFKSA-N 430.961 5.044 30 20 IKED Cc1ccc(C[C@H](C#N)Sc2nnc([C@@H](C)N3CCCCC3)n2-c2ccccc2)cc1 24849759 JGRQPUDKHVBOCQ-NFBKMPQASA-N 431.609 5.350 30 20 IKED COc1cc(C)ccc1Oc1ccc(NC(=O)c2cc(C3CC3)nc(SC)c2C#N)cn1 29363981 FOKIGIAESROYFW-UHFFFAOYSA-N 446.532 5.309 30 20 IKED N#Cc1ccc(NCC(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 60581092 IBXIJEFNSLJERD-NRFANRHFSA-N 428.923 5.053 30 20 IKED N#CC1CCN(C(=O)NCc2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)CC1 60989831 VNOVMXFQWKRPHU-UHFFFAOYSA-N 428.492 5.111 30 20 IKED CN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(OCc2ccccc2C#N)c1 65625519 IBBATGBPBFXGJG-UHFFFAOYSA-N 425.532 5.010 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCCSc2ccccc2)cc1 71944546 NSBJVPYRMUDKDG-UHFFFAOYSA-N 431.561 5.636 30 20 IKED Cc1nc(COc2cccc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)c2)cs1 107832482 ORLHBVDFFHYSNV-UHFFFAOYSA-N 445.466 5.107 30 20 IKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 195548614 HIGCPHUYNCKYJO-UHFFFAOYSA-N 439.481 5.436 30 20 IKED CC(C)CCOC1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 195652487 YIQZAONAWXHUEC-UHFFFAOYSA-N 435.568 5.391 30 20 IKED C=CCOc1c(Br)cc(CN[C@@](C)(CC)c2nc(C)cs2)cc1OC 236921098 UTJADEDIIXBTEF-IBGZPJMESA-N 425.392 5.202 30 20 IKED COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)ccc21 303416499 WQNBIDBKGIUWKF-IBGZPJMESA-N 430.335 5.206 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N(CCc3ccccc3)Cc3ccncc3)c2)cc1 303650463 UAVSTLRKFSRWTO-UHFFFAOYSA-N 447.538 5.417 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC(N4CCc5ccccc54)CC3)cc2)cc1 410276062 NIEIBZZBOIUMKS-UHFFFAOYSA-N 437.543 5.212 30 20 IKED C[C@H](CCNC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1cccc(C(F)(F)F)c1 428651866 ZFLCZPWBSTYOFN-QGZVFWFLSA-N 440.469 5.406 30 20 IKED C=CCN(C(=O)c1ccnn1C(CC)CC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 432357051 GVEGFHAYYVPSND-UHFFFAOYSA-N 425.514 5.109 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCCC(C)(C)[C@@H]2C#N)c(OC)c1 434028684 WPHRMPKQFZIDOL-DEOSSOPVSA-N 445.563 5.325 30 20 IKED N#C[C@@H](C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1nc2cc(Cl)ccc2s1 434621452 SYYAVNRGEOFVGB-AWEZNQCLSA-N 441.846 5.905 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2nc(C3CC3)no2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 435461529 XMUBQPSQJXCUHH-GOSISDBHSA-N 446.919 5.881 30 20 IKED C=CCC[C@H](NC(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1ccccc1 435609753 BTDQZAVGPUZFKQ-VWLOTQADSA-N 448.588 5.631 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(C(F)(F)F)CC3)cc2Cl)c1 437962084 JBOBCOYLYFSTOM-UHFFFAOYSA-N 437.849 5.597 30 20 IKED C=CCOc1cccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 438655500 KNHWDPKSEHNKEP-JOCHJYFZSA-N 445.906 5.137 30 20 IKED CCCc1c(NC(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)cnn1-c1cccc(C#N)c1 439219925 BNMWSEHZGUOMCM-UHFFFAOYSA-N 440.507 5.612 30 20 IKED N#CCC[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)c1ccccc1 439461054 KCSWZWGJOZIJFR-FQEVSTJZSA-N 433.895 5.232 30 20 IKED Cc1cc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)on1 439641027 CVXZXBQLWUSAOP-CYBMUJFWSA-N 430.386 5.105 30 20 IKED CCCc1c(NC(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)cnn1-c1cccc(C#N)c1 439665430 LBSGEGSZUZXGLA-UHFFFAOYSA-N 440.507 5.612 30 20 IKED CN(CC#Cc1ccc(OC(F)(F)F)cc1)[C@H](c1ccc(Cl)cc1)c1cnccn1 440546816 OIIHYKDTNQHHBN-OAQYLSRUSA-N 431.845 5.102 30 20 IKED Cc1ccc(Br)cc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 442805715 APXUQXMDEHHQFL-CYBMUJFWSA-N 433.277 5.649 30 20 IKED O=S(=O)(Cc1cccc(NCC#Cc2ccccc2Cl)c1)c1ccc(F)cc1F 446990757 LXSGSUOQUHVZEA-UHFFFAOYSA-N 431.891 5.056 30 20 IKED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@H]1c1ccc(Br)c(C)c1 460933851 KTXZLORXDOZDCY-RYGJVYDSSA-N 445.405 5.364 30 20 IKED C=CCn1c(SCc2nc(C)c(C)s2)nc2scc(-c3cccs3)c2c1=O 461544651 KLOLZHYFEBVAHG-UHFFFAOYSA-N 431.633 5.738 30 20 IKED Cc1ccc(-c2csc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)n2)cc1 462195798 MXPIPYKOGBYMBU-UHFFFAOYSA-N 441.560 5.765 30 20 IKED Cc1ccc(C(=O)N[C@@](C)(C#N)C(C)(C)C)cc1NC(=O)c1ccc(Br)cc1 464160411 BUQJXFVLFLSPBU-QFIPXVFZSA-N 442.357 5.068 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nc(C2CCCCC2)no1 464698518 ZRENUMZXIDDIHQ-QGZVFWFLSA-N 446.576 5.772 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1nnc(-c2cc3ccccc3o2)s1 470530223 QSDGKCVGGQTXIB-QZTJIDSGSA-N 429.505 5.255 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCC[C@@H](c4ccc(F)cc4)CC3)ccc21 470543117 LFHSBYBGXQJVSR-LJQANCHMSA-N 448.542 5.210 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3ccccc3Oc3cccc(F)c3)C2)n1 471256533 DOGKHIWMKFRPNM-LJQANCHMSA-N 430.483 5.048 30 20 IKED CCN(C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1CCN([C@H](C)c2ccccc2)C1 473816166 HDIRYBSBVBCSAR-KCZVDYSFSA-N 436.625 5.628 30 20 IKED N#C[C@H](C(=O)c1ccc(F)c(I)c1)c1nc(-c2ccccc2)cs1 477873334 GOQSNIUESHJUML-CYBMUJFWSA-N 448.260 5.044 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccccc2NC(=O)N2CCCC2)cc1 480703767 KHXWLDMSGBRBPZ-UHFFFAOYSA-N 442.544 5.589 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 480834324 YTDBNHCDSJMKTJ-BMIGLBTASA-N 439.375 5.115 30 20 IKED CN(C)C(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 481855034 JASLXPLISONRHT-MRXNPFEDSA-N 444.343 5.309 30 20 IKED O=C(N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)N1CCC[C@@H](C(F)(F)F)C1 482329145 GGOTYLKMYPSJTJ-ZYHUDNBSSA-N 438.290 5.173 30 20 IKED C=C(C)CN1CCC(N[C@@H](C)c2sc(-c3ccccc3Br)nc2C)CC1 482639136 ROEQQWGBNDYLRM-HNNXBMFYSA-N 434.447 5.572 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCSC[C@H]2c2cccc(C(F)(F)F)c2)cc1 483872869 PIGHQECGTYKLGA-IBGZPJMESA-N 433.499 5.829 30 20 IKED Cc1cc(NC(=O)c2occc2COc2cccc(C#N)c2)ccc1Oc1ccncc1 487703492 UXKOTUWVCLRBKZ-UHFFFAOYSA-N 425.444 5.478 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1ccccc1C 488906697 ZDTKEHLXHLYTPI-SELVFMLMSA-N 436.625 5.005 30 20 IKED C=CCn1c(SCCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccccc1C 488909402 MITQVXGSPVGDOZ-UHFFFAOYSA-N 446.498 5.579 30 20 IKED CCCc1noc2nc(C3CC3)cc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)c12 489106429 VVQQMHWZRHKIFB-UHFFFAOYSA-N 442.441 5.129 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2cccc(-c3noc(C(F)(F)F)n3)c2)c1 490450873 TTWRGIWMSLLOJG-UHFFFAOYSA-N 431.374 5.082 30 20 IKED CSCC[C@H](C)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 496339405 FTQKARYUGDJUKL-LBPRGKRZSA-N 442.532 5.230 30 20 IKED CCc1nc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nn1-c1ccccc1Cl 499212150 PEUJTCMFFZDRCZ-OAHLLOKOSA-N 433.924 5.097 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccccc1F 501109262 RWZRUVDHUDUOBS-CYBMUJFWSA-N 441.919 5.827 30 20 IKED Cc1ccc(CN(Cc2ccco2)C(=O)Nc2cccc(C#Cc3ccccn3)c2)s1 503228004 YKFREWLSUFFWEF-UHFFFAOYSA-N 427.529 5.679 30 20 IKED O=C(CCc1ccccc1OC(F)(F)F)Nc1ccc(F)cc1OCC(F)(F)F 505549170 AAHOEQKAMIXENJ-UHFFFAOYSA-N 425.300 5.237 30 20 IKED C[C@@H](c1ccccc1Cl)N(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C1CC1 507811174 YLJZQUACJISEIE-INIZCTEOSA-N 425.935 5.319 30 20 IKED C=C(C)CCc1noc(CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)n1 508686661 OVCRTQYKRHBGET-UHFFFAOYSA-N 441.944 5.424 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](CC(F)(F)F)c2ccccc2)cc1 510661766 JYYYVCYNZSNRKT-FQEVSTJZSA-N 425.410 6.166 30 20 IKED Cc1nc(-c2ccc([C@H](C)NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2)cs1 510859469 LASSWKBFEUYBQZ-KRWDZBQOSA-N 446.576 5.304 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1ccc(-c2ccc(Cl)s2)nc1)c1ccccc1 512866922 XGTKDMBNIXIXCY-UHFFFAOYSA-N 438.940 5.129 30 20 IKED C[C@H](C#N)CN(C(=O)Nc1ccc(COc2ccc(Br)cc2)cc1)C1CC1 513899153 XKUXDJZYKNOITI-OAHLLOKOSA-N 428.330 5.184 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@@H](C[C@H]3CCOC3)c3ccccc3)cc2)ccn1 514696787 RMNBRYCKVFYQMU-KOSHJBKYSA-N 428.492 5.035 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N(C)Cc1cccc(C#N)c1 515495841 NICCTGCDOSLZTR-UHFFFAOYSA-N 441.915 5.245 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C)n(-c4nccs4)c3C)n2)cc1 516269880 BOQZGJNKCCSGOO-SFHVURJKSA-N 434.546 5.173 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1 517462000 XYICAKCESNEFTQ-GAJHUEQPSA-N 436.577 6.550 30 20 IKED C[C@H](NC(C)(C)CNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccc1 520498047 RWADCOXGLVIIJJ-IBGZPJMESA-N 429.589 5.569 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc4nc(N5CCCC5)sc4c3)cc2)nc1 521086523 YAMMSHPVLSBGMC-UHFFFAOYSA-N 441.516 5.208 30 20 IKED Cc1cc(COc2ccc(C(=O)Nc3ccc(C#N)c(Cl)c3)cc2Br)on1 521384814 CTUCPQXXQJLMRT-UHFFFAOYSA-N 446.688 5.102 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1OCC 524114082 MPIXGCVBCMKZOX-QGZVFWFLSA-N 434.492 5.019 30 20 IKED CCN(CC)[C@H](C(=O)Nc1nc(C)c(SCC#N)s1)c1cccc(C(F)(F)F)c1 524367705 ZHDWMKMBKOMFLT-HNNXBMFYSA-N 442.532 5.108 30 20 IKED C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 533505201 FCDAEEXCYSBWBN-AREMUKBSSA-N 440.572 5.271 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](OC1CCOCC1)c1ccccc1 535462110 PKEFOGVDVHMYMV-SANMLTNESA-N 442.515 5.534 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1cc(F)c(Cl)cc1Cl 537040972 HFLHGAGTPDMWCP-CHWSQXEVSA-N 440.371 5.816 30 20 IKED CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)c(C)c1 537552911 NLNQUPZSSFFNKO-SFHVURJKSA-N 427.504 5.440 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NCc1cc(C#N)ccc1F 541645357 PPEPAKJMLRDTLL-LBPRGKRZSA-N 430.346 5.743 30 20 IKED C[C@@H](N[C@H](C)c1ncc(-c2ccccc2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 542571150 LDEPFUGQIOBUHX-HZPDHXFCSA-N 434.565 5.221 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2ccc(OC3CCC3)cc2Cl)n1 542947438 FMQHVLOSADMPFK-UHFFFAOYSA-N 427.291 5.234 30 20 IKED C[C@H](NC(=O)C(=O)Nc1cccc2ccsc12)c1ccc(-c2cccc(C#N)c2)cc1 542998608 LGMGAYLGAQBVLN-INIZCTEOSA-N 425.513 5.256 30 20 IKED O=C1C[C@@H](c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)c2ccc(F)cc2N1 544971818 GHOYWDAGVPSQJK-CYBMUJFWSA-N 445.294 5.387 30 20 IKED Cc1nn(C)c2ncc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc12 549173366 KGCFFOFGCJECIA-HNNXBMFYSA-N 442.331 5.197 30 20 IKED C=C(C)Cn1c(-c2sccc2C)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 555263649 GGCBZARMHFRXTG-GOSISDBHSA-N 446.523 5.070 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@H](c2cccc(Cl)c2)C2CCCCC2)CC1 558655502 ZKHZGIZKMNKHCE-QHCPKHFHSA-N 436.987 5.623 30 20 IKED CC(C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)(c1ccccc1)c1ccccc1 561308078 KDWQDOODBZZDAD-UHFFFAOYSA-N 428.507 5.073 30 20 IKED CN(C)CCCCC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 561722149 ITEAOFIOEHLFJJ-CQSZACIVSA-N 438.334 5.176 30 20 IKED COc1ccc(Br)cc1-c1nc(CN[C@H](C)c2ccc(C#N)cc2)cs1 563459504 RIOKUHIMHIYUPF-CYBMUJFWSA-N 428.355 5.304 30 20 IKED COc1ccc(CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c(C(F)(F)F)c1 563921042 UVAWEOUKCNDEOE-UHFFFAOYSA-N 442.397 5.095 30 20 IKED Cn1ccnc1SCc1cccc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1 564506813 XYRJZHXYYVBTQV-UHFFFAOYSA-N 441.516 5.024 30 20 IKED COCC[C@@](C)(C#N)NC(=O)c1sc2ccccc2c1CSc1ccccc1Cl 573404889 MOBLVWHVPQZRAI-QFIPXVFZSA-N 445.009 5.896 30 20 IKED Cc1sc(Br)c(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1C 573970206 YXVOZCCAIKVFAM-UHFFFAOYSA-N 428.311 5.439 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ncc(-c3cccnc3)s2)cc1 582907995 LAECUJKDIYYJJH-UHFFFAOYSA-N 428.542 5.621 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@@H](c2ccccc2)c2ccccc21 582944564 ZAZPQNXXOGQKHW-NQIIRXRSSA-N 441.556 5.198 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1cccc(C(F)(F)F)c1 589362432 BKAPMOYQQKHXLT-CQSZACIVSA-N 426.398 5.647 30 20 IKED CCOc1cc(C(=O)Nc2sc(C)c(C)c2C#N)ccc1OCCOc1ccccc1 603445745 XDKMZZJLORLHHG-UHFFFAOYSA-N 436.533 5.345 30 20 IKED N#Cc1ccc(NC(=O)C(=O)N[C@H](CCCc2ccccc2)c2ccccc2)cc1Cl 603706484 MSTBPYNDPPWFER-HSZRJFAPSA-N 431.923 5.031 30 20 IKED Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)CSCc2ccc(C#N)cc2)n1 603756539 UYEGUUGTGBPTPX-UHFFFAOYSA-N 444.482 5.252 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(Oc4cccc(Br)c4)nc3)[nH]c12 605362515 IERGDYLUOFVAMF-KRWDZBQOSA-N 447.292 5.311 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3Cc4ccccc4-c4ccccc4C3)cn2)cc1 608790977 GMJSJNXEHVVYIH-UHFFFAOYSA-N 432.483 5.960 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C3(c4ccccc4Cl)CCOCC3)cn2)c1 609326830 JTCBUVOJRKSYPD-UHFFFAOYSA-N 433.895 5.086 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3SCc3ccco3)cc2)c1 609426945 AZRALSRDOUYQGK-UHFFFAOYSA-N 426.497 6.488 30 20 IKED Cc1cnc(-c2cccc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c2)o1 609436949 YUFKMMPKNJHRKU-UHFFFAOYSA-N 440.478 5.895 30 20 IKED N#Cc1cc(F)c(N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c(F)c1 609511579 AUQGLTPNLPLJDF-HSZRJFAPSA-N 438.522 5.530 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(-n4cccn4)c3)cc2Cl)c1 609724384 UPTMSPHBAKKHSH-UHFFFAOYSA-N 428.879 5.229 30 20 IKED Cn1c(CCNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)nc2c(F)cccc21 609732851 MEOWYIQYACLJCN-UHFFFAOYSA-N 448.885 5.002 30 20 IKED CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 610987290 QFHJWUYPNSTHRY-LOSJGSFVSA-N 447.579 5.190 30 20 IKED C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612804184 DAGPYIQPNOLLLS-YUSALJHKSA-N 432.355 5.577 30 20 IKED O=C(CCc1ccc(-c2ccccc2F)o1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618300675 CWPYUVJILRTJNL-STQMWFEESA-N 437.355 5.608 30 20 IKED O=C(Nc1ccccc1OCC(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618540027 NXHDDPBQDQUIQD-UWVGGRQHSA-N 438.290 5.222 30 20 IKED N#CCc1cccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)c1 619462439 UVAWTRNKIVOASS-UHFFFAOYSA-N 432.423 5.365 30 20 IKED C=CCOc1c(Br)cc(CNc2ccc3oc(CO)cc3c2)cc1OCC 630068868 AOZBIHCFZGPRCZ-UHFFFAOYSA-N 432.314 5.263 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)ccc1OCc1ccc(Cl)cc1 642281430 GNXJUBFVDUIETD-GOSISDBHSA-N 432.863 5.559 30 20 IKED CC[C@H](C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 674491866 GZZGZICFMDHUKB-YJNKXOJESA-N 449.357 6.225 30 20 IKED CCOc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1 674569592 DIMIVLASILIHDN-GHMZBOCLSA-N 438.290 5.309 30 20 IKED C=CCn1c(SCc2cc(-c3ccc(OC)cc3)no2)nnc1-c1cccc(OC)c1 675774368 HIUQKQXXRYSFFO-UHFFFAOYSA-N 434.521 5.096 30 20 IKED Cc1ccc(F)cc1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728062190 JDGAEFCDOLBJAN-MRXNPFEDSA-N 437.902 5.677 30 20 IKED Cc1oc2c(CN(CCC#N)CC(C)(C)C)c(O)ccc2c(=O)c1-c1ccccc1Cl 729468415 SSKUGAUDBBYLPM-UHFFFAOYSA-N 438.955 5.889 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2csc(C(=O)O)c2)cs1 730150003 NWZKFZHYAWOVJK-DAXSKMNVSA-N 432.910 5.137 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)ccc1F 730480987 DUQHFQZKPBXMGF-UHFFFAOYSA-N 437.496 6.025 30 20 IKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nnn1-c1ccc(F)c(Cl)c1 731165649 ATSPXXRDOMUBGX-HXUWFJFHSA-N 445.885 5.276 30 20 IKED CC(C)(C)OC(=O)N[C@H](CCC(=O)N(CCC#N)c1ccc(F)cc1)c1ccccc1 732093590 IDCCKIGUIHNNNM-OAQYLSRUSA-N 425.504 5.119 30 20 IKED COc1cc(C)c(C(=O)/C=C\c2ncc(-c3ccc(Br)cc3)[nH]2)cc1OC 732714123 MDGNFDQJMVEQQX-HJWRWDBZSA-N 427.298 5.061 30 20 IKED CC[C@@H](C#N)Oc1cc(CNCc2cn(Cc3ccccc3)c3ccccc23)ccc1OC 733329906 FFAIBUYOCZNLKI-DEOSSOPVSA-N 439.559 5.669 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2SC2CCCC2)ccc1OC 733619564 BEFKWSGRMBTWDL-GOSISDBHSA-N 439.581 5.733 30 20 IKED Brc1ccc(-c2nc3ccccn3c2C=NNc2cnnc3ccccc23)s1 733748045 CZCNFPWVOIMQEZ-UHFFFAOYSA-N 449.337 5.215 30 20 IKED CC[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Cl)s1 734075153 ZTNUJLWVLOJIRS-RBUKOAKNSA-N 437.952 5.263 30 20 IKED N#CCOc1ccc(Cl)cc1COC(=O)c1csc(-c2ccc(Cl)s2)n1 735347806 NQDPHQXEMCOJFR-UHFFFAOYSA-N 425.318 5.438 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C)s2)[n+]2cc(O)cc(Cl)c2)c1 738006074 DTASZKBLIXDMJE-UHFFFAOYSA-O 427.958 5.008 30 20 IKED COc1cc(C#N)ccc1OCCSc1ncc(-c2ccccc2)n1CC(F)(F)F 740766818 MVPWUSGDZHOPRV-UHFFFAOYSA-N 433.455 5.164 30 20 IKED O=C(/C=C\c1ccc(-c2ccccc2Cl)o1)c1ccc(S(=O)(=O)CC(F)F)cc1 741852631 PFCVWKHEOFGBCF-XFFZJAGNSA-N 436.863 5.535 30 20 IKED C[C@@]1(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCCN(C(=O)c2ccccc2)C1 741901395 HTLBSJNIMGVKPV-LEAFIULHSA-N 437.543 5.223 30 20 IKED CSc1cccc([C@H](NC(=S)Nc2ccccc2C#N)c2ccc(F)c(F)c2)c1 743016056 RTNCAZBWPGHZBW-NRFANRHFSA-N 425.529 5.634 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2C[C@@H](C)C[C@H]2c2ccccc2F)c1=S 743374150 OXLHXAYPJRIPJK-UWJYYQICSA-N 438.572 5.455 30 20 IKED CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C#N)o2)NC(=S)N1c1cc(C)ccc1C 743738641 BYAIGSBACJJWAQ-QHCPKHFHSA-N 442.544 5.117 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)OCc3nnc(-c4cccc(F)c4)o3)cc2)cc1 745003284 CKUHHOJBZUBIAE-UHFFFAOYSA-N 429.407 5.091 30 20 IKED C[C@H](CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)C(=O)c1cccc(F)c1 747112408 DTQWBKGVUAMQHV-DOMZBBRYSA-N 428.435 5.313 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)cc1OC 748287836 IBLLUZXFXJEUJS-DHDCSXOGSA-N 449.551 5.320 30 20 IKED CC(=Nn1c(S)nnc1COc1c(Cl)cccc1Cl)c1ccc2ccccc2n1 749809618 HNKUGENUQIIUTA-UHFFFAOYSA-N 444.347 5.273 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2C)cs1)c1ccc(F)cc1F 756787338 NOCKZCXABAYPAE-VQHVLOKHSA-N 443.431 5.219 30 20 IKED N#Cc1ccccc1-c1ccc(COC(=O)[C@H](OC2CCOCC2)c2ccccc2)cc1 758732631 JSAIPEWQHUBEGW-AREMUKBSSA-N 427.500 5.205 30 20 IKED CCC[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(F)cc1F 759075950 QVXDKIKXPSZGSX-VWNXMTODSA-N 447.485 5.216 30 20 IKED CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(F)cc2OCC#N)cc1 760792341 NNAYLDXKCWLRHR-UHFFFAOYSA-N 440.478 5.395 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCc3cc(-c4ccccc4)ccc32)ccc1OC 767004867 VRNBINUOROBZRA-QHCPKHFHSA-N 441.531 5.315 30 20 IKED C#Cc1cccc(NC(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1 769220875 CNGQOLCXGDJSEC-GOSISDBHSA-N 442.359 5.311 30 20 IKED N#C[C@H](COC(=O)CCc1ncc(-c2ccccc2Br)o1)Cc1cccs1 772733757 MGKKHDMGQCYZDU-CQSZACIVSA-N 445.338 5.024 30 20 IKED C[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc2ccccc2c1OC(F)F 777112760 IGZFBQGUWXNJNF-MRXNPFEDSA-N 437.490 5.447 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@H](C)C[C@H]2c2cccc(OC)c2)c1=S 784013224 VJTSVXJSSOXYII-GCJKJVERSA-N 435.597 5.101 30 20 IKED C[C@@H](NC(=O)[C@@H](C#N)C(=O)c1cnc(-c2ccccc2)s1)c1ccc(Cl)cc1Cl 787054856 XXSAHVHTXMECHV-WBMJQRKESA-N 444.343 5.317 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2c(-c3ccc(C(F)(F)F)cc3)noc2C)c1 790642852 DCWIAKBGUXYMAH-GOSISDBHSA-N 443.425 5.280 30 20 IKED N#C[C@@H](C(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1cnc2ccccc2n1 792111590 VRPBGVZUIZMPKE-MZNJEOGPSA-N 431.854 5.419 30 20 IKED C[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 795984942 WWJNXGXHQYCWFG-ZFWWWQNUSA-N 430.291 5.735 30 20 IKED Cc1ccc(N2CCOCC2)cc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 797596979 BZUXWBNNGBVKLD-UHFFFAOYSA-N 447.922 5.401 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 801628671 LKXFTNNPQPCUFO-VQIMIIECSA-N 446.617 5.238 30 20 IKED COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3cc4c(C)nn(C)c4s3)c2)cc1 806579131 WUCGPRSGVISLSG-GHXNOFRVSA-N 431.517 5.100 30 20 IKED CC(C)(C)OC(=O)N1CCc2cccc(/C=C/C(=O)c3ccc(Br)nc3)c21 811698312 ZJUDCYDYZWWLKS-VQHVLOKHSA-N 429.314 5.038 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(Cl)cc1)[n+]1cc(O)cc(-c2ccccc2)c1 811723573 HXRYZILTBAJFCB-UHFFFAOYSA-O 437.972 5.377 30 20 IKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H](c1nccs1)C(F)(F)F 818321242 FASHYDWIBHZKKG-UDSFMNFJSA-N 448.310 5.614 30 20 IKED N#Cc1ccc(Br)c(CNc2cccc(C[S@](=O)Cc3ccccc3)c2)c1 864011489 GGJGKISMCIMYGW-HHHXNRCGSA-N 439.378 5.382 30 20 IKED CCOc1cc(/C=C2/CCc3ccccc3C2=O)ccc1OCC(=O)Nc1ccccc1 916135724 LBEXYALHGQKZDE-PGMHBOJBSA-N 427.500 5.315 30 20 IKED N#CCOc1ccc(C(=O)/C=C\c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 916151858 FYEPVCVZUXSHDG-WZUFQYTHSA-N 434.835 5.839 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2cccc(OCC#N)c2)cc1 916410718 IOUGRLDMYQFYGG-UHFFFAOYSA-N 425.488 5.317 30 20 IKED Cc1ccc(C(C)C)c(OCC(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1 916884221 SXCMQRWYKBEHLS-GOSISDBHSA-N 432.492 5.160 30 20 IKED Cc1ccc(OCCCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916907693 ZRDQOXQXQIIPCO-JOCHJYFZSA-N 428.488 5.294 30 20 IKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C(C)C)c3)N(C3CC3)C2=O)cc1 917712951 JKBYGBYGSCOCGY-JOCHJYFZSA-N 449.576 5.135 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5cccnc45)cc3)CCC2)cc1 1788910987 VFQLNKMOIKTMHF-UHFFFAOYSA-N 446.510 5.168 30 20 IKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4cc[nH]c4cc3F)cc2)CCC1 1790068839 IDFMUDBWVGNPHC-OAQYLSRUSA-N 439.556 5.009 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)CCC1 1790398050 VEZJQTXPAVAVMS-UHFFFAOYSA-N 437.490 5.056 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C(C)C)C2 1798337836 ITUOYSGGLUEVHP-VHJOFQCFSA-N 443.031 5.486 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2ccccc2C)[C@H]1c1cccnc1 1810501267 AQFULRQCDWWFRM-AHWVRZQESA-N 447.623 5.021 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3cccnc23)[nH]n1 1814828953 HTIGAVDGAPDALQ-JOCHJYFZSA-N 443.551 5.032 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3oc4ccccc4c3C)sc2C1 1818212944 UQQCEVWNHPIIJP-IAGOWNOFSA-N 449.576 5.192 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ccn(C)c23)n[nH]1 1818724139 ABXNFPKCHWXYKI-NRFANRHFSA-N 447.583 5.200 30 20 IKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](CCC)CC2)[nH]n1 1821988488 WEDZRMFQYNYYGN-LNLFQRSKSA-N 436.547 5.220 30 20 IKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccoc2C)CC1)c1ccccc1 1825912126 UDAPIXITZOTFPD-FTJBHMTQSA-N 446.591 5.019 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2)CC1 1826500276 QVJSJYMBVUYBJG-DEOSSOPVSA-N 443.031 5.271 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](CCC)n2cccc2)CC1 1827626982 WXZXGHYGGAHJNA-JWQCQUIFSA-N 439.644 5.217 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(F)c2F)CC1 1828827481 NWHVRCPJJNEOTQ-OFNKIYASSA-N 444.566 5.275 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccsc2)CC1 1829065808 CWNZOQPACFHSSB-HYGBKTPJSA-N 428.642 5.373 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccncc23)CC1 1830859460 ZNGBAYKAEFPBEJ-RUZDIDTESA-N 447.623 5.461 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2ccc(C)cc2)cc1 10173103 BPUJMTKLSQAVHN-UHFFFAOYSA-O 444.407 6.203 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nc2sc3c(c2c1=O)CCC3 20047610 DEOJHRWCZDBJGG-CYBMUJFWSA-N 436.562 5.036 30 20 IKED C=CCn1c(SCc2noc(C(C)(C)C)n2)nc2scc(-c3ccccc3)c2c1=O 28010351 JQAAFNGFFHURIX-UHFFFAOYSA-N 438.578 5.284 30 20 IKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 28649098 KWAKYGBIODGSQF-UHFFFAOYSA-O 447.580 5.094 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc3ccccc3c2)nnc1-c1ccoc1C 36848958 NMGVPVQOXXYYNB-MRXNPFEDSA-N 432.549 5.155 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccccc1CN(C)C1CCCCC1 63403161 JEOKUSWXSPQUSK-UHFFFAOYSA-N 430.596 5.221 30 20 IKED Cc1ccc(-n2ncc(/C(O)=N/c3nc(-c4ccccc4Cl)n[nH]3)c2C(F)(F)F)cc1 97576532 YEARGNIGMZVOPH-UHFFFAOYSA-N 446.820 5.274 30 20 IKED CCOC(=O)C1C/C(=C/c2ccc3ncccc3c2)C(=O)/C(=C/c2ccc3ncccc3c2)C1 110757769 HZOPUFXPYVPSHQ-REPVBDINSA-N 448.522 5.792 30 20 IKED CC(C)OCCCn1c(SCc2ccc(F)cc2C#N)nc2cc(Cl)ccc2c1=O 112529730 OPYRWVVJTYIDAY-UHFFFAOYSA-N 445.947 5.168 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)nnc1-c1ccccc1F 195677255 VIRPGYAURUWOGC-OAHLLOKOSA-N 444.963 5.235 30 20 IKED Cc1noc(CSc2ccccc2C(=O)Nc2cccc(C#Cc3ccccc3)c2)n1 248051632 XJAQAGMQXIRJJB-UHFFFAOYSA-N 425.513 5.322 30 20 IKED N#CCC[C@@H](Nc1nc(-c2cnccn2)nc2sc3c(c12)CCCC3)c1ccccc1 301770353 FPYJYNQXUUWDAZ-GOSISDBHSA-N 426.549 5.484 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H](c4ccccc4)CC3)c2)cc1 303218263 UGGWIQWCTJLAJA-RUZDIDTESA-N 439.559 6.133 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 409810810 JGAZMIYMRHOLOH-BKMJKUGQSA-N 441.531 5.948 30 20 IKED C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1Br 410375743 ZGJFFPALMBIBTR-LLVKDONJSA-N 445.791 5.155 30 20 IKED Cc1c(-c2nc(CC(=O)Nc3ccccc3C(F)(F)F)no2)sc2ccc(C#N)cc12 426451475 QOKPLOIOVQLCTM-UHFFFAOYSA-N 442.422 5.331 30 20 IKED COc1cc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)ccc1C(F)(F)F 426942557 LWFAGXFCXRKMKH-UHFFFAOYSA-N 447.310 5.310 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3c(-c4ccncc4)nc4ccccn34)c2)cc1 430667275 MZTPDIZWRNLKOK-UHFFFAOYSA-N 445.482 5.099 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 433854698 PJHCEFPVMSIXPG-ZDUSSCGKSA-N 425.480 5.002 30 20 IKED CN(Cc1cc(Cl)ccc1F)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 434150210 KGCFEDMUGQSZMJ-UHFFFAOYSA-N 437.902 5.788 30 20 IKED COc1ccc([C@@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)c2c[nH]c3ccccc23)cc1 435326626 JQIFZMQPIVUKNQ-XMMPIXPASA-N 435.527 5.028 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cnn1Cc1ccccc1 437464590 BFAVLTPMDWYIAB-UHFFFAOYSA-N 426.451 5.295 30 20 IKED COc1ccccc1O[C@H](C)CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438674801 YKAQKTLRXHJDAE-MRXNPFEDSA-N 435.455 5.087 30 20 IKED CC(C)(C)c1ccccc1NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 439310553 UCIBEWPANXGREF-UHFFFAOYSA-N 445.494 5.151 30 20 IKED COc1cccc(Oc2ncccc2CNC(=O)c2cn(CCCC#N)c3ccccc23)c1 444241240 FIGUVKDMUGAWKN-UHFFFAOYSA-N 440.503 5.071 30 20 IKED N#Cc1ccccc1Oc1ccc(-c2nc(CC(=O)Nc3ccccc3F)no2)cc1Cl 445297072 JRKCCCCUWSMVCM-UHFFFAOYSA-N 448.841 5.374 30 20 IKED N#Cc1cc(NC(=O)N(CCCCO)C2CC2)ccc1Oc1ccc(C(F)(F)F)cc1 447065278 ANLYIBNPKWIYMP-UHFFFAOYSA-N 433.430 5.138 30 20 IKED FC(F)(F)CCN1CCC(N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)CC1 463263575 CXTMQOXAQDCUFM-HNNXBMFYSA-N 436.362 5.705 30 20 IKED COc1cccc(OC)c1Oc1ccc(CNc2ccc(C(F)(F)F)c(C#N)c2)cn1 463425555 UMZDCUYVXJULRS-UHFFFAOYSA-N 429.398 5.394 30 20 IKED CCO[C@H](C)c1nc(CN(C)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cs1 463995385 LICWHIPAPJHQEK-QGZVFWFLSA-N 435.549 5.371 30 20 IKED CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 464949499 OAROSRJOJIICSH-CTNGQTDRSA-N 438.959 5.172 30 20 IKED CO[C@@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(Cl)cc1 466089498 BPNQEYUDIWGKNL-DEOSSOPVSA-N 449.938 5.494 30 20 IKED C=CCn1c(SCc2nc([C@@H](C)OCC(C)C)no2)nnc1-c1ccc(Cl)cc1 466612964 APSRJCZKAUFLGI-CQSZACIVSA-N 433.965 5.193 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCC(=O)c2ccc(Cl)cn2)cc1 469497197 FGLFUBNMRZQETJ-UHFFFAOYSA-N 435.867 5.009 30 20 IKED COC(=O)c1nc([C@@H]2CCCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)sc1C 471271693 CRDQYTFCXKQTCL-BBRMVZONSA-N 444.582 5.001 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 480342129 LBYQMSCKCFDQBK-IRXDYDNUSA-N 434.005 5.231 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(O)(Cc4ccc(F)cc4)CC3)cc2)cc1 480799948 LUKQAJIIYRWWDW-UHFFFAOYSA-N 445.494 5.091 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)C(=O)Nc1cccc(C)c1C 481350758 RAEXLPCSWYDUSU-LJQANCHMSA-N 436.581 5.088 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(Cl)c1Br 482080238 UDPVEPWJJKVCOG-UHFFFAOYSA-N 425.758 5.490 30 20 IKED CCc1c(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cnn1-c1ccccc1Cl 485352743 FKHHVTGEBNHKIN-GCJKJVERSA-N 433.943 5.392 30 20 IKED C=CCSc1ccccc1NC(=O)CNc1cc(Cl)ccc1OC[C@@H]1CCOC1 488143663 FBBSWHDHQBEZEF-MRXNPFEDSA-N 432.973 5.084 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCCN3C(=O)c3ccco3)cc2Cl)cc1 490741755 CFXSMJMROCZKHC-FQEVSTJZSA-N 449.894 5.230 30 20 IKED Cc1ccc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)cc1NC(=O)c1ccco1 501184604 CXKWOFIIULPJAL-UHFFFAOYSA-N 428.473 5.088 30 20 IKED Cc1cc(C)n(Cc2cccc(-c3noc(-c4ccc(Oc5ccc(C#N)cn5)cc4)n3)c2)n1 504867506 RQVYWZITPBKPSP-UHFFFAOYSA-N 448.486 5.324 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 505011564 XKIGPBPTPDZWNW-UHFFFAOYSA-N 427.932 5.047 30 20 IKED CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1 506198991 MENMTLBTNQLFDL-HSZRJFAPSA-N 427.932 5.152 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 508292363 MUNDCEGCZUFCID-HSZRJFAPSA-N 443.503 5.737 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cccnc2OC2CCCC2)cc1 509489774 WRPDMRFYHQILNO-UHFFFAOYSA-N 443.572 5.497 30 20 IKED C[C@@H](N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(C#N)cc1F 512631224 QAFSXVSYNKNINQ-IQMFZBJNSA-N 442.943 5.194 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1 516390335 DYSGIHIBLICELG-QHCPKHFHSA-N 432.520 5.203 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1 517455570 SGZVDTGGUXZQTH-OAHLLOKOSA-N 432.505 5.306 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(NC(=O)NC(C)C)cc1 517731958 FDSFLQFXVQFSLP-UHFFFAOYSA-N 428.492 5.441 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1OCC(C)C 517800721 DQGFPWHRCZMCPX-IBGZPJMESA-N 431.517 5.215 30 20 IKED N#C[C@@H]1CN(C(=O)c2sc3ccccc3c2CSc2ccccc2Cl)CCO1 517985356 LEGOSBKMDYASOX-CQSZACIVSA-N 428.966 5.212 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N1CCC[C@@H]1c1ccsc1 518565205 JYUFEUVALTZNOF-JOCHJYFZSA-N 431.517 5.023 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1c(C)cccc1OC(F)F 520265608 KOPMFHSDEGYKFY-UHFFFAOYSA-N 443.263 5.718 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2coc(-c3cccs3)n2)cc1 520468880 CIGGCIYDMSENDC-UHFFFAOYSA-N 431.542 5.497 30 20 IKED CC1CCN(Cc2ccc(CNC(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)CC1 521258566 APDXNPAIMSVGLM-FQEVSTJZSA-N 436.625 5.492 30 20 IKED N#C[C@H](C(=O)c1sccc1Br)c1nc(-c2c(F)cccc2F)cs1 521260615 GTPYPCNYSMPNFK-MRVPVSSYSA-N 425.279 5.402 30 20 IKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 521606051 FGGSYDGTUOCBKP-OAHLLOKOSA-N 431.492 5.933 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N(CC(F)(F)F)c2ccccn2)c1 523957125 OZXDXBWHCLWSQW-UHFFFAOYSA-N 431.801 5.608 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CSC[C@H]3CCCCO3)cc2Cl)c1 524393120 OLFSNVNCSNGGNG-LJQANCHMSA-N 430.957 5.031 30 20 IKED CC[S@@](=O)c1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524422974 QCLWHUNQIUWUQK-SSEXGKCCSA-N 438.936 5.170 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc4onc(C(C)(C)C)c4c3)n2)cc1 524433221 SUXVGEZEFPEHFZ-KRWDZBQOSA-N 432.505 5.142 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)cc1 525418516 GDIGXLOGWKLAMW-WMZHIEFXSA-N 449.913 5.802 30 20 IKED N#C[C@H](NC(=O)c1occc1CSc1ccccc1)c1ccc(OC(F)(F)F)cc1 534333907 KMYQQGDOKKVYOL-SFHVURJKSA-N 432.423 5.465 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 536281402 PMSOUOCAYUFEMW-HNAYVOBHSA-N 447.507 5.145 30 20 IKED C=CCC[C@H](N[C@@H](C)c1cccc(NS(C)(=O)=O)c1)c1ccc(C(F)(F)F)cc1 540148856 HFDCBZBRUKITPS-YWZLYKJASA-N 426.504 5.435 30 20 IKED Cc1cc(-c2cc(C(=O)[C@H](C#N)c3nc4ccccc4[nH]3)c3cnn(C(C)C)c3n2)c(C)o1 540744421 JHPURTBETKMEFY-SFHVURJKSA-N 438.491 5.255 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC[C@H]2c2cccc(Cl)c2)n1 541100228 DFOVJLQUZJUPIG-SFHVURJKSA-N 426.307 5.420 30 20 IKED CN(C(=O)c1cnn(CCC(F)(F)F)c1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 541271015 CJOHTUUPWAICQE-ZDUSSCGKSA-N 447.301 5.230 30 20 IKED O=C(CCc1ccccn1)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 542171631 HGWDQXYEUYUNBH-HNNXBMFYSA-N 444.297 5.472 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@H](C)C[C@@H]1c1cccnc1 542674891 WEGXVPAYBAQXSM-AVRWGWEMSA-N 426.520 5.456 30 20 IKED CN(Cc1noc(-c2ccc(Sc3ccccc3C#N)cc2)n1)C(=O)c1ccccc1 545728449 YEKOFWKJZVQZTM-UHFFFAOYSA-N 426.501 5.032 30 20 IKED CCC[C@@H](NC(=O)c1ccccc1)c1noc(-c2ccc(COc3ccc(C#N)cc3)o2)n1 547192945 UZKKFURPKWBPDJ-OAQYLSRUSA-N 442.475 5.051 30 20 IKED Cc1ccc(C)c(SCc2cccc(C(=O)N3CCC(C#N)(c4ccccn4)CC3)c2)c1 548772420 YHVIRNVMHXLSLR-UHFFFAOYSA-N 441.600 5.688 30 20 IKED CC(C)(c1noc(-c2cnc(C(F)(F)F)c(C#N)c2)n1)c1ccccc1Br 551084627 AZDRFUQFDUMJMV-UHFFFAOYSA-N 437.219 5.110 30 20 IKED CCOC(=O)C(C)(C)C1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 554179509 OJQHUUUFIAUCBE-UHFFFAOYSA-N 435.524 5.184 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 554932468 UZLQNRCXUTWIFX-IODBPXAYSA-N 444.579 5.305 30 20 IKED N#Cc1ccc2c(c1)N(C(=O)c1ccccc1Sc1ccc(Br)cn1)CC2 555771896 IGJUAFMDQCDFAU-UHFFFAOYSA-N 436.334 5.070 30 20 IKED N#Cc1ccncc1C(=O)Nc1nc(C2CC2)c(Cc2cccc(C(F)(F)F)c2)s1 564090412 MLUDKLWDUDEULH-UHFFFAOYSA-N 428.439 5.149 30 20 IKED C[C@H](Cc1cncc2ccccc12)C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 564144009 ODXMZMWOMBNIJM-NFQMXDRXSA-N 435.527 5.373 30 20 IKED CCO[C@H](c1noc(C[C@@H](CC#N)c2ccccc2)n1)c1ccc(F)cc1C(F)(F)F 571005507 MNLTXLTYILRNIH-QRWLVFNGSA-N 433.405 5.593 30 20 IKED C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@@H](CCCC#N)c1ccccc1 571229274 AJQQPSQTBQCPEL-BEFAXECRSA-N 437.893 6.101 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@H](CC(F)(F)F)c3ccccc3)cc2)ccn1 573732412 CESNIBQGUKSRTA-HXUWFJFHSA-N 426.398 5.561 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)s2)cc1 603649024 QKMYWYRJQNILIQ-LJQANCHMSA-N 445.573 5.584 30 20 IKED CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 603649094 WEDLBUCOZFSRKZ-UHFFFAOYSA-N 446.454 5.168 30 20 IKED N#CCc1ccc(NC(=O)N(CCO)Cc2cccc(OCc3ccccc3Cl)c2)cc1 603650879 KHWGIOKJKMCATM-UHFFFAOYSA-N 449.938 5.011 30 20 IKED Cc1nc2c(cc1C(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)c(C)nn2C 603765910 CVKXLVRSAKNDGX-OAQYLSRUSA-N 429.911 5.146 30 20 IKED COCc1cccc2sc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)nc12 609186696 JRQHUPOAKKTAJC-UHFFFAOYSA-N 429.501 5.146 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ccc2c(c1)NC(=O)CCS2 609526072 NLDWFYKCBQMNDY-UHFFFAOYSA-N 445.519 5.287 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(COc4ccccc4C#N)c3)cn2)c1 609627656 NDGIKXHTSCCJLI-UHFFFAOYSA-N 446.466 5.449 30 20 IKED COc1c(C)cnc(CN(C)C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1C 609730651 CHCPUXWOYMKACD-UHFFFAOYSA-N 435.911 5.297 30 20 IKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1 609939691 QCRIANVTTQGFKR-QHCPKHFHSA-N 427.504 5.193 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(CN4CCSCC4)c3)c2)cc1 609987911 PGRKXPLYJHBBRQ-UHFFFAOYSA-N 428.561 5.103 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 610095258 MEOJVXSVRACIRN-RDJZCZTQSA-N 428.533 5.455 30 20 IKED COc1cc(CS(=O)(=O)CCC2CCCCC2)ccc1OCc1cccc(C#N)c1 610316076 FROQACGPUSTEGY-UHFFFAOYSA-N 427.566 5.031 30 20 IKED C=CCn1c(SCC(=O)N(CC)[C@@H](C)c2ccc(F)cc2)nnc1-c1ccc(F)cc1 613937134 GLIFOGCQDCEIQQ-INIZCTEOSA-N 442.535 5.111 30 20 IKED Cc1ccc(-c2ncc(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)s2)c(C)c1 615817733 ZJEWZBWPSOAFRG-UHFFFAOYSA-N 444.560 5.262 30 20 IKED O=C(Cc1cccc(F)c1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622516875 SPEFWJDWFJJETI-QGZVFWFLSA-N 435.339 5.006 30 20 IKED O=C(N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1)C1(C(F)(F)F)CCC1 622517958 SGNQWWIHLSJPJN-ZDUSSCGKSA-N 449.313 5.357 30 20 IKED C=CCOc1ccc(C(=O)N(Cc2ccccc2)[C@@H](C)c2cccc(NC(C)=O)c2)cc1 642018727 MRJRHMOGZFOUHO-FQEVSTJZSA-N 428.532 5.613 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 642282317 CPWJBDSVJMOYPA-CQSZACIVSA-N 426.423 5.493 30 20 IKED Cc1c(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc(C(F)(F)F)c1F 682372182 ONLDCXIQVNEMHM-MYJAWHEDSA-N 439.293 5.792 30 20 IKED C[C@@H](OC(=O)CCc1ncc(-c2ccccc2Br)o1)c1cccc(C#N)c1 727635572 LFASKRCJWBZMLZ-CQSZACIVSA-N 425.282 5.213 30 20 IKED N#C[C@H](C(=O)Cc1ccccc1C(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 729891582 LEMTUYHZRFSZLT-GFCCVEGCSA-N 428.357 5.753 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)c1ccccc1SCC#N 730242928 DKWHWEOADRPCOL-CYBMUJFWSA-N 427.982 5.879 30 20 IKED CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 730531578 RUWYZUOEAIIRCU-QHCPKHFHSA-N 449.551 5.060 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(OC2CCCC2)cc1 731072617 AJZMULVCHSLQFE-KRWDZBQOSA-N 438.549 5.198 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 731114061 DRAVOJZSYXHXCB-KRWDZBQOSA-N 446.617 5.287 30 20 IKED N#Cc1ccccc1COc1cccc(/C=C/C(=O)c2ccc(N3CCOCC3)c(F)c2)c1 731319949 SOGPAXMMIBIEGD-DHZHZOJOSA-N 442.490 5.009 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C(C)(C)Oc1cccc(Cl)c1 733013695 RYWUWKWPHWYKIL-OAHLLOKOSA-N 446.956 5.074 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2cccc(COc3cccc(F)c3)c2)ccc1OC 733935830 OMERHFGXWYMJDD-QFIPXVFZSA-N 448.494 5.024 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2ccc(-n3ccnc3)cc2)c1 735005178 OIGWKVBXHIKIMF-UHFFFAOYSA-N 428.879 5.120 30 20 IKED CN(CC(C)(C)C)C(=O)c1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 741537465 FYKQMBXSPHRWHS-RUZDIDTESA-N 439.559 5.712 30 20 IKED COc1ccc(/C=C\C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2C)c(OC)c1OC 743055823 LHGVVPWHLQRJRE-UITAMQMPSA-N 447.318 5.409 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2ccc(-c3ccccc3OC)cc2)c1 743610752 JCACCVWOCQBKFM-AUSIDOKSSA-N 443.547 5.604 30 20 IKED C[C@H](CC(=O)c1cccc(F)c1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 744075243 SKKONHOUTOEYMV-IUODEOHRSA-N 428.435 5.313 30 20 IKED CC(=O)N(c1nc(/C=C2\C(=O)c3c(O)ccc(F)c3[C@@H]2C)cs1)c1ccc(F)cc1F 746015026 KQPFOCPUBUIPQY-DOQDJBIESA-N 444.434 5.334 30 20 IKED CC1=C(C(=O)Nc2ccccc2C(C)C)[C@H](c2cc(C#N)cs2)NC(=O)N1CC1CC1 747961625 XOXNYTGZIJANJC-QFIPXVFZSA-N 434.565 5.132 30 20 IKED Cc1ccccc1-c1nn(-c2ccccc2)cc1/C=C\C(=O)c1ccc(N2CCOC2=O)cc1 748584514 RRUPGKHXEWMZFU-SSZFMOIBSA-N 449.510 5.700 30 20 IKED CC[C@@H](Oc1ccccc1Cl)C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 749028128 HWASBYFUBUYNLR-QFBILLFUSA-N 426.925 5.506 30 20 IKED C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 749679936 LIYFBWIUWOLSAG-NBGIEHNGSA-N 439.559 5.153 30 20 IKED Cc1ccc(-c2nn(CN3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c(=O)c3ccccc23)cc1 751933897 LROVKKKQJWJBTA-IZZNHLLZSA-N 434.543 5.101 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](OCCCc3ccccc3)C2)cc1 752636511 LTYLKSIDPBKKIL-RRPNLBNLSA-N 439.559 5.598 30 20 IKED CC(C)(C)OC(=O)NCc1cccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 752688547 YDHGDRDNGVXVEQ-YADHBBJMSA-N 434.540 5.015 30 20 IKED C#CCN(Cc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1)C1CCCCC1 756500879 KAWFPTHMGBSKEW-UHFFFAOYSA-N 436.408 5.902 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc1 756942469 MQXNPEHDQAMFOR-GCJKJVERSA-N 449.551 5.034 30 20 IKED C=C(C)Cn1c(SCc2nc(Cc3c[nH]c4cc(C)ccc34)no2)nnc1-c1ccco1 761901323 OUPWCZPHJXHLJP-UHFFFAOYSA-N 446.536 5.170 30 20 IKED CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C1CC1 765910710 UBEXFJMMZWQOEX-BKMJKUGQSA-N 448.567 5.157 30 20 IKED CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2cccc(OCc3cn4ccccc4n3)c2)c1 772984220 NQPFBYLSNHIWLZ-RDPSFJRHSA-N 440.547 5.445 30 20 IKED CC(C)(C)OC(=O)N1Cc2ccc(C(=O)N(CCC#N)C34CC5CC(CC(C5)C3)C4)cc2C1 776905448 CXMPDWRTRPVNDI-UHFFFAOYSA-N 449.595 5.262 30 20 IKED CC(C)(C)OC(=O)N1CCCc2c(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cccc21 778942149 XZKOUBSWQOXQNG-UPVQGACJSA-N 445.563 5.286 30 20 IKED Cc1nc(-c2ccccc2)ccc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 780305114 FWMLNLICBOEVCQ-QHCPKHFHSA-N 447.494 5.811 30 20 IKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccccc2)nc2cc(C)c(C)cc12 780306315 UXTAPSBRJYRLQT-QFIPXVFZSA-N 449.510 5.488 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@H](c3ccccc3)C3CCCCC3)ccc21 787483372 OIOLDTRBRJGIPN-AREMUKBSSA-N 444.579 5.713 30 20 IKED COc1ccccc1-c1ccc(C(=O)/C=C/c2cn(CCC#N)nc2-c2ccncc2)cc1 788356694 VDHGZASOMNYFQT-VAWYXSNFSA-N 434.499 5.430 30 20 IKED O=C(Nc1ccc(F)nc1F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 791744675 YXMAHYSSLNFEQP-MCQPLPOPSA-N 442.350 5.421 30 20 IKED CC(=O)N(c1nc(COC(=O)C[C@@H](CC#N)c2ccccc2)cs1)c1ccccc1F 795994585 YLRFMXSKUXCLHF-GOSISDBHSA-N 437.496 5.098 30 20 IKED CC(C)(C#N)c1ccc(C(=O)OCc2ncc(-c3ccccc3Br)o2)cc1 796043864 UNVJVLVMYOSKNR-UHFFFAOYSA-N 425.282 5.262 30 20 IKED CC1CCN(c2ccc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)cc2[N+](=O)[O-])CC1 797572717 GXTLLSWVTDBELL-MRXNPFEDSA-N 426.542 5.075 30 20 IKED C=CCn1c(-c2cnccn2)nn(CN(CC=C(C)C)Cc2ccc(Cl)cc2)c1=S 799164823 AWBYGLFUSBBKEF-UHFFFAOYSA-N 441.004 5.136 30 20 IKED COc1cccc2c1CC/C(=C\c1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)C2=O 799502549 MXPDVFHDJXFXSQ-NTCAYCPXSA-N 438.936 5.702 30 20 IKED C#Cc1cc(F)c(NC(=O)C(=O)Nc2ccc([C@H](C)Sc3ccccc3)cc2)c(F)c1 802573977 YWJIHHCRFGRVFX-HNNXBMFYSA-N 436.483 5.377 30 20 IKED C#Cc1ccccc1Cc1nc(-c2ccccc2-c2ccc(CN3CCCC3=O)cc2)no1 810279044 PXEVYJNCFGARAQ-UHFFFAOYSA-N 433.511 5.098 30 20 IKED CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 810283401 SWTNWGQSGJJOCB-XMMPIXPASA-N 448.498 5.108 30 20 IKED Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C\c1cnn(CC(F)F)c1 814188571 NYIALQOWTLJYHR-SREVYHEPSA-N 438.297 5.239 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1ccccc1 814531963 XBFYEHVZJBMQFC-HSZRJFAPSA-N 442.567 5.618 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NCc1cnc2ccc(C#N)cn12 816663654 DBNNWJLIRVWGTC-UHFFFAOYSA-N 431.418 5.184 30 20 IKED COc1ccccc1N=C1SCCN1C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 821739588 KQMDAENJBGMCTB-UHFFFAOYSA-N 441.940 5.199 30 20 IKED C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(SC(F)(F)F)c1 864010098 LHQZXEYFWXEWDM-HNNXBMFYSA-N 433.499 6.055 30 20 IKED Cc1csc([C@@H](C#N)C(=O)COC(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)n1 900058795 FNEFDSYNOVSBCX-DYLHUKMJSA-N 442.949 5.266 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2I)cc1 915086072 HBQLUYAZYZNUMI-IBGZPJMESA-N 438.268 5.199 30 20 IKED CC(=NNc1ccc(C(F)(F)F)cn1)c1ccc(OCC(=O)Nc2ccccc2C)cc1 916594503 GNWJZNHEIVRXSL-UHFFFAOYSA-N 442.441 5.262 30 20 IKED Cc1ccc(C(C)C)cc1OCC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916882845 DAEJAYCKVVMXRT-SFHVURJKSA-N 432.492 5.160 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1csc(-c2ccc(Cl)cc2)n1 916915963 LWBFJMJQHQDNDM-SFHVURJKSA-N 431.904 5.578 30 20 IKED Cc1c(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccccc2)sc2ccccc12 917612110 HQVISMWQIGGIKG-UHFFFAOYSA-O 428.562 5.692 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccsc4)cc3)CCC2)c1 1786944891 SZYXFUORSJTPES-BJMVGYQFSA-N 427.529 5.081 30 20 IKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)CCC2)cc1 1787885680 AENLMYOBTXDQMV-UHFFFAOYSA-N 447.922 5.651 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc4cccnc4[nH]3)cc2)CCC1 1789315755 BQRLCODOBALVJG-OAQYLSRUSA-N 428.536 5.079 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc4cncn4c3)cc2)CCC1 1789363717 HJHGQXPHHBOMMV-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(O)cc4)cc3)CCC2)c1 1790306679 FEWUVMBASLYLSF-SFHVURJKSA-N 439.515 5.081 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(Cl)s2)[nH]n1 1819302487 GLBKGDACZXRFMI-FUHWJXTLSA-N 447.004 5.128 30 20 IKED Cc1ccsc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823211027 JANVRPFQMMEIQE-OXQOHEQNSA-N 447.564 5.026 30 20 IKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1823422065 LKFANHCPEWABTN-OAQYLSRUSA-N 440.503 5.028 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)C1 1823702128 VHXSYEHKCLFFLP-FQEVSTJZSA-N 435.395 5.193 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)ccc2F)CC1 1828826952 FYKQCKDWIOULCK-XUZZJYLKSA-N 426.576 5.136 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)cc2)CC1 1828827397 MEVTTXCPNBVFLE-XZOQPEGZSA-N 429.004 5.342 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1 1829068620 IDZAWWNHTHCOAJ-QPPBQGQZSA-N 440.628 5.066 30 20 IKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)CC1 1829903432 FFCSFXPTEUVDQG-OAQYLSRUSA-N 449.422 5.420 30 20 IKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2C(F)(F)F)CC1 1829939410 OLLXDKGQPNDSCJ-QFIPXVFZSA-N 448.529 5.132 30 20 IKED CC(C)c1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 1830057944 ZSKBVSPYRLMKJE-SANMLTNESA-N 443.591 5.229 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C\c2c[nH]c3ccccc23)CC1 1831371119 ZMJBQBAWZMTEPW-XVPMPLQNSA-N 433.596 5.013 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cc3c(Cl)cccc3s2)C1 1843805043 WWROVISZNAGPHB-INIZCTEOSA-N 428.985 5.140 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(CC)cc2)cc1 10173915 RMVMNEDICFGPGT-UHFFFAOYSA-O 433.597 5.603 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(C)c(F)c2)cc1 11083049 MUWYOHUXWABHKM-UHFFFAOYSA-O 429.487 5.313 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2cccc3ccccc23)cc1 11126924 CKOMNSKKRWMCFR-UHFFFAOYSA-O 439.604 6.357 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2C)nnc1-c1ccccc1OC 16863496 MYHYIGHXCCAMRU-HNNXBMFYSA-N 442.972 5.221 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc(C(C)(C)C)cc2)s1 22732185 KKXLFHOIFNPDAQ-UHFFFAOYSA-O 441.617 6.140 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(C(C)C)no2)nnc1-c1ccc(Br)cc1 27809589 CILJCCFQFUKJJC-LBPRGKRZSA-N 434.363 5.253 30 20 IKED Cc1nn(C)c2sc(/C(O)=N/c3nnc(SCc4ccc(Cl)cc4)s3)cc12 28958906 QDZLTMSQTQNAPP-UHFFFAOYSA-N 435.987 5.377 30 20 IKED N#CCCSc1ccccc1NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 303284959 LEBBAVOFXVTXTR-JOCHJYFZSA-N 428.513 5.399 30 20 IKED Cc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1C 303293122 MXWVCSRAGODXQR-SFHVURJKSA-N 436.606 5.614 30 20 IKED Cc1ccc(F)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1Br 426455917 BYNFJJVOGMMDTI-UHFFFAOYSA-N 439.284 5.600 30 20 IKED COC(=O)C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)c(F)c1 434211043 FAWKZYMEULFFGZ-ACJLOTCBSA-N 449.935 5.299 30 20 IKED COc1cc(CN[C@@H](c2cc(F)ccc2F)C(F)F)ccc1OCc1cccc(C#N)c1 434668667 BXRMBKIVCIDVJZ-QHCPKHFHSA-N 444.428 5.520 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC(OCC4CCCC4)CC3)c2)c1 435106292 ZZPOCCXITYHDEX-UHFFFAOYSA-N 446.551 5.014 30 20 IKED Cc1cc(Br)cc(C)c1NC(=O)CCCSCCCCC(C)(C)C#N 435887839 FFEWAICCCHVZBA-UHFFFAOYSA-N 425.436 6.238 30 20 IKED CC(C)CNC(=O)c1ccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1Cl 437906124 QPGSRMPORMLZRL-IFMALSPDSA-N 438.959 5.029 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1 438051278 GHLSFWRHUIKAPP-ZIAGYGMSSA-N 425.489 5.153 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 438134168 XWYXIEFZPQROIV-QZTJIDSGSA-N 441.413 5.059 30 20 IKED Cc1ncc(CN(C)C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)s1 438542183 SVCRMORGHUPIDC-UHFFFAOYSA-N 446.454 5.798 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC([C@@H]4CCCO4)CC3)cc2Cl)cc1 439226310 VUECAUXGNOLVQN-NRFANRHFSA-N 425.916 5.427 30 20 IKED C[C@@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 439599357 UOSZHUHHTISEEP-GOSISDBHSA-N 428.467 5.237 30 20 IKED CC[C@@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2cccc(C)c2C#N)c2cccs2)cc1 441553921 ITHACNFKYRCZKD-MWTRTKDXSA-N 431.561 5.286 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cc(C)nn1Cc1ccccn1)c1ccc(C(F)(F)F)cc1 442204867 CNKXKLRITPNHPO-HXUWFJFHSA-N 443.473 5.483 30 20 IKED Cc1cccc([C@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)c1 461726075 HVQPIXDOFGRTSE-BJKOFHAPSA-N 427.552 5.036 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F 463139487 HIYOYGIOBISSJN-UHFFFAOYSA-N 445.494 6.035 30 20 IKED Cc1nc(-c2cccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)c2)cs1 463479941 DFEAXSXYWNQKRM-UHFFFAOYSA-N 425.513 5.822 30 20 IKED CC[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1nc(C(F)(F)F)cs1 465201655 YPSDKDRZIMOEHR-AWEZNQCLSA-N 435.427 5.087 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3ccccc3C)no2)nnc1-c1ccc(OC)cc1 466619689 XNCGGXHGFOLKSE-INIZCTEOSA-N 433.537 5.351 30 20 IKED O=C(Nc1cc(Br)c(F)cc1F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 466652846 AFAJQJPVTDVHGI-UHFFFAOYSA-N 441.116 5.076 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 466756382 RRRUDYVALPDFAJ-UHFFFAOYSA-N 439.880 5.532 30 20 IKED N#C[C@@H]1N(C(=O)c2ccc(-c3ccc(Br)cc3)s2)CCC[C@@]12CCCCO2 468657710 CVSREZKNYHYYIL-FPOVZHCZSA-N 445.382 5.245 30 20 IKED CCCNc1ccc(C#N)cc1NC(=O)c1cc(Br)sc1Br 469063729 UPYQSSKLNXCXGP-UHFFFAOYSA-N 443.164 5.219 30 20 IKED CC(C)CO[C@@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 469697959 NFZHJDINXMECLK-HXUWFJFHSA-N 427.932 5.069 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)[C@H](OC)c2ccccc2Cl)cc1 480847019 RXZSKBMEKWQBJA-JTSKRJEESA-N 441.959 5.052 30 20 IKED CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 481621968 HGDODEPROFSPNY-INIZCTEOSA-N 446.482 5.117 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N[C@@H](CCCC#N)c3ccccc3)ccc21 487178375 UQDLRRFNVNUDRQ-SFHVURJKSA-N 428.458 5.801 30 20 IKED C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@@H]1CCN(Cc2ccccc2)C1 490274793 OXYVSGVNNUOXMP-NFBKMPQASA-N 441.600 5.350 30 20 IKED N#Cc1ccc(Br)c(CN[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c1 491595741 DASIJSCCWWKHPA-NRFANRHFSA-N 426.745 5.443 30 20 IKED CCN(C(=O)CCCCOc1cccc(C#N)c1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 497885379 TZZACXQMHUEFGG-MHZLTWQESA-N 445.538 5.588 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(Cn4nc(C)cc4C)c3)n2)cc1 501292992 YYKFWWXQXHEAEU-JOCHJYFZSA-N 426.545 5.470 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1Br 502665530 UCTDYRIXECVYCC-UHFFFAOYSA-N 442.126 5.571 30 20 IKED COCCn1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c2ccccc21 505643669 FNSPUVKINLGRKB-UHFFFAOYSA-N 441.487 5.213 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCc1nc2cc(Br)ccc2o1 505657385 GXMRYIDAYCJHER-UHFFFAOYSA-N 441.354 5.251 30 20 IKED C=CCN(Cc1cccs1)C(=O)N[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C 506173071 AGIANSKLPIKWID-MRXNPFEDSA-N 427.595 5.647 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NC(=O)Nc3ccc(C(C)(C)C#N)cc3)s2)cc1 506723325 FOYIHMMEVBPLCO-INIZCTEOSA-N 434.565 5.811 30 20 IKED CCCOc1ccc(-c2nc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cs2)cc1 507032500 XZVQAEZVGIOFPW-INIZCTEOSA-N 431.439 5.503 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCCCN2CCCC[C@H]2C)cc1 508244812 BAQHPGBGUOJCQW-LJQANCHMSA-N 436.556 5.135 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 509833814 HAULBCQNNWITDF-QGZVFWFLSA-N 431.989 5.169 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 510872511 QLVUOEKGKFUPLV-UHFFFAOYSA-N 440.956 5.632 30 20 IKED CN(Cc1ccccc1OC(F)(F)F)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 511567901 RIGKPTUXXZDBSZ-OAHLLOKOSA-N 438.343 5.559 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OCC(F)(F)C(F)F)nc3)n2)cc1 511760360 WWNDPFVLFACZEF-OAHLLOKOSA-N 449.429 5.283 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 512544779 JNVJJKTWWIDMME-HSZRJFAPSA-N 444.487 5.169 30 20 IKED Cc1cc(C)n(-c2ccc(-c3noc(-c4cccc(OCc5ccccc5C#N)c4)n3)cn2)n1 517625320 SICAGXJNSVLGKY-UHFFFAOYSA-N 448.486 5.052 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)CC1 517666929 DNUDAUCJSRBQME-LRMJVLKBSA-N 429.347 5.475 30 20 IKED C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(Br)cc1C(F)(F)F 518502069 JLYLBBRDSBZADW-KUHUBIRLSA-N 425.292 6.554 30 20 IKED COCCN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc2ccccc2s1 518903722 QXNGWZNMJOZIMV-UHFFFAOYSA-N 443.528 5.448 30 20 IKED N#Cc1c(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)sc2c1-c1ccccc1CC2 518995495 SBCBLFNBGHMXRR-UHFFFAOYSA-N 436.920 5.452 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N(Cc1ccco1)c1ccccc1C#N)O[C@H](C)C2 520765261 YSVDMSLUNGVVIN-FHZYATBESA-N 442.515 5.210 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 522398590 CYRBFPSLOAKVDV-QHCPKHFHSA-N 449.526 5.785 30 20 IKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(F)cc1 523061925 AHFNGHBPCSWZAJ-HSZRJFAPSA-N 445.494 5.332 30 20 IKED Cc1ccc(OC2CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CC2)cc1 523889012 BMUQYDZVXDICGB-UHFFFAOYSA-N 430.479 5.482 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl 524658463 TYUJZOVCLYIKJS-HNNXBMFYSA-N 444.000 6.219 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)NCc1cccc(C#N)c1 525506876 NDNADBLCKDKFRR-UHFFFAOYSA-N 441.510 5.925 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)NCC#Cc3ccc(C(F)(F)F)cc3)c(C)c2c1 531215674 WSZDNMXWJRWEKY-UHFFFAOYSA-N 427.422 5.063 30 20 IKED C[C@@H](N[C@@H]1CCCc2nc(-c3ccccc3Br)sc21)c1ccc(C#N)cc1 531695847 NBHBJFONBNBKAU-AUUYWEPGSA-N 438.394 6.172 30 20 IKED COc1ccccc1[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccn1 535536592 CIUUPTVKVBECES-UZUQRXQVSA-N 432.549 5.396 30 20 IKED Cc1sc(CNC2CCN(Cc3ccc(C#N)cc3)CC2)nc1-c1ccc(Cl)cc1 537306725 MQBPHIPFPZZLMA-UHFFFAOYSA-N 437.012 5.398 30 20 IKED CCN1C(=O)CCc2cc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)ccc21 544766712 ZBZHZIDROGVIGB-UHFFFAOYSA-N 425.488 5.096 30 20 IKED Cc1ccccc1-c1nn(-c2ccccc2)cc1CN1CCC(C#N)(c2ccccn2)CC1 548859107 CVQPIWYRNMSVCR-UHFFFAOYSA-N 433.559 5.300 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](c2cccs2)C1 555265626 NQCQSLAAYBRQPU-QFBILLFUSA-N 444.988 5.287 30 20 IKED C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(c2ncccc2Cl)CC1 558983612 YYAZFMDIEVJILQ-UHFFFAOYSA-N 446.986 5.290 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1sc(-c2ccco2)nc1-c1ccccc1 561225150 BVSZMNWSBKFAQP-UHFFFAOYSA-N 434.517 5.374 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NC[C@H]3CCCO[C@H]3c3ccccc3)cc2)ccn1 563967994 KBJXSPHGHPTUQD-DVECYGJZSA-N 428.492 5.035 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(O[C@@H]3CCOC3)cc2)cc1Cl 564630006 DUQDJJSUNJKQSC-GGAORHGYSA-N 432.907 5.415 30 20 IKED COCc1cc(CNCc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)ccc1F 594053251 FJTLRKPXNVVBEN-KRWDZBQOSA-N 425.344 5.134 30 20 IKED CC(C)CN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(C#N)cc1 603529006 MACPCNQTDTZVAG-UHFFFAOYSA-N 426.929 5.043 30 20 IKED CC(C)(C)Oc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 608792414 CYNULTVZQWGPSM-UHFFFAOYSA-N 445.538 5.787 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3csc(-c4ccccc4Cl)n3)s2)cc1 608933888 LSRMSKSWYUBQGO-UHFFFAOYSA-N 436.949 5.635 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCO[C@@H](c3ccccc3F)C2)cc1 608995572 CIOQZAKQAMHIJM-XMMPIXPASA-N 447.466 5.104 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nccn1-c1cccc(Cl)c1 609370573 FLXXPYXPSDYNLW-HNNXBMFYSA-N 442.997 5.651 30 20 IKED Cc1nc(-c2cccs2)ccc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609378651 VRUZSMGZTQQHOZ-UHFFFAOYSA-N 447.507 6.395 30 20 IKED COc1ccc(OC)c(CN(C(=O)Nc2ccccc2S[C@H](C)CC#N)C2CC2)c1 609435226 ZHLGNDQVFPDVDZ-MRXNPFEDSA-N 425.554 5.295 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(CCc1ccccc1)Cc1ccncc1 609436579 AXDJIWOYIWMTNA-FQEVSTJZSA-N 430.577 5.753 30 20 IKED N#Cc1cccc(NC(=O)N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c1 609443260 SSZDUPRTQNURHP-XMMPIXPASA-N 445.567 5.279 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCCC[C@H]2c2noc(C3CC3)n2)cc1Cl 611186062 BNTTVNUDVUGANZ-IBGZPJMESA-N 448.910 5.632 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(OCc2ccc(F)cc2)CC1 611497537 CBCJVQTZVYNGJG-UHFFFAOYSA-N 430.479 5.311 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3SCC(=O)NC(C)C)n2)cc1 613314678 SEHQOCRPFUOVBK-LJQANCHMSA-N 449.601 5.225 30 20 IKED O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618556474 ZPAZAGGSFZRBFG-SOLBZPMBSA-N 448.382 5.687 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(=O)Nc1cccc(Sc2ccccc2)c1 673121412 XMFUNIBEKFYNHS-UHFFFAOYSA-N 448.592 5.159 30 20 IKED N#C[C@@H](C(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)c1nc2cc(F)ccc2s1 680168136 MBWQHUNTCDLJBG-ZDUSSCGKSA-N 431.370 5.599 30 20 IKED C=CCn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N(C)[C@H](C)c1nc2ccccc2s1 685545534 TWIFBZGQDOOSRA-GJYPPUQNSA-N 425.602 5.190 30 20 IKED COC(=O)Nc1cc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1F 727597327 XXLHQWIFEJGXBS-RKDXNWHRSA-N 445.335 5.035 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)OCc3nnc(-c4ccc(Cl)cc4)o3)c2)cc1 728474636 CJIYMNPNMJRPGX-UHFFFAOYSA-N 431.835 5.411 30 20 IKED COc1ccc(-c2nnc(SCc3ccc(OCC#N)cc3)n2-c2ccccc2)cc1 729241162 OTPIXGCDHGSOFL-UHFFFAOYSA-N 428.517 5.138 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)cc1 729316930 PCWPKZUOAWZDEG-QHCPKHFHSA-N 427.891 5.832 30 20 IKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1c(F)cccc1-n1cccn1 730195425 VWKFZTGXUUBBQJ-UHFFFAOYSA-N 447.310 5.067 30 20 IKED N#C[C@H](C(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1nc2cc(F)ccc2s1 730418484 VUZYDRFYHHVNMK-MRXNPFEDSA-N 425.485 5.041 30 20 IKED C#CCOc1cccc(NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)c1 731010964 CORHGXAIARIDEN-UHFFFAOYSA-N 426.472 5.288 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cccc2c3c([nH]c12)CCCC3 731071536 RNMMMRCZMFJMJP-MRXNPFEDSA-N 447.560 5.094 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 731288586 XKZHKPNWZQGJFO-SLFFLAALSA-N 432.907 5.261 30 20 IKED CC(C)[C@@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)Nc1ccccc1Cl 732401135 CXPFLVAMFXXLRB-JOCHJYFZSA-N 449.894 5.219 30 20 IKED Cc1cc(C)cc(OCc2nnc(S)n2N=Cc2ccc(Oc3cccnc3)c(C)c2)c1 732712563 LKXFSWBPGBYOFN-UHFFFAOYSA-N 445.548 5.141 30 20 IKED C#CCN(C(=S)Nc1ccc(C(C)C)cc1)[C@@H]1CCOc2ccc(Br)cc21 733086538 KPARLWROIVJYGZ-HXUWFJFHSA-N 443.410 5.728 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(SCC(F)F)cc2)cc(Br)c1O 741843347 PGBWTBBIVBJECP-UQCOIBPSSA-N 429.282 5.417 30 20 IKED N#CCOc1cccc(NC(=O)N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)c1 743101969 BXZUQOHZFFYFHL-UHFFFAOYSA-N 434.323 5.219 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cccc(-c2cscn2)c1 744026597 YYVZMXQTHWNTBY-MRXNPFEDSA-N 429.473 5.086 30 20 IKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H](Sc1ccccc1Cl)c1ccccc1 744975131 HWVYMSOPHQIKGK-YBVWCTEOSA-N 444.984 5.160 30 20 IKED C=CC[C@@H](NC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)Cc1cccs1)c1ccncc1 745827851 OHJFZTRSINKHIZ-FDDCHVKYSA-N 440.012 6.257 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN(Cc2cc(F)ccc2F)C2CCCC2)c1=S 751606766 ZHLNURPQLWGNJL-UHFFFAOYSA-N 441.551 5.343 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2ccccc2SCc2cccs2)cc1C#N 752203591 GZZOIIZTANPHNP-UHFFFAOYSA-N 437.546 5.733 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H](O)c1c(F)cccc1Cl 752636952 NTLSUUFQPKSNSB-FCORRRHLSA-N 437.902 5.378 30 20 IKED C=CC[C@H](NC(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1)c1ccncc1 756041977 YSPJNENNBRPCHM-KUHUBIRLSA-N 426.973 5.845 30 20 IKED Cc1nc(COc2ccc(NCc3cccc(OCc4ccccc4C#N)c3)cc2)no1 770567907 VNDPSBTWIWIEAI-UHFFFAOYSA-N 426.476 5.020 30 20 IKED CCN(CCC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1)CC1CC1 771443773 PYEBWTKBPDNBQZ-HHHXNRCGSA-N 444.623 5.708 30 20 IKED CC[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)CC[C@H]1NC(=O)OC(C)(C)C 778395378 NGOPVXMWWLFRSM-WIYYLYMNSA-N 449.551 5.116 30 20 IKED Cc1cc(CSc2ccccc2C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)on1 782523217 AKHADWSIUVCIPW-UHFFFAOYSA-N 449.923 5.238 30 20 IKED Cc1cc2c(Br)ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)c2o1 785880106 IVGFRLOUGLQIIJ-ZDUSSCGKSA-N 449.663 5.257 30 20 IKED C=CCn1c(SCC(=O)Oc2ccc3cccnc3c2)nnc1-c1ccc(Cl)cc1 791860852 CQSQOXJXMLRJHO-UHFFFAOYSA-N 436.924 5.030 30 20 IKED C=C(C)CN(Cc1ccccc1)Cn1nc(C2CC2)n(-c2cccc(NC(C)=O)c2)c1=S 794650714 LHTFBFOEAZGXLL-UHFFFAOYSA-N 447.608 5.275 30 20 IKED Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)C[C@@H](CC#N)c2ccccc2)c2ccccc2)c1 795982675 RPEBJIISUYYTBJ-BVAGGSTKSA-N 426.516 5.614 30 20 IKED CN(C)C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1 801663075 GNOFCZVPAOATFF-DNQXCXABSA-N 432.955 5.420 30 20 IKED N#CCCCn1cc(C(=O)OCc2nc3ccc(Br)cc3o2)c2ccccc21 803094607 RADHSEQYNLZCRE-UHFFFAOYSA-N 438.281 5.206 30 20 IKED O=C(C[C@H]1SC(=Nc2ccsc2)N(CCC2(F)CCC2)C1=O)Nc1ccccc1F 807940094 UDPMVXOROCLUNU-QGZVFWFLSA-N 449.548 5.130 30 20 IKED N#Cc1ccc(NC(=O)CSC2=NC(=O)/C(=C\c3csc4ccccc34)S2)cc1 814771881 HVFNFULWNXGLKV-GIJQJNRQSA-N 435.555 5.115 30 20 IKED COc1cc(-c2cc(C(=O)Nc3sccc3C#N)c3ccccc3n2)cc(OC)c1OC 908170051 IAFCHZYORDAANV-UHFFFAOYSA-N 445.500 5.113 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)c1csc(COc2ccc(F)cc2)n1 914514914 AUWNSEPDWKNUEG-UHFFFAOYSA-N 433.464 5.173 30 20 IKED CC(C)(C)OC(=O)N1CCC(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1 915101028 AWHQNUKJXORGGP-KRWDZBQOSA-N 445.972 5.287 30 20 IKED Cc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cs2)o1 915101233 FAOYYWBLDLJUSA-MRXNPFEDSA-N 439.949 5.907 30 20 IKED N#C[C@@H](C(=O)COc1ccc(Cl)c2ccccc12)c1nc2ccccc2n1C(F)F 915107372 RQNOABBVDAYFLB-HNNXBMFYSA-N 425.822 5.493 30 20 IKED COc1ccc(-c2cc(NC(=S)Nc3ccccc3C#N)ccc2OC(F)F)cc1 915997419 JKULYZZGIASOHL-UHFFFAOYSA-N 425.460 5.644 30 20 IKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(C2CC2)C1=O)Nc1cccc2ccccc12 916209636 PHRJVTXCUBZYFC-OAQYLSRUSA-N 433.508 5.102 30 20 IKED COc1cc(C=NNc2ccc(F)cc2F)ccc1OCC(=O)Nc1ccccc1Cl 916247997 CWHOMYIXSNYYBT-UHFFFAOYSA-N 445.853 5.090 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCOc2ccc(C(F)(F)F)cc2)cc1 916650736 KLWIYMMDNRYOCV-JOCHJYFZSA-N 439.437 5.561 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(-c2ccc(F)cc2)o1 916886077 CYVJPIWNEWQNJO-INIZCTEOSA-N 430.407 5.362 30 20 IKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)C(=O)Nc1cccc2ccccc12 916915271 BCQIQFJYMBKVPC-LJQANCHMSA-N 445.425 5.053 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 916928228 WPTFYDOHKYHEFW-INIZCTEOSA-N 426.303 5.315 30 20 IKED COc1cccc(COCC(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 917032924 XUXFTYIGIYEYCW-YVXFQLMNSA-N 436.577 5.013 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2nc3ccccc3s2)cs1 917560157 SAPMDXOGQKNGQI-DHZHZOJOSA-N 439.949 5.987 30 20 IKED COc1cc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)ccc1O 917563680 SBLCYZWYCWUNGO-POHAHGRESA-N 428.897 5.091 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3oc4ccccc4c3C)CCC2)cc1 1786679025 VABINKLOULKLLK-UHFFFAOYSA-N 434.561 5.408 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cncc(C(F)(F)F)c3)cc2)CCC1 1789880894 PVZLGARMSACYLK-UHFFFAOYSA-N 443.469 5.042 30 20 IKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ccccc45)CCC3)cc2)c1 1790144904 UAUUFHKDKOKJIT-UHFFFAOYSA-N 434.499 5.101 30 20 IKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cc(F)ccc4F)cc3)CCC2)c1 1790221018 OTYCWVRBJZXDGA-UHFFFAOYSA-N 449.432 5.037 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Br)c(C)c1 1799783761 DGYAZKLYHVPXOW-REPLKXPHSA-N 447.417 5.002 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)C2)CC1 1805296077 OBANPRLRRSOGIB-DHIUTWEWSA-N 440.603 5.153 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2c(C)cc(C)cc2C)[C@@H]1c1cccnc1 1810177875 IGEJIGJWWWXNKC-DGWZTRNLSA-N 445.607 5.095 30 20 IKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)CCCCCC(C)(C)C)[C@H]2c2cccnc2)C1 1812804983 YKAWFPDFUXQCCB-XUZZJYLKSA-N 425.617 5.050 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cccc(F)c3s2)n[nH]1 1818596258 AERBXNBJDXSRKX-KSSFIOAISA-N 440.544 5.282 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)[nH]n1 1819556177 XKDIBLIMGPVZJZ-JOCHJYFZSA-N 447.583 5.118 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc3ccoc13)CC2 1820100892 QFUXBQCFCKRDIY-MRXNPFEDSA-N 437.565 5.108 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(F)cc2F)CC1 1830511912 QMRWHGGRKVTIAN-HSZRJFAPSA-N 448.529 5.106 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cccc(F)c3s2)CC1 1831369623 GJPPUZQTJIVEAS-UWJYYQICSA-N 442.600 5.486 30 20 IKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)s1 1832633444 CKGHQGAPOPKXHE-WZONZLPQSA-N 449.620 5.231 30 20 IKED C=CCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1ccncc1 9145532 PLVMJJMRJGBELK-UHFFFAOYSA-N 439.629 5.112 30 20 IKED CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2cccc(C#N)c2)NC(=S)N1c1ccccc1 11094743 QJDCDAJEWCLBJB-DEOSSOPVSA-N 438.556 5.215 30 20 IKED C=CCn1c(SCC(=O)c2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1OC 16659116 UJHHFNATLJZCPT-UHFFFAOYSA-N 434.348 5.422 30 20 IKED C=CCn1c(SCc2ccccc2Br)nnc1[C@H]1COc2ccccc2O1 21242545 OGWZKQGKBGIZAT-GOSISDBHSA-N 444.354 5.031 30 20 IKED O=C(/C(=C(/S)Nc1cccc(C(F)(F)F)c1)[n+]1ccccc1)c1cc(F)ccc1F 22693563 QVPNTCBCNKAYTA-UHFFFAOYSA-O 437.413 5.322 30 20 IKED CSc1nc(C2CC2)cc(C(=O)O[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)c1C#N 28491177 SNIYYYXDIZSBIL-CYBMUJFWSA-N 443.956 5.007 30 20 IKED Cc1nc(-c2ccccc2)sc1/C(O)=N/c1nc(-c2ccccc2Br)n[nH]1 28903122 OUXRXQJCGIKOCL-UHFFFAOYSA-N 440.326 5.302 30 20 IKED C[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)N1CCc2ccccc21 33055629 OULLXYUQGSMQCN-IBGZPJMESA-N 427.573 5.032 30 20 IKED C=CCn1c(SC[C@@H](C#N)CCC#N)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 61725701 RRHFMJNMAWGTFV-OAHLLOKOSA-N 438.553 5.294 30 20 IKED N#Cc1c(NC(=O)CCN2CCC[C@@H]2c2ccc(Br)cc2)sc2c1CCC2 63549415 IPDDLIOVTNRFAY-GOSISDBHSA-N 444.398 5.037 30 20 IKED Cc1ccc(-c2ccsc2C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 107807245 LOLHURZJRWJEIW-UHFFFAOYSA-N 425.513 6.343 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)c1 195652812 UTQBLVOHHGSTRX-VWLOTQADSA-N 445.478 5.252 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C\C(=O)c1cccc(N2CCOC2=O)c1 207667560 VINCNVXDFUHXDN-HJWRWDBZSA-N 442.302 5.340 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 255951234 FHSUFBUIRJDVPR-QFIPXVFZSA-N 447.629 5.479 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)cc12 301757866 CGCXEYHUOXEJNG-KRWDZBQOSA-N 445.935 5.426 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)c1 303682913 SKRRTZMCLOBEOO-UHFFFAOYSA-N 431.879 5.605 30 20 IKED N#CCCn1ncc(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)c1-c1ccccc1 428643506 OYDSEHTWRIJCDH-UHFFFAOYSA-N 441.535 5.235 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccccc2SCc2cn3ccccc3n2)s1 430583145 MFDCEZNLWLCQAG-GOSISDBHSA-N 446.601 5.871 30 20 IKED Cc1nn(-c2ccc(Br)cc2)c(NC(=O)c2cccc(SCC#N)c2)c1C 430606287 WBQDHBSMSGHJCG-UHFFFAOYSA-N 441.354 5.120 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1ncccc1C(F)(F)F 432260718 YPNXIMXCUZBMRI-ZDUSSCGKSA-N 425.501 5.224 30 20 IKED C=CCN(CCC#N)C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C 432762952 LYVKQGMRLUIVRP-UHFFFAOYSA-N 430.430 5.200 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)Cc2coc(-c3ccc(F)cc3)n2)cc1F 437477636 SUXGFMMSEHRGPZ-UHFFFAOYSA-N 431.398 5.465 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F 438373441 PTIFLHMQIFUBSZ-UHFFFAOYSA-N 429.414 5.598 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]([C@@H]4CCOC4)C3)cc2Cl)cc1 439307411 PTFVSELCDNPAAV-QZTJIDSGSA-N 425.916 5.284 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 441095981 RZLXJOMSQFJQHP-HUUCEWRRSA-N 443.560 5.006 30 20 IKED C=CCC[C@@H](NC(=O)C1CCN(c2nc(C)cs2)CC1)c1ccc(C(F)(F)F)cc1 441559171 PKYAURZDGFWEBD-LJQANCHMSA-N 437.531 5.510 30 20 IKED N#Cc1cc(NC(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)ccc1OC(F)(F)F 442052652 GUMNOTOVCXDNKE-LBPRGKRZSA-N 448.376 5.149 30 20 IKED C=C[C@H](CC(=O)NC[C@@]1(C)CCN(C(=O)C[C@H](C=C)c2ccccc2)C1)c1ccccc1 442836013 ZKKUYYHRIVTDJT-AWVRMFGXSA-N 430.592 5.061 30 20 IKED CSc1ccc(-c2nsc(NC(=O)c3cn(CCCC#N)c4ccccc34)n2)cc1 444796700 WRAODEZHYRIVAT-UHFFFAOYSA-N 433.562 5.438 30 20 IKED Cc1ccc(NC(=O)Cc2noc(-c3ccc(Sc4ccccc4C#N)cc3)n2)c(C)c1 445360265 ZEUCNESBCPKGJV-UHFFFAOYSA-N 440.528 5.558 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(-c3cccc(Cl)c3F)no2)CC1 460512981 BJKNDXSVXGPUPO-UHFFFAOYSA-N 439.834 5.033 30 20 IKED CN(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccc(C#N)cc1 461521714 JDGPRIZJAUEBJL-UHFFFAOYSA-N 426.907 5.270 30 20 IKED Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)N[C@H](C#N)c2ccccc2Cl)cs1 464403834 JHVYYLNEVQVPGZ-GOSISDBHSA-N 427.932 5.570 30 20 IKED Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)N[C@@H](C#N)c2ccccc2Cl)cs1 464403835 JHVYYLNEVQVPGZ-SFHVURJKSA-N 427.932 5.570 30 20 IKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 464426167 MLLFPELEYNQRNA-LLVKDONJSA-N 440.208 5.861 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)c12 464465221 IKQKKZBIBBQOST-MRXNPFEDSA-N 443.473 5.522 30 20 IKED Cc1cc2c(Br)ccc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c2o1 468024961 DRLRMTFKHFTDJF-UHFFFAOYSA-N 439.309 5.059 30 20 IKED CC[C@@H](CN(C)Cc1nnc(-c2cccc(C#N)c2)o1)Oc1ccc(Cl)c(Cl)c1 469744597 LLKYAXZUIVRBOV-INIZCTEOSA-N 431.323 5.204 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)ccc21 469950909 SAWYYZKDBAPHJH-MSOLQXFVSA-N 442.346 5.319 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CNc2cccc(NC(=O)c3ccccc3)c2C)c1C 470548014 QSLCTLPERAVSAP-UHFFFAOYSA-N 440.547 5.223 30 20 IKED CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470566799 YXXXGZNQFFJABR-GJZUVCINSA-N 444.579 5.351 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc(F)ccc3-c3ccoc3)s2)cc1 470718523 UATVYGYHIQLWRF-UHFFFAOYSA-N 436.493 5.353 30 20 IKED COc1cccc(C(=O)c2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)c1 473583255 PFAJFWHEBLWHRE-QGZVFWFLSA-N 430.529 5.430 30 20 IKED Cc1nn(-c2ccc(Br)cc2)cc1CNc1cccc(OCCCC#N)c1 478252498 PEJYAVBFHYVWCK-UHFFFAOYSA-N 425.330 5.238 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc2ncsc2c1 479494751 CXLSGQLVNFUXMP-UHFFFAOYSA-N 443.497 5.122 30 20 IKED C=C(C)[C@@H](NC(=O)Nc1cc(C(=O)NCC(F)(F)F)ccc1C)c1ccc(F)c(F)c1 480339821 VJMNNAQQALQJPM-GOSISDBHSA-N 441.400 5.004 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 480658971 LQFITYDUDXCBCH-KOSHJBKYSA-N 429.520 6.044 30 20 IKED CC(C)CN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H]1CCCc2cccnc21 481342963 SASFOQMUKVJRAH-UGKGYDQZSA-N 436.625 5.450 30 20 IKED CCOCCN(C)C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482349505 TUJPTGHEYNEEBJ-GFCCVEGCSA-N 440.306 5.006 30 20 IKED C=CCN(CC1CCCCC1)C(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 482829746 RXAARBGQRJLBPK-UHFFFAOYSA-N 426.630 5.119 30 20 IKED COc1ccc([C@@H](CCO)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 482986842 DCORSBFBJZUIGC-ISKFKSNPSA-N 449.938 5.249 30 20 IKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)c3cnc4ccccc4n3)c3ccccc3n2)cc1 483208665 ZCMQBDZFQVWDNY-NRFANRHFSA-N 430.467 5.344 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2scc(C)c2Br)cc1 485788671 CQKHQKIHEQYEMV-UHFFFAOYSA-N 443.322 5.744 30 20 IKED C=CCSc1ccccc1NC(=O)CNc1ccc(C(=O)NCC(C)C)c(Cl)c1 486168241 QLNDVYGRTFPYND-UHFFFAOYSA-N 431.989 5.055 30 20 IKED CC(C)(C#N)c1ccccc1CN1CCC(C(=O)Nc2ccccc2Br)CC1 487424854 FOPPHKKYUKJXFS-UHFFFAOYSA-N 440.385 5.101 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 493106209 TVPCYMHAEHRHQH-UHFFFAOYSA-N 436.924 5.241 30 20 IKED C=CCN(C(=O)CCCOc1ccc2c(c1)CCC(=O)N2)c1nc(-c2ccccc2)cs1 498622424 HQURMCDMLJVCTH-UHFFFAOYSA-N 447.560 5.073 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(Sc4ccccn4)cc3)s2)cc1 499121604 MBLICGIBKAXPKC-UHFFFAOYSA-N 428.542 5.404 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2cccc(NC(=O)CCCc3cccs3)c2)nc2ccccc21 502700435 BQACCNDHMNUVJM-FQEVSTJZSA-N 442.544 5.086 30 20 IKED N#Cc1cn(Cc2csc(Cc3ccc(Cl)cc3)n2)c2ccc(Cl)cc2c1=O 502816243 ALUMGISDONQUJI-UHFFFAOYSA-N 426.328 5.276 30 20 IKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c12 504014926 YJIISISWOVXOGQ-UHFFFAOYSA-N 438.487 5.407 30 20 IKED N#C[C@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccc(Cl)c(Cl)c1 505928614 RBNPVMIOFNFZRB-KRWDZBQOSA-N 430.316 5.302 30 20 IKED CC(C)(C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1cc(F)cc(C#N)c1 505976694 NPXPEHZVXZBBFK-HSZRJFAPSA-N 425.507 5.405 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1 507823296 FMXNISZRRIYQHM-MRXNPFEDSA-N 435.911 5.760 30 20 IKED N#Cc1ccccc1N1CCN(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)CC1 508227517 UEBGMYDAGRACMR-UHFFFAOYSA-N 439.544 5.189 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)NCCc3cccc4ccccc34)s2)cc1 510230828 MIXAPMGHZRPHMJ-UHFFFAOYSA-N 445.573 5.219 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 510274139 VRWKVCIAYDQGQB-QFIPXVFZSA-N 445.906 5.304 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H]3CCc4cc(Cl)ccc43)c2)c1 510644068 IIQYGGBLQIQTBX-JOCHJYFZSA-N 430.895 5.273 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C2CC2)cc1 511467808 ZQGRZYIULDBGTJ-DEOSSOPVSA-N 440.503 5.092 30 20 IKED CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 511611861 SFQSQDZUWNILFY-SJLPKXTDSA-N 439.943 5.227 30 20 IKED CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1 515635515 GEGOWYDRLWTSJW-UHFFFAOYSA-N 447.922 5.181 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3ccc(COc4ccc(F)cc4)o3)cc2)ccn1 516822508 UXTWAXPIGMOOKM-UHFFFAOYSA-N 429.407 5.309 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC(COc4ccccc4)CC3)cc2)cc1 517683420 CWIOBPJMWYQIPX-UHFFFAOYSA-N 426.516 5.476 30 20 IKED CCCN(Cc1ccc(F)cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 521859708 OVMYUDTYSKEVEG-UHFFFAOYSA-N 431.511 5.915 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N(c3cccc([N+](=O)[O-])c3)C3CCCC3)o2)cc1 522874902 LJOGBNMLNMUXPM-UHFFFAOYSA-N 431.448 5.228 30 20 IKED N#Cc1ccc(SCC(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)cc1 522900389 XEPYNMAGNWXHRJ-UHFFFAOYSA-N 434.361 5.249 30 20 IKED CC(C)(C)OCc1cccc(CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1 523197873 DCLOBTBRLYEMPD-UHFFFAOYSA-N 435.446 5.136 30 20 IKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F 524433345 WKDCNHDCSVQADM-JTQLQIEISA-N 436.327 5.021 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cccc4cccnc34)cc2Cl)c1 524441878 FNYHAVAJQFWYAD-UHFFFAOYSA-N 442.906 5.661 30 20 IKED CC(C)c1nc2cc(NC(=O)C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)ccc2o1 527128539 RETZVIXCQGGCEG-UHFFFAOYSA-N 440.459 5.192 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)cc1 533794682 QWQHKTABZOLKFP-UHFFFAOYSA-N 442.906 5.423 30 20 IKED CC[C@@H](C)n1ncc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1C1CC1 534965369 RSNCGUJNJUCUPF-GOSISDBHSA-N 443.551 6.021 30 20 IKED COc1cc(C)c([C@H](C)NCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)cc1OC 540389213 DTQXWYRGVREBLZ-IBGZPJMESA-N 446.547 5.322 30 20 IKED Fc1ccc([C@H]2C[C@@H]2c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)no2)cc1 540512124 BZKGSFMPGHONKP-OLZOCXBDSA-N 447.310 5.502 30 20 IKED C[C@H](NC(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1)c1ccc(-c2cccc(C#N)c2)cc1 542080654 JGLPREPPLYJAOM-AFWDCEBSSA-N 425.532 5.363 30 20 IKED C[C@H](NC(=O)Cc1csc(NC(=O)C(C)(C)C)n1)c1ccc(-c2cccc(C#N)c2)cc1 543894040 LOMQQPHAZNSPRS-INIZCTEOSA-N 446.576 5.086 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3cccc(C(F)F)c3Cl)CC2)c1 544632247 KPPOADQXCRDUTK-UHFFFAOYSA-N 432.858 5.032 30 20 IKED C=CCN(C(=O)c1scnc1COC)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 551457708 KVXLWSBVUDTPEG-UHFFFAOYSA-N 447.585 5.913 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)CC2)c(F)c1 557122154 SMGKLKOMDHDFSM-RTBURBONSA-N 433.310 5.178 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2c(F)cccc2N2CCCC2)cc1 557337843 ZDUVUYZSWSHUJY-UHFFFAOYSA-N 445.563 5.520 30 20 IKED Cc1cccc(O[C@H](C)c2nnc(N3CCC(CC#N)CC3)n2Cc2ccccc2)c1C 558927972 IOYKHKUFIOGJDT-OAQYLSRUSA-N 429.568 5.213 30 20 IKED N#CC1(NC(=O)c2oc3ccccc3c2CSc2ccccc2Cl)CCOCC1 565730571 PHLHHRKFKIQRPJ-UHFFFAOYSA-N 426.925 5.181 30 20 IKED CN(Cc1ccccc1OC(F)(F)F)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 573966244 PGFNPCUJWPJCTJ-UHFFFAOYSA-N 442.397 5.308 30 20 IKED CC(C)Oc1ccc(NC(=O)N(C)CCOCc2ccc(C#N)cc2)c(C(F)(F)F)c1 581421583 UBIBMWJVJDVLDH-UHFFFAOYSA-N 435.446 5.045 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)C3(c4ccc(Br)cc4)CC3)cc2)ccn1 589541610 LKDHMOMUFORRND-UHFFFAOYSA-N 434.293 5.178 30 20 IKED CC(C)N(Cc1ccccc1F)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 590979383 WBQYZZBQBYFFJD-KBPBESRZSA-N 428.392 5.655 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 603532948 IBNJAVJIHCWDNG-QGZVFWFLSA-N 449.507 5.628 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCc1cnn(-c2ccccc2)c1 603533016 LUBOXFMQUJMAGR-UHFFFAOYSA-N 438.506 5.358 30 20 IKED Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603673417 UIFZTKVRZSDRPS-DEOSSOPVSA-N 448.998 6.036 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2nnc(-c3ccsc3)o2)cc1Cl 603766062 LUYKXVSHWOLPAF-IBGZPJMESA-N 448.935 5.678 30 20 IKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604522883 PNBOJPIRMFTYOK-OFVILXPXSA-N 442.519 5.377 30 20 IKED O=C(Nc1cc(F)ccc1F)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 606157661 SPJFXUHBEYSVBX-UHFFFAOYSA-N 429.263 5.099 30 20 IKED COc1cccc2c1OCC[C@H]2NC(=O)c1ccccc1SCc1ccc(C#N)cc1 608778177 DNEDFTFQGOZDTN-OAQYLSRUSA-N 430.529 5.113 30 20 IKED CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)CNc2ccc(C#N)cc2)cc1 608876498 OJXKYFBPCZPTNJ-UHFFFAOYSA-N 426.520 5.159 30 20 IKED CCCCN1Cc2cccc(N[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)c2C1 608981266 NCQFLVQHNNMGEQ-KRWDZBQOSA-N 436.625 5.443 30 20 IKED N#Cc1ccc(CSCC(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cc1 609187908 YUVHIXXJXSILFU-IBGZPJMESA-N 437.565 5.248 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 609376665 HNRDPQGJXSXEJF-AWEZNQCLSA-N 441.553 5.674 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)COc1ccccc1C(F)(F)F 609381641 CHPSHIUAESUMQV-UHFFFAOYSA-N 448.388 5.747 30 20 IKED CCN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)Cc1cccc(Br)c1 609385239 IJNNMCVDOKTIMO-INIZCTEOSA-N 446.414 5.161 30 20 IKED CCCc1nc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)nn1-c1ccccc1Cl 609427787 LKYMEDJMMPFAAN-HNNXBMFYSA-N 439.972 5.520 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@@H](c4nc5ccccc5o4)C3)cc2)cc1 609515605 MWQFLHLIXAQTHC-OAQYLSRUSA-N 437.499 5.706 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)c1 609723282 ZYIJXPLENIZWIC-TZIWHRDSSA-N 442.968 5.131 30 20 IKED Cc1ccc(Nc2cccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)c2)nn1 609874588 QCLZQIKMTCQXOU-UHFFFAOYSA-N 435.487 5.753 30 20 IKED COc1ccccc1[C@@H]1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 610001334 WRMYVLVKMZNZKS-OAQYLSRUSA-N 428.557 5.489 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCc2cccc(F)c2[C@H]1C 610018681 YHYDOKMOBVCTQQ-GOSISDBHSA-N 429.495 5.736 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)c1C 610053780 WKBRGBBOQWXXJM-CYBMUJFWSA-N 427.335 5.485 30 20 IKED Cc1cccc(NC2CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CC2)c1 610159394 YTTGRFPLGOYJTR-UHFFFAOYSA-N 429.495 5.515 30 20 IKED C[C@@H](NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1cccc(C#N)c1 610356416 REZLMOXGMKWONZ-GYCJOSAFSA-N 447.922 5.133 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 614999776 HHAQZBLTXWZKCF-UHFFFAOYSA-N 430.291 5.125 30 20 IKED C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccccc1OC(F)F 618552097 CAGVMFCTKQJULE-DCAQKATOSA-N 434.327 5.121 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CCCC)C2CC2)c1 642032622 YORIZYSTOKIEQU-UHFFFAOYSA-N 447.000 5.126 30 20 IKED C[C@@H](c1ccc(Cl)cc1Cl)N1C(=O)/C(=C\c2ccc(OCC#N)cc2)SC1=S 726626456 CKNBFDCDCUEYHG-NNLQFVHNSA-N 449.384 5.858 30 20 IKED Cc1cc(-c2noc([C@H](C)Nc3ccc(OCc4cccc(C#N)c4)cc3)n2)ccc1F 728062782 SWFIXNSXGVCVPQ-KRWDZBQOSA-N 428.467 5.808 30 20 IKED Cc1ccc(-c2c(C)sc3nc(/C(Cl)=C\c4cccc(OCC#N)c4)nc(O)c23)cc1 730151919 UFCVITFXHPOJFA-CPNJWEJPSA-N 447.947 6.320 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 731400964 ZIDCKWQFBMFYGA-LJQANCHMSA-N 448.592 5.974 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(N4CCCCC4)c(Cl)c3)cc2)nc1 731977309 PILUSKYNBWGHBN-UHFFFAOYSA-N 432.911 5.642 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2c(C)cc(Br)cc2C)ccc1OC 733621987 JAOIOKYJGXCJRQ-QGZVFWFLSA-N 446.345 5.077 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cccc(Oc3ccccc3)c2)ccc1OC 733628149 MADDRXMPGINZMI-HXUWFJFHSA-N 431.492 5.490 30 20 IKED CC(C)[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)NC(=O)OC(C)(C)C 734644737 UHFUAHMPNKVFCR-FCHUYYIVSA-N 436.556 5.013 30 20 IKED N#Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1C(F)(F)F 743216345 LRRIAGUBGLOKFX-QGZVFWFLSA-N 427.348 5.965 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2cc(C)c(C)cc2C)cs1)c1ccc(F)cc1F 745998835 PHIREIGHOXHIIA-VURMDHGXSA-N 426.488 5.927 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2c(C)nn(C(C)C)c2C)cs1 746346980 VZVFMGYOWIGXBF-FLIBITNWSA-N 426.517 5.257 30 20 IKED C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 747107773 BJRSMABNCDQZCA-JOYOIKCWSA-N 430.118 5.751 30 20 IKED CCc1cccc(N2C(=O)/C(=C\c3ccc(OC)c(OCCCC#N)c3)SC2=S)c1 747472832 FKRKFVJPDFVLML-RCCKNPSSSA-N 438.574 5.346 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2ccccc2Cl)n1)c1nc(-c2c(F)cccc2F)cs1 748007500 WUSABBDHXRWQMQ-GFCCVEGCSA-N 440.862 5.417 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCCCC[C@@H]3C[C@@H](O)c3ccco3)c2)cc1 752105844 MNRYXTRMOYPZAX-ILBGXUMGSA-N 444.531 5.239 30 20 IKED O=C1/C(=C\c2cnc(-c3ccncc3)s2)CC/C1=C/c1cnc(-c2ccncc2)s1 753134698 LQDYTBJLUVDQQD-WHYMJUELSA-N 428.542 5.554 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCOc2c1ccc(Cl)c2Cl 753773975 LPUYKPQGALJZRF-KRWDZBQOSA-N 436.295 5.123 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(COC(=O)c2ccc(Cl)c(C#N)c2)cs1 754916356 BHLROVQAXFBFCV-UHFFFAOYSA-N 425.897 5.018 30 20 IKED O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccncc1)c1ncc(Br)s1 756842906 DQACVWKNCQAGGX-SREVYHEPSA-N 437.322 5.049 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)OCc2nccn2CC(F)(F)F)cc1Cl 761489427 WVKQNPZHCWBGBX-UHFFFAOYSA-N 435.789 5.120 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)c3cc(-c4ccc(F)cc4)nc4ccccc34)CCO2)c1 762296852 TVRHVLFCPQKRSI-SANMLTNESA-N 437.474 5.126 30 20 IKED C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 763727113 ZEJKLBGHPHZBOL-SXSPYAJSSA-N 448.567 5.109 30 20 IKED Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)OCc1nnc(-c2cccc(C#N)c2)o1 769882496 PVYJCQJQEUZDBD-UHFFFAOYSA-N 444.516 5.056 30 20 IKED O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1sccc1SC(F)F 770267989 HYXYXOZIYVPEFG-UHFFFAOYSA-N 443.369 5.846 30 20 IKED COc1ccc([C@H](OC)[C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 772236822 JYVWXATVMDONFO-AYCKEJKLSA-N 429.520 5.248 30 20 IKED CC1(C#N)CCN(Cn2nc(-c3ccccc3F)n(-c3ccc(Cl)cc3)c2=S)CC1 779879932 UENLLZNLNKLYJT-UHFFFAOYSA-N 441.963 5.446 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccccc1Oc1cccc(Br)c1 780163713 MEOTWEDYOJSQCR-HNNXBMFYSA-N 437.293 5.785 30 20 IKED CC(C)Oc1cccc([C@H](C)OC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 781667779 PLQYDTJRYDHRNE-KRWDZBQOSA-N 449.507 5.114 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1c[nH]c2ccccc12 786322783 MFJYGGZUZQFQTG-IUODEOHRSA-N 427.451 6.166 30 20 IKED CCOc1cc(C#N)ccc1OC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 786930661 UOBZTFPRJYSOIE-UHFFFAOYSA-N 446.290 5.242 30 20 IKED CC[C@H](NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl)C(F)(F)F 787684762 HDUUWMUECZNODH-VIFPVBQESA-N 449.729 5.250 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 788598709 IQVPVCLYYZLFRT-IRXDYDNUSA-N 438.553 5.120 30 20 IKED CC(C)(C)n1cc(/C=C2/CCc3nc(-c4ccccc4Br)sc3C2=O)nn1 790218714 CNDODIOVBQWLNN-BENRWUELSA-N 443.370 5.132 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)/C=C\Sc1cc(F)ccc1F 797937052 CJQAATXIPVRYDS-QIAWRQBBSA-N 448.516 5.004 30 20 IKED N#CC1CCC(CNC(=O)NCCCCCCc2nc(-c3ccc(Cl)cc3)no2)CC1 799384445 KUXTUXQVVDHOFE-UHFFFAOYSA-N 443.979 5.122 30 20 IKED CCCCN(Cc1ccccc1O)C(=O)Nc1cnn(-c2cccc(C#N)c2)c1CCC 801744992 RPZHGSKMWDAJDT-UHFFFAOYSA-N 431.540 5.236 30 20 IKED CCCC[C@H](ON=C(C)C)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 803651284 JOBYFIDZYYGMMT-VQTJNVASSA-N 428.495 5.261 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(C(=O)Nc3cc(C#N)c4ccccc4n3)ccc21 809077936 BENQCQFVDVRSPL-UHFFFAOYSA-N 428.492 5.046 30 20 IKED C=CCC(C)(C)CN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccsc1 814711639 QCYACLTUBLAZHQ-GOSISDBHSA-N 443.594 5.016 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)c2)s1 815670714 KTDBBPUIEJQUNP-UHFFFAOYSA-N 431.395 5.144 30 20 IKED COc1ccc(Cc2nnc(S)n2N=Cc2c(Cl)ccc(Cl)c2Cl)cc1 818267528 BULKMTMDYLBDHU-UHFFFAOYSA-N 427.744 5.009 30 20 IKED Cc1ccc(Cn2nc(C)c(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)c2Cl)cc1 818904625 POCWJTMBGLROOM-UHFFFAOYSA-N 445.872 5.002 30 20 IKED CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2cccc(C#N)c2)NC(=O)N1Cc1ccccc1 839391882 RHBHUTNFMGJZIC-VWLOTQADSA-N 436.515 5.046 30 20 IKED Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NCc1cc(C#N)ccc1Br 864007715 RIEBSGFHCBSMJU-HNNXBMFYSA-N 426.358 5.113 30 20 IKED N#CCCn1ncc(-c2nc(-c3ccc(COc4ccccc4)cc3)no2)c1-c1ccccc1 904445408 GOQRWLPWMNEVAK-UHFFFAOYSA-N 447.498 5.760 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 915085276 KCJXLWOJOIIVHJ-AREMUKBSSA-N 431.495 5.847 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ncc(-c4ccc(F)cc4F)o3)n2)cc1 915099762 AHHVBXPEOBOECC-GOSISDBHSA-N 449.482 5.861 30 20 IKED COc1ccc(-c2csc(/C=C/c3cn(CCC#N)nc3-c3ccccc3)n2)cc1OC 916141533 GJVRLBHZAVXLFM-ZRDIBKRKSA-N 442.544 5.775 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccco3)Cc3ccccc3O)cn2)cc1 916680511 KZLXWKYUJIBKHF-UHFFFAOYSA-N 440.459 5.278 30 20 IKED N#C[C@@H](C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 917043584 MHDUZPVJISEQDN-ZDUSSCGKSA-N 444.356 5.633 30 20 IKED Cc1ccc(OCc2nc(COC(=O)[C@H](Oc3ccccc3C#N)C(C)C)cs2)cc1 919638484 ZNMZWZHXBVENEG-HSZRJFAPSA-N 436.533 5.049 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2cccc3ccccc23)cc1 919904790 SPNXZJJDTDGHGY-WUFINQPMSA-N 431.539 6.864 30 20 IKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)sc2C)cc1 920105611 BNATZGKBJIACCK-HXUWFJFHSA-N 428.513 5.727 30 20 IKED C=CCOc1ccc(/C=C\C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OC 920138823 KPKUKECOWVWCTN-ITJCZCKWSA-N 446.528 5.282 30 20 IKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@H](C)c2ccc(C)s2)c1 920172677 KGJQTXJWGCEVDW-UZLBHIALSA-N 441.622 5.035 30 20 IKED CC(C)Oc1cccc(CC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 921131838 NGBDCQLHACIXDV-QFIPXVFZSA-N 428.488 5.156 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cnc(Cl)c(Cl)c4)CCC3)cc2)C1 1785808465 CVZWMOVGKVCSCS-UHFFFAOYSA-N 430.335 5.102 30 20 IKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)CCC3CCCC3)cc2)CCC1 1787619149 RDKUWZWHDFGLNN-UHFFFAOYSA-N 445.563 5.042 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3oc4ccccc4c3C)cc2)CCC1)C(F)(F)F 1788967364 BWEYACPLJCZXTE-UHFFFAOYSA-N 442.437 5.607 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4nc[nH]c4c3)CCC2)cc1 1789454507 ZOAVXPVMXHVPFE-OAQYLSRUSA-N 428.536 5.079 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4cccc(F)c34)CCC2)cc1 1789458137 MTEUKOYOKUXFGU-LJQANCHMSA-N 446.526 5.218 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ncc(F)cc3F)CCC2)cc1 1789624242 OPWBRWCBZKNDQT-UHFFFAOYSA-N 427.495 5.100 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(C)(C)C)nc2)n[nH]1 1814349173 ZSDWTAXSQNAHBZ-NRFANRHFSA-N 449.599 5.177 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1814445394 KQRLLDFXFCUOHS-GCJKJVERSA-N 447.583 5.335 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CCCCC2(F)F)n[nH]1 1815347474 YNWFXNQLECCYCD-AEFFLSMTSA-N 436.547 5.220 30 20 IKED CC(C)[C@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)CC1 1830017425 UZIMWCLUOMXKSK-QIGHUWCUSA-N 449.639 5.254 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)CC1 1830424198 UQWYPWRTSQZJGU-NRFANRHFSA-N 438.603 5.424 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc3ccc(C)cc3s2)CC1 1831372000 RIRXGBPHSPRGGQ-RXVVDRJESA-N 439.625 5.050 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)c2ccc(Cl)cc2)CC1 1832024855 KTDFKKBZTZQYRJ-YKSBVNFPSA-N 443.031 5.257 30 20 IKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)c2ccccc2Oc2ccccc2)C1 1844866753 HPQJZGZPLGNINY-UHFFFAOYSA-N 430.548 5.064 30 20 IKED Cc1ccc(Nc2nnc(SCC(=O)N(CCC#N)c3cccc(Cl)c3)s2)cc1 10317419 WKSDGECRQUJIDS-UHFFFAOYSA-N 443.985 5.283 30 20 IKED C[C@H](Sc1nnc(-c2ccccc2F)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 16771946 YQEXRBNEZCLNHD-LBPRGKRZSA-N 442.541 5.197 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](CCC)c2ccccc2)nnc1-c1ccc(F)cc1 21338221 XMIPGLQRMMOBDJ-LAUBAEHRSA-N 438.572 5.408 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccccc2CC)cc1 22695521 RZNXMQHGLNEOCC-UHFFFAOYSA-O 433.597 5.603 30 20 IKED CC[C@H](NC(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N)c1ccc(Cl)cc1 26142662 GWRXMTFDCWMZEV-INIZCTEOSA-N 427.879 5.294 30 20 IKED C=CCn1c(SCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)nc2ccccc21 32847475 PRDSLFQMUVYECE-LJQANCHMSA-N 448.573 5.347 30 20 IKED COc1cc(C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)ccc1S(C)(=O)=O 60217595 XCZFQWZKRJYUOL-CSKARUKUSA-N 432.950 5.377 30 20 IKED Cc1nc2c(cnn2C(C)C)cc1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 108948353 GYJWXUCINTUQBO-UHFFFAOYSA-N 441.510 5.174 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)cc1 111184792 OHCYXKSOMGXBKR-UHFFFAOYSA-N 434.517 5.145 30 20 IKED C=CCN(C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 112529596 ZVUHVAMJCKYFFN-UHFFFAOYSA-N 441.534 5.282 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NCc1cccc(OCCCC#N)c1 237335155 ZACBAIRSPYJOCI-MRXNPFEDSA-N 425.985 6.305 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)cc1Cl 304062136 RLVDPQXMHRJTDA-FDFHNCONSA-N 444.918 5.509 30 20 IKED N#CC1(CCCN2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)CCOCC1 410345014 MTFOQBYXYIIPDC-RUZDIDTESA-N 438.015 5.148 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cc2ccccc2s1 410393728 YFCDLYYZQZRMRQ-INIZCTEOSA-N 441.512 5.381 30 20 IKED Cc1cc(C2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)ccc1Br 425915483 IUZYCIMJIXXPMG-UHFFFAOYSA-N 437.341 5.059 30 20 IKED N#Cc1cccc(COc2cccc(CN[C@H](CC(=O)O)C34CC5CC(CC(C5)C3)C4)c2)c1 426751982 AAJUPXLDDLDROQ-STNUOMRGSA-N 444.575 5.287 30 20 IKED N#CCC[C@@H](NC(=O)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1)c1ccccc1 429500623 CPDKXFHGTHXRMP-LJQANCHMSA-N 427.430 5.117 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)Nc2c(-c3ccncc3)nc3ccccn23)cc1 430657894 IMUPAJKRDXCXMP-UHFFFAOYSA-N 447.523 5.671 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC(c2nc(-c3ccccc3OC)no2)CC1)c1ccccc1 432885966 NJNACCSMOWXXFY-JOCHJYFZSA-N 446.551 5.342 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](C)Oc1ccc(Br)cc1 438076688 SMAOLALASMTFFG-HUUCEWRRSA-N 448.386 5.290 30 20 IKED Cc1ccc(CN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C(C)C)s1 438712100 DRHHIHLVEBDRBD-UHFFFAOYSA-N 433.533 5.096 30 20 IKED FC(F)(F)COc1cc(OCC(F)(F)F)cc(-c2nc([C@@H]3CCC(F)(F)C3)no2)c1 439564285 CMRRZUJGQHIFGR-SECBINFHSA-N 446.294 5.522 30 20 IKED CCCc1c(NC(=O)N[C@H](c2ccccc2)c2cccnc2)cnn1-c1cccc(C#N)c1 439671632 HJIQUTMMYWOLKF-RUZDIDTESA-N 436.519 5.003 30 20 IKED CCCc1c(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C)cnn1-c1cccc(C#N)c1 440078405 MCIUKHREIMUIRF-UHFFFAOYSA-N 444.926 5.096 30 20 IKED CCCc1c(NC(=O)c2sc3cccc(F)c3c2COC)cnn1-c1cccc(C#N)c1 440098465 IPAHOXAXSUJBJR-UHFFFAOYSA-N 448.523 5.449 30 20 IKED C=CCC[C@@H](NC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1)c1ccc(C(F)(F)F)cc1 441553467 SRGQGHMJNUVBKP-OAQYLSRUSA-N 447.457 5.060 30 20 IKED N#C[C@@H](C(=O)c1ncoc1-c1ccccc1Cl)c1nc(-c2c(F)cccc2F)cs1 442811535 PDAWJONSKCBVOZ-LBPRGKRZSA-N 441.846 5.887 30 20 IKED C=CCCC[C@H](C)NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2Br)no1 443177953 ZQHUVGFOXXSDHN-YOEHRIQHSA-N 433.350 5.090 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 446267432 RRCCYPZCLHEQRX-IRLDBZIGSA-N 433.379 5.967 30 20 IKED C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[C@H]1c1ccc(Br)s1 460583965 LXPNTJXULKSBMK-HNNXBMFYSA-N 444.402 5.390 30 20 IKED CCO[C@@H](C)c1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)s1 463174585 SEZNHHWPCFLTGE-ZDUSSCGKSA-N 427.913 5.810 30 20 IKED CC(C)(c1cc(F)cc(C#N)c1)c1nc(-c2ccc3nc(-c4cscn4)[nH]c3c2)no1 463187097 YMFLKBARXWTDQZ-UHFFFAOYSA-N 430.468 5.073 30 20 IKED C[C@@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(Br)c1 463459802 BNZNSVXTJWOJJO-QGZVFWFLSA-N 449.348 5.836 30 20 IKED Cc1nc(-c2cccc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c2)cs1 463750151 OYBPRZFURWTUOQ-UHFFFAOYSA-N 447.507 6.395 30 20 IKED CCOc1cc(C)ccc1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 465160185 YJJVRTITRTUOGD-UHFFFAOYSA-N 429.520 5.361 30 20 IKED COc1ccc([C@H](NC(=O)N[C@H](C)c2ccc(C#N)cc2)c2ccccc2Cl)c(OC)c1 465650306 DQTWRDWSDFKJAX-VOIUYBSRSA-N 449.938 5.379 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(F)cc(Br)c2F)o1 468189584 PJMFTBBRJWCUNB-UHFFFAOYSA-N 433.208 5.023 30 20 IKED COCc1ccc([C@@H]2CCCN2C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)o1 468232571 ZWSCTBAAQWTNBM-UUOWRZLLSA-N 429.520 5.572 30 20 IKED Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 470269035 RVEZYACEIDCGOI-CLJLJLNGSA-N 426.516 5.504 30 20 IKED CC(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)(c1ccccc1)c1ccccc1 470846038 YPXRFUMZDVYACT-UHFFFAOYSA-N 437.543 5.214 30 20 IKED CCOc1ccc(-c2nc(CC)c(C(=O)Nc3ncccc3OCCCC#N)s2)cc1 470900846 SQTLRFPKGGRSDU-UHFFFAOYSA-N 436.537 5.101 30 20 IKED N#Cc1cccc(-c2cc(C(=O)N3CCC(c4nc5cc(Cl)ccc5s4)CC3)on2)c1 471298766 UGOKRECFNXDSDB-UHFFFAOYSA-N 448.935 5.496 30 20 IKED CC(=O)Nc1cc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc(C(F)(F)F)c1 471393169 PPZMJWWLXPLIRT-UHFFFAOYSA-N 429.423 5.516 30 20 IKED C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 472194783 VHPWPHDJDUPYCJ-JIMOISOXSA-N 436.318 5.681 30 20 IKED CC(C)Sc1ccccc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 472542366 QNAAFPITNYHYSV-UHFFFAOYSA-N 436.537 5.162 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1 472871491 PJOOCRBLAFOYEW-FPOVZHCZSA-N 431.471 5.057 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 474506633 AVPMBUXAECVNCY-NHTMILBNSA-N 430.939 5.306 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C 475581686 KNFNXGMTEXODNO-IBGZPJMESA-N 435.568 5.068 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cc(F)c(Br)cc2Cl)cc1 475597557 XCOLCBFGFVPGJD-UHFFFAOYSA-N 425.685 5.201 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(C)ccc1SCC(F)(F)F 476138370 GXXNXKRLASAHGH-UHFFFAOYSA-N 440.535 6.037 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F 481358556 JCWFKCCUUNYTFZ-SFHVURJKSA-N 430.421 5.134 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC1CCN(c2nc3ccccc3s2)CC1 481852660 SUTSAYGEEZHJKF-UHFFFAOYSA-N 447.608 5.005 30 20 IKED C[C@H](NC(=O)Nc1ccn(CCC#N)n1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 483793770 PFOJJFWYLIFNFN-ZDUSSCGKSA-N 433.459 5.427 30 20 IKED C[C@@H](NC(=O)CSc1ccc(C#N)cc1)c1ccc(NC(=O)Nc2ccccc2)cc1 484699302 ZYJXVUWXXBOAQK-QGZVFWFLSA-N 430.533 5.172 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3ncc(-c4cccc(Cl)c4)o3)o2)cc1 489782699 JZKGWRBTYOTTHV-UHFFFAOYSA-N 425.897 5.902 30 20 IKED CN(CC(C)(C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2 497367591 RNKZYOJRLFTZEM-PDGQHHTCSA-N 439.515 5.072 30 20 IKED C=CCOc1ccc(C(=O)N(CC)[C@H](c2ccc(Cl)cc2)c2ccccn2)cc1OC 498338207 ZRUZLPCLPBLUMR-XMMPIXPASA-N 436.939 5.560 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)cc1 503342521 JVDWDTDUCZQWJO-UHFFFAOYSA-N 430.414 5.143 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCC3(c4ccc(F)cc4)CC3)c2)cc1 505080703 RXIRZVPXSCVDSI-UHFFFAOYSA-N 429.495 5.324 30 20 IKED CCOc1cc(CN(C)C(=O)c2ccccc2-c2ccccc2C#N)ccc1OC(F)F 512984778 JXAQMGIGPVKFKG-UHFFFAOYSA-N 436.458 5.498 30 20 IKED COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 513010892 LPUPZHCTTWPQKP-UHFFFAOYSA-N 442.450 5.245 30 20 IKED CCOc1cc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1OC 513991005 BMNDVOBHSZCNFQ-UHFFFAOYSA-N 433.483 5.339 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)[C@H]1CCCc2ccccc21 516748657 XPWDSLFMFWEYTC-VWLOTQADSA-N 439.515 5.134 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@@H](C)c1ccc(C(F)(F)F)cc1 517451560 OJQSHGMGYLPNBK-GJZGRUSLSA-N 438.540 6.533 30 20 IKED C[C@@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)Nc1ccccc1Br 518238654 MKFDXEJLQVSLON-OAHLLOKOSA-N 436.309 5.552 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@@H](N3CCCC3)C2)cc1Cl 521700189 VMUPLAZBQQBBPF-GGAORHGYSA-N 436.987 5.478 30 20 IKED Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 521748029 IWNDKGHQDUCIGS-WMZOPIPTSA-N 443.016 5.548 30 20 IKED COc1cc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 522642304 CBIYYCJZCOPJQT-JLCFBVMHSA-N 443.887 5.251 30 20 IKED Cc1ccc(OC2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)cc1 523983080 YXBXHRUDRYNFDG-UHFFFAOYSA-N 427.504 5.734 30 20 IKED Cc1cc(C)c2c(-c3ccccc3)nc(SCc3nnc(-c4ccc(C#N)cc4)o3)n2n1 525111004 BUXHOXHYWWXIHP-UHFFFAOYSA-N 438.516 5.227 30 20 IKED Cc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 535615747 DGIMNJNJNBXZHN-UHFFFAOYSA-N 433.895 5.267 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(-c3ccccc3)cnc2C)cc1C 536317300 HJDYSLRDMRAHAZ-UHFFFAOYSA-N 435.531 5.703 30 20 IKED Cc1ccccc1NC(=O)[C@H]1CCc2ccccc2N1C(=O)c1ccc(C2(C#N)CC2)cc1 539632658 OFQLQMMBMQDNJL-RUZDIDTESA-N 435.527 5.151 30 20 IKED COc1cc(CN[C@@H](c2ccccc2)[C@H]2CCOC2)ccc1OCc1cccc(C#N)c1 540399755 ZWZBTPHORWWJDJ-IGKIAQTJSA-N 428.532 5.013 30 20 IKED CC(C)Cn1ncc(NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1C(C)C 541102263 YCTKJUSOFDWKHZ-UHFFFAOYSA-N 425.924 5.017 30 20 IKED COc1cc([C@@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1S(C)(=O)=O 543962833 KXBXNYKSJPISTK-ZWKOTPCHSA-N 434.561 5.049 30 20 IKED O=S(=O)(Cc1ccc(F)cc1F)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 548043801 MIPDRTWKYBOSDU-HNNXBMFYSA-N 447.347 5.097 30 20 IKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1Cl 548610725 GPZUMWSUAKYEJF-GOSISDBHSA-N 436.726 5.152 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)o3)CC2)c1 550745849 CAWGANRKAMQTIS-UHFFFAOYSA-N 440.421 5.521 30 20 IKED CCCCOc1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c(C)c1 554191403 KRYULLHVRALORV-UHFFFAOYSA-N 425.504 5.260 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N 558404779 HZICSYHJCTVQSR-OCCSQVGLSA-N 442.972 5.531 30 20 IKED Cc1ccc(OCc2ccccc2)c(NC(=O)C(=O)N[C@H](CCCC#N)c2ccccc2)c1 560282582 GSYYMJRQFTYNRE-HSZRJFAPSA-N 441.531 5.064 30 20 IKED O=C(NCCC1(F)CCC1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 561645143 UWDYEMLMTZOCNX-HHUWHTLVSA-N 429.420 5.507 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1 569267845 FLZYDSOHWPLBFT-UHFFFAOYSA-N 439.972 5.482 30 20 IKED C=CCn1c(C2CCCC2)nnc1N(CCC)Cc1nnc(-c2ccccc2Cl)o1 569531806 FVTUFJJXXPMEKQ-UHFFFAOYSA-N 426.952 5.242 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)CCc3ncc(-c4ccccc4Cl)o3)cc2)ccn1 579416513 KPRIRPAPOMWZTH-UHFFFAOYSA-N 444.878 5.625 30 20 IKED CC(C)OC(=O)C[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccccc1 579990971 YUXQWDLSRQPUNH-FXAWDEMLSA-N 425.554 5.143 30 20 IKED COc1ccc(COCc2cccc(NCc3ccc(C#N)cc3C(F)(F)F)c2)cc1 583842022 YAIDARBONLTNSB-UHFFFAOYSA-N 426.438 5.915 30 20 IKED CC(C)(C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 589052483 XXVUNTMTGBBGPT-STQMWFEESA-N 435.330 5.572 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)cc1 603744339 KCZDBJOMMJCPOI-UHFFFAOYSA-N 444.343 5.924 30 20 IKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc2c(c1)CCC(=O)N2 603911985 FQVIETDZIJQHEZ-KRWDZBQOSA-N 441.556 5.226 30 20 IKED Cn1c(S[C@H](C#N)Cc2ccccc2)nc2scc(-c3ccccc3Cl)c2c1=O 604071736 XTUKKNMCVDWCEF-HNNXBMFYSA-N 437.977 5.542 30 20 IKED Cc1ccc([C@@H](C)N(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(C)c1 604085206 VTLAMJVPIXGKHG-OAQYLSRUSA-N 427.548 6.173 30 20 IKED CSCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)oc2ccccc12 604417423 ZQFJXQOIYKFGJG-QGZVFWFLSA-N 429.526 5.781 30 20 IKED C=CCN(CCc1ccccc1)C(=O)Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1 604803458 JHRXDSZVZFHMQO-UHFFFAOYSA-N 435.568 5.477 30 20 IKED O=C(Nc1ccc(Oc2cccc(F)c2)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 605030665 FQAUAICGXPBNGA-UHFFFAOYSA-N 436.327 5.967 30 20 IKED CC(C)CC(=O)Nc1ccc(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F 607805367 YXLSEDNKTVDEHZ-BETUJISGSA-N 442.375 5.013 30 20 IKED Cc1nn(C(F)F)c(C)c1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609062205 FRRVPPFIJNTNAF-UHFFFAOYSA-N 444.869 5.180 30 20 IKED COc1ccc([C@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C2CC2)cc1 609078226 HELZFGPPDAPIPE-AREMUKBSSA-N 441.531 5.727 30 20 IKED CCc1nc(CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cs1 609080421 ZVLIUFJRCGFQLB-UHFFFAOYSA-N 440.956 5.174 30 20 IKED COCCCCN(Cc1ccccc1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 609298213 NXIQKMOLOGOLFZ-UHFFFAOYSA-N 432.495 5.559 30 20 IKED COc1ccc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC1CCCC1 609438656 NRDDKXYMIGLURA-KRWDZBQOSA-N 439.581 5.733 30 20 IKED CC[C@@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609438870 ZMRIHOMSVAPRKR-DEOSSOPVSA-N 427.504 5.289 30 20 IKED N#CCCn1ccc(NC(=O)c2ccccc2SCc2ccc(Br)cc2)n1 609788117 FVXIGYSQUUAGKX-UHFFFAOYSA-N 441.354 5.104 30 20 IKED Cc1cccc([C@@H](C)CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 610159058 ZXRVZXGYUQFDFC-IBGZPJMESA-N 443.572 5.131 30 20 IKED C[C@@H](NC(=O)N[C@H](Cc1nccn1C)c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 611846869 AYNLYOMZLGPXMF-FQRUVTKNSA-N 449.558 5.303 30 20 IKED N#Cc1c(F)cccc1C(=O)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 614486436 FHMJRDYPVUPICI-DEOSSOPVSA-N 448.542 5.026 30 20 IKED CN(Cc1ccc(C(C)(C)C#N)cc1)Cc1cccc(Br)c1OCC(C)(C)O 615647864 JUBMUBQCNYVJKI-UHFFFAOYSA-N 445.401 5.032 30 20 IKED N#Cc1ccc(CNC(=O)N[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cc1Cl 619769428 NBHWQCYQUKFOIP-GOSISDBHSA-N 440.931 5.351 30 20 IKED O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)Nc1cccc(C#Cc2cccs2)c1 642480211 BWAWGGRZGREQEX-UHFFFAOYSA-N 443.572 5.096 30 20 IKED Cn1nc(C(F)F)c2cc(C(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)sc21 684205993 ZEBHRRJOCRNUSA-JIGDXULJSA-N 449.367 5.212 30 20 IKED CCCCc1ccc([C@@H](NC(=O)NCc2ccc(OCC#N)cc2)c2cccs2)cc1 727844911 UDBLEUCFLWAODD-XMMPIXPASA-N 433.577 5.582 30 20 IKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N(CCC#N)CC(C)(C)C)cc3)ccc12 729445279 GVVHQCRKWREUER-UHFFFAOYSA-N 432.520 5.082 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)c1 730396974 VHZRFGITXKFMIO-KRWDZBQOSA-N 426.444 5.286 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1nc2cc(F)ccc2s1 730420215 BKNXRCPVTVNXDI-NSHDSACASA-N 433.942 5.693 30 20 IKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1ccc2ccccc2c1 730584688 YJNNHMPQOABXGH-UHFFFAOYSA-N 429.332 5.488 30 20 IKED Cc1nc(C(C)(C)C)sc1C(=O)/C=C\c1ccc(OCc2occc2C(=O)O)cc1 730948863 NRDDFMCNSWDVDI-YFHOEESVSA-N 425.506 5.515 30 20 IKED C[C@@H](OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C(=O)Nc1ccccc1Cl 732380783 SWSMDFHNOGYFSI-MRXNPFEDSA-N 434.879 5.382 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3cccc(Br)c3)cc2)c1 732900312 LDJALQWYRMHRHY-OAQYLSRUSA-N 449.304 5.511 30 20 IKED Cc1cccc(C(=O)OCc2cc(Cl)ccc2OCC#N)c1NC(=O)c1ccoc1C 735346231 SYUKLTCVYNXVAN-UHFFFAOYSA-N 438.867 5.062 30 20 IKED CSCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1Cl 735969129 DRPAWJJWGXNDDL-SFHVURJKSA-N 448.013 5.053 30 20 IKED C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 739156612 ZYSQGKNVPIAYPN-IAQYHMDHSA-N 443.252 5.538 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Cc3ccc(C(F)(F)F)cc3)n2)cc1 739160539 UDOHKUSTYZRZNX-KUHUBIRLSA-N 444.478 5.893 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1ccccc1-c1ccccc1C#N)c1ccccc1 742125432 KVAJEBFMBKHVHI-DEOSSOPVSA-N 441.531 5.221 30 20 IKED CC(=NNc1nc2cc(C(F)(F)F)ccc2s1)c1ccc(N2CCOCC2)c(F)c1 743445370 RKZGWBSDFPKBLC-UHFFFAOYSA-N 438.450 5.127 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@]3(C)CCCN(C(=O)c4ccccc4)C3)n2)cc1 744036266 YUVDIYSQYJHYGN-QFQXNSOFSA-N 443.572 5.237 30 20 IKED COc1ccc(Cl)cc1NCCC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 744074680 OLQDIQJUONLYCY-CYBMUJFWSA-N 447.894 5.429 30 20 IKED CCc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)o2)cc1 745596309 DVEIQRQGXBSWQY-KRWDZBQOSA-N 448.544 5.556 30 20 IKED CCC(CC)c1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)N[C@@H](C)CC)cc1 749887980 BTLVYXPAYBZKHT-KRWDZBQOSA-O 440.633 5.247 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2nc(-c3cccc(C#N)c3)cs2)cc1 752376754 WALVQGMVCPOJMD-UHFFFAOYSA-N 434.521 5.210 30 20 IKED N#C[C@@H](C(=O)Cc1c[nH]c2cccc(Br)c12)c1nc2ccccc2n1C(F)F 754532069 PZHJXNIAJRHJHG-LBPRGKRZSA-N 443.251 5.094 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cn(Cc2ccccc2)c2ccccc12 756779365 KECWVIKJSJMZGV-UHFFFAOYSA-N 443.890 5.010 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)cc1Cl 758569445 ROKAKWQNFKCNFG-XKCSPQBFSA-N 449.938 5.708 30 20 IKED C=CC[C@]1(C(=O)Oc2ccc(-c3c(C)noc3C)cc2)CCCN1C(=O)OC(C)(C)C 759910690 MJSIRNKHSSMOHF-XMMPIXPASA-N 426.513 5.210 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)Nc3ccccc3-c3cc(F)c(F)c(F)c3)CCO2)c1 761878297 BRVVWXNMBJJCBH-JOCHJYFZSA-N 437.421 5.248 30 20 IKED N#C[C@H](C(=O)Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(Cl)ccc2s1 766263228 OZVWGIARBQTLJR-CQSZACIVSA-N 444.741 5.612 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)Nc1ccccc1O[C@@H](C)C#N 767885056 WWZVBNYIJRXXQZ-INIZCTEOSA-N 448.910 5.836 30 20 IKED CC(C)[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1cccc(C(F)(F)F)c1 775332603 HUCDHMPOGJATRR-PGRDOPGGSA-N 438.453 5.229 30 20 IKED C[C@H](N[C@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1C(F)(F)F 775458727 MIRQPWMGFZFOGC-JGVFFNPUSA-N 426.307 5.079 30 20 IKED COc1ccc2nc(NN=Cc3csc(N(C(C)=O)c4ccc(C)cc4)n3)c(C)cc2c1 777913812 SXVFOBKCFODZKE-UHFFFAOYSA-N 445.548 5.447 30 20 IKED C#CCOc1ccc(COC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 786973282 HZCDZLVJRAUEKQ-UHFFFAOYSA-N 445.302 5.122 30 20 IKED C[C@H]1CN(c2ccccc2F)CCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 789033613 PFEUCBMVHDSKRW-WMZHIEFXSA-N 428.511 5.224 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)Nc1cc(C#N)ccc1OC(F)F 790903464 GLLUDONUQBCVPJ-UHFFFAOYSA-N 431.439 5.078 30 20 IKED N#C[C@@H](C(=O)C1(c2cc(F)cc(Br)c2)CC1)c1nc2cc(F)ccc2s1 796995323 QHQWDFAVLSGKGW-AWEZNQCLSA-N 433.277 5.245 30 20 IKED COc1ccc(NC(=O)c2cc(F)c(C(F)(F)F)cc2F)cc1OCC(F)(F)F 804250653 OTAXSPJDTHUSIR-UHFFFAOYSA-N 429.263 5.186 30 20 IKED Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cs1 810522068 WLDNTOFANMBETM-IBGZPJMESA-N 429.520 5.960 30 20 IKED CC[C@@H]1[C@H](C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)CCN1C(=O)OC(C)(C)C 810534145 HXGVYCSWMKEIEP-ZIFCJYIRSA-N 425.554 5.022 30 20 IKED N#Cc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)nc3)C2=O)c(C(F)(F)F)c1 811624859 UQCDJUUPCYWRNF-AWNIVKPZSA-N 425.844 5.031 30 20 IKED O=C(/C=C\c1csc(COc2ccc(Cl)cc2)n1)c1ccc(Br)nc1 811695813 FARLKZHEGVZQBU-DAXSKMNVSA-N 435.730 5.429 30 20 IKED C=CCn1c(-c2cccc(Cl)c2)nn(CN2CC(C)(C)[C@H]2c2ccncc2)c1=S 814229710 RMZUXVODKSNDLG-LJQANCHMSA-N 425.989 5.356 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)cc1 837838781 PQOAKCLLXUQJIW-GCJKJVERSA-N 444.560 5.112 30 20 IKED Fc1c(F)c(F)c(CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(F)c1F 849120246 JHWBDYKRKMAQMQ-UHFFFAOYSA-N 433.711 5.389 30 20 IKED Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 915175344 YMTIGBOOGGAJQV-UHFFFAOYSA-N 429.867 5.145 30 20 IKED Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccc(OCc4ccccc4C#N)cc3)o2)cc1 915511954 LDQNACDLSRONNN-GOSISDBHSA-N 439.471 5.414 30 20 IKED Clc1ccc(CSc2nncn2N=Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 916546027 BPAZMVHEVHFICC-UHFFFAOYSA-N 429.332 6.019 30 20 IKED N#C[C@@H](C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1 916900224 VXDKRWUVDZPLBK-WLMCBFPDSA-N 426.316 5.085 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1 916913549 HNWGRDSRNCCFHX-FQEVSTJZSA-N 449.938 5.618 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(COc3ccccc3C#N)o2)cc1 916951140 WWBRGBBNQINCSB-JTSKRJEESA-N 441.487 5.205 30 20 IKED Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917047447 XNWZNYLSQFFADH-PKOBYXMFSA-N 439.968 5.279 30 20 IKED C=CCN(Cc1ccc(OC)cc1)Cn1nc(-c2cccnc2)n(-c2ccccc2)c1=S 917485790 XZLKVUMAXFTDDE-UHFFFAOYSA-N 443.576 5.120 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/C(=O)c3c(O)ccc(F)c3[C@H]2C)cs1 917559208 FZQJKFMFFFAGBM-UJFYRASASA-N 426.444 5.195 30 20 IKED Cc1cc(-c2noc([C@@H](C)OC(=O)c3ccc(COc4ccccc4C#N)o3)n2)ccc1F 919514277 RBKNAQUMXUWMPO-OAHLLOKOSA-N 447.422 5.146 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@@H](C#N)c2nc(C)cs2)c(OC)c1 920103700 HSYXXSMQDULDHB-HXUWFJFHSA-N 445.544 5.426 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)C(CC)(CC)Cc2nc3ccccc3s2)n1 920327649 IUFVPKCISNDULJ-AWEZNQCLSA-N 441.578 5.155 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(-c2ccccc2F)n1 920791672 AZUDNSYPXUAPSL-GFCCVEGCSA-N 434.279 5.217 30 20 IKED CC(C)(C)Cn1c(O)nc2cccc(C(=O)Nc3ccc(Oc4ccc(C#N)cn4)cc3)c21 1434913737 RMUYUKQVZHZLEX-UHFFFAOYSA-N 441.491 5.099 30 20 IKED Cc1ccncc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1788821803 ZBHAFSNNWGQWCF-LJQANCHMSA-N 438.531 5.079 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4c[nH]c5ccccc45)cc3)CCC2)cc1 1790396539 NLRFLNXHWVENBP-UHFFFAOYSA-N 448.526 5.030 30 20 IKED Cc1ccsc1C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790703290 MRYDDDYSSPLPBB-UHFFFAOYSA-N 429.545 5.184 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3cccc4ncccc34)CCC2)cc1 1791243990 HXPBCENJQBAQSI-LJQANCHMSA-N 427.548 5.124 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)cc(OC)c3)CCC2)cc1 1791730158 LBMXRKQXQJEPTR-UHFFFAOYSA-N 438.955 5.290 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)Cc3ccccn3)cc2)CCC1 1791766749 ITINQRFWQDTLHW-YKSBVNFPSA-N 431.580 5.163 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OC(C)(C)C)cc1 1800498505 URVNMQWTFOOAFZ-WKCHPHFGSA-N 426.601 5.108 30 20 IKED Cc1ccc(-c2ccccc2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(C#N)c2)C3)cc1 1800605053 PVFITIPBWBLKDH-QEIWAGNOSA-N 449.554 5.099 30 20 IKED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1 1804177633 ZKRNCLAOUZKZGT-URXFXBBRSA-N 445.673 5.003 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](C)c3ccc(OC)cc3)C2)CC1 1805322486 RPQVNMFEABWEJH-NRFANRHFSA-N 440.628 5.022 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)[C@@H]1c1cccnc1 1812900053 XNEHRPFYPPUNAE-WMIMKTLMSA-N 439.644 5.296 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3sccc3[nH]2)n[nH]1 1819190501 QEMHGTCXWQDVFH-KXBFYZLASA-N 437.569 5.027 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)nc(CC)c2)CC1 1829066567 JOIXUOLHWLOEDK-XMMPIXPASA-N 439.644 5.178 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3sccc3[nH]2)CC1 1829069456 YJIMMLMLFBEYNF-OAQYLSRUSA-N 441.641 5.455 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CC3CCCC3)CC2)c1 1832633715 DMEOKPZXCUIDCF-NBGIEHNGSA-N 435.612 5.127 30 20 IKED CC(C)OCCCn1c(SCc2cc(C#N)ccc2F)nc2cc(Cl)ccc2c1=O 10890805 TUHPMSZZKKNKEG-UHFFFAOYSA-N 445.947 5.168 30 20 IKED C=CCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccccc1C 14081922 KLULVQZRTCGBAJ-UHFFFAOYSA-N 433.364 5.477 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)(C)C)cc1)=C(/S)Nc1cc(C)ccc1C 22729663 YFBLHRRQPGRWQF-UHFFFAOYSA-O 445.652 6.502 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(CC)c2)[n+]2ccc(N(C)C)cc2)cc1 22732345 FGSYLPAEDWESFJ-UHFFFAOYSA-O 448.612 5.052 30 20 IKED COc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1N1CCCC1=O 28040925 GMXSIAPMJCIPIC-UHFFFAOYSA-N 443.528 5.097 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 32143762 BXSFTZPLPFPDJP-UHFFFAOYSA-N 439.515 5.016 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCOc2c(Br)cccc21 410089288 SMIRKVQNHRGVKQ-FQEVSTJZSA-N 442.357 5.012 30 20 IKED C=CCN(C(=O)c1cccc(COC2CCOCC2)c1)c1nc(-c2ccccc2)cs1 428338703 ZNOVUYYLTDVBDX-UHFFFAOYSA-N 434.561 5.339 30 20 IKED CCCCn1ccnc1-c1cccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)c1 428494869 CFNGAAPUOBLXBZ-UHFFFAOYSA-N 438.535 5.380 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 436348237 WGESPBBUNDMYBY-RPVQJOFSSA-N 430.371 5.378 30 20 IKED CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 437471671 JOJNGEVYZJFBNA-UHFFFAOYSA-N 442.450 5.326 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)N1CCC(C(F)(F)F)CC1 438363968 MUCGNOPELGDGHY-UHFFFAOYSA-N 436.368 5.869 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)cc1 439510669 HHMXUMBVUIJGPI-AIZKBTNYSA-N 449.551 5.153 30 20 IKED O=C(Nc1ccc(CCC(F)(F)F)cc1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 439649911 DEHOEJZINGERNP-UHFFFAOYSA-N 445.338 5.777 30 20 IKED CCCc1c(NC(=O)N(CCC)Cc2ccc(C#N)cc2)cnn1-c1cccc(C#N)c1 439701318 JMWZEUGMLZLVRR-UHFFFAOYSA-N 426.524 5.012 30 20 IKED C=CCSc1ccccc1C(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 447686692 AJFREUCWOWDWQF-UHFFFAOYSA-N 432.332 6.106 30 20 IKED N#C[C@@H](NC(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)c1ccccc1Cl 463816167 CHKNHOYJURFFLQ-HXUWFJFHSA-N 432.842 5.191 30 20 IKED CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C1 463920319 LHAUHANUAUSBPT-KRWDZBQOSA-N 440.927 5.198 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1)c1cc(C(F)(F)F)ccn1 464400087 GNHOBOAQDMXINI-MRXNPFEDSA-N 438.434 5.505 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cnn(Cc3ccccc3)c2)cc1 467700216 JEYIKZGIUZYXAG-UHFFFAOYSA-N 439.494 5.176 30 20 IKED Cc1ccc(-c2nc(CNC(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)co2)cc1 467729790 JNQJXIJCGCRAOQ-UHFFFAOYSA-N 442.450 5.775 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)cc1Cl 468643721 SGODMYWTNGIPBU-LADGPHEKSA-N 435.911 5.071 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N(CCc3ccccc3)C3CCCC3)ccc21 470543327 MQLFSUFWVSRHDI-UHFFFAOYSA-N 444.579 5.289 30 20 IKED C[C@@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1ccc(NC(=O)Nc2ccccc2)cc1 474915756 YXYOPXGTLUZXCA-DENIHFKCSA-N 426.520 5.595 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)C[C@@H](CC#N)c2ccccc2)c1C 476084250 LPPBQRSJTYLUBE-QGZVFWFLSA-N 427.335 5.822 30 20 IKED C=CCOc1ccccc1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 477525630 DVVRDFQXIYWSEP-UHFFFAOYSA-N 429.495 5.174 30 20 IKED COc1ccccc1-c1csc(C2CCN(C(=O)N[C@H](C)c3ccc(C#N)cc3)CC2)n1 478799633 VHOFSMCSVZHDTI-QGZVFWFLSA-N 446.576 5.341 30 20 IKED CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1c(F)cc(C#N)cc1F 479565390 JNLRMUVUEBVNEJ-UHFFFAOYSA-N 434.471 5.023 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C)c2C)nnc1-c1cccc(Cl)c1 481379283 WWKPTRMWMVCOHR-MRXNPFEDSA-N 426.973 5.521 30 20 IKED N#Cc1ccc(SCC(=O)N(Cc2cccnc2)c2ccc(Br)cc2)cc1 483407677 HSPDEIBYBHUFAN-UHFFFAOYSA-N 438.350 5.041 30 20 IKED C=CCn1c(S[C@@H](C)c2cc([N+](=O)[O-])ccc2C)nnc1[C@H]1COc2ccccc2O1 484570889 SDSBOLLCUIJBME-MGPUTAFESA-N 438.509 5.047 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1 486222225 NNACLMOCPMUTER-SANMLTNESA-N 446.620 5.192 30 20 IKED N#CCCC[C@H](NC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1)c1ccccc1 487457500 ZWSBAAJYKXBHLE-IBGZPJMESA-N 444.318 5.725 30 20 IKED Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c2cnn(C(C)C)c2n1 488015125 QKGBYLYQVSYGPN-UHFFFAOYSA-N 441.510 5.174 30 20 IKED COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1sc2c(c1C#N)CCCCCC2 488164875 WCFMIBUOSIFXSI-UHFFFAOYSA-N 445.566 5.178 30 20 IKED Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 490499762 RLXOIICCYKVNNC-WBVHZDCISA-N 425.945 5.106 30 20 IKED CCSc1ccc([N+](=O)[O-])cc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 490719875 NNRBOJJSDYJTFB-CYBMUJFWSA-N 445.472 5.599 30 20 IKED Cc1ccc([C@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1[N+](=O)[O-] 492935371 DARRFFLVLKMJDY-SFHVURJKSA-N 444.491 5.431 30 20 IKED C=CCc1cc(CNC(=O)N(C)[C@@H](C)c2cccc(C(F)(F)F)c2)cc(OC)c1OC 497801692 RZCUTZAZLCIQBZ-HNNXBMFYSA-N 436.474 5.354 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c(C)c1 498827663 FSFPNXLNCNHJSL-QGZVFWFLSA-N 426.561 5.251 30 20 IKED COc1cccc(/C=C(/CC(=O)NCc2ccc(C#N)cc2)c2nc3ccccc3s2)c1 499242548 HBWQRCUUVBRIHP-BKUYFWCQSA-N 439.540 5.424 30 20 IKED Cc1nc([C@@H]2CCCCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)no1 500921401 FKOWRWZUQOVPCQ-UNMCSNQZSA-N 449.942 5.836 30 20 IKED Cc1cc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)ccc1NC(=O)c1ccco1 501150536 NLJVLYRUTANZFR-UHFFFAOYSA-N 430.508 5.402 30 20 IKED CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 501454158 UQSLOLOZNTZUPP-UHFFFAOYSA-N 433.489 5.214 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1ccc(-n2c(C)cnc2O)cc1 502398518 LPAHQPYVYQSSEJ-HNNXBMFYSA-N 430.961 5.060 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)n1 502691153 ZXYAPXZGWJUCQW-IBGZPJMESA-N 432.936 5.507 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 503464771 RNFTVAABYIVQFR-AWEZNQCLSA-N 438.380 5.272 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C2CC2)cc1 503988837 GCWXPFLVLACGTG-SANMLTNESA-N 441.531 5.613 30 20 IKED COc1cc(CN(C)C(=O)N[C@H](C)c2ccc(C#N)cc2)ccc1OCc1ccccc1 505326905 XJWMFCDKPZXOCP-LJQANCHMSA-N 429.520 5.048 30 20 IKED CC(C)(C(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1)c1cc(F)cc(C#N)c1 506787221 BEUBRERDXKEJFD-UHFFFAOYSA-N 449.353 5.146 30 20 IKED CC1(C#N)CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc(F)cc2)CCC3)CC1 509419879 UQLOWQXGARTNJM-JZJYNLBNSA-N 439.534 6.017 30 20 IKED CC1(C#N)CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(F)cc2)CCC3)CC1 509419880 UQLOWQXGARTNJM-LVZFUZTISA-N 439.534 6.017 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)cc1Br 509848701 BRJMGPVPXFCWAM-KRWDZBQOSA-N 436.334 5.551 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cc1Cl 510642038 XWXLJKXHFHXFAH-GMAHTHKFSA-N 449.938 5.802 30 20 IKED CC(C)(C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1)c1cc(F)cc(C#N)c1 510830134 MYXLJDXLKGWEKW-UHFFFAOYSA-N 432.933 5.270 30 20 IKED COc1ccc(Br)cc1NC(=O)c1cccc(COc2ccccc2C#N)c1 513483250 JNRHYUYUCAKFAL-UHFFFAOYSA-N 437.293 5.161 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)c1 513706574 SBFWRJCOWXQFLF-FQEVSTJZSA-N 436.298 5.439 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2nc(C)c(C(F)(F)F)s2)cc1C 514650309 VQOLHSLPSPQIBH-UHFFFAOYSA-N 433.459 5.117 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccc(Br)cc2)c1)c1nc(-c2ccccc2)cs1 515544150 KYVGEWXWTHNERD-SFHVURJKSA-N 449.333 5.248 30 20 IKED C=CCN(C(=O)c1ccc(-c2ccc(Cl)cc2)cc1F)c1nc(C(=O)OCC)cs1 518030098 PYCFNFDURDAZMF-UHFFFAOYSA-N 444.915 5.612 30 20 IKED C[C@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1S(=O)(=O)CCCCC#N 518302862 OUUVPAGSELEODF-QFBILLFUSA-N 441.984 5.353 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 518307318 CKQMBJWTEMYFGI-MHZLTWQESA-N 445.522 5.205 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1nc2cc(Cl)ccc2s1 520750853 MHEWBTOVTJTWQS-LBPRGKRZSA-N 447.734 5.932 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C)O[C@@H](C)C2 521662633 RQHXLMCRYQDXMO-JKFKMHIGSA-N 447.579 5.004 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H]3CCC[C@@H]3c3ccccc3)s2)cc1 523632059 VHQTVTJCLIECFY-RTBURBONSA-N 435.578 5.160 30 20 IKED COc1cc(CS[C@H](C)c2nc(C(C)(C)C)no2)ccc1OCc1cccc(C#N)c1 523935885 NGTHZPAMADPQRL-MRXNPFEDSA-N 437.565 5.821 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccc(C(C)C)cc2)o1 524290516 SETNTFCIXLDMAJ-INIZCTEOSA-N 427.595 5.617 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(C)n(-c2nccs2)c1C 524406320 YETKOQHZFAVUBH-UHFFFAOYSA-N 442.544 5.562 30 20 IKED COCCn1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c2ccccc21 524407938 VNAFIXYIPSHJML-UHFFFAOYSA-N 439.515 5.299 30 20 IKED N#Cc1cccc(-c2nnc(CSc3nnc(-c4cccs4)n3-c3ccccc3)o2)c1 525111190 OJJZGNKDRVEEFS-UHFFFAOYSA-N 442.529 5.210 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@@H](C)c1sc(-c2ccccc2)nc1C 525761183 ABOJLDQMDJZFQZ-PKOBYXMFSA-N 448.592 5.113 30 20 IKED CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c(C#N)s1 533807369 JJGCHVFHKHQVGN-OAHLLOKOSA-N 429.973 5.062 30 20 IKED COc1ccccc1[C@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1ccccn1 534838157 CHVNNKVDHPFLPZ-SANMLTNESA-N 434.499 5.225 30 20 IKED C=C[C@@H](CC(=O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1)c1ccccc1 535500954 PRICJNMEVUIVGU-AWEZNQCLSA-N 438.325 5.675 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1ccc([S@](C)=O)cc1 535972092 CIDDWBKSMZNEKO-CVCYQNGTSA-N 447.560 5.066 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1Cl 536435263 ANLVYMMRBPBFLC-KNQAVFIVSA-N 435.955 5.093 30 20 IKED CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 537840893 JRSANIJWHQLYAY-BVZFJXPGSA-N 447.510 5.368 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 538345092 JKEUYRLJNURCGJ-REWPJTCUSA-N 436.483 5.248 30 20 IKED Cc1ccc(OCCCC(=O)Nc2ccc(CN[C@@H](C)c3cccc(C#N)c3)cc2)cc1 539498819 ZWXZOEAWBVMSOB-NRFANRHFSA-N 427.548 5.515 30 20 IKED COc1cc([C@@H](C)NC2CCN(Cc3ccc(C#N)cc3)CC2)ccc1OC1CCCC1 539499606 ITNBQWCOQJCOIO-HXUWFJFHSA-N 433.596 5.203 30 20 IKED Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 539892519 GIBHZAAOBKGCPD-UHFFFAOYSA-N 438.278 5.192 30 20 IKED C=CCC[C@@H](N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(C(F)(F)F)cc1 540151153 MXHZMWXBCOHWPO-AUUYWEPGSA-N 429.479 5.606 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)C2CC2)cc1 542350777 ZPCUAFFBDQWYQH-UHFFFAOYSA-N 428.467 5.146 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc([C@H]3CCCc4ccccc43)no2)CC1 546995690 LGVGMLMXTQXMOQ-IBGZPJMESA-N 441.491 5.041 30 20 IKED CO[C@H](C)c1nc(Cc2noc(-c3ccc(Oc4ccc(C#N)cc4C)cc3)n2)cs1 547237160 QGRPQQHQAQLCGF-OAHLLOKOSA-N 432.505 5.464 30 20 IKED C=CCOc1ccc(CNC(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)cc1 553051964 HWKUMRGUJFLKPP-UHFFFAOYSA-N 440.952 5.457 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](CCO)c1ccc(Cl)cc1 554188925 JWSHRXFJNQCVBW-XMMPIXPASA-N 449.938 5.344 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3cc(C#N)ccc3OC(F)F)c12 556473126 AGYNMAXEQLCMLF-UHFFFAOYSA-N 439.466 5.098 30 20 IKED FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1noc([C@H]2CC[C@H](C(F)(F)F)C2)n1 558386472 MCWUJIMKDDCKME-YUMQZZPRSA-N 449.273 5.538 30 20 IKED Cc1c(Cl)cccc1NC(=O)Cc1noc(-c2cn(CCCC#N)c3ccccc23)n1 561913015 MGJSUAINJUUOLU-UHFFFAOYSA-N 433.899 5.138 30 20 IKED COc1cc(CNC2(c3noc(C)n3)CCCCCC2)ccc1OCc1cccc(C#N)c1 564755075 WRSGFQWJWNPZSY-UHFFFAOYSA-N 446.551 5.177 30 20 IKED Cc1c(C#N)c(NC(=O)CCSCc2c(F)cccc2F)n(Cc2ccco2)c1C 577988596 XNPJXKZIBZQZFP-UHFFFAOYSA-N 429.492 5.158 30 20 IKED N#C[C@H](C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1nc2ccccc2s1 587988666 BDTDFRHPKHLXKZ-CYBMUJFWSA-N 429.448 5.929 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2cccc(C(F)(F)F)c2)CC1 589306227 PTLRPBUVTYALOK-CHWSQXEVSA-N 447.341 5.763 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC2(c3noc(C(F)F)n3)CCC2)cc1F 590121126 DPIAFFVKYKZBSC-UHFFFAOYSA-N 443.385 5.011 30 20 IKED CC(C)(C)c1csc(NC(=O)C(=O)N(Cc2cccs2)Cc2cccs2)c1C#N 590243832 LLBUJDOCZMFZSH-UHFFFAOYSA-N 443.619 5.208 30 20 IKED Cc1nc(SCC(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)c(C#N)c(C)c1C 603963938 IWUZGVRKRPGFQZ-UHFFFAOYSA-N 436.968 5.252 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@H](OCC(F)(F)F)C2)cc1 604176397 LUOYYLSCJJSHFV-SFHVURJKSA-N 434.483 5.034 30 20 IKED CN(C(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1)c1cccc(C#N)c1 604433878 OHQDLHJSMOKHLF-UHFFFAOYSA-N 447.420 5.101 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)cc1 604907873 IRRUETXBSHZHOX-UHFFFAOYSA-N 446.555 5.430 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)COCc1nc2ccccc2s1 609062074 VVPQVQDIGLSXMO-UHFFFAOYSA-N 443.528 5.211 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3c[nH]nc3-c3ccc(F)cc3)cc2F)c1 609114680 PBXGKASIBDGSGD-UHFFFAOYSA-N 430.414 5.058 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 609377108 OTOQVAWIGZZCLO-OAHLLOKOSA-N 440.956 5.603 30 20 IKED COc1cccc(OCCCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 609995123 DRCGMOSMAZLVHR-UHFFFAOYSA-N 432.545 5.058 30 20 IKED O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 610388215 LSSCOOSDVNTVEI-UHFFFAOYSA-N 428.235 5.520 30 20 IKED C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 611556518 QSCBTXXOHRKKKY-QFBILLFUSA-N 431.458 5.526 30 20 IKED N#CCCn1cc(CNc2ccn(-c3cccc(C(F)(F)F)c3)n2)c(-c2ccccc2)n1 611932134 UZAFYBAKTOHJQT-UHFFFAOYSA-N 436.441 5.280 30 20 IKED CCCc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)[nH]c(C)c1C(C)=O 613405268 VYCGOEZKEIXBAG-CQSZACIVSA-N 433.455 5.597 30 20 IKED CCCc1c(NC(=O)c2ccccc2SCc2ccco2)cnn1-c1cccc(C#N)c1 615290612 YEGGJGPJURYXSK-UHFFFAOYSA-N 442.544 5.834 30 20 IKED O=C(Nc1cccc(C#Cc2ccccc2)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618540576 TUANUYJDFLYLIC-ROUUACIJSA-N 440.387 5.681 30 20 IKED C=CCN(Cc1cccs1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 674514315 KNMPLRSBIFAVAW-UHFFFAOYSA-N 443.572 5.367 30 20 IKED CCN(CC)Cc1cc(C(C)=NNc2nc(C(F)(F)F)nc3ccccc23)ccc1O 725833050 SIOCBBGKTTWGNJ-UHFFFAOYSA-N 431.462 5.032 30 20 IKED CCCOc1ccc(CN(CCC)C(=S)Nc2ccc(C#N)c(Cl)c2)cc1OCC 726442260 WLPBRQTUPUAEJV-UHFFFAOYSA-N 446.016 6.008 30 20 IKED CCN(C[C@H](C)C#N)Cn1nc(-c2ccccc2OC)n(-c2ccc(Cl)cc2)c1=S 726963985 QDOZPNHVFBFBGZ-MRXNPFEDSA-N 441.988 5.171 30 20 IKED C=CCOc1ccc(/C=C(/Cl)c2nnc(C(=O)NCc3ccccc3)s2)cc1Cl 727264875 YQBMFRLOHOHPSV-SFQUDFHCSA-N 446.359 5.423 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 728390038 DWQPNBVFYGLIOG-DHIUTWEWSA-N 425.488 5.440 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1csc(-c2ccc(O)cc2)n1 728606740 NJKFXAACXVFMQB-UHFFFAOYSA-N 441.512 5.527 30 20 IKED COc1ccc(NC(=S)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1Cl 730954500 ANDGVJWOHRKCGH-UHFFFAOYSA-N 445.919 6.182 30 20 IKED Cc1nc(-c2ccccc2)ccc1C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 731068272 YGOFZUAAJUDYQD-KRWDZBQOSA-N 445.544 5.247 30 20 IKED C/C(=C/C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1Cl 731080410 MFMATCHWUKDVPD-KGAUPUERSA-N 428.941 5.319 30 20 IKED COc1cc(C)c(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1OC 731317648 CEWHTPDTKYAEKZ-VAWYXSNFSA-N 439.515 5.215 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccoc2COc2ccc(C=O)cc2)cc1 731607326 HJMCCNYXUKYOEE-VWLOTQADSA-N 436.467 5.579 30 20 IKED N#C[C@H]1C(CN(Cc2ccco2)c2ccc(Cl)cc2)=CC(=O)n2c1nc1ccccc12 731846145 VBZJHGMPTNLBGH-FQEVSTJZSA-N 428.879 5.177 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)ccc1OC 733640462 AAYTWONLIYBJKK-FUHWJXTLSA-N 445.972 5.066 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Cc3ccc(C(F)(F)F)cc3)n2)cc1 739160543 UDOHKUSTYZRZNX-LIRRHRJNSA-N 444.478 5.893 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)NC[C@H](O)c3cc(Cl)cc(Cl)c3)c2)s1 740065191 ZXGVTROGGAWVFX-IBGZPJMESA-N 446.359 5.126 30 20 IKED Cc1cc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)ccc1N1CCSCC1 740445425 XRNMSDGKVBANDG-UHFFFAOYSA-N 448.617 5.470 30 20 IKED Cc1ccc(C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)cc1NC(=O)OC(C)(C)C 742658282 YUJPNNANQJLBEU-GOSISDBHSA-N 449.429 5.235 30 20 IKED Cc1nc(-c2cccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2)cs1 744026318 VMUUNWUPJMSYRX-KRWDZBQOSA-N 443.500 5.394 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccc(F)cc2F)C2CCCC2)c1 745821947 VZWAMRUFYPJKAT-NRFANRHFSA-N 427.495 5.300 30 20 IKED COc1cc(NC(C)=O)ccc1C(=O)/C=C/c1c(C)nn(Cc2ccccc2Cl)c1C 747705631 PFWVNNZEUPFRGA-VAWYXSNFSA-N 437.927 5.065 30 20 IKED O=C(O)Cc1ccc(C(=O)/C=C\c2cnc(-c3ccc(Br)cc3)s2)cc1 751521471 GBXNAXFWNKZKLX-KTKRTIGZSA-N 428.307 5.096 30 20 IKED C#CC[C@H](NC(=O)N(C)Cc1ccc(OCc2ccccc2)c(OC)c1)c1ccccc1 757059379 VHJZSQMCMKCIJN-DEOSSOPVSA-N 428.532 5.180 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2cc(Cl)ccc2O)cs1)c1ccc(F)cc1F 757467619 HGRDPUFPPCETKW-DAXSKMNVSA-N 434.851 5.361 30 20 IKED C#CC[C@H](NC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1)c1ccccc1 757762402 PGKRXTBWEOOEJD-CTNGQTDRSA-N 434.927 5.044 30 20 IKED C#CC[C@@H](NC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1)c1ccccc1 757772557 LJLYHKHWNFTOES-HSZRJFAPSA-N 437.465 5.577 30 20 IKED COc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)sc1Br 758410186 ODEFGPAWWBDJOB-INIZCTEOSA-N 427.323 5.427 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(N2CCCc3ccccc32)cc1 769943765 ASEXECIJOYCMTF-QFIPXVFZSA-N 439.515 5.131 30 20 IKED CC(C)c1ccc(N2Cc3ccc(NCc4nnc(-c5ccc(C#N)cc5)o4)cc3C2)cc1 771683891 WCNWOQRQJGSXBS-UHFFFAOYSA-N 435.531 5.864 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NCc1ccc(OCC#N)cc1 772958832 IGJZMHIGHQTZPQ-AWEZNQCLSA-N 442.382 5.634 30 20 IKED N#CC(CCOC(=O)c1cnc(Oc2ccccc2)cn1)(c1ccccc1)c1ccccc1 773675650 NRCXMNYQALDOMA-UHFFFAOYSA-N 435.483 5.326 30 20 IKED C[C@@H](Cc1ccccc1)n1cccc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 773767259 APCGILMJQWYMCL-YJBOKZPZSA-N 440.330 5.560 30 20 IKED N#Cc1ccc(CN2CCC(Nc3ccc(OCc4ccccn4)c(Cl)c3)CC2)cc1 777657709 YZGRYVQTRVZWCE-UHFFFAOYSA-N 432.955 5.262 30 20 IKED N#CCC1CCN(Cn2nc(Nc3ccc(Oc4ccccc4)cc3)sc2=S)CC1 781571588 KQNIMDRUMKVAFG-UHFFFAOYSA-N 437.594 5.793 30 20 IKED Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)O[C@@H](C)C(=O)Nc1ccccc1C#N 787483228 OSOAOPLDJPQIDI-SFHVURJKSA-N 435.483 5.266 30 20 IKED CCc1ccc(N(C(C)=O)c2nc(COC(=O)C[C@@H](CC#N)c3ccccc3)cs2)cc1 795990148 LGJIIQLEMGEDKD-OAQYLSRUSA-N 447.560 5.521 30 20 IKED Cn1c([C@@H](C#N)C(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)nc2ccccc21 796709027 WKDIAMBAQYAUFF-ZDUSSCGKSA-N 436.487 5.129 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2c(Cl)ccc3c2OC(C)(C)C3)ccc1OC 797685895 ZDGGKXMRPHCXIJ-MRXNPFEDSA-N 443.931 5.065 30 20 IKED Cc1nc(-c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2)cs1 799602543 UNYZUNZUAXADKG-OAHLLOKOSA-N 430.316 5.387 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(Cl)ncc2Br)cc1 810115003 QHPXENJHDIEQOM-QGZVFWFLSA-N 426.701 5.405 30 20 IKED N#C[C@@H](C(=O)CCc1cc(C(F)(F)F)ccc1Br)c1nc2ccccc2o1 815915711 XAYFCMKGFGVLLV-ZDUSSCGKSA-N 437.215 5.418 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)cc1 837837900 IQVALIYTZKYRKD-PGRDOPGGSA-N 444.560 5.112 30 20 IKED CCOc1c(Br)cc(C(=O)N(O)Cc2cccc3ccccc23)cc1OC 901368117 UIFFOJMCNNWBGS-UHFFFAOYSA-N 430.298 5.041 30 20 IKED Cc1cc([C@@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccccc2C)c(C)s1 914691527 PQJGYCCAHMBRDR-QRWLVFNGSA-N 441.622 5.035 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)cc1 915085281 KDROCUSJTSKYKF-SANMLTNESA-N 443.510 5.387 30 20 IKED CCN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915351590 ADLWZKDLLVYKKO-PKTZIBPZSA-N 427.504 5.036 30 20 IKED CCOC(=O)c1ccc(NC(=S)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 916000234 CDUBBBZPILXWBY-UHFFFAOYSA-N 431.517 5.123 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(C)nc3ccccc3c2=O)c(C)c1 916292752 KABBQNGZFGMWEL-UHFFFAOYSA-N 433.515 5.057 30 20 IKED CCCC(=O)Nc1ccc(O)c(C(C)=NNc2ncnc3sc(-c4ccccc4)cc23)c1 916312198 NSRCFRCNXRLYCS-UHFFFAOYSA-N 445.548 5.639 30 20 IKED C[C@@H](Sc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916845913 VRBUKEUWXGPCLA-IAQYHMDHSA-N 443.981 5.286 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(COc2ccccc2)cc1 916901117 YXOHNMFONBTHKM-DEOSSOPVSA-N 426.516 5.352 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCSc1ccc(C)c(C)c1 916902776 JPIVUQJXGCKOFB-QGZVFWFLSA-N 430.957 5.104 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)/C=C\c1cc(C)n(C2CCCCC2)c1C 916921796 BPMUXGDODDPJNW-KSAKKHMLSA-N 433.552 5.370 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(COc3ccc(F)cc3)o2)cc1 916947502 LKGJYYCZWGITCZ-OPAMFIHVSA-N 434.467 5.472 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc([C@H](C)CC)cc2)cc1OC 916954675 JUSAUJRIEPPJID-DNVCBOLYSA-N 442.943 5.612 30 20 IKED O=C(C[C@H]1SC(=Nc2ccc(C(F)(F)F)cc2)NC1=O)Nc1cccc2ccccc12 917636819 USIIMZMRIRMBCF-GOSISDBHSA-N 443.450 5.107 30 20 IKED COc1cccc([C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 920111429 VWVJYRALJCRGNI-YVEFUNNKSA-N 431.344 6.105 30 20 IKED Cc1ccc([C@@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(Cl)cc2)s1 920171895 XGHXZNUDCFAALY-FZKQIMNGSA-N 448.013 5.071 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cccc(-n2nccc2-c2ccccc2)c1 920325399 ZHFGXDKLAVLCEA-QFIPXVFZSA-N 440.890 5.154 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(N2CCOC2=O)c1 920977536 ZVXMAUCCIULFGL-MHECFPHRSA-N 440.503 5.181 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 921284586 SOAXEBBRSXOESV-QGZVFWFLSA-N 428.517 5.232 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cccnc3SCC)cc2)CCC1 1785779757 FDYXNWOKRMQPAP-UHFFFAOYSA-N 445.535 5.153 30 20 IKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)CCC3CCC3)cc2)CCC1 1786260797 ZGNHYQCTDIJGCO-WYMLVPIESA-N 436.577 5.201 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)Cc3ccccc3C(F)(F)F)cc2)CCC1 1787752946 ZPINKENFUYVABJ-UHFFFAOYSA-N 442.481 5.186 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc4ccn(C)c34)CCC2)cc1 1791727541 WKJQVANCXRSAOB-UHFFFAOYSA-N 427.548 5.120 30 20 IKED C[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1)n1cccc1 1791789763 SKGNLGGOTXDZOY-QGZVFWFLSA-N 446.938 5.022 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc(OC)ccc3Cl)cc2)CCC1 1792082617 RQEOTRIBPZAQST-UHFFFAOYSA-N 444.984 5.016 30 20 IKED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1 1803608273 QBHSKOLTLGIPRV-PMVMPFDFSA-N 447.689 5.038 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccccc3o2)n[nH]1 1818630405 GMQSVVWLIIZXBO-AZUAARDMSA-N 432.524 5.230 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C)cc2OC)n[nH]1 1823160905 FQUONSYGYRBNFD-HXUWFJFHSA-N 438.572 5.025 30 20 IKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](S)C(C)C)CC1 1825947693 TWISZUPUAWNHBC-RBBKRZOGSA-N 448.673 5.073 30 20 IKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccccc23)CC1 1828006015 JWJMPRDSJWEYMQ-RPWUZVMVSA-N 438.637 5.028 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2scnc2C2CC2)CC1 1828822532 IOQZPHNPLHCQEU-RTWAWAEBSA-N 441.641 5.022 30 20 IKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1)C(F)(F)F 1831453498 AESPYEPXQUYYOB-HMXCVIKNSA-N 442.566 5.187 30 20 IKED C=CCn1c(SCC(=O)Nc2c(CC)cccc2CC)nc2cc(Cl)ccc2c1=O 9353431 VNAVCOHAHUBBAX-UHFFFAOYSA-N 441.984 5.092 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nnc1-c1ccc(C(C)(C)C)cc1 10409613 AZTQRTUXVKSEEJ-QGZVFWFLSA-N 445.592 5.420 30 20 IKED CCOc1cc(-c2nnc(SCc3ccccc3C#N)o2)cc(OCC)c1OCC 18282976 JPSSTLMJBVAPRB-UHFFFAOYSA-N 425.510 5.097 30 20 IKED Cc1ccc(C)c(-n2ccnc2SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c1 26047599 ALJMUZPQSBGTNW-IBGZPJMESA-N 444.585 5.581 30 20 IKED C=CCN(CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)Cc1ccccc1 27777484 JYWVCOWNXXDGRC-QFIPXVFZSA-N 441.575 5.147 30 20 IKED C[C@@H](NC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1)c1ccc(C#N)cc1 62502102 GQKHPZDBNABIQR-QGZVFWFLSA-N 445.394 5.234 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 62905409 FHFGNMALZKCKKQ-UHFFFAOYSA-N 434.499 5.412 30 20 IKED Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 97256308 OZICVRIOUBLRPM-UHFFFAOYSA-N 430.558 5.214 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1ccccc1C(F)(F)F 97543243 PUIGCELAKBUENZ-MRXNPFEDSA-N 439.437 5.595 30 20 IKED N#Cc1c(NC(=O)CSc2nnc(-c3ccccc3Cl)o2)sc2c1CCCCC2 97655246 PJNKTMBMWNXNAE-UHFFFAOYSA-N 444.969 5.323 30 20 IKED COc1ccc(CN[C@H](C)c2sc(-c3ccc(F)cc3)nc2C)cc1OCCCC#N 237349727 HBSYVEHWORCRQT-MRXNPFEDSA-N 439.556 5.800 30 20 IKED N#CCCCOc1cccc(CNC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 237672534 XMTUASQXUBJVIW-UHFFFAOYSA-N 432.395 5.430 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN(Cc2ccccc2C(F)(F)F)C2CC2)c1=S 302939406 HHVRMYNGZSJXRX-UHFFFAOYSA-N 445.514 5.303 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1 303314994 PYIQLNYFVKGVHZ-UHFFFAOYSA-N 432.907 5.691 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 303695950 QQLOXQOPHJGRQX-UHFFFAOYSA-N 442.359 5.094 30 20 IKED Cc1cc(C#N)ccc1C(=O)Nc1ccc(NC(=O)c2ccc(C#N)cc2C)c2cnccc12 429023181 DPJNIMNMEXLQEQ-UHFFFAOYSA-N 445.482 5.100 30 20 IKED CCCN(Cc1ccc(C#N)cc1)Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1 430063324 VYBWEQDIQKCSQV-UHFFFAOYSA-N 432.593 5.225 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)s1 430628254 VCQOXFYIVKPNGP-NSHDSACASA-N 447.347 5.820 30 20 IKED C[C@@H](c1cccc(Br)c1)N1CC(=O)N([C@H](CCCC#N)c2ccccc2)C1=O 432032800 NGLADIUYHMKNRF-OXJNMPFZSA-N 440.341 5.209 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CC[C@@H](c4cccc(Cl)c4)C3)c2)c1 432920439 ZJBNVELDWWDDBV-HXUWFJFHSA-N 444.922 5.485 30 20 IKED C=CCC[C@H](NC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1ccccc1 435610402 JFNPPECHYRCQDC-VVFBEHOQSA-N 432.589 5.965 30 20 IKED C[C@@H]1Sc2ccc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)cc2NC1=O 437485089 QCYQPUGRQLJLMW-ZDUSSCGKSA-N 433.464 5.175 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 438068491 CTLCNRKBDWIZDS-ROUUACIJSA-N 443.016 5.502 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccc(Cl)c(C(=O)NC)c1)c1ccc(C(F)(F)F)cc1 442202883 ZXCCMIKIGXZTCH-GOSISDBHSA-N 439.865 5.547 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2ccccn2)cc1OCc1csc(Br)c1 442650913 LZKYLDOYIVXPKC-MRXNPFEDSA-N 427.323 5.283 30 20 IKED Cn1c(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc2cc(C(F)(F)F)ccc21 442860162 KQUKSTSGZFADIH-OAHLLOKOSA-N 426.423 5.206 30 20 IKED CCO[C@@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1 445240604 UNABKSNHLUBOBJ-VWLOTQADSA-N 429.520 5.231 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)cc1 448009303 BWDQPSXPDAVNOB-FQEVSTJZSA-N 441.373 5.359 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n1 467824457 UMLQLKCUOSKPRA-HNNXBMFYSA-N 429.910 5.654 30 20 IKED N#Cc1c(NC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)sc2c1CCC2 471065977 MXKOSOLMVLCRTQ-UHFFFAOYSA-N 447.347 5.427 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 473756145 KMOFQYWNEWXJCP-UHFFFAOYSA-N 445.470 5.095 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(I)ccc1F 474693335 CCJGCXNBHNZPNJ-NSHDSACASA-N 440.281 5.077 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1 475558686 LHQYJNTWLNOACU-DEOSSOPVSA-N 447.623 5.845 30 20 IKED O=C(NCCCC(F)(F)F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 477111449 PWJIBKQRUSZKSL-MWENRILCSA-N 439.362 5.567 30 20 IKED Cc1c(Br)cccc1CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 479657994 GUTTVBFJVZJMBG-UHFFFAOYSA-N 449.348 5.584 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC2)cc1 481587990 VCPOMSLANHKHSE-UHFFFAOYSA-N 449.942 5.271 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccccc1)N[C@@H](c1c(F)cccc1F)C(F)(F)F 482408817 CVBFUPFRSAXQSS-ZFWWWQNUSA-N 426.307 5.561 30 20 IKED C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482448312 RGWXKXLMQDJMJF-QFYYESIMSA-N 438.343 5.572 30 20 IKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)[C@@H](C#N)c1cnc2ccccc2n1 483204423 TYLCLXYNTMEVGZ-NRFANRHFSA-N 448.482 5.457 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccccc2COC2CCOCC2)cc1F 487956339 HHEHYHJRBIYHNV-UHFFFAOYSA-N 446.478 5.438 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H](Oc2ncccc2F)C1 488382734 VOWYDPBYQHDRJW-NRFANRHFSA-N 446.482 5.268 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)c1C#N 488695732 FCAPJRJOLKEKKH-MRXNPFEDSA-N 444.560 5.018 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 500999746 OASBOIHFUZCZCH-RUZDIDTESA-N 449.510 5.246 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccc(F)cc1 501215663 DTOLFSSSFBBZDZ-ZDUSSCGKSA-N 441.919 5.827 30 20 IKED Cc1ccc(C[C@H]2CCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 502655821 SQTQJSRQCWMDCH-RUZDIDTESA-N 438.531 5.358 30 20 IKED CCc1c(C(F)(F)F)noc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 505900025 CKKFOHIBEIDZSL-UHFFFAOYSA-N 435.789 5.825 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1c1cccc(Br)c1 507790578 YEIXZSVKVAEPBJ-LJQANCHMSA-N 428.330 5.477 30 20 IKED COc1cc(CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)ccc1OCC(F)(F)F 507819731 SWAINAJMBNKUOB-HNNXBMFYSA-N 425.344 5.559 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 507907183 FLPQGNQQXCOTNW-UHFFFAOYSA-N 439.496 5.917 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cnc2ccccc2c1 509075757 SGTDZQHLYZGLSE-UHFFFAOYSA-N 437.468 5.060 30 20 IKED CC(C)(CCC#N)CNC(=O)C(=O)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1 510941520 PGVYKPNLHSOWNY-UHFFFAOYSA-N 434.323 5.170 30 20 IKED C=CCOc1cccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)c1 510987354 YTGXOKUJSQHPRE-AREMUKBSSA-N 444.531 5.448 30 20 IKED C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1ccc(OCc2cccnc2)cc1 514501182 YHRGPJFGEMZFDS-HXUWFJFHSA-N 433.511 5.690 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(CNC(=O)c2cccs2)cc1 515699149 NFLWQCBRXHPHDH-UHFFFAOYSA-N 443.553 5.531 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2oc3ccccc3c2COc2ccccc2)n1 516351873 FOAFGUINWJKMNW-QGZVFWFLSA-N 446.484 5.135 30 20 IKED Cc1ccc(N(C(=O)[C@H](C)Oc2ccccc2C#N)c2nc3ccccc3s2)c(C)c1 518822333 KOWIXTLPUPUFRM-SFHVURJKSA-N 427.529 5.917 30 20 IKED C[C@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 520006304 YOEXESUINOALPS-QGZVFWFLSA-N 439.471 5.255 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccccc3CN3CCCC3)cc2)c1 520939195 NDFIOUYKINRRKT-UHFFFAOYSA-N 426.520 5.268 30 20 IKED Cc1cc(Cl)ccc1O[C@@H](C(=O)Nc1nc(C)c(SCC#N)s1)c1ccccc1 521245478 WLCMXZQZMJUODB-GOSISDBHSA-N 443.981 5.788 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)Nc1ccccc1SC[C@H](C)C#N 521747896 DAMJSSVHYASSTE-NVXWUHKLSA-N 436.606 6.253 30 20 IKED CC(=O)c1sc(NC(=O)c2occc2COc2cccc(C#N)c2)nc1-c1ccccc1 523228117 IEPASOXERAUONJ-UHFFFAOYSA-N 443.484 5.309 30 20 IKED COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 524391925 JZUDGOQDTGIMSU-KRWDZBQOSA-N 446.528 5.043 30 20 IKED CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1ccc(COc2ccccc2C#N)o1 525013922 AFUOLKUHFZINHD-UHFFFAOYSA-N 437.499 5.455 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H]3Cn3cnc4ccccc43)c2)cc1 533765466 CSHHBHFBIJTUHE-OAQYLSRUSA-N 437.503 5.397 30 20 IKED Cn1cc(Nc2cccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)c2)cn1 536381875 HVVVHJKOCJDORE-UHFFFAOYSA-N 441.466 5.006 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)c3ccc(Br)cc3C(F)(F)F)c2C#N)C1 539551813 BDFNBJAPNRRSJH-SECBINFHSA-N 443.288 5.778 30 20 IKED N#C[C@H](C(=O)c1cc(Br)cc(Br)c1)c1ccc(C(F)(F)F)cn1 540245617 ZGRRVYAHIDXWEX-LBPRGKRZSA-N 448.036 5.115 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(F)cc1OCC(F)F 540269628 QSLQVBSYDDTBCU-UHFFFAOYSA-N 428.435 5.745 30 20 IKED C[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(-c2cccc(C#N)c2)cc1 541086875 RKMXTZBDSKVJRX-MRXNPFEDSA-N 425.448 5.034 30 20 IKED CC(=O)N1CCc2c(sc3nc(-c4ccoc4C)c(C#N)c(-c4ccc(C)cc4)c23)C1 542515696 WAGFYLAKDZINHK-UHFFFAOYSA-N 427.529 5.616 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 542952075 OXQUXAVMZISFHB-UXHICEINSA-N 439.437 5.581 30 20 IKED CC(=O)c1ccc(C#N)c(N2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)c1 543436091 GAQMUVNJOIQPTM-UHFFFAOYSA-N 428.467 5.107 30 20 IKED O=C(CC1CCOCC1)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 544016570 HVJBECFXHWFZHB-AWEZNQCLSA-N 437.302 5.261 30 20 IKED N#Cc1ccccc1COc1cccc(-c2nc(-c3ccccc3NC(=O)C3CC3)no2)c1 544989796 YOQAUGUUCMEFSZ-UHFFFAOYSA-N 436.471 5.203 30 20 IKED C[C@H](NC(=O)N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)c1ccc(C#N)cc1 548183341 XNFSBZRPSOFJPZ-MEDUHNTESA-N 431.336 5.121 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C)[C@H]1OCCc2sccc21 550226295 FTEVDQPBPGELLS-BXKMTCNYSA-N 432.545 5.396 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1nc2ccccc2n1C(F)F 556325453 NOGVLSJQSKLKTQ-INIZCTEOSA-N 446.571 5.091 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)CCc3cccc(OC4CCCC4)c3)CC2)c(F)c1 557123941 DMQKVYSJVIZCQU-UHFFFAOYSA-N 436.527 5.021 30 20 IKED C=CCn1c(S[C@H](c2ccc(Cl)cc2)C2CCOCC2)nnc1-c1ccoc1C 559196099 VWUZVJFIWQGZJF-HXUWFJFHSA-N 429.973 5.946 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Sc2ncccn2)cc1C 562135213 TVTQRUUGXBRBLD-UHFFFAOYSA-N 436.585 5.324 30 20 IKED Cc1c(C(=O)N2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)ccc(C(F)(F)F)c1F 563998994 NQRZGSKQGRGEKP-LBPRGKRZSA-N 439.331 5.008 30 20 IKED CCOc1ccc(Oc2ccccc2NC(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1 565316298 KMUHATDSVRLMQH-UHFFFAOYSA-N 442.519 5.362 30 20 IKED N#Cc1ccc(N2CCC(N[C@@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)CC2)cc1 581899966 ZWMQTXLSCRHTJF-FQEVSTJZSA-N 441.419 5.829 30 20 IKED COc1cccc(CCC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1OC 603532360 CVDLSYOWUHUCEZ-UHFFFAOYSA-N 432.495 5.189 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H](c4nc5ccccc5o4)C3)s2)cc1 603648693 KGZYDYWKXHRUBF-GOSISDBHSA-N 443.532 5.158 30 20 IKED CCC(=O)Nc1cccc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 603809336 LAOHTVGRIWEXRH-UHFFFAOYSA-N 442.519 5.002 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)o1 603952411 VKMZDGSSPHLYNB-QHCPKHFHSA-N 446.553 5.641 30 20 IKED CCOC(=O)CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1F 604014381 AFPUXWQWGNKIFR-UHFFFAOYSA-N 437.311 5.073 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3cc4ccccc4nc3O)cc2Cl)cc1 604193486 MWFHKVHTNQIYTC-UHFFFAOYSA-N 429.863 5.439 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(CCc3ccccc3)Cc3cccnc3)cn2)c1 604230533 ITSYIGAVVCBNMD-UHFFFAOYSA-N 449.514 5.417 30 20 IKED N#C[C@H](C(=O)c1cccc(OCC(F)(F)F)n1)c1nc2cc(C(F)(F)F)ccc2s1 607008866 ANWMUWBXDQUQQB-SNVBAGLBSA-N 445.344 5.141 30 20 IKED Cc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OCC(F)F 608855371 CZEGWITWXWSQBO-UHFFFAOYSA-N 438.499 6.055 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)c1cccc(Br)c1 608920376 NGNQKXYFGKLUOX-UHFFFAOYSA-N 428.374 5.219 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCOc4ccccc4C3)cc2Cl)c1 609079636 DTMZCNCUJWTNFZ-UHFFFAOYSA-N 433.895 5.217 30 20 IKED C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)Nc1ccccc1Cc1ccccc1 609387089 KRPZJEAILYKSSL-UXHICEINSA-N 429.589 5.968 30 20 IKED COc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc(OC)c1Br 609427762 JJOGDTALQBTGIZ-LBPRGKRZSA-N 435.343 5.113 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NCc3cc(Br)cs3)cc2)cc1 609500812 CFTHZEFNOBTHFE-UHFFFAOYSA-N 427.323 5.299 30 20 IKED Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 609502633 RNUFIDRAMCPMHT-XMMPIXPASA-N 449.514 5.429 30 20 IKED CCN(C(=O)c1cc2ccccc2n1CC#N)[C@@H](c1ccc(Cl)cc1)c1ccccn1 609580156 VHPDIQOZICJHDO-DEOSSOPVSA-N 428.923 5.465 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 609724339 QSCFUAORZXNWSF-UHFFFAOYSA-N 439.805 5.729 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(-c3cc(O)n[nH]3)cc2)c1 609742672 OBXNOAGIZGTVQI-UHFFFAOYSA-N 430.851 5.352 30 20 IKED CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 609928138 KJWSNRIOWWSBBR-IVZQSRNASA-N 436.899 5.297 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)c2)cc1 609985796 LFNHZGCWGJJWQJ-UHFFFAOYSA-N 448.530 5.539 30 20 IKED Cc1cccc2c(CCC(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c[nH]c12 610174804 DLTAJPRZPWKTHY-UHFFFAOYSA-N 431.483 6.072 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1 610683143 SREDAEGCFSMHQN-NRFANRHFSA-N 437.499 5.820 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612805122 KRDJZFUALNFLFA-GHMZBOCLSA-N 448.860 6.009 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1Br 613319028 MRAFLGCAGVKFCE-CQSZACIVSA-N 447.741 5.725 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C)n1CC(F)(F)F 613404017 IWUZGNULQHXMNY-CYBMUJFWSA-N 445.388 5.786 30 20 IKED Cc1nc2cc(F)cc(C(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2nc1C 613624056 LPGVFWQGGPYNTK-GHMZBOCLSA-N 437.359 5.025 30 20 IKED O=C(c1cccnc1Nc1ccccc1F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618365773 MZTWNHQFRHKERS-TXEJJXNPSA-N 435.343 5.167 30 20 IKED CC(C)(C#N)c1ccc(CN[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)cc1 619516694 RMGHSWRWYFAMBI-SFHVURJKSA-N 441.291 5.092 30 20 IKED C=CCN(C(=O)c1ccc(COc2ccccc2OC)o1)c1nc(-c2ccccc2)cs1 643111364 SJKWLCSBZRZUIT-UHFFFAOYSA-N 446.528 5.824 30 20 IKED C=CCn1c(SCCC(=O)Nc2ccccc2SC)nnc1-c1ccc(F)cc1 644506924 LMPGGCLSWMYHJD-UHFFFAOYSA-N 428.558 5.113 30 20 IKED Fc1cccc(F)c1-c1csc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)n1 681399507 AUPSUHXFFNKSIR-UWVGGRQHSA-N 430.364 5.651 30 20 IKED O=C(N[C@H](C1CCCCC1)C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 681495056 FSPCUHTXHCLETG-GRYCIOLGSA-N 428.339 5.270 30 20 IKED C=CCC[C@H](NC(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1)c1ccccc1 685791310 PBYWKOMPUOEQRQ-QFIPXVFZSA-N 447.604 5.013 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cccc(OCc2ccc(Cl)cc2)c1 729068739 BLTQUEZJQJUHHF-OAQYLSRUSA-N 448.906 5.279 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)O[C@H](c1cc(Br)ccc1F)C(F)(F)F 730405822 NIHWEGPOEWETOF-MGPLVRAMSA-N 446.194 5.074 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(-c3ccccc3)cc2C)ccc1OC 733621265 IPEILBLPSWXJSI-JOCHJYFZSA-N 429.520 5.673 30 20 IKED CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C1CCN(Cc2ccccc2)CC1 733621386 KAQUUFOURYUPLW-MHZLTWQESA-N 438.575 5.470 30 20 IKED C[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 733903177 NQAGJBZNAVGEOT-CYBMUJFWSA-N 438.896 5.301 30 20 IKED O=C1/C(=C\c2nccn2Cc2ccccc2)COc2c(Br)cc(Cl)cc21 734095692 QWUYENDFVIITBX-ZSOIEALJSA-N 429.701 5.006 30 20 IKED CSCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1 735970032 SPUPCZIMUJYFCJ-GOSISDBHSA-N 448.013 5.053 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1nc(-c2ccccc2F)oc1C 737542561 LCVRAYQQNDQGKM-UHFFFAOYSA-N 441.462 5.801 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=S)Nc1ccc(C#N)c(Cl)c1 741168626 PTLLWRFKTUCVQG-UHFFFAOYSA-N 449.942 6.022 30 20 IKED COc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)sc(C)c1Br 742536649 BXATVPKWDIQMQA-QGZVFWFLSA-N 441.350 5.735 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 743146707 MNDSLKSXCIFBQF-FGTMMUONSA-N 446.617 5.286 30 20 IKED O=C(O)CCOc1cccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)c1 746683948 SCVFGGGACXPQIF-CAPFRKAQSA-N 429.497 5.573 30 20 IKED CC[C@H](C)Oc1cc(C=Nn2c(C)nc3sc4c(c3c2=O)CCCCC4)ccc1OC 749443564 HGNIODLPSSDNCT-HNNXBMFYSA-N 439.581 5.103 30 20 IKED N#CCCN(CC(F)(F)F)C(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12 754328759 VOYYEKUWYUVFIM-UHFFFAOYSA-N 440.450 5.430 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C2CC2)[C@@H](C)c2cccc(C(F)(F)F)c2)c1 754922251 XBPHYZYFAUGCJT-KKSFZXQISA-N 445.485 5.822 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)cc1 756962944 JYQSWNKJBMGNAJ-RBBKRZOGSA-N 432.545 5.449 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(Cl)nc2)ccc1OCC(=O)N(C(C)C)C(C)C 759084092 WUPRLDAXKPTMHX-YFHOEESVSA-N 444.959 5.054 30 20 IKED N#C[C@@H](C(=O)/C=C\c1ccc2ccc(Cl)cc2n1)C(=O)Nc1ccc(F)c(Cl)c1 759209171 NVOMATBGJJWAAO-IOBAAEILSA-N 428.250 5.041 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C[C@H](C)c1ccc(Br)cc1 769947411 ZQDZBDJAABWRAV-MGPUTAFESA-N 441.369 5.415 30 20 IKED COc1ccc(CN(C)C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1F 775983064 HHLPJAHXYSJQIZ-INIZCTEOSA-N 438.343 5.298 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)Cc2ccccc2CC#N)c(C(F)(F)F)c1 776898311 SYXOJFAVQZWIQY-UHFFFAOYSA-N 433.430 5.300 30 20 IKED FC(F)(F)c1cc(Cl)cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)c1 780201107 HHILKAGADYDUAL-UHFFFAOYSA-N 431.270 5.778 30 20 IKED COc1cc(NN=Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)ccc1Cl 788472628 XZLBGYJQJVYOPO-UHFFFAOYSA-N 435.336 5.589 30 20 IKED Cc1csc([C@@H](C#N)C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)n1 789391666 CJWOGVILLNMYFB-FDFHNCONSA-N 435.980 5.197 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2ccc(Br)cc2C(F)(F)F)c1 790671024 FODJCDJYQAQGBV-CZUORRHYSA-N 441.291 6.000 30 20 IKED C[C@@H](OC(=O)c1cc(-c2cccc(C#N)c2)no1)c1nc2cc(C(F)(F)F)ccc2n1C 790965042 AYNGXZQCGWRCIZ-GFCCVEGCSA-N 440.381 5.037 30 20 IKED C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 800777121 SPTDPUHMWADNIA-HSZRJFAPSA-N 447.970 5.216 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccnc(O)c2)ccc1OCc1c(F)cccc1Cl 806555689 HMWQXYABXMCIFQ-SOFGYWHQSA-N 427.859 5.454 30 20 IKED Cc1nn(C)c2sc(C(=O)/C=C/c3cccc(NC(=O)c4ccccc4Cl)c3)cc12 806578807 LFZSKAICSGVCKN-ZHACJKMWSA-N 435.936 5.745 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1 811895932 DRGDHLGEMDMPIE-AWEZNQCLSA-N 431.583 5.623 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1cc(C(F)(F)F)ccn1 813212168 YXJJLUPZWOEBNV-IBGZPJMESA-N 432.405 5.443 30 20 IKED CC(C)(C)OC(=O)N[C@H](CCCC#N)c1nc(-c2cccc(Oc3ccccc3)c2)no1 904588827 AFGWZLZOYIDPNV-HXUWFJFHSA-N 434.496 5.789 30 20 IKED Cc1noc(C)c1COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1 915102481 URPQKRWQGLTSNM-OAQYLSRUSA-N 443.528 5.413 30 20 IKED Cc1csc(SCc2c(C(=O)[C@@H](C#N)c3nc4ccccc4o3)oc3ccccc23)n1 915104522 GGKVLEUFKCSGSC-OAHLLOKOSA-N 445.525 6.121 30 20 IKED Cc1ccc(NC(=O)[C@H](Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2ccccc2)cc1 915224460 NONGHTRZVFILTQ-WUFINQPMSA-N 431.539 6.442 30 20 IKED C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=S)Nc1ccccc1C#N 915997003 QCTXQLSGPOXCQN-INIZCTEOSA-N 426.010 6.103 30 20 IKED CCOc1ccc(NC(=O)COc2ccc(/C=C\C(=O)c3cccs3)cc2OC)cc1 916136559 RIDVPUZVCBETFR-SDQBBNPISA-N 437.517 5.069 30 20 IKED N#C[C@H](C(=O)Cc1ccc(-c2ccccc2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 916653341 MJYYNXNXYDAHNI-HXUWFJFHSA-N 439.540 5.362 30 20 IKED Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916846743 DIDKMPQXENGYBI-CRAIPNDOSA-N 449.576 5.351 30 20 IKED CCCOc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1OCCC 916927720 BZMHXHVWXDNRNN-INIZCTEOSA-N 449.334 5.532 30 20 IKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 916933840 JNHXNZKNRKAZHC-OAHLLOKOSA-N 445.327 5.692 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2F)o1)c1nc2cc(Cl)ccc2s1 917043380 HZOUMHUDYMFPSI-AWEZNQCLSA-N 425.872 5.553 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(C=NNc2ncnc3sc(C)c(C)c23)cs1 917535424 DJMVBZIEGPFIBD-UHFFFAOYSA-N 440.529 5.034 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 918492564 VFMGSUAFOPWVEF-MGPUTAFESA-N 443.450 5.467 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)cc1 918566666 XVFCPFVQXYEFAG-KMDXXIMOSA-N 449.579 6.640 30 20 IKED O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 919653411 WPJGHKJUQXPBFW-GHMZBOCLSA-N 445.354 5.160 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccoc4)cc3)CCC2)c1 1786749623 ATROCIWLOMCMMB-NJGYHNCTSA-N 439.515 5.368 30 20 IKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4cc5sccc5s4)cc3)CCC2)c1 1789257372 XTFALGNYCZQTNI-UHFFFAOYSA-N 446.557 5.224 30 20 IKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@]4(C)C[C@H]4C)cc3)CCC2)cc1C#N 1790425169 DADRIIHQDJRNHD-DWXRJYCRSA-N 445.563 5.139 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(C)c3Cl)cc2)CCC1 1792110199 KURJERFYLIVMMV-KRWDZBQOSA-N 441.959 5.197 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc(F)c(F)c(Cl)c3)cc2)CCC1 1792161454 LDCCIFRVMVVOKW-UHFFFAOYSA-N 430.882 5.169 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(Cl)cc1C 1800788892 HWTGOUCVNFROGF-MHORFTMASA-N 435.395 5.322 30 20 IKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)/C(C)=C/c2cccs2)[C@H]1c1cccnc1 1803080878 FSIYFVFMOHCADJ-PPIOEHGWSA-N 449.620 5.021 30 20 IKED CC(C)[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1803685163 WDBSDPCVQGKKKM-YEPLINDWSA-N 435.612 5.028 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](CC)CC2)[nH]n1 1819310062 OUODALGQHHKVPS-NXLVEIQXSA-N 426.605 5.387 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(OC)cc1)=C(/S)Nc1cccc(Cl)c1 10831601 IMBAMFYXTWOZOJ-UHFFFAOYSA-O 425.961 5.249 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(C)cc2C)cc1 22729508 ZXZITOJGCHFWES-UHFFFAOYSA-O 425.524 5.482 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(F)ccc1F)=C(/S)Nc1cc(C)cc(C)c1 22730214 MSZKEGJSNWOHRO-UHFFFAOYSA-O 425.524 5.482 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 23604678 NAHHFBHJZJLPAI-UHFFFAOYSA-O 441.020 5.803 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C(=O)Nc1ccccc1Cl)C(C)C 32785244 XRGKVFPVHPNGHC-OAQYLSRUSA-N 441.000 5.464 30 20 IKED C=CCn1c(SCc2csc(-c3ccc(Br)cc3)n2)nnc1C1CC1 39968190 ZEHACIIYBNWEHS-UHFFFAOYSA-N 433.400 5.520 30 20 IKED N#Cc1c(NC(=O)CCSc2nnc(-c3c[nH]c4ccccc34)o2)sc2c1CCCC2 45699568 AZBGFOJKPIMLEN-UHFFFAOYSA-N 449.561 5.151 30 20 IKED CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)c1ccccc1-c1ccccc1C#N 60635242 XYMZEXPHXIGLGT-UHFFFAOYSA-N 434.543 5.331 30 20 IKED Cc1nc(-c2cccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)c2)n[nH]1 64300912 XEFROGSMLQSHJP-UHFFFAOYSA-N 425.517 5.196 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCCN(c3ccccc3)CC2)cc1 195574753 MTSGBOFOJBJLMO-UHFFFAOYSA-N 427.573 5.203 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)cc1 303411168 ADWHZHAYSUZUGC-SFTDATJTSA-N 428.454 5.262 30 20 IKED COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)Nc2ccccc2C#N)cc1 409722748 PXJXTXXROOEBQB-KNTRCKAVSA-N 431.495 5.854 30 20 IKED Cc1ccccc1-n1ncc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c1C(F)(F)F 430613282 VCSGNSKOAUWSLE-CYBMUJFWSA-N 432.471 5.444 30 20 IKED Cc1ccc(-n2ncc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)c2C(F)(F)F)cc1 430636780 ZPIIRBVZQSKDNS-AWEZNQCLSA-N 432.471 5.444 30 20 IKED COc1ccccc1[C@]1(C)C[C@H]1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 437967108 YNXJSPRCKWZLIH-VPUSJEBWSA-N 441.531 5.306 30 20 IKED COc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cn2)cc1 438419904 QNBQGAVXAJFUFS-GOTSBHOMSA-N 428.492 5.186 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)cc1F 438667980 WEONUBOANJRORH-HSZRJFAPSA-N 435.430 5.234 30 20 IKED N#CCC[C@H](NC(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1)c1ccccc1 438854865 XSHSZDPIFIYIHZ-NRFANRHFSA-N 446.378 5.386 30 20 IKED N#CCC[C@H](NC(=O)Nc1cc(I)ccc1Cl)c1ccccc1 439471295 FZOKSVAPZWLDPK-HNNXBMFYSA-N 439.684 5.111 30 20 IKED Cc1cc(NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)ccc1OC(C)C 441524413 OJDJGFIJHXEFJX-UHFFFAOYSA-N 429.476 5.023 30 20 IKED C=CCC[C@@H](NC(=O)c1ccc(CSc2nc[nH]n2)cc1)c1ccc(C(F)(F)F)cc1 441537493 BFIVVPWYEWDCRT-LJQANCHMSA-N 446.498 5.553 30 20 IKED C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 442053304 IFJQZPDOZFATPP-SFHVURJKSA-N 443.572 5.918 30 20 IKED CCC[C@]1(C)CCCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)C1 442624346 QRMBRXXGOZUKJO-HXUWFJFHSA-N 441.519 5.078 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(-c4noc(C5CC5)n4)c3)n2)cc1 442681813 SGZRMJGGHCLFIK-LJQANCHMSA-N 426.501 5.536 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)c2ccccc21 444150404 XHZPYYBPKHPUHT-UHFFFAOYSA-N 448.526 5.400 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N(C)[C@@H](C)c1cnn(C)c1 460564356 MFCDSPHLGBCKJY-OALUTQOASA-N 430.556 5.078 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(Oc3ccccn3)c2)cc1C 464896124 CPVNNLAMIIRMOB-UHFFFAOYSA-N 437.503 5.520 30 20 IKED CC(C)n1cc(C#N)c(NC(=O)c2oc3ccccc3c2CSc2ccccc2F)n1 468929323 IGEMPPCIKVVVHJ-UHFFFAOYSA-N 434.496 5.766 30 20 IKED CCC(C)(C)N(CCC#N)C(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C 471171512 YSUPFKZFGKOBJB-UHFFFAOYSA-N 437.613 5.902 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(Cc3ccccc3)[C@H](C)c3cccs3)C2)n1 471297600 KTUGLOKJPOKACC-OFNKIYASSA-N 444.604 5.330 30 20 IKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3)n2C)nnc1-c1ccccc1C 472183028 YUDRGLDYUIGRCZ-UHFFFAOYSA-N 436.972 5.181 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C 476081890 ALEFFHWQISOJJC-UHFFFAOYSA-N 430.596 6.476 30 20 IKED CCN(C[C@H]1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1)CC(F)(F)F 477703343 PIPJCEVESMWKFR-QGZVFWFLSA-N 447.526 5.056 30 20 IKED C=CCn1c(S[C@@H](C(=O)OCC)c2cccc(Cl)c2)nnc1-c1ccccc1OC 478528507 JSPAIKYZRBZXPQ-LJQANCHMSA-N 443.956 5.190 30 20 IKED Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(Sc2ccccc2C#N)cc1 479503091 MZBRSLNVPGLTEE-UHFFFAOYSA-N 429.545 5.037 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@]3(C2)OCc2ccccc23)cc1 480801913 FKKXGRCRUAISGP-AREMUKBSSA-N 425.488 5.404 30 20 IKED C=C(C)[C@@H](NC(=O)Nc1cc(OC)c(OC)cc1Br)c1ccc(F)c(F)c1 480846003 ZVAVIUPHAKZZOF-GOSISDBHSA-N 441.272 5.183 30 20 IKED C=CCn1c(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)nnc1-c1cccs1 481399785 INEHEJNGOJDVAG-UHFFFAOYSA-N 449.483 5.554 30 20 IKED CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccc(F)c(C#N)c1 481619653 DLENQWLFPLJIDO-UHFFFAOYSA-N 425.467 5.214 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C[C@@H](c1ccccc1)C(F)(F)F 482842696 RJRSZHIZKWMZTE-IBGZPJMESA-N 425.410 5.729 30 20 IKED CC1(C)CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC[C@@H]1C(F)(F)F 484182672 XXMJJRPGPBFDDB-NRFANRHFSA-N 445.485 5.774 30 20 IKED COc1cc(CN[C@H](c2ccc(F)cc2)C(F)(F)F)ccc1OCc1cccc(C#N)c1 484897179 WNPMLNIKMOIUIG-HSZRJFAPSA-N 444.428 5.678 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1SCc1nc(-c2cccc(C(F)(F)F)c2)no1 488755687 UDQAMRRJRROKLF-UHFFFAOYSA-N 430.333 5.333 30 20 IKED C=C(C)Cn1c(SCc2cccc(C(=O)Nc3ccccc3)c2)nnc1-c1ccncc1 489435840 XUXWAYLGQDIJPZ-UHFFFAOYSA-N 441.560 5.461 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3[C@H](C)CC)o2)cc1 489788256 PNXTWNMCAUDDEC-IAGOWNOFSA-N 437.565 5.934 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H](c1c[nH]c2ccccc12)C(F)(F)F 490784297 NNYWLADVAICZSD-JRGCBEDISA-N 426.442 5.253 30 20 IKED C=CCN(CCc1ccco1)C(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1 490815640 RUXHWTGRCPYKRO-UHFFFAOYSA-N 433.508 5.193 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H]3C[C@H](c4ccccc4Cl)C3)cc2)c1 492282268 QBTOJYULWQKVDD-UAPYVXQJSA-N 445.906 5.005 30 20 IKED C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@@H]1OCCc2sccc21 494940732 UBSPNVIRZUZTAM-XDHUDOTRSA-N 447.560 5.217 30 20 IKED CCc1c(Br)cc(C(=O)[C@H](C#N)c2nc(C)cs2)cc1Br 501323060 KXLLPKOMLOHNTC-NSHDSACASA-N 428.149 5.029 30 20 IKED C[C@H](NC(=O)N1CCC(F)(c2cccnc2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 501871874 MZTUTDKINDWWRW-IBGZPJMESA-N 428.511 5.352 30 20 IKED CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 503152527 OKVRLCDMNPUWCH-OAQYLSRUSA-N 449.429 5.093 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 503188416 AIAZNXPIYXGRJW-UHFFFAOYSA-N 427.464 5.302 30 20 IKED N#C[C@@H](NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1c(Cl)cccc1Cl 505540603 PWHMSZWZRHOTAG-OAHLLOKOSA-N 441.274 5.103 30 20 IKED C=CCN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1)c1nc(-c2ccccc2)cs1 505862335 JQCXKABCSVRFEB-JOCHJYFZSA-N 445.588 5.190 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 505922577 JFFXXJKGFBOIMW-AWEZNQCLSA-N 434.304 5.203 30 20 IKED CC1(C#N)CCN(CC(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)CC1 506051738 NMOAMEXNGBGSDN-UHFFFAOYSA-N 444.398 5.164 30 20 IKED C=CCn1c(SCc2cccc(C(N)=O)c2)nc2sc(-c3ccccc3)c(C)c2c1=O 506550841 SUSHWFCSYIUNSK-UHFFFAOYSA-N 447.585 5.011 30 20 IKED C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C(=O)c2ccccc2)CC1 508839351 DTXRWJSMNFZWFO-OAQYLSRUSA-N 444.579 5.320 30 20 IKED C[C@H]1C[C@H](CCNC(=O)Nc2ccccc2SC[C@H](C)C#N)CN1Cc1ccccc1 510893297 AOGPFYCIGSVDOF-URVUXULASA-N 436.625 5.361 30 20 IKED CC[C@H](NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1nc(C(F)(F)F)cs1 510937702 PIFICUKYDNYBGW-RYUDHWBXSA-N 443.388 5.745 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2CCc2ccccc2)cc1 511356928 XRWLGRJCMSTFKB-VWLOTQADSA-N 439.559 5.961 30 20 IKED CCN(CC)C(=O)c1ccc(C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1 511538384 BLFRHGJVPCGKOU-UHFFFAOYSA-N 443.522 5.335 30 20 IKED CC(C)n1c([C@H]2CCCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)C2)nc2ccccc21 512693591 OBWITOGJBDOXRV-IBGZPJMESA-N 430.527 5.066 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)c1 513474190 FACMUDGVDCTZPY-RSXGOPAZSA-N 426.516 5.035 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1nc(-c2ccccc2)cs1 513647700 LMZCGOUBKCOHJB-SFHVURJKSA-N 438.434 5.505 30 20 IKED CN(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 518371260 OZDRHBORWWHWPC-UHFFFAOYSA-N 433.895 5.152 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)CCCCOc1cccc(C#N)c1 518910512 GJYWCMZPVMPHJY-UHFFFAOYSA-N 445.332 5.224 30 20 IKED Cc1nccn1-c1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1F 519053019 UEZRAGBVMNKRSR-UHFFFAOYSA-N 441.466 5.306 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 521552751 XQYRQTXWQLTARC-UHFFFAOYSA-N 442.450 5.102 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 521800070 GDOQQQFECGJCFK-NSHDSACASA-N 434.892 5.554 30 20 IKED CCCOc1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc2ccccc12 522293945 PSJFAZAQALBHEG-HXUWFJFHSA-N 438.512 5.509 30 20 IKED CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 523311355 KZHGESUKRGRBIA-IFMALSPDSA-N 437.971 5.361 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 523909337 QPVROUOQCHUPMZ-JGCGQSQUSA-N 445.588 5.451 30 20 IKED N#Cc1ccccc1NC(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2 524466639 SPCQFQZKERLOEJ-UHFFFAOYSA-N 430.817 5.157 30 20 IKED C=C[C@H](CC(=O)Nc1cccc(NC(=O)COc2ccccc2OC)c1)c1ccccc1 535350571 NTBSOJOUZSFLFK-LJQANCHMSA-N 430.504 5.011 30 20 IKED CCC(=O)Nc1ccc(Cl)c(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1 536918330 WDECCUXPXRMQHA-UHFFFAOYSA-N 432.911 5.549 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1ccc(-c2cccnc2)cc1 537125320 JFIXYAAXDOTMCW-RBUKOAKNSA-N 430.577 5.290 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cnn(CCC(F)(F)F)c3)cc2Cl)cc1 541283555 CIYBLCOHVZQISQ-UHFFFAOYSA-N 434.805 5.405 30 20 IKED C[C@H](NC(=O)N[C@@H](c1ccccc1)c1ccncc1)c1ccc(-c2cccc(C#N)c2)cc1 543018619 XPQBZGJPSZJBOW-DCFHFQCYSA-N 432.527 5.770 30 20 IKED C[C@@H](NC(=O)N[C@@H](c1ccccc1)c1ccncc1)c1ccc(-c2cccc(C#N)c2)cc1 543018621 XPQBZGJPSZJBOW-HRFSGMKKSA-N 432.527 5.770 30 20 IKED O=C1CCC(C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CC1 543084921 MXTGGXGTDCJOPD-CYBMUJFWSA-N 435.286 5.203 30 20 IKED CCOc1cccc2cc([C@@H](C)NCC(=O)Nc3ccccc3SC[C@H](C)C#N)oc12 544483136 RUQLMPCFOFHNTK-IAGOWNOFSA-N 437.565 5.373 30 20 IKED C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)[C@H]1OCCc2sccc21 550454815 VBLWWAWTRYMFFW-KZULUSFZSA-N 440.512 5.661 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)C[C@H](Cc3ccccc3)c3ccccc3)CC2)c(F)c1 552694844 JPPOANVKULOBRF-DEOSSOPVSA-N 442.534 5.484 30 20 IKED Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)s1 561038065 DKOXQZYDXXJGPA-OAHLLOKOSA-N 433.537 5.109 30 20 IKED C[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Oc2cccnc2)cc1 561786671 WLRAHSLMJJDKQL-MOPGFXCFSA-N 446.576 5.557 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)cc2)nc1 562189476 KYTKAFCNYNZKAI-UHFFFAOYSA-N 433.427 5.057 30 20 IKED CSCC[C@](C)(C#N)NC(=O)c1oc2ccccc2c1CSc1ccc(F)cc1 563770235 LRHOSNKTONGDNX-JOCHJYFZSA-N 428.554 5.629 30 20 IKED COc1ccc(-c2noc(CNc3cccc(Oc4ccc(C#N)cc4)c3)n2)c(OC)c1 576248885 PARWQANSBJCJGH-UHFFFAOYSA-N 428.448 5.030 30 20 IKED CC(=O)CCc1ccc(OCCC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 591207064 XVZDMVQTQDLZGO-UHFFFAOYSA-N 428.488 5.280 30 20 IKED C=C(C)CN(CC)C(=O)[C@H](C)S[C@@H](C)c1nc(O)c2c(-c3ccco3)csc2n1 600037458 UQSGJLNLZDTVMB-KBPBESRZSA-N 431.583 5.264 30 20 IKED Cc1ccc(-n2ncc(C(=O)Nc3nc(C)c(SCC#N)s3)c2C2CC2)cc1Cl 603775407 AYOLUYSMUNFQMN-UHFFFAOYSA-N 443.985 5.344 30 20 IKED CSCc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)oc2ccccc12 603814316 QXRPBKHWXSOQGM-UHFFFAOYSA-N 442.540 6.193 30 20 IKED CC(C)OCCCn1c(S[C@H](C#N)Cc2ccccc2)nc2cc(Cl)ccc2c1=O 604071339 CBDIYAOVZSMMEH-IBGZPJMESA-N 441.984 5.092 30 20 IKED N#C[C@H](C(=O)c1cccc(Oc2nccs2)c1)c1nc(-c2c(F)cccc2F)cs1 606144128 AXHHMKFAVZGUNI-CQSZACIVSA-N 439.468 5.827 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@H](C(=O)c4ccc(F)cc4)C3)cc2)cc1 606416083 KTOCLTGVDBSJDG-QFIPXVFZSA-N 442.490 5.419 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3Oc3cccc(F)c3)o2)cc1 609059273 DFNVXLJEWBYWRG-UHFFFAOYSA-N 428.419 5.914 30 20 IKED CCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cnn1-c1ccccc1 609104969 RLZBTLZEYIWUNZ-UHFFFAOYSA-N 440.478 5.277 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)c3cc(N4CCCC4=O)cc(C(F)(F)F)c3)c2C#N)C1 609115830 DJEUNMIKZHQIMQ-GFCCVEGCSA-N 447.482 5.142 30 20 IKED CC(C)c1[nH]nc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1Br 609316430 YJKKSCUDMVMTKA-UHFFFAOYSA-N 425.286 5.212 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCN(c4ccc(F)cc4F)C3)cc2)cc1 609318773 YCUIPYVYENWVMW-IBGZPJMESA-N 434.446 5.029 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(Cl)c2c(c1)OCCO2 609388251 YYEUUPDJOVPVEL-AWEZNQCLSA-N 448.997 5.377 30 20 IKED COc1ccc(OC)c(CN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)C2CC2)c1 609435225 ZHLGNDQVFPDVDZ-INIZCTEOSA-N 425.554 5.295 30 20 IKED Cc1cccc(OC(F)F)c1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 609469318 BQNIASKKLDLJNY-UHFFFAOYSA-N 439.437 5.842 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 609555717 BYBLESXQLLOLTK-MRXNPFEDSA-N 436.556 6.113 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(F)cc2C(F)(F)F)c1 609724397 WEIUJWBZIMFZSZ-UHFFFAOYSA-N 434.776 6.414 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N[C@@H]3CCCC[C@H]3c3ccccc3)c2)cc1 609942673 SSJLPQGOXZWJGL-LOSJGSFVSA-N 439.515 5.132 30 20 IKED COc1cccc2c1OCC[C@H]2NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 611802660 WQGWYSOBHVOSFX-UZUQRXQVSA-N 427.504 5.118 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(Cc4ccccc4Cl)c3)n2)cc1 613314238 DPRNUPAZCQBWJR-LJQANCHMSA-N 432.936 5.507 30 20 IKED CCOc1ccc(Br)cc1-c1noc([C@@H]2CCCN2c2ccc(C#N)cc2)n1 615131168 GFVMHZCCQYCTSV-SFHVURJKSA-N 439.313 5.111 30 20 IKED O=C(Nc1ccc(Br)cc1F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618539919 YAFVZOSPQINKQB-HTQZYQBOSA-N 437.153 5.183 30 20 IKED COc1c(Br)cc(Br)cc1CNCc1ccc(C#N)c(Cl)c1 619748520 HGZRIGHQMCLUHU-UHFFFAOYSA-N 444.554 5.035 30 20 IKED Cc1ccccc1[C@@]1(F)CCN(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C1 669759528 ILKCRAIYOWKUQE-LDDOYCOJSA-N 440.403 5.485 30 20 IKED N#C[C@H](C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)c1nc2cc(F)ccc2s1 673812100 QBYFLBFQKYWPCS-CYBMUJFWSA-N 447.438 6.068 30 20 IKED O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 674618000 GXVGYVIHIDTUBJ-FHUSYTEZSA-N 442.366 5.564 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C(C)(C)C)cc2)[n+]2ccc(C)cc2)c1 726572747 MLNZTQOYCWTITD-UHFFFAOYSA-O 427.593 5.885 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C 726700061 WKRIOQAAGSWNPA-UHFFFAOYSA-N 437.540 5.213 30 20 IKED COc1ccccc1-c1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)no1 727997009 PLBIQNTWOGRVNI-UHFFFAOYSA-N 439.471 5.362 30 20 IKED CC(C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(COc2ccc(C#N)cc2)o1 728108333 DXXJSEADVAKYJX-QGZVFWFLSA-N 432.476 5.038 30 20 IKED C#Cc1cccc(N(C(=O)c2oc3ccccc3c2CSc2nnc(C)s2)C(C)C)c1 728246737 WHUGPSCBMLYCMN-UHFFFAOYSA-N 447.585 5.922 30 20 IKED CC(=NNc1ccc(Br)cc1F)c1ccc(S(=O)(=O)C2CCCC2)cc1 728432236 LAYPOKSKUQGOJR-UHFFFAOYSA-N 439.350 5.141 30 20 IKED C[C@H](C#N)Oc1ccc(/C=C\c2nc3ccccc3c(-c3ccccc3)c2CC(=O)O)cc1 728698906 BLVATJTZCMFUNF-XCTGESOMSA-N 434.495 5.990 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Oc3ccc(F)cc3)cn2)o1 729377832 DCXMFUKAFCEEIS-UHFFFAOYSA-N 429.407 5.309 30 20 IKED COc1ccc(OCc2nc(/C=C\C(=O)c3nc(-c4ccccc4)cs3)cs2)cc1 732571106 MIERYBGGBSCUOF-GHXNOFRVSA-N 434.542 5.750 30 20 IKED O=C1/C(=C\c2cccc([N+](=O)[O-])c2)CC/C1=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1 733083069 BXUJHYQZBUJTFG-GNVOFHRKSA-N 433.445 5.456 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)ccc1OC 733323662 MQVIBSSMMZAWDN-JYFHCDHNSA-N 443.547 5.154 30 20 IKED CC[C@H](C#N)Oc1cc(CNCc2ccc(-c3ccc(Cl)cc3)s2)ccc1OC 733329975 MURVKVBBHKSRNI-LJQANCHMSA-N 426.969 6.048 30 20 IKED CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H]1CCCN(c2ccccc2)C1=O 734643815 HYOIQDKEVITRRK-DQEYMECFSA-N 438.531 5.001 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(NC(=O)OC(C)(C)C)cc1 742361101 KVCLZXYHCDULMO-INIZCTEOSA-N 441.553 5.445 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(F)c2)c(F)c1)C(=O)N(CCC#N)c1ccccc1 743474124 IJTHBICRPSCEIF-SFHVURJKSA-N 435.474 5.291 30 20 IKED C#CCOc1ccccc1CNC(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2OC)cc1 743613995 RRNSPEQCXPDWQS-FQEVSTJZSA-N 428.532 5.277 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(Oc4ccccc4)c3)NC2=O)c1 746814830 VTQJZTWMZMHWEH-JOCHJYFZSA-N 445.544 5.344 30 20 IKED COc1cc(/C=C\C(=O)O[C@@H](C)c2ccc(C#N)cc2)ccc1OCc1c(C)noc1C 748682159 RPJMOJRUUSFKDX-UEOUDEGLSA-N 432.476 5.068 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)[C@H](C)c1nc2ccccc2s1 748788132 NRNQGJDDGZAPDC-LBPRGKRZSA-N 442.470 5.759 30 20 IKED COc1cc(C2(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)CCC2)ccc1C 750404524 TWEHTEMREGGDSP-INIZCTEOSA-N 438.499 5.704 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cc(Br)cnc3Cl)c2)c1 750567020 WHTSVKPBQPPQIW-UHFFFAOYSA-N 442.700 5.200 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2ccccc2Br)n1C 751380818 DUOIIYLYIYZUCX-UHFFFAOYSA-N 434.337 5.155 30 20 IKED N#Cc1ccccc1NC(=S)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 752776411 YZQOXGYMBCUHAV-UHFFFAOYSA-N 431.908 5.756 30 20 IKED O=C(/C=C/c1nc(-c2cc(Cl)ccc2Cl)cs1)c1ccc(C(F)(F)F)nc1O 753901117 XANUIVRUPVPWTQ-GQCTYLIASA-N 445.249 6.132 30 20 IKED COc1ccc(C(=O)CCCCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 760183314 KZVKFWZMEHHHRD-KRWDZBQOSA-N 447.318 5.093 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)N[C@H](c3ccc(F)cc3)c3ccccc3Cl)CCO2)c1 761668727 GZELDQVASGKVSE-DNQXCXABSA-N 449.913 5.223 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3OC)cc2)ccc1OCCC(=O)O 763372906 GNUMDSRHHWWFKB-NTUHNPAUSA-N 432.472 5.120 30 20 IKED C[C@@H](c1ccsc1)N1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 765138138 JZXXBIAXUHMOAP-CYFREDJKSA-N 430.577 5.314 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC=C(c3ccc(Cl)nc3)CC2)cc1 773810070 IBTPXIFTCCPUKY-UHFFFAOYSA-N 433.870 5.468 30 20 IKED C[C@@H](NC(=O)C(C)(C)[C@@H](O)c1ccc(OCc2ccccc2)cc1)c1ccc(C#N)cc1 778576389 JRLBNXKIANIZFW-CLOONOSVSA-N 428.532 5.074 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nccc2ccccc12)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 792098241 BTYMVROHYLPKSQ-HSQYWUDLSA-N 429.520 5.313 30 20 IKED N#C[C@H](C(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1)c1cnc2ccccc2n1 792101730 UCPDBOCCYTZWJW-BXKMTCNYSA-N 431.467 5.618 30 20 IKED N#C[C@H](C(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1)c1cnc2ccccc2n1 792107922 IVDWKNMUJAWRGJ-NRFANRHFSA-N 427.891 5.281 30 20 IKED CN(C)C(=O)c1ccc(C(=O)/C=C\c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 792923995 AMAPSQIJRYZWSA-KTKRTIGZSA-N 431.344 5.715 30 20 IKED N#CC1(CCCOC(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCOCC1 800111170 VVARTQKVTSXTPX-IHWYPQMZSA-N 435.364 5.381 30 20 IKED CC(C)(COCC(F)F)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 810531487 JHMBPJHDZNKBOT-LBPRGKRZSA-N 433.307 5.601 30 20 IKED C[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1cccc(Br)c1 813060339 WMCJTYLGUVYLDI-HZMBPMFUSA-N 440.124 5.207 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)nc2ccccc21 854258455 CKMXGXMMDAPUMR-SECBINFHSA-N 427.398 5.037 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)/C=C/c3ccccc3C#N)s2)c(C(F)(F)F)c1 916056791 YEXNPLRFUOZHFQ-BQYQJAHWSA-N 438.434 5.148 30 20 IKED CCCOc1cc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)ccc1OC 916276754 IIKAZSVGESXTFM-UHFFFAOYSA-N 437.352 5.220 30 20 IKED Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1ccc(N2CCCCC2)s1 916333099 CSTWYRYABWHQAN-UHFFFAOYSA-N 438.409 5.475 30 20 IKED N#CCOc1cccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)c1 916410049 URJHPQCAFAUYEZ-UHFFFAOYSA-N 442.906 5.406 30 20 IKED Cc1csc(SCc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc2)n1 916884360 BXFZAZATWRLSON-SFHVURJKSA-N 441.965 5.358 30 20 IKED CCOc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cs2)cc1 916918460 MQFAMCLKBWZTIY-FQEVSTJZSA-N 441.512 5.323 30 20 IKED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc3cccc(C)c3c2Cl)cc1 916941966 FDTGDMUHOLILGS-OAHLLOKOSA-N 440.908 5.001 30 20 IKED CC(=O)c1cccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 916996164 LAMVKFFBAUHZFX-KRWDZBQOSA-N 445.327 5.575 30 20 IKED N#C[C@@H](C(=O)Cn1c(SC(F)F)nc2ccccc21)c1nc(-c2ccccc2)cs1 917026067 WFGCEFFEZTUXFW-AWEZNQCLSA-N 440.500 5.351 30 20 IKED COc1cc(C(=O)/C=C\c2c(C)nn(-c3ccc(Cl)cc3)c2C)cc(OC)c1OC 917143871 WEOGWQJBUOXCNP-KHPPLWFESA-N 426.900 5.064 30 20 IKED N#CCOc1ccccc1C(=O)Nc1ccc(COc2ccc(Br)cc2)cc1 919813208 YZSIRSSMBKJBDN-UHFFFAOYSA-N 437.293 5.183 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cccc5nc(C)sc45)CCC3)cc2)C1 1785807927 VTZMXIIYXAKDIV-UHFFFAOYSA-N 431.561 5.319 30 20 IKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(F)cc4F)CCC3)cc2)c1 1790764709 FUCDEFBJHSSXMJ-UHFFFAOYSA-N 449.432 5.037 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4c(Cl)cccc34)cc2)CCC1 1790846694 YTLKWGRIGZWNGZ-OAHLLOKOSA-N 436.943 5.176 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ccc4ccoc4c3)cc2)CCC1)C(F)(F)F 1790894287 OVIWTNNPNCPPLU-UHFFFAOYSA-N 428.410 5.299 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc(F)c(Br)cc3F)CCC2)cc1 1791593378 OTUINESQRTVRRX-UHFFFAOYSA-N 449.295 5.051 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)s2)[C@@H]1c1cccnc1 1802491700 KOUPOGAVLLBOFI-YLJYHZDGSA-N 446.016 5.109 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccccc3o2)n[nH]1 1818630793 YNJAMDPAPXJHDM-LJQANCHMSA-N 434.540 5.454 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nc(C(C)C)cs2)[nH]n1 1819303731 NQSAMWGOPDWISF-LPHOPBHVSA-N 441.601 5.064 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C(C)=C/c2ccc(C)o2)n[nH]1 1819490892 CQDXSSNZJYWLRW-JYRUWLJJSA-N 436.556 5.175 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2)[nH]n1 1819553625 MNSOKURAUDOGHQ-HXUWFJFHSA-N 442.991 5.290 30 20 IKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)CC1 1828166109 ITAHEIIZNWMXDC-IBGZPJMESA-N 443.012 5.201 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2C2CC2)CC1 1832557841 JNKLWFSQDOBJSH-BVAGGSTKSA-N 434.624 5.566 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(CC)cc2)cc1 10173895 HDPCKRWOVQZOKF-UHFFFAOYSA-O 441.523 5.264 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccccc2CC)cc1 10173957 RSXORHQUQWRIRN-UHFFFAOYSA-O 447.624 6.110 30 20 IKED CC(=O)N(c1nc(COC(=O)/C=C/c2ccccc2C#N)cs1)c1ccc(C)cc1C 11541699 BPYUEDHHURCXAL-PKNBQFBNSA-N 431.517 5.073 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 17881526 YASKZJPIERMHED-UHFFFAOYSA-N 448.939 5.017 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(F)ccc1F)=C(/S)Nc1ccc(C(C)C)cc1 22728645 IKGUXAIBYISDLP-UHFFFAOYSA-O 439.551 5.989 30 20 IKED CCn1c(SCC(=O)Nc2ccc(C(C)(C)C#N)cc2)nnc1-c1ccc(Cl)cc1 25838570 CBZPHHLSWQZYFT-UHFFFAOYSA-N 439.972 5.150 30 20 IKED C=CCn1c(SCc2nnc(-c3ccco3)o2)nc2cc(-c3ccccc3)sc2c1=O 29903766 PDKIVOJLWKBGNY-UHFFFAOYSA-N 448.529 5.246 30 20 IKED Cc1cc(N2CCOCC2)ccc1NC(=O)c1ccccc1Sc1ccccc1C#N 33187068 HHORZZCLWAMZDX-UHFFFAOYSA-N 429.545 5.107 30 20 IKED COc1cc(/C=C2/CCC/C(=C\c3cc(Cl)c(O)c(OC)c3)C2=O)cc(Cl)c1O 33348027 HVOVCVCXCXFKMY-GEMWTQJRSA-N 435.303 5.642 30 20 IKED C=CCOc1ccc(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1OC 59887896 NVSVQIVGDXHCRF-QGZVFWFLSA-N 448.494 5.142 30 20 IKED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(N[C@@H](C)c2ccccc2)c(Cl)c1 64448365 SSFUINKKRAGNIM-INIZCTEOSA-N 448.954 5.261 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 64934956 RHSLTIFRECJJBL-UHFFFAOYSA-N 446.528 5.319 30 20 IKED C[C@@H](Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1C(F)(F)F 104839017 FLRXOZINRNBCIR-SECBINFHSA-N 445.281 6.149 30 20 IKED COc1ccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1OC(F)F 108736514 BUHXHFOBKQEBNI-UHFFFAOYSA-N 440.421 5.150 30 20 IKED COc1ccc(Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)cc1NC(=O)C1CCCCC1 302712775 ZVLFKOFWRBLANM-UHFFFAOYSA-N 445.479 5.286 30 20 IKED Cc1nc(NC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)sc1SCC#N 409820574 PYUJCSQFSZDVDD-QGZVFWFLSA-N 447.944 5.619 30 20 IKED CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1cnn(CCC#N)c1-c1ccccc1 428621712 MNKFNGZWQJGBAS-UHFFFAOYSA-N 435.531 5.188 30 20 IKED COc1ccc(CCN(Cc2ccsc2)C(=O)Nc2cc(C#N)ccc2C)cc1OC 428880726 KHOYCVQFDLFRFU-UHFFFAOYSA-N 435.549 5.222 30 20 IKED CN(Cc1cn2c(n1)CCCC2)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 429453830 ZODJTSOJVIMGSX-NRFANRHFSA-N 433.943 5.192 30 20 IKED C[C@H](C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)[C@H]1OCCc2sccc21 431336455 INVYFYKHEUFHAY-BXKMTCNYSA-N 434.536 5.238 30 20 IKED N#CCCn1cc(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)c(-c2ccncc2)n1 435136669 FWHBEVMJRAMFNI-UHFFFAOYSA-N 446.942 5.033 30 20 IKED C=CCn1c(=O)c2ccccc2n2c(SCc3nc(C4CCCCC4)cs3)nnc12 435693668 JSUWXVDYJOLOKN-UHFFFAOYSA-N 437.594 5.027 30 20 IKED CCOc1ccc(Br)cc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 437958149 SPKISNZPTOFPFB-HKUYNNGSSA-N 428.330 5.151 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccn(-c2ccccc2F)n1 438299464 CBKXJANALKZTNF-INIZCTEOSA-N 440.569 5.278 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)c(C)c1 438842312 ORQQFYDDQFUFOG-DLBZAZTESA-N 441.622 5.857 30 20 IKED N#CCC[C@@H](NC(=O)C(=O)Nc1cccc(CSC2CCCCC2)c1)c1ccccc1 439426350 BIKXCROFDUNWPH-HSZRJFAPSA-N 435.593 5.352 30 20 IKED N#Cc1ccc(CSc2nnc(Cc3c(F)cccc3Cl)o2)c(OC(F)F)c1 439534054 DCOIKYOCAGWOOI-UHFFFAOYSA-N 425.819 5.218 30 20 IKED N#CCC[C@H](NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccccc1 439669484 CMKKEIYDGYUKPD-ZEQRLZLVSA-N 445.950 5.362 30 20 IKED C[C@@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 440085456 ATJSNLMMRYZODF-HOYKHHGWSA-N 444.510 5.483 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 460347228 BWQJULIWZHRMSO-QHCPKHFHSA-N 449.463 5.286 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)n1Cc1ccncc1 460371879 WOCPPAPAGGOWCO-JOCHJYFZSA-N 437.528 5.034 30 20 IKED CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 460752472 LCLVFPJTLWCUEW-HXUWFJFHSA-N 428.565 5.424 30 20 IKED C=CCn1c(SCc2csc(COC)n2)nc2sc(-c3ccccc3)cc2c1=O 463032674 ITQTUHCMPCPHLU-UHFFFAOYSA-N 441.603 5.206 30 20 IKED Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 464150332 LTDRVBXWNQSAPP-QZTJIDSGSA-N 429.568 5.607 30 20 IKED C[C@@H]1CCCN(c2cc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)ccn2)C1 464192438 UHWXJZYTVOYSGJ-GDBMZVCRSA-N 438.503 5.210 30 20 IKED CSCc1cc(F)ccc1CNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 465473518 YROUGEPPEOSSHH-UHFFFAOYSA-N 436.556 5.013 30 20 IKED CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1ccccc1Sc1ccccc1C#N 467128511 ZIMOAPXDHUQUSP-UHFFFAOYSA-N 444.556 5.846 30 20 IKED C[C@H](C#N)CSc1ccccc1NCc1ncc(-c2cccc(Br)c2)o1 467262742 HYMSSTRISZUHQD-CQSZACIVSA-N 428.355 5.968 30 20 IKED CC(C)(C)c1nn(-c2ccccc2)cc1CNc1ccc2c(c1)CCC(=O)N2CCCC#N 468755725 AFPPONVUYIHSLC-UHFFFAOYSA-N 441.579 5.365 30 20 IKED Cc1c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cccc1NC(=O)N(C)C 471379478 IYRQKHGBVJVHJN-UHFFFAOYSA-N 428.492 5.199 30 20 IKED CCc1ccc(-c2noc([C@@H](C)NC(=O)Nc3ccccc3S[C@@H](C)CC#N)n2)cc1 473828684 YKGUFFXLPQPFNT-JKSUJKDBSA-N 435.553 5.576 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N(CCCn2ccnc2)Cc2c(F)cccc2Cl)cc1 475907375 RRQUYBNEWHFITJ-UHFFFAOYSA-N 438.934 5.209 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2)c2ccncc12 479912117 MKQOWLCQKBQROV-UHFFFAOYSA-N 442.972 5.006 30 20 IKED Cc1ccc2c(NCc3ncc(-c4cccc(C#N)c4)[nH]3)c(C#N)cnc2c1Br 480109419 ZBRKOSZEBRQKEF-UHFFFAOYSA-N 443.308 5.051 30 20 IKED CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 480677230 PTDWISDVHWQZCU-UHFFFAOYSA-N 439.943 5.070 30 20 IKED N#CCC[C@H](NC(=O)Nc1nnc(-c2cccc(Br)c2)s1)c1ccccc1 481964353 RYFKKLIOXGYKQT-INIZCTEOSA-N 442.342 5.134 30 20 IKED N#C[C@@H](C(=O)c1ccccc1SCc1cn2ccccc2n1)c1nccc2ccccc12 483220046 WCYVXBWOFUFNKQ-JOCHJYFZSA-N 434.524 5.665 30 20 IKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 483613163 JUPIMVIIFXRRDG-UHFFFAOYSA-N 437.499 5.710 30 20 IKED C=CCSc1ccccc1C(=O)Nc1ccc(OCC(=O)N(CC)CC)c(Cl)c1 485736680 VAVCJWKRAPMRQQ-UHFFFAOYSA-N 432.973 5.118 30 20 IKED N#CCCN(Cc1cccnc1)C(=O)c1ccc(Oc2cccc(Br)c2)cc1 486789182 UXEQEHLSMGRTLO-UHFFFAOYSA-N 436.309 5.192 30 20 IKED C=CCC(C)(C)CNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 489768979 OBIITNWNFBSVIB-UHFFFAOYSA-N 444.988 5.050 30 20 IKED N#Cc1ccccc1OCCSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 497661786 XSIUFDARIRMNRH-UHFFFAOYSA-N 433.924 5.025 30 20 IKED N#C[C@@H](NC(=O)c1ccc2c(c1)nc(O)n2C1CCCC1)c1c(Cl)cccc1Cl 499840127 RJCPAASBWOVUTN-QGZVFWFLSA-N 429.307 5.158 30 20 IKED Cc1cc(F)cc2c1CN(C(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)CC2 502161834 ITURBPYQFJLMGN-UHFFFAOYSA-N 429.495 5.369 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cccc(OCc3cccnc3)c2)cc1 502171046 CBGXWGZCYRCSJL-UHFFFAOYSA-N 435.483 5.364 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(Cc4cccc(F)c4)n3)n2)cc1 505717213 RCEHOYLWPUOEOZ-GOSISDBHSA-N 444.516 5.358 30 20 IKED N#CCCn1cc(C(=O)Nc2cccc(-c3cccs3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 505887571 BTYWCDWMBPPBLB-UHFFFAOYSA-N 443.488 5.353 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 506194037 YEHKQTQDZIGZBX-GOSISDBHSA-N 443.507 5.087 30 20 IKED CC1(C#N)CCN(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)CC1 506235495 TUMLPLGDMXYKTH-UHFFFAOYSA-N 430.430 5.115 30 20 IKED CC(C)Cn1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1C1CC1 507267618 YQXDEXGTORZKMM-UHFFFAOYSA-N 432.499 5.259 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(C(=O)Nc4ccccc4)c3)s2)cc1 507728590 YHJQGIKMFFAKHN-UHFFFAOYSA-N 438.512 5.110 30 20 IKED C=CCN(C(=O)[C@@H]1CCCN(C(C)=O)C1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 511957247 NJGODCQVLLBSRH-HSZRJFAPSA-N 445.588 5.255 30 20 IKED Cc1c(Br)c2ccccc2n1CC(=O)Nc1cccc(OCCCC#N)c1 517099387 YHHAJLAGQSSLHW-UHFFFAOYSA-N 426.314 5.034 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(Cl)ccc1Br 518501347 CXJOTUFMZIAWTA-UHFFFAOYSA-N 441.712 6.327 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1c1cccc(Br)c1 519450378 CTZPVKFLOMVBLT-HNAYVOBHSA-N 444.398 6.070 30 20 IKED COc1ccc(C)cc1-n1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)n1 520463314 FTKXZARGPUGUPX-UHFFFAOYSA-N 438.487 5.414 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(CCc1ccccn1)Cc1ccc(F)cc1 520936645 FKJOKOOPZPJIMJ-LJQANCHMSA-N 448.567 5.892 30 20 IKED O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)Nc1cccc(C#Cc2ccccn2)c1 522073864 FYWWPYDKZMIMME-UHFFFAOYSA-N 438.462 5.130 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC1(c2cccc(Br)c2)CC1 523784711 DMOQLCKHFKIWNC-HNNXBMFYSA-N 444.398 5.697 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H](CCO)c3ccccc3)cc2Cl)cc1 524901387 ZFUODANWNJTZPB-LJQANCHMSA-N 435.911 5.292 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1nc(-c2ccc(C)cc2)no1 532629066 NQWCOJKTDJPRPQ-UHFFFAOYSA-N 433.537 5.002 30 20 IKED COc1ccc(Br)cc1CN(C)C(=O)Nc1ccccc1SC[C@H](C)C#N 533278675 URYVCZFVOQIZQV-CQSZACIVSA-N 448.386 5.373 30 20 IKED CCc1nc2ccccc2n1C1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 536794275 BGBOCHCSTFTLCK-UHFFFAOYSA-N 441.457 5.358 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[C@H](C#N)c1nc2ccccc2n1C 541018577 FUIIKVPPNHMHHC-ZDUSSCGKSA-N 425.275 5.334 30 20 IKED N#C[C@@H](NC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1)c1cccc(Cl)c1Cl 541423076 GLRGBBWPJRWUQS-DNVCBOLYSA-N 431.367 5.181 30 20 IKED C[C@@H](NC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1)c1ccc(-c2cccc(C#N)c2)cc1 542091255 VIEGIVVOBPNMCT-LJQANCHMSA-N 447.542 5.661 30 20 IKED Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542930584 RBAIZQOWXPTASN-MRXNPFEDSA-N 427.529 5.670 30 20 IKED CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(=Cc2ccccc2F)CC1 549382073 IDYXJLSNHAKRNG-UHFFFAOYSA-N 445.542 5.066 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H](C)[C@@H]1OCCc2sccc21 550961634 CSKMIYIARKAOED-OSPHWJPCSA-N 434.536 5.551 30 20 IKED COc1ccccc1O[C@H]1CCCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)C1 554443076 OTJAKIISOPPRJC-MSOLQXFVSA-N 425.554 5.022 30 20 IKED COc1cc(-c2ccccc2)sc1C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 557661037 USROEJIITICZDP-UHFFFAOYSA-N 436.508 5.118 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)CC1 558632559 UCMZJXAPANWNPB-UHFFFAOYSA-N 439.544 5.448 30 20 IKED Cc1c(C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)sc2ccc(C#N)cc12 559851726 JQMWLBHTTOOBRZ-UHFFFAOYSA-N 445.931 6.239 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC([C@H](F)c4ccccc4F)CC3)cc2)nc1 560723527 DSNYZCIILGYCST-DEOSSOPVSA-N 433.458 5.448 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N[C@@H](c3c[nH]c4ccccc34)C(F)(F)F)o2)cc1 561263723 BEEUGPPDXAFRLH-NRFANRHFSA-N 439.393 5.245 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC1(c2ccc(F)cc2)CCOCC1 561406895 ALGUAZLXPAYPBU-KRWDZBQOSA-N 427.545 5.090 30 20 IKED FC(F)(F)c1cc([C@H](NCc2nnc3n2CCCC3)C(F)(F)F)cc(C(F)(F)F)c1 566994985 MPQPYVMTWFSYLN-AWEZNQCLSA-N 446.317 5.045 30 20 IKED CC1(c2nc(-c3cccc4cnccc34)no2)CCN(c2ccc(Cl)cc2C#N)CC1 568694944 SHPBVPHDIZYFGM-UHFFFAOYSA-N 429.911 5.368 30 20 IKED CCCOc1c(Br)cc(CNC2(c3cccc(C#N)c3)CC2)cc1OCC 570945486 CBJVOCPVSHTGRK-UHFFFAOYSA-N 429.358 5.287 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 574294946 DEKISVAOYLMNCR-PMOQBDJRSA-N 432.568 5.010 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(C2(c3ccccc3)CCOCC2)no1 579040310 LUOADMJWIDNLSF-UHFFFAOYSA-N 430.426 5.417 30 20 IKED N#Cc1cccc(COc2cccc(CNc3ccc(C(=O)NCC(F)(F)F)cc3)c2)c1 579094941 FBYYQAPDHFEYOW-UHFFFAOYSA-N 439.437 5.041 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cc(Cl)cc(F)c3Br)cn2)c1 585696998 HKDYDRDDZOCATH-UHFFFAOYSA-N 446.663 5.553 30 20 IKED C=CCN(C(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c12)c1nc2c(s1)CCCC2 589894068 LTQUAQKZIMFXEK-UHFFFAOYSA-N 448.548 5.774 30 20 IKED CC(=O)Nc1ccc(Br)cc1NC(=O)c1sc2ccc(C#N)cc2c1C 590203983 RGIRKZVCMKBHRT-UHFFFAOYSA-N 428.311 5.055 30 20 IKED COc1ccc(CN(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)c(OC)c1 598783632 KTELIYGXBIUOLG-UHFFFAOYSA-N 432.545 5.140 30 20 IKED Cc1cc(-c2cc(C(=O)N(Cc3ccc(C#N)cc3)CC(C)C)c3c(C)noc3n2)c(C)o1 603530624 MVHPVEPOQKKMEX-UHFFFAOYSA-N 442.519 5.578 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)cc1 603958507 YHTQBHUPGAALGF-UHFFFAOYSA-N 428.517 5.422 30 20 IKED COc1cc([C@H](C)NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)ccc1OCC(C)C 609057040 MBLOAKZKJNVPBV-SFHVURJKSA-N 448.519 5.265 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 609398493 XDUFIOOCNPXPFO-JHJVBQTASA-N 439.425 5.533 30 20 IKED COc1ccc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1OC1CCCC1 609399406 UBHWHGNQSWQNNP-QGZVFWFLSA-N 439.581 5.590 30 20 IKED COc1ccc([C@@H]2CCN(C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)C2)cc1 609724227 DPTSVPYCJZUBFY-LJQANCHMSA-N 432.907 5.642 30 20 IKED COc1ccccc1[C@@H](CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)N(C)C 609729773 STPFTTZZFIEPFT-JOCHJYFZSA-N 449.938 5.045 30 20 IKED C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 609968678 YMWNOIZUYTZXHL-AWEZNQCLSA-N 428.376 5.347 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2)cc1 609987263 NZMHADILZPFVRE-IYBDPMFKSA-N 441.375 5.505 30 20 IKED CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 609991479 RTRRUILKSYSOIU-UHFFFAOYSA-N 435.531 5.397 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N[C@H](C#N)c3ccccc3Br)c2)cc1 609993926 CSJKIQRXVIQOSE-OAQYLSRUSA-N 431.293 5.059 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)c(Cl)c1 611094349 GXCNMKOLYIZSNY-NDEPHWFRSA-N 435.376 5.699 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)cc12 613291164 UVXZNEOETKEQOC-FQEVSTJZSA-N 440.503 5.632 30 20 IKED CC(C)OCCCn1c(S[C@H](C#N)c2ccc(Cl)cc2)nc2ccccc2c1=O 619863761 BIBHMGNOIBKXIL-HXUWFJFHSA-N 427.957 5.222 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCC[C@H](c2nc3ccccc3o2)C1 642480473 XFQXLKLMSPGYLI-IBGZPJMESA-N 427.529 5.701 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)c1C(F)F 676176731 FSMMVTQADDPWFL-UHFFFAOYSA-N 445.310 5.361 30 20 IKED CC(C)[C@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(Cl)cc1F 679765780 QVZUAYKVXSLRQH-SCRDCRAPSA-N 434.783 5.558 30 20 IKED O=C(N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 684253749 RRPREBQFTYRXID-WDTWZTHCSA-N 440.403 5.671 30 20 IKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2cc3c(s2)-c2ccccc2C(C)(C)C3)n1 726833340 XBLCUVJFIKNEEB-MRXNPFEDSA-N 436.558 5.047 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 726940365 HDLCVXWPZHHSGT-SFHVURJKSA-N 444.362 5.101 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3c(O)cccc3Cl)s2)c(C(F)(F)F)c1 726981262 PDSYFMKPJBAMEG-UHFFFAOYSA-N 437.830 5.236 30 20 IKED CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 727133289 KYWPKAIMTJKZNT-DNQXCXABSA-N 441.531 5.547 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCc2nc3c(s2)CCCC3)cc1 727223558 VHQFNHRHULRKPQ-OAQYLSRUSA-N 430.577 5.432 30 20 IKED CCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 732065786 CLFMATQYFDISHE-HSZRJFAPSA-N 447.579 5.094 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 732708176 NBHYGJFUSJDQNW-NRFANRHFSA-N 442.421 5.871 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccc(N2CCCCC2)cc1 733081373 WLCZPFKTKJDIDB-UHFFFAOYSA-N 440.473 5.384 30 20 IKED CC(C)c1ccc(-c2nc(CC(=O)Nc3ccnn3-c3ccc(C#N)cc3)cs2)cc1 733112754 QVCFRWVMKDDHIZ-UHFFFAOYSA-N 427.533 5.172 30 20 IKED CCOc1cc(/C=C\C(=O)c2sccc2C)ccc1OCc1ccc(C(=O)OC)o1 733749691 UFZUBCLKSWEVNR-YVMONPNESA-N 426.490 5.310 30 20 IKED Cc1ccc(-c2ncc(C=Nn3c(S)nnc3COc3cc(C)cc(C)c3)s2)cc1 734297284 WBWUPHRFEMZGRV-UHFFFAOYSA-N 435.578 5.077 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(Oc4ccc(Cl)nn4)cc3)c2)cc1 737855213 RBONBGGPPDUIJL-UHFFFAOYSA-N 441.878 5.790 30 20 IKED C#CCCN1CCC(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2cccs2)CC3)CC1 740738815 OCRNBCHRJJZFMD-VHEBQXMUSA-N 441.600 5.001 30 20 IKED O=C(/C=C\c1ncc(-c2cccc(Br)c2)[nH]1)c1cccc(-c2ccncc2)c1 741471187 XDLMPPMDZMYMPE-FPLPWBNLSA-N 430.305 5.797 30 20 IKED COC(=O)C[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)c2ccccc21 741591234 YNTKPKULPQEJBX-SFHVURJKSA-N 428.513 5.017 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)/C(=C\c3ccc(F)cc3)c3cccs3)o2)c1 741832844 RUAIFXUAVIPLSC-UNOMPAQXSA-N 431.448 5.093 30 20 IKED Cc1ccc(N2CCC[C@@H](NC(=O)c3ccccc3SCc3ccc(C#N)cc3)C2)cc1 742141339 MPHGZLCDWFHJDL-HSZRJFAPSA-N 441.600 5.558 30 20 IKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC(OCC3CCCCC3)CC2)c1=S 742169704 JQDOFMYAJXJCOS-UHFFFAOYSA-N 444.620 5.425 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1F 742963133 PWRJIZFYXCMRQB-UHFFFAOYSA-N 446.438 5.250 30 20 IKED N#C[C@H](COC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)Cc1ccc(F)cc1 743469086 NZDCFXZUGZZLBI-CYBMUJFWSA-N 435.307 5.795 30 20 IKED CCC(CC)(CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 743986758 SNUFQDDSAGWAAP-RUZDIDTESA-N 439.559 5.155 30 20 IKED N#C[C@@H](C(=O)NCc1ccccc1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1 744027367 RRKJAMVZNOHLJG-GOSISDBHSA-N 439.298 5.425 30 20 IKED C=CC[C@@H](NC(=O)N(Cc1ccccc1)[C@H](C)Cc1ccccc1OC)c1ccncc1 745826781 DIILZIIODSBASA-PXDATVDWSA-N 429.564 5.550 30 20 IKED CC[C@@H](C)n1c(SCC(=O)[C@H](C#N)c2nc(C(C)C)cs2)nnc1-c1ccccc1 747197982 QOWHGNLORYWGOG-WBVHZDCISA-N 439.610 5.465 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3CSC3=NCCS3)cc2)c1 747386467 OSAKDGQQICQQPG-UHFFFAOYSA-N 445.569 5.939 30 20 IKED CC(Cc1nc2ccccc2s1)=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1 749163869 ARDRBTTVFFTDJT-UHFFFAOYSA-N 428.443 5.198 30 20 IKED N#Cc1ccccc1N1CCC(NC(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)CC1 749534464 WQDZCGKCYXTHBI-RUZDIDTESA-N 445.563 5.316 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)COc1ccc(C2SCCCS2)cc1 752039331 OQWCXRHMBKMYRN-FGZHOGPDSA-N 438.618 5.232 30 20 IKED N#CCOc1ccc(Cl)cc1CSc1nnc(-c2ccncc2)n1C1CCCCC1 768414535 OUSOYVUWTPQAHD-UHFFFAOYSA-N 439.972 5.693 30 20 IKED N#Cc1cc(Cl)ccc1COC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 772184717 UMCHNQNIYSGTMA-UHFFFAOYSA-N 431.250 5.011 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(NC(=O)OC(C)(C)C)c(C)c2)cc1 772554069 LXHAUWLYGOEGLI-IERDGZPVSA-N 449.551 5.817 30 20 IKED C=CCn1c(COc2ccccc2)nn(CN(CCC)[C@@H]2CCCc3cccnc32)c1=S 774609573 IPKOQQUOWAPBFM-JOCHJYFZSA-N 449.624 5.321 30 20 IKED N#C[C@@H]1CSCCN1Cn1nc(Nc2ccc(Oc3ccccc3)cc2)sc1=S 774642689 OGSALJNCSGJWDQ-MRXNPFEDSA-N 441.607 5.108 30 20 IKED Cc1nc(C2CCCCC2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 775227910 QWSXCZAOAUDUQV-INIZCTEOSA-N 449.548 5.775 30 20 IKED C[C@@H](NC(=O)C(C)(C)[C@H](O)c1ccc(OCc2ccccc2)cc1)c1cccc(C#N)c1 778827548 RQSTVRMALMTXAH-KBMIEXCESA-N 428.532 5.074 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2ccccc2O[C@H](C)C#N)ccc1OCc1ccccc1 780671602 WLDSAYHXYIAUFS-RTBURBONSA-N 445.519 5.448 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 780673640 XVIZRIUDPCWFFS-ZBFHGGJFSA-N 434.323 5.360 30 20 IKED N#C[C@@H](C(=O)NCc1ccc(F)c(F)c1)C(=O)c1ccc(Oc2ccccc2Cl)cc1 786568063 GQVFLXZSCONRLN-QGZVFWFLSA-N 440.833 5.049 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccoc1 787108192 WWNWOMPAEQTQSG-UHFFFAOYSA-N 444.143 5.175 30 20 IKED N#CCSc1ccccc1C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 787196544 GFDVGIJEEZDGIH-UHFFFAOYSA-N 433.480 5.621 30 20 IKED N#C[C@@H](C(=O)c1ccn(CC(F)F)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 789404195 CQWRBYUWURHMIJ-NSHDSACASA-N 427.263 5.069 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 790965159 GMOXJWUMTXPGRP-SFHVURJKSA-N 448.350 5.654 30 20 IKED O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)N(CCC(F)(F)F)CC(F)(F)F 791118653 ZNZSIQRRQAILFT-YRNVUSSQSA-N 427.694 5.629 30 20 IKED N#C[C@H](C(=O)CCc1nc2cc(Br)ccc2s1)c1nccc2ccccc12 792096772 RAKBOMPJBSCSKK-MRXNPFEDSA-N 436.334 5.416 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)C[C@@H](CC#N)c1ccccc1 793888453 OSTKRJUELABJHA-XXBNENTESA-N 433.552 5.615 30 20 IKED C[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)C(=O)Nc1ccccc1Cc1ccccc1 795979686 DFUGOIMZZRLJGN-NZQKXSOJSA-N 426.516 5.235 30 20 IKED CCCCn1c(SCCO[C@@H](C)C#N)nc2scc(-c3ccc(F)cc3)c2c1=O 801655294 VJUOSOZPKMAKCU-AWEZNQCLSA-N 431.558 5.085 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(Oc2ccccc2)CC1 802560109 NEVBVFVPSQRKPJ-DQEYMECFSA-N 444.579 5.147 30 20 IKED O=C(Nc1cccc(/C=C2/C[C@@H](C(=O)O)c3ccccc3C2=O)c1)c1ccccc1Cl 806559382 AQGXKLXJOONCQT-MJGOQDMVSA-N 431.875 5.431 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(Br)ncc1Cl 808235179 GHXWKZQERNCMKA-UHFFFAOYSA-N 443.688 5.117 30 20 IKED CC(C)(C(=O)OC[C@@H](C#N)Cc1cccs1)c1csc(-c2cc(F)ccc2F)n1 810648784 FRHDVWVVZIKKLA-CYBMUJFWSA-N 432.517 5.353 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1nc2ccccc2cc1Cl 811293368 NDMDKMZALKMMRK-CQSZACIVSA-N 439.924 5.078 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(-c2noc(-c3cnc(C(F)(F)F)c(C#N)c3)n2)c1 815679736 RXXJTHAXNMWWIA-UHFFFAOYSA-N 431.374 5.036 30 20 IKED Cc1nc(NN=C2C(=O)Nc3c(F)ccc(Cl)c32)c2cc(-c3ccccc3)sc2n1 914559227 DJKOGQGFRQAKFM-UHFFFAOYSA-N 437.887 5.228 30 20 IKED FC(F)Oc1ccc(NC(=S)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 914706716 FCDQMHJXVIRUFW-RKDXNWHRSA-N 436.368 5.484 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102175 OCRDYIABFQPPAA-BLLLJJGKSA-N 442.327 5.632 30 20 IKED O=C(Nc1ccccc1SC(F)F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 915318649 ZHRRFJKLHIXQAC-IUCAKERBSA-N 436.368 6.032 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccccc2)cc1 916902580 ZYMDSPHZFRCLLW-LJQANCHMSA-N 434.879 5.411 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc(NC(=O)C(C)(C)C)cc1C 916902724 HBCBXOWPPCKFGT-KRWDZBQOSA-N 439.581 5.127 30 20 IKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 916977107 JPKGECOWHOOHAL-YWZLYKJASA-N 435.574 5.434 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CSc3c(F)cccc3C2=O)cs1 917559148 FAHQJZUWNBQQTN-LCYFTJDESA-N 428.485 5.478 30 20 IKED N#Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3nc4ccccc4s3)o2)SC1=S 917644941 OTOLZZQKAYGQRF-ODLFYWEKSA-N 445.550 5.834 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 918578280 URICOTUYFXIGRY-SANMLTNESA-N 438.527 5.311 30 20 IKED O=C(Nc1ccccc1SC(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 919653430 XYHVFYIJAAXOQG-RKDXNWHRSA-N 440.331 5.893 30 20 IKED CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)[C@@H](C#N)c1nc2ccccc2s1 920105728 DEDGKPYJKMZVJI-HYBUGGRVSA-N 441.556 5.009 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](Oc3ccccc3)c3ccccc3)n2)cc1 920139251 PPGAKSJUABGZDR-RCZVLFRGSA-N 440.524 5.815 30 20 IKED Cc1ccc(C(C)C)c(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 920141489 PCYDWJWMYAYHNL-DYESRHJHSA-N 429.545 5.757 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(Oc2cccnc2)cc1 920790200 RPPPOBZRLQYACR-LJQANCHMSA-N 439.443 5.150 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3nc(C)ccc3o2)n[nH]1 1817690397 QHZRYYFFVLCSDX-IBGZPJMESA-N 449.555 5.158 30 20 IKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4ccccc34)n[nH]2)cc1 1818453490 UZJCCILMFAGYIM-DEOSSOPVSA-N 449.514 5.054 30 20 IKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2C)CC1)C(F)(F)F 1823912093 GBAGPYPUDSNQLL-LJQANCHMSA-N 442.909 5.000 30 20 IKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4ccccc4)CCCC3)CC2)C1 1823997751 NHIYWQKSHIGMGP-RUZDIDTESA-N 434.624 5.084 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCc3ccccc32)CC1 1828829207 FROPMMCYSMFVMD-DMTNHVFBSA-N 434.624 5.105 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cccc(O)c2)CC1 1831500982 XUPUGBCUGRZZFY-UWHSVAFCSA-N 438.612 5.018 30 20 IKED Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1Cl 1832603118 KKLHDCYGJIILES-HSZRJFAPSA-N 449.982 5.067 30 20 IKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C)c2Cl)CC1 1832603716 UETNAKFQGPEHEX-QFIPXVFZSA-N 429.004 5.075 30 20 IKED CC(C)C1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)CCC1 1832635337 AMKZFKJETCGFNL-SQJMNOBHSA-N 449.639 5.373 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@]2(F)CCCC=C2F)CC1 1832977289 BBANIQSLCGYREY-PXDATVDWSA-N 434.571 5.120 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(-c2ccccc2)c(F)c1 1847532263 LJVNJLKJDFLTOJ-DQEYMECFSA-N 432.539 5.077 30 20 IKED COc1cccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc3c(c2)CCCC3)c1 11261008 GQIVJYREBYTGAC-UHFFFAOYSA-O 445.608 5.529 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 17944471 YPRAIPUZCKPTAF-SNVBAGLBSA-N 435.387 5.092 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccc(F)cc1 24014711 QCFJMYMCESLDSD-CQSZACIVSA-N 430.936 5.351 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccc(CN2CCCC2)cc1 26213749 LQTYSXAITJLTIE-UHFFFAOYSA-N 427.573 5.235 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(Br)cc1F 32040245 RJUBJUOXTADHKQ-YUMQZZPRSA-N 436.165 5.228 30 20 IKED C=CCN(C(=O)Cc1ccc(C)nc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 58042151 QNXFZNYWHCOBMH-UHFFFAOYSA-N 425.557 5.942 30 20 IKED CCCCOc1ccc(OC)cc1NC(=O)c1ccccc1Sc1ccccc1C#N 58788134 DETRRMUXAJGHEE-UHFFFAOYSA-N 432.545 6.149 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 64919177 APIPRQKXKVRPTN-UHFFFAOYSA-N 432.486 5.571 30 20 IKED COc1ccc(CCCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OC 65123293 IWGYWNSPCMLZFW-UHFFFAOYSA-N 446.572 5.230 30 20 IKED Cc1cccc(C)c1OCCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 71944581 PJAUPVBJGJPWSR-UHFFFAOYSA-N 429.520 5.149 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1ccc(SC)c(OC)c1 78768971 HMFNVLPOAPWOEM-UHFFFAOYSA-N 431.558 5.205 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)cc1Cl 195622718 LTJBYEXRPPNTHY-VWNXMTODSA-N 443.934 5.239 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)nnc1-c1ccccc1F 218293763 VERHEKQBIYIKHJ-AWEZNQCLSA-N 439.491 5.621 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)[nH]1 303336224 XOLOTKXGEZDDNI-CYBMUJFWSA-N 443.985 5.108 30 20 IKED COc1ccc(-c2cc(NC(=O)c3ncc(C#N)cc3Cl)ccc2OC(F)F)cc1 427899949 WYDQGCRILSUHEH-UHFFFAOYSA-N 429.810 5.136 30 20 IKED CCOc1cc(Br)c(NC(=O)c2cccc(SCC#N)c2)cc1OCC 429861400 PKUXLKSDUROHMJ-UHFFFAOYSA-N 435.343 5.114 30 20 IKED Cc1ccccc1-n1ncc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c1C(F)(F)F 430613283 VCSGNSKOAUWSLE-ZDUSSCGKSA-N 432.471 5.444 30 20 IKED Cc1c(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cccc1-c1ncco1 432681014 ZYEOKOYQWYCECD-UHFFFAOYSA-N 438.487 5.939 30 20 IKED CC(C)(NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1cc(C(F)(F)F)on1 432991025 IDQDAUOFDCUNMP-UHFFFAOYSA-N 448.376 5.553 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)cc1OC 433965404 QDJCMIAGTXHMJT-UHFFFAOYSA-N 446.290 5.401 30 20 IKED COc1cccc([C@H](NC(=O)N[C@H](CCC#N)c2ccccc2)c2cc(F)ccc2OC)c1 438851151 JQHUYVIPWRUTKO-NOZRDPDXSA-N 447.510 5.277 30 20 IKED CC(C)Sc1ccccc1NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 439393334 CMQRXRNKIASINX-UHFFFAOYSA-N 431.517 5.428 30 20 IKED CC(C)(C)c1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 441884279 OECKIYRLHHCTFZ-UHFFFAOYSA-N 445.494 5.042 30 20 IKED CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 443887169 VNWIKGOHLNLSGK-UHFFFAOYSA-N 446.429 5.456 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(F)cc(Br)cc1F 445824768 OWRHQVPAFJDJKL-UHFFFAOYSA-N 444.235 5.347 30 20 IKED Cc1ccc(F)c(CN(C)C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 447282328 GECNEKAAHHEHBG-OAQYLSRUSA-N 449.913 5.040 30 20 IKED CC(C)[C@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2ccccc21 448063308 ITHXXXUVKTZRIS-DHIUTWEWSA-N 430.552 5.276 30 20 IKED N#CCCN(C(=O)c1ccc(NC(=O)c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 460468042 JCCACNDCDXCYFF-UHFFFAOYSA-N 427.548 5.264 30 20 IKED CCCNc1ccc(C#N)cc1NC(=O)c1oc2ccccc2c1CSc1ncccn1 461715140 ZOLGUIDPARCQLG-UHFFFAOYSA-N 443.532 5.461 30 20 IKED C=CCN(C(=O)[C@@H]1OC[C@H]2COCC[C@H]21)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 463099262 PVQWNYKGTSOHAA-CQOQZXRMSA-N 446.572 5.048 30 20 IKED Cc1nn(C)c(Sc2ccccc2)c1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 464396329 OSFPVPCUFYCWDI-UHFFFAOYSA-N 431.546 5.127 30 20 IKED CCN(Cc1c[nH]c2ccccc12)C(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 468087200 IWZAFUGMRVSLGL-UHFFFAOYSA-N 425.536 5.224 30 20 IKED C=CCCN(C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)c(OC)c1)CC2 468183022 LYHUAGGAYPXWRN-KNTRCKAVSA-N 428.532 5.387 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 468965880 KZSYCAXEGKIEJU-KRWDZBQOSA-N 430.577 5.875 30 20 IKED Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 469180397 XASZUCMRSSVQQY-UHFFFAOYSA-N 444.441 5.162 30 20 IKED CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469951064 UPPFOWIWRDIVBR-HSZRJFAPSA-N 433.552 5.189 30 20 IKED Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1 470240962 CCJVXGQDZJEBQG-FTJBHMTQSA-N 426.516 5.096 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 475574514 OMLBXZCFAWVAJX-IBGZPJMESA-N 438.591 5.312 30 20 IKED C[C@@H](SCC(=O)Nc1ccc(C#N)cc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 476200817 VKBWLGYPQMWWFW-GFCCVEGCSA-N 432.427 5.060 30 20 IKED N#CC[C@H](CC(=O)Nc1ccc(Br)cc1OC(F)(F)F)c1ccccc1 476996230 ZRQWOKZGKVHHJA-CYBMUJFWSA-N 427.220 5.374 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccc(C)cc1 481389551 IOFSZBJZKCNTII-OAHLLOKOSA-N 446.498 5.578 30 20 IKED Cc1cc(-c2noc([C@H](C)NCc3cccc(OCc4ccccc4C#N)c3)n2)ccc1F 483645945 AHULAGHWEJYIRR-SFHVURJKSA-N 442.494 5.486 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 487127339 MUVMZAYNRDSUEX-GOSISDBHSA-N 447.560 5.135 30 20 IKED Cc1cccn2cc(COc3ccc(C(=O)N[C@@H](CCCC#N)c4ccccc4)cc3)nc12 487314815 OROGYEBNCLVIIZ-VWLOTQADSA-N 438.531 5.387 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2C(F)(F)F)n(-c2ccccc2C(F)(F)F)n1 487568289 CDBLIWSNNRXDKY-UHFFFAOYSA-N 431.311 5.610 30 20 IKED CC[C@@H](c1ccccc1)c1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)o1 488803410 ITHGRXFTCHTPAF-ZFWWWQNUSA-N 438.578 5.153 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)cc1 489537198 MHDMHLBPBLIOKL-OALUTQOASA-N 432.549 5.292 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)nnc1-c1ccc(C)cc1 489656078 NMDJHWPZHDGNLM-CQSZACIVSA-N 430.936 5.351 30 20 IKED CN(C)CCCC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 490402524 QOGRAAFBWKRDDE-HSZRJFAPSA-N 439.003 5.581 30 20 IKED Cc1noc(CSc2ccccc2C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)n1 493954272 ZSHIIKPVFHFPNR-UHFFFAOYSA-N 442.500 5.587 30 20 IKED CCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H](c1ccc(C)cc1)c1cccnc1 496571743 KSEOCHFTTLZTQH-HHHXNRCGSA-N 448.526 5.701 30 20 IKED Cc1cc(C)c(C)c(OCCC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 500123073 JYLBWBSRRBEACW-UHFFFAOYSA-N 438.578 5.035 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CNc2cccc(C#N)c2C)cs1 500773968 QWARTDKGKAYNMO-UHFFFAOYSA-N 430.455 5.639 30 20 IKED CCOc1cc(C(=O)N(Cc2ccco2)c2ccccc2C#N)cc(OCC)c1OCC 501005442 ZNKKPNAVQLEHAR-UHFFFAOYSA-N 434.492 5.194 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)cc1 504017288 HHYBXDUQWLIKCI-UHFFFAOYSA-N 431.467 5.317 30 20 IKED Cc1nc(NC(=O)c2cccc(OCc3cccc(Cl)c3)c2)sc1SCC#N 504691578 IRCUZALGHSFZNY-UHFFFAOYSA-N 429.954 5.552 30 20 IKED CC[C@H]1C[C@@]1(NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(C)c1 504859216 SNKKBYKOMFFANI-FNZWTVRRSA-N 430.552 5.025 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCCc3ccc(Cl)s3)c2)cc1 506106476 NIKOGADUSDTOTP-UHFFFAOYSA-N 425.941 5.411 30 20 IKED N#Cc1ccc(OC2CCC(NCc3cc(Cl)ccc3OCc3cccnc3)CC2)nc1 507724596 KELBRUYOBOFMKC-UHFFFAOYSA-N 448.954 5.060 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1sc(COc2ccc(Cl)cc2)nc1C 510223028 NYJDKNWRZZYEBK-UHFFFAOYSA-N 427.913 5.207 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N(Cc3cccc(F)c3)C3CC3)s2)cc1 510240946 LGQITVVRCUEFMY-UHFFFAOYSA-N 439.541 5.038 30 20 IKED CCN(C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1)c1ccc(C#N)cc1 510260574 VVVZHNFGQVMMHJ-UHFFFAOYSA-N 448.320 5.240 30 20 IKED N#C[C@@H](C(=O)c1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(C(F)(F)F)cn1 510310007 IHZAUFUGELXKHB-LJQANCHMSA-N 430.813 5.823 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1 510705601 WXZRYWPTAHKCDI-UHFFFAOYSA-N 442.906 6.075 30 20 IKED CCN(C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@@H](C)c1cc2ccccc2o1 510766448 PPRRFTGECVLKAD-AWEZNQCLSA-N 431.414 5.861 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CCCOc1ccc(F)cc1 510872084 MRRGMCCFBRYJKV-UHFFFAOYSA-N 433.483 5.731 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1 511397719 KKORJFUWRLBYBF-RUZDIDTESA-N 429.495 5.840 30 20 IKED CCCN(CC)C(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 511764674 HVNGSZBRMCAPMU-NRFANRHFSA-N 442.544 5.044 30 20 IKED Cc1cc(C(=O)N2CCC(C)CC2)ccc1NCc1cn(CCC#N)nc1-c1ccccc1 512379321 GMZBCULAYOPKQO-UHFFFAOYSA-N 441.579 5.256 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2cccc(C(C)=O)c2)C(C)C)nnc1-c1cccc(C)c1 514772979 APJWQWBTASXDBF-QFIPXVFZSA-N 448.592 5.398 30 20 IKED C[C@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 515707245 LJSPFXAJWWRJCY-SNVBAGLBSA-N 437.270 5.266 30 20 IKED COc1ccc(Oc2cc(CNC(=O)Nc3ccccc3SC[C@H](C)C#N)ccn2)cc1 517473046 HHTYFAOBPOYZBD-QGZVFWFLSA-N 448.548 5.456 30 20 IKED Cc1nc(-c2ccc(CNC(=O)Nc3ccccc3S[C@@H](C)CC#N)s2)cs1 517529925 KROXPSRPBWZHBS-ZDUSSCGKSA-N 428.608 5.896 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3nnc(-c4ccccc4Cl)s3)cc2)nc1 517655681 PBENYXDTSNTKID-UHFFFAOYSA-N 433.880 5.170 30 20 IKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1c(F)cccc1F 518147425 MYYYYLMAWMCYQL-NSHDSACASA-N 429.414 5.428 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N(Cc3ccccc3)CC3CCC3)cc2)cc1 519080529 JEWBHRWBZKNUOZ-UHFFFAOYSA-N 439.515 5.118 30 20 IKED Cc1noc(C2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)n1 519186639 KSAWRGACEZWXQP-HXUWFJFHSA-N 435.915 5.098 30 20 IKED CC[C@H](c1ccccc1)N(CC)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 519913141 JAWHSXXGAKMCOE-XMMPIXPASA-N 426.520 5.816 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 519913582 GYKBHJNRNCTVJQ-UHFFFAOYSA-N 444.510 5.640 30 20 IKED N#C[C@@H](C(=O)c1oc2ccccc2c1CSc1cccs1)c1nc2ccccc2s1 520075421 DSOYOPZJPJWOCJ-HNNXBMFYSA-N 446.578 6.886 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(-c2nc3ccccc3s2)o1 520195893 PLSCZHUAIKOPFP-HNNXBMFYSA-N 448.573 6.272 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(Cl)c2Cl)cc1 520590493 JFRXQMDIZSESPQ-UHFFFAOYSA-N 428.294 6.238 30 20 IKED COc1ccccc1[C@@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)N1CCCC1 520938117 QGRVAMOKEZNQGM-GHTZIAJQSA-N 438.597 5.048 30 20 IKED C[C@H](C#N)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 521602924 JPPPPYZLJKKEAV-GMYFBSLISA-N 440.503 5.252 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 522459659 QRPCWJVXFXIXGQ-WJOKGBTCSA-N 431.561 5.309 30 20 IKED Cc1nc(-c2ccc(CCNC(=O)c3occc3COc3cccc(C#N)c3)s2)cs1 522482476 NUYOQWYCGSLRRB-UHFFFAOYSA-N 449.557 5.196 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)cc1 523851847 AHPRRVNTWIQVLX-UHFFFAOYSA-N 435.487 5.052 30 20 IKED CC(=O)N[C@H](CC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N)c1ccc(C)cc1 524650461 BCVNXOMOYOEAOP-XMMPIXPASA-N 445.950 5.321 30 20 IKED COc1ccc(SCCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1OC 524819166 DQXSXSWIRRJBCQ-UHFFFAOYSA-N 448.544 5.275 30 20 IKED CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1 531869605 LTAYLINDOVZUBZ-SFHVURJKSA-N 436.577 5.293 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC=C(c2c[nH]c3cc(F)ccc23)CC1 532661631 KOVWHIXKRFDOIQ-QGZVFWFLSA-N 448.567 5.287 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)c1ccc(CC#N)cc1 533988744 HPEAEOLBGDACEC-ZDUSSCGKSA-N 440.366 5.438 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CC[C@@H](COCc3ccccc3)C2)cc1Cl 534156799 LSPMKQNSDAGYLX-HXUWFJFHSA-N 446.934 5.683 30 20 IKED C=C[C@@H](CC(=O)N[C@H]1CC[C@H](NC(=O)C[C@H](C=C)c2ccccc2)CC1)c1ccccc1 534722426 NTDZOAYAKBZVFY-JPMIEVGJSA-N 430.592 5.250 30 20 IKED COc1ccccc1[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccn1 535536589 CIUUPTVKVBECES-HXOBKFHXSA-N 432.549 5.396 30 20 IKED C[C@@H](N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(C#N)c(F)c1 537409675 VQQFZRPLMRIJKG-IQMFZBJNSA-N 442.943 5.194 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CN[C@H](C)c2ccc(-c3csc(C)n3)cc2)cc1 538179189 DXNWJPKPUUGZFN-GOSISDBHSA-N 448.592 5.115 30 20 IKED N#Cc1ccc(CN[C@@H](c2ccc(F)cc2)c2ccccc2I)s1 538400864 MCSJEMJBTOJGPT-IBGZPJMESA-N 448.304 5.243 30 20 IKED CCOC(=O)c1sc(N(C(=O)c2ccc(C3(C#N)CC3)cc2)c2ccccc2)nc1C 540736435 YTMCPFROOQGXNE-UHFFFAOYSA-N 431.517 5.162 30 20 IKED C[C@H](NCc1nnc(-c2c(Cl)cccc2Cl)o1)c1ccc(-c2cccc(C#N)c2)cc1 542012765 VRKVVYLXBWFXKN-HNNXBMFYSA-N 449.341 6.433 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 543350740 BFXRLULDKMTPPI-HXUWFJFHSA-N 447.457 5.361 30 20 IKED CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)N2CCC(CC#N)CC2)ccc1Cl 543826957 CAIXDMKPDWMVJH-UHFFFAOYSA-N 438.959 5.160 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccccc1SCc1csc(C)n1 553412105 YKJVAUHOJGMZBI-UHFFFAOYSA-N 428.579 5.048 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cc(F)c(F)cc1Br 554205697 HIWJBNNAJCTLLE-LLVKDONJSA-N 440.313 5.443 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(-c3ccc(Cl)cc3F)no2)CC1 556345153 DNCCTMMFNNTBJS-UHFFFAOYSA-N 439.834 5.033 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1C 558316521 PAAWCVYEQHZKNZ-UHFFFAOYSA-N 443.594 5.607 30 20 IKED CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 561878628 XHAWFDJTFWFUIG-UHFFFAOYSA-N 437.499 5.169 30 20 IKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nnn1CC1CCCC1 566836356 YDKGUCDWKOSCOH-OAQYLSRUSA-N 433.943 5.338 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N[C@@H](C3CC3)C(F)(F)F)s2)c(C(F)(F)F)c1 572917318 HGRLGRQKTOJDGF-AWEZNQCLSA-N 448.392 5.087 30 20 IKED Cc1ccc(Oc2ccccc2)c(NC(=O)C(=O)N[C@H](CCCC#N)c2ccccc2)c1 583387419 OLJUALBSEADRNR-JOCHJYFZSA-N 427.504 5.277 30 20 IKED Cc1noc(C)c1CSc1ccccc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 592973307 CNAMEYHOMYWDIJ-INIZCTEOSA-N 437.521 5.823 30 20 IKED C=CCn1c(SCC(=O)N2CCc3sccc3[C@@H]2C)nnc1-c1ccc(Cl)cc1 600814254 ZPWRMQNTMWCLCP-AWEZNQCLSA-N 445.013 5.084 30 20 IKED Cc1sc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(C#N)c1C 603445258 XSSJKGREKCFPHN-UHFFFAOYSA-N 442.894 5.159 30 20 IKED N#Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C#N)c(Cl)c3)s2)cc1Cl 603728310 NTXJZXIWEXTTQQ-UHFFFAOYSA-N 441.299 5.303 30 20 IKED CCN(C(=O)CCCC(=O)N(CC)[C@H](C)c1ccc(C#N)cc1)[C@H](C)c1ccc(C#N)cc1 603737417 GUUUXDDUYCLGJY-NHCUHLMSSA-N 444.579 5.119 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Nc3cnn(C[C@H]4CCCO4)c3)cc2Cl)cc1 604316383 CGKLBGKRBYTFSG-LJQANCHMSA-N 437.887 5.023 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(Cc4ccc(F)cc4)n3)cn2)cc1 604452031 GGQHXLADCASVOL-UHFFFAOYSA-N 444.491 5.113 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1 604488417 BPMSRVWCKYVCIF-UHFFFAOYSA-N 444.463 5.140 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccccc3Oc3cccnc3)c2)cc1 604523282 UAAWSMRQZWTPOJ-UHFFFAOYSA-N 435.483 5.771 30 20 IKED N#C[C@H](C(=O)c1ccc(NC(=O)CSc2cccs2)cc1)c1nc2ccccc2s1 605075266 WYWKFGADMAVMBG-MRXNPFEDSA-N 449.582 5.579 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)CCc1ccc(O)cc1 609078168 DZLKCFGQYWPEEC-IBGZPJMESA-N 429.520 5.294 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3cccc(Br)c3)cc2F)c1 609104117 FOKXSTRFVCNIHP-UHFFFAOYSA-N 439.284 5.220 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3nc4cc(Cl)ccc4s3)cn2)cc1 609326803 GTMNCLKDRZLPKM-UHFFFAOYSA-N 434.908 5.580 30 20 IKED N#Cc1ccccc1COc1cccc(CNCc2ccccc2CN2CCCCC2)c1 609432684 HYWHKZKKFLXTGU-UHFFFAOYSA-N 425.576 5.413 30 20 IKED CC(C)C[C@@H](C)Oc1cc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)ccn1 609556009 RHQGFWDWAJGLLQ-MSOLQXFVSA-N 426.586 5.611 30 20 IKED CCN(C(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1)[C@H](C)c1ccc(C#N)cc1 610151624 ISZVBUDXBPCSPO-LJQANCHMSA-N 426.520 5.734 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)COc1ccc(C#N)cc1 610156207 IRVHEKSBDDGRAN-UHFFFAOYSA-N 442.494 5.621 30 20 IKED Cc1ccc(C(=O)N(CC#N)c2ccccc2)cc1OCc1csc(Br)c1 610225787 NGOZPPBGNHWURW-UHFFFAOYSA-N 441.350 5.568 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3NC(=O)c3ccccc3)n2)cc1 613314425 OSJHJCYQKZYSMK-NRFANRHFSA-N 437.524 5.861 30 20 IKED N#C[C@H](C(=O)c1ccc(NC(N)=O)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346110 CZCKBRGYHXIYGV-CQSZACIVSA-N 431.304 5.098 30 20 IKED N#Cc1cc(Cl)c(C(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c(Cl)c1 613551985 LKSAMIQNUJFLDQ-HNNXBMFYSA-N 442.371 5.524 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(N)c3c(C)c(C)sc3n2)nnc1-c1ccccc1F 668997025 NKHSNMJEXIGUPG-ZDUSSCGKSA-N 440.573 5.327 30 20 IKED O=C(NCC1(c2ccc(F)cc2Cl)CC1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 677965245 SSXRQBLHOJKXHO-PHIMTYICSA-N 446.794 5.283 30 20 IKED N#Cc1cccc(COc2ccc(NCC(=O)Nc3cc(F)ccc3F)cc2Cl)c1 728052698 JZJOUEPLGXHGTK-UHFFFAOYSA-N 427.838 5.119 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1sccc1-c1ccccc1 731063320 JRZGTJKJZRNAON-INIZCTEOSA-N 436.558 5.462 30 20 IKED N#C[C@H](C(=O)CCCCOc1ccc(Br)cc1)c1nc2cc(F)ccc2s1 731293461 ZNEBMDYQOKEDID-MRXNPFEDSA-N 447.329 5.623 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cccc(C#Cc3cccs3)c2)ccc1OC 733618523 CZBPATYTQMHNHI-NRFANRHFSA-N 445.544 5.159 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(F)cc3Cl)n2)cc1 733682870 QOHBJADFTVUVTH-WBMJQRKESA-N 430.888 5.255 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1cccc(Cl)c1Cl 734979440 PKJBQMANOVSGKO-UHFFFAOYSA-N 426.229 5.700 30 20 IKED CSCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C)c(C)c1 735968889 LPRXCSSBTHOYDU-HXUWFJFHSA-N 441.622 5.017 30 20 IKED CC(C)(CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)NC(=O)OC(C)(C)C 739515436 UHFQSWKHAGPRHI-IBGZPJMESA-N 441.959 5.627 30 20 IKED CC(=NOCc1nnc(-c2cccc(C#N)c2)o1)c1ccc(OCc2ccc(C)cc2)cc1 742356238 KOCLHDRLINVFRW-UHFFFAOYSA-N 438.487 5.437 30 20 IKED CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2ccc(C#N)o2)NC(=O)N1Cc1cccs1 743740928 BUWPPEBJXBMURX-JOCHJYFZSA-N 446.532 5.009 30 20 IKED N#C[C@H](C(=O)[C@H]1CCSc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 744035004 JTNYYUBOEWTBDR-GOEBONIOSA-N 445.396 6.573 30 20 IKED CCCN(C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H]1CCc2ccccc21 747001157 JEYHNKNDMYYHME-FTJBHMTQSA-N 437.543 5.207 30 20 IKED CCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H]1CCN(c2ccccc2)C1=O 749225928 QCSAYAVIZGJUIR-JWQCQUIFSA-N 438.531 5.001 30 20 IKED CCOc1cc(C#N)ccc1OC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 751059462 HARRKXNGEUTKOK-UHFFFAOYSA-N 432.423 5.247 30 20 IKED CC(=O)Nc1ccc(C(C)=NOCc2ncc(-c3cccc(Br)c3)o2)cc1 754275483 DGRIADBEIMFQQP-UHFFFAOYSA-N 428.286 5.003 30 20 IKED O=C(/C=C/c1ccc(Br)c(Cl)c1)c1ccc(S(=O)(=O)CC(F)F)cc1 754828224 RAAVSAPXUUOSEU-KRXBUXKQSA-N 449.700 5.037 30 20 IKED C/C(=C\c1ccc(Cl)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 759206433 OIFMSOQMOKDLKQ-RLHAVTDZSA-N 430.891 5.883 30 20 IKED N#CCOc1cccc(CC(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)c1 760434858 OJCCMDOXUOCYCO-UHFFFAOYSA-N 426.394 5.581 30 20 IKED COC(=O)C1C/C(=C\c2cnc(C(C)C)s2)C(=O)/C(=C/c2cnc(C(C)C)s2)C1 761484805 BLLPAFJNVWRANS-VOMDNODZSA-N 430.595 5.466 30 20 IKED Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccc3c(c2)CCCC3)c1C 762438296 MUURQZRFYFOWQO-UHFFFAOYSA-O 440.592 5.665 30 20 IKED COc1cc(C#N)ccc1NC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 766644275 KTDYHZSDNDBJQD-CYFREDJKSA-N 445.544 5.060 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 776017173 SSCQMWBQVABAOY-OAHLLOKOSA-N 435.299 5.172 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NOCCC(F)(F)F)cs1 777458491 BKJGRQFCQFOUER-UHFFFAOYSA-N 425.354 5.149 30 20 IKED CC1(C#N)CCN(C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)c2cccs2)CC1 781027734 NHYZRADJYZKTAS-MOHJPFBDSA-N 442.584 6.020 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)cc1 786928917 HARYDRDAMZAHHA-JTSKRJEESA-N 449.551 5.186 30 20 IKED COc1cccc([C@H](C)CCCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 789404250 RBTNJTFHCOCLKW-RDTXWAMCSA-N 433.335 5.623 30 20 IKED CCc1nn(C)c(CC)c1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 791779104 XCAPTIQHXQLARF-HNNXBMFYSA-N 447.391 5.394 30 20 IKED C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)[C@H](C#N)c3nccc4ccccc34)cc2[N+](=O)[O-])C1 792090336 FJJYBIGAGBQENT-LLGFUMIMSA-N 428.492 5.115 30 20 IKED C=CCOc1ccc(/C=C2\SC(=S)N(CCSc3ccccc3)C2=O)cc1OC 799200753 JZTGZRRSVXFJKP-HKWRFOASSA-N 443.615 5.254 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc2ccccc2nc1Br 806462482 CJIIYSATDAYYCD-UHFFFAOYSA-N 442.361 5.385 30 20 IKED O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1cccnc1F 807221851 HHYKMVAAIGJWDK-NSHDSACASA-N 434.233 5.292 30 20 IKED N#C[C@H]1CC[C@@H](COC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)CC1 809092180 ZNSUIRRFYTYIDZ-FWSIMYTDSA-N 430.548 5.040 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)s1 810824202 UETSMYXZBIKXRM-CQSZACIVSA-N 445.560 5.996 30 20 IKED COc1ccc([C@@H](O)C2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)cc1 812936706 UQVMGISIDTULTJ-GAJHUEQPSA-N 439.581 5.067 30 20 IKED CC[C@H](Cc1ccccc1Br)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813211757 PPMXTJAEIARILE-IUODEOHRSA-N 425.248 5.308 30 20 IKED N#Cc1c(NC(=O)c2csc(COc3ccc(F)cc3)n2)sc2c1CCCCC2 822542904 KQTNAGFWUYEATR-UHFFFAOYSA-N 427.526 5.316 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N2c3ccccc3Sc3ccccc32)nnc1C1CC1 831937118 QPCAPGMSAMZROT-HNNXBMFYSA-N 434.590 5.652 30 20 IKED COc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3ccc(F)cc3)s2)c(OC)c1 839403209 IMSUBFBIGFIKSD-UHFFFAOYSA-N 440.525 5.001 30 20 IKED CCN(CC)C(=O)Nc1ccc(C(C)=NNc2ncc(C(F)(F)F)cc2Cl)cc1 914772107 KERWATFUHXJVHC-UHFFFAOYSA-N 427.858 5.464 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 915180686 QZUDARMRINARNL-GOSISDBHSA-N 436.265 5.265 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2ccc(F)cc2F)cs1 916248145 OGKUIWOAJZFZPM-UHFFFAOYSA-N 440.397 5.571 30 20 IKED CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916887948 QHMLAZHKBUCSAY-VXXKDZQQSA-N 438.540 5.126 30 20 IKED Cc1nn(CC(C)C)c(C)c1CCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916977457 RAZKLKOJWVZYOX-HXUWFJFHSA-N 441.000 5.742 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)cc1OC 919870289 HAKJBRDOHGESHQ-BQHJZSHBSA-N 443.927 5.123 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCN(C)C(=O)OC(C)(C)C 919905587 MIIDQUQDGGHOJU-UHFFFAOYSA-N 438.528 5.038 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ccc4occc4c3O)cc2)CCC1)C(F)(F)F 1790931246 VJIONGLCKRCREH-UHFFFAOYSA-N 444.409 5.005 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CC[C@H]3CNc4ccccc4C3)CCC2)cc1 1791246767 BTJMHZQMCIVRKU-NHCUHLMSSA-N 445.607 5.397 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3csc(-c4cccnc4)n3)CCC2)cc1 1791247718 GZRWTWHIHHWMND-KRWDZBQOSA-N 446.576 5.165 30 20 IKED Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)o1 1791947098 QYLQNKIDKMBRKZ-UHFFFAOYSA-N 447.922 5.104 30 20 IKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC(c2ccc(Cl)cc2)CC1 1793211136 NMGLGZCLRFAUIH-WWQXZPIASA-N 443.031 5.464 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3ccoc23)[C@H]1c1cccnc1 1802499027 FKBIXATXHBLIDM-GGAORHGYSA-N 445.563 5.140 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2c(C)cc(C)cc2C)[C@H]1c1cccnc1 1810177877 IGEJIGJWWWXNKC-MZKUHISZSA-N 445.607 5.095 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3C(C)(C)C)C2)CC1 1810296971 GKJOQNKVMWYCSX-UHFFFAOYSA-N 439.644 5.216 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(F)ccc3s2)n[nH]1 1819078918 QELQOWJXPSIAJF-KSSFIOAISA-N 440.544 5.282 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3cc(C)[nH]c23)[nH]n1 1819555073 XYXPDCOEEOAGKJ-OAQYLSRUSA-N 447.583 5.498 30 20 IKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCCCC(C)(C)C)n[nH]1 1822113838 DVSWTFJWUVOQKS-ICSRJNTNSA-N 447.624 5.199 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C3CC3)cc2)CC1 1828827330 LJQBMSMJKXBNQW-IZZNHLLZSA-N 434.624 5.566 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)cc2C)CC1 1828829997 OQZUOHKFLOYSGH-UPVQGACJSA-N 426.576 5.136 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2)CC1 1830025885 RNXNLZZYFXQOIH-PKTZIBPZSA-N 429.004 5.342 30 20 IKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)cc1 1830061991 LJXKEJORPDICLJ-DEOSSOPVSA-N 449.982 5.067 30 20 IKED CCOCCCn1c(S[C@H](C)C#N)nc2scc(-c3ccccc3Cl)c2c1=O 9361943 SJWMLSSVUWTWPJ-CYBMUJFWSA-N 433.986 5.209 30 20 IKED Cc1c(Cl)cccc1-n1c(SCc2ccc(C#N)cc2F)nnc1-c1ccncc1 9968370 DDQQXTUEZCRFJK-UHFFFAOYSA-N 435.915 5.594 30 20 IKED Cn1ccnc1[C@@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1F 18236738 IXQPYAWROUZKKS-INIZCTEOSA-N 445.338 5.116 30 20 IKED CCN(CC)[C@@H](CNC(=O)c1ccccc1-c1ccccc1C#N)c1cccc(OC)c1 21072435 HEGPRWBJQHTAPC-SANMLTNESA-N 427.548 5.047 30 20 IKED Cc1cc(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2ccc3c(c2)CCCC3)c(C)[nH]1 23603572 FFNHGEPOQGGXLS-UHFFFAOYSA-O 446.640 5.972 30 20 IKED CCN(Cc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1)C(C)=O 27041979 JWFXYMNZMHFPDD-UHFFFAOYSA-N 429.545 5.330 30 20 IKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(C[C@H](C)c3ccccc3)o2)cc1C 29378205 ILMIWKKWLOYDFH-IBGZPJMESA-N 434.565 5.072 30 20 IKED COCCOc1c(Cl)cccc1NC(=O)c1ccccc1Sc1ccccc1C#N 60130813 KDCGCYAICVZYHV-UHFFFAOYSA-N 438.936 5.640 30 20 IKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(CCC#N)Cc3cccnc3)cc12 60625123 KFYAEVHTKAVODQ-UHFFFAOYSA-N 449.967 5.059 30 20 IKED N#Cc1ccsc1NC(=O)c1cc2cc(Br)cc(Br)c2o1 64379959 BQYDYBBXKLNSAE-UHFFFAOYSA-N 426.089 5.143 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1 116525360 PHRDARMZARXHOH-UHFFFAOYSA-N 437.293 5.303 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1nc(-c2ccncc2)cs1 195662806 USFPGXIGVRUHLV-OAHLLOKOSA-N 440.315 5.188 30 20 IKED N#Cc1cc(Nc2cccc(C[S@](=O)C3CCCCC3)c2)nc2ccc([N+](=O)[O-])cc12 302632705 GVIZGZYVRMVPLR-HKBQPEDESA-N 434.521 5.340 30 20 IKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 303371512 KEGVPPQJTJUXDE-SFHVURJKSA-N 449.366 5.449 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 303374298 UFDIKDMNOPWXIJ-MJGOQNOKSA-N 429.545 5.226 30 20 IKED COc1ccc2[nH]cc(C(=O)/C=C/c3cccc(NC(=O)c4ccccc4Cl)c3)c2c1 303625283 NTRNGIZXBKZHJY-FMIVXFBMSA-N 430.891 5.978 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)cc1 303837270 PSHIOMVBYSYFQN-VQTJNVASSA-N 434.898 5.866 30 20 IKED C[C@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1cccc(OCc2ccccn2)c1 431814912 PYHGUBKZCLBEEC-CPJSRVTESA-N 428.536 5.456 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1ccccc1 433264645 BFLHCKRZWRCECX-GOSISDBHSA-N 429.311 5.131 30 20 IKED Cc1c(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)sc2nc(C(F)(F)F)ccc12 436328893 AKCXUYDURUWUMZ-DLBZAZTESA-N 429.467 5.536 30 20 IKED CC1(C)[C@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)[C@@H]2CCCO[C@H]21 437962423 ZVDLTXMOCQKZJT-VLCRHTCISA-N 439.943 5.116 30 20 IKED CS(=O)(=O)c1ccc(-c2nc(CSCc3ccc(C#N)cc3Cl)cs2)cc1 438880215 TWYXLXDJRVFTFN-UHFFFAOYSA-N 434.995 5.172 30 20 IKED CCCc1c(NC(=O)Nc2ccc(C)c(-c3ncco3)c2)cnn1-c1cccc(C#N)c1 439683035 FNCRNNUXGKGVHR-UHFFFAOYSA-N 426.480 5.304 30 20 IKED O=C(CN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)Nc1ccc(F)c(F)c1 444740637 WMUGKIBEGKHSKO-HNNXBMFYSA-N 426.307 5.205 30 20 IKED FC(F)n1c(CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)nc2ccccc21 444743662 MEXBAMYPRGOTCC-CQSZACIVSA-N 437.334 6.234 30 20 IKED C=C[C@@H](Cc1nc(CC(=O)Nc2ccccc2Oc2ccccc2)no1)c1ccccc1 445328332 PFXLJZJBOGBVNJ-IBGZPJMESA-N 425.488 5.555 30 20 IKED Cc1nc(CNC(=O)c2ccccc2-c2ccccc2C#N)oc1-c1ccc(Cl)cc1 447268805 XXJCSGAEMCXHHX-UHFFFAOYSA-N 427.891 5.772 30 20 IKED C=CCn1c(SCc2nc(Cc3cccc(F)c3)no2)nnc1-c1ccc(Cl)cc1 447301222 ICZONJZGZTYHGO-UHFFFAOYSA-N 441.919 5.190 30 20 IKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)CS[C@@H](C)CO)c3C#N)C(C)(C)C2)o1 463221607 IAJQRLYPQWVBLH-LYASGUKUSA-N 442.606 5.352 30 20 IKED COc1cc2nc(C)sc2cc1NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 465453925 QCWGZQRRLVXCOG-UHFFFAOYSA-N 445.548 5.260 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1 468761183 AOTSBFMCSUFHKE-UHFFFAOYSA-N 442.490 5.011 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Cl)cc1-c1ccc(Cl)cc1 471389342 IONJCJNXJFNJPS-UHFFFAOYSA-N 441.362 5.959 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)N(Cc3cccc4ccccc34)C3CCCC3)CC2)o1 472915770 CDRUFTFKJDJFKA-UHFFFAOYSA-N 442.563 5.196 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)n1 474444824 JKUHKXGTIYJYDZ-HNNXBMFYSA-N 437.525 5.205 30 20 IKED COc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1cccc(OCCCC#N)c1 474964390 IZFYQGHETMLRSF-UHFFFAOYSA-N 425.872 5.247 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(I)c(F)cc1F 476124689 WLKLHWUMWFCBRZ-UHFFFAOYSA-N 441.259 5.674 30 20 IKED CC(C)(C)Oc1cc(F)ccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 479129337 JMZRSUJNOZTYLN-UHFFFAOYSA-N 429.467 5.089 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)CSc3nccc4ccccc34)c2)c1 480509152 KQYVKTBYDBXBEL-UHFFFAOYSA-N 438.512 5.090 30 20 IKED CC[C@@H](C)n1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1C 480998058 KUOXPXFECGBVAA-ABAIWWIYSA-N 433.364 6.083 30 20 IKED CCS[C@@H]1CCCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 481379565 LRBNIJCITFQYRD-HXUWFJFHSA-N 427.545 5.416 30 20 IKED CCCOc1ccc(CN(Cc2ccccc2)C(=O)Nc2cc(C)n(CCC#N)n2)cc1 481463743 ZIFJUAKDPOHXIR-UHFFFAOYSA-N 431.540 5.128 30 20 IKED C[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 482288799 SZEPYBXAZUWWOZ-HHHXNRCGSA-N 444.579 5.245 30 20 IKED COCCCN(C)C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482349872 UWNZTPHPBPUUFF-LBPRGKRZSA-N 440.306 5.006 30 20 IKED C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482448301 RGWXKXLMQDJMJF-HWPZZCPQSA-N 438.343 5.572 30 20 IKED CN(C(=O)c1ccc(NC(=O)CSc2ccc(C#N)cc2)cc1Cl)C1CCCCC1 482788767 NIFNSRRVEWYDIK-UHFFFAOYSA-N 441.984 5.347 30 20 IKED Cc1nc2cc(Cl)c(NC(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)cc2s1 483359709 XYLUEBKDSMGZQG-UHFFFAOYSA-N 444.919 5.344 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3cc(Cl)c(F)c(Cl)c3)CC2)c(F)c1 483571581 CIKZVWFDACWIBT-UHFFFAOYSA-N 426.250 5.219 30 20 IKED Cc1cc(F)c2nc(O)cc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c2c1 483845950 KAQDPPGXIJECCW-UHFFFAOYSA-N 428.423 5.008 30 20 IKED C=CCn1c(SCc2nc(-c3cc(F)c(F)c(F)c3)no2)nnc1-c1ccc(F)cc1 486641159 ZNCCIPQWLVOOQM-UHFFFAOYSA-N 447.417 5.030 30 20 IKED CC(C)c1ccc(-n2cnnc2SCC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 487252458 QUUTYCCPHQGHRK-QFIPXVFZSA-N 433.581 5.034 30 20 IKED C[C@H](N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)C(=O)N(CCC#N)c1ccccc1 488010645 WSUDXJBKHQKADR-DFBJGRDBSA-N 433.502 5.174 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)nnc1-c1cccc(OC)c1 488912093 PIZRCXYZUUKMBE-ZDUSSCGKSA-N 446.935 5.052 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)c3nnc(-c4ccc(C)c(C)c4)o3)o2)cc1 489787225 MZVFARQPAJBFTD-INIZCTEOSA-N 434.521 5.822 30 20 IKED CCN(C(=O)c1cc(NC(=O)N[C@@H](CCC#N)c2ccccc2)ccc1Cl)C(C)C 490519240 GMFJWQBKNLBJRN-NRFANRHFSA-N 426.948 5.377 30 20 IKED CCn1c(NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)nc2cc(C#N)ccc21 490769483 OMDMQDSTOUQATM-UHFFFAOYSA-N 437.931 5.208 30 20 IKED Cn1c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c(Cl)c2ccccc21 491551516 UOLNIYYSNJBYTF-UHFFFAOYSA-N 439.953 5.099 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 494050605 RALIBQLVXVHWMZ-FRGLQRNOSA-N 431.565 5.185 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(CCO)Cc1cc(Br)cs1 494928458 GLATUNKKFDDYNJ-UHFFFAOYSA-N 437.403 5.389 30 20 IKED CC(C)(C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1csc(-c2ccccc2F)n1 495380618 WYATWPIIVJZSDJ-UHFFFAOYSA-N 431.536 5.414 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 499883555 AGWGSGKEUJEPFL-BEFAXECRSA-N 447.507 5.288 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1ccc(COc2ccc(Br)cc2)o1 500547251 CUKPIYDEFWDOOJ-UHFFFAOYSA-N 441.281 5.144 30 20 IKED CCOc1cc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc(OCC)c1OCC 505944027 QHCROEMHIWPIIV-QGZVFWFLSA-N 437.323 5.184 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1 508150006 VFOAHGZCPALYOH-UHFFFAOYSA-N 426.516 5.332 30 20 IKED C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(c2c[nH]c3ccccc23)CC1 508463643 ILPYYXOSUYGFOH-UHFFFAOYSA-N 443.551 5.014 30 20 IKED CC(C)CC(=O)Nc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 508587452 LDZJEKCZDWEZLH-UHFFFAOYSA-N 427.504 5.374 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)s2)cc1 512966331 IIGZRNIZBKDIMC-OAHLLOKOSA-N 437.540 5.293 30 20 IKED CN(C(=O)c1cc(F)c(F)c(F)c1F)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 513397575 WBHZZUUQSGIXDQ-UHFFFAOYSA-N 444.306 5.726 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccc(C(F)(F)F)cc1 514452022 YYJBULMZPAEOAF-UHFFFAOYSA-N 427.382 5.090 30 20 IKED C=CCN(C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1nc2c(s1)CCCC2 518168709 ARCKLEYMGBQUQU-UHFFFAOYSA-N 447.589 5.164 30 20 IKED C=C(C)CN1CCC(NC(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)CC1 518552042 MACKSYOYOBXQDP-JOCHJYFZSA-N 432.992 5.469 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 518755673 MCHQJHYCXMKFKI-MRXNPFEDSA-N 437.515 6.270 30 20 IKED Cc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 519431635 IASDPUNYLQPNLZ-ZDUSSCGKSA-N 441.906 6.112 30 20 IKED COCCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H](C)c1ccccc1 520179212 UQHUWTREWJRFRB-NRFANRHFSA-N 443.547 5.573 30 20 IKED CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(Br)cc1Cl 521954414 MBORNGWGFQJROB-UHFFFAOYSA-N 442.700 5.438 30 20 IKED Cc1cc(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)ccc1Oc1cccnc1 523616823 LXSDVTQDMGANJD-UHFFFAOYSA-N 442.519 5.566 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C(C)C)nc4onc(C)c34)n2)cc1 523959130 MJLJTYLCYNQGHY-QGZVFWFLSA-N 432.505 5.277 30 20 IKED Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c2c(C(C)C)noc2n1 524388282 UVRCQTOZSCDYDU-UHFFFAOYSA-N 440.503 5.666 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)Cc1ccc(C#N)cc1 524967124 ISMMLOCTQKIICV-UHFFFAOYSA-N 426.495 5.785 30 20 IKED N#Cc1ccccc1COc1cccc(CN[C@H](c2cccc(Cl)c2)c2ccccn2)c1 532374670 NHWJOTASBXVWRB-HHHXNRCGSA-N 439.946 6.065 30 20 IKED N#CCCn1cc(CNCCc2csc(-c3ccc(Cl)cc3)n2)c(-c2ccccc2)n1 536163445 SABBKEBICUOWSA-UHFFFAOYSA-N 447.995 5.573 30 20 IKED C=CCN(C(=O)C1C[C@@H](C)O[C@H](C)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 537711043 RYMHEPHNQNJNOX-CHWSQXEVSA-N 425.381 5.840 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1cccc(F)c1)C1CCCC1 540430741 RETDZJSDIOOQMX-XDHUDOTRSA-N 425.573 5.537 30 20 IKED CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 541086590 XMUHPVXJWGLECT-SFHVURJKSA-N 426.520 5.246 30 20 IKED CCCc1c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cnn1C1CCCC1 543141909 PQAAMYLXMDAGQZ-UHFFFAOYSA-N 441.535 5.327 30 20 IKED Cc1cccc([C@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c2ccccn2)c1 543891785 JBWSJNDEJDRWPG-QHCPKHFHSA-N 442.910 5.012 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(-c2nc(-c3ccccc3NC(=O)C3CC3)no2)cc1 546998265 RRKLOUHGCFPVFI-UHFFFAOYSA-N 440.434 5.555 30 20 IKED CCCCOc1c(Cl)cc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1OCC 548774729 LJUCITWHXUGORI-UHFFFAOYSA-N 441.959 5.010 30 20 IKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 550633420 RFXQWJFJJSTKCI-UHFFFAOYSA-N 429.373 5.251 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](c2cccc(F)c2)C1 552305143 XWKWHTSEEVCBOL-QFIPXVFZSA-N 429.495 5.606 30 20 IKED N#CC1(NC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CCCCC1 552817767 AGJMPZQYGUUTJE-NBVRZTHBSA-N 446.532 5.478 30 20 IKED C[C@@H](NC(=O)NCCSCc1ccccc1C#N)c1ccc(Oc2cccnc2)cc1 554237010 ANSGGDBORSAOPA-GOSISDBHSA-N 432.549 5.039 30 20 IKED C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 554436043 WTNFKUZVECNFLS-KRWDZBQOSA-N 442.523 5.208 30 20 IKED CC1(C(=O)N2CC[C@@](C)(c3ccc(F)cc3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 557662867 BOWTYQCHRPFWBA-RUZDIDTESA-N 439.962 5.147 30 20 IKED Cn1nccc1[C@@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 558746252 MKTYZTFZKKSTOJ-NQIIRXRSSA-N 433.943 5.140 30 20 IKED CC1(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CCN(c2ccc(Cl)cc2C#N)CC1 562863212 ANSJSAGNSKENER-UHFFFAOYSA-N 443.885 5.271 30 20 IKED N#Cc1ccc(NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)cc1Br 564169755 IUYDMNXLBIGDMB-UHFFFAOYSA-N 436.187 5.247 30 20 IKED N#Cc1ccc(CNCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c(C(F)(F)F)c1 574028015 DPEXVDVHTQZBQU-KRWDZBQOSA-N 427.495 5.596 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1nc(C(F)(F)F)cs1 575137262 ZIGPFNAGAHEYGV-LLVKDONJSA-N 433.415 5.104 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccccc1CSc1nc2ccccc2[nH]1 576300404 GYRULKNYJLEDQQ-UHFFFAOYSA-N 447.560 5.159 30 20 IKED COc1cccc(NC(=O)[C@@H](Sc2nc3c(cc2C#N)CCCC3)c2ccccc2)c1 585688266 HMIVPXLHIGYWGE-QHCPKHFHSA-N 429.545 5.313 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4c(F)cccc4F)n3)n2)cc1 587988831 VPUZRBBJQZDUCG-CQSZACIVSA-N 437.496 6.010 30 20 IKED N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)c1cc(C(F)(F)F)ccn1 589794947 DSKIFIRVPXNHMZ-MRXNPFEDSA-N 435.427 5.533 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc([C@H](CC)c2ccccc2)o1 589891567 QAHLIPARPHAUFK-VQIMIIECSA-N 427.595 5.368 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC(Cc2cccc(C(F)(F)F)c2)C1 590116412 NRENERWRZHEHRZ-HNNXBMFYSA-N 433.499 5.664 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 592974110 ODGGILRQSILXMU-HNNXBMFYSA-N 425.485 5.420 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(C)cc2-c2nc3ccccc3[nH]2)cc(OC)c1OC 599528014 CVKUDLBCSGPHSA-UHFFFAOYSA-N 427.504 5.536 30 20 IKED COc1cc([C@@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)ccc1OC(C)C 603682071 AESLERKNKZMOLF-HXUWFJFHSA-N 430.548 5.784 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 604116549 SBEQXIPMTADKIU-UHFFFAOYSA-N 437.352 5.045 30 20 IKED CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cccc(Cl)c1 604464501 DCAAEPWEXLJZAY-QFIPXVFZSA-N 433.895 5.210 30 20 IKED CN(CCc1cccc2ccccc12)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 608796873 IYXUKWWGDLXFFI-UHFFFAOYSA-N 449.510 5.143 30 20 IKED CCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cnn1-c1ccccc1 609060743 CUPHJARFFFHPJS-UHFFFAOYSA-N 436.515 5.446 30 20 IKED Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 609065140 ZVPIJAFUJKMMPE-UHFFFAOYSA-N 429.501 5.343 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3occc3CN3C(=O)Cc4ccccc43)c2)cc1 609176498 NESMZKWADCHYHJ-UHFFFAOYSA-N 449.466 5.285 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](c1ccccc1)N1CCc2ccccc21 609377828 OFSVABJMJBCNIJ-KBMIEXCESA-N 427.573 5.681 30 20 IKED Cc1ccccc1Oc1ccccc1CNC(=O)CCC(=O)N(CCC#N)c1ccccc1 609421495 BFGAITYWFNHBCH-UHFFFAOYSA-N 441.531 5.131 30 20 IKED N#C[C@@H](NC(=O)CCc1ccc(-c2ccccc2F)o1)c1ccccc1Br 609593847 KHJXNQURXOBASB-LJQANCHMSA-N 427.273 5.162 30 20 IKED Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C(C)C 609945553 GCTKELGALKCJRR-DEOSSOPVSA-N 427.504 5.111 30 20 IKED CCc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)o1 610087010 KKHOESGRABZWQK-QGZVFWFLSA-N 426.460 5.038 30 20 IKED Cc1ccc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1OCCC(C)C 610097267 CCUQMPOVNBIFFD-UHFFFAOYSA-N 448.567 5.174 30 20 IKED COCCN(CCC#N)C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1 610559896 LSJPKCQFGHRYDF-UHFFFAOYSA-N 425.382 5.031 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cc(-c4ccccn4)ccc3Cl)cn2)c1 611111157 ODXDHPWNGBYFIW-UHFFFAOYSA-N 426.863 5.713 30 20 IKED CC(C)Cn1ncc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1C(F)F 611169142 REDHEGPMIVYQCH-UHFFFAOYSA-N 426.427 5.180 30 20 IKED CC(C)N1CC[C@@H](NC(=O)c2c(Cl)cc(C#N)cc2Cl)[C@@H]1c1ccc(F)c(F)c1 611519586 QKBJKVZUPWYDAM-QUCCMNQESA-N 438.305 5.097 30 20 IKED CCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cnn1-c1ccc(F)cc1 613319432 ZQZQOEMELRZDGX-IBGZPJMESA-N 430.508 5.496 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(SC)cc2)nnc1-c1ccccc1F 613390296 VSFNLSXHXQDKOH-AWEZNQCLSA-N 428.558 5.111 30 20 IKED CC(=O)Nc1cc(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)ccc1C 613394148 KPBZKMUEUYQKEX-JQZCCEMDSA-N 433.577 5.368 30 20 IKED COc1ccc(NC(=O)[C@H](NCc2ccc(C#N)c(Cl)c2)c2ccccc2)cc1Cl 619746788 LAHGTPJENSRJCX-JOCHJYFZSA-N 440.330 5.343 30 20 IKED C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccccc1 619818689 JSQSEXYBKZDRBG-MHECFPHRSA-N 435.959 5.250 30 20 IKED O=C(c1cc(F)c(C(F)(F)F)c(F)c1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 622502569 VCBPGVLOLNWDAS-OAHLLOKOSA-N 439.302 5.216 30 20 IKED Cc1nc(CSc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc2)cs1 642281346 BRBFPACINAVZPF-HXUWFJFHSA-N 447.610 6.357 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)ccc1NC(=O)c1cccs1 677564510 QGMPJUFSSIMFPK-OAHLLOKOSA-N 435.505 5.548 30 20 IKED O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)N1CCc2c(F)cc(F)cc2C1 678553905 APVZQXZEBPHVPE-UHFFFAOYSA-N 446.326 5.085 30 20 IKED C=CCn1c(SCC(=O)c2cc(C)n(CC(F)(F)F)c2C)nnc1-c1cccc(C)c1 684987390 VEPNQVWOWBNXMX-UHFFFAOYSA-N 448.514 5.395 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C/c3csc(-c4ccccn4)n3)SC2=S)cc1Cl 726626619 IRGKBNOOGGUPCX-APSNUPSMSA-N 440.962 5.136 30 20 IKED Cc1c(C(=O)/C=C\c2csc(-c3ccc(F)cc3)n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 727266763 FCUUZPQNZJESOP-FPLPWBNLSA-N 427.413 5.279 30 20 IKED CC(C)(C)C1C/C(=C/c2cccc(OCC#N)c2)C(=O)/C(=C\c2cccc(OCC#N)c2)C1 727744985 OAPHEXMMMINTHC-VMTNTFKOSA-N 440.543 5.984 30 20 IKED N#Cc1c(NC(=O)c2sc(N3CCCC3)nc2Cl)sc2c1-c1ccccc1CC2 728164681 GXCYJBDBVZWQST-UHFFFAOYSA-N 440.981 5.348 30 20 IKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccco2)c1 730528526 RKIBAGGJRJGMFL-OAQYLSRUSA-N 433.533 5.003 30 20 IKED Cc1nc(-c2ccccc2)[nH]c1C(=O)/C=C\c1ccc(OCc2occc2C(=O)O)cc1 730948968 PMFZQKJRBNWIJA-XFXZXTDPSA-N 428.444 5.151 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc(F)cc2)o1 731065220 ZXDVABDMQBHPOC-HNNXBMFYSA-N 438.480 5.133 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC=C(c3cccc4ccccc34)CC2)c1 733804929 LJJQKUFICAAHPP-HSZRJFAPSA-N 425.532 5.520 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H](c2ccccc2)C2CCOCC2)cc1 734351235 CBZFMUFMPDNGIC-RUZDIDTESA-N 430.479 5.387 30 20 IKED C#CCCN1CCC(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CC3)CC1 740738814 OCRNBCHRJJZFMD-HNENSFHCSA-N 441.600 5.001 30 20 IKED Cc1cc(C)cc(-c2ccc(C=Nn3c(SCC(=O)O)nnc3-c3ccoc3C)cc2)c1 741462638 SJTPPMZCJLVCKQ-UHFFFAOYSA-N 446.532 5.189 30 20 IKED CC(C)c1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)c1ccc(S(C)(=O)=O)c(F)c1 741846315 CYVVVFCUFUXBNZ-ZHACJKMWSA-N 446.931 5.088 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)c3ccc(Br)s3)n2)cc1 744032685 WBSNMCKKEAKATI-OCCSQVGLSA-N 431.380 5.923 30 20 IKED C[C@H](OC(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl)C(=O)Nc1ccccc1C#N 744785063 WULBWDWSAVVHMR-VIFPVBQESA-N 431.197 5.068 30 20 IKED C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 747108948 NBERJQOULSMAIX-BBRMVZONSA-N 433.961 5.143 30 20 IKED C=CCC[C@@H](NC(=O)N(C)Cc1nc(O)c2ccccc2n1)c1ccc(C(F)(F)F)cc1 750440470 AAUIZMVSKAQZIH-GOSISDBHSA-N 444.457 5.203 30 20 IKED N#C[C@H](COC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Cc1ccccc1 750782090 GKFUHJPMPJMVBJ-YKSBVNFPSA-N 446.934 5.127 30 20 IKED COc1cc(OC)c(C(=O)/C=C\c2ccc(OCC(F)(F)F)c(OC)c2)cc1Cl 750900192 KGVYPQCREKUSJR-XQRVVYSFSA-N 430.806 5.203 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nc(Cc2ccccc2)no1 752637988 VKQAZRGDJKAVBI-FDDCHVKYSA-N 437.503 5.199 30 20 IKED C/C(=C/C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1OC(F)F 753204424 NGGMYMBHCYKVRT-CIYHXPSUSA-N 431.323 5.281 30 20 IKED COc1cccc([C@H](C)CC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 753397040 XKGGTKXOKBAWSN-XMSQKQJNSA-N 428.488 5.329 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)O[C@H](C)c2nc(-c3cccnc3)no2)cc1 757152746 VHTXICDWICUDCL-MRXNPFEDSA-N 426.432 5.022 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc3ccccc3c2O)cs1 757473332 CTMLTOLCEWFLET-UKTHLTGXSA-N 448.931 6.236 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 758783101 RLJOTZDYRBFVAX-GHTZIAJQSA-N 449.551 5.116 30 20 IKED COc1ccc(C(=O)CC(C)(C)CC(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1 760181449 QEOMOSHLHQAGAU-HXUWFJFHSA-N 430.504 5.066 30 20 IKED Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=S)Nc2ccc(C#N)c(Cl)c2)c1 767695471 CEERRYSEAPOYFT-HSZRJFAPSA-N 435.980 5.453 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H]2CCc3c(F)ccc(Br)c32)ccc1OC 772984946 HCUBTQATYWEEDQ-KDOFPFPSSA-N 433.321 5.055 30 20 IKED CCN(C(=O)c1cccc2c1CCCN2C(=O)OC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 778569633 OANHKHUVTNHASA-SFHVURJKSA-N 433.552 5.469 30 20 IKED Cc1ccc(C2(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CCOCC2)cc1 779193725 HQIBFKGDQHBHKM-KRWDZBQOSA-N 444.478 5.548 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCCc3cn(C4CCCC4)nc32)cc1 780486188 QJIOLCZHVHQQFQ-LOSJGSFVSA-N 439.563 5.853 30 20 IKED C#CCN1CCC(C(=O)Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)CC1 781446804 CXROVLWRKWDFSG-UHFFFAOYSA-N 425.941 5.026 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(OC2CCCC2)nc1 781762055 ARWQEXRFAJPQFD-OAQYLSRUSA-N 441.487 5.156 30 20 IKED Cc1cc(Br)cc2cc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)oc12 783077621 VWXSFYHBDWWWCT-GOSISDBHSA-N 447.288 5.618 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1CNc1ccc2c(c1)CCC(=O)N2CCCC#N 786826848 NSCWQYYWHMULQN-UHFFFAOYSA-N 447.970 5.088 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)[C@H](C)c1cn(C)c2ccccc12)c1ccc(Cl)cc1Cl 787052649 MTGQKVZIYLNZLG-QWQRMKEZSA-N 442.346 5.175 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 791884294 YQRCWAGMHAPDEM-JTQLQIEISA-N 444.207 5.283 30 20 IKED N#C[C@H](C(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1cnc2ccccc2n1 792111592 VRPBGVZUIZMPKE-XDHUDOTRSA-N 431.854 5.419 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2CC[C@H](Sc3cccc(Cl)c3)C2)c1=S 793779059 GQNVGIBVYSSTKB-IBGZPJMESA-N 444.029 5.140 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(-c2cccc3cccnc23)cc1 796779231 KNHCCOKFXHKIFM-QFIPXVFZSA-N 425.875 5.516 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cc(F)c(Br)c(Cl)c1 796799583 RJDBCAIUEDURJP-CQSZACIVSA-N 445.675 5.356 30 20 IKED CC(C)(C(=O)OC[C@H](C#N)Cc1cccs1)c1csc(-c2c(F)cccc2F)n1 797014084 ANWIPHROWQSPTQ-ZDUSSCGKSA-N 432.517 5.353 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4cncc(Br)c4)CC3)n2)cc1 798815729 AHALADYDEOVUIB-KRWDZBQOSA-N 438.350 5.184 30 20 IKED C[C@@H](Cc1cncc2ccccc12)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 805857862 IQLQKJIVPBQNNS-SCLBCKFNSA-N 439.462 5.918 30 20 IKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2ccc(C#N)cc2C(F)(F)F)cc1 811635892 PQPHSTLRXXQWDC-UHFFFAOYSA-N 445.470 5.042 30 20 IKED CNC(=O)c1ccc(/C=C(\C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cc1 912859118 BBFOLBJWVCUMGR-QNGOZBTKSA-N 446.934 5.221 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 916159162 KWIRSXJOMNPNGD-HSZRJFAPSA-N 445.450 5.001 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2COc3ccccc3C2)cc1Cl 916200014 RYETULWUVSFFPJ-VGOFRKELSA-N 431.923 5.368 30 20 IKED CC(C)(C)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1[N+](=O)[O-] 916886521 HLDZQGWLNMHYDC-OAHLLOKOSA-N 447.463 5.168 30 20 IKED COc1ccc2c(CC(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)coc2c1 916912483 ZNQVINZAACRJJU-OAQYLSRUSA-N 440.455 5.124 30 20 IKED CCOc1ccc(OCCCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917044158 QZHNDPXBNHTMRR-KRWDZBQOSA-N 448.466 5.749 30 20 IKED C[C@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 918407232 JRBQULHCDKDALR-JPYJTQIMSA-N 437.499 5.246 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/C2=Cc3cc(Br)ccc3OC2)S1 920065271 XIWNHMUFLITMIV-NVMNQCDNSA-N 441.350 5.276 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Sc3ccc(Cl)cc3)n2)cc1 920138868 LLFLGRUIMCVTEG-FZKQIMNGSA-N 428.966 5.829 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)n2)cc1 920139551 USXQJPHDXNKMIT-IBGZPJMESA-N 449.532 5.656 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C)n(-c4ccccn4)c3C)n2)cc1 920144072 XGVSBZZBRUXLDQ-FQEVSTJZSA-N 428.517 5.111 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2occc2CSc2ccccc2)cc1 927811841 HHWJIIUNBJIRAL-IBGZPJMESA-N 448.544 5.373 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4[nH]c(C)cc4c3)CCC2)cc1 1786367127 ATSCXLGVBIZPLN-UHFFFAOYSA-N 445.563 5.207 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)C34CC(C(F)(F)F)(C3)C4)cc2)CCC1 1786461862 ZYJPISMYSYJMQF-UHFFFAOYSA-N 442.428 5.065 30 20 IKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccoc4Cl)cc3)CCC2)c1 1790205321 XSAGHXNJHGLDHH-UHFFFAOYSA-N 447.922 5.185 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@@H](C)c3ccccc3)cc2)CCC1 1791339303 IUDBUKJJHDREJJ-UXHICEINSA-N 435.568 5.115 30 20 IKED CC(C)[C@H](C(=O)Nc1ccc(C2(NC(=O)C3(C#N)CC3)CCC2)cc1)c1ccc(F)cc1 1791506092 PGLUODSZJQMUJJ-QFIPXVFZSA-N 433.527 5.003 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](CCC)n2cccc2)n[nH]1 1818059233 GFMGKIDQLMDSQF-BAGYTPMASA-N 437.588 5.013 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sccc2Cl)n[nH]1 1819957047 GVBGLDUMQUXSCK-YOEHRIQHSA-N 432.977 5.199 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2coc(C(C)C)n2)CC1 1825419263 QNMIVGLBMAUSIV-NRFANRHFSA-N 429.605 5.024 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3cccc(Cl)c3)CC2)CC1 1828340077 XSLHKBHNHBQFJI-WMZHIEFXSA-N 443.031 5.204 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)ccc2C)CC1 1830625605 UAIKZYCXVBBEPI-ZCYQVOJMSA-N 438.612 5.005 30 20 IKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1831859829 ZPWLXMJEHYZYFG-IBGZPJMESA-N 442.909 5.168 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832627873 KLZXDVPJSDOUHR-PXDATVDWSA-N 449.639 5.539 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)ccc(Cl)c2F)CC1 1832687521 CPNYYPIRGOUGRU-BEFAXECRSA-N 438.946 5.064 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2)c2ccccc2)nnc1-c1ccoc1C 12723869 MHVVHVNSPIMJDV-NRFANRHFSA-N 430.533 5.505 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(C)C)nc2sc(C)c(C)c2c1=O 16715519 MPNOAFXTTYDBGH-MRXNPFEDSA-N 441.622 5.504 30 20 IKED CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N 26142600 JTJCUHUCBWTFNF-GFCCVEGCSA-N 447.438 5.349 30 20 IKED Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc(C)cc(C(F)(F)F)c2C#N)c(Cl)c1 26143134 JCIOGTFAIVTTEX-LBPRGKRZSA-N 427.879 5.670 30 20 IKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)Nc1cc(C#N)ccc1C 58453484 YKUIPYAPWJRHKP-UHFFFAOYSA-N 435.549 5.570 30 20 IKED C=CCc1cc(CNC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc(OC)c1OC 65064394 QQHWAWZQPBMGSZ-UHFFFAOYSA-N 444.890 5.118 30 20 IKED N#Cc1ccc(CSCC(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1 107784683 IVOANVXLTHOJAN-UHFFFAOYSA-N 442.009 5.461 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccc(OC)cc2)C(C)C)nnc1-c1ccccc1F 217067931 UAQSLHHNIPMAAK-FQEVSTJZSA-N 440.544 5.034 30 20 IKED C=CCc1cc(CN[C@@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)cc(OC)c1O 237323440 ZOGGTWCHHPOWNN-SFHVURJKSA-N 448.538 5.300 30 20 IKED N#Cc1c(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)sc2c1CCCC2 247753020 UOBUUJXJASNMAS-UHFFFAOYSA-N 446.359 6.032 30 20 IKED Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 303598277 JKQMGKOIVHVFQS-UHFFFAOYSA-N 441.531 5.683 30 20 IKED CSc1nnc(CCC/N=C(/Nc2ccccc2)N2CCCCC2)n1C1CCCC1 303892610 NRSVZSMTXPAEQL-UHFFFAOYSA-N 426.634 5.002 30 20 IKED CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1 303924296 UEVVWOPMWOIEKE-UHFFFAOYSA-N 441.531 5.052 30 20 IKED CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 431889849 OMDWQVVCJUVHTF-GGAORHGYSA-N 447.970 5.971 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 437828101 IOFXUCMBLYEIPZ-BJKOFHAPSA-N 430.552 5.053 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(CCc1ccccc1)c1ccc(O)cc1 437899490 SGEAKKKFJBGAPO-FQEVSTJZSA-N 445.588 5.474 30 20 IKED COc1ccc([C@@H]2CCCCCN2C(=O)CNc2ccccc2S[C@@H](C)CC#N)cc1 446632244 SGZFSKILCVNZOT-CVDCTZTESA-N 437.609 5.645 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1c1ccc(COC)o1 460392974 HPUAYOOVANOSGU-UWJYYQICSA-N 440.519 5.214 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H]1c1ccc(COC)o1 460568999 ASRYIJDBDUBFIN-QFIPXVFZSA-N 431.540 5.007 30 20 IKED C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H]1c1ccc(COC)o1 460771475 VVAJWSSCAJHBAT-IBGZPJMESA-N 444.482 5.204 30 20 IKED N#Cc1cc(NCc2ccc(F)cc2F)cc(NCc2ccc(F)cc2F)c1[N+](=O)[O-] 462390419 PXZXCUYBSMNSSW-UHFFFAOYSA-N 430.361 5.247 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 468449432 LIBDDZORJCSLCS-QFIPXVFZSA-N 444.604 5.407 30 20 IKED N#C[C@@H]1N(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)CCC[C@@]12CCCCO2 468672112 YEHNMYBBKXEUQO-AVRDEDQJSA-N 446.334 5.248 30 20 IKED N#CCCCn1cc(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)c2ccccc21 469026301 QIHSNJLQFXSIBH-UHFFFAOYSA-N 435.955 5.077 30 20 IKED COCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(Cl)c1 473491534 VZFKXZUXXYCTQV-KRWDZBQOSA-N 447.343 5.632 30 20 IKED COc1ccc(-c2nnc(SCc3ccc(Cl)cc3C#N)n2Cc2ccco2)cc1 479231726 ZSYXVWDORAYVHT-UHFFFAOYSA-N 436.924 5.412 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)s2)c(C)c1 479257050 ZRDNRPHILMYWPU-UHFFFAOYSA-N 444.604 5.024 30 20 IKED Cc1nnc(-c2ccccc2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)o1 479689859 QYCFCHHJNDMMCF-OAQYLSRUSA-N 428.879 5.606 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1ccc(OC(C)C)c(OC)c1 479811884 DYYJRYILDPYUAN-IBGZPJMESA-N 428.577 5.109 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 479842070 OMCGDMCKZSPDGI-UHFFFAOYSA-N 434.455 5.250 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1ccc(Cl)c(C(F)(F)F)c1 479884825 HIYRXPQARPZAJW-CYBMUJFWSA-N 442.890 5.795 30 20 IKED C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 482512368 QUFQPJFAWOFWQL-XXBNENTESA-N 430.552 5.275 30 20 IKED CCC(C)(C)N(CCC#N)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 484471903 JALTURVSRWSIEW-UHFFFAOYSA-N 445.903 5.594 30 20 IKED N#C[C@@H](C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)c1nc(-c2c(F)cccc2F)cs1 484569020 YGZHKPWAJBUYNH-INIZCTEOSA-N 433.439 5.137 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1sc(CCC)nc1C)c1ccc(C(F)(F)F)cc1 486215000 AEAFUVRQLRBMTA-INIZCTEOSA-N 439.503 5.185 30 20 IKED N#CCCC[C@H](NC(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)c1ccccc1 487566936 DEGYQSIXBCRRHU-QHCPKHFHSA-N 440.478 5.708 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1CC=C 489410968 VMVCYZVYKONCLE-UHFFFAOYSA-N 428.608 5.202 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C(=O)Nc3ccccc3OC)C(C)C)o2)cc1 489796045 WKDVPFBXELMIRV-HXUWFJFHSA-N 439.537 5.065 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)c1C#N 492219274 FOJPFGLUBPWTKR-UHFFFAOYSA-N 448.592 5.210 30 20 IKED Cc1ccc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1[N+](=O)[O-] 492964001 UZVXFDHQVQJYDK-GOSISDBHSA-N 446.482 5.387 30 20 IKED N#C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1cccc(Br)c1 496336483 DIPCPWNKRUYRMK-KRWDZBQOSA-N 444.716 5.071 30 20 IKED Cc1cc(CNCc2cn(CCC#N)nc2-c2ccccc2)ccc1Oc1ccc(F)cc1 500894735 VMJVXCPBZIMCCG-UHFFFAOYSA-N 440.522 5.993 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)s2)c(F)c1 503005498 ZUIJURPSYRBGQU-FPOVZHCZSA-N 435.524 5.178 30 20 IKED CC(C)Oc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cn1 503110829 OQQJCRSEDWTKLW-NRFANRHFSA-N 434.927 5.499 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(Cc3ccc(F)cc3)CC2)cc1C 504901399 FQVRGCPSZIEVFY-UHFFFAOYSA-N 444.554 5.315 30 20 IKED Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1ccccc1Sc1ccccc1C#N 505297619 JOCUWRQRSLGJNF-UHFFFAOYSA-N 449.963 5.430 30 20 IKED CCCN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H](C)CC(=O)Nc1ccccc1 505298843 UFTYBMVBAGTOGE-RBUKOAKNSA-N 438.597 5.600 30 20 IKED N#C[C@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1c(Cl)cccc1Cl 505531962 HZICEYXMNKSHIN-INIZCTEOSA-N 430.316 5.302 30 20 IKED N#C[C@@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1cccc(C(F)(F)F)c1 505923188 QUQQEEUDROOSJN-HXUWFJFHSA-N 438.409 5.344 30 20 IKED N#Cc1ccc(OC2CCC(NC(=O)Nc3ccccc3Cc3ccccc3)CC2)nc1 509501228 CVKKGPITVUIOSS-UHFFFAOYSA-N 426.520 5.056 30 20 IKED Cc1ccc(C[C@H](C#N)Sc2nc3sc(C)c(C)c3c(=O)n2Cc2ccccn2)cc1 515843487 JQUAQMFKTZETFZ-HXUWFJFHSA-N 446.601 5.054 30 20 IKED C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 516735682 RXFUQUCWFNDHSZ-INIZCTEOSA-N 433.895 5.162 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ccoc2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 519437470 FLWWNRIIOJGEHP-ZDUSSCGKSA-N 446.340 6.323 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(-n2cccn2)cc1 520471951 ONEYGMHCTSNIKO-UHFFFAOYSA-N 437.956 5.175 30 20 IKED CC1(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 521086336 PVVIOTMUPQHSNS-GOSISDBHSA-N 442.390 5.488 30 20 IKED COc1ccc(C)cc1-n1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)n1 521316970 AMLCSEZVEIKUGZ-KRWDZBQOSA-N 448.935 5.456 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3csc(-c4ccccc4)n3)cc2)c1 522458543 OCJABVBQTLULIT-UHFFFAOYSA-N 426.501 5.796 30 20 IKED C=CCn1c(SCc2cn3ccsc3n2)nc2scc(-c3ccccc3)c2c1=O 523229481 NHLSPXFKXVESHI-UHFFFAOYSA-N 436.587 5.313 30 20 IKED Cc1cccc(COc2cccc(C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)c2)c1 523532947 IJGAAONGDKFCKH-UHFFFAOYSA-N 436.515 5.501 30 20 IKED CC(C)[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nc(C2CC2)no1 524367351 XNNQTABITGDCQI-FPOVZHCZSA-N 449.942 5.775 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12)c1ccc(C(F)(F)F)cn1 524912097 AEPQVOVFPIKQIX-IBGZPJMESA-N 435.380 5.945 30 20 IKED Cc1cc(Br)c2oc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cc2c1 526108598 GWFRYOLFWMXQOO-LBPRGKRZSA-N 444.235 5.739 30 20 IKED CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 538522633 GBEPDRUGQHRSAU-UHFFFAOYSA-N 439.537 5.042 30 20 IKED N#Cc1ccccc1-c1ccc(CNC2CCN(C(=O)c3ccccc3Cl)CC2)cc1 539214541 ORPPEKJGJHXGHD-UHFFFAOYSA-N 429.951 5.273 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)n1 541099700 GLEBIGWHEXNPQI-JOCHJYFZSA-N 444.926 5.638 30 20 IKED COc1cccc(C2=CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)C2)c1 543883600 UFWGCXLPFGFNTR-UHFFFAOYSA-N 439.515 5.385 30 20 IKED COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1C 546636113 JZCQUQNONADTNT-UHFFFAOYSA-N 434.879 5.138 30 20 IKED O=C(CC(F)(F)F)Nc1ccc(NC(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)cc1 548967207 IZEKFFRAXNFBBG-OAHLLOKOSA-N 437.315 5.142 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 549292002 OEJGTQDIVKMNFF-WWMYMODYSA-N 442.560 5.161 30 20 IKED C=CCOc1ccc(CN[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1OC 551576285 IHAYVBWIFVHLDL-QHCPKHFHSA-N 435.486 5.536 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccccc2C(F)(F)F)cc1 554999303 KLXBVVKALUYZAB-UHFFFAOYSA-N 441.428 5.628 30 20 IKED Cc1[nH]c2ccccc2c1C1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 555648684 SZQGBIQDSRMMLM-UHFFFAOYSA-N 432.593 5.106 30 20 IKED Cc1cnccc1OC1CCN(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 568353141 WKLPFJNUOFWKPT-HXUWFJFHSA-N 440.547 5.243 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1 572086714 MLKRYTJSHPETFZ-HXUWFJFHSA-N 439.519 5.110 30 20 IKED Cc1ccc(C[C@@H]2CCCN(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)C2)cc1 574130752 SAIQBHQFNAKALJ-QFIPXVFZSA-N 444.579 5.065 30 20 IKED CC1(C(=O)N2CC(Cc3ccccc3Cl)C2)CCN(c2ccc(Cl)cc2C#N)CC1 576656884 JHJBZMZNIXLOLS-UHFFFAOYSA-N 442.390 5.173 30 20 IKED C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 582984802 KEVGJGBEMKRUTH-GOSISDBHSA-N 441.535 5.011 30 20 IKED CN(Cc1ccccc1OC(F)(F)F)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 603650457 ZMHFSGAOVJODOR-UHFFFAOYSA-N 446.454 5.168 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603764901 QEPMVUCLBQMCOL-UHFFFAOYSA-N 444.491 5.493 30 20 IKED Cc1nc(NC(=O)c2cccnc2SCc2ccc(F)cc2)sc1SCC#N 603774916 JTJJUSNODWXOOB-UHFFFAOYSA-N 430.555 5.146 30 20 IKED CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 608739198 CDGOMZDSRDPMII-LZWOXQAQSA-N 428.392 5.165 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(Nc3ncccn3)c2)cc1 608777910 SQABDEYPSZCDKT-UHFFFAOYSA-N 437.459 5.145 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1occc1COc1ccccc1 609060686 AUOMVMGAHULKOQ-UHFFFAOYSA-N 438.483 5.870 30 20 IKED COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2cc3ccccc3n2CC#N)cc1 609175360 RNZUXRRAZHSMSO-UHFFFAOYSA-N 439.515 5.025 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C3(c4cccc(Cl)c4)CCOCC3)c2)cc1 609176479 MQSBUAOVYYACMU-UHFFFAOYSA-N 432.907 5.691 30 20 IKED C=CCN(C(=O)c1ccc(OC)cc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 609371665 GFUOOCMDTUAJRP-UHFFFAOYSA-N 429.885 5.213 30 20 IKED COc1ccccc1SC[C@H](C)CNC(=O)Nc1ccccc1SC[C@@H](C)C#N 609401960 NHBALDSPNVGRBQ-DLBZAZTESA-N 429.611 5.497 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)c1 609682090 ADHNCKCSHPHHAZ-UHFFFAOYSA-N 448.910 5.919 30 20 IKED C[C@@H](CCC(C)(C)C)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609948130 BTZCRRZWKYGRSI-OXJNMPFZSA-N 425.960 5.265 30 20 IKED C[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F)c1cccc(C#N)c1 610319490 IQUJLMDCNYSXEH-CYBMUJFWSA-N 442.397 5.305 30 20 IKED O=C([C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618300783 FISTZQNBSFMLGZ-LYIQGSDWSA-N 433.314 5.398 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)N[C@H]3CCc4cc(C#N)ccc43)s2)cc1 618847596 JATRWUDSQWQINR-VGSWGCGISA-N 430.577 5.689 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 642473300 UMHUYLTXUDWXCE-UHFFFAOYSA-N 449.454 5.832 30 20 IKED CC[C@H](NC(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)C(F)(F)F 682550278 CEMWRIDHNNTVOW-NSHDSACASA-N 442.278 5.031 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2nnc(-c3cc4ccccc4o3)o2)cc1 726141333 BQWOWIMQMVINAR-QFIPXVFZSA-N 448.482 5.710 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccc2ccccc2n1 726319079 YBDLHFXMIVIHNF-GOSISDBHSA-N 437.446 5.796 30 20 IKED C#Cc1cccc(NC(=S)N(Cc2ccsc2)c2ccc(Br)cc2)c1 726470322 URUNMYMREXVOTL-UHFFFAOYSA-N 427.392 5.896 30 20 IKED COc1cc(/C=C2\CCc3nc(-c4ccc(F)cc4)sc3C2=O)cc(OC)c1OC 727685252 FZKFSTRTJGPMQM-XNTDXEJSSA-N 425.481 5.188 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)O[C@@H](c3cccc(F)c3)c3ccccn3)o2)cc1 729195097 RYOMYEWMQKYPHY-DEOSSOPVSA-N 428.419 5.211 30 20 IKED C[C@@H](OC(=O)c1cc2ccccc2n1CC#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 729767774 VMNXDOPSWWNOKZ-GFCCVEGCSA-N 449.816 5.021 30 20 IKED Cc1ccc(CCC(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1Cl 731072139 XGVDUYHVBBDIFN-MRXNPFEDSA-N 430.957 5.157 30 20 IKED N#C[C@@H](C(=O)CCCSc1ccc(Br)cc1)c1nc2ccccc2s1 731135714 IPYBIWPYRBFCGT-HNNXBMFYSA-N 431.380 5.808 30 20 IKED COc1ccc(C(C)=NNc2ccc(Br)cc2C(F)(F)F)cc1NC(C)=O 731486932 FTFJPDOCWNQBAR-UHFFFAOYSA-N 444.251 5.271 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 732593492 MVKNBPLJHCMRAX-UBFVSLLYSA-N 448.522 5.751 30 20 IKED O=C(/C=C\c1ncc(-c2ccc(Br)cc2)[nH]1)c1ccc(Cl)c([N+](=O)[O-])c1 732713927 NYBKYDBPGCKKAE-FPLPWBNLSA-N 432.661 5.297 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)c1 733804432 DHIWGKKOUJSQAQ-RBBKRZOGSA-N 439.968 5.671 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 734101061 DSMICRGXYWQFHS-MHZLTWQESA-N 443.506 6.045 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=S)Nc1ccc2c(c1)OCO2 735239720 GKJWUAHUPGDUFH-UHFFFAOYSA-N 425.457 5.249 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1cccc(Oc2nccs2)c1 736458673 JNODSYWXVQNQBC-UHFFFAOYSA-N 445.294 5.187 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)NCc3ccc(Br)s3)c2)s1 740026857 AUQDYJMVCHQLCE-UHFFFAOYSA-N 432.368 5.110 30 20 IKED CS(=O)(=O)c1ccc(C(=O)/C=C/c2cccc(OCCCc3ccccc3)c2)cc1F 741847570 PZZJKOYUKLWRQN-WYMLVPIESA-N 438.520 5.137 30 20 IKED CN(CCC#N)c1ccc(CN[C@H](c2cc(F)ccc2F)c2ccccc2Cl)cc1 742379095 QJEDYQRKZBJJCO-DEOSSOPVSA-N 425.910 5.847 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 743151919 IBYNEXBNIIWAQG-UONOGXRCSA-N 441.944 5.524 30 20 IKED CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(C#N)o2)NC(=O)N1c1ccc(C)c(F)c1 743742592 QSCKVJUPNUNEAE-HSZRJFAPSA-N 444.466 5.091 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 744016875 VHMCQGQTQPLOSJ-SFHVURJKSA-N 432.401 5.766 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@H]1C[C@H]1c1cccc(F)c1F 744027829 AURVCSKYACTKJK-FHWLQOOXSA-N 432.426 5.208 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1C(F)(F)F 744035619 SBKGQSGISMJILY-MLGOLLRUSA-N 434.870 6.462 30 20 IKED N#C[C@H](C(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1)c1nc(-c2ccccc2)cs1 744036598 DQNVVPDAEKOILS-MRXNPFEDSA-N 445.422 5.411 30 20 IKED C[C@H](CC(=O)c1cccc(F)c1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 744037825 FFCGMPZUXQBIKY-IAQYHMDHSA-N 434.414 5.540 30 20 IKED CC(C)(CO)[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 747229415 MDVHCZLHAAOLLW-JWQCQUIFSA-N 427.548 5.266 30 20 IKED COCCOC(=O)Nc1cccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1 748297687 SQOUDFKJOGDPMH-UHFFFAOYSA-N 447.516 5.157 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)C2(Sc3ccc(C)cc3)CCCC2)ccc1OC 750839548 CCCIHODAKREJLD-FQEVSTJZSA-N 438.593 5.406 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H](COc3ccccc3Cl)C2)c1 754108541 ZFFVYEWWEWBFQF-PMACEKPBSA-N 441.959 5.022 30 20 IKED Cc1ccc(-c2nc(C=Nn3c(S)nnc3-c3ccc(Cl)cc3Cl)co2)cc1 755523533 GEUVFAXPVJJUPL-UHFFFAOYSA-N 430.320 5.386 30 20 IKED N#Cc1ccc([C@@H](O)CSc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)cc1 763226077 UIVQLROELWGONO-QFIPXVFZSA-N 446.963 5.344 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 766482017 NYOVAWLVMVULFT-ICSRJNTNSA-N 437.565 5.068 30 20 IKED Cc1cn(-c2ccccc2Cl)nc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 766623879 UQUYERVGORWHBW-CYBMUJFWSA-N 447.709 5.102 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1 767862288 GIGKGGJDHLECFT-UHFFFAOYSA-N 436.487 5.366 30 20 IKED CC(C)N1CCc2c(c3ccccc3n2CC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)C1 774089064 ILHZKXDMQGIXNR-GOSISDBHSA-N 446.551 5.033 30 20 IKED C#CCOc1ccccc1NC(=O)c1cccc(COc2ccc(CCC(C)=O)cc2)c1 775951123 AUGNXFJRYMKJFP-UHFFFAOYSA-N 427.500 5.052 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@H]1CCc2c(Cl)cccc21 776076991 MAVKDXSELSQVHM-VQTJNVASSA-N 430.891 5.510 30 20 IKED COc1cc(/C=C2/CCc3ncc(C(F)(F)F)cc3C2=O)ccc1OCC(F)(F)F 777466768 FZAYCYKANKJDNF-SDQBBNPISA-N 431.332 5.263 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 780677647 GXTMXTKLQOHZQG-BDJLRTHQSA-N 429.345 5.004 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3coc(CNC(=O)OC(C)(C)C)c3)n2)cc1 781448230 JTTKSDRILWIHDZ-SFHVURJKSA-N 437.521 5.226 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CCOc3cc(F)ccc3C2=O)cs1 781555426 JEKNSFSEPDASBU-UVTDQMKNSA-N 426.444 5.155 30 20 IKED CC[C@H](C)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 782957468 URMQKDJIXQKTHU-CPJSRVTESA-N 425.532 5.108 30 20 IKED CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 786450017 YDSRAFPGLIZRKW-OAHLLOKOSA-N 435.396 5.895 30 20 IKED Cc1cc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)cc(Cl)n1 788700364 LZCKWOAJLAXNRC-UHFFFAOYSA-N 429.332 5.326 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)OCc2cncn2CC(F)(F)F)c1 797113292 GRCKJPUGEJRFQS-UHFFFAOYSA-N 435.789 5.120 30 20 IKED N#C[C@H](C(=O)CO[C@@H]1CCCc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1 797550188 ZFSOFDYCHHDBJF-VQIMIIECSA-N 430.451 5.586 30 20 IKED CC(C)(C)OC(=O)N[C@H](CC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)c1ccccc1 797568193 GIJLJMSYSTVXMA-DLBZAZTESA-N 427.570 5.273 30 20 IKED CN(c1ccccc1)c1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cn1 797787712 ZZWAOQFKESTUSW-UHFFFAOYSA-N 434.956 5.269 30 20 IKED COc1cccc(-c2nn(C(C)(C)C)cc2/C=C2\C[C@H](C(=O)O)c3ccccc3C2=O)c1 806559331 AGTKIITXIXMCEV-PFSBYRDKSA-N 430.504 5.152 30 20 IKED CS[C@H]1CC[C@@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)C1 806791983 JQAJZQQECPQKMR-KGLIPLIRSA-N 440.516 5.030 30 20 IKED N#C[C@H](C(=O)C1CCC(OC[C@@H]2CCCO2)CC1)c1nc(-c2c(F)cccc2F)cs1 815925598 JYZRRYACUGFLIJ-SJJHQCBESA-N 446.519 5.019 30 20 IKED Cc1cc(C#N)cnc1C(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CCC(=O)[C@]4(C)CC[C@@H]32)C1 815966471 XPFSVLLDSGFGGT-VTNHVFRFSA-N 432.564 5.319 30 20 IKED Fc1ccc(OCc2nnc(S)n2N=Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 839415573 MQXWYNRRTFMQHG-UHFFFAOYSA-N 428.876 5.081 30 20 IKED Cc1c(-c2nc(C(C)(C)NC(=O)c3cccc(Cl)c3)no2)sc2ccc(C#N)cc12 904597623 IZGYJFGDYXCOSX-UHFFFAOYSA-N 436.924 5.450 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915086462 JWWCVNCYIKKGRX-HXUWFJFHSA-N 441.512 5.810 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)cc1OC 916071567 GPLZHIFFOUESGZ-NTCAYCPXSA-N 442.515 5.473 30 20 IKED COc1cc(/C=C\C(=O)c2cccc(C)c2)ccc1OCC(=O)Nc1ccccc1Cl 916153532 TXQQODSKTXNKRO-BENRWUELSA-N 435.907 5.571 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 916917804 JVQRERKWZHSWEM-HSZRJFAPSA-N 448.482 5.445 30 20 IKED N#C[C@H](C(=O)COc1ccc(Br)cc1Cl)c1nc(-c2ccccc2)cs1 917026250 XFSVXCXULDFDCS-CQSZACIVSA-N 447.741 5.481 30 20 IKED N#C[C@@H](C(=O)c1nc(NCc2ccco2)ncc1Cl)c1nc2cc(Cl)ccc2s1 917046532 KSLFQXURMWZQOI-LBPRGKRZSA-N 444.303 5.088 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c1=S 917478613 SXDYHDXYHNQSME-IBGZPJMESA-N 446.407 5.763 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(C(=O)O)s2)cs1 917560203 SJRVZFYUUPGJLL-DAXSKMNVSA-N 432.910 5.137 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCSc1ncnc2sc(C)c(C)c12 920103854 DZJVQEHTXNJYHZ-INIZCTEOSA-N 448.573 5.172 30 20 IKED C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920143324 VRHNSDGZZGTUCT-LRDDRELGSA-N 442.327 5.632 30 20 IKED C#CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(OC(F)F)cc3)C2=O)cc1 920471825 LFNDWTBYISLYER-QGOAFFKASA-N 431.485 5.096 30 20 IKED Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)o1 1790083478 IPICUFMIDZYFAM-UHFFFAOYSA-N 447.922 5.104 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3occ(Cl)c3c1)C2 1798335879 VWRKZPOXBMNVJP-RDGPPVDQSA-N 426.944 5.106 30 20 IKED C#CCCCCC(=O)N1CCC2(CCCN(C(=O)[C@H](c3ccccc3)[C@@H](C)CC)C2)CC1 1809158626 HGAIKEUZYPQHCS-OZXSUGGESA-N 436.640 5.241 30 20 IKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c(-c4ccc(C)cc4)c3)CC2)C1 1825423036 RBOSQLSBGAKEOY-AREMUKBSSA-N 445.607 5.190 30 20 IKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccccc23)CC1 1828006718 QEYVNJUVTODCKQ-AREMUKBSSA-N 448.607 5.056 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)CC1 1828040215 YBTJECQZKKUHIZ-DEOSSOPVSA-N 435.612 5.394 30 20 IKED CCC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)CCC1 1828478149 DAIPQVFSYBDGPD-GBXCKJPGSA-N 435.612 5.127 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2c[nH]c3cc(C)ccc23)CC1 1831378261 VKUWHLVGHXHPOO-KRQJIXKBSA-N 447.623 5.321 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2ccc(CC)cc2)cc1 10173799 MLSJKQBXWIMYIB-UHFFFAOYSA-O 439.988 5.640 30 20 IKED N#CCSc1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccc(F)cc2)cc1 16578278 ZGIFQGKVJJHVBW-UHFFFAOYSA-N 436.464 5.029 30 20 IKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cc(C)cc(C)c2)[n+]2cccc(C)c2)c1C 28793542 FLGYQCJGZASTPG-UHFFFAOYSA-O 434.585 5.098 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 60628081 YBMYIGVAWFJKRK-FQEVSTJZSA-N 428.532 5.063 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)o1 63991894 CUNHKNVMDGGMSL-UHFFFAOYSA-N 448.482 5.381 30 20 IKED CC(C)NC(=O)Nc1ccccc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 64715066 DTTJVKKPQJLPSO-CQSZACIVSA-N 440.475 5.108 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(CN4CCSCC4)c3)c2)cc1 97547914 DWGHMPNMBNXDCJ-UHFFFAOYSA-N 429.545 5.152 30 20 IKED COc1cc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3oc2=O)ccc1OC(F)F 111661317 KRMMEZITQBAIMJ-LGMDPLHJSA-N 449.409 5.222 30 20 IKED O=C(/C=C/c1ccc(OCc2ccncc2)cc1)c1ccc(OC(F)F)cc1OC(F)F 116778205 VREKHKFXHVTBGX-FPYGCLRLSA-N 447.384 5.760 30 20 IKED N#C[C@@H](C(=O)CCc1cccc(Br)c1)c1nc(-c2ccc(Cl)cc2)cs1 301761013 KWUCSYVJWOHOGI-KRWDZBQOSA-N 445.769 6.035 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1-c1ccccc1 428910670 AZLYLRSNBSROCW-UHFFFAOYSA-N 433.471 5.380 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)CCSc2ccnc3cc(Cl)ccc23)c1 433719161 NOSHPMZXQDSIHT-UHFFFAOYSA-N 433.867 5.482 30 20 IKED CN(C(=O)c1cc(COc2ccc(Cl)cc2Cl)on1)c1cc(Cl)ccc1C#N 435263933 TUKCYIOHXFBCTI-UHFFFAOYSA-N 436.682 5.362 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)F)cc1F 437474000 NJQPNHVCRAVRSB-QZTJIDSGSA-N 438.405 5.833 30 20 IKED CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)s1 437876104 VCRXKJIBWDIOEA-GFCCVEGCSA-N 426.464 5.052 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)c1cccnc1 438538072 DLDCTROPHVWMIE-AWEZNQCLSA-N 426.398 5.647 30 20 IKED CC[C@H](C)[C@H](C)N(C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C1CC1 439573490 OXWQMOPSEKFYQN-PNLZDCPESA-N 437.971 5.360 30 20 IKED N#CCC[C@H](NC(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccccc1 440209451 UWVLFYSDDICSNH-UPVQGACJSA-N 441.510 5.261 30 20 IKED N#Cc1ccccc1/C=C/c1nc(-c2ccc(C(F)(F)F)nc2OCC(F)(F)F)no1 445809316 VVRKIBPBCVWDEL-VMPITWQZSA-N 440.303 5.134 30 20 IKED Cc1nc(CSc2ccccc2C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cs1 464423942 DVUANKQJAOKUQZ-INIZCTEOSA-N 433.480 5.648 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 464941836 PDIWBSUDLDCVGW-PKOBYXMFSA-N 443.494 5.546 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN([C@H](C)c2nccs2)CC1 467154837 IENNMNPQOOAXGZ-GOSISDBHSA-N 447.564 5.026 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCO[C@@H](c2ccsc2)C1 467854167 VBBICFKEUDVYEP-HSZRJFAPSA-N 433.533 5.113 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)CCOc1ccc(C(F)(F)F)cc1 470363168 NKRXWNRBAWGTOF-OAHLLOKOSA-N 437.487 5.642 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 472323942 VHONYSSUOFLSKM-CLJLJLNGSA-N 440.547 5.013 30 20 IKED N#Cc1ccccc1COc1cccc(CNC2CC(N3CCC(C(F)(F)F)CC3)C2)c1 475345904 LQTLSMRFBMCVCR-UHFFFAOYSA-N 443.513 5.032 30 20 IKED Cn1cc(-c2cc(F)ccc2NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 477666893 RGZXBFDKUJCPBF-UHFFFAOYSA-N 431.311 5.516 30 20 IKED C[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1nc(-c2ccc(Br)cc2)cs1 478505080 XHKDEDMZCSHPOU-CQSZACIVSA-N 440.366 5.254 30 20 IKED CCOc1cc(Br)ccc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 479303121 PRGKKUUJICSESR-MJGOQNOKSA-N 428.330 5.151 30 20 IKED CCO[C@H](C)c1nc(CN(C)C(=O)c2ccc(Sc3ccccc3C#N)cc2)cs1 479864432 OKHKRHYFWCNBNU-MRXNPFEDSA-N 437.590 5.536 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C 480071318 PAWMVPZTRVZPRF-UHFFFAOYSA-N 443.576 5.665 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 480386409 IPTVTSLVYGHFKF-UHFFFAOYSA-N 425.941 5.874 30 20 IKED O=C([C@@H]1CCC(F)(F)C1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 480936886 RNZPMINQURNPKQ-YGRLFVJLSA-N 431.323 5.060 30 20 IKED COc1ccc2ccccc2c1-c1cc(CSCC(=O)Nc2ccc(C#N)cc2)on1 481965275 QIPQKIOUEFYEOP-UHFFFAOYSA-N 429.501 5.247 30 20 IKED C[C@@H](NC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1nc2ccccc2n1C(F)F 482382147 HPLFKZDKDGFNKN-PSLIRLAXSA-N 448.342 5.373 30 20 IKED N#Cc1ccc(CN(C(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)C2CC2)cc1 482418898 UVSVEIFUHSFPRV-SFHVURJKSA-N 439.384 5.137 30 20 IKED N#C[C@H](C(=O)c1cccnc1Oc1ccc(Cl)cc1Cl)c1nccc2ccccc12 483243735 MUYPSPHDVYRJEP-SFHVURJKSA-N 434.282 6.219 30 20 IKED C[C@@H](c1ccc2ccccc2c1)N(C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1)C1CC1 483599389 FDAKVPYDISIQQU-ROUUACIJSA-N 447.560 5.283 30 20 IKED Cc1c([C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C(C)C)oc2ccccc12 483746196 OFVHJVOJTNLDEN-DEOSSOPVSA-N 431.536 5.563 30 20 IKED CC(=O)N(C)c1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 486546347 NPODTMZHLLYBIT-UHFFFAOYSA-N 433.895 5.026 30 20 IKED Cc1cc(C)c(NC(=O)c2occc2COc2cccc(C#N)c2)cc1Br 486605726 TWSBNYHDNWBYHA-UHFFFAOYSA-N 425.282 5.362 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cnc(-c3ccsc3)s2)cc1 486711586 SIKLIXGIGDVHKH-UHFFFAOYSA-N 431.542 5.769 30 20 IKED CC(=O)c1ccc(-c2ccc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)o2)cc1 487287480 CQIHZKAQCNGKBR-UHFFFAOYSA-N 427.485 5.320 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(COc2c(C#N)cnc3ccc(C)cc23)cs1 488292432 ISPNLRBIJCYSMG-UHFFFAOYSA-N 442.544 5.752 30 20 IKED C=CC[C@@H](C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1)c1ccccc1 489043224 OJIJJBLVSIBBRZ-GOSISDBHSA-N 440.330 5.939 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(OC2CCCC2)c(OC)c1 502629348 WFNNGXZLQZUQDC-IBGZPJMESA-N 435.568 5.571 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1[C@H](C)CC 504282639 VSXQZDMSFRKWEO-MSOLQXFVSA-N 440.638 5.673 30 20 IKED C=CCN(C(=O)c1nc(-c2ccccc2)cs1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 504586170 RHYQENYLZRPXMW-UHFFFAOYSA-N 448.529 5.675 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N(CCC#N)CC3CC3)cc12 505194127 XSSUSGLDJKSWMV-UHFFFAOYSA-N 447.391 5.527 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Nc3ccc(Br)cc3Cl)n2)cc1 505411705 ZEEGLKOVBCNCAG-CQSZACIVSA-N 446.757 5.780 30 20 IKED N#CC1(c2ccccc2)CCC(NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)CC1 507660534 NQAFIQWOQYABJJ-UHFFFAOYSA-N 440.591 5.300 30 20 IKED C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](n2ncc3ccccc32)C1 508911389 ATZQBRWPBRFGPU-FXAWDEMLSA-N 448.958 5.059 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCN(c3ccccc3)C2)cc1Cl 510042551 HGHUBOMKIBLQKI-CYFREDJKSA-N 444.966 5.643 30 20 IKED CC(C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 510369577 PJBSYRABJLWEMX-WOIUINJBSA-N 437.971 5.265 30 20 IKED CC1(c2ccccc2)CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 510671918 RFZAURSVLZKPHB-UHFFFAOYSA-N 439.559 5.917 30 20 IKED Cc1ccc([C@H](C)N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c(C)c1 515795076 CSMNVPOOBRGAOH-IBGZPJMESA-N 426.520 5.652 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4[nH]c5c(c4c3)CCCC5)n2)cc1 516269935 FPQXSBTYMSTAQT-HXUWFJFHSA-N 427.529 5.669 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccccc2SCc2cccs2)n1 516351814 BXEDYOOVSJRCHZ-HNNXBMFYSA-N 428.560 5.164 30 20 IKED C=CCN(C(=O)CCc1ccc(Cl)s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 516464138 PGBFNQRFSWFEQM-UHFFFAOYSA-N 433.942 5.585 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)c1 518103245 YGEUMAZTGGXKHY-QGZVFWFLSA-N 449.576 5.198 30 20 IKED N#CCCSc1ccccc1NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 518121958 CZDJFNHKBXBFPW-UHFFFAOYSA-N 441.792 7.120 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 518757819 KYWPQINNQTZPIK-OPAMFIHVSA-N 439.556 5.206 30 20 IKED Cc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cs2)o1 518870178 XBLCTAJHILDHRW-LLVKDONJSA-N 427.457 5.603 30 20 IKED N#Cc1c(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)nc2n1CCS2 520293929 YSSZOIYVEQPHOO-UHFFFAOYSA-N 426.954 5.058 30 20 IKED N#Cc1c[nH]ccc1=NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1Cl)CC2 522718283 NGFYMDAFUKECOS-LGMDPLHJSA-N 436.902 5.316 30 20 IKED Cc1ccc(-c2ccncc2)cc1N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 523911003 MDGOIZMPHMNRMD-KRWDZBQOSA-N 430.577 5.698 30 20 IKED CN(C)[C@H](C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1c(F)cccc1Cl 525330072 UQRNIOUMPFVLQX-QHCPKHFHSA-N 437.902 5.171 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc2c1CN(c1nccs1)C2 534023324 GGGXSHLYWAYZCN-UHFFFAOYSA-N 431.565 5.225 30 20 IKED CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)Nc1ncccc1OCCCC#N)OCC3 534613631 IDWMKVODXIBQBG-SANMLTNESA-N 446.551 5.015 30 20 IKED O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ccc(F)cc1C(F)(F)F 535800156 TVFZDMWJELBKBL-UHFFFAOYSA-N 441.253 5.627 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](Cc1ccccc1)c1ccccc1F 537157930 DTMDFGCNJDVMJN-YADARESESA-N 447.579 5.732 30 20 IKED C[C@H](N[C@H](C)C(=O)Nc1ccccc1C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 542014729 XOMWZACWUBKXTQ-DLBZAZTESA-N 437.465 5.922 30 20 IKED C[C@@H](NC(=O)Nc1cc(F)cc(N2CCOCC2)c1)c1ccc(-c2cccc(C#N)c2)cc1 542025353 JEXJPSSPZJVCQQ-GOSISDBHSA-N 444.510 5.084 30 20 IKED CC(=O)c1ccc(Oc2ccc(C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)cc2)cc1 543857143 WAFFHWASRLYABF-UHFFFAOYSA-N 440.434 5.130 30 20 IKED N#Cc1ccc(SCc2nnc(-c3ccc(Br)o3)o2)cc1C(F)(F)F 543860230 JHWQGKXPGNIGQT-UHFFFAOYSA-N 430.205 5.275 30 20 IKED C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 543887623 AEWUVOIXUUNWGE-KRWDZBQOSA-N 445.523 5.740 30 20 IKED N#Cc1ccc(CN(C(=O)c2csc(-c3cc(Br)cs3)n2)C2CC2)cc1 544164055 FXXBDJGSKMBOGJ-UHFFFAOYSA-N 444.379 5.311 30 20 IKED Cc1ccc(C(=O)c2c(NC(=O)c3ccc(Cl)c(C#N)c3)sc3c2CCOC3)cc1 546813362 NLKYQVLPROECCO-UHFFFAOYSA-N 436.920 5.138 30 20 IKED C=C(C)Cn1c(SCc2nc([C@@H](C)c3c(F)cccc3F)no2)nnc1-c1ccco1 547134424 DJIXSBVBAXAGAG-ZDUSSCGKSA-N 443.479 5.220 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CCOc4ccc(F)cc43)c2)cc1 548080792 RPLUZOFVSWJGNP-HSZRJFAPSA-N 431.467 5.116 30 20 IKED C[C@H](CC(C)(C)c1c[nH]c2ccccc12)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 550899737 ZREIYVGPECZABX-LJQANCHMSA-N 428.580 5.919 30 20 IKED N#CCCN(C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1ccc(F)cc1 551533570 AVVRZNNTKYGMOC-UHFFFAOYSA-N 436.870 5.036 30 20 IKED C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 571246987 JOXLULVHALPPLH-HZPDHXFCSA-N 448.958 5.062 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@@H](c4ccc(F)cc4)CC3)cc2)ccn1 571249604 MGFHNYCNGGXCRN-GOSISDBHSA-N 430.483 5.686 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1)[C@@H]1C[C@@H]1C 571475185 MCOUOBXZKTYLJK-HFJWLAOPSA-N 439.515 5.151 30 20 IKED C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C1CC1)[C@@H](C)c1ccccc1Cl 584200995 YNDUCCRKUOCGHY-HNNXBMFYSA-N 446.942 5.163 30 20 IKED C=C(C)COc1cccc(NC(=O)Cc2c(C)nn(-c3ccc(C(F)(F)F)cn3)c2C)c1 589383105 YCHURZUWIUGSLJ-UHFFFAOYSA-N 444.457 5.039 30 20 IKED CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=O)c1cccc(C#N)n1 589463257 ZLVRBCIZKBSQBG-QFIPXVFZSA-N 439.437 5.254 30 20 IKED CCSc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1 590207975 ITNCOQHWRHYOKS-AWEZNQCLSA-N 434.373 6.114 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 603530646 RAEBMQLAWMVNHE-UHFFFAOYSA-N 441.560 5.166 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1 603733537 WKXOBEWKJFCUCC-MHZLTWQESA-N 440.499 5.378 30 20 IKED COc1ccccc1OCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603745955 HYMWAIXBMPRNOY-HXUWFJFHSA-N 435.911 5.205 30 20 IKED C=CCOc1cccc(CN[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)c1 608067996 YZVOZUYCLSYPSQ-DEOSSOPVSA-N 441.980 5.188 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 608800352 JCAWJIUABGPEEM-UHFFFAOYSA-N 446.510 5.799 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1csc(-c2cccnc2)n1 609061479 CVIGCUKIAKSVCV-UHFFFAOYSA-N 440.528 5.145 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCc2c(Br)cccc2C1 609399373 QGPVNVOXZLQXTE-CQSZACIVSA-N 430.371 5.291 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 609401885 FXWJQBXDLZMRTB-IRXDYDNUSA-N 428.989 5.240 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NC(c3ccc(F)cc3)c3ccc(F)cc3)cc2)nc1 609501650 VGRYLXDKRCVVLG-UHFFFAOYSA-N 441.437 5.543 30 20 IKED CC(C)c1ccc(-c2nc(CC(=O)N3CCCN(c4ccccc4C#N)CC3)cs2)cc1 609515523 FIMNGKQHPPHRAJ-UHFFFAOYSA-N 444.604 5.087 30 20 IKED Cc1nc(-c2ccc(CNC(=O)NC3CCC(Oc4ccccc4C#N)CC3)cc2)cs1 609557393 LLXYGCMLOGCVQQ-UHFFFAOYSA-N 446.576 5.180 30 20 IKED CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 609725196 MUMUKTLIAZUVQT-OAHLLOKOSA-N 449.894 5.230 30 20 IKED C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 609927515 WBCDJUISVGNRLR-ZDUSSCGKSA-N 425.838 5.248 30 20 IKED C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ncc(-c2ccccc2)o1 610068564 NLPOZVXDHKYPRJ-KRWDZBQOSA-N 425.513 5.855 30 20 IKED Cc1oc(-c2ccco2)nc1CC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N 610108216 KKBKUNWIOKFLJA-UHFFFAOYSA-N 431.879 5.544 30 20 IKED CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 610296629 ISBGNIGUOPGPOK-DEOSSOPVSA-N 441.600 5.197 30 20 IKED Cc1cc(C#N)ccc1CN[C@@H](C)c1sc(-c2ccccc2Br)nc1C 614405792 HNVUEFANFYECHK-AWEZNQCLSA-N 426.383 5.912 30 20 IKED CC1CCN(c2nnc(S[C@H](C#N)c3ccc(Cl)cc3)n2Cc2ccco2)CC1 619864013 YZYVPGPSQKYSSF-LJQANCHMSA-N 427.961 5.166 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 642158266 QABMGYYZDJJLOB-FQKPHLNHSA-N 447.341 5.835 30 20 IKED N#C[C@@H](C(=O)c1sc(-c2ccccc2)nc1C(F)F)c1nc(-c2ccncc2)cs1 677790975 ICDWBFCLIGDALP-AWEZNQCLSA-N 438.484 5.756 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(-c3ccccc3)cc2)[n+]2cccc(O)c2)c1 726573546 JNAOFLXUCPTXTR-UHFFFAOYSA-O 449.555 5.651 30 20 IKED C=CCn1c(COc2ccccc2F)nn(CN(C)C[C@@H](C)c2ccccc2)c1=S 727428576 PXULQWLUSOIHED-GOSISDBHSA-N 426.561 5.011 30 20 IKED Cc1nc2sc3c(c2c(=O)n1N=Cc1csc(-c2cccs2)n1)CCCCC3 728428416 XJLVVJQYKKUALH-UHFFFAOYSA-N 426.592 5.103 30 20 IKED N#C[C@@H](C(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 728766076 WZTFDKXMXVAAPD-KBPBESRZSA-N 442.384 6.228 30 20 IKED COc1ccc(OCc2nnc(S)n2N=Cc2cccc(-c3ccccc3C)c2)cc1 729635732 KFXSRGLLJPUCOK-UHFFFAOYSA-N 430.533 5.012 30 20 IKED N#Cc1c(NC(=O)CSc2nnc(-c3ccccc3)s2)sc2c1CCCCC2 729940958 RNVIFPUOAWFFNI-UHFFFAOYSA-N 426.592 5.138 30 20 IKED Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1C 730375260 FUQKGRSEIYFYAW-QGZVFWFLSA-N 432.451 5.291 30 20 IKED Cc1c(C(=O)/C=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)c(C#N)c2n1CCC2 731938019 OEVWPCNFBPVLNS-HJWRWDBZSA-N 427.451 5.653 30 20 IKED O=S(=O)(Nc1ccccc1)c1ccc(NN=Cc2cc(C(F)(F)F)ccc2F)cc1 733204170 KVLJVZNBNWDQHH-UHFFFAOYSA-N 437.418 5.091 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Oc4ccc(Cl)nn4)cc3)o2)cc1 733244170 GTRVYLKUFXGINP-UHFFFAOYSA-N 446.850 5.218 30 20 IKED CC(=O)N(c1nc(COC(=O)c2ccccc2Sc2ccccc2C#N)cs1)C1CC1 734177906 XIDPVGPKOKGSFG-UHFFFAOYSA-N 449.557 5.038 30 20 IKED COc1cccc([C@H]2C[C@H]2C(=O)OCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)c1 735141068 FPSJFDYYCMBTPL-DNQXCXABSA-N 443.499 5.001 30 20 IKED Cc1ccc(OCc2nc(CNCc3cccc(-c4ccc(C#N)s4)c3)cs2)cc1 740011809 TXJQPISSLJRFDB-UHFFFAOYSA-N 431.586 5.921 30 20 IKED C=CCn1c(SCC2OCCO2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 740667685 BPKFOCPCVKYORE-UHFFFAOYSA-N 444.560 5.120 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cccc(-c3ccncc3)c2)cs1 741472750 JUAZZVVWMNGOMO-DHZHZOJOSA-N 439.540 6.094 30 20 IKED Cc1cc(F)ccc1-c1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)CC(F)F)cc2)o1 741851582 AQEQZVPQYGCFCF-BJMVGYQFSA-N 434.435 5.329 30 20 IKED C[C@H](N[C@H](C)c1cccc(C#N)c1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 743491389 LRCWSVAZOYMDGQ-DGGJZMOXSA-N 446.938 5.222 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCN(c4ccc(C(C)C)cc4)C3=O)n2)cc1 744030779 HAVAAFUYQFCIKL-FGZHOGPDSA-N 443.572 5.471 30 20 IKED N#Cc1cccc(CC(=O)OCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)c1 750434119 MMMWDIVDKGPZMS-UHFFFAOYSA-N 434.904 5.127 30 20 IKED N#C[C@H](COC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Cc1ccccc1 750782085 GKFUHJPMPJMVBJ-HYBUGGRVSA-N 446.934 5.127 30 20 IKED O=C(/C=C\c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1)c1ccc(N2CCOC2=O)cc1 752238793 WPCTVEZMYFFENP-MLPAPPSSSA-N 430.416 5.240 30 20 IKED O=C1/C(=C\c2cnc(-c3ccccn3)s2)CCC/C1=C\c1cnc(-c2ccccn2)s1 753136596 XRUAOXKGCFHIEU-RFTYBOQRSA-N 442.569 5.944 30 20 IKED O=C1/C(=C\c2cnc(-c3ccncc3)s2)COc2c(Br)cc(Cl)cc21 753144107 YHXAOAAERWVJSY-WZUFQYTHSA-N 433.714 5.280 30 20 IKED Cc1ccc(C(=O)O[C@@H](C)C(C)(C)C#N)cc1NC(=O)c1ccc(Br)cc1 753613662 PAGIAEVUVLGMPG-AWEZNQCLSA-N 429.314 5.105 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1 760708456 WFRSNBXYVHPSEL-QFIPXVFZSA-N 425.315 5.386 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1ccc(Oc2cccc(Br)c2)cc1 760790148 ULDQVAVIVGIPQM-UHFFFAOYSA-N 441.256 5.535 30 20 IKED C=CC[C@@H](N[C@@H]1CCCc2nc(-c3ccc(Br)cc3)sc21)c1ccncc1 766021865 VCUBGVNKMZGINC-RTBURBONSA-N 440.410 6.252 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/C(=O)c3ccccc3[C@H]2C(C)C)cs1 766506634 PNVNYFFRRXTDRV-UHSICZIDSA-N 436.964 6.501 30 20 IKED CCN(Cc1ccccc1)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)cc1 770102895 WDIYNNJYZMWSHT-NRFANRHFSA-N 431.923 5.328 30 20 IKED N#C[C@@H](C(=O)/C=C/c1ccnc(Cl)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 771260558 IOWWPFQQFLAPLG-ZJHLSUJBSA-N 434.735 6.055 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C(C)(C)c1cccc(Cl)c1F 772487529 UYYQGXXPXRCNBB-AWEZNQCLSA-N 448.947 5.333 30 20 IKED C[C@@H]1CC[C@@H](C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C1 776547678 VXANZTRPCXNDKQ-RNFRBKRXSA-N 442.240 5.407 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)cc1 776907324 CVSWYNHOOKTEEA-UHFFFAOYSA-N 437.584 5.036 30 20 IKED Cc1cc(-c2cc(C(=O)OCc3ccc(C4(C#N)CC4)cc3)c3c(C)noc3n2)c(C)o1 777145210 VMCVBEHIZPHRCB-UHFFFAOYSA-N 427.460 5.320 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)cc1 777807286 HJHVGHPGMVLSFM-JYFHCDHNSA-N 438.575 5.787 30 20 IKED COc1ccc([C@@H](N[C@@H](C)c2ccc(OCC#N)cc2)c2ccc(C(F)(F)F)cc2)cc1 779186585 YWMDBBMSTKXFFJ-XDHUDOTRSA-N 440.465 6.057 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 779612710 INRLROSISOXXDQ-FQEVSTJZSA-N 434.471 5.037 30 20 IKED CC(C)n1cc2c(n1)[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)CCC2 780411208 AZKVWILBNMHCFT-XMMPIXPASA-N 443.551 5.308 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(Br)cc1Br 780451015 RRXVNYSPPUUKMO-JTQLQIEISA-N 439.107 5.146 30 20 IKED COc1ccc(C[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1OC 781452788 MKPJDGWRZCNMNZ-HIFRSBDPSA-N 442.487 5.161 30 20 IKED N#Cc1ccnc(N2CCC[C@H](OC(=O)c3csc(-c4cccc5ccccc45)n3)C2)c1 791979984 RHQWSBCMNAFJJC-IBGZPJMESA-N 440.528 5.056 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1ccccc1SC[C@H](C)C#N 793461838 QQOKLMLOFZVCMN-OAHLLOKOSA-N 425.554 5.846 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N[C@](C)(C#N)CCc3ccccc3)ccc21 793475946 TZKILWNVRPILNW-SANMLTNESA-N 433.552 5.019 30 20 IKED CC(C)(C)OC(=O)N1CCc2cccc(/C=C\C(=O)c3nc(Br)ccc3F)c21 794969387 IRTCKDSVFRNLSQ-CLFYSBASSA-N 447.304 5.177 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2)cc1 796634476 LMYKTLCJICHKHX-WDSOQIARSA-N 439.581 5.330 30 20 IKED COc1cc(C#N)ccc1OCCOC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)oc1C 805527779 WFLSVFHLWHRTKK-UHFFFAOYSA-N 447.274 5.073 30 20 IKED N#CCN(C(=O)CSC1=NC(=O)/C(=C/c2csc3ccccc23)S1)c1ccccc1 814770775 GDJNRIZWUGHTPN-UNOMPAQXSA-N 449.582 5.162 30 20 IKED N#Cc1ccc(N2CC[C@@H](c3nc(-c4ccc(COc5ccccc5)cc4)no3)C2)c(F)c1 904446680 RUFNITRAQIWAJJ-OAQYLSRUSA-N 440.478 5.320 30 20 IKED CCN(C(=O)COc1ccc(C2SCCCS2)cc1)[C@H](C)c1ccc(C#N)cc1 914509396 ILWLCVXTAVIEPV-QGZVFWFLSA-N 426.607 5.415 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc2ccccc12 915725594 JLIFRBDVDFVFEL-BCHFMIIMSA-N 433.511 5.311 30 20 IKED Cc1ccc(Cl)c(O[C@@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 916930600 DPXIQOWOWIWISE-AAEUAGOBSA-N 425.699 5.070 30 20 IKED CCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916995778 HKVJQZGWVJKPDB-KRWDZBQOSA-N 431.344 5.935 30 20 IKED COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916996101 KAWNUQRLQVLOCE-QVNOTHCHSA-N 429.328 6.015 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 918030630 QJMCJBAXSJHHNL-UHFFFAOYSA-N 445.567 5.290 30 20 IKED Fc1ccc(-c2nn(CN3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c(=S)o2)cc1 918735058 LPOJLUAHQOOWCH-PHIMTYICSA-N 429.361 5.032 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1 920101901 MQCGSIFNGCZJLG-LJQANCHMSA-N 427.529 5.351 30 20 IKED CC(=O)Nc1ccc(C(C)=NOCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 920256899 CBLSIXJYLZPVNG-UHFFFAOYSA-N 433.455 5.728 30 20 IKED N#C[C@@H](C(=O)COc1ccccc1-c1ccccc1)c1nc(-c2c(F)cccc2F)cs1 920804523 SYRATKCIVKARKQ-SFHVURJKSA-N 446.478 6.011 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(F)F)no3)CCC2)cc1 1785841885 BPTQUKJKWDEHJG-UHFFFAOYSA-N 431.483 5.352 30 20 IKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)C4CC5(CCC5)C4)CCC3)cc2)c1 1786041524 YOVCMPACMUJSLA-UHFFFAOYSA-N 441.575 5.205 30 20 IKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)ccn1 1789508055 HGHTXNHFAOAUCR-UHFFFAOYSA-N 447.655 5.189 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cc4ncsc4[nH]3)cc2)CCC1 1789667419 PMJPPHDAQOFPOZ-UHFFFAOYSA-N 434.565 5.141 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3ccc4ncccc4c3)CCC2)cc1)C(F)(F)F 1791303142 MOEOEUGGHUACHM-UHFFFAOYSA-N 439.437 5.101 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CC(F)(F)F)CCC3)cc2)c1 1792122162 DRNWYUQKXOCNRD-HNNXBMFYSA-N 429.442 5.014 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3ncccc3c2)[nH]n1 1814443528 YVYFFZCXTAWPKZ-QFIPXVFZSA-N 445.567 5.256 30 20 IKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[nH]n1 1822404064 OGMFPCYPQWWPBT-FQEVSTJZSA-N 443.507 5.033 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 1823701273 FJSTXBQWGLFSGL-OAQYLSRUSA-N 435.395 5.193 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](F)c2ccccc2)CC1 1828821264 IUDOVOGBMBEPAA-SGNDLWITSA-N 426.576 5.085 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(C)cccc3[nH]2)CC1 1828828918 USHQZNWVWGTZHG-GJZUVCINSA-N 447.623 5.478 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3cccnc3)cc2)CC1 1830452337 WFUQDHLKKPEFSZ-QFQXNSOFSA-N 445.607 5.194 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3cccnc3)cc2)CC1 1830452338 WFUQDHLKKPEFSZ-RLWLMLJZSA-N 445.607 5.194 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc(C)cc(F)c2)CC1 1831949893 GZMAZKVAXCWLKU-RUZDIDTESA-N 440.603 5.065 30 20 IKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)C1 1846896736 MDIIBTRKAUCMMX-UHFFFAOYSA-N 441.786 5.232 30 20 IKED C=CCNC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CCC2 15855601 BIPIQBZJHZFACR-UYTDBDHRSA-N 432.545 5.021 30 20 IKED C=CCN(C(=O)c1ccc(NC(C)=O)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 18085163 NYKUOOANRDCJAL-UHFFFAOYSA-N 446.359 5.908 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)n1 21514658 MOZWSVYYIYDTJY-SECBINFHSA-N 434.270 5.707 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)CCC)nc2scc(-c3cccs3)c2c1=O 21953645 SYAHPLVITYZCRZ-ZIAGYGMSSA-N 447.651 5.158 30 20 IKED CCCN/C(S)=C(/C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccc(C(CC)CC)cc1 22805869 LYQCYKUOFFTYLH-UHFFFAOYSA-O 428.578 5.033 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(C)no2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 31698584 NVQUKFIREDXKAL-LBPRGKRZSA-N 442.541 5.303 30 20 IKED N#CCc1ccc(OC[C@H](O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 61728976 CVUYAAUVXUAHMU-QFIPXVFZSA-N 441.556 5.342 30 20 IKED C=CCOc1ccc(C(=O)Nc2cc(COc3cccc(F)c3)ccc2OC)cc1OC 63711769 RKOGIGUHAPWCST-UHFFFAOYSA-N 437.467 5.239 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccnc2N2CCCCC2)cc1Cl 107877286 MNOVJDUMDFKVRY-JOCHJYFZSA-N 430.939 5.633 30 20 IKED N#CCOc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)c1 107964632 XATWKLGDGPTJBT-UHFFFAOYSA-N 428.879 5.347 30 20 IKED COc1ccc2oc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c(C)c2c1 108377226 CLNXLYUZXRQJAZ-UHFFFAOYSA-N 426.472 5.647 30 20 IKED C[C@@H](CCC(=O)Nc1ccc(C(C)(C)C#N)cc1)CC(=O)Nc1ccc(C(C)(C)C#N)cc1 195611037 YWXUSDIXASDHJH-IBGZPJMESA-N 444.579 5.673 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N(Cc2ccco2)c2ccccc2)n1 302853976 ZPWYUIOXEBAEGY-UHFFFAOYSA-N 431.439 5.199 30 20 IKED C=CCN(C(=O)Cc1c(C)nn(C)c1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 302944577 KTZQSBYLFBUPBH-UHFFFAOYSA-N 435.380 5.229 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)c1cc(F)ccc1OC 409520400 LIWRHRGLOCWDBQ-CYBMUJFWSA-N 439.300 5.195 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CCOC4(CCCC4)C3)cc2Cl)c1 426080819 YUYYGXVPINEBNR-HXUWFJFHSA-N 439.943 5.404 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1cc(F)c(F)c(O)c1F 426938727 BVTLCBCAVODDJW-UHFFFAOYSA-N 433.226 5.022 30 20 IKED CC(C)(c1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1)C(F)(F)F 428432696 FEBLFGIAPUPGMM-UHFFFAOYSA-N 428.410 5.822 30 20 IKED CCC(C)(C)OCc1cccc(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1C 428766695 IJXHYAVGCKHOAI-UHFFFAOYSA-N 438.547 5.065 30 20 IKED Cc1c(C#N)cccc1NC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 432838472 AUAYXDKKCJGSNT-UHFFFAOYSA-N 434.293 5.134 30 20 IKED CC(C)Oc1cc(O)ccc1NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 433512541 WZSQEWXCNRWLHO-UHFFFAOYSA-N 431.492 5.468 30 20 IKED C[C@@H]1C(=O)CC[C@@H](C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)C1(C)C 436064043 UWBZXVDTSDVLHL-WBMJQRKESA-N 449.498 5.204 30 20 IKED CCO[C@H](C)c1nc(CC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cs1 437460033 LCUISHVWDPTGHB-CQSZACIVSA-N 425.485 5.225 30 20 IKED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C 437520879 ZFZGPTFFQNYOCD-JTSKRJEESA-N 438.597 5.069 30 20 IKED COC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1ccc(F)cc1 438217334 ROTCOFOBBDGLHO-NRFANRHFSA-N 435.455 5.007 30 20 IKED CCCc1c(NC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cnn1-c1cccc(C#N)c1 439677972 LJDSXQUVQPNOMF-OFNKIYASSA-N 449.942 5.002 30 20 IKED C=CCn1c(SCC(=O)N2C[C@H](C)CC[C@@H]2C)nnc1-c1ccc(Cl)cc1Cl 440405312 JOMLWLJZQUBDDO-KGLIPLIRSA-N 439.412 5.177 30 20 IKED C=CCC[C@@H](NC(=O)Cc1csc(-c2cccnc2)n1)c1ccc(C(F)(F)F)cc1 441577947 ACCLINFYGINPMW-LJQANCHMSA-N 431.483 5.590 30 20 IKED N#Cc1ccccc1/C=C\c1nc(CC(=O)Nc2nc(-c3ccccc3Cl)cs2)no1 445419212 SCLPONXCMXBBMZ-KTKRTIGZSA-N 447.907 5.070 30 20 IKED C[C@H](C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F)c1cccc(C#N)c1 462395813 VRWQHTOMDNTYPT-MGPUTAFESA-N 437.893 5.057 30 20 IKED O=C([C@@H]1CCCC[C@@H]1C(F)(F)F)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 466502578 JHGTWQDCDVCTJM-KGLIPLIRSA-N 425.388 5.861 30 20 IKED Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 468163671 HJDPNZOWVWUYOU-LJQANCHMSA-N 429.520 5.670 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1ccccc1Oc1cc(F)cc(F)c1)c1ccccc1 468878179 HCEBIFMJVFJCFO-UHFFFAOYSA-N 449.457 5.423 30 20 IKED Cc1ccc(OCc2nc(CNc3ccc4c(c3)CCC(=O)N4CCCC#N)cs2)cc1 468970952 OXWRJDPSLYRIIP-UHFFFAOYSA-N 446.576 5.226 30 20 IKED Cc1nc2c(s1)CCC[C@H]2C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 468984779 MMSKJYRILHEAFI-GOSISDBHSA-N 437.952 5.614 30 20 IKED CC(=O)N(c1ccccc1)c1nc(COc2ccc(Br)cc2C#N)cs1 469011621 RPTVEBSZYWKKTK-UHFFFAOYSA-N 428.311 5.041 30 20 IKED N#CCC[C@@H](NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1 469025108 PMVDEUQWNOXXQV-LJQANCHMSA-N 443.334 5.527 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H](c2c(F)cccc2F)C1 469672594 CENADVYXHQPHLX-HXUWFJFHSA-N 447.485 5.745 30 20 IKED COc1cc(C)c(Br)cc1NC(=O)c1cn(CCCC#N)c2ccccc12 469802124 SAEDWXXUIQCHKY-UHFFFAOYSA-N 426.314 5.277 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CNc2ccccc2COCc2ccccc2)c1C 470543943 PEYPBXCUFMWDPR-UHFFFAOYSA-N 427.548 5.379 30 20 IKED CCCn1ccc2cc(NC(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)ccc21 470569943 MUVTWRMLMXLQOE-UHFFFAOYSA-N 429.524 5.278 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 471120884 CXJBHCREDMWILL-FQEVSTJZSA-N 442.906 5.093 30 20 IKED CN(C(=O)c1ccc(Cl)c(NCc2nnc(-c3cccc(C#N)c3)o2)c1)c1ccccc1 471670060 YVXYSSZTUAJZCR-UHFFFAOYSA-N 443.894 5.150 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCn1c(C)nc2ccccc21 476021293 BWTALNMOQBDWKB-UHFFFAOYSA-N 426.495 5.287 30 20 IKED COc1cccc(C2=CCN(C(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)CC2)c1 476136244 FOBNJWHPABCFHX-UHFFFAOYSA-N 440.547 5.019 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCc1nnc(-c2ccccc2)o1 476653039 CESGTZDNFQNMAW-UHFFFAOYSA-N 439.475 5.073 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(-c3cncnc3)cc2F)cc1F 478119847 FIVPENJBMJHGCU-UHFFFAOYSA-N 428.398 5.338 30 20 IKED CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 479941495 NPRFPDPLNFLSNV-JOCHJYFZSA-N 441.600 5.304 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2cnn(-c3ccc(C)cc3)c2C(C)C)c1C#N 481868338 VBRUBAGEJPNQPD-UHFFFAOYSA-N 431.565 5.422 30 20 IKED N#Cc1cc2c(nc1NC(=O)Cc1csc(-c3cccc(C(F)(F)F)c3)n1)CCCC2 484160478 HXPPYTPNHCIKHW-UHFFFAOYSA-N 442.466 5.156 30 20 IKED CCc1c(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cnn1-c1ccccc1Cl 485352742 FKHHVTGEBNHKIN-AVRDEDQJSA-N 433.943 5.392 30 20 IKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N[C@@H](CCCC#N)c3ccccc3)c12 487273798 VGIYPIWVAXDUIM-IBGZPJMESA-N 429.549 5.170 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc4ccccc4[nH]3)s2)c(C(F)(F)F)c1 487441069 DZTBFYVLFSZCOC-UHFFFAOYSA-N 426.423 5.358 30 20 IKED COc1ccccc1[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccco1 489548885 GWXKPRGMXWRDKQ-QFIPXVFZSA-N 444.516 5.118 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)s2)c(F)c1 501302990 PCXQHHYDFGCZMK-CQSZACIVSA-N 435.402 5.170 30 20 IKED COc1cc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1NC(C)=O 502321409 VJHVMNVEPQGGRC-FQEVSTJZSA-N 448.910 5.606 30 20 IKED O=C(CCOCC(F)(F)C(F)F)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 503312394 LREMXUGORRVSFY-AWEZNQCLSA-N 435.767 5.233 30 20 IKED CCCCOc1c(Cl)cc(C(=O)Nc2nc(C)c(SCC#N)s2)cc1OC 504788701 ZZODQHXORKYQNH-UHFFFAOYSA-N 425.963 5.160 30 20 IKED COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)NCCCCC#N)cc1 505094574 UQBTVTLUWBIRNN-CZIZESTLSA-N 425.532 5.544 30 20 IKED CC(C)(C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1cc(F)cc(C#N)c1 506500376 UIIBJKDLDPFZCM-UHFFFAOYSA-N 425.479 5.272 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1 507909018 PAKSDTZAYVIOGZ-UHFFFAOYSA-N 434.455 5.250 30 20 IKED C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@@H](c2nccs2)C1 508700389 SJTVXRYAHBELSC-LJQANCHMSA-N 437.613 5.315 30 20 IKED CN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510040809 BKKHRJMAGALPIA-LJQANCHMSA-N 425.866 5.938 30 20 IKED COc1cc(CN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc(OC)c1 510580845 UOJZXDIOXOQNPC-UHFFFAOYSA-N 445.519 5.013 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 510985227 MMTFOYHBABVSBF-UHFFFAOYSA-N 432.911 5.152 30 20 IKED C[C@H](Nc1cccc(OCCCC#N)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 511006068 WGFMTFMOSSCBQH-ZDUSSCGKSA-N 425.838 5.480 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cc(-c3ccccc3)no2)cc1 511326745 WRYHHWFAQOXUKX-UHFFFAOYSA-N 438.487 5.308 30 20 IKED COc1cccc([C@@H]2CCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 511477243 OTANEHNYYOAATI-DEOSSOPVSA-N 440.503 5.188 30 20 IKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 511617481 SAGJIYXFQADXLQ-UHFFFAOYSA-N 432.499 5.085 30 20 IKED Cc1ccc(-c2csc3nc(CSc4nnc(C)c(C)c4C#N)nc(O)c23)s1 511864566 RPLWLOXEHSOXQQ-UHFFFAOYSA-N 425.564 5.005 30 20 IKED CCCOc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 512336927 FJDSOQNDUGOQHT-UHFFFAOYSA-N 445.544 5.330 30 20 IKED N#Cc1cccc(COc2cccc(CNc3ccc(F)cc3OC3CCOCC3)c2)c1 512879927 MAJLMLYZTATNGR-UHFFFAOYSA-N 432.495 5.446 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)c1 513243454 HIWCQSGOKMEVAN-UHFFFAOYSA-N 444.384 5.470 30 20 IKED C=CCn1c(SCC(=O)N(CC)c2ccccc2F)nnc1-c1ccc(Cl)cc1 514533223 GVLMRDLWEVIAFK-UHFFFAOYSA-N 430.936 5.069 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1c(Cl)ccc(C)c1Cl 515693717 CBUWTFDIRQXXHG-UHFFFAOYSA-N 448.331 5.470 30 20 IKED C=CCN(C(=O)[C@@H]1C[C@H]1c1cc2c(cc1OCC)C[C@@H](C)O2)c1nc2c(s1)CCCC2 517399497 GVSRBMDERITSFT-HHXXYDBFSA-N 438.593 5.067 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1ncc(C(F)(F)F)cc1Cl 517448892 MPKYFUNCNYQTMV-NSHDSACASA-N 445.919 5.879 30 20 IKED Cc1nc2ccccc2n1Cc1cc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)ccc1Cl 517666621 ZMPZRRROLZLEPF-MRXNPFEDSA-N 444.922 5.324 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)Nc1ccc(C(C)(C)C#N)cc1 518581159 WQCCKLVWUCNBTH-HNNXBMFYSA-N 438.984 6.456 30 20 IKED CC(C)c1ccc(CN(C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C2CC2)cc1 518751121 GDNCRUUHSDCNMX-SFHVURJKSA-N 435.593 5.334 30 20 IKED CC1CCC(OC2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)CC1 518755852 OZEPFNFFXRMHIE-UHFFFAOYSA-N 433.552 5.942 30 20 IKED COc1ccc([C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c2ccc(C)cc2)cc1 520325993 GMFTYCAQOIRDAM-HHHXNRCGSA-N 449.510 5.582 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3C[C@H]3c3ccc4ccccc4c3)s2)cc1 521752581 XACNAQSQDQKTEY-SFTDATJTSA-N 442.569 5.597 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 522603381 VWQIDCZXSWERHG-JGCGQSQUSA-N 448.588 5.364 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCCN(c2ccccc2)C1 523786871 LBZOQXBYJUHGLZ-OAQYLSRUSA-N 426.520 5.450 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCCN1Cc1ccccc1 524139598 PIHKIAIIBLXURP-AREMUKBSSA-N 425.532 5.049 30 20 IKED C[C@H](c1cccs1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524441669 VULIWHDZWNIDNO-OAHLLOKOSA-N 425.941 6.077 30 20 IKED CCN(Cc1cccc(Br)c1)C(=O)Nc1ccccc1SC[C@@H](C)C#N 524565113 HYOXLQGTHHKLSW-HNNXBMFYSA-N 432.387 5.755 30 20 IKED Cc1cc(Br)c2oc(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc2c1 525945218 NGXWGCQVFBAZIU-UHFFFAOYSA-N 439.309 5.059 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Nc2cccc3c2CN(c2nccs2)C3)c1 533952769 CHJHNEKJTFOJJM-LJQANCHMSA-N 445.592 5.027 30 20 IKED C=CCN(C(=O)c1cnc2ccc(F)cc2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 533971591 OLVFCGVGZOEZIZ-UHFFFAOYSA-N 434.452 5.238 30 20 IKED COc1cccc(COc2cccc(NC(=O)N[C@H](CCC#N)c3ccccc3)c2C)c1 534484995 TURKJOWVHZURMM-XMMPIXPASA-N 429.520 5.749 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc(N4CCCC4=O)ccc3Cl)cc2)cc1 535531170 ZPCVDJBCLQWBEY-UHFFFAOYSA-N 431.879 5.383 30 20 IKED COc1cc(C[S@](=O)Cc2cccc3cccnc23)ccc1OCc1cccc(C#N)c1 535591866 FSKVKBAGSAXKMQ-YTTGMZPUSA-N 442.540 5.143 30 20 IKED N#C[C@H](NC(=O)c1cc(Br)cc2cccnc12)c1cccc(C(F)(F)F)c1 536186235 ZMWWTEGRABCULY-INIZCTEOSA-N 434.215 5.011 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cnn([C@@H](C)CC)c1C1CC1 536516320 WYOMIEGMJCKMJF-AWEZNQCLSA-N 449.368 5.853 30 20 IKED CCN(CC)C(=O)c1cccc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1 538082793 VZWZGGUHYMRTCH-UHFFFAOYSA-N 426.520 5.029 30 20 IKED FC(F)n1c(CN[C@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)nc2ccccc21 542947661 GJDCTZPVRQNNAR-OAHLLOKOSA-N 439.306 5.723 30 20 IKED C[C@H](NC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C)c1ccc(C#N)cc1 548971132 LYKFXXPJLUVHAP-ICJFFHGUSA-N 436.987 5.186 30 20 IKED CN(CCC(F)(F)F)[C@@H](CNC(=O)c1cc(C#N)ccc1Cl)c1ccc(Cl)cc1 552306074 FFUHARRUCJPPFW-SFHVURJKSA-N 444.284 5.220 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(SC4CCCC4)cc3)CC2)c(F)c1 554392574 RYQZRZUDTBMVII-UHFFFAOYSA-N 439.556 5.807 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)cc2)cc1 554415314 NWBKNBACDFCHTC-TWJOJJKGSA-N 439.515 5.387 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3occc3CSc3ccccc3)cc2)ccn1 582935618 FYFPMUHKYHLEFA-UHFFFAOYSA-N 427.485 5.883 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c2)cc1 589303048 CUORLJDIVXVDGR-UHFFFAOYSA-N 440.543 5.841 30 20 IKED CN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 589363360 GJMBFJLKFNWJJW-UHFFFAOYSA-N 426.398 5.428 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)N(C)c3ccc(C#N)cc3F)c2)cc1 591669127 RAZGHIQBFGUYPY-UHFFFAOYSA-N 430.479 5.075 30 20 IKED CCOc1ccc(N(C(=O)[C@H](C)Oc2ccc(C#N)cc2)c2nc3ccccc3s2)cc1 602016585 HFVHHKLQWFVWCI-KRWDZBQOSA-N 443.528 5.699 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OCC 609439015 SEOCKNICPRXDEJ-IAGOWNOFSA-N 427.570 5.761 30 20 IKED Cc1nc(-c2ccccc2)c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)s1 609503966 BYLJTHMZDGNJBQ-UHFFFAOYSA-N 425.513 6.229 30 20 IKED COc1cc(CS[C@H](C)C(=O)N2CCC(C)CC2)ccc1OCc1cccc(C#N)c1 609741061 AUDHUHVTHHFQSK-LJQANCHMSA-N 438.593 5.026 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCc2cccc(OC3CCCC3)c2)c1C 610054106 QKNZWQAIRBPDEI-UHFFFAOYSA-N 428.536 5.254 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)nn1 610184277 NRDBEULYIULFDH-UHFFFAOYSA-N 438.512 5.853 30 20 IKED COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)N[C@H](C)c2cccc(C#N)c2)CCC3)cc1 610403126 YAHLHIWTZYUELK-VFNWGFHPSA-N 432.549 5.128 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C[C@H](C(F)(F)F)O1 610414984 IJIDLISXKVHHNY-KZULUSFZSA-N 439.821 5.187 30 20 IKED N#CC(CCN1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)(c1ccccc1)c1ccccc1 618283310 MICMKLXOFKHCIQ-KDURUIRLSA-N 426.404 5.559 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1c(Cl)cc(F)cc1Cl 683304489 RMRCUBVILLFOQN-BQBZGAKWSA-N 426.159 5.772 30 20 IKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc3c(c2)CCC3)cc1 726571528 WTTWIWUFPHMESX-UHFFFAOYSA-O 446.983 5.620 30 20 IKED Cc1ccc(N2C[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)CC2=O)cc1 730995018 NHTGQQHNUFOADB-HNNXBMFYSA-N 447.482 5.011 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccccc2SCc2c(C)noc2C)c1 733787377 QFDXWNLBMJMNOM-IBGZPJMESA-N 435.549 5.195 30 20 IKED Cc1cc(NC(=O)c2cccc(COc3ccccc3C#N)c2)ccc1N1CCSCC1 734102082 FPHPROGETCQNMN-UHFFFAOYSA-N 443.572 5.251 30 20 IKED O=S(=O)(O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1ccc(Br)s1 734154187 WDRLZBTYCXWYIZ-SNVBAGLBSA-N 449.697 5.043 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(OCc3ccccc3C)cc2)cs1)C1CC1 734304381 IBWXWPKGWIHNBV-ZROIWOOFSA-N 432.545 5.442 30 20 IKED C[C@H](OC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)C(=O)Nc1ccccc1C#N 735166005 WHTPKNADJUBUKZ-HNNXBMFYSA-N 445.862 5.060 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1)C(C)C 735171907 PTNAFYXUBLRTPY-SANMLTNESA-N 440.547 5.743 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)ccc1OCC(C)C 735232298 LJSYZWHFVZFWFX-WZUFQYTHSA-N 438.492 5.013 30 20 IKED N#CCOc1ccc(Cl)cc1CS[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 735317973 HUCDQZWJCXUXEI-SFHVURJKSA-N 440.874 5.300 30 20 IKED Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740443600 GIVVZIDDEHEMAP-UHFFFAOYSA-N 446.576 5.303 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)C(=O)Nc3ccc(-c4ccccc4)cc3)c2)s1 740507350 KQMIZCDURIPGSL-UHFFFAOYSA-N 437.524 5.209 30 20 IKED CSc1ccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 741113657 OEKIWYROMXVCMX-IUODEOHRSA-N 430.501 5.454 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(OCC3CCCCC3)CC2)cc1 743092966 IWIKKRHMXCOCFP-SANMLTNESA-N 431.580 5.935 30 20 IKED CCCC(=O)Nc1ccc(O)c(C(C)=NNc2nc3cc(C(F)(F)F)ccc3s2)c1 743445333 PNTZPCSQDYLMRA-UHFFFAOYSA-N 436.459 5.595 30 20 IKED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)c1 743449335 NDPAHLKMJOHPNB-OAHLLOKOSA-N 446.315 5.087 30 20 IKED C=CC[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Oc1cccc(C)c1)c1ccncc1 749725739 ANWHKBYAQNAYIT-HXUWFJFHSA-N 435.911 5.208 30 20 IKED CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 751543856 SOMMCSZQHRPNMO-CLJLJLNGSA-N 445.538 5.705 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2cccc(CN(C)Cc3ccccc3)c2)cc1C#N 752203620 HDEJCQMGNXFRGD-UHFFFAOYSA-N 442.519 5.011 30 20 IKED N#Cc1ccc(CNC(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)cc1 752309116 LBFGGVYSIVTJGH-UHFFFAOYSA-N 429.867 5.269 30 20 IKED N#C[C@H](C(=O)CCCc1ccc(F)c(F)c1)C(=O)Nc1ccccc1Oc1ccccc1 756234133 QWMBFCMMNKXGJG-LJQANCHMSA-N 434.442 5.427 30 20 IKED Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 756303376 VPLTWLIZZVNPJQ-XMSQKQJNSA-N 432.593 6.455 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2(c3ccc(F)cc3F)CCOCC2)cc1 760734464 JGRYJYNJYVGRHM-JOCHJYFZSA-N 447.485 5.448 30 20 IKED COc1ccc(COCCCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 760968636 LEKZDGQXAKAVPY-QGZVFWFLSA-N 448.466 5.497 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCCCN3Cc3ccc(F)cc3)n2)cc1 760974980 UMXKTQWBBFSUMF-FYYLOGMGSA-N 449.551 5.189 30 20 IKED CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)ccn1 766154208 DBKNVDHDIADLMR-UHFFFAOYSA-N 444.491 5.023 30 20 IKED C=CC[C@H](NC(=O)N1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1)c1ccncc1 774873553 JVWMKRCGDAOUPP-FPOVZHCZSA-N 448.592 5.420 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](c3c(F)cccc3Cl)N(C)C)n2)cc1 778606398 MTDQMVDLWRIKHP-YWZLYKJASA-N 427.932 5.390 30 20 IKED COc1ccc(CC[C@H]2CCCCN2C(=O)Nc2ccccc2O[C@H](C)C#N)cc1OC 780671265 VVCZNFFKONHROY-UYAOXDASSA-N 437.540 5.014 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)c2ncsc2-c2ccccc2)n(C2CCCC2)c1C 782380992 QSGMLRGILXAUTQ-UHFFFAOYSA-N 448.548 5.011 30 20 IKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCC#N)c1 784127421 SYHQPRATOUHBRC-QFIPXVFZSA-N 448.592 5.184 30 20 IKED CC[C@@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1ccccc1 787031748 MWNUIKWWWUFPTB-PZJWPPBQSA-N 433.895 5.117 30 20 IKED CC[C@H](NC(=O)[C@@H](C#N)C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1ccccc1 787032648 RICROHYORZSOQC-HOTGVXAUSA-N 443.981 5.044 30 20 IKED Cc1cc([C@H](CC(=O)Nc2ccc(C#N)cc2Cl)NC(=O)OC(C)(C)C)cc(Cl)n1 788453162 LKELOCSYTWLQGJ-KRWDZBQOSA-N 449.338 5.163 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3ncc4n3CCCC4)CC2)cc1 788571695 LVFHBDKJFPXNRR-VWLOTQADSA-N 439.563 5.286 30 20 IKED CC(C)(C)n1ncc2c(O)nc(NN=C3CCC[C@H]3c3cccc(C(F)(F)F)c3)nc21 789017695 JXWASWGLXJBKGI-AWEZNQCLSA-N 432.450 5.041 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)[C@H]1OCCc2sccc21 796760534 AKRWTHPIHSXGCL-ADYAMRHXSA-N 428.966 5.651 30 20 IKED C[C@@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(C(F)(F)F)cc1 798820059 AHFUSVSIUZMKDA-RISCZKNCSA-N 436.405 6.087 30 20 IKED CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)c(Cl)c1 799213628 UZDDPEGCZYNOLF-INIZCTEOSA-N 440.327 5.113 30 20 IKED N#CC1(CCCOC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)CCOCC1 800126310 PRKRWQFYNRWYOU-UHFFFAOYSA-N 439.899 5.043 30 20 IKED Cc1sc2ncn(N=Cc3cc(O)cc(C(F)(F)F)c3)c(=O)c2c1-c1ccccc1 811632365 MHAZQRVEVBQZQL-UHFFFAOYSA-N 429.423 5.040 30 20 IKED O=C(/C=C/c1cc(C(F)(F)F)ccc1Br)c1ccc(C(F)(F)F)nc1O 811688069 MNBUIBKBZVOGHX-ORCRQEGFSA-N 440.137 5.483 30 20 IKED COc1cc(C=NOCC(=O)Nc2ccccc2Oc2ccccc2)ccc1OC(F)F 849959755 JINODIWXCRAKLG-UHFFFAOYSA-N 442.418 5.078 30 20 IKED COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3c[nH]c4ccccc34)cc2OC)o1 915271537 ZSYDXFXINSNDBY-JXMROGBWSA-N 431.444 5.031 30 20 IKED C[C@@H](Cc1ccccc1Cl)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 916691916 MWRVKOPYSMAKIE-ZDUSSCGKSA-N 443.985 5.108 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1NC(=O)c1ccccc1 916918425 OYULOLSBBPLUSG-HSZRJFAPSA-N 447.494 5.362 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3sc4ccccc4c3s2)cc1Cl 916938032 KHXQDXUCPNDVNT-CYBMUJFWSA-N 440.933 5.739 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)cc1 916953180 RXWOOIIVCMZMAY-RDELFYGPSA-N 436.920 5.438 30 20 IKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)C2)c1 917428598 CNOFJSKWMOWCPH-PZJWPPBQSA-N 444.560 5.239 30 20 IKED CCCn1c(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)nc2ccccc21 917537971 DMYVRBURNUAXFH-UHFFFAOYSA-N 431.352 5.183 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(CC3CCCCC3)CC2)cc1 918034323 NWIMXBSBJOXLQR-SANMLTNESA-N 430.596 5.462 30 20 IKED COc1cccc(/C=C/c2cc(C(=O)O[C@@H](C)C#N)c3cc(Br)ccc3n2)c1 920703808 SLVNJCLIJFJHMG-OWNNVSBGSA-N 437.293 5.245 30 20 IKED CSc1nc(O)c(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1C#N 1264064732 YVINDPBOBPGMKZ-UHFFFAOYSA-N 437.333 5.063 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCC2CCCC2)[C@@H]1c1cccnc1 1806198420 RXLPXGRDDPPUFI-VWNXMTODSA-N 425.617 5.050 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@]2(F)CCCC=C2F)[nH]n1 1819557306 FXJBUQKIIBDGEM-UZUQRXQVSA-N 434.531 5.140 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3nc(C)ccc3o2)CC1 1828824605 MAGCUMZNMVFHMW-JTHBVZDNSA-N 449.595 5.138 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cccs2)CC1 1829067284 HFRUYEISROVIMG-NEQMZLFVSA-N 428.642 5.373 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C(C)=C/c2ccc(C)o2)CC1 1829069027 FXUUTQAFAGDGLS-ARHOYUFESA-N 440.628 5.603 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)c(OC)c2)CC1 1830068187 VKFWYNSHGAPUGX-ZEQRLZLVSA-N 438.612 5.005 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(C)C)cc2)CC1 1831447077 WSLZQSOJQSBOFL-QFIPXVFZSA-N 432.555 5.255 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)CCSc3ccc(Cl)cc3)s2)cc1 14621522 RHSHDKMDGJEECX-UHFFFAOYSA-N 447.010 5.476 30 20 IKED O=C(/C(=C(\S)Nc1cccc2ccccc12)[n+]1cccc(O)c1)c1cc(F)ccc1F 22693277 ZMZIFBVHGJYOCU-UHFFFAOYSA-O 435.475 5.162 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3cccc(Cl)c3)o2)cc1 26192963 DAKYTAGOSIXFMU-OAHLLOKOSA-N 426.929 5.126 30 20 IKED CC(C)(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc3c(c2)OCCO3)[n+]2ccccc2)cc1 28649236 YRLBVVARELIXKU-UHFFFAOYSA-O 447.580 5.094 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 63423828 NOVHCPDNNJWTAH-UHFFFAOYSA-N 445.906 5.157 30 20 IKED COc1cc(C)c([C@@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cc1OC 97393151 DHVPCLZIVTYTHU-QGZVFWFLSA-N 432.545 5.526 30 20 IKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)ccc1OCCC(C)C 105263167 CNWFVILPNBJODF-NRFANRHFSA-N 430.504 5.234 30 20 IKED N#C[C@@H](C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1nc(-c2ccncc2)cs1 195662428 VWZMXPIQLNTDLV-NRFANRHFSA-N 434.524 5.698 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccccc2Cn2cccn2)cc1 302911356 NJRZPMICSBASPV-UHFFFAOYSA-N 438.556 5.025 30 20 IKED N#CCCn1ncc(C(=O)N(CCc2ccc(Cl)cc2)CC2CC2)c1-c1ccccc1 428732980 JJOKLNUYDJUSLP-UHFFFAOYSA-N 432.955 5.212 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N[C@H](CCCC#N)c3ccccc3)s2)cc1 431930284 FBMVOSVEXRAILV-DENIHFKCSA-N 432.593 6.222 30 20 IKED C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)N[C@@H](CCCC#N)c2ccccc2)C1 432707100 WWFDSMGRVOJSBC-VIZSFHNOSA-N 432.568 5.361 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3ccccc3[C@H]2CO)cc1Cl 434220753 PCNFONQCNXWZPF-ISKFKSNPSA-N 431.923 5.119 30 20 IKED CC(C)[C@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccnc1 435104666 RSXLEQVQYBCJFN-DEOSSOPVSA-N 428.536 5.288 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cc(F)c(F)cc1Br 435266456 GZSQBKHSMHXACL-UHFFFAOYSA-N 445.288 6.002 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)Nc1ccccc1S[C@H](C)CC#N)C1CC1 438039669 FZGSKICBCQQXIX-CVEARBPZSA-N 447.526 6.857 30 20 IKED Cc1c([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)cnn1C 438511260 GHBVWHIZNHNVQG-ZDUSSCGKSA-N 443.429 5.294 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(-c4csc(C)n4)c3)n2)cc1 442877002 QJSNNTXXLNCPCP-IBGZPJMESA-N 431.542 5.741 30 20 IKED C=CCN(C(=O)[C@H]1SCCc2sccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 443818694 SRKQMKFNZLDRFW-SFHVURJKSA-N 443.575 5.329 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)c2)c1 444860806 QXOUFPUSSCFOOY-UHFFFAOYSA-N 445.478 5.384 30 20 IKED CCOC(=O)[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)Cc2ccccc21 448406300 KBZXCKAEAZOWAO-DEOSSOPVSA-N 441.487 5.045 30 20 IKED COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CSc1ccc(C#N)cc1)CCO2 460267967 NOICDYOBKROMHW-XMMPIXPASA-N 444.556 5.212 30 20 IKED Cc1nc(NC(=O)[C@@H](C)c2cccc(C#N)c2)sc1-c1nc2ccccc2n1C(F)F 461770985 CCSBTXZZWRYOOJ-LBPRGKRZSA-N 437.475 5.477 30 20 IKED N#Cc1cccc(-c2nnc(N3CCC[C@H]3c3ccc(Cl)cc3)n2C[C@@H]2CCCCO2)c1 461847163 XNEVNDMMIRJUQG-GOTSBHOMSA-N 447.970 5.381 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 464142210 OECGVIWYTCFQNB-UHFFFAOYSA-N 437.883 5.205 30 20 IKED COc1cccc([C@@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2ccccc2Cl)c1 466040317 UXSVJTXGKPOFON-HSZRJFAPSA-N 433.939 6.061 30 20 IKED N#CCCCOc1cccnc1NC(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21 466599402 URSRTNBYRWAKDI-NRFANRHFSA-N 428.492 5.076 30 20 IKED C[C@@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C[C@H]1n1ccnc1 469512374 QUQCVQXIRDUOMM-FRGLQRNOSA-N 433.943 5.307 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)CCc3ccc(C#N)cc3)C2)n1 470403040 HHMQOSQDGHXVJU-HXUWFJFHSA-N 431.561 5.029 30 20 IKED CN1CCC(Nc2ccccc2NC(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 480873653 DDBFZSZSFBDXJV-UHFFFAOYSA-N 442.588 5.468 30 20 IKED CS(=O)(=O)c1cccc([C@H](N[C@@H]2CCCCc3cc(C#N)ccc32)c2ccc(F)cc2)c1 481678431 PXGPRDPMLQVPBX-CLJLJLNGSA-N 448.563 5.248 30 20 IKED CN(C(=O)CCOCC(F)(F)C(F)F)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 485682039 YYTMTTPLVJCIPG-GFCCVEGCSA-N 443.281 5.074 30 20 IKED CO[C@H](C)c1nc(C)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)s1 486676746 UEUCQFATCCMHJK-CYBMUJFWSA-N 427.913 5.729 30 20 IKED C=CCn1c(S[C@H](C)c2nc(N)c3c(C)c(C)sc3n2)nnc1-c1cccs1 489393478 PCUKNBWQTZTJKP-GFCCVEGCSA-N 428.612 5.250 30 20 IKED N#Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cnc1C(F)(F)F 496031521 ZDKLYKPOWLQLKA-AWEZNQCLSA-N 432.814 5.239 30 20 IKED CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc1 498616299 IPQXJFAHCAHGQV-QHCPKHFHSA-N 438.593 5.039 30 20 IKED C=CCN(C(=O)c1sc(-c2ccc(Cl)cc2)nc1C)c1nc(C(=O)OCC)cs1 501957753 XXWLLGREUQICHH-UHFFFAOYSA-N 447.969 5.238 30 20 IKED CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)c1 502213381 PMGSCZCPRVRFIA-IBGZPJMESA-N 441.531 5.052 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C 503137835 OKPKHBZVQPWRCO-RCDICMHDSA-N 447.988 5.211 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC(n3cc(Cl)cn3)CC2)c1 503205778 DFFADIRSHUJOAZ-UHFFFAOYSA-N 441.318 5.331 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1csc(-c2ncccc2F)n1 507270691 BHJJDEGOMMEZBN-UHFFFAOYSA-N 444.491 5.356 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N[C@@H](c2nccs2)C(F)(F)F)cc1Cl 507602611 PCJISJMALAEKIP-INIZCTEOSA-N 437.830 5.494 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CC[C@H](C(F)(F)F)C3)s2)c(C(F)(F)F)c1 507658965 IHNVKADDCBLXCM-OLZOCXBDSA-N 447.404 5.541 30 20 IKED C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCC2(CC1)OCCc1ccsc12 508793530 IHRVPVSIIOIMGS-UHFFFAOYSA-N 432.549 5.007 30 20 IKED C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2ccccc2F)C1 508870576 ACDDFZLZBGXAJW-FQEVSTJZSA-N 444.963 5.127 30 20 IKED CCN(C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](C)c1ccc(C#N)cc1 509619768 RUJSVAUZNNJKIH-CYBMUJFWSA-N 437.443 5.187 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CSCc2coc(-c3ccccc3)n2)cc1 509689615 VJNZQBSMYITWPG-UHFFFAOYSA-N 441.512 5.877 30 20 IKED Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(N[C@H](C)c3ccc(C#N)cc3F)cc2Cl)n1 512295334 LFVDCTGBAIVIBF-CVEARBPZSA-N 439.922 5.537 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)c1nc(-c2ccncc2)cs1 512963629 HBQIJRSQGJFBCF-SFHVURJKSA-N 433.439 5.766 30 20 IKED CCOc1ccc([C@H](C)NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1OC 513266244 GXUHGCDPXREJGF-SFHVURJKSA-N 430.504 5.036 30 20 IKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)[C@H](C#N)c3nc4ccccc4s3)o2)cc1 513681948 MBPJXQLAGCBWIV-FQEVSTJZSA-N 435.508 6.417 30 20 IKED C[C@@H]1CCCN(Cc2csc(NC(=O)c3cccc(COc4ccccc4C#N)c3)n2)C1 513729815 GYEIAWGFKNMRMG-GOSISDBHSA-N 446.576 5.078 30 20 IKED Cc1cccc(-n2ncc(C(=O)NCc3ccc(F)cc3C(F)(F)F)c2C(F)(F)F)c1 514174758 QJSSWVKURYHJMW-UHFFFAOYSA-N 445.338 5.287 30 20 IKED C[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1ccc(OCc2cccnc2)cc1 514501181 YHRGPJFGEMZFDS-FQEVSTJZSA-N 433.511 5.690 30 20 IKED Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)s2)cc1 515178751 FIZLBCMKNVEASB-HNNXBMFYSA-N 441.557 5.157 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 518245118 QNHVQLKYVRRMAA-KMFTYDHNSA-N 441.641 5.665 30 20 IKED Cn1ccnc1[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1F 519053506 KAQHZTOAVORDQB-HSZRJFAPSA-N 441.466 5.134 30 20 IKED COc1ccc(C)cc1-n1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)n1 520463343 KKFLHQMGZICIGU-SFHVURJKSA-N 428.517 5.111 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Cn3ccnc3)cc2)cc1Cl 524707312 IXIKMNOWEUYPTB-HSZRJFAPSA-N 426.907 5.493 30 20 IKED Cc1ccc(C(=O)NCCSCc2ccccc2C#N)cc1NC(=O)Nc1ccccc1 524913948 ISLDADAEPJDATL-UHFFFAOYSA-N 444.560 5.174 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2ccc(Cl)cc2)n1)c1nc(-c2c(F)cccc2F)cs1 533868086 KUQAZFKQUNMNDR-CQSZACIVSA-N 440.862 5.417 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1CCC[C@H]1c1ccccn1 535003636 FPACKPXRKKRXBO-NRFANRHFSA-N 446.576 5.397 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)c1ccc(CC#N)cc1 535397315 NSAMZUIOVMMZHX-CYBMUJFWSA-N 440.366 5.438 30 20 IKED N#C[C@@H](NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1ccc(OC(F)(F)F)cc1 536632949 GMINHQPDSUXUGG-MRXNPFEDSA-N 428.332 5.017 30 20 IKED CCN(C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1ccc(C#N)c(Cl)c1 536973280 WMZYQZIKNOGNEM-UHFFFAOYSA-N 429.992 5.210 30 20 IKED COc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1OCCOc1ccccc1Cl 537294726 KFBSSRIFNFAEHT-SFHVURJKSA-N 436.939 5.529 30 20 IKED CCN(C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(C#N)c(Cl)c1 538074103 XDGKTEVMIMUOCM-UHFFFAOYSA-N 429.307 5.291 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CNC1(c2c(Cl)cccc2Cl)CC1 540432462 OQEYCUXPZZYMFV-AWEZNQCLSA-N 434.392 5.463 30 20 IKED CC(C)c1noc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1 543980422 DSGLMJKRZMVNRP-LBPRGKRZSA-N 435.290 5.624 30 20 IKED N#Cc1ccc(/C=C/c2nc(Cc3nc(O)c4c(-c5ccccc5)csc4n3)no2)cc1 544920760 NGYOFQMUYFUEOA-ZHACJKMWSA-N 437.484 5.080 30 20 IKED COc1ccc2c(c1)c(C(=O)N1CCC(C#N)(c3ccccn3)CC1)c(C)n2C1CCCC1 548774735 LRCLIZQKGINPFQ-UHFFFAOYSA-N 442.563 5.166 30 20 IKED C=CCN(C(=O)c1ccc2cncn2c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 551548453 XJRGJGPFUAYUJK-UHFFFAOYSA-N 429.332 5.597 30 20 IKED N#C[C@H](NC(=O)c1cc2cc(Br)ccc2o1)c1ccc(OC(F)(F)F)cc1 557644802 QGROUMCGHSQWDS-AWEZNQCLSA-N 439.187 5.089 30 20 IKED CN(C)CCN(Cc1ccc(C#N)cc1)Cc1cccc(NC(=O)c2ccccc2Cl)c1 558416065 MFSMDZFHDLGBKT-UHFFFAOYSA-N 446.982 5.028 30 20 IKED C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 561403700 UOZYOGWTCMSPMM-ZWNOBZJWSA-N 438.347 5.225 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@H](c2ccccc2)c2ccccc21 566836154 QDRKITIOORZQLX-WIYYLYMNSA-N 441.556 5.056 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3scc(C)c3C#N)c3cnn(C(C)C)c3n2)c(C)s1 570727538 YAVRMPLUFHFIBM-UHFFFAOYSA-N 435.578 5.851 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@H](C(=O)c4ccc(F)cc4)C3)cc2)ccn1 578472690 JVVRIIVUVKAZRO-SFHVURJKSA-N 444.466 5.011 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccc5c(c4)OCO5)n3)n2)cc1 588349012 OAUAAHKPTDJGSA-MRXNPFEDSA-N 445.525 5.461 30 20 IKED CN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 603610891 SYQLDKCTIRKWFI-UHFFFAOYSA-N 449.963 5.215 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CSCc1ccc(C#N)cc1 603737382 DOIMGELJAONJME-UHFFFAOYSA-N 429.520 5.344 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCC2 603818316 AKHXFRNAXNIKQW-UHFFFAOYSA-N 431.561 5.865 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 603829006 LTEKMXZASZHCEJ-NRFANRHFSA-N 449.938 5.677 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c1 604327278 DNFYNUGMTKNABT-NRFANRHFSA-N 437.499 5.298 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 608915684 UNULLFNYQUSBLQ-UHFFFAOYSA-N 426.492 5.326 30 20 IKED CC[C@H](c1ccccc1)c1nnc(SCC(=O)N(CCC#N)c2cccc(C)c2C)o1 609019187 LEDLEUUQYQGYRP-HXUWFJFHSA-N 434.565 5.267 30 20 IKED Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c2cnn(C(C)C)c2n1 609103908 IDCVJABSRKVCTA-UHFFFAOYSA-N 443.482 5.163 30 20 IKED C[C@@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1 609387088 KRPZJEAILYKSSL-PMACEKPBSA-N 429.589 5.968 30 20 IKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1Cl 609689777 GBFPBDUJSXYKFN-MGPUTAFESA-N 429.973 5.186 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)n1 610164998 KKBPQESPYQEPFR-SFHVURJKSA-N 449.532 5.295 30 20 IKED CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 611538250 ATIHLXBLXAZBJF-UHFFFAOYSA-N 434.477 5.408 30 20 IKED C=C(C)CN(CC)C(=O)NC[C@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12 612190100 ICEKPEPSFSZUNO-OAQYLSRUSA-N 435.568 5.315 30 20 IKED C[C@@]1(C#N)CCCN(C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)C1 612306270 XBVPCIMQHBFYAH-NRFANRHFSA-N 430.430 5.115 30 20 IKED CC(C)(C)[C@H](NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)cc1 616089774 FWZWXQMHQDRAED-HEHGZKQESA-N 442.419 6.122 30 20 IKED C[C@H](c1ccc(F)cc1)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 616947432 JZVOVQVKGORMDI-SNVBAGLBSA-N 436.327 5.021 30 20 IKED Fc1ccc(-n2nc(CN3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c3c2CCC3)cc1 622818283 FXRGFCTUWXTGGY-CHWSQXEVSA-N 435.387 5.063 30 20 IKED CC(=O)NCc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 642281618 MSEJSTNEXXDBOQ-KRWDZBQOSA-N 444.343 5.243 30 20 IKED O=C(Nc1cccc(Cl)c1OCC(F)F)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 672877813 GVYSUJUSNKSGMZ-HTQZYQBOSA-N 440.718 5.188 30 20 IKED Cn1c(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)nc2cc(C(F)(F)F)ccc21 678208641 UPHKGOBVHOITBG-QWRGUYRKSA-N 433.318 5.155 30 20 IKED CCn1c(NN=C(C)c2ccc3c(c2)Nc2ccccc2S3)nc2ccccc2c1=O 725842905 OSHIJFDWUQDMJN-UHFFFAOYSA-N 427.533 5.461 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 726317545 APKYAPYCSQLHAI-QETWGEEDSA-N 447.579 5.013 30 20 IKED C=CCn1c(SCC2CCN(C(=O)OC(C)(C)C)CC2)nnc1-c1ccc(F)cc1 726430606 WQPHTUZFSLRAMN-UHFFFAOYSA-N 432.565 5.009 30 20 IKED C#Cc1cccc(N2C(=O)/C(=C\c3ccccc3OCc3ccncc3)SC2=S)c1 726626268 CJMHUUPLYLOYDR-PXLXIMEGSA-N 428.538 5.048 30 20 IKED N#Cc1cccc(COc2ccc(NC(=S)Nc3ccc(Cl)cc3Cl)cc2)c1 727980996 YNZDCXFVGDFFHZ-UHFFFAOYSA-N 428.344 6.253 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cnc(Cl)c(Cl)c3)cc2Cl)c1 727998711 FQOUXOSDDBYNDL-UHFFFAOYSA-N 432.694 5.745 30 20 IKED C#Cc1cccc(N(C)C(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)c1 728481445 GKQBDBVNIFMMPK-UHFFFAOYSA-N 442.316 5.317 30 20 IKED CCN(C)c1ccccc1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 730383997 VHLJWHUYBXVUKD-UHFFFAOYSA-N 428.536 5.224 30 20 IKED N#C[C@H](C(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1nc2cc(F)ccc2s1 730420832 HHGIAAYJELXIBT-OWCLPIDISA-N 433.533 5.971 30 20 IKED CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 730994237 HGWBKFBZAPJRCY-KRWDZBQOSA-N 438.553 5.335 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc2)cc1 732494765 LQZHGPDZQDRJHJ-JOCHJYFZSA-N 429.863 5.160 30 20 IKED Cc1cc2c(cc1C)C(=NNc1cc(C(F)(F)F)nc(-c3ccccn3)n1)CCCO2 733747803 SZVMAIOKKPLXMX-UHFFFAOYSA-N 427.430 5.163 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1 735398714 KGUPMFJFSPHZQU-FQEVSTJZSA-N 434.442 5.300 30 20 IKED N#CC(CCOC(=O)Cc1csc(-c2ccoc2)n1)(c1ccccc1)c1ccccc1 738852005 WYAKALFGMISDSA-UHFFFAOYSA-N 428.513 5.389 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)cc1 740939823 CEAZDAXUKWPREA-LJQANCHMSA-N 445.277 5.260 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](O)c2c(F)cccc2F)cc1Cl 741060891 MMYYZANHWPHUQH-DYESRHJHSA-N 441.865 5.129 30 20 IKED Cc1ccc(-c2nc(/C=C\C(=O)c3ccc(S(=O)(=O)CC(F)F)cc3)cs2)cc1 741853270 ZJTWEEZNJMPHGI-FLIBITNWSA-N 433.501 5.053 30 20 IKED O=C(c1ccc(-n2ccc(C(F)(F)F)n2)cc1)N(Cc1ccc(F)cc1)CC(F)(F)F 741994709 SRDQXJLJYGVLAX-UHFFFAOYSA-N 445.338 5.235 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3c(O)ccc4c3CCCC4)c2)cc1 743104607 KPLMOVIZYJZIPD-UHFFFAOYSA-N 441.531 5.238 30 20 IKED C=CCOc1ccc(/C=C2\SC(=S)N(c3cccc(OCC)c3)C2=O)cc1OC 743284095 JHTLQIKUTNQANO-MOSHPQCFSA-N 427.547 5.065 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Nc2cccc(NC(=O)c3cccs3)c2)cc1 743466846 URUONFLXISYBMZ-SFHVURJKSA-N 432.549 5.056 30 20 IKED N#C[C@@H](C(=O)C1CC(OCc2ccccc2)C1)c1nc2cc(C(F)(F)F)ccc2s1 747106401 RMORSBCLRWHQTB-PREGVCBESA-N 430.451 5.487 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)CCCc2ccc3c(c2)-c2ccccc2C3)n1 747558494 CHBBOMDPVPMBCM-OAQYLSRUSA-N 430.529 5.090 30 20 IKED CN(C)C(=O)Sc1cccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1 748314135 JDIUWTKCCYOFDS-UHFFFAOYSA-N 433.558 5.735 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(C2CC2)[C@H](C)c2ccc(Cl)cc2)cc1C#N 752298113 QZHUAWFBQCRYCH-CQSZACIVSA-N 426.904 5.538 30 20 IKED C=CCn1c(SCc2ccc(SC(=O)N(C)C)cc2)nnc1-c1ccc(F)cc1 753060148 DNNKYCPZQORVEQ-UHFFFAOYSA-N 428.558 5.336 30 20 IKED Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3occc3COc3cccc(C#N)c3)o2)c1 753398528 QUSRTMNILVNQAF-MRXNPFEDSA-N 429.432 5.007 30 20 IKED N#CCOc1cccc(CC(=O)N(Cc2ccsc2)c2ccc(Br)cc2)c1 760396641 NPBMOTFRMUHSIJ-UHFFFAOYSA-N 441.350 5.189 30 20 IKED C[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nc(-c2ccccc2)no1 760738727 ZQUZAKCEZOEJRO-JPYJTQIMSA-N 437.503 5.317 30 20 IKED CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 761620145 UFVVZOHJMPOGGX-AUSIDOKSSA-N 433.552 5.318 30 20 IKED CCOC(=O)Nc1ccc(Br)cc1NCc1ccc(C#N)cc1OC(F)F 763370060 LDQWMDBACUFZJK-UHFFFAOYSA-N 440.244 5.103 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1csc(-c2ccc(F)cc2)n1 767109219 XVAZSCYVOKFVBX-UHFFFAOYSA-N 446.532 5.578 30 20 IKED CCc1nn(C)c(Cl)c1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 767433571 UEVJQWMYZORVKD-NSHDSACASA-N 439.755 5.556 30 20 IKED N#C[C@@H](NC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1cccc(C(F)(F)F)c1 768180609 MDZRMLHUQMIKGP-QYTCJTFISA-N 441.291 5.120 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(F)cc2OC2CCCC2)ccc1OC 770287730 VTVIUHUMEOHXIQ-GOSISDBHSA-N 441.503 5.158 30 20 IKED Cn1c(CSc2nc3ccccc3s2)nnc1SCc1ccc(Cl)cc1C#N 775091834 BVOCFMJRVOFLJH-UHFFFAOYSA-N 444.010 5.534 30 20 IKED N#CCc1ccc(COC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 776111650 KMANAAJPEBFYCJ-HSZRJFAPSA-N 432.907 5.011 30 20 IKED N#C[C@H](C(=O)NCc1cccc(Cl)c1)C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 786531917 WDZGDUCSVASKFA-SFHVURJKSA-N 442.824 5.063 30 20 IKED C=CCC1(C(=O)OCc2csc(N(C(C)=O)c3cccc(C(F)(F)F)c3)n2)CCC1 791562096 IEIKAGYYZNCGMX-UHFFFAOYSA-N 438.471 5.636 30 20 IKED CN(C)C(=O)c1ccc(C(=O)/C=C\c2csc(-c3cccc(Br)c3)n2)cc1 792923165 GGXRJUGYRCRGQA-KHPPLWFESA-N 441.350 5.171 30 20 IKED C=C(C)CN(Cc1ccccc1)Cn1nc(-c2ccncc2)n(Cc2ccco2)c1=S 794651003 PZVVXDFQZZSFQH-UHFFFAOYSA-N 431.565 5.153 30 20 IKED CC(C)[C@@H](OC(=O)C[C@@H](CC#N)c1ccccc1)C(=O)Nc1ccccc1C(F)(F)F 795981803 FHPYTHSKBDGDNO-DYESRHJHSA-N 432.442 5.299 30 20 IKED COc1cc2c(cc1NC(=O)COC(=O)C[C@H](CC#N)c1ccccc1)oc1ccccc12 795986711 ASKCTDIVKBDLME-SFHVURJKSA-N 442.471 5.164 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)s1 797217414 CBQBIIGXVYMJKS-LBPRGKRZSA-N 445.560 5.996 30 20 IKED N#C[C@@H](COC(=O)c1ncccc1Oc1ccccc1)Cc1cccc(Br)c1 799628976 NRFHEYLUDVJOQQ-KRWDZBQOSA-N 437.293 5.176 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(CC(C)C)[C@@H](C)c2ccccc2C)ccc1OC 806807187 VTAOLAQWAJLAIU-UNMCSNQZSA-N 437.584 5.613 30 20 IKED C[C@H](c1nc2ccccc2n1C(F)F)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 857196164 NIQIWEPEDGDCCL-SNVBAGLBSA-N 446.370 5.010 30 20 IKED N#CC1(c2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)CC2(CC2)C1 904670522 OLWFSSNUGRXKRR-UHFFFAOYSA-N 446.816 5.931 30 20 IKED CC(=NNc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)c1[nH]c(-c2ccccc2)nc1C 915111362 HMFXVQCZKWGNAE-UHFFFAOYSA-N 444.560 5.362 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(Br)s2)cc(Br)c1O 916134197 FMYGMEKJOPZAID-ARJAWSKDSA-N 432.133 5.274 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)COC(c3ccccc3)c3ccccc3)n2)cc1 916974183 FWNPOHBYUCJEEA-QHCPKHFHSA-N 438.552 6.101 30 20 IKED Cc1cccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 916996688 OAMYMDBEHBLBFH-CXAGYDPISA-N 431.344 6.069 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)c1nc2cc(Cl)ccc2s1 917044397 RQGNOFIFLFZXGX-AWEZNQCLSA-N 444.368 6.146 30 20 IKED N#C[C@@H](C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1)c1nc2ccccc2o1 917509863 FGTNHVRPLJRAHT-WMZHIEFXSA-N 432.932 6.180 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)cc2)CCC1 1790647504 CBNBRILFURKWCT-UHFFFAOYSA-N 432.417 5.006 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)s2)[nH]n1 1819302489 GLBKGDACZXRFMI-WMZOPIPTSA-N 447.004 5.128 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2oc3ccccc3c2C)[nH]n1 1819305259 FWBGVQGRMNXFPB-RXVVDRJESA-N 446.551 5.539 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ccoc23)n[nH]1 1821537208 LYQNXFUYBTUHCN-HXUWFJFHSA-N 434.540 5.454 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C(C)=C/c2cccs2)CC1 1823718209 WOFZHRVHPHNFQI-UUDWBSDGSA-N 440.653 5.540 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)CCC2)=C(/S)Nc1ccc(Cl)cc1 10832828 LSTQLPOPLUJBTG-UHFFFAOYSA-O 436.000 5.730 30 20 IKED C=CCn1c(SCc2noc(-c3ccc(Cl)cc3)n2)nnc1-c1ccccc1OC 28188442 YWDYLTLDLZSCHQ-UHFFFAOYSA-N 439.928 5.135 30 20 IKED C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 31776758 SPEAYVUULCNPOZ-MRXNPFEDSA-N 433.489 5.165 30 20 IKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1c(C)cccc1C(C)C 33148017 LLULQAQGDAZFRK-UHFFFAOYSA-N 431.330 5.169 30 20 IKED N#Cc1ccccc1OCCSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 60424011 QZOWYHAUNDDBQT-UHFFFAOYSA-N 436.924 5.283 30 20 IKED COC(=O)c1sc2ncc(C(=O)/C=C\c3ccc(OC)c(Br)c3)cc2c1C 206605587 OVIMVJVCSUVASH-XQRVVYSFSA-N 446.322 5.059 30 20 IKED Cc1[nH]c2ccccc2c1C1CCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 303351065 FCTMODKJWITAMS-GOSISDBHSA-N 446.620 5.546 30 20 IKED C=CCOc1ccccc1CNC(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 303452928 JBIPQZKVHGWVJG-IBGZPJMESA-N 429.520 5.064 30 20 IKED CC(C)[C@@H](c1ccccc1)N(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 303456658 DYKSRVXXACOSDN-IBGZPJMESA-N 437.594 5.563 30 20 IKED C[C@@H]1CN(C(=O)c2cccc(SCC#N)c2)c2ccccc2N(Cc2ccccc2)C1=O 430826613 IFRQYRZRTROTKN-LJQANCHMSA-N 441.556 5.132 30 20 IKED C=C(C)COc1cccc(NC(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)c1 432067542 QYMODXGTHXUNCG-FQRUVTKNSA-N 444.535 5.277 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@H]3CC(=O)c3cccs3)c2)c1 432288749 HPBCALSPONQRID-NRFANRHFSA-N 430.529 5.076 30 20 IKED Cc1nc(Cc2nnc(SCCC(C#N)(c3ccccc3)c3ccccc3)o2)cs1 434642471 IFBWSIRBQAYGRA-UHFFFAOYSA-N 432.574 5.417 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNc1ccccc1S[C@H](C)CC#N 435654849 MLKJFNPQSCQBJX-MRXNPFEDSA-N 425.001 6.208 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)c1ccccc1 435745022 ISIYVEUSUFUTQG-QFIPXVFZSA-N 449.938 5.076 30 20 IKED C=CC[C@H]1N(C(=O)Nc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)CCCC1(C)C 436101050 PBENYDVUQGXMRV-LJQANCHMSA-N 449.473 6.149 30 20 IKED N#CCCn1ncc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)c1-c1ccccc1 437319562 AUICKMCXZHHZHK-FXAWDEMLSA-N 425.319 5.056 30 20 IKED CC(C)c1cnc(-c2ccc(NC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cc2)o1 438500761 ITEPWAVICPQHNJ-UHFFFAOYSA-N 443.551 5.076 30 20 IKED N#Cc1ccc(NC(=O)NCc2ccc(Oc3cccc(F)c3)nc2)cc1C(F)(F)F 438644979 CJKBSINLJOMKIG-UHFFFAOYSA-N 430.361 5.225 30 20 IKED COc1ccccc1Oc1ccc(N[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)cc1 439546003 FUKFEEKKRKAJQZ-IBGZPJMESA-N 445.519 5.243 30 20 IKED CN(C(=O)C(=O)Nc1cccc(C#N)c1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 441871518 RRYDLUPIPSXRNB-UHFFFAOYSA-N 438.314 5.052 30 20 IKED Cc1cccc(-c2nnc(Sc3ccc(C(F)(F)F)c(C#N)n3)n2Cc2ccco2)c1 443430854 NQOCPIMTCPANOJ-UHFFFAOYSA-N 441.438 5.332 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H](Oc2ccccc2Cl)C1 443637797 CAOPANQBJNLKIS-ZWKOTPCHSA-N 444.000 5.074 30 20 IKED CN(C(=O)c1ccc(C#N)[nH]1)[C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 443804674 SJLKMSVSMMMZED-LJQANCHMSA-N 428.717 5.164 30 20 IKED O=C(Nc1cnn(CC(F)(F)F)c1)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444860288 NETNIMFFYZTIOO-LBPRGKRZSA-N 448.289 5.279 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)c1nc(CC(=O)Nc2ccccc2Oc2ccccc2)no1 445333711 LQOCNLMXFYDBQN-QGZVFWFLSA-N 440.459 5.055 30 20 IKED COc1cc(C(=O)Nc2c(C#N)c(SC)nn2-c2ccccc2)ccc1OC1CCCC1 445565871 NBIMLGDFYDFNCO-UHFFFAOYSA-N 448.548 5.048 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(c2cccc3cnccc23)C[C@H]1C 446265678 GOEOOSIJURLWGW-HXUWFJFHSA-N 428.580 5.829 30 20 IKED CN(Cc1nc(C(F)(F)F)cs1)C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F 446368697 ISBCVVVHVUPZHJ-LBPRGKRZSA-N 449.779 5.399 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)cc2F)c1 447484934 WUJQOSNSYXTHBD-UHFFFAOYSA-N 438.418 5.055 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(Br)c(Cl)c3)CC2)c1 448333931 FKGAYHPNXUXCSW-UHFFFAOYSA-N 434.721 5.049 30 20 IKED C=C(C)Cn1c(SCc2nc(C3(c4ccccc4)CCC3)no2)nnc1-c1ccco1 460148426 ZHIJHOLWDPANQT-UHFFFAOYSA-N 433.537 5.260 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@](CO)(Cc4ccccc4)C3)cc2)cc1 462889323 RORYLSFFPSINDU-NDEPHWFRSA-N 440.543 5.002 30 20 IKED N#Cc1cccc(COc2ccc(Cl)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 463204903 TWGKCBLDHBWXIJ-UHFFFAOYSA-N 442.258 5.605 30 20 IKED C=C(C)C[C@@H](C)C(=O)Nc1ccc(NC(=O)c2ccccc2I)cc1 464440921 YBPLFHDKQWFMCG-CQSZACIVSA-N 448.304 5.084 30 20 IKED CC[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nc(C(F)(F)F)cs1 466685360 GGJPKLICHVMFLT-MRXNPFEDSA-N 446.454 6.099 30 20 IKED Cc1ccc(-c2cccc(CNC(=O)C(=O)Nc3ccccc3S[C@H](C)CC#N)c2)cc1 468601649 NAYKDBXWIHHEMI-LJQANCHMSA-N 443.572 5.311 30 20 IKED N#CCCn1ccc(NC(=O)Nc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)n1 470345599 IJCURMYCFHIGQJ-UHFFFAOYSA-N 429.402 5.039 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N(Cc3ccccc3)CC3CCC3)ccc21 470546236 JUMOMJRXWXTCHQ-UHFFFAOYSA-N 430.552 5.104 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)CSCC(=O)c1ccc(Cl)cc1 470910030 WIKUIVKDMVMEIO-UHFFFAOYSA-N 426.950 5.495 30 20 IKED C[C@@H]1C(=O)CC[C@H]1CC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 476613672 TYECGCRZKLEBKY-KOSWAMCASA-N 449.313 5.449 30 20 IKED CC(C)c1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)CCC2 476613829 TYYNILMLEBGRHS-UTKZUKDTSA-N 435.593 5.337 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 480576852 HXVSRYLJROLWJF-MHZLTWQESA-N 425.019 5.669 30 20 IKED C=C[C@@](C)(CC)C(=O)Nc1cc2c(cc1Br)CN(C(=O)[C@@](C)(C=C)CC)C2 480821112 VSSRQLYYCPJTGJ-VXKWHMMOSA-N 433.390 5.434 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 481106897 MAIYLTCBCJTHBY-JWQCQUIFSA-N 441.531 5.315 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCCc3c[nH]c4ccccc34)cc2F)c1 481574673 XHVGESNPQHDVEW-UHFFFAOYSA-N 428.467 5.122 30 20 IKED CCc1c(NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cnn1C(CC)CC 485093758 QVLFBQGDSDEXDZ-UHFFFAOYSA-N 445.523 5.048 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3C[C@H]3c3ccc(C(F)(F)F)cc3)s2)cc1 487389884 UQRMHYOTWXJAQT-OALUTQOASA-N 427.451 5.367 30 20 IKED Cc1cc(C(=O)N[C@@H](CCCC#N)c2ccccc2)c2cnn(Cc3cccs3)c2n1 487617759 NVMSWIYZDIVEJL-QFIPXVFZSA-N 429.549 5.015 30 20 IKED Cc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)C2)cc1 488383568 FTEMBVPGICDYFN-UZLBHIALSA-N 449.605 5.420 30 20 IKED C=CCN(CCc1ccco1)C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 490544516 KYWAUUGHAWUERT-UHFFFAOYSA-N 446.334 5.059 30 20 IKED C=CCN(C)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 491087522 WCOPZWXXHGRPOM-UHFFFAOYSA-N 447.391 5.037 30 20 IKED N#Cc1ccc(S(=O)(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1C(F)(F)F 492448183 ZRZJLZFNIAOQEY-UHFFFAOYSA-N 442.871 5.328 30 20 IKED CCCc1c(NC(=O)Nc2cc(C(F)F)ccc2Cl)cnn1-c1cccc(C#N)c1 497392560 SKUPGYPDDHNBTD-UHFFFAOYSA-N 429.858 5.931 30 20 IKED C/C(=C/c1ccccc1C(F)(F)F)CNc1ccc2c(c1)CCC(=O)N2CCCC#N 500449432 BCIRVCPVZFPYAR-VKAVYKQESA-N 427.470 5.804 30 20 IKED Cc1ccccc1[C@]1(F)CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 502161708 ILZRJANJNRATRA-MHZLTWQESA-N 443.522 5.743 30 20 IKED CN(C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C1CCN(Cc2ccccc2)CC1 502652897 QOFBTNSWJSWNGN-UHFFFAOYSA-N 440.547 5.479 30 20 IKED COc1cccc([C@H](CNC(=O)Nc2ccc(C#N)cc2)c2c[nH]c3ccccc23)c1OC 503671563 QFNNQBCNWVUOSQ-QFIPXVFZSA-N 440.503 5.010 30 20 IKED N#Cc1ccc(CN(C(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)C2CC2)cc1 504455083 BBSDKHFKZKFWAD-MHZLTWQESA-N 437.543 5.347 30 20 IKED N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)F)c1ccc(OCc2ccccc2)cc1 505361039 CMWDKPHXMRSJNR-ZLNRFVROSA-N 448.469 5.352 30 20 IKED CC(=O)c1cccc(NC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 505448762 FJIIFAXAERAPAX-INIZCTEOSA-N 430.316 5.565 30 20 IKED C[C@H](Nc1ccc(Oc2ccccn2)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 506252941 GEWJDDCUKRXKNP-INIZCTEOSA-N 432.549 5.515 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2Cc2ccccc2)cc1 508271120 ZBAWIXIJXKSULS-JOCHJYFZSA-N 427.504 5.598 30 20 IKED C[C@@H](NC(=O)CC1CCCCC1)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 509480065 PHBPXCAXOBKSGX-CQSZACIVSA-N 441.519 5.125 30 20 IKED CCN(C(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1)[C@@H](C)c1ccc(C#N)cc1 509570717 JEWRCZCGLIJHDT-FQEVSTJZSA-N 446.572 5.064 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 511087016 WVJJBLRUULJCMC-UHFFFAOYSA-N 438.959 5.280 30 20 IKED COCCOc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(C)c1 513875800 FRCKANMRGMPBBN-UHFFFAOYSA-N 447.510 5.265 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 517534954 MYZJJKBOTYUSEP-LBPRGKRZSA-N 425.888 5.386 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(CC2CCCCC2)C2CC2)cc1Cl 518154078 DIONMTKCQSAFBV-HSZRJFAPSA-N 449.982 5.505 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2cc(Br)cs2)n1)c1nc2ccccc2o1 518502275 GURMFBDDHCPOTM-JTQLQIEISA-N 430.308 5.265 30 20 IKED COc1ccc(CC[C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 520066635 YKPXJEBWDIOFED-IBGZPJMESA-N 430.573 5.610 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1C 520471096 DPSWWDILRIYWSL-UHFFFAOYSA-N 449.558 5.491 30 20 IKED CC[C@@H](c1ccccc1)N(CC)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 521841273 ZLEXAVZFJUJDKA-SANMLTNESA-N 427.548 6.337 30 20 IKED COc1ccccc1-c1cccc(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 522071802 GWMWELZXPUXEDE-NRFANRHFSA-N 444.510 5.163 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(CCN4CCCC4)cc3)c2)cc1 522312363 XJCRUWQPWLMFRX-UHFFFAOYSA-N 425.532 5.028 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1 523905233 LRZXXISCSIBIHE-UHFFFAOYSA-N 446.551 5.306 30 20 IKED CSCc1cccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 526311287 LRJPCYJDSWIBOF-OAQYLSRUSA-N 449.963 5.436 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N[C@H](c2cccc(F)c2)c2ccccn2)cc1 540277937 UNWMTKHUSORJJW-AREMUKBSSA-N 436.490 5.348 30 20 IKED COC(=O)c1ccc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1 543053140 XVGHSUHHRDMCRL-ZDUSSCGKSA-N 449.269 5.497 30 20 IKED N#Cc1ccc(-c2nnc(N3CC[C@H](c4ccc(Cl)cc4)C3)n2C[C@@H]2CCCCO2)cc1 549998867 XOUUVWQOBWXDST-GMAHTHKFSA-N 447.970 5.033 30 20 IKED Cc1cc(-c2nnc(N3CCC(C)(C#N)CC3)n2Cc2cccs2)c2ccccc2n1 555432075 LDGJPOZPLKMTMP-UHFFFAOYSA-N 428.565 5.042 30 20 IKED N#CCCC[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1OCC1CCC1)c1ccccc1 560282535 GAYCQYDDLWROFA-FQEVSTJZSA-N 439.943 5.009 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 561228179 NIUDUDGOQCALQD-UHFFFAOYSA-N 438.505 5.050 30 20 IKED CCc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 562318732 KMNUFNWFNWFXCN-MRXNPFEDSA-N 449.816 5.451 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 563854820 IBYZWALSTLHNFG-QANKJYHBSA-N 430.371 5.521 30 20 IKED CC[C@H](C)N[C@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccco1 564337109 GKPMKCJALRLZHV-YADARESESA-N 446.551 5.290 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CC[C@@H](C(F)(F)F)C4(CCC4)C3)c2)cc1 567293558 DBVXYVOLQQLMCM-HXUWFJFHSA-N 429.442 5.937 30 20 IKED C=CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H]1c1ccc(COC)o1 567796054 XONCFJPAFSEXML-AWEZNQCLSA-N 449.374 5.036 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc4nc(C(F)F)sc4c3)o2)cc1 569348206 LCXMKNZZEFNTMK-UHFFFAOYSA-N 425.416 5.530 30 20 IKED CCO[C@@H](c1noc([C@H](C)Oc2ccccc2C#N)n1)c1ccc(F)cc1C(F)(F)F 570200498 HFCPKMCRIVBCTH-KPZWWZAWSA-N 435.377 5.365 30 20 IKED CCOc1ccc(CN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C(C)C)cc1 577803343 MOMVXSAGEYZCBZ-UHFFFAOYSA-N 430.508 5.587 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1 594407052 UCFUDJDCVASXBU-KRWDZBQOSA-N 448.519 5.468 30 20 IKED CSc1nc(C)c(CCC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c(C)n1 603532995 KOWXBDBBYWNODC-UHFFFAOYSA-N 448.567 5.301 30 20 IKED CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)c12 603898108 XUMBPHPVCHMGLY-UHFFFAOYSA-N 444.413 5.118 30 20 IKED CC(=O)N[C@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1 604026990 RKOJPIHEZPFOBT-JOCHJYFZSA-N 433.895 5.210 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 604461247 DTICUTGRZFQZJS-QGZVFWFLSA-N 448.473 5.277 30 20 IKED CCCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 604502438 INYWTDFPCRYIEQ-UHFFFAOYSA-N 429.520 6.112 30 20 IKED COCCN(Cc1cccnc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 609046684 JFYFOTJMJHHLJA-UHFFFAOYSA-N 436.899 5.079 30 20 IKED COc1ccc(S[C@@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 609105434 YQGZIGBVEVBUTC-INIZCTEOSA-N 436.508 5.404 30 20 IKED CCN(CC)C(=O)[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccccc1 609387002 FHCLMPLDYJTUBE-FQEVSTJZSA-N 435.515 5.733 30 20 IKED COc1ccc(Br)c(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 609439007 RQTLDAURYKMRII-ZDUSSCGKSA-N 434.359 5.174 30 20 IKED N#C[C@@H](NC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccccc1Br 609593642 CXNAMWPJZVBMRB-OAHLLOKOSA-N 438.306 5.313 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)N1CCC[C@@](C)(C#N)C1 612130267 ZANYVUKZFIVILF-XOBRGWDASA-N 447.402 5.277 30 20 IKED C=CCc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc(OC)c1OC 613404956 RFQLXFJDJDRDLI-HNNXBMFYSA-N 446.450 5.551 30 20 IKED O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1cc(F)c(C(F)(F)F)c(F)c1 683193174 QXECMANJORIKLF-UHFFFAOYSA-N 435.274 5.440 30 20 IKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\[C@@H](C)c1cccs1 726421262 OZJNYZSNWMBBAC-LDVUSWCWSA-N 433.574 5.077 30 20 IKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(C2CC2)C1=O 726421377 QEOHOSBYKVOSCG-IQDGPNEGSA-N 448.013 5.262 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(Cl)c2)[n+]2ccc(CCC)cc2)c1 726573573 KLAXIQMOIMSVLM-UHFFFAOYSA-O 433.984 5.885 30 20 IKED Cc1cc(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)c(C)n1-c1ccc(C#N)cc1 728269663 UEPQGJFAEOQLBG-QFIPXVFZSA-N 429.520 5.166 30 20 IKED CCOc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1OCC 730418525 WQRVTHNQRSSXMW-INIZCTEOSA-N 440.496 5.072 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC([C@@H](O)c4ccc(F)cc4)CC3)cc2)cc1 731108571 VUMBRPUKNBWTOF-VWLOTQADSA-N 445.494 5.467 30 20 IKED C=CC[C@H](NC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C)c1ccncc1 734235153 XRSNKNHTWVEBGF-QHCPKHFHSA-N 425.536 5.430 30 20 IKED Cc1ccc(C[C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2ccccn2)cc1 734683928 KINNCKZADGZARD-XCZPVHLTSA-N 446.554 6.151 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1sc2ccccc2c1C)[n+]1cccc(O)c1Cl 735666374 IZIKBLWXIGXDQM-UHFFFAOYSA-O 431.990 5.233 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)CC[C@H](NC(=O)OC(C)(C)C)c3ccccc3)[nH]c12 735793534 VDVMDRATUBNQHP-OALUTQOASA-N 432.524 5.094 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 736990624 HVKIZJIHAXRRCO-UHFFFAOYSA-N 436.556 5.273 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(Cl)c(Cl)c1)[n+]1cc(O)cc(Cl)c1 738013214 OADBFKZQPFITQO-UHFFFAOYSA-O 430.764 5.017 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(CC2CCC2)[C@H](C)c2ccccc2)ccc1OC 741088041 KGEGVAJJSLJGAW-XXBNENTESA-N 435.568 5.449 30 20 IKED CCN(CC)C(=O)c1cccc(OC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 741600034 QLPDYSGHRVQCGG-UHFFFAOYSA-N 428.488 5.246 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3ccc(Oc4ccc(F)c(F)c4)cc3)o2)c1 745008619 JSJRQBUHUNHZFH-UHFFFAOYSA-N 433.370 5.036 30 20 IKED COc1ccc2cc(-c3nn(-c4ccccc4)cc3C=NN=C(C)c3cnccn3)ccc2c1 745204098 SAIRAYPUMMUPHD-UHFFFAOYSA-N 446.514 5.334 30 20 IKED Cc1ccc(Sc2ncccc2C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)c(C)c1 746483088 XFOZJVNUERZSRT-UHFFFAOYSA-N 438.896 5.535 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Oc4ccccc4)c3)NC2=O)c1 746814833 VTQJZTWMZMHWEH-QFIPXVFZSA-N 445.544 5.344 30 20 IKED CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)N[C@H](CCC#N)c2ccccc2)C1 748610897 UPYJPDYTTXQOJC-OAQYLSRUSA-N 434.540 5.146 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2nccn2CCCc2ccccc2)cc1 751544152 TYSNXFFYYVUGIZ-SANMLTNESA-N 449.558 5.493 30 20 IKED Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)[C@H](C#N)c2cc(C)nc(C)n2)cc1 757874155 FZMAXFDERMKLTE-OAQYLSRUSA-N 438.556 5.611 30 20 IKED C[C@H](OC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1nc(-c2cccnc2)no1 761489492 YOGRKVMBWRNIGB-AWEZNQCLSA-N 446.850 5.367 30 20 IKED COc1ccccc1[C@H](NC(=O)Nc1ccc(F)cc1OCC#N)c1ccccc1Cl 761665305 OTIFSNIHDBZQPS-JOCHJYFZSA-N 439.874 5.301 30 20 IKED Fc1ccc(Oc2ccccc2C=Nn2c(S)nnc2[C@@H]2CCCCO2)c(Cl)c1 763407015 UTQNCVNLQQXYNB-SFHVURJKSA-N 432.908 5.275 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(C#N)c(F)c2)ccc1OCC(=O)Nc1ccccc1 776728163 FDMHRFCVMOUEBS-WQLSENKSSA-N 444.462 5.010 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)OCc3ccc(C4(C#N)CC4)cc3)s2)cc1OC 777145351 YBTSLSUQICBTAE-UHFFFAOYSA-N 434.517 5.048 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4ccc(F)cc4F)CCOCC3)n2)cc1 779195380 WXDMWHWWVSHXHL-SFHVURJKSA-N 438.499 5.321 30 20 IKED Cc1csc(SCc2ccccc2C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)n1 781214322 MBQGEMZHZUWWPP-UHFFFAOYSA-N 449.536 5.193 30 20 IKED C[C@@H](NC(=O)[C@H](C#N)C(=O)c1cc(Br)cs1)c1ccc(Cl)cc1Cl 787048325 AXZCLGIDKFMLSS-PRHODGIISA-N 446.153 5.017 30 20 IKED Cc1cc([C@@H](CC(=O)Nc2ccc(C#N)cc2Cl)NC(=O)OC(C)(C)C)cc(Cl)n1 788453163 LKELOCSYTWLQGJ-QGZVFWFLSA-N 449.338 5.163 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)COc1ccc(C2SCCCS2)cc1 804559727 FSGQGMDGUHRTAS-UHFFFAOYSA-N 445.654 5.316 30 20 IKED CC(=O)N(c1nc(COC(=O)CCCCCC#N)cs1)c1c(C)cc(C)cc1Cl 805697896 KBLAIRYFXFVFGR-UHFFFAOYSA-N 433.961 5.615 30 20 IKED C=CC[C@@H](NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccncc1 806818743 FYKPPYBRZAZTNM-NHCUHLMSSA-N 433.474 5.185 30 20 IKED Fc1ccc(C2OCCO2)c(Cl)c1CNC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 812824237 WHWGPVWJKYGADD-UWVGGRQHSA-N 449.794 5.524 30 20 IKED N#C[C@@H](C(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1cc(C(F)(F)F)ccn1 813212145 YDUNHMRUIOFWOL-IERDGZPVSA-N 448.416 6.088 30 20 IKED COc1cc(/C=C/c2nc3cc([N+](=O)[O-])ccc3n2-c2ccccc2)ccc1OCC#N 916129083 SXTHCXXLGCBBEZ-XYOKQWHBSA-N 426.432 5.015 30 20 IKED CCCOc1c(C=Nn2c(C)nc3sc4c(c3c2=O)CCCCC4)cccc1OCC 916272532 AGMWOSPWONGCHG-UHFFFAOYSA-N 439.581 5.105 30 20 IKED CC[C@H](C)NC(=O)c1cccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 916477223 TYWCAAOCBBOTFP-DFBJGRDBSA-N 440.547 5.192 30 20 IKED CC(C)(C)c1ccc(CCC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 916846662 BIWSRPJPXKHGFC-SFHVURJKSA-N 433.577 5.382 30 20 IKED Cc1cc(OCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1Cl 916908420 MLFSOPJKGSRSEY-IBGZPJMESA-N 434.879 5.167 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(OCc3csc(C)n3)c2)cc1 916914878 XHQNEVFZTQUWSK-HSZRJFAPSA-N 447.560 5.334 30 20 IKED CCN(CC)c1ccc2cc(C(=O)/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)c(=O)oc2c1 917615076 HJSTYPDNWVKRKS-POHAHGRESA-N 426.856 5.097 30 20 IKED C=CCOc1ccc(/C=C/C(=O)N(C)Cc2c(C)nn(-c3ccccc3C)c2C)cc1OC 919866052 NASLLUUMNYFPJJ-FYWRMAATSA-N 445.563 5.043 30 20 IKED CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1N=Cc1cc(Cl)ccc1O 920943309 VVOYVXJBHOCKSW-UHFFFAOYSA-N 438.911 5.846 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)CC[C@@H]4CNc5ccccc5C4)cc3)CCC2)C1 1788066695 TZBLFTZSBZFTHP-FQEVSTJZSA-N 443.591 5.151 30 20 IKED C#CC(=O)NC1(c2ccc(NC(=O)c3cc4scc(-c5ccccc5)c4[nH]3)cc2)CCC1 1790011562 HYCNLYSBLWIDDA-UHFFFAOYSA-N 439.540 5.277 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4cc(C)[nH]c34)CCC2)cc1 1790568603 WEERDQUBNHJROZ-GOSISDBHSA-N 446.551 5.025 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3occc3c2)[C@@H]1c1cccnc1 1809341702 NNZNMVAFUJUIEP-UPVQGACJSA-N 445.563 5.140 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cccs2)[nH]n1 1814440630 WSQLKNMWAQJPPQ-IBGZPJMESA-N 428.602 5.089 30 20 IKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@H](CCC)CC2)CC1 1824960786 VUQLACOLOCTWFE-YMPZKCBVSA-N 434.690 5.132 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CNc2ccccc2C)CC1 1827004800 MKALTWJPJKMSEB-XMMPIXPASA-N 439.644 5.019 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc3ccccc23)CC1 1828828879 UISMDBOHAWYMQH-GJZUVCINSA-N 445.607 5.237 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc3ccccc3o2)CC1 1830850424 IYDDRDFEWIWLJN-NRFANRHFSA-N 437.584 5.054 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1831368033 QCVAQWFJSSEXEN-SBUREZEXSA-N 442.003 5.267 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)c1[nH]c3ccoc3c1-c1ccccc1)C2 1841319524 AAGHUAUSPBWHHH-UHFFFAOYSA-N 443.547 5.013 30 20 IKED CCOc1ccc(NC(=O)COC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 9073547 PSTOVKMELBYQMX-UHFFFAOYSA-N 446.528 5.045 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1CC=C 20067224 TYWRUGUAHLSUSK-UHFFFAOYSA-N 440.569 5.279 30 20 IKED C=CCn1c(SCc2nnsc2Cl)nc2scc(-c3cccs3)c2c1=O 25725434 AANRZMONHFWHFX-UHFFFAOYSA-N 439.012 5.170 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1 26498436 BPWWAOJBBHFWFS-MRXNPFEDSA-N 441.622 5.791 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(NC(=O)C2CCCCC2)CC1 60165400 PXLYTUAZVUBHJN-UHFFFAOYSA-N 447.604 5.011 30 20 IKED C[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)C(c1ccccc1)c1ccccc1 110899150 MCJKKCAIZWMZME-JOCHJYFZSA-N 439.559 5.050 30 20 IKED Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)N=C2SCCCC#N)cc1 206778010 SGEMTQGGFMBPJE-UYRXBGFRSA-N 430.360 6.083 30 20 IKED Cc1ccc([C@@H](NC(=O)CSc2nc3c(cc2C#N)CCCC3)c2cccs2)cc1 303002142 YNNRDXVIUOZWEG-HSZRJFAPSA-N 433.602 5.200 30 20 IKED Cc1ccc(C)c(CN(C)C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 430008093 SUDFRPCCKSBYTL-HSZRJFAPSA-N 445.950 5.209 30 20 IKED N#CCCn1cc(CNCCSCc2cccc3ccccc23)c(-c2ccncc2)n1 433313503 VVKMHFJTFIBEOY-UHFFFAOYSA-N 427.577 5.035 30 20 IKED Cc1nnc(SCc2c(C(=O)N3CCCC(C)(C)[C@H]3C#N)oc3ccccc23)s1 434030172 GLLIPPKMACRCAD-QGZVFWFLSA-N 426.567 5.039 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1nccn1CCCc1ccccc1 435529337 YBWYMMKRRWMFRS-UHFFFAOYSA-N 428.989 5.129 30 20 IKED CCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H](Cc1ccc(F)cc1)C(C)C 438046748 YEJIPGMOBLHPSD-XMSQKQJNSA-N 427.589 6.341 30 20 IKED C=CCC[C@@H](NC(=O)NCCc1nnc(-c2ccccc2)o1)c1ccc(C(F)(F)F)cc1 442238277 QVMABZCFHGCUFU-LJQANCHMSA-N 444.457 5.305 30 20 IKED N#CCCCn1cc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c2ccccc21 444173659 DMEBBFUHQOUMGL-UHFFFAOYSA-N 430.489 5.050 30 20 IKED CC(C)(C)c1ccc(-c2csc(NC(=O)Cc3noc(C4(C#N)CCCC4)n3)n2)cc1 445433322 YLVWDQUKLIYLIQ-UHFFFAOYSA-N 435.553 5.007 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N(CC(F)(F)F)[C@H]2CCCOC2)c1 446199582 FGTZCEZQRNUUHT-HNNXBMFYSA-N 438.833 5.187 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 446912524 ZFPFQOVEGUQORY-UHFFFAOYSA-N 428.448 5.157 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N[C@@H]2c3ccccc3CC23CCOCC3)cc1 460646869 LJXSILGGRIBKOL-AREMUKBSSA-N 437.543 5.119 30 20 IKED N#Cc1ccccc1Oc1ccc(NCC(=O)Nc2ccccc2OC(F)F)cc1F 463228167 UMKNOJGYMOKQNG-UHFFFAOYSA-N 427.382 5.142 30 20 IKED C=C(C)C[C@H](C)C(=O)Nc1ccc(NC(=O)c2ccccc2I)cc1 464440920 YBPLFHDKQWFMCG-AWEZNQCLSA-N 448.304 5.084 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)cc1 464960243 OBXLJIMPPWUCGC-SSEXGKCCSA-N 438.936 5.443 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 465418895 VNCBUQAODSYQME-OPAMFIHVSA-N 439.556 5.206 30 20 IKED C=C(C)CN1CCC(NC(=O)N(Cc2ccccc2OC(F)(F)F)C2CCCC2)CC1 465865578 LZHZSWMZOVFQAS-UHFFFAOYSA-N 439.522 5.080 30 20 IKED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(-c2ccc(F)cc2)s1 469057962 OKFWOWRDCAAIKP-QGZVFWFLSA-N 433.552 6.310 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(Cc2ccc(F)c(F)c2)CC1 469676555 FERBLKDXBHWQDN-INIZCTEOSA-N 429.536 5.846 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2nnc(-c3ccccc3)s2)c1 470150632 IKLQIWFDQMYUHV-UHFFFAOYSA-N 446.919 5.452 30 20 IKED C=CCNC(=O)Nc1ccc(N[C@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)cc1 471632077 AUYHNPUCFPNGAU-GFCCVEGCSA-N 432.311 5.524 30 20 IKED CCc1ccc(-c2noc([C@@H](C)NC(=O)Nc3ccccc3SC[C@H](C)C#N)n2)cc1 473818178 MXARROCMBBLTKF-HZPDHXFCSA-N 435.553 5.433 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@H](c1ccc(Cl)cc1)c1cnccn1 475559480 OXXBODRDKOBOAS-XMMPIXPASA-N 434.971 6.235 30 20 IKED CC(C)c1ccc([C@@H](NS(=O)(=O)Cc2ccc(C#N)cc2F)c2cccs2)cc1 478133043 KHSTVPGWYDMKOF-JOCHJYFZSA-N 428.554 5.091 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-n4cnc5ccccc54)cc3)n2)cc1 480936931 FFXOTWZACKRCMF-OAQYLSRUSA-N 445.507 5.511 30 20 IKED C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)CSc1ccc(C#N)cc1 482819560 SAQDUTKUOCNLHF-IYBDPMFKSA-N 441.984 5.346 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)c1cc2sc(N3CCCC3)nc2s1 483271847 YSJDSBQEEBETST-UHFFFAOYSA-N 434.546 5.270 30 20 IKED CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 483584866 NVOZZMDAFISFBA-UHFFFAOYSA-N 448.544 5.316 30 20 IKED COCCCn1c(SCc2ccccc2C(C)(C)C#N)nnc1-c1ccccc1Cl 486996097 IBXGWYUHNZDPGT-UHFFFAOYSA-N 441.000 5.728 30 20 IKED CC[C@H](C)c1ccc2nc(N(Cc3ccccc3)C(=O)CN3CCC(C#N)CC3)sc2c1 488722413 FWVMVMSOPAAHCG-IBGZPJMESA-N 446.620 5.579 30 20 IKED Cc1ccc(-c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCCC4)o2)c(C)c1 488777685 CMLIIZIKJZYQMV-UHFFFAOYSA-N 438.578 5.286 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(Cl)ccc2Br)o1 494671728 FALYMKZAYUAORX-UHFFFAOYSA-N 431.673 5.398 30 20 IKED CC1(C(=O)N2CC[C@H](c3cccc(Cl)c3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 496672905 VXXKFMXGEUAHBX-SFHVURJKSA-N 442.390 5.488 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(Oc3nncc4ccccc34)cc2)cc(OC)c1OC 498592415 KKFJIOOLKXZFOL-UHFFFAOYSA-N 441.487 5.420 30 20 IKED C=CCCc1ccccc1NCc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1 500408809 ZOIFMEMRDCDDNV-UHFFFAOYSA-N 445.510 6.577 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc([C@@H]3CCCOC3)cc2)cc1 503027933 BQWYCHMLGIVWCA-OAQYLSRUSA-N 428.488 5.505 30 20 IKED N#Cc1cc(NC(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)ccc1Oc1ccccc1 504770673 OKJVXBKNPCCDBI-LJQANCHMSA-N 441.535 5.295 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 505107389 JDXJPQVVPYFZEP-HSZRJFAPSA-N 442.515 5.033 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Nc3ncc(-c4ccccc4)s3)n2)cc1 505449276 MPYASGFFRKDYKL-KRWDZBQOSA-N 432.530 5.188 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)Nc3ccc(C(C)(C)C#N)cc3)s2)cc1 506723331 FOYIHMMEVBPLCO-MRXNPFEDSA-N 434.565 5.811 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H](COc2ccccc2)C1 506955092 SUDBJTJKKGXDRK-NRFANRHFSA-N 427.504 5.592 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cc1 508269648 VFKHRGNUJFINLQ-OAHLLOKOSA-N 437.446 5.862 30 20 IKED Cc1noc(CSc2ccccc2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)n1 509685564 WXCJYIRLNYBSOA-UHFFFAOYSA-N 442.500 5.587 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccccc2OC[C@H]2CCCCO2)cc1 509986160 JYGVEPGFKVQOOH-XMMPIXPASA-N 442.515 5.337 30 20 IKED COCCN(C(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1)c1ccc(C#N)cc1 510236478 MKBFUTVRRUPLPW-UHFFFAOYSA-N 442.302 5.346 30 20 IKED Cc1ccc(SCCNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 511479955 WMPGETJGGNAJMS-UHFFFAOYSA-N 430.533 5.033 30 20 IKED CC(C)(C(=O)Nc1ccn(CCC#N)n1)c1csc(-c2c(Cl)cccc2Cl)n1 512730607 VWOLBTHCNYHIGU-UHFFFAOYSA-N 434.352 5.143 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 513166228 PHMJXJDRMKFYIB-MRXNPFEDSA-N 432.833 5.106 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 513532053 KKGUUNKWZIYGMD-OAQYLSRUSA-N 428.454 5.332 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 514320208 PQTFATKUWWFTBQ-UHFFFAOYSA-N 436.515 5.636 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCc1nc2ccccc2s1 514536307 LMJFBPVAJLJDDP-UHFFFAOYSA-N 429.520 5.782 30 20 IKED Cc1cccc(COc2cccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2)c1 516270432 YUZMQMKOSWXVDG-DEOSSOPVSA-N 449.535 6.059 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccc(OCC(F)(F)F)nc2)cc1 516638048 SGQQQEWSLALSGX-UHFFFAOYSA-N 442.397 5.008 30 20 IKED C[C@H](COc1cccc(F)c1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 517309311 GPVHYCOAKJDZJX-GOSISDBHSA-N 433.483 5.060 30 20 IKED Cc1ccc([C@H](NC(=O)CNc2ccccc2S[C@@H](C)CC#N)c2cccs2)cc1 517534890 JDHNXFRDKALWRY-UUOWRZLLSA-N 435.618 5.769 30 20 IKED CCCN1CCC(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 518169287 QIWZEWGXXQMURV-UHFFFAOYSA-N 440.975 5.034 30 20 IKED C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)c2)C1 518227106 XSNOWPKMSJWBRF-SQJMNOBHSA-N 447.579 5.447 30 20 IKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1 520888764 TWNBJZQRGJETEB-HXUWFJFHSA-N 436.943 5.391 30 20 IKED Cc1nc(C2(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CCCCCC2)no1 521243732 ZFYZGISXLOSWKM-UHFFFAOYSA-N 434.471 5.161 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2coc(-c3cccs3)n2)cc1Cl 521569788 BNJZWLKNCMRFGM-IBGZPJMESA-N 433.920 5.893 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1-c1ccc(Cl)cc1 525326807 PKPUWWLKXPJMRG-CQSZACIVSA-N 438.314 5.348 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[C@@H](C#N)c1nc2c(C)ccnc2[nH]1 542876425 FVPMEOHDDGIPHD-GFCCVEGCSA-N 426.263 5.027 30 20 IKED N#Cc1ccc(-n2ccc(NCc3nc(-c4cccc(C(F)(F)F)c4)no3)n2)c(Cl)c1 542941281 YTQAIRCSHZVVTJ-UHFFFAOYSA-N 444.804 5.078 30 20 IKED Cc1ccc(C(=O)CCCCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 546103903 CPQKORHNGNCRDZ-UHFFFAOYSA-N 427.504 5.744 30 20 IKED N#Cc1cccc(-c2nnc(N3CC[C@H](c4c(F)cccc4F)C3)n2Cc2cccs2)c1 549575675 MLFUWSYAFJCHHA-SFHVURJKSA-N 447.514 5.199 30 20 IKED N#C[C@H](C(=O)c1cccc(-c2nc[nH]n2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 556567441 DUEMLUWXPYUFKA-OAHLLOKOSA-N 440.315 5.392 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1 557595526 LENKOFXYPDTLBU-QHCPKHFHSA-N 425.525 5.349 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 559252923 QXUSRYPUXJUDOM-UHFFFAOYSA-N 448.454 5.949 30 20 IKED N#C[C@H](NC(=O)c1cc(Cl)cc(F)c1Br)c1cccc(C(F)(F)F)c1 559575018 XHMOBRDMOCNWJA-ZDUSSCGKSA-N 435.602 5.255 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc(Cl)cc(F)c2Br)c1C 559581939 WGNSASOQKJEUAK-UHFFFAOYSA-N 447.695 5.168 30 20 IKED Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 560695345 GQOLTWMYTBTWEZ-FQEVSTJZSA-N 433.449 5.032 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1 562141026 JXKOXDMMLRHIIG-SDHSZQHLSA-N 439.515 5.387 30 20 IKED CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 568015295 CWOHDDWTBGZAEZ-MDMXATFFSA-N 445.485 5.047 30 20 IKED Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 569414212 NEZGXXTYOJLFSI-ZEQRLZLVSA-N 428.492 5.096 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3ccccc3SCc3cccs3)cc2)ccn1 574128236 OPQHOFRYUOKVBF-UHFFFAOYSA-N 443.553 6.352 30 20 IKED CN(Cc1nc(C#N)cs1)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 574851564 RXOPJQNRAWFBCN-UHFFFAOYSA-N 433.968 5.212 30 20 IKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc2n[nH]cc2c1 579872647 OZQMDJWBNZHCJY-KRWDZBQOSA-N 425.492 5.091 30 20 IKED CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccccc1Sc1ccccc1C#N 586857523 RQUFJTVHEMSOJB-UHFFFAOYSA-N 432.530 5.093 30 20 IKED Cc1ncc2n1CC[C@H](C(=O)Nc1ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c1)C2 589434408 ZAWXEMFQOVKLEY-HNNXBMFYSA-N 440.425 5.075 30 20 IKED FC(F)(F)c1cc(N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)nc(-c2cccnc2)n1 604882241 IQAKEAOGCIKULX-QWRGUYRKSA-N 444.301 5.125 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 608915711 WKIJNHXJWXGEDP-UHFFFAOYSA-N 430.474 5.620 30 20 IKED CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1cc2ccccc2n1CC#N 609168668 AMXQDXHNKCNVOX-UHFFFAOYSA-N 426.520 5.305 30 20 IKED Cc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c(OCc2ccccc2)c1 609504213 BSCALPUAYSILOX-UHFFFAOYSA-N 435.483 5.885 30 20 IKED N#Cc1cccc(OCCCCC(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c1 609504725 ADTIUNOUJAKCGC-OAQYLSRUSA-N 449.551 5.564 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3cccc(NC(=O)c4ccccc4)c3)c2)c1 609642361 AJFOONRVLKEERB-UHFFFAOYSA-N 447.494 5.642 30 20 IKED Cc1cccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1C 609691356 JUPLZZRAOHLVMF-QGZVFWFLSA-N 447.922 5.437 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)CCc3c(C)nc(O)c(C#N)c3C)s2)cc1 610050623 FKTBLNOSSIXJPT-SFHVURJKSA-N 448.592 5.168 30 20 IKED C[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ncc(-c2ccccc2)o1 610094058 FKMZBULQDRTGHG-ZDUSSCGKSA-N 430.386 5.037 30 20 IKED CC(C)CC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1F 610226023 ADWBJMJIGGACNP-UHFFFAOYSA-N 431.467 5.727 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 611466980 HVHDBPPQVPWDAP-UHFFFAOYSA-N 444.516 5.433 30 20 IKED C[C@]1(C#N)CCCN(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)(F)F)C1 612310675 SEVBDZSJBBOXEY-OAHLLOKOSA-N 425.398 5.517 30 20 IKED CN(Cc1ccc(OC(F)F)cc1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612805470 IUSOSSZSTVUKKM-ITGUQSILSA-N 448.354 5.339 30 20 IKED CCc1ccc([C@H](NCc2ccc(C(C)(C)C#N)cc2)c2cccc(S(C)(=O)=O)c2)cc1 614058554 CMPQARQNVKPWSG-SANMLTNESA-N 446.616 5.333 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 618757195 WBMNSRVBGJXGQC-IBGZPJMESA-N 438.409 5.573 30 20 IKED C[C@@H]1Sc2ccc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2NC1=O 642282047 HADVIJKVXMTFLJ-CABZTGNLSA-N 447.463 5.238 30 20 IKED COc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2ccc(Cl)cc2)s1 725759719 UGAFWKPUCZTHAP-UHFFFAOYSA-N 426.954 5.507 30 20 IKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1C1CCCC1)c1cccs1 726418950 GBUMELWTULCKIP-ZPGIOUQYSA-N 445.585 5.220 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 728063124 WPTDCNLNWDGDKZ-IBGZPJMESA-N 431.511 5.044 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 728521506 DFSXOKIFVQAHTI-UHFFFAOYSA-N 429.476 5.950 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC=C(c2c[nH]c3ccccc23)CC1 731031481 SZOBCQHGCWTUER-GOSISDBHSA-N 430.577 5.147 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 731054147 BQINLDYIWNHMNQ-RUZDIDTESA-N 448.469 5.215 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 731109795 RLBWEJQNBDKJBL-UIOOFZCWSA-N 443.522 5.459 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 731288418 UTRHPTPQYLIXGX-HKBOAZHASA-N 436.483 5.606 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C)ON=C(N)c1ccc(OCc2ccccc2)cc1 733304339 JSYZDVXFKVFMEQ-IBGZPJMESA-N 445.563 5.055 30 20 IKED Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1ccc(F)nc1 733913399 MPYNHEBSOAJVNZ-IBGZPJMESA-N 436.468 5.055 30 20 IKED Cc1ccnc(-c2ccc(N=Cc3cc(Br)cc(Br)c3O)cc2)n1 734303246 ILGQYFJOFRQPPY-UHFFFAOYSA-N 447.130 5.433 30 20 IKED CSCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1 735969383 IUJHUBMSSNPVAF-SFHVURJKSA-N 448.013 5.053 30 20 IKED CN(C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C1CCN(Cc2ccccc2)CC1 740484253 KSLUBMOSSCSIPD-UHFFFAOYSA-N 444.604 5.093 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](CCO)c2cccs2)cc1Cl 741061333 SLWSOYBDVJQPMS-UYAOXDASSA-N 425.941 5.302 30 20 IKED CCCCOc1ccc(/C=C\C(=O)c2ccc(S(=O)(=O)CC(F)(F)F)cc2)cc1 741851620 BVFIPGBVYKYYQC-MLPAPPSSSA-N 426.456 5.098 30 20 IKED COc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc(OC)c1OC(F)F 742537476 KLVPPTUEURZKEL-LJQANCHMSA-N 438.430 5.213 30 20 IKED N#C[C@H](C(=O)C1CCC(c2ccccc2)CC1)c1nc(O)c2c3c(sc2n1)CCCC3 744016853 UYZRVBNSWNQTPC-FAFZWHIHSA-N 431.561 5.426 30 20 IKED C[C@H](ON=Cc1ccc(Br)cc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 744445174 KMYDDZHTKANYAK-NSHDSACASA-N 440.219 5.630 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)COc3ccc(-c4ccccc4)cc3Cl)o2)c1 744581655 UIBKLCKRFGIHMV-UHFFFAOYSA-N 445.862 5.051 30 20 IKED CC/C(=C/C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(Cl)c1 745756515 AQNOXHVOHMXLBJ-DXFLKOCDSA-N 442.968 5.710 30 20 IKED CCOCCOCc1cccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1C 746025219 DBWFTMNTCSZBIQ-VWLOTQADSA-N 443.547 5.848 30 20 IKED Cc1ccc(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1N1CCOC1=O 746725527 YFIUEYJOPNXUNU-UHFFFAOYSA-N 428.448 5.260 30 20 IKED N#Cc1ccc(C(=O)COC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)cc1 748257593 HZOOBRSTAJAIHN-UHFFFAOYSA-N 427.243 5.092 30 20 IKED CCN(CCC#N)C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 749305759 STRHEDQDICUGPP-UHFFFAOYSA-N 440.619 5.331 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(Cc2cccnc2)Cc2ccccc2C)cc1C#N 752302858 LZUDYGAXSLKFJQ-UHFFFAOYSA-N 443.507 5.064 30 20 IKED O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1ncc(Br)s1 756846300 HURWZRRQICMJBT-CMDGGOBGSA-N 447.741 5.707 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(c3ccc(F)cc3F)CCOCC2)cc1 760389882 MBAKRFZZRGSRRX-QFIPXVFZSA-N 432.470 5.307 30 20 IKED N#CCOc1cccc(CC(=O)OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 760637532 IVCXQMPIKAKZAO-UHFFFAOYSA-N 432.423 5.017 30 20 IKED C=CCn1c(-c2ccc(C)cc2)nn(CNC2(c3nc(C)cs3)CCCC2)c1=S 764120819 GYJBOHAONXKDKN-UHFFFAOYSA-N 425.627 5.357 30 20 IKED O=C(/C=C/c1ccc(Oc2cnccn2)cc1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 771097570 JWLZGEDHTXVMLQ-VMLCMGRWSA-N 434.467 5.252 30 20 IKED CCOc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c3ccccc3)cc1)CCO2 775489658 WTUCMTCSGHDMSN-ZEQRLZLVSA-N 427.504 5.386 30 20 IKED C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(OCc2ccccc2)cc1 777115939 RWGOZPAHHNRETD-FQEVSTJZSA-N 427.548 5.271 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(F)cc3Br)n2)cc1 777297020 NADFJUVGEXAGSJ-INIZCTEOSA-N 445.313 5.139 30 20 IKED FC(F)(F)c1cc(NN=Cc2c(Cl)ccc3cccnc23)nc(-c2cccnc2)n1 781127329 LYWIBYFKTQKWBG-UHFFFAOYSA-N 428.805 5.205 30 20 IKED Cc1nn(C(F)F)c(C)c1COC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 784996240 WBCFGXIUUAKKJX-UHFFFAOYSA-N 446.294 5.055 30 20 IKED Cc1cc(Br)cc([C@@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1O 786962413 WRUZFNTUSQUAQB-OAHLLOKOSA-N 442.357 5.219 30 20 IKED CSCc1cc(C(=O)[C@@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)ccc1F 787046579 RLIQUZAPLPKIGF-BDJLRTHQSA-N 439.339 5.195 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 789451792 OCISMZJJUCUWGF-QUCCMNQESA-N 429.605 5.696 30 20 IKED Cc1ncc(CON=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cn1 795197969 VNKMLOZHUFISNE-UHFFFAOYSA-N 439.515 5.494 30 20 IKED C[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 795979540 CTQTYJJMSQHCFY-AZUAARDMSA-N 448.519 5.076 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC=C(Br)C2)cc1Cl 799387029 HZICHJPQPXIEGH-GOSISDBHSA-N 430.733 5.512 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)cc1C#N 799708506 RJHBWWAEMAOCJR-UHFFFAOYSA-N 443.290 5.681 30 20 IKED Fc1cc(NC(=S)Nc2cccc(OC(F)(F)F)c2)ccc1OCC(F)(F)F 799899906 DUEWALUVRJBTHN-UHFFFAOYSA-N 428.329 5.474 30 20 IKED C[C@H](Nc1nc(Cl)c(C#N)s1)c1nc(-c2ccc(Br)cc2)cs1 804555457 KGXHVUQDODSHMB-QMMMGPOBSA-N 425.764 5.727 30 20 IKED C#CCN(C(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC)C1CCCC1 810150558 WVMNQJORZDPHKZ-UHFFFAOYSA-N 449.551 5.146 30 20 IKED Cc1c(Cl)cccc1N=C1SCCN1C(=O)c1cc(C2CC2)nc2onc(C)c12 835841056 PMXLRZYREQJXEJ-UHFFFAOYSA-N 426.929 5.247 30 20 IKED Nc1ccc(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1OC(F)(F)F 857481190 XKFBTXSGHCLBNC-ZDUSSCGKSA-N 446.269 5.220 30 20 IKED C=CCn1c(S)nc2cc(C(=O)Nc3ccc(-c4ccccc4)cc3C)ccc2c1=O 914861333 LGEYJMQSCLMYOV-UHFFFAOYSA-N 427.529 5.099 30 20 IKED CC(C)NC(=O)Nc1ccc(C(=O)/C=C\c2cc3cnn(C(C)C)c3nc2Cl)cc1 915115025 SKAJKEIDIZYVEI-YFHOEESVSA-N 425.920 5.092 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12 916919302 VSCLPYQISQTMPP-FQEVSTJZSA-N 443.503 5.296 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CSCc3coc(-c4ccccc4)n3)n2)cc1 916973949 ARGVTRPROUPVOF-HXUWFJFHSA-N 445.569 5.883 30 20 IKED C[C@H](Oc1ccc2c(c1)CCC2)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042914 HZPMTPBNFHSRSK-YVEFUNNKSA-N 430.451 5.448 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H]2COc2ccc(Cl)cc2)o1 917101733 OZNLKTIEZXUNGI-LJQANCHMSA-N 436.895 5.067 30 20 IKED N#C[C@H](C(=O)CN1CCC[C@H]1c1ccc(Br)cc1)c1nc2ccccc2s1 917205114 GHBOVKIVBARTPI-AEFFLSMTSA-N 440.366 5.072 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2c(C)[nH]c3ccccc23)cs1 917560585 RWFFZHOYIUIEAV-XFXZXTDPSA-N 435.936 6.167 30 20 IKED CCCCCCCCc1nnc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)s1 918681222 CRNOCJWTMSRPEY-UHFFFAOYSA-N 443.617 5.324 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 921114772 YBMMVVZJCREMJH-WZONZLPQSA-N 446.501 5.268 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C#N)cc3)cc2)CCC1 1785881643 FDBXZCRPUYZUBD-XMMPIXPASA-N 427.548 5.003 30 20 IKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc2)cc1Cl 1785945398 OFJOHEIEHBSHTD-JFLMPSFJSA-N 449.938 5.108 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C(=C)Oc3ccccc3O)cc2)CCC1 1788640651 FZLJWRLGRPAWQQ-QFIPXVFZSA-N 446.547 5.187 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4c(F)cc(F)cc4[nH]3)cc2)CCC1 1788985914 DIQSTFVKQZLAJQ-OAHLLOKOSA-N 437.490 5.406 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C3CCN(C(C)C)CC3)CCC2)cc1 1789452837 ARSRGVLZTODPFF-XMMPIXPASA-N 437.628 5.009 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4nc[nH]c4c3)CCC2)cc1 1789454504 ZOAVXPVMXHVPFE-NRFANRHFSA-N 428.536 5.079 30 20 IKED Cc1nc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)cs1 1792122621 OYYBTRYYYGMYMT-INIZCTEOSA-N 444.560 5.140 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc4cccc(C)c4[nH]3)CC2)C1 1804861953 DKQDCHGXMXMQQT-UHFFFAOYSA-N 435.612 5.314 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccnc1 1811951490 PWEGQCYLJOUECB-CLJLJLNGSA-N 445.607 5.293 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)C23CCC(CC2)CC3)[C@H]1c1cccnc1 1813558640 AAXNVMSFHQXEHI-RDQXJMKESA-N 437.628 5.050 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)C23CCC(CC2)CC3)[C@@H]1c1cccnc1 1813558644 AAXNVMSFHQXEHI-YRKJJQBRSA-N 437.628 5.050 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cccs2)n[nH]1 1815992256 GYRMJFQCQVIUMK-IBGZPJMESA-N 428.602 5.089 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ncccc23)n[nH]1 1818470623 POIQBAUGUBFUIR-HSZRJFAPSA-N 443.551 5.032 30 20 IKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(CC(C)C)cc2)n[nH]1)C(F)(F)F 1821250859 TUDVCAROBSQILE-LJQANCHMSA-N 448.489 5.033 30 20 IKED Cc1csc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823211268 LRTMCTJPXFFTJY-OXQOHEQNSA-N 447.564 5.026 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@]2(F)CCCC=C2F)n[nH]1 1823582188 FPUNNKHZLSLXFS-SBUREZEXSA-N 434.531 5.140 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2C)CC1 1823926028 LRVDQNVCWKVVMK-QPPBQGQZSA-N 426.576 5.136 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)c(F)c2)CC1 1824143121 HUBQUEGGAMVRPI-DEOSSOPVSA-N 426.576 5.136 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CSc2ccccc2)CC1 1826519797 ATYQSZJPNDKHAR-BJKOFHAPSA-N 440.653 5.167 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)ccc2C)CC1 1828823343 FIKWCSAVPSCUAK-VWNXMTODSA-N 426.576 5.136 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCc3ccccc32)CC1 1831979320 VCFLQZPUBAJLDZ-AFESJLNVSA-N 434.624 5.105 30 20 IKED CCn1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nnc1-c1ccc(C(C)(C)C)cc1 10409212 QDGMCGNOWJCBNB-MRXNPFEDSA-N 433.581 5.253 30 20 IKED C=CCn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nnc1-c1ccc(OC)cc1 22048539 SWBAZMOFMCBYQF-UHFFFAOYSA-N 439.928 5.135 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2cccc(O)c2)cc1F 22732115 RKOJTXPXOQFAPJ-UHFFFAOYSA-O 437.560 5.476 30 20 IKED O=C(/C(=C(/S)Nc1cc(Cl)cc(Cl)c1)[n+]1ccccc1)c1cc(F)ccc1F 22733053 YHVQRDZXEDPDCK-UHFFFAOYSA-O 438.306 5.610 30 20 IKED N#Cc1ccccc1-c1ccc(CSc2nnc(COc3ccc(Cl)cc3)o2)cc1 23452835 UAVVHSOOEHIDEV-UHFFFAOYSA-N 433.920 6.133 30 20 IKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccccc1C(C)(C)C 33148100 YORVRAWTNQWWJN-UHFFFAOYSA-N 431.330 5.034 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1OC 96983219 JGQMVRMZGQYQPF-YBEGLDIGSA-N 443.503 5.556 30 20 IKED Cc1cc(NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)n(CCC#N)n1 109346111 BSJAHAOPLLFCBK-UHFFFAOYSA-N 433.562 5.260 30 20 IKED Cc1ccc(C)c(OCc2nnc(SCC(=O)/C=C3/N(C)c4ccccc4C3(C)C)o2)c1 138756128 QWXMDWCHPYJNSN-LPYMAVHISA-N 449.576 5.238 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)c2)c1 195572806 FSMYMVQFHVCNTA-UHFFFAOYSA-N 442.862 5.371 30 20 IKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cccc(F)c1 195634556 KUMNDFAJXBPXGC-QHCPKHFHSA-N 441.466 5.134 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c(C)n1[C@H](C)c1ccccc1 195662625 QSABCDHLUBBTLC-VGSWGCGISA-N 426.545 5.723 30 20 IKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1 252595490 CAUZIJFGNYRKKO-GOSISDBHSA-N 447.482 5.160 30 20 IKED N#Cc1c(Cl)nsc1Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 301925769 IVARJUSGZGYGLI-UHFFFAOYSA-N 427.917 5.265 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H](C)c2cccc(C(F)(F)F)c2)cc1OC 302222637 OUQQNFXCDIAGPY-ZDUSSCGKSA-N 444.291 5.892 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(NC(=O)C(C)C)ccc1Cl 303909560 QZQLSUATKCXCSG-UHFFFAOYSA-N 447.922 6.159 30 20 IKED Cc1c(-c2nc(CC(=O)Nc3ccc(F)c(Cl)c3)no2)sc2ccc(C#N)cc12 426439870 KQYBITHBGYHMSG-UHFFFAOYSA-N 426.860 5.105 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2CCOC3(CCCCC3)C2)cc1 426515212 HMXDHIIXYJQBHJ-DEOSSOPVSA-N 435.543 5.291 30 20 IKED COC(=O)c1cc([C@H](C)SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)oc1C 431076814 GZXPHEXCOPTSBL-ZFWWWQNUSA-N 432.567 5.202 30 20 IKED COCc1nc(CNC(=O)N[C@H](CCCC#N)c2ccccc2)c(-c2ccccc2)s1 431302264 NKFSCHBOCIGKMQ-HXUWFJFHSA-N 434.565 5.191 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 432466312 SJALKZUYUVLLHN-QHCPKHFHSA-N 437.952 5.288 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)Cc2ccccc2O1 432920113 WWYXNXKPMLTQJE-LJQANCHMSA-N 427.504 5.147 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1)c1ccc(C#N)cc1 433675214 OSYROQNYOIXKEQ-GFCCVEGCSA-N 428.279 5.330 30 20 IKED Cn1cc(C#N)cc1C(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 433725815 BOMIPIYLPKEKGY-UHFFFAOYSA-N 432.867 5.036 30 20 IKED N#CCCn1cc(CN2CCC[C@H]2c2ccc(Br)s2)c(-c2ccncc2)n1 434982844 NTTBZGPJEJRVML-KRWDZBQOSA-N 442.386 5.020 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@H](CSc3ccccc3)C2)cc1 437842260 PDOKFKPBILJXEX-LJQANCHMSA-N 429.545 5.997 30 20 IKED COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438660597 MUDIUJPTDJTHGN-NRFANRHFSA-N 431.467 5.867 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)C3(Cc4ccc(OC(F)(F)F)cc4)CC3)CC2)cc1 438947712 NJAQNEMOEZQOGQ-UHFFFAOYSA-N 426.438 5.095 30 20 IKED C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 439020812 ORUZOZWRZCJSQG-HNNXBMFYSA-N 435.936 5.642 30 20 IKED N#CC1CCC(CNC(=O)C(=O)Nc2cc(Cl)ccc2Sc2ccc(F)cc2)CC1 443337255 BLZPZSCZXOSBES-UHFFFAOYSA-N 445.947 5.015 30 20 IKED COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cn(CCCC#N)c2ccccc12 443912945 IFEHNTWUMPAARB-UHFFFAOYSA-N 445.441 5.241 30 20 IKED CN(C)CCCN(CCC#N)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1 444398876 RUGDMAZYKRRTFK-UHFFFAOYSA-N 434.462 5.197 30 20 IKED Cc1cc(Br)ccc1CN(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N 444706104 BZZOQVSCTFLTOP-MRXNPFEDSA-N 446.414 5.222 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCn3c(cc4ccc(Cl)cc43)C2)cc1 446136623 KCPAMWKVBHZQTK-UHFFFAOYSA-N 448.954 5.157 30 20 IKED C=C(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC2(CCOCC2)[C@@H]1C 460393929 LFXYDEYLXVGIET-FQEVSTJZSA-N 448.567 5.089 30 20 IKED Cc1c(O)nc(SCC(=O)c2cn(CCC#N)c3ccccc23)nc1-c1ccccc1 460435329 FIDRWITYTPBFDJ-UHFFFAOYSA-N 428.517 5.001 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 460955719 GHBJXJSJOKPUOM-DHMKHTPVSA-N 446.979 5.249 30 20 IKED C[C@@H]1CCCN(c2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)ccn2)C1 464182889 GTZGQTLTOTXARW-DNVCBOLYSA-N 436.968 5.585 30 20 IKED N#C[C@@H](C(=O)c1cc(F)c(F)cc1C(=O)c1ccccc1)c1cc(C(F)(F)F)ccn1 464473588 SPEXYMMWGPPHKX-MRXNPFEDSA-N 430.332 5.100 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1ccccc1Cl)c1ccccc1OC 466078667 NTYSPLJPNQAGQO-RUZDIDTESA-N 445.950 5.707 30 20 IKED C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F 467995352 PMCSAVSOVXSGKW-ZHAHWJHGSA-N 438.290 5.171 30 20 IKED CC(C)Cc1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 469952704 JKHMWJUHOSPNFB-UHFFFAOYSA-N 445.563 5.070 30 20 IKED CCC(C)(C)N(CCC#N)C(=O)Cc1csc(-c2cc(Br)cs2)n1 471162102 SCAXSZWMBVYBPC-UHFFFAOYSA-N 426.405 5.107 30 20 IKED N#CC[C@@H](CC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1ccccc1 476045149 YJSBEOKHFPGIFI-INIZCTEOSA-N 443.400 6.058 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C 480204004 XIRWCANDVYFSEX-UHFFFAOYSA-N 446.016 5.802 30 20 IKED Cc1cc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)nn1[C@@H](C)C1CC1 480601139 LVKULSMSTRVUJF-INIZCTEOSA-N 433.487 5.396 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)Nc1ccccc1CC 481402283 PIPOEWCEBZJENZ-SFHVURJKSA-N 436.581 5.033 30 20 IKED C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)c1ccccc1Oc1ccccc1 483617992 HDPNWKOINGOIRV-QZTJIDSGSA-N 449.532 5.047 30 20 IKED Cc1ccccc1NCCC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 487321859 KUJUGLFSSMNOJH-UHFFFAOYSA-N 444.482 5.374 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)nnc1-c1ccc(C)cc1 489661126 PLEHHOMOAFIQSO-PKOBYXMFSA-N 438.622 5.345 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2cccc(Br)c2)cc1)c1nc2ccccc2[nH]1 492071675 UYQURTHOPCODRS-SFHVURJKSA-N 432.277 5.608 30 20 IKED C[C@@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 495476763 XPRUIBKCBXIACD-OAHLLOKOSA-N 428.517 5.212 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cnn1C1CCOCC1 500881982 AVZALUJETJDECC-UHFFFAOYSA-N 436.899 5.113 30 20 IKED Cc1nn(Cc2ccccc2)c2sc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc12 503982083 XXPHHNJBUKUDIE-UHFFFAOYSA-N 438.556 5.256 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)nnn1-c1ccccc1Cl 504325186 PXJROIHLJNJXMU-UHFFFAOYSA-N 429.867 5.145 30 20 IKED CCCN(C(=O)Cc1ccc(C#N)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 504386490 BGIFFBNIYRHBSU-UHFFFAOYSA-N 430.360 5.974 30 20 IKED COc1ccccc1N1CC[C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 506638947 ZQLZFRHCRGEFQY-FQEVSTJZSA-N 442.519 5.007 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2Cl)C(C)C)nc2sccc2c1=O 510308669 QTUJWIVFHOYEQD-INIZCTEOSA-N 433.986 5.053 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N(C)Cc1ccc(OCc2ccccc2)c(OC)c1 510856506 GJKSTJCXXPUAGD-UHFFFAOYSA-N 445.519 5.208 30 20 IKED COc1cc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)ccc1OCc1cscn1 511141036 HYHQAAOPYYYLBE-UHFFFAOYSA-N 447.541 5.583 30 20 IKED COc1cc(C#N)ccc1OCCCc1nc([C@H](F)c2ccc(C(F)(F)F)cc2)no1 512023650 JGEZRXSAXPKRER-LJQANCHMSA-N 435.377 5.039 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ccc(Cl)s2)n1)c1nc(-c2ccccc2)cs1 516713774 IYPCOGDAIKKILL-LBPRGKRZSA-N 427.963 6.139 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(COc4ccccc4)cc3)n2)cc1 518516468 FLUHZFRANOTPDX-HSZRJFAPSA-N 440.524 5.888 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 519413132 DFRNBVVINGVKLJ-KRWDZBQOSA-N 447.516 5.674 30 20 IKED COc1ccc([C@@H](NCc2ccc(C#N)cc2C(F)(F)F)c2ccccc2OC)cc1 519735194 QLOBHHYCAKHPSJ-HSZRJFAPSA-N 426.438 5.473 30 20 IKED Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1ccccc1-c1ccccc1C#N 519985920 GWKCGUHJEQYXJV-LJQANCHMSA-N 437.543 5.658 30 20 IKED COc1ccc(CC[C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 522463334 POBHJIXEZOSIIF-HXUWFJFHSA-N 445.538 5.439 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)Nc3ccc(OCC4CCOCC4)cc3)cc2)c1 523008509 XYGPOSGXBHFNRB-UHFFFAOYSA-N 443.503 5.800 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)cc1 523517428 DLJINVMTZQVCOM-IBGZPJMESA-N 449.457 5.472 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 524440989 MCUKBGMNZNPUEF-AREMUKBSSA-N 441.531 5.823 30 20 IKED C=CCN(C(=O)[C@H]1C[C@@H]1c1cccc(OC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 524669498 FSPRXUNZHASITD-UXHICEINSA-N 435.505 5.050 30 20 IKED COc1ccc(C[C@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC 525220647 ABWDLNUVXOGIIC-KRWDZBQOSA-N 431.492 5.120 30 20 IKED C=CCn1c(SCc2ncc(-c3ccccc3Br)o2)nnc1-c1ccco1 525623826 FQMGGOZIMSRTEQ-UHFFFAOYSA-N 443.326 5.434 30 20 IKED N#Cc1ccc(-c2nnc(CSc3nnc(-c4ccccc4)c(-c4ccccc4)n3)o2)cc1 525626015 XMNDLQBPLZIZEG-UHFFFAOYSA-N 448.511 5.420 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(C)cc1OC[C@@H]1CCOC1 532034561 ROBGZZSVRPCFDP-QGZVFWFLSA-N 434.989 5.023 30 20 IKED Cc1ccc2c(C3=CCN(CC(=O)Nc4ccccc4S[C@@H](C)CC#N)CC3)c[nH]c2c1 533351216 JFHYUTLVWPWVJK-IBGZPJMESA-N 444.604 5.598 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc1Cl 534914572 UOTJDCNLNBCIET-UHFFFAOYSA-N 426.259 5.009 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccccn4)c3C(C)C)n2)cc1 535405538 UTCJXDXOEFCYFA-SFHVURJKSA-N 443.532 5.013 30 20 IKED C=CCC[C@H](N[C@H](C)c1ccc(NS(C)(=O)=O)cc1)c1ccc(C(F)(F)F)cc1 536839039 KPITWFPDFBTMPE-QRWLVFNGSA-N 426.504 5.435 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1 538351000 SRUGDYMENDKELW-GMAHTHKFSA-N 438.405 5.028 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N[C@H]3CCO[C@H]3c3ccc(F)c(F)c3)c2)cc1 539453838 QLCDWBROFWZWBC-GOTSBHOMSA-N 435.430 5.280 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3coc(-c4ccccc4Cl)n3)n2)cc1 539587341 ZSWGBROBBUTEDD-MRXNPFEDSA-N 430.876 5.480 30 20 IKED COc1ccc(CN2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)cc1OCCCC#N 539839603 WYEBWFDKBVMCRA-QFIPXVFZSA-N 446.595 5.688 30 20 IKED Cc1nc(-c2ccc([C@H](C)N[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)cc2)cs1 540381837 XPIJILBQVIPXCB-KBPBESRZSA-N 436.606 5.218 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N[C@H](C)C(=O)N(CCC#N)c2ccccc2)cc1 540456005 PRVCBIJYWYOAAE-LEWJYISDSA-N 427.548 5.348 30 20 IKED N#Cc1ccc(CN2CCC(Nc3ccc(F)c(NC(=O)C4CCCCC4)c3)CC2)cc1 541902336 BLIWOQKQPBIZQE-UHFFFAOYSA-N 434.559 5.293 30 20 IKED C[C@@H]1Sc2ccc(C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc2NC1=O 541998578 BLPLAQCIPWVPFL-CVEARBPZSA-N 427.529 5.149 30 20 IKED COc1ccc(C#N)cc1CN[C@@H](C)c1sc(-c2ccccc2Br)nc1C 543496233 DHMHLOPNQVPWAE-ZDUSSCGKSA-N 442.382 5.612 30 20 IKED Cc1cc(NC(=O)N2CCC(C)(C#N)CC2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 543624741 DIQWYHGRWDHZIK-UHFFFAOYSA-N 425.842 5.011 30 20 IKED Cc1cc2nc(C)c(CCC(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)c(C)n2n1 543957132 QONTUESRHCRKRP-SFHVURJKSA-N 437.547 5.003 30 20 IKED C[C@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 544534674 IJQLRYNMMMFFMY-AOMKIAJQSA-N 432.911 6.014 30 20 IKED CCC[C@@H](NC(=O)c1ccccc1)c1noc(/C=C\c2cn(CCC#N)c3ccccc23)n1 545780978 DFAISRPEHZWQSD-KSAKKHMLSA-N 439.519 5.380 30 20 IKED CCCN(C(=O)c1ccc(C#N)c(Cl)c1)[C@@H](c1cccnc1)c1ccc(F)cc1F 548618676 BQRQFNCPZHABGI-QFIPXVFZSA-N 425.866 5.527 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(OC(C)(C)C)CC1 555238141 DXDHVVOEWZJJGD-FQEVSTJZSA-N 426.605 5.395 30 20 IKED N#Cc1cc(C(=O)N(CCSc2ccc(F)cc2)c2ccccc2)cnc1C(F)(F)F 556360373 GLJDMJQBZPOYQW-UHFFFAOYSA-N 445.441 5.550 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1 562141021 JXKOXDMMLRHIIG-DSITVLBTSA-N 439.515 5.387 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3[C@H]4CC[C@H]3c3ccccc34)cc2Cl)c1 569158099 FVFFGDTYLMKJRP-GOTSBHOMSA-N 429.907 6.214 30 20 IKED COc1ccccc1-c1nn(C)cc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 572084059 XPWQUQIGCUZGLO-UHFFFAOYSA-N 438.487 5.320 30 20 IKED Cc1c(C(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)sc2ccc(C#N)cc12 578746425 UOLFMBOIJPBGKA-UHFFFAOYSA-N 426.563 5.047 30 20 IKED O=C(CNc1cccc(C(F)(F)F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 591430304 GKQLCVWCEKSQHD-QWRGUYRKSA-N 436.318 5.143 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2cccc(Br)c2)n1)c1nc(-c2ccccc2)cs1 592975396 DHCUEBHZGBLEOJ-QGZVFWFLSA-N 449.333 5.248 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2 603451841 AFDFVPUBDAEGSS-OAHLLOKOSA-N 442.544 5.448 30 20 IKED N#CCC[C@H](C#N)CSc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccccc1 608850812 LBXVAHXAELYBGV-QGZVFWFLSA-N 442.569 5.650 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1c[nH]c2cc(Cl)ccc12 609060825 IMBLPPNXMOGACE-UHFFFAOYSA-N 429.907 5.762 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3ccccc3OCc3ccccc3Cl)CC2)c1 609184631 NWBXMEXHNHFXRD-UHFFFAOYSA-N 446.934 5.474 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3cccc(Sc4ccccc4)c3)CC2)c1 609398315 LHJPYEFAPOZXNU-UHFFFAOYSA-N 429.545 5.785 30 20 IKED COc1ccc(CCC2CCN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CC2)cc1 609498037 KYBCVMIKLFBYMG-UHFFFAOYSA-N 441.531 5.239 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC[C@H]3CCN(c4ccc(Cl)cc4)C3)cc2)cc1 609516324 OOZLAFDBVQLADK-HXUWFJFHSA-N 445.950 5.455 30 20 IKED CCN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@@H](C)c1cccc(O)c1 609844655 OWPGWPMGTYYWQS-IBGZPJMESA-N 429.520 5.652 30 20 IKED C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 610019048 PXMKERLKWZTOCE-MRXNPFEDSA-N 433.458 5.567 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)c1cccc(C#N)c1 610052259 TVTGDZNGYNMWDC-LBPRGKRZSA-N 426.339 5.244 30 20 IKED C=CCN(C(=O)C[C@H](C)CC(C)(C)C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 614532153 QMCUYJBGLDDMJC-INIZCTEOSA-N 434.627 5.195 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3C(=O)c3cccs3)cn2)cc1 618044998 HCCRRFUDRGDUIB-UHFFFAOYSA-N 425.469 5.290 30 20 IKED Cc1nnc(-c2cccc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2)o1 675513111 KWQOIRAGWLFQCT-CQSZACIVSA-N 428.395 5.164 30 20 IKED N#C[C@@H](C(=O)c1cc(F)c(F)cc1C(=O)c1ccccc1)c1nc2cc(F)ccc2s1 684631904 NWSXFIDGHHDKSC-INIZCTEOSA-N 436.414 5.435 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OC)c(Cl)c2)[n+]2ccc(C)cc2)c1 726572398 BYCKPTYXJVUNQG-UHFFFAOYSA-O 435.956 5.249 30 20 IKED COc1ccc(-c2cc(C(=O)N[C@H](C#N)c3ccc(F)cc3)c3ccccc3n2)cc1OC 727644052 VAGKWKXNVKCXKD-HSZRJFAPSA-N 441.462 5.053 30 20 IKED N#C[C@H](C(=O)Cc1ccccc1Br)c1nc(-c2ccc(Cl)cc2)cs1 729187119 VEPONONWBWMTLI-OAHLLOKOSA-N 431.742 5.645 30 20 IKED COc1cccc([C@H](C#N)NC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)c1OC 729431554 CZRBDAGYIXDGRH-HNNXBMFYSA-N 448.331 5.129 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)cc2)C[C@@H](C)O1 730176853 BGKXSJJJUVUNNE-HDICACEKSA-N 445.494 5.356 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2sccc2SC(F)F)cc1 730482789 VRPCEORUNZZSMN-UHFFFAOYSA-N 432.492 5.916 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 730988919 FBJGVOKGPALARU-SBUREZEXSA-N 442.540 5.645 30 20 IKED Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccccc3S[C@H](C)CC#N)c2Cl)cc1 731332104 CYJLYNRSGZUPRY-MRXNPFEDSA-N 438.984 5.848 30 20 IKED COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Nc1ccccc1S[C@H](C)CC#N 731340483 PKQGTWSSGQEAGH-CYBMUJFWSA-N 447.969 5.092 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC[C@H](O)c3cccc(C(F)(F)F)c3)cc2)cc1 732289033 BIMMQYPEHJYALF-QFIPXVFZSA-N 440.421 5.027 30 20 IKED N#CCOc1ccc(COC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 733416776 PFHVFSALBLMGAB-ZZXKWVIFSA-N 429.316 5.383 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2c(C)cc(Br)cc2C)ccc1OC 733621986 JAOIOKYJGXCJRQ-KRWDZBQOSA-N 446.345 5.077 30 20 IKED CCCOc1ccc(Cl)cc1NC(=O)NCc1ccc(OC)c(O[C@H](C#N)CC)c1 733625208 VPKCNSPWSJWYSL-KRWDZBQOSA-N 431.920 5.140 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)c3cccc(OCc4cscn4)c3)c2)s1 739593980 BOUJTNMAJZPVST-UHFFFAOYSA-N 431.542 5.252 30 20 IKED Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740434111 CTWXJWPFSFFJIR-UHFFFAOYSA-N 444.560 5.153 30 20 IKED CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cccc(OCCCC#N)c1)c1cccc(Cl)c1 740817766 MNQGDEAALQWZCI-HXUWFJFHSA-N 443.931 5.227 30 20 IKED CC(C)c1nn(C)c(Cl)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 741536193 HFKMUIINAJEJSO-QGZVFWFLSA-N 427.335 5.758 30 20 IKED O=C(/C=C\c1ccc(-c2c(F)cccc2F)o1)c1ccc(S(=O)(=O)CC(F)F)cc1 741852121 KAFCJCCZSBOWDA-POHAHGRESA-N 438.398 5.160 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 741924233 DTEPDVPAAKXXLA-CQSZACIVSA-N 426.463 6.275 30 20 IKED COc1ccc(CN[C@H](C)c2sc(-c3ccc(Br)cc3)nc2C)cc1C#N 742372065 PXYKXAKHKYDXCF-CYBMUJFWSA-N 442.382 5.612 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnc(-c3ccc(OC)cc3)s2)cc1 744032073 BLTRIDULYKBMLJ-MGPUTAFESA-N 433.533 5.293 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(-c3ccc(OC)cc3)cc2)c1 745821502 RKONWHUQWWECPY-QHCPKHFHSA-N 429.520 5.043 30 20 IKED C[C@H](OC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1ccccc1-c1ccccc1 748489549 PASMJHUUVJBCMQ-IBGZPJMESA-N 433.529 5.349 30 20 IKED N#C[C@@H](NC(=O)/C=C\c1ccc2ccc(Cl)cc2n1)c1cccc(Br)c1 749614375 BDJUQJCWHUHIRQ-OLHLWXQYSA-N 426.701 5.045 30 20 IKED C[C@H](SCc1c(F)c(F)c(F)c(F)c1F)C(=O)Nc1ccccc1C(F)(F)F 750290565 DBZRZSQRQBQHNS-ZETCQYMHSA-N 429.332 5.661 30 20 IKED Cc1ccnc2[nH]c([C@H](C#N)C(=O)/C=C\c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc12 750726214 ZZRVTQPAMYAIPE-PYLYLYNFSA-N 438.331 5.194 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCC(=O)c3cc(Cl)sc3Cl)n2)cc1 756230905 JUKVMUPIPHOPOF-CQSZACIVSA-N 449.384 6.326 30 20 IKED CC(C)(C)OC(=O)N1CCc2cccc(/C=C\C(=O)c3ncc(Br)s3)c21 756844934 AHEXSDOXEFMYJL-FPLPWBNLSA-N 435.343 5.099 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2sc(-c3ccccc3)nc2C(F)F)cc1 761312505 YSZANGBRBNMYIM-HXUWFJFHSA-N 445.494 6.655 30 20 IKED C[C@H](C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl)c1cccc(C(=O)c2ccccc2)c1 764301604 DGMFBQDKJHEECO-AWEZNQCLSA-N 433.851 5.093 30 20 IKED Cc1sc2ncn(N=Cc3ccccc3OC(F)(F)F)c(=O)c2c1-c1ccccc1 767046467 KVVBYKWVZRDLFL-UHFFFAOYSA-N 429.423 5.214 30 20 IKED COc1cccc(Nc2nn(CN3CC=C(c4ccc(C#N)cc4)CC3)c(=S)s2)c1 767988661 YPXVUUCOUBEMLA-UHFFFAOYSA-N 435.578 5.045 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(Br)c(C(F)(F)F)c1 768756609 QJESSIGNRJMILQ-CYBMUJFWSA-N 449.226 5.463 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2sc(-c3ccccc3F)nc2C)ccc1OC 772977912 CWYYYVAPXZBPIB-MAUKXSAKSA-N 439.556 5.798 30 20 IKED C[C@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CCN1C(=O)OC(C)(C)C 773807262 LJZDECDGMNBYPQ-GHTZIAJQSA-N 449.551 5.063 30 20 IKED COc1cc(/C=C/C(=O)c2cnn(C(C)C)c2C)cc(Br)c1OC(F)F 787186393 ACKMQFYEVYIKDI-AATRIKPKSA-N 429.261 5.041 30 20 IKED C#CCOc1ccccc1NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 787300979 AEPZBAFLRDNJLJ-UHFFFAOYSA-N 430.291 5.017 30 20 IKED CCOc1c(Cl)cccc1CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 791789539 ZGQXXDLEMMMXBG-CYBMUJFWSA-N 432.879 5.559 30 20 IKED N#CC[C@@H](CC(=O)OCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1 795980539 DWJWGDUOFHGXDI-UWJYYQICSA-N 445.346 5.288 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(-c2cccc3cccnc23)cc1 796794884 XVWODVJKRPMIHD-HXUWFJFHSA-N 443.865 5.655 30 20 IKED CCN(C(=O)c1ccc(C)c(C#N)c1)[C@H](c1ccc(Br)cc1)c1cccnc1 799337712 NMYMBJQYTPKVOR-JOCHJYFZSA-N 434.337 5.276 30 20 IKED CC(C)(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C1CC1 805904252 YXIPROJQOHXECN-UHFFFAOYSA-N 442.240 5.407 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)cc1 806449764 BBCIOVJZWIATAR-FQEVSTJZSA-N 448.404 5.663 30 20 IKED C[C@H](N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21)c1ccc(C#N)cc1F 810258216 RZHWUXCRTGYYNM-YCRPNKLZSA-N 439.531 5.997 30 20 IKED O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)C(F)(F)c1c(F)cccc1F 813292882 BJOLTKYCPYGVCT-UHFFFAOYSA-N 435.274 5.039 30 20 IKED CCn1cc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)c2ccccc21 915048764 KHDFMUFRENBTBY-UHFFFAOYSA-N 446.363 5.309 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nc2ccccc2n1C(F)F 915353466 NSIVDMZDZYQVAB-JXFKEZNVSA-N 445.473 5.970 30 20 IKED CC(=O)N(c1ccccc1)c1nc(C=NNc2ncc(C(F)(F)F)cc2Cl)cs1 916286944 ZRYJLEQNQOLSKI-UHFFFAOYSA-N 439.850 5.341 30 20 IKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(SC(F)(F)F)cc1 916945203 SCKNHSIRVJBXOC-CQSZACIVSA-N 433.238 5.566 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(C)c([N+](=O)[O-])c2)cs1 917562192 VGMULLRSUFYONS-JXMROGBWSA-N 441.896 5.594 30 20 IKED CCCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1C#N 917703566 OVJJLTMTGBTVGH-QFIPXVFZSA-N 448.592 5.326 30 20 IKED COc1ccc(OCc2ccccn2)c(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 921251435 LHKATFQABCYFJP-UHFFFAOYSA-N 446.385 5.042 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4cncn4c3)CCC2)cc1 1785841892 BWCOOCXTSUBQBJ-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C(C)(C)C)nc3)CCC2)cc1 1786365769 QFQFMQUYKLETPA-UHFFFAOYSA-N 449.595 5.110 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnc(C(C)(C)C)cn3)cc2)CCC1 1788882377 HNRHPCKIOXBEIH-NRFANRHFSA-N 446.595 5.290 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(cnn4C)c3)CCC2)cc1 1789626175 CPESXVYEOFHOKG-UHFFFAOYSA-N 444.579 5.313 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccccc5o4)CCC3)cc2)cc1 1790707862 UCBMCQPYCVGODV-UHFFFAOYSA-N 449.510 5.560 30 20 IKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3c(Cl)cccc3s1)C2 1793052380 KFNCUXOCXWYXJM-BCDXTJNWSA-N 443.012 5.575 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C(C)(C)CC(=C)C)[C@@H]1c1cccnc1 1810488628 GMWKTIAAVZNWNC-VXKWHMMOSA-N 425.617 5.072 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cccnc3s2)n[nH]1 1818573001 NGKQYEAXEGUGPP-HKUYNNGSSA-N 449.580 5.094 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccnc(C(C)(C)C)c2)[nH]n1 1819303783 OZFZQNKEXBDSHO-TZIWHRDSSA-N 449.599 5.177 30 20 IKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1832719527 LNFMPVOXANEQBA-SFHVURJKSA-N 443.802 5.456 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@]2(F)CCCC=C2F)CC1 1832981376 UVCLHVGAGSJVOE-DNRQZRRGSA-N 434.571 5.120 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccc(C(C)(C)C)cc2)c1 11162515 BUAQYJDGIJACEG-UHFFFAOYSA-O 445.652 6.556 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1ccc(C(C)C)cc1 11262952 LHAAEQUYNCWXPR-UHFFFAOYSA-O 444.045 6.426 30 20 IKED C=CCn1c(SCc2nnc(-c3ccco3)o2)nc2scc(-c3ccccc3)c2c1=O 11296847 HLPSFODHTRGXDW-UHFFFAOYSA-N 448.529 5.246 30 20 IKED C=CCn1c(S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 12477327 WFNCKXUGHHRZST-IBGZPJMESA-N 442.947 5.036 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(C[C@H](C)c3ccccc3)o2)c1 28867632 WGKMOLDWITZAMT-IBGZPJMESA-N 434.565 5.072 30 20 IKED COc1ccc(/C=C(/C(=O)C(=O)O)c2ccc3ccccc3n2)cc1OCc1ccccc1 33479909 ZUZACDVIIVZMCP-RCCKNPSSSA-N 439.467 5.017 30 20 IKED CN(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 58779676 VCBKGQVPYKOGOX-UHFFFAOYSA-N 435.936 5.317 30 20 IKED C=CCSc1ccccc1NC(=O)Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O 60979713 BUWLSBHBTTXJHO-UHFFFAOYSA-N 447.585 5.350 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cccnc2Sc2ccc(C)c(C)c2)cc1 105675583 KQHUSNFHRSRFBE-UHFFFAOYSA-N 432.549 5.409 30 20 IKED C#CCCOc1ccc(CN[C@@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)cc1 237479428 LQJRGZGFAGNUEL-FQEVSTJZSA-N 430.523 5.260 30 20 IKED Cc1cc(N[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)n2c(nc3ccccc32)c1C#N 302034145 JIWVHDUEDBEMJA-ZDUSSCGKSA-N 426.446 5.216 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cccc(COc3cccc(F)c3)c2)cc1 303588584 UFTZLGBELMLOIO-UHFFFAOYSA-N 442.412 5.481 30 20 IKED C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1nc(Cc2ccccc2)no1 427221064 XHFSBPFTRHZRPW-QGZVFWFLSA-N 440.528 5.174 30 20 IKED CCNC(=O)Nc1ccc(C)c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 427983537 JTRJGDAIDLMYSK-UHFFFAOYSA-N 444.560 5.553 30 20 IKED COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@@H](CCCC#N)c1ccccc1 431910637 CERVANBYEJKFJC-KXBFYZLASA-N 430.346 5.253 30 20 IKED COc1ccccc1CSc1ccccc1NC(=O)CCc1c(C)nn(CCC#N)c1C 432100901 ZWWPKBPKGUAUFQ-UHFFFAOYSA-N 448.592 5.286 30 20 IKED O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 435615070 HZHASKKPKVAWAF-SECBINFHSA-N 441.372 5.731 30 20 IKED CC[C@H](C#N)Sc1nnc(COc2ccc(OC)cc2)n1-c1cccc(C(F)(F)F)c1 436058798 ZNATWSOZQCWLOR-GOSISDBHSA-N 448.470 5.268 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 436348036 ZNPFDTDCKMXJAC-GHTZIAJQSA-N 449.963 5.566 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)NCc1cc(C#N)ccc1F 438255007 GQOKLGJDCSNDCI-UHFFFAOYSA-N 431.446 5.020 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccnc(Oc3ccccc3Cl)c2)cc1 438368932 DMGXHCWQNLFNHH-UHFFFAOYSA-N 437.887 5.479 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(CCC(F)(F)F)c2)cc1 440927994 VZYGOIMUUSJPIE-UHFFFAOYSA-N 440.490 6.598 30 20 IKED CC(C)N(Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(-c2ccccc2F)s1 441236039 PKUPLHYKABLBOK-UHFFFAOYSA-N 432.524 5.886 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2cncc(-c3ccc(Cl)cc3)c2)c1C#N 445563039 AJLXKZSMDQMRSG-UHFFFAOYSA-N 445.935 5.434 30 20 IKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1cccc(N2CCCC2)c1 446797538 XVZDHTDSQNPSCY-FQEVSTJZSA-N 441.600 5.942 30 20 IKED CCC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)cc1 448413399 JKUMDIKUNFIVET-UHFFFAOYSA-N 428.492 5.010 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)CC[C@@H]2Cc3ccccc3NC2=O)c1 460340222 RXPKWBPROJIEJG-OAQYLSRUSA-N 443.934 5.336 30 20 IKED Cn1cc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c(C2CC2)n1 463965156 PRVAYFIPCAFWOF-UHFFFAOYSA-N 426.398 5.233 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)s2)c(F)c1 464422418 ZLLNZJDNSCYGPW-CQSZACIVSA-N 435.402 5.170 30 20 IKED C=C[C@@H](C)NC(=O)CSc1nnc(COc2ccc(Cl)cc2C)n1C1CCCCC1 465105701 ALGKQLIRHXORBX-MRXNPFEDSA-N 449.020 5.107 30 20 IKED C[C@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)Oc1ccccc1F 466165504 LQZMVBNIPVWGFX-GOSISDBHSA-N 433.483 5.060 30 20 IKED O=C(c1cc(C(F)(F)F)ccc1Br)N(CCC(F)(F)F)CC(F)(F)F 468514981 KCFRKRICSXVSTM-UHFFFAOYSA-N 446.107 5.425 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](Oc4ccncc4)C3)cc2Cl)cc1 469504920 MEGWCPIYTLNSOA-FQEVSTJZSA-N 434.883 5.084 30 20 IKED C[C@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nc(C(F)(F)F)cs1 470580543 BZFNGAZRBCMZCL-ZDUSSCGKSA-N 431.439 5.104 30 20 IKED N#CC(CCN1CCC[C@@H](c2nnc3n2CCCCC3)C1)(c1ccccc1)c1ccccc1 472762791 FADHWDSDCDMBTD-HSZRJFAPSA-N 439.607 5.084 30 20 IKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)C[C@H](CC#N)c1ccccc1)CC2 474413750 PJWOJBPFSNXHHT-AFMDSPMNSA-N 446.572 5.327 30 20 IKED C=C(C)[C@H](NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1ccc(F)c(F)c1 475699472 SMHKYFCHHBDYEP-IWRZYZMASA-N 432.555 5.344 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 479701659 DFNVHVSHVJIWFC-AWEZNQCLSA-N 442.441 5.217 30 20 IKED C=C(C)Cn1c(SCc2nc(-c3c(Cl)cccc3Cl)no2)nnc1-c1ccco1 480338848 SKWOLKLJWUHSPK-UHFFFAOYSA-N 448.335 5.763 30 20 IKED C[C@H](NC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1nc2ccccc2n1C(F)F 482382151 HPLFKZDKDGFNKN-VFZGTOFNSA-N 448.342 5.373 30 20 IKED N#C[C@H](C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1cnc2ccccc2n1 483219218 SIGKSXSGYAVZFS-AWEZNQCLSA-N 432.892 5.087 30 20 IKED C=CCSc1ccccc1C(=O)Nc1ccc(C)c(Oc2ccnc(C(=O)NC)c2)c1 486398922 AVYCAQBXJGFFMU-UHFFFAOYSA-N 433.533 5.072 30 20 IKED CCOc1c(Br)cc(C(=O)N[C@@H](CCCC#N)c2ccccc2)cc1OC 487401993 GPQOPVHVEUXURH-SFHVURJKSA-N 431.330 5.021 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC3(CC2)OCCc2ccsc23)cc1 487453991 GVJFWZTWNNZTIR-UHFFFAOYSA-N 448.519 5.255 30 20 IKED COc1ccc(-c2nc(CSc3nc(C(F)(F)F)ccc3C#N)cs2)cc1OC 488783140 JAQPXEBHBIUJGE-UHFFFAOYSA-N 437.468 5.405 30 20 IKED C=CCc1ccc(OCC(=O)N(c2ccc(F)c(Cl)c2)c2nccs2)c(OC)c1 489005100 QXNHPRXLFATZLP-UHFFFAOYSA-N 432.904 5.416 30 20 IKED C[C@H](c1ccc(OC(F)(F)F)cc1)[S@](=O)Cc1cc(C#N)ccc1Br 491611891 DXVOCFPJQNHDKB-SSINHNECSA-N 432.261 5.229 30 20 IKED Cc1nn(-c2ccc(Br)cc2)cc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 492246794 WHPHPGIOFWMDAY-HNNXBMFYSA-N 429.343 5.013 30 20 IKED Cc1nc(C(F)(F)F)ccc1C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 493343063 BXQCTLGVAKGADI-CYBMUJFWSA-N 428.279 5.044 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)n1 497414575 DPJQZVXYEULFHX-CYBMUJFWSA-N 434.395 5.089 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 501581811 ICODCZYWQNWRQF-NHCUHLMSSA-N 436.474 5.215 30 20 IKED Cc1ccc(-c2[nH]nc(NC(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)c2C)o1 501650673 VVLHOHULTFZCFD-UHFFFAOYSA-N 437.931 5.057 30 20 IKED CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 503059634 ZISGTDAHNSQFSY-QHCPKHFHSA-N 439.899 5.204 30 20 IKED C=CCn1c(S[C@@H](C)c2ccc(C(F)(F)F)cc2)nnc1[C@H]1COc2ccccc2O1 503678493 ZLJHQECZZVYOAF-IFXJQAMLSA-N 447.482 5.849 30 20 IKED CC[C@H]1C[C@]1(NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(C)c1 504859221 SNKKBYKOMFFANI-RXFWQSSRSA-N 430.552 5.025 30 20 IKED N#C[C@@H](NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(Cl)c(Cl)c1 505916637 HCLFGEAOQLXYFR-QGZVFWFLSA-N 449.725 5.401 30 20 IKED N#C[C@@H](NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1)c1cccc(C(F)(F)F)c1 505966859 WLRPXSHFNSUISW-GOSISDBHSA-N 449.885 5.330 30 20 IKED C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1Cl 507167407 LDLHWCBYQKMOOK-OAHLLOKOSA-N 439.918 5.036 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1 507921839 OTEVYEAZPJKCBE-UHFFFAOYSA-N 445.425 5.855 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(OC(C)(C)C)CC1 508478354 QYICKJGQIOBXFJ-IBGZPJMESA-N 434.584 5.541 30 20 IKED Cc1ccc(OC2CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)CC2)cc1C 509632230 IIBGNRNSVUHWKM-UHFFFAOYSA-N 446.576 5.298 30 20 IKED Cc1nnc([C@H]2Cc3ccccc3CN2Cc2cccc(OCc3ccccc3C#N)c2)o1 511119816 AWFKUUVISPMCJT-AREMUKBSSA-N 436.515 5.128 30 20 IKED C=CCN(Cc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1)Cc1ccccc1F 511520827 DTYHYUFNFZVMQI-UHFFFAOYSA-N 429.948 5.808 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 512540600 OOIXQGGGRYRDON-UHFFFAOYSA-N 428.404 5.001 30 20 IKED Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2)n1 515655190 MGAWPTBBJASGSL-UHFFFAOYSA-N 436.515 5.387 30 20 IKED CC(C)c1c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cnn1-c1ccc(Cl)cc1 518151780 XDTQRFOIODTGEX-INIZCTEOSA-N 438.984 6.153 30 20 IKED C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)CCc1nccs1 520763550 BLOKXDMPZFEJQT-UHFFFAOYSA-N 436.610 5.089 30 20 IKED CCCC[C@@H](CC)COCc1cccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1 521325681 YJHQKKWTOCNZNE-OAQYLSRUSA-N 449.599 5.040 30 20 IKED Cc1ccccc1-n1c(C)nnc1SCC(=O)Nc1ccccc1S[C@@H](C)CC#N 521719397 HACINBWWYTWJAI-INIZCTEOSA-N 437.594 5.009 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(C)ccc2SCC(F)(F)F)cc1 522987539 BWQIYFZMMCOXPO-UHFFFAOYSA-N 438.475 5.601 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)CCc3nnc(-c4cc5ccccc5o4)o3)n2)cc1 523184688 RGMNMRGIZVNQHD-UHFFFAOYSA-N 441.472 5.049 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3cc4ccccc4nc3O)cc2Cl)c1 524248980 PKDDRZKWIQOTFS-UHFFFAOYSA-N 443.890 5.226 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)o2)cc1 524385805 UVDDFUMCEDVIMT-QHCPKHFHSA-N 432.476 5.450 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H]3c3ccncc3)cc2Cl)c1 524441353 CUFZQPUWPZZUFE-QFIPXVFZSA-N 432.911 5.555 30 20 IKED C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 525412556 FLZIEGMPAIQKCW-NRFANRHFSA-N 440.547 5.479 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@@H](C4CCOCC4)C3)cc2Cl)c1 533170575 LBYKXXOKAGQHGI-HXUWFJFHSA-N 439.943 5.071 30 20 IKED C=C(C)COc1cc(CNc2ccc(NC(=O)c3ccco3)c(Cl)c2)ccc1OC 533219255 RQPHNMWEFWVKEZ-UHFFFAOYSA-N 426.900 5.761 30 20 IKED Cn1ccnc1[C@H](NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(F)c1 533255798 JOMVMYAIRAONIB-QGZVFWFLSA-N 431.355 5.476 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cc(N4CCCC4=O)ccc3Cl)cc2)c1 535513997 OJXKNNXKSVPSKN-UHFFFAOYSA-N 431.879 5.383 30 20 IKED CCN(CC)C(=O)Nc1ccc([C@@H](C)NCc2ccc(-c3ccccc3C#N)cc2)cc1 540319347 ZEZLBXIXXYJMMM-HXUWFJFHSA-N 426.564 5.950 30 20 IKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 542028178 CKGFCBALCIEBFD-UHFFFAOYSA-N 442.498 5.084 30 20 IKED CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)cc1 548633890 ILEAWLNBFAPVRF-UHFFFAOYSA-N 440.908 5.050 30 20 IKED CCN(CC)Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 554319780 NNMWHIRPTOGBLX-QGZVFWFLSA-N 425.504 5.420 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc2c(c1)nc(Cc1cccs1)n2C 557504610 YHXOBABNCFELHD-MRXNPFEDSA-N 446.601 5.730 30 20 IKED Cc1ccccc1-c1cc(C(=O)N(CCC#N)c2ccc(F)cc2)c2cnn(C(C)C)c2n1 561796176 AUKYPMJVTLDXRP-UHFFFAOYSA-N 441.510 5.687 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2cc(Cc3ccccn3)ccc2C)cc1 569943927 SVECREMSDCZCEQ-UHFFFAOYSA-N 440.547 5.439 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc([C@H](NC(=O)c2ccccc2)C2CC2)no1 574795008 CCHRQBBLEXEUQR-LJQANCHMSA-N 443.425 5.201 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 577419166 PGYXGBRDAOGZCS-CRAIPNDOSA-N 425.558 5.490 30 20 IKED CC(C)OC(=O)C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1 579990973 YUXQWDLSRQPUNH-XLIONFOSSA-N 425.554 5.143 30 20 IKED Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 581340047 BPYZUDKAHCCYFD-CJFMBICVSA-N 442.519 5.343 30 20 IKED O=C(c1csc(-c2c(F)cccc2F)n1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 586803961 IWUVBGUEIBABQO-IUCAKERBSA-N 444.347 5.291 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N(Cc3cccc(F)c3)C[C@H]3CCCO3)cc2)ccn1 589362582 NEQMUXXBPRBOLL-XMMPIXPASA-N 446.482 5.098 30 20 IKED C=C(C)COc1cccc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)c1 589383064 WARRMHZVYIDFQG-UHFFFAOYSA-N 444.457 5.617 30 20 IKED Cc1nc(NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)sc1SCC#N 603775412 BLWVBNHOFFNHND-UHFFFAOYSA-N 429.954 5.552 30 20 IKED O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 605032711 NAXIUCMLGMPXNL-UHFFFAOYSA-N 444.244 5.689 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1ccc(C(F)(F)F)nc1O 605896847 IMMQNWKSSHBCHM-UHFFFAOYSA-N 448.241 5.018 30 20 IKED Cc1cc(C)cc(Oc2ccc(NC(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cc2)c1 608995579 SLOVJYCJISKCBV-UHFFFAOYSA-N 441.535 5.153 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1c(C)nn(CC(C)C)c1C 609060849 FRJCOLHIVUYSII-UHFFFAOYSA-N 430.552 5.096 30 20 IKED COc1ccccc1SC[C@H](C)CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 609147574 KLMGDXURYOQJOF-QGZVFWFLSA-N 448.548 5.304 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCC1(N[C@@H](C)c2ccccc2)CCCC1 609469981 XZSFHEJPFGVITC-PMACEKPBSA-N 436.625 5.723 30 20 IKED CCC(CC)(CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)N[C@H](C)c1ccccc1 609550219 VRCATRQVGNOYQE-HXUWFJFHSA-N 442.563 5.385 30 20 IKED N#Cc1c(NC(=O)CCN2CCS[C@@H](c3ccccc3)C2)sc2c1CCCCC2 609800467 ISTUCUBJSXWASD-OAQYLSRUSA-N 425.623 5.007 30 20 IKED CCc1c(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cnn1CC(C)C 611140718 BIIFGKBVUYVPCH-UHFFFAOYSA-N 431.540 5.391 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C)n1CC(F)(F)F 613404028 IWUZGNULQHXMNY-ZDUSSCGKSA-N 445.388 5.786 30 20 IKED CCOc1cc(-c2ccccc2)sc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 613404378 QDRUCEBIKSRDBZ-HNNXBMFYSA-N 437.471 6.049 30 20 IKED N#Cc1ccc(CNC(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc1Cl 619787713 FBWNAXNBUTXJIT-UHFFFAOYSA-N 427.291 5.161 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC2(CC1)OCc1ccccc12 670197388 KNENQPWSHFQVBU-UHFFFAOYSA-N 437.547 5.095 30 20 IKED CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 670775940 GVNJDOFDQGBXKT-BPLDGKMQSA-N 449.357 5.863 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC[C@H](c2ccc(F)cc2)C1 674861849 LTIIFGLZKULFIU-BFHYXJOUSA-N 426.376 5.234 30 20 IKED COc1ccc(C(C)=NNc2ncnc3scc(-c4ccc(C)cc4)c23)cc1NC(C)=O 726422807 BDATXMFJVYWWFS-UHFFFAOYSA-N 445.548 5.470 30 20 IKED N#CCOc1ccc(CNC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)cc1 727679757 QBTXPNUUNGNCOI-UHFFFAOYSA-N 445.469 5.264 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)ccc1F 731643903 KWESPCUZAOXNOI-KRWDZBQOSA-N 438.286 5.474 30 20 IKED N#CCOc1ccc(CC(=O)O[C@@H](CC(F)(F)F)c2ccc(Br)cc2)cc1 731993912 LCSXEBSMFYMZCI-KRWDZBQOSA-N 442.231 5.131 30 20 IKED CCN(CC)C(=O)Nc1ccc(C(C)=NNc2nc(-c3ccc(Cl)cc3)no2)cc1 732925884 UTFYVHIGCDTYHR-UHFFFAOYSA-N 426.908 5.100 30 20 IKED COc1cc(/C=C2/CCOc3c(Br)cccc3C2=O)ccc1OC(F)F 733748888 MPGWQTFPDZEFEY-XFXZXTDPSA-N 425.225 5.108 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc3ccccc3c2OC(F)F)cs1)C1CC1 734305562 BWQVTLKIDACNDE-YRNVUSSQSA-N 428.460 5.309 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c(Cl)c1 740823849 NCCWSQZCPMYILU-FQEVSTJZSA-N 441.959 5.979 30 20 IKED COCC[C@H](Cc1cccc(Br)c1)C(=O)[C@@H](C#N)c1ccc2ccccc2n1 741429891 WMKIHTQKIGRFBW-QUCCMNQESA-N 437.337 5.069 30 20 IKED CC(C)c1nn(C)c(Cl)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 741547044 NDUSCYIFTXYOCF-UHFFFAOYSA-N 429.307 5.767 30 20 IKED C=CCn1c(SCc2ccc(OC)c(SC(F)(F)F)c2)nnc1-c1ccncc1 741847057 LWMYQVRRCRFFDE-UHFFFAOYSA-N 438.500 5.439 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)cc1C#N 752264505 KNANIICJWBJYJJ-UHFFFAOYSA-N 449.511 5.289 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2cncc(-c3ccc(Cl)cc3)c2)ccc1OC 757656154 NHCFTBNGMSMZNY-NRFANRHFSA-N 435.911 5.022 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCn3ccc4cc(Cl)ccc43)n2)cc1 760972911 ITYIFHDAYDVTSW-FQEVSTJZSA-N 444.947 5.947 30 20 IKED CC(=O)N(c1nc(/C=C2\C(=O)c3cccc4c3[C@@H]2CCC4)cs1)c1ccc(F)cc1F 763291298 VYZZZVUJJCVMKE-HPKGMJOESA-N 436.483 5.806 30 20 IKED C[C@@H](C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(C)(C)C 764755389 VJPGIKZMBNFMKM-LURJTMIESA-N 444.256 5.653 30 20 IKED Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)n2)cc1 764840001 LWAZCAKCFWJKHL-QFIPXVFZSA-N 439.544 5.166 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC(=Cc3ccccc3F)CC2)c1=S 765077267 HWAIUJMLGUDGRU-UHFFFAOYSA-N 435.572 5.328 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 767881712 FSPMHWCGJSRZIM-WMZOPIPTSA-N 447.526 5.385 30 20 IKED N#CCOc1ccc(Cl)cc1CSc1nnc(-c2ccco2)n1Cc1ccco1 768412276 OXBSEAAGXHLZDF-UHFFFAOYSA-N 426.885 5.027 30 20 IKED C#CC[C@@H](NC(=O)N1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1)c1ccccc1 772382850 BIGZJEXNSSTVCM-RBBKRZOGSA-N 445.588 5.472 30 20 IKED N#CC1(c2ccc(COC(=O)c3ccc(Oc4cccc(Cl)c4Cl)nn3)cc2)CC1 777140155 MYRCLLVYQKLZEM-UHFFFAOYSA-N 440.286 5.488 30 20 IKED COc1cc(CNc2cccc(OCC#N)c2)ccc1OCc1cccc(C(F)(F)F)c1 779588566 OEISUXULJSVVIM-UHFFFAOYSA-N 442.437 5.807 30 20 IKED COc1ccc(-c2cc(C(=O)[C@H](C#N)C(=O)Nc3cccc(C)c3)c3ccccc3n2)cc1 780306525 YIRAESFPJKOOHL-QHCPKHFHSA-N 435.483 5.180 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 782552318 GODOGSVMIWSCFL-QGZVFWFLSA-N 428.492 5.676 30 20 IKED COc1ccc(Cn2ccc(NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)n2)cc1 782708541 QFMCEZXNVLYVJL-DEOSSOPVSA-N 437.503 5.239 30 20 IKED Cc1cc(Br)c2oc(C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cc2c1 783068516 YSZTXGGWMOWIMY-OAHLLOKOSA-N 435.277 5.499 30 20 IKED C[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1csc2ccccc12 787483304 LSWIZYSSFXCJRX-INIZCTEOSA-N 432.549 5.367 30 20 IKED N#CCCn1cc(/C=C\C(=O)c2ccc(Oc3ccccc3)c(F)c2)c(-c2ccncc2)n1 788355649 OKFGSXVGESFWEF-CLFYSBASSA-N 438.462 5.686 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=S)NCCc1ccc(F)cc1 789229908 BBEDRQVXXZQTSL-UHFFFAOYSA-N 427.492 5.379 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2Cc3cc(Br)ccc3O2)cc1 791508630 DVIQQHPLJCFPPZ-UNMCSNQZSA-N 433.305 5.047 30 20 IKED N#Cc1cc(C(=O)OCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)ccc1F 792307632 ZLWIRXPESPLXKS-UHFFFAOYSA-N 438.867 5.337 30 20 IKED Cc1ccc(-c2cccnc2)cc1NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 797370829 CAYFUCXBQIQYDW-VWLOTQADSA-N 446.510 5.290 30 20 IKED CC(C)(C)c1cnc(CCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)o1 805854938 ADGNRSHJCXYBQI-SFHVURJKSA-N 431.492 5.045 30 20 IKED CC(C)(C)OC(=O)N1Cc2ccc(CNCc3ccc(C#N)cc3C(F)(F)F)cc2C1 810153961 HSHSKISBJMARAC-UHFFFAOYSA-N 431.458 5.118 30 20 IKED C#C[C@@H](NC(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1)c1ccc(F)cc1 812926407 FELHMATTYCLTMY-JOCHJYFZSA-N 435.886 5.252 30 20 IKED C[C@@H](OC(=O)C1(Cc2ccc(F)cc2Br)CCOCC1)c1ccc(C#N)cc1 814594763 ALQRWOYZFCALKG-OAHLLOKOSA-N 446.316 5.104 30 20 IKED N#CC1(CC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccc(OCc3ccccc3)c2)CC1 815873122 XEFCEMOYJRBUPT-AREMUKBSSA-N 440.543 5.022 30 20 IKED C=CCc1ccc(OC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c(OC)c1 875121494 ZBCSQARNYDWSOC-QFIPXVFZSA-N 449.934 5.544 30 20 IKED CCOC(=O)Nc1ccc(N=Cc2cc(Br)cc(Br)c2O)cc1 915980004 WEMCTLQCDQNMBK-UHFFFAOYSA-N 442.107 5.236 30 20 IKED COc1cc([C@H](C)/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)ccc1OCc1ccncc1 915981734 WSWWPXNUGYETQZ-DSKMXOTJSA-N 441.871 5.117 30 20 IKED N#C[C@@H](C(=O)CCc1ccccc1Br)C(=O)Nc1ccc(Cl)cc1Cl 916930881 HKTIPHCIRIHUAU-ZDUSSCGKSA-N 440.124 5.036 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(-n4nc(C)cc4C)cc3)n2)cc1 916974944 SENXIMUPYLRRTP-JOCHJYFZSA-N 426.545 5.340 30 20 IKED Cc1ccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c(Br)c1 917044756 VIPZROUGIZNKMC-CHWSQXEVSA-N 448.267 5.146 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)cs1 917558545 WXHGRDVAHFUHBV-WDZFZDKYSA-N 427.869 5.285 30 20 IKED N#C[C@H](C(=O)CCCOc1ccccc1F)C(=O)Nc1ccccc1Oc1ccccc1 918488442 YXTRMZBPFXMBMI-LJQANCHMSA-N 432.451 5.125 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)s2)cc1 920102132 QBILYMTZWKRVDR-GOSISDBHSA-N 429.501 5.122 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCSc3ccc(Cl)cc3)n2)cc1 920139652 WQQOWZCGJMZFRL-SFHVURJKSA-N 428.966 5.831 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ccccc2[N+](=O)[O-])cs1 920357946 YZJYBMDQBUIWIC-UHFFFAOYSA-N 449.414 5.201 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3ncccc3C)CCC2)cc1 1789453077 JGWDAZKMHQZCKG-QHCPKHFHSA-N 431.580 5.225 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccccc4n3)CCC2)cc1 1789454297 UXJNIKCUOHFIFF-OAQYLSRUSA-N 440.547 5.146 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3csc(C(F)(F)F)n3)CCC2)cc1 1791249111 KPFLTWLDSPJQOL-ZDUSSCGKSA-N 437.487 5.122 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1)C(F)(F)F 1792126389 FXAJSLYKKDQYMR-HNNXBMFYSA-N 441.453 5.180 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2CCC[C@@H]4CCCC[C@H]42)C3)c1 1803681795 YLXLMQJHNQDXPI-RGFGEPETSA-N 447.623 5.172 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2C2CC2)[C@@H]1c1cccnc1 1813757276 FGCZQVXPWGRRIW-RDGATRHJSA-N 445.607 5.271 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3occc3c2)n[nH]1 1818703055 RNCSNXCCOGREJA-OAQYLSRUSA-N 432.524 5.230 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(C)(C)C)cc2)n[nH]1 1821149558 VSLRBBCGUKROSI-LAUBAEHRSA-N 438.572 5.105 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3ccoc3c2)n[nH]1 1821454628 XZGCGJCAMBIJRA-OAQYLSRUSA-N 432.524 5.230 30 20 IKED CC(C)C1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)CCC1 1823216161 PJEJJQMXDRYQEP-PGRDOPGGSA-N 447.583 5.169 30 20 IKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)c(Cl)c2)CC1)C(F)(F)F 1823910515 MWCZFRPPFSIQMM-IBGZPJMESA-N 442.909 5.000 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(F)cc2F)CC1 1824143671 RAGVMXCHVPJDCT-HSZRJFAPSA-N 448.529 5.106 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC)cc2C)CC1 1829068892 VWEGKYCHURAYBL-XMMPIXPASA-N 440.628 5.229 30 20 IKED Cc1cccc(Cl)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 1830595718 KMBLHCSIJTXZJT-HSZRJFAPSA-N 449.982 5.067 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)c2cccs2)CC1 1832139604 HJMIQXZZDWVONR-UGKGYDQZSA-N 428.642 5.240 30 20 IKED C=CCn1c(SCc2nnsc2Cl)nc2sc(-c3ccccc3)c(C)c2c1=O 20976187 YGYGFYMUDRNFJJ-UHFFFAOYSA-N 447.010 5.417 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(CC)cc2)[n+]2ccc(N(C)C)cc2)cc1 22731012 QZSPUQTZMAYSMY-UHFFFAOYSA-O 448.612 5.052 30 20 IKED C=CCn1c(-c2sc(NC(=O)c3ccc(SC(F)F)cc3)nc2C)n[nH]c1=S 25515462 WKLTVDFHHYZKMG-UHFFFAOYSA-N 439.538 5.126 30 20 IKED N#Cc1c(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)sc2c1CCC2 60526448 IRGAJMIEJKELJF-UHFFFAOYSA-N 444.379 5.176 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccc(N2CCCCC2)nc1 107722229 UJEXIJLXEKLRMV-UHFFFAOYSA-N 428.561 5.025 30 20 IKED COc1cccc([C@@H](CNc2nc(C)cc(C)c2C#N)c2c[nH]c3ccccc23)c1OC 247935310 RZXFGUOXHTXKGV-JOCHJYFZSA-N 426.520 5.313 30 20 IKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1 252595491 CAUZIJFGNYRKKO-SFHVURJKSA-N 447.482 5.160 30 20 IKED Cc1cc2nnc(SCC(=O)Nc3ccccc3SC[C@H](C)C#N)n2c2ccccc12 303266518 GIHKGFGHOGNLQL-OAHLLOKOSA-N 447.589 5.174 30 20 IKED Cc1nc([C@@H]2CCCOC2)sc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 429703234 ZOLQYPMLIUOACW-OLZOCXBDSA-N 445.516 5.237 30 20 IKED C[C@@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1cccc(OCc2ccccn2)c1 431814911 PYHGUBKZCLBEEC-CJFMBICVSA-N 428.536 5.456 30 20 IKED CC(C)Oc1ccc2ccccc2c1CNCc1cn(CCC#N)nc1-c1ccncc1 433339153 KBVDVTFGQJGZOM-UHFFFAOYSA-N 425.536 5.089 30 20 IKED O=C(N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)N1CC[C@@H](CC(F)(F)F)C1 434180715 RRYWQJWAMXGNBM-CABZTGNLSA-N 438.290 5.173 30 20 IKED C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 436342700 VFMBERSTEGJBKD-OXJNMPFZSA-N 447.457 5.060 30 20 IKED C[C@]1(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CCCN1C(=O)c1ccccc1 437458123 CLXPMTZZKSXVFG-AREMUKBSSA-N 443.478 5.123 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)c(C)c1 438845098 ZEYQWBTWSHVOFC-NVXWUHKLSA-N 441.622 5.715 30 20 IKED CCCc1c(NC(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)cnn1-c1cccc(C#N)c1 439692355 PDJDLRNZSJVJEA-SJORKVTESA-N 433.478 5.187 30 20 IKED N#CC1CCC(CNC(=O)NCc2ccccc2-c2ccc(CN3CCCC3)cc2)CC1 441023269 NVSQVPSDHRENHB-UHFFFAOYSA-N 430.596 5.079 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCCC[C@H]1c1ccc(F)cc1F 442311901 CHAHLJLMCKDZSQ-QRWLVFNGSA-N 443.519 5.051 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)c3[nH]ccc3-c3c(Cl)cccc3Cl)CCO2)c1 442637940 MQNRJPUDBBWRMK-LJQANCHMSA-N 426.303 5.074 30 20 IKED N#Cc1ccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)cc1C(F)(F)F 443885297 ZGYFQMHLLOHMSJ-UHFFFAOYSA-N 441.747 5.001 30 20 IKED N#CCCCn1cc(C(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)c2ccccc21 444262338 AMZPNQVDFKYNNN-UHFFFAOYSA-N 437.465 5.893 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@H](C)Sc2ccccc2Cl)c1C#N 445563408 KBSJLYABADCRDJ-ZDUSSCGKSA-N 428.970 5.239 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2cc3c(s2)-c2ccccc2OC3)c1C#N 445569277 SUBUEVQFXGEROL-UHFFFAOYSA-N 444.541 5.339 30 20 IKED Cc1c(S(=O)(=O)Nc2ccccc2S[C@@H](C)CC#N)cnn1-c1ccc(Cl)cc1 460829548 MXIASUDGHCVNLB-AWEZNQCLSA-N 446.985 5.029 30 20 IKED C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H]1c1ccc(Br)c(C)c1 460958285 KDZYWTKVUUBKEX-RBUKOAKNSA-N 431.378 5.118 30 20 IKED CCCNc1ccc(C#N)cc1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 461696541 CFBHWMYAGFFOAO-MRXNPFEDSA-N 444.495 5.109 30 20 IKED C=CCOc1ccc(CN(C(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)C(C)(C)C)cc1 467875836 NGRYVUMNKGLBQC-UHFFFAOYSA-N 436.596 5.307 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3cc4c(s3)-c3ccccc3OC4)ccc21 469953958 SGSPCMFQVICNMR-UHFFFAOYSA-N 443.528 5.143 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(OC4CCC4)cc3Cl)ccc21 469977014 YVANGPZKWNFDTJ-UHFFFAOYSA-N 437.927 5.107 30 20 IKED C=CCC[C@H](NC(=O)CNC(=O)c1c(F)cccc1Cl)c1ccc(C(F)(F)F)cc1 470383273 OJAKXGKFBUKTRH-KRWDZBQOSA-N 442.840 5.051 30 20 IKED C[C@@H]1CN(C(=O)C[C@H](CC#N)c2ccccc2)c2ccccc2N(Cc2ccccc2)C1=O 476262892 RECNUQHLJPJBBB-QPPBQGQZSA-N 437.543 5.290 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2CC)nnc1-c1cccc(Cl)c1 481367481 IGTYNKQLMCKFCV-OAHLLOKOSA-N 426.973 5.466 30 20 IKED CCc1c(NC(=O)c2ccc(COc3ccccc3C#N)o2)cnn1-c1ccccc1Cl 482741958 NVOMRVPHJZBEIA-UHFFFAOYSA-N 446.894 5.384 30 20 IKED CCS[C@H](C)c1noc(CN(C)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)n1 482780244 ZZRDAXXUAHXTQB-MRXNPFEDSA-N 436.537 5.014 30 20 IKED COc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1N1CCCCC1=O 482872886 XBZMVJZYAIFEON-UHFFFAOYSA-N 441.487 5.128 30 20 IKED CC(C)n1cc2c(n1)C[C@H](NC(=O)Nc1ccc(Oc3ccc(C#N)cc3)c(Cl)c1)CC2 482993902 ZACUXJZKFRYCHL-LJQANCHMSA-N 449.942 5.460 30 20 IKED CC(C)CN(C(=O)NC1CCC(Oc2ccccc2C#N)CC1)[C@H]1CCCc2cccnc21 483012227 KWZVTXPCUSADLG-VHYCJAOWSA-N 446.595 5.388 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@@H](C#N)c3cnc4ccccc4n3)c12 483222156 TVMAIGAEWGZDQB-KRWDZBQOSA-N 426.524 5.051 30 20 IKED N#CC[C@H](CC(=O)Nc1c(Br)cc(F)cc1Br)c1ccccc1 484054010 RJJSFAQDCIJLDR-GFCCVEGCSA-N 440.110 5.377 30 20 IKED CN(C)c1cc(Br)cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c1 496198188 SAPQEGRRPRXHEM-QGZVFWFLSA-N 426.339 5.129 30 20 IKED CC(C)N(CCCC1(C#N)CCOCC1)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F 499524806 WBJKTIYIQVDZBH-UHFFFAOYSA-N 445.913 5.108 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1nc(-c2ccccc2)cs1 499602721 OXUJCMSETLVZJO-OAHLLOKOSA-N 440.406 5.369 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(NC(N)=O)cc1 502501636 MDRUBCLWUKVZHN-BTYIYWSLSA-N 447.926 5.369 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(CCC(F)(F)F)cc3)s2)cc1 503347492 QYKWPCYOETVYIC-UHFFFAOYSA-N 448.495 5.449 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(NC(=O)c4cccnc4)c3)n2)cc1 503506905 ROQAODNBUFWWNS-NRFANRHFSA-N 438.512 5.256 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)s2)cc1 505108541 FPFYUZXGZRKJPA-ZHRRBRCNSA-N 449.576 5.280 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2Cc2cccc(F)c2)cc1 508252047 MYYRTMJEJFZIIM-QFIPXVFZSA-N 445.494 5.737 30 20 IKED COCCSc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 509247062 OEAMRDZFWOQLDR-GOSISDBHSA-N 447.560 5.972 30 20 IKED CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccccc1S[C@H](C)CC#N 509474479 ZJSSIQRYWJVPBC-FZKQIMNGSA-N 436.002 5.189 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1 510316949 VPBDXTHCCHJCDT-UHFFFAOYSA-N 429.863 5.839 30 20 IKED CCCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 511847141 XIOWFEITMVRMIU-UHFFFAOYSA-N 427.504 5.475 30 20 IKED Cc1nc(-c2ccc(CNC(=O)c3cccc(COc4ccccc4C#N)c3)o2)cs1 513136288 VNFHKDAYNWPICC-UHFFFAOYSA-N 429.501 5.092 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 516748329 DEBTXJPPTFLVKN-MRXNPFEDSA-N 449.457 5.095 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ccccc4SCCC#N)cc3)o2)c1 517438186 RHILYNWRLJIWKM-UHFFFAOYSA-N 440.528 5.970 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(-c4ccccc4Cl)[nH]n3)n2)cc1 517800745 GBAWIZLWGWWKMO-MRXNPFEDSA-N 434.908 5.352 30 20 IKED CC(C)(CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(Cl)cc1 517832613 FPDXRSCXQOELAL-UHFFFAOYSA-N 447.922 5.036 30 20 IKED C[C@H]1CN(c2ccccc2NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@@H](C)O1 518027734 UVSDGGQHUMHUKR-HDICACEKSA-N 445.494 5.356 30 20 IKED Cc1cccc(-c2noc(CSCC(=O)Nc3ccccc3S[C@H](C)CC#N)n2)c1 518136931 JPUPNBDVHBIKAO-MRXNPFEDSA-N 438.578 5.311 30 20 IKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 520924501 ZJNJZOSQBBGMQU-IAGOWNOFSA-N 427.595 5.088 30 20 IKED C=CCc1cc(CNC(=O)N[C@@H](C)c2oc3ccc(OC)cc3c2C)cc(OC)c1OC 521237874 JOYAGTKPBCMOHA-INIZCTEOSA-N 438.524 5.056 30 20 IKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CSCc2cc(-c3cccs3)on2)cc1 521292574 UKCRRAOQZBSTOC-GOSISDBHSA-N 425.579 5.315 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1 524383763 UXQZYENWVKNBDS-UHFFFAOYSA-N 449.335 5.618 30 20 IKED CSc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)ccc1NC(C)=O 524461438 ZEULFACUPZDQTA-UHFFFAOYSA-N 449.507 5.209 30 20 IKED Cc1ccc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)cc1NC(=O)Nc1ccccc1 524942717 NUJWRYWIYOCMER-UHFFFAOYSA-N 426.520 5.814 30 20 IKED COc1ccc([C@H](NC(=O)c2ccc(CC#N)cc2)c2ccccc2)cc1Br 533896396 PPIJAXSEGSFHRE-JOCHJYFZSA-N 435.321 5.043 30 20 IKED CC[C@H](C)n1ncc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1C1CC1 534987008 RBGAYQPPYMZEGG-SFHVURJKSA-N 445.542 5.977 30 20 IKED C[C@H](NC(=O)c1ccc(CC#N)cc1)c1nc(-c2ccc(Br)cc2)cs1 535423007 NXDGKWWYJZMBMK-ZDUSSCGKSA-N 426.339 5.130 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1Cl 536383568 RFQSHPSYACZPMU-UHFFFAOYSA-N 445.906 5.492 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)C(F)(F)F 537452261 PSWQRLPNWVIAEC-OAQYLSRUSA-N 438.453 5.078 30 20 IKED Cn1ccnc1Sc1ncc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)cc1Cl 538072967 BYMAZIZEFWOWDJ-UHFFFAOYSA-N 431.974 5.103 30 20 IKED CC(C)Sc1ccc([C@@H](C)NCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 538203440 MDLYLKIWYXVSIW-QZTJIDSGSA-N 427.639 5.871 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nn1-c1cccc(Cl)c1 538578161 GZLXKZKYAOHNDW-IBGZPJMESA-N 443.919 5.319 30 20 IKED CCN(Cc1cccc(OCCCC#N)c1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 538729328 HKRZVLKIWICNQN-UHFFFAOYSA-N 435.616 5.082 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C(=O)OC)c1ccccc1C(F)(F)F 541172847 HXCZJMZVFRACIG-LJQANCHMSA-N 447.482 5.080 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1 542420566 FFBZTBRPMWJTPV-UHFFFAOYSA-N 447.457 5.014 30 20 IKED Cc1c(NC(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)cnn1C 547532586 QBIJKIAVVAQUIL-GFCCVEGCSA-N 448.289 5.191 30 20 IKED Cc1cc(C#N)cnc1C(=O)Nc1nc(C2CC2)c(Cc2cccc(C(F)(F)F)c2)s1 555733009 UJSKKKOVKMPTBM-UHFFFAOYSA-N 442.466 5.458 30 20 IKED N#Cc1cc(C(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)ccc1F 556401403 ZRXNXCUJABCHSM-UHFFFAOYSA-N 432.430 5.073 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 563327740 CLHIJZNNBRFNAF-ZEQRLZLVSA-N 431.536 5.011 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@H]3CCO[C@H]3c3ccc(Cl)cc3)cc2)ccn1 568144741 YSVPHVMFASXNSY-VXKWHMMOSA-N 434.883 5.051 30 20 IKED Cc1cccc(CN(Cc2ccccn2)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1 569861119 MLSXBZFTANPXDR-UHFFFAOYSA-N 449.514 5.683 30 20 IKED C=CCC[C@H](NC(=O)NC1CCN(CC(F)(F)F)CC1)c1ccc(C(F)(F)F)cc1 572161062 VESPJAROXFCCSG-KRWDZBQOSA-N 437.428 5.039 30 20 IKED C=CCn1c(CSc2ccccc2OC)nnc1N1CCc2sccc2[C@H]1CC 572923155 NVIMHNRUHKDSQW-QGZVFWFLSA-N 426.611 5.340 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)C2CCC(OC[C@@H]3CCCO3)CC2)cc1 579263175 LXSCVBNHXCKWLS-MTQWGCILSA-N 448.563 5.025 30 20 IKED C=CCN(C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 584193459 PRWNYUKBSYCXHW-ZIAGYGMSSA-N 425.432 5.216 30 20 IKED O=C(N[C@H](c1ccc(F)cc1)C1CCC1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 591032583 CVICTXJEDTXFFB-FMKPAKJESA-N 426.376 5.439 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)CCN3CCC[C@@H](c4nc5ccccc5o4)C3)c2C#N)C1 603629539 AXWKDZYDXHUVOI-IAGOWNOFSA-N 448.592 5.094 30 20 IKED C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1cccc(C(F)(F)F)c1 603649710 FUTZNYBPVFYZGH-ZDUSSCGKSA-N 430.455 5.507 30 20 IKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1ccccc1Sc1ccccc1C#N 604519991 XMFCKJIPQODWKC-NVQXNPDNSA-N 442.584 5.949 30 20 IKED Cc1cc(F)ccc1-c1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1F 605075104 PMHDTIQIBQTSCL-GOSISDBHSA-N 437.396 6.175 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(NC(=O)c4cccnc4)c3)cc2)c1 609064053 ROTRFPWRSLRNOZ-UHFFFAOYSA-N 448.482 5.037 30 20 IKED CCc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cnn1-c1ccccn1 609164651 SZJOOXWPQXALQA-HXUWFJFHSA-N 441.922 5.391 30 20 IKED C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccccc1Cc1ccccc1 609387091 KRPZJEAILYKSSL-WOJBJXKFSA-N 429.589 5.968 30 20 IKED Cc1c(Cl)cccc1NC(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 609387302 WJUVKTZVENROKP-ZDUSSCGKSA-N 441.906 6.112 30 20 IKED Cc1ccc(CN(Cc2ccco2)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)s1 609502486 XDHOXWYEGKXWIX-UHFFFAOYSA-N 429.501 5.551 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N[C@@H](c3ccccc3)c3nccs3)c2)cc1 609644105 VRDQIZYZMDYBCG-QHCPKHFHSA-N 425.513 5.113 30 20 IKED CCO[C@H](C)c1nc(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cs1 609754791 FONZPEWNOZGTMC-QGZVFWFLSA-N 435.549 5.181 30 20 IKED C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 610015961 WWRSUGCKHVUYRF-QMHKHESXSA-N 433.914 6.286 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC1(c2cccc(Br)c2)CC1 610142693 KGODKOOKRGTVNM-AWEZNQCLSA-N 430.371 5.512 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 610223424 FGQVEVNFEWMQDQ-XZOQPEGZSA-N 442.490 5.114 30 20 IKED CO[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CC1 611944478 SKCUYYYGSITFJD-SFHVURJKSA-N 433.430 5.402 30 20 IKED N#C[C@H](C(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1)c1ccc2ccccc2n1 619753002 RLVAGCDTRCPUGH-QHCPKHFHSA-N 432.458 5.717 30 20 IKED O=C(N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 672816289 DGJPQAZOQFZDBO-VXGBXAGGSA-N 437.277 5.075 30 20 IKED Cc1cc(C(F)(F)F)ccc1CNC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 682418598 MCYKASLNBFRPME-CHWSQXEVSA-N 436.318 5.286 30 20 IKED N#C[C@@H]1C(CNC2(c3ccc(Cl)cc3)CCCCC2)=CC(=O)n2c1nc1ccccc12 726789634 QXBROIQORMWFQX-HXUWFJFHSA-N 430.939 5.326 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)O[C@@H](c3ccncc3)c3ccc(F)cc3)o2)cc1 728413354 HOINFBCBFQCYBU-XMMPIXPASA-N 428.419 5.211 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(NC(=S)Nc3ccc(C#N)c(Cl)c3)ccc21 729162653 OQXJWWPVRDXKJT-UHFFFAOYSA-N 442.972 5.708 30 20 IKED CN(C(=O)c1ccco1)c1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 731000523 SMTORQPFRJQBBB-HSZRJFAPSA-N 435.483 5.464 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(CCc2cccs2)C(=O)N[C@H]1c1cscn1 731428686 ABHZVSGZSZOBBO-IBGZPJMESA-N 443.981 5.167 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 732593293 JUKRLHAZOKMHSF-SGNDLWITSA-N 444.918 5.370 30 20 IKED C#CCN(Cc1ncc(-c2cccs2)o1)[C@H]1CCOc2ccc(Br)cc21 733195212 HDAGIYKTBICCGI-INIZCTEOSA-N 429.339 5.125 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(-c3nc4ccccc4s3)o2)ccc1OC 733277852 LWWHZUQTVVJESD-MRXNPFEDSA-N 447.516 5.176 30 20 IKED O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(N2CCC(O)CC2)cc1 734234691 BSYFPBPSWADGIH-PKNBQFBNSA-N 434.517 5.181 30 20 IKED CCOc1ccc(-c2nc(CC(=O)OCc3cc(Cl)ccc3OCC#N)cs2)cc1 735341686 ZPPRUSXSGNYXHL-UHFFFAOYSA-N 442.924 5.050 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740453571 JHMBERIYFZJMBG-MRXNPFEDSA-N 432.574 6.003 30 20 IKED N#CCSc1ccccc1C(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 741713011 HWMNMHLSCGJJKX-UHFFFAOYSA-N 435.376 5.540 30 20 IKED CC(CCCOc1ccccc1C(N)=O)=NNc1nc2cc(C(F)(F)F)ccc2s1 743444593 QHJVXNBTEZPPOG-UHFFFAOYSA-N 436.459 5.061 30 20 IKED CCc1ccc(-c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)o2)cc1 744027283 OUTAXKFRIKHJBU-GOSISDBHSA-N 440.471 5.785 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 744028723 LSCWKCPUZNMIJS-VAMGGRTRSA-N 429.347 5.569 30 20 IKED Cc1ccc(-c2cc(C(=O)OCc3nnc(-c4cccc(C#N)c4)o3)c3ccccc3n2)cc1 744466646 DQVHWOIPZOVLRT-UHFFFAOYSA-N 446.466 5.489 30 20 IKED O=C(/C=C\c1csc(-c2cccs2)n1)c1ccc(S(=O)(=O)C2CCCC2)cc1 749005023 HOXJCZRMUBEQNQ-XFXZXTDPSA-N 429.588 5.484 30 20 IKED CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(C#N)s2)NC(=S)N1c1ccccc1 749015570 VBFKNJSOABACOA-NRFANRHFSA-N 448.548 5.107 30 20 IKED COc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1F 751835874 VRUYYPCYRGQMSW-ZDUSSCGKSA-N 444.434 5.075 30 20 IKED C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H](O)c1c(Cl)cccc1Cl 752680319 WBONJWLMMVECRT-NQCMUKECSA-N 438.380 5.631 30 20 IKED Oc1c(Br)cc(Br)cc1C=NOc1ccccc1C(F)(F)F 754709101 JPJYCNGTFUOSCC-UHFFFAOYSA-N 439.025 5.349 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NOCc2ccc(C(F)(F)F)cc2)cc1 755755993 KBJPPGLXZDUPOW-OAQYLSRUSA-N 425.410 5.614 30 20 IKED CN(Cc1cccc(OC(F)(F)F)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 760010856 ZWLRIFQWCFCUKV-JOCHJYFZSA-N 439.437 5.905 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)CCCn2ccc3cc(Cl)ccc32)ccc1OC 760388378 ZQZMBPNSHWIFRK-HXUWFJFHSA-N 439.943 5.081 30 20 IKED COC(=O)C1C/C(=C/c2cncc3ccccc23)C(=O)/C(=C\c2cncc3ccccc23)C1 761485743 IJZMBNCOZYVAFO-FDYZEBBJSA-N 434.495 5.402 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(O)(c2ccccc2Cl)CC1 765282885 LREUIHSMBSLTBA-INIZCTEOSA-N 429.973 5.250 30 20 IKED CC1(C)CCCN(Cn2nc(-c3ccc(Cl)c(Cl)c3)c3ccccc3c2=O)[C@H]1C#N 766114054 NMXGXKDAPCVPRE-FQEVSTJZSA-N 441.362 5.342 30 20 IKED O=C(CNc1ccc(OCC(F)F)c(C(F)(F)F)c1)Nc1ccccc1C(F)(F)F 766774787 LUHHAJUDPXHUOI-UHFFFAOYSA-N 442.306 5.419 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 767324338 NHHVHLSLKFUVJG-UYAOXDASSA-N 431.458 5.085 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 767885303 YPHCKYJKSCXOMJ-SJLPKXTDSA-N 432.549 5.028 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CN(Cc1ccccc1)c1ccccc1 772643736 DZJBMEOFZSXNLB-RUZDIDTESA-N 439.559 5.166 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1sc(C2CCCCC2)nc1C 775228391 TZZHCLNIMLEERP-OAHLLOKOSA-N 445.972 5.431 30 20 IKED C[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1ccccc1Oc1ccccc1 775332586 PQJNCJUCCXDIOJ-PGRDOPGGSA-N 434.499 5.367 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)c3ccc(C4(C#N)CC4)cc3)cc2C(F)(F)F)C[C@@H](C)O1 776890686 SYBNPLVPGTTYGG-IYBDPMFKSA-N 443.469 5.126 30 20 IKED C=CCC[C@H](C(=O)O[C@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C)c1ccccc1 778551797 JGTJNHKSUWJJSP-OFNKIYASSA-N 431.536 5.109 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)ccc1OC 779102184 RQRMYLVAFJAJQO-DHLKQENFSA-N 431.492 5.164 30 20 IKED N#CCOc1ccc(CC(=O)Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)cc1 781067526 LUTCCKKLYDSXEK-UHFFFAOYSA-N 449.919 5.826 30 20 IKED N#Cc1ccc(CNC(=O)Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)nc1 782082856 NGLDWWWAHSLWGP-UHFFFAOYSA-N 435.896 5.330 30 20 IKED C[C@H](NC(=O)Nc1ccc(CN2CCOC2=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 782559772 VFJLNSJFEJXNOU-SFHVURJKSA-N 440.503 5.060 30 20 IKED C=CCn1c(C2CC2)nn(CN2CCC[C@@H]2c2ccc(Br)s2)c1=S 784030999 OAMIGSWROFLEQO-CYBMUJFWSA-N 425.421 5.096 30 20 IKED N#Cc1ccc(COC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)c(Cl)c1 784231965 MBHCKJLREJREAN-UHFFFAOYSA-N 431.250 5.011 30 20 IKED CC(C)C(C)(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 784541279 KHFVWCYKWXRCOG-UHFFFAOYSA-N 444.256 5.653 30 20 IKED N#C[C@H](C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1nc2ccccc2o1 786935210 NNHAUCZBMZVJHX-CQSZACIVSA-N 441.274 5.384 30 20 IKED COc1ccc(/C=C/C(=O)c2cnn(C(C)C)c2C)cc1OCc1ccc([N+](=O)[O-])cc1 787186868 OZQFZFJYBQJPHZ-YRNVUSSQSA-N 435.480 5.164 30 20 IKED O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1cccc(C[S@](=O)C2CCCCC2)c1 790651415 PERGMPAILIQHKN-PMERELPUSA-N 433.495 5.277 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc2nc(-c3ccccc3)oc2c1 796630770 QRBROZDJMRTILC-MRXNPFEDSA-N 433.826 5.248 30 20 IKED C#CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C(C)C)cc1 799215396 MWVNYMPDHAAYBH-QFIPXVFZSA-N 433.577 5.020 30 20 IKED N#Cc1cnc2c(Br)cccc2c1N1CCC(O)(c2ccccc2Cl)CC1 799322112 BZYLZIOAVYHXHT-UHFFFAOYSA-N 442.744 5.010 30 20 IKED C#C[C@@H](NC(=O)c1ccccc1SCc1c(C)noc1C)c1ccc(Cl)cc1F 804420698 DGYSVHNEXDBOMR-HXUWFJFHSA-N 428.916 5.481 30 20 IKED CNC(=O)C[C@H]1SC(=Nc2ccc(C(C)C)cc2)N([C@H](c2ccccc2)C2CC2)C1=O 914542664 HKDBBYDAOKDZQR-FYYLOGMGSA-N 435.593 5.029 30 20 IKED N#C[C@@H](C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1 915098605 YSSNLTVBKNLYQS-SUMWQHHRSA-N 444.343 5.084 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1nc(-c2ccccc2)cs1 915102526 WEZHPNWGWZRNKA-QUCCMNQESA-N 449.963 5.192 30 20 IKED Cc1cc(C)c(NC(=O)CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(C)c1 915352483 IUPZZBHAVJDYJR-QHCPKHFHSA-N 426.520 5.028 30 20 IKED CCOc1cc(/C=C/C(=O)c2cc(F)ccc2F)ccc1OCC(=O)N(C(C)C)C(C)C 916134523 LKUSCTFSDYOFCI-YRNVUSSQSA-N 445.506 5.284 30 20 IKED Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2cccc(OCC#N)c2)c1 916411166 RSZHZRLNJJFRBD-UHFFFAOYSA-N 426.451 5.142 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2sc(C)nc2-c2ccc(C)cc2)cc1 916914343 KMXNGVGVIKISER-QFIPXVFZSA-N 445.588 5.660 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccc(C)cc3)n2)cc1 916950500 UHLIXTDGEOGJJK-VGOFRKELSA-N 431.561 5.522 30 20 IKED COc1ccccc1CCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997598 XJSJBBVAQFUBGX-MRXNPFEDSA-N 431.344 5.935 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(Cl)c(Cl)[nH]3)s2)c(C(F)(F)F)c1 918630846 BFBJOEXJGSOBTI-UHFFFAOYSA-N 445.253 5.512 30 20 IKED Cc1nn(C)c2nc(Cl)c(C=NNc3ncnc4sc(-c5ccccc5)cc34)cc12 920362465 DBRBUINKYWPULW-UHFFFAOYSA-N 433.928 5.048 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc4nc(C)ccc4c3)CCC2)cc1 1786679026 VAJUKJLKJMLRBU-UHFFFAOYSA-N 445.588 5.210 30 20 IKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)c(C)o1 1787345194 UUSQZZZAJRBEQJ-UHFFFAOYSA-N 447.922 5.483 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)CCNc4ccc(C)cc4C)cc3)CCC2)C1 1789565528 WNULEJFTBKKCJW-UHFFFAOYSA-N 431.580 5.206 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3ccoc3C(F)(F)F)CCC2)cc1)C(F)(F)F 1791303029 IQIQJUUZHIZZGB-UHFFFAOYSA-N 446.347 5.165 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccc(OC)cc3)CCC2)cc1 1791726268 LNNPKGLRDHHLMX-LOSJGSFVSA-N 444.575 5.126 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c2c(Cl)cccc12 1801106422 AETLTKSGMYUZKN-BJWYYQGGSA-N 427.976 5.066 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)C34CC(c5ccccc5)(C3)C4)CC2)C1 1804868747 MUSLFNGTEVJDQQ-UHFFFAOYSA-N 448.651 5.332 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3cccc(C)c3)C2)CC1 1810360197 HAYLMMXMUDSMSJ-JOCHJYFZSA-N 445.607 5.114 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)n[nH]1 1820505426 ZJCJQHGSDQVHBZ-LJQANCHMSA-N 447.366 5.216 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CC[C@H](CC)CC2)n[nH]1 1822225053 XYAWLZRSONJDIY-NXLVEIQXSA-N 426.605 5.387 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc(C(F)F)c2)CC1 1825404153 DZKWEWNIAGHYNP-IFMALSPDSA-N 445.554 5.021 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccsc3[nH]2)CC1 1830886122 DHPIPTSAZZZMTP-IRLDBZIGSA-N 439.625 5.231 30 20 IKED C=CCC(=O)N1CC2(CCCN2C(=O)c2ccccc2Oc2cccc3ccccc23)C1 1845547091 GOESDNUQJMURNA-UHFFFAOYSA-N 426.516 5.025 30 20 IKED COc1ccc(NC(=O)[C@H](OC(=O)/C=C/c2ccccc2C#N)c2ccccc2)cc1Cl 11184051 HWDNJRAQQHVMDA-RBZOQEBVSA-N 446.890 5.157 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cccc(Cl)c2C)cc1 11257786 BKQRKKSVHBKWKV-UHFFFAOYSA-O 445.942 5.827 30 20 IKED CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C(=O)N(CCC#N)c3ccccc3)o2)cc1 22004442 QTWJLQZFATYVPB-SFHVURJKSA-N 449.580 5.010 30 20 IKED Cc1cc(C(=O)/C(=C(/S)NCCc2ccccc2)[n+]2ccc3c(c2)CCCC3)c(C)s1 22791013 QIKVCXYYKOGYLS-UHFFFAOYSA-O 449.665 5.302 30 20 IKED O=C(NCCc1ccc(C(F)(F)F)cc1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 24786232 LLMLNFDBDLIAIT-UHFFFAOYSA-N 445.338 5.022 30 20 IKED CC(C)(C)C[C@@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1 32381240 PNIGXGQILGFIGX-HXUWFJFHSA-N 446.551 5.316 30 20 IKED C=CCn1c(S[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)nc2ccccc2c1=O 59409984 VLKGAXMQLZJSCO-SFHVURJKSA-N 441.556 5.688 30 20 IKED C=CCn1c(SCc2ncc(C(C)C)o2)nc2scc(-c3cccs3)c2c1=O 79091395 HMNVRPKBDMSAEX-UHFFFAOYSA-N 429.592 5.776 30 20 IKED CSc1nc(C(C)C)nc(C)c1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 97428214 LQRDRZSRFGBERR-UHFFFAOYSA-N 446.576 5.528 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1 303473924 IAJNQVSSDBEORU-IBGZPJMESA-N 431.561 5.214 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)N[C@H]3CCCc4sc(Cl)cc43)CC2)c(F)c1 426071593 UAHMYPJYMSYTBB-KRWDZBQOSA-N 433.936 5.043 30 20 IKED Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)Nc1ccc(C#N)c(C#N)c1 427668529 OQLSGNDLEGZCGQ-UHFFFAOYSA-N 431.293 5.179 30 20 IKED C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 428802689 HNUTXOHYDPNWNH-OAHLLOKOSA-N 427.335 5.132 30 20 IKED C[C@@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)c1cccc(SCC#N)c1 430498968 MUHGRIYBMRUTFA-LJQANCHMSA-N 441.556 5.274 30 20 IKED C[C@@H](c1ccc(-c2cccc(C#N)c2)cc1)N1C(=O)CN(Cc2ccc(F)c(F)c2)C1=O 432068019 DBXRSASXLPSCAN-INIZCTEOSA-N 431.442 5.029 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(CCc1ccccn1)Cc1cccnc1 432073140 BQPKINVZVZLSRX-IBGZPJMESA-N 431.565 5.148 30 20 IKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 432786199 OJXVHTJWGIZGLX-CVDCTZTESA-N 442.519 5.087 30 20 IKED N#C[C@@H](CCc1ccccc1)C(=O)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1 433365498 QBOZPKWNCDZGLE-HXUWFJFHSA-N 446.938 5.373 30 20 IKED O=C(CN[C@@H](c1cc(F)ccc1F)C(F)F)Nc1ccc(Cl)cc1C(F)(F)F 434668875 DLWXWJJRCPMIIE-HNNXBMFYSA-N 428.735 5.172 30 20 IKED N#Cc1ccnc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@H](F)C(F)(F)F)(C4)C3)c1 436016586 LKXISFQURYTACL-QGQWTOSVSA-N 431.380 5.014 30 20 IKED O=C(Nc1ncc(C(F)(F)F)cc1Br)c1ccc(F)c(C(F)(F)F)c1 439301638 XUJIQDARIHILRZ-UHFFFAOYSA-N 431.105 5.273 30 20 IKED COc1ccc(NC(=O)N[C@H](CCC#N)c2ccccc2)cc1NC(=O)C1CCCCC1 439394593 HGZZJTQDZXOSLM-OAQYLSRUSA-N 434.540 5.381 30 20 IKED C=CCn1c(SCC(=O)N2C[C@@H](C)CC[C@H]2C)nnc1-c1ccc(Cl)cc1Cl 440405313 JOMLWLJZQUBDDO-UONOGXRCSA-N 439.412 5.177 30 20 IKED Cc1nc(COc2ccccc2C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cs1 441530787 BQOZKFDOCAIURI-UHFFFAOYSA-N 433.411 5.053 30 20 IKED Cc1nc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)nn1-c1c(Cl)cccc1Cl 443874220 AOCOJLRMSWBYCJ-UHFFFAOYSA-N 440.212 5.025 30 20 IKED COc1ccc2[nH]cc(C3=CCN(C(=O)c4cn(CCCC#N)c5ccccc45)CC3)c2c1 443936630 RKDBUPGOKGQUQT-UHFFFAOYSA-N 438.531 5.364 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(-c3ccc(Cl)s3)cn2)c1-c1ccccc1 448513744 IJZSWYJOEKDEJS-UHFFFAOYSA-N 433.924 5.493 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 460926709 LMVMEKXOKLJXOZ-UPTQXZAWSA-N 445.592 5.004 30 20 IKED CC(C)(C)[C@H](C#N)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 464710880 LQMFBWAXJZYWID-WNJRYGEDSA-N 434.521 5.190 30 20 IKED C=C[C@H](C)NC(=O)CSc1nnc(COc2ccc(Cl)cc2C)n1C1CCCCC1 465105700 ALGKQLIRHXORBX-INIZCTEOSA-N 449.020 5.107 30 20 IKED Cc1ccccc1[C@H]1C[C@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 466409491 MFPJJKRWEVIGFS-YHBQERECSA-N 425.532 5.708 30 20 IKED C=CCOc1ccc(CN(C(=O)CCc2nnc(-c3ccsc3)o2)C(C)(C)C)cc1 467874990 NYGOHPBMNKYMMS-UHFFFAOYSA-N 425.554 5.123 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cn(Cc4cccc(F)c4)nn3)cc2Cl)cc1 468790449 CJXGGGJGODQQDA-UHFFFAOYSA-N 447.857 5.035 30 20 IKED Cc1cc(Oc2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)n[nH]1 468956771 KFUVIGNLILCHTA-UHFFFAOYSA-N 426.501 5.786 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)CSc3cccc(C(F)(F)F)c3)ccc21 469954900 YXXDHTHRKDHPFL-UHFFFAOYSA-N 447.482 5.019 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@H]3C[C@H]3c3ccccc3C(F)(F)F)ccc21 469968990 IGDQXJKZUDEZPQ-RBUKOAKNSA-N 441.453 5.031 30 20 IKED COCCCC[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccccc1 471117645 WLAFVIHJWMADIF-QFIPXVFZSA-N 434.565 5.285 30 20 IKED N#CCCn1ccc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)c(Cl)c2)n1 476071245 GZKMYJXGRSCNJT-UHFFFAOYSA-N 435.698 5.802 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 476170844 XUQMHISPUUQRAM-GOSISDBHSA-N 431.502 5.807 30 20 IKED Cn1cc([C@@H](NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c2ccc(F)cc2)cn1 479647361 XRGBVQQIYVDBTE-DEOSSOPVSA-N 442.519 5.101 30 20 IKED CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 479650617 GBPIGSWEQRLHHN-UHFFFAOYSA-N 443.572 5.074 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CCCOc4ccccc43)cc2F)c1 481570702 NXPMOALGWXKMHA-JOCHJYFZSA-N 431.467 5.312 30 20 IKED Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 481712938 NIYVWHYURRYJBY-XMMPIXPASA-N 429.495 5.954 30 20 IKED C[C@@H](NC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F)c1nc2ccccc2n1C(F)F 482382149 HPLFKZDKDGFNKN-RFAUZJTJSA-N 448.342 5.373 30 20 IKED CC(C)(C)OCc1cc(CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)no1 485532094 MVIDWGGNXCIMJV-UHFFFAOYSA-N 439.899 5.237 30 20 IKED N#CCCC[C@@H](NC(=O)c1cc(Br)ccc1Br)c1ccccc1 487601600 JHCDGPABRAFWFC-QGZVFWFLSA-N 436.147 5.377 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)Nc1c(F)cc(F)cc1F 489953331 BDXJCJYCUNMGHP-UHFFFAOYSA-N 445.466 5.695 30 20 IKED N#Cc1ccnc(C(=O)Nc2nc(C3CC3)c(Cc3cccc(C(F)(F)F)c3)s2)c1 493710161 VFGHEBZXXZGRSC-UHFFFAOYSA-N 428.439 5.149 30 20 IKED C[C@H](CCCC(F)(F)F)NC(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 494595628 OEHATOKOUUDXDZ-MRVPVSSYSA-N 432.315 5.460 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cc3ccccc3n2CC(F)(F)F)cc1 495094360 STOPKUSOCMOULY-UHFFFAOYSA-N 439.359 5.280 30 20 IKED N#C[C@@H](NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1ccccc1Cl 499932545 TVPLKWKLMTWFIT-OAQYLSRUSA-N 432.936 5.503 30 20 IKED C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1cccc(N2CCCC2=O)c1 501623247 WQSNNJJBSGNMDZ-SFHVURJKSA-N 441.556 5.327 30 20 IKED N#C[C@H](NC(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1cccc(C(F)(F)F)c1 505913459 UGHLXBHMFKWJJL-FQEVSTJZSA-N 429.442 5.219 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N[C@H](C[C@@H]3CCOC3)c3ccccc3)c2)cc1 510053062 CVEJHCMJZAABKW-BKMJKUGQSA-N 426.516 5.035 30 20 IKED Fc1cccc(F)c1-n1ccc(CN[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)n1 510455432 DURHTUDCZJRGLH-QGZVFWFLSA-N 433.327 5.145 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H]3CCc4cc(Cl)ccc43)c2)c1 510644070 IIQYGGBLQIQTBX-QFIPXVFZSA-N 430.895 5.273 30 20 IKED CCOC(=O)c1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 510824770 GEGMJLLGKLSADR-UHFFFAOYSA-N 429.476 5.157 30 20 IKED CCOc1ccc(-c2noc(CNc3cccc(OCc4cccc(C#N)c4)c3)n2)cc1 515665235 AZWAOWUDFKZGGZ-UHFFFAOYSA-N 426.476 5.198 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(F)cc3-c3ccc(F)cc3)CC2)c1 517128786 DFRBTHPJKXGNHT-UHFFFAOYSA-N 433.458 5.579 30 20 IKED COc1ccc([C@H](NC(=O)CNc2cccc(Oc3ccc(C#N)cc3)c2)C2CC2)cc1 517923324 GCCHFJGZRWMQNJ-AREMUKBSSA-N 427.504 5.039 30 20 IKED COc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cs2)cc1 518516639 QGIVBCLFJWKXBT-GOSISDBHSA-N 442.525 5.304 30 20 IKED CCCOc1c(Cl)cc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1OC 518850214 QVXMCOGXCXNSSN-MRXNPFEDSA-N 427.715 5.439 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1sccc1Br 519417331 SRFXBTLTVZOAHW-LBPRGKRZSA-N 441.441 5.777 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CCC(=O)N3CCSc4ccccc43)cc2)c1 519510586 UNYLKLZYESNUIV-UHFFFAOYSA-N 443.528 5.208 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)cc2)cc1 520599552 YEVMLUMEIHHVDG-FQEVSTJZSA-N 440.503 5.233 30 20 IKED Cc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cs2)cc1 521265531 IVEWSLVZDXHHEG-CQSZACIVSA-N 437.496 6.010 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1NC(=O)c1ccccc1 521725508 DWEFESBMENMDTM-QGZVFWFLSA-N 429.545 5.751 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 521730199 NENRYSUIVWPMPT-ZDUSSCGKSA-N 427.982 6.276 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC(Nc3ccc(F)cc3)CC2)c1 522633691 ZWAOTGGBYLBFDY-UHFFFAOYSA-N 449.913 5.860 30 20 IKED C=CCN(C(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1)c1nc(C(=O)OCC)cs1 522683096 RFBJMIPYXURFKI-UHFFFAOYSA-N 442.487 5.406 30 20 IKED COc1ccccc1[C@@H]1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1 523125564 BZLQLTCCMHFVRJ-GOSISDBHSA-N 432.907 5.642 30 20 IKED CCN(Cc1ccccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)C(C)=O 523878424 QYQZOCSGCHMKMS-UHFFFAOYSA-N 447.922 5.625 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1nc2ccccc2s1 524440582 UUNZVIYYPZIYIB-UHFFFAOYSA-N 428.517 5.377 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)CSCc3coc(-c4ccccc4)n3)c2)cc1 524711915 RMSDAEFRUURPQZ-UHFFFAOYSA-N 441.512 5.877 30 20 IKED COc1ccc(Br)cc1S[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 525003177 QKMUAUHDSFGHAN-ZDUSSCGKSA-N 437.334 5.024 30 20 IKED N#CCCCOc1cccc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)c1 525140707 PYJPLNKWABFJBC-UHFFFAOYSA-N 443.290 5.511 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c1 525570415 CDFVASJRRPMUHK-NRFANRHFSA-N 425.960 5.617 30 20 IKED CCCc1c(NC(=O)N2CCC(c3ccccc3F)CC2)cnn1-c1cccc(C#N)c1 527381701 JRZHVQLNVXRBGI-UHFFFAOYSA-N 431.515 5.247 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(F)ccc3OCC(F)(F)F)o2)cc1 530737631 NBLWBZWDHMAOOA-UHFFFAOYSA-N 434.345 5.063 30 20 IKED COc1ccc(Br)cc1CNC(=O)Nc1ccccc1SC[C@@H](C)C#N 532636464 ACEQVZUYWZSQKV-ZDUSSCGKSA-N 434.359 5.031 30 20 IKED COc1ccccc1COc1cccc(NC(=O)N[C@H](CCC#N)c2ccccc2)c1C 534748731 KGTCXFWXTQOYJG-HSZRJFAPSA-N 429.520 5.749 30 20 IKED C=CCN(C(=O)[C@@H]1CCC(=O)[C@H](C)C1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 538194579 LSMDSBJIWVJHIN-XMSQKQJNSA-N 430.573 6.001 30 20 IKED N#Cc1ccc(C2=CCN(Cc3cccc(NC(=O)c4ccccc4Cl)c3)CC2)cc1 538823936 SWUAHSNLUCZZRX-UHFFFAOYSA-N 427.935 5.753 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@H](c3ccccc3)[C@@H]3CCOC3)c2)cc1 539028318 ULOUPMIPWBSRIY-ZEQKJWHPSA-N 441.531 5.231 30 20 IKED COc1cc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1OCc1ccncc1 543851773 WGZMJNFATVIOOF-OAQYLSRUSA-N 449.554 6.059 30 20 IKED CC1(C(=O)N2CC=C(c3ccc(F)cc3)CC2)CCN(c2ccc(Cl)cc2C#N)CC1 552778631 CJNOHWFPLVQAOP-UHFFFAOYSA-N 437.946 5.273 30 20 IKED CCOc1ccc(-n2c(SCc3cccc(C#N)c3F)nnc2-c2ccccn2)cc1 552832247 YMKXJWPGMGKSPO-UHFFFAOYSA-N 431.496 5.031 30 20 IKED C[C@@](C#N)(NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)C1CCCCC1 559594386 BCMRKYIWIOYDAR-QHCPKHFHSA-N 441.601 5.114 30 20 IKED CN(Cc1ccc(Br)s1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 565862470 AIZBIAWLSLJXRW-UHFFFAOYSA-N 443.326 5.233 30 20 IKED N#CCCCn1cc(-c2nc(-c3cn4ccc(Br)cc4n3)no2)c2ccccc21 569295055 WVLGAADUBKLEHO-UHFFFAOYSA-N 447.296 5.072 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(F)c3Br)cc2)c1 583707033 HTZSYKGGNOQJHI-UHFFFAOYSA-N 425.257 5.291 30 20 IKED O=C(c1csc(Cc2ccc(F)cc2)n1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 588793023 WKGNSHQNRXUCAU-RYUDHWBXSA-N 440.384 5.076 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCC(=O)c3ccc(F)cc3)cc2Cl)c1 590276645 LURSEZMKHSBEGV-UHFFFAOYSA-N 436.870 5.531 30 20 IKED CC(C)(C)c1noc2ncc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc12 590388528 GNUDLLQRHJUDAV-QGZVFWFLSA-N 427.489 5.006 30 20 IKED C=CCN(C(=O)Nc1cc(Cl)c(C)c(Cl)c1)[C@H](C)c1cccc(-n2cnnn2)c1 596359413 ASINGTQMEPWCES-CQSZACIVSA-N 431.327 5.059 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 603578017 BMODMNIGBSJKLO-LJQANCHMSA-N 443.576 5.002 30 20 IKED C[C@H](Oc1ccccc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 603757703 ILXRKGYRLNLQMH-ZDUSSCGKSA-N 431.439 5.030 30 20 IKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1[C@@H](C)c1ccccc1 603917222 GEBMGAISRBXVRP-XHNVNVPESA-N 447.608 5.089 30 20 IKED N#Cc1c(NC(=O)CCc2nnc(-c3ccsc3)o2)sc2c1-c1ccccc1CC2 603991986 KTXPDFBJWFDTRU-UHFFFAOYSA-N 432.530 5.068 30 20 IKED CCCOc1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc2ccccc12 604134512 JPUPNQSWPBGSPK-FQEVSTJZSA-N 443.528 5.646 30 20 IKED C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1nc2ccccc2n1C(F)F 609006746 UKERBUBKDNWIKX-QGZVFWFLSA-N 432.474 5.733 30 20 IKED N#Cc1cccc(COc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2)c1 609068715 PFWJIWURAOZJPK-UHFFFAOYSA-N 433.316 5.245 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc1 609298246 PFPFNDAQGUNHFF-HSZRJFAPSA-N 442.450 5.470 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 609437067 OACMWVDXUDBDMY-AUUYWEPGSA-N 433.936 5.479 30 20 IKED CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 609439750 NJTPWZLARJCCIH-IAGOWNOFSA-N 441.622 5.397 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC[C@@H]3CCCO[C@H]3c3ccccc3)cc2)cc1 609501926 JQIWGTLZQXIYLU-OZXSUGGESA-N 426.516 5.443 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)NCc3ccc(OCc4ccccn4)cc3)c2)cc1 609642209 FIFLLFZDIHUHSM-UHFFFAOYSA-N 449.510 5.041 30 20 IKED COc1ccc(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cc1NC(=O)C1CCCCC1 609697540 GYMWJBVTVYBJBF-DEOSSOPVSA-N 449.551 5.128 30 20 IKED C[C@H](c1nc2ccccc2s1)N1CCN(c2c(C#N)cnc3ccc(Cl)cc23)CC1 610245165 BKVAMVWRJRXMSS-OAHLLOKOSA-N 433.968 5.253 30 20 IKED C=CCN(Cc1ccccc1)C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 611824195 VFRMNKSPOQIXKG-UHFFFAOYSA-N 439.309 5.123 30 20 IKED C[C@@H](NC(=O)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1)c1cccc(C#N)c1 612469213 PLTQERRGDVVSJS-PXAZEXFGSA-N 440.263 5.375 30 20 IKED N#C[C@@H](C(=O)c1ccc(COc2ccc(F)cc2)o1)c1nc2cc(Cl)ccc2s1 613403775 SRDHRADRRNIGMX-INIZCTEOSA-N 426.856 5.751 30 20 IKED Cc1ccc([C@H](Nc2nc(C(C)(C)C)ccc2C#N)c2cccc(S(C)(=O)=O)c2)cc1 613425643 BFUORXYRUHOHHT-QHCPKHFHSA-N 433.577 5.164 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 615497986 RLIYCVARSXVFBU-BGYRXZFFSA-N 435.568 5.033 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)c3cc4sc(N5CCCC5)nc4s3)n2)cc1 619515584 VUGYDPYHFZFGRR-UHFFFAOYSA-N 437.575 5.205 30 20 IKED COCc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)oc2ccccc12 642282195 TVPCHPUBQGCYBE-CYBMUJFWSA-N 430.407 5.698 30 20 IKED C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 674330549 FKPAIXHYYMFIRF-KZTGVZKYSA-N 426.376 5.221 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccccc3C(F)(F)F)n2)cc1 727232502 MKHYQSCZWTYKNW-BBRMVZONSA-N 446.450 5.481 30 20 IKED C#Cc1cccc(NC(=S)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(C(F)(F)F)c2)c1 727981231 GNEIEAODMPIGMT-HUUCEWRRSA-N 433.499 5.109 30 20 IKED CSc1ccc(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 728297919 NZCXWVHLVIKRKL-INIZCTEOSA-N 435.524 5.437 30 20 IKED Cn1c([C@H](C#N)C(=O)[C@H](Sc2ccccc2Cl)c2ccccc2)nc2ccccc21 730072781 YKXHCVQPAFIJBZ-UZUQRXQVSA-N 431.948 5.937 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 730685668 BCPUJSZYVAMNKH-GBESFXJTSA-N 429.347 5.569 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)ccc1F 730696467 UOEVHERQEJSYLH-CYBMUJFWSA-N 429.448 5.412 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(N4CCSCC4)cc3)cc2)c1 731399849 GMJFZKHTWAPLIF-UHFFFAOYSA-N 444.560 5.225 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(OCc4cccnc4)cc3)cc2)cc1 731988596 CJGWTLWOTRZYSE-UHFFFAOYSA-N 435.483 5.771 30 20 IKED N#Cc1ccc(CCC(=O)O[C@H](CC(F)(F)F)c2ccc(Br)cc2)cc1 731993115 BWVWKOHISFVQLT-QGZVFWFLSA-N 426.232 5.490 30 20 IKED CC(C)[C@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 733047340 QJBKWHNHHIVNBZ-LOSJGSFVSA-N 425.532 5.136 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H](c2ccccc2)C2CCOCC2)cc1 734351236 CBZFMUFMPDNGIC-VWLOTQADSA-N 430.479 5.387 30 20 IKED C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@@H]2c2cccc(N(C)C)c2)c1=S 735484596 GFBQVOXQFGZGAI-HSZRJFAPSA-N 433.625 5.051 30 20 IKED O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)c1cncc(F)c1 737446472 TXHBJHQKBHYQAO-ZHACJKMWSA-N 437.430 5.076 30 20 IKED Cc1oc(-c2ccccc2F)nc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 739159622 HWIYRANLPPDODM-CYBMUJFWSA-N 439.418 5.681 30 20 IKED C#CCOc1ccc(C(=O)Nc2ccc(OC)c(OCc3ccc4ccccc4n3)c2)cc1 741553739 ACHUWJRNZDDZKM-UHFFFAOYSA-N 438.483 5.087 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1 742581302 QXZDKDZXCRJBRX-UHFFFAOYSA-N 447.491 5.529 30 20 IKED C=CCOc1ccc(OC(=O)CCc2nc(C)c(-c3ccc(Br)cc3)o2)cc1 742859919 CZSBNNRAPBKWBM-UHFFFAOYSA-N 442.309 5.516 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=S)NCc1ccc(OC(F)(F)F)cc1 742998850 OBXBWZCAYKVHMX-CYBMUJFWSA-N 425.501 5.324 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)N(CCC#N)c1ccccc1 743473115 BQQYVKAKWHUICC-LJQANCHMSA-N 442.494 5.024 30 20 IKED COc1ccccc1N=C1SCCN1C(=O)c1sc(-c2ccc(F)cc2)nc1C 743836848 DHRJUFRQUUWEEY-UHFFFAOYSA-N 427.526 5.143 30 20 IKED COc1cc(/C=C/C(=O)c2cccc(O[C@H](C)C(=O)O)c2)ccc1OCc1ccccc1 745021421 OFRPEAWNBLEOKD-IYPOZPNPSA-N 432.472 5.022 30 20 IKED CSc1nc(C2CC2)cc(C(=O)O[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)c1C#N 746062782 GPMQMTCFHZLJMH-NSHDSACASA-N 440.912 5.174 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)NCC[C@H](C)c2cccc(C(F)(F)F)c2)c1 746416848 AGXNTFCNSSUEKE-OXJNMPFZSA-N 433.474 5.379 30 20 IKED CCOc1cc(/C=C(\C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)ccc1O 747154717 JOUIQQMAWROQOE-ZHZULCJRSA-N 449.934 5.966 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)/C=C\c1ccc(F)cc1 747615655 FIHGZDQYUGIOLP-FLIBITNWSA-N 430.448 5.263 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccccc3Cl)n2)cc1 748011050 ZZGVKFBXBCLSLC-QGZVFWFLSA-N 426.925 5.508 30 20 IKED CN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 749006768 FEPVATWBSCSTEE-NRFANRHFSA-N 444.362 6.422 30 20 IKED N#CCSc1ccccc1C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 749630140 LTOHDDPPVGHWMP-UHFFFAOYSA-N 441.556 5.076 30 20 IKED C=CCC[C@@H](NC(=O)c1cc(N2CCOC2=O)ccc1F)c1ccc(C(F)(F)F)cc1 749949162 OEONPOMJQALNBA-LJQANCHMSA-N 436.405 5.238 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1ccccc1Oc1cccc(Br)c1 760801170 PPJIEUKYSZCGJS-UHFFFAOYSA-N 441.256 5.535 30 20 IKED Cc1sc([C@H](C)NC(=O)Nc2ccc(F)cc2OCC#N)nc1-c1ccc(Cl)cc1 761677348 NAZWMCNRDHWQKQ-LBPRGKRZSA-N 444.919 5.696 30 20 IKED C[C@H](c1ccccn1)N(C(=O)CCCCOc1cccc(C#N)c1)c1ccc(N(C)C)cc1 766588836 XWRXVRLVIKAZBF-OAQYLSRUSA-N 442.563 5.363 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(Cl)nc2C(F)(F)F)cc1F 766765862 QOUBPBKGUHFWDA-UHFFFAOYSA-N 435.764 5.809 30 20 IKED CC(C)(C)OC(=O)NC1(c2noc(-c3cn(CCCC#N)c4ccccc34)n2)CCCC1 766896542 ZRPAQXXUMCVDDG-UHFFFAOYSA-N 435.528 5.289 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(F)cc1Br 767753480 LTQXBTQPBWJTAF-UHFFFAOYSA-N 442.313 5.217 30 20 IKED Cn1c(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)ccc1-c1ccccc1Br 767978706 HNXHYPDUVMSSEO-UHFFFAOYSA-N 446.348 5.256 30 20 IKED O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(N2CCNC2=O)cc1 782364839 DLXJZUVROVLLLX-LZCJLJQNSA-N 428.332 5.150 30 20 IKED CC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ncc(-c2ccccc2)[nH]1 782553544 QIBAQKSLBUIQDY-DNQXCXABSA-N 435.531 6.005 30 20 IKED C[C@H](OC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1nnc(-c2cccc(Cl)c2)o1 784966537 CSWBWNFQQRWWDQ-HNNXBMFYSA-N 447.882 5.085 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1 785221259 HTEOVJVCKJMCAN-QZTJIDSGSA-N 445.544 5.408 30 20 IKED C#CCC1(C(=O)OCc2csc(N(C(C)=O)c3c(C)cc(C)cc3C)n2)CCCCC1 788213431 LYFGPCBCTGETOF-UHFFFAOYSA-N 438.593 5.770 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)cc1 800518932 HGCZRHNPGAVIFA-IZZNHLLZSA-N 448.526 5.067 30 20 IKED CC(C)C(=O)c1ccc([C@H](C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cc1 802123721 SJMRRBSIOMQUTP-JTQLQIEISA-N 434.323 5.343 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N(C)Cc1c(C)noc1C 802573252 WFZJMKJUHJMAHQ-IBGZPJMESA-N 431.540 5.389 30 20 IKED C#CCN(C(=O)Nc1ncsc1C(C)C)[C@@H]1CCOc2ccc(Br)cc21 808915665 SDWRAYSYJKJSET-OAHLLOKOSA-N 434.359 5.020 30 20 IKED C[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1ccc(S[C@@H]2CCCCNC2=O)cc1 809049669 ZXMJLBCPHNSVNF-QTGUNEKASA-N 436.577 5.139 30 20 IKED O=C(O)C(=O)/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc2ccccc2n1 818194083 AKVGZMHOXCMSSF-AQTBWJFISA-N 430.441 5.066 30 20 IKED CCOc1c(Cl)cc(C=NOCc2cc(Cl)c3c(c2)OCCCO3)cc1OC 836737522 URVDGCGODCZIOK-UHFFFAOYSA-N 426.296 5.113 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1 915086725 MZKPLEWFNKFOJB-HHHXNRCGSA-N 445.522 5.378 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)cc1 915100240 NFWOHWIDQGNYKX-HXUWFJFHSA-N 447.560 5.885 30 20 IKED N#C[C@H](C(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1nc(-c2ccccc2)cs1 915101951 LDWSBZWSBJBQDT-CQSZACIVSA-N 426.423 5.055 30 20 IKED CSc1nc(C2CC2)cc(C(=O)O[C@@H](C(=O)Nc2ccccc2Cl)C(C)C)c1C#N 915383421 GFPKQEIWPXWAEU-LJQANCHMSA-N 443.956 5.026 30 20 IKED COc1ccc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1CC(=O)O 916546845 KCBUBGWMJWVMFR-DAXSKMNVSA-N 441.823 5.040 30 20 IKED COC(=O)c1cn(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2ccccc12 916976141 LJWBOWWXFVREFE-KRWDZBQOSA-N 449.919 5.081 30 20 IKED N#C[C@@H](C(=O)CSc1cc(Cl)ccc1Cl)c1nc2ccccc2n1C(F)F 917039913 HRGAFRROVXMKKF-NSHDSACASA-N 426.275 5.707 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)/C=C/c2cc(C)n(C3CCCCC3)c2C)n1 920328026 SPIUXGBYDWWSTC-VYENPZKTSA-N 425.554 5.133 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cccnc3SCC)cc2)CCC1 1785781087 XSZNSGXDDYAZQA-UHFFFAOYSA-N 435.593 5.135 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cnccc34)CCC2)cc1 1785843349 VVRXGJDPCHZQBV-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C(F)F)no3)cc2)CCC1 1788308189 QTEKUFMQCNDNEO-QGZVFWFLSA-N 429.467 5.128 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc4nc[nH]c34)cc2)CCC1 1788432098 WBPDBJDYELVEOX-FQEVSTJZSA-N 428.536 5.079 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCc3cncc(OC)c3)CCC2)cc1 1789624277 TVNKOTCLOPZRQZ-UHFFFAOYSA-N 449.595 5.149 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cccn4ccnc34)CCC2)cc1 1789626441 ORKRXDLFEUYABI-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(F)F)cc4)cc3)CCC2)C1 1790671729 DLOBBPGYROEHLD-UHFFFAOYSA-N 426.463 5.002 30 20 IKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3c(F)cc(Cl)cc3Cl)CCC2)cc1 1791578254 YJFYHOWFUSMZGH-LLVKDONJSA-N 441.355 5.199 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)C3(c4ccc(F)cc4)CC3)C2)CC1 1806626072 ZDGWXNNLJINNGK-UHFFFAOYSA-N 440.603 5.081 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)sc2Cl)n[nH]1 1819966259 SBMYCPLGYXYPBZ-FZMZJTMJSA-N 441.384 5.296 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(Cl)c2)n[nH]1 1820499494 UZNICFAFNPBBRH-QUCCMNQESA-N 426.948 5.137 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)[nH]n1 1821924660 GLQOVBXZIZLRCS-AUUYWEPGSA-N 439.947 5.063 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cccc(C)c3[nH]2)CC1 1824142471 RQMHDFLNAPPGEE-VWLOTQADSA-N 447.623 5.478 30 20 IKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1826693270 MSZUZCLYXJKSJI-QHCPKHFHSA-N 443.547 5.123 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc(F)cc(F)c2)CC1 1829067033 APYPSUPXWSBLRV-HSZRJFAPSA-N 446.582 5.119 30 20 IKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1830784773 UVRRWPMAHDIQAH-JOCHJYFZSA-N 449.422 5.339 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3ccoc3c2)CC1 1830903847 DEVNHYGZWGFHCR-XMMPIXPASA-N 434.580 5.435 30 20 IKED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)C1 1843992520 BOZOWICAMXAPNK-UHFFFAOYSA-N 439.987 5.006 30 20 IKED CC(C)(C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCCCCCCCCc1ccccc1 1847350488 RFYCDGOUSJFCAF-ZEQRLZLVSA-N 437.628 5.101 30 20 IKED COc1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2cccc(O)c2)cc1 10179456 SROOPFNALHQGQV-UHFFFAOYSA-O 448.351 5.046 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2c(C)cccc2C)cc1 11153450 BIVYRFPREKQPLE-UHFFFAOYSA-O 434.629 5.550 30 20 IKED Cc1oc(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 16871789 UERGXBQHCYJWDJ-OAHLLOKOSA-N 449.532 5.036 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3cccc(C)c3)o2)nc2sc(C)c(C)c2c1=O 17652943 PDFOZJBZDXNEEI-OAHLLOKOSA-N 438.578 5.473 30 20 IKED CC(C)c1cc(C(=O)OCC(=O)Nc2ccccc2SCC#N)c(O)c(C(C)C)c1 21178554 ZJRDEUYYDAGECE-UHFFFAOYSA-N 426.538 5.050 30 20 IKED C=CCn1c(SC[C@H](O)COc2ccc(-c3ccccc3)cc2)nnc1-c1ccoc1C 21437995 HZCVINGVBANWHH-OAQYLSRUSA-N 447.560 5.232 30 20 IKED C=C(C)CN/C(S)=C(/C(=O)c1cc(C)ccc1C)[n+]1ccc(Cc2ccccc2)cc1 22797807 CLACOYPTGCLMQF-UHFFFAOYSA-O 429.609 5.286 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(Nc2cccc(F)c2)s1 26526118 VNJYSBSXTMQWPF-ZDUSSCGKSA-N 434.587 5.178 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1C#N 32289944 BPTVMBHYRBAULU-UHFFFAOYSA-N 440.528 5.256 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)c1ccc(NC(=O)C(C)C)cc1 32786896 RCGRRDNGUGSSAC-GOSISDBHSA-N 448.592 5.013 30 20 IKED O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(N2CCOCC2)cc1 57438368 MKJRWSBMNJIQAH-MDWZMJQESA-N 446.934 5.325 30 20 IKED C=CCN(C(=O)[C@H](C)Oc1ccc(CCC(C)=O)cc1)c1nc(-c2ccccc2)cs1 62864445 FGUPUCVBNSWYQG-IBGZPJMESA-N 434.561 5.318 30 20 IKED C[C@@H](Sc1cc(C#N)ccn1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 71918348 FCPUTEXOVNXZFQ-KUHUBIRLSA-N 436.924 5.058 30 20 IKED O=C(/C=C/c1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc([N+](=O)[O-])cc1 108213391 TWXGOHFMEDERCI-VHUAAIQRSA-N 428.400 5.295 30 20 IKED O=C1/C(=C\c2cccc(F)c2)CC2(C/C1=C\c1cccc(F)c1)C(=O)Nc1ccccc12 206411384 CSFOVIUJLCWDPI-UHWBUFEVSA-N 427.450 5.685 30 20 IKED COc1ccc(CNCc2cccc(OCc3cccc(C#N)c3)c2)cc1Br 237264517 PACFDXFJMIVQGV-UHFFFAOYSA-N 437.337 5.198 30 20 IKED N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1cccc(Cl)c1Cl 303858003 LXCJHBCBLDOYQB-GUTXKFCHSA-N 429.225 5.377 30 20 IKED N#C[C@H](C(=O)c1ccc(Sc2ccccc2Cl)nn1)c1nc(-c2ccncc2)cs1 426175772 VYSIXZJTPJFCOW-CQSZACIVSA-N 449.948 5.290 30 20 IKED C=CCC[C@H](NC(=O)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 433894165 ACBIDVSHOIZTNV-PVAVHDDUSA-N 438.412 5.058 30 20 IKED CCn1ncc2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)c(C)nc21 440678378 GJNHLXOUYYXHDP-UHFFFAOYSA-N 431.883 5.329 30 20 IKED C=CCC[C@@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccc(C(F)(F)F)cc1 441595697 WLCSJILNKBSLQE-GOSISDBHSA-N 431.483 5.590 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1)c1ccc(C(F)(F)F)cc1 442220037 IFGRWVRTWBDRLI-FXAWDEMLSA-N 431.458 5.138 30 20 IKED C=CCC[C@H](NC(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1)c1ccc(C(F)(F)F)cc1 442220044 IFGRWVRTWBDRLI-PXNSSMCTSA-N 431.458 5.138 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2c(F)cc(Br)cc2F)o1 443878206 ARIUQOXGJBDMOL-UHFFFAOYSA-N 433.208 5.023 30 20 IKED N#Cc1ccc(/C=C\c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)no2)cc1 445805381 JXEPSXVSKBJMOP-YVMONPNESA-N 440.303 5.134 30 20 IKED CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1cccc(Cl)c1 460723715 YHTRPMQIZWBNGF-JOCHJYFZSA-N 435.959 5.238 30 20 IKED COC(C)(C)c1nc(C)c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)s1 463149620 VRQFIXHOSPOMSW-CYBMUJFWSA-N 431.627 5.670 30 20 IKED N#Cc1cc(NC(=O)Cc2cn3ccccc3n2)ccc1Oc1ccc(C(F)(F)F)cc1 464302942 PGBWWQDNTLFJIT-UHFFFAOYSA-N 436.393 5.198 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)s2)cc1OC 464943683 MQTFVOPQMHDCRD-UXHICEINSA-N 447.560 5.048 30 20 IKED C[C@H](Nc1ccc(-c2sc(CC(N)=O)cc2Br)cc1)c1ccc(C#N)cc1 465413596 SPESYPNCHUUDQK-ZDUSSCGKSA-N 440.366 5.250 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469124266 WJSXGWVSOJLEHX-LJQANCHMSA-N 432.568 5.141 30 20 IKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1-n1cccn1 470761034 ULCCNWBFKIHSQJ-IBGZPJMESA-N 438.556 5.527 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 472441536 YRMJWOINKUNIPS-LAMXGVLKSA-N 426.516 5.223 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1ncc(-c2cccc(F)c2)o1 476517621 YWMTXPCYCSCSQO-UHFFFAOYSA-N 440.475 5.269 30 20 IKED N#Cc1cc(C(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)cnc1C(F)(F)F 477243120 GLHVRHNIFBTJTC-UHFFFAOYSA-N 426.782 5.140 30 20 IKED CC(C)Oc1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)c(C(F)(F)F)c1 479972839 WORWXVRHJNNYCQ-UHFFFAOYSA-N 428.458 5.055 30 20 IKED CCCCN(C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1)[C@H](CC)c1ccccc1 481029825 CATLZIMMOVSCDH-PGRDOPGGSA-N 427.570 5.158 30 20 IKED Cc1ccc(Sc2ccc(NC(=O)C(=O)N[C@@H](C)c3ccc(C#N)cc3)cc2)c(C)c1 481131734 AYQMLKZSRLPYNN-SFHVURJKSA-N 429.545 5.142 30 20 IKED C=CCn1c(SCc2nnc(-c3ccccc3Cl)o2)nnc1-c1cccc(Cl)c1 481377299 RLHIOIDMWCLVDM-UHFFFAOYSA-N 444.347 5.780 30 20 IKED COc1cccc(C(NC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2cccc(OC)c2)c1 481811402 HSNKGBXUJLJVFX-UHFFFAOYSA-N 429.520 5.416 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)N[C@H](C)c3ccc(CC)cc3)o2)cc1 489787507 FSHFNESUSUXBOD-SJORKVTESA-N 437.565 5.222 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3ccc(OCc4cccnc4)cc3)o2)cc1 489796606 XOKRZQXBFHEWBI-UHFFFAOYSA-N 431.517 5.568 30 20 IKED C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1noc(-c2ccc(Cl)cc2)n1 489957834 NRJRWFPZXVZVRS-OAHLLOKOSA-N 428.879 5.420 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)Cc1cn(C)nc1-c1ccc(C#N)cc1 490565431 JBVKRJROBCXVCV-SFHVURJKSA-N 427.577 5.584 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N(CC#N)c1ccccc1 495501679 GIADVGGIXJQSPU-UHFFFAOYSA-N 427.888 5.272 30 20 IKED COc1ccc(NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1Oc1ccc(C)nn1 499895442 OSDMINPWQXPVMZ-MRXNPFEDSA-N 449.536 5.624 30 20 IKED N#CCc1ccc(NC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cc1 502375381 LZBBREQLZWKEPF-UHFFFAOYSA-N 425.319 5.689 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 503196952 GUZLULPPQHMFJR-OALUTQOASA-N 430.577 6.898 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(-c4ccc5c(c4)OCO5)s3)n2)cc1 503587212 ZVLMSZIHZOTFBE-MRXNPFEDSA-N 445.525 5.461 30 20 IKED N#Cc1ccc(Oc2ccc(-c3nc(-c4cccc(OCc5cccnc5)c4)no3)cc2)nc1 504833262 HRTPCFSFEGNPDA-UHFFFAOYSA-N 447.454 5.437 30 20 IKED N#C[C@H](NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(Cl)c(Cl)c1 505916636 HCLFGEAOQLXYFR-KRWDZBQOSA-N 449.725 5.401 30 20 IKED N#Cc1ccc(OC2CCN(CCC(=O)Nc3ccccc3Oc3ccccc3)CC2)cc1 507863661 ZNGATYOIMIWPHH-UHFFFAOYSA-N 441.531 5.223 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(=O)Nc1ccc(S[C@H](C)CC)cc1C 507970776 JDGKMNIXTNSHGP-LJQANCHMSA-N 442.629 5.206 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)c2cc(F)ccc2OC)cc1 508246540 AHZNLGGXXHBQAX-HNNXBMFYSA-N 435.455 5.390 30 20 IKED N#Cc1ccc(Cl)c(C(=O)N2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)c1 509211155 MBMCMJZTTIYRAK-GOSISDBHSA-N 436.726 5.152 30 20 IKED C=CCSc1ccccc1NC(=O)CNc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 509838541 LNRQECWCMDUVEJ-UHFFFAOYSA-N 447.560 5.276 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(F)c2ccccc12 511720467 LMZNRNWIXQPSOP-CVEARBPZSA-N 435.524 5.047 30 20 IKED N#CCCCS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2Cl)C2CCCC2)cc1 511923595 QLMLVMDQBXYQAK-UHFFFAOYSA-N 444.984 5.002 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@H]1C 512357789 YRXJNXVMQOYQPG-BBWFWOEESA-N 439.943 5.021 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(C(F)(F)F)nc2C)cc1C 512397388 DIBXEZKQAILIHI-UHFFFAOYSA-N 427.430 5.055 30 20 IKED Cc1noc(C)c1CSc1ccccc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 513158481 BPJJWECZNIAAQU-MRXNPFEDSA-N 431.439 5.488 30 20 IKED Cc1ccc(-n2ncc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)c2C2CC2)cc1Cl 513177878 YHXBMWADWLIPOM-INIZCTEOSA-N 444.844 5.615 30 20 IKED N#C[C@H](C(=O)c1sc(-c2ccco2)nc1-c1ccccc1)c1ccc(C(F)(F)F)cn1 513191208 GXHXUUMJVLNVLZ-HNNXBMFYSA-N 439.418 5.974 30 20 IKED CN(C[C@H]1OCCc2ccccc21)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 513984686 GASQLZDUMGNUSV-AREMUKBSSA-N 441.531 5.109 30 20 IKED C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@@H](OCCC)CC1 516817700 IMOKJDDORBBFMI-HXUWFJFHSA-N 437.613 5.349 30 20 IKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1SC[C@@H](C)C#N 517461504 JTSGRLODXDKQSW-LBPRGKRZSA-N 446.359 6.461 30 20 IKED COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 517934423 SCKQBFFCFYCNBV-ZWKOTPCHSA-N 445.519 5.046 30 20 IKED CCOc1ccc(-c2nc(CC(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)cs2)cc1 518024934 BYNLQGITIPGXFB-SFHVURJKSA-N 446.359 5.439 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCc4c(Br)cccc4C3)cc2)c1 518254975 DQJJVVFXYNNDNL-UHFFFAOYSA-N 448.320 5.703 30 20 IKED C=CCn1c(SCC(=O)NC[C@@H]2CC=CCC2)nnc1-c1ccc(Cl)cc1Cl 519024007 ZZLPSBLKOIMRIR-CQSZACIVSA-N 437.396 5.003 30 20 IKED CC(C)Oc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c(C(F)(F)F)c1 520625385 CYHDIDWTGOJXCK-UHFFFAOYSA-N 444.409 5.789 30 20 IKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c([N+](=O)[O-])cccc1C(F)(F)F 520659065 RBZHUODUUMXWKD-UHFFFAOYSA-N 446.225 5.904 30 20 IKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 520913917 XENPOPNAZNELOR-SFHVURJKSA-N 445.544 5.358 30 20 IKED CC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)c12 521016291 YNTHYYROLNFHHG-QGZVFWFLSA-N 429.307 5.525 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2csc(Br)c2)cc1 521741309 AGLUDFLUNWRWLL-UHFFFAOYSA-N 443.391 5.605 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2nc(-c3cccnc3)cs2)c1 522575023 NNOXBRORMHGYEE-UHFFFAOYSA-N 432.892 5.775 30 20 IKED C=CCN(C(=O)c1cc(OC)c(Br)s1)c1nc(-c2ccccc2)cs1 533964771 DDUJFLKWKDDVRE-UHFFFAOYSA-N 435.368 5.476 30 20 IKED C=C[C@@H](CC(=O)N(CCOC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccccc1 535413598 BZTNUQCOKDKPBB-KRWDZBQOSA-N 437.521 5.058 30 20 IKED C=C[C@@H](CC(=O)N[C@@H](C)c1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1 535431991 DQTAOTPNMVJPNV-ROUUACIJSA-N 440.590 5.086 30 20 IKED COc1ccc(OCc2nc(CNCc3ccc(-c4ccccc4C#N)cc3)cs2)cc1 536890352 SSGCWENPVDENOO-UHFFFAOYSA-N 441.556 5.559 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(Br)c2O)cc1 538742322 GCGIWJIEWNSOQW-UHFFFAOYSA-N 437.293 5.052 30 20 IKED O=C(CCCC(F)(F)F)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 538845347 XMLXGDBHSVLKGZ-UHFFFAOYSA-N 436.327 5.768 30 20 IKED O=C(CCc1cccnc1)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 542153447 FVNSUSOYBODNET-HNNXBMFYSA-N 444.297 5.472 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC(CCCn4ccnc4)CC3)cc2)cc1 542167793 FFNCIDBFXMDXMK-UHFFFAOYSA-N 428.536 5.074 30 20 IKED COC(=O)[C@@H](N[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1)c1cccc(C#N)c1 543505490 SLEWMUJQMUJDMU-RBZFPXEDSA-N 425.941 5.209 30 20 IKED C[C@@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 543943575 MLBGGWHTHLYEAZ-HXUWFJFHSA-N 442.563 5.185 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OC)c(OC4CCCC4)c3)n2)cc1 544155171 RIRSWDBRIPLNBL-HXUWFJFHSA-N 448.544 5.639 30 20 IKED C=C(C)Cn1c(SCc2nc(C(F)(F)c3ccc(F)cc3)no2)nnc1-c1ccco1 544505877 OLCJYAICNIIWLN-UHFFFAOYSA-N 447.442 5.069 30 20 IKED Cc1nc(C(F)(F)F)c(CN[C@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)s1 546800380 AXFXVSXFOHXHGC-LLVKDONJSA-N 438.315 5.762 30 20 IKED Cc1cc(C#N)cnc1C(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 550121342 JQEKORZQVPWPRQ-UHFFFAOYSA-N 444.878 5.401 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1Cl 554401069 KNTWACOIUZNBHD-PRSQMRJFSA-N 435.955 5.201 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ccc2c(C)cc(O)nc2c1 557496263 QGQKIMLTCRUBRI-UHFFFAOYSA-N 425.463 5.415 30 20 IKED COc1cc(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc(OC)c1C(C)C 557539944 UTLQOPAGKNQHBK-UHFFFAOYSA-N 432.480 5.530 30 20 IKED Cc1ccc(/C=C\c2nc(SCC(=O)Nc3ccccc3S[C@H](C)CC#N)n[nH]2)o1 561138859 XIDXFCUJJRNQJX-FJVVXJACSA-N 439.566 5.002 30 20 IKED Cc1c(CSC(C)C)cccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 569135867 MAANHWQWQASZAD-UHFFFAOYSA-N 441.572 5.723 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H]3c3ccc(Br)cn3)c2)cc1 573382495 LMKQHHDVHRCMLU-JOCHJYFZSA-N 448.320 5.485 30 20 IKED COc1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)cc1NC(=O)C1CCCCC1 579741474 PSKNXEOJLGLUJW-UHFFFAOYSA-N 447.560 5.861 30 20 IKED CCOC(=O)C(C)(C)C1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 583828889 AZLPKNRKGFSXFM-UHFFFAOYSA-N 436.577 5.151 30 20 IKED Cc1ccc(NC(=O)[C@@H](C)Sc2nc3c(cc2C#N)CCCC3)c(Br)c1 585688782 HWVQBXWKIUHGSQ-CYBMUJFWSA-N 430.371 5.022 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCN2CCCc3ccccc32)cc1 604439256 FUCBNBBLIDKWBL-UHFFFAOYSA-N 427.573 5.033 30 20 IKED C[C@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1c(Cl)cccc1Cl 604566166 HCLFWAKBZRRECF-NSHDSACASA-N 449.388 5.751 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(OCc4cscn4)c3)o2)cc1 609058929 CLLOFAUGJMWBQG-UHFFFAOYSA-N 431.473 5.018 30 20 IKED Cc1cc(C)n2nc(C)c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)c2n1 609062170 CDZIWCIPPHQQFH-UHFFFAOYSA-N 445.910 5.011 30 20 IKED Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609106343 LDFVFDDPCSVEOU-UHFFFAOYSA-N 427.435 5.492 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1nc(-c2ccccc2)cs1 609339403 NQDDGTSSIQGNEU-MRXNPFEDSA-N 441.516 5.752 30 20 IKED COc1ccc(CNC2CCC(Oc3ccccc3C#N)CC2)cc1OCc1cccnc1 609544904 YRGQMFWCWGSFKV-UHFFFAOYSA-N 443.547 5.021 30 20 IKED N#C[C@@H](NC(=O)CCOc1ccccc1-c1ccccc1)c1ccccc1Br 609591135 KBGNYBVLRYEBJZ-OAQYLSRUSA-N 435.321 5.266 30 20 IKED COc1ccc2c(c1)OCC[C@@H]2NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 610322772 XBMBZYSTTYJYDN-QHCPKHFHSA-N 429.476 5.313 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@@H](c4cc5ccccc5[nH]4)C3)n2)c(Cl)c1 611836309 UVBUNJJQEWWOQF-GOSISDBHSA-N 444.926 5.290 30 20 IKED O=C(c1cccnc1Nc1ccccc1F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618365774 MZTWNHQFRHKERS-VXGBXAGGSA-N 435.343 5.167 30 20 IKED N#C[C@@H](Sc1nnc(S[C@H](C#N)c2ccc(Cl)cc2)s1)c1ccc(Cl)cc1 619863826 IWHBGCJEZZQVAQ-HZPDHXFCSA-N 449.413 6.559 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3Oc3cccnc3)n2)cc1 623036497 BDFOIJHMKWOYMZ-HXUWFJFHSA-N 427.485 5.496 30 20 IKED N#C[C@@H](C(=O)c1cnccc1Oc1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 669693950 QUWGNFNLXNRWSG-HNNXBMFYSA-N 439.418 5.992 30 20 IKED N#C[C@H](COC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)Cc1ccc(F)cc1 726330081 YELGEYKQEBNPFZ-CQSZACIVSA-N 434.414 5.507 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)n(C)c2C)[n+]2ccc(C(C)(C)C)cc2)c1 726572679 IPTDUBQEFKPMDU-UHFFFAOYSA-O 444.624 5.532 30 20 IKED N#CCOc1ccc(CNC(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 727839627 KAXWFLYXFFDLJB-UHFFFAOYSA-N 432.427 5.053 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccccc1 729372190 AJAYRNNJJRYZBY-KRWDZBQOSA-N 445.466 5.144 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(C3CCC3)C2=O)c1 730461030 KGAMRTGXYMHUSK-FQEVSTJZSA-N 441.984 5.470 30 20 IKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nnn1-c1cccc2cnccc12 731165869 IGDZWPWGUZNVQC-DEOSSOPVSA-N 444.498 5.032 30 20 IKED Cc1ccc(CC(=O)Nc2cccc([C@H](C)OC(=O)[C@H](C)Oc3ccccc3C#N)c2)cc1 731302235 YKPITCDILLJVKF-PMACEKPBSA-N 442.515 5.120 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(CC2CC2)C(=O)N[C@@H]1c1csc(C2CC2)n1 731431161 XHIIGOMGPLURFN-LJQANCHMSA-N 427.957 5.151 30 20 IKED C[C@H](OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C(=O)Nc1ccccc1Cl 732380782 SWSMDFHNOGYFSI-INIZCTEOSA-N 434.879 5.382 30 20 IKED CC(C)OC(=O)C[C@H](/N=C\c1cc(Cl)cc(Cl)c1O)c1ccccc1[N+](=O)[O-] 732772335 XLLQKDYWUZOIRS-HNJRTNGCSA-N 425.268 5.109 30 20 IKED FC(F)Oc1cccc(Cl)c1C=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1 733081058 LTCQAZYAVFDZNY-UHFFFAOYSA-N 443.763 5.258 30 20 IKED CCN(CC)c1ccc(C=Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)c(O)c1 734749776 OXZNSKHVBDCDQK-UHFFFAOYSA-N 436.577 5.104 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cccc(-n3ccnc3O)c2)c1 735003586 HDTRWCJGIKPHAG-UHFFFAOYSA-N 430.851 5.148 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)/C=C\c2ccc3ccc(Cl)cc3n2)c1C 739669531 XLUBZENRBNPTMJ-XFXZXTDPSA-N 427.895 5.214 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)cc1NC(=O)Nc1ccccc1 741429185 DDONMJTWONJJKP-HXUWFJFHSA-N 446.894 5.254 30 20 IKED Cc1c(C(=O)/C=C/c2ccc(-n3ccc(C(F)(F)F)n3)cc2)cnn1-c1ccc(C#N)cc1 741845464 WYITTWOKLCXZFQ-IZZDOVSWSA-N 447.420 5.153 30 20 IKED C=CCn1c(SCc2ccc(OC)c(SC(F)(F)F)c2)nnc1-c1cccnc1 741851700 QEMUWGFKKHKOBH-UHFFFAOYSA-N 438.500 5.439 30 20 IKED C#CCN1CCC(C(=O)N2C[C@H](c3ccccc3Cl)c3c([nH]c4ccccc34)[C@H]2C)CC1 742275550 CGWLIRSHLWSIBN-XMSQKQJNSA-N 445.994 5.202 30 20 IKED N#Cc1cc(NC(=O)Nc2ccccc2Oc2cccc(F)c2)ccc1N1CCC(O)CC1 743119550 NPUVUIPJRBHRPD-UHFFFAOYSA-N 446.482 5.095 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)N1CCSc2ccccc21 743474958 OSKLJKMWCSFJQH-GOSISDBHSA-N 429.545 5.077 30 20 IKED COc1cc(/C=C/C(=O)N[C@@H](CCC#N)c2ccccc2)ccc1OCc1c(C)noc1C 749034190 HOCBJLGEEVPVLI-KHMHUBCMSA-N 445.519 5.054 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(OCc2ccccc2)c(OC)c1 749361390 ZKZDDNBIUYJKQC-UHFFFAOYSA-N 437.499 5.023 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2cccs2)nc2ccccc12 749362013 YYMWFOLVOKANCA-UHFFFAOYSA-N 434.524 5.712 30 20 IKED C#CCN(Cc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1)[C@@H]1CCc2ccccc21 750817174 KBPKLAIFTXNFAQ-HSZRJFAPSA-N 435.980 5.604 30 20 IKED O=C(COC(=O)c1cccc(C(F)(F)F)c1F)Nc1ccc(Cl)cc1C(F)(F)F 750981140 ZGGJHBKTBFYJQC-UHFFFAOYSA-N 443.702 5.312 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=S)NC34CC5CC(CC(C5)C3)C4)c2)cc1 750994095 HBMIBLLUQYXLFA-UHFFFAOYSA-N 431.605 5.587 30 20 IKED COc1cc(Cl)c(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1Cl 753923418 HYMHNPVKPIJRML-UHFFFAOYSA-N 427.744 5.421 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)cc1 754098735 CBWLGVUCPPBTMI-LGPLSSKUSA-N 437.543 5.123 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 760796070 QBMANVYNQWYNFC-UHFFFAOYSA-N 436.830 5.079 30 20 IKED COc1cccc(-c2nc(/C=C\C(=O)c3ccc(N4CCOCC4)cc3Cl)cs2)c1 762438106 KTBZOPHHLOQTPG-YVMONPNESA-N 440.952 5.205 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccc(Nc3ccccc3)cc2)nnc1-c1ccco1 764715428 DCDUYDUIYDAYRS-UHFFFAOYSA-N 445.548 5.589 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)C[C@@H](O)c1ccc(F)cc1 766021510 UIIIXCGZRAFITF-AVRWGWEMSA-N 447.510 5.219 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)cc1 767588571 UFXNJYBZMZVPQC-ZEQRLZLVSA-N 431.923 5.601 30 20 IKED N#CCOc1ccc(CN[C@@H](Cc2ccccc2Br)c2ccc(F)cc2)cc1 768225024 BRIRDMHMNXUEAV-QHCPKHFHSA-N 439.328 5.564 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H]2CCCc3c(Cl)sc(Cl)c32)ccc1OC 772978242 DZDHOMMGPFQSLC-HIFRSBDPSA-N 425.381 5.912 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nn(CN2CCC[C@@H]2c2csc(C)n2)c1=S 774590906 DOOZRLRINQKIES-HXUWFJFHSA-N 441.626 5.047 30 20 IKED CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 777299219 AUBWFMWZVBHWMX-XMHCIUCPSA-N 449.523 5.348 30 20 IKED Cn1cc(CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(-c2cccnc2)n1 779595858 PNQFBNHTDGAOLE-UHFFFAOYSA-N 429.911 5.198 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 780154423 RWXBYEOZXDDTAI-QRQCRPRQSA-N 441.314 6.043 30 20 IKED COc1cc(/C=C\C(=O)Nc2ccc(Cl)c(C#N)c2)ccc1OCc1c(C)noc1C 787112837 FKLMOMXZCYVJSM-UITAMQMPSA-N 437.883 5.056 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC(F)(c3ccccc3)CC2)c1=S 788372636 LSKSXQHEZOAQDD-UHFFFAOYSA-N 438.572 5.194 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 790965077 CDLSYPBMHPNEDL-LJQANCHMSA-N 447.457 5.366 30 20 IKED COc1ccccc1-c1csc(C2CCN(C(=O)/C=C/c3ccccc3C#N)CC2)n1 791238327 QVZWODGILOZXBK-ZHACJKMWSA-N 429.545 5.110 30 20 IKED C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1oc2ccccc2c1CSc1nc(C)cs1 798040265 IKDJKLPFOSGHTQ-HNAYVOBHSA-N 428.579 5.201 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(O)(c2ccccc2)CC1 802605078 ZIIAVJXIKUBLQM-JOCHJYFZSA-N 446.595 5.099 30 20 IKED C#CCN(Cc1ccccc1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 807250711 FDUOGOSGIAMSFZ-QFIPXVFZSA-N 430.470 5.018 30 20 IKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CC(C)(C)CCC#N)c1 807928851 JDAYUTMWAOQHNX-NRFANRHFSA-N 448.592 5.285 30 20 IKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813214691 CFPZWMBWMYLLMH-HNNXBMFYSA-N 436.231 5.072 30 20 IKED C=CC[C@@H](NC(=O)C(=O)Nc1ccc(-c2ccc(OC(C)C)cc2)cc1F)c1ccncc1 815537834 MIPLOOPZMNGZEL-HSZRJFAPSA-N 447.510 5.047 30 20 IKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)c1 837383676 OXCLGUCSUVTBGV-PGRDOPGGSA-N 444.560 5.112 30 20 IKED CCOc1cccc2cc(C(=O)/C=C\c3cc4ccccc4nc3N3CCOCC3)oc12 916130631 ZFNWVEVOPDYSER-KHPPLWFESA-N 428.488 5.112 30 20 IKED COc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c(F)c1 916141368 FZMXUUZSKUEQLM-YHYXMXQVSA-N 444.289 6.290 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(C3CC3)C2=O)c1 916211238 MTMQRHYYSDSOFE-IBGZPJMESA-N 427.957 5.080 30 20 IKED Cc1ccc(-c2nnc(S)n2N=Cc2cccc(NC(=O)c3ccccc3Cl)c2)cc1 916306489 MWLZLISRTFWKMW-UHFFFAOYSA-N 447.951 5.330 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)cc1 916678847 BWCUTWOSHYJLJW-HSZRJFAPSA-N 449.476 6.557 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)cc1OC 917779692 NUAYETWPWORPTD-YRNVUSSQSA-N 448.563 5.092 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(CC3CCCCC3)CC2)cc1 918034322 NWIMXBSBJOXLQR-AREMUKBSSA-N 430.596 5.462 30 20 IKED CN(Cc1cccc2ccccc12)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 918428568 MNTDBVATFJJWCR-AREMUKBSSA-N 433.511 5.092 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 920105531 HOFQKBBVLLECGT-LADGPHEKSA-N 448.478 5.136 30 20 IKED N#C[C@H](C(=O)CCCCc1ccc(Br)cc1)c1nc(-c2ccncc2)cs1 920268166 MMLKMCPJBPVORO-GOSISDBHSA-N 440.366 5.557 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccc(F)c(F)c3)cc2)CCC1 1788375771 QIBWYCNWCQLJME-UHFFFAOYSA-N 447.485 5.351 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccccc3)cc2)CCC1 1788735005 FUVNXEUQQQESSU-UHFFFAOYSA-N 438.531 5.046 30 20 IKED N#CCC(=O)NC1(c2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2)CCC1 1790620609 ARWXYYMNOJHSNW-UHFFFAOYSA-N 425.488 5.140 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc4ncccc4[nH]3)cc2)CCC1 1790840655 PNGFTIDTDBHFGD-FQEVSTJZSA-N 428.536 5.079 30 20 IKED C#CC(=O)Nc1ccc(C2(NC(=O)c3c(CC(C)C)oc4ccc(OC)cc34)CCC2)cc1 1791202001 GKEKNWVWNXMUKT-UHFFFAOYSA-N 444.531 5.021 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4c(F)cc(F)cc4[nH]3)CCC2)cc1 1791248065 QBPMVGRWTBVONL-HNNXBMFYSA-N 437.490 5.406 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)CSc3ccccc3)CC2)C1 1804859227 JNCOMQFTJNNINU-UHFFFAOYSA-N 428.642 5.002 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)n[nH]1 1818868636 AVIOSLOPLCLGAO-DZJZLKLXSA-N 440.975 5.071 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)n[nH]1 1818931461 PBXXIFMMMYDQOH-UDGWLPKNSA-N 426.605 5.221 30 20 IKED CC(C)=CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1820808402 QKKUQDXLKZREMG-GCJKJVERSA-N 433.556 5.089 30 20 IKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 1831566901 YQIXWIZDUMFTIV-HVCNVCAESA-N 428.661 5.262 30 20 IKED Cc1cccc(NC(=O)COC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1C 9073358 PZDJZZGYZBXTNT-UHFFFAOYSA-N 430.529 5.263 30 20 IKED COc1ccccc1N/C(S)=C(/C(=O)c1cc(C)ccc1C)[n+]1ccc2c(c1)CCCC2 10118282 AJBFSHHTPPPMGU-UHFFFAOYSA-O 445.608 5.529 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(O)c2)cc1C 11160582 NFCZMQDPLGEQTJ-UHFFFAOYSA-O 446.379 5.654 30 20 IKED C=CCN(C(=O)c1cccc(Br)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14724212 HIQXHIKGRRTEKM-UHFFFAOYSA-N 444.310 5.314 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(OCC)cc2)=C(/S)Nc2c(C)cccc2C)cc1 22693960 DRBMVOJVDYKPGS-UHFFFAOYSA-O 447.624 5.993 30 20 IKED Cc1ccc(N/C(S)=C(\C(=O)c2ccc(C)s2)[n+]2ccc(C(C)(C)C)cc2)c(C)c1 22729544 JAUUHDCVFNWRSR-UHFFFAOYSA-O 437.654 6.309 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ncc(-c2cccs2)o1 41648228 NTWNLQTUSKEOAV-UHFFFAOYSA-N 444.969 5.705 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(Br)cc1F 72025275 ACSAURKFFMVTKG-UHFFFAOYSA-N 425.257 5.813 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2)cc1Cl 195622722 LTJBYEXRPPNTHY-ISKFKSNPSA-N 443.934 5.239 30 20 IKED CC(C)CCOC1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 195654428 OFIJMSYBDRWWJB-UHFFFAOYSA-N 435.568 5.391 30 20 IKED O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(Cl)c([N+](=O)[O-])c1 208017338 CHQGPXVZHRGWPC-LUAWRHEFSA-N 444.878 5.451 30 20 IKED C=CCNC(=O)Nc1ccc(NCc2csc(-c3cccc(Br)c3)n2)cc1 236582632 RIMHGGYLXBBFDM-UHFFFAOYSA-N 443.370 5.492 30 20 IKED Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cnn1Cc1ccccc1 303005473 NPRVYPYCOAGJGF-UHFFFAOYSA-N 436.515 5.137 30 20 IKED Cc1ccc(-c2cc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c3c(C)noc3n2)cc1 303331923 JTWQBQBVCNEQFU-INIZCTEOSA-N 442.544 6.153 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 303341112 LOJAAJNEUIOUMY-AUSIDOKSSA-N 443.572 5.581 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Cl)cc(C(F)(F)F)c3)n2)cc1 426528060 ZLIUEMZBPVDLJR-MRXNPFEDSA-N 431.826 5.844 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)c1cc2ccccc2s1 426572078 YLKHNLRPIISIHH-INIZCTEOSA-N 441.512 5.381 30 20 IKED N#CCCn1ncc(C(=O)N[C@@H]2CCOc3c(-c4ccccc4)cccc32)c1-c1ccccc1 428904680 IFBJECYOSHWLDL-RUZDIDTESA-N 448.526 5.384 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1cc(Cl)ccc1N1CCSCC1)c1ccccc1 432817207 SOENSPVVUHQZLB-LJQANCHMSA-N 428.989 5.450 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1(OCc2ccccc2)CCOCC1 435056358 MEHKEUITSUEUCT-UHFFFAOYSA-N 442.515 5.364 30 20 IKED N#CCCn1cc(CN2CCc3ccccc3[C@H]2Cc2ccccc2)c(-c2ccncc2)n1 435129922 NJHMXDQTAWDXFH-HHHXNRCGSA-N 433.559 5.201 30 20 IKED C=CCn1c(SCC(=O)Nc2cc(C)c(OC)cc2C)nnc1-c1ccc(Cl)cc1 436382415 ABTTVUIMBFNAJK-UHFFFAOYSA-N 442.972 5.141 30 20 IKED CN(CCc1ccc(Br)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 438651805 NNVJDDVXXVFSHJ-UHFFFAOYSA-N 426.236 5.046 30 20 IKED N#CCC[C@H](NC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1ccccc1 438835232 BUHUSDBNUFHNSK-MHZLTWQESA-N 449.558 5.443 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1 444903352 XVDTYQOEFMTWOI-UHFFFAOYSA-N 431.540 5.130 30 20 IKED C[C@H](c1ccccc1)N1CC(=O)N(c2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1=O 445954477 BEZXTPNPCYAZAI-QGZVFWFLSA-N 445.906 5.320 30 20 IKED C=C(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(C#N)(COC)CC1 460369729 NHCKMVJEPQJVOP-UHFFFAOYSA-N 441.988 5.146 30 20 IKED C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CCC[C@@H]1c1ccc(C)s1 460806571 WQJWKDQFSGVZNQ-QZNHQXDQSA-N 434.609 5.811 30 20 IKED COc1cc2c(cc1NC(=O)c1cccc(Oc3cccc(Cl)c3C#N)c1)NC(=O)CC2 464272215 JWOUCPBLVOBCEK-UHFFFAOYSA-N 447.878 5.150 30 20 IKED C=C(C)CN1CCC(NC(=O)N[C@H](c2cccc(SC)c2)c2cc(F)ccc2F)CC1 465863929 RWAIRRAJMYKSOB-HSZRJFAPSA-N 445.579 5.116 30 20 IKED CC(C)(NC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F)c1nc(C(F)(F)F)cs1 466004297 JPVQKQZJLJILDQ-NSHDSACASA-N 429.361 5.139 30 20 IKED COCc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)o1 467372075 ZAZZDBGXBLOAQF-DEOSSOPVSA-N 445.519 5.554 30 20 IKED N#CCCCn1cc(C(=O)N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)c2ccccc21 469528824 JIDOTVSCXZVLFP-NDEPHWFRSA-N 440.591 5.073 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)NCC3(c4ccc(F)cc4)CCCC3)ccc21 470558058 BDQRRSYZGLKGRE-UHFFFAOYSA-N 448.542 5.042 30 20 IKED Cn1nc(C(F)F)c2cc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)sc21 470822973 VXQCNZLIYOSLEW-UHFFFAOYSA-N 438.459 5.275 30 20 IKED C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 473634819 ZMBOHXFJPKXOQE-AUMHUTNHSA-N 433.533 5.313 30 20 IKED CC(C)(C#N)c1ccc(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)cc1 474578177 OQHGPOUWATUJPV-UHFFFAOYSA-N 433.943 5.378 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 480186310 MUNGDEICEYSTIA-CLOONOSVSA-N 441.531 5.091 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3CCCOc4ccccc43)cc2F)c1 481570704 NXPMOALGWXKMHA-QFIPXVFZSA-N 431.467 5.312 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCc4c(F)cc(F)cc4C3)c2)cc1 483042710 DMIQNOJNSHLWSP-UHFFFAOYSA-N 433.458 5.200 30 20 IKED COc1ccccc1-c1csc(C2CCN(C(=O)Nc3cccc(C#N)c3C)CC2)n1 484534246 ZITHBMJJKLNAIQ-UHFFFAOYSA-N 432.549 5.410 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@H](CCCC#N)c1ccccc1 487346908 SVWJFUAHISAPNW-HXUWFJFHSA-N 439.968 5.849 30 20 IKED CCOc1ccc(-n2c(SCc3cccc(F)c3C#N)nnc2-c2ccncc2)cc1 488225079 VHEPLBXFOLVDRK-UHFFFAOYSA-N 431.496 5.031 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3nc(C)c(-c4ccc(Cl)cc4)o3)o2)cc1 489799620 UWDHPXJCVFWDIW-UHFFFAOYSA-N 439.924 6.211 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)cc1 493964429 CQOKEXDAOABJPY-ZWKOTPCHSA-N 437.259 5.015 30 20 IKED N#C[C@H](NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1c(Cl)cccc1Cl 499809281 GQTBSWNTMSBCID-HNNXBMFYSA-N 439.224 5.193 30 20 IKED Cc1ccc(C(=O)CCC(=O)CCC(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)s1 499852025 YVFBDCKKVKCNBK-INIZCTEOSA-N 437.348 5.057 30 20 IKED Cc1oc(-c2cccs2)nc1CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 501428370 YVORDGVNYUWDEJ-UHFFFAOYSA-N 443.528 5.538 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)Cc3csc(-c4ccccc4)n3)c2)cc1 501439834 YHIQJIIEQSNXMD-UHFFFAOYSA-N 439.540 5.636 30 20 IKED CN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 504038191 RJYWAVLOGJZYPJ-UHFFFAOYSA-N 437.902 5.788 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccc(F)c(F)c4)n3)n2)cc1 505716621 KELVXQOLFSCYGZ-OAHLLOKOSA-N 448.479 5.574 30 20 IKED CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(F)cc1OCC(F)(F)F 506860311 SZTPLQGSHWBAMI-UHFFFAOYSA-N 440.315 5.329 30 20 IKED CCOc1ccc(C2=CCN(CC(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)cc1 509488259 KUYFSFQQLWZSTE-LJQANCHMSA-N 435.593 5.065 30 20 IKED Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cc12 509560793 XYZNUCVYTOKNRO-QGZVFWFLSA-N 440.450 5.358 30 20 IKED CCN(C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)[C@H](C)c1ccc(C#N)cc1 509576602 XICLBOCQJLNTSP-MRXNPFEDSA-N 445.523 5.230 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCOc3c(Cl)cccc32)cc1 510606944 DLMDVYQPAKNACJ-QHCPKHFHSA-N 447.922 5.630 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)s2)cc1 512916254 HCJXCZKNHMWHLK-HNNXBMFYSA-N 435.524 5.047 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)c1 513226323 IGKZCXBRWGZYJE-UHFFFAOYSA-N 435.487 5.052 30 20 IKED N#Cc1c(SCC(=O)Nc2ccc(F)cc2Cl)nc2c(c1-c1ccco1)CCC2 514650555 LRGXMLCBTARHNP-UHFFFAOYSA-N 427.888 5.225 30 20 IKED COc1cc(C(=O)Nc2ccc(C#N)cn2)ccc1OCc1ccc(Cl)cc1Cl 518362170 TZJXSJUAEAMKMV-UHFFFAOYSA-N 428.275 5.100 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccccc3SCCC#N)c12 519405508 FDJUNJCETHJYQJ-UHFFFAOYSA-N 433.581 5.630 30 20 IKED CCN(CC)c1nc2sc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc2s1 519482641 ZIVIJIWFEXWCOX-NSHDSACASA-N 447.010 5.957 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N(Cc3ccccc3C(F)(F)F)C3CC3)cc2)nc1 520325452 RPTSXFBBFQRGBJ-UHFFFAOYSA-N 437.421 5.569 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 524216170 OAKFAETZZRBDLN-UTKZUKDTSA-N 428.001 6.741 30 20 IKED CN1CCC[C@@H](CNc2nc(C(F)(F)F)ccc2C#N)[C@@H]1c1ccc(C(F)(F)F)cc1 524230801 QIUGPEHEMBHROA-YJBOKZPZSA-N 442.407 5.486 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)o2)cc1 524384998 COXXLYVWWIUIMN-SFHVURJKSA-N 443.528 5.360 30 20 IKED Cn1ccnc1[C@@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccccc1 534142646 OGWPFUVOMJYTLP-QHCPKHFHSA-N 442.906 5.257 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)Nc1cccc(O)c1F 534285965 FJGUTUVGDYWLSA-UHFFFAOYSA-N 425.485 5.122 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)CCC1CCN(c2ccncc2)CC1 538949810 PXISACGPFWNQRK-IBGZPJMESA-N 437.613 5.246 30 20 IKED C[C@H](NC(=O)C1CCC(NC(=O)C2CCCC2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 543857321 FDWZOTYWCDMUGY-VRXIZKAYSA-N 443.591 5.268 30 20 IKED CCCc1nc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)no1 543980356 ANQRHUCBUTZWPI-ZDUSSCGKSA-N 435.290 5.453 30 20 IKED C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 549639400 LIFYLAFZCIGDPT-KRWDZBQOSA-N 426.952 5.065 30 20 IKED N#Cc1ccc(-c2nnc(N3CC[C@@H](c4ccc(Cl)cc4)C3)n2C[C@@H]2CCCCO2)cc1 549998864 XOUUVWQOBWXDST-GGAORHGYSA-N 447.970 5.033 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)cc1 551598644 JYBMVQCJQYPJIL-DEOSSOPVSA-N 427.504 5.277 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CC[C@@H](OCc2c(C)noc2C)C1 558998612 URWWHLKMVNDXFB-HSZRJFAPSA-N 443.551 5.075 30 20 IKED CC(C)c1nc(C2CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CC2)no1 560931537 QIDCMEVCPSWDAT-UHFFFAOYSA-N 434.471 5.016 30 20 IKED CCC[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccc(F)cc1F 561603551 VGYNWDJQTSFWGO-NRFANRHFSA-N 431.458 5.070 30 20 IKED Cc1sc2ncnc(Sc3ccccc3C(=O)N[C@H](C)c3ccc(C#N)cc3)c2c1C 603510466 YYMWQVVYFIFZEP-OAHLLOKOSA-N 444.585 5.822 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(CN4CCCCC4)cc3)cn2)cc1 603690825 RJNLLLAZEGJPPR-UHFFFAOYSA-N 441.535 5.053 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccccc3N3CCCC3)cc2F)c1 609123877 TZLCMAJRWZSSMT-UHFFFAOYSA-N 444.510 5.198 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cc1 609205678 QDUDNJWUEKCFAX-HXUWFJFHSA-N 434.540 5.949 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(Cl)cc2cccnc12 609388757 IPXJCKHMGYRNAK-HNNXBMFYSA-N 442.009 6.012 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N[C@@H](C#N)c3ccccc3Br)c2)cc1 609593342 VFIZPRPAWRELGE-NRFANRHFSA-N 432.277 5.108 30 20 IKED CCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)[C@H](C)c1cccc(O)c1 609845048 XZEDREIBIZLVGV-LJQANCHMSA-N 429.520 5.766 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc2c(nc1O)CCCCC2 609970044 MYAAXYWRCODJDL-UHFFFAOYSA-N 427.504 5.068 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)NCc3cccc(OCc4ccccn4)c3)c2)cc1 609991286 PLPFADAVDOSCAK-UHFFFAOYSA-N 434.499 5.206 30 20 IKED Cc1ccc(-c2csc3ncnc(SCC(=O)N[C@@H](C)c4cccc(C#N)c4)c23)cc1 610361275 XMHODGYFKWYDST-INIZCTEOSA-N 444.585 5.508 30 20 IKED N#Cc1ccc(CNC(=O)N(Cc2cccc(Br)c2)CC2CC2)cc1Cl 619769423 XNNRZUDREUANKK-UHFFFAOYSA-N 432.749 5.096 30 20 IKED N#C[C@@H](C(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 642282041 GHVKPOYEWPJSET-SJORKVTESA-N 446.450 5.363 30 20 IKED Cc1onc(-c2ccccn2)c1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 675908650 WBCBOLJYAKYICT-LBPRGKRZSA-N 428.395 5.164 30 20 IKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccccc2C)cc1 726571288 QTLQFWOTRMQYLP-UHFFFAOYSA-O 434.972 5.693 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)c(Cl)c2)[n+]2ccc(C)cc2)c1 726572640 GVEVLMJTNXBIKB-UHFFFAOYSA-O 440.375 5.894 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2cccc(NC(=O)CCCc3cccs3)c2)cc1 726940186 MSFCFVKOZIGSEB-UHFFFAOYSA-N 431.561 5.578 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)NC12CC3CC(CC(C3)C1)C2 727979317 ZHUFVFQVHWHCAE-UHFFFAOYSA-N 431.605 5.701 30 20 IKED N#CCOc1ccc(CNC(=O)Nc2ccc(Oc3cccc(F)c3)c3ccncc23)cc1 728393399 VIPDVEBCVBOFKE-UHFFFAOYSA-N 442.450 5.390 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(OC2CCCC2)c1 731288444 VMAXFKNJCKLKEE-HSZRJFAPSA-N 440.499 5.761 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC(c4cc5ccccc5[nH]4)CC3)cc2)cc1 731983092 RULLRGJKIPJOTO-UHFFFAOYSA-N 435.527 6.046 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)ccc1OC 733640903 DCLHMHNLIHBLMP-UGKGYDQZSA-N 429.948 5.226 30 20 IKED CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1 733654172 PKHHNZRWQJNCJE-VJBWXMMDSA-N 435.568 5.244 30 20 IKED FC(F)(F)c1cc(NN=C(CC2CCCCC2)c2ncccn2)nc(-c2ccccn2)n1 733904196 WWZZMOCAUCSGKW-UHFFFAOYSA-N 441.461 5.134 30 20 IKED Cc1cccc(COc2cccc(CC(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)c2)c1 734083042 KZNVLIXRELCFGA-HSZRJFAPSA-N 439.540 5.512 30 20 IKED CC(=O)Oc1ccc(-c2ccc(C(=O)OCc3cc(Cl)ccc3OCC#N)cc2)cc1 735337667 NLZYIAAGZQSARX-UHFFFAOYSA-N 435.863 5.192 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cc(C)ccc2SCC(F)(F)F)c1 737026745 KLQDWSKUDUMMRG-MRXNPFEDSA-N 437.487 5.652 30 20 IKED N#C[C@@H](C(=O)CCCc1nc(C2CC2)no1)c1nc(-c2ccc(Cl)cc2Cl)cs1 740536436 SQNWZBAHZGVZLU-AWEZNQCLSA-N 447.347 5.576 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1C(F)(F)F 744035618 SBKGQSGISMJILY-LRDDRELGSA-N 434.870 6.462 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl 746323553 KZDVFAIDMCDUMR-UHFFFAOYSA-N 440.290 5.054 30 20 IKED N#Cc1cc(NC(=O)c2ccccc2OCc2ccc(F)cc2)c(Cl)c([N+](=O)[O-])c1 746482396 RZPNOXDHNJLDMW-UHFFFAOYSA-N 425.803 5.090 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1cnn(-c2ccccc2)c1)C(=O)c1ccccc1 747150629 RQGFJHYTBMPJBP-ITYLOYPMSA-N 449.554 5.902 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC(OC3CCCCC3)CC2)c1=S 747797458 FFODVIWKBLOQDC-UHFFFAOYSA-N 442.629 5.047 30 20 IKED CN(C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C1CCC(NC(=O)OC(C)(C)C)CC1 749444491 WKOLURHRCUOHHG-UHFFFAOYSA-N 448.567 5.210 30 20 IKED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)CCc3ncc(-c4ccc(Cl)cc4Cl)o3)nc12 750730689 QTJLVABMRPNCCI-AWEZNQCLSA-N 440.290 5.037 30 20 IKED COc1ccccc1OC[C@@H](C)CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 763933037 XMTDOZVNZBJEJQ-CVDCTZTESA-N 429.520 5.187 30 20 IKED CC(C)(CC#N)COC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 764833077 AZOUHOMJAXCADD-NSKAOLIHSA-N 425.413 5.592 30 20 IKED C=CCNc1ncc(C(=O)O[C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)s1 770109462 ZBHNFYIFAVEFTP-VIFPVBQESA-N 425.297 5.016 30 20 IKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(COC(=O)C#Cc2ccccc2)cs1 773446494 DSENRDRCEQRSJO-UHFFFAOYSA-N 445.327 5.229 30 20 IKED COc1cc(/C=C(\C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c2ccccc2)ccc1O 773558815 IXYRVQMODXPIIP-UQQQWYQISA-N 436.511 5.129 30 20 IKED CC(C)(c1ccc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C(F)(F)F 774053615 OZCRKQYPXCCPFZ-INIZCTEOSA-N 443.252 5.794 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2nc3c(cc2C#N)CCCC3)c(Cl)c1 776349189 GXVIJHWFLGLTCM-UHFFFAOYSA-N 426.904 5.085 30 20 IKED CCCN(C(=O)Cc1ccc(OCC#N)cc1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 776967010 SGVWUSBQYPIANR-AREMUKBSSA-N 431.511 5.002 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(C2(C#N)CC2)cc1 778026940 CDLDYIQKBQGZQG-JOCHJYFZSA-N 431.536 5.396 30 20 IKED Cc1sc2nc([C@H](C)OC(=O)c3ccccc3Oc3ccccc3C#N)nc(O)c2c1C 778177776 LHXXSSQCDKDQJE-AWEZNQCLSA-N 445.500 5.596 30 20 IKED N#C[C@@H](C(=O)CCc1nc2ccccc2n1-c1ccccc1)c1nc(-c2ccncc2)cs1 778302771 KACONBSJQPOTSH-FQEVSTJZSA-N 449.539 5.353 30 20 IKED C#CC[C@@H](NC(=O)NCc1cc(-c2c(OC)ccc3ccccc23)no1)c1ccccc1 778717061 MCSOQGAZENNEHQ-JOCHJYFZSA-N 425.488 5.067 30 20 IKED C=CCCN(OCc1ccccc1)C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 782778503 WUUOKTGVVLQPDL-HKBQPEDESA-N 434.561 5.536 30 20 IKED CC(C)OCc1ccc(C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 787053713 RJDDFJAJCQJBFN-IFXJQAMLSA-N 433.335 5.118 30 20 IKED CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1Cl 799220596 FHVRQDODCPKLDP-MRXNPFEDSA-N 440.327 5.113 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 806200216 AELIVEVWTCEUJJ-RUZDIDTESA-N 427.552 5.730 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)s1 810576152 OZFUKXZVYWXVGM-GFCCVEGCSA-N 431.514 5.358 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)cc1 813441775 RTBDBPHBBNRIMY-UHFFFAOYSA-N 429.542 5.079 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)c1 813641702 JQVZCAULMFVVIO-RXVVDRJESA-N 429.973 5.097 30 20 IKED C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(N2CCCOC2=O)cc1 814303775 BRTIQAUPRKQTAO-HXUWFJFHSA-N 441.531 5.335 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)S1 817916357 XGLPWYWGUZQALT-UNOMPAQXSA-N 435.530 5.832 30 20 IKED N#Cc1ccc(Br)c(CNc2cccc(COCCOc3ccccc3)c2)c1 864005096 HHHPTCYQONEGGY-UHFFFAOYSA-N 437.337 5.528 30 20 IKED O=C(COc1ccc(C(=O)/C=C\c2ccc(Cl)c([N+](=O)[O-])c2)cc1)Nc1ccccc1 916127639 CEUMMUHKEMVJNK-QPEQYQDCSA-N 436.851 5.162 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3cccc(Br)c3)n2)cc1 916627463 WPOMGLXHKLWOEI-QGZVFWFLSA-N 427.323 5.136 30 20 IKED CCOc1ccccc1OCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916627926 DHEXRFFPMYYZNK-GOSISDBHSA-N 440.952 5.898 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 916902974 JKMQYWHTUVBLOZ-ZHRRBRCNSA-N 427.548 5.379 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 916925426 JUGZJXPHURTJKT-BPOBUFBUSA-N 434.492 5.314 30 20 IKED N#C[C@@H](C(=O)COc1ccc(Br)cc1Cl)c1nc(-c2ccccc2)cs1 917026181 XFSVXCXULDFDCS-AWEZNQCLSA-N 447.741 5.481 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)/C=C\c2cc(C)n(C3CCCCC3)c2C)n1 920328024 SPIUXGBYDWWSTC-OEIFXAAASA-N 425.554 5.133 30 20 IKED COc1cc(Br)c(/C=C/C(=O)c2ccc(OCC(F)(F)F)cc2)cc1O 920481030 RJKSISXRNWTLNA-QPJJXVBHSA-N 431.204 5.001 30 20 IKED CCCc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920807093 XPGPFPBTCQHRFB-QGZVFWFLSA-N 438.499 5.880 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(N5CCCCC5)cc4)CCC3)cc2)C1 1785810266 IUDDXEMGQCLPGS-UHFFFAOYSA-N 443.591 5.391 30 20 IKED Cc1oc(C(C)(C)C)cc1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)c[nH]3)cc2)CCC1 1790143988 WNCJPAGOSXRTSK-UHFFFAOYSA-N 444.535 5.147 30 20 IKED Cc1ccoc1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790767167 LVEICQIPNXKOLS-UHFFFAOYSA-N 433.895 5.175 30 20 IKED CC[C@H]1CC[C@H](C(=O)Nc2ccc(C3(NC(=O)[C@H](C)ON=C(C)C)CCC3)cc2)CC1 1791464524 MRBRODKASKUDTD-UFYCRDLUSA-N 427.589 5.138 30 20 IKED COC1(CC(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)CCC1 1792124423 XTGMXCGKIOAOPA-IBGZPJMESA-N 445.563 5.021 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(CCC)cc2)[C@@H]1c1cccnc1 1812031785 YXVXWEQIBWYBDH-CYXNTTPDSA-N 445.607 5.122 30 20 IKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 1823889903 LHKYWZHZNVFCSM-RUZDIDTESA-N 443.591 5.137 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CSC2CCCC2)CC1 1824140031 VMXVHNWZOVKUNN-QHCPKHFHSA-N 432.674 5.050 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(F)c(Cl)c2)CC1 1832690819 PMXFHJYOECAVTB-YWZLYKJASA-N 438.946 5.064 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1sc2ccccc2c1Cl 1847264991 YKKFSCAVAWQXTK-IRXDYDNUSA-N 431.001 5.363 30 20 IKED COc1cccc(-c2nc(COC(=O)c3cc(C4CC4)nc(SC)c3C#N)cs2)c1 10711811 XMWMAABXJAVORF-UHFFFAOYSA-N 437.546 5.042 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OCC(=O)N(C(C)C)C(C)C 15349054 CSIBVACDUZUABW-YRNVUSSQSA-N 445.506 5.284 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COC(=O)c2cccc(C#N)c2)cs1 23567157 SJGCZLKLVUHHFE-UHFFFAOYSA-N 445.422 5.075 30 20 IKED CC(C)c1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cnn1-c1ccc(F)cc1 24784214 WUVYDRXVBCOJQK-UHFFFAOYSA-N 445.523 5.306 30 20 IKED Cc1ccc(Sc2ccc(/C(O)=N/c3nnc(C(F)(F)F)s3)cc2[N+](=O)[O-])cc1 29282921 XSUVVAQFTWETDG-UHFFFAOYSA-N 440.428 5.561 30 20 IKED COc1ccc(C)cc1C(=O)/C=C/c1csc(N(C(C)=O)c2ccc(F)cc2F)n1 58304181 WZVHRLGPYZCKFM-SOFGYWHQSA-N 428.460 5.319 30 20 IKED Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 60691412 UGEOJLKYUYRJTQ-UHFFFAOYSA-N 425.488 5.047 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C 105917005 WBJHNISTVYCVHE-UHFFFAOYSA-N 437.547 5.603 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[C@H](C)CC)nnc1-c1ccccc1F 195569458 SNZGTMHRYZHRMX-SJORKVTESA-N 438.572 5.903 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCN(c2ccccc2)CC1 195636140 DNVIGWJZWGCPMB-UHFFFAOYSA-N 426.520 5.403 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1nc2ccccc2s1 409464624 KPCGJBWFADIDRB-UHFFFAOYSA-N 434.334 5.096 30 20 IKED CN(c1ccc(C(F)(F)F)cc1Cl)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 410342627 MTZCXJXOAACCAC-UHFFFAOYSA-N 442.768 5.074 30 20 IKED COc1cc([C@@H](C)NC(=O)N[C@@H](CCC#N)c2ccccc2)ccc1OCc1ccncc1 438840522 NDMQMTIYGQZSPM-XXBNENTESA-N 444.535 5.074 30 20 IKED C[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 440085462 ATJSNLMMRYZODF-UUOWRZLLSA-N 444.510 5.483 30 20 IKED CC(C)CCOc1ccc(NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 440999741 LTWNPRVLPYIZRT-QGZVFWFLSA-N 425.554 5.083 30 20 IKED C=CCC[C@H](NC(=O)NCC(=O)Nc1c(C)cccc1C)c1ccc(C(F)(F)F)cc1 441536737 YGFZSJIWZXTAAJ-IBGZPJMESA-N 433.474 5.267 30 20 IKED Fc1ccc(-c2cc(CN[C@@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)on2)cc1 444740100 VMUSZYMEBRJXPW-SFHVURJKSA-N 432.339 6.283 30 20 IKED C=CCN(C(=O)c1cc(-c2ccc(F)cc2)c(C)s1)c1nc(C(=O)OCC)cs1 445911216 BCNRTWFJXMFKKF-UHFFFAOYSA-N 430.526 5.329 30 20 IKED N#C[C@H](NC(=O)CCC(=O)c1cc(Cl)sc1Cl)c1cccc(C(F)(F)F)c1 446049138 YLBHTIJPYAFGOP-LBPRGKRZSA-N 435.254 5.418 30 20 IKED CC(C)c1ccc2ncc(C#N)c(N3[C@H]4CC[C@H]3CC(N(C)C(=O)c3ccccc3)C4)c2c1 447670252 LZWKDRUVFSPWOL-GOTSBHOMSA-N 438.575 5.502 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1cccc(-c2nnc(C)n2C)c1 448406746 LRARFNRQBFNWAH-UHFFFAOYSA-N 438.491 5.407 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)CCc2nnc(-c3ccccc3)o2)c1 460338504 KBQKSIWFEJNKLG-UHFFFAOYSA-N 442.906 5.428 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)Cc2csc(-c3cccnc3)n2)c1 460339907 QFKKYMLOILVEQJ-UHFFFAOYSA-N 444.947 5.506 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 460378356 XGXCVLKATNXTAO-IBGZPJMESA-N 443.526 5.299 30 20 IKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cccc1N1CCNC1=O 460720972 QMPVDRACSTVSDG-OAQYLSRUSA-N 444.922 5.086 30 20 IKED Cc1nc(Sc2nnc(-c3ccc(F)cc3)n2Cc2ccco2)c(Cl)cc1C#N 461963327 FXAIRQYBVKRYNK-UHFFFAOYSA-N 425.876 5.105 30 20 IKED Cc1nnc(-c2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cc2)o1 462108338 FCXOHRJCVQILDV-OAQYLSRUSA-N 428.879 5.606 30 20 IKED CCN(C(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)[C@@H](C)c1ccc(C#N)cc1 463136648 GGSYOFXOYJUUGC-KRWDZBQOSA-N 440.478 5.638 30 20 IKED Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1c(F)cc(C(F)(F)F)cc1F 463606853 PKGXLQGAJLWUJA-UHFFFAOYSA-N 431.311 5.067 30 20 IKED C=CCOc1cc(OC)ccc1C(=O)NCc1cc(-c2c(OC)ccc3ccccc23)no1 463687651 CGKSZDGGKGMEJW-UHFFFAOYSA-N 444.487 5.007 30 20 IKED C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1nc(-c2cccc(F)c2)no1 464933350 RTRFYXUMSANNKT-OAHLLOKOSA-N 444.491 5.390 30 20 IKED Cc1ccc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)c(OC[C@@H]2CCCO2)c1 467470632 VYJHTZDJBXVLKZ-QUCCMNQESA-N 439.581 5.126 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C 470643347 VOMRPHMPJQDBRC-UHFFFAOYSA-N 442.485 5.050 30 20 IKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2Cl)cc1 471425263 SJRKQFJUNXZSBX-UHFFFAOYSA-N 438.936 5.337 30 20 IKED N#Cc1ccc(-c2nnc(CNc3ccc(Oc4ccc(Br)cc4)cc3)o2)cc1 471622320 VXDJRVMMASFZCX-UHFFFAOYSA-N 447.292 5.775 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2csc(-c3cc(Br)cs3)n2)n1 474440615 ZPKVTCYYBZPXHS-JTQLQIEISA-N 438.397 5.704 30 20 IKED N#CC[C@@H](CC(=O)Nc1nnc(-c2cc(Br)ccc2F)s1)c1ccccc1 475763186 XRJGOBNCGZQKEY-ZDUSSCGKSA-N 445.317 5.133 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 476077346 DAAHIKZFGIMRMF-IBGZPJMESA-N 440.609 5.211 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2c(F)cc(F)cc2F)nc2cc(Cl)ccc2c1=O 476613030 MVPRBBOHOHNJRS-SNVBAGLBSA-N 438.858 5.017 30 20 IKED N#CC[C@@H](CC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccccc1 476896154 ZZHJFYCXFZBDTO-WMZOPIPTSA-N 428.376 5.903 30 20 IKED Cn1cc(CNCc2ccc(Oc3ccccc3F)c(F)c2)c(-c2ccc(C#N)cc2)n1 478354894 VYYJHRYBNIYSHU-UHFFFAOYSA-N 430.458 5.319 30 20 IKED COc1cc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c(OC)c(C)c1OC 478639625 ZXTIACXLSNCWCP-UHFFFAOYSA-N 434.517 5.296 30 20 IKED CCc1ccc([C@H]2COCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)o1 480314347 MDWSZKXFXGHYTA-XMMPIXPASA-N 445.519 5.092 30 20 IKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)Cc1ccc(C#N)cc1Br 481066995 AKWUXYIRRDPGPA-UHFFFAOYSA-N 445.748 5.436 30 20 IKED C=CCn1c(SCC(=O)N(Cc2ccccc2)C(C)(C)C)nnc1-c1cccs1 481390037 BQSZKXNGTWQIKA-UHFFFAOYSA-N 426.611 5.112 30 20 IKED C=C(C)[C@@H](NCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)c1ccc(F)c(F)c1 481598551 VRTDQWKSOSTTFN-JOCHJYFZSA-N 441.503 5.124 30 20 IKED Cc1nc2ccccc2n1C1CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 482907823 ZFNXMSSGPWFQMF-SFHVURJKSA-N 447.608 5.015 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Br 483324238 LURDHFRHRRDAFE-UHFFFAOYSA-N 447.251 5.163 30 20 IKED N#CCCN(C(=O)c1cccc(OCc2ccc(Cl)cc2)c1)c1ccc2c(c1)OCCO2 486295197 VOEMACZAEKEHGR-UHFFFAOYSA-N 448.906 5.251 30 20 IKED COc1nc(C)c(Br)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 487003169 WVBKARIYJQSTGX-HNNXBMFYSA-N 442.338 5.083 30 20 IKED COc1ccc(-c2nc(CSc3nc(C(F)(F)F)ccc3C#N)cs2)c(OC)c1 488736557 RGAUILASMFFAAO-UHFFFAOYSA-N 437.468 5.405 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)N[C@H](c3ccc(F)cc3)C(C)C)o2)cc1 489788641 HQONDTVTNQEFBJ-NRFANRHFSA-N 441.528 5.046 30 20 IKED C=CCN(CCc1ccco1)C(=O)Nc1c(C)c(C)nn1-c1ccc(Br)cc1 493809165 KZTLMFHIBOLPRF-UHFFFAOYSA-N 443.345 5.107 30 20 IKED CCc1nc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nn1-c1ccccc1Cl 499212147 PEUJTCMFFZDRCZ-HNNXBMFYSA-N 433.924 5.097 30 20 IKED COc1ccc(SCCC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 505698525 YEJNTIVDWKSITG-UHFFFAOYSA-N 434.517 5.489 30 20 IKED CC(=O)N(c1nc(CSc2nnc(C)c(C)c2C#N)cs1)c1c(C)cc(C)cc1C 511889754 KBUVQKMBWXDVDL-UHFFFAOYSA-N 437.594 5.324 30 20 IKED Cn1c([C@H](C#N)C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)nc2ccccc21 513667252 RXYZAHIWOXWWSM-LJQANCHMSA-N 435.405 5.874 30 20 IKED CC(C)(C)O[C@@H](C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccccc1 513851065 IKOZIWAKXKZHJK-HSZRJFAPSA-N 427.504 5.305 30 20 IKED Cc1ccc(-c2nc(CCNC(=O)c3cccc(COc4ccccc4C#N)c3)co2)cc1 514246822 QVGZCHRGQRGFGE-UHFFFAOYSA-N 437.499 5.073 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)COc1ccc(Oc2ccccn2)cc1 515451709 IYBMKIAZYBZNBP-UHFFFAOYSA-N 427.485 5.492 30 20 IKED Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)N1CCC(C#N)(c2ccccn2)CC1 517091412 SQKITYLABHYXJL-NRFANRHFSA-N 430.577 5.002 30 20 IKED CC(C)Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)C2CC2)cc1 518151566 PIBNUFCPCGIEFN-HOYKHHGWSA-N 449.620 5.343 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1Cl 520515379 XVLLNRADZCFMSC-URXFXBBRSA-N 444.966 5.241 30 20 IKED N#C[C@H](NC(=O)c1cc2c(OC(F)F)cccc2[nH]1)c1ccc(OCc2ccccc2)cc1 520538040 XDTRWOQVEZXONU-QFIPXVFZSA-N 447.441 5.343 30 20 IKED C[C@H]1CCCCN1Cc1ccc(CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 521108104 SKUCSGJGKLLMGX-FQEVSTJZSA-N 440.547 5.050 30 20 IKED CN(CCC1CCCCC1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 522526922 KPFIAXIJXPNAAE-QFIPXVFZSA-N 437.971 5.363 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C 524187409 XVQRLJWXNWCDRW-UHFFFAOYSA-N 428.458 5.558 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 524422839 IJSBBXPYSHDTOB-UHFFFAOYSA-N 426.432 5.088 30 20 IKED CN1CCC(C#N)(NC(=O)c2cccc(CSc3c(Cl)cccc3Cl)c2)CC1 524646495 PIYJCGBWDDPPMP-UHFFFAOYSA-N 434.392 5.003 30 20 IKED N#Cc1cccc(COc2cccc(CNc3ccc(CCC(=O)N4CCCC4)cc3)c2)c1 532729034 KFEJGKPUZVOJKK-UHFFFAOYSA-N 439.559 5.304 30 20 IKED N#Cc1cccc(COc2cccc(CNc3ccc(Cc4nnc5ccccn45)cc3)c2)c1 533211128 DZLKJPVENMFWKC-UHFFFAOYSA-N 445.526 5.383 30 20 IKED CC(C)Cn1ncc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1C(F)F 534209268 NHEGACMFDORQKW-UHFFFAOYSA-N 426.492 5.752 30 20 IKED CC(C)(C)c1cc(NC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)c(C#N)s1 536972906 XLIHUXUDNGAXKD-UHFFFAOYSA-N 438.574 5.143 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)N[C@H](C)c1cccc(C#N)c1 537295679 NKKPEPGRJCITSG-KGLIPLIRSA-N 426.383 6.165 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)N[C@H](C)c1cccc(C#N)c1 537295874 NKKPEPGRJCITSG-ZIAGYGMSSA-N 426.383 6.165 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](Cc1ccccc1)c1cccs1 541594120 QDMMWSWEBYXPOA-WIYYLYMNSA-N 435.618 5.654 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(CN2CCCC2)cc1 547763965 WXJIWEAMPYLOTP-UHFFFAOYSA-N 425.532 5.294 30 20 IKED C[C@@H](NC(=O)N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)c1ccc(C#N)cc1 548183339 XNFSBZRPSOFJPZ-BDJLRTHQSA-N 431.336 5.121 30 20 IKED CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@@H](c1ccccc1)c1ccc(F)cc1 550412060 DFRIZORNWJCRMP-FQEVSTJZSA-N 427.401 5.363 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2CC)nnc1-c1ccc(Cl)cc1 553804525 OOVLHUDPNRKXFX-HNNXBMFYSA-N 426.973 5.466 30 20 IKED N#CC1(c2ccccn2)CCN(c2ccc3c(Br)ccc(Cl)c3n2)CC1 554522665 LMFJBUIFWLCBAR-UHFFFAOYSA-N 427.733 5.107 30 20 IKED Cc1csc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)c1C#N 554774344 GRILEBCRBYHKGO-UHFFFAOYSA-N 449.536 5.046 30 20 IKED N#Cc1ccc(CNc2cccc(C[S@@](=O)Cc3ccccc3)c2)c(C(F)(F)F)c1 554972418 YBSISLOXXNUXJX-PMERELPUSA-N 428.479 5.638 30 20 IKED C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1cccs1 559167928 BUNFRDLTNKTYKU-KRWDZBQOSA-N 447.539 5.175 30 20 IKED Cc1cc(Sc2ccccc2)ccc1NC(=O)C(=O)N[C@@H](CCCC#N)c1ccccc1 560281359 OVHNWKZJRXDFOU-DEOSSOPVSA-N 443.572 5.636 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccncc1OCCC(C)(C)C 561799354 JKFLUMHWRRVNMH-KRWDZBQOSA-N 426.586 5.613 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CC=C(c4ccccc4Cl)CC3)cc2)ccn1 571693929 CYMGBCNLCVMYTE-UHFFFAOYSA-N 430.895 5.720 30 20 IKED N#Cc1cc(C(=O)N2CCC(c3c(Cl)cccc3Cl)CC2)cnc1C(F)(F)F 574932875 QOYFYEREFSSTRU-UHFFFAOYSA-N 428.241 5.299 30 20 IKED C=C(C)COc1cc(CN[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)ccc1OC 576772094 BJJRAVZCOFXPHR-DEOSSOPVSA-N 449.513 5.926 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H](c3cccc(F)c3)C2)cc1 578563382 YSHRDXBDPDULSK-IBGZPJMESA-N 431.467 5.520 30 20 IKED Cn1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1Cc1ccccc1 583479878 HNBXQJHIKWMTHP-GOSISDBHSA-N 432.936 5.278 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)NC[C@H](Cc3ccccc3)C(F)(F)F)s2)cc1 589315004 YAZZROKNADSNDI-SFHVURJKSA-N 444.482 5.148 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)c(Cl)c1 589959542 QKPDLEVTPABFBP-UHFFFAOYSA-N 448.313 5.424 30 20 IKED C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccc(OC(F)F)cc1 603649116 XPHZMQRNDNUIEY-ZDUSSCGKSA-N 428.464 5.090 30 20 IKED Cc1nc(-c2cccc(NC(=O)CNc3ccccc3Oc3ncccc3C#N)c2)cs1 604007711 UZGMDNYEHGYNIL-UHFFFAOYSA-N 441.516 5.228 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1 604456188 GLYJZEYNAVDERC-UHFFFAOYSA-N 447.520 5.021 30 20 IKED Cc1ccc(Nc2cccc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2)nn1 606145742 KELMDBGENKNPRN-MRXNPFEDSA-N 447.470 5.420 30 20 IKED CC[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C1CCCCC1 608797518 XVYOWNHTRGLREI-JTHBVZDNSA-N 437.971 5.409 30 20 IKED Cc1nc(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)nn1-c1ccc(F)cc1 609151873 YCGZBZIPLKBAPW-UHFFFAOYSA-N 445.885 5.087 30 20 IKED C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)CSc1ccc(C#N)cc1 609192334 RTAGJTVOIJWKEB-BLVKFPJESA-N 433.396 5.012 30 20 IKED Cc1nc(CSc2ccccc2C(=O)Nc2ccccc2SC[C@H](C)C#N)cs1 609376622 GFDWFYBCXLHUFH-OAHLLOKOSA-N 439.631 6.248 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 609377135 PKNCYDNRKDTTGP-IRXDYDNUSA-N 436.606 5.403 30 20 IKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 609504119 XIMJRUKSEDFUJG-HXUWFJFHSA-N 449.510 6.446 30 20 IKED Cc1ccccc1C[C@@H]1CCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 609636098 PQMQKAKOCOQSLI-VWLOTQADSA-N 438.531 5.358 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N(Cc2ccco2)C[C@H]2CCCO2)c1 609725135 HOAQNHJGBPSWLM-HXUWFJFHSA-N 436.895 5.418 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccccc2CSc2nc[nH]n2)cc1 609987181 IFECZELANIPRKF-UHFFFAOYSA-N 427.489 5.013 30 20 IKED COCCOCc1cccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1 611183353 QAKNOPHZZIGXAW-UHFFFAOYSA-N 436.895 5.419 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCCC[C@@H]3c3nc4ccccc4o3)cn2)c1 614137761 SFTZDZOEKXDFLO-OAQYLSRUSA-N 439.475 5.646 30 20 IKED Cc1ccc(-n2nnc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2C)cc1 617898158 REHCPOWUEUKGQU-HNNXBMFYSA-N 441.438 5.003 30 20 IKED C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 669815378 LYPDIRAQJXSRPM-ROUUACIJSA-N 447.514 5.268 30 20 IKED C=CCn1c(-c2ccncc2)nn(CNC2(c3ccc(Cl)cc3)CCCC2)c1=S 727167292 XOTUKHAINYJCSG-UHFFFAOYSA-N 425.989 5.332 30 20 IKED COc1ccc(/C=C2\Cc3c(F)cc(Br)cc3C2=O)cc1OCCCC#N 727780957 XURBZGOKPDKVOL-RIYZIHGNSA-N 430.273 5.102 30 20 IKED N#CCOc1ccc(CNC(=O)c2sc3cc(Br)ccc3c2Cl)cc1 729844082 JKPDYLORFKHIPV-UHFFFAOYSA-N 435.730 5.150 30 20 IKED Cc1cccc(N(CCC#N)C(=O)COC(=O)[C@H]2C[C@@H]2c2cccc3ccccc23)c1C 730872231 MIQBWIXYCSLDDL-RPWUZVMVSA-N 426.516 5.050 30 20 IKED CCc1cc2oc(=O)cc(CNc3ccccc3Oc3ncccc3C#N)c2cc1Cl 731665148 KFPWJXCEFRKCKW-UHFFFAOYSA-N 431.879 5.680 30 20 IKED C[C@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)Nc1cccc2ccccc12 732398806 DCRJENMAFRWWTJ-KRWDZBQOSA-N 437.455 5.083 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)O[C@H](c3ccc(Cl)cc3)c3cccnc3)cc2)nc1 732505253 UQZXEOJNYVXPQP-XMMPIXPASA-N 441.874 5.740 30 20 IKED CCSc1ccc([C@H](C)NC(=O)NCc2ccc(OC)c(O[C@@H](C#N)CC)c2)cc1 733648878 LKBAGKFZRKSSSH-QFBILLFUSA-N 427.570 5.049 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)c1 733799584 XGFGWVKQIYFZNU-GOSISDBHSA-N 438.528 5.184 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(OC(C)C)cc2C(F)(F)F)c1 733800623 CDXZBRIWEXQJKD-SFHVURJKSA-N 449.473 5.173 30 20 IKED C[C@@H](SCc1cc(Cl)ccc1OCC#N)C(=O)Nc1ccccc1C(F)(F)F 735317645 DVUMETKEYJBPAY-GFCCVEGCSA-N 428.863 5.522 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(F)c(Cl)c2)[n+]2ccc(CC)cc2)c1 736268526 GDEQEUCWPRJJSW-UHFFFAOYSA-O 437.947 5.634 30 20 IKED CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N(CC#N)C2CCCC2)c1=S 737637972 OPCWGWHVRJJPKT-UHFFFAOYSA-N 446.020 5.219 30 20 IKED N#CCN(Cn1nc(Nc2ccc(OC(F)(F)F)cc2)sc1=S)C1CCCC1 738254228 HDZXBZUOIWVGKW-UHFFFAOYSA-N 429.493 5.042 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 742653836 ORIUHHVOWYFITQ-CYBMUJFWSA-N 437.443 5.444 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1sccc1-c1ccc(F)cc1 743761655 YKRVSVIYPAEELK-VXGBXAGGSA-N 439.396 6.194 30 20 IKED Cn1c(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc2cc(C(F)(F)F)ccc21 744028006 GTRBNEWUODJSRG-SFHVURJKSA-N 435.405 5.311 30 20 IKED CCOc1ccccc1-c1nnc(S)n1N=C[C@H](C)c1cccc(Br)c1 747629654 HVUWVQXJQLBJBJ-ZDUSSCGKSA-N 431.359 5.033 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4ccc(C)c(OC)c4)CCC3)n2)cc1 750401556 UBYLMDFYFDNYDJ-FQEVSTJZSA-N 432.545 5.434 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1C#N 752192346 RNPHNBFXFDSONJ-UHFFFAOYSA-N 443.463 5.023 30 20 IKED C[C@@H](OC(=O)c1ccccc1OCC#N)c1cnc(-c2ccc(Br)cc2)s1 752562962 HQQYJCDLQDMDCW-CYBMUJFWSA-N 443.322 5.393 30 20 IKED C/C(=C\C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1OC(F)F 753195886 OHHOLERMEOGVDL-QEFZOKHDSA-N 445.350 5.717 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)O[C@@H]2CCO[C@H](C3CCOCC3)C2)cc1Cl 763126727 VACKVTGCCNODBZ-XXBNENTESA-N 441.911 5.135 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H]2CCC(F)(F)C2)cc1 763211943 IXOFWJSHTZBEGP-OALUTQOASA-N 443.519 5.143 30 20 IKED Cc1csc(SCc2c(C(=O)Nc3cc(C)n(CCC#N)n3)oc3ccccc23)n1 768051716 WMJZQDCPFWPOCZ-UHFFFAOYSA-N 437.550 5.161 30 20 IKED CC(C)(C#N)CCCCOC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1F 768672612 SYIAPVLZXOTSNX-NDXORKPFSA-N 432.511 5.001 30 20 IKED Cc1ccc([C@H](N[C@@H](C)c2ccc(OCC#N)cc2)c2cccc(S(C)(=O)=O)c2)c(C)c1 776164504 IVPUOHUZFDOGFF-RXFWQSSRSA-N 448.588 5.050 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 780680503 FGXPIDCUEDHDGI-IRXDYDNUSA-N 446.482 5.252 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@H](c2cccc(C(F)(F)F)c2)C1 784482694 JZAIRYJFTTVVPX-WMZOPIPTSA-N 447.526 5.385 30 20 IKED CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 785024514 VKHUBVAFXKDZMM-IZZNHLLZSA-N 439.559 5.069 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2nnc(-c3cc4ccccc4o3)s2)cc1C#N 787468532 WRXZOCIWXUZCCI-UHFFFAOYSA-N 448.464 5.035 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1cc(C(F)(F)F)cnc1Cl 790813769 QXLWCCYXKOXQKI-UHFFFAOYSA-N 432.679 5.209 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(C(F)(F)F)cnc3Cl)cc2F)c1 790904794 ZHPGYRPKLJMWCO-UHFFFAOYSA-N 449.791 5.596 30 20 IKED COc1ccc2cc(NC(=O)C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)ccc2c1 807306412 GGODFUNYUNKGKE-VWLOTQADSA-N 435.483 5.081 30 20 IKED COC(=O)c1ccc(Cl)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 812914594 RCMNTWCTCYRMPM-IBGZPJMESA-N 439.298 5.688 30 20 IKED C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1cccc(Br)c1 813060342 WMCJTYLGUVYLDI-YGRLFVJLSA-N 440.124 5.207 30 20 IKED N#C[C@H](C(=O)c1ccc(SC(F)(F)F)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 916846819 GQLCFVIEDFZUKI-CYBMUJFWSA-N 449.479 5.378 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)cc1NC(=O)c1ccccc1F 916910266 GUDXIBGRUMVCMS-KRWDZBQOSA-N 449.869 5.001 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cc1 916914361 KPCANKCXBRQTQS-OAQYLSRUSA-N 435.524 5.337 30 20 IKED N#C[C@@H](C(=O)COc1ccc2oc3c(c2c1)CCCC3)c1nc2ccccc2n1C(F)F 917039660 BMAVHZRVAZSYRP-KRWDZBQOSA-N 435.430 5.312 30 20 IKED C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 917044326 SIJNNRBRUFIKPF-ZYHUDNBSSA-N 440.302 6.095 30 20 IKED N#Cc1cccc(COc2cccc(NCC(=O)Nc3ccc(N4CCCCC4)cc3)c2)c1 917810961 JOOCJUHIBWJVFS-UHFFFAOYSA-N 440.547 5.178 30 20 IKED N#C[C@@H](C(=O)CSCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1 920107928 KFCCKMAZPLWGNQ-HNNXBMFYSA-N 427.740 5.228 30 20 IKED Cc1cc(Cl)ccc1O[C@H](C)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920804600 WTIFVXZOGZKMNJ-OCCSQVGLSA-N 432.879 5.694 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCc2c(ncn2-c2ccccc2)C1 929077760 YGWKYCTYNPJXNS-UHFFFAOYSA-N 436.540 5.094 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc5cc[nH]c5cc4Cl)cc3)CCC2)CCC1 1789075840 XFCDXSSPKJVLBL-UHFFFAOYSA-N 446.938 5.263 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C3CCC(F)(F)CC3)CCC2)cc1 1789449724 WLIBMJCVUIZKFX-OAQYLSRUSA-N 430.539 5.714 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C4CC4)cc3)cc2)CCC1 1790784534 ZZNKSNGMNMPZRY-GOSISDBHSA-N 433.552 5.113 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCCC3(F)F)CCC2)cc1)C(F)(F)F 1791303249 OIQCIHQEHDKJHP-MRXNPFEDSA-N 430.417 5.065 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccccc4)nc3)CCC2)cc1 1791585511 FQWHWIAJGIQZPM-UHFFFAOYSA-N 437.543 5.300 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccccc3NC(C)=O)cc2)CCC1 1792133144 VTTHLGUJLHDTGG-JOCHJYFZSA-N 445.563 5.161 30 20 IKED CCCCc1ccc(-c2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CCC#N)cc2)cc1 1795858755 XVCXLAHAYRPVER-OOSCYNTBSA-N 443.591 5.252 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](CC)c2ccccc2)[C@H]1c1cccnc1 1810171409 CXCRKHIQBWKZKE-QUMGSSFMSA-N 445.607 5.050 30 20 IKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1 1812807676 PRLIXYYUQVJRFE-UNMCSNQZSA-N 449.586 5.295 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)[nH]n1 1814444103 UAVQXKPNANEWQT-QFIPXVFZSA-N 447.583 5.118 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3cccnc23)n[nH]1 1818482460 JIBQQYJUEWDROO-DENIHFKCSA-N 443.551 5.032 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2C2CC2)n[nH]1 1823131479 OEIWEHFRWIKGRO-XXBNENTESA-N 432.568 5.361 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2OCC)CC1 1828827162 IYXAFOFNCNGKDS-ISKFKSNPSA-N 438.612 5.087 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2)CC1 1829973937 QGHYZEPNBQOUBE-GOTSBHOMSA-N 429.004 5.342 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2)CC1 1830024627 OVTXCZMHVMAPRO-HSZRJFAPSA-N 429.004 5.342 30 20 IKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C3CCCCC3)CC2)cc1 1830355367 GCCQEZQBXVHUNZ-LECAJKHHSA-N 447.623 5.122 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccncc2-c2ccccc2)CC1 1831375457 WWTSBIBWTFCAQZ-HFZDXXHNSA-N 445.607 5.194 30 20 IKED Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1ccccc1Sc1ccccc1C#N 60248485 YDQBLVBLSUYAIH-UHFFFAOYSA-N 443.572 5.656 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1OC 60354652 SRZFHRNKPZHJAD-UHFFFAOYSA-N 430.460 5.185 30 20 IKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)cc12 60477093 XADAMFBDRLNVFB-CQSZACIVSA-N 431.908 5.415 30 20 IKED N#CCCn1cc(-c2csc(NC3CCN(Cc4ccccc4)CC3)n2)c2ccccc21 63630520 IBPRCHJTKGTKRV-UHFFFAOYSA-N 441.604 5.755 30 20 IKED N#Cc1ccccc1N1CCCN(C(=O)Nc2ccc(OCc3ccccc3F)cc2)CC1 64717228 XUQJRXZLNHOVMY-UHFFFAOYSA-N 444.510 5.021 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(OCC(F)(F)F)nc1 72025336 ILLFRTNUTXAMJC-UHFFFAOYSA-N 427.382 5.247 30 20 IKED C=CCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccccc1F 195569784 XSYKRMKBIGOBLO-UHFFFAOYSA-N 437.327 5.308 30 20 IKED C=CCn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nnc1-c1cccc(C)c1 255935813 YOJHCHVPFYPYRW-UHFFFAOYSA-N 441.560 5.283 30 20 IKED CCc1nc([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cs1 303459388 KZUDJXYEMXGFBR-AWEZNQCLSA-N 440.956 5.692 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1)C(C)C 303709566 YTIYRZYRRDGKLF-UHFFFAOYSA-N 441.531 5.146 30 20 IKED C=CCN(C(=O)C[C@H](C)c1ccc(OC)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 427493073 QGEFQANXEMOJDR-INIZCTEOSA-N 437.521 5.440 30 20 IKED Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 428716216 IBCWETJEPPEUDX-UHFFFAOYSA-N 429.524 5.009 30 20 IKED N#CCCN(CC1CC1)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 429074476 AXQCCTANDOEELU-UHFFFAOYSA-N 430.430 5.115 30 20 IKED C=CCC[C@@H](NC(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1ccccc1 429084021 LYUZOBVNLUYEAQ-RUZDIDTESA-N 444.579 5.313 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccnn1Cc1cccc2ccccc12 429752013 MPBUBEDVNWLBQE-RPBOFIJWSA-N 435.531 5.388 30 20 IKED N#Cc1cccc(OC2CCN([C@@H](c3ccccc3)c3nc(-c4ccccc4)no3)CC2)c1 429992737 PEBGQTAFDYFYFE-VWLOTQADSA-N 436.515 5.241 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cc1NC(=O)Nc1ccccc1 430609908 JBJZHSWLVGTUHB-GOSISDBHSA-N 432.549 5.883 30 20 IKED N#CCSc1cccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCC3)c1 430932236 YRCBMZLKFJQJPX-UHFFFAOYSA-N 447.610 6.381 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1cccc(OCC(F)(F)F)c1 431786482 CWXGKQWVQLLWHL-UHFFFAOYSA-N 427.272 5.083 30 20 IKED CC[C@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 435595637 CIGBIOZLYCQGSV-QHCPKHFHSA-N 447.510 5.081 30 20 IKED CC[C@@H](c1ccccc1)S(=O)(=O)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 437234989 USLDHGJATNBMGL-VWLOTQADSA-N 435.545 5.212 30 20 IKED CCC(CC)c1cc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)on1 437977931 UERZNPPUCRNLMW-UHFFFAOYSA-N 432.524 5.659 30 20 IKED Cc1csc([C@@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C2CC2)n1 437978263 VCUKLMCEDNOJEU-QFIPXVFZSA-N 432.549 5.483 30 20 IKED N#CC1CCC(CNC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)CC1 442738062 NJQRRWQZRHUPMC-UHFFFAOYSA-N 431.367 5.430 30 20 IKED CC[C@H](N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(C#N)cc1 447536807 QDUGWDIQKJSZQC-BJKOFHAPSA-N 438.980 5.445 30 20 IKED C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H]1c1ccc(COC)o1 460944947 IZXQUOBILJQUOO-OAQYLSRUSA-N 436.556 5.131 30 20 IKED N#C[C@H](C(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1cc(C(F)(F)F)ccn1 464409294 UPOCIRGVLBZPLS-FQEVSTJZSA-N 436.389 5.916 30 20 IKED CO[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1cccc(Cl)c1 464592099 JIHQTFALVHGGHB-JOCHJYFZSA-N 436.964 5.621 30 20 IKED N#CCN1CCC(CNC(=O)[C@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)CC1 464971581 IVAWXZWZUCONBR-OAQYLSRUSA-N 448.419 5.179 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 467537621 YWSQNRQABJEFIT-HNNXBMFYSA-N 442.587 5.227 30 20 IKED C=C[C@](C)(CC)C(=O)Nc1ccc(NC(=O)c2ccccc2I)cc1 468106395 OOVXOWPOJQQXRI-HXUWFJFHSA-N 448.304 5.084 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 468155379 HNGWVNDRBOXZFJ-OAQYLSRUSA-N 446.551 5.596 30 20 IKED CC[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Br)cc1 469139989 XQCVLNDDAFHJDX-HXUWFJFHSA-N 426.358 5.595 30 20 IKED C[C@@H](CCNC(=O)c1occc1COc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 470010432 XNWWPZKKZZIEHI-INIZCTEOSA-N 442.437 5.673 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)cc1 470366138 VJIJCBQICIGTQK-LJQANCHMSA-N 433.430 5.554 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 475570625 LAZZEHMALVITRM-OAQYLSRUSA-N 430.495 5.745 30 20 IKED Cn1cc([C@H](NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c2ccc(F)cc2)cn1 479647362 XRGBVQQIYVDBTE-XMMPIXPASA-N 442.519 5.101 30 20 IKED Cc1ccc2c(c1C)OC[C@H]2NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 480180020 ITFHNSZELDIFIC-XMMPIXPASA-N 427.504 5.204 30 20 IKED CCc1nc(C(=O)[C@H](C#N)c2nccc3ccccc23)nn1-c1c(Cl)cccc1Cl 483237559 ZJEPNSBVRUYGJC-OAHLLOKOSA-N 436.302 5.175 30 20 IKED Cc1cc(C)c(-c2nnc(SCC(=O)N(CCC#N)c3cccc(Cl)c3)o2)c(C)c1 483237668 JBQHZUQFJRKFIH-UHFFFAOYSA-N 440.956 5.354 30 20 IKED CC(C)c1c(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cnn1-c1ccc(Cl)cc1 485182931 PJHXGVSBTRLGCO-UHFFFAOYSA-N 445.954 5.842 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(F)cc1OCCC(F)(F)F 485513608 BWYQTXITEPNBHD-UHFFFAOYSA-N 442.457 5.545 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)S(=O)(=O)c1ccc(F)cc1C(F)(F)F 488794645 LJCUTGWBSMNEKM-JTQLQIEISA-N 429.357 5.245 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 490625745 FWMJIOQKMHYTDO-UHFFFAOYSA-N 443.528 5.018 30 20 IKED C=CCC[C@@H](NC(=O)N(C)[C@@H](CO)c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 491020552 NNHARBWMYMSJFJ-RTWAWAEBSA-N 436.474 5.096 30 20 IKED N#Cc1ccc(Br)c(CSc2nnc(-c3ccccc3F)n2C2CC2)c1 491573689 UDFDZLVRAGEINE-UHFFFAOYSA-N 429.318 5.346 30 20 IKED CCCCn1c(SCc2cc(C#N)ccc2Br)nnc1[C@@H](CC)N(C)C 491844540 GQILFSDGPZMLKW-QGZVFWFLSA-N 436.423 5.017 30 20 IKED Cc1cccc(-n2ncc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2C(F)(F)F)c1 498797977 UQEKXRWJVYJAEI-UHFFFAOYSA-N 431.311 5.610 30 20 IKED Cc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c(OCC(F)(F)F)c1 500931178 RSDIRZPRKBRAMY-UHFFFAOYSA-N 440.421 5.639 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cnc(-c4ccc(F)c(F)c4)s3)s2)cc1 502635368 GWOKTMKHYQARRP-UHFFFAOYSA-N 438.484 5.260 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)CC 504055086 GNKNYNCPUXSIQM-SFHVURJKSA-N 438.572 5.362 30 20 IKED CCN(C(=O)N[C@H](C)c1ccc(C#N)cc1)[C@@H]1CCSc2ccc(Br)cc21 507332603 YMVNGDSKTWGLMH-AUUYWEPGSA-N 444.398 5.650 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H]3CCc3ccccc3)c2)cc1 509912034 NLEJVKRHJXQUMU-AREMUKBSSA-N 439.559 5.961 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1Cl 510040197 ACSXJHVBPVGXBF-VWNXMTODSA-N 449.913 5.740 30 20 IKED CCOC(=O)CC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 510045034 NMGWNNWFDBEGCP-OAQYLSRUSA-N 439.943 5.193 30 20 IKED N#Cc1cc(F)ccc1NC(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 510833597 OGFBMVYXAXGSFV-INIZCTEOSA-N 425.508 5.005 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(F)cc2F)cc1)c1nc(-c2ccncc2)cs1 512937688 RIBXSIRXQIBVHN-SFHVURJKSA-N 433.439 5.766 30 20 IKED Cc1cccc(Oc2ccc(NC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cc2)c1 515109739 GYVRFPWWSRQWQR-UHFFFAOYSA-N 440.547 5.399 30 20 IKED C[C@H](NC(=O)N[C@H]1c2cc(Br)ccc2SC[C@@H]1C)c1ccc(C#N)cc1 517079938 JCRWGKFNQLUFSL-WTOJCKNJSA-N 430.371 5.164 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)n1 518507764 OGGKDOCKNXDGIY-OAHLLOKOSA-N 431.286 5.636 30 20 IKED C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(Oc2ccc(C)cc2OC)c(F)c1 518563502 FEQICZURCVMUOG-UHFFFAOYSA-N 448.494 5.088 30 20 IKED Cc1nc(NC(=O)CCc2ccc(C#N)cc2)sc1-c1nc2ccccc2n1C(F)F 518727689 VXPANZADYQNLAB-UHFFFAOYSA-N 437.475 5.306 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 520161440 CEKAOCUNKNUBNX-OAQYLSRUSA-N 442.563 5.461 30 20 IKED Cc1nc(-c2ccc(CCNC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cc2)cs1 520324516 BJUCMESCTBCIEE-UHFFFAOYSA-N 440.528 5.150 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCCNC(=O)c3ccc(Cl)cc3)cc2)cc1 521355746 AXVSKWJLYHPDDL-UHFFFAOYSA-N 433.895 5.153 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)c2)c1 521382399 WNDWYMBYZLOJEI-UHFFFAOYSA-N 427.357 5.221 30 20 IKED COc1ccc2[nH]cc(C3CCN(C(=O)Nc4ccccc4SC[C@H](C)C#N)CC3)c2c1 521747370 UKTWVHUICBNGQA-QGZVFWFLSA-N 448.592 5.840 30 20 IKED CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1 521785077 OZIMAQDMDAYDHV-XMMPIXPASA-N 431.580 5.375 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C 523027483 UPVZVFBDTMFZHK-XXBNENTESA-N 443.522 5.995 30 20 IKED COc1cc(CSc2nncn2-c2ccccc2C)ccc1OCc1cccc(C#N)c1 523882282 IDBFNFCAHGAUKI-UHFFFAOYSA-N 442.544 5.327 30 20 IKED Cc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cs2)n1C 534661033 WWCYZIFTUFQXPY-LBPRGKRZSA-N 440.500 5.349 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C)c1ccc(-c2ccc(Cl)cc2)s1 536527213 ZJEIGIOSXLTHPJ-MRXNPFEDSA-N 441.000 5.606 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)N[C@@H](CCC#N)c1ccccc1 539050181 FNLTTWCILLLOSP-YWZLYKJASA-N 440.410 6.577 30 20 IKED Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccccc1 549135381 XXZHTYWLUAPSHI-KRWDZBQOSA-N 428.565 5.021 30 20 IKED C[C@H]1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)c2cc(C(F)(F)F)ccc2S1 549917668 PQZCVDOUXBBNDU-JTQLQIEISA-N 445.388 5.522 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@@H]2CCCc3cc(OC)ccc32)cc1 554240513 WNHPWFGZUZKNQJ-XMMPIXPASA-N 433.552 5.051 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(OC2CCCCC2)CC1 555263245 GDKOZMZWGAALLX-LJQANCHMSA-N 442.579 5.451 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)Nc1ncsc1C(C)C 558336689 QLEVUJWFBCIFMD-UHFFFAOYSA-N 440.594 5.857 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)Cc1cccc(Br)c1 561206326 PSLZDQYVYDHQIG-GJZGRUSLSA-N 432.387 5.454 30 20 IKED N#CCCn1cc(C(=O)CN2CCC(c3c[nH]c4ccc(F)cc34)CC2)c2ccccc21 564223002 QGABRLNQUXYEIK-UHFFFAOYSA-N 428.511 5.238 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H]1c1ccccc1Cl 567547830 HSBZELOSBLEENL-PMOQBDJRSA-N 434.971 5.704 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 568328201 KEQRXDHJGSMFTQ-UHFFFAOYSA-N 440.595 5.349 30 20 IKED Cc1nn(CC(F)(F)F)cc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 579265901 MAURQKDMYDBOMB-UHFFFAOYSA-N 447.301 5.064 30 20 IKED CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 581900084 GOKWBNRPUUNLOI-UHFFFAOYSA-N 432.530 5.093 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCCC[C@H]3c3nnc(C4CCC4)o3)cc2)c1 582204595 CLGCBDLOCKTDCQ-QFIPXVFZSA-N 443.507 5.760 30 20 IKED CN(CCCc1cc(-c2ccc(F)cc2)no1)CC(=O)c1cn(CCC#N)c2ccccc12 585764418 XIRMRMUZXLSWPF-UHFFFAOYSA-N 444.510 5.096 30 20 IKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cnn1-c1ccccc1 603766761 XBJNXILNCKYVIN-JOCHJYFZSA-N 426.907 5.742 30 20 IKED C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1cccc(OCCCC#N)c1 603972120 XRTIYOPXUXOTGS-CYBMUJFWSA-N 437.721 5.191 30 20 IKED CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604143054 HVIJFTQPFNEXBH-OXQOHEQNSA-N 425.916 5.027 30 20 IKED Cc1ccc(CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)Cc2ccco2)s1 604460420 LTTXEGJHLVWBJA-UHFFFAOYSA-N 425.579 5.102 30 20 IKED N#C[C@@H](C(=O)c1cc(Br)sc1Br)c1ccc2ccccc2n1 604929761 SMKYLFKKQDQMNT-LLVKDONJSA-N 436.128 5.311 30 20 IKED O=C(CNc1cc(C(F)(F)F)ccc1SCC(F)(F)F)Nc1ccccc1F 607149688 KNISGBLQGFNZQY-UHFFFAOYSA-N 426.357 5.550 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3ccnc(N4CCCCC4)c3)c2)cc1 609208777 FORACAAOUKMDBM-UHFFFAOYSA-N 427.508 5.058 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(N3CCCC3)c(F)c2)cc1 609298576 ZDRDRNSUKAQYRS-UHFFFAOYSA-N 431.486 5.279 30 20 IKED COc1nc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc2ccccc12 609381671 HPWUPAAULORTHS-UHFFFAOYSA-N 431.439 5.520 30 20 IKED COc1ccc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1OC1CCCC1 609399405 UBHWHGNQSWQNNP-KRWDZBQOSA-N 439.581 5.590 30 20 IKED Cc1cccc(-c2ccc(CNC(=O)C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)c1 610030650 RUKQVORNEAPOSK-LJQANCHMSA-N 443.572 5.311 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1cccc(CSC2CCCC2)c1 610147483 RIEBZHRQSZHMEL-UHFFFAOYSA-N 438.593 5.024 30 20 IKED Cc1nc(SCc2nnc(-c3cccc(C#N)c3)o2)c2cc(-c3ccccc3)sc2n1 610217070 LOABWPNKAGWZSQ-UHFFFAOYSA-N 441.541 5.881 30 20 IKED Cc1[nH]nc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1-c1cccc(Cl)c1 610354586 NYWPGZLCMYHYOB-UHFFFAOYSA-N 442.906 5.742 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(Oc3ccccc3Cl)cc2)n1 610468068 ZUNIWRPYBYAXME-OAHLLOKOSA-N 426.881 5.256 30 20 IKED CC(C)OC1CCC(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 611049226 VYVBYBICWYVAMK-UHFFFAOYSA-N 425.504 5.134 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)c3cnc(-c4ccc(C(F)(F)F)cc4)s3)CC2)cc1 611247140 JULGSZSXPMZVOK-UHFFFAOYSA-N 439.462 5.630 30 20 IKED CC(F)(F)c1ccc(CNC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 644971871 FTUYYRJMARVQCX-STQMWFEESA-N 432.355 5.507 30 20 IKED CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 670775942 GVNJDOFDQGBXKT-YUELXQCFSA-N 449.357 5.863 30 20 IKED C=C(CNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1ccccc1 673342747 ZWDVRMXICMZNSI-UHFFFAOYSA-N 439.359 5.353 30 20 IKED Cc1ccc(C(F)(F)F)cc1NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 673765597 CEQZPGKCYIDJKV-QWRGUYRKSA-N 436.318 6.045 30 20 IKED Cc1ccccc1/C(O)=C(/C(=S)N=C1C=CC(=C(N)O)C=C1)[n+]1ccc(C(C)(C)C)cc1 726570183 VUSDMQQBXHOIOC-UHFFFAOYSA-O 446.596 5.087 30 20 IKED N#CCCCOc1cccc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)c1 726801762 MSNHZMVPEYOVLN-JWGURIENSA-N 430.554 5.928 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1ccccc1Cl 728061798 BLUSRROWOMTTBM-OAHLLOKOSA-N 440.330 5.883 30 20 IKED COc1cc(CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)ccc1OC(F)F 728200421 DEIZKGMFTBWZHF-UHFFFAOYSA-N 428.410 5.498 30 20 IKED C[C@@H](OC(=O)c1cc2ccccc2n1CC#N)c1nc(-c2cccc(C(F)(F)F)c2)no1 729766939 OONJVHGACJPPEN-CYBMUJFWSA-N 440.381 5.152 30 20 IKED Cn1c(CC(=NOCc2cc(-c3cccs3)on2)c2ccccc2)nc2ccccc21 730100553 OMUHFSNHLLOPQI-UHFFFAOYSA-N 428.517 5.453 30 20 IKED N#C[C@H](C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1nc2cc(F)ccc2s1 730416982 JMDZMZGQJNJJHJ-WOJBJXKFSA-N 443.503 5.173 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2nc(-c3ccccc3)cs2)cs1 732572096 YKISAYNAUMVGBZ-JLHYYAGUSA-N 445.569 6.156 30 20 IKED C#CCN(C(=O)CCc1ccc(Cl)s1)[C@@H]1CCOc2ccc(Br)cc21 733112146 BIXCMXJRZNTFHH-MRXNPFEDSA-N 438.774 5.082 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)ccc1OC 733232203 PUXNVAIFPMZTSB-HNAYVOBHSA-N 434.458 5.205 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)NCc2cccc(-c3cccc(C)c3)c2)ccc1OC 733647609 QMXJZYBNUDSSKX-DEOSSOPVSA-N 443.547 5.351 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC(c3cccc4ccccc34)CC2)c1 733804836 IZGOWAQAFNDXQE-HSZRJFAPSA-N 427.548 5.610 30 20 IKED N#CCOc1ccc(Cl)cc1CSc1nc2ccccc2c(=O)n1Cc1ccccc1 735230802 JBXFVVYEAGEZSR-UHFFFAOYSA-N 447.947 5.293 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)NCc3ccc(N4CCCCCC4)nc3)c2)s1 740032085 FWDQRQFLKWRYTJ-UHFFFAOYSA-N 445.592 5.062 30 20 IKED CC[C@H](C)C(=O)Nc1cccc(CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1 740033481 ZXJQEJJFUYFOIY-KRWDZBQOSA-N 446.576 5.271 30 20 IKED C[C@H](C#N)Oc1ccc(/C=C(\CC(=O)O)c2nc3cc(Br)ccc3s2)cc1 742437498 UMPWUURNEMMIIB-ZBQKXELDSA-N 443.322 5.365 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)cc1 743449815 VNRJVOBZMDVXDI-INIZCTEOSA-N 444.343 5.640 30 20 IKED Sc1nnc([C@@H]2CCCCO2)n1N=Cc1ccc(-c2cccc(Br)c2)s1 743452065 MCCQPKGNBWHVJY-HNNXBMFYSA-N 449.399 5.182 30 20 IKED CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 744766356 OVOAMCYJQXVLFG-VWLOTQADSA-N 446.982 5.591 30 20 IKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 744807315 WIDFIVCUQHQVCI-UHFFFAOYSA-N 439.541 5.183 30 20 IKED CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cc(C#N)cs2)NC(=S)N1c1ccccc1 747959977 GATFJBVNWCSBSY-NRFANRHFSA-N 448.548 5.107 30 20 IKED C[C@@H](OC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1nc(-c2cccnc2)no1 748237128 UNIVAYVPBZVCSP-OAHLLOKOSA-N 428.473 5.072 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccnc(Oc2ccccc2)c1 749338280 NOKMGIKJRDVRHU-QFIPXVFZSA-N 449.466 5.627 30 20 IKED N#Cc1ccc(CSc2nnc(-c3ccncc3)n2Cc2ccccc2)c(OC(F)F)c1 753062622 PZIXAZDRJNDZIP-UHFFFAOYSA-N 449.486 5.154 30 20 IKED Cc1ccnc(C2CCN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)CC2)n1 754476318 IYARWEHBRBYUPY-UHFFFAOYSA-N 432.911 5.122 30 20 IKED N#CCCn1cc(C(=O)COC(=O)CSc2ccc3ccccc3c2)c2ccccc21 754802007 JMBWHPVZDCMNLG-UHFFFAOYSA-N 428.513 5.226 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cc(Cl)c(F)c(Cl)c2)ccc1OC 755508420 DZFSRXSLRUCRTK-CYBMUJFWSA-N 426.275 5.144 30 20 IKED C[C@@H](CSc1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 756222246 BRCCTFGGTGQESP-BLLLJJGKSA-N 441.553 5.019 30 20 IKED CC[C@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC[C@H]1NC(=O)OC(C)(C)C 757388814 RRFJMGYBBNYFLT-WMZHIEFXSA-N 449.551 5.116 30 20 IKED C#CC[C@@H](NC(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21)c1ccccc1 757777772 ILYYJWKQSDZKFR-RTBURBONSA-N 429.383 5.392 30 20 IKED N#Cc1ccc([C@H](O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)cc1 763230982 FDQVQXKKOZPROF-JOCHJYFZSA-N 446.963 5.344 30 20 IKED COc1cc(C#N)ccc1NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 766644282 KTDYHZSDNDBJQD-DVECYGJZSA-N 445.544 5.060 30 20 IKED CN(C(=O)c1ccccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C1CCCCC1 767854417 XAFTXQKEKWRINE-UHFFFAOYSA-N 442.563 5.284 30 20 IKED N#CCCCn1cc(C(=O)N(Cc2ccccc2)C[C@H](O)c2cccs2)c2ccccc21 768029047 SIXFMYPTOLYSQC-DEOSSOPVSA-N 443.572 5.383 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(N2C(=O)[C@H]3c4ccccc4CCN3C2=O)cc1Cl 771814806 AAMSUYVIIKGSRC-JTHBVZDNSA-N 427.891 5.061 30 20 IKED CC[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)[C@@H](O)c1ccccc1 775598505 FVVHRMJXDXHSQJ-NOZRDPDXSA-N 429.520 5.079 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 775724368 ZEOMTMMHNGPENP-BLVKFPJESA-N 432.293 5.152 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](CC)c2cc(F)cc(Br)c2)c1 776877018 DYCHVQASMLVAEO-UYAOXDASSA-N 448.336 5.220 30 20 IKED N#CCOc1cc(F)ccc1NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 779609610 PJJMSQSLHBVYNQ-UHFFFAOYSA-N 443.438 5.101 30 20 IKED CC1(C#N)CCN(Cn2nc(SCc3cccc4ccccc34)sc2=S)CC1 779880218 YCIPLHINUVYKTH-UHFFFAOYSA-N 426.636 5.703 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(OC(F)(F)Cl)cc1 782547463 BSEGKKWCEUIEHR-UHFFFAOYSA-N 429.810 5.474 30 20 IKED CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H](N[C@H]3CCc4cc(C#N)ccc43)c3ccccc3O2)C1 787027143 OWUNWOIFIZYOLQ-OBTVHEKISA-N 445.563 5.039 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 790504743 LHXYWDIHGZSGFU-UHFFFAOYSA-N 446.469 5.153 30 20 IKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccsc2)N(CCCF)C1=O 790757129 SYCZYABYFFMKFA-MRXNPFEDSA-N 439.965 5.030 30 20 IKED Cc1ccc(C(=O)N[C@H](CC(=O)[C@H](C#N)c2nccc3ccccc23)c2ccccc2)cc1 792093059 HHCNXRYLDUQYQQ-LOSJGSFVSA-N 433.511 5.281 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@@H](C#N)c1nccc2ccccc12 792102916 IQABYVNCPQTCKG-YWZLYKJASA-N 447.947 6.041 30 20 IKED C[C@@H](OC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 795821505 AOABUSSPYYNZNW-WBMJQRKESA-N 440.343 5.583 30 20 IKED CC(C)(C(=O)[C@@H](C#N)c1cnc2ccccc2n1)c1csc(-c2c(F)cccc2F)n1 797160586 OKNJFZGJHRAVPW-ZDUSSCGKSA-N 434.471 5.186 30 20 IKED CCN(C(=O)c1ccc(C)c(C#N)c1)[C@@H](c1ccc(Br)cc1)c1cccnc1 799337713 NMYMBJQYTPKVOR-QFIPXVFZSA-N 434.337 5.276 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@@H](F)c1ccc(C(F)(F)F)cc1 801661909 WYEWWCXXGQUIIB-ZDUSSCGKSA-N 429.263 5.558 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(Br)cc2F)cc(OC)c1OCC(F)F 809158636 VKDMUBFXGOGPHH-UTCJRWHESA-N 445.231 5.145 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)s1 810537591 YMWKEICNZJJVPU-GFCCVEGCSA-N 446.479 5.354 30 20 IKED CC(=NNc1ccc(S(=O)(=O)C(F)F)cc1)c1sc(-c2ccc(F)cc2)nc1C 814829103 ZHNPOFVLMZFWLT-UHFFFAOYSA-N 439.484 5.090 30 20 IKED CCc1cc(NN=C(C)c2sc(-c3ccc(OC)cc3)nc2C)nc(-c2ccccn2)n1 814842165 UURCWULPZNKEAK-UHFFFAOYSA-N 444.564 5.378 30 20 IKED O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N1CCCSC1=Nc1ccccc1 871595605 ARSDIOCTEPNVQP-UHFFFAOYSA-N 444.969 5.135 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)cc1 915086428 JKQOPWWGOLEUCY-QHCPKHFHSA-N 440.499 5.105 30 20 IKED CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)CSc1nc(C)c(C)c(C)c1C#N 916538247 RLXNHWJOPJBVTD-RDTXWAMCSA-N 439.581 5.055 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 916896482 ILJRRJLUSWNJBK-QFIPXVFZSA-N 434.948 5.902 30 20 IKED Cc1sc(-c2ccco2)nc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916908118 LLEQYZDBVZUQJL-QGZVFWFLSA-N 443.484 5.465 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(C2SCCCS2)cc1 916916201 PWSSTHMQBCZAPW-HXUWFJFHSA-N 432.570 5.670 30 20 IKED Cc1cc(-n2c(C)cc(C=Nn3c(S)nnc3-c3cc(Cl)ccc3Cl)c2C)no1 917028094 RBSGFBTWRLQTFG-UHFFFAOYSA-N 447.351 5.127 30 20 IKED COc1ccc(-n2c(C)cc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c2C)cc1 917040560 MHMALCZXCYFUBD-IBGZPJMESA-N 434.446 5.338 30 20 IKED COc1cc(C#N)ccc1OC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 920019419 UXXAACAXGXLHHB-CYBMUJFWSA-N 428.897 5.103 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3ccc(Br)o3)n2)cc1 920143311 OZGKDSWPFJZAEM-DDJMYBDESA-N 429.295 5.064 30 20 IKED N#C[C@@H](C(=O)CCc1cnn(-c2ccccc2)c1)c1nc(-c2c(F)cccc2F)cs1 920804270 NMGYIWRBDZJJGU-KRWDZBQOSA-N 434.471 5.083 30 20 IKED CC(C)(C)Cn1c(O)nc2cccc(C(=O)Nc3cccc(Oc4ccc(C#N)cn4)c3)c21 1538914677 KXAJEJMLQCWLID-UHFFFAOYSA-N 441.491 5.099 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)/C(C)=C/c4ccc(OC)cc4)CCC3)cc2)C1 1785810320 MQZJHYPJJIEGIK-HTXNQAPBSA-N 430.548 5.199 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Cc3ccncc3)CCC2)cc1 1789458236 RGKSETMQEGHCRA-GBXCKJPGSA-N 431.580 5.163 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@@H]4Sc5ccccc5[C@H]43)cc2)CCC1 1789529483 HQROGOFOLYHASL-CCDWMCETSA-N 444.600 5.202 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5cnccc45)CCC3)cc2)c1 1790257295 SPTWZQBPBYMUJL-UHFFFAOYSA-N 446.510 5.168 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c(-c2ccc(F)cc2)c1 1794762241 BXYNMFNWOMKQCK-KOUNCHBCSA-N 437.559 5.065 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc4c(C)cccc4[nH]3)CC2)C1 1804862254 PFRBKKGRBKZWOF-UHFFFAOYSA-N 435.612 5.314 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2C2CC2)[C@@H]1c1cccnc1 1813758076 SYHWRTZKOHUQSJ-ZEVJAHDQSA-N 443.591 5.047 30 20 IKED CC1=CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)CC1 1823215256 PBZCHIZIDCKWKP-SELNLUPBSA-N 445.567 5.089 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc(C(F)F)c2)CC1 1829066051 MXEHXMFATHVFBX-NRFANRHFSA-N 447.570 5.245 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3cc(C)[nH]c23)CC1 1829066369 DNZWWYRGLPGRTE-DEOSSOPVSA-N 449.639 5.702 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)c2ccc(Cl)cc2)CC1 1832024853 KTDFKKBZTZQYRJ-HYBUGGRVSA-N 443.031 5.257 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)Nc1cccc(C)c1C 10168125 ZXZSSGKXYSIAQI-UHFFFAOYSA-O 431.625 6.328 30 20 IKED CCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2ccc(C(C)C)cc2)cc1 11262718 YMMSCNZGLBWJKQ-UHFFFAOYSA-O 438.016 6.364 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(C)c2)c1 14872179 VTCJFPWUUXAGHH-UHFFFAOYSA-O 444.407 6.203 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C)cc2)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 22731062 QPUTWOBDZQMFBK-UHFFFAOYSA-O 444.407 6.203 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 27381145 TZSPRPSTPNMOJA-LJQANCHMSA-N 439.540 5.870 30 20 IKED CC(=O)N[C@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(C)cc1 46861614 NSCHOCNNKDJLHE-ILBGXUMGSA-N 445.950 5.510 30 20 IKED CCOc1cccc([C@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 63392048 WZQUDGNUMQLFEU-IBGZPJMESA-N 429.520 5.613 30 20 IKED CC(C)(C)n1nc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1C1CC1 64715366 DWFIYQQEPSRZBH-ZDUSSCGKSA-N 426.492 5.407 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C3CCC(NC(=O)C4CCCC4)CC3)cc2)c1 78719908 QGYYIAIISZQDRY-UHFFFAOYSA-N 431.536 5.154 30 20 IKED N#CCCN(Cc1cccnc1)C(=O)c1ccc(-c2ccc(Br)cc2)s1 116351455 IHQXHKHIQXRJJO-UHFFFAOYSA-N 426.339 5.129 30 20 IKED C=CCN(C(=O)c1ccc(N(C)c2ccccc2)nc1)c1nc(-c2ccccc2)cs1 195609238 YLFCANDAHDDLRG-UHFFFAOYSA-N 426.545 5.806 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNCc2cn(-c3ccccc3)nc2-c2cccs2)c1 237024411 AMSVSYNLAVCVDK-QFIPXVFZSA-N 428.561 5.572 30 20 IKED CC[C@H](C)C(=O)Nc1cccc(CNCc2cccc(OCc3cccc(C#N)c3)c2)c1 237110561 JTOPHQGHKVWYOQ-FQEVSTJZSA-N 427.548 5.412 30 20 IKED Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3ccc(Oc4cccc(Br)c4)cc3)nc12 429577701 QRLGQPBTXLCVDN-GOSISDBHSA-N 447.292 5.311 30 20 IKED COc1cccc(Cl)c1-c1noc(C)c1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 430600087 WZTNCFKUCYGVRG-LBPRGKRZSA-N 429.929 5.556 30 20 IKED C=CCN(C(=O)c1ccc(C(=O)OC)o1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 432204723 VICAMLTTYUHUJI-UHFFFAOYSA-N 437.304 5.329 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)N[C@H]1COc2ccc(F)cc21 436394882 VFCYMVCJQSDBPX-CABCVRRESA-N 436.327 5.271 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)N[C@H]3C[C@H](c4ccc(C(F)(F)F)cc4)C3)CC2)c1 438031162 MLDPVYLSTWZQLI-KESTWPANSA-N 443.469 5.076 30 20 IKED COc1ccccc1-c1noc([C@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)n1 438054507 MWQSOYAQHQHVAI-GJZGRUSLSA-N 437.525 5.022 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCCc3ccn(-c4ccc(F)cc4)n3)cc2)c1 438057655 BJVLRZUHEZFYRL-UHFFFAOYSA-N 441.466 5.040 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCCN(Cc3ccccc3)CC2)cc1F 438643692 BBCPHUQTWYWRLQ-UHFFFAOYSA-N 444.510 5.229 30 20 IKED CCCc1c(NC(=O)Nc2cc(OC)c(Cl)cc2OC)cnn1-c1cccc(C#N)c1 439236351 KTASBKWIILVDHW-UHFFFAOYSA-N 439.903 5.011 30 20 IKED Cc1cc(Sc2ccccc2)ccc1NC(=O)C(=O)N[C@H](CCC#N)c1ccccc1 439425816 SHCHTSRMPRPUGH-HSZRJFAPSA-N 429.545 5.246 30 20 IKED Cc1cccc2nc(C3CCN(C(=O)Nc4cc(C#N)ccc4OC(F)F)CC3)oc12 444830412 SBXDIIVONADTQF-UHFFFAOYSA-N 426.423 5.021 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c1C#N 445563371 BSGFMGAHUSQNEP-UHFFFAOYSA-N 448.479 5.029 30 20 IKED N#Cc1c(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])sc2c1CCCC2 447180365 HRUFNXCVPOFAMT-UHFFFAOYSA-N 433.489 5.238 30 20 IKED C=C(C)Cn1c(SCc2coc(-c3ccc(OCC)cc3)n2)nnc1-c1ccncc1 448053220 HIVHTUPZJKWUCH-UHFFFAOYSA-N 433.537 5.262 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC=C(COC)CC1 460548436 CPEBQRAHEPKQPL-SFHVURJKSA-N 430.980 5.047 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2C[C@@H](CO)[C@H](c3ccc(Cl)cc3)C2)cc1 461270971 JUVUNJIZVWTWJZ-REWPJTCUSA-N 448.975 5.211 30 20 IKED CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccccc1Sc1ccccc1C#N 464985713 ODZYDXWUXAHPDQ-QFIPXVFZSA-N 441.600 5.304 30 20 IKED CC(C)N1[C@H]2CC[C@H]1CN(C(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)CC2 467610921 PGSVYSNILZOTHZ-QNWVGRARSA-N 436.987 5.474 30 20 IKED Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470851612 JIIXBGCJKMQPDB-IBGZPJMESA-N 432.568 5.287 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1cc(-c2ccccc2)ccc1Cl)c1ccccc1 471448022 ZKNRGAJMKZSZSO-UHFFFAOYSA-N 431.923 5.673 30 20 IKED COc1ccccc1[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1Cl 471682790 MFTJCNRLWUGYQH-HSZRJFAPSA-N 430.895 5.149 30 20 IKED CC(C)n1ncc2c1C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)CC2 480118860 MVTMWMWRURWSOW-IRLDBZIGSA-N 447.970 5.452 30 20 IKED C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 480282704 JQMSZWMVZHUTPX-LIRRHRJNSA-N 430.430 5.005 30 20 IKED COc1ccc2ccccc2c1-c1cc(CSCC(=O)Nc2cccc(C#N)c2)on1 481901183 PZWJXPOZYZIUDS-UHFFFAOYSA-N 429.501 5.247 30 20 IKED CC(C)OCCOCc1cccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 483590692 ZVAGSBKJMCTWQB-UHFFFAOYSA-N 430.504 5.544 30 20 IKED Cc1ccc(NCc2nnc(-c3ccc(C#N)cc3)o2)cc1OCc1cccc(Cl)c1 488127946 LEUAUCPKBAKMLU-UHFFFAOYSA-N 430.895 5.761 30 20 IKED COc1ccc([C@@H](NCc2cc(C#N)ccc2Br)c2ccccc2OC)cc1 492695256 IIYZXHGCMGRWPX-HSZRJFAPSA-N 437.337 5.217 30 20 IKED CN(Cc1ccccc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 496323101 HUCXBVNNYSMFEL-UHFFFAOYSA-N 430.455 5.288 30 20 IKED C=CCN(CCc1ccco1)C(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1 497367031 JPUWZNLPYPQBDM-UHFFFAOYSA-N 432.524 5.172 30 20 IKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2SC2CCCC2)cc1 498357641 ZHBMCIFBIFWIEK-UHFFFAOYSA-N 428.579 5.051 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(C[C@@H](C)c2ccccc2)o1 499336233 REXTXUHVUFIPOL-MRXNPFEDSA-N 425.579 5.425 30 20 IKED O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 500238876 RTAKGZRIAXFBLI-UHFFFAOYSA-N 440.271 5.336 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)CSc3nc4ccccc4o3)c2)cc1 501449529 JVQJIIDOXCMTGZ-UHFFFAOYSA-N 429.501 5.204 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)cc1 501660564 YPAOBCPXWULMKN-UHFFFAOYSA-N 436.537 5.157 30 20 IKED N#Cc1ccc(CSCC(=O)N(Cc2ccc(F)cc2)c2nc3ccccc3s2)cc1 501779419 NCPPFQMZJNNAQT-UHFFFAOYSA-N 447.560 5.774 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)c1cccc(-n2nccc2C(F)(F)F)c1 501940702 SYWPXADPRMCRIU-UHFFFAOYSA-N 436.393 5.203 30 20 IKED CC(C)(C)CC(=O)Nc1ccc(CC(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1 505947538 JAIZDFCQSRGGMF-IBGZPJMESA-N 432.351 5.292 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H](C#N)c1cccc(Br)c1 506527858 UVVBQRKYCZLTSG-IBGZPJMESA-N 448.345 5.467 30 20 IKED C[C@@H](CCNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 507008615 SVXXEUPSTRDGGS-MBSDFSHPSA-N 445.950 5.244 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(OCc3csc(C)n3)c2)cc1 508148392 NTORWAGIAALJMP-UHFFFAOYSA-N 447.560 5.097 30 20 IKED COc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 508275497 PPILVPRSODVUKK-QGZVFWFLSA-N 431.492 5.593 30 20 IKED C=CCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 508740179 OSDCSMABNUSYIX-YLJYHZDGSA-N 426.611 5.093 30 20 IKED C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(OC2CCCC2)CC1 508863772 LEMRUOMMPFYMSX-QGZVFWFLSA-N 430.980 5.186 30 20 IKED CCOc1ccccc1CN(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511373831 RJQYRQPUUBROGB-UHFFFAOYSA-N 429.520 5.394 30 20 IKED N#CC1(CCCSCc2ccc(I)c(Cl)c2)CCOCC1 512382499 IGFHHXHZKNDJCO-UHFFFAOYSA-N 435.758 5.278 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)c1 513485375 RBHVUXUTLMUCCO-QFIPXVFZSA-N 432.545 5.020 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 513532052 KKGUUNKWZIYGMD-NRFANRHFSA-N 428.454 5.332 30 20 IKED C[C@H](N[C@H](C)c1nnc(-c2ccccc2F)s1)c1ccc(-c2cccc(C#N)c2)cc1 514232599 NQNHQALYQVUILP-DLBZAZTESA-N 428.536 6.295 30 20 IKED N#C[C@H](C(=O)c1cccc(NC(=O)c2cccs2)c1)c1nc2cc(Cl)ccc2s1 515540001 LFEBPJVPAYVLPK-OAHLLOKOSA-N 437.933 5.754 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 516262584 OWMPKDIKLKAFOB-VWLOTQADSA-N 434.511 5.330 30 20 IKED Cc1ccc2c(c1)CC[C@@H]2NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 516730762 QNLFTBJAFJTJDK-UPVQGACJSA-N 443.934 5.046 30 20 IKED N#Cc1c(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)sc2c1CCCCC2 518603826 MKLQIZBPTBAGOO-UHFFFAOYSA-N 432.427 5.210 30 20 IKED CC(C)[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1nc(-c2cccnc2)no1 518755394 HJDZBWOSQQGLLQ-HNAYVOBHSA-N 436.541 5.045 30 20 IKED Cc1ncc(-c2ccc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)cc2)o1 518911576 BWXIRIMUHLNIBD-UHFFFAOYSA-N 425.492 5.296 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1 519932008 VVJBRKAOFHGHJP-DEOSSOPVSA-N 438.487 5.117 30 20 IKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)N[C@H](C)c1ccc(C#N)cc1 521276426 CAWGSEFFMZOEFB-GOSISDBHSA-N 449.576 5.500 30 20 IKED Cc1ccc([C@H]2CCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1C 521288459 ZEPSOXXUAIVRMQ-RUZDIDTESA-N 438.531 5.796 30 20 IKED COc1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c(Br)c1 522242057 WCVMZYLTFABSEG-UHFFFAOYSA-N 438.281 5.077 30 20 IKED C[C@H](Oc1ccccc1NC(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccccc1 522463431 SAQVFWWXNMZGSB-NRFANRHFSA-N 440.547 5.442 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)COc2ccc3ccccc3c2Br)c1 524379378 ASMGTAHNUKXESP-UHFFFAOYSA-N 447.235 5.093 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(F)ccc3Br)cc2)c1 524387599 MRUYGYZTHVWFQJ-UHFFFAOYSA-N 425.257 5.291 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cnc(-c4ccncc4)s3)c2)cc1 525561593 LMAIXYRNMGHIBD-UHFFFAOYSA-N 426.501 5.102 30 20 IKED N#C[C@@H](C(=O)c1cnc([C@H]2CCCO2)s1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 534105938 PQNLSBQGKJXTHP-QXJZKRQYSA-N 439.606 5.409 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccc(C(C)=O)cc3)cc2)cc1 536299470 HWTHSITZSDDYDA-UHFFFAOYSA-N 429.476 5.241 30 20 IKED COc1ccccc1Nc1ncccc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 537267091 QYJSLNUVKKMZIL-OAHLLOKOSA-N 433.418 5.069 30 20 IKED Cc1nc(-c2ccc([C@H](C)NC(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)cc2)cs1 543888081 VOOQKGYDNZDTBH-AWEZNQCLSA-N 446.511 5.198 30 20 IKED N#CCc1ccccc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 549693510 OHNVKPKYUPZUOY-UHFFFAOYSA-N 426.907 5.440 30 20 IKED Cc1ccc2oc(CN(Cc3ccco3)C(=O)c3cnc(C(F)(F)F)c(C#N)c3)cc2c1 550977594 IIPLHQOMVGOYOU-UHFFFAOYSA-N 439.393 5.462 30 20 IKED C[C@@H](NC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1c(F)cncc1F 558180871 CYLPITKCAAONTA-YMTOWFKASA-N 441.322 5.433 30 20 IKED C=C(C)Cn1c(COc2ccccc2Cc2ccccc2)nnc1N1CCC(C)(C#N)CC1 559004748 SCPHISGSVUTKAF-UHFFFAOYSA-N 441.579 5.154 30 20 IKED C=C(C)Cn1c(SCc2nc(C(C)(C)Cc3ccccc3)no2)nnc1-c1ccco1 562479919 HGUZBPTYXDXMTO-UHFFFAOYSA-N 435.553 5.310 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)c1ccccc1C(F)(F)F 564437283 CIXAPARXHWJUKW-UHFFFAOYSA-N 447.322 6.631 30 20 IKED C=CCn1c(-c2ncccc2C)nnc1N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 566037827 RHTOCBJLOONQFA-FQEVSTJZSA-N 441.583 5.149 30 20 IKED N#Cc1ccc(C[C@H](C#N)c2nc(-c3ccc(NC(=O)Nc4ccccc4)cc3)no2)cc1 572522251 DFUQZCNFZMBYDP-HXUWFJFHSA-N 434.459 5.102 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCc2cccc(F)c2[C@@H]1C 573296934 XSRQDIHPAPENIG-XZOYJPPVSA-N 432.543 5.362 30 20 IKED C[C@H](CCCC(F)(F)F)NC(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 578286059 CXNDPXBUBDQWAO-SNVBAGLBSA-N 426.336 5.273 30 20 IKED C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(Oc2cccnc2)cc1 579152659 WLAKQEKWOMHNBN-SFHVURJKSA-N 439.471 5.409 30 20 IKED N#CCCC[C@H](NC(=O)C(=O)Nc1cccc(CSC2CCCCC2)c1)c1ccccc1 580967458 PSMUGRLHWWKMRQ-DEOSSOPVSA-N 449.620 5.742 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 581342101 WJPNMCUFMFHPRI-HIFRSBDPSA-N 448.375 5.379 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cncc(Cl)c2Br)cc1 589015643 JDSLQWLLUQSYST-UHFFFAOYSA-N 442.700 5.200 30 20 IKED O=C(CNc1cccc(C(F)(F)F)c1)Nc1cccc(COCC(F)(F)C(F)F)c1 591435725 PEBAFAPKGWFTKN-UHFFFAOYSA-N 438.343 5.173 30 20 IKED Cc1sc2ncnc(Sc3ccccc3C(=O)N[C@@H](C)c3ccc(C#N)cc3)c2c1C 603510465 YYMWQVVYFIFZEP-HNNXBMFYSA-N 444.585 5.822 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)Nc3cccc(OCCCC#N)c3)s2)cc1OC 603972410 DPBRNPGZMQPSSR-UHFFFAOYSA-N 437.521 5.071 30 20 IKED Cc1cccc2sc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c(Cl)c12 604003697 SWOAKMPCJXPMGY-UHFFFAOYSA-N 446.959 6.761 30 20 IKED C[C@H](Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cn1)c1ccccc1 604005401 CAKDGUZBPQJEQQ-JXFKEZNVSA-N 426.501 5.230 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(-c2nc3c(Cl)cccc3[nH]2)cc1 608948030 PYKGUJCDJSNVSX-UHFFFAOYSA-N 446.942 5.182 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cnc(-c4ccccn4)s3)c2)cc1 609011393 UKAXTKJDIPPDBG-UHFFFAOYSA-N 426.501 5.102 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Nc2ccccc2OCC2CC2)cc1 610141269 PEQHNSXYECNQGY-UHFFFAOYSA-N 427.504 5.764 30 20 IKED C=CCN(C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 610169098 ALZBBPUKWLNBMV-SJORKVTESA-N 441.459 5.319 30 20 IKED CC(C)n1cc(Br)cc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 610290576 AZQCYUXICGKQSY-UHFFFAOYSA-N 425.286 5.143 30 20 IKED C[C@H](NC(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1)c1cccc(C#N)c1 610322168 KDQJGWBBZLUQPE-INIZCTEOSA-N 432.911 5.371 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(OCC4CCCCC4)CC3)cc2)c1 610324222 XCSOWIXYSXFFLU-UHFFFAOYSA-N 433.552 5.944 30 20 IKED COC[C@@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 610331181 WQQTXAUEKWJEBB-MRXNPFEDSA-N 431.336 5.105 30 20 IKED CCCOc1ccc2c(c1)CCN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)nc1)C2 610935856 LZYIKENCMDJVHQ-UHFFFAOYSA-N 428.492 5.125 30 20 IKED CN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)[C@@H]1CCCc2c1cnn2C 610973104 RAXOJERBIYLLNF-OAQYLSRUSA-N 449.942 5.065 30 20 IKED CC(C)CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@H]1CCCc2cccnc21 614137452 IKFQOPYNOMDSPH-QHCPKHFHSA-N 441.535 5.708 30 20 IKED C[C@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1csc(-c2ccccc2F)n1 643307138 UIRPSPSZZYXRKH-WUHRBBMRSA-N 440.428 6.509 30 20 IKED C=CCOc1ccccc1CN(C(=O)C[C@H](C)c1ccncc1)c1ccc2c(c1)OCCO2 675211017 HDHFSERXHMFYMB-FQEVSTJZSA-N 444.531 5.145 30 20 IKED N#C[C@H](C(=O)c1cc(Br)cc(Br)c1)c1ccc2ccccc2n1 678638136 BJODWUXDWUDGLG-HNNXBMFYSA-N 430.099 5.250 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 682778206 ZPOJNWJOEFCMNY-HSZRJFAPSA-N 442.003 5.075 30 20 IKED O=C(Nc1cc(Cl)c(Cl)cc1F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 685018308 BDGCZQDCQZQANQ-RNFRBKRXSA-N 427.147 5.727 30 20 IKED N#CCn1c(C(=O)OCc2cc(Cl)ccc2OCc2cccnc2)cc2ccccc21 729766920 NZLOWVMGQWPWGS-UHFFFAOYSA-N 431.879 5.149 30 20 IKED N#C[C@@H](C(=O)c1sc2cc(Br)ccc2c1Cl)c1nnc2n1CCCCC2 729891369 GMRWZUGBINFDPA-LBPRGKRZSA-N 449.761 5.125 30 20 IKED COc1ccccc1C[C@H](C)CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 730690313 SLOOOBCHYBEIIV-XJKSGUPXSA-N 432.467 5.769 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 730896874 XYCVQWAWOGTIFH-FCHUYYIVSA-N 439.437 5.216 30 20 IKED CCCOc1ccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1OCCC 732916864 UFTQXEGSHRMUJC-OAHLLOKOSA-N 427.570 5.125 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc3c(c2)oc2ccccc23)ccc1OC 733622080 PGQGRQVXDJSHJK-GOSISDBHSA-N 429.476 5.597 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3cccc(C4SCCS4)c3)c2)c1 734316236 LJBGVIIWKJJGIS-UHFFFAOYSA-N 432.570 5.868 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)cc2)C[C@@H](C)O1 734322914 PEYNWXYMHOXXKL-BGYRXZFFSA-N 441.531 5.003 30 20 IKED C=CC[C@@H](NC(=O)N1CCC(CCc2cccc(C(F)(F)F)c2)CC1)c1ccncc1 734683029 JIIOCZWTZNSNTL-JOCHJYFZSA-N 431.502 5.772 30 20 IKED N#CCOc1ccc(CC(=O)O[C@@H](c2ccccc2)c2ccccc2Br)cc1 735603207 HVCFKCYSBRRQFN-QHCPKHFHSA-N 436.305 5.227 30 20 IKED C[C@H](Sc1nnc(CCc2ccccc2)o1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 742460930 IZMOBCCBALIXEW-DBZAVIBRSA-N 433.577 5.216 30 20 IKED C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 743093702 XNZTTYCLLKUJGL-TVZXLZGTSA-N 430.596 5.460 30 20 IKED C[C@@H](COc1cccc(C#N)c1)OC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 744138512 ILWLFCMFWQQXKM-ZDUSSCGKSA-N 444.274 5.072 30 20 IKED CC(C)Oc1ccccc1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 749047840 IGAFWBNJOUWYLE-KRWDZBQOSA-N 445.371 6.323 30 20 IKED CC[C@@H](C)n1c(-c2ccccc2)nn(CN(CCOC)Cc2ccc(C#N)cc2)c1=S 749884541 PEQRJVGLUHFEDR-LJQANCHMSA-N 435.597 5.030 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 752618334 VUWCROKZUKAARK-DOTOQJQBSA-N 433.499 5.979 30 20 IKED C#CCNC(=S)/C(=C(/O)c1ccc(Oc2ccccc2)cc1)[n+]1ccc(C(C)(C)C)cc1 759062685 DFIFPDQJOHHLGQ-UHFFFAOYSA-O 443.592 5.498 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1c(C(F)(F)F)ccnc1Cl 759462276 PLVHUFVTKOVPTH-JIGDXULJSA-N 442.709 5.393 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)Nc3cccc(OCc4ccc(Cl)cc4)c3)CCO2)c1 761858658 SRTYYKYIDVCKNL-XMMPIXPASA-N 447.922 5.396 30 20 IKED Cc1ccccc1-n1nc(C)c2cc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)sc21 766257326 IUAJRJZTPRUAQZ-INIZCTEOSA-N 448.935 5.318 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)nn1-c1cccc(Cl)c1 777304115 MLGZKKXDCNHHBF-OAHLLOKOSA-N 447.709 5.102 30 20 IKED C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1 777984260 MRJASKZMTOKSSS-KRWDZBQOSA-N 439.481 5.380 30 20 IKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccc(-c3ccc(C)o3)s2)nc1C 781966958 FUJQQQAOULYZIR-UHFFFAOYSA-N 443.579 5.067 30 20 IKED C[C@H](OC(=O)C1(Nc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)c1cccc(C#N)c1 783082096 BNWZOYYGVCXQFY-IBGZPJMESA-N 449.551 5.044 30 20 IKED C[C@@H](NC(=O)[C@@H](C#N)C(=O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1Cl 787051801 VFKKSMGMTWDVIO-BMIGLBTASA-N 429.225 5.212 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(NC(=O)OC(C)(C)C)cn3)n2)cc1 796636119 WMZFSXWIUJQDQW-IBGZPJMESA-N 448.548 5.280 30 20 IKED CC(C)(C)c1cc(NC(=O)c2cc(S(=O)(=O)C3CCCC3)ccc2F)c(C#N)s1 797469528 ZWLRXDICNHXXHP-UHFFFAOYSA-N 434.558 5.025 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)CCCCOc2ccc(Br)cc2)s1 797570666 JJQXIRRDYMKLNU-MRXNPFEDSA-N 435.387 5.629 30 20 IKED Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)O[C@@H](C)C(=O)Nc1ccccc1C#N 797883467 GDPFNHBAKVYPJE-LBPRGKRZSA-N 444.274 5.013 30 20 IKED N#C[C@@H](C(=O)C1CCN(Cc2ccccc2)CC1)c1nc(-c2c(F)cccc2F)cs1 805868102 XWWWHJNMRVIHAI-SFHVURJKSA-N 437.515 5.177 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(C)[C@@H](C)Cc2ccccc2C(F)(F)F)cc1C#N 806365123 HYHKUZLUGROGBC-AWEZNQCLSA-N 448.445 5.240 30 20 IKED COCc1ccccc1/C=C(\C)C=Nn1c(C)nc2scc(-c3ccccc3)c2c1=O 814213928 WXJUPJWBNXZXKA-DPQJVJJRSA-N 429.545 5.517 30 20 IKED N#CCCN(C(=O)CSc1ncc(-c2ccccc2)n1Cc1ccco1)c1ccccc1 821683344 NPNADWDOSZDXAJ-UHFFFAOYSA-N 442.544 5.230 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1OC(C)C 915352262 GPZSSIIAJLSBOV-DVECYGJZSA-N 443.547 6.021 30 20 IKED N#C[C@H](C(=O)CCN1c2ccccc2Sc2ccccc21)C(=O)Nc1ccc(Cl)cc1 916884525 CVDMPUZQWAWRLK-GOSISDBHSA-N 447.947 5.680 30 20 IKED N#C[C@H](C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1ccccc1Cl 916907110 ULXPIDQHZXJAEC-OQHXTRMZSA-N 427.209 5.373 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Oc2ccc(F)cc2)cc1 916928778 UEDCDRIDZWFUOX-GOSISDBHSA-N 443.261 5.886 30 20 IKED CCCOc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OCC 916944418 DDOCJCCGTAWFHU-KRWDZBQOSA-N 435.307 5.142 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(NC(=O)c3ccco3)c2)cc1 916949575 PFQRBVIZFRUNIH-IIBYNOLFSA-N 429.476 5.007 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccccc2)Cc2ccco2)cc1 918300911 WZRRWVQWHSGKTM-AREMUKBSSA-N 449.510 5.103 30 20 IKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc4ccccc4c3)CCC2)cc1 1786371111 HKBMYMRNLLSJCB-HXUWFJFHSA-N 442.559 5.108 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc4ccoc4s3)CCC2)cc1 1786678174 IHVDUWQYAWRAEK-UHFFFAOYSA-N 426.563 5.161 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5ccccc5o4)cc3)CCC2)cc1 1789004687 QILPQBWNTAYTEG-UHFFFAOYSA-N 435.483 5.366 30 20 IKED Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)cc1 1790706269 VCDLMKJXOROQID-UHFFFAOYSA-N 437.543 5.052 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCC2CCCC2)[C@@H]1c1cccnc1 1810496064 ZXYONDDBEMUBSE-ISKFKSNPSA-N 425.617 5.050 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccccc3o2)n[nH]1 1818630792 YNJAMDPAPXJHDM-IBGZPJMESA-N 434.540 5.454 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)n[nH]1 1821523926 GFPNSBVXHQXEMB-HXUWFJFHSA-N 443.507 5.033 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)c(F)c2)CC1 1829067796 XWPHXGFNTGMNMG-HSZRJFAPSA-N 446.582 5.119 30 20 IKED O=C(/C(=C(\S)Nc1ccccc1)[n+]1ccc2c(c1)CCCC2)c1ccc2c(c1)CCC2 10170763 CZVVHCZPRRDDKU-UHFFFAOYSA-O 427.593 5.393 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2cc(C)n(C)c2C)[n+]2ccc3c(c2)CCCC3)cc1 10173509 AANBZJXYDXHVJD-UHFFFAOYSA-O 446.640 5.422 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(CO)c2)cc1 10173945 WAHUEKUGYLRKQY-UHFFFAOYSA-O 449.596 5.039 30 20 IKED C=CCn1c(SCC(=O)N(C)Cc2cccs2)nnc1-c1ccc(C(C)(C)C)cc1 10409411 RUCZJQQHFNWBLI-UHFFFAOYSA-N 440.638 5.241 30 20 IKED CSc1nc(C2CC2)cc(C(=O)OCC(=O)Nc2ccc(-c3ccccc3)cc2)c1C#N 10711306 HHPFCQFXPFROHT-UHFFFAOYSA-N 443.528 5.015 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2cccc(OC)c2)cc1 11259212 RHQIQNUBPOBPAF-UHFFFAOYSA-O 425.961 5.249 30 20 IKED C=CCn1c(=S)sc2c(=O)n(CC(=O)Nc3c(C(C)C)cccc3C(C)C)cnc21 12513090 YOENEKPUWYTRSZ-UHFFFAOYSA-N 442.610 5.060 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)CC)nc2scc(-c3ccc(C)cc3)c2c1=O 21577986 KOIFXNXQYWVDDL-CVEARBPZSA-N 441.622 5.015 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccoc1C 21925379 SEMLRPQYXXLONJ-OAQYLSRUSA-N 448.523 5.644 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)s1)=C(/S)Nc1c(C)cc(C)cc1Cl 22732852 IGTMTLNQKKEKQR-UHFFFAOYSA-O 444.045 6.228 30 20 IKED COc1cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc(OC)c1OCc1ccccc1 25439035 VTAQAVKJJFYGRT-UHFFFAOYSA-N 430.504 5.336 30 20 IKED COc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 58643698 XOOOKMRYIWOUAW-JOCHJYFZSA-N 441.531 5.907 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(C)o2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 59360103 BVFGNTZGYBSZSE-CJNGLKHVSA-N 443.642 5.888 30 20 IKED C=CCn1c(SCCC(=O)Nc2ccccc2Cl)nnc1-c1cccc(Cl)c1 59794799 WJCMJPRVKWERTL-UHFFFAOYSA-N 433.364 5.559 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccnc(Oc2ccccc2F)c1 426863478 FPGDLUMLJSBHKV-UHFFFAOYSA-N 432.499 5.252 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(c4ccncc4)CC3)cc2F)c1 429749768 SBEMATKQTNWJCV-UHFFFAOYSA-N 430.483 5.083 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 430624400 ICLFSIVYWKCIJE-HNNXBMFYSA-N 445.997 5.928 30 20 IKED CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(F)cc2C#N)c2cccs2)cc1 435634677 HHYHAMOIJKXVRW-NYHFZMIOSA-N 435.524 5.117 30 20 IKED CN(Cc1ccccc1NC(=O)N[C@@H](CCC#N)c1ccccc1)C(=O)c1cccs1 439383168 HHYBTOARHZEKIM-FQEVSTJZSA-N 432.549 5.187 30 20 IKED C[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)c1nc(Cc2ccc(Cl)cc2)no1 439558670 WPUHQUCOKHTCJO-KRWDZBQOSA-N 444.922 5.938 30 20 IKED C=CCC[C@H](NC(=O)c1sc(-c2ncccn2)nc1C)c1ccc(C(F)(F)F)cc1 441569480 RRPHWYXPRBALRA-INIZCTEOSA-N 432.471 5.365 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCCC[C@@H]1c1ccc(F)cc1F 442311891 CHAHLJLMCKDZSQ-FOIQADDNSA-N 443.519 5.051 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C 442364005 MGINUQVKUCUADC-GEPFMOHWSA-N 441.984 5.186 30 20 IKED C[C@@H](CNC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 443641572 MEMZAOVCWMMFOZ-JTQLQIEISA-N 436.318 5.335 30 20 IKED N#CCCCn1cc(C(=O)N2CCC[C@H]2c2ccc(Br)s2)c2ccccc21 444267369 KJGKOBVANFGEET-SFHVURJKSA-N 442.382 5.746 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)c1noc(-c2ccccc2)n1 446067500 CHDMWKJPZTXZNL-QGZVFWFLSA-N 433.537 5.255 30 20 IKED CC(C)c1ccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 446365804 CBJOHBMGGHFEIA-JOCHJYFZSA-N 431.923 5.696 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)Nc1cccc(Oc2ccccc2)c1 446419315 NFYRFDGJIXBBSN-KRWDZBQOSA-N 431.517 5.308 30 20 IKED C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C 460766781 DLKZMUCIKHNIAF-LSDHHAIUSA-N 439.387 5.009 30 20 IKED C=CC[C@H]1N(c2nnc(COCc3ccccc3)n2C[C@@H]2CCCCO2)CCCC1(C)C 461827819 FUSDRMYDRIUWBW-XZOQPEGZSA-N 438.616 5.135 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@H]1CCCC[C@H]1C(F)(F)F 463749027 HSZSTNCBHKOTJF-IRLDBZIGSA-N 445.485 6.031 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CC[C@H](CSc3ccccc3)C2)cc1 464323549 HVAFUMTWPMQJBL-QFIPXVFZSA-N 444.625 6.105 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(Cl)ccc2OC(C)C)cc1C 464678820 QQBPKVRJANGIKV-UHFFFAOYSA-N 436.943 5.774 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cc(C(CC)CC)no1 466116013 MYFVBAGGKJDZAC-UHFFFAOYSA-N 438.341 5.378 30 20 IKED C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Br)c(F)c1 469292596 YBEDANYPLGZXMX-AWEZNQCLSA-N 430.321 5.344 30 20 IKED N#CCCCn1cc(C(=O)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c2ccccc21 469532750 HLRWSLWABHNIPW-JOCHJYFZSA-N 441.453 5.178 30 20 IKED CC(C)CN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@@H]1CCCc2cccnc21 475977582 JQPWNLYYEUUFCS-HSZRJFAPSA-N 429.520 5.301 30 20 IKED N#CC[C@@H](CC(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccccc1 476986895 SJIPXKPLRPKCEJ-NZQKXSOJSA-N 448.364 5.332 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCc2c(Br)cccc2[C@H]1C 480592716 OFOHDRANGKEEHZ-HUUCEWRRSA-N 444.398 5.995 30 20 IKED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)cc1 480966621 CWNWPAOFPGDOSR-ZWKOTPCHSA-N 448.548 5.189 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1CCC[C@@H]1c1ccncc1 481977183 YVQWIVZNRFBRJA-OAQYLSRUSA-N 446.576 5.397 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2C)nnc1-c1cccc(OC)c1 488892307 PYXCMRZRUNCZOT-OAHLLOKOSA-N 442.972 5.221 30 20 IKED N#CCCCOc1cccc(NC(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)c1 490593310 VMIAJUOELSJEJI-KRWDZBQOSA-N 443.372 5.396 30 20 IKED Cc1cccc(-n2ncc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c2C)c1 501422244 LAYLPUBXFMETEF-UHFFFAOYSA-N 436.515 5.387 30 20 IKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1 501829931 NAVWVYFISQHATL-RNODOKPDSA-N 430.624 5.402 30 20 IKED N#C[C@H](C(=O)c1occc1CN1C(=O)Cc2ccccc21)c1nc2cc(Cl)ccc2s1 503572004 LMKHOOHDCMRCDA-MRXNPFEDSA-N 447.903 5.122 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3[nH]c4ccc(F)cc4c3Cl)s2)cc1 504464834 NJFKWGUJBVHSAI-UHFFFAOYSA-N 443.916 5.228 30 20 IKED CC(C)n1ncc2c(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)cc(C3CC3)nc21 505314911 RSYNFAFIVUQIKP-GOSISDBHSA-N 428.323 5.191 30 20 IKED COc1ccc([C@@H]2CCCCCN2C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1 505867728 HWOHJBVUEWOLSL-DEOSSOPVSA-N 435.543 5.066 30 20 IKED N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1cccc(C(F)(F)F)c1 505933292 HCSWIUIJOCOPJY-XHSDSOJGSA-N 428.332 5.089 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 505986541 JCOVASUZJGISJM-QGZVFWFLSA-N 449.429 5.183 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 508260975 VSGZMTSKANENEI-OAHLLOKOSA-N 432.436 5.150 30 20 IKED CCSc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 510229150 NXOCJXLEZADBRO-QGZVFWFLSA-N 445.544 5.278 30 20 IKED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cccc3ccccc23)cc1 510628683 IJZGYCNNWRJESI-XMMPIXPASA-N 449.576 5.015 30 20 IKED N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1ccc(C(F)(F)F)cn1 513191641 RQVBUGVYEVNBAD-KRWDZBQOSA-N 427.338 5.291 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccn(-c2cccc(Br)c2)n1 518738905 DQNQQINSJNNFGF-AWEZNQCLSA-N 441.354 5.281 30 20 IKED C[C@H](Nc1cccc(OCC(F)(F)F)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 519163513 RIXGIIYVOALCAC-ZDUSSCGKSA-N 437.487 5.269 30 20 IKED Cc1ccccc1-n1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c2c1CCC2 520463285 AGKSOMOTPYADAK-HXUWFJFHSA-N 449.539 5.155 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 521259141 IWBPUSLJDOIFMG-QGZVFWFLSA-N 448.592 5.027 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 521730736 RANDQJVNSJVGFU-UONOGXRCSA-N 448.375 5.237 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC(C)(C)Cc1ccc(Br)cc1 521748195 PKKOWQWURWTOSE-HNNXBMFYSA-N 446.414 5.844 30 20 IKED CCN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@H](C)c1cccc(C(F)(F)F)c1 522677154 GHANQHVMVJOHDF-GOSISDBHSA-N 445.485 5.342 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccnc(Oc4ccccc4)c3)n2)cc1 522875724 HMYBJJPVAVIQFL-FQEVSTJZSA-N 427.485 5.496 30 20 IKED COc1ccc(Cl)cc1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 523937613 XCDWESPDDNFAFV-UHFFFAOYSA-N 437.902 5.271 30 20 IKED CCCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)cc1OCC 524032590 YSYCDUPMSNWPTF-INIZCTEOSA-N 425.916 5.592 30 20 IKED Cc1cc(OC(C)C)ccc1NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 526117021 OIBFSQFELBFVOW-UHFFFAOYSA-N 447.466 5.163 30 20 IKED Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 535295862 YAWZFRGEWQXXJW-PMACEKPBSA-N 438.453 5.316 30 20 IKED C=C[C@H](CC(=O)N1CCC[C@@H](N(C)C(=O)C[C@@H](C=C)c2ccccc2)CC1)c1ccccc1 536232748 MJIJXWSOSZXDTD-FKCDAAJZSA-N 444.619 5.546 30 20 IKED C=CCC[C@H](NC(=O)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2)c1ccccc1 537564033 ZGTBPWJIYOQUHE-FIXSFTCYSA-N 440.534 5.282 30 20 IKED Cc1cc(NC(=O)c2ccccc2Oc2ccccc2C#N)ccc1NC(=O)c1ccco1 538692812 HSGPSCDNANLRDK-UHFFFAOYSA-N 437.455 5.757 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)Cn2c(-c3cscn3)nc3ccccc32)cc1 539202503 JPOZRYIEWZONTO-UHFFFAOYSA-N 449.539 5.015 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)cc1 540275896 LAWQHZFWYZZICB-AHWVRZQESA-N 425.532 5.192 30 20 IKED Cc1[nH]nc(C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c1C 542170457 QOFLCFMASDJYPP-GFCCVEGCSA-N 433.274 5.098 30 20 IKED N#Cc1ccc(CN2CCC(Nc3ccc(NC(=O)c4ccco4)c(Cl)c3)CC2)cc1 542831337 MTHGYMWIIKGUOK-UHFFFAOYSA-N 434.927 5.133 30 20 IKED N#C[C@H](C(=O)c1cccc2nccnc12)c1nc(-c2ccc(Cl)cc2Cl)cs1 543574281 QPGIJSNXGFQZCP-CQSZACIVSA-N 425.300 5.550 30 20 IKED C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc(OCc2nccn2C)cc1 543960908 FNCAVQACKAYITN-RTWAWAEBSA-N 436.559 5.950 30 20 IKED CCN1C(=O)CCc2cc(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)ccc21 546109028 XTEWOBRNFJDDLS-UHFFFAOYSA-N 427.529 5.261 30 20 IKED CC(=O)Nc1ccccc1-c1noc(-c2cccc(Oc3ccc(Cl)cc3C#N)c2)n1 546957116 UGECXOSRGBAGOX-UHFFFAOYSA-N 430.851 5.679 30 20 IKED COc1cc2c(cc1F)CC[C@@H]2NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 549233116 PLLNVYAVRCMFAQ-DEOSSOPVSA-N 447.485 5.244 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 558227445 INOYNKIKJYEFFF-UHFFFAOYSA-N 447.251 5.163 30 20 IKED COc1cccc(C2(NC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)c1 562148928 YCDRSYSWUFXPNF-UHFFFAOYSA-N 427.504 5.265 30 20 IKED COc1ccccc1-c1nc(C2CCN(Cc3ccc(C#N)cc3C(F)(F)F)CC2)no1 562212093 QXYPWTRSBPHKAA-UHFFFAOYSA-N 442.441 5.015 30 20 IKED CC1(C(=O)N(Cc2ccccc2)c2ccncc2)CCN(c2ccc(Cl)cc2C#N)CC1 564144138 PZRVZXIWIBMDGV-UHFFFAOYSA-N 444.966 5.447 30 20 IKED COc1cccc(OC)c1Oc1ccc(CNc2cccc(Br)c2C#N)cn1 572450455 DEMRBRUINDFTIN-UHFFFAOYSA-N 440.297 5.137 30 20 IKED N#Cc1ccc(CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c(C(F)(F)F)c1 575844295 VXBKYVLIQHNSTG-QGZVFWFLSA-N 430.405 5.146 30 20 IKED C[C@]1(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)OCCc2sccc21 576388733 ZXYRTWYZUWELAU-RUZDIDTESA-N 447.560 5.003 30 20 IKED CCC(CC)N(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@@H]1CCCc2cccnc21 588972831 HMWJTGUZKNOYEF-RUZDIDTESA-N 448.586 5.404 30 20 IKED O=C(Cc1coc(-c2ccc(F)cc2)n1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 603440391 YCUVICWYBBWUHN-RYUDHWBXSA-N 438.343 5.049 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 603519451 HJJOXPPHQSYVKJ-UHFFFAOYSA-N 437.952 5.578 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)cn2)c1 603622679 CAUKFBVHTPDNFU-UHFFFAOYSA-N 434.455 5.250 30 20 IKED COc1ccc(NC(=O)Nc2cccc(C#N)c2)cc1NC(=O)c1ccc(Cl)cc1F 603960374 OESWTBDLVCIGMC-UHFFFAOYSA-N 438.846 5.256 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 603968622 GYGBOIMXYSUDOI-UHFFFAOYSA-N 447.394 5.388 30 20 IKED CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)NCc1cccc(C#N)c1 604361615 VMULAJJNUHYQML-UHFFFAOYSA-N 427.426 5.569 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604488200 NWONUJGZXAHMTM-HZPDHXFCSA-N 433.396 5.165 30 20 IKED Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@H](C#N)c3nc4cccc(C)c4[nH]3)cc12 605363627 SCZAXLSWEOBABW-SFHVURJKSA-N 425.517 5.129 30 20 IKED CC(C)OC(=O)c1ccc(Cl)c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1 609061338 PEGYBMFBBHNIAO-UHFFFAOYSA-N 438.867 5.201 30 20 IKED COc1ccccc1-c1nc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cs1 609064633 IYUJRTPKWWLPDC-UHFFFAOYSA-N 441.512 5.522 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N[C@H](c3ccc(F)cc3)[C@@H]3CCCO3)c2)cc1 609208417 JSDPZGAQBFCDRZ-BJKOFHAPSA-N 431.467 5.531 30 20 IKED Cc1ccc(Sc2ccc(Cl)cc2NC(=O)NC2CCN(CC#N)CC2)c(C)c1 609338877 RHNLOODAPPQKMF-UHFFFAOYSA-N 428.989 5.218 30 20 IKED Cc1c(C#N)c(NC(=O)CNC(C)(C)c2ccc(C(C)C)cc2)n(Cc2ccco2)c1C 609358321 ZMDSYFGWVBBHSE-UHFFFAOYSA-N 432.568 5.205 30 20 IKED CCOC(=O)CCc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1 610049177 JMRNDELYERECNE-UHFFFAOYSA-N 432.451 5.238 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F 610143492 OYLSTRQDZNHOCX-UHFFFAOYSA-N 447.404 5.895 30 20 IKED COc1cc(CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)ccc1C 610167022 NYLOUXIKFVANHE-UHFFFAOYSA-N 429.520 5.127 30 20 IKED C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 611556545 YIDCIXJYIPMRLB-OGWOLHLISA-N 435.877 6.190 30 20 IKED COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC(F)F 613319816 POWSWVJEWZQPGN-AWEZNQCLSA-N 434.851 5.564 30 20 IKED C[C@@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1 618878739 YDMLKBMIBCDZRM-OSPHWJPCSA-N 441.556 5.154 30 20 IKED C=CCN(Cc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1)c1ccccc1 674871416 XMGOCQKZWIEBQN-UHFFFAOYSA-N 431.483 6.039 30 20 IKED CC(C)Oc1c(F)cc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F 680240139 FFDBNWPGZDGDBR-NXEZZACHSA-N 434.327 5.347 30 20 IKED COc1ccccc1Oc1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1F 726475576 BPZWJGRXDSXKGW-UHFFFAOYSA-N 427.888 5.961 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=S)Nc1c(Cl)ccc(C)c1Cl 728445510 FLKSJGQOJMCZJY-UHFFFAOYSA-N 442.371 7.083 30 20 IKED Cc1cccc(Nc2nn(CN3CCC(Oc4cccc(C#N)c4)CC3)c(=S)s2)c1 729470568 AIXWIVPVDORJAQ-UHFFFAOYSA-N 437.594 5.099 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccc(Cl)c(Cl)c1 733079612 FXCDXZZCDBDTFK-UHFFFAOYSA-N 426.229 5.700 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2sc(-c3ccc(C)cc3C)nc2C)ccc1OC 733228928 SBNWCVWDNBGWPS-IBGZPJMESA-N 449.576 5.355 30 20 IKED C#CCN(C(=O)N[C@H](C)c1cc(C)sc1C)[C@H]1CCOc2ccc(Br)cc21 733337842 MXJPALLNSRRVJI-KUHUBIRLSA-N 447.398 5.357 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Cc2cccc(OCc3ccccc3Cl)c2)c1 733771791 VALLKIDRSITWSP-QFIPXVFZSA-N 448.950 5.459 30 20 IKED Clc1cccc(C=NOCc2nc(-c3ccc(Br)s3)no2)c1Cl 733998458 XZHMEVMXKKJXKK-UHFFFAOYSA-N 433.114 5.418 30 20 IKED N#C[C@@H](C(=O)C[C@@H]1CCOc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 735592587 BFNXICGESVTXKR-GUYCJALGSA-N 443.355 6.250 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1nc(-c2ccccc2)cs1 741430790 MJIKUEIWRVEZAI-YESZJQIVSA-N 428.435 5.689 30 20 IKED COc1ccc2c(c1)C(=O)/C(=C/c1csc(N(C(C)=O)c3ccc(F)cc3F)n1)CC2 741848914 RAXSYAOIOUBUEM-OQLLNIDSSA-N 440.471 5.327 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)c1cc(N2CCOC2=O)ccc1F 741920220 IGWKFFJWKBSWPT-UHFFFAOYSA-N 449.869 5.154 30 20 IKED CCOc1cc(/C=C\C(=O)c2cc(Cl)sc2Cl)ccc1O[C@@H](C)C(=O)N(C)C 744865831 NCIZVHPWNTWSOY-VFFGBVLKSA-N 442.364 5.205 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)c1ccc(N2CCOC2=O)cc1 748585167 XERLLTXOLDRNCD-VAWYXSNFSA-N 435.911 5.054 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@@H](C)c2nc3ccccc3s2)n(C2CCCCC2)c1C 754704683 SVSUQRVVBSLSQD-INIZCTEOSA-N 435.597 5.381 30 20 IKED Cc1c(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cccc1-c1ccccn1 755016082 QMTOTJSAZXUDHJ-KRWDZBQOSA-N 445.544 5.104 30 20 IKED COc1ccc(C(=O)CCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 760202790 TZWKVBOWDFTBDY-OAQYLSRUSA-N 443.528 5.310 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC2CCC(O)(c3ccccc3)CC2)cc1 760987715 JCQYAXZMENAIBW-UHFFFAOYSA-N 442.584 5.411 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 761843675 SXBVJZGOTQHUTN-RUZDIDTESA-N 438.487 5.136 30 20 IKED CC(C)c1cc(Br)ccc1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 761892335 TTYDQRRJNFMLKE-FQEVSTJZSA-N 428.330 5.050 30 20 IKED CC(C)[C@@H](c1ccc(Br)cc1)c1noc(Cc2ccc(OCC#N)cc2)n1 762363769 IJVPOWMWSFCRTG-FQEVSTJZSA-N 426.314 5.113 30 20 IKED CCc1cc(Oc2cnc(-c3noc(Cc4ccc(OCC#N)cc4)n3)cn2)ccc1Cl 762365876 GZTYUOQHOYPSOR-UHFFFAOYSA-N 447.882 5.028 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccc([N+](=O)[O-])c1 763944916 PHYDGIDGRUFUSV-ZBEGNZNMSA-N 446.315 6.005 30 20 IKED COc1ccc(Nc2nn(CN3CC=C(c4ccc(C#N)cc4)CC3)c(=S)s2)cc1 767986165 GADSWSDZNBNDII-UHFFFAOYSA-N 435.578 5.045 30 20 IKED C[C@H](OC(=O)C1CCC(C(F)(F)F)CC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 769439621 GPPGNFJCPPKEAJ-HSBZDZAISA-N 442.503 5.128 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)n1 770140235 BWRZMSYUQUTNRM-HLLBOEOZSA-N 426.542 5.147 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 770270707 NXKPXDMXEFAJGH-UHFFFAOYSA-N 449.339 5.033 30 20 IKED CC(C)n1ncc2c(C(=O)OCc3ccc(C4(C#N)CC4)cc3)cc(-c3ccco3)nc21 777147172 FAUXVWFYJTWKPQ-UHFFFAOYSA-N 426.476 5.184 30 20 IKED Cn1cc(CNc2ccccc2SC[C@H]2CC2(Cl)Cl)c(-c2ccc(C#N)cc2)n1 779044085 GWBFBALCZGBOTR-GOSISDBHSA-N 443.403 5.857 30 20 IKED CCSc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccc(C#N)cn2)cc1 780556186 NDWPXKALOKKQPQ-UHFFFAOYSA-N 425.561 5.208 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2cccc(Oc3ccncc3)c2)cc1 784807381 UUQGQTVXSQBAFH-RUZDIDTESA-N 448.482 5.107 30 20 IKED C[C@@H](NC(=O)[C@H](C#N)C(=O)c1ccc(Br)s1)c1ccc(Cl)cc1Cl 787050927 GLLICERHLPKQKB-LDYMZIIASA-N 446.153 5.017 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cnn(C(C)(C)C)c2C)cs1 787186077 FDSADGHCCPORFB-DHZHZOJOSA-N 426.517 5.123 30 20 IKED N#CC1(CCCOC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CCOCC1 800185703 MNERLRSXTZCSLL-UHFFFAOYSA-N 426.494 5.003 30 20 IKED Cc1ccc([C@@](O)(Cc2nc([C@H](F)c3ccc(C(F)(F)F)cc3)no2)C(F)(F)F)o1 800999728 CIGILUUBKYZKCO-ZBFHGGJFSA-N 438.299 5.041 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)cc1 806200505 FUSJJVOCJBVWRP-AZGAKELHSA-N 445.513 6.436 30 20 IKED N#C[C@@H](C(=O)c1ccnc(C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 808978149 FCQNWRPIQHQWCV-LBPRGKRZSA-N 442.249 6.021 30 20 IKED Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cs1 810824198 TXGWKNGVTSXQJF-MRXNPFEDSA-N 441.597 6.166 30 20 IKED Cn1cc(/C=C2\CCc3c(Br)cc(Br)cc3C2=O)c(C(F)F)n1 812241437 DZMIKOHDWUKZSF-XBXARRHUSA-N 446.089 5.095 30 20 IKED O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N(O)Cc1cc(Cl)cc(Cl)c1 901379732 CZCYXBNDIANAAV-UHFFFAOYSA-N 426.687 5.047 30 20 IKED N#CC(CCOC(=O)CCc1ncc(-c2ccccc2)o1)(c1ccccc1)c1ccccc1 914888292 FNMKYCBPOJAQBW-UHFFFAOYSA-N 436.511 5.717 30 20 IKED CCOC(=O)Nc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 915656312 OEOMXIZRSDRAOX-NRFANRHFSA-N 433.895 5.816 30 20 IKED COc1cc(C=NN(Cc2ccccc2)c2ccccc2)ccc1OC(=O)c1cccnc1 916249633 COTDIQMDMTVNMD-UHFFFAOYSA-N 437.499 5.350 30 20 IKED C=CCN(C(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC)C(C)C 916707212 MSJQIQDVOXMOCE-UHFFFAOYSA-N 425.529 5.165 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccccc1Cl 916904998 HOJAKKOHSMTRFU-HNNXBMFYSA-N 430.316 5.007 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc2ccccc2n1Cc1ccccc1F 916911940 OLJXQPZJWNDVTN-SFHVURJKSA-N 445.881 5.443 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCCCc2ccc(Br)cc2)cc1 916912664 ILURNXCAPJHMQC-FQEVSTJZSA-N 427.342 5.072 30 20 IKED Cc1ccc(/C=C\C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)c(Br)c1 916916628 YGHXCGFYEQXRIH-JZHDPFOFSA-N 433.305 5.272 30 20 IKED CC(=O)c1ccc(-c2ccc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1 916941849 AJCXJFSYVARUND-SFHVURJKSA-N 441.270 5.417 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(Br)cc2)cs1 917558611 ZNRCDHVSZVJRPV-XFXZXTDPSA-N 441.350 5.795 30 20 IKED CCOC(=O)Cc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1 917560105 HAWTUNQVRSCKFB-SDNWHVSQSA-N 448.544 5.138 30 20 IKED CCOc1cccc2cc(C(=O)/C=C\c3csc(COc4ccc(OC)cc4)n3)oc12 920064434 SLCNUPMYZSAKIO-GHXNOFRVSA-N 435.501 5.772 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4n[nH]cc4c3)CCC2)cc1 1785842127 OEIYQBFRROKNHH-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)cc2)CCC1)C(F)(F)F 1786032609 WMAWXMYKCYDBHJ-VQTJNVASSA-N 446.444 5.182 30 20 IKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc(F)ccc5s4)CCC3)cc2)CC1 1787880365 LSAVXEKJXPAFOJ-UHFFFAOYSA-N 433.508 5.092 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc4c[nH]nc34)cc2)CCC1 1788454029 YCPNXHCYIPXGNM-OAQYLSRUSA-N 428.536 5.079 30 20 IKED Cc1ccoc1C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1788691060 HORBIFNJYBNBQO-UHFFFAOYSA-N 436.628 5.387 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4n[nH]cc4c3)CCC2)cc1 1789451645 PUJYFNQHBPPWDP-JOCHJYFZSA-N 428.536 5.079 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(C)=O)cc3)CCC2)cc1 1789454813 DZKRVSBCUGRPLS-XMMPIXPASA-N 445.563 5.161 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)nn3C)cc2)CCC1 1789841586 ACPYGFVBNSWUPC-UHFFFAOYSA-N 448.954 5.064 30 20 IKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)/C=C/C4CCCC4)cc3)CCC2)c1 1790515146 KBOOXWNKTAUKOS-KPKJPENVSA-N 443.547 5.061 30 20 IKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)C[C@H](C)c2ccccc2)[C@@H]1c1cccnc1 1803089104 LTPFMFONLKFTQD-IDNYDCHQSA-N 445.607 5.050 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCCCC(C)(C)C)C3)c1 1803684022 KZQNMZCYAJLRRD-LSUHJGNXSA-N 437.628 5.562 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cccc4ncsc34)CC2)C1 1804862231 NLZJOCWZWRKIMN-UHFFFAOYSA-N 439.625 5.134 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C3CC3)cc2)[C@@H]1c1cccnc1 1811846923 ANBFMSZDDNVFIG-RPBOFIJWSA-N 445.607 5.271 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3occc3c2)[nH]n1 1814442920 ARGQIVZYRSNDCA-FQEVSTJZSA-N 434.540 5.454 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccccc3)CCCC2)n[nH]1 1814684886 KVDYUIIHEJMRDH-HSZRJFAPSA-N 446.595 5.107 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3cnccc3c2)[nH]n1 1819305883 QOWAVLJEPADUJO-GMAHTHKFSA-N 443.551 5.032 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1819557038 UMWJQIHCAFMUTP-XMSQKQJNSA-N 447.583 5.335 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc(F)cc(F)c2)CC1 1827176780 KVQIMYXJMKQUEL-HSZRJFAPSA-N 446.582 5.119 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ncccc23)CC1 1828027466 DSDJAFLJEUPEQO-ATIYNZHBSA-N 445.607 5.237 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 1831376040 IKGBHJAQMLQGQL-WMZHIEFXSA-N 443.031 5.204 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(Cl)c2C)CC1 1831441777 GDEQXQKYXGLQBI-HXUWFJFHSA-N 438.946 5.093 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 1832034115 LHJPVVMIFPITNV-HVCNVCAESA-N 428.661 5.262 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3CC4(CCC4)C3)CC2)c1 1832480637 ZMCQBTUZCLQFAX-CJFMBICVSA-N 447.623 5.127 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)ccc(Cl)c2F)CC1 1832687523 CPNYYPIRGOUGRU-DNVCBOLYSA-N 438.946 5.064 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccc(C)cc2)cc1 10173292 SBZBHRTVSJACQW-UHFFFAOYSA-O 431.625 6.409 30 20 IKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc(-c3ccccc3)cc2)[n+]2cccc(O)c2)c1 11268524 POVPGBJABGHVEG-UHFFFAOYSA-O 439.560 5.706 30 20 IKED CCOC(=O)c1sc(NC(=O)Cc2sc(C)nc2-c2ccc(C)cc2)c(C#N)c1C 14596525 DKDPLOBSJOUWLH-UHFFFAOYSA-N 439.562 5.026 30 20 IKED CCOc1ccc(-n2c(S[C@H](C)C#N)nnc2-c2ccc(Br)cc2)cc1 23537292 YTMUZHDEBHXLNE-CYBMUJFWSA-N 429.343 5.100 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2ccccc2)c(C)[nH]1 23602876 GRRAUFQEURJITI-UHFFFAOYSA-O 432.541 5.285 30 20 IKED C=CCNC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 29811624 HSAAEBBCXRGSFM-GFCCVEGCSA-N 440.853 5.105 30 20 IKED CSc1nc(O)c(C(=O)Nc2ccc(Sc3ccc(Cl)cc3)cc2)cc1C#N 60638802 NRWQAKFHJAJVFK-UHFFFAOYSA-N 427.938 5.438 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H](c2ccccc2)c2ccco2)cc1OC 61556154 PVQKEJKQPRLRJW-NRFANRHFSA-N 428.326 5.495 30 20 IKED C[C@@H](Sc1ncc(-c2ccccc2)n1CC(F)(F)F)C(=O)Nc1cccc(C#N)c1 109621828 AUFJSLKZKDMEAY-CQSZACIVSA-N 430.455 5.103 30 20 IKED N#CCCCCSC1=N/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F 195533416 OMONFJVWRXNELX-AQTBWJFISA-N 448.350 6.303 30 20 IKED C=CCn1c(SCc2noc(-c3ccc(Cl)cc3)n2)nnc1-c1ccccc1F 219523073 OEJTVXPEXFGXID-UHFFFAOYSA-N 427.892 5.266 30 20 IKED COc1ccc(CNCc2cn(CCC#N)nc2-c2ccccc2)cc1OC1CCCC1 237450440 QGHONPCBPNEKGE-UHFFFAOYSA-N 430.552 5.084 30 20 IKED COCCOc1c(Cl)cccc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 303582544 FEONMQLQNMJIFH-UHFFFAOYSA-N 436.895 5.068 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)ccc21 303672139 YXMAAETUPAXVIT-AWEZNQCLSA-N 446.498 6.283 30 20 IKED COc1ccccc1CSc1ccccc1N[C@H]1CCN(c2sccc2C#N)C1=O 431214874 YBJSPKPFWHWPGP-IBGZPJMESA-N 435.574 5.138 30 20 IKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 432786201 OJXVHTJWGIZGLX-XXBNENTESA-N 442.519 5.087 30 20 IKED Cc1cc(SC2CCCCC2)ccc1NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 432831198 IRIRVKCMQCNVKK-IBGZPJMESA-N 436.581 5.372 30 20 IKED CCCn1c(SCCC(C#N)(c2ccccc2)c2ccccc2)nnc1-c1ccncc1 434644396 VGOBQKOEENVDGC-UHFFFAOYSA-N 439.588 5.742 30 20 IKED CC(C)c1nnc2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cn12 438507180 IZVIWUHOUWLPAU-UHFFFAOYSA-N 427.533 5.269 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccnc(-c2ccc(Br)cc2)n1 441913217 XGHMJIQWMMAQPZ-YADHBBJMSA-N 433.353 5.178 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1NC(=O)CC(C)C 442671558 MVMPUOLBPAHBKK-INIZCTEOSA-N 425.941 5.733 30 20 IKED COc1cc(CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1F 444733065 LGGWKLZLRYXQBJ-AWEZNQCLSA-N 440.315 5.545 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3ccc(Cl)c(C(=O)Nc4ccccc4)c3)on2)c1 447516883 QLJPYQPOOYCFRH-UHFFFAOYSA-N 442.862 5.371 30 20 IKED Cc1c(Br)ccc(NC(=O)c2occc2COc2cccc(C#N)c2)c1F 447640224 IEGWQNOBQFMYBU-UHFFFAOYSA-N 429.245 5.193 30 20 IKED C=CCN(Cc1cccs1)C(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 448136899 KFUZEHIAZOVVCO-UHFFFAOYSA-N 443.615 5.131 30 20 IKED CC(=O)N[C@H](CC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1)c1cccs1 460343565 OOBMNEKIXZMXKD-OAQYLSRUSA-N 437.952 5.074 30 20 IKED N#CCSc1ccccc1NC(=O)CNc1cc(Br)cc(C(F)(F)F)c1 462180824 NLXUTORXJIANAO-UHFFFAOYSA-N 444.276 5.134 30 20 IKED C=CCN(C(=O)CS[C@@H](C)[C@H](C)O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 463231721 OQIOQHLSYPXIGW-RYUDHWBXSA-N 431.410 5.138 30 20 IKED CC(C)c1nn(C)c2sc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc12 463295716 ONRIHKCXTOPDSJ-UHFFFAOYSA-N 444.560 5.656 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2sc3c(c2C#N)CCCC3)cc1C 465452524 MSDSPRWZQIVNQB-UHFFFAOYSA-N 429.549 5.145 30 20 IKED COc1cccc(F)c1[C@H](C)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 466114881 GHVVXMJWLTYTNL-KRWDZBQOSA-N 433.483 5.362 30 20 IKED Cc1coc(-c2ccc(C)c(NC(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)c2)n1 470571217 WPGVWUPICZFBPS-UHFFFAOYSA-N 443.507 5.185 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C(=O)NCCc2cccs2)CC1 475579468 BIYCUNOYUCMKSM-UHFFFAOYSA-N 439.625 5.203 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(F)ccc1-n1cccn1 475588820 QOQWPHSNAABQHZ-UHFFFAOYSA-N 426.451 5.023 30 20 IKED N#CC[C@@H](CC(=O)N1CCCCC[C@@H]1c1noc(-c2ccc(F)cc2)n1)c1ccccc1 476673786 YWRKHSXJOBXXDU-RBBKRZOGSA-N 432.499 5.407 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CCC(=O)c1cc(Br)ccc1OC 476789173 DTNBAAXCAYQCOA-UHFFFAOYSA-N 444.369 5.911 30 20 IKED Cc1ccc(Br)c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 477454255 QUYIWQFKSLJNBQ-UHFFFAOYSA-N 445.367 5.025 30 20 IKED CCOC(=O)c1csc([C@H]2CCCN2C(=O)Nc2ccccc2C#Cc2ccccc2)n1 484508903 BKFYNLWNFBJOHX-JOCHJYFZSA-N 445.544 5.089 30 20 IKED O=C(CC1(C(F)(F)F)CC1)Nc1cc(F)cc(NC(=O)CC2(C(F)(F)F)CC2)c1 485215000 ZNJBAMFHVBNUJG-UHFFFAOYSA-N 426.332 5.168 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)cc1 486218075 HABARYDVKNTXQC-UHFFFAOYSA-N 432.386 5.590 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1 487834744 BYJQKCLMIIZWCC-UHFFFAOYSA-N 447.844 5.390 30 20 IKED C[C@H](NC(=O)Nc1ccc(F)cc1OCC(F)(F)F)c1nc(C(F)(F)F)cs1 488080754 AWXGAEBAQOIMKD-ZETCQYMHSA-N 431.333 5.125 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)C2(c3cccc(Br)c3)CCCC2)cc1 489539137 RAUXJYZPBWGDPM-UHFFFAOYSA-N 442.357 5.207 30 20 IKED C[C@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(Br)cc1 499608434 IWSDBNMZSWMFJU-KRWDZBQOSA-N 449.348 5.836 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)O[C@H](C)C2 499846229 ZSDXSEQWEOJLMH-BDOZRKEQSA-N 445.346 5.200 30 20 IKED CCCn1nccc1C1CCN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)CC1 501561618 PHPBXMLCADNDAI-UHFFFAOYSA-N 444.579 5.132 30 20 IKED N#Cc1ccc(Oc2ccc(-c3nc(-c4ccc(OCc5cccnc5)cc4)no3)cc2)nc1 504833557 MAVGECRGTRZQEC-UHFFFAOYSA-N 447.454 5.437 30 20 IKED N#C[C@@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccccc1Cl 505635947 MNQZZRGRAUZAGI-QGZVFWFLSA-N 430.316 5.302 30 20 IKED COC(=O)c1ccoc1CSc1ccccc1C(=O)N[C@H](C#N)c1ccccc1Cl 505695679 WCGUBRCBTLQLJY-GOSISDBHSA-N 440.908 5.007 30 20 IKED N#C[C@@H](NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccc(Cl)cc1 505828327 USKYBLPCIVQKNA-GOSISDBHSA-N 431.801 5.541 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(c2ccnn2CC)CC1 508460847 FZCVCOHHZRCYAU-UHFFFAOYSA-N 431.371 5.038 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[C@@H](CC(F)(F)F)C1 508745657 HXBAGTVEWBLSOF-SJORKVTESA-N 430.474 5.536 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cn2)cc1 509562058 UTOSWCHSIBQYCR-UHFFFAOYSA-N 428.492 5.129 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 509674469 YQPVGCCKTPDLII-AREMUKBSSA-N 447.494 5.460 30 20 IKED Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c(C)c1 510667560 PVMBBQYTACYERJ-UHFFFAOYSA-N 442.519 5.378 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cc(F)c(Br)c(Cl)c2)cc1 510840031 BBYGLFUVTITMHK-UHFFFAOYSA-N 425.685 5.201 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1 511511567 IDNWUGSHTYUIOH-UHFFFAOYSA-N 427.291 5.132 30 20 IKED N#Cc1c(NC(=O)CN[C@@H](c2c[nH]c3ccccc23)C(F)(F)F)sc2c1CCCCC2 513173182 JDHSYBMTZRXMND-FQEVSTJZSA-N 446.498 5.202 30 20 IKED N#C[C@@H](C(=O)c1ccc(C2CCCCC2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 513667675 VMRQUPYWOYUDPH-IBGZPJMESA-N 431.561 5.813 30 20 IKED C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccccc1 514878074 NXEZFWIPUDMGJK-SFHVURJKSA-N 435.959 5.250 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 517520640 PZTVQODGAAAFHY-GOSISDBHSA-N 429.545 5.610 30 20 IKED C[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1nc(-c2ccccc2)cs1 518288378 JEWDGVUFRDPVHI-IBGZPJMESA-N 425.557 6.112 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C4CC4)nn3-c3ccccc3)n2)cc1 518516417 BAWUEFJFTZMOGT-HXUWFJFHSA-N 440.528 5.372 30 20 IKED CCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1OC 518516618 OWDGKNQBUPHETJ-INIZCTEOSA-N 437.908 5.233 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3SC[C@H](C)C#N)s2)cc1 518660881 FQRTZRXAUFOYOF-OAHLLOKOSA-N 437.590 6.021 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 518739016 JZYVYJNJXHGHEC-SFHVURJKSA-N 439.544 5.581 30 20 IKED CCN(CC)C(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1Cl 519909410 WJKISQWXMABRQC-UHFFFAOYSA-N 440.975 5.384 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)NC3CC3)c2)cc1Cl 520514733 XIQGYMYZBJTZCC-QFIPXVFZSA-N 444.922 5.532 30 20 IKED COc1cc(CSc2nnc(-c3ccccc3C)o2)ccc1OCc1cccc(C#N)c1 522578142 WAVUVIWYBGZFGH-UHFFFAOYSA-N 443.528 5.797 30 20 IKED COc1ccc(-c2nc3c(s2)[C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CCC3)cc1 524634077 APRRQYNCXOLIBZ-OAQYLSRUSA-N 446.576 5.819 30 20 IKED CC[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1cc(F)ccc1F 524923939 ZISCNJAWORJTBE-XMMPIXPASA-N 437.465 5.839 30 20 IKED CC(C)(C)CC(=O)Nc1ccc(CC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1 525062643 DFMHVMXIXBVIRK-UHFFFAOYSA-N 447.457 5.055 30 20 IKED COc1ccc([C@@H](NCc2cc(C#N)ccc2F)c2ccccc2)cc1Br 531389807 FGDCCHMOVSKSEF-QFIPXVFZSA-N 425.301 5.348 30 20 IKED CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C1 532126032 UNJLSIJTHJCHRA-GOSISDBHSA-N 436.577 5.293 30 20 IKED N#C[C@H](C(=O)c1cnc([C@@H]2CCCO2)s1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 534105939 PQNLSBQGKJXTHP-ZNNCUSSCSA-N 439.606 5.409 30 20 IKED C=C[C@H](CC(=O)Nc1cc2c(cc1NC(=O)c1cccs1)OCCO2)c1ccccc1 534657807 LXZWAOPUFVVUFW-MRXNPFEDSA-N 434.517 5.070 30 20 IKED CC(C)Cn1ncc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1C(F)F 534660636 AZBXONWVAANGLR-LLVKDONJSA-N 436.434 5.368 30 20 IKED CC[C@H](C)n1ncc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1C1CC1 536347663 FKAUVSNEBIDLEO-GXTWGEPZSA-N 426.492 5.623 30 20 IKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1ccc(C2(C#N)CC2)cc1 538492605 ZCSHMFLFCKAFMG-UHFFFAOYSA-N 446.572 5.553 30 20 IKED Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 539303504 CKXJJWWCKCGPKU-UNMCSNQZSA-N 433.943 5.704 30 20 IKED CC(=O)Nc1cc(C(=O)N(C)[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)ccc1F 542178682 IKMXYIPMARYWOC-MRXNPFEDSA-N 436.327 5.179 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1cccc(F)c1F)C(F)(F)F 543189224 NYHXGYDEAILYPB-BUXKBTBVSA-N 443.441 5.048 30 20 IKED CC[C@H](N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccccc1OCC(=O)N(C)C 543963196 UHHLTFHWTJJXDH-FNZWTVRRSA-N 441.575 5.494 30 20 IKED COc1cc(C#N)ccc1NC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 545296812 XSUZMBODINGRPM-UHFFFAOYSA-N 440.425 5.215 30 20 IKED O=C([C@@H]1CC[C@@H](C(F)(F)F)C1)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 552533664 WRKMBSATNJDANY-CHWSQXEVSA-N 427.360 5.351 30 20 IKED Cc1c(COc2ccccc2)cccc1NC(=O)C(=O)N[C@H](CCCC#N)c1ccccc1 556625080 SKCQUVODVCHSRX-RUZDIDTESA-N 441.531 5.064 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1 557565923 WXZQYLPXHGGHOV-GIFXNVAJSA-N 442.490 5.134 30 20 IKED C=CCN(CC(F)(F)F)C(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 557566071 ZXNFVPWBUOWNGG-UHFFFAOYSA-N 427.879 5.298 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1c(-n2cccc2)sc2c1CCSC2 557609979 VAFXGSDHTSSAGV-UHFFFAOYSA-N 440.638 5.324 30 20 IKED COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1ccccc1SCc1ccc(C#N)cc1 558740385 HSVRTFWSIPIWIT-QFIPXVFZSA-N 432.520 5.416 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCCn3c(cc4ccccc43)C2)cc1C 570198440 FEJQOXUFZHCTPV-UHFFFAOYSA-N 437.547 5.081 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3cc(N4CCCC4=O)ccc3Cl)c2)c1 572393940 GGPQCBTWOUIAED-UHFFFAOYSA-N 445.906 5.170 30 20 IKED C[C@@H](NCc1cn2ccc(Br)cc2n1)c1ccc(-c2cccc(C#N)c2)cc1 574847464 QSRCJFQTJTUUKE-MRXNPFEDSA-N 431.337 5.486 30 20 IKED C[C@H](NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1nc(C(C)(C)C)cs1 581841368 GNVQCSIYJYPNQR-HNNXBMFYSA-N 445.032 5.450 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(-c2ccc(Cl)s2)on1 603739091 PNBDXIVEHSMQLZ-UHFFFAOYSA-N 436.880 5.676 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)o1 603832875 GDXFRAJRFWQBTJ-UHFFFAOYSA-N 434.455 5.297 30 20 IKED N#C[C@H](C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc(-c2ccc(Cl)cc2)cs1 603836579 JBHYECNZTSSHPN-OAHLLOKOSA-N 439.905 6.076 30 20 IKED C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(OCCCC#N)c3)cc2[N+](=O)[O-])C1 603971069 GVUFYSVMQRDMKJ-HDICACEKSA-N 436.512 5.012 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@H]3Cc3ccc(F)cc3)c2)c1 604086070 XVEXFSVQNVIHPA-DEOSSOPVSA-N 442.494 5.189 30 20 IKED O=C(Nc1ccccc1Oc1cccc(F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 605031172 XFEMNOBWQOTISB-UHFFFAOYSA-N 436.327 5.967 30 20 IKED N#C[C@H](C(=O)c1csc(Nc2ccccn2)n1)c1nc2cc(C(F)(F)F)ccc2s1 606146306 MREPBMXVAZQCHK-LLVKDONJSA-N 445.451 5.400 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(CSC)cc2)nnc1-c1ccc(Cl)cc1 608953303 HTGKOUHHEGIFAQ-UHFFFAOYSA-N 445.013 5.378 30 20 IKED N#C[C@H](NC(=O)c1ccc(N2CCCCCC2)nc1)c1ccc(OCc2ccccc2)cc1 609173838 YHPDPRWRSQMCDY-VWLOTQADSA-N 440.547 5.036 30 20 IKED CCCN(CCc1ccccn1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609207499 AAWHPROADDKLLU-UHFFFAOYSA-N 428.536 5.327 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1 609370949 LUCPLZRQBYDBSD-MRXNPFEDSA-N 449.605 5.270 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl 609377996 SVCKZDACNJVDHI-ZDUSSCGKSA-N 425.406 6.117 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H](c2cc3ccccc3[nH]2)C1 609385137 SVBKFBAJVHBTHG-AZUAARDMSA-N 432.593 5.380 30 20 IKED C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 609387129 ONNIPKSBMBGVQR-OLZOCXBDSA-N 441.906 6.050 30 20 IKED N#Cc1ccc(CSCc2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)cc1 609475505 ABNWVYITNLXZLL-UHFFFAOYSA-N 437.528 5.440 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccccc3Oc3cccc(F)c3)cc2)nc1 609502204 QYPCHLLRAXBHGI-UHFFFAOYSA-N 425.419 5.929 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 609682114 ASJLHMAPGDBYGA-RDJZCZTQSA-N 448.514 5.358 30 20 IKED Cc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1C(=O)NC(C)C 609723777 AZPIGZSEYGHYMD-UHFFFAOYSA-N 447.922 5.703 30 20 IKED CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 609724527 XNRGJGFJXBYMGF-UHFFFAOYSA-N 440.286 5.868 30 20 IKED N#Cc1ccc(N2CCC(NC(=O)Nc3cccc(CSC4CCCCC4)c3)CC2)nc1 609751067 VPIGJUHKMRFDKG-UHFFFAOYSA-N 449.624 5.310 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCCCC[C@@H]1c1ccco1 609929149 ZAUOFALFEFIVFZ-XMMPIXPASA-N 429.520 6.188 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1csc(-c2ccc(Br)s2)n1 609969193 XCCQNJSGFJKHLP-UHFFFAOYSA-N 434.340 5.157 30 20 IKED Cc1noc(C)c1C[C@@H](C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 610018517 PGKAPAVRQSFOBT-CQSZACIVSA-N 438.915 5.148 30 20 IKED C[C@H]1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C[C@H](c2ccc(F)cc2)O1 610206190 YKSQCDKJWOTVHP-MHECFPHRSA-N 446.547 5.592 30 20 IKED CSc1cccc([C@H](NC(=O)N[C@H](C)c2cccc(C#N)c2)c2cc(F)ccc2F)c1 610357488 NTBUOJXHVUUNGA-CMJOXMDJSA-N 437.515 5.708 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCCc2cccc(Br)c2)c1C 610757588 CNPAEPAJLOLSGO-UHFFFAOYSA-N 437.341 5.085 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCC(=O)c1ccc2c(c1)CCCC2 615804623 LRNBEDHQULDPER-UHFFFAOYSA-N 439.515 5.534 30 20 IKED Cc1cccc(C(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1F 622518119 WQUBESYQZVTWDD-INIZCTEOSA-N 435.339 5.385 30 20 IKED CN(Cc1ccc(OC(F)F)cc1)C(=O)CNc1ccc(C(F)(F)C(F)(F)F)cc1 674063598 ATXVXIBEGQYVNJ-UHFFFAOYSA-N 438.343 5.013 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1ccc(COc2ccc(C#N)cc2)o1 728110889 XHAPPMKMUBKRSV-GOSISDBHSA-N 446.503 5.346 30 20 IKED COc1cccc(-c2n[nH]cc2/C=C/C(=O)c2ccc(OC(F)F)cc2OC(F)F)c1 728156327 GGIHLRCUIFWOIG-VMPITWQZSA-N 436.361 5.184 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)C[C@H](c2ccccc2)C(F)(F)F)c1 728652433 JMOCWNVFDSTQSN-WIYYLYMNSA-N 446.469 5.218 30 20 IKED Cc1ccsc1C(=O)Nc1ccc(OC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 729215245 AFLGIXZMFQCJQW-UHFFFAOYSA-N 431.473 5.092 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]1c1ccccc1C(F)(F)F 731029905 JODNURZVORZXNE-JXFKEZNVSA-N 447.526 5.733 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@H](C)Sc1ccccc1Cl 731074505 OGRASJQENAXHEE-LSDHHAIUSA-N 448.997 5.254 30 20 IKED CC(C)(C)OC(=O)NC1(c2noc(-c3cccc(OCc4ccccc4C#N)c3)n2)CCC1 731808673 HIFWVBBRXNGZPP-UHFFFAOYSA-N 446.507 5.091 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)cc1 733033003 BUUZBAHRWVRUOK-QFIPXVFZSA-N 449.457 6.006 30 20 IKED N#C[C@H](C(=O)CCCCCNC(=O)NC1CCCCC1)c1nc2cc(Cl)ccc2s1 734706450 IGTWKWQFHWMEMH-QGZVFWFLSA-N 447.004 5.318 30 20 IKED N#Cc1ccc(NC(=S)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)cc1Cl 734763735 VWMAXKCWVMAVEH-LJAQVGFWSA-N 439.993 5.469 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccccc1CN(CC)C(=O)OC(C)(C)C 737021022 UKVPQXHZJWSAPQ-UHFFFAOYSA-N 429.586 5.725 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](O)c2c(F)cccc2F)cc1Cl 741060892 MMYYZANHWPHUQH-LAUBAEHRSA-N 441.865 5.129 30 20 IKED CCN(CCC#N)Cn1nc(-c2ccc(Cl)cc2Cl)n(Cc2ccco2)c1=S 742539974 WBIMLIAYXMQOQR-UHFFFAOYSA-N 436.368 5.222 30 20 IKED N#C[C@@H](COC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)Cc1ccc(F)cc1 743469091 NZDCFXZUGZZLBI-ZDUSSCGKSA-N 435.307 5.795 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)n2)cc1 744061201 IPZMKYDTXHRXFQ-GUDVDZBRSA-N 438.339 5.969 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)Cc1nnc(-c2ccc(Br)s2)o1 746659335 NVERIDUCDFSZAW-UHFFFAOYSA-N 431.359 5.090 30 20 IKED CC(C)(C)OC(=O)NC1(CC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCC1 746833709 RLJFCJDMSGRIPQ-UHFFFAOYSA-N 449.551 5.108 30 20 IKED CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cc(C#N)cs2)NC(=O)N1Cc1cccs1 747961722 YVRQMDIEZXYPGW-NRFANRHFSA-N 448.573 5.169 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC1([C@@H](O)c2ccccc2)CC1 752224258 ITOCOONXSXRJHA-VWLOTQADSA-N 441.531 5.081 30 20 IKED C#CCCCC(=O)Nc1c(-c2ccc(Cl)cc2)ncn1Cc1ccc(OC)c(OC)c1 759214220 KTUZMKSRAAQBTH-UHFFFAOYSA-N 437.927 5.011 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H]2CCC(F)(F)C2)cc1 763211945 IXOFWJSHTZBEGP-RTBURBONSA-N 443.519 5.143 30 20 IKED COc1ccc(/C=C(\Cl)c2nc3cc(C(F)(F)F)ccc3o2)cc1OCCCC#N 764431876 HUKAITBTEQKKDS-GDNBJRDFSA-N 436.817 6.275 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)c(C)c2)cc1 772070717 MRXQZWAKSPROSP-UHFFFAOYSA-N 449.551 5.409 30 20 IKED C[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)C(=O)c1ccc(Cl)cc1 777311953 GNBGWVIVRUCPFB-SWLSCSKDSA-N 444.890 5.827 30 20 IKED Cc1cc(C(=O)O[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)nc(C(F)(F)F)n1 777715039 PURHBNFLFHPJLR-LLVKDONJSA-N 432.242 5.283 30 20 IKED C[C@@H](NC(=O)CC(C)(C)C)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 778607503 VWDAXULTAYNCQS-RISCZKNCSA-N 438.380 5.234 30 20 IKED N#C[C@@H](C(=O)NCc1ccccc1)C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 780305908 QZLJDSVJOBFNCM-OAQYLSRUSA-N 439.902 5.194 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)Nc1ccccc1O[C@H](C)C#N 780670855 RDRZINFZZFLOIO-UKRRQHHQSA-N 440.956 5.946 30 20 IKED N#CCCCOc1cccc(NC(=O)c2ccccc2NC(=O)OCc2ccccc2)c1 781952376 UKDNCCLKPSACFG-UHFFFAOYSA-N 429.476 5.370 30 20 IKED C#Cc1cccc(NC(=O)C(=O)Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)c1 783001438 UMYXOKSGHVTPDS-UHFFFAOYSA-N 447.903 5.301 30 20 IKED CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)OCCCC(C)(C)C#N)cc1 783945061 QTTDHPJICXXAOT-UHFFFAOYSA-N 431.579 5.118 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)c1cccc([C@@H]2CCCOC2)c1)c1ccc(Cl)cc1Cl 787048242 FQHWBQWVGWDYLQ-NQYLQCIDSA-N 445.346 5.087 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2cccc3cccnc23)cc1 796802172 ZBSBQPUWBNCJPP-QFIPXVFZSA-N 435.483 5.262 30 20 IKED COc1cc(/C=C\C(=O)c2cccc(NC(C)=O)c2)c([N+](=O)[O-])cc1OCc1ccccc1 796991757 OMQMCYHXBCPYRV-QXMHVHEDSA-N 446.459 5.037 30 20 IKED Cc1cc([C@H]2CCCN2C(=O)Nc2ccccc2O[C@H](C)C#N)ccc1Br 797643102 SQSYAADIBVJAPS-DNVCBOLYSA-N 428.330 5.417 30 20 IKED C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 798013983 SPLMQIUWHCSGJC-SUMWQHHRSA-N 443.466 5.155 30 20 IKED COc1cc2c(cc1F)C/C(=C/c1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)C2=O 798371158 IQKAARIHZJPRAQ-ZSOIEALJSA-N 442.899 5.451 30 20 IKED COc1cccc(NC(=O)/C(=C\c2ccc(-c3cnn(C)c3)s2)C(=O)c2ccccc2)c1 800792765 XIZLQBGFINZHSC-HMAPJEAMSA-N 443.528 5.062 30 20 IKED CCOc1ccc(-n2c(SCCO[C@@H](C)C#N)nnc2-c2cccc(Cl)c2)cc1 801654006 OZRWQKVKTHAXQT-HNNXBMFYSA-N 428.945 5.007 30 20 IKED Cc1ccc([C@@](O)(Cc2noc([C@@H](F)c3ccc(C(F)(F)F)cc3)n2)C(F)(F)F)o1 809452146 ZBJMFKBVBVUJEQ-HOCLYGCPSA-N 438.299 5.041 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@H]3C[C@H](O)c3ccc(F)cc3)cc2)ccn1 810281139 YCRVEVLPCUZZPU-URXFXBBRSA-N 446.482 5.005 30 20 IKED C[C@@H](Nc1ccc([C@@H](O)C(F)(F)F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 864021115 HGTPBWJTYOXTNX-RFAUZJTJSA-N 431.298 6.493 30 20 IKED CC(C)c1ccc2c(c1)CCCN2C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 915165628 KJANDQHTELUYIR-UHFFFAOYSA-N 444.535 5.125 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CSCc2coc(-c3ccccc3)n2)cc1 916051045 KBMHBWIFORBHRS-DEOSSOPVSA-N 439.540 5.869 30 20 IKED Cc1ccc(-c2cc(C(=O)Nc3cccc(OCC#N)c3)c3cnn(C(C)C)c3n2)cc1 916409810 OVYJTMHYMFHHPI-UHFFFAOYSA-N 425.492 5.142 30 20 IKED N#C[C@@H](C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1nc2ccccc2s1 916846022 DGSDITZDVDMDHU-INIZCTEOSA-N 439.949 5.404 30 20 IKED CC(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 918297025 GVXWUWXYXPPVMR-RUZDIDTESA-N 425.532 5.063 30 20 IKED Cc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(C)c1 918472302 WFOQPWFWOPBKSH-NLFFAJNJSA-N 425.532 5.117 30 20 IKED CNC(=O)C[C@H]1SC(=Nc2ccc3ccccc3c2)N([C@H](C)c2ccc(C)s2)C1=O 920168546 MJWVFAZZXSFJOF-FOIQADDNSA-N 437.590 5.039 30 20 IKED Cc1ccc([C@@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccccc2Cl)s1 920170712 NWPVMDSXEJGABJ-ACJLOTCBSA-N 448.013 5.071 30 20 IKED CC(C)c1csc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4)CCC3)cc2)n1 1787004271 PYCJKKGVOYYMCI-UHFFFAOYSA-N 444.560 5.200 30 20 IKED C/C(=C\c1ccc(C)o1)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3)CCC2)cc1 1789585896 ZBUQKOOMKSQRKN-FBMGVBCBSA-N 439.515 5.311 30 20 IKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3c4ccccc4n4ccsc34)CCC2)cc1 1791577669 RPDBELNCNAOGAK-HNNXBMFYSA-N 449.601 5.220 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cccc4c3oc3ccccc34)CCC2)cc1 1792267204 LIYNOLQRYWYGRO-UHFFFAOYSA-N 436.511 5.747 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)cnc2Cl)[nH]n1 1814442798 VHAUSAXGZOKLBE-SFHVURJKSA-N 443.979 5.065 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccccc2)C(C)C)n[nH]1 1814932888 HGSAEOQFCPENHI-CTNGQTDRSA-N 444.526 5.053 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(F)c2)[nH]n1 1819309049 KXDHEWNJRNSLLS-JXFKEZNVSA-N 444.938 5.277 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)[nH]n1 1821920739 KJHPZLDJIILOLC-ZOMYRSGASA-N 432.524 5.074 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc(C(F)F)c2)CC1 1823750190 AYAITLYZKWQKJX-OAQYLSRUSA-N 447.570 5.245 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc3ccccc23)CC1 1824141936 ARPJIFDVDJLYLE-AREMUKBSSA-N 445.607 5.237 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccccc3n2C)CC1 1828828218 FQHVMDACHDDJIA-NOZRDPDXSA-N 447.623 5.180 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)cc2F)CC1 1829071673 VSDXIQBILBKQKL-QHCPKHFHSA-N 446.582 5.119 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(OCC)c2)CC1 1830108671 JRQLFQMWVGZTEE-LOSJGSFVSA-N 438.612 5.087 30 20 IKED N#Cc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c1 8641590 BIAZIRBGAUXTAV-UHFFFAOYSA-N 445.935 5.190 30 20 IKED N#Cc1c(NC(=O)CCSc2nnc(-c3cccc(Cl)c3)o2)sc2c1CCCC2 10319255 YIOURTSPJWDGGA-UHFFFAOYSA-N 444.969 5.323 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cccc(Cl)c2C)c1 11258681 GNLOPIAWSHQUMS-UHFFFAOYSA-O 436.000 5.784 30 20 IKED CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1cccs1 21649083 IJDUXIRGELWSRQ-KRWDZBQOSA-N 439.610 5.071 30 20 IKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2cccc(C)c2)cc1 28793416 IOJKCQDZEAJIGW-UHFFFAOYSA-O 448.612 5.433 30 20 IKED N#Cc1cc(NC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)ccc1OCC(F)(F)F 58290834 KWOISJQCVKDALK-UHFFFAOYSA-N 428.197 5.540 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 58499420 JVEOJZAJVUSHLZ-UHFFFAOYSA-N 449.432 5.214 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nc(COc2ccc(Cl)cc2)n[nH]1 60979642 WGNHQNPXIIEMPW-UHFFFAOYSA-N 446.985 5.046 30 20 IKED O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc(N2CCOC2=O)c1 64331753 RPCZCLFRUNOYQQ-CCEZHUSRSA-N 435.483 5.392 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1-c1ccccc1F 64714861 UZQCFBMCUPJXCA-ZDUSSCGKSA-N 438.434 5.212 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(CC(=O)N(CC)c3ccccc3)cc2)cc1OC 64838911 WVHZOTLXQJFIQH-UHFFFAOYSA-N 444.531 5.108 30 20 IKED Cc1nc(CSc2ccccc2C(=O)Nc2cccc(C#Cc3ccccn3)c2)cs1 105723467 FTSBBQALQLDUSW-UHFFFAOYSA-N 441.581 5.791 30 20 IKED C[C@]1(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)Cc2ccccc2C(=O)O1 107877739 FRRVWBUEOVUUEO-PXDATVDWSA-N 430.891 5.106 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3cccs3)C[C@H]3CCCO3)cc2)cc1 303030481 NRFALPMBXBUYQA-JOCHJYFZSA-N 433.533 5.625 30 20 IKED CSc1ccc([C@@H](CNC(=O)C2(C#N)CCCCC2)N2CCc3sccc3C2)cc1 303056278 WGXYPDQGBCRAJC-OAQYLSRUSA-N 439.650 5.160 30 20 IKED CC(C)c1c(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cnn1-c1cccc(Cl)c1 303185538 DRTRAZUNIKBTBQ-UHFFFAOYSA-N 448.954 5.204 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(c4ncccc4Cl)CC3)c2)cc1 429751416 KQKZIZPMPRFHES-UHFFFAOYSA-N 432.911 5.810 30 20 IKED Cc1ccccc1[C@@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C(C)(C)C 430577041 BRPUVFYZHNENHV-JOCHJYFZSA-N 446.551 5.235 30 20 IKED CCN(CC)[C@H](CNC(=O)c1cccc(SCC#N)c1)c1ccc(C(F)(F)F)cc1 430763699 DVQKTBFHZHOSOP-HXUWFJFHSA-N 435.515 5.134 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1noc(Cc2ccccc2)n1 431393636 ULXNCRUUTMZWNS-QGZVFWFLSA-N 439.475 5.207 30 20 IKED CCOC(=O)c1ccc(C#N)c(SCCC(C#N)(c2ccccc2)c2ccccc2)n1 434642586 JPSBDCJXKXWZSH-UHFFFAOYSA-N 427.529 5.122 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC(N(CCC)C(=O)c2cccs2)CC1)c1ccccc1 435761575 QCISSYPORPCRLP-JOCHJYFZSA-N 439.625 5.482 30 20 IKED C=C(C)CN1CCC(NC(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)CC1 435966568 KRPLZKKDTPQYQY-KRWDZBQOSA-N 437.428 5.039 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NCc2nc3cc(C(F)(F)F)ccc3n2C)cc1 437257776 LSDLRMRTSLCRRD-UHFFFAOYSA-N 428.458 5.018 30 20 IKED Cc1nc(C2(NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CCCC2)no1 437726769 AXTGNEDXLRFTMK-LJQANCHMSA-N 435.915 5.278 30 20 IKED C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 439362870 WHHHRQZAJGYTQT-QPPBQGQZSA-N 439.559 6.132 30 20 IKED C=C(C)[C@H](NC(=O)NCc1nc(COC)sc1-c1ccccc1)c1ccc(F)c(F)c1 441042055 PIXPRTLCKOZVKS-NRFANRHFSA-N 443.519 5.351 30 20 IKED CC(C)(C)Cc1nc(-c2cccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c2)no1 442694974 UTFYVXFOSBVYLK-MRXNPFEDSA-N 449.461 5.560 30 20 IKED Cc1ccc(Br)cc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 442805717 APXUQXMDEHHQFL-ZDUSSCGKSA-N 433.277 5.649 30 20 IKED N#C[C@H](C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1nc2cc(Cl)ccc2s1 444454922 QCFUFMKWXQIBOP-MRXNPFEDSA-N 429.888 5.434 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N2CCC(c3nc4cccc(C)c4o3)CC2)c1C#N 444559085 ZQGZHGLMSCWEME-UHFFFAOYSA-N 432.549 5.022 30 20 IKED C=CC[C@@H]1N(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)CCCC1(C)C 444848664 LOLFPESRSBJVBB-IBGZPJMESA-N 425.495 5.141 30 20 IKED N#Cc1ccccc1Oc1ccc(-c2nc(-c3ccc(-c4nnco4)cc3)no2)cc1Cl 445400627 GCNFVYGMBVDORJ-UHFFFAOYSA-N 441.834 5.771 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@H](C)c2ccc(Br)s2)c1C#N 445566215 XJALKKFPAXKFAH-LLVKDONJSA-N 447.383 5.032 30 20 IKED Cc1sc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1-c1ccc(F)cc1 445769604 RQLRESWJJGYULH-UHFFFAOYSA-N 433.552 5.082 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1c(F)c(F)cc(F)c1F 446250110 UVOJCXHMYJUCCJ-NSHDSACASA-N 433.245 5.685 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3nc4ccc(OCC(F)(F)F)cc4s3)on2)c1 447462102 OXQWVLLRQDSOFI-UHFFFAOYSA-N 444.394 5.016 30 20 IKED CN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H]1CCCC[C@H]1C(F)(F)F 463513074 IAOKINMXKJCCGN-YADHBBJMSA-N 445.485 5.916 30 20 IKED N#Cc1ccc(SCC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1 463536539 HQIOECKHFOHFOX-UHFFFAOYSA-N 439.899 5.334 30 20 IKED Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1 465886618 FUYSMDHFXCAQNR-BVUDCHSKSA-N 447.579 5.024 30 20 IKED N#CCC[C@@H](NC(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1)c1ccccc1 467222323 JDFSPBVRJWXZIF-UXHICEINSA-N 430.321 5.480 30 20 IKED CC[C@@H]1Oc2cc([C@H](C)NC(=O)Nc3ccccc3S[C@H](C)CC#N)ccc2NC1=O 467704455 FMULTKIYLQCMJR-VCBZYWHSSA-N 438.553 5.073 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 468651774 MMJRMEOWPNVJKB-SFHVURJKSA-N 431.565 5.575 30 20 IKED N#CCCCN1C(=O)CCc2cc(NCc3ccc(Br)cc3Cl)ccc21 468992982 PSNHOGISSGHABE-UHFFFAOYSA-N 432.749 5.298 30 20 IKED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1OCc1ccccc1 469199421 ZJTFDNHNPSSCLX-OAQYLSRUSA-N 439.559 6.022 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccccc2O[C@H]2CCOC2)c1 470787662 BEOSZIGKBPWSRG-SFHVURJKSA-N 434.879 5.424 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(Br)cc2-c2nc(C3CC3)no2)cc1 471473183 ZNQVQCNUKADJQU-UHFFFAOYSA-N 440.297 5.194 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 477584094 ARVREJUNVHIETH-GJZGRUSLSA-N 432.952 5.131 30 20 IKED Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 481713947 SCOUDKNXKTWOCE-DEOSSOPVSA-N 429.495 5.954 30 20 IKED C=CCSc1ccccc1C(=O)NCc1nc2cc(Br)ccc2n1CC 483065436 DCCFCZAHABGEMG-UHFFFAOYSA-N 430.371 5.027 30 20 IKED N#C[C@@H](C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1nccc2ccccc12 483229345 KOAPWJRLGZGFGR-HSZRJFAPSA-N 434.524 5.665 30 20 IKED N#Cc1c(NC(=O)c2ccc(-c3cncnc3)cc2F)sc2c1-c1ccccc1CC2 484085111 WFHBMLXEWRWJBS-UHFFFAOYSA-N 426.476 5.234 30 20 IKED Cc1nc(NC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)sc1SCC#N 486037449 HOPIRJIZHIWVBU-UHFFFAOYSA-N 431.892 5.410 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(C(C)C)c1-c1ccccc1 489291308 LLLCXNVYXWTZCN-UHFFFAOYSA-N 437.503 5.751 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCc1nn(-c2ccccc2)c2c1CCC2 489693499 YHQGXDBXRLCUNM-UHFFFAOYSA-N 443.576 5.010 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)N(Cc3ccco3)c3ccccc3)o2)cc1 489791682 MKZKUCTWLUIZBX-UHFFFAOYSA-N 447.516 5.220 30 20 IKED C[C@@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@@H](c2cccc(C(F)(F)F)c2)O1 493985786 OXMPDTIYSDRBDQ-KDOFPFPSSA-N 434.462 5.127 30 20 IKED CCCCCC(=O)NC1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 498817101 JEDAJWJBRTXNRZ-UHFFFAOYSA-N 434.540 5.043 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(C2CC2)nc2onc(C)c12 500114256 QJBNGGZJWJYHBW-UHFFFAOYSA-N 444.304 5.139 30 20 IKED CCN(C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1)[C@H](C)c1ccc(C#N)cc1 500134221 DTOHIIYMEKPBSU-HYBUGGRVSA-N 439.559 5.173 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 501024187 VRSKRRRTMAAYDU-UHFFFAOYSA-N 431.879 5.626 30 20 IKED C=CCn1c(SCCO[C@H]2CCCCO2)nc2scc(-c3cccs3)c2c1=O 502712478 RDGCQPLELTWWRU-INIZCTEOSA-N 434.608 5.008 30 20 IKED COc1c(Cl)cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1Cl 506331434 YFBCHFWPDGZMQY-UHFFFAOYSA-N 443.355 6.418 30 20 IKED N#CC1(c2ccccc2)CCC(NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 507652598 JFLFAEHAXKOHER-UHFFFAOYSA-N 428.502 5.063 30 20 IKED Cc1ccc(Sc2c(Cl)cccc2NC(=O)C(=O)NCC(C)(C)CCC#N)cc1 510940328 XHGBOMIBXZOMJT-UHFFFAOYSA-N 429.973 5.184 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 517472727 AMYQCUUBJYDIHA-INIZCTEOSA-N 441.984 5.719 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)c1 517684070 YABOXYBHOUDSLS-UHFFFAOYSA-N 446.576 5.032 30 20 IKED C=CCOc1cccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccc3ccccc3c2)c1 520278324 SRCLYSFLUNTPIR-AREMUKBSSA-N 436.511 5.249 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(COc2ccccc2)cc1 520858203 SFTCUPWKZVFHLM-LJQANCHMSA-N 431.561 5.839 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCCOc1ccc2ccccc2c1 521731456 XVTZTYYPJLFOGE-SFHVURJKSA-N 436.602 5.985 30 20 IKED Cc1cccn2cc(-c3ccc(NC(=O)c4occc4COc4cccc(C#N)c4)cc3)nc12 522587721 ULEVHHLYCKEXOU-UHFFFAOYSA-N 448.482 5.606 30 20 IKED CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)n1 524316652 RKLNIBDWZKDPRB-UHFFFAOYSA-N 429.505 5.282 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)cc1C 525393802 XMOHBLRNNSLYJD-UWJYYQICSA-N 436.918 5.159 30 20 IKED C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 532872063 YQVYXFLVISGXDC-LBPRGKRZSA-N 431.348 5.052 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc2c1CN(c1ccccn1)C2 535286808 BNDINXUIHMMRJV-UHFFFAOYSA-N 448.551 5.877 30 20 IKED CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 542029064 YXFQMKSWPBYNMD-UHFFFAOYSA-N 433.821 5.080 30 20 IKED C[C@@H](C#N)CN(C)c1nnc(COc2ccccc2-c2ccccc2)n1Cc1ccccc1 549129494 TUBDARZCSLVEHV-NRFANRHFSA-N 437.547 5.168 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 557581231 DWBNBTPVWMGRLR-VFNWGFHPSA-N 425.554 6.050 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N(C)Cc1csc([C@@H](C)OCC)n1 558983635 ZRMMTEBWLACZGV-QGZVFWFLSA-N 448.596 5.260 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)C1CC1 559158240 OYSVBQOCERRUKX-LLVKDONJSA-N 427.348 5.357 30 20 IKED N#Cc1ccc(N2CC[C@@H](C(=O)Nc3cccc(Cl)c3Oc3cccnc3)C2)c(F)c1 561088124 OURHFPXTLXRPIQ-MRXNPFEDSA-N 436.874 5.003 30 20 IKED C[C@@H](Cc1ccccc1C(F)(F)F)N(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N 561897906 HPFJFOYODGNHRL-DLBZAZTESA-N 449.542 5.601 30 20 IKED CCO[C@H](c1ccccc1)c1noc(C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)n1 562899411 SRYLFPIDTLUXBY-OAQYLSRUSA-N 436.943 5.279 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1)[C@@H]1C[C@@H]1C 566379955 XGWAAUYXJSXDJI-AVRWGWEMSA-N 439.515 5.151 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC(OCCc4ccccc4)CC3)cc2)ccn1 581161798 OZHNZNGWZKOXGR-UHFFFAOYSA-N 442.519 5.001 30 20 IKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)cc(-c3ccco3)nc21 592973493 FYEVDPDMJKUKGY-HNNXBMFYSA-N 445.479 5.511 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)s2)cc1 603623958 QIQZOEHSUGKNBD-UHFFFAOYSA-N 442.500 5.438 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N[C@H](c3ccc(F)cc3)c3cccs3)s2)cc1 603648404 HXFHOPXBZDTRQI-OAQYLSRUSA-N 448.548 5.717 30 20 IKED COc1ccccc1OCc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)o1 603764237 JHEIWKJGXOKEGI-UHFFFAOYSA-N 441.443 5.178 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)cc2Cl)c1 609072933 NRSWHJVULGTCHW-UHFFFAOYSA-N 446.850 5.432 30 20 IKED CN(CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(Cl)cn1 609164153 HVVFRFWZKQLRBT-IBGZPJMESA-N 425.319 5.119 30 20 IKED COc1ccc2c(CC(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)coc2c1 609378594 XSIWBSDUXASZKE-UHFFFAOYSA-N 434.439 5.647 30 20 IKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccc(F)c(F)c1 609387314 WUBUJQRQRRUJEI-LLVKDONJSA-N 429.414 5.428 30 20 IKED C=CCN(C(=O)[C@@H](C)CSc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 609496507 FKMLAITXGBFJBL-INIZCTEOSA-N 439.562 5.666 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccccc3NC(=O)N3CCCC3)cc2)cc1 609515734 AOAPXDSLVHPONT-UHFFFAOYSA-N 440.503 5.425 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3CCc4c(O)cccc43)cc2Cl)c1 609844810 LWOQXUWLEDKPGO-NRFANRHFSA-N 433.895 5.305 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)cc1 610093330 CGHLLNZXLDVPMK-XMMPIXPASA-N 443.503 5.143 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H](Cn2cccn2)c2ccccc2)c1 610154968 QHRQGJZVVXAUMU-QHCPKHFHSA-N 442.906 5.372 30 20 IKED COc1ccc(Nc2nc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cs2)cc1 610338016 PESABIQZQCOVCB-UHFFFAOYSA-N 443.488 5.207 30 20 IKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)N[C@H](C)c1cccc(C#N)c1 610357464 NFOUPKVQOQZQMN-GOSISDBHSA-N 449.576 5.500 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)c(Cl)c1 611092847 JQJGTJNJEYOPDJ-UHFFFAOYSA-N 438.339 6.318 30 20 IKED CCc1c(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cnn1-c1ccc(Br)cc1 613292801 XGSRNCSSSYBMNY-SFHVURJKSA-N 445.320 5.235 30 20 IKED N#Cc1ccc(N2CCC[C@H]2c2nc(Cc3c[nH]c4cc(Br)ccc34)no2)cc1 615133041 IGHWZPLQQHSSQZ-FQEVSTJZSA-N 448.324 5.117 30 20 IKED N#Cc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1Cl 619748355 BJAAIIZLRNQNAY-UHFFFAOYSA-N 443.894 5.262 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ccc(Cl)cc2)n1)c1nc2ccccc2n1C(F)F 642282419 PVAWQPACOSTRGM-ZDUSSCGKSA-N 428.851 5.698 30 20 IKED O=C(N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 672816288 DGJPQAZOQFZDBO-TXEJJXNPSA-N 437.277 5.075 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)c(F)c1 682192866 OSVMHNNTUFFBMC-MYJAWHEDSA-N 425.266 5.484 30 20 IKED CN(Cc1ccc(F)c(Cl)c1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 683374344 HENVQVYHNGRJEH-QWRGUYRKSA-N 434.783 5.530 30 20 IKED C[C@]1(c2ccc(F)cc2)CCN(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C1 684655856 VDJZODWQRRTXQH-MMNPAVHPSA-N 440.403 5.408 30 20 IKED CCOc1ccc(-c2nnc(S)n2N=Cc2ccc(Cl)c(C(F)(F)F)c2)cc1 727254499 VYABFXWNLIHJBY-UHFFFAOYSA-N 426.851 5.187 30 20 IKED C[C@H](OC(=O)c1cc2ccccc2n1CC#N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 729768837 OMEOBNURXIWCCB-LBPRGKRZSA-N 449.816 5.021 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(C2CCC2)C1=O)Nc1ccc(F)cc1F 730460865 HOYBLNBAPVZNMK-SFHVURJKSA-N 449.910 5.131 30 20 IKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)COc2ccc(C3SCCCS3)cc2)cc1 731197978 BOTGNFUUUIFPTP-NRFANRHFSA-N 440.634 5.613 30 20 IKED Cc1cc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc(C)c1OCc1cccnc1 731645761 RZLRVTQUUCOYRG-OAQYLSRUSA-N 439.437 5.291 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)CCCc2ccc(Cl)c(Cl)c2)ccc1OC 733231956 LMHYFPHFQAHATK-KRWDZBQOSA-N 435.351 5.322 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)C(c2ccccc2)c2ccccc2)c1 733845552 DOGACCBSTLQPLD-GBXCKJPGSA-N 427.548 5.387 30 20 IKED Cc1ccc(OCc2nc(CSCc3cc(Cl)ccc3OCC#N)cs2)cc1 735318277 JGTVBTNISYKHBX-UHFFFAOYSA-N 430.982 6.020 30 20 IKED C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 739155447 QOAKSCQPWRHNTF-ABAIWWIYSA-N 426.797 5.024 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@@H](C)c3cccc(C(F)(F)F)c3)n2)cc1 739159237 JHYQDRWWXSOIDU-AUUYWEPGSA-N 444.478 6.208 30 20 IKED COCCOc1cccc(F)c1C(=O)/C=C/c1cccc(OCc2ccccc2C#N)c1 741841015 ISPFDWQNWRQUJV-OUKQBFOZSA-N 431.463 5.198 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)s1 742694154 IVWOXPSTXJGXRD-UHFFFAOYSA-N 431.395 5.144 30 20 IKED C=CCn1c(-c2cccc(C)c2)nn(CN(C)Cc2ccc(Br)o2)c1=S 746705332 BONGCABIOICLCJ-UHFFFAOYSA-N 433.375 5.021 30 20 IKED COc1ccc(CCCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 747111542 BKNMVCRMUGUNFR-QFIPXVFZSA-N 428.488 5.158 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CSCc1cc(-c2cccs2)on1 747112175 WIUGYOMGSMCIKT-MRXNPFEDSA-N 435.530 5.018 30 20 IKED CC(C)N1CCN(c2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2)CC1 747124640 ZTBXYXFSYCXTAM-MHZLTWQESA-N 438.575 5.125 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2ccc(-c3ccc(Br)cc3)n2C)n1 747197578 IIGDPCJKZPAHHX-OAHLLOKOSA-N 428.355 5.525 30 20 IKED Cc1nc(NCC(=O)N[C@H](CCC#N)c2ccccc2)c2cc(-c3ccccc3)sc2n1 749034642 LHXNDIRBXYIFCZ-OAQYLSRUSA-N 441.560 5.240 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 752225122 UJCAJBOUBGAHBH-XMMPIXPASA-N 431.923 6.078 30 20 IKED N#Cc1ccccc1/C=C1/CC(C#N)(c2ccccc2)C/C(=C/c2ccccc2C#N)C1=O 755580260 ZGSRKZDXLFBAAG-CPZPTNFUSA-N 425.491 5.721 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cc(F)cc3cccnc23)c1 760238647 CLJWXZLDGXZDHZ-UHFFFAOYSA-N 435.528 5.147 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2cccc(N3CCOC3=O)c2)cc1Cl 761290585 PPVJTUQXZHHBMA-UHFFFAOYSA-N 433.851 5.213 30 20 IKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@@H]3CCC(F)(F)C3)C2=O)cc1 763209330 CPKSQHBFFGJXLH-RTBURBONSA-N 443.519 5.143 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1Cc2ccc(Br)cc2C1 765160425 OTRVRKGJEAQJDV-UHFFFAOYSA-N 448.320 5.969 30 20 IKED C[C@H](OC(=O)CC(c1ccccc1)c1ccccc1)C(=O)N(CCC#N)c1ccccc1 765949163 PGZNIEFSJLYZTN-NRFANRHFSA-N 426.516 5.087 30 20 IKED Cn1ccnc1C(=O)[C@@H](C#N)C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1 770869531 YYSRAEZVWRFDOR-INIZCTEOSA-N 444.343 5.225 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(N2C(=O)CN(Cc3ccc(F)cc3)C2=O)cc1Cl 771818722 OCEWKJCTTXUGEA-NRFANRHFSA-N 433.870 5.103 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N2C(=O)N[C@H](c3cccc4ccccc34)C2=O)cc1 771974746 JGLKDQJMZYHGPS-RUZDIDTESA-N 449.466 5.310 30 20 IKED CN(C(=O)NCc1ccc(OCC#N)cc1)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 776619822 XUZDMNFKTMKAGA-LEWJYISDSA-N 431.458 5.085 30 20 IKED COc1ccc(/C=C/C(=O)c2cc3c(s2)SCC(=O)N3)cc1OCc1ccccc1 779463218 ZFJPHOWPBZMTQE-VQHVLOKHSA-N 437.542 5.276 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2 780161060 TZGWXNCIKPPYFS-LXMVLSBBSA-N 435.483 5.858 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 780681238 OLKBMTIVSNMFTO-GMAHTHKFSA-N 448.567 5.253 30 20 IKED Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 782276609 MANRKYNSEAJHSJ-LBPRGKRZSA-N 432.571 5.303 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 788353864 NOSNLHZAPWXMLW-IMJJTQAJSA-N 440.471 5.085 30 20 IKED N#Cc1ccc(C[C@H](C#N)C(=O)OCc2cc(Cl)c(C(F)(F)F)c(Cl)c2)cc1 791748440 PAMKDKOAFKCOKD-CQSZACIVSA-N 427.209 5.310 30 20 IKED COc1ccc(NC(=O)[C@H](OC(=O)c2ccc(C(C)(C)C#N)cc2)c2ccccc2)cc1 796040154 MPQUZRZGPIESJH-HSZRJFAPSA-N 428.488 5.033 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccn(C2CCCCC2)n1 796635180 XUEHGKYCFVGYEW-FQEVSTJZSA-N 428.492 5.142 30 20 IKED O=C(C[C@H]1SC(=Nc2ccsc2)N(C[C@@H]2CCC(F)(F)C2)C1=O)Nc1ccccc1 797427230 FLKULZKSNMIIEO-RHSMWYFYSA-N 449.548 5.144 30 20 IKED C=CC[C@@H](NC(=O)N[C@H]1CCCc2c1[nH]c1ccc(Br)cc21)c1ccncc1 812047484 HKSZWJFSJKFJPC-QUCCMNQESA-N 439.357 5.319 30 20 IKED C=CCOc1cc(OC)ccc1-c1nc(-c2ccc(Cn3cnc4ccccc43)cc2)no1 904479477 LOUZSTCEGDQFSL-UHFFFAOYSA-N 438.487 5.375 30 20 IKED CC1(c2nc(-c3nccc4ccccc34)no2)CCN(c2ccc(Cl)cc2C#N)CC1 904592279 BHLSWTMCCWNDJV-UHFFFAOYSA-N 429.911 5.368 30 20 IKED C=CCOc1cccc(/C=C(/Cl)c2nnc(C(=O)NCc3ccc(C)cc3)s2)c1 912963426 MILUVJKQBYUMGW-CPNJWEJPSA-N 425.941 5.078 30 20 IKED CCCOc1ccc(C(=O)CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915088603 SSVQECBDADHCHJ-VWLOTQADSA-N 426.516 5.732 30 20 IKED N#C[C@H](C(=O)C1CCN(c2nc3ccccc3o2)CC1)c1nc(-c2ccccc2)cs1 915102546 WTHAOYIYYUQBMH-GOSISDBHSA-N 428.517 5.044 30 20 IKED COc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 915103277 RXIBYMZOAHCLJG-MRXNPFEDSA-N 433.316 5.381 30 20 IKED CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(OCc2ccccc2C#N)cc1 915513577 CAWDZEQOTCHNKD-KRWDZBQOSA-N 446.528 5.043 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1CNc1cccc(OCCCC#N)c1 916843446 IARTXANIIJZUSU-UHFFFAOYSA-N 429.351 5.841 30 20 IKED Cc1ccc(C(C)C)c(O[C@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1 916886656 IKPSBVKBYUKMLY-BEFAXECRSA-N 446.519 5.548 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)c(C)n1[C@@H](C)c1ccccc1 916937703 GMYACIAEFLABMW-MGPUTAFESA-N 437.902 5.468 30 20 IKED CC(C)(C)C(=O)NCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997302 VDVGKWXABIRWNL-CQSZACIVSA-N 438.380 5.236 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)n1 920328485 SFTUQOHFHLYHRG-SOIVGHGOSA-N 442.949 5.591 30 20 IKED Cc1nc(O)c(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)cc1-c1ccccc1 1142766947 PBVXOYQPPDKKBM-HNNXBMFYSA-N 439.437 5.336 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)C3CCC(F)(F)CC3)cc2)CCC1 1786246038 MEMWWZMZACOJMR-UHFFFAOYSA-N 426.454 5.157 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4nc(C)sc34)cc2)CCC1 1788944282 AVUTUKDSSFRJHU-MRXNPFEDSA-N 433.577 5.565 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cccc4ncsc34)cc2)CCC1 1789345872 JYZYJJWYEKZIDS-UHFFFAOYSA-N 431.561 5.238 30 20 IKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3ccncc3)CCC2)cc1)c1ccccc1 1789602563 VCALUHCPDPDNHW-RUZDIDTESA-N 437.543 5.027 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cncc(C(F)(F)F)c3)CCC2)cc1 1791248897 GTQGIJOOJKJDNK-OAHLLOKOSA-N 431.458 5.060 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)CCc3ccccc3F)cc2)CCC1)C(F)(F)F 1791983150 XJUITZTYAASHDP-UHFFFAOYSA-N 434.433 5.011 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OC(C)C)c(Cl)c1)C2 1798339750 CAEQIQOVLXFOME-PLACYPQZSA-N 445.003 5.147 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H](CC)c2ccccc2)[C@H]1c1cccnc1 1806273094 ZNTVQWMQCQTQEI-VEYUFSJPSA-N 445.607 5.050 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3ccoc3c2)[C@H]1c1cccnc1 1810503609 RWESAPJBDIIAHR-VWNXMTODSA-N 445.563 5.140 30 20 IKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)c(C)c3Cl)[nH]n2)C1 1814398645 OKZPDRTXNGFSDC-GOSISDBHSA-N 447.366 5.297 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ccncc23)[nH]n1 1819309232 PFUNVKRBLZLCPM-XXBNENTESA-N 443.551 5.032 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)cc(F)c2F)[nH]n1 1819556626 IOYXCXJCAALHIZ-SFHVURJKSA-N 448.489 5.125 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@]3(C)CC=CCC3)[nH]n2)c1 1823216072 OCIZGQYAILHBQV-WTSFKKHRSA-N 445.567 5.089 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1823678167 JELMWWUJPOYMQF-SBUREZEXSA-N 442.003 5.267 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 1823753908 OMAHOSOXRNMKJL-VWLOTQADSA-N 449.639 5.323 30 20 IKED N#Cc1ccsc1NC(=O)COC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12 10636334 HMTHEUGXAMAYKT-UHFFFAOYSA-N 447.491 5.022 30 20 IKED C[C@@H](OC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)Nc1ccc(F)cc1F 15806205 RVXVCMSUDMIIAJ-CQSZACIVSA-N 438.455 5.172 30 20 IKED N#Cc1ccc(C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CC3)cc1 18352896 UIVZDCNCDXSTTL-XMHGGMMESA-N 434.451 5.226 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)cc1 24437447 UFFGPGQWKWAKNH-UHFFFAOYSA-N 437.931 5.209 30 20 IKED COC(=O)c1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1Cl 63733639 QUNJIVZQOSJPQI-UHFFFAOYSA-N 436.920 5.543 30 20 IKED C=CCN(C(=O)c1cnc(-c2ccccc2Cl)s1)c1nc(-c2ccccc2)cs1 64869811 INKDYGUXBWWGCM-UHFFFAOYSA-N 437.977 6.420 30 20 IKED Cc1ccc(-c2csc3nc(/C(Cl)=C\c4ccc(O[C@@H](C)C#N)cc4)[nH]c(=O)c23)cc1 110965894 KLVWURIVXSQDED-BBJIBYMTSA-N 447.947 5.988 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)o1 195695652 QYACJQGLFPFDNL-UHFFFAOYSA-N 438.487 5.182 30 20 IKED COc1ccc2c(c1)CN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)c(Cl)c1)CC2 216759019 UYVWZSGAQXWASQ-UHFFFAOYSA-N 447.922 5.389 30 20 IKED CN(c1ccc(CNCc2cn(CCC#N)nc2-c2ccccc2)cc1)C1CCCCC1 237058330 FVJUXUKRJFEQAZ-UHFFFAOYSA-N 427.596 5.522 30 20 IKED CN(CCC#N)c1ccc(CN[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 237214146 GCWBSQFEMDCISQ-VWLOTQADSA-N 427.527 5.056 30 20 IKED Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C 301759008 GETOSZWIKCDVJY-OAQYLSRUSA-N 431.499 5.225 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Br)cc3)s2)cc1 303063032 YVPGHZNDNIPGNO-RTBURBONSA-N 438.350 5.110 30 20 IKED COc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc(Cl)c1OCC(C)C 303320969 HSIVQWDMEBZMEM-HNNXBMFYSA-N 432.973 6.030 30 20 IKED N#Cc1ccc(NC(=O)c2ccc(COc3cccc(Br)c3)o2)c(Cl)c1 430351896 JWSJDLUPKHFJKO-UHFFFAOYSA-N 431.673 5.398 30 20 IKED Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)Nc1ccc(C#N)cc1Cl 430360926 YFORSXDNZZKKJU-UHFFFAOYSA-N 443.732 5.088 30 20 IKED Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)n1 434017390 NEHAUOKDGJFSFN-UHFFFAOYSA-N 448.526 5.600 30 20 IKED C=CCC[C@H](NC(=O)N1CCC(N(CCC)C(=O)c2cccs2)CC1)c1ccccc1 435761578 QCISSYPORPCRLP-QFIPXVFZSA-N 439.625 5.482 30 20 IKED C=CCC[C@@H](NC(=O)N(CCC)Cc1nnc(-c2ccccc2Cl)o1)c1ccccc1 435763187 VIPRGGSSPMSJQL-OAQYLSRUSA-N 438.959 6.019 30 20 IKED N#CCCC[C@@H](NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O)c1ccccc1 436927105 ONMUEMRBHZLVHD-JOCHJYFZSA-N 449.457 5.088 30 20 IKED CCSc1ccc(Cl)cc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 437307255 NLSLJWSQLXILLK-UHFFFAOYSA-N 447.010 5.720 30 20 IKED Cc1ccc(C[C@H](NC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccccn2)cc1 438063130 GZNBBVGOBZNKQE-CVDCTZTESA-N 430.577 5.747 30 20 IKED N#CCC[C@H](NC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1ccccc1 439382057 FTLMNZSJCHXCLW-QXNWPYRLSA-N 431.561 5.302 30 20 IKED N#CCC[C@H](NC(=O)C(=O)Nc1ccccc1Oc1ccc(Cl)cc1)c1ccccc1 439461123 YZWXOMKGTQXRSN-FQEVSTJZSA-N 433.895 5.232 30 20 IKED C=CCC[C@H](NC(=O)CCc1nnc(-c2ccsc2)o1)c1ccc(C(F)(F)F)cc1 441558945 OMGUATGNCQTCLQ-KRWDZBQOSA-N 435.471 5.573 30 20 IKED C=CCC[C@@H](NC(=O)c1cc(CS(C)(=O)=O)c(C)s1)c1ccc(C(F)(F)F)cc1 441566749 NLONJPSJYUBUPX-QGZVFWFLSA-N 445.528 5.057 30 20 IKED CC1(C)CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC2(CCCC2)O1 443567980 FFQSCDJLBBBVGJ-UHFFFAOYSA-N 433.552 5.287 30 20 IKED COc1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)c(OCc2ccccc2)c1 444384651 SRXSJTSLYWBBMR-UHFFFAOYSA-N 439.515 5.785 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)n2)cc1 444458447 FQSFSVSQKMBYND-FQEVSTJZSA-N 446.491 5.167 30 20 IKED C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1CC(=O)Nc1ccccc1S[C@H](C)CC#N 444722009 GLQMMCMPFKQNLH-FVJLSDCUSA-N 444.000 5.135 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2coc(-c3ccccc3Cl)n2)c1C#N 445566477 YBOJJYUCZUAYGN-UHFFFAOYSA-N 435.896 5.027 30 20 IKED N#Cc1ccc(NC(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)cc1C#N 460117409 LODSIMGJCDNWBU-UHFFFAOYSA-N 425.835 5.053 30 20 IKED Cc1ccccc1[C@@H]1CN(C(=O)c2cccc(COc3ccccc3C#N)c2)[C@H](C)CO1 460389928 RJJMIHXFJWGPEN-IBVKSMDESA-N 426.516 5.048 30 20 IKED CC(C)c1ccc([C@@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC2)cc1 461594411 DMQCBDSAMQAGKB-OFVILXPXSA-N 441.579 5.318 30 20 IKED Cc1nc(NC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)sc1SCC#N 461906161 FLMCPDYSMRNUCY-SECBINFHSA-N 428.352 5.101 30 20 IKED CN(C)CCn1ccc2ccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)cc21 465142249 XMIAOASPYCNZBT-UHFFFAOYSA-N 438.531 5.314 30 20 IKED COC(=O)c1nc([C@H]2CCCN2C(=O)Nc2ccccc2C#Cc2ccccc2)sc1C 467962462 DZNFKRAHSOFKKS-OAQYLSRUSA-N 445.544 5.007 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCC1CCN(c2ccccc2)CC1 469177902 OCMQERPRWRJXDO-UHFFFAOYSA-N 427.573 5.356 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC(Cc4ccc(F)c(F)c4)CC3)cc2)nc1 469377788 WJVAKZVVSJKNEF-UHFFFAOYSA-N 433.458 5.119 30 20 IKED CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 469898000 CCXRKCHZVSNQAI-NRFANRHFSA-N 436.947 5.434 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Br)cc1 471349141 BMGMQTHAFBNYNH-UHFFFAOYSA-N 433.733 5.169 30 20 IKED Cc1cc(C(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)c(C(F)(F)F)o1 471809737 MMOANXZNWOWEMW-UHFFFAOYSA-N 435.242 5.819 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3ccc(-c4ccccc4C(F)(F)F)o3)CC2)cc1 473432111 JDNIHCBRKCFSGH-UHFFFAOYSA-N 440.421 5.521 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2csc(-c3ccc(Br)s3)n2)n1 474444606 IDIOVEHUIWYUAV-VIFPVBQESA-N 438.397 5.704 30 20 IKED Cc1ccc(I)cc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 477128715 QDSYEWHZWGITGM-ZDUSSCGKSA-N 436.318 5.246 30 20 IKED CCCCCC(=O)NC1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 479560179 UAQWVQZWFINFGA-UHFFFAOYSA-N 435.593 5.011 30 20 IKED C[C@@H](N[C@H](c1ccccc1F)c1nccn1C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 480332666 JCOFMFXTSZYJFG-KZULUSFZSA-N 445.382 6.037 30 20 IKED N#Cc1ccc(N2CCC[C@H](Sc3nnc(-c4cccc5ccccc45)o3)C2=O)cc1 484546056 WJLAIRWTPRBJGE-NRFANRHFSA-N 426.501 5.049 30 20 IKED CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Br 484791315 BSDFIABKWORSMK-UHFFFAOYSA-N 427.220 5.136 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccccc1C 488915216 KBOVLDARLNSSMP-KRWDZBQOSA-N 441.000 5.829 30 20 IKED N#Cc1cccc(CN[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)c1 489742313 QHYZJWGGMWLVIE-NRFANRHFSA-N 443.856 5.700 30 20 IKED CSc1nc(O)c(C(=O)N(Cc2ccc(-c3ccccc3C)s2)C(C)C)cc1C#N 498935106 CWMPGMHSIJNVGE-UHFFFAOYSA-N 437.590 5.469 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)cc1 500002657 IEHCMIKLFVKGPX-UHFFFAOYSA-N 426.545 5.909 30 20 IKED C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 501477891 KAPPURPCYNCRLS-BVZFJXPGSA-N 439.515 5.178 30 20 IKED N#Cc1cc(NC(=O)c2cnc(-c3ccc(F)c(F)c3)s2)ccc1OCC(F)(F)F 502939957 LFQCHDUXIUDBLK-UHFFFAOYSA-N 439.365 5.153 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC2(c3ccccc3OC)CC2)cc1 508287711 LCZAHHWYULRDKM-UHFFFAOYSA-N 443.503 5.221 30 20 IKED C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N(C)C[C@H](C)c1nccs1 508747875 PKBRIVUKPWCSNN-IBGZPJMESA-N 445.592 5.407 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc2)cc1 509228491 VPUPFLNHYUJSPE-UHFFFAOYSA-N 438.487 5.298 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2-n2ccnc2)cc1Cl 510917860 DAPYYWHKPJPAEZ-JOCHJYFZSA-N 441.922 5.503 30 20 IKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1ccc(OCC(F)(F)C(F)F)nc1 511543352 SLZMMGIYAJPILH-NSHDSACASA-N 438.343 5.213 30 20 IKED Cc1cc(NC(=O)c2ccc(COc3ccccc3C#N)o2)ccc1Oc1cccnc1 512134065 XLQMWVAFSDIJHQ-UHFFFAOYSA-N 425.444 5.478 30 20 IKED COc1ccc(Cl)cc1-c1cc(NC(=O)c2ccc(COc3ccccc3C#N)o2)n[nH]1 512846940 RWUYKPGFZNUOQB-UHFFFAOYSA-N 448.866 5.035 30 20 IKED CN(C[C@H]1OCCc2ccccc21)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 513984179 ZKIYKHQVISIGDV-ILBGXUMGSA-N 445.950 5.773 30 20 IKED N#Cc1cc(NC(=O)c2cccnc2Oc2ccc(F)cc2Br)ccc1Cl 514463689 HETPALGBRCYMMF-UHFFFAOYSA-N 446.663 5.553 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 515101855 KSVHLCVVRCMZJG-UHFFFAOYSA-N 431.348 5.576 30 20 IKED C[C@H](Sc1ccc(Br)cc1)C(=O)N(Cc1ccco1)c1ccccc1C#N 515636853 OAUXOWZCJVRFDK-HNNXBMFYSA-N 441.350 5.628 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3cccc(F)c3)C[C@H]3CCCO3)cc2)c1 517527951 NGAWKDSKUCNBGI-RUZDIDTESA-N 445.494 5.703 30 20 IKED C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@H]1c1nc2ccccc2s1 517626917 MKVGXUHQOMEKBA-ICSRJNTNSA-N 429.549 5.092 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OCc4cccs4)c3)n2)cc1 517800753 GJAMKQIYJHCTBP-OAQYLSRUSA-N 446.553 5.949 30 20 IKED Cc1ccccc1COc1cccc(CC(=O)Nc2ccccc2S[C@H](C)CC#N)c1 518738883 CRYRMXNIGQEATD-HXUWFJFHSA-N 430.573 6.150 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1nccnc1-c1nc2ccccc2s1 518804564 GYGNNBCINFSXRM-UHFFFAOYSA-N 426.954 5.297 30 20 IKED C[C@H]1CCCCN1Cc1ccccc1CNC(=O)Nc1ccccc1S[C@H](C)CC#N 520196000 UDQGIJHQXTXLNL-VQTJNVASSA-N 436.625 5.777 30 20 IKED Cc1cccc(Oc2ccc(Cl)cc2NC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)c1 520419139 XTUCOGPMUXWZIC-MRXNPFEDSA-N 433.895 5.128 30 20 IKED CC(C)C(=O)Nc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 520600501 APSNVWAQHLGPMQ-UHFFFAOYSA-N 428.492 5.267 30 20 IKED Cc1ccc([C@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1C 521281368 XRCICWAYMAZXPJ-HHHXNRCGSA-N 439.559 6.318 30 20 IKED COc1ccccc1[C@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 523423893 PTRTYBHBQUBNCU-QFIPXVFZSA-N 441.531 5.476 30 20 IKED C=C(C)COc1cccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccc(C(F)(F)F)cc2)c1 523713168 UYUMBBTYMBDZID-IRLDBZIGSA-N 446.469 5.209 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCSC[C@@H]2c2ccccc2)cc1Cl 523768701 ZFJSJDZNKSINCF-LADGPHEKSA-N 447.991 6.317 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c1 523942949 NMACNEXEYQMYLB-HSZRJFAPSA-N 436.870 5.357 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(Br)s3)cc2F)c1 524457452 HUSKQIILBQQQER-UHFFFAOYSA-N 431.286 5.353 30 20 IKED N#Cc1ccc(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)c(F)c1 525503818 BSQSIXYSIZLERR-LJQANCHMSA-N 439.899 5.414 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(F)ccc3OCC(F)(F)F)cc2)nc1 531226422 FXJIKWAYXRVKGI-UHFFFAOYSA-N 431.345 5.078 30 20 IKED CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 532385160 WXRYIYWYXYDSKW-LJQANCHMSA-N 435.524 5.326 30 20 IKED CN1CCC[C@@H](CNC(=O)c2ccccc2Oc2ccccc2C#N)[C@H]1c1cccs1 537557189 GSHJCBHKRNHPLB-CYFREDJKSA-N 431.561 5.225 30 20 IKED C=CCCC[C@H](C)NC(=O)Nc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1 538347691 QVFDNGUDTVFYHM-YOEHRIQHSA-N 431.968 5.219 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)cc1 540277938 UNWMTKHUSORJJW-SANMLTNESA-N 436.490 5.348 30 20 IKED C[C@@H]1C[C@H](C(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CCO1 541229013 IHXYTTDIDXYMIP-KKFJDGPESA-N 437.302 5.259 30 20 IKED N#Cc1ccc(CN(C(=O)CCCCOc2ccc(Br)cc2)C2CC2)cc1 541366581 ZRFVEPGGVXUZRZ-UHFFFAOYSA-N 427.342 5.061 30 20 IKED Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 541499430 NUGCWDBFQVTDNZ-UNMCSNQZSA-N 427.508 5.226 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(C)n([C@@H](C)C2CC2)n1 542386471 CXVJFMYPCVHEFC-AWEZNQCLSA-N 435.341 5.284 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NCc1ccc(F)c(C#N)c1 543506338 ZMULGZLXSKPRGC-GFCCVEGCSA-N 430.346 5.743 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)N1CCC[C@H](C(F)(F)F)C1 543620859 RXPOCKGQYKFBSZ-QWHCGFSZSA-N 436.318 5.683 30 20 IKED Cc1nc([C@@H](NC(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccc(Cl)cc2)no1 554212992 PQUTYHYYOCWMTL-YJYMSZOUSA-N 441.944 5.194 30 20 IKED C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC(c2ccnn2CC)CC1 563608056 UDJNJPBRPFTASC-UHFFFAOYSA-N 444.505 5.140 30 20 IKED Cc1c(C(=O)N2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)ccc(C(F)(F)F)c1F 563998989 NQRZGSKQGRGEKP-GFCCVEGCSA-N 439.331 5.008 30 20 IKED C[C@@H](NC(=O)CNc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(Cl)c(Cl)c1 572569669 SRNYRMUJVUBKHY-CQSZACIVSA-N 441.318 5.342 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 577419169 PGYXGBRDAOGZCS-MAUKXSAKSA-N 425.558 5.490 30 20 IKED CCCc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccc(F)cc1 579750947 QIZAKIDXLYUGNN-INIZCTEOSA-N 437.425 5.199 30 20 IKED C=CCOc1ccc(/C=C/c2nc(-c3cccnc3Oc3ccccc3)no2)cc1OC 598775081 SRCCPTFHZJHAPJ-WYMLVPIESA-N 427.460 5.668 30 20 IKED CSc1cc(C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)ccc1NC(C)=O 603784158 YOTXJJVKYZLVSZ-UHFFFAOYSA-N 447.535 5.533 30 20 IKED C[C@H](c1ccc(F)cc1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604166534 CRXKVJHGPTXMFZ-ZHRRBRCNSA-N 449.913 5.293 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 608841106 KNDXZDQVBZLBGA-LOSJGSFVSA-N 427.504 5.701 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc(OC)c1OC 609064730 GCGOFLGNEUDBHV-UHFFFAOYSA-N 428.488 5.135 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 609401969 ODRNJCAXNFGAJQ-HUUCEWRRSA-N 437.487 5.762 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC1(N[C@H](C)c2ccccc2)CCCC1 609469812 NEEAQOPBPQKFQJ-VQTJNVASSA-N 436.625 5.866 30 20 IKED C[C@@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1nc(-c2ccncc2)cs1 609523329 DGLAGMLOPJFVHV-QGZVFWFLSA-N 440.528 5.147 30 20 IKED CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 609694457 XTVDGSVQXOSNBT-HKBQPEDESA-N 448.613 6.009 30 20 IKED COc1ccccc1-c1ccc([C@H](C)NC(=O)CCCCOc2cccc(C#N)c2)cc1 610189333 XZPGEOGSIVJZJO-FQEVSTJZSA-N 428.532 5.660 30 20 IKED C[C@H](NC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1)c1cccc(C#N)c1 610363642 DUEHZPFDCCBXGT-HNNXBMFYSA-N 428.879 5.420 30 20 IKED N#CCC[C@H](NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1 610976224 HEBJRFHKQXXCFS-IBGZPJMESA-N 429.467 5.533 30 20 IKED CC(C)c1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cs2)cc1 613403625 HIVGDYLGRRTNTK-MRXNPFEDSA-N 436.487 6.168 30 20 IKED N#Cc1c(F)cccc1C(=O)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 614486437 FHMJRDYPVUPICI-XMMPIXPASA-N 448.542 5.026 30 20 IKED C=CCn1c(S[C@H](C(=O)N2c3ccccc3C[C@H]2C)C(C)C)nnc1-c1ccoc1C 639394170 FARBTPQCGPEASZ-IERDGZPVSA-N 436.581 5.127 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3ccccc3)no2)nc2sc3c(c2c1=O)CCC3 677549087 BMMOQFUHGLYPOP-CYBMUJFWSA-N 436.562 5.036 30 20 IKED CC(=O)c1ccc(Oc2ccc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)cc2)cc1 679980771 VRAXNYCWALESKR-HXUWFJFHSA-N 430.460 5.920 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(Br)c1F 683187320 SDKGUJQCPHGRPY-HTQZYQBOSA-N 436.165 5.228 30 20 IKED C#Cc1cccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccn3)SC2=S)c1 726628228 ZXFGLBZRFQEDRH-JCMHNJIXSA-N 428.538 5.048 30 20 IKED COc1c(O)cccc1/C=C/C(=O)c1sc(-c2ccc(Br)cc2)nc1C 727780999 ZNLBFGGUVLUAKK-DHZHZOJOSA-N 430.323 5.491 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C 728028486 KGXNCFHYCUAEEA-HSZRJFAPSA-N 449.551 5.174 30 20 IKED C#CCOc1ccc(NC(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)cc1 730982838 OXJJGBFDFUASFM-HNNXBMFYSA-N 426.925 5.267 30 20 IKED Cc1csc(SCc2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)n1 731025922 QTVDRLLXGGSPOW-OAHLLOKOSA-N 439.631 6.248 30 20 IKED Cc1nc(-c2ccccc2)ccc1C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731068273 YGOFZUAAJUDYQD-QGZVFWFLSA-N 445.544 5.247 30 20 IKED N#Cc1ccccc1COc1cccc(/C=C2/NC(=S)N(c3ccccc3Cl)C2=O)c1 731317887 FIFADZUCKXDZNM-FYJGNVAPSA-N 445.931 5.053 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccoc2COc2ccc(C=O)cc2)cc1 731607325 HJMCCNYXUKYOEE-RUZDIDTESA-N 436.467 5.579 30 20 IKED CCc1oc2ccccc2c1CN(C)C(=O)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1 733655035 WCTYHXSYVDNKNH-GOSISDBHSA-N 435.524 5.026 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2cccs2)C(=O)N[C@H]1c1sc(C)nc1C 736537848 IKYWBBCWMCZHCP-LJQANCHMSA-N 441.553 5.227 30 20 IKED C=CCCSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccc(Cl)c(OC)c1 739432846 XOIWSBOEYNNMED-UYRXBGFRSA-N 428.941 5.410 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cc(C#N)ccc2OC(F)F)c(Cl)c1 740783459 NXVOXEBFSMLKCQ-UHFFFAOYSA-N 437.830 5.412 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 741638395 MTUVKQFBTTVJLM-UHFFFAOYSA-N 442.446 5.017 30 20 IKED COc1ccc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1SC(F)(F)F 743842544 HKEMOHYNIIKDJH-QWRGUYRKSA-N 441.359 5.870 30 20 IKED O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(-c2ccncc2)cc1 745990582 VDKZTCZROBCDES-SEYXRHQNSA-N 428.495 5.892 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(C)[C@H](C)c2ccc(C(F)(F)F)cc2)cc1C#N 752305362 NMMQISXDSBANJI-CYBMUJFWSA-N 434.418 5.370 30 20 IKED N#Cc1ccccc1N1C(=O)/C(=C\c2ccc(OCC(F)(F)F)c(F)c2)SC1=S 753996968 ZNAJJUKVOMZKJF-LZYBPNLTSA-N 438.427 5.044 30 20 IKED Clc1ccc(CSc2nncn2N=Cc2c(Cl)cccc2N2CCCC2)cc1 763358919 GYZZHCLCYNFYAG-UHFFFAOYSA-N 432.380 5.360 30 20 IKED C[C@H](C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(C)(C)C 764755392 VJPGIKZMBNFMKM-ZCFIWIBFSA-N 444.256 5.653 30 20 IKED N#Cc1c(Cl)nsc1N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 768920737 RPYZYRIFHKFYIC-GFCCVEGCSA-N 441.784 5.284 30 20 IKED N#CCOc1ccc(CNC(=O)N(Cc2ccccc2Br)C2CCCC2)cc1 769098069 BBNIFXKFJZMQJC-UHFFFAOYSA-N 442.357 5.006 30 20 IKED COC(=O)C[C@H](NC(=O)Nc1ccccc1O[C@H](C)C#N)c1ccc(-c2ccccc2)cc1 771190710 JUZVDGRFDWVXJS-JPYJTQIMSA-N 443.503 5.070 30 20 IKED Cc1cc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)ccc1NC(=O)OC(C)(C)C 772688112 NYFAUCCMMRKROU-QGZVFWFLSA-N 434.323 5.644 30 20 IKED CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(Oc3ccc(F)cc3)cc2Cl)cs1 774139695 VMEFCZZFKJSVFJ-IZZDOVSWSA-N 444.915 5.997 30 20 IKED COc1cccc([C@H](OC(=O)c2cn(CCCC#N)c3ccccc23)c2ccncc2)c1 774189849 LFJIVFMVAJABDD-RUZDIDTESA-N 425.488 5.295 30 20 IKED N#CCCCOc1cccc(NCc2cc(Br)cc(Br)c2O)c1 775748197 WYLYQXFHJFWNGZ-UHFFFAOYSA-N 440.135 5.212 30 20 IKED CC(=O)N(c1nc(C=NN[C@H](Cc2ccccc2)C(C)C)cs1)c1ccc(F)cc1F 777449753 YSGVHHJRLIMKAO-OAQYLSRUSA-N 442.535 5.297 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2cc(Cl)ccn2)cs1 777907389 SKQWFWFTVBYOMY-UHFFFAOYSA-N 439.850 5.341 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccccc1-c1ccc(Cl)cc1 780054999 BNIYVCBSTQMCBW-IRXDYDNUSA-N 447.922 5.114 30 20 IKED C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)[C@H](C#N)c3nccc4ccccc34)cc2[N+](=O)[O-])C1 792090334 FJJYBIGAGBQENT-CBGDNZLLSA-N 428.492 5.115 30 20 IKED CC(C)[C@@H](Oc1ccc(Br)cc1)c1noc(Cc2cccc(OCC#N)c2)n1 795761158 VRCIVHCSJUAHIF-HXUWFJFHSA-N 442.313 5.101 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(CC(F)(F)F)C2=O)c1 799212755 XZFIXHWFGMYVMS-SFHVURJKSA-N 449.498 5.134 30 20 IKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)OCCCC1(C#N)CCOCC1 800080055 OZAWJFARXYXXQS-UHFFFAOYSA-N 448.519 5.281 30 20 IKED C[C@@H](Cc1cncc2ccccc12)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 805857863 IQLQKJIVPBQNNS-UGSOOPFHSA-N 439.462 5.918 30 20 IKED C[C@H](OC(=O)C1(Cc2ccc(F)cc2Br)CCOCC1)c1ccc(C#N)cc1 814594762 ALQRWOYZFCALKG-HNNXBMFYSA-N 446.316 5.104 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)n2)cc1 915099834 CPZFLHAIDBOTLB-HNNXBMFYSA-N 444.343 5.032 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccnc2OC2CCCC2)cc1 915353352 NGFWWPRIOIMFFY-DEOSSOPVSA-N 426.520 5.380 30 20 IKED COc1cc([C@H](C)/N=C\c2cc(Cl)cc([N+](=O)[O-])c2O)ccc1OCc1ccncc1 915981738 WSWWPXNUGYETQZ-NDUKVXLSSA-N 441.871 5.117 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2COc3ccccc3C2)cc1Cl 916200008 RYETULWUVSFFPJ-HTAPYJJXSA-N 431.923 5.368 30 20 IKED Cc1cc(Br)oc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916905797 NGDOWPCXXQDIRR-HNNXBMFYSA-N 439.265 5.104 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 916947606 OFFXXOVTLRXFAS-KKSFZXQISA-N 443.503 5.315 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3ccc(F)cc3)nc2C)cc1 916955804 VCMBPXVUFLPTDD-XOBRGWDASA-N 435.524 5.732 30 20 IKED Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1 919802590 YSCOMOJJYWCHGA-DNVCBOLYSA-N 437.952 5.181 30 20 IKED COc1ccc(CCCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC 920873175 YMOJQPHFHYOWOQ-HSZRJFAPSA-N 429.520 5.114 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C)c(Cl)c3)cc2)CCC1 1785947936 YZQKUAXMTOVDKQ-QGZVFWFLSA-N 441.959 5.197 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3onc4ccccc34)CCC2)cc1 1786103298 PCOLHKGJULEADR-UHFFFAOYSA-N 429.520 5.344 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)COc3ccc(F)cc3)CCC2)cc1 1789452087 ZJILQMRDVHTYQS-QHCPKHFHSA-N 436.527 5.107 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2cccc(C)c2)[C@@H]1c1cccnc1 1804036721 UBRJAUUODJSYNI-RSXGOPAZSA-N 447.623 5.021 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2F)[nH]n1 1819301916 VNKDDRLCZCDDPG-OXQOHEQNSA-N 444.938 5.277 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(C)s2)[nH]n1 1819304118 ZSJLCNNWQMHSJM-PZJWPPBQSA-N 440.613 5.173 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ncsc23)[nH]n1 1819306854 HGKSFWKCEMYSIF-OXJNMPFZSA-N 449.580 5.094 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(OC)ccc2C)n[nH]1 1821173869 WCGJCCKNRPFRRZ-OAQYLSRUSA-N 438.572 5.025 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)n[nH]1 1822104547 JVFSNQKDKOEOED-ZHALLVOQSA-N 436.547 5.076 30 20 IKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)[nH]n1 1822402223 GYIAGFMGEICNBP-SFHVURJKSA-N 447.366 5.017 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2C2CC2)n[nH]1 1823131476 OEIWEHFRWIKGRO-AUSIDOKSSA-N 432.568 5.361 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cnc(C)s2)CC1 1823755208 NNCKMVMCOUAMQD-NEQMZLFVSA-N 443.657 5.077 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc3ccccc23)CC1 1827997400 RGIOGRSYUKZLAC-AREMUKBSSA-N 445.607 5.237 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](F)c2ccccc2)CC1 1828821266 IUDOVOGBMBEPAA-SMIHKQSGSA-N 426.576 5.085 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3sccn3c2)CC1 1828825609 YPOUWLUMGDJSKX-VXKWHMMOSA-N 439.625 5.003 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1830994949 KFMODMBLSKBUGA-JTSKRJEESA-N 442.003 5.267 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2cccc(Cl)c2C)cc1 11257285 PQWYGKWEZJNJOI-UHFFFAOYSA-O 438.016 6.166 30 20 IKED Cc1oc(NC(=O)COC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)c(C#N)c1C 11520039 RBRLTCUJXAKLDZ-UHFFFAOYSA-N 439.471 5.087 30 20 IKED C=CCn1c(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)nnc1-c1ccoc1C 21925256 NDUHWOKBJGZMQK-UHFFFAOYSA-N 438.597 6.010 30 20 IKED C=CCn1c(S[C@H](C)c2nc(C(C)C)no2)nc2scc(-c3cccs3)c2c1=O 27770386 XPEJLFCVTPBJFD-GFCCVEGCSA-N 444.607 5.732 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nnc1-c1ccco1 28503370 PHBAWOULELXRAP-HNNXBMFYSA-N 438.553 5.072 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 63390104 PIZNTXADWDPHSS-UHFFFAOYSA-N 445.401 5.019 30 20 IKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)nnc1-c1ccccc1 63413979 QFIHNKRQSNHLKB-UHFFFAOYSA-N 444.347 5.780 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1OC(F)F 64714410 YMIMGMYQXBVZLZ-LLVKDONJSA-N 436.386 5.188 30 20 IKED Cc1ccc(S(=O)(=O)n2ccc(C(=O)/C=C\c3csc(-c4ccsc4)n3)c2)cc1 98055902 OEWYIGBCHMUOHD-DAXSKMNVSA-N 440.571 5.115 30 20 IKED N#C[C@H](C(=O)COc1ccc(Oc2ccccc2)cc1)c1nc2ccccc2n1C(F)F 195557378 ZTXIFCWRUFOKPW-LJQANCHMSA-N 433.414 5.479 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2C)nnc1-c1ccccc1F 216104433 INGQNCKHYNAALO-CQSZACIVSA-N 430.936 5.351 30 20 IKED N#C[C@@H](NC(=O)c1ccc(-c2ccccc2)nc1O)c1ccc(OCc2ccccc2)cc1 303242249 KHUJLYLMZURRET-RUZDIDTESA-N 435.483 5.028 30 20 IKED C[C@@H](Sc1nnc(-c2cccc3ccccc23)o1)C(=O)N(CCC#N)c1ccccc1 303943324 XQXZAYUOFUVAFM-QGZVFWFLSA-N 428.517 5.317 30 20 IKED C=CCN(C(=O)c1ccc(-c2ccc(C)c(C)c2)cc1F)c1nc(C(=O)OCC)cs1 409868190 CQKAVVKVBHAFEE-UHFFFAOYSA-N 438.524 5.576 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccccc1 432624677 WCDLCNWWDCZOGM-GOSISDBHSA-N 427.430 5.448 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1-c1ccccc1Cl)c1ccc(C#N)cc1 434733921 VGOOKKSRONRYGF-CQSZACIVSA-N 438.314 5.348 30 20 IKED Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 437462954 XNOSLCQEMBGBIQ-UHFFFAOYSA-N 444.441 5.684 30 20 IKED C[C@H]1[C@H](C)CCC[C@H]1N(Cc1ccc2c(c1)OCO2)Cc1nnc(-c2cccc(C#N)c2)o1 441517137 PXAVUSBTGHYUTB-KGVIQGDOSA-N 444.535 5.164 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1ccc(Br)s1 443329317 RTQUHHJJBGSGDA-QWHCGFSZSA-N 438.416 5.194 30 20 IKED CN1CCC[C@H](CNCc2cccc(OCc3cccc(C#N)c3)c2)[C@@H]1c1cccs1 462731360 NBYWRELSGGPEJI-ZEQKJWHPSA-N 431.605 5.371 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)cc1Cl 463393757 QSJQOLKNIRYJFC-HSZRJFAPSA-N 443.934 5.525 30 20 IKED C[C@H](O)C[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1 468864856 FYFZEPZEMXXCFU-CVDCTZTESA-N 430.573 5.135 30 20 IKED CN(Cc1cccc(NC(=O)c2cn(CCCC#N)c3ccccc23)c1)Cc1cscn1 469387586 BCZUUHAGGQPNTP-UHFFFAOYSA-N 443.576 5.286 30 20 IKED C=C(C)[C@@H](NC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C)c1ccc(F)c(F)c1 477739921 GLQBMVILPGRWFT-WOJBJXKFSA-N 430.886 5.058 30 20 IKED C=C(C)Cn1c(SCC(=O)N(Cc2ccc(C)s2)C(C)C)nnc1-c1ccco1 481155735 KGFBNZSJVBAHRM-UHFFFAOYSA-N 430.599 5.013 30 20 IKED N#C[C@@H](C(=O)c1ccnn1-c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 483483620 HIOTUXOXKLOTEM-INIZCTEOSA-N 439.327 5.793 30 20 IKED CC(C)(C)c1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c(C#N)s1 486439335 SOVHYVBNPGBZDJ-UHFFFAOYSA-N 435.505 5.657 30 20 IKED C=C(C)Cn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccncc1 489386294 FMHWDEUKHCZHBW-CYBMUJFWSA-N 448.379 5.342 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(Cl)cc3C)o2)cc1 489787125 DISPJVYQHRVSNB-CQSZACIVSA-N 429.929 5.383 30 20 IKED CN(Cc1cccc2[nH]ccc12)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 494771918 IVCWLCKDBXEXMA-UHFFFAOYSA-N 428.467 5.422 30 20 IKED COc1cccc(Oc2ccc(N[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)cc2)c1 495564842 VRKLZSMLKPNLEZ-OAHLLOKOSA-N 433.533 5.348 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(c3ccccn3)CC2)cc1Cl 504287954 AMGVDYLMHCNEPG-JOCHJYFZSA-N 445.954 5.181 30 20 IKED C=CCCc1ccccc1NC(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 505044576 BPPARYUUDINDMF-UHFFFAOYSA-N 445.485 5.250 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(Cl)c4ncccc34)s2)cc1 509016164 PMEGOCKRTLUDKF-UHFFFAOYSA-N 437.937 5.156 30 20 IKED Cc1cc(NC(=O)[C@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)nn1CCC#N 509281706 JUKUXVHZTDDRSJ-HXUWFJFHSA-N 429.307 5.171 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nc2ccccc2[nH]1 510022509 DIWHYYGOHRZJLY-KXBFYZLASA-N 429.911 5.754 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 515442450 UTDDAYSZPHORKS-INIZCTEOSA-N 439.943 5.022 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H]1CCc2c(Cl)cccc21 516289695 PIWXDJABSXKUOC-HSZRJFAPSA-N 445.906 5.055 30 20 IKED Cc1cc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(C)s1 516306500 OTSMJECGAMXATQ-MRXNPFEDSA-N 433.533 5.153 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccccc1C(=O)Nc1ccccc1 517447278 FUFKTVYSKOCWMH-SFHVURJKSA-N 445.544 5.208 30 20 IKED COc1ccc(Br)c2[nH]c(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc12 517455564 RTHAJEVZTDSVMR-LBPRGKRZSA-N 444.354 5.443 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 517528180 TXQINOLVUNXVKG-BTYIYWSLSA-N 442.009 6.707 30 20 IKED Cc1cccc2c1CC[C@H]2NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 517954247 AJIKKPFZTPDGNT-JOCHJYFZSA-N 445.906 5.055 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 518062209 SXVPXQTXTLGFNZ-AREMUKBSSA-N 439.515 5.245 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCCN(c4ncccc4C(F)(F)F)C3)c2C#N)C1 518172013 LEYICMFDOGDSFK-UONOGXRCSA-N 448.514 5.013 30 20 IKED N#Cc1ccccc1COc1cccc([C@@H]2Nc3ccccc3C(=O)N2Cc2cccnc2)c1 519514834 SYRDYGADXMUINH-HHHXNRCGSA-N 446.510 5.299 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C[C@@H](c1ccccc1)C(F)(F)F 521733248 BVIUONAXXWBBCK-HNNXBMFYSA-N 446.416 6.386 30 20 IKED N#Cc1ccccc1COc1cccc(CNCCc2nc(-c3cccc(Cl)c3)no2)c1 522284017 WRBVRKPLQFBAAO-UHFFFAOYSA-N 444.922 5.173 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)c1 522593146 IMAVRTFPSOIQHF-UHFFFAOYSA-N 446.894 5.540 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CC(C)C)c1cc(Cl)ccc1OC 523449488 KQESVUUZFWLURF-QFIPXVFZSA-N 443.975 5.166 30 20 IKED COc1ccc(Br)cc1S[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 525519034 KJHBOHOFGVEXJX-JTQLQIEISA-N 425.735 5.102 30 20 IKED Cc1nnc(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)n1[C@H]1CCC[C@@H](C)C1 536089402 GQNWWJCCFGLFIF-ZBFHGGJFSA-N 443.642 5.271 30 20 IKED CC[C@H](C)n1ncc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C1CC1 536486223 RTUYENHVFOEZNM-HRAATJIYSA-N 447.970 6.684 30 20 IKED C=CCC[C@@H](N[C@H](C)c1ccc(NS(C)(=O)=O)cc1)c1ccc(C(F)(F)F)cc1 536839020 KPITWFPDFBTMPE-FOIQADDNSA-N 426.504 5.435 30 20 IKED COc1cc(CN[C@H](C)c2ccc(-n3cccn3)cc2)ccc1OCc1cccc(C#N)c1 540436986 UNLCDVVDLAQLRJ-HXUWFJFHSA-N 438.531 5.182 30 20 IKED C[C@@H](NC(=O)c1ccccc1Oc1ccccc1C#N)c1ccc(NC(=O)C2CC2)cc1 540873586 ILBHIGJMJDPOJC-QGZVFWFLSA-N 425.488 5.190 30 20 IKED N#Cc1ccc(-n2ccc(NCc3cc(Cl)ccc3OCc3cccnc3)n2)c(F)c1 541065304 NYQODYIDPDPHPL-UHFFFAOYSA-N 433.874 5.123 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1 542742126 RPVRUTAJGMFHCF-NOZRDPDXSA-N 429.495 5.084 30 20 IKED C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 549665957 DGEFJWLVOYCFIO-UHFFFAOYSA-N 435.959 5.030 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](c2ccsc2)C1 549685693 RULQMNVNNRFACT-KNQAVFIVSA-N 438.597 5.250 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 553418621 XHRURVYMCDQZCF-UHFFFAOYSA-N 438.505 5.050 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)s2)cc1 553962591 YHDCHJKNIFNIQP-GOSISDBHSA-N 445.466 5.531 30 20 IKED N#CCCN(C(=O)c1csc(-c2cc(Br)cs2)n1)c1ccc(F)cc1 554286187 BFGGODXOTUNNGM-UHFFFAOYSA-N 436.331 5.334 30 20 IKED C=CCC(F)(F)c1nc(Cc2cc(Cl)c(OCC(F)(F)F)c(OCC)c2)no1 556286853 UWWWIEVRFVJYGE-UHFFFAOYSA-N 426.769 5.322 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H](C)c2nccn2-c2ccccc2)cc1OC 579876683 NBUHYXQXBXVFNO-INIZCTEOSA-N 442.357 5.059 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2nc(CC(F)(F)F)cs2)cc1 580369997 NFGJJJGSDNQDCQ-UHFFFAOYSA-N 433.480 5.664 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)c1 589740983 OLLPSSUFPCLWCL-UHFFFAOYSA-N 440.341 5.476 30 20 IKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c12 592974049 MZKUVBBOEAFQGV-CQSZACIVSA-N 447.520 5.244 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cn(C)nc3-c3ccccc3Cl)n2)cc1 595869224 GPTLVHSHUPBWMN-KRWDZBQOSA-N 448.935 5.363 30 20 IKED CCOc1ccc([C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OC 603595566 SXLKUHQUFVVHMD-SFHVURJKSA-N 446.572 5.749 30 20 IKED C[C@H](Nc1cccc(OCCCC#N)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 604044332 IWFVHEXOTOJWQR-ZDUSSCGKSA-N 425.838 5.480 30 20 IKED Cc1cc(C)c(NC(=O)[C@H](C)Nc2cccc(OCc3cccc(C#N)c3)c2)c(Cl)c1 604044435 OVGGUCMZABIUOX-SFHVURJKSA-N 433.939 5.847 30 20 IKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1ccccc1Sc1ccccc1C#N 604519989 XMFCKJIPQODWKC-BKMJKUGQSA-N 442.584 5.949 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(OCc3ccncc3)cc2)c1 609178324 PFXWJHXNLUVKQC-UHFFFAOYSA-N 435.483 5.364 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1nc2cc(Cl)ccc2s1 609326854 PUUZCRRNNQGBAH-UHFFFAOYSA-N 448.935 5.888 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 609377684 CAIQHOASNCAJJK-CQSZACIVSA-N 438.503 5.143 30 20 IKED COc1ccc(CCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1Br 609378157 XWPZHUYFIHCSSO-CQSZACIVSA-N 433.371 5.281 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 609431428 NVQSAQWNFNIXIP-LBPRGKRZSA-N 439.415 5.182 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(COc4cccc(F)c4)c3)cc2)nc1 609499473 BLISQMCSHBOYFT-UHFFFAOYSA-N 439.446 5.716 30 20 IKED COc1ccc2[nH]cc(CCNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)c2c1 609601675 PLLNOTUANAPCRL-UHFFFAOYSA-N 440.503 5.513 30 20 IKED COCCOCc1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 609723549 CXVKICWTKWAHJN-UHFFFAOYSA-N 436.895 5.419 30 20 IKED Cc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)s1 609723762 AIYFVOQYFIZARX-AWEZNQCLSA-N 425.941 5.911 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCS[C@H](c3ccccc3)C2)cc1 609807758 NGBPKOJMZBSXKF-DEOSSOPVSA-N 445.544 5.681 30 20 IKED C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccc(C#N)c1 610323524 CKGWPKQCPRHUTN-MRXNPFEDSA-N 430.895 5.545 30 20 IKED CC(C)CCC[C@@H](C)N(CCC(C)C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 610401848 DJWIAJSERBDOER-OAQYLSRUSA-N 427.637 5.195 30 20 IKED CC(C)(C#N)c1ccc(CN[C@@H](CC(F)(F)F)c2ccc(Br)cc2)cc1 614185791 IJENMFUAGCTUEU-SFHVURJKSA-N 425.292 6.034 30 20 IKED N#Cc1ccc(N2CCC[C@@H]2c2nc(-c3ccc(Cn4cnc5ccccc54)cc3)no2)cc1 614970096 VJJBVOMYLUKNJV-RUZDIDTESA-N 446.514 5.348 30 20 IKED N#C[C@@H](C(=O)c1cnc2ncc(Br)cc2c1)c1nc2cc(Cl)ccc2s1 682012760 PUCLPWSLZMOQFA-ZDUSSCGKSA-N 443.713 5.145 30 20 IKED COc1ccc(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1Cl 726908492 MDYPWHZUXIRROO-UHFFFAOYSA-N 439.924 5.830 30 20 IKED COc1ccc(-c2nc3c(s2)C(=NNc2ccc(Br)cn2)CCC3)cc1 727778859 JMVHTAWRZZVAKO-UHFFFAOYSA-N 429.343 5.129 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CCC[C@H]2c2ccccc2C(F)(F)F)c1=S 728050307 RPBCJDIPGXPVTE-IBGZPJMESA-N 445.514 5.475 30 20 IKED COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 729035054 XMDIMRFWHMFTIV-CQSZACIVSA-N 437.883 5.601 30 20 IKED COc1cc(C(=O)/C=C/c2ncc(-c3cccc(Br)c3)[nH]2)ccc1SC 731937116 FZMABMKABYTCTP-VQHVLOKHSA-N 429.339 5.466 30 20 IKED Cc1cc[n+](/C(C(O)=C2C=CC(=NC(N)=O)C=C2)=C(/S)Nc2ccc(C(C)C)cc2)cc1 732177216 FEIAIPHMBOKTBY-UHFFFAOYSA-O 447.584 5.032 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC([C@H](O)c4ccc(F)cc4)CC3)cc2)cc1 732289585 AAGTYXSSXJVLJE-AREMUKBSSA-N 444.506 5.270 30 20 IKED C[C@@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 732377186 CJVBNTNYHZKKRL-SFHVURJKSA-N 446.478 5.060 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2ccc(N3CCc4sccc4C3)cc2)c1 733629454 FOWHNNMBVIYTBI-UHFFFAOYSA-N 432.549 5.637 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1 733842848 BUSSXOOXIBAUBH-JOCHJYFZSA-N 443.507 5.333 30 20 IKED C[C@H](OC(=O)c1cccc(COc2ccccc2C#N)c1)c1nnc(-c2cccs2)o1 734200722 BTELUVBWAAGXEK-HNNXBMFYSA-N 431.473 5.167 30 20 IKED CC[C@@H](NC(=S)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccs1 734378265 OSTBSFKXLXXDTE-LJQANCHMSA-N 425.554 5.776 30 20 IKED CSc1cccc([C@H](NC(=O)Cc2ccc(OCC#N)cc2)c2cc(F)ccc2F)c1 742803221 IAWVIOGIELZLJP-DEOSSOPVSA-N 438.499 5.037 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cccc(Cl)c2C(N)=O)c1 742831122 QTYRPIDRYBSWQL-UHFFFAOYSA-N 426.259 5.009 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 743121416 MVRSUGCUDYFELB-UHFFFAOYSA-N 447.579 5.573 30 20 IKED C#CCOc1ccc(NC(=O)N(Cc2ccccc2)[C@H]2CCOc3ccc(OC)cc32)cc1 743152458 VZDQHYOBLHECDT-VWLOTQADSA-N 442.515 5.265 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1NC(=O)OC(C)(C)C 744038426 UOVXLUMFNUJAJF-HNNXBMFYSA-N 440.450 5.577 30 20 IKED CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCc2ccc(OC)c(O[C@H](C#N)CC)c2)o1 745820881 WUFGCOKKFJHWHI-YYWHXJBOSA-N 439.556 5.214 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 745922615 LSJBFLXZDNAPDQ-LBPRGKRZSA-N 437.352 5.564 30 20 IKED C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 746659598 LNCVRPQXVMUNCY-KKSFZXQISA-N 438.358 6.874 30 20 IKED N#CCn1c(C(=O)O[C@H](c2ccccc2)c2nc(-c3ccccc3)no2)cc2ccccc21 749053608 JICBWESPGBXFMM-HSZRJFAPSA-N 434.455 5.161 30 20 IKED CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 751543860 SOMMCSZQHRPNMO-IZZNHLLZSA-N 445.538 5.705 30 20 IKED C[C@H](ON=C(c1ccccc1)C(F)(F)F)C(=O)N(c1nccs1)C1CCCCC1 751953752 DLDRTTZRSZTPIF-AWEZNQCLSA-N 425.476 5.181 30 20 IKED COc1cc(CN[C@H](C)c2nc3ccccc3s2)ccc1OCc1cccc(C#N)c1 754714562 VSQUWKYSCJHBFD-QGZVFWFLSA-N 429.545 5.606 30 20 IKED CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 758411474 ZJSUMCHPKJVBRE-AUSIDOKSSA-N 433.552 5.318 30 20 IKED Cc1ccc(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c(OCc2ccccc2)c1 761837671 SWVBSUALAIZFOJ-VWLOTQADSA-N 427.504 5.051 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)Nc3ccnc(Oc4ccccc4Cl)c3)CCO2)c1 761869359 AARDEYZZWTZUIG-NRFANRHFSA-N 434.883 5.004 30 20 IKED CCCCc1ccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccc(C)cc2)cc1 762438649 BAPVEMWHUORZAR-UHFFFAOYSA-O 428.581 5.820 30 20 IKED CCS[C@H](C)c1noc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)n1 765910431 SQGIFOHQYZOVMW-UZLBHIALSA-N 435.553 5.203 30 20 IKED CCC(CC)C(=O)N1CCC(=NOCc2cc(-c3c(OC)ccc4ccccc34)no2)CC1 778026248 MDIKRAVHSNRCDV-UHFFFAOYSA-N 449.551 5.435 30 20 IKED CCOc1cc(/C=C2\CN(C(C)=O)Cc3ccccc3C2=O)ccc1OCc1ccccc1 778517409 LTLWGQCGGPMGPX-BUVRLJJBSA-N 441.527 5.293 30 20 IKED N#C[C@@H]1C(CN2CC=C(c3ccc(Cl)c(Cl)c3)CC2)=CC(=O)n2c1nc1ccccc12 781350328 IXKRDBABKFYNOE-GOSISDBHSA-N 449.341 5.320 30 20 IKED C[C@H](C=Nn1c(S)nnc1CSc1ccccc1)c1cccc(Br)c1 782245032 GUCHGZUSWXBFCP-CYBMUJFWSA-N 433.400 5.259 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H]2c2ccc(Br)s2)c1 784322751 GLCTUGTZALNOKO-WBVHZDCISA-N 448.386 5.238 30 20 IKED C[C@H](OC(=O)CCN1c2ccccc2Sc2ccccc21)C(=O)Nc1ccccc1C#N 785485144 MSWRHDYDNRUJHS-KRWDZBQOSA-N 443.528 5.121 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H]2CCc3cc(Br)cc(C)c32)ccc1OC 786850810 ALUCGLUGWWMQSE-RTBURBONSA-N 429.358 5.224 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cn1nc(C(F)F)n(C)c1=S 789561824 ZFKDSCJPSJTVOG-UHFFFAOYSA-N 434.356 5.016 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2cccc(CC(C)C)c2)cs1)c1ccc(F)cc1F 794720289 SLHVPZHIZWVMBQ-CSKARUKUSA-N 440.515 6.201 30 20 IKED N#Cc1cc(NCC(c2ccc(F)cc2)c2ccc(F)cc2)ccc1N1CCC(O)CC1 800242624 GPWRUIHNOYMPRQ-UHFFFAOYSA-N 433.502 5.042 30 20 IKED C=CCNC(=S)/C(=C(/O)c1ccc(C(F)(F)F)cn1)[n+]1ccc(C(CC)CC)cc1 804601506 NVIUGMQQFNXAGN-UHFFFAOYSA-O 436.523 5.278 30 20 IKED Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1csc(Br)c1 914559238 DXOSARIKEKRXOV-UHFFFAOYSA-N 434.171 5.247 30 20 IKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NNCc1cccc2cccnc12 915959215 JXPVOYZHBFWJRY-UHFFFAOYSA-N 443.860 5.525 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 916054466 IHUDHTBZEUOGNG-UHFFFAOYSA-N 434.471 5.161 30 20 IKED COc1cc(/C=C\C(=O)c2cccc(NC(C)=O)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 916137885 KOFYWRDDXPINNX-WQLSENKSSA-N 446.459 5.037 30 20 IKED CC(C)(C)c1ccc(OCc2nnc(S)n2N=Cc2csc(-c3ccccc3)n2)cc1 916320639 DWMMOUKZHDKCFM-UHFFFAOYSA-N 449.605 5.449 30 20 IKED Cc1cc(OCCCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1Cl 916928707 RNWLSIBUSACOAA-OAHLLOKOSA-N 439.726 5.462 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(COc3ccc(F)cc3)o2)cc1 916947503 LKGJYYCZWGITCZ-ZHRRBRCNSA-N 434.467 5.472 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccc(C)cc3)n2)cc1 916950498 UHLIXTDGEOGJJK-JTSKRJEESA-N 431.561 5.522 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 919909881 DYGVBPRFPLDOQQ-QHCPKHFHSA-N 443.503 5.269 30 20 IKED N#C[C@@H](C(=O)C1(c2cccc(Cl)c2)CCOCC1)c1nc2cc(Cl)ccc2s1 920113000 ODHKGXOFGWMZMV-INIZCTEOSA-N 431.344 5.528 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CNc4ccccc43)CCC2)cc1 1786103866 LGHNXYWBLOPSBX-HSZRJFAPSA-N 429.564 5.098 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CS[C@H]3CCCCO3)CCC2)cc1 1789453580 BGHXKMTVCCRGCZ-GGAORHGYSA-N 442.625 5.149 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@H]4c4ccccc4)CCC3)cc2)cc1 1790290114 GKASFTOTWWBONX-DQEYMECFSA-N 435.527 5.110 30 20 IKED Cc1csc(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)c1 1790705044 CVEVOCOSWDRVBN-UHFFFAOYSA-N 429.545 5.184 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)c(Cl)cc4F)cc3)CCC2)CC1 1792174918 JTQHLNSMMLVLOD-UHFFFAOYSA-N 446.309 5.184 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c(-c2ccc(C)cc2)c1 1794587106 QITXLANXSBWQOB-NUNAXRQHSA-N 433.596 5.234 30 20 IKED Cc1oc(C(C)(C)C)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@@H](C)C#N)c1 1803673106 IDCRAFVTZUPYRV-ZIPUMODLSA-N 447.579 5.078 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(Cl)cc3F)CC2)C1 1804857549 HPKJDAHLDUCWRZ-UHFFFAOYSA-N 434.983 5.316 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)C[C@@H](C)c2ccccc2)[C@H]1c1cccnc1 1812731967 XPQAQMJWYTVKSZ-YMVVMYQSSA-N 447.623 5.274 30 20 IKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1 1822401424 PNWUDRICEUYJFK-QFIPXVFZSA-N 430.508 5.084 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@]2(F)CCCC=C2F)CC1 1823755172 MDZWCKULPNOMIN-CPJSRVTESA-N 436.587 5.344 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C2CCCCC2)CC1 1830354845 ZYVSWQLZVNINBS-LJAHQNNKSA-N 426.645 5.511 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(OC)c2)CC1 1830462484 GPFHXEYKKXXCLF-DQEYMECFSA-N 438.612 5.005 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cc3occc3n1-c1ccccc1)C2 1844356694 DXOCOPAOVDTGTF-UHFFFAOYSA-N 445.563 5.033 30 20 IKED COc1ccc(/C=C2\N=C(SCCCC#N)N(c3ccc(OC(F)F)cc3)C2=O)cc1 9501520 HFYAQZYRDWETKA-RGEXLXHISA-N 443.475 5.077 30 20 IKED O=C(/C(=C(\S)Nc1cccc2ccccc12)[n+]1cccc(O)c1)c1ccc(Cl)cc1 11125268 GBAKLXQIUNDINR-UHFFFAOYSA-O 433.940 5.537 30 20 IKED C=CCn1c(C)nnc1S[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 21138012 ICNWGZFUYHMHPG-GOSISDBHSA-N 432.471 5.263 30 20 IKED C#Cc1cccc(NC(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 23359355 CSMPIHGWBQRDGM-UHFFFAOYSA-N 444.600 5.097 30 20 IKED COc1ccc(Br)cc1-c1nc(CSc2nc(C)nc(C)c2C#N)cs1 25960965 LGQNFPYAAXZGLU-UHFFFAOYSA-N 447.383 5.152 30 20 IKED C=CCN(Cc1cccs1)C(=O)Cc1csc(-c2cccc(Br)c2)n1 30999304 NTBRLPOZLOHTSY-UHFFFAOYSA-N 433.396 5.391 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N[C@@H](C)c1ccc(C#N)cc1 31759155 NSYACUIRKQJGKL-ZDUSSCGKSA-N 427.335 5.088 30 20 IKED Cc1ccc(NC(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)cc1C(F)(F)F 109721584 XSJXPSANGQKKBZ-UHFFFAOYSA-N 432.299 5.005 30 20 IKED N#Cc1ccc(N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)c(C(F)(F)F)c1 301498320 CIKAAYGSTYDCID-ZDUSSCGKSA-N 439.363 5.023 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc4cc(F)ccc4s3)s2)cc1 302526854 ASFYUNQWXUXEJK-UHFFFAOYSA-N 426.523 5.308 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1OCc1cccc(Cl)c1 303817217 WQBOXQZNHKBIRL-UHFFFAOYSA-N 435.911 5.079 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NC(=O)Nc3ccc(C#N)cc3Cl)s2)cc1 426155312 WHCKKELANVVTGH-ZDUSSCGKSA-N 426.929 5.535 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1 427446074 INLPXJSVBNTKIY-UHFFFAOYSA-N 440.613 5.795 30 20 IKED N#CCSc1cccc(C(=O)N2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)c1 429782549 FHBMKKYOITXJSM-IBGZPJMESA-N 448.375 5.242 30 20 IKED N#CCCC[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1)c1ccccc1 432916213 XJPSZPASJJZSQG-QHCPKHFHSA-N 430.483 5.635 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 437846901 RTHLXUAEFVLGGI-GKVSMKOHSA-N 429.495 6.413 30 20 IKED CC[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1c(C)nn(C)c1C 437964514 PTDQUBUREHMRSZ-JOCHJYFZSA-N 431.540 5.069 30 20 IKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)C(=O)Nc1cc(C#N)ccc1Cl 439325764 SLWBOTWQSABPHP-INIZCTEOSA-N 433.895 5.237 30 20 IKED CC(C)N(Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(-c2ccc(F)cc2)s1 441236216 ZBFZOQIXGGTTGC-UHFFFAOYSA-N 432.524 5.886 30 20 IKED N#Cc1ccc(-n2c(SCc3nc(C(F)(F)F)cs3)nc3ccccc3c2=O)cc1 443517944 FJYCBNNILJGNNW-UHFFFAOYSA-N 444.463 5.025 30 20 IKED CN(C(=O)c1ccc(NC(=O)c2c(F)cc(C#N)cc2F)cc1Cl)C1CCCCC1 445817194 DJCZHSXEYDRKDY-UHFFFAOYSA-N 431.870 5.147 30 20 IKED COC(=O)c1sc(-c2ccccc2Cl)cc1NC(=O)c1c(F)cc(C#N)cc1F 446014950 BSABRJROMDCEGJ-UHFFFAOYSA-N 432.835 5.257 30 20 IKED C=CCn1c(SCc2nc(Cc3cccc(F)c3)no2)nnc1-c1cccc(Cl)c1 447303512 SDDVXLTVDCNDNJ-UHFFFAOYSA-N 441.919 5.190 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 462828387 NDLKFXDCZPFRQI-GFCCVEGCSA-N 433.468 5.759 30 20 IKED COc1ccc(C[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)c2ccc(OC)cc2)cc1 462917311 QURYYCHKXLIHDV-HXUWFJFHSA-N 427.426 5.385 30 20 IKED CCN(C(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)[C@H](C)c1ccc(C#N)cc1 463136649 GGSYOFXOYJUUGC-QGZVFWFLSA-N 440.478 5.638 30 20 IKED CN(C(=O)Nc1ccc(F)cc1OCCC(F)(F)F)[C@H]1CCCC[C@H]1C(F)(F)F 463899370 VWFQLLVWXLMDNI-OCCSQVGLSA-N 430.364 5.742 30 20 IKED CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)c12 464471052 XKHCJPVRKKOLDD-HNNXBMFYSA-N 442.441 5.593 30 20 IKED C[C@@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)Sc1ccccc1 466314560 PFUVIUJKXJZLQS-KRWDZBQOSA-N 430.533 5.113 30 20 IKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)nnn1CC1CCCC1 468863709 GGXPNQWBRPPHSQ-UHFFFAOYSA-N 449.942 5.133 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCC(=O)c1ccc(Cl)cn1 469502074 SPKCFLHHMVTPEN-UHFFFAOYSA-N 433.895 5.096 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1c1nc(C(=O)OC)c(C)s1 470129277 VJKHFFURINHEKK-GOSISDBHSA-N 427.570 5.459 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCC[C@@H]3c3ccc(Cl)cc3)ccc21 470547618 FLQZSISQNHVKIO-OAQYLSRUSA-N 436.943 5.292 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(OCc4ccccn4)c(F)c3)cc2)nc1 471558271 WDGSZZISLYFWJY-UHFFFAOYSA-N 440.434 5.111 30 20 IKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3)n2C)nnc1-c1ccc(C)cc1 472212580 WMMQVKYHARZJRL-UHFFFAOYSA-N 436.972 5.181 30 20 IKED CCCOc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c(OC(F)F)c1 473717721 TUAFWLYPPZFKGL-UHFFFAOYSA-N 431.483 5.069 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1cccc(OC)c1)C1CCC(O)CC1 475561249 LIGZRKGHJIJXMC-UHFFFAOYSA-N 436.596 5.885 30 20 IKED CCc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 475653427 VXSVGEIVHAALRT-UHFFFAOYSA-N 435.911 5.113 30 20 IKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)Nc1cc(C#N)ccc1C)CC2 476789671 KSSNNOJDBOEUJK-HSZRJFAPSA-N 433.533 5.125 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCc1cccc(OCc2ccccc2C#N)c1 478271434 AYCFDXUOSQNLPG-INIZCTEOSA-N 442.485 5.364 30 20 IKED Cn1c([C@@H](NCc2ccc(C#N)cc2Br)c2ccccc2)nc2ccccc21 481427899 ZOCZAALWTDHCQS-QFIPXVFZSA-N 431.337 5.087 30 20 IKED Cc1[nH]c2ccc(Cl)cc2c1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 481965298 GQTFFSDCHHHHHW-UHFFFAOYSA-N 439.953 5.398 30 20 IKED CCc1c(NC(=O)c2cccc(SCC#N)c2)cnn1-c1cccc(C(F)(F)F)c1 482681570 JEGLJMKCHJSDDY-UHFFFAOYSA-N 430.455 5.321 30 20 IKED Cc1ccc(CN(C(=O)CSc2ccc(C#N)cc2)c2ccc3c(c2)OCCO3)s1 482843578 TUKQUGJAGAPHQM-UHFFFAOYSA-N 436.558 5.025 30 20 IKED CC(C)(C)[C@@H]1C[C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCO1 482984424 ASXHESVOTMWAOT-CBQOVEMMSA-N 425.960 5.711 30 20 IKED Cc1sc2ncnc(Sc3ccccc3C(=O)NCc3cccc(C#N)c3)c2c1C 487428307 KJJAIDXSEZBRQJ-UHFFFAOYSA-N 430.558 5.261 30 20 IKED O=[S@](Cc1coc(-c2ccc(F)c(F)c2)n1)Cc1cc(F)c(C(F)(F)F)cc1F 488742790 ULGFXMXQWKWQEC-LJAQVGFWSA-N 437.336 5.366 30 20 IKED N#Cc1ccc(CSc2nnc(-c3ccncc3)n2C2CCCCC2)c(OC(F)F)c1 488907515 ZQYLKKYLNXGBDM-UHFFFAOYSA-N 441.507 5.611 30 20 IKED COc1cc([N+](=O)[O-])ccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 495213666 SAWLBEJBCTXQNJ-CQSZACIVSA-N 448.287 5.524 30 20 IKED CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H]1c1ccc(OC)cc1 499430471 HEXZIOXHLOAGLP-NOZRDPDXSA-N 447.579 5.215 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)c2)cc1 499437422 QFIACSZKNGAWDM-NRFANRHFSA-N 432.277 5.108 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cccc([C@H]4CCCOC4)c3)c2)cc1 499479596 RKTWGOUHSPARJO-DEOSSOPVSA-N 426.516 5.478 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1nc2ccccc2o1 503405798 NAWSLDWJOGLRRB-INIZCTEOSA-N 434.249 5.268 30 20 IKED CC(C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 503572908 QAYPJUCAUWWIPR-XKCSPQBFSA-N 437.971 5.265 30 20 IKED C=CCN(CC=C)C(=O)[C@H](C)S[C@H](C)c1nc(O)c2c(-c3ccco3)csc2n1 505282377 YVKDFSZVPJPHKE-KGLIPLIRSA-N 429.567 5.040 30 20 IKED Cc1ccc(OCc2nc(CC(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)cs2)cc1 505547819 VKSYXTBOXZIDDI-GOSISDBHSA-N 446.359 5.261 30 20 IKED C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C(F)(F)F)C(C)(C)C1 508885399 PFZYNOKJSQQRSU-YOEHRIQHSA-N 426.458 5.158 30 20 IKED C=CCn1c(-c2sccc2C)nnc1N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 508983397 ADSSMKGRQRRCOQ-UHFFFAOYSA-N 446.498 5.018 30 20 IKED CN(CCOc1cccc(Cl)c1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509897374 JAOYCCVFQYVLQD-UHFFFAOYSA-N 449.938 5.528 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H]3c3ccc(Cl)cc3)c2)cc1 509915456 XESRAURWDPMIMK-VWLOTQADSA-N 445.950 6.354 30 20 IKED C=CCN(C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1nc(-c2ccccc2)cs1 510210515 QVVQUMWNNFFQMP-UHFFFAOYSA-N 447.947 6.484 30 20 IKED Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cnn1C1CCCCC1 511028643 NALUBHQCJVZGEB-UHFFFAOYSA-N 436.503 5.974 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)c1 513212395 LGGAGGKBMBYYDT-UHFFFAOYSA-N 447.494 5.642 30 20 IKED Cc1nc(-c2cccs2)sc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 515674646 WMCYTPMPQIXTNG-UHFFFAOYSA-N 444.541 5.556 30 20 IKED CCC[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 515914436 HHTXFHDXQQHGSI-VWNXMTODSA-N 445.950 5.592 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc(-c4ccc(Cl)s4)on3)c2)c1 515930542 BTSVAEIDHKNTIY-UHFFFAOYSA-N 448.891 5.433 30 20 IKED C[C@H](c1c(F)cccc1F)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 516365554 CAXOUZJEHGNSOI-QGZVFWFLSA-N 435.474 5.835 30 20 IKED CC(C)c1ccc(-c2nc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cs2)cc1 517079765 JAQSUAVCJRPLMV-UHFFFAOYSA-N 431.561 5.489 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C 517138621 WUPUQAZIDACKHP-KRWDZBQOSA-N 434.540 5.588 30 20 IKED CCOc1ccc([C@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1OCC 517473662 ICQDHOCJWOBCAG-SJORKVTESA-N 427.570 5.618 30 20 IKED C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(OCC(F)(F)F)cc1 517528940 AYKAZEOCSZLGIK-CABCVRRESA-N 437.487 5.905 30 20 IKED C=CCN(CC(=O)Nc1c(C(C)C)cccc1C(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 518752497 QQVYISKHXKDOFH-HXUWFJFHSA-N 446.599 5.097 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1 519878373 KUEOHYWKYHWKTB-CJFMBICVSA-N 447.579 5.031 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C1(c2ccc(C)cc2)CCOCC1 520329003 VEGGKXGMOCCBFA-UHFFFAOYSA-N 446.360 5.160 30 20 IKED C=CCc1ccc(OCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(OC)c1 524114774 NAPREDFFATUCKG-UHFFFAOYSA-N 442.515 5.200 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 525022296 SIEZVFZOSHCJGB-UHFFFAOYSA-N 428.275 5.703 30 20 IKED N#CC1(c2ccc(C(=O)N3CCCc4c(NC(=O)c5ccc(F)cc5)cccc43)cc2)CC1 539663491 YSYBPNDPWUDTHD-UHFFFAOYSA-N 439.490 5.226 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(Br)cc2)nc1)c1nc2ccccc2o1 539871575 CFQZNLRDMOZMGA-INIZCTEOSA-N 434.249 5.268 30 20 IKED N#CCCn1cc(CNc2cc(Cl)ccc2OC[C@@H]2CCCO2)c(-c2ccccc2)n1 539933097 CAHNJIDUMLGNKF-NRFANRHFSA-N 436.943 5.287 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(-c3cnn(C)c3)ccc2F)cc1 541079090 ZSDLNEQLAWHTOD-UHFFFAOYSA-N 442.450 5.151 30 20 IKED N#Cc1ccc(CN(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)C2CC2)cc1 541513022 FVSRECVKLLJADQ-UHFFFAOYSA-N 428.517 5.302 30 20 IKED O=C(CCC(F)(F)F)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 544017225 UZEZTCLIFKQPQM-SNVBAGLBSA-N 435.208 5.786 30 20 IKED C[C@@H](NC1CCN(C(=O)c2ccccc2Cl)CC1)c1ccc(-c2cccc(C#N)c2)cc1 544043685 NKGVXKLEUHVBKA-LJQANCHMSA-N 443.978 5.834 30 20 IKED N#CCc1ccc(-c2nc(-c3ccccc3-c3ccc(CN4CCCC4=O)cc3)no2)cc1 547026077 HGBKJQHXHKFVLN-UHFFFAOYSA-N 434.499 5.259 30 20 IKED Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C#N)CC3)n2CCc2ccccc2)c1C 549565420 RSCCSSCGUKSIDI-NRFANRHFSA-N 429.568 5.018 30 20 IKED C=CCn1c(-c2ncccc2C)nnc1N1CCC[C@@H]1c1ccc(Br)c(F)c1 554919514 MHBAWPITFWTTOU-GOSISDBHSA-N 442.336 5.078 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(OC2CCCCC2)CC1 558965584 XGNQLGOXXDVLKW-UHFFFAOYSA-N 431.584 5.388 30 20 IKED C=C(C)Cn1c(C(C)C)nnc1N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 558998028 NTVAMFXKSOUWPC-UHFFFAOYSA-N 436.387 5.140 30 20 IKED Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)c1ccc(F)c(C#N)c1 560077237 VJYVMENCQJQFNR-UHFFFAOYSA-N 430.458 5.995 30 20 IKED N#C[C@H](C(=O)c1ccc(CN2CCCCC2)cc1)c1nc(-c2c(F)cccc2F)cs1 560948293 PDJOGNGFSJXWHZ-GOSISDBHSA-N 437.515 5.564 30 20 IKED Cc1nc(SCC(=O)Nc2ccccc2SCCC#N)c2c(C)c(C)sc2n1 561154004 MPXVBXNAAVMXAA-UHFFFAOYSA-N 428.608 5.353 30 20 IKED COc1ccc(OCc2ccccn2)c(CNc2ccc(Oc3ccnc(C#N)c3)cc2)c1 569861249 VMVJFPMPEOAJTC-UHFFFAOYSA-N 438.487 5.340 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC(CCc4ccc(O)cc4)CC3)cc2)ccn1 574490017 GKBFODLQTMEAMO-UHFFFAOYSA-N 442.519 5.328 30 20 IKED N#CCCC[C@@H](NC(=O)C(=O)Nc1ccccc1Oc1ccccc1Cl)c1ccccc1 574931695 FBCHJBSJYWJUMK-HXUWFJFHSA-N 447.922 5.622 30 20 IKED CC[C@H](C)n1ncc2c(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)cc(C)nc21 577924511 ZAZVDUMLAVYAST-INIZCTEOSA-N 426.480 5.022 30 20 IKED C=CCn1c(SC[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)nnc1-c1ccccc1F 588635813 GPARFSWBUWUVEW-CRAIPNDOSA-N 447.963 5.154 30 20 IKED COc1cc2nc(NC(=O)c3ccccc3Sc3ccccc3C#N)sc2cc1OC 603924179 GVAAGTLUFFGXRU-UHFFFAOYSA-N 447.541 5.589 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2csc(-c3ccccc3)n2)cc1 604004077 XRXBFGVHBJAYDT-UHFFFAOYSA-N 425.513 5.707 30 20 IKED Cc1nc2ccnn2c(C)c1CCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604026432 ICRCVISZWIVXLU-UHFFFAOYSA-N 445.910 5.235 30 20 IKED Cc1ccc(-c2noc(CCC(=O)Nc3sc(-c4ccccc4)cc3C#N)n2)cc1F 604116916 HUCPEZVFEFGUIS-UHFFFAOYSA-N 432.480 5.356 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2cnn(C[C@H]3CCCO3)c2)cc1Cl 604316376 BNYVBEDHOPOQJQ-CTNGQTDRSA-N 435.915 5.015 30 20 IKED N#Cc1cnn(-c2ccc(C(=O)Nc3ccccc3Oc3ccccc3Cl)cc2)c1N 608924500 MYXOGYMBAGDXSD-UHFFFAOYSA-N 429.867 5.024 30 20 IKED N#Cc1ccc(CN(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C2CC2)cc1 608998396 ADXPWWTVFUBEAT-ZSHCYNCHSA-N 433.396 5.142 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 609370824 AELAHALKNOOUEU-INIZCTEOSA-N 449.605 5.270 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(-c2nc3ccccc3s2)o1 609398275 QVDCGXXUCNCODT-HNNXBMFYSA-N 448.573 6.130 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@](C)(CO)c1cccc(C(F)(F)F)c1 609712795 NZTHRAXFMZKEMA-XOBRGWDASA-N 437.487 5.129 30 20 IKED CC(C)(NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(Cl)c1 610016745 QTCKFRMUMJWJIQ-UHFFFAOYSA-N 433.939 6.042 30 20 IKED Cc1ccc(C(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)cc1NC(=O)c1ccco1 611467099 BJLCCQXVQVFQTD-UHFFFAOYSA-N 438.487 5.372 30 20 IKED CN(Cc1ccc(OC(F)F)cc1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 612805475 IUSOSSZSTVUKKM-RYUDHWBXSA-N 448.354 5.339 30 20 IKED N#C[C@@H](C(=O)c1cc(Br)ccc1OCc1ccccc1)c1nc2ccccc2o1 614439881 VEAZTKOSFVLSMW-SFHVURJKSA-N 447.288 5.659 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)nnc1-c1cccc(C)c1 617941941 DDAYGOCMWQUVSF-IEBWSBKVSA-N 438.622 5.345 30 20 IKED O=C(N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2cccc(F)c2)CCCCC1 619570659 QSEWHBCIBOOSGR-GASCZTMLSA-N 425.388 5.617 30 20 IKED CC(C)(C)c1ccc([C@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)C(F)(F)F)cc1 619728637 FCQAROOPAJORIV-FQEVSTJZSA-N 444.501 5.249 30 20 IKED Cc1nc(C(F)(F)F)ccc1C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 622485314 KLCUOIPVPVBKSV-CYBMUJFWSA-N 430.270 5.461 30 20 IKED C[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1cc(F)c(Cl)cc1Cl 674423012 ORDIFPPUXJJNLX-VDAHYXPESA-N 441.174 5.576 30 20 IKED O=C(Nc1ccc(OC2CCCC2)c(F)c1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674570745 PRQOWPFGZVIYDI-CHWSQXEVSA-N 428.348 5.352 30 20 IKED O=C(Nc1ccc2c(cnn2C(F)F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 676603846 QLPDNCGTDJREOQ-NXEZZACHSA-N 444.326 5.462 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)c1C(F)F 679214981 WAVBJUJSVSUZQR-NSHDSACASA-N 443.338 5.153 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@H](C1CCCC1)C(F)(F)F 681471274 WWKLKNRJHKPVLC-CKYFFXLPSA-N 428.339 5.316 30 20 IKED COc1ccc(C(=O)/C=C\c2c(C)nn(-c3ccc(Cl)cc3)c2Cl)cc1NC(C)=O 726428705 OOPROJIEWMNMRS-KTKRTIGZSA-N 444.318 5.351 30 20 IKED COc1cc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)ccc1OC(C)C 726626477 HESBXZRQXVNWPC-OCKHKDLRSA-N 444.965 5.413 30 20 IKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccc(C(C)C)cc3)o2)cc1C 727267995 DUAARQFMVGAQET-UHFFFAOYSA-N 434.565 5.516 30 20 IKED Cc1sc2ncn(N=Cc3cccc(OC(F)(F)F)c3)c(=O)c2c1-c1ccccc1 727970827 FLZUJYVEKVYTHI-UHFFFAOYSA-N 429.423 5.214 30 20 IKED N#C[C@H](C(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(=O)Nc1cc(Cl)cc(Cl)c1 728766568 CEZIMSLGZNFNGW-CVEARBPZSA-N 429.225 5.377 30 20 IKED COc1ccc(CN(C(=O)c2cc3ccccc3n2CC#N)c2ccc3nc(C)[nH]c3c2)cc1 731992311 JGLNENURJDMOCS-UHFFFAOYSA-N 449.514 5.205 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 732016855 ICFPPHSSVIUZMR-UHFFFAOYSA-N 426.407 5.450 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 732900698 VDYGFKNZLCKUGW-GOSISDBHSA-N 426.806 5.372 30 20 IKED C#CCN(C(=O)N[C@@H](C)c1cc(C)sc1C)[C@H]1CCOc2ccc(Br)cc21 733337843 MXJPALLNSRRVJI-LIRRHRJNSA-N 447.398 5.357 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2nnc([C@H](CC)c3ccccc3)s2)c1 733845649 VEUSMMAOCKUKPO-AZUAARDMSA-N 435.553 5.083 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2nnc([C@@H](CC)c3ccccc3)s2)c1 733845651 VEUSMMAOCKUKPO-ICSRJNTNSA-N 435.553 5.083 30 20 IKED Cc1ncc2c(n1)CCC[C@@H]2NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 734934159 YTSDBTQSNUNHKL-QFIPXVFZSA-N 447.926 5.088 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc(CN3CCOC3=O)cc2)c1 735001095 MCJYDKMDCUZAHL-UHFFFAOYSA-N 447.878 5.208 30 20 IKED N#C[C@H](C(=O)Cc1c[nH]c2ccc(Cl)cc12)C(=O)Nc1ccc(SC(F)F)cc1 740529279 LKBKEJKIKDLNBW-MRXNPFEDSA-N 433.867 5.026 30 20 IKED O=C(/C=C\c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(S(=O)(=O)CC(F)F)cc1 741852385 NGOIKSYLBMZHTM-XFFZJAGNSA-N 436.863 5.535 30 20 IKED COC(=O)C(C)(C)c1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 743198851 KTDDGTMXBQFFGU-UHFFFAOYSA-N 433.533 5.059 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1=S 751933000 RXZAODANMQILDX-FCHUYYIVSA-N 445.592 5.005 30 20 IKED C=CCC[C@H](NC(=O)N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)c1ccccc1 752688309 AEPAOSDEOPEWSX-PJEZACDQSA-N 427.589 5.266 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 754678093 YHPIIDNHDGLAQO-KXBFYZLASA-N 439.544 5.006 30 20 IKED Cc1sc2ncn(N=Cc3ccc(OC(F)F)c(F)c3)c(=O)c2c1-c1ccccc1 754701509 UJPSCHBYEJZXDK-UHFFFAOYSA-N 429.423 5.056 30 20 IKED Cc1ccc(-c2cncc(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)c2)cc1 758090089 OOKAKBALDFNQTL-GOSISDBHSA-N 445.544 5.104 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)Nc1ccc(F)cc1OCC#N 760801254 MYWYIQOXGAJXRG-UHFFFAOYSA-N 447.297 5.019 30 20 IKED C[C@@H](C#N)Oc1ccc(CN[C@H](C)c2nc(-c3ccc(Br)cc3)cs2)cc1 763533428 QWNOFDDTKBBRBJ-LSDHHAIUSA-N 442.382 5.714 30 20 IKED N#C[C@H](C(=O)CCc1cncc2ccccc12)c1nc2cc(C(F)(F)F)ccc2s1 765591532 XAWQTVRCKCRXKY-QGZVFWFLSA-N 425.435 5.672 30 20 IKED COC(=O)c1sc2ncc(C(=O)/C=C/c3cc(OC)c(OC)cc3SC)cc2c1C 770571820 YFVYXDTWYHVDHY-VOTSOKGWSA-N 443.546 5.027 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)cc1 772692589 UVAYTQCHAPANDD-UHFFFAOYSA-N 430.291 5.429 30 20 IKED CN(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1cccc(Br)n1 776379633 FIGFUUBDNPNJIQ-UHFFFAOYSA-N 442.700 5.438 30 20 IKED C=CCc1ccccc1OC(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1 779192572 BFTVMUWFWQSYIJ-UHFFFAOYSA-N 429.516 5.035 30 20 IKED COc1cccc(COc2cccc(NC(=O)Nc3ccccc3O[C@@H](C)C#N)c2C)c1 780611641 UUALPVNNVPUDBC-KRWDZBQOSA-N 431.492 5.518 30 20 IKED COc1ccc(OCc2nc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3Cl)cs2)cc1 782188493 JGCIYYJLSXSNTN-XNWCZRBMSA-N 430.869 5.188 30 20 IKED CC(=O)[C@@H]1C[C@H](CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1(C)C 783070193 UXYCKEZDEDZRFH-KCXAZCMYSA-N 435.376 5.935 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)C[C@@H](C)c1c[nH]c2ccccc12)c1ccc(Cl)cc1Cl 786511876 HHOKIBVIZGJEIU-GLJUWKHASA-N 442.346 5.555 30 20 IKED O=C(OCCOCC(F)(F)C(F)(F)F)c1sc(-c2ccccc2)nc1C(F)F 787760004 OEDPUWQBOAQTFY-UHFFFAOYSA-N 431.329 5.119 30 20 IKED N#CCCn1cc(/C=C\C(=O)c2ccc(SCC(F)(F)F)cc2)c(-c2ccncc2)n1 788355239 MJHPATRYTDNTFI-DAXSKMNVSA-N 442.466 5.409 30 20 IKED CC[C@H](C#N)Oc1cc(CNCc2cc(Br)c(Cl)s2)ccc1OC 790961527 ILHRQKODVMMGLP-GFCCVEGCSA-N 429.767 5.143 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(N3CCCCC3)c3ncccc23)c1 791944897 LXESLSHGQXBMSR-FQEVSTJZSA-N 443.551 5.228 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)[C@H](C#N)c1nccc2ccccc12 792100773 MELBEHRSWDQEEN-GOSISDBHSA-N 435.314 5.585 30 20 IKED Cc1noc(C2CCC(=NNc3c(Br)cccc3Br)CC2)n1 800818949 XJJFVZFKWSWSTA-UHFFFAOYSA-N 428.128 5.029 30 20 IKED C=CCOc1ccc(CNCc2cccc3c2CCCN3C(=O)OC(C)(C)C)cc1OC 808431170 FOMHNDOIYDQIQU-UHFFFAOYSA-N 438.568 5.238 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@H](c2noc(-c3cn(CCCC#N)c4ccccc34)n2)C1 809364973 MZZDBYQTMZICQO-KRWDZBQOSA-N 435.528 5.110 30 20 IKED CC(C)(C(=O)OCC(=O)c1ccc(C#N)cc1)c1csc(-c2c(F)cccc2Cl)n1 811360553 CGZDJQWMCUPPJX-UHFFFAOYSA-N 442.899 5.178 30 20 IKED N#Cc1csc(/C=C2\CCc3nc(-c4ccc(Br)cc4)sc3C2=O)n1 811690181 WOPSSNOLOHNBNJ-YRNVUSSQSA-N 428.336 5.113 30 20 IKED N#Cc1csc(/C=C2/CCc3nc(-c4ccccc4Br)sc3C2=O)n1 811691369 LWQVOTDLBZIJAY-YFHOEESVSA-N 428.336 5.113 30 20 IKED CCOc1ccc([C@H](O)C2CCN(C(=O)c3ccccc3-c3ccccc3C#N)CC2)cc1 812663942 DDFNFAKXZOETJT-MHZLTWQESA-N 440.543 5.210 30 20 IKED Cc1ccc(C(=O)N2/C(=N/Cc3ccccc3)SCC2(C)C)cc1NC(=O)c1ccco1 892188854 PDZZOWIUOHEFAI-LCUIJRPUSA-N 447.560 5.364 30 20 IKED C=CCOc1ccccc1C(=O)O[C@H](C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 913366848 WMCBWWAGKLHWKT-LLVKDONJSA-N 428.699 5.396 30 20 IKED COc1ccc(/C=C\C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1OC 914520786 PTPPJFHIZMQUAC-LCYFTJDESA-N 430.479 5.270 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCN(c4nc5ccccc5o4)CC3)n2)cc1 915100491 SEUQOHUIVWCPFZ-LJQANCHMSA-N 442.544 5.353 30 20 IKED CCN(CC)[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 915353720 WPQQCNYPSZWYNE-CLJLJLNGSA-N 426.564 5.547 30 20 IKED CCc1nnc(S)n1N=Cc1ccc(Oc2cc(C)ccc2C(C)C)c([N+](=O)[O-])c1 916300881 FIBRMTQIYGWIBC-UHFFFAOYSA-N 425.514 5.144 30 20 IKED Cc1cc(-c2nnc(COC(=O)c3ccccc3Sc3ccccc3C#N)o2)c(C)o1 916453893 HBUOMFPQSWXMRA-UHFFFAOYSA-N 431.473 5.326 30 20 IKED O=C(Nc1ccc(N2CCCC2)c(F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 916714589 WYYDTZHTDDZELL-VXGBXAGGSA-N 441.391 5.457 30 20 IKED CCCCCOc1ccc(OC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 916855272 RJBMTVCOUDLIKM-UHFFFAOYSA-N 449.507 5.197 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cn(CC(C)C)c2ccccc12 916898345 BHDCVDXQNHCTSI-KRWDZBQOSA-N 437.927 5.229 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(Br)cc1 916905767 PMCTYDISCWTUCE-GOSISDBHSA-N 435.277 5.203 30 20 IKED N#C[C@H](C(=O)CSCc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1Cl 916928120 ULQHWNHJUVNFGP-CQSZACIVSA-N 427.740 5.228 30 20 IKED N#C[C@H](C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)c1nc2ccccc2n1C(F)F 917041799 WWNBGGYTCZJYGJ-DMTLFAOVSA-N 439.771 5.993 30 20 IKED Cc1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c(Br)c1 917044791 VIPZROUGIZNKMC-STQMWFEESA-N 448.267 5.146 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2cccc3ccccc23)cc1 919904788 SPNXZJJDTDGHGY-NSOVKSMOSA-N 431.539 6.864 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)Cc1csc(-c2ccc(Cl)s2)n1 920103923 IMHKCZOJXQPHBO-CQSZACIVSA-N 439.949 5.449 30 20 IKED CC(C)c1cccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 920806493 MESMJIMFOMMKSY-YOEHRIQHSA-N 426.488 5.855 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)c(Cl)c3)CCC2)cc1 1790563657 HMIRIUAAEXTWCE-QGZVFWFLSA-N 441.959 5.197 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790705217 LITXEQXEZYKZSJ-UHFFFAOYSA-N 427.548 5.269 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc[nH]c4cc3Cl)CCC2)cc1 1791582684 JJSKNCOKXBIEML-UHFFFAOYSA-N 433.939 5.373 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2csc(C)c2C)[C@H]1c1cccnc1 1806050127 GWNUWWIWKHMUQN-RBBKRZOGSA-N 439.625 5.072 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(C)cc2)[nH]n1 1819309744 HSPGKQPKPRHQCU-GMAHTHKFSA-N 434.584 5.111 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)n[nH]1 1823310968 NKSVGFNPCNXGQB-OAHLLOKOSA-N 441.746 5.252 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)CC1 1828155674 JCRRMVYRUQCHOH-DYESRHJHSA-N 442.600 5.486 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3ncoc3c2)CC1 1828294584 CNWLJDOIVWZTDB-JOCHJYFZSA-N 437.584 5.054 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3cc[nH]c23)CC1 1828317814 MFXLSPVTALRGKS-HSZRJFAPSA-N 435.612 5.394 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)CC1 1830189434 XLAQATRKLALDAL-BVAGGSTKSA-N 447.623 5.099 30 20 IKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CC3CCCC3)CC2)c(Cl)c1 1830720503 PPFKRMACSBJTFB-QHCPKHFHSA-N 442.003 5.025 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccsc3[nH]2)CC1 1830882856 KNVOIVCPXKHVHD-JOCHJYFZSA-N 439.625 5.231 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1 1831370373 RPIPXXUCTLHXPI-GHOZHQTGSA-N 442.566 5.187 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)ccc2F)CC1 1832594383 HGWUWQBGEIQYQA-HSZRJFAPSA-N 444.591 5.060 30 20 IKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cc3cccc(F)c3)cc2)CC1 1832734443 USAYPGLQPAXLOE-AREMUKBSSA-N 448.582 5.226 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)ccc1OCC(=O)Nc1ccccc1 21937073 GXQPXZUQWWGYRL-FMIVXFBMSA-N 449.478 5.147 30 20 IKED C[C@@H]1CN(Cc2csc(/N=C(\O)c3sc4cc(F)ccc4c3Cl)n2)C[C@@H](C)O1 22300643 FOHCECWTKCLICR-GHMZBOCLSA-N 439.965 5.396 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc(C)cc2C)cc1 23603694 QPESHKQJDKMDMJ-UHFFFAOYSA-O 448.656 6.490 30 20 IKED N#Cc1ccc(CCC(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 25349709 NEVFFHRGOIJYHR-QFIPXVFZSA-N 427.935 5.574 30 20 IKED Cc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c2cnn(C(C)C)c2n1 46893472 MFLSBFALZIWPBE-OAQYLSRUSA-N 443.938 5.882 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)c1cccc(N2CCOC2=O)c1 60203600 NKWQCZJMOVKUIY-ZHACJKMWSA-N 435.911 5.054 30 20 IKED CCOC(=O)c1sc(NC(=O)c2ccc(COc3ccc(C)cc3C)o2)c(C#N)c1C 64680379 LKHZDYPHJJNNGN-UHFFFAOYSA-N 438.505 5.146 30 20 IKED Cc1nn(Cc2ccccc2)c(C)c1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 64714970 JIXWWJOPCQOREL-QGZVFWFLSA-N 448.498 5.440 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1 409544107 PSYUVYYMLMAMLN-LADGPHEKSA-N 444.506 5.360 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C)c1cc(Cl)ccc1Cl 426838487 STBZFXBJBPOXBX-CHWSQXEVSA-N 436.364 5.061 30 20 IKED COC(=O)c1cc([C@@H](C)SCC(=O)Nc2ccccc2S[C@H](C)CC#N)oc1C 431076813 GZXPHEXCOPTSBL-UKRRQHHQSA-N 432.567 5.202 30 20 IKED N#CCCSc1ccccc1NC(=O)CCSc1ccnc2cc(Cl)ccc12 434016926 KPDPIAQXMQSXEP-UHFFFAOYSA-N 427.982 6.015 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccccc1 435729594 DOQRWRZIHPNSCW-LJQANCHMSA-N 445.485 5.068 30 20 IKED C=CCn1c(S[C@H](Cc2ccc(F)c(F)c2F)C(C)=O)nnc1-c1ccccc1C 436188923 WCAUEKUCYKQVFQ-GOSISDBHSA-N 431.483 5.149 30 20 IKED N#Cc1cccc(C#N)c1N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 436319674 FNETWXSFMZWPAS-KRWDZBQOSA-N 425.332 5.045 30 20 IKED CC(C)COc1ccc(NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1Cl 437425483 HFWROBCDGOOOGU-HNNXBMFYSA-N 445.972 5.204 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2nc(C(F)(F)F)cs2)cc1F 438675061 YREMSMGWGUAZTK-UHFFFAOYSA-N 436.390 5.287 30 20 IKED COC(=O)c1ccccc1C(=O)c1ccc(N[C@H](CCC#N)c2ccccc2)c([N+](=O)[O-])c1 439117297 SBRFOFZZSOUQQN-OAQYLSRUSA-N 443.459 5.069 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(F)(c2cccc(Cl)c2)CC1 439504023 UAGDGFIBPWZLRN-INIZCTEOSA-N 431.964 6.084 30 20 IKED C[C@@H](Sc1ccccc1)c1ccc(NCC(=O)Nc2ccccc2SCC#N)cc1 439546142 FPKDABFMIYNERY-GOSISDBHSA-N 433.602 6.206 30 20 IKED CCCc1c(NC(=O)[C@H](C)CC(=O)c2ccc(Cl)cc2)cnn1-c1cccc(C#N)c1 440087535 JWKUMFKQMBLQKF-MRXNPFEDSA-N 434.927 5.197 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OCc4ccccn4)cc3)n2)cc1 442873095 KPAIHXFTNWZUJC-JOCHJYFZSA-N 436.496 5.146 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3ccc(Sc4nncs4)c(Cl)c3)on2)c1 447466421 AAAKYTNUSUSCPE-UHFFFAOYSA-N 439.909 5.122 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2c[nH]cc2-c2ccc3c(c2)OCCO3)cc1 460971232 SRJIZLZLGSITHR-UHFFFAOYSA-N 437.455 5.369 30 20 IKED Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)cs1 464404813 NEWYDLKTGJFLPX-SFHVURJKSA-N 427.932 5.570 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3cc(-c4cnn(C)c4)no3)n2)o1 469086694 WUWIDXQREDGTHC-UHFFFAOYSA-N 445.426 5.221 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(Cl)cc1Br 471231348 GJUWAYWYBCNUBH-UHFFFAOYSA-N 442.700 5.722 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F 473762703 GYUVPFJNZGSWMX-UHFFFAOYSA-N 427.430 5.205 30 20 IKED N#CC[C@@H](CC(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccccc1 474905253 JJQCQPZEQHZFKX-XUZZJYLKSA-N 426.495 5.120 30 20 IKED C=CCn1c(SCc2ccnc(C)n2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 475958978 PNHZLBIIIGHNGA-UHFFFAOYSA-N 438.553 5.149 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 476076920 BYVKYBKJXDXXLS-UHFFFAOYSA-N 448.588 5.616 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 476120050 BFRBGMHFABFIHF-UHFFFAOYSA-N 433.573 5.765 30 20 IKED CCOc1cc(Br)ccc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 479303124 PRGKKUUJICSESR-PKOBYXMFSA-N 428.330 5.151 30 20 IKED C[C@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@@H](c2ccco2)C1 480280200 CUHZHFWIBZGPJM-HTAPYJJXSA-N 428.492 5.409 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(-c3cncnc3)cc2F)cc1 481529687 ONJWZWJYWLJATC-UHFFFAOYSA-N 440.453 5.136 30 20 IKED C[C@@H](c1c(F)cccc1F)N(C)C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482457993 UGYZMOYYDHGURV-QFYYESIMSA-N 438.343 5.572 30 20 IKED Cc1nc(COc2cccc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)c2)cs1 487354752 OBGYLYXLNUOFBF-UHFFFAOYSA-N 446.557 5.202 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCC(=O)c1cc(C)c(F)cc1Cl 489690643 MFZHOPWPGXAJFR-UHFFFAOYSA-N 431.920 5.119 30 20 IKED N#C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1c(Cl)cccc1Cl 499846617 KDAYLXGAYBTGGK-LBPRGKRZSA-N 442.780 5.755 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3SCCC#N)s2)c(F)c1 503294367 AATHIQKMBIXAHW-UHFFFAOYSA-N 427.526 5.524 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 509609661 SFIGBKBWQNNMGF-UHFFFAOYSA-N 429.480 5.183 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)CSc1nc(C)c(C)c(C)c1C#N 509618140 MPURUAWQEQWUIS-INIZCTEOSA-N 436.606 5.280 30 20 IKED CCN(C[C@@H](C)C#N)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 509981716 IPQRTLMQZOQRMB-JIHKLPAASA-N 434.521 5.143 30 20 IKED C[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(F)c(Cl)c1 510642958 DNUHDYRTZIMWSS-AWEZNQCLSA-N 436.874 5.486 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 513533264 QHTYGQPUQQZKSR-NRFANRHFSA-N 428.454 5.332 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)s2)cc1 515540489 XFNOKTQLMXTDCO-OAHLLOKOSA-N 439.949 5.880 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCCc3nc(-c4ccc(F)cc4)no3)cc2)cc1 520609401 QEGMNELAWJETFP-UHFFFAOYSA-N 442.450 5.501 30 20 IKED N#Cc1cccc(OCCCCC(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)c1 521077079 XIINIHVXBFZXIC-NDEPHWFRSA-N 440.543 5.338 30 20 IKED C=CCN(CCc1ccccc1)C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 521542881 MGKBRLAXXJPHKH-UHFFFAOYSA-N 429.545 5.239 30 20 IKED C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 522035932 GWLUYHZWVNHXQX-LJQANCHMSA-N 447.564 5.100 30 20 IKED CC[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(C)cc1 522501252 USQQMDVCKJWSNQ-LADGPHEKSA-N 445.950 5.510 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1 523403064 OWDMTEXMNYUHQZ-IBGZPJMESA-N 446.453 5.364 30 20 IKED CCCN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@H](C)c1ccccc1Br 523423807 LSAZGUBPGJJYLN-MRXNPFEDSA-N 428.374 6.255 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cccc(COc3cccc(F)c3)c2)c1C 524146952 IZQQIHJNJVJOKV-UHFFFAOYSA-N 440.478 5.331 30 20 IKED C[C@H]1CCC[C@H](OCc2cccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c2)C1 524656814 UOARMEGHMFUDOX-CPJSRVTESA-N 447.579 5.729 30 20 IKED Cc1ccc(C#N)cc1NC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 530604185 DSQGLYYWYUZVSH-UHFFFAOYSA-N 425.492 5.101 30 20 IKED COc1ccc(Cc2nc(C)c([C@@H](C)N[C@@H](CCC#N)c3ccccc3)s2)cc1OC 536837802 HQXXFQOLAUPJTP-UTKZUKDTSA-N 435.593 5.755 30 20 IKED COc1ccc(CN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H]2CCCC[C@H]2C)cc1OC 537855113 QHBGSPYETGTEHC-XMSQKQJNSA-N 446.551 5.206 30 20 IKED COc1ccccc1Oc1ccc(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1F 548790935 GTQVADZPQFQPNN-UHFFFAOYSA-N 446.482 5.111 30 20 IKED Cc1cccc(C)c1Oc1ccccc1NC(=O)N1CCC(C#N)(c2ccccn2)CC1 548858476 BVDKHLPTXJJSSB-UHFFFAOYSA-N 426.520 5.580 30 20 IKED C=C(C)Cn1c(-c2cn(-c3ccccc3)nc2-c2ccccc2)nnc1N1CCC(C#N)CC1 549327744 SKMBXBDHICJQII-UHFFFAOYSA-N 449.562 5.114 30 20 IKED COC(=O)COc1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)c2ccccc12 551590895 AHNTYODWLIKLSL-UHFFFAOYSA-N 430.485 5.039 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1N1C(=O)N[C@H](c2ccc(OC(F)F)cc2)C1=O 552787675 UFYRVSCGSYDARC-OAQYLSRUSA-N 449.413 5.058 30 20 IKED CC(C)c1ccc(OC2CCN(C(=O)c3cnn(CCC#N)c3-c3ccccc3)CC2)cc1 559237645 FBXUHMSOXDHLLX-UHFFFAOYSA-N 442.563 5.271 30 20 IKED N#Cc1cccc(C2(NC(=O)CSc3ncnc4scc(-c5ccccc5)c34)CC2)c1 560843780 REHPDYDWGGTKQS-UHFFFAOYSA-N 442.569 5.128 30 20 IKED Cc1ccc(C#N)cc1NC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1cccs1 576844821 OHBZBKNMGDICTB-UHFFFAOYSA-N 427.533 5.445 30 20 IKED O=S(=O)(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)F)cc1 578216037 WTSTYMSBGAJELX-AWEZNQCLSA-N 447.347 5.615 30 20 IKED N#C[C@H](C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1nc2cc(F)ccc2s1 592973365 FACWEIWISMMYKF-GOSISDBHSA-N 439.475 5.173 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C 603527957 PNTLKZUMNNQSJI-UHFFFAOYSA-N 426.442 5.124 30 20 IKED CC(C)CN(C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1)c1ccc(C#N)cc1 603726421 HQLAKTYCOBYMTL-UHFFFAOYSA-N 442.544 5.543 30 20 IKED CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)c1cccc(CC#N)c1 603732736 VCKCJHKQMPTUKO-UHFFFAOYSA-N 440.934 5.531 30 20 IKED C=CCN(CCc1ccccc1)C(=O)c1ccc(NC(=O)CSc2cccs2)cc1 604941464 SXOOFFLXAGVAMZ-UHFFFAOYSA-N 436.602 5.350 30 20 IKED C[C@H](CC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F 607464597 XEYXWKKCNPBYLR-IJLUTSLNSA-N 449.357 6.225 30 20 IKED CC[C@H](C)[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1nc2ccccc2[nH]1 609500860 JFRHNGKYKXCGON-QMHKHESXSA-N 425.492 5.139 30 20 IKED N#Cc1ccc(C(=O)N(Cc2ccc(F)cc2)c2nc(-c3ccccc3Cl)cs2)cn1 609641093 QLLOOVIVJKXAKO-UHFFFAOYSA-N 448.910 5.716 30 20 IKED COc1ccc([C@H]2CCN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)C2)cc1 609724293 HPWHYFIWUKMVOA-IBGZPJMESA-N 432.907 5.642 30 20 IKED CC(=O)Nc1ccccc1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 610320940 NOVQCVASOPMVOV-NRFANRHFSA-N 432.911 5.276 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC3(CC2)OCc2ccccc23)cc1 610742056 YOUNVRMFJCKYFT-UHFFFAOYSA-N 426.541 5.371 30 20 IKED CC(C)c1oc([C@H]2CCCN2C[C@H](O)COc2ccc(CC#N)cc2)nc1-c1ccccc1 610989545 IQLZRHZEHKFKKF-LADGPHEKSA-N 445.563 5.108 30 20 IKED CC(C)N1CC[C@@H](NC(=O)c2c(Cl)cc(C#N)cc2Cl)[C@H]1c1ccc(F)c(F)c1 611519587 QKBJKVZUPWYDAM-UYAOXDASSA-N 438.305 5.097 30 20 IKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 613290796 LRLHOBBNMXLQCH-QHCPKHFHSA-N 447.494 6.062 30 20 IKED C=CCn1c(SCC(=O)N(CC)[C@H](C)c2ccc(F)cc2)nnc1-c1ccc(F)cc1 613937138 GLIFOGCQDCEIQQ-MRXNPFEDSA-N 442.535 5.111 30 20 IKED COc1ccc(Cc2nc(C)c([C@@H](C)NCc3ccc(C#N)c(Cl)c3)s2)cc1OC 619755545 KOTDCPWMEYJXFN-CQSZACIVSA-N 441.984 5.435 30 20 IKED CC1(C)CN(C(=O)c2c(F)c(F)cc(F)c2F)C[C@H](c2cccc(C(F)(F)F)c2)O1 622618001 UUSIRIFXGZHUOU-CQSZACIVSA-N 435.339 5.254 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccc(Br)cc2)nc1)c1ccc2ccccc2n1 678322106 FHRACWWGONUFMO-IBGZPJMESA-N 444.288 5.675 30 20 IKED C[C@@H](NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2)C(F)(F)F 685240649 RNVVNZUVABAFCB-SDNPDTISSA-N 425.335 5.176 30 20 IKED CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OC(C)C)cc1 726414398 APHJSFRJHAAQEW-NRFANRHFSA-N 439.581 5.071 30 20 IKED N#CCCNC(=O)COC(=O)c1sc2ccccc2c1CSc1ccccc1Cl 726692554 ZDOUZZODJDIVFN-UHFFFAOYSA-N 444.965 5.034 30 20 IKED N#CCCCOc1cccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1 726801796 NGCSNBOBQHBZON-PDGQHHTCSA-N 448.491 5.794 30 20 IKED N#C[C@@H](C(=O)[C@@H](OC1CCCC1)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 727039333 WKOYOTFYFFBUIJ-UWJYYQICSA-N 444.478 6.192 30 20 IKED N#Cc1ccc(NC(=S)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1Cl 727289070 PLPYCZBIFHFWNV-IBGZPJMESA-N 445.375 5.010 30 20 IKED N#C[C@H]1C(CN2CCC[C@@H]2c2ccccc2C(F)(F)F)=CC(=O)n2c1nc1ccccc12 728061726 YXPNJQSOJCFPIO-FXAWDEMLSA-N 436.437 5.080 30 20 IKED O=C1/C(=C\c2ccc(Cl)s2)CN(c2cnccn2)C/C1=C\c1ccc(Cl)s1 730433303 FEXBOTHPKXXXGU-HAKHBUOSSA-N 434.373 5.463 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)/C=C/c1cccc(Br)c1 731340784 RGYNJKIQTJYXMI-WONIAPNHSA-N 437.384 5.256 30 20 IKED Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c(Cl)c1 732398986 HLCGQKCSWVZRIZ-INIZCTEOSA-N 449.894 5.200 30 20 IKED CCC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccc(OC(F)F)cc1 733079705 JBLRHTUSUHSNJM-UHFFFAOYSA-N 437.372 5.385 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2cccs2)Cc2cccs2)c1 733808219 YPIIXGGHWOQGHO-SFHVURJKSA-N 425.579 5.403 30 20 IKED COc1ccccc1-c1ccc(C(=O)/C=C\c2cc3cnn(C(C)C)c3nc2Cl)cc1 741468623 GBZIMQUPXFWGEM-SEYXRHQNSA-N 431.923 6.237 30 20 IKED N#Cc1ccccc1N1CCC(NC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)CC1 742193331 GJGJFJHNHZZYDG-RTWAWAEBSA-N 442.588 5.003 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)N[C@H](C)c1cc2ccccc2o1 743475676 WNTDXGSOMBBUEI-MOPGFXCFSA-N 439.515 5.561 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C[C@@H](C)c1ccccc1C(F)(F)F 744029733 UOZABUZTQBRJFR-DNVCBOLYSA-N 430.470 5.671 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccc(-c2ccncc2)cc1 745205241 SXBWMFYMQPPSKQ-UHFFFAOYSA-N 434.425 5.456 30 20 IKED N#C[C@@H](C(=O)CN(Cc1ccc(F)cc1F)C1CCCC1)c1nc2ccccc2s1 746153651 TWMCAJVCRSQGEK-SFHVURJKSA-N 425.504 5.196 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2nc(-c3ccncc3)no2)c(C)c1 750947817 CUIHVGUBQCWLNP-UHFFFAOYSA-N 435.491 5.047 30 20 IKED CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 751543858 SOMMCSZQHRPNMO-FTJBHMTQSA-N 445.538 5.705 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCc3c(ccc(Cl)c3Cl)C2)cc1C#N 752304121 FYWVDWPHRNDFPX-UHFFFAOYSA-N 433.295 5.024 30 20 IKED CC(C)(C)OC(=O)NCC(C)(C)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 757306571 RVQAULWPXCVSQT-GFCCVEGCSA-N 441.475 5.042 30 20 IKED CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 765589686 FQYVWTOHXPPKAB-BBRMVZONSA-N 447.438 5.668 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(OC(=O)C(C)(C)Oc2ccc(C#N)cc2)cc1 766383179 VKBVACNPLGUGQC-UHFFFAOYSA-N 448.906 5.251 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@H]2CCCc2ccccc2)ccc1OC 769108325 HQWFTYNJPHSFNE-PKTZIBPZSA-N 435.568 5.073 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCCC[C@H]2c2ccc(F)cc2F)ccc1OC 770395078 NOGVNZLMUCGSPJ-NQIIRXRSSA-N 443.494 5.091 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 770839516 PBECGCKOQOHDLV-BXKMTCNYSA-N 428.532 5.424 30 20 IKED Cc1cccc([C@H]2NC(=O)N(c3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2=O)c1C 771821443 ZKNYZKBBIIPRRP-JTHBVZDNSA-N 429.907 5.410 30 20 IKED Cc1ccccc1-c1nc(C)c(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)s1 773980266 PSJSINADRVWEAY-HNNXBMFYSA-N 444.343 5.695 30 20 IKED N#C[C@H]1CSCCN1Cn1nc(SCc2cccc3ccccc23)sc1=S 774644592 UQQZXYGSRCCYDF-INIZCTEOSA-N 430.649 5.018 30 20 IKED CC(=O)N1C/C(=C/c2cccc(NC(=O)c3ccccc3Cl)c2)C(=O)c2ccccc2C1 778520374 VJMMEBVRIIBIRN-MOSHPQCFSA-N 444.918 5.221 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCCC(=O)c3ccc(F)cc3)n2)cc1 778613768 IKHJZRKGRBKAJN-FQEVSTJZSA-N 431.492 5.440 30 20 IKED CC(C)(C)n1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c(Br)n1 780312307 JWUJYXPPUNPDJM-ZDUSSCGKSA-N 429.343 5.014 30 20 IKED CNC(=O)C[C@@H]1SC(=Nc2ccsc2)N([C@H](c2ccc(Cl)cc2)C2CCC2)C1=O 790744778 AHKBIWNJWFTBFX-HKUYNNGSSA-N 448.013 5.011 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)OCc3cccc(SCc4ccccc4)c3)CC2)o1 805551717 OTXKBHFJMUOJLS-UHFFFAOYSA-N 447.560 5.107 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CCN(c2ccccc2F)C1)c1nc2cc(C(F)(F)F)ccc2s1 810537476 UPBLRBZGPKRFLP-OCCSQVGLSA-N 433.430 5.157 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)c1 813641700 JQVZCAULMFVVIO-GHTZIAJQSA-N 429.973 5.097 30 20 IKED CCOC(=O)c1ccc(C#N)c(SCc2cc3ccc(SC)cc3nc2Cl)n1 818134262 BGRSGLQLPJZLSQ-UHFFFAOYSA-N 429.954 5.346 30 20 IKED CC(=NOCc1ccc(C(=O)Nc2ccccc2)cc1)c1nc2ccccc2n1C(F)F 836976865 HGAUEJFRBHQGQJ-UHFFFAOYSA-N 434.446 5.625 30 20 IKED Cc1ccc(C(=O)N(O)Cc2cc(Cl)cc(Cl)c2)cc1NC(=O)c1ccccc1 901379628 ACPCTKHTOYJHKK-UHFFFAOYSA-N 429.303 5.586 30 20 IKED CCOC(=O)Nc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916904581 GMULOWYQXAQVIS-FQEVSTJZSA-N 443.459 5.008 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(NC(=O)C3CCCCC3)c2)cc1 916950644 VIJLAHQOVUVPEI-UUOWRZLLSA-N 445.563 5.680 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4ccccc4Cl)n3)n2)cc1 916971640 CPQDUSFVUYOZKM-GOSISDBHSA-N 449.988 6.314 30 20 IKED Cc1nn(CC(C)C)c(C)c1CCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916977456 RAZKLKOJWVZYOX-FQEVSTJZSA-N 441.000 5.742 30 20 IKED N#C[C@@H](C(=O)c1c(Cl)nc2ccccn12)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996657 NIHRBCAHAIZPGV-LBPRGKRZSA-N 447.734 5.908 30 20 IKED N#C[C@H](C(=O)[C@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1)c1ccc2ccccc2n1 920106017 ITQOJXKSGXWZDN-LRGMNKBESA-N 443.934 5.159 30 20 IKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@@H]4c4ccccc4)CCC3)cc2)cc1 1785882554 JPHWWVHEAMAJIN-FTJBHMTQSA-N 449.554 5.039 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccc4c[nH]nc34)cc2)CCC1 1788453499 JXNUGDVVYRIMSM-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3csc(C(F)(F)F)n3)cc2)CCC1 1789881542 IIBDZASVGCWINI-CYBMUJFWSA-N 437.487 5.122 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1791300801 CSIJXLCGVMARRV-QGZVFWFLSA-N 437.490 5.273 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(OCC4CC4)cc3)cc2)CCC1 1792159331 PPUFLZQLBRJEMO-UHFFFAOYSA-N 430.548 5.027 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3c[nH]c4cc(C)ccc34)CCC2)cc1 1792266209 ACDMFKRTAMWAGI-RIYZIHGNSA-N 425.532 5.037 30 20 IKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OC(C)C)c(Cl)c1)C2 1793052022 QUKVTFMWLRKBJH-WKCHPHFGSA-N 445.003 5.147 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)Cc3cccc4ncccc34)CC2)C1 1804859564 AEWWVUFDZPONSG-UHFFFAOYSA-N 447.623 5.001 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)Cc3cc(F)ccc3Cl)CC2)C1 1805452077 OJOUJGXTKXMFHO-UHFFFAOYSA-N 446.994 5.021 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccccc3o2)[nH]n1 1814828755 FSXGXYAACFDCHO-HXUWFJFHSA-N 432.524 5.230 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(C)ccc23)[nH]n1 1821927922 RIRZQXJGBQXWQI-HAOAUZPGSA-N 445.567 5.117 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCCCC2(F)F)CC1 1824648359 WFIYHRQDZJFYQP-VSKRKVRLSA-N 436.587 5.200 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)nc2F)CC1 1825374885 PEKJBEKPQIDJJB-IBGZPJMESA-N 449.998 5.100 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](F)c2ccccc2)CC1 1828821272 IUDOVOGBMBEPAA-WXFUMESZSA-N 426.576 5.085 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)cc2F)CC1 1830466127 GHCSUKMDSZRZFQ-DEOSSOPVSA-N 426.576 5.136 30 20 IKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2-c2ccc(C)cc2)CC1 1830676441 UCXSGGCNBWPMDS-SANMLTNESA-N 430.592 5.471 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)cccc2Cl)CC1 1831447177 PCQATTHECQKJDL-LJQANCHMSA-N 438.946 5.093 30 20 IKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Cc3cccc(F)c3)c2)CC1 1832747861 GYVTWPVEBNZDTL-AREMUKBSSA-N 448.582 5.226 30 20 IKED C=CCOc1ccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1OC 10236006 PUDLAKFMKWJTKR-UHFFFAOYSA-N 442.968 5.543 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(\S)Nc2ccc(F)c(Cl)c2)c1 10760272 KMLBCTQRDDOOBW-UHFFFAOYSA-O 430.956 5.081 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)c(F)c1)=C(/S)Nc1ccc(Cl)cc1 10832129 VIYFPXBMTVXJNB-UHFFFAOYSA-O 431.915 5.519 30 20 IKED C[C@@H](OC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)C(=O)Nc1ccccc1C#N 21458351 MJSXLLRHLXKKTJ-MRXNPFEDSA-N 439.446 5.097 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccc(C(C)(C)C)cc2)c1 22732387 VCBLCHJMWNWHTB-UHFFFAOYSA-O 437.654 6.255 30 20 IKED Cc1c(C#N)c(SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)nc2c1CCC2 25072406 FUPUPVDVXWMGLD-UHFFFAOYSA-N 430.558 5.008 30 20 IKED C=C(C)COc1cc(/C=C(/Cl)c2nc(O)c3cc(OC)c(OC)cc3n2)ccc1OC 60822112 NNTYZRUYINZZSP-LZYBPNLTSA-N 442.899 5.053 30 20 IKED N#Cc1c(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)sc2c1CCCC2 61432194 JJMQDPIEXZIHNR-UHFFFAOYSA-N 425.513 6.073 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(COCc2ccccc2)cc1 63401779 KJYAQUKZCZTRII-UHFFFAOYSA-N 425.532 5.173 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 72086231 IOTAVCMDCVKYTP-UHFFFAOYSA-N 441.409 5.828 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(N3CCC(O)CC3)cc2)ccc1OCc1ccccc1 209880468 ATCYOJZMMXBYMQ-QPEQYQDCSA-N 443.543 5.131 30 20 IKED C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@H]1C(=O)Nc1cccc(OCCCC#N)c1 303443984 IHPITWQMZHHJOC-FOVJLYNBSA-N 445.563 5.092 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Oc2ccnc3ccccc23)cc1 303498727 BJDPYXPTFJSXKB-UHFFFAOYSA-N 439.519 5.325 30 20 IKED C[C@@H](Oc1ccc(F)cc1Br)C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 303594014 PHKKZZACGJWGQX-YMTOWFKASA-N 446.103 5.043 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCc1nc2cccc(C)c2[nH]1 426265879 IYJBZJYSRIMREQ-UHFFFAOYSA-N 426.495 5.357 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(c3ncccc3Cl)CC2)cc1 428422411 LHISMOMCKWFXMJ-UHFFFAOYSA-N 433.964 5.778 30 20 IKED COc1ccccc1CSc1ccccc1NCC(=O)N(CCC#N)c1ccccc1 431205653 AYUDOCJRPDQYHK-UHFFFAOYSA-N 431.561 5.346 30 20 IKED Cc1c(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)sc2ccc(C#N)cc12 431841226 QJAAOJWWXBUYGL-UHFFFAOYSA-N 435.936 5.896 30 20 IKED CC(C)[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nc(C2CC2)no1 438660506 LULICMBWLZVINB-FQEVSTJZSA-N 435.459 5.269 30 20 IKED N#CCC[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1)c1ccccc1 439454527 RTOJZTAVTMSBBU-NRFANRHFSA-N 435.886 5.246 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)ccc21 443884038 LXZTWVOLSQBFCT-UHFFFAOYSA-N 440.347 5.779 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)N(CC(F)F)CC1CCC1 444026269 WHTOMYPUXLFQJO-CQSZACIVSA-N 432.355 5.776 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cc(Cl)cc(Br)c2F)cc1 444096305 OPGRHYMVOVIDPU-UHFFFAOYSA-N 425.685 5.201 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)c1C#N 445557287 KRABKIJMYHWOPT-IRXDYDNUSA-N 442.466 5.227 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N(C)[C@H](C)c1cnn(C)c1 460564358 MFCDSPHLGBCKJY-RTBURBONSA-N 430.556 5.078 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)N[C@@H](c3c(Cl)cccc3Cl)C3CC3)CCO2)c1 462039637 JEPONVGUBIFFTE-PZJWPPBQSA-N 430.335 5.099 30 20 IKED COc1ccccc1[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1Cl 462247716 OLWDERDPZUSPHE-QHCPKHFHSA-N 440.330 5.191 30 20 IKED CCCc1c(NC(=O)[C@@H](C)c2cccc(Br)c2)cnn1-c1cccc(C#N)c1 462340030 WSCLPHXEWDEQBP-HNNXBMFYSA-N 437.341 5.201 30 20 IKED Cc1c(F)cccc1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 465276692 UBHXYKMUEZAOLA-UHFFFAOYSA-N 431.311 5.610 30 20 IKED COc1ccc(C2CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)cc1 465391308 HAEKLNYKDJILEU-UHFFFAOYSA-N 442.584 5.879 30 20 IKED CC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1c(C)nn(C)c1C 466292019 YWIMPUPTYAVUCM-IRLDBZIGSA-N 435.959 5.619 30 20 IKED COc1ccc(-c2cncc(C(=O)[C@@H](C#N)c3nc(-c4ccc(OC)cc4)cs3)c2)cc1 467071666 JLJKPJRPIKZPKI-JOCHJYFZSA-N 441.512 5.379 30 20 IKED CN(CCC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 467917930 JAMVABVVFSFMTK-IBGZPJMESA-N 427.932 5.191 30 20 IKED O=C(c1cc(F)ccc1F)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469762322 CUMOEYMNZLQGMS-MRXNPFEDSA-N 439.302 5.216 30 20 IKED Cc1cc2occ(CC(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)c2cc1C(C)C 469954949 ZSLCPYCFRKNKHQ-UHFFFAOYSA-N 443.547 5.629 30 20 IKED Cc1cc(C(=O)N[C@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)c(C(F)(F)F)o1 472006623 IDZSBZIAXCCUDI-LLVKDONJSA-N 435.242 5.539 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cc1 473303019 PAMIYJKOSUESGQ-DEOSSOPVSA-N 441.600 5.102 30 20 IKED COc1ccc(CCC(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1F 474261471 ZZXSGMBNYMFTMB-INIZCTEOSA-N 437.355 5.596 30 20 IKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc(C(C)(C)C#N)cc1)CC2 474417878 ZBSUKKYWKQFZPV-XMMPIXPASA-N 446.572 5.354 30 20 IKED CCc1onc(-c2ccccc2)c1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 475014031 GDSQJNNVNHQWPK-UHFFFAOYSA-N 436.471 5.280 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(Br)cc1C(F)(F)F 476144478 JFERZQLFDLQZKS-UHFFFAOYSA-N 426.276 6.572 30 20 IKED CCN(C(=O)Nc1cc(C)n(CCC#N)n1)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 480919406 GLBJIFSCTCWNHH-IBGZPJMESA-N 431.540 5.396 30 20 IKED COc1ccccc1-c1csc(C2CCN(Cc3cccc(OCCCC#N)c3)CC2)n1 483515828 XHNSPIKCPPXJBU-UHFFFAOYSA-N 447.604 5.881 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)N(CCC#N)Cc1ccco1 494181834 FTHCYOBRFKNEHP-UHFFFAOYSA-N 431.471 5.229 30 20 IKED Cc1cccc([C@H](NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c2ccccn2)c1 499010540 PRACAEBKDWPKRO-NRFANRHFSA-N 440.425 5.114 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CCC)CC(C)C)c1 499673576 XUFUFGJXXDJPMM-UHFFFAOYSA-N 449.016 5.230 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)c1 505544576 FPXZEEBOCZOVTA-UHFFFAOYSA-N 444.384 5.470 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1c(F)cccc1F)C(F)(F)F 506317374 YPFGNDPTXBKQGB-BUXKBTBVSA-N 443.441 5.048 30 20 IKED C[C@H](NC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1ccc(C#N)cc1 507326943 AYKCBKVFGLLIEF-FQEVSTJZSA-N 435.531 5.030 30 20 IKED C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC2(CC1)OCCc1ccsc12 508811738 IPNBHEKSDPVMQN-NRFANRHFSA-N 434.609 5.136 30 20 IKED CCN(CC#N)C(=O)c1cc(/C=C/c2cccs2)nc2ccc(Br)cc12 509217519 KYDNLZSSNDPFJL-VOTSOKGWSA-N 426.339 5.215 30 20 IKED CSc1cc2c(cc1NC(=O)c1ccccc1Sc1ccccc1C#N)OCCO2 509299093 AZBNXGWLZKVBGN-UHFFFAOYSA-N 434.542 5.455 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)c2)cc1 509903606 CPWUWILPQGKRDM-RUZDIDTESA-N 445.494 5.076 30 20 IKED CCOc1cc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1OC 511864585 RVLZUTBBQCNBIZ-UHFFFAOYSA-N 432.545 5.188 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1OC(C)C 513274482 UJFKRXJFOPUEDO-AWEZNQCLSA-N 428.460 5.374 30 20 IKED N#CCCCOc1cccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 516008285 GUJIAHKZLPDEJK-UHFFFAOYSA-N 430.464 5.142 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 517473817 VCULDESLXYWPBW-FXAWDEMLSA-N 427.545 5.291 30 20 IKED N#Cc1c(NC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)sc2c1CCCC2 518198572 SDWUOCHOUMSRDH-UHFFFAOYSA-N 449.536 5.199 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CC=C(c2cccc3ccccc23)CC1 518682209 WFYMPPKZMPQRFX-LJQANCHMSA-N 427.573 6.413 30 20 IKED COc1ccc(Cn2c(S[C@H](C#N)C3CCCCC3)nc3ccccc3c2=O)cc1OC 523714687 OGFMPIGOXCBMKB-HSZRJFAPSA-N 449.576 5.027 30 20 IKED CCC(C)(C)NC(=O)[C@H](C)SCc1ccc(OCc2cccc(C#N)c2)c(OC)c1 523939034 SIKSKRUQMQKJAX-KRWDZBQOSA-N 426.582 5.072 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCCN1Cc1ccccc1 524139599 PIHKIAIIBLXURP-SANMLTNESA-N 425.532 5.049 30 20 IKED CCOC(=O)CCc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 524144690 FBVWFQITVLFEOL-UHFFFAOYSA-N 444.556 5.599 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 524192779 YSBRJBGDKVNKPD-HKBQPEDESA-N 436.552 5.495 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 525628193 YCDBFYFTDCWFCE-UHFFFAOYSA-N 441.318 5.500 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1ccccc1)c1ccc(F)cc1 532701943 DIKUEHGEMBDPAI-CJAUYULYSA-N 433.552 5.538 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1ccccc1F)C1CCCC1 537123440 SLRXEDCVYZHJBQ-XDHUDOTRSA-N 425.573 5.680 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 538345091 JKEUYRLJNURCGJ-OFNKIYASSA-N 436.483 5.248 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)c2)cc1 539453839 QLCDWBROFWZWBC-PKTZIBPZSA-N 435.430 5.280 30 20 IKED COc1cccc2c1CCN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)cc1C)C2 541093356 NQOXKRGFXYABOO-UHFFFAOYSA-N 427.504 5.045 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)[C@H](Sc1ccccc1F)c1ccccc1 542289119 SDUCFJWNNCJMNX-HSZRJFAPSA-N 436.508 5.195 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCO[C@H](C3CCCCC3)C2)cc1 542633488 CNZXCRLJEAIQLO-VWLOTQADSA-N 433.552 5.145 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2Cc3ccccc3OC[C@H]2C)cc1 542953748 XTEYQZUKPVAVHQ-QGZVFWFLSA-N 429.476 5.174 30 20 IKED Cc1cc(C)c(NC(=O)CNC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(C)c1 543017903 RCYUGHRRGVYYSZ-FQEVSTJZSA-N 440.547 5.149 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccnc(SCC(F)(F)F)c3)n2)cc1 544549411 KEYANNKVUSBGCK-OAHLLOKOSA-N 449.479 5.358 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1sc([C@H]2CCCOC2)nc1C 550961989 JQWYCNGWOXKTHV-FQEVSTJZSA-N 449.551 5.512 30 20 IKED N#CCCC[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1)c1ccccc1 551595299 AETKZWAWFFGENH-QHCPKHFHSA-N 447.922 5.622 30 20 IKED Cc1nc(SCC(=O)N(Cc2ccccc2)c2ccccc2C#N)c(C#N)c(C)c1C 556672596 MIJCWPZCZAEKBM-UHFFFAOYSA-N 426.545 5.076 30 20 IKED CCC(=O)Nc1ccc(C)c(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1 561709668 RFAYLNPXFAOAPW-UHFFFAOYSA-N 438.959 5.114 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3C[C@H](c4ccccc4)[C@H]4COCC[C@@H]43)c2)cc1 562168381 MBEWFWHJZLJUGR-CYXNTTPDSA-N 439.515 5.387 30 20 IKED COc1ccc(CNc2ccnc(Oc3ccc(F)cc3F)c2)cc1OCCCC#N 567803919 CYQKTHSQHGCRLE-UHFFFAOYSA-N 425.435 5.455 30 20 IKED C=CCn1c(Cc2ccc3ccccc3c2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 570887616 GPOVPFFONYASNO-AYLZSAKASA-N 444.604 5.143 30 20 IKED CCN(CCC1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1)CC1CC1 580501877 SUGOGYLELCIXBL-UHFFFAOYSA-N 447.583 5.111 30 20 IKED CCCN(C(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[C@H](CC)c1ccccc1 583964829 DJCQUVHDQXXERD-XMMPIXPASA-N 442.519 5.074 30 20 IKED CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccc(OC)c(OC)c1 588235599 JLLGZDJKVFLKEW-FQEVSTJZSA-N 432.480 5.036 30 20 IKED CC(=O)N1CCc2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)ccc21 603766734 VOVIKSPPYRYRJA-JOCHJYFZSA-N 429.907 5.157 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1csc(-c2cc(Br)cs2)n1 604170393 FAVDKMYHUCXRLJ-UHFFFAOYSA-N 446.395 5.558 30 20 IKED C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 609028604 IGBLNNLIQJOICR-UZUQRXQVSA-N 447.516 5.035 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCN(C)Cc1ccccc1 609078791 OIILCKFLQFEJGP-UHFFFAOYSA-N 442.563 5.089 30 20 IKED CN(Cc1ccccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1)C1CCCCC1 609091452 UXQFVCSQCRYYAP-UHFFFAOYSA-N 446.595 5.117 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1csc(Cc2ccccc2)n1 609378392 JCLLHOBPELKHIH-UHFFFAOYSA-N 447.507 6.011 30 20 IKED Cc1cc(NC(=O)[C@@H](C)Nc2ccccc2SC[C@@H](C)C#N)ccc1Br 609386954 AGSMBOUSDGJVLI-DZGCQCFKSA-N 432.387 5.448 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OCC(C)C 609435026 LFQFPEVFUAIYEA-QZTJIDSGSA-N 441.597 6.007 30 20 IKED CCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 609502030 PKLRHOMOOLPUEW-UHFFFAOYSA-N 427.382 5.415 30 20 IKED Cc1ccc(C[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c2ccccn2)cc1 609687159 NSCVRVSNBXGNGO-AREMUKBSSA-N 426.564 5.413 30 20 IKED CC(C)[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nnc2ccccn12 609724360 RDGJJQAFLFRVIA-QFIPXVFZSA-N 445.910 5.174 30 20 IKED CC(C)CN(C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)C1CCN(C)CC1 609732078 UCSRAHZCAHKPIO-UHFFFAOYSA-N 425.960 5.196 30 20 IKED N#Cc1cccc(-c2nnc(CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)o2)c1 610218382 IBCFEBJXEBMUPQ-UHFFFAOYSA-N 436.496 6.223 30 20 IKED C[C@]1(C(=O)Nc2sc3c(c2C#N)CCCCCC3)CCCN(C(=O)c2ccccc2)C1 610224953 ONXYWJUMTQYGRZ-VWLOTQADSA-N 435.593 5.160 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1nc(C2CCCCC2)no1 610629561 MZOBNKGNYIVBET-HNNXBMFYSA-N 432.484 5.059 30 20 IKED N#Cc1ccc(CNC(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)c(F)c1 610720203 YAJQVRJQFDKXTQ-UHFFFAOYSA-N 442.416 5.023 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1 613391878 DOEMRZBSIZBGDQ-QHCPKHFHSA-N 435.508 5.751 30 20 IKED CCc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1cccc(Cl)c1 613404981 YMORHOGRYYRANJ-HNNXBMFYSA-N 439.853 5.323 30 20 IKED CC(C)(C)OC(=O)c1ccccc1C1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 615209664 AFPNKYJCNLYVGF-UHFFFAOYSA-N 430.548 5.217 30 20 IKED O=C(N[C@H](c1ccccc1F)C1CCCC1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674892364 VOLWWHBKLHAILJ-DZKIICNBSA-N 426.376 5.439 30 20 IKED N#CCOc1ccc(CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)cc1 729242429 UXIVMNVUPZYHBK-UHFFFAOYSA-N 446.963 5.706 30 20 IKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(C2CCC2)C1=O)Nc1ccc(F)cc1F 730460826 GMRLBTFBXWDKMA-GOSISDBHSA-N 449.910 5.131 30 20 IKED CCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)Cc1ccc(C(F)(F)F)cc1 731030074 BSYUXUIFWHHANT-MRXNPFEDSA-N 435.515 5.418 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 731109788 RLBWEJQNBDKJBL-CLJLJLNGSA-N 443.522 5.459 30 20 IKED Cc1cccc(-c2nnc([C@H](C)OC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)o2)c1 732398856 DJKSIPOCLIRTPF-INIZCTEOSA-N 426.432 5.022 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(SC(F)F)cc2)cs1 734980947 NERXRPIOOZASTJ-KPKJPENVSA-N 444.528 6.347 30 20 IKED Cc1ccc(Cn2nc(C)c(/C=C/C(=O)c3cnn(-c4ccc(C#N)cc4)c3C)c2C)cc1 741842829 CLBZAPDGDMMMLV-BUHFOSPRSA-N 435.531 5.119 30 20 IKED Cc1cc(F)ccc1-c1ccc(C(=O)OCc2nnc(-c3cccc(C#N)c3)o2)cc1F 745055563 RORVBRKHZLLOMX-UHFFFAOYSA-N 431.398 5.219 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cnc(-c2ccc(C)cc2C)s1 747111611 HBFCIKRQMUQDBZ-FQEVSTJZSA-N 431.561 5.513 30 20 IKED CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C#N)s2)NC(=O)N1Cc1cccs1 749013984 HKYGNZWBQTYFEZ-NRFANRHFSA-N 448.573 5.169 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCCc2cc(Cl)sc2Cl)cc1Cl 756232867 XZOWOVIOYBJOMV-GFCCVEGCSA-N 445.755 5.387 30 20 IKED CCOC(=O)c1sc([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nc1C 757197112 GUEMRFMDVWEOAC-OXJNMPFZSA-N 448.548 5.166 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2COc3ccc(Br)cc32)cc1 758409703 LWNIVQUCSMEPRF-LEWJYISDSA-N 433.305 5.219 30 20 IKED COc1cc(F)c(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1OC 760270642 RLORNZGEBKCYSD-ZHACJKMWSA-N 443.478 5.046 30 20 IKED C[C@@H](C#N)CSc1ccccc1NCc1nnc(-c2ccc(Br)s2)o1 768499118 ONAJMBLCQGJBKM-NSHDSACASA-N 435.372 5.424 30 20 IKED CC(C)(C#N)CCCCOC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 768572076 CLWZTNNAWPUMTJ-INIZCTEOSA-N 425.356 5.109 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(C)c(Br)cc1C 768780759 AOIKIENRTPHWRC-SFHVURJKSA-N 427.342 5.152 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H]2CCCc3nc(-c4ccccc4)sc32)ccc1OC 772986020 MPBZJZXCNPHUSC-UXHICEINSA-N 433.577 5.667 30 20 IKED COc1cc(-c2cc(C(=O)OCCC(C)(C)C#N)c3ccccc3n2)cc(OC)c1OC 776361350 OCJLRVBYURTUCM-UHFFFAOYSA-N 434.492 5.024 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1 780152281 SGRIPSVQPJNFLC-GFCCVEGCSA-N 432.263 5.104 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl 780500247 FGTHLXSZJWUWGR-UONOGXRCSA-N 436.364 5.907 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)c1 782290690 JGNRWYBQVBBWPC-GOSISDBHSA-N 443.425 5.280 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)O[C@H]([C@@H]2CCCOC2)C(F)(F)F)cc1Cl 789660846 SKICLVFPCYGEBF-DNVCBOLYSA-N 439.817 5.518 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)CCc1ccccc1NC(=O)OC(C)(C)C 790639542 INIBXATYLRAIJV-UHFFFAOYSA-N 444.915 5.496 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C\c1ncc(CN(C)C)s1 794707066 IVNLVERPZLWTLG-HJWRWDBZSA-N 448.411 5.295 30 20 IKED CN(CCC#N)c1ccc(/C=C2\SC(=S)N(CCSc3ccccc3)C2=O)cc1 814268648 YKDCAPWZUYAPRZ-SILNSSARSA-N 439.631 5.030 30 20 IKED C=CCC(F)(F)C(=O)OCc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1 815313219 ZSHJXLQONDWMKL-UHFFFAOYSA-N 434.386 5.101 30 20 IKED N#Cc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 915102616 AKWXTHJNYRWXMJ-INIZCTEOSA-N 428.300 5.244 30 20 IKED O=C(Nc1cccc(C=NNc2nncc3ccccc23)c1)c1ccc(Cl)cc1Cl 915914489 PMIHQYBOERTNHK-UHFFFAOYSA-N 436.302 5.635 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2ccc(C#N)cc2)cs1 915962967 YFJNQDNFOSBRBE-UHFFFAOYSA-N 429.427 5.164 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 916902025 CAYZOXMPIFPIPH-WMZOPIPTSA-N 442.943 5.204 30 20 IKED N#C[C@H](C(=O)CSc1cc(Cl)ccc1Cl)c1nc2ccccc2n1C(F)F 917039910 HRGAFRROVXMKKF-LLVKDONJSA-N 426.275 5.707 30 20 IKED Cn1ccnc1COc1ccc(C(=O)/C=C/c2ccc(-c3nc4ccccc4s3)o2)cc1 917517185 AWCPOGQVILNIIG-ZRDIBKRKSA-N 441.512 5.765 30 20 IKED CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)[C@@H](C#N)c1nc2ccccc2s1 920105730 DEDGKPYJKMZVJI-YKSBVNFPSA-N 441.556 5.009 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ncccc4[nH]3)CCC2)cc1 1786102827 BFJAYDIWRUFQOO-UHFFFAOYSA-N 428.536 5.079 30 20 IKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)C4CCC4)cc3)CCC2)cc(C(F)(F)F)c1 1787607797 LWRFGGGNYKQKBG-UHFFFAOYSA-N 441.453 5.125 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ncccc3-c3ccccc3)cc2)CCC1 1788802342 CMWVWMFOTCOLSI-UHFFFAOYSA-N 437.543 5.300 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C(F)(F)c3ccco3)CCC2)cc1 1789457834 BHIQDPFPHVJCOH-LJQANCHMSA-N 428.479 5.274 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4sc(C)nc4c3)CCC2)cc1 1791247652 DLKCTOHECZQISH-MRXNPFEDSA-N 433.577 5.565 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)CC(=C)C)[C@H]1c1cccnc1 1810497920 KBBGDONXNMUFOR-VXKWHMMOSA-N 425.617 5.072 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(F)c(F)c2C)[nH]n1 1814829992 LZNOGNFJIGZJMA-FQEVSTJZSA-N 442.510 5.071 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3sccc3[nH]2)n[nH]1 1819190499 QEMHGTCXWQDVFH-DNVCBOLYSA-N 437.569 5.027 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ccoc23)n[nH]1 1821533317 XTTDUABWMGJKHV-HXUWFJFHSA-N 434.540 5.454 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823214337 BVZHFYGKRJPGLU-AAIMPIBUSA-N 445.567 5.111 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(C)C)no2)CC1 1829068718 MPCZLGGAUOECQU-NRFANRHFSA-N 429.605 5.024 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)c(Cl)c1)=C(/S)Nc1ccccc1 10170425 FXCDVVOYKYOLIW-UHFFFAOYSA-O 430.380 5.894 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(N(C)C)cc2)c1 10174682 YPOQWYSGXIZWKV-UHFFFAOYSA-O 432.613 5.270 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(CO)c2)c1 10174716 ZVFCLHWNRIHSPL-UHFFFAOYSA-O 433.597 5.203 30 20 IKED C=CCn1c(SCC(=O)N[C@H](c2ccc(F)cc2)C(C)C)nnc1-c1cccc(C)c1 10241345 AIYMUTYROGYCPP-QFIPXVFZSA-N 438.572 5.184 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(C(C)C)cc2)cc1 11263442 AIAYJNYTJQIHCY-UHFFFAOYSA-O 434.629 5.666 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)OCc2csc(-c3ccccn3)n2)cc1 11659958 YOBWDWIPSNKQEG-UHFFFAOYSA-N 443.553 5.726 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)nnc1-c1cccc(C)c1 22010898 VTQRKKOOLKSHFC-AWEZNQCLSA-N 447.391 5.866 30 20 IKED C=CCn1c(SCC(=O)c2cc(C)n([C@@H](C)COC)c2C)nnc1-c1cccc(C)c1 22212490 ZNXNXRORVOBGNM-SFHVURJKSA-N 438.597 5.040 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1-c1ccc(F)cc1 24014714 LVAIKNRRQXLFNO-AWEZNQCLSA-N 430.936 5.351 30 20 IKED Cc1ccc(-c2csc3ncnc(SCC(=O)N(CC#N)c4ccccc4)c23)cc1 24313891 HLERXPAFXFPZSA-UHFFFAOYSA-N 430.558 5.316 30 20 IKED N#C[C@H](C(=O)CSc1nc(-c2ccccc2)cs1)c1nc(-c2ccccc2)cs1 43751148 NSXVBNUUXDUHTP-QGZVFWFLSA-N 433.583 5.902 30 20 IKED N#Cc1cc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)ccc1OCC(F)(F)F 60461751 NTVGWXDLAKLNMF-UHFFFAOYSA-N 434.345 5.063 30 20 IKED C=CCN(C(=O)COc1ccc(F)c(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 61279549 FHSSAQWEUAYUGB-UHFFFAOYSA-N 447.875 5.109 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 63389509 WWYMMLLGLZXABA-UHFFFAOYSA-N 448.445 5.434 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)/C=C/c1ccccc1OC(F)(F)F 71998997 QHUNAFGSLRBPOG-DHZHZOJOSA-N 439.393 5.605 30 20 IKED Cc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1C 78665762 QILZALYVXVJLRY-KRWDZBQOSA-N 436.606 5.614 30 20 IKED COc1cc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)ccc1O 106876127 SWRKCTRBLCFCAU-XBXARRHUSA-N 444.237 5.228 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c1C#N 107664283 BXVIZMYQWPSDOU-UHFFFAOYSA-N 432.524 5.102 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(C3CC3)no2)nc2sc(-c3ccccc3)cc2c1=O 108171973 BIAAVCDDMBCJQV-ZDUSSCGKSA-N 436.562 5.425 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)/C=C/c2nc3ccccc3s2)cc1 108734462 RABJRFJKQVOQEU-OUKQBFOZSA-N 427.504 5.549 30 20 IKED Cc1cc(NC(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)n(CCC#N)n1 109346480 SYWRJLVTFJTUBX-UHFFFAOYSA-N 447.568 5.028 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN(Cc1ccccc1)Cc1ccccc1 112571322 PXSZINYNVAMSBI-OAQYLSRUSA-N 429.589 5.579 30 20 IKED COc1ccc(C(=O)C2CCN(C(=O)Nc3cccc(C#Cc4ccccc4)c3)CC2)cc1 195583452 DFVJEMSUAQGLGU-UHFFFAOYSA-N 438.527 5.222 30 20 IKED C=CCOc1ccc(/C=C(/Cl)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1OC 229910460 PQEAJPNRUUWXDL-RVDMUPIBSA-N 428.941 5.174 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(CC)no2)nc2scc(-c3cccs3)c2c1=O 253606872 BXPYBAMLDPKABQ-NSHDSACASA-N 430.580 5.171 30 20 IKED N#Cc1cccc(OCCSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)c1 302968473 NMCHPMVIMPKBMA-UHFFFAOYSA-N 433.924 5.025 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2ccc(Br)cc2)cc1 303305022 DKGWOIOTOIZLGE-OAHLLOKOSA-N 433.371 5.275 30 20 IKED N#C[C@H](C(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nc2cc(Cl)ccc2s1 431138133 MOKGXOYDTYQGLY-GFCCVEGCSA-N 436.674 5.110 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCSC3(CCCCC3)C2)cc1 431407234 YBVGPTKOBZHCEZ-UHFFFAOYSA-N 435.593 5.615 30 20 IKED C=CCn1c(SCc2ncnn2C(C)C)nc2scc(-c3ccc(C)cc3)c2c1=O 432526799 MWMOKBOGBKRPMM-UHFFFAOYSA-N 437.594 5.084 30 20 IKED CC(C)Oc1ccc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)cc1C#N 435454697 ZGBDFKHKUCUUHF-UHFFFAOYSA-N 444.516 5.279 30 20 IKED COc1cc(-c2nc(CN[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cs2)ccc1O 436728342 KHZDRTFWLYJPQW-QGZVFWFLSA-N 441.556 5.914 30 20 IKED N#CCCC[C@H](NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O)c1ccccc1 436927106 ONMUEMRBHZLVHD-QFIPXVFZSA-N 449.457 5.088 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nc(-c2cccc(F)c2)no1 438067235 UJQFKWQGJQCOBR-OAHLLOKOSA-N 443.438 5.422 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1F 438665414 PVAOLRGLSAJYST-HXUWFJFHSA-N 434.471 5.041 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCC(c3ccccc3Br)CC2)c1 439022433 PMWPSJHALLSPAW-UHFFFAOYSA-N 441.369 5.276 30 20 IKED Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)c2ccc(F)cc2C(F)(F)F)n1 448456543 KHPXCMNHHNLBQG-UHFFFAOYSA-N 433.283 5.474 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)c2cnc(-c3ccccn3)s2)c1 460339194 NKTAJOKEQKGESO-UHFFFAOYSA-N 430.920 5.577 30 20 IKED C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC(n2c(C)nc3ccccc32)CC1 460542743 GJSZCAWBXXMSNC-UHFFFAOYSA-N 426.568 5.329 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)Cc1ccc(C#N)cc1 460650485 WOEMLPHXSXQHLS-UHFFFAOYSA-N 426.495 5.785 30 20 IKED Cc1ccsc1-c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCCO1 461686007 UTYQLQUBYJYFAJ-QFIPXVFZSA-N 445.592 5.050 30 20 IKED C=CCn1c(SCC(=O)N2C[C@@H](C)[C@H]2c2ccccc2)nnc1-c1ccc(Cl)cc1 464539447 CECZWDYHXDKDBC-IERDGZPVSA-N 438.984 5.096 30 20 IKED N#CCCCOc1cccnc1NC(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 466620254 ZRQOJHCBHRLNKB-SFHVURJKSA-N 432.446 5.542 30 20 IKED N#Cc1cccc(-c2nnc(CN[C@@H](c3ccccc3)c3ccc(Cl)c(Cl)c3)o2)c1 471605361 GRQRHAPXGVMZRZ-QFIPXVFZSA-N 435.314 5.794 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1 475581412 JEYOSVMZKCNFEA-FQEVSTJZSA-N 428.536 5.036 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1 476789794 VEMZWTZYMMSQKA-UHFFFAOYSA-N 429.564 5.647 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 479989318 DQPJEGPZDCAQDN-FOVJLYNBSA-N 442.584 6.260 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1 480812913 SAQSPLUMGRFDCM-UHFFFAOYSA-N 429.929 5.775 30 20 IKED COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 482935031 XZKKLZZVIGIHQV-RUZDIDTESA-N 442.515 5.181 30 20 IKED Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nccc4ccccc34)c12 483215669 IOIUEYSRGKSCCV-NRFANRHFSA-N 444.498 5.040 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1cnc2ccccc2n1 483232967 PFNHVRFTIFIKGE-GOSISDBHSA-N 449.445 5.340 30 20 IKED CC(C)CN(C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1)[C@H](C)c1ccccc1Cl 483446384 LREFRAVSPBYLFJ-DLBZAZTESA-N 447.988 5.277 30 20 IKED C[C@H](C(=O)Nc1cc(F)cc(NC(=O)[C@@H](C)c2cccc(C#N)c2)c1)c1cccc(C#N)c1 485190876 DZMNHXIZZJTICS-IRXDYDNUSA-N 440.478 5.053 30 20 IKED CC[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1cc(F)cc(Br)c1 487045734 PFVROSSSUJCFTH-HXUWFJFHSA-N 430.321 5.285 30 20 IKED N#CCCC[C@@H](NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1ccccc1 487594648 NPYBOFJOZYMHFC-GOSISDBHSA-N 428.410 6.010 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 488458270 MACPAURXGATONI-UHFFFAOYSA-N 447.947 5.507 30 20 IKED Cc1ccc(-n2c(SCC(=O)Nc3cc(Cl)ccc3C#N)nnc2-c2ccco2)cc1 488916609 LHFLKJKBOYDENV-UHFFFAOYSA-N 449.923 5.092 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccc(F)cc1)C1CCOCC1 494754087 UKZRBRAYTYXXBV-QGZVFWFLSA-N 427.545 5.291 30 20 IKED C=CCN(CCc1ccccc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 499305522 HICDWXPDCFJYDQ-UHFFFAOYSA-N 429.347 5.838 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)cc1 499748190 GRVPQPAOTWRGEP-RTWAWAEBSA-N 439.353 5.006 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1c(F)ccc(Br)c1F 503319838 IFZVFUUJBRBYAL-NSHDSACASA-N 425.298 5.303 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)o2)cc1 505508272 WQOHRUIRIYIPIZ-GOSISDBHSA-N 426.259 5.032 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@@H](C#N)c4ccc(Cl)cc4)cc3)o2)c1 505794706 FENFMBHVZBEHFR-NRFANRHFSA-N 428.879 5.360 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 507891585 TVCRFDYZNXVGEL-UHFFFAOYSA-N 436.393 5.358 30 20 IKED C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1c(Cl)cccc1Br 509074555 KHJZHQALMNZUFG-LLVKDONJSA-N 445.791 5.155 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)CCSc1ncnc2sc(C)c(C)c12 509186375 RSZUOJLDFLOVOQ-UHFFFAOYSA-N 427.595 5.014 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCn1cnc2ccccc21 510535188 UDILNBWPKUJCID-UHFFFAOYSA-N 425.492 5.221 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCc3c(Cl)cccc32)cc1 510918277 CZRXPJPQZBYSNZ-DEOSSOPVSA-N 431.923 5.794 30 20 IKED N#Cc1ccc(OC2CCC(NC(=O)N3CCCC[C@H]3c3cc4ccccc4[nH]3)CC2)nc1 511413353 HNDOEMBJGDIJKC-VUNKPPBISA-N 443.551 5.061 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCC(=O)Nc3cccc4ccccc34)cc2)cc1 513864134 QNYRBAXRYMTDFI-UHFFFAOYSA-N 436.471 5.264 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(Cl)c3c(c2)OCCCO3)cc1 515653246 JAKOXOFNNYRBGZ-UHFFFAOYSA-N 448.906 5.399 30 20 IKED C=C(C)CN1CCC(NC(=O)N[C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)CC1 517342004 YIKCBHPUPYKIJX-MRXNPFEDSA-N 433.021 5.173 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)N[C@H](C)C(=O)NC1(C#N)CCCCC1 517370980 QJGOFHIIQUWHMF-GDBMZVCRSA-N 431.005 5.154 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 517460858 BCLPQWAIBIHZDL-ZDUSSCGKSA-N 425.406 6.117 30 20 IKED COc1ccc(CC[C@@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 520831495 GWLSOMKAHNWVGH-HXUWFJFHSA-N 443.547 5.483 30 20 IKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1cccc2ncccc12 520834026 RCFBTDPZOZQNND-CQSZACIVSA-N 444.482 5.698 30 20 IKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 521811651 PCIHNQHHRXKGIA-QGZVFWFLSA-N 432.593 6.282 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)cc2F)c1 522744587 ATSRVKCAZGUYTC-UHFFFAOYSA-N 439.830 5.019 30 20 IKED COc1cc2cc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)[nH]c2cc1OC 522862592 XXWPNCBCRMVYIV-LBPRGKRZSA-N 439.443 5.077 30 20 IKED C[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccc2c(c1)CCC(=O)N2 523944621 JKADVTLMWIRMJB-HNNXBMFYSA-N 445.906 5.380 30 20 IKED CN1CCC[C@@H](CNC(=O)c2ccccc2Sc2ccccc2C#N)[C@@H]1c1cccs1 525040590 LCVKNFNFVDMXPR-YADARESESA-N 447.629 5.584 30 20 IKED Cc1nnc(-c2cccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c2)o1 525687771 IJHBPFZXVSVRHG-NRFANRHFSA-N 428.879 5.606 30 20 IKED C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1ccc(C2(C#N)CC2)cc1 539636432 SEFRVVCOXQXLBW-CALCHBBNSA-N 435.955 5.551 30 20 IKED CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 541157620 USPABJGLZDUMHY-MSOLQXFVSA-N 426.520 5.305 30 20 IKED N#Cc1ccc(SCc2nc(Cc3c[nH]c4ccc(Br)cc34)no2)cc1 546400632 XDYKKXKKUVCWNX-UHFFFAOYSA-N 425.311 5.068 30 20 IKED CSc1nccn1-c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 549159619 JRLCAZIWMISDOK-LJQANCHMSA-N 430.558 5.516 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)CSc3nnc(-c4ccc(F)cc4)o3)c2)cc1 552464228 AYPVSGSUUUNOKM-UHFFFAOYSA-N 446.463 5.270 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1Oc1ccncc1 578812155 WKFCZJOKWKSVKX-OAQYLSRUSA-N 436.496 5.668 30 20 IKED O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1ccoc1C(F)(F)F 578928239 VXHJXAGOKYVHFW-UHFFFAOYSA-N 434.267 5.896 30 20 IKED CSCC[C@@](C)(C#N)NC(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12 589020924 LIWHXFZUOFELJN-DEOSSOPVSA-N 440.012 5.427 30 20 IKED CC(C)(C(=O)NCc1ccc(C#N)c(Cl)c1)c1csc(-c2c(F)cccc2Cl)n1 589515875 QBRWVYKMLZOBKP-UHFFFAOYSA-N 448.350 5.722 30 20 IKED CCOc1c(Br)cc(Cl)cc1NCC(=O)Nc1cc(Cl)ccc1C#N 591008340 WPPGAODJXCTQCY-UHFFFAOYSA-N 443.128 5.077 30 20 IKED COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C3(C#N)CC3)cc2)c(OC)c1 602758460 KCWWYYXXDLNGPH-XMMPIXPASA-N 425.488 5.030 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cncc(Br)c2)cc1Cl 603673288 YQZISMAWZAMILN-SFHVURJKSA-N 426.701 5.405 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCCO[C@@H](c4ccccc4)C3)c2)cc1 609253404 IMQBGCOYHXVMEM-AREMUKBSSA-N 441.531 5.327 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(-n2cc(Br)cn2)cc1 609377866 HVDYNMAZZYAQBW-AWEZNQCLSA-N 441.354 5.139 30 20 IKED Cc1ccc(-c2nc(CCNC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)co2)cc1 609433998 VLQLZDZEDIYLIV-UHFFFAOYSA-N 438.487 5.678 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(OCc2ccccc2)cc1C 609755969 ZWECEEWCOSFTBK-UHFFFAOYSA-N 430.504 5.252 30 20 IKED CC(C)(C)Cc1nc2cc(NC(=O)N3CCCN(c4ccccc4C#N)CC3)ccc2o1 609811247 WDFOXHPPWFOOGL-UHFFFAOYSA-N 431.540 5.032 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](Cn2cccn2)c2ccccc2)cc1F 610334580 PPRYFCINIZJCGV-QFIPXVFZSA-N 441.466 5.249 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c1C(F)F 610892938 GZEDOZAJSQSHJK-UHFFFAOYSA-N 428.405 5.029 30 20 IKED N#C[C@H](C(=O)c1cccc(NC(=O)NC2CC2)c1)c1nc(-c2ccc(Cl)cc2)cs1 614470809 PTZRNEDPJVLOKP-GOSISDBHSA-N 436.924 5.237 30 20 IKED C[C@@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(C(F)(F)F)cs1 622564852 TUSDTVMVDRQCJE-ZCFIWIBFSA-N 436.299 5.691 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(OC)cc3)n2)nc2cc(Cl)ccc2c1=O 635530011 AQTUGXHTPIOYGG-UHFFFAOYSA-N 439.924 5.192 30 20 IKED O=C(Nc1ncc(Cc2ccc(F)cc2)s1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674419491 UNTXERFHOZUSRE-BETUJISGSA-N 441.372 5.078 30 20 IKED O=C(c1sc(-c2ccccc2)nc1C(F)F)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 677758953 WUBGSSSSVOXBCD-NXEZZACHSA-N 444.347 5.561 30 20 IKED Cc1cc(F)c(Br)cc1NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 682767292 MCSXILFCVGGLGQ-OCAPTIKFSA-N 437.153 5.101 30 20 IKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CCCCC#N)c1 728778840 GCCATJHODQXYPA-JOCHJYFZSA-N 448.592 5.212 30 20 IKED Cc1ccc2c(Cl)c(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccccc3)sc2c1 729727573 DUTZKOITNGXTPH-OAHLLOKOSA-N 426.925 5.355 30 20 IKED Cn1c([C@H](C#N)C(=O)[C@@H](Sc2cc(F)ccc2F)c2ccccc2)nc2ccccc21 730395211 PVPIWBLQBITWQU-HXOBKFHXSA-N 433.483 5.561 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)/C=C\c1cccc(Br)c1 731340782 RGYNJKIQTJYXMI-HCYCVZQXSA-N 437.384 5.256 30 20 IKED CCCOc1nc2ccccc2cc1/C=C/C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 731769123 XMXXABUYLCMIEF-JNCYCUAHSA-N 437.499 5.418 30 20 IKED Cc1ccc(COc2cccc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)c2)cc1 732144059 LXOTZXBUFUWXAF-UHFFFAOYSA-N 441.531 5.240 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cccc(C#Cc3ccccc3)c2)ccc1OC 733618676 JTKLMFYPXNPKIF-DEOSSOPVSA-N 439.515 5.098 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2Cc3ccccc3-c3ccccc3C2)ccc1OC 733657082 SGACCMYCYCLNSW-QFIPXVFZSA-N 441.531 5.269 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(O[C@@H](C)c3ccccc3)cc2C)c1 733844632 RCEZLFAMWWKXCE-NZQKXSOJSA-N 443.547 6.138 30 20 IKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nc2ccccc2s1 734142515 TVUJIDUJLZNHCY-INIZCTEOSA-N 429.570 5.951 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccc(Cl)c3)n2)cc1 734706550 MACXSPKFWKXBAH-NNMXDRDESA-N 449.963 5.168 30 20 IKED N#Cc1ccccc1NC(=S)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 734979994 DBNGSEZDIQECLR-UHFFFAOYSA-N 442.331 5.321 30 20 IKED COc1ccc(OCc2nc(/C=C\C(=O)c3ccc(SC(F)F)cc3)cs2)cc1 734982080 WNKNFUAZPMYQGX-WCIBSUBMSA-N 433.501 5.942 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C/C(=O)c1c(Cl)nc2ccccn12 737446459 SSIJGSQFHVIPSS-MDZDMXLPSA-N 429.282 5.230 30 20 IKED Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)c3ccccc3SCC#N)cc2)c1 737923602 RVAPEAYPGRGNPT-UHFFFAOYSA-N 430.573 6.565 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C1(c2cccs2)CCCCC1 738704883 YITMEJQCAPKYLX-KRWDZBQOSA-N 442.606 5.384 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Cc3csc(-c4cccc(F)c4)n3)c2)s1 739589479 AJRVBTKVGSRALM-UHFFFAOYSA-N 433.533 5.408 30 20 IKED Cc1ccc(C(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)cc1NC(=O)Nc1ccccc1 741437286 HSRWNRMNVAFKSH-LJQANCHMSA-N 431.467 5.317 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)ccc1OC 741929684 NEXAUEBWVQDATO-QYZOEREBSA-N 433.335 5.103 30 20 IKED Cc1nc(=NC(=O)c2sc3cc(C(C)C)ccc3c2Cl)n(-c2ccc(C#N)cc2)[nH]1 741946202 RFFADXGGOLSLOJ-UHFFFAOYSA-N 435.940 5.113 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=S)N[C@@H]1CCc2ccccc2C1 742994080 QJNJUHRAZHQKOH-LJQANCHMSA-N 433.390 5.008 30 20 IKED CCOc1cccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)c1 743538865 QYYAAIGSVYRKRZ-XFXZXTDPSA-N 426.925 5.776 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3ccc(SCc4ccccc4)cc3)o2)c1 744822363 SZOCHEBSMJXKTC-UHFFFAOYSA-N 427.485 5.258 30 20 IKED C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 746806562 DHAQGGGIWAFPOV-KPRKEFCRSA-N 431.561 5.304 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 748004535 ZZOMRHCFDWDENT-KUHUBIRLSA-N 448.504 5.193 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748630923 PMMHCJNVSGRCGG-UHFFFAOYSA-N 432.392 5.036 30 20 IKED COc1cc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1OCc1ccccc1 752047002 FKXQJAZZFXVHSN-BJKOFHAPSA-N 426.516 5.186 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCCCC[C@H]3C[C@@H](O)c3ccco3)cc2)cc1 752102649 QOEHNWMBKQRRDI-WIOPSUGQSA-N 444.531 5.646 30 20 IKED CN1CCC(N(C)c2ccccc2CNCc2cccc(-c3ccc(C#N)s3)c2)CC1 759834362 PEOCGSGQYUABDU-UHFFFAOYSA-N 430.621 5.107 30 20 IKED CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 762385244 SEERUHFTZSNRJA-RUZDIDTESA-N 439.519 5.253 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)cc1Cl 762944387 ODOGRTHAPLIEFY-WLRLJWMZSA-N 444.025 5.497 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1cc(F)c([N+](=O)[O-])cc1F 763483603 SEADMSHASOKOSB-UHFFFAOYSA-N 444.234 5.085 30 20 IKED CC(C)(C#N)CCCCOC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 768626853 JNRMTXOONWKNSB-NOZRDPDXSA-N 432.564 5.430 30 20 IKED CC(C)(C#N)CCCCOC(=O)Cc1csc(-c2cc(Br)cs2)n1 768627127 JTASABGDBWCHOL-UHFFFAOYSA-N 427.389 5.440 30 20 IKED C[C@@H](Oc1cccc2ccccc12)C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 774037482 LPXRPHHIQAMVPF-RDTXWAMCSA-N 443.528 5.073 30 20 IKED CC[C@H](Cc1ccccc1Br)N(C)C(=S)Nc1ccc(C#N)c(Cl)c1 774259141 VVRNLNFPMAMMNA-MRXNPFEDSA-N 436.806 5.624 30 20 IKED COc1ccc(C[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 781448005 KXHWCMCRYJUWEW-KDOFPFPSSA-N 440.952 5.536 30 20 IKED N#Cc1ccc(NC(=S)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1Cl 782206891 YWKFXHXYUGRYQM-QGZVFWFLSA-N 425.863 5.001 30 20 IKED FC(F)(F)c1cc([C@H](NCCC2OCCCO2)C(F)(F)F)cc(C(F)(F)F)c1 783013691 MTZOZKIXPLTEGG-ZDUSSCGKSA-N 425.291 5.070 30 20 IKED Cc1cc(Br)cc2cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)oc12 783077358 PNBUIACVXHSWSA-ZDUSSCGKSA-N 449.663 5.257 30 20 IKED Cc1ccc(C#N)cc1NC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 783938444 FIVMPNSSBGGMSV-UHFFFAOYSA-N 448.548 5.513 30 20 IKED C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 785162026 RQFSZKRKWKDGJY-WGURPXDASA-N 437.543 5.110 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 788353860 NOSNLHZAPWXMLW-CWRNSKLLSA-N 440.471 5.085 30 20 IKED COc1ccccc1-c1ncc(/C=C\C(=O)c2cnn(-c3cccc(Cl)c3)c2C)cn1 792883689 MILPXWAGVUERCS-KHPPLWFESA-N 430.895 5.196 30 20 IKED COc1ccccc1-c1ncc(/C=C/C(=O)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)cn1 792888103 XJHHENMVCXTQFM-BQYDLMEBSA-N 448.494 5.135 30 20 IKED N#CC1(CCCOC(=O)[C@@H](Sc2cc(F)ccc2F)c2ccccc2)CCOCC1 800218256 NHYJZKABETVRJH-NRFANRHFSA-N 431.504 5.442 30 20 IKED COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1cc(C#N)ccc1Cl)c1ccccc1 803835151 FNHGBIOMBHJTRZ-QFIPXVFZSA-N 434.879 5.066 30 20 IKED O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)Nc1ccc(C(F)(F)C(F)(F)F)cc1 806258975 JCKNHLQXEVQVER-CQSZACIVSA-N 442.306 5.215 30 20 IKED N#CC1(OCCOC(=O)c2oc3ccccc3c2CSC2CCCCC2)CCOCC1 809081644 NLFXDUICYVRHMG-UHFFFAOYSA-N 443.565 5.245 30 20 IKED C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1Cc2ccc(Br)cc2C1 809881606 HKSCSLPKLSIPSR-AWEZNQCLSA-N 443.320 5.026 30 20 IKED N#C[C@H](COC(=O)c1nc2ccccc2cc1Cl)Cc1cccc(Br)c1 810729894 RWNBUSKLDFBPPJ-CQSZACIVSA-N 429.701 5.190 30 20 IKED Cc1nc(COc2ccccc2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cs1 915085054 DUNGLDHDYOALQU-XMMPIXPASA-N 439.540 5.938 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1 915085880 CJEXYOJQRQHZEE-JOCHJYFZSA-N 425.463 5.707 30 20 IKED Cn1ccnc1[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(F)c1 915352825 KEAHAJDNXJAUCH-DNQXCXABSA-N 439.494 5.126 30 20 IKED Fc1cc(Br)ccc1C=Nn1cnnc1SCc1ccc(Cl)cc1 916546305 KVLDHJNOHJRQNW-UHFFFAOYSA-N 425.714 5.008 30 20 IKED O=[N+]([O-])c1cccc(-c2ccc(C=Nn3cnnc3SCc3ccc(Cl)cc3)o2)c1 916546368 NNDBMVRCOVRQPC-UHFFFAOYSA-N 439.884 5.274 30 20 IKED C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916846996 JCCOUYBTFXXKAB-KDOFPFPSSA-N 449.576 5.217 30 20 IKED N#C[C@@H](C(=O)CCCOc1ccc(F)cc1)C(=O)Nc1ccccc1Oc1ccccc1 916909858 REJLTRXRCLJCND-NRFANRHFSA-N 432.451 5.125 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(F)cc1 916928357 JSQWAYVNKGQBBU-SFHVURJKSA-N 444.293 5.501 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N(c4ccccc4Cl)C3)n2)cc1 916975298 XHUQEZHLQPHENM-DLBZAZTESA-N 435.936 5.001 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCNC(=O)OCc3ccccc3)n2)cc1 916977091 JDISJZIIFYQPIE-FQEVSTJZSA-N 433.533 5.001 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(CCC)Cc2ccc(C#N)cc2)c1=S 917457255 DFBVGQBPCZMBKH-UHFFFAOYSA-N 433.581 5.017 30 20 IKED O=C1Nc2ccccc2C12CCC(=NNC(=S)Nc1ccc(SC(F)F)cc1)CC2 917534065 GPCPEXNAYVCYJA-UHFFFAOYSA-N 446.548 5.108 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc3ccccc3c(Cl)n2)cc1 920003744 NCQYXNCVNPAYNG-UHFFFAOYSA-N 429.882 5.742 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1OCC 920102571 WAZWDDLNNUYYCE-QGZVFWFLSA-N 438.911 5.523 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3cc(C)ccc3Cl)n2)cc1 920139330 RIYZWUSLBQCTLG-YOEHRIQHSA-N 426.925 5.424 30 20 IKED CCOc1ccccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3)CCC2)cc1 1790240759 JQVXPOSFOSBWMN-UHFFFAOYSA-N 439.515 5.018 30 20 IKED Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)o1 1791948041 SGWLWRPJJNETPP-UHFFFAOYSA-N 447.922 5.104 30 20 IKED Cc1[nH]ccc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792123512 GJXYLKFHOJPGBZ-KRWDZBQOSA-N 426.520 5.012 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccccc2)c(F)c1 1799339732 BNNWRZVVRZGXGO-UEQSERJNSA-N 446.566 5.513 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)s2)[nH]n1 1814827547 RYOGZTIGASCDMK-MRXNPFEDSA-N 432.977 5.199 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)[nH]n1 1821920073 CVMYUTXAAKGVAF-QTWZMDIBSA-N 440.975 5.071 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3sccc3[nH]2)CC1 1824141899 ABOOKUJSFSKJMC-JOCHJYFZSA-N 439.625 5.231 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3ccoc3c2)CC1 1824143942 WMHQRLVFOPKMDT-XMMPIXPASA-N 434.580 5.435 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)C(C)C)CC1 1824243668 URZLUSXRCBIBPJ-XZOQPEGZSA-N 446.582 5.257 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](F)c2ccccc2)CC1 1824858523 RNBSLVDLWAJHDS-XZOQPEGZSA-N 428.592 5.309 30 20 IKED Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1 1829689785 PNWOACDUAZGMEF-HSZRJFAPSA-N 449.982 5.067 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(Cl)cc1C(F)(F)F 1847267753 DBVPKOFOELMOJM-ROUUACIJSA-N 442.909 5.167 30 20 IKED C[C@@H](Sc1ncnc2scc(-c3ccc(F)cc3)c12)C(=O)Nc1ccccc1C#N 11498438 GEXPMBCRESJLMB-CYBMUJFWSA-N 434.521 5.488 30 20 IKED N#CCc1ccccc1C(=O)OCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 28719007 COVBAXYBAHABIQ-UHFFFAOYSA-N 434.904 5.392 30 20 IKED Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)cc1C 29150445 ZCPKZEPIITXSNK-UHFFFAOYSA-N 447.560 5.158 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(Cl)cc(Br)c1OCC 63390325 YNFHVGWAQPVDKE-UHFFFAOYSA-N 448.748 5.593 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC2CCN(CC3CCCC3)CC2)cc1 63392800 VUWWIKOCBPAISO-UHFFFAOYSA-N 446.595 5.108 30 20 IKED CCCN(CC)c1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 63451764 QUTBEZDDZFSTOG-UHFFFAOYSA-N 437.594 5.191 30 20 IKED C[C@H](COCC(F)(F)F)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 65412204 CYDNFRGPYFWGKH-CXAGYDPISA-N 425.838 5.084 30 20 IKED Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccccc3SCCC#N)cccc2c1=O 78668749 CEAKJGQMCHJKNY-UHFFFAOYSA-N 440.524 6.027 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(Sc3ncccn3)cc2C)cc1OC 207304592 IGPMBLFHBVKMCJ-XFFZJAGNSA-N 433.533 5.162 30 20 IKED Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 218972446 JPHUHOVAJUEXMN-UHFFFAOYSA-N 434.908 5.475 30 20 IKED C[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1cccc(OCc2ccccn2)c1 237457035 HZCGFCHAVWTTDO-JOCHJYFZSA-N 449.554 5.962 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CCCc3nc(-c4ccc(F)cc4)no3)cc2)c1 303347654 MVKVGGRHZQPBSD-UHFFFAOYSA-N 442.450 5.501 30 20 IKED N#CCCC[C@H](NC(=O)NCc1ccc(-c2nc3ccccc3s2)o1)c1ccccc1 431773832 WOIVZNYLZFHLRH-IBGZPJMESA-N 430.533 5.791 30 20 IKED Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1 432907483 VXAXTOKMAIRJSQ-DEOSSOPVSA-N 432.568 5.424 30 20 IKED COc1ccc(C#N)cc1CNc1ccccc1CN(C)C(=O)c1cc2ccccc2o1 434889662 YKYJTRAMFLSTMG-UHFFFAOYSA-N 425.488 5.197 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CCCCC2)cc1Cl 435218313 VEEVUCKWUQVYLG-QZNHQXDQSA-N 435.955 5.019 30 20 IKED CC[C@@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(F)cc2C#N)c2cccs2)cc1 435634675 HHYHAMOIJKXVRW-IVZQSRNASA-N 435.524 5.117 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c2)c1 437887062 CYSKXJSQRLJTOG-DQEYMECFSA-N 449.514 5.114 30 20 IKED Cc1cc(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)ccc1C1CC1 441789333 QLNXTZMUKZGMBU-UHFFFAOYSA-N 447.482 5.474 30 20 IKED C=CCC[C@H](Nc1ccc(C(=O)Nc2nncs2)cn1)c1ccc(C(F)(F)F)cc1 441968253 XTKMBYWEVIGGKU-INIZCTEOSA-N 433.459 5.324 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)c1nc2ccccc2s1 442623499 XOBGAGDVARYHPC-CYBMUJFWSA-N 440.311 6.280 30 20 IKED CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)c1cn(CCCC#N)c2ccccc12 444054458 LIARWISKXRATDM-UHFFFAOYSA-N 439.563 5.050 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1csc(NC(=O)C(C)(C)C)n1 463143847 ULDFBNFKHLWQOT-UHFFFAOYSA-N 448.548 5.281 30 20 IKED CCO[C@@H](C)c1nc(CN(C)C(=O)c2ccccc2Sc2ccccc2C#N)cs1 463978201 CZJAPZTWEVYSOC-INIZCTEOSA-N 437.590 5.536 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)s2)cc1 468804496 BWTWRSANEKCCJE-GOSISDBHSA-N 444.604 6.183 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2)cc1NCC(=O)N(CCC#N)c1cccc(C)c1C 470534920 WFECFBOOLMFAIJ-UHFFFAOYSA-N 440.547 5.223 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCCCC[C@@H]3c3ccccc3)ccc21 470549832 QNNKGIZMTZNIEZ-HSZRJFAPSA-N 430.552 5.419 30 20 IKED C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NCc1nnc(-c2cccc(C#N)c2)o1 471623274 ZLJSDHRPGFGCKS-HZPDHXFCSA-N 449.942 5.277 30 20 IKED CSc1cccc([C@@H](NCc2nnc(-c3cccc(C#N)c3)o2)c2ccc(F)c(F)c2)c1 471642744 DMNSZINBYDJPBU-HSZRJFAPSA-N 448.498 5.488 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@]4(CCCOC4)C3)cc2Cl)cc1 473627478 ASADFRPDAIGYDQ-HSZRJFAPSA-N 425.916 5.428 30 20 IKED C=C(C)Cn1c(S[C@@H](C)C(=O)c2ccccc2Br)nnc1-c1ccncc1 473783599 SYLGOQOZGDGOKK-AWEZNQCLSA-N 443.370 5.042 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(=Cc3cccc(OC)c3)CC2)cc1 473784551 VSQRUULXQYAPPC-UHFFFAOYSA-N 445.563 5.221 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1 474540578 MLDMCVIJWQITKN-JOCHJYFZSA-N 431.515 5.776 30 20 IKED CC[C@@H](NC(=O)NCCCCC#N)c1ccccc1OCc1ccccc1Br 477363558 HGYBKGIYNFMLKH-HXUWFJFHSA-N 444.373 5.472 30 20 IKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 479185085 IMDJJJPEJUIXOZ-IPJUCJBFSA-N 434.565 5.261 30 20 IKED COc1cc(CN[C@@H](C)c2ccc3ncsc3c2)ccc1OCc1cccc(C#N)c1 485851952 WACFYGDGAYGMOX-KRWDZBQOSA-N 429.545 5.606 30 20 IKED CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 490182830 RTRQJKQVRSTPHL-UHFFFAOYSA-N 449.963 6.354 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cc(F)c(OC(F)F)cc2F)cc1 490233188 ACEPKGCRSVZMKD-UHFFFAOYSA-N 430.357 5.269 30 20 IKED Cc1c(C(=O)Nc2cc(F)c(OC(F)F)cc2F)sc2nc(C(F)(F)F)ccc12 490290287 UTSPCPZSHNLSHD-UHFFFAOYSA-N 438.324 5.755 30 20 IKED N#Cc1c(F)cccc1N[C@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1 498918834 SBIQIBZNPSPINB-FQEVSTJZSA-N 442.263 5.391 30 20 IKED Cc1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1NC(=O)c1ccco1 505349395 KRANNJAGFVAYIS-KRWDZBQOSA-N 428.275 5.142 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2cnn(-c3ccccc3)c2)cc1 505712416 BIZRQMXAPFGUDJ-UHFFFAOYSA-N 438.487 5.116 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3CCC[C@@H]3c3cccc4ccccc34)CC2)c(F)c1 506743388 LSENQAYVUFNWHA-RUZDIDTESA-N 427.523 5.431 30 20 IKED COc1cc(C(=O)N2CCC(C)(C#N)CC2)ccc1OCc1ccc(Cl)cc1Cl 507842189 WBYCPFMHRXBKSF-UHFFFAOYSA-N 433.335 5.347 30 20 IKED CCN(C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 509564038 KHAXFZNSHSYXSJ-CJFMBICVSA-N 425.532 5.029 30 20 IKED CCN(C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 509564041 KHAXFZNSHSYXSJ-NBGIEHNGSA-N 425.532 5.029 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1csc(Cc2ccccc2)n1 510238966 JEPFWVFFQZYOMW-UHFFFAOYSA-N 439.540 5.888 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1F 512642939 ULSIGGJYWULTNU-QWHCGFSZSA-N 444.373 6.304 30 20 IKED Cn1c([C@H]2CCCN2C(=O)c2cccc(COc3ccccc3C#N)c2)nc2ccccc21 513239321 WZVMOAWFDQGFRV-XMMPIXPASA-N 436.515 5.001 30 20 IKED Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2nc3ccccc3n2C)c1 513677118 QTAACHRFEKDBET-OAQYLSRUSA-N 431.499 5.225 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 515541949 HUPTYSJJUZAJGT-SFHVURJKSA-N 449.532 5.783 30 20 IKED CSc1cccc(NC(=O)[C@@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 518148388 UIKOSTUOKZITKD-CYBMUJFWSA-N 439.528 5.872 30 20 IKED CC(C)[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc2c(c1)OCCO2 518684594 HHWZFKQUFYBCNO-KSFYIVLOSA-N 425.554 5.228 30 20 IKED CC(C)(C(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1cccc(C(F)(F)F)c1 518922375 NCCMHFFUPGMQJQ-UHFFFAOYSA-N 430.470 5.361 30 20 IKED N#C[C@H](NC(=O)CCc1ccc(OC(F)F)cc1)c1ccc(OCc2ccccc2)cc1 519130759 XJUOJIAFNXMUDC-QHCPKHFHSA-N 436.458 5.181 30 20 IKED CC(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1S(=O)(=O)CCCC(C)(C)C#N 519303023 CDVXFSHOEJLNAA-UHFFFAOYSA-N 443.400 5.012 30 20 IKED CN(Cc1cc(Br)cs1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 519989900 WHLUDPSSKUFIEE-UHFFFAOYSA-N 442.338 5.838 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)cc2)nc1 520334078 UGEFASRJYOIZNT-HXUWFJFHSA-N 426.501 5.333 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3nc(CN4CCCCC4)cs3)cc2)cc1 520338760 SILRBPOPBDZEQM-UHFFFAOYSA-N 432.549 5.240 30 20 IKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)NCc1ccc(Cl)cc1 520835444 NGBFQLNPCXHDSI-CYBMUJFWSA-N 441.906 5.481 30 20 IKED CCCNC(=O)c1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 523881755 QMELELZEYZCRCM-UHFFFAOYSA-N 433.895 5.396 30 20 IKED CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ncccc2OCCCC#N)c1 525158110 UUFPQVANMMCHMV-UHFFFAOYSA-N 428.920 5.045 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](COc2ccccc2Cl)C1 533139030 HYYPSDZLTSMSCJ-QZTJIDSGSA-N 444.000 5.915 30 20 IKED CN(C(=O)c1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 536050050 RDTBPGWOLPLORD-NRFANRHFSA-N 438.314 5.265 30 20 IKED C=CCN(C(=O)CCc1cnn(C)c1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 536253119 OIIWKTGGHYGOPP-UHFFFAOYSA-N 435.380 5.311 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)s2)cc1 541491850 XYZZBHFXRUUKRM-SFHVURJKSA-N 430.577 5.734 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@@H](C)c2nc(C(C)(C)C)cs2)n(C2CCCC2)c1C 541653048 SPOIXXVYEVUGBT-HNNXBMFYSA-N 427.618 5.135 30 20 IKED COCCOc1cc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1OC 542923274 CFRWEKQJPGPNHL-GOSISDBHSA-N 445.519 5.142 30 20 IKED O=C(CC[C@H]1CCOC1)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 543084660 PLSIFXOHBRTOQL-XPTSAGLGSA-N 437.302 5.261 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 543350731 BFXRLULDKMTPPI-FQEVSTJZSA-N 447.457 5.361 30 20 IKED C[C@@H](NC(=O)N[C@@H](c1ccccc1)c1nccn1C)c1ccc(-c2cccc(C#N)c2)cc1 543909873 CJCTZOIREOIDID-CLOONOSVSA-N 435.531 5.109 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3CCOc4ccc(F)cc43)c2)cc1 548080793 RPLUZOFVSWJGNP-QHCPKHFHSA-N 431.467 5.116 30 20 IKED Cc1c(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)sc2ccc(C#N)cc12 550597677 UWDXCKNZTUZAHC-UHFFFAOYSA-N 445.523 5.458 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCCc1cc(Br)ccc1F 553404168 QQAGLDHILBYTQG-CYBMUJFWSA-N 436.350 5.204 30 20 IKED CN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(Cl)c(C(F)(F)F)c1 561869105 YBMDHVXBSAJIDU-UHFFFAOYSA-N 434.801 5.679 30 20 IKED C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc2n[nH]cc2c1 562100128 NNYBTVADZKTOGY-QGZVFWFLSA-N 425.492 5.091 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NC[C@H]3CCCO[C@@H]3c3ccccc3)cc2)ccn1 563967995 KBJXSPHGHPTUQD-NTKDMRAZSA-N 428.492 5.035 30 20 IKED C=C(C)COc1cc(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)ccc1OC 576772095 BJJRAVZCOFXPHR-XMMPIXPASA-N 449.513 5.926 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N(C[C@@H]2CCCO2)c2ccncc2)c1 580356707 MKDCFROHPYKONU-FQEVSTJZSA-N 433.895 5.225 30 20 IKED COc1ccc(Br)cc1-c1noc(-c2cn(CCCC#N)c3ccccc23)n1 581096218 GITUCPUFLPIGOY-UHFFFAOYSA-N 437.297 5.433 30 20 IKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)ccc1F 585741533 JJMXQEUJKXXCQW-DEOSSOPVSA-N 448.542 5.026 30 20 IKED Cc1ccc(-n2c(SCCC(=O)Nc3ccccc3C#N)nnc2-c2ccccc2)cc1 589942338 KGJCXVGGWSBRRS-UHFFFAOYSA-N 439.544 5.235 30 20 IKED Cc1ccccc1-c1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)o1 590613235 RYUMQFHGODEFFI-UHFFFAOYSA-N 443.532 5.055 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccnc3Sc3ccccc3)s2)cc1 602228965 SXDZUZJTTYVORG-UHFFFAOYSA-N 428.542 5.404 30 20 IKED Cc1nc(SCC(=O)N(Cc2ccccn2)c2ccc(Cl)cc2)c(C#N)c(C)c1C 603998023 GKYQIVGBECDAKU-UHFFFAOYSA-N 436.968 5.252 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCN2Cc3ccccc3C2)cc1Cl 604485434 DNLMSFSUJBGAEO-HSZRJFAPSA-N 430.939 5.133 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 606766774 RFMBLUPPTLDPHF-UHFFFAOYSA-N 447.438 5.231 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cnc(-c2ccccn2)s1 609010759 RRATWZSVYXRSDI-UHFFFAOYSA-N 428.492 5.371 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cnc(-c4ccccn4)s3)cc2Cl)cc1 609011072 XKJFIIAHBVPBQW-UHFFFAOYSA-N 432.892 5.775 30 20 IKED COc1ccc(SCCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 609061689 VHDZXPMQTXFTEM-UHFFFAOYSA-N 432.545 5.575 30 20 IKED CC(C)Oc1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(C(F)(F)F)c1 609212742 TWENOJCCERFFAN-UHFFFAOYSA-N 447.457 5.440 30 20 IKED CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)NCc1ccc(C#N)cc1F 609254324 JDPUFLHKEIMVTI-UHFFFAOYSA-N 425.504 5.685 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)c1cc2ccccc2n1CC#N 609305186 AQLAQUWEZBNLIU-CQSZACIVSA-N 434.952 5.741 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)CCCCOc3cccc(C#N)c3)s2)cc1 609505335 YCCXEWBCGSXTMK-SFHVURJKSA-N 433.577 5.725 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N3CCC(OCCc4ccccc4)CC3)c2)cc1 609987358 HLILDKCMXYZWPA-UHFFFAOYSA-N 425.532 5.166 30 20 IKED CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 610093472 HDWRRNXMISGGTL-QHCPKHFHSA-N 427.508 5.211 30 20 IKED C[C@@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 610162961 AJQZSHUARZUDTM-JPYJTQIMSA-N 433.939 5.410 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1)c1cccc(C#N)c1 610385334 GCIIODCGELFKQM-HNNXBMFYSA-N 435.936 5.179 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)N[C@@H](C)c2cccc(C#N)c2)nc1-c1ccccc1 610500027 KKVAFSUSEIWWTJ-AVRDEDQJSA-N 428.536 5.944 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 610683452 BOTDIPDSKIQBRP-RPLLCQBOSA-N 440.543 5.899 30 20 IKED C[C@@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 610809896 JJCMUNUMQQSINZ-CYBMUJFWSA-N 442.407 5.310 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4ccc5ccccc5n4)cc3)o2)cc1 613290916 OVAAIRMXAHBXIL-JOCHJYFZSA-N 430.467 5.750 30 20 IKED CC(C)NC(=O)CSc1ccccc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 613407243 MXXNVWAVHCCPMK-OAHLLOKOSA-N 443.981 5.056 30 20 IKED CC(=O)Nc1sc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)nc1-c1ccccc1 614094758 NHURRVFWFLECSZ-UHFFFAOYSA-N 431.304 5.199 30 20 IKED N#C[C@@H](C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)c1nc2ccccc2s1 673811564 GBXIHRAPSMUZDM-ZDUSSCGKSA-N 429.448 5.929 30 20 IKED N#C[C@H](C(=O)c1sc(-c2ccccc2)nc1C(F)F)c1nc2cc(F)ccc2s1 677791716 RHAISMXOPFSNFE-GFCCVEGCSA-N 429.448 5.987 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)c(F)c1 682192870 OSVMHNNTUFFBMC-RKDXNWHRSA-N 425.266 5.484 30 20 IKED CC(C)(C)OC(=O)NC(C)(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728028864 AMFZCZZSEZTHAW-UHFFFAOYSA-N 443.931 5.032 30 20 IKED N#C[C@H](C(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 728766077 WZTFDKXMXVAAPD-KGLIPLIRSA-N 442.384 6.228 30 20 IKED C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)nc1C 731225017 MOEXQNYNCRHXFI-ZWKOTPCHSA-N 447.589 5.080 30 20 IKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2C2CCC2)c1 731312209 JMAJDBZBKWAWNZ-NRFANRHFSA-N 437.565 5.028 30 20 IKED Fc1ccc(C(F)(F)F)cc1C=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1 733204362 POTFTHBCNQFJPC-UHFFFAOYSA-N 429.299 5.161 30 20 IKED C#CCN(C(=O)Nc1ccccc1SC)[C@@H]1CCOc2ccc(Br)cc21 733614486 DOWPQOATTOORFY-QGZVFWFLSA-N 431.355 5.162 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 733773621 BFIPVUKGGJYUMX-MRXNPFEDSA-N 430.348 5.335 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2oc3cc(OC)ccc3c2-c2ccccc2)c1 733774759 KOQCXEBCQUJYNP-FQEVSTJZSA-N 440.499 5.719 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)c1 733786331 FQCTVUVQWIXUPR-GIVPXCGWSA-N 431.561 5.343 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(OCc3cccc(C)c3)c2)c1 733845154 NQOBUBPIHWTTQJ-HSZRJFAPSA-N 429.520 5.577 30 20 IKED Cc1ccnc(-c2ccc(NC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)cc2)n1 740454928 WFHPVMNZIIZESN-UHFFFAOYSA-N 425.517 5.374 30 20 IKED O=C(/C=C\c1ccc(-c2nc3ccccc3s2)o1)c1c(F)cccc1N1CCOCC1 741447455 LONYZTRTXYMAMG-NTMALXAHSA-N 434.492 5.428 30 20 IKED CC(=NNc1nc2cc(C(F)(F)F)ccc2s1)c1cnn(-c2ccc(C#N)cc2)c1C 743444457 NNJFDWVUAGGTFC-UHFFFAOYSA-N 440.454 5.517 30 20 IKED COc1cc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1SC 746763326 DRPPJSLRKFDVAS-JOCHJYFZSA-N 431.561 5.736 30 20 IKED CCOC(=O)c1ccc(/C=C(\C(=O)Nc2c(CC)cccc2CC)C(=O)c2ccccc2)o1 751514705 OFTHNNIKMKEKQL-XLNRJJMWSA-N 445.515 5.486 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)[C@H](O)c1c(Cl)cccc1Cl 752680324 WBONJWLMMVECRT-VPZZIHKRSA-N 438.380 5.631 30 20 IKED COc1ccc(/C=C(/C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1F 754158849 VDJUTMOVBPZEFZ-SDXDJHTJSA-N 430.479 5.521 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cccc(SC(=O)N(C)C)c2)cc1 756933642 FUTITOQEUPNSMN-UHFFFAOYSA-N 431.517 5.685 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc2ccccc2nc1Br 760176902 GFWIUZQFHIMIKT-UHFFFAOYSA-N 426.314 5.226 30 20 IKED C[C@H](C#N)Oc1ccc(CN[C@@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)cc1 761330271 LJSUILVCKKQOOA-CLOONOSVSA-N 445.563 5.486 30 20 IKED Cc1nc2ccc(C(=O)[C@H](C#N)C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)cc2s1 764088002 RXIRFAUYXDYIRP-BONVTDFDSA-N 432.332 5.111 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccc(Oc2cccnc2)cc1 764753158 GRBVRLRUNIGSEX-UHFFFAOYSA-N 429.263 5.202 30 20 IKED C=CCn1c(-c2cnccn2)nn(CN(C2CC2)[C@@H](C)c2ccc3ccccc3c2)c1=S 764915852 PJVXEXMUDLODGA-SFHVURJKSA-N 442.592 5.393 30 20 IKED C=C(C)Cn1c(SCc2c(C)nn(-c3ccccc3)c2Cl)nnc1-c1ccncc1 765336120 BWJKPKYCIOVHPU-UHFFFAOYSA-N 436.972 5.356 30 20 IKED N#CCCCn1cc(C(=O)Oc2ccc(NC(=O)c3cccs3)cc2)c2ccccc21 767478550 XGWHOYJAGPFTMX-UHFFFAOYSA-N 429.501 5.478 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 780165864 IPIGWVMKQAKJSJ-CQSZACIVSA-N 437.839 5.584 30 20 IKED COc1ccc(SCCCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 781448447 QCELJNRNPDUOPJ-INIZCTEOSA-N 437.348 5.222 30 20 IKED FC(F)(F)c1cc([C@@H](NCCC2OCCCO2)C(F)(F)F)cc(C(F)(F)F)c1 783013689 MTZOZKIXPLTEGG-CYBMUJFWSA-N 425.291 5.070 30 20 IKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(COC(=O)CC(C)(C)C#N)cs1 785097343 ODUFRPKGOZHSLU-UHFFFAOYSA-N 426.325 5.118 30 20 IKED C/C(=C/C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(C(F)(F)F)cc1 787352539 NAYBNUIQJCDREI-PEZBUJJGSA-N 441.453 5.330 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(C#N)cc2Cl)cs1)c1ccc(F)cc1F 788360798 NXHDLTUAUFSBLZ-DAXSKMNVSA-N 443.862 5.527 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccsc3)N(C3CCCC3)C2=O)c1 790745282 AKXGDQZANMDJNF-LJQANCHMSA-N 427.595 5.268 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2C)cc1 793169475 QRDNMDLJLOPQEQ-UHFFFAOYSA-N 449.551 5.409 30 20 IKED C[C@@H](Nc1ccc(OC(F)F)c(C(F)(F)F)c1)C(=O)Nc1ccccc1C(F)(F)F 794892071 KEOHHLUNKBRHQB-SECBINFHSA-N 442.306 5.765 30 20 IKED C[C@H](Oc1ccc(Cl)cc1Br)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797570483 HFYRVHLRIIZQAE-JQWIXIFHSA-N 441.778 5.500 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1 804560424 ALNUGRUTLRFJBP-UHFFFAOYSA-N 426.561 5.338 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H](O)c3ccc(C(F)(F)F)cc3)cc2)c1 806264455 CRSYXMLIIHLFCW-NRFANRHFSA-N 441.409 5.224 30 20 IKED COc1cc(CNCc2cccc(-c3ccc(C#N)s3)c2)cc(OC)c1OCC(F)F 808390913 FXNPMRNUQYUWMG-UHFFFAOYSA-N 444.503 5.238 30 20 IKED CC(C)(C)OC(=O)N1CCCc2c(CNCc3cccc(OCCCC#N)c3)cccc21 808432179 FWBGNPHJCFBMOX-UHFFFAOYSA-N 435.568 5.347 30 20 IKED N#C[C@H](C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)c1ccccc1 916622678 GRYZAVCYLDSFLH-FQEVSTJZSA-N 445.931 5.008 30 20 IKED N#C[C@@H](C(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)C(=O)Nc1ccccc1Cl 916911268 VFKBUCDOOSATSC-CZNFOMIPSA-N 449.776 5.111 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cccc2ccccc12 916919219 UUNOQHQKPNEWBR-FQEVSTJZSA-N 443.890 5.428 30 20 IKED N#C[C@@H](C(=O)CCCc1ncc(-c2ccccc2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 916946287 PMORRRRFMNDZSZ-SFHVURJKSA-N 442.302 5.319 30 20 IKED C=CCOc1ccc(/C=C\C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC 916972283 MJTQYPRIEMRMMO-QRGKHIHXSA-N 430.529 5.582 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC([C@H](O)c3ccccc3)CC2)cc1 919910031 IABJOERPSJZYSZ-RUZDIDTESA-N 427.504 5.328 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)Cc1csc(-c2ccccc2Cl)n1 920101785 IPSSOAOLOLRJFA-QGZVFWFLSA-N 433.920 5.388 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccco3)Cc3ccccc3O)cc2)cc1 921118571 PCMBLKXFDXQWKQ-UHFFFAOYSA-N 439.471 5.883 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 921132961 KJHPTHAXHVDBOR-CYBMUJFWSA-N 439.949 5.829 30 20 IKED CC(C)Oc1cccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 921133706 XCZDJMFGQSWVCA-GOSISDBHSA-N 445.371 6.323 30 20 IKED CCOc1ccc(Cl)cc1C(=O)NC1(c2ccc(NC(=O)C(C)(C)C#N)cc2)CCC1 1785935928 CFZTYPNUONYELV-UHFFFAOYSA-N 439.943 5.036 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)Cc3c[nH]c4ccc(C)cc34)cc2)CCC1 1786782117 SESFUBXJZICKRO-UHFFFAOYSA-N 447.604 5.072 30 20 IKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c(C)o1 1787346148 MOOIGQIVUQTMJW-UHFFFAOYSA-N 427.504 5.024 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)Nc3ccccn3)cc2)CCC1 1789663845 RXPRLCGGCMLHCW-IBGZPJMESA-N 434.584 5.009 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)C4CCC(F)(F)CC4)CCC3)cc2)cc1 1790286730 DGWMMZXKABOMQR-UHFFFAOYSA-N 437.490 5.131 30 20 IKED C#CC(=O)NC1(c2ccc(NC(=O)[C@H]3CCCc4c3[nH]c3ccc(Cl)cc43)cc2)CCC1 1790465388 ZUKMFHNQANZWAZ-FQEVSTJZSA-N 445.950 5.009 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3cc4cccnc4cc3F)CCC2)cc1 1791249654 WYCOSYLPWCNERI-GOSISDBHSA-N 445.538 5.263 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@@H]4c4ccccc4)cc3)CCC2)cc1 1791531946 AOCOZYXEJRGBIP-JWQCQUIFSA-N 435.527 5.110 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCC2CCCC2)[C@@H]1c1cccnc1 1802498914 YLRPLMFBUUCXFU-LADGPHEKSA-N 425.617 5.050 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cc(C(C)(C)C)oc3C)C2)CC1 1808383174 CLVPSFKQCBMSRJ-UHFFFAOYSA-N 442.644 5.723 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(Cl)cc3)C2)CC1 1809259623 RLMCNESSLJBHDT-UHFFFAOYSA-N 431.020 5.106 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccccc2Cl)CC1 1828822583 JPZACZOYEUXTKG-VWNXMTODSA-N 443.031 5.271 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)c(OC)c2)CC1 1830068132 RSMQTKLUCAWMSJ-QHCPKHFHSA-N 440.628 5.229 30 20 IKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2-c2ccc(C)cc2)CC1 1830674484 CACBVNXMPHCRGZ-HHHXNRCGSA-N 442.603 5.309 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)CC1 1831378102 RPIPXXUCTLHXPI-VMXMFDLUSA-N 442.566 5.187 30 20 IKED N#CCCC(=O)N1CC2(CCCN2C(=O)CCCCCCCCCCc2ccccc2)C1 1847029601 BYLFOIQZCQIYEZ-UHFFFAOYSA-N 437.628 5.247 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1csc(-c2ccc(C)cc2)n1 17365760 VBBPOWRRGYWFLH-UHFFFAOYSA-N 443.322 5.371 30 20 IKED Cc1cc(C(=O)/C(=C(/S)NCc2ccccc2)[n+]2ccc(C(C)(C)C)cc2)c(C)s1 22730831 ZKGATLNKUZDHOH-UHFFFAOYSA-O 437.654 5.679 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(\S)Nc2cccc3ccccc23)c1 28782891 WEJYMAPOMFFQOL-UHFFFAOYSA-O 425.577 6.103 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nc2sccc2c1=O 36800658 BSBFPKGZUVXQHY-SNVBAGLBSA-N 440.377 5.070 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2cccc3ccccc23)c1 106878194 GOQVBHACTXGTBW-UHFFFAOYSA-O 431.968 6.140 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1coc(-c2ccccc2)n1 255930878 POZQQIJIWLTFIQ-UHFFFAOYSA-N 438.940 5.644 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 302221746 KOAJRCHBDIDXQU-UHFFFAOYSA-N 430.348 5.683 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)COc3ccc(F)cc3F)cc2Cl)c1 303174652 JWALPIFDDYXOJC-UHFFFAOYSA-N 428.822 5.086 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N(C[C@@H]2CCCO2)C2CCCC2)cc1 429050941 VCQZZKCKJGPXQS-DEOSSOPVSA-N 433.552 5.287 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1 433851229 AVFZNBHMUUQELK-UHFFFAOYSA-N 447.604 5.743 30 20 IKED N#CCC[C@H](NC(=O)c1ccc(COc2ccc(Br)cc2)o1)c1ccccc1 439664129 UFWNXXGHEUULNV-FQEVSTJZSA-N 439.309 5.396 30 20 IKED O=S(=O)(Cc1cccc(NCC#Cc2ccc(C(F)(F)F)cc2)c1)C1CCCCC1 443537821 BBRYBBGPUPVRJE-UHFFFAOYSA-N 435.511 5.417 30 20 IKED CCCN(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@H](c1ccc(F)cc1)c1cccnc1 447459737 KQXHTEVADNJCFC-RUZDIDTESA-N 440.478 5.389 30 20 IKED COc1ccc(-c2ncc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)s2)cc1 463103841 JASMNNLDPFHSFB-UHFFFAOYSA-N 442.500 5.438 30 20 IKED Cc1nn(C)c(Sc2ccccc2)c1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 464397242 HUYVGYJTPSIRBS-KRWDZBQOSA-N 431.348 5.181 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4cc(C(F)(F)F)ccn4)cc3)o2)c1 464431426 VKHFBZKHQNOUNH-IBGZPJMESA-N 448.404 5.616 30 20 IKED C[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(C(F)(F)F)cc1 470554870 DMJWNGAZDSDHMK-HNNXBMFYSA-N 444.457 5.171 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 472441046 UPYMBOGDPYJLCF-ZCYQVOJMSA-N 442.515 5.091 30 20 IKED C[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1cccc(NC(=O)Cc2ccccc2F)c1 474911822 YJDARKKLTJJCRH-SFHVURJKSA-N 443.522 5.299 30 20 IKED C[C@H](Cc1ccc(Br)cc1)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 479281044 LXEQYJUTHSNVJS-MRXNPFEDSA-N 426.358 5.075 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C 480391742 INAZOBIFHQCMLW-UHFFFAOYSA-N 439.968 6.182 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4nccc5ccccc45)cc3)o2)cc1 483242936 YHAZMKFFUBLIMV-QHCPKHFHSA-N 430.467 5.750 30 20 IKED N#CC[C@@H](CC(=O)N(Cc1ccccn1)c1ccc(Br)cc1)c1ccccc1 483357986 LVYGRWBLEOXKQP-IBGZPJMESA-N 434.337 5.465 30 20 IKED C=CCSc1ccccc1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 485452640 DBCDZGNTYYSPKR-UHFFFAOYSA-N 446.410 5.205 30 20 IKED CC(C)CC(=O)Nc1ccc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)cc1F 486563537 RTXZUBUVDWVERI-UHFFFAOYSA-N 425.548 5.135 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cccc(NC3CCCC3)c2)nnc1-c1ccco1 487756844 APZQIMIVFPWSBL-UHFFFAOYSA-N 437.569 5.200 30 20 IKED Fc1cccc(Cc2noc(CN[C@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)n2)c1 488991916 INZPEWMEQJYSPD-MRXNPFEDSA-N 447.354 5.602 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1noc(-c2ccccc2)n1 490569708 YRYXXEBHWCLIRP-QGZVFWFLSA-N 440.528 5.392 30 20 IKED C=CCCc1ccccc1NC(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 505034255 BZCFFSFSCKIGNI-NRFANRHFSA-N 445.485 5.309 30 20 IKED COc1ccc(-c2cc(NC(=O)N[C@H](C)c3ccc(C#N)cc3)ccc2OC(F)F)cc1 505317964 LAQOERYPKWSYHT-OAHLLOKOSA-N 437.446 5.718 30 20 IKED N#C[C@H](NC(=O)c1cccc(-c2cscn2)c1)c1ccc(OCc2ccccc2)cc1 505319652 HMAMAXIPKPFCKF-QHCPKHFHSA-N 425.513 5.384 30 20 IKED CCOc1cc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc(OCC)c1OCC 505329272 CBENTGQLOIGSCG-INIZCTEOSA-N 437.323 5.184 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1ccc(OC)c(Br)c1 505623624 RELCCRWMTYUKGD-LBPRGKRZSA-N 443.794 5.631 30 20 IKED CO[C@@H](CSCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)cc1 509132173 OGDBMWKLBPRQJA-KXBFYZLASA-N 435.014 5.794 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3cc(C#N)ccc3OC(C)C)c3c(C)noc3n2)c(C)o1 509563924 JQKDURFWSLADBJ-UHFFFAOYSA-N 430.464 5.319 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 510540023 SDUVTYYBDLEMRL-QFIPXVFZSA-N 426.520 5.055 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc1 510670858 YLFHMCCJVGARNJ-OAQYLSRUSA-N 433.533 5.625 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1 511362505 LDXUVDXLPRWKAQ-VWLOTQADSA-N 445.494 5.076 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccnc1OCC(F)(F)F 512849229 CGWZGJBJEPUEPA-UHFFFAOYSA-N 427.382 5.247 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)NCc2ccc(OCc3ccccn3)cc2)c1 513509013 VSHVPBPZBRLHPI-UHFFFAOYSA-N 449.510 5.041 30 20 IKED CCOc1ccccc1[C@@H](CC)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 513982459 CYINKKWSSBCJND-XMMPIXPASA-N 443.547 6.003 30 20 IKED C=CCN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cs1 514650101 ORWMVNPESPPPCG-HNNXBMFYSA-N 425.535 5.418 30 20 IKED COCCCN(Cc1ccncc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 517380895 SJIUUHQBDUXXFR-QHCPKHFHSA-N 448.954 5.461 30 20 IKED C[C@@H](Cc1cccc(Br)c1)NC(=O)Nc1ccccc1S[C@H](C)CC#N 518755344 GCCAJELGLQIWCM-LSDHHAIUSA-N 432.387 5.596 30 20 IKED Cc1c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cccc1C(=O)Nc1ccccc1 518910104 YVIPKPCEDPGZDM-UHFFFAOYSA-N 448.482 5.559 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccc(F)cc3)C3CCC3)cc2)cc1 520644154 KAHZMKAOKNOLBH-XMMPIXPASA-N 443.478 5.086 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)c1 520936721 HGYYURKHTWBIHT-UHFFFAOYSA-N 437.503 5.638 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(Oc2ccccc2)cc1 523969705 AWYVWEAYMDILER-SFHVURJKSA-N 427.504 5.096 30 20 IKED CCc1c(C)sc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1C#N 524330764 BKGNXPPNYHTMPA-UHFFFAOYSA-N 444.563 5.567 30 20 IKED O=C(N[C@@H](Cc1ccccc1)c1ccccc1F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 525443587 BBRAUENWBLYFHF-KRWDZBQOSA-N 448.382 5.636 30 20 IKED Cc1cc(OC(C)C)ccc1NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 527109630 XUTYMSQSTLEXKT-UHFFFAOYSA-N 429.476 5.023 30 20 IKED COc1ccc(C[C@H](C)CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC 534964983 HKMNPBUAILLWPC-IRXDYDNUSA-N 427.570 5.098 30 20 IKED C[C@@H](CCO)C1(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCC1 538343890 PXCDFQVUFBSJJS-UWJYYQICSA-N 425.960 5.306 30 20 IKED CCOCCOCc1cccc(NC(=O)c2ccccc2Oc2ccccc2C#N)c1C 538662302 PDVXEYQOIZFPBK-UHFFFAOYSA-N 430.504 5.464 30 20 IKED Cc1cc(NC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)nn1CCC#N 540813309 DRHOPKSZVYZJDQ-FQEVSTJZSA-N 428.323 5.323 30 20 IKED CCNC(=O)c1ccc(C)c(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 541065215 GFRBWSIDYVPZKH-GOSISDBHSA-N 426.520 5.166 30 20 IKED C[C@H](NC(=O)N1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O)c1ccc(-c2cccc(C#N)c2)cc1 542470842 SASNYNNSLJJVKU-DWKCFIRNSA-N 431.580 5.257 30 20 IKED COc1ccc(OC)c(-c2csc(NC(=O)CSc3cccc(Cl)c3C#N)n2)c1 543031122 CIYCIIJKDRYODV-UHFFFAOYSA-N 445.953 5.083 30 20 IKED COc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OC(C)C 546920477 DQPHPOUEMBFFIS-UHFFFAOYSA-N 432.545 5.899 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N(C)Cc1csc([C@H](C)OCC)n1 558983634 ZRMMTEBWLACZGV-KRWDZBQOSA-N 448.596 5.260 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(N(C)c2ccccc2)CC1 559022908 VMSRBAJFGLGGAZ-UHFFFAOYSA-N 440.595 5.032 30 20 IKED N#CCCC[C@@H](NC(=O)C(=O)Nc1cccc(COC2CCCCC2)c1)c1ccccc1 560283257 VUYYTOHAQKQEDA-XMMPIXPASA-N 433.552 5.026 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1 570303117 WANVYWSTKXBGGC-UHFFFAOYSA-N 439.939 5.152 30 20 IKED COc1cc(OC)cc(-c2cccc(NC(=O)c3c(Cl)cc(C#N)cc3Cl)n2)c1 590010173 SEDBVOCSTZSXSJ-UHFFFAOYSA-N 428.275 5.197 30 20 IKED Cc1cccc2c1C(=O)N(CCc1ccccc1)[C@@H](c1cn(C)nc1-c1ccc(C#N)cc1)N2 602761766 UHKBOAOPOCCXOK-MHZLTWQESA-N 447.542 5.076 30 20 IKED N#Cc1cc(NC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)ccc1OCC(F)(F)F 603660536 WQXKDVVOFVFDLW-UHFFFAOYSA-N 440.425 5.302 30 20 IKED O=C(c1ccc(Oc2ccc(F)cc2F)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 604962141 WSMPBYWMTNPPEG-UHFFFAOYSA-N 439.302 5.714 30 20 IKED Cc1cc(Br)cc(Cl)c1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 609057707 OEFBYJUDBWSYCN-UHFFFAOYSA-N 445.700 5.707 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C3(c4ccc(F)cc4)CCOCC3)cc2F)c1 609104447 FRQCRCWLJUJAQK-UHFFFAOYSA-N 448.469 5.102 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(OCC(F)(F)F)cc3)cc2F)c1 609104816 PBNDNYDWTXDJDI-UHFFFAOYSA-N 444.384 5.470 30 20 IKED CC(C)Oc1ccc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)c(C(F)(F)F)c1 609212720 QNYVGNKKQWUXAJ-UHFFFAOYSA-N 446.473 5.108 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)NCc3cccc(OCc4ccccn4)c3)c2)c1 609642463 HPBKBCIZTRNVPZ-UHFFFAOYSA-N 449.510 5.041 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)c2)cc1 609662916 DJBLNDBSVREQDX-QFIPXVFZSA-N 436.298 5.439 30 20 IKED N#Cc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)cc1C#N 610111872 VPBOSJCVDDCBOX-UHFFFAOYSA-N 437.890 5.247 30 20 IKED CC(C)(C)CC(=O)Nc1ccc(CC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 610170474 FVMPFRCQRLTZSX-UHFFFAOYSA-N 446.576 5.161 30 20 IKED CCc1ccc(OCc2nnc(SCc3ccnc(C#N)c3)n2Cc2ccccc2)cc1 610954910 KUSBNYGDKXZGER-UHFFFAOYSA-N 441.560 5.027 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)nnc1-c1ccoc1C 613433481 BHBDRRGPOMWBCS-AEFFLSMTSA-N 446.576 5.544 30 20 IKED CO[C@@]1(C(F)(F)F)CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 614931045 CQTHKZSNQXPDSR-QFIPXVFZSA-N 447.457 5.021 30 20 IKED N#C[C@H](C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1nc2cc(F)ccc2s1 618787534 MHKSQPGRNHHRBQ-GOSISDBHSA-N 447.447 5.413 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2cccc(C)c2C)C(C)C)nnc1-c1ccc(F)cc1 639430815 UEDCOXXENZHHIR-NRFANRHFSA-N 438.572 5.642 30 20 IKED C=CCn1c(SCc2nc(-c3ccccc3)oc2C)nnc1[C@@H]1COc2ccccc2O1 648028260 KMOUWAVGEKCIAE-NRFANRHFSA-N 446.532 5.232 30 20 IKED O=C(Nc1ccc(Cl)cc1OC(F)F)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 680832610 NNASLPQNSVZELQ-OCAPTIKFSA-N 426.691 5.146 30 20 IKED Cc1c(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc(C(F)(F)F)c1F 682372998 DPSRNFJAOFMFGW-IUCAKERBSA-N 425.266 5.356 30 20 IKED CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 682425812 ZOQHCKCGRFXYJF-STQMWFEESA-N 435.330 5.473 30 20 IKED C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 685548285 FVYADQVHQPWPCW-QAPCUYQASA-N 438.469 5.302 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H](C)Sc1ccc(Br)cc1 726754294 CVXMNEGHEXDVDP-OAHLLOKOSA-N 440.366 5.065 30 20 IKED C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1Cl 727490815 YXEAURNKFDTOIY-XDHOZWIPSA-N 429.950 5.513 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C)OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 728668306 SDPUUXZYZQJZRG-GOSISDBHSA-N 442.515 5.659 30 20 IKED CC[C@H](C)Oc1ccccc1/C=C/C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 729892569 BXXANOSVWBWAIO-BPRXJUMUSA-N 427.529 5.749 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@@H](Oc2cccc(C(C)C)c2)c2ccccc2)n1 730692496 YYPSJXSMCCHGDB-REWPJTCUSA-N 448.544 5.440 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(F)c(Cl)cc1Cl 731068775 FDLUIDAQRBCWKQ-LLVKDONJSA-N 441.311 5.180 30 20 IKED CC(=O)C1=C(c2ccc(C)cc2)NC(=S)N[C@@H]1c1ccc(Oc2cccnc2)c(C)c1 732748008 XNENGWWCMZEJGX-XMMPIXPASA-N 429.545 5.010 30 20 IKED C=CC[C@@H](NC(=O)N[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1)c1ccncc1 734659873 IGCRCYAXVVWNMN-FGZHOGPDSA-N 426.347 6.094 30 20 IKED C[C@@H](c1ccccc1)N1CCC(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 734930785 YOSPWLTWUUHAEE-KDYSTLNUSA-N 438.575 5.689 30 20 IKED COc1ccccc1-c1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1 741454511 FWCTVXFETRJVFV-UHFFFAOYSA-N 434.952 5.782 30 20 IKED COC1CCN(c2ccc(NC(=O)N[C@H](C)c3cccc(C#N)c3)cc2C(F)(F)F)CC1 743143862 ROJAVNMGHCTQHY-OAHLLOKOSA-N 446.473 5.075 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H](O)c2ccc3ccccc3c2)cc1F 743238793 VVCNUNGBSQVIKK-HSZRJFAPSA-N 441.462 5.498 30 20 IKED C[C@@H](CC(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1ccccc1C(F)(F)F 745223201 PCZJVSKUAQHVMU-INIZCTEOSA-N 442.437 5.493 30 20 IKED C=CCOc1ccc(/C=C/C(=O)O[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc1OC 746140635 OHBNXPXXBHWTCO-SLZMIMFISA-N 440.883 5.281 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1 746256435 RSESVTYQHQEJEG-GBXCKJPGSA-N 448.469 5.357 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl 746486579 YVUYRISMDUFGSC-UHFFFAOYSA-N 433.276 5.458 30 20 IKED O=C1N/C(=N/C2CCCC2)S/C1=C\c1cnc(-c2ccc(Br)cc2)s1 751525523 WTCNKFJVBBZIDK-DHDCSXOGSA-N 434.384 5.075 30 20 IKED Cc1csc(SCc2ccc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cc2)n1 752033756 CKKMMDIHUNDCPC-YADHBBJMSA-N 433.602 5.656 30 20 IKED COc1ccc(N(C(C)=O)c2nc(C=NOc3ccccc3C(F)(F)F)cs2)cc1 754712311 LFXXIPWHSMLDTH-UHFFFAOYSA-N 435.427 5.268 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2cn(-c3ccc(Cl)cc3Cl)nn2)S1 755571406 AOCNEVGSFWLJQI-RQZCQDPDSA-N 444.347 5.083 30 20 IKED CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 755775006 DWVFLLUIZRVLAZ-UIOOFZCWSA-N 427.548 5.393 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)/N=C/c1ccc(O)c(O)c1O 757524845 CEEMVNULLSTRRY-LUKZVCJISA-N 433.327 5.178 30 20 IKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(C3CC(F)(F)C3)C2=O)cc1 757875417 SKJNXPUGLVUJTP-IBGZPJMESA-N 443.519 5.061 30 20 IKED CN(Cc1ncc(-c2ccccc2)[nH]1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 763627122 HGPHDOQPEVRIJX-UHFFFAOYSA-N 427.533 5.018 30 20 IKED CC(C)(C)Cc1nc(-c2ccc(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)cc2)no1 764302103 MXNOHIASQVJWNL-UHFFFAOYSA-N 439.859 5.011 30 20 IKED CC(C)n1cc2c(n1)[C@@H](NC(=O)N[C@@H](C)c1ccc(-c3cccc(C#N)c3)cc1)CCC2 765892148 HQWDCHMGDHDZPL-UUOWRZLLSA-N 427.552 5.440 30 20 IKED C=CCOc1cccc(NC(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(OC)c2)c1 765971373 ZCUQFNHOBIMIMQ-VWLOTQADSA-N 432.520 5.028 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCC(=O)c2ccc3c(c2)OCCO3)cc1 766632474 QPROGGBVMUEZHO-QHCPKHFHSA-N 440.499 5.105 30 20 IKED COc1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1NC(=O)OC(C)(C)C 767583398 ALTWOCHFKIZUHI-UHFFFAOYSA-N 448.523 5.553 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 780158031 KPLNFIRCVCQGRP-QGZVFWFLSA-N 439.471 5.157 30 20 IKED CCCc1c(NC(=S)Nc2cc(OC)ccc2Cl)cnn1-c1cccc(C#N)c1 783951688 FRPZGCSRJOXSIF-UHFFFAOYSA-N 425.945 5.167 30 20 IKED C=C(Cl)CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccsc1 790733312 SIMBDYLAMPCBKC-KRWDZBQOSA-N 433.986 5.078 30 20 IKED C[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 795979545 CTQTYJJMSQHCFY-ICSRJNTNSA-N 448.519 5.076 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@@H]1COC(=O)NC1CCCC1 809877823 RLZIXEJSLLVDCL-PKOBYXMFSA-N 444.601 5.136 30 20 IKED C[C@@H](CC(=O)N[C@@H](CCCC#N)c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 817319224 MDZLRABLELAYHO-UGKGYDQZSA-N 427.589 5.211 30 20 IKED CC(C)(C)OC(=O)NC(C)(C)c1noc(-c2ccc(Sc3ccccc3C#N)cc2)n1 904761026 CXIPGRXLNQYJBA-UHFFFAOYSA-N 436.537 5.519 30 20 IKED Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)C2)cc1 915086959 YQFCCOIEMHCLKP-RSXGOPAZSA-N 437.543 5.141 30 20 IKED Cc1ccc(NC(=S)Nc2ccccc2C#N)cc1NC(=S)Nc1ccccc1C#N 915994038 CZBCYGANGIMLDF-UHFFFAOYSA-N 442.573 5.356 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=S)Nc3ccc(Cl)cc3Cl)c2)cc1 916026263 RZUJJQWBTHVFRV-UHFFFAOYSA-N 442.371 6.447 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(C2CCCC2)C1=O)Nc1ccccc1F 916212030 UBMULICNHDSALV-IBGZPJMESA-N 445.947 5.382 30 20 IKED CC[C@@H](C)c1ccc(N=C2NC(=O)[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)S2)cc1 916232660 LGEKJOFCPKRZJL-KZULUSFZSA-N 433.936 5.241 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@H](C)Sc1ccc(Cl)cc1 916901599 LYCXIJCOTOXOIE-SWLSCSKDSA-N 437.348 5.139 30 20 IKED Cc1ccc(-c2cnc(CCC(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1 916944882 PFZVFIQVVFPROP-SFHVURJKSA-N 442.302 5.237 30 20 IKED N#C[C@@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1nnc2n1CCCCC2 917505653 RGQODJWTYVJNNF-NRFANRHFSA-N 441.510 5.101 30 20 IKED Cc1ccc(N2CCCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)cc1 918371437 ZZEFDHCYVPXJFP-UHFFFAOYSA-N 441.600 5.512 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 920106760 ZYTXJIUQDHNEEJ-ZAHGZRRWSA-N 428.488 5.949 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)cc1Cl 920111256 KEUNHUSWPPGQCB-BLLLJJGKSA-N 438.833 5.209 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cnccc4[nH]3)CCC2)cc1 1789626255 HGEWZUCRVZANNQ-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccc(Cl)cc3)CCC1)C2 1798337632 FEXKNHDODLWROT-BJESRGMDSA-N 441.015 5.168 30 20 IKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)[C@H]1c1cccnc1 1803091218 YTSOEEQCCQMWTO-ZUUNWQIRSA-N 437.628 5.072 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)CC1 1828829323 ZYMVVQMOCNFDRR-BVAGGSTKSA-N 447.623 5.478 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(F)cc2F)CC1 1830511403 QSRKYMWLOYGZSW-FDDCHVKYSA-N 448.529 5.106 30 20 IKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 1832828323 HGKKVPUKRMUYTJ-UKILVPOCSA-N 443.031 5.113 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1)=C(/S)Nc1ccccc1Cl 10825495 PBAAHBXXUGVTJQ-UHFFFAOYSA-O 430.380 5.894 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(CC)c2)[n+]2ccc(N(C)C)cc2)cc1 14872214 YXIJAFMRWDZFRQ-UHFFFAOYSA-O 432.613 5.216 30 20 IKED N#CCSc1ccccc1NC(=O)COC(=O)c1c2ccccc2cc2ccccc12 22140524 XYRXRZZTRIVCBK-UHFFFAOYSA-N 426.497 5.404 30 20 IKED C[C@H]1CN(Cc2csc(/N=C(\O)c3cc4c5ccccc5n(C)c4s3)n2)C[C@@H](C)O1 22297046 LEWYLLKTDPNFLZ-OKILXGFUSA-N 440.594 5.095 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cc(C)ccc2C)cc1 22729657 CUYNNRGQARYFTB-UHFFFAOYSA-O 425.524 5.482 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)cc12 60477145 PNSCSBFKOJLFPI-MRXNPFEDSA-N 431.908 5.415 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccccc2Cl)c1)c1nc2cc(C(F)(F)F)ccc2s1 64792044 XWAVUHVVFMZXPI-CYBMUJFWSA-N 446.841 5.644 30 20 IKED Cc1cc(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)c(C)n1CC(F)(F)F 117717037 ZFARPJVZUDPAIM-UHFFFAOYSA-N 428.304 5.122 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1NC(=O)c1ccccc1 195662606 CCVHXETULAQEIS-HXUWFJFHSA-N 438.512 5.256 30 20 IKED COc1cc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)ccc1OCc1ccccc1 208087984 FSVUAMGNOYDCNY-BENRWUELSA-N 429.472 5.127 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)cc1 261473722 QQECZMCTIKCSTE-UHFFFAOYSA-N 445.519 5.369 30 20 IKED C[C@@H]1CN(Cc2ccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)cc2)C[C@@H](C)O1 303342573 LVTYHGCYTOJWJV-WOJBJXKFSA-N 441.531 5.212 30 20 IKED Cc1ccc2c(C3=CCN(C(=O)c4cnn(CCC#N)c4-c4ccccc4)CC3)c[nH]c2c1 429594986 TUGXNLMCLVAMHX-UHFFFAOYSA-N 435.531 5.183 30 20 IKED C[C@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H]1OCCc2sccc21 431346821 ABSGUNRXEUGLQJ-BXKMTCNYSA-N 432.545 5.282 30 20 IKED Cc1cnc(C2CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)s1 432489972 NUFOQTHBUPIAQD-UHFFFAOYSA-N 433.602 5.635 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)c1cc(C#N)oc1C 436184263 LCFZYEGAUZQVTP-JTQLQIEISA-N 430.327 5.145 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC1(c2cccc(F)c2)CCOCC1 437836586 CXBZEZFVGLKMHL-UHFFFAOYSA-N 445.494 5.626 30 20 IKED Cc1nnc(SCc2c(C(=O)N[C@@H](CCC#N)c3ccccc3)oc3ccccc23)s1 440040457 ATOOPMCZEXBBGN-IBGZPJMESA-N 448.573 5.660 30 20 IKED O=C(Nc1cccc(CCC(F)(F)F)c1)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 440694357 CGWIBRCBDZSPAT-UHFFFAOYSA-N 446.326 5.172 30 20 IKED C=CCC[C@H](NC(=O)N1CCCN(c2nccs2)CC1)c1ccc(C(F)(F)F)cc1 441543594 NUMBDFIJNGIYGC-SFHVURJKSA-N 438.519 5.091 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1ccc(Br)s1 443329316 RTQUHHJJBGSGDA-CHWSQXEVSA-N 438.416 5.194 30 20 IKED C=CCN(Cc1cccs1)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCOC1 461561582 BFUSNYBQLWLPID-IBGZPJMESA-N 440.638 5.169 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2sc(C(F)(F)F)nc2C)cc1 462025462 FOTVDSCTWPGABV-UHFFFAOYSA-N 433.411 5.395 30 20 IKED C[C@H](C#N)CSc1ccccc1NCc1ncc(-c2ccccc2Br)o1 462241174 YWBQIKQYXQDEMB-CQSZACIVSA-N 428.355 5.968 30 20 IKED COc1cccc([C@H](NCC(=O)Nc2cc(Cl)ccc2C#N)c2ccccc2Cl)c1 462250132 XYCXSPHNMPWBQG-QHCPKHFHSA-N 440.330 5.191 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 464927042 RIQJVIMLABSMAG-KRWDZBQOSA-N 425.488 5.035 30 20 IKED CC(=O)N(c1nc(CSc2ccc(C#N)cc2Cl)cs1)c1cccc(C)c1C 465390201 WZPTXXCJZKLWAI-UHFFFAOYSA-N 427.982 6.262 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nc(C(C)(C)C)no1 466444002 PPXHAJSVFSKXQM-ZDUSSCGKSA-N 439.903 5.567 30 20 IKED Cc1ccc(NC(=O)C[C@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1Cl 468773533 ATUAGZGBMIONQZ-KRWDZBQOSA-N 438.959 5.061 30 20 IKED Cc1cc(Br)cc2c(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)coc12 471843030 GEFFLWXPNQQBST-UHFFFAOYSA-N 439.309 5.059 30 20 IKED Cc1nnc([C@@H]2Cc3ccccc3CN2CCC(C#N)(c2ccccc2)c2ccccc2)o1 472754781 QUUNSLFSSNJLBU-SANMLTNESA-N 434.543 5.377 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 473628424 JISLAKRCJUQTJD-QFQXNSOFSA-N 448.636 5.458 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)[C@H]1CCC[C@@H](C(F)(F)F)C1 474262121 DLIOBPOOPPWVKI-IACUBPJLSA-N 435.330 6.184 30 20 IKED CCN([C@H](c1ccc(Cl)cc1)c1ccccn1)S(=O)(=O)c1cc(C#N)ccc1Cl 475781209 QMTRDVAQTVJKQD-OAQYLSRUSA-N 446.359 5.060 30 20 IKED C=CCn1c(S[C@@H](C)c2ncc(C(C)(C)C)o2)nnc1[C@H]1COc2ccccc2O1 476506980 MUJQKXYUKMVGAJ-WMLDXEAASA-N 426.542 5.115 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@@H](C)c1ccccc1 476652393 BMGUJRBZLLNLGX-STSQHVNTSA-N 445.950 5.242 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 477542721 NSSLYLBFFLCKIG-GJZGRUSLSA-N 432.952 5.274 30 20 IKED C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 479553819 FBBSDWMUCYGNIH-BZNIZROVSA-N 427.348 5.214 30 20 IKED N#Cc1cnc(Sc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)c(Cl)c1 481822934 ILUSEMVVSXVXDI-UHFFFAOYSA-N 428.304 5.311 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cccc(OCC(F)(F)F)c1 482554064 SNHZGQPYICBRGB-UHFFFAOYSA-N 442.462 5.581 30 20 IKED COc1ccc(OC)c(CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C2CC2)c1 482562057 MRUYPQXFXCLLFI-UHFFFAOYSA-N 428.488 5.173 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC2(c3ccc(Cl)cc3)CC2)cc1 483798936 AINNQUFEPJWUAB-UHFFFAOYSA-N 431.923 5.796 30 20 IKED Cc1c(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)sc2ccc(C#N)cc12 483984310 SOOCNLIROCJMGO-CYBMUJFWSA-N 435.496 5.577 30 20 IKED O=C(CN[C@H](c1ccc(F)cc1)C(F)(F)F)Nc1c(Cl)cccc1C(F)(F)F 484881272 MMEVWVIOMNMTGD-OAHLLOKOSA-N 428.735 5.330 30 20 IKED Cc1ccc(C)c([C@H](C)N(C)C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 485319794 ORWPMQLGXHPBBQ-IBGZPJMESA-N 427.504 5.126 30 20 IKED C=CCC[C@@H](C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC)c1ccccc1 487585149 DRJPZDBLXWPTQJ-OAQYLSRUSA-N 444.531 5.645 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1cccs1 489459513 GIYXFBZUUWYOLN-GFCCVEGCSA-N 440.510 5.004 30 20 IKED CCn1c(NC(=O)c2ccccc2SCc2csc(C)n2)nc2cc(C#N)ccc21 490767889 IDNCIWUSJOIGLA-UHFFFAOYSA-N 433.562 5.237 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1 504728848 AFVHZKNRXIVYPX-UHFFFAOYSA-N 437.883 5.205 30 20 IKED N#Cc1ccc(Oc2ccc(-c3nc(-c4cccc(CN5CCCCC5)c4)no3)cc2)nc1 504809372 JTOCUAOJZRZEGZ-UHFFFAOYSA-N 437.503 5.448 30 20 IKED Fc1cccc(F)c1[C@H](NCc1nc(-c2cccc(C(F)(F)F)c2)no1)C(F)(F)F 506319932 GWYFZOVPVQYCNG-HNNXBMFYSA-N 437.290 5.427 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 508129802 CPBPVSLRMTVFOF-RTWAWAEBSA-N 428.454 5.262 30 20 IKED N#Cc1ccc(N2CCC(C(=O)NC3(c4ccc(Cl)c(Cl)c4)CC3)CC2)c(F)c1 508582871 OLZNFDGTKYIVNS-UHFFFAOYSA-N 432.326 5.026 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1 509664223 GXJLZTLVZYNYNY-UHFFFAOYSA-N 429.476 5.794 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCC2(c3ccccc3)CCOCC2)cc1 510667494 PAKKDZHJFGNDRU-UHFFFAOYSA-N 427.504 5.220 30 20 IKED Cc1ccc(OCc2nc(CC(=O)Nc3ccccc3S[C@H](C)CC#N)cs2)cc1 518240373 XGHNYXUDIHRGTN-QGZVFWFLSA-N 437.590 5.606 30 20 IKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c12 518660497 ZKBRDFMARYUXNT-MRXNPFEDSA-N 441.560 5.448 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)c3cc(F)c(Br)cc3Cl)n2)cc1 519575271 JKKVTSDVBRRZFN-UHFFFAOYSA-N 436.693 5.489 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1csc(-c2ccccc2Cl)n1 520929024 MXPYYXYUWUSOQU-CQSZACIVSA-N 427.982 6.039 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](CC1CCCCC1)C(C)(C)C 522439538 XLOYDMYVDVCVIG-UTKZUKDTSA-N 429.630 5.521 30 20 IKED C[C@H](NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 522753195 BOIYUOPNKHIPEK-XUEUYAKLSA-N 444.501 5.020 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1 523880796 XVKPSBRSJRLZTP-UHFFFAOYSA-N 431.879 5.383 30 20 IKED COc1ccc(-c2ccc(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)c(F)c2)cc1 527477362 MDHRDXBZNOACCC-UHFFFAOYSA-N 430.479 5.057 30 20 IKED C=CCN(Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1)CC1CCCCC1 533758853 NMSCBIPABSTVFW-UHFFFAOYSA-N 425.642 6.321 30 20 IKED CCc1nccn1C[C@H]1CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 537333420 DLYCLHAMVNQPGA-IFMALSPDSA-N 447.970 5.451 30 20 IKED O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 542568120 DXTSFIAYSLTBNL-SJORKVTESA-N 435.339 5.513 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc(Cl)ccc2SC2CCCC2)n1 543573600 DHLOHFXEGHALQG-OAHLLOKOSA-N 434.970 5.498 30 20 IKED C[C@@H](NC(=O)N1CCC([C@@](C)(O)C(F)(F)F)CC1)c1ccc(-c2cccc(C#N)c2)cc1 545945479 PRQHMXZJWOKZQM-WAIKUNEKSA-N 445.485 5.021 30 20 IKED C=CCNC(=O)c1cccc(-c2noc(/C=C\c3ccc(Oc4cccnc4)c(F)c3)n2)c1 547064068 ZVRQYTXDWCRFLL-LUAWRHEFSA-N 442.450 5.149 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C 548955384 FJGMPQAQRMJPFE-AUSIDOKSSA-N 436.625 5.361 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(-c4ccc5c(c4)CCO5)c3)CC2)cc1 552837909 BYHJNHJYAPEYEB-UHFFFAOYSA-N 439.515 5.235 30 20 IKED Cc1ccc(SCc2nnc(N3CCC(CC#N)CC3)n2CCc2ccccc2)cc1 555188551 NBOWYJYHXPRCQN-UHFFFAOYSA-N 431.609 5.252 30 20 IKED CN(CCOCc1ccc(C#N)cc1)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 574670185 XYFAQTAEGVUJCP-UHFFFAOYSA-N 445.906 5.164 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC(c4cccc(F)c4F)CC3)cc2)ccn1 578582644 SSVAOBWNIIFGLW-UHFFFAOYSA-N 434.446 5.435 30 20 IKED N#Cc1ccc(OC2CCN(Cc3ncc(-c4ccccc4Br)o3)CC2)cc1 584264649 KTRQLGBLHCVNFA-UHFFFAOYSA-N 438.325 5.019 30 20 IKED N#CCCn1ncc(-c2nc(-c3cccc(OCc4cccnc4)c3)no2)c1-c1ccccc1 584442532 UCLJPRAHDWCBAO-UHFFFAOYSA-N 448.486 5.155 30 20 IKED C[C@@H](NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1cccc(C#N)c1 585745460 YFHZKFCGENNJBN-VFNWGFHPSA-N 431.458 5.105 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCc1c(C)nn(CC(C)C)c1C 603533258 XTXZAOYPLJUUAS-UHFFFAOYSA-N 446.570 5.641 30 20 IKED CC(C)OCc1ccccc1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 603831534 LUWLNDZTNYODPI-UHFFFAOYSA-N 443.547 5.578 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Br)cc3Cl)o2)cc1 609055212 VVZKIGKEFZPMME-UHFFFAOYSA-N 431.673 5.398 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3SCc3ccco3)cc2)c1 609064847 MATSVEIREDWFGE-UHFFFAOYSA-N 440.524 6.275 30 20 IKED COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609433979 UPLDISGZAMBPQK-DEOSSOPVSA-N 427.504 6.118 30 20 IKED COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)N[C@@H](C)c2cccc(C#N)c2)cc1 610407222 ZKLJLZYKYZJLND-IBGZPJMESA-N 429.520 5.048 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CN[C@H](C)c2cccc(C#N)c2)cs1 611389428 VWPYUTDOMDVUQK-CQSZACIVSA-N 444.482 5.569 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)nnc1-c1ccccc1F 613390919 ZRWJJAKWZYOFJB-SFHVURJKSA-N 438.572 5.188 30 20 IKED N#Cc1ccc(N2CCC[C@H]2c2nc(-c3ccc(Cn4cnc5ccccc54)cc3)no2)cc1 614970098 VJJBVOMYLUKNJV-VWLOTQADSA-N 446.514 5.348 30 20 IKED CCCOc1ccc(CN(CCC)C(=O)NCc2ccc(C#N)c(Cl)c2)cc1OC 619828660 YFDCMBFBCYMOHN-UHFFFAOYSA-N 429.948 5.131 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(OCC(F)(F)F)cc1 642161583 QTACSTQYENITJA-QWRGUYRKSA-N 437.302 5.267 30 20 IKED CC(F)(F)c1ccc(CNC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 644971872 FTUYYRJMARVQCX-WDNDVIMCSA-N 432.355 5.507 30 20 IKED CCc1nc(-c2ccc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2)n[nH]1 681173483 AZAYFSFZKNTSED-AWEZNQCLSA-N 441.438 5.153 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cccc(OCCCC#N)c2)c1 726737134 JYMNRWCINRUJRT-UHFFFAOYSA-N 449.580 5.142 30 20 IKED N#Cc1c(NC(=O)CCN2CCC[C@@H]2c2ccccc2C(F)(F)F)sc2c1CCC2 728061606 WABKYWOYOXNCOC-GOSISDBHSA-N 433.499 5.293 30 20 IKED CC(C)[C@@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)S(=O)(=O)C1CCCCC1 728466147 PGPITQAUODHWRW-RPWUZVMVSA-N 438.593 5.053 30 20 IKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CCCCC#N)cc1 728780689 WWIGJWQUUZQLJI-JOCHJYFZSA-N 448.592 5.212 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1 730397062 WTZMICZJERCSII-MRXNPFEDSA-N 446.862 5.631 30 20 IKED N#C[C@H](C(=O)CCc1nc2cc(Cl)ccc2s1)C(=O)Nc1cccc2ccccc12 730686529 GVQGBVQSAWKLPD-QGZVFWFLSA-N 433.920 5.383 30 20 IKED Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(C)c1 732377122 AARVVORMSVFQHQ-IBGZPJMESA-N 428.488 5.346 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)CSc2cc(Cl)ccc2Cl)ccc1OC 733230536 QUAWIRLIKLURMC-HNNXBMFYSA-N 439.364 5.091 30 20 IKED C#CCN(C(=O)Nc1cc(F)ccc1Cl)[C@H]1CCOc2ccc(Br)cc21 733630164 QDECTOTWFSQNBZ-KRWDZBQOSA-N 437.696 5.233 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)c1 733847102 XAFQVCPAXPERNW-ATIYNZHBSA-N 439.515 5.703 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccc(Br)cc2)C(C)C)c1 733850445 MYXPCDWIHYNJCS-HXUWFJFHSA-N 444.373 5.250 30 20 IKED Cc1cc(C=Nn2c(S)nnc2[C@@H]2CCCO2)cc(C)c1OCc1ccccc1Cl 734744718 CGKZUKRJWDZLKA-IBGZPJMESA-N 442.972 5.150 30 20 IKED C[C@@H](NC(=O)CSCc1cc(Cl)ccc1OCC#N)c1ccc(Cl)c(Cl)c1 735320005 IFUMRIDISZZOMY-GFCCVEGCSA-N 443.783 5.660 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@H]2c2cccc(N(C)C)c2)c1=S 735484536 FJMWLTVRALBCJA-QFIPXVFZSA-N 449.624 5.136 30 20 IKED C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 739159200 IAELBXCUFYQKMR-KUHUBIRLSA-N 439.462 5.756 30 20 IKED CCC(=NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1)c1c(C)nn(C)c1C 741836563 HEKJESPLUKOBPS-UHFFFAOYSA-N 438.597 5.219 30 20 IKED N#Cc1ccc([C@@H]2NC(=O)N(CC3CC3)C(c3cccs3)=C2c2nc3ccccc3[nH]2)o1 743741502 JFNSPSPURKIGDM-NRFANRHFSA-N 441.516 5.134 30 20 IKED C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 743971283 AXZBWNLKQHZSDV-DVKBMCPXSA-N 441.506 5.029 30 20 IKED Cc1nc(-c2cccc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c2)cs1 744033500 RYOPGKIVKBEQAM-KRWDZBQOSA-N 430.316 5.387 30 20 IKED Cc1ccc(C(=O)N[C@H](CC(=O)[C@H](C#N)c2nc(C(C)C)cs2)c2ccccc2)cc1 747193361 ISJCJTXFCDYXGC-LEWJYISDSA-N 431.561 5.313 30 20 IKED COc1ccc(NC(=O)c2c(NC(=O)c3sccc3C#N)sc3c2CCCC3)cc1 748053444 OTUHKQKXYOJDOG-UHFFFAOYSA-N 437.546 5.073 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@H]2Cc2ccccc2Cl)cc1C#N 752305598 PNPOCIZWDNWTAP-SFHVURJKSA-N 426.904 5.019 30 20 IKED N#Cc1cc(F)c(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)c(F)c1 755237351 CYHIBZUJSJUGPS-UHFFFAOYSA-N 445.347 5.360 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2c(C(F)(F)F)ccnc2Cl)cc1F 758809674 WLMFGWKNJBZSDL-UHFFFAOYSA-N 435.764 5.809 30 20 IKED N#C[C@@H](C(=O)/C=C\c1ccc2ccc(Cl)cc2n1)C(=O)Nc1ccc(Cl)cc1Cl 759214207 QWVBRMUAKGSAGL-IOBAAEILSA-N 444.705 5.556 30 20 IKED O=C1/C(=C/c2cccc(F)c2F)CC(O)(C(F)(F)F)C/C1=C\c1cccc(F)c1F 764431357 BNAIPIFOMBZVDA-FNCQTZNRSA-N 430.319 5.366 30 20 IKED C/C(=C\c1c(Cl)cccc1Cl)C(=O)OCC(=O)Nc1ccccc1SCC#N 766797153 ZPAYYRNCUXNCPK-ACCUITESSA-N 435.332 5.194 30 20 IKED CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)c1cn(CCCC#N)c3ccccc13)CC2 768003787 KQIHQSIMPBGDEP-UHFFFAOYSA-N 444.535 5.495 30 20 IKED N#C[C@H](C(=O)c1ccnc(-n2ccnc2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 773982381 HPTQBUKPMXJVLQ-OAHLLOKOSA-N 440.315 5.188 30 20 IKED N#C[C@H](C(=O)C1CCC(C(F)(F)F)CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 774051774 CAALAHKEMRSQPR-QIMFLAQGSA-N 447.309 6.662 30 20 IKED N#CCc1ccccc1CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 776729045 GRTPQWUMAJICLW-UHFFFAOYSA-N 437.421 5.205 30 20 IKED CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)c2cccs2)cc1 780043248 GUKSNJQXELUHII-GAJHUEQPSA-N 447.560 5.007 30 20 IKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1csc(Cc2cccc(F)c2)n1 780309942 RAZLSHFQCAOBGN-MRXNPFEDSA-N 448.306 5.141 30 20 IKED N#C[C@@H](C(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2o1 780319009 OGUIVQLXHXIEGO-ZDUSSCGKSA-N 428.288 5.121 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 780592742 VZRIIQRHHJSDIN-HNNXBMFYSA-N 435.299 5.172 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(OC2CCCC2)nc1 781762054 ARWQEXRFAJPQFD-NRFANRHFSA-N 441.487 5.156 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)NC2CCC(c3ccc(F)cc3)CC2)ccc1OC 781936543 AIYJPOIICKRKDK-VTLFHKLASA-N 439.531 5.041 30 20 IKED Cc1cc(Br)cc2cc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)oc12 783077544 TVHPYSMKROIJEQ-ZDUSSCGKSA-N 431.673 5.118 30 20 IKED COC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1F 783142838 JGIOBOJNAHHPDO-HNNXBMFYSA-N 432.455 5.425 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 792067591 WAKXKZZDAGKYKJ-UHFFFAOYSA-N 429.511 5.045 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2C[C@H](C)CC[C@@H]2c2ccccc2OC)c1=S 795676899 VPEUIUFFHUEZEE-WIYYLYMNSA-N 435.597 5.101 30 20 IKED Cc1ccc2c(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)csc2c1 796632384 KYASEZVGBGVATA-IBGZPJMESA-N 426.497 5.963 30 20 IKED C[C@H](Oc1ccc2ccccc2c1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 796636382 NSSDVZYEQUEJOO-UGSOOPFHSA-N 427.287 5.261 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCCC(=O)c3cccc(OC)c3)n2)cc1 796777321 ZYRSDPSKQLIRRA-HXUWFJFHSA-N 434.517 5.057 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@@H](C)c2ccc(C(F)(F)F)cc2)c1C#N 798359688 HLRJJKWRPIDRKI-ZDUSSCGKSA-N 430.455 5.227 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2csc(C)n2)cc1 799602056 FOXFYMUXUVRCII-INIZCTEOSA-N 439.924 5.050 30 20 IKED C[C@@H](Cc1cncc2ccccc12)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 805856578 YNGPPJKGZVWKED-YADARESESA-N 449.510 5.553 30 20 IKED C[C@H](Cc1cncc2ccccc12)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 805856584 YONRUGPTHUCPDY-FZKQIMNGSA-N 426.303 5.068 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NCCc3ccc(N4CCCCC4)cc3)cc2)ccn1 810280738 MAIQQKCCKUUEAW-UHFFFAOYSA-N 441.535 5.100 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](NC(=O)CCc1ccc(C#N)cc1)CC(C)(C)O2 810957024 RYOLSLHVBZSWLW-OAQYLSRUSA-N 449.551 5.256 30 20 IKED N#C[C@H]1C(CN2CCCCC[C@@H]2Cc2ccccc2Cl)=CC(=O)n2c1nc1ccccc12 815151050 JOCJFUZNGMMQNU-RTWAWAEBSA-N 444.966 5.364 30 20 IKED N#C[C@H](C(=O)[C@H](Sc1ccccc1)c1ccccc1)c1nc2ccccc2n1C(F)F 915106597 FBKXKJHKIQUFNU-XMSQKQJNSA-N 433.483 6.141 30 20 IKED Cc1ccc(Cn2nc(C)c(/C=C3\SC(=Nc4c(C)cccc4C)NC3=O)c2C)cc1 915849093 XLFKNFTWVRQBPQ-XKZIYDEJSA-N 430.577 5.365 30 20 IKED COc1ccc(C=Nn2c(S)nnc2-c2cccc(Br)c2)c2ccccc12 915954130 MXSTWRLUPIIJFH-UHFFFAOYSA-N 439.338 5.040 30 20 IKED CCCOc1c(Br)cc(/C=C\C(=O)c2ccc(OC)c(OC)c2)cc1OC 916137779 WHMUMKWAAGCJNE-VURMDHGXSA-N 435.314 5.160 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N(c4c(C)cc(C)cc4C)C3)n2)cc1 916974202 GQFYMPLRRRQGBF-LEWJYISDSA-N 443.572 5.273 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@H](C)Sc1ccc(Br)cc1 920105709 LCRWMKNLVNEYTI-SUMWQHHRSA-N 441.350 5.311 30 20 IKED COc1cc(Cl)cc(C(=O)NC2(c3ccc(NC(=O)[C@H](S)C(C)C)cc3)CCC2)c1 1786396161 QJAGXDDBBCEVPP-HXUWFJFHSA-N 447.000 5.051 30 20 IKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2)CCC1 1788687282 IMHISWZTMJMKSG-UHFFFAOYSA-N 447.922 5.651 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3cnccc3C)CCC2)cc1 1789453102 KMQJDLIFKTYUBG-DEOSSOPVSA-N 431.580 5.225 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(C)c(F)c3F)CC2)C1 1804868482 BLRAJJGXLFNIRK-UHFFFAOYSA-N 432.555 5.110 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C)cc2C)[C@@H]1c1cccnc1 1811784471 VVNUTXIWZBBJLZ-UPVQGACJSA-N 433.596 5.010 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc(-c3ccccc3)s2)n[nH]1 1819932264 GQGPPJOJOXPTJQ-LPHOPBHVSA-N 449.580 5.051 30 20 IKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1822403351 DIRMKIRDMYIGFM-FQEVSTJZSA-N 428.492 5.191 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)cc(Cl)c2)n[nH]1 1823209043 CTONZSDPXMQARB-UYAOXDASSA-N 444.938 5.277 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)C1 1823704775 SKUPUNQCVOAWSQ-HHHXNRCGSA-N 442.603 5.553 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)s2)CC1 1825033822 WFRBAQMYLRIHDR-SFTDATJTSA-N 449.060 5.332 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C(C)=C/c2ccc(C)o2)CC1 1829004991 OIXWEWHJRNFIBY-UCDYPZRHSA-N 438.612 5.379 30 20 IKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCC3CCCC3)CC2)c1 1830767663 MHXYZSIUFUXQOT-RUZDIDTESA-N 435.612 5.070 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 1831373307 BTIVXUHTBZVGAQ-HRAATJIYSA-N 437.411 5.439 30 20 IKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCCC(C)(C)C)CC1 1831577691 PZFXAZPGNJTSGC-GGAORHGYSA-N 449.680 5.404 30 20 IKED Cc1nc(SCC(=O)N(CCC#N)c2cccc(Cl)c2)n(C2CCCCC2)c1C 10989704 UXSZCXZQRDQAAQ-UHFFFAOYSA-N 431.005 5.698 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(F)cc2F)cc1 11248163 KWRHTIIWHVOEQP-UHFFFAOYSA-O 433.450 5.144 30 20 IKED Cc1cccc(N/C(S)=C(/C(=O)c2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)c1 11268758 NZGWCXUVVLMKNT-UHFFFAOYSA-O 437.588 5.924 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc(C4CC4)nc4ccccc34)s2)cc1 60526039 HXSZZQALJVMXKY-UHFFFAOYSA-N 443.557 5.380 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCc2cccc(C(=O)Nc3ccccc3)c2)n1 108219425 SUSGSKDTAMFLCE-UHFFFAOYSA-N 427.451 5.825 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)o1 108852455 VHCPWUQDVVEBIV-UHFFFAOYSA-N 438.487 5.182 30 20 IKED C[C@@H](C#N)Oc1ccc(CN[C@@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)cc1 237499471 CAYOUVUREHWPBT-OALUTQOASA-N 431.511 5.149 30 20 IKED Cc1nc(NC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)sc1SCC#N 303021325 MVAPHGMOCGGBBM-UHFFFAOYSA-N 430.580 5.230 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 303334052 KGPGZIGLPCUUCT-SFHVURJKSA-N 444.560 5.384 30 20 IKED CC(C)n1c([C@@H](C)NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)nc2ccccc21 303814033 VVCUBRUVTWCZHA-LJQANCHMSA-N 438.531 5.559 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCc2ccc(F)c(F)c2C1 426115962 SLFCNAYEMJQPLZ-UHFFFAOYSA-N 433.458 5.314 30 20 IKED Cc1ccc(-c2c[nH]cc2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)s1 426619293 KCSFFOGWJBRLEE-UHFFFAOYSA-N 426.501 5.428 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)s1 430610706 LKYLEDAGFPIHGC-ZDUSSCGKSA-N 429.343 5.083 30 20 IKED C[C@@]12CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)C[C@H]1C2(F)F 432855985 UWCOWTZXFLGLAP-TZIWHRDSSA-N 431.870 5.300 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccnc(Oc3ccc(F)cc3F)c2)cc1 433537526 IURWUAYDFBMINU-UHFFFAOYSA-N 449.457 5.219 30 20 IKED N#Cc1ccc(SCC(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)cc1 433954869 XERBJKZRXAKLEU-UHFFFAOYSA-N 431.304 5.178 30 20 IKED Cc1sc(NC(=O)C2(c3ccc(C#N)cc3)CC2)nc1-c1ccc(OC(F)F)cc1 436078084 PLGYGKDYYVBDBC-UHFFFAOYSA-N 425.460 5.262 30 20 IKED N#CCC[C@H](NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccccc1 439659979 WNELRTRRTRCNCX-QHCPKHFHSA-N 437.499 5.389 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cc(C(F)(F)F)cnc1O)c1ccc(C(F)(F)F)cc1 442197377 WBHYJKZJSWBESJ-CQSZACIVSA-N 433.352 5.654 30 20 IKED C=CCN(CC1CCCCC1)C(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 443885581 RQMRLQDUXVZTSA-UHFFFAOYSA-N 443.634 5.450 30 20 IKED Cc1nc([C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c2ccccc2F)no1 444388438 FPGDIOWJWBPMQD-JOCHJYFZSA-N 443.438 5.092 30 20 IKED N#Cc1ccc(Cc2cnc(NCc3cnc(C(F)(F)F)s3)s2)c(C(F)(F)F)c1 446944451 SSLSYLUPKMSRER-UHFFFAOYSA-N 448.417 5.712 30 20 IKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)c1cccc(C(F)(F)F)c1 447140132 RTCLLGNLFAMBGK-QGZVFWFLSA-N 437.849 5.073 30 20 IKED C=CCN(Cc1cccs1)C(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 448133331 WCUFMWVQQWEQIF-UHFFFAOYSA-N 447.600 5.590 30 20 IKED C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(C)[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C 460767987 GQHKREPUQLFWAI-ICSRJNTNSA-N 437.613 5.643 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3c[nH]cc3-c3ccc4c(c3)OCCO4)cc2)cc1 460847081 ORSNIGJLWTYTMZ-UHFFFAOYSA-N 437.455 5.369 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)c1ccccc1[N+](=O)[O-] 463033085 AZVIIXGDUFURGA-AWEZNQCLSA-N 430.917 5.458 30 20 IKED N#Cc1cc(NC(=O)CSc2ccncc2)ccc1Oc1ccc(C(F)(F)F)cc1 464273981 FKQCXMZJBRUSKJ-UHFFFAOYSA-N 429.423 5.495 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)c3c(C)noc3n2)cc1 464422097 PEBBTAYUJOPHHU-QGZVFWFLSA-N 436.393 5.411 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc(Cl)c1OCCC(C)C 464429464 VXSZNSNLZIWERL-OAHLLOKOSA-N 440.849 5.677 30 20 IKED C=C(C)CN1CCC(NC(=O)N[C@@H](c2cc(F)ccc2F)c2ccccc2Cl)CC1 465855962 BUJDBAJHZMGGLU-JOCHJYFZSA-N 433.930 5.047 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCCCC[C@@H]3CC(=O)c3ccccc3)cc2)nc1 467530668 IHKGQWWRXCYZCC-HSZRJFAPSA-N 439.515 5.403 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(Cl)cc1-c1ccccc1 468278951 AFZGLPYGYRUWAR-UHFFFAOYSA-N 429.911 5.110 30 20 IKED Cc1nnc(-c2ccc(C(=O)N(Cc3cccc(C#N)c3)c3ccc(F)cc3C)cc2)o1 468603614 UDXXVYMNILWADG-UHFFFAOYSA-N 426.451 5.211 30 20 IKED N#C[C@@H]1N(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)CCC[C@]12CCCCO2 468672114 YEHNMYBBKXEUQO-PGRDOPGGSA-N 446.334 5.248 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCC[C@H]3CCCc3ccccc3)ccc21 470547202 QDVOSJHCHCWPSD-XMMPIXPASA-N 444.579 5.289 30 20 IKED C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 473642685 PYMCKSJZQYCKLZ-NMEJYPJZSA-N 433.533 5.313 30 20 IKED CCOc1ccc([C@H]2CCCN2C(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1 479160713 IOQOCLJBKFSFQQ-FOJYNEPKSA-N 433.552 5.194 30 20 IKED Cc1noc(C2CCC(Nc3c(C#N)cnc4c(Br)c(C)ccc34)CC2)n1 480061716 PSQCRNQUPXLJDQ-UHFFFAOYSA-N 426.318 5.007 30 20 IKED N#Cc1ccc(-c2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)cn1 480339333 VVEJQGHNZDTJTD-UHFFFAOYSA-N 443.772 5.530 30 20 IKED C=CCc1cc(CNC(=O)N(CC(C)C)[C@@H]2CCCc3cccnc32)cc(OC)c1OC 482937030 MXJLWZLFOQDNIJ-JOCHJYFZSA-N 437.584 5.073 30 20 IKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)c(F)c1 485544968 AIAISPHZWDKQHG-UHFFFAOYSA-N 428.691 5.094 30 20 IKED C[C@H](Cc1cncc2ccccc12)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 485656036 NEIASBFJBMQBSS-GOSISDBHSA-N 434.499 5.176 30 20 IKED N#Cc1ccc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3OC(F)F)cs2)s1 487246516 PNGRJDVWWKXWRA-UHFFFAOYSA-N 443.403 5.198 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)nnc1-c1ccco1 489658270 BVEUSMOCFUZWCW-WOJBJXKFSA-N 436.581 5.049 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)N[C@H](c3cccs3)C(C)(C)C)o2)cc1 489747097 QWDYZOMYZXVBGE-LJQANCHMSA-N 443.594 5.359 30 20 IKED N#CC1(F)CCN(C(=O)N[C@@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)CC1 495277058 JEAAJRZSAZYESI-IBGZPJMESA-N 438.305 5.454 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 499637072 QBTQPWFVGZRFCH-MRXNPFEDSA-N 440.330 5.256 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1ccc(COc2cccc(Br)c2)o1 500550086 LNVSMGWBAUYJEO-UHFFFAOYSA-N 441.281 5.144 30 20 IKED N#C[C@@H](C(=O)c1cnccc1Oc1ccccc1)c1nc(-c2c(F)cccc2F)cs1 501358534 JVLXFJLPEISCCY-HNNXBMFYSA-N 433.439 5.766 30 20 IKED CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 506870224 DKUQQBBLKIBEGB-UHFFFAOYSA-N 429.524 5.078 30 20 IKED CCCNC(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1Cl 509390199 UQGHYEDOEVZPDE-UHFFFAOYSA-N 447.922 5.183 30 20 IKED C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509855680 RBKMECCCZHRFET-KRWDZBQOSA-N 435.474 5.835 30 20 IKED CCN(C[C@@H](C)C#N)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 509981711 IPQRTLMQZOQRMB-IQFISFIMSA-N 434.521 5.143 30 20 IKED CC(C)c1c(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cnn1-c1ccc(Cl)cc1 511736642 LPOZLCHPRYSROY-UHFFFAOYSA-N 448.889 5.098 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1 511923681 ASEGKOQPNNUJGH-UHFFFAOYSA-N 446.517 5.336 30 20 IKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@H](C#N)c3nc4ccccc4s3)c12 513652954 DANQBMNGFGUONW-AWEZNQCLSA-N 429.530 5.105 30 20 IKED N#Cc1ccccc1CSCCNC(=O)c1cccnc1SCc1ccc(F)cc1 514431953 QKPFHMUBBYDIIQ-UHFFFAOYSA-N 437.565 5.048 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC=C(c2c(F)cccc2F)CC1 514819548 WUVXHAFZOCBTKV-RDPSFJRHSA-N 448.517 5.281 30 20 IKED C=CCn1c(Sc2nc(C)nc3sc4c(c23)CC[C@@H](C)C4)nnc1-c1cccnc1 514883223 JBRJAQWWSRSSBN-CYBMUJFWSA-N 434.594 5.115 30 20 IKED C=CCN(C(=O)c1csc(-c2ccc(OCC)cc2)n1)c1nc(-c2ccccc2)cs1 517305728 CHZMWGJOJZWEHC-UHFFFAOYSA-N 447.585 6.165 30 20 IKED CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c(C)c1 517336064 HTTABFWVFCRZOB-KRWDZBQOSA-N 445.494 5.579 30 20 IKED CC(C)(C)n1ccnc1SCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 517824406 SCVBSSOZVFFYGT-LJQANCHMSA-N 438.984 5.678 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 518177787 XHPZTXPVOBPJIS-QHCPKHFHSA-N 428.492 5.244 30 20 IKED C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CCC(C#N)(c2ccccn2)CC1 519184593 YWOXMXPHRXMPEP-AWEZNQCLSA-N 428.323 5.057 30 20 IKED CC(C)(C)n1nc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1C1CC1 521258770 DWFIYQQEPSRZBH-CYBMUJFWSA-N 426.492 5.407 30 20 IKED COc1ccc(Cl)cc1NCCC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 521598168 GDZJMBCIAAHWHW-UHFFFAOYSA-N 449.938 5.434 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCC(=O)c1ccc(F)cc1F 524140900 XBLQIHWOQRLKQM-UHFFFAOYSA-N 434.442 5.326 30 20 IKED CCO[C@@H](C)c1nc(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cs1 524212200 JPQWYVOPHNSJEI-YWZLYKJASA-N 439.968 5.731 30 20 IKED N#C[C@@H](NC(=O)CCSc1ccc2c(c1)OCCCO2)c1c(Cl)cccc1Cl 524636529 DPDLBBAURUTORE-MRXNPFEDSA-N 437.348 5.018 30 20 IKED COc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1-c1ccccn1 533640463 DSJNJBATOURQNN-UHFFFAOYSA-N 449.510 5.655 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN(Cc1cccs1)CC(F)(F)F 534123719 DQCRXURVDROTFN-CQSZACIVSA-N 427.517 5.003 30 20 IKED CCc1ccccc1N(C(C)=O)c1nc(CN(Cc2ccc(C#N)cc2)C(C)C)cs1 534463335 YHBLYCPMIJZWKX-UHFFFAOYSA-N 432.593 5.672 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC[C@H]2c2ccccc2Cl)n1 541098781 OZWSREVKOKKEMQ-IBGZPJMESA-N 426.307 5.420 30 20 IKED CN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 543596729 UJRYRVSQBPEIAR-RCZVLFRGSA-N 445.494 5.874 30 20 IKED C=C(C)Cn1c(SCc2nc(Cc3ccc(F)cc3Cl)no2)nnc1-c1ccco1 546275830 GNAOAEJVKOVDMW-UHFFFAOYSA-N 445.907 5.173 30 20 IKED CC(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC(CC#N)CC1 549894405 VCSYUQYYIPSHJO-UHFFFAOYSA-N 436.785 5.147 30 20 IKED N#CCCC[C@H](NC(=O)C(=O)Nc1ccccc1Nc1c(F)cccc1F)c1ccccc1 551831477 GWUIPGLZEKADDF-FQEVSTJZSA-N 448.473 5.198 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)CCCc3ccc(Cl)c(Cl)c3)CC2)c(F)c1 552347334 WATCCRHKSUZYIA-UHFFFAOYSA-N 435.326 5.397 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2-c2ncc3n2CCCC3)o1 552535958 IPRVXKNCDWFBTA-UHFFFAOYSA-N 438.487 5.182 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)[C@H]2CCC[C@@H]2C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 555904198 AZALUVAWBXRELB-GOTSBHOMSA-N 442.563 5.282 30 20 IKED CC(C)Oc1ccc(-c2cccc([C@H](C)N(C)C(=O)C(=O)Nc3sccc3C#N)c2)cc1 559828265 UWFYXTBAIWODIB-KRWDZBQOSA-N 447.560 5.232 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 572966826 JGXKAVBJWSYTAM-CTNGQTDRSA-N 443.469 5.138 30 20 IKED N#Cc1cc(N2CCc3nc(-c4ccccc4Cl)sc3C2)nc2ccc([N+](=O)[O-])cc12 578909183 KBWVGWKTEMDEJM-UHFFFAOYSA-N 447.907 5.354 30 20 IKED C=CCOc1ccc(CNC2CCN(C(=O)[C@H](CC)c3ccccc3)CC2)cc1Cl 589647873 KIUKYUYLICZMGX-JOCHJYFZSA-N 426.988 5.179 30 20 IKED C=CCn1c(Sc2nc(C(F)F)nc3ccccc23)nc2cc(Cl)ccc2c1=O 595526996 SFDPOHGNOMPVAQ-UHFFFAOYSA-N 430.867 5.268 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1Cl 603766035 KDLBQOXOPBNLQS-QHCPKHFHSA-N 430.935 5.682 30 20 IKED C[C@@H]1CCCN(Cc2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)cc2)C1 603896071 VRNNGYXHOFTIDX-LJQANCHMSA-N 429.520 5.214 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(-c3n[nH]c4c3CCCC4)c2)o1 604240723 RNFCDRPODAHBHR-UHFFFAOYSA-N 438.487 5.251 30 20 IKED CN(C(=O)c1cccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1)c1ccccc1 609176616 SWAHFKKAIMXHDJ-UHFFFAOYSA-N 447.494 5.879 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)Cc3csc(Cc4ccc(F)cc4)n3)c2)cc1 609176717 WGCWBJKGTOQDQZ-UHFFFAOYSA-N 443.503 5.718 30 20 IKED COc1ccc([C@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1Br 609401983 QMHUCGLOJWDTHV-KBPBESRZSA-N 448.386 5.592 30 20 IKED COc1cc(CN(C)C(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1OC(F)F 609402856 DUOMZPLOXFJKGH-AWEZNQCLSA-N 435.496 5.212 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NCc3ccc(Oc4cccnc4)c(F)c3)cc2)nc1 609501665 DCPDJCRUZDVHSY-UHFFFAOYSA-N 440.434 5.002 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)c1ccccc1-c1ccc(Cl)cc1 610103738 BMIHWDHIUSSYDL-MRXNPFEDSA-N 447.922 5.093 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CC[C@@H]2c2cccc(F)c2)cc1Cl 610384031 ZONGNUSLKMPYLW-JTHBVZDNSA-N 447.897 5.047 30 20 IKED CCCOc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OCC 613404909 QIKBBTUTNNRQKN-OAHLLOKOSA-N 448.466 5.993 30 20 IKED N#C[C@@H](C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc2ccccc2o1 614439876 SNBXYHLRUILLLU-IBGZPJMESA-N 438.874 5.824 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)c2ccccc21 618178638 NJLMOEFRFICBGE-UHFFFAOYSA-N 441.560 5.217 30 20 IKED N#Cc1ccc(CNC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1Cl 619767737 MQWSUZKBBVEONV-UHFFFAOYSA-N 449.725 5.208 30 20 IKED C=CCn1c(-c2cc(-c3ccccc3)nc3ccccc23)nnc1N1CCC(OCC)CC1 669802789 TWUSZBYZRJTQMB-UHFFFAOYSA-N 439.563 5.352 30 20 IKED Cc1cc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c(F)cc1Br 672873314 XDPGVVHLUUZYHS-YUMQZZPRSA-N 437.153 5.101 30 20 IKED CC[C@@H](C)n1ncc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1C1CC1 677710571 QIJYZKMNVOREFJ-RISCZKNCSA-N 432.471 5.850 30 20 IKED CC(C)(C(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(OC(F)(F)F)cc1 682797368 GRTBQLZVTXIDIV-RYUDHWBXSA-N 437.302 5.062 30 20 IKED O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 683088529 HPAAJKBWDGXPLZ-FOGDFJRCSA-N 440.281 5.201 30 20 IKED C=CCSc1nc2ccccc2n1CN(CCC)C1CCN(C(=O)c2ccccc2)CC1 725786272 BKQFIMMSEMFFAW-UHFFFAOYSA-N 448.636 5.289 30 20 IKED C#Cc1cccc(NC(=S)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)c1 726446229 VGLQAESUXKLEGM-YRNVUSSQSA-N 426.541 5.356 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)sc2C)[n+]2ccc(C(C)(C)C)cc2)c1 726572828 PLHFUALRZDOHHL-UHFFFAOYSA-O 447.649 6.255 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](SCc3ccccc3)C(C)C)n2)cc1 727631404 DSIBRZBYIUOXGY-NZQKXSOJSA-N 436.602 5.953 30 20 IKED CCc1cccc(CC)c1NC(=O)COC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 728668100 LOYFCZSVGLJKOB-UHFFFAOYSA-N 428.488 5.271 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)cc1 733031784 PQSNKCKYIWJKSM-JOCHJYFZSA-N 425.479 5.148 30 20 IKED N#C[C@H](NC(=O)c1ccccc1COc1cccc(C=O)c1)c1c(Cl)cccc1Cl 733259319 WNANAMHJYKDROS-NRFANRHFSA-N 439.298 5.380 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNCc2ccc(-c3ccc(Br)cc3)o2)c1 733800661 BWTRUXHWAXZKDT-IBGZPJMESA-N 425.326 5.680 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cc(Cl)ccc2N2CCCCC2)c1 733841361 BSIRSOXFIOXJLW-LJQANCHMSA-N 426.948 5.333 30 20 IKED C[C@H](OC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nnc(-c2cccs2)o1 734590733 IQDFKXXJLFMWAD-HNNXBMFYSA-N 431.473 5.167 30 20 IKED Cc1noc(C)c1COc1ccccc1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739750388 SIWDZRCGMPHRGU-UHFFFAOYSA-N 443.528 5.401 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)c1cc([N+](=O)[O-])ccc1F 740786776 WWKPSEOQIDWIPR-UHFFFAOYSA-N 442.312 5.659 30 20 IKED O=C(/C=C\c1cc(C(F)(F)F)ccc1F)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741844806 VUNMKRIHRQGJMJ-BAQGIRSFSA-N 440.336 5.077 30 20 IKED Cc1nc(C2CCCC2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 744029279 SCSMJROPSHMPLG-IBGZPJMESA-N 445.544 5.863 30 20 IKED Cc1ncsc1-c1nc2ccccc2n1CC(=O)N1CCCSC1=Nc1ccccc1 744352218 VQXWTJXDYFIYNI-UHFFFAOYSA-N 447.589 5.121 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)NC3CCCCC3)CC2)cc1 744766049 LFILWBPECSUNDK-VWLOTQADSA-N 444.579 5.035 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(Cc2ccccc2)C2CCCCC2)ccc1OC 745820212 ROFTWIQFABLZCR-HSZRJFAPSA-N 435.568 5.421 30 20 IKED C[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)C(=O)c1cccc(F)c1 747108893 MLMAKHWOSZAUCE-UGSOOPFHSA-N 426.900 5.688 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2cnn(-c3ccccc3)c2C(C)C)cc1C#N 752945926 ZGQPVTDWYAPVKQ-UHFFFAOYSA-N 432.484 5.080 30 20 IKED CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)Cc1cc(C#N)ccc1Br 754977250 PJUWAUUEEUCNNU-UHFFFAOYSA-N 445.748 5.035 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cncc(-c3ccc(OC)cc3)c2)cc1 757876506 WQJIECNFIAOCMA-OSPHWJPCSA-N 427.504 5.232 30 20 IKED CC(C)[C@H](NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)c1cccc(C(F)(F)F)c1 761681329 SKKUQTVKSKCPRL-RTWAWAEBSA-N 431.458 5.057 30 20 IKED C=C(Cl)COc1ccc([C@H](C)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1 764808127 DMLBEBIKVQJCMZ-LBPRGKRZSA-N 445.272 5.384 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 769457115 VNUZTPCSNNZFLL-MRXNPFEDSA-N 437.565 5.584 30 20 IKED CC(C)(C)n1ncc2c(O)nc(NN=Cc3c(Cl)cccc3Oc3ccccc3)nc21 769586501 QDVCEFJOQRQXOG-UHFFFAOYSA-N 436.903 5.179 30 20 IKED C[C@H](c1ccccc1)N1CC(=O)N(c2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1=O 771819627 QPKIIOXLJKBSPD-VGSWGCGISA-N 429.907 5.525 30 20 IKED C[C@@H](CCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)NC(=O)OC(C)(C)C 774053576 JDMHJMYQMUFELH-BBRMVZONSA-N 433.961 5.333 30 20 IKED N#C[C@H](C(=O)Cn1c(Cc2ccccc2)nc2ccccc21)c1nc2cc(F)ccc2s1 780358961 PUBOBWZHMUBDAP-GOSISDBHSA-N 440.503 5.252 30 20 IKED CCOc1cc(CNCc2ccc(C#N)cn2)ccc1OCc1c(Cl)cccc1Cl 780553517 CHQMVYMOAIOFCD-UHFFFAOYSA-N 442.346 5.528 30 20 IKED CCCc1c(NC(=O)N[C@H](C)c2nc3ccccc3s2)cnn1-c1cccc(C#N)c1 784470039 WFMCMOYHLVIKNM-OAHLLOKOSA-N 430.537 5.189 30 20 IKED C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1c[nH]c2ccccc12 786303597 IMABSSXTMIJLOG-GUYCJALGSA-N 427.476 5.324 30 20 IKED C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 793128265 IPWGFNPWFZCEHK-JTSKRJEESA-N 425.513 5.516 30 20 IKED COc1ccc(CNc2ccc(OC(F)(F)F)c(C#N)c2)cc1OCc1cccnc1 799346562 FGJBCZMDKHYWEE-UHFFFAOYSA-N 429.398 5.052 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)OC2CCC(N3CCCC3=O)CC2)cc1Cl 799679716 CHOKDBOTAHUKFG-UHFFFAOYSA-N 438.911 5.094 30 20 IKED CCOC(=O)Oc1ccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 799904825 RPTWNRQNLBVITA-UHFFFAOYSA-N 432.451 5.075 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(c2ccc(F)cc2)CC1 800775939 VCPWSPSXWITLES-ZEQRLZLVSA-N 432.543 5.232 30 20 IKED C[C@@H](C#N)OCCSc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1 801653204 AYQVRRRSUYGBEX-AWEZNQCLSA-N 435.391 5.234 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(Cl)c2Cl)[n+]2cccc(C)c2)c1 802709650 WCRCHGRYBQNLDZ-UHFFFAOYSA-O 440.375 5.894 30 20 IKED CC[C@@H]1[C@H](C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)CCN1C(=O)OC(C)(C)C 810536946 SUJPIBRUYMHAAG-IIAWOOMASA-N 433.961 5.162 30 20 IKED C=CCNC(=S)/C(=C(/O)c1cc(C)c(C)c(C)c1C)[n+]1cc(O)cc(-c2ccccc2)c1 811721977 AQMFLUKINDGQRC-UHFFFAOYSA-O 445.608 5.567 30 20 IKED CN(C(=O)c1ccc(Cl)c(NCc2cccc(OCCCC#N)c2)c1)c1ccccc1 864007311 VMLDBYALOVKURL-UHFFFAOYSA-N 433.939 5.911 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3c(C)nc4c(c(C)nn4C)c3C)n2)cc1 915100363 PARZCCOUEAJQTJ-HXUWFJFHSA-N 443.576 5.135 30 20 IKED COc1ccc(C(=O)/C=C\c2csc(-c3cccc(Br)c3)n2)cc1OC 916137703 LSJDSUWZSSVIHF-FPLPWBNLSA-N 430.323 5.486 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C 916906804 JTHFCJYTDOAVQC-KBMIEXCESA-N 441.575 5.800 30 20 IKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(COc2ccccc2)cc1 916942973 RKAXWFOTNQVNHZ-OAQYLSRUSA-N 439.298 5.534 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2sc(C)nc2-c2ccc(C)cc2)cc1 916948120 SCGWDUQMITUJQQ-VGSWGCGISA-N 445.588 5.831 30 20 IKED CC(=NNc1nc(C)nc2sc(-c3ccccc3)cc12)c1ccc(-n2cncn2)cc1 917210022 BGLTUANZTLCSDC-UHFFFAOYSA-N 425.521 5.084 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cc(Cl)sc2Cl)cs1 917559251 GPMNZWZDTRHIPO-VMPITWQZSA-N 437.373 6.401 30 20 IKED COc1ccccc1-c1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)no1 919893390 GGUPXTBQEBXWFA-UHFFFAOYSA-N 425.444 5.575 30 20 IKED CCCOc1ccc2c(c1)C(=O)/C(=C/c1csc(COc3ccc(OC)cc3)n1)CO2 920069555 UBBLFONXPXDMKN-LFIBNONCSA-N 437.517 5.178 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCCOc1ccc(Cl)cc1Cl 920105748 FCDVJXCMJAEAIL-INIZCTEOSA-N 429.303 5.534 30 20 IKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[C@H](C)CC)[C@H]1c1cccnc1 1812586653 KTFDJRZCJBOJMN-FPTDWKCBSA-N 447.623 5.130 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)c2cccs2)[nH]n1 1814830207 SEBSBBQDFOHQII-LPHOPBHVSA-N 426.586 5.035 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3cnccc23)[nH]n1 1819307369 SQQXRNFKKLZDAL-AUSIDOKSSA-N 443.551 5.032 30 20 IKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC2CCC(C)(C)CC2)n[nH]1)C(F)(F)F 1820978999 FEPINXRCWKTXHP-KRWDZBQOSA-N 440.510 5.127 30 20 IKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(C)c3ccccc23)[nH]n1 1822404467 OUUZUVDPORZAED-HSZRJFAPSA-N 430.552 5.072 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2OCC)CC1 1823754118 YNGHKKQBWVXUGS-HSZRJFAPSA-N 440.628 5.311 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sccc2Cl)CC1 1824144057 XMVLVKPRRMQRTH-HXUWFJFHSA-N 435.033 5.403 30 20 IKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)o2)CC1)c1ccccc1 1824687033 RTIVJANFOZXCMW-DQEYMECFSA-N 446.591 5.019 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccoc3cn2)CC1 1830819655 OTCIVXYSOZXNAU-QFIPXVFZSA-N 437.584 5.054 30 20 IKED Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1ccc(Cl)cc1)[n+]1cccc(O)c1 11256557 MIPDACIGSGKKTI-UHFFFAOYSA-O 432.352 5.346 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc([N+](=O)[O-])cc1)=C(/S)Nc1ccc(C(C)C)cc1 11262483 BGIDUJSNSILDSO-UHFFFAOYSA-O 448.568 5.619 30 20 IKED CCc1ccc(N(C(C)=O)c2nc(COC(=O)/C=C/c3ccccc3C#N)cs2)cc1 11541685 DWCDJSYBQXSASW-JLHYYAGUSA-N 431.517 5.018 30 20 IKED CCC(CC)n1c(COc2ccccc2Cl)nnc1SCc1cccc(C#N)c1 11713356 FTMRKSZANYUXBN-UHFFFAOYSA-N 426.973 6.036 30 20 IKED Cc1ccc(C[C@H](C#N)Sc2nc3cc(Cl)ccc3c(=O)n2Cc2ccco2)cc1 24835889 VZMFJKKEAFALSO-LJQANCHMSA-N 435.936 5.227 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(C)c(OC)c2C)nnc1-c1ccc(Cl)cc1 31969085 WQCBAXCJXSICTP-UHFFFAOYSA-N 442.972 5.141 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CNc1ccccc1Oc1ncc(Cl)cc1Cl 71983192 PCAIFEFFHXPMNM-UHFFFAOYSA-N 447.709 5.756 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1nc(-c2ccccn2)cs1 78778195 QTFMNRTXWKJCPR-UHFFFAOYSA-N 442.569 5.200 30 20 IKED CC(C)N(CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)Cc1ccc(C#N)cc1 109405382 REIDMHWQVOPFGW-NRFANRHFSA-N 448.617 5.270 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(CN2CCCCC2=O)c1 303746103 AOECPNWGYQTPEP-UHFFFAOYSA-N 432.442 5.035 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)c1c(F)cccc1F 409531081 VVSLRDVTRHSDGQ-LBPRGKRZSA-N 427.264 5.325 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1 426995248 OAUIFQNUTXOBHT-FQEVSTJZSA-N 440.334 5.031 30 20 IKED CC(C)c1ccc(Cn2nccc2NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 429550335 RGVJRXVWGLNJJS-UHFFFAOYSA-N 443.551 5.002 30 20 IKED N#Cc1cnc(C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)c(Cl)c1 432452359 AEGGLYUTPSCPFS-SFHVURJKSA-N 444.691 5.028 30 20 IKED CC1(C)CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@H](c2cccc(C(F)(F)F)c2)O1 432700435 SMHHVLWUGBYDGT-HXUWFJFHSA-N 445.485 5.891 30 20 IKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@@H](C#N)CCc1ccccc1)CC2 433231623 JIVFVDBIKCYAKM-CJFMBICVSA-N 446.572 5.012 30 20 IKED N#CCSc1cccc(C(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)c1 433950965 BUUJJFWCUBQNQL-UHFFFAOYSA-N 431.304 5.444 30 20 IKED COC(=O)[C@H](Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)c1cccc(C#N)c1 434873482 JZVNXUFVQFOQED-LJQANCHMSA-N 428.275 5.379 30 20 IKED CC[C@@H](C)Oc1ccc(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 437229228 SREYTGUVOZPPFJ-QGZVFWFLSA-N 429.476 5.105 30 20 IKED C[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCN1Cc1ccccc1 438029253 ISVHWDLIEWIWEJ-NRFANRHFSA-N 440.547 5.479 30 20 IKED Cc1csc(Sc2ccc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c(C)c2)n1 438094452 FCPNSIZNIDWONX-IRLDBZIGSA-N 448.617 6.215 30 20 IKED Cc1cc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1NC(=O)c1ccco1 438233101 FGXPVSSOPUWLQD-RBBKRZOGSA-N 428.492 5.144 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3c(F)cccc3Br)cc2)cc1 438420241 LPLMNQVHDNABBN-UHFFFAOYSA-N 425.257 5.699 30 20 IKED C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438665812 NRHWXBYMHDKJJV-CQSZACIVSA-N 425.410 5.993 30 20 IKED Cc1sc([C@@H](C)NC(=O)N[C@H](CCC#N)c2ccccc2)nc1-c1ccc(Cl)cc1 438842016 NRJNOAFANDJIDT-FOIQADDNSA-N 438.984 6.177 30 20 IKED Cc1cc([C@H](C#N)C(=O)c2cccc(CSc3c(Cl)cccc3Cl)c2)nc(C)n1 442663889 XWJQRBRGVYQKEU-KRWDZBQOSA-N 442.371 6.183 30 20 IKED CC(C)CC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1F 442692294 ZSBPRAADCAWWFJ-AWEZNQCLSA-N 428.414 5.045 30 20 IKED N#Cc1ccccc1/C=C\c1nc(-c2ccc(C(F)(F)F)nc2OCC(F)(F)F)no1 445809318 VVRKIBPBCVWDEL-YVMONPNESA-N 440.303 5.134 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 460957155 JXPXZDMQEJVEQE-ZDXQCDESSA-N 448.567 5.180 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCC(c3noc(C4CC4)n3)CC2)cc1Cl 462903454 AFHPDPHGIZXYAE-UHFFFAOYSA-N 448.910 5.284 30 20 IKED CCOc1ccc(-c2noc(CNc3ccc(Oc4ccccc4C#N)c(F)c3)n2)cc1 463228726 LDEZDBYHSBTJRZ-UHFFFAOYSA-N 430.439 5.550 30 20 IKED N#Cc1ccc(CN2CCC(NCc3nc4c(s3)C[C@H](c3ccccc3)CC4)CC2)cc1 463288532 OYGSNQCXAVCEIL-HSZRJFAPSA-N 442.632 5.041 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)cc1C 465464075 CYCROIRHNZHNSX-NRFANRHFSA-N 449.558 5.634 30 20 IKED CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 467420945 UCISGGPWXMTQBY-QGZVFWFLSA-N 449.532 5.027 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC[C@@H](Cc2csc3ccccc23)C1 468720590 SMNMYCQOTBBMKA-IBGZPJMESA-N 445.588 5.363 30 20 IKED Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 468767098 AYLPUYBQGUNBEA-UHFFFAOYSA-N 427.435 5.492 30 20 IKED C=CCn1c(SC[C@@H](O)CC(F)(F)F)nc2scc(-c3ccc(C)cc3)c2c1=O 470032509 LUQZLSMDUDCYOW-AWEZNQCLSA-N 440.512 5.025 30 20 IKED CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 470335632 FWUAMXFJSFXMOD-IBGZPJMESA-N 435.421 5.471 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 472326183 KRKPVJVPFANAKE-XWRIVVANSA-N 446.979 5.440 30 20 IKED C=C[C@](C)(CCOC)C(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C 473861740 CCOWMVQAFPYMOB-VBKZILBWSA-N 437.403 5.287 30 20 IKED CCc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1C1CCCC1 474978571 ZYGACSSVCLEISS-AWEZNQCLSA-N 426.492 5.452 30 20 IKED CCOc1cc(Br)ccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 478429458 DRMYXXHTUAGUDN-UHFFFAOYSA-N 441.281 5.144 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ncoc2-c2ccccc2)cc1 479736138 YAHXKEZYLBIULV-UHFFFAOYSA-N 440.478 5.264 30 20 IKED C[C@@H]1CCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)[C@@H](c2ccco2)C1 480387569 WHNIFABRFCSNJF-RHSMWYFYSA-N 439.566 5.300 30 20 IKED N#C[C@@H](C(=O)c1ccccc1CSc1nc2ccccc2o1)c1cnc2ccccc2n1 483219198 SBLRGPPOKJQRJI-GOSISDBHSA-N 436.496 5.553 30 20 IKED CN(C)c1nc2cc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)ccc2o1 484029576 IIGINCAIAHIRJE-UHFFFAOYSA-N 428.517 5.310 30 20 IKED CC(C)[C@@](C)(NCc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(Br)cc1 484332189 QVERWURIMTUBFV-OAQYLSRUSA-N 425.330 5.032 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 484629741 LIYLTSLFHIKMEU-UHFFFAOYSA-N 445.972 5.145 30 20 IKED O=C(CCOCC(F)(F)C(F)(F)F)Nc1ccc(C(F)(F)F)cc1Br 485728158 AWEIGLZGTDYFFF-UHFFFAOYSA-N 444.116 5.011 30 20 IKED CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 486955755 PLFSHTAWICAPLQ-UHFFFAOYSA-N 447.516 5.718 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccccc2COC2CCOCC2)cc1 487223259 MBRINMRHNYHQPT-UHFFFAOYSA-N 428.488 5.298 30 20 IKED Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@@H](CCCC#N)c1ccccc1 487588562 BBVWTLJFEJHTDU-NRFANRHFSA-N 437.341 5.108 30 20 IKED C=CCC[C@@H](C(=O)Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1)c1ccccc1 488641815 ASRLTBHKZBCWNI-OAQYLSRUSA-N 433.939 5.354 30 20 IKED C=C(C)Cn1c(S[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1ccncc1 489410023 YFLXVZLAKACPLP-CQSZACIVSA-N 447.486 5.054 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3ccc(OCc4ccccn4)cc3)o2)cc1 489765939 XVKDCNMONSJDIK-UHFFFAOYSA-N 431.517 5.568 30 20 IKED CN(C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)[C@H](c1ccccc1)c1ncc[nH]1 493201262 DXHGINISOCPJPZ-HSZRJFAPSA-N 442.906 5.589 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)N(CCC#N)Cc1ccco1 494144345 GGVKYDFMPRHOJX-UHFFFAOYSA-N 431.471 5.229 30 20 IKED C[C@H](Nc1cccc(COc2cccc(F)c2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 495548951 SMFYRJFHRVVOAK-HNNXBMFYSA-N 435.524 5.266 30 20 IKED CCOc1ccccc1C1=CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 499292779 VDPLVBRJKSPOTD-UHFFFAOYSA-N 428.488 5.058 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)CCc3nnc(-c4cc5ccccc5o4)o3)n2)c1 501152196 WNPXJSZNXOFUOK-UHFFFAOYSA-N 441.472 5.049 30 20 IKED C=C(C)CN(CC)C(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2Cl)n1C(C)C 501809232 IJRFCYAGCHAZDE-AWEZNQCLSA-N 441.428 5.738 30 20 IKED COCCOc1ccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 502514897 GBQLXBUQZUWLMK-UHFFFAOYSA-N 431.492 5.115 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](CC1CCCC1)c1ccccc1 503653851 SRHGFMWWAIKRPS-AVRDEDQJSA-N 435.593 5.315 30 20 IKED C=CCCc1ccccc1NC(=O)N(CCNC(C)=O)Cc1ccc(Cl)cc1Cl 505046500 UUSZDDJTPQKJHW-UHFFFAOYSA-N 434.367 5.282 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccccc1Oc1ccccc1Cl 505901823 WUDCXWFGQWLLFG-UHFFFAOYSA-N 445.910 5.235 30 20 IKED N#C[C@H](NC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1ccc(Cl)c(Cl)c1 505944800 WFMWZMFCDYRXIU-SFHVURJKSA-N 445.375 5.201 30 20 IKED N#C[C@@H](NC(=O)CCSc1ccc2c(c1)OCCCO2)c1ccc(Cl)c(Cl)c1 505953374 HVYNPVIZURXWGF-QGZVFWFLSA-N 437.348 5.018 30 20 IKED C=CCn1c(SC[C@@H](C#N)CCC#N)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 508533430 ZFOJAIHFNKYZQV-AEFFLSMTSA-N 439.654 5.879 30 20 IKED CN(C[C@H]1COc2ccccc2O1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510055070 LAANQMRKDTXRMV-FPOVZHCZSA-N 447.922 5.299 30 20 IKED COc1ccc(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC 510384158 ZNHCLYRNQVSPLQ-UHFFFAOYSA-N 431.492 5.040 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 511501078 XSEMLZMWBGCTFD-UHFFFAOYSA-N 430.483 5.394 30 20 IKED CC1(C)Cc2cc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)sc2-c2ccccc21 512981390 PEVHTTDWZFPTPB-GOSISDBHSA-N 441.581 6.257 30 20 IKED N#CCCn1cc(CNc2cc(F)c(Br)c(Cl)c2)c(-c2ccncc2)n1 513118290 ZDMHKXKARXBUSA-UHFFFAOYSA-N 434.700 5.026 30 20 IKED COc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1OC(F)F 514575655 GUKPWWOSIXFAJE-GOSISDBHSA-N 442.849 5.858 30 20 IKED CC(C)(C(=O)NCC#Cc1cccc(F)c1)c1csc(-c2c(F)cccc2Cl)n1 514696453 JNMUMLPHXNGIRM-UHFFFAOYSA-N 430.907 5.187 30 20 IKED COc1ccc(NC(=O)[C@H](Nc2cccc(OCCCC#N)c2)c2ccccc2)cc1Cl 515717644 QYVZHSQWAYPTLQ-XMMPIXPASA-N 449.938 5.823 30 20 IKED CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCC(=O)N(CCC#N)c1ccccc1 517591413 SYNSIDAXCRDGGL-UHFFFAOYSA-N 445.485 5.169 30 20 IKED Cn1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc2ccccc21 518177137 ZVMXKLPUZJHCLO-HNNXBMFYSA-N 426.328 6.099 30 20 IKED Cc1sc2ncnc(SCCC(=O)Nc3ccccc3SC[C@H](C)C#N)c2c1C 518660458 YDADZQYPXZQOPC-CYBMUJFWSA-N 442.635 5.681 30 20 IKED CCn1c([C@@H]2CCCN2C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)nc2ccccc21 521971842 LYNAFIYWACGYLX-QHCPKHFHSA-N 437.503 5.092 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCSC[C@@H]3c3ccccc3)cc2F)c1 523766635 QGZYAYCFGQCLJR-HSZRJFAPSA-N 447.535 5.598 30 20 IKED COc1ccc(Br)cc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 525025939 GAZPLXHTXVPCFN-UHFFFAOYSA-N 439.334 5.409 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@H]2c2ccc(Br)cc2)c1 530740929 AZBZGHITWLYZEC-INIZCTEOSA-N 436.256 5.291 30 20 IKED N#CCCCOc1cccc(NCc2cnc(-c3ccc(Br)cc3)s2)c1 533105701 BFMJYXNXQDYHES-UHFFFAOYSA-N 428.355 5.867 30 20 IKED COc1cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)sc1Br 533925440 WHVDMWZJRFVJBV-UHFFFAOYSA-N 444.310 5.139 30 20 IKED O=C(CN[C@H](CC(F)(F)F)c1ccc(F)cc1)Nc1ccc(Cl)cc1C(F)(F)F 537076721 NXSBWZOTXIFVFN-OAHLLOKOSA-N 442.762 5.720 30 20 IKED CC(=O)c1cc(F)c(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c(F)c1 537451213 FQTOQTDVRGWONZ-UHFFFAOYSA-N 426.806 5.737 30 20 IKED CCN(C(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1)c1ccc(C#N)c(Cl)c1 538072914 YOBKVIPKAJMCMJ-UHFFFAOYSA-N 432.911 5.831 30 20 IKED Cc1cc(NCC(=O)Nc2ccccc2SCC#N)nn1-c1ccc(Cl)c(Cl)c1 539639146 BXRYLXXJUXSJPE-UHFFFAOYSA-N 446.363 5.154 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CN[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 540521210 QZMHMIYPLCJYQL-MRXNPFEDSA-N 435.755 5.062 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)N1CCc2cc(Cl)c(Cl)cc2[C@H]1C 542419700 MFTKGORAEJHIHF-CYBMUJFWSA-N 434.323 5.041 30 20 IKED CCO[C@@H](C)c1nc(CN(C)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cs1 543016008 CPGATAIVWJIVFJ-MSOLQXFVSA-N 448.592 5.682 30 20 IKED C=C(C)Cn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N1CC[C@H](COCC)C1 549279207 HMBYDOOKIFXUGR-IBGZPJMESA-N 443.551 5.192 30 20 IKED COc1ccc([C@@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)cc1 569401018 HTONYHLCHRMLFK-VWLOTQADSA-N 435.531 5.215 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N(CCCO)[C@H]3CCCc4ccccc43)cc2)ccn1 569413975 AYWLVEGBPCPCDE-VWLOTQADSA-N 442.519 5.039 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 569943368 HVTAQQQVKBNXIE-CRAIPNDOSA-N 425.520 5.074 30 20 IKED O=C(Nc1cc(Cl)ccc1C(F)(F)F)c1cc(OC(F)F)cc(OC(F)F)c1 574840976 STHWBULKFICHQR-UHFFFAOYSA-N 431.691 5.814 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3F)s2)nnc1-c1ccccc1F 575190217 KCBWELKQWSXIBX-CYBMUJFWSA-N 441.532 5.781 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CC[C@@](F)(c4ccccc4F)C3)c2)c1 579135932 WUBOKAWGALTDLW-VWLOTQADSA-N 446.457 5.052 30 20 IKED N#CCCCN1C(=O)CCc2cc(NCc3cnc(-c4ccc(Cl)cc4)s3)ccc21 584484809 YLTGJUGMYDHVTM-UHFFFAOYSA-N 436.968 5.659 30 20 IKED C=CCn1c(SCC(=O)N(C)C[C@H](C)c2ccccc2)nnc1-c1ccc(Cl)cc1 589381241 KQIFTWGTMVYZIZ-KRWDZBQOSA-N 441.000 5.139 30 20 IKED N#C[C@H](C(=O)c1ccc(OCc2cccnc2)cc1)c1nc(-c2c(F)cccc2F)cs1 603627419 JTEHLRDGHNVGBG-GOSISDBHSA-N 447.466 5.552 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3)cc2Cl)cc1 604027288 UMJYPCVSQANKPA-JOCHJYFZSA-N 445.906 5.247 30 20 IKED Cc1ccc(Oc2ccccc2NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc1 604525240 XZLRQTVDKUIMBO-UHFFFAOYSA-N 434.517 5.117 30 20 IKED N#C[C@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccccc1Br 609593162 QGQQGSLWZCMTLI-INIZCTEOSA-N 425.307 5.065 30 20 IKED Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 610035577 QMWLJYCAYFGWRI-UHFFFAOYSA-N 443.894 5.210 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H](C[C@H]3CCOC3)C2)cc1 611357721 JPGCIGZZKNATKO-WOJBJXKFSA-N 435.524 5.030 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(OC2CCCC2)c(OC)c1 615676059 ZCEBWDFDOODVIW-LJQANCHMSA-N 438.568 5.484 30 20 IKED N#CCCn1cc(C(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)c2ccccc21 643101132 FFCNMEUOOABWKG-UHFFFAOYSA-N 438.512 5.733 30 20 IKED O=C(c1ccc(-c2cc(F)c(F)c(F)c2)cc1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674443219 AANIITIYGSIBDX-STQMWFEESA-N 441.293 5.584 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)CCCc1cc(-c2ccc(F)cc2)no1 682778044 XCZOPXXPFBLTNE-UHFFFAOYSA-N 435.543 6.429 30 20 IKED COc1cc(C=NN=C2c3ccccc3-c3ccccc32)ccc1OC(=O)c1cccnc1 725796577 AXDRJMMXNHSFTI-UHFFFAOYSA-N 433.467 5.161 30 20 IKED CCc1ccc(-c2nn(Cc3ccccc3)cc2C=Nn2cnnc2-c2ccccc2)cc1 725855574 BIZZQWWSQBFECV-UHFFFAOYSA-N 432.531 5.302 30 20 IKED C[C@@H](NC(=S)N(CCC#N)c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1Cl 726440721 MFPIPHQHASSRLC-CYBMUJFWSA-N 436.364 5.120 30 20 IKED Cc1ccccc1C1(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1 727038001 BWTZBHGLDWQQGC-INIZCTEOSA-N 427.356 6.333 30 20 IKED COc1ccc(COCCCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 727589677 YTHAGKNPNKBVEN-VWLOTQADSA-N 429.520 5.079 30 20 IKED COc1cc(C)c(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1OC 731319286 NVDJEIGAXZVXPT-YFHOEESVSA-N 440.496 5.189 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)c1 733774264 DVLILRDNDZGPOR-FQEVSTJZSA-N 436.943 5.260 30 20 IKED Cc1ccc(-c2ncc(C=Nn3c(S)nnc3-c3cc(Cl)ccc3Cl)s2)cc1 734295599 ZYKJULJVOAJVFB-UHFFFAOYSA-N 446.388 5.855 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCC([C@H](O)c4ccc(F)cc4)CC3)c2)s1 740059211 HXOIVTKOJHMOHE-XMMPIXPASA-N 449.551 5.081 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)c2)s1 740482906 IFXUCMYKFRVJLS-NRFANRHFSA-N 445.544 5.105 30 20 IKED CC(C)(C)c1ncc(/C=C\C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)s1 742571092 VFLOVIUTJIHKIX-HJWRWDBZSA-N 441.607 5.108 30 20 IKED N#C[C@H](NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1)c1ccc(Cl)c(Cl)c1 742656704 HGSXWEUMSXAIAR-HNNXBMFYSA-N 446.212 5.099 30 20 IKED C/C(=C/C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1 744031279 VJZKJKQXLGAAOB-OCOPJHETSA-N 441.236 5.763 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@@H](C)c3ccccc3C(F)(F)F)n2)cc1 744060852 CWEPZFUPDBZIIN-RDTXWAMCSA-N 444.478 6.208 30 20 IKED COc1ccc(-c2nn(Cc3ccccc3)cc2C=NNc2ncnc3sccc23)cc1 744755619 VHTZSILPJOOTFA-UHFFFAOYSA-N 440.532 5.058 30 20 IKED C=CCn1c(COc2ccccc2F)nn(CN(Cc2ccccc2F)C(C)C)c1=S 746033030 JXVCGNZKKWMJDD-UHFFFAOYSA-N 444.551 5.325 30 20 IKED N#C[C@@H](C(=O)CCCOc1ccccc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 748004467 XGSFKFYBNRMFSE-INIZCTEOSA-N 431.344 6.152 30 20 IKED CC(C)(C)OC(=O)NCC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 748988967 OALWLFVUCCVFPL-QHCPKHFHSA-N 448.567 5.111 30 20 IKED Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1ccnc(F)c1 751064737 XIGNMYQLFMDBML-IBGZPJMESA-N 436.468 5.055 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)COc1ccc(C2SCCCS2)cc1 752039332 OQWCXRHMBKMYRN-VXKWHMMOSA-N 438.618 5.232 30 20 IKED Cc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3ccc(F)c(C#N)c3Cl)s2)cc1 761476432 IHPYYAWJNSTLHG-ZSOIEALJSA-N 433.295 5.500 30 20 IKED C#CCCc1noc(-c2ccc(-n3nc(SCc4ccccc4)sc3=S)cc2)n1 762017377 BQYMDIGEIXBHJX-UHFFFAOYSA-N 436.587 5.571 30 20 IKED O=C(C[C@@H]1C=CCC1)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 764755235 QNPBBSZAFPYXSY-SSDOTTSWSA-N 440.224 5.328 30 20 IKED C=CCn1c(-c2ccc(C)cc2)nn(CN(C)Cc2nc(C(F)(F)F)cs2)c1=S 765054216 DDJGIYWGMVLYQA-UHFFFAOYSA-N 439.532 5.140 30 20 IKED N#C[C@@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1cccc(Br)c1 768185625 SCMZWEFOJAJEKW-JOCHJYFZSA-N 443.304 5.054 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OC[C@@H]2CCO[C@@H]2c2ccccc2)cc1C 769338313 BDGIEURCTDCDLU-WIOPSUGQSA-N 429.520 5.015 30 20 IKED N#C[C@@H](COC(=O)c1csc(-c2ccc(Br)s2)n1)Cc1cccs1 772733325 JAOZZNTZDXOPFH-JTQLQIEISA-N 439.381 5.235 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2cccc(OCc3cn4ccccc4n3)c2)c1 772984218 NQPFBYLSNHIWLZ-GBXCKJPGSA-N 440.547 5.445 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3ccccc3C)nc2C)cc1Cl 773979363 HSNRQLGDCPDJAF-MRXNPFEDSA-N 439.924 5.050 30 20 IKED O=C1[C@@H](/N=C\c2cc(Cl)cc(Cl)c2O)CCCN1Cc1cccc(C(F)(F)F)c1 776726339 WKAAABPVJALEKG-ZQPBIHNCSA-N 445.268 5.328 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)Nc2ccccc2O[C@@H](C)C#N)nc1-c1ccccc1 780674868 RMPVTDYJMBKHKM-RXVVDRJESA-N 444.535 6.125 30 20 IKED N#Cc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c(F)c1 781111438 NLWWLEPOUSZHPH-UITAMQMPSA-N 439.273 6.153 30 20 IKED C[C@H](NC(=O)c1ccc(S[C@@H]2CCOC2=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 782829190 PKDDMNGCEJXIOY-BXKMTCNYSA-N 442.540 5.124 30 20 IKED N#CC(CCOC(=O)CCc1nnc(C2CCCC2)o1)(c1ccccc1)c1ccccc1 786758761 OVKXPFBOYTYIKT-UHFFFAOYSA-N 429.520 5.103 30 20 IKED CCC(CC)n1nc(C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1C 787046884 UNDVFMHUCOCAIW-SUMWQHHRSA-N 435.355 5.059 30 20 IKED C[C@@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1cccc(N2CCOC2=O)c1 788490226 ZAMHBAXIMSGJAY-OAQYLSRUSA-N 425.532 5.194 30 20 IKED N#C[C@@H](C(=O)C1(Cc2ccccc2Br)CC1)c1nc2ccccc2n1C(F)F 796755491 FEEHZJALVNBLIP-AWEZNQCLSA-N 444.279 5.393 30 20 IKED CC1CCN(c2ccc(NC(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)cc2)CC1 806171898 BCOVTSJJZNGCPI-UHFFFAOYSA-N 436.531 5.009 30 20 IKED COc1ccc(CN2CCN(C(=O)OC(C)(C)C)c3ccccc32)cc1OCCCC#N 811512377 CGLRXZHTWBGRNI-UHFFFAOYSA-N 437.540 5.139 30 20 IKED C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N(C)[C@H](C)c1cc(C)ccc1C 812186149 LLNDIJNCPDIDBU-OAQYLSRUSA-N 447.583 5.095 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1cccc(Br)c1 813064290 LUPLPBBPJBQSBS-UGSOOPFHSA-N 436.334 5.424 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(NCc3cc(C#N)ccc3Br)ccc21 864011270 UAIXWRJUAZBBEK-UHFFFAOYSA-N 442.357 5.621 30 20 IKED CON=Cc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 915192797 VKEKZWXCULAXEJ-UHFFFAOYSA-N 429.520 5.469 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(C)c(C)c2)ccc1OCCn1c([N+](=O)[O-])cnc1C 916137517 BYZMFKWAALVCHH-YFHOEESVSA-N 449.507 5.090 30 20 IKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CC1 916214853 BUWHHKLCWSHICR-SFHVURJKSA-N 447.482 5.137 30 20 IKED N#C[C@@H](C(=O)CCN1c2ccccc2Sc2ccccc21)C(=O)Nc1ccc(Cl)cc1 916884531 CVDMPUZQWAWRLK-SFHVURJKSA-N 447.947 5.680 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCc1ccc(C(C)(C)C)cc1 916903847 WZECOCYLBFJQOQ-GOSISDBHSA-N 426.944 5.235 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(F)c(Cl)c1 916937798 GLAYECRIDDFSDN-FQEVSTJZSA-N 448.881 5.457 30 20 IKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OC1CCCC1 916946324 QMPNDISSNYJFGQ-GOSISDBHSA-N 447.318 5.285 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CSCc2coc(-c3ccccc3)n2)cc1 916951690 ZZASUEITCLQLCV-JTSKRJEESA-N 447.560 5.436 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1 917041032 OARUPIVUMQZIRK-INIZCTEOSA-N 436.487 5.591 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)s1 917044525 SYDOAQDYOAJBGH-LBPRGKRZSA-N 429.979 5.862 30 20 IKED Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917045898 CDHLEYPLIOFHBX-SFHVURJKSA-N 438.915 5.310 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)/C=C\c2ccc(Br)o2)cc1 918630797 ZEOGKJVWCVGHKD-LUAWRHEFSA-N 439.284 5.295 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 919825270 DOXYJMKZYGWFRO-UHFFFAOYSA-N 442.906 5.810 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)Cc3ccc4ncccc4c3)cc2)CCC1 1786558200 ULQPXXCVQHXUIM-UHFFFAOYSA-N 449.501 5.123 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccc4c[nH]nc34)cc2)CCC1 1788451217 DKCMLJSQEWVXRQ-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4nccc-4c3)cc2)CCC1 1788462127 PDTUIJOUFMCTMA-JOCHJYFZSA-N 428.536 5.031 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Nc3nccs3)cc2)CCC1 1788618793 RYATYNNEUDSEMF-QGZVFWFLSA-N 440.613 5.070 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3c(F)cccc3Cl)cc2)CCC1 1790225466 ZNGXPGZDHWPBQI-UHFFFAOYSA-N 444.934 5.210 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc4c(c3)CCO4)cc2)CCC1 1791391900 LQOCLOWAEITMRS-XMMPIXPASA-N 444.575 5.067 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4cccs4)CCC3)cc2)c1 1792123856 RKAMLMSJHUOCMV-SFHVURJKSA-N 443.572 5.366 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)C[C@@H](C)c2ccccc2)[C@@H]1c1cccnc1 1810183844 YHWLAAATCPINCE-YNZATZHVSA-N 445.607 5.050 30 20 IKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1812589811 DKCQWUXLXIPUMQ-SNYIIPAISA-N 447.604 5.137 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)n[nH]1 1814372531 AOTXLBWKPFKQMD-VBKZILBWSA-N 439.947 5.063 30 20 IKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCCCC(C)(C)C)n[nH]1 1822113846 DVSWTFJWUVOQKS-UYAOXDASSA-N 447.624 5.199 30 20 IKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)[nH]n1 1822399450 CBCICWPJBJZPCN-HNNXBMFYSA-N 428.945 5.160 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(C)CCCC3)CC2)c1 1823849110 VKFPMOWEKMMZFT-GBXCKJPGSA-N 435.612 5.127 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccccc3o2)CC1 1828192993 QZGAHOUELWJKHV-XZOQPEGZSA-N 434.580 5.435 30 20 IKED C[C@@H]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828906472 NWJDEEAIEPHQPB-YFNKSVMNSA-N 444.736 5.093 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3[nH]c(C)cc3c2)CC1 1831034596 CSZKUOUPGHFEAQ-AHWVRZQESA-N 447.623 5.478 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccccc2CC)cc1 10173566 KKVCRHXSZYCGKL-UHFFFAOYSA-O 431.625 6.273 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2cccc(O)c2)c1 11159378 MGZGMKWPYVIARD-UHFFFAOYSA-O 446.379 5.654 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2cccc(O)c2)cc1C 11160041 AKEYNKYXDJJVJN-UHFFFAOYSA-O 446.379 5.654 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 21439543 FKJXDHOGHPZRIE-UHFFFAOYSA-N 432.810 5.082 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2ncnc3ccsc23)n(C2CCCCC2)c1C 22005641 XNPNSGXWHLGZIQ-UHFFFAOYSA-N 425.583 5.217 30 20 IKED C[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)Nc1ccccc1C#N 36801470 XVOLDUAICGVPRK-QGZVFWFLSA-N 437.528 5.197 30 20 IKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(CC)cc3)n2)nnc1C1CC1 36855148 GCSPQFGLLVLWLF-UHFFFAOYSA-N 439.610 5.337 30 20 IKED O=C1/C(=C/c2cccc(F)c2)CC2(C/C1=C\c1cccc(F)c1)C(=O)Nc1ccccc12 40146069 CSFOVIUJLCWDPI-AYKLPDECSA-N 427.450 5.685 30 20 IKED N#CC1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(F)cc2)CCC3)CC1 61585036 RYNIUVGOBCKXEA-CAPFRKAQSA-N 425.507 5.627 30 20 IKED COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)N(C)CCC#N)cc1OC 214993891 ZOSNHKWWLRRVDL-MNDPQUGUSA-N 441.531 5.115 30 20 IKED N#CCCn1cc(CNCc2ccc(Cn3cnc4ccccc43)cc2)c(-c2ccccc2)n1 237833521 UFHKTWPFSNTPKM-UHFFFAOYSA-N 446.558 5.152 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cn2)cc1 303179027 SMKQENOFDNJXFL-UHFFFAOYSA-N 425.444 5.478 30 20 IKED Cc1ccc(C)c(-n2ccnc2SCC(=O)Nc2ccccc2SC[C@H](C)C#N)c1 303288091 LVPDMVQKIJLXGT-QGZVFWFLSA-N 436.606 5.472 30 20 IKED CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 303333206 KBJPSGBVOHSSCT-RUZDIDTESA-N 427.504 6.118 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)[C@H](c3ccccc3)N3CCSCC3)cc2)c1 303367942 RPIUOGKPIUXMKH-DEOSSOPVSA-N 429.545 5.079 30 20 IKED COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1 409542039 BSTFNEDJKJQXLD-VWNXMTODSA-N 444.506 5.360 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC(c4ncccc4Cl)CC3)s2)cc1 428697441 DAIYXDDHJCAPFG-UHFFFAOYSA-N 437.956 5.065 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1OCC 429169879 JFRYNMFIMZAFMN-UHFFFAOYSA-N 439.531 5.071 30 20 IKED CC(=O)N(c1nc(CN[C@H](CCCC#N)c2ccccc2)cs1)c1c(C)cc(C)cc1C 433011059 MPQULGNEJJYMDJ-XMMPIXPASA-N 446.620 6.278 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(OCC(F)(F)F)cn1 433836174 MEVNUTCYZAXQIZ-UHFFFAOYSA-N 441.409 5.034 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)c1C 434125228 RXZQRNKCYQOJQS-WVKNIADZSA-N 442.485 5.448 30 20 IKED Cc1cn(C2CCCCC2)nc1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 434149348 BMDFGGZSGYURHF-UHFFFAOYSA-N 443.551 5.986 30 20 IKED Cc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1C(=O)N(C)C 434411263 IXPLFJJITZBEPV-UHFFFAOYSA-N 429.545 5.113 30 20 IKED CC(C)c1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nn1-c1ccccc1 435745255 LCIPFKWYTBWRCN-HXUWFJFHSA-N 437.528 5.481 30 20 IKED CC(C)(C#N)CCCCS(=O)(=O)Cc1csc(COc2ccc(Cl)cc2)n1 436092260 WPXUUGQNDDYQMA-UHFFFAOYSA-N 426.991 5.010 30 20 IKED CCOc1cccc([C@@H]2C[C@H]2NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 436352295 MMAOKAJUOOPNPF-AZGAKELHSA-N 441.531 5.408 30 20 IKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 438653807 SGBSRMKBFITIQX-UHFFFAOYSA-N 435.597 5.061 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](CCC#N)c2ccccc2)cc1 439375542 XVOCKUNMZQVDNT-JOCHJYFZSA-N 426.476 5.526 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1 439689770 XEWUQZFNBXWMJR-AWEZNQCLSA-N 436.899 5.325 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 445185297 OFDFOLURVAAUCZ-UHFFFAOYSA-N 431.451 5.598 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CC[C@H](COCc2ccccc2)C1 460518116 DLLOHFQUHRLKSL-NRFANRHFSA-N 428.557 5.388 30 20 IKED CC(C)CCN(CCC#N)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCOC1 461682505 FURGADZSBPMNNX-INIZCTEOSA-N 436.387 5.055 30 20 IKED Cc1nc(C(F)(F)F)sc1C(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 462420584 GQHCFOCXGMDMAY-UHFFFAOYSA-N 440.384 5.590 30 20 IKED N#C[C@@H](C(=O)c1ccc(Br)cc1C(F)(F)F)c1cc(C(F)(F)F)ccn1 464472522 PAMQLSQCMFDEGC-LLVKDONJSA-N 437.137 5.372 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 464927199 RIQJVIMLABSMAG-QGZVFWFLSA-N 425.488 5.035 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 465135671 MEHVHCRUNZVUTB-UHFFFAOYSA-N 426.303 5.737 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccsc3)C2)cc1Cl 467915261 CKNUKLRZHFKJSZ-IRLDBZIGSA-N 437.952 5.662 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@@H](c3ccc(F)cc3)C3CCC3)ccc21 470561318 RATKFEBDMJWHLY-XMMPIXPASA-N 434.515 5.072 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(F)cc(NCC(F)(F)F)c3)cc2)nc1 473248188 BDLMYPAKPQHHNA-UHFFFAOYSA-N 430.361 5.111 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cnc(Sc2nccn2C)c(Cl)c1 476131535 COUILWNRGHLPQS-UHFFFAOYSA-N 426.973 5.724 30 20 IKED C=C(C)[C@@H](NC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(F)c(F)c1 477747450 PMNXVOFUPMFBPB-OAQYLSRUSA-N 432.898 5.540 30 20 IKED N#C[C@@H](C(=O)c1cnc(Cc2ccccc2F)s1)c1nc2cc(Cl)ccc2s1 478102984 QBFVATTZALIIFM-ZDUSSCGKSA-N 427.913 5.626 30 20 IKED Cc1c(C(F)(F)F)nn(C)c1NC(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 480102462 DPDUMCWKWPCCBS-LLVKDONJSA-N 448.289 5.191 30 20 IKED C=C(C)Cn1c(SCC(=O)N(C)[C@H](C)c2ccccc2Cl)nnc1-c1ccco1 480108652 WRVDTMRRVPLJQT-OAHLLOKOSA-N 430.961 5.079 30 20 IKED C=C[C@H](CC(=O)N1CCC(c2nc(-c3ccccc3OC)cs2)CC1)c1ccccc1 481579908 QUPGCDFXSKQIIT-LJQANCHMSA-N 432.589 5.885 30 20 IKED Cc1ocnc1CNC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482347955 PRXOXCUTQNQFRW-GFCCVEGCSA-N 449.273 5.123 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482397992 CSRGHYJHDWBFGU-SFHVURJKSA-N 441.400 5.383 30 20 IKED Cc1ccc([C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1[N+](=O)[O-] 488036270 ACRUHIZDHNQJEA-KRWDZBQOSA-N 431.517 5.558 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)nnc1-c1cccs1 489429729 OFWQEDQXPUIIQQ-CABCVRRESA-N 430.624 5.098 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1cccc(Cl)c1 489648026 QKEPPDMXGSOXKW-OAHLLOKOSA-N 442.972 5.296 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC1CCC(C)(c2ccccc2)CC1 492177593 ZXZHIGRUCFTTMS-OBYNWZINSA-N 435.593 5.036 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCc1cc(C#N)ccc1Br 492871394 IZUMRFCUBVWKKF-LBPRGKRZSA-N 430.346 5.743 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc(CSc2ccccn2)c1 499072582 FQQSUTMEJAQBFC-UHFFFAOYSA-N 433.533 5.052 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)c1cccc(OCc2ccccc2)c1 502925395 MDJVAKXEGUTNRA-HXUWFJFHSA-N 434.536 5.200 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCCOc3ccc(F)cc32)cc1 506353431 OHJRLQMBZMSUQV-XMMPIXPASA-N 445.494 5.506 30 20 IKED C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(C)Cc1nccn1CC(F)(F)F 506469655 JCHJFOBGLFNTLB-SNVBAGLBSA-N 433.318 5.676 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(OCCC(C)C)CC2)cc1 508244130 VDWQAARTKUWNQR-UHFFFAOYSA-N 437.540 5.418 30 20 IKED CN(Cc1c(F)cccc1Cl)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509850868 GRMBZGVZTSSSAL-UHFFFAOYSA-N 437.902 5.788 30 20 IKED C/C=C\c1ccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 510574957 RBAJGJBZLJGINH-DDSZZFJNSA-N 429.907 5.606 30 20 IKED CN(Cc1ccccc1-c1ccccc1)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 511417509 XAKLNVSUMNMBNP-UHFFFAOYSA-N 440.547 5.152 30 20 IKED C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccc(Oc2cccnc2)cc1 514150839 FHVKEWBCRGQUFL-IBGZPJMESA-N 442.519 5.060 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc(OC)c1OC 517131714 IFAMSHRROJYKFT-INIZCTEOSA-N 447.491 5.259 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NCc3ccc(OCc4ccccc4)cc3)cc2)nc1 517656666 OYMVGBPJONCHHN-UHFFFAOYSA-N 435.483 5.255 30 20 IKED CC(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 518573867 ZOHKHCKZNWKXII-UHFFFAOYSA-N 427.504 5.071 30 20 IKED Cc1cc(C(F)(F)F)nn1CC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 519736834 WHNOPXAZABFKRM-LBPRGKRZSA-N 447.301 5.039 30 20 IKED Cc1cc(N2CCSCC2)ccc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 522314328 ZGUWNLIKZLWZPC-UHFFFAOYSA-N 443.572 5.251 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl 524565437 TWBLXZNGFXAXES-VXGBXAGGSA-N 426.344 6.267 30 20 IKED CC(C)(C)C(=O)N1CCC[C@H](C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)C1 524832816 IIFTWBBVGRMONC-FQEVSTJZSA-N 437.971 5.030 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 525667917 IRRGXPFWHIEEAS-GOTSBHOMSA-N 442.490 5.114 30 20 IKED CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 531870339 COGZHWSYXFTUJL-FQEVSTJZSA-N 434.536 5.129 30 20 IKED COC(=O)[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c2ccccc21 534160318 MFXURPLCHMAJHJ-IBGZPJMESA-N 446.890 5.311 30 20 IKED C[C@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 536815763 LUZVRLFXQYQEBZ-DVECYGJZSA-N 447.966 5.800 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@H](C)c2cccc(Cl)c2Cl)n(Cc2ccco2)c1C 537112827 NJFIPSVKWGLLRT-CQSZACIVSA-N 445.350 5.214 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)cc1 539097248 JWZQOJPLCMRJPP-UHFFFAOYSA-N 442.906 5.178 30 20 IKED C[C@H]1C[C@H]1[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1 539424543 MOXIUXSMYXMZCZ-QIEVIBBNSA-N 428.001 5.517 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 539617761 UEYSDTLKBWSRNI-FGZHOGPDSA-N 446.517 5.160 30 20 IKED CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 540393043 OTQQFSZMBRHOEK-UHFFFAOYSA-N 439.537 5.087 30 20 IKED COc1ccc(CCC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(OC)c1OC 541071596 GLPJMDKZEMPMIQ-SFHVURJKSA-N 444.531 5.061 30 20 IKED COc1cc(Br)ccc1CCC(=O)Nc1ccccc1S[C@@H](C)CC#N 543899648 HSNJVROZXCPSHC-AWEZNQCLSA-N 433.371 5.423 30 20 IKED CCOc1cccc2cc([C@H](C)NCC(=O)Nc3ccccc3SC[C@@H](C)C#N)oc12 544483137 RUQLMPCFOFHNTK-IRXDYDNUSA-N 437.565 5.373 30 20 IKED C=CCCO[C@H](C)c1nc(-c2cccnc2Oc2ccc(C)cc2Br)no1 545837362 BYXWHDFHVKXXRI-CQSZACIVSA-N 430.302 5.649 30 20 IKED COCCCOc1cc(C)ccc1-c1noc(-c2ccc(Oc3ccc(C#N)cn3)cc2)n1 547178838 MCZIDWFNBMAXCN-UHFFFAOYSA-N 442.475 5.186 30 20 IKED CC(C)(C)c1nc2ccc(NC(=O)C(=O)N[C@@H](CCCC#N)c3ccccc3)cc2s1 551595294 ABOTXPVRJOHVBH-SFHVURJKSA-N 434.565 5.084 30 20 IKED C=CCOc1ccc(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1OC 552766704 JJZAMLQZNIIEMR-QFIPXVFZSA-N 449.469 5.177 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)CC2)c(F)c1 557122147 SMGKLKOMDHDFSM-MOPGFXCFSA-N 433.310 5.178 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C 558759234 XCTLKLYRBJVQPR-WMZHIEFXSA-N 436.625 5.503 30 20 IKED C=CCC[C@H](N[C@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1ccc(C(F)(F)F)cc1 567223421 APQKMZMXKKHQDA-SFTDATJTSA-N 438.515 5.027 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)Nc3ccccc3CCC(F)(F)F)cc2)ccn1 574123353 ABAFGPJRYRGAPG-UHFFFAOYSA-N 426.398 5.884 30 20 IKED Cc1ccc(C[C@@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c2ccccn2)cc1 574561576 NFLPJTMISKIRQJ-AREMUKBSSA-N 449.514 5.555 30 20 IKED CC(=O)Nc1ccc(-c2noc(-c3ccc(C(F)(F)F)c(F)c3C)n2)cc1C(F)(F)F 576313188 YLNQEYPZZDAOTA-UHFFFAOYSA-N 447.310 5.847 30 20 IKED O=C(c1cncc(C(F)(F)F)c1)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 577320287 IKBOVFHNLLTAMO-UHFFFAOYSA-N 436.327 5.100 30 20 IKED N#Cc1cnc2c(F)c(F)c(F)cc2c1N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 587425131 DBCPSTWSDSHGKP-RKDXNWHRSA-N 427.270 5.091 30 20 IKED Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1NC(=O)c1ccccc1 603587684 UNVVZMCFFHRGST-OAHLLOKOSA-N 429.545 5.558 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(OCc4cccnc4)cc3)c2)c1 603994710 ICGDKEDGDDLHCU-UHFFFAOYSA-N 448.482 5.037 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CCc2ncc(-c3ccccc3)o2)cc1 604003652 QQFTUABRTZIXLT-UHFFFAOYSA-N 437.499 5.558 30 20 IKED CCc1c(C)sc(NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)c1C#N 609033206 UYCPHBFDJYSKAZ-UHFFFAOYSA-N 436.533 5.339 30 20 IKED Cc1nc(-c2c[nH]c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)c2)cs1 609110753 QUXBIBLYFLDEAX-UHFFFAOYSA-N 432.480 5.289 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1Cl 609164412 NEUAPSVHYUWAMQ-SFHVURJKSA-N 430.851 5.637 30 20 IKED COCCOCc1cccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 609601438 OHCVKQAQDUSDDW-HSZRJFAPSA-N 449.938 5.802 30 20 IKED COc1cccc(NC2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)c1 609928695 ASADKXZSFLQAGZ-UHFFFAOYSA-N 442.519 5.468 30 20 IKED CCOC(=O)CCc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 610049628 NDMSLRKYJMYUKG-UHFFFAOYSA-N 430.529 5.457 30 20 IKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 610490027 BLGLJQLPVSPZMO-JYFHCDHNSA-N 442.584 5.949 30 20 IKED CN(C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1cc(Cl)ccc1C#N 610793985 MSLPHRXBWNPDME-UHFFFAOYSA-N 435.858 5.559 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)c(Cl)c1 611093515 NNABWPMDOWDVQF-UHFFFAOYSA-N 441.270 5.425 30 20 IKED Cc1ccc(-n2ncc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c2C(C)C)cc1 613404433 QXNPBYMOOYIWFS-QGZVFWFLSA-N 433.462 5.539 30 20 IKED C=CCOc1ccc(C(=O)NCc2cccc(NC(=O)Nc3cccc(C)c3)c2)cc1OC 617095042 RMPUXDAIBWZZQY-UHFFFAOYSA-N 445.519 5.142 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N(Cc2ccccc2)C(C)C)nnc1-c1cccc(C)c1 617940172 DWIBAAUPAREHHR-HXUWFJFHSA-N 434.609 5.357 30 20 IKED O=C(Nc1cc(F)cc(F)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 641861063 PDKAITNYDMJVNZ-UHFFFAOYSA-N 435.274 5.440 30 20 IKED CC(C)(C)[C@H](NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F 675204254 JHKOKVYMVFFRJT-UEKVPHQBSA-N 446.382 5.824 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1F)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 685075099 IZRCPZZZFGASEA-LBPRGKRZSA-N 440.319 5.091 30 20 IKED CC[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccccc1OC 726095700 UOGMAGJSKBXIHN-DEOSSOPVSA-N 431.511 5.569 30 20 IKED CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1OC 726626247 BTYJVHPXKQLTIU-NVMNQCDNSA-N 430.938 5.025 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3cccc(OC4CCCC4)c3)n2)cc1 727955743 PNURDCSPVFGRMO-MGSLXVHVSA-N 444.556 6.030 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@@H](c3ccccc3)C(F)(F)F)n2)cc1 728770923 ZBFNSIYQZYAKFP-MSOLQXFVSA-N 430.451 5.731 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3cc(Br)cs3)n2)cc1 730691163 GYIUAYUBMUFEPE-INIZCTEOSA-N 447.379 5.452 30 20 IKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc(C)c1OC(F)F 731076336 CLFFSPXOOBSNKI-HNNXBMFYSA-N 448.491 5.095 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCSC[C@@H]2c2ccccc2)c1=S 738070634 UTKFSWTVKGUBMU-HXUWFJFHSA-N 438.622 5.023 30 20 IKED Cc1ccc(NCCCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c([N+](=O)[O-])c1 740435943 XOOMCXMHMCZRPC-QFIPXVFZSA-N 443.507 5.182 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cccc(OCCCC#N)c2)c(Cl)c1 740780498 DYHDNBSCOYPXMS-UHFFFAOYSA-N 429.904 5.622 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(OC(F)F)cc2OC(F)F)c(SC)cc1OC 741166137 WNEIJYRJFYOMIN-QPJJXVBHSA-N 446.418 5.525 30 20 IKED CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 742537694 NPTGPYPDYXJWPY-JOCHJYFZSA-N 429.495 5.718 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)Nc2cccc(CN3CCOC3=O)c2)cc1F 743238424 ORWQFKSNZQJDSY-UHFFFAOYSA-N 446.438 5.086 30 20 IKED Cc1cc(/C=C/C(=O)c2cccc(O[C@H](C)C(=O)O)c2)cc(C)c1OCc1ccccn1 745020654 GGYWCGOESRDKEG-GNISGLHKSA-N 431.488 5.025 30 20 IKED CCCCOc1ccc(C=NO[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc1OC 747827558 RCEKDRFTCFAOIC-HNNXBMFYSA-N 429.904 5.689 30 20 IKED C[C@@H](OC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1ccccc1-c1ccccc1 748489550 PASMJHUUVJBCMQ-LJQANCHMSA-N 433.529 5.349 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc3cc(O)ccc3c2)cs1 749005220 XSHHXAZLTMVCGH-YRNVUSSQSA-N 448.931 6.236 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccc(-c2nnc(C)o2)cc1)c1ccc(C(F)(F)F)cc1 750332014 UVPXZDUPAZZROT-LJQANCHMSA-N 430.430 5.893 30 20 IKED N#C[C@H](C(=O)Cc1c[nH]c2cccc(Br)c12)c1nc2cc(F)ccc2s1 754533798 KZBHVDPOEFIUJY-GFCCVEGCSA-N 428.286 5.098 30 20 IKED Cc1ccccc1Cc1nc(CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)no1 754858619 GEIPLIGISGRJSQ-UHFFFAOYSA-N 428.467 5.171 30 20 IKED C[C@@H](CSc1ccc(F)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 756232713 DNWCDSKERHETKA-YVEFUNNKSA-N 438.496 5.216 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cccc(-c2c(F)cccc2F)c1 757411354 VLWAFRBEMZSXEO-FQEVSTJZSA-N 432.470 5.718 30 20 IKED COc1ccc(-c2nc(COC(=O)c3ccc(C(F)(F)F)cc3C#N)cs2)cc1OC 758122250 PYJWNKCMAOXPCX-UHFFFAOYSA-N 448.422 5.075 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C=C\c1ccc2ccc(Cl)cc2n1 759204933 GZOIFQSWAZYWMI-SQZREULQSA-N 431.923 5.374 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)OCC#Cc1ccc(Cl)cc1Cl 760308423 JJFQZDSLXOSVCD-LLVKDONJSA-N 433.257 5.067 30 20 IKED COc1ccc([C@@H](NC(=O)Cc2cccc(OCC#N)c2)c2ccccc2Cl)c(C)c1 760517665 CEKXYIKLBUQPGR-RUZDIDTESA-N 434.923 5.008 30 20 IKED Cc1nc(CSc2ccc(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)cc2)cs1 764303665 OASRPFJFPVGYLR-UHFFFAOYSA-N 444.925 5.429 30 20 IKED Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1cccc(-c2cccnc2)c1 768484382 YYHSJZYEBFYKEJ-UHFFFAOYSA-N 426.332 5.485 30 20 IKED CC(C)(C)OC(=O)NC[C@@H](NCc1ccc(OCC#N)cc1)c1ccc2ccccc2c1 775528690 GMZSAAQEZBEOMI-XMMPIXPASA-N 431.536 5.098 30 20 IKED CC(C)N1CC[C@H](NC(=O)c2ccccc2SCC#N)[C@@H]1c1ccc(Cl)c(F)c1 777420375 GRJSRSCNUKOZEA-FPOVZHCZSA-N 431.964 5.049 30 20 IKED C[C@H](OC(=O)c1ccc(C#N)c(Cl)c1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 778541754 BGGPUXUQRMOOAR-QMMMGPOBSA-N 432.090 5.356 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](c3c(F)cccc3Cl)N(C)C)n2)cc1 778606396 MTDQMVDLWRIKHP-QRWLVFNGSA-N 427.932 5.390 30 20 IKED C[C@@H](C#N)Oc1ccccc1N[C@@H](C)c1nc2cc(Cl)ccc2n1Cc1ccccc1 779712591 JUQXOSFMQKMBJR-ROUUACIJSA-N 430.939 6.202 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 780167456 XECUUNZAMWHECY-CYBMUJFWSA-N 441.318 5.211 30 20 IKED N#C[C@H](C(=O)CC1CCC(C(F)(F)F)CC1)c1nc2cc(C(F)(F)F)ccc2s1 783359982 XUQBFSPIUKOWAH-GCZXYKMCSA-N 434.405 6.250 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/COc3ccc(Cl)cc3C2=O)cs1 783715271 UOVBXDLMQGMREM-JYRVWZFOSA-N 428.872 5.279 30 20 IKED Cc1nc(CC(C)C)sc1C(=O)[C@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 787050077 OHKMDUGZDICSOJ-ABAIWWIYSA-N 438.380 5.157 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 788598707 IQVPVCLYYZLFRT-DLBZAZTESA-N 438.553 5.120 30 20 IKED O=C(C#Cc1ccc(C(F)(F)F)cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 790282234 AQYISRHMEKACNO-STQMWFEESA-N 431.298 5.083 30 20 IKED CC[C@@H](C)n1c(SCC(=O)[C@@H](C#N)c2nccc3ccccc23)nnc1-c1ccccc1 792095541 LOFJVEJUOGEACO-DYESRHJHSA-N 441.560 5.433 30 20 IKED CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1ccc(OCC#N)cc1 797720802 ODBOWGSHGQCLPL-UHFFFAOYSA-N 444.318 5.433 30 20 IKED COc1ccc(-c2cc3[nH]c(/C(Cl)=C\c4ccc(C#N)c(OC)c4)nc(=O)c3s2)cc1 799496192 ZXUILKWNGNJPEE-RQZCQDPDSA-N 449.919 5.277 30 20 IKED O=C(Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F)[C@H](F)c1ccc(C(F)(F)F)cc1 801693829 VISDCUZFXCXHGW-QGZVFWFLSA-N 448.338 5.196 30 20 IKED N#C[C@H](C(=O)CCSc1cccc(Cl)c1)c1nc(O)c2c3c(sc2n1)CCCC3 808978285 JAVHZLDRRQIEPN-OAHLLOKOSA-N 443.981 5.288 30 20 IKED C[C@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1ccc(CNc2ccc(C#N)c([N+](=O)[O-])c2)cc1 811826759 BTLXRNJFWQIMJD-HNNXBMFYSA-N 442.435 5.032 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@](CO)(Cc3ccccc3)C2)cc1 812919640 OJVGOPSJELVSQI-IXCJQBJRSA-N 439.559 5.191 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)s1 813213149 IBZOZYOOKLDWFP-GFCCVEGCSA-N 425.432 5.023 30 20 IKED Cn1c(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)ccc1-c1ccccc1Br 813214467 XYTVTAITGXSCIQ-AWEZNQCLSA-N 448.242 5.358 30 20 IKED COc1cccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2SCCOCCC#N)c1 814717660 PEDLGFAYIGANFS-KQWNVCNZSA-N 449.576 5.226 30 20 IKED C=CCn1c(COc2ccccc2F)nn(CN2CCC(c3ccccc3)CC2)c1=S 887559276 IVFOJCGZGQGLKD-UHFFFAOYSA-N 438.572 5.155 30 20 IKED CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915087872 AWWHCHFEAOEGMD-RUZDIDTESA-N 439.559 5.398 30 20 IKED N#CCOc1ccc(C(=O)/C=C/c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 916151848 FYEPVCVZUXSHDG-VZUCSPMQSA-N 434.835 5.839 30 20 IKED COc1ccc2cc(/C=C/C(=O)[C@H](C#N)C(=O)Nc3cc(C)c(Cl)cc3OC)ccc2c1 916901225 BJCFMVSGPQMNAK-MRSBXDGLSA-N 448.906 5.180 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 916903248 QFJSZHFSFVVFAA-QAPCUYQASA-N 442.943 5.069 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cc1 916953466 CIVXJFSURVPGIK-KKSFZXQISA-N 435.524 5.508 30 20 IKED C[C@@H](Oc1ccccc1F)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995157 BGAOXUWDCJMLAB-RISCZKNCSA-N 435.307 5.900 30 20 IKED Cc1ccc(Oc2ccc(OCC(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cc2)cc1 917041669 WENZKMLQCXCQMP-FQEVSTJZSA-N 447.441 5.787 30 20 IKED COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)c2ccccc12 917559222 GGMNHSRULSJRGZ-GXDHUFHOSA-N 442.540 6.194 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/CCOc3ccc(C)cc3C2=O)cs1 917563579 PCFFXAHQFPDPDD-VBKFSLOCSA-N 438.936 5.838 30 20 IKED C=CCN(C(=O)c1scnc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 920080363 OQFNUARNKPDKNQ-UHFFFAOYSA-N 437.977 6.420 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl 920101467 AVWRLGHVFGNQPO-CXOKCQFOSA-N 430.813 5.754 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)COc3ccccc3F)CCC2)cc1 1789458338 XENMIGJKPTTZQN-NRFANRHFSA-N 436.527 5.107 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CC=CCC4)cc3)CCC2)c1 1790467951 CJHVDWXYNITOSO-UXHICEINSA-N 427.548 5.418 30 20 IKED C=C(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1-c1ccc(C)cc1)C(F)(F)F 1800606112 GOFGZYXBKKKQIF-ACDBMABISA-N 442.481 5.032 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2CCCCC2)n[nH]1 1816705349 GRSQLFWNJZEVOP-OAQYLSRUSA-N 442.680 5.033 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3sccc3[nH]2)CC1 1828711668 KGNFQEOZKJOFNB-DENIHFKCSA-N 439.625 5.231 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccccc2CC)cc1 10173431 KVUMPTBEOBBOSO-UHFFFAOYSA-O 434.541 5.058 30 20 IKED Cc1ccc(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2ccc3c(c2)CCCC3)s1 22728702 MHTJNXLFEJSJGX-UHFFFAOYSA-O 449.665 6.397 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc(C)cc2)cc1 23604155 AQFSFGXMRDRENC-UHFFFAOYSA-O 434.629 6.182 30 20 IKED C=CCn1c(SCc2nc(C(C)C)no2)nc2sc(-c3ccccc3)c(C)c2c1=O 29142833 BZAXUPPNTCRJDG-UHFFFAOYSA-N 438.578 5.418 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)CCCc3nc4ccccc4s3)c2)c1 32291722 OMSREEOQWVAXPB-UHFFFAOYSA-N 427.529 5.708 30 20 IKED COc1cc(C2(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)ccc1C 97542537 CHUVUFFPWCVOEL-UHFFFAOYSA-N 426.516 5.433 30 20 IKED C=CCOc1c(Br)cc(CN[C@H](c2ccccc2)c2ccco2)cc1OC 237411403 PVQKEJKQPRLRJW-OAQYLSRUSA-N 428.326 5.495 30 20 IKED N#Cc1cc(N[C@@H]2CCc3c(O)cccc32)cc(N[C@H]2CCc3c(O)cccc32)c1[N+](=O)[O-] 302006067 VNZQETCYEZDATQ-RTWAWAEBSA-N 442.475 5.076 30 20 IKED CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1 303661375 WNTKHDUDCKLLCU-IBGZPJMESA-N 441.531 5.052 30 20 IKED COc1cc(C#N)ccc1OCC(=O)Nc1ccccc1-c1ccc(-c2ccccc2)cc1 410040817 JVHDUZMIUIJMDZ-UHFFFAOYSA-N 434.495 5.918 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1 431811688 RNFYSNCJOLEWQW-KRWDZBQOSA-N 425.838 5.015 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CC3(CC3)c3ccccc32)cc1Cl 434526273 OKYWOHONQQLXQM-FQEVSTJZSA-N 441.918 5.012 30 20 IKED CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 437487742 BEBVWLYXGITSBW-GOSISDBHSA-N 446.478 5.417 30 20 IKED C=CCN(C(=O)c1ccc(-c2noc(C(F)F)n2)cc1)c1nc(-c2ccccc2)cs1 439247826 OZWLBFMOKKIPFJ-UHFFFAOYSA-N 438.459 5.631 30 20 IKED N#CCC[C@@H](NC(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1ccccc1 439390972 ZJJKIPWGEIICSX-HSZRJFAPSA-N 439.581 5.101 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)NCC3CCC(C#N)CC3)C2)n1 441024615 GYSDJLRHUOKMPG-CTWPCTMYSA-N 438.597 5.038 30 20 IKED N#Cc1ccc(-c2nnc(CN3CCC(c4nc5cc(Cl)ccc5s4)CC3)o2)cc1 441253448 XKNVYYXFVDEAGO-UHFFFAOYSA-N 435.940 5.251 30 20 IKED Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)NCC2CCC(C#N)CC2)C3)cc1 442736007 HQTINHSCZPEUIE-UHFFFAOYSA-N 445.567 5.037 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)c2ccccc21 444181725 KIUWJMNDERONCX-LJQANCHMSA-N 426.520 5.492 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C(C)(C)C(F)(F)F)cc3)n2)cc1 447519439 GSTFBQWKUOJXRW-SFHVURJKSA-N 444.478 6.149 30 20 IKED COc1cccc(CO[C@@H](C)C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)c1 460177963 XGZADVLANVKAKX-SFHVURJKSA-N 434.923 5.359 30 20 IKED COc1ccc(SC)c(OC)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 460711517 DTGJKIXWFDBAGR-UHFFFAOYSA-N 434.517 5.650 30 20 IKED N#Cc1cc(N[C@H]2CSc3ccccc32)cc(N[C@@H]2CSc3ccccc32)c1[N+](=O)[O-] 462877124 XVMOBHXKXCXNRH-VQTJNVASSA-N 446.557 5.984 30 20 IKED N#Cc1cc(N[C@@H]2CSc3ccccc32)cc(N[C@@H]2CSc3ccccc32)c1[N+](=O)[O-] 462877125 XVMOBHXKXCXNRH-WOJBJXKFSA-N 446.557 5.984 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)c(Br)c1 463751373 UZUGGMGUZUIXOW-UHFFFAOYSA-N 447.251 5.865 30 20 IKED N#Cc1cc(NC(=O)N2CC[C@]3(CCOC3)C2)ccc1Oc1ccc(C(F)(F)F)cc1 465231005 CBRZWGCTBWVMQJ-NRFANRHFSA-N 431.414 5.014 30 20 IKED CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)NCc1cc(C#N)ccc1F 466202001 YUHGPCDZTYKJEL-UHFFFAOYSA-N 438.478 5.046 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)S(=O)(=O)c1cccc(Cl)c1C#N 468779076 BPXUQMBGZZVVCR-AWEZNQCLSA-N 431.970 5.025 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCC1CCC(C(F)(F)F)CC1 471923606 JSNJQCSGDXJCIE-QQFBHYJXSA-N 430.561 5.979 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 474506632 AVPMBUXAECVNCY-JRFVFWCSSA-N 430.939 5.306 30 20 IKED C=CCOc1cccc(NC(=O)NCc2cc(-c3c(OC)ccc4ccccc34)no2)c1 477579869 YQRHKMCACXUISH-UHFFFAOYSA-N 429.476 5.390 30 20 IKED N#Cc1cc(NC(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)ccc1OCC(F)(F)F 480269987 XNBHCZUUXNJKRD-QGZVFWFLSA-N 444.413 5.400 30 20 IKED C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)CC1 481698676 SMBZMDDDVGSROT-QFIPXVFZSA-N 436.600 5.352 30 20 IKED CC[C@H](CN(CC)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1 482253738 GYDCTTSPDQFAJO-LJQANCHMSA-N 446.551 5.065 30 20 IKED C=C(C)[C@H](NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1ccc(F)c(F)c1 483307373 WFXTVVIYWDUVEE-XZOYJPPVSA-N 427.539 5.277 30 20 IKED N#CCC[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1Br)c1ccccc1 483413614 HOJDGUOHBOYTRA-HNNXBMFYSA-N 426.236 5.634 30 20 IKED Cc1ccc([C@@H](NCc2ccccc2C(C)(C)C#N)c2cccc(S(C)(=O)=O)c2)cc1 486552616 WXLVMDGSGDLAAU-RUZDIDTESA-N 432.589 5.079 30 20 IKED C=C(C)Cn1c(S[C@@H](C)C(=O)Nc2cccc3ccccc23)nnc1-c1ccncc1 489390711 QIKKRQBVJYVHSG-KRWDZBQOSA-N 429.549 5.189 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cc1coc(-c2ccc(F)cc2)n1 499474097 UDKDKUJZNFXXIU-UHFFFAOYSA-N 443.453 5.576 30 20 IKED N#Cc1ccc(SCC(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1C(F)(F)F 499491927 PUOBYAZKLQHVLP-UHFFFAOYSA-N 442.846 5.123 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc([C@H]4CCCOC4)c3)cc2F)c1 499729804 HBCSBWOUQIUBPN-QFIPXVFZSA-N 430.479 5.423 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 501020934 MUYKGUNOUPXIHX-UHFFFAOYSA-N 432.867 5.021 30 20 IKED Cc1ccc(OCc2nc(CC(=O)Nc3nc(-c4cccc(C#N)c4)cs3)cs2)cc1 501128311 IFUMQBUBNGLXAO-UHFFFAOYSA-N 446.557 5.207 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)CC2)cc1 503449182 BYEISYDBWBZSRC-UHFFFAOYSA-N 440.459 5.580 30 20 IKED C[C@H](c1ccc(Cl)cc1)N(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C1CC1 507142355 IDWWODUGYZXNOU-MRXNPFEDSA-N 425.935 5.319 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cs1 507850559 XXDQQTGSKKVGDX-UHFFFAOYSA-N 446.576 5.051 30 20 IKED CN(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c1 508123746 WKVWNABOYWSFOQ-UHFFFAOYSA-N 430.961 5.278 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(n2cc(Cl)cn2)CC1 508921642 MHTHIBWMICBHAQ-UHFFFAOYSA-N 437.762 5.129 30 20 IKED Cc1ccc(CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C(C)C)s1 509228716 WRZMGXCCBAJWAX-UHFFFAOYSA-N 433.577 6.144 30 20 IKED CCN(C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C)[C@H](C)c1ccc(C#N)cc1 509574060 HYRZRHDHGCQSQU-MRXNPFEDSA-N 429.549 5.100 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(CC(=O)N(CC)c2ccccc2)cc1 511064174 MOMONCQSRYKULV-UHFFFAOYSA-N 433.577 5.564 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCc2cccc3cccnc23)cc1 511395266 CSMPDMOJZGFJBD-UHFFFAOYSA-N 436.515 5.244 30 20 IKED O=C(N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1ccc(F)cc1C(F)(F)F 511747690 ZKJSHYRYNKBAQK-ZDUSSCGKSA-N 431.254 5.479 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)nc2ccccc21 513676208 ATJRCNCTXIWSHS-SFHVURJKSA-N 437.528 5.037 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)Nc1cc(C#N)ccc1OC(F)F 514215412 QGPOYYJUFFIPRZ-UHFFFAOYSA-N 438.217 5.682 30 20 IKED COc1ccc(CCC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1OC 514537097 YWELPALPCACDKI-UHFFFAOYSA-N 432.495 5.189 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3cccc(OC4CCCC4)c3)s2)cc1 517479311 WLCFIIIBMZHQPH-UHFFFAOYSA-N 436.562 5.276 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccccc4Cl)o3)n2)cc1 517800648 ABTDCNLBANPXRW-KRWDZBQOSA-N 429.888 6.085 30 20 IKED Cc1cccc(NC(=O)CN(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1C 517903336 ILVBOVXUXXLRLH-UHFFFAOYSA-N 428.492 5.070 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(NC(=O)C2CCCC2)c1 518683052 GWIRIWAWTMUMMM-QGZVFWFLSA-N 436.581 5.389 30 20 IKED C[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)N(C)Cc1ccccc1 518963049 CDZFXUUGIHLWTF-HXUWFJFHSA-N 429.589 5.101 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1C 519947058 HCEIILRHNMZSJH-UHFFFAOYSA-N 445.526 5.128 30 20 IKED Cc1ccccc1CN(Cc1cccnc1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 522330289 NWGPBLJLSHGEMV-UHFFFAOYSA-N 437.465 5.172 30 20 IKED COc1ccc(CCCN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 524439186 KVDGUXHDNVECQW-UHFFFAOYSA-N 443.547 5.551 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2nnc(-c3cccc(Cl)c3)o2)cc1 533350209 GYMBMTDDANDHRT-UHFFFAOYSA-N 432.886 5.603 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnc(-c2cccnc2)s1 534137132 IXJGOYMYTFTOMO-UHFFFAOYSA-N 426.501 5.217 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cc1 534645025 IMENYQQXHGQCTF-UHFFFAOYSA-N 439.515 5.005 30 20 IKED Cc1ccc(-c2ncco2)cc1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 535482838 IZAUTUTYTZVMFD-UHFFFAOYSA-N 442.450 5.884 30 20 IKED Cc1ccc(C)c(Oc2ccc(CNC3CCN(Cc4ccc(C#N)cc4)CC3)cn2)c1 537297093 OSKNDTJWOBASKK-UHFFFAOYSA-N 426.564 5.117 30 20 IKED N#C[C@@H](C(=O)c1coc(-c2ccccc2Cl)n1)c1nc(-c2c(F)cccc2F)cs1 537383649 OFWADZTTXYWGPK-LBPRGKRZSA-N 441.846 5.887 30 20 IKED CCc1nc(C(=O)N(CC)c2ccc(C#N)c(Cl)c2)nn1-c1c(Cl)cccc1Cl 538073009 DNJOKSAECAKIJN-UHFFFAOYSA-N 448.741 5.328 30 20 IKED CCc1nc2ccccc2n1C1CCN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 538980170 FHGSXCLWFGDBGH-UHFFFAOYSA-N 431.540 5.127 30 20 IKED C[C@H](NC(=O)c1ccccc1Oc1ccccc1C#N)c1ccc(NC(=O)C2CC2)cc1 540873583 ILBHIGJMJDPOJC-KRWDZBQOSA-N 425.488 5.190 30 20 IKED CN(C(=O)c1ccc(Cl)c(C#N)c1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 541621160 CJDIMRURHKGFMW-UHFFFAOYSA-N 431.801 5.694 30 20 IKED COCc1ccc(C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1 542171262 ZDVXSMWDQSEGFB-CYBMUJFWSA-N 449.269 5.497 30 20 IKED COc1cccc(C=C2CCN(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)CC2)c1 543889935 WWSIHDVSLROYDU-UHFFFAOYSA-N 447.926 5.117 30 20 IKED C=CCc1cc(-c2nc(Cc3ccc(OCc4cccnc4)cc3)no2)cc(OC)c1OC 547035795 RFZYZGGBYZPRQZ-UHFFFAOYSA-N 443.503 5.047 30 20 IKED O=C(NCc1ccccn1)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 548511188 VHHHSIBNWVKEEK-CYBMUJFWSA-N 445.285 5.222 30 20 IKED C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC2(CC1)OCCc1ccsc12 549693074 MTXUVNLUYGJNDL-UHFFFAOYSA-N 445.592 5.132 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)C[C@@H](CC#N)c1ccccc1 551698018 IDOCZRDOHXQVSJ-MRXNPFEDSA-N 428.376 5.770 30 20 IKED Cc1cccc(-c2nn(Cc3ccccc3)cc2CN2CCC(C#N)(c3ccccn3)CC2)c1 558621271 ZIRGGQANUQDVAR-UHFFFAOYSA-N 447.586 5.359 30 20 IKED C=CCn1c(S[C@@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)nnc1-c1cccc(C)c1 558805843 QTVWFXGHUQHBHR-DYESRHJHSA-N 436.556 5.033 30 20 IKED C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)Nc1ccc(F)cc1OCC(F)(F)F 561894716 RSPTXCSBPMBONA-NSHDSACASA-N 438.343 5.615 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCc3c(Cl)cccc3C2)cc1 564423027 DHGLBZKGLDLINR-UHFFFAOYSA-N 433.895 5.603 30 20 IKED CC(C)(C)c1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1 567143514 MYXWJXIAKVBOQI-AWEZNQCLSA-N 431.348 5.694 30 20 IKED COc1ccc([C@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)cc1 569401017 HTONYHLCHRMLFK-RUZDIDTESA-N 435.531 5.215 30 20 IKED COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)N[C@@](C)(C#N)CSC)cc1 569853627 XXUVSBQOZVCNBS-SWHLDRTQSA-N 443.572 5.105 30 20 IKED Cn1cc(Oc2ccccc2C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cn1 576243669 QPJQBIKSZNZVCV-OAHLLOKOSA-N 436.443 5.104 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1nc2ccccc2cc1Br 581748014 JZUNIBHZAMKPDC-UHFFFAOYSA-N 434.318 5.850 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccccc3SC3CCCC3)CC2)c(F)c1 581994925 XBLXPJZMQSCBMP-UHFFFAOYSA-N 439.556 5.807 30 20 IKED N#Cc1ccc(N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)cc1[N+](=O)[O-] 589573830 OUCFSXOEALZZNM-QHCPKHFHSA-N 447.539 5.160 30 20 IKED Cc1ccc(C)c(Oc2ccc(CNC(=O)N[C@@H](CCCC#N)c3ccccc3)cn2)c1 590064282 CEIFUBOEMMGYEQ-QHCPKHFHSA-N 428.536 5.725 30 20 IKED COc1ccc(CCC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1Br 603477040 LICKYXYSZCPIDG-UHFFFAOYSA-N 442.338 5.024 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1Cl 603766697 UIMMUWANNPJHEW-JOCHJYFZSA-N 429.907 5.375 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604027255 RCXQSVIGOSSOMW-UHFFFAOYSA-N 446.894 5.164 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 604275967 DHYZDQOOJDWSPM-ULQDDVLXSA-N 449.439 5.001 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N3CCC(C(=O)c4ccc(Cl)cc4)CC3)c2)cc1 606356126 PYSTVOALRCNLJN-UHFFFAOYSA-N 443.934 5.690 30 20 IKED CCOc1cccc2cc([C@@H](C)NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)oc12 609055837 TZTJTBFQKFTCAW-MRXNPFEDSA-N 430.460 5.366 30 20 IKED C[C@@H]1CCCN(Cc2ccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cc2)C1 609057246 GEGHGDALTQLFRV-LJQANCHMSA-N 429.520 5.214 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCCc3nc4ccccc4s3)cc2)c1 609064370 RJYURFGZJZZTAW-UHFFFAOYSA-N 427.529 5.708 30 20 IKED Cc1cccc(-n2ncc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)c2C)c1 609105200 VMGZTEIIHUHNLI-UHFFFAOYSA-N 440.478 5.331 30 20 IKED COc1ccc([C@H](NC(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccccc2)cc1 609399356 PPYNLIYSIRFXSB-HOYKHHGWSA-N 431.561 5.858 30 20 IKED Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1ccccc1S[C@@H](C)CC#N 609429307 VSNZIWQOQHLHSL-AWEZNQCLSA-N 439.400 5.261 30 20 IKED Cc1ccc(C[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c2ccccn2)cc1 609686778 DGPRXWFSHDCZHK-RUZDIDTESA-N 449.514 5.555 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 609773056 TYRFEPAHUSUIJY-LLVKDONJSA-N 425.398 5.429 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c1 610171478 KYMNICCMCCINKT-UHFFFAOYSA-N 437.952 6.177 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccc(-n2cncn2)cc1 611181833 WAUFPOGNKNCOLF-INIZCTEOSA-N 443.894 5.076 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ccccc2F)o1)c1nc2cc(C(F)(F)F)ccc2s1 613404735 VGYJIKBQYZMYTA-ZDUSSCGKSA-N 430.382 6.204 30 20 IKED N#C[C@@H](C(=O)c1ccccc1Oc1cccnc1)c1nc(-c2ccc(Cl)cc2)cs1 623036491 ADAIKNXURGSDGF-IBGZPJMESA-N 431.904 6.141 30 20 IKED O=C(NCC1(c2ccc(F)cc2)CCC1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 623854469 YSLHZOHADXOEFQ-KBPBESRZSA-N 440.403 5.456 30 20 IKED Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 679188758 NZWAJOLRDFPJKD-UWVGGRQHSA-N 444.347 5.210 30 20 IKED O=C([C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 684566038 DEOIRYZGAMAVNN-AUZPSNTRSA-N 449.313 5.278 30 20 IKED CCN(C[C@@H](C)C#N)Cn1nc(-c2ccccc2OC)n(-c2ccc(Cl)cc2)c1=S 726963983 QDOZPNHVFBFBGZ-INIZCTEOSA-N 441.988 5.171 30 20 IKED N#CCOc1ccc(CNC(=O)CC2(Cc3nc4ccccc4s3)CCCCC2)cc1 727677609 KBXPEPPFSVQYGE-UHFFFAOYSA-N 433.577 5.398 30 20 IKED COC(=O)c1ccc(/C=C\C(=O)c2sc(-c3ccc(Br)cc3)nc2C)o1 727780285 JKJRMNWJHZCFSO-CLFYSBASSA-N 432.295 5.157 30 20 IKED CC(C)N(Cc1ccccc1)C(=O)CNc1ccc(OCc2cccc(C#N)c2)c(F)c1 728200996 ZTLFYSWQSZMQSV-UHFFFAOYSA-N 431.511 5.125 30 20 IKED Cc1c(Cl)cccc1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728298623 GYXDJYRNCCSKCL-INIZCTEOSA-N 437.902 5.677 30 20 IKED C=CCc1cc(CNCc2c(C)nn(-c3ccc(F)cc3)c2Cl)cc(OC)c1OC 729683243 IZKIKVNPNYHTGT-UHFFFAOYSA-N 429.923 5.009 30 20 IKED Cc1[nH]c2ccccc2c1C=Nn1c(S)nnc1COc1c(Cl)cccc1Cl 730584689 YJRMFCXEMBRBAO-UHFFFAOYSA-N 432.336 5.125 30 20 IKED N#C[C@@H](C(=O)c1cccnc1SC(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 733680732 DYMNQQUVEDAOPW-JTQLQIEISA-N 447.385 5.812 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)c1 733842490 XAWIYDZOGPBKAX-INIZCTEOSA-N 442.491 5.015 30 20 IKED Cc1ccccc1-n1c(SCc2cc(Cl)ccc2OCC#N)nnc1-c1cccnc1 735230768 IOTYDCZZMXVAEM-UHFFFAOYSA-N 447.951 5.486 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(Cl)c2)[n+]2cccc(O)c2Cl)c1 735667277 VJBVFUYUBZSYCJ-UHFFFAOYSA-O 442.347 5.291 30 20 IKED CCCN(CC)C(=O)c1ccc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 739596481 WIKJEKKRFQQXAH-UHFFFAOYSA-N 431.561 5.089 30 20 IKED O=C1/C(=C\c2cc(Br)cs2)COC/C1=C/c1cc(Br)cs1 741448211 SNVMYPPSPWYISA-LNUNWCPQSA-N 446.185 5.401 30 20 IKED CC(C)n1ncc2cc(/C=C3/C(=O)c4cccc(Br)c4[C@@H]3C)c(Cl)nc21 742435034 PHWNIINZFHFGFK-OXFWXOROSA-N 430.733 5.812 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H](O)c2ccc3ccccc3c2)cc1F 743238794 VVCNUNGBSQVIKK-QHCPKHFHSA-N 441.462 5.498 30 20 IKED N#C[C@@H](C(=O)CCc1nc2cc(Br)ccc2s1)c1ccc2ccccc2n1 744015715 BHZHWPMEMXWVIT-OAHLLOKOSA-N 436.334 5.416 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cc(Cl)cc(Br)c1 747204306 HAOHIOBDEDXUPA-KRWDZBQOSA-N 427.685 5.217 30 20 IKED C[C@H]1c2cc(Cl)cc(Cl)c2CCN1CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 756043089 YCMJSQPWKAKMFQ-UGSOOPFHSA-N 437.330 5.150 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)CSc3ccc(F)cc3)n2)cc1 756241326 CPCLTLWDTMBXGO-AUUYWEPGSA-N 426.538 5.562 30 20 IKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)OCC(C)(C)CC#N 764842782 BTRHSRFWMFWIGT-CQSZACIVSA-N 441.578 5.169 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)cc1 768867086 AEZWCKUSPWXECT-FCHUYYIVSA-N 441.428 6.296 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C[C@H](C)c1ccc(Br)cc1 769947414 ZQDZBDJAABWRAV-YWZLYKJASA-N 441.369 5.415 30 20 IKED C=CCn1c(SC[C@H](O)c2ccc(F)c(Br)c2)nnc1-c1ccccc1C 774629624 ACXUEPGKDDXBGE-SFHVURJKSA-N 448.361 5.167 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)nn1C1CCCCC1 776516805 NUQULWGDBSDUFM-NRFANRHFSA-N 442.519 5.450 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 780306133 RHZIKDIDJVOJBI-IBGZPJMESA-N 443.865 5.655 30 20 IKED Cc1cc(C=Nn2c(S)nnc2CSc2ccccc2)ccc1Oc1cccnc1 782245016 GJMNFWQCICTEOF-UHFFFAOYSA-N 433.562 5.237 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3ccccc3n2CC(F)(F)F)cc1 786316988 UKLYGCGIHGJYPV-KXBFYZLASA-N 441.453 5.678 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(O[C@H](C)c2ccccc2)cc1 788349941 AHPIQTTXFFDNMC-GCJKJVERSA-N 428.488 5.186 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc3nc(-c4ccccc4)oc3c2)ccc1OC 793500480 FFKXIQAWYKOLKO-HXUWFJFHSA-N 441.487 5.114 30 20 IKED CC(C)(C)OC(=O)N1CCCCC[C@H]1c1noc(C2(c3cc(F)cc(C#N)c3)CC2)n1 795667175 ORNRGBQUGGTAGC-SFHVURJKSA-N 426.492 5.012 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCSc2ccnc3cc(Cl)ccc23)s1 797568649 KRLNLXSNDDHWKB-HNNXBMFYSA-N 429.998 6.001 30 20 IKED Cc1ccc(C(=O)N(Cc2ccccn2)Cc2ccc(Br)cc2F)cc1C#N 799321989 CMNSMQMBRDSQPE-UHFFFAOYSA-N 438.300 5.006 30 20 IKED Cc1cc(OC(=O)[C@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)c(C)c(C)c1C#N 809036202 SJFOOXURDPIUCW-HNNXBMFYSA-N 441.578 5.038 30 20 IKED C#C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(Cl)cc1 810473776 HRFKEXORPBCZDI-LJQANCHMSA-N 445.931 5.046 30 20 IKED C=C(C)[C@H](NC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)C2)c1ccc(F)c(F)c1 814320754 CWZZFULAFQREDC-FQEVSTJZSA-N 449.542 5.015 30 20 IKED COc1cccc(/C=C/c2ccc(OC(=O)CCc3c(C)nn(CCC#N)c3C)cc2)c1 816408206 CWCVTPXXZPUQBF-CMDGGOBGSA-N 429.520 5.131 30 20 IKED CCOC(=O)c1sc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)nc1C 912609287 LRDNFVSLQAMYAE-UHFFFAOYSA-N 437.546 5.045 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915086336 TZDVGBHPNZCAEH-IBGZPJMESA-N 445.881 6.350 30 20 IKED CCOc1cc(/C=C/C(=O)c2cccc(F)c2)ccc1OCC(=O)N(C(C)C)C(C)C 916134224 HLMDARPOIVWRAT-ZRDIBKRKSA-N 427.516 5.145 30 20 IKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N(CCC(C)C)C1=O 916216757 YHRGKEXAHHMERG-OAQYLSRUSA-N 439.581 5.010 30 20 IKED COc1cc(C=NN(Cc2ccccc2)c2ccccc2)ccc1OCc1c(C)noc1C 916540442 XILGZSLVMKJGLN-UHFFFAOYSA-N 441.531 5.920 30 20 IKED C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916847332 OMKKKBDKQPQWIM-RDTXWAMCSA-N 449.576 5.217 30 20 IKED C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916906138 CCPDEFQRZABIDA-JPYJTQIMSA-N 440.499 5.082 30 20 IKED N#C[C@@H](C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1ccc(F)c(Cl)c1 916936502 MZXXBVBYUJQRLP-VXYHDWQYSA-N 445.199 5.512 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4ccc(C)o4)n3)n2)cc1 920138319 DPKXTTZNEKGJHR-QGZVFWFLSA-N 435.530 5.263 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4cccnc4n3)CCC2)cc1 1789454108 QKQUNINHSPQMFC-JOCHJYFZSA-N 440.547 5.146 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3csc(C(F)(F)F)n3)cc2)CCC1 1789881551 JPZAHCQKQRIZAI-UHFFFAOYSA-N 449.498 5.103 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(C)c(Cl)c3)CC2)C1 1805452366 WMSKXNUHXKPHGI-UHFFFAOYSA-N 429.004 5.262 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3cnccc3c2)[nH]n1 1819305884 QOWAVLJEPADUJO-JTHBVZDNSA-N 443.551 5.032 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)cc(Cl)c2)[nH]n1 1819311298 UTAGHZQICNUNGR-ICSRJNTNSA-N 444.938 5.277 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCCn2cccc2)n[nH]1 1819520762 AEXVQOVFIPQHOQ-OAQYLSRUSA-N 439.604 5.066 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](F)c2ccccc2)CC1 1829068137 GWZIGUKXGKDPDA-GOTSBHOMSA-N 428.592 5.309 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)cc2Cl)CC1 1832606929 BRCPUCLTUWUECS-FQEVSTJZSA-N 438.946 5.093 30 20 IKED COc1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2cccc(C)c2)cc1 15248090 GFBSZLDYFHPSTL-UHFFFAOYSA-O 446.379 5.649 30 20 IKED Cc1c(C#N)c(NC(=O)CN2CCC[C@@H](c3nc4ccccc4o3)C2)n(C2CCCC2)c1C 24668146 BRTSKQNBVKVIGO-LJQANCHMSA-N 445.567 5.051 30 20 IKED C[C@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 24718144 VTFOLBIUXYPULH-LBPRGKRZSA-N 442.541 5.197 30 20 IKED Cc1ccc(OCc2nc(CC(=O)Nc3cccc(C#Cc4ccccn4)c3)cs2)cc1 31081906 OMWXZQHNTDTECG-UHFFFAOYSA-N 439.540 5.007 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(Br)cc1F 32040244 RJUBJUOXTADHKQ-HTQZYQBOSA-N 436.165 5.228 30 20 IKED CCn1c(Sc2cc(C)c(C#N)c3nc4ccccc4n23)nnc1-c1ccccc1OC 301088300 UQQDNVZHSTVSEZ-UHFFFAOYSA-N 440.532 5.106 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c[nH]cc1-c1ccccc1F 426519073 ACCOZDYKUHWDKH-UHFFFAOYSA-N 425.463 5.832 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1c(C)c(C2CC2)nc2ccc(Br)cc12 427664638 SRPNWFFMTKTILW-UHFFFAOYSA-N 436.309 5.316 30 20 IKED Cc1c(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)sc2ccc(C#N)cc12 428099717 CXEYVBQUZAUTOQ-UHFFFAOYSA-N 430.489 5.248 30 20 IKED CCC(CC)N(C(=O)CCCOc1ccc(C#N)cc1OC)[C@@H]1CCCc2cccnc21 430160207 FQTFCKPQANCWTO-JOCHJYFZSA-N 435.568 5.216 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)c2cc(C(F)(F)F)ccc2Br)c1 431930235 DSYWKOHBKUQQKD-UHFFFAOYSA-N 435.146 5.193 30 20 IKED N#CCC[C@@H](NC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccccc1 436383670 FKUSWBUMSNEMQS-QZTJIDSGSA-N 443.391 6.043 30 20 IKED Cc1ccccc1-c1nc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)no1 436502417 GYKXQYSELRGHSI-UHFFFAOYSA-N 425.448 5.031 30 20 IKED C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 437896579 ODIRCNDLCFBZKF-NIYFSFCBSA-N 443.522 6.086 30 20 IKED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](c1cccc(SC)c1)c1cc(F)ccc1F 438052660 JGFNGPICKYDPCI-SSKFGXFMSA-N 432.536 5.057 30 20 IKED Cc1ccnc(Oc2cc(NC(=O)N3CCCN(c4ccccc4C#N)CC3)ccc2C)c1 438696042 ZQJOSDYCFRICBZ-UHFFFAOYSA-N 441.535 5.107 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(CCCN2CCCC2)CC1 443855261 PTJIITYMVVITRC-UHFFFAOYSA-N 446.595 5.779 30 20 IKED Cc1cccc2nc(C3CCN(C(=O)c4occc4COc4cccc(C#N)c4)CC3)oc12 444555817 UDMPVWXQOJIVSD-UHFFFAOYSA-N 441.487 5.200 30 20 IKED COc1ccc(-c2csc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)n2)cc1Cl 447553108 PNOVLNYMXGLTNC-UHFFFAOYSA-N 436.880 5.251 30 20 IKED C=CCOc1ccc(CN(C(=O)C2CCC(NC(=O)C(C)(C)C)CC2)C(C)(C)C)cc1 448396918 UKIHQMREZYUVDH-UHFFFAOYSA-N 428.617 5.100 30 20 IKED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@@H]1c1ccc(Br)cc1 460930056 DPCSIGIRFPFYPW-KFKAGJAMSA-N 431.378 5.056 30 20 IKED Cc1cc(=O)cc(C)n1CCCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 463587854 HGLQUYXNUHEHNV-HSZRJFAPSA-N 433.939 5.193 30 20 IKED Cc1nc(C(F)(F)F)sc1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 464409640 VUAXSENRDCKWDP-QGZVFWFLSA-N 431.439 5.044 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)c1sccc1C#N 466876352 FFDJBEZWWYAQDM-SNVBAGLBSA-N 432.368 5.305 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)o1 468780761 BFOIRYXDIMQPDF-UHFFFAOYSA-N 434.442 5.328 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)CCc3cc(Cl)cc(Cl)c3)ccc21 469970521 CCQDMCRJNXWQRD-UHFFFAOYSA-N 430.335 5.148 30 20 IKED Cc1ccccc1[C@H](C(C)C)N(C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470532338 ONUXDXIEZJCGHY-VWLOTQADSA-N 432.568 5.439 30 20 IKED Cc1csc(NC2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)n1 474816060 XATIUIXZIUEPKD-UHFFFAOYSA-N 434.590 5.191 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](CC)[C@@H](c1ccc(C)cc1)n1cncn1 475577420 DOWUNTVMXAGXIM-ILBGXUMGSA-N 431.584 5.628 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(Cl)c(C)cc1Br 480183132 WCKMKVNPLCNDGW-UHFFFAOYSA-N 427.726 5.106 30 20 IKED C[C@H](NC(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1c(F)cncc1F 481325494 ZZCUUFVLAKSHTI-RMLUDKJBSA-N 427.295 5.042 30 20 IKED C=CCC(C)(C)CNC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 489909053 PNSPMBLHFMCLHV-UHFFFAOYSA-N 436.812 5.209 30 20 IKED Cc1cc(C(=O)CCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C)s1 490646466 FMYRYPAGDJXTRJ-UHFFFAOYSA-N 432.545 5.612 30 20 IKED O=C(CN[C@@H](c1ccccc1OC(F)F)C(F)(F)F)Nc1ccccc1C(F)(F)F 491329013 KSTNWNIECVUSJC-HNNXBMFYSA-N 442.306 5.139 30 20 IKED CC[C@@H](NC(=O)Nc1cc(F)c(OC(F)F)cc1F)c1nc(C(F)(F)F)cs1 491335003 PTMNFELSCCQIMF-MRVPVSSYSA-N 431.333 5.314 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N(Cc3cccc(-c4cccnc4)c3)C3CC3)o2)cc1 492977461 SVNYWETUIZQVAR-UHFFFAOYSA-N 449.510 5.597 30 20 IKED CCN(Cc1ccncc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 496317076 ZYMVBPWSIAATLC-UHFFFAOYSA-N 445.470 5.073 30 20 IKED C=CCn1c(SCc2ccc(Oc3ccccc3)nn2)nc2cc(Cl)ccc2c1=O 498006794 DQGVRZXBPGVJHU-UHFFFAOYSA-N 436.924 5.111 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCCC(=O)c2ccccc2)cc1Cl 498212039 WQCDERBIEVMGHJ-HSZRJFAPSA-N 430.935 6.377 30 20 IKED Cc1ccc(-n2nc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c3c2CCC3)c(F)c1 499601923 GZODUIZBHBEIQL-OAHLLOKOSA-N 449.436 5.043 30 20 IKED Cc1c(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)sc2nc(C(F)(F)F)ccc12 499831909 HVSCBXCZXLBIQG-LBPRGKRZSA-N 444.265 5.925 30 20 IKED Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 501446036 GMXMSSBFLGSTSM-UHFFFAOYSA-N 425.410 5.306 30 20 IKED Cc1nc([C@@H]2CCCCCN2C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)no1 501837676 BYNYFGOBBAELKY-IBGZPJMESA-N 436.899 5.453 30 20 IKED COc1ccc(CC[C@H]2CCCCN2C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1OC 503284837 RLBLSHLPPJJZTI-JOCHJYFZSA-N 435.568 5.524 30 20 IKED C=CCOc1ccccc1CNC(=O)N[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C 506180548 XJUOFPLUUXXZAA-KRWDZBQOSA-N 437.565 5.252 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)s2)cc1 507061029 DWSNCWNIIAMFCV-SFHVURJKSA-N 448.592 5.680 30 20 IKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CN(C)Cc2ccc(C#N)cc2)c1 507214909 RETPXVMMMNJKEA-UHFFFAOYSA-N 438.531 5.060 30 20 IKED COc1cc(CSCCCC2(C#N)CCOCC2)ccc1OCc1cccc(C#N)c1 507694310 KSZFLOJKUNJSAH-UHFFFAOYSA-N 436.577 5.480 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 510395776 RYJSTSCOTOAWOD-JOCHJYFZSA-N 430.508 5.292 30 20 IKED COc1cccc(OC)c1Oc1ccc(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)cn1 510590365 WYZSGRAECMSJDZ-UHFFFAOYSA-N 446.507 5.014 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H]1Cc1cccc(F)c1 510905088 NMKDXGOUDZRMCP-JOCHJYFZSA-N 429.495 6.037 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)cc1 511025407 DNNBYUXQBQOYBP-RUZDIDTESA-N 447.579 5.659 30 20 IKED Cc1nc([C@H](NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2F)no1 513270043 YSKOLUUSYZUPMW-OAHLLOKOSA-N 447.310 5.074 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccccc1OC 514955315 QOPYFLMINZXZLC-OAHLLOKOSA-N 442.972 5.221 30 20 IKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)c2cccc(Cl)c2Cl)cc1 515699067 CYNBULSEWBCECB-UHFFFAOYSA-N 447.343 5.439 30 20 IKED C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 518147773 JIVIPEBCJFALEH-CXAGYDPISA-N 447.482 5.558 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2cc(Br)cs2)n1)c1nc2ccccc2s1 518177105 ZGWGHRARPHLIRF-JTQLQIEISA-N 446.376 5.734 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@@H](c3ccccc3)c3cc4ccccc4o3)cc2)nc1 518372262 KZYJTRVREBJNFK-MHZLTWQESA-N 445.478 6.011 30 20 IKED Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 523727754 KNZNMHAWURMRRN-HXUWFJFHSA-N 442.972 5.191 30 20 IKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cnn1-c1cccc(Cl)c1 524388000 BIABJTRZIKLRIP-UHFFFAOYSA-N 442.906 5.537 30 20 IKED CC(C)c1ccc(OC2CCN(C(=O)Nc3cc(C#N)ccc3OC(F)F)CC2)cc1 524435290 LMFVKXMTICDNDG-UHFFFAOYSA-N 429.467 5.358 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2cc(C#N)ccc2OC(F)F)ccc1OC1CCCC1 524436986 RBPZEGNDPPSVTO-CQSZACIVSA-N 445.466 5.372 30 20 IKED COc1ccccc1C1(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CC1 524442126 ROBCFWJDHYUGOM-UHFFFAOYSA-N 441.531 5.308 30 20 IKED Cc1ncc(Cl)c(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)n1 525202442 NTKDSAMGFBZSSH-UHFFFAOYSA-N 432.789 5.374 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)cc1C 525393800 XMOHBLRNNSLYJD-LAUBAEHRSA-N 436.918 5.159 30 20 IKED Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 530603558 DWXAFLFDSOOOIF-RXVVDRJESA-N 430.474 5.090 30 20 IKED N#CCCn1cc(CNc2ccc(NC(=O)c3ccco3)c(Cl)c2)c(-c2ccccc2)n1 532747455 CGSWVUJQULQAMK-UHFFFAOYSA-N 445.910 5.575 30 20 IKED N#CCCn1cc(CNCc2cccc(NC(=O)c3ccccc3)c2)c(-c2ccccc2)n1 533178321 FDEYBAYPKVYVLN-UHFFFAOYSA-N 435.531 5.006 30 20 IKED Cc1cccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1Br 536000032 SUSXUPGHAUNZFU-UHFFFAOYSA-N 445.367 5.025 30 20 IKED CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 537241097 KUTZKOSDFBJOSL-UHFFFAOYSA-N 431.448 5.005 30 20 IKED C[C@H]1[C@H](C)CCC[C@H]1n1c(SCCCC2(C#N)CCOCC2)nc2ccccc2c1=O 537309087 ZLBYIQWUCSRNPT-XQBPLPMBSA-N 439.625 5.586 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 539179878 ITFGEGAWGQIZCK-HFZDXXHNSA-N 425.532 5.192 30 20 IKED O=C(CCC(=O)c1ccc(F)cc1F)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 539893105 VBBMEJUZVQPQHN-UHFFFAOYSA-N 447.310 5.097 30 20 IKED C[C@@H](NC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)c1ccc(-c2cccc(C#N)c2)cc1 543016624 JCPQXHJJECIHEF-CLOONOSVSA-N 429.520 5.270 30 20 IKED C=CCSc1ccccc1NC(=O)COc1c(F)cc(Br)cc1C(C)=O 544081581 QEVUVPBXWYGPDF-UHFFFAOYSA-N 438.318 5.086 30 20 IKED N#Cc1cc(N2CCC[C@H]2c2ccc(Br)s2)nc2ccc([N+](=O)[O-])cc12 544133613 ULABGUPWLDYYDN-HNNXBMFYSA-N 429.299 5.180 30 20 IKED Cc1nc(C2CC2)oc1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 545366879 WHMLSXXNUNZHBV-UHFFFAOYSA-N 427.382 5.796 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](Nc2ccccc2)C1 549274789 RXSDCGJVOVHYRH-JOCHJYFZSA-N 426.568 5.007 30 20 IKED Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3cc(C#N)ccc3OC(F)F)cc12 551673567 MYSPREGNYGDVAB-UHFFFAOYSA-N 438.459 5.180 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@H](c3cccc(F)c3)C2)cc1 552625859 DRGJCMQZSYADRX-NRFANRHFSA-N 429.495 5.492 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCc2cc(Br)cc(F)c2C1 552970502 WJBRNHIWOKMDEN-ZDUSSCGKSA-N 448.361 5.573 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1c(F)cncc1F 554138056 KMLZXLBJRVTKLX-CXAGYDPISA-N 426.854 5.551 30 20 IKED CCCCS(=O)(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 559988962 IXTXLZHVNJZVRE-HXUWFJFHSA-N 438.574 5.182 30 20 IKED Cc1cccc(COc2cccc(NC(=O)C(=O)N[C@H](CCCC#N)c3ccccc3)c2)c1 560280210 COLZDIHWUSSMDS-RUZDIDTESA-N 441.531 5.064 30 20 IKED CCN(Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1)C(C)C 561975640 PRSKXIDSUILDKK-QFIPXVFZSA-N 428.561 5.402 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@]1(C)OCCc2sccc21 566590804 KJTWRSYZUBKBPI-XMMPIXPASA-N 433.533 5.330 30 20 IKED O=C(Cc1noc([C@H](F)c2ccc(C(F)(F)F)cc2)n1)Nc1cccc(C(F)(F)F)c1 573044003 HJJWVLKZSUXFNR-MRXNPFEDSA-N 447.310 5.347 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)cc2)ccn1 584263162 JGXRODFCGQOOIE-UHFFFAOYSA-N 449.470 5.642 30 20 IKED C[C@@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)Nc1ccc(Cl)cc1Cl 584872499 IATSRFONKJVGPJ-CYBMUJFWSA-N 427.291 5.491 30 20 IKED O=C(c1csc(-c2c(F)cccc2F)n1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 586803962 IWUVBGUEIBABQO-RKDXNWHRSA-N 444.347 5.291 30 20 IKED N#Cc1ccc(F)c(CSc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)c1 588762051 RTRZQVNHIMTMAH-UHFFFAOYSA-N 434.927 5.950 30 20 IKED N#CCCC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1ccccc1 590068627 IOVSKFYOWUCTLF-CTNGQTDRSA-N 430.474 5.018 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c1 604134558 KFXJFINKASGTII-LJQANCHMSA-N 427.460 5.376 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2)cc1 608806504 MTGBILKXXQXGCE-UHFFFAOYSA-N 435.439 5.647 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)cc1Cl 608994886 VSYUIYQADSQALU-ISKFKSNPSA-N 449.913 5.740 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(-c4cn5ccccc5n4)cc3)o2)cc1 609055880 WTHMJRQEAMVJAS-UHFFFAOYSA-N 434.455 5.297 30 20 IKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C 609079810 LERJIIMECJJZRZ-UHFFFAOYSA-N 431.511 6.027 30 20 IKED COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 609209052 USCGKKULHVTLQT-XMMPIXPASA-N 443.503 5.737 30 20 IKED N#CCCCCS(=O)(=O)N(Cc1ccc(OCc2ccccc2)cc1)c1ccccc1 609464742 HCTVUOCVTOULCH-UHFFFAOYSA-N 434.561 5.296 30 20 IKED N#C[C@H](NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)c1ccc(F)cc1 609600585 MLVAJJVWZDXEGZ-SFHVURJKSA-N 433.533 5.601 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c1 609629786 SLXVJDHBAXVXEU-JOCHJYFZSA-N 437.499 5.298 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(Sc3ccccn3)cc2)c1C 610054263 GXDJOZWUDHKQLE-UHFFFAOYSA-N 425.517 5.159 30 20 IKED Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 610296175 QAYWARFJHZRORS-GFCCVEGCSA-N 429.398 5.716 30 20 IKED Cc1cc(C#N)ccc1C(=O)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 610970227 JUZQUURFYWJCMO-VWLOTQADSA-N 444.579 5.196 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2nnc(/C=C/c3ccco3)s2)cc1 611218077 YWPLBLTVJHMRTK-VAWYXSNFSA-N 444.541 5.718 30 20 IKED C[C@H](NC(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1)c1cccc(C#N)c1 612469216 PLTQERRGDVVSJS-YVEFUNNKSA-N 440.263 5.375 30 20 IKED CCOc1ccc2c(c1)[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)CCO2 614100951 HFIXNOUNHDXMOM-HSZRJFAPSA-N 444.556 5.503 30 20 IKED Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)s1 620486923 MIIRSMFDKIRVJC-UHFFFAOYSA-N 446.528 5.671 30 20 IKED CC[C@H](C)n1ncc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1C1CC1 677710572 QIJYZKMNVOREFJ-SMDDNHRTSA-N 432.471 5.850 30 20 IKED CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1OC 726626246 BTYJVHPXKQLTIU-GIJQJNRQSA-N 430.938 5.025 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)CCCc2nnc(-c3ccccc3)o2)c1 728181860 GZGCMRBZWONHDX-UHFFFAOYSA-N 427.529 5.336 30 20 IKED Cc1cc(C(=O)NCc2cccc(COCc3ccco3)c2)c(C)n1-c1ccc(C#N)cc1 728267071 APEADBKITUAFCU-UHFFFAOYSA-N 439.515 5.206 30 20 IKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CCCCC#N)c1 728778849 GCCATJHODQXYPA-QFIPXVFZSA-N 448.592 5.212 30 20 IKED Cc1ccc(C(=O)N[C@@H](CC(=O)N(CCC#N)c2ccc(C)cc2)c2ccccc2)cc1 729841129 FKSWFYJSGRRRKN-VWLOTQADSA-N 425.532 5.112 30 20 IKED CC[C@H](C)Oc1ccccc1/C=C/C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 729893132 YZQCFTAEAXYQCM-GKNDUNIFSA-N 432.545 5.886 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)n1 730397459 ULLAQAXCXYBEDC-YLJYHZDGSA-N 440.521 5.169 30 20 IKED N#CCSc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 731649365 LPPRMUGRVYWANR-QHCPKHFHSA-N 441.556 5.532 30 20 IKED CCCN(Cc1c(F)cccc1Cl)C(=O)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1 733655727 AFSXBZQOTFTSBU-QGZVFWFLSA-N 447.938 5.290 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)/C(=C/c2ccccc2OC)c2ccccc2)c1 733773145 RIGDBAYKKKDZHB-QADUPLGGSA-N 426.516 5.233 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@H](C)c3cccc(C(F)(F)F)c3)n2)cc1 739159238 JHYQDRWWXSOIDU-IFXJQAMLSA-N 444.478 6.208 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)c(Cl)c1 740774528 AJXLPWKNYKZEQS-UHFFFAOYSA-N 445.972 6.141 30 20 IKED COc1ccccc1-c1ccc(C(=O)/C=C/c2cc3cnn(C(C)C)c3nc2Cl)cc1 741468621 GBZIMQUPXFWGEM-OUKQBFOZSA-N 431.923 6.237 30 20 IKED CC(C)(C)c1ncc(/C=C\C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1 744037860 GQYKDJUKRFPMPV-SZZPACECSA-N 435.496 5.959 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@@]12CCCc1ccccc12)c1nc2cc(C(F)(F)F)ccc2s1 744038408 UFPLHIGEODLONJ-ULYRPOKDSA-N 426.463 5.786 30 20 IKED N#Cc1ccc(NCCNC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)nc1 746120806 DJRONEOMYFJJEB-UHFFFAOYSA-N 446.510 5.042 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 746166967 KMHKXLBVUHBDPN-YLJYHZDGSA-N 439.581 5.675 30 20 IKED CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 751544371 XCFDHKAVFWDYQD-QHCPKHFHSA-N 448.498 5.108 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3cc(C)cc(Br)c3o2)cc1 753951624 XZQWZBJSAPCVML-INIZCTEOSA-N 425.282 5.027 30 20 IKED C[C@H](C#N)CN(C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F)C1CC1 754436696 YQDPKYVEKMMNGY-GFCCVEGCSA-N 426.439 5.208 30 20 IKED C/C(=C\c1ccccc1Cl)C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 756293366 WXVLYZZYUGGNSG-KFXIKWRMSA-N 428.941 5.177 30 20 IKED Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)CCCCOc1cccc(C#N)c1 760026060 DBYRBIVCVPLBHV-OAQYLSRUSA-N 442.991 5.285 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)O[C@H]2CCO[C@@H](C3CCOCC3)C2)c1 763118843 HKLBSHCPBLAVDS-JTHBVZDNSA-N 441.911 5.135 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN[C@H](c2ccc(F)cc2)C(C)(C)C)c1=S 764900896 WZWGLWJKSOUCKL-HXUWFJFHSA-N 425.577 5.526 30 20 IKED N#C[C@H](NC(=O)c1cc(F)c(Cl)nc1Cl)c1ccc(OCc2ccccc2)cc1 768137562 MOXDVGLPKAIVMZ-SFHVURJKSA-N 430.266 5.101 30 20 IKED O=C(/C=C/c1nc2ccc(Br)cc2s1)c1cc(Br)ncc1F 773143102 MJMBPQJKGMUBFO-ONEGZZNKSA-N 442.107 5.252 30 20 IKED Cc1nc(NCC(=O)O[C@@H](C)c2cccc(C#N)c2)c2cc(-c3ccccc3)sc2n1 776083016 MYTSOWKWYKQFMM-HNNXBMFYSA-N 428.517 5.255 30 20 IKED CC(C)(C#N)CCOC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 776393647 IPDWUPUCCUHCKB-JVDDPLHJSA-N 425.413 5.592 30 20 IKED CN(CCC#N)c1ccc(CN[C@@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)cc1 778218175 QDOOPZJMPIFOAC-XMMPIXPASA-N 434.584 5.551 30 20 IKED CC(=O)C1=C(c2ccc(C)cc2)N(Cc2cccs2)C(=O)N[C@H]1c1scnc1C1CC1 783880243 XRFAMXHLYFXZNM-OAQYLSRUSA-N 449.601 5.657 30 20 IKED CC(C)[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H](O)c1ccccc1 788570059 CIZJRKXWORBWPZ-CLJLJLNGSA-N 443.547 5.211 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)cc1 789964494 ALDHMAIRGOSYNA-HNNXBMFYSA-N 432.480 5.051 30 20 IKED CCc1c(NC(=O)NCc2cccc(O[C@@H](C#N)CC)c2)cnn1-c1ccc(Cl)cc1 792487672 HTJBHAXMKQUKPU-LJQANCHMSA-N 437.931 5.091 30 20 IKED CN(C(=O)COC(=O)C[C@@H](CC#N)c1ccccc1)[C@@H](c1ccccc1)c1ccc(F)cc1 795982990 OKIRDPQWJWLTME-KCWPFWIISA-N 444.506 5.004 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797572014 SRJKEICKLWAYQP-MRXNPFEDSA-N 427.570 5.597 30 20 IKED O=C(/C=C/Sc1cc(F)ccc1F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 797827068 TVWZZHOVJLFUSR-HIHHVFROSA-N 433.364 5.596 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)N(C)CC(F)(F)F 798816449 LVUVJTVKXPHGEJ-BXKDBHETSA-N 436.286 5.176 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1nc2ccccc2cc1Br 808011305 SCAMFXZADFZBEE-UHFFFAOYSA-N 431.673 5.140 30 20 IKED Cc1cc(C(F)(F)F)nn1CC(=O)O[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F 810881438 SFCZIZGETFMENO-CYBMUJFWSA-N 434.258 5.076 30 20 IKED N#Cc1ccc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)c(C(F)(F)F)c1 811624936 XEWGFNPEIUIXII-OMCISZLKSA-N 449.866 5.508 30 20 IKED Cc1c(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)cnn1-c1ccccc1 818253836 YPNUYVRCGUFOON-PFONDFGASA-N 441.918 5.983 30 20 IKED COc1ccc(CCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1Br 915104058 JEHXFYUAVWTKOV-ZDUSSCGKSA-N 448.267 5.012 30 20 IKED C#CCOc1ccc(/C=C(/Cl)c2nc(O)c3c4c(sc3n2)CCCC4)cc1OCC 916140660 DQDKABXFLOHHAH-FOWTUZBSSA-N 440.952 5.423 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccco2)c(C)c1 916207630 HQOUJSSFYYTXJC-NRFANRHFSA-N 433.533 5.057 30 20 IKED N#C[C@H](C(=O)/C=C/c1nc2ccccc2s1)c1nc2cc(C(F)(F)F)ccc2s1 917042932 JDMFTEFCXIOKFB-WAFBPQNNSA-N 429.448 5.814 30 20 IKED C=CC(=O)NCc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 921151656 YZPQLHLUOZWPSR-QFIPXVFZSA-N 429.907 5.050 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)/C(C)=C/c3cccs3)CCC2)cc1 1786676610 YVLHQQKQKBPFLI-BMRADRMJSA-N 426.607 5.205 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)CSc3ccc(C)cc3)CCC2)cc1 1786679053 XWESHCLNIPDHFI-UHFFFAOYSA-N 440.634 5.140 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(F)s4)cc3)CCC2)cc1 1786978932 BMELULLXOMKIMQ-UHFFFAOYSA-N 433.508 5.015 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C(C)C)cc3)cc2)CCC1 1791394528 GHUVPVUOIQRXQH-FQEVSTJZSA-N 449.595 5.288 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3c3ccc(F)c(F)c3)CCC2)cc1 1791580453 CSVUMEWIWIPROI-SFTDATJTSA-N 436.502 5.006 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OC(C)C)c(Cl)c1)C2 1798339751 CAEQIQOVLXFOME-WOZUAGRISA-N 445.003 5.147 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CSC2CCCC2)n[nH]1 1815184420 HIQHDFDIUNBUCZ-LJQANCHMSA-N 432.634 5.070 30 20 IKED CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)CC1 1820486344 ILPXABLZIFPEGR-LEDOBFOHSA-N 447.583 5.194 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSC2CCCC2)CC1 1823750673 DQMUAJMDJBXOMN-JOCHJYFZSA-N 434.690 5.274 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cnc2Cl)CC1 1826192550 UVMBKNONBNPGFR-JOCHJYFZSA-N 444.019 5.045 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c4cccc(Cl)c34)CC2)C1 1828742152 YCKCMOQRZXRIMT-QFIPXVFZSA-N 439.987 5.021 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 1831373311 BTIVXUHTBZVGAQ-IIBYNOLFSA-N 437.411 5.439 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](c2ccccc2)C(C)C)CC1 1831442207 PMUPSRQUEJUZJW-DHIUTWEWSA-N 446.582 5.257 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc(Cl)c2)CC1 1832627911 MCJYLZUDXPPEKO-GOTSBHOMSA-N 446.994 5.481 30 20 IKED N#Cc1ccc(CCC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 10408166 ZSNLNEBNFVCLBP-UHFFFAOYSA-N 437.421 5.401 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 10972242 KZUWNBAPMBMYOS-ZDUSSCGKSA-N 431.439 5.030 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(OCC)cc2)nnc1-c1ccc(Cl)cc1 16862741 AGLVIVHCQHOVCD-OAHLLOKOSA-N 442.972 5.303 30 20 IKED CCn1c(S[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1cccs1 21649087 IJDUXIRGELWSRQ-QGZVFWFLSA-N 439.610 5.071 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2cc(C)[nH]c2C)[n+]2ccc3c(c2)CCCC3)c1 23604592 PWHQEDSJICXFEU-UHFFFAOYSA-O 432.613 5.411 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1Br 33195881 WLPFFVLEJIXWAR-HTQZYQBOSA-N 436.165 5.228 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccccc1OC 36832928 JUHPOIDRBSUYSQ-SFHVURJKSA-N 436.581 5.184 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1ccccc1)c1ccc(OCC)cc1 63402562 DYVNMHBFUKJQFT-AREMUKBSSA-N 425.532 5.444 30 20 IKED CC(C)(C)c1ccc(-c2nnc(Sc3cnc(C#N)cn3)n2Cc2ccccc2)cc1 302244200 RAYCBIXCZALTRL-UHFFFAOYSA-N 426.549 5.104 30 20 IKED CCC(=O)c1ccc(OCCCCC(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)cc1 409572739 FUMHOPIGIVMXAV-UHFFFAOYSA-N 444.535 5.141 30 20 IKED C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)o1 409819602 WMLNCBRHPBRMCS-XECWOPBBSA-N 428.507 5.746 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(F)cc1I 426839786 GNFCGCWEVZLVOC-UHFFFAOYSA-N 442.231 5.221 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(c2ccncc2)CC1 429734762 JRWXLTXAAZNUGQ-UHFFFAOYSA-N 426.520 5.252 30 20 IKED COc1ccccc1CSc1ccccc1N[C@@H]1CCN(c2sccc2C#N)C1=O 431214875 YBJSPKPFWHWPGP-LJQANCHMSA-N 435.574 5.138 30 20 IKED N#Cc1ccsc1N1CC[C@@H](Sc2nnc(-c3ccc(F)cc3)c3ccccc23)C1=O 434793228 KIDRWYVCGFOTLY-LJQANCHMSA-N 446.532 5.267 30 20 IKED Cc1oc(C#N)cc1C(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 435705736 OIYJGEYMHSJOKL-UHFFFAOYSA-N 433.851 5.599 30 20 IKED Cc1ccc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1NC(=O)c1ccccc1F 436352594 NZCZLUXIYLERJW-RDGATRHJSA-N 441.506 5.298 30 20 IKED COc1cc(CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)ccc1OC(F)F 436407739 INDLWRCTJOZJHL-CQSZACIVSA-N 443.334 6.099 30 20 IKED CC(C)(C)n1cc(C(=O)[C@H](C#N)c2nc3ccccc3s2)c(-c2ccc(F)cc2F)n1 442621243 UDCNAEKSOBJRFH-HNNXBMFYSA-N 436.487 5.683 30 20 IKED CC(C)(C)C(=O)NCc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 442670252 IUGXFFUAGPFNHT-INIZCTEOSA-N 425.941 5.102 30 20 IKED Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2cn(CCCC#N)c3ccccc23)n1 444279371 VXFHPWBIAIDKDV-UHFFFAOYSA-N 437.547 5.195 30 20 IKED C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)N(CCC#N)Cc2ccco2)cc1 446424922 OAWPONTZMUROJO-SFHVURJKSA-N 433.533 5.014 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccnc(Oc3ccc(F)cc3F)c2)c1C 447513816 ZDIWRJRHKPNSKL-UHFFFAOYSA-N 445.429 5.079 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cn(CCCC#N)c4ccccc34)n2)cc1 447520474 KLPDRWLTHHLABT-HXUWFJFHSA-N 440.528 5.567 30 20 IKED CC[C@H](Nc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1)c1ccc(C#N)cc1 447600711 NDAFVVFZEKPCRY-JTSKRJEESA-N 435.959 5.788 30 20 IKED C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]1c1cccs1 460944203 DGTCOFXQBXQDNS-QGZVFWFLSA-N 426.611 5.558 30 20 IKED CC(C)(CNC(=O)c1occc1COc1cccc(C#N)c1)c1c(F)cccc1Cl 464166002 GVOMOKRVZNSJTA-UHFFFAOYSA-N 426.875 5.230 30 20 IKED CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1c(C)nn(C)c1C 466262864 SEGDQLRBVPNBEY-FQEVSTJZSA-N 437.931 5.627 30 20 IKED N#CCCCN1C(=O)CCc2cc(NCC3=Cc4cc(Cl)cc(Cl)c4OC3)ccc21 469122548 HIRSHIXQWBLDBP-UHFFFAOYSA-N 442.346 5.464 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@H]3CCCC[C@@H]3Cc3ccccc3)ccc21 470554760 CSHXBJFNMWBIOJ-QPPBQGQZSA-N 444.579 5.193 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)C3(c4cccc(F)c4)CCCCC3)ccc21 470847252 DKQARIDOJRIICO-UHFFFAOYSA-N 433.527 5.249 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccccc3Oc3ccccc3)ccc21 470851744 POCUTHBGIRUUDD-UHFFFAOYSA-N 425.488 5.314 30 20 IKED Cc1ccc([C@@H](NCCC(=O)Nc2sc3c(c2C#N)CCCCC3)c2ccccn2)cc1 471074283 LEEPYRYMYJINMT-RUZDIDTESA-N 444.604 5.300 30 20 IKED CC(C)Oc1cc(Br)cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1 473931910 JWDKRZKKUDJQIB-OAHLLOKOSA-N 448.267 5.471 30 20 IKED CC[C@H](C)Oc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 476178435 WFDGVMLLRRZPEF-KRWDZBQOSA-N 429.476 5.105 30 20 IKED N#Cc1cc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)cnc1C(F)(F)F 476731380 GEHFRGGXQJHYJM-UHFFFAOYSA-N 427.348 5.011 30 20 IKED O=C(NCC1(C(F)(F)F)CCC1)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 478593451 TXMSYPUUBXRGFA-UHFFFAOYSA-N 430.299 5.071 30 20 IKED C=C(C)[C@H](NCc1csc(N(C(C)=O)c2ccc(C)cc2)n1)c1ccc(F)c(F)c1 479418486 UPXLTLZSYHFXSR-QFIPXVFZSA-N 427.520 5.821 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1)C1CC1 479586174 LOZOAANYFBNOHI-UHFFFAOYSA-N 441.556 5.473 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(NS(=O)(=O)CCC)c1C 480560356 WZAAPTZCBMNLPN-UHFFFAOYSA-N 442.006 5.082 30 20 IKED C=C(C)Cn1c(SCc2ccc(C(=O)Nc3ccccc3)cc2)nnc1-c1ccncc1 481342966 JEULYVSLPYVYIP-UHFFFAOYSA-N 441.560 5.461 30 20 IKED C=C(C)[C@H](NC(=O)c1c(Cl)cccc1I)c1ccc(F)c(F)c1 484426459 CWOKTAUBAXCBGJ-INIZCTEOSA-N 447.650 5.270 30 20 IKED COc1ccc(CNC(=O)c2ccccc2-c2ccccc2C#N)cc1OC1CCCC1 485229402 JJIAGPDUAXJJSV-UHFFFAOYSA-N 426.516 5.485 30 20 IKED O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1cc2ccccc2n1CC(F)(F)F 485547031 OYYHCNDQBHMYNT-UHFFFAOYSA-N 434.311 5.536 30 20 IKED N#CCCC[C@H](NC(=O)c1cc(C(F)(F)F)ccc1Br)c1ccccc1 487385042 CGQTYIFLGKBIBK-KRWDZBQOSA-N 425.248 5.633 30 20 IKED C=CCn1c(S[C@H](C)c2nc3ccccc3n2C(F)F)nnc1-c1cccc(OC)c1 488891743 PCXXAKKUJAKWAH-CQSZACIVSA-N 441.507 5.738 30 20 IKED N#Cc1ccsc1NC(=O)CSc1nnc(Cc2ccccc2)n1C1CCCCC1 489398568 FVLXBIKCIIGMJL-UHFFFAOYSA-N 437.594 5.038 30 20 IKED N#CC1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc(F)cc2)CCC3)CC1 489485598 RYNIUVGOBCKXEA-SILNSSARSA-N 425.507 5.627 30 20 IKED C=CC[C@@H](C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1)c1ccccc1 489722590 ZVOUPQPBFKBICE-KBXCAEBGSA-N 426.314 5.036 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C(=O)N3CCc4ccccc4C3)C(C)C)o2)cc1 489790607 WNIWWIHPOALAAI-QFIPXVFZSA-N 449.576 5.003 30 20 IKED N#Cc1ccc(-c2nnc(CN[C@H](CC3CC3)c3cc(F)cc(Br)c3)o2)cc1 495248673 MHLUMOMOUIVFNJ-LJQANCHMSA-N 441.304 5.141 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Nc1cccc(NC(=O)c2cccs2)c1 495503426 NTXFYPYWUCILTN-INIZCTEOSA-N 425.579 5.077 30 20 IKED CC(C)c1nc(C(=O)Nc2sc3c(c2C#N)CCCC3)nn1-c1ccccc1Cl 498291298 FZKYLPOFKLTJHL-UHFFFAOYSA-N 425.945 5.108 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)cc1C 498308718 KVPCKVPFUUSJFN-KRWDZBQOSA-N 438.478 5.173 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 498897235 DXYLUBRMFUTPRB-QGZVFWFLSA-N 447.926 5.019 30 20 IKED N#Cc1cn(Cc2cn(-c3ccccc3)nc2-c2ccccc2)c2ccc(Cl)cc2c1=O 502857536 QODWFDRGTWRYIR-UHFFFAOYSA-N 436.902 5.428 30 20 IKED N#Cc1ccc(CC(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)cc1 504061340 UHTGYSZVIGXENP-UHFFFAOYSA-N 435.361 5.190 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(OC3CCCC3)CC2)cc1 506641930 IHGPHPTWTYLAMA-UHFFFAOYSA-N 433.552 5.287 30 20 IKED CC1(C#N)CCN(C(=O)Cn2c(-c3cccc(Cl)c3Cl)nc3ccccc32)CC1 507825888 AWYDAVCTWPCQSD-UHFFFAOYSA-N 427.335 5.162 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc(F)ccc1I 508987533 NNVBZCFEKRIZIO-UHFFFAOYSA-N 448.260 5.283 30 20 IKED N#CCCSc1ccccc1NC(=O)c1ccc(Br)c(OC(F)(F)F)c1 509488678 YIBUFSXOWXTJTO-UHFFFAOYSA-N 445.260 5.606 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3[C@H]4CC[C@@H]3C[C@H](c3ccccc3)C4)s2)cc1 510259127 XFDNVXOJPSNVRW-KOUNCHBCSA-N 428.561 5.548 30 20 IKED CCCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 511332550 IOUAMMNJHDBNGB-HSZRJFAPSA-N 445.950 5.373 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 511948852 YIRVITGFZVEWEW-UHFFFAOYSA-N 441.478 5.458 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)C3(c4ccc(F)cc4)CCOCC3)c2)cc1 512196905 PBGXEGFYHCDTFJ-UHFFFAOYSA-N 444.506 5.158 30 20 IKED CC(=O)c1ccccc1NC(=O)[C@H](C)Sc1nc2c(c(-c3ccco3)c1C#N)CCC2 512771237 SULUIVBJMQGXCY-HNNXBMFYSA-N 431.517 5.024 30 20 IKED Cc1ccc(Cc2ccccn2)cc1NC(=O)c1ccccc1Sc1ccccc1C#N 512781855 YYTKWWOKXZIZTL-UHFFFAOYSA-N 435.552 6.256 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1sc2c(c1C#N)CCC2 512962448 QZMDFPIIZIILKS-LBPRGKRZSA-N 443.981 5.677 30 20 IKED C=CCN(C(=O)Cc1csc(Cc2cccc(Cl)c2)n1)c1nc2c(s1)CCCC2 516464332 ZYQNMLPBIOMDAM-UHFFFAOYSA-N 444.025 5.484 30 20 IKED C[C@@H](COc1cccc(F)c1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 517309321 GPVHYCOAKJDZJX-SFHVURJKSA-N 433.483 5.060 30 20 IKED C=CCN1CCC(NC(=O)[C@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)CC1 517353552 SJOMVUBJWSRUJQ-OAQYLSRUSA-N 435.420 5.593 30 20 IKED CCN(CC)C(=O)Cc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1 518027575 RHQJOJIOMCLOKN-UHFFFAOYSA-N 445.494 5.153 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1CN1CCC[C@@H](C)C1 518169678 SJPPYZXGNWRVPQ-UXHICEINSA-N 436.625 5.492 30 20 IKED C=CCOc1ccccc1-c1nc(Cc2nc(O)c3c(-c4ccccc4)csc3n2)no1 518831279 LNDKIBXOGJLSGN-UHFFFAOYSA-N 442.500 5.270 30 20 IKED CCc1noc(-c2ccc(CCNC(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)n1 521809356 CEVLOPXSMYTFNK-MRXNPFEDSA-N 435.553 5.057 30 20 IKED C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1cc(F)c(Cl)cc1Cl 523955531 WACWWMDJOBHKSJ-LBPRGKRZSA-N 433.266 5.667 30 20 IKED CC[C@H](C)n1ncc2c(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc(C)nc21 523959588 YAIFUIKXYQDTQV-KSSFIOAISA-N 449.967 5.978 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)cc2)c1 524144050 BOJSXUVAGFCUIQ-UHFFFAOYSA-N 438.237 5.274 30 20 IKED C=CCn1c(S[C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)nnc1-c1ccco1 525003865 ZJHAEXPCQGGALO-CYBMUJFWSA-N 427.917 5.205 30 20 IKED CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc(C2(C#N)CC2)cc1 539595090 NGOMEBACDXCRIP-UHFFFAOYSA-N 430.335 5.039 30 20 IKED N#Cc1ccc(-n2ccc(NCC(=O)Nc3ccccc3-c3ccccc3)n2)c(Cl)c1 542005894 HIRBRFNCUXUIDA-UHFFFAOYSA-N 427.895 5.115 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542014186 ABJUSZKMMGTKTJ-LJQANCHMSA-N 449.558 5.317 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1cccc(F)c1F)C(F)(F)F 544128117 CEQCJJQDHBJZNY-BUXKBTBVSA-N 443.441 5.191 30 20 IKED Cc1nc(CCC(=O)N[C@@](C)(C#N)C2CCCCC2)oc1-c1ccc(Br)cc1 550351483 LWYLGDFYYBHPKS-QFIPXVFZSA-N 444.373 5.324 30 20 IKED Cc1cccc(COc2ccc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)c(C)c2)c1 550353804 YCPCECOAHWNOOS-UHFFFAOYSA-N 425.410 5.420 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)Cc1cnc2ccccc2n1 559713366 QPWMTWZQOUZTFC-IBGZPJMESA-N 438.506 5.361 30 20 IKED O=C(NCCC1(F)CCC1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 561645142 UWDYEMLMTZOCNX-AUPQCFOMSA-N 429.420 5.507 30 20 IKED C=C(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(OC2CCCC2)CC1 564588945 OHUMKJHHXBIWPS-UHFFFAOYSA-N 431.584 5.306 30 20 IKED O=C(Nc1cccnc1C(F)(F)F)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 567196930 CNMYWXXKXGLFTJ-NSHDSACASA-N 431.258 5.544 30 20 IKED Cc1c(Br)ccc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1F 568819034 ALIGCQOZUGVNMW-UHFFFAOYSA-N 426.245 5.208 30 20 IKED N#CCCCOc1cccc(NC(=O)C2CCN(c3noc4ccc(Cl)cc34)CC2)c1 569574145 MUIQIKSCHLXDCM-UHFFFAOYSA-N 438.915 5.019 30 20 IKED COc1ccc2c(c1)C1(CC1)CN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1)C2 578561590 LRMKVYBEUQHPNN-UHFFFAOYSA-N 425.488 5.438 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(-c2cn3cccnc3n2)c1 603827257 DSAGSNSNCXNHKX-UHFFFAOYSA-N 447.523 5.671 30 20 IKED C[C@H]1Sc2ccc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)cc2NC1=O 603990889 BZTAYTHTIBTKDI-GFCCVEGCSA-N 431.542 5.070 30 20 IKED Cc1c(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)oc2ccc(F)cc12 604434606 ZEJJPXSZWRALJZ-UHFFFAOYSA-N 430.504 5.974 30 20 IKED C=CCn1c(SCC/C=C\c2ccc(Br)cc2)nnc1-c1ccncc1 604930549 QUXKEKDOKLPKJK-HYXAFXHYSA-N 427.371 5.484 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Oc4nccs4)c3)n2)cc1 606146708 OFHFEKFUGATACP-SFHVURJKSA-N 433.514 5.558 30 20 IKED COc1cc(C(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)cc(OC)c1OC(F)F 608361413 INUQDMSSQHNJFY-UHFFFAOYSA-N 441.299 5.212 30 20 IKED CC(C)C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1nc2ccccc2[nH]1 609055462 HAWWJHUHKZZOGY-JOCHJYFZSA-N 428.492 5.124 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)o2)cc1 609059547 PZBBHAPLYNOONE-UHFFFAOYSA-N 435.439 5.647 30 20 IKED CCN(CC)Cc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)o1 609062344 MNRXEGITJDTLLT-UHFFFAOYSA-N 437.927 5.478 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCCOc1ccc2ccccc2c1 609388930 MKMKWTDKWWJNHI-GOSISDBHSA-N 436.602 5.842 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC(C)(C)c1ccc(Br)cc1 609399428 WDQOWPWLGKGHOW-CQSZACIVSA-N 432.387 5.758 30 20 IKED Cc1ccc(NC(=O)NC(=O)[C@H](C)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(C)c1 609432507 VCIZMHGLMKNMAM-SFHVURJKSA-N 428.492 5.116 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCN(CCCc2ccccc2)CC1 609435505 RZCYJENVWOMVIF-NRFANRHFSA-N 436.625 5.253 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC[C@@H]3CCCN(Cc4ccccc4)C3)cc2)cc1 609516476 XFXVQDALVJSUEB-DEOSSOPVSA-N 439.559 5.187 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCC(Oc4ccc(F)cc4F)CC3)c2)cc1 609642460 HMXZJEPYVGACLG-UHFFFAOYSA-N 448.469 5.099 30 20 IKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccccc1Cl 609690213 REJCNXFRFVYFFS-MGPUTAFESA-N 429.973 5.044 30 20 IKED CC(C)CC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1F 610223945 UTEMOPZZRUGZJE-UHFFFAOYSA-N 432.455 5.122 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CC[C@H]2c2cccc(F)c2)cc1Cl 610384028 ZONGNUSLKMPYLW-GGAORHGYSA-N 447.897 5.047 30 20 IKED N#C[C@@H](C(=O)c1sccc1Br)c1nc2cc(C(F)(F)F)ccc2s1 613404480 ODGJWATUOSSNCP-QMMMGPOBSA-N 431.258 5.629 30 20 IKED CCCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@H]1CCCc2cccnc21 614137358 DADRUBRAIUVFFT-QFIPXVFZSA-N 427.508 5.462 30 20 IKED N#CCCCn1cc(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c2ccccc21 618194624 KEHVFSVZSVBNEC-KBPBESRZSA-N 431.380 5.148 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C(=O)c4ccccc4)CC3)cc2)cc1 620544270 KOXFEFWDBDNLJP-UHFFFAOYSA-N 425.488 5.477 30 20 IKED CC(C)Cn1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(F)F)n1 622284749 OBMAVQAJEWXDHC-UHFFFAOYSA-N 429.311 5.767 30 20 IKED N#C[C@@H](C(=O)c1ccc2c(c1)NC(=O)CCS2)c1nc2cc(C(F)(F)F)ccc2s1 642282275 ZEYYJCHERLEHAH-LBPRGKRZSA-N 447.463 5.239 30 20 IKED O=C(Nc1cccc(Cl)c1OCC(F)F)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 672877815 GVYSUJUSNKSGMZ-YUMQZZPRSA-N 440.718 5.188 30 20 IKED C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674459164 HMDNJWHIVSLWQC-GGZOMVNGSA-N 447.301 5.489 30 20 IKED CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 678371821 KKGFFGVBXMQPAW-XQCUEUFKSA-N 444.391 5.110 30 20 IKED O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 681478109 UIUXFKPJUMAVHS-IUCAKERBSA-N 442.709 5.953 30 20 IKED O=C([C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 684566039 DEOIRYZGAMAVNN-MHDGFBEUSA-N 449.313 5.278 30 20 IKED COc1cccc(NC(=O)/C(=C\c2csc(-c3cccs3)n2)C(=O)c2ccccc2)c1 728440013 REMHOLHWDZQXHL-ZHZULCJRSA-N 446.553 5.785 30 20 IKED COc1ccc(/C=C\C(=O)c2sc(-c3ccccc3F)nc2C)cc1OCCCC#N 728442156 XIYVFIBPKXOJOV-LUAWRHEFSA-N 436.508 5.845 30 20 IKED CCOc1cc(/C=C2\Cc3c(ccc(Cl)c3Cl)C2=O)ccc1O[C@H](C)C(=O)N(C)C 729149753 FWUBTLHHTOEUBU-QQFZQELXSA-N 448.346 5.070 30 20 IKED N#C[C@H](C(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1ccc2ccccc2n1 730688083 ZCXVBTIMIDZZFA-UQBPGWFLSA-N 430.866 6.024 30 20 IKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730942487 QIOFCJBKLAXAKG-PGRDOPGGSA-N 444.560 5.112 30 20 IKED COc1cc(C2(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)CCCC2)ccc1C 731085241 UIYFSGJUPDKCBE-UHFFFAOYSA-N 444.531 5.110 30 20 IKED CC(C)c1ccc(-c2nc(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)cs2)cc1 731332347 JMQIUMBRKWUKMI-KRWDZBQOSA-N 435.618 6.509 30 20 IKED N#C[C@@H](NC(=O)c1ccccc1COc1cccc(C=O)c1)c1cccc(C(F)(F)F)c1 731644774 BJNKNBRFXAMUIA-JOCHJYFZSA-N 438.405 5.092 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H]3c3ccc(F)c(F)c3)c2)cc1 733033865 MDSMLJPAKVWJAY-RUZDIDTESA-N 447.485 5.979 30 20 IKED N#C[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)cc1F)c1ccc(Br)cc1 733253044 FCNLHRCGAYJMHA-HXUWFJFHSA-N 427.248 5.389 30 20 IKED C#CCN(C(=O)Nc1nc(C(C)C)cs1)[C@H]1CCOc2ccc(Br)cc21 733333001 UHKOQPVAYJQCDK-INIZCTEOSA-N 434.359 5.020 30 20 IKED N#C[C@@H](C(=O)C[C@@H]1OCCc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 734706541 LYVNXLIJKCIVND-UWJYYQICSA-N 443.355 5.997 30 20 IKED O=C(/C=C\c1cc2ccccc2nc1N1CCOCC1)c1ccc(SC(F)F)cc1 734979322 BYWRWCGRHXRYMK-YFHOEESVSA-N 426.488 5.282 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)/C=C\c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 735792516 LUUYWZBTMCNXHW-YVACAVLKSA-N 437.343 5.799 30 20 IKED COC(=O)[C@H](N[C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C)c1ccc(C#N)cc1 739994986 OLFCIADBOMIUBW-BFUOFWGJSA-N 425.941 5.209 30 20 IKED CC(=O)Nc1ccc(/C=C2\C(=O)/C(=C/c3ccc(NC(C)=O)cc3)CC[C@@H]2C2CC2)cc1 740666271 PDJGAMVUIDPEHA-BGKPLXPRSA-N 428.532 5.460 30 20 IKED COc1ccc2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c(C)c2c1 744031427 XCAGVXSRLOYDJO-AWEZNQCLSA-N 433.316 5.486 30 20 IKED Cc1cc(C(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)sc1-c1cccc(Cl)c1 744920661 LTGKXIIBONSIII-UHFFFAOYSA-N 435.892 5.656 30 20 IKED N#Cc1ccccc1N1CCC(NC(=O)COc2ccc(-c3ccccc3)cc2Cl)CC1 747337864 WJHNTZABGCFCEU-UHFFFAOYSA-N 445.950 5.043 30 20 IKED Cc1noc([C@@H](OC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c2ccccc2)n1 750870473 PEPXAZQWORGDOT-QHCPKHFHSA-N 425.444 5.183 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@@H]1c1cnc(-c2cccs2)s1 751558436 VHXRAPRBEJMCTB-QGZVFWFLSA-N 431.995 5.044 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Cc3ccc(OCc4ccccn4)cc3)c2)s1 751989464 GWACVPIPGKGJPM-UHFFFAOYSA-N 439.540 5.120 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCCCSc3nccs3)cc2F)c1 758603126 NCYYXTGFARJFEM-UHFFFAOYSA-N 442.541 5.037 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1CC(=O)O[C@@H](C)c1ccc(F)c(C(F)(F)F)c1 764327359 VBTACUZYJUYUEQ-NSHDSACASA-N 426.332 5.067 30 20 IKED N#CCCN(Cc1cccnc1)Cn1nc(Cc2ccccc2)n(C2CCCCC2)c1=S 764857762 OSOIFZDLVJYIHH-UHFFFAOYSA-N 446.624 5.278 30 20 IKED C[C@@H](Cc1ccc(Br)cc1)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 765935246 ITMZOHPFVXJPDR-GUYCJALGSA-N 426.339 5.023 30 20 IKED CC(C)c1nn(-c2ccc(Br)cc2)cc1/C=C1\CCc2nc(O)ccc2C1=O 769614165 IISRLGYGZFUBNX-SDNWHVSQSA-N 438.325 5.071 30 20 IKED CC[C@H]1Cc2c(Br)cccc2CN1C(=O)Nc1ccccc1O[C@@H](C)C#N 770653339 NGGIBAYHYFGUSB-HOCLYGCPSA-N 428.330 5.109 30 20 IKED O=S(=O)(Nc1ccccc1)c1ccc(NN=Cc2ccc(F)cc2C(F)(F)F)cc1 771884727 PSHVDOAPDOIPFM-UHFFFAOYSA-N 437.418 5.091 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H]2CCc3c(F)cc(Br)cc32)ccc1OC 772980455 ORJDBCBULMZIJU-KXBFYZLASA-N 433.321 5.055 30 20 IKED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(OC(=O)c1cn(CCCC#N)c3ccccc13)C2 774062120 FHVBEWRWKVSQBG-ROUUACIJSA-N 437.540 5.032 30 20 IKED N#CCCN(C(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1)C12CC3CC(CC(C3)C1)C2 776908751 HRJQWMFJVZTNSL-UHFFFAOYSA-N 449.473 5.122 30 20 IKED COc1ccc([C@@H](NC(=O)Cc2ccccc2CC#N)c2ccc(C(F)(F)F)cc2)cc1 779059946 IVPMIOCZZAPRED-DEOSSOPVSA-N 438.449 5.228 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)ccc1OC 779102661 WEFZMNLYJMYQTH-RDGATRHJSA-N 438.930 6.048 30 20 IKED CCOC(=O)Nc1ccc(NCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cc1C#N 779165873 RLBDVHUPXRXJMO-UHFFFAOYSA-N 443.429 5.002 30 20 IKED COc1ccc(OCc2nc(/C=C\C(=O)c3cc(Br)cs3)cs2)cc1 782370107 SRQBDTHELCHKEH-UQCOIBPSSA-N 436.352 5.451 30 20 IKED O=C1/C(=C\c2cnc(-c3ccco3)s2)CSC/C1=C/c1cnc(-c2ccco2)s1 788099668 SLULADZYHFICCK-PVRNWPCDSA-N 438.555 5.903 30 20 IKED Cc1nc(NC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)sc1SCC#N 793324456 ALDWEJSIHQSIJP-UHFFFAOYSA-N 444.582 5.007 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(SC(F)(F)F)cc1 795247758 YCZIVDAUIZNSJD-CYBMUJFWSA-N 426.485 5.710 30 20 IKED CC(C)(C)OC(=O)NC[C@@H](C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)c1ccc(F)cc1 797569890 ZALBJERZWFIMRC-DLBZAZTESA-N 445.560 5.064 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccccc2)cn1 799552386 SWVLVZUHTWKQMG-KRWDZBQOSA-N 447.516 5.064 30 20 IKED C/C(C=Nn1cnc2ccc(Br)cc2c1=O)=C\c1ccccc1C(F)(F)F 799874649 UVPAELNBGLEORN-SBQRZNGNSA-N 436.231 5.115 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1cccc(Cl)c1Cl)[n+]1ccc2c(c1)CCCC2 802708160 FAMOPPCIAACXCA-UHFFFAOYSA-O 434.412 5.537 30 20 IKED N#Cc1sc(Sc2nnc(Cc3cccs3)n2CCc2ccccc2)nc1Cl 804338195 IRMMBVWFRHKEFJ-UHFFFAOYSA-N 444.010 5.306 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CC(C)(C)CCC#N)cc1 807936086 XHGRMLJQAVMNGU-NRFANRHFSA-N 448.592 5.285 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)ccc21 813217688 IWECVJDQKRELOB-QGZVFWFLSA-N 445.441 5.278 30 20 IKED C[C@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccc(NC(=O)c2ccccc2)cc1 815929058 ZFTCECJXLPXHHK-AWEZNQCLSA-N 439.393 5.142 30 20 IKED COc1cc(C=NOCC(=O)c2cc(C)n(Cc3cccs3)c2C)cc(Cl)c1OC 823687201 QLOCWRSSLSFNGM-UHFFFAOYSA-N 446.956 5.119 30 20 IKED C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccccc2Br)no1 904961761 DSGQODGGGXMLBT-ZDUSSCGKSA-N 428.714 5.208 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(OCc3ccccn3)c2)cc1 915358717 AOGRUAVYKDCAPV-HHHXNRCGSA-N 448.526 5.638 30 20 IKED Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc(OCc3ccccc3C#N)cc2)c(C)c1 915513764 KMEBRLAJWJBATR-HXUWFJFHSA-N 442.515 5.247 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1 916949053 LDIMRFWDGNZRNF-IIBYNOLFSA-N 449.938 5.789 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(NC(=O)c3ccco3)c2)cc1 916949573 PFQRBVIZFRUNIH-IERDGZPVSA-N 429.476 5.007 30 20 IKED N#C[C@H](C(=O)/C(=C\c1ccc(F)cc1)c1cccs1)c1nc2ccccc2n1C(F)F 917039845 FOHSFVBTWNLVKA-TXQCQQFXSA-N 437.446 6.049 30 20 IKED C#CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(C(C)C)c1 917713662 NMCRLNQWUSQTLP-QFIPXVFZSA-N 433.577 5.020 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)cc1 917797428 AWSOGGAUBPFCHD-UHFFFAOYSA-N 437.499 5.079 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 920104718 XONCKNRZRIPQHG-GOSISDBHSA-N 431.492 5.177 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](Oc3ccccc3)c3ccccc3)n2)cc1 920139249 PPGAKSJUABGZDR-DHLKQENFSA-N 440.524 5.815 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCc3ccc(Cl)c(Cl)c3)n2)cc1 920142531 QGEBZAKVYZEDHS-QGZVFWFLSA-N 440.355 6.188 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@]4(F)CCCC=C4F)CCC3)cc2)c1 1790258039 AGASCVHPJXOJLQ-RUZDIDTESA-N 435.474 5.052 30 20 IKED N#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCCCCc1ccccc1)C2 1795860064 GBAVMLIULMCORF-QEIWAGNOSA-N 437.628 5.292 30 20 IKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(Cl)cc1C 1800788142 NSGQMBVCTGNWOI-BCDXTJNWSA-N 435.395 5.322 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCSCc1ccc(C)cc1 1802131114 NDOLLKVJWWBGNX-KIHHCIJBSA-N 440.653 5.025 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ccn(C)c23)[nH]n1 1814443139 NOOBPRXOEHEVIS-OAQYLSRUSA-N 447.583 5.200 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nc(C(C)C)cs2)[nH]n1 1819303733 NQSAMWGOPDWISF-QFBILLFUSA-N 441.601 5.064 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(OC)c2C)n[nH]1 1823111861 WZSPUIZIMJTTDE-HXUWFJFHSA-N 438.572 5.025 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)CC2)C1 1823700818 ZMORTXITXXRNJX-BPUWIUIQSA-N 426.645 5.179 30 20 IKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831061631 IMEBNEXKBKKPBV-QHCPKHFHSA-N 443.547 5.123 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C)c2Cl)CC1 1832031610 RRKACSKVTZDCTF-QFIPXVFZSA-N 429.004 5.075 30 20 IKED O=C(/C(=C(/S)Nc1ccccc1C(F)(F)F)[n+]1ccccc1)c1ccc(F)c(F)c1 11157083 NCMPLFKSKMATRK-UHFFFAOYSA-O 437.413 5.322 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2cccc(CO)c2)c(C)c1 20887913 OLJTXUCEYDHWDX-UHFFFAOYSA-O 447.624 5.432 30 20 IKED Cc1nc(SCC(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c(C#N)c(C)c1C 24367540 QGAPSDYKKPCANP-UHFFFAOYSA-N 445.548 5.253 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H]2CCSc3c(F)cccc32)cc1OC 30910192 UTQAMCZLQOGHSH-QGZVFWFLSA-N 438.362 5.488 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 46542707 FWVDYHYZDOCWQR-UHFFFAOYSA-N 432.368 5.023 30 20 IKED COc1ccc(CN[C@@H](c2ccc3c(c2)CCCC3)c2cccs2)cc1OCCCC#N 64613765 FCCYLVJFXKEXKH-MHZLTWQESA-N 446.616 6.197 30 20 IKED C=CCn1c(SCc2noc(C3CC3)n2)nc2sc(-c3ccccc3)c(C)c2c1=O 64653089 WOJZUXYPIGYFEL-UHFFFAOYSA-N 436.562 5.172 30 20 IKED CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 71978123 JFIZOZLNXJRRKP-UHFFFAOYSA-N 443.572 5.880 30 20 IKED COCCCCN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 72041238 NVNLZYNMLQDHFB-UHFFFAOYSA-N 429.520 5.811 30 20 IKED N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCO[C@@H](c2ccc(Br)cc2)C1 195670030 JEDZLRZNWLCWAC-QGZVFWFLSA-N 446.707 5.239 30 20 IKED CS(=O)(=O)c1cccc([C@H](Nc2ccc3cc(C#N)ccc3n2)c2ccc(Cl)cc2)c1 301986030 UIAQBXSJOSFCFN-XMMPIXPASA-N 447.947 5.365 30 20 IKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)[C@H](C)C(=O)Nc1ccccc1C#N 302598299 VVJRSMBZMLXPHK-GOSISDBHSA-N 449.576 5.056 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2OCc2cccs2)cc1 409864880 CPWULKCXYAPAKB-UHFFFAOYSA-N 432.545 5.394 30 20 IKED COC(=O)c1c(F)ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1C 426708480 KEABVOYGOUCGGY-UHFFFAOYSA-N 434.492 5.337 30 20 IKED CC(C)c1nc(C2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)no1 433133835 IZBVECYCWDKBQY-UHFFFAOYSA-N 431.496 5.268 30 20 IKED N#Cc1ccsc1N1CC[C@H](Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)C1=O 433720197 CDSBNVGKQSYCSJ-KRWDZBQOSA-N 445.331 5.331 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCOC[C@H]2c2ccccc2)cc1Cl 437774867 MZGJAERZUUIXHM-VWNXMTODSA-N 431.923 5.601 30 20 IKED C[C@H](c1ccccn1)N(C)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 438515103 GWGNFTCQPZXOGR-OAHLLOKOSA-N 440.425 5.989 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC(Cc3ccc(F)c(F)c3)C2)cc1 438623128 CLWMNKOEOXZFDC-UHFFFAOYSA-N 447.485 5.316 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)NCC1(Sc2ccccc2)CCCC1 439583967 AHCQYFWONRAWFM-FQEVSTJZSA-N 437.609 5.025 30 20 IKED O=C(c1cc(F)c(F)c(F)c1F)N(CC(F)(F)F)c1ccc(Br)cc1 443895207 FDEIJCAZNZPPLY-UHFFFAOYSA-N 430.117 5.215 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 444001249 HPXSSYBHTQUJRD-AWEZNQCLSA-N 446.450 6.492 30 20 IKED CN(Cc1ccccc1F)C(=O)CN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444742911 JYTFDOAAAPHNQD-KRWDZBQOSA-N 436.371 5.086 30 20 IKED N#Cc1c(NC(=O)c2cnn(-c3ccncc3)c2C(F)F)sc2c1CCCCCC2 447390635 GZRXDDRFDISNAH-UHFFFAOYSA-N 427.480 5.049 30 20 IKED CCc1ccc(Cl)c(CC)c1NC(=O)CCCN1CCC[C@@]2(CCCCO2)[C@@H]1C#N 447925213 YFPSJAROYRXCHF-URXFXBBRSA-N 432.008 5.111 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3ccc(Br)cc3C(F)(F)F)on2)c1 448196228 IVFNDECGGFEZRJ-UHFFFAOYSA-N 436.187 5.247 30 20 IKED Cn1ccnc1CC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 448403076 WGBLAUUAEBWRFA-UHFFFAOYSA-N 449.942 5.224 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)c1ccccc1[N+](=O)[O-] 463033086 AZVIIXGDUFURGA-CQSZACIVSA-N 430.917 5.458 30 20 IKED N#Cc1cc(NC(=O)c2cc(=O)c3ccccc3[nH]2)ccc1Oc1ccc(C(F)(F)F)cc1 464300423 ZQXMFMWWAUJJJZ-UHFFFAOYSA-N 449.388 5.463 30 20 IKED N#Cc1c(NC(=O)c2cc(COc3ccccc3F)on2)sc2c1CCCCCC2 464442632 RKXGTLHFOIPHRH-UHFFFAOYSA-N 425.485 5.237 30 20 IKED CC[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1nc(C(F)(F)F)cs1 465187020 PVBMSQQSYSWRAP-HNNXBMFYSA-N 432.427 5.102 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccccc1COCc1ccccc1 465528278 OPRBAEDMSZHGQS-KAYWLYCHSA-N 439.559 5.385 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cncc(-c4ccc(Cl)cc4)c3)n2)cc1 467073626 RMBSKVQCCJEVGD-NRFANRHFSA-N 445.931 6.024 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1nnc(-c2ccccc2)s1 467316611 MUKLJYHDSXDYGM-HNNXBMFYSA-N 440.619 5.471 30 20 IKED C=CC[C@H]1N(C(=O)CCc2nc(-c3cc(Br)cs3)no2)CCCC1(C)C 470309137 RBMXSAFERCXXLV-OAHLLOKOSA-N 438.391 5.087 30 20 IKED CCCN(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[C@H](CC)c1ccccc1 470550047 TZBHXJCNBFWHOH-HSZRJFAPSA-N 432.568 5.665 30 20 IKED Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 472840254 UPXIDPWDYJLCBR-SFHVURJKSA-N 426.476 5.097 30 20 IKED COc1cc(C#N)cc(Cl)c1OCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 475876478 MFSJCPGIUXYXGS-QGZVFWFLSA-N 439.726 5.270 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 476170232 VDJXQKWRGUSRGG-RUZDIDTESA-N 426.560 6.038 30 20 IKED C[C@H](NC(=O)c1ccccc1Oc1ccccc1C#N)c1nc(-c2ccncc2)cs1 477713706 VGCLNIBXYJAHDZ-INIZCTEOSA-N 426.501 5.360 30 20 IKED Cc1cc(-c2ncccc2NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cs1 482482910 QVEQRODNLPWAJC-UHFFFAOYSA-N 436.512 5.205 30 20 IKED N#C[C@@H](C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2)c1cnc2ccccc2n1 483199636 PIKFRGUZNLTXIN-OAHLLOKOSA-N 448.313 5.101 30 20 IKED CC1(C)CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC[C@H]1C(F)(F)F 484193818 VGOCBMLSTZIIMS-OAQYLSRUSA-N 445.485 5.774 30 20 IKED CO[C@H](C)c1nc(C)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1 486755245 OSZJFTSPRYJWFF-RDTXWAMCSA-N 425.941 5.720 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1 487844290 QXFDDEUUUQYOFQ-IRXDYDNUSA-N 426.360 5.272 30 20 IKED N#CCC[C@@H](NC(=O)c1coc(-c2ccc(Br)cc2F)n1)c1ccccc1 489676301 FWCUBHHDTZISJJ-QGZVFWFLSA-N 428.261 5.018 30 20 IKED CN(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c1 490492381 PMUMDCAVPULYEH-UHFFFAOYSA-N 434.883 5.350 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccccc1COCc1ccccc1 500837837 GBXGTQBJMFAXQU-UHFFFAOYSA-N 440.996 6.016 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)CCc1ncc(-c2ccccc2Cl)o1 501019182 IEMFFXWXCNVVTR-UHFFFAOYSA-N 431.879 5.626 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2ccccc2OC)cc1 506685059 BQWDJVKZWRKSTN-XMMPIXPASA-N 429.520 5.416 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)cc1 508161379 UBUACLXVFXXCTQ-UHFFFAOYSA-N 444.535 5.290 30 20 IKED COc1cc(NC(=O)CSc2nc(-c3ccccc3)ccc2C#N)c(OC)cc1Cl 510193627 ZBKLLCHBMYQKPT-UHFFFAOYSA-N 439.924 5.022 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1 510537144 GUCOXLFAAAPAOH-MRXNPFEDSA-N 431.458 5.402 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC(Oc4ccccc4Cl)CC3)o2)cc1 513885670 VQGHYBORZVJHDI-UHFFFAOYSA-N 436.895 5.067 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H](c2ccccc2)c2ccco2)cc1 514024018 FRXJMEUPMHETQT-SANMLTNESA-N 439.490 5.792 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Sc4ccccn4)cc3)n2)cc1 517278000 RVXQYJDJSPLMGT-HXUWFJFHSA-N 438.537 5.718 30 20 IKED COc1ccc(CNc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)cc1OCCCC#N 517401021 CQHDNKJOZSDMPH-HXUWFJFHSA-N 435.568 5.313 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 518169935 WAWRVSHVGAZFMX-QGZVFWFLSA-N 443.016 5.378 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccccc3OCc3ccncc3)c2)cc1 518256747 IWWIQOPUMPHPNX-UHFFFAOYSA-N 449.510 5.558 30 20 IKED Cc1ccc(-n2nc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c3c2CCCC3)cc1 518670700 GYNMRPUEJLVZOZ-GOSISDBHSA-N 445.473 5.294 30 20 IKED COc1ccc([C@H](NC(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccc(F)cc2)cc1 519449101 VEVITCIIPIGTAO-MZNJEOGPSA-N 449.551 5.997 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)cc2)cc1 519992056 HTZXTSANKVFOFW-UHFFFAOYSA-N 445.425 5.855 30 20 IKED Cc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1C(=O)NC(C)C 521774418 KRJSEIXIRNVFNK-UHFFFAOYSA-N 443.572 5.550 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 521810812 FRTAFEDXFVKRBH-WMZHIEFXSA-N 427.573 6.260 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1ccc(OC(F)F)cc1 522962581 KKYIOLWWRGJPMZ-HUUCEWRRSA-N 436.549 5.973 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](c3cccc(Cl)c3)C3CCCCC3)CC2)o1 530288012 SXPUIRHDUPQTJT-QFIPXVFZSA-N 440.975 5.162 30 20 IKED CN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 540669777 PYXHVUHNVPMFLM-WOJBJXKFSA-N 426.442 5.395 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)N(C1CC1)[C@H](C)c1cccc(C(F)(F)F)c1 541490799 MUOLQUZKBCLENQ-OAHLLOKOSA-N 447.457 5.360 30 20 IKED CC[C@H](C)n1ncc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C1CC1 542030081 JOAXAYDTDMVHNW-ZWKOTPCHSA-N 427.552 6.153 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(CNc3ccncn3)c2)cc1F 542659839 OQLSZJPHOMTNNE-UHFFFAOYSA-N 439.450 5.144 30 20 IKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)cc1F 542897689 JZCMMODSZJFGQF-VBKZILBWSA-N 447.963 5.325 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cnc3c(F)ccc(F)c3c2)cc1 549526351 FKLRHSZFFDQZES-UHFFFAOYSA-N 429.426 5.410 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3cc(-c4cccs4)nc4c3cnn4C(C)C)[nH]c12 554276316 OVQSNNZWECYMKB-INIZCTEOSA-N 440.532 5.416 30 20 IKED N#CCCC[C@@H](NC(=O)C(=O)Nc1ccnc(Oc2ccccc2Cl)c1)c1ccccc1 556624252 AXJDENKBFRGGQR-HXUWFJFHSA-N 448.910 5.017 30 20 IKED N#Cc1ccc(NC(=O)N2CCC3(CCN(Cc4ccccc4)C3)CC2)cc1C(F)(F)F 556639506 LVHJVKYLQGEJNQ-UHFFFAOYSA-N 442.485 5.097 30 20 IKED CC[C@@H](NC(=O)c1ccccc1)c1noc(-c2cccc(OCc3ccccc3C#N)c2)n1 557517228 IOTPIALBUXIYCF-HSZRJFAPSA-N 438.487 5.068 30 20 IKED C=CCC[C@@H](Nc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1)c1ccco1 560553562 GIMIYFFGTGEYDK-LAUBAEHRSA-N 426.948 6.065 30 20 IKED Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)s1 561038064 DKOXQZYDXXJGPA-HNNXBMFYSA-N 433.537 5.109 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 561237698 IHCFVOBYDDRVNS-LEWJYISDSA-N 434.609 5.728 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1sc(COc2ccc(F)cc2)nc1C 561239713 BDQDIQDTHAXNMM-UHFFFAOYSA-N 442.560 5.166 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCN(c2ccccc2F)C1 562246786 ZKQNFNLJLFDOSP-AWEZNQCLSA-N 437.462 5.315 30 20 IKED C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 564143060 JZPIOGIBSRINDC-PBHICJAKSA-N 427.898 5.008 30 20 IKED N#Cc1cc(NC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)nc2ccccc12 564188148 FIOUDHTUFLANJN-UHFFFAOYSA-N 444.541 5.151 30 20 IKED Cc1c(C(=O)Nc2ccc(NC(=O)CCN3CCCCC3)cc2)sc2ccc(C#N)cc12 568786381 ZTJZIAGVPWUDLP-UHFFFAOYSA-N 446.576 5.148 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 578176343 CAYCFWHDGBRAJG-ONSXPEOJSA-N 449.407 5.373 30 20 IKED Cc1nc([C@@H](NC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccc(Cl)cc2)no1 579991894 JPDIGVIQSSGWOJ-DJJJIMSYSA-N 441.944 5.337 30 20 IKED Cc1cc(N(CCC#N)C(=O)CNc2ccc(Oc3ccnc(C#N)c3)cc2)ccc1Cl 582273653 BFHMJDJVOFGGHV-UHFFFAOYSA-N 445.910 5.066 30 20 IKED CCOc1ccccc1NC(=O)[C@H](Sc1nc2c(cc1C#N)CCCC2)c1ccccc1 585688347 MPMDFRPWLHCORQ-XMMPIXPASA-N 443.572 5.703 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2csc(-c3ncccn3)n2)cc1Cl 603962231 NMQIVRCXIMWLIJ-KRWDZBQOSA-N 431.908 5.161 30 20 IKED O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)N1CCC(C(F)(F)F)(C(F)(F)F)C1 605053469 MEGIFPLBPBIICJ-CYBMUJFWSA-N 446.338 5.192 30 20 IKED Cc1nn(-c2ccccc2)cc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 608804897 HMPZOIYXKLNUFO-QFIPXVFZSA-N 426.907 5.742 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N(Cc2ccc(O)cc2)Cc2ccco2)c1 609030698 VRKJDZJGCVRVIY-UHFFFAOYSA-N 438.483 5.278 30 20 IKED Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c2c(C)noc2n1 609062822 HDZUOMBKKRYQPS-UHFFFAOYSA-N 432.867 5.196 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 609376932 LGASISDOSFCJDL-LJQANCHMSA-N 438.556 6.043 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H](c2cc3ccccc3[nH]2)C1 609385138 SVBKFBAJVHBTHG-ICSRJNTNSA-N 432.593 5.380 30 20 IKED C=CCN(C(=O)[C@H](C)CSc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 609496508 FKMLAITXGBFJBL-MRXNPFEDSA-N 439.562 5.666 30 20 IKED Cc1nc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)sc1Cc1ccc(F)cc1 609501349 HTPLEXQQPRGKGM-UHFFFAOYSA-N 444.491 5.493 30 20 IKED CN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 609659190 XNTZJXUWZBNDTC-UHFFFAOYSA-N 425.532 5.010 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCSC[C@H]2c2ccccc2)cc1 609682155 OFVCQNQMOKGGOD-QFIPXVFZSA-N 445.544 5.681 30 20 IKED C[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1ccc(C#N)cc1 609931366 KMTDJCZEARVPII-NSHDSACASA-N 431.336 5.401 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N[C@H](c3ccc(Cl)cc3)C(F)(F)F)o2)cc1 610155712 MBAFBBGWWCBZDT-LJQANCHMSA-N 434.801 5.417 30 20 IKED N#Cc1cccc(-c2nnc(CSc3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)o2)c1 610219360 LTOBDRGTZKECMV-UHFFFAOYSA-N 435.512 5.958 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC(OCC3CCCCC3)CC2)cc1 610237073 ZLHVMFRZVURUHG-UHFFFAOYSA-N 436.527 5.691 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Cl)c3ncccc23)cc1C 610701776 SUBCADRWSQPNPU-UHFFFAOYSA-N 429.911 5.535 30 20 IKED COc1ccc(-n2c(SCc3ccnc(C#N)c3)nnc2-c2ccccc2)cc1Cl 610957168 ZFEXUKIDWYERLI-UHFFFAOYSA-N 433.924 5.155 30 20 IKED CN(Cc1c(F)cccc1Cl)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 612804226 GALRQNHFRHMZMN-UWVGGRQHSA-N 434.783 5.530 30 20 IKED CN(Cc1ccccc1NCc1ccc(C(C)(C)C#N)cc1)C(=O)c1cc2ccccc2o1 614058744 UYPLWXIERRRHES-UHFFFAOYSA-N 437.543 6.118 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 615844255 PWZAPSFHSLIQAA-SFHVURJKSA-N 449.501 5.676 30 20 IKED C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 619754897 OCRWVKDFDVYLAI-QGZVFWFLSA-N 446.016 5.064 30 20 IKED N#Cc1ccc(-c2nnc(N3CCS[C@@H](c4ccccc4)C3)n2Cc2cccs2)cc1 619853956 LRGINOVHTKGNBP-JOCHJYFZSA-N 443.601 5.221 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2cccc(C)c2C)C(C)C)nc2sccc2c1=O 639394736 PUDLPSSNUXTGGK-GOSISDBHSA-N 427.595 5.016 30 20 IKED O=C(Nc1ncc(Cc2ccc(F)cc2)s1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674419493 UNTXERFHOZUSRE-STQMWFEESA-N 441.372 5.078 30 20 IKED COc1ccc2nc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)ccc2c1 678325537 YNSWVYJYHPTIJE-CQSZACIVSA-N 427.407 5.362 30 20 IKED O=C(NCCCCCc1ccc(F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 681665345 YGZDDWBBDZYJOC-HUUCEWRRSA-N 428.392 5.311 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1csc(-c2ccccn2)n1 727995753 CMYXUEDOLJZHPY-UHFFFAOYSA-N 426.501 5.217 30 20 IKED Cn1c(Cl)nc(Cl)c1/C=C/C(=O)c1ccc(Br)cc1Br 728437411 BTPHSKPLTUUQBJ-SNAWJCMRSA-N 438.934 5.148 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)cc1 728766984 RBNXBWKCJCMLBE-XMMPIXPASA-N 445.563 5.208 30 20 IKED N#C[C@H](C(=O)c1sccc1SC(F)F)c1nc(-c2c(F)cccc2F)cs1 730694556 MGTFMKFDQMVBOJ-MRVPVSSYSA-N 428.457 5.955 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cc1ccc(Cl)c(Cl)c1 731063279 PUYWUZZYNOMDHA-ZDUSSCGKSA-N 437.348 5.112 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C(C)(C)c1ccccc1Cl 731076790 BAEDKXWNZOEXHE-HNNXBMFYSA-N 430.957 5.194 30 20 IKED CC(C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccc(COc2ccc(C#N)cc2)c1 734584561 HRIKCHAKVVCGMP-LJQANCHMSA-N 442.515 5.445 30 20 IKED CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1cc(Cl)ccc1OCC#N 735320312 QOZWFRKHXVAYCI-UHFFFAOYSA-N 443.783 5.441 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1cc(-c2ccccc2)on1 735999953 LNZAIJKIOUOONR-UHFFFAOYSA-N 425.463 5.437 30 20 IKED Cc1oc(-c2ccccc2F)nc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 739155519 IJHDJYNBCAGEEY-ZDUSSCGKSA-N 445.397 5.908 30 20 IKED COc1cc(CN(C)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)ccc1SC 740058821 CVQMPOHVAVEBBS-UHFFFAOYSA-N 437.590 5.359 30 20 IKED COc1ccccc1-c1ccc(CN(C(=O)Cc2ccc(OCC#N)cc2)C(C)C)cc1 741638655 CQRSWGNUJMFVGG-UHFFFAOYSA-N 428.532 5.244 30 20 IKED C[C@H](SCc1cc(Cl)ccc1OCC#N)c1nc(Cc2ccc(Cl)cc2)no1 742971188 NUOKECDYBGCFJZ-ZDUSSCGKSA-N 434.348 5.864 30 20 IKED Cc1ccccc1COc1c(C)cc(C=Nn2c(S)nnc2[C@@H]2CCCCO2)cc1C 743451589 IYEWHOVFJVGQKN-NRFANRHFSA-N 436.581 5.195 30 20 IKED CC(C)n1cc(Br)cc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 744030263 BXLFROSZFOHJSJ-GFCCVEGCSA-N 443.128 5.099 30 20 IKED Cc1sc2ncn(N=Cc3cc(C)n(-c4nccs4)c3C)c(=O)c2c1-c1ccccc1 744685710 WPIDGUZIUFCKBO-UHFFFAOYSA-N 445.573 5.180 30 20 IKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2cc(Br)ccc2F)cc1 744807254 RVAJLTHMNNKBMI-UHFFFAOYSA-N 449.349 5.053 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3C[C@@H](O)c3ccc(F)cc3)cc2)cc1 746256820 UUAUKHGVDGTHPI-ZEQKJWHPSA-N 444.506 5.412 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cn1nc(-c2ccccc2F)n(C2CC2)c1=S 751934527 RKXVHSRYXMDGGC-IRLDBZIGSA-N 433.556 5.284 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNCc2c(C(C)C)nn(Cc3ccccc3)c2Cl)c1 754828952 IVXWEIVSQQOKPU-NRFANRHFSA-N 436.987 5.679 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 755750212 HRAADNARACKURM-NTZNESFSSA-N 441.475 5.041 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1 755757500 WGWDIFBDKGGAHQ-GVAUOCQISA-N 429.495 5.523 30 20 IKED C=C[C@@H](CC(=O)OCc1csc(N(C(C)=O)c2ccccc2OC)n1)c1ccccc1 758921483 RXTKNLDXEHIFBG-SFHVURJKSA-N 436.533 5.239 30 20 IKED CC[C@H](C#N)Oc1cc(CNCc2cn(-c3ccc(C)cc3)nc2C(C)(C)C)ccc1OC 759281210 HVWSCJKLDOSKOT-HSZRJFAPSA-N 446.595 5.458 30 20 IKED CC(=O)N(c1nc(C=NNc2c(Cl)cccc2Cl)cs1)c1ccc(F)cc1F 763188768 XIAVCMXMUAWHMG-UHFFFAOYSA-N 441.290 5.859 30 20 IKED CC(C)c1nn(-c2ccc(Br)cc2)cc1C=NNc1nncc2ccccc12 763346303 PAUJESCWUPNQDT-UHFFFAOYSA-N 435.329 5.147 30 20 IKED Cc1nc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc2s1 763933881 XEYZCMPYGQCFHG-SFHVURJKSA-N 427.485 5.358 30 20 IKED C[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)c1ccc(Br)cc1 770420374 WEZNREULFYRNDF-DYVFJYSZSA-N 426.339 5.338 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H]2CCc3c(F)cc(Br)cc32)ccc1OC 772980448 ORJDBCBULMZIJU-DNVCBOLYSA-N 433.321 5.055 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3ccccc3NC(=O)c3ccsc3)cc2)ccn1 773474282 XIYGJCLOJKICJQ-UHFFFAOYSA-N 440.484 5.312 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cn(CCCC#N)c3ccccc23)cc1 774050633 GHCBHUWFNKTCQB-PGRDOPGGSA-N 426.520 5.420 30 20 IKED O=C(NOCc1ccc(C(F)(F)F)cc1)N[C@H](c1cccc(F)c1F)C(F)(F)F 776018133 AGNFGRBGAYTWEM-CQSZACIVSA-N 428.279 5.018 30 20 IKED C[C@H](N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccc(OCC#N)cc1 776153914 JGWPMJGOQKCYCB-RBUKOAKNSA-N 431.511 5.321 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)c1nc(-c2ccccc2)cs1 780311382 AZRDTOROBQAMNF-QZTJIDSGSA-N 444.585 5.513 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)c4cccnc34)n2)cc1 780326707 BJFBVZKMRBHUIM-KRWDZBQOSA-N 449.919 5.276 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN(C)[C@H]2CCCc3cc(OC)ccc32)c1=S 782895332 OBHPEQHHHNXZII-QFIPXVFZSA-N 435.597 5.028 30 20 IKED C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 783075675 DKAZZJJRUGZYSN-HZMBPMFUSA-N 445.224 5.127 30 20 IKED COc1ccc2nc(C=Nn3c(S)nnc3-c3ccc(Cl)cc3Cl)sc2c1 788700280 KVTBDPPAOJNOLW-UHFFFAOYSA-N 436.349 5.041 30 20 IKED COc1c(C)cc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1Cl 794725432 XKVSEFIUZUGKGP-RMKNXTFCSA-N 444.915 5.833 30 20 IKED N#CC[C@@H](CC(=O)O[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccccc1 796532583 OVKXFFBAUZTBLZ-LAUBAEHRSA-N 428.319 5.562 30 20 IKED COCCOC1CCC(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)CC1 796651130 PNEDPYOVLUVCSO-XRRZOUMQSA-N 442.625 5.009 30 20 IKED FC(F)(F)c1cc([C@H](NCc2cnc(Cl)cn2)C(F)(F)F)cc(C(F)(F)F)c1 799163739 UTRPHDPDLFJMFD-LBPRGKRZSA-N 437.693 5.561 30 20 IKED COCCc1nc(C)c(C(C)=NNc2c(Br)cccc2Br)s1 800818777 OJNIQRCBHRRMOQ-UHFFFAOYSA-N 447.196 5.002 30 20 IKED CN(CCC#N)c1ccc(CN[C@@H](c2ccc(Cl)cc2)C2C[C@@H]3CC[C@H](C2)N3C)cc1 801739476 QCGPZHMUNSOVSQ-AVAUZIEYSA-N 437.031 5.394 30 20 IKED Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)[C@H](C#N)c2nc3ccccc3s2)cs1 810521548 PVXGYAUIXVRIAV-INIZCTEOSA-N 435.549 6.021 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)c3csc(COc4ccc(F)cc4)n3)c2C#N)C1 822515305 UYUHLOMNEGUIPA-LBPRGKRZSA-N 427.526 5.171 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@@H]1c1noc(-c2cccc(COc3ccccc3C#N)c2)n1 904700577 DLUIEQGAQGECCY-HXUWFJFHSA-N 446.507 5.259 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 915351789 GJGOWJWFPFWMIU-GOTSBHOMSA-N 430.577 5.362 30 20 IKED COc1cc(/C=C(\C(=O)c2nc3ccccc3s2)c2ccccc2)ccc1OCC#N 916133815 NTDGXCKIOSRNRL-CYVLTUHYSA-N 426.497 5.631 30 20 IKED N#CCOc1cccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1 916409435 BCXKNLFXLSNMBQ-UHFFFAOYSA-N 442.906 5.276 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1ccc(F)cc1F)c1nc2cc(C(F)(F)F)ccc2s1 917043508 KWLAWCYJUMLFNY-CYBMUJFWSA-N 438.377 5.433 30 20 IKED COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1F 917559741 NFACTJZTXRQYOO-TWGQIWQCSA-N 430.888 5.525 30 20 IKED CCCOc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1 917560100 QTBRKMPYDFUJFG-MDWZMJQESA-N 440.952 6.166 30 20 IKED C[C@H](NC(=O)c1ccccc1SCC#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 918678077 XQPCRDWTXPLNFL-INIZCTEOSA-N 433.508 5.185 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@H](C)c2ccc(C)s2)c(C)c1 920173522 PRQQQZOZXLGAMO-UZLBHIALSA-N 441.622 5.035 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)CCN2c3ccccc3Sc3ccccc32)n1 920327628 XSEXTMMCNTXWCB-OAHLLOKOSA-N 449.557 5.189 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CCc3cccc(C)n3)cc2)CCC1 1786733521 CCHDBHZELMUJCA-UHFFFAOYSA-N 431.580 5.225 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cccc4cc(C)[nH]c34)cc2)CCC1 1789019736 SSMXDSDSPILXRY-UHFFFAOYSA-N 427.548 5.418 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc4sccn4c3)CCC2)cc1 1789451308 GTZFRQZPNSESRX-OAQYLSRUSA-N 433.577 5.517 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc[nH]c2cc1Cl 1797610160 ZWMHFVHDVCJHAS-BCDXTJNWSA-N 427.976 5.066 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)CCCc3ccccc3F)CC2)C1 1805452209 UPHPBIIBOWOFPK-UHFFFAOYSA-N 440.603 5.148 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3occc3c2)[C@@H]1c1cccnc1 1809345888 IOVLBBZNVAKFJW-UPVQGACJSA-N 445.563 5.140 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)CCCCC)[C@@H]1c1cccnc1 1810502322 HBTHUZUYLQTJOF-AKIFATBCSA-N 427.633 5.296 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2oc3ccccc3c2C)n[nH]1 1818569475 SMCXRYKVQRWCIF-RXVVDRJESA-N 446.551 5.539 30 20 IKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)[nH]n1 1821986242 CFOGHRCKBSFVLD-GNBUJSLZSA-N 448.558 5.220 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3cccnc23)CC1 1828038324 STSBMKXKYFJMRX-XMMPIXPASA-N 447.623 5.461 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(Cl)c2)CC1 1828827913 ZKUDYIILKJPGPR-GOTSBHOMSA-N 429.004 5.342 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ccoc23)CC1 1828830980 RMRWXACHVPFWNN-ISKFKSNPSA-N 434.580 5.435 30 20 IKED Cc1ccccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830723113 WTBOGMALVVHMJX-DEOSSOPVSA-N 449.982 5.067 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)cc2OC)CC1 1832583454 IRMIHLJZGPPTQH-HSZRJFAPSA-N 440.628 5.229 30 20 IKED C=CCn1c(=S)[nH]c2cc(C(=O)Nc3nc(-c4ccc(C)cc4C)cs3)ccc2c1=O 11357759 IURYGYBEUPMZDM-UHFFFAOYSA-N 448.573 5.238 30 20 IKED C=CCn1c(SCc2nnc(-c3cc(C)c(CC)s3)o2)nnc1-c1ccc(F)cc1 18773125 CHPQLVWIVYXAMU-UHFFFAOYSA-N 441.557 5.545 30 20 IKED COc1ccc(C#N)cc1NC(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1 64455651 CHIVTWMDCWAUDE-OAQYLSRUSA-N 437.293 5.088 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(-c2ccccc2)c1C1CC1 195611393 ORWZCPGWDGKOAV-UHFFFAOYSA-N 435.487 5.369 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(F)cc2F)ccc1OCC(=O)N(C(C)C)C(C)C 209979767 VPGINZSDGACRKJ-XFFZJAGNSA-N 445.506 5.284 30 20 IKED COc1ccc(CNC2CCN(c3ccc(C(C)(C)C)cc3)CC2)cc1OCCCC#N 237357692 VFECKVXRTYBNRK-UHFFFAOYSA-N 435.612 5.434 30 20 IKED C[C@H]1CCc2c(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)csc2C1 255950388 YPIQYLLSSBLOOJ-LBPRGKRZSA-N 426.592 5.141 30 20 IKED COc1cc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)ccc1OC(C)C 303202307 OOGMEWUSBCQSPC-HSZRJFAPSA-N 430.504 5.056 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1-c1ccccc1 428324839 YYRVLBWCRUPRSE-UHFFFAOYSA-N 432.487 5.259 30 20 IKED N#CCSc1cccc(C(=O)Nc2nc(-c3cc(Br)cs3)cs2)c1 430930800 ULBPPQXUYVOSDP-UHFFFAOYSA-N 436.381 5.502 30 20 IKED Cc1cccc(CC2(O)CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)c1 431975357 WUFJLECUHQBLGS-UHFFFAOYSA-N 441.531 5.261 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc(-c4nc(C5CC5)no4)cc3)c2)c1 433413673 MDFBGPHHWLNTHL-UHFFFAOYSA-N 436.471 5.317 30 20 IKED N#CCCCOc1cccc(NC(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)c1 435553331 DNUHEIRRMLJZQD-UHFFFAOYSA-N 430.895 5.614 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccccc1 435761595 GJQYHCYFWVYBHB-IFMALSPDSA-N 434.515 5.472 30 20 IKED Cc1ccc2oc(CN(Cc3ccco3)C(=O)N[C@@H](CCC#N)c3ccccc3)cc2c1 438860839 QUGNIVDJKTVYNB-DEOSSOPVSA-N 427.504 6.091 30 20 IKED COc1cccc(C2(F)CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)c1 439523503 XTBGDWHRQWSWSP-QGZVFWFLSA-N 427.545 5.582 30 20 IKED N#CCC[C@H](NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1)c1ccccc1 439664687 HAFJRTMRFQMRNH-FQEVSTJZSA-N 435.574 5.254 30 20 IKED Cc1cc(C#N)ccc1C(=O)Nc1c(C)cccc1-c1nc2cc(F)ccc2n1C(C)C 440066827 YLYRQCHHRUWYEX-UHFFFAOYSA-N 426.495 6.164 30 20 IKED CCSc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 440359809 XJKIDXXXIPTEDE-UHFFFAOYSA-N 435.480 5.179 30 20 IKED Cc1oc(NC(=O)CN2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)c(C#N)c1C 440675987 LYQQCUFGBFVIKR-HXUWFJFHSA-N 432.524 5.322 30 20 IKED CCC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccccc1 441588176 IRRGEZFKSGBWEH-NRFANRHFSA-N 431.467 5.086 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1ccc2ncsc2c1)c1ccc(C(F)(F)F)cc1 442053192 HRLSNCCTHAQGSK-MRXNPFEDSA-N 433.455 5.077 30 20 IKED C=CCC[C@H](NC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)c1ccc(C(F)(F)F)cc1 442278087 CBZUDIGXAKUKQK-FQEVSTJZSA-N 439.522 5.001 30 20 IKED CC(C)(C#N)CCCCN1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 444655980 YZVRPBSAMDIUCV-GOSISDBHSA-N 431.378 5.280 30 20 IKED FC(F)n1c(CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)nc2ccccc21 444743661 MEXBAMYPRGOTCC-AWEZNQCLSA-N 437.334 6.234 30 20 IKED Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)c1cccc(CC#N)c1 460328265 HXNLNXNMXCCOAH-UHFFFAOYSA-N 426.495 6.050 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1C 465459561 NBAWQXXQPJLUHH-KRWDZBQOSA-N 443.576 5.585 30 20 IKED C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(OCC(F)(F)F)cc1 469145658 UINRXJZICCLPJN-INIZCTEOSA-N 431.458 5.384 30 20 IKED CC(C)(C)[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(F)c1 470538477 QFDPJGAWQHZIHL-HSZRJFAPSA-N 436.531 5.318 30 20 IKED O=C1CCc2cc(C(=O)N[C@@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)c(F)cc2N1 474257876 GVKJGRHLFAKXAE-INIZCTEOSA-N 448.338 5.153 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCCC[C@H]2c2nc3ccccc3o2)n1 481277070 VVBKRFQKWADZMS-IBGZPJMESA-N 446.898 5.298 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 481716955 UPLIJBUWNQEMOQ-UHFFFAOYSA-N 429.951 5.227 30 20 IKED N#C[C@H](C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1cnc2ccccc2n1 483219941 MWHNHDNSKZGNKB-FQEVSTJZSA-N 440.528 5.143 30 20 IKED CCc1c(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cnn1-c1ccc(C(F)(F)F)cc1 484822030 PPHXJGIEHWQALX-AWEZNQCLSA-N 427.430 5.208 30 20 IKED CCOc1cc(-c2nnc(Sc3ccc(Cl)c(C#N)n3)o2)cc(OCC)c1OCC 486440384 YEKUJYLBZSHSGG-UHFFFAOYSA-N 446.916 5.004 30 20 IKED N#CCCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C12CC3CC(CC(C3)C1)C2 486558582 KKFQRUIOTHCVFQ-UHFFFAOYSA-N 436.537 5.043 30 20 IKED Cc1ccc(OCc2cccc(C(=O)N(CCC#N)C34CC5CC(CC(C5)C3)C4)c2)cn1 486560442 NHYSZASHJAOGQS-UHFFFAOYSA-N 429.564 5.294 30 20 IKED C[C@H](Oc1ccccc1F)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 487353244 NMJPETUDWPAEOF-LBPRGKRZSA-N 449.429 5.169 30 20 IKED Fc1ccc(-n2ccc(CN[C@H](c3ccccc3OC(F)F)C(F)(F)F)n2)c(F)c1 487938298 HXROYUHPPNKYDR-QGZVFWFLSA-N 433.327 5.145 30 20 IKED C[C@@H](NC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F)c1nc(C(F)(F)F)cs1 488606866 FFNSWDHIINEGII-KSBSHMNSSA-N 433.324 5.104 30 20 IKED O=C(Nc1cc(F)c(OC(F)F)cc1F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2 490282410 GMUOMYWVPZIJBX-URJYKCIISA-N 425.344 5.654 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)c1ccc(-c2ccccc2OC)cc1 498042349 RTRVSQZFMWHTRN-LJQANCHMSA-N 434.536 5.296 30 20 IKED N#CCCn1cc(CNC[C@H]2CC3c4ccccc4C2c2ccccc23)c(-c2ccccc2)n1 500111851 MZIQFBOBIGXDDK-JOLTYGGCSA-N 444.582 5.851 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)N(Cc1ccco1)c1ccccc1C#N 501024794 XMGMXTYCJGFLPV-UHFFFAOYSA-N 447.491 5.481 30 20 IKED COCC1(C#N)CCN(C(=O)N[C@H](c2ccccc2)c2cc(Cl)ccc2Cl)CC1 501880862 JLLQQKMSOPOJRA-HXUWFJFHSA-N 432.351 5.045 30 20 IKED Cc1csc(N2CCC(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)CC2)n1 501965666 ZEEAIAZNHXDAJU-MRXNPFEDSA-N 442.654 5.391 30 20 IKED N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1cccc(C(F)(F)F)c1 505933291 HCSWIUIJOCOPJY-PMPSAXMXSA-N 428.332 5.089 30 20 IKED Cn1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc2ccccc2c1=O 506478218 SNGCRHKYFLCKNI-OAQYLSRUSA-N 427.891 5.100 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 506680296 MGNIYSXTNKKMSZ-UHFFFAOYSA-N 426.520 5.501 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1 508913881 JGTQRJJESKHTFD-UHFFFAOYSA-N 429.495 5.035 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 510594433 UWQJYFONDJLFDS-AWEZNQCLSA-N 427.382 5.170 30 20 IKED CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 510856951 JPPZMQAPVAVIGE-AREMUKBSSA-N 441.531 6.427 30 20 IKED C=CCn1c(SCc2csc(-c3ccc(OCC)cc3)n2)nnc1-c1cccnc1 514487163 NBUZUYOSINHIER-UHFFFAOYSA-N 435.578 5.341 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)[C@H](C)c1cccc(Cl)c1 516737755 AJLCJBJQLKRRPY-QGZVFWFLSA-N 447.922 5.471 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cn(C)nc1-c1ccccc1Cl 517480964 RJAXNPZOVNFUIT-UHFFFAOYSA-N 443.894 5.360 30 20 IKED C[C@@H](NC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1)c1ccc(C#N)cc1 517614331 GZHMNDLBRWNTAS-KBMIEXCESA-N 438.531 5.418 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)NCCSCc1ccccc1C#N 518451128 JTXVGZSSGFXNBB-KRWDZBQOSA-N 436.606 5.284 30 20 IKED C=CCN(C(=O)c1ccc(Cl)cc1OC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 519108917 STUYFYMBUBJGNP-UHFFFAOYSA-N 429.885 5.213 30 20 IKED Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)[nH]c2c1 520292475 JYUQHSWFJVXJCQ-OAQYLSRUSA-N 442.548 5.159 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)cc2)c1 521328504 WMRBFIUVALIJLH-FQEVSTJZSA-N 440.503 5.233 30 20 IKED C[C@@H](C#N)CSc1ccccc1N[C@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1 521734380 OMHKIQCQVGTLKM-FCHUYYIVSA-N 443.616 5.968 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCCCOc1cccc(C#N)c1 521957745 VXZSMGHNTZCFMN-UHFFFAOYSA-N 439.515 5.505 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCCc4cc(OC(F)F)ccc43)c2)c1 522313595 OMFBKYMNQLJJIH-UHFFFAOYSA-N 434.442 5.332 30 20 IKED COc1cc(CSCc2noc(-c3cccs3)n2)ccc1OCc1cccc(C#N)c1 523938862 IGZNYSHWJXEQCX-UHFFFAOYSA-N 449.557 5.691 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F 524431606 QFUVSGVOEJJSFM-JTQLQIEISA-N 436.327 5.021 30 20 IKED COc1ccccc1[C@@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccccn1 535553148 FDQZNHKFEOSXSJ-HHHXNRCGSA-N 449.510 5.060 30 20 IKED COc1ccccc1[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccccn1 536338666 OAVFEUOLAGCUFJ-NDEPHWFRSA-N 435.527 5.420 30 20 IKED C[C@@H](c1ccccc1)n1c(SCCCC2(C#N)CCOCC2)nc2ccccc2c1=O 540768193 HCJFWDFWEXTOAA-IBGZPJMESA-N 433.577 5.198 30 20 IKED C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CCS2)c1ccc(-c2cccc(C#N)c2)cc1 541131296 LAAWPPSTUFYCLD-MRXNPFEDSA-N 427.529 5.151 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2nc(Cc3ccccc3)cs2)cc1C 541348146 MIKWKSZVFVLPAX-UHFFFAOYSA-N 441.560 5.380 30 20 IKED COc1cc(C#N)ccc1NC(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C 547419391 VTCRUUKWUMMXIT-UHFFFAOYSA-N 425.492 5.120 30 20 IKED CCN(C(=O)c1ccc(C#N)c(Cl)c1)[C@@H](c1cccnc1)c1csc2ccccc12 547955922 JAMFLGXPPFKZRB-QHCPKHFHSA-N 431.948 6.073 30 20 IKED COCCc1ccc(Oc2ccc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)cc2)cc1 550453138 KDLOGLDFSJVJLT-UHFFFAOYSA-N 441.409 5.206 30 20 IKED CCSc1ccc([C@H](C)NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 553856912 LKXYTFGQCGMVIL-INIZCTEOSA-N 427.545 5.123 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@H](c4cccc(F)c4)C3)cc2F)c1 557097317 KXPNCJKOAXKAFK-FQEVSTJZSA-N 433.458 5.437 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCCc4occc4C3)s2)c(C(F)(F)F)c1 572879880 BAYXLKQZEBNLIF-UHFFFAOYSA-N 446.454 5.198 30 20 IKED N#Cc1cc(F)cc(C2(c3nc(-c4ncoc4-c4cccc(C(F)(F)F)c4)no3)CC2)c1 589155206 YJVHNOHEAHPPPD-UHFFFAOYSA-N 440.356 5.501 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](CC)Cc2ccccc2)nnc1-c1ccc(Cl)cc1 590024305 HKDIPTRAVDMAEP-FQEVSTJZSA-N 441.000 5.014 30 20 IKED N#Cc1c(NC(=O)COc2ccc3ccccc3c2Br)sc2c1CCC2 594761166 HETBUVKFCXAYET-UHFFFAOYSA-N 427.323 5.042 30 20 IKED Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 603992305 PZQHYVGBLMBRCM-UHFFFAOYSA-N 427.533 5.272 30 20 IKED Cc1ccccc1OCc1nnc(S[C@H](C#N)Cc2ccccc2)n1-c1ccccc1 604041584 KETHFBBCBSNPRO-QFIPXVFZSA-N 426.545 5.382 30 20 IKED CN(Cc1csc(Br)c1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 604405643 JTUUMLQLDNDKOB-UHFFFAOYSA-N 447.383 5.093 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 607538626 FMJMSQPDXFASKB-QRWLVFNGSA-N 438.515 5.145 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(Cl)c(C(=O)NC4CC4)c3)cc2)cc1 609501309 DSKVAZYXAMURFO-UHFFFAOYSA-N 445.906 5.343 30 20 IKED Cc1ccc(-c2ncc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)s2)c(C)c1 609588744 LXCVDEXNPSRFGB-QGZVFWFLSA-N 426.339 5.184 30 20 IKED COc1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c(OC)cc1Cl 609723484 XPDITOGNQYGNIY-UHFFFAOYSA-N 443.286 5.927 30 20 IKED COc1ccccc1[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccco1 610875383 HADKTZVEWCDKBX-DEOSSOPVSA-N 440.459 5.258 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@H](C[C@@H]3CCOC3)c3ccccc3)cn2)c1 611075212 NGIOASDKGJYCID-WMZHIEFXSA-N 428.492 5.035 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(COc4ccccc4C#N)o3)n2)cc1 613318950 JXJUJARMJSCLCA-HXUWFJFHSA-N 439.496 5.652 30 20 IKED Cn1c(C(F)F)nc2cc(C(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)ccc21 684891519 FKKNFFVBMOWENU-URLYPYJESA-N 443.338 5.150 30 20 IKED CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N/[C@H](C)c1cccs1 726421130 KVFDVLUZPJFUCA-UCISPWQRSA-N 429.611 5.165 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(OC)c(NC(C)=O)c2)ccc1OCc1ccccc1 726429753 VVNDEELOGXTEHN-JLHYYAGUSA-N 445.515 5.527 30 20 IKED COc1ccc2oc(C)c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)c2c1 727996231 HKQJXFGFGIQMHP-UHFFFAOYSA-N 426.472 5.761 30 20 IKED COc1cc(C(=O)/C=C/c2csc(-c3ccc4c(c3)OCO4)n2)ccc1SC(F)F 728439531 AGKBOMQNTUMZPV-SNAWJCMRSA-N 447.484 5.758 30 20 IKED N#C[C@@H](C(=O)Cc1ccccc1Br)c1nc2cc(C(F)(F)F)ccc2s1 729186929 RANSIKVUXGGZHZ-LBPRGKRZSA-N 439.256 5.497 30 20 IKED Cc1cc(Cl)ccc1O[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C)c1ccccc1 730394346 HMCPHCQKYCSSIZ-DVECYGJZSA-N 429.907 5.532 30 20 IKED N#Cc1ccccc1/C=C/C(=O)O[C@@H](c1cc(Br)ccc1F)C(F)(F)F 730403261 ZWLFXRHORPCHGM-JZLODUJNSA-N 428.179 5.320 30 20 IKED Cc1ccc(OCc2nc(CC(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)cs2)cc1 730418202 SPCLEUAEFVVIDO-KRWDZBQOSA-N 437.521 5.198 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(-c3ccco3)nc3ccccc23)ccc1OC 733231606 DJVUUAMTEFQSPN-GOSISDBHSA-N 441.487 5.114 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1)c1nc2ccccc2o1 733681088 OOBJOAODXKQVAY-DRLORSAXSA-N 449.510 5.184 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1 733855297 OSWANWBXBKWUDP-QFIPXVFZSA-N 441.491 5.038 30 20 IKED C=CC[C@@H](NC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1)c1ccncc1 734679463 MNKUGYFKYVMTFF-JOCHJYFZSA-N 441.362 5.813 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(OC2CCCCC2)cc1 735593790 RBGVTXACHLHTIU-GOSISDBHSA-N 431.319 5.666 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1nc2ccccc2n1C(F)F 741429699 GBZSNRSAOVBPOK-BFHYXJOUSA-N 435.352 5.310 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CC[C@@H](c3ccccc3)[C@@H](C)C2)c1=S 742165941 MQELGBUBIZJUPG-PZJWPPBQSA-N 434.609 5.359 30 20 IKED N#Cc1ccccc1N1CCC(NC(=O)c2ccccc2SCc2cccs2)CC1 742193249 DZYSYCUDKGDTCN-UHFFFAOYSA-N 433.602 5.311 30 20 IKED N#Cc1ccc(F)c(CNCc2ccc(OCc3ccccc3)c(Br)c2)c1 742383379 LZBQEDBHUPXWOR-UHFFFAOYSA-N 425.301 5.329 30 20 IKED C[C@@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1C(F)(F)F 744038310 PXGICXPKBWPHDX-MFKMUULPSA-N 442.384 6.314 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3ccc(Oc4cccc(Cl)c4)cc3)o2)c1 744908836 DGCDAJIRZGCCLA-UHFFFAOYSA-N 431.835 5.411 30 20 IKED CCN(CC)c1nc2sc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cc2s1 744936213 OXFXAGVBOMWPNO-INIZCTEOSA-N 448.573 5.318 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(C)[C@H]2CCC[C@@H]2c2ccc(C)cc2)ccc1OC 745821144 YBHAFJNOZBUHNC-ZLNRFVROSA-N 435.568 5.162 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(C3CC3)nc3ccc(C)cc23)ccc1OC 746852092 CQWNSGRZRGKSMJ-LJQANCHMSA-N 429.520 5.040 30 20 IKED Cc1nn(Cc2ccccc2)c(C)c1C=NOCC(=O)Nc1c(C(C)C)cccc1C(C)C 748100513 QUXYSGBLYPLPLA-UHFFFAOYSA-N 446.595 5.784 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)/C=C(\C)c1ccccc1OC(F)F 753393958 IXXURRXQVOKWPT-RZXPCSSPSA-N 448.853 5.009 30 20 IKED COc1ccc(NCc2cc(C#N)ccc2Br)cc1NC(=O)OC(C)(C)C 754885536 ODLYSKSFIYESTC-UHFFFAOYSA-N 432.318 5.288 30 20 IKED C#CC[C@H](NC(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21)c1ccccc1 757777770 ILYYJWKQSDZKFR-RBUKOAKNSA-N 429.383 5.392 30 20 IKED CC[C@@H](Cc1ccccc1Br)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 757876553 XQVCHYYCYZDFDZ-DZGCQCFKSA-N 446.295 5.639 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 760306650 HJTOVGUBEPAHAE-UHFFFAOYSA-N 444.906 5.395 30 20 IKED CC(=O)N(c1nc(/C=C2\C(=O)c3cccc4c3[C@H]2CCC4)cs1)c1ccc(F)cc1F 763291285 VYZZZVUJJCVMKE-BEWREHSGSA-N 436.483 5.806 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN(C)[C@@H]2CCCc3nc(CC)sc32)c1=S 765081712 YZGPVAIPXAXTRM-GOSISDBHSA-N 440.642 5.038 30 20 IKED CC(C)c1ccc(C[C@@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 766606250 VROPQWUOKAEFBA-FQRUVTKNSA-N 439.559 5.151 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(COc3ccccc3F)on2)cc1 767072912 UEBMNTJNBVEYHE-OAQYLSRUSA-N 427.435 5.300 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1ccc(Cl)cn1)c1nc2cc(C(F)(F)F)ccc2s1 769289992 AWIBEXIJQCKOFC-GFCCVEGCSA-N 437.830 5.203 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H]2CCSc3ccc(Br)cc32)ccc1OC 772985972 MGRDXYXURZFJNW-WMZOPIPTSA-N 447.398 5.465 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1cccc(OC(F)(F)F)c1 775546208 BBZIIBNJSJOTFS-LSDHHAIUSA-N 437.487 5.269 30 20 IKED CCOC(=O)Nc1ccc(NCc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)cc1C#N 779598615 FGTUJKJGLGECSX-UHFFFAOYSA-N 447.539 5.366 30 20 IKED COc1ccc(C[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 781447996 KXHWCMCRYJUWEW-KBXCAEBGSA-N 440.952 5.536 30 20 IKED CC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ncc(-c2ccccc2)[nH]1 782553492 QIBAQKSLBUIQDY-BJKOFHAPSA-N 435.531 6.005 30 20 IKED Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 782580851 IAQKUXSIXPFOLH-AWEZNQCLSA-N 440.550 5.412 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CCc1ccccc1NC(=O)OC(C)(C)C 790910118 BSXCHKSOTAZIOE-QGZVFWFLSA-N 439.581 5.857 30 20 IKED COc1cc(/C=C/C(=O)c2ccnc(O)c2)ccc1OCc1ccc(Cl)cc1Cl 791432601 NKPHZJBIZRLKLB-QHHAFSJGSA-N 430.287 5.578 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N[C@H](C#N)c1ccccc1Br 793498782 OLEMWXBJSBBCGY-GOSISDBHSA-N 444.329 5.099 30 20 IKED C[C@@H](OC(=O)C[C@@H](CC#N)c1ccccc1)C(=O)Nc1ccccc1Cc1ccccc1 795979685 DFUGOIMZZRLJGN-NFBKMPQASA-N 426.516 5.235 30 20 IKED CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1cccc2ccccc12 799210250 PQRVILVJARCTPI-QFIPXVFZSA-N 445.544 5.023 30 20 IKED C#C[C@@H](NC(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1ccc(Cl)cc1F 806272701 JDHBENNNJWWQMP-YKGWIAGDSA-N 440.927 5.283 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 806452216 SMAHFDLPTJOESI-AREMUKBSSA-N 428.576 6.306 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1N(C)C(=O)c1cccs1 814549098 IRXNOBXQWIOQAD-UHFFFAOYSA-N 430.982 5.568 30 20 IKED O=C(N1CCC(C(F)(F)F)(C(F)(F)F)C1)C(F)(F)c1cccc(Cl)c1Cl 857452664 JTVDJCOYPQOOIT-UHFFFAOYSA-N 430.122 5.429 30 20 IKED Cc1nc(COc2cccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c2)cs1 915085703 ALFDXADYCQEIFN-VWLOTQADSA-N 439.540 5.938 30 20 IKED COc1cc(CCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc(OC)c1 915103857 GWSBAKMWYZRUEQ-MRXNPFEDSA-N 434.439 5.141 30 20 IKED COc1ccc(C(=O)/C=C/c2ccc(/C=C/C(=O)c3ccc(OC)cc3F)cc2)c(F)c1 916141610 NIOBXLVYLVGWEI-FNCQTZNRSA-N 434.438 5.774 30 20 IKED Cc1ccc(C(=O)CCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1C 916911999 YUYLPLXTFRRQHZ-JOCHJYFZSA-N 440.499 5.406 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1sc2cccc(Cl)c2c1Cl 916918828 QQEHODSFGWHGTM-AWEZNQCLSA-N 439.323 6.322 30 20 IKED Cc1ccc(-c2cnc(CCC(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)o2)cc1 916928981 ZTAXTHOCKWHGSX-INIZCTEOSA-N 442.302 5.237 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 916945048 RAWQUOVLLATLBG-KRWDZBQOSA-N 448.306 5.302 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4ccc(Br)cc4)CC3)n2)cc1 916973999 CFGBYVSJZAMJCE-SFHVURJKSA-N 437.362 5.789 30 20 IKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC[C@H](c3nc4ccccc4o3)C2)c1=S 917431107 YYZBFDRRBFSCNJ-SFHVURJKSA-N 449.555 5.384 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCc3[nH]c4ccc(F)cc4c3C2=O)cs1 917560729 XVIDPEOCMBWRTE-LFIBNONCSA-N 445.519 5.969 30 20 IKED CCN(CC)c1ccc2cc(C(=O)/C=C/c3csc(-c4ccsc4)n3)c(=O)oc2c1 920063984 NSXZCGPBMZWRTI-SOFGYWHQSA-N 436.558 5.720 30 20 IKED COCCOc1ccc(C(=O)/C=C/c2c(Cl)nc(Cl)n2-c2ccccc2)cc1OC 920067640 AHFUBADWWUMWDR-MDZDMXLPSA-N 447.318 5.109 30 20 IKED CCOc1cc(/C=C2/Cc3c(F)cccc3C2=O)ccc1OCc1ccc(C(=O)OC)o1 921264709 XSFCYGAFFBZRKN-WJDWOHSUSA-N 436.435 5.005 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cccc5c4OC(C)(C)C5)CCC3)cc2)C1 1785806704 OEHUSYAUEQWVPY-UHFFFAOYSA-N 430.548 5.114 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Nc3nccs3)CCC2)cc1 1785841888 BQIVYVHSXADRSH-QGZVFWFLSA-N 440.613 5.070 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCc3cccc(OC)n3)CCC2)cc1 1789624023 BAILJTRFFGMTMY-UHFFFAOYSA-N 449.595 5.149 30 20 IKED CC(C)c1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)c[nH]4)cc3)CCC2)cc1 1790147477 YKFPMWPBSDCYJV-UHFFFAOYSA-N 426.520 5.071 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc3ccccc13)C2 1798419932 PTLMJIZFGIFZML-NUNAXRQHSA-N 446.667 5.143 30 20 IKED C=C(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1-c1ccc(C)cc1)C2)C(F)(F)F 1801701892 ICCRYOPBBIIVML-ACDBMABISA-N 442.481 5.032 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1821857092 NXDSOVBSWFRMNX-DENIHFKCSA-N 428.964 5.071 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1 1823753475 QKASEUQDJVCVFB-GNLZIIPMSA-N 428.661 5.425 30 20 IKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)CC1 1828155501 FWWSLNBHBCVPIY-OAQYLSRUSA-N 440.584 5.077 30 20 IKED COc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)c(Cl)c1)[n+]1cccc(O)c1 10118211 ILOYMHOABDLRGV-UHFFFAOYSA-O 448.351 5.046 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2cccc(C)c2C)cc1 10167722 CPKUJZXTAPNUIB-UHFFFAOYSA-O 434.541 5.112 30 20 IKED Cc1ccccc1OCc1nnc(SCC(=O)c2ccc(C#N)cc2)n1-c1ccccc1 18961994 VDGDUBUDQRGZQM-UHFFFAOYSA-N 440.528 5.001 30 20 IKED COc1ccccc1[C@@H](CNC(=O)c1ccccc1-c1ccccc1C#N)N1CCCCC1 59782695 FDWSAMDSKKUCKK-AREMUKBSSA-N 439.559 5.191 30 20 IKED C[C@@H](c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1)N1CCOCC1 78603793 LRZXWAQFVPDFIC-IBGZPJMESA-N 443.572 5.355 30 20 IKED Cc1oc(-c2ccccc2)nc1CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 302976840 UGLXFGWCUXVKDJ-UHFFFAOYSA-N 439.490 5.432 30 20 IKED O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 303007757 OAVFZMYHENWCJI-ZDUSSCGKSA-N 448.382 5.126 30 20 IKED Cc1ccnc(Oc2cc(NC(=O)c3occc3COc3cccc(C#N)c3)ccc2C)c1 303943839 GFNJCVKBFGDLKF-UHFFFAOYSA-N 439.471 5.787 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 409497108 CRNLLHUBNPHWLF-UNMCSNQZSA-N 444.487 5.119 30 20 IKED C[C@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1CCCC1(C#N)CCOCC1 410417531 LBFHLGWJDRJSKX-UGKGYDQZSA-N 448.010 6.430 30 20 IKED CCOc1cc(C#N)cc(Br)c1OCc1nc(-c2occc2C(C)C)no1 426227736 QTQBQINNTWCGJL-UHFFFAOYSA-N 432.274 5.065 30 20 IKED N#Cc1c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])sc2c1CCCCCC2 429867894 REALSVWLPMQVNV-UHFFFAOYSA-N 434.315 5.202 30 20 IKED Cc1nc([C@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c2ccccc2F)no1 438030206 SNTDOJFYRRGHEO-JOCHJYFZSA-N 443.438 5.092 30 20 IKED CCCCOc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 438644888 CVXDBOZISVNKCK-UHFFFAOYSA-N 447.466 5.246 30 20 IKED N#CCC[C@@H](NC(=O)Nc1cc(Br)ccc1N1CCCC1)c1ccccc1 439490315 IFVPUURDSAWXLC-GOSISDBHSA-N 427.346 5.216 30 20 IKED N#Cc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)c(OC(F)F)c1 439543167 RJDJZQDJHWZJCU-UHFFFAOYSA-N 435.459 5.095 30 20 IKED CC[C@H](Nc1ccc2c(c1)N(C(=O)Cc1cccc(OC)c1)CC2)c1ccc(C#N)cc1 447609580 YKKFEYXPACFXNM-VWLOTQADSA-N 425.532 5.262 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 463259213 PATAEURVNQMORT-CTNGQTDRSA-N 447.348 5.206 30 20 IKED N#Cc1cc(NC(=O)c2cc(C3CC3)nc3ccc(F)cc23)ccc1OCC(F)(F)F 463389813 HERURPMSFZNOPL-UHFFFAOYSA-N 429.373 5.316 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1ccn(-c2ccc(F)cc2)n1 463951643 PLIBGUHPGKXGGV-UHFFFAOYSA-N 442.519 5.007 30 20 IKED CC(C)(C)n1cc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c(-c2ccc(F)cc2F)n1 464414388 JUZZRQDFJOARDI-OAHLLOKOSA-N 448.395 5.487 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1c(F)cc(C#N)cc1F 464466465 WGRZCBJYTRBQCS-UHFFFAOYSA-N 425.822 5.303 30 20 IKED Cc1c(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cnn1-c1cccc(C(F)(F)F)c1 464937950 LGYHYZARWJATKW-UNMCSNQZSA-N 438.453 5.112 30 20 IKED CC[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nc(C(F)(F)F)cs1 467704308 INVRPGRIKIFLAK-QGZVFWFLSA-N 446.454 6.099 30 20 IKED N#CCSc1cccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)c1 468251604 PTEKCBPKZACLED-UHFFFAOYSA-N 441.478 5.559 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1cccc(OC(F)(F)F)c1 470010763 ZQFQQRNYZFALEH-OAHLLOKOSA-N 437.487 5.050 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 475574078 VIWOWHVVNUBPDB-QFIPXVFZSA-N 430.552 6.348 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1 476124083 SHNYNYJCEVAMGW-UHFFFAOYSA-N 445.559 6.387 30 20 IKED C=C(C)[C@H](NC(=O)N[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1)c1ccc(F)c(F)c1 477175030 GNIBRXWMBREGMV-YJYMSZOUSA-N 430.430 5.140 30 20 IKED Cc1c(C(=O)N(CC(C)C)c2ccc(C#N)cc2)cnn1-c1cccc(C(F)(F)F)c1 480090802 BKWUYUICZLALAD-UHFFFAOYSA-N 426.442 5.374 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 480113103 BZMUIHWYGVSRSY-FQEVSTJZSA-N 429.524 5.115 30 20 IKED CCc1ccc([C@@H]2COCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)o1 480632475 CJMMIXGELYHZEW-NRFANRHFSA-N 447.491 5.120 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1ccc(Br)cc1 482103297 UWSWRWVBTGKZGG-UHFFFAOYSA-N 436.309 5.388 30 20 IKED N#C[C@H](C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1nccc2ccccc12 483225445 HWIVBEPNIMRQRT-KRWDZBQOSA-N 431.904 5.692 30 20 IKED CCC[C@@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1ccccn1 483647880 SPCMQSNMJMGQPV-QGZVFWFLSA-N 444.482 5.542 30 20 IKED C[C@@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)C[C@H](CC#N)c1ccccc1 483772452 GLXHHBGSJLELGT-QPPBQGQZSA-N 437.543 5.433 30 20 IKED C[C@H](NC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F)c1nc(C(F)(F)F)cs1 488606871 FFNSWDHIINEGII-UPONEAKYSA-N 433.324 5.104 30 20 IKED CC1(C)CN(C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 497835216 DRZXEICTRXWHHD-FQEVSTJZSA-N 430.470 5.499 30 20 IKED CC(C)CC[C@@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1ccc(Cl)cc1 498631621 VPTNIWFBUJNGRF-JOCHJYFZSA-N 447.000 5.325 30 20 IKED CCc1c(C)nn(-c2cccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c2)c1C 500443756 VCRFWPWUFWFXMX-IBGZPJMESA-N 433.462 5.286 30 20 IKED COc1ccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(OC)c1 502469098 QJGYCTKBKMIEDN-UHFFFAOYSA-N 437.883 5.452 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc23)cc1 503369179 FXWOBWFRIKMNJA-SXOMAYOGSA-N 432.523 6.227 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCC3)CC2)cc1 503626615 HPULSNZXNCENDY-UHFFFAOYSA-N 440.469 5.498 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1)c1ccccc1 504418526 KGMGZFFWMXYPJO-FCHUYYIVSA-N 449.599 5.135 30 20 IKED C[C@H]1CN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)c2ccccc2N1Cc1ccccc1 504681165 UCSSZJZBTHTJGF-INIZCTEOSA-N 436.437 5.028 30 20 IKED Cc1nc(CSc2ccccc2C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cs1 505333099 ZYRCMYQNKCLAHT-KRWDZBQOSA-N 448.400 6.045 30 20 IKED N#C[C@@H](NC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1c(Cl)cccc1Cl 505505150 DPYOPHBKKCYXHY-QGZVFWFLSA-N 445.375 5.201 30 20 IKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@@H](c1ccccc1)N(C)C 505609958 KYOZYIDDVBOTAC-DFBJGRDBSA-N 429.589 5.272 30 20 IKED Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3cc(C)n(CCC#N)n3)c2c1C 506174179 LKORXBYUTBNLMP-UHFFFAOYSA-N 448.577 5.130 30 20 IKED C=CCC[C@H](NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)c1ccc(C(F)(F)F)cc1 508251529 LKDSMPSRLOPHCN-HKUYNNGSSA-N 447.505 5.297 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2oc3cc(OC)ccc3c2-c2ccccc2)cc1 508566923 GSTNOUPZJYMIBM-UHFFFAOYSA-N 441.487 5.668 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@]2(C1)OCc1ccccc12 508949376 HTYNXCHGBDFYBV-QFIPXVFZSA-N 427.335 5.074 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3cc(C#N)ccc3OC(C)C)c12 509562868 BDLMOCIXQGPTGY-UHFFFAOYSA-N 431.540 5.283 30 20 IKED CC(=O)Nc1cccc(NC(=O)[C@@H](Sc2nc(-c3ccccc3)ccc2C#N)C(C)C)c1 510204433 WQWSIVHKWSFMBJ-QHCPKHFHSA-N 444.560 5.334 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)cc1 511318373 DIUPPUZDKXQSDJ-FQEVSTJZSA-N 425.941 5.228 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1(c2ccc(F)cc2)CCOCC1 512845494 SXXQWAOMHUBVNX-UHFFFAOYSA-N 430.479 5.485 30 20 IKED C[C@@H]1CCCCN1CCCCNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 514108141 VVPMXCYOXADQQD-OAQYLSRUSA-N 436.575 5.064 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CCCOc1cccc(Br)c1 517455591 ULLBPABSBSMQNC-OAHLLOKOSA-N 433.371 5.499 30 20 IKED Cc1ccc(Sc2ccc(NC(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2)cc1C 518178790 PWOYTWFYOOANHV-UHFFFAOYSA-N 443.576 5.075 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CCNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1 518231920 OWEYORYMOISNKO-UHFFFAOYSA-N 443.547 5.012 30 20 IKED COc1ccc(CNC[C@@H]2CC3c4ccccc4C2c2ccccc23)cc1OCCCC#N 520204883 LCRMEAQPCFYFQB-GKECAPAKSA-N 438.571 5.765 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(OC3CCC(C)CC3)CC2)cc1 520853560 XOULGFLRPVCXHN-UHFFFAOYSA-N 439.600 5.092 30 20 IKED N#C[C@@H](C(=O)c1ccc(Br)c(F)c1)c1nc(-c2ccc(Cl)cc2)cs1 520910491 RCSNNFCNYHMHCR-ZDUSSCGKSA-N 435.705 5.855 30 20 IKED CCCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H]1CCc2ccccc21 521840682 GNCXRLHARHYQMK-HHHXNRCGSA-N 439.559 6.263 30 20 IKED C=CCn1c(SCC(=O)N(CCCC)C2CC2)nnc1-c1ccc(Cl)cc1Cl 524454620 NCZKXHKLIPZRIE-UHFFFAOYSA-N 439.412 5.321 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 539617763 UEYSDTLKBWSRNI-YADHBBJMSA-N 446.517 5.160 30 20 IKED Cc1cc(Br)cc(C)c1NC(=O)CCCSCc1ccc(CC#N)cc1 542220396 KYKFTOZTFZQAEX-UHFFFAOYSA-N 431.399 5.784 30 20 IKED C[C@H](N[C@H](C)c1ncc(-c2ccccc2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 542571151 LDEPFUGQIOBUHX-JKSUJKDBSA-N 434.565 5.221 30 20 IKED Cc1ccc(C)c(OC2CCN(C(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)CC2)c1 542961182 IUTMEHVPBUEWRW-UHFFFAOYSA-N 449.942 5.090 30 20 IKED COc1ccc(C2(C(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CCOCC2)cc1 546705535 YIOCLYHUQMZUCC-FQEVSTJZSA-N 440.543 5.159 30 20 IKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N(Cc1ccc(C#N)cc1)C1CC1 553859165 MMSXUDGLLCTDLP-UHFFFAOYSA-N 431.539 5.816 30 20 IKED N#Cc1ccccc1COc1cccc(-c2nc(CC(=O)Nc3ccccc3Cl)no2)c1 554051478 HZIUANXBGXEVOQ-UHFFFAOYSA-N 444.878 5.022 30 20 IKED C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 554147268 URZVZWCSELBFNP-JXFKEZNVSA-N 449.605 5.707 30 20 IKED CCNc1ccc(C#N)cc1NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1 560588618 TUKHCZSQFVONQO-UHFFFAOYSA-N 436.562 5.035 30 20 IKED CN(CCc1nc(-c2ccccc2)no1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 567134211 FYRYLPIWZRHFRU-UHFFFAOYSA-N 439.475 5.107 30 20 IKED C=CCOc1ccc(C(=O)Nc2cc(C)nn2-c2ccccc2C(F)(F)F)cc1OC 589486547 QXUQDINKSDTPBB-UHFFFAOYSA-N 431.414 5.025 30 20 IKED N#C[C@H](C(=O)c1ccc(-n2cccc2)c(F)c1)c1nc2cc(C(F)(F)F)ccc2s1 591020041 CITVKFLUNUFFQT-CQSZACIVSA-N 429.398 5.735 30 20 IKED CCOc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1[N+](=O)[O-] 603673384 NLOQZYTUGZQGOP-LJQANCHMSA-N 435.867 5.555 30 20 IKED N#Cc1ccc(CNC(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)cc1 604075908 BIKPIVBQILQUBX-NRFANRHFSA-N 438.300 5.049 30 20 IKED CCc1ccc(CN(C)C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 604154440 OOKJBOMEHVTIQA-HSZRJFAPSA-N 445.950 5.155 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(OCc2cscn2)c1 606776180 BYXYMBWANLNYBM-UHFFFAOYSA-N 434.439 5.558 30 20 IKED CC(C)c1nn(C)c2sc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc12 608552895 NOLKWTITLLOBJZ-GFCCVEGCSA-N 448.495 5.877 30 20 IKED C[C@@H](CN(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 609005257 VOLIEWZFHRIVSW-FDDCHVKYSA-N 445.950 5.196 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnc(-c3ccccn3)s2)cc1 609012062 NODKTQAWRATOCC-UHFFFAOYSA-N 428.473 5.130 30 20 IKED COCCSc1ccc([C@@H](C)NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 609208334 DOYBJYUAZLZYOA-GOSISDBHSA-N 447.560 5.972 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H](c2nc3ccccc3o2)C1 609385176 WZEBOSYZCFOJGU-ZWKOTPCHSA-N 434.565 5.040 30 20 IKED COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 609432533 WOJUPFINUDICQQ-ZWKOTPCHSA-N 445.519 5.046 30 20 IKED Cc1cccc(-c2nc(CC(=O)NC3CCC(Oc4ccccc4C#N)CC3)cs2)c1 609509229 VJFLMROOTDJKDV-UHFFFAOYSA-N 431.561 5.039 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC[C@H](c3ccccc3)N3CCCC3)cc2)cc1 609514227 LHDRLUMWOQFYII-AREMUKBSSA-N 425.532 5.112 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 609644322 JQPCPHYEHKHFSF-GOSISDBHSA-N 427.529 5.784 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3ccoc3)n2)cc1Cl 609968344 YKVZGRZUQWYPQI-FQEVSTJZSA-N 433.920 5.893 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](COCc1ccccc1)c1ccccc1 610142642 FRRPXQXQWZONEZ-GBXCKJPGSA-N 445.588 6.160 30 20 IKED C=CCN(C(=O)c1ccc(Oc2ccccc2Cl)cc1)c1nc(C(=O)OCC)cs1 610471749 UFBPBRJFJSDLBZ-UHFFFAOYSA-N 442.924 5.598 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H](Oc4ccccc4Cl)C3)cn2)c1 611041769 YQAWREIBXMJUOL-LJQANCHMSA-N 434.883 5.084 30 20 IKED N#CCCn1cc(/C=C\c2nc(Cc3nc4cc(F)ccc4s3)no2)c2ccccc21 612931978 CNBODDZBXUWQGK-TWGQIWQCSA-N 429.480 5.448 30 20 IKED Cc1nn(C)c2sc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc12 613346346 GYFASMQVTNSCJG-ZDUSSCGKSA-N 447.372 5.864 30 20 IKED N#Cc1ccc(N2CCC[C@@H]2c2nc(-c3cc(Cl)ccc3OCC(F)(F)F)no2)cc1 615133289 WNAWYDIDMFWILT-QGZVFWFLSA-N 448.832 5.544 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(C)n1CC(F)(F)F 620304513 IFPOMJDXKSEERT-CYBMUJFWSA-N 439.409 5.559 30 20 IKED N#C[C@@H](C(=O)c1cc(Br)cs1)c1nc2cc(C(F)(F)F)ccc2s1 620847279 GKQRPZXBAUHJHE-VIFPVBQESA-N 431.258 5.629 30 20 IKED Oc1nc(CNc2cc(F)ccc2OCC(F)(F)F)nc2cc(C(F)(F)F)ccc12 635303714 NEELFHZHENMQQD-UHFFFAOYSA-N 435.299 5.047 30 20 IKED O=C(NCC(F)(F)c1ccc(Cl)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 672576543 HNLSHIWMHZDOLJ-PHIMTYICSA-N 438.746 5.204 30 20 IKED O=C(CCN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)Nc1cccc(C(F)(F)F)c1 674369008 OJSMYXIWKCCANC-VXGBXAGGSA-N 436.318 5.097 30 20 IKED O=C(Nc1ccc(F)cc1OC1CCCC1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 676275770 ZBYYDHLGHSBESI-VXGBXAGGSA-N 442.375 5.742 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2ccc(F)cc2F)n1)c1nc2cc(C(F)(F)F)ccc2s1 680984800 CHCNSXOMCKLVDE-GFCCVEGCSA-N 448.376 5.269 30 20 IKED C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 681497248 KYPXTFQQDVOHCB-IRUJWGPZSA-N 434.327 5.264 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3c(F)cccc3F)n2)cc1 726321438 JYFXPMUWAWVEAC-BBRMVZONSA-N 439.487 5.563 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(-c3ccccc3)cc2)[n+]2cccc(C)c2)c1 726573465 FHEYVHDLNZGTKN-UHFFFAOYSA-O 447.583 6.254 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1 728062395 MXIDGZVWRSNLIQ-IBGZPJMESA-N 427.548 5.701 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)CCCOc2ccc(C#N)cc2OC)c1 728182047 SCZSMLFHCOREKD-UHFFFAOYSA-N 430.529 5.002 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C)OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 728668307 SDPUUXZYZQJZRG-SFHVURJKSA-N 442.515 5.659 30 20 IKED N#CCOc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 729685334 JOFVJWVRKRUVRE-UHFFFAOYSA-N 428.923 5.385 30 20 IKED Cc1ccc(-c2c(C)sc3nc(/C(Cl)=C/c4cccc(OCC#N)c4)nc(O)c23)cc1 730151920 UFCVITFXHPOJFA-UYRXBGFRSA-N 447.947 6.320 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccsc3NC(=O)c3ccco3)cc2)cc1 731472712 HSTBMVCWIPBSJL-UHFFFAOYSA-N 429.457 5.510 30 20 IKED Cc1cccc(NC(=O)[C@H](OC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C(C)C)c1C 732398877 DQIUNYKAMITOQV-XMMPIXPASA-N 443.503 5.183 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 733639365 VTKCBOLPVXLBFR-UHFFFAOYSA-N 439.859 5.051 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)ccc1OC 733644903 GVPIMFJAOPXWDL-QPPBQGQZSA-N 439.531 5.246 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](C)c2ccc(SC(C)C)cc2)ccc1OC 733646842 BYRWMIDYTOLSDP-PXNSSMCTSA-N 441.597 5.437 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c23)c1 733770944 LPRZIBDQHUVHHA-SFHVURJKSA-N 446.551 5.300 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)c1 733774547 HIFSDZMFZCPIOO-IBGZPJMESA-N 447.583 5.229 30 20 IKED CC(C)OC(=O)NCc1ccc(NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 735173422 DGEPIMUEHYPDMS-MRXNPFEDSA-N 426.542 5.359 30 20 IKED N#CCOc1ccc(Cl)cc1CN1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 735309625 QOCZZDKDSQJUSD-LJQANCHMSA-N 429.706 5.262 30 20 IKED O=C(/C=C/c1ncc(-c2cccc(Br)c2)[nH]1)c1c(Cl)nc2ccccn12 737446591 XAPGMBGIYKHGJU-BQYQJAHWSA-N 427.689 5.036 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N[C@H](c3ccc(F)cc3)[C@H]3CCCO3)c2)s1 740063034 YINIXWDZLUKTGA-FYYLOGMGSA-N 435.524 5.145 30 20 IKED COc1ccc(SCCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC 740779348 PKWUXQQBILSWJU-JOCHJYFZSA-N 432.545 5.480 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1nc2cc(Cl)ccc2s1 741430339 KEBPGRDMPAAUCQ-MELADBBJSA-N 436.842 5.828 30 20 IKED COc1cc(/C=C/C(=O)c2c(F)cccc2N2CCOCC2)ccc1OCc1ccccc1 741448425 ZAHWZPIEIDQJSZ-ZRDIBKRKSA-N 447.506 5.146 30 20 IKED CCc1ccc(N2C(=S)N[C@@H](c3ccc(C#N)o3)C(C(=O)Nc3ccccc3)=C2C)cc1 743742080 IHBUYPWXFZMLKN-QHCPKHFHSA-N 442.544 5.062 30 20 IKED C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1Br)c1cccc(C#N)c1 743774587 CQHDMMPKGIAETC-OAHLLOKOSA-N 448.320 5.064 30 20 IKED CCCOc1c(Cl)cc(C=NO[C@@H](C)c2nc(-c3cccs3)no2)cc1OCC 744445138 IYPXHHYOUHNEDM-ZDUSSCGKSA-N 435.933 5.751 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3cc(-c4ccccc4)nc4ccccc34)o2)cc1 744475818 UYMAEHLOPVZTOW-UHFFFAOYSA-N 432.439 5.180 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(C)[C@@H]2CCC[C@@H]2c2ccc(C)cc2)ccc1OC 745821141 YBHAFJNOZBUHNC-DNVJHFABSA-N 435.568 5.162 30 20 IKED N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 745950016 ZTZZNCVOBQTMRG-INIZCTEOSA-N 426.259 5.142 30 20 IKED CCN(Cc1ccc(OC)cc1OC)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 746658074 ATYOJXIECQOIHE-XMMPIXPASA-N 429.520 5.413 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1cc(OC)cc(OC)c1)C(=O)c1ccccc1 747151157 YNFIGNYZGZUOEY-UQQQWYQISA-N 443.543 5.734 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(F)cc2OC(F)F)cs1 748439919 BLUFDDLUDIOVFT-UXBLZVDNSA-N 446.450 5.773 30 20 IKED C/C(=C\C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1OC(F)F 753396074 RTXLTJVGMRRCMA-ZHZWZMEUSA-N 439.245 5.346 30 20 IKED CC[C@@H](C#N)Oc1cccc(CN[C@@H](c2ccc(F)cc2)c2cnc3ccccc3c2)c1 753678048 FWBPCYPFJXJMQH-IGKIAQTJSA-N 425.507 5.934 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(CCO)[C@@H]2CCCc3ccccc32)cc1 754436974 PDRQPNDXEQEIGG-IZZNHLLZSA-N 425.532 5.246 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 757304369 KKOGDBSMOXUMJR-OAQYLSRUSA-N 439.471 5.019 30 20 IKED Cc1ccc(-c2cncc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2)cc1 757873410 ASFJXQVFISPHCD-HXUWFJFHSA-N 437.471 5.333 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)c1cccc(C(=O)c2ccccc2)c1 762041374 XDHAAXDSLZCUHI-MBSDFSHPSA-N 436.536 6.021 30 20 IKED C[C@@H](C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1cccc(C(=O)c2ccccc2)c1 762063202 SLVOGBOPWIULMB-QRWLVFNGSA-N 428.488 5.646 30 20 IKED C[C@H]1C(=O)N(c2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C(=O)N1Cc1ccccc1 771820482 UFJMBEQFHGLCBH-JTSKRJEESA-N 429.907 5.353 30 20 IKED CCCOc1ccccc1[C@H](CC(C)C)NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 775544971 LBBUBJXRPWMNDB-GMAHTHKFSA-N 442.563 5.389 30 20 IKED C[C@H](c1ccccc1)N(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)Cc1ccccc1O 776002516 FCDQSBPZMAXOEI-AUSIDOKSSA-N 448.526 5.193 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c(C(F)(F)F)ccnc1Cl 776800977 DHUKWYYRPSXBIP-UHFFFAOYSA-N 431.801 5.979 30 20 IKED N#Cc1cc(N[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)ccc1N1CCC(O)CC1 777115741 AZFPZAGKLZPCAD-VWLOTQADSA-N 433.502 5.193 30 20 IKED CCOc1ccccc1NC(=O)[C@H](OC(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 778536204 WTAGAMXUKUOLED-JOCHJYFZSA-N 434.879 5.147 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)Nc1cccc(OCC#N)c1 779402131 CGSFMUIGEWZIPD-OAQYLSRUSA-N 436.512 5.135 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(-c2ccc(Br)cc2)s1 780168063 UVFWUDQWFXLKLL-ZDUSSCGKSA-N 427.323 5.721 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2O[C@H](C)C#N)cc1C 780170593 YCTGWRKPTSRELK-HXUWFJFHSA-N 436.515 5.699 30 20 IKED C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccccc1O[C@H](C)C#N 780743472 BNIQFEIUCCRSQH-QWHCGFSZSA-N 425.838 5.479 30 20 IKED O=C(/C=C/c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(N2CCNC2=O)cc1 782370897 VGDFVFWJRYPECL-JXMROGBWSA-N 443.450 5.255 30 20 IKED Cc1nn(-c2ccccc2)c(Cl)c1CNc1ccc2c(c1)CCC(=O)N2CCCC#N 786826797 HPBRWGXXBPAPCF-UHFFFAOYSA-N 433.943 5.029 30 20 IKED O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1cc(C(F)(F)F)cnc1Cl 790975556 QDYWKBUUWOZJDJ-LLVKDONJSA-N 448.697 5.389 30 20 IKED C[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1 795988135 FFXGWUHHTSJOPE-PZJWPPBQSA-N 428.488 5.437 30 20 IKED N#Cc1sc(N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)nc1Cl 804446830 OSEVOMZBEHDQQJ-UHFFFAOYSA-N 427.892 5.014 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)s1 813445598 BXIOGJRZBMKVET-KRWDZBQOSA-N 427.570 5.412 30 20 IKED C=CC[C@@H](C)NC(=O)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)o1 815641667 FFDMZAQPQGJDBW-QGZVFWFLSA-N 430.504 5.013 30 20 IKED C=CCNC(=S)/C(=C(/O)c1ccc(OC)c(Cl)c1)[n+]1ccc(C(CC)CC)cc1 912775522 MJUVLKFSIJYJES-UHFFFAOYSA-O 432.009 5.527 30 20 IKED CCOC(=O)Cc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)cc1 915106961 YATVRWIPIDKTMX-NTCAYCPXSA-N 447.918 5.594 30 20 IKED COc1cc(/C=C/C(=O)c2cccs2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 916136958 ATAJBXKNWZVIRM-XBXARRHUSA-N 445.899 5.463 30 20 IKED CC(=O)Nc1cccc(C(=O)/C=C\c2c(C)nn(Cc3ccccc3Cl)c2Cl)c1 916137830 DOVUTXXPFQJDAX-KHPPLWFESA-N 428.319 5.401 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)ccc1OCc1ccc(F)cc1 916138288 CHTSXSZPTDPKIS-UUILKARUSA-N 447.506 5.146 30 20 IKED N#CCOc1ccc(C(=O)/C=C\c2csc(-c3cccc(Br)c3)n2)cc1 916152055 MKDDXQREZVERQM-TWGQIWQCSA-N 425.307 5.371 30 20 IKED Clc1ccc(CSc2nncn2N=Cc2ccc(OCc3ccccc3)cc2)cc1 916546253 IFHKUQPBKGPLAF-UHFFFAOYSA-N 434.952 5.685 30 20 IKED CCN(CCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(=O)OC(C)(C)C 916630913 WKGLBZDAKPNXPJ-QFIPXVFZSA-N 436.556 5.111 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(C)c([N+](=O)[O-])c2)cs1 917562262 YBRVEZZBMKAVEC-YFHOEESVSA-N 425.441 5.080 30 20 IKED Cc1ccc(-c2cnc(CCC(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)o2)cc1 920804760 YRSFYMLLTYARSS-MRXNPFEDSA-N 449.482 5.861 30 20 IKED Cc1nc(CSc2ccccc2C(=O)OC[C@H](C#N)Cc2ccc(F)cc2)cs1 920876229 GOKZTNHQUZPMDV-KRWDZBQOSA-N 426.538 5.422 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cccc(C)n3)cc2)CCC1 1785823940 KMUAJFWGUQGADO-WUKNDPDISA-N 429.564 5.306 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)cc3OC)CCC2)cc1 1786103360 SOQXTFBXOKLEEO-UHFFFAOYSA-N 448.563 5.220 30 20 IKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc4ccccc4c3)CCC2)cc1 1786371107 HKBMYMRNLLSJCB-FQEVSTJZSA-N 442.559 5.108 30 20 IKED Cc1c(C(=O)NC2(c3ccc(NC(=O)CCC#N)cc3)CCC2)cccc1C(F)(F)F 1787890394 FBPDPQOKYSUMOR-UHFFFAOYSA-N 429.442 5.065 30 20 IKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)o4)cc3)CCC2)c1 1788880480 GISCTBOUZQSSGB-UHFFFAOYSA-N 433.895 5.175 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H](c4ccccc4)N(CC)CC)cc3)CCC2)C1 1791127305 RWHXICXGYDAALM-VWLOTQADSA-N 445.607 5.170 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)C3CCC(F)(F)CC3)CCC2)cc1 1791296559 ZNWUFNFSPRRQEV-UHFFFAOYSA-N 426.454 5.157 30 20 IKED C[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3)CCC2)cc1)c1cccs1 1791815724 JNZLOYOQXZMDSR-QGZVFWFLSA-N 429.545 5.171 30 20 IKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Br)cc(C(C)C)c1)C2 1801640570 LCMYJUAXJHSQIN-HUJKARHJSA-N 447.417 5.037 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C[C@@H](C)c2ccccc2)[C@@H]1c1cccnc1 1802501478 OBIYKNOOJOYSEJ-LJGDZFJRSA-N 447.623 5.274 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C[C@H](C)c2ccccc2)[C@@H]1c1cccnc1 1802501480 OBIYKNOOJOYSEJ-PMWMKWCKSA-N 447.623 5.274 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccsc2)[nH]n1 1819553043 PRHHVYHABOVNFQ-SGQUHAKNSA-N 426.586 5.169 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CCc3ccccc32)n[nH]1 1822523908 JCBNPVXVBAXAGJ-IRLDBZIGSA-N 434.584 5.124 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc[nH]c4cc3Cl)CC2)C1 1823699918 BFOWNZFTXZLKOF-QHCPKHFHSA-N 439.987 5.021 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccccc2Cl)CC1 1826473841 UAQMHDCKYJYNPE-ISKFKSNPSA-N 443.031 5.271 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ccncc23)CC1 1828830112 LCQZAOAYGBKJTR-BVAGGSTKSA-N 445.607 5.237 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 1829068673 KCSPZXOECWRWNY-VWLOTQADSA-N 449.639 5.323 30 20 IKED Cc1ccc(-c2ccccc2C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCC#N)CC2)cc1 1830671561 ATRSFARXAXSQBF-AREMUKBSSA-N 443.591 5.199 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(F)c2F)CC1 1830776270 NBQRDBZBQJWBFL-OFNKIYASSA-N 444.566 5.275 30 20 IKED COc1ccccc1-c1nnc(SCc2ccc(C#N)cc2)n1CCc1ccccc1 15089311 PJMJVISVRRSYLE-UHFFFAOYSA-N 426.545 5.360 30 20 IKED Cc1ccccc1-n1c(SC[C@@H](C#N)CCC#N)nnc1-c1ccc(Cl)cc1Cl 15245383 DIIPCEOKNLOGJU-OAHLLOKOSA-N 442.375 6.085 30 20 IKED C=CCNC(=O)[C@@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CCC2 15855599 BIPIQBZJHZFACR-IBOXJLQUSA-N 432.545 5.021 30 20 IKED C=CCNC(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 16922543 LOSGKKPHOVUWDO-ZDUSSCGKSA-N 433.364 5.024 30 20 IKED C[C@H](OC(=O)c1ccc(-c2nc3ccccc3s2)s1)C(=O)Nc1ccccc1C#N 21458606 RUZXCZVOSOVPPJ-ZDUSSCGKSA-N 433.514 5.080 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1cccc(OC(F)F)c1 60673596 XHCVRVZNOAZJRL-MRXNPFEDSA-N 438.499 5.943 30 20 IKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)nc2ccccc2c1=O 63415379 QKWIHWBZFKPYQO-UHFFFAOYSA-N 445.331 5.232 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1 65141714 CGXRAEWZFQVSDF-UHFFFAOYSA-N 435.936 5.336 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cc(-c2cccs2)on1 96952703 QLNVHINSPFJPIG-UHFFFAOYSA-N 444.969 5.705 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cc1 104861546 JAZOZHYNZQOVIL-UHFFFAOYSA-N 448.523 5.494 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C1CC1 303288939 AKXOCFYZIVFCMY-INIZCTEOSA-N 447.526 5.703 30 20 IKED Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cc2F)n1 303470930 QPFZMKKMXZPYPP-UHFFFAOYSA-N 441.466 5.248 30 20 IKED N#Cc1ccc(NC(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c(Cl)c1 426144539 UYCSCKOPMZBBMO-HNNXBMFYSA-N 442.306 5.327 30 20 IKED CCCN(C(=O)c1cccs1)C1CCN(c2nc3c(cc2C#N)CCCC3(C)C)CC1 428141808 OJZYHHPKMWFNPJ-UHFFFAOYSA-N 436.625 5.150 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1noc(Cc2ccccc2)n1 430531261 NIPOXVDSLAHWQE-SFHVURJKSA-N 438.487 5.010 30 20 IKED Cc1nc(CSc2ccccc2C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cs1 430589994 GOKPRRIZNCMHFR-MRXNPFEDSA-N 427.620 5.988 30 20 IKED N#CCCC[C@@H](NCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)c1ccccc1 433027955 AJPHSBFLDNURGH-TZIWHRDSSA-N 432.549 5.044 30 20 IKED COc1ccccc1-c1nnc(SCCC(C#N)(c2ccccc2)c2ccccc2)n1C 434642880 NIVDIXSOFRSBJY-UHFFFAOYSA-N 440.572 5.483 30 20 IKED C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 437813318 BVRZRMYDAOJRST-FOVJLYNBSA-N 430.552 5.005 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 437831346 AYKTZJJFMMHLJF-SJBKTWHCSA-N 439.943 5.201 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 437882672 ROJZGBFKYRXBMG-GHTZIAJQSA-N 448.910 5.489 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 438038210 ABUVYUHYGGNBCC-LZJOCLMNSA-N 428.627 5.347 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O 439501020 RRDLZHRKHNZDER-TVTYIHBSSA-N 447.579 5.239 30 20 IKED C=C(C)Cn1c(SCc2nc(-c3oc4ccccc4c3C)no2)nnc1-c1ccco1 445502495 JKZWVRCITVSBMR-UHFFFAOYSA-N 433.493 5.511 30 20 IKED CC(C)N(C)c1ccccc1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 446228313 QNZFWYKNGNCYRE-UHFFFAOYSA-N 442.563 5.498 30 20 IKED Cc1sc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1-c1ccc(F)cc1 447159923 WPSSMBHPJBGRIJ-INIZCTEOSA-N 425.435 6.098 30 20 IKED C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCc2cc(Cl)c(Cl)cc2[C@H]1C 460950167 PBBRUIFXVWSZNW-CABCVRRESA-N 439.387 5.009 30 20 IKED Cc1ccccc1[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCO1 461845938 VVGRDTMIXASTPO-LADGPHEKSA-N 427.552 5.036 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1sc(C(F)(F)F)nc1C 462030832 JHMUGYLSGAHJPZ-UHFFFAOYSA-N 431.439 5.482 30 20 IKED COc1ccc(O[C@@H](C)CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 466209563 QJOZNCFBBZRIHF-SFHVURJKSA-N 431.492 5.257 30 20 IKED Cc1cnn(Cc2ccccc2F)c1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 470189036 CDSAEBDGQZPKMC-UHFFFAOYSA-N 440.478 5.082 30 20 IKED COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)Nc1ccccc1S[C@@H](C)CC#N 470361623 DZTSGJXIVUEQQR-GJZGRUSLSA-N 433.961 5.792 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 471356204 YGPCRBWEHFLLOH-AWEZNQCLSA-N 426.303 6.103 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 475581511 GJHFYMQUIYWQPK-NRFANRHFSA-N 432.486 6.163 30 20 IKED N#CCC[C@H](NC(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1ccccc1 482418945 VRKHQTBFHBFDAQ-IRXDYDNUSA-N 427.373 5.236 30 20 IKED C=CCN(C(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1 484264414 NQTBRFOICUJBKM-UHFFFAOYSA-N 428.576 5.352 30 20 IKED Cc1ccc(-n2ncc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c2C(C)C)cc1 484805525 HIXLAUFOBYRVLR-UPVQGACJSA-N 427.552 5.608 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 490221634 KYUABWSTASCTNK-UHFFFAOYSA-N 437.519 5.078 30 20 IKED Cc1cccc(Oc2ccccc2NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c1 498299461 PWNAAIRWGMWWJU-UHFFFAOYSA-N 434.517 5.117 30 20 IKED N#C[C@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc(Cl)cc1 499844443 KRHICPNYWXGWJI-KRWDZBQOSA-N 429.701 5.016 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cc1C 503180757 CQCZSVXUQHHDQJ-UHFFFAOYSA-N 438.535 5.477 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H](c3ccccc3)c3cccnc3)c2)c1 503281004 CRIKVLIFQLGPCW-RUZDIDTESA-N 447.498 5.117 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnc3c(cnn3CC(C)C)c2)cc1 505703553 RMLBKSAQSFCENA-UHFFFAOYSA-N 441.491 5.012 30 20 IKED N#CCCSc1ccccc1NC(=O)c1ccc(Br)cc1Br 507421620 FKBABDGRMPZGMZ-UHFFFAOYSA-N 440.160 5.470 30 20 IKED CCCc1c(NC(=O)Cc2c(C(C)=O)oc3cc(C)ccc23)cnn1-c1cccc(C#N)c1 507607748 SBYMCHPCGGUCPI-UHFFFAOYSA-N 440.503 5.135 30 20 IKED CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1 511059394 ATWUFCXBKKSOEH-CQSZACIVSA-N 427.595 5.356 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H](n2ncc3ccccc32)C1 512916846 GHCHGCKFXZFAEV-NRFANRHFSA-N 437.503 5.488 30 20 IKED CC(C)CN(C(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C)c1ccc(C#N)cc1 514396546 VGSQWUUTVNETIB-UHFFFAOYSA-N 443.576 5.915 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)CC2)c1 517119230 RWLAJPUQMIGKCK-UHFFFAOYSA-N 438.959 5.277 30 20 IKED C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 517182693 QFOYTFDTQDFAQB-LJQANCHMSA-N 438.572 5.288 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 517358336 ZRDKASCSABODJB-UHFFFAOYSA-N 439.003 5.045 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(-c4cn5ccsc5n4)cc3)cc2)nc1 517658138 BKYWBLAAIHGGJN-UHFFFAOYSA-N 437.484 5.374 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)CCOc2cccc(Cl)c2Cl)CC1 517693669 WRTKAHRGKBEOCK-UHFFFAOYSA-N 433.335 5.140 30 20 IKED CCCOc1ccccc1Oc1ncccc1CNC(=O)N[C@@H](C)c1ccc(C#N)cc1 518005279 KIJRAXCUFZFBQN-SFHVURJKSA-N 430.508 5.095 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 518169438 OYNMIGFJVBQWIZ-OALUTQOASA-N 446.576 5.795 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@H](c3ccccc3)c3cc4ccccc4o3)cc2)nc1 518372261 KZYJTRVREBJNFK-HHHXNRCGSA-N 445.478 6.011 30 20 IKED C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CCC(C#N)(c2ccccn2)CC1 519184594 YWOXMXPHRXMPEP-CQSZACIVSA-N 428.323 5.057 30 20 IKED CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1=O 519515303 BTEABKJUUWVAOZ-FHWLQOOXSA-N 435.593 5.586 30 20 IKED O=C(Nc1ccc(Oc2ccccc2)cc1C(F)(F)F)c1cc(F)c(F)c(F)c1F 520674874 MNXYOGRNZGSAOO-UHFFFAOYSA-N 429.291 6.306 30 20 IKED Cc1ccc(Cn2nc(C)c(CCC(=O)N(Cc3ccc(C#N)cc3)C(C)C)c2C)cc1 520707468 GWFMDURRHKYKJU-UHFFFAOYSA-N 428.580 5.098 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccc(Cl)cc3)C3CC3)cc2)c1 521333485 JRGBSMSATXCVFL-HSZRJFAPSA-N 445.906 5.210 30 20 IKED CCn1c([C@H](C)NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)nc2ccccc21 521653470 IMDUQXYIMCVVBQ-INIZCTEOSA-N 428.467 5.350 30 20 IKED Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 523420120 FRXFJMLNQIYVCL-KNQAVFIVSA-N 438.531 5.529 30 20 IKED Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C2CC2)cc1 524750864 XLPGVWLUPXMTJE-XMMPIXPASA-N 443.478 5.004 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)N[C@@H](C)C(=O)N(CCC#N)c3ccccc3)s2)cc1 525756609 IGJZTTDCBQAERL-MJGOQNOKSA-N 448.592 5.113 30 20 IKED C[C@H](C#N)CN(C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1)C1CC1 532810484 HQYFTZZPJAXSQA-CQSZACIVSA-N 445.445 5.505 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnc(-c3cccnc3)s2)cc1Cl 536428664 ZIAKILADZCTGMT-IBGZPJMESA-N 430.920 5.766 30 20 IKED CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 536735392 XJKPWOJEXPCDQR-AVRWGWEMSA-N 447.510 5.368 30 20 IKED COc1ccccc1-c1ccc(CN(C(=O)Nc2cc(C)n(CCC#N)n2)C(C)C)cc1 540814882 JWEWIEZLIJUYCD-UHFFFAOYSA-N 431.540 5.223 30 20 IKED C[C@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1ccc(-c2ccncc2)cc1 542032988 PPWGGYYPOIGDQZ-INIZCTEOSA-N 442.910 5.342 30 20 IKED CC(C)C(=O)Nc1ccc(CNC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 542979067 TXWSYMFPFLCYDS-IBGZPJMESA-N 440.547 5.380 30 20 IKED C[C@@H](NCc1ccccc1C(C)(C)C#N)c1nc(-c2ccc(Br)cc2)cs1 543497355 MOSIQFMNOWSOBV-OAHLLOKOSA-N 440.410 6.225 30 20 IKED C[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1nc(-c2ccccc2)cs1 543516729 YZELRMAAKSHJRC-SJORKVTESA-N 436.606 5.494 30 20 IKED C[C@@H](NC(=O)c1ccccc1COC1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 543857556 BFOUBFDFZFOFJC-HXUWFJFHSA-N 440.543 5.412 30 20 IKED Cc1cc(NC(=O)N(C[C@@H](C)C#N)C2CC2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 544601744 GIAHJSDTYXEKQW-NSHDSACASA-N 425.842 5.009 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 555076448 KQARYSYFQPPPFV-OPAMFIHVSA-N 445.485 5.090 30 20 IKED Cc1c(C(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)sc2ccc(C#N)cc12 559864477 MJIUTQNBLUEZBZ-HKBQPEDESA-N 444.581 5.783 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC([C@@H](F)c4ccccc4F)CC3)cc2)nc1 560723528 DSNYZCIILGYCST-XMMPIXPASA-N 433.458 5.448 30 20 IKED N#Cc1c(NC(=O)c2oc3ccccc3c2CSCc2ccccc2)n[nH]c1C1CC1 564000122 ARRNVDULOKFPKL-UHFFFAOYSA-N 428.517 5.591 30 20 IKED C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1noc(-c2ccc(Cl)cc2)n1 564306963 PHKWWDYOBLFUTO-QGZVFWFLSA-N 444.922 5.691 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)c2)c1 576386825 NMMBJPGDAWXSKC-UHFFFAOYSA-N 441.365 5.317 30 20 IKED Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 578944721 RPGANSUAYYFKBG-UHFFFAOYSA-N 430.851 5.615 30 20 IKED Cc1nn(-c2ccc(C(=O)Nc3sc(C)c(C)c3C#N)cc2)c(C)c1Br 603564322 CJJDEWBMQMMEKT-UHFFFAOYSA-N 429.343 5.054 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccc3c(c2)OCO3)cc1Cl 603748807 YMCOJXPRDFUGMI-FQEVSTJZSA-N 433.895 5.088 30 20 IKED C[C@@H]1Sc2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cc2NC1=O 603758856 LKISTPJWIZFOBZ-IFXJQAMLSA-N 447.947 5.680 30 20 IKED COc1ccccc1CN(CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1cccs1 603846152 WLTZEHSVULHVFX-UHFFFAOYSA-N 447.604 5.323 30 20 IKED Cc1ccc(-c2nc(CC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cs2)o1 604003556 MWPUYXADKCRLPS-UHFFFAOYSA-N 443.528 5.538 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@@H](OCC(F)(F)F)C2)cc1 604176396 LUOYYLSCJJSHFV-GOSISDBHSA-N 434.483 5.034 30 20 IKED Cc1ccc(Br)cc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 608552851 GPOKFMNWOFRUOE-CYBMUJFWSA-N 439.256 5.876 30 20 IKED CSc1ccc(F)cc1CNC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 608637993 DHZYKIMZHPEHIR-QWRGUYRKSA-N 432.405 5.256 30 20 IKED C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 608638524 GCECOBGJCGACAO-LRCAOYNASA-N 440.403 5.828 30 20 IKED CC(C)(CCc1ccccc1)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 608994926 WBFQWBUAFWGHFU-UHFFFAOYSA-N 437.594 5.235 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)Cc3c[nH]c4cc(Cl)ccc34)s2)cc1 609018490 BRTFXGGJOGMQKQ-UHFFFAOYSA-N 439.953 5.018 30 20 IKED COc1cccc2c1OC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)C2 609123427 KOFXPNJIMFEYJK-PZJWPPBQSA-N 447.922 5.129 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C1(c2ccc(Br)cc2)CCC1 609378107 WTLNPQNIRDKSPC-OAHLLOKOSA-N 429.383 5.761 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)nnn1-c1cccc(Cl)c1 609427179 SOUCVZPLBCRWQU-UHFFFAOYSA-N 429.867 5.145 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 609427699 CGZGCOWPACSVNY-KRWDZBQOSA-N 427.529 5.188 30 20 IKED COc1ccc(CCC(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1Br 609463555 IOXINZJNXOHMMY-INIZCTEOSA-N 442.140 5.078 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)cc2)cc1 609503865 APUPZTCQXHDMBA-UHFFFAOYSA-N 449.432 5.621 30 20 IKED N#Cc1ccc([C@@H](Nc2ccc(Oc3cc(Cl)ccc3Cl)c(F)c2)C(N)=O)cc1 609676640 YSBUVDXQUDBVBH-HXUWFJFHSA-N 430.266 5.435 30 20 IKED C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 609844920 SPNROELVDBVBDP-IFMALSPDSA-N 432.568 5.469 30 20 IKED N#Cc1cc(NC(=O)NC(c2cccs2)c2cccs2)ccc1OCC(F)(F)F 610014572 ASWOHPREJFQDDB-UHFFFAOYSA-N 437.468 5.533 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)Cc3c[nH]c4ccc(Cl)cc34)c2)c1 610041486 SNIYTRJGFDNQMY-UHFFFAOYSA-N 428.879 5.126 30 20 IKED COc1cc(C#N)ccc1OCCSCc1coc(-c2ccc(Br)cc2)n1 610137274 NYCWUIJVURZHFP-UHFFFAOYSA-N 445.338 5.297 30 20 IKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@H](C)c1cccc(C#N)c1 610363397 ZDDSSKFAVFVEOJ-CYBMUJFWSA-N 427.335 5.088 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1 613391877 DOEMRZBSIZBGDQ-HSZRJFAPSA-N 435.508 5.751 30 20 IKED COc1cc(-c2noc([C@H]3CCCN3c3ccc(C#N)cc3)n2)cc(Cl)c1OC(C)C 615131390 OALIPWWVWBNVFV-LJQANCHMSA-N 438.915 5.399 30 20 IKED Cc1nc(C(F)(F)F)ccc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 642282238 XFRHRCJAOYEFIO-LLVKDONJSA-N 429.345 5.527 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OCC)cc2)[n+]2ccccc2CC)c1 726572976 SYFRRESNMQIHOI-UHFFFAOYSA-O 429.565 5.240 30 20 IKED C[C@H](NC(=O)CON=Cc1cccc(OCc2ccncc2)c1)c1ccc2ccccc2c1 727435098 PNRHRDZFISUJSQ-FQEVSTJZSA-N 439.515 5.042 30 20 IKED CC(=O)c1ccc(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 728062689 NWKBJPLQQZQIPN-GOSISDBHSA-N 427.504 5.087 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)Nc1ccc(F)cc1Cl 728299011 MUJKOUOPERTQKC-AWEZNQCLSA-N 441.865 5.508 30 20 IKED O=C1/C(=C\c2ccc(-n3cncn3)c(F)c2)CCc2nc(-c3ccc(Cl)cc3)sc21 728438681 LAWIAUQAJYNOBD-DHDCSXOGSA-N 436.899 5.396 30 20 IKED CC(C)(C)c1ccc(-c2nn(CN3CCO[C@H](C#N)C3)c(=S)n2C2CCCCC2)cc1 729987449 ZXSHWDFIUGAODJ-OAQYLSRUSA-N 439.629 5.066 30 20 IKED C=CCn1c(SCc2ccc(OCC#N)cc2)nc2sc3c(c2c1=O)CCCCC3 731159865 YIZWCONAPWPRHK-UHFFFAOYSA-N 437.590 5.108 30 20 IKED O=C(Nc1cccc(/C=C/C(=O)c2c(Cl)nc3sccn23)c1)c1ccc(Cl)cc1 741844722 QLXADOHGMLHEHF-RUDMXATFSA-N 442.327 5.851 30 20 IKED O=C(/C=C/c1cc(Cl)ccc1Br)c1ccc(S(=O)(=O)CC(F)F)cc1 742434602 LLLKZAMFZZNZOK-FPYGCLRLSA-N 449.700 5.037 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc3c(c2)COC3)cs1)c1ccc(F)cc1F 742437355 TWBODVLUHRFWRP-FNORWQNLSA-N 426.444 5.032 30 20 IKED C[C@@H](OC(=O)[C@H]1CCSc2ccccc21)C(=O)Nc1sc2c(c1C#N)CCCCC2 745424333 KKNAVXVILRKKTD-PBHICJAKSA-N 440.590 5.038 30 20 IKED Cc1nn(C(F)F)c(C)c1CC(=O)O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 746437685 NTSPXALDENPYRB-AWEZNQCLSA-N 430.295 5.303 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(N3CCC(O)CC3)cc2)cc1 754881618 GIZHSPCGDGMOLC-UHFFFAOYSA-N 443.572 5.064 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 755757503 WGWDIFBDKGGAHQ-ISJGIBHGSA-N 429.495 5.523 30 20 IKED CC(=NNc1ncnc2scc(-c3ccc(F)cc3)c12)c1ncc(Br)s1 756876399 NSXPRFIYWLHSFK-UHFFFAOYSA-N 448.346 5.553 30 20 IKED C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CCO[C@H](c2cccc(C#N)c2)C1 761760682 LFGZNRGJZCEQKX-DJJJIMSYSA-N 429.307 5.050 30 20 IKED C[C@H](CC(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)Cc1ccc(Cl)cc1 772637141 JZQHEWGCRPJPKN-GUYCJALGSA-N 439.968 5.374 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1oc2ccccc2c1CSc1ccc(F)cc1 780159042 MXUKXILSVSDDAP-INIZCTEOSA-N 446.503 6.407 30 20 IKED CCCOc1ccccc1Oc1ncccc1CNC(=O)Nc1ccccc1O[C@@H](C)C#N 780677847 NXFIPKVKDNHGNJ-SFHVURJKSA-N 446.507 5.275 30 20 IKED CC(=O)N(c1nc(/C=C2/CCOc3cc(F)ccc3C2=O)cs1)c1ccc(F)cc1F 781555673 NPFOWIMLZFYUMY-JYRVWZFOSA-N 444.434 5.294 30 20 IKED CC(C)c1ccccc1-n1c(-c2cccnc2)nn(CN2CCC(CC#N)CC2)c1=S 781570844 DBKKVPUKRBHGAI-UHFFFAOYSA-N 432.597 5.172 30 20 IKED Cc1cc2c(Br)ccc(C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)c2o1 785875368 FEDPRHQPDROCBD-INIZCTEOSA-N 435.277 5.499 30 20 IKED CC[C@H](NC(=O)[C@@H](C#N)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 787047296 VKWPJHAQRSAHJZ-IRXDYDNUSA-N 442.359 5.314 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)[C@H](C)c1cn(C)c2ccccc12)c1ccc(Cl)cc1Cl 787052648 MTGQKVZIYLNZLG-GLJUWKHASA-N 442.346 5.175 30 20 IKED COc1cccc([C@H](C)CCCC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1 789393934 VTQDQPALPZZJNG-DNVCBOLYSA-N 449.576 5.435 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)c1cc2nn[nH]c2cc1F 789780365 GHSBSTYOWNUPMG-UHFFFAOYSA-N 438.328 5.023 30 20 IKED C[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccc(Br)cn1 792955001 SETXSZRDPLCUBX-ZDUSSCGKSA-N 441.354 5.005 30 20 IKED CN(C)Cc1cnc(/C=C/C(=O)c2ccc(-c3ccccc3Br)s2)s1 794700054 OSWWJXHTHXRKDI-JXMROGBWSA-N 433.396 5.592 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2ccnn2Cc2ccc(SC(F)(F)F)cc2)c1 802911675 MARNXPWGRLZNEN-UHFFFAOYSA-N 436.846 5.321 30 20 IKED CN(C)C(=O)Sc1cc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)ccc1Cl 805431604 GVQONTGJUASQEJ-UHFFFAOYSA-N 428.728 5.544 30 20 IKED O=C1/C(=C/c2ccsc2)CN(C(=O)c2ccccc2Cl)C/C1=C\c1ccsc1 915990330 MZJGDHGTZPXGDX-BEQMOXJMSA-N 425.962 5.655 30 20 IKED N#Cc1cccc(COc2cccc(NC(=S)Nc3ccc(OC(F)F)cc3)c2)c1 916000726 OBCXYYIKJXMYDJ-UHFFFAOYSA-N 425.460 5.548 30 20 IKED COc1cc(C=Nn2c(S)nnc2-c2ccccc2C)ccc1OCc1ccc(F)cc1 916342068 TUDSUONWZLNTIL-UHFFFAOYSA-N 448.523 5.151 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Br)cc2Cl)cc1 917119803 XFWWIJLFYSLYSP-LJQANCHMSA-N 425.713 6.010 30 20 IKED CCC(CC)[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccs1 918470579 KIZJZYOVCRPHMO-UPVQGACJSA-N 445.588 5.636 30 20 IKED Cc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(Br)c1 920142626 QYBYGFYBGPBJRO-GFOMBABLSA-N 448.345 5.642 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCCc3nc4ccccc4s3)n2)cc1 920143578 YBJZDLWUISEMOD-SFHVURJKSA-N 442.569 5.881 30 20 IKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccsc4)CCC3)cc2)c(O)n1 1787171726 IFUUXHZYMKATAL-UHFFFAOYSA-N 447.560 5.029 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc4[nH]ncc34)cc2)CCC1 1788443045 OZJJVNAGLKXMRI-HXUWFJFHSA-N 428.536 5.079 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4nccc-4c3)CCC2)cc1 1789625858 BNDIKXDGYSKHMO-UHFFFAOYSA-N 430.552 5.255 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc4sc(C)cc4[nH]3)cc2)CCC1)C(F)(F)F 1790881086 DZTGRTOHFYRZBW-UHFFFAOYSA-N 447.482 5.404 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3c4ccccc4n4ccsc34)CCC2)cc1 1791588221 LBTDFEUKUWQECS-UHFFFAOYSA-N 429.545 5.478 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccccc3NC(=O)OC(C)(C)C)CCC2)cc1 1791593095 FHDGYGPAMZMGGD-UHFFFAOYSA-N 449.551 5.357 30 20 IKED CC[C@H](C)[C@H](C(=O)N1CCCC2(CCN(C(=O)[C@H](S)C(C)C)CC2)C1)c1ccccc1 1809151029 AELDRTHKKYYISA-ACIOBRDBSA-N 444.685 5.002 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2csc(C)c2C)[C@@H]1c1cccnc1 1810494245 CUTSFQZDSTXUBG-RBBKRZOGSA-N 439.625 5.072 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](F)c2ccccc2)[nH]n1 1814440073 ITSAUHJOIOUWMF-FPOVZHCZSA-N 426.536 5.105 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(F)ccc3s2)n[nH]1 1819078917 QELQOWJXPSIAJF-KDOFPFPSSA-N 440.544 5.282 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2onc3ccccc23)CC1 1823753400 MNFXYSXEQUMLDR-JOCHJYFZSA-N 437.584 5.054 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCC3CCC3)CC2)c1 1824354122 AUURDQHNYDBICL-NLFFAJNJSA-N 435.612 5.127 30 20 IKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ccccc23)CC1 1824537331 GAGJHJSANZQPSP-DNQXCXABSA-N 438.637 5.028 30 20 IKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)cc1 1830064186 GPJHSZPOHLBGCN-HSZRJFAPSA-N 449.982 5.067 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1831858074 DOEGSMBRQGLRBX-RUZDIDTESA-N 434.555 5.302 30 20 IKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C)c2Cl)CC1)C(F)(F)F 1832602509 BCAUVDOKDCJTHW-GOSISDBHSA-N 442.909 5.000 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc2c1oc1ccccc12 1847533182 WODYEEYKHVSVJF-GOTSBHOMSA-N 428.532 5.170 30 20 IKED CC(C)OCCCn1c(SCc2ccc(C#N)cc2)nc2cc(Cl)ccc2c1=O 9135883 PCOOXHAPAWVORO-UHFFFAOYSA-N 427.957 5.029 30 20 IKED C=CCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccccc1OC 14082615 KIPHHGNPJRVSRY-UHFFFAOYSA-N 449.363 5.177 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2cc(C)ccc2C)cc1 22729595 ICRXVBNUKDKXPG-UHFFFAOYSA-O 434.541 5.112 30 20 IKED CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)OCc1ccc(-c2ccccc2C#N)cc1 23392762 HUDSDXYVQGCDOY-DEOSSOPVSA-N 448.469 5.001 30 20 IKED Cc1csc(Sc2ccc(/C(O)=N/c3nnc(C(F)(F)F)s3)cc2[N+](=O)[O-])n1 31564639 XFPFWKNVSBMIMU-UHFFFAOYSA-N 447.445 5.018 30 20 IKED Cc1cc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)cc(C)c1OCc1ccccn1 60097806 HKRNVRMPPJSISH-MDZDMXLPSA-N 428.488 5.130 30 20 IKED O=C1[C@H](/C(O)=N/[C@@H](c2ccccc2)C(F)(F)F)CCN1c1ccc(Cl)c(Cl)c1 64310712 CNUXZPINHQZYNT-BBRMVZONSA-N 431.241 5.606 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(I)c(Cl)c2)n1 429585726 SYWNBAICIROBJN-JTQLQIEISA-N 430.698 5.015 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cc1NC(=O)c1ccccc1F 430617848 PKYRBWQVLKYFTB-KRWDZBQOSA-N 435.524 5.631 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCSC4(CCCCC4)C3)c2)c1 431408220 UPZPRGRYGLUJBF-UHFFFAOYSA-N 434.565 5.094 30 20 IKED CCCc1c(NC(=O)Nc2ccc(C#N)cc2Cl)cnn1-c1cc(F)c(OC)cc1F 432260830 YYKVBCYFHRRRSS-UHFFFAOYSA-N 445.857 5.281 30 20 IKED C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccc(Oc2ccccc2)cc1 432492425 YLZCQSCHQNSOGK-LJQANCHMSA-N 427.504 5.337 30 20 IKED COc1ccc(C(=O)CCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1F 434137840 USWYCEQYOGXNQH-UHFFFAOYSA-N 448.469 5.037 30 20 IKED CN(C(=O)c1ccc(Cl)c(NC(=O)C2(c3cccc(C#N)c3)CC2)c1)c1ccccc1 435364186 PUPJCXRJHPCOGR-UHFFFAOYSA-N 429.907 5.159 30 20 IKED CC(C)Oc1ccc(NC(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)cc1C#N 435557333 IOGUBTSECFPOST-UHFFFAOYSA-N 432.499 5.156 30 20 IKED Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 435769887 BPGGOQGWJKEGGW-LBPRGKRZSA-N 440.208 5.861 30 20 IKED CC1(C)[C@H]2OCCC[C@H]2[C@H]1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 437962420 ZVDLTXMOCQKZJT-BWAGFHJFSA-N 439.943 5.116 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C1CC1)[C@@H](C)c1ccc2ccccc2c1 438052290 WYNMBVCXROWEPZ-OALUTQOASA-N 429.589 6.992 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(C(=O)NC3CC3)c2)cc1Cl 439118904 XTNAAZCNFRYZSU-QFIPXVFZSA-N 429.907 5.140 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1ccc2scnc2c1)c1ccc(C(F)(F)F)cc1 442043278 ICXJWMLTBKZDLR-MRXNPFEDSA-N 433.455 5.077 30 20 IKED O=C(Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F)Nc1cc(C(F)(F)F)ccc1F 444830079 SWVPSEXZQYPREZ-UHFFFAOYSA-N 449.326 5.330 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1F)C1CCCC1 447022013 WOEAYGRFACYXGV-KSFYIVLOSA-N 439.556 5.206 30 20 IKED COc1cccc(NCc2nnc(SCc3ccc(C#N)c(C)c3)n2C2CCCCC2)c1 447289179 WDTQCONJEFFERW-UHFFFAOYSA-N 447.608 5.876 30 20 IKED N#Cc1cccc(-c2nnc(N3Cc4ccccc4-c4ccccc4C3)n2C[C@H]2CCCO2)c1 461157518 IWJXSFSGLANREJ-XMMPIXPASA-N 447.542 5.183 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)N[C@@H](c3c(Cl)cccc3Cl)C3CC3)CCO2)c1 462039638 JEPONVGUBIFFTE-TZIWHRDSSA-N 430.335 5.099 30 20 IKED Cc1nc(C(F)(F)F)sc1C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 462592273 LRPRDHNIWXABBJ-UHFFFAOYSA-N 444.307 5.253 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 463989415 IHOGCSXUFCTMEC-UHFFFAOYSA-N 436.874 5.267 30 20 IKED C=CCn1c(SCC(=O)N[C@@H]2CCCc3sccc32)nnc1-c1ccc(Cl)cc1 466272738 MXXAXEHRDJCDSU-QGZVFWFLSA-N 445.013 5.132 30 20 IKED N#CCCCOc1cccnc1NC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 466620997 OSQVBESWZOITQG-QGZVFWFLSA-N 444.919 5.009 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469259990 SKGOMGJHEQFLCU-MRXNPFEDSA-N 448.567 6.014 30 20 IKED Cc1ccc(C(F)(F)F)cc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 470213231 FUPXGUYYQGDODU-UHFFFAOYSA-N 431.311 5.610 30 20 IKED CC(C)CN(Cc1ccccc1F)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470528498 BDAKBBYXBRTJAE-UHFFFAOYSA-N 436.531 5.099 30 20 IKED N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 470754153 HHYJGDOJHQBIDQ-AWEZNQCLSA-N 427.316 5.310 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F 473782509 BHPHAPWQMLOOMB-QUCCMNQESA-N 439.441 5.195 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N2CCCc3c(NC(=O)c4ccc(F)cc4)cccc32)cc1 475121872 ROCNLNLEKJSGBR-UHFFFAOYSA-N 441.506 5.472 30 20 IKED Cc1cc(Sc2ccccc2)ccc1NC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 475245654 KQEXNGUFZNTDML-XMMPIXPASA-N 441.556 5.148 30 20 IKED N#Cc1cccc(-c2nnc(CNC3(c4cccc(C(F)(F)F)c4)CCCCC3)o2)c1 477647973 CRMQCORFEMFFEW-UHFFFAOYSA-N 426.442 5.576 30 20 IKED Cc1sc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2C#N)nc1-c1ccc(Cl)cc1 479205001 DNEOJJLAOBBSEG-ZIAGYGMSSA-N 425.941 5.288 30 20 IKED CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccc(Sc2ccccc2C#N)cc1 479807680 VCFZIHNSZAVISK-UHFFFAOYSA-N 443.572 5.427 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](C)C[C@H]1c1ccco1 480658973 LQFITYDUDXCBCH-UUOWRZLLSA-N 429.520 6.044 30 20 IKED CCN(C(=O)CSc1ccc(C#N)cc1)[C@@H](c1cccnc1)c1csc2ccccc12 480972328 QSYDGZCTGWJZGQ-VWLOTQADSA-N 443.597 5.898 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1-c1cccs1 481391900 RKJXHRZQPWWEAK-GFCCVEGCSA-N 429.958 5.749 30 20 IKED O=C(C[C@@H](c1ccccc1)C(F)(F)F)Nc1ccc(OC(F)F)cc1OC(F)F 482782461 QKSPIUREVVOMQP-LBPRGKRZSA-N 425.300 5.564 30 20 IKED N#Cc1ccc(CN(C(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)C2CC2)cc1 483762744 QJEPYXNRGAATCA-NRFANRHFSA-N 442.332 5.285 30 20 IKED Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Br)nn1-c1cccc(C#N)c1 484799466 RXLQKAWNZNBOHN-UHFFFAOYSA-N 449.230 5.086 30 20 IKED CC(C)(C#N)c1ccccc1CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1 487362404 IZMLVUMLUHEZLQ-UHFFFAOYSA-N 427.548 5.175 30 20 IKED CC(C)CN(C(=O)c1coc(-c2ccc(Br)cc2F)n1)c1ccc(C#N)cc1 488470607 QTEJXLJMZYHKNQ-UHFFFAOYSA-N 442.288 5.418 30 20 IKED C=C(C)Cn1c(S[C@@H](C(=O)N2CCCc3ccccc32)C(C)C)nnc1-c1ccncc1 489457418 CCESCVPAZKKYBQ-JOCHJYFZSA-N 447.608 5.012 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC2(CC1)OCCc1ccsc12 491980114 QACRGZOINQXRGA-MRXNPFEDSA-N 427.595 5.096 30 20 IKED COc1ccc(-c2nc3cc(Br)ccc3n2C2CC2)cc1OCCCC#N 493947336 BZLIHHISVYGCRB-UHFFFAOYSA-N 426.314 5.492 30 20 IKED C=CCN(Cc1ccccc1)C(=O)NCc1cc(-c2c(OC)ccc3ccccc23)no1 498816463 FKUZEDDRYUNOBA-UHFFFAOYSA-N 427.504 5.401 30 20 IKED CN(C)CCOc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 500104029 VQGVQVGQZDNBFA-UHFFFAOYSA-N 431.561 5.043 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 500276456 SDBQQPHEQVXHPL-IBGZPJMESA-N 447.629 5.413 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(-c4ccccc4)nc3O)c2)cc1 501422159 KJDFOLFFBYJEBM-UHFFFAOYSA-N 435.483 5.352 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CN2CCC(c3nc4ccccc4s3)CC2)c1C 501627441 MSRKOKNNPZYADD-UHFFFAOYSA-N 432.593 5.039 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(CN2CC=C(c3ccc(C#N)cc3)CC2)cs1 502543817 KRZABZZSJJHFKL-UHFFFAOYSA-N 432.524 5.128 30 20 IKED Cc1ccccc1CN(Cc1cccnc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 502607013 ZWUORPBXXDYHLO-UHFFFAOYSA-N 448.526 6.288 30 20 IKED Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)n1 503225760 NIKASMLVZUALMU-OAHLLOKOSA-N 436.562 5.003 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ccc(F)c(F)c2)n1)c1nc2ccccc2n1C(F)F 505418650 AQGJKTNQTTVUKD-LLVKDONJSA-N 430.386 5.323 30 20 IKED Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]2c2ccsc2)n(Cc2ccc(F)cc2)c1C 510068040 INLOEGZRZMALOT-JOCHJYFZSA-N 436.556 5.001 30 20 IKED COc1ccc(OCCCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 510874169 ITECWXIOBFHOHT-UHFFFAOYSA-N 431.492 5.258 30 20 IKED CN(Cc1ccc(Cl)s1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511320735 INCOIVLGMYBBQR-UHFFFAOYSA-N 425.941 5.710 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CC[C@@H](C(F)(F)F)C4(CCC4)C3)c2)c1 513508762 ZSMDEKXCPCHSHN-OAQYLSRUSA-N 428.454 5.332 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 515738717 XRDDNTBUVLWMSJ-UHFFFAOYSA-N 433.335 5.224 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 516055101 GVMIXJISIYQAAI-UHFFFAOYSA-N 438.531 5.063 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)cc1 516741351 TYFZFGHRIZOCNR-RPWUZVMVSA-N 439.515 5.132 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)Nc3ccc(Cl)cc3)cc2Cl)cc1 518324582 LJAUHNQAEUCITM-UHFFFAOYSA-N 426.259 5.235 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 518662526 HVVMYEDQBPXHHF-CYBMUJFWSA-N 441.354 5.343 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(NC(=O)C2CC2)cc1 518668939 VLVCIDFVWGPYGG-UHFFFAOYSA-N 433.455 5.312 30 20 IKED CCn1ccnc1[C@@H]1CCCCN1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 519005423 XARXMUDTJCNTIT-QHCPKHFHSA-N 430.552 5.089 30 20 IKED C=C(C)Cn1c(SCc2nc(-c3ccc(C(C)(F)F)cc3)no2)nnc1-c1ccco1 519787539 BPMKDIBRQORNCJ-UHFFFAOYSA-N 443.479 5.568 30 20 IKED Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)CCC2 524152818 WVKSSDNXJRZKQZ-HSZRJFAPSA-N 446.576 5.638 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 525626876 NCYDHMDJYNLWJF-UHFFFAOYSA-N 441.318 5.498 30 20 IKED Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)nn1[C@@H](C)C1CC1 537414391 JVPCWQMHBLRFBO-INIZCTEOSA-N 434.927 5.519 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 539760358 DBJFSYIDNMLXCT-UHFFFAOYSA-N 444.918 5.739 30 20 IKED C[C@H](O)C[C@@H](CNC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccccc1 543006973 INYDMZAHGZWGDB-DYLHXGEVSA-N 427.548 5.140 30 20 IKED C[C@H]1C[C@@H](C)N1CC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccccn1)CC2(C)C 548098208 DIKLAWSYRGLPML-CWNHSUMWSA-N 432.593 5.214 30 20 IKED Cc1cccc(CN(C)C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C 551327068 NEEIDBIGOFWAJY-HSZRJFAPSA-N 445.950 5.209 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)cc1 557727928 MTKKIIXTZVKIHR-UHFFFAOYSA-N 438.487 5.298 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC(C)(C)[C@@H]1c1cccs1 558323789 ULQIVHRRKLFYJX-QHCPKHFHSA-N 431.561 6.122 30 20 IKED Cc1c([C@@H](C)N[C@@H](CCCC#N)c2ccccc2)nnn1-c1cccc(Br)c1 559863758 MECKAIZIFBMCDS-IERDGZPVSA-N 438.373 5.424 30 20 IKED N#Cc1ccc(C[C@H](C#N)c2nc(-c3ncoc3-c3cccc(C(F)(F)F)c3)no2)cc1 564284722 WCBUQUIDJGSSLA-MRXNPFEDSA-N 435.365 5.132 30 20 IKED Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 569009577 AEOIBHLXODZYRZ-OAHLLOKOSA-N 442.294 5.279 30 20 IKED CC1(C(=O)NCc2cccc(-c3ccccn3)c2)CCN(c2ccc(Cl)cc2C#N)CC1 581267512 ALGVKJGAQZKMCB-UHFFFAOYSA-N 444.966 5.197 30 20 IKED C[C@@H](Sc1n[nH]c(/C=C\c2ccccc2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 598953240 NRDUZBOKUXSYHO-WIDZWVOGSA-N 449.605 5.296 30 20 IKED CSc1ccc(Cl)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 603675196 KNEYWOIFAZWDRQ-LJQANCHMSA-N 427.356 6.623 30 20 IKED C[C@H](Oc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cn1)c1ccccc1 603763799 GUIRHTFPAGOURR-SFHVURJKSA-N 436.471 5.533 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)cc1 605914185 AWMLEELIMVXUFW-SFHVURJKSA-N 425.960 5.249 30 20 IKED CCc1c(C)sc(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)c1C#N 609032967 IFUURNKTEBHCFT-UHFFFAOYSA-N 443.528 5.160 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3cn(Cc4ccccc4)c4ccccc34)CC2)c1 609184945 GNYLLZAMKMYIQG-UHFFFAOYSA-N 435.527 5.245 30 20 IKED CN(C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1ccc(C#N)cc1F 609217067 UBSPHXGWVJDCAR-UHFFFAOYSA-N 430.414 5.194 30 20 IKED CC[C@H](Nc1ccccc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 609240798 QXDRQETXNVNCDO-IBGZPJMESA-N 444.482 5.454 30 20 IKED Cc1cccc2c1CC[C@@H]2NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609256391 XHFPYCHAQXDBQC-UPVQGACJSA-N 443.934 5.046 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(Nc2ccccc2)s1 609370919 JJYRGYNODIKIGL-CQSZACIVSA-N 441.607 5.264 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1csc(-c2ccco2)n1 609388743 IGHLAGLUAQZUPP-AWEZNQCLSA-N 429.592 5.527 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](CC1CCCCC1)c1ccccc1 609439812 YZHJIGLFTWWEIV-WMZHIEFXSA-N 449.620 5.847 30 20 IKED CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)s1 609506017 IMZIXQBTKKQSHB-FQEVSTJZSA-N 441.516 5.391 30 20 IKED CCc1c(-c2ccc(Br)cc2)n[nH]c1NC(=O)c1cc2ccccc2n1CC#N 609535068 XKSBOBPWUUZUPO-UHFFFAOYSA-N 448.324 5.132 30 20 IKED COc1cc(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1O 609636553 RPWKKGBDNDJYRI-HXUWFJFHSA-N 435.911 5.074 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 609682761 SLGLZZKNVWVADK-UHFFFAOYSA-N 446.938 5.908 30 20 IKED N#C[C@H](NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1c(Cl)cccc1Cl 609988434 JUKUVJIQHHSABV-INIZCTEOSA-N 439.224 5.193 30 20 IKED C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 610015956 WWRSUGCKHVUYRF-HJPURHCSSA-N 433.914 6.286 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1nc(C2CCCCC2)no1 610629562 MZOBNKGNYIVBET-OAHLLOKOSA-N 432.484 5.059 30 20 IKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)cc1 611149750 MQMSDJQIBXILJX-RUZDIDTESA-N 444.579 5.082 30 20 IKED N#Cc1ccc(N2CCC[C@H]2c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)cc1 614969500 FJGHOURLCDUMGO-VWLOTQADSA-N 446.514 5.348 30 20 IKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccccc1Oc1ccc(OCC)cc1 616847211 SYVFMBXFXUNDRP-UHFFFAOYSA-N 436.533 5.092 30 20 IKED C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(OC(F)F)cc1 618554657 WYEDFGFUTASURQ-ZMLRMANQSA-N 434.327 5.121 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1 619342833 QXUNQZBBDCZOQJ-FQEVSTJZSA-N 444.535 5.054 30 20 IKED CC(C)(NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)on1 622615451 RFKUPJWYCSPFQL-UHFFFAOYSA-N 434.258 5.396 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2ccc(F)cc2F)CCC1 679003867 YLTOHMQHIQGJET-GHMZBOCLSA-N 429.351 5.412 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2nnc(-c3cc4ccccc4o3)o2)cc1 726141332 BQWOWIMQMVINAR-JOCHJYFZSA-N 448.482 5.710 30 20 IKED N#CCOc1ccc(CNC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)cc1 727677640 MBCZXTXJHUTELC-UHFFFAOYSA-N 427.479 5.125 30 20 IKED C=CCc1cc(C(=O)Nc2cccc(CC[C@@H](O)c3ccccc3)c2)cc(OC)c1OC 727761770 CZOXQPMHAFTKEA-XMMPIXPASA-N 431.532 5.351 30 20 IKED COc1ccccc1SC[C@H](C)CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 729035997 KRZJJZSXJQIPHC-XXBNENTESA-N 445.588 5.901 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNCCCc2ccccc2)cs1 729145956 IFOFVGGWMVCYHL-UHFFFAOYSA-N 446.498 5.403 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 731332869 UIOJASSXAMPKRW-OJYSUCSVSA-N 433.415 5.753 30 20 IKED C[C@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1nc2ccc(Cl)cc2[nH]1 732549175 ZQFOKTHIDVQHEK-HNNXBMFYSA-N 430.895 5.158 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccc(Cl)c(Cl)c1O 733080365 LERYEKLNIQVMFP-UHFFFAOYSA-N 442.228 5.406 30 20 IKED C#CCN(C(=S)Nc1ccccc1CC)[C@H]1CCOc2ccc(Br)cc21 733087065 NPIAVAPGFSDORN-IBGZPJMESA-N 429.383 5.167 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(COc3ccc(C)cc3C)o2)ccc1OC 733231938 LANGZXWSJLGNCC-FQEVSTJZSA-N 448.519 5.095 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCOc3c(Cl)cccc3C2=O)cs1 733748559 CEBMDJRNWPORRU-VBKFSLOCSA-N 438.936 5.838 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)c1 734101955 UONFZOJXSHAAJL-UHFFFAOYSA-N 435.527 5.638 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(OCc4cccnc4)cc3)c2)cc1 734321790 XPOYLLFQSIQWFU-UHFFFAOYSA-N 435.483 5.364 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1 739022564 JQBQAQFFEWBDGE-RBBKRZOGSA-N 445.485 5.823 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)N[C@@H]1CCOc2ccccc21 741492839 TVIWBBMVPWGDCQ-JOCHJYFZSA-N 431.536 5.411 30 20 IKED Cc1nnc(-c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)o1 743477224 LEPCZWSHRKUOMF-UHFFFAOYSA-N 426.501 5.461 30 20 IKED N#Cc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)ccc1N1CCC(O)CC1 743733532 SKIXJCILGYTVLL-UHFFFAOYSA-N 449.913 5.231 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 745261221 OKSUQEYJOIHGFY-UHFFFAOYSA-N 440.551 5.153 30 20 IKED C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(c2nc(C(C)(C)C)cs2)CC1 750060019 AKRPFJLBHCUJBA-KRWDZBQOSA-N 442.604 5.094 30 20 IKED COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)OC[C@H](C#N)Cc1ccccc1 750787908 UDHXCLJPSGWJLQ-INIZCTEOSA-N 444.915 5.235 30 20 IKED C=CCOc1c(Br)cc(C=NOc2ccccc2C(F)(F)F)cc1OC 754709675 MTUBIJHLDPJCDA-UHFFFAOYSA-N 430.220 5.454 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2cc(C)ccc2F)cs1 759664674 LCPVFSDYKBORAH-UHFFFAOYSA-N 436.434 5.740 30 20 IKED Cc1cc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)cnc1Cl 760225594 FFMDWJOTSIDEPM-UHFFFAOYSA-N 429.332 5.326 30 20 IKED N#Cc1cc(NC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)c(Cl)c([N+](=O)[O-])c1 764301427 JKYHFTOOZVUPRZ-GHXNOFRVSA-N 430.169 5.358 30 20 IKED C[C@](O)(CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1Cl 765145996 ILEBMNMASMYXAK-VWLOTQADSA-N 449.938 5.014 30 20 IKED Cc1sc2nc([C@H](C)OC(=O)c3cn(CCCC#N)c4ccccc34)nc(O)c2c1C 769546653 PRXGHLKOJDPQFO-AWEZNQCLSA-N 434.521 5.190 30 20 IKED C[C@@H]1C[C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCN1C(=O)OC(C)(C)C 772231367 QDKQRNUCGFGQJD-YFXJRYMSSA-N 448.567 5.252 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)OC[C@H](C#N)Cc1cccs1 772737458 QJYPSZTYVQBNMP-AWEZNQCLSA-N 428.510 5.049 30 20 IKED CCN(CC)C(=O)c1ccccc1NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 774036960 BNHPPDYPYDZOCG-UHFFFAOYSA-N 426.520 5.029 30 20 IKED C[C@H](ON=C(N)c1ccc(NC(C)(C)C)cn1)c1nnc(-c2ccc(Cl)cc2Cl)o1 774779005 XBYZPPOEVZKYSN-NSHDSACASA-N 449.342 5.047 30 20 IKED C#CCOc1ccccc1NC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 776092893 CDALAYSTYBHJOU-UHFFFAOYSA-N 433.335 5.219 30 20 IKED N#CC1(c2ccc(COC(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)cc2)CC1 777143249 ZJCWXJSHUWXVCN-UHFFFAOYSA-N 436.920 5.566 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1 778297878 LXWCODSFXORJJO-NJSLBKSFSA-N 448.489 5.027 30 20 IKED N#CCC1CCN(C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)c2cccs2)CC1 782054612 IVVXZKPKAKSUPD-PLRJNAJWSA-N 442.584 6.020 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](c2cccc(C(F)(F)F)c2)C1 784488259 WLSSJZYCKSIHEN-WMZOPIPTSA-N 447.526 5.528 30 20 IKED N#C[C@@H](C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)C(=O)NCc1cccc(Cl)c1 786547882 YJVTWTDODQHSGD-OUOZUETKSA-N 441.236 5.051 30 20 IKED Cc1nc(-c2ccccc2)sc1C(=O)/C=C/c1cn(CCC#N)nc1-c1ccncc1 788356699 VILWEYUVUUCWFF-CMDGGOBGSA-N 425.517 5.187 30 20 IKED Cc1nc2cc(F)c(F)cc2n1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 796632105 BPPJOPQJKRGTJR-CQSZACIVSA-N 442.878 5.276 30 20 IKED N#C[C@H](C(=O)CO[C@@H]1CCCc2ccccc21)C(=O)Nc1ccccc1Oc1ccccc1 797548234 DJPMUGQPNGAUIU-RCZVLFRGSA-N 440.499 5.220 30 20 IKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)OCCCC3(C#N)CCOCC3)o2)cc1 800102504 CSZKBKAKTRXPPZ-UHFFFAOYSA-N 430.504 5.574 30 20 IKED CC(C)c1nn(C)c(Cl)c1C=NNc1c(Br)cccc1Br 800818741 MPTVUMXKMOLBKT-UHFFFAOYSA-N 434.563 5.168 30 20 IKED CC[C@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2cccc3cccnc23)cc1)c1ccccc1 802799878 MNEFDPTXJJGZEY-DQEYMECFSA-N 433.511 5.492 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ccc(N2CCSCC2)c(Cl)c1)c1ccccc1 814627232 XDGPGWCJYXTMFG-FQEVSTJZSA-N 428.989 5.450 30 20 IKED C=CCN1C(=O)c2ccccc2N[C@H]1c1cc(Br)c([C@H](C)OCOC)cc1F 877843214 JQDQZSYSBAFQJJ-RNODOKPDSA-N 449.320 5.022 30 20 IKED C[C@@H](OC(=O)c1sc2cccc(Cl)c2c1Cl)C(=O)NC1(C#N)CCCCC1 913328466 PMSNNFYPAWDBFB-LLVKDONJSA-N 425.337 5.096 30 20 IKED O=C1CCc2cc(C(=O)/C=C/c3cccc(NC(=O)c4ccccc4Cl)c3)ccc2N1 915993361 OFJQRCTYPPGIAE-XYOKQWHBSA-N 430.891 5.373 30 20 IKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccco2)c1 916207776 LBXQAAOWBMCCQG-NRFANRHFSA-N 433.533 5.057 30 20 IKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(OC(F)F)cc1 916210486 GQYLDITVMFLRPW-GOSISDBHSA-N 447.507 5.048 30 20 IKED N#C[C@@H](C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1ccc2ccccc2n1 916848520 LFYALJRPAZELLQ-WIYYLYMNSA-N 438.314 5.023 30 20 IKED C[C@H](Sc1ccccc1Cl)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916885946 APBMUDNGQZKFNZ-SMDDNHRTSA-N 440.924 5.483 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cn(Cc2ccccc2)c2ccccc12 916908819 JQMDKYYBHODVGM-IBGZPJMESA-N 427.891 5.304 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(NC(=O)c3cccs3)c2)cc1 916956072 XOYRQBHZVZFCJS-IIBYNOLFSA-N 445.544 5.475 30 20 IKED N#C[C@H](C(=O)c1cccc(N2CCOC2=O)c1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 917031987 DQFDCQZYHSVSND-XVPJOVGPSA-N 447.560 5.058 30 20 IKED N#C[C@@H](C(=O)/C=C/c1nc2ccccc2s1)c1nc2cc(C(F)(F)F)ccc2s1 917042933 JDMFTEFCXIOKFB-WMADIVHISA-N 429.448 5.814 30 20 IKED COc1cc(/C=C2\CSc3ccccc3C2=O)cc(Br)c1OC(F)F 917146122 YFTADVRPDDFDJM-IZZDOVSWSA-N 427.266 5.431 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(Br)cc2)cs1 917558610 ZNRCDHVSZVJRPV-FMIVXFBMSA-N 441.350 5.795 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C 920109893 VGYRNVGGQWGLAG-QHCPKHFHSA-N 447.966 5.834 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCCOc1ccc(C#N)cc1 920672807 JXYWBBGIYVYLOC-HNNXBMFYSA-N 442.924 5.111 30 20 IKED COc1ccc2c(c1)CCC[C@H]2CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806107 UTWGAISRBLLZSV-YJBOKZPZSA-N 438.499 5.783 30 20 IKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc(C#N)cc4)cc3)CCC2)c(C)o1 1785795921 IIDKSCUDMDMGDW-UHFFFAOYSA-N 441.531 5.149 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CCc3cccnc3C)cc2)CCC1 1786743032 IVGZXPGZIPLTQZ-UHFFFAOYSA-N 431.580 5.225 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C)cn3)cc2)CCC1 1786867364 ZAIHBHMDISHUOD-XMMPIXPASA-N 431.580 5.225 30 20 IKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4ccoc4s3)cc2)CCC1 1788413578 XAVMXZGUXCJMSP-SFHVURJKSA-N 428.579 5.196 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc5c(C)snc5s4)cc3)CCC2)C1 1788416879 JSDSREXHTHPYAS-UHFFFAOYSA-N 437.590 5.380 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3c(F)cccc3Cl)cc2)CCC1 1790224838 BMVLZMLOIDJBSX-UHFFFAOYSA-N 432.948 5.146 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc(F)c(OCC)c(Cl)c3)CCC2)cc1 1791593641 ZROUYNDGHARQBQ-UHFFFAOYSA-N 430.907 5.202 30 20 IKED CC[C@H](C)[C@@H](C(=O)N1CCCC2(CCN(C(=O)[C@H](S)C(C)C)CC2)C1)c1ccccc1 1809151034 AELDRTHKKYYISA-MDNUFGMLSA-N 444.685 5.002 30 20 IKED CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)CC1 1820551272 MDRRPINJZPCEJI-JMUQELJHSA-N 447.583 5.194 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)n[nH]1 1822015162 SNLIMLFLCCKEKB-HDAAZOAOSA-N 426.605 5.221 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)C1 1823700151 HFZKWXLZYSXDBW-RBZQAINGSA-N 441.015 5.029 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCC(F)(F)CC2)CC1 1823751325 RSMPLGVENWLUBK-NRFANRHFSA-N 438.603 5.424 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C(C)(C)C)oc3C)CC2)C1 1825947862 VBJKLCOQYJDCGC-QFIPXVFZSA-N 426.601 5.085 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nccc3occc23)CC1 1827302777 CNUIBLVCDUFNRY-NRFANRHFSA-N 437.584 5.054 30 20 IKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)Sc2cccs2)CC1 1828779306 ONSHLRUJADSUGM-FPOVZHCZSA-N 446.682 5.042 30 20 IKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC2CCC(C)(C)CC2)CC1)C(F)(F)F 1831453263 NVLHHFJAUOUSMX-HXUWFJFHSA-N 442.566 5.331 30 20 IKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 1832830293 QSFMWXLPOYBBLN-AREMUKBSSA-N 428.576 5.000 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)C1 1841417049 UWZBRIHKQWDLPW-YADHBBJMSA-N 429.004 5.051 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2cccc(C)c2C)cc1 10168123 ZVFFMGJHYNCROA-UHFFFAOYSA-O 431.625 6.328 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2ccc(C)c(F)c2)cc1 14872434 VGOAKGFHKFBUFI-UHFFFAOYSA-O 441.979 6.078 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1-c1ccc(Cl)cc1 17708517 KEFIBQQONDNTPE-HNNXBMFYSA-N 437.956 5.996 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 18775555 QQIBDNALBMDSFM-UHFFFAOYSA-N 440.377 5.412 30 20 IKED Cc1nc(S[C@@H](C)C(=O)Nc2ccccc2C#N)c2cc(-c3ccccc3)sc2n1 20993503 RZPUPUNYYNPWPS-AWEZNQCLSA-N 430.558 5.658 30 20 IKED C=CCNc1nnc(S[C@H](C)C(=O)N2c3ccccc3Sc3ccccc32)s1 22346014 BMTRKPGEUFJVPZ-CYBMUJFWSA-N 426.592 5.446 30 20 IKED Cc1cc(C)cc(N/C(S)=C(\C(=O)c2ccc(C)s2)[n+]2ccc(C(C)(C)C)cc2)c1 22730236 JJVCLCYWYGDSJN-UHFFFAOYSA-O 437.654 6.309 30 20 IKED C=CCn1c(SCc2nnc(C)o2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 23484368 IAEMWGNWXCQUDV-HNNXBMFYSA-N 429.615 5.327 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1ccc(Br)s1 26720978 IGARRNTWGAFVOL-UHFFFAOYSA-N 443.391 5.506 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2cccc(Cl)c2C)c1 28779327 AOGYKFDCIFSTCT-UHFFFAOYSA-O 440.932 5.203 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 57739133 BERVTXIXONRMKX-UHFFFAOYSA-N 426.457 5.509 30 20 IKED Cc1cccc(Oc2ccc(Cl)cc2NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c1 60952191 YREWDZLFQQSQHZ-UHFFFAOYSA-N 435.911 5.189 30 20 IKED CCOc1ccc(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 147225037 MVQQZCJXWPXJGE-NRFANRHFSA-N 426.925 5.195 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 261451506 PRNBWEXXSCBUQF-UHFFFAOYSA-N 446.919 5.343 30 20 IKED C=CCn1c(Sc2cc(C)c(C#N)c3nc4ccccc4n23)nnc1-c1ccoc1C 301096064 ZJUPMXZXVGMXHW-UHFFFAOYSA-N 426.505 5.165 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCCC[C@@H]1c1cc2ccccc2[nH]1 303424222 ZENOEJHGKYEUPV-FDDCHVKYSA-N 432.593 5.585 30 20 IKED Cc1c(-c2nc(CC(=O)Nc3cc(Cl)ccc3Cl)no2)sc2ccc(C#N)cc12 426527138 VPISDIDECDMDSC-UHFFFAOYSA-N 443.315 5.619 30 20 IKED N#CCSc1ccccc1NC(=O)COc1cc(Cl)c(Br)cc1Cl 428239016 MUOXLIIDRLMTHQ-UHFFFAOYSA-N 446.153 5.389 30 20 IKED N#CCCC[C@H](c1ccccc1)N1C(=O)[C@@H](c2ccc(Cl)cc2Cl)N(C2CC2)C1=O 432029076 AKGVKKVPUNTJLL-NHCUHLMSSA-N 442.346 5.896 30 20 IKED C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 434208673 UCFLOVZDFAJXLN-NIYFSFCBSA-N 441.531 5.188 30 20 IKED C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 435102740 JHXNOVZOJMIMEG-NBGIEHNGSA-N 425.532 5.742 30 20 IKED Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)c2cn(CCCC#N)c3ccccc23)cn1 435266530 KFUZJMXRPOJUGN-UHFFFAOYSA-N 445.954 5.175 30 20 IKED C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1=O 437481540 BCTGUFUXSKOBJQ-YLJYHZDGSA-N 443.478 5.038 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCOC[C@@H]3c3ccccc3)cc2Cl)cc1 437892681 SVOMOCOMAOPOJV-JOCHJYFZSA-N 433.895 5.609 30 20 IKED C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 439365362 NMFDFBMUPLLKPH-SDUPLXIBSA-N 447.579 5.125 30 20 IKED Cc1cc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)ccc1OC(C)C 441548933 VSEZSRLALJIUIJ-UHFFFAOYSA-N 447.466 5.163 30 20 IKED COc1cc(C(C)=O)ccc1SCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 441935293 VFPMENMGQDPNMZ-CYBMUJFWSA-N 428.579 5.077 30 20 IKED COc1ccc(Oc2ccc(NC(=O)c3cn(CCCC#N)c4ccccc34)cn2)cc1 444256049 HPQDNGSFTDQVGJ-UHFFFAOYSA-N 426.476 5.393 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(C(=O)Nc3ccc(CC#N)cc3)C2)n1 446110753 BFAUALRWSIZNBF-SFHVURJKSA-N 432.549 5.296 30 20 IKED CC(=O)c1cc(F)c(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c(F)c1F 461083406 FXMXSPYLBSWUCL-UHFFFAOYSA-N 444.796 5.876 30 20 IKED N#C[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1cccc(Cl)c1Cl 462375995 OVGBVHVWOSZLQE-NJAPINKUSA-N 427.690 5.245 30 20 IKED N#Cc1c(NC(=O)c2c(Cl)cccc2I)sc2c1CCCC2 463644458 RRCSMNLZYDGNSG-UHFFFAOYSA-N 442.709 5.009 30 20 IKED N#Cc1cc(NC(=O)c2ncoc2[C@H]2CCCO2)ccc1Oc1ccc(C(F)(F)F)cc1 464273625 COCUQPXAHSSZIJ-GOSISDBHSA-N 443.381 5.461 30 20 IKED C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 464415432 WUNHLNXDVIZOBQ-UHFFFAOYSA-N 436.895 5.418 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1cc(C(F)(F)F)ccn1 464475063 UFIQMKOMHGLYIK-CQSZACIVSA-N 430.407 5.090 30 20 IKED COc1cc(OC)c([C@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1Cl 469144425 BYUTYQVUFAEEIR-HNNXBMFYSA-N 427.932 5.113 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 469291239 UONPRCZYKZLWEZ-AWEZNQCLSA-N 426.929 5.356 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(O[C@H]2CCOC2)cc1 469324468 DCJKMXOGWPRRLD-KRWDZBQOSA-N 436.455 5.131 30 20 IKED COc1ccc2c(c1)CN(C(=O)Nc1ncccc1OCCCC#N)[C@H](c1ccccc1)C2 470504963 PINMLHZMAAQKTN-QHCPKHFHSA-N 442.519 5.104 30 20 IKED N#CCCCn1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)c2ccccc21 473394814 KKZXZSHTIZNKOC-UHFFFAOYSA-N 439.903 5.508 30 20 IKED C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 473549245 JMNFKKIBLRZSHT-MKTHODDLSA-N 436.508 5.060 30 20 IKED Cn1cc(-c2cc(F)ccc2NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cn1 477665823 QWOHTDCWQPBGPN-UHFFFAOYSA-N 426.451 5.337 30 20 IKED C=C(C)Cn1c(SCC(=O)N2CCC[C@@H](c3ccccc3)CC2)nnc1-c1ccco1 481507740 LTMROUQXJYQTSV-HXUWFJFHSA-N 436.581 5.003 30 20 IKED C=CCN(C(=O)c1cnn(-c2ccccc2C)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 481961842 NETOOGIYDCPYKF-UHFFFAOYSA-N 445.504 5.045 30 20 IKED CN(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@@H](c1ccncc1)c1ccc(Cl)cc1 483582256 KKQPFBHFJNLWBZ-HXUWFJFHSA-N 444.844 5.879 30 20 IKED C[C@@H](Sc1nnc(-c2ccc3ccccc3c2)o1)C(=O)Nc1sc2c(c1C#N)CCC2 488710678 GDPIGVWGPBOHGT-CYBMUJFWSA-N 446.557 5.431 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(CCC2CCCCC2)o1 488845816 ZMTVQQBAZQDQBL-MRXNPFEDSA-N 444.626 5.708 30 20 IKED C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 498096686 ZRRRSHUXRUNXKE-NSHDSACASA-N 446.853 5.910 30 20 IKED Cc1ccc(N(CCC#N)S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 499099295 GKEAABMSEOYFGE-UHFFFAOYSA-N 436.377 5.142 30 20 IKED C=CCn1c(SCc2nc(-c3cccc(Cl)c3)no2)nnc1-c1ccccc1F 501103502 DUHKOXYAXSEDAB-UHFFFAOYSA-N 427.892 5.266 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)NCC1(c2ccc(C(C)(C)C)cc2)CCCC1 501303640 RAKOGKAPVLKBBL-UHFFFAOYSA-N 434.628 5.272 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)COc3ccccc3C(F)(F)F)c2)cc1 501480515 OYMNVDFXKDNVLX-UHFFFAOYSA-N 440.421 5.368 30 20 IKED COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Sc1nc2c(c(-c3ccco3)c1C#N)CCC2 501540572 YWPYROYXGBEYNE-JKSUJKDBSA-N 447.560 5.069 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 504136743 QTGZBIOJIHAPPH-UHFFFAOYSA-N 430.533 5.550 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2SCc2cscn2)cc1 508149950 TZXVHLPXDCFWTG-UHFFFAOYSA-N 449.601 5.502 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccnc(N3CCCC3)c2)cc1Cl 510024624 UZSMQMHMCSDSEO-JOCHJYFZSA-N 445.954 5.312 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3ccc(-c4cccc5cccnc45)cc3)CC2)c1 511199124 IPHFUDXLZALRQP-UHFFFAOYSA-N 433.511 5.457 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)c1sccc1Br 511726592 JPBNJLCHZUZGKA-UHFFFAOYSA-N 449.351 5.284 30 20 IKED CCOc1ccccc1[C@@H](CC)NC(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N 512833665 LUZJAFROEQNIOS-QGZVFWFLSA-N 437.487 5.039 30 20 IKED CC(C)C(=O)Nc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 513950117 LXNYIJDPORGTDK-UHFFFAOYSA-N 444.510 5.526 30 20 IKED CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1sc2c(c1C#N)CCCCCC2 515676653 QJIGINYFHYPDOM-UHFFFAOYSA-N 438.578 5.611 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 515773450 NZFXCSVJTGRADG-UHFFFAOYSA-N 428.382 5.118 30 20 IKED CC(C)c1ccc(OC2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)cc1 518683203 MBPIMWARZCGZCG-LJQANCHMSA-N 437.609 6.137 30 20 IKED C[C@@H](C#N)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 521602928 JPPPPYZLJKKEAV-WFVLPUPGSA-N 440.503 5.252 30 20 IKED Cc1ccc(-c2nnc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)s2)c(C)c1 521955198 WCBFKROXZIUDOY-UHFFFAOYSA-N 427.489 5.133 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1 522666139 OAFVZJKEOWXZNG-UHFFFAOYSA-N 437.546 5.002 30 20 IKED CC[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(OC)cc1 523535031 JAONMRBLGZVAIE-VWLOTQADSA-N 431.511 5.569 30 20 IKED Cc1ccc(-c2nnc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)s2)c(C)c1 524379464 FZOKMFWXAFMNLM-UHFFFAOYSA-N 430.489 5.118 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1NC(=O)Nc1ccccc1 524635756 LYMFOXIBGYYBOH-GOSISDBHSA-N 444.560 6.286 30 20 IKED CCCn1nc(C)c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1C 532110436 WKCRPCNZLFNLBP-UHFFFAOYSA-N 447.486 5.100 30 20 IKED Cn1cc(Nc2cccc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c2)cn1 532642101 QVZJRXXFXULSQO-UHFFFAOYSA-N 437.503 5.061 30 20 IKED CC[C@@H](C)n1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1C1CC1 534073409 RXFBOEQPJZMZJC-MRXNPFEDSA-N 432.499 5.574 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1Cl 536435261 ANLVYMMRBPBFLC-DENIHFKCSA-N 435.955 5.093 30 20 IKED Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)nn1[C@H](C)C1CC1 537414392 JVPCWQMHBLRFBO-MRXNPFEDSA-N 434.927 5.519 30 20 IKED COc1cc([C@@H](C#N)NC(=O)c2ccc(-c3cccc(C(C)C)c3)o2)cc(OC)c1OC 538432568 SNDRMRWXVFHYOB-LJQANCHMSA-N 434.492 5.090 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 538508263 FCFZLYBHBLUYGD-QWHCGFSZSA-N 444.373 6.304 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N(c2cccc(F)c2)C2CCOCC2)cc1 539620469 ABDJPKVXTWZBLT-UHFFFAOYSA-N 434.442 5.455 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 540863724 KFCPMOQDBNLELV-PKOBYXMFSA-N 446.580 5.135 30 20 IKED CCN(Cc1cccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1)C(C)=O 541065016 AWVXPCALGVOPKW-IBGZPJMESA-N 440.547 5.476 30 20 IKED Cn1cnc(-c2ccc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)cc2)n1 541529444 DIRBCFFFACTZLX-UHFFFAOYSA-N 429.867 5.052 30 20 IKED C[C@H](NC(=O)NCc1ccccc1-c1cnn(C)c1)c1ccc(-c2cccc(C#N)c2)cc1 543907777 ZICVWLMIOLFMAF-IBGZPJMESA-N 435.531 5.186 30 20 IKED CCN(Cc1ccccc1Br)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 546669763 MHJXRFNKVFRVSU-UHFFFAOYSA-N 436.309 5.170 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 548432352 GFYNJJDCRMJZTG-SFHVURJKSA-N 445.544 5.242 30 20 IKED CNC(=O)c1cc(Oc2cccc(NC(=O)c3ccccc3-c3ccccc3C#N)c2)ccn1 553444645 PEZCXTDYRLNCGP-UHFFFAOYSA-N 448.482 5.024 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)cc1 554437942 UJDVTWYUOXOLGJ-GVAUOCQISA-N 429.564 5.301 30 20 IKED Cc1cc(C(=O)N2CCC(CC#N)CC2)ccc1N[C@@H](C)c1cc(Cl)ccc1Cl 554636908 LJCQKGCNPZPKIU-INIZCTEOSA-N 430.379 6.241 30 20 IKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 555007333 DEPORPBMMWKJRG-HNNXBMFYSA-N 429.505 5.580 30 20 IKED CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)c2cccs2)cc1 559482131 MWPPMBWPLPCKIA-XFAGBWLFSA-N 445.588 5.216 30 20 IKED O=C(Nc1cc(-c2ccc(OC(F)F)cc2)no1)c1c(F)cc(C(F)(F)F)cc1F 565336843 XJBBGLILWFZNNC-UHFFFAOYSA-N 434.267 5.492 30 20 IKED C=CCn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 580743062 QACDKIQDJUMXLD-RBZQAINGSA-N 430.552 5.059 30 20 IKED Cc1sc(C2(NCCC(=O)Nc3sccc3C#N)CCC2)nc1-c1ccccc1F 581502282 IDXUNERZDXLOCR-UHFFFAOYSA-N 440.569 5.188 30 20 IKED COc1ccc(Cl)cc1NC(=O)[C@@H](C)SCc1ccc(C#N)cc1OC(F)F 583587614 UIVGNKKFWUNTLY-LLVKDONJSA-N 426.872 5.082 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1)c1ccccc1 590104556 ICKWDIOJCSUPAN-HXUWFJFHSA-N 426.492 5.569 30 20 IKED Cc1ccccc1-c1cc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)c2cnn(C(C)C)c2n1 590639244 ASCWMYYXVMRLRD-QHCPKHFHSA-N 427.483 5.121 30 20 IKED CCCc1nc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)nn1-c1ccccc1Cl 592974354 RBJAQUKOZFQNHQ-CYBMUJFWSA-N 439.903 5.112 30 20 IKED CC(C)Oc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)cs2)cc1 592974603 VEHKOWKBETWMNA-INIZCTEOSA-N 437.521 5.836 30 20 IKED N#Cc1c(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)sc2c1CCCCC2 602786428 SYOPVELWIOPXSR-MRXNPFEDSA-N 441.984 5.033 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cnn1-c1ccc(Cl)cc1 603623247 PFDTXBJYSIMSFU-UHFFFAOYSA-N 429.867 5.145 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1 603806980 ISPIGCDFGMLUGL-UHFFFAOYSA-N 438.575 5.163 30 20 IKED CCOc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1[N+](=O)[O-] 603846327 PAGJZBGFHFJJBA-GFCCVEGCSA-N 435.383 5.112 30 20 IKED Cc1cccc(NC(=O)CSCC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1 603991550 MDGPQLHRWQNQHF-UHFFFAOYSA-N 447.585 5.004 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CC2CCC2)[C@@H](C)c2ccccc2)cc1 607201980 IAPKDRBGNPFUJG-NRFANRHFSA-N 431.580 5.896 30 20 IKED N#C[C@H](C(=O)c1ccc(F)c(Br)c1)c1nc2cc(C(F)(F)F)ccc2s1 608552840 DKXOIRIKLVTTIK-SNVBAGLBSA-N 443.219 5.707 30 20 IKED COc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c(Br)c1 608900142 IVKUAWGNNSRMKM-UHFFFAOYSA-N 437.293 5.161 30 20 IKED C/C=C/c1ccc(OCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(OC)c1 609061752 HJJOXFHXNAVFRC-GQCTYLIASA-N 442.515 5.505 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)c3nccs3)cn2)c1 609147628 WRLAJZZJTLGNDZ-OAQYLSRUSA-N 427.489 5.113 30 20 IKED N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)cc1 609182535 SWJKCHHDTCQXLK-JOCHJYFZSA-N 444.984 5.079 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)N[C@@H](CCc3ccccc3)c3ccccc3)CC2)c1 609211485 JKZXOMILKWQPOR-MHZLTWQESA-N 439.559 5.485 30 20 IKED Cc1nc(-c2ccc(NC(=O)NC3CCC(Oc4ccccc4C#N)CC3)cc2)cs1 609552516 HUUURCRHHFQJOG-UHFFFAOYSA-N 432.549 5.502 30 20 IKED N#Cc1ccccc1OC1CCC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 609600591 KIVRNHBSSDLXSW-UHFFFAOYSA-N 434.521 5.070 30 20 IKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 609641433 ZVPFXROOZGWVHY-KRWDZBQOSA-N 427.529 5.580 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCO[C@@H](c3cccc(F)c3)C2)c1 609731361 JQNYVSYEBXURBG-HSZRJFAPSA-N 436.870 5.357 30 20 IKED C[C@H](NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1 610357856 VIWONPIWWTVMAP-SAWYMBPVSA-N 444.501 5.020 30 20 IKED N#Cc1cc(Cl)c(C(=O)N[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c(Cl)c1 613550789 LSOXLPDPNBLKQY-MRXNPFEDSA-N 446.334 5.935 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1NC(=O)c1ccco1 642281770 QCZFKIYUUCCQNR-GOSISDBHSA-N 427.485 5.454 30 20 IKED CC[C@H](CNC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)Oc1ccccc1F 674029693 QZIDWROBXQFNAW-SGMGOOAPSA-N 444.391 5.192 30 20 IKED CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674434730 ZAJAJXDIQWEREQ-TYNCELHUSA-N 444.391 5.001 30 20 IKED Cc1cc(NC(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)ccc1OCC(F)(F)F 674568382 IAUCNCKOSFCLLV-GHMZBOCLSA-N 438.290 5.141 30 20 IKED CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 682421241 FKUGEWMIGBRPLB-KBPBESRZSA-N 449.357 5.863 30 20 IKED N#CCOc1ccc(CNC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CCC3)cc1 727677914 YCFCOPZCXFAIJP-LVZFUZTISA-N 449.510 5.537 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 728181555 OEVSAZRXIRSNAZ-UHFFFAOYSA-N 445.544 5.087 30 20 IKED N#C[C@H](C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 728766079 WZTFDKXMXVAAPD-ZIAGYGMSSA-N 442.384 6.228 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3ccc(N4CCSCC4)cc3)c2)cc1 729570075 FBFQNUJRRGIIBR-UHFFFAOYSA-N 444.560 5.225 30 20 IKED CCc1ccc(-c2nn(Cc3ccccc3)cc2CNCc2ccc(OCC#N)cc2)cc1 729685393 QCLGGHRWIBKTIE-UHFFFAOYSA-N 436.559 5.353 30 20 IKED Cc1cc(CSc2ccccc2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)on1 731331429 FMIFWACBJVIRGV-UHFFFAOYSA-N 441.512 6.192 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 731542089 SXORUNSMWYNKJL-ZHRRBRCNSA-N 444.000 5.712 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccc(Oc2cccc(Br)c2)cc1 732900507 QJBCPYDNTWXOJT-FQEVSTJZSA-N 435.277 5.203 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccccc2OCc2ccccc2C)ccc1OC 733232148 OCBDPHICWGZTTE-QFIPXVFZSA-N 444.531 5.194 30 20 IKED CC[C@H](Cc1ccc(Cl)cc1)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 734963611 KQUWXAGXLCULPD-ISKFKSNPSA-N 445.950 5.071 30 20 IKED CCn1c(SCc2cc(Cl)ccc2OCC#N)nc2cc3ccccc3cc2c1=O 735230801 QZPXUBVGHOQKSI-UHFFFAOYSA-N 435.936 5.418 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)NC[C@@H](O)c3ccc(Cl)cc3Cl)c2)s1 740059476 JGDKBODEZQBVIN-LJQANCHMSA-N 446.359 5.126 30 20 IKED O=C(O)c1ccccc1COc1cccc(/C=C\C(=O)c2c(Cl)nc3sccn23)c1 741845031 USOUWFOSRKLJMZ-HJWRWDBZSA-N 438.892 5.223 30 20 IKED O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1ccc(S(=O)(=O)CC(F)F)cc1 741853232 YZFGJQWZLUQQFO-NVNXTCNLSA-N 442.483 5.201 30 20 IKED Cc1cc([C@@H](NC(=O)NCc2ccc(OCC#N)cc2)c2ccccc2Cl)ccc1F 743583335 RBKZULUWCQNTJR-HSZRJFAPSA-N 437.902 5.279 30 20 IKED Cc1ccc(Br)cc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 744029725 WHPXROTVLCAEBA-IBGZPJMESA-N 449.304 5.511 30 20 IKED C[C@@H](OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc(Cc2ccccc2)no1 745004251 PIPMYLMLBYULTK-GOSISDBHSA-N 439.471 5.437 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN(Cc2ccc(Cl)c(Cl)c2)C2CC2)c1=S 746705927 GCOWFWKEKKMVSY-UHFFFAOYSA-N 446.407 5.591 30 20 IKED Cc1ccc(-c2ncc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)s2)c(C)c1 747111622 HRXWEQSKYNGFLY-HNNXBMFYSA-N 444.343 5.695 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1C#N 752185152 NHIFTQGTCDBWSR-QFIPXVFZSA-N 439.475 5.426 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2sc(-c3ccccc3)nc2C)cc1C#N 752298301 CDQXJFYBOSSPSD-HNNXBMFYSA-N 449.536 5.441 30 20 IKED N#CC1CCC(COC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)CC1 755975931 ZNSUIRRFYTYIDZ-CZAHGJGASA-N 430.548 5.040 30 20 IKED N#C[C@H](C(=O)CCCc1cc(Cl)sc1Cl)c1nc2ccccc2n1C(F)F 756242915 RAUPWRRIHTWJOX-LLVKDONJSA-N 428.291 5.999 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CC=C(c3cccc4ccccc34)C2)ccc1OC 758497831 SEBBCDUUXBKVRJ-QFIPXVFZSA-N 441.531 5.138 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 758584070 JMEIRAAPKJUBCL-XXBNENTESA-N 431.492 5.372 30 20 IKED C=CC[C@H](NC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1)c1ccncc1 758781189 WJQRLUKVHUGPHL-QFIPXVFZSA-N 440.469 5.525 30 20 IKED Cc1ccc(C(=O)CC(C)(C)CC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 760184906 WOHHNXDKPLOJOC-QGZVFWFLSA-N 445.346 5.639 30 20 IKED COC(=O)Nc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc(C(F)(F)F)c1 763481237 SMWSPRRMHBTGFX-MRXNPFEDSA-N 445.422 5.497 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC(OCCCOc3ccccc3)C2)cc1 764051459 KSLFENZEJRFXSR-AREMUKBSSA-N 441.531 5.044 30 20 IKED C=CCn1c(SC[C@@H](O)c2cccc(Br)c2)nnc1-c1ccccc1C 764703777 HKULICVORRJIDK-GOSISDBHSA-N 430.371 5.028 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN(Cc2ccc(OCC)cc2)C(C)C)c1=S 764938187 DJDLOCHUSGISOA-UHFFFAOYSA-N 437.613 5.319 30 20 IKED Cc1cc(Br)cc2c(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)coc12 770848103 RWQGRIDDCKFXFA-CYBMUJFWSA-N 431.673 5.118 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CN(Cc3ccccc3)c3ccccc3)n2)cc1 772646298 UEUPIHRHBIANDA-XMMPIXPASA-N 448.551 5.565 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(CCC)[C@@H]2CCCc3cccnc32)c1=S 774597527 BUXFZQSEXPOZNQ-OAQYLSRUSA-N 449.624 5.418 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(CON=Cc2cccc(OCc3ccncc3)c2)c1 775681728 SELYUUSNPOOBMO-UHFFFAOYSA-N 433.508 5.558 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21 779704299 CKSOGBKPSPRFDE-QFIPXVFZSA-N 434.540 5.124 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(C#N)cc2F)cc(Br)c1OC(F)F 781110711 INVRXHFKLCGUTG-XQRVVYSFSA-N 440.215 5.356 30 20 IKED N#C[C@@H]1C(CN2CCCCC[C@H]2/C=C\c2cccs2)=CC(=O)n2c1nc1ccccc12 783030770 IIKGELJNQXSAPG-OFFRDUJJSA-N 428.561 5.243 30 20 IKED C[C@H](Oc1ccc(C(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)cc1)c1ccccc1 788228376 SRDYEICKEJEFBJ-KRWDZBQOSA-N 425.444 5.105 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@H](C#N)c1cnc2ccccc2n1 792115045 SFESVWQCYXGLMO-WMLDXEAASA-N 448.935 5.436 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCOc2c1ccc(Cl)c2Cl 792780533 SUBPKCGWBMJCCB-DOMZBBRYSA-N 436.364 5.890 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC(c3cccc(Cl)c3)CC2)ccc1OC 793013692 UGOGGXUIXIJCNR-NRFANRHFSA-N 441.959 5.119 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CC(C)(C)[C@@H]2c2cccnc2)c1=S 793571689 JJNGAJQZALDSKM-IBGZPJMESA-N 425.989 5.356 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)n1ccc2ccccc2c1=O 805856211 WDSFETNYWHWCNA-IFXJQAMLSA-N 433.920 5.216 30 20 IKED CC[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(Cl)cc(Cl)c1O 806162436 XJHWXNGFZQYEJU-LJQANCHMSA-N 432.351 5.845 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)n1 810605106 DXLKIPOMJCSPQE-CQSZACIVSA-N 431.533 5.822 30 20 IKED C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2cccc(Br)c2)no1 904292220 HPXMVTMVYZAZLQ-ZDUSSCGKSA-N 428.714 5.208 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)cc1 915087392 TVINXYRSDIRQLE-DENIHFKCSA-N 447.947 5.437 30 20 IKED CC(C)c1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)nn1C(C)(C)C 916886780 ITWDQGQRKJPTKB-HNNXBMFYSA-N 434.512 5.037 30 20 IKED N#C[C@@H](C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)Nc1ccccc1 916898824 HQQXLDHUAZADRM-GMAHTHKFSA-N 434.948 5.510 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C\c1ccc2cc(OC)ccc2c1 916904086 VYJHFKWEUHKVLW-ONDWKUSTSA-N 426.516 5.334 30 20 IKED C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl 916913353 WPQYXEYRVXWEEQ-PWSUYJOCSA-N 427.740 5.475 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)c(C)n1-c1ccc(F)cc1 916917205 GAVAVGFIXFJQSS-HSZRJFAPSA-N 425.463 5.348 30 20 IKED CCCCOc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1OCC 916928377 KESZLVNTXLSWDV-INIZCTEOSA-N 449.334 5.532 30 20 IKED Cc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2csc3ccccc23)c1 917668873 JFROSQKUCJGDKE-OAQYLSRUSA-N 449.601 5.010 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)c2nc(-c3cccs3)no2)cc1C 920891849 FROHGTBLUFXXJV-INIZCTEOSA-N 447.520 5.110 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)cc2)CCC1 1786205521 AQBXDNBNOFCNOJ-WYMLVPIESA-N 449.507 5.104 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccnc4ncccc34)cc2)CCC1 1790900494 WGQKJPMHVZKILV-UHFFFAOYSA-N 442.563 5.370 30 20 IKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792123078 IDDBCZAYHYHTKA-VGOFRKELSA-N 435.593 5.016 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OC(C)(C)C)cc1 1800495557 LPCNOXQHKGNINR-WKCHPHFGSA-N 426.601 5.108 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)[C@@H]1c1cccnc1 1812898093 FOLLDGFJJBWDJU-NBMBROAQSA-N 437.628 5.072 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](F)c2ccccc2)[nH]n1 1814440075 ITSAUHJOIOUWMF-TZIWHRDSSA-N 426.536 5.105 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2csc(C)c2C)[nH]n1 1819304620 GUNQOIDYVUMZNX-FXAWDEMLSA-N 426.586 5.162 30 20 IKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[nH]n1 1822400555 NLIOWKBVXANOFF-IBGZPJMESA-N 443.507 5.033 30 20 IKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](c2ccccc2)C(C)C)[nH]n1 1822576835 UMDICYIXQIVYKQ-RDGATRHJSA-N 434.584 5.035 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C3CCCC3)[nH]n2)c1 1823218768 WLEIYERJXRMIMB-KKAUQULASA-N 445.567 5.089 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccsc2)CC1 1825298427 WTIFWJLJLDWGFM-YSESTWPTSA-N 426.626 5.149 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2SC)CC1 1829483395 NEQXLYPQZSFRRO-OAQYLSRUSA-N 443.657 5.029 30 20 IKED Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)Nc4ccc(CC#N)cc4)cc3)sc2c1 15499274 OVOIBEUSMIVVLJ-KRWDZBQOSA-N 426.545 5.777 30 20 IKED C=CCn1c(SCc2ccc(Br)cc2)nnc1[C@H]1COc2ccccc2O1 21088355 JSVAHUCLBDHRIM-GOSISDBHSA-N 444.354 5.031 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C(C)C)cc2)[n+]2cccc(CO)c2)cc1 22728667 BNSNVPUCAWKJBA-UHFFFAOYSA-O 449.596 5.039 30 20 IKED CC1CCC(C#N)(N(C)C(=O)[C@H](C)Sc2nn(-c3ccccc3)c(=S)s2)CC1 23499971 ZAJCSEKFVXBOLD-CHWWFWEZSA-N 432.640 5.075 30 20 IKED C=CCOc1ccc(/C=C2\C(=O)N(c3ccccc3C)C(=O)c3ccccc32)cc1OC 23724626 SDSUMYJLNDXYBT-JWGURIENSA-N 425.484 5.296 30 20 IKED CSc1nc(C2CC2)cc(C(=O)OCc2csc(-c3ccc(F)cc3)n2)c1C#N 26984173 SKUXCLXFUPNRAM-UHFFFAOYSA-N 425.510 5.172 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1ccc(OC(F)(F)F)cc1 71842492 SUZAQQCILQVEOC-UHFFFAOYSA-N 439.434 5.373 30 20 IKED CC(=O)N(c1nc(CSc2nc3c(cc2C#N)CCCC3)cs1)c1ccccc1F 96995012 MEOCHAIOFNQQKY-UHFFFAOYSA-N 438.553 5.405 30 20 IKED CC[C@@H]1Oc2cc([C@H](C)NCc3cccc(OCc4cccc(C#N)c4)c3)ccc2NC1=O 236981150 WZJUXZBXKBOVSW-BVZFJXPGSA-N 441.531 5.098 30 20 IKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 255951640 IXJMFTNVNHQBAA-INIZCTEOSA-N 440.490 6.360 30 20 IKED Cc1ccc([C@@H](Nc2ccc(C(F)(F)F)cc2C#N)c2cccc(S(C)(=O)=O)c2)cc1 301732858 TWRIBGDAAPIPFR-JOCHJYFZSA-N 444.478 5.491 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)c2cn(CCC#N)c3ccccc23)n1 302166895 AQZTYYQDIMTZPR-UHFFFAOYSA-N 428.439 5.124 30 20 IKED CCN(CC)Cc1ccccc1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1 302766092 QYTOSDAWQCDXFR-UHFFFAOYSA-N 443.616 5.622 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)c1-c1ccccc1 428510578 NHYAJWVASIKIER-UHFFFAOYSA-N 447.498 5.448 30 20 IKED CC(=O)c1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1C 434624279 GJBPHHFFCFCAKW-QGZVFWFLSA-N 429.328 6.118 30 20 IKED C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(Cc2cn(CCC#N)nc2-c2ccncc2)C1 435135159 MQPUPBMFQWJIOS-VGSWGCGISA-N 439.485 5.461 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 438655144 XOHPWEXCCMBAMF-FGZHOGPDSA-N 432.911 5.831 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 441096177 RZLXJOMSQFJQHP-LSDHHAIUSA-N 443.560 5.006 30 20 IKED C=CCC[C@H](NC(=O)Nc1cccc([C@H]2CNC(=O)C2)c1)c1ccc(C(F)(F)F)cc1 442220046 IFGRWVRTWBDRLI-XLIONFOSSA-N 431.458 5.138 30 20 IKED N#Cc1nc(N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)ccc1C(F)(F)F 443520550 ZSIUQMSKQIGGLS-CYBMUJFWSA-N 433.821 5.059 30 20 IKED CC(C)n1c([C@H]2CCCN2C(=O)c2cn(CCCC#N)c3ccccc23)nc2ccccc21 444292621 SBZQPMUYUZIEDQ-RUZDIDTESA-N 439.563 5.853 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 448370442 IIPJFOIMFHJEEC-INIZCTEOSA-N 446.041 6.380 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H]1c1ccc(OC)cc1 460792207 RCKVQQRPUWLCOW-DEOSSOPVSA-N 427.552 5.276 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 464457994 DADUPWZJQVMATJ-XUTJKUGGSA-N 445.405 5.260 30 20 IKED CCCCOc1ccc(OC)cc1NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 465453667 FWUOSSUEKTVKSM-UHFFFAOYSA-N 446.551 5.520 30 20 IKED COc1ccccc1O[C@H](C)CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 466312384 PPZUVKYKVGKSPN-DYESRHJHSA-N 449.938 5.593 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@H](c1ccc(Cl)cc1)C1CCCC1 466505775 QVMYFLVQRJRTJW-DEOSSOPVSA-N 449.986 5.194 30 20 IKED C=CCOc1ccc(CN(C(=O)CCCc2nc(O)c3ccccc3n2)C(C)(C)C)cc1 467898002 JOZYPSFEPGKBIZ-UHFFFAOYSA-N 433.552 5.050 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1cccc(C)c1 468649036 SGPYRQSBKNMYBN-SFHVURJKSA-N 431.565 5.960 30 20 IKED C[C@@H](O)C[C@H](CNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccccc1 468849500 GCCYBWRZYLRWKZ-DYESRHJHSA-N 434.923 5.288 30 20 IKED N#CCCCn1cc(C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)c2ccccc21 469613286 LAYMMCTWMBEPHU-UHFFFAOYSA-N 439.306 5.085 30 20 IKED C=CCOc1cccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2cccc3ccccc23)c1 478840093 PGJMGJYSRPLAPG-AREMUKBSSA-N 436.511 5.249 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)c1cnc2ccccc2n1 483203300 VGTQSMOSDHZUIN-AWEZNQCLSA-N 435.270 5.614 30 20 IKED N#Cc1cc2c(nc1NC(=O)Cc1csc(-c3ccc(Cl)cc3Cl)n1)CCCC2 484149563 WAAFXJDXJOMMAP-UHFFFAOYSA-N 443.359 5.444 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cnc(-c3ccsc3)s2)cc1 486705574 FEXKSSCJAACEAX-UHFFFAOYSA-N 433.533 5.725 30 20 IKED N#CCCC[C@@H](NC(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1)c1ccccc1 487566949 DHWYDURIEMHPBO-OAQYLSRUSA-N 436.943 5.249 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)nnc1-c1cccs1 489438144 LZGRNLXDPLVIMA-HNNXBMFYSA-N 438.578 5.251 30 20 IKED CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c(F)c1 490909962 QSQUOJWXAVCAQE-UHFFFAOYSA-N 433.439 5.092 30 20 IKED C=CCN(CCc1ccco1)C(=O)NC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 497646735 LPPQFWIPRLJDLX-KNQAVFIVSA-N 449.517 5.122 30 20 IKED CC(=O)N1CCc2cc(NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)ccc21 502229467 FYUOHKYFGIIDTD-JOCHJYFZSA-N 444.922 5.548 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1 503025078 PJVJZWGSUIBASJ-MHZLTWQESA-N 448.526 5.638 30 20 IKED CC[C@@H](C)n1c(S[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nnc1-c1ccccc1 504320886 KHXHMHSBSYJLLU-AAXCNWCCSA-N 439.629 5.328 30 20 IKED Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1 505330854 MTACXKUYAWCYKD-IBGZPJMESA-N 430.291 5.172 30 20 IKED C=CCN(Cc1ccccc1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 505608604 VWMNFQPNFGUHSB-LJQANCHMSA-N 431.363 5.060 30 20 IKED Fc1ccc(-c2nc(CN[C@H](c3ccccc3C(F)(F)F)C(F)(F)F)co2)cc1F 505857519 RYMBCAHRQIBXSW-MRXNPFEDSA-N 436.302 6.032 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)cc1 507828236 ULKIAMCZBIFSRX-LJQANCHMSA-N 443.547 6.230 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(C)nn(-c2ccc(F)cc2)c1C 508387215 HZDYNKCPNVFRRF-UHFFFAOYSA-N 441.466 5.248 30 20 IKED C=CCOc1cccc(NC(=O)N[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 510674689 LBMLUWVVPYYLLA-QGZVFWFLSA-N 433.483 5.526 30 20 IKED CCCC1CCC(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 512990044 BQHDBSDMIIMWPX-FQVRHNBASA-N 437.971 5.409 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1C 513504141 AQWRTKMNSSAYAX-HXUWFJFHSA-N 444.501 5.275 30 20 IKED C=CCn1c(SCc2csc(COc3ccc(C)cc3)n2)nnc1-c1ccccc1 514892242 XAAFEJUBYJKBAL-UHFFFAOYSA-N 434.590 5.767 30 20 IKED CCCCN(C(=O)c1ccc(C#N)c(C)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 515341184 GEMASVCJEJNUMS-UHFFFAOYSA-N 445.375 6.139 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4o3)cc12 515597293 HUWPCWXFILPGRB-KRWDZBQOSA-N 430.464 5.225 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCc3cccc(Br)c3)c2)c1 515674738 JOYHITLIIXZZIJ-UHFFFAOYSA-N 448.320 5.144 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccc(OC)cc4)n3)n2)cc1 516270361 UXQAJVONKMMHEI-SFHVURJKSA-N 447.541 5.441 30 20 IKED Cc1ccc([C@@H](C)NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 516386901 VJVLYGHOOMUJHO-GOSISDBHSA-N 429.545 5.089 30 20 IKED Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccccc2S[C@H](C)CC#N)c1 518128560 YENLICSGHGSOES-GOSISDBHSA-N 436.606 5.614 30 20 IKED N#Cc1c(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)sc2c1CCCCC2 518169137 GQNRUCQJDYNGOZ-UHFFFAOYSA-N 441.354 5.089 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCC(=O)c3ccc(F)cc3F)cc2Cl)cc1 518323086 DWWGNXPJDKAXQG-UHFFFAOYSA-N 440.833 5.884 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(-c4ccc(F)cc4)nc3C)n2)cc1 518515483 QATLNXSREFHTIZ-GOSISDBHSA-N 449.532 5.880 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 518739011 JWHDKZZCNFYNDU-CQSZACIVSA-N 437.546 5.228 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cnc4ccccc4c3C(F)(F)F)cc2)cc1 520558703 CKFKRUPLMVWUFY-UHFFFAOYSA-N 433.389 6.170 30 20 IKED CCC[C@@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1cccc(C(F)(F)F)c1 520847037 UOLITPRBEFXRPQ-QGZVFWFLSA-N 449.498 5.307 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C2CCN(Cc3ccccc3)CC2)cc1 521593338 YVRDDHDNSKJUAA-UHFFFAOYSA-N 441.550 5.138 30 20 IKED CCCCN(Cc1ccccc1Cl)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 521813086 UMHKKQVIBBLKBW-KRWDZBQOSA-N 444.000 5.502 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccc(OCC(F)(F)F)cc2)CC1 522086755 RTQGBZDBHBZMTA-UHFFFAOYSA-N 433.430 5.011 30 20 IKED Cc1ccc(Nc2cccc(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)c2)nn1 522883477 DUOJOYHKEZVRJU-RUZDIDTESA-N 449.514 5.102 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccc(OC(F)F)cc2)cc1 523145478 UGQJNSPZKMVSAL-UHFFFAOYSA-N 439.437 5.211 30 20 IKED CCOCc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 523533770 MIICFDWBVPSODK-UHFFFAOYSA-N 431.511 5.146 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)cc1 524084430 LACFAUIAYGUFPS-HXUWFJFHSA-N 445.494 5.595 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N[C@H]3CCCc4cc(OC(F)F)ccc43)o2)cc1 524377488 GIPJJGMSCVQWSI-NRFANRHFSA-N 438.430 5.139 30 20 IKED CC(C)(C)Cc1nc(-c2ccc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)cc2)no1 525059434 HGGAXVOHDOPYRF-SFHVURJKSA-N 442.441 5.339 30 20 IKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(CN(CCC#N)CCC(C)C)cs1 533758682 QWTNBEGKMCVREC-UHFFFAOYSA-N 439.412 5.896 30 20 IKED CN(C)C(=O)Nc1cccc(CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1 534153715 AUXMGHSTVSBNSS-UHFFFAOYSA-N 448.910 5.027 30 20 IKED CCN(C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12)c1ccc(C#N)c(Cl)c1 535119896 DHVPHBVYYNSAIK-UHFFFAOYSA-N 434.883 5.600 30 20 IKED Cc1ccc(-c2ncco2)cc1NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 536286397 SCAOCDBVBMHXSX-UHFFFAOYSA-N 448.533 5.310 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C 537224459 LWSVQRBPQYZQKO-ZAEZVXHUSA-N 428.001 5.660 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1cc(C#N)ccc1NC1CC1 538819756 TWBHKOPTSXCFQB-UHFFFAOYSA-N 434.496 5.146 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)c1nc(-c2ccncc2)cs1 540079529 GUMZNDYKGBWXHD-CQSZACIVSA-N 440.315 5.188 30 20 IKED C[C@H](NC(=O)c1cccc(COC2CCOCC2)c1)c1ccc(-c2cccc(C#N)c2)cc1 542001288 FFZUQGBNSRXKMR-FQEVSTJZSA-N 440.543 5.412 30 20 IKED CN(C(=O)c1ccccc1Oc1ccccc1C#N)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 542559126 JZVJHTWBYUGBPE-PXDATVDWSA-N 430.479 5.482 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NCC(=O)N(CCC#N)c1ccccc1 542591601 XVXKPCNHAQTNAG-INIZCTEOSA-N 438.984 5.369 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](C)C[C@H]2c2cccc(OC)c2)cc1 543280361 NFGWOGZUQSEIBZ-CYFREDJKSA-N 433.552 5.124 30 20 IKED Cc1ccc(C2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)cn1 543966721 HCRDVVKLHPGZRE-DEOSSOPVSA-N 444.966 6.110 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)[C@H]1OCCc2sccc21 550573777 JMUXYNZVRUDAQY-BXKMTCNYSA-N 434.536 5.551 30 20 IKED N#C[C@H](C(=O)c1ccc(Br)c(OC(F)(F)F)c1)c1nc2ccccc2s1 555084282 ZOTBCZSPXYRSER-SNVBAGLBSA-N 441.228 5.447 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@@H]1c1csc(C)n1 572410971 XYBMMYKQGCQLQD-GAJHUEQPSA-N 445.592 5.864 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Cl)cc2OCC(F)F)o1 579514304 YKNYTHAUFMDBRA-UHFFFAOYSA-N 432.810 5.280 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(Br)c3Cl)o2)cc1 583089749 MBMAHDKGJXNZIE-UHFFFAOYSA-N 431.673 5.398 30 20 IKED CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1 587719501 RPCYVTNLEHVSPK-KRWDZBQOSA-N 449.551 5.040 30 20 IKED C=C(C)COc1cccc(NC(=O)NC2(c3ccc(Br)cc3)CCOCC2)c1 592980820 PZLKISCEBKQUJP-UHFFFAOYSA-N 445.357 5.231 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1OC 603689841 AZLLDYZLHGMKOZ-NRFANRHFSA-N 444.491 5.132 30 20 IKED C[C@@H](NC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1)c1ccc(C#N)cc1 603755141 BJPDYOLQFBYHLJ-ZHRRBRCNSA-N 435.321 5.318 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1 604364101 MGXRVIIRGODRBF-OAQYLSRUSA-N 436.515 6.243 30 20 IKED C[C@@H](Nc1ccc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1[N+](=O)[O-])c1ccccn1 604417403 RDOOOPNVLVVUJL-VQIMIIECSA-N 437.459 5.201 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604488198 NWONUJGZXAHMTM-FVQHAEBGSA-N 433.396 5.165 30 20 IKED CC(C)COC1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 609081091 ZTIKSZRGEITQLT-UHFFFAOYSA-N 441.959 5.460 30 20 IKED Cc1cc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c(C)n1CC(F)(F)F 609173285 NUUQKZCJWOMLIG-JOCHJYFZSA-N 441.453 5.241 30 20 IKED CCN(CCC(F)(F)F)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609207906 PRMISZAEEAYRPA-UHFFFAOYSA-N 425.838 5.597 30 20 IKED COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1SC 609427421 QQTOFAYCJBPELM-UHFFFAOYSA-N 435.461 5.242 30 20 IKED COc1ccc(C(C)(C)CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1OC 609506045 KOCSDLIVHKHFRU-UHFFFAOYSA-N 444.531 5.270 30 20 IKED Cc1ccc(C)c(Oc2ccc(CNCc3cn(CCC#N)nc3-c3ccccc3)cn2)c1 609598426 BQVFYZLMGPGNPR-UHFFFAOYSA-N 437.547 5.558 30 20 IKED CSc1cccc([C@H](NC(=O)N[C@@H](C)c2cccc(C#N)c2)c2ccc(F)c(F)c2)c1 610355245 LXEBIQKFYFEMFE-WNSKOXEYSA-N 437.515 5.708 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)cc1 611261941 XLCYNTGHHISXMN-UHFFFAOYSA-N 444.506 5.098 30 20 IKED N#Cc1ccc(CN2CCC(N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)CC2)cc1 611438537 NXZDSNCEUGGTHJ-DZFIZOCASA-N 433.440 5.022 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 612314471 DBPRDCMBPSKVCJ-IBGZPJMESA-N 425.454 5.127 30 20 IKED C=CCc1ccc(OC[C@H](O)CSc2nnc(-c3ccc4ccccc4c3)o2)c(OC)c1 613369129 CFFYVZYHJUSGKU-NRFANRHFSA-N 448.544 5.159 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N2CCSc3ccccc32)nnc1-c1cccc(C)c1 617940839 OCCZBDHNJTZSGA-KRWDZBQOSA-N 436.606 5.059 30 20 IKED COc1ccccc1COc1cccc(NC(=O)N[C@H]2CCc3cc(C#N)ccc32)c1C 618762904 SSYIIYAYHJKBFD-QHCPKHFHSA-N 427.504 5.263 30 20 IKED Cc1ccc([C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c2ccccn2)cc1 619312374 RQNXUEPBRCKIGA-VWLOTQADSA-N 435.487 5.360 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc(Cl)c(OCCCC)c(OC)c2)cc1 626589269 NEJVPMWKROUEEF-UHFFFAOYSA-N 431.920 5.087 30 20 IKED O=C(CCc1ccc(OC(F)F)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642157960 MIAVMQWSHHQZSY-ITGUQSILSA-N 433.339 5.246 30 20 IKED COc1cn(-c2ccccc2)nc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 642281783 JOCLRLRLAKERLA-QGZVFWFLSA-N 434.908 5.148 30 20 IKED O=C(Nc1ccccc1CCC(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 674986968 ALKYBUILFRHHBR-RYUDHWBXSA-N 436.318 5.776 30 20 IKED COc1cc(C=NNc2ccc(C#N)c(C(F)(F)F)c2)ccc1OCc1c(C)noc1C 726425781 HDTPHZHIBZGMOB-UHFFFAOYSA-N 444.413 5.216 30 20 IKED COC(=O)Nc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1F 727403590 ITDVPHVPOFCHHV-UHFFFAOYSA-N 435.480 5.420 30 20 IKED CCN(C(C)=O)c1nc(/C=C2/CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)cs1 728438640 JJCCJBBGYSIKAI-UVTDQMKNSA-N 443.981 5.505 30 20 IKED N#CCOc1ccc(CNC(=O)c2ccccc2C(=O)c2ccc(Cl)c(Cl)c2)cc1 729369373 XCZSTABWBFCTNG-UHFFFAOYSA-N 439.298 5.057 30 20 IKED Cc1csc([C@@H](C#N)C(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)n1 730684966 DIXVVUCVGHSRSU-KXBFYZLASA-N 445.313 5.350 30 20 IKED N#C[C@@H](C(=O)COc1ccccc1OCc1ccccc1)c1nc2cc(Cl)ccc2s1 730922751 ZXOHYKPECGYJTE-SFHVURJKSA-N 448.931 5.784 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(NC(=O)CC3CCCC3)CC2)cc1 731398830 WYZQDXRLGSYVPF-RUZDIDTESA-N 444.579 5.035 30 20 IKED CCc1nc([C@@H]2NC(=O)N(Cc3cccs3)C(c3ccc(F)cc3)=C2C(C)=O)cs1 731430364 LCLFATAVYBBBFA-FQEVSTJZSA-N 441.553 5.173 30 20 IKED Cc1sc2ncn(N=Cc3ccc(-c4c(F)cccc4F)o3)c(=O)c2c1-c1ccccc1 734363634 MWDDUHLEHRLIDQ-UHFFFAOYSA-N 447.466 5.854 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)cc1Cl 739153829 FITJIUMNUXQNSB-WBMJQRKESA-N 438.833 5.209 30 20 IKED CC(C)CC(=O)Nc1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 740434185 FECRSTDBOPADRJ-UHFFFAOYSA-N 432.549 5.593 30 20 IKED N#Cc1ccccc1NC(=S)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 741869923 YPTUTJBTDKGKSO-UHFFFAOYSA-N 428.439 5.251 30 20 IKED CSc1cccc([C@@H](NC(=O)Nc2cccc(OCC#N)c2)c2ccc(F)c(F)c2)c1 743102617 JQICUQVQJZZFEJ-JOCHJYFZSA-N 439.487 5.500 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 743228384 KPIDQYUGYQJEMT-GOSISDBHSA-N 434.540 5.364 30 20 IKED Cc1nc(-c2cccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2)cs1 744026319 VMUUNWUPJMSYRX-QGZVFWFLSA-N 443.500 5.394 30 20 IKED C=CCOc1ccccc1CN(C(=O)CCc1nnc(C(C)C)o1)c1ccc(C)c(C)c1 746853621 XDFHFXHMDIHNSW-UHFFFAOYSA-N 433.552 5.541 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2c[nH]c3cc(F)ccc23)cs1)c1ccc(F)cc1F 749452017 IVNIDWZQRFJNDY-QPJJXVBHSA-N 441.434 5.622 30 20 IKED N#C[C@H](C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1Cl 754532479 VGWBEHZGUJNTLP-CYBMUJFWSA-N 437.710 5.347 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 755571547 CKUWYRHFZSBAEB-UHFFFAOYSA-N 448.548 5.134 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OC[C@H]2CCO[C@@H]2c2ccccc2)cc1C 769338306 BDGIEURCTDCDLU-RCZVLFRGSA-N 429.520 5.015 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2cccc3c2CCCN3C(=O)OC(C)(C)C)n1 778663957 RQBLJQIMPLLHJK-QGZVFWFLSA-N 425.554 5.444 30 20 IKED N#CCOc1cccc(NC(=O)N[C@H](CC2CC2)c2cc(F)cc(Br)c2)c1 779403129 KATNUXXBIMJVKQ-LJQANCHMSA-N 432.293 5.153 30 20 IKED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1 780305864 PDQWLWJFECIIGE-JOCHJYFZSA-N 439.446 5.011 30 20 IKED O=C(/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccc(N2CCNC2=O)cc1 782369117 KZEAVANYBGQHEB-PQMHYQBVSA-N 445.906 5.018 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1nc(Cl)ccc1Cl 785022807 WFIULYLNOXYSHL-UHFFFAOYSA-N 425.316 5.176 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nc(C(F)(F)F)cs1 785680139 YLLFPJKDXYGINW-SUMWQHHRSA-N 430.455 5.700 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 789454579 BCQCLQYSPCXWDM-ICSRJNTNSA-N 429.605 5.696 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@H]1[C@H](C)NC(=O)OC(C)(C)C 789455385 KDWXDWJXTMNEBH-RXVVDRJESA-N 429.605 5.838 30 20 IKED C#CC[C@@H](NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccccc1 790795522 DMYAPSTWRQAWTK-FGZHOGPDSA-N 430.470 5.237 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 799614568 PJNGJNGUSMEEQT-PWHSHALESA-N 434.565 5.023 30 20 IKED N#CC1(CCCOC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)CCOCC1 800150746 CBTNCRLMOKJBSS-UHFFFAOYSA-N 435.307 5.438 30 20 IKED N#CC1(CCCOC(=O)C2(c3cccc(Br)c3)CCCCC2)CCOCC1 800175427 NKICOJHBNJIMQM-UHFFFAOYSA-N 434.374 5.295 30 20 IKED C[C@@]12CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)C[C@H]1C2(Cl)Cl 803547613 CSMURIQJDNNWDY-TZIWHRDSSA-N 431.388 5.506 30 20 IKED C#CCOc1ccccc1-c1noc([C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)n1 809395517 LWOVJJXCKCCTFX-GOSISDBHSA-N 442.302 5.033 30 20 IKED Cc1ccc([C@](O)(Cc2noc([C@H](F)c3ccc(C(F)(F)F)cc3)n2)C(F)(F)F)o1 809452144 ZBJMFKBVBVUJEQ-GDBMZVCRSA-N 438.299 5.041 30 20 IKED C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(N2CCCOC2=O)cc1 814635505 COVAOCULCGEMRM-SJORKVTESA-N 438.553 5.310 30 20 IKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN(C)[C@H]2CCCc3ccccc32)c1=S 818260288 WCFQYEJLPKSPPX-NZQKXSOJSA-N 448.592 5.079 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1OC 819272701 DJYLABQKCAQYOR-SQFISAMPSA-N 443.503 5.556 30 20 IKED N#Cc1ccccc1COc1cccc(-c2nc(-c3ccc(Br)cn3)no2)c1 904849621 RCGZOPDEUPCASF-UHFFFAOYSA-N 433.265 5.012 30 20 IKED C=CCn1c(Cc2ccccc2)nn(CN(C)Cc2ccc(C(F)(F)F)cc2)c1=S 915206569 YLCLOQAQWNGOPC-UHFFFAOYSA-N 432.515 5.299 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)Nc1ccc(Cl)cc1 916883762 UFEBDYMETKQTHO-MRXNPFEDSA-N 430.316 5.007 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@H](C)Sc1cc(Cl)ccc1Cl 916924671 DQPHRYSGKFPOEW-GXTWGEPZSA-N 437.348 5.220 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)cc1 916953179 RXWOOIIVCMZMAY-LEVJEWGPSA-N 436.920 5.438 30 20 IKED C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042902 HZPMTPBNFHSRSK-PXAZEXFGSA-N 430.451 5.448 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 917043005 FPSCUKHWEREONV-MRXNPFEDSA-N 437.977 6.109 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2NC(=O)c2ccoc2)cc1 917119467 HCYLNTLNKXOYPR-HSZRJFAPSA-N 439.446 5.579 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C)n(Cc4ccccc4)c3C)n2)cc1 920139141 NVZMVOJDDVAVDU-HSZRJFAPSA-N 441.556 5.775 30 20 IKED C[C@@H]1CN(C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)Cc2ccccc21 922236832 RYAQTZKKSRRBKK-GOSISDBHSA-N 441.556 5.049 30 20 IKED Cc1cccnc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1786503115 XYQXDVASYMGYEN-IBGZPJMESA-N 438.531 5.079 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@H]4Sc5ccccc5[C@@H]43)CCC2)cc1 1791249744 ABQKTUAKPJIXOU-YYLLSARXSA-N 432.589 5.221 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccoc4)cc3)CCC2)c1 1791957639 GFVANUPXPCPHLM-IBGZPJMESA-N 441.531 5.287 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)Cc3cc(F)ccc3Cl)CC2)C1 1804859817 OZTOJDYDNDPUAS-UHFFFAOYSA-N 449.010 5.245 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 1811955262 SEZRQTIPYQITFP-DQEYMECFSA-N 447.623 5.517 30 20 IKED CC(C)[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC#N)CC1)c1ccc(Cl)cc1 1826686731 PLYKHMAYDZHINB-UPVQGACJSA-N 444.019 5.003 30 20 IKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 1828457344 ANAZJJHQGPWOAL-ONTLXTELSA-N 446.701 5.132 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)cc2F)CC1 1828827615 QGMSOUGGEBVBDT-URXFXBBRSA-N 426.576 5.136 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ccoc23)CC1 1829068529 BLSZWGQBSLAVML-QHCPKHFHSA-N 436.596 5.659 30 20 IKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)CC1 1830420102 AGMIDSLZQUOEIG-JOCHJYFZSA-N 434.690 5.132 30 20 IKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C)c2Cl)CC1 1832603715 UETNAKFQGPEHEX-JOCHJYFZSA-N 429.004 5.075 30 20 IKED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc3occc3n2-c2ccccc2)C1 1844633062 XONBUQISQXGDEF-UHFFFAOYSA-N 445.563 5.033 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)sc1C)=C(/S)Nc1ccc(F)cc1F 11250136 WFEXHVLQKHXUMX-UHFFFAOYSA-O 431.553 5.544 30 20 IKED COc1cc(C#N)ccc1OC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C 14729042 QPINXKLKYZAUNR-UHFFFAOYSA-N 446.532 5.457 30 20 IKED C=C(C)CN/C(S)=C(\C(=O)c1ccc(OCC)cc1)[n+]1ccc(Cc2ccccc2)cc1 22797987 UHTPMKNHUQKTEE-UHFFFAOYSA-O 445.608 5.068 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)nnc1-c1ccccc1 23470181 XBWHLHIFHWGZAQ-CQSZACIVSA-N 447.391 5.407 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1 29202335 KFXHZJMEMFLVSZ-UHFFFAOYSA-N 434.546 5.585 30 20 IKED Cc1ccc(-c2nc(C)c(/C(O)=N/c3nnc(SCc4ccc(F)cc4)s3)s2)o1 31273927 BKIKBUHLMSGBKJ-UHFFFAOYSA-N 446.554 5.939 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)c1ccc(NC(=O)C(C)C)cc1 32786899 RCGRRDNGUGSSAC-SFHVURJKSA-N 448.592 5.013 30 20 IKED COc1ccccc1-c1n[nH]c(/N=C(\O)CCSc2ccc(Br)cc2)n1 64490049 IZTLMZILVXASNP-UHFFFAOYSA-N 433.331 5.013 30 20 IKED CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 109071862 GYCBQPFJGOZLDA-RXVVDRJESA-N 437.971 5.219 30 20 IKED C=CCn1c(-c2sc(NC(=O)c3cc(Cl)nc4ccccc34)nc2C)n[nH]c1=S 111200596 SJFBMTDDKSINFZ-UHFFFAOYSA-N 442.957 5.013 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccccc1F 195569441 PHIBMCRANLAEGE-KRWDZBQOSA-N 438.572 5.821 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc3c(c2)CCCC3)cs1)c1ccc(F)cc1F 206338909 UOJUYUOYSIIANY-LUAWRHEFSA-N 438.499 5.881 30 20 IKED O=C1/C(=C\c2cnc(-c3ccccc3)nc2)CCC/C1=C/c1cnc(-c2ccccc2)nc1 207186048 JFCUIWDVMKOWGE-MQDDAKQZSA-N 430.511 5.821 30 20 IKED C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(NC(=O)C2CC2)cc1 237453919 FVHIDLFNEIPDAD-LJQANCHMSA-N 425.532 5.337 30 20 IKED Cn1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(-c2ccccc2Cl)n1 303362875 QHYFXMICAZGUFM-UHFFFAOYSA-N 428.879 5.657 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1)c1ccccc1 433002452 MGVZLZONAOYSNI-QFIPXVFZSA-N 428.492 5.134 30 20 IKED C[C@H](c1cccs1)N(Cc1ccccc1)Cc1cn(CCC#N)nc1-c1ccncc1 435139485 WPLZWDWLXUBVPG-HXUWFJFHSA-N 427.577 5.684 30 20 IKED COc1cccc(C)c1NC(=O)c1sc(-c2ccc(OCC(C)C)c(C#N)c2)nc1C 436225222 YAQXQBGPWBNMAF-UHFFFAOYSA-N 435.549 5.594 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc(-c2cccc(F)c2)no1 437138651 SVRYNARZVWOPKC-INIZCTEOSA-N 442.450 5.225 30 20 IKED C[C@@H]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)[C@@H]1c1ccc(C(F)(F)F)cc1 438243292 ZZHOZUSGUXVJBO-MWTRTKDXSA-N 443.469 5.296 30 20 IKED CCCc1c(NC(=O)Nc2ccc(N3CCCC3)cc2C)cnn1-c1cccc(C#N)c1 439222478 JXQMPGVLZATZGC-UHFFFAOYSA-N 428.540 5.249 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)N(C)Cc3nnc(-c4ccc(C#N)cc4)o3)s2)cc1 441471333 HBUHWCDTGSESRU-QGZVFWFLSA-N 429.549 5.542 30 20 IKED C=CCC[C@H](NC(=O)Nc1cc(C)nn1Cc1ccccn1)c1ccc(C(F)(F)F)cc1 442204864 CNKXKLRITPNHPO-FQEVSTJZSA-N 443.473 5.483 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ncccc3Oc3ccccc3)n2)cc1 442515262 WJLQRUUHKMKWOF-IBGZPJMESA-N 427.485 5.496 30 20 IKED CC(C)c1oc([C@H]2CCCN2c2ccc(C(F)(F)F)c(C#N)n2)nc1-c1ccccc1 443518160 KVRFFWPAFCXPEU-GOSISDBHSA-N 426.442 6.092 30 20 IKED O=C(Nc1cc(C(F)(F)F)cnc1O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F 445240846 ORJIKSKBMAOZQH-NSHDSACASA-N 431.695 5.024 30 20 IKED C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 460955995 ZTNBBYIDAMYHSH-VGOFRKELSA-N 441.501 5.446 30 20 IKED O=C(Nc1ccc(C(F)(F)F)cc1Br)c1c(F)cc(C(F)(F)F)cc1F 464198339 NEWHRHSTGCMJDX-UHFFFAOYSA-N 448.107 6.017 30 20 IKED Cc1cnc([C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)s1 466119653 YIJLEGWEOZVPNU-CTNGQTDRSA-N 436.968 6.033 30 20 IKED CCN(C(=O)c1ccc(NC(=O)c2ccc(OC)cc2)s1)[C@@H](C)c1ccc(C#N)cc1 466412314 OHZUBOVVOPSEIJ-INIZCTEOSA-N 433.533 5.104 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@@H](C)c2cc3ccccc3o2)n(Cc2ccccc2)c1C 467282180 NWQNZQHIZHWNBZ-SFHVURJKSA-N 426.520 5.060 30 20 IKED Cc1nn(CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1-c1ccccc1 469381468 NUBWTTQDOKSHLP-UHFFFAOYSA-N 444.482 5.522 30 20 IKED CC(C)[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Cl)cc1 470546514 MOKBJAJRSFGCDK-QHCPKHFHSA-N 438.959 5.442 30 20 IKED C[C@@H](c1nc2ccccc2n1C(F)F)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 470996033 QEDLDWJHUKJRAL-YWZLYKJASA-N 429.902 5.028 30 20 IKED N#CCCSc1ccccc1NS(=O)(=O)c1cc(Cl)c(Br)cc1F 471610542 NEOKIRFPRQRGOA-UHFFFAOYSA-N 449.754 5.048 30 20 IKED Cc1nc(CC(C)C)oc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 475351219 LHJFFLDHUODRKX-UHFFFAOYSA-N 448.470 5.372 30 20 IKED Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NCCSCc1ccccc1C#N 477838107 VKDOURXABWOIIN-UHFFFAOYSA-N 445.466 5.204 30 20 IKED CC[C@H](C)n1ncc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1C 478861500 VTGGHKJUGVHQCE-LBPRGKRZSA-N 447.486 5.353 30 20 IKED C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 480363373 XWTPZWZNEOSZAI-NIKGAXFTSA-N 435.877 6.190 30 20 IKED Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)cc2F)n1 482398380 VLSNRDQBZFBWLD-UHFFFAOYSA-N 440.478 5.331 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C[C@H](c1ccccc1)C(F)(F)F 482842697 RJRSZHIZKWMZTE-LJQANCHMSA-N 425.410 5.729 30 20 IKED N#Cc1cc2c(nc1NC(=O)c1ccc(Oc3cccc(Cl)c3Cl)nc1)CCCC2 484181014 RWSYPLOCNQJZRU-UHFFFAOYSA-N 439.302 5.578 30 20 IKED Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)[C@H](Oc1ccccc1C#N)C(C)C 489365243 ROHYQDUSAPTFPY-MPCDZSKCSA-N 447.579 5.027 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 494090579 RXWUTQDKAMAZBJ-FQEVSTJZSA-N 442.588 5.228 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(CCO)Cc2cccc(F)c2)cc1Cl 494511595 OYPIYRVOKCZCJS-QFIPXVFZSA-N 437.902 5.161 30 20 IKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H]1OCCc2sccc21 494942941 ZYTZZIOZBNDLEO-OSPHWJPCSA-N 447.560 5.217 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3CCCC34CCOCC4)cc2Cl)c1 503063368 QGNDYRLKAWESQR-QFIPXVFZSA-N 439.943 5.261 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)Cc2ccc(OCc3ccccn3)cc2)cc1 503414043 VYABLFLQZZSVFF-UHFFFAOYSA-N 435.483 5.506 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](c3ccccc3F)C2)cc1Cl 504041084 ZKPUAMUKIRQBRS-GCJKJVERSA-N 433.914 6.156 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)c2cc(F)ccc2OC)cc1 508246541 AHZNLGGXXHBQAX-OAHLLOKOSA-N 435.455 5.390 30 20 IKED CCN(C(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1)[C@@H](C)c1ccc(C#N)cc1 509576363 VFEMETZIBOHGCV-KRWDZBQOSA-N 447.608 5.006 30 20 IKED CCN(C(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1)c1ccc(C#N)cc1 510391784 AROHCUDCRRLGIL-UHFFFAOYSA-N 438.325 5.270 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 511010992 CSSPDWXWMCBEDR-GOSISDBHSA-N 446.576 5.304 30 20 IKED CCN(C)C(=O)c1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 511553063 JDDGWVCEIFCCLN-JOCHJYFZSA-N 431.923 5.340 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(OCc3cccnc3)c2)c1 512199792 DJRIZZRYMSGRNR-UHFFFAOYSA-N 435.483 5.364 30 20 IKED CC(C)N(Cc1ccc(Br)cc1)C(=O)Nc1ccccc1S[C@H](C)CC#N 517531698 CZJITIMTKPMFPG-MRXNPFEDSA-N 446.414 6.286 30 20 IKED C=CCn1c(Sc2nc(C(F)F)nc3ccccc23)nc2sc(C)c(C)c2c1=O 518714815 IEQRALMHMXOLDB-UHFFFAOYSA-N 430.505 5.293 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)cc1 521268045 DUBMZZKHWLROEL-UHFFFAOYSA-N 446.359 6.076 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1c(C)nc(-c2ccc(F)cc2)nc1SC 521727880 XBEMCVCFYQEGKD-UHFFFAOYSA-N 432.524 5.013 30 20 IKED CCCC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 521740158 PGSKEWRSZANHOG-GDBMZVCRSA-N 441.519 5.125 30 20 IKED CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 521930409 ORIJALCRKFCNAP-LJQANCHMSA-N 441.531 5.003 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)Cc2cccc(C(F)(F)F)c2)cc1 523156285 MHBAPAKAVBWWJZ-KRWDZBQOSA-N 430.470 5.337 30 20 IKED N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2Br)sc2c1CCCCCC2 523509264 SRWOWPALSGNIIB-UHFFFAOYSA-N 434.315 5.202 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCC(c4c[nH]c5ncccc45)CC3)c2)cc1 523742610 IJIGAEFIXMLBID-UHFFFAOYSA-N 436.515 5.033 30 20 IKED CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)c1ccc(C2(C#N)CC2)cc1 538533787 XTPJTTNETFCPIH-UHFFFAOYSA-N 431.511 5.521 30 20 IKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nc4ccccc4o3)cc(-c3cccs3)nc21 538581478 PROHCDGYHXEHAA-HNNXBMFYSA-N 427.489 5.372 30 20 IKED CC(C)c1nnc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1 542123675 PVKZBYGNRDLXDK-LBPRGKRZSA-N 435.290 5.624 30 20 IKED CC(C)(C)[C@@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C[C@H]1O 542634529 VQJYXFCZSMZHKE-TUNNFDKTSA-N 425.960 5.256 30 20 IKED N#Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1Cl 547647306 OICIMDLJFHKKPN-AWEZNQCLSA-N 432.719 6.132 30 20 IKED C=C(C)Cn1c(Cc2ccc3ccccc3c2)nnc1N1CCC(c2ccnn2CC)CC1 549291159 HIJQTHWEZHDOJV-UHFFFAOYSA-N 440.595 5.199 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 549659300 PUCXMXGJSBYTJK-UHFFFAOYSA-N 435.959 5.030 30 20 IKED N#Cc1cc(Cl)cc(Br)c1N1CCC(n2ccc(C(F)(F)F)n2)CC1 553517273 ZPFKJUBYYFZCQO-UHFFFAOYSA-N 433.659 5.031 30 20 IKED C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 556930676 KZTIRGVYZFYLNI-CQSZACIVSA-N 446.353 5.366 30 20 IKED Cc1cc(Br)c(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)cc1Cl 557558685 WBIMVWHEOZXPFJ-UHFFFAOYSA-N 443.732 5.337 30 20 IKED CC(C)(CCC#N)CNC(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 558342464 YSVXMHZKMXVCIS-UHFFFAOYSA-N 432.446 5.409 30 20 IKED Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N(C)CCOCc1ccc(C#N)cc1 570758091 OFCPCQHUZQGSDS-UHFFFAOYSA-N 444.318 5.117 30 20 IKED O=C(Cc1noc([C@@H](F)c2ccc(C(F)(F)F)cc2)n1)Nc1cccc(C(F)(F)F)c1 573044002 HJJWVLKZSUXFNR-INIZCTEOSA-N 447.310 5.347 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)c1ccc(OCc2ccccc2)cc1 574706966 UMDYAWRSOOIQSE-UHFFFAOYSA-N 442.902 5.297 30 20 IKED CCCCS(=O)(=O)c1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 576696121 UBJDAJRXARWTRE-INIZCTEOSA-N 432.954 5.014 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)CCSc3nnc(-c4ccccc4F)o3)c2C#N)C1 589940046 NNZKDICNTRARIU-LBPRGKRZSA-N 442.541 5.055 30 20 IKED C=CCN(C(=O)c1cc(C(C)=O)cs1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 592580781 VDNBXPRVJJALKN-UHFFFAOYSA-N 437.373 6.214 30 20 IKED N#C[C@@H](C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1nc2cc(F)ccc2s1 592975742 OGVSUBFQIQKBJC-KRWDZBQOSA-N 449.894 5.831 30 20 IKED C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccccc1OC(F)F 603649112 WVLMKDVLGLMCOI-ZDUSSCGKSA-N 428.464 5.090 30 20 IKED COc1ccc([C@H](NCC(=O)Nc2sc3c(c2C#N)CCCCC3)c2ccccc2)cc1 603901209 HDZSUXLAUPTKFU-RUZDIDTESA-N 445.588 5.215 30 20 IKED N#C[C@H](C(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1nc(-c2ccncc2)cs1 604005408 CICMOMNIPAJCKO-OAQYLSRUSA-N 445.931 5.928 30 20 IKED C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 604046401 DQRQMDYDZKDAFP-CQSZACIVSA-N 436.855 5.351 30 20 IKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccccc1OCc1cccc(Cl)c1 606027349 MQHCQQLMBMRVDF-UHFFFAOYSA-N 440.952 5.134 30 20 IKED N#C[C@H](NC(=O)c1cc(F)ccc1Br)c1ccc(OCc2ccccc2)cc1 609028745 ORFGASHMIOJWOQ-NRFANRHFSA-N 439.284 5.162 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 609431695 BWXKYEJDGBKLKE-GFCCVEGCSA-N 427.879 5.804 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1c1cccc(Br)c1 609435119 QSLNVBCJKJYDDI-BEFAXECRSA-N 444.398 6.212 30 20 IKED Cc1cccnc1[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C(C)C 609682899 GDDLIFMBVBYFBL-QFIPXVFZSA-N 427.508 5.033 30 20 IKED C=CCN(C(=O)CCc1cc(Cl)cs1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 609906290 CBZKQLJDVMIKGG-UHFFFAOYSA-N 433.942 5.585 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]3c3ccccc3OC(F)(F)F)n2)cc1 610150802 UBJXFUDHCKLPFA-JKSUJKDBSA-N 429.423 5.323 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)CC2)cc1 611247533 IQEGBCPPHRXOMP-IAGOWNOFSA-N 445.407 5.266 30 20 IKED N#C[C@H](C(=O)c1ccccc1C(=O)c1ccc(F)cc1)c1nc2ccccc2n1C(F)F 613403802 JDSVSXIYBWOMHW-GOSISDBHSA-N 433.389 5.292 30 20 IKED C[C@@H](Oc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cn1)c1ccccc1 613407254 NFMPDEXUMCDAIB-RDTXWAMCSA-N 433.920 5.975 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 618846928 COSXKSCLCSEOEG-FYYLOGMGSA-N 429.499 5.012 30 20 IKED O=C(Cc1ccc(OC(F)F)cc1)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 622485103 DQGZDIFUOMFZRW-OAHLLOKOSA-N 427.291 5.269 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2ccc(F)cc2)CCCC1 642157482 VWHQZJFRGTXOEF-FOLVSLTJSA-N 425.388 5.663 30 20 IKED O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1cnn(CC(F)(F)F)c1 682503293 QRMJTPWPANZJFV-UHFFFAOYSA-N 448.298 5.043 30 20 IKED Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1cnc(-c2ccccc2)s1 727254219 QHHVEPJWNABORZ-UHFFFAOYSA-N 432.361 5.546 30 20 IKED COc1ccc(-c2nc(/C=C/C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)cs2)cc1 727266746 DZDMJJBXCPXBCH-RMKNXTFCSA-N 439.449 5.148 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(-n4ccnc4S)cc3)cc2F)c1 728192266 GTAYXYCLNLNXCX-UHFFFAOYSA-N 444.491 5.003 30 20 IKED Cc1ccc(C(=O)N[C@H](CC(=O)[C@@H](C#N)c2ccc3ccccc3n2)c2ccccc2)cc1 729889984 GYDLVAJPKJJFFV-JYFHCDHNSA-N 433.511 5.281 30 20 IKED Cc1cccc(COc2cccc(CC(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c2)c1 730072581 YJGNSZOMNPVOAD-OAQYLSRUSA-N 445.469 5.738 30 20 IKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CCC2)c1 730459695 LYGUZTTZHIDYBU-FQEVSTJZSA-N 443.519 5.094 30 20 IKED Cc1cc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)c(C)n1C1CC1 730583841 MRSIBPLGEOQHAE-UHFFFAOYSA-N 436.368 5.088 30 20 IKED C#CCOc1cccc(NC(=O)c2oc3ccccc3c2CSc2nnc(C)s2)c1 730977688 MNJQEZMSFFAJAQ-UHFFFAOYSA-N 435.530 5.149 30 20 IKED C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(SC(F)(F)F)cc1 731340105 JODUOFUXOVABIK-GFCCVEGCSA-N 432.514 5.494 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(SC(C)(C)C)cc2)ccc1OC 733632108 RFSRTXFBFJDBML-SFHVURJKSA-N 427.570 5.588 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(OCc3cccc(C)c3)cc2C)c1 733845520 UENCZJHSLAZQDL-HSZRJFAPSA-N 443.547 5.885 30 20 IKED C[C@@H](NC(=O)COC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1cccs1 735165933 UGSOLGUIHNUYBC-CQSZACIVSA-N 440.908 5.100 30 20 IKED CC(C)(C)CN(CCC#N)C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12 735636792 OIZOZHINALDTIG-UHFFFAOYSA-N 429.520 5.075 30 20 IKED COCC[C@H](Cc1cccc(Br)c1)C(=O)[C@@H](C#N)c1nc2ccccc2s1 741426690 HPYAEWHOTFOFRJ-NVXWUHKLSA-N 443.366 5.130 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1c[nH]c(-c2ccccc2)n1)C(=O)c1ccccc1 742432538 XQQUQYMSWHGJRH-BWAHOGKJSA-N 449.554 6.107 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](CSc3ccccc3)C2)cc1 743096199 OFOBZAMIJDAVSB-CPJSRVTESA-N 427.573 5.988 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C(/C)c2ccccc2C(F)(F)F)cc1Cl 744033943 ZCTJAKZHMYUCHX-LMRWQKIVSA-N 436.817 5.118 30 20 IKED Cc1cc(/C=C\C(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)c(C)n1C1CCCCC1 744611087 PUNJJHCYMZXKDG-SEYXRHQNSA-N 430.508 5.288 30 20 IKED C=CCN(CCc1ccccc1)C(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 744756139 PMBIGFOFDGCSGI-UHFFFAOYSA-N 429.568 5.324 30 20 IKED COc1cc2c(cc1NC(=O)CN(Cc1ccc(C#N)cc1)C1CC1)oc1ccccc12 746115184 OJDCKEOBSKFTMB-UHFFFAOYSA-N 425.488 5.069 30 20 IKED COc1cc(C(=O)/C=C\c2ccc(-c3cccc(Cl)c3)s2)ccc1S(C)(=O)=O 747061351 IESXNIFQAMWTRG-CLFYSBASSA-N 432.950 5.377 30 20 IKED Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N=C2SCCCC(C)(C)C#N)cc1 747807189 OQOBRZHGTSWRGO-MOSHPQCFSA-N 447.560 5.531 30 20 IKED C[C@@H](OC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(F)c(C(F)(F)F)c1 754373337 RMXJTYYUQYAUSL-OAHLLOKOSA-N 436.405 5.176 30 20 IKED CN1C(=O)CCc2cc(C(=O)/C=C\c3cccc(NC(=O)c4ccccc4Cl)c3)ccc21 754689690 LQUALSRECMEODL-LCYFTJDESA-N 444.918 5.397 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 756548403 QAKOKQHHSQIPCU-OAHLLOKOSA-N 425.485 5.201 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2Br)cc1 760365699 ODAWEDNYHNGHQH-IBGZPJMESA-N 425.713 6.010 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1CC=C(c2cccc(Br)c2)CC1 762895269 SMXPOLJTUMSIGX-OAHLLOKOSA-N 426.314 5.061 30 20 IKED COc1ccc2cc([C@H](C)C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)ccc2c1 770848718 YIDCYCUTLVMGTP-ORAYPTAESA-N 441.314 5.606 30 20 IKED CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H](N[C@H](CCC#N)c3ccccc3)c3ccccc3O2)C1 773086354 ILFGGGUYDOREBJ-NOTUOJBMSA-N 447.579 5.524 30 20 IKED C=C(C)[C@@H](NC(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1)c1ccc(F)c(F)c1 773473968 NRIBLKLPTSRAPO-FGZHOGPDSA-N 434.914 5.391 30 20 IKED Cc1ccc(N(C)C(=O)c2occc2COc2cccc(C#N)c2)cc1Br 776416920 NZKFKDOYIYQBPG-UHFFFAOYSA-N 425.282 5.078 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1cccc(Cl)c1 777304551 RLJCTXSRDMUHCD-QGZVFWFLSA-N 447.709 5.102 30 20 IKED COc1ccc([C@H](Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c2ccccc2Cl)cc1 779159925 SFBBNPWKXOPFKI-SANMLTNESA-N 447.966 5.383 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(Br)c2Cl)cc1 779837097 LJJSTKVXVVWDEZ-GOSISDBHSA-N 425.713 6.010 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl 780153793 KXGMRODZSPSWQC-CYBMUJFWSA-N 428.275 5.724 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(Br)cc1C(F)(F)F 780678506 OAEZFXIUOAEBSR-NSHDSACASA-N 442.235 5.080 30 20 IKED N#CCCn1cc(C(=O)COC(=O)COc2ccccc2-c2ccccc2)c2ccccc21 788044048 VHZORWLAZDBWEP-UHFFFAOYSA-N 438.483 5.027 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)/C=C\c3cn(CCC#N)nc3-c3ccncc3)s2)cc1 788355889 PYDBQASVOQCYNN-HJWRWDBZSA-N 439.544 5.495 30 20 IKED COc1ccccc1-c1ncc(/C=C\C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)cn1 792871194 URRJIVDVNXJOPY-WDZFZDKYSA-N 426.428 5.007 30 20 IKED CC(C)(C)OC(=O)NC1[C@H]2CCC[C@H]1CC(C(=O)Nc1cccc(OCCCC#N)c1)C2 795369520 VBABTHZHCGKIJW-BXRCABCMSA-N 441.572 5.027 30 20 IKED CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)c3ccc(C#N)c(Cl)c3)n2)CC1 807884433 XJSPEDJFINXCQD-UHFFFAOYSA-N 446.960 5.035 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)c1 808013626 KINUXPVYVDTJFQ-UHFFFAOYSA-N 442.258 5.605 30 20 IKED COc1cc(C=NNc2ccccc2Br)ccc1OCc1c(C)noc1C 812462131 INLTYIIPANMIDT-UHFFFAOYSA-N 430.302 5.088 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)C[C@H](C)c2ccc(F)c(Br)c2)c1 812510063 VWYFXSQHTGMZAD-YOEHRIQHSA-N 433.321 5.079 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccccc2)[C@@H](O)c2ccccc2)cc1 814576738 GUGZTSCHORIJOA-FCEKVYKBSA-N 447.538 5.938 30 20 IKED CC(=NNc1cc(C#N)cc(Cl)n1)c1sc(-c2ccccc2Br)nc1C 814891774 UCXSZSSBZXZNDA-UHFFFAOYSA-N 446.761 5.637 30 20 IKED Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)C(=O)N[C@@H](CCCC#N)c1ccccc1 815789753 MDNKFHILCBCNKX-DEOSSOPVSA-N 445.950 5.805 30 20 IKED CC1(C)CN(C(=O)c2ccccc2SCC#N)C[C@@H](c2cccc(C(F)(F)F)c2)O1 817717711 HEUOPULBLYKKCB-SFHVURJKSA-N 434.483 5.313 30 20 IKED C[C@H]1C/C(=C\c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)N(C)CCC#N)c2C1 843418612 GBIIGBRCGAKUIL-PMIVHWTLSA-N 438.575 5.409 30 20 IKED CCN(CC)C(=O)c1ccc(CN/C(=N/Cc2ccc(C)cc2)Nc2ccccc2)cc1 849058064 FNGHJCIIYSGLQA-UHFFFAOYSA-N 428.580 5.235 30 20 IKED COc1ccc(C(=O)/C=C/c2cc3cnn(C(C)C)c3nc2Cl)cc1Br 913617901 YVNPCVIXWLOPPG-GQCTYLIASA-N 434.721 5.333 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)s2)cc1 915085765 BPLFAPKDSOCVFH-QHCPKHFHSA-N 439.540 6.035 30 20 IKED O=[N+]([O-])c1ccc(-c2ccc(C=NNc3nncc4ccccc34)o2)c(Br)c1 915914709 WATYCFKOWYEPHR-UHFFFAOYSA-N 438.241 5.007 30 20 IKED CC(C)c1nnc(S)n1N=Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 916312654 ITYOSQVCPGRLKW-UHFFFAOYSA-N 434.352 5.132 30 20 IKED O=[N+]([O-])c1ccc(-c2ccc(C=Nn3c(S)nnc3-c3ccccc3F)o2)c(Cl)c1 916319810 NBZVVWIYCNAGBK-UHFFFAOYSA-N 443.847 5.077 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)n2)cc1 916973025 SBBOONPYMNIWEM-FPOVZHCZSA-N 444.560 5.239 30 20 IKED N#C[C@H](C(=O)COc1ccc(C(F)(F)F)cc1)c1nc(-c2ccc(Cl)cc2)cs1 916976893 WKKGOCKZAARPKX-MRXNPFEDSA-N 436.842 5.738 30 20 IKED N#C[C@H](C(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1)c1nc2cc(Cl)ccc2s1 917046998 OHJIARZXBXWWHX-MAUKXSAKSA-N 445.931 5.332 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Oc2cccc(NC(=O)C3CC3)c2)cc1 917053413 KXWUYYUWICBWEZ-UHFFFAOYSA-N 428.513 5.418 30 20 IKED C=CCn1c(COc2ccccc2F)nn(CN2CCC[C@H]2c2cccc(F)c2)c1=S 917485673 DOTSADLNFOBLEJ-FQEVSTJZSA-N 442.535 5.252 30 20 IKED Cc1ccc(-c2noc(CCC(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)n2)cc1F 918491561 CSKNIBHBDPOONF-CQSZACIVSA-N 440.887 5.256 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc3c4ccccc4n(C)c3s2)cc1 919868788 ZFCARXOXLWIKQH-UHFFFAOYSA-N 429.545 5.460 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1csc(-c2ccc(Cl)s2)n1 920110539 RNRGJCFMRKBOMD-AWEZNQCLSA-N 437.933 5.639 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc4cccnc4[nH]3)cc2)CCC1 1789315754 BQRLCODOBALVJG-NRFANRHFSA-N 428.536 5.079 30 20 IKED Cc1[nH]ccc1C(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789508104 MGTSEUWPELURCT-UHFFFAOYSA-N 435.644 5.122 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(F)cc3Cl)C2)CC1 1806557306 OCORMMJNNOUDME-OAQYLSRUSA-N 446.994 5.021 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C(C)=C/c2ccc(C)o2)[C@@H]1c1cccnc1 1810404402 JGWVZVOLYPVQTH-PPIOEHGWSA-N 449.595 5.085 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(C)(C)C)cc2)[nH]n1 1821924405 ATMCDQLHHNWXKF-LAUBAEHRSA-N 438.572 5.105 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CC[C@H](CCC)CC2)n[nH]1 1822101598 WCAJAMPAVJAOQL-LNLFQRSKSA-N 436.547 5.220 30 20 IKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)cc2)n[nH]1 1823288723 ALIUWPFLCGXXHK-XMMPIXPASA-N 440.547 5.186 30 20 IKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)[C@H](C)CC)CC1 1826421994 DSAHQEDYZHNTPO-PWMMPXSUSA-N 436.640 5.240 30 20 IKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2oc3ccccc3c2C)CC1 1828129659 VGOICPHEKYDIBC-QHCPKHFHSA-N 434.580 5.168 30 20 IKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCC3CCC3)CC2)c(Cl)c1 1830720903 MCGMBDCIPXOIAE-QHCPKHFHSA-N 442.003 5.025 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1831859830 ZPWLXMJEHYZYFG-LJQANCHMSA-N 442.909 5.168 30 20 IKED CC[C@H](C)[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C#N)CCC2)CC1)c1ccccc1 1832784152 VPBJGJRPIVUQFC-GVXSCFBNSA-N 449.639 5.130 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)sc1C)=C(/S)Nc1ccc(Cl)cc1 10832988 KSVVZFJQQZYSSZ-UHFFFAOYSA-O 430.018 5.919 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(OC)cc1)=C(/S)Nc1cccc2ccccc12 11127901 INQHETOKNPFXHY-UHFFFAOYSA-O 441.576 5.749 30 20 IKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)ccc1Cl 11983947 JEPWZRSKMDLTND-UHFFFAOYSA-N 447.347 5.391 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Cl)nc2sc(C)c(C)c2c1=O 16715494 QPIMMBCEWFGSIO-ZDUSSCGKSA-N 433.986 5.034 30 20 IKED CCCn1c(SCC(=O)Nc2ccccc2SCC#N)nnc1-c1cccc(C)c1 21178873 OJOZVAZJXPWSFB-UHFFFAOYSA-N 437.594 5.010 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C)cc2)=C(/S)Nc2cccc3ccccc23)cc1 22693233 LZRAIUUIGOCTAN-UHFFFAOYSA-O 425.577 6.049 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2c(C)cc(C)cc2Cl)[n+]2ccccc2)cc1 22732807 RAGLKJTXZQQTFL-UHFFFAOYSA-O 439.988 5.694 30 20 IKED C[C@@H](OC(=O)c1ccc(COc2ccc3ccccc3c2)o1)C(=O)Nc1ccccc1C#N 24297756 YTTOPRWIUSXSQW-QGZVFWFLSA-N 440.455 5.067 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)[C@@](C)(Cc1nc2ccccc2s1)c1ccccc1 25119384 DERUWRDBNONMHM-SANMLTNESA-N 425.557 5.327 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(Cl)ccc3Br)s2)cc1 30613532 CBDZNZASEYXUAR-UHFFFAOYSA-N 432.730 5.274 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)Cc3csc(-c4cccs4)n3)c2)c1 32289606 GXFZHCIZYHXQMD-UHFFFAOYSA-N 431.542 5.503 30 20 IKED C[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)Nc1cccc(C#N)c1 33942156 XFNMBFLHFUPCNR-KRWDZBQOSA-N 437.528 5.197 30 20 IKED C=CCN(C(=O)c1cccc(-n2cccc2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 61203556 SBNUVZRGUPRQRS-UHFFFAOYSA-N 430.489 5.342 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 64814101 OOCMOHHJSFBUHE-UHFFFAOYSA-N 440.478 5.130 30 20 IKED CC(=O)N[C@@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccc(Cl)cc1 72025256 HDQZAKFNIMGHKA-DEOSSOPVSA-N 447.922 5.518 30 20 IKED C=C(C)COc1cccc(NC(=O)c2cc(Cl)ccc2I)c1 303168236 ISAXQAXXIHZUBX-UHFFFAOYSA-N 427.669 5.152 30 20 IKED Cc1cc(C(=O)N2CCC(C)CC2)ccc1NCc1cccn1Cc1ccccc1C#N 428336668 IPFFYLXJMDMOGT-UHFFFAOYSA-N 426.564 5.201 30 20 IKED COc1cc([C@@H](C)NC(=O)C2(c3cccc(C#N)c3)CC2)ccc1OCc1ccccc1 435029485 MMRFTMLJNLCYHQ-LJQANCHMSA-N 426.516 5.055 30 20 IKED CCOc1ccc(-c2nc(CC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cs2)cc1 436352128 LSAMFGJMYSQHMJ-PKTZIBPZSA-N 431.561 5.050 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(CCC(F)(F)F)CC2CC2)cc1 438597055 BZFLHLNGEONUKZ-UHFFFAOYSA-N 433.430 5.555 30 20 IKED C[C@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 439564884 AUQVYZGMDYPAFV-SFHVURJKSA-N 428.467 5.237 30 20 IKED Cc1c(CSC(C)C)cccc1NC(=O)C(=O)Nc1ccccc1SCCC#N 441041345 CBOGUHSYMDDQLG-UHFFFAOYSA-N 427.595 5.220 30 20 IKED COc1ccccc1C[C@H](C)N(Cc1ccccc1)Cc1nnc(-c2ccc(C#N)cc2)o1 441553770 VAYPYULMUBTUEM-FQEVSTJZSA-N 438.531 5.250 30 20 IKED C=CCC[C@H](NC(=O)Nc1cccc(NC(=O)[C@@H](C)OC)c1)c1ccc(C(F)(F)F)cc1 442204338 BFTVVKZHFGWJEB-QRWLVFNGSA-N 449.473 5.508 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCOc3c(F)cccc32)cc1 443573977 YYJNZCHFHLAYAS-QHCPKHFHSA-N 431.467 5.116 30 20 IKED COc1cccc(Oc2ccc(CNC(=O)c3cn(CCCC#N)c4ccccc34)cn2)c1 444035063 QKFIXFIWJPLPAB-UHFFFAOYSA-N 440.503 5.071 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1cc2[nH]ccc2cc1C)c1ccc(C(F)(F)F)cc1 445141354 UJTJRFDXZVDXQJ-SFHVURJKSA-N 429.442 5.257 30 20 IKED C[C@@H]1C(=O)N(c2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C(=O)N1C1CCC1 445925187 LWJOMIUNMKRZSY-CYBMUJFWSA-N 429.398 5.079 30 20 IKED Cc1sc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1-c1ccc(F)cc1 447107285 FVZIFURYZNXKDE-FQEVSTJZSA-N 443.528 6.348 30 20 IKED Cc1cc(C(F)(F)F)ncc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 464658259 DKGLYNOEEADVPB-UHFFFAOYSA-N 432.299 5.005 30 20 IKED C[C@@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1nc(C2CCCCC2)no1 464698302 YHYOBPDPYPJZPI-QGZVFWFLSA-N 430.508 5.059 30 20 IKED CC[C@@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1nc(C(F)(F)F)cs1 465262836 GBUGAVIRBGVAJT-GOSISDBHSA-N 445.466 5.494 30 20 IKED C[C@H](NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1cccc(OCc2ccccn2)c1 465665308 PPMRPSVMUGZIRQ-LZYPDUGYSA-N 440.547 5.203 30 20 IKED C=CCN1CCC(NC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)Cc2cccs2)CC1 465863956 SYJDPQVRLSLWKR-GOSISDBHSA-N 432.033 5.195 30 20 IKED C=CCN(Cc1ccccc1)C(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 466155318 VTICCUTXTLNPKM-UHFFFAOYSA-N 441.453 5.791 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)c1ccc(C#N)cc1 466914817 AZSBPAAGKLFICS-GFCCVEGCSA-N 426.339 5.244 30 20 IKED Cc1nc([C@@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)oc1-c1ccc(Cl)cc1 469065511 RYXJMICRCMZXEP-QGZVFWFLSA-N 448.954 6.060 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCC(=O)c1ccc(Cl)cn1 470552091 RAQHJFFUKYXGCO-UHFFFAOYSA-N 435.886 5.251 30 20 IKED CC(C)c1nc2c([nH]1)C[C@@H](C(=O)Nc1ccc(OCc3cccc(C#N)c3)c(Cl)c1)CC2 475601318 NIRIRAQADHHGCZ-SFHVURJKSA-N 448.954 5.381 30 20 IKED Cc1ccc(OC2CCN(C(=O)NC3CCC(Oc4ccccc4C#N)CC3)CC2)cc1C 479169164 RRNLXWNQORXJQI-UHFFFAOYSA-N 447.579 5.118 30 20 IKED N#CC1(NC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)CCN(Cc2ccccc2)CC1 479254000 WCNRJIGUUOCDLU-HHHXNRCGSA-N 437.587 5.078 30 20 IKED CCCc1c(NC(=O)C[C@@H](CC#N)c2ccccc2)cnn1-c1cc(F)c(OC)cc1F 483003875 KCDKUVQNQLAEPF-QGZVFWFLSA-N 438.478 5.138 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 483627482 UGZBEIYCAPXLQQ-PXNSSMCTSA-N 447.564 5.747 30 20 IKED C=CCSc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 486243409 YVOWYXOADJZAJQ-UHFFFAOYSA-N 428.985 5.933 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)c1nc(-c2ccncc2)cs1 488238501 NMOQLIVHFLHISL-CYBMUJFWSA-N 433.455 5.280 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1ccccc1C 488938021 VCTXGEYXKCGCES-GOSISDBHSA-N 449.555 5.006 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N2CCC(c3c(C)[nH]c4ccccc34)CC2)c1C#N 490358879 ALHRZGRCQMJQDT-UHFFFAOYSA-N 430.577 5.362 30 20 IKED N#Cc1ccc(-n2nccc2NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)cc1 497955253 JPQPRZKAWQIKJQ-UHFFFAOYSA-N 434.455 5.321 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)n1 498029322 NQDBFGJROVUUFL-CQSZACIVSA-N 432.332 6.251 30 20 IKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N(CC(C)C)c3ccc(C#N)cc3)cc2)cc1 499307993 IYWDFNRDLCGLCD-UHFFFAOYSA-N 446.572 5.143 30 20 IKED CN(C)Cc1cccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 504212282 MKODJLPQOWCLJR-HSZRJFAPSA-N 432.955 5.379 30 20 IKED COc1cc(OC)c(NC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1Cl 505438390 OVYGBOMKLJSJAY-JTQLQIEISA-N 449.866 5.005 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1OCCC(F)(F)F 505807115 OWOKYCIKIOQJSF-IEBWSBKVSA-N 435.421 5.461 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)c(F)c1 506760799 WCHZPJKSYKPWPF-UHFFFAOYSA-N 440.478 5.216 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 507808460 BVOLEVISMLORPW-INIZCTEOSA-N 446.463 5.015 30 20 IKED C=CCn1c(COCc2ccccc2)nnc1N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 508493834 MSWYVRPQPJOOCD-HXUWFJFHSA-N 442.485 5.194 30 20 IKED C=CCn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N1CCC[C@H](COCC)C1 508924895 ZGYGMBBIHXQVOQ-IBGZPJMESA-N 443.551 5.192 30 20 IKED CC(C)(C)c1csc(C2CCN(C(=O)c3ccccc3-c3ccccc3C#N)CC2)n1 509650805 KTASNOQMJDWHII-UHFFFAOYSA-N 429.589 5.999 30 20 IKED CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 509725497 BKRZIGPQXCQRAS-UHFFFAOYSA-N 429.476 5.096 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCCCC[C@H]3c3ccncc3)c2)cc1 509879978 KZRFJDDJNPMSSP-SANMLTNESA-N 440.547 5.876 30 20 IKED CC(=O)N(c1ccccc1)c1nc(CSc2nc(-c3ccccc3)ccc2C#N)cs1 510173244 SGISJVNIEFSGLZ-UHFFFAOYSA-N 442.569 6.054 30 20 IKED C=CCn1c(SCCOC(c2ccccc2)c2ccccc2)nnc1-c1ccoc1C 514877074 YDSMIVALITVSTI-UHFFFAOYSA-N 431.561 5.931 30 20 IKED N#C[C@@H](C(=O)c1ccccc1NC(=O)c1ccccc1)c1nc2cc(Cl)ccc2s1 515539984 KHPKNOFNGBQHKJ-KRWDZBQOSA-N 431.904 5.692 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(COCCc4ccccc4)c3)cc2)nc1 518375887 QEWMKARWTBLPTA-UHFFFAOYSA-N 449.510 5.757 30 20 IKED N#C[C@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)c1c(Cl)cccc1Cl 518532303 KODVGFASABMEKX-INIZCTEOSA-N 436.751 5.694 30 20 IKED C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc(C#N)cc1 520216550 RDQLGTFEKABCGM-CYBMUJFWSA-N 426.270 5.340 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccccc3Cl)o2)c1 520808651 ORGMTKVWRONWES-INIZCTEOSA-N 440.956 5.434 30 20 IKED C=CCc1cc(CNC(=O)N(Cc2cccc(C)c2)Cc2ccco2)cc(OC)c1OC 522692958 DBQFOZCYYFYCEO-UHFFFAOYSA-N 434.536 5.246 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](CCCO)c3ccccc3)cc2Cl)cc1 524902730 RDBVXNYYKNUKQC-QFIPXVFZSA-N 435.911 5.639 30 20 IKED CN(C)C(=O)C[C@H]1CN(C(=O)c2ccccc2-c2ccccc2C#N)c2ccc(Cl)cc21 525537131 CLUHQZYQCXVEBG-SFHVURJKSA-N 443.934 5.101 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccccc2Cl)nc1)c1nc2ccccc2n1C(F)F 530858248 QFNQERHPEGPIHT-CQSZACIVSA-N 438.821 5.762 30 20 IKED Cc1cc(NC(=O)c2cn(CCOc3ccccc3Cl)c3ccccc23)n(CCC#N)n1 532800043 GXBKQCCKGWHXMK-UHFFFAOYSA-N 447.926 5.045 30 20 IKED COC(=O)c1cccc(CNc2ccccc2C(=O)Nc2ccc(F)cc2Cl)c1C#N 534402589 MLUCGWHUWPOBBO-UHFFFAOYSA-N 437.858 5.002 30 20 IKED C=C(C)Cn1c(Sc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)nnc1-c1ccncc1 535590705 MERYHPXDBRYEGS-UHFFFAOYSA-N 430.493 5.038 30 20 IKED CC(=O)c1cccc(OCc2cc(C(=O)Nc3ccccc3S[C@H](C)CC#N)no2)c1 536111940 GSDUWVZAJRNPON-OAHLLOKOSA-N 435.505 5.103 30 20 IKED CN1CC[C@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)[C@@H]1c1ccccc1 536265400 UYSRQGNFNACVBU-ZCYQVOJMSA-N 427.573 5.026 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(OC(F)F)cc(OC(F)F)c1 538293347 GBENHWPSEIBRTR-LLVKDONJSA-N 428.407 5.393 30 20 IKED Cc1cnn(CCC(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c1 542154243 JVDRGDLHAXNBDY-CQSZACIVSA-N 447.301 5.039 30 20 IKED Cc1cccc([C@@H]2CCN(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)C2)c1 542348000 LRKVOHBCJXYLRJ-LJQANCHMSA-N 435.578 5.032 30 20 IKED CC[C@H](NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)c1nc(C(F)(F)F)cs1 542564807 ALIUHNDJTGQKQT-HNNXBMFYSA-N 444.910 5.111 30 20 IKED N#Cc1cc(N2C(=O)NC3(CCCCC3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1 554395181 WQNHXKHSVLJSJN-UHFFFAOYSA-N 429.398 5.128 30 20 IKED N#CCCCOc1cccc(NC(=O)C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)c1 556563616 NHEMLVYNBPPMEI-UHFFFAOYSA-N 433.895 5.267 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3CCCCC[C@@H]3/C=C/c3cccs3)CC2)c(F)c1 556962776 YSTMZRACUPXZMZ-MHNQQFQPSA-N 437.584 5.460 30 20 IKED C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H]1c1nc2ccccc2s1 564376783 IEZQZOPFXDGSAV-SFHVURJKSA-N 447.564 5.100 30 20 IKED O=C(Nc1ccccc1C#Cc1ccccc1)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 569529034 PQBXYFOJHCOGLQ-DHIUTWEWSA-N 442.519 5.080 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2nc(-c3cccnc3)cs2)cc1 576295258 BHIJKCGMWCBVHK-UHFFFAOYSA-N 428.542 5.621 30 20 IKED Cc1cc(C(=O)NC2(C#N)CCN(C)CC2)ccc1N[C@H](C)c1cc(Cl)ccc1Cl 583724578 SJCOFCZWYSILEX-MRXNPFEDSA-N 445.394 5.193 30 20 IKED CC1(C#N)CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccccc2)CC1 584125913 HCTWIEBDHZMSHT-UHFFFAOYSA-N 426.351 5.430 30 20 IKED COc1ccc(CN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H](C)C2CC2)cc1 595803152 IABXYQKKVTXEBX-QGZVFWFLSA-N 430.470 5.076 30 20 IKED Cc1ccc(Sc2ccc(NC(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2)c(C)c1 603650097 YMQOXQIERDAFPC-UHFFFAOYSA-N 443.576 5.075 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1 603668072 CWRONOFLJHMRST-MRXNPFEDSA-N 435.549 5.035 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccc(Cl)c(C#N)c1 603952323 QIEQXJIQMUQXQU-UHFFFAOYSA-N 430.316 5.740 30 20 IKED CC(C)(C#N)c1ccc(N[C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1 603952778 FPAKKPDRESYGNM-QHCPKHFHSA-N 425.488 5.024 30 20 IKED N#C[C@@H](NC(=O)c1ccc(COc2ccccc2Br)cc1)c1ccc(F)cc1 604075274 OIUBPFGXNKUCCL-HXUWFJFHSA-N 439.284 5.162 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCC(C(F)(F)F)(C(F)(F)F)C1 605026668 JWZGYZISUCRZDQ-UHFFFAOYSA-N 428.682 5.707 30 20 IKED CCN(Cc1ccc(CN(C)C)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 608995710 GIACZUBPDRNVPG-UHFFFAOYSA-N 428.536 5.466 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N(Cc3ccco3)c3ccc(F)cc3F)o2)cc1 609058498 XWXIYHYVLZYAQM-UHFFFAOYSA-N 434.398 5.448 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H](C)COCc1ccccc1 609078722 KNRDAOCKDXLPGC-HXUWFJFHSA-N 443.547 5.420 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1I 609090003 UDJBNLKJUGLKPR-HNNXBMFYSA-N 444.297 5.213 30 20 IKED Cc1ccc(-n2ncc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)c2C)cc1 609105429 YOBGKKYNHHXXQB-UHFFFAOYSA-N 440.478 5.331 30 20 IKED N#C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc(OCc2ccccc2)cc1 609172196 RUFZXSCHRKCTHX-OAQYLSRUSA-N 443.484 5.383 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H](CC(F)(F)F)c3ccccc3)cc2)c1 609433676 BSLPRGHYHUWVFC-NRFANRHFSA-N 425.410 6.166 30 20 IKED N#C[C@@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccccc1Br 609593455 XBDZPVLQQQZEDW-HXUWFJFHSA-N 449.308 5.088 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C 609826974 QYZDTGUUAGHVDI-ZJSXRUAMSA-N 435.568 5.409 30 20 IKED COc1ccc2c(c1)OCC[C@H]2NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 611802589 JJSJYWJNLVJOJW-BXKMTCNYSA-N 427.504 5.118 30 20 IKED N#C[C@H](C(=O)c1nn(-c2ccccc2F)c2c1CCC2)c1nc2cc(Cl)ccc2s1 613406987 CDRKQCQFFCHKBE-CQSZACIVSA-N 436.899 5.253 30 20 IKED O=C(N[C@@H]1CCSc2ccc(F)cc21)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618548153 PMXVZRBQRGUWHI-GBIKHYSHSA-N 430.389 5.135 30 20 IKED C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 669805318 UFPYYSKJKMMIGT-IBGZPJMESA-N 445.592 5.590 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 670196939 MVSNTTZZGJKYSE-ZIAGYGMSSA-N 438.803 5.352 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC[C@@H](OCC)C1 670227745 YDOSRGIMCOPUAK-JOCHJYFZSA-N 432.568 5.106 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc4c(c3)OCO4)n2)cc1 726733448 YRGGBQJINJXGIF-KSSFIOAISA-N 447.516 5.013 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3nc(Cl)ccc3Cl)cc2Cl)c1 727999428 OQHPORBOXNAEBO-UHFFFAOYSA-N 432.694 5.745 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2F)c1 728187165 SSVBFHFZEBMRHZ-UHFFFAOYSA-N 425.803 5.090 30 20 IKED CCc1cc(NN=Cc2c(C(C)C)nn(-c3ccccc3)c2Cl)nc(-c2ccccn2)n1 730463874 VLHYGABAHOJVRO-UHFFFAOYSA-N 445.958 5.510 30 20 IKED N#CCCN(C(=O)CCC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F)c1ccccc1 731225827 SUDFULHOZRURED-OAQYLSRUSA-N 443.469 5.096 30 20 IKED C[C@@H](NC(C)(C)CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 731752624 LATVPIICIRPINP-CJFMBICVSA-N 426.564 5.593 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC[C@H](O)c3ccccc3C(F)(F)F)cc2)cc1 732278935 IGHYQEQASBFAPY-QFIPXVFZSA-N 440.421 5.027 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2ccccc2)C(=O)N[C@H]1c1sc(C)nc1C 736534010 FAWDUTJYNXLFLY-OAQYLSRUSA-N 435.524 5.166 30 20 IKED Cc1ccc2oc(CN(Cc3ccco3)C(=O)NCc3ccc(OCC#N)cc3)cc2c1 740046411 GJJQRYSZZOZDTP-UHFFFAOYSA-N 429.476 5.149 30 20 IKED CN(C)c1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c(C(F)(F)F)c1 740434913 JYPCVKSDYIIWQB-UHFFFAOYSA-N 444.482 5.693 30 20 IKED O=C(/C=C/c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1c(Cl)nc2sccn12 741844791 RGBNCUJASHDCIA-AATRIKPKSA-N 439.871 6.088 30 20 IKED CC(C)(C)N(Cc1cccc(F)c1)C(=O)CSCc1cc(Cl)ccc1OCC#N 742971582 RLFTZZGBCQCWDU-UHFFFAOYSA-N 434.964 5.442 30 20 IKED Cc1ccc(C)c(SCc2cccc(C(=O)[C@@H](C#N)C(=O)NCc3ccccc3)c2)c1 744026919 BHZPZIDFALGRBS-HSZRJFAPSA-N 428.557 5.235 30 20 IKED COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)Nc1ccc(C#N)c(Cl)c1 744353431 YXETXOGVSBIZMY-UHFFFAOYSA-N 436.295 5.473 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc4c(c3)-c3ccccc3C4)s2)cc1 746099973 CVWNESPQOMDCGX-UHFFFAOYSA-N 440.553 5.526 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1C#N 752189981 GQWFITQBBPLJDR-UHFFFAOYSA-N 438.871 5.006 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C#N 752300424 GIKHOPHWDXTELH-LJQANCHMSA-N 447.322 5.802 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1 756998994 UHMNKMGPCSVSLV-UHFFFAOYSA-N 437.908 5.342 30 20 IKED C[C@H](OC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1nc2ccccc2n1C(F)F 757858041 JOKREKBPMXSCKO-HNNXBMFYSA-N 435.434 5.127 30 20 IKED C/C(=C/C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C1CC1 764755293 VBRCGHTUYXUQQZ-XQRVVYSFSA-N 440.224 5.328 30 20 IKED COc1ccccc1-c1nnc(S)n1N=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 771870563 CJZMHCQNAHQMHE-UHFFFAOYSA-N 446.376 5.162 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H]2C[C@H](C)c3c(Br)cccc32)ccc1OC 772980847 UPSCZGNXOCZDRV-ZSZQSSIHSA-N 429.358 5.477 30 20 IKED COc1cc(CNc2ccccc2O[C@H](C)C#N)ccc1OCc1ccc([N+](=O)[O-])cc1 779989757 ZKUNVCUJKQXXQC-QGZVFWFLSA-N 433.464 5.085 30 20 IKED COc1ccc(OCc2nc(/C=C\C(=O)c3ccc([N+](=O)[O-])cc3Cl)cs2)cc1 782188490 JGCIYYJLSXSNTN-MBXJOHMKSA-N 430.869 5.188 30 20 IKED Cc1cc(Br)c2oc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)cc2c1 783077445 QUEHIHDSLVXJJV-LBPRGKRZSA-N 431.673 5.118 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)c1=S 784013225 VJTSVXJSSOXYII-PGRDOPGGSA-N 435.597 5.101 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(CCCC#N)C2=O)c1 784117509 GVVLQWBLAZFJNG-OAQYLSRUSA-N 448.592 5.184 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cccc(OCC(F)(F)F)c3)n2)cc1 784496994 ARUHZJCSQRCZKI-GOSISDBHSA-N 446.450 5.179 30 20 IKED CCCCC[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1 787483344 MLUOMPWTOPYFNH-QHCPKHFHSA-N 432.568 5.713 30 20 IKED Cc1nc(CC2CC2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 789342433 JMXCUFGUTXHFRP-SFHVURJKSA-N 431.517 5.158 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1nccc2ccccc12 792101960 CVMPZDRQDYXATG-PMACEKPBSA-N 438.314 5.023 30 20 IKED C=CCC[C@H](NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1)c1ccccc1 793009613 LTPUJPMDFBSXPS-VWNXMTODSA-N 435.568 5.042 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)s1 797570568 HURATRATYYSEKF-ZDUSSCGKSA-N 425.432 5.041 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NCCCC2(C#N)CCOCC2)c(C(F)(F)F)c1 798388988 ZGLVKHXQFFQUQB-UHFFFAOYSA-N 427.467 5.565 30 20 IKED N#C[C@@H](C(=O)CN1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1)c1nc2ccccc2s1 801589503 QEUVVLPVPGIQOX-HRAATJIYSA-N 447.457 5.062 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cc(Cl)ccc2C(F)(F)F)ccc1OC 806667645 HLYPWNJHPAOFJP-AWEZNQCLSA-N 441.837 5.370 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(C(F)(F)F)cc(Cl)n1 810094039 RPIYFJPTBRFWKU-BQBZGAKWSA-N 442.709 5.393 30 20 IKED Cc1nc(Sc2nnc(CSc3nc4ccccc4s3)n2C)c(Cl)cc1C#N 812450764 CQNOCVNXJUWOLC-UHFFFAOYSA-N 444.998 5.097 30 20 IKED CN(Cc1cccc(C#N)c1)Cn1nc(-c2ccccc2F)n(Cc2ccccc2)c1=S 914783406 MRSKEZKDGHYIBM-UHFFFAOYSA-N 443.551 5.230 30 20 IKED CCOc1cc(/C=C\C(=O)c2cc(Cl)ccc2Cl)ccc1O[C@H](C)C(=O)N(C)C 916137619 XPZCRHMKUQNJOJ-LBIZBFCRSA-N 436.335 5.144 30 20 IKED Cc1ccccc1-c1nnc(S)n1N=Cc1c(C)nn(-c2cccc(Cl)c2)c1Cl 916342191 XWSIRFDWZDLLSZ-UHFFFAOYSA-N 443.363 5.225 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc2c(s1)CCCCCC2 916883450 KLHIJJWQUQEMOK-MRXNPFEDSA-N 434.533 5.683 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cn(Cc2ccccc2)c2ccccc12 916923444 OTRWDPJRWBCXJN-NRFANRHFSA-N 437.499 5.049 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2c(s1)-c1ccccc1CC2 916927780 NQAHBZUWJPJCEJ-INIZCTEOSA-N 441.339 5.782 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCCCc2nc3ccccc3s2)cc1Cl 916938472 MQBWLYCGUBQKPD-OAHLLOKOSA-N 441.940 5.019 30 20 IKED COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1F 916997723 YJJMGIXBURCMSS-CQSZACIVSA-N 435.307 5.684 30 20 IKED N#CCc1ccc(OCc2cccc(NS(=O)(=O)C3=Cc4ccccc4CC3)c2)cc1 917749451 KKXDRQDIMQUPCJ-UHFFFAOYSA-N 430.529 5.061 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cccc(-n2nccc2-c2ccccc2)c1 920325095 YKMKCGOFMBCGPM-HXUWFJFHSA-N 440.890 5.154 30 20 IKED CCOc1ccc(OC(C)(C)C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920807023 WBBUTXJBAWFVRE-INIZCTEOSA-N 442.487 5.521 30 20 IKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)CC(F)(F)F)cc2)CCC1 1787877531 NRZQJDHFCRMUFA-UHFFFAOYSA-N 438.566 5.124 30 20 IKED Cc1ncccc1C(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789508863 ROKXPKPARMJLKQ-UHFFFAOYSA-N 447.655 5.189 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4cnccc4n3)CCC2)cc1 1789626236 GHDINBZONCYLAF-UHFFFAOYSA-N 442.563 5.370 30 20 IKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)c(F)c(Cl)c4)CCC3)cc2)CCC1 1792234064 GTJHGESZTAZUOA-UHFFFAOYSA-N 443.881 5.060 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1ccc(C)cc1 1796468381 ARCKHLQTXXYZQS-NUNAXRQHSA-N 445.607 5.301 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)c1 1797879158 OSLGGUCAVIQREC-RGFGEPETSA-N 447.623 5.172 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3ccoc23)[C@@H]1c1cccnc1 1802499022 FKBIXATXHBLIDM-FYYLOGMGSA-N 445.563 5.140 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C(C)=C/c2cccs2)[nH]n1 1819300869 LDBMAZZZTGSDOH-JLAJQXPRSA-N 438.597 5.335 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)oc2C(F)(F)F)CC1 1825962039 BYUOEWBFLFEEFN-BEFAXECRSA-N 440.506 5.052 30 20 IKED CC[C@H](C)CC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828904597 YWKIRNVZGAXCQD-JTHBVZDNSA-N 432.725 5.093 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC)c(F)c2)CC1 1829068215 KSXTUADBWPRJTE-QFIPXVFZSA-N 444.591 5.060 30 20 IKED COc1ccc(-n2c(S[C@@H](C)C#N)nnc2-c2cc(Cl)ccc2OC)cc1Cl 8759897 AUGOVCXHBWNGDP-NSHDSACASA-N 435.336 5.262 30 20 IKED Cc1cccc(N/C(S)=C(\C(=O)c2cc(C)n(C)c2C)[n+]2ccc(C(C)(C)C)cc2)c1C 10167941 BXBPEUSJXZGWSD-UHFFFAOYSA-O 448.656 5.895 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 10173170 XKAMAEMETDUUCQ-UHFFFAOYSA-O 439.551 5.909 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nc2sc3c(c2c1=O)CCC3 17652977 XUPJWSWZWYCEFD-NSHDSACASA-N 442.591 5.098 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2)nnc1-c1ccc(Br)cc1 21927660 AKKXTDXZBMGRMR-CQSZACIVSA-N 443.370 5.013 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(C)s2)=C(\S)Nc2cccc(C(F)(F)F)c2)c1 22693605 NKHCKAFYAQNVTR-UHFFFAOYSA-O 435.516 5.722 30 20 IKED N#CCc1ccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 28250555 NNAOULJLPFVZBI-UHFFFAOYSA-N 426.907 5.440 30 20 IKED CCOc1cc(-c2nnc(SCc3cc(C#N)ccc3F)o2)cc(OCC)c1OCC 29871681 CEFDHHRCTCNMJI-UHFFFAOYSA-N 443.500 5.236 30 20 IKED C=CCn1c(SCC(=O)N[C@@H]2CCCc3ccccc32)nnc1-c1ccc(Cl)cc1 36627078 DTNSKXBONNTRGS-HXUWFJFHSA-N 438.984 5.070 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)nnc1C1CC1 36802518 AYSAHHQULTYZJW-MRXNPFEDSA-N 445.592 5.589 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(Oc3cccnc3)cc2)cc1 60351436 PGKDLYWKUVZHOK-UHFFFAOYSA-N 437.455 5.799 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 62414027 OVKXVFIRMVOMIH-UHFFFAOYSA-N 437.927 5.543 30 20 IKED C=CCNC(=O)Nc1ccc(NCc2csc(COc3ccc(Cl)cc3)n2)cc1 237767202 VMFXAGOOWMXTRX-UHFFFAOYSA-N 428.945 5.295 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C1CC1 303412464 VDRYDWRURNVXLK-INIZCTEOSA-N 447.526 5.560 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c1-c1ccccc1 428945018 JPHXKZMIISNXKG-UHFFFAOYSA-N 433.471 5.380 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1 433741178 VDAYQXZALUCXTO-PZJWPPBQSA-N 434.446 5.456 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)c1cc(C#N)oc1C 435457239 DLPZTJVGGRKUQT-JTQLQIEISA-N 430.327 5.145 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H](COCc2ccccc2)C1 437850417 NEWYQRHSULSCJC-QHCPKHFHSA-N 441.531 5.730 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ccnc(Oc2ccccc2Br)c1 438365359 BTPOXAYYUMLMQO-UHFFFAOYSA-N 437.297 5.172 30 20 IKED CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438656195 OPNAWMWMEIDQFV-UHFFFAOYSA-N 448.454 5.840 30 20 IKED C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 441396632 CSVPCZNIKFXGAX-BRWVUGGUSA-N 444.000 5.181 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4c(C(C)C)nn(C)c4s3)n2)cc1 442865194 SQZMYHAWSUWMMK-INIZCTEOSA-N 436.562 5.380 30 20 IKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 443891465 HGFBWZDEMMMNTB-UHFFFAOYSA-N 440.208 6.100 30 20 IKED Cc1ccc(-n2nc(C)c(NC(=O)CNc3ccccc3S[C@H](C)CC#N)c2C)cc1 444401197 WBMOIPIOSUROLY-QGZVFWFLSA-N 433.581 5.242 30 20 IKED C=CCC[C@H](NC(=O)N[C@H](c1cnn(C)c1)C(F)(F)F)c1ccc(C(F)(F)F)cc1 446461454 ASXWQLURPYWIFI-JKSUJKDBSA-N 434.384 5.049 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)cc1 446951362 GAHAPEZHGCECFP-DEOSSOPVSA-N 440.547 5.067 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCc1nc(C)c(-c2ccc(Cl)cc2)o1 464908554 VEZJYICUMGNMJB-UHFFFAOYSA-N 436.968 5.964 30 20 IKED C[C@@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(C(F)(F)F)cc1 468284736 FYMQKNUOQVQYEY-HNNXBMFYSA-N 425.410 5.298 30 20 IKED CN(Cc1c(Cl)cccc1Cl)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470531936 NFIAWFDYQNBQOL-UHFFFAOYSA-N 445.350 5.240 30 20 IKED CCC[C@@H](CCc1ccccc1)NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470537585 JFIVMMHTJMTIJK-QFIPXVFZSA-N 432.568 5.193 30 20 IKED CC(C)c1nnc(CCC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)o1 473514356 UOYZFNPIGJZLAO-UHFFFAOYSA-N 444.413 5.447 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)cc1C 475914532 ADJYRBIMZRSJQT-LJQANCHMSA-N 449.624 5.802 30 20 IKED COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)C[C@H](CC#N)c2ccccc2)c1 476325066 XOZGPSVUCIFMRY-NRFANRHFSA-N 428.488 5.078 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)n2)cc1 477784771 AZXWPHNYEOQRLC-OAQYLSRUSA-N 436.496 5.668 30 20 IKED N#C[C@@H](C(=O)c1ccc(Br)cc1C(F)(F)F)c1ccc(C(F)(F)F)cn1 477836159 CQJLQMFMDDPKSO-LLVKDONJSA-N 437.137 5.372 30 20 IKED COc1ccc(C(=O)Nc2c(C#N)c(SC)nn2-c2ccccc2)c(OC2CCCC2)c1 477842668 PUNIWGPQQBACJE-UHFFFAOYSA-N 448.548 5.048 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(C#N)ccc1Cl 479497331 LEIFRJXIBKSIEC-UHFFFAOYSA-N 445.875 5.037 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 480538855 JKKJZKCQBHCYKB-IFXJQAMLSA-N 433.936 5.336 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nc(C)c(C)n1C1CCCCC1 480626321 YIBJFTLTRRZHTL-IBGZPJMESA-N 440.613 5.441 30 20 IKED CN(CC(F)(F)F)C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 480655965 YKMHMALDJZVQBG-LNRGQDRPSA-N 425.335 5.129 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]3Cc3ccc(F)cc3)cc2F)c1 481747783 XCUZYBWNVIXDDP-HSZRJFAPSA-N 447.485 5.654 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2cc3ccccc3o2)o1 484725965 KMQCGPIQMXCYGL-CQSZACIVSA-N 425.535 5.240 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3cccc(COc4ccc(F)cc4)c3)CC2)c1 486386367 HCOWYKXMHOPUKG-UHFFFAOYSA-N 445.494 5.352 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(Cc2c(F)cccc2Cl)o1 488870943 UNDOMQLZTFLZLD-UHFFFAOYSA-N 449.960 5.462 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccc(C)cc2)n1CC 488901118 RTPWAIKNVMADNQ-QGZVFWFLSA-N 426.611 5.030 30 20 IKED C=CCN(CCc1ccco1)Cc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 491296678 RUAKWEIEKGMSCD-UHFFFAOYSA-N 449.498 5.670 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N(Cc3ccccc3)[C@H](CO)C3CC3)c2)cc1 491982408 XKNTWYHRWUJCMB-RUZDIDTESA-N 427.504 5.156 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)NCC(C)(C)CCC#N 497725180 IMGQZZGRMOQWLP-AWEZNQCLSA-N 449.418 5.571 30 20 IKED N#Cc1ccc(-n2nccc2NC(=O)c2oc3ccccc3c2COc2ccccc2)cc1 497902539 BIXOHKXRSCRGPB-UHFFFAOYSA-N 434.455 5.321 30 20 IKED C=CCCc1ccccc1NC(=O)N[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 505029299 MTZNXNBEZHUENL-LJQANCHMSA-N 431.536 5.671 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 505187971 ZIABRGUDFBILFF-UHFFFAOYSA-N 425.410 5.449 30 20 IKED N#C[C@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1c(Cl)cccc1Cl 505534858 ZHEUCHIHNSYGFN-HNNXBMFYSA-N 435.698 5.010 30 20 IKED Cn1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc2ccccc2c1=O 506478215 SNGCRHKYFLCKNI-NRFANRHFSA-N 427.891 5.100 30 20 IKED C=CCOc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(OCC=C)c3)s2)c1 509115296 YORYARUNBBTUMI-UHFFFAOYSA-N 434.517 5.382 30 20 IKED C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510253429 JKFLRTOYABWSOD-GFCCVEGCSA-N 445.520 5.205 30 20 IKED COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 512334778 YNVIPKDOGVVQLF-LJQANCHMSA-N 427.504 5.511 30 20 IKED N#C[C@@H](C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)c1nc2ccccc2[nH]1 513673302 ZZPVQBKMNBBFCM-SFHVURJKSA-N 429.911 5.161 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1nnc(SCc2ccccc2)s1 515157752 BJAGPSTZLSBBIF-UHFFFAOYSA-N 442.614 5.218 30 20 IKED N#C[C@@H](C(=O)c1ccccc1SCc1cscn1)c1nc2ccccc2n1C(F)F 515539113 DYQVIORKDJMXFB-HNNXBMFYSA-N 440.500 5.670 30 20 IKED C[C@@H](Sc1ccc(Br)cc1)C(=O)N(Cc1ccco1)c1ccccc1C#N 515636854 OAUXOWZCJVRFDK-OAHLLOKOSA-N 441.350 5.628 30 20 IKED CC(C)(C)c1noc(CCCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1 515722980 JDUOQERUKSVHEL-UHFFFAOYSA-N 438.915 5.646 30 20 IKED C[C@H](Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)NC1(C#N)CCCCC1 515761140 KCQSGRIWRYITGQ-AWEZNQCLSA-N 433.339 5.324 30 20 IKED C=CCn1c(-c2cccc3ccccc23)nnc1N1CCC(c2ncc3n2CCCC3)CC1 516997776 KVJUZIRBQPKXRQ-UHFFFAOYSA-N 438.579 5.201 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 517472728 AMYQCUUBJYDIHA-MRXNPFEDSA-N 441.984 5.719 30 20 IKED CC(C)[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc2c(c1)OCCO2 518768821 AUZRMNLMQGQOBT-HHHXNRCGSA-N 428.532 5.395 30 20 IKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1cc(F)ccc1F 519431836 RMGSVMHBPYNPOO-LLVKDONJSA-N 429.414 5.428 30 20 IKED C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1SCCC#N 520846828 LFIAOHPBMINNEC-GOSISDBHSA-N 449.601 5.482 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)NC(=O)CC1CCCCC1 522018689 ZBUWPCSOXGETBY-LJQANCHMSA-N 435.543 5.014 30 20 IKED C=CCn1c(SCc2nnc(-c3c(Cl)cccc3Cl)o2)nnc1-c1cccnc1 522477376 KEYCCMHEVDNMKM-UHFFFAOYSA-N 445.335 5.175 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CSc2nc3cc(Cl)cc(C)c3o2)cc1 522685641 ONRRACOKFCDPND-UHFFFAOYSA-N 429.929 5.227 30 20 IKED COc1cc2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)[nH]c2cc1OC 522820130 TXTBXPCLUDTXOB-UHFFFAOYSA-N 441.487 5.197 30 20 IKED C=CCN(C(=O)c1nc(C)ncc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 525111086 HNBBVZYHIJFUNF-UHFFFAOYSA-N 439.755 5.702 30 20 IKED Cc1ccc2c(C3=CCN(CC(=O)Nc4ccccc4S[C@H](C)CC#N)CC3)c[nH]c2c1 533351217 JFHYUTLVWPWVJK-LJQANCHMSA-N 444.604 5.598 30 20 IKED N#C[C@H](C(=O)c1cc(-c2cccnc2)nc2ccccc12)c1nc2ccccc2n1C(F)F 535404057 SKOYAIYKDTYEGU-GOSISDBHSA-N 439.425 5.532 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc3ccccc3cc2OC(F)F)c1C 535620546 LXARSRIWTKQZGD-UHFFFAOYSA-N 432.430 5.368 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(-c2ncco2)ccc1C 536258837 SIUORYXABJPFPG-UHFFFAOYSA-N 444.304 5.772 30 20 IKED Cc1cc(NC(=O)N(Cc2ccc(-c3cccc(F)c3)s2)C(C)C)nn1CCC#N 537512272 CVARPBBXWURPFF-UHFFFAOYSA-N 425.533 5.415 30 20 IKED COc1cc(CN[C@H](C)c2cccc(-n3cccn3)c2)ccc1OCc1cccc(C#N)c1 538189375 XXWOKTAVVXSGEZ-HXUWFJFHSA-N 438.531 5.182 30 20 IKED N#CC1(c2ccc(C(=O)N(Cc3ccc(Cl)c(Cl)c3)Cc3ccccn3)cc2)CC1 538533189 ZGMHEJNSAWMFOF-UHFFFAOYSA-N 436.342 5.786 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@@H]2CCC(C)(C)c3cccc1c32 540686121 XPQIKRVXLRDFDX-LLGFUMIMSA-N 447.604 5.293 30 20 IKED CCOC(=O)c1ccc(C#N)c(SCc2cc(-c3c(OC)ccc4ccccc34)no2)n1 540860259 VSZNOATVWOUHCC-UHFFFAOYSA-N 445.500 5.239 30 20 IKED C[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O)c1ccc(-c2cccc(C#N)c2)cc1 542470846 SASNYNNSLJJVKU-YPPSFJALSA-N 431.580 5.257 30 20 IKED CC[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1nc(C(F)(F)F)cs1 542568652 KJKHQTWULRWOBR-OLZOCXBDSA-N 442.532 5.236 30 20 IKED C[C@@H](NCc1nc(-c2cc(F)c(F)c(F)c2)no1)c1ccc(-c2cccc(C#N)c2)cc1 543874864 UMSNRCHHMGIULO-CQSZACIVSA-N 434.421 5.543 30 20 IKED CC(C)(C)c1nc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)no1 543981152 FVWSFUSWWDJEMZ-LBPRGKRZSA-N 449.317 5.798 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@@H](c3ccc(Cl)cc3)C3CCCC3)CC2)o1 545986382 BOTIFHIUDCALFV-JOCHJYFZSA-N 440.975 5.114 30 20 IKED C[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1cccc(NC(=O)Cc2ccccc2F)c1 548610142 ZWKIKQJTUNISPV-HNNXBMFYSA-N 435.886 5.023 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)N[C@](C)(C#N)C3CCCCC3)c2)cc1 550747492 GCIXLGFGJZHIPM-HHHXNRCGSA-N 432.564 5.380 30 20 IKED C=CCSc1ccccc1C(=O)Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1 553984929 YQSZGYCBIHMHNT-UHFFFAOYSA-N 438.574 5.159 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)CCc1nnc(-c2cc3ccccc3o2)o1 554865994 WIUOJTSJGSGKNH-UHFFFAOYSA-N 448.482 5.520 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1)[C@H]1C[C@H]1C 563563739 DKMKEYUXWQKNIP-DWXRJYCRSA-N 439.515 5.151 30 20 IKED N#Cc1ccc(C(=O)CNC(=O)c2oc3ccccc3c2COc2ccccc2Cl)cc1 568376337 BBBWNSHWXFEALJ-UHFFFAOYSA-N 444.874 5.150 30 20 IKED Cc1c(NC(=O)c2cc(F)cc(C(F)(F)F)c2)nnn1Cc1ccc(C(F)(F)F)cc1 568537011 ZZQMNDQCIAMKFG-UHFFFAOYSA-N 446.326 5.064 30 20 IKED N#Cc1ccc(N2CC[C@H](C(=O)Nc3ccccc3-c3cc(F)c(F)c(F)c3)C2)c(F)c1 571749812 WRMLLZQZKPKGTO-HNNXBMFYSA-N 439.412 5.247 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1oc2ccccc2c1COc1ccccc1 576138275 NRUWCAHKEQUPIT-UHFFFAOYSA-N 431.488 5.316 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCc4[nH]c5ccc(F)cc5c4C3)c2)cc1 581623387 HUKYKDMLGODMCG-UHFFFAOYSA-N 426.451 5.561 30 20 IKED C[C@H](NC(=O)C(=O)N[C@@H](C)c1cc2ccccc2o1)c1ccc(-c2cccc(C#N)c2)cc1 585692089 KWMBDORUGNGDQD-ROUUACIJSA-N 437.499 5.026 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(Cc4ccc(F)cc4)n3)n2)cc1 589019583 XCPFTSPFJXKXMA-SFHVURJKSA-N 444.516 5.358 30 20 IKED CN(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[C@H]1CCCc2ccccc21 603829288 CGRVLGZTHBRREZ-IBGZPJMESA-N 435.578 5.243 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl 604342914 HSVBKCKCQZSHBR-UHFFFAOYSA-N 438.858 6.485 30 20 IKED CN(Cc1nccn1Cc1ccccc1)C(=O)Nc1cccc(C#Cc2cccs2)c1 608273256 RDWMLWDZJGJAPG-UHFFFAOYSA-N 426.545 5.057 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 609061028 PZSOMNFODFWEQO-UHFFFAOYSA-N 427.416 5.352 30 20 IKED COc1ccc2c(c1)CCCN(C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)C2 609137895 VLPPDFYOVWUXCX-DEOSSOPVSA-N 445.950 5.984 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)COc3ccc(Oc4ccccn4)cc3)c2)cc1 609177520 ZTKDNJPHYPNWMY-UHFFFAOYSA-N 437.455 5.555 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N[C@H](C#N)c1ccc(Cl)cc1 609287162 VLXHXVBKVCEMFD-HXUWFJFHSA-N 447.753 5.373 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NCC3CCN(Cc4ccccc4)CC3)cc2)cc1 609516439 JRJDJSGDQKDYNM-UHFFFAOYSA-N 439.559 5.187 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1c(C)ccc2ncccc12 609542096 KVAIEVGIVYUTCS-UHFFFAOYSA-N 445.519 5.258 30 20 IKED C[C@@H](CC(=O)N[C@H](C#N)c1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 609986260 DUEPEOIRNNDJDD-YVEFUNNKSA-N 425.248 5.343 30 20 IKED C[C@@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1nc(-c2ccncc2)cs1 609989493 GGTMUYAZLIXTSQ-MRXNPFEDSA-N 425.517 5.311 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C[C@H](C)c2cccc(C(F)(F)F)c2)c1C 610053466 FJZYESGNWGBYTI-AWEZNQCLSA-N 426.442 5.512 30 20 IKED CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 610093790 SDKNSUGIJOHDOE-JOCHJYFZSA-N 434.927 6.404 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3ccccn3)CC2)cc1Cl 611093874 LFEWHYFDLOEYEZ-QFIPXVFZSA-N 430.939 5.802 30 20 IKED Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 611124840 CJLXRWJCXUROSJ-MRXNPFEDSA-N 435.553 5.859 30 20 IKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)nnc1C1CC1 613906521 MGMLXXWEDVSSFY-QGZVFWFLSA-N 437.396 5.104 30 20 IKED CC(C)(C)c1ccc(C(=O)Nc2ccccc2NS(=O)(=O)c2cccc(CC#N)c2)cc1 619461658 LMIIAAQMATVISU-UHFFFAOYSA-N 447.560 5.103 30 20 IKED N#CC1(CCC[S@](=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCOCC1 619589498 HJUZSXUFCVUOCE-NDEPHWFRSA-N 436.404 5.932 30 20 IKED O=C(c1cnc(-c2ccc(F)c(F)c2)s1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 679467665 LCMAHADKQOHKOF-NXEZZACHSA-N 444.347 5.291 30 20 IKED COC(=O)Nc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 726073989 MQYNEAVNLHSNRO-UHFFFAOYSA-N 432.455 5.110 30 20 IKED COCCCC(=NNc1ccc(Cl)c(C(=O)O)c1)c1ccc(Br)cc1 727250827 XPBGWVAYUZKEGV-UHFFFAOYSA-N 425.710 5.044 30 20 IKED Fc1cc(Br)ccc1NN=Cc1cn(-c2ccccc2)nc1-c1ccncc1 728432772 ARNQAULOOHTBNI-UHFFFAOYSA-N 436.288 5.282 30 20 IKED COc1ccc(OCc2nc(/C=C\C(=O)c3oc4ccc(OC)cc4c3C)cs2)cc1 729149365 DHQSSDJTLKYOEG-WMZJFQQLSA-N 435.501 5.690 30 20 IKED COc1cccc([C@@H](C#N)NC(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)c1OC 729434558 QDKPANVNJFOTQL-QGZVFWFLSA-N 426.925 5.389 30 20 IKED CCC(CC)CN(CCC#N)Cn1nc(-c2cccnc2)n(-c2ccccc2C)c1=S 729470334 ILIWJTWGCBMNKI-UHFFFAOYSA-N 434.613 5.383 30 20 IKED Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccccc3SC[C@H](C)C#N)c2Cl)cc1 730988728 BWXRPCJOIUYDMC-MRXNPFEDSA-N 438.984 5.706 30 20 IKED N#C[C@@H](C(=O)CCCCCc1cccs1)c1nc(O)c2c3c(sc2n1)CCCC3 731545769 DVUCFVYDXWACIJ-INIZCTEOSA-N 425.579 5.317 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2N(C)Cc2ccccc2)c1 733844644 RTEAJJJAMGYKCM-QFIPXVFZSA-N 428.536 5.326 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3nc(-c4ccc(F)cc4)ns3)c2)c1 734326577 HXHRYXZXOVMHMZ-UHFFFAOYSA-N 430.464 5.047 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N[C@@H](c2ccccc2)C2CCOCC2)c1 734350803 SHBDVAQWNJVRQH-SANMLTNESA-N 426.516 5.035 30 20 IKED Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 734646817 RWECBMKPICIECE-UHFFFAOYSA-N 428.536 5.028 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)CCCc3nc(-c4cccs4)no3)c2)s1 739598796 JOCNKYNSFVZHAQ-UHFFFAOYSA-N 434.546 5.037 30 20 IKED C=CCCCCCN(C)C(=O)c1ccccc1NC(=O)c1ccccc1Br 739799553 DNZWOAVIAOMTHS-UHFFFAOYSA-N 429.358 5.520 30 20 IKED COC(=O)[C@H](Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1)c1ccc(C#N)cc1 739996250 SUXADWHIVXEWBB-JOCHJYFZSA-N 440.421 5.482 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccccc3CN3CCSCC3)c2)s1 740444513 PHTUWOQCUVZDKN-UHFFFAOYSA-N 448.617 5.157 30 20 IKED Cc1cccc2c(CC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)c[nH]c12 741430729 LSDKMBKUTACHDE-QGZVFWFLSA-N 440.355 6.326 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN(CC)[C@@H](Cc2ccc(F)cc2)C(C)C)c1=S 743399871 OHXWQBVAIGBYQA-QFIPXVFZSA-N 439.604 5.348 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)CCCc3ccc4c(c3)-c3ccccc3C4)o2)c1 744892471 NWGMISBVFMAHCD-UHFFFAOYSA-N 435.483 5.246 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1c[nH]cc1-c1ccc(F)cc1 745268637 OEYPXWXGNNCZSY-OAHLLOKOSA-N 437.496 5.011 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)cc1 746126365 YBIOXLXDNRQQLU-JOCHJYFZSA-N 442.906 5.617 30 20 IKED N#Cc1cc(NC(=O)c2ccc(Oc3ccccc3Cl)cc2)ccc1N1CCC(O)CC1 746890970 BXJHLPCGPHBIIM-UHFFFAOYSA-N 447.922 5.217 30 20 IKED FC(F)(F)c1ccccc1ON=Cc1sc(N2CCOCC2)nc1-c1ccccc1 754712862 VZQTYBZOUVDDCF-UHFFFAOYSA-N 433.455 5.078 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 755878371 NWISUJBEFDFYTF-QGZVFWFLSA-N 434.323 5.264 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cncc(-c2ccc(Cl)cc2)c1 757873574 DUKNTLYBPOZNPA-QGZVFWFLSA-N 428.250 5.156 30 20 IKED C/C(=C/c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 758874383 WZXONAPWICXMDB-UGEDRFTOSA-N 428.941 5.319 30 20 IKED COC(=O)Nc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc(C(F)(F)F)c1 763371631 ZNAKEOFAKPPZDU-GFCCVEGCSA-N 437.443 5.530 30 20 IKED COc1ccc2c(c1)[C@H](C(=O)[C@@H](C#N)c1nc(-c3ccc(Cl)cc3Cl)cs1)CC2 763944143 NSXRKTBYNDUBTF-CRAIPNDOSA-N 443.355 6.032 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 767765020 XKPJKIODXSRHLT-RDJZCZTQSA-N 433.499 5.979 30 20 IKED Cc1ccc(-c2csc3nc(/C(Cl)=C/c4ccc(C#N)cc4F)nc(O)c23)s1 772798663 XEIDCKNLNLVMDY-AUWJEWJLSA-N 427.913 6.182 30 20 IKED C[C@@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)c1nnc(-c2ccc(Cl)cc2Cl)o1 777177848 RKLMUHBVTRCAKN-GFCCVEGCSA-N 428.275 5.517 30 20 IKED COc1cccc([C@@H](C)CCCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 789410543 XYFJQONTQKOLBQ-JTSKRJEESA-N 429.545 5.841 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 789889914 ORIYMIKNTXLRGX-XXBNENTESA-N 436.596 6.379 30 20 IKED C=CC[C@H](OC(=O)C1CCN(C(=O)c2cccnc2)CC1)c1ccc(Cl)c(Cl)c1 797566417 JOHNGHHKYCHWNT-FQEVSTJZSA-N 433.335 5.101 30 20 IKED C=CC[C@H](OC(=O)/C=C\c1cc2cnn(C(C)C)c2[nH]c1=O)c1ccc(Cl)c(Cl)c1 797566934 VYQLIIWSJRPDQH-FUKPKEADSA-N 446.334 5.486 30 20 IKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC(OCc3ccccc3)CC2)c1=S 798219649 MTKCTNHYSNPRBM-UHFFFAOYSA-N 438.572 5.045 30 20 IKED CN(c1ccc(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1F)C1CCCCC1 800005688 SQJWXSVHLVFNJH-UHFFFAOYSA-N 435.547 5.079 30 20 IKED C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)Nc1ccc(OCC(F)(F)F)c(F)c1 800497730 QOKJMECHLFWFOA-LLVKDONJSA-N 438.343 5.615 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(-c3ccccc3)c(C)n2)ccc1OC 810274573 VETBYRGATIZCIX-HXUWFJFHSA-N 430.508 5.068 30 20 IKED CC(C)(C(=O)[C@H](C#N)c1nc2ccccc2s1)c1csc(-c2cc(F)ccc2F)n1 810520073 AAFDKJGVUATJHJ-AWEZNQCLSA-N 439.512 5.852 30 20 IKED N#CC(CCOC(=O)C1CCC(OC[C@@H]2CCCO2)CC1)(c1ccccc1)c1ccccc1 815342794 DUYZODVCJSOVQJ-BOPKNSRXSA-N 447.575 5.184 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 915200319 YREWUJOZFOYJPJ-RUZDIDTESA-N 438.531 5.225 30 20 IKED Cc1ccccc1-c1nnc(S)n1N=Cc1cc(C)c(OCc2ccccn2)c(C)c1 915953343 KTHTZZAVYOGJBH-UHFFFAOYSA-N 429.549 5.015 30 20 IKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(C2CCCC2)C1=O)Nc1ccc(F)cc1F 916206561 SLYPCDMTNMJXOJ-LJQANCHMSA-N 447.482 5.007 30 20 IKED Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=Nn1c(S)nnc1-c1cccc(Cl)c1 916344850 NXOFECUOHZQPPX-UHFFFAOYSA-N 447.326 5.056 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(-c2cccs2)n1 916907451 IADKKXTVUFVCOT-MRXNPFEDSA-N 445.525 5.625 30 20 IKED COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1F 916997722 YJJMGIXBURCMSS-AWEZNQCLSA-N 435.307 5.684 30 20 IKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN2CCC[C@H]2c2ccccc2C)c1=S 917482958 OOUVLXJZUFMCLV-REWPJTCUSA-N 448.592 5.216 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2c[nH]c3cc(Cl)ccc23)cs1 920068974 WYUYYXLROHFZID-UITAMQMPSA-N 439.899 5.998 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(C(F)(F)F)cnc3O)cc2Cl)c1 1136585490 HBAQDMMPZKGPDU-UHFFFAOYSA-N 447.800 5.162 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)/C=C/c4cc5ccccc5o4)cc3)CCC2)C1 1789115029 ZDRLZZUZFGJXJW-VAWYXSNFSA-N 426.516 5.546 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCc5ccccc54)cc3)CCC2)cc1 1791692986 HXXMGLAUOFNAEL-SANMLTNESA-N 449.554 5.230 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(C)ccc2C)cc1 1800513810 VFXUHABPGYLAIU-RHHYMUMYSA-N 447.623 5.338 30 20 IKED Cc1ccc(-c2ccccc2C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](C)S)[nH]n2)cc1 1821225914 RCANRBQEUHYQTG-JTSKRJEESA-N 448.592 5.009 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C(C)(C)C)oc3C)CC2)C1 1823698653 ZXPMZENPPXRQFX-JOCHJYFZSA-N 426.601 5.085 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(C)ccc3[nH]2)CC1 1828119235 XVSYRTKPMANJDB-AREMUKBSSA-N 447.623 5.478 30 20 IKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C)c2Cl)CC1)C(F)(F)F 1831455477 SLMKSJIUUVXRNJ-SFHVURJKSA-N 442.909 5.000 30 20 IKED CCc1cccc(C)c1/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)S1 16939087 HLLJWIDFIGNNBT-MRXNPFEDSA-N 449.548 5.120 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2C2CC2)cc1 26754299 DTHCRMOIKNQBEH-MRXNPFEDSA-N 437.594 5.077 30 20 IKED CCN(C(=O)c1csc(-c2cc(Br)cs2)n1)[C@H](C)c1ccc(C#N)cc1 58233227 KKKIFVUPLDNHTE-GFCCVEGCSA-N 446.395 5.729 30 20 IKED N#C[C@@H](C(=O)c1cccn1Cc1cccs1)c1nc(-c2c(F)cccc2F)cs1 64715422 NVIXOXZXONVUHI-AWEZNQCLSA-N 425.485 5.490 30 20 IKED C=CCn1c(SCC(=O)NC(C)(C)CCC)nnc1-c1ccc(Cl)cc1Cl 65042976 IIHSLZHSULPBOR-UHFFFAOYSA-N 427.401 5.225 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2csc(Cc3ccccc3)n2)cc1 108732720 XLZQZTMDUNWUAV-UHFFFAOYSA-N 441.531 5.587 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nnc1-c1ccccc1 303291483 MMUGGLBYZNMIIF-QGZVFWFLSA-N 449.605 5.114 30 20 IKED C=CC[C@H](C(=O)NC1CCC(NC(=O)[C@@H](CC=C)c2ccccc2)CC1)c1ccccc1 427629226 LRWVWNJHWMHDMB-HDLCADABSA-N 430.592 5.250 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)s1 430627158 SWXUQLKLLUVARF-IBGZPJMESA-N 446.601 5.871 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3c(Cl)cc(F)cc3Cl)c2)c1 431486590 RDOJXDHHXOECOS-UHFFFAOYSA-N 428.250 5.509 30 20 IKED C[C@@H](NC(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1nc(C(F)(F)F)cs1 433228413 WDSWNXNKJTZQQM-ZCFIWIBFSA-N 449.323 5.665 30 20 IKED Cc1nc(CSc2ccc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc2)cs1 436348523 YHUYYHKEXJPHFH-DHIUTWEWSA-N 433.602 5.656 30 20 IKED C=CCn1c(SCC(=O)N2[C@H]3CCC[C@H]2CC3)nnc1-c1ccc(Cl)cc1Cl 437955246 MLYNYTBCQIEYPR-GJZGRUSLSA-N 437.396 5.074 30 20 IKED O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)Nc1cccc(COCC(F)(F)C(F)F)c1 438621857 JYKNCVFEYDSFII-OCCSQVGLSA-N 444.391 5.594 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(F)cc2OC(F)F)cc1 438641901 OJENNJFRZNNHGI-UHFFFAOYSA-N 443.400 5.672 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)N[C@H](CCC#N)c3ccccc3)s2)cc1 438844823 YGROZLCESUYABY-DENIHFKCSA-N 432.593 6.174 30 20 IKED COc1ccc([C@H](NC(=O)NCC2CCC(C#N)CC2)c2ccccc2Cl)c(OC)c1 440988316 QTKWQAIOTCQIQB-PVWAMWICSA-N 441.959 5.076 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCn3c(cc4c(Cl)cccc43)C2)cc1 445236804 LFIMXJUGNDQQLD-UHFFFAOYSA-N 448.954 5.157 30 20 IKED CCO[C@H](C)c1nc(CC(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)cs1 460156141 SCQMFQLGPYRAKQ-MRXNPFEDSA-N 439.968 5.542 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)c1 460716812 IDJOHZLIFPDRPR-UHFFFAOYSA-N 435.483 5.364 30 20 IKED COCCOCc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 461913394 AIOOTBWSVPEVTN-UHFFFAOYSA-N 436.895 5.419 30 20 IKED CC[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 465267264 PUBUKOVWAFEBGX-HNNXBMFYSA-N 435.427 5.087 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c(F)cccc2Br)cc1 465433119 ZPNZOVNJRRUECQ-UHFFFAOYSA-N 441.256 5.513 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)NCCOc3ccc(C#N)cc3)s2)cc1 466108824 SFXUBHGIRLKOBP-GOSISDBHSA-N 434.565 5.080 30 20 IKED COc1ccc([C@H](NC(=O)Nc2ccc(CC#N)cc2)c2ccccc2Cl)c(OC)c1 466379269 WTSXIAKIFHUIDH-HSZRJFAPSA-N 435.911 5.334 30 20 IKED COc1ccc(Oc2ccc(CNc3ccc4c(c3)CCC(=O)N4CCCC#N)cc2)cc1 469026022 NLSCQIIVLXPTHL-UHFFFAOYSA-N 441.531 5.683 30 20 IKED Cc1cc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c(Br)s1 471210895 NSYHCQXKSRRAOE-UHFFFAOYSA-N 429.364 5.770 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 471274589 WXJBCPODLURTIE-ODIFPOPNSA-N 440.535 5.008 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)n1 474435989 UDSQAJGPJSMHHE-ZDUSSCGKSA-N 429.954 5.724 30 20 IKED Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)Nc1ccc(Cl)c(C#N)c1 477129762 VMSKCLCZZDHGSE-UHFFFAOYSA-N 443.732 5.088 30 20 IKED CCN(C(=O)c1csc(-c2cc(Br)cs2)n1)[C@@H](C)c1ccc(C#N)cc1 480059659 KKKIFVUPLDNHTE-LBPRGKRZSA-N 446.395 5.729 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)cc1 480596590 FSEJBARSQYPVCV-UHFFFAOYSA-N 427.476 5.356 30 20 IKED CN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)C1CCN(Cc2ccccc2)CC1 480849033 YPWZNLBVQILZBM-UHFFFAOYSA-N 441.600 5.446 30 20 IKED Cc1nc(-c2ccccc2)ncc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 483451156 UIYNMRILNFJUJX-GOSISDBHSA-N 430.920 5.719 30 20 IKED COCCOc1ccc(Cl)cc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 484566708 UMGMGWBDQBTPBB-AWEZNQCLSA-N 448.878 5.257 30 20 IKED C=CCN(CC1CCCCC1)C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 485333003 SQAIIHSDBNGPLN-UHFFFAOYSA-N 426.582 5.261 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3nc(-c4ccc(Cl)cc4)no3)o2)cc1 489783412 WDYNEESQVPNORY-UHFFFAOYSA-N 426.885 5.297 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)c3nc(N)c4c(C)c(C)sc4n3)o2)cc1 489784569 WOCAHVMJIJFWAI-ZDUSSCGKSA-N 439.566 5.358 30 20 IKED Cc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 498010935 FAKFAQFKVKMZJM-UHFFFAOYSA-N 426.925 5.094 30 20 IKED COC(=O)c1ccc(-c2csc(NC(=O)c3ccccc3-c3ccccc3C#N)n2)cc1 498724000 CUFXUPHKUHKUBC-UHFFFAOYSA-N 439.496 5.388 30 20 IKED N#C[C@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(Br)cc1 499424189 UQVPHOOWUAPWCE-ZDUSSCGKSA-N 440.149 5.965 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)CC 504584264 GZDKXDABFMGJRU-IBGZPJMESA-N 445.592 5.095 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 505017252 SULQSZJZYGWVEO-FQEVSTJZSA-N 435.572 5.069 30 20 IKED C=CCn1c(SC[C@H]2CCN(C(=O)c3ccccc3)C2)nnc1-c1ccc(Cl)cc1 509095446 DTZMXGYOFCGMSL-KRWDZBQOSA-N 438.984 5.039 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)[C@H]1CCCN(C2CCC2)C1 512769578 WRQOHZKGEBRAPF-REWPJTCUSA-N 446.595 5.220 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCC[C@H](COc3ccccc3Cl)C2)c1 513877766 DZORTYFUMORECJ-FQEVSTJZSA-N 426.944 5.078 30 20 IKED CN(CC(=O)Nc1cccc(Cl)c1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 517127344 YZGXBMNBMUCGRI-UHFFFAOYSA-N 434.883 5.106 30 20 IKED CCc1c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cnn1-c1ccc(C)cc1 517437194 KUTOYZMEKNZOMA-UHFFFAOYSA-N 449.514 5.119 30 20 IKED C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 518150432 WSHTUHVOGPHMOH-UHFFFAOYSA-N 441.556 5.040 30 20 IKED C=CCN(C(=O)c1cccc(CC#N)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 518173473 XNVZGVXXZQLAMS-UHFFFAOYSA-N 435.552 6.376 30 20 IKED Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)CCCCOc1cccc(C#N)c1 518372542 CTJNBCRDQIRICS-PMACEKPBSA-N 447.579 5.173 30 20 IKED Cc1cccc(Oc2ccc(NS(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)cn2)c1C 522362013 UUPNUMWNKRSEEN-UHFFFAOYSA-N 447.438 5.182 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)c1 523881637 KUVMIDCUVYDWHP-UHFFFAOYSA-N 445.906 5.492 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)Nc3ccc(OCC4CCOCC4)cc3)s2)cc1 524082849 KPGSKECBZWICNJ-UHFFFAOYSA-N 448.548 5.055 30 20 IKED CCn1cc(Br)cc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 524495991 DOVWXKIPBRNLOC-UHFFFAOYSA-N 442.288 5.113 30 20 IKED CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 532309546 RKGHSQUJUKXHOF-UHFFFAOYSA-N 445.544 5.092 30 20 IKED Cc1cc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)ccc1OC1CCOCC1 536934652 SLHBKBSYJVOWQI-UHFFFAOYSA-N 441.531 5.413 30 20 IKED C[C@H]1C[C@@H]1[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1 537224458 LWSVQRBPQYZQKO-VBOPQPRHSA-N 428.001 5.660 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCC2CCN(c3ccncc3)CC2)c1 538959591 NQPUVVAWDIXFOQ-UHFFFAOYSA-N 446.938 5.045 30 20 IKED C[C@@H](NC(=O)N[C@H](c1ccccc1)c1cccnc1)c1ccc(-c2cccc(C#N)c2)cc1 541157739 OPMFGTIHVMVKOC-NFQMXDRXSA-N 432.527 5.770 30 20 IKED N#Cc1c(F)cccc1-n1ccc(NC(=O)N(Cc2cccs2)Cc2cccs2)n1 543766733 GVNCSYNKGCLDBB-UHFFFAOYSA-N 437.525 5.240 30 20 IKED Cc1sc(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1-c1ccc(F)cc1 552344572 KXJGWVQIUZRXJT-UHFFFAOYSA-N 438.499 5.557 30 20 IKED CCCOCc1ccccc1CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 552846623 KHOKVKGGUSAQCM-UHFFFAOYSA-N 439.987 5.061 30 20 IKED CC(C)(CCC#N)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc2ccccc2c1 554792415 NRAFHQWGIGTPDE-QTJGBDASSA-N 431.580 5.059 30 20 IKED C[C@@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(Br)cc1F 558103905 JTAHGBOKVDEXIN-CQSZACIVSA-N 428.305 5.020 30 20 IKED N#CCCC[C@H](NC(=O)C(=O)Nc1ccccc1Sc1ccccc1)c1ccccc1 560283268 WJFYTQKRYVOCLH-NRFANRHFSA-N 429.545 5.328 30 20 IKED C[C@@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)Nc1cc(Cl)ccc1Cl 562232292 KMQPOUVKJXCREW-CYBMUJFWSA-N 427.291 5.491 30 20 IKED C=CCn1c(SC[C@H](C)C(=O)c2ccc(F)c(F)c2)nnc1-c1ccccc1OC 565100968 NKFKNRNKOYCRRG-AWEZNQCLSA-N 429.492 5.029 30 20 IKED CCc1nc2ccccc2n1C1CCN(Cc2ccc(OC)c(OCCCC#N)c2)CC1 567085999 ULGCMSPLDNWJGP-UHFFFAOYSA-N 432.568 5.127 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3cc4sc(N5CCCC5)nc4s3)cc2)ccn1 572536750 ZCIOGZNNPWGKCI-UHFFFAOYSA-N 447.545 5.269 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)cc1 591498113 XYKSZLSPBIIGAY-HNNXBMFYSA-N 438.528 5.056 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC[C@@H](c2cccc(F)c2)C1 591562169 WNCQUDDJPQDOQH-MGPQQGTHSA-N 426.376 5.234 30 20 IKED C[C@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1cccc(OCc2ccccn2)c1 601187794 RFCBHDQIOYATEU-NRFANRHFSA-N 448.526 5.338 30 20 IKED CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603623368 ULWOPYGPEBJLCO-UHFFFAOYSA-N 443.488 5.078 30 20 IKED Cc1nc(NC(=O)c2oc3ccccc3c2COc2ccccc2)sc1SCC#N 603774903 FJNZALYFTQORQQ-UHFFFAOYSA-N 435.530 5.645 30 20 IKED CSc1ccccc1NC(=O)[C@@H](C)Sc1nc2c(c(-c3ccco3)c1C#N)CCC2 603818313 AIAHUPDEFHCAME-CQSZACIVSA-N 435.574 5.543 30 20 IKED COc1ccccc1-c1csc(NC(=O)c2ccc(COc3ccccc3C#N)o2)n1 603880659 REQDGVCPCPAUAV-UHFFFAOYSA-N 431.473 5.115 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3nc(-c4ccccn4)no3)cc2Cl)cc1 604027230 OYHXZZGEOGYAJQ-UHFFFAOYSA-N 445.866 5.020 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)cc1Cl 604085201 UVWAJZSYAIBCGF-VWNXMTODSA-N 433.914 6.504 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(CN4CCCC4)c3)cc2)cc1 604461928 WAQFSYUPZQWNSD-UHFFFAOYSA-N 426.520 5.268 30 20 IKED O=C(NCC1(c2c(F)cccc2F)CCCC1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 605053239 ABTNXULXGJHYNB-UHFFFAOYSA-N 444.366 5.303 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1 608843236 KWTHFDFXNBVGFM-UHFFFAOYSA-N 442.450 5.509 30 20 IKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N[C@@H](C#N)c3ccc(F)cc3)cc12 609043982 NTLCVEBFJKHJFA-IBGZPJMESA-N 438.915 5.242 30 20 IKED Cc1cc(C)c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)sc2n1 609378650 VOZKCNOZSIPPFC-UHFFFAOYSA-N 435.496 6.190 30 20 IKED COc1ccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1F 609378660 XEVJGXXIXFTTRO-UHFFFAOYSA-N 426.435 5.430 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 609427866 YVUGAHKAOHRQEB-ZDUSSCGKSA-N 427.982 6.419 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)cc1 610126257 HPJKQARXDGXBGL-WIYYLYMNSA-N 436.939 5.929 30 20 IKED CC(C)CC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1F 610224282 VLONHWIMLUXUAP-UHFFFAOYSA-N 432.455 5.122 30 20 IKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 610490029 BLGLJQLPVSPZMO-ZEQKJWHPSA-N 442.584 5.949 30 20 IKED CSCc1cc(F)ccc1CNC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 610666460 DWKBAPOKKBOUSI-CHWSQXEVSA-N 446.432 5.397 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C[C@H](O)COc2ccc(CC#N)cc2)nc1-c1ccccc1 610989546 IQLZRHZEHKFKKF-UPVQGACJSA-N 445.563 5.108 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)N1CCC[C@](C)(C#N)C1 612310112 HSZOPDIMNWJAIW-RUZDIDTESA-N 433.531 5.889 30 20 IKED N#C[C@@H](C(=O)c1cc2ccccc2nc1O)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346098 CPEIAXQHCVWPML-HNNXBMFYSA-N 440.311 5.861 30 20 IKED CC(C)(c1ccc(C(=O)N[C@@H](C#N)c2ccccc2Br)cc1)C(F)(F)F 617999342 ZGICDOYIVVWEPU-INIZCTEOSA-N 425.248 5.284 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)cc(OC)c1OC 620580688 ZGXDOKKTTLPKTI-GOSISDBHSA-N 436.552 5.008 30 20 IKED N#C[C@@H](C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 642282040 GHVKPOYEWPJSET-IRXDYDNUSA-N 446.450 5.363 30 20 IKED C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 670201174 XSXZUVAUSRNYOR-GASCZTMLSA-N 443.395 5.180 30 20 IKED O=C(N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2 674471735 DSACXBOPUPXZAH-OFOORJHGSA-N 437.346 5.335 30 20 IKED N#C[C@H](C(=O)Cc1cccc(Br)c1)c1nc(-c2ccc(Cl)cc2)cs1 726322038 PNDZNUNMKYPZHC-MRXNPFEDSA-N 431.742 5.645 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)sc1-c1ccc(F)cc1 726733320 VXBAFGMWPXKSPL-OAHLLOKOSA-N 430.863 5.616 30 20 IKED CCOc1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 727978081 DTQLKVPKNQVCRF-UHFFFAOYSA-N 437.952 5.998 30 20 IKED C#Cc1cccc(N(C)C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)c1 728483006 XXLOILKUAIKRAO-UHFFFAOYSA-N 436.851 5.307 30 20 IKED COc1cccc([C@H](C#N)NC(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)c1OC 729429809 OBXYAAALPCASFK-QXFGJRORSA-N 438.936 5.480 30 20 IKED Cc1ccc(Cn2nc(C)c(CCC(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c2C)cc1 730422441 XWSDJNJTBOHZBX-OAQYLSRUSA-N 446.551 5.415 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F 731128724 JINICBDUTTZEMI-GOSISDBHSA-N 447.482 5.013 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)CCN2c3ccccc3Sc3ccccc32)c1 733774194 CEKFEFRJZXCKPM-FQEVSTJZSA-N 443.572 5.677 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)c1 733842486 WXYKCCZIHRVRQL-SFHVURJKSA-N 442.491 5.015 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)C(c2ccccc2)c2ccccc2)c1 733845555 DOGACCBSTLQPLD-YKSBVNFPSA-N 427.548 5.387 30 20 IKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cccc(COc2cccc(F)c2)c1 734080351 QRDZSUQCGLHHOZ-IBGZPJMESA-N 440.833 5.158 30 20 IKED N#C[C@H](C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)c1nc(-c2ccncc2)cs1 734081786 RONRHOZGSULJHZ-NTHKTCTLSA-N 433.842 5.767 30 20 IKED Cc1sc2nc([C@@H](C)OC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)nc(O)c2c1C 738754316 SZMHOJMCNWOBCV-CQSZACIVSA-N 444.516 5.547 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)[C@H](Sc3ccccc3)c3ccccc3)o2)cc1 741830791 XWKYVOARSCJEOB-JOCHJYFZSA-N 427.485 5.185 30 20 IKED Cc1ccc(N2CCOC2=O)cc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 743781258 GAKJTXSBPGTDHQ-UHFFFAOYSA-N 447.878 5.521 30 20 IKED C/C(=C/C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1C(F)(F)F 744031486 YKWNNBPVODQTRF-KOTGUFOOSA-N 441.236 5.763 30 20 IKED C=CC[C@@H](NC(=O)N(Cc1ccccc1OC(F)(F)F)C1CCCC1)c1ccncc1 745824986 ABPDELFBFVSDKX-HXUWFJFHSA-N 433.474 5.752 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2sccc2Br)cc1 746763370 HQVDKEIEGUNLET-QGZVFWFLSA-N 426.339 5.488 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cccc(-n2nccc2C(F)(F)F)c1 749337118 AUZNWZLAYBLMNG-IBGZPJMESA-N 448.404 5.005 30 20 IKED Sc1nnc(-c2ccccc2Br)n1N=Cc1cnc(-c2cccs2)s1 751521759 QETDQMDHJDTQBJ-UHFFFAOYSA-N 448.396 5.064 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)cc1C#N 752196720 WOMNOBBXHUOKNQ-UHFFFAOYSA-N 436.855 5.220 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(C2CC2)[C@@H](C)c2cccc(C(F)(F)F)c2)c1 754922232 XBPHYZYFAUGCJT-HRAATJIYSA-N 445.485 5.822 30 20 IKED C#CCNC(=S)/C(=C(/O)c1ccc(C(C)(C)C)cc1)[n+]1ccc(Cc2ccccc2)cc1 759054779 OFAOSTUVXQKDPP-UHFFFAOYSA-O 441.620 5.296 30 20 IKED C[C@@H](ON=CC(=O)Nc1ccc(F)cc1F)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 760434611 KMLQNQFHTGCBLM-SECBINFHSA-N 441.221 5.024 30 20 IKED COc1ccc(COCCCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 760971281 GXGJJZQEHZYSHD-QGZVFWFLSA-N 442.487 5.270 30 20 IKED COc1ccc(N(C(C)=O)c2nc(C=NNc3c(Cl)cccc3Cl)cs2)cc1 763179628 JRTVXMAWCQJHNY-UHFFFAOYSA-N 435.336 5.589 30 20 IKED C[C@H](CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 763510835 LQBLDMZUSXTYIO-VYDXJSESSA-N 445.560 5.285 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cc3c(s2)CCCC3)cs1 764434244 VSBLDWHOKKFAIH-DHZHZOJOSA-N 426.538 5.803 30 20 IKED N#Cc1ccc(-c2cccc(CNC3CCN(C(=O)c4ccccc4Cl)CC3)c2)s1 766109823 PINBQPLNZJSLNO-UHFFFAOYSA-N 435.980 5.335 30 20 IKED C#Cc1cccc(NC(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1 769220877 CNGQOLCXGDJSEC-SFHVURJKSA-N 442.359 5.311 30 20 IKED Cc1cncc(/C=C\C(=O)C(c2nc3ccccc3s2)c2nc3ccccc3s2)c1 772550180 XRFQKTVCDLHPDF-KHPPLWFESA-N 427.554 6.024 30 20 IKED CC[C@@H](C#N)Oc1cccc(CN[C@@H](CC)c2ccc(I)cc2)c1 772985082 QQOVXFZHHZXNSW-ICSRJNTNSA-N 434.321 5.213 30 20 IKED N#CCc1ccccc1CC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 776822650 SMGXESXIRUZPLF-UHFFFAOYSA-N 437.421 5.205 30 20 IKED CC(=O)Nc1ccc(C(=O)/C=C/c2csc(-c3cccc(Br)c3)n2)cc1 781550622 DGHCBMAJGSLCDE-MDZDMXLPSA-N 427.323 5.427 30 20 IKED COc1cc(/C=C/C(=O)Nc2ccc(Cl)c(C#N)c2)ccc1OCc1c(C)noc1C 787112843 FKLMOMXZCYVJSM-WEVVVXLNSA-N 437.883 5.056 30 20 IKED CC1(C)COc2c(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cccc21 789402379 CXHFIGJOBTZKRS-IBGZPJMESA-N 426.472 5.110 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)Nc1ccccc1SCCC#N 790668417 MHGMAAYGNZFZKH-UHFFFAOYSA-N 425.554 5.611 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccsc2)N(C2CC2)C1=O)Nc1cccc(Cl)c1Cl 790739978 ALHFUMJTGDTSCN-AWEZNQCLSA-N 440.377 5.178 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCc1ccccc1NC(=O)OC(C)(C)C 790766137 ATJWIGISTWJTFS-LJQANCHMSA-N 445.519 5.348 30 20 IKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(-c2cccc3cccnc23)cc1 796794883 XVWODVJKRPMIHD-FQEVSTJZSA-N 443.865 5.655 30 20 IKED C[C@H](C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 798390935 YHHSTTSEDQLZMX-ZWKOPEQDSA-N 435.330 5.835 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC4(CCCC4)C3)s2)c(C(F)(F)F)c1 806789867 CAPBLMBKFYMJJG-UHFFFAOYSA-N 434.487 5.422 30 20 IKED CC(=C/c1ccccc1OC(F)F)/C=C/C(=O)c1ccc(S(=O)(=O)CC(F)F)cc1 811690697 DPYORFLSKPWILW-YUYXVBIOSA-N 442.430 5.169 30 20 IKED COc1ccc(NCc2cc(C#N)ccc2Br)cc1NC(=O)C1CCCCC1 864011292 ACRKDBVGFZOWNG-UHFFFAOYSA-N 442.357 5.460 30 20 IKED C=C(Cl)CSc1nc(C)c(Cc2nc(-c3ccc(Br)cn3)no2)s1 904844955 LAZIPZQRXRUYLO-UHFFFAOYSA-N 443.779 5.094 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1nc2ccccc2[nH]1 915098889 KVUNWDONSULLQW-OAHLLOKOSA-N 426.423 5.124 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=S)Nc3cccc(C(F)(F)F)c3)c2)cc1 916026353 ZLWRZLBJHQWKMO-UHFFFAOYSA-N 441.478 6.159 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(N3CCCCC3)c(F)c2)cc(Br)c1O 916128968 MNUOLEJYUQXNPG-YVMONPNESA-N 434.305 5.189 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(Br)cc1F 916310121 SWSLHKKRUSYSBL-UHFFFAOYSA-N 442.313 5.217 30 20 IKED N#CCCn1cc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)c2ccccc21 916333088 CMRZNRONIWORAB-UHFFFAOYSA-N 441.347 5.291 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1c(C)nn(Cc2ccccc2)c1Cl 916559330 IGSVHWGFDIMMSI-UHFFFAOYSA-N 430.291 5.036 30 20 IKED CC(C)(C)c1ccc(CCC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 916846659 BIWSRPJPXKHGFC-GOSISDBHSA-N 433.577 5.382 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1 916900738 VXOWRARDIDSMHY-INIZCTEOSA-N 429.423 5.099 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1 916916673 ZMJNCNTUXMZAFD-NRFANRHFSA-N 439.540 5.470 30 20 IKED CC(C)(C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1ccc(Br)cc1 917044250 RSNKJEOLCCLOTK-AWEZNQCLSA-N 432.268 5.348 30 20 IKED N#C[C@H](C(=O)/C=C\c1cc(Br)ccc1F)c1nc2cc(Cl)ccc2s1 917045424 ZMVXNBHMCSQAKA-RFMMKKFCSA-N 435.705 5.741 30 20 IKED N#C[C@H](C(=O)COC(c1ccccc1)c1ccccc1)c1nc2cc(Cl)ccc2s1 917046150 GIHRIYYFTPEICZ-LJQANCHMSA-N 432.932 5.932 30 20 IKED Cc1c(-c2ccccc2)oc2c(C(=O)Nc3cc(C#N)cn3C(C)(C)C)cccc2c1=O 917404632 FMLGGLQXXQMOKR-UHFFFAOYSA-N 425.488 5.449 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cccc(OC(F)F)c2)cs1 917558988 BUTXEQWEOCNADV-YFHOEESVSA-N 432.423 5.464 30 20 IKED COc1cc2c(cc1NC(=O)CNc1cccc(OCCCC#N)c1)oc1ccccc12 917820727 CTDDNPQJTAPTOS-UHFFFAOYSA-N 429.476 5.328 30 20 IKED O=C(c1ccccc1SC(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 918669397 DAPSXSXHFNPFQZ-IUCAKERBSA-N 425.316 5.501 30 20 IKED C[C@H](OC(=O)CSCc1ccc(C#N)cc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 919207017 LKGZJEZOYDPPRD-ZDUSSCGKSA-N 447.438 5.165 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(C)s2)nnc1-c1ccc(Cl)cc1 920008649 XNONUHLUGGTIDM-AWEZNQCLSA-N 433.002 5.124 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(-n3ccc(O)n3)cc2)c1 1149657244 GNYYBQDWJCACAO-UHFFFAOYSA-N 430.851 5.148 30 20 IKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)CSC4CCCC4)cc3)CCC2)c1 1786348461 MVYKZGFSJCZKJE-UHFFFAOYSA-N 447.604 5.290 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)/C=C\c4c[nH]c5ccccc45)cc3)CCC2)CCC1 1786782268 XPOFNCCFKLJUPG-GHXNOFRVSA-N 438.531 5.009 30 20 IKED Cc1cc(Cl)c(Cl)cc1C(=O)NC1(c2ccc(NC(=O)CCC#N)cc2)CCC1 1787889022 ZZHWIRJAEMJAER-UHFFFAOYSA-N 430.335 5.353 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3ccoc3c2)[C@H]1c1cccnc1 1802500658 NNWNYHDMNWRGTQ-VWNXMTODSA-N 445.563 5.140 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(Cl)cc3)C2)CC1 1809266093 VFRFFLAJJPKMHP-UHFFFAOYSA-N 431.020 5.106 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2F)[nH]n1 1819301917 VNKDDRLCZCDDPG-UZLBHIALSA-N 444.938 5.277 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2[nH]c3ccoc3c2-c2ccccc2)n[nH]1 1820090557 CHHWJAFTCFZGGS-LJQANCHMSA-N 443.507 5.033 30 20 IKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(C)C)cc2)CC1 1824501713 ZMKBZGMXFHQCMN-RUZDIDTESA-N 440.628 5.026 30 20 IKED Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)N(CCC#N)c3ccccc3)s2)c1C 10211184 RVBVWJKSVOSTTK-KRWDZBQOSA-N 437.594 5.326 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)n1 10399432 BIEAESSMJDHVQA-CYBMUJFWSA-N 437.512 5.290 30 20 IKED Cc1c(Cl)cccc1Nc1nnc(SCC(=O)N(CCC#N)c2ccccc2)s1 16323616 YAMRCVADKMXLSW-UHFFFAOYSA-N 443.985 5.283 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cc(C)ccc2C)[n+]2ccccc2CC)cc1 22729777 RIVMXBGUTHFQFH-UHFFFAOYSA-O 433.597 5.603 30 20 IKED C=CCn1c(C)nnc1SCC(=O)Nc1nc(-c2ccc([C@@H](C)CC)cc2)cs1 28087381 MHUZJOXZKILPDP-AWEZNQCLSA-N 427.599 5.140 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@H](C)c1cccc2ccccc12 30969668 KDTABMWBYJGTBW-LJQANCHMSA-N 442.588 5.178 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nnc1C1CC1 35767148 HQQBICNRGVABKC-NWDGAFQWSA-N 425.385 5.006 30 20 IKED C[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)Nc1ccccc1C#N 36801469 XVOLDUAICGVPRK-KRWDZBQOSA-N 437.528 5.197 30 20 IKED N#C[C@@H](C(=O)CSc1ncc(-c2ccc(F)cc2)o1)c1nc(-c2ccccc2)cs1 43751290 WXLFMDIPYCCUOF-KRWDZBQOSA-N 435.505 5.573 30 20 IKED C=CCn1c(SCC(=O)Nc2cccc(Cl)c2F)nnc1-c1ccc(Cl)cc1 61494345 MTBHAZNZRLIQHB-UHFFFAOYSA-N 437.327 5.308 30 20 IKED Cc1sc(NC(=O)c2ccc(COc3ccccc3C#N)o2)nc1-c1ccc(F)cc1 71947601 AJKHIKKVLPAQFK-UHFFFAOYSA-N 433.464 5.554 30 20 IKED C=CCn1c(S[C@H](C)c2nc(C3CC3)no2)nnc1-c1ccc(Br)cc1 97493801 JROSIOZOSYUORD-LLVKDONJSA-N 432.347 5.007 30 20 IKED C=CCN(C(=O)c1cccc(Cn2nc(C)cc2C)c1)c1nc(-c2ccccc2)cs1 109385927 DFXKSDCVKFYADI-UHFFFAOYSA-N 428.561 5.505 30 20 IKED C=CCN(Cc1ccccc1)C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC 117063604 IZHBIPFSIMXVKS-UHFFFAOYSA-N 445.519 5.176 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](Cc1ccccc1)c1ccccc1 303395547 PNQZZEPWUQTRAX-HYBUGGRVSA-N 429.589 5.593 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(C(=O)NC4CCCC4)cc3)c2)c1 303607145 KUYIMTSACQXHKG-UHFFFAOYSA-N 439.515 5.062 30 20 IKED CC(=O)Nc1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 428341648 PNQRCFLPUSRSGI-ZDUSSCGKSA-N 429.973 5.635 30 20 IKED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3csc(-c4ccc(Cl)c(Cl)c4)n3)nc12 429574273 PULKHAPBBNSFEY-NSHDSACASA-N 428.304 5.187 30 20 IKED Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 431701073 ZYYSLWZLDDIUNE-NRFANRHFSA-N 438.314 5.018 30 20 IKED COc1ccccc1Oc1ccc(CNC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 431944925 ZSTIWSFHHKNUFC-QHCPKHFHSA-N 429.520 5.722 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCCc1cccc(OCC(F)(F)F)c1 432073650 XUKZLYVGVHIZNM-OAHLLOKOSA-N 437.487 5.386 30 20 IKED Cc1c(NC(=O)N[C@H](CCCC#N)c2ccccc2)cccc1C(=O)Nc1ccccc1 432825211 VTLNSEZQTSCKMN-XMMPIXPASA-N 426.520 5.804 30 20 IKED C=CCC[C@@H](NC(=O)C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1)c1ccccc1 435284391 HJFYTVHWIJMIAX-JOCHJYFZSA-N 440.971 5.025 30 20 IKED C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CCN1C 438542824 VZYDLIPBHTYKTG-BEFAXECRSA-N 446.473 5.316 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1ccc2scnc2c1)c1ccc(C(F)(F)F)cc1 442043275 ICXJWMLTBKZDLR-INIZCTEOSA-N 433.455 5.077 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 443880059 PWUKWRWBWAZFST-UHFFFAOYSA-N 442.243 5.069 30 20 IKED N#CCCSc1ccccc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 447421014 DBVZDHQUZQGFCW-UHFFFAOYSA-N 433.489 5.432 30 20 IKED CC(C)c1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(Cl)cn4)CC3)c2c1 447678010 XQBFVJWFHJAACI-UHFFFAOYSA-N 433.943 5.133 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1Cc2ccccc2C[C@H]1c1ccccc1 448378541 ZOGNTHKDOADCLJ-CYFREDJKSA-N 427.573 6.270 30 20 IKED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC=C(c2ccccc2C(F)(F)F)CC1 460582260 IESQLYHKOOKILI-OXJNMPFZSA-N 432.490 5.264 30 20 IKED C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 460802460 BNCUHSKKPUSWLH-KSZLIROESA-N 440.554 5.332 30 20 IKED Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 461198179 RPISZZABHJRNTC-UHFFFAOYSA-N 434.805 5.317 30 20 IKED C=CCN(C(=O)CS[C@H](C)[C@H](C)O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 463231720 OQIOQHLSYPXIGW-NWDGAFQWSA-N 431.410 5.138 30 20 IKED N#Cc1nc(N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)ccc1Cl 469557995 FAZSJDDLSNYWHD-OAHLLOKOSA-N 435.755 5.222 30 20 IKED CN(C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccc(-c2ccccc2)nn1 472014027 UAZJFCNGAWMMCJ-UHFFFAOYSA-N 440.890 5.738 30 20 IKED C[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)N1CCc2sccc2C1 477441386 VASYFQHIORHKNU-SFHVURJKSA-N 447.629 5.089 30 20 IKED COC(=O)c1c(F)ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1F 485143283 FEQQXCLNNGEQGC-UHFFFAOYSA-N 427.247 5.041 30 20 IKED CCOc1ccc(-c2nc(CNc3ccccc3Oc3ncccc3C#N)cs2)cc1 486450019 JKZVMEIIFZIJOM-UHFFFAOYSA-N 428.517 5.880 30 20 IKED CN(C(=O)c1cccc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)c1)c1ccccc1 486562038 PAZWJXDZUCETMD-UHFFFAOYSA-N 441.575 5.288 30 20 IKED C=CCC[C@@H](C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)c1ccccc1 489440176 SAJSDWFALRCTDR-GOSISDBHSA-N 444.553 5.377 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)nnc1-c1ccc(C)cc1 489660863 PLEHHOMOAFIQSO-HKUYNNGSSA-N 438.622 5.345 30 20 IKED CC(C)c1ccc([C@@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C(C)C)cc1 495416798 IPYRRRFGKFKZIV-QHCPKHFHSA-N 426.582 5.015 30 20 IKED CN(C(=O)CNc1cccc(OCc2cccc(C#N)c2)c1)[C@H]1CCCc2ccccc21 500280825 KSGPAEAWONPZDX-SANMLTNESA-N 425.532 5.085 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3occc3COc3ccccc3)c2)cc1 501451041 IQYXPJSBYXSDMV-UHFFFAOYSA-N 438.483 5.756 30 20 IKED Cc1noc(C)c1COc1cccc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c1 502449081 XNPCHJFJLAXZGL-UHFFFAOYSA-N 430.489 5.118 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)n1 502690827 WYIUQPFQDBIEGW-MRXNPFEDSA-N 433.385 6.541 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCC2(c3ccc(F)cc3)CCC2)cc1 502937248 BHGULBULWKUGBF-UHFFFAOYSA-N 443.522 5.714 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c1 505932852 BWTMADVLACZZGU-OAQYLSRUSA-N 435.405 5.151 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1NC(=O)c1ccccc1 506635637 LJQRZCVXRURKBQ-UHFFFAOYSA-N 431.495 5.294 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 507843791 ZMRRADGEHXDRSG-AWEZNQCLSA-N 439.874 5.591 30 20 IKED N#Cc1ccc(OC2CCC(NC(=O)c3sc(C4CC4)nc3-c3ccccc3)CC2)nc1 509912497 HWSDMUJQFAKPOB-UHFFFAOYSA-N 444.560 5.074 30 20 IKED C[C@@H](NC(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1)c1ccc(C#N)cc1 510640573 KHPZBDPFHNLGOM-MRXNPFEDSA-N 432.911 5.371 30 20 IKED Cc1cc([C@@H]2CCCN2C(=O)c2cnc(C(F)(F)F)c(C#N)c2)ccc1Br 511428509 KSNCNLKPCJTRCU-INIZCTEOSA-N 438.247 5.020 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)N[C@@H](C)c1ccc(C#N)cc1F 512642940 ULSIGGJYWULTNU-STQMWFEESA-N 444.373 6.304 30 20 IKED N#CC1(C(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)CCCCC1 512811288 DGOMGFSNLNNBMG-UHFFFAOYSA-N 430.430 5.762 30 20 IKED Cc1nc(-c2cccc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c2)no1 513865635 IJGKESAHAICRHE-UHFFFAOYSA-N 441.466 5.290 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 517474321 OBCWGBUQGPVZQJ-QRWLVFNGSA-N 439.972 5.236 30 20 IKED CC(C)COc1ccccc1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 518180547 PZIJVPNYBKWTQA-UHFFFAOYSA-N 443.547 5.688 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)cc1 518373020 ILPRMESWGDXMMB-ROUUACIJSA-N 426.360 5.272 30 20 IKED CN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 519003151 PRUKIAMZUAHZST-UHFFFAOYSA-N 435.867 5.397 30 20 IKED COc1cc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)ccc1OC1CCCC1 519897302 ZDNZOSBKAMCPDH-HXUWFJFHSA-N 449.595 5.817 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2csc(-c3ccccc3)n2)cc1 520705044 DBOFSRBZVWXKHI-UHFFFAOYSA-N 429.476 5.543 30 20 IKED COCCC[C@H](c1ccc(Cl)cc1)c1noc(C2(c3cc(F)cc(C#N)c3)CC2)n1 521260951 NYNPHTBUPJXRKN-HXUWFJFHSA-N 425.891 5.372 30 20 IKED N#CCCCOc1cccnc1NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 522657866 DYRLNXPQAVWBLD-UHFFFAOYSA-N 443.912 5.011 30 20 IKED C[C@H]1C/C(=C\c2ccco2)c2nc3ccccc3c(C(=O)Nc3ccn(CCC#N)n3)c2C1 522725479 OKWDCCRMNDFHKN-HVESIFNPSA-N 437.503 5.313 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 522789334 MEWOJWVCLKQIDH-SANMLTNESA-N 440.547 6.094 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1C 523534666 GUUIKWDHFJWLLP-UHFFFAOYSA-N 445.910 5.241 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCSC[C@@H]1c1ccc(Cl)cc1 533300930 WWQYPLOHYLKYPF-OXJNMPFZSA-N 446.041 5.463 30 20 IKED CCN(C(=O)c1cnn(-c2ccc(Br)cc2)c1C)c1ccc(C#N)c(Cl)c1 538074074 VAQWWHRRUNIGFH-UHFFFAOYSA-N 443.732 5.135 30 20 IKED CC(C)CCn1c(SCCCC2(C#N)CCOCC2)nc2cc(Cl)ccc2c1=O 540769478 OKVCXEWZBRYONQ-UHFFFAOYSA-N 434.005 5.289 30 20 IKED Cc1ccc(COc2c(C)cc(CN(C)C(=O)Nc3cc(C)n(CCC#N)n3)cc2C)cc1 540814375 RWTWGZNIKWVQOO-UHFFFAOYSA-N 445.567 5.273 30 20 IKED C[C@@H](NC(=O)[C@H]1CCCCN1C(=O)c1cccs1)c1ccc(-c2cccc(C#N)c2)cc1 541108700 ILASFPXRNRETOO-WZONZLPQSA-N 443.572 5.159 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 543883265 DXMGLJODEXXQSV-HUUCEWRRSA-N 437.491 5.023 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)cc1 544241255 VFGLJVDCCHRGOJ-HSZRJFAPSA-N 438.575 5.348 30 20 IKED COc1cc(C#N)ccc1NC(=O)N(C)[C@H]1CCSc2ccc(Br)cc21 545998806 GKAVTYBAKZZRQS-INIZCTEOSA-N 432.343 5.030 30 20 IKED N#Cc1cccc(-n2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)n2)c1 547379643 KPPNMDZSINNUBT-QFIPXVFZSA-N 437.890 5.305 30 20 IKED Cc1ccccc1NC(=O)[C@@H]1CCc2ccccc2N1C(=O)c1ccc(C#N)c(Cl)c1 547952605 TYNIPWSOSHUTAA-QHCPKHFHSA-N 429.907 5.120 30 20 IKED Cc1noc([C@@H]2CCCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1 568311096 RIJWTCYOYGVBOW-CTNGQTDRSA-N 435.915 5.446 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCC3(C2)Oc2ccccc2O3)cc1Cl 572519799 MPVWJSFJASMTPN-UHFFFAOYSA-N 432.863 5.018 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)NC(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1 573186822 UYDXBSJQQOMVEF-HXUWFJFHSA-N 440.547 5.085 30 20 IKED C=CCn1c([C@@H]2CCOC2)nnc1N(Cc1ccc(-c2ccccc2OC)cc1)C(C)C 576624694 DTSRXUPNPRKYTL-JOCHJYFZSA-N 432.568 5.059 30 20 IKED CC1(c2nc(CSCc3ccco3)no2)CCN(c2ccc(Cl)cc2C#N)CC1 582266316 PAHWMLHCEFFXNW-UHFFFAOYSA-N 428.945 5.179 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3sc4c(c3C#N)CCC4)c2)cc1 589285211 IPZTWZGDNVYCFY-UHFFFAOYSA-N 444.556 5.461 30 20 IKED Cc1nc(CSc2ccccc2C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cs1 591311168 QIDQBKHXJQOLTN-UHFFFAOYSA-N 448.598 5.991 30 20 IKED Cc1nc(NC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)n2)sc1SCC#N 603775678 WEYKFBCYJXLIPA-UHFFFAOYSA-N 431.546 5.172 30 20 IKED COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1ccc(C#N)c(Cl)c1 603948126 UYYRJTJDXGMWID-UHFFFAOYSA-N 426.881 5.136 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 604085220 WXEYFYQKDFZDPK-UHFFFAOYSA-N 429.495 5.691 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCc4[nH]c5ccc(Cl)cc5c4C3)cc2)cc1 604461367 JOALGWXXUBEQLI-UHFFFAOYSA-N 442.906 6.075 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)n1 605257557 NSPKCRVBDYGMNN-HNNXBMFYSA-N 445.331 5.892 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609063318 YUVGYQXGXAACET-MRXNPFEDSA-N 431.879 5.068 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nccn1-c1cccc(Cl)c1 609370574 FLXXPYXPSDYNLW-OAHLLOKOSA-N 442.997 5.651 30 20 IKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2cccc(Sc3ccccc3)c2)cc1 609374991 BTAYDNIUYFWXBX-UHFFFAOYSA-N 436.558 5.168 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CSc3ccc(C(F)(F)F)cn3)cc2)c1 609426819 IFGKGKWEMRMSLD-UHFFFAOYSA-N 429.423 5.495 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)cc1 609702474 MRPFKEOIZOZNHV-QFIPXVFZSA-N 445.563 5.388 30 20 IKED N#Cc1c(NC(=O)c2oc3ccccc3c2CSC2CCCCC2)nc2n1CCS2 609814764 OQAGFWSAMLBXQS-UHFFFAOYSA-N 438.578 5.425 30 20 IKED Cn1ccnc1Sc1ccccc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 609987878 MTAUMJQIHLTUFR-UHFFFAOYSA-N 425.517 5.439 30 20 IKED N#CCCCOc1cccc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)c1 610170764 AFKFIQIZVBNCAG-UHFFFAOYSA-N 442.302 6.116 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)c1ccccc1C(F)(F)F 610223970 WPFMFAMQAHVZCA-OAHLLOKOSA-N 425.410 5.815 30 20 IKED N#Cc1cccc(-c2nnc(CN3CCC(CCc4cccc(C(F)(F)F)c4)CC3)o2)c1 610367906 IJFBNKCKQIFMJK-UHFFFAOYSA-N 440.469 5.472 30 20 IKED C[C@H](Oc1ccccc1C#N)c1nc(Cc2nc3cc(C(F)(F)F)ccc3s2)no1 612881842 OCKOHTPXCXIZRZ-NSHDSACASA-N 430.411 5.301 30 20 IKED Cc1nc(Cc2ccccc2)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 613320022 RZGCLZCNZHCVRB-SFHVURJKSA-N 449.988 6.309 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2cccc(C#Cc3ccccc3)c2)c1C(F)F 676150953 UHRKPQDNWXRMPB-UHFFFAOYSA-N 433.380 5.512 30 20 IKED FC(F)(F)c1cccc(CNC(=S)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 726474509 HZCLKVPVPJKJLG-RYUDHWBXSA-N 438.359 5.143 30 20 IKED CCCN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCN(Cc2ccccc2)C1 726490280 WYAAHBRONJUKEC-NRFANRHFSA-N 427.017 5.285 30 20 IKED Cc1c(Cl)cccc1N1C(=O)/C(=C\c2cccc(OCCCC#N)c2)SC1=S 726801646 IWHJAAHHDBSYGO-CPNJWEJPSA-N 428.966 5.737 30 20 IKED O=C(/C=C/c1ccc(OCc2occc2C(=O)O)cc1)c1ccc(OCC(F)(F)F)cc1 730948344 DINUGJHXABSPHF-XCVCLJGOSA-N 446.377 5.394 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 730989677 MTVDPDOKJDTSEG-KZULUSFZSA-N 434.348 5.377 30 20 IKED N#Cc1ccc(CCC(=O)O[C@@H](CC(F)(F)F)c2ccc(Br)cc2)cc1 731993113 BWVWKOHISFVQLT-KRWDZBQOSA-N 426.232 5.490 30 20 IKED N#CCOc1ccc(COC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)cc1 733472345 XDABWGODXASISY-UHFFFAOYSA-N 433.316 5.305 30 20 IKED C#CCN(C(=O)Nc1c(C)cccc1CC)[C@H]1CCOc2ccc(Br)cc21 733615279 MIGJWDXDPFIZBZ-IBGZPJMESA-N 427.342 5.311 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OC 733634046 NGZAVZXEAKNCLR-WMZOPIPTSA-N 438.553 5.092 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](CCc2ccccc2)c2ccccc2)c1 733805360 BBXJEQZMVHTHFQ-AHWVRZQESA-N 427.548 5.541 30 20 IKED Cc1ccc(-c2ncc(C=Nn3cnnc3SCc3ccc(Cl)cc3)s2)cc1 734295842 CEZJDPSOFFUCKE-UHFFFAOYSA-N 425.970 5.538 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Oc2ccc(N3CCOC3=O)cc2)c1 735207473 RSGVYWYKGUGIQV-UHFFFAOYSA-N 434.835 5.180 30 20 IKED CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc(Cl)ccc1OCC#N 735305602 ANOHQRPROAFSPX-UHFFFAOYSA-N 426.731 5.010 30 20 IKED CCOc1cc(C#N)ccc1OC(=O)c1csc(-c2ccc(Br)s2)n1 737477311 FZHNCEQHMVRPHP-UHFFFAOYSA-N 435.324 5.124 30 20 IKED O=C(/C=C\c1ncc(-c2ccc(Br)cc2)[nH]1)c1cccc(-c2ccncc2)c1 741473221 OLJOUAMYQCQWQR-HJWRWDBZSA-N 430.305 5.797 30 20 IKED C[C@@H](c1ccccc1Cl)N(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C1CC1 743093512 VNBHRMQQXCNVIK-UUOWRZLLSA-N 429.951 6.753 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H](c2ccccc2)C2CCOCC2)cc1F 743237645 DWKMORZBCUMEBM-RUZDIDTESA-N 445.494 5.779 30 20 IKED Cc1nn(C)c(C)c1C[C@@H](C)C(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 744036848 JICSFBLXFNMTSE-QMMNJHFDSA-N 436.625 5.016 30 20 IKED O=C(OCC(F)(F)C(F)F)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 744561472 XULXVQDBANYLAW-UHFFFAOYSA-N 447.310 5.010 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccc(Cl)c(Cl)c1 747103661 DOXLBSIDRDGFRY-ZWNOBZJWSA-N 446.359 5.562 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccc(C(F)(F)F)cc2)n1 747198721 KOIJJBQPSQZJQB-MDZRGWNJSA-N 449.498 5.071 30 20 IKED C#CCCN1CCC(NC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CC1 747403966 DMNJWAXAYYQQHL-UHFFFAOYSA-N 436.555 5.151 30 20 IKED CC[C@@](C)(C#N)NC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 749611671 DWPQADJSGVGPFW-NRFANRHFSA-N 440.619 5.378 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1 751954283 AFDXVZUBVLJRMZ-QHCPKHFHSA-N 449.551 5.078 30 20 IKED COc1cc(C=NOc2ccccc2C(F)(F)F)cc(Br)c1OC(F)F 754712211 GHUZIBPJLLWECM-UHFFFAOYSA-N 440.162 5.491 30 20 IKED CCN(C(=O)COc1ccc(C2SCCCS2)cc1)c1ccc(C#N)c(Cl)c1 755370629 AGYFMBKRWTWDPU-UHFFFAOYSA-N 432.998 5.512 30 20 IKED C#CCN(Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1)[C@@H]1CCc2ccccc21 756487946 YVGYFISQTUJMOY-HSZRJFAPSA-N 435.980 5.604 30 20 IKED CC(C)(C)OC(=O)N1CCc2cccc(/C=C/C(=O)c3ccc(N4CCCC4=O)cc3)c21 757530506 UNPNUIWDHNXKHO-SDNWHVSQSA-N 432.520 5.007 30 20 IKED Fc1cc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)c2ncccc2c1 760240024 QRALWXKTEKALLQ-UHFFFAOYSA-N 448.310 5.022 30 20 IKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccncc2)n(C2CCCCC2)c1=S 764898232 LNYQRWCRRAAPBQ-UHFFFAOYSA-N 446.624 5.723 30 20 IKED C=CCn1c(-c2ccccc2C)nn(CN(C)C[C@H]2CCCO[C@H]2c2ccccc2)c1=S 764943710 IIDOKFNFGVDLDW-VWNXMTODSA-N 448.636 5.633 30 20 IKED CCS(=O)(=O)c1c(Cl)cccc1/C=C/C(=O)c1ccc(SC(F)F)c(OC)c1 774126677 MGYYAWFIRMTDRF-VQHVLOKHSA-N 446.924 5.353 30 20 IKED Cn1cc([C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2ccc(F)cc2)cn1 775489668 WYBSMLYALSTIFX-RPBOFIJWSA-N 439.494 5.126 30 20 IKED COc1ccc2ccccc2c1-c1cc(CNC(=S)Nc2ccc(C#N)c(Cl)c2)on1 777928582 SJNRNNRQZPWHSA-UHFFFAOYSA-N 448.935 5.515 30 20 IKED CN(C)[C@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1c(F)cccc1Cl 778619030 DWDXLCZXAIMGIG-WLRWDXFRSA-N 449.885 5.360 30 20 IKED N#C[C@H](C(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1)c1nc2ccccc2s1 780302630 PXCVEEGOSKBILI-KNQAVFIVSA-N 441.512 5.140 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl 780500249 FGTHLXSZJWUWGR-ZIAGYGMSSA-N 436.364 5.907 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 780673686 ZCKBNSOYRFOESS-BLVKFPJESA-N 437.849 5.922 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H]2CCCc3c(Br)cccc32)ccc1OC 783520550 AOQXOFMMUOKALU-JXFKEZNVSA-N 429.358 5.306 30 20 IKED Clc1ccc(CSc2nncn2N=Cc2cnn(Cc3ccccc3)c2Cl)cc1 788981688 SXEUBNKSUZECLO-UHFFFAOYSA-N 443.363 5.004 30 20 IKED CC1(C)C[C@@H](Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c2cc(Br)ccc21 794814686 SDFBRJSBYOUNID-OAQYLSRUSA-N 440.385 5.116 30 20 IKED CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797570382 GMMNEGZNUVJYBF-IAGOWNOFSA-N 431.989 5.115 30 20 IKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(CC(F)(F)F)C2=O)cc1 799212991 MESWMQJHLDKURK-GOSISDBHSA-N 449.498 5.134 30 20 IKED CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 802066851 BMRDHTUPXLXEND-GOSISDBHSA-N 449.967 5.283 30 20 IKED CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N 815202852 ZFGLSILFSAXRJE-CJFMBICVSA-N 432.955 5.124 30 20 IKED C=CCCCN(C)C(=O)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)o1 815661676 KWPGIDYENJLPRK-UHFFFAOYSA-N 444.531 5.357 30 20 IKED Cc1nn(CC(C)C)c(C)c1CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915104238 NSELHVHRABRXGD-INIZCTEOSA-N 434.487 5.203 30 20 IKED C=CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1Cl 916209577 NWWRAALKSLGRGG-IBGZPJMESA-N 427.957 5.103 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2cccc(Br)c2)n1)c1ccc2ccccc2n1 916849197 RCFCMGYDZBYCDB-SFHVURJKSA-N 448.345 5.540 30 20 IKED C=CCOc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1OC 916909747 QUXBVXAZBLHRQK-HXUWFJFHSA-N 442.471 5.013 30 20 IKED Cc1nc(COc2cccc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)c2)cs1 916916357 SDXZYOJWTGIVAJ-QFIPXVFZSA-N 441.512 5.145 30 20 IKED CCCc1ccc(C(=O)CCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 916928505 MKVIJKGLOGQHLV-QGZVFWFLSA-N 431.319 5.256 30 20 IKED Cc1cccc(-c2nnc([C@H](C)OC(=O)c3ccc(COc4ccccc4C#N)o3)o2)c1 917328073 PCMQDWKKAHKONC-INIZCTEOSA-N 429.432 5.007 30 20 IKED COc1ccccc1N=C1SCCN1C(=O)c1csc(-c2ccc(Cl)s2)n1 920021751 YIVXRJWEPLFAIK-UHFFFAOYSA-N 435.983 5.410 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)c2ccc3nc(O)oc3c2)cc1 1310238277 SZVYWJIDCVSHQQ-AWEZNQCLSA-N 444.447 5.089 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(Cl)c(F)c3)CCC2)cc1 1786676543 PIAJPOFMJKMGOJ-UHFFFAOYSA-N 446.975 5.075 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4c(Cl)cccc34)cc2)CCC1 1790954631 LTGFXYLCZRGVOZ-UHFFFAOYSA-N 434.927 5.119 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5ccoc45)cc3)CCC2)cc1 1790957227 YDZODHIFQJCAFG-UHFFFAOYSA-N 435.483 5.366 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc(OC)ccc3Cl)cc2)CCC1 1792085854 MVWWWFDXBYQUSR-UHFFFAOYSA-N 448.897 5.308 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 1810504807 HKCZCVCYXAVMMJ-JWQCQUIFSA-N 447.623 5.517 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCC(F)(F)F)[nH]n1 1814440057 HZYXJFHASDHHHC-MRXNPFEDSA-N 428.499 5.127 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)[nH]n1 1814444126 UQGVZLTWSPMUDJ-HDAAZOAOSA-N 426.605 5.221 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCC3CCCC3)n[nH]2)c1 1816694071 GFOCKEHPRUYHTL-FDDCHVKYSA-N 447.583 5.313 30 20 IKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(CC(C)C)cc2)[nH]n1)C(F)(F)F 1821993979 NLHHBWAJBYKTRM-LJQANCHMSA-N 448.489 5.033 30 20 IKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3CCCCC3)CC2)c1Cl 1826285733 PHRRYLIHCQVUGB-QFIPXVFZSA-N 442.003 5.025 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(C)cccc3[nH]2)CC1 1828577553 SYMRQKMATOSLOZ-BKMJKUGQSA-N 447.623 5.478 30 20 IKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1829705233 ISOFYEJSRNBGAQ-RUZDIDTESA-N 447.554 5.030 30 20 IKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)CC1 1832699646 KLFWARIQGFVFLK-MHZLTWQESA-N 442.603 5.390 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(C(C)(C)C)cc1)[n+]1ccccc1CC 10174300 RTIAHDKKJCKMOW-UHFFFAOYSA-O 445.652 6.447 30 20 IKED C=CCN(C(=O)c1ccc(OC(F)F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14724044 OHIUOHHMGVNVLW-UHFFFAOYSA-N 431.420 5.153 30 20 IKED CC(=O)c1cccc(OCCCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1 58682534 ZZYRPDOWWWMANR-UHFFFAOYSA-N 429.476 5.054 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 63392058 VAEZWLDOKRYYSM-UHFFFAOYSA-N 433.512 5.183 30 20 IKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3cccc(OCCCC#N)c3)cc12 71975191 GXXJBQVWQHDIRU-UHFFFAOYSA-N 434.496 5.469 30 20 IKED C#Cc1cccc(N(Cc2ccccc2)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 97545664 SDUBGPHHMXKSCF-UHFFFAOYSA-N 442.518 5.369 30 20 IKED COc1cc2nc(SCCCCC#N)n(CCC3=CCCCC3)c(=O)c2cc1OC 195545036 LCOQHTMLSDMLMW-UHFFFAOYSA-N 427.570 5.090 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)cc(Cl)c1OCCC(C)C 301763615 OCQSKQPGBPSVAT-MRXNPFEDSA-N 425.916 5.150 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2cccc(OC(F)F)c2)cc1Cl 409793858 OBLWAPTYJZTFGT-HXUWFJFHSA-N 426.850 5.778 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)cc1 409824926 VOZLRVCHXNPQLK-SJORKVTESA-N 427.253 5.560 30 20 IKED N#Cc1ccccc1COc1cccc(CNC[C@@H](CC(=O)O)c2ccc(Cl)cc2)c1 426707607 BAUMQZUMCZJBQI-JOCHJYFZSA-N 434.923 5.139 30 20 IKED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3csc(-c4ccc(Cl)cc4Cl)n3)nc12 429594929 SPZRTLLQIWMEBZ-LBPRGKRZSA-N 428.304 5.187 30 20 IKED C[C@@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1noc(-c2ccc(Cl)cc2)n1 431195302 XKMUWFFTXNDVQJ-MRXNPFEDSA-N 443.894 5.068 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 435607343 OPHJCKSJJWMISW-SECBINFHSA-N 441.372 5.731 30 20 IKED O=C1CCc2cc(NCC#Cc3ccc(C(F)(F)F)cc3)ccc2N1CC(F)(F)F 435882821 GSLMMLHXTXHARR-UHFFFAOYSA-N 426.360 5.011 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(NC(=O)c2cccs2)c1 437675024 GHKNRSLEDPEBBM-LEWJYISDSA-N 430.533 5.304 30 20 IKED C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCN1Cc1ccccc1 437832950 AAAYYKAIPIRYFK-OAQYLSRUSA-N 440.547 5.479 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCCc2c([nH]c3c(F)cccc23)C1 439470457 OSWOFIMJBUUBGA-MRXNPFEDSA-N 436.556 5.088 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)Nc1ccc(OC2CCCCC2)cc1 440882557 BEZLRTWQDGEYAQ-QGZVFWFLSA-N 437.565 5.227 30 20 IKED C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(CCCCC(C)(C)C#N)CC1 444652439 RTRORMLCBHJOMS-QGZVFWFLSA-N 449.521 5.154 30 20 IKED C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c2ccccc2NC1=O 460111949 QECLJYOQTWFNHO-OAHLLOKOSA-N 431.879 5.239 30 20 IKED Cc1nnc(-c2cccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)c2)o1 461254939 IWFILXIRAQPUKY-UHFFFAOYSA-N 426.501 5.461 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Cl)cc1-c1cccc(Cl)c1 469213667 VXJIZBSHEAOXEI-UHFFFAOYSA-N 441.362 5.959 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)CCOc1ccc(C(F)(F)F)cc1 470363167 NKRXWNRBAWGTOF-HNNXBMFYSA-N 437.487 5.642 30 20 IKED N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)cc1 470880943 SQCLLDCNDXNAOV-FQEVSTJZSA-N 449.432 5.477 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(O)(Cc4cccc(F)c4)CC3)cc2)c1 473685405 FXAQBZIWDVXGIK-UHFFFAOYSA-N 445.494 5.091 30 20 IKED CCc1nc2c(s1)[C@H](N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)CCC2 478045778 KIQBBRICMCDPHZ-HXUWFJFHSA-N 439.629 5.059 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 480941326 MCBZBFRLQVJVNL-QGZVFWFLSA-N 428.398 5.585 30 20 IKED N#CCSc1cccc(C(=O)NCc2ccc(Br)cc2C(F)(F)F)c1 481774376 YSVYHYJCXLHRJD-UHFFFAOYSA-N 429.261 5.014 30 20 IKED N#CCCC[C@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccccc1 487472268 KNAXOVFKJPWVFK-FQEVSTJZSA-N 437.337 5.532 30 20 IKED Cc1nc(C)c(NC(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)s1 489978440 GINUWOOOXMMKMD-UHFFFAOYSA-N 426.567 5.351 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(CSc4nc[nH]n4)cc3)cc2)cc1 489980223 IXSNAZRDUURHJA-UHFFFAOYSA-N 427.489 5.013 30 20 IKED CC(C)(C)CN(CCC#N)C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 494306669 GTBJSURWQAPDOS-UHFFFAOYSA-N 442.357 5.103 30 20 IKED C[C@@H](c1ccc2ccccc2c1)N(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C1CC1 498378602 WBACOSBDZVVCDZ-IBGZPJMESA-N 446.572 5.283 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1nc2cc(Cl)ccc2s1 499572601 HRCLDLGLOKQUNN-LBPRGKRZSA-N 448.813 5.509 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(c3ncnc4sc(-c5ccccc5)cc34)CC2)c1 502294766 VXPAXFWQMOOKOR-UHFFFAOYSA-N 439.544 5.085 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 505045498 IZFUOIBFENNGLT-NRFANRHFSA-N 443.551 5.192 30 20 IKED Cc1cn2c(n1)[C@H](CNC(=O)Nc1ccc(Oc3ccc(C#N)cc3)c(Cl)c1)CCC2 506037101 FNJXWQLXGANTLO-KRWDZBQOSA-N 435.915 5.208 30 20 IKED Cc1sc(Br)c(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1C 507362042 QEBIBGKHPYYGPS-UHFFFAOYSA-N 433.371 5.119 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)cc1 510993857 DSLNNOSDESDKAU-WZONZLPQSA-N 433.552 5.414 30 20 IKED C[C@@H](C#N)CSc1ccccc1NCc1nc(-c2ccc(Br)s2)no1 511665345 JQLNGCIKIAQKGW-NSHDSACASA-N 435.372 5.424 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 511726128 XXJOWWZQJCITOH-UHFFFAOYSA-N 439.475 5.158 30 20 IKED COc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)sc2C)cc1 512970388 RDFYZGFFADHKRF-IBGZPJMESA-N 431.542 5.741 30 20 IKED N#C[C@@H](C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1nc2ccccc2n1C(F)F 515539283 RHPNFFMTXOCTRG-IBGZPJMESA-N 440.453 5.924 30 20 IKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 515699496 XZWQTLNCPXMSEG-UHFFFAOYSA-N 447.343 5.439 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OCc4cscn4)c3)n2)cc1 516713741 IQONHYVDVARFGX-FQEVSTJZSA-N 447.541 5.344 30 20 IKED CCCOc1c(Cl)cc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1OC 518850213 QVXMCOGXCXNSSN-INIZCTEOSA-N 427.715 5.439 30 20 IKED Cc1ccc(-n2cnnc2SCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1C 520187319 IJFDFSVHDHHFBE-QGZVFWFLSA-N 437.594 5.009 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)c1 521087166 QOBNWUFGWHQHPH-UHFFFAOYSA-N 426.822 5.341 30 20 IKED Cc1nc(-c2ccccc2)c(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)s1 522313686 UJYKTXJARLPVPD-UHFFFAOYSA-N 425.513 5.822 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C)c1ccccc1-c1ccc(Cl)cc1 523542905 OSLHFHNHTDLLGL-QGZVFWFLSA-N 434.971 5.544 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)NCc3ccnc(OCc4ccccc4)c3)c2)c1 524185539 SUXVMODFYKRMLQ-UHFFFAOYSA-N 449.510 5.041 30 20 IKED Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 524335538 XMKBTNDIZRZGCI-SANMLTNESA-N 444.579 5.049 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)CSCc2ccc(C#N)cc2)nc1-c1ccccc1 525330846 MMLGITMNQXPLPO-QFIPXVFZSA-N 445.588 5.934 30 20 IKED C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC(Oc2cccc(C#N)c2)CC1 533287477 DXJUEBLEPRCHFZ-FQEVSTJZSA-N 425.532 5.096 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(-c4ccccn4)c3C)n2)cc1 534380878 UWOBNCVCIAWVTA-NRFANRHFSA-N 425.513 5.679 30 20 IKED C=CCN(Cc1ccc(OC)cc1)Cc1csc(N(C(C)=O)c2ccc(C)cc2C)n1 535982006 VEJZEHLMOZYOBC-UHFFFAOYSA-N 435.593 5.641 30 20 IKED C=CCN(Cc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1)CC(F)(F)F 536655255 HHHTZGPILHORNP-UHFFFAOYSA-N 437.409 5.397 30 20 IKED N#CCCn1cc(CN(CCc2ccccn2)Cc2ccc(F)cc2)c(-c2ccccc2)n1 536683617 CWMIDJDXCPDBBE-UHFFFAOYSA-N 439.538 5.243 30 20 IKED CCc1ccc(-n2c(SCCCC3(C#N)CCOCC3)nc3ccccc3c2=O)cc1 538569736 INLCGXDNFYEUNE-UHFFFAOYSA-N 433.577 5.141 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)c1nc2ccccc2n1C(F)F 540079906 GYCGEAGBUCQICT-GFCCVEGCSA-N 446.244 5.414 30 20 IKED CN1CCC[C@@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 540718570 KYNOLJUNZDLMTC-UGKGYDQZSA-N 441.497 5.073 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c2cnn(C(C)C)c2n1 540779342 GGOJPMVXYVHCQT-AWEZNQCLSA-N 437.475 5.212 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)n2)c(Cl)c1 541097133 IRQXYUPRHOKLLC-GOSISDBHSA-N 448.939 5.376 30 20 IKED C[C@@H](NC(=O)NCCc1nc(C(F)(F)F)cs1)c1ccc(-c2cccc(C#N)c2)cc1 541121068 SYDSQXZRWXSITK-CQSZACIVSA-N 444.482 5.303 30 20 IKED Cc1cc(NC(=O)c2cc(C(F)(F)F)ccc2Sc2cccc(F)c2)nn1CCC#N 541592667 UXNFZLCIOUMNRE-UHFFFAOYSA-N 448.445 5.667 30 20 IKED CCN(Cc1ccccc1NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(C)=O 541994538 WYKHDUMUZUPAEV-IBGZPJMESA-N 440.547 5.476 30 20 IKED Fc1cc(CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)ccc1-n1cncn1 547708574 VJWOYZCKHLMMST-MRXNPFEDSA-N 432.343 5.209 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N(C)Cc1cscn1 549668203 QBNKFAWQTHBFKV-UHFFFAOYSA-N 431.565 5.193 30 20 IKED COc1cc(Oc2ccccc2)ccc1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 552115165 QLMFZRSNAUMYOR-UHFFFAOYSA-N 445.494 5.353 30 20 IKED Cc1ccc(S[C@H](C(=O)N2CCC(C#N)(c3ccccn3)CC2)c2ccccc2)c(C)c1 558591366 SHNAZQPHQXUDRK-VWLOTQADSA-N 441.600 5.616 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1F)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 558833781 JHQRFZRIWVLBOS-CYBMUJFWSA-N 444.278 5.454 30 20 IKED N#CCCC[C@@H](NCc1ccc(OC(F)(F)F)c(Br)c1)c1ccccc1 560561823 LDGNFXQWBICPFQ-QGZVFWFLSA-N 427.264 5.872 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(Br)s1 565510052 CIWOVWZDKQMPAU-LBPRGKRZSA-N 443.326 5.452 30 20 IKED C=CCn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CC[C@@H](c2ccccc2)C[C@@H]1C 576743754 URFZQGJFOZVERP-WQDFSMHNSA-N 428.580 5.482 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3Cl)CC2)c(F)c1 577312734 FYKNHUGMHBHKBU-UHFFFAOYSA-N 441.812 5.445 30 20 IKED C=CCn1c(S[C@@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)nnc1-c1ccc(C)cc1 579498519 YIWPAKSFUKIWJZ-DYESRHJHSA-N 436.556 5.033 30 20 IKED N#Cc1ccc(C[C@@H](C#N)c2nc(-c3cccc(Oc4ccc(Cl)cc4)n3)no2)cc1 581514624 YRSODZXPNIPBBK-KRWDZBQOSA-N 427.851 5.299 30 20 IKED COc1ccc(CNc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1OCCCC#N 584201621 CENHQQNLMLQCHH-UHFFFAOYSA-N 430.430 5.194 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)sc1-c1ccc(F)cc1 588349023 OSWMYBXVCZPYEI-HNNXBMFYSA-N 425.435 6.098 30 20 IKED Cc1ccc(-n2nc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c3c2CCC3)c(C)c1 592973798 HJWSCBKQPOXXCA-QGZVFWFLSA-N 430.508 5.217 30 20 IKED N#C[C@H](C(=O)c1ccccc1OCCOc1ccccc1)c1nc2cc(F)ccc2s1 592974782 ZGYFZIVLIWCWKV-LJQANCHMSA-N 432.476 5.383 30 20 IKED Cc1ccc(-n2cc(C(=O)Nc3nc(C)c(SCC#N)s3)c(-c3ccccc3)n2)cc1 603775799 VGACOJYWLMFWIN-UHFFFAOYSA-N 445.573 5.481 30 20 IKED Cc1ccc(-c2nc(CCNC(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)co2)cc1 608843237 KXVKDQYYIGZRMX-UHFFFAOYSA-N 439.475 5.073 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@](C)(CC(=O)O)C1CCCCC1 609076085 IKWCCPXSFZWPLH-SANMLTNESA-N 434.536 5.446 30 20 IKED N#Cc1cc(NC(=O)c2cccnc2SCc2cccc(Br)c2)ccc1F 609102872 DHQVQLVWYUPTPZ-UHFFFAOYSA-N 442.313 5.399 30 20 IKED Cc1ccc2c(Cl)c(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)sc2c1 609149515 WLZSRENIERSGTC-UHFFFAOYSA-N 446.959 6.761 30 20 IKED CC(=O)N[C@H](CC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N)c1ccccc1 609160616 SWTUZPVBDFUHDH-HSZRJFAPSA-N 431.923 5.012 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cn1c(Cc2ccccc2)nc2ccccc21 609369565 DOASVMCSYZZTHS-IBGZPJMESA-N 440.572 5.518 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(NC(=O)c2ccccc2)c1 609438057 AMJNCDDIGMETPE-GOSISDBHSA-N 444.560 5.655 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(CCN4CCCC4)cc3)cc2)cc1 609501441 KJLGVNACANTQEF-UHFFFAOYSA-N 425.532 5.436 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(OCc4ccc(F)cc4)CC3)cn2)cc1 611260835 NYCPJZQQMLYSCN-UHFFFAOYSA-N 446.482 5.098 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(OCc4ccccc4F)CC3)cn2)cc1 611260919 VTEFDGIFELIJPR-UHFFFAOYSA-N 446.482 5.098 30 20 IKED CCN1CC[C@@H](NC(=O)c2c(Cl)cc(C#N)cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 611357496 SJFKETBGGYPGCC-IEBWSBKVSA-N 440.733 5.223 30 20 IKED CCC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 619227112 IICGVNWLOFELHS-UHFFFAOYSA-N 428.492 5.010 30 20 IKED N#Cc1ccc(CNc2ccc(C#N)c(NCc3ccc(C#N)c(Cl)c3)n2)cc1Cl 619746728 LJDVBYISTUHDGH-UHFFFAOYSA-N 433.302 5.228 30 20 IKED Cc1nc(-c2ccccc2)ncc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 675908482 NNFYKSQDHNFFNJ-OAHLLOKOSA-N 438.434 5.571 30 20 IKED COc1ccc(-c2ocnc2C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 685143029 HQUYZOWOVFZFDP-AWEZNQCLSA-N 443.406 5.469 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2ccc(C#N)c(C(F)(F)F)c2)cs1 726425986 NFZBXXZAAGZNDF-UHFFFAOYSA-N 443.454 5.473 30 20 IKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(C)s2)cc1 726570845 LZPXRENBWOHALT-UHFFFAOYSA-O 426.974 5.501 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](SCc3ccccc3)C(C)C)n2)cc1 727631408 DSIBRZBYIUOXGY-REWPJTCUSA-N 436.602 5.953 30 20 IKED N#CCOc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 727934179 RKOLNXTWWRLCOM-UHFFFAOYSA-N 432.867 5.228 30 20 IKED N#Cc1cccc(COc2ccc(N[C@@H]3CC(=O)N(c4cccc5ccccc45)C3=O)cc2)c1 728061822 AGFBTKLVIJBNRP-RUZDIDTESA-N 447.494 5.034 30 20 IKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(CCCCC#N)C2=O)cc1 728776769 UMUALCCQZZVITK-JOCHJYFZSA-N 448.592 5.266 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)C(c1ccccc1)c1ccccc1 731061630 FLFKZVLKFZOHSK-LJQANCHMSA-N 444.556 5.252 30 20 IKED COc1ccc(NC(=O)c2ccccc2NC(=O)CCCCOc2cccc(C#N)c2)cc1 731965585 YWUHKPAUFIXWOI-UHFFFAOYSA-N 443.503 5.007 30 20 IKED N#Cc1ccccc1/C=C/C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 733234255 QVGANNVWOXQYTK-WEVVVXLNSA-N 427.357 5.555 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)ccc1OC 733323661 MQVIBSSMMZAWDN-BVAGGSTKSA-N 443.547 5.154 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(Oc3ccccc3)cc2C)ccc1OC 733634569 RDRFMEQNNHUTOV-HXUWFJFHSA-N 445.519 5.799 30 20 IKED Cc1ccc(-c2noc(CCC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)n2)cc1F 739595304 WRCQIOHUUQOJFQ-UHFFFAOYSA-N 446.507 5.033 30 20 IKED Cc1ccc(/C=C/C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)c(Br)c1 739669442 WEHGTVNRJMELCT-DHZHZOJOSA-N 435.325 5.084 30 20 IKED C=CCOc1ccc(C(=O)N(c2ccc(CNC(=O)OC(C)(C)C)cc2C)C2CC2)cc1 741740377 PCSOFTBIQAENFP-UHFFFAOYSA-N 436.552 5.394 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3sc4cc(Cl)ccc4c3Cl)o2)c1 744468094 XSXWTQYKNWONFQ-UHFFFAOYSA-N 430.272 5.487 30 20 IKED CC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nc(C(F)(F)F)cs1 745935292 KCACZWCUHIHHNI-QZTJIDSGSA-N 444.482 6.090 30 20 IKED C=CCn1c(-c2cccc(C)c2)nn(CN(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1=S 747804726 SMZNBGRVDWCRIX-ZEQRLZLVSA-N 448.636 5.633 30 20 IKED Cc1sc(NC(=O)c2ccccc2SCC#N)nc1-c1ccc(OC(F)F)cc1 750844076 NPOXVKQACZNBMA-UHFFFAOYSA-N 431.489 5.588 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1 751299908 RRCNRLCOHBQSNJ-UHFFFAOYSA-N 445.482 5.099 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1 757306025 PBAUVNFJRXFPRS-DEOSSOPVSA-N 445.478 5.773 30 20 IKED C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 760184292 ROHKPJOEZDTFLK-NHYWBVRUSA-N 437.710 5.203 30 20 IKED N#CCOc1cccc(CC(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1 760289979 CLIHZRKAIBBXBN-QFIPXVFZSA-N 443.934 5.214 30 20 IKED N#Cc1c(F)ccc(/C=C2\COC/C(=C\c3ccc(F)c(C#N)c3Cl)C2=O)c1Cl 761479384 JYJGDQNCLHAJRB-ACFHMISVSA-N 431.225 5.081 30 20 IKED Cc1nn(CC(F)(F)F)cc1C(=O)O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 763520997 FZKMZZLSRYGEEJ-GFCCVEGCSA-N 434.258 5.233 30 20 IKED N#C[C@@H](C(=O)Cc1c[nH]c2cc(Br)ccc12)c1nc2ccccc2n1C(F)F 766263159 DEASHKYHPVMFMA-AWEZNQCLSA-N 443.251 5.094 30 20 IKED C=CC[C@@H]1N(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCCC1(C)C 767229763 UCBKKMPNPSVHBH-SOBQPUOHSA-N 448.679 5.323 30 20 IKED Cc1cc([C@H]2NC(=O)N(c3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2=O)ccc1F 771814887 BLZFOSDSQXJSEA-DENIHFKCSA-N 433.870 5.241 30 20 IKED Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 774297921 NCPMBNVIGTVMFG-HHHXNRCGSA-N 449.510 5.175 30 20 IKED COc1ccc(OCc2nc(/C=C/C(=O)c3cc(Br)cs3)cs2)cc1 782370106 SRQBDTHELCHKEH-FARCUNLSSA-N 436.352 5.451 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)NCc2ccc(F)cc2F)sc1-c1cccc(Cl)c1 786565815 ZCRPGBJROYFQLU-QGZVFWFLSA-N 444.890 5.294 30 20 IKED CC(C)N1CC[C@H](NC(=O)Nc2ccccc2O[C@H](C)C#N)[C@H]1c1ccc(Cl)c(F)c1 788297099 PYEAZIMQWCPXGX-UPKQVVFYSA-N 444.938 5.115 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cc(F)ccc3Br)n2)cc1 790766378 AWFGJDSBIXEAAH-INIZCTEOSA-N 440.297 5.002 30 20 IKED Cc1ccc(-n2cnc3c2CCN(C(=O)Nc2ccc([C@@H](C#N)c4ccccc4)cc2)C3)cc1 792733415 XEXHRLIFJWZNTR-VWLOTQADSA-N 447.542 5.426 30 20 IKED Cc1ccc(-n2nc(Br)cc2C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cc1 797570528 HVUCMXZLJRFRHS-AWEZNQCLSA-N 443.370 5.187 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1N1CCC(c2cc3ccccc3[nH]2)CC1 800777085 SKBIRJTYOCEDLY-UHFFFAOYSA-N 431.515 5.048 30 20 IKED C=CCn1c(-c2cccs2)nn(CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1=S 800864472 LLUVUAWDJMZIMP-OAHLLOKOSA-N 428.549 5.341 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)NCc2ccc(C#N)c(Cl)c2)cc1 801634436 YJWLWZCUIBSQKU-AWEZNQCLSA-N 428.920 5.119 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(Cl)c(F)cc1Cl 815503588 VGABBSDRSNBTMW-NSHDSACASA-N 441.311 5.180 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1nc2ccccc2s1 915098134 IMRQGEIZLTUSRS-OAHLLOKOSA-N 443.475 5.858 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccc4ccccc4c3)o2)cc1 915797604 FIBWJVNVGMSMEW-SFHVURJKSA-N 442.544 5.626 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(=Cc3cccc(F)c3)CC2)cc1 916681760 XWEWGYMMRSRARW-AREMUKBSSA-N 425.507 6.192 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc2cccc(F)c2c1COC 916906838 KGHNNRFTZYZLRY-INIZCTEOSA-N 438.524 5.273 30 20 IKED CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(Cl)cc2)cc1 917612759 GQKDYTYCCGUELQ-UHFFFAOYSA-O 434.972 5.775 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1cc(Cl)nc(Cl)c1 918750175 YQESNIYJABOCEI-UHFFFAOYSA-N 425.316 5.176 30 20 IKED N#C[C@@H](C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1)c1nc2ccccc2s1 920106528 RCNYVVQMQGZKBJ-AVRDEDQJSA-N 449.535 5.097 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ccc(-n2c(C)cnc2O)cc1 1144711791 YCGYYOGEHGGLTL-UHFFFAOYSA-N 440.478 5.053 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)cc3C)cc2)CCC1 1785948806 MYUCTKWAHALGDU-QGZVFWFLSA-N 441.959 5.197 30 20 IKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)CCc4ccsc4)cc3)CCC2)c1 1788186847 IUHCYAVWIQGJFA-UHFFFAOYSA-N 447.535 5.139 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc5cc[nH]c5cc4Cl)cc3)CCC2)C1 1789074910 ZUJMNVWNMXGHBG-UHFFFAOYSA-N 433.939 5.535 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cccc4nscc34)cc2)CCC1)C(F)(F)F 1790943109 JDFSDILDICFKBO-UHFFFAOYSA-N 445.466 5.163 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)nn3-c3ccccc3)CCC2)cc1 1791247834 JEMIFOFHHIZHLK-LJQANCHMSA-N 442.563 5.141 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)c3ccc(C)cc3)cc2)CCC1 1791346930 NCCVJDZTOQXNLX-VQTJNVASSA-N 435.568 5.034 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2c1oc1ccccc12 1801202421 WXMPKGCDPIUZBY-PLACYPQZSA-N 442.559 5.606 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3ccoc23)[C@@H]1c1cccnc1 1812230391 PSQWNVDCFJBHKR-GGAORHGYSA-N 445.563 5.140 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccsc2)[nH]n1 1814440550 UXHWHIPAGLZHMX-YXBWYFRISA-N 426.586 5.169 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)ccc2Cl)[nH]n1 1814828371 IUAHIBWZLBPCDX-FQEVSTJZSA-N 444.938 5.277 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc(F)c2F)CC1 1828829962 OKWREKVPBZHFGP-KNQAVFIVSA-N 448.529 5.106 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccsc3[nH]2)CC1 1828831653 WVONWZWXLMGLOC-RBBKRZOGSA-N 439.625 5.231 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)ccc2OCC)CC1 1831375127 ZULSRCCUUIZMTE-GCJKJVERSA-N 447.019 5.184 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@]2(F)CCCC=C2F)CC1 1832978238 JPWYDFWUWCSNGU-NLFFAJNJSA-N 436.587 5.344 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)Nc1ccc(C)c(F)c1 11083157 ULMFQYAFYPBECG-UHFFFAOYSA-O 435.588 6.158 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)n(C2CCCC2)c1C 11328594 VOKJPTUYSUEAIS-UHFFFAOYSA-N 439.516 5.012 30 20 IKED O=C(/C(=C/c1ccc(N2CCOCC2)cc1)c1nc2ccccc2s1)c1ccccc1 16408400 XAFNWJWTPVDGOJ-PYCFMQQDSA-N 426.541 5.556 30 20 IKED COc1cc(C(=O)Nc2ccc(CC#N)cc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 17368398 ISNUPGZHXNEXQZ-UHFFFAOYSA-N 437.839 5.367 30 20 IKED C=CCn1c(-c2sc(NC(=O)c3ccc(-c4ccccc4F)o3)nc2C)n[nH]c1=S 25515427 JJBZJXRVSKGWLL-UHFFFAOYSA-N 441.513 5.210 30 20 IKED CC(C)(C)n1nc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1C1CC1 58515683 FCZZVLGYXVTVHE-UHFFFAOYSA-N 430.527 5.369 30 20 IKED COc1cc(CNCc2ccc(C#N)cc2F)ccc1OCCOc1ccccc1Cl 237306356 YSKBVWXNHJNCKN-UHFFFAOYSA-N 440.902 5.107 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)c1-c1ccccc1 428738701 BLZVJISMOBRGMS-UHFFFAOYSA-N 443.894 5.557 30 20 IKED N#CCC[C@@H](NC(=O)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccccc1 439417970 DUIYEAMJDXZJQA-HXUWFJFHSA-N 440.528 5.063 30 20 IKED N#CCC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1)c1ccccc1 439425028 QUWMBSRPPQTGJF-NRFANRHFSA-N 433.895 5.232 30 20 IKED CCCc1c(NC(=O)c2cn(CCCC#N)c3ccccc23)cnn1-c1ccc(F)cc1 444404342 RULLDCALYWNKER-UHFFFAOYSA-N 429.499 5.475 30 20 IKED CC(=O)N(c1nc(CN2CCCC(C)(C)[C@@H]2C#N)cs1)c1c(C)cc(C)cc1Cl 444738997 ZLQOJBGRUVVWCE-IBGZPJMESA-N 431.005 5.612 30 20 IKED C[C@@H](c1cccs1)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cccs1 461475568 ADUBKBUTXCPQMW-INIZCTEOSA-N 435.578 5.097 30 20 IKED Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)[C@H](C)c2cccc(C#N)c2)C3)cc1 462075829 HLCIUANWDQQBEI-LJQANCHMSA-N 438.531 5.199 30 20 IKED C[C@@H](C(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1)c1cccc(C#N)c1 462130745 KUOAJYLILLKKGB-GOSISDBHSA-N 437.499 5.319 30 20 IKED Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 463275084 IUDDLNZGGWUCRL-DQEYMECFSA-N 439.515 5.225 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)CSc1ccc(C#N)cc1 464230380 GQJZJXNJHZLOAD-UHFFFAOYSA-N 435.936 5.503 30 20 IKED C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CCC(Oc2cccc(C#N)c2)CC1 466809734 RHASZEGCHDLXQN-CQSZACIVSA-N 443.334 5.519 30 20 IKED N#Cc1cccc(-c2nnc(CNc3ccccc3C(=O)Nc3ccc(F)cc3Cl)o2)c1 471615408 SKFPTPIPPDWITM-UHFFFAOYSA-N 447.857 5.265 30 20 IKED N#Cc1ccc(-c2nnc(CNc3ccccc3C(=O)Nc3cccc(Cl)c3)o2)cc1 471627476 MOTYELBJWOOVCY-UHFFFAOYSA-N 429.867 5.126 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 483069576 UTOVEQPOBXOFJD-NRFANRHFSA-N 449.514 5.155 30 20 IKED C=CCSc1ccccc1C(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 485451914 DJDQSMQHHNAVFS-UHFFFAOYSA-N 433.577 5.014 30 20 IKED COc1nc(C)c(Br)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 487003170 WVBKARIYJQSTGX-OAHLLOKOSA-N 442.338 5.083 30 20 IKED C=CCOc1c(Br)cc(CNC(C)(C)c2cc(C(F)(F)F)on2)cc1OC 492067835 YRVMPKBNRPMAIC-UHFFFAOYSA-N 449.267 5.054 30 20 IKED CCC(CC)[C@@H]1C[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CCO1 498385305 MGPYVVVOBQZZOT-DQEYMECFSA-N 437.559 5.393 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)cc1 498432496 DTROFYQRZSMVJS-UHFFFAOYSA-N 430.382 5.368 30 20 IKED Cc1cc(-c2cc(C(=O)[C@H](C#N)c3nc4ccccc4s3)c3c(C)noc3n2)c(C)s1 498700744 YEIVXHXJAVGUGO-INIZCTEOSA-N 444.541 5.976 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1nc2ccccc2o1 503405799 NAWSLDWJOGLRRB-MRXNPFEDSA-N 434.249 5.268 30 20 IKED COCCn1c(C)c(C)c2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)ccc21 503586065 UISAAKIJCDFOLB-JOCHJYFZSA-N 443.572 5.827 30 20 IKED Cc1nc(NC(=O)c2cccc(OCc3ccc(Cl)cc3)c2)sc1SCC#N 504278920 HMVGHXPYYANQSH-UHFFFAOYSA-N 429.954 5.552 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 504923158 FHRONCZZBZBGME-SJLPKXTDSA-N 437.849 5.585 30 20 IKED N#C[C@H](NC(=O)c1cnn(-c2ccccc2)c1C1CC1)c1ccc(OCc2ccccc2)cc1 505352124 WDGTVMHUVJAXMU-SANMLTNESA-N 448.526 5.323 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 509004589 LUWAISPJFDCMIN-UHFFFAOYSA-N 448.375 5.129 30 20 IKED N#Cc1cc(NC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)ccc1OCC(F)(F)F 510343862 VBGWHIKYXVKCBS-UHFFFAOYSA-N 448.832 5.224 30 20 IKED COC(=O)c1cc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)oc1C 510871390 DUCKVFRCUUXCLQ-UHFFFAOYSA-N 433.464 5.011 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 513985371 NUUZNRHIMKAMHE-UHFFFAOYSA-N 426.495 5.733 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)n2)cc1 516269868 BGINVLAKGIITEG-MRXNPFEDSA-N 430.470 5.295 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1OCC 517473659 ICQDHOCJWOBCAG-DLBZAZTESA-N 427.570 5.618 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 517520641 PZTVQODGAAAFHY-SFHVURJKSA-N 429.545 5.610 30 20 IKED C=CCN(C(=O)Nc1ccc2c(c1)oc1ccccc12)[C@@H](C)c1cccc(-n2cnnn2)c1 517529388 RHCCCAFKAJCXNY-KRWDZBQOSA-N 438.491 5.343 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4[nH]c5c(c4c3)CCCCC5)n2)cc1 517800836 LGORSZYSIOKLBX-NRFANRHFSA-N 436.540 5.922 30 20 IKED C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1ccc(C#N)cc1 518829211 CSNVLSGWBNECAX-CYBMUJFWSA-N 430.455 5.507 30 20 IKED CC(C)c1nc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)nn1-c1ccccc1Cl 518849309 ZRJRWIYQOGIVLK-MRXNPFEDSA-N 447.848 5.058 30 20 IKED COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2ccccc2SC[C@H](C)C#N)c1 519451407 CXBFSJUUZSSUQY-OXQOHEQNSA-N 425.554 5.325 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 521078415 ZVWFTUFYCDFYJJ-GOSISDBHSA-N 427.529 6.049 30 20 IKED Cc1ccc(C)c(-n2ccnc2SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 521723697 QTAHYFGUAULVLX-SFHVURJKSA-N 436.606 5.614 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)c2)c1 522480870 OUXHRQLTOMASJY-QHCPKHFHSA-N 435.508 5.751 30 20 IKED Cc1sc2nc(S[C@@H](C)c3ccc(C#N)cc3)n(Cc3ccccn3)c(=O)c2c1C 522822979 CMAWDELPPUEBEN-INIZCTEOSA-N 432.574 5.243 30 20 IKED Cc1ccccc1C[C@H]1CCCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 524481100 JJFUFJMIKYTOSN-HXUWFJFHSA-N 449.605 5.250 30 20 IKED O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1cc(O)ccc1C(F)(F)F 530309394 UOIAIEJZTYZYRT-UHFFFAOYSA-N 429.263 5.326 30 20 IKED CC(C)Oc1ccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c(C(F)(F)F)c1 531027661 HGVSXANNYMEAQY-UHFFFAOYSA-N 447.457 5.158 30 20 IKED CCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cnn1-c1ccccn1 533955101 ACTWFRDHEJCXCG-INIZCTEOSA-N 433.924 5.097 30 20 IKED COc1ccccc1N(C(C)=O)c1nc(CN(Cc2ccc(C#N)cc2)CC(C)C)cs1 534432265 YXOIEYKKKIHZAE-UHFFFAOYSA-N 448.592 5.366 30 20 IKED Cn1cnnc1-c1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1 534914189 TUADXIVIYOXDEF-UHFFFAOYSA-N 429.867 5.052 30 20 IKED N#C[C@H](NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)c1ccc(OC(F)(F)F)cc1 535783035 CZDVAVAUSKZXNV-ORBWHLTESA-N 446.391 5.415 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H](c3ccccc3)[C@@H]3CCOC3)c2)cc1 539028313 ULOUPMIPWBSRIY-BVAGGSTKSA-N 441.531 5.231 30 20 IKED CC1(C)CC[C@@H]2C[C@H](NC(=O)C(=O)Nc3ccccc3SCCC#N)c3cccc1c32 539585132 SLFDUWFSFDQTCG-UZLBHIALSA-N 433.577 5.047 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)cs1 539827414 ZGPRVZOKRZAUQM-PKTZIBPZSA-N 434.540 5.239 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1 540456011 PRVCBIJYWYOAAE-SFTDATJTSA-N 427.548 5.348 30 20 IKED N#C[C@H](NC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1)c1cccc(Cl)c1Cl 541423078 GLRGBBWPJRWUQS-KXBFYZLASA-N 431.367 5.181 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 543883263 DXMGLJODEXXQSV-CABCVRRESA-N 437.491 5.023 30 20 IKED CCN1C(=O)CCc2cc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)ccc21 546824214 VSUMWWORAZEGAD-UHFFFAOYSA-N 441.556 5.402 30 20 IKED CO[C@@H](C)c1nc(Cc2noc(-c3ccc(Oc4ccc(C#N)cc4C)cc3)n2)cs1 547237159 QGRPQQHQAQLCGF-HNNXBMFYSA-N 432.505 5.464 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(c2ncc(C)s2)CC1 549276325 VUZXHVTYRRKYKR-UHFFFAOYSA-N 432.597 5.075 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 564170490 NJGBIGIOQFWNSR-QGZVFWFLSA-N 436.478 5.785 30 20 IKED N#Cc1ccccc1-c1ccc(CN2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)cc1 564526311 YMCJKGRNDOCGOQ-UHFFFAOYSA-N 449.598 5.628 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCCC[C@H]3c3nnc(C4CCC4)o3)c2)cc1 564685493 NETQLXJBXWEPHB-QFIPXVFZSA-N 428.492 5.368 30 20 IKED CC(C)c1ccc(C[C@@H]2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C2)cc1 566316171 JFPRERGVZLWYHQ-QFIPXVFZSA-N 433.571 5.128 30 20 IKED C[C@H](c1ccccc1)n1c(Sc2ccc(C#N)c([N+](=O)[O-])c2)nnc1-c1ccccc1 567530935 SPLJVQQPVLOIMK-MRXNPFEDSA-N 427.489 5.485 30 20 IKED Cc1nc(-c2ccccc2)sc1-c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C 568697141 GCQMRPRFBBZLIB-UHFFFAOYSA-N 438.560 5.079 30 20 IKED C=CCC[C@@H](NCc1ccc(S(=O)(=O)C(C)C)cc1)c1ccc(C(F)(F)F)cc1 572351482 ZYKLKJIBBKRCAJ-OAQYLSRUSA-N 425.516 5.685 30 20 IKED COCC[C@](C)(C#N)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(C)cc1)CC2 578512507 NZFOALZTLVQODO-VNMNUEHBSA-N 425.532 5.079 30 20 IKED CCNc1ccc(C#N)cc1NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 586797034 ZEPLFJDBKWHHPA-UHFFFAOYSA-N 430.455 5.314 30 20 IKED C=CCn1c(SCC(=O)N(C)C[C@@H](C)CC)nnc1-c1ccc(Cl)cc1Cl 599585906 JVRUZXVJDZDNMN-ZDUSSCGKSA-N 427.401 5.035 30 20 IKED N#Cc1ccc(NC(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)cc1Cl 603647318 KGNMJHAODXCBJU-UHFFFAOYSA-N 429.705 5.046 30 20 IKED C[C@@H](Sc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)Nc1sc2c(c1C#N)CCC2 603938273 SLLSFZUDWJYXEO-SECBINFHSA-N 436.484 5.123 30 20 IKED CCOc1ccc(-c2nc(CC(=O)Nc3sc(-c4ccccc4)cc3C#N)cs2)cc1 603968596 DXQCCDQHYXXSGS-UHFFFAOYSA-N 445.569 5.990 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3ccc(C(C)C)cc3)o2)c1 608930103 JZJSMXUELLFYBW-UHFFFAOYSA-N 434.565 5.516 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N(CCc3ccccc3)Cc3ccncc3)o2)cc1 609071858 LMMQNAKZAOWKSK-UHFFFAOYSA-N 437.499 5.010 30 20 IKED CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 609128635 CVRWUWBBGPCEPC-UHFFFAOYSA-N 427.504 5.150 30 20 IKED CC(=O)N(CCC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)Cc1ccccc1 609378642 ZYOMRTFQQYDVHO-UHFFFAOYSA-N 449.498 5.088 30 20 IKED CN(Cc1ccc2ccccc2c1)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609940066 JDYMRGSPIFWQLV-UHFFFAOYSA-N 435.483 5.101 30 20 IKED CCN(C(=O)c1csc(-c2ccc(Br)s2)n1)[C@H](C)c1ccc(C#N)cc1 609967753 DQLQSGNRIUQTQI-GFCCVEGCSA-N 446.395 5.729 30 20 IKED C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C[C@@H](C(F)(F)F)O1 610414985 IJIDLISXKVHHNY-SGTLLEGYSA-N 439.821 5.187 30 20 IKED C=CCOc1ccc(C(=O)N[C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)cc1 611919811 VKNCQCIOEZEFDA-GOSISDBHSA-N 432.495 5.063 30 20 IKED N#C[C@@H](C(=O)c1ccc2c(c1)OCCCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 613347069 WNNZEMOPPHZMNB-HNNXBMFYSA-N 445.327 5.768 30 20 IKED N#Cc1ccc(N2CCC[C@H]2c2nc(-c3cc(Cl)ccc3OCC(F)(F)F)no2)cc1 615133288 WNAWYDIDMFWILT-KRWDZBQOSA-N 448.832 5.544 30 20 IKED Cc1ccc([C@@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c2ccccn2)cc1 619312160 BYRRBGDITVLGSF-RUZDIDTESA-N 435.487 5.360 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)c2ccc(COc3ccc(Cl)cc3)cc2)CC1 619713413 VTLSFDUEQRXSEM-UHFFFAOYSA-N 431.923 5.012 30 20 IKED C=CCN(C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1nc2c(s1)CCCC2 648056951 PKTSZDRZWUSINC-UHFFFAOYSA-N 429.492 5.107 30 20 IKED Cc1c(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)sc2cc(F)ccc12 672444071 HNQQUZNOIMAQBP-NXEZZACHSA-N 427.385 5.988 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)c1Br 682990648 ODCWLWVDVAMTTP-KRWDZBQOSA-N 436.334 5.551 30 20 IKED COc1ccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1F 725744666 SJXXDLWBXLXAMJ-UHFFFAOYSA-N 427.888 5.117 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](c1cc(Br)ccc1F)C(F)(F)F 730405820 NIHWEGPOEWETOF-HWPZZCPQSA-N 446.194 5.074 30 20 IKED Cc1cc(C)n(-c2nnc(S)n2N=Cc2c3ccccc3c(Cl)c3ccccc23)n1 730567776 WRMPDIDJTIHZGL-UHFFFAOYSA-N 432.940 5.211 30 20 IKED C=CCSc1ccccc1NC(=O)COC(=O)CCc1nc2cc(Cl)ccc2s1 730608121 GGSUOFJODGOCRI-UHFFFAOYSA-N 446.981 5.342 30 20 IKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(C2CCC2)C1=O)Nc1cccc(O)c1 731312637 NWYKBRGHUJZZRS-JOCHJYFZSA-N 445.544 5.058 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1sc(C(C)(C)C)nc1C 733080992 JCKYQTSZFLFQJF-UHFFFAOYSA-N 434.491 5.456 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)ccc1OC 733640464 AAYTWONLIYBJKK-SJLPKXTDSA-N 445.972 5.066 30 20 IKED C=CCn1c(COc2ccccc2F)nn(CN2C[C@H](c3ccccc3)C[C@@H]2C)c1=S 734475981 ASIYPEPMBULYBK-AZUAARDMSA-N 438.572 5.154 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(Br)cn2C(C)C)cc1 744033360 PUXKQKFXQDVRMO-KBXCAEBGSA-N 430.346 5.306 30 20 IKED CC(C)(C)c1ncc(/C=C\C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)s1 744036003 WCEQNCWSCQHHJW-QWGSZXSUSA-N 427.982 6.107 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(C)[C@H]2CCC[C@H]2c2ccc(C)cc2)ccc1OC 745821142 YBHAFJNOZBUHNC-VJBWXMMDSA-N 435.568 5.162 30 20 IKED Cn1cc(/C=C/C(=O)c2ccc(-c3ccncc3)cc2)c(-c2ccc3c(c2)OCCCO3)n1 745990774 XSHDXMJMKWNQJU-VQHVLOKHSA-N 437.499 5.207 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 746660768 VAORTIUZHQVEEL-SBUREZEXSA-N 437.465 6.586 30 20 IKED Cc1ncc(C(=O)N2C[C@@H](c3ccc([N+](=O)[O-])cc3)SC2=Nc2ccccc2C)s1 748609582 SAITVTZJJZLRQR-IBGZPJMESA-N 438.534 5.286 30 20 IKED C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCC(c3ccccn3)CC2)c1=S 753971388 FZXJALOGEZQRDQ-UHFFFAOYSA-N 425.989 5.153 30 20 IKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1cnc(C2CCC2)s1 760239171 IAMMMTPCLZRVMG-UHFFFAOYSA-N 440.381 5.059 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)n(Cc3ccncc3)c2C)cc1 762994517 LDVFCSHUWRYYOK-OSPHWJPCSA-N 428.536 5.023 30 20 IKED COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 763933045 XNZWFXGDVODLSL-DQEYMECFSA-N 441.531 5.028 30 20 IKED C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCc1cccc(-c2ccc(C#N)s2)c1 766106023 ATBKEOSCQNVXQA-OAHLLOKOSA-N 443.494 5.812 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/CC(=O)Nc3ccccc3C2=O)cs1 774143970 YYJOKVXMKVVYRA-UVTDQMKNSA-N 437.908 5.090 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(Br)c2Cl)cc1 779837098 LJJSTKVXVVWDEZ-SFHVURJKSA-N 425.713 6.010 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(F)c(F)c2)n1 780305829 NWBXQPYGFBTYSG-MRXNPFEDSA-N 439.487 5.174 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1coc(CNC(=O)OC(C)(C)C)c1 780459321 BTGDDZVNGBSVQY-UHFFFAOYSA-N 447.491 5.529 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2ccccc2O[C@@H](C)C#N)ccc1OCc1ccccc1 780671600 WLDSAYHXYIAUFS-OALUTQOASA-N 445.519 5.448 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(C#N)cc2F)cs1 781108094 NAJVAQSYILTLTP-WEVVVXLNSA-N 425.872 5.388 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 781449310 ZGXZDHCYXZCUSX-ZHRRBRCNSA-N 437.499 5.156 30 20 IKED Cc1ccc(CN(C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C(C)C)s1 783901308 STVTVGFUSJNCFZ-HSZRJFAPSA-N 431.561 5.088 30 20 IKED C=CC[C@H](NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccncc1 786985268 OELSARHIQWYVKQ-SFHVURJKSA-N 431.323 5.195 30 20 IKED C=CC[C@@H](OC(=O)C1CCN(c2oc(C)nc2C#N)CC1)c1ccc(Cl)c(Cl)c1 791054116 NOLLGIOVFJLHJQ-LJQANCHMSA-N 434.323 5.239 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H](c2ccc(Br)cc2F)C2CC2)ccc1OC 794809620 GZAUGJPJHJWMNK-JTSKRJEESA-N 447.348 5.519 30 20 IKED N#CC1(CCCOC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)CCOCC1 800164456 LEHBCYJDNOGBOW-OAQYLSRUSA-N 431.891 5.243 30 20 IKED C[C@@H](OC(=O)C(C)(C)c1cc(F)cc(C#N)c1)C(=O)Nc1ccccc1Cc1ccccc1 803924374 HAXDTENCCHFZRH-GOSISDBHSA-N 444.506 5.136 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2c(C(C)=O)oc3cc(C)ccc23)cc1 805855292 GHRWAUDZQDHPGC-ZHRRBRCNSA-N 430.504 5.347 30 20 IKED CC(C)(C(=O)Nc1ccc(F)cc1OCC#N)c1csc(-c2cc(F)ccc2F)n1 813058867 OOWLLVQNKDGYDK-UHFFFAOYSA-N 431.439 5.046 30 20 IKED CC(C)(C(=O)O[C@H](C#N)Cc1ccc(F)cc1F)c1csc(-c2ccccc2F)n1 816013312 LDPZDWKQSYTMBS-HNNXBMFYSA-N 430.451 5.183 30 20 IKED CCOc1c(Cl)cc(C=NO[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)cc1OC 852180217 KRQTYTMMQRGGCT-AWEZNQCLSA-N 439.339 5.395 30 20 IKED Cc1sc(NC(=O)c2ccccc2SCC#N)nc1-c1ccc(Br)cc1 912659456 JATMGWLRSQAAPM-UHFFFAOYSA-N 444.379 5.749 30 20 IKED CCOc1ccc(SCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 915103785 FFQNREXLCWHLBP-OAHLLOKOSA-N 436.480 5.682 30 20 IKED COc1ccc(CCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC 915103845 GNGVHQWCEFSGTG-CQSZACIVSA-N 434.439 5.141 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 915353903 RHLCXKVWOBAUFW-RUZDIDTESA-N 432.527 6.145 30 20 IKED COc1ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1OC(F)F 916276897 NOMSZSPTCRDAIM-UHFFFAOYSA-N 445.278 5.033 30 20 IKED O=C(Nc1cccc(C=Nn2c(S)nnc2-c2ccccc2)c1)c1ccc(Cl)cc1 916308001 XPJQEPXZYHCFLR-UHFFFAOYSA-N 433.924 5.022 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CSc1cc(Cl)ccc1Cl 916902017 BIBHRJHTUGCAHT-INIZCTEOSA-N 435.376 5.558 30 20 IKED COc1cccc2cc(C(=O)/C=C/c3csc(N(C(C)=O)c4ccc(C)cc4)n3)oc12 917559733 NADVPIJMQNUGNZ-FMIVXFBMSA-N 432.501 5.787 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 920104719 XONCKNRZRIPQHG-SFHVURJKSA-N 431.492 5.177 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1sc2cc(Cl)ccc2c1Cl 920105845 GGVAVIRIMQMQDE-CQSZACIVSA-N 427.312 6.203 30 20 IKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(Cl)cc2)s1 920171900 XGHXZNUDCFAALY-UGSOOPFHSA-N 448.013 5.071 30 20 IKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc[nH]c4cc3F)CCC2)cc1 1786393730 JDYQWJVEKHEGQM-OAQYLSRUSA-N 439.556 5.009 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@H](C(C)C)CC3)CCC2)cc1 1790570078 RHGLTXTVGPVTOS-ACRUOGEOSA-N 441.616 5.384 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C)nc3C)cc2)CCC1 1791770743 JDJCZSAJZBELCD-RUZDIDTESA-N 445.607 5.534 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(F)c(C(F)(F)F)c3)CCC2)cc1 1792266260 GPPWNIOLTICNEV-UHFFFAOYSA-N 432.417 5.006 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCc3cccc(Cl)c31)C2 1798593601 VODFZTHQVYBOFA-IYWMVGAKSA-N 429.004 5.000 30 20 IKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccc(F)cc2)cc1F 1800854550 UNGRXPBKVVIWSI-ZINXYGQCSA-N 438.518 5.096 30 20 IKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccc(C)cc3)CCCCC1)C2 1802634922 BAJJJGKOCPQMDW-QEIWAGNOSA-N 434.624 5.029 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)CC(=C)C)[C@@H]1c1cccnc1 1810497919 KBBGDONXNMUFOR-FGZHOGPDSA-N 425.617 5.072 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3ccoc3c2)[nH]n1 1819555779 AZRPPRWVPIPDAN-FQEVSTJZSA-N 434.540 5.454 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(F)c2Cl)n[nH]1 1821119147 LTCFHFUAZYKICU-IBGZPJMESA-N 444.938 5.277 30 20 IKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)CC1 1828321627 UCMYOKDTECXXDQ-FQEVSTJZSA-N 443.012 5.201 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](F)c2ccccc2)CC1 1829068139 GWZIGUKXGKDPDA-XZOQPEGZSA-N 428.592 5.309 30 20 IKED CCCCc1ccc(-c2ccc(C(=O)N3CC4(CCCN4C(=O)CCC#N)C3)c(C)c2)cc1 1842814814 DEOXSTFRYDNMEK-UHFFFAOYSA-N 443.591 5.125 30 20 IKED C=C(C)CN(CC)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 8641510 ACLSYRWTYXRLAA-UHFFFAOYSA-N 426.973 5.104 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1c(C)cccc1C 11153267 WHRUFYTZWOQBHG-UHFFFAOYSA-O 430.018 5.919 30 20 IKED C[C@H](Cc1nnc(SCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)o1)c1ccccc1 28805906 JFTHCIJCRIYBNF-HRKXOBMBSA-N 433.577 5.389 30 20 IKED O=C(O)CCCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O 59105106 JZQWKVYTQNGTOT-UHFFFAOYSA-N 439.593 5.700 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nnc(-c2ccccc2Cl)s1 60017711 IKVXXNQLNWZEOU-UHFFFAOYSA-N 448.960 6.134 30 20 IKED Cc1ccc([C@H](CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)N(C)C)cc1 65412338 XYFLEGNAEFSWHE-SANMLTNESA-N 442.563 5.065 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 72074640 RVPSILZXSPGQDG-AWEZNQCLSA-N 446.532 5.447 30 20 IKED N#Cc1cc(Oc2ccc3c(=O)c(-c4ccccc4)coc3c2)nc2ccc([N+](=O)[O-])cc12 302673285 OVIOAGWSPFLOKQ-UHFFFAOYSA-N 435.395 5.580 30 20 IKED N#Cc1cc(F)ccc1CSc1nnc(COc2ccccc2F)n1-c1ccccc1 303194426 MTAQWVMZSHQAPW-UHFFFAOYSA-N 434.471 5.288 30 20 IKED CC(C)c1ccc(-c2noc(CCC(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)n2)cc1 303360877 HEWJNNMNOJHYRC-SFHVURJKSA-N 443.334 5.480 30 20 IKED C=C(C)CN1CCC(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC)CC1 431642002 YPEQDMHPOXKQMV-UHFFFAOYSA-N 436.383 5.371 30 20 IKED N#CCCC[C@@H](NC(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1)c1ccccc1 431808052 JKMGBXVBJJUHQO-XMMPIXPASA-N 444.510 5.312 30 20 IKED C=CCn1c(S[C@H](C)Cc2ccc3ccccc3n2)nnc1[C@H]1COc2ccccc2O1 434799033 OANOKCDVVORJLV-UZUQRXQVSA-N 444.560 5.248 30 20 IKED CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)Nc1ccc(OC(C)C)c(C#N)c1 435443044 LVGZJBKFPPNBOF-UHFFFAOYSA-N 436.512 5.224 30 20 IKED N#Cc1ccc(C2(C(=O)Nc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)CC2)cc1 436309487 SKGUEMPSSPFMPQ-UHFFFAOYSA-N 430.895 5.526 30 20 IKED CC[C@@H](C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)c1cccc(C(F)(F)F)c1 437675299 QERZAXRIUWANDA-HXUWFJFHSA-N 439.437 6.205 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)N[C@H]3C[C@H](c4cccc(C(F)(F)F)c4)C3)CC2)cc1 438068427 CMVOHPUOJSKOST-KESTWPANSA-N 443.469 5.076 30 20 IKED N#Cc1ccccc1CSCCNC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 438638892 ZPQVVFRQIAWGRX-UHFFFAOYSA-N 438.940 5.454 30 20 IKED C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccnc4ccccc34)cc2)c1 438665002 BTMHXHMQITTWHZ-UHFFFAOYSA-N 439.471 5.169 30 20 IKED C[C@H](Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C(=O)N(CCC#N)c1ccccc1 439569390 HUGOROQDHZMVTH-SFHVURJKSA-N 446.938 5.340 30 20 IKED C[C@@H](Nc1ccc(COCc2ccccc2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 439647252 NDTSVRQIBZRAGZ-QGZVFWFLSA-N 431.561 5.264 30 20 IKED N#CC1CCC(CNC(=O)[C@H](Oc2ccccc2Br)c2ccccc2)CC1 441146639 KGBAOENNIDXUDO-MYKUNDNFSA-N 427.342 5.015 30 20 IKED Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 441268265 KMDAYGHWWVSQMY-KAGYGMCKSA-N 435.593 5.123 30 20 IKED Cc1ccc(Sc2c(Cl)cccc2NC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 441789626 QPICAUHKFOPRCI-INIZCTEOSA-N 449.963 5.487 30 20 IKED Cc1ccc(C)c([C@@H](C)N(C)C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 442005042 WQKHYRLMKLSMNS-GOSISDBHSA-N 445.494 5.265 30 20 IKED CCN([C@H](c1ccc(Cl)cc1)c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1C#N 443342934 FJFDRFWWBPIFHH-OAQYLSRUSA-N 446.359 5.060 30 20 IKED N#Cc1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1C(F)(F)F 443892682 YYMBWWBAHQOWSM-OAQYLSRUSA-N 437.421 5.077 30 20 IKED C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C 463720476 ANAFPZNGNKOSBT-UHFFFAOYSA-N 427.551 5.132 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1)c1nc(-c2ccncc2)cs1 474968137 NBBNGDYUVZWJAJ-OAHLLOKOSA-N 439.418 5.974 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 476162932 RLUYJBPBIGVDFH-UHFFFAOYSA-N 444.535 5.513 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)c1ncc(C(C)(C)C)o1 476519144 RSZYYJYVEHQQDZ-AWEZNQCLSA-N 432.977 5.835 30 20 IKED O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 477634267 AOWROJPVAPLEAX-UHFFFAOYSA-N 444.234 5.486 30 20 IKED Cc1nc(-c2ccccc2)sc1CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1 477693002 NYWHSJNBAZOVJH-UHFFFAOYSA-N 446.576 5.180 30 20 IKED CC(C)(C)C[C@@H](NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)C(F)(F)F 479278363 MAHFFEQXRKPLBE-CYBMUJFWSA-N 425.348 5.127 30 20 IKED C=CCn1c(S[C@H](C(=O)NCc2ccccc2)c2ccccc2)nnc1-c1cccs1 481370637 JQMJYQKOCINASX-NRFANRHFSA-N 446.601 5.342 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 482167388 HELFGQBIFAAJDV-XMMPIXPASA-N 447.623 5.674 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N(C[C@H]2CCCO2)c2ccc(Br)cc2)cc1 483342538 NOPDNFIPCZUNQZ-HXUWFJFHSA-N 427.342 5.076 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCCc2nc3ccccc3s2)cc1 488011689 URQSHKYCFYIQOO-UHFFFAOYSA-N 443.547 5.859 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(CCc4ccccc4)n3)n2)cc1 499576816 QHUMMWHTSLCDLX-IBGZPJMESA-N 440.553 5.414 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)O[C@@H](C)C2 499846230 ZSDXSEQWEOJLMH-HAHWVIBASA-N 445.346 5.200 30 20 IKED N#C[C@H](NC(=O)c1ccc(COc2cccc(Br)c2)o1)c1ccccc1Cl 499947978 UXSXHMOENSDUKK-SFHVURJKSA-N 445.700 5.269 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)o1 499975976 QXABUZWDDVFCOA-HXUWFJFHSA-N 438.430 5.139 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(Cc1ccco1)c1ccccc1C#N 501020612 SXCOBFRHFAJDTQ-UHFFFAOYSA-N 431.473 5.214 30 20 IKED Cc1ccc(-c2nnc([C@H](C)Sc3nc4c(c(-c5ccco5)c3C#N)CCC4)o2)cc1 501774090 JLTHZJLUFIERTP-HNNXBMFYSA-N 428.517 5.914 30 20 IKED CCCn1nccc1C1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 503117971 DTGALIUQWLBWER-UHFFFAOYSA-N 429.524 5.369 30 20 IKED C[C@@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1cccc(NC(=O)c2ccccc2)c1 506510805 LMXWPWUILHWFGQ-QGZVFWFLSA-N 429.495 5.105 30 20 IKED CCN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)C[C@H](C)C2 509230277 RYEROGVAIYSEOU-CIJMEZBMSA-N 425.532 5.352 30 20 IKED CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccccc1SC[C@@H](C)C#N 509477279 QURGGCDLHMFEDB-SCLBCKFNSA-N 436.002 5.046 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1 509776716 PACGGFLHEMLZGZ-UHFFFAOYSA-N 438.527 5.422 30 20 IKED Cc1cc(OC(F)F)c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)s1 510054866 LEDHOQHZXVYIFF-UHFFFAOYSA-N 428.460 5.555 30 20 IKED CCOC(=O)C1CCC(N(CC)C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 511923069 HNFBBRXYUNLLKM-UHFFFAOYSA-N 436.577 5.293 30 20 IKED C[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccc(Oc2cccnc2)cc1 514150840 FHVKEWBCRGQUFL-LJQANCHMSA-N 442.519 5.060 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1cccc(Cl)c1 515540323 LBRJZTJPAJCSJG-HNNXBMFYSA-N 425.826 5.069 30 20 IKED C[C@H](NC(=O)N[C@@H]1c2cc(Br)ccc2SC[C@@H]1C)c1ccc(C#N)cc1 517079930 JCRWGKFNQLUFSL-JMERFSKESA-N 430.371 5.164 30 20 IKED Cn1ccnc1[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccc(Cl)cc1 518769637 LJMYSJCTDWFWOK-VWLOTQADSA-N 442.950 5.403 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 519436436 OWYUMYCWTBLFEB-GJZGRUSLSA-N 449.498 5.115 30 20 IKED COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 520625213 SRZYMTXRHOYDAK-ROUUACIJSA-N 445.519 5.046 30 20 IKED CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c(C)c1 522312496 CEKSMRYFUPLBEX-IBGZPJMESA-N 441.531 5.226 30 20 IKED CC(C)COc1cn(-c2ccccc2)nc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 523653707 DUBZAMJDJSJRBL-UHFFFAOYSA-N 443.532 5.155 30 20 IKED COCCCN(Cc1ccncc1)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 523951160 PIYQQOPPFRXVHC-UHFFFAOYSA-N 435.911 5.078 30 20 IKED COc1ccc(NC(C)=O)c(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 523957172 QCALRRXROVBMAO-UHFFFAOYSA-N 435.867 5.223 30 20 IKED CCc1c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)nnn1-c1ccc(OC(C)C)cc1 524963162 ZCWLJFLKMOOUHY-KRWDZBQOSA-N 449.580 5.121 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1-c1ccc(Cl)cc1 525326806 PKPUWWLKXPJMRG-AWEZNQCLSA-N 438.314 5.348 30 20 IKED Cc1nnc(-c2cccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)c2)o1 531046774 XQCZNWXOLRLSGP-UHFFFAOYSA-N 430.851 5.615 30 20 IKED COc1cccc(COc2cccc(NC(=O)N[C@@H](CCC#N)c3ccccc3)c2C)c1 534484993 TURKJOWVHZURMM-DEOSSOPVSA-N 429.520 5.749 30 20 IKED C[C@H](NC(=O)N(C)Cc1ncc(-c2ccccc2)[nH]1)c1ccc(-c2cccc(C#N)c2)cc1 541159110 RVWZEKQBKTUAKV-IBGZPJMESA-N 435.531 5.518 30 20 IKED C=CCC[C@@H](NC(=O)NC1CCN(c2nccs2)CC1)c1ccc(C(F)(F)F)cc1 543998453 LKVXCTPROQRISJ-GOSISDBHSA-N 438.519 5.137 30 20 IKED Cc1ccsc1[C@@H](Cc1ccccc1)NCC(=O)Nc1ccccc1S[C@H](C)CC#N 544416154 ZQLWTSFQNYEZLC-DENIHFKCSA-N 449.645 5.963 30 20 IKED C[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc([N+](=O)[O-])cc1F 544425906 AWIQTBUNHZBBBW-AWEZNQCLSA-N 437.402 5.066 30 20 IKED COc1cc(C#N)ccc1OCc1nc(-c2ccnc(Oc3ccccc3Cl)c2)no1 545707651 RDMJUBVVVYHZEL-UHFFFAOYSA-N 434.839 5.037 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3Cl)CC2)c(F)c1 552342627 OLBLGRXFEPMVSE-MSOLQXFVSA-N 433.310 5.178 30 20 IKED COc1ccc([C@H](C)CCNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1 553028684 DFCIUKGYNKQNLW-GOSISDBHSA-N 439.987 5.137 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(F)cc2OC2CCOCC2)c1 553278332 OYXZWXBSRQJVMP-UHFFFAOYSA-N 446.478 5.086 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 554166237 GKKZFQKOVOBVRH-UHFFFAOYSA-N 443.551 6.047 30 20 IKED C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 564143063 JZPIOGIBSRINDC-RHSMWYFYSA-N 427.898 5.008 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@H](COCC)C1 570297601 ALADVHGAFJIFHZ-RTWAWAEBSA-N 434.584 5.400 30 20 IKED N#Cc1cccc(COc2cccc(CN3CCCC[C@H]3c3nnc(C4CCC4)o3)c2)c1 573726163 QQSMOLQGLSWHPA-DEOSSOPVSA-N 428.536 5.515 30 20 IKED C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]1c1cccc(OC)c1 576742712 CCQODDTZYIBIKF-HXUWFJFHSA-N 436.581 5.115 30 20 IKED N#CCCn1cc(CN2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c(-c2ccccc2)n1 589197937 CPEGTCPWSLFYCJ-JOCHJYFZSA-N 443.599 5.009 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NCCc3c[nH]c4cc(Cl)ccc34)cc2)ccn1 589363775 KBHDEDJYPFORPC-UHFFFAOYSA-N 431.883 5.244 30 20 IKED N#C[C@H](C(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1nc2cc(F)ccc2s1 592973526 GZBHVHBUTCBSLR-HXUWFJFHSA-N 442.471 6.251 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 596386435 MZNARLRYDOIEIW-INIZCTEOSA-N 441.984 5.861 30 20 IKED COc1ccc(CN(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OC 598783092 DMHJZDUTLLMGRO-UHFFFAOYSA-N 432.545 5.140 30 20 IKED CCOc1ccc(N(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)c2nc3ccccc3s2)cc1 602016586 HFVHHKLQWFVWCI-QGZVFWFLSA-N 443.528 5.699 30 20 IKED CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)Nc1ccc(C#N)cc1 603501244 HNCLTCPQNMOETM-UHFFFAOYSA-N 444.491 5.252 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1Cl 603765879 BKCNQYOVVFZQGS-PMACEKPBSA-N 433.870 5.199 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1nc2ccccc2o1 603940157 NCKLBJHUBAPRGH-INIZCTEOSA-N 433.807 5.672 30 20 IKED C=CCN1CCC(NC(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)CC1 605127435 UCGRYWSZJYNLPE-UHFFFAOYSA-N 447.366 5.018 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Nc4ccc(C)nn4)c3)n2)cc1 606146302 MPWMEJKVVJRECC-FQEVSTJZSA-N 441.516 5.151 30 20 IKED C=C(C)COc1cccc(NC(=O)[C@@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)c1 608947422 WLRQPQMEQLQRHY-OAHLLOKOSA-N 443.594 5.229 30 20 IKED CC(C)(C)c1csc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)n1 609206454 KEIBRNQQNRMZKD-UHFFFAOYSA-N 434.565 5.407 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc1 609297878 PHLQBNAAGYSXAR-NRFANRHFSA-N 432.451 5.300 30 20 IKED Cc1nc(COc2cccc(C(=O)NC3CCC(Oc4ccccc4C#N)CC3)c2)cs1 609508511 FTOUXJDJTRWFIM-UHFFFAOYSA-N 447.560 5.022 30 20 IKED N#Cc1cc(NC(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)ccc1F 609556559 WPAXGVVUVKYLLS-UHFFFAOYSA-N 447.445 5.071 30 20 IKED CC[C@@H]1CCc2sc(-c3nnc(Sc4c(C#N)nnc5ccccc45)n3C)cc2C1 610129261 UGEGPANNGJAICZ-CYBMUJFWSA-N 432.578 5.025 30 20 IKED CC(C)OC1CCC(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 611048115 KOAVRCNCUWKOER-ZNIKRAEXSA-N 425.960 5.853 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)Nc3cccc4c3CN(c3ccccn3)C4)cn2)c1 611140763 LWSZVKRLEVSEJK-UHFFFAOYSA-N 448.486 5.305 30 20 IKED N#C[C@H](C(=O)c1ccc(COc2ccc(Br)cc2)o1)c1ccc2ccccc2n1 613292534 NZWSDELFWIDOTR-IBGZPJMESA-N 447.288 5.659 30 20 IKED N#Cc1ccc(CS(=O)(=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1F 616188444 OXTOWHBATSDQNF-UHFFFAOYSA-N 434.319 5.709 30 20 IKED COc1ccc2c(c1)OCCN(C(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)C2 619791992 NIIVRBHYVSRYKC-JOCHJYFZSA-N 447.922 5.431 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)c2c(F)cccc2F)nnc1-c1ccc(Cl)cc1 642046031 GQFMXJDORGXWEW-ZDUSSCGKSA-N 448.926 5.032 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2ccc(OC(F)F)cc2)nnc1-c1ccc(F)cc1 669910028 UXKBOQVLAWVBTE-CYBMUJFWSA-N 433.455 5.235 30 20 IKED O=C(N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2 674471733 DSACXBOPUPXZAH-GULXMPTCSA-N 437.346 5.335 30 20 IKED O=C(NC1CCC(c2ccc(F)cc2)CC1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 679791412 MJTIMRQVZQDZAX-UAOKOLBASA-N 426.376 5.234 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)ccc2C)[n+]2ccc(C(C)(C)C)cc2)c1 726573376 YTQGEPXBVFOLOE-UHFFFAOYSA-O 441.620 6.193 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)Nc1ccc(Cl)c(Cl)c1 727979019 TVXQRAAUZVIVOK-UHFFFAOYSA-N 442.371 6.561 30 20 IKED Cc1cc(C)nc(NN=C2CCCc3nc(-c4ccc(Br)cc4)sc32)n1 728428807 BUHQNUNSBSNLSI-UHFFFAOYSA-N 428.359 5.132 30 20 IKED Cc1nc(-c2ccccc2)ccc1C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 731067744 GNELXTVAFSAULM-KRWDZBQOSA-N 445.544 5.104 30 20 IKED CSc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 732378764 BVEANJVKVMWHNT-QGZVFWFLSA-N 446.528 5.451 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 732708992 WQYBPCDRANWQIX-GOSISDBHSA-N 436.414 5.117 30 20 IKED C#CCN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCOc2ccc(Br)cc21 733112389 HZSVBGUHFMPREM-KEYYUXOJSA-N 444.291 5.103 30 20 IKED COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C 734389085 NFSQUJKIADSMKM-UHFFFAOYSA-N 437.805 5.389 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccncc2)n1)c1ccc(SC(C)C)cc1 735976663 PICPUNHQCDLLGH-UHFFFAOYSA-N 431.487 5.894 30 20 IKED CC(C)OC(=O)NCc1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1 737858429 GZNPQVHPGVZTQN-UHFFFAOYSA-N 428.492 5.189 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCO[C@@H](c4ccccc4Cl)C3)c2)s1 740064681 QPQBZKLZFNVCFB-OAQYLSRUSA-N 437.952 5.223 30 20 IKED Cc1ccc(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)cc1NC(=O)OC(C)(C)C 742699050 PWBKYCGIHBGFIH-UHFFFAOYSA-N 445.523 5.269 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1NC(=O)OC(C)(C)C 744030039 YMCGPDDXGHRUCV-FQEVSTJZSA-N 443.503 5.456 30 20 IKED C=CCN(CCc1ccccc1)Cn1nc(-c2ccc(F)c(F)c2)c2ccccc2c1=O 744153779 GKGJVDHOYLBFNR-UHFFFAOYSA-N 431.486 5.030 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(C)[C@@H]2CCC[C@H]2c2ccc(C)cc2)ccc1OC 745821143 YBHAFJNOZBUHNC-XPWALMASSA-N 435.568 5.162 30 20 IKED O=C(/C(=C\c1ccc(Br)cc1)c1nc2ccccc2oc1=O)c1ccccc1 746957728 GEVDDRGEALILQE-JXAWBTAJSA-N 432.273 5.374 30 20 IKED O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2)c1ccncc1 747003245 FOHRVRYNUBCEPX-CLFYSBASSA-N 437.499 5.051 30 20 IKED COc1ccc(CNC(=O)c2oc3ccccc3c2CSc2nc(C)cs2)cc1C#N 747065295 PANYNTYEPFILQU-UHFFFAOYSA-N 449.557 5.300 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnc(-c3ccc(C)cc3C)s2)cc1 747111813 RVSSPPHBKFWPRS-KKSFZXQISA-N 431.561 5.902 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(OC3CCCCC3)CC2)c1=S 747799756 BCRDKMPCNOLXQA-UHFFFAOYSA-N 447.048 5.692 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 748004537 ZZOMRHCFDWDENT-LIRRHRJNSA-N 448.504 5.193 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1C#N 752304189 GVCTVGRMPCEFET-LJQANCHMSA-N 446.429 5.514 30 20 IKED CCCCCCN(C(=O)c1cc(C#N)cs1)c1nnc(-c2ccc(Cl)cc2)s1 752413700 KEPFKSKIRKAAHV-UHFFFAOYSA-N 430.986 6.019 30 20 IKED CCc1nc(C(=O)N2C[C@H](c3ccc([N+](=O)[O-])cc3)SC2=Nc2ccccc2C)co1 753485784 DKORAODTWBTTGM-LJQANCHMSA-N 436.493 5.072 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1ccccc1-c1ccccc1C#N 754431154 FFRWCZURGRRGLA-UHFFFAOYSA-N 427.504 6.133 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](c2ccccc2F)C2CCCC2)ccc1OC 756029705 DSCPNDFNOZILKL-YADARESESA-N 439.531 5.246 30 20 IKED Cc1csc(SCc2c(C(=O)N3CCc4ccc(C#N)cc43)oc3ccccc23)n1 757544495 OLMZDSPJMHAPFQ-UHFFFAOYSA-N 431.542 5.565 30 20 IKED C[C@H](C[C@@H](O)c1ccccc1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 758570341 YXESSFYAHZTOKL-OUPRXKBMSA-N 433.939 5.629 30 20 IKED CCOc1ccc(C=NO[C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)cc1OC 760422029 VDVFHUKNZNNYSE-LBPRGKRZSA-N 436.295 5.562 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(Cc2ccc(Cl)cc2)CC1 771171261 MMJLKHGVUUUURV-INIZCTEOSA-N 442.968 5.239 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1 772551915 RUMOTCBBWUSWLG-FQEVSTJZSA-N 449.551 5.428 30 20 IKED Cc1ccccc1-c1nc(C)c(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)s1 775122789 QUCDHKBTOUFHRW-UHFFFAOYSA-N 443.528 5.335 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 781550948 GTDZBMVBLDEYBC-ACAGNQJTSA-N 446.459 5.037 30 20 IKED COc1ccccc1-c1ccc(C=Nn2c(S)nnc2CSc2ccccc2)cc1 782245347 MJFKDDPIAYVYTJ-UHFFFAOYSA-N 432.574 5.417 30 20 IKED Cc1ccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1C(F)(F)F 782974018 ORNSPFTYVXFJCA-HXUWFJFHSA-N 437.421 5.247 30 20 IKED N#C[C@@H](C(=O)[C@H](Sc1ccccc1Cl)c1ccccc1)c1cnc2ccccc2n1 792110566 OLHIUZCTAUMFAB-MZNJEOGPSA-N 429.932 5.993 30 20 IKED COc1ccccc1-c1ncc(/C=C\C(=O)c2ccc(OC(F)F)cc2OC(F)F)cn1 792857876 GGXAONCNHBRLQH-TWGQIWQCSA-N 448.372 5.251 30 20 IKED N#CC[C@@H](CC(=O)OCc1ncc(-c2ccccc2Br)o1)c1ccccc1 795994948 YADUSZKQAYJMJW-INIZCTEOSA-N 425.282 5.235 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)s1 797569438 QJIRKLBJKRWEFW-NSHDSACASA-N 430.883 5.186 30 20 IKED N#C[C@@H](C(=O)/C=C/Sc1cc(F)ccc1F)C(=O)Nc1ccc(SC(F)F)cc1 797943010 MNAHTHYHZIENBW-NPQIQWPPSA-N 440.443 5.233 30 20 IKED CC(C)(C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1csc(-c2cccs2)n1 800387594 UEQAFLDUKXKNEZ-LBPRGKRZSA-N 444.006 6.289 30 20 IKED C=CCNC(=S)/C(=C(/O)c1cc(C)c(C)cc1C)[n+]1cc(O)cc(-c2ccccc2)c1 811722404 ILYJIONGPWAUSE-UHFFFAOYSA-O 431.581 5.259 30 20 IKED N#Cc1ccc(Br)c(CNc2ccc(OCc3ccccn3)c(Cl)c2)c1 864007573 LKQINVLJHVKACK-UHFFFAOYSA-N 428.717 5.560 30 20 IKED COc1cccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1OC 915101720 KFRKYLNBNFRQGL-QGZVFWFLSA-N 426.925 5.290 30 20 IKED C=CCn1c(Cc2ccccc2)nn(CN(C)Cc2ccccc2C(F)(F)F)c1=S 915203470 QNXMQDPPGACISE-UHFFFAOYSA-N 432.515 5.299 30 20 IKED C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(-c2cccs2)nn(CN(CCC#N)CCC#N)c1=S 915794583 XXQDLIJFTAHSHN-XWSJACJDSA-N 440.642 5.227 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C\C(=O)c1ccc(CC(=O)O)cc1 915989658 BIHLMGMJJZWIPQ-KHPPLWFESA-N 429.303 5.070 30 20 IKED O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(Br)s1 916134344 KVHYRAVBWSEFTI-HJWRWDBZSA-N 446.753 6.312 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3)cc12 916899531 PSJKMKUTURLUNZ-SFHVURJKSA-N 434.908 5.010 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3c(C)nc4ccccn34)cc2)CCC1 1788924188 QFABHTIDRBIIDH-UHFFFAOYSA-N 444.579 5.383 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc4c(C)cccc4[nH]3)cc2)CCC1)C(F)(F)F 1789274127 BSACSPCEPACNSX-UHFFFAOYSA-N 441.453 5.343 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)nc3)CCC2)cc1 1791247465 XYFRKQKARGDZKK-HNNXBMFYSA-N 431.458 5.060 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)COc3cccc4ccccc34)CCC2)cc1 1791582183 ZWYKYCBRQACSIB-UHFFFAOYSA-N 440.543 5.156 30 20 IKED C[C@]1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)CC1(F)F 1792248106 IILNZPDLPRXJTF-OAQYLSRUSA-N 443.881 5.005 30 20 IKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1[nH]c2c(Cl)cccc2c1C 1796700941 IJMWTKIPEFZNIN-REPLKXPHSA-N 439.987 5.150 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c2cccc(Cl)c12 1798244308 DKALOYWUXDVEPQ-BJWYYQGGSA-N 427.976 5.066 30 20 IKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1-c1ccc(C)cc1)C2 1801696649 QLGHQRWOSPGBBZ-WKCHPHFGSA-N 438.518 5.125 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(F)cc1C(F)(F)F 1803860072 ROIAIEBUKWHVPX-BJWYYQGGSA-N 440.481 5.089 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CSc3ccccc3)C2)CC1 1809285134 CJBQQKYQAPWSCN-UHFFFAOYSA-N 428.642 5.002 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)cc(OC)c2)n[nH]1 1821015618 VJTMDEFHQQJWEO-NRFANRHFSA-N 438.572 5.025 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@]2(F)CCCC=C2F)n[nH]1 1823592086 YGKNDAWCCNKISE-GAJHUEQPSA-N 434.531 5.140 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)nc2F)CC1 1823750559 NVLZMFROLRFQGL-LJQANCHMSA-N 449.998 5.100 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)Cc2ccco2)CC1 1823755082 KULJWVKJNBJETI-REWPJTCUSA-N 428.617 5.070 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ncccc23)CC1 1828829058 XHZKZOONODTSNO-BKMJKUGQSA-N 445.607 5.237 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)c(O)c(C)c2)CC1 1828829790 NUEIHJRRJAAEOL-RPWUZVMVSA-N 438.612 5.011 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)cccc2F)CC1 1832547290 NJDDXKWLLRILKZ-HSZRJFAPSA-N 426.576 5.136 30 20 IKED O=C(/C(=C(\S)Nc1ccccc1)[n+]1cccc(O)c1)c1ccc(-c2ccccc2)cc1 10170312 WDQVTOMLUJPIOZ-UHFFFAOYSA-O 425.533 5.398 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)CCC2)=C(/S)Nc1ccccc1Cl 10827368 VQKTXUGZVAKABW-UHFFFAOYSA-O 436.000 5.730 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)cc1)[n+]1ccc(N(C)C)cc1 14871735 KAEOQMXHYXJLKT-UHFFFAOYSA-O 439.004 5.307 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc3c(c2)CCCC3)cc1C 14872451 CLAKJFDDTOUNJY-UHFFFAOYSA-O 447.599 5.968 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CNc1ccc(Br)c(C(F)(F)F)c1 15125371 GVSXIYIJTLYIGL-UHFFFAOYSA-N 432.627 5.044 30 20 IKED C[C@@H](OC(=O)c1cc(F)c(F)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCCCC2 15715980 YTMYVMLGJJVSFG-SNVBAGLBSA-N 438.883 5.004 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3cccc(NC(=O)C4CCC4)c3)c2)c1 60973812 UBTMJIQRRDTTMX-UHFFFAOYSA-N 425.532 5.166 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Oc3cccnc3)cc2)cc1Cl 63303794 YXWQYDSUIGLGDV-XMMPIXPASA-N 439.902 6.435 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1Cl 108505232 DADOYWCNRNLYHY-FPOVZHCZSA-N 449.963 5.300 30 20 IKED CC(C)(C)c1ccc(N2CCC(NCc3cn(CCC#N)nc3-c3ccccc3)CC2)cc1 236753258 QJLMELAEGKLUHG-UHFFFAOYSA-N 441.623 5.520 30 20 IKED C=CCCc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 410352603 PHUAORWQADKHOG-UHFFFAOYSA-N 441.560 5.179 30 20 IKED Cc1nc([C@H]2CCCOC2)sc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 429703236 ZOLQYPMLIUOACW-STQMWFEESA-N 445.516 5.237 30 20 IKED Cc1ccc(SC2(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)CCCC2)cc1 429790094 FKJSAZAUYZETLX-UHFFFAOYSA-N 447.604 5.149 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 429924526 LEEPPACZKRHWDD-AWEZNQCLSA-N 449.498 5.498 30 20 IKED N#CCCC[C@H](NC(=O)NCC1(c2cccc(Br)c2)CC1)c1ccccc1 431963476 FJODKSPKEZLUFN-FQEVSTJZSA-N 426.358 5.215 30 20 IKED CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCC(=O)Nc1ccccc1C#N 432476594 NKIWOSXOVOXBFL-UHFFFAOYSA-N 432.351 5.411 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 438134170 XWYXIEFZPQROIV-ZWKOTPCHSA-N 441.413 5.059 30 20 IKED N#CCC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 439300640 FOIQQPLQCDRSDN-VWNXMTODSA-N 428.923 6.162 30 20 IKED CC(C)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1[N+](=O)[O-] 439639873 ANZOYVPYXQASAD-CQSZACIVSA-N 427.432 5.610 30 20 IKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(-n2cccn2)cc1 440601714 LBLZSWCHUCVDPR-IBGZPJMESA-N 438.556 5.527 30 20 IKED C=CCC[C@@H](NC(=O)N1CCO[C@@H](c2cccc(O)c2)C1)c1ccc(C(F)(F)F)cc1 441546782 VKZYLAFNNOIAIH-NHCUHLMSSA-N 434.458 5.201 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)NC1(c2cccc(C(F)(F)F)c2)CCOCC1 445243345 NJUOHWQMZYOAFV-UHFFFAOYSA-N 447.457 5.192 30 20 IKED C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 460380777 AQYZQRLMFBLAOV-CTNGQTDRSA-N 443.576 5.482 30 20 IKED C=C(C)Cn1c([C@@H]2COCCO2)nnc1N(Cc1cccc2ccccc12)C1CCCC1 460923085 CHZPQIYVVDRBRJ-DEOSSOPVSA-N 432.568 5.045 30 20 IKED CCN(C(=O)[C@H](C)c1cccc(C#N)c1)[C@@H](c1ccc(Br)cc1)c1cccnc1 463818639 PYDNOVMLIHSGRX-HXOBKFHXSA-N 448.364 5.457 30 20 IKED C[C@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1nc(C2CCCCC2)no1 464698301 YHYOBPDPYPJZPI-KRWDZBQOSA-N 430.508 5.059 30 20 IKED C[C@@H](NC(=O)N[C@@H](c1cc(F)ccc1F)c1ccccc1Cl)c1ccc(C#N)cc1 465669606 ZOISVSNKRHTWNW-JLCFBVMHSA-N 425.866 5.640 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1cccc(C)c1 468649035 SGPYRQSBKNMYBN-GOSISDBHSA-N 431.565 5.960 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3Cl)ccc21 469951586 YCBVTLSTZCGPEV-OALUTQOASA-N 442.346 5.319 30 20 IKED Cc1cc(-c2noc([C@@H](C)NC(=O)Nc3ccccc3S[C@H](C)CC#N)n2)ccc1F 473824757 VZKZRCFLEWLELX-HUUCEWRRSA-N 439.516 5.461 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 475550616 HYVIAAVSQGOUKZ-GOSISDBHSA-N 435.568 5.079 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)cc1 475756603 JKXCLZKDNIOZOB-UHFFFAOYSA-N 438.531 5.330 30 20 IKED N#CC1CCN(C(=O)Nc2cc(Br)ccc2Oc2ccc(Cl)cc2)CC1 483488810 VYTPXMBXBPGGKN-UHFFFAOYSA-N 434.721 5.662 30 20 IKED COCCN(C[C@H]1CC=CCC1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 484188140 FNLDVRYYFKBPGQ-QFIPXVFZSA-N 433.552 5.168 30 20 IKED CC[C@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 485862820 FVOBXTPWVHJGAQ-RUZDIDTESA-N 441.531 5.076 30 20 IKED C=CCn1c(SCc2nc(-c3cc(F)c(F)c(F)c3)no2)nnc1-c1ccc(C)cc1 486614422 GFYJIRDAZGUFFY-UHFFFAOYSA-N 443.454 5.199 30 20 IKED C=CCc1cc(CNC(=O)N[C@H](c2c[nH]c3ccccc23)C(F)(F)F)cc(OC)c1OC 490775609 XQIWFZVWCORKNP-OAQYLSRUSA-N 447.457 5.016 30 20 IKED CCN(C(=O)[C@@H](C)Oc1ccccc1C#N)[C@H](c1ccc(C(C)C)cc1)c1cccnc1 496501246 YYYJSJCIJUXVCX-FQRUVTKNSA-N 427.548 5.482 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 499387764 CEXUVNGSMJZNKQ-PMACEKPBSA-N 448.320 5.559 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 502101501 RITIOZAQTGIHAM-IAGOWNOFSA-N 449.366 5.865 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(-c3ccccc3)no2)cc1Cl 505646946 QGLALIOXWRDSFD-JOCHJYFZSA-N 442.906 5.972 30 20 IKED COc1cc(NC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(OC)c1 505770875 ISPCSHXYSOTLTA-MRXNPFEDSA-N 448.331 5.380 30 20 IKED C=CCOc1ccc(C(=O)N[C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)cc1OC 505814700 YNZPUYOOQHTEPK-HNNXBMFYSA-N 438.549 5.192 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)c1 505955380 WBWKDRVAMCTGRK-SFHVURJKSA-N 437.849 5.338 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)cc1 507826019 OKYHDMADOQTXIU-INIZCTEOSA-N 435.911 5.760 30 20 IKED CCOc1cc(C(=O)N(CC)[C@@H](C)c2ccc(C#N)cc2)ccc1OCc1cccnc1 509574883 KQJYEIIPHCPHDL-IBGZPJMESA-N 429.520 5.154 30 20 IKED N#C[C@H](C(=O)c1ccccc1CSc1nc2ccccc2o1)c1nc2ccccc2o1 510598458 NKUDISZXMDEWCE-QGZVFWFLSA-N 425.469 5.751 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@@H](C#N)c1nc2ccccc2o1 510627995 KBTDJDHCWNDAQE-CQSZACIVSA-N 435.892 5.594 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1Sc1ccnc(-c2ccccc2)n1 511854145 FYIQSFKYPDEHIM-UHFFFAOYSA-N 435.940 5.305 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccccc2NC(=O)c2ccccc2)c1 513464014 SVROILMYXVSILE-UHFFFAOYSA-N 447.494 5.642 30 20 IKED COc1cc(Cl)c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1OC 513727042 DWEAHALGMPQKQM-UHFFFAOYSA-N 436.895 5.255 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1 514152364 URHMLOQTKJGXMJ-HXUWFJFHSA-N 428.536 5.674 30 20 IKED C=CCN(C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1nc2c(s1)CCCC2 514596707 YZYPCYQXNLEGHB-QFIPXVFZSA-N 445.588 5.102 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1c1cccc(Br)c1 519450376 CTZPVKFLOMVBLT-BEFAXECRSA-N 444.398 6.070 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(F)ccc1I 519516250 DWYWLGFRAIALOJ-NSHDSACASA-N 440.281 5.077 30 20 IKED C=CCN(CCc1ccccc1)C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 520096388 IBUVGOCXAYSNIL-UHFFFAOYSA-N 432.524 5.006 30 20 IKED CC(C)S(=O)(=O)Cc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 521957628 NYPQTPKDQDPTHM-UHFFFAOYSA-N 448.544 5.120 30 20 IKED CC(C)n1c([C@@H](C)NC(=O)c2cccc(COc3ccccc3C#N)c2)nc2ccccc21 522924397 CDRQNXKFLFCPSJ-LJQANCHMSA-N 438.531 5.559 30 20 IKED CC[S@](=O)c1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524422973 QCLWHUNQIUWUQK-PMERELPUSA-N 438.936 5.170 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(C(F)(F)F)cc1 524439107 HEXRZGNHJHTEDG-UHFFFAOYSA-N 439.437 5.786 30 20 IKED CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccccc2SCCC#N)cc1 524563497 RSBYKLHWTSAXQA-MRXNPFEDSA-N 427.595 5.009 30 20 IKED Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)n1 532228431 BSIPBWSDGVHSTE-VWLOTQADSA-N 426.520 5.404 30 20 IKED Cn1ccnc1-c1csc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)n1 534154019 AQHLHIGZYOJBFY-UHFFFAOYSA-N 435.896 5.113 30 20 IKED Cn1cc(-c2ccccc2CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cn1 535466861 APAQUHATQQZUHR-UHFFFAOYSA-N 441.466 5.212 30 20 IKED COc1cccc([C@@H]2CN(C(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)CCO2)c1 535637311 VGOKDNYURIADLK-DEOSSOPVSA-N 448.906 5.226 30 20 IKED Cc1cc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)ccc1NC(=O)c1cccs1 536185242 MEBDZQPFKWVGHV-SFHVURJKSA-N 443.450 5.322 30 20 IKED C=C[C@H](CC(=O)N1CCC[C@@H](N(C)C(=O)C[C@H](C=C)c2ccccc2)CC1)c1ccccc1 536232739 MJIJXWSOSZXDTD-CLCZQPDDSA-N 444.619 5.546 30 20 IKED C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 537188794 SKJZIAJMTIVBPS-CRAIPNDOSA-N 447.377 5.014 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CNC1(c2cccc(C(F)(F)F)c2)CCC1 539357058 RDZMXHXZWORHRL-MRXNPFEDSA-N 447.526 5.707 30 20 IKED N#Cc1c(F)cccc1-n1ccc(NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)n1 540980437 VXCSWILMWSWOGO-UHFFFAOYSA-N 443.404 5.098 30 20 IKED C[C@@](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)(c1ccc(F)cc1)C(F)(F)F 541938007 FHHTULMHOWKYEO-OAQYLSRUSA-N 429.373 5.092 30 20 IKED Cc1ccnc(OC2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)c1 543852462 RBWCBEPVXJUKDW-UHFFFAOYSA-N 428.492 5.129 30 20 IKED N#Cc1cc(C(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)ccc1Cl 544416735 GRBLQQFRQMYPQS-INIZCTEOSA-N 426.948 5.127 30 20 IKED C[C@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc([N+](=O)[O-])cc1F 544435078 KCWRGCLTXFOLLR-INIZCTEOSA-N 433.439 5.121 30 20 IKED C[C@@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc([N+](=O)[O-])cc1F 544435388 HMUKJRFHXAJURB-MRXNPFEDSA-N 433.439 5.121 30 20 IKED CCCc1c(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cnn1-c1cc(C)ccn1 546923956 AIDJDRWLHACJEN-UHFFFAOYSA-N 430.556 5.090 30 20 IKED CC1(C#N)CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2cccs2)CC1 549947847 CPIXITZEDACJLZ-UHFFFAOYSA-N 432.380 5.492 30 20 IKED N#CCCN(C(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1)C12CC3CC(CC(C3)C1)C2 554736919 MYDJMXFYYCVUIE-UHFFFAOYSA-N 442.485 5.216 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(F)c1Cn1cccc(C)c1=O 569032515 KOPCDVDMESGOMX-UHFFFAOYSA-N 445.947 5.279 30 20 IKED N#Cc1ccc(-c2nnc(N3CCC(c4ccsc4)CC3)n2Cc2cccs2)cc1 578911536 BGCYZOPJTBWBAP-UHFFFAOYSA-N 431.590 5.372 30 20 IKED CCOc1cc(Br)c(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1OCC 583864214 YNHMNNFPJQZLMS-UHFFFAOYSA-N 449.320 5.174 30 20 IKED Cc1c(-c2nc(-c3ccccc3NC(=O)c3ccccn3)no2)sc2ccc(C#N)cc12 589950274 JXYUWOONYVGWNZ-UHFFFAOYSA-N 437.484 5.446 30 20 IKED C=CCN(Cc1cccs1)C(=O)N[C@@H]1c2cc(Br)ccc2SC[C@@H]1C 591420328 RSDBEDJJJTYIOL-UGSOOPFHSA-N 437.428 5.691 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1 592973582 BQISMZNSSRBKNN-QGZVFWFLSA-N 431.423 5.729 30 20 IKED N#C[C@@H](C(=O)c1ccccc1SCc1cscn1)c1nc2cc(F)ccc2s1 592974513 SMEKEAQNXIYYIO-HNNXBMFYSA-N 425.535 5.674 30 20 IKED C=CCn1c(Sc2nc(C(F)F)nc3ccccc23)nc2sc3c(c2c1=O)CCC3 595526983 LYSJFQMUTBOVIL-UHFFFAOYSA-N 442.516 5.165 30 20 IKED N#Cc1ccc(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1Cl 603947177 BSEQLFRHVGRMTO-WIOPSUGQSA-N 443.934 5.330 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 604342721 QKBDMGUNVRSRQS-UHFFFAOYSA-N 445.466 5.669 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC(c2ccccc2F)CC1 605957472 ZJWGFHVKCXVBTN-ZIAGYGMSSA-N 440.403 5.624 30 20 IKED C[C@H](CNC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F 608467122 SLGKUOIKJIDJNS-GMTAPVOTSA-N 432.355 5.277 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccnn3[C@H]3CCCc4ccccc43)o2)cc1 609058539 AQECPLXHZJBDLE-QHCPKHFHSA-N 438.487 5.105 30 20 IKED CCOCCOc1ccc(Cl)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 609103505 GRASVJGZMPHTDS-UHFFFAOYSA-N 440.883 5.051 30 20 IKED COCCn1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c2ccccc21 609164363 LYLCMRLUNNXSEF-JOCHJYFZSA-N 443.934 5.849 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@H](COc3ccccc3)c3ccccc3)cc2)nc1 609505157 ASWISEUNVKOOBO-RUZDIDTESA-N 435.483 5.296 30 20 IKED CN(C)[C@@H](CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1cccs1 609729758 SKRNOXGFRAUESX-IBGZPJMESA-N 425.941 5.098 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)c1C 610053783 WKBRGBBOQWXXJM-ZDUSSCGKSA-N 427.335 5.485 30 20 IKED C=CCN(C(=O)[C@H](C)c1cccc(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 610220384 ITUFCRXTTLSROL-CQSZACIVSA-N 427.913 5.694 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(OCC4CCCCC4)CC3)cn2)cc1 610319635 DKNGRTKQIOHXNR-UHFFFAOYSA-N 434.540 5.339 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](C[C@H]3CCOC3)C2)cc1Cl 611357342 XENYUKSDRSCGNY-YCRNBWNJSA-N 437.971 5.666 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCCC[C@@H]3c3nc4ccccc4o3)cn2)cc1 614137567 MZGJYNWXTYOGNX-OAQYLSRUSA-N 439.475 5.646 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(C(=O)N[C@H](C)c3cccc(C#N)c3)C2)n1 618467905 NZMNINAIRPAOHM-XLIONFOSSA-N 446.576 5.341 30 20 IKED C=CCn1c(SCc2csc(C3CCCCC3)n2)nnc1-c1ccccc1OC 643093963 JHDSTOVMVUPTGN-UHFFFAOYSA-N 426.611 5.936 30 20 IKED C=CCn1c(Sc2nc(-c3cccnc3)nc3sc4c(c23)CCCC4)nnc1C1CC1 669624472 FNRWOWDHOKFELQ-UHFFFAOYSA-N 446.605 5.438 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc(-c2ccccc2)nc2onc(C)c12 726319140 ZFBZDZLJBURQCP-LJQANCHMSA-N 434.455 5.193 30 20 IKED CC(C)CC(=O)N[C@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 727368934 RPRMYHDSQRNZCW-AHWVRZQESA-N 425.532 5.184 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 728034049 UCXUNILDKZXFTH-IBGZPJMESA-N 432.442 5.108 30 20 IKED Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C/c1cccc(OCC#N)c1 730148648 IUYGJQAPRRCJQB-MDZDMXLPSA-N 439.334 5.680 30 20 IKED CCc1ccccc1O[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1 730690260 QWYWRZKQTGGSSO-YADARESESA-N 445.469 5.990 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 730988918 FBJGVOKGPALARU-HXOBKFHXSA-N 442.540 5.645 30 20 IKED CCn1c(SCc2ccc(OCC#N)cc2)nc2scc(-c3cccs3)c2c1=O 731156611 WZLSDTKVTWCQSN-UHFFFAOYSA-N 439.587 5.401 30 20 IKED CN(C)C(=O)Sc1cccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1 731418287 UWKQYBACOHEBFJ-UHFFFAOYSA-N 431.517 5.163 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc(OCC#N)cc1 731985780 CVMYPNHSEWPDFD-UHFFFAOYSA-N 449.429 5.136 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)O[C@H](CC(F)(F)F)c1ccc(Br)cc1 731995417 ZRLWIPNUMFIIML-YVEFUNNKSA-N 442.231 5.325 30 20 IKED Cc1ccc(CN(Cc2ccco2)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)s1 733620979 GGGXAXCRFSHPHS-VWLOTQADSA-N 441.556 6.539 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC2)c1 733770678 JVAPQTJSDFENBG-FQEVSTJZSA-N 448.954 5.323 30 20 IKED COc1ccccc1N=C1SCCN1C(=O)c1ccc(Oc2ccncc2)c(Cl)c1 733911868 TZVOLMJHHHLQIA-UHFFFAOYSA-N 439.924 5.413 30 20 IKED C=CC[C@H](NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)c1ccncc1 734458927 GGWZTMPKIWVEHK-QHCPKHFHSA-N 431.486 5.874 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C(C)C)cc2)[n+]2cc(O)cc(Cl)c2)c1 738006630 JUIWWENNQBFLJB-UHFFFAOYSA-O 449.983 5.761 30 20 IKED Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)c1ccccc1OCC#N 741970153 VZNJKPRGSWIOPN-UHFFFAOYSA-N 442.494 5.886 30 20 IKED Cn1c(CC(=NOCc2ccn(-c3ccc(F)cc3)n2)c2ccccc2)nc2ccccc21 742357848 RNHTZSDKWGZATB-UHFFFAOYSA-N 439.494 5.062 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 743232978 PXLANNRTCPMTQM-GOSISDBHSA-N 439.556 5.501 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC(c4cc5ccccc5[nH]4)CC3)s2)cc1 744277398 UDLWYDXEKFALHT-UHFFFAOYSA-N 441.560 5.498 30 20 IKED CCCOc1ccc(C=NO[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1OC 744443529 LHCVRWXHOPERJE-CQSZACIVSA-N 449.429 5.665 30 20 IKED Cc1ccccc1-c1nn(-c2ccccc2)cc1/C=C/C(=O)c1ccc(N2CCOC2=O)cc1 748584506 RRUPGKHXEWMZFU-DTQAZKPQSA-N 449.510 5.700 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(-n3ccnc3C)cc2)cs1 751518207 RKHZLHSARVBUAF-MDWZMJQESA-N 442.544 5.526 30 20 IKED N#C[C@H](C(=O)CCSc1ccnc2cc(Cl)ccc12)c1nc2cc(F)ccc2s1 751839407 LJAMPBIEEJUEHC-OAHLLOKOSA-N 441.940 5.996 30 20 IKED CC(C)C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)N1CCCCC1=O 756231928 PLKLJGYIGIZFCW-HKUYNNGSSA-N 429.973 5.067 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(-c3ccc(Cl)cc3F)s2)cs1)C1CC1 758037956 BEOHEZLGCBQNKR-XVNBXDOJSA-N 446.956 6.076 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 758072957 SQBGNHBMGXEOJT-HSZRJFAPSA-N 438.886 5.334 30 20 IKED COc1ccc(C(=O)CCCCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1 760197407 XBGMCENOCJLPRY-QGZVFWFLSA-N 425.435 5.060 30 20 IKED Cc1nn(C)c(C)c1[C@@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(F)(F)F 760761019 BGTRAHPPULUKOT-HXUWFJFHSA-N 429.398 5.161 30 20 IKED C[C@@H](Sc1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 761872913 UAMCHXLJXZFQRY-KBMIEXCESA-N 443.572 6.017 30 20 IKED C[C@](O)(CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc(Cl)c1 765145060 BLEWVFJCASHNHM-VWLOTQADSA-N 449.938 5.014 30 20 IKED CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 765590652 XAEBLBMNCRTPHM-ZBFHGGJFSA-N 441.459 5.442 30 20 IKED Cc1ccc(C(=O)CCCC(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 766275122 MMAZQABQVQFERY-GOSISDBHSA-N 430.476 5.010 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2C[C@H](c3ccccc3)c3ccccc32)ccc1OC 770610460 DRJOACRLTBLTOM-JTHBVZDNSA-N 441.531 5.238 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2coc3c(C)cc(Br)cc23)cc1 770847370 NVAIJIFLPZWTQR-QGZVFWFLSA-N 425.282 5.027 30 20 IKED CCCN(C(=O)c1ccccc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)C(C)C 771529429 ZDYMAZFZSRYLNY-UPVQGACJSA-N 432.568 5.251 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 777941188 CRSXDTOKUGUSEV-QVKFZJNVSA-N 440.469 5.460 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N(C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 780668482 WVGJEZKXNBEMID-GOSISDBHSA-N 449.530 5.383 30 20 IKED C=CCN(C(=O)c1cc(Cl)ncc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 782210218 KNHXEWFEZLVMMX-UHFFFAOYSA-N 435.292 5.253 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)OCC3(C#N)CCCC3)cs2)cc1 784931112 ZZYWVHCUQSFOKD-UHFFFAOYSA-N 441.553 5.322 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)O[C@@H](c3ccc(C(F)(F)F)cc3)C(C)C)CC2)o1 790866241 JTXZONCHPAVKKX-LJQANCHMSA-N 435.446 5.030 30 20 IKED CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1ccccc1O[C@H](C)C#N 792399974 UBZPSFCRUHSYLX-ZHRRBRCNSA-N 441.959 5.205 30 20 IKED CCOC(=O)[C@@H]1C/C(=C\c2csc(COc3ccc(OC)cc3)n2)C(=O)c2ccccc21 802708398 UOQSOAYNGOHXRC-CNCHJIQNSA-N 449.528 5.047 30 20 IKED C=CCSc1ccccc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)OC(C)(C)C)CC2 807784826 LLXQMRRQJFMEIC-AWEZNQCLSA-N 445.610 5.056 30 20 IKED C#C[C@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccc(Cl)cc1 810167625 MMZRRIQEMUHWPN-KRWDZBQOSA-N 428.275 5.335 30 20 IKED COc1ccc(-c2cc3[nH]c(/C(Cl)=C/c4cccc(F)c4C#N)nc(=O)c3s2)cc1 811687645 IHBOXFVFBVYHPT-SXGWCWSVSA-N 437.883 5.408 30 20 IKED CCC(CC)(Cc1nc2ccccc2s1)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813217115 BSMOSPDMTFXVKD-HNNXBMFYSA-N 431.483 5.935 30 20 IKED N#Cc1cc(C(=O)O[C@H](c2ccc(C(F)(F)F)cc2)C(F)(F)F)cnc1C(F)(F)F 816087969 SIYHYQMEMCDROR-CYBMUJFWSA-N 442.237 5.451 30 20 IKED COc1ccc(OCCCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 915104843 VHCIZKBVPMTENY-MRXNPFEDSA-N 434.439 5.359 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)n2)cc1 916973023 SBBOONPYMNIWEM-CTNGQTDRSA-N 444.560 5.239 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/COc3c(F)cc(F)cc3C2=O)cs1 920066070 JWLKHPNSDFHCOV-AUWJEWJLSA-N 426.444 5.073 30 20 IKED Cc1oc(-c2cccs2)nc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806923 SSTAVAFHSKJKPF-NSHDSACASA-N 427.457 5.603 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=S)Nc2ccc(OC(F)F)cc2)cc1 920994865 YZRGESGLEIKXJR-UHFFFAOYSA-N 441.478 5.698 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cccnc2N2CCCCC2)cc1 921031974 KSESNOMHOZWTPU-UHFFFAOYSA-N 442.588 5.166 30 20 IKED C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc2nc(O)oc2c1 1465516730 YLQDOKVEDMSDHV-AWEZNQCLSA-N 446.438 5.006 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)CCC1 1785784805 IJDKDZVTEFUARX-SFHVURJKSA-N 429.520 5.302 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c(-c5ccc(F)cc5)c4)CCC3)cc2)C1 1785806899 OTRVDAKMVHMBAH-UHFFFAOYSA-N 443.522 5.535 30 20 IKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)c(C)o1 1787342238 MAQXJJMDFCEJKO-ZHACJKMWSA-N 448.544 5.145 30 20 IKED Cc1ccnc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)c1 1788713667 WIJCVJCMXGMGBS-LJQANCHMSA-N 438.531 5.079 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4cccc(C)c4[nH]3)cc2)CCC1 1789254581 JKCVPFKXBKNGPZ-SFHVURJKSA-N 446.551 5.025 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cccc(OC)c3)cc2)CCC1 1791390955 XZSOCMAENVCQAT-MDWZMJQESA-N 440.490 5.054 30 20 IKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1CSc1ccccc1)C2 1801640660 QTSAKQPEYUFIIK-XBYSBRQOSA-N 448.632 5.443 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccnc(C(F)F)c2)n[nH]1 1816079477 XXYCWFYVODRFJP-GOSISDBHSA-N 445.514 5.041 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)noc2C)CC1 1825766457 MQKGYHAQJQAARX-WMZHIEFXSA-N 449.595 5.096 30 20 IKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/Sc2ccc(C)cc2)CC1 1828880478 YJSIHNSWPIFAAP-ZOSFRFIDSA-N 438.637 5.024 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(F)c(Cl)c2)CC1 1831376140 LAQJRZGVLUKRGL-MGPUTAFESA-N 438.946 5.064 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)Oc2ccc3ccccc3c2)CC1 1831859228 ISAXPBJOUPKPKL-RUZDIDTESA-N 448.607 5.193 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1ccccc1OC 10118216 XRTRXEQBRRAMJT-UHFFFAOYSA-O 431.990 5.311 30 20 IKED COc1ccc(-n2c(SCc3ccc(C#N)cc3F)nnc2-c2ccccc2OC)cc1 10243266 NLVJPZLNDCWOAE-UHFFFAOYSA-N 446.507 5.255 30 20 IKED COc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc3c(c2)CCCC3)cc1 15247862 VJTGQYSRRNYXTE-UHFFFAOYSA-O 449.571 5.360 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2C)nnc1-c1ccc(OC)cc1 16864987 OCNNFPYTBINWIA-OAHLLOKOSA-N 442.972 5.221 30 20 IKED Cc1c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)oc2ccc(Cl)cc12 18118927 WXKZJGOFNWVZIL-UHFFFAOYSA-N 440.937 5.662 30 20 IKED C[C@@H](C#N)CN(C)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 63747504 MEGWHBDSODVFRL-KRWDZBQOSA-N 443.938 5.032 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)C1(C#N)CCCCC1 65079405 HJJSPTSUBCPCTK-UHFFFAOYSA-N 429.442 5.679 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1Cl 108505230 DADOYWCNRNLYHY-CTNGQTDRSA-N 449.963 5.300 30 20 IKED Cc1nnc(SCc2c(C(=O)N(C)Cc3cccc(C#N)c3)oc3ccccc23)s1 109391522 HOPPMCRKHUYLAS-UHFFFAOYSA-N 434.546 5.029 30 20 IKED Cc1sc([C@@H](C)NCc2cccc(OCCCC#N)c2)nc1-c1ccc(Cl)cc1 237335024 CQFCGIGXOWCXJV-MRXNPFEDSA-N 425.985 6.305 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(F)cc2C(F)(F)F)cc1 302953957 OPFHNAFXPXHVGB-UHFFFAOYSA-N 444.453 5.938 30 20 IKED Cc1ccc(C)c(OC2CCN(CC(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)c1 303400389 QSRXURRKYSGUOG-IBGZPJMESA-N 437.609 5.037 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(Br)c(Cl)c2)c1-c1ccccc1 428514218 FJBVERZBOBCGGY-UHFFFAOYSA-N 429.705 5.132 30 20 IKED Cc1cc([C@H]2CCCN2CC(=O)Nc2ccccc2SCC#N)ccc1Br 430243225 UPMHGQJRUBKPRQ-LJQANCHMSA-N 444.398 5.149 30 20 IKED CCn1ccnc1[C@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 430902331 YYQXVMWFNKGOLM-YADARESESA-N 427.552 5.439 30 20 IKED CN(Cc1ccccc1NC(=O)CCCC(=O)Nc1ccccc1C#N)C1CCCCC1 432589004 RYGBSOHVEPWYLH-UHFFFAOYSA-N 432.568 5.070 30 20 IKED C=CCN(C(=O)CS[C@H](C)C(C)=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 434829749 HLBNKRBGEQRRPU-GFCCVEGCSA-N 429.394 5.347 30 20 IKED CCC[C@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccc(Cl)c(Cl)c1 434845566 ZNGVLQPDTAIWME-KRWDZBQOSA-N 435.355 5.018 30 20 IKED COc1ccc2[nH]cc(C3=CCN(C(=O)Nc4ccc(OC(C)C)c(C#N)c4)CC3)c2c1 435561487 VFAMPJQNZFZKDR-UHFFFAOYSA-N 430.508 5.157 30 20 IKED COc1ccc(-c2ncc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)s2)cc1OC 436018353 CVJTZGPWWNRPLP-OAHLLOKOSA-N 448.331 5.129 30 20 IKED CCOCCOc1c(Cl)cccc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 438090336 AJRWJDOJFNTNAZ-WIYYLYMNSA-N 427.932 5.059 30 20 IKED CCSc1cccc(NC(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 440358412 SQFROVDIBRBVEG-UHFFFAOYSA-N 445.544 5.021 30 20 IKED Fc1ccccc1-c1noc(CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)n1 444737642 RFHVRGCWFVUZFU-HNNXBMFYSA-N 433.327 5.678 30 20 IKED C[C@@H](NC(=O)CN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 444742055 IDNWEQHTJZMMSB-SJKOYZFVSA-N 436.371 5.305 30 20 IKED C=CCN(C(=O)c1ccnn1CC(F)F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 448134271 IMQOBENRBLAWOQ-UHFFFAOYSA-N 443.306 5.411 30 20 IKED CSc1cccc([C@H](NCc2cccc(OCCCC#N)c2)c2cc(F)ccc2F)c1 462742316 PMTYBRPIGFXOCU-VWLOTQADSA-N 438.543 6.248 30 20 IKED C=C(C)COc1cc(CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)ccc1OC 464051103 ZMNMIKHIYYMTPF-UHFFFAOYSA-N 448.510 6.082 30 20 IKED N#Cc1c(NC(=O)c2cc(COc3ccccc3F)on2)sc2c1-c1ccccc1CC2 464438664 BOANZTHSSXSYGL-UHFFFAOYSA-N 445.475 5.344 30 20 IKED Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 464724625 IDIXJRWSRDXYKJ-UHFFFAOYSA-N 432.299 5.005 30 20 IKED Cc1nnc(-c2cc(F)ccc2NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 471386781 XBZGLACWKMAUON-UHFFFAOYSA-N 433.283 5.474 30 20 IKED COc1ccc(C[C@@H](NC(=O)C[C@H](CC#N)c2ccccc2)c2ccccc2)cc1OC 475583034 DQRWZKWBPCSVCF-BJKOFHAPSA-N 428.532 5.191 30 20 IKED CCOC(=O)c1c(NC(=O)N2CCC(F)(C#N)CC2)sc(C)c1-c1ccc(C)cc1 477788797 IHOKWNVKIRBDKV-UHFFFAOYSA-N 429.517 5.068 30 20 IKED C=C(C)C[C@@H](C)C(=O)Nc1cc2c(cc1Br)CN(C(=O)[C@H](C)CC(=C)C)C2 480827951 NYUYWDDFHKIEAA-HZPDHXFCSA-N 433.390 5.434 30 20 IKED CCS[C@@H]1CCCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C1 481313871 HVOSQXOPFZGFRU-HXUWFJFHSA-N 425.554 5.499 30 20 IKED CN(C[C@@H]1OCCc2ccccc21)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481594664 HPABZLGKDUAMJO-VWLOTQADSA-N 445.494 5.054 30 20 IKED C=CCN(C(=O)c1nn(-c2ccccc2)cc1OCC)c1nc(-c2ccccc2)cs1 482262740 APQVJMCAUTVRNQ-UHFFFAOYSA-N 430.533 5.227 30 20 IKED CC(C)c1c(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccccc1Cl 482579037 HXSXIDMCTWLTJL-AWEZNQCLSA-N 432.833 5.553 30 20 IKED Cc1ccc(Sc2ccc(C(=O)[C@H](C#N)c3cnc4ccccc4n3)cc2[N+](=O)[O-])cc1 483208337 XVDMXEBLAMAPLV-GOSISDBHSA-N 440.484 5.488 30 20 IKED CC(C)CN(C(=O)C[C@H](CC#N)c1ccccc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 483983114 WMUWKYOFNWYRFA-IBGZPJMESA-N 448.548 5.795 30 20 IKED CC(C)NC(=O)Nc1cccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 488024021 MLRJIDDKMSUJGZ-UHFFFAOYSA-N 444.510 5.070 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 494028187 PLCGMEUFYYKRPJ-SJORKVTESA-N 440.638 5.685 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Nc2cccc(COC(C)C)c2)cc1 502496431 UKHLMVCDLJJXIN-UHFFFAOYSA-N 431.492 5.928 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(Br)c2Cl)cc1 502949212 LTTQAVWZPPKLKG-UHFFFAOYSA-N 433.733 5.169 30 20 IKED N#CCCn1cc(CN2CCC(c3nc4ccccc4s3)CC2)c(-c2ccccc2)n1 506111830 IBPPKZSIRFDBTI-UHFFFAOYSA-N 427.577 5.453 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 510235943 CWPBVEAVTPZUBF-UHFFFAOYSA-N 439.431 5.005 30 20 IKED COc1ccc([C@@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1F 511354501 YFLFZMDTCLMEIP-QGZVFWFLSA-N 433.483 5.362 30 20 IKED O=C(c1ccc2nc(C(F)(F)F)cn2c1)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 512381549 SEDNUVWYOZIIAO-SFHVURJKSA-N 445.338 5.083 30 20 IKED N#C[C@@H](C(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc(C(F)(F)F)cn1 513203134 YGHCHTIIWVJGQK-HXUWFJFHSA-N 446.432 5.502 30 20 IKED CSc1nc(C(C)C)nc(C)c1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 515676640 PIQASYGOALVPPX-UHFFFAOYSA-N 445.548 5.007 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc2sc3ccccc3n12 517447880 VNLYZUDMHUATBK-CYBMUJFWSA-N 439.591 5.069 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCCOc1ccccc1-c1ccccc1 518166807 XYEFMEDSTNKDNA-LJQANCHMSA-N 431.561 5.806 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(Cl)sc1Cl 518668647 JKAXQZAPFUBQDH-UHFFFAOYSA-N 425.284 6.332 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCSc1ccccc1Br 520924218 PKTVDGHPKXKSJS-AWEZNQCLSA-N 435.412 5.964 30 20 IKED Cc1ccccc1-n1nc(C)c(CN(C)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1C 521260242 AMTOMSVAMMZDSZ-KRWDZBQOSA-N 447.608 5.713 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCCOc1cccc(Br)c1 521327045 NVOBEHFVYHSNMK-OAHLLOKOSA-N 433.371 5.641 30 20 IKED C=CCN(CC1CCCCC1)C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 522599050 INWCTPKCKBZARU-UHFFFAOYSA-N 440.609 5.402 30 20 IKED Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 523125331 PRWOVGGUMZKMQD-UHFFFAOYSA-N 442.588 5.411 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 523516485 IHGSVAYAMMVTED-LJQANCHMSA-N 447.535 5.692 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ccc3c(c2)OCO3)n1)c1nc(-c2ccccc2)cs1 524013533 UIQTZIFGOTZFGP-HNNXBMFYSA-N 431.498 5.152 30 20 IKED CC(C)Sc1ccc(Cl)cc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 524664226 JYRABOVFXHHPAS-UHFFFAOYSA-N 431.005 5.308 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(C)n2[C@H]2CCC[C@H](C)C2)c1 535332747 KVSSMYBRPFXFNM-LRQRDZAKSA-N 439.629 5.382 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1c(F)cc(C)cc1I 537799987 DNSRNCWMFKZDTM-UHFFFAOYSA-N 430.286 5.020 30 20 IKED C=CCNC(=O)c1cccc(-c2noc(CCCC(=O)c3ccc(Cl)c(Cl)c3)n2)c1 544402836 UTAUTIUNUFHMEK-UHFFFAOYSA-N 444.318 5.165 30 20 IKED N#Cc1ccc(-c2nnc(N3CCC(c4cccc(Cl)c4)CC3)n2C[C@@H]2CCCO2)cc1 549476829 SPBNEDRTVYSJDF-QHCPKHFHSA-N 447.970 5.033 30 20 IKED C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 552070432 PKEDIGUPUIOFLQ-DLBZAZTESA-N 427.951 5.218 30 20 IKED CC1(C(=O)NCc2ccc(-c3cccnc3)cc2)CCN(c2ccc(Cl)cc2C#N)CC1 553038250 WNBGQLPLHNBZEK-UHFFFAOYSA-N 444.966 5.197 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 553079542 VEONEALUEKLPSP-UHFFFAOYSA-N 438.505 5.050 30 20 IKED C=CCN(CCc1ccccc1)Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1 555679068 ITYOFNPMAJFOCC-UHFFFAOYSA-N 433.621 5.984 30 20 IKED N#Cc1ccccc1-c1ccc(CN2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)cc1 558132760 VERCLBLJYBDYKG-HXUWFJFHSA-N 426.442 5.440 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 558995477 DUPLDPXVFZESNR-VDVKDMFPSA-N 444.579 5.066 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl 562163590 DLXBHUCUCOUIPS-UHFFFAOYSA-N 445.995 5.208 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@H](c2ccccc2)c2ccccc21 566836151 QDRKITIOORZQLX-GHTZIAJQSA-N 441.556 5.056 30 20 IKED CCN(Cc1ccccc1Br)C(=O)Nc1ccccc1SC[C@H](C)C#N 567367611 PATBXBVLDLKUAU-OAHLLOKOSA-N 432.387 5.755 30 20 IKED CC(C)c1noc(Cc2ccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cc2)n1 572730163 AKUQGHJLWXJFDR-UHFFFAOYSA-N 442.475 5.080 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(C(F)(F)F)ccc1OCCC 573514610 OZZXZEIUKWHIFJ-UHFFFAOYSA-N 426.435 5.190 30 20 IKED Cc1ccccc1C1(CNC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)CCCCC1 577133066 YOXJAEOAVMILDQ-LJQANCHMSA-N 449.620 5.204 30 20 IKED N#CCCn1ncc(-c2nc(-c3ccc(OCc4cccnc4)cc3)no2)c1-c1ccccc1 584762444 BVOHTMSSBMTADA-UHFFFAOYSA-N 448.486 5.155 30 20 IKED N#CCCCCCC(=O)Nc1nc2cc(Br)ccc2n1Cc1ccccc1 588622595 NCVLZLNXWLZEED-UHFFFAOYSA-N 425.330 5.260 30 20 IKED Cc1ccc(-c2ccc(C(=O)N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c(F)c2)cc1 592609746 MBOBHKOXVOZLSW-HOTGVXAUSA-N 433.367 6.004 30 20 IKED C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603054511 XLTNCXWYHKSWQE-SVDPJWKOSA-N 435.767 5.272 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)CCCC(=O)N2 603619252 ZEZPNJDPDBCZNA-UHFFFAOYSA-N 427.479 5.128 30 20 IKED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)Sc2nnc(-c3ccc4ccccc4c3)o2)CC1 603726444 IZKJPZNFYHCRDW-VTPMOLMCSA-N 434.565 5.301 30 20 IKED Cc1ccc2nc(COc3ccccc3C(=O)Nc3sc4c(c3C#N)CCCC4)cn2c1 603727648 JARUPZJAIYTPKP-UHFFFAOYSA-N 442.544 5.286 30 20 IKED CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c12 603764228 ITFUPFDZNADGLU-UHFFFAOYSA-N 439.475 5.364 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(F)cc2Br)cc1 604003860 MCEGIVUPIBILQL-UHFFFAOYSA-N 439.284 5.486 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c2)c1 604691100 CHOSTJZKGZXWOP-HXUWFJFHSA-N 427.460 5.376 30 20 IKED N#Cc1cccc(COc2ccc(NS(=O)(=O)c3cc(Cl)sc3Cl)cc2)c1 609068180 ARYBRWHRSRWNCU-UHFFFAOYSA-N 439.345 5.306 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NCC3(c4cccc(C(F)(F)F)c4)CC3)cc2)nc1 609503147 ARFPOIQPYLTWJB-UHFFFAOYSA-N 437.421 5.226 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)c3cccc(COc4ccccc4C#N)c3)n2)cc1 609627733 OEENVASABPXTMX-UHFFFAOYSA-N 436.496 5.385 30 20 IKED CCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)[C@@H](C)c1cccc(O)c1 609844897 PFUFGVMCKMLYGP-KRWDZBQOSA-N 449.938 6.111 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)C3(c4ccccc4F)CC3)s2)c(C(F)(F)F)c1 609856840 SJFVQAWTPDWGKB-UHFFFAOYSA-N 445.441 5.434 30 20 IKED COCCN(CCC#N)C(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1 610558661 CAGNRVODHCLXEF-UHFFFAOYSA-N 442.878 5.214 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 615517832 KTRMZAKENBLPDS-UHFFFAOYSA-N 429.520 5.192 30 20 IKED Cc1ccc(C(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1F 622517070 YQDGMBBHVPVEFU-QGZVFWFLSA-N 435.339 5.385 30 20 IKED C=CCn1c(SCCCC(=O)c2ccc(Br)cc2)nnc1-c1ccco1 638643728 MVVKGZMJJPGDJG-UHFFFAOYSA-N 432.343 5.242 30 20 IKED O=C(Nc1cccc(OC(F)(F)F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642482820 LQPROTQXEOQFMH-IUCAKERBSA-N 438.290 5.616 30 20 IKED O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)NCc1c(F)c(F)cc(F)c1F 674457031 GLALRJZMDARJKN-UHFFFAOYSA-N 448.363 5.244 30 20 IKED N#Cc1ccc(NC(=S)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)cc1Cl 726449773 BYEIQKYVAKBWTA-UHFFFAOYSA-N 436.972 5.396 30 20 IKED O=C(CON=Cc1cccc(OCc2ccncc2)c1)Nc1ccc(-c2ccccc2)cc1 727433906 DQKWCYROQKIZMR-UHFFFAOYSA-N 437.499 5.317 30 20 IKED Cc1ccc(Cl)c(NC(=S)Nc2cccc(OCc3cccc(C#N)c3)c2)c1Cl 728443658 BVVMEHHHYYWWHR-UHFFFAOYSA-N 442.371 6.561 30 20 IKED N#C[C@@H](C(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1ccc2ccccc2n1 730071688 QKPXBDHUJBCDAR-CLOONOSVSA-N 430.479 6.223 30 20 IKED Cc1ccc(-c2nnc([C@H](C)OC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)o2)cc1 730375088 DGAYDFCQCSAZFT-INIZCTEOSA-N 443.434 5.766 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1 730395529 GGKGGLMMJCQBGL-CQSZACIVSA-N 446.862 5.631 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 732495852 IRHWYMPAFUDGKD-UZUQRXQVSA-N 438.487 5.220 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)c1 733807987 XXIOVVSFCBTKTL-UWJYYQICSA-N 431.458 5.433 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1 733843570 QRWGISPYZHFYNN-LJQANCHMSA-N 434.521 5.003 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](CC)Cc2cccc(Br)c2)c1 735248763 FKUJIMQXAYZJKD-UYAOXDASSA-N 429.358 5.015 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)Cc3csc(-c4ccc(Cl)cc4Cl)n3)[nH]c12 735791468 ZDZFRVOENVCDSH-HNNXBMFYSA-N 441.343 5.721 30 20 IKED COc1ccc(-c2nc(SCc3csc(-c4ccsc4)n3)nc(O)c2C#N)cc1 741850334 RTDWFISTHSZIPK-UHFFFAOYSA-N 438.559 5.207 30 20 IKED N#Cc1cccc(COc2ccc(NCc3nc(CCc4ccccc4)no3)cc2Cl)c1 743064440 KEBZBSAAHWXKEN-UHFFFAOYSA-N 444.922 5.571 30 20 IKED CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2ccc(C#N)o2)NC(=O)N1c1ccc(C)c(F)c1 743742338 POVVHGAWRDYOCY-HSZRJFAPSA-N 444.466 5.091 30 20 IKED C/C(=C/C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1cccc(C(F)(F)F)c1 745482324 DTGHFUCTATVUCY-UGEDRFTOSA-N 448.416 5.126 30 20 IKED COc1cc(C(=O)/C=C/c2ccc(-c3ccc(C)cc3)o2)ccc1S(=O)(=O)C(F)F 747065683 CJTJKHQJJURBQH-CSKARUKUSA-N 432.444 5.156 30 20 IKED COc1cccc(C2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)c1 748444994 YNXVDKUUVLZHTE-AREMUKBSSA-N 425.532 5.762 30 20 IKED Cc1nn(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)c1Cl 750397030 JRMPCRDHZUJORE-CYBMUJFWSA-N 439.755 5.460 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1noc(Cc2ccccc2)n1 752638166 XHCXLWQUFPROEO-JPYJTQIMSA-N 437.503 5.199 30 20 IKED CC[C@H](NC(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1)[C@@H](O)c1c(F)cccc1F 752680421 YRLUTPDADBXZEY-GOEBONIOSA-N 438.343 5.253 30 20 IKED C=CCC[C@H](NC(=O)N1CCC(c2nccc(C)n2)CC1)c1ccc(C(F)(F)F)cc1 754234931 KXYWVBKYXOQRCH-FQEVSTJZSA-N 432.490 5.400 30 20 IKED COc1ccc(C(C)(C)C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1OC 757876819 IHWDJDXMFFEXJC-CQSZACIVSA-N 442.487 5.260 30 20 IKED CC(=O)OCCc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 764698450 BCDCLILFGIEMGW-UHFFFAOYSA-N 445.494 5.037 30 20 IKED CC(C)c1nn(C)c2sc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cc12 764751900 HYCXLDFKRPBJGT-UHFFFAOYSA-N 438.340 5.086 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc([C@H]2CCCOC2)c1 766622967 LRHZBHKJLDUMIG-JTHBVZDNSA-N 440.499 5.334 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 767882963 PRRGDQSBKXXDOP-UHFFFAOYSA-N 432.524 5.535 30 20 IKED COc1cc(C#N)cc(Br)c1OC(=O)c1ccc(C2SCCS2)cc1 769720091 MKGIHWHAEBMLGU-UHFFFAOYSA-N 436.352 5.027 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)ccc1OC 772986096 NLMQGDFTLLZRAV-NQIIRXRSSA-N 425.548 5.356 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 780579905 RNYAGCWPHKUHTI-FZEVHQGJSA-N 433.533 5.070 30 20 IKED N#Cc1cc(Cl)c(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)c(Cl)c1 789881795 HOJSPFRRRSPGST-GFCCVEGCSA-N 429.134 5.181 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccsc3)N(C3CCCC3)C2=O)c1 790745281 AKXGDQZANMDJNF-IBGZPJMESA-N 427.595 5.268 30 20 IKED N#C[C@@H](C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)c1nc(-c2ccncc2)cs1 796662020 OMTPLYYDAILYOM-BBWFWOEESA-N 429.423 5.084 30 20 IKED COc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])cc1OC 796991654 GCIWQMPNUAIVGC-PKNBQFBNSA-N 449.459 5.096 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1CC(c2ccc(OC)c(F)c2)=NO1 801754732 JYLMAVOOMLSNOY-SFHVURJKSA-N 425.504 5.001 30 20 IKED CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[C@@H](C#N)c1ccc2ccccc2n1 805845715 XZEKULBHZRAKNZ-REWPJTCUSA-N 443.547 5.703 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)c1 812510057 VWYFXSQHTGMZAD-PBHICJAKSA-N 433.321 5.079 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCN(c3ccccc3F)C2)cc1 812919272 KCOYZUVWKVCTLX-AUSIDOKSSA-N 428.511 5.129 30 20 IKED N#C[C@H](C(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1cc(C(F)(F)F)ccn1 813212742 GKPWSOKOANCTHQ-LBPRGKRZSA-N 432.751 5.681 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cscc3Br)n2)cc1 815921657 NROCHNZEOJPOTL-AWEZNQCLSA-N 433.352 5.062 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)C2CCN(c3noc4ccc(Cl)cc34)CC2)s1 816068035 HXVJSJMQKRQICQ-MRXNPFEDSA-N 442.972 5.328 30 20 IKED C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)[C@H](C#N)c1nc2ccccc2s1 821619980 UMPFZHRIVXXVJX-WFASDCNBSA-N 427.323 5.144 30 20 IKED Cc1c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc([N+](=O)[O-])cc1[N+](=O)[O-] 875470596 IKVSBNGJSOEFJC-GFCCVEGCSA-N 442.497 5.148 30 20 IKED O=C(c1sc2cccc(F)c2c1Cl)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 883978469 OFYJODAIMKLJGG-OCAPTIKFSA-N 433.776 5.897 30 20 IKED COc1cc(/C=C\C(=O)c2scnc2C)ccc1OCC(=O)Nc1ccccc1Cl 915988336 UQLXRFKPLARGLT-CLFYSBASSA-N 442.924 5.027 30 20 IKED C[C@@H](Sc1ccccc1Cl)C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916846388 SGQCWONBBDETIJ-DGCLKSJQSA-N 443.981 5.286 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1Cl 916936882 BOIJCJBIXQBJDF-CQSZACIVSA-N 446.315 5.087 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)n(Cc3ccccn3)c2C)cc1 916954662 JRBSUUDSJRGGAN-XDHUDOTRSA-N 428.536 5.023 30 20 IKED CSCCCN1C(=O)/C(=C/c2cccc(OCc3cccc(C#N)c3)c2)SC1=S 917642771 QYCWOKYTGDIZTF-MOSHPQCFSA-N 440.615 5.092 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc3ccc(OCc4ccccc4)cc3[nH]2)cc1 919881045 HGPLXSORVFXUDS-UHFFFAOYSA-N 440.503 5.307 30 20 IKED CCN(CC)C(=O)COc1ccc(C(=O)/C=C\c2csc(-c3ccsc3)n2)cc1 920064752 ZEJJILNSWVPAHS-YFHOEESVSA-N 426.563 5.015 30 20 IKED CCOc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cs2)cc1 920105997 QNRSZYGJYMLFLI-GOSISDBHSA-N 429.501 5.204 30 20 IKED Cc1csc(SCc2ccc(C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cc2)n1 920106504 QKLOWGFLTWQNNV-LJQANCHMSA-N 445.569 5.739 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ncccc2Cl)cs1 920374880 MXWPMCFLLUQDBS-UHFFFAOYSA-N 439.850 5.341 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1N=Cc1ccc(O)c(O)c1O 920833096 GEXSGDYTVJOWDW-UHFFFAOYSA-N 430.382 5.134 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 921114771 YBMMVVZJCREMJH-MBSDFSHPSA-N 446.501 5.268 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3c(C)nc4sccn34)CCC2)cc1 1786103746 XFUJYCDTALZGMC-UHFFFAOYSA-N 448.592 5.220 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)cc2)CCC1 1789229776 WUIXBUVPWIHQBE-UHFFFAOYSA-N 441.453 5.511 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3c(F)cncc3F)CCC2)cc1 1789626447 PBCDWYMSFPXREJ-UHFFFAOYSA-N 427.495 5.100 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc5occ(Cl)c5c4)cc3)CCC2)CCC1 1790092136 QZGKHTIPZXWFLD-UHFFFAOYSA-N 447.922 5.528 30 20 IKED C[C@@H](C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1)n1cccc1 1790767626 DDLRIQOIXAOADY-KRWDZBQOSA-N 446.938 5.022 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccccc3NC(C)=O)cc2)CCC1 1792130671 YXRWRTIAUYKMLR-UHFFFAOYSA-N 445.563 5.161 30 20 IKED Cc1occ(C(F)(F)F)c1C(=O)NC1(c2ccc(NC(=O)C3(C#N)CCC3)cc2)CCC1 1792230524 XEJGLIJKFPRMQC-UHFFFAOYSA-N 445.441 5.048 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)/C=C\c3c[nH]c4ccccc34)C2)CC1 1806879425 SYOLIFJMUNHSLJ-DGVDTQEHSA-N 445.607 5.181 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C)cc2C)[C@H]1c1cccnc1 1811783121 GWTDTNHARFUAQP-LADGPHEKSA-N 433.596 5.010 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](F)c2ccccc2)n[nH]1 1815556604 BXJPBUYUWCHYDH-FPOVZHCZSA-N 426.536 5.105 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(F)c(F)c2C)[nH]n1 1819311290 UEOARPGFVLAMAH-UZLBHIALSA-N 442.510 5.071 30 20 IKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(Cc3ccc(F)cc3)c2)[nH]n1 1822401371 MMPZAEDODMBJRI-HSZRJFAPSA-N 446.526 5.022 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(Cl)s2)CC1 1824140064 WMVMILRRLJNUCR-NRFANRHFSA-N 449.060 5.332 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CNc2ccccc2C)CC1 1827005983 ACLKYSKCSVCTGV-XMMPIXPASA-N 439.644 5.019 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)noc2CCC)CC1 1827844548 IKQXKYXCXZVQMI-OAQYLSRUSA-N 443.632 5.161 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)cc1Cl)[n+]1cccc(O)c1 10174226 OTASMCDIBGPDSE-UHFFFAOYSA-O 446.379 5.600 30 20 IKED C[C@@H](OC(=O)c1c(Cl)ccc(Cl)c1Cl)C(=O)Nc1ccc(C#N)c(Cl)c1 15848298 FPZORMJCUSRLDW-MRVPVSSYSA-N 432.090 5.356 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccc(C)c(C)c3)o2)c1 22255130 MDKKLKARRGQRMO-IBGZPJMESA-N 434.565 5.398 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2ccccc2)s1 22730165 HXWDQJCDWVERIP-UHFFFAOYSA-O 445.589 6.187 30 20 IKED C=CCNC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)cc1 29812012 OEPAUYZTXPFBPW-IBGZPJMESA-N 428.536 5.024 30 20 IKED CCc1ccc([C@H](NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C(C)C)cc1 32927372 QTPGHTGPOQLFPE-HSZRJFAPSA-N 446.551 5.099 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 71853173 PYTNQUYTCFKABO-OAQYLSRUSA-N 430.529 5.520 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 107837605 CVTPNNFBNBRERB-UHFFFAOYSA-N 434.334 5.014 30 20 IKED COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N(CC#N)c2ccccc2)cc1 215738398 BAUUILYJFJZAAA-VZCXRCSSSA-N 445.522 5.901 30 20 IKED CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 435289960 PGDVVBFXJMLEDV-IIBYNOLFSA-N 427.545 5.014 30 20 IKED C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 439393942 RHLFEXDIANZTMB-LJQANCHMSA-N 441.535 5.093 30 20 IKED CCCc1c(NC(=O)c2c(C)nc(C(C)(C)C)nc2SC)cnn1-c1cccc(C#N)c1 440092740 QBNWNUUIZFPILZ-UHFFFAOYSA-N 448.596 5.067 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)Nc2cccc(CC(F)(F)F)c2)cc1 441055134 YMNRETFBRJFIQU-UHFFFAOYSA-N 439.393 5.033 30 20 IKED CC(C)c1nn(C)c2sc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc12 442812455 RIMIZYGUIAIZLJ-GFCCVEGCSA-N 442.516 5.650 30 20 IKED Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)COc1ccc(C#N)cc1 460339823 FVUQFKYCVGHEHE-UHFFFAOYSA-N 442.494 5.621 30 20 IKED C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC(C)=C(c2ccco2)C1 460956018 GJRRTQACUQPUJC-UHFFFAOYSA-N 436.581 5.432 30 20 IKED CSc1nc(C2CC2)nc(C)c1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 461888010 XZQUAIOFLLICJG-UHFFFAOYSA-N 430.533 5.087 30 20 IKED COc1ccc([C@H](Cc2ccccc2)NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1 462345309 GVHHQKMJINCGRZ-SANMLTNESA-N 425.532 5.225 30 20 IKED CCc1ccc(OCc2nnc(SCCC(C)(C)C#N)n2[C@H](C)c2ccccc2)cc1 463034217 MHYQQNPEZDQPHQ-LJQANCHMSA-N 434.609 6.061 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2nc3ccccc3cc2Cl)cc1 463461293 MSLGENQNTVVYPP-UHFFFAOYSA-N 427.891 5.786 30 20 IKED CSc1cccc([C@H](NC(=O)N[C@H](C)c2ccc(C#N)cc2)c2ccc(F)c(F)c2)c1 465653025 FXYUQSQVBMHSQC-CMJOXMDJSA-N 437.515 5.708 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCO[C@H](c4cccc(Cl)c4)C3)c2)cc1 466323634 YWJYDUZAJRABKN-DEOSSOPVSA-N 432.907 5.004 30 20 IKED CCn1ncc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1C(F)(F)F 466499596 NUGGMAOZVXROOQ-UHFFFAOYSA-N 434.805 5.491 30 20 IKED Cc1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1Oc1ncccc1Br 468619946 IFWOTVKONMGVHH-UHFFFAOYSA-N 448.320 5.752 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)CC(=O)Nc1ccccc1SCC#N 468838889 DOXCKTOOAJJPAW-QGZVFWFLSA-N 436.606 5.366 30 20 IKED CSc1nc(C2CC2)nc(C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 468860719 HGPKGUICHZVCMI-UHFFFAOYSA-N 448.523 5.226 30 20 IKED Cc1ccc([C@@H]2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)c(C)c1 471256633 IYNYWYXFIVITNS-HSZRJFAPSA-N 439.559 5.970 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 474207924 ULZZGELFFZEZRO-UHFFFAOYSA-N 435.474 5.115 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 476120512 KSXWCWFORSBAAU-UHFFFAOYSA-N 437.543 5.549 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)nc1 477881221 QTQFRLNCTRSCRN-KRWDZBQOSA-N 430.876 5.499 30 20 IKED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)cc1 481040838 UYGSRXOOIDXIET-JTSKRJEESA-N 439.581 5.039 30 20 IKED CCN(C[C@H](C)C#N)C(=O)c1cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2s1 485151320 UCGNHHXOLIUQQS-GFCCVEGCSA-N 435.380 5.383 30 20 IKED CSc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1[N+](=O)[O-] 487018463 YTTAMMRFQKXVPF-CQSZACIVSA-N 429.910 5.584 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc4ccccc4o3)s2)c(C(F)(F)F)c1 487390475 VPOMKPZULNDPHD-UHFFFAOYSA-N 427.407 5.623 30 20 IKED N#Cc1ccc(-c2nnc(CNc3cccc(Oc4cccc(C(F)(F)F)c4)c3)o2)cc1 488136983 IIMGNOYENKZMNY-UHFFFAOYSA-N 436.393 6.031 30 20 IKED CN1CCC(n2ccc(NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)n2)CC1 488396614 XSVLKDWKPOVWGP-OAQYLSRUSA-N 448.958 5.103 30 20 IKED CCCCOc1ccc(-c2nnc(CSc3nc(C(F)(F)F)ccc3C#N)o2)cc1 488797191 IJPQJPAFQKBWFA-UHFFFAOYSA-N 434.443 5.493 30 20 IKED COc1ccc2ccc(-c3nn(-c4ccccc4)cc3C(=O)N3CCC(C#N)CC3)cc2c1 489417111 CWTGDHRUOCXFRH-UHFFFAOYSA-N 436.515 5.077 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc4ccccc34)o2)cc1 489792610 BBXFUDCAECHBHN-MRXNPFEDSA-N 431.517 5.574 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1ccc(Br)cc1 490405658 WHIIFBJDHVBOPL-INIZCTEOSA-N 435.435 5.108 30 20 IKED C/C(=C\c1ccccc1)CN(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 494549367 QKYZTXHYFKTJEF-DYTRJAOYSA-N 425.532 5.899 30 20 IKED COc1ccc(Oc2ccc(Cl)cc2NC(=O)N(CCC#N)Cc2ccco2)cc1 495111925 MTVAFOSPHMTDPB-UHFFFAOYSA-N 425.872 5.682 30 20 IKED CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 496192225 ZSQOPBRHWAQDET-UHFFFAOYSA-N 433.895 5.260 30 20 IKED C=CCc1cc([N+](=O)[O-])ccc1OCc1csc(N(C(C)=O)c2ccccc2CC)n1 498098689 QUMPWCWTIRAFSM-UHFFFAOYSA-N 437.521 5.606 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N[C@H](c3cccc(F)c3)c3ccccn3)s2)cc1 498508628 IZDSHRRKSATWFQ-JOCHJYFZSA-N 443.507 5.051 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1c(C)nn(-c2ccccc2)c1C 500764386 CHJWATLCWYOAPD-UHFFFAOYSA-N 436.515 5.643 30 20 IKED C=CCc1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc(OC)c1OC 501443397 NCTXUYSQKNRBMN-UHFFFAOYSA-N 442.515 5.330 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)nnc1-c1ccccc1F 501595063 QUFLMXKHLNLYJW-LBPRGKRZSA-N 434.899 5.182 30 20 IKED C[C@@H](c1nc(O)c2c3c(sc2n1)C[C@H](C)CC3)N1CC=C(c2ccc(C#N)cc2)CC1 502548763 OXINAZHBGBVTPN-CVEARBPZSA-N 430.577 5.244 30 20 IKED Cc1ccc(-c2cc(C(=O)N(CCC#N)Cc3ccco3)c3cnn(C(C)C)c3n2)cc1 502576808 OVJQVXFXEBZDSL-UHFFFAOYSA-N 427.508 5.137 30 20 IKED C[C@@H](C#N)CN(C)C(=O)NC[C@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 503566527 YIWPBSFDBWFJFK-GBXCKJPGSA-N 436.559 5.768 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c2)cc1 503632892 ZSRKXOGVIJDGIJ-UHFFFAOYSA-N 448.526 5.525 30 20 IKED N#Cc1ccc(CC(=O)NCc2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)cc1 504667195 AHLBCIDMJCBBRC-UHFFFAOYSA-N 435.483 5.397 30 20 IKED CCCc1c(NC(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)cnn1-c1cccc(C#N)c1 504779367 PSHUCURIOCMRRE-DHIUTWEWSA-N 437.547 5.549 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)c1nc(-c2c(F)cccc2F)cs1 505439301 WOHBQHIXOVKVMI-LBPRGKRZSA-N 439.365 5.233 30 20 IKED Cc1nnc(SCc2c(C(=O)N[C@H](C#N)c3ccccc3F)oc3ccccc23)s1 505942209 GZSAZLYTOUHZAS-QGZVFWFLSA-N 438.509 5.019 30 20 IKED CC1(C#N)CCN(C(=O)N[C@@H](c2cccc(F)c2)c2cccc(Br)c2)CC1 508274494 CMUQOFXAAVSBDL-LJQANCHMSA-N 430.321 5.013 30 20 IKED N#CC1CCC(CNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 508364645 WLHKGQMBDZAIDF-DVQVSZOKSA-N 435.999 5.002 30 20 IKED N#Cc1c(F)cccc1-n1ccc(NC(=O)c2sc(C3CC3)nc2-c2ccccc2)n1 511718029 DHTVZWKXYZYUHO-UHFFFAOYSA-N 429.480 5.136 30 20 IKED CSc1nc(O)c(C(=O)Nc2ccc(Sc3ccccc3)c(Cl)c2)cc1C#N 512535362 FQTYIMLPAVWHFA-UHFFFAOYSA-N 427.938 5.438 30 20 IKED N#C[C@H](C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cn1 513143123 LPAOAGSQYYXIOT-INIZCTEOSA-N 426.354 5.242 30 20 IKED Cc1ccc(Nc2ccccc2C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 516502879 QOIUMRRFYMINEV-UHFFFAOYSA-N 438.531 5.101 30 20 IKED CCc1cc(C#N)c(NC(=O)CCCCCC(=O)Nc2sc(CC)cc2C#N)s1 517173909 IUVLLXDORMERKF-UHFFFAOYSA-N 428.583 5.205 30 20 IKED C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H]1c1csc(C)n1 517784609 RNZZCHVAFUEBOV-QGZVFWFLSA-N 430.375 5.000 30 20 IKED C[C@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)NC(=O)c1ccccc1 517821512 RFCHKOJCTBVOJE-VGOFRKELSA-N 431.923 5.143 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cnn(-c2cccc(Br)c2)c1 518539278 HQUDNYSXHKHZNH-UHFFFAOYSA-N 449.333 5.487 30 20 IKED CC(C)[C@@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc2c(c1)OCCO2 518684595 HHWZFKQUFYBCNO-OPAMFIHVSA-N 425.554 5.228 30 20 IKED CC(=O)Nc1ccc(N(Cc2ccc(Br)cc2)C(=O)c2ccc(C#N)cc2)cc1 518834449 FZZVGLNZOIENEF-UHFFFAOYSA-N 448.320 5.126 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3OCc3cscn3)cc2)c1 519508859 NAYGNTJWRRAJFC-UHFFFAOYSA-N 427.485 5.638 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2(c3ccccc3)CCOCC2)cc1Cl 522132551 XBYCYSNELCNCFF-QHCPKHFHSA-N 445.950 5.823 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2CCCOc3ccccc32)cc1 522472332 MOTCSEZJSIABTR-DEOSSOPVSA-N 429.495 5.323 30 20 IKED Cc1cc([N+](=O)[O-])ccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 523961208 DVAJOTYIAJJULW-OAHLLOKOSA-N 432.288 5.824 30 20 IKED COc1cc(CSCC(=O)Nc2cccc(F)c2)ccc1OCc1cccc(C#N)c1 524197436 NJASYOZVFXYZGT-UHFFFAOYSA-N 436.508 5.157 30 20 IKED C=CCCCCCN(C)C(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 525343362 RVQLUKQWEPKSFX-UHFFFAOYSA-N 436.524 5.149 30 20 IKED C=C[C@@H](CC(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C)c1ccccc1 536181792 WVUOALFPQQYZGX-IDISGSTGSA-N 447.600 5.272 30 20 IKED COc1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1NC(C)=O 536379576 SGSMAKYSAVKMJG-UHFFFAOYSA-N 435.867 5.223 30 20 IKED O=C(CN[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)Nc1ccccc1C(F)(F)F 540522400 QTUQUNNCLODVQP-OAHLLOKOSA-N 444.297 5.556 30 20 IKED CCCc1c(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cnn1-c1cc(F)c(OC)cc1F 541294584 SXVDMJARZKXQBO-UHFFFAOYSA-N 438.478 5.165 30 20 IKED Cc1nc(-c2nc(Cc3nc(-c4ccc(Cl)cc4Cl)cs3)no2)ccc1C#N 546954504 DZQDXNBPQFMKEO-UHFFFAOYSA-N 428.304 5.333 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)nc2ccccc21 553984778 NCKINCACLRSRQX-SFHVURJKSA-N 425.879 5.056 30 20 IKED COc1ccc(CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@@H](C)C2CC2)cc1 556483667 YMLYXVLTKDXLCI-SFHVURJKSA-N 430.504 5.180 30 20 IKED CC(C)OCc1c(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)oc2ccccc12 560757198 SSPUNCIIEVYUSP-UHFFFAOYSA-N 436.483 5.052 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NCc3ccccc3CN3CCCCC3)cc2)ccn1 562109191 QPKRJKOHRQOCJM-UHFFFAOYSA-N 441.535 5.053 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(O)ccc3Cl)s2)c(C(F)(F)F)c1 577028934 UZDXZJKSCOFQSZ-UHFFFAOYSA-N 437.830 5.236 30 20 IKED COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)N1CCC(C#N)(c2ccccn2)CC1 579143418 DZJHGRICMDSTEB-HXUWFJFHSA-N 440.975 5.098 30 20 IKED CC1(C(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)CCN(c2ccc(Cl)cc2C#N)CC1 587877664 ASZRXLYEDOVOBN-YJBOKZPZSA-N 441.925 5.303 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nc(C)c(SCC#N)s2)o1 603775095 VQUMNIFNAKPPCP-UHFFFAOYSA-N 435.534 5.074 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1sc2c(c1C#N)CCC2 603946493 LTSYVYXTXVKPMI-UHFFFAOYSA-N 425.510 5.122 30 20 IKED CC(C)CN1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 604089467 AWQUMNHRWNVXAA-UHFFFAOYSA-N 426.948 5.246 30 20 IKED CN(Cc1ccccc1F)C(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 608763844 WXWCIOIAQDPYCH-UHFFFAOYSA-N 445.338 5.321 30 20 IKED CCc1nc(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cs1 608841729 UMPWIXHFJYYHBE-UHFFFAOYSA-N 426.929 5.387 30 20 IKED CCc1c(C)sc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c1C#N 609032758 BTNKRECIEWPYBA-UHFFFAOYSA-N 431.561 5.135 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(F)ccc1Br 609061048 IHRFXXXDBXETOU-UHFFFAOYSA-N 439.284 5.600 30 20 IKED CC(C)c1nccn1Cc1cccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 609206090 CLLXTYDDSFTVKK-UHFFFAOYSA-N 443.551 5.002 30 20 IKED CCCCCn1nc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccc2c1=O 609428532 NXSJZALWOQKANI-QGZVFWFLSA-N 434.565 5.233 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 609460720 ABCCBUYGFHFVLU-LBPRGKRZSA-N 441.887 5.847 30 20 IKED N#C[C@@H](NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccc(Cl)c(Cl)c1 609989693 WNJMDVIOFWAPGF-QGZVFWFLSA-N 439.224 5.193 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(Br)cc2Cl)c1C 610053778 OAQWJMJRKRAWHT-UHFFFAOYSA-N 429.705 5.029 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1nc(C(F)(F)F)cs1 610141461 WXOURGLFRDWZQN-UHFFFAOYSA-N 432.427 5.456 30 20 IKED COc1ccc([C@H](NC(=O)NCc2ccc(C#N)cc2F)c2ccccc2Cl)c(C)c1 610402567 RKFUROQPHPAWDN-QHCPKHFHSA-N 437.902 5.257 30 20 IKED CC1(c2cccc(Br)c2)CCN(C(=O)c2cc3ccccc3n2CC#N)CC1 611259271 JAQQDUSNBSKFQU-UHFFFAOYSA-N 436.353 5.121 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)CCC(=O)c3ccc4c(c3)CCC4)c2)cc1 614182903 NNVJQIKARJKRSP-UHFFFAOYSA-N 438.527 5.422 30 20 IKED CCN(C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H](C)c1ccc(F)cc1 616090190 OLWYUXDGZDBZED-YYWXWVFPSA-N 428.392 5.828 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1F 674305265 MNADNEJEKHENMB-YUMQZZPRSA-N 425.266 5.484 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnn1C1CCCCC1 679729140 DEYDWTFMJHKOGR-OAHLLOKOSA-N 432.471 5.815 30 20 IKED O=C(c1cc2ccccc2n1CC(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 683734622 ISJIEUFILTXCAY-RYUDHWBXSA-N 446.313 5.407 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 726755563 CGGZEGSZPTXQOU-UHFFFAOYSA-N 438.965 5.203 30 20 IKED COC1CCN(c2ccc(NC(=O)c3ccccc3SCC#N)cc2C(F)(F)F)CC1 728038397 HJHIJNQNNDHKTP-UHFFFAOYSA-N 449.498 5.189 30 20 IKED Cc1cc(-n2c(C)cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)c2C)no1 728193198 MZJJEFNLEWAEQO-UHFFFAOYSA-N 444.466 5.233 30 20 IKED C[C@H](C#N)Oc1ccc(/C=C(\Cl)c2nc(O)c3cc(-c4ccccc4)sc3n2)cc1 728699215 CTIJDDQDFKBSCI-AXLWCPOOSA-N 433.920 6.092 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CCC2)c(C)c1 730458492 AEMJGXCDCUBLQH-FQEVSTJZSA-N 443.519 5.094 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)cc1OC 730499846 ISQMIUBAIYUUSD-OCKXMSAZSA-N 432.520 5.207 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 730921216 WBAYTFNPYWTLOF-VAMGGRTRSA-N 432.907 5.261 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 731054149 BQINLDYIWNHMNQ-VWLOTQADSA-N 448.469 5.215 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(Cl)sc1Cl 731066694 FLZVFMDQVJICCN-SNVBAGLBSA-N 429.350 5.245 30 20 IKED CCCOc1nc2ccccc2cc1/C=C\C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12 731768644 PCKPKCFETKHXHG-HVMBHNBBSA-N 449.510 5.538 30 20 IKED CC[C@H](C#N)Oc1cc(CNc2ncnc3sc(-c4ccccc4)cc23)ccc1OC 733303286 LKCFQQSGQWRAFV-GOSISDBHSA-N 430.533 5.660 30 20 IKED COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)OCc5ccc(OCC#N)cc5)(C4)C2)C3)cc1 733403595 SRHZPABLFNBMHW-CUFNRJLSSA-N 431.532 5.179 30 20 IKED C=CCc1cc(C(=O)Nc2cc(-c3ccccc3Br)no2)cc(OC)c1OC 734358099 BWFBCOOCEWGIHM-UHFFFAOYSA-N 443.297 5.102 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)c1 734947119 NVJVNFXHQOZRBN-FPOVZHCZSA-N 429.973 5.021 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cccc(Oc2nccs2)c1 737316680 LXTGDMVMZIWHSO-MRXNPFEDSA-N 445.472 5.211 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccc(OCc4cccnc4)cc3)c2)s1 740450722 XKQPBLHLMMLFLP-UHFFFAOYSA-N 440.528 5.582 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)cc1 741178486 HRCLQKSBZWDCQG-BHDDXSALSA-N 436.433 5.983 30 20 IKED CC(C)c1ccc(-c2nc(CC(=O)OCc3nnc(-c4cccc(C#N)c4)o3)cs2)cc1 741825516 LTFSHQRWYPATNH-UHFFFAOYSA-N 444.516 5.141 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=S)Nc1ccccc1C#N 741862706 NNLYDWCTIQMONE-UHFFFAOYSA-N 443.551 6.412 30 20 IKED CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 742961682 MPUWYSCJQUYNQH-HKUYNNGSSA-N 439.487 5.122 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=S)NCc1ccc(OC(F)(F)F)cc1 742990654 KRRFGCMELAGOCA-UHFFFAOYSA-N 441.478 5.538 30 20 IKED C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3ccc(Oc4cnccn4)cc3)c12 743057179 QVUNQYKLOHGCGL-RAXLEYEMSA-N 435.487 5.262 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)n2)cc1 744061743 NVOIAWSLOJHUAB-GBESFXJTSA-N 443.355 6.105 30 20 IKED CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 744765431 BVQCPHSKPYSDQY-VWLOTQADSA-N 430.527 5.077 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](CC(C)C)c2ccc(Cl)cc2)ccc1OC 745819022 IDQJEKNZDSAHKC-LEWJYISDSA-N 443.975 5.616 30 20 IKED N#Cc1ccc(C(=O)CSC2=N/C(=C\c3ccccc3)C(=O)N2c2ccc(F)cc2)cc1 748752691 HRZCGZSUNIYCSB-HMAPJEAMSA-N 441.487 5.057 30 20 IKED CCCOc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)cs2)cc1 750393148 YKNVFONCYFQMMU-INIZCTEOSA-N 439.924 5.213 30 20 IKED N#Cc1ccccc1N1CCN(C(=O)Nc2ccccc2SCc2ccccc2)CC1 750685450 UWTZFULCSBGYOO-UHFFFAOYSA-N 428.561 5.205 30 20 IKED COCCc1nc2cc(NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)ccc2o1 753540188 KBGXLRGVFQPLRZ-OAQYLSRUSA-N 426.476 5.316 30 20 IKED C=C(C)[C@H](CC(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1)OCC 756471583 JLRITWYXCSZLFH-FQEVSTJZSA-N 430.570 5.167 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](C)c2cccc(N3CCOC3=O)c2)cc1 756920846 IPYXOPNBAMVPBM-GOSISDBHSA-N 441.487 5.107 30 20 IKED CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)[C@H](C#N)c1nc2ccccc2o1)OCC3 759240653 USCJRXOXZVCDNJ-AFMDSPMNSA-N 427.504 5.316 30 20 IKED O=C(OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1ccc(-c2cncnc2)cc1F 764901862 DYQXTYAMMRKQNM-UHFFFAOYSA-N 448.269 5.215 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C 765665629 KZJDUKLVLDQHQT-LJQANCHMSA-N 445.466 5.146 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)OCc1nnc(-c2ccccc2Cl)o1 767364140 WJKGWGSZSGJMQM-UHFFFAOYSA-N 447.903 5.770 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)cc1 767588566 UFXNJYBZMZVPQC-RPWUZVMVSA-N 431.923 5.601 30 20 IKED C=CCn1c(SCc2cc(=O)oc3cc(C)c(C(C)C)cc23)nnc1-c1ccccn1 768418761 RHDBQGOOYMRRGW-UHFFFAOYSA-N 432.549 5.357 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCCC[C@@H]2c2cccc(Cl)c2)ccc1OC 770613203 WBCQYBAYPXDBEX-NHCUHLMSSA-N 441.959 5.466 30 20 IKED O=C(/C=C/c1cn(Cc2cccnc2)nn1)c1ccc(Oc2ccc(F)cc2)cc1Cl 774138734 PAIMWFUDCDVUPX-BJMVGYQFSA-N 434.858 5.202 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 780159213 HZGPXKPDTIMWAF-ZDUSSCGKSA-N 432.423 5.857 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C\c2scnc2C2CC2)C(=O)c2ccccc2)c(Cl)c1 782313168 NPVMLCMANBWBJS-PDGQHHTCSA-N 436.964 6.196 30 20 IKED Cc1cc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c(C)n1[C@H](C)c1ccccc1 783865198 AXBACSGIHLPLQD-NNAHLOSHSA-N 442.563 5.101 30 20 IKED CC[C@@H](NC(=O)[C@H](C#N)C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1ccccc1 787032654 RICROHYORZSOQC-HZPDHXFCSA-N 443.981 5.044 30 20 IKED COCC[C@H](Cc1cccc(Br)c1)C(=O)[C@@H](C#N)c1nccc2ccccc12 792093978 BTUWMZUQTIFESL-NQIIRXRSSA-N 437.337 5.069 30 20 IKED CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N 792399969 UBZPSFCRUHSYLX-KSFYIVLOSA-N 441.959 5.205 30 20 IKED O=C(/C=C\Sc1cc(F)ccc1F)NC1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 797827067 TVWZZHOVJLFUSR-CUTFZCDZSA-N 433.364 5.596 30 20 IKED Cc1cc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)c(C)n1-c1cccc(C(C)C)c1 800582266 VCTXQAZIOGEOLR-UHFFFAOYSA-N 426.564 5.310 30 20 IKED C[C@@H](C#N)OCCNc1ccc([C@H]2CC[C@H](N(C)C(=O)c3ccc(Cl)cc3)CC2)cc1 802745190 YFKJHRSNDGKKQQ-WXVUKLJWSA-N 439.987 5.479 30 20 IKED C#CCN(Cc1ccccc1)C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 804835310 KQSPRUFUYCWCSS-UHFFFAOYSA-N 428.319 5.028 30 20 IKED CCO[C@@H](C)c1nc(COC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cs1 805595658 AHTUVYJWVSHDLN-HNNXBMFYSA-N 447.988 5.116 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC([C@H](F)c3ccccc3F)CC2)cc1 806200506 FUSJJVOCJBVWRP-RSXGOPAZSA-N 445.513 6.436 30 20 IKED C[C@@H](OC(=O)CC(c1ccccc1)c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 825027210 VUZHSYPMLJTGKT-QGZVFWFLSA-N 444.556 5.201 30 20 IKED C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2cccnc2Oc2ccccc2)no1 904455600 GMXBMLKRWPDUJP-KRWDZBQOSA-N 442.903 5.632 30 20 IKED CN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccccc2Cl)n(C2CCCC2)c1=S 914783307 SQWMONYMKWJWOQ-UHFFFAOYSA-N 438.000 5.811 30 20 IKED CN(C)[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1Cl 915353423 SZBPPLOUHSUMST-VWNXMTODSA-N 432.955 5.420 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c1 916896786 DBWPMVZTVQROTC-KRWDZBQOSA-N 442.302 5.237 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1 916946980 CEUZEESGSTVNJR-KSFYIVLOSA-N 428.488 5.624 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(OCc3cccs3)c2)cc1 916949483 OQJNIAJKDQSTKH-HXOBKFHXSA-N 432.545 5.802 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3c(C)nn(-c4ccc(F)cc4)c3C)n2)cc1 916974961 SPZKWYPYGNFMCQ-QFIPXVFZSA-N 444.535 5.479 30 20 IKED N#C[C@@H](C(=O)CCCCc1nc2ccccc2s1)c1nc2cc(Cl)ccc2s1 917042448 BDSYSNCZFKCOTD-AWEZNQCLSA-N 425.966 6.149 30 20 IKED COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1OC 917562190 VBOIJWCTRGIGQP-JXMROGBWSA-N 442.924 5.394 30 20 IKED CCOc1ccccc1-c1nnc(S)n1N=Cc1cccc(OCc2ccccc2F)c1 920368424 LCRKFUVWJJZHRO-UHFFFAOYSA-N 448.523 5.233 30 20 IKED COc1cc(C=NOCc2nnc(-c3ccc(Cl)cc3Cl)o2)ccc1OC(F)F 920399506 UAQUDNVASVXTSC-UHFFFAOYSA-N 444.221 5.204 30 20 IKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(Oc2cccnc2)cc1 920792323 OHIRZOSWLRQSHO-IBGZPJMESA-N 426.259 5.142 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)cc2)CCC1 1786179969 FIPFQTYWYQZHPH-NHCUHLMSSA-N 436.502 5.006 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3nc4ccccn4c3C)CCC2)cc1 1789453613 CHABFWQXFMVMJS-JOCHJYFZSA-N 442.563 5.159 30 20 IKED Cc1ccc(S/C=C/C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)S)CCC3)cc2)cc1 1789489037 HIHQUEATLQVDCM-OKACTXMXSA-N 426.607 5.053 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](c3ccccc3)C(C)C)CCC2)cc1 1790564303 WYJIYFNKMOPTCZ-HYBUGGRVSA-N 449.595 5.361 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3sccn3c2)n[nH]1 1817818158 ILEUBYDICQWKNT-GOSISDBHSA-N 439.585 5.022 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3scnc3c2)n[nH]1 1819148944 FGFFMZIAAHSNRY-FXAWDEMLSA-N 449.580 5.094 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(C)cc2)n[nH]1 1822053888 GATWXUULWPMZSD-FYYLOGMGSA-N 434.584 5.111 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3occc3c2)CC1 1824142132 GFYJSRRYSWMLJS-XMMPIXPASA-N 434.580 5.435 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(F)c2F)CC1 1829068844 UHBOOMOBXAXACI-OAQYLSRUSA-N 432.555 5.191 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)CC1 1830189692 GIMYDVJRVAMCIX-RUZDIDTESA-N 449.639 5.323 30 20 IKED CN(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cccc(Cl)c2)cc1 10830471 NZTBXABZFSLJAN-UHFFFAOYSA-O 446.930 5.023 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccccc2Br)[n+]2ccccc2)c(C)c1 20834559 OFVVFJBOHXWCDQ-UHFFFAOYSA-O 440.386 5.404 30 20 IKED N#CCc1ccccc1C(=O)OCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 22558393 UWWXMYOJRIJXJX-UHFFFAOYSA-N 432.090 5.162 30 20 IKED C[C@H](OC(=O)Cc1coc2ccc3ccccc3c12)C(=O)Nc1sc2c(c1C#N)CCC2 23977879 FKKZDWGKBAWMDF-AWEZNQCLSA-N 444.512 5.121 30 20 IKED Cc1nc(-c2ccccc2)c(/C(O)=N/c2nc(-c3ccccc3Br)n[nH]2)s1 28907282 HYAGFKKAPCNIOF-UHFFFAOYSA-N 440.326 5.302 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)nc2sccc2c1=O 36800032 OOKRUJPBCZLURF-JTQLQIEISA-N 440.377 5.070 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 58433124 FHGBJVZLFBFICU-UHFFFAOYSA-N 440.503 5.211 30 20 IKED COc1ccc(CN[C@@H](c2ccc(Cl)cc2)c2cccs2)cc1OCCCC#N 64614455 MKTCVSKUEBAXPL-QHCPKHFHSA-N 426.969 5.972 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1Cl 65447514 OLORFZZITPXKFZ-OAQYLSRUSA-N 434.883 5.268 30 20 IKED O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(Cl)c([N+](=O)[O-])c1 96766383 ACIAWZFLGKHZSD-LUAWRHEFSA-N 430.851 5.392 30 20 IKED Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 108370612 NSDZJFSBYLLMOA-UHFFFAOYSA-N 437.499 5.476 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 303716854 VJQSUYBYROEQNW-UHFFFAOYSA-N 442.359 5.094 30 20 IKED N#CC1(c2ccccc2)CCC(Nc2cccc(NS(=O)(=O)Cc3ccccc3)c2)CC1 426330219 JSSFHIABAAXRSD-UHFFFAOYSA-N 445.588 5.445 30 20 IKED N#CCCC[C@@H](Nc1ncnc2cccc(I)c12)c1ccccc1 431490637 MEWUXWXCAJEUQU-MRXNPFEDSA-N 428.277 5.081 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)NCC1(CC#N)CC1 431962736 HAQDXZBVLXMFJY-UHFFFAOYSA-N 430.430 5.082 30 20 IKED COc1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1OCc1ccncc1 432701872 CSUBRICLRBFICN-JOCHJYFZSA-N 430.508 5.226 30 20 IKED C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 434364692 PSYRTYFYVLUSSB-INIZCTEOSA-N 444.362 5.166 30 20 IKED COc1ccccc1-c1ccc(CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C(C)C)cc1 437901934 NITAYYWTXBHZPM-UHFFFAOYSA-N 441.575 6.606 30 20 IKED CN1CCC[C@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)[C@@H]1c1cccs1 438058518 MACGPGDVLLYGSY-NTKDMRAZSA-N 446.576 5.617 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(OC3CCCCC3)CC2)cc1F 438666968 JSZMVANGMOXEKM-UHFFFAOYSA-N 437.515 5.835 30 20 IKED CC(C)Oc1ccc(NC(=O)C(=O)Nc2cccc(CO[C@@H]3CCC[C@H](C)C3)c2)cc1C#N 438721705 LERBMUSJZVPKLE-FDDCHVKYSA-N 449.551 5.018 30 20 IKED Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 439109503 REHIBDYBOZCMSM-UHFFFAOYSA-N 439.830 5.399 30 20 IKED CCc1nnc(-c2cccc(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)c2)o1 440598599 NQRRWPIGCWZWRO-UHFFFAOYSA-N 444.878 5.869 30 20 IKED N#CC1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc3ccccc3c2)CC1 441151804 VQFNPZBJTBCIKB-JRKDSTCJSA-N 443.591 5.059 30 20 IKED C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 441569712 SIVHJJDZOATUPN-KUHUBIRLSA-N 445.441 5.003 30 20 IKED C=CCn1c(SCc2cc(C)nc(-c3ccc(Cl)cc3)n2)nnc1-c1ccoc1C 443523651 SPQCKWXJZIOTFD-UHFFFAOYSA-N 437.956 5.744 30 20 IKED C[C@@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1cccs1 461487867 GVZPLMZMDKSMAL-ZDUSSCGKSA-N 436.368 5.012 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2Cn2cccn2)cc1Cl 462114105 UVMCFIBVGIITKM-HSZRJFAPSA-N 426.907 5.493 30 20 IKED CCN(C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C1)CC(F)(F)F 464745288 VINHEDDDRTVIFJ-LJQANCHMSA-N 445.485 5.005 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(-c3cccnc3)cc2)cc1 466956433 YDWBHALRAGPQIP-UHFFFAOYSA-N 448.526 5.715 30 20 IKED Cc1oc2ccccc2c1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 467168802 JXRZHLFJAZACOF-UHFFFAOYSA-N 425.488 5.708 30 20 IKED CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc(C(F)(F)F)cs1 467620021 SYMWJOIFYGVSGS-KRWDZBQOSA-N 446.454 6.099 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 470198830 VCIXSTOQUCNITJ-NRFANRHFSA-N 432.490 5.119 30 20 IKED C[C@@H](CCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1 470504191 VBHINHBQNPIJTG-KRWDZBQOSA-N 445.485 5.324 30 20 IKED C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470547517 RXQIPSXQKWACMQ-CJAUYULYSA-N 430.552 5.105 30 20 IKED N#Cc1ccc(-c2nnc(CN3CCCCC[C@H]3c3ccc(C(F)(F)F)cc3)o2)cc1 471007182 PPSUBKGMQFHWRB-FQEVSTJZSA-N 426.442 5.744 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1 472818923 ODECHQSHHGDWNV-PKOBYXMFSA-N 430.529 5.145 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(Br)c(Cl)c2)c1C 477240521 QJVRLYUWLIZVLD-UHFFFAOYSA-N 429.705 5.029 30 20 IKED COc1ccc(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1F 480126938 UGUAZLOLAGAZOC-FQEVSTJZSA-N 437.902 5.507 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCc1coc(-c2cccc(Cl)c2)n1 481367337 YGRSWAOQOXRSAT-UHFFFAOYSA-N 438.940 5.644 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2CC)nnc1-c1cccc(Cl)c1 481367480 IGTYNKQLMCKFCV-HNNXBMFYSA-N 426.973 5.466 30 20 IKED C=C(C)[C@H](NCC1(CN[C@H](C(=C)C)c2ccc(F)c(F)c2)COC1)c1ccc(F)c(F)c1 481605813 IIEVQNBJSDBZHD-PSWAGMNNSA-N 448.504 5.373 30 20 IKED C=C(C)Cn1c(SCC(=O)N2CCCC[C@H]2c2ccc(F)cc2)nnc1-c1ccco1 482312815 HXQGKTCRQWAYHT-IBGZPJMESA-N 440.544 5.099 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc(C(F)(F)F)cs1 486643263 VSQGQGKABCLFFS-CYBMUJFWSA-N 431.439 5.511 30 20 IKED CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)Sc1nc(C(F)(F)F)ccc1C#N 488737820 SMQWSBLFQCOZFH-LLVKDONJSA-N 433.411 5.040 30 20 IKED CCOc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1Br 490503980 XKLKVBHDBOUUID-UHFFFAOYSA-N 438.281 5.159 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(OCC(F)F)n2)cc1 497892416 INOMIOYFKLHGBZ-UHFFFAOYSA-N 425.460 5.142 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(COCc3ccco3)c2)c1 498598212 KHTPGNMRPHXLLM-UHFFFAOYSA-N 438.483 5.699 30 20 IKED CC(C)N1CC[C@@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H]1c1ccc(F)c(F)c1 498670532 YFPDVLYBEZTEOP-FGZHOGPDSA-N 426.511 5.111 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2cc3ccccc3nc2O)cc1Cl 502212515 KBBSOZJCHZYSKO-QFIPXVFZSA-N 441.918 5.821 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)C3CCN(c4nc5ccccc5s4)CC3)n2)c1 502399727 HMHBVOIWMVJDBR-UHFFFAOYSA-N 445.573 5.147 30 20 IKED Cc1sc2ncnc(SCC(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)c2c1C 505514648 SBSORRKZZVCZBA-CYBMUJFWSA-N 437.377 5.088 30 20 IKED COc1ccc(-c2nc(CC(=O)N[C@@H](C#N)c3ccc(C(C)(C)C)cc3)cs2)cc1OC 505831501 IGVATLXUXYCMQE-FQEVSTJZSA-N 449.576 5.048 30 20 IKED CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nc3c(c(-c4ccco4)c2C#N)CCC3)c1C 506072800 UVJQNFGULDJLGA-OAHLLOKOSA-N 433.533 5.213 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@@H](COc4ccccc4)C3)c2)cc1 506361039 BMXBMGAAWCWEED-HSZRJFAPSA-N 441.531 5.264 30 20 IKED C=CCN(C(=O)c1cc(NC(=O)N(C)C)ccc1Cl)c1nc(-c2ccccc2)cs1 507058198 XTPRQSJRBFSUCJ-UHFFFAOYSA-N 440.956 5.390 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1Cl 510023075 JFUXOROFSHRTLU-LADGPHEKSA-N 433.914 6.504 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCCCC[C@@H]2C)c1 510447025 VADBQDWFYWADOW-SFHVURJKSA-N 447.000 5.126 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccccc1)C[C@H]1CCCO1 510873703 WVZHECZIRMTYPF-RUZDIDTESA-N 441.531 5.872 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)nc2ccccc21 513664863 AHNNIARNBFVCGV-KRWDZBQOSA-N 441.878 5.162 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 515371276 JNEIFMIABYMJOJ-UHFFFAOYSA-N 437.540 5.340 30 20 IKED Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)oc2c(Cl)cccc12 515653508 XEORWUZSZAJMHO-UHFFFAOYSA-N 430.891 6.292 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 516838128 SXXWVWCNMLCOLQ-KRWDZBQOSA-N 430.464 5.315 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N(Cc3ccccc3)CC3CCOCC3)c2)cc1 518899903 JSKOCESPZSRQQY-UHFFFAOYSA-N 426.516 5.420 30 20 IKED COc1cc(Br)c(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1OC 521839903 NTAKTSAZMJZXQJ-UHFFFAOYSA-N 446.345 5.028 30 20 IKED C=CCn1c(SCC(=O)Nc2ccsc2)nnc1-c1ccc(Cl)cc1Cl 522917840 GHIAHDUKHQTDDI-UHFFFAOYSA-N 425.366 5.230 30 20 IKED COc1c(Br)cc(Cl)cc1NC(=O)Nc1cccc(OCCCC#N)c1 524311726 MCAGYIVDQMDJGA-UHFFFAOYSA-N 438.709 5.438 30 20 IKED CC(=O)c1ccc(OCCCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 524459461 FQBURHNZXHSGQE-UHFFFAOYSA-N 446.478 5.277 30 20 IKED CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)Nc2ccccc2SCCC#N)cc1 524563496 RSBYKLHWTSAXQA-INIZCTEOSA-N 427.595 5.009 30 20 IKED N#CC1(c2ccccc2)CCC(Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)CC1 536100261 UFBVSLXILWMDBY-IWDREJCQSA-N 428.601 5.952 30 20 IKED O=C1CCc2cc(F)c(NC(=O)N[C@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)cc2N1 539446060 ILULURDAEVIYIJ-MRXNPFEDSA-N 449.326 5.154 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3coc(-c4ccccc4Cl)n3)n2)cc1 540683951 IIDSIPSXJZXDKH-MRXNPFEDSA-N 435.892 5.617 30 20 IKED C[C@H](NC(=O)N[C@@H](C)c1noc(-c2ccccc2)n1)c1ccc(-c2cccc(C#N)c2)cc1 541144248 AFBBQIPIXCVTQP-ROUUACIJSA-N 437.503 5.397 30 20 IKED N#Cc1cc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)ccc1Cl 544628082 VSWREKKVBARXHV-UHFFFAOYSA-N 430.895 5.054 30 20 IKED C=C(C)Cn1c(SCc2nc(-c3ccccc3OC(F)F)no2)nnc1-c1ccco1 547031301 KWBPALNFVCWLCK-UHFFFAOYSA-N 445.451 5.058 30 20 IKED CN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C1c2ccccc2-c2ccccc21 552257544 KXUQJVDZTZROOW-UHFFFAOYSA-N 425.507 5.142 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 554440334 LINTXOUOVFKTQX-MRXNPFEDSA-N 438.528 5.024 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2c(O)cc(Br)cc2Cl)o1 560503830 RWBPEQSLXBHGKH-UHFFFAOYSA-N 447.672 5.104 30 20 IKED CCN(C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccc(C#N)c(Cl)c1 561043598 OXUDCSFHVLZCQE-UHFFFAOYSA-N 427.895 5.126 30 20 IKED Cc1cc(OCc2ccccc2)ccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 561785772 CQGOSWSKVSCLEK-UHFFFAOYSA-N 441.531 5.521 30 20 IKED CC1(C(=O)N2CC[C@@](F)(c3ccccc3F)C2)CCN(c2ccc(Cl)cc2C#N)CC1 562868663 MJSNCBOIFOLEPL-DEOSSOPVSA-N 443.925 5.055 30 20 IKED C=CCC[C@H](NS(=O)(=O)Cc1cc(C(C)(C)C)on1)c1ccc(C(F)(F)F)cc1 566929704 NUSURYPBGCSWSW-KRWDZBQOSA-N 430.492 5.118 30 20 IKED N#CC[C@H](Cc1nc(-c2ccc(Br)cc2OC(F)F)no1)c1ccccc1 569389905 ITUKGUKEXLZIII-CYBMUJFWSA-N 434.240 5.340 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)Nc3ccc(F)cc3OCC(F)F)cc2)ccn1 569396694 JODRHQDMHKHLDE-UHFFFAOYSA-N 428.370 5.173 30 20 IKED COc1cc(CNC(=O)Nc2cc(C(F)(F)F)ccc2F)ccc1OCC(F)(F)F 590328284 UYSKZVDUEZXAAU-UHFFFAOYSA-N 440.315 5.116 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3ncc(-c4ccccc4Cl)o3)cn2)cc1 603765085 PEUPIWVDRARAQI-UHFFFAOYSA-N 444.878 5.625 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)CCCc1nc(-c2ccc(F)cc2)no1 603968958 OXWASYYWSGNPQD-UHFFFAOYSA-N 432.480 5.437 30 20 IKED CC1(C)CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)[C@@H]1c1ccccc1 604362523 YOMSCSHXOOAYKP-RUZDIDTESA-N 425.532 5.947 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCCn2cnc3ccccc32)cc1 608777882 BTOLRYDRFAISOI-UHFFFAOYSA-N 426.476 5.128 30 20 IKED C/C=C\c1ccc(OCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(OC)c1 609064373 RVNBNYONQBTUFP-HYXAFXHYSA-N 428.488 5.196 30 20 IKED C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 609105336 XPOHKIAKODSHJI-KSFYIVLOSA-N 443.478 5.123 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NC[C@H]3CCN(c4ccc(F)cc4)C3)c2)cc1 609208748 IZSPBIFWZLUJOA-LJQANCHMSA-N 430.483 5.138 30 20 IKED COc1ccccc1N1CCC(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 609433688 CDBNEMLAPHYUIA-UHFFFAOYSA-N 442.519 5.150 30 20 IKED C[C@H]1CCC[C@H](OCC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)C1 609576129 SLWQEDXUEIWWIC-BBRMVZONSA-N 437.487 5.158 30 20 IKED Cc1ccc(OC2CCN(C(=O)c3cccc(COc4ccc(C#N)cc4)c3)CC2)cc1 609730088 ONMOAWWWBHMLGI-UHFFFAOYSA-N 426.516 5.129 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3csc(Cc4ccccc4F)n3)cn2)c1 609783733 HOKYXIFEXUVUJK-UHFFFAOYSA-N 430.464 5.184 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](Cn1cccn1)c1ccccc1 610163145 MVORQHLNUCPGAD-RUZDIDTESA-N 437.503 5.419 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)N[C@@H](C)c2cccc(C#N)c2)nc1-c1ccccc1 610500029 KKVAFSUSEIWWTJ-PGRDOPGGSA-N 428.536 5.944 30 20 IKED N#Cc1ccccc1/C=C\c1nc(-c2ccccc2-c2ccc(CN3CCCC3=O)cc2)no1 612882757 DUIVPNSSBKKPIN-NXVVXOECSA-N 446.510 5.568 30 20 IKED CCCc1c(NC(=O)N2CCCC[C@H]2c2ccccc2OC)cnn1-c1cccc(C#N)c1 615268821 UGLPIXYOCWTGIW-QHCPKHFHSA-N 443.551 5.464 30 20 IKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Nc2cc(-c3ccccc3)ccc2Cl)CC1 619345462 JWTXLPOILDJTTK-UHFFFAOYSA-N 447.926 5.098 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2ccccc2F)nnc1-c1ccc(Cl)cc1 642037527 OTSPMBSTVKKQEE-HNNXBMFYSA-N 444.963 5.235 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(NC(=O)c4ccco4)cc3C)n2)cc1 642281318 ZBLMSQIWHHSSDC-MRXNPFEDSA-N 447.541 5.824 30 20 IKED CC(=O)Nc1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cs1 642281827 SIKMUZHSODNWFR-LLVKDONJSA-N 437.333 5.022 30 20 IKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc(C3CC3)nc21 642281934 ZOHBCEBGPBJYLK-SFHVURJKSA-N 427.533 5.503 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1NC(=O)c1ccccc1 642282398 OERSNLSXAPYLLS-GOSISDBHSA-N 444.441 5.482 30 20 IKED C=CCn1c(Sc2nc(C(F)F)nc3ccc(F)cc23)nnc1-c1ccccc1OC 647851693 KOHVUSSQERIEHE-UHFFFAOYSA-N 443.454 5.311 30 20 IKED C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC[C@](C)(OC)CC1 685554056 ZYHFQFNCTJUDJF-SANMLTNESA-N 432.568 5.106 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](OC3CCCC3)c3ccccc3)n2)cc1 727050042 NSKSPMCKNRCECR-QPPBQGQZSA-N 432.545 5.695 30 20 IKED CC1CCC(N(Cc2ccc3c(c2)OCO3)C(=S)Nc2ccc(C#N)c(Cl)c2)CC1 728176942 TWDNIOUZQSHUNR-UHFFFAOYSA-N 441.984 5.718 30 20 IKED N#Cc1cccc(COc2ccc(NS(=O)(=O)C3=Cc4ccccc4CC3)cc2F)c1 728186062 VYIHEAAGJBMKIG-UHFFFAOYSA-N 434.492 5.005 30 20 IKED COc1ccccc1/C=C(\C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1ccccc1 730420365 CMRROULLPVUZJW-QRRJMBGHSA-N 428.488 5.861 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cc1C 731007218 ITOJELYNOWXHGC-UHFFFAOYSA-N 447.970 5.587 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1cccc(Cl)c1SC(F)F)c1ccccc1 731625798 ROKJVZIYTGKNOC-UHFFFAOYSA-N 437.899 5.320 30 20 IKED CC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)[C@H](C#N)c2ccc3ccccc3n2)CC1 733680366 NICLSBMPSMBZTO-HXUWFJFHSA-N 444.535 5.098 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CCCc3ccc(Cl)cc3C2=O)cs1 735231956 FMOVRTUVYKTUTF-LFIBNONCSA-N 440.927 6.223 30 20 IKED Cc1nc(NN=Cc2sc(N3CCCC3)nc2Cl)c2c3c(sc2n1)CCCC3 735970804 ORUJMFBIMSJELE-UHFFFAOYSA-N 433.006 5.035 30 20 IKED CC(=O)Nc1ccc(/C=C2/CC[C@H](C3CC3)/C(=C\c3ccc(NC(C)=O)cc3)C2=O)cc1 740666272 PDJGAMVUIDPEHA-DOUWQDROSA-N 428.532 5.460 30 20 IKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(N4CCOC4=O)ccc3F)c2C#N)C1 741522239 VPDYLMYITFLRJL-CYBMUJFWSA-N 441.528 5.119 30 20 IKED O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)c1ccc(S(=O)(=O)CC(F)F)cc1 741852692 RGPVVSNCKZIEHM-YRNVUSSQSA-N 436.476 5.489 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=S)N[C@@H]1CCc2ccccc2C1 743000346 YBXATUYPLFCLTM-QGZVFWFLSA-N 435.540 5.555 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)n2)cc1 744061735 NVOIAWSLOJHUAB-CEXWTWQISA-N 443.355 6.105 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3ccc(Oc4ccc(F)cc4F)cc3)o2)c1 745004117 GIKABPNFOHXDRB-UHFFFAOYSA-N 433.370 5.036 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1cc(Cl)sc1Cl)C(=O)Nc1ccc(F)c(Cl)c1 756231747 NNACUTRRZNZLAE-JTQLQIEISA-N 447.702 5.158 30 20 IKED N#CCc1ccccc1Cc1nc(-c2ccccc2-c2ccc(Cn3cccn3)cc2)no1 761532483 DVLWGIQSSRBESH-UHFFFAOYSA-N 431.499 5.305 30 20 IKED C[C@H](Oc1ccccc1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)c1ccccc1 761860747 JVIAPJOXHWXEKF-DFBJGRDBSA-N 427.504 5.304 30 20 IKED C=CCn1c(-c2cccnc2)nn(CNC2(c3cccc(Cl)c3)CCCC2)c1=S 764133249 LJFIDGWIOXCHIK-UHFFFAOYSA-N 425.989 5.332 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1nc(-c2ccc(Cl)cc2)cs1 766840760 IRXYQNCKLCNCOA-SOUVJXGZSA-N 432.854 5.861 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-n3cnc4ccccc43)nc2)cc1 768319422 OCUZAPLFEZMQEX-HSZRJFAPSA-N 429.483 5.328 30 20 IKED CC(C)(C)OC(=O)N1Cc2ccc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)cc2C1 769289486 QOCISFDVCFRTBJ-KRWDZBQOSA-N 437.496 5.176 30 20 IKED Cc1sc(-c2ccco2)nc1C(=O)OC[C@@H](C#N)Cc1cccc(Br)c1 774395661 JAIPKNUJDCRYRJ-CQSZACIVSA-N 431.311 5.013 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)ccc1F 776905765 BZURLEYFBFSBJV-UHFFFAOYSA-N 441.547 5.497 30 20 IKED CC(C)(C)n1cc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c(Br)n1 779854857 HCRSAMNWNLISSJ-UHFFFAOYSA-N 435.391 5.245 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccccc1-c1ccc(Cl)cc1 780054998 BNIYVCBSTQMCBW-IAGOWNOFSA-N 447.922 5.114 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(CC)Cc2c[nH]c3ccccc23)c1=S 785518380 ZCUBQSIIDBEGJJ-UHFFFAOYSA-N 433.581 5.237 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccsc3)N([C@@H]3C[C@H]3C3CC3)C2=O)c1 797427566 SVAHCLWXBPNAGM-DFQSSKMNSA-N 439.606 5.124 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)C[C@H]3CCC(F)(F)C3)s2)c(C(F)(F)F)c1 797835336 SAYGXQSWBNWGCH-LLVKDONJSA-N 429.414 5.388 30 20 IKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC(F)(F)F)c1 799215546 MYXQVGMBHBDBSK-GOSISDBHSA-N 449.498 5.134 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)C(C)(C)c2csc(-c3cccs3)n2)c1 799937209 LJOVAXJOOJVIMD-MRXNPFEDSA-N 425.579 5.147 30 20 IKED Sc1nnc([C@@H]2CCCCO2)n1N=Cc1ccc(-c2ccccc2Br)cc1 800814023 OIZOPYLOJKPCJW-SFHVURJKSA-N 443.370 5.120 30 20 IKED COCCCn1nccc1/C=C/C(=O)c1ccc(-c2ccccc2Br)s1 802703491 GWERJQSQHBVKKT-BQYQJAHWSA-N 431.355 5.307 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(Cl)c(Cl)nc1C 805179200 UXJRRILENHDRAJ-UHFFFAOYSA-N 426.303 5.708 30 20 IKED C[C@H](OC(=O)CCCCCC#N)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 805698624 ZTYNCWIUUWWGPE-JXFKEZNVSA-N 441.915 5.016 30 20 IKED C#C[C@H](NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)c1ccc(Cl)cc1F 805777840 MZRMEUXIXHUMFE-ABAIWWIYSA-N 445.869 5.218 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1cc(C#N)c2ccccc2n1 809078765 SIWOZHLKCMJJJA-UHFFFAOYSA-N 436.302 5.219 30 20 IKED C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)[C@@H](C#N)c1nc2ccccc2s1 915098166 JFUJTMLIVGIFEH-ZYHUDNBSSA-N 435.730 5.356 30 20 IKED Sc1nnc(-c2ccccc2Cl)n1N=Cc1cc2ccccc2nc1N1CCCCC1 916276720 HQUGDQLEVQNNSG-UHFFFAOYSA-N 448.983 5.308 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 916910976 LBRXNISHLBERSH-LJQANCHMSA-N 440.890 5.154 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(COc2ccc(F)cc2)o1 916916031 UCRCTYQFYCUUPG-NRFANRHFSA-N 428.419 5.112 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2nn(-c3ccc(C)cc3)c3c2CCC3)cc1 916949078 LMSONLRPNYRDHV-JPYJTQIMSA-N 440.547 5.144 30 20 IKED N#C[C@@H](C(=O)COc1ccc(C(F)(F)F)cc1)c1nc(-c2ccc(Cl)cc2)cs1 916976892 WKKGOCKZAARPKX-INIZCTEOSA-N 436.842 5.738 30 20 IKED N#C[C@@H](C(=O)CN1CCc2sccc2[C@@H]1c1cccs1)c1nc2ccccc2s1 917063649 DIDBOFPHWPULOA-YCRPNKLZSA-N 435.599 5.243 30 20 IKED Cc1ccc(Nc2nc(Cl)c(C=Nn3c(C)cc(C)c(C#N)c3=O)s2)cc1Cl 917569304 NZTGZECGIPZCPS-UHFFFAOYSA-N 432.336 5.034 30 20 IKED N#C[C@@H](Cc1ccccc1)Sc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCC3 917952660 CYPILQWSJJOJPX-GOSISDBHSA-N 447.585 5.205 30 20 IKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1csc(-c2ccc(Cl)s2)n1 920109402 FJUIQSQWUOSNIK-VIFPVBQESA-N 440.308 5.279 30 20 IKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccoc4Cl)CCC3)cc2)cc1 1785797613 XPMUKYUUXQVSGV-UHFFFAOYSA-N 447.922 5.185 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc4sccc4[nH]3)cc2)CCC1 1789369854 FWMZTZJRKVBRMG-IBGZPJMESA-N 433.577 5.746 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3cccc(C)n3)CCC2)cc1 1789453289 UIVNBFFEVNMDIQ-XMMPIXPASA-N 431.580 5.225 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CCCC(=O)Nc3ccccc3)CCC2)cc1 1791243800 GCYICPFIPAZGAS-FQEVSTJZSA-N 447.579 5.142 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)o4)CCC3)cc2)c1 1792124034 ZBSLLMGXWQWPMV-MRXNPFEDSA-N 447.922 5.622 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](C)c3ccc(Cl)cc3)C2)CC1 1805194170 LSHJGPPEVWOKDS-NZQKXSOJSA-N 443.031 5.443 30 20 IKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1 1812808289 WTOUOEQZYIUNFW-ZEQKJWHPSA-N 439.644 5.278 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccnc(C(F)F)c2)[nH]n1 1814442869 ZKUXMVQTWVIZOL-GOSISDBHSA-N 445.514 5.041 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](c3ccccc3)[C@H](C)CC)n[nH]2)C1 1816846993 FNWULJHCXLPSRW-XANCMCCPSA-N 434.584 5.198 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccsc3[nH]2)CC1 1829068564 DTIPXGBPSMLDGW-NRFANRHFSA-N 441.641 5.455 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccncc2-c2ccccc2)CC1 1829490813 FRBSMTVSTIZDPR-HFZDXXHNSA-N 445.607 5.194 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 1831371668 YMAJVGHGCCZJBJ-WMZHIEFXSA-N 443.031 5.204 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(C)cc2)cc1 10173177 RMVIKRNYGMNXPQ-UHFFFAOYSA-O 425.524 5.564 30 20 IKED C=CCn1c(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)nnc1-c1ccccc1 10989420 SIJHDVYBLVBIQS-UHFFFAOYSA-N 443.454 5.492 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)cc1)=C(/S)Nc1ccc(F)c(Cl)c1 22799832 FOQZKQMFVKOGIF-UHFFFAOYSA-O 427.952 5.688 30 20 IKED COc1ccc(CN[C@@H](c2ccc(F)cc2)c2ccccc2Cl)cc1OCCCC#N 64614589 XVRXYRYQSQWLED-VWLOTQADSA-N 438.930 6.049 30 20 IKED C=CCOc1c(Br)cc(CNCc2ccc3[nH]c(C)c(C)c3c2)cc1OC 65013661 ULHQUXFQXOPWBU-UHFFFAOYSA-N 429.358 5.410 30 20 IKED COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)N(C)CCC#N)cc1OC 72053411 ZOSNHKWWLRRVDL-KNTRCKAVSA-N 441.531 5.115 30 20 IKED N#CCCn1cc(/C=C\C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c2ccccc21 96578749 VLEYJOXJXIIDKX-GHYICZDASA-N 440.572 5.584 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 116681874 GTCQAFLCGHCVAJ-NRFANRHFSA-N 432.490 5.119 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccccc3OCc3cscn3)c2)cc1 261489167 XWDWCKRJHROPTK-UHFFFAOYSA-N 441.512 5.425 30 20 IKED N#Cc1cc(NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)ccc1C(F)(F)F 302423718 OPVHAMBDHAMSOG-UHFFFAOYSA-N 441.375 5.313 30 20 IKED Cc1c(C#N)c(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)n(C2CCCC2)c1C 428639373 JBQXEFVMTDTHCW-UHFFFAOYSA-N 429.446 5.099 30 20 IKED C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1cccc(SCC#N)c1 429941696 ZIAGSAQWDOHLTR-IYBDPMFKSA-N 441.984 5.611 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cnn1-c1cccc(C(F)(F)F)c1 430617775 OWGRAIBNJQRQDB-OAHLLOKOSA-N 432.471 5.444 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)N[C@H]1COc2ccc(F)cc21 436394998 VFCYMVCJQSDBPX-GJZGRUSLSA-N 436.327 5.271 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(CN3CCSCC3)cc2)cc1F 437467742 AWZWJVFNHMLVOP-UHFFFAOYSA-N 447.535 5.291 30 20 IKED Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 438223850 GKQBAGHDACBAOO-QUURXOELSA-N 444.579 5.313 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(-c3csc(C)n3)cc2)c1C#N 440426923 DBMNJWHIKIWNLP-UHFFFAOYSA-N 431.546 5.150 30 20 IKED N#Cc1cnc2c(Br)cccc2c1NCc1ccc(NC(=O)c2ccco2)cc1 440638610 MGRMOAJBFFQAFH-UHFFFAOYSA-N 447.292 5.326 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC3(CCCCC3)C2)cc1Cl 442257477 UODFWCBKGFZVEV-OAQYLSRUSA-N 435.955 5.117 30 20 IKED C=CCN(C(=O)CCCOc1ccc2c(c1)NC(=O)CC2)c1nc(-c2ccccc2)cs1 447200243 ODBRQHMPHROCAG-UHFFFAOYSA-N 447.560 5.073 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CCCNC(=O)c1ccc(F)cc1 460168266 JLCZIDFEAALPDF-UHFFFAOYSA-N 449.913 5.094 30 20 IKED CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)C1 460331235 QFJCZOGNKVCFCO-WIYYLYMNSA-N 437.971 5.030 30 20 IKED COc1ccc([C@H](NCC(=O)Nc2ccc(CC#N)cc2)c2ccccc2Cl)c(C)c1 462167216 GOPIRBFKWYZFRS-VWLOTQADSA-N 433.939 5.041 30 20 IKED N#Cc1ccc(CN2CCC(N[C@@H]3CCCc4sc(-c5ccc(F)cc5)nc43)CC2)cc1 463264472 GLIQKMRLMONPAI-HSZRJFAPSA-N 446.595 5.452 30 20 IKED Cc1nc(-c2cccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)c2)cs1 463483531 IDIHWMWUDUGLMO-UHFFFAOYSA-N 439.540 6.130 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Nc2ccc(NC(=O)c3cccs3)cc2)c1 467404470 ZCJZDTAHLKPBOA-IBGZPJMESA-N 446.576 5.365 30 20 IKED C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 467918704 HDUBQVZCOZXLOK-WCBMZHEXSA-N 438.290 5.451 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@@H](Cc3cccc(F)c3)c3cccc(F)c3)ccc21 468777963 BAKVXKDDZRRRRV-VWLOTQADSA-N 445.513 5.944 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@H]3CCc4ccc(OC(F)(F)F)cc43)ccc21 469086774 SPQGCHMGTLQZIA-FQEVSTJZSA-N 429.442 5.268 30 20 IKED CN(C(=O)c1ccc(NCc2nnc(-c3ccc(C#N)cc3)o2)cc1Cl)C1CCCCC1 471611951 RKVYJSNOYANVRL-UHFFFAOYSA-N 449.942 5.278 30 20 IKED CCc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1C1CCCC1 474978572 ZYGACSSVCLEISS-CQSZACIVSA-N 426.492 5.452 30 20 IKED COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)C[C@H](CC#N)c2ccccc2)CCC3)cc1 475788339 BRLYAPZHRRZQHK-FPOVZHCZSA-N 431.561 5.400 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@@H](C)c1nc(-c2ccccc2)no1 476192218 CHWSAHTYXBCTAF-HOTGVXAUSA-N 438.578 5.421 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(N3CCCNC3=O)c2)cc1Cl 477211666 HMFLYBMWYKMROF-JOCHJYFZSA-N 444.922 5.167 30 20 IKED C=C(C)[C@@H](NC(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C)c1ccc(F)c(F)c1 480617086 WNRSMWOMBDTBRL-HSZRJFAPSA-N 435.474 5.964 30 20 IKED Cc1ccc([C@H](N[C@H]2CCCCc3cc(C#N)ccc32)c2cccc(S(C)(=O)=O)c2)cc1 481657130 ZFNQSVRPWNTGAN-SVBPBHIXSA-N 444.600 5.417 30 20 IKED N#Cc1ccc(SCC(=O)N(c2cccc(Cl)c2)c2nc3ccccc3s2)cc1 482168473 ZKYWCAKXWJBFNC-UHFFFAOYSA-N 435.961 6.278 30 20 IKED CC[C@@H](CC#N)NC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482350838 VYPFOIQLNONXJX-RYUDHWBXSA-N 435.290 5.319 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 483087412 LKLSTIGDORJLLE-UHFFFAOYSA-N 442.475 5.764 30 20 IKED N#CCCN(C(=O)c1csc(-c2ccc(F)c(F)c2)n1)C12CC3CC(CC(C3)C1)C2 486567695 RKASTBNDKJPNCN-UHFFFAOYSA-N 427.520 5.413 30 20 IKED COCCOc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1Cl 490771716 HIBACTYVQXJBHB-UHFFFAOYSA-N 438.936 5.640 30 20 IKED CC[C@H](NC(=O)Nc1cc(F)c(OC(F)F)cc1F)c1nc(C(F)(F)F)cs1 491335006 PTMNFELSCCQIMF-QMMMGPOBSA-N 431.333 5.314 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1c(C)nn(CC(F)(F)F)c1C 498838284 OOIIXLGOARVKCY-LLVKDONJSA-N 434.915 5.236 30 20 IKED Cc1ccc(OCc2nc(CNC3CCC(Oc4ccccc4C#N)CC3)cs2)cc1 500889476 BVOGNPLJVIDENX-UHFFFAOYSA-N 433.577 5.382 30 20 IKED Cc1ccc(Nc2nnc(SCC(=O)N(CCC#N)c3cccc(C)c3C)s2)cc1 501563275 VOYOBROKOVIIDL-UHFFFAOYSA-N 437.594 5.246 30 20 IKED COc1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c(C(F)(F)F)c1 503127582 WPPIJEGFGZKGGB-UHFFFAOYSA-N 426.394 5.417 30 20 IKED C=CCCc1ccccc1NC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1 505011519 WOSRIUYQXKFZQU-UHFFFAOYSA-N 443.547 5.525 30 20 IKED Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 505324293 AVPAMRDLONVLFK-QFIPXVFZSA-N 440.528 5.087 30 20 IKED COc1ccccc1OCc1ccc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)o1 505532859 NHMAPUMHWDBWTC-MRXNPFEDSA-N 431.275 5.169 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(OCc3ccccn3)c2)c1 508506447 SCGSCWZXCILZFA-UHFFFAOYSA-N 435.483 5.364 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1c[nH]c2ccccc12)C(F)(F)F 513147406 BDWFWLAFPKEOFA-LHSJRXKWSA-N 446.498 5.251 30 20 IKED Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cccc(COc2ccccc2C#N)c1 513499060 KVRBHADDMYEXPI-UHFFFAOYSA-N 427.504 5.293 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)nc2ccccc21 513676778 KMZBOEIXWXFBIM-KRWDZBQOSA-N 441.878 5.162 30 20 IKED CCCn1c(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nnc1-c1cccc(C)c1 514955368 VKYQTFFRQHFFJU-MZXKRHHESA-N 439.629 5.075 30 20 IKED Cc1cccc([C@@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 515796512 DBGHLGSEVTTZED-SANMLTNESA-N 425.532 6.009 30 20 IKED C=CCN(C(=O)CCCc1ccc(Cl)c(Cl)c1)[C@H](C)c1cccc(-n2cnnn2)c1 518728611 MFPZVMZLBFABJE-MRXNPFEDSA-N 444.366 5.068 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(OC3CCCC3)cc2)cc1C 519943579 XUVZGXZBACQXGN-UHFFFAOYSA-N 428.536 5.654 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c2c(C(C)C)noc2n1 519947221 CRJTZNZYZIUBHP-ZDUSSCGKSA-N 438.459 5.546 30 20 IKED CC(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 520193621 XVXDDYHGFGEZOU-UHFFFAOYSA-N 427.504 5.071 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)N1CCC(C#N)CC1 520581486 YOLZOIAQJGOHLG-UHFFFAOYSA-N 430.430 5.034 30 20 IKED C[C@H]1Sc2ccc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2NC1=O 521261611 WBOHPNPCGMQAMS-ZYHUDNBSSA-N 441.484 5.011 30 20 IKED N#C[C@@H](Sc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)C1CCCCC1 522332888 UARRDSMPRFCRKN-JOCHJYFZSA-N 432.549 5.287 30 20 IKED Cc1nc2ccccc2n1CCNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 522587830 NIDKZYCUSMTIAE-UHFFFAOYSA-N 430.895 5.092 30 20 IKED Cc1cc(C)n(-c2ccc(-c3noc(-c4cccc(COc5ccc(C#N)cc5)c4)n3)cn2)n1 523712890 KZUMOUPSEOFVEL-UHFFFAOYSA-N 448.486 5.052 30 20 IKED COc1ccc(C(=O)CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 524249977 SBMGFTNZOIRWHN-UHFFFAOYSA-N 428.488 5.056 30 20 IKED CCC(CC)CN(CC)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524428737 XBGCHCSPWWIKBS-UHFFFAOYSA-N 441.959 5.014 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 525142715 VMAQKGZGQZKMRC-UHFFFAOYSA-N 443.290 5.487 30 20 IKED C[C@@](C#N)(CCc1ccccc1)NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 533504324 AKBSQBWTQLPQJV-SANMLTNESA-N 445.588 5.354 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn(CC(C)C)c1C(F)F 533903785 XRUVIBHIFLBDQI-UHFFFAOYSA-N 438.478 5.488 30 20 IKED C=CCN(C(=O)c1cc(Br)cc2cccnc12)c1nc2c(s1)CCCC2 534654652 IENCTXKXDUFKHE-UHFFFAOYSA-N 428.355 5.165 30 20 IKED CC(C)(C)c1cc(NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)c(C#N)s1 536972536 AUBSQWMNFNDODO-UHFFFAOYSA-N 429.630 5.501 30 20 IKED N#Cc1ccc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1C(F)(F)F 537560336 DWQUOBMBWOAMMW-MRXNPFEDSA-N 446.477 5.154 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2ccccc2)[C@@H](C)CCO)cc1 537926959 PMIGTZWGLNTKEC-IBGZPJMESA-N 445.519 5.164 30 20 IKED CC(=O)CCc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 542001943 XCORVKQJFNIZRB-NHCUHLMSSA-N 440.543 5.392 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NCc3ccc(C#N)cc3OC(F)F)s2)cc1 543501839 GMQNLGNYPLUASH-ZDUSSCGKSA-N 429.492 5.451 30 20 IKED C=CCNC(=O)c1cccc(-c2noc(Cc3csc(-c4ccc(Cl)cc4)n3)n2)c1 545654783 MLSVISGEPFVXOT-UHFFFAOYSA-N 436.924 5.020 30 20 IKED Cn1ccc([C@@H](NCc2cccc(OCc3ccccc3C#N)c2)c2ccc(Cl)cc2)n1 546565267 OZLDBLHGIDAUFT-SANMLTNESA-N 442.950 5.403 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC2(CCO2)CC1 549292775 WSWJZQLRWUUKOF-SFHVURJKSA-N 430.980 5.024 30 20 IKED N#Cc1ccc(N2CCC(Nc3cccc(C[S@@](=O)Cc4ccccc4)c3)CC2)cc1 552283921 NAVYKKQPTSGPKE-HKBQPEDESA-N 429.589 5.088 30 20 IKED N#Cc1ccc(NC2CC2)c(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)c1 552576595 GADFAKBYKKNBKE-UHFFFAOYSA-N 440.290 5.274 30 20 IKED C[C@H](Nc1cc(N[C@H](C)c2ccc(C#N)cc2)c(C#N)cc1[N+](=O)[O-])c1ccc(C#N)cc1 553310015 RXNOVYPPAVQCCF-SJORKVTESA-N 436.475 5.556 30 20 IKED C=CCC[C@@H](N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(C(F)(F)F)cc1 560908615 LHRZSOBIGMFHLB-IIBYNOLFSA-N 440.531 5.314 30 20 IKED N#Cc1cccc(CC(=O)Nc2ccc(NC(=O)c3cc(Cl)ccc3O)c(Cl)c2)c1 561304488 GDEVJAWOOQKZDB-UHFFFAOYSA-N 440.286 5.004 30 20 IKED N#Cc1c(Br)cccc1NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 573011151 GTVRFPCBDHQBJV-UHFFFAOYSA-N 437.341 5.052 30 20 IKED N#Cc1ccc(CNCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c(C(F)(F)F)c1 573408692 HUSRFHRGZMLESH-UHFFFAOYSA-N 446.476 5.779 30 20 IKED COc1cccc(OC(F)(F)F)c1CNC(=O)Nc1ccccc1S[C@@H](C)CC#N 576968563 ZDACSAHETHZZBG-ZDUSSCGKSA-N 439.459 5.310 30 20 IKED CSCC[C@@](C)(C#N)NC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1 580917222 SDVASUFZMRQBLA-QFIPXVFZSA-N 445.009 6.144 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NCc3ccnc(Oc4ccccc4)c3)cc2)ccn1 589363289 LCXBSOJUGYJSDL-UHFFFAOYSA-N 437.459 5.255 30 20 IKED COc1ccc(C(=O)CCCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 590275731 LMEBGQHYKBNMRN-UHFFFAOYSA-N 442.515 5.446 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc2nc(C(F)F)[nH]c2c1 592372198 QZMPXCRVUKPWSI-RKDXNWHRSA-N 429.311 5.140 30 20 IKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603693473 WFVWUNIRUCYLDB-OAHLLOKOSA-N 429.505 5.580 30 20 IKED C=CCN(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603750985 ZYPXFSKFRJFWMC-HUUCEWRRSA-N 439.459 5.606 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(-c2ccco2)nc1O 609061197 VLNSWKGXYNJWPZ-UHFFFAOYSA-N 425.444 5.059 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H](Nc2ccccc2)C1 609208062 UFMJLEYGZSJFBD-HSZRJFAPSA-N 426.520 5.164 30 20 IKED COc1ccc(-c2nc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cs2)cc1OC 609427474 BDDXRLGFVXNFEC-CQSZACIVSA-N 439.562 5.474 30 20 IKED C[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc2nc(O)[nH]c2c1 609729937 CJHKOXRJMOQAIH-CYBMUJFWSA-N 432.867 5.077 30 20 IKED CC(C)CNC(=O)c1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1Cl 609987693 SBRWEIRIRKIIJJ-UHFFFAOYSA-N 446.938 5.593 30 20 IKED COc1ccc([C@H](Cc2ccccc2C)NC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1OC 610355492 SFYBQMSQIOGOPP-CYFREDJKSA-N 443.547 5.228 30 20 IKED C[C@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 610809897 JJCMUNUMQQSINZ-ZDUSSCGKSA-N 442.407 5.310 30 20 IKED C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 611556516 QSCBTXXOHRKKKY-APWZRJJASA-N 431.458 5.526 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C)n1Cc1ccccn1 613319878 OKCYIHCPJAHRQM-OAQYLSRUSA-N 446.963 5.815 30 20 IKED N#C[C@@H](C(=O)c1sc2cccc(Cl)c2c1Cl)c1nc2ccccc2n1C(F)F 613403881 KTRSSNNJOLMZEU-VIFPVBQESA-N 436.270 6.443 30 20 IKED Cc1ccnn1-c1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 613404927 QOBYVRANCGRXIN-MRXNPFEDSA-N 426.423 5.299 30 20 IKED CC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 642281658 ODNKBRUNYIUIFF-INIZCTEOSA-N 430.316 5.565 30 20 IKED C=CCN(C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1)c1ccccc1 642365379 BDWAFVVINFIERB-UHFFFAOYSA-N 449.348 5.843 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)NCC(F)(F)c2ccc(Cl)cc2)c1C(F)F 672271872 XNPPMITUIRMLSI-UHFFFAOYSA-N 431.739 5.035 30 20 IKED C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Nc1cccc(C#Cc2cccs2)c1 672624248 URLIRVKPXWNTPF-KRWDZBQOSA-N 431.565 5.006 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1F 674305263 MNADNEJEKHENMB-BRPSZJMVSA-N 425.266 5.484 30 20 IKED O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 678537539 BTONWINAIKNVCQ-OCAPTIKFSA-N 430.299 5.095 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)c(C(F)(F)F)c(F)c1 683187360 UTLDYDBZCXSMIG-HTQZYQBOSA-N 443.256 5.623 30 20 IKED C[C@H](OC(=O)c1occc1COc1cccc(C#N)c1)c1nc2ccccc2n1C(F)F 726497747 BZIJTFOQTUIXFY-AWEZNQCLSA-N 437.402 5.393 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCO[C@H](c3ccccc3F)C2)c1=S 727423187 CAFYTEUKGNNTAJ-FQEVSTJZSA-N 444.963 5.091 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)C2CC2)cc1 727590097 UESCVOQSMJWCES-KRWDZBQOSA-N 446.403 6.041 30 20 IKED C[C@@H](NC(=O)CNc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc(F)cc1 728051964 VIGSYHSMCSYPCM-MRXNPFEDSA-N 437.902 5.219 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1cc(F)ccc1F 728062648 RQIOCWQUKWGBLV-CQSZACIVSA-N 441.865 5.508 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 728299673 UTPJVGVIFGPHRU-OAHLLOKOSA-N 448.885 5.241 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C1(c2cccc(F)c2)CCCC1 731069625 CMURCTSOSNCVII-KRWDZBQOSA-N 440.540 5.071 30 20 IKED C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 732023687 VHIRVENRFMRKPI-BVFVYWQFSA-N 426.516 5.536 30 20 IKED Cc1cccc(-c2nnc([C@H](C)OC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)o2)c1 732377214 DKBYYQIWDJTIEI-SFHVURJKSA-N 439.471 5.821 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccncc2)Cc2cccnc2)cc1 733622383 SQUKVJKKYBVCAP-AREMUKBSSA-N 433.515 5.366 30 20 IKED CSCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1 735970033 SPUPCZIMUJYFCJ-SFHVURJKSA-N 448.013 5.053 30 20 IKED Cc1oc(-c2ccccc2F)nc1C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 739144854 YOAWOLFFUQCBRH-HNNXBMFYSA-N 445.422 5.065 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(COC3CCCC3)cc2)ccc1OC 740465767 RTPBSHOTTSEURU-OAQYLSRUSA-N 437.540 5.157 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NC[C@H](O)c2c(F)cccc2Cl)c1 741300277 YGAAFCUGYSCMAD-IBGZPJMESA-N 445.277 5.260 30 20 IKED N#CCSc1ccccc1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCCC1 742091812 DNBJNKHNZVPOGM-UHFFFAOYSA-N 432.511 5.953 30 20 IKED C[C@@H](OC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)C(=O)Nc1ccccc1C#N 744595941 DEHNIZBXSPIMED-LLVKDONJSA-N 446.315 5.173 30 20 IKED CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 744767025 WMYAMZVGMFIDMV-QHCPKHFHSA-N 448.517 5.216 30 20 IKED CCOCCOCc1cccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1C 746025218 DBWFTMNTCSZBIQ-RUZDIDTESA-N 443.547 5.848 30 20 IKED CC(C)n1cc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cn1 746686884 OJANVZFZOQLINE-TWGQIWQCSA-N 428.319 5.919 30 20 IKED Cc1ccc(C)c(-n2c(-c3ccccc3Cl)nn(CN(C)C[C@@H](C)C#N)c2=S)c1 746705815 BSPMWTWUSQPMLF-INIZCTEOSA-N 425.989 5.390 30 20 IKED Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)[nH]c2c1 747294351 HNEOAXCWNWLFIH-RDGATRHJSA-N 435.531 5.896 30 20 IKED C/C(=C/C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c1ccc(C(F)(F)F)cc1 748176743 XTVCVWHVWPTSQP-UVTDQMKNSA-N 426.360 5.571 30 20 IKED Oc1ccc2ccccc2c1/C=N\C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 749748848 QROAPVHFNXRRPK-WHXCVRPHSA-N 428.454 5.057 30 20 IKED CC[C@H](C(=O)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1)c1cccc(C(F)(F)F)c1 752312765 SGBCAVNWGSKXAX-MOPGFXCFSA-N 434.458 5.205 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(C2CC2)[C@H](C)c2cccc(C(F)(F)F)c2)c1 754922247 XBPHYZYFAUGCJT-IIBYNOLFSA-N 445.485 5.822 30 20 IKED CC(=NNc1ccc(OC(F)(F)F)cc1)c1ccc(CNC(=O)OC(C)(C)C)nc1C 760251569 YQMGFPSTSMYTEV-UHFFFAOYSA-N 438.450 5.149 30 20 IKED C[C@H](ON=Cc1ccc(Br)cc1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 760415758 CSSPUFNLHWMMIJ-JTQLQIEISA-N 441.112 5.918 30 20 IKED Cc1cc(C)n(-c2ccccc2CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)n1 761619125 NWZOTXIAWCNBDO-VWLOTQADSA-N 435.531 5.466 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CCSC[C@@H]2c2ccc(C)cc2)c1=S 765009860 FCNOXQQDGYSQNG-OAQYLSRUSA-N 437.638 5.108 30 20 IKED C=CCn1c(SCC(=O)N(Cc2ccco2)C2=CCCCC2)nnc1-c1ccccc1C 765358965 UKXVJQVKESJYSG-UHFFFAOYSA-N 448.592 5.611 30 20 IKED Cc1ncsc1-c1nc2ccccc2n1CC(=O)OCc1ccccc1C(C)(C)C#N 768042704 TYQZCVJUINGCNZ-UHFFFAOYSA-N 430.533 5.013 30 20 IKED Cc1ccncc1[C@H](C)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1 770573398 BPBMHDDRDYLWTQ-AVRDEDQJSA-N 444.560 5.112 30 20 IKED Cc1ccncc1[C@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1 770573403 BPBMHDDRDYLWTQ-PGRDOPGGSA-N 444.560 5.112 30 20 IKED CCOC(=O)c1sc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)c(C)c2)c(C#N)c1C 772021433 OIFYCSCBTCKWCX-UHFFFAOYSA-N 443.525 5.013 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc3ccccc3c2OC(F)F)ccc1OC 772979846 NOXSJAVSDFYNLL-VQIMIIECSA-N 440.490 5.982 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(C(C)(C)C(F)(F)F)cc1 774045039 WREVSSMNAAPECZ-IBGZPJMESA-N 430.470 5.612 30 20 IKED O=C(O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cc(OCC(F)F)ccn1 778024333 OXJYMDLNSHIIPU-CQSZACIVSA-N 429.263 5.205 30 20 IKED CC(C)(C)OC(=O)N1CC=C(CNC(=O)c2ccccc2Sc2ccccc2C#N)CC1 778112320 JUQJZCZXWGXFKP-UHFFFAOYSA-N 449.576 5.006 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(F)c(N4CCCCC4)c(F)c3)cc2)nc1 778732604 LZFKRCRAGWNHSS-UHFFFAOYSA-N 434.446 5.266 30 20 IKED COc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c(Cl)c1 780313712 RJIKSKLFNFWNAM-SFHVURJKSA-N 438.936 5.620 30 20 IKED CC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ncc(-c2ccccc2)[nH]1 782553546 QIBAQKSLBUIQDY-ZEQRLZLVSA-N 435.531 6.005 30 20 IKED C#CCn1ccc(CN(CC)C(=O)Nc2ccc(Oc3cccc(F)c3)c3ccncc23)n1 788598252 NTWXOILZBNTJSY-UHFFFAOYSA-N 443.482 5.050 30 20 IKED O=C(/C=C/c1cnc(-c2ccc(Cl)cc2)s1)c1c(F)cccc1N1CCOCC1 789142824 MLVFMCJQRINRNN-CMDGGOBGSA-N 428.916 5.335 30 20 IKED O=C(/C=C/c1cscc1Br)c1ccc(S(=O)(=O)C2CCCC2)cc1 794703171 SVVLGLHHXYQFCQ-JXMROGBWSA-N 425.369 5.123 30 20 IKED CC(C)(C)OC(=O)N1CCCCC[C@@H]1c1noc(C2(c3cc(F)cc(C#N)c3)CC2)n1 795667116 ORNRGBQUGGTAGC-GOSISDBHSA-N 426.492 5.012 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)c3cc(C#N)ccc3Cl)cc2C(F)(F)F)C[C@@H](C)O1 796093143 INUMRLBVWXIIIV-BETUJISGSA-N 437.849 5.096 30 20 IKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)sc2ccc(C#N)cc12 796748892 WUINQNUUGOWDAK-INIZCTEOSA-N 428.300 5.349 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Oc3ccc4ccc(C(F)(F)F)nc4c3)CC2)c(F)c1 796900010 MSCYKVIBTPRWIT-UHFFFAOYSA-N 443.400 5.086 30 20 IKED Cc1ccc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cccc(Cl)c2Cl)c1 802709392 MZSAHXDHULKUBN-UHFFFAOYSA-O 441.363 5.784 30 20 IKED Cc1cc(-c2cc(C(=O)OCCCSCC#N)c3cnn(C(C)C)c3n2)c(C)s1 805359191 ZPBKNQYQGOHYKP-UHFFFAOYSA-N 428.583 5.161 30 20 IKED COc1ccc([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(C)c1OC 806200930 PUVWNYQRCQATHN-MBSDFSHPSA-N 429.520 5.550 30 20 IKED Cc1nn(-c2ccccn2)c(Cl)c1CNc1ccc(OCc2cccc(C#N)c2)c(F)c1 809635041 BROCNHJGNVOTNT-UHFFFAOYSA-N 447.901 5.431 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)c3cc(Cl)ncc3Br)c2)s1 810427301 GHIUMFPSNQBZLY-UHFFFAOYSA-N 432.730 5.028 30 20 IKED COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 896839735 DTDVFVROZSVAON-UHFFFAOYSA-N 447.299 5.407 30 20 IKED C=CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 913359468 OBGLULNZBBSDHK-GFCCVEGCSA-N 427.806 5.108 30 20 IKED COc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102720 FSLCDGRZYONNMO-AWEZNQCLSA-N 433.316 5.381 30 20 IKED COc1cc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)ccc1OC(F)F 916333331 JCRKHPIQBRSMRK-UHFFFAOYSA-N 445.278 5.033 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cc(Cl)c4c(c3)OCCO4)c2)cc1 916449932 TUUUAPJICLPDSD-UHFFFAOYSA-N 434.879 5.009 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2c(s1)-c1ccccc1OC2 916927408 IYFPLRHYEFIQEP-AWEZNQCLSA-N 443.311 5.575 30 20 IKED CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916928472 LXTUDCJQQVPXIP-KHTYJDQRSA-N 425.356 5.118 30 20 IKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(CC)[C@H](C)C(C)C)ccc1Cl 921296363 KHOOMUGSJZVYHB-GOSISDBHSA-N 449.016 5.228 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4[nH]ccc4n3)cc2)CCC1 1789268601 QQTSTFUPTNFLGM-HXUWFJFHSA-N 428.536 5.079 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cccc4cnccc34)cc2)CCC1 1789328075 ZLHIPWGIBABJTK-UHFFFAOYSA-N 435.474 5.194 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)C3CCC(C(F)(F)F)CC3)CCC2)cc1 1791581882 CQGVOUIXCDGPSR-UHFFFAOYSA-N 434.502 5.293 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4coc(Cl)n4)CCC3)cc2)c1 1792123224 ODQUYKXQGODRIS-HNNXBMFYSA-N 448.910 5.017 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792123424 ZXMHJCQFSYEMNT-FQEVSTJZSA-N 445.563 5.044 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cc(Cl)ccc3F)C2)CC1 1805140073 VZOUUSXYFASMOH-LJQANCHMSA-N 432.967 5.092 30 20 IKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1 1812808280 WTOUOEQZYIUNFW-BVAGGSTKSA-N 439.644 5.278 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(OC)ccc2C)[nH]n1 1819556021 PARMCNXNOVGLOS-NRFANRHFSA-N 438.572 5.025 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2C)CC1 1823915807 JDTZNHAUWNSYLN-FQEVSTJZSA-N 438.946 5.093 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(F)c2)CC1 1826549862 HFFXFRVQVWSYJT-QHCPKHFHSA-N 446.582 5.119 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccn(C)c23)CC1 1828277863 BJODPUIMLFRESB-ZCYQVOJMSA-N 447.623 5.180 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)Sc2cccs2)CC1 1828779748 UVFAYFAVNSKSQL-BJLQDIEVSA-N 434.671 5.061 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccc3c(c2)CCCC3)c1 11153545 MOKFWTSSIVHDPP-UHFFFAOYSA-O 443.636 6.137 30 20 IKED CC(C)c1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2cccc(O)c2)cc1 11263130 LWZIENVKAUFEMO-UHFFFAOYSA-O 447.624 6.152 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2cccc(C)c2)cc1 11268227 NSMIEPBRDACHMH-UHFFFAOYSA-O 444.407 6.203 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccccc1Sc1ccccc1C#N 15806214 NVPUCAOAOKHIER-KRWDZBQOSA-N 446.528 5.292 30 20 IKED C=CCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)Cc1cccs1 16395461 RIQIKORJFRBQFA-SFHVURJKSA-N 427.620 5.237 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@@H](C)c1cccc2ccccc12 30969670 KDTABMWBYJGTBW-IBGZPJMESA-N 442.588 5.178 30 20 IKED C=CCn1c(SCc2ncc(-c3cccc(Cl)c3)o2)nnc1-c1ccc(F)cc1 32858004 IWKVDPXNJSOAHR-UHFFFAOYSA-N 426.904 5.871 30 20 IKED COc1ccc(C(=O)/C=C\c2cccc(/C=C\C(=O)c3ccc(OC)cc3F)c2)c(F)c1 34714689 GPAMNQHCCQLIJB-QXFGSWAMSA-N 434.438 5.774 30 20 IKED COc1ccccc1-c1csc(NC(=O)c2ccccc2Sc2ccccc2C#N)n1 58788294 FTQLBODKPRTCDD-UHFFFAOYSA-N 443.553 6.094 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccccc1COCc1ccccc1 63401781 DQDKWJOEJPMIBE-UHFFFAOYSA-N 425.532 5.173 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(-c3csnn3)cc2)cc1 64308846 OIFVZOOXTAFTCR-UHFFFAOYSA-N 428.542 5.621 30 20 IKED C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc2c(c1)CCC(=O)N2 71930199 OBUWGFDXKANFOV-INIZCTEOSA-N 427.529 5.085 30 20 IKED C[C@H](Nc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1)c1ccccc1 109153111 IHAPCGZKRDAUMI-IBGZPJMESA-N 437.499 6.156 30 20 IKED Cc1c(CN2CCSCC2)cccc1NC(=O)c1ccccc1-c1ccccc1C#N 109500161 UEFITROUFITQOQ-UHFFFAOYSA-N 427.573 5.335 30 20 IKED CCCCCCCCCCCCCCCCCC(=O)NC(=O)c1ccc(O)c(OC)c1 146031935 ZTAXXCZVXKTJTA-UHFFFAOYSA-N 433.633 6.919 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(N3CCOCC3)cc2)ccc1OCc1ccccc1 210038410 OOCVWZVNCIXNNR-QPEQYQDCSA-N 429.516 5.007 30 20 IKED CC[C@@H](C#N)Oc1cc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)ccc1OC 237021477 ASLJIDIVXPFFMN-KRWDZBQOSA-N 437.521 5.303 30 20 IKED N#CCSc1ccccc1NC(=O)COC(=O)c1ccccc1N=Nc1ccc(O)cc1 252457313 XZOTYCNGAVWDFP-UHFFFAOYSA-N 446.488 5.219 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CSCc2cccc(Cl)c2)cc1 302984128 QLWOVNPTBCTNET-UHFFFAOYSA-N 436.964 5.857 30 20 IKED CCO[C@H]1C[C@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C12CCCC2 303829690 HAXYXVHHFKEUMW-GOTSBHOMSA-N 446.551 5.012 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 409799152 VXVUFQMDBNQZHL-RBUKOAKNSA-N 438.314 6.103 30 20 IKED Cc1nn(-c2ccc(Br)cc2)cc1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 430590167 HBEOKEHWKUQXQL-HNNXBMFYSA-N 443.370 5.187 30 20 IKED N#CCCC[C@H](NC(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1ccccc1 433144136 BDQAQWMJLMKHIW-QXNWPYRLSA-N 431.561 5.551 30 20 IKED N#Cc1ccc(C2(C(=O)Nc3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)CC2)cc1 436318285 NDLNXEYVYLOTCA-UHFFFAOYSA-N 449.432 5.500 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)c(C)c1 437066836 BBQSWMNAXDEXOJ-QGZVFWFLSA-N 425.554 5.145 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H](CSc3ccccc3)C2)cc1 437842257 PDOKFKPBILJXEX-IBGZPJMESA-N 429.545 5.997 30 20 IKED Cc1ccc([C@@H]2CCCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 437882588 QXPFBTKAWCPZTH-VWLOTQADSA-N 438.531 5.878 30 20 IKED Cc1ncc(-c2ccccc2)cc1NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 439375434 DIBDPWKMPHYWCF-UHFFFAOYSA-N 448.482 5.298 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3cccc(-c4nccs4)c3)c2)cc1 439388029 QCFHTSDIKFAXLC-UHFFFAOYSA-N 440.484 5.051 30 20 IKED CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 442531670 CWYXLKIEFRXYAI-FHJLPGHOSA-N 435.593 5.095 30 20 IKED N#CC1(CS(=O)(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)CCCCC1 444227422 ZGDXFBSXRZZAAF-OAHLLOKOSA-N 442.425 5.092 30 20 IKED N#Cc1cccc(COc2ccc(N3C(=O)[C@H]4C[C@@H](C5CCCCC5)CN4C3=O)cc2F)c1 445956274 HCUBCZMQCDEFPW-NFBKMPQASA-N 447.510 5.014 30 20 IKED COc1cccc(C2(NC(=O)Nc3ccccc3S[C@@H](C)CC#N)CCOCC2)c1F 446168353 QUNRBTDHFHRJKE-INIZCTEOSA-N 443.544 5.056 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 448207213 XGKRDYPRVHLSNM-FDDCHVKYSA-N 435.955 5.093 30 20 IKED COC(C)(C)c1nc(C)c(C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)s1 463344093 IEHMNTZAQSWINK-UHFFFAOYSA-N 437.540 5.499 30 20 IKED COc1ccccc1[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C(C)C)c1ccccc1Cl 466075546 HIEKTDKMSTUDBC-RUZDIDTESA-N 447.966 5.930 30 20 IKED CCCN(C(=O)Nc1ncccc1OCCCC#N)[C@H](C)c1ccccc1Br 466601901 TYMUOWCLHLCSJY-MRXNPFEDSA-N 445.361 5.532 30 20 IKED C[C@H](CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)Cc1cccc(F)c1 467977376 LIEKBSNYJVFHEY-AWEZNQCLSA-N 426.542 5.049 30 20 IKED N#CCCn1ccc(NC(=O)Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)n1 470513086 OEXAHUQESYZVCG-UHFFFAOYSA-N 438.900 5.496 30 20 IKED COCCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(Cl)c1 472355892 MBRPBHFVIKCRAC-UHFFFAOYSA-N 440.858 5.421 30 20 IKED CC(C)([C@@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1ccc(F)c(F)c1)N1CCCC1 476619289 TZOSRMMJKWOWNI-CYFREDJKSA-N 425.523 5.084 30 20 IKED Cc1cc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)ccc1-c1ccccc1 480136593 UQQGCQHEFQOFQY-UHFFFAOYSA-N 429.495 5.748 30 20 IKED C=CCn1c(SC[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)nnc1-c1cccs1 480385403 HPLOWNZUYKRUCM-WMLDXEAASA-N 436.002 5.077 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 480564600 CJDCHNMEOAEXRO-AUUYWEPGSA-N 433.936 5.479 30 20 IKED C=CCn1c(SCc2nc(-c3ccc(OC)cc3)no2)nnc1-c1cccc(Cl)c1 481364384 BQIDAEHLPKUGJK-UHFFFAOYSA-N 439.928 5.135 30 20 IKED O=C(N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)N(CCC(F)(F)F)CC1CC1 482428086 SAGBQXVCXIYWRI-ZDUSSCGKSA-N 434.327 5.265 30 20 IKED N#C[C@@H](C(=O)c1ccc(COc2cccc(Br)c2)o1)c1nccc2ccccc12 483199068 RNJXMCLIZYWNLV-HXUWFJFHSA-N 447.288 5.659 30 20 IKED Cc1cc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)sc1-c1cccc(Cl)c1 486291610 KFSWSYZWTZASDK-UHFFFAOYSA-N 438.936 5.709 30 20 IKED Cc1cc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)ccc1NC(=O)c1cccs1 486596686 KLSAGCIKDVZDIQ-UHFFFAOYSA-N 447.604 5.634 30 20 IKED C[C@@H](SCc1ccccc1C(C)(C)C#N)c1nc(O)c2c(-c3ccco3)csc2n1 486766205 ANTFCUUOVCBYRZ-CQSZACIVSA-N 435.574 6.452 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3C[C@H]3c3ccccc3C(F)(F)F)s2)cc1 487383809 DNIJJPFFHMPTJX-ROUUACIJSA-N 427.451 5.367 30 20 IKED CCNC(=O)Nc1ccc(C)c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 487704907 WTJKPYBHJLFNGA-UHFFFAOYSA-N 428.492 5.247 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@H](C)c1nnc(-c2ccc(C)cc2)o1 489657302 HVMXXHAHYFEFBS-QGZVFWFLSA-N 433.537 5.255 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2-c2c(F)cccc2F)o1 494542506 CIPYQGVZZJOMDR-UHFFFAOYSA-N 430.410 5.928 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Nc1cccc(OCc2cccc(C#N)c2)c1 495531129 QHQKGDSYBBIBRA-LJQANCHMSA-N 431.561 5.214 30 20 IKED COc1ccc(-c2nc3c(s2)[C@H](NC(=O)NC2(c4cccc(C#N)c4)CC2)CCC3)cc1 496646813 CTQNGWOSZVJYGX-OAQYLSRUSA-N 444.560 5.056 30 20 IKED Cc1cccc([C@@H](NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c2ccccn2)c1 499010543 PRACAEBKDWPKRO-OAQYLSRUSA-N 440.425 5.114 30 20 IKED O=C(Nc1cc(F)cc(NCC(F)(F)F)c1)c1cccc(-c2noc(C(F)(F)F)n2)c1 509424550 DPHXEGKRPWCNHW-UHFFFAOYSA-N 448.298 5.121 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3ccccc3O)CC2)cc1Cl 510022592 FFZHXUWEMFFMFO-OAQYLSRUSA-N 446.938 5.055 30 20 IKED C=CCNc1nnc(SCc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)s1 510651260 VDACVQOJWQMMCE-UHFFFAOYSA-N 438.003 5.223 30 20 IKED CC(C)[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1 511018111 RIPYBPHZXFVBOL-QFIPXVFZSA-N 445.485 5.527 30 20 IKED CC1CCN([C@@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C(C)C)CC1 511443013 YWKYUAPDTBGWSF-SANMLTNESA-N 448.611 5.210 30 20 IKED CN(C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)[C@H]1CC[C@@H](C(F)(F)F)CC1 516604034 HKSOOMBHNJMUPA-BJHJDKERSA-N 437.359 5.223 30 20 IKED CCc1cccc2c(CC(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c[nH]c12 517577645 LLNUDJXFSDANCP-UHFFFAOYSA-N 431.483 5.936 30 20 IKED CC(C)(C)CCCCNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 517944000 ODYVXMDCWZPBOB-FQEVSTJZSA-N 425.960 5.267 30 20 IKED N#CCCN(C(=O)c1csc(-c2ccc(Br)s2)n1)c1ccc(F)cc1 520557191 BEWGLACVWIXWAF-UHFFFAOYSA-N 436.331 5.334 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1csc(C2CCCC2)n1 520817460 AVLSUSAXLSBGSY-OAHLLOKOSA-N 431.652 5.924 30 20 IKED Cc1nc(CCC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)oc1-c1ccccc1 521243581 RNDVTKGBHAWSDT-UHFFFAOYSA-N 437.499 5.672 30 20 IKED COc1ccc([C@H](Cc2ccccc2C)NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1OC 521510580 BMSMJKFVPFCXIO-DVECYGJZSA-N 443.547 5.228 30 20 IKED CC(=O)c1ccc(Cl)c(Cl)c1OCC(=O)Nc1ccccc1SC[C@H](C)C#N 521720652 VOSYGUJFPSCPMG-GFCCVEGCSA-N 437.348 5.465 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(CCc1ccccc1)Cc1ccccc1 521809273 YGHDPFXYFYBEKD-NRFANRHFSA-N 429.589 6.358 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(NC(=O)CC4CCCC4)CC3)cc2)c1 521810389 MYRTYABMBZCAKL-UHFFFAOYSA-N 446.551 5.043 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCCn2nc(C(C)C)nc21 531774571 TVANUTUFFDGFFZ-OAQYLSRUSA-N 430.512 5.031 30 20 IKED Fc1cccc([C@H](NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccn2)c1 535735135 FJXPSWHPPRHGRL-IBGZPJMESA-N 428.351 6.138 30 20 IKED C[C@H](NC(=O)N(CCN(C)C)Cc1cccs1)c1ccc(-c2cccc(C#N)c2)cc1 541156683 KAVAKIYSTUYWAW-IBGZPJMESA-N 432.593 5.121 30 20 IKED Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 541993626 HSAZCCRQPVHLFL-JOCHJYFZSA-N 429.524 5.840 30 20 IKED CN(C(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 542680537 ALOHPTWARRKRRA-JWQCQUIFSA-N 429.495 5.005 30 20 IKED C[C@@H](NC(=O)NCc1csc(-c2ccco2)n1)c1ccc(-c2cccc(C#N)c2)cc1 543009167 CAEYRYJMUGUBJI-MRXNPFEDSA-N 428.517 5.502 30 20 IKED C[C@@H](C#N)CN(C)c1nnc(COc2ccccc2-c2ccccc2)n1Cc1cccs1 549948676 WGYODNLTAKIBLS-IBGZPJMESA-N 443.576 5.230 30 20 IKED N#Cc1ccc(-c2nnc(N3CC[C@H](c4ccc(Cl)cc4)C3)n2C[C@H]2CCCCO2)cc1 549998869 XOUUVWQOBWXDST-JTHBVZDNSA-N 447.970 5.033 30 20 IKED N#Cc1ccccc1COc1cccc(CN[C@H](c2cncc(Br)c2)C2CC2)c1 551619694 KUJHDMCQKSJVRA-DEOSSOPVSA-N 448.364 5.536 30 20 IKED N#CCCn1cc(CNc2ccc(C(=O)N3CCc4ccccc43)cc2)c(-c2ccccc2)n1 551823466 YKBSYVVUQZWXCF-UHFFFAOYSA-N 447.542 5.279 30 20 IKED CCN(Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1)C(C)C 554319542 GJMRAVFLJBECQZ-GOSISDBHSA-N 439.531 5.809 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccccc3COCc3ccccc3)CC2)c1 557078258 UFUNINJHBPATRX-UHFFFAOYSA-N 441.531 5.350 30 20 IKED C=CCn1c(SCc2cccc(SCc3ccccc3)c2)nnc1-c1cnccn1 561461935 AKSVDWQRTSGHJC-UHFFFAOYSA-N 431.590 5.506 30 20 IKED O=C(Cc1noc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)Nc1ccc(F)cc1 561744726 UCRHAYCEIXYREM-UHFFFAOYSA-N 433.283 5.095 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@](C)(C#N)C1CCCCC1 570191965 COLUSANSAJKUHC-IVZQSRNASA-N 431.989 5.595 30 20 IKED CC(C)(C)OC(=O)Cc1cccc(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1 578180262 ZGWGLDDDIWEIEZ-UHFFFAOYSA-N 444.491 5.274 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)c1 589740393 UDBQNNUEDWLIOL-FQEVSTJZSA-N 431.330 5.009 30 20 IKED CCc1ccc(-c2nc(CC(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cs2)cc1 602230677 ZCLXXCKRDVZKKW-UHFFFAOYSA-N 444.585 5.473 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1cccc(Br)c1 603740141 OYKMMEUZCAVQSL-UHFFFAOYSA-N 436.309 5.388 30 20 IKED Cc1cccc(-n2nnc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c2C)c1 603962446 ZBOJXGTXBIECNL-JOCHJYFZSA-N 441.922 5.445 30 20 IKED CC(C)c1noc2ncc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc12 604003092 BAEVYVDOBMGPNN-UHFFFAOYSA-N 426.476 5.244 30 20 IKED C=CCCCCCN(C)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 606980589 NDWHQHSVRHOYTK-PZJWPPBQSA-N 425.539 5.476 30 20 IKED C=CCn1c(SCc2ncc(-c3ccccc3F)o2)nc2sc(C)c(C)c2c1=O 607757497 UXFJRLGSTWYLLR-UHFFFAOYSA-N 427.526 5.347 30 20 IKED CC(C)c1nc(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cs1 608840789 CLZIICQLVKJUHO-FQEVSTJZSA-N 438.984 5.940 30 20 IKED CCS[C@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)C(C)C 608937593 BXCOBCZBBATTOA-INIZCTEOSA-N 427.517 5.341 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c2)cc1 609642078 PROSSRFHYSWEIX-UHFFFAOYSA-N 446.466 5.449 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc(-c3cncnc3)cc2)c1 609789533 ZWHCQXGBCTXMDS-UHFFFAOYSA-N 426.863 5.713 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)CSCc1ccc(C#N)cc1 610154880 RKISTOWSIMZJBJ-UHFFFAOYSA-N 444.535 5.431 30 20 IKED C[S@@](=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)cc1 610296193 XSJVGIKRRAYSNE-WJOKGBTCSA-N 444.434 5.359 30 20 IKED C[C@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1cccc(C#N)c1 610359687 OECVXHANDCQBDA-AWEZNQCLSA-N 426.451 5.269 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(OCc4ccccc4F)CC3)cn2)c1 611260709 BPRQOECAOUZGPW-UHFFFAOYSA-N 446.482 5.098 30 20 IKED N#CCn1c(C(=O)N2CCC(COc3ccccc3C(F)(F)F)CC2)cc2ccccc21 614075958 QTKRHMVGJFCPPW-UHFFFAOYSA-N 441.453 5.115 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)c1-c1ccccc1 617450123 UVHKNBJWEZXQLL-UHFFFAOYSA-N 432.487 5.031 30 20 IKED C[C@@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1 618878738 YDMLKBMIBCDZRM-MZNJEOGPSA-N 441.556 5.154 30 20 IKED O=C(CCOCC(F)(F)C(F)(F)F)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1 622554403 YPFSANAPSBXHBB-UHFFFAOYSA-N 439.730 5.068 30 20 IKED C[C@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(C(F)(F)F)cs1 622564851 TUSDTVMVDRQCJE-LURJTMIESA-N 436.299 5.691 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1cccc(C)c1 645079395 SYZWDKXPQCLHTR-MRXNPFEDSA-N 442.972 5.124 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC2(CC1)OCc1ccccc12 670197346 AKUUXXMTZNAZKS-IBGZPJMESA-N 448.542 5.159 30 20 IKED Cc1c(NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)nn2c(C(F)(F)F)nnc2c1C 676412091 YIERAJPOFAQWKA-IUCAKERBSA-N 449.321 5.081 30 20 IKED Cc1cccc(NC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)c1F 678880293 DHWNZBIMTZNNHL-UHFFFAOYSA-N 431.311 5.610 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 684800004 YOTFMHDXGZVIQN-AOGLXQGOSA-N 448.329 5.169 30 20 IKED COc1ccc(/C=C\C(=O)c2sc(-c3ccc(C)cc3)nc2C)cc1OCCCC#N 727654032 FXOVFPBOYPPPBJ-WQLSENKSSA-N 432.545 6.014 30 20 IKED CCOc1c(OC)cc(/C=C2\CCc3nc(-c4ccc(F)cc4)sc3C2=O)cc1OC 727685444 NNCNXTYSKZYGCI-LFIBNONCSA-N 439.508 5.578 30 20 IKED C[C@@H](Sc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1)C(=O)N(C)CCC#N 729628837 OMWBKWFLQNBSIC-QGZVFWFLSA-N 438.984 5.104 30 20 IKED C=CCOc1ccccc1CN(C(=O)c1cccc(C[S@@](C)=O)c1)c1ccc(C)c(C)c1 732116020 VNUSHYXWWVHRTJ-JGCGQSQUSA-N 447.600 5.594 30 20 IKED C[C@@H](OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C(=O)Nc1ccc(F)cc1F 732377806 WAUMUKJSLUTYAF-OAHLLOKOSA-N 436.414 5.007 30 20 IKED C=CCc1ccc(OC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c(OC)c1 732632880 BSOWYUAEGRXNOY-UHFFFAOYSA-N 429.516 5.035 30 20 IKED C=CCN(CC1CCCCC1)Cn1nc(-c2ccncc2)n(CC(F)(F)F)c1=S 732671542 VNSHKGHLKFEXMY-UHFFFAOYSA-N 425.524 5.064 30 20 IKED N#C[C@H](C(=O)c1cc(Cl)nc(N2CCCC2)c1)c1nc(-c2ccc(Cl)cc2)cs1 733052682 OTLYEVNFVQPLHF-MRXNPFEDSA-N 443.359 5.602 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3ccccc3OC)cc2)c1 733843562 QLABWUJKGFPRJM-FQEVSTJZSA-N 431.492 5.490 30 20 IKED C=CC[C@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1ccncc1 734459829 LHYMGDCYVIUDCX-FQEVSTJZSA-N 428.467 5.349 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2ccc(N3CCCC3=O)cc2)c1 734993805 JBDZXXGBQNBLMK-UHFFFAOYSA-N 445.906 5.061 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C)c(NC(=O)NC(C)(C)C)c2)cc1 741111210 IPZJSGXIYUHTNW-IIBYNOLFSA-N 448.567 5.390 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)cc1F 743237841 GMRRXWJFDZDLRW-NRFANRHFSA-N 437.421 6.137 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cccc(-c2cscn2)c1 744026596 YYVZMXQTHWNTBY-INIZCTEOSA-N 429.473 5.086 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1C(F)(F)F 744033301 SEESXNFBZHERCD-BXUZGUMPSA-N 426.797 5.339 30 20 IKED CC(C)c1cccc(C(C)C)c1NC(=O)CON=C(N)c1ccc(N2CCCCC2)cc1 744445665 DQPLZJWYUKRXQL-UHFFFAOYSA-N 436.600 5.199 30 20 IKED CC(=O)c1cccc(O[C@H](C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 745312985 GUTXLNMBRYRBFU-WBMJQRKESA-N 432.423 5.161 30 20 IKED COc1cc(COC(=O)[C@H]2SCCc3ccccc32)ccc1OCc1cccc(C#N)c1 745479576 PJLOCDZPTSCKDF-VWLOTQADSA-N 445.540 5.220 30 20 IKED N#CCOc1ccc(CNC(=O)N(Cc2ccccc2OC(F)(F)F)C2CCCC2)cc1 745799767 UEHYJNSPZAAAGR-UHFFFAOYSA-N 447.457 5.142 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)Cc2csc(COc3ccc(Cl)cc3)n2)n1 747196864 DJHGVYVEHFRCNV-INIZCTEOSA-N 431.970 5.374 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2nc(C)n(-c3ccccc3C(C)C)n2)cc1 750394343 FPVMMPUSMRYIPP-VGSWGCGISA-N 443.551 5.174 30 20 IKED N#CCOc1ccc(Cl)cc1COC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2 751712682 ZVSFHXMNMZBDHD-LWYUSKRHSA-N 427.850 5.434 30 20 IKED N#C[C@@H](C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)c1nc2ccccc2n1C(F)F 751829834 HPQOWYOZFVNQTK-LNOIUPHCSA-N 437.412 5.757 30 20 IKED CC(=Nn1cnc2sc(C)c(-c3ccccc3)c2c1=O)c1cc(Cl)c(N)c(Cl)c1 754701261 QNPHGTCMNCMWBV-UHFFFAOYSA-N 443.359 5.595 30 20 IKED C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 755607936 AOHCQYVUFHPDSW-SHQCLWGWSA-N 431.395 5.503 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H](O)c1cc2ccccc2s1 757586552 NUYRJWKIMSZOGU-IBGZPJMESA-N 430.554 5.388 30 20 IKED N#C[C@@H](C(=O)CCc1cc(Br)ccc1F)C(=O)Nc1cccc2ccccc12 759214315 SVYRNSJAUWBKRA-SFHVURJKSA-N 439.284 5.022 30 20 IKED CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)[C@@H](C#N)c1nc2ccccc2o1)OCC3 759240662 USCJRXOXZVCDNJ-NIYFSFCBSA-N 427.504 5.316 30 20 IKED COC(=O)C[C@@H]1CN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c2ccccc21 761458747 GGGRUMXIIYBMJC-GOSISDBHSA-N 446.890 5.311 30 20 IKED Sc1nnc(-c2ccccc2Br)n1N=Cc1csc(Cl)c1Cl 761767513 PXBHINXCYTYAII-UHFFFAOYSA-N 434.171 5.247 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)Nc3ccc(Oc4ccc(Cl)cc4)nc3)CCO2)c1 761840999 BKZDORADKLQGOS-NRFANRHFSA-N 434.883 5.004 30 20 IKED C[C@H](C[C@H](O)c1cccs1)NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 762024638 NUPHJJWRIVYSHI-KDOFPFPSSA-N 426.925 5.307 30 20 IKED Cc1cc(/C=C2/CC(O)(C(F)(F)F)C/C(=C\c3ccc(C#N)c(C)c3)C2=O)ccc1C#N 766492332 WJWYQIFACIJZPC-CHQRTDLRSA-N 436.433 5.170 30 20 IKED Cc1cc(Br)cc2c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)coc12 770848047 RBEXCYKWKOVYDI-CYBMUJFWSA-N 449.663 5.257 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1coc(-c2ccccc2Cl)n1 776517813 SQDHQOQVCXKUHI-CQSZACIVSA-N 447.850 5.271 30 20 IKED COc1ccc2ccccc2c1-c1cc(COC(=O)CSc2ccc(C#N)cc2)on1 778115964 NWQHYRYZNZPJCJ-UHFFFAOYSA-N 430.485 5.211 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)n1 779218674 QCAFQJGPWMZGAY-GHTZIAJQSA-N 431.561 5.148 30 20 IKED N#Cc1ccc(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1C(F)(F)F 779461820 GNALXZGRPACSAW-INIZCTEOSA-N 443.475 5.669 30 20 IKED N#C[C@H](C(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1)c1nc2cc(F)ccc2s1 780358647 NPXAETAGBCVQPS-DZGCQCFKSA-N 436.537 5.138 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 780675740 UEXPSVOSNMMGNJ-HTAPYJJXSA-N 443.482 5.029 30 20 IKED N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)n1 781480452 JFIRFOKXOQROMC-GOSISDBHSA-N 443.404 5.271 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C[C@@H](C)c1c[nH]c2ccccc12 787231188 YDSNSMFFSRNPNI-IAGOWNOFSA-N 435.549 5.238 30 20 IKED COc1ccc2c(c1)CN(C(=O)Nc1ccccc1O[C@@H](C)C#N)[C@H](c1ccccc1)C2 787434191 RNCMLVNHNPTJLT-UUOWRZLLSA-N 427.504 5.318 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)/C=C/Sc1cc(F)ccc1F 797939052 AHJAZTBYXZXMNT-CFRMROPGSA-N 448.516 5.147 30 20 IKED N#CC1(CCCOC(=O)c2cc(NCc3ccccc3)nc3ccccc23)CCOCC1 800169294 SPAXGAMXLQAHSY-UHFFFAOYSA-N 429.520 5.104 30 20 IKED Cc1cc(OC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c(C)c(C)c1C#N 809033499 SRPTXDOBHHCXCP-UHFFFAOYSA-N 426.516 5.095 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H](NC(=O)c1ccc(CC#N)cc1)CC(C)(C)O2 810957381 DOBRFIXHOWSBNZ-FQEVSTJZSA-N 435.524 5.132 30 20 IKED CON(Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 812925968 JVWCQHAAJRZMBE-UHFFFAOYSA-N 435.911 5.581 30 20 IKED C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc(N3CCCCC3)cc2)no1 904610406 CLLRNHIOGGKPPS-SFHVURJKSA-N 432.952 5.435 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915085942 CVTDWGZSDPPEOH-QFIPXVFZSA-N 427.504 6.165 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 916897554 OFQRUHWCJKQGIH-RTRPANQVSA-N 440.343 5.393 30 20 IKED N#C[C@H](C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1 916900223 VXDKRWUVDZPLBK-MWWKQMNYSA-N 426.316 5.085 30 20 IKED CCCCCOc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1 916902965 MMDLIEFMNPSWCW-GOSISDBHSA-N 428.916 5.187 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cc1 916953291 BKGZVKMLQJKKJB-VFNWGFHPSA-N 434.927 5.309 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(C)nn(Cc4ccccc4)c3Cl)n2)cc1 916973464 YKEBICCFCORQMX-IBGZPJMESA-N 446.963 5.815 30 20 IKED C=CCN(Cc1ccc(OC)cc1)Cn1nc(Nc2ccc(OC)cc2)sc1=S 917485391 NBJFMSHYEQPVME-UHFFFAOYSA-N 428.583 5.081 30 20 IKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2occc2CSc2ccccc2)c1C 919034994 LJGIUUXQHBMFDX-UHFFFAOYSA-N 448.544 5.292 30 20 IKED Cc1ccc(C)c(OCCCCC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1 920324359 KRUBLKXWJMLGOZ-SFHVURJKSA-N 449.576 5.318 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C)c(Cl)c3)cc2)CCC1 1785947935 YZQKUAXMTOVDKQ-KRWDZBQOSA-N 441.959 5.197 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(OC)cc3)cc2)CCC1 1786329842 ASARIIBJLXJCIQ-GKVQRAMASA-N 432.564 5.145 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(OC)cc3)CCC2)cc1 1789451606 NQTAFIPWMJCUCY-XMMPIXPASA-N 432.564 5.140 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccnc(C(F)(F)F)c3)CCC2)cc1 1791243669 ZQBLWJXOBFFVNT-HNNXBMFYSA-N 431.458 5.060 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cccc4ncccc34)CC2)C1 1804858871 RMFHZOBSIBCMLA-UHFFFAOYSA-N 433.596 5.072 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1811907577 NBGAFIQZHOYIAF-IRLDBZIGSA-N 439.987 5.047 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(OC)c2C)[nH]n1 1819557145 ZMWMPKDKSBHHQL-FQEVSTJZSA-N 438.572 5.025 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc3ccccc3c2)[nH]n1 1821919073 PSLTVDUBCNLFSP-FDDCHVKYSA-N 430.552 5.010 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCc2cccnc2)CC1 1823755006 HGENMKWWLHDPDH-XMMPIXPASA-N 439.644 5.016 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cc(C)cs2)CC1 1825207491 BEJNAJDIFLZJOE-ZEQRLZLVSA-N 442.669 5.377 30 20 IKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)CC2)C1 1828350673 LKRQSMQYRIXNDI-HBRDYDSTSA-N 432.564 5.032 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CC3CCCC3)CC2)c1 1832633712 DMEOKPZXCUIDCF-CPJSRVTESA-N 435.612 5.127 30 20 IKED Cc1ccc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)C4(C#N)CCC4)CC3)sc2c1 1832785266 RAKPFJFGGXIFGQ-OAQYLSRUSA-N 449.620 5.137 30 20 IKED CCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2cccc(CC)c2)cc1 10174510 QASIKEDYLUWENE-UHFFFAOYSA-O 448.612 5.297 30 20 IKED C[C@@H](OC(=O)c1ccc(-c2nc3ccccc3s2)s1)C(=O)Nc1ccccc1C#N 21458605 RUZXCZVOSOVPPJ-CYBMUJFWSA-N 433.514 5.080 30 20 IKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)n1 29040266 GUFMTZFIKJSPDB-NRFANRHFSA-N 435.549 5.016 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2ccccc2)nnc1-c1ccc(Br)cc1 29412197 ZOFFRXCYDVJCQF-AWEZNQCLSA-N 428.355 5.257 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccccc2)cc1[N+](=O)[O-] 36275063 TZYLDXSFUGGMMR-UHFFFAOYSA-O 440.932 5.203 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(C)c2cccc(C#N)c2)c(OC)c1 63327258 BGMSXBXGUFKXLP-UHFFFAOYSA-N 439.515 5.319 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 71940965 ZKFBQXMUQPJFDK-UHFFFAOYSA-N 441.556 5.634 30 20 IKED C=CCn1c(SCc2csc(-c3ccccc3OC)n2)nc2sccc2c1=O 104598310 GRSMYQJFXGTTTF-UHFFFAOYSA-N 427.576 5.068 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N(Cc1cccs1)Cc1cccs1 107773007 YPVLVTXKVWJKPR-UHFFFAOYSA-N 426.563 5.078 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(Sc3ccccn3)cc2)cc1 109687353 QKNTWUAEHAFPNC-UHFFFAOYSA-N 427.451 5.309 30 20 IKED C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1nc(-c2cccc(F)c2)no1 237454632 NQJMDDNPVJGITD-QGZVFWFLSA-N 428.467 5.177 30 20 IKED N#CCCCOc1cccc(CNCC2(c3cccc(C(F)(F)F)c3)CCOCC2)c1 237919324 YUIPLDRQMRAYDG-UHFFFAOYSA-N 432.486 5.226 30 20 IKED Cc1ccsc1C(=O)Nc1ccc(Oc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)cc1 302680131 RMUZIZSRIRLZGK-UHFFFAOYSA-N 430.445 5.429 30 20 IKED C=CCn1c(SCc2csc(CCC)n2)nnc1-c1ccc(Br)cc1 302971881 RFZKYIHLHSPBGP-UHFFFAOYSA-N 435.416 5.595 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1ccc(OCc2ccccc2F)cc1)c1ccccc1 303362791 QGZMOYGGJLISPJ-UHFFFAOYSA-N 445.494 5.070 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)nnn1-c1cccc2ncccc12 303381354 WAQHACIWPIFMLJ-UHFFFAOYSA-N 446.470 5.040 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1Cl 303405871 SSJNGDVZIQNYSQ-MRXNPFEDSA-N 426.259 5.809 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3cc(F)ccc3OC[C@H]3CCCO3)c2)c1 303582083 DZMSTKQJLMABME-HSZRJFAPSA-N 446.478 5.086 30 20 IKED CC(C)c1n[nH]c(-c2ccccc2NC(=O)c2cccc(COc3cccc(C#N)c3)c2)n1 303594849 ITZZBJAHQQJOBI-UHFFFAOYSA-N 437.503 5.298 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CCOC2(CCCCC2)C1 426117747 FQXSPPABBVXYNY-QFIPXVFZSA-N 433.552 5.449 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1sc([C@@H]2CCCOC2)nc1C 428213242 ZQFXYXMQOUPZAG-GOSISDBHSA-N 433.533 5.570 30 20 IKED N#CCCn1ncc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)c1-c1ccccc1 428324602 JNGCJJMVICJANN-UHFFFAOYSA-N 439.500 5.586 30 20 IKED N#CCSc1cccc(C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c1 430696308 BDZWASFCCHBQPZ-UHFFFAOYSA-N 438.556 5.144 30 20 IKED Cc1cccc(CC2(O)CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)c1 432063153 NJIBYILWCAHWIA-UHFFFAOYSA-N 441.531 5.261 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OCC(F)(F)F)c3)n2)cc1 432454222 FCIXDPKVJAYUSI-KRWDZBQOSA-N 432.423 5.250 30 20 IKED N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3ccc(Oc4ccccc4Cl)cc3)C2)nc1 432688492 CPZRGJMSFQZBCQ-IBGZPJMESA-N 434.883 5.084 30 20 IKED CC(C)(NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cc(C(F)(F)F)on1 433134193 KEIVCDUWPSWOGI-UHFFFAOYSA-N 430.386 5.414 30 20 IKED Cc1ccc(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)cc1NC(=O)c1ccccc1F 435442089 GMIGIRKJEBRSJT-UHFFFAOYSA-N 431.467 5.298 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1ccnc(Oc2ccccc2Cl)c1)c1ccccc1 435749674 LBHVNBQSKDVFTL-FQEVSTJZSA-N 435.911 5.290 30 20 IKED Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)Nc1cccc(OCCCC#N)c1 436133782 VYPMZSIRTMQXSM-UHFFFAOYSA-N 430.291 5.892 30 20 IKED COCCCOC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 437739261 WMWIUOQKCWYQRP-QFIPXVFZSA-N 441.959 5.045 30 20 IKED CCSCC[C@@H](C)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 437966138 VQXLIIOISFSWMZ-MRXNPFEDSA-N 431.989 5.786 30 20 IKED C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C[C@H](c2ccccc2)O1 438666452 QNSNKVKJDPNEIP-BXKMTCNYSA-N 431.467 5.484 30 20 IKED CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)s1 438672089 PCVYCIXGELBNOR-HNNXBMFYSA-N 438.528 6.042 30 20 IKED N#CCC[C@@H](NC(=O)Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)c1ccccc1 439488569 ZGEAYIUTKNROPI-XMMPIXPASA-N 436.519 5.160 30 20 IKED N#Cc1ccc(NC(=O)C(=O)N[C@@H](CC2CCCCC2)c2ccccc2)cc1C(F)(F)F 441836950 LMCZTDISZNTWCW-NRFANRHFSA-N 443.469 5.343 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc(C(F)(F)F)c1F 443527276 IYKSDDQRTFTFSE-HNNXBMFYSA-N 429.398 5.638 30 20 IKED CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1cn(CCCC#N)c2ccccc12 443986673 LGQZHNCWUMBKQC-UHFFFAOYSA-N 443.526 5.179 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)N[C@@H](C)c3ccc(C#N)cc3)C2)n1 446112570 QABNIMCBUMMBNH-FXAWDEMLSA-N 446.576 5.341 30 20 IKED C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 460802459 BNCUHSKKPUSWLH-BZSNNMDCSA-N 440.554 5.332 30 20 IKED C[C@H](C(=O)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1)c1cccc(C#N)c1 462216149 ZTXHQZCQFRFOEP-INIZCTEOSA-N 432.911 5.276 30 20 IKED C[C@@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2cccc(F)c2)no1 464926105 JTFTVGPPPXDKJU-SECBINFHSA-N 447.310 5.404 30 20 IKED COc1ccc(-c2cncc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2)cc1 467074547 VPWOYPUIHZXZFX-QFIPXVFZSA-N 436.496 5.242 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 468402928 MOVMKSYBJNYEMW-UHFFFAOYSA-N 443.334 5.806 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@@H](C)C(=O)c1cccc(F)c1 468952873 KSCVGIKDPMRWQQ-GOSISDBHSA-N 430.479 5.432 30 20 IKED COC(=O)Cc1cccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 478228094 FOQHQOWMFRALFG-NRFANRHFSA-N 433.895 5.355 30 20 IKED COc1ccc([C@H](CCO)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 482986860 DCORSBFBJZUIGC-VWNXMTODSA-N 449.938 5.249 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCCCOc1ccc(C(F)(F)F)cn1 484139317 FAKHJRBORXOAIE-CQSZACIVSA-N 438.475 5.085 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CSc2ccc(F)c(F)c2)cc1 487994795 GALFXTVZVYVCCC-UHFFFAOYSA-N 426.463 5.297 30 20 IKED C=CCOc1ccccc1CN[C@@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1 492163602 XHXNTWWMSWUOPV-SANMLTNESA-N 435.589 5.097 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCCNc1cccc(Br)c1 492176660 BPIGHDGZIOZBCJ-CQSZACIVSA-N 433.375 5.077 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Nc3cc(C4CCOCC4)[nH]n3)cc2Cl)cc1 494575498 DAXHLWOCEISTET-UHFFFAOYSA-N 437.887 5.265 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](CC(C)C)c1cc(Cl)ccc1OC 497737930 ZLGLYUWGKUIBLV-NRFANRHFSA-N 434.964 5.309 30 20 IKED CC(C)CN(C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(C#N)cc1 499311641 URJFYASTLDIRJG-UHFFFAOYSA-N 442.346 6.142 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)c1 499370228 MPOZYPZHXYZQIK-IBGZPJMESA-N 427.287 5.454 30 20 IKED N#C[C@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccccc1Cl 499954805 FKMXRYLVLFJHIA-KRWDZBQOSA-N 429.701 5.016 30 20 IKED CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(-c2nc3c(Cl)cccc3[nH]2)cc1 503011130 UCFZTDSHUOZLDK-QHCPKHFHSA-N 438.915 5.083 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 503712366 GMDCSNHLQOOKFF-UHFFFAOYSA-N 447.897 5.171 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 506651637 AKVDCLBMHUAHQN-UHFFFAOYSA-N 430.464 5.067 30 20 IKED CC(C)CCOC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 510055009 KOTANHQGXYTNFQ-QHCPKHFHSA-N 439.987 6.054 30 20 IKED O=C(Cc1csc(Cc2cccc(Cl)c2)n1)Nc1cccc(C#Cc2ccccn2)c1 512250181 SRBKINOUGLXFNJ-UHFFFAOYSA-N 443.959 5.363 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)nc2ccccc21 513671740 LSHZTKCLXYZXGC-IBGZPJMESA-N 436.446 5.524 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(Cn3cccn3)cc2)cc1 513869667 OBVJVECVYKMOEL-UHFFFAOYSA-N 439.494 5.176 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccccc1F 514358389 LUQJUBSQYWJOOW-CQSZACIVSA-N 430.936 5.351 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccc(OC)cc4)n3)n2)cc1 516270360 UXQAJVONKMMHEI-GOSISDBHSA-N 447.541 5.441 30 20 IKED C[C@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 516733186 GNXQZSDLKTWDGD-QGZVFWFLSA-N 439.471 5.255 30 20 IKED C[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1nc(-c2ccccc2)cs1 518288381 JEWDGVUFRDPVHI-LJQANCHMSA-N 425.557 6.112 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H]3CCCO[C@H]3c3ccccc3)cc2)c1 520195683 HRBKJQCOLMJMTB-BWKNWUBXSA-N 427.504 5.640 30 20 IKED COCCOc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 521078239 OILFVINOFCXLLQ-UHFFFAOYSA-N 436.895 5.068 30 20 IKED CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2ccc(COc3ccccc3C#N)o2)s1 521631444 QTAUNMCQLDTSNL-IBGZPJMESA-N 444.516 5.376 30 20 IKED Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c12 521797401 PRSKMQVGOXLRNR-HNNXBMFYSA-N 428.517 5.845 30 20 IKED C[C@H](c1cccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1)N1CCOCC1 521929281 PASNIXKMOLQRBI-HXUWFJFHSA-N 441.531 5.190 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 523594300 HMPZELDSYLLQET-DLBZAZTESA-N 444.551 5.145 30 20 IKED Cc1cccc(-c2nc(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)cs2)c1 524388169 MVGJLPDTMCPWSU-UHFFFAOYSA-N 439.540 5.750 30 20 IKED COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 536323176 DBZVRTGQUOHIKZ-ZDUSSCGKSA-N 436.455 5.225 30 20 IKED C=CCN(C(=O)c1cc(C)nn1C(CC)CC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 537314379 PJQZYULKEJRPCV-UHFFFAOYSA-N 439.541 5.417 30 20 IKED COc1cc(NC(C)=O)ccc1NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542031114 ADJAFUPBARRXCE-MRXNPFEDSA-N 428.492 5.075 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC=C(c3ccccc3F)C2)cc1 543879875 DVOHDANRVBGYIB-UHFFFAOYSA-N 429.451 5.429 30 20 IKED C=CCn1c(-c2ccc3ccccc3c2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 548962903 CSFVGWOUZDSWTB-UHFFFAOYSA-N 437.547 5.139 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)C[C@H](CC#N)c1ccccc1 551698017 IDOCZRDOHXQVSJ-INIZCTEOSA-N 428.376 5.770 30 20 IKED N#CCCC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1)c1ccccc1 551829993 AUBMCFKWFSDQNX-JOCHJYFZSA-N 447.922 5.622 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1F)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 558833782 JHQRFZRIWVLBOS-ZDUSSCGKSA-N 444.278 5.454 30 20 IKED CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 567315930 KUZQUCUWOGWXGI-NYHFZMIOSA-N 436.899 5.297 30 20 IKED CCc1ccc([C@H](C#N)NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)cc1 571801152 IUTGVEIBPYNMJK-FQEVSTJZSA-N 449.580 5.079 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(N4CCCCCC4)c3)CC2)c(F)c1 574228619 ATXYGVTXQHLOFB-UHFFFAOYSA-N 436.531 5.153 30 20 IKED CSCC[C@@](C)(C#N)NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 589018240 RFRXJYWHELBLPR-FQEVSTJZSA-N 436.364 5.011 30 20 IKED CC(C)c1ccc(-c2nnc(SCC(=O)c3cn(CCC#N)c4ccccc34)o2)cc1 589277743 KFQPOPNAQWRNIV-UHFFFAOYSA-N 430.533 5.703 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1 603756508 XDMOCBITUXJVCA-SFHVURJKSA-N 429.520 5.758 30 20 IKED C[C@H](c1ccccc1)n1c(Sc2ccc([N+](=O)[O-])cc2C#N)nnc1-c1ccccc1 603869723 DSSUHQNLVBXJSX-MRXNPFEDSA-N 427.489 5.485 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 603921388 WWMOGDSATUNWKV-UHFFFAOYSA-N 444.538 5.113 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 603992642 SDSTYWQFSISNHH-UHFFFAOYSA-N 443.528 5.063 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)[nH]c12 605363586 NAVAVXWNNVDQBV-KRWDZBQOSA-N 436.393 5.568 30 20 IKED COc1ccccc1CC1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 608841769 WLBFEFQGOUBFAK-UHFFFAOYSA-N 442.519 5.241 30 20 IKED CCC[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1 609213014 QIEUJLAJNGPXRU-QFIPXVFZSA-N 445.485 5.671 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cc1 609317823 GCEUIOLRFJSWNG-LJQANCHMSA-N 436.314 5.539 30 20 IKED Cc1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)CC2 609323707 FTRXDBCNZRPJDJ-LADGPHEKSA-N 443.934 5.046 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OCC(C)C 609435027 LFQFPEVFUAIYEA-ROUUACIJSA-N 441.597 6.007 30 20 IKED Cc1c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)nnn1-c1cccc2cccnc12 609444367 RIJKGBOQGWMPJW-UHFFFAOYSA-N 446.470 5.040 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccccc3OCc3cscn3)cc2)cc1 609502941 OODKMTZLOUVDRT-UHFFFAOYSA-N 441.512 5.833 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)CC1 609508521 GLQVZSOPEATQAR-OTGCGEFBSA-N 428.454 5.187 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(Nc3ccccc3)c2)cc1 609820597 DXNFCLPHGPENKN-UHFFFAOYSA-N 433.511 6.328 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(Br)c(F)cc1Cl 610634879 XORPYMVXYTVLFW-SCLBCKFNSA-N 436.712 5.545 30 20 IKED C=CCOc1ccc(CNc2cccc(C[S@@](=O)Cc3ccccc3)c2)cc1Cl 610910822 BQHNGKMISZFFCK-LJAQVGFWSA-N 425.981 5.966 30 20 IKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)cc12 614439789 IAZGZNYSWYBLHZ-MRXNPFEDSA-N 446.919 5.739 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2cccc(F)c2)CCCCC1 619556572 UKJMCRUSYNUVIS-QLPKVWCKSA-N 439.415 6.053 30 20 IKED CCOc1ccc(NC(=O)c2ccc(NC(=O)NCc3ccc(C#N)c(Cl)c3)cc2)cc1 619786297 MYOPOKNBWSURRY-UHFFFAOYSA-N 448.910 5.184 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)cc1 630032303 GYRAHOGBUIXLSM-UHFFFAOYSA-N 441.487 5.572 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1nc(-c2ccccc2C)no1 675771579 WNSNHVUNBWCXGA-UHFFFAOYSA-N 433.537 5.002 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N2CCCc3cc(OC(F)F)ccc32)c1C(F)F 676224920 OPSOVFPZQMBGFS-UHFFFAOYSA-N 439.331 5.054 30 20 IKED N#CCOc1ccc(CNC(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)cc2)cc1 727936367 PKUWFCJEFNFNJW-UHFFFAOYSA-N 441.409 5.722 30 20 IKED O=C1/C(=C\c2cccnc2Cl)CN(C2CCCCC2)C/C1=C/c1cccnc1Cl 728697408 OZSBCRCAATTXGI-BKHHGCLFSA-N 428.363 5.468 30 20 IKED CCSc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 729064859 LSDQMTCSVFQEON-HOYKHHGWSA-N 443.572 5.270 30 20 IKED C[C@H](C#N)Oc1ccc(/C=C(/CC(=O)O)c2nc3cc(C(F)(F)F)ccc3s2)cc1 730437947 WSHXIBOFVRYHRR-UGMNDJHYSA-N 432.423 5.621 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccccc2)nc1 731073544 XOXIJPRKZFNGLE-KRWDZBQOSA-N 447.516 5.064 30 20 IKED Cn1c(CC(=NOCc2cc(Cl)c3c(c2)OCCO3)c2ccccc2)nc2ccccc21 731664277 HLRRCAWFQVGPFZ-UHFFFAOYSA-N 447.922 5.162 30 20 IKED C#CCN(Cc1csc(-c2ccoc2)n1)[C@H]1CCOc2ccc(Br)cc21 733195780 WCIQOONUNXBXCF-SFHVURJKSA-N 429.339 5.125 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)c1 733844035 YEDWYSAKIZARJP-JOCHJYFZSA-N 442.519 5.250 30 20 IKED C=CC[C@H](NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C)c1ccncc1 734360293 HYCKEMHVZFXSKV-FQEVSTJZSA-N 429.351 5.167 30 20 IKED C[C@H](OC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1nc(O)c2ccccc2n1 735165771 QPYIBQXMIKDMJR-AWEZNQCLSA-N 445.862 5.571 30 20 IKED CN(Cc1cc(Cl)ccc1OCC#N)[C@H]1CCSc2ccc(Br)cc21 735309055 DRSBUZFILXGBOL-KRWDZBQOSA-N 437.790 5.674 30 20 IKED N#C[C@H]1C(CN2CCCCC[C@@H]2c2ccc(Cl)cc2)=CC(=O)n2c1nc1ccccc12 735311428 JKZXODDEHLZEHW-RBBKRZOGSA-N 430.939 5.494 30 20 IKED Sc1nnc([C@H]2CCCCO2)n1N=Cc1ccc(-c2ccc(Br)cc2)s1 743451490 FNWRIIZVFCNQOD-OAHLLOKOSA-N 449.399 5.182 30 20 IKED CCCOc1c(Cl)cc(C=NO[C@H](C)c2nc(-c3cccs3)no2)cc1OCC 744445137 IYPXHHYOUHNEDM-CYBMUJFWSA-N 435.933 5.751 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)/C=C\c3cc(C(F)(F)F)ccc3Cl)o2)cc1 744558371 FZJGTEJJTJXHRD-YVMONPNESA-N 433.773 5.037 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC(c2cc3ccccc3[nH]2)CC1 744832599 GYTDYJHCORVTQC-UHFFFAOYSA-N 425.454 5.127 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)c2nc(-c3ccccc3)no2)cc1C 744871486 RVHPKTODZMJHAS-SFHVURJKSA-N 441.491 5.049 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1 747108053 LLYWZZOWALQGIY-INIZCTEOSA-N 443.261 5.886 30 20 IKED C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl 750684743 TXYXYPNXOJQCFI-SWLSCSKDSA-N 444.343 5.370 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3scnc3Br)cc2Cl)cc1 754166086 GSIHVZAHEHKLJZ-UHFFFAOYSA-N 434.702 5.475 30 20 IKED C#CCN(Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1)[C@H]1CCc2ccccc21 756487964 YVGYFISQTUJMOY-QHCPKHFHSA-N 435.980 5.604 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccnc2Br)cc1Cl 758175508 IOBKHXZGWGBBPD-QGZVFWFLSA-N 426.701 5.405 30 20 IKED COc1cccc(-c2nn(C(C)(C)C)cc2C=NNc2ccc(Cl)c(C(=O)O)c2)c1 759646069 CDSQALCUFPUOSD-UHFFFAOYSA-N 426.904 5.111 30 20 IKED Cc1ccc[n+](/C(C(=S)Nc2ccc(Cl)cc2Cl)=C(/O)c2ccc(C#N)cc2)c1 762444670 CQNSRBQMEXYMQI-UHFFFAOYSA-O 441.363 5.784 30 20 IKED COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 763933049 XNZWFXGDVODLSL-LOSJGSFVSA-N 441.531 5.028 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl 764303613 NJELASYABJNHGO-UHFFFAOYSA-N 433.276 5.458 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1CC(=O)O[C@H](C)c1ccc(F)c(C(F)(F)F)c1 764327358 VBTACUZYJUYUEQ-LLVKDONJSA-N 426.332 5.067 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(O)(c3ccccc3)CC2)cc1Cl 767610720 NEWSDOLTLVJVCR-HSZRJFAPSA-N 445.950 5.511 30 20 IKED C=CCN(C(=O)COC(=O)/C=C/SC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 767654760 XYHAGLKRNGNTEZ-SOFGYWHQSA-N 443.377 5.056 30 20 IKED COCCOc1c(Cl)cc(NCc2cn(CCC#N)nc2-c2ccccc2)cc1Cl 773425664 ANYKEFXXKBRPIO-UHFFFAOYSA-N 445.350 5.408 30 20 IKED CC(=O)N1C/C(=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)c2ccccc2C1 778520143 OZPJBHHPRYJIJA-GIDUJCDVSA-N 427.344 5.353 30 20 IKED C[C@H](OC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)N(C)Cc1ccccc1 779187082 SYKUZJLDEGMHRX-IBGZPJMESA-N 444.556 5.054 30 20 IKED C[C@@H](OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nnc(-c2ccc(F)cc2)o1 783623925 HCCMGUIPNOXFKL-MRXNPFEDSA-N 443.434 5.652 30 20 IKED N#CCCn1cc(/C=C/C(=O)c2cc3cc(Br)ccc3o2)c(-c2ccncc2)n1 788354127 YNLWCNJJNLCWHC-DUXPYHPUSA-N 447.292 5.264 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccccc2OCc2cn3ccccc3n2)s1 797567093 DDEVVNCRIQXYLL-SFHVURJKSA-N 430.533 5.157 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](F)c3ccc(C(F)(F)F)cc3)n2)cc1 802053494 STKKEWNBQHTSDR-AEFFLSMTSA-N 429.398 5.588 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(C)CCN(Cc4ccccc4)CC3)n2)cc1 805864236 HVAIWELXXSWAOO-QFIPXVFZSA-N 445.588 5.297 30 20 IKED N#C[C@@H](C(=O)C1(c2cccnc2)CCCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 808979560 XBXJFGJOGVWBBO-KRWDZBQOSA-N 442.371 6.200 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1cc2ccccc2o1)[n+]1cc(O)cc(-c2ccccc2)c1 811723670 JYRJSRPISPIORN-UHFFFAOYSA-O 443.548 5.470 30 20 IKED C#C[C@H](NC(=O)c1oc2ccccc2c1CSc1ncccn1)c1ccc(Cl)cc1 812351704 SACJPHUYVVISAW-IBGZPJMESA-N 433.920 5.273 30 20 IKED CCOc1ccc([C@H](O)C2CCN(C(=O)c3sc4ccc(C#N)cc4c3C)CC2)cc1 816780770 NZYNZDZJSIQSPS-QHCPKHFHSA-N 434.561 5.066 30 20 IKED Cc1c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)sc2ccc(C#N)cc12 816851602 XJFIIXWJEKZNES-KRWDZBQOSA-N 439.581 5.133 30 20 IKED CCOc1ccc(-c2nc(CC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cs2)cc1 915101990 MEYFGSIGZNJNNI-FQEVSTJZSA-N 445.569 5.751 30 20 IKED CC[C@@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2cccc(OCC#N)c2)c2cccs2)cc1 915743614 UNELLPRXPCLPIA-UZUQRXQVSA-N 447.560 5.008 30 20 IKED N#C[C@@H](C(=O)CCSc1ccc(Cl)cc1)C(=O)Nc1ccc(SC(F)F)cc1 916883480 LHCVVVVKDMUNDM-INIZCTEOSA-N 440.924 5.484 30 20 IKED CC(C)Cn1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c2ccccc21 916887934 PTUQZEYRYPCWLV-SFHVURJKSA-N 441.503 5.573 30 20 IKED COc1cccc(CO[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 916976416 NWZLRJJKDVQDCK-IFXJQAMLSA-N 426.925 5.254 30 20 IKED COc1cccc(C[C@@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 918035960 QLXYZPPCFPHEGF-AZGAKELHSA-N 425.532 5.590 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CNc4ccccc43)cc2)CCC1 1788044480 QHGNOOBRKYCGPH-HSZRJFAPSA-N 429.564 5.098 30 20 IKED Cc1cc2cccc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(C#N)cc5)CCC4)cc3)c2[nH]1 1789019289 YFWWNIPQKACXOR-UHFFFAOYSA-N 448.526 5.410 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc4ncccc4c3)CCC2)cc1 1791243987 HWYHRTLHIYEHLJ-IBGZPJMESA-N 427.548 5.124 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc(Cl)c3)cc2)CCC1 1792121599 MLZUWLWPJWZUQF-HNNXBMFYSA-N 445.922 5.028 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccncc3-c3cccc(C)c3)CCC2)cc1 1792264243 IWKFKRMMNGMKRU-UHFFFAOYSA-N 437.543 5.218 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cc(C(C)(C)C)oc3C)C2)CC1 1808373500 IZUMZHACHGDOIK-UHFFFAOYSA-N 442.644 5.723 30 20 IKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1 1812807673 PRLIXYYUQVJRFE-IFMALSPDSA-N 449.586 5.295 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2C2CC2)[C@@H]1c1cccnc1 1813752004 BAPXOTBPROHDBB-OZXSUGGESA-N 443.591 5.047 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)n[nH]1 1814372528 AOTXLBWKPFKQMD-JLTOFOAXSA-N 439.947 5.063 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3cnccc23)[nH]n1 1814443551 ZTSLQXFWTIKLSN-QFIPXVFZSA-N 445.567 5.256 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3ncccc3c2)n[nH]1 1818478717 YZKGODMEJLPEPT-NFBKMPQASA-N 443.551 5.032 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1 1824871286 RVHMIHMGTBSHHQ-FQEVSTJZSA-N 428.539 5.107 30 20 IKED CCC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)CCC1 1828478650 WKFAQDBPROWDIZ-JOCHJYFZSA-N 442.003 5.025 30 20 IKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1830542461 ZIQJZUHYDGZIAW-IBGZPJMESA-N 442.909 5.168 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccoc23)CC1 1830986954 GNMSQISSNBMKLU-HSZRJFAPSA-N 436.596 5.659 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2ccc(C)cc2C)cc1 10168658 JGIDGXWCTKGOCU-UHFFFAOYSA-O 431.625 6.130 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)Nc1ccc(F)cc1F 11248340 KESFOPRPLNNGMH-UHFFFAOYSA-O 439.551 5.791 30 20 IKED CCOc1ccc(-n2c(SC[C@H](C#N)CCC#N)nnc2-c2ccc(Cl)cc2)cc1 15246481 VCIDKDHWZRIETA-INIZCTEOSA-N 437.956 5.522 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 20056409 UKTJLUMHPNYKRQ-UHFFFAOYSA-N 448.573 5.536 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2SC)nnc1-c1ccc(Cl)cc1 21673291 YINIKQZJLGXARR-UHFFFAOYSA-N 430.986 5.237 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc3c(c2)CCCC3)s1 22730609 JXSRAVGQXGEGAE-UHFFFAOYSA-O 442.029 5.927 30 20 IKED O=C(/C(=C(\S)NCCc1ccccc1)[n+]1ccccc1)c1ccc(Cl)cc1Cl 22734830 MSNSXBZXVDIORZ-UHFFFAOYSA-O 430.380 5.052 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccccc2OCC(F)(F)F)c1 60016469 FKJKNCSQYVBVAP-UHFFFAOYSA-N 426.394 5.331 30 20 IKED CC(C)(C)c1ccc(OCc2ccc(C(=O)[C@@H](C#N)c3nnc4n3CCCCC4)cc2)cc1 60851294 WAVJAZZKOBKCMQ-HSZRJFAPSA-N 442.563 5.371 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CCSc2ccccc2Br)cc1 111019010 OSIMOTBLTKIYHE-UHFFFAOYSA-N 433.371 5.277 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc3ccccc23)nnc1-c1ccccc1F 195569400 CJRBDLADWQIVCZ-MRXNPFEDSA-N 432.524 5.543 30 20 IKED C[C@H]1CCC[C@H](OCc2cccc(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c2)C1 195729919 RHWUCZMFXKAGAB-LVXARBLLSA-N 448.611 5.249 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H]2CCN(c3ccccc3Cl)C2=O)cc1 303430009 BSSDWJZHVCNXBO-HXUWFJFHSA-N 433.895 5.230 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc(Cc2ccccc2)no1 427206509 SBBHXHHRONUOIU-SFHVURJKSA-N 438.487 5.010 30 20 IKED CCN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@@H](C)Cc1ccsc1 429131871 CYAZBWZDYKTZJA-IBGZPJMESA-N 433.577 5.878 30 20 IKED C=CCN(Cc1ccccc1)C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 431819912 FBYCQNWCZDCJBT-UHFFFAOYSA-N 439.313 5.252 30 20 IKED N#C[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2-c2nc(C3CC3)no2)C[C@H]1c1ccccc1 432980387 UTEBNHIPCOIWIF-APWZRJJASA-N 433.899 5.038 30 20 IKED C=CCN(C(=O)c1cc(C2CC2)nc2ccc(Cl)cc12)c1nc(C(=O)OCC)cs1 433415109 QHVKWQAUVGWNEW-UHFFFAOYSA-N 441.940 5.232 30 20 IKED COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1ccccc1-c1ccccc1C#N 437818549 FBOXCBCQDPOVNC-UHFFFAOYSA-N 441.531 5.101 30 20 IKED C[C@@H]1CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC[C@@H]1c1ccccc1 437883010 TWCKRMFXCHLIOI-CLOONOSVSA-N 438.531 5.468 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 438049432 PQYQJZBSFWWMGL-OAHLLOKOSA-N 433.499 6.158 30 20 IKED COc1ccc(CN(C(=O)CSc2ccccc2C#N)[C@@H](C)Cc2cccs2)cc1 439712697 ZCZLTCOOIPOXTR-SFHVURJKSA-N 436.602 5.380 30 20 IKED CCCc1c(NC(=O)c2sc(Cc3ccccc3)nc2C)cnn1-c1cccc(C#N)c1 440071825 BBFFLRJBTXFZCG-UHFFFAOYSA-N 441.560 5.305 30 20 IKED N#CCC[C@H](NC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1ccccc1 440090358 UDILEBGMRXRCMJ-FPOVZHCZSA-N 434.540 5.671 30 20 IKED C=CCC[C@@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)c1ccc(C(F)(F)F)cc1 442296268 UCJGTXQRYAFCBQ-JOCHJYFZSA-N 449.517 5.612 30 20 IKED N#Cc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1C(F)(F)F 443892681 YYMBWWBAHQOWSM-NRFANRHFSA-N 437.421 5.077 30 20 IKED Cc1cccc2nc(C3CCN(C(=O)c4ccc(COc5ccc(C#N)cc5)o4)CC3)oc12 444548054 JNGFZKRINALWOE-UHFFFAOYSA-N 441.487 5.200 30 20 IKED CSCC[C@@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1nnc2ccccn12 444684466 KBZANIAWZYQYEB-HSZRJFAPSA-N 441.604 5.013 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCC(=O)c1cc(Cl)sc1Cl 445970370 ZPZHMWUIPUZAKR-UHFFFAOYSA-N 427.309 5.141 30 20 IKED C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446629952 XAGIBBPNSLKTIQ-JTFAEATFSA-N 440.975 5.130 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1c1csc(C)n1 460567467 ORNPKNDPQLLODO-DNVCBOLYSA-N 427.549 5.240 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CC(F)(F)F)CC1 460951141 UXOGCUPHVGZERO-OAHLLOKOSA-N 426.458 5.302 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nc(C(C)(C)C)no1 466444001 PPXHAJSVFSKXQM-CYBMUJFWSA-N 439.903 5.567 30 20 IKED CC(=O)Nc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1C 468006895 VRZOQFJLQXOZLQ-UHFFFAOYSA-N 433.895 5.310 30 20 IKED CC(C)[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(F)cc1F 470550150 VAGZTLLUXHZDCA-QHCPKHFHSA-N 440.494 5.067 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1nnc(C2CCCC2)o1 471700539 BSUAFIVIOXEFAH-UHFFFAOYSA-N 430.508 5.058 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cn1c(C)nc2cc(F)c(F)cc21 475938736 LVAKZRBOKVNDNU-UHFFFAOYSA-N 448.448 5.176 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 476141559 JDHACBVNBXCBSE-UHFFFAOYSA-N 438.471 6.196 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 476785005 AQNHXLHOCFZETJ-UHFFFAOYSA-N 441.578 5.048 30 20 IKED CCc1c(NC(=O)c2ccc(C(C)(C)C#N)cc2)cnn1-c1cccc(C(F)(F)F)c1 477013927 UTGUIZCGMDTYDS-UHFFFAOYSA-N 426.442 5.507 30 20 IKED C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 480363369 XWTPZWZNEOSZAI-CCKFTAQKSA-N 435.877 6.190 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 480574772 BIURIDYVCOPGRL-LJAQVGFWSA-N 445.009 5.929 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H]3Cc3ccc(F)cc3)cc2F)c1 481747784 XCUZYBWNVIXDDP-QHCPKHFHSA-N 447.485 5.654 30 20 IKED C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 482259155 OUIUZIAJEOZIHL-KRWDZBQOSA-N 442.523 5.208 30 20 IKED C=C[C@@H](CC(=O)Nc1c(Br)cc(F)cc1Br)c1ccccc1 484182071 VEWUBZCJIHQCGK-NSHDSACASA-N 427.111 5.649 30 20 IKED O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1cc(F)cc(C(F)(F)F)c1 484865446 SMLMIPOFVKGRNA-UHFFFAOYSA-N 435.274 5.440 30 20 IKED CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1 486755244 OSZJFTSPRYJWFF-KSSFIOAISA-N 425.941 5.720 30 20 IKED Cc1ncsc1-c1nc2ccccc2n1CC(=O)N[C@H](CCCC#N)c1ccccc1 487501973 MOGNFMRDLFMCSH-LJQANCHMSA-N 429.549 5.020 30 20 IKED COc1ccc(CSc2nc(C(F)(F)F)ccc2C#N)c(Br)c1OC 488763910 KTDBHNLLEOQBKE-UHFFFAOYSA-N 433.249 5.044 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3C(F)(F)F)o2)cc1 489765136 WPTJIVOZKKRJBJ-CYBMUJFWSA-N 449.454 5.440 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1cn(-c2ccc(F)cc2)nc1-c1ccc(C)cc1 494302259 XNCVFMRIWKVJNL-UHFFFAOYSA-N 426.451 5.119 30 20 IKED C[C@H]1CCCC[C@@H]1OCC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 497783914 GSWNWUNQQPFYJJ-UGSOOPFHSA-N 437.487 5.158 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)cc1 498199106 CZCALMJTOSMCQC-UHFFFAOYSA-N 449.919 5.087 30 20 IKED CN(C(=O)c1cccc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c1)c1ccccc1 501176969 UIQWYKSYBCJARX-UHFFFAOYSA-N 438.512 5.211 30 20 IKED COCCOc1cccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 503173046 QTCVQWNTOJKESL-QHCPKHFHSA-N 449.938 5.342 30 20 IKED O=C(CC1(C(F)(F)F)CC1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 505130271 TULPYMSHZWFBDH-CYBMUJFWSA-N 449.313 5.357 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2/C=C\c2ccccc2)cc1 506955666 UVRYCRRSOWWICC-LGQLLILUSA-N 437.543 6.041 30 20 IKED CC(C)Oc1ccc(NC(=O)c2ccc(Br)cc2Br)cc1C#N 508100474 GOUCTIBDNPRPBK-UHFFFAOYSA-N 438.119 5.123 30 20 IKED COc1ccc([C@H](C)N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 508275494 PPILVPRSODVUKK-KRWDZBQOSA-N 431.492 5.593 30 20 IKED C[C@H](c1ccccc1Cl)N(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510238738 HGPXGTSVNPYLFA-CYBMUJFWSA-N 443.985 5.580 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CCOc4c(Cl)cccc43)c2)cc1 510610089 UWEULPAMJSFUHR-HSZRJFAPSA-N 447.922 5.630 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1 510682965 OYRBLTPLZPSQPZ-ZEQRLZLVSA-N 431.467 5.531 30 20 IKED CCN(Cc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1)C1CC1 510854958 SWLOOANFPBGQAU-UHFFFAOYSA-N 425.532 5.374 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3ccc(Oc4ccncc4)c(Cl)c3)CC2)cc1 510877009 JPPYXMCLMQVBKS-UHFFFAOYSA-N 433.895 5.083 30 20 IKED C=C(C)CN1CCC(NC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)CC1 512540764 YRCZMLUEAMTWRG-UHFFFAOYSA-N 434.462 5.055 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)n1 513653949 ICGFIBBBFKLZMU-MRXNPFEDSA-N 433.385 6.541 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)c1 518381954 KXRLZSQOQONMBY-UHFFFAOYSA-N 433.489 5.723 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 520153696 SVFNQJREUHLLLI-LJQANCHMSA-N 432.593 5.919 30 20 IKED C[C@H](Oc1ccc2ccccc2c1)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C 520291088 PFHSVFQWQYEFDH-IBGZPJMESA-N 435.531 5.274 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccccc1 521310805 RLJWAVCGEARDJZ-UHFFFAOYSA-N 438.487 5.016 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC1(c2ccc(Br)cc2)CCC1 521812201 KBDIKHAPQKDXPQ-OAHLLOKOSA-N 444.398 6.044 30 20 IKED Cc1csc(Nc2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)cc2)n1 521920182 KZCRWBYDBZVIGI-UHFFFAOYSA-N 430.489 5.491 30 20 IKED CC(C)(C)OC(=O)C1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 522270084 WNFHHRMCEVAUAX-UHFFFAOYSA-N 436.577 5.044 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccccc2O[C@H](C)c2ccccc2)cc1 522454051 XBRXIUPLHVHFED-GOSISDBHSA-N 430.508 5.778 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1C 523534232 VRXGJDLLVBNBLJ-UHFFFAOYSA-N 447.498 5.064 30 20 IKED Cc1cccc([C@H](C)NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1C 523753526 HCMDTPLAAGBDGS-IBGZPJMESA-N 443.572 5.397 30 20 IKED Cn1ccc2c(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cccc21 524628031 NJQJRDSFTHYRCR-INIZCTEOSA-N 426.328 6.099 30 20 IKED CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)N(C[C@@H](C)C#N)C2CC2)ccc1Cl 532811372 BLLJQIFQRKVGRP-KRWDZBQOSA-N 438.959 5.158 30 20 IKED Cc1cc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)ccc1NC(=O)c1cccs1 535389037 FKYAXGKMMYFKGK-SFHVURJKSA-N 444.343 5.610 30 20 IKED C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc(-n2cncn2)cc1Cl 541135177 JHEFQYICBDPSFE-MSOLQXFVSA-N 427.939 5.871 30 20 IKED CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 542053268 KBGCSRAJBOMCNH-UHFFFAOYSA-N 441.900 5.060 30 20 IKED O=C(CC[C@@H]1CCCO1)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 543084882 LPFKNBQXUIHHMH-JSGCOSHPSA-N 437.302 5.403 30 20 IKED CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccc(C#N)c(C(F)(F)F)c2)c1 543862373 PQIKJOYHSVBDAW-CQSZACIVSA-N 449.498 5.178 30 20 IKED O=C(Nc1ccccc1CC(F)(F)F)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 549212633 FACNNTHOXLBFGN-SFHVURJKSA-N 434.355 5.913 30 20 IKED N#C[C@H](NC(=O)c1ccc(OCc2ccncc2)cc1)c1ccc(OCc2ccccc2)cc1 552163183 ZKHRBZPXYXWWOI-MHZLTWQESA-N 449.510 5.234 30 20 IKED CCN(CCC1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1)CC(C)C 553010966 HDYNOHWVLJCMDP-FQEVSTJZSA-N 430.662 5.693 30 20 IKED COc1ccc(C[C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC 553024328 OQCDGPUUUASTAO-GOSISDBHSA-N 445.519 5.429 30 20 IKED CC(C)c1cc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c2cnn(C(C)C)c2n1 553520423 OUFPURPKOAASJQ-SFHVURJKSA-N 430.339 5.437 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc2c(c1)nc(Cc1cccs1)n2C 553896521 ZKQUOOYUYYECPP-UHFFFAOYSA-N 447.608 5.222 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCOc3ccc(C)cc3C2)cc1 554424204 ZBGOQIVWGRUNJU-UHFFFAOYSA-N 429.476 5.094 30 20 IKED C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 555261580 WIBDIEITHPUQQH-GOSISDBHSA-N 435.597 5.248 30 20 IKED Cc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1-c1ccncc1 557464133 WONBURXNBHYIFA-UHFFFAOYSA-N 435.552 6.473 30 20 IKED C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H]1c1ccc(COC)o1 558453320 YBBYYOFDQMDGOF-CTNGQTDRSA-N 436.556 5.302 30 20 IKED N#Cc1cc(Oc2ccc(NCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2)ccn1 581044072 OEGFBHBNTPUWJS-UHFFFAOYSA-N 446.816 5.468 30 20 IKED C=CCn1c(-c2ccccc2OC)nnc1N1CCC[C@H]1c1ccc(Br)s1 581160949 UICJJZQSIJFIGW-HNNXBMFYSA-N 445.386 5.305 30 20 IKED N#Cc1ccc(NC2CC2)c(NC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)c1 581900416 XBNGPUVWNJEHSL-UHFFFAOYSA-N 443.290 5.259 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC(c2c(Cl)cccc2Cl)CC1 582877968 ZJEFTRSZKZPEPZ-UHFFFAOYSA-N 444.362 5.380 30 20 IKED COc1ccc2c(c1)C1(CC1)CN(C(=O)Nc1ccc(Oc3ccccc3C#N)cc1)C2 589326031 DWKTTXUUOZRNHP-UHFFFAOYSA-N 425.488 5.438 30 20 IKED C=C(C)COc1cccc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)c1 589384071 LIIFGWQCYMRMHQ-UHFFFAOYSA-N 431.517 5.722 30 20 IKED CCc1ccc([C@@H](C#N)N(C)C(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1 589829317 WANSFMKOPSHHGU-JOCHJYFZSA-N 427.508 5.171 30 20 IKED N#Cc1ccc(N2CCC3(CC2)Nc2ccccc2C(=O)N3c2cccc(Cl)c2)cc1 602761638 WDDUWBPBBIMXES-UHFFFAOYSA-N 428.923 5.281 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 604215491 ZMOBJFWNSDZVEM-UHFFFAOYSA-N 447.922 5.381 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)cn2)c1 604517476 WDQVDAOWHNWACT-UHFFFAOYSA-N 443.444 5.030 30 20 IKED Cc1[nH]c2ccccc2c1CCNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 608891970 VPHUZYHQYWKTQX-UHFFFAOYSA-N 438.531 5.486 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3OCc3ccncc3)cc2)c1 609073488 JLPRSSRHDCEHLI-UHFFFAOYSA-N 435.483 5.364 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(C(F)(F)F)nc2O)cc1Cl 609163830 AMTRHGTXLDFLRH-MRXNPFEDSA-N 431.801 5.367 30 20 IKED CC(C)(C)c1noc2ncc(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)cc12 609174691 UQTOWISHWBFVNU-QFIPXVFZSA-N 440.503 5.094 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NC3CCN(CCc4ccccc4)CC3)c2)cc1 609209115 YJSOBEWICLQPPI-UHFFFAOYSA-N 440.547 5.179 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(Oc4ccc(F)cc4F)CC3)cc2)c1 609433862 OKOYMSOOTQXLKY-UHFFFAOYSA-N 449.457 5.704 30 20 IKED C=CCN(C(=O)Cc1c[nH]c2c(CC)cccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 609452566 YVKWANBTXSDBPH-UHFFFAOYSA-N 446.532 5.524 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](CO)c2c(F)cccc2F)cc1Cl 609682370 NWVMZMQAYWTLND-UWJYYQICSA-N 441.865 5.129 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(Br)sc1Br 609722837 APZDQDWOLLRTTR-UHFFFAOYSA-N 442.176 5.196 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCCO[C@H](c3ccccc3)C2)c1 609723931 NQBYCTZVIOHLRS-DEOSSOPVSA-N 432.907 5.608 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)N(C)Cc2cccc(C#N)c2)c1C 609810889 UGSPJZRETWGNQZ-UHFFFAOYSA-N 428.323 5.332 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C 609826973 QYZDTGUUAGHVDI-XUZZJYLKSA-N 435.568 5.409 30 20 IKED CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 610987291 QFHJWUYPNSTHRY-RPBOFIJWSA-N 447.579 5.190 30 20 IKED C[C@@H](NC(=O)N[C@@H](Cc1nccn1C)c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 611846872 AYNLYOMZLGPXMF-IBVKSMDESA-N 449.558 5.303 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC[C@@H]1c1ccc(F)cc1 612804431 KOTSIQMWWKKDTF-BFJAYTPKSA-N 426.376 5.582 30 20 IKED N#C[C@@H](C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1nc(-c2ccccc2)cs1 613391824 CYUVLQYUXRHKSM-KRWDZBQOSA-N 446.482 5.253 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ccc(F)cc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 613403821 GATNRBVOGTZEDZ-ZDUSSCGKSA-N 447.438 6.068 30 20 IKED Cc1ccc(-c2nc(Cc3noc([C@@H]4CCCN4c4ccc(C#N)cc4)n3)cs2)cc1 615131508 OTSSQLFXFSXMSP-NRFANRHFSA-N 427.533 5.306 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Oc4ccc(F)cc4)cc3)n2)cc1 619756498 GJUDGXSXETYQOM-QFIPXVFZSA-N 439.471 6.103 30 20 IKED N#Cc1ccc(CNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)cc1Cl 619763923 FBFUBGLFJQSCMN-UHFFFAOYSA-N 444.844 5.224 30 20 IKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cc(-c3ccccc3)nc21 642282320 CWDBOZKKTVDILW-GOSISDBHSA-N 449.436 5.583 30 20 IKED C=CCn1c(S[C@H](C)c2nc(O)c3c(-c4ccccc4)csc3n2)nnc1C1CC1 645075554 OBWQFSOYCAKVLX-CYBMUJFWSA-N 435.578 5.572 30 20 IKED Cc1nc2c(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cccc2o1 672580886 QFCVGYWWMNWXNL-CQSZACIVSA-N 428.300 6.057 30 20 IKED CC(C)COC(=O)N1CCC(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1 726322731 WTWCDZQRFQHXBB-GOSISDBHSA-N 445.972 5.144 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OC(C)C)cc2)[n+]2ccc(C)cc2)c1 726572603 DGOCWEMIBWLANO-UHFFFAOYSA-O 429.565 5.374 30 20 IKED Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1cnc(-c2ccccc2)s1 727257332 YYLUXDJUOMYYPI-UHFFFAOYSA-N 432.361 5.546 30 20 IKED Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NCc5ccc(OCC#N)cc5)(C4)C2)C3)cc1C 727677923 YNYPVKKLPTZMRP-CLOGCQCWSA-N 428.576 5.360 30 20 IKED CCN(C(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 729338939 RISPSUKGWPMSRH-XXBNENTESA-N 435.568 5.514 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(C3CCC3)C2=O)c1 730461032 KGAMRTGXYMHUSK-HXUWFJFHSA-N 441.984 5.470 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2c(F)cccc2s1 731060682 JEGOZZZTJWVEIO-CYBMUJFWSA-N 428.510 5.230 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 731061224 UUPYCCWOHOBHCV-UHIXXWHTSA-N 440.609 5.417 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccccc2)cc1 731064507 XXYRBPBDUOTJOC-SFHVURJKSA-N 430.529 5.543 30 20 IKED CC(C)CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc2ccccc2c1 731312881 QOCUIYUQZAYDKE-QFIPXVFZSA-N 447.560 5.162 30 20 IKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nnn1-c1cccc2cccnc12 731453623 FMNZUIHZROIYKS-QHCPKHFHSA-N 444.498 5.032 30 20 IKED N#Cc1ccc([C@H](OC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)C(N)=O)cc1 734572924 GMGOUQJXQNPBNO-HNNXBMFYSA-N 439.707 5.117 30 20 IKED Cc1ccccc1COc1c(C)cc(CN(C)C(=O)Nc2cccc(OCC#N)c2)cc1C 734646121 MKJDRMDERFCFRN-UHFFFAOYSA-N 443.547 5.757 30 20 IKED C=CC[C@H](NC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1)c1ccncc1 734683594 NULLYYOYLIXGDQ-QHCPKHFHSA-N 441.535 5.111 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(OC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 742098890 GUVABLCBOPGKAE-UHFFFAOYSA-N 431.448 5.312 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/C(=O)c3ccsc3S[C@H]2C)cs1 742435992 CZKSXVGZKNVDAV-DTQASYIRSA-N 430.551 5.789 30 20 IKED CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 743093366 SLHMMSLXSSNVHF-KCWPFWIISA-N 438.575 5.328 30 20 IKED N#CCSc1ccccc1NC(=O)COC(=O)c1ccccc1Sc1ccccc1 745407058 IIFMZHPZGWUMLK-UHFFFAOYSA-N 434.542 5.249 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3CSC3=NCCS3)cc2)cc1 747368372 AWFWIUYXYXQFQX-UHFFFAOYSA-N 445.569 5.939 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 748538313 BLJVMKZWYOPNMT-MVCQKVDPSA-N 443.613 5.445 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)ccc1OC 751094179 JZFUQZVPYMPACS-FYYLOGMGSA-N 433.552 5.128 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 758072032 PRFKSIFAZMUZSC-XMMPIXPASA-N 439.918 5.472 30 20 IKED N#CCCn1cc(C(=O)COC(=O)c2cncc(-c3ccc(Cl)cc3)c2)c2ccccc21 758110392 KVUZVHUKSBZLRC-UHFFFAOYSA-N 443.890 5.310 30 20 IKED Cc1c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cnc(Cl)c1Br 759283299 OSTFJUZLJRJCFZ-UHFFFAOYSA-N 443.688 5.117 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)N[C@H](c3ccccc3)c3cc4ccccc4o3)CCO2)c1 761655353 BQKJXTKPZWPSTK-CLJLJLNGSA-N 437.499 5.177 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(C)Cc2ccc(Cl)c(F)c2)c1=S 762502612 NBEPTBJBWUUZLG-UHFFFAOYSA-N 432.952 5.158 30 20 IKED Cc1ccc(C(=O)CCCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 766273952 FMEOGXIBCAGHAF-MRXNPFEDSA-N 430.451 5.853 30 20 IKED Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CNCc1ccc(OCC#N)cc1 766464543 NQROZWDGABOMEG-UHFFFAOYSA-N 442.494 5.304 30 20 IKED O=C1/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)CCc2nc(O)ccc21 769616441 YAUVXRBOMZQRRV-ATVHPVEESA-N 436.305 5.341 30 20 IKED Cc1nn(CC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1-c1ccccc1 774068385 IOSYFBWQIHLTHQ-MRXNPFEDSA-N 434.471 5.137 30 20 IKED CCN(C[C@@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1)CC(F)(F)F 775489150 SKKACVIZSOOTQX-PGRDOPGGSA-N 444.501 5.080 30 20 IKED O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)n1ccc(=NCC(F)(F)F)cc1 775493829 PCUKRBNKXYHXCP-OWOJBTEDSA-N 442.281 5.342 30 20 IKED CC[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)[C@H](O)c1ccccc1 775598503 FVVHRMJXDXHSQJ-ILBGXUMGSA-N 429.520 5.079 30 20 IKED CC(=O)N(c1nc(COC(=O)c2ccc(C3(C#N)CC3)cc2)cs1)c1ccc(C)cc1C 777171877 HFHXLBHTSNXNFY-UHFFFAOYSA-N 445.544 5.357 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H](c2cccnc2)c2cc3ccccc3o2)ccc1OC 779412304 LYUFSJXXYXLSPY-LVXARBLLSA-N 427.504 5.397 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)cc1 782580813 ACJYVRXQYMZBLD-GOSISDBHSA-N 441.409 5.192 30 20 IKED C[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)C(=O)Nc1ccccc1Cc1ccccc1 795979690 DFUGOIMZZRLJGN-REWPJTCUSA-N 426.516 5.235 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccn(C2CCCCC2)n1 796635186 XUEHGKYCFVGYEW-HXUWFJFHSA-N 428.492 5.142 30 20 IKED CC(=O)N(c1ccc(NCc2cccc(OCc3ccccc3C#N)c2)cc1)[C@@H]1C[C@@H]1C 815164412 QQLGWFXLZCIPLQ-UZTOHYMASA-N 425.532 5.511 30 20 IKED C[C@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)C(=O)NC1(C#N)CCCCC1 819924508 ILWZOFBNNLYZPS-LBPRGKRZSA-N 439.031 5.140 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Oc4ccccn4)cc3)n2)cc1 915099867 DLIOEMUAZUMRSW-OAQYLSRUSA-N 441.512 5.561 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102740 FYAVWJWKANKECE-SJKOYZFVSA-N 442.327 5.632 30 20 IKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C2CC2)c1 916205004 CNOBVPBHVFTHAH-LJQANCHMSA-N 427.957 5.080 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(C2CC2)C1=O)Nc1cccc2ccccc12 916205205 IMGMAWKYDGCFJD-NRFANRHFSA-N 433.508 5.102 30 20 IKED N#C[C@H](C(=O)NCc1ccccc1)C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 916887764 YNPUMKDHOKWESU-NRFANRHFSA-N 438.405 5.137 30 20 IKED CCOC(=O)Nc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916904582 GMULOWYQXAQVIS-HXUWFJFHSA-N 443.459 5.008 30 20 IKED Cc1cccc(C)c1OCCC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916912432 ZFUYOMUIQRFKLA-OAQYLSRUSA-N 428.488 5.212 30 20 IKED Cc1nc(-c2cccs2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916928116 UJGGCMZQVQHPTK-NSHDSACASA-N 436.345 5.448 30 20 IKED Cc1cc(C)n(N=Cc2c(Cl)cccc2OCc2ccccc2Cl)c(=O)c1C#N 917541513 ICGXMZXRTALNQF-UHFFFAOYSA-N 426.303 5.105 30 20 IKED Cc1ccc(-c2nc(C=Nn3c(C)nc4scc(-c5ccccc5)c4c3=O)cs2)cc1 918709373 GQPROOINZQIDOE-UHFFFAOYSA-N 442.569 5.748 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3SC(F)(F)F)n2)cc1 920142029 JPNPUEISHXVSGE-OAHLLOKOSA-N 434.464 5.921 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)CSc3ccccc3)cc2)CCC1)C(F)(F)F 1787774948 WNKWKPBWISYWAY-UHFFFAOYSA-N 434.483 5.031 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cnccc34)cc2)CCC1 1789391196 NLPYJQLJYKEJNJ-HXUWFJFHSA-N 428.536 5.079 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)[nH]3)cc2)CCC1 1789674889 NMGFDMRVEIWIHY-SFHVURJKSA-N 445.485 5.550 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2)CCC1 1790278733 CFFLPDXMVVOSCH-DEOSSOPVSA-N 448.563 5.220 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1cccc(F)c1 1796497839 CKVUAHPGVBHZFB-KOUNCHBCSA-N 449.570 5.132 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C)c(C)c2)[C@H]1c1cccnc1 1810505395 SUWLXGMSTVSHMN-RPWUZVMVSA-N 433.596 5.010 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2ccc(C)cc2)[C@@H]1c1cccnc1 1812745070 PLOOOQTVEBCWIP-RSXGOPAZSA-N 447.623 5.021 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3occc3c1)CC2 1820097542 CPYGBWMOBPXASY-QGZVFWFLSA-N 437.565 5.108 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2scnc2C2CC2)CC1 1823750245 FKBCVVCQUQESMH-FQEVSTJZSA-N 443.657 5.246 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccccc23)CC1 1828010707 AIPNRCJISFVGOP-HSZRJFAPSA-N 440.534 5.285 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4occ(Cl)c4c3)CC2)C1 1829699024 UKAGYORPUZSJJZ-QFIPXVFZSA-N 440.971 5.286 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)C)cc2F)CC1 1831374346 OMUKDQOSOCVZBA-DVECYGJZSA-N 444.591 5.058 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc(Cl)c2)CC1 1832627917 MCJYLZUDXPPEKO-XZOQPEGZSA-N 446.994 5.481 30 20 IKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1832828147 QDERWHDPMKJBBE-SANMLTNESA-N 444.575 5.126 30 20 IKED N#Cc1ccsc1NC(=O)COC(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1 9054336 SYPPHXFHPQQBDD-YBFXNURJSA-N 440.883 5.135 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccccc2OC)cc1 10118160 SPHBNBKDHVMMJB-UHFFFAOYSA-O 425.961 5.249 30 20 IKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2cccc(C)c2)c(Cl)c1 10178756 RBBFYDCMVXVHJX-UHFFFAOYSA-O 445.942 5.882 30 20 IKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2ccccc2)cc1 10836935 AFQYAVNBEZGNCH-UHFFFAOYSA-O 444.407 6.455 30 20 IKED C[C@H](OC(=O)c1ccccc1Sc1ccccc1C#N)c1nnc(-c2cccs2)o1 17531163 JJFHHVPHZTWFSB-AWEZNQCLSA-N 433.514 5.739 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)cc1 25838016 QGUZMFQQUPJIPK-UHFFFAOYSA-N 443.597 6.521 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCc1csc(-c2cccc(OC)c2)n1 32785305 KIWWMVJTZHIFRB-UHFFFAOYSA-N 434.590 5.479 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CSCc3cc(-c4cccs4)on3)cc2)cc1 61198342 GMQKEYCAIMMIMU-UHFFFAOYSA-N 447.541 5.939 30 20 IKED CCCCn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nc2ccccc2c1=O 61422188 OKJLDTFRGNWBAF-UHFFFAOYSA-N 444.560 5.040 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1 63417248 KUEOHYWKYHWKTB-NLFFAJNJSA-N 447.579 5.031 30 20 IKED COc1ccccc1Oc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1 108057294 MIVMMRPXJCEHBR-UHFFFAOYSA-N 440.455 5.783 30 20 IKED N#C[C@@H](C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)c1nc2ccccc2n1C(F)F 430519690 LITLGDFNXCTKCM-LBPRGKRZSA-N 446.244 5.414 30 20 IKED N#CCCC[C@@H](NC(=O)NCC1(c2cccc(Cl)c2)CCOCC1)c1ccccc1 431847817 XCIABSXSRXYCOH-JOCHJYFZSA-N 425.960 5.123 30 20 IKED Cc1cnc(C2CCN(C(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CC2)s1 433408181 DVHSFFPWKKPSGV-SFHVURJKSA-N 430.577 5.640 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(CCc1ccccn1)Cc1ccncc1 436354742 WLVCWGCNJMWLOZ-IBGZPJMESA-N 431.565 5.005 30 20 IKED C[C@@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](CCC#N)c2ccccc2)cc1 439426000 VAYXCSSSSUVQFV-DVECYGJZSA-N 443.572 5.640 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccc(CS(C)(=O)=O)cc1)c1ccc(C(F)(F)F)cc1 442206326 FFJFCSONUSHXRS-LJQANCHMSA-N 440.487 5.079 30 20 IKED N#C[C@@H](C(=O)c1cccc(-c2noc(C3CC3)n2)c1)c1nc(-c2ccc(Cl)cc2)cs1 442694962 UONXFBCQICLYPL-SFHVURJKSA-N 446.919 5.881 30 20 IKED O=S(=O)(Nc1ccc(F)cc1OCCC(F)(F)F)c1ccc(CC(F)(F)F)cc1 443533824 XFQKYJOKZUQDDC-UHFFFAOYSA-N 445.356 5.063 30 20 IKED C=CC[C@H]1N(C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)CCCC1(C)C 444901225 KGVRLDWOEKERGT-JOCHJYFZSA-N 432.630 5.533 30 20 IKED C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCCC[C@H](COC)C1 460396255 XMSNANGRKXEZTJ-IBGZPJMESA-N 437.613 5.206 30 20 IKED C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H]1c1cccc(C)c1C 460933363 PDNBTHZSWQXNDX-JOCHJYFZSA-N 440.551 5.128 30 20 IKED Cc1nc(C(F)(F)F)sc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 461946484 GCHUKFZCISFPLD-UHFFFAOYSA-N 431.439 5.368 30 20 IKED Cc1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C2CC2)n1 467190755 LGQBAUGHOPDESN-AWEZNQCLSA-N 429.332 5.583 30 20 IKED CC(C)(C)[C@@H]1CN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)c2ccccc21 470311224 ZMEQWSFVCNSYOX-OAQYLSRUSA-N 443.507 5.162 30 20 IKED N#CCC[C@H](NC(=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1)c1ccccc1 474018577 UNXBOVCSJAVYKJ-PMACEKPBSA-N 433.499 5.550 30 20 IKED CCc1nc2c(s1)[C@H](N(C)C(=O)Nc1ncc(Cc3ccc(C#N)cc3)s1)CCC2 477401390 QMUPUHDYRFLJMZ-GOSISDBHSA-N 437.594 5.166 30 20 IKED CCO[C@H]1C[C@H](N(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C12CCC2 478599303 PXBQUUPGOVMOAF-ZEQRLZLVSA-N 433.552 5.143 30 20 IKED N#CC1(NC(=O)c2ccc(CSc3ccccc3)cc2)CCN(Cc2ccccc2)CC1 479346756 PWEIXAMTRMPCDA-UHFFFAOYSA-N 441.600 5.267 30 20 IKED Cc1cc(Br)cc(Cl)c1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 480825961 DLMONZJKNICDCB-AWEZNQCLSA-N 431.639 5.424 30 20 IKED C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Br 485397610 XCILYJFBFHRWSP-LLVKDONJSA-N 445.791 5.155 30 20 IKED C=CCSc1ccccc1NC(=O)CNc1ccc(C(=O)NC(C)(C)CC)c(Cl)c1 486140503 AAMJTZPSCVFOOV-UHFFFAOYSA-N 446.016 5.587 30 20 IKED COc1ccccc1SCC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 486328597 TXQRPXAFNYHTPE-UHFFFAOYSA-N 426.485 5.451 30 20 IKED N#CCCN(C(=O)c1cccc(-n2nccc2C(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2 486555889 BLDJELVEJOQRCG-UHFFFAOYSA-N 442.485 5.216 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N[C@@H]3CCCC(F)(F)C3)s2)c(C(F)(F)F)c1 496364965 SKGNPWBKKHDNAL-CYBMUJFWSA-N 444.429 5.324 30 20 IKED N#C[C@H](C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1nc(-c2ccccc2)cs1 497862222 YUDIJYCZKYHDKK-HXUWFJFHSA-N 436.558 5.016 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3cccc(C(=O)N(C)C)c3)n2)o1 504492236 CXIDYSBBFAEGJH-UHFFFAOYSA-N 445.466 5.535 30 20 IKED O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 507160970 IIQSLHGGKRWEOS-UHFFFAOYSA-N 446.322 5.491 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC2(CC1)OCCc1ccsc12 508815544 BQNYGJWQNQRGCD-UHFFFAOYSA-N 444.963 5.054 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@H](c2nccs2)C1 508840836 NHWBAQBYXAOYGG-NQIIRXRSSA-N 445.592 5.598 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 510507663 JGMVIGXIFYNTMC-OAQYLSRUSA-N 432.549 5.371 30 20 IKED Cc1c(C#N)c(NC(=O)CN(Cc2cccnc2)Cc2ccco2)n(C2CCCCC2)c1C 511215897 OZPFJEXWKFJXMX-UHFFFAOYSA-N 445.567 5.111 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1 511362504 LDXUVDXLPRWKAQ-RUZDIDTESA-N 445.494 5.076 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccccc1OCc1cscn1 511565777 UQHQWMTWLXZSHO-UHFFFAOYSA-N 441.512 5.947 30 20 IKED N#C[C@H](C(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc(C(F)(F)F)cn1 513203133 YGHCHTIIWVJGQK-FQEVSTJZSA-N 446.432 5.502 30 20 IKED CCCN(Cc1ccc(C)cc1)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 516746751 NYVOCDNXFQHWTE-UHFFFAOYSA-N 427.504 5.036 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc1 517470256 DYCDDDRFWRONCH-RUZDIDTESA-N 442.563 5.741 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC1CCN(Cc2cccs2)CC1 517532859 PKMZRJIFTXOTTB-KRWDZBQOSA-N 428.627 5.176 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)COc1ccccc1C(F)(F)F 520195547 CLTCPHRXBXSVNV-CABCVRRESA-N 437.487 5.689 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccccc2OC[C@H]2CCCCO2)cc1 521238019 MCNZOFDLHHULRK-HXUWFJFHSA-N 446.478 5.690 30 20 IKED Cc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1Oc1ccncc1 522306933 UBVROEHGDMRJRR-UHFFFAOYSA-N 426.501 5.354 30 20 IKED Cc1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)n(-c2ccccn2)n1 523956713 AADIRTTXWGKPIT-UHFFFAOYSA-N 429.867 5.145 30 20 IKED Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1 532512846 YLNQUSMPAIOQMN-XUZZJYLKSA-N 430.939 6.068 30 20 IKED CC(C)C(=O)Nc1cccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 541066150 YTUXGAHNMUTEAH-SFHVURJKSA-N 426.520 5.702 30 20 IKED N#CCCn1ccc(NC(=O)c2cc(C(F)(F)F)ccc2Sc2cccc(F)c2)n1 541621874 IUSLVXKZEIJTBO-UHFFFAOYSA-N 434.418 5.358 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@H](C)c2nc(C(C)(C)C)cs2)n(C2CCCC2)c1C 541653049 SPOIXXVYEVUGBT-OAHLLOKOSA-N 427.618 5.135 30 20 IKED FC(F)(F)c1cc([C@H](NCc2noc(C3CC3)n2)C(F)(F)F)cc(C(F)(F)F)c1 543053333 XNRRZFKBEXKGEI-LBPRGKRZSA-N 433.274 5.378 30 20 IKED CCC1(CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)CCCCC1 546558912 LSBNHIBEBHADBX-UHFFFAOYSA-N 441.519 5.126 30 20 IKED C[C@H]1CCCCN1CCC1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 562108888 MTJIMIFRNPLSCQ-FQEVSTJZSA-N 447.583 5.254 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1 564011391 UPCUYPFSINRNGO-IBGZPJMESA-N 448.375 5.205 30 20 IKED FC(F)C(F)(F)COCCc1nc(C2(c3cccc(C(F)(F)F)c3)CCC2)no1 567427823 CHJRAOAZYATBLS-UHFFFAOYSA-N 426.332 5.018 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(-c2cccc(CN3CCCC3=O)c2)no1 577679360 HWXJRZJBIJVVAF-UHFFFAOYSA-N 443.425 5.110 30 20 IKED C[C@H](Oc1ccccc1NCC(=O)N(CCC#N)c1cccc(Cl)c1)C(F)(F)F 582451687 VKSRVDWIVXDLHB-AWEZNQCLSA-N 425.838 5.028 30 20 IKED N#Cc1ccc(N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] 582639487 YTOUDRJEGRDAMV-QGZVFWFLSA-N 445.319 5.082 30 20 IKED N#Cc1ccc(N2CCC(c3nc(-c4ccccc4OC(F)(F)F)no3)CC2)c(F)c1 589085585 GBAMJNORQOJLRT-UHFFFAOYSA-N 432.377 5.030 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 599510506 MNEKNCVJZTVOKD-CHWSQXEVSA-N 437.311 5.650 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 603640050 RMTWNXYKTJTBKU-OAQYLSRUSA-N 437.499 5.298 30 20 IKED CN(Cc1ccccc1N1CCCC1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603692365 IVUAPMLLBUKDSF-UHFFFAOYSA-N 427.508 5.010 30 20 IKED Cc1cc(N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)n2c(nc3ccccc32)c1C#N 604270644 GKZKYSMJPNCOIQ-BETUJISGSA-N 426.364 5.235 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)cc1 608841064 JPUIRBLJXBFWSA-CLJLJLNGSA-N 441.531 5.373 30 20 IKED CN1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)Cc2ccccc21 609046659 IEFJJAWIHLALPE-QFIPXVFZSA-N 430.939 5.479 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)[C@H]3CCCCN3C(=O)c3cccs3)c2)cc1 609176374 GLODICNRNWDPHM-OAQYLSRUSA-N 431.517 5.045 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H]3c3ccc4c(c3)OCO4)c2)cc1 609208634 ARNXFXCCDHVNQC-QFIPXVFZSA-N 427.460 5.448 30 20 IKED N#CCCSc1ccccc1NC(=O)Cn1c(Cc2ccccc2)nc2ccccc21 609378774 QPFIQXSUYZJWDB-UHFFFAOYSA-N 426.545 5.272 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 609431011 JBRRHLRAWUIEQF-MRXNPFEDSA-N 441.512 5.134 30 20 IKED COc1cc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OC1CCCC1 609435365 JTKIVXZZHDLHPI-KRWDZBQOSA-N 439.581 5.733 30 20 IKED CC(C)N(Cc1cc(Br)ccc1F)C(=O)CCCCOc1cccc(C#N)c1 609499289 FZBPFOOWEQJSCJ-UHFFFAOYSA-N 447.348 5.446 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Nc3cccc(COCc4ccco4)c3)cn2)cc1 609601238 YTUFGIIOJKCRHD-UHFFFAOYSA-N 440.459 5.699 30 20 IKED CCN(C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[C@H](C)c1cccc(O)c1 609844665 PEUPFXQNBPOAOD-QGZVFWFLSA-N 428.492 5.131 30 20 IKED COc1cc(C[S@](=O)[C@H](C)c2ccc(F)c(F)c2)ccc1OCc1cccc(C#N)c1 609923808 RVHLUUGVYJEFGH-MKTHODDLSA-N 441.499 5.434 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(COC3CCCC3)cc2)cc1 610070957 RZLULDKZIKHFMK-UHFFFAOYSA-N 442.584 6.562 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCn4c(cnc4C4CCCCC4)C3)cn2)c1 611488284 UQHKBQQLMFUPJV-HXUWFJFHSA-N 441.535 5.191 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)c(Cl)c1 611992182 AACYOXJMRZAIRD-UHFFFAOYSA-N 425.197 5.322 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)s2)c(F)c1 669694190 NLJVRRSMNFXHLJ-AWEZNQCLSA-N 441.484 5.505 30 20 IKED Cc1cccc([C@H](NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C(F)(F)F)c1 681490429 WOAYGIOVGUDWBM-XQQFMLRXSA-N 436.318 5.371 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)nc3c2cnn3[C@H](C)CC)cc1 726321487 KITKWLCSRAVROO-XPIZARPCSA-N 431.540 5.185 30 20 IKED C#CCN(Cc1ccc(F)cc1)C(=O)c1cccc(COc2ccc(CCC(C)=O)cc2)c1 727309794 OBLCVCRNLPJTGR-UHFFFAOYSA-N 443.518 5.202 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C/c2cccc(OC3CCCC3)c2)cc1Cl 727953507 CRFUACSBZKOBIA-BQYDLMEBSA-N 438.911 5.031 30 20 IKED CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cc1 728267685 ANWKTKPCHUXRSB-UHFFFAOYSA-N 428.536 5.137 30 20 IKED N#C[C@H](C(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1nc2cc(F)ccc2s1 730416504 DSKDZRNOOPCNCK-CQSZACIVSA-N 432.436 5.041 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1nc3cc(F)ccc3s1)O[C@H](C)C2 730695315 HFXOMECTWWNKDE-VFAJRCTISA-N 436.508 5.137 30 20 IKED Cc1ccc(CC(=O)Nc2cccc([C@H](C)OC(=O)[C@@H](C)Oc3ccc(C#N)cc3)c2)cc1 731301761 NPXZRJVYALPKHA-VQTJNVASSA-N 442.515 5.120 30 20 IKED C=CCOc1ccccc1CNC(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 732433194 DJNAFHKMBMTIIV-UHFFFAOYSA-N 437.540 5.261 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(Cl)c2SC(F)F)cc1 733631437 CQOMXBXJHOQJPF-UHFFFAOYSA-N 426.876 5.606 30 20 IKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N[C@@](C)(C#N)C4CCCCC4)cc3)ccc12 734239039 WNFKSYJXQIQCNU-MHZLTWQESA-N 444.531 5.273 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cc(-c2ccccc2Br)no1 734358618 VOVARNLYLGNTDL-UHFFFAOYSA-N 444.288 5.895 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@]2(Cc3cccc(OC)c3)C[C@H]3CC[C@H]2C3)c1 735444887 YXDWJMDUMKGOPT-DULCQUKNSA-N 432.564 5.041 30 20 IKED COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)c(F)c1 745998759 QDCQZEVWNQLVLI-YWEYNIOJSA-N 432.423 5.150 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2CC=C(c3cccc4ccccc34)CC2)c1=S 746079995 YUMDCTZOBBVCBP-UHFFFAOYSA-N 439.588 5.562 30 20 IKED COc1ccc(CCCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 747111541 BKNMVCRMUGUNFR-JOCHJYFZSA-N 428.488 5.158 30 20 IKED N#C[C@H](C(=O)CCc1cccc(F)c1F)c1nc(-c2ccc(Cl)cc2Cl)cs1 750396577 AYMQHAYPOHVPCQ-CQSZACIVSA-N 437.298 6.204 30 20 IKED CC(C)(C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(-c2ccccc2)cc1 752067495 XSDCKVWTSVJBIN-UHFFFAOYSA-N 439.559 5.103 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(Cc2cccs2)Cc2cccs2)cc1C#N 752299584 PUNGOXAFVIPSPX-UHFFFAOYSA-N 440.550 5.484 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2coc(-c3ccccc3)n2)c1 755609288 QMBJGSCSOJQGHM-UHFFFAOYSA-N 433.537 5.115 30 20 IKED N#C[C@@H](C(=O)[C@H](OC1CCOCC1)c1ccccc1)c1nc2cc(Cl)ccc2s1 759223454 UVOAHINUDDXKCG-LAUBAEHRSA-N 426.925 5.063 30 20 IKED C=CC[C@H](N[C@H](C)c1sc(-c2ccccc2Br)nc1C)c1ccncc1 766020962 RVHOTNQPXHKEFM-KUHUBIRLSA-N 428.399 6.244 30 20 IKED Cc1nn(CC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1-c1ccccc1 774068384 IOSYFBWQIHLTHQ-INIZCTEOSA-N 434.471 5.137 30 20 IKED C=CCCC[C@@H](C)NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl 776014364 IJTWOXKNRPFMQV-GFCCVEGCSA-N 435.824 5.654 30 20 IKED COc1ccc([C@@H](Cc2ccc(F)cc2)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1 777113486 CARFSGGILFDRAT-AREMUKBSSA-N 445.538 5.063 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccccc1 777171587 BZGICIDSTDQBCR-DEOSSOPVSA-N 440.499 5.177 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCCc2cn(C(C)C)nc21 780416329 VOUYWMQBKAUCED-QHCPKHFHSA-N 429.524 5.636 30 20 IKED CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 782708400 LQEMSQJFJXCLIV-ZRBLBEILSA-N 448.567 5.299 30 20 IKED CC(C)COc1ncc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1Cl 783353129 PKMZNUKTOZXDFD-ZDUSSCGKSA-N 440.714 5.038 30 20 IKED C[C@@H]1CN(c2ccccc2F)CCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 789033616 PFEUCBMVHDSKRW-XXBNENTESA-N 428.511 5.224 30 20 IKED CC(C)C(=O)c1ccc([C@@H](C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cc1 802123724 SJMRRBSIOMQUTP-SNVBAGLBSA-N 434.323 5.343 30 20 IKED N#CCCC[C@H](NC(=O)C(=O)Nc1ccccc1SCc1ccccc1)c1ccccc1 815788729 MTSRIJIYYCEWJW-QFIPXVFZSA-N 443.572 5.469 30 20 IKED COc1cc(C#N)ccc1OC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C 822024850 KJQASTXUMUXTNX-UHFFFAOYSA-N 426.476 5.087 30 20 IKED N#CCCn1cc(C(=O)COc2ccc3c4c(c(=O)oc3c2)CCCCC4)c2ccccc21 822647142 OAAGDQCKXUYZKU-UHFFFAOYSA-N 440.499 5.192 30 20 IKED CC(=NOCC(=O)Nc1ccc(SC(F)F)cc1)c1nc2ccccc2n1C(F)F 836978627 UCFMFLPTQLNUJC-UHFFFAOYSA-N 440.422 5.125 30 20 IKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H](C)c1cccnc1 837302208 UEELPYKAFVCHAB-GCJKJVERSA-N 444.560 5.112 30 20 IKED Cc1noc(C)c1CSc1ccccc1C(=O)N(O)Cc1cc(Cl)cc(Cl)c1 901379857 QXAOXDCRIUUNGE-UHFFFAOYSA-N 437.348 5.922 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2nc3ccccc3s2)cs1 916246933 YCTYNIIJPUETTE-UHFFFAOYSA-N 427.942 5.537 30 20 IKED Cc1nc(-c2ccccc2)[nH]c1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916904646 BVAVEWFKLQDLNZ-HXUWFJFHSA-N 436.471 5.139 30 20 IKED C[C@H](Sc1ccc(Br)cc1)C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 917026279 DGDFTHZWYOXOIG-GUYCJALGSA-N 443.391 5.930 30 20 IKED Cc1nc2sccc2c(=O)n1N=Cc1c(Cl)cccc1OCc1ccccc1Cl 917542095 ZPKZJABYPGNFNP-UHFFFAOYSA-N 444.343 5.534 30 20 IKED CCC(CC)[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccs1 918470584 KIZJZYOVCRPHMO-VWNXMTODSA-N 445.588 5.636 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 920102561 VVASCLHMBPBYME-QGZVFWFLSA-N 442.496 5.181 30 20 IKED N#CCOc1ccc(Cl)cc1CN(Cc1ccccc1F)c1ccc2nc(O)[nH]c2c1 1644800253 RAVQLPAPFIXPCV-UHFFFAOYSA-N 436.874 5.170 30 20 IKED N#CCCC(=O)Nc1ccc(C2(NC(=O)CCc3ccc(Cl)cc3Cl)CCC2)cc1 1787888983 VXVYXBZJYZCQHP-UHFFFAOYSA-N 444.362 5.364 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2)CCC1 1788687272 HMYBFXDCCNAVMH-UHFFFAOYSA-N 434.923 5.924 30 20 IKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)o4)cc3)CCC2)c1 1788880538 HWHLELISSSNLFJ-UHFFFAOYSA-N 437.858 5.005 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(C)oc4cc(O)ccc34)cc2)CCC1 1789024537 YRHZTKHAUNLTOE-INIZCTEOSA-N 432.520 5.407 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)COc3ccccc3F)CCC2)cc1 1789458340 XENMIGJKPTTZQN-OAQYLSRUSA-N 436.527 5.107 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)CCC2)cc1 1791588115 BDGYNZYYVWLKNO-UHFFFAOYSA-N 440.503 5.147 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ncccc3C(F)(F)F)CCC2)cc1 1791730823 XUNJARWLLVILNQ-UHFFFAOYSA-N 443.469 5.042 30 20 IKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[nH]n1 1822405672 SPHBNMQEZUSJAT-HNNXBMFYSA-N 441.746 5.252 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCC3CCC3)CC2)c1 1824354120 AUURDQHNYDBICL-CPJSRVTESA-N 435.612 5.127 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc3ccccc3c2)CC1 1826400634 RBIXAEMMUOGNJK-HFZDXXHNSA-N 432.608 5.214 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)ccc2F)CC1 1828826950 FYKQCKDWIOULCK-URXFXBBRSA-N 426.576 5.136 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)Oc2ccccc2)CC1 1831531621 FHEHKLCCLSUHKT-XUZZJYLKSA-N 440.628 5.066 30 20 IKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1832633678 MMILRDHERMKXES-LVXARBLLSA-N 443.591 5.169 30 20 IKED N#Cc1cccc(CSc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccco2)c1 12016276 IKIJIPQNFOOZOS-UHFFFAOYSA-N 441.343 6.057 30 20 IKED C=CCN(Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)Cc1ccc(Cl)s1 18939405 MYTMWTKBVQNNIX-UHFFFAOYSA-N 427.982 5.555 30 20 IKED C=CCn1c(SCc2csc(-c3ccc(F)cc3)n2)nnc1-c1ccc(OC)cc1 23635099 MCVFQPHWTNUGAB-UHFFFAOYSA-N 438.553 5.695 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)nnc1-c1ccc(F)cc1 24014936 HIAAUZXNRSZNPE-MAUKXSAKSA-N 442.585 5.176 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1C#N 25278324 CXSWZKMMMRBOHS-OAHLLOKOSA-N 434.590 5.182 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1NC(=O)c1ccco1 71951671 PHFVZOMVPBTKSE-OAHLLOKOSA-N 435.892 5.594 30 20 IKED C=CCn1c(SCc2csc(-c3ccccc3OC)n2)nnc1-c1ccccc1F 195569825 LZZQEMLDAWEWID-UHFFFAOYSA-N 438.553 5.695 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2coc(-c3cccs3)n2)cc1 303305642 QUMUDKCAAWEIBO-UHFFFAOYSA-N 429.501 5.229 30 20 IKED CC(C)(NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1nccs1 303636708 GXEPPBMAXQSYRC-UHFFFAOYSA-N 426.929 5.304 30 20 IKED C=CCOc1c(Br)cc(CNc2ccc(O[C@H]3CCOC3)cc2)cc1OCC 303834755 PHDAANIDBHVZTL-IBGZPJMESA-N 448.357 5.192 30 20 IKED COc1ccc(F)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1OC 409524429 XYVJXCCOWCSOCA-UHFFFAOYSA-N 440.858 5.199 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 410274532 FEFXODBYYVSRNY-HXUWFJFHSA-N 442.588 5.262 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N(CCCO)Cc3ccccc3)cc2Cl)c1 426076344 KLGUEMIZRBRRQD-UHFFFAOYSA-N 449.938 5.207 30 20 IKED CCCOc1ccc(C(C)(C)NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 432606610 HYHCNECPESRALM-UHFFFAOYSA-N 448.567 5.115 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 432679190 HDLUQAYVFWJOAK-ZCYQVOJMSA-N 442.950 6.552 30 20 IKED COc1ccc(NC(=O)N[C@@H](c2cc(F)ccc2F)C(F)F)cc1OCC(F)(F)F 433248011 QGQCKORFUPBFDY-HNNXBMFYSA-N 440.315 5.042 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(CCc1ccccn1)Cc1ccncc1 436340859 SBWJNRYUVSVNEK-IBGZPJMESA-N 431.565 5.148 30 20 IKED CC(C)(CCC#N)CNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O 436737686 JQQDLDBSVPODJH-UHFFFAOYSA-N 434.323 5.011 30 20 IKED CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 437460281 MCWFSGJPJHTFCT-UHFFFAOYSA-N 445.494 5.356 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@H](C)C[C@@H]2c2cccc(F)c2)cc1 438181146 DLCYLVGANHMBRG-UZUQRXQVSA-N 445.494 6.113 30 20 IKED C[C@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1cccc(OCc2ccccn2)c1 438642431 QXOXVKPVLAKHDL-HNNXBMFYSA-N 440.425 5.434 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)Nc1cccc(CO[C@@H]2CCC[C@H](C)C2)c1 438726290 UMGTZIWEYMMPJP-PGRDOPGGSA-N 449.551 5.018 30 20 IKED CCCc1c(NC(=O)N[C@H](C)c2ccc3ncsc3c2)cnn1-c1cccc(C#N)c1 439681944 CALOTTAOFAQTOT-OAHLLOKOSA-N 430.537 5.189 30 20 IKED C=CCN(C(=O)[C@@H]1C[C@H]1c1sccc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 439854312 JHTUQDRHCLHQCZ-IAGOWNOFSA-N 425.535 5.411 30 20 IKED Cc1sc(Br)c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1C 440684796 WCHPKBQTFVQOPJ-UHFFFAOYSA-N 443.391 6.079 30 20 IKED C[C@H](NC(=O)NCC1CCC(C#N)CC1)c1nc(-c2ccc(Br)cc2)cs1 440999517 PEQWXVLRAHAOCQ-NFOMZHRRSA-N 447.402 5.263 30 20 IKED N#Cc1ccc(Br)c(CNc2cccc(C[S@](=O)c3ccccc3)c2)c1 442140587 SPOAIKXBAPBTCB-SANMLTNESA-N 425.351 5.241 30 20 IKED C[C@H](C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2)c1ccc(Br)s1 443881594 SAWLPEGFKQSHSE-NSHDSACASA-N 443.391 5.952 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(Cl)c(Br)c3)CC2)c1 447149936 CGNXRTYCTCIWRK-UHFFFAOYSA-N 434.721 5.049 30 20 IKED C[C@@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nc(C2CCCCC2)no1 464700584 QWNJMKWKGLIRTJ-QGZVFWFLSA-N 430.508 5.059 30 20 IKED C[C@@H](C#N)CSc1ccccc1N[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 466149506 WJMLKDBOOKUYSN-STQMWFEESA-N 433.364 6.468 30 20 IKED C[C@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)Sc1ccccc1 466311521 JPNWGHHUAWTNFS-LJQANCHMSA-N 431.561 5.634 30 20 IKED C=CCN(C(=O)C[C@@H](OCC)C1=CCCC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 467103304 TWSLHTOZIBICHE-HXUWFJFHSA-N 427.526 5.143 30 20 IKED CN(C)[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)c1c(F)cccc1Cl 468930350 JHXHUVJHQAPFOJ-QHCPKHFHSA-N 437.902 5.171 30 20 IKED N#CC[C@@H](CC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 475753017 AJQGDRQXLAKKIR-IBGZPJMESA-N 430.379 5.162 30 20 IKED CC[C@H](C)n1c(SCC(=O)N(C)c2cc(Cl)ccc2C#N)nnc1-c1ccccc1 479562893 LGCHMCSPULQSAT-HNNXBMFYSA-N 439.972 5.196 30 20 IKED CCN(C(=O)COc1ccccc1C#N)[C@H](c1cccnc1)c1csc2ccccc12 480996884 GLWMHYPTMMJLMV-RUZDIDTESA-N 427.529 5.185 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(COc2ccccc2)cc1 481280470 FHGLREZPWRQLMW-UHFFFAOYSA-N 432.568 5.331 30 20 IKED C=C(C)Cn1c(S[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccncc1 481353198 WUBCILDHGXFHPJ-AWEZNQCLSA-N 438.944 5.473 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1cccnc1Oc1cccc(F)c1 482343766 OLXDNWMNFAYGJD-UHFFFAOYSA-N 432.499 5.252 30 20 IKED C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)Nc2ccccc2SC[C@H](C)C#N)C1 483342252 PCQJXMIJCCSAJX-RZQQEMMASA-N 447.526 6.572 30 20 IKED CCc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 483995642 SCXGBVOVLAYVST-MRXNPFEDSA-N 433.817 5.571 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1CCCC[C@H]1c1ncc[nH]1 486684408 ASWDUJMPAUDSIH-IBGZPJMESA-N 449.580 5.116 30 20 IKED CC(=O)c1cc(NC(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)ccc1F 486861967 MJXXZDLYNHJZRN-MRXNPFEDSA-N 436.327 5.862 30 20 IKED C=CCn1c(SCCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccccc1 487002946 XATMTFIHPDACII-UHFFFAOYSA-N 432.471 5.271 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)nnc1-c1ccccc1C 488899054 NNCXHTYANYMOML-IEBWSBKVSA-N 438.622 5.345 30 20 IKED N#Cc1ccccc1NC(=O)CCSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1 489392843 AUOUSUROUYDQBQ-UHFFFAOYSA-N 449.923 5.173 30 20 IKED COc1ccc(-c2noc([C@H](C)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)n2)cc1 489707308 PDGCJZPYGLIXEZ-INIZCTEOSA-N 442.475 5.591 30 20 IKED N#Cc1cc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)ccc1Oc1ccccc1 490478822 ISDSPJPFBNWAAQ-UHFFFAOYSA-N 446.463 5.270 30 20 IKED N#C[C@H](C(=O)c1cnc(OC2CCCCC2)c(Cl)c1)c1nc(-c2ccncc2)cs1 497363972 KZDPJVIVDXOBNT-QGZVFWFLSA-N 438.940 5.455 30 20 IKED CN(C)C(=O)c1cccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 502200492 BDBZHAPZCXLODY-JOCHJYFZSA-N 446.938 5.019 30 20 IKED COc1ccc(Sc2ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc2)cc1 503037369 ZATVWJLSDQMAMT-HSZRJFAPSA-N 426.538 5.047 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 503629611 PXMBJWGHMAFSST-UHFFFAOYSA-N 436.515 5.440 30 20 IKED Cc1c(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cnn1-c1cccc(C(F)(F)F)c1 503886937 AINCSXXNLIIHAQ-UHFFFAOYSA-N 436.437 5.001 30 20 IKED CCC[C@H]1C[C@@H](C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)CCO1 504076077 JTRNIHMXDPCVRR-HOTGVXAUSA-N 437.487 5.158 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)[C@H]3CC=CC[C@@H]3c3nc4ccccc4s3)CC2)cc1 505123349 FOLLJTDFFYFHPM-VXKWHMMOSA-N 443.572 5.288 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@@H](c2nccs2)C(F)(F)F)c1 507630927 LFXFTKBFJSHJSQ-INIZCTEOSA-N 437.830 5.494 30 20 IKED CCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 511873210 KEVUBVSNFSMRFH-UHFFFAOYSA-N 445.494 5.011 30 20 IKED N#Cc1cccc(COc2cccc(NCc3cccc(C(=O)NCc4ccco4)c3)c2)c1 515665675 VUUSONXBFHJCQM-UHFFFAOYSA-N 437.499 5.272 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC 517132412 SVHUUFDGIFRTQN-QHCPKHFHSA-N 443.503 5.737 30 20 IKED Cc1noc(-c2ccc(C)c(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)c2)n1 518547696 SIGSBDGRMVREML-UHFFFAOYSA-N 428.423 5.409 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)COc1ccccc1C(F)(F)F 519451147 RJSPUBHSOQSMLR-GJZGRUSLSA-N 437.487 5.546 30 20 IKED COc1ccccc1NC(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1 520480703 ULUJRFVOTOGRFA-UHFFFAOYSA-N 442.519 5.262 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccccc3OC[C@H]3CCCCO3)c2)c1 522313184 SJKWUOJBDLKRNJ-XMMPIXPASA-N 442.515 5.337 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)CCc1nnc(-c2cc3ccccc3o2)o1 522393043 OHLGYLUHOFPUGT-UHFFFAOYSA-N 438.443 5.113 30 20 IKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F 524433346 WKDCNHDCSVQADM-SNVBAGLBSA-N 436.327 5.021 30 20 IKED N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 534630308 RDGVKXFVRWIHGY-KRWDZBQOSA-N 433.817 5.078 30 20 IKED Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 538686603 HHIFRJHJGNCDAC-UHFFFAOYSA-N 438.484 5.644 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 541948625 UNQOKPRKKIAEJE-LBPRGKRZSA-N 440.208 5.861 30 20 IKED CCSc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 542066175 WHJIXTHTSHHUHV-KRWDZBQOSA-N 429.545 5.153 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 542107198 AUVOKHHPIUTOHQ-WOJBJXKFSA-N 439.441 5.195 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)C(c1ccccc1)c1ccccc1 542558582 ALLXWBWIBMXOGP-NHCUHLMSSA-N 443.616 5.830 30 20 IKED Fc1cccc([C@@H](NCc2nc(-c3ccc(C(F)(F)F)cc3)no2)C(F)(F)F)c1F 543191972 OFSNGRZKBIAOPA-OAHLLOKOSA-N 437.290 5.427 30 20 IKED C=CCOc1c(Br)cc(CN(C)C[C@@H](C)c2nccs2)cc1OCC 543392849 DIHFSWQPEPOQRE-CQSZACIVSA-N 425.392 5.105 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCOc3ccc(F)cc32)cc1 548409222 JJNHWHPMFKXMPF-FQEVSTJZSA-N 433.439 5.144 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 557727547 HDIICKOJJNMOKW-MRXNPFEDSA-N 440.544 5.103 30 20 IKED Cc1ccccc1C1(CNC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)CCCCC1 557739465 ZERJBKMZGBPJEC-HXUWFJFHSA-N 449.620 5.346 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)cc1 569035967 RDJLSHDVUURIHE-QHCPKHFHSA-N 442.519 5.155 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(OCC2CCCC2)CC1 580318733 DOGFDBYGMJUZAL-IBGZPJMESA-N 442.579 5.309 30 20 IKED C=CCN(C(=O)c1cc(Cl)ccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603458877 KOGQQBWOKHCXQQ-UHFFFAOYSA-N 434.304 5.858 30 20 IKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Nc1ccc(C(C)(C)C#N)cc1 603872835 UBNUNYFRLYLYFC-UHFFFAOYSA-N 441.362 5.778 30 20 IKED Cc1ccccc1-n1ncc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1C 604003810 XTQDGYQQHSSGJQ-UHFFFAOYSA-N 436.515 5.387 30 20 IKED C[C@@H](CNC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F 608467123 SLGKUOIKJIDJNS-MEWQQHAOSA-N 432.355 5.277 30 20 IKED CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 609104080 NIVUXAHIHSQPGA-UHFFFAOYSA-N 437.452 5.159 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(S(=O)(=O)C4CCCC4)cc3)c2)cc1 609176621 TUIUGVBQXSJIIZ-UHFFFAOYSA-N 446.528 5.319 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H](c4nc5ccccc5o4)C3)c2)cc1 609209262 YVEYLPRBYCYDHF-IBGZPJMESA-N 438.487 5.903 30 20 IKED CCCN(C(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C)c1cc(Cl)ccc1C#N 609285612 BXTIZWUHPKKRFT-UHFFFAOYSA-N 443.938 5.526 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl 609402902 HEEQEOFBRPUENB-CVEARBPZSA-N 431.964 5.970 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@H]3CCOc4ccccc43)c2)cc1 609422546 YYIMQDUYZIEDGJ-OAQYLSRUSA-N 427.504 5.019 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1 609427863 YKSLXSGIQBZFOW-KKXNLOMOSA-N 427.614 5.275 30 20 IKED COCCOc1ccc(F)cc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 609724412 YNGLXUSVKJMYCQ-UHFFFAOYSA-N 440.858 5.421 30 20 IKED COc1cc(CSCC(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1cccc(C#N)c1 609741104 DUQSOLZCGJDSTD-XMSQKQJNSA-N 438.593 5.074 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 609845503 UJWZAWRFMBIHDV-SFHVURJKSA-N 435.593 5.992 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2csc(Nc3ccccn3)n2)cc1 609874090 NWVHXZJKAFPNMJ-UHFFFAOYSA-N 443.507 5.135 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3ccc(O)cc3CC2)cc1Cl 609928407 WUAYXYZWYXDQGJ-HSZRJFAPSA-N 431.923 5.334 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)c1C 610054041 JVGODWZCYRSMNC-CQSZACIVSA-N 429.307 5.074 30 20 IKED CN1CCC[C@@H](CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@H]1c1cccs1 610180517 DTHSVGVSIVJRFG-DHLKQENFSA-N 445.588 5.012 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1c1ccccc1Br 610674497 WLPHBLOWEYDCIW-HNAYVOBHSA-N 444.398 6.212 30 20 IKED CC(=O)Nc1cccc2c1CCN(C(=O)N[C@@H](C)c1ccc(-c3cccc(C#N)c3)cc1)C2 611855357 VILFAZXSBDTBQA-SFHVURJKSA-N 438.531 5.013 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(NC(=O)C(C)(C)C)cc3C)n2)cc1 613314456 PZVWOFQNDWMMMK-INIZCTEOSA-N 437.590 5.963 30 20 IKED Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1ccc(C#Cc2ccccc2)cc1 614987039 VVLUGLAKCZOFNA-UHFFFAOYSA-N 430.507 5.899 30 20 IKED Cc1cc(-n2cccn2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 616110493 ZCAGBVVIHVDOFG-UHFFFAOYSA-N 439.494 5.426 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 618766189 IUUDXCVNERTKAF-IRXDYDNUSA-N 427.348 5.167 30 20 IKED C=CCn1c(SCC(=O)c2sccc2Br)nnc1-c1ccccc1F 643092437 MRWLIOFMBZFXFV-UHFFFAOYSA-N 438.347 5.069 30 20 IKED COc1ccc(CCCCCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 727633550 YVAZSFBVZKNDGX-QFIPXVFZSA-N 429.545 5.670 30 20 IKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1csc(-c2cccs2)n1 728428414 XFUMYBZJQKLLJJ-UHFFFAOYSA-N 433.587 5.378 30 20 IKED CN(C[C@@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1)C(=O)OC(C)(C)C 729552328 DIPLPPFNSTWNSF-WMZHIEFXSA-N 448.567 5.063 30 20 IKED COc1ccc(C(C)(C)CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC 730061176 QIRBZDPVZOGECH-HSZRJFAPSA-N 443.547 5.459 30 20 IKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(C3CCC3)C2=O)cc1 730459955 QFMFKCVWCDTENI-JOCHJYFZSA-N 449.576 5.019 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CCC2)cc1C 730460046 SWDSDVZRGBTYOB-HXUWFJFHSA-N 443.519 5.094 30 20 IKED C[C@H](C#N)CSc1ccccc1NS(=O)(=O)/C=C\c1ccccc1Br 730997765 UABLEBPVNRZLLC-IWMPZKFUSA-N 437.384 5.113 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1 731064130 VXLQDCGNVXDAGH-HNNXBMFYSA-N 446.956 5.074 30 20 IKED COc1cc(/C=C/C(=O)c2cnn(-c3cccc(Cl)c3)c2C)cc(Br)c1O 731565093 DQUCURFHTIFPQB-VOTSOKGWSA-N 447.716 5.207 30 20 IKED Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3cccc(COc4cccc(C#N)c4)c3)o2)cc1 734590945 NBXPGMIUHFIUNE-GOSISDBHSA-N 439.471 5.414 30 20 IKED COc1ccccc1OCCN(C)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 735003220 DSVSCXBKZPMBFV-UHFFFAOYSA-N 436.895 5.164 30 20 IKED COc1ccc(-c2nc(CSCc3cc(Cl)ccc3OCC#N)cs2)c(OC)c1 735318959 SRSUOCLHYAYEIR-UHFFFAOYSA-N 446.981 5.816 30 20 IKED Cc1cc(C)c(NC(=O)COC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c(Cl)c1 738749347 KLCMACHKTAKSEI-UHFFFAOYSA-N 433.895 5.368 30 20 IKED C[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nc(-c2ccc(Cl)cc2)no1 742934857 HSDYRHOEGJPOAY-HNNXBMFYSA-N 444.878 5.545 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)cc1 744033438 QFDVJNHNAFEKPN-OXJNMPFZSA-N 437.515 5.285 30 20 IKED C=C(C)COc1cc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)ccc1OC 747040673 HELZEHZYKMEPFV-UHFFFAOYSA-N 445.544 5.279 30 20 IKED N#Cc1ccc(NC(=S)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1Cl 747672682 QCQFSHGGIPYDPH-QGZVFWFLSA-N 425.863 5.001 30 20 IKED N#CCCN(Cn1nc(-c2ccc(F)cc2)n(Cc2ccccc2)c1=S)CC(F)(F)F 749955358 LVXHRPJIXGNNMZ-UHFFFAOYSA-N 449.477 5.004 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(C(=O)O)s2)cc(Br)c1OC(F)F 750903814 STDOCNSRKMLUTR-ONEGZZNKSA-N 447.253 5.105 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(C3SCCS3)cc2)cc1 751141651 IGJOTTSDYTWSSM-UHFFFAOYSA-N 448.569 6.090 30 20 IKED N#Cc1cccc([C@@H]2CN(Cc3c(-c4ccc(Cl)cc4)nc4sccn34)CCO2)c1 761760912 XIXAOBKLMOVZNW-NRFANRHFSA-N 434.952 5.161 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CNC2(c3ccc(F)cc3F)CCCC2)c1=S 764133275 XYKMEVSPQYYSPN-UHFFFAOYSA-N 441.551 5.347 30 20 IKED N#Cc1ccc(N2CCN(C(=O)Nc3cccc(C4SCCS4)c3)CC2)c(Cl)c1 770116395 UJYYPUDGFHYMSX-UHFFFAOYSA-N 445.013 5.044 30 20 IKED C[C@H]1C(=O)N(c2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C(=O)N1Cc1ccccc1 771820479 UFJMBEQFHGLCBH-HTAPYJJXSA-N 429.907 5.353 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(N2C(=O)N[C@@H](Cc3cccc4ccccc34)C2=O)cc1 771903026 HMSMYFLBFVHFSM-UIOOFZCWSA-N 431.495 5.163 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 778536227 WTAGAMXUKUOLED-QFIPXVFZSA-N 434.879 5.147 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccccc3)nc3ccc(C)cc23)cc1 780310208 VXWLBGROSHNFFT-QHCPKHFHSA-N 435.483 5.180 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 780495258 KHIDFYFJUORWMP-SFHVURJKSA-N 426.476 5.267 30 20 IKED Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)[C@H](O)c1ccc(C#N)cc1 780952232 YVXZFIPMIPSGCR-XMMPIXPASA-N 442.494 5.276 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(Cc2noc([C@H]3CCCN3c3ccc(C#N)cc3)n2)cc1 783621957 BKBSSICQMPYYRG-OAQYLSRUSA-N 445.523 5.221 30 20 IKED COc1ccccc1[C@H](C)CC(=O)[C@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 787054815 WXNYKAPQTNTPDD-LBTNJELSSA-N 433.335 5.082 30 20 IKED C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cnc(-c4ccccc4OC)nc3)c12 792869138 JMQWRQDFWJGHBL-BUHFOSPRSA-N 449.514 5.145 30 20 IKED CC(C)(C)OC(=O)N[C@H](CCC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)c1ccccc1 797572858 JTERSLJXWDRVQP-ZWKOTPCHSA-N 441.597 5.663 30 20 IKED CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)cc1 799219278 ONINTJAXVJDHNU-INIZCTEOSA-N 436.364 5.282 30 20 IKED N#CC1(CCCOC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)CCOCC1 800083262 QDVXUARUAKEWCN-UHFFFAOYSA-N 433.430 5.101 30 20 IKED O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NN=Cc1cscc1C(F)(F)F 811628659 HLIJHSPAYSWMJI-UHFFFAOYSA-N 428.270 5.048 30 20 IKED Cn1c(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)ccc1-c1ccccc1Br 813214468 XYTVTAITGXSCIQ-CQSZACIVSA-N 448.242 5.358 30 20 IKED N#CCCC[C@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccccc1 815788917 QKCIFVMHNULDQN-QHCPKHFHSA-N 425.492 5.592 30 20 IKED C=C1c2ccccc2C(=O)N1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 822081215 YIAWAUHLKVDCKQ-INIZCTEOSA-N 433.577 5.226 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(-c2nc([C@H]3CCC(=O)N(CC4CCC4)C3)no2)cc1 856561172 TXVNQSCLLIVOON-SFHVURJKSA-N 446.482 5.046 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CCCCC#N)c1nc(-c2ccc(-c3ccccc3)cc2)no1 904549748 UKWNMWDQRCVSMN-NRFANRHFSA-N 432.524 6.053 30 20 IKED CCN(C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12)[C@H](C)c1ccc(C#N)cc1 914509810 ZQEYCLDGKLXZFK-LJQANCHMSA-N 436.511 5.863 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)COc1cc(Cl)c(Cl)cc1Cl 920106671 WLHULFFQSUUAMU-GFCCVEGCSA-N 435.694 5.407 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1 920139657 WSKAOLIXEZAIIA-SCLBCKFNSA-N 439.518 5.084 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4cccs4)n3)n2)cc1 920143603 SHSQWOSDFIYCLV-INIZCTEOSA-N 437.571 5.423 30 20 IKED CCCOc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920804777 ZFWDVSSOULNIAZ-INIZCTEOSA-N 428.460 5.132 30 20 IKED CC(C)c1cccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 920806492 MESMJIMFOMMKSY-RHSMWYFYSA-N 426.488 5.855 30 20 IKED CCCN(Cc1nc(O)c2sccc2n1)C(=O)Nc1scc(C(C)(C)C)c1C#N 1625087871 QUYMINWFPNEDRN-UHFFFAOYSA-N 429.571 5.072 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H](c3ccccc3)C(C)C)cc2)CCC1 1786184017 LYGAQWROYWCILB-RDPSFJRHSA-N 449.595 5.361 30 20 IKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)on3)CCC2)cc1 1786389891 SZTIJODUXODZTJ-QFIPXVFZSA-N 449.576 5.044 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)cc3C)CCC2)cc1 1790564278 VOZMADZHARIMPN-KRWDZBQOSA-N 441.959 5.197 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3cccc(F)c3)CCC2)cc1 1792264215 HBLCIFAZDPOOKU-UHFFFAOYSA-N 441.506 5.049 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CSc1c(C)cccc1C 1798620996 QPDRKTJKXGFXNN-WKCHPHFGSA-N 428.642 5.026 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)CCCCC)[C@H]1c1cccnc1 1812693990 QKZAANZAGFBZOE-YMPZKCBVSA-N 427.633 5.296 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C(C)=C/c2ccc(C)o2)[nH]n1 1814828985 LRUVIJSNPKQWDW-XEPMYJLFSA-N 436.556 5.175 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](C)c2cccs2)n[nH]1 1822704407 VOWYBJWIJLZSMQ-VQIMIIECSA-N 426.586 5.035 30 20 IKED CC(C)=CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824057329 MQSNYDPKZARRJJ-DEOSSOPVSA-N 441.015 5.058 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3ccoc3c2)CC1 1828830485 NFKQGPCUOJGNHT-DNQXCXABSA-N 434.580 5.435 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(C)C)cc2)CC1 1831447073 WSLZQSOJQSBOFL-JOCHJYFZSA-N 432.555 5.255 30 20 IKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(Cl)c2C)CC1)C(F)(F)F 1831448685 KXADVUWWHDDMOG-IBGZPJMESA-N 442.909 5.000 30 20 IKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)CC1 1832698258 FDKUWSKQBNNXFY-VWLOTQADSA-N 443.591 5.137 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)cc2C)CC1 1832724905 DFUDCAZUVYDYBB-VWNXMTODSA-N 426.576 5.136 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)C1 1844635755 USFSBEYRGUHGNH-FQEVSTJZSA-N 443.547 5.013 30 20 IKED CCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2cc(C)cc(C)c2)cc1 10172517 GWVASNCGMREHMF-UHFFFAOYSA-O 448.612 5.352 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)n1 10399659 CTOZPCJTZGKRHF-SNVBAGLBSA-N 449.376 5.298 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(Cl)cc2)cc1 10832113 UVPBMKSPBMMEFI-UHFFFAOYSA-O 431.915 5.519 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1C1CC1 15278148 MPTMESTURZSOJB-SNVBAGLBSA-N 430.883 5.133 30 20 IKED CC1CCC(C#N)(N(C)C(=O)[C@H](C)Sc2nc(C(F)(F)F)nc3ccccc23)CC1 26514591 QFKRQOIHCTZYNN-DMAKZNTKSA-N 436.503 5.060 30 20 IKED OC(=N\c1nc(-c2ccc[nH]2)cs1)/C(=C/c1cccs1)n1nnnc1-c1ccccc1 28253844 BCHFKYPGIDFLDC-PDGQHHTCSA-N 445.533 5.140 30 20 IKED C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 31776760 SPEAYVUULCNPOZ-INIZCTEOSA-N 433.489 5.165 30 20 IKED COc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc1OCc1ccccc1 35043783 XXHLUMYCUVWLTG-NTUHNPAUSA-N 429.516 5.007 30 20 IKED COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 63641439 JFORQHVOHYRZGQ-RTBURBONSA-N 429.520 5.345 30 20 IKED Cc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cs2)cc1 64714756 IVEWSLVZDXHHEG-AWEZNQCLSA-N 437.496 6.010 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1nc(-c2cccs2)no1 72025270 YTJHYQOBHUFVOZ-UHFFFAOYSA-N 430.489 5.342 30 20 IKED Cc1ccc([C@H](Nc2ccc(C(F)(F)F)cc2C#N)c2cccc(S(C)(=O)=O)c2)cc1 301732860 TWRIBGDAAPIPFR-QFIPXVFZSA-N 444.478 5.491 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccccc1OCc1cccc(Cl)c1 303674837 FGHZSPUBGJSATL-UHFFFAOYSA-N 436.943 5.217 30 20 IKED CC(C)n1c([C@H](C)NC(=O)c2ccc(COc3ccccc3C#N)o2)nc2ccccc21 303694677 MZFFWROLLPVGKN-KRWDZBQOSA-N 428.492 5.152 30 20 IKED C[C@@H](NC(=O)NCc1ccc(-c2ccccc2C#N)cc1)c1nc(C(F)(F)F)cs1 426242075 WDXMZZFQAKESLD-CYBMUJFWSA-N 430.455 5.261 30 20 IKED C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 426703624 GZXUKBBLMMRYSN-INIZCTEOSA-N 433.895 5.162 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Br)cc1Cl)c1nc2cc(Cl)ccc2s1 429879909 PEZMGMGHYXMNLD-SNVBAGLBSA-N 441.137 5.611 30 20 IKED N#CCSc1cccc(C(=O)NCc2ccccc2-c2ccc(CN3CCCC3)cc2)c1 430956848 MLUSLKGTUKXSMZ-UHFFFAOYSA-N 441.600 5.495 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1)c1ccccc1 433152573 RUHCZIUOAYZIRJ-QHCPKHFHSA-N 446.938 6.149 30 20 IKED CCNC(=O)N(C)c1cccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 433498122 MYKIKHWMOSHZJV-SFHVURJKSA-N 441.535 5.274 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)Cc2cc(Cl)ccc2Br)cc1 434000750 DFRSOXRFSPZDBE-UHFFFAOYSA-N 445.666 5.108 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@H]2CCOC3(CCSCC3)C2)c1 434326726 NHVWNXJMTRPIKX-KRWDZBQOSA-N 442.968 5.179 30 20 IKED Cc1cccc(CN(Cc2cccc(C)n2)C(=O)Nc2ccccc2SC[C@@H](C)C#N)n1 435135471 QENLYXIHBNLISM-SFHVURJKSA-N 445.592 5.580 30 20 IKED C[C@@H](Nc1ccc(Oc2ccc(Cl)cn2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 439637830 GWRLXAZEPBPCTQ-CYBMUJFWSA-N 427.291 5.491 30 20 IKED N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2cccc3ccccc23)cc1C(F)(F)F 441737934 OBNXXXNOZPQWDQ-NRFANRHFSA-N 437.421 5.032 30 20 IKED C=CCOc1c(Br)cc(CN[C@H]2CCOc3c(F)cccc32)cc1OCC 443012995 UXBFTQJIQFBODJ-SFHVURJKSA-N 436.321 5.165 30 20 IKED C=CCn1c(SCc2coc(-c3c(F)cccc3F)n2)nnc1-c1ccccc1F 443424458 GHKRJWMARYMBEE-UHFFFAOYSA-N 428.439 5.496 30 20 IKED N#CCCSc1ccccc1NCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 446622628 FEGPLOBEUVEUET-HSZRJFAPSA-N 427.573 5.279 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Br)c(F)c2)cc1C 461510317 SQCJIYPLKAGKBF-UHFFFAOYSA-N 441.304 5.235 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)N(C)S(=O)(=O)c3ccc(Cl)cc3C#N)s2)cc1 462335071 SIUWXUIPKWFIDB-OAHLLOKOSA-N 445.997 5.334 30 20 IKED N#Cc1cc(NC(=O)CSCc2cccnc2)ccc1Oc1ccc(C(F)(F)F)cc1 464295679 OICHHJLUHKWRDO-UHFFFAOYSA-N 443.450 5.636 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2nc(-c3cccs3)cs2)cc1C 465455168 YTXBHFDDZBBRHI-UHFFFAOYSA-N 433.562 5.518 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C 468581053 WORCHKZXLZXVDO-XOBRGWDASA-N 445.535 5.059 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3Cn3cccn3)cc2Cl)c1 469063348 UJGUTKFIPBCQHZ-UHFFFAOYSA-N 442.906 5.288 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)CNc2cccc(C(=O)Nc3ccccc3)c2C)c1 470555857 KFEOPLRLAMORJH-UHFFFAOYSA-N 440.547 5.223 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@]3(Cc4ccccc4)C[C@H]4CC[C@H]3C4)ccc21 470769678 QTNGIEKRHHEKLZ-ZKOMGTKCSA-N 441.575 5.257 30 20 IKED C[C@@H](Cc1ccccc1)n1cccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470773482 OIPYIOHIGXJBOF-FQEVSTJZSA-N 440.547 5.127 30 20 IKED Cc1cc(Br)c(F)cc1NC(=O)c1occc1COc1cccc(C#N)c1 471561446 ZKIYGDZQZQZZRP-UHFFFAOYSA-N 429.245 5.193 30 20 IKED N#Cc1cccc(-c2nnc(CN[C@@H](c3ccccc3)c3ccc(Br)cc3)o2)c1 471616131 BTMMQSNVVTWIPS-QFIPXVFZSA-N 445.320 5.250 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@H]1c1nc2ccccc2o1 474223543 RICZEJSPQPLGMI-PXNSSMCTSA-N 434.565 5.388 30 20 IKED CSc1nc(C2CC2)cc(C(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)c1C#N 476938466 HGCXZGSYECNQFE-UHFFFAOYSA-N 438.940 5.099 30 20 IKED C=C(C)[C@H](NC(=O)N(C)CCCc1cc(-c2ccccc2)no1)c1ccc(F)c(F)c1 477738524 DHTSVROYPXCPIX-QHCPKHFHSA-N 425.479 5.511 30 20 IKED CCc1onc(-c2ccc(Br)cc2)c1C(=O)[C@H](C#N)c1nc2ccccc2n1C 483435563 GHLGKUCMHNMRDU-HNNXBMFYSA-N 449.308 5.043 30 20 IKED O=C(NCc1ccc(COCC(F)(F)F)cc1)N[C@H](c1ccc(F)cc1)C(F)(F)F 485227053 YSPBMBBCOHLSLT-MRXNPFEDSA-N 438.343 5.007 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)nnc1-c1ccc(C)cc1 489651723 UTNUJRRGEDXLCS-ZDUSSCGKSA-N 448.379 5.261 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cccc(Cl)c1Br 491601284 KJOHERWAYYFRJG-NSHDSACASA-N 445.791 5.298 30 20 IKED CCOCCOc1ccc(Br)cc1NC(=O)N[C@@H](CCC#N)c1ccccc1 493766675 QIEABXXRNQWPNP-SFHVURJKSA-N 446.345 5.031 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 494013226 ZALDVKKWTNQSRB-VQTJNVASSA-N 448.320 5.559 30 20 IKED CN(C(=O)c1ccc(NC(=O)N(CCC#N)Cc2ccco2)cc1Cl)C1CCCCC1 494224606 UTRADYDAXBVLRN-UHFFFAOYSA-N 442.947 5.285 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(C)Cc1cccc(C#N)c1 496943553 DVNBHGIAKURXEY-OAHLLOKOSA-N 425.941 5.147 30 20 IKED C=CCOc1ccccc1C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 499038622 KIFIQXNOTXNOBF-UHFFFAOYSA-N 429.303 5.021 30 20 IKED CC(=O)c1ccc(C(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)[nH]1 499047680 JFKBKZBSESTTRN-ZDUSSCGKSA-N 446.269 5.288 30 20 IKED O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1c([N+](=O)[O-])cccc1C(F)(F)F 500202451 DGIIYSRPNSHSBX-UHFFFAOYSA-N 440.271 5.336 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)c1 500771986 WWUDXUXLKMENRC-DEOSSOPVSA-N 442.515 5.337 30 20 IKED Cc1ccc(C(=O)N(Cc2ccco2)c2ccccc2C#N)cc1NC(=O)c1ccco1 500994121 FNJOSETUPWNFFT-UHFFFAOYSA-N 425.444 5.152 30 20 IKED C=CCN(C(=O)CCCc1ccc2c(c1)-c1ccccc1C2)c1nc(C(=O)OCC)cs1 501965018 XKTFNYXBPPOYJJ-UHFFFAOYSA-N 446.572 5.433 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc(Oc3ccccc3)nc2)cc1 503066538 OAAZDTALUYBKRH-UHFFFAOYSA-N 442.519 5.010 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2nccc3ccccc23)cc1Cl 505416534 PWUCYIHYDQQFMT-JOCHJYFZSA-N 426.907 5.865 30 20 IKED N#C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)c1nc(-c2ccc(Cl)cc2)cs1 505443424 IDOGWLDFHQKUKK-OAHLLOKOSA-N 437.830 5.608 30 20 IKED CS(=O)(=O)c1cccc([C@@H](NC2CCC(C#N)(c3ccccc3)CC2)c2ccccc2)c1 507609449 ZIGMRJLYAOBFTM-UYYAODIZSA-N 444.600 5.173 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(COc3ccc(C)cc3C)o2)cc1 508141575 GSNQTQFLVOXECQ-UHFFFAOYSA-N 444.531 5.542 30 20 IKED CN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 510342101 NNOPLAVDWOCZNZ-UHFFFAOYSA-N 431.336 5.182 30 20 IKED CC1(c2ccccc2)CCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1 510701124 GLUGYCSBZXOXET-UHFFFAOYSA-N 449.605 5.288 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CCC)[C@H](C)c2cc3ccccc3o2)cc1 510995143 IMTPKPUPRGWHKL-HXUWFJFHSA-N 445.563 6.252 30 20 IKED N#CCSc1ccccc1NC(=O)CN1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 511067358 VLSPKGHVRQMKNP-KRWDZBQOSA-N 433.499 5.139 30 20 IKED COc1ccc([C@H](NC(=O)NCC(C)(C)CCC#N)c2ccccc2)cc1Br 513113273 MBJWCHIGOCKKNN-HXUWFJFHSA-N 444.373 5.176 30 20 IKED C=CCN(C(=O)c1ccc2c(c1)C(=O)N(CCCC)C2=O)c1nc(-c2ccccc2)cs1 514616840 PRZRBHTXUQXKFN-UHFFFAOYSA-N 445.544 5.039 30 20 IKED N#C[C@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(Cl)cc2)CCC3)CCO1 517985026 DUQAAFOMMJUBRO-GJPUVDBCSA-N 443.934 5.130 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(OCc2cn3ccccc3n2)c1 518244915 LAGDCLJCNNZMSD-GOSISDBHSA-N 442.544 5.560 30 20 IKED Cc1nc(COc2cccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)c2)cs1 519056673 GIAVUVRBYNPBSU-UHFFFAOYSA-N 441.512 5.947 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)Cc1nc(-c2cc(Br)cs2)no1 520173963 LFMMSEHZYBENCQ-UHFFFAOYSA-N 431.359 5.090 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccccc1COC(C)C 521352494 POPCSRHOQYZQSN-UHFFFAOYSA-N 429.520 5.906 30 20 IKED CC(C)n1ncc2c(C(=O)N[C@@H](C#N)c3ccc(Cl)cc3)cc(-c3ccccc3)nc21 521603098 SAMBFCWMZQPKPX-QFIPXVFZSA-N 429.911 5.327 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1nc(-c3ccc(C#N)cc3)cs1)O[C@H](C)C2 521676860 LWFYNVCMIQTVRQ-WNYOCNMUSA-N 445.544 5.146 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CSCc1ccc(C#N)cc1 521734112 MYUOBCCVKXDOAW-UHFFFAOYSA-N 435.496 5.455 30 20 IKED C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(Oc2ccnc3ccccc23)c1 522483789 FVCWZESEOIHVCM-UHFFFAOYSA-N 437.499 5.180 30 20 IKED CC[C@H](Cc1cccc(Br)c1)C(=O)Nc1ccccc1SC[C@@H](C)C#N 522683353 CUHSLHAODHMMIX-DOTOQJQBSA-N 431.399 5.908 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 524124338 OSSPLSOPLWUHNM-RUZDIDTESA-N 425.488 5.051 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 524315441 DUMHYEADUPRQST-UHFFFAOYSA-N 430.851 5.190 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ncoc3-c3ccc4c(c3)OCCO4)cc2)c1 524658157 NRJZOTRJBUHJSV-UHFFFAOYSA-N 439.427 5.029 30 20 IKED Cc1nc(C(C)C)sc1[C@H](C)N(C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N 535967906 AXBHJWCROHXTIC-RDJZCZTQSA-N 430.643 5.601 30 20 IKED CC[C@H](C)n1ncc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1C1CC1 536525997 HGHVIKWNFMFKJO-SFHVURJKSA-N 430.556 5.378 30 20 IKED C[C@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 539030382 URODPIAZGIQMFI-LJQANCHMSA-N 447.510 5.081 30 20 IKED Cc1cc(NC(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)nn1CCC#N 539719437 JLEUFQIVZIWKDW-UHFFFAOYSA-N 428.323 5.323 30 20 IKED C[C@@H](NC(=O)N(C)Cc1cnn(-c2ccccc2)c1)c1ccc(-c2cccc(C#N)c2)cc1 543018596 VEDSNSYRLWUKGA-HXUWFJFHSA-N 435.531 5.314 30 20 IKED C[C@@H](NC(=O)N1[C@H]2C=C(c3ccnn3C)C[C@H]1CC2)c1ccc(-c2cccc(C#N)c2)cc1 549128557 PFJVLPPVHIJMCN-ZYKLXPEUSA-N 437.547 5.050 30 20 IKED C=C(C)COc1cc(CN[C@H](C)c2cc3c(cc2Br)OCCO3)ccc1OC 551236252 QBWKSHSIXZTMGW-OAHLLOKOSA-N 448.357 5.035 30 20 IKED N#CCCCn1cc(C(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)c2ccccc21 572753225 FFOQJIJUGOFDAK-UHFFFAOYSA-N 428.511 5.585 30 20 IKED COc1ccc([C@H](CCC#N)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1 577143436 FNCPKWBRPVXGJI-QFIPXVFZSA-N 432.486 5.397 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(c1cccc(Cl)c1)c1nc2ccccc2s1 601872368 YCZKDVHPNRPVAZ-OAHLLOKOSA-N 433.920 5.954 30 20 IKED COc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1OC(F)F 603758755 FVRVSAOGZHZQDQ-SFHVURJKSA-N 442.849 5.858 30 20 IKED Cc1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccc(Br)cc2n1 603945923 NNCHFONSQHSRCD-UHFFFAOYSA-N 426.339 5.370 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)o1 603952409 VKMZDGSSPHLYNB-HSZRJFAPSA-N 446.553 5.641 30 20 IKED COc1cccc(CN(CC(C)C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1 604499741 LZFMIYAXONYKFN-UHFFFAOYSA-N 430.508 5.444 30 20 IKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604522871 MQTJXDCWVDBUJR-SQJMNOBHSA-N 442.519 5.377 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCO[C@H](c3cccc(F)c3)C2)cc1 608995834 JNTOPKLJGNUTRJ-DEOSSOPVSA-N 447.466 5.104 30 20 IKED C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 609104574 HXTWFUWFSQQRBD-ZHRRBRCNSA-N 443.478 5.123 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H](c2ccccc2)C2CCC2)cc1 609207002 CZUSSCVJLRPTMJ-AREMUKBSSA-N 425.532 5.995 30 20 IKED COc1ccccc1CCN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609207513 BHRLLAQFDNPLMT-UHFFFAOYSA-N 429.520 5.161 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Oc3ccc(CO)cc3)cc2)o1 609394321 LXSGHJONSRMMLM-UHFFFAOYSA-N 440.455 5.267 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609433766 HFNXNBQWLZFPME-UHFFFAOYSA-N 428.448 5.479 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccccc3OCc3cscn3)cc2)nc1 609503011 VOEIDXARZQOVSC-UHFFFAOYSA-N 428.473 5.033 30 20 IKED Cc1ccc(C[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c2ccccn2)cc1 609652977 UPODWTZTUBOOGX-RUZDIDTESA-N 434.499 5.163 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c1C 609795447 YFBQEOKIGCYJOR-AWEZNQCLSA-N 429.307 5.074 30 20 IKED CC[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1cc(F)ccc1F 610142168 YZANUAUGJDWNAO-JOCHJYFZSA-N 434.446 5.362 30 20 IKED COc1ccc2c(c1)OCC[C@H]2NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 610320937 LOCLCDFBWQHUTM-JTHBVZDNSA-N 447.922 5.649 30 20 IKED Cc1cc(C)c(C[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)C(F)(F)F)c(C)c1 611118359 VQGHFLUOUMWTSU-SOUVJXGZSA-N 449.357 5.532 30 20 IKED CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)N2CCC[C@@](C)(C#N)C2)ccc1Cl 612302380 HDDZSQATLIUWKI-DEOSSOPVSA-N 438.959 5.160 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 612648138 CUCHYZPAGSXQIM-QGZVFWFLSA-N 441.984 5.834 30 20 IKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1 614439888 VVKFTFYSPNJTSA-LJQANCHMSA-N 441.512 5.357 30 20 IKED Cc1ccc2c(Cl)c(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)sc2c1 615817366 CEKWXVKVGKKFSI-UHFFFAOYSA-N 437.952 5.698 30 20 IKED CN(C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1CC[C@@H](C(F)(F)F)CC1 642025773 UWXVCCRGRZCTIJ-UZWSLXQKSA-N 442.366 5.658 30 20 IKED C=CCn1c(SCc2nc(-c3cccnc3)no2)nnc1-c1ccc(Cl)cc1Cl 648049281 YFEBYCKBQHSGPT-UHFFFAOYSA-N 445.335 5.175 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1C(F)F 669933700 QLMLYRFVVSEMBB-VIFPVBQESA-N 433.343 5.054 30 20 IKED COc1ccc(C(=O)/C=C\c2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cc1NC(C)=O 726430621 ZKBPDSIVUVIYLT-RAXLEYEMSA-N 445.475 5.226 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H](c3ccccc3)CC2)cc1 727624134 QTLPMBYTBHRNHP-BKMJKUGQSA-N 437.543 5.077 30 20 IKED N#C[C@H](C(=O)C[C@H](c1ccccc1)C(F)(F)F)C(=O)Nc1ccc(SC(F)F)cc1 728763646 VLASRXDGAZTGNS-HZPDHXFCSA-N 442.409 5.385 30 20 IKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(CCCCC#N)C2=O)cc1 728775810 DIGTWVWKPAXQRP-OAQYLSRUSA-N 448.592 5.266 30 20 IKED CCC(CC)CN(CCC#N)C(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 729431664 CJLRRDDTGHYDLC-UHFFFAOYSA-N 446.547 5.473 30 20 IKED CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 730422301 VWADOGIISBCEIG-FUHWJXTLSA-N 443.931 5.110 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=Nn1c(S)nnc1-c1ccc(F)cc1 730549929 RTGOWQJZLDZABD-UHFFFAOYSA-N 447.326 5.056 30 20 IKED CN(C(=O)c1ccco1)c1ccccc1C(=O)OCc1ccc(-c2ccccc2C#N)cc1 731083051 XVTHHTGDRLDZJU-UHFFFAOYSA-N 436.467 5.452 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)OCc3nnc(-c4ccccc4Cl)o3)cc2)cc1 731989714 QZOCHRQFEQFMLK-UHFFFAOYSA-N 445.862 5.605 30 20 IKED CCN(C(=O)/C=C\c1ccccc1C#N)[C@H](c1ccc(Br)cc1)c1cccnc1 732963441 OCFRCNRAEBKQHD-ABQONYIQSA-N 446.348 5.367 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2sccc2C(=O)NC2CC2)c1 735005565 UTZQONUTWROZSP-UHFFFAOYSA-N 437.908 5.210 30 20 IKED CC(=NN=c1cc(C(F)(F)F)[nH]c(-c2ccncc2)n1)c1cc(Cl)ccc1Cl 735976501 MRVXWBHBDPQOTO-UHFFFAOYSA-N 426.229 5.122 30 20 IKED CCOc1c(Br)cc(/C=C/C(=O)c2cccc(-c3ccncc3)c2)cc1OC 741472441 IOFVYBHMDDLRHI-BQYQJAHWSA-N 438.321 5.815 30 20 IKED Cc1cc([C@@](C)(O)CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C)o1 743106324 XWZMQOKCVAFOEW-YKSBVNFPSA-N 437.927 5.235 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC1CCN(CC2CCCCC2)CC1 744018920 INUFPDHYBRCEOH-UHFFFAOYSA-N 433.621 5.484 30 20 IKED C[C@H](OC(=O)c1occc1COc1cccc(C#N)c1)C(=O)Nc1ccc2ccccc2c1 744926782 LLVKCWJDLWNFMX-KRWDZBQOSA-N 440.455 5.067 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccccc2F)n(C2CC2)c1=S 746061894 NHLPPKTUKMJMDQ-UHFFFAOYSA-N 435.572 5.542 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)Nc2cc(N3CCCC3=O)ccc2F)cc1 748523578 DQOMVVCKRCTMLJ-UHFFFAOYSA-N 431.492 5.228 30 20 IKED N#Cc1ccc(CSCC(=O)O[C@@H](c2ccccc2)c2nc(-c3ccccc3)no2)cc1 749058305 WNIRTXNIKSETEK-QHCPKHFHSA-N 441.512 5.174 30 20 IKED C[C@H](C[C@@H](O)c1cccs1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 752188799 MBYOOWASJBNNIM-QFIXIFRTSA-N 439.968 5.691 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1C#N 752304715 IGCCFTQGTPFKLB-KRWDZBQOSA-N 430.917 5.139 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S[C@@H](C#N)c3ccc(Cl)cc3)n2N)c1 752927927 CEFCSRGRXBFORB-IBGZPJMESA-N 427.961 5.013 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)O[C@H](c1cccnc1)c1cccc(C(F)(F)F)c1 759592092 CKRZJTHKLJGDHF-BTYIYWSLSA-N 426.394 5.072 30 20 IKED Cc1cc[n+](/C(C(=S)Nc2cc(Cl)cc(Cl)c2)=C(/O)c2ccc(C#N)cc2)cc1 762444645 BGDCQCOKEHRUCL-UHFFFAOYSA-O 441.363 5.784 30 20 IKED CN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 763578375 NEGZQDVNVOJTFK-CQSZACIVSA-N 442.262 5.267 30 20 IKED COCCc1nc(C)c([C@H](C)OC(=O)c2cccc(COc3cccc(C#N)c3)c2)s1 773910817 HERAKIGMXLXVSX-KRWDZBQOSA-N 436.533 5.009 30 20 IKED COc1cc(Br)c(CNCc2cccc(-c3ccc(C#N)s3)c2)cc1O 779082579 VXIWYIJQVVHOBT-UHFFFAOYSA-N 429.339 5.053 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 780161354 DKVIJUCUWLMTEE-QGZVFWFLSA-N 425.513 6.020 30 20 IKED CCCc1c(C(=O)Nc2ccccc2O[C@H](C)C#N)nnn1-c1ccc(C(C)(C)C)cc1 780175426 GDBNHZOATWQSDH-QGZVFWFLSA-N 431.540 5.060 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1c[nH]c2ccccc12 786307703 AOEIEOCQDQWFPX-WIYYLYMNSA-N 437.499 5.801 30 20 IKED CC[C@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(Sc2ccccc2C#N)cc1)c1ccccc1 787040785 MVUKBGQCFYCLKK-GOTSBHOMSA-N 439.540 5.299 30 20 IKED N#C[C@H](C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)c1cnc2ccccc2n1 792109240 HBNVLRPXESOSSO-NRFANRHFSA-N 434.474 5.726 30 20 IKED CN(C)C(=O)c1ccc(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 792924525 MKJWAFPUWJOMEW-CCEZHUSRSA-N 441.556 5.258 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cc(=O)c2ccc(F)cc2o1 796357586 UAZFCEQFRQCQGP-UHFFFAOYSA-N 430.410 5.098 30 20 IKED N#C[C@H](C(=O)CCSCc1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1 796631257 GUGOPZHHLSAYOX-OAQYLSRUSA-N 430.529 5.450 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)c1 800572211 VFZPOKJXUQSOAB-HNNXBMFYSA-N 441.837 5.284 30 20 IKED Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)NCc1ccc(C#N)c(Cl)c1 802440815 CNVNNEGZZDTXGD-SFHVURJKSA-N 434.371 5.073 30 20 IKED Cc1nn(-c2ccccn2)c(C)c1CNc1ccc(OCc2cccc(C#N)c2)c(F)c1 802648050 IJJOPAFWVARNTQ-UHFFFAOYSA-N 427.483 5.086 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)C1 805856221 WLGNKFSXIDMBEK-NVXWUHKLSA-N 445.972 5.287 30 20 IKED CC(C)(C)OC(=O)N1CCC(Cc2ccccc2C(=O)Nc2ccc(CC#N)cc2)CC1 808030190 VGWXKEYZISBQOC-UHFFFAOYSA-N 433.552 5.195 30 20 IKED Cc1csc(NC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)c1C#N 809003937 CWEQAFBSIAXPAY-UHFFFAOYSA-N 449.333 5.553 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 810234727 GSOSYGAYIWSIEL-OAQYLSRUSA-N 427.589 5.306 30 20 IKED CC(C)(C)OC(=O)NCCC[C@@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1 810261216 CNUVJNIMQXZMMN-RUZDIDTESA-N 448.611 5.163 30 20 IKED Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NCc1cc(C#N)ccc1Br 864007400 ICPBLMREODAARR-MRXNPFEDSA-N 426.358 5.256 30 20 IKED Cc1ccc(Cn2nc(C)c(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)c2Cl)cc1 877698683 WEKBWYKRRDKSPM-UHFFFAOYSA-N 447.951 5.449 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(O)Cc2ccc(F)cc2)c(OC)c1 901374997 ZUYSPUOVHIXFIH-UHFFFAOYSA-N 448.494 5.342 30 20 IKED C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915102263 USFVVVDYPVOSOU-KUHUBIRLSA-N 433.920 5.155 30 20 IKED O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)N1CCCSC1=Nc1ccccc1 915133615 RGMAMWXEKLHKFL-UHFFFAOYSA-N 440.956 5.366 30 20 IKED CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 916057303 NRWHPROCVRDYEA-FQEVSTJZSA-N 434.883 5.222 30 20 IKED Cc1cc(SCC(=O)[C@@H](C#N)c2ccc3ccccc3n2)c(C)cc1Br 916849523 TXQDASFDUAHPSD-INIZCTEOSA-N 425.351 5.583 30 20 IKED Cc1cc(C)n([C@H](C)CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1 916997331 WDVIEBCYQCUQEY-CZUORRHYSA-N 433.364 5.758 30 20 IKED N#C[C@H](C(=O)Cc1ccc(C(F)(F)F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 917042413 FFIKUGUBFWGDNL-CYBMUJFWSA-N 428.357 5.753 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN(CCc2ccccc2)Cc2ccccc2)c1=S 917437259 IQJCJHLUSDNYMQ-UHFFFAOYSA-N 441.604 5.364 30 20 IKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](S)C(C)C)cc3)CCC2)c(Cl)c1 1786395442 CQVOQIDCKHCENL-FQEVSTJZSA-N 447.000 5.051 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Nc3nccs3)cc2)CCC1 1788619980 ZBDYESNIPHUMMX-QGZVFWFLSA-N 440.613 5.070 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)c(F)cc3F)CCC2)cc1 1791583979 HKCGWAQWQSWMIM-UHFFFAOYSA-N 430.882 5.169 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](CCC)n3cccc3)CC2)C1 1804858386 BSFVPBDFDZHUKN-JOCHJYFZSA-N 427.633 5.053 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2Cl)[C@@H]1c1cccnc1 1811699993 KYVOWPCINUAVCY-UGKGYDQZSA-N 439.987 5.047 30 20 IKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3C)[nH]n2)C1 1814398862 XMJVHDADVINXFS-IBGZPJMESA-N 446.473 5.009 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cccc(C)c3[nH]2)[nH]n1 1819307193 PPKKGULVGCMUGG-UGKGYDQZSA-N 445.567 5.274 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2Cl)n[nH]1 1820425858 OMNBZKPYIKCFDC-OXJNMPFZSA-N 426.948 5.137 30 20 IKED CC(C)(C)CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(C#N)CCC2)n[nH]1 1823380589 ICLCVCMZFZLVEQ-IBGZPJMESA-N 427.593 5.092 30 20 IKED Cc1ccccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1829942715 FAPOZDNAEWIOSQ-HSZRJFAPSA-N 449.982 5.067 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2F)CC1 1831566951 ZKIAMWWVSOBRQE-QHCPKHFHSA-N 446.582 5.119 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)[C@H](c1ccc(Cl)cc1)C(C)C)C2 1844200425 QWYHSPJWMLUCDW-VXKWHMMOSA-N 429.004 5.051 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1 9334276 MDNOICOMGJZAIE-AWEZNQCLSA-N 447.391 5.407 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1csc(-c2ccc(OC)c(OC)c2)n1 18947378 YLQGNZIOYLCLLP-UHFFFAOYSA-N 434.970 5.371 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(N3CCCC3)cc2C)nnc1-c1cccc(C)c1 18972673 AZLUKTGVXIKNSY-UHFFFAOYSA-N 447.608 5.079 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cccc([N+](=O)[O-])c1)=C(/S)Nc1cc(C)ccc1C 22729612 MMSPSLOGZOOEML-UHFFFAOYSA-O 434.541 5.112 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)NCc2ccccc2)cc1 22730824 MPGPBXNTZDJDKO-UHFFFAOYSA-O 437.654 5.976 30 20 IKED CC1=NN(c2ccc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2)CC1 58515676 ZVSGBNSRTQVAQQ-UHFFFAOYSA-N 426.495 5.126 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccnc1Oc1cccc(Br)c1 62905857 HILSNXBLRQKRGK-UHFFFAOYSA-N 448.320 5.336 30 20 IKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)nnc1-c1ccco1 63535509 DSEBLXOJXOLILO-UHFFFAOYSA-N 434.308 5.373 30 20 IKED C=CCc1cc(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc(OC)c1OC 302917951 ADASKIXUSVTYRL-UHFFFAOYSA-N 439.493 5.025 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 303312662 RJJAUHJHFNRYPI-KMFTYDHNSA-N 441.641 5.522 30 20 IKED COc1ccc([C@H](C)CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 303968376 ZGXDOLVTZABIHB-LJQANCHMSA-N 430.573 5.783 30 20 IKED CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)N[C@H](CCCC#N)c1ccccc1 431908995 IZQMRMOIPIUUGL-XMMPIXPASA-N 429.568 5.231 30 20 IKED C=CCC[C@H](NC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1ccccc1 435094443 BUUNABKOBZVTGY-GMAHTHKFSA-N 437.971 5.505 30 20 IKED Cc1ccccc1NC(=O)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 437139742 XUZYNYGBHQDDOJ-UHFFFAOYSA-N 439.393 5.255 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)Nc3cc(Cl)ccc3Cl)c2)c1 437339335 AGQVCSRSMAGBAR-UHFFFAOYSA-N 440.286 5.021 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 438501148 SLHXVJVAWXEGSR-OVWOLCBMSA-N 443.572 5.298 30 20 IKED N#Cc1cccc(C(=O)CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)c1 439056647 ODKPQWVOFJVJHE-UHFFFAOYSA-N 434.908 5.086 30 20 IKED C=CCC[C@H](NC(=O)CCCc1ccc2c(c1)CC(=O)N2)c1ccc(C(F)(F)F)cc1 441578187 DTAWGULGSDPCGR-FQEVSTJZSA-N 430.470 5.346 30 20 IKED C=C[C@H](CC(=O)NC[C@@]1(C)CCN(C(=O)C[C@@H](C=C)c2ccccc2)C1)c1ccccc1 442836016 ZKKUYYHRIVTDJT-MVOZIGHISA-N 430.592 5.061 30 20 IKED CC(=O)Nc1ccc(C)c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 444457254 XQLKLURHISFMGG-QGZVFWFLSA-N 444.343 5.874 30 20 IKED Fc1ccc(-c2nc(CN[C@H](c3ccc(OC(F)F)cc3)C(F)(F)F)no2)c(F)c1 444613422 KAKWAMMENBDJBK-OAHLLOKOSA-N 435.299 5.009 30 20 IKED Cc1cccc2nc(C3CCN(CC(=O)Nc4ccccc4SC[C@H](C)C#N)CC3)oc12 444759475 IHRZPDKLLQYBKJ-QGZVFWFLSA-N 448.592 5.206 30 20 IKED C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 460546472 UUTCKPYOSFMOSK-GCJKJVERSA-N 448.567 5.135 30 20 IKED C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@@](C)(OC)CC1 460803880 MAXXIOOKCLOWDN-XMMPIXPASA-N 437.613 5.349 30 20 IKED C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC[C@H]1c1ccc(Br)s1 460929628 QUPXOFJCTRIQRM-HNNXBMFYSA-N 430.375 5.082 30 20 IKED C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCc2cc(Cl)cc(Cl)c2[C@H]1C 460964444 UDXPSOJIBXOEJC-CABCVRRESA-N 439.387 5.009 30 20 IKED N#Cc1ccc(Oc2cccc(NCc3ncc(-c4ccccc4Br)o3)c2)cc1 462236250 HQVOGRCJGXOFKU-UHFFFAOYSA-N 446.304 6.380 30 20 IKED C=CCc1cc(CN[C@@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)cc(OC)c1O 462740523 ICJOHCHBGYZQKK-DEOSSOPVSA-N 441.543 6.009 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@@](CO)(Cc4ccccc4)C3)cc2)cc1 462889321 RORYLSFFPSINDU-MUUNZHRXSA-N 440.543 5.002 30 20 IKED CC[C@@H](C)N(C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)c1ccc(C(N)=O)cc1 463608349 VYIABJPBNASFJW-GOSISDBHSA-N 427.504 5.203 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@H](C)c1ccc(-c2ccccc2)cc1 464382835 JFAAUNPHBBDULZ-LJQANCHMSA-N 437.547 5.037 30 20 IKED C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 467747853 VKKCUPNUFIBMPP-JMBSJVKXSA-N 434.605 5.252 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 469274717 RJYOMYYVEIZPPF-HXUWFJFHSA-N 439.559 6.118 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc4ncccc4c3)cc2F)c1 471272426 JVJVOTNNUWSFKK-UHFFFAOYSA-N 426.451 5.146 30 20 IKED CSc1cc(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)c(Cl)cc1Cl 472257204 LHGFKWKZOKWCTQ-UHFFFAOYSA-N 431.348 5.642 30 20 IKED CN(Cc1cc2ccccc2o1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 472704334 YODBQOVDSOAMHK-UHFFFAOYSA-N 425.488 5.742 30 20 IKED C=CCn1c(SCC[C@@H](C)OCc2ccccc2)nnc1[C@@H]1COc2ccccc2O1 473412784 QKKNNUOTYGUAKM-GCJKJVERSA-N 437.565 5.064 30 20 IKED Cc1nc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)oc1-c1ccc(Cl)cc1 473823437 RXAMECKGOIVNLK-CQSZACIVSA-N 440.956 6.019 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)n1 474428554 RAHZHLYJJCHMRH-SFHVURJKSA-N 432.480 5.613 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(COC(F)(F)F)cc3)c2)c1 475013582 FCRXSEWPBXACKO-UHFFFAOYSA-N 439.393 5.099 30 20 IKED C=C(C)[C@H](NC(=O)C(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1)c1ccc(F)c(F)c1 477660845 GAKBYKYAHGZLRV-FQEVSTJZSA-N 441.503 5.077 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 477982915 JUFWOMFMUKILPU-XZOQPEGZSA-N 436.540 5.181 30 20 IKED COc1ccc(C(=O)CCCC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 480043562 OMEGOQCECAJMII-UHFFFAOYSA-N 428.488 5.138 30 20 IKED CCN(C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1)CC(F)(F)F 480799847 APBIKDSIHJTNLF-SFHVURJKSA-N 446.473 5.089 30 20 IKED C=C(C)Cn1c(SCCOC(c2ccccc2)c2ccccc2)nnc1-c1ccncc1 481346962 XHLLXNVUFMSZHO-UHFFFAOYSA-N 442.588 5.815 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cccc4cccnc34)cc2F)c1 481681695 DJNRINQTFQJVLA-UHFFFAOYSA-N 426.451 5.146 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481735583 APTDAMCBHGASCI-UHFFFAOYSA-N 445.494 5.505 30 20 IKED N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 481913484 GCRVIKNIPYIUSY-DHIUTWEWSA-N 441.497 5.298 30 20 IKED CC(C)(NC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1nc(C(F)(F)F)cs1 482403696 LDPMGGPETSPJEA-NSHDSACASA-N 447.351 5.278 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 482962425 WPSFUXQLFAPRAI-CABCVRRESA-N 432.952 5.274 30 20 IKED Cc1ccccc1-n1nc(C)c2cc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)sc21 483476500 YVZOYTJQSLTIRW-KRWDZBQOSA-N 425.517 5.081 30 20 IKED CSc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1[N+](=O)[O-] 486256065 XCCGKFBPGAEZKI-UHFFFAOYSA-N 433.489 5.328 30 20 IKED CC(C)(C#N)c1ccccc1CNc1ccc(NC(=O)[C@H]2CCCO2)cc1C(F)(F)F 486442840 QHKLWZGKUDSAMK-HXUWFJFHSA-N 431.458 5.236 30 20 IKED N#CCSc1ccccc1NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 488691034 QDVFXGGFJYVWFJ-UHFFFAOYSA-N 432.530 5.236 30 20 IKED C=CCn1c(SCc2ncc(-c3ccc(OC)cc3)o2)nnc1-c1cccc(OC)c1 488900153 PTAGLUBUYWMMQT-UHFFFAOYSA-N 434.521 5.096 30 20 IKED C=C(C)Cn1c(S[C@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1ccncc1 489383176 FKCCZSRFZRKXME-QHCPKHFHSA-N 426.545 5.633 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)nnc1-c1cccs1 489402147 LTRDQTVIQCTXBZ-CQSZACIVSA-N 433.002 5.158 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](COc1ccccc1F)C(C)(C)C 490254024 XDCKHYJSPAGPRA-KKSFZXQISA-N 429.561 5.835 30 20 IKED CCN(CCC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 492180363 HDIXCXATEFCYOX-ZPHPHTNESA-N 440.503 5.396 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N(Cc3ccc(F)cc3)C3CCOCC3)c2)cc1 494754402 XNMCCTIRFCHXKG-UHFFFAOYSA-N 445.494 5.703 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 498404099 NDQGFBRECWZZSP-UHFFFAOYSA-N 442.462 5.130 30 20 IKED C=CCn1c(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)nnc1-c1ccccc1F 501108453 SCVCZOMHGHHVMH-OAQYLSRUSA-N 436.556 5.116 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(-c2nc3c(F)cccc3[nH]2)cc1 502509895 HPPGCZXXUPFVHF-UHFFFAOYSA-N 444.466 5.047 30 20 IKED CCc1cc(C#N)c(NC(=O)CSc2nnc(-c3ccccc3)n2[C@@H](C)CC)s1 505071385 SVMJKUUJCFJGQI-AWEZNQCLSA-N 425.583 5.142 30 20 IKED Cc1nc(CSc2ccc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)cc2)cs1 505301287 GVFDVIHVFVNVFK-GOSISDBHSA-N 448.400 6.045 30 20 IKED N#C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1C1CC1)c1ccc(OCc2ccccc2)cc1 505352123 WDGTVMHUVJAXMU-AREMUKBSSA-N 448.526 5.323 30 20 IKED Fc1ccc(-c2nc(CN[C@@H](c3ccccc3C(F)(F)F)C(F)(F)F)co2)cc1F 505857518 RYMBCAHRQIBXSW-INIZCTEOSA-N 436.302 6.032 30 20 IKED CC(C)(CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1F 506317578 UJXGXVMJWRLKIP-UHFFFAOYSA-N 431.511 5.570 30 20 IKED COc1ccc([C@H](NC(=O)N[C@H](CCC#N)c2ccccc2)c2ccccc2OC)cc1 506352392 VEQFHMMGKSNZNX-NOZRDPDXSA-N 429.520 5.137 30 20 IKED N#C[C@H](C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)c1nc2ccccc2s1 507004048 WAEHEYSSBHJDMN-MRXNPFEDSA-N 427.514 5.096 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1 507840523 HBILKNACBPXLGN-MRXNPFEDSA-N 429.476 5.001 30 20 IKED C[C@@H](Nc1ccc(C(=O)Nc2cccc(OCCCC#N)c2)cc1[N+](=O)[O-])c1ccccn1 509470163 LDWOWRJSVCYZNC-QGZVFWFLSA-N 445.479 5.098 30 20 IKED CCOc1ccc(C2=CCN(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)cc1 509495280 YGGNLVQTOIKYMG-IBGZPJMESA-N 435.593 5.207 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2c(Br)cccc2[nH]1 509698115 FFDSUZSENNFQHA-UHFFFAOYSA-N 447.292 5.550 30 20 IKED C=CCN(C(=O)c1csc2cncn12)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 510940825 FSYMKDRXWPXFQT-UHFFFAOYSA-N 435.361 5.659 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(-c3ccccc3)o2)cc1 511384790 RHROGSVFIVHGNT-UHFFFAOYSA-N 437.499 5.913 30 20 IKED CC(C)n1c([C@H]2CCCN(C(=O)CSCc3ccc(C#N)cc3)C2)nc2ccccc21 511481989 XNMADKATKYKDBT-NRFANRHFSA-N 432.593 5.128 30 20 IKED Cn1c([C@H](C#N)C(=O)c2ccccc2CSc2nc3ccccc3o2)nc2ccccc21 513671261 HLVNNXIVGYXXGB-GOSISDBHSA-N 438.512 5.497 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3s2)cc(OC)c1OCc1ccccc1 513681457 CLOOYSXKBGBSHO-SFHVURJKSA-N 444.512 5.383 30 20 IKED CN(Cc1nccn1CC(F)(F)F)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 517117940 GUAYQSAGPOVYRO-UHFFFAOYSA-N 448.289 5.147 30 20 IKED CC(C)Cc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)C2CC2)cc1 518151569 PIBNUFCPCGIEFN-UUOWRZLLSA-N 449.620 5.343 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1csc(-c2cccs2)n1 518666886 MDFRZWFLDPDUIG-CQSZACIVSA-N 445.660 6.138 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCCCC(=O)Nc1ccc(Cl)cc1 518755829 ONSSOSDGIIFQBJ-OAHLLOKOSA-N 430.961 5.275 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C1CCN(Cc2ccccc2)CC1 518946012 AMMCKFUEKUTFAC-UHFFFAOYSA-N 441.550 5.451 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(C(=O)CCC2CCCCC2)CC1 520198796 GBIAWMWARZSZAN-IBGZPJMESA-N 442.629 5.117 30 20 IKED C=CCN(C(=O)Nc1ccc2oc3ccccc3c2c1)[C@H](C)c1cccc(-n2cnnn2)c1 520937313 YINRVBFXMNJEAP-QGZVFWFLSA-N 438.491 5.343 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 521125941 DGXMOKTYPLDSLL-UHFFFAOYSA-N 444.494 5.933 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N(CCOC)[C@H](C)c1cccc(C(F)(F)F)c1 521841051 QVTVOZIJPYATCZ-OAHLLOKOSA-N 435.446 5.217 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 522653993 CZTIVXLMYHYVRG-HOTGVXAUSA-N 446.523 5.083 30 20 IKED Cc1nc(NC(=O)c2occc2COc2cccc(C#N)c2)sc1Cc1cccc(F)c1 523274639 QRTTZIVSUVPUMU-UHFFFAOYSA-N 447.491 5.477 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 524831582 AKIXKOSVPPEOPX-WBVHZDCISA-N 428.533 5.312 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F 525001728 VHVBPYLFEHFCLY-SJKOYZFVSA-N 427.879 6.017 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](CC(F)(F)F)c1ccc(F)cc1 538176952 YVSWWMKOQZLUMQ-KSSFIOAISA-N 439.478 5.442 30 20 IKED C[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(-c2cccnc2)cc1 540433235 QSNIROAVUOUFDV-MOPGFXCFSA-N 430.577 5.432 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 540816323 NQQWJUBUAYVHPY-VQIMIIECSA-N 432.553 5.092 30 20 IKED C[C@H](NCc1nnc(-c2ccc(Br)o2)o1)c1ccc(-c2cccc(C#N)c2)cc1 541084262 NLZQCVHUUITBQC-AWEZNQCLSA-N 449.308 5.482 30 20 IKED COc1coc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)cc1=O 541194714 UAUKBYKVCOBHRR-AWEZNQCLSA-N 449.269 5.079 30 20 IKED Cc1nn(CC(F)F)c(C)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 546868499 BYHJBMFANSUAIF-GOSISDBHSA-N 428.870 5.326 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3ccc(Br)cc3C#N)o2)cc1 553412190 CRHAFNNXTZTYCL-UHFFFAOYSA-N 428.311 5.228 30 20 IKED N#C[C@@H](C(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)c1nc2cc(Cl)ccc2s1 553999203 FTKUXEQJKSPMTP-LBPRGKRZSA-N 448.813 5.509 30 20 IKED CN(C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)[C@H]1CC[C@@H](C(F)(F)F)CC1 558345298 SGPPMTUWWVGSAH-MAEOIBBWSA-N 441.925 5.398 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NC[C@@H](c3ccccc3)C(F)(F)F)cc2)ccn1 558510638 DYCYCQBXCSBWSZ-FQEVSTJZSA-N 426.398 5.213 30 20 IKED Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cccs1 559158870 XNIXCORLGMZNSQ-HNNXBMFYSA-N 434.594 5.083 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 563327738 CLHIJZNNBRFNAF-DNQXCXABSA-N 431.536 5.011 30 20 IKED CCc1ccc([C@H](C#N)NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 564250637 HZLIBCVDQMGXHU-ZEQRLZLVSA-N 445.950 5.145 30 20 IKED COc1cc(C#N)ccc1NC(=O)C(C)(C)c1csc(-c2c(F)cccc2Cl)n1 572902377 WFGXLIKQKMFJQE-UHFFFAOYSA-N 429.904 5.399 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1oc2ccccc2c1CN(C)C 576493098 DYKOUHVKNNDUFT-UHFFFAOYSA-N 425.488 5.719 30 20 IKED N#CCCCOc1cccc(CN[C@@H]2CCCc3c2[nH]c2ccc(Br)cc32)c1 578169100 OBICERRBJNPFAU-JOCHJYFZSA-N 438.369 5.780 30 20 IKED CN(Cc1cc(Br)cs1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603689414 KVTGJYMVQVFPMB-UHFFFAOYSA-N 443.326 5.233 30 20 IKED CCOc1ccc([C@H](C)NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 603831271 GWUYNQSQCVEJIP-KRWDZBQOSA-N 428.492 5.092 30 20 IKED C[C@@H](c1ccccc1)n1c(Sc2ccc(C#N)cc2[N+](=O)[O-])nnc1-c1ccccc1 603869752 IIFBJTDUTDSNQO-INIZCTEOSA-N 427.489 5.485 30 20 IKED CC(C)(C)Oc1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 604438541 YEYIOFDCALRVLJ-UHFFFAOYSA-N 430.573 5.958 30 20 IKED Cc1ccc(-c2noc(CCC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)n2)cc1F 604457434 LWJBHBOOZDFPMX-UHFFFAOYSA-N 442.450 5.419 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)COCc2nc3ccccc3s2)cc1 604569083 OROWGTDNEGUPFL-UHFFFAOYSA-N 445.500 5.124 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 605363266 RGSKSIKEHKOKPV-OAHLLOKOSA-N 440.450 5.812 30 20 IKED FC(F)(F)c1cc(N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)nc(-c2ccncc2)n1 608080401 VZKGSXCKSIHQGP-QWRGUYRKSA-N 444.301 5.125 30 20 IKED CN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609079651 FTDPFRXDTLRNHQ-UHFFFAOYSA-N 449.894 5.183 30 20 IKED C=CCN(C(=O)c1cc2ccccc2n1CC#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 609215783 WVTVOMSBJHHNAV-UHFFFAOYSA-N 443.488 5.029 30 20 IKED CN(C(=O)c1ccc(NC(=O)NCc2ccc(C#N)cc2F)cc1Cl)C1CCCCC1 609253305 CGTUNTCQAYJZBQ-UHFFFAOYSA-N 442.922 5.077 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CCc3cc(Br)cs3)cn2)c1 609326812 HBYJXOUGSUDFME-UHFFFAOYSA-N 428.311 5.141 30 20 IKED COc1ccccc1[C@H](NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C)c1ccccc1 609401284 BXVDYZOBNGVYOZ-AREMUKBSSA-N 427.548 5.524 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)c1sccc1C#N 610051296 FNTYWSRQYVWVAV-JTQLQIEISA-N 432.368 5.305 30 20 IKED Cc1[nH]nc(C(F)(F)F)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 610436669 LRADXMLMQUGVQV-UHFFFAOYSA-N 434.805 5.093 30 20 IKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1nc2cc(Cl)ccc2s1 613403458 PSBBEDXZJZYLOJ-SFHVURJKSA-N 431.904 5.692 30 20 IKED C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618448997 DFRDNWBIGMMGTD-JLLWLGSASA-N 436.318 5.095 30 20 IKED Cc1nnc(SCc2c(C(=O)N[C@@H]3CCc4cc(C#N)ccc43)oc3ccccc23)s1 618790103 VSWLIVHUJBZBQA-LJQANCHMSA-N 446.557 5.174 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N2CC[C@@](F)(c3cc(C)cc(F)c3)C2)c1C(F)F 669685210 ZMIPWLNTBZYZOB-SFHVURJKSA-N 437.359 5.018 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NC1CCC(OC(C)C)CC1 677023355 LBAQMSAFCZVRIE-UHFFFAOYSA-N 427.358 5.022 30 20 IKED Cc1cc([C@H](NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C2CC2)ccc1F 677590431 VTDSNVQYVMGMAB-OFQRWUPVSA-N 426.376 5.358 30 20 IKED N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccc(F)c(F)c1)c1nc2cc(F)ccc2s1 679980908 ZTUJXTBEPLZWCP-INIZCTEOSA-N 436.414 5.435 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccccc2C)[n+]2ccc(C(C)(C)C)cc2)c1 726573276 VNSFWBJTYOSWEU-UHFFFAOYSA-O 427.593 5.885 30 20 IKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1csc(Cc2ccc(F)cc2)n1 727038175 HGFRPFPKIRENRR-MRXNPFEDSA-N 448.306 5.141 30 20 IKED C=C(C)COc1cc(/C=C2\SC(=S)N(CCc3cccs3)C2=O)ccc1OC 727863968 NUNMPCFTIMFZFE-UNOMPAQXSA-N 431.604 5.156 30 20 IKED Cc1ccccc1[C@H](C)NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728298589 WXGAKNIGQXTGNC-OALUTQOASA-N 431.511 5.263 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)cc1 730136515 MNSSLLYNNMOZMV-VXKWHMMOSA-N 432.474 5.021 30 20 IKED Cc1ccc(-c2csc3nc(/C(Cl)=C/c4cccc(OCC#N)c4)nc(O)c23)cc1 730151909 TZIZJKKBEAYBNX-UNOMPAQXSA-N 433.920 6.012 30 20 IKED C#CCOc1cccc([C@H](C)OC(=O)COc2ccc(C3SCCCS3)cc2)c1 730702130 XTEMUVDZHFRQEK-KRWDZBQOSA-N 428.575 5.251 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)ccc1F 731198529 LHFCHWCYPBKUQD-FQEVSTJZSA-N 425.504 5.465 30 20 IKED Cc1c(C(=O)/C=C/c2csc(-c3cccc(Br)c3)n2)c(C#N)c2n1CCC2 731936543 ANWJUGVZWPFUCL-BQYQJAHWSA-N 438.350 5.397 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC[C@@H](O)c3cccc(C(F)(F)F)c3)cc2)cc1 732289031 BIMMQYPEHJYALF-JOCHJYFZSA-N 440.421 5.027 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NC[C@H](O)c3ccc(Cl)cc3Cl)c2)cc1 732298165 RSCHLYPAGGNJIZ-NRFANRHFSA-N 427.287 5.121 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 732708996 WQYBPCDRANWQIX-SFHVURJKSA-N 436.414 5.117 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)c1 733843922 PBUHBZZMPUEEAB-QFIPXVFZSA-N 446.482 5.081 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1sc2ccccc2c1C)[n+]1cc(O)cc(Cl)c1 738015551 YDODXLNICKISFV-UHFFFAOYSA-O 431.990 5.233 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nc(-c2cccc(F)c2)no1 743097948 YXRGGGSLQXPPPX-ZHRRBRCNSA-N 441.466 5.414 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnc(-c3ccc(OC)cc3)s2)cc1 744032074 BLTRIDULYKBMLJ-QRWLVFNGSA-N 433.533 5.293 30 20 IKED CCN(CC(=O)[C@H](C#N)c1nc2ccccc2s1)[C@@H](C)c1cccc(C(F)(F)F)c1 746143776 HPHMBMQYLBJAHE-YOEHRIQHSA-N 431.483 5.574 30 20 IKED CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 748482697 NFICRMXCZLBOIN-AEFFLSMTSA-N 429.973 5.067 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)/C=C/SCc3ccco3)s2)c(C(F)(F)F)c1 754225011 ONNIDYJWTDBVHE-FNORWQNLSA-N 449.479 5.603 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C2CC2)[C@@H](C)c2ccc3ccccc3c2)c1 754919863 KRGYDUXZVXMKKQ-DFBJGRDBSA-N 427.548 5.956 30 20 IKED C[C@H](Oc1ccccc1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccccc1 761860749 JVIAPJOXHWXEKF-UQBPGWFLSA-N 427.504 5.304 30 20 IKED CCCCc1ccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccccc2CC)cc1 762441936 WNUFVZNWFWHESL-UHFFFAOYSA-O 442.608 6.074 30 20 IKED C=CC[C@H](N[C@@H](C)c1sc(-c2ccccc2Br)nc1C)c1ccncc1 766020963 RVHOTNQPXHKEFM-LIRRHRJNSA-N 428.399 6.244 30 20 IKED O=C1C/C(=C\c2cnc(-c3ccc(Br)cc3)s2)C(=O)c2ccccc2N1 774147018 XWKXWBWXVLUJSY-UKTHLTGXSA-N 425.307 5.181 30 20 IKED CC1(C#N)CCN(Cn2nc(Cc3ccccc3)n(-c3ccc(Cl)cc3)c2=S)CC1 779879848 POLQSDYOUHHBIU-UHFFFAOYSA-N 438.000 5.231 30 20 IKED COc1cc(CNCc2ccc(C#N)cn2)ccc1OCc1ccc(Cl)cc1Cl 780558037 HKVYPRYCYDOJAV-UHFFFAOYSA-N 428.319 5.137 30 20 IKED C[C@H](OC(=O)c1occc1COc1cccc(C#N)c1)c1nnc(-c2cccc(Cl)c2)o1 783387932 FKGQIAAQSUQUJV-AWEZNQCLSA-N 449.850 5.352 30 20 IKED Cc1cc(COC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)ccc1C#N 784887336 AISHADAZEUBFSU-UHFFFAOYSA-N 430.291 5.290 30 20 IKED Cc1ccc(NCc2ccc(O[C@H](C)C#N)cc2)cc1Oc1ncccc1Br 790936401 ADDQENPANXDCKR-MRXNPFEDSA-N 438.325 5.848 30 20 IKED N#C[C@H](C(=O)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1)c1cnc2ccccc2n1 792102095 DJCJEIZFQKZCFI-UPCLLVRISA-N 448.309 5.933 30 20 IKED COc1cc(/C=C/C(=O)c2cccc(NC(C)=O)c2)c([N+](=O)[O-])cc1OCc1ccccc1 796991758 OMQMCYHXBCPYRV-VAWYXSNFSA-N 446.459 5.037 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)C2C[C@@H]3CCC[C@H](C2)C3NC(=O)OC(C)(C)C)n1 797092934 ASEJPFJOUJRXNX-UIEBLEIFSA-N 431.602 5.162 30 20 IKED Cc1ccccc1NC(=O)c1cc2ccccc2cc1OS(=O)(=O)c1ccc(C#N)s1 797819694 UMBHJKPCEXJWBH-UHFFFAOYSA-N 448.525 5.101 30 20 IKED CC(C)C(=O)c1ccc([C@H](C)C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 802042907 YVWGRNWKUJFVKC-ORAYPTAESA-N 431.319 5.283 30 20 IKED N#Cc1sc(N(Cc2ccccn2)Cc2ccc(Br)cc2F)nc1Cl 804602898 NFNKGRLPSRDQCE-UHFFFAOYSA-N 437.725 5.172 30 20 IKED C#C[C@@H](NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)c1ccc(Cl)cc1 811962935 CWCUJJGREPASCL-UKRRQHHQSA-N 427.879 5.079 30 20 IKED Cc1cc(C#N)cnc1C(=O)O[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 815340503 CMEUEJHGRINROZ-FQEVSTJZSA-N 440.286 5.105 30 20 IKED COc1cccc2c1[C@@H](C(=O)[C@@H](C#N)c1nc(-c3ccc(Cl)cc3Cl)cs1)CC2 815911609 HLWZDXJUAQQBFB-JKSUJKDBSA-N 443.355 6.032 30 20 IKED N#Cc1cc(C(=O)O[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cnc1C(F)(F)F 815968819 VJOFNOVQTRHWHA-CYBMUJFWSA-N 442.237 5.451 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2cccs2)nc2ccccc12 914515406 COMXSOGFVCDDLV-UHFFFAOYSA-N 427.529 5.124 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1 915086023 FKLBRKSPOTXCGY-QHCPKHFHSA-N 426.907 5.493 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 915353500 USNBOHGNPSLLNG-ZEQRLZLVSA-N 428.536 5.284 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 915353948 RMARWAUDSCDRDO-XMMPIXPASA-N 430.939 5.350 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1c(F)c(F)c(F)c(F)c1F 916309220 CLAUUHRRIMRJKS-UHFFFAOYSA-N 435.377 5.011 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cc1csc(-c2ccc(C)cc2)n1 916909220 SERWTOWQTMPZMG-NRFANRHFSA-N 431.561 5.133 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(OC3CCCC3)c(OC)c2)cc1 916915452 JNMTVFGFUNLDFS-QFIPXVFZSA-N 434.536 5.320 30 20 IKED Clc1ccc(-c2nnc(CON=Cc3ccccc3Br)o2)c(Cl)c1 920399138 LALNZUIHEHQGEF-UHFFFAOYSA-N 427.085 5.357 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(-c2ccccc2F)n1 920791673 AZUDNSYPXUAPSL-LBPRGKRZSA-N 434.279 5.217 30 20 IKED C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(N2CCOCC2)cc1 920879446 MLVVPUBZYNXMSB-LJQANCHMSA-N 443.572 5.037 30 20 IKED CC[C@H](C)Cc1c(C)sc2nc(SCc3cccc(C(=O)OC)c3C#N)nc(O)c12 1640819922 MPDSUDBANLKWQW-LBPRGKRZSA-N 441.578 5.245 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc5nc(C)ccc5c4)CCC3)cc2)C1 1785807730 OJZDZZQUZICDIL-UHFFFAOYSA-N 425.532 5.257 30 20 IKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)cc3)CCC2)cc1 1786374217 KYZBXMYWNQTYBO-MRXNPFEDSA-N 446.469 5.044 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)no3)CCC2)cc1 1791729082 SEQICZONDJGLBM-UHFFFAOYSA-N 441.531 5.283 30 20 IKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H](C)c1ccccc1)c1ccccc1 1801749352 MRHGLTFCXXJQHB-UAEBTNLVSA-N 442.603 5.016 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2C2CC2)[C@H]1c1cccnc1 1802501358 MAQOYMVOQDAVGJ-RDGATRHJSA-N 445.607 5.271 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2csc(C)c2C)[C@H]1c1cccnc1 1806050125 GWNUWWIWKHMUQN-IFMALSPDSA-N 439.625 5.072 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3ncccc3c2)[nH]n1 1814829797 VCYQMQURPYJTCJ-HSZRJFAPSA-N 443.551 5.032 30 20 IKED CCC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)CCC1 1828478151 DAIPQVFSYBDGPD-RDPSFJRHSA-N 435.612 5.127 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ncccc23)CC1 1828829060 XHZKZOONODTSNO-NVQXNPDNSA-N 445.607 5.237 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)cc2C)CC1 1831442468 UEVZWUKNSBAVLY-FQEVSTJZSA-N 438.946 5.093 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@]2(F)CCCC=C2F)CC1 1832977290 BBANIQSLCGYREY-SQJMNOBHSA-N 434.571 5.120 30 20 IKED C=CCn1c(SCC(=O)c2ccc(C)cc2)nnc1-c1ccc(Br)cc1 9145682 GGPJIUQENKZXSN-UHFFFAOYSA-N 428.355 5.177 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2cc(C)c(C)cc2C)[n+]2ccccc2CC)cc1 10173858 ATTJSELEWLTZOG-UHFFFAOYSA-O 447.624 5.911 30 20 IKED C=CCn1c(SCc2csc(-c3cccs3)n2)nnc1-c1ccccc1OC 18771372 PCZNKFMBXDQXBJ-UHFFFAOYSA-N 426.592 5.617 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1CC 21849203 VBLLGPNAQLQBIP-HNNXBMFYSA-N 447.029 5.375 30 20 IKED COc1cc(C)c(CN(C)C(=O)c2ccccc2Sc2ccccc2C#N)cc1OC 25766179 ZXTQEXJUDJYXAK-UHFFFAOYSA-N 432.545 5.307 30 20 IKED Cc1cc2nnc(SCC(=O)c3cn(CCC#N)c4ccccc34)n2c2ccccc12 57745429 SPJKYPBXHAASAE-UHFFFAOYSA-N 425.517 5.034 30 20 IKED N#Cc1cc(NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)ccc1OCC(F)(F)F 60462053 ILDNTIOTSJYCRW-UHFFFAOYSA-N 445.441 5.270 30 20 IKED Cc1ccc(-c2nc(C/C(O)=N/c3nc(-c4ccc(Br)cc4)n[nH]3)cs2)o1 63497095 NYVHHGKOIQGXEG-UHFFFAOYSA-N 444.314 5.090 30 20 IKED CCOc1c(OC)cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC 64706796 GGGPDIBPQBCQTA-UHFFFAOYSA-N 447.491 5.088 30 20 IKED CN1/C(=C/C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)C(C)(C)c2ccccc21 103085430 KLYJGJVPWCCSDE-CIAFOILYSA-N 430.533 5.191 30 20 IKED Cn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nc2cc(Cl)ccc21 107841719 GQQNLWHMUPJBGP-OAHLLOKOSA-N 438.965 5.319 30 20 IKED Cc1cc(C)n(Cc2cccc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)c2)n1 109384198 SYETZBORDUQSFZ-UHFFFAOYSA-N 436.515 5.251 30 20 IKED C=CCn1c(S[C@H](C)c2nc(N)c3c(C)c(C)sc3n2)nnc1-c1ccoc1C 110964428 VXYARMYRAQGGMH-CYBMUJFWSA-N 426.571 5.090 30 20 IKED Cc1nc(NC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)sc1SCC#N 195627479 OCIJEQAFUOPCKL-UHFFFAOYSA-N 439.591 5.087 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3C[C@@H]3c3ccc(Br)cc3)s2)cc1 303063029 YVPGHZNDNIPGNO-MOPGFXCFSA-N 438.350 5.110 30 20 IKED COc1ccc(Cl)cc1NCCC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 303081381 VEFMQOHTXLOPRT-UHFFFAOYSA-N 449.938 5.434 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)COc2ccccc2OCC(F)(F)F)cc1 303210615 RDEJAQYXISSYNN-UHFFFAOYSA-N 442.393 5.309 30 20 IKED CCN(C)Cc1cccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 303516571 YARDIHOSSOYPBS-UHFFFAOYSA-N 442.563 5.219 30 20 IKED Cc1ccc(C[C@@H]2CCCN2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 303668963 WSEFPBYCJOGSDP-FQEVSTJZSA-N 449.605 5.250 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccc3c(c2)N(C(N)=O)CCC3)cc1Cl 427954567 IWJCDPOQDDNBDG-UHFFFAOYSA-N 446.894 5.088 30 20 IKED COc1cc(C)cc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1C 428056890 IBALUBWNFRPFQD-UHFFFAOYSA-N 445.544 5.167 30 20 IKED C=CCC[C@H](NC(=O)N1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1)c1ccc(C(F)(F)F)cc1 430887335 DQENMKQFGADKPF-FPSLLJFYSA-N 440.506 5.081 30 20 IKED N#CCC[C@H](NC(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1)c1ccccc1 430895123 SIDHDVDDCYDINC-PMACEKPBSA-N 430.321 5.480 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@H](c1ccccc1)c1ncc[nH]1 432771624 YBNYAZWBDXNKDP-XMMPIXPASA-N 437.503 5.635 30 20 IKED N#Cc1ccsc1N1CC[C@@H](Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)C1=O 433720198 CDSBNVGKQSYCSJ-QGZVFWFLSA-N 445.331 5.331 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCc4ccccc4[C@H]3CO)cc2Cl)cc1 434195282 IFDLKIKQHIMOOM-JOCHJYFZSA-N 433.895 5.128 30 20 IKED Fc1ccc(-n2cc(CN[C@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)cn2)cc1 436411015 OZCCEFCDOAVIRL-GOSISDBHSA-N 431.355 5.814 30 20 IKED COc1cc(-c2nc(CSc3nc(C)cc(C(F)(F)F)c3C#N)cs2)ccc1O 436788767 AZKPPUSHIHATAE-UHFFFAOYSA-N 437.468 5.411 30 20 IKED CCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H](Cc1ccc(F)cc1)C(C)C 437114382 DFJPBMZHFUHRAZ-DEOSSOPVSA-N 431.511 5.614 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CCCc2nc(O)c3ccccc3n2)cc1F 437464775 YJLWKWMBJJAPNB-UHFFFAOYSA-N 442.450 5.100 30 20 IKED C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 437890744 RBLCCCQJYHKPIQ-XDHUDOTRSA-N 442.494 5.565 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 438082153 SGTUBGUMFSYIFQ-FYYLOGMGSA-N 446.938 5.618 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N(Cc2csc(Br)c2)C2CC2)c1 443850530 GKHUDULSMPCYOW-UHFFFAOYSA-N 442.285 5.180 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)c1C#N 445573995 YEFWODLDGHBWPR-UHFFFAOYSA-N 447.564 5.011 30 20 IKED CO[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(Cl)cc1 461023852 KEKYJXJNANNAPN-JOCHJYFZSA-N 436.964 5.621 30 20 IKED Cc1nnc(-c2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cc2)o1 462108337 FCXOHRJCVQILDV-NRFANRHFSA-N 428.879 5.606 30 20 IKED CC(C)(C)n1cc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c(-c2ccccc2Cl)n1 464424038 GHDRNXLRVJSHIJ-HNNXBMFYSA-N 446.860 5.862 30 20 IKED N#C[C@@H](C(=O)c1cc2ccccc2n1Cc1ccccc1F)c1cc(C(F)(F)F)ccn1 464430022 XULOROUFKDWRIY-GOSISDBHSA-N 437.396 5.733 30 20 IKED COc1ccccc1[C@]1(C)C[C@H]1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 466059657 SUOVDARIAGZNHP-VPUSJEBWSA-N 441.531 5.192 30 20 IKED Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 470266433 YWCDQHYVFBMRTF-IZZNHLLZSA-N 426.516 5.096 30 20 IKED Cc1ccccc1-c1nc(CSCC(=O)Nc2ccccc2S[C@@H](C)CC#N)no1 471434913 FJHYDKPARPDTIF-INIZCTEOSA-N 438.578 5.311 30 20 IKED Cc1c(I)cccc1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 472398467 RKGAPCGWVRDVPV-OAHLLOKOSA-N 444.297 5.213 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCCC[C@@H]2c2ncc(-c3ccccc3)[nH]2)c1 473220484 KRAGILFEUCHWQX-XMMPIXPASA-N 428.536 5.251 30 20 IKED CCCOc1ccccc1Oc1ncccc1CNC(=O)C(C)(C)Oc1ccc(C#N)cc1 480497366 FVSWEESGSHPIDO-UHFFFAOYSA-N 445.519 5.008 30 20 IKED O=C(C[C@@H](c1ccccc1)C(F)(F)F)Nc1cccc(COCC(F)(F)C(F)F)c1 482982219 HJDFCMIJLKPLSZ-INIZCTEOSA-N 437.355 5.778 30 20 IKED C=CCOc1ccccc1C(=O)N1CCC(c2nc(-c3ccccc3OC)cs2)CC1 483040760 AEVLSDYRNXUFSG-UHFFFAOYSA-N 434.561 5.403 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 483331791 UEOYBDMDVHDSMN-JCTONOIOSA-N 448.636 5.599 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3cc4ccccc4o3)o2)c1 484731171 VSVZLKAZLFGMCY-UHFFFAOYSA-N 432.505 5.139 30 20 IKED C=CCn1c(S[C@H](C)c2nc(C(C)(C)C)no2)nnc1-c1ccc(Br)cc1 484887357 ZOQFIGFXNADXSC-GFCCVEGCSA-N 448.390 5.427 30 20 IKED Cc1ccc(-c2ccc(C)c(NC(=O)C(=O)Nc3ccccc3S[C@@H](C)CC#N)c2)o1 484973118 JIGPWTCTJMIXEP-KRWDZBQOSA-N 433.533 5.535 30 20 IKED CC[C@@H](C)n1ncc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C 485097792 XYXABXDKVKZOQQ-FOIQADDNSA-N 449.942 5.049 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H](COC)c2ccc(Cl)cc2)cc1 488402519 ZBDTWHSNDSQCCK-JOCHJYFZSA-N 441.959 5.006 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ncon2)cc1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 499573330 KBAHTMWTQAXYJS-WGERFFLFSA-N 430.533 5.151 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)cc1C 500991928 WBGIZYALVTYTSP-KRWDZBQOSA-N 440.469 5.590 30 20 IKED CC(C)c1nc([C@H]2CCCCCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)no1 501364921 RPYREDCWXPKZNK-SJLPKXTDSA-N 427.574 5.736 30 20 IKED Cc1cccc(Oc2ccc(NC(=O)Cn3cc(C#N)c(=O)c4cc(Cl)ccc43)cc2)c1 502838569 BSDKJGWRDHTQKL-UHFFFAOYSA-N 443.890 5.266 30 20 IKED Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)[C@H]1CCC[C@H](C)C1 503293610 AJGOIHMGPIZPDO-VAXXYWNWSA-N 449.620 5.623 30 20 IKED COc1ccc(OC)c([C@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 503908210 GJMCPTNLRWCMMT-SFHVURJKSA-N 445.519 5.232 30 20 IKED Cc1noc(C)c1CSc1ccccc1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 504013166 NDTJXVLHYVWRRS-UHFFFAOYSA-N 429.545 5.385 30 20 IKED COc1ccc(OCCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 504068953 LDLJYAPDMKYBGB-JOCHJYFZSA-N 435.911 5.205 30 20 IKED Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1CNCCCCC#N 504163265 QZTMXXXJWFKHBK-UHFFFAOYSA-N 439.357 5.519 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2cccc3cccnc23)cc1Cl 505599001 HIUNYUJDSYMOGO-QHCPKHFHSA-N 440.934 5.908 30 20 IKED N#C[C@@H](NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccccc1Cl 505630395 GHWWQQWLGHWPRU-GOSISDBHSA-N 431.801 5.541 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCc2cccc3[nH]ccc23)cc1 508629494 NXAWYKROQWLYIQ-UHFFFAOYSA-N 426.495 5.133 30 20 IKED N#Cc1ccc(-c2ccccc2)nc1SCC(=O)N[C@@H](c1ccccc1)c1cccs1 510211961 SXQRBFXXNHNFFX-DEOSSOPVSA-N 441.581 5.680 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 510453416 AZXSQVDQJALJCZ-UHFFFAOYSA-N 437.437 5.419 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC(Cc4ccc(F)cc4)CC3)s2)cc1 510621208 FEVIISVWBSPEFK-UHFFFAOYSA-N 434.540 5.231 30 20 IKED C=CCN(Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1)Cc1cccs1 510842026 NMJLUPHRIXUUQR-UHFFFAOYSA-N 425.623 6.003 30 20 IKED CN(C(=O)Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1)c1ccccc1 512686636 WHBQTQWGYCUXGQ-UHFFFAOYSA-N 445.522 5.683 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc(C)c1OCc1cccnc1 512936802 CQOFUTLIZVEAEN-OAQYLSRUSA-N 440.528 5.286 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCC(OCCc3ccccc3)CC2)c1 513223827 OINRSXJWAOCMIB-UHFFFAOYSA-N 440.543 5.001 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc(F)c(Br)c(Cl)c2)c1C 513312212 MLHFLMKLYDXXMQ-UHFFFAOYSA-N 447.695 5.168 30 20 IKED Cc1cccc(-n2ncc(C(=O)Nc3cccc(C#Cc4ccccn4)c3)c2C(F)(F)F)c1 514983183 RLGLETNJALHVMB-UHFFFAOYSA-N 446.432 5.247 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(F)cc2Br)cc1 517346910 VTMKQEYATULPIH-UHFFFAOYSA-N 429.220 5.644 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1 517605589 MEPOQWQCXNRHDY-JOCHJYFZSA-N 436.298 5.439 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c2)cc1 517901244 SUWMJGQUTRJYEE-UHFFFAOYSA-N 438.487 5.298 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccc(Cl)cc4)n3)n2)cc1 518516428 BNQVCZQEWNXTND-KRWDZBQOSA-N 446.944 5.949 30 20 IKED Cc1ccc(C(=O)CCC(=O)CCC(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)s1 518848898 ISTATRNSWDNPTB-KRWDZBQOSA-N 437.348 5.057 30 20 IKED C[C@H]1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C[C@H](c2ccccc2)O1 520405373 CGYYWNNRXNBWTB-YADARESESA-N 428.557 5.453 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N(Cc1ccccc1F)c1ccccc1F 520637118 UTIRGWVJXNHDCH-UHFFFAOYSA-N 436.458 5.237 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(N4CCCC4)c(F)c3)c2)cc1 520714150 GDKYXMWXMWXZNP-UHFFFAOYSA-N 429.495 5.323 30 20 IKED CCc1nc(COc2ccc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)cc2)no1 522302588 JBGDYBNJCBBVTR-UHFFFAOYSA-N 440.459 5.127 30 20 IKED C[C@@H]1CN(c2ccccc2NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@@H](C)O1 524500421 NBEWBQJJWAHNEU-WOJBJXKFSA-N 441.531 5.003 30 20 IKED COc1ccc(Br)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 525283929 HEMREMXJMLLFOK-MRXNPFEDSA-N 427.323 5.380 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 530462478 NBLPOHZYRRUJFY-RPBOFIJWSA-N 426.520 5.226 30 20 IKED O=C(Nc1cc(F)ccc1O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 531134980 FFLBSUMJNXKLCQ-UHFFFAOYSA-N 433.283 5.007 30 20 IKED N#CCCSc1ccccc1NC(=O)c1ccc(Br)cc1C(F)(F)F 538443279 FKFRKYCYFMEGBU-UHFFFAOYSA-N 429.261 5.726 30 20 IKED CN(C(=O)c1cc(O)nc2ccc(F)cc12)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 541250993 DUCDGJACRVTAQZ-KRWDZBQOSA-N 446.322 5.474 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCOc2ccc(Br)cc2C1 549003799 MQRJSPMVACTQOX-UHFFFAOYSA-N 429.358 5.728 30 20 IKED O=C(Nc1ccc(F)c(C(F)(F)F)c1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 549388158 BPDIEWHCLPONSU-MRXNPFEDSA-N 448.338 5.069 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3ccc4nc(C(F)F)sc4c3)CC2)c(F)c1 552378607 IKCPUDPZXPIBFG-UHFFFAOYSA-N 430.455 5.100 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 554447090 PRRDTQYBEVPCHK-UHFFFAOYSA-N 429.524 5.738 30 20 IKED N#CCCC[C@H](NCc1cnc(-c2ccc(Br)cc2)s1)c1ccccc1 556907922 GQGWDCRLEPPGTJ-FQEVSTJZSA-N 426.383 6.097 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(OC(C)C)CC1 559023418 LLGFNHHZJVLLBT-FQEVSTJZSA-N 434.584 5.541 30 20 IKED CC[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(OC)c(OC)c1 562109902 UPFAPWLFWPXJOC-OAQYLSRUSA-N 432.480 5.036 30 20 IKED C[C@H](NC(=O)N1CCC[C@@H](OCC(F)(F)F)C1)c1ccc(-c2cccc(C#N)c2)cc1 567075958 JEPXVIFUYDRMOF-HRAATJIYSA-N 431.458 5.039 30 20 IKED C[C@@H](NC(=O)N1CCC[C@@H](OCC(F)(F)F)C1)c1ccc(-c2cccc(C#N)c2)cc1 567075960 JEPXVIFUYDRMOF-IIBYNOLFSA-N 431.458 5.039 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccc(F)cc1)C1CC1 577896214 UXYPSQBMLWKLFI-UHFFFAOYSA-N 429.495 5.781 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1Oc1ccncc1 578812154 WKFCZJOKWKSVKX-NRFANRHFSA-N 436.496 5.668 30 20 IKED CC(C)(CCC#N)CNC(=O)[C@@H](Oc1ccc(F)cc1Br)c1ccccc1 581389553 IAUFOFOWGQZDNU-IBGZPJMESA-N 433.321 5.154 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(F)cc1OC1CCOCC1 584548245 SANLFIFLWITRKI-HNNXBMFYSA-N 429.517 5.422 30 20 IKED CC(C)(C(=O)NCc1ccc(C#N)c(Cl)c1)c1csc(-c2cc(F)ccc2F)n1 589515852 OJGZMARWBNVABU-UHFFFAOYSA-N 431.895 5.207 30 20 IKED CN(Cc1ccc(F)cc1Cl)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 593513476 HZKLNKXOIVNRDP-GHMZBOCLSA-N 434.783 5.530 30 20 IKED CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)Nc3cccc(OCCCC#N)c3)c12 603972390 ZYCZPPJGSIUZHJ-UHFFFAOYSA-N 432.524 5.624 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3csc(-c4ncccn4)n3)cc2Cl)cc1 604026304 CAIWCRTXZZZPIT-UHFFFAOYSA-N 433.880 5.170 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)cc2Cl)cc1 604027157 KBCNTFCPTARZRD-SFHVURJKSA-N 435.842 5.208 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 604257982 SAJLCCWKYLTRBN-GJZGRUSLSA-N 426.360 5.428 30 20 IKED CC(=O)N[C@H](CC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(Cl)cc1 609177027 ZMHMSPNLQFFSRS-HSZRJFAPSA-N 433.895 5.210 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609185387 WSVHWFOUROAQAF-UHFFFAOYSA-N 437.952 5.327 30 20 IKED N#CCN1CCC(NC(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)CC1 609330396 OGANKJUTUOXSGJ-UHFFFAOYSA-N 439.968 5.096 30 20 IKED CCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)Cc1cccc(Br)c1 609385240 IJNNMCVDOKTIMO-MRXNPFEDSA-N 446.414 5.161 30 20 IKED Cc1ccc(NC(=O)NC(=O)[C@@H](C)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(C)c1 609432506 VCIZMHGLMKNMAM-GOSISDBHSA-N 428.492 5.116 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccc(F)cc2)cc1 609435088 OIOMYHMNDOHZJW-XDHUDOTRSA-N 449.551 6.140 30 20 IKED Cc1nc(COc2ccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)cc2)no1 609505161 CLESSKZXOFFSRW-UHFFFAOYSA-N 440.459 5.068 30 20 IKED Cc1cc(C)cc(-c2nnc(NC(=O)c3ccc(COc4ccccc4C#N)o3)s2)c1 609648209 NNMPBSUHXSHAKF-UHFFFAOYSA-N 430.489 5.118 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCC2(c3ccccc3)CCOCC2)c1 609727607 OFWNWWIYVDQGSP-UHFFFAOYSA-N 446.934 5.482 30 20 IKED Cc1csc(-c2cccc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c2)n1 610040092 HLROOIITQKPXMX-UHFFFAOYSA-N 426.501 5.738 30 20 IKED N#Cc1ccc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1C(F)(F)F 610330974 XQVLQVITRGRJNM-UWVGGRQHSA-N 447.301 5.608 30 20 IKED N#CCC[C@@H](NC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1)c1ccccc1 610972646 LQBVAVWHSCRAJU-LJQANCHMSA-N 437.341 5.043 30 20 IKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(CN[C@H](C)c2cccc(C#N)c2)cs1 611386602 PLXWGIMBWAIRAM-CYBMUJFWSA-N 445.375 5.857 30 20 IKED CC(C)n1ncc2cc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cnc21 613403104 BNLPKSARMOAPKW-AWEZNQCLSA-N 429.427 5.131 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@H]1Cc1ccc(Br)cc1 725854878 ZCDHGMBKLFCEKI-SFHVURJKSA-N 429.362 5.116 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccc(Cl)c(Cl)c3)n2)cc1 726325580 RAJKMDSSXKDJER-MRXNPFEDSA-N 426.328 5.798 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12 726755952 PHAIBVWKVGXHDK-UHFFFAOYSA-N 446.485 5.790 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCCc2cc(OC(F)F)ccc21 731031367 SHFZCRDXEXWCIS-HNNXBMFYSA-N 431.508 5.074 30 20 IKED CCCCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 731400451 OJQMVAZHUCZKOK-RBUKOAKNSA-N 430.618 5.021 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)[C@H](Sc2ccccc2)c2ccccc2)ccc1OC 733230270 NKVHCJMFVSNJRL-SQJMNOBHSA-N 446.572 5.526 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)c1 733770777 GRVHJVLWDLUAFT-FQEVSTJZSA-N 430.470 5.515 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)c1 733799449 NRNCPRTVCSPGCZ-GOSISDBHSA-N 440.956 5.390 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC(c3cccc4ccccc34)CC2)c1 733804837 IZGOWAQAFNDXQE-QHCPKHFHSA-N 427.548 5.610 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)c1 733807034 QFADCHRQAAOQQU-BVAGGSTKSA-N 425.532 5.225 30 20 IKED C=CCN(C(=O)CCC(C)(C)NC(=O)OC(C)(C)C)c1nc(-c2ccccc2)cs1 737473066 UXOALADSFUTYBD-UHFFFAOYSA-N 429.586 5.413 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1nc(-c2ccccc2F)oc1C 737475333 HIEYSPRLSSGHAE-UHFFFAOYSA-N 445.244 5.041 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@H]3c3ccccc3OC(F)(F)F)n2)cc1 741431697 STUWWUBOCTVQGT-RCCFBDPRSA-N 442.462 5.997 30 20 IKED COc1cc(/C=C\C(=O)c2c(F)cccc2N2CCOCC2)ccc1OCc1ccccc1 741448424 ZAHWZPIEIDQJSZ-BENRWUELSA-N 447.506 5.146 30 20 IKED C#CCOc1ccc(F)cc1NC(=O)c1ccc(COc2cccc(Br)c2)o1 741643541 FGYXCRNBLRPVFA-UHFFFAOYSA-N 444.256 5.025 30 20 IKED COc1ccc2c(c1)C(=O)/C(=C\c1csc(N(C(C)=O)c3ccc(F)cc3F)n1)CC2 741848913 RAXSYAOIOUBUEM-DHDCSXOGSA-N 440.471 5.327 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 743224163 BEXQYVPIGGKXSG-GOSISDBHSA-N 436.556 5.588 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)C(C)(C)c3ccc4ccccc4c3)n2)cc1 744062179 RSICNOMNDWTOMW-JOCHJYFZSA-N 426.541 6.126 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(-c3ccncc3)cc2)cs1 745990229 OKAKSQFTOJRFCT-XFXZXTDPSA-N 439.540 6.094 30 20 IKED N#CCn1cc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)cn1 747434490 SEMRMNKTEBACIS-UHFFFAOYSA-N 444.498 5.179 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)CC(Cc3ccccc3)Cc3ccccc3)o2)c1 753535345 OSXQIHFQXNXJKA-UHFFFAOYSA-N 437.499 5.143 30 20 IKED COc1cc(/C=C/C(=O)c2ccc3c(c2)CCC(=O)N3C)ccc1OCc1ccc(F)cc1 754690411 VFHIADVQSQZTIS-LFYBBSHMSA-N 445.490 5.218 30 20 IKED CN(C(=O)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1)c1ccccc1 757409310 LIUWOJYPYAIFQZ-DEOSSOPVSA-N 447.494 5.078 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl 760789142 IGPAKYQWOCLYGO-UHFFFAOYSA-N 428.794 5.867 30 20 IKED CN1C/C(=C/c2nc3ccc(F)cc3s2)C(=O)/C(=C/c2nc3ccc(F)cc3s2)C1 761473959 JXVDMBQEOUMOCJ-VOFKWTQNSA-N 439.512 5.166 30 20 IKED C[C@@H](OC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1nc(-c2cccnc2)no1 761489494 YOGRKVMBWRNIGB-CQSZACIVSA-N 446.850 5.367 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)c3ccc(Br)cc3)n2)cc1 766623758 DHKOOPIPPYJMAK-ACJLOTCBSA-N 441.350 5.561 30 20 IKED Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)ccc1NC(=O)OC(C)(C)C 772066502 SKUVRTYZKYBXQJ-UHFFFAOYSA-N 447.457 5.418 30 20 IKED CC(=O)N(c1nc(COC(=O)/C=C\c2ccccc2C#N)cs1)c1cccc(C)c1C 775086488 WKIGNDMVUALTLG-QXMHVHEDSA-N 431.517 5.073 30 20 IKED COC(=O)Nc1ccc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F 783146316 HOAWRTDEKDZEQH-IUCAKERBSA-N 445.335 5.035 30 20 IKED COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)NCc2ccc(OCC#N)cc2)c1 784267927 RAWILGHNRFFEMG-FTJBHMTQSA-N 441.531 5.038 30 20 IKED CC[C@H](Cc1ccccc1)N(CC)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 785028430 OVXXGJNBNVGEEN-FTJBHMTQSA-N 439.559 5.150 30 20 IKED O=C1/C(=C/c2ncc(C(F)(F)F)s2)CSC/C1=C\c1ncc(C(F)(F)F)s1 788348519 FVWPWWMBTYRLRC-FACPPWRESA-N 442.431 5.420 30 20 IKED N#CCCn1cc(C(=O)COC(=O)C2c3ccccc3Oc3ccccc32)c2ccccc21 790081724 KLYHEBWKVXCROB-UHFFFAOYSA-N 436.467 5.219 30 20 IKED COCCCC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 791751407 PCFZXMCHPNUCTQ-UIOOFZCWSA-N 427.548 6.022 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3CCC[C@H]3c3ccccc3C(F)(F)F)CC2)c(F)c1 796086522 HAZRBPCTYBNGNQ-NRFANRHFSA-N 445.460 5.296 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H](O)c3ccc(C(F)(F)F)cc3)cc2)cc1 806233780 XGEZKTSIPCEJNO-NRFANRHFSA-N 441.409 5.224 30 20 IKED COc1ccc([C@H](O)C2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)cc1 812936707 UQVMGISIDTULTJ-HXOBKFHXSA-N 439.581 5.067 30 20 IKED N#Cc1cccc([C@@H]2C[C@H]2c2nc(-c3cc(Br)cc(Br)c3)no2)c1 904914795 PZUPVOUHSIXDLY-JKSUJKDBSA-N 445.114 5.404 30 20 IKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1Cl 916897622 MVDCACYIDBHJTJ-HXUWFJFHSA-N 448.906 5.197 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2sc3ccccc3c2s1 916928398 KJVXGPSDMUGENQ-GFCCVEGCSA-N 445.352 6.384 30 20 IKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1nc2cc(Cl)ccc2s1 917042348 AEUVGINKHXPGMN-YOEHRIQHSA-N 438.940 5.070 30 20 IKED C=CCn1c(Cc2ccccc2)nn(CN(Cc2ccc(F)cc2F)C2CC2)c1=S 917475279 KHYVQAMGSMCSNJ-UHFFFAOYSA-N 426.536 5.091 30 20 IKED Cn1ccnc1COc1ccc(C(=O)/C=C\c2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 917517581 IZBNKIJMSRBJBQ-BENRWUELSA-N 445.500 5.532 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(CC(=O)O)cc2)cs1 917560334 MBZROQDGXVHCAJ-FLIBITNWSA-N 440.908 5.004 30 20 IKED CCOc1cc(/C=C\C(=O)c2cc3ccc(N(CC)CC)cc3oc2=O)cc(Cl)c1O 917615044 FWDNBVUIZLIRKA-YFHOEESVSA-N 441.911 5.293 30 20 IKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 918486634 JTKLXGDNLWAQGF-ZDUSSCGKSA-N 445.327 5.692 30 20 IKED Cc1ccc(C(=O)c2c(NC(=O)CCc3c(C)nc(O)c(C#N)c3C)sc(C)c2C)cc1 1458651166 NJVAJUMUOBIVPM-UHFFFAOYSA-N 447.560 5.065 30 20 IKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1786395880 MJUNECWHEZPBLI-VGOFRKELSA-N 435.593 5.016 30 20 IKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Oc4ccccc4)cc3)CCC2)cc1 1787889346 YBMKIZHIHLIQRR-UHFFFAOYSA-N 439.515 5.530 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccnc(C(C)(C)C)c3)CC2)C1 1804858533 OTXCQQIFNLAUCD-UHFFFAOYSA-N 439.644 5.216 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(C)cccc3[nH]2)[nH]n1 1819555097 ZEQFVAIXFYKFSD-QFIPXVFZSA-N 447.583 5.498 30 20 IKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2-c2ccc(C)cc2)n[nH]1 1821225487 FYOJUXVZYFWDTC-DEOSSOPVSA-N 440.547 5.104 30 20 IKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)[nH]n1 1822393716 CYSXUSPVJUHUBW-IBGZPJMESA-N 434.565 5.042 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccccc3)CC2)CC1 1823778250 QTXMVGKGINKCQE-RUZDIDTESA-N 434.624 5.106 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3ncccc3c2)CC1 1824142295 MSQFPAARGITMGC-SANMLTNESA-N 445.607 5.237 30 20 IKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CC3CCCC3)CC2)c1Cl 1826263104 OKYFXSGKTMZVSB-QFIPXVFZSA-N 442.003 5.025 30 20 IKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 1828456916 ZELFEBRZPSORFJ-NZURDFQBSA-N 448.717 5.167 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 26037022 IEZDUMLFHISZCR-UHFFFAOYSA-N 430.348 5.543 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 64271459 FJTASKNSODNNOK-UHFFFAOYSA-N 445.906 5.157 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccccc1F 195569444 PHIBMCRANLAEGE-QGZVFWFLSA-N 438.572 5.821 30 20 IKED Cc1noc2nc(C(C)C)cc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c12 195586671 NSIJIBNKNIIPOX-UHFFFAOYSA-N 442.494 5.508 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c1 195662801 GIORSUQFYMHBKW-QFIPXVFZSA-N 436.496 5.146 30 20 IKED COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)ccc21 303416503 WQNBIDBKGIUWKF-LJQANCHMSA-N 430.335 5.206 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 426449136 GGRHAZFGIIZBPG-UHFFFAOYSA-N 434.477 5.076 30 20 IKED CC(C)c1n[nH]c(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1 428352497 QHZMYTKILBEWAB-GFCCVEGCSA-N 434.306 5.359 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2cscc2Br)cc1 432654194 OZRHCKLRNAGTIF-UHFFFAOYSA-N 441.350 5.337 30 20 IKED N#CCCCOc1cccc(NC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)c1 435028229 PPKHHHPJKCBXEM-UHFFFAOYSA-N 446.290 5.495 30 20 IKED CCn1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C(F)(F)F)n1 436127788 GGZYHCLORCXBQI-INIZCTEOSA-N 432.833 5.483 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(Cc1cccc(F)c1)C1CCCC1 437458644 ABCFSQNCANLQJM-QGZVFWFLSA-N 439.556 5.130 30 20 IKED COc1ccccc1CN(C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C1CC1 438649651 OBZZGRFIHPEHNF-UHFFFAOYSA-N 431.467 5.695 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c1 441229357 SULYFEZNEXTJDU-INIZCTEOSA-N 431.830 5.058 30 20 IKED COc1ccccc1-c1ccc(CN(Cc2nnc(-c3cccc(C#N)c3)o2)C(C)C)cc1 441470071 TVTSWGXKQWWYCN-UHFFFAOYSA-N 438.531 5.694 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(-c4csc(C)n4)c3)n2)cc1 442877003 QJSNNTXXLNCPCP-LJQANCHMSA-N 431.542 5.741 30 20 IKED C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC2(CCOCC2)[C@H]1C 460574998 ODWPUWMBYXMTTQ-LJQANCHMSA-N 449.624 5.349 30 20 IKED Cc1ccc([C@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)cc1 461673637 WDSYJTLSUMMTCY-DNQXCXABSA-N 427.552 5.036 30 20 IKED N#Cc1cc(NC(=O)c2ncoc2[C@@H]2CCCO2)ccc1Oc1ccc(C(F)(F)F)cc1 464273626 COCUQPXAHSSZIJ-SFHVURJKSA-N 443.381 5.461 30 20 IKED O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1ccc(F)c(F)c1F 465462430 BUEAUXCYNBZKHJ-UHFFFAOYSA-N 430.279 5.701 30 20 IKED C[C@H](CCc1ccc(OC(F)F)cc1)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469080352 PPNLYDSXCCPSPH-QGZVFWFLSA-N 427.495 5.304 30 20 IKED Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 470266434 YWCDQHYVFBMRTF-UIOOFZCWSA-N 426.516 5.096 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C(=O)OC)c1ccccc1C 474938804 QOEHETCPNSOQIM-FQEVSTJZSA-N 443.956 5.011 30 20 IKED C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 480282691 JQMSZWMVZHUTPX-AUUYWEPGSA-N 430.430 5.005 30 20 IKED C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1nc2ccccc2[nH]1 481692402 XVPOWAFBFPOMDN-HNNXBMFYSA-N 429.455 5.035 30 20 IKED N#CCC[C@H](NC(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccccc1 482427552 XGSKEFCNCVKKRH-DOTOQJQBSA-N 427.373 5.236 30 20 IKED O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)Nc1cccc(COCC(F)(F)C(F)F)c1 483456214 OZXUWBGKZQSFRR-ZFWWWQNUSA-N 444.391 5.594 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)c1cc(F)ccc1Cl 485119696 IWJVIIJDNSTGPN-UHFFFAOYSA-N 430.888 5.039 30 20 IKED CCN(C(=O)c1coc(-c2ccc(Br)cc2F)n1)[C@@H](C)c1ccc(C#N)cc1 487718508 WOYXXBQJUSXNAP-ZDUSSCGKSA-N 442.288 5.338 30 20 IKED C=CCN(C(=O)Cc1ccccc1OC(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 499312437 CCCVZWKCFHFWJZ-UHFFFAOYSA-N 437.521 5.267 30 20 IKED Cc1ccc(-n2nc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)c3c2CCC3)c(F)c1 499603002 PYXYIOKZUVFFES-SFHVURJKSA-N 442.519 5.422 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1-c1cccc(C)c1 501245745 YNLGJGIUNOJQIL-HNNXBMFYSA-N 437.956 5.996 30 20 IKED Cc1ccccc1CN(Cc1cccnc1)C(=O)Nc1ccccc1S[C@@H](C)CC#N 503227693 WVUWEYXQNVQGFK-FQEVSTJZSA-N 430.577 6.019 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2(c3ccc(OC)cc3)CCCC2)cc1 503264375 FOXBEEVMABZIIZ-UHFFFAOYSA-N 433.552 5.100 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cccc(OCc3cscn3)c2)cc1 505060236 DTUIKQDSQIKUHQ-UHFFFAOYSA-N 441.512 5.425 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 508274904 OBODKVMJCKBSAK-UHFFFAOYSA-N 443.503 5.588 30 20 IKED C=CCn1c(Cc2ccccc2Cl)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 508929018 DTPRCHYHUJFFLJ-UHFFFAOYSA-N 438.803 5.029 30 20 IKED CCN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[C@@H](C)c1ccc(C#N)cc1 509617488 LEGACFIRKXWECR-SFHVURJKSA-N 428.492 5.302 30 20 IKED COc1cc(C)c([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC 510675501 QRDKRDFPDAOWTP-KRWDZBQOSA-N 431.492 5.559 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 511563817 CSKNEICXRNENEP-SFHVURJKSA-N 425.382 5.125 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(Cc2cccc(Cl)c2)n1 512278263 JBGWFGXCNOMPRC-UHFFFAOYSA-N 437.996 5.486 30 20 IKED CCCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1OCC 513191022 BQAVFIBHWCDKSC-OAHLLOKOSA-N 440.849 5.821 30 20 IKED CN(C[C@@H]1OCCc2ccccc21)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 513984687 GASQLZDUMGNUSV-SANMLTNESA-N 441.531 5.109 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)n1 516345499 QISXKQMMKZOXSQ-SFHVURJKSA-N 443.484 5.132 30 20 IKED Cc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1NC(=O)c1ccco1 518232807 XQAOMVJGYUUJIV-UHFFFAOYSA-N 437.455 5.757 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(-c2ncc(C)o2)c1 518258950 DCJLIKZMTLHCHL-UHFFFAOYSA-N 444.304 5.772 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccccc3SCCC#N)c12 518647705 BQGWDRHWMMFLHL-UHFFFAOYSA-N 435.597 5.876 30 20 IKED Cc1nc(-c2cccs2)sc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 520432770 QABFJFRLPQJJIE-LLVKDONJSA-N 443.525 6.072 30 20 IKED C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 521733821 HOCDOFLBDZWGQA-CXAGYDPISA-N 447.482 5.558 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)CC1 522086874 ZOPLNRMDNBOYRI-UHFFFAOYSA-N 444.413 5.230 30 20 IKED C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)c1occc1COc1cccc(C#N)c1 523273419 HPUZOSHSCWACSE-HXUWFJFHSA-N 443.547 5.035 30 20 IKED CC(C)(C#N)CCCSCc1coc(-c2ccc(I)cc2)n1 535997556 AVCBPDIWJYBXSU-UHFFFAOYSA-N 426.323 5.509 30 20 IKED N#CC1(c2ccc(C(=O)Nc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)cc2)CC1 538586051 WKSNHFMLYNWQOC-UHFFFAOYSA-N 430.895 5.791 30 20 IKED N#Cc1c(NC(=O)c2ccc(Br)cc2C(F)(F)F)sc2c1CCCCC2 539551474 ZCSWGJINISHEHX-UHFFFAOYSA-N 443.288 5.922 30 20 IKED C[C@H](NC(=O)Nc1ccc(CN2CCCC2=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 541086672 TVWQUFFHIOKJKM-IBGZPJMESA-N 438.531 5.230 30 20 IKED C[C@@H](CN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nccs1 543278486 XSFXSUOGMFASPY-AWEZNQCLSA-N 426.929 5.728 30 20 IKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 543885150 ULTUOCUNOZSHFO-ZDUSSCGKSA-N 436.928 5.232 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)N3CCC(OCc4ccc(Cl)c(Cl)c4)CC3)CC2)c1 552348796 OBQPVHWPEGXBIY-UHFFFAOYSA-N 447.337 5.244 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(F)cc3OC3CCOCC3)c2)cc1 553289750 KIVNMBUGVAPAQJ-UHFFFAOYSA-N 431.467 5.251 30 20 IKED Cn1nccc1C1=CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 554419598 RWDAPIJPSRPBHM-UHFFFAOYSA-N 433.899 5.059 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccc(OC(F)F)c(F)c1 555363903 RSUZBIYMPWYUSH-UHFFFAOYSA-N 425.300 5.096 30 20 IKED CC1CCN(c2cccc(NC(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)c2)CC1 562203181 TYWHTIPIYNBJAK-UHFFFAOYSA-N 436.531 5.009 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@](F)(c2ccccc2)C1 565847145 LEAJASSBBUIZRP-SANMLTNESA-N 429.495 5.548 30 20 IKED COc1ccc2c(c1)C1(CC1)CN(C(=O)Nc1ccc(Oc3cccc(C#N)c3)cc1)C2 566589964 JNGCOEDTCJXELN-UHFFFAOYSA-N 425.488 5.438 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 592974185 PHKJVADGVGSWOD-MRXNPFEDSA-N 438.915 5.441 30 20 IKED COc1cc(C(=O)Nc2ccccc2C#N)ccc1OCc1ccc(Cl)cc1Cl 598543967 JFJJZJGUEFHTCQ-UHFFFAOYSA-N 427.287 5.705 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)NCc3ccc(F)cc3C(F)(F)F)s2)cc1 603649109 WSIXPPSMMZSBQA-UHFFFAOYSA-N 434.418 5.085 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 603738423 AZIMHDORAKSFAT-OALUTQOASA-N 437.421 5.815 30 20 IKED COc1cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)ccc1OCC(C)C 604100575 IPZPSTKQCOHERV-UHFFFAOYSA-N 431.492 5.350 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C)c(Oc4ccncc4)c3)n2)cc1 604690946 QSUHZGCCUIHJBE-OAQYLSRUSA-N 425.513 6.104 30 20 IKED COc1cccc(F)c1[C@H](C)NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 608458669 CWJOQEIJXZBCQN-NNYUYHANSA-N 430.364 5.104 30 20 IKED COc1cccc(F)c1[C@@H](C)NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 608458670 CWJOQEIJXZBCQN-WYUUTHIRSA-N 430.364 5.104 30 20 IKED Cc1cccc(CN(Cc2ccco2)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1 609056911 WZVLDDXQIWTFDV-UHFFFAOYSA-N 426.472 5.474 30 20 IKED COc1ccc(CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC 609062009 QXNVVYZIJKDUBA-UHFFFAOYSA-N 430.504 5.034 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC 609078573 AMHONTXXSZWEKR-UHFFFAOYSA-N 445.519 5.127 30 20 IKED COc1ccc2c(c1)CCCN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)c(F)c1)C2 609137485 FNZRZSGIKDRWRL-UHFFFAOYSA-N 445.494 5.265 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 609377136 PKNCYDNRKDTTGP-SJORKVTESA-N 436.606 5.403 30 20 IKED CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1SC[C@@H](C)C#N 609377959 SFVWTUOQRGUISK-CKJXQJPGSA-N 444.000 5.375 30 20 IKED Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 609386961 APJTUXRPSZBJEM-JKSUJKDBSA-N 435.515 5.697 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(N2c3ccccc3C[C@H]2C)CC1 609401995 QTULSCKYFTZSMN-RBUKOAKNSA-N 434.609 5.386 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 609438119 BZUWUILWHOTIGE-UTKZUKDTSA-N 443.016 5.693 30 20 IKED COc1cccc([C@@H](CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)N2CCCC2)c1 609438153 DDAXVMDCJJIRCB-PGRDOPGGSA-N 438.597 5.048 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)nc1 609497230 TUXIFRRWENDORB-UHFFFAOYSA-N 431.455 5.541 30 20 IKED CC(C)C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1nc2ccccc2[nH]1 609497813 LZJLKAXCUOZKKU-QFIPXVFZSA-N 425.492 5.139 30 20 IKED CC(C)CNC(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 609501374 JBXFZCVTUVMXPC-UHFFFAOYSA-N 427.504 5.183 30 20 IKED C[C@H](C#N)CN(C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F)C1CC1 611096785 HFBJHSCEXGDZPA-CQSZACIVSA-N 430.430 5.114 30 20 IKED CC[C@H](C)c1ccc2nc(N(Cc3ccccc3)C(=O)Cn3ccnc3C#N)sc2c1 611290927 SIAQNTCCPURRTC-KRWDZBQOSA-N 429.549 5.111 30 20 IKED C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612804183 DAGPYIQPNOLLLS-XEZLXBQYSA-N 432.355 5.577 30 20 IKED N#C[C@@H](C(=O)c1ccc(Br)s1)c1nc2cc(C(F)(F)F)ccc2s1 613403460 CZTJAXUFWPTUEJ-QMMMGPOBSA-N 431.258 5.629 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 618733401 JVZXYCVTDAFEDC-LJQANCHMSA-N 441.318 5.041 30 20 IKED C[C@H](c1nnc(-c2ccccc2F)s1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 669927917 SONGSFNDJPNJRK-GMTAPVOTSA-N 427.389 5.468 30 20 IKED C#Cc1cccc(N2C(=O)/C(=C/c3ccc(OCC(F)(F)F)c(OC)c3)SC2=S)c1 726627234 PJGAYDVCDRSSEH-WQRHYEAKSA-N 449.475 5.023 30 20 IKED N#C[C@H](C(=O)Cc1coc(-c2cccs2)n1)c1nc(-c2ccc(Cl)cc2)cs1 730072700 ZPDAXECHBSJWPK-OAHLLOKOSA-N 425.922 5.599 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c1 733772721 FYZXMOGTKWPYDY-OAHLLOKOSA-N 444.318 5.568 30 20 IKED CC[C@H](Cc1cccc(Br)c1)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 735400878 YRYPADTXQRTYJQ-CZUORRHYSA-N 431.330 5.643 30 20 IKED C#CCOc1ccc(F)cc1NC(=O)CSc1ncnc2scc(-c3ccccc3)c12 741642658 SIBPVNCSQMSQDT-UHFFFAOYSA-N 449.532 5.240 30 20 IKED O=C(/C=C/c1cc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741844310 SZUDRINIDBOTRN-DHZHZOJOSA-N 436.476 5.647 30 20 IKED C[C@@H](C#N)Oc1ccc(/C=C(\CC(=O)O)c2nc3cc(Br)ccc3s2)cc1 742437485 UMPWUURNEMMIIB-ACLQVGRQSA-N 443.322 5.365 30 20 IKED C#Cc1cccc(NC(=S)N[C@@H](c2ccccc2Cl)c2ccc(OC)cc2OC)c1 743027077 MTUXVGVJVFLEOM-QHCPKHFHSA-N 436.964 5.415 30 20 IKED CC(=O)CCc1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 745313718 VITXFORIIAMZBC-KSSFIOAISA-N 426.925 5.115 30 20 IKED COc1ccc(Cl)cc1C(=O)/C=C/c1csc(N(C(C)=O)c2ccc(F)cc2F)n1 746015308 PXTLDPRRVBEEMY-FNORWQNLSA-N 448.878 5.664 30 20 IKED CC(C)CO[C@H](C)c1noc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)n1 746025918 SNOZVBKWRLXQEV-GCJKJVERSA-N 447.539 5.123 30 20 IKED N#CCn1cc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc(F)cc2)CCC3)cn1 747434272 AFJWUOYKNRIHFE-JXAWBTAJSA-N 437.478 5.223 30 20 IKED COc1ccc(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1OCCCC#N 747472798 CLOJCOKKQKYMEO-WASCAKKMSA-N 438.574 5.340 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 748003555 CIOWJPNWLURUHY-KUHUBIRLSA-N 448.504 5.193 30 20 IKED N#C[C@@H](C(=O)CCCOc1ccccc1Cl)C(=O)Nc1cc(Cl)cc(Cl)c1 748003688 GYTOPCYDAFOMDF-HNNXBMFYSA-N 425.699 5.153 30 20 IKED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CC(=O)[C@@H](C#N)c1nc3ccccc3s1)C2 749024253 YUBSNCYPWRIBJT-YESZJQIVSA-N 425.554 5.041 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(Sc2ccccc2C#N)cc1 749025020 AIRMUXCAANZIFU-FQEVSTJZSA-N 441.512 5.069 30 20 IKED COc1cc(/C=C/C(=O)c2c[nH]c3cc(F)ccc23)c([N+](=O)[O-])cc1OCC(F)(F)F 749454073 VMQJUPPYELZFSQ-GORDUTHDSA-N 438.333 5.061 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2ccc(OCc3ccccn3)cc2)cc1 752476731 BTIVEHSEMYLGET-DFBJGRDBSA-N 441.531 5.064 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1 752619431 ZJQVFKRBCGEJRC-KRWDZBQOSA-N 446.617 5.240 30 20 IKED C=CC[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1)c1ccncc1 752724940 DDWMKWZDMLMJFA-FDDCHVKYSA-N 431.561 5.307 30 20 IKED CC(C)[C@@H](C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(F)cc1 756377599 NLJKYGDPVQIMRS-OPAMFIHVSA-N 428.529 5.141 30 20 IKED C/C(=C\c1cccc(Cl)c1)C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 758889838 YEEYWOFVPATDBD-ASNKMWSDSA-N 428.941 5.319 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)Cc2cccc(OCC#N)c2)c(C(F)(F)F)c1 760444818 HTKOBFWTIWJYQC-UHFFFAOYSA-N 449.429 5.136 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)Nc3ccc(Oc4ccc(Cl)cc4)nc3)CCO2)c1 761841004 BKZDORADKLQGOS-OAQYLSRUSA-N 434.883 5.004 30 20 IKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 761849491 XHVTYLBLFNCTPX-VWLOTQADSA-N 445.494 5.190 30 20 IKED C[C@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 767965399 NKFOEZVVDFYMQS-CYFREDJKSA-N 445.563 5.076 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(OCc3ccccc3F)CC2)cc1 768868657 PDGBKGPVQXJGJE-VWLOTQADSA-N 443.522 5.694 30 20 IKED CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1c(C(F)(F)F)nn(CC)c1C(F)F 769103900 CQOASDGUCBSYRN-UHFFFAOYSA-N 443.338 5.541 30 20 IKED Cc1ccncc1[C@@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1 770573406 BPBMHDDRDYLWTQ-XMSQKQJNSA-N 444.560 5.112 30 20 IKED N#C[C@@H](C(=O)C1(CCOCc2ccccc2)CC1)c1nc(-c2c(F)cccc2F)cs1 770848903 NHSKNDJNZIUEHA-KRWDZBQOSA-N 438.499 5.652 30 20 IKED Cc1ccc([C@@](O)(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C(F)(F)F)o1 773285634 PQINWEITFVTGJI-NRFANRHFSA-N 430.382 5.031 30 20 IKED C=C(C)[C@H](NCc1cc(=O)oc2cc(NC(=O)OCC)ccc12)c1ccc(F)c(F)c1 775723371 KDIQFXWOLYDCTM-QFIPXVFZSA-N 428.435 5.047 30 20 IKED CCCN(C(=O)Cc1cccc(OCC#N)c1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 776966971 RDMFQJLYMQDYCL-AREMUKBSSA-N 431.511 5.002 30 20 IKED N#Cc1cc(N[C@H]2CCCOc3c2ccc(Cl)c3Cl)ccc1N1CCC(O)CC1 777116432 FYHVQNWWJJBLCQ-IBGZPJMESA-N 432.351 5.152 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1csc(-c2cc(Br)cs2)n1 780154619 WVSFHKGSKDQBSO-SNVBAGLBSA-N 434.340 5.177 30 20 IKED N#C[C@@H](C(=O)Cn1c(-c2cscn2)nc2ccccc21)c1nc2cc(Cl)ccc2s1 780315842 ZVRWLOOQPLAHFB-ZDUSSCGKSA-N 449.948 5.299 30 20 IKED N#Cc1ccc(SCc2nnc(-c3ccc(Br)s3)o2)cc1C(F)(F)F 782234396 UIQOQNZFKUJPMD-UHFFFAOYSA-N 446.273 5.743 30 20 IKED CC(C)(C#N)CCCOC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 783984204 RIMISUNKULSJBT-UABBMWSGSA-N 439.440 5.982 30 20 IKED O=C(C[C@H]1SC(=Nc2ccsc2)N(CC2(C3CC3)CC2)C1=O)Nc1ccccc1F 790741783 IRFOWXXUVWPFLP-GOSISDBHSA-N 443.569 5.038 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(C(F)(F)F)cnc1Cl 790879668 UYWFEVBPHGSEJF-UHFFFAOYSA-N 431.801 5.979 30 20 IKED CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 797943578 TXJBKLIMXVHSBZ-LPHOPBHVSA-N 441.940 5.077 30 20 IKED O=C1Nc2cccc(C(F)(F)F)c2C1=NNc1nc2cc(C(F)(F)F)ccc2s1 800814455 WEBMBGGXHBUDHX-UHFFFAOYSA-N 430.333 5.102 30 20 IKED CCCC[C@H](ON=C(C)C)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 803650838 JOBYFIDZYYGMMT-PMACEKPBSA-N 428.495 5.261 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NC[C@@H](O)c3ccc(C(F)(F)F)cc3)c2)cc1 806258330 JYESUSJKUNHZHE-OAQYLSRUSA-N 441.409 5.224 30 20 IKED Cc1sc2ncn(N=Cc3ccc(C#N)cc3C(F)(F)F)c(=O)c2c1-c1ccccc1 811632703 ZPFXJBUTHJIFFW-UHFFFAOYSA-N 438.434 5.206 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1sc2ccccc2c1Br 812955910 SRZPMZWNVOGUHL-UHFFFAOYSA-N 436.334 5.413 30 20 IKED O=C(c1csc(COc2ccc(F)cc2)n1)N1CCCSC1=Nc1ccccc1 821781140 FVRUISJECHNTCH-UHFFFAOYSA-N 427.526 5.128 30 20 IKED N#C[C@H](C(=O)Cc1csc(Cc2ccccc2)n1)c1nc(-c2ccc(Cl)cc2)cs1 915101751 KMKXAIVVSPPPAY-LJQANCHMSA-N 449.988 5.930 30 20 IKED N#C[C@H]1C(CN(Cc2cccs2)Cc2cccs2)=CC(=O)n2c1nc1ccccc12 915216261 VOSBABJTSFIURO-IBGZPJMESA-N 430.558 5.049 30 20 IKED COc1cc(C=Nn2c(S)nnc2-c2ccc(C)cc2)ccc1OCc1ccc(F)cc1 916306631 QRJBUWSEGSHMCL-UHFFFAOYSA-N 448.523 5.151 30 20 IKED O=C(Nc1cccc(C=Nn2c(S)nnc2-c2cccs2)c1)c1ccc(Cl)cc1 916314002 KELTXZAZAQPQOF-UHFFFAOYSA-N 439.953 5.083 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCCC(=O)c1c(C)cc(C)cc1C 916905151 AXRBVMCGOITMKJ-JOCHJYFZSA-N 432.564 5.437 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)COc1ccc2oc3c(c2c1)CCCC3 916905426 CDONBJOHDGARLE-JOCHJYFZSA-N 444.531 5.163 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cn(Cc2ccccc2)c2ccccc12 916937420 DWAAFZAIUQZMCI-LJQANCHMSA-N 445.881 5.443 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc3cccc(F)c3c2COC)cc1 916950480 UALHGOFMSNEFGS-RHSMWYFYSA-N 438.524 5.661 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3cccc(Cl)c3Cl)n2)cc1 916974999 UQNRGQJQWFJMBY-UKRRQHHQSA-N 431.344 6.069 30 20 IKED Cc1ccsc1/C=C1\CC2(C/C(=C\c3sccc3C)C1=O)C(=O)Nc1ccccc12 917518284 YZXJWOZEAVBMFD-JYFOCSDGSA-N 431.582 6.146 30 20 IKED CCN(CC)c1ccc2cc(C(=O)/C=C\c3cc(Cl)c(OC)c(OC)c3)c(=O)oc2c1 917615234 NQSGFZIGOUWBRY-YFHOEESVSA-N 441.911 5.206 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCSc3nc4ccccc4s3)cn2)cc1 918586733 FHCYFIBDCUPGEV-UHFFFAOYSA-N 432.530 5.476 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C)n(-c4cc(C)on4)c3C)n2)cc1 920138701 HTMOPDGGNNIYOA-LJQANCHMSA-N 432.505 5.013 30 20 IKED Cc1ccc([C@@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2cccc(Cl)c2)s1 920171367 UXEWZDSUNOGLNM-FZKQIMNGSA-N 448.013 5.071 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)cc3C)cc2)CCC1 1785948804 MYUCTKWAHALGDU-KRWDZBQOSA-N 441.959 5.197 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4ncoc4c3)CCC2)cc1 1786103643 RLTKWRUOANBVGX-UHFFFAOYSA-N 429.520 5.344 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CS[C@H]3CCCCO3)CCC2)cc1 1789626547 WEUASTOQAZTKHQ-QFIPXVFZSA-N 444.641 5.373 30 20 IKED CC[C@H]1CC[C@H](C(=O)NC2(c3ccc(NC(=O)[C@H](C)ON=C(C)C)cc3)CCC2)CC1 1790569678 HOMNYMALHBUYLO-UFYCRDLUSA-N 427.589 5.138 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)ccc3OC)CCC2)cc1 1791300656 UINKIBUQBOLXAU-UHFFFAOYSA-N 448.897 5.308 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C(C)=C/c2ccc(C)o2)[C@@H]1c1cccnc1 1802500486 YETNZFIJNJIIBC-ZLGKEQQUSA-N 449.595 5.085 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(CCC)cc2)[C@@H]1c1cccnc1 1810501501 AWWKADPHJIPPBC-JWQCQUIFSA-N 447.623 5.346 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3nscc23)n[nH]1 1821519639 DLOPNQKYJDTGPU-IERDGZPVSA-N 449.580 5.094 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)[nH]n1 1821922051 YFRMLBUYIHPMPC-XOBRGWDASA-N 439.947 5.063 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)s2)CC1 1825854714 YXHVPBZFKXYUGQ-IBGZPJMESA-N 435.033 5.403 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(F)c2C)CC1 1828824135 KPOBONWOYPTNRV-QPPBQGQZSA-N 426.576 5.136 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2cccc(O)c2)c1 10179253 NAWNAUSPUSQQFZ-UHFFFAOYSA-O 446.379 5.654 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N 10696385 NPXWLIAORCPZPO-UHFFFAOYSA-N 446.315 5.093 30 20 IKED C=CCN(C(=O)CCc1ncc(-c2ccccc2F)o1)c1nc(-c2ccccc2)cs1 14055270 DPIRWLXJWRAJEK-UHFFFAOYSA-N 433.508 5.756 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)Nc1c(C(C)C)cccc1C(C)C 17187195 WLIWBXGHXGKESX-UHFFFAOYSA-N 433.508 5.293 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(OC(F)F)c(OC)c2)cc(Br)c1O 57435298 CNNQBJCFRANTGH-GQCTYLIASA-N 443.240 5.060 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)nnc1C1CC1 64367868 RGDGDOPFFNETOZ-UHFFFAOYSA-N 440.956 5.518 30 20 IKED COC(=O)CCOc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 64536278 YKALGOPLFNUHBM-UHFFFAOYSA-N 446.528 5.045 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC(c4nc5ccccc5s4)CC3)c2)cc1 303176682 JRNRODXTBQWZSH-UHFFFAOYSA-N 439.540 5.980 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N(CCc3ccccc3)Cc3ccncc3)c2)c1 303577084 CVFPQTLDUXGAMD-UHFFFAOYSA-N 447.538 5.417 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3cccc(C(=O)Nc4ccncc4)c3)c2)cc1 303584808 FTZDLPJRACNELV-UHFFFAOYSA-N 448.482 5.037 30 20 IKED C[C@H]1C(=O)Nc2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)ccc2N1C 426168110 OWGZFOZZAPCIEM-MGPUTAFESA-N 444.922 5.025 30 20 IKED Cc1c(C(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)oc2c(C)cc(Br)cc12 427755112 FFOZAPBDQKFPGJ-UHFFFAOYSA-N 449.308 5.004 30 20 IKED CC1(C)CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)[C@H]1c1ccncc1 432678060 FTEVATIMYLEVAE-GMAHTHKFSA-N 430.939 6.005 30 20 IKED CC(=O)N(c1nc(CN[C@@H](CCCC#N)c2ccccc2)cs1)c1cccc(C)c1C 433013348 XFLWNVURSVAASZ-QHCPKHFHSA-N 432.593 5.969 30 20 IKED Cc1ccc(C2=NN(C(=O)CN[C@H](CCCC#N)c3ccccc3)[C@@H](c3ccco3)C2)cc1 433015139 VSSSDCOLKGHFTP-ILBGXUMGSA-N 440.547 5.291 30 20 IKED CCCc1c(NC(=O)N2C[C@H](C)C[C@@H]2c2cccc(F)c2)cnn1-c1cccc(C#N)c1 439682150 LEPCTCHLKGWDHZ-MZNJEOGPSA-N 431.515 5.451 30 20 IKED N#Cc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1C(F)(F)F 443891750 LUZHAJZUUMDPIR-UHFFFAOYSA-N 449.841 5.797 30 20 IKED CN(C(=O)c1ccc(Cl)c(NC(=O)c2c(F)cc(C#N)cc2F)c1)c1ccccc1 446038705 HVKXPHBTMUFMNW-UHFFFAOYSA-N 425.822 5.019 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c1C 460370866 RZFREVANMHWWLU-PMACEKPBSA-N 425.319 5.410 30 20 IKED C=CCn1c(Sc2cc(C(F)(F)F)nc(-c3ccncc3)n2)nnc1-c1ccoc1C 461466647 YTRASQGFXXKQCO-UHFFFAOYSA-N 444.442 5.055 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)cc1 462264290 WKVFSBKUEJKFMZ-XUZZJYLKSA-N 443.503 5.401 30 20 IKED N#CCCCOc1cccnc1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 466602798 VBRMZLUXTZYCTL-IBGZPJMESA-N 426.929 5.390 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cc(Cl)ccc2OC(F)F)cc1 466749549 MTBBDIHLUPZNRB-UHFFFAOYSA-N 449.885 5.077 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@H]3C[C@H]3c3ccc(C(F)(F)F)cc3)ccc21 469953428 NNQWFVSCKHVGMM-VQTJNVASSA-N 441.453 5.031 30 20 IKED CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 470493965 YMTCNIWGMXPEIR-NWDGAFQWSA-N 434.327 5.264 30 20 IKED CCCN(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[C@H]1CCc2ccccc21 470546676 ADRKHDVRJWPJRE-DEOSSOPVSA-N 430.552 5.201 30 20 IKED CC(C)[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(F)cc1F 470550149 VAGZTLLUXHZDCA-HSZRJFAPSA-N 440.494 5.067 30 20 IKED C=C(C)CN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1 470908315 YAMAOEZPJOIKJN-UHFFFAOYSA-N 433.621 6.331 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(C)sc2Br)cc1 471032623 QGAYTWVUOZGEBH-UHFFFAOYSA-N 443.322 5.744 30 20 IKED C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1noc(-c2ccccc2)n1 473794939 NXAGNTVHNFEPIM-INIZCTEOSA-N 425.448 5.283 30 20 IKED N#CC[C@H](CC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccc1 474427359 AHTCDVXPRIGGBZ-RUZDIDTESA-N 434.543 5.302 30 20 IKED COc1ccc([C@@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)c2c[nH]c3ccccc23)cc1 474430765 YWOOOEJGNQJFJW-XMMPIXPASA-N 437.543 5.540 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cc2cccc(F)c2o1 475425053 QUJKGWCQKYNNKR-OAHLLOKOSA-N 443.434 5.052 30 20 IKED C=C(C)[C@@H](NC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)c1ccc(F)c(F)c1 479916231 WQKXPCRARUYAPW-GOSISDBHSA-N 427.373 5.381 30 20 IKED CN(C)c1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(C(F)(F)F)c1 482999897 ZHQUBFBMTHYVGH-UHFFFAOYSA-N 425.410 5.688 30 20 IKED CC1(C)CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC[C@@H]1C(F)(F)F 484193817 VGOCBMLSTZIIMS-NRFANRHFSA-N 445.485 5.774 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccccn1 488911179 DVNVXUNQUNEWHZ-SFHVURJKSA-N 441.560 5.312 30 20 IKED Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 490654484 YEYKCKSEAJOGAY-UHFFFAOYSA-N 439.540 6.016 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1ccccc1OCc1ccccc1Br 494301426 OPLRVMLRPSJCOY-UHFFFAOYSA-N 437.293 5.161 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](c1ccc(C(C)C)cc1)c1cccs1 495431870 PIDXRLZFBMMVPB-RUZDIDTESA-N 434.609 5.437 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)Nc1c(C(F)F)n[nH]c1C 497884045 PNJJPTBZZZXKTF-UHFFFAOYSA-N 445.495 5.246 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc3oc(C(F)(F)F)nc23)o1 499530698 SYOJHZQZKJGPPH-UHFFFAOYSA-N 427.338 5.143 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 499812385 FFGABYAIVMVHOK-ACJLOTCBSA-N 446.359 5.651 30 20 IKED CC(=O)Nc1cc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)ccc1C 502469266 ORXBPCVJIRMVHW-UHFFFAOYSA-N 432.455 5.187 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H](c3ccccc3)c3ccncc3)c2)cc1 503005300 MSSFFBXWJOQWJD-MHZLTWQESA-N 448.526 5.638 30 20 IKED Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)[C@H]1CCC[C@@H](C)C1 503293607 AJGOIHMGPIZPDO-LJFZDNNRSA-N 449.620 5.623 30 20 IKED C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1occc1COc1cccc(C#N)c1 503651215 XEHJVPYSVNTCMR-HNNXBMFYSA-N 428.410 5.110 30 20 IKED CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2CCC(C)(C#N)CC2)cc1 506046655 AOEBVTIMAIMGPP-UHFFFAOYSA-N 427.932 5.095 30 20 IKED Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](C#N)c1cccc(Br)c1 506513876 ZNVBVXXHRDOROV-INIZCTEOSA-N 430.689 5.061 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1 507840518 HBILKNACBPXLGN-INIZCTEOSA-N 429.476 5.001 30 20 IKED N#Cc1ccccc1N1CCCN(Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 509137401 KHGMBKKNSBRPKV-UHFFFAOYSA-N 444.966 5.176 30 20 IKED Cc1ccc(Nc2nnc(S[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)s2)cc1 515178752 FIZLBCMKNVEASB-OAHLLOKOSA-N 441.557 5.157 30 20 IKED CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 515902803 GZACOOPFTCUUDS-LAUBAEHRSA-N 425.960 5.267 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)N[C@H](C)C(=O)NC1(C#N)CCCCC1 517370986 QJGOFHIIQUWHMF-GOEBONIOSA-N 431.005 5.154 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1[nH]c2ccc(Br)cc2c1Cl 517457519 ZDRKMCCWKTWIFM-NSHDSACASA-N 448.773 6.088 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 518661236 VAAGYEBIHPEJBN-IBGZPJMESA-N 428.557 6.207 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 520174698 VRZRODLSYPEIEO-OYRHEFFESA-N 446.595 5.366 30 20 IKED COC(=O)CCc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 520603344 DWDMXAAACGJXES-UHFFFAOYSA-N 445.494 5.037 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2cccc(OC(F)F)c2)cc1 522408900 NZMBCCOGYSBNAH-UHFFFAOYSA-N 439.437 5.211 30 20 IKED Cc1ccc(C(=O)N(C)C)cc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 522576144 UFAOHCWEFRGDDA-UHFFFAOYSA-N 433.895 5.267 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 522637600 FMPGMVRFODJMER-MRXNPFEDSA-N 447.947 6.508 30 20 IKED CC(C)(C)OCc1cccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 523205275 UABBFSQWDRPTBP-UHFFFAOYSA-N 444.600 6.096 30 20 IKED N#CCc1ccc(NC(=O)CNc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)cc1 524147153 WRMMGYAXWCCXAV-UHFFFAOYSA-N 425.410 5.614 30 20 IKED COc1ccc(Br)c(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)c1 524565897 JGBROWBASBUJLS-CYBMUJFWSA-N 434.359 5.031 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cc(-c4cccc([N+](=O)[O-])c4)[nH]n3)cc2)cc1 524696761 BVYAAMORDBGLND-UHFFFAOYSA-N 439.431 5.096 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cnc([C@@H]2CCCO2)s1 534078606 FWXNGKLWEYPIHL-ZDUSSCGKSA-N 427.473 5.271 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc([S@@](C)=O)cc1 535956029 YUMLGHZQPXVELC-BJLXPSRBSA-N 434.586 5.079 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cc1 539209511 DCDUDJZMJMPTEA-UHFFFAOYSA-N 435.531 5.191 30 20 IKED N#CCC1CCN(C(=O)N[C@H](COc2cccc(F)c2)c2cccc(C(F)(F)F)c2)CC1 541016888 AIVYJBMYUNXWKH-OAQYLSRUSA-N 449.448 5.300 30 20 IKED CC(=O)c1ccc(Oc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cc2)cc1 541200191 COPAXICQMGRYFC-FQEVSTJZSA-N 445.425 5.916 30 20 IKED N#Cc1cc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2Cl)ccc1Cl 542509196 OSUDWWYOQOTMQX-UHFFFAOYSA-N 426.307 5.102 30 20 IKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1F 542897688 JZCMMODSZJFGQF-JLTOFOAXSA-N 447.963 5.325 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CNC1(c2noc(C3CCCC3)n2)CCCCCC1 543554281 QXINXUFECDBJIC-UHFFFAOYSA-N 441.963 5.030 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(c2ccnn2CC)CC1 558979557 NXJNWKWQIPVMCX-NRFANRHFSA-N 448.615 5.211 30 20 IKED Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)Nc1cc(F)c(OC(F)F)cc1F 561919295 NNIUNQTXYIUYLW-UHFFFAOYSA-N 448.294 5.801 30 20 IKED N#CCc1cccc(-c2nc(-c3cc(Br)sc3Br)no2)c1 562561760 DQKTUNQHQBQKHM-UHFFFAOYSA-N 425.105 5.056 30 20 IKED CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 565688125 NXBCLBPTKKSMLX-UHFFFAOYSA-N 425.444 5.184 30 20 IKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 568031934 NVKPBSCKOGVFSS-INIZCTEOSA-N 438.499 5.943 30 20 IKED N#Cc1ccc(N2CC[C@H](c3nc(CCCOc4cccc5ccccc45)no3)C2)c(F)c1 574673972 BXOOYZMQQODBLJ-FQEVSTJZSA-N 442.494 5.239 30 20 IKED C=CCn1c(SC[C@H]2CCCN(C(=O)C(C)(C)C)C2)nnc1-c1ccc(Cl)cc1 576421456 MPIJQGVJFIYEQC-INIZCTEOSA-N 433.021 5.161 30 20 IKED COc1ccc2c(c1)C1(CC1)CN(C(=O)Nc1cccc(Oc3ccc(C#N)cc3)c1)C2 579412080 HPUQVDKUBQQBCM-UHFFFAOYSA-N 425.488 5.438 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCO[C@H](c4cccc(Cl)c4)C3)cc2)ccn1 579779918 SYMHWORVASSMLK-QFIPXVFZSA-N 434.883 5.004 30 20 IKED Cc1ccc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c(-c2nc3ccccc3[nH]2)c1 583148234 YGZRGRLBBCDCCY-GOSISDBHSA-N 439.494 5.014 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 585746934 VWNHZGBRUMDICE-YADHBBJMSA-N 443.469 5.031 30 20 IKED C=C(C)COc1cccc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)c1 589382812 LPSBSDVQBRWJSO-UHFFFAOYSA-N 431.517 5.576 30 20 IKED CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 591206765 PCHPPLVRLUBKCA-IBGZPJMESA-N 428.488 5.278 30 20 IKED C=CCN(C(=O)c1oc2ccc(OC)cc2c1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603459417 ZDAJEDCJQKAKPC-UHFFFAOYSA-N 449.488 5.614 30 20 IKED Cc1noc(C)c1CSCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603759081 SXWCWNSCAHMZSS-IBGZPJMESA-N 425.941 5.472 30 20 IKED C[C@@H](CCc1ccccc1)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604130158 KDHYEDALRVVTPC-KRWDZBQOSA-N 447.922 5.080 30 20 IKED N#CCN(C(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1 604517684 OQLRFEPEUHSQQD-UHFFFAOYSA-N 447.420 5.123 30 20 IKED CCC(=O)N[C@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 609164422 NUXPPKOJXPQNEC-URXFXBBRSA-N 431.923 5.201 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N(Cc3ccc4c(c3)OCO4)C3CCCC3)cc2)nc1 609497357 JOCNFZMCJBFUTN-UHFFFAOYSA-N 441.487 5.059 30 20 IKED CC(C)NC(=O)Nc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 609729801 QMCJDLQKKONAMH-UHFFFAOYSA-N 448.910 5.786 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](c1ccccc1)c1ccncc1 609929094 RIQNIQZMUNWPLR-HHHXNRCGSA-N 448.526 5.752 30 20 IKED CCc1nc([C@H]2CCCCN2C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)no1 609974944 HPPCMIWCWFHVNJ-LJQANCHMSA-N 436.899 5.317 30 20 IKED COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 610234203 NHXXORSRCGTOFB-NRFANRHFSA-N 434.879 5.266 30 20 IKED COc1ccc(C[C@@H]2CCCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)C2)cc1 610321558 XJUAEJTXCPTBNC-NRFANRHFSA-N 442.519 5.241 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2ccccc2NCc2ccc(Cl)cc2)c(Cl)c1 613242577 FNBBVYWCIRLOIR-UHFFFAOYSA-N 430.722 6.383 30 20 IKED N#C[C@@H](C(=O)c1ccc(Br)o1)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281698 PFRPBSYPRBHZSK-JTQLQIEISA-N 442.121 5.962 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1C(F)F 676146615 UBXAQPHWOCYDIP-UHFFFAOYSA-N 429.311 5.150 30 20 IKED Cn1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(-c2cccs2)n1 678171808 PHHJVQIHEKBADB-NSHDSACASA-N 432.452 5.267 30 20 IKED C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 679567267 GSGKJIVXXXCVDI-BDAKNGLRSA-N 444.326 5.412 30 20 IKED O=C(Nc1ccc(Cl)cc1OC(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 680832388 LHKHBDMEPWJVQJ-HTQZYQBOSA-N 440.718 5.536 30 20 IKED N#CCOc1ccc(CNC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CC3)cc1 727677668 NSWHNDPPADCOIF-KNTRCKAVSA-N 435.483 5.147 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 728871519 VSQWUUMUDNIHMQ-AATRIKPKSA-N 427.348 5.075 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)s1 730953702 PVLPMEYYKLRHRV-CQSZACIVSA-N 426.592 5.188 30 20 IKED Cc1cc(C(=O)N[C@@H](C#N)c2ccccc2Br)c(C)n1[C@H](C)c1ccccc1 733267520 YHCZKNAKESKARN-ZHRRBRCNSA-N 436.353 5.471 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1)C1CC1 740455505 SUYYAOSZBKPKCI-UHFFFAOYSA-N 444.560 5.119 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1nc(-c2ccccc2)cs1 741430787 MJIKUEIWRVEZAI-IXDOHACOSA-N 428.435 5.689 30 20 IKED COc1ccccc1N=c1scc(-c2ccc(N3CCOC3=O)cc2)n1CCCCC#N 741454008 YUJKBFLGZAVGGF-UHFFFAOYSA-N 448.548 5.108 30 20 IKED N#CCOc1cccc(NC(=O)NC2(c3cccc(Br)c3)CCCCC2)c1 743104342 ZHSCHYRHCRJWSA-UHFFFAOYSA-N 428.330 5.333 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 743856243 ZHGULDKTXGBSEI-OZXSUGGESA-N 427.523 5.332 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C)c(NC(=O)OC(C)(C)C)c2)cc1 744033914 WYUMFGIGMMNFTM-HRAATJIYSA-N 449.551 5.817 30 20 IKED CC(C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1occc1COc1cccc(C#N)c1 744925123 CPCRFZPVXINLKM-QGZVFWFLSA-N 432.476 5.038 30 20 IKED Cc1ccc2c(CCC(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c[nH]c2c1 745947806 NZEKMIIJHJYCBQ-JOCHJYFZSA-N 437.499 5.549 30 20 IKED CC(C)(C)O[C@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1 754532283 SNLGYGJQAYJLAF-KXBFYZLASA-N 432.467 6.048 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1 756962942 JYQSWNKJBMGNAJ-IFMALSPDSA-N 432.545 5.449 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(=Cc3ccccc3F)CC2)cc1 757198341 OJXMMJWRBVNYBO-VWLOTQADSA-N 425.507 6.192 30 20 IKED C#CC[C@@H](NC(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1)c1ccccc1 757762407 PGKRXTBWEOOEJD-PZJWPPBQSA-N 434.927 5.044 30 20 IKED COc1ccc(-c2cc(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)sc2C)cc1 764301293 HAHBTWJKJIOWRP-UHFFFAOYSA-N 427.869 5.418 30 20 IKED N#Cc1c(Cl)nsc1N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 768920745 RPYZYRIFHKFYIC-LBPRGKRZSA-N 441.784 5.284 30 20 IKED CC(=O)N1C/C(=C/c2ccc(-c3cccc(Br)c3)o2)C(=O)c2ccccc2C1 778520075 NUUKRFJEEPGIOJ-PDGQHHTCSA-N 436.305 5.338 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2cn(-c3ccc(Cl)c(Cl)c3)nn2)S1 783698216 YPTRSLSZRALGQE-IUXPMGMMSA-N 444.347 5.083 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cn(C)nc1C1CCCCC1 783799354 JFIRSTGXKYRRMO-UHFFFAOYSA-N 431.565 5.097 30 20 IKED COc1ccc2ccccc2c1-c1cc(COC(=O)C[C@H](CC#N)c2ccccc2)on1 795981017 GYCFPIYQMZPXBX-FQEVSTJZSA-N 426.472 5.634 30 20 IKED N#CCSc1ccccc1C(=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 799035967 SVJKOBXKNNJCEX-UHFFFAOYSA-N 438.446 5.302 30 20 IKED C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC(O)(c2ccccc2C(F)(F)F)CC1 802558218 MTACTJQAAAOJDY-UHFFFAOYSA-N 442.485 5.028 30 20 IKED CC[C@H](C#N)Oc1cc(CNc2ccc(Br)c(C(F)(F)F)n2)ccc1OC 804456127 SPCNESYBGODXGM-GFCCVEGCSA-N 444.251 5.165 30 20 IKED C[C@@H](Cc1cncc2ccccc12)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 805856586 YONRUGPTHUCPDY-UGSOOPFHSA-N 426.303 5.068 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCCc3c2[nH]c2ccc(Br)cc32)c1 808707483 QBHRLIPCPRTROL-VGOFRKELSA-N 438.369 5.779 30 20 IKED Cc1cc(C(F)(F)F)nn1CC(=O)O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 810603352 UHOOHKPRZJMBOB-CYBMUJFWSA-N 434.258 5.076 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1 811523774 DYWNMODROHYHHD-UHFFFAOYSA-N 432.590 5.115 30 20 IKED Cc1nnc(SCc2c(C(=O)Nc3nc(Cl)c(C#N)s3)oc3ccccc23)s1 813369855 PLTYUUXZQWEURG-UHFFFAOYSA-N 447.954 5.119 30 20 IKED CCN(CC1CCN(C(=O)c2sc3ccc(C#N)cc3c2C)CC1)C(=O)OC(C)(C)C 814119055 YWTXYXARFNJYPT-UHFFFAOYSA-N 441.597 5.191 30 20 IKED Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)C2)nc1 858060063 QQDVQWCIYPGUAE-LJQANCHMSA-N 433.895 5.001 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1 915086870 XUYOTQBKVKGQAE-VWLOTQADSA-N 432.483 5.242 30 20 IKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C2CC2)c1 916205002 CNOBVPBHVFTHAH-IBGZPJMESA-N 427.957 5.080 30 20 IKED C[C@@H](Cc1ccccc1Cl)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 916721062 UVKZYZHIIDQIMH-SFHVURJKSA-N 433.939 5.738 30 20 IKED Cc1ccc(C(C)C)c(OCC(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1 916884222 SXCMQRWYKBEHLS-SFHVURJKSA-N 432.492 5.160 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cc1sc(C)nc1-c1cccs1 916900036 LZWJLCIXIQQBQU-QGZVFWFLSA-N 437.590 5.195 30 20 IKED N#C[C@@H](C(=O)Cc1c(Cl)cccc1Cl)c1nc2cc(C(F)(F)F)ccc2s1 917042148 BXLMELPKHFBIPU-NSHDSACASA-N 429.250 6.041 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c(C)n1[C@@H](C)c1ccccc1 917045318 XWTBKPWVOUBXSO-JXFKEZNVSA-N 432.474 5.949 30 20 IKED C[C@H](Oc1cccc(Cl)c1Cl)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917046475 DHBAGXGEHNLDCF-GXSJLCMTSA-N 425.724 5.900 30 20 IKED N#C[C@H](C(=O)CSc1cccc(C(F)(F)F)c1)c1nc2cc(Cl)ccc2s1 917047306 WNQJYKJPJSHFDV-CYBMUJFWSA-N 426.872 5.937 30 20 IKED C=CCn1c(SCC[S@@](=O)c2cc(Cl)ccc2Cl)nnc1-c1ccccc1 917153178 PHANZRXRYJAZLU-HHHXNRCGSA-N 438.405 5.338 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cs1 917560254 UGSLFWMROUKVTL-JLHYYAGUSA-N 436.964 6.256 30 20 IKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccsc3)C2=O)cc1 917673953 KHCUFJOIYTVFLH-FQEVSTJZSA-N 435.574 5.217 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)/C=C\c2ccc3ccc(Cl)cc3n2)cc1 919867908 GJESWBWJOFAPBT-YPKPFQOOSA-N 431.923 5.354 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)C(=O)Nc1ccc(Cl)cc1 920108867 ZLFZEUZCBGFVQS-CYBMUJFWSA-N 436.345 5.068 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccnc(OCc3ccccc3)c2)cc1 920111073 ISGSQKRAYPWFJA-FDDCHVKYSA-N 427.504 5.135 30 20 IKED Cc1nc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)cs1 1787529028 TUIUJLJRSBUEMQ-MRXNPFEDSA-N 444.560 5.140 30 20 IKED Cc1c[nH]cc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1788732244 VAWSRXMJYMEPOL-QGZVFWFLSA-N 426.520 5.012 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)[C@H](C)Sc3cccs3)cc2)CCC1 1789413163 CAAVXBAGQKBPMW-INIZCTEOSA-N 446.663 5.282 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1 1802495293 AQLIWNSGXNBFNZ-ZJSXRUAMSA-N 445.563 5.140 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)c2ccc(C)cc2)[C@@H]1c1cccnc1 1812753900 WQRDPBXWMBEJQR-GPUOULLFSA-N 447.623 5.192 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)nc(CC)c2)CC1 1823752338 QHCILLJDXURZJS-DEOSSOPVSA-N 439.644 5.178 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccoc3cn2)CC1 1830819653 OTCIVXYSOZXNAU-JOCHJYFZSA-N 437.584 5.054 30 20 IKED COc1cc(C#N)ccc1OCC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 9437985 ZKQDMMNRXAGEQI-UHFFFAOYSA-N 429.501 5.170 30 20 IKED C[C@H](c1ccccc1)n1c(SCCCC#N)nc2ccc(Br)cc2c1=O 21182663 BFTJXHHWBKLBPA-CQSZACIVSA-N 428.355 5.164 30 20 IKED CN(C(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c12)C1(C#N)CCCCC1 23426897 QJVGWBJPNBSWKB-UHFFFAOYSA-N 440.569 5.274 30 20 IKED C=CCN(C(=O)CCCc1nc(-c2cccs2)no1)c1nc(-c2ccccc2)cs1 31687734 XEBFCEFDEGIIQY-UHFFFAOYSA-N 436.562 5.464 30 20 IKED C=CCn1c(=S)sc2c(=O)n(Cc3csc(-c4ccc(C(C)C)cc4)n3)cnc21 31759077 ZSEUQZMRYHPFRG-UHFFFAOYSA-N 440.619 5.470 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C(=O)N1c2ccccc2C[C@@H]1C)C(C)C 32785451 QJJIRARYMMNKIA-CYFREDJKSA-N 446.620 5.149 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCCCSc3ccccc3)c2)c1 71944214 JQVWVHZXKPVCBX-UHFFFAOYSA-N 430.533 5.114 30 20 IKED Cc1nc(SCC(=O)Nc2ccccc2CN(C)C2CCCCC2)c(C#N)c(C)c1C 115564895 PKEZUDHQOXHKHT-UHFFFAOYSA-N 436.625 5.374 30 20 IKED CN(CCC#N)c1ccc(CNCc2ccccc2-c2ccc(Cn3cccn3)cc2)cc1 237213208 GWXYEGZSQXLJNI-UHFFFAOYSA-N 435.575 5.238 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCC(COc4ccccc4)CC3)c2)c1 303615545 MDHXEFZOHHVORZ-UHFFFAOYSA-N 426.516 5.068 30 20 IKED C=CC[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1)c1ccccc1 426642086 FBMUCENYQAPBKC-FQEVSTJZSA-N 442.487 5.064 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)Nc1cc(Cl)ccc1OC1CCCC1 428885523 XIQCVBFQZDFWHK-UHFFFAOYSA-N 425.916 5.281 30 20 IKED COc1ccc(CCN(Cc2ccsc2)C(=O)Nc2cccc(C#N)c2C)cc1OC 431713448 VNTLFJCFXLUYGB-UHFFFAOYSA-N 435.549 5.222 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@H](c3ccc(F)cc3)C2)cc1 431976220 BCECUMLUZFLROV-NRFANRHFSA-N 429.495 5.492 30 20 IKED C[C@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCN(C2CCC2)C1 432680855 MSTFHPOKTNOHNC-JPYJTQIMSA-N 436.987 5.334 30 20 IKED CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)N[C@H](CCCC#N)c1ccccc1 433039892 PNNUIIKJAMTJSR-JOCHJYFZSA-N 448.567 5.268 30 20 IKED CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 437906317 GWOQCPCHQJMBOY-QFIPXVFZSA-N 426.511 5.067 30 20 IKED CN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 438633077 ZXURCUNHSGZZQX-UHFFFAOYSA-N 430.199 5.143 30 20 IKED C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 460812523 JVRYUOCSHBHEIC-DENIHFKCSA-N 426.605 5.217 30 20 IKED N#Cc1cc(N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)nc2ccc([N+](=O)[O-])cc12 462827733 JANRWIQKQAGRDO-LJQANCHMSA-N 447.253 5.038 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)CC(=O)c1ccccc1F 463486073 XERSYXSKBVINTB-GOSISDBHSA-N 430.479 5.432 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CC[C@H](CSc3ccccc3)C2)c1 464326361 WLUYXXIMURLOCG-NRFANRHFSA-N 428.557 5.392 30 20 IKED Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 464472493 OULAGXAJQXYCSM-GFCCVEGCSA-N 440.208 5.861 30 20 IKED CC(=O)N1CCCc2cc(NC(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)ccc21 464921474 SPPRNEMFHYWRPF-UHFFFAOYSA-N 425.488 5.210 30 20 IKED Cc1ccc(Cn2nc(C)c(CCC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c2C)cc1 464936756 CNZMPNUCEGVIAR-RRPNLBNLSA-N 440.591 5.088 30 20 IKED CSc1cccc([C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)c2cc(F)ccc2F)c1 466243454 IQBUKXBQGLRDSC-HSZRJFAPSA-N 437.515 5.489 30 20 IKED CN(C(=O)Nc1ncccc1OCCCC#N)[C@H](c1ccncc1)c1ccc(Cl)cc1 466604348 NIUXOBPTTNRVRY-NRFANRHFSA-N 435.915 5.066 30 20 IKED Cc1c([C@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cnn1-c1cccc(Cl)c1 468926168 IUXXRRNHFWNQDD-KRWDZBQOSA-N 447.970 5.590 30 20 IKED N#CCCCn1cc(C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)c2ccccc21 469419270 BIGQTBNYLAYVQX-YTTGMZPUSA-N 441.556 5.505 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(Cc2ccc(F)c(F)c2)CC1 469663724 QXSCXLPBXFUVEH-MRXNPFEDSA-N 429.536 5.703 30 20 IKED N#CC1(C(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CCCCC1 469751932 LHORITJVKFFVQS-MRXNPFEDSA-N 434.380 5.098 30 20 IKED Cc1nc2cc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)ccc2n1Cc1ccsc1 472500858 NGVFGZYUDPMBDF-QGZVFWFLSA-N 428.542 5.554 30 20 IKED N#CC[C@@H](CC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1ccccc1 475669766 WBPKYEIJDNUUAX-VWLOTQADSA-N 434.543 5.302 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N2CCC[C@H]2c2ccccc2I)cc1 476055030 UYKZKVBFZPPNIA-IBGZPJMESA-N 444.316 5.070 30 20 IKED N#CC[C@@H](CC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)c1ccccc1 476060417 LOPFTVYUAOMVKR-KRWDZBQOSA-N 425.410 5.919 30 20 IKED C=C(C)[C@@H](NC(=O)C(=O)Nc1cccc(COC2CCCCC2)c1)c1ccc(F)c(F)c1 477653870 LFAOLONNAYFKIH-HSZRJFAPSA-N 442.506 5.186 30 20 IKED C[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1nc(-c2ccncc2)cs1 479632843 KOKAJLLIRNXIPE-MRXNPFEDSA-N 442.569 5.719 30 20 IKED CCCN(C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@@H]1CCCc2cccnc21 480207821 GOMMTRMFSHOTKQ-GOSISDBHSA-N 432.446 5.216 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(OC)c(Oc2ccc(C)nn2)c1 480947061 BPKPKSIARUWDMS-UHFFFAOYSA-N 444.944 5.521 30 20 IKED C[C@H](NC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1cn[nH]c1 482341609 FDLLFYMIRNUOFS-MADCSZMMSA-N 448.289 5.111 30 20 IKED C[C@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 483054716 RMGYVZCBIOTQPG-HXOBKFHXSA-N 433.939 5.796 30 20 IKED N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)c1cnc2ccccc2n1 483203286 VBOGGGBXJHTZSV-SFHVURJKSA-N 432.505 5.310 30 20 IKED COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)N[C@H](C)CC#N)cc1OC 484773344 YNEBRQFYKVPZKC-VXNZKSKFSA-N 441.531 5.161 30 20 IKED Cc1cccc(-c2nc(CC(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)cs2)c1 487906631 HCHOXLMTMWVHSU-UHFFFAOYSA-N 429.467 5.124 30 20 IKED Cc1nc(C(F)(F)F)ccc1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 488011749 VPRYNDZGAQZARA-UHFFFAOYSA-N 427.401 5.262 30 20 IKED C=CCn1c(S[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1ccccc1C 488906696 ZDTKEHLXHLYTPI-KNEUKCCGSA-N 436.625 5.005 30 20 IKED C=CCn1c(Sc2nc(C3CC3)nc3sc4c(c23)CCCC4)nnc1-c1cccnc1 489286644 JVCNDJMIHNWUJE-UHFFFAOYSA-N 446.605 5.438 30 20 IKED CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2Cl)c2cccs2)cc1 490358620 BRLTZMHLHRDOBY-NRFANRHFSA-N 437.952 5.241 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc3c(OC(F)F)cccc3[nH]2)cc1 490625800 GIJIZFLZGRCQRJ-UHFFFAOYSA-N 447.441 5.667 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc([C@@H]2CCCOC2)c1 499374355 GHAAPLVHBMABQF-QGZVFWFLSA-N 434.483 5.857 30 20 IKED C=CCN(C(=O)c1cccc(NC(C)=O)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502942081 TXEDVOYOANMXGU-UHFFFAOYSA-N 446.359 5.908 30 20 IKED CC[C@H](C)n1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nnc1-c1ccccc1 504290076 OJYBIOXPPWDNNZ-AWEZNQCLSA-N 425.945 5.172 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(-c3ccccc3)no2)cc1Cl 505646949 QGLALIOXWRDSFD-QFIPXVFZSA-N 442.906 5.972 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 506736529 JERDDLPKCJJNGA-UHFFFAOYSA-N 442.922 5.163 30 20 IKED CN(CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1nc2ccccc2s1 507419692 ZMJWLDOMUWGZGC-UHFFFAOYSA-N 442.544 5.016 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(NC(=O)N(C)C)ccc1Cl 507576227 AFNNRPWMEDAEKI-UHFFFAOYSA-N 449.898 5.053 30 20 IKED C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@H](C)c1nccs1 508849100 PDUWPJNWWGNGNV-HNNXBMFYSA-N 436.610 5.259 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3ccc(O)cc3)CC2)cc1Cl 510021953 BJAUNDVJUBIHSJ-QHCPKHFHSA-N 446.938 5.055 30 20 IKED N#C[C@H](C(=O)c1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(C(F)(F)F)cn1 510310006 IHZAUFUGELXKHB-IBGZPJMESA-N 430.813 5.823 30 20 IKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc([N+](=O)[O-])c1 511354752 GNDDASRZNJRVHQ-KRWDZBQOSA-N 430.464 5.123 30 20 IKED C=CCOc1c(Br)cc(CNc2cccc(NC(=O)C(C)C)c2)cc1OCC 512979516 OXINOBQMTFVKEJ-UHFFFAOYSA-N 447.373 5.619 30 20 IKED N#C[C@@H](C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cn1 513202564 RVMGELYHZHYQNT-QGZVFWFLSA-N 443.812 5.496 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3cccc(-c4cccs4)c3)CC2)c1 513972303 ZUXUNOUPDUKGPR-UHFFFAOYSA-N 430.533 5.169 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl 517473078 ILRJGZLBUIFULU-GFCCVEGCSA-N 437.352 5.005 30 20 IKED Cc1ccc(OCCC(=O)Nc2ccccc2S[C@H](C)CC#N)c(Br)c1 518241170 ZMCFGZHRJOEKPL-OAHLLOKOSA-N 433.371 5.559 30 20 IKED Cc1csc(N(CC(F)(F)F)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)n1 518904419 HIXAHHRPIBNYTI-UHFFFAOYSA-N 431.439 5.519 30 20 IKED COc1cccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 520939489 YZZOBFWPAHKQKK-GHTZIAJQSA-N 439.581 5.303 30 20 IKED CC(C)=CCOc1cccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 525118138 QNDABKCZIPHVPK-UHFFFAOYSA-N 436.562 5.299 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)c1 532818548 HNDXQNLNOLDZLW-OAHLLOKOSA-N 435.858 5.136 30 20 IKED C=CCN(C(=O)C[C@H](C)c1c(C)noc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 532825754 SGMREVVPLDJEHN-ZDUSSCGKSA-N 426.498 5.036 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2ccccc2cc1OC(F)F 534169673 YRCKADURYPYKHD-UHFFFAOYSA-N 445.425 6.061 30 20 IKED CC(=O)N1CC[C@@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c2ccccc21 535311151 SVKARWUSRYZILU-HSZRJFAPSA-N 441.556 5.078 30 20 IKED C=C[C@@H](CC(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)c(C)s1)c1ccccc1 536187969 FIYANPUWXCZKMQ-INIZCTEOSA-N 425.579 5.115 30 20 IKED N#Cc1ccc2nc(N3CCC(C(=O)Nc4ccc(Cl)c(Cl)c4)CC3)ccc2c1 536765940 BYSBJVIGMZOQMG-UHFFFAOYSA-N 425.319 5.268 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](Cc1ccccc1)c1ccccc1F 537157927 DTMDFGCNJDVMJN-CYFREDJKSA-N 447.579 5.732 30 20 IKED CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2ccc(C3(C#N)CC3)cc2)c1 539601274 WBMHTEBNBGDTSO-FQEVSTJZSA-N 437.543 5.604 30 20 IKED C=CCn1c(S[C@@H](C(=O)OC)c2ccccc2C(F)(F)F)nnc1-c1cccs1 543957550 ABSOSTNRJHIZNC-OAHLLOKOSA-N 439.484 5.218 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F 544250518 RXJOTOKLLUMUMO-PIGZYNQJSA-N 429.414 5.784 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccccc1CN1CCNC1=O)c1ccc(C(F)(F)F)cc1 544590284 CUOOHISUEWZWIS-LJQANCHMSA-N 446.473 5.060 30 20 IKED Cc1cc(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(C)n1Cc1ccncc1 545850822 IPPBKVQIMJLXIJ-FQEVSTJZSA-N 434.543 5.578 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC([C@](C)(O)C(F)(F)F)CC1 545933051 LXSKQFAMYPGHAW-QFIPXVFZSA-N 447.457 5.216 30 20 IKED C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[C@@H](c2nc3ccccc3s2)C1 549667564 BDLPKAGLZIXXME-GOSISDBHSA-N 430.581 5.218 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2cccc3cccnc23)cc1)c1nc(-c2ccncc2)cs1 552276977 NLHKRRCYNUFQHX-QFIPXVFZSA-N 432.508 5.910 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1ccccc1Br 557561059 NSFDVSIDTQWODP-HUUCEWRRSA-N 449.439 6.276 30 20 IKED CC(C)n1c([C@@H]2CCCN2C(=O)c2cc(-c3cccc(C#N)c3)no2)nc2ccccc21 559979926 BRFYMPUAPJWDFE-QFIPXVFZSA-N 425.492 5.121 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N(Cc3ccc(O)cc3)Cc3ccco3)cc2)ccn1 564260197 MBZIJOCZLRQQSM-UHFFFAOYSA-N 440.459 5.278 30 20 IKED COc1cc(CN[C@H](CCCC#N)c2ccccc2)cc(Br)c1OC(F)F 573631895 FMXXPMOULQJLKK-QGZVFWFLSA-N 439.300 5.584 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1F)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 590235174 TVWJSXNNTNPTHW-LLVKDONJSA-N 435.343 5.113 30 20 IKED CC(C)COc1cn(-c2ccccc2)nc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 594362954 LKIFZTYXLZFGCR-KRWDZBQOSA-N 449.461 5.142 30 20 IKED Cc1nc(CSc2ccc(C(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cc2)cs1 603530660 UJXAXBPIPLTQQS-UHFFFAOYSA-N 435.618 5.914 30 20 IKED Cc1oc2nc(S[C@@H](C#N)Cc3ccccc3)nc(NC(=O)c3ccccc3)c2c1C 603549383 BEAOQYPTRIJHCB-LJQANCHMSA-N 428.517 5.319 30 20 IKED N#Cc1ccc(CCC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)cc1 603742962 NPWZYHLSEXQWCA-UHFFFAOYSA-N 437.421 5.401 30 20 IKED CC(C)C[C@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1cccs1 604084931 LMIXQVBFNTXIHO-INIZCTEOSA-N 443.623 5.672 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCc3sccc3C2)nc1 608915182 HVBCIEZJGUCJBN-UHFFFAOYSA-N 431.565 5.020 30 20 IKED C[C@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)NC(=O)C1CCCCC1 608937551 DPYSUCJCCXBDBS-VGOFRKELSA-N 437.971 5.409 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CCOc1ccccc1C 609078210 GUZKFMVLEUYQEK-UHFFFAOYSA-N 429.520 5.297 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(Br)ccc3F)cc2F)c1 609104120 OODQAZREAVDUFA-UHFFFAOYSA-N 443.247 5.430 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCCCc1cccc(Br)c1 609424503 VKOUSBODQYAZIT-HNNXBMFYSA-N 432.387 5.455 30 20 IKED CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1 609696762 MVSJWMMQPMRIHJ-JGCGQSQUSA-N 446.572 5.437 30 20 IKED CCCCS(=O)(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1 610127740 COKYLUBYLCTPNR-UHFFFAOYSA-N 433.533 5.019 30 20 IKED FC(F)(F)Oc1ccc(OCCN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 610409718 YWBJICLCJMNDBF-GHMZBOCLSA-N 425.291 5.027 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)C(F)(F)F 614252117 HXQMLQLYJCITSX-LHSJRXKWSA-N 441.457 5.025 30 20 IKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2nc3ccccc3o2)cc1 614439729 FWEQEXDVFWNPQA-FQEVSTJZSA-N 434.455 5.179 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(SC)cc2)nnc1-c1ccc(Cl)cc1 617895896 CFYZWFXHXDCBGB-CQSZACIVSA-N 445.013 5.626 30 20 IKED C=CCn1c(SCC(=O)N2CCC[C@@H](CC)C2)nnc1-c1ccc(Cl)cc1Cl 642303308 ITBLNFSLHCYEDZ-CQSZACIVSA-N 439.412 5.179 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 670062785 BAAHIUOYOATVDI-HTQZYQBOSA-N 438.290 5.458 30 20 IKED C=C(CNC(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1)c1ccccc1 672668288 RLPPBKZTHOPYBR-UHFFFAOYSA-N 439.515 5.540 30 20 IKED CC(C)Oc1c(F)cc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F 680241938 VBDSLJFYSLTRLW-NXEZZACHSA-N 448.354 5.783 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(Cc3ccc(F)cc3)n2)cc1 727038607 MIRGATUFLUVIPA-MGPUTAFESA-N 435.524 5.348 30 20 IKED C#Cc1cccc(N(Cc2ccco2)C(=O)C2CCC(NC(=O)CC3CCCC3)CC2)c1 728182329 KJOSUDGCWVJCDJ-UHFFFAOYSA-N 432.564 5.049 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3Cl)n2)cc1 730692491 YXWUESRNAKBCOL-RCCFBDPRSA-N 443.355 6.105 30 20 IKED N#C[C@H](C(=O)COc1ccccc1OCc1ccccc1)c1nc(-c2ccccc2)cs1 730922055 KVMZIYMHHJZWKT-OAQYLSRUSA-N 440.524 5.644 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)O[C@@H](c1cncc(F)c1)C1CCCCC1 731778090 XDWBZYVRLJOEPB-XMMPIXPASA-N 426.488 5.125 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)OCc2nnc(-c3cccc(Cl)c3)o2)c1 734200417 YZLVPCURMFPPNQ-UHFFFAOYSA-N 445.862 5.198 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)cc1 734929367 NEXSQUGDQJPREO-DNQXCXABSA-N 447.991 6.317 30 20 IKED CC(C)OC(=O)NCc1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1 735026940 ICYIOUYGUOFHMN-UHFFFAOYSA-N 443.503 5.024 30 20 IKED CN(C(=O)c1ccccc1C(=O)OCc1cc(Cl)ccc1OCC#N)C1CCCCC1 735337668 NLZYIQMRDOALTC-UHFFFAOYSA-N 440.927 5.004 30 20 IKED C#CCOc1ccc(F)cc1NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 741644949 DNNBPEFDGUMVHZ-UHFFFAOYSA-N 442.446 5.017 30 20 IKED N#Cc1cc(NC(=O)Nc2ccc(N=Nc3ccccc3)cc2)ccc1N1CCC(O)CC1 743064171 DYKISPFWQDGARD-UHFFFAOYSA-N 440.507 5.579 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)c3ccc(Br)s3)n2)cc1 744032684 WBSNMCKKEAKATI-JSGCOSHPSA-N 431.380 5.923 30 20 IKED CC(C)CO[C@H](C)c1noc(CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)n1 745993919 YFEBGEZFPMJIHU-MRXNPFEDSA-N 440.931 5.519 30 20 IKED C=CCn1c(COc2ccccc2F)nn(CN(Cc2ccc(F)cc2)C(C)C)c1=S 746026289 FBOMPEVAZUDFHQ-UHFFFAOYSA-N 444.551 5.325 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3ccc(Oc4ccc(Cl)cc4)c(F)c3)o2)c1 746085404 URQOGSJICTWARP-UHFFFAOYSA-N 449.825 5.550 30 20 IKED C[C@@H](C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccc(Cl)c(Cl)c1 747103657 DOXLBSIDRDGFRY-MFKMUULPSA-N 446.359 5.562 30 20 IKED CC(=O)N(c1nc(/C=C2\Sc3cc(C)ccc3C2=O)cs1)c1ccc(F)cc1F 752892981 ZGZWCMPILLZMEG-OCKHKDLRSA-N 428.485 5.744 30 20 IKED CN1C(=O)CCc2cc(C(=O)/C=C/c3nc(-c4cc(Cl)ccc4Cl)cs3)ccc21 754689491 HPKOPOMECUTITB-BQYQJAHWSA-N 443.355 5.922 30 20 IKED COC(=O)[C@H](C)[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 754892350 YSCFPOBSVZVKKI-PUZWTLIVSA-N 427.504 5.014 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2cc(-c3ccccn3)ccc2Cl)cc1 754998763 MIBYUJLGXLIWQJ-SFHVURJKSA-N 447.922 5.203 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(-c2c(F)cccc2F)c1 757411472 WWUVASUGSJRWQS-OAHLLOKOSA-N 445.252 5.900 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc2ccccc2nc1Br 760179038 LSQUBZYUKYREQU-UHFFFAOYSA-N 441.285 5.126 30 20 IKED COc1cc(F)c(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1OC 760270584 PPMHNDNUJIGORZ-JXMROGBWSA-N 440.496 5.189 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)c1=S 765041155 XYQOQQVZJHFEOP-NZQKXSOJSA-N 449.624 5.089 30 20 IKED N#CCOc1cccc(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])c1 767071742 MCFKFLNMLXBSCN-UHFFFAOYSA-N 439.880 5.554 30 20 IKED COc1ccc(C#N)cc1COC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 772257780 WVZUGJJRWKOLFI-UHFFFAOYSA-N 431.275 5.205 30 20 IKED N#C[C@H]1C(CN[C@H](CCc2ccccc2)c2ccccc2)=CC(=O)n2c1nc1ccccc12 775178176 DWPRGFZTNAQCJQ-BJKOFHAPSA-N 432.527 5.187 30 20 IKED COc1cc(OC)cc(Oc2ccc(/C=C3\CN(C(C)=O)Cc4ccccc4C3=O)cc2)c1 778520252 QXWMQEWCWPKLLN-CIAFOILYSA-N 443.499 5.125 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1cccc2c1CCCN2C(=O)OC(C)(C)C 778571120 YDKHACOSTCCLNC-UHFFFAOYSA-N 435.524 5.285 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cc(Br)ccc3F)n2)cc1 784493086 PJFRTWROCOTCLS-INIZCTEOSA-N 429.314 5.439 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 789461588 ZIRDHCSJHPKYNW-UHFFFAOYSA-N 431.580 6.432 30 20 IKED O=C(/C=C\c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1cc(Br)ncc1F 794711447 LNXOOOOJTJIOMN-BHQIHCQQSA-N 440.194 5.084 30 20 IKED CC(C)[C@H](Oc1ccc(Br)cc1)c1noc(Cc2cccc(OCC#N)c2)n1 795761157 VRCIVHCSJUAHIF-FQEVSTJZSA-N 442.313 5.101 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc2nc(-c3ccccc3)oc2c1 796635451 ZVIBDELNJOUVFU-NRFANRHFSA-N 437.499 5.581 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(C(C)(C)O)cc1 807950127 OOEBTQNGAAOOGO-UHFFFAOYSA-N 437.952 5.196 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Br)c(F)c3)n2)cc1 810531103 FZZLKLSIPLSPHK-HNNXBMFYSA-N 429.314 5.439 30 20 IKED COc1ccc(CCN2C(=O)/C(=C/c3ccc(C#N)cc3C(F)(F)F)SC2=S)cc1 811624909 WNZOWZWZQJIRIN-WQRHYEAKSA-N 448.491 5.030 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(C(C)C)cc1)[n+]1cc(O)cc(-c2ccccc2)c1 811723532 GUOBMVNBZXQXCU-UHFFFAOYSA-O 445.608 5.847 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 812906154 UFCIYEGNVBUTFO-UHFFFAOYSA-N 443.246 5.521 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCc2nc(-c3cccs3)no2)cc1 915293218 JDNVMXWVULDSMY-HXUWFJFHSA-N 428.517 5.415 30 20 IKED Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915777055 GPIYFYKVNPPWSP-XZOQPEGZSA-N 441.531 5.012 30 20 IKED CC(=NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1)c1ccc(OCC#N)cc1 916316704 ISGGNRUDGDMFNO-UHFFFAOYSA-N 447.560 5.381 30 20 IKED N#C[C@@H](C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)c1nc2ccccc2s1 916847924 VZQFWCGDKIPDQV-FQEVSTJZSA-N 439.515 6.393 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1 916919480 YPSJFWKMILQSEN-RUZDIDTESA-N 445.478 5.252 30 20 IKED N#C[C@@H](C(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)cc2)cs1 916976874 VOPOUBNQSMHYGX-SFHVURJKSA-N 440.912 5.440 30 20 IKED O=C1/C(=C/c2cnc(-c3ccccc3)nc2)CSC/C1=C/c1cnc(-c2ccccc2)nc1 917142831 RDULDFRDGBJJOW-QEUMEHMPSA-N 448.551 5.384 30 20 IKED CN(C(=O)c1ccc(NC(=S)Nc2ccccc2C#N)cc1Cl)C1CCCCC1 917585932 PEBIWTBYKXYDFA-UHFFFAOYSA-N 426.973 5.425 30 20 IKED CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 918034701 VUWRBIVQIRMDJE-AREMUKBSSA-N 449.558 5.829 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 918489908 OCVLOJCFRMLJLT-PGRDOPGGSA-N 435.936 5.615 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC2CCN(Cc3ccccc3)CC2)cc1 920278949 GBHHYTVGEGOBKA-MHZLTWQESA-N 438.575 5.376 30 20 IKED Cc1c(C(=O)/C=C\c2ccc(OCc3ccncc3)cc2)nnn1-c1cccc(Cl)c1 920389653 QZOJHWWMJLWLIK-YFHOEESVSA-N 430.895 5.099 30 20 IKED N#C[C@@H](C(=O)COc1c(Cl)cccc1Cl)c1nc(-c2c(F)cccc2F)cs1 920805657 FBIFHRLUONEGAO-JTQLQIEISA-N 439.270 5.650 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(Cl)c(F)c4)cc3)CCC2)C1 1785994867 CETQZUPTQXXPTG-UHFFFAOYSA-N 426.919 5.122 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4c[nH]nc34)CCC2)cc1 1789451638 PSHGBFYFKZIVAC-OAQYLSRUSA-N 428.536 5.079 30 20 IKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)C3=C(C)OCC3)CCC2)cc1)c1ccccc1 1789600162 DLQDJPUXWBSYJZ-RUZDIDTESA-N 442.559 5.012 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3c(F)cncc3F)cc2)CCC1 1789867294 FSPJNSHENNHFCC-UHFFFAOYSA-N 427.495 5.100 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)[nH]n3)cc2)CCC1 1790127172 LAPHVQXITVTKAW-SFHVURJKSA-N 428.536 5.037 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C4CC4)cc3)CCC2)cc1 1790566949 FLVHZWMQBFOXHQ-GOSISDBHSA-N 433.552 5.113 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(Cl)c2)[C@H]1c1cccnc1 1810505540 XSRUKZCZWMCSCB-UNMCSNQZSA-N 439.987 5.047 30 20 IKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)sc3Cl)[nH]n2)C1 1814396464 CLEPEYXBEWPITO-CQSZACIVSA-N 439.368 5.050 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3cc(Cl)ccc23)n[nH]1 1818593582 ZGZIQTVCAAAKHE-VLIAUNLRSA-N 439.947 5.063 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cccc(C)c3[nH]2)n[nH]1 1819024421 GZTKYUKROYCKFN-KNQAVFIVSA-N 445.567 5.274 30 20 IKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(C)C)cc2)CC1 1824501715 ZMKBZGMXFHQCMN-VWLOTQADSA-N 440.628 5.026 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cnccc3c2)CC1 1828200493 RPXLUPUIWPNQFA-RUZDIDTESA-N 447.623 5.461 30 20 IKED CCc1cccc(CC)c1/N=C1\NC(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S1 15231704 SSCXSKSKNRAZJD-KRWDZBQOSA-N 449.498 5.078 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccoc1C 21181577 PFJKCKCJFLCOGR-GOSISDBHSA-N 444.560 5.819 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2cccc(C)c2)cc1 22730385 DIPFJSYPAJQAJA-UHFFFAOYSA-O 425.961 5.386 30 20 IKED Cc1ccc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)o2)cc1 24509979 NCXHRWXCFDNZJI-UHFFFAOYSA-N 449.580 5.571 30 20 IKED CCNc1nc(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nc2ccccc12 26113866 XCFNDTIBZYAHSB-QGZVFWFLSA-N 445.573 5.154 30 20 IKED N#Cc1ccc(CN2CCCN(C(=O)c3sc4cc(Cl)ccc4c3Cl)CC2)cc1 29985141 PUQWOVQHMNKZDC-UHFFFAOYSA-N 444.387 5.428 30 20 IKED C[C@@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cccc2ccccc12 46699116 LMCJZKIJKIRUFK-QGZVFWFLSA-N 440.503 5.053 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(SCc3cccnc3)cc2)o1 59368041 UILDAPGMWRYOEP-UHFFFAOYSA-N 441.512 5.670 30 20 IKED Cc1c(-c2ccccc2)oc2c(C(=O)Nc3cccc(OCCCC#N)c3)cccc2c1=O 59770072 GSWHJQKWLVUSOA-UHFFFAOYSA-N 438.483 5.703 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)N2CCCc3ccccc32)cc1 72074664 WUPRKKMGTKRRIT-GOSISDBHSA-N 427.504 5.139 30 20 IKED CCOC(=O)c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nc1C 107876902 FZSMLWWVPYRJNC-HXUWFJFHSA-N 433.895 5.128 30 20 IKED C[C@H](C#N)Oc1ccc(/C=C2\CSC/C(=C/c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1 110650790 HEJXZUVVQYKXMT-NQRBTSTMSA-N 430.529 5.051 30 20 IKED Cc1ccc(S(=O)(=O)OCP(=O)(OCc2ccccc2)OCc2ccccc2)cc1 196177473 FKDIKCPDQRCZKT-UHFFFAOYSA-N 446.461 5.285 30 20 IKED C[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1cccc(N2CCCC2=O)c1 237599951 KFLTZCIFKSLVER-FQEVSTJZSA-N 425.532 5.115 30 20 IKED N#Cc1cc(C(F)(F)F)ccc1NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 302349866 CZDYSBJZGFCNPZ-UHFFFAOYSA-N 441.375 5.313 30 20 IKED Cc1nnc(SCc2c(C(=O)Nc3ccc(C(C)(C)C#N)cc3)oc3ccccc23)s1 303019538 MKYXJDRAPWMUAH-UHFFFAOYSA-N 448.573 5.939 30 20 IKED Cc1ccc(C)c(N(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C(C)C)c1 303149412 MKQOCHVWZPGORV-UHFFFAOYSA-N 432.524 5.081 30 20 IKED C=CCOc1ccccc1CNC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 303504718 NQSBZOWXTSWFOD-UHFFFAOYSA-N 425.488 5.207 30 20 IKED C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cccc(SCC#N)c2)cc1Cl 429866127 IIPDVFUOOKLCRB-OAHLLOKOSA-N 427.957 5.223 30 20 IKED N#Cc1cc(F)ccc1NC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 435160890 NGAXPUFRXWLPQJ-UHFFFAOYSA-N 429.282 5.633 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)CSCc1ccc(C#N)cc1OC(F)F 439541245 LYEAIYISWHXQBW-UHFFFAOYSA-N 426.872 5.002 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1nc(C(F)(F)F)cs1 443449060 AYDJRMMYBYOHDZ-UHFFFAOYSA-N 426.489 5.119 30 20 IKED N#CCCN(Cc1cccnc1)C(=O)c1oc2ccccc2c1CSc1ccc(F)cc1 460134903 POLLGZNXGAXPFW-UHFFFAOYSA-N 445.519 5.815 30 20 IKED CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1nc2ccccc2s1 460752471 LCLVFPJTLWCUEW-FQEVSTJZSA-N 428.565 5.424 30 20 IKED CC[C@@H](C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)c1c(C)noc1C 464303256 ZHUIWENFPGELMS-LJQANCHMSA-N 443.425 6.107 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(C)CCOc1ccc(C(F)(F)F)cc1 470363577 PHBHCWZZVYROFY-OAHLLOKOSA-N 437.487 5.500 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1c(F)cccc1I 471801128 UNOYSASXRRYCNW-NSHDSACASA-N 440.281 5.077 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@]3(C2)OCc2ccccc23)cc1F 473697052 LBZXDNHXHYVEHJ-VWLOTQADSA-N 429.451 5.153 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1cccnc1-c1ccc(Cl)s1 474529989 ZILFBUOXXGNSAZ-UHFFFAOYSA-N 427.913 5.141 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1cc(COc2cccc(F)c2)ccc1OC 476765386 JTOQSRDSUDXIPW-UHFFFAOYSA-N 426.513 5.695 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)N(CCC(F)(F)F)Cc2ccccc2)CC1 478657643 IBSHHEZGBVSNRG-UHFFFAOYSA-N 445.485 5.412 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(Cl)ccc1O[C@H](C)COC 482358878 FDCSRXJEDAJQMC-QGZVFWFLSA-N 434.968 5.141 30 20 IKED CC(C)[C@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)S(=O)(=O)C1CCCCC1 483471710 QUUUOJAGPREMLA-HSZRJFAPSA-N 440.565 5.061 30 20 IKED N#Cc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1C(F)(F)F 485890669 SYENGRBJWRHNDS-UHFFFAOYSA-N 441.365 5.317 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CCc2c(Br)cccc21 492727909 LPICCZSRIWGFNK-FQEVSTJZSA-N 431.378 5.002 30 20 IKED C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@@H]1OCCc2sccc21 494940730 UBSPNVIRZUZTAM-OSPHWJPCSA-N 447.560 5.217 30 20 IKED Cc1ccc(C(=O)N(CC#N)c2ccccc2)cc1NC(=O)c1ccc(Br)cc1 495548359 PSOPNNXXYJEHCG-UHFFFAOYSA-N 448.320 5.180 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](c1ccccc1)c1cccc2ccccc12 496614360 YMMCQHAFSPCOLB-MHZLTWQESA-N 440.543 5.802 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cc(C(F)F)ccc2Cl)cc1 497275335 JPLWLBCAAAEDQC-UHFFFAOYSA-N 443.856 6.523 30 20 IKED N#Cc1cc(C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)cnc1C(F)(F)F 497691347 COEZZFQVMVGEII-UHFFFAOYSA-N 427.348 5.011 30 20 IKED COc1cccc(C[C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 497761299 KBKYNMYKFKCGAG-KRWDZBQOSA-N 433.483 5.038 30 20 IKED Cc1cn(-c2ccccc2Cl)nc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 500443960 WMQQIQWMDVSXSB-CYBMUJFWSA-N 425.826 5.069 30 20 IKED CCc1ccc(Cl)c(CC)c1NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 501122659 RASVTPHZSPZVIM-UHFFFAOYSA-N 447.970 5.239 30 20 IKED N#Cc1ccc(CN(C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)C2CC2)cc1 504941740 JOKFZDREJOWTAA-DEOSSOPVSA-N 430.939 5.265 30 20 IKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc12 513677198 RZZJEJKMNIBELE-CQSZACIVSA-N 448.960 6.149 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(CSc2nc3c(c(C)c2C#N)CCC3)cs1 515605706 OJCKDAZIIPCPEV-UHFFFAOYSA-N 438.553 5.323 30 20 IKED C[C@@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 515775118 ADSGVMKFKHJUOX-QGZVFWFLSA-N 444.510 5.762 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cccc(OCc3cccc(Cl)c3)c2)n1 516796032 DUIHXTYEMCPYRN-SFHVURJKSA-N 440.908 5.042 30 20 IKED Cc1nc(CSc2ccc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2)cs1 517078395 AZAXYZDFWFPFOA-UHFFFAOYSA-N 449.601 5.299 30 20 IKED C[C@@H](COc1cccc(F)c1)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 518180086 MYUDRNQTOJCTER-SFHVURJKSA-N 433.483 5.060 30 20 IKED CCCC(=O)Nc1ccc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 519196879 UXNQEZGRBPSRGR-UHFFFAOYSA-N 428.492 5.411 30 20 IKED COc1ccc(CCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1Br 519515650 PZJKFPLGQOYMCW-AWEZNQCLSA-N 433.371 5.423 30 20 IKED N#C[C@H](C(=O)c1ccc(Br)s1)c1nc(-c2c(F)cccc2F)cs1 521259683 UEOUBHGLAPPLNK-MRVPVSSYSA-N 425.279 5.402 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(OCC2CCOCC2)cc1 523006775 PSTHKQQOTMAQDQ-QGZVFWFLSA-N 425.554 5.388 30 20 IKED Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 523727753 KNZNMHAWURMRRN-FQEVSTJZSA-N 442.972 5.191 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)o2)cc1 524384997 COXXLYVWWIUIMN-GOSISDBHSA-N 443.528 5.360 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(NC(=O)C(C)C)cc1 524388961 GPSRQOJNLBJMIZ-UHFFFAOYSA-N 427.504 5.293 30 20 IKED CCc1nn(C)c(CC)c1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 532852251 JQUVMBUEHXPVRF-LJQANCHMSA-N 435.959 5.175 30 20 IKED CC[C@H](C)n1nc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1C 537211628 ORRQNGAJZNCHGK-INIZCTEOSA-N 447.564 5.017 30 20 IKED Cc1ccc(-n2c(SCCCC3(C#N)CCOCC3)nnc2-c2ccccn2)c(C)c1 537509595 RZGWVXWLLVMVMF-UHFFFAOYSA-N 433.581 5.139 30 20 IKED Cc1nc(-c2cc3c(s2)CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)C3)cs1 537927708 PBZTXGPUIWCDTE-UHFFFAOYSA-N 438.578 5.429 30 20 IKED CCN(C(=O)c1ccc(NC(=O)c2ccc(OC)cc2)s1)c1ccc(C#N)c(Cl)c1 538073768 LLWYZXHGCNRLRR-UHFFFAOYSA-N 439.924 5.201 30 20 IKED CC(=O)c1ccc(Oc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cc2)cc1 541200192 COPAXICQMGRYFC-HXUWFJFHSA-N 445.425 5.916 30 20 IKED C[C@@H]1C[C@H](c2cccnc2)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 543606570 IHCBAGHOEPZHIS-UZUQRXQVSA-N 430.483 5.286 30 20 IKED C[C@@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccc(-c2cccc(C#N)c2)cc1 555141046 APAMAKLGXNXFDS-GOSISDBHSA-N 428.492 5.079 30 20 IKED C[C@@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 565355921 HIMGFENEMXFMCS-LJQANCHMSA-N 442.538 5.269 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl 568370602 UMLUJBDFDCNXSP-HNNXBMFYSA-N 444.000 5.649 30 20 IKED Cc1cc(CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)ccc1Oc1ccc(F)cc1 569710524 XNEQDBQUGXANOJ-UHFFFAOYSA-N 444.510 5.088 30 20 IKED C[C@@H](NC(=O)N(C)C[C@H]1OCCc2ccccc21)c1ccc(-c2cccc(C#N)c2)cc1 571474745 FNLNYLHILONUDA-NIYFSFCBSA-N 425.532 5.242 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1 584501386 ACGWKLBTVYHRCD-UHFFFAOYSA-N 446.519 5.056 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc(Cl)cc(F)c3Br)cn2)cc1 585697109 SPRJVCYEOZFICY-UHFFFAOYSA-N 446.663 5.553 30 20 IKED C=C(C)CN(CC)C(=O)[C@H](C)S[C@H](C)c1nc(O)c2c(-c3ccco3)csc2n1 600037459 UQSGJLNLZDTVMB-KGLIPLIRSA-N 431.583 5.264 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cn2)c1 603691761 BSCPCRCUDDNEGU-UHFFFAOYSA-N 438.491 5.033 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 604103073 RSRMDIIFJVDSPU-UHFFFAOYSA-N 430.851 5.615 30 20 IKED C=CCOc1cccc(NC(=O)N2CCC([C@H](CC(=O)OCC)c3ccccc3)CC2)c1 604364506 KSAUCUNVXCWEGL-XMMPIXPASA-N 436.552 5.232 30 20 IKED O=C(c1csc(Cc2ccccc2F)n1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 605087177 OMVFIEVSLDAXJI-VXGBXAGGSA-N 440.384 5.076 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ccc(Br)s2)n1)c1nc2ccccc2o1 606753913 OTHYAJDWXOEHQI-VIFPVBQESA-N 430.308 5.265 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c1 608808181 UGYBAFBJTNEDLB-AZUAARDMSA-N 426.394 5.035 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1C#N 608876232 GSBMDKBWZMWASZ-UHFFFAOYSA-N 441.516 5.172 30 20 IKED CCCN(CCc1ccccn1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 609207423 YYIPAQNHFWEIPG-UHFFFAOYSA-N 428.536 5.213 30 20 IKED N#CCCSc1ccccc1NCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 609385931 UEOAGHOCKQUHPH-UHFFFAOYSA-N 425.941 5.334 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NCc3ccc(-c4ccc5c(c4)CCO5)cc3)cc2)nc1 609502655 VAWNZQUYJWINCR-UHFFFAOYSA-N 447.494 5.277 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@H](c4nc5ccccc5o4)C3)c2)cc1 609659754 VGUSAEXZDCQUHD-QFIPXVFZSA-N 437.499 5.298 30 20 IKED COC(=O)C(C)(C)c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 610205788 UZNDJAJOCBAUAT-UHFFFAOYSA-N 444.556 5.553 30 20 IKED N#Cc1cc(NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)nc2ccc([N+](=O)[O-])cc12 610246243 VATCYUGQSDEABL-GHMZBOCLSA-N 432.324 5.336 30 20 IKED O=C(NCC1(c2ccc(F)cc2)CC1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612805367 HUFKBQSIOTWULH-NHAGDIPZSA-N 426.376 5.066 30 20 IKED N#C[C@H](C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1nc(-c2ccccc2)cs1 613392198 LFSLCSBTMWGMEK-OAQYLSRUSA-N 438.512 5.944 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1OC 617348279 QTYNQJUSEOGTHI-UHFFFAOYSA-N 426.856 5.011 30 20 IKED C=CCOc1c(Cl)cc(CNc2ccc(C(=O)N3CCC(C)CC3)cc2)cc1OC 630068360 VBBXYODKCGTHOT-UHFFFAOYSA-N 428.960 5.398 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@@H](c1ccc(F)cc1)c1cccs1 642662904 JOTUEBUDOSFRON-FQEVSTJZSA-N 432.442 5.346 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC[C@@](F)(c2ccccc2)C1 670108254 XBVYIZMFWGUNPS-HWMZRRJGSA-N 426.376 5.176 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(Cl)cc1C(F)(F)F 681130055 UAQUIDJLGCFGPI-MBTKJCJQSA-N 441.721 5.998 30 20 IKED CCOc1ccc(OCC)c(NC(=S)Nc2ccc(Oc3ccccc3C#N)cc2)c1 726901474 FQSOBCUVVHJKFW-UHFFFAOYSA-N 433.533 5.957 30 20 IKED Cc1sc2nc(/C(Cl)=C/c3cccc(OCC#N)c3)nc(O)c2c1-c1ccccc1 727743534 BPWBLWTXGDTUHX-AQTBWJFISA-N 433.920 6.012 30 20 IKED CCN(Cc1ccccc1NC(=O)CSc1ccc(C#N)cc1)C(=O)OC(C)(C)C 728516280 IELKTEIOMLBWFW-UHFFFAOYSA-N 425.554 5.046 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 729337872 LAPWJJCIXNQGBH-HXUWFJFHSA-N 437.540 5.330 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1sccc1SC(F)F 730996690 YORBLWSDWHSTQZ-UHFFFAOYSA-N 438.468 6.340 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1sccc1SC(F)F 731076314 BNGZQGRKLHMTKA-NSHDSACASA-N 442.534 5.110 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)ccc1F 731198530 LHFCHWCYPBKUQD-HXUWFJFHSA-N 425.504 5.465 30 20 IKED N#CCOc1ccccc1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 733234094 LUHBKDWFDSEGNZ-UHFFFAOYSA-N 431.345 5.186 30 20 IKED CC(C)(C)OC(=O)N1CCCC[C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 733621670 LUMHCEKMQFSQAN-XZOQPEGZSA-N 448.567 5.253 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(N3CCc4sccc4C3)cc2)cc1 733629077 BLFSSZXQSZTDAP-UHFFFAOYSA-N 447.564 5.262 30 20 IKED C[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc2c(c1)CC(=O)N2C 735009949 SYWNCEFTSMSGHG-OAHLLOKOSA-N 445.906 5.014 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2cc(-c3ccccc3)on2)cc1 735879818 FVFVOCARXQFIHU-UHFFFAOYSA-N 425.444 5.195 30 20 IKED CC[C@@H](C)NC(=O)c1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 740443123 BQHKBTQNHOTAFH-MRXNPFEDSA-N 432.549 5.137 30 20 IKED N#Cc1ccc(F)c(CNCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1 742381661 BMGYRCQIJIMKTA-UHFFFAOYSA-N 428.294 5.546 30 20 IKED N#CCOc1ccc(Cl)cc1CSCc1ncc(-c2ccccc2Br)o1 742969881 DQJOOBUWMUYYBK-UHFFFAOYSA-N 449.757 6.093 30 20 IKED N#Cc1cccc(COc2ccc(NC(=S)N[C@H]3CCc4ccccc4C3)cc2F)c1 742993854 CKZSXSMWOZMUMA-NRFANRHFSA-N 431.536 5.120 30 20 IKED CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 743094930 FOXDGNQHDZHSGL-UIOOFZCWSA-N 429.539 6.212 30 20 IKED CC(C)n1ncc2cc(C=NNc3nc4cc(C(F)(F)F)ccc4s3)c(Cl)nc21 743445081 CQEFBJAIHMSWIS-UHFFFAOYSA-N 438.866 5.740 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)o1 744035688 OXYNNONGXKNHCC-CYBMUJFWSA-N 431.901 5.057 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cnn(-c3ccccc3)c2C(C)C)ccc1OC 753149281 JRMXITNOYXPURV-FQEVSTJZSA-N 447.539 5.007 30 20 IKED C[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nc(-c2ccccc2)no1 760738732 ZQUZAKCEZOEJRO-MBSDFSHPSA-N 437.503 5.317 30 20 IKED C#C[C@@H](C)N(C)C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 767263001 AGWPSMLVYZOZAP-OAHLLOKOSA-N 425.604 5.049 30 20 IKED Cc1nc(C2CCCCC2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 775226462 DSKRVGUCHKPRAB-CQSZACIVSA-N 436.364 5.767 30 20 IKED N#CCOc1ccc(Cl)cc1CN[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 776450746 IKCPLLMDVKPIDJ-QFIPXVFZSA-N 434.902 5.262 30 20 IKED N#Cc1ccc(N2CCC[C@H]2C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 777303630 DMGICFXPZJXLJI-FPOVZHCZSA-N 432.936 5.180 30 20 IKED C=CCOc1c(Br)cc(CNc2ccccc2O[C@@H](C)C#N)cc1OCC 779995881 XNUZOTDDIGKQBN-HNNXBMFYSA-N 431.330 5.316 30 20 IKED Cc1cc(Br)cc(NC(=O)c2ccc(C#N)s2)c1NC(=O)OC(C)(C)C 784690563 PWXZXRNJCNEFNW-UHFFFAOYSA-N 436.331 5.290 30 20 IKED CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N2CCC[C@](C)(C#N)C2)c1=S 784748910 UOFRFCAEWNOJGP-JOCHJYFZSA-N 446.020 5.077 30 20 IKED C=C(Br)CNC(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1 787211464 NAODLYLXHXKYGM-MHWRWJLKSA-N 443.366 5.260 30 20 IKED Cc1csc(SCc2ccccc2C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)n1 797567610 KGESQSGTLWWQBS-INIZCTEOSA-N 427.620 5.988 30 20 IKED C[C@H]1CCCN(c2ccc(CNCc3cn(CCC#N)nc3-c3ccccc3)cc2Cl)C1 800277100 SNLDIVVMFIPIPZ-FQEVSTJZSA-N 448.014 5.643 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(Br)ncc2Cl)cc1 806449790 CIULCNYAUUUWCO-KRWDZBQOSA-N 426.701 5.405 30 20 IKED O=C1/C(=C/c2csc(-c3cccc(Br)c3)n2)C[C@H](C(=O)O)c2ccccc21 806561444 VJUCLNUCJCUKHZ-FUNAXGEOSA-N 440.318 5.411 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(I)c2)cc1 915085815 FFMMNQSZWODOTL-HXUWFJFHSA-N 438.268 5.199 30 20 IKED Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)n2)n1 915087396 TVJDAMGEOSQEKU-NRFANRHFSA-N 441.922 5.445 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)cc1 915199750 KPBMRLJMHSVARO-XMMPIXPASA-N 438.527 5.564 30 20 IKED FC(F)Oc1ccc(Cl)cc1C=Nn1cnnc1SCc1ccc(Cl)cc1 915955888 LEXOCMWNTHMYQR-UHFFFAOYSA-N 429.279 5.361 30 20 IKED CCOc1ccc(O)c(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)c1 916272708 IXDJFBHMQHBQPX-UHFFFAOYSA-N 439.924 5.073 30 20 IKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(Br)s1 916278759 UIOUSRGWIPSNOA-UHFFFAOYSA-N 429.368 5.017 30 20 IKED N#C[C@@H](C(=O)COc1ccccc1-c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 916977719 XHBDUCUFCNJJSR-NRFANRHFSA-N 444.943 6.386 30 20 IKED COc1ccc(/C=C\C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC 917044297 SHIFYRMSRBNNGK-JHAQOBCDSA-N 432.423 5.222 30 20 IKED C[C@@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)c1nnc(-c2cccc(Cl)c2)o1 917327631 KKLNNTBYHFVQJX-CQSZACIVSA-N 449.850 5.352 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccc(C(F)(F)F)cc2)NC1=O)Nc1ccc2ccccc2c1 917637187 ZTEJIOQJZNDZRU-SFHVURJKSA-N 443.450 5.107 30 20 IKED C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F 919920359 TYHKASAVKUTJAY-GARJFASQSA-N 436.318 5.539 30 20 IKED CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c2ccccc12 919927386 LWEHZFCUPQOATJ-UHFFFAOYSA-N 435.530 5.034 30 20 IKED Cc1c(C(=O)O)oc2c1C(=O)/C(=C/c1csc(-c3ccc(C(F)(F)F)cc3)n1)CC2 920067806 CXXMHAYSMZHGIB-XYOKQWHBSA-N 433.407 5.641 30 20 IKED Cc1cccc(OCCCCC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1 920106371 OTWPFCRUBGLMOB-GOSISDBHSA-N 435.549 5.010 30 20 IKED C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(C(F)(F)F)cc1 920108858 BAMYQEDJWPANDG-XHDPSFHLSA-N 443.252 5.853 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC)cc3Cl)cc2)CCC1 1792141650 HJCHTNHHZARJIG-UHFFFAOYSA-N 444.984 5.016 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)cc(F)c2F)[nH]n1 1814828321 GHRIMWUYAMJEEP-FQEVSTJZSA-N 442.510 5.071 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sccc2Cl)[nH]n1 1819307734 MQNQZNKETGZIET-YOEHRIQHSA-N 432.977 5.199 30 20 IKED CC(C)c1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)cc1 1820484972 XRIITJQFYPINMX-QHCPKHFHSA-N 441.535 5.024 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C3CCCC3)[nH]n2)c1 1823218769 WLEIYERJXRMIMB-KXFVRWNPSA-N 445.567 5.089 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(Cl)s2)CC1 1825033819 WFRBAQMYLRIHDR-LEWJYISDSA-N 449.060 5.332 30 20 IKED C[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1828482225 GUJANVGEEPNUHT-YFNKSVMNSA-N 444.736 5.093 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3occc3c2)CC1 1829066646 OYCLZNRDNHXILQ-HSZRJFAPSA-N 436.596 5.659 30 20 IKED Cc1ccccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830723117 WTBOGMALVVHMJX-XMMPIXPASA-N 449.982 5.067 30 20 IKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 1831563553 WSUWCVAUCOPTIO-ADHNFCLRSA-N 436.706 5.023 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)nc2cc(Cl)ccc2c1=O 9085725 VKVPGMRRSIEURW-MRXNPFEDSA-N 441.984 5.280 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccccc2CC)cc1 11259086 CAHFBEVWFZDNNY-UHFFFAOYSA-O 438.016 6.112 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1ccccc1OC 17709144 NVTZSNNGLKAWHV-INIZCTEOSA-N 433.537 5.351 30 20 IKED C=CCn1c(SCC(=O)Nc2cccc(Oc3ccccc3)c2)nnc1-c1cccnc1 18404831 AHAGIPMAMRRURM-UHFFFAOYSA-N 443.532 5.049 30 20 IKED C=CCn1c(SCc2nnc(-c3cc(C)c(CC)s3)o2)nnc1-c1cccc(C)c1 18771206 NXEFTPZPFSPCFB-UHFFFAOYSA-N 437.594 5.714 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)nnc1-c1ccco1 29547651 YNBJFQVYAMTCLU-OAQYLSRUSA-N 446.532 5.205 30 20 IKED Cc1cc(C)cc(N/C(S)=C(\C(=O)c2cc(Cl)ccc2Cl)[n+]2cccc(C)c2)c1 35107927 AIKAWOWKMQBQAT-UHFFFAOYSA-O 444.407 6.257 30 20 IKED CN(C(=O)CSc1ccccc1C(=O)Nc1ccc(Cl)c(C#N)c1)C1CCCCC1 105415200 JEASCBXCYHBPCF-UHFFFAOYSA-N 441.984 5.347 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 107744267 AXLWBDXVFOFMME-QHCPKHFHSA-N 440.952 5.347 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 107744272 AXLWBDXVFOFMME-HSZRJFAPSA-N 440.952 5.347 30 20 IKED Cc1ccc(CN(Cc2ccco2)C(=O)CSc2nc(C)c(C)c(C)c2C#N)s1 115963895 KBIQECZFDFBDPV-UHFFFAOYSA-N 425.579 5.163 30 20 IKED COc1cc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)ccc1SC 116144129 WBNSRAHXDDZURP-UHFFFAOYSA-N 443.638 5.080 30 20 IKED Cc1nc2c(cnn2C(C)C)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 195556914 OZCDEKMIWGWCOQ-GOSISDBHSA-N 435.940 5.588 30 20 IKED N#CCCCCSc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1 195564323 HUNZHJWTMKJYBR-UHFFFAOYSA-N 437.619 5.955 30 20 IKED CC(C)c1cccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 255951466 MAHUTVOEGCBJQB-UHFFFAOYSA-N 429.545 5.665 30 20 IKED C=CCOc1cccc(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)c1 303069672 ZSPIBIYGIMJQBP-XNMGPUDCSA-N 440.543 5.370 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)CCc1ncc(-c2ccccc2)o1 303118018 PDMQXMCEYBCFSG-UHFFFAOYSA-N 443.316 5.391 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3cccc(-c4nc(C5CC5)n[nH]4)c3)c2)c1 303575784 CPDVTFIHMBWDJV-UHFFFAOYSA-N 435.487 5.052 30 20 IKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)N(CCC#N)CC1CC1 429041283 ACGCWLYAAWMQEO-UHFFFAOYSA-N 444.457 5.424 30 20 IKED COC1CCC(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 429078532 YHUCWRQRMMEKAF-UHFFFAOYSA-N 427.932 5.117 30 20 IKED CCCc1c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cnn1-c1ccccc1C 429271669 JJHSMBSJTRAYTB-UHFFFAOYSA-N 437.503 5.445 30 20 IKED N#CCSc1cccc(C(=O)N(CCc2ccccc2)c2nc3ccccc3s2)c1 429973161 NAUTWBMOGVPFRX-UHFFFAOYSA-N 429.570 5.801 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)C3(Cc4ccc(F)cc4)CCOCC3)c2)c1 431993294 QPSXCVZYGHYPPC-UHFFFAOYSA-N 444.506 5.254 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1ccccc1 433164741 ADPGUDSZZJJOPD-NLGDKJDOSA-N 445.588 5.692 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1ccc(F)cc1C#N 433969941 OEYFIJSKZBEZGP-UHFFFAOYSA-N 431.851 5.364 30 20 IKED COc1ccc(-c2ncc(C(=O)Nc3sc4c(c3C#N)CCCCC4)s2)cc1OC 435667657 OAPRPQPMTOSEBS-UHFFFAOYSA-N 439.562 5.282 30 20 IKED CCCCOC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 437769306 DEXUPKIRQOOWNZ-JOCHJYFZSA-N 425.960 5.808 30 20 IKED COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccc(F)c(C#N)c1)CCO2 437987805 PXOMJFPMXKQKKA-QHCPKHFHSA-N 431.467 5.264 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 438038213 ABUVYUHYGGNBCC-WWMYMODYSA-N 428.627 5.347 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@H](C)C[C@H]2c2cccc(F)c2)cc1 438181144 DLCYLVGANHMBRG-HXOBKFHXSA-N 445.494 6.113 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 438655142 XOHPWEXCCMBAMF-FCHUYYIVSA-N 432.911 5.831 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC[C@H](Cc2nccn2C)C1)c1ccc(C(F)(F)F)cc1 442285046 PCKNQLWXCCFHBG-YLJYHZDGSA-N 434.506 5.111 30 20 IKED N#C[C@@H](C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1cnc2ccccc2n1 442514045 HJKFIOVDZIADHS-MRXNPFEDSA-N 426.457 5.179 30 20 IKED CC(C)c1nc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)nn1-c1ccccc1F 442693892 QODRSEUCSLSOON-CYBMUJFWSA-N 439.903 5.283 30 20 IKED N#Cc1cc(NC(=O)C(=O)Nc2ccc(SC3CCCC3)cc2)ccc1OC(F)(F)F 443333187 ZFBGBFNUIJXHBM-UHFFFAOYSA-N 449.454 5.069 30 20 IKED N#Cc1ccc(NC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)cc1C(F)(F)F 443875964 HKKLLDZJCZRSBY-UHFFFAOYSA-N 439.422 5.139 30 20 IKED CC[C@H](N[C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F)c1ccc(C#N)cc1 447577666 AXJZQVGAMJJKML-BJKOFHAPSA-N 440.515 5.070 30 20 IKED N#Cc1cccc(-c2nnc(N3CCC[C@H]3c3cccc(F)c3)n2Cc2cccs2)c1 461497852 QJLGFCCQJPWLNX-QFIPXVFZSA-N 429.524 5.407 30 20 IKED COc1ccc([C@H](NC(=O)[C@H](C)c2cccc(C#N)c2)c2ccccc2)cc1Br 463951978 CJTDLFQPHYTSLY-WAIKUNEKSA-N 449.348 5.339 30 20 IKED Cc1ccc(-n2cc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)c(C(C)(C)C)n2)cc1 464406236 ZTNHMLZHVSBRNE-KRWDZBQOSA-N 426.442 5.382 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)NCCOc2ccc(C#N)cc2)cc1 466101790 JPDNWROEXFOKIS-LJQANCHMSA-N 429.520 5.015 30 20 IKED CCCN(C(=O)Nc1ncccc1OCCCC#N)[C@@H](C)c1ccccc1Br 466601900 TYMUOWCLHLCSJY-INIZCTEOSA-N 445.361 5.532 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(Br)cc1OC 469326343 GWOPASYGKHUACO-OAHLLOKOSA-N 430.346 5.012 30 20 IKED N#CCCSc1ccccc1NC(=O)c1cc(I)ccc1Cl 471266958 XBDMHVMCUCMVGI-UHFFFAOYSA-N 442.709 5.203 30 20 IKED C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 472194780 VHPWPHDJDUPYCJ-ICCXJUOJSA-N 436.318 5.681 30 20 IKED CS(=O)(=O)c1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)ccc1Cl 472749673 LDJFDYQDFWPDFD-UHFFFAOYSA-N 442.949 5.019 30 20 IKED CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)C1(c2ccc(C#N)cc2)CC1 473178415 XAUGACPAVQHGGE-UHFFFAOYSA-N 431.511 5.255 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 475545517 DLFQHXCVWCHBDB-UHFFFAOYSA-N 425.960 5.182 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)nnc1-c1ccco1 480585065 UKAJVMLOCRCXAY-UHFFFAOYSA-N 449.536 5.117 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccc(C)cc1 481374190 RIUKWFPKMXSADY-HNNXBMFYSA-N 437.956 5.996 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(Br)c(F)cc1F 482419903 HBKJSXVPYUJJNY-UHFFFAOYSA-N 427.293 5.115 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cnn1-c1ccccc1Cl 483283242 LZBDNVRQRGGUTI-QGZVFWFLSA-N 443.919 5.319 30 20 IKED CC[C@@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 485862825 FVOBXTPWVHJGAQ-VWLOTQADSA-N 441.531 5.076 30 20 IKED COc1cccc(/C=C(/CC(=O)NCc2cccc(C#N)c2)c2nc3ccccc3s2)c1 487540425 JJLIYOIEJVDAIT-BKUYFWCQSA-N 439.540 5.424 30 20 IKED CCOc1ccc(-n2c(SCc3cccc(F)c3C#N)nnc2-c2cccnc2)cc1 488253078 PIYZOEMSLRQRMN-UHFFFAOYSA-N 431.496 5.031 30 20 IKED CC(C)CCn1ncc(NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1C(C)C 488342604 DRNQWHKAPBXRHH-KRWDZBQOSA-N 441.601 5.024 30 20 IKED Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C 489365247 ROHYQDUSAPTFPY-RRQZXNHTSA-N 447.579 5.027 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Cc2coc(-c3ccc(F)cc3)n2)cc1 499390315 NUYIWTZMJRFMIM-UHFFFAOYSA-N 443.453 5.263 30 20 IKED COc1cc(Br)ccc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 499781759 ZTSJAPMVUILIEF-UHFFFAOYSA-N 439.334 5.409 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)c1 502295887 YDNMYMGAERFFHC-UHFFFAOYSA-N 439.544 5.085 30 20 IKED CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1nc(-c2ccccc2C(F)(F)F)cs1 503153575 SIZVQSVZYOMKCP-LJQANCHMSA-N 439.459 5.029 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl 503305337 ZUAWNOVYWUXHAM-BLLLJJGKSA-N 448.375 5.130 30 20 IKED CN(C)C(=O)c1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 503580287 YLPFNQJAUNZJNE-INIZCTEOSA-N 444.343 5.309 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@H](C#N)C2CCCCC2)c(OC)c1 506529761 CLTIKKLYKOZTCC-DEOSSOPVSA-N 445.563 5.373 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C 506738804 UUECQTBQXMASDK-OAHLLOKOSA-N 436.537 5.280 30 20 IKED C=CCn1c(CCc2ccco2)nnc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1 508469895 ANVJBPYLUZWIEN-UHFFFAOYSA-N 437.931 5.021 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NC3(Cc4cccc(F)c4)CCOCC3)c2)cc1 508604728 ITICMIIPFMXTLX-UHFFFAOYSA-N 430.479 5.011 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N(C)[C@H]1CCSc2ccc(Br)cc21 509235285 MPFXGPKLKAHREU-KRWDZBQOSA-N 446.370 5.420 30 20 IKED CCOc1ccc([C@H]2CCCN2C(=O)CSc2nc(-c3ccccc3)ccc2C#N)cc1 510218455 RDIUHLYHYKCSCB-XMMPIXPASA-N 443.572 5.475 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 510225589 CEAZTIXGRPCWDA-MWTRTKDXSA-N 425.488 5.506 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 510225596 CEAZTIXGRPCWDA-QMHKHESXSA-N 425.488 5.506 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1coc(-c2cccs2)n1 510500901 HLWGYHHJSFBWCG-UHFFFAOYSA-N 430.489 5.697 30 20 IKED CCOc1cc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1OC 512731230 RQNRKDFFGLGMTO-NRFANRHFSA-N 449.938 5.724 30 20 IKED CC(C)C(=O)Nc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 516843037 VGBWFWYFMWIKCP-UHFFFAOYSA-N 429.545 5.697 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(Cl)c2c(c1)OCO2 518146654 BIKNZLTVMKZKDZ-CYBMUJFWSA-N 434.970 5.335 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 518682979 CJHASJAFHKPYAN-CQSZACIVSA-N 434.392 6.442 30 20 IKED CCN(Cc1cccc(Br)c1)C(=O)Nc1ccccc1S[C@H](C)CC#N 518756071 XFKQQXIOTQQNCT-OAHLLOKOSA-N 432.387 5.897 30 20 IKED N#C[C@@H](C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1nc(-c2c(F)cccc2F)cs1 518870504 AUQMQJBNWJFZOA-LBPRGKRZSA-N 425.372 5.233 30 20 IKED Cc1noc(C2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)n1 519186638 KSAWRGACEZWXQP-FQEVSTJZSA-N 435.915 5.098 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)c1 520706191 WGYUHAMKAOKUMZ-UHFFFAOYSA-N 436.386 5.742 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 521747818 ALSPTHHKNFSOCK-INIZCTEOSA-N 437.515 6.128 30 20 IKED Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 522573448 VTLXEGZRKWIIJJ-UHFFFAOYSA-N 445.906 5.913 30 20 IKED CCCn1c(C)c(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)c2cc(OC)ccc21 523529735 ISTNFAWSLHNMIT-UHFFFAOYSA-N 441.535 5.295 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1 523697157 IPHDVMQRLDWFAF-TZIWHRDSSA-N 443.469 5.197 30 20 IKED N#C[C@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1ccc(F)cc1 524320907 YTQLGAQPRGMJRZ-FQEVSTJZSA-N 430.414 5.040 30 20 IKED C[C@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@H](c2ccc(F)cc2)O1 525090826 KZBPNFARNOOXLQ-AVRWGWEMSA-N 430.479 5.286 30 20 IKED N#C[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)c1ccc(OC(F)(F)F)cc1 530876985 WVYOCZUXNDSZPZ-CQSZACIVSA-N 428.197 5.368 30 20 IKED COc1ccc([C@H](NCc2cc(C#N)ccc2F)c2ccccc2)cc1Br 531389803 FGDCCHMOVSKSEF-JOCHJYFZSA-N 425.301 5.348 30 20 IKED CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 531775351 XVMTWHRPQTUMAJ-FPOVZHCZSA-N 448.958 5.367 30 20 IKED C=CCN(C(=O)CSC1CCOCC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 534420192 FKHACIOZHZCDKN-UHFFFAOYSA-N 443.421 5.548 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 536817837 SGNOEYAQSMXMSK-WIYYLYMNSA-N 439.437 5.088 30 20 IKED CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2ccccc2Oc2ccccc2C#N)c1 538654792 CCXKMIKVPJCSDH-UHFFFAOYSA-N 448.544 5.316 30 20 IKED CN(C(=O)c1c[nH]c(C#N)c1)[C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 538708398 IDUDSSHZYQSFLO-IBGZPJMESA-N 428.717 5.164 30 20 IKED Fc1ccc(-c2noc(CN[C@H](c3ccc(OC(F)(F)F)cc3)C(F)(F)F)n2)cc1 541085294 ODSCWNBXFBWJTN-OAHLLOKOSA-N 435.299 5.168 30 20 IKED C[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)C(c1ccccc1)c1ccccc1 542559006 KQSDBJZPIFFNBK-RTWAWAEBSA-N 443.616 5.687 30 20 IKED COC(=O)c1ccc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1 543053139 XVGHSUHHRDMCRL-CYBMUJFWSA-N 449.269 5.497 30 20 IKED Cc1noc(C)c1CCN[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 543980951 UYWVPIKZRYWDHH-CQSZACIVSA-N 434.302 5.765 30 20 IKED O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CC12CCOCC2 544027940 UTKZADORRIRKFZ-QWHCGFSZSA-N 449.313 5.261 30 20 IKED COc1cc(OC)c(-c2noc(-c3cccc(Oc4ccc(C#N)cc4)c3)n2)cc1OC 546250127 NXXPCWFLJMPYRG-UHFFFAOYSA-N 429.432 5.093 30 20 IKED N#Cc1ccc(Oc2cccc(-c3nc(CN(C(=O)c4ccccc4)C4CC4)no3)c2)cc1 546431283 IQDLPERNMFCCGM-UHFFFAOYSA-N 436.471 5.205 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@@H](c2ccccc2)c2cccc3ccccc23)CC1 548831799 FYXYBTSMLWSSCY-MHZLTWQESA-N 446.554 5.591 30 20 IKED Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 556675666 DASPAMUOEZEGEZ-UHFFFAOYSA-N 436.515 5.207 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1 558138585 NANILZRQKJAKOX-INIZCTEOSA-N 433.895 5.555 30 20 IKED COC(=O)C[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccc2ccccc12 558342885 FNBLXOGHHXSKAH-HTAPYJJXSA-N 447.560 5.660 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(OCCC(C)C)CC1 558963351 KDKZRXGCYDLYNO-IBGZPJMESA-N 430.568 5.165 30 20 IKED C[C@H](CCNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1cccc(C(F)(F)F)c1 586791639 HCCJNZLWYNHOKK-MRXNPFEDSA-N 447.476 5.243 30 20 IKED N#C[C@@H](C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1nc2cc(F)ccc2s1 592973366 FACWEIWISMMYKF-SFHVURJKSA-N 439.475 5.173 30 20 IKED CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 602997681 OUZBWUWBYDEFKX-UHFFFAOYSA-N 433.518 5.014 30 20 IKED Cc1csc(Sc2ccc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)cc2[N+](=O)[O-])n1 603835676 GJUBEHJVBUWVTN-INIZCTEOSA-N 446.513 5.549 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(-c4ccccc4F)o3)c2)c1 603995361 HFNZFQUQPGSRKV-UHFFFAOYSA-N 425.419 5.462 30 20 IKED CCCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)[nH]c(C)c1C(=O)OC 609072477 NCCVWANFHVAYFF-UHFFFAOYSA-N 445.519 5.074 30 20 IKED CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609208671 DRKQKZNNIRJSSX-UHFFFAOYSA-N 442.519 5.106 30 20 IKED CCOc1cccc2cc([C@@H](C)NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)oc12 609497933 WNSAZEXLQWYVPA-MRXNPFEDSA-N 427.460 5.381 30 20 IKED N#C[C@@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccccc1Br 609593163 QGQQGSLWZCMTLI-MRXNPFEDSA-N 425.307 5.065 30 20 IKED COCCOCc1cccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 609602019 XFAKCUHJDCTJTM-UHFFFAOYSA-N 449.482 5.083 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCO[C@H](c4ccccc4Cl)C3)c2)c1 609662323 ORTRMRDWPYCHRA-DEOSSOPVSA-N 432.907 5.004 30 20 IKED Cc1cc(OCc2ccccc2)ccc1NC(=O)c1occc1COc1cccc(C#N)c1 609755868 VPSZBNWKTKVAHI-UHFFFAOYSA-N 438.483 5.870 30 20 IKED COc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(OC)c1OC 611818203 OBQCASWHFOTDMF-INIZCTEOSA-N 431.492 5.134 30 20 IKED C[C@@]1(C#N)CCCN(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)C1 612298712 HMWKJTGDQSRFLJ-NRFANRHFSA-N 430.430 5.115 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)Nc3cccc(-c4cccs4)c3)cn2)c1 615080196 MRIBIAROQBNIMW-UHFFFAOYSA-N 440.484 5.051 30 20 IKED C=CCn1c(SCC(=O)N(C)c2cccc(C)c2C)nnc1-c1ccc(Cl)cc1 615084995 XDEILZLZKUNMES-UHFFFAOYSA-N 426.973 5.156 30 20 IKED O=C(c1ccc(CCC(F)(F)F)cc1)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 622585133 SCSFSLVEGCAJPF-LJQANCHMSA-N 433.367 5.911 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)c1C(F)F 679871183 IPQUAERQLKZQFT-UHFFFAOYSA-N 441.347 5.567 30 20 IKED O=C(CCCCC(=O)c1ccc(F)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 681666891 DPBUAPBGNPZFHC-FOLVSLTJSA-N 441.387 5.595 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccccc1SCC(F)(F)F 682115357 BBTVUUJTWADALL-UHFFFAOYSA-N 448.919 5.209 30 20 IKED CS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ccc(-c3ccc(C(F)(F)F)cc3)o2)cc1 726427156 FSZDGSVFRGWGGB-ZRDIBKRKSA-N 435.423 5.233 30 20 IKED C[C@H](C#N)Oc1ccc(/C=C2/CSC/C(=C/c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1 727743742 HEJXZUVVQYKXMT-PCRGZUGASA-N 430.529 5.051 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)OCc2noc(Cc3ccccc3)n2)cc1 731688421 KJLUTULWQYJKCN-UHFFFAOYSA-N 441.512 5.181 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 733629781 UKAGRMYFDFWXID-UHFFFAOYSA-N 446.463 5.572 30 20 IKED N#CCCN(C(=O)CCC(=O)O[C@@H](c1ccc(Cl)cc1)c1cccnc1)c1ccccc1 733698078 RGRAGUWOXKSWGU-VWLOTQADSA-N 447.922 5.095 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(OCc3cccc(F)c3)cc2C)c1 733844175 HFFBNNYCTPAZRG-JOCHJYFZSA-N 447.510 5.716 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)cc1Cl 739153827 FITJIUMNUXQNSB-MLGOLLRUSA-N 438.833 5.209 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cc(Cl)ccc2[N+](=O)[O-])c1 739414287 XCCSCKMXSXOKSQ-UHFFFAOYSA-N 445.932 5.021 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc3c4ccccc4n(C)c3s2)c1C 739669321 UPRGXBSVSNBHHG-UHFFFAOYSA-N 425.517 5.320 30 20 IKED N#CCCCOc1cccc(/C=C(\Cl)c2ncc(-c3ccccc3Br)o2)c1 741844948 WSCLTWNNPUPVMA-UYRXBGFRSA-N 443.728 6.524 30 20 IKED N#C[C@H](C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1nc(-c2ccc(Cl)cc2)cs1 744936791 XCOYSKRIZMGRTE-QGZVFWFLSA-N 436.880 5.203 30 20 IKED O=C(/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cccc(N2CCOC2=O)c1 745625888 FZLHMPUWURCUQG-YVMONPNESA-N 438.823 5.361 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ncc(-c3ccc(OC)cc3)o2)cc1 746416380 LNFRCINFDIHAPG-VGOFRKELSA-N 445.519 5.144 30 20 IKED C=CCc1cc(/C=C(/Cl)c2nc(O)c3ccc(C(F)(F)F)cc3n2)cc(OC)c1O 747063577 NDFOWRQTIVRNIQ-OVCLIPMQSA-N 436.817 5.534 30 20 IKED O=C(/C=C/c1ccc(-c2cccc(Br)c2)o1)c1ccc(N2CCOC2=O)cc1 748584774 VNVPPVQGTMBCNG-CSKARUKUSA-N 438.277 5.562 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H](C)c1ccc2ccccc2c1 753522354 YRACJRZGFNNAGP-ZWKOTPCHSA-N 432.545 5.519 30 20 IKED COCCc1nc2cc(NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)ccc2o1 753540184 KBGXLRGVFQPLRZ-NRFANRHFSA-N 426.476 5.316 30 20 IKED CC(C)n1ncc(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)c1-c1ccccc1 753616161 MLKMGESBBIBBAW-UHFFFAOYSA-N 440.503 5.039 30 20 IKED C[C@H]1CCN(CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)c2cc(Cl)ccc2S1 754666259 MPWRWYIPZHBGGN-WMLDXEAASA-N 434.952 5.268 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cc(Cl)ccc2O)cs1 757467717 IKVQNIQYJQDNJZ-UITAMQMPSA-N 433.316 5.736 30 20 IKED C=CCn1c(-c2cccc(OC)c2)nn(CN(C)[C@H]2CCCc3nc(C)sc32)c1=S 764990651 LSKMFWMPSCESAN-IBGZPJMESA-N 441.626 5.008 30 20 IKED CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCCCCC(C)(C)C#N)c1 768361475 LSIQLRGSTROOPY-UHFFFAOYSA-N 448.972 5.042 30 20 IKED N#C[C@H](C(=O)[C@H]1CCCN1Cc1ccc(F)cc1)c1nc(-c2c(F)cccc2F)cs1 768791225 YECJYBLGQIBTAX-OXQOHEQNSA-N 441.478 5.068 30 20 IKED Cc1nc(CSc2ccccc2C(=O)O[C@H](C#N)Cc2ccc(F)cc2F)cs1 774308505 AHLSWCGQMYQTPK-KRWDZBQOSA-N 430.501 5.314 30 20 IKED C[C@@H](NC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1ccc[nH]1 775985431 ZRCQDDWYFGHFOW-OQPBUACISA-N 447.301 5.716 30 20 IKED COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccccc1 777172638 UERYTYXJALSZTI-DEOSSOPVSA-N 440.499 5.096 30 20 IKED C[C@H](NC(=O)N[C@@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21)c1cccc(C#N)c1 777569392 FUSCSKAQVMSDNW-KSFYIVLOSA-N 434.540 5.343 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1ccc2ccccc2n1 779195094 SKXYJOPAIJFCJP-ZJSXRUAMSA-N 433.511 5.117 30 20 IKED N#C[C@H](C(=O)NC1CCCCC1)C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 780306045 SCAPBJMBIVFHKO-FQEVSTJZSA-N 431.923 5.327 30 20 IKED N#C[C@H](COC(=O)c1csc(-c2cccs2)n1)Cc1ccccc1Br 786636856 FXJIZSCGUNKVQS-GFCCVEGCSA-N 433.352 5.173 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)/C=C\c1ccc(Cl)s1)c1ccc(Cl)cc1Cl 787048651 GUWKULXMIWTWQP-LUCYGFJUSA-N 427.740 5.308 30 20 IKED C[C@@H](NC(=O)[C@@H](C#N)C(=O)c1cccc(-c2ccoc2)c1)c1ccc(Cl)cc1Cl 787055026 YTFCEWQMQNWCRM-YJYMSZOUSA-N 427.287 5.453 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)CC2 789457131 SSQQTDNCWQBCCM-PMACEKPBSA-N 427.589 5.544 30 20 IKED N#CCOc1ccc(CNC(=O)N2CCCCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 792067127 FZFXMRBNFYEESB-NRFANRHFSA-N 431.458 5.435 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc23)cc1 797540578 LZJKSOPVPDUJDO-GMQQYTKMSA-N 445.522 5.106 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H](F)c1ccc(C(F)(F)F)cc1 801661435 PTXMAYYCIZLRLN-NQBHXWOUSA-N 439.293 5.742 30 20 IKED N#C[C@H](C(=O)C1(c2cccc(Br)c2)CCCC1)c1cc(C(F)(F)F)ccn1 813211011 ZGGTZQAOPFBEBW-INIZCTEOSA-N 437.259 5.551 30 20 IKED C=CCn1c(COc2ccccc2F)nn(CN(C)[C@@H]2CCCc3ccccc32)c1=S 818259762 KLRKCDOMLBSIOK-OAQYLSRUSA-N 438.572 5.285 30 20 IKED N#C[C@H](C(=O)COc1ccc(F)cc1Cl)c1nc2cc(C(F)(F)F)ccc2s1 915103689 BSPCFXDZCTZNBQ-LLVKDONJSA-N 428.794 5.363 30 20 IKED COc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC(F)F 915352423 IHHBYYHRIOHPTM-FQEVSTJZSA-N 437.446 5.274 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc(-c2ccccc2)n1 916886056 CWXMTXQZXRVFHS-OAHLLOKOSA-N 429.473 5.086 30 20 IKED N#C[C@@H](C(=O)CCCc1ncc(-c2ccccc2)o1)C(=O)Nc1ccc(Cl)cc1Cl 916931422 KQEPUPOPLWLVGW-INIZCTEOSA-N 442.302 5.319 30 20 IKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(-c2ccccc2Cl)o1 916944696 LCPWZBDOGVCKJV-HNNXBMFYSA-N 433.678 5.868 30 20 IKED COC(=O)c1cn(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2ccccc12 916976142 LJWBOWWXFVREFE-QGZVFWFLSA-N 449.919 5.081 30 20 IKED Cc1ccc(N2C(=O)/C(=C/c3cccc(OCc4cccc(C#N)c4)c3)NC2=S)cc1C 917358063 YDCROPPBCXGQMV-OYKKKHCWSA-N 439.540 5.016 30 20 IKED Cn1ccnc1COc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 917517614 JOKDKDWVCBDHGC-ZRDIBKRKSA-N 429.432 5.063 30 20 IKED CC(=O)Nc1cccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)c1 917561383 FBWXCYQKZYPCBN-FLIBITNWSA-N 439.924 5.336 30 20 IKED COc1ccc(OCc2nc(/C=C/C(=O)c3cc(Cl)c(OC)cc3OC)cs2)cc1 920064871 MYSWIIAXXXWMLO-RUDMXATFSA-N 445.924 5.297 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3C)n2)cc1 920139873 ZYCSONGOAOUBBN-KSSFIOAISA-N 426.925 5.424 30 20 IKED N#Cc1ccc(CSCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920806339 JYVTTYWMARSESA-OAHLLOKOSA-N 425.485 5.070 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc(O)c(Cl)c1)C(=O)c1ccccc1 921265430 FRVJKTPSRRZMNC-QNGOZBTKSA-N 433.935 6.075 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CS[C@@H]3CCCCO3)CCC2)cc1 1786103546 MQVBOCMKZCYVIR-HSZRJFAPSA-N 442.625 5.149 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)CCC2)cc1 1791580451 CSVUMEWIWIPROI-RTWAWAEBSA-N 436.502 5.006 30 20 IKED CC(C)=CCCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792124803 JEWAARGXPVELSY-HXUWFJFHSA-N 429.564 5.808 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(F)cc(F)c4F)cc3)CCC2)cc1 1792127638 LGCMMLIZVNBEOC-UHFFFAOYSA-N 449.432 5.037 30 20 IKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)cc3C(F)(F)F)cc2)CCC1 1792178484 GJLQSLNCMSQWHE-UHFFFAOYSA-N 449.860 5.410 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(C)c(Cl)c3)C2)CC1 1805079985 DGPOFSVYYRBADU-OAQYLSRUSA-N 429.004 5.262 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2Cl)[C@@H]1c1cccnc1 1810501515 AZIUJJURBSMWKI-DENIHFKCSA-N 439.987 5.047 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cccs2)[nH]n1 1814440631 WSQLKNMWAQJPPQ-LJQANCHMSA-N 428.602 5.089 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccnc(C(C)(C)C)c2)n[nH]1 1816106512 CNGQQCCMSUCWGM-FPOVZHCZSA-N 449.599 5.177 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCc3ccccc32)[nH]n1 1819557062 VGYVRVADRPRNMX-UNMCSNQZSA-N 434.584 5.124 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@H](C)c2ccccc2)n[nH]1 1822039318 UEDGZHNGMSQRQX-CVDCTZTESA-N 434.584 5.364 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)c2ccc(O)cc2)CC1 1829068871 VBXBMDJWTCKOGV-RDPSFJRHSA-N 440.628 5.108 30 20 IKED Cc1cc(Cl)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)c1 1829957199 CVWVTSQLUKISPE-XMMPIXPASA-N 449.982 5.067 30 20 IKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830494235 RMJKXEDLVKQHKV-RUZDIDTESA-N 445.563 5.016 30 20 IKED COc1ccc(C(=O)/C(=C(/S)Nc2c(C)cc(C)cc2Cl)[n+]2ccccc2)cc1 15248401 HFQIPXQTDMUKLR-UHFFFAOYSA-O 425.961 5.304 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nnc1-c1ccccc1OC 17709156 BAQHFRSALGXBCN-ZDUSSCGKSA-N 425.539 5.105 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(C)s2)=C(\S)Nc2ccc(SC(F)F)cc2)c1 22690292 RHFYJOGHPYKZHS-UHFFFAOYSA-O 449.593 6.018 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(Cl)cc2Cl)ccc1O[C@@H](C)C(=O)N(C)C 33469931 LRKMWQUIXUIRLR-APFBBLRHSA-N 436.335 5.144 30 20 IKED CCn1c(SCCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)nc2ccccc21 58505571 HUXIOKFPUDGMQH-UHFFFAOYSA-N 447.564 5.108 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H](c3ccccc3)N3CCSCC3)cc2)cc1 58874675 RUEAZUCEBLOVMF-XMMPIXPASA-N 429.545 5.079 30 20 IKED C[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F)c1ccc(C#N)cc1 61189618 JOIXJCIZXHHDGU-CYBMUJFWSA-N 442.397 5.305 30 20 IKED CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)CC1 61953004 JFCBHFZKURQOAG-UHFFFAOYSA-N 448.567 5.104 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(COCc2ccco2)c1 71934980 WVUUUSRTFQIJJJ-UHFFFAOYSA-N 440.524 6.272 30 20 IKED N#CCCCOc1cccc(NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)c1 108294936 UDSYBZOSLMCSRS-UHFFFAOYSA-N 447.495 5.070 30 20 IKED Cc1c(C#N)c(NC(=O)CS[C@@H](C)c2ccc(Cl)cc2)n(Cc2ccco2)c1C 109369298 HOILIAHJKVQNTI-INIZCTEOSA-N 427.957 5.704 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1cc(C#N)ccc1OC(C)C 195629375 KOUQEUZCWAZDBT-UHFFFAOYSA-N 425.485 5.081 30 20 IKED O=C1/C(=C\c2ccc(F)cc2)CC2(C/C1=C\c1ccc(F)cc1)C(=O)Nc1ccccc12 206411165 LRJRMZRQLYDBFT-LRVMPXQBSA-N 427.450 5.685 30 20 IKED COc1cc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1SC 207746501 HQDGAHIOOJEJRS-BENRWUELSA-N 437.948 6.219 30 20 IKED COc1cc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc(OC)c1OC 426003673 LTBHDBQWKLSQLH-UHFFFAOYSA-N 437.427 5.159 30 20 IKED COCCCOc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 426696877 UQXDPGNQPMHMEX-UHFFFAOYSA-N 430.504 5.113 30 20 IKED Cc1ccc2nc(COc3ccccc3C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)cn2c1 430578187 AHTCALZEYOCNBS-LJQANCHMSA-N 444.560 5.466 30 20 IKED CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 432244222 AVKRMCWJEANCBK-FQEVSTJZSA-N 433.487 5.465 30 20 IKED N#Cc1ccccc1-c1ccc(CNc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)cc1 435889053 QUGFSBXADGEPHJ-UHFFFAOYSA-N 435.449 5.679 30 20 IKED COc1c(C)ccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1C 437535781 HCCSCFZBOKUALQ-UHFFFAOYSA-N 449.894 5.207 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1c(F)cccc1F)C1CCCC1 438071774 HSOTVKQWMJPULU-MRXNPFEDSA-N 429.536 6.193 30 20 IKED Cc1cccc(Oc2cc(CNC(=O)Nc3ccccc3S[C@H](C)CC#N)ccn2)c1C 438080448 XFFMECMURXADFR-GOSISDBHSA-N 446.576 6.207 30 20 IKED Cc1csc(Sc2ccc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c(C)c2)n1 438094447 FCPNSIZNIDWONX-IFMALSPDSA-N 448.617 6.215 30 20 IKED COc1cc(Oc2ccccc2)ccc1NC(=O)CCCC(=O)Nc1ccccc1C#N 438205819 WRQIOWPGNMFCTH-UHFFFAOYSA-N 429.476 5.107 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1OCc1csc(Br)c1 442650912 LZKYLDOYIVXPKC-INIZCTEOSA-N 427.323 5.283 30 20 IKED N#Cc1ccc(-c2nnc(COc3c(Cl)ccc(Cl)c3Br)o2)cc1 443398830 JVGOELKDUKORGN-UHFFFAOYSA-N 425.069 5.257 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(Br)s2)cc1 443579312 IFTDHJRGGSXQGB-CQSZACIVSA-N 448.386 5.208 30 20 IKED COc1cc(C)c(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1C 444606240 FELKBVWBZYEUGK-UHFFFAOYSA-N 445.544 5.167 30 20 IKED COc1cccc(Cl)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 460155361 NFGKPGAWYAJCSV-UHFFFAOYSA-N 427.287 5.705 30 20 IKED CCN(CC)C(=O)c1ccc(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)cc1 460158561 DWZFKNWUHYFWBQ-UHFFFAOYSA-N 445.950 5.541 30 20 IKED O=C(c1cccc(-n2nccc2C(F)(F)F)c1)N(Cc1ccc(F)cc1)CC(F)(F)F 460460262 MAWJVCSXXPCJIK-UHFFFAOYSA-N 445.338 5.235 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1Cc2ccc(O)cc2C2(CC2)C1 463746948 AVRNJCLXAZAMJK-UHFFFAOYSA-N 439.515 5.231 30 20 IKED CSc1ccc(F)cc1CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 466785965 COMDLPZUEKHORM-UHFFFAOYSA-N 435.524 5.514 30 20 IKED CC(C)(C)OC(=O)CCCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 467691132 MFDOCJXFBSKSQE-UHFFFAOYSA-N 443.931 5.034 30 20 IKED CN(CCC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 467917931 JAMVABVVFSFMTK-LJQANCHMSA-N 427.932 5.191 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1CCC(NC(=O)C(C)(C)C)CC1 469327030 HQOSURZVRBJHEV-UHFFFAOYSA-N 447.579 5.105 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ncoc3-c3ccc(F)cc3)c2)cc1 471731305 ISJOVNDDZLGCJR-UHFFFAOYSA-N 427.435 5.378 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 474278391 WTLMTRGZOPTQGV-PXAZEXFGSA-N 430.348 5.154 30 20 IKED CCN(C(=O)Cc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1)c1ccccc1 474951590 ZHVSJSIRTRVBEH-UHFFFAOYSA-N 425.532 5.336 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 475586108 WYCPXSYMIVNOQO-IBGZPJMESA-N 432.973 5.184 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 476123335 USPHBWJIWCJGGV-QHCPKHFHSA-N 440.587 6.183 30 20 IKED Cc1c(COC(C)(C)C)cccc1NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 476394139 SICRNCJTZVSPPX-UHFFFAOYSA-N 426.460 5.001 30 20 IKED N#CCCCOc1cccc(NC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)c1 476713619 HUEQCKGAFNYVOI-UHFFFAOYSA-N 439.874 5.064 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 478805750 MPBDUKCSIFTQAP-MRXNPFEDSA-N 445.510 6.421 30 20 IKED Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 480958257 KBSCUPKKJYLVBV-OAHLLOKOSA-N 437.496 6.010 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2ccco2)cc1Cl 487062830 QYTQFAGDLMAZBQ-IFMALSPDSA-N 447.922 5.222 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1SCc1nc(-c2cc(Br)cs2)no1 488789838 AAKCOXXJEUFZTQ-UHFFFAOYSA-N 447.261 5.138 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Br)cc3OC)n2)cc1 501312521 PUEBIHFIGRMUCG-INIZCTEOSA-N 443.322 5.080 30 20 IKED CC(C)Cn1ncc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c1C(F)F 505341332 ARHQSXTUFVLKHF-NRFANRHFSA-N 438.478 5.050 30 20 IKED C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 505914362 YLEIEVVJKZTZPB-GGAORHGYSA-N 431.580 5.272 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@@H](C#N)c1ccccc1F 505923747 XWCFTZAQDXDFJI-ACJLOTCBSA-N 429.904 5.137 30 20 IKED CC(=O)Nc1cc(NC(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)ccc1F 506305733 HLSDOCNTDBSEEG-HNNXBMFYSA-N 437.315 5.228 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N[C@H](C#N)C1CCCCC1 506525716 KOQWOGISQJQDFM-QGZVFWFLSA-N 433.936 5.304 30 20 IKED N#CCCCOc1cccc(NC(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1 506917535 MIYWDYVUZYVYNC-KRWDZBQOSA-N 445.363 5.813 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@H](c3ccccc3)O[C@H](C)C2)cc1 508277021 YHQDDFXELMFGIW-IQGLISFBSA-N 443.503 5.353 30 20 IKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCc3nc(-c4ccsc4)no3)c2C#N)C1 512165368 QKJGWSUDUTTZOC-AWEZNQCLSA-N 440.594 5.454 30 20 IKED N#C[C@H](C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccc(C(F)(F)F)cn1 513144281 SQKOYLUBNPTFAJ-ZDUSSCGKSA-N 449.841 5.558 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 514501651 LFBBCPPZYHCESE-UHFFFAOYSA-N 441.415 5.471 30 20 IKED CC(C)c1ccccc1-n1c(Sc2ccc(C#N)cc2[N+](=O)[O-])nnc1-c1cccnc1 514730311 CXZXAKOLASOVLO-UHFFFAOYSA-N 442.504 5.384 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)n1-c1nccs1 516714285 ZSCJXIJFUQEVQI-GOSISDBHSA-N 429.530 5.036 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 517600343 RLBILCLPTITBAO-BEFAXECRSA-N 448.464 5.088 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(F)cc3-c3ccc(F)cc3)cc2)nc1 517645822 KSTLDUHHJJGJRC-UHFFFAOYSA-N 427.410 5.943 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2SC[C@H](C)C#N)o1 518151684 VEOFHMXTCIYANC-QGZVFWFLSA-N 442.544 5.945 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 518259138 HAYXSIAWOJNGBR-QVKFZJNVSA-N 441.984 5.330 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3-c3ccccc3C#N)n2)cc1 518516712 TZECKDQVSMWLOL-HSZRJFAPSA-N 435.508 5.847 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1c(-n2cccc2)sc2c1CCSC2 518668476 FNJQQAJEQLDWQB-HNNXBMFYSA-N 439.631 5.832 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccccc3CN3CCCC3)cc2)cc1 520601024 ZWADUUPHJQKSLN-UHFFFAOYSA-N 426.520 5.268 30 20 IKED COc1ccc(OC)c(CN(C(=O)Nc2ccccc2SC[C@H](C)C#N)C2CC2)c1 520854456 RMCNIQJMJWRHMR-MRXNPFEDSA-N 425.554 5.152 30 20 IKED CN(CCCCNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccccc1 522430694 FFAHWFYSUWQGTF-UHFFFAOYSA-N 444.554 5.326 30 20 IKED COc1ccc(Br)cc1[C@H]1CCCN1C(=O)Nc1ccc(C#N)c(Cl)c1 523696308 MLPYYWWWSQKOFY-QGZVFWFLSA-N 434.721 5.352 30 20 IKED N#CCCCOc1cccnc1NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 524235171 PENPNDPVUQBZPH-UHFFFAOYSA-N 442.494 5.623 30 20 IKED COc1ccc([C@H](C)N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 524437677 XCDBVAIRZGPPGG-IBGZPJMESA-N 429.520 5.679 30 20 IKED CN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1cccc(OC(F)(F)F)c1 524487419 IKPCBMHPNFTWLM-UHFFFAOYSA-N 426.394 5.312 30 20 IKED N#Cc1ccccc1OCc1ccc(-c2nc(-c3cccnc3Oc3ccccc3)no2)o1 524637235 RXMNVPYFESAHPO-UHFFFAOYSA-N 436.427 5.635 30 20 IKED CC(C)Cn1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1C(F)F 535403931 LSOOPVAWHKLMRC-AWEZNQCLSA-N 434.899 5.744 30 20 IKED COc1ccc(CN(Cc2nnc(-c3cccc(C#N)c3)o2)[C@H]2CCCC[C@@H]2C)cc1OC 537854158 ALKONCOGTWABNW-AVRDEDQJSA-N 446.551 5.206 30 20 IKED Cc1cc(NCc2nnc(-c3ccc(C#N)cc3)o2)nn1-c1ccc(Cl)c(Cl)c1 540735790 FWJJPMOMAOUDFB-UHFFFAOYSA-N 425.279 5.021 30 20 IKED CN(C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 542635636 LGJCRGSMGQRNPQ-DHLKQENFSA-N 445.494 5.874 30 20 IKED C[C@@H]1C[C@H](c2cccnc2)N(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 543565252 YEWGAWIFVUKXDA-CUHUQNRHSA-N 430.939 6.005 30 20 IKED C[C@H](NC(=O)c1cccc(NC(=O)c2cccnc2)c1)c1ccc(-c2cccc(C#N)c2)cc1 543915855 VDIFQCMRZMXXSD-IBGZPJMESA-N 446.510 5.364 30 20 IKED C[C@H](NC(=O)C(=O)Nc1cccnc1-c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 543919784 PIFNFBLXJMALTD-IBGZPJMESA-N 446.510 5.103 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(OCC4CC4)c(Cl)c3)n2)cc1 544152614 OOBFMAIAXNBEES-KRWDZBQOSA-N 439.924 5.146 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 548828182 WCJRCQRZTYFAGL-PMACEKPBSA-N 442.485 5.003 30 20 IKED C=C(C)Cn1c(SCc2nc(-c3ccc(Cl)cc3F)no2)nnc1-c1ccco1 551104596 KFFXFCGEOUPTKF-UHFFFAOYSA-N 431.880 5.249 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc2n[nH]cc2c1 554400825 FIEZZFOCLRQBAN-BTYIYWSLSA-N 429.911 5.754 30 20 IKED COCCC[C@@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(Cl)cc1 557059904 UKKCOIXVLDJNCU-NRFANRHFSA-N 449.938 5.339 30 20 IKED COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 591207026 VKIPVUOTXPLWJA-UHFFFAOYSA-N 444.487 5.359 30 20 IKED Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c12 592973196 ALVPCFGBZLYCRF-MRXNPFEDSA-N 428.448 5.437 30 20 IKED C=CC1CCN(C(=O)Nc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)CC1 601143222 APWGIJSEHANRJY-UHFFFAOYSA-N 431.458 5.696 30 20 IKED C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C2CC2)o1 603648257 DUFJMVPEZHBFQK-VFNWGFHPSA-N 432.549 5.518 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603758942 PPGBYIQLFSGOON-QHCPKHFHSA-N 445.954 5.294 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCc3sccc3C2)nc1 604499691 IUQXXDWEFJBJHY-UHFFFAOYSA-N 445.592 5.268 30 20 IKED CCCN(C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@@H](CC)c1ccccc1 604507388 HNPMLZLLSBWRKF-QHCPKHFHSA-N 442.519 5.074 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1nc2ccc(NC(C)=O)cc2s1 606841706 AOUMILIXNQOKNP-UHFFFAOYSA-N 435.427 5.091 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(NC(=O)c4cccs4)c3)o2)cc1 609055534 LBNCXEZLLKGIFC-UHFFFAOYSA-N 443.484 5.296 30 20 IKED CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609056781 GFTQOBXWEOXGBW-TZIWHRDSSA-N 441.984 5.026 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3occc3CSc3ccccc3)cc2)c1 609065125 YQCPUBNOYMNRFD-UHFFFAOYSA-N 440.524 6.275 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CCc1ncc(-c2ccccc2)o1 609151600 GXDPQXLUHOVJDL-UHFFFAOYSA-N 441.918 6.033 30 20 IKED COc1ccc(S[C@@H](C)C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 609173541 SPUOBPILABAPMW-UUOWRZLLSA-N 432.545 5.136 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(Br)cc1 609370900 HSTKUSAKXCGIEL-CQSZACIVSA-N 435.412 5.573 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3ccccc3SCCC#N)cc(-c3ccccc3)nc21 609375897 IXKSAFJLRSJIBU-UHFFFAOYSA-N 441.560 5.937 30 20 IKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)NCc1ccccc1Cl 609387070 JFAYKMJOZWWYFR-CYBMUJFWSA-N 441.906 5.481 30 20 IKED C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 609402853 DCODWZFUOQAZCE-SJORKVTESA-N 444.551 5.127 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N1CCC(c2cccc3ccccc23)CC1 609403878 HYZIYCNQAHZTAT-UHFFFAOYSA-N 443.572 5.190 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1nc(-c2ccccc2)oc1-c1ccccc1 609428045 VRIPBRCYKMJFAV-UHFFFAOYSA-N 437.499 5.169 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(Oc4ccc(F)cc4)CC3)cc2)c1 609682560 NLRRZESYKWOBAX-UHFFFAOYSA-N 431.467 5.565 30 20 IKED CC(C)n1ncc2cc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)ccc21 609774427 KQAMKAIWIVYDED-UHFFFAOYSA-N 441.510 5.862 30 20 IKED N#CCCCOc1cccc(NC(=O)C(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)c1 609777963 IKXNTAWNCIYFHX-QFIPXVFZSA-N 439.943 5.105 30 20 IKED COc1cccc(NC2CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CC2)c1 609921669 BRWZMTVCJPRLDN-UHFFFAOYSA-N 445.494 5.215 30 20 IKED CC(C)C[C@@H](NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1cccs1 609942176 JDWAZTCAVQKNDQ-OAQYLSRUSA-N 433.533 5.254 30 20 IKED C[C@H]1CN(Cc2cccc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)c2)C[C@H](C)O1 609975500 NBJFPIVFQLOOFS-PMACEKPBSA-N 441.531 5.212 30 20 IKED Cc1cc(C)c(C[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)C(F)(F)F)c(C)c1 611118357 VQGHFLUOUMWTSU-KFWWJZLASA-N 449.357 5.532 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(Cc4ccccc4)nc3C)n2)cc1 613318837 GYSONUQACWZBQJ-IBGZPJMESA-N 429.570 5.964 30 20 IKED CCCCOc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC 613405022 ZOQRXOWFPJTJPL-OAHLLOKOSA-N 448.466 5.993 30 20 IKED N#CCn1c(C(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)cc2ccccc21 613682437 NMOFARCLFQMTMJ-HXUWFJFHSA-N 429.467 5.114 30 20 IKED N#C[C@H](C(=O)c1cn(-c2ccc(Cl)cc2)nn1)c1nc2cc(C(F)(F)F)ccc2s1 642282068 IGWLEUSRIVUZPR-CYBMUJFWSA-N 447.829 5.039 30 20 IKED CCN(C[C@H](C)C#N)Cn1nc(-c2ccccc2)n(-c2ccc(OC)c(Cl)c2)c1=S 726963372 COMLPCIIFGHQEV-MRXNPFEDSA-N 441.988 5.171 30 20 IKED COc1ccccc1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728062604 QGCMWJZRBGJDQV-INIZCTEOSA-N 435.911 5.238 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCOc1ccccc1F 728118986 FKOPOQHERNKXRV-UHFFFAOYSA-N 433.483 5.175 30 20 IKED N#C[C@H](C(=O)c1sc2cc(Br)ccc2c1Cl)c1nc2ccccc2s1 729889916 GAYAYKBEOPHVMX-LLVKDONJSA-N 447.766 6.417 30 20 IKED Cn1c([C@@H](C#N)C(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)nc2ccccc21 730072443 WOYAUCBVSHDYJC-SBUREZEXSA-N 433.483 5.561 30 20 IKED Cn1c([C@H](C#N)C(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)nc2ccccc21 730394592 ICHOEWBAUZLTML-UZUQRXQVSA-N 449.938 6.076 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C\C(=O)c1ccc(N2CCCC2=O)cc1 730578104 KIVHURQXXLWOTP-SEYXRHQNSA-N 437.902 5.055 30 20 IKED C#CCN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCOc2ccc(Br)cc21 733112388 HZSVBGUHFMPREM-JKIFEVAISA-N 444.291 5.103 30 20 IKED N#Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 733868618 NOZSOURCTGOANZ-UHFFFAOYSA-N 443.859 5.155 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccccc2N2CCOC2=O)c1 735007971 SKOOSHPUMNMSGQ-UHFFFAOYSA-N 433.851 5.213 30 20 IKED CC(C)OC(=O)NCc1ccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 735173322 XUIIEGMUWVIHMQ-UHFFFAOYSA-N 444.491 5.629 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F 735574094 RQMIBETUWGNICV-UHFFFAOYSA-N 444.463 5.301 30 20 IKED N#CCOc1ccc(CNC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)cc1 740458246 JIGLDEBWUCMPKP-UHFFFAOYSA-N 441.409 5.722 30 20 IKED N#C[C@H](C(=O)CCCc1nc(C2CC2)no1)c1nc(-c2ccc(Cl)cc2Cl)cs1 740536437 SQNWZBAHZGVZLU-CQSZACIVSA-N 447.347 5.576 30 20 IKED C#CCOc1ccc(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2C(F)(F)F)cc1 741559683 YAZILAGBLHNIFK-UHFFFAOYSA-N 434.414 5.317 30 20 IKED N#Cc1cc(NC(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)ccc1N1CCC(O)CC1 743144418 ZFRBOHLWOJOXBX-UHFFFAOYSA-N 448.473 5.109 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2)c1nc(-c2ccc(Cl)cc2)cs1 744034774 LJMOGKJPYVMNKC-OKZBNKHCSA-N 436.920 5.215 30 20 IKED CN(C)C(=O)Sc1ccccc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 748537374 NAHPLKOEJQELCD-UHFFFAOYSA-N 433.558 5.735 30 20 IKED O=C(/C=C\c1ccccc1OCc1ccccn1)c1ccc(S(=O)(=O)C2CCCC2)cc1 749006268 SRQDAJYUZKSPMZ-VKAVYKQESA-N 447.556 5.273 30 20 IKED O=C(CON=C(c1ccccc1)C(F)(F)F)Nc1c(Cl)cc(Cl)cc1Cl 751956214 PMJVYMNPWOSTPC-UHFFFAOYSA-N 425.621 5.569 30 20 IKED Cc1nc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c(-c2ccccc2)s1 755760202 CQXSLPBTBICBRR-UHFFFAOYSA-N 433.320 5.446 30 20 IKED N#Cc1cc(NC(=O)[C@@H](Sc2ccccc2F)c2ccccc2)c(Cl)c([N+](=O)[O-])c1 764311170 NZCLHKBRSDNFIE-FQEVSTJZSA-N 441.871 5.731 30 20 IKED CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 766041873 OQXFZLRIKYUQIW-AOMKIAJQSA-N 434.606 5.142 30 20 IKED Cc1c(-c2ccccc2)oc2c(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cccc2c1=O 767972098 NXRAIQOOGFKJNI-UHFFFAOYSA-N 446.506 5.570 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C[C@@H](C)c1ccc(Br)cc1 769947409 ZQDZBDJAABWRAV-FOIQADDNSA-N 441.369 5.415 30 20 IKED CCOc1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)cc1Br 778188620 VEXDUCCNJZPFGA-UHFFFAOYSA-N 425.330 5.237 30 20 IKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2O[C@H](C)C#N)cc1 780148009 MKOYRJGHHMFSJF-GOSISDBHSA-N 438.487 5.091 30 20 IKED O=C(CN[C@@H](c1c(F)cccc1F)C(F)(F)F)Nc1ccccc1SC(F)F 780421915 QDPIETOJLDPPQS-HNNXBMFYSA-N 426.357 5.111 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1ccc(-c2ccc(Br)s2)s1 782342892 YLVKASIZZPZLMD-UHFFFAOYSA-N 437.315 5.533 30 20 IKED Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 782390899 CAQBJRCZRKTLAE-GFCCVEGCSA-N 441.340 5.100 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(OCCCC)cc1)[n+]1ccc2c(c1)CCCC2 789394543 RSKDFWOAEXCMCQ-UHFFFAOYSA-O 437.629 5.409 30 20 IKED Cc1ccc([C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2ccccn2)cc1 791752062 SJYARUIJPAIRGP-XNMGPUDCSA-N 432.527 5.957 30 20 IKED N#C[C@@H](C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1nccc2ccccc12 792092534 CTQUTZGUUUGVAI-FQEVSTJZSA-N 433.920 5.343 30 20 IKED CC(=O)N(c1nc(/C=C2\CC(C)(C)c3ccc(Br)cc3C2=O)cs1)C1CC1 794968359 MIUXXKNAOGIBNN-MDWZMJQESA-N 445.382 5.369 30 20 IKED N#CC[C@H](CC(=O)OCc1ncc(-c2ccc(Br)cc2)o1)c1ccccc1 795981455 MOSXRRVVSXKMTH-QGZVFWFLSA-N 425.282 5.235 30 20 IKED COc1ccc(CNCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cc1OCCCC#N 800275384 ASSQTIWWJDMUDZ-IBGZPJMESA-N 442.003 5.557 30 20 IKED O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)CC1 801674653 QGLSACBPYMBQOL-GOSISDBHSA-N 447.350 5.255 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 802560737 JCZVNLWUZBLUPZ-RBBKRZOGSA-N 437.975 5.174 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)cc1 806200231 ARWJFBQMDUXGRU-TWJOJJKGSA-N 441.531 5.668 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 806265244 MCLWCFRBVRYISN-NTKDMRAZSA-N 445.588 6.391 30 20 IKED C#C[C@H](NC(=O)Nc1cccc(CSC2CCOCC2)c1)c1ccc(Cl)cc1F 806273376 WGDPNJVEJKKPAD-NRFANRHFSA-N 432.948 5.387 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(N2CCCCCCC2)c(F)c1 806403717 MVEAZZFNEANMIA-UHFFFAOYSA-N 429.536 5.292 30 20 IKED COc1cccc(/C=C(\CC(=O)OCc2cccnc2C#N)c2nc3ccccc3s2)c1 813309210 XFLIETRDPZRBPL-XDHOZWIPSA-N 441.512 5.246 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1(c2ccc(N(C)C)cc2)CC1 815340644 JQPLABPUMPVIPN-UHFFFAOYSA-N 425.532 5.182 30 20 IKED FC(F)(F)c1ccc(-c2noc(CON=Cc3ccc(Br)cc3)n2)cc1 844256384 VYEMYCGOSDDGFV-UHFFFAOYSA-N 426.192 5.069 30 20 IKED CN(Cc1ccc(C#N)cc1)Cn1nc(COc2ccc(Cl)cc2Cl)oc1=S 914783271 PIADSGUKTLADNQ-UHFFFAOYSA-N 435.336 5.053 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Oc4ccccn4)cc3)n2)cc1 915099866 DLIOEMUAZUMRSW-NRFANRHFSA-N 441.512 5.561 30 20 IKED Cc1nc(-c2ccc(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)s2)cs1 915352632 NCIZBEZKNROKEJ-OAQYLSRUSA-N 444.585 6.157 30 20 IKED N#C[C@H](C(=O)C1(c2ccc(Br)cc2)CCCC1)c1nc2ccccc2s1 916847878 SHXRUSSYDGBUNI-MRXNPFEDSA-N 425.351 5.747 30 20 IKED COc1cc(C#N)cc(Cl)c1OC(=O)[C@@H](C)Sc1ccc(Br)cc1 917602437 XUJZPQNRIOMYHW-SNVBAGLBSA-N 426.719 5.069 30 20 IKED O=C(/C=C\c1csc(COc2ccc(Cl)cc2)n1)c1ccc(N2CCCC2=O)cc1 918713848 WMSHHHOWESVLKQ-GHXNOFRVSA-N 438.936 5.398 30 20 IKED FC(F)(F)Oc1ccc(NC(=S)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 918722049 VMOMQFROKVVGTE-IUCAKERBSA-N 440.331 5.345 30 20 IKED CNC(=O)C[C@@H]1SC(=Nc2cccc(C(C)C)c2)N([C@@H](C)c2ccc(C)s2)C1=O 920168893 PCGSGCJNAIXSSL-KXBFYZLASA-N 429.611 5.009 30 20 IKED N#C[C@@H](C(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1nc2cc(Cl)ccc2s1 920875732 AVGGJDBYSZCTGB-INIZCTEOSA-N 441.940 5.555 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(N2CCOC2=O)cc1 921117752 BQJYJCLRQQPEGU-KRWDZBQOSA-N 442.475 5.190 30 20 IKED CSc1nc(O)c(C(=O)Nc2ccc(Sc3nc(C)cs3)c(Cl)c2)cc1C#N 1536678020 KMOQTBIGVHEOGR-UHFFFAOYSA-N 448.982 5.203 30 20 IKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)CCC4CCC4)CCC3)cc2)cc1 1785795151 XGTMOSDMBFBESZ-UHFFFAOYSA-N 429.564 5.205 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cnnc4ccccc34)CCC2)cc1 1786102978 GGBBUHYITJVYSX-UHFFFAOYSA-N 440.547 5.146 30 20 IKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(F)ccc4[nH]3)cc2)CCC1 1789231310 XKRFTWRZZCFTSB-NRFANRHFSA-N 439.556 5.009 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(F)c(F)cc4[nH]3)cc2)CCC1 1789231479 LXQPIJOZLGGGMT-OAHLLOKOSA-N 437.490 5.406 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc5cc(F)ccc5s4)cc3)CCC2)CC1 1789288753 WUHNEPQFMNLGRC-UHFFFAOYSA-N 433.508 5.092 30 20 IKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3Cl)cc2)CCC1 1790651697 RQPJGMCWMFEKCN-UHFFFAOYSA-N 449.860 5.410 30 20 IKED C=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2CSc2ccccc2)C1 1800665640 CXBQHOMQONRHAB-NUNAXRQHSA-N 446.616 5.197 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)Cc3ccc(SC)cc3)CC2)C1 1804866381 ZDWOBSGSEKRXMS-UHFFFAOYSA-N 442.669 5.175 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)cc(OC)c2)n[nH]1 1821018607 XWQNIWNEUAXLAD-NRFANRHFSA-N 438.572 5.025 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(C)cccc3[nH]2)CC1 1824142258 KFNKZJHHNMMPKR-AREMUKBSSA-N 447.623 5.478 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)CC1 1824142490 STIVHYWMAKOADP-AREMUKBSSA-N 447.623 5.478 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1ccccc1F 10146198 SBGREMYAPZORJQ-UHFFFAOYSA-N 436.434 5.020 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(C)c(C)c2)[n+]2ccccc2CC)cc1 10173815 LNGQPIKCKZCUCM-UHFFFAOYSA-O 433.597 5.603 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)CCC2)=C(/S)Nc1cccc(Cl)c1 10831271 CZTZQJUNJZMCGT-UHFFFAOYSA-O 436.000 5.730 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccccc1OC 16863544 JONZWUGOCPCDHT-HNNXBMFYSA-N 442.972 5.221 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2ccccc2)=C(/S)NCCc2ccccc2)cc1 22735093 BMBOEWGWLKZTAP-UHFFFAOYSA-O 431.625 5.649 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccc(Cl)cc3)o2)c1 23426438 PUWWQYWJWIGQPU-INIZCTEOSA-N 440.956 5.434 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1cc(C)[nH]c1C)[n+]1ccc2c(c1)CCCC2 23604479 WEKWYQBEWIMCRD-UHFFFAOYSA-O 432.613 5.411 30 20 IKED C=CCn1c(SCC(=O)N(C)Cc2ccccc2Cl)nnc1-c1ccc(Cl)cc1 58048544 YTTUJJBYZPMZHG-UHFFFAOYSA-N 447.391 5.189 30 20 IKED COc1ccc(CN[C@H](c2ccc(Cl)cc2)c2ccsc2)cc1OCCCC#N 64614468 WPSZASHDXCDJRY-HSZRJFAPSA-N 426.969 5.972 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)c1nnc(-c2ccccc2)o1 104896147 ZNNAAMAMKHLVKU-HNNXBMFYSA-N 437.500 5.086 30 20 IKED CCN(C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)[C@@H](C)c1ccc(C#N)cc1 105906879 MGDVZPURAAGGBH-INIZCTEOSA-N 445.523 5.230 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(Cc2ccccc2Cl)c1 107807117 PVSYSDFQDYVNAN-UHFFFAOYSA-N 443.894 5.205 30 20 IKED C=CCn1c(Sc2ncnc3sc(-c4ccccc4)cc23)nnc1-c1ccccn1 301733211 YYCLSMYSAAKBLV-UHFFFAOYSA-N 428.546 5.349 30 20 IKED C=CCCc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 410348374 IUOPWHLIHLUREZ-UHFFFAOYSA-N 444.560 5.436 30 20 IKED CCN(C(=O)Nc1ncccc1OCCCC#N)[C@@H](C)Cc1ccccc1C(F)(F)F 432425198 UEPZYGLGXFOVKZ-INIZCTEOSA-N 434.462 5.268 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1 432712294 BNBLKBIVWTTWEW-UHFFFAOYSA-N 446.938 5.571 30 20 IKED CC(C)NC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 437489950 KFZDPYNGUVIALU-UHFFFAOYSA-N 432.455 5.272 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](c2ncc(C)s2)C2CC2)cc1 438218589 VTZUBESSTFHGFX-NRFANRHFSA-N 434.521 5.397 30 20 IKED CN(Cc1ccccc1NCc1ccc(C#N)cc1OC(F)F)C(=O)c1cccs1 439559224 BZQXCUFGNCZLOR-UHFFFAOYSA-N 427.476 5.105 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1cccc([C@@H](C)OC)c1)c1ccc(C(F)(F)F)cc1 442058175 NSTFJEYMPDBQPE-QRWLVFNGSA-N 434.458 5.175 30 20 IKED CN(CCC(C#N)(c1ccccc1)c1ccccc1)C1CCN(C(=O)c2ccccc2)CC1 444675470 MHKYXOGZDHCGRM-UHFFFAOYSA-N 437.587 5.123 30 20 IKED N#Cc1cccnc1OC1CCC(NC(=O)N(Cc2ccccc2)Cc2ccccc2)CC1 446628604 NIGGSSCTNXRFDC-UHFFFAOYSA-N 440.547 5.055 30 20 IKED CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 460117392 RXRNFXJQZAEMKE-QFIPXVFZSA-N 439.968 5.221 30 20 IKED C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC2(CCOCC2)CC1 460372309 WZSGJVFWYTWXQB-UHFFFAOYSA-N 438.616 5.262 30 20 IKED C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@H](OCCC)CC1 460930851 TTXWKEREAQDZKK-NRFANRHFSA-N 442.604 5.103 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 460958301 KJUKQBISOHNOAA-NOZRDPDXSA-N 444.579 5.248 30 20 IKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 464426175 MLLFPELEYNQRNA-NSHDSACASA-N 440.208 5.861 30 20 IKED O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1c(F)cc(C(F)(F)F)cc1F 464504175 GRRJJSHGZNELTF-UHFFFAOYSA-N 431.254 5.706 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)NCc2cc(Cl)ccc2OC(F)F)CC1 465884258 FSOYVLVQUMJXBF-UHFFFAOYSA-N 449.885 5.002 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCN(c2ncccc2Cl)C1 466516028 PSUMWNUFUVIOOV-SFHVURJKSA-N 447.926 5.108 30 20 IKED O=C(CSCCOCC(F)(F)C(F)(F)F)Nc1c(Cl)cccc1C(F)(F)F 468638786 NEPSLWDMANNVFT-UHFFFAOYSA-N 445.759 5.245 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@@H]3CCCc4c(Br)cccc43)ccc21 469308221 YSAQARYBGRMTCO-OAQYLSRUSA-N 438.369 5.522 30 20 IKED Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469949739 DJMISMFGLVJJDT-LJQANCHMSA-N 433.552 5.107 30 20 IKED Cc1nc2cc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)ccc2n1Cc1ccsc1 473090984 VVEQLLDSTXTCRB-VWNXMTODSA-N 440.572 5.367 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cn1c(C)nc2cc(F)c(F)cc21 475587904 OMDLHZRKWQVXRC-UHFFFAOYSA-N 446.457 5.021 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1csc([C@H](C)OC)n1 476511048 KICYZUSHCMVKSH-ZDUSSCGKSA-N 436.990 5.153 30 20 IKED C=C(C)[C@@H](NC(=O)N[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C)c1ccc(F)c(F)c1 477217583 XRNOMKXFIDEXKL-BBATYDOGSA-N 430.421 5.018 30 20 IKED Cc1ccc(-c2ccc(C)c(NC(=O)C(=O)Nc3ccccc3SC[C@H](C)C#N)c2)o1 484953713 OFDDAUQYNIEDEN-OAHLLOKOSA-N 433.533 5.392 30 20 IKED C=CCSc1ccccc1C(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 485477677 RVNVIQFCCJCCCU-UHFFFAOYSA-N 439.584 5.807 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nnc1-c1cccs1 489462937 LNCREZYLIXRPTI-GJZGRUSLSA-N 438.578 5.297 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1CC 489665986 KNPRZILBGTTXRA-UHFFFAOYSA-N 428.558 5.113 30 20 IKED CCCCCc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)cc1 492245692 IGKZZDDSBWWWMA-UHFFFAOYSA-N 431.496 5.357 30 20 IKED COc1ccc(NC(=O)c2ccc(NCc3cc(C#N)ccc3Br)cc2)cc1 492645618 ABSXBRBNMMWYPF-UHFFFAOYSA-N 436.309 5.194 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 494026550 IZJBAOWWDCPKRZ-LJQANCHMSA-N 442.588 6.197 30 20 IKED Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1ccccc1Sc1ccccc1C#N 498453049 PHDPDJJQZQEIRM-UHFFFAOYSA-N 441.556 5.506 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 501018792 GXFXZJYEELEDEK-UHFFFAOYSA-N 433.414 5.250 30 20 IKED COc1ccc(N(C#N)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)cc1Cl 502465125 CECPPZOWAULUQC-UHFFFAOYSA-N 433.895 5.296 30 20 IKED C[C@H]1CCc2c(sc3nc([C@@H](C)N4CC=C(c5ccc(C#N)cc5)CC4)nc(O)c23)C1 502548766 OXINAZHBGBVTPN-JKSUJKDBSA-N 430.577 5.244 30 20 IKED N#Cc1cccc(C2(NC(=O)N[C@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)CC2)c1 502679124 KXQCLNKNVKRJSP-QGZVFWFLSA-N 441.375 5.559 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1 504782327 NSFQJDZIEQVUJU-UHFFFAOYSA-N 444.387 5.925 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(NC(C)=O)c(SC)c2)cc1 505678377 QUMYNNAMEMGEKG-UHFFFAOYSA-N 447.516 5.292 30 20 IKED O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 505965812 LDFLPLMGLCQWBF-UHFFFAOYSA-N 447.310 5.224 30 20 IKED Cc1nc(COc2cccc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)c2)cs1 505977103 QIEPMZYEVUEGLH-IBGZPJMESA-N 432.332 5.332 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(OC)cc1)c1ccccc1OC 506695637 MZIUGBIEUKZPOM-SANMLTNESA-N 443.547 5.287 30 20 IKED CCCOc1ccccc1Oc1ncccc1CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 507710473 WBJVQFZQOITMAS-UHFFFAOYSA-N 447.510 5.267 30 20 IKED CCN(C(=O)c1ccc(OCc2cn3cc(C)ccc3n2)cc1)[C@H](C)c1ccc(C#N)cc1 509563930 JSKGOFVXELALQJ-HXUWFJFHSA-N 438.531 5.317 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C 511296019 IQAKERWOZHPTFF-UHFFFAOYSA-N 432.568 5.183 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1nc(-c2ccncc2)cs1 512953166 QMHOTWQZXJQSII-QGZVFWFLSA-N 432.892 5.536 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)c12 513210628 PWDORFUTHMVJDE-MRXNPFEDSA-N 443.473 5.522 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)C3CC3)c2)cc1Cl 514465884 LISBLQQAAQZZGJ-QFIPXVFZSA-N 429.907 5.596 30 20 IKED Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 515656097 HNCDWISOPVBHMM-NRFANRHFSA-N 442.559 6.170 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(Oc4ccccc4)nc3)c2)c1 515676430 FRJBXSOVDAWWKO-UHFFFAOYSA-N 434.455 5.250 30 20 IKED Cc1ccc(C[C@@H](C#N)Sc2nc3sc(C)c(C)c3c(=O)n2Cc2ccccn2)cc1 515843486 JQUAQMFKTZETFZ-FQEVSTJZSA-N 446.601 5.054 30 20 IKED C[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 518248450 HWILDRMVFSZEDI-MRXNPFEDSA-N 433.895 5.162 30 20 IKED N#C[C@@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)c1ccc(OCc2ccccc2)cc1 519131100 AUQPJQBSRQLPBA-DHIUTWEWSA-N 438.449 5.683 30 20 IKED CCCOc1c(Cl)cc(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1OC 520338125 SPDMZNRQOMVTIX-UHFFFAOYSA-N 442.943 5.129 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CCCN(c4ccccc4)C3)cc2F)c1 522429329 QPVFEZIOKRCGKB-JOCHJYFZSA-N 444.510 5.067 30 20 IKED COc1cc(CSc2nc(C)nc(C)c2C(C)=O)ccc1OCc1cccc(C#N)c1 522623919 QDCJOUIPQMUNHH-UHFFFAOYSA-N 433.533 5.048 30 20 IKED CN(C)c1cccc([C@@H]2CCCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1 522784170 REIBIRPPMAWESG-QFIPXVFZSA-N 431.565 5.041 30 20 IKED C[C@@H](CC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1cccc(C(F)(F)F)c1 523088496 MMDYAKLOPSKVJN-ATIQYGATSA-N 430.470 5.577 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N(Cc3ccncc3)C3CC3)cc2Cl)c1 524441552 OVHXOBJEVIGVKH-UHFFFAOYSA-N 432.911 5.382 30 20 IKED CCN(CC)CC1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CC1 524441724 YGOFLSOQJNUWSY-UHFFFAOYSA-N 434.584 5.031 30 20 IKED N#CCCn1cc(C(=O)CN2CCC(c3c[nH]c4cc(F)ccc34)CC2)c2ccccc21 532557157 BEAGOCDRGZTFQF-UHFFFAOYSA-N 428.511 5.238 30 20 IKED O=C(Nc1cccc(O)c1F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 535658275 MFTPFCBRBFKCDU-OWUVQDENSA-N 439.371 5.592 30 20 IKED Cc1cc(C)c(C[C@@H](C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)C(F)(F)F)c(C)c1 535887983 LXTMOVRNNWBZAH-AWEZNQCLSA-N 449.357 5.676 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3cc(N4CCCC4=O)ccc3Cl)c2)cc1 536317070 NQMXOJXYRNSTIY-UHFFFAOYSA-N 431.879 5.383 30 20 IKED Cc1nc(NC(=O)c2ccc(Br)cc2C(F)(F)F)sc1SCC#N 537342658 FXSPGTCHLPYQJR-UHFFFAOYSA-N 436.278 5.101 30 20 IKED N#CC1(c2ccc(C(=O)N(Cc3ccccn3)c3ccc(Br)cc3)cc2)CC1 538529349 BBUAGOHHICQYGY-UHFFFAOYSA-N 432.321 5.246 30 20 IKED CN1CCC[C@@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 540718569 KYNOLJUNZDLMTC-SIKLNZKXSA-N 441.497 5.073 30 20 IKED Fc1ccc(-c2nc(CN[C@H](c3ccc(OC(F)(F)F)cc3)C(F)(F)F)co2)cc1 541088486 FRKQWXSOLWHBOD-MRXNPFEDSA-N 434.311 5.773 30 20 IKED FC(F)(F)c1cc([C@@H](NCc2cnc3ccccn23)C(F)(F)F)cc(C(F)(F)F)c1 541193282 GDUPZHZIFLUNSG-OAHLLOKOSA-N 441.297 5.765 30 20 IKED Cc1ccc(CN(CCO)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 542108464 GBBFDLCIPKGXNP-QHCPKHFHSA-N 433.939 5.330 30 20 IKED N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(Cl)cc3-c3nc4ccccc4[nH]3)n2)c1 543075202 JYXOYOBNLRUZSN-UHFFFAOYSA-N 438.878 5.193 30 20 IKED N#Cc1ccccc1OCc1cccc(-c2nc(-c3cccc(Cn4ccnc4)c3)no2)c1 545571429 COLQIZREQMAXRM-UHFFFAOYSA-N 433.471 5.099 30 20 IKED C=CCNC(=O)c1cccc(-c2noc(CCC(=O)c3ccc(-c4ccccc4)cc3)n2)c1 545656975 CFJAIVPIHLIQKM-UHFFFAOYSA-N 437.499 5.135 30 20 IKED C=CCOc1cccnc1-c1nc(-c2ccccc2-c2ccc(Cn3cccn3)cc2)no1 547028142 TUKJEMRXJDGBBY-UHFFFAOYSA-N 435.487 5.275 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCOc3ccc(F)cc32)cc1 548409223 JJNHWHPMFKXMPF-HXUWFJFHSA-N 433.439 5.144 30 20 IKED N#C[C@H](C(=O)c1cc2ccccc2cc1OC(F)F)c1nc2ccccc2n1C(F)F 556503881 DRYCVIYLCUWDDI-OAHLLOKOSA-N 427.357 5.676 30 20 IKED C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2sc(-c3csc(C)n3)cc2C1 558454888 NKWAOHZGFCKIIU-UHFFFAOYSA-N 444.589 5.059 30 20 IKED CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=O)c1cnccc1C#N 561639583 IGQREORJSDDYQO-QFIPXVFZSA-N 439.437 5.254 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3cc(F)c(Br)cc3Cl)cc2)ccn1 565452320 AQAMKVGSZRNOCR-UHFFFAOYSA-N 446.663 5.553 30 20 IKED Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 565687565 JLPNXZLIVQYEQC-UHFFFAOYSA-N 429.867 5.145 30 20 IKED N#Cc1cc(Br)ccc1CN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 576726867 MOGAYYNFXMFRPZ-NRFANRHFSA-N 426.745 5.443 30 20 IKED Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 578385967 JNLYCOVDFYZYLL-UXHICEINSA-N 437.609 5.574 30 20 IKED C=CCN1CCC(NC(=O)Nc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)CC1 592923502 RIEDSZZXFQHAHB-UHFFFAOYSA-N 433.474 5.056 30 20 IKED Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3sc(-c4ccccc4)cc3C#N)C2)cc1 603969067 ZAFWPXYGOLVHNO-FQEVSTJZSA-N 429.545 5.086 30 20 IKED N#Cc1c(NC(=O)c2ccc(F)cc2Br)sc2c1-c1ccccc1CC2 603992510 XBZVVZBEIHPIID-UHFFFAOYSA-N 427.298 5.539 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)COCc1nc2ccccc2s1 604358252 KUDZLIMVQVAJFC-UHFFFAOYSA-N 429.501 5.424 30 20 IKED O=C(Nc1cccc(Cl)c1F)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 606162221 ZKYRFBYNCLXDTP-UHFFFAOYSA-N 445.718 5.614 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 607291886 UWPNMQAYNNBQQC-UHFFFAOYSA-N 445.993 5.204 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 608892594 ATASXODQCKHXQN-UHFFFAOYSA-N 443.429 5.317 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1nc(-c2ccccc2)cs1 609378439 MCWRBEBPXRXZDS-UHFFFAOYSA-N 433.480 6.087 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1ccccc1S[C@H](C)CC#N 609427865 YVUGAHKAOHRQEB-CYBMUJFWSA-N 427.982 6.419 30 20 IKED COc1cc([C@@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)ccc1OCC(C)C 609499524 DUUDAQFSOWSICK-GOSISDBHSA-N 445.519 5.280 30 20 IKED C[C@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccc(Br)cc1 609556351 ZMOFATSGLWCITB-VMEOHVCESA-N 442.357 5.071 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@](C)(CO)c1cccc(C(F)(F)F)c1 609712794 NZTHRAXFMZKEMA-VLIAUNLRSA-N 437.487 5.129 30 20 IKED CCO[C@@H](C)c1nc(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cs1 609754911 ORXFXSBANMDDRM-HNNXBMFYSA-N 437.521 5.094 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 609778005 KVMJUZQUYHSWLS-HXUWFJFHSA-N 441.984 5.428 30 20 IKED N#CC1(C(=O)NCc2ccc(OCCCOc3ccc(Cl)cc3Cl)cc2)CCC1 609860639 DJLBXOWGTCCMEJ-UHFFFAOYSA-N 433.335 5.151 30 20 IKED Cc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(C)c1 609942102 ANEILSSACNCORT-IBGZPJMESA-N 427.504 5.126 30 20 IKED CC[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(F)cc1F 610016708 NKQOUGTXKZRXPF-QFIPXVFZSA-N 434.446 5.362 30 20 IKED COc1ccc(OC)c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 613345988 AYJCIYBASKYJPW-OAHLLOKOSA-N 433.316 5.624 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2nc3ccccc3s2)o1)c1nc2cc(Cl)ccc2s1 613403995 YMUYRSIBHHVDHC-LBPRGKRZSA-N 435.917 6.309 30 20 IKED COc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1OC 642281615 MMTRPUQZUWQTBY-CQSZACIVSA-N 433.316 5.624 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)cc1 643188821 SVNZVJCCFBNBFY-UHFFFAOYSA-N 440.421 5.775 30 20 IKED C=CCc1ccccc1OCC(=O)Nc1c(Br)cc(C)cc1Br 668531615 IQHJJXCLRCCPQM-UHFFFAOYSA-N 439.147 5.266 30 20 IKED O=C(Nc1ccccc1Oc1cccc(F)c1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674563012 RKAABFUMNHKEOU-KBPBESRZSA-N 436.327 5.823 30 20 IKED FC(F)(F)c1ccc(-c2nc(CN3C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C3)co2)cc1 677378680 QZHVUFILLRWILA-CHWSQXEVSA-N 432.286 5.533 30 20 IKED CC(C)Oc1ccc(NC(=S)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 726482252 ZXCZJODKWDDYGV-UHFFFAOYSA-N 433.552 5.884 30 20 IKED N#CCOc1ccc(CNC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 727678171 IVGNYRWXMODZIU-XMMPIXPASA-N 436.964 5.381 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(N4CCCC4)cc3)cc2F)c1 728391881 DKAPVGWCZVWUDH-UHFFFAOYSA-N 444.510 5.198 30 20 IKED N#C[C@@H](C(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(=O)Nc1ccc(Cl)cc1Cl 728766667 FNBJMGFKUYTXCU-KBPBESRZSA-N 429.225 5.377 30 20 IKED CCOc1ccc(-n2c(-c3ccccc3Cl)nn(CN(C)[C@@H](C)CC#N)c2=S)cc1 728901911 DRRJDBARCMUPQB-INIZCTEOSA-N 441.988 5.314 30 20 IKED CCSc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 729064861 LSDQMTCSVFQEON-KOSHJBKYSA-N 443.572 5.270 30 20 IKED CCCN(CC)C(=O)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc([C@H](C)CC)cc2)cc1 729187350 AOARHQXUQGQFPJ-JPYJTQIMSA-N 433.552 5.033 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2cc(Br)cs2)cc1 730473691 HLJPCAQCLUIONC-FQEVSTJZSA-N 425.351 5.737 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 730989680 MTVDPDOKJDTSEG-XIKOKIGWSA-N 434.348 5.377 30 20 IKED Cc1sc2ncn(N=C(CC(F)(F)F)c3ccc(Br)cc3)c(=O)c2c1C 731924487 ILYDDKYAYBZGQJ-UHFFFAOYSA-N 444.276 5.042 30 20 IKED CCCOc1c(Br)cc(/C=C/C(=O)c2c(C#N)c3n(c2C)CCC3)cc1OC 731938319 PIZWARRGSXNFSH-BQYQJAHWSA-N 443.341 5.070 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1 732636845 DIJOAYFLHDIABE-UHFFFAOYSA-N 429.426 5.506 30 20 IKED CC(C)(C)OC(=O)N1CCCC[C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 733621667 LUMHCEKMQFSQAN-DHIUTWEWSA-N 448.567 5.253 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1 733851705 HVICQPQERMZAGK-MOPGFXCFSA-N 434.565 5.066 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2)cc1 734317844 BXJWGXALYDZDOT-MUUNZHRXSA-N 443.506 6.045 30 20 IKED C=CC[C@H](NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccncc1 734457805 PDWRMYZBMPPMCP-FQEVSTJZSA-N 436.899 5.303 30 20 IKED C=CCn1c(COc2ccccc2F)nn(CN2C[C@@H](c3ccccc3)C[C@H]2C)c1=S 734475983 ASIYPEPMBULYBK-QUCCMNQESA-N 438.572 5.154 30 20 IKED N#CCOc1ccc(Cl)cc1COC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 735334286 IAKQDNJFFSMEMI-HSZRJFAPSA-N 447.874 5.054 30 20 IKED CCOC(=O)N1[C@H](C(=O)Nc2ccccc2SC[C@H](C)C#N)CC[C@H]1c1ccc(C)o1 736480070 VOFUPLVHFIZBPV-MNEFBYGVSA-N 441.553 5.141 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@H]1CCCc2nc(-c3ccccc3)sc21 741196125 WCCJJJAEEUULDN-NRFANRHFSA-N 434.565 5.091 30 20 IKED C#CCCN1CCC(NC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)CC1 743493263 LFNNWFILIGAUBZ-UHFFFAOYSA-N 436.552 5.082 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)[C@H](Sc3ccccc3F)c3ccccc3)o2)c1 744976539 KRGMHUBEKZFMMS-JOCHJYFZSA-N 445.475 5.324 30 20 IKED Cc1ccc2[nH]cc(CCC(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2c1 747106307 PRPZZQMGOYEWOL-MRXNPFEDSA-N 427.451 5.914 30 20 IKED C#CCN1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc(OCC)cc2)CC1 747625384 NIJOCJPYPMPJKB-UHFFFAOYSA-N 446.469 5.180 30 20 IKED Cc1nc2ccc(/C=C3/SC(=S)N(c4ccc(C#N)c(Cl)c4)C3=O)cc2s1 754834914 TWRFMNHVXSJZEQ-REZTVBANSA-N 427.963 5.536 30 20 IKED CCCCCCCCNC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 754861555 FOJHUHBBUMCMIG-UHFFFAOYSA-N 438.410 5.170 30 20 IKED N#C[C@@H](C(=O)CCCc1ccc(F)c(F)c1)C(=O)Nc1ccccc1Oc1ccccc1 756234131 QWMBFCMMNKXGJG-IBGZPJMESA-N 434.442 5.427 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)c1cccc(C(=O)c2ccccc2)c1 762049796 GJWOWQBXIMAWHL-HTAPYJJXSA-N 437.524 5.416 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H](O)c1ccccc1C(F)(F)F 762379370 UEIQVDJIUFFJGN-LJQANCHMSA-N 442.462 5.192 30 20 IKED C[C@@H](CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 763368237 ROMFRFBGGSBMNQ-QYZOEREBSA-N 445.629 5.550 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2cc(NC(=O)CCC)ccc2Cl)cc1OC 764560311 AHBPYYNOUKRMNX-XYOKQWHBSA-N 428.916 5.304 30 20 IKED Cc1ccc(C(=O)O[C@@H](C#N)C(C)(C)C)cc1NC(=O)c1ccc(Br)cc1 765630154 QSRMFFAGNODYBF-SFHVURJKSA-N 429.314 5.105 30 20 IKED Cn1ccnc1C(=O)[C@H](C#N)C(=O)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1 770868162 FFSXFXBQWPZCMS-GOSISDBHSA-N 444.343 5.225 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)[C@H](C#N)C(=O)Nc2c(CC)cccc2CC)c1 772646133 RMDKBEMGULVBTO-DEOSSOPVSA-N 440.543 5.838 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(CC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1 777296752 LPDZUISGWCIHOG-INIZCTEOSA-N 441.940 5.716 30 20 IKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc(OC)c1C(C)C 781447076 BKNSARQHOUCADL-INIZCTEOSA-N 435.307 5.095 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 782580759 FUQJGHWEJAQTOD-FQEVSTJZSA-N 431.561 5.022 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)c1cccc(-c2ccoc2)c1)c1ccc(Cl)cc1Cl 787055023 YTFCEWQMQNWCRM-ORAYPTAESA-N 427.287 5.453 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cc2ccccc2nc1Br 788112342 RINARXVKELQAPD-UHFFFAOYSA-N 428.289 5.788 30 20 IKED C[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)C(=O)N1c2ccccc2Sc2ccccc21 795982384 HPSKCFIVIJAJCN-AZUAARDMSA-N 442.540 5.835 30 20 IKED Cc1c(C(=O)OCC(=O)c2ccc(C(F)(F)F)nc2Cl)sc2ccc(C#N)cc12 796613866 DUUDCCFIVOPRCF-UHFFFAOYSA-N 438.814 5.188 30 20 IKED N#CC[C@@H](CC(=O)O[C@@H](c1ccc(Br)cc1)C(F)(F)F)c1ccccc1 796696267 DVTGFSXAZSIMFY-YJBOKZPZSA-N 426.232 5.683 30 20 IKED COc1cc(CCC(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)ccc1OCC(F)(F)F 797570191 DHEMIUQIZRGGBX-AWEZNQCLSA-N 440.487 5.199 30 20 IKED Cc1c(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)sc2cc(F)ccc12 805706679 KDXMHTDCHOHTHJ-CYBMUJFWSA-N 442.537 5.396 30 20 IKED C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813217122 JNHTUDXDUXNKTK-XHDPSFHLSA-N 435.858 5.659 30 20 IKED C[C@H](Nc1ccc([C@H](O)C(F)(F)F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 864021116 HGTPBWJTYOXTNX-VFZGTOFNSA-N 431.298 6.493 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 915200040 TVDGCBCBTSSBPG-RDGATRHJSA-N 438.531 5.225 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2nc(-c3sc(C)nc3C)cs2)cc1OC 916077642 QJSHWODEFZZUFB-CLFYSBASSA-N 427.551 5.109 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1 916627284 KMIYQZFJTYCRKO-GOSISDBHSA-N 432.505 5.117 30 20 IKED Cc1cc(-n2c(C)cc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2C)no1 917043420 LWNBPHLCAHEFPQ-HNNXBMFYSA-N 444.438 5.509 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(CC[C@H]2C[C@H]3CC[C@H]2C3)C2CC2)cc1 918466447 FCCOSEXQBVFMIB-SURPGJSWSA-N 441.575 5.098 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3cccc(Cl)c3Cl)n2)cc1 920138855 LBCFEFNAINFBJP-SWLSCSKDSA-N 447.343 5.769 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@H]4c4ccc(Cl)cc4)CCC3)cc2)C1 1785807899 UBCXHRYYALRLLG-XZOQPEGZSA-N 434.967 5.544 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc4[nH]c(C)cc4c3)CCC2)cc1 1786679194 NAYXVONPPMCXSE-UHFFFAOYSA-N 433.577 5.143 30 20 IKED CC(C)(C)CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc(C#N)c1 1792940725 UFZDFESIADYSLY-BKFWDETESA-N 437.628 5.126 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)Cc3ccc4ccccc4c3)CC2)C1 1805453743 VVCHEQHBBVKTFM-UHFFFAOYSA-N 444.619 5.382 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2sccc2Cl)[C@H]1c1cccnc1 1811098687 LJYOKBLRUMPOEE-IEBWSBKVSA-N 446.016 5.109 30 20 IKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)cccc2Cl)CC1 1830598640 IJJUPJWSACMSEP-JOCHJYFZSA-N 429.004 5.075 30 20 IKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cccc(F)c3s2)CC1 1831851015 RZDKSENTHJDBLF-OAQYLSRUSA-N 440.584 5.077 30 20 IKED Cc1cscc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832630408 HYDOZOIDLBKCFC-KOSHJBKYSA-N 449.620 5.231 30 20 IKED C=CCn1c(SCC(=O)c2cc(C)n(Cc3ccco3)c2C)nnc1-c1ccccc1 9447399 HEYWIJURNUYULM-UHFFFAOYSA-N 432.549 5.166 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)c(F)c1)=C(/S)Nc1cccc(C)c1C 10167895 XZPYGUKELNNUAB-UHFFFAOYSA-O 425.524 5.482 30 20 IKED C[C@H](OC(=O)c1cc2sc(Nc3ccccc3)nc2s1)C(=O)Nc1ccccc1C#N 10236296 MVNDIESYUZTWFX-ZDUSSCGKSA-N 448.529 5.157 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2cccc(CO)c2)c1 11126889 YHVNINWHVPOPGV-UHFFFAOYSA-O 441.576 5.287 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)c(F)c1)=C(/S)Nc1c(C)cccc1C 11153343 KUCFZKKNDPFOSW-UHFFFAOYSA-O 425.524 5.482 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(C)C)nnc1-c1ccc(Cl)cc1 16862753 RBPRMAHXHSDYBY-MRXNPFEDSA-N 441.000 6.027 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1cccnc1 18405333 OIPIKJJQDFHSBO-NRFANRHFSA-N 445.523 5.137 30 20 IKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)cc1C 22062977 SIOFIRMDGLZQNI-UHFFFAOYSA-N 449.555 5.075 30 20 IKED Cc1c(C#N)c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc2c1CCC2 22120325 JSEBLUKFQKOFQW-UHFFFAOYSA-N 425.863 5.153 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(C)cc2C)cc1 22729506 RLMLDWURUGZQKW-UHFFFAOYSA-O 439.551 5.873 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)nnc1-c1ccc(F)cc1 24014971 YFQDQSUQIAFGCJ-SJORKVTESA-N 436.556 5.119 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(Nc2cccc(F)c2)s1 26526114 VNJYSBSXTMQWPF-CYBMUJFWSA-N 434.587 5.178 30 20 IKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccccc2)c1C 28695776 WQCXSQYRHKOZEC-UHFFFAOYSA-O 442.564 5.326 30 20 IKED CCN(Cc1nc2cc(-c3ccc(OC)cc3)sc2c(=O)[nH]1)[C@H](C)c1ccc(C#N)cc1 110982913 NCAFXOVNIHFJGO-MRXNPFEDSA-N 444.560 5.115 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cc1Cl 304062135 RLVDPQXMHRJTDA-BHIFYINESA-N 444.918 5.509 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 409524404 XUZUHDMXBOBIFH-UNMCSNQZSA-N 446.478 5.036 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(Sc3ccccc3Cl)nn2)s1 430604258 MHCASNMUKAWMBG-GFCCVEGCSA-N 428.970 5.525 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](C)Oc1ccc(Br)cc1 438076691 SMAOLALASMTFFG-LSDHHAIUSA-N 448.386 5.290 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1cnc2ccccc2c1)c1ccc(C(F)(F)F)cc1 442098555 LTQVJADKGFDMFF-HXUWFJFHSA-N 427.426 5.016 30 20 IKED N#Cc1ccc(C2(C(=O)NCc3ccc(Oc4ccccc4C(F)(F)F)nc3)CC2)cc1 444096615 PZWPRIGTMMDSAF-UHFFFAOYSA-N 437.421 5.112 30 20 IKED COc1ccc(C)cc1-c1csc(NC(=O)c2cn(CCCC#N)c3ccccc23)n1 444175730 LPIWLBJRXWDHKP-UHFFFAOYSA-N 430.533 5.638 30 20 IKED C=CC[C@H]1N(C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)CCCC1(C)C 444906446 WTLNTXBGANQKEA-JOCHJYFZSA-N 442.581 5.481 30 20 IKED N#C[C@H](C(=O)c1cc(F)cc(C(F)(F)F)c1)c1nc(-c2c(F)cccc2F)cs1 446802606 QTGSLZXOMDREIG-GFCCVEGCSA-N 426.341 5.736 30 20 IKED C=C(C)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)c1ccc(-c2ccccc2OC)cc1 460962629 ZRKLFKHIMDGIIU-SIKLNZKXSA-N 432.568 5.231 30 20 IKED CC[C@@H](C)N(C(=O)c1ccc(Sc2ccccc2C#N)cc1)c1ccc(C(N)=O)cc1 463607740 UUJUCVNWKIQBOU-QGZVFWFLSA-N 429.545 5.254 30 20 IKED COc1cc([C@@H](C#N)NC(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)cc(OC)c1OC 463629476 IVGVYLVKZRTFGX-LJQANCHMSA-N 448.519 5.265 30 20 IKED N#C[C@H](C(=O)c1cc2ccccc2n1Cc1ccccc1F)c1cc(C(F)(F)F)ccn1 464430023 XULOROUFKDWRIY-SFHVURJKSA-N 437.396 5.733 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)Cc2nc([C@H](C)OCC(C)C)no2)cc1 464802126 MGIDWWWGZDVADX-SFHVURJKSA-N 448.523 5.048 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 467830521 MYKMHGSRULVOGK-UHFFFAOYSA-N 446.290 5.472 30 20 IKED Cc1ccccc1[C@@H](CC(C)C)NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470558560 IAJRZACOAQXHFS-HSZRJFAPSA-N 432.568 5.487 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1 472870135 CAIPYSJAOUVZLR-UHFFFAOYSA-N 438.915 5.496 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(-c3ccc(F)cc3)on2)cc1 474245718 MKAIEDJMPFSAFH-UHFFFAOYSA-N 427.435 5.378 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCn1c(C)nc2ccccc21 476023565 HGDZWIPHPVQJJG-UHFFFAOYSA-N 426.495 5.287 30 20 IKED C=C(C)[C@@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccn(C)n1)c1ccc(F)c(F)c1 477736225 CYPITEVWHXTARO-RTWAWAEBSA-N 430.886 5.058 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(Cl)cc3Br)CC2)cc1 478739156 KBZPRGUYANVEEF-UHFFFAOYSA-N 434.721 5.049 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N[C@H](c2ccccc2)c2nccs2)cc1 479648549 LPFJXSVVTTXAAL-JOCHJYFZSA-N 427.554 5.685 30 20 IKED N#Cc1cccc(-c2cnc(CNC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)o3)[nH]2)c1 479696609 YKZILHONUVVXDF-UHFFFAOYSA-N 436.393 5.157 30 20 IKED N#Cc1c(NC(=O)CCN[C@@H](c2ccccc2)c2nccs2)sc2c1CCCCC2 479993813 WKJMQFOVNFDFJV-NRFANRHFSA-N 436.606 5.053 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 480564601 CJDCHNMEOAEXRO-IFXJQAMLSA-N 433.936 5.479 30 20 IKED N#CCCCOc1cccnc1NC(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1 481285580 NBGVGQZZMBARBH-UHFFFAOYSA-N 432.446 5.227 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1c(F)cc(F)cc1Br 482298057 BBWDCOLCCFANGM-UHFFFAOYSA-N 427.293 5.115 30 20 IKED Cc1nn(-c2ccc(C(=O)[C@@H](C#N)c3nccc4ccccc34)cc2)c(C)c1Br 483246762 VCZNAHCXVGQSJC-FQEVSTJZSA-N 445.320 5.290 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2c(C)cc(C)cc2C)o1 483289598 APOCBFPZXXHXPX-QGZVFWFLSA-N 427.595 5.419 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccccc3NC(=O)c3cccs3)c2)cc1 483672875 WUCFMUGOUDJFKC-UHFFFAOYSA-N 439.496 5.917 30 20 IKED CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 484895985 VLIHRFVNHNOUMA-UHFFFAOYSA-N 433.489 5.410 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 485257746 GWGLNURCUBHIAG-UHFFFAOYSA-N 444.572 5.293 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 487307569 GOOPEUQCBZKSLB-GOSISDBHSA-N 431.363 5.837 30 20 IKED O=C(Nc1cc(Cl)ccc1C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 489652081 LGNBMFZHVNDSEC-UHFFFAOYSA-N 428.682 5.707 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@H]3CCO[C@@H]3c3ccccc3)cc2F)c1 489865028 WMKWMTKQPSUONW-PXDATVDWSA-N 445.494 5.176 30 20 IKED Cc1c(C(=O)N2CCC3(CCN(Cc4ccccc4)C3)CC2)sc2ccc(C#N)cc12 493721061 BTLHOJISCIPGSN-UHFFFAOYSA-N 429.589 5.210 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ncon2)cc1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 499573328 KBAHTMWTQAXYJS-NFQTVLRUSA-N 430.533 5.151 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCCc1nc2ccccc2s1 500744198 NXHZKNQNFHIXMT-UHFFFAOYSA-N 427.529 6.230 30 20 IKED CC(C)c1nc([C@H]2CCCCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)no1 500755706 ZVBRYDCREKFZPJ-JOCHJYFZSA-N 445.523 6.006 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(-c3ncco3)cc2)cc1 501380091 CAEIELLQNVZKEN-UHFFFAOYSA-N 426.451 5.587 30 20 IKED CCc1ccccc1N(C(C)=O)c1nc(CN2CC=C(c3ccc(C#N)cc3)CC2)cs1 502545553 WJDVJMHYXTWHIV-UHFFFAOYSA-N 442.588 5.551 30 20 IKED N#Cc1cc(NC(=O)c2cccc(C(=O)Nc3ccccc3)c2)ccc1OCC(F)(F)F 506449925 BOXIRFZEEIOCNX-UHFFFAOYSA-N 439.393 5.004 30 20 IKED Cn1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc2ccccc2c1=O 507774731 YCPOYSYSCFMHKX-UHFFFAOYSA-N 429.863 5.108 30 20 IKED C=CCN(C(=O)CC1CCC(C)(C)CC1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 508144149 APMAAHZWXZBMNB-UHFFFAOYSA-N 446.638 5.339 30 20 IKED C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(Nc2cccc(C)c2)CC1 508748246 QJUNBWYAMXASKW-LJQANCHMSA-N 435.547 5.133 30 20 IKED COc1ccc(OC)c([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 514079165 YZPKXKGRGAYFFW-GOSISDBHSA-N 447.510 5.188 30 20 IKED C[C@@H](c1ccccc1)n1c(SCC(=O)Nc2cccc(C#N)c2)nnc1-c1ccccc1 515572519 IOWQSIMPYRTMHH-SFHVURJKSA-N 439.544 5.157 30 20 IKED CCC[C@H](CCCS(C)(=O)=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 516536556 BLVQNVXFYSZZNL-WIYYLYMNSA-N 447.000 5.175 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CSc2nc3ccccc3o2)cc1 516539866 WRSQXJCFPDPTLF-UHFFFAOYSA-N 429.501 5.204 30 20 IKED COc1cc(CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C2CC2)ccc1O 518222946 DQUPJDHQBANGPJ-UHFFFAOYSA-N 429.476 5.261 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 519106755 QQPFKZXGHKEXCN-JTQLQIEISA-N 427.860 5.737 30 20 IKED CC(C)[C@H](Oc1ccccc1Br)C(=O)Nc1ccccc1SC[C@@H](C)C#N 520837201 MMELNNMEURKYCR-YWZLYKJASA-N 447.398 5.743 30 20 IKED Cc1cc(F)ccc1N1CCC[C@H](NC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 522702599 UTFGDBQHRCAORH-HKUYNNGSSA-N 426.561 5.319 30 20 IKED Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 522978148 SITGKOJEGVBIAH-UHFFFAOYSA-N 446.410 5.093 30 20 IKED CN(c1ccccc1)C1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 530739871 UCKQSELJXKLNRX-UHFFFAOYSA-N 425.532 5.286 30 20 IKED COc1cccc(/C=C(/CC(=O)Nc2cc(CC#N)ccn2)c2nc3ccccc3s2)c1 531929534 SKNOXGJAGDKLSW-UYRXBGFRSA-N 440.528 5.335 30 20 IKED CN(CCCc1ccccc1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 533894904 IOKUHZAPBFDRDC-HSZRJFAPSA-N 445.950 5.025 30 20 IKED Cc1cc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)ccc1NC(=O)c1cccs1 533941053 CJRUJDCFWAHWEN-NRFANRHFSA-N 431.561 5.601 30 20 IKED C=CCN(CCc1ccccc1)Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1 535219686 IVVIAVGRUQLXCH-UHFFFAOYSA-N 425.985 5.712 30 20 IKED Cc1cc(C(=O)Nc2cc(C#N)ccc2OC(F)F)ccc1NC(=O)c1cccs1 536251816 YRSJWOAZVNJUOG-UHFFFAOYSA-N 427.432 5.034 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)cc1Cl 539028304 FAEXJLILRWWDAS-ZWSUVBHBSA-N 445.950 5.895 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 539777669 WKCRNXAWUFTOIR-UHFFFAOYSA-N 425.347 5.112 30 20 IKED Cc1cccc(C)c1NC(=O)CN(C)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 541157657 VEHSTMBQYUHXTP-FQEVSTJZSA-N 440.547 5.183 30 20 IKED Cc1cc(F)cc2c(=O)c(C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)c[nH]c12 541171775 FMLDWFVJEJDQTO-MRXNPFEDSA-N 425.463 5.005 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1ccc(C#N)c(C(F)(F)F)c1 542005959 JVIXACKEWWFWSQ-CYBMUJFWSA-N 435.496 5.702 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1cccc2ccsc12)c1ccc(-c2cccc(C#N)c2)cc1 542998610 LGMGAYLGAQBVLN-MRXNPFEDSA-N 425.513 5.256 30 20 IKED COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1SC 543856963 QGFMNHDSJJLUFE-HNNXBMFYSA-N 447.516 5.355 30 20 IKED C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](CC(F)(F)F)C1 555253877 UBLMJXMDZAZNIE-LBPRGKRZSA-N 447.274 5.202 30 20 IKED Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 561711460 GUNKKCLLCPWPPO-CALCHBBNSA-N 435.543 5.040 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1ccccc1OC(F)F 563612536 BEZLFADMGFTITG-UHFFFAOYSA-N 446.450 5.003 30 20 IKED Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N 565126613 SXZOPDUUXVATLL-AZUAARDMSA-N 437.609 5.431 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C 577203258 XKZBJDZOHKCXAG-UHFFFAOYSA-N 447.627 5.172 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 579381654 WATWNVLSWGVWOT-SNVBAGLBSA-N 434.418 5.034 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 581280139 PRTGKUSWXRMBCT-UHFFFAOYSA-N 427.430 5.205 30 20 IKED C[C@H](Oc1ccccc1NC(=O)N(C)CCOCc1ccc(C#N)cc1)c1ccccc1 582085919 BJDVURSHOSXYEH-FQEVSTJZSA-N 429.520 5.379 30 20 IKED Cc1ccc(Oc2ccccc2)c(NC(=O)C(=O)N[C@@H](CCCC#N)c2ccccc2)c1 583387420 OLJUALBSEADRNR-QFIPXVFZSA-N 427.504 5.277 30 20 IKED CC(C)OCc1cc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)ccc1O 589242831 IANCFWSOSJDRAQ-UHFFFAOYSA-N 449.482 5.551 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)CCSc3nnc(-c4ccccc4F)o3)c2C#N)C1 589940044 NNZKDICNTRARIU-GFCCVEGCSA-N 442.541 5.055 30 20 IKED O=C(Nc1cc(Br)ccc1F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 601188004 FQESSFKIJMXICW-HTQZYQBOSA-N 437.153 5.183 30 20 IKED Cc1cccn2cc(COc3ccc(C(=O)N(Cc4ccc(C#N)cc4)C(C)C)cc3)nc12 603527255 GNNXVMRWJSIRRH-UHFFFAOYSA-N 438.531 5.144 30 20 IKED C[C@H](NC(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccc(C#N)cc1 604104503 OKKPNKOHKPYNPE-DLBZAZTESA-N 430.483 5.071 30 20 IKED C=CCCCCCN(C)C(=O)Nc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1 606944673 TVUGRNQJSUOHJY-SFHVURJKSA-N 445.995 5.563 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 609064000 HIHQZLBQMJZNDZ-UHFFFAOYSA-N 449.485 5.798 30 20 IKED CCN(C(=O)C[C@H](NC(=O)c1ccc(C)cc1)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 609228294 NBSHTGREARDDEF-LVXARBLLSA-N 439.559 5.338 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCO[C@H](c2ccccc2)C1 609252242 HQNFFZISKQGSGI-VWLOTQADSA-N 427.504 5.655 30 20 IKED C[C@H]1CCCN(Cc2ccc(CNC(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)C1 609436737 SHOABXPDUFKDCL-VQTJNVASSA-N 436.625 5.634 30 20 IKED N#Cc1ccc(OCC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCC3)cc1 609507857 DRMJJVNBQAHXED-UHFFFAOYSA-N 431.542 5.403 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3cccc(OCc4cscn4)c3)c2)cc1 609647661 JHNNZEOIGZAEDM-UHFFFAOYSA-N 441.512 5.425 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1)c1nnc2n1CCCCC2 614438693 VNXWWYOLRPECML-OAHLLOKOSA-N 431.348 5.530 30 20 IKED Cc1cc(Oc2ccccc2)ccc1NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 615093105 JKEMUPSIIHZLHU-UHFFFAOYSA-N 429.476 5.047 30 20 IKED Cc1ccc([C@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c2ccccn2)cc1 619312161 BYRRBGDITVLGSF-VWLOTQADSA-N 435.487 5.360 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3OCc3csc(C)n3)n2)cc1 642281240 RCJDJWNZFMIRPV-FQEVSTJZSA-N 445.569 5.953 30 20 IKED Cc1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)sc1-c1ccc(F)cc1 674446305 IPRBNCXNALGWHP-BETUJISGSA-N 425.369 5.675 30 20 IKED O=C(NCC1(c2ccc(F)cc2)CCCC1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674455307 YQHCFPHYIPUOKL-HUUCEWRRSA-N 426.376 5.020 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](OC1CCCC1)c1ccccc1 726913342 BTMCRQJDRHRAPA-XMMPIXPASA-N 427.504 5.693 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnc(Cc3ccc(F)cc3)s2)cc1 727086012 CZJKULWLRHCLDF-JOCHJYFZSA-N 427.504 5.781 30 20 IKED O=C1/C(=C\c2ccc3ncccc3c2)CN(CC2CC2)C/C1=C/c1ccc2ncccc2c1 727267257 RGAXKINZNAGINU-YXHOTNNGSA-N 431.539 5.545 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cnn(-c3ccccc3Cl)c2)cc1 730224318 ODLDBVYMOZEQKC-UHFFFAOYSA-N 444.947 5.942 30 20 IKED C[C@H]1CCc2c(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)csc2C1 731064031 OPLATNPHHSYESV-LSDHHAIUSA-N 428.579 5.063 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 732434348 ABDAJLUUMKZRRJ-UHFFFAOYSA-N 446.551 5.072 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cc(C(C)C)ccc3c2Cl)cc1 732708907 UQIDYDAGSKYILX-KRWDZBQOSA-N 426.925 5.648 30 20 IKED C#CCN(C(=S)Nc1cccc(CC)c1)[C@@H]1CCOc2ccc(Br)cc21 733085328 CPSVLIPPHOMFAR-LJQANCHMSA-N 429.383 5.167 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc2)nc1 733635576 BJCMMPLQOIFZNT-UHFFFAOYSA-N 428.492 5.129 30 20 IKED Cc1ccc(OCc2cccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2)cn1 733921130 NYFZNDBPAMBDSQ-HHHXNRCGSA-N 433.511 5.877 30 20 IKED C[C@@H](C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccccc1C(F)(F)F 744016408 MUDLDHUZPIKKQN-RISCZKNCSA-N 445.466 5.274 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(Oc2ccccc2)ccn1 745947795 NUFLPUZNAGHLDM-INIZCTEOSA-N 426.259 5.142 30 20 IKED C=CCc1cc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(C)cc3)s2)cc(OC)c1O 747063347 IHEPDNGAPMUJCC-BOPFTXTBSA-N 441.940 5.278 30 20 IKED C[C@@H]1CN(c2ccc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)cc2)C[C@@H](C)O1 747387516 FBPILCLVPOQPEP-WOJBJXKFSA-N 441.531 5.003 30 20 IKED C=CC[C@H](NC(=O)C(=O)Nc1cccc(Sc2ccc(Cl)cc2)c1)c1ccncc1 749725909 OAAOXMIXTNJLFJ-NRFANRHFSA-N 437.952 5.258 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC1([C@H](O)c2ccccc2)CC1 752224257 ITOCOONXSXRJHA-RUZDIDTESA-N 441.531 5.081 30 20 IKED Cc1ccc(Cn2nc(C)c(C(=O)NCC#Cc3ccc(C(F)(F)F)cc3)c2Cl)cc1 752380313 YEMWDLBYGKKMKO-UHFFFAOYSA-N 445.872 5.002 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2cc(F)ccc2[N+](=O)[O-])cs1)c1ccc(F)cc1F 752873418 FLADUETYDNVWLF-DAXSKMNVSA-N 447.394 5.049 30 20 IKED CN(Cc1cccc(OC(F)(F)F)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 760010913 ZWLRIFQWCFCUKV-QFIPXVFZSA-N 439.437 5.905 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3c(Cl)ccc(Cl)c3Cl)c2)cc1 761340837 CMACFHIFKPUKOF-UHFFFAOYSA-N 445.733 6.544 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)c3sc(-c4ccco4)nc3-c3ccccc3)CCO2)c1 762313920 PUKDSLUBBVXWJZ-NRFANRHFSA-N 441.512 5.155 30 20 IKED N#C[C@@H](NC(=O)c1nc(Br)sc1C1CC1)c1cccc(Cl)c1Cl 764507647 QQCDVLDINWHWRK-SNVBAGLBSA-N 431.142 5.084 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)n2)cc1 766844197 PYFPSFLABXKBHR-ARFHVFGLSA-N 428.435 5.216 30 20 IKED COc1ccc2c(-c3ccccc3)c(C(=O)N[C@H](C#N)c3cccc(OC)c3OC)oc2c1 768151435 GEZNVXUTADINGO-HXUWFJFHSA-N 442.471 5.120 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(N2C(=O)N[C@H](C[C@H]3CCCc4ccccc43)C2=O)cc1 771906488 RNFLTVOESWMBFC-DNRSQYFGSA-N 435.527 5.277 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)ccc1NC(=O)OC(C)(C)C 772554192 MOVARSAYDSXXHF-HNNXBMFYSA-N 440.450 5.577 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)cc1 777304283 NVGFQRGQHDTTRB-IAQYHMDHSA-N 437.710 5.203 30 20 IKED N#CCOc1ccc(CN[C@@H](c2ccc(Br)cc2)c2ccccc2F)cc1 779092886 HETQTAUFVGPZCM-QFIPXVFZSA-N 425.301 5.370 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1c(Cl)cccc1Oc1ccccc1Cl 780158863 AFBIFNYHDZWPCW-CQSZACIVSA-N 427.287 6.329 30 20 IKED COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)Nc2ccccc2O[C@H](C)C#N)C1 780680114 DUPWXVNCNCDTFM-IAGOWNOFSA-N 427.932 5.126 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl 781766494 SRSLWDAQGYOGJK-GFCCVEGCSA-N 448.693 5.571 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(C(F)(F)F)c(F)c1 784252177 MNBVOUXULFWCPP-GFCCVEGCSA-N 440.418 5.034 30 20 IKED C#CCOc1cccc(COC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)c1 786946284 QHBBJSCLXPQWJQ-UHFFFAOYSA-N 445.302 5.122 30 20 IKED CC[C@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(SCc2csc(C)n2)cc1)c1ccccc1 787029771 APISHNQAQPSLPN-VXKWHMMOSA-N 449.601 5.334 30 20 IKED Cc1c(C(=O)[C@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cnn1C1CCCCC1 787049636 HWAAZRCYLFBJJE-UGSOOPFHSA-N 447.366 5.203 30 20 IKED CC(=NNc1cc(Cl)cc(Cl)c1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 790201656 IKBYRGIZUATCFS-UHFFFAOYSA-N 425.259 5.166 30 20 IKED Fc1c(F)c(F)c(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c(F)c1F 792930290 COBUFWMZBKIMBS-LJQANCHMSA-N 439.346 5.658 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 793469482 VOXMDGLDVZSZCN-INIZCTEOSA-N 425.554 5.989 30 20 IKED N#CC[C@H](CC(=O)OCc1ncc(-c2ccccc2Br)o1)c1ccccc1 795994950 YADUSZKQAYJMJW-MRXNPFEDSA-N 425.282 5.235 30 20 IKED CC1(C)CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 799386311 FMAWQXAVRXSWQF-UGBHYRCPSA-N 429.564 5.544 30 20 IKED CC(C)C(=O)c1ccc([C@H](C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 802045149 GONOYQLDTQCSHJ-SUMWQHHRSA-N 444.478 6.134 30 20 IKED Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)Nc2ccc(F)cc2OCC#N)cs1 813059129 VAARLGFBNVBSOE-UHFFFAOYSA-N 427.476 5.215 30 20 IKED C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 814577189 MEDMUBANBUSYRV-KBMIEXCESA-N 428.511 5.224 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(CC[C@H](C)F)C2=O)c1 814705251 XNAAHOAXIUZHOW-FXAWDEMLSA-N 427.545 5.012 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)COc1ccc(C2SCCCS2)cc1 914517210 HIDUTBLGAVFJSX-UHFFFAOYSA-N 440.634 5.491 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N(Cc1ccco1)c1ccccc1C#N 914521232 BHTLDUBORRFPDZ-UHFFFAOYSA-N 430.895 5.205 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 916905047 LJKDVIHFYIEAOR-QGZVFWFLSA-N 435.823 5.002 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)cc1 916914304 YAUYASOELFRHGF-HXUWFJFHSA-N 445.567 5.142 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccccc2)n1)C(=O)Nc1cc(Cl)cc(Cl)c1 916945001 PTOXLLHNYIVXAX-QGZVFWFLSA-N 430.316 5.007 30 20 IKED Cc1[nH]c2ccccc2c1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996710 OLZROPMLWRLRBU-QGZVFWFLSA-N 440.355 6.326 30 20 IKED Cc1cc(/C=C\C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c(C)n1C1CCCCC1 917039537 AIXKXSINNHBWKG-CBUFDYBVSA-N 436.506 6.245 30 20 IKED N#CCOc1ccccc1C(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 919980065 KVNCAVXHYMKALX-UHFFFAOYSA-N 443.503 5.699 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cccc(OCc2cccc(Cl)c2)c1 920110951 WZEUDODUUMXMLM-NRFANRHFSA-N 448.906 5.279 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)c(Cl)c3)n2)cc1 920142943 XRUFHWQCURLFJW-HNNXBMFYSA-N 428.300 5.244 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cccc(-n2nccc2-c2ccccc2)c1 920325396 ZHFGXDKLAVLCEA-JOCHJYFZSA-N 440.890 5.154 30 20 IKED CCCCCCOCc1cccc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)c1 920875122 USXXIRSGLGJCGX-UHFFFAOYSA-N 434.584 5.399 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4ccsc4)cc3)CCC2)c1 1788242428 BWCXCAXVEUKPPV-SFHVURJKSA-N 443.572 5.366 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)cc3OC)CCC2)cc1 1789455715 ADTQSUYWHAJNOU-JOCHJYFZSA-N 448.563 5.220 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(F)c(F)c4)cc3)CCC2)cc1 1790335777 IWSXGCLHCCUDPE-UHFFFAOYSA-N 445.469 5.092 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)cnc3OCC)CCC2)cc1 1791249298 PBGQNZPVMUTYHJ-MRXNPFEDSA-N 441.959 5.094 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc4ccoc4s3)CCC2)cc1)C(F)(F)F 1791303462 YTJIENRMPWQZER-UHFFFAOYSA-N 434.439 5.361 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCc5ccccc54)cc3)CCC2)cc1 1791692983 HXXMGLAUOFNAEL-AREMUKBSSA-N 449.554 5.230 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc(F)c3F)CCC2)cc1 1791730208 QRRRRUZTXRGWDT-UHFFFAOYSA-N 428.454 5.045 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(F)c2Cl)n[nH]1 1821121497 ZFRJWUCTXRUPFZ-DNVCBOLYSA-N 444.938 5.277 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(C)CCCC3)CC2)c1 1823849112 VKFPMOWEKMMZFT-RDPSFJRHSA-N 435.612 5.127 30 20 IKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@H](CCC)CC2)CC1 1824500016 BRABBPXWGFGKDU-HVCNVCAESA-N 446.676 5.195 30 20 IKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](S)C(C)C)CC1 1825947689 TWISZUPUAWNHBC-IFMALSPDSA-N 448.673 5.073 30 20 IKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2oc3ccccc3c2C)CC1 1828129654 VGOICPHEKYDIBC-HSZRJFAPSA-N 434.580 5.168 30 20 IKED CC(C)=CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829689404 DARCBLRETQTXRT-JOCHJYFZSA-N 442.003 5.191 30 20 IKED CCc1cccc(C)c1NC(=O)COC(=O)c1ccccc1SCc1ccc(C#N)cc1 9073170 YLZKOCQPKVRDML-UHFFFAOYSA-N 444.556 5.517 30 20 IKED N#CCCN(C(=O)CSc1ncc(C(F)(F)F)cc1Cl)c1cccc(Cl)c1 9160481 RPUGUCPFANUPTF-UHFFFAOYSA-N 434.270 5.446 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccccc2CC)cc1 10173491 CAXCWUSCWGBXBE-UHFFFAOYSA-O 425.524 5.428 30 20 IKED C=CCn1c(SCc2cc(=O)oc3c(C)c(C)ccc23)nnc1-c1ccccc1OC 21456219 NDLDIZAWZRQSQA-UHFFFAOYSA-N 433.533 5.155 30 20 IKED C=CCn1c(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)nnc1-c1ccco1 29547957 FMUGLIUXMLDEQM-HSZRJFAPSA-N 440.528 5.922 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCC1(c2ccc(F)cc2)CCOCC1 60017782 RXVHOLLNHMNXRN-UHFFFAOYSA-N 446.547 5.327 30 20 IKED CC1CCN(Cc2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)cc2)CC1 108158927 BQEZVZJPVKQMEP-UHFFFAOYSA-N 429.520 5.214 30 20 IKED CCCS(=O)(=O)Nc1cccc(/N=C(O)/C=C\c2ccccc2OC(F)(F)F)c1C 207673640 DLSWWHKWNMVTDI-QXMHVHEDSA-N 442.459 5.347 30 20 IKED N#Cc1c(NC(=O)c2cc(Br)ccc2Br)sc2c1CCCC2 319370352 YTHVTTSRIZUOHX-UHFFFAOYSA-N 440.160 5.276 30 20 IKED Cc1cc(-c2csc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)n2)c(F)cc1F 428641188 IPEATWDRMFDXPR-UHFFFAOYSA-N 449.486 5.426 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)s1 430627160 SWXUQLKLLUVARF-LJQANCHMSA-N 446.601 5.871 30 20 IKED O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CC[C@@H](C(F)(F)F)c2ccccc21 432281279 CXCIWJCANLJKFC-GFCCVEGCSA-N 427.341 5.089 30 20 IKED O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 432486803 YNLPQUHJHYRFMX-LBPRGKRZSA-N 436.318 5.249 30 20 IKED COC(=O)[C@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)[C@H]1C(C)C 432677201 JHGFPQZBYRTKSK-VWPQPMDRSA-N 439.943 5.047 30 20 IKED CCOc1cccc2[nH]cc(CC(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)c12 437847207 BBUXAFFDABDYET-XMMPIXPASA-N 439.515 5.069 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 437872033 NGUUCPIQGSWWGM-ZEQRLZLVSA-N 442.494 5.382 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)c(C)c1 438829123 JIGLQNMFIZFRMV-MRXNPFEDSA-N 425.554 5.122 30 20 IKED CC(=O)Nc1ccc(F)c(C(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1 444430925 KKGBAGUBXRIDQK-MRXNPFEDSA-N 436.327 5.226 30 20 IKED COc1cc(CNC(=O)N[C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)ccc1C#N 460251845 ORRABSDRMQTILC-AWEZNQCLSA-N 440.956 5.213 30 20 IKED C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 460953237 SVADRFHEICQKLS-ZQHDKMAOSA-N 443.016 5.033 30 20 IKED C[C@H](C(=O)Nc1c(-c2ccccc2)nc2ccc(Br)cn12)c1cccc(C#N)c1 464467133 JNZMWPCBWUZZKT-HNNXBMFYSA-N 445.320 5.378 30 20 IKED COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 466045167 DBWJCELLSCIHIY-BDYUSTAISA-N 441.531 5.192 30 20 IKED O=C([C@H]1CCCC[C@H]1C(F)(F)F)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 466502579 JHGTWQDCDVCTJM-UONOGXRCSA-N 425.388 5.861 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3Cn3cccn3)cc2Cl)cc1 467983333 YNMWOVFWMBEVIY-UHFFFAOYSA-N 428.879 5.501 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CN[C@H](c1ccccc1)C(F)(F)F 468060005 OHUKIWUBKHLZGR-HSZRJFAPSA-N 439.437 5.491 30 20 IKED C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(-c2ccccc2F)s1 469030726 NBECLAHYDFANQH-KRWDZBQOSA-N 433.552 6.310 30 20 IKED Cc1cc(N(CCC#N)C(=O)CNc2ccccc2S[C@@H](C)CC#N)ccc1Cl 470536759 GHQZMCMLVWPDEY-KRWDZBQOSA-N 426.973 5.401 30 20 IKED Cc1cc(NC(=O)c2cc(C(F)(F)F)ccc2F)n(-c2ccc(C(F)(F)F)cn2)n1 471590951 PGNMROAZCWSXHQ-UHFFFAOYSA-N 432.299 5.005 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)c1c[nH]c2c(Cl)cc(Br)cc2c1=O 473833507 XLJCJSFMQGKTRI-UHFFFAOYSA-N 445.744 5.163 30 20 IKED C=C(C)[C@H](NC(=O)N[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C)c1ccc(F)c(F)c1 477217584 XRNOMKXFIDEXKL-VOJFVSQTSA-N 430.421 5.018 30 20 IKED CS(=O)(=O)c1cccc([C@H](NCc2ccc(Cl)cc2C#N)c2ccc(Cl)cc2)c1 478361258 LTEDCFSLXAHONF-JOCHJYFZSA-N 445.371 5.148 30 20 IKED C=C(C)[C@H](NC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1)c1ccc(F)c(F)c1 478922749 YASXAAPASDOBEX-QHCPKHFHSA-N 438.449 5.712 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 480202652 SRVGTMSKRWKHTI-UHFFFAOYSA-N 431.989 5.638 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@H](C)c2ccc3ccccc3c2)nnc1-c1ccncc1 481363166 YBAPDXRPZKYDBQ-GOSISDBHSA-N 443.576 5.039 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3cncnc3)cc2F)cc1Cl 481367949 DUWSCBRBFMGZCU-JOCHJYFZSA-N 442.881 5.844 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ccc(Br)cc2)s1)c1cnc2ccccc2n1 483189695 CBNODHHFOQIXIE-HNNXBMFYSA-N 434.318 5.611 30 20 IKED CCc1c(C(=O)[C@H](C#N)c2nccc3ccccc23)cnn1-c1ccc(Br)cc1 483190963 DICUZXYEKLAKQM-LJQANCHMSA-N 445.320 5.235 30 20 IKED O=C(N[C@H]1CCCC(F)(F)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 489022296 WWQOKBIIVKONLP-PMUJDMTCSA-N 447.410 5.803 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](COc1ccccc1F)C(C)(C)C 490254022 XDCKHYJSPAGPRA-IIBYNOLFSA-N 429.561 5.835 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1 497943666 HUVWFSBXMIUDLL-KRWDZBQOSA-N 446.513 5.640 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccnc(Oc2cccc(C)c2C)c1 498367757 PUKIPLHHHGBAQM-UHFFFAOYSA-N 447.583 5.556 30 20 IKED Cc1cc(SC2CCCCC2)ccc1NCC(=O)Nc1ccccc1SCC#N 498651075 DRPDIGKKDZOUOB-UHFFFAOYSA-N 425.623 6.086 30 20 IKED CC(C)(C)c1nc(CCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cs1 499328649 GVTSFQNHBRWZCY-UHFFFAOYSA-N 448.592 5.450 30 20 IKED N#Cc1cn(CC(=O)N(C2CCCCC2)C2CCCCC2)c2ccc(Cl)cc2c1=O 502868451 SQTOGZMFBIXDMG-UHFFFAOYSA-N 425.960 5.021 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3SC[C@@H](C)C#N)s2)c(F)c1 503356975 UDFHMDRCVHNVPU-ZDUSSCGKSA-N 441.553 5.770 30 20 IKED CCCN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H](C)CC(=O)Nc1ccccc1 505298842 UFTYBMVBAGTOGE-OALUTQOASA-N 438.597 5.600 30 20 IKED N#C[C@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1cccc(Cl)c1Cl 505314231 MDQFRWQNOFCISL-HNNXBMFYSA-N 435.698 5.010 30 20 IKED COc1ccc(Br)cc1-c1nc(CN(C)Cc2ccc(C#N)cc2)cs1 506123067 PPKGBSMUJQQYAF-UHFFFAOYSA-N 428.355 5.085 30 20 IKED Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)C2)cc1 507904156 IUQUAFQOWVABDD-QFIPXVFZSA-N 439.515 5.150 30 20 IKED COc1ccc([C@@H](C)N(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 511420667 LFKNDFGXONFKPH-LJQANCHMSA-N 429.520 5.565 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1Cl 513046655 MUNBITDPZOEJRB-NVQXNPDNSA-N 447.966 5.283 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@@](CO)(c3ccccc3)C2)c1 513098439 GVPFMWUBHCBKOW-AREMUKBSSA-N 446.934 5.170 30 20 IKED COc1c(C)cc(CN(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1C 513986671 CISGORJUPBRABJ-UHFFFAOYSA-N 442.519 5.100 30 20 IKED Cc1noc(C)c1COc1ccc(CC(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1 515699036 BJMKHQZWLXMPTH-UHFFFAOYSA-N 443.528 5.652 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)Cc1ccc(Br)cc1 517529555 GZDGWBLEYJWOGI-CABCVRRESA-N 432.387 5.596 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1OCC(C)C 517800722 DQGFPWHRCZMCPX-LJQANCHMSA-N 431.517 5.215 30 20 IKED Cc1cccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1I 518240382 XGMJFZNKKKDVBP-ZDUSSCGKSA-N 436.318 5.246 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N(Cc3ccc(Cl)cc3)C3CC3)cc2)cc1 519081901 BJJSOVFDSPSBIE-UHFFFAOYSA-N 445.906 5.134 30 20 IKED COCCN(C(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](C)c1cccc(C(F)(F)F)c1 520170145 CPAYMJKWZSQLIE-ZDUSSCGKSA-N 425.838 5.472 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 520826378 QDYNTSOMANAGJK-MRXNPFEDSA-N 431.492 5.994 30 20 IKED Cc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1C 521280692 CLHSRIFRESAGHB-HHHXNRCGSA-N 439.559 6.318 30 20 IKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc4nc(C(F)F)[nH]c4c3)c2C#N)C1 521622458 ROVCSAIEVJTZNL-LBPRGKRZSA-N 428.508 5.837 30 20 IKED CC[C@@H](C)n1c(SCC(=O)N(Cc2ccc(C#N)cc2)C(C)C)nnc1-c1ccccc1 522219752 YITGJTIVGCENEJ-LJQANCHMSA-N 447.608 5.317 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 523502266 QIAVFQYXLDTOMP-AWEZNQCLSA-N 447.457 5.045 30 20 IKED N#Cc1ccc(CC(=O)Nc2nc3ccccc3n2Cc2cccc(C(F)(F)F)c2)cc1 524392344 CKWUPHGWYCGMEF-UHFFFAOYSA-N 434.421 5.156 30 20 IKED CC(C)(C)c1cc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c(C#N)s1 533807367 JJGCHVFHKHQVGN-HNNXBMFYSA-N 429.973 5.062 30 20 IKED C=C[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1I)c1ccccc1 534685715 DGSTZGZDKAECIC-OXJNMPFZSA-N 431.317 5.315 30 20 IKED COc1ccc(-n2c(SCCCC3(C#N)CCOCC3)nnc2-c2ccccc2)cc1 538612043 QIPRZHSCLMOIHZ-UHFFFAOYSA-N 434.565 5.136 30 20 IKED CCCNC(=O)c1ccc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)cc1Cl 539125081 HJURDZVDMTXPLR-UHFFFAOYSA-N 446.938 5.340 30 20 IKED Cc1cc(C(=O)Nc2cc(C#N)ccc2OC(F)F)nn1-c1ccc(Cl)c(Cl)c1 539615439 LCVBULLAAFWAJL-UHFFFAOYSA-N 437.233 5.213 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCO[C@@H](C3CCCCC3)C2)cc1 542633486 CNZXCRLJEAIQLO-RUZDIDTESA-N 433.552 5.145 30 20 IKED COc1cc(OC)c(NC(=O)CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1Cl 543871398 VEFUPPKFWZALBV-MRXNPFEDSA-N 449.938 5.185 30 20 IKED C[C@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc([N+](=O)[O-])cc1F 544435387 HMUKJRFHXAJURB-INIZCTEOSA-N 433.439 5.121 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CCOc4ccc(F)cc43)cc2F)c1 548736190 MQRYUWITGOMQBX-OAQYLSRUSA-N 435.430 5.061 30 20 IKED N#Cc1ccc(N2CCC(C(=O)NC3(c4cccc(C(F)(F)F)c4)CCC3)CC2)c(F)c1 552048039 FLAPRDIKJVPZJF-UHFFFAOYSA-N 445.460 5.128 30 20 IKED C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@H](C)c1ccccc1C(F)(F)F 552135837 JIQVMWFKEODGIJ-JKSUJKDBSA-N 447.476 5.241 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(F)(c3cccnc3)CC2)cc1 552692252 MUBQCVXQHSXWGF-UHFFFAOYSA-N 431.536 5.347 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 554007171 VAHCNFZABVVTCH-UHFFFAOYSA-N 440.830 5.219 30 20 IKED CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 554871273 RQJOGABPAHUGAB-GOSISDBHSA-N 439.515 5.391 30 20 IKED CN(C(=O)c1csc(C(F)(F)F)n1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 560090670 MXCPBUXRACJTFE-JTQLQIEISA-N 436.299 5.556 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N(Cc3ccccc3)c3ccccc3C#N)cc2)nc1 561839069 KGZLGWAKFJYDPC-UHFFFAOYSA-N 430.467 5.464 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3c4ccccc4CC34CCOCC4)cc2)cc1 579533167 KRNWWDIAGAQKQR-RUZDIDTESA-N 439.515 5.566 30 20 IKED CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)C(=O)N[C@H](C)c1cccc(C#N)c1 587719502 RPCYVTNLEHVSPK-QGZVFWFLSA-N 449.551 5.040 30 20 IKED C[C@H](NC(=O)Cc1noc(C[C@H](CC#N)c2ccccc2)n1)c1ccc(Cl)cc1Cl 589151328 ITSOHLIDPPFGOC-HOCLYGCPSA-N 443.334 5.036 30 20 IKED C=CCN(Cc1cccs1)C(=O)N[C@H]1c2cc(Br)ccc2SC[C@@H]1C 591420326 RSDBEDJJJTYIOL-SCLBCKFNSA-N 437.428 5.691 30 20 IKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1nc2cc(F)ccc2s1 592974636 VZBYHUZYHNYIEP-SFHVURJKSA-N 433.439 5.317 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc2cc(F)ccc2c1Cl 603600904 LWEWLUVHJOFTRE-UHFFFAOYSA-N 437.883 6.314 30 20 IKED N#C[C@@H](C(=O)c1ccc(OCc2cccnc2)cc1)c1nc(-c2c(F)cccc2F)cs1 603627420 JTEHLRDGHNVGBG-SFHVURJKSA-N 447.466 5.552 30 20 IKED COc1ccc(CSc2nc(C)cc(C(F)(F)F)c2C#N)c(Br)c1OC 603947591 KRKKQKSOLYHYCQ-UHFFFAOYSA-N 447.276 5.353 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2cc(-c3cccc(C(F)(F)F)c3)nc3onc(C)c23)n1 606753731 MSZOAWRGJZVITB-HNNXBMFYSA-N 442.422 5.472 30 20 IKED COc1nc(C)cc(C)c1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 608994647 PMJMCPXEHLZAIJ-FQEVSTJZSA-N 434.927 5.338 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 609175754 AMNJKSHVQLRKPV-UHFFFAOYSA-N 440.286 5.026 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(N2c3ccccc3C[C@H]2C)CC1 609401996 QTULSCKYFTZSMN-RTBURBONSA-N 434.609 5.386 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 609431723 HISXGPXNJXHUKJ-HJPURHCSSA-N 439.581 5.599 30 20 IKED C=CCN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc2c(s1)CCCC2 609496994 TVGFOEHUKHMWRG-UHFFFAOYSA-N 429.545 5.713 30 20 IKED Cc1sc(CNCc2cn(CCC#N)nc2-c2ccccc2)nc1-c1ccc(Cl)cc1 609599637 GJOSGMTXQWOQBP-UHFFFAOYSA-N 447.995 5.839 30 20 IKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 609987855 KSAVLSGQJHRZOH-JYFHCDHNSA-N 425.532 5.542 30 20 IKED Cc1cccc(CN(Cc2ccccn2)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1 610660981 SPTKJYIUMIUELE-UHFFFAOYSA-N 449.514 5.683 30 20 IKED COc1ccccc1[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccco1 610875548 MVRPGFYPXHULNH-XMMPIXPASA-N 440.459 5.258 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(Cl)cn3)cc2Cl)c1 611431812 BPKUKMGONJMQGT-UHFFFAOYSA-N 427.291 5.161 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC[C@H]1c1cccc(F)c1 615683146 NLKYCWBJQPFFJU-XNISGKROSA-N 426.376 5.582 30 20 IKED O=[N+]([O-])c1ccc(N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)nc1-c1ccc(F)cc1 619527158 NZQDIJMISUZOMT-TXEJJXNPSA-N 437.315 5.363 30 20 IKED C[C@@H](NC(=O)NCc1ccc(C#N)c(Cl)c1)c1cccc(NC(=O)c2ccccc2)c1 619767615 BBPVPJYPBJZBIB-MRXNPFEDSA-N 432.911 5.024 30 20 IKED Cc1cc([C@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)nc(C)n1 642282780 YHDDHSUZOCFHPI-SFHVURJKSA-N 435.940 5.005 30 20 IKED Cc1ccnc2sc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c(C)c12 683806125 DFMJXWGYJSHBLT-LBPRGKRZSA-N 431.464 6.032 30 20 IKED N#C[C@H](C(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1nc2cc(Cl)ccc2s1 726322941 RZBUJFNBDLOQSJ-CQSZACIVSA-N 448.891 5.555 30 20 IKED N#Cc1ccc(N2CCC(NC(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2)nc1 727586982 VFMAHGKRPTVTLS-UHFFFAOYSA-N 425.496 5.159 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(Cl)c2c(c1)OCCO2 727997019 PXQYDXXBRGKSGY-UHFFFAOYSA-N 434.879 5.123 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@H](c3ccccc3)C(F)(F)F)n2)cc1 728770924 ZBFNSIYQZYAKFP-QZTJIDSGSA-N 430.451 5.731 30 20 IKED CN(C[C@@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1)C(=O)OC(C)(C)C 729552327 DIPLPPFNSTWNSF-CVDCTZTESA-N 448.567 5.063 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)NCc2cccc(C#N)c2)c(C(F)(F)F)c1 729573518 YSIHXUQIQNMXRL-UHFFFAOYSA-N 434.418 5.246 30 20 IKED Cn1c([C@@H](C#N)C(=O)[C@H](Sc2ccccc2Cl)c2ccccc2)nc2ccccc21 730072778 YKXHCVQPAFIJBZ-GAJHUEQPSA-N 431.948 5.937 30 20 IKED N#Cc1c(NC(=O)COC(=O)c2sccc2SC(F)F)sc2c1CCCCC2 730660774 KWRGCMZMSKKERG-UHFFFAOYSA-N 442.534 5.060 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)cc1Cl 730686545 HGROKSYHCWCMSR-IAQYHMDHSA-N 439.726 5.182 30 20 IKED N#CCOc1ccc(Cl)cc1Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O 735231923 DRPXPIXVYAPXHL-UHFFFAOYSA-N 442.327 5.382 30 20 IKED Cc1c(C#N)c(NC(=O)CSC2=Nc3ccccc3C2)n(Cc2ccc(F)cc2)c1C 735794014 CDPYNADZNHVICE-UHFFFAOYSA-N 432.524 5.122 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 739155737 UNAISCAZDDWJOJ-YWZLYKJASA-N 430.470 5.356 30 20 IKED COc1ccc(OCc2ccccn2)c(CNCc2cccc(-c3ccc(C#N)s3)c2)c1 740010549 FCSMGOCUFPZEPN-UHFFFAOYSA-N 441.556 5.559 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H](c3ccccc3)c3nccs3)c2)s1 740060169 PTCLRQBDVJXTPG-NRFANRHFSA-N 430.558 5.332 30 20 IKED CCC(CC)(CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 743986759 SNUFQDDSAGWAAP-VWLOTQADSA-N 439.559 5.155 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3cccc(Br)c3)n2)cc1 744034180 CGYHNRKVGXVPCJ-KBXCAEBGSA-N 441.350 5.525 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cccc(C(F)(F)F)c2)c1 744761968 RWCCFRNJMLXLNX-UHFFFAOYSA-N 434.487 5.479 30 20 IKED CCCN(C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H]1CCc2ccccc21 747001150 JEYHNKNDMYYHME-CLJLJLNGSA-N 437.543 5.207 30 20 IKED CCOCc1cc(/C=C/C(=O)c2cc3ccc(N(CC)CC)cc3oc2=O)ccc1OC 747613275 VXGJRPCZSDTEMX-XYOKQWHBSA-N 435.520 5.080 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cnc(-c3ccccc3Cl)s2)cc1Cl 748004272 VOHRTEGAPILNIU-CYBMUJFWSA-N 446.315 5.087 30 20 IKED C[C@@H](CC(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(F)cc1F 751861155 HZONJWHNBMPGDI-LSDHHAIUSA-N 432.492 5.035 30 20 IKED C=CC[C@H](NC(=O)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1)c1ccncc1 753637511 LYDPMHPOPMZQEV-KNQAVFIVSA-N 437.588 5.184 30 20 IKED C=CC[C@H](N[C@H](C)c1cc(Br)cc(Br)c1O)c1ccncc1 756582946 LTWVONYDJGLHMO-BZNIZROVSA-N 426.152 5.280 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(C(=O)Nc2ccccc2)cc1 759214627 ZQCYBQKDUOXDRA-HSZRJFAPSA-N 433.467 5.053 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)Nc3ccc(F)cc3OCC#N)cc12 760796374 XJJUYKBXCZSZNP-UHFFFAOYSA-N 440.887 5.343 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12)c1cccc(C(=O)c2ccccc2)c1 762024385 JFIHIUPTCCDQQX-KBMIEXCESA-N 446.506 5.522 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1sc(-c2ccccc2)nc1C(F)F 762026165 PPZWNOORAREMPX-CQSZACIVSA-N 431.851 5.362 30 20 IKED CC(C)[C@H](NC(=O)OC(C)(C)C)c1noc(-c2ccc(Oc3ccc(C#N)cn3)cc2)n1 762037956 WEXZKBRNNWZEDL-IBGZPJMESA-N 435.484 5.017 30 20 IKED N#Cc1ccc([C@@H](O)CS(=O)(=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 763241734 QCYCGBFMFBYWIX-NRFANRHFSA-N 446.355 5.103 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 764377558 XMWZKODVJDMGET-IBGZPJMESA-N 448.567 5.042 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SC[C@H](O)c1ccccc1C(F)(F)F 764683338 SXYVHLGCOWXYJT-IBGZPJMESA-N 449.498 5.196 30 20 IKED COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)Nc1ccc(C#N)cc1Cl 769731961 VWSFFDRNWJLWSW-UHFFFAOYSA-N 436.295 5.473 30 20 IKED Cc1cc(C)cc([C@@H]2NC(=O)N(c3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2=O)c1 771814971 CBWZMYBVGJNVOK-GMAHTHKFSA-N 429.907 5.410 30 20 IKED C=CC[C@H](NC(=O)N(Cc1ccc(OC)c(OC)c1)[C@@H]1CCCC[C@@H]1C)c1ccncc1 772497952 XCWVPXGIMRYFKP-AJSBUHFISA-N 437.584 5.507 30 20 IKED COc1ccc(C(=O)CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(Cl)c1 779877349 MOHZZRVNHOBUBJ-JOCHJYFZSA-N 432.907 5.606 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SC[C@@H](O)c3ccc(C#N)cc3)n2)o1 783656377 NTUIZLQKPRPXRL-GOSISDBHSA-N 429.423 5.238 30 20 IKED C#CCOc1cccc(NC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)c1 786922611 LFMWUFWPSJFBDY-UHFFFAOYSA-N 430.291 5.017 30 20 IKED COc1ccccc1[C@H](C)CC(=O)[C@@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 787054813 WXNYKAPQTNTPDD-HBUWYVDXSA-N 433.335 5.082 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 789889912 ORIYMIKNTXLRGX-WMZHIEFXSA-N 436.596 6.379 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)c1ccn(CC(F)F)n1 789962459 UWKGGPISLDHXMU-UHFFFAOYSA-N 433.324 5.074 30 20 IKED O=C(C[C@H]1SC(=Nc2ccsc2)N(Cc2ccccc2)C1=O)Nc1ccccc1F 790748661 PBPVJURFEDDRTB-LJQANCHMSA-N 439.537 5.048 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@@H](CC)Cc1ccc(C(F)(F)F)cc1 793126518 TUJUTYQTQGXAMS-FUHWJXTLSA-N 432.442 5.020 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)s1 797571489 RZUPXBNDBCMRPF-UXHICEINSA-N 431.561 5.178 30 20 IKED CC1(c2ccc(Br)cc2)CCN(C(=O)c2ccccc2SCC#N)CC1 799735715 HMXFBHQYFIATFQ-UHFFFAOYSA-N 429.383 5.259 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 806451664 KENVWIWFDFPPAL-AREMUKBSSA-N 441.616 5.793 30 20 IKED C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 809888292 SSFBVPKNTFBFJC-WIYYLYMNSA-N 428.367 5.008 30 20 IKED N#C[C@H](C(=O)COc1ccc(-c2ccccc2)cc1Cl)c1cc(C(F)(F)F)ccn1 813215803 BURNTOXGYUHFPJ-KRWDZBQOSA-N 430.813 5.676 30 20 IKED CC(C)n1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(C2CCOCC2)n1 856654367 VSERBEIWLMBNRQ-UHFFFAOYSA-N 448.498 5.413 30 20 IKED CC(C)c1ccc(-c2nc(C(=O)OCC(=O)N(CCC#N)c3ccccc3)cs2)cc1 900221945 AZRIEKQZWMNVHW-UHFFFAOYSA-N 433.533 5.037 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nc2ccccc2n1C(F)F 915353473 NSIVDMZDZYQVAB-UZLBHIALSA-N 445.473 5.970 30 20 IKED CCc1cccc(CC)c1NC(=S)Nc1cccc(COc2ccc(CC#N)cc2)c1 916025634 HVXVTGYNDYKTNK-UHFFFAOYSA-N 429.589 6.265 30 20 IKED CCc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(C)nc3ccccc3c2=O)cc1 916293217 DHMHFGBMTUJVND-UHFFFAOYSA-N 433.515 5.002 30 20 IKED CC(C)c1cccc(O[C@@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1 916887904 OWLFUHPDBNQENF-LIRRHRJNSA-N 432.492 5.240 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc2cc(Cl)ccc2c1Cl 916904123 WXXUYBVBZOAMQL-INIZCTEOSA-N 445.371 6.294 30 20 IKED N#C[C@@H](C(=O)Cc1coc2ccc3ccccc3c12)C(=O)Nc1cc(Cl)cc(Cl)c1 916944756 MCLHMEBPKSCRRE-IBGZPJMESA-N 437.282 5.783 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(-c3ccccc3)s2)cs1 917559307 HKLYTTWYTXQQPR-FMIVXFBMSA-N 448.544 6.591 30 20 IKED CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 918052873 XZIODYQHGARQSE-OAQYLSRUSA-N 437.931 5.437 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2)C[C@H]2CCCO2)cc1 919773436 JZZADWNARVWHJC-FTJBHMTQSA-N 425.532 5.555 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)OC[C@@H](C#N)Cc1ccc(F)cc1 920876616 NSSDUSOPZJFGOJ-MRXNPFEDSA-N 440.471 5.126 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cccc5nc(C)sc45)cc3)CCC2)C1 1788943882 GIWLSWZWINPLKP-UHFFFAOYSA-N 431.561 5.319 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(Cl)c3)cc2)CCC1 1790611894 MOSUTWZMJKRZET-UHFFFAOYSA-N 438.955 5.288 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3c(C)cccc3Cl)CC2)C1 1805457590 HWKXEOIOUSEWKW-UHFFFAOYSA-N 429.004 5.262 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)Cc3c[nH]c4ccc(C)cc34)C2)CC1 1806890905 IGDFIRWRLMCKHA-HSZRJFAPSA-N 447.623 5.018 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cc4ccoc4s3)C2)CC1 1810502805 YKPSJVGBDHVKFU-UHFFFAOYSA-N 428.598 5.332 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3[nH]ccc3s2)[nH]n1 1819307580 WQPYBUFDTKDJKZ-QAPCUYQASA-N 437.569 5.027 30 20 IKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4ccccc34)[nH]n2)c1 1820485380 JKVXVSJZEDQCIO-DEOSSOPVSA-N 449.514 5.054 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3[nH]c(C)cc3c2)n[nH]1 1821582492 SUYOWYJQSRAMNX-JOCHJYFZSA-N 447.583 5.498 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3cccnc23)CC1 1828035007 QPXAICINVQGDLL-XMMPIXPASA-N 447.623 5.461 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCn2cccc2)CC1 1828826805 MLSYZQWWGKEMGX-DQEYMECFSA-N 439.644 5.047 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCc2cccnc2)CC1 1829070387 IAVNRGLNDYSZKW-DEOSSOPVSA-N 439.644 5.016 30 20 IKED C=CCn1c(SCC(=O)N(C)C2CCCCC2)nnc1-c1ccc(Cl)cc1Cl 9826275 LDUUVHXDRCQAJO-UHFFFAOYSA-N 439.412 5.321 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2cccc(C)c2)cc1 10173884 QOBBOKLPCGXZOC-UHFFFAOYSA-O 427.496 5.010 30 20 IKED C=CCn1c(SCC(=O)N[C@H](CC(C)C)c2ccccc2)nnc1-c1ccc(F)cc1 10498106 MLTHHUQWQSEAJN-OAQYLSRUSA-N 438.572 5.266 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1 18064909 DSTYRFMYVXZFAZ-HAVVHWLPSA-N 428.488 5.625 30 20 IKED CCc1ccc([C@@H](NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C(C)C)cc1 32927369 QTPGHTGPOQLFPE-QHCPKHFHSA-N 446.551 5.099 30 20 IKED C=CCn1c(SCc2csc(C(C)C)n2)nnc1-c1ccc(Br)cc1 36844533 DLEAHINTVDCNGH-UHFFFAOYSA-N 435.416 5.766 30 20 IKED COc1ccc(-c2nc(NC(=O)c3ccc(COc4ccccc4C#N)o3)sc2C)cc1 59367977 DALOFJZEHCRSSH-UHFFFAOYSA-N 445.500 5.423 30 20 IKED Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 60722077 UIFZTKVRZSDRPS-XMMPIXPASA-N 448.998 6.036 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N(Cc2ccco2)Cc2cccs2)c1 72022853 JCPACDBAUVKNSM-UHFFFAOYSA-N 428.513 5.634 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2c(C(C)C)noc2n1 195690071 JHFFJMRSFUBALE-MRXNPFEDSA-N 436.924 5.922 30 20 IKED N#Cc1c(Cl)nsc1Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 301931656 OIKQEJHDLTZDGV-UHFFFAOYSA-N 434.333 5.373 30 20 IKED N#Cc1cc(Nc2cccc(C[S@@](=O)c3ccccc3)c2)nc2ccc([N+](=O)[O-])cc12 302686426 TZBZCYYOVLIRSH-WJOKGBTCSA-N 428.473 5.066 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCO[C@@]4(CCSC4)C3)cc2Cl)cc1 426078595 JRVMCJXOBUPILN-JTSKRJEESA-N 443.956 5.180 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](c2ccco2)c2ccccc2OC)cc1 426110552 GMAXSJYPWOXIDF-XMMPIXPASA-N 445.519 5.014 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](CO)Cc1cccc(Br)c1 429626467 XUVMVKWYZNILLY-GOSISDBHSA-N 445.401 5.274 30 20 IKED COc1ccc(C[C@@H](NC(=O)c2cccc(SCC#N)c2)c2ccc(OC)cc2)cc1 429943889 MHLMDNSKBBTGBO-XMMPIXPASA-N 432.545 5.033 30 20 IKED CCn1ccnc1[C@H]1CCCCN1C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 436005402 XCQJJXLTCLNVAX-HXUWFJFHSA-N 434.927 5.588 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c[nH]nc1-c1cc2ccccc2o1 436100846 IMRPBMVVRLWDIZ-UHFFFAOYSA-N 435.443 5.443 30 20 IKED N#CCCCn1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c2ccccc21 447520197 ABOHALFFDKEBLV-INIZCTEOSA-N 446.482 5.837 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(c3nc4cc(C(F)(F)F)ccc4s3)CC2)c1 462806907 ZBCLQWUVZYFHEA-UHFFFAOYSA-N 430.455 5.042 30 20 IKED CC(C)(C)c1cc(NC(=O)c2c(Cl)cccc2I)c(C#N)s1 464400361 URUYMGCKSXNQHN-UHFFFAOYSA-N 444.725 5.428 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)cc1 464961091 PULJXYFAEVQCDL-JGCGQSQUSA-N 446.572 5.959 30 20 IKED COc1ccc(C2CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)CC2)cc1 465369908 IAZOUGJQPPTROW-UHFFFAOYSA-N 426.516 5.573 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccccc2)c2nc[nH]n2)cc1Cl 467160872 MNMRFVNUINVVAE-RBBKRZOGSA-N 442.910 5.025 30 20 IKED N#C[C@@H]1N(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)CCC[C@@]12CCCCO2 468138317 MILFJEKTFZWTJL-PXNSSMCTSA-N 436.364 5.184 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Sc2ccccc2Cl)nn1 468641420 LJYRHICGUOSMPT-UHFFFAOYSA-N 436.968 5.451 30 20 IKED Cc1ccc(Cn2nc(C)c(CNc3ccc4c(c3)CCC(=O)N4CCCC#N)c2C)cc1 468848870 DWDOQTSSRSNMGE-UHFFFAOYSA-N 441.579 5.052 30 20 IKED COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)Nc1ccccc1SC[C@H](C)C#N 470364241 SJGURAYTQONHJU-HUUCEWRRSA-N 433.961 5.649 30 20 IKED C=C[C@H](CC(=O)N1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1)c1ccccc1 470387921 GSXUUENDVUQNCH-CTNGQTDRSA-N 432.589 5.885 30 20 IKED Cc1csc(C(=O)Nc2sc3c(c2C#N)CCCCC3)c1I 471069913 RDYGFGBHGXACIJ-UHFFFAOYSA-N 442.347 5.116 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1 471328172 LANVCOPPCOAYLA-JOCHJYFZSA-N 446.517 5.509 30 20 IKED C[C@H](Nc1ccc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc1Cl)c1ccccc1 472026925 JYUCCSUFPQMZKU-UWJYYQICSA-N 428.923 5.706 30 20 IKED CCc1ccc(-c2noc([C@@H](C)NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)n2)cc1 472444298 ABCAVJFFJUELFL-GOSISDBHSA-N 431.540 5.099 30 20 IKED COCCOc1cccc(CCC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1 475359756 YIEYAXSZZPXTGO-UHFFFAOYSA-N 446.522 5.197 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)c1noc(-c2ccccc2)n1 477433203 IZTFONOCGOZIOE-OAHLLOKOSA-N 437.500 5.086 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(O)(Cc4ccc(F)cc4)CC3)cc2)c1 480590133 XEZBDHYSERVBJW-UHFFFAOYSA-N 445.494 5.091 30 20 IKED C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1c(F)cccc1F 481576450 USUVWIHLWSRSQD-CQSZACIVSA-N 425.410 5.437 30 20 IKED CCCN(C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@H]1CCc2ccccc21 484820915 CTGMQKCNLKDKIH-DEOSSOPVSA-N 439.515 5.215 30 20 IKED CC(C)(C#N)c1ccccc1CNc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 486442417 CRCPIYRGVBBMGN-UHFFFAOYSA-N 427.426 5.964 30 20 IKED C=C[C@@H]1CCCCN1C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 488868492 JWXKXUYVHKIDGT-LRXXLLMYSA-N 433.533 5.702 30 20 IKED C=CCC[C@@H](C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1ccccc1 489022978 YGVZFDMAZWXADX-RUZDIDTESA-N 433.573 5.490 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 502316672 DLNDXUAMTMNORQ-QGZVFWFLSA-N 446.551 5.689 30 20 IKED Cc1ccccc1-c1cc(C(=O)N(CCC#N)Cc2ccco2)c2cnn(C(C)C)c2n1 502414562 IHSCSUCSVUMJLO-UHFFFAOYSA-N 427.508 5.137 30 20 IKED CC1CCN(CCCCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 502804411 DGKBOIZMAGYUPF-HSZRJFAPSA-N 439.003 5.629 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](CC1CCCC1)c1ccccc1 503676478 JMBYXCLAOJRDMQ-PGRDOPGGSA-N 435.593 5.457 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@@H](c3ccccc3F)C2)cc1 504035733 KTCNYYBXPRUOTE-HXUWFJFHSA-N 429.495 5.492 30 20 IKED N#C[C@@H](C(=O)c1csc(Cc2cccc(F)c2)n1)c1nc2ccccc2n1C(F)F 505422693 QCIZUBVFISOZHU-AWEZNQCLSA-N 426.423 5.108 30 20 IKED Cc1c(Br)cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1[N+](=O)[O-] 510477539 JWAMKTLFIFSXBM-NSHDSACASA-N 434.315 5.170 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2nc3ccccc3s2)cc1 511309096 WVTACPKMQPDQND-UHFFFAOYSA-N 428.517 5.263 30 20 IKED CN(CCCCc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511339348 VPYJUPFSDBWBMV-UHFFFAOYSA-N 427.548 5.818 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@H]3Cc3cccc(F)c3)c2)c1 511531202 YARJNYHNHUTQBJ-DEOSSOPVSA-N 442.494 5.189 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1OCC 513186558 KQYPLDNKIVDECQ-AWEZNQCLSA-N 426.822 5.431 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1 514320153 GQCDDPPLPCTPTD-UHFFFAOYSA-N 444.531 5.207 30 20 IKED Cc1nc2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cc2nc1C 514466011 ONZNMYCCZUUMGS-NRFANRHFSA-N 426.907 5.808 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@H](C[C@H]3CCOC3)c3ccccc3)cc2)ccn1 514696781 RMNBRYCKVFYQMU-HOYKHHGWSA-N 428.492 5.035 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 515539020 CIWRXMPPMMMCOW-CQSZACIVSA-N 427.913 6.011 30 20 IKED O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 519194221 JFHIIYVSWITIEI-UHFFFAOYSA-N 435.343 5.113 30 20 IKED C[C@H]1c2ccsc2CCN1C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 521196115 ZSCQECYBBPQWQK-YWZLYKJASA-N 449.963 5.141 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 521730641 PPGOBNDIXUAKSR-AWEZNQCLSA-N 448.013 5.144 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 521738424 HJPJIXQFBGBBNI-QFIPXVFZSA-N 443.572 5.121 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCCN(c3ccccc3)C2)cc1 522429963 HBKKCTQPUGQIMZ-NRFANRHFSA-N 442.519 5.150 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1c1cc(Br)ccc1OC 522953405 SQXXOQMJIWYMQX-SFHVURJKSA-N 444.329 5.097 30 20 IKED CC[C@@H](C)n1ncc2c(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc(C)nc21 523230100 NYWSXEMVGHCYGG-BEFAXECRSA-N 440.532 5.196 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)c1 524194711 ISLJRYWZGRKGGW-WJOKGBTCSA-N 438.593 5.327 30 20 IKED CCCc1c(NC(=O)c2cc(-c3ccccc3)c(C)nc2O)cnn1-c1cccc(C#N)c1 525901386 XJLZPNKGWRFCRN-UHFFFAOYSA-N 437.503 5.025 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)Nc1cccc2c1CN(c1nccs1)C2 534733924 YKJCXAXPZFUCKP-UHFFFAOYSA-N 437.528 5.102 30 20 IKED Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 536927290 ZZXQVMRNVCZHBH-SIKLNZKXSA-N 435.593 5.189 30 20 IKED C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2cccc(C#N)c2)cc1 542946283 LTGGRQCEOJRSDC-OAHLLOKOSA-N 434.883 5.076 30 20 IKED COCCOc1ccc([C@@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC 543961307 QASVISAVALZVAY-WOJBJXKFSA-N 430.548 5.671 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)C2CC2)cc1 544237549 SJHVIGUAMKLADB-UHFFFAOYSA-N 435.421 5.172 30 20 IKED C=CCNC(=O)c1cccc(-c2noc(-c3sc(-c4ccc(F)c(F)c4)nc3C)n2)c1 544372622 GBIKWERSNYLHIU-UHFFFAOYSA-N 438.459 5.030 30 20 IKED N#CCCC[C@H](NC(=O)C(=O)Nc1cccc(-c2cccc(Cl)c2)c1)c1ccccc1 551596205 CMNKTIHTILMLIQ-QHCPKHFHSA-N 431.923 5.497 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2nc(C3CCOCC3)cs2)c1 557721831 ROUWQTULDKKSAA-UHFFFAOYSA-N 439.924 5.607 30 20 IKED C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1cccs1 559161088 OHQFRJXYFOSPOC-KRWDZBQOSA-N 447.539 5.175 30 20 IKED Cc1cc(C#N)cnc1C(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1 559684224 RQBPBQUUUCFTAW-UHFFFAOYSA-N 425.492 5.037 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 561216341 JQNIPPMVEBVINR-JOCHJYFZSA-N 449.963 5.190 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCO[C@H](c4ccc(Cl)cc4)C3)c2)c1 576067255 MPCTXNROJIFUCE-DEOSSOPVSA-N 432.907 5.004 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(-c3cc(O)n[nH]3)cc2)cc1 578250307 WCZPLFMFSWPDKR-UHFFFAOYSA-N 426.501 5.199 30 20 IKED CN(C(=O)CC1(C(F)(F)F)CC1)c1ccc(NC(=O)CC2(C(F)(F)F)CC2)cc1F 579520091 USGUNWCPACYFBR-UHFFFAOYSA-N 440.359 5.192 30 20 IKED C=C(C)Cn1c(-c2ccc(OCCC(C)C)c(OC)c2)nnc1N1CCC(C)(C#N)CC1 582917361 AMDSUCIXKAWAIU-UHFFFAOYSA-N 437.588 5.085 30 20 IKED COc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)cs2)cc1OC 592974605 VFKLVDOUGRJKEA-CYBMUJFWSA-N 439.493 5.066 30 20 IKED N#Cc1ccc(OCC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c(Cl)c1 603908499 UXCLMMJKGBXYOZ-FQEVSTJZSA-N 429.907 5.020 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)o1 603963314 IRGMLRWXOOWFHT-UHFFFAOYSA-N 429.407 5.309 30 20 IKED CCc1c(C)sc(NC(=O)[C@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)c1C#N 609033466 VRKYTDCUHWDBLK-LBPRGKRZSA-N 446.623 5.078 30 20 IKED CCC(CC)CN(CCC#N)C(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 609186949 IJUJVPLVCVPDOL-UHFFFAOYSA-N 449.639 5.311 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3cccc(C#Cc4cccs4)c3)CC2)c1 609205697 QVRYBODKWGHODD-UHFFFAOYSA-N 427.529 5.095 30 20 IKED N#Cc1ccc(CNCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c(F)c1 609239819 FMCODQJXRUDOMI-UHFFFAOYSA-N 428.294 5.546 30 20 IKED CN(C(=O)c1cccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1)c1ccccc1 609501335 GYMVCUMXTDWVPD-UHFFFAOYSA-N 448.482 5.274 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 609683693 HHJJLQRFPPFYPG-HKBQPEDESA-N 431.561 5.310 30 20 IKED CN(C)[C@H](CNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1cccs1 609729794 UFGDKDKKGDGCLB-LJQANCHMSA-N 425.941 5.098 30 20 IKED Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(N[C@@H]3CCCc4cc(C#N)ccc43)cc2Cl)n1 611482536 ZCIJQYLQJIGKPP-GAJHUEQPSA-N 447.970 5.714 30 20 IKED Cc1cc([C@H](C#N)C(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)nc(C)n1 613295837 MSOLUNOYPFHJHI-SFHVURJKSA-N 442.371 6.183 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C#N)c1ccc(Cl)cc1 619863852 JTSDRJZXQBJMSV-SFHVURJKSA-N 431.348 5.707 30 20 IKED O=C(c1csc(-c2ccccc2F)n1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 620207411 CJERECKSKOXMFB-AOOOYVTPSA-N 426.357 5.152 30 20 IKED C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 670215989 KTGFGYSWRYLBOE-ZIAGYGMSSA-N 436.375 5.146 30 20 IKED N#C[C@@H](C(=O)c1cccnc1OCC(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 678325272 WJJYSBUQQZCJDB-NSHDSACASA-N 445.344 5.141 30 20 IKED Cc1cc(C(F)(F)F)ncc1NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 685668035 JGSTVTMBNMAYJV-RKDXNWHRSA-N 437.306 5.440 30 20 IKED C#Cc1cccc(N(Cc2ccccc2)C(=O)CCc2nnc(-c3cc4ccccc4o3)o2)c1 728248548 QAPSDYLQCJWCQY-UHFFFAOYSA-N 447.494 5.630 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc(C)c1OC(F)F 730920488 MKTADMADAWMLER-HNNXBMFYSA-N 440.418 5.181 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 732593491 MVKNBPLJHCMRAX-ISJGIBHGSA-N 448.522 5.751 30 20 IKED N#C[C@@H](C(=O)CSCc1cc(-c2cccs2)on1)c1nc(-c2ccncc2)cs1 734084174 XOKQNNJDMAJQGU-HNNXBMFYSA-N 438.559 5.031 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@@H](O)c2c(F)cccc2Cl)c1 741295785 CZLIVTGUDFOICN-LJQANCHMSA-N 445.277 5.260 30 20 IKED O=C(/C=C/c1c(Cl)ccc(Cl)c1Cl)c1ccc(S(=O)(=O)CC(F)F)cc1 741851970 HBWMHPSGYVWHMP-VMPITWQZSA-N 439.694 5.582 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1cccc(COC)c1)C(=O)c1ccccc1 742431275 GNSZCYRFJAJCML-BWAHOGKJSA-N 427.544 5.863 30 20 IKED Cc1c(Br)cccc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 744026341 WGNIZZOIGRJNEB-CQSZACIVSA-N 439.281 5.033 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)o2)cc1 744486128 JCOMOSFTQFLIFP-UHFFFAOYSA-N 449.388 5.651 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)ccc1OCc1ccccc1 748583864 JRLBLCIECBEZCV-NTUHNPAUSA-N 429.472 5.127 30 20 IKED COc1ccc(/C=C/C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(OC)c1OC 750916458 MWXLLJXQXXLGMT-GQCTYLIASA-N 434.332 5.646 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1C#N 752195327 GAFTUTUBGBPTNZ-UHFFFAOYSA-N 426.432 5.043 30 20 IKED C[C@@H](C[C@@H](O)c1cccs1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 752211809 KVOKGADTIJTITK-HTAPYJJXSA-N 435.549 5.027 30 20 IKED N#CC1(NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)CCSCC1 756024639 BAIPOVYYERPBLY-UHFFFAOYSA-N 425.604 5.108 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 761038855 UVABVFYPAFQJTE-LJQANCHMSA-N 448.404 5.005 30 20 IKED C[C@H](C#N)Oc1ccc(CN[C@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)cc1 761330277 LJSUILVCKKQOOA-KBMIEXCESA-N 445.563 5.486 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)N[C@@H](c3ccccc3)c3cccc(Cl)c3)CCO2)c1 761668019 CSNBTTZYHBNLHM-RPWUZVMVSA-N 431.923 5.084 30 20 IKED CCCCn1ccnc1-c1cccc(NC(=O)NCc2cccc(O[C@@H](C#N)CC)c2)c1 764225266 FBJJXKCGBBFTEF-JOCHJYFZSA-N 431.540 5.353 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccccc1OCc1cscn1 764753703 XOPTVKKFFWXDRL-UHFFFAOYSA-N 449.319 5.050 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@](C)(O)c1ccccc1Cl 765181116 ZPGKVFLHAZPHKK-RUZDIDTESA-N 449.938 5.128 30 20 IKED C[C@@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 767965402 NKFOEZVVDFYMQS-NTKDMRAZSA-N 445.563 5.076 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C/c3cccc(-c4cccnc4)c3)SC2=S)cc1Cl 768479530 HBABSJFLXWLBMT-JMIUGGIZSA-N 433.945 5.679 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C1(Cc2ccc(Cl)cc2)CC1 771171370 OQCHFCWGMZZPSA-INIZCTEOSA-N 442.968 5.096 30 20 IKED O=C(/C=C/c1ccc(F)cc1C(F)(F)F)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 771858693 KACLIRHSPLRAIK-XBXARRHUSA-N 440.336 5.077 30 20 IKED COc1ccc(CN(C(=O)NCc2cc(C#N)ccc2F)[C@@H]2CCCC[C@@H]2C)cc1OC 772493375 NNRCLSVZYRHRGJ-HTAPYJJXSA-N 439.531 5.005 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1 773261336 JCWIMXQRRAOSMZ-VWNXMTODSA-N 445.494 5.610 30 20 IKED CN(C(=O)c1ccco1)c1ccccc1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 773735036 QGEIICFTVJGHAV-UHFFFAOYSA-N 435.483 5.025 30 20 IKED C[C@@H](N[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccc(C#N)cc1 775158610 UFBASRQLLMYGCZ-QRQCRPRQSA-N 434.883 5.150 30 20 IKED C[C@H](NC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1ccc[nH]1 775985429 ZRCQDDWYFGHFOW-ISVAXAHUSA-N 447.301 5.716 30 20 IKED C[C@@H](N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1)c1ccc(OCC#N)cc1 776163613 JLWTWDJXTSDDKS-HUUCEWRRSA-N 442.382 5.887 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)nn1-c1ccccc1Cl 776516301 LVZKLOXCZNZZAQ-ZDUSSCGKSA-N 447.709 5.102 30 20 IKED C[C@@H](OC(=O)[C@H]1CC[C@H](C(=O)O[C@H](C)c2cccc(C#N)c2)CC1)c1cccc(C#N)c1 784581594 GHLNCODBGLUQCD-MCEIDBOGSA-N 430.504 5.145 30 20 IKED CC(C)(C)OC(=O)N1CCc2c(ccc(NC(=O)c3ccc(C(C)(C)C#N)cc3)c2F)C1 791237205 YEMFEYSUCUAWBX-UHFFFAOYSA-N 437.515 5.172 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC(c3cccc(Cl)c3)CC2)ccc1OC 793013694 UGOGGXUIXIJCNR-OAQYLSRUSA-N 441.959 5.119 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@H](CC)Cc1ccc(C(F)(F)F)cc1 793126520 TUJUTYQTQGXAMS-SJLPKXTDSA-N 432.442 5.020 30 20 IKED C[C@@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 795983268 PISISMQWFLTPMQ-GDBMZVCRSA-N 429.398 5.447 30 20 IKED Cc1ccc(C(=O)N[C@H](CC(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c2ccccc2)cc1 797567873 BXCIUBCNXHJDJN-LEWJYISDSA-N 445.588 5.487 30 20 IKED C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1OC(F)F)c1ccc(C(F)(F)F)cc1 798393435 UAOIPKOLGVUDDX-SECBINFHSA-N 425.300 5.650 30 20 IKED C=CC[C@@H](OC(=O)C1CCN(C(=O)[C@@H](C)CSC)CC1)c1ccc(Cl)c(Cl)c1 799378480 KLOKDXYIXWQPKI-IFXJQAMLSA-N 444.424 5.392 30 20 IKED N#C[C@@H](C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)c1nc(-c2c(F)cccc2F)cs1 802059484 XGVRPTDQBJRHSG-SJCJKPOMSA-N 440.368 5.994 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(-c2noc([C@@H]3CCN(c4ccc(C#N)cc4F)C3)n2)c1 804609116 NFCWHLMPWVSALQ-QGZVFWFLSA-N 449.486 5.088 30 20 IKED C[C@H](Oc1ccc(Cl)cc1Br)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813212216 ZOQHAOKTDBLTID-CABZTGNLSA-N 447.638 5.160 30 20 IKED O=C(Nc1ccc(N=Cc2cc(Br)cc(Br)c2O)cc1)C1CC1 839389857 UGDDDKIYAXLORU-UHFFFAOYSA-N 438.119 5.016 30 20 IKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1ccc(-c2ccccc2)cc1 839413897 CNIKMLIXVRNCEK-UHFFFAOYSA-N 430.533 5.094 30 20 IKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2cc3c(ccc4ccccc43)[nH]2)nc1C 911601986 SNOJALLOZJYRJR-UHFFFAOYSA-N 446.561 5.072 30 20 IKED COc1ccc(-c2nc(SCc3cc(Cl)ccc3OC(F)F)nc(O)c2C#N)cc1 914683762 MEXSTSUFYYBBHS-UHFFFAOYSA-N 449.866 5.277 30 20 IKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccco2)c1 916207777 LBXQAAOWBMCCQG-OAQYLSRUSA-N 433.533 5.057 30 20 IKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(N2CCCCC2)cc1 916278121 AVLMBDBSISVSAX-UHFFFAOYSA-N 427.577 5.183 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cccc(Oc2ccccc2)c1 916901984 URFWULVTKPAXDN-IBGZPJMESA-N 434.879 5.411 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc(-c2ccc(OC)cc2)nc1C 916902134 CMYZLMSUPKECPX-FQEVSTJZSA-N 447.560 5.213 30 20 IKED CCCCOc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916904709 IAXUROKNZBWANL-QFIPXVFZSA-N 428.488 5.619 30 20 IKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(COc2ccc(F)cc2)o1 916942796 PBOMXTIHLSJJJQ-SFHVURJKSA-N 447.249 5.266 30 20 IKED Cc1ccc(-c2cnc(CCC(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1 916944881 PFZVFIQVVFPROP-GOSISDBHSA-N 442.302 5.237 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1 916956023 WWWCMPBZPPYGCO-OXQOHEQNSA-N 449.938 5.789 30 20 IKED CCOc1cc2c(cc1/C=C/C(=O)[C@H](C#N)c1nc(-c3ccc(C)cc3)cs1)O[C@H](C)C2 916974984 TXYHTPGXTDQNBP-AQFFIDQGSA-N 444.556 5.730 30 20 IKED N#C[C@H](C(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1nc(-c2ccc(Cl)cc2)cs1 916976829 GWQIPDKGFGOCBX-WMLDXEAASA-N 429.328 5.544 30 20 IKED N#C[C@H](C(=O)/C(=C\c1ccc(F)cc1)c1cccs1)c1nc2cc(Cl)ccc2s1 917046202 HQYWYNYFUOQYTE-LPPOOGIUSA-N 438.936 6.567 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccccc2)Cc2ccco2)cc1 918300912 WZRRWVQWHSGKTM-SANMLTNESA-N 449.510 5.103 30 20 IKED C#Cc1cccc(NC(=O)CC23C[C@@H]4C[C@H](C2)CC(C(=O)Nc2cccc(C#C)c2)(C4)C3)c1 919881490 WMTYLRRCVYKQMD-RJAVSUSUSA-N 436.555 5.203 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)n1 920328057 UEHYPYRMJAOKEG-HXUWFJFHSA-N 435.549 5.341 30 20 IKED CC(=O)Nc1ccc(C(C)=NOCc2coc(-c3ccc(Br)cc3)n2)cc1 920486317 XSEPWKMHLOGKOK-UHFFFAOYSA-N 428.286 5.003 30 20 IKED CC(C)[C@H](C(=O)Nc1ccc(C2(NC(=O)CCC#N)CCC2)cc1)c1ccc(Cl)cc1 1786184786 PNZLNXHTPPAIBB-QHCPKHFHSA-N 437.971 5.517 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(C)cccc3[nH]2)[nH]n1 1819307018 LXSGDGGXWYYRDI-JPYJTQIMSA-N 445.567 5.274 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1819557037 UMWJQIHCAFMUTP-PGRDOPGGSA-N 447.583 5.335 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)cc2)n[nH]1 1820562020 SLBLDXPKBLWCGV-QUCCMNQESA-N 426.948 5.137 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 1823701271 FJSTXBQWGLFSGL-NRFANRHFSA-N 435.395 5.193 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc(C)cc(F)c2)CC1 1824144924 NEAAGKQVRNFGGI-RUZDIDTESA-N 440.603 5.065 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCn2cccc2)CC1 1828826807 MLSYZQWWGKEMGX-JWQCQUIFSA-N 439.644 5.047 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C3CC3)cc2)CC1 1828827328 LJQBMSMJKXBNQW-FTJBHMTQSA-N 434.624 5.566 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)NCc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 16862730 HNZQRGQHENBCQK-AWEZNQCLSA-N 447.391 5.235 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1C(=O)/C(O)=N/c1nnc(SCc2ccccc2)s1 21954763 DTFPHPPHPZTQOC-UHFFFAOYSA-N 449.561 5.104 30 20 IKED C[C@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 22132918 MNXSSASWMDCAND-PZBNQXIHSA-N 445.592 5.036 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccc(CC)cc2)cc1 22693966 OBCJZRCHUUCKMG-UHFFFAOYSA-O 433.597 5.603 30 20 IKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(C)cc2)[n+]2ccc(CC)cc2)cc1 22727374 FKXKXGHJQNXEGE-UHFFFAOYSA-O 447.580 5.073 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](CC)c2ccc(Cl)cc2)nnc1-c1ccc(F)cc1 24014567 DUBVDWSHIXPAQR-IBGZPJMESA-N 444.963 5.283 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(C)=O)cc2)nnc1-c1ccc(Cl)cc1 24638151 WLTKJBQVSDJXGD-AWEZNQCLSA-N 440.956 5.106 30 20 IKED C=CCn1c(SCc2noc(-c3ccc(Cl)cc3)n2)nnc1-c1ccc(OC)cc1 28188492 RVWHOEKDNZEWAE-UHFFFAOYSA-N 439.928 5.135 30 20 IKED C=CCn1c(SCc2ccc(-n3nc(C)cc3C)cc2)nnc1-c1ccc(OC)cc1 31843800 UIMWPJFFXOFAJH-UHFFFAOYSA-N 431.565 5.235 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccccc2OC)cc1 58418886 UGXZSSPODAJTDE-UHFFFAOYSA-N 431.492 5.040 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc12 60488223 SVQRWYLBXRAKHO-QGZVFWFLSA-N 446.532 5.693 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(Cl)ccc1Br 195611409 WQIXWTWHEWYAHI-UHFFFAOYSA-N 442.700 5.722 30 20 IKED Cc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c2c(C(C)C)noc2n1 195692633 OOSLPNCOYDSQPT-UHFFFAOYSA-N 440.503 5.552 30 20 IKED COc1ccc([C@@H](Cc2ccccc2C)NCc2ccc(O[C@H](C)C#N)cc2)cc1OC 237251730 VEMPUPHNFUGEIH-CJFMBICVSA-N 430.548 5.377 30 20 IKED CC(C)[C@H](c1ccccc1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 303440923 AUIJJBFKLYNGSA-AREMUKBSSA-N 427.548 6.193 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2nc3ccc(Cl)cc3s2)nnc1-c1ccco1 428354863 CGSHDWXNWQRZOL-UHFFFAOYSA-N 445.957 5.108 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)Cc1cc(OC)ccc1Br 429621393 KSCHUFHSNSCHIT-UHFFFAOYSA-N 431.374 5.974 30 20 IKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)cc(-c3ccccc3)nc21 430622524 GJAAKGAHMWZTAH-SFHVURJKSA-N 443.576 5.923 30 20 IKED CN1CC[C@H](CNC(=O)N[C@@H](CCCC#N)c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 431467633 ZNSAXJIDMVFQFA-WTIAFYNJSA-N 442.966 5.206 30 20 IKED CCN([C@@H](c1ccc(Cl)cc1)c1cccnc1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 431890784 GRMWSRAZBUBKRU-NRFANRHFSA-N 446.359 5.060 30 20 IKED C[C@@H](Oc1ccccc1NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)c1ccccc1 437051751 SWZNSLQXPZOCDC-LJQANCHMSA-N 443.503 5.086 30 20 IKED COc1cc(CS(=O)(=O)CCCC2CCCC2)ccc1OCc1cccc(C#N)c1 437234441 SQFWUZLKJSGIKB-UHFFFAOYSA-N 427.566 5.031 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C(=O)Nc2cccc3ccsc23)cc1 437361351 ZBRTXBSVPUAQTJ-UHFFFAOYSA-N 443.503 5.080 30 20 IKED CC(C)N(Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(-c2ccc(F)cc2)s1 441221083 CMIFIWWDDSZDOS-UHFFFAOYSA-N 432.524 5.886 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cccn(CC(F)(F)F)c1=O)c1ccc(C(F)(F)F)cc1 442227885 VEXBSWPHXXVUOL-OAHLLOKOSA-N 447.379 5.258 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(C)c(Oc3ccncc3)c2)c1C#N 445560917 JGJQVYDFHBUTMS-UHFFFAOYSA-N 441.516 5.214 30 20 IKED C=CCn1c(S[C@H](C)c2nc(Cc3ccc(F)cc3)no2)nnc1-c1cccc(C)c1 445589019 PNJKNDLXCCLLGC-MRXNPFEDSA-N 435.528 5.406 30 20 IKED CC(C)(c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1)C(F)(F)F 447517930 AUDAOZJPUMTIBQ-GOSISDBHSA-N 439.462 6.012 30 20 IKED Cc1nn(C)c(Sc2ccccc2)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 463590522 KKPMCDJPFITIRP-UHFFFAOYSA-N 440.528 5.796 30 20 IKED CC(C)c1c(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cnn1-c1ccccc1Cl 464458046 DOKYRRPTDAEPOY-CQSZACIVSA-N 432.833 5.553 30 20 IKED C[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)Oc1ccc(Cl)cc1 464625032 GLWQVUDYSZYWPT-KRWDZBQOSA-N 436.964 5.701 30 20 IKED N#CCCCOc1cccnc1NC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 466620996 OSQVBESWZOITQG-KRWDZBQOSA-N 444.919 5.009 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)C1CCC(C(F)(F)F)CC1 469831200 MQWIRTJEDBAWFQ-UBHUBRDASA-N 435.330 6.184 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2ccccc2CSc2nc3ccccc3o2)n1 474429447 ASAOOGWTZYGXNW-KRWDZBQOSA-N 433.558 6.190 30 20 IKED CCOc1ccc(NC(=O)c2ccc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)cc2)cc1 479825186 YGIUBSQCAZSRJH-UHFFFAOYSA-N 443.503 5.005 30 20 IKED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2)cc1 481401542 IIQXQFAIWJVASS-IBGZPJMESA-N 436.519 5.339 30 20 IKED C=C(C)[C@@H](NCc1csc(N(C(C)=O)c2ccccc2OC)n1)c1ccc(F)c(F)c1 481578264 MWZKZVMFWIHGJU-JOCHJYFZSA-N 443.519 5.522 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cc(-c3nc(C)co3)ccc2C)nnc1-c1ccco1 481877442 XUHFCMLYXUMXMZ-UHFFFAOYSA-N 449.536 5.117 30 20 IKED COc1cc(Br)cc(C)c1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 483020351 GPWFJHAEJKUSGW-UHFFFAOYSA-N 437.293 5.682 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3c(C)cc(C)cc3C)o2)c1 483291289 FOCPPXKERNWKBG-HXUWFJFHSA-N 448.592 5.706 30 20 IKED CC(C)c1cc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)c2cnn(C(C)C)c2n1 486584588 WHCFTWIVANBTOB-UHFFFAOYSA-N 433.600 5.460 30 20 IKED N#Cc1c(NC(=O)COc2cccc(NC(=O)c3ccco3)c2)sc2c1CCCCCC2 490771355 VBMPHSMIFSOBFS-UHFFFAOYSA-N 449.532 5.142 30 20 IKED CC[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1ccncc1 496351244 WCQGXWISPWKGRY-GOSISDBHSA-N 445.470 5.292 30 20 IKED COc1cccc(CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1OC1CCCC1 499256584 QQPQCDYAJHUSEA-UHFFFAOYSA-N 443.503 5.006 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 500619106 SIOKOOASRPJYDR-UHFFFAOYSA-N 442.338 5.024 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccccc3SC3CCCC3)CC2)c1 502678060 FYCAXHWJQJUALI-UHFFFAOYSA-N 448.592 5.476 30 20 IKED C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 504777758 YQXZGJMQIOSLBU-AWEZNQCLSA-N 434.342 5.440 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1 504818939 LRCBEHOIZDMJTI-UHFFFAOYSA-N 444.387 5.925 30 20 IKED CCCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H](C)CC(=O)Nc1ccccc1 505309669 FGNSWTZKQBQLIL-MOPGFXCFSA-N 438.597 5.742 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)o1 505546150 CGDDFOHJIGCZCJ-QGZVFWFLSA-N 426.259 5.032 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)cc1 508156265 FYLGRYNGRWUZQL-VWLOTQADSA-N 426.516 5.260 30 20 IKED CC(C)n1c([C@@H]2CCCN(C(=O)CSCc3ccc(C#N)cc3)C2)nc2ccccc21 511481999 XNMADKATKYKDBT-OAQYLSRUSA-N 432.593 5.128 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1c[nH]c2cccc(Br)c12 513779137 ZGQMZGHRHMQPEY-ZDUSSCGKSA-N 428.355 5.506 30 20 IKED N#C[C@@H](C(=O)c1sc2cc(Cl)ccc2c1Cl)c1nc(-c2ccncc2)cs1 516331225 JQOKVALTSWHQSQ-ZDUSSCGKSA-N 430.341 6.217 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nncn1-c1cccc(Cl)c1 518130071 IFWAQXHHUKEDNU-CQSZACIVSA-N 443.985 5.046 30 20 IKED CC[C@H](c1ccccc1)N(CC)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 521841272 ZLEXAVZFJUJDKA-AREMUKBSSA-N 427.548 6.337 30 20 IKED CCNC(=O)Nc1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 523946470 DYMGSLLHRVWHCF-UHFFFAOYSA-N 434.883 5.398 30 20 IKED Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 524502562 PBCLNOQCTUOWOJ-UHFFFAOYSA-N 436.471 5.280 30 20 IKED N#CCc1ccnc(NC(=O)c2ccccc2SCc2ccc(Br)cc2)c1 532180990 IRWONEGZFLAJGJ-UHFFFAOYSA-N 438.350 5.455 30 20 IKED CC[C@@H](C)n1c(SCC(=O)N[C@](C)(C#N)CCc2ccccc2)nnc1-c1ccccc1 533368900 ABAJUOUPQFYNGJ-CLOONOSVSA-N 447.608 5.039 30 20 IKED CC(C)Cn1ncc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1C(F)F 536366100 VHUHBHCCMNBQRQ-UHFFFAOYSA-N 428.414 5.532 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC(C)(c1ccccc1)c1ccccc1 537104599 IGMNLRPBMZOSNF-FQEVSTJZSA-N 429.589 5.573 30 20 IKED CN1CCC[C@H](CNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)[C@H]1c1cccs1 538064820 ZASODLBGIWIKPQ-RDGATRHJSA-N 444.604 5.169 30 20 IKED Fc1ccc([C@H](CC(F)(F)F)NCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 538175585 NDJCEZGRDCWNBZ-HNNXBMFYSA-N 433.327 5.678 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 540869451 YRCDQVRDFBIHJN-UHFFFAOYSA-N 428.332 5.307 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)NC3CCN(Cc4ccc(C#N)cc4)CC3)s2)cc1 540983159 IZKOUUXOLAXEOI-LJQANCHMSA-N 430.621 5.614 30 20 IKED COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2CCC(=O)Nc2sccc2C#N)c1 543190816 XEUWZGFDAJBCDP-LADGPHEKSA-N 431.561 5.188 30 20 IKED CCCc1c(NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cnn1-c1cc(C)ccn1 544889032 UMGIFFWIEDNBAZ-KRWDZBQOSA-N 434.569 5.424 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC(CC#N)CC1 549290520 CXPZMZWCVPRIOI-SFHVURJKSA-N 427.980 5.395 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC2(CCO2)CC1 549292773 WSWJZQLRWUUKOF-GOSISDBHSA-N 430.980 5.024 30 20 IKED N#C[C@@H](C(=O)c1ccc(Br)c(OC(F)(F)F)c1)c1nccc2ccccc12 549570345 QLSNPHHOWGCTBF-CQSZACIVSA-N 435.199 5.386 30 20 IKED C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 554436044 WTNFKUZVECNFLS-QGZVFWFLSA-N 442.523 5.208 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(Br)c(Cl)c1 567986499 UPCXSNQUPKVQBX-LBPRGKRZSA-N 439.762 5.514 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NCc3ccc(C#N)cc3C(F)(F)F)s2)cc1 576080093 NNFOENFUYQUDEH-CYBMUJFWSA-N 431.483 5.868 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3cncc(Cl)c3Br)c2)c1 579999261 HPAFHEDWHGJPMK-UHFFFAOYSA-N 442.700 5.200 30 20 IKED C=C(C)[C@@H](NC(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1)c1ccc(F)c(F)c1 580727528 UMHGZNXYMRTQOA-GOSISDBHSA-N 427.373 5.295 30 20 IKED CCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 581916887 ZNKIMKAIDSNBKM-UHFFFAOYSA-N 444.878 5.869 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1 581961824 QCTBUQHQAXASIT-UHFFFAOYSA-N 429.567 5.298 30 20 IKED Cc1ccc(F)c(C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)c1 589041813 LRUGODIMEYHXKQ-UHFFFAOYSA-N 425.300 5.269 30 20 IKED COc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc(OC)c1OC 603673202 KMYPEJOKPDZERA-IBGZPJMESA-N 436.895 5.274 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cn(-c3ccc(Cl)cc3)nn2)cc1Cl 603766926 ZUZLYRMLTYHQOW-FQEVSTJZSA-N 448.313 5.482 30 20 IKED COc1ccccc1[C@H](C)N(C)C(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCC2 603904778 SMFFNJRPGNCHFY-INIZCTEOSA-N 447.560 5.022 30 20 IKED COc1ccc2c(c1)OC[C@@H](C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)C2 604510928 PSUOWDJURZWZHD-AVRDEDQJSA-N 432.907 5.194 30 20 IKED COC[C@@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1cccc(C(F)(F)F)c1 605340252 WDLBIMYZJTZMJP-JOCHJYFZSA-N 439.437 5.009 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 607206095 LDDXJVARMZJQPT-UHFFFAOYSA-N 429.293 5.198 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 608916375 ZBTIVOWTJJIGQI-UHFFFAOYSA-N 444.510 5.070 30 20 IKED Cc1ccc(C(=O)Nc2cccc(CNC(=O)N(Cc3ccc(C#N)cc3)C(C)C)c2)cc1 608918362 JCVZYYAELGUVFE-UHFFFAOYSA-N 440.547 5.239 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2cccc(F)c2)cc1C 609080358 YSIOPDLBTWQQOJ-UHFFFAOYSA-N 447.510 5.265 30 20 IKED COc1cc(C2(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC2)ccc1C 609104056 DCWTWQHUSZWXCR-UHFFFAOYSA-N 430.479 5.264 30 20 IKED N#C[C@H](NC(=O)CCc1cccc(OC2CCCC2)c1)c1ccccc1Br 609590082 BYBXEXRDJKVDAH-NRFANRHFSA-N 427.342 5.084 30 20 IKED CC(=O)Nc1cccc([C@H](C)NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 609723241 WIIHJDMGDREOSF-HNNXBMFYSA-N 433.895 5.453 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(Oc2nccs2)c1 609906551 COLQSORFGVEZHJ-UHFFFAOYSA-N 427.485 6.160 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](CCO)c2ccccc2)cc1Cl 610142055 RVLWOBNZDMUFFF-OFNKIYASSA-N 433.939 5.283 30 20 IKED CCOCCOCc1cccc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1C 610415674 BEUWDOPESTUVFJ-UHFFFAOYSA-N 446.507 5.251 30 20 IKED N#C[C@H](NC(=O)c1ccccc1SCc1ccco1)c1cccc(Br)c1 611252843 XPEWYQQUKAYKEN-SFHVURJKSA-N 427.323 5.329 30 20 IKED CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 612563842 JYCYZADTTWBKFQ-FYYLOGMGSA-N 446.482 5.269 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1NC(=O)c1ccccc1 613407469 UJWJWIWQQZSTEU-SFHVURJKSA-N 445.931 6.001 30 20 IKED O=C(c1cc(F)c(C(F)(F)F)c(F)c1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 622502568 VCBPGVLOLNWDAS-HNNXBMFYSA-N 439.302 5.216 30 20 IKED Cc1ccc(C(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c(F)c1 622517202 CTEYTVSQIWJZGI-KRWDZBQOSA-N 435.339 5.385 30 20 IKED O=C(Nc1ccc(OC2CCC2)c(F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 674025699 WOZRWCLUKBPDDP-GHMZBOCLSA-N 428.348 5.352 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674442211 GSGKIBVZCJTPMV-TXEJJXNPSA-N 426.357 5.070 30 20 IKED O=C(NCC1(c2ccc(F)cc2F)CC1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 677764055 LILPRVISHWFAIQ-PJXYFTJBSA-N 444.366 5.205 30 20 IKED C[C@@H]1CCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C4)C3)C[C@@H]1F 679247733 HENDBOKCLRWQGY-CCPBZBCZSA-N 429.420 5.315 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)c1 726319247 DGCAMZWUDLUFLI-GOSISDBHSA-N 443.450 5.027 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)cc1 726319351 GYYOIBXMPAINND-KRWDZBQOSA-N 443.450 5.352 30 20 IKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(C)sc2C)cc1 726570536 DMNPETBRWUEGNO-UHFFFAOYSA-O 441.001 5.809 30 20 IKED Sc1nnc([C@H]2CCCO2)n1N=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 727062234 VUGVZZFASWVBSZ-GOSISDBHSA-N 449.363 5.186 30 20 IKED COc1cc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)ccc1NC(=O)OC(C)(C)C 727224092 DUTMPENPLGZZBX-UHFFFAOYSA-N 438.528 5.356 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2nc(C)c(-c3ccccc3)o2)cc1 730397125 XTRCWUKHSAHLJV-QFIPXVFZSA-N 429.520 5.273 30 20 IKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nnn1-c1ccc(F)c(Cl)c1 731165648 ATSPXXRDOMUBGX-FQEVSTJZSA-N 445.885 5.276 30 20 IKED N#C[C@H]1C(CN(Cc2ccccc2F)c2ccccc2F)=CC(=O)n2c1nc1ccccc12 731842633 HMUYTOHFLYHVFD-IBGZPJMESA-N 440.453 5.209 30 20 IKED N#CCOc1ccc(CC(=O)N(Cc2cccs2)c2ccc(Br)cc2)cc1 731976114 LGNHSZPLZMADOD-UHFFFAOYSA-N 441.350 5.189 30 20 IKED CSc1cccc(NC(=O)COC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 732377838 XENDKDWQYDUBTF-UHFFFAOYSA-N 432.501 5.062 30 20 IKED Cc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 732899435 VLQJWUSSGDSEQP-FTJBHMTQSA-N 439.559 5.493 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 733034162 RLLTUSFJUVHWOT-VWLOTQADSA-N 447.485 6.093 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)CCc2ccc(-c3ccccc3F)o2)ccc1OC 733231689 GUUACXNATNYNKN-SFHVURJKSA-N 436.483 5.024 30 20 IKED CCn1c(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)nc2ccccc21 734992633 CVPVKJQLVDYSCL-UHFFFAOYSA-N 430.895 5.304 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cccc(-n3ccnc3O)c2)c1 735003556 GHYRQDOZUQZKFP-UHFFFAOYSA-N 430.851 5.148 30 20 IKED N#CCOc1ccc(Cl)cc1CSCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 735320506 VNOXUZKPQXOCEF-UHFFFAOYSA-N 449.281 5.786 30 20 IKED Cn1cc(/C=C\C(=O)c2ccc(C(F)(F)F)cc2)c(-c2ccc3c(c2)OCCCO3)n1 740615809 CFKMTFFRSDPMTC-UITAMQMPSA-N 428.410 5.163 30 20 IKED CCCN(Cc1ccccc1O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 743106281 WTUQWWFUEJYGEG-QFIPXVFZSA-N 433.939 6.145 30 20 IKED C#CCN(Cc1ccc(F)cc1)C(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 743678290 LIFFBCGFVILGNP-UHFFFAOYSA-N 440.927 5.377 30 20 IKED C=CCN(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1nc(-c2ccccc2)cs1 747543834 UWWPFMRTLNTTHU-UHFFFAOYSA-N 435.549 5.990 30 20 IKED C=CCC[C@H](NC(=O)CCN1C(=C)c2ccccc2C1=O)c1ccc(C(F)(F)F)cc1 749948113 VCJRDHGQLRFXMF-NRFANRHFSA-N 428.454 5.346 30 20 IKED O=C(O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cc(O)nc2ccc(F)cc12 750203721 KMWXDYNULGOHMA-INIZCTEOSA-N 433.279 5.559 30 20 IKED Cc1nc(CCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cs1 750689214 YGYWFZSPIAHYAA-OAHLLOKOSA-N 436.389 6.081 30 20 IKED COc1ccc(Nc2nn(CN3CCC[C@H]3[C@@H](C#N)c3ccccc3)c(=S)s2)cc1 751935801 XFDWNMMXNMIINP-PMACEKPBSA-N 437.594 5.156 30 20 IKED CC[C@@H](NC(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1)[C@H](O)c1c(F)cccc1F 752680423 YRLUTPDADBXZEY-ZBFHGGJFSA-N 438.343 5.253 30 20 IKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C2CC(F)(F)C2)c1 757886047 PKXPMQAQCVPRPX-IBGZPJMESA-N 443.519 5.061 30 20 IKED COc1ccc(C(=O)CC(C)(C)CC(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1 760181446 QEOMOSHLHQAGAU-FQEVSTJZSA-N 430.504 5.066 30 20 IKED O=C(O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cc(F)c([N+](=O)[O-])cc1F 763498872 AZQQRBVXBPBPOL-CYBMUJFWSA-N 429.219 5.352 30 20 IKED C[C@H]1CCCCN1CCC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 764052818 NFKYMAILCKPZHF-CUNXSJBXSA-N 444.623 5.850 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN2CCCC[C@H]2c2cc3ccccc3[nH]2)c1=S 764992464 XWMSCGMBJKIMFN-QFIPXVFZSA-N 430.581 5.328 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(Cl)c(F)c2)cs1 765612070 DEUHZEJREJIAGE-WEVVVXLNSA-N 435.307 6.170 30 20 IKED N#C[C@H](C(=O)Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(F)ccc2s1 766352456 ZZCHMBWSKZLBIL-CQSZACIVSA-N 428.286 5.098 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1cn(CCCC#N)c2ccccc12 769542181 MBWHMUUYHCDNLR-LJQANCHMSA-N 431.536 5.561 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(C#N)cc2Cl)cs1 788360175 HPNBKXDESQYHQR-WEVVVXLNSA-N 442.327 5.902 30 20 IKED COc1ccc(NC(=S)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F 789388530 REXDRBUMBVJKSK-UHFFFAOYSA-N 440.384 5.701 30 20 IKED Cc1nnc(Sc2ccc(NC(=O)C#Cc3ccc(C(F)(F)F)cc3)c(C)c2)s1 790561381 NNGWPTNGLFNEKQ-UHFFFAOYSA-N 433.480 5.315 30 20 IKED C[C@@H](OC(=O)C[C@@H](CC#N)c1ccccc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 795994330 XJLCGWXKFGAZLE-UKRRQHHQSA-N 438.833 5.317 30 20 IKED C=CC[C@@H](OC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1)c1ccc(Cl)c(Cl)c1 797553811 ZUFCCWDFLHTBMF-FXAWDEMLSA-N 433.335 5.101 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCCCC1(C#N)CCOCC1 800150032 YKDSWFZIMOQONP-MRXNPFEDSA-N 448.972 5.260 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)n1 805890997 GFDFFXUVSGNQTL-QGZVFWFLSA-N 426.973 5.275 30 20 IKED O=C(Nc1cccc(/C=C2\C[C@@H](C(=O)O)c3ccccc3C2=O)c1)c1ccc(Cl)cc1 806559349 AKACADCMHAKRLO-YAECTWJJSA-N 431.875 5.431 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(Br)c2ccccc2c1 815907114 SDUSMEQTRALTFE-KRWDZBQOSA-N 427.685 5.217 30 20 IKED N#C[C@H](C(=O)CC[C@H]1Cc2ccccc2NC1=O)c1nc(-c2ccc(Cl)cc2)cs1 915101503 HTWZIAMDOIZSRP-FUHWJXTLSA-N 435.936 5.231 30 20 IKED Cc1cc([C@H](C#N)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)nc(C)n1 915103282 OREYUPPNPVRKLL-QFIPXVFZSA-N 441.922 5.019 30 20 IKED Cc1nc(SCC(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)c(C#N)c(C)c1C 915151774 OHZPGVMTRNOQLV-UHFFFAOYSA-N 444.532 5.095 30 20 IKED COc1ccccc1OCc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)o1 915862867 PVJWHOMYDAAJPM-QHCPKHFHSA-N 438.483 5.775 30 20 IKED CCN(CC)c1ccc2cc(C(=O)/C=C/c3csc(-c4ccccn4)n3)c(=O)oc2c1 915988301 UFRBFXWNFPURFI-PKNBQFBNSA-N 431.517 5.054 30 20 IKED CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 916056745 HNEHIBIABLFCQL-IBGZPJMESA-N 427.932 5.239 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(Br)cs2)cc1 916626492 BHYAHRHNVNJAHP-LJQANCHMSA-N 426.339 5.488 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1sc2cc(Cl)ccc2c1Cl 916917466 HEAPQFAPLOSJMB-INIZCTEOSA-N 439.323 6.322 30 20 IKED CCCCc1ccc(C(=O)CCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 916931881 OQUIIMBXGWDXMX-SFHVURJKSA-N 445.346 5.646 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ccc(-c3ccccc3F)o2)cc1Cl 916938993 PBTYCACOGSGVPT-KRWDZBQOSA-N 440.858 5.028 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)cc1 916950566 VEKQFLOYWJGGNV-AXHZCLLHSA-N 441.531 5.696 30 20 IKED CCOc1cc2c(cc1/C=C\C(=O)[C@H](C#N)C(=O)Nc1ccc([C@H](C)CC)cc1)O[C@@H](C)C2 916955311 OSBSPPRLNZJIIV-GDTBHXRQSA-N 446.547 5.283 30 20 IKED N#C[C@@H](C(=O)COc1ccc(F)c(Cl)c1)c1nc2cc(C(F)(F)F)ccc2s1 917044953 WEJUNKXQFPBFLX-NSHDSACASA-N 428.794 5.363 30 20 IKED COc1cc(C=Nn2c(S)nnc2-c2ccccc2C)ccc1OCc1cccs1 917575084 UAROSTRJWDWCBL-UHFFFAOYSA-N 436.562 5.074 30 20 IKED CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)cc(Cl)c1OC 917644765 KGZLTKGYEUKFDL-YVLHZVERSA-N 430.938 5.025 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1ccc2nc(O)oc2c1 1562322329 VDUSDKVHNOCKBY-INIZCTEOSA-N 442.475 5.175 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4nc5ccc(Cl)cn5c4C)CCC3)cc2)C1 1785810291 MMATZTGGGNOQCU-UHFFFAOYSA-N 448.954 5.010 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4nccnc4c3)CCC2)cc1 1785842132 OXRZQVZRWHIZKK-UHFFFAOYSA-N 442.563 5.370 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C)cc3)CCC2)cc1 1786369981 ICJAMUMQILQIQL-UHFFFAOYSA-N 434.580 5.045 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc4nc(C)ccc4o3)CCC2)cc1 1789451940 XCDHSKVNDAQMCB-OAQYLSRUSA-N 443.547 5.652 30 20 IKED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1 1812805004 ZDUVLPDADJFSFM-WWNPGLIZSA-N 447.689 5.038 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2C2CC2)[C@H]1c1cccnc1 1813752003 BAPXOTBPROHDBB-JYFHCDHNSA-N 443.591 5.047 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](c2ccccc2)C(C)C)n[nH]1 1814933107 KWKPUUSIGRYISE-RCZVLFRGSA-N 434.584 5.035 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C(C)(C)C)oc2C)n[nH]1 1816464508 IAEQRTWTZVFSRE-KXBFYZLASA-N 426.561 5.127 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(F)cccc2Cl)n[nH]1 1820431079 ZPYLRGIMLWLXAX-DNVCBOLYSA-N 444.938 5.277 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](F)c2ccccc2)CC1 1823751561 ZNAPWDIGPNQSFX-XZOQPEGZSA-N 428.592 5.309 30 20 IKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Cl)c2C)CC1 1823915654 IOWXIMNJKSFDCZ-HSZRJFAPSA-N 429.004 5.075 30 20 IKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2occc2C)CC1)c1ccccc1 1829032879 OPIZUMUDOGFJKZ-JWQCQUIFSA-N 446.591 5.019 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)cc2F)CC1 1830091002 LMAXUIODCQRXNK-JOCHJYFZSA-N 432.555 5.191 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1 1831372710 HVMZWYLXRIRFMI-LYIXCCSJSA-N 428.661 5.425 30 20 IKED Cc1ccc(C2(C(=O)N3CCCC[C@H]3C3CCN(C(=O)CCC#N)CC3)CCCCC2)cc1 1832026342 RRYKUOKZVJYYQG-VWLOTQADSA-N 449.639 5.120 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccccc2F)CC1 1832390314 DYKDUOZQQKDBKK-VWLOTQADSA-N 440.603 5.146 30 20 IKED C[C@H](OC(=O)c1c(Cl)ccc(Cl)c1Cl)C(=O)Nc1ccc(C#N)c(Cl)c1 15848299 FPZORMJCUSRLDW-QMMMGPOBSA-N 432.090 5.356 30 20 IKED CC(C)(C#N)c1ccc(N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1 28373669 OHMUXHPZXYAMTN-JOCHJYFZSA-N 448.910 5.841 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1ccc(-n2nc(C)cc2C)cc1 30533980 YJIPBNSDQVEWIT-UHFFFAOYSA-N 449.555 5.277 30 20 IKED C=CCN(Cc1cccs1)C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 60677930 DHNUFYPKSUYIII-UHFFFAOYSA-N 436.920 5.031 30 20 IKED CCOc1cc2c(cc1CNCc1cccc(OCc3cccc(C#N)c3)c1)O[C@@H](C)C2 60960757 IALKRGYCONOATM-IBGZPJMESA-N 428.532 5.149 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 195662410 JOIVZAOHJVQQLD-MRXNPFEDSA-N 436.949 5.781 30 20 IKED COc1ccc(/C=C2/N=C(SCCCC#N)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 206767123 UKMTVTRFKFBFQB-CPNJWEJPSA-N 441.940 5.138 30 20 IKED N#CCCCOc1cccc(/C=C(\C(=O)NCc2ccccc2)c2nc3ccccc3[nH]2)c1 207614202 JWJSJEXGVJVWNK-NKFKGCMQSA-N 436.515 5.102 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)c2cccc(OCc3ccccc3C#N)c2)cc1OC 302967498 HLJDQOIOZCWDEK-DEOSSOPVSA-N 442.515 5.132 30 20 IKED C[C@H](Nc1ccc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cc1[N+](=O)[O-])c1ccccn1 430640480 KMZDQTCRQVYBFO-HOCLYGCPSA-N 449.536 5.407 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Br)cc3[N+](=O)[O-])n2)cc1 432219948 UIMRTKSUXVLJEI-HNNXBMFYSA-N 442.294 5.279 30 20 IKED O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)Nc1cccc(COCC(F)(F)C(F)F)c1 438621858 JYKNCVFEYDSFII-TZMCWYRMSA-N 444.391 5.594 30 20 IKED Cc1cc(C#N)ccc1C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 438843133 QQSSZLYIHHYVJU-UHFFFAOYSA-N 425.275 5.073 30 20 IKED COc1ccc(CN(C(=O)CSc2ccccc2C#N)[C@H](C)Cc2cccs2)cc1 439712696 ZCZLTCOOIPOXTR-GOSISDBHSA-N 436.602 5.380 30 20 IKED CCc1c(NC(=O)c2cn(CCCC#N)c3ccccc23)cnn1-c1ccccc1Cl 444408458 AIFDMXJVHWJDGA-UHFFFAOYSA-N 431.927 5.599 30 20 IKED Cc1sc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)nc1-c1c(F)cc(F)cc1F 447478032 AKUTVKUZTMUMTM-UHFFFAOYSA-N 440.406 5.315 30 20 IKED CC(C)[C@@H]1C[C@@H](CNC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccc21 448318926 FVTCDXZSFFOPQP-LQWHRVPQSA-N 435.593 5.063 30 20 IKED Cc1ccc([C@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)s1 461321743 VTRFKELZPNXWHW-HXUWFJFHSA-N 431.590 5.638 30 20 IKED COc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc(OC)c1OC(F)F 463142595 FUUOEURYBCUZFJ-UHFFFAOYSA-N 440.402 5.221 30 20 IKED CSc1ccc(S(=O)(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1Cl 463510109 WXKINSKTLBOLNN-UHFFFAOYSA-N 445.953 5.230 30 20 IKED C[C@@H](C#N)CSc1ccccc1N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O 463927922 USDNGZKXKYPUEM-KXBFYZLASA-N 431.508 5.147 30 20 IKED Cc1nn(C)c(Sc2ccccc2)c1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 464521567 KFSGVYYSYOFPOB-OAHLLOKOSA-N 437.475 5.115 30 20 IKED N#Cc1ccc(OCCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 466108116 PRLAVRPQKKXJTR-QFIPXVFZSA-N 430.895 5.068 30 20 IKED C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C[C@H]1n1ccnc1 469504421 DXEILTUMQXTRJI-HRAATJIYSA-N 435.915 5.315 30 20 IKED Cc1cc(O[C@@H](C)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)ccc1C(C)C 469976086 XZTKDIWXEVXAIR-IBGZPJMESA-N 433.552 5.107 30 20 IKED C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(-c2ccncc2)cc1 470198300 QIQSHLXMCLOEJY-IBGZPJMESA-N 435.552 6.262 30 20 IKED CCOc1ccc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 470547294 CRQRELBKGOKANC-QHCPKHFHSA-N 446.551 5.037 30 20 IKED CCCN(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[C@@H](CC)c1ccccc1 470550048 TZBHXJCNBFWHOH-QHCPKHFHSA-N 432.568 5.665 30 20 IKED CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C#N)cc3)cc2)cc1 474089996 QNGYIACRZZGTEU-UHFFFAOYSA-N 427.504 5.391 30 20 IKED Cc1ccc(C)c([C@H]2CCCN2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 474730325 HTRGKLUFMLQHMK-HXUWFJFHSA-N 449.605 5.688 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC1CCN(C(=O)[C@H](CC)c2ccccc2)CC1 475558687 LHQYJNTWLNOACU-XMMPIXPASA-N 447.623 5.845 30 20 IKED N#CC[C@@H](CC(=O)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1)c1ccccc1 476687884 KPKHZNNUDQLUKF-WMZOPIPTSA-N 439.275 5.646 30 20 IKED CCCOc1ccc(CN(Cc2ccccc2)Cc2nnc(-c3cccc(C#N)c3)o2)cc1 481382518 PBEVDNBERYUUMZ-UHFFFAOYSA-N 438.531 5.599 30 20 IKED Cc1nc(-c2ccccc2)ncc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 484100041 VXPBOCRXVKFZRN-OAHLLOKOSA-N 432.455 5.344 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1cccc(Cl)c1 489628485 VTTPKCLERKZJBJ-MRXNPFEDSA-N 426.973 5.521 30 20 IKED Cc1nc(-c2cccs2)ccc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 491502114 IANYGUOJBCWEQC-UHFFFAOYSA-N 449.586 5.386 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)Nc3cc(C4CCCCC4)[nH]n3)s2)cc1 494504656 AOAAXXXFYRFSDS-UHFFFAOYSA-N 439.570 5.117 30 20 IKED CCn1ncc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1-c1ccccc1 495232830 MUBKIFWDBVDOOX-HNNXBMFYSA-N 434.471 5.462 30 20 IKED Cc1c(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)oc2ccc(Br)cc12 499395408 XVWMVMNBXWGRSD-HNNXBMFYSA-N 448.114 5.261 30 20 IKED CC(C)n1ncc2c(C(=O)N[C@H](C#N)c3ccccc3Cl)cc(-c3cccs3)nc21 499934185 RJOZSRLVZRWIQZ-LJQANCHMSA-N 435.940 5.389 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccc(F)cc1 501215660 DTOLFSSSFBBZDZ-CYBMUJFWSA-N 441.919 5.827 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cnc(-c4ccccc4)s3)c2)cc1 501426307 VSXOSSULFVCHQI-UHFFFAOYSA-N 425.513 5.707 30 20 IKED CCOC(=O)c1cnc(C)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 502210646 CKAWHQBMAIHXTR-OAQYLSRUSA-N 433.895 5.128 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)s2)c(F)c1 502754852 CDJGLMWALMZLCR-CQSZACIVSA-N 429.542 5.510 30 20 IKED Cc1ccc(NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)c(-c2nc3ccccc3[nH]2)c1 504091967 FQXTWUVVRNYQIQ-UHFFFAOYSA-N 432.487 5.156 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@]1(Cc2ccc(Cl)cc2)CCOC1 505296630 ACPCUKHNCUMSQH-AOMKIAJQSA-N 429.973 5.115 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nn1-c1cccc(C#N)c1 505438690 CAWJYHBUIWHFJT-LJQANCHMSA-N 443.919 5.319 30 20 IKED N#Cc1ccc(CC(=O)C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 507020865 CUJZRCPSMUMMDC-UHFFFAOYSA-N 425.538 5.721 30 20 IKED C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 508841589 RUVVALSQNKUHDV-UHFFFAOYSA-N 425.536 5.020 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1-c1ccnn1C 509899404 LJAVZDYNUYNXEE-GOSISDBHSA-N 448.935 5.363 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(Oc4ccncc4)c(Cl)c3)s2)cc1 510072804 VYIWEDGMZZURHX-UHFFFAOYSA-N 446.919 5.699 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 510844348 QVSFPLCSFDPEPG-KCZVDYSFSA-N 436.625 5.503 30 20 IKED Cc1cc(C(=O)Nc2ccc(C#N)cc2Cl)cc(C(=O)Nc2ccc(C#N)cc2Cl)c1 511281073 KOEPTFDMJFLSOH-UHFFFAOYSA-N 449.297 5.550 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(OCc2cccc(F)c2)cc1 517473148 KEWRXQBOCQPCCF-SFHVURJKSA-N 449.551 5.978 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 517780874 JOHZXBHMIVHBQX-FQEVSTJZSA-N 427.932 5.212 30 20 IKED Cc1cc(Br)ccc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 518151791 XHBVKIBSIQBAMA-UHFFFAOYSA-N 443.288 6.034 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 518425277 SSEFDBUFWPAMPN-UHFFFAOYSA-N 443.528 5.548 30 20 IKED Cc1ccnc2sc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c(C)c12 518669035 ZBIIFCMHHHTLSE-UHFFFAOYSA-N 435.496 6.190 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1)c1ccccc1 518806704 NDDHLWPRAIKFPY-UHFFFAOYSA-N 449.913 5.812 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCc2ccc3c(c2)CC(=O)N3)cc1Cl 519106895 HQHBNBZMYZQAKX-QFIPXVFZSA-N 443.934 5.451 30 20 IKED Cc1noc([C@@H]2CCCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2)n1 519992628 AQVAJVBCDYSRRH-YLJYHZDGSA-N 435.915 5.098 30 20 IKED CC(C)CN(C(=O)c1csc(-c2ccc(Br)s2)n1)c1ccc(C#N)cc1 523110910 MILFFNTYBAUGTA-UHFFFAOYSA-N 446.395 5.809 30 20 IKED COc1cccc(N2CC[C@@H](CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)C2)c1 524159836 XLGKYFHVYISTAQ-FQEVSTJZSA-N 442.519 5.007 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(Cc3ccccc3F)CC2)cc1 531520803 CYVKVWXNDYBRFP-UHFFFAOYSA-N 435.543 5.127 30 20 IKED CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 531870340 COGZHWSYXFTUJL-HXUWFJFHSA-N 434.536 5.129 30 20 IKED C=C(C)[C@H](CC(=O)N(CC)[C@@H](c1ccc(Br)cc1)c1cccnc1)OCC 535966130 HVRASGHWPHPTBN-UNMCSNQZSA-N 431.374 5.153 30 20 IKED COc1cccc(CC(=O)N2CCc3ccc(N[C@H](C)c4ccc(C#N)c(F)c4)cc32)c1 537533658 PIEOCRGORCSCHY-QGZVFWFLSA-N 429.495 5.011 30 20 IKED COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2Cc2nnc(-c3ccc(C#N)cc3)o2)c1 543190108 NGUAZYNRZQUBPZ-AOYPEHQESA-N 436.515 5.348 30 20 IKED Cn1ccc([C@@H](NCc2cccc(OCc3cccc(C#N)c3)c2)c2ccc(Cl)cc2)n1 546563003 TZACRGPUFAMGSY-SANMLTNESA-N 442.950 5.403 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N(CCC#N)c3ccc(F)cc3)cc12 551817365 OOXZMVORAKWFIZ-UHFFFAOYSA-N 436.487 5.293 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 554473537 LVNIDJMZBBLMJG-DEOSSOPVSA-N 443.547 5.173 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H]1Cc1cccc(F)c1 563781173 ZZQBLYCLBDIMEK-SGNDLWITSA-N 432.543 5.060 30 20 IKED COc1ccc(-c2nc(Cc3noc(-c4cn(CCCC#N)c5ccccc45)n3)co2)cc1 563919199 XETJCVXPSJQHMH-UHFFFAOYSA-N 439.475 5.249 30 20 IKED N#Cc1ccc(N2CC[C@H](c3nc(C4(c5cccc(C(F)(F)F)c5)CC4)no3)C2)c(F)c1 574961729 QMWHZGNMUHAQTR-HNNXBMFYSA-N 442.416 5.173 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(SCc2csc(C)n2)cc1 575891775 PQZHHFQILBJGSL-UHFFFAOYSA-N 440.638 5.740 30 20 IKED Cc1[nH]c2ccccc2c1C1=CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 578266850 IHHOPZNGLUYBNT-UHFFFAOYSA-N 449.514 5.857 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCn2c(cc3c(Cl)cccc32)C1 579823447 ZHAAYKASCMRAGT-INIZCTEOSA-N 438.984 5.001 30 20 IKED C[C@@H]1CCC[C@@H](OCCCCCC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)C1 581267539 KOMIHGJBSUKDBT-DENIHFKCSA-N 430.564 5.223 30 20 IKED N#Cc1ccc(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c(C(F)(F)F)c1 589517689 GEICSRQKJJPODM-HXUWFJFHSA-N 442.403 5.853 30 20 IKED C=C(C)COc1cccc(NC(=O)NCc2ccc(Oc3c(OC)cccc3OC)nc2)c1 589739262 MBFZIEGDCHIQIJ-UHFFFAOYSA-N 449.507 5.168 30 20 IKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(O[C@@H](C)c2ccccc2)cc1C 590367384 IRDCDMMGMVXOOF-IBGZPJMESA-N 434.561 5.350 30 20 IKED Cc1cccc(-c2nc(CC(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cs2)c1 603765517 WTSKWMIOQVQELK-UHFFFAOYSA-N 426.501 5.359 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1 606588447 WGYBMRKHLDFGOV-UHFFFAOYSA-N 442.562 5.164 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCCC[C@H]2c2ccc(CC)o2)cc1 606942758 YRNGLGIGUJMPLE-QHCPKHFHSA-N 435.568 5.805 30 20 IKED Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)c2)n1 609063912 MRQFKTXTNILWAH-UHFFFAOYSA-N 436.515 5.251 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(F)ccc1Cl 609379051 PFLDBTATAPKDNJ-UHFFFAOYSA-N 438.855 5.304 30 20 IKED Cc1ccc(NC(=O)[C@H](C)Nc2ccccc2SC[C@H](C)C#N)c(Br)c1 609387013 FTCRWUICKDRRCH-CABCVRRESA-N 432.387 5.448 30 20 IKED N#Cc1ccccc1N1CCCN(C(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)CC1 609429430 UCPZQIJZBFEGSA-UHFFFAOYSA-N 448.526 5.233 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 609517980 LSRVJGTZWWXAAY-UHFFFAOYSA-N 425.488 5.504 30 20 IKED CCc1c(C)sc2nc(S[C@H](C#N)C3CCCCC3)n(C[C@@H]3CCCO3)c(=O)c12 609648498 NOGJEBSYPUYSBP-FUHWJXTLSA-N 431.627 5.072 30 20 IKED CCCC(=O)Nc1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1C 609725096 DJUXFKFERIYNBU-UHFFFAOYSA-N 447.922 6.303 30 20 IKED CCN(C(=O)c1csc(-c2ccc(Br)s2)n1)[C@@H](C)c1ccc(C#N)cc1 609967754 DQLQSGNRIUQTQI-LBPRGKRZSA-N 446.395 5.729 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)N(C)Cc1cccc(C#N)c1 610019940 ZQOZGWXLBIFCCK-UHFFFAOYSA-N 427.483 5.223 30 20 IKED C[C@]1(C#N)CCCN(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)C1 612300467 GAPRMTRKBHWUBS-OAQYLSRUSA-N 448.420 5.254 30 20 IKED C=CCN(C(=O)[C@@H](C)OCCOCC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 615925680 WAVNWHALGLQTBD-CYBMUJFWSA-N 429.369 5.078 30 20 IKED CCCOc1ccccc1Oc1ncccc1CNC(=O)N[C@H]1CCc2cc(C#N)ccc21 618808311 QCTQPSUTIRXLMK-QFIPXVFZSA-N 442.519 5.021 30 20 IKED C[C@@]1(C#N)CCCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2ccccc2)C1 619819091 DFINVHWWLBAPOX-QHCPKHFHSA-N 438.000 5.402 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2c(C(C)C)noc2n1 620347549 MZFPYXZILKURMM-ZDUSSCGKSA-N 444.438 5.773 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCS[C@H](c2ccccc2)C1 670228185 HGOJAXYXDGDSRB-HJOGWXRNSA-N 446.620 5.394 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@H]1CCCc2ccc(F)cc21 684363438 QMMKLJCCVOIEIZ-HSMVNMDESA-N 426.376 5.412 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 685540121 MFFCXCHNVOGKHW-WZONZLPQSA-N 442.567 5.005 30 20 IKED C=CCn1c(SCC2CCN(C(=O)OC(C)(C)C)CC2)nnc1-c1ccccc1F 726430188 QGLRXBHXFWJDRF-UHFFFAOYSA-N 432.565 5.009 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Oc2ccccc2OCC(F)(F)F)cc1C 727641119 UNMWJLFPUJJDBV-UHFFFAOYSA-N 443.425 5.241 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)c3ccc(CNC(=O)OC(C)(C)C)cc3)c2C#N)C1 727949257 OIBQZEZPUIVAMS-AWEZNQCLSA-N 425.554 5.022 30 20 IKED Cc1csc(SCc2ccccc2C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)n1 729417553 OHANKKHEPLAWPT-UHFFFAOYSA-N 449.601 5.299 30 20 IKED Cc1c(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)oc2ccc(Cl)cc12 731064487 RFVCJHJWNPRAJV-ZDUSSCGKSA-N 442.924 5.442 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2ccc(Cl)cc2[nH]1 731072998 HDNYVYJPJNJSGB-ZDUSSCGKSA-N 427.913 5.011 30 20 IKED N#CCOc1ccc(CC(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 731958076 HIVLWTXMBFLUHE-JOCHJYFZSA-N 443.934 5.214 30 20 IKED Cc1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)ccc1N1CCSCC1 731983508 DKUTVIRECKBEAM-UHFFFAOYSA-N 443.572 5.659 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3COc3ccc(Cl)cc3)cc2)nc1 732058496 ZRFJPIVFXMPRSY-HXUWFJFHSA-N 433.895 5.083 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Cc2coc3cc(C)c(C(C)C)cc23)ccc1OC 733229093 WWTVZOZURPQRKU-HXUWFJFHSA-N 434.536 5.413 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(C)CCc2ccc(Cl)cc2)c1=S 733301041 WFUIGHIJYXCOFR-UHFFFAOYSA-N 428.989 5.061 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(OC(C)C)c(Cl)c2)ccc1OC 733620674 YGOCCUPZTVTZDJ-KRWDZBQOSA-N 431.920 5.138 30 20 IKED Cc1ccc([C@H]2CCC[C@@H]2OC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 734089737 VWWWFXGDOONYOB-IRLDBZIGSA-N 445.519 5.211 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)c1 734995018 YZXSUWFQNYSLGM-UHFFFAOYSA-N 431.835 5.101 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=S)Nc1ccc(OC(F)F)c(Cl)c1 735626755 ITYAQMMZGHTMED-NSHDSACASA-N 427.929 6.145 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)CCc3c(-c4ccc(F)cc4)[nH]c4ccccc34)[nH]c12 735793527 UYQKYHKZSCANID-NRFANRHFSA-N 436.490 5.968 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccccc2Nc2cccc(OC)c2)ccc1OC 736562814 ZWDGVTXVFVNLSK-FQEVSTJZSA-N 445.519 5.058 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CCSC[C@H]2c2ccc(Cl)cc2)c1=S 738256422 TXBSYFGRAKWWIT-IBGZPJMESA-N 444.029 5.063 30 20 IKED C[C@@H](CC(=O)O[C@H](C)C(=O)N(CCC#N)c1ccccc1)c1cccc(C(F)(F)F)c1 738740574 AZUIWQBOWZRIGF-DLBZAZTESA-N 432.442 5.078 30 20 IKED COC(=O)[C@@H](OC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)c1ccc(C#N)cc1 740237390 HCBJRRIDZSPPIQ-KRWDZBQOSA-N 447.299 5.060 30 20 IKED CC(=NNc1ccc(Cl)cc1Cl)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741755860 KDWQEIWTZHXGBX-UHFFFAOYSA-N 425.259 5.166 30 20 IKED COCCOc1ccc(C(=O)/C=C\c2ccc(Br)cc2Cl)cc1OC 742432601 CNTOUBRYFCDFKP-DAXSKMNVSA-N 425.706 5.032 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=S)Nc2cccc(Br)c2)cc1F 743036507 NBDSDUCPGHGELI-UHFFFAOYSA-N 442.313 6.061 30 20 IKED CC(C)(C)c1ccc(CCCCC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1 743732630 FYAOVEDIFVRFTC-UHFFFAOYSA-N 433.596 5.168 30 20 IKED C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 743971284 AXZBWNLKQHZSDV-FMNCTDSISA-N 441.506 5.029 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3ccc(Oc4ccc(F)c(F)c4)cc3)o2)cc1 745008885 QCUQDSLPPXCESI-UHFFFAOYSA-N 433.370 5.036 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(-c2ccncc2)cc1 746424646 FHQIFZWVNPRTGG-DCFHFQCYSA-N 432.527 6.287 30 20 IKED N#C[C@H](COC(=O)c1oc2ccccc2c1CSc1ncccn1)Cc1ccccc1 750782606 BVQZUOQFNBAFDN-GOSISDBHSA-N 429.501 5.054 30 20 IKED COc1cccc(/C(C)=C\C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 751825462 AEXKDLNTTUMXJY-BBXQBHCASA-N 426.472 5.238 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)CSc3ccc(F)cc3)n2)cc1 756241329 CPCLTLWDTMBXGO-IFXJQAMLSA-N 426.538 5.562 30 20 IKED CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)C1 759220201 BZJZAPOHOOJLSA-UKRRQHHQSA-N 433.961 5.163 30 20 IKED CC(C)Cc1ccc([C@H](C)C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 759427284 WELPIPKTKIDOGB-KXBFYZLASA-N 433.577 5.454 30 20 IKED CC(=O)Nc1ccc(C(C)=NOCC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)cc1 762688849 TUNMUOMRZRABER-NRFANRHFSA-N 448.350 5.056 30 20 IKED N#Cc1ccc([C@@H](O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)cc1 763230983 FDQVQXKKOZPROF-QFIPXVFZSA-N 446.963 5.344 30 20 IKED N#C[C@@H](C(=O)CN(Cc1ccccc1)Cc1ccccc1)c1nc(-c2ccncc2)cs1 766626144 SQUFJEARIJMOMJ-QHCPKHFHSA-N 438.556 5.084 30 20 IKED C[C@@H](CCC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)NC(=O)OC(C)(C)C 774051501 BCJQGJZDLGONKK-AAEUAGOBSA-N 441.475 5.185 30 20 IKED N#Cc1cccc(C2(NCC(=O)Nc3c(Cl)c(Cl)cc(Cl)c3Cl)CC2)c1 775428263 BREGHZYVLNTEKZ-UHFFFAOYSA-N 429.134 5.389 30 20 IKED CCN(C(=O)Nc1cccc(OCC#N)c1)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 775511956 FUWAWJAYAOQZNR-IBGZPJMESA-N 429.520 5.880 30 20 IKED Cn1cc(CNc2ccc(N3CCc4sccc4C3)cc2)c(-c2ccc(C#N)cc2)n1 778103212 OJHIMWLKKCNZBC-UHFFFAOYSA-N 425.561 5.195 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 780149780 FLGBXVCRVMUYQB-AWEZNQCLSA-N 438.281 5.180 30 20 IKED Cc1cc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1OC(C)C 785007059 OTYGFROKSCKISQ-QHCPKHFHSA-N 427.504 5.015 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(OC(F)(F)Cl)cc1 786302866 CYJZTYDPXUDNPE-CQSZACIVSA-N 446.809 5.130 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3c(Cl)ccc(Cl)c3Cl)ccc21 787527040 ZYMQTWDVPZFZMH-UHFFFAOYSA-N 436.726 5.482 30 20 IKED C[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccc(Br)cn1 792954999 SETXSZRDPLCUBX-CYBMUJFWSA-N 441.354 5.005 30 20 IKED C[C@@H]1CN(c2ccc(NC(=O)c3cc(C#N)ccc3Cl)cc2C(F)(F)F)C[C@@H](C)O1 796093159 INUMRLBVWXIIIV-CHWSQXEVSA-N 437.849 5.096 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)c1cc(C(F)(F)F)ccn1 813215628 IUKZXDSQUFZYCZ-BDTNDASRSA-N 436.433 5.659 30 20 IKED CSc1nc(C2CC2)cc(-c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)c1C#N 904508111 ORKGFFVZZDXXQW-UHFFFAOYSA-N 445.479 5.596 30 20 IKED N#C[C@@H](C(=O)[C@H]1Cc2ccccc2C(=O)O1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103576 YKLBDIGLRKCSNH-MAUKXSAKSA-N 443.311 5.075 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC 916882332 BOYQOTTWEGPKAW-MRXNPFEDSA-N 435.307 5.142 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(NC(=O)C(C)(C)C)cc2C)cc1 916954888 LHEWFGUKNVUYSU-KSSFIOAISA-N 439.581 5.516 30 20 IKED N#C[C@@H](C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1nc2cc(Cl)ccc2s1 917043767 NBQUMKPDGNPCMX-AIADIJKESA-N 449.963 5.078 30 20 IKED Sc1nnc([C@H]2CCCO2)n1N=Cc1c(Cl)cccc1OCc1ccccc1Cl 917543939 UHRZPNCVBHOIKH-GOSISDBHSA-N 449.363 5.186 30 20 IKED Cc1cc(-n2c(C)cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)c2C)no1 919893650 NOIBGKLTJSQDSS-UHFFFAOYSA-N 426.476 5.615 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)OC[C@H](C#N)Cc1ccc(F)cc1 920876614 NSSDUSOPZJFGOJ-INIZCTEOSA-N 440.471 5.126 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)Cn3ccc4c(F)cccc43)cc2)CCC1 1786107649 JLJIHKJZGWKVDF-GOSISDBHSA-N 433.527 5.127 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](CC)N(CC)CC)cc2)CCC1 1786450371 AYVRMIUDMTVOSF-DHIUTWEWSA-N 425.617 5.009 30 20 IKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4cccs4)cc3)CCC2)c1 1787272895 IDRXNIJRCLZWNR-UHFFFAOYSA-N 429.545 5.000 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)Cc3c[nH]c4ccc(C)cc34)CC2)C1 1805451735 FIUHZSJBJJAVTF-UHFFFAOYSA-N 447.623 5.018 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823214338 BVZHFYGKRJPGLU-JMUQELJHSA-N 445.567 5.111 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccc(C)cc4s3)CC2)C1 1823701912 UFRJGUIQAJFRNL-QFIPXVFZSA-N 436.621 5.409 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 1823752077 KTXBSNAPAXEWNL-DEOSSOPVSA-N 435.612 5.394 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)c2cccs2)CC1 1829071728 YDNISSDUTUMQGM-CTNGQTDRSA-N 430.658 5.464 30 20 IKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)c(Cl)c1 1830016865 NEDUZIWIPQZAQR-DEOSSOPVSA-N 449.982 5.067 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3cccnc3)cc2)CC1 1830452336 WFUQDHLKKPEFSZ-LVXARBLLSA-N 445.607 5.194 30 20 IKED CC1=CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)CC1 1832632451 QZGDUHPSNUTMNN-RZPFDVGOSA-N 447.623 5.293 30 20 IKED CC[C@H](C)[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C#N)CCC2)CC1)c1ccccc1 1832784154 VPBJGJRPIVUQFC-TUSQITKMSA-N 449.639 5.130 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2SC)nc2cc(Cl)ccc2c1=O 9085645 LBYSIFIUWYMWHO-ZDUSSCGKSA-N 445.997 5.077 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccccc1)=C(/S)Nc1cccc(Br)c1 11084596 YONWBAPPWAIYQB-UHFFFAOYSA-O 440.386 5.350 30 20 IKED Cc1ccccc1N/C(S)=C(/C(=O)c1ccc2c(c1)CCC2)[n+]1ccc2c(c1)CCCC2 11168499 BEPUPRKHASSTHM-UHFFFAOYSA-O 441.620 5.701 30 20 IKED C[C@H](Sc1ncnc2scc(-c3ccc(F)cc3)c12)C(=O)Nc1ccccc1C#N 11498420 GEXPMBCRESJLMB-ZDUSSCGKSA-N 434.521 5.488 30 20 IKED Cc1c(Cl)cccc1Nc1nnc(SCC(=O)Nc2ccc(CC#N)cc2)s1 16323849 DTNHVJPIJDVZMD-UHFFFAOYSA-N 429.958 5.040 30 20 IKED N#Cc1ccc(-n2c(SCc3nc4ccccc4s3)nc3ccccc3c2=O)cc1 58453371 HASBCDHQOJYJMB-UHFFFAOYSA-N 426.526 5.159 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ncc(-c3ccccc3)o2)cc1 60627656 SJNZDMZJQZBUCC-UHFFFAOYSA-N 425.513 5.436 30 20 IKED C=CCc1cc(CNC(=O)Nc2ccccc2SCC(F)(F)F)cc(OC)c1OC 65367057 BKLQAEVASRQIHS-UHFFFAOYSA-N 440.487 5.408 30 20 IKED COc1ccc(/C=C\C(=O)c2ccc(N3CCC(O)CC3)cc2)cc1OCc1ccccc1 209878402 UBWKNOFRSRGZMZ-QPEQYQDCSA-N 443.543 5.131 30 20 IKED COc1cc([C@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)cc(OC)c1OC 237397182 MINBSERGOUNPRL-SFHVURJKSA-N 432.520 5.014 30 20 IKED C=CCCc1ccccc1NC(=O)c1ccccc1SCC(=O)Nc1ccc(C)cc1 410383534 PISGZLGYMPPGHM-UHFFFAOYSA-N 430.573 6.097 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4ncc5n4CCCC5)CC3)cc2)cc1 433235448 NRVMDCUGTVPLJT-UHFFFAOYSA-N 441.535 5.295 30 20 IKED COc1c(C)ccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C 437547864 JYWPSCOHIOKDTA-FQEVSTJZSA-N 447.922 5.198 30 20 IKED Cc1cccc2oc(CCNC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)nc12 437962689 YPAGXPWCCOVKFI-UHFFFAOYSA-N 444.466 5.090 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1ccc(Oc2cccc(F)c2)cc1 439565579 BFPLHZHYFSPXJT-SFHVURJKSA-N 433.483 5.374 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1ccc2ncccc2c1)c1ccc(C(F)(F)F)cc1 442044623 BQCNBMIERZPIKT-HXUWFJFHSA-N 427.426 5.016 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(C)(C)c1csc(-c2cccs2)n1 443535885 VMENJLUPRGVXFF-CQSZACIVSA-N 427.620 6.040 30 20 IKED CN(C(=O)c1ccc(C#N)[nH]1)[C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 443804673 SJLKMSVSMMMZED-IBGZPJMESA-N 428.717 5.164 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N(C)CC(=O)Nc2ccccc2SCC#N)cc1 444222701 HEMBTMXUVPWTST-LJQANCHMSA-N 445.588 5.609 30 20 IKED Cc1ccc2nc([C@H]3CCCN(C(=O)c4cn(CCCC#N)c5ccccc45)C3)[nH]c2c1 444340864 RMNAOWCBGKGMKS-IBGZPJMESA-N 425.536 5.150 30 20 IKED Cn1ncc(NC(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1C(F)(F)F 445031893 KVVMRVDOLJRCGZ-SNVBAGLBSA-N 448.289 5.273 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccccc2CC(F)(F)F)c1 460463898 YSUPTIMPRHPFBP-UHFFFAOYSA-N 430.813 6.361 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 460567545 YGKPJEBSKWITNK-LRSLUSHPSA-N 426.630 5.210 30 20 IKED C=CCC[C@@H](NC(=O)c1c(Cl)cccc1I)c1ccccc1 464409974 ZEBNNTZPXOXLNH-MRXNPFEDSA-N 425.697 5.382 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(F)c(Br)cc3Cl)cc2)nc1 466464660 SDQPRTKOXHXGAJ-UHFFFAOYSA-N 446.663 5.553 30 20 IKED C=CCn1c(SCCOc2ccc(OC(F)(F)F)cc2)nnc1-c1ccoc1C 466610704 RACAJMWESGUCBV-UHFFFAOYSA-N 425.432 5.102 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NCC(=O)Nc1ccc(CC#N)cc1 467259088 SOMQIYYBJNHYIB-UHFFFAOYSA-N 432.911 5.017 30 20 IKED CSc1nc(C2CC2)nc(C)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 468438604 MGRLIRAXRRBQSX-LJQANCHMSA-N 448.979 5.946 30 20 IKED C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1nc(Cc2ccc(Cl)cc2)no1 469322133 ZIOQHRDHEWAFED-INIZCTEOSA-N 449.942 5.070 30 20 IKED CC(C)=CCSc1ccccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470772281 JQNUTUZHTDPDTK-UHFFFAOYSA-N 433.577 5.580 30 20 IKED C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NCc1nnc(-c2ccc(C#N)cc2)o1 471620928 UXEVTLUCEAXNAM-IYBDPMFKSA-N 449.942 5.277 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1 472818920 ODECHQSHHGDWNV-HKUYNNGSSA-N 430.529 5.145 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N2CCC[C@@H]2c2ccccc2I)cc1 476055032 UYKZKVBFZPPNIA-LJQANCHMSA-N 444.316 5.070 30 20 IKED N#Cc1cc(NC(=O)C(=O)N[C@H](c2ccccc2)c2cccc3ccccc23)ccc1Cl 478843456 YOIHFCDRRHOXGQ-XMMPIXPASA-N 439.902 5.209 30 20 IKED N#CCN1CCC[C@@H](CNC(=O)[C@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)C1 479893697 AVWBHXNSADLFHT-HRAATJIYSA-N 448.419 5.179 30 20 IKED Cc1ccc2c(N[C@@H](C)c3ccc([S@@](C)=O)cc3)c(C#N)cnc2c1Br 480088718 AJZFNDSOMSDROT-WHDAMIPWSA-N 428.355 5.088 30 20 IKED Cc1c(C(F)(F)F)nn(C)c1NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 480107413 WSBRPUSTAVKBDS-NSHDSACASA-N 448.289 5.191 30 20 IKED COc1ccc([C@H](NCc2ccc(C#N)cc2Br)c2ccc(F)cc2)cc1 481092331 MMIOPPUUYZWZMI-JOCHJYFZSA-N 425.301 5.348 30 20 IKED CC(C)CN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H]1CCCc2cccnc21 481339859 NMJHPPVYXWQZOL-UGKGYDQZSA-N 436.625 5.307 30 20 IKED N#C[C@@H](C(=O)c1ccc(COc2cccc(Br)c2)o1)c1cnc2ccccc2n1 483189741 CHKOTOZMMQSUEW-QGZVFWFLSA-N 448.276 5.054 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccccc2)o1)c1nc(O)c2c3c(sc2n1)CCCC3 484540258 CYWYUQZFVCCBHI-OAHLLOKOSA-N 431.473 5.151 30 20 IKED CC[C@H](C)n1ncc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C 485097796 XYXABXDKVKZOQQ-YWZLYKJASA-N 449.942 5.049 30 20 IKED CCc1ccc([C@H](NCc2ccccc2C(C)(C)C#N)c2cccc(S(C)(=O)=O)c2)cc1 486547278 HGRDGBJOGRSKLX-SANMLTNESA-N 446.616 5.333 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 493668031 ZXQFGMUJZGNDHD-OAHLLOKOSA-N 432.998 5.893 30 20 IKED CC(C)Cn1cc(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cn1 496326632 LFHCBFOBRJQLER-UHFFFAOYSA-N 448.474 5.121 30 20 IKED C=CCc1cc(CNC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)cc(OC)c1OC 497445328 WONIPFBPYIOAEF-WOJBJXKFSA-N 448.588 5.408 30 20 IKED CCCCN(C(=O)c1sccc1C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 497980432 HHUUBAAWQRTJAY-UHFFFAOYSA-N 436.389 6.497 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 498296857 VRLUGMIEDHSKPB-GFCCVEGCSA-N 437.721 5.167 30 20 IKED C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1nc(-c2ccncc2)cs1 498477238 YLJXIBZAWUYQMM-INIZCTEOSA-N 442.569 5.719 30 20 IKED N#Cc1ccc(N2CCC[C@@H](N[C@H](c3cccnc3)c3cc4ccccc4o3)C2)c(F)c1 498934668 SNFIEROEJDCGTF-QFQXNSOFSA-N 426.495 5.187 30 20 IKED Cc1nc([C@@H]2CCCOC2)sc1C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 498948989 SHYSIEOCXWMKDN-OPAMFIHVSA-N 431.561 5.375 30 20 IKED C=CCC[C@H](NC(=O)N1CCn2c(nnc2C2CCCC2)C1)c1ccc(C(F)(F)F)cc1 500103294 CFWFDDUKUBJPFX-IBGZPJMESA-N 447.505 5.187 30 20 IKED CCCOc1ccc(-c2nc(C(=O)Nc3nc(C)c(SCC#N)s3)cs2)cc1 504763152 UBYGYWFTJRVOGK-UHFFFAOYSA-N 430.580 5.232 30 20 IKED CC(C)N(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1ccc(Cl)c(Cl)c1 505061797 ZDVLSQSUZLULJE-UHFFFAOYSA-N 439.364 5.126 30 20 IKED N#C[C@H](NC(=O)CSCc1coc(-c2ccccc2)n1)c1c(Cl)cccc1Cl 505508720 ZTGZIPXAUSXZBH-KRWDZBQOSA-N 432.332 5.263 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)c2)cc1 506664028 UPLVXYJCCRVEST-UHFFFAOYSA-N 425.463 5.013 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 507829283 IXOQQCVYDGOOCJ-QGZVFWFLSA-N 431.492 5.197 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCCC[C@@H]1Cc1ccccc1Cl 508426214 QCRABYRPIBLMRI-OAQYLSRUSA-N 426.992 5.014 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 508740650 QZPOIUQAFZRRDX-SFHVURJKSA-N 447.514 5.016 30 20 IKED CCN(C(=O)c1cccc(C#N)c1C)[C@@H](c1ccc(Br)cc1)c1cccnc1 509452083 KNAXOIUMORWDGP-QFIPXVFZSA-N 434.337 5.276 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N[C@@H](C[C@H]3CCOC3)c3ccccc3)c2)cc1 510053063 CVEJHCMJZAABKW-GJZUVCINSA-N 426.516 5.035 30 20 IKED N#Cc1c(F)cccc1-n1ccc(NC(=O)c2ccccc2SCc2cccs2)n1 511739918 JMLPXRKAFREKNY-UHFFFAOYSA-N 434.521 5.489 30 20 IKED CCCN(CC)C(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 511763806 VHCUNMBUYFTLGV-NRFANRHFSA-N 431.561 5.481 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)c12 513211369 XRRXOLDTSVCLMW-INIZCTEOSA-N 441.457 5.276 30 20 IKED N#Cc1cccnc1Oc1ccccc1NCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 515446302 CDSKVRIWWJQWGJ-UHFFFAOYSA-N 446.816 5.468 30 20 IKED Cn1ccnc1COc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 515681720 FMKCUWUKYDYXCT-UHFFFAOYSA-N 440.528 5.274 30 20 IKED CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)Cc1ccc(Br)cc1C#N 516438270 LTBQQVIUUXNACV-UHFFFAOYSA-N 445.748 5.435 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NC[C@H](c3ccco3)N3CCCCC3)c2)cc1 517900941 BAFNDGGXIMTGLO-HSZRJFAPSA-N 430.508 5.292 30 20 IKED CC1(C)CC(=O)c2sc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)nc2C1 518387908 ORMYLDMJFJIYSA-UHFFFAOYSA-N 431.517 5.409 30 20 IKED COc1cccc(CO[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 518668848 PNKXYXCFEMMYNS-CQSZACIVSA-N 438.471 5.264 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCc4sccc4[C@@H]3c3cccs3)cc2)nc1 521085785 BKBWBUHRJTVACB-HSZRJFAPSA-N 443.553 5.656 30 20 IKED Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 521748028 IWNDKGHQDUCIGS-SJLPKXTDSA-N 443.016 5.548 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccccc2N2CCCC2=O)c1 522573437 UZICPYURRBDNGF-UHFFFAOYSA-N 431.879 5.383 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 523506360 MLMFKBXCWHIMJA-UHFFFAOYSA-N 429.476 5.270 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H]3CCC[C@H]3c3ccccc3)s2)cc1 523632058 VHQTVTJCLIECFY-RBUKOAKNSA-N 435.578 5.160 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C 524345254 CECQKPRRXIRZIQ-LBPRGKRZSA-N 448.832 5.037 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccccc1O[C@@H](C)c1ccccc1 524551483 JODSVNYAADTPNS-IBGZPJMESA-N 432.495 5.119 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](COc2ccccc2Cl)C1 533139032 HYYPSDZLTSMSCJ-ZWKOTPCHSA-N 444.000 5.915 30 20 IKED C[C@@H](NCCNC(=O)c1c(F)cccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 539078784 UBKZGCNIJMSTSG-SNVBAGLBSA-N 440.334 5.083 30 20 IKED COc1cccc([C@H]2CN(C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CCO2)c1 543942421 KXGCVLNSAJFTGB-NIYFSFCBSA-N 441.531 5.078 30 20 IKED CC(=O)Nc1ccccc1-c1noc(-c2ccc(Oc3ccccc3C#N)c(Cl)c2)n1 546252354 XPPSRKYWYOCJQJ-UHFFFAOYSA-N 430.851 5.679 30 20 IKED COc1cc(CNC(=O)Nc2ccc(F)cc2C(F)(F)F)ccc1OCC(F)(F)F 551395945 YLUNGIRMXZSDRZ-UHFFFAOYSA-N 440.315 5.116 30 20 IKED C=C(C)CN1CCC(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CC3)CC1 552492771 BVNLOJZGHQKHTG-KNTRCKAVSA-N 427.548 5.085 30 20 IKED Cc1cc(Br)cc(C)c1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 558289577 ZDKNTMJNTLTCFT-UHFFFAOYSA-N 446.320 5.152 30 20 IKED CCN(C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[C@H](C)Cc1ccc(OC)cc1 565921767 ICILZYNMRONXDG-GOSISDBHSA-N 430.508 5.239 30 20 IKED Cc1ncc2n1CC[C@@H](C(=O)Nc1ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c1)C2 589434412 ZAWXEMFQOVKLEY-OAHLLOKOSA-N 440.425 5.075 30 20 IKED N#Cc1c(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)sc2c1CCCC2 594739742 LPBPAMVVVOWWEZ-UHFFFAOYSA-N 442.544 5.066 30 20 IKED C[C@H](NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1)c1ccc(C#N)cc1 603510454 UXFURGSZJXVIEQ-SFHVURJKSA-N 447.498 5.102 30 20 IKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NCCSCc1ccccc1C#N 603695464 CAVSPIVNKAIQIQ-UHFFFAOYSA-N 444.560 5.174 30 20 IKED C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Sc1ccccc1)c1ccc(C#N)cc1 603720313 JMLWUQINPNQHES-HNNXBMFYSA-N 435.936 5.179 30 20 IKED CCc1cc(C#N)c(NC(=O)c2ccc(C(=O)Nc3sc(CC)cc3C#N)s2)s1 604029392 YTOZTVNTYXFRHR-UHFFFAOYSA-N 440.575 5.244 30 20 IKED COc1cc(F)c(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(F)c1 608850772 KSYVDDGLXGJMFA-QGZVFWFLSA-N 448.878 5.083 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(C(=O)Nc4ccccc4)cc3)o2)cc1 609059836 XJJNYJGNSMMCFA-UHFFFAOYSA-N 437.455 5.235 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCCc1nc2ccccc2s1 609061994 QBGFQZUXQAHETR-UHFFFAOYSA-N 441.556 6.017 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1CCc1ccccc1 609079199 OLLHZQMTLCFWRC-RUZDIDTESA-N 439.559 6.075 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 609382820 TZJISBNAVCDBMA-SGTLLEGYSA-N 431.970 5.033 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N(Cc3ccco3)C3CCCC3)c2)c1 609469014 GUSRAZRHFKTMRF-UHFFFAOYSA-N 428.492 5.380 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N(Cc3ccccc3)CC3CCOCC3)c2)cc1 609555333 FJEDLKDCJCRFES-UHFFFAOYSA-N 441.531 5.811 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N3CCC(c4nc(-c5ccccc5)no4)CC3)c2)cc1 609988230 RAHGWYRKJXAVQT-UHFFFAOYSA-N 449.514 5.372 30 20 IKED N#Cc1cn(CCCc2ccc(C(F)(F)F)cc2)c2ccc(Br)cc2c1=O 610510089 QJMKZLMMMXQZHO-UHFFFAOYSA-N 435.243 5.287 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)cc1 611261850 KFZCPGGSQOXQIZ-UHFFFAOYSA-N 448.469 5.450 30 20 IKED C=CCc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(OC)c1OC 613320263 VTBIMPRFPNBLMB-SFHVURJKSA-N 438.936 5.699 30 20 IKED C=CCn1c(C)cc(C(=O)Cc2nc(O)c3c(-c4ccc(C)cc4C)csc3n2)c1C 614109105 SKWZISSCSPOZAL-UHFFFAOYSA-N 431.561 5.710 30 20 IKED CCCc1c(NC(=O)N2CCS[C@@H](c3ccccc3)C2)cnn1-c1cccc(C#N)c1 615268547 BXDOVDIZUIQTRT-HSZRJFAPSA-N 431.565 5.018 30 20 IKED CCCOc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 618045027 UHPLHWZUXJSOPP-UHFFFAOYSA-N 429.476 5.136 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)s1 684675186 JTJDIXKZDCYEOC-CYBMUJFWSA-N 435.496 6.073 30 20 IKED CCN(Cc1cccc(NC(=O)CSc2ccc(C#N)cc2)c1)C(=O)OC(C)(C)C 728515496 DLWAWZXMJARVNS-UHFFFAOYSA-N 425.554 5.046 30 20 IKED COC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 728765537 MJOHYALZZBRQIK-NFQTVLRUSA-N 435.549 5.279 30 20 IKED O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1ccccc1SC(F)(F)F 729382449 KJKNFAVEUVVTOR-UHFFFAOYSA-N 428.329 5.225 30 20 IKED N#CCOc1ccc(CNC(=O)[C@@H](Oc2cccc(Cl)c2Cl)c2ccccc2)cc1 730218037 FQSNPVZOYUDQQZ-QFIPXVFZSA-N 441.314 5.332 30 20 IKED N#CCOc1ccc(CC(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 731957326 WFLOTHNDDMUPDP-UHFFFAOYSA-N 425.513 5.561 30 20 IKED N#C[C@@H](C(=O)[C@@H](c1ccccc1)N1CCCCC1=O)c1nc(-c2ccc(Cl)cc2)cs1 733679995 RIGPSVFUMKGPQW-SIKLNZKXSA-N 449.963 5.394 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CCOc3ccc(Cl)cc3C2=O)cs1 733748730 HZXZBZCVUWEGAM-GXDHUFHOSA-N 442.899 5.669 30 20 IKED C=CC[C@H](NCc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1)c1ccncc1 734510161 RVGIAGQUPBZJGF-QFIPXVFZSA-N 443.374 6.383 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)C(C)(C)Sc2ccc(Br)cc2)c1 736018342 APOFVPRBFUPZEM-QGZVFWFLSA-N 447.398 5.317 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2ccccc2Nc2cccc(OC)c2)ccc1OC 736562872 ZWDGVTXVFVNLSK-HXUWFJFHSA-N 445.519 5.058 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)CSc3ccc(C(F)(F)F)cn3)c2)s1 739595934 OBIVFYSNEHSAGM-UHFFFAOYSA-N 433.480 5.109 30 20 IKED COc1cc(COC(=O)[C@@H](SC)c2ccccc2)ccc1OCc1cccc(C#N)c1 740358047 KUHBQWWYNLMMJR-DEOSSOPVSA-N 433.529 5.293 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C 743103049 PNFWVAOWMNJUGL-UHFFFAOYSA-N 432.455 5.434 30 20 IKED CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccccc1SC[C@H](C)C#N 743152369 UDWLCWRGWRYXSN-CQSZACIVSA-N 448.386 5.460 30 20 IKED Cc1ccc(C(C)(C)CN(C)C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 743957019 YJMNQNIWEVUVOE-RUZDIDTESA-N 439.559 5.025 30 20 IKED N#C[C@@H](C(=O)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1)C(=O)N1CCCC1 744024412 VQEQDOZRCYFQIW-IBGZPJMESA-N 433.360 5.231 30 20 IKED COc1ccc(CNC(=O)N[C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)cc1C#N 747402637 JSWUQICIIGCPQH-AWEZNQCLSA-N 440.956 5.213 30 20 IKED O=C1NC(=Nc2cccc(C(F)(F)F)c2)S/C1=C\c1cnc(-c2ccncc2)s1 753135355 OTHSVWGDVFYGAZ-DHDCSXOGSA-N 432.452 5.116 30 20 IKED N#CCCCOc1cccc(/C=C2\COC/C(=C\c3cccc(OCCCC#N)c3)C2=O)c1 759611164 AWAKNHSWMPOHOW-DFEHQXHXSA-N 442.515 5.118 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)Nc3ccc4cc(Br)ccc4c3)CCO2)c1 761873695 KWJGIFDFXCMEFD-NRFANRHFSA-N 436.309 5.079 30 20 IKED CC(C)c1cc(Br)ccc1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 761892347 TTYDQRRJNFMLKE-HXUWFJFHSA-N 428.330 5.050 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)Cn1nc(-c2ccco2)n(Cc2ccco2)c1=S 764931675 HKEZQVNZLIWSCT-UHFFFAOYSA-N 433.537 5.055 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1-c1cccc(Cl)c1 765335569 YRMDXGIUPQMDED-OAHLLOKOSA-N 437.956 5.996 30 20 IKED C=C(C)C[C@@H](C)C(=O)OCc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1 767698927 JILHGHKXOGQQMA-GFCCVEGCSA-N 427.353 5.780 30 20 IKED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)COC(=O)c1cn(CCCC#N)c2ccccc12 769544186 YNIXOCYFVCDDIX-SFHVURJKSA-N 443.503 5.068 30 20 IKED N#CCCn1cc(CN2CCCCC[C@H]2C[C@@H](O)c2ccccc2)c(-c2ccccc2)n1 770289105 BTSQABULLXAHEF-IZZNHLLZSA-N 428.580 5.332 30 20 IKED CC(C)(C)OC(=O)N[C@H](CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1ccccc1 777311360 IVEOTQBKARRKTO-IAGOWNOFSA-N 439.512 5.268 30 20 IKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)O[C@H]([C@@H]1CCOC1)C(F)(F)F 778040487 NWFOBUNKKCHGHN-LXMSNNHMSA-N 436.270 5.248 30 20 IKED Cc1cc(C#N)ccc1NC1CCC(OC(=O)c2cccc(COC3CCOCC3)c2)CC1 779236035 VVYWDTXOVKEMMK-UHFFFAOYSA-N 448.563 5.142 30 20 IKED C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(-c2ccco2)nn(CN2CCC(CC#N)CC2)c1=S 781572529 RLIHHSUHLVFAPS-FRYIKTPZSA-N 425.602 5.254 30 20 IKED C[C@@H](NC(=O)[C@@H](C#N)C(=O)CCCCC(=O)c1ccccc1)c1ccc(Cl)cc1Cl 787046285 QBAWHVVNNJYSPB-BEFAXECRSA-N 445.346 5.323 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 789457765 WEEOUJQQTNQVDX-UHFFFAOYSA-N 429.605 5.649 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)[C@@H](C#N)c1nccc2ccccc12 792097141 UMLITSFEDMLTKM-HXUWFJFHSA-N 449.341 5.763 30 20 IKED Cc1cc(Cl)ccc1O[C@H](C(=O)[C@@H](C#N)c1cnc2ccccc2n1)c1ccccc1 792108881 PEKNCVQEXUVAFW-DFBJGRDBSA-N 427.891 5.588 30 20 IKED CN(C)C(=O)c1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1 792927857 ZQLVQZLLYJKEFO-UUASQNMZSA-N 432.907 5.190 30 20 IKED COc1ccc(C(=O)C[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 796795465 BVPMAASIVQIVCU-LIRRHRJNSA-N 438.936 5.557 30 20 IKED C=CCCc1ccccc1NC(=O)Nc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1 800579177 YXHOFOIWWFPIRU-UHFFFAOYSA-N 439.560 5.218 30 20 IKED C[C@@H](OC(=O)c1cc(C#N)ccc1Cl)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 803835140 FBTPAUCSZZGHCW-SECBINFHSA-N 431.197 5.068 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(Cl)c(SC(=O)N(C)C)c2)c1C#N 805438155 AAVOIUIXZYLZFJ-UHFFFAOYSA-N 446.985 5.232 30 20 IKED CC(C)(CCC#N)CNC(=O)N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21 811917207 BLWJVUNUWCWQOB-GOSISDBHSA-N 444.576 5.265 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 812185068 XEMOEHAJSQSPGE-NQYLQCIDSA-N 439.362 5.153 30 20 IKED C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N(C)[C@@H](C)c1cc(C)ccc1C 812186148 LLNDIJNCPDIDBU-NRFANRHFSA-N 447.583 5.095 30 20 IKED C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1cccc(Br)c1 813059976 MVRPXQHPZHGMGQ-HWPZZCPQSA-N 440.124 5.207 30 20 IKED Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(N(C)CCC#N)cc2)SC1=S 814276641 DFVSUNCGJAKGHD-UYRXBGFRSA-N 427.982 5.404 30 20 IKED CCOc1ccccc1-c1nnc(S)n1N=Cc1c(Cl)ccc(Cl)c1Cl 818265580 QBEDITLKGWKCTM-UHFFFAOYSA-N 427.744 5.475 30 20 IKED COc1cc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1OC(F)F 915353411 SPSGOXBQZFBPJD-HXUWFJFHSA-N 437.446 5.274 30 20 IKED COc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915353763 WXGBGNNNZYUBIO-KAYWLYCHSA-N 439.559 6.500 30 20 IKED COc1ccc(-c2csc3ncnc(NN=C4CCCc5oc(C(=O)O)c(C)c54)c23)cc1 915952246 PIRRSBUSNRDEFI-UHFFFAOYSA-N 448.504 5.119 30 20 IKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(C2CCCC2)C1=O)Nc1ccc(F)cc1F 916212540 XEMOSYWNESGCRH-LJQANCHMSA-N 447.482 5.007 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1oc2ccccc2c1CSC 916901482 IYIIYAHYXWCARQ-CQSZACIVSA-N 442.924 5.227 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(CC)cc2)cc1OCC 916909354 HZGNWHPENGSCMJ-GOSISDBHSA-N 428.916 5.051 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916927181 DWUWPKGHSWBVMD-CQSZACIVSA-N 448.306 5.526 30 20 IKED CCCCOc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1OCC 916939742 QQQWLTRWQMPYDU-INIZCTEOSA-N 432.879 5.018 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(F)c2)n1)C(=O)Nc1cc(Cl)cc(Cl)c1 916944652 KFLLMTAVMLZRMH-KRWDZBQOSA-N 448.306 5.146 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)cc1 916955745 UEXYLRZGTLJIGL-NYHFZMIOSA-N 448.954 5.617 30 20 IKED Cc1cccc(N2C[C@@H](C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)c1C 916976917 WXLYGESWMNLNRW-HKUYNNGSSA-N 449.963 5.310 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 921240146 XLBYFEZXSHCDPY-QFIPXVFZSA-N 434.499 5.294 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(Cl)c(F)c4)CCC3)cc2)C1 1785803491 NJBQVPKCURRSPA-UHFFFAOYSA-N 426.919 5.122 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnn(C(C)(C)C)c3Cl)cc2)CCC1 1787130396 WFNTXXIMKCRSDF-MRXNPFEDSA-N 442.991 5.251 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1 1787950907 NLIBEEGQSSUNRZ-RSEQLOHWSA-N 429.564 5.075 30 20 IKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCC[C@@H]5CCCC[C@@H]54)CCC3)cc2)c1 1790146104 DVZCFPVADCRQMP-AJSBUHFISA-N 444.579 5.241 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5occc5c4)CCC3)cc2)c1 1790257118 IRPSNECXZCXINO-UHFFFAOYSA-N 435.483 5.366 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)c(F)cc4F)cc3)CCC2)C1 1790612593 ZFDDKECJIVZNLN-UHFFFAOYSA-N 430.882 5.332 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c3ccccc3n3ccsc13)C2 1792572813 JPDQHGXLVYDCHN-REPLKXPHSA-N 449.620 5.398 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1cccc(C(F)(F)F)c1 1793935801 BTSQGKMZFVIADT-IKNLRRFCSA-N 448.529 5.349 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3sccc3[nH]2)[nH]n1 1814443538 ZKZLNLSUPZHSIQ-SFHVURJKSA-N 439.585 5.251 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2C(C)(C)C)[nH]n1 1814826708 DHQAURZNTAXWCR-OAQYLSRUSA-N 449.599 5.177 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cc(C)cs2)[nH]n1 1819304126 ZVCLQLLLLUEUQK-PZJWPPBQSA-N 440.613 5.173 30 20 IKED CC(C)=CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1820802242 LFEMMNRKKZNCHO-NRFANRHFSA-N 442.680 5.199 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cnccc3c2)CC1 1823752454 UCRYXZLICLOPBA-VWLOTQADSA-N 447.623 5.461 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccc3c(c2)CCCC3)cc1 10173612 SAPXGIVMHOHXTK-UHFFFAOYSA-O 449.665 6.145 30 20 IKED Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1ccc(Cl)s1)[n+]1cccc(O)c1 11257494 PAOMUWPDZCEWTG-UHFFFAOYSA-O 438.381 5.407 30 20 IKED Cc1ccc(C(C)C)c(OCC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 14621519 UBJMYZXGIKKCKI-UHFFFAOYSA-N 438.578 5.151 30 20 IKED C=CCN(Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1)Cc1ccc(Cl)s1 19529875 HKDAPQCYMKLHLG-UHFFFAOYSA-N 427.982 5.555 30 20 IKED O=C(/C(=C(\S)Nc1cccc(C(F)(F)F)c1)[n+]1ccccc1)c1ccc(Cl)cc1 20860084 MOKOOIAZULFTAZ-UHFFFAOYSA-O 435.878 5.697 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)Cc3c(Cl)cccc3Cl)s2)cc1 20968790 BWCQHNWSIHMWIO-UHFFFAOYSA-N 435.361 5.190 30 20 IKED Cc1ccc(SCc2cccc(C(=O)OCC(=O)Nc3sccc3C#N)c2)c(C)c1 22722249 DDULVXAPFKWGMU-UHFFFAOYSA-N 436.558 5.324 30 20 IKED COc1cc(C#N)cc(Cl)c1OC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 25804381 RVZYUVWRWUUGBP-UHFFFAOYSA-N 436.855 5.025 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cc4c(OC(F)F)cccc4[nH]3)c2)c1 32290236 KNLHZFLEYVVQCR-UHFFFAOYSA-N 433.414 5.472 30 20 IKED COc1ccccc1-c1n[nH]c(/N=C(\O)CSc2cc(C)c(Br)cc2C)n1 59403672 GTYAOTRPYQBMSA-UHFFFAOYSA-N 447.358 5.240 30 20 IKED N#CCC[C@H](C#N)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3 61717201 FJBNOAINRNBTBU-GOSISDBHSA-N 448.617 5.115 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N 72025249 HFVJJIOXNBLXMF-UHFFFAOYSA-N 442.544 5.582 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccnc(OCc3ccccc3)c2)cc1 108884438 LSRMXLSKFHDKOU-UHFFFAOYSA-N 449.510 5.558 30 20 IKED N#Cc1ccc(N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)cc1C(F)(F)F 301565736 ZBHBOVCSZJIVOV-ZDUSSCGKSA-N 439.363 5.023 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 303399625 ZSTAJMGZFGKWSF-INIZCTEOSA-N 445.573 5.642 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 303801192 AARRRIZZTZJWAU-UHFFFAOYSA-N 447.922 6.241 30 20 IKED C=CCc1cc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)cc(OC)c1OC 409500555 OOUUWPRUTHCYSP-UHFFFAOYSA-N 430.504 5.245 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccccc1COCC 409501171 LDMDYBXDFPZLEG-UHFFFAOYSA-N 435.337 5.023 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(C#N)cc2Cl)nnc1-c1ccc(Cl)cc1 430372329 RMYASIRDHUSSNZ-UHFFFAOYSA-N 444.347 5.040 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc3nc(C4CC4)oc3c2)cc1 431448478 LPCANKUYFPZEIK-UHFFFAOYSA-N 425.513 6.121 30 20 IKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)NCC1(CC#N)CC1 431966743 PMXMXEIEJAQAPN-UHFFFAOYSA-N 430.430 5.082 30 20 IKED COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1cccc(C#N)c1C)CCO2 432284028 NOKIWXHQYUOKFG-XMMPIXPASA-N 427.504 5.433 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC(C)(C)[C@H]1c1cccnc1 432846128 MPBGCBRKFFEONL-XMMPIXPASA-N 426.520 5.456 30 20 IKED O=C(c1ccc(Br)c(Cl)c1F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 435864687 JVCKJLTVPUUBEP-UHFFFAOYSA-N 442.556 5.199 30 20 IKED CC(C)Oc1ccc(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1Cl 437463767 VLTJZGYGSFAXMG-UHFFFAOYSA-N 449.894 5.368 30 20 IKED COc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 438659072 DJSBGJJAJFZDGO-QFIPXVFZSA-N 431.467 5.867 30 20 IKED CCCc1c(NC(=O)N(C)[C@H]2CCCc3nc(C)sc32)cnn1-c1cccc(C#N)c1 439679005 FLMQDZOEFOBESQ-NRFANRHFSA-N 434.569 5.003 30 20 IKED CCCc1c(NC(=O)N(C)C[C@H](C)Cc2ccc(OC)cc2)cnn1-c1cccc(C#N)c1 439689064 UGCXGHOICCDDOK-LJQANCHMSA-N 445.567 5.048 30 20 IKED CCCc1c(NC(=O)c2cc(C)cc(C)c2Br)cnn1-c1cccc(C#N)c1 440088290 NATFAPDTQJXRKF-UHFFFAOYSA-N 437.341 5.328 30 20 IKED CCN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccccc1S(=O)(=O)CC 443994892 UMJQABUJNUZBSS-UHFFFAOYSA-N 448.544 5.005 30 20 IKED O=C(NCCc1nc(C(F)(F)F)cs1)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F 446357665 NQISATYDWHLQMC-GFCCVEGCSA-N 449.779 5.100 30 20 IKED CN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H]1CCCC[C@H]1C(F)(F)F 463484865 OSIDBIQXXGLIFX-IRLDBZIGSA-N 445.485 5.916 30 20 IKED C[C@H](C(=O)N(Cc1ncc[nH]1)c1ccc(Br)c(Cl)c1)c1cccc(C#N)c1 464498233 IKUSLJXMBUOGGQ-ZDUSSCGKSA-N 443.732 5.034 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1cccc(-n2cccn2)c1 465208291 SZYBZPSJPRVLTD-KRWDZBQOSA-N 426.451 5.166 30 20 IKED CC(C)(NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc(C(F)(F)F)cs1 467618880 LJWDGAUCYQBTPE-UHFFFAOYSA-N 446.454 5.883 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1ccc(F)cc1 468651832 NEMRLGICRJOHCF-MRXNPFEDSA-N 435.528 5.790 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CN[C@@H](c3ccccc3)C(F)(F)F)cc2)c1 469003396 NKTIPDDYONICGQ-QFIPXVFZSA-N 425.410 5.182 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 472441045 UPYMBOGDPYJLCF-UKILVPOCSA-N 442.515 5.091 30 20 IKED CN(C(=O)C[C@@H](CC#N)c1ccccc1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 476049947 LUUSQUKJLDFLAU-GOSISDBHSA-N 439.437 5.943 30 20 IKED C=CCOc1cccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2cccc3ccccc23)c1 478840097 PGJMGJYSRPLAPG-SANMLTNESA-N 436.511 5.249 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(O)(Cc2ccc(F)cc2)CC1 479234569 DBNDHIDVTPSDFX-UHFFFAOYSA-N 446.547 5.058 30 20 IKED C=CCn1c(SCc2csc(-c3ccccc3OC)n2)nnc1-c1ccccc1C 479795632 ISCRXGPMXPZLFK-UHFFFAOYSA-N 434.590 5.864 30 20 IKED CCNC(=O)N1CCc2ccc(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)cc21 479878673 YLHSGUUMSCQZOT-UHFFFAOYSA-N 442.544 5.054 30 20 IKED CCCN(C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1)[C@@H](C)c1cc2ccccc2o1 481002431 CACFYQFHYBJGBI-IRXDYDNUSA-N 439.537 5.124 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)cc2F)c1 481680675 AQVSNVDRLLVYJS-XMMPIXPASA-N 449.457 5.021 30 20 IKED CCN(Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H](C)Cc1ccccc1C(F)(F)F 482458356 MDBIZOOZUIDSIA-SFHVURJKSA-N 441.501 5.331 30 20 IKED N#C[C@@H](C(=O)c1ccccc1CSc1nc2ccccc2o1)c1nccc2ccccc12 483221537 RTEOSFYKJRCGGR-OAQYLSRUSA-N 435.508 6.158 30 20 IKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3cnc4ccccc4n3)cc(-c3ccccc3)nc21 483228773 NBGHIXRBUCJOQJ-IBGZPJMESA-N 432.487 5.112 30 20 IKED C[C@@H](CC#N)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 484809905 LFMJTNNFDWVVRV-KXGFGANYSA-N 426.476 5.052 30 20 IKED C=CCC[C@H](C(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)cs1)c1ccccc1 487740034 NZPPIWXYTZPZKD-SFHVURJKSA-N 425.579 5.196 30 20 IKED COc1cccc(NC(=O)[C@H](Sc2nc(C(F)(F)F)ccc2C#N)c2ccccc2)c1 488788195 XIMRBDOFRVXFFC-LJQANCHMSA-N 443.450 5.453 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1-c1cccs1 489397362 DUKOVZPHTYEDLR-KRWDZBQOSA-N 446.601 5.979 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 494544206 NRMIEZRVTQOSRA-QGZVFWFLSA-N 432.907 5.546 30 20 IKED CN(Cc1csc(Br)c1)C(=O)c1cccc(OCc2ccccc2C#N)c1 500625694 VLXQJVQKURWUIG-UHFFFAOYSA-N 441.350 5.233 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc([C@H]2CCCOC2)cc1 503041170 YJMVEDTYSGECPL-DEOSSOPVSA-N 426.516 5.592 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCCCN1C(=O)c1cccs1 511545374 LOQQEZZLIQQGIO-JOCHJYFZSA-N 445.544 5.354 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1ccccc1Br 513348416 SXWAKPFXTFXKBN-INIZCTEOSA-N 435.435 5.108 30 20 IKED C=CCN(Cc1cccs1)C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 515454162 MYKRERZKEXKVCX-KRWDZBQOSA-N 437.540 5.598 30 20 IKED C[C@@H](c1c(F)cccc1F)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 516366770 RIUQMLIJTFZWKK-KRWDZBQOSA-N 435.474 5.835 30 20 IKED COc1cc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(C#N)cc2)ccc1OCc1ccccc1 517970904 WAPROXZUXWJXCM-RBUKOAKNSA-N 429.520 5.267 30 20 IKED CCOc1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1F 518514440 STGGUXSMOHYQMF-UHFFFAOYSA-N 433.483 5.191 30 20 IKED Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)s1 518581923 QRRPXUOYLFCSMC-KRWDZBQOSA-N 434.565 5.630 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCc1ncc(-c2ccccc2Cl)o1 518738885 CUMZHQCHNWDRBF-OAHLLOKOSA-N 425.941 5.961 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 519434014 JYWXODHELVVWCD-SFHVURJKSA-N 439.540 6.513 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 520196032 VEWFVSFCJZPJPS-HNNXBMFYSA-N 433.499 6.296 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@H](Cc4ccccc4)C3)c2)c1 521589377 ZPFKXMLYDWKFMU-JOCHJYFZSA-N 438.531 5.297 30 20 IKED C=CCc1ccc(OCC(=O)N(CC)[C@H](c2cccnc2)c2ccc(F)c(C)c2)c(OC)c1 522176112 VTNKTDJZRCILPI-MHZLTWQESA-N 448.538 5.283 30 20 IKED Cc1nc(C(C)(C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)sc1C 523017153 ZODZSJGCKDNPDY-IBGZPJMESA-N 438.984 6.126 30 20 IKED Cc1csc(-c2cccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c2)n1 523549241 GSNHDUZCESKSOV-UHFFFAOYSA-N 439.540 6.016 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2ncc(Cc3ccccc3Cl)s2)c1 523665872 ZVYYHYSVNFZOBU-UHFFFAOYSA-N 426.929 5.714 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1ccccc1Oc1ccccc1Cl)c1ccccc1 524443334 PUFYXCCBVOXIHD-UHFFFAOYSA-N 447.922 5.798 30 20 IKED COc1cccc([C@@H](CNc2c(C#N)nnc3ccccc23)c2c[nH]c3ccccc23)c1OC 524843498 QMRXVFXUTHBZIC-OAQYLSRUSA-N 449.514 5.244 30 20 IKED Cc1cc(OC(C)C)ccc1NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 527110981 KQDSBNNJYOJOSF-UHFFFAOYSA-N 429.476 5.023 30 20 IKED CC(C)N(CCc1nccs1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 532811358 AVNWVKABPBJWPM-UHFFFAOYSA-N 440.956 5.945 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@](C)(C#N)CC(C)C)c(OC)c1 533875369 HFFUSPNMZYTCDT-AREMUKBSSA-N 433.552 5.229 30 20 IKED COc1cc(CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C2CC2)ccc1O 534192656 QELXKOXVTDDNJH-UHFFFAOYSA-N 430.529 5.228 30 20 IKED Cc1c(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cccc1-c1ccccn1 534362386 FNHKWUYVOKPATP-HHHXNRCGSA-N 433.511 5.631 30 20 IKED C[C@@H]1CCC[C@H](n2c(SCCCC3(C#N)CCOCC3)nc3ccccc3c2=O)[C@@H]1C 537309083 ZLBYIQWUCSRNPT-KNKQGSTJSA-N 439.625 5.586 30 20 IKED C[C@H](NC(=O)Nc1cc(F)cc(N2CCOCC2)c1)c1ccc(-c2cccc(C#N)c2)cc1 542025354 JEXJPSSPZJVCQQ-SFHVURJKSA-N 444.510 5.084 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1ccc(C#N)c(C(F)(F)F)c1 542934306 KFCIWHKPYFIJHN-UHFFFAOYSA-N 430.455 5.110 30 20 IKED CC(C)C(=O)Nc1cccc(-c2noc(/C=C\c3cn(CCC#N)c4ccccc34)n2)c1 546303185 NWHJIJKHSCPDJF-QXMHVHEDSA-N 425.492 5.370 30 20 IKED COc1ccc2c(-c3ccccc3)c(C(=O)N3CCC(C#N)(c4ccccn4)CC3)oc2c1 548841355 ZUSYAASUAMFEJZ-UHFFFAOYSA-N 437.499 5.201 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)CC1 548899041 RRQVJMDDVQVHAS-RUZDIDTESA-N 436.515 5.184 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)sc2ccc(C#N)cc12 550556314 GCJJAGDAQCAGBA-UHFFFAOYSA-N 427.485 5.225 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)C1CCC(OC(F)F)CC1 552491549 RXCLNOPMPCRLFC-UBHUBRDASA-N 433.339 5.613 30 20 IKED CCc1ccc([C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)c2cccc(S(C)(=O)=O)c2)cc1 552956742 OJHNQEJKVDTBAU-KAYWLYCHSA-N 444.600 5.281 30 20 IKED N#Cc1ccc(NC2CC2)c(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)c1 557062128 QIYUSUGYIPYHHI-UHFFFAOYSA-N 444.560 5.408 30 20 IKED CCCN(C(=O)c1sc2ccc(C#N)cc2c1C)C1CCN(c2cc(C)nc(C)n2)CC1 575201053 SPQCUHMSBDSZSW-UHFFFAOYSA-N 447.608 5.009 30 20 IKED Cc1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)s1 578102548 ORECAJVTXUWYOA-UHFFFAOYSA-N 444.516 5.943 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1oc2ccccc2c1CSc1cccs1 578868657 HEJNNYOYDXUDGS-UHFFFAOYSA-N 434.542 6.309 30 20 IKED N#C[C@H](C(=O)c1oc2ccccc2c1CSc1ccc(F)cc1)c1nc2ccccc2o1 587988716 JCZLNQBRZURRSZ-GOSISDBHSA-N 442.471 6.495 30 20 IKED CC(C)(C)OCc1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 588261050 CJLDSHYVSFMDQS-UHFFFAOYSA-N 425.504 5.088 30 20 IKED Cc1c(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)cnn1-c1cccc(C(F)(F)F)c1 603527345 KHEKZHFIHHBLQE-UHFFFAOYSA-N 426.442 5.122 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CCN(c4ccc(F)c(F)c4)C3)cc2)cc1 604460594 DIJWDFSQKXQVND-SFHVURJKSA-N 448.473 5.277 30 20 IKED CC[C@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccccc1OC(F)F 605014352 PTYIHFVSHFYJDI-NSHDSACASA-N 434.327 5.265 30 20 IKED O=C(Nc1ccc(CC(F)(F)F)cc1)c1cnn(-c2ccccc2F)c1C(F)(F)F 607530797 GPWDNOQLSBGZGD-UHFFFAOYSA-N 431.311 5.387 30 20 IKED Cc1nc(NC(=O)c2occc2COc2cccc(C#N)c2)sc1Cc1ccccc1F 608805104 WHFQOWGDGBTSLI-UHFFFAOYSA-N 447.491 5.477 30 20 IKED Cc1cc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)sc1-c1cccc(Cl)c1 608950550 DLDKHKPJIMELDG-UHFFFAOYSA-N 436.968 5.042 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCCC4(CCCCC4)C3)s2)cc1 609553980 OXLKOUNKJOGBGH-UHFFFAOYSA-N 427.599 5.280 30 20 IKED C=CCN(C(=O)CCc1ccnc2ccccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 609906288 BNDBPJNUZMUENV-UHFFFAOYSA-N 444.516 5.418 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2ccnc3ccccc23)cc1Cl 609907218 XJFACTKUHYKWLN-HSZRJFAPSA-N 425.919 6.115 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnn1-c1ccc(F)cc1 613405297 XIRWKTVXRUVXMI-HNNXBMFYSA-N 444.413 5.438 30 20 IKED CCCCOc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1OCC 642282590 ISSRCDQECDIVJI-INIZCTEOSA-N 427.451 5.499 30 20 IKED O=C(Nc1ccccc1Oc1cccc(F)c1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674563016 RKAABFUMNHKEOU-ZIAGYGMSSA-N 436.327 5.823 30 20 IKED O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674564017 PQKDKVCWGKQMHE-GJZGRUSLSA-N 438.318 5.836 30 20 IKED Cc1c(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cccc1C(F)(F)F 675532901 DHLYZLMTYLVJIJ-NXEZZACHSA-N 436.318 6.045 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccccc2)ns1)c1nc2cc(C(F)(F)F)ccc2s1 676590857 HNDDMNKQWKIEFO-ZDUSSCGKSA-N 429.448 5.929 30 20 IKED CCn1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C(F)(F)F)n1 684768455 HRIRVNJCBBBMGR-SECBINFHSA-N 432.349 5.040 30 20 IKED COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1C 728062681 NQPDKZREDWMPBC-VQTJNVASSA-N 443.547 5.132 30 20 IKED Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)c(C)c1 728372534 ODBQXABEHIFKBM-HXUWFJFHSA-N 429.520 5.075 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@H](c3ccccc3)C(F)(F)F)n2)cc1 728770926 ZBFNSIYQZYAKFP-ZWKOTPCHSA-N 430.451 5.731 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cccc(OCc2ccc(Cl)cc2)c1 729070500 WXNKDAFQWZGLDY-IBGZPJMESA-N 439.298 5.534 30 20 IKED CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 731062398 JSBRKRFCBPCPNM-ZDUSSCGKSA-N 434.970 5.252 30 20 IKED COc1ccccc1[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 731109126 NGYWDTJSZRRKPN-IXCJQBJRSA-N 447.538 6.262 30 20 IKED Cc1nc2sc3c(c2c(=O)n1N=Cc1c(Cl)cccc1OC(F)F)CCCCC3 732924010 OKIGXMOZHQADBC-UHFFFAOYSA-N 437.899 5.172 30 20 IKED CCOc1cccc2cc(C(C)=NNc3cc(C(F)(F)F)nc(-c4ccccn4)n3)oc12 733080816 CEONLBWPWVVCIB-UHFFFAOYSA-N 441.413 5.538 30 20 IKED CC(C)(C)c1ccc([C@@H](O)CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 734930963 ZLLASDDGMDGDFT-DQEYMECFSA-N 427.548 5.495 30 20 IKED Cn1c(SCc2cc(Cl)ccc2OCC#N)nnc1-c1ccc(C(C)(C)C)cc1 735230886 TVZGTNNEKMLDAG-UHFFFAOYSA-N 426.973 5.628 30 20 IKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740057799 MIKMLCVELZWUCO-DHLKQENFSA-N 445.588 5.596 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 742594475 ZEJQUPWYZWOBNE-AUSIDOKSSA-N 435.568 5.197 30 20 IKED COc1ccc(-c2nn(Cc3ccccc3)cc2C=NNc2ccc(Cl)nc2)cc1OC 743452492 XTNDOLBUENRZED-UHFFFAOYSA-N 447.926 5.110 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnc(-c3ccc(OC)cc3)s2)cc1 744030006 YEZIEBQYYIVJRZ-FQEVSTJZSA-N 433.533 5.122 30 20 IKED Cc1cc(/C=C/C(=O)OCc2nnc(-c3cccc(C#N)c3)o2)c(C)n1C1CCCCC1 744611071 PQRXYAOJOQKCMU-VAWYXSNFSA-N 430.508 5.288 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](C)C(=O)N1c2ccccc2Sc2ccccc21 744692041 PGDVKOTWZFNATJ-IAGOWNOFSA-N 444.512 5.087 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C\C(=O)c1cccc(N2CCOC2=O)c1 745626961 WOPXKCPJZVIDHM-KTKRTIGZSA-N 442.302 5.340 30 20 IKED N#C[C@H](C(=O)NCc1ccccc1)C(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 745947597 GJRRARXXKZHDNM-IBGZPJMESA-N 439.298 5.425 30 20 IKED Cc1cccc(F)c1CNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 746317160 KBBPZLYCXMBUJS-UHFFFAOYSA-N 445.338 5.287 30 20 IKED CC1(C)CC[C@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2ccccc21 747007645 YEBSWDSRBFEASU-NOZRDPDXSA-N 437.543 5.209 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 747108787 SGMJWDNCOQBUOI-HNNXBMFYSA-N 449.841 5.443 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 752376369 OPYUPWBYKPDHMQ-UHFFFAOYSA-N 433.924 5.141 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4ccc(OC)c(OC)c4)CCC3)n2)cc1 755635431 NEYPNNOHMUXYFJ-LJQANCHMSA-N 448.544 5.134 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 757304360 KKOGDBSMOXUMJR-NRFANRHFSA-N 439.471 5.019 30 20 IKED Cc1sc2ncn(N=Cc3cc(Cl)c(O)cc3Cl)c(=O)c2c1-c1ccccc1 758099885 POTWJGWHZUSLQW-UHFFFAOYSA-N 430.316 5.328 30 20 IKED Cc1ccc(-c2nc(/C=C3/COC/C(=C/c4coc(-c5ccc(C)cc5)n4)C3=O)co2)cc1 759611821 HFORKXAMJZEXEX-IINORCHSSA-N 438.483 5.680 30 20 IKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccccc2Cl)=C(/O)c2ccc(C#N)cc2)cc1 762445862 ZYVNNRCCPSTSAL-UHFFFAOYSA-O 448.999 6.120 30 20 IKED CC(=NOCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)c1nc2ccccc2n1C(F)F 762672588 XPFOZGNMUCWACG-CQSZACIVSA-N 434.874 5.045 30 20 IKED O=C(O)C(=O)/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccc2ccccc2n1 764434018 IYQLJWDPUXPSGJ-PXLXIMEGSA-N 427.431 5.147 30 20 IKED N#CCCCn1cc(C(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)c2ccccc21 768003749 JVMAOOVDNIKBGH-GOSISDBHSA-N 425.454 5.594 30 20 IKED N#Cc1c(NC(=O)CCN2CC=C(c3ccc(Cl)nc3)CC2)sc2c1CCCCC2 773671557 WUJVSMNWOPWCLQ-UHFFFAOYSA-N 441.000 5.055 30 20 IKED CN(C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1cccc(Br)n1 776380115 KKNXHBQFEOOCBQ-UHFFFAOYSA-N 442.700 5.438 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)c1 777984215 KZTAYKDVYBGYHC-INIZCTEOSA-N 427.476 5.008 30 20 IKED CSC[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(C(F)(F)F)cc1 781912508 QHMONRBJDQUZTK-HXUWFJFHSA-N 435.515 5.054 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)Nc3ccc(-c4ccccc4)cc3)c2)c1 783415143 XXRRTDJFDAPYEA-UHFFFAOYSA-N 447.494 5.381 30 20 IKED O=C(/C=C\c1ccc(Br)cc1C(F)(F)F)c1ccc(C(F)(F)F)nc1O 794937473 JEKPQJAMSGSKKX-DJWKRKHSSA-N 440.137 5.483 30 20 IKED N#C[C@H](C(=O)[C@H]1CC[C@@H](C(F)(F)F)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 796796220 CCRBVHBAAQKPON-OPQQBVKSSA-N 433.282 6.272 30 20 IKED C[C@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(C(F)(F)F)cc1 798350950 OBAICWGEYNOBLK-LBPRGKRZSA-N 448.495 5.463 30 20 IKED N#Cc1ccc(NC(=O)COc2ccc(C3SCCCS3)cc2)cc1Br 808870826 QRIQYEFPLDSZCH-UHFFFAOYSA-N 449.395 5.207 30 20 IKED COc1cc(C=NOCC(=O)c2cc(C)n(Cc3cccs3)c2C)ccc1OC(F)F 849973863 SGSGACQOCSQNME-UHFFFAOYSA-N 448.491 5.058 30 20 IKED CCCCCCn1nc(C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc2c1=O 863967136 DWOHONZKMMZJOT-UHFFFAOYSA-N 434.565 5.041 30 20 IKED N#CCCCN1C(=O)CCc2cc(NCc3cc(Cl)cc(Br)c3)ccc21 864026206 ZHBRJHCVCJBWKN-UHFFFAOYSA-N 432.749 5.298 30 20 IKED CC(=O)Nc1cc(NC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F 873768021 URGNLGKAFFPIIZ-GORDUTHDSA-N 434.311 5.474 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2Cc3ccccc3[C@H](c3ccccc3)C2)c1=S 887566523 CTGKASCOMFZCNM-DEOSSOPVSA-N 439.588 5.267 30 20 IKED C=C1c2ccccc2C(=O)N1CCC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C 914520718 NSXPUMSYWCANLH-UHFFFAOYSA-N 439.490 5.056 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 915180688 QZUDARMRINARNL-SFHVURJKSA-N 436.265 5.265 30 20 IKED Cc1c(Cl)cccc1N=C1SCCN1C(=O)CCCc1nnc(-c2ccccc2)o1 915275845 XQRNQXPXLCTBJX-UHFFFAOYSA-N 440.956 5.284 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(OCC(F)(F)F)c2)cc1 915359374 QWVNWLNCNSZXRS-JOCHJYFZSA-N 439.437 5.605 30 20 IKED COc1ccc(-c2nc(SCc3c(Cl)ccc4cccnc34)nc(O)c2C#N)cc1 915794757 YTKWPOFUPPEWGO-UHFFFAOYSA-N 434.908 5.223 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(C3CCCC3)C2=O)c1 916205473 JMODKLQNKWIATG-NRFANRHFSA-N 439.556 5.345 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C/c1ccccc1OC(F)(F)F 916911103 ZENKBQRINMAFHH-QFQMRYFISA-N 430.426 5.071 30 20 IKED COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1OC 917562191 VBOIJWCTRGIGQP-YFHOEESVSA-N 442.924 5.394 30 20 IKED CN(CCCOc1cccc(Cl)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 918035764 KBJOHAVQLBOYCY-DEOSSOPVSA-N 433.939 5.928 30 20 IKED CC(C)N(C)c1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F 919653457 ZWRGJMAXZIGVBJ-RYUDHWBXSA-N 429.380 5.265 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1nc(-c2ccncc2)cs1 920267852 KSJJWRWBHBIXHQ-ZDUSSCGKSA-N 442.978 5.462 30 20 IKED Cc1ccc2[nH]c(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c(Cl)c2c1 1523823550 LZZXVCQHQGJVIA-ZDUSSCGKSA-N 436.924 5.209 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCc3ncccc3OC)CCC2)cc1 1785841012 XFZABLXLWHHYHG-UHFFFAOYSA-N 449.595 5.149 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc4sccn4c3)cc2)CCC1 1788413045 QZJTWWFWZFCFBL-NRFANRHFSA-N 433.577 5.517 30 20 IKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4ccccc34)cc2)CCC1 1788892310 ZEJDSPXWDPNPCD-IBGZPJMESA-N 428.532 5.179 30 20 IKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4sccc4s3)cc2)CCC1 1789255561 XLPQYOLZEVOUTK-HNNXBMFYSA-N 440.590 5.302 30 20 IKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CC=C(C)CC4)CCC3)cc2)c1 1790073036 HRMQPDPPUPXRRK-HXUWFJFHSA-N 443.547 5.061 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)cc(Cl)c3)CCC2)cc1 1790569482 OEOJOAGLJCZSHJ-KRWDZBQOSA-N 441.959 5.197 30 20 IKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)c(C)o1 1790764331 VAKXYTKMIRYSBG-UHFFFAOYSA-N 447.922 5.483 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4nn(C)cc4c3)cc2)CCC1 1790854620 KYUMCNLWPBSQCL-QHCPKHFHSA-N 442.563 5.089 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(F)c(C(F)(F)F)c1)C2 1792574393 ZRYNQFMLVIYQME-BJWYYQGGSA-N 440.481 5.089 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCc2cccc(Cl)c21 1801428625 WHXVXWLNEOBJRG-YRPNKDGESA-N 429.004 5.000 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccccc3OC(F)F)CC2)C1 1804868788 POIQHZAQOYIFAQ-UHFFFAOYSA-N 448.554 5.125 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2sccc2Cl)[C@H]1c1cccnc1 1811098691 LJYOKBLRUMPOEE-PKOBYXMFSA-N 446.016 5.109 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ccn(C)c23)[nH]n1 1814443138 NOOBPRXOEHEVIS-NRFANRHFSA-N 447.583 5.200 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(C)s2)n[nH]1 1815853735 ZFOILOHSIAZBSG-CTNGQTDRSA-N 440.613 5.173 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ncccc23)n[nH]1 1818469837 WDWCEFLFXRBROY-JOCHJYFZSA-N 445.567 5.256 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2)[nH]n1 1819307254 DMXNEVOGLGSMSB-UYAOXDASSA-N 426.948 5.137 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1819557035 UMWJQIHCAFMUTP-AVRDEDQJSA-N 447.583 5.335 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccccc2Cl)CC1 1826473844 UAQMHDCKYJYNPE-VWNXMTODSA-N 443.031 5.271 30 20 IKED Cc1cccc(Cl)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1 1829958227 BVCUWIMAJCVZRL-QHCPKHFHSA-N 449.982 5.067 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)ccc2Cl)CC1 1830576915 LVLWLHQIZQTAOI-NFBKMPQASA-N 446.994 5.481 30 20 IKED Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830722819 RWUJQWVUVPXFGR-DEOSSOPVSA-N 449.982 5.067 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)c(OC)c2)CC1 1832588761 BRWFILOUXWTQLP-QFIPXVFZSA-N 444.591 5.060 30 20 IKED N#CCCN(C(=O)CN(Cc1cccs1)Cc1cccs1)c1cccc(Cl)c1 10202456 DBKXYVMENSGCST-UHFFFAOYSA-N 429.998 5.412 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)OCC(=O)Nc1ccccc1SC(F)F 10750745 BMWCTKHPPZDNJO-UHFFFAOYSA-N 438.455 5.335 30 20 IKED CC(C)(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccccc2)cc1 10759627 ABSTYRYALAFJKX-UHFFFAOYSA-O 441.979 6.115 30 20 IKED COc1ccc(-n2ccnc2SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cc1 12479227 BQMYVSYVMZSIAY-UHFFFAOYSA-N 449.580 5.017 30 20 IKED C=CCn1c(SC[C@@H](O)COc2ccc(-c3ccccc3)cc2)nnc1-c1ccoc1C 21437993 HZCVINGVBANWHH-NRFANRHFSA-N 447.560 5.232 30 20 IKED C[C@H]1CN(Cc2csc(/N=C(\O)c3sc4cc(F)ccc4c3Cl)n2)C[C@H](C)O1 22300648 FOHCECWTKCLICR-QWRGUYRKSA-N 439.965 5.396 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2cccc(C)c2)c(C)c1 28780146 PQRXGRXSRIYVAP-UHFFFAOYSA-O 431.625 6.248 30 20 IKED C=CCn1c(SCc2nc3cc(Cl)ccc3n2Cc2ccccc2)nnc1C1CC1 45947244 OVEBWQKHMXTADL-UHFFFAOYSA-N 435.984 5.685 30 20 IKED CN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1cccc(C#Cc2cccs2)c1 46632430 HJOSIGMNFGSMLN-UHFFFAOYSA-N 442.565 5.738 30 20 IKED C=CCc1ccc(OCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(OC)c1 59326922 WZFNYMVYYCPOIZ-UHFFFAOYSA-N 444.506 5.042 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)c1C#N 110818844 AMPCFGVXJKZAGP-INIZCTEOSA-N 428.561 5.978 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1nnc2n1CCCCC2 216736882 OSJHXGDGJQEZRF-LJQANCHMSA-N 441.922 5.363 30 20 IKED N#CCCCOc1cccc(CNCC2(c3ccc(Cl)cc3Cl)CCOCC2)c1 237883375 JWHDNICYLXBNCK-UHFFFAOYSA-N 433.379 5.514 30 20 IKED O=C([C@H]1CCC[C@H](C(F)(F)F)C1)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 410174797 WYECFTSFIYYQEN-KBPBESRZSA-N 441.387 5.741 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1sc([C@H]2CCCOC2)nc1C 428213246 ZQFXYXMQOUPZAG-SFHVURJKSA-N 433.533 5.570 30 20 IKED C[C@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1cc(F)c(Cl)cc1Cl 428332816 SMKUNJSSWPZWGJ-ZDUSSCGKSA-N 431.298 5.401 30 20 IKED N#Cc1cnc(C(=O)N(CCc2ccccc2)c2nc(-c3ccccc3)cs2)c(Cl)c1 431576131 FAZRAAMRCWSUNP-UHFFFAOYSA-N 444.947 5.620 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@H]1c1ccc(F)cc1F 432026128 MHHPKVVVMOCNER-KKSFZXQISA-N 429.536 5.525 30 20 IKED Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1 432764745 JQCVBZYATPIJCH-RDPSFJRHSA-N 432.568 5.566 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3nccn3CCc3ccccc3)cc2)c1 435132886 MOYTUQDLTMHXML-UHFFFAOYSA-N 437.503 5.111 30 20 IKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 437802634 RMRDMCJYNTVLBL-ZCYQVOJMSA-N 438.531 5.551 30 20 IKED C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 439310946 BDLYHPLEJWOYIK-IBGZPJMESA-N 441.535 5.093 30 20 IKED O=C(Nc1c(F)cc(F)cc1F)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 439425496 UJHKWBCZCBQPEA-UHFFFAOYSA-N 436.327 5.495 30 20 IKED CCCc1c(NC(=O)N2CC=C(c3ccc(F)cc3)CC2)cnn1-c1cccc(C#N)c1 439666794 WOWYPVIYEAPSCR-UHFFFAOYSA-N 429.499 5.157 30 20 IKED CSc1ccc(-c2nsc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)n2)cc1 440460753 LHIXSZRSDOXBFS-UHFFFAOYSA-N 445.529 5.238 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c(Br)sc(C)c2C)cc1 440687277 FIYKDVPHDHUHEV-UHFFFAOYSA-N 433.371 5.194 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)Nc2cccc3ccsc23)cc1 442228067 HNPJBKXIROLXSE-UHFFFAOYSA-N 443.484 5.151 30 20 IKED CCOc1ccc([C@@H](NCc2nnc(-c3ccc(C#N)cc3)o2)c2cccc(Cl)c2)cc1 443457977 VBNWOLBVZDQGEW-XMMPIXPASA-N 444.922 5.540 30 20 IKED Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3c(C#N)cnc4c(C)cc(C)cc34)C2)cc1 462798813 SZGKNRYHHAKBNP-FQEVSTJZSA-N 427.552 5.070 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1cccc(OC)c1)c1ccccc1Cl 466047702 ZTMVYJMECWQVLI-VWLOTQADSA-N 445.950 5.707 30 20 IKED CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 470830982 JYOGLAGMHFQBSD-SFHVURJKSA-N 435.867 5.555 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 473628421 JISLAKRCJUQTJD-LVXARBLLSA-N 448.636 5.458 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(OC(C)C)cc2Cl)cc1C 474404063 UCKCKXMDKCFCPG-UHFFFAOYSA-N 436.943 5.774 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N[C@@H](CC(F)(F)F)c2ccc(Br)cc2)cc1 476691097 PFEFSQKLOOVROU-KRWDZBQOSA-N 439.275 5.674 30 20 IKED Cc1c(C#N)c(NC(=O)CNC2(c3cccc(C(F)(F)F)c3)CC2)n(C2CCCC2)c1C 477413245 MCQTVAMGAHGZQK-UHFFFAOYSA-N 444.501 5.328 30 20 IKED Cc1ccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1NC(=O)N(C)C 478636486 XQLJSHHLAVIHNZ-UHFFFAOYSA-N 430.533 5.364 30 20 IKED C=CCn1c(SCc2nc(-c3ccccc3Cl)cs2)nnc1-c1ccccn1 478820537 HCFAEJHRVMMNLH-UHFFFAOYSA-N 425.970 5.595 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@]4(C3)OCc3ccccc34)c2)cc1 480546809 AZUPMRNWYTWXHF-AREMUKBSSA-N 425.488 5.404 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCc4c(ncn4-c4ccccc4)C3)c2)cc1 480560383 XBWMKDTTWCFVBK-UHFFFAOYSA-N 435.487 5.126 30 20 IKED CC(C)CN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1CCCc2cccnc21 481339854 NMJHPPVYXWQZOL-DENIHFKCSA-N 436.625 5.307 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 482401386 OQVVQEITNCNCGF-GOSISDBHSA-N 441.400 5.385 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC(Oc4ccc(F)cc4F)CC3)c2)cc1 482960362 QXZYUMAROHUQFT-UHFFFAOYSA-N 434.442 5.312 30 20 IKED CCc1nc(C2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)n[nH]1 484177077 MBGSBOAWFQFPND-FQEVSTJZSA-N 448.958 5.087 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccccc1C 488928683 GRIUZZCPVOQYBC-HNNXBMFYSA-N 437.956 5.084 30 20 IKED CN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 489012316 MQVAGFFEGDQWOJ-UHFFFAOYSA-N 440.547 5.479 30 20 IKED COc1ccccc1C(C)(C)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 491547996 BBSYPOLXNGEJSH-UHFFFAOYSA-N 429.520 5.397 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCCCC(=O)c1ccccc1 498493541 WTFZYCQVWBWMNE-UHFFFAOYSA-N 428.507 5.982 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1OCCC(F)(F)F 505807116 OWOKYCIKIOQJSF-MJGOQNOKSA-N 435.421 5.461 30 20 IKED CCOc1cc(Br)c(NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1OCC 510642175 ZRSHAOMMJFGONJ-CYBMUJFWSA-N 432.318 5.001 30 20 IKED C=CCN(C(=O)c1cc(-c2ccccc2)no1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 512172071 VGHKJXVOQNURTD-UHFFFAOYSA-N 432.461 5.206 30 20 IKED CCCOc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cs2)cc1 512948638 PWADHGRLGMJGDB-GOSISDBHSA-N 446.557 5.607 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@@](CO)(c3ccccc3)C2)cc1Cl 513907041 GLDOTVGRJLJJKE-AREMUKBSSA-N 446.934 5.170 30 20 IKED C=CCOc1ccccc1-c1nc(C2(c3ccc(Br)cc3)CCOCC2)no1 515359677 BBQLZASVGZEFSW-UHFFFAOYSA-N 441.325 5.160 30 20 IKED CC(C)c1c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cnn1-c1ccccc1 515676690 UVRVJCANMMZHNR-UHFFFAOYSA-N 449.514 5.372 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@@H](C)c1nc(-c2cccs2)no1 517450787 OKIKGJGPJHWNKV-KBPBESRZSA-N 444.607 5.483 30 20 IKED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)ccc2Cl)cc1 518903147 ZCLGMLDFAHYHOQ-UHFFFAOYSA-N 440.952 5.066 30 20 IKED CC[C@@H](c1ccccc1)N(CC)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 519913140 JAWHSXXGAKMCOE-DEOSSOPVSA-N 426.520 5.816 30 20 IKED N#Cc1c(NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)sc2c1CCCCCC2 521534038 UMROKRQMVPZGNQ-UHFFFAOYSA-N 425.941 5.768 30 20 IKED C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccccc3SCCC#N)cc2[N+](=O)[O-])C1 521717007 PZFVEAXKSOWNMJ-CALCHBBNSA-N 438.553 5.335 30 20 IKED CC[C@H](c1ccccc1)N(CC)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 521859810 TXWKCZWSVWSQOZ-LJQANCHMSA-N 437.594 5.707 30 20 IKED COc1ccccc1-c1cccc(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 522071803 GWMWELZXPUXEDE-OAQYLSRUSA-N 444.510 5.163 30 20 IKED C[C@@H](Oc1ccccc1NC(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccccc1 522463432 SAQVFWWXNMZGSB-OAQYLSRUSA-N 440.547 5.442 30 20 IKED Cc1ccc(C[C@H](C)N(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 523419415 DEVKWIHGEHKOMK-NRFANRHFSA-N 427.548 5.735 30 20 IKED COc1ccc2sc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)c(C)c2c1 524727893 SEKIKZCBOAKOJC-UHFFFAOYSA-N 441.512 5.595 30 20 IKED Cc1cccc(NC2CCN(C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)CC2)c1 524971901 CDGXPQZUOJJKQM-UHFFFAOYSA-N 445.950 6.029 30 20 IKED COc1ccc(CNc2ccc(F)c(NC(=O)C3CCCCC3)c2)cc1OCCCC#N 534242954 MRYMQWIXGAIOHL-UHFFFAOYSA-N 439.531 5.648 30 20 IKED N#CCCn1cc(CNc2ccc(F)c(NC(=O)C3CCCCC3)c2)c(-c2ccccc2)n1 535692082 SFMCNZQELBBEAY-UHFFFAOYSA-N 445.542 5.734 30 20 IKED C=CCCOCCCCC(=O)N(CC)[C@H]1CCSc2ccc(Br)cc21 540494514 CPGABKSAIVOCOZ-SFHVURJKSA-N 426.420 5.598 30 20 IKED Cc1cccc(C)c1NC(=O)CN(C)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 541157658 VEHSTMBQYUHXTP-HXUWFJFHSA-N 440.547 5.183 30 20 IKED C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)Nc1ccccc1C(F)(F)F 542014732 XOMWZACWUBKXTQ-SJORKVTESA-N 437.465 5.922 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)[C@@H](C#N)c3ccncn3)cc12 546860663 ZYKCMOVSDSRNEA-HNNXBMFYSA-N 442.331 5.041 30 20 IKED O=C(CC(F)(F)F)Nc1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)cc1 548967509 IZEKFFRAXNFBBG-HNNXBMFYSA-N 437.315 5.142 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(OC(C)(C)C)CC1 549679256 WDMYASGOSWKQIO-QGZVFWFLSA-N 432.996 5.432 30 20 IKED Cc1nn(-c2ccccc2)cc1CCCNC(=O)Nc1ccccc1S[C@@H](C)CC#N 553664847 DQHBMJQBOUJQAI-SFHVURJKSA-N 433.581 5.329 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 554932470 UZLQNRCXUTWIFX-MNVNNWCQSA-N 444.579 5.305 30 20 IKED N#Cc1ccc2c(c1)[C@@H](NCc1ccc(NC(=O)CCCOc3ccccc3)cc1)CC2 554997672 PBNLACCNRDNLMZ-SANMLTNESA-N 425.532 5.133 30 20 IKED C=C(C)Cn1c(-c2sccc2C)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 555263650 GGCBZARMHFRXTG-SFHVURJKSA-N 446.523 5.070 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1(c2ccccc2C)CCOCC1 556841353 OHCXJNHFOHDBKU-UHFFFAOYSA-N 426.516 5.654 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H]3CCCN(Cc4cccs4)C3)cc2)c1 562872470 YARZPBKTYGDJRA-FQEVSTJZSA-N 446.576 5.446 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)COC(c3ccccc3)c3ccccc3)cc2)ccn1 572536734 YNSULEDRLZIREV-UHFFFAOYSA-N 435.483 5.490 30 20 IKED CCCOc1ccc(Br)cc1-c1noc([C@H](C#N)Cc2ccc(C#N)cc2)n1 573165685 MVTUJAUDEXHMSC-INIZCTEOSA-N 437.297 5.009 30 20 IKED Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 577236405 VLZDGQHVSMZLKS-MRXNPFEDSA-N 431.458 5.070 30 20 IKED COc1cc(CNC(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)ccc1C#N 583967452 HGYZZGFNYLWQON-ZDUSSCGKSA-N 440.956 5.213 30 20 IKED CC1CCC(OC2CCN(CCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)CC2)CC1 584070711 VMFIVBKEWHFIPQ-XBMUEBEBSA-N 443.657 5.133 30 20 IKED CCn1cc(Br)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 588737011 GEFLXVAQLHRGAP-CQSZACIVSA-N 434.746 5.537 30 20 IKED COc1ccc(CN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)[C@H](C)C2CC2)cc1 601187219 FDGZDJGEKBTGFP-HXUWFJFHSA-N 425.532 5.323 30 20 IKED CCOc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1[N+](=O)[O-] 603673383 NLOQZYTUGZQGOP-IBGZPJMESA-N 435.867 5.555 30 20 IKED CCn1c(SCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)nc2ccccc21 603739762 BQKUYRGWLQAOMV-UHFFFAOYSA-N 443.532 5.154 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(CSc2nc(C)cc(C)c2C#N)cs1 603945654 ITBVDBIOIOYKPB-UHFFFAOYSA-N 428.970 5.657 30 20 IKED C[C@@H](CCc1ccccc1)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604129317 AIVZICXNRCAFLB-FDDCHVKYSA-N 445.950 5.071 30 20 IKED CC(C)(C)c1noc2ncc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cc12 604203233 CXWLQVXHWQNYIA-UHFFFAOYSA-N 426.476 5.223 30 20 IKED C=CCN(C(=O)c1cc2sccc2s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 604231544 KGXQFXQJSSCQTC-UHFFFAOYSA-N 427.532 5.827 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3csc(-c4ccc(Cl)c(Cl)c4)n3)[nH]c12 605363408 XZAMYWDLWVERQT-LBPRGKRZSA-N 427.316 5.792 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)Cc1ccc(SC)c(OC)c1 606774184 UJNLOTDJBSTVEG-UHFFFAOYSA-N 425.472 5.273 30 20 IKED C[C@H](CC(=O)c1ccccc1F)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 608110360 SICTZHGTGQIEAN-IJLUTSLNSA-N 427.360 5.060 30 20 IKED N#CCc1ccc(NC(=O)N2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)cc1 608862536 FARFMPOWKXLGDX-RUZDIDTESA-N 444.966 5.345 30 20 IKED C=C(C)COc1cccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 608946869 BSAYMBHDZSKNDT-KRWDZBQOSA-N 432.480 5.370 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1Cl 609098779 NRSSNICDPBIVQR-HSZRJFAPSA-N 426.907 5.493 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C3CCN(Cc4ccccc4)CC3)cc2F)c1 609104095 DYVXPRMGDCZTRO-UHFFFAOYSA-N 443.522 5.127 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)cc1 609296856 ZPVXPTCINWMKON-LJQANCHMSA-N 434.446 5.029 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 609633548 CPOAVKKPOFOGKO-VBKZILBWSA-N 436.968 5.100 30 20 IKED CC(C)C[C@H](NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1cccs1 609942175 JDWAZTCAVQKNDQ-NRFANRHFSA-N 433.533 5.254 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCCOc2cccc(Cl)c2Cl)c1C 610054317 JHAQSGRIFVTBQE-UHFFFAOYSA-N 443.334 5.465 30 20 IKED C[C@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 610401194 VBIJCFMVVNLJRM-IRXDYDNUSA-N 430.483 5.071 30 20 IKED C[C@H](NC(=O)N1CCCO[C@H](c2ccccc2)C1)c1ccc(-c2cccc(C#N)c2)cc1 611854307 OIJIVHRUWNAVLN-FNZWTVRRSA-N 425.532 5.459 30 20 IKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)cc12 614439870 RMAAZHMCONKEKS-CQSZACIVSA-N 432.892 5.680 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2cccc(C)c2)n1CC=C 617943785 LGBBAHQYXYOADB-GOSISDBHSA-N 438.622 5.196 30 20 IKED N#Cc1ccc(CNC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1Cl 619762148 KYRWBKDXIKZROV-UHFFFAOYSA-N 434.710 5.422 30 20 IKED C=C(C)Cn1c(CCCc2ccccc2)nnc1N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 670201112 IBWUZPMCUZUCEB-CALCHBBNSA-N 446.439 5.207 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)c(-c3ccc(F)cc3)s2)cc1Cl 726733291 VCJUGIRFHBODIP-INIZCTEOSA-N 442.899 5.486 30 20 IKED CC(C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728298562 GNHOHFAJJAHEAU-SFHVURJKSA-N 431.511 5.839 30 20 IKED COC(=O)c1ccc(/C=C2/CCc3nc(-c4ccccc4Br)sc3C2=O)o1 730435947 IQUCCHMJGPXXPT-KHPPLWFESA-N 444.306 5.165 30 20 IKED O=C(/C=C/c1ccc(OCc2occc2C(=O)O)cc1)c1ccc(Br)cc1 730952483 XGCPZGGHKIILAE-XCVCLJGOSA-N 427.250 5.215 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2c(ccc3ccccc32)[nH]1 731062148 AIEKJTLKOQDASL-INIZCTEOSA-N 443.528 5.511 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)Cc1ccccc1-2 731072693 CHYCWSPAXBBZRP-KRWDZBQOSA-N 442.540 5.305 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)cc1 732956568 WDIIPGUHLIPSQU-SUOUMBACSA-N 447.494 5.345 30 20 IKED N#CCOc1ccc(COC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)cc1 733492101 YCFDFFJGRLXMGD-JOCHJYFZSA-N 425.843 5.245 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)ccc1OC 733654519 SFJOQSPFWAIAPE-UXHICEINSA-N 427.932 5.076 30 20 IKED C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@H]2c2cccc(N(C)C)c2)c1=S 735484599 GFBQVOXQFGZGAI-QHCPKHFHSA-N 433.625 5.051 30 20 IKED C[C@H](C#N)Oc1ccc(CNC[C@H]2CCCN(C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 735508714 MDAPJVUKVAMMLQ-LLBVYWAGSA-N 431.502 5.169 30 20 IKED C=CCCSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1ccc(Cl)c(OC)c1 739432845 XOIWSBOEYNNMED-CPNJWEJPSA-N 428.941 5.410 30 20 IKED CN(Cc1nccn1Cc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 743093264 QEEULLAGYSASMV-VWLOTQADSA-N 435.531 5.251 30 20 IKED Cc1[nH]nc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)c1-c1cccc(Cl)c1 743705012 XJWWMRWZBHHOGF-UHFFFAOYSA-N 429.911 5.570 30 20 IKED N#CCCn1cc(C(=O)COC(=O)c2cc(C3CC3)nc3ccc(F)cc23)c2ccccc21 745594799 WBIOVKDBMFSIHA-UHFFFAOYSA-N 441.462 5.159 30 20 IKED CC[C@@H](C)n1c(SCC(=O)[C@H](C#N)c2ccc3ccccc3n2)nnc1-c1ccccc1 750390273 SNXUATADMSWCOQ-YLJYHZDGSA-N 441.560 5.433 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cncc(-c3ccc(OC)cc3)c2)cc1 757874815 LJMHBHJWHOWUOJ-XMMPIXPASA-N 427.504 5.061 30 20 IKED Cc1ccc(-c2cncc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)c2)cc1 758092353 XZCJYQWBLNPPDE-GOSISDBHSA-N 445.544 5.247 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1 760789026 AZWIMQHNWYZRCS-OAQYLSRUSA-N 445.277 5.794 30 20 IKED COC(=O)NCc1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1 761457781 MLXUBNTYBFMUNR-UHFFFAOYSA-N 435.867 5.112 30 20 IKED N#C[C@@H](C(=O)Cn1c(C2CCCCC2)nc2ccccc21)c1nc(-c2ccncc2)cs1 762049388 CHJSYBKRZLKLSC-IBGZPJMESA-N 441.560 5.479 30 20 IKED N#Cc1cc(NC(=O)c2cc(Br)cc3ccccc23)c(Cl)c([N+](=O)[O-])c1 764312461 BWRRDDHVSNIORT-UHFFFAOYSA-N 430.645 5.288 30 20 IKED C=CC[C@H](NC(=O)N1CCC(C)(c2cccc(Br)c2)CC1)c1ccncc1 768947798 CRWQRGPPMFACRZ-FQEVSTJZSA-N 428.374 5.225 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc(F)c(C#N)c1)C(=O)c1ccccc1 770570979 MDHYAUUXHNKZAD-XQNSMLJCSA-N 426.491 5.727 30 20 IKED N#C[C@H](C(=O)C1(c2ccccc2Cl)CCOCC1)c1nc2cc(Cl)ccc2s1 779192837 ANWWVPNBTVMXHN-CQSZACIVSA-N 431.344 5.528 30 20 IKED Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 782390976 CXGCTTDDFYVMIU-ZDUSSCGKSA-N 441.340 5.100 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1)c1nccc2ccccc12 792094156 DDHKOZUVULAWMW-HNJZPNCXSA-N 443.934 5.159 30 20 IKED CCn1c(-c2ccc(Br)cc2)cnc1SCCCC1(C#N)CCOCC1 798366624 GZBZVNGDAWXRLA-UHFFFAOYSA-N 434.403 5.525 30 20 IKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)O[C@H](C)C(=O)Nc1ccccc1C#N 800375144 YKTAFQYWSHXKPY-LJQANCHMSA-N 449.510 5.195 30 20 IKED Cc1ccccc1[C@H](O)C1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 806258543 SNMKZVUJHTXTEH-AREMUKBSSA-N 441.531 5.637 30 20 IKED COc1cc(/C=C2\CCOc3ccc(Br)cc3C2=O)ccc1OC(F)F 818470126 IGASKNGSSQNTIZ-XYOKQWHBSA-N 425.225 5.108 30 20 IKED O=C([C@H](F)c1ccc(C(F)(F)F)cc1)N1CCC(c2nc(C(F)(F)F)cs2)CC1 857522819 QIKONMNGPAVTRM-CQSZACIVSA-N 440.384 5.598 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)COc1ccc(C2SCCCS2)cc1 914501476 JYXFYCYOGMQHJF-UHFFFAOYSA-N 426.607 5.243 30 20 IKED O=C(/C=C/c1ccccc1OC(F)(F)F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 914766527 LPAOSEUTSZKCET-IEVRTODYSA-N 449.313 5.624 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915179696 GFNDBFHPPIZZOZ-DEOSSOPVSA-N 437.568 6.264 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 915353804 XOQILVCFPWUASV-ZEQRLZLVSA-N 439.515 5.482 30 20 IKED N#C[C@@H](C(=O)CSCc1coc(-c2ccccc2)n1)C(=O)Nc1cccc2ccccc12 916919661 YTOKWQSRIJOSFG-NRFANRHFSA-N 441.512 5.076 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1nc(-c2ccccc2)cs1 917026149 WWGPBBCJLRIRBY-SFHVURJKSA-N 435.961 6.006 30 20 IKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)C2)c1 917428596 CNOFJSKWMOWCPH-CTNGQTDRSA-N 444.560 5.239 30 20 IKED Fc1ccc(OCc2nnc(S)n2N=Cc2ccc(F)c(-c3cccs3)c2)cc1 917543161 GRJLCWRZEUVPDC-UHFFFAOYSA-N 428.489 5.035 30 20 IKED Cc1nc2sccc2c(=O)n1N=Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 917579507 BFJOEJKEOZVWGS-UHFFFAOYSA-N 445.935 5.155 30 20 IKED CCOc1ccccc1OCCCC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920804288 ODHKZZVWCRRMET-OAHLLOKOSA-N 442.487 5.522 30 20 IKED N#C[C@@H](C(=O)COc1ccc(Br)cc1)c1nc(-c2c(F)cccc2F)cs1 920804580 VYOLYWQWZRZXOY-ZDUSSCGKSA-N 449.276 5.106 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)cc1C 920855232 ZEINEQVHDHKMLT-UHFFFAOYSA-N 449.505 5.211 30 20 IKED C=CCCO[C@H](C)C(=O)OCc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1 921216985 DMJBZGZDKXMXNZ-GFCCVEGCSA-N 443.352 5.159 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)CCCC(F)(F)F)cc3)CCC2)c1 1786621352 JAAVUJMDENTPGT-UHFFFAOYSA-N 429.442 5.039 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)[C@H](C)Sc3cccs3)CCC2)cc1 1786678370 TYCSKLYSXRGUQA-INIZCTEOSA-N 446.663 5.282 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3nccc4[nH]ccc34)cc2)CCC1 1788463296 RVCMDJZOLOASRU-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CC34CCCN3CCC4)CCC2)cc1 1789625411 CJZWDWMGBYBTFR-UHFFFAOYSA-N 437.628 5.131 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3occc3Br)CCC2)cc1 1791247615 AGICUZAXUTVKPH-AWEZNQCLSA-N 431.330 5.002 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)[nH]n1 1821917255 QQNBWAZUCPPNJJ-VLIAUNLRSA-N 439.947 5.063 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3occc3c2)CC1 1828255619 KYMKUUWMJPDVPF-DEOSSOPVSA-N 434.580 5.435 30 20 IKED Cc1cscc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832630404 HYDOZOIDLBKCFC-HOYKHHGWSA-N 449.620 5.231 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](c1ccc(Cl)cc1)C(C)C 1847529902 JKVAZUJTDUYWON-VABKMULXSA-N 429.004 5.050 30 20 IKED Cc1nc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)c2c(C)c(C)sc2n1 9788685 XQISELQSGSMHCN-UHFFFAOYSA-N 428.608 5.159 30 20 IKED Cc1sc(NC(=O)c2cccc(C(=O)Nc3sc(C)c(C)c3C#N)c2)c(C#N)c1C 13987498 JXRPAMAHQKWZCF-UHFFFAOYSA-N 434.546 5.291 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)NCc2ccccc2)[n+]2ccc(C(C)(C)C)cc2)cc1 20887783 CWNXDOJBIAGSRA-UHFFFAOYSA-O 431.625 5.563 30 20 IKED C=CCn1c(SCC(=O)c2ccc(NC(C)=O)cc2)nnc1-c1ccc(C(C)(C)C)cc1 21674062 AQRNHVNZMKDARK-UHFFFAOYSA-N 448.592 5.362 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)NCCc2ccccc2)[n+]2ccc3c(c2)CCCC3)c1 22735659 ZMJPXWVKEZEAEK-UHFFFAOYSA-O 443.636 5.241 30 20 IKED CSc1ccc2cc(CN3CCCN(Cc4ccc(C#N)cc4)CC3)c(Cl)nc2c1 22819283 WQGYUVNBBLNMKV-UHFFFAOYSA-N 437.012 5.190 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)[nH]c1C)=C(/S)Nc1cccc(Cl)c1C 23603511 FZXRQNVTJMWJKR-UHFFFAOYSA-O 426.993 5.494 30 20 IKED C=CCNC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)cc1 29812010 OEPAUYZTXPFBPW-LJQANCHMSA-N 428.536 5.024 30 20 IKED N#Cc1ccc(NC(=O)C(=O)N[C@@H](CCCc2ccccc2)c2ccccc2)cc1Cl 61983113 MSTBPYNDPPWFER-QHCPKHFHSA-N 431.923 5.031 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CC=C(c3cccc4ccccc34)CC2)o1 63690333 RIDYDQUIGBDJMI-UHFFFAOYSA-N 434.495 5.813 30 20 IKED COc1ccc(CNCC(C)(C)c2ccc(Br)cc2)cc1OCCCC#N 64614058 QOTBGSWTVCZIKI-UHFFFAOYSA-N 431.374 5.208 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 107581031 LUBJBCXYIGIZTA-RUZDIDTESA-N 434.923 5.285 30 20 IKED Cn1c(C(F)F)nc2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)ccc21 409647207 VVZSVGHNMZMHHO-UHFFFAOYSA-N 432.430 5.214 30 20 IKED O=C(O)[C@H](Cc1c[nH]c2cc(F)ccc12)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 426815232 KEADFOKAJFKDGI-KRWDZBQOSA-N 448.338 5.130 30 20 IKED Cc1cnc(-c2ccccc2NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)[nH]1 427188504 AVQHQHKMQQNPEK-UHFFFAOYSA-N 428.879 5.955 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)c1ccc(OC)c(Cl)c1 428094493 TWWLJSNUBXRQFV-HNNXBMFYSA-N 443.956 5.069 30 20 IKED CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@H](CCCC#N)c1ccccc1 431462812 CLHGLZNRKSNJSZ-DQLDELGASA-N 444.373 5.259 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)CCCC(=O)Nc1ccccc1C#N)C1CC1 432480146 VDTBFVQCJAZGOF-INIZCTEOSA-N 443.469 5.438 30 20 IKED CC(C)n1ncnc1CN[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 434487721 XWTJPWZXYAMAKN-ZDUSSCGKSA-N 434.306 5.290 30 20 IKED COc1cccc(Cc2nnc(SCCC(C#N)(c3ccccc3)c3ccccc3)o2)c1 434647736 HKSROYJVSLYJBL-UHFFFAOYSA-N 441.556 5.661 30 20 IKED C=CCc1cc(/C=C(\CC(=O)O)c2nc3cc(C(F)(F)F)ccc3s2)cc(OC)c1O 436853668 RNGDBFVBSAWKFA-RIYZIHGNSA-N 449.450 5.773 30 20 IKED CCO[C@H](C)c1nc(CN(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cs1 438037186 UILQQALGJJFCCC-MRXNPFEDSA-N 436.537 5.568 30 20 IKED Cn1c([C@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c2ccccc2)nc2ccccc21 438657079 QHJVNBUDRUSQJH-OAQYLSRUSA-N 449.436 5.375 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C)c1 438842315 ORQQFYDDQFUFOG-SJORKVTESA-N 441.622 5.857 30 20 IKED CCCc1c(NC(=O)c2ccc(C)c(Oc3ccncc3)c2)cnn1-c1cccc(C#N)c1 440068724 HXWZDYHIFZUTSZ-UHFFFAOYSA-N 437.503 5.445 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(Cc1ccccc1)[C@@H](C)C(C)(C)C 441401033 BBRJUPIHVVQQPX-OALUTQOASA-N 437.609 5.483 30 20 IKED Cc1sc(NC(=O)c2ccccc2Sc2ccc(S(C)(=O)=O)cc2)c(C#N)c1C 443824298 OTTQZZFMIVDYLW-UHFFFAOYSA-N 442.587 5.044 30 20 IKED N#C[C@]1(NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)CCc2ccccc2C1 444344380 SGGSATBUFWMFSW-QFIPXVFZSA-N 426.394 5.026 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)NC1(c2c(Cl)cccc2Cl)CCC1 446718020 WUYKUKJCZYYCSG-UHFFFAOYSA-N 430.335 5.169 30 20 IKED N#Cc1cccc(C2(C(=O)Nc3ccc(Oc4ncc(Cl)cn4)c(Cl)c3)CC2)c1 447697249 WWTKRRHXURPNOY-UHFFFAOYSA-N 425.275 5.118 30 20 IKED CC(C)(C)[C@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)c1cccc(C(F)(F)F)c1 462092403 PKBSISXGQZYGNR-GOSISDBHSA-N 442.445 5.067 30 20 IKED COc1ccc([C@@H](NC(=O)N[C@H](C)c2ccc(C#N)cc2)c2ccccc2Cl)c(OC)c1 465650302 DQTWRDWSDFKJAX-GYCJOSAFSA-N 449.938 5.379 30 20 IKED C[C@@H](CN(C)C(=O)Nc1ncccc1OCCCC#N)Oc1ccc(Cl)c(Cl)c1 470506506 GPKPLIQPMFGGQT-AWEZNQCLSA-N 437.327 5.002 30 20 IKED Cc1cc(SC2CCCCC2)ccc1NC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 475241002 MEYCRLFXBKVGJX-XMMPIXPASA-N 447.604 5.421 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 475580723 CRLRNLSSWUEALG-NRFANRHFSA-N 445.563 5.711 30 20 IKED N#C[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2Oc2ccc(Cl)cc2Cl)CCO1 476966508 YYRMPFDUKQSYOG-CYBMUJFWSA-N 426.687 5.195 30 20 IKED Cc1ccc([C@H]2CCCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)o1 480286391 POKKWTBVHDKXGF-JOCHJYFZSA-N 428.492 5.471 30 20 IKED COc1ccc(Oc2cc(CNC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)ccn2)cc1 482423884 RMULIXCEOHJHFU-UHFFFAOYSA-N 444.535 5.122 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 483106614 DTLAIIDAOCXPJY-UHFFFAOYSA-N 438.522 5.620 30 20 IKED CC(C)(C)c1cc(NC(=O)c2cc(Br)ccc2Br)c(C#N)s1 484135252 QYTBAFNWBOOFLP-UHFFFAOYSA-N 442.176 5.695 30 20 IKED CC[C@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 485888846 LSEPZZDXWIPVEI-HSZRJFAPSA-N 427.504 5.289 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H]2CCO[C@H]2c2ccccc2)cc1 489859683 MCXFPKSJSFQKJV-NLFFAJNJSA-N 443.503 5.258 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Sc2ccc(Cl)cc2)cc1 490192088 AHKJKVIMYIPHTQ-UHFFFAOYSA-N 437.952 5.652 30 20 IKED O=C(c1cc(OC(F)F)cc(OC(F)F)c1)N1CC[C@H](C(F)(F)F)c2ccccc21 492073514 ZNFCHUYRXPBIOI-AWEZNQCLSA-N 437.311 5.586 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)Cc3cc(Cl)ccc3Cl)s2)cc1 498275773 NHVNIBVYGXRBGH-UHFFFAOYSA-N 435.361 5.190 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N[C@H](c3cccc(F)c3)c3ccccn3)c2)cc1 499586827 KBLWJJMKCDPPHF-RUZDIDTESA-N 438.462 5.796 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(F)cc3OCCC(F)(F)F)cc2)nc1 500198865 RCRRHFDXGMZPPE-UHFFFAOYSA-N 445.372 5.468 30 20 IKED CCOc1ccc(-c2nc(CC(=O)N(Cc3ccco3)c3ccccc3C#N)cs2)cc1 500996691 MIHACUAKOIXJEO-UHFFFAOYSA-N 443.528 5.449 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC2(CCCC2)c2c(F)cccc21 501049582 BWMCNANOGDNORQ-MRXNPFEDSA-N 437.540 5.017 30 20 IKED C[C@@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(C(F)(F)F)cc1 507789736 AVNWJAWOCQHLOQ-QGZVFWFLSA-N 438.449 6.093 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCSc3ccccc32)cc1 508240937 HORPUBARWRTYRP-HXUWFJFHSA-N 431.517 5.718 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC=C(c3ccc(OCC)cc3)CC2)cc1 509731711 BJOIDTJDDHJPOY-UHFFFAOYSA-N 445.563 5.221 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1Cl 510022263 CSFGVCZMBYGRLW-OAQYLSRUSA-N 440.934 6.067 30 20 IKED C[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)N(C)Cc1nc2ccccc2s1 510203843 PGFVCEKGOSNMCZ-MRXNPFEDSA-N 444.585 5.369 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC[C@@H](n3ncc4ccccc43)C2)c1 510956357 WUPVQAXXZAIKOJ-OAQYLSRUSA-N 442.906 5.441 30 20 IKED N#C[C@@H](NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1cccc(Cl)c1Cl 511177188 XOQCXRGONIDXAS-QGZVFWFLSA-N 432.694 5.829 30 20 IKED CN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@@H]1CCc2ccccc2C1 512730019 LZRJUTUYNFBAAH-RUZDIDTESA-N 425.532 5.353 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1nc(-c2ccncc2)cs1 512958584 KWDSCKGWGGYKPE-AWEZNQCLSA-N 440.315 5.188 30 20 IKED Cc1noc(C)c1[C@H](C)CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 513738083 NZKAQSLCJZYRLK-LLVKDONJSA-N 448.470 5.362 30 20 IKED C=CCN(C(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1nc(-c2ccccc2)cs1 514616711 CCZYEMUYBSFFBS-UHFFFAOYSA-N 442.466 5.398 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)nnc1-c1cccc(C)c1 514955417 XUIVAMPSTUGODL-DLBZAZTESA-N 441.000 5.451 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cnn1-c1cccc(Cl)c1 515540462 WNPCDMIFTGSJGH-HNNXBMFYSA-N 427.316 5.587 30 20 IKED COc1ccccc1CCN(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 517895952 JUWVVTZRQYXYGK-JOCHJYFZSA-N 433.939 5.710 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3c3ccccc3)cc2)c1 518750638 XQDSZBQPGJHKKN-JWQCQUIFSA-N 439.515 5.132 30 20 IKED CCCN(CC)Cc1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 520531210 WUZPWRKJUBUKNZ-UHFFFAOYSA-N 428.536 5.538 30 20 IKED Cc1cccc(C(=O)N2CCCC2)c1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 521086129 LXUKXAPCLOLERL-UHFFFAOYSA-N 439.515 5.342 30 20 IKED N#CCCCCS(=O)(=O)N[C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 521880369 OXUZHBFYMUSSGT-LJQANCHMSA-N 429.344 5.030 30 20 IKED CCn1c([C@@H]2CCCN2C(=O)Nc2cccc(C#Cc3ccccn3)c2)nc2ccccc21 522071255 GDJHUWKRKMLOOL-VWLOTQADSA-N 435.531 5.220 30 20 IKED Cc1cccc([C@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C 523770483 WSHBANFTCNQEDU-MBSDFSHPSA-N 445.950 5.428 30 20 IKED Cc1cccc(Oc2ncccc2NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c1C 524688472 OXYKZMZWHHQUBN-UHFFFAOYSA-N 442.519 5.156 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](C)C2CCN(CC(F)(F)F)CC2)cc1 527469480 PXGYHXYDLQHEGK-KRWDZBQOSA-N 445.485 5.052 30 20 IKED N#C[C@@H](C(=O)c1cc(Br)cc(C(F)(F)F)c1)c1nc2ccccc2s1 533772684 YQIUQZAJYPXJFK-LBPRGKRZSA-N 425.229 5.568 30 20 IKED C=CCN(Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1)Cc1ccccc1F 535980772 NSVHEEFCMKGRQV-UHFFFAOYSA-N 429.948 5.808 30 20 IKED CCSc1ccc([C@H](C)NCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 539303288 GCPXKANRDDJODA-KRWDZBQOSA-N 436.581 5.019 30 20 IKED CN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 541660958 VKCVBBOJRIBBLN-CJFMBICVSA-N 448.469 5.621 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC=C(c2ccccc2F)C1 542027159 WEAYDXLRDAJZAA-UHFFFAOYSA-N 427.479 5.516 30 20 IKED Cc1nnc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1C1CC1 542124942 ZKGJLJMCCNIOCL-AWEZNQCLSA-N 446.317 5.352 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CN[C@H](C)c2sc(-c3ccccc3)nc2C)cc1 542590878 WBRXSXDZBUOMJF-GOSISDBHSA-N 448.592 5.115 30 20 IKED C[C@@H](NC(=O)CCc1nc(-c2cccs2)no1)c1ccc(-c2cccc(C#N)c2)cc1 543033359 TVXONKZBWZWMQC-MRXNPFEDSA-N 428.517 5.147 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 543494843 QZYNAVNIDIPHES-RBBKRZOGSA-N 432.520 5.499 30 20 IKED Cc1n[nH]c(C)c1NC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 548512756 YSDGWRZHZDEAQA-LBPRGKRZSA-N 448.289 5.489 30 20 IKED CC(C)(C(=O)Nc1ccc(Br)cc1Br)c1cc(F)cc(C#N)c1 554676485 ISTXLWYBYJGGMR-UHFFFAOYSA-N 440.110 5.139 30 20 IKED C=CCOc1cccc(NC(=O)N2CCc3nc(-c4ccccc4Cl)sc3C2)c1 554752893 UYUDXUIVDGFWKK-UHFFFAOYSA-N 425.941 5.619 30 20 IKED COC(=O)c1cccc(CN[C@H](c2cccc(SC)c2)c2cc(F)ccc2F)c1C#N 555588961 XVLXDSCFNFTENF-HSZRJFAPSA-N 438.499 5.224 30 20 IKED COc1ccc([C@@H]2NC(=O)N(c3ccc(Oc4ccc(C#N)cc4)cc3C)C2=O)cc1Cl 561031477 BWHINKYYVLWGCT-QFIPXVFZSA-N 447.878 5.119 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cncc(C(F)(F)F)c1 564153844 VZFCGGVQTRSGTA-CYBMUJFWSA-N 430.270 5.543 30 20 IKED Cc1cc(Br)c(C(=O)N[C@H](C#N)c2cccc(Br)c2)cc1Cl 574863695 BPLUVXFXGAYUKG-OAHLLOKOSA-N 442.538 5.168 30 20 IKED C=CCN1C(=O)N(c2ccc(Oc3ccc(Cl)cc3)nc2)C(=O)[C@@H]1Cc1ccccc1 582683585 YFDMBVVOAYMHFJ-NRFANRHFSA-N 433.895 5.093 30 20 IKED Cc1nc(C2CCCCC2)sc1C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 582803647 VWCAXJZJVNYBQH-UHFFFAOYSA-N 427.545 5.194 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)Cc2cccc(OCc3ccccc3Cl)c2)cc1 591952388 PZORVSBJOOGNHO-UHFFFAOYSA-N 434.923 5.016 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3cccc(OCCCC#N)c3)c12 603972372 XKLNCAYERUHRHO-UHFFFAOYSA-N 431.540 5.307 30 20 IKED N#C[C@@H](Cc1ccccc1)Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 604019135 GUDWETKZYXAJTB-JOCHJYFZSA-N 430.964 5.874 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]1c1cccc(Cl)c1 609078924 DKSMZOCVSYDENZ-VWLOTQADSA-N 445.950 6.468 30 20 IKED N#Cc1ccccc1COc1cccc(CNCc2cccnc2Oc2cccc(F)c2)c1 609432785 SGRHPEFOPAALNO-UHFFFAOYSA-N 439.490 5.753 30 20 IKED C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 609503536 XTYZKUIPSGXJHD-AWEZNQCLSA-N 426.303 5.413 30 20 IKED CCCNC(=O)c1cccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 609727559 JYHHNXXJQIFHAN-UHFFFAOYSA-N 433.895 5.396 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)N[C@@H](Cc3ccccc3)c3cccs3)CC2)c1 609751501 JFVGESAERUNGKU-QHCPKHFHSA-N 431.561 5.157 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)cc1Cl 610191840 HLLRZPZTOVVLSK-INIZCTEOSA-N 436.842 5.214 30 20 IKED CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c1 610197571 PMUBDVCTFAGPPQ-FQEVSTJZSA-N 440.975 5.552 30 20 IKED CSc1cccc([C@H](NC(=O)N[C@@H](C)c2cccc(C#N)c2)c2cc(F)ccc2F)c1 610357491 NTBUOJXHVUUNGA-WNSKOXEYSA-N 437.515 5.708 30 20 IKED CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1c(Cl)cc(C#N)cc1Cl 611355368 AQBXXXVMFVFGFP-DYZYQPBXSA-N 442.140 5.134 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cnc(Cc4ccccc4F)s3)cn2)cc1 613896178 NZTQJGOJHLKQQU-UHFFFAOYSA-N 430.464 5.184 30 20 IKED CCCCN(Cc1ccccc1F)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 622093116 YMGGURWSOYCTRU-ZSHCYNCHSA-N 442.419 6.047 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)s2)cc1 642282423 QBKWEFZNDSBJPU-OAHLLOKOSA-N 438.459 5.362 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 669808618 DHHVEXJNDCHUTF-VXGBXAGGSA-N 442.766 5.101 30 20 IKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc3ccccc3o2)c1 726571331 SYLLHDNDPHHAKG-UHFFFAOYSA-O 446.939 5.877 30 20 IKED CN(C[C@H]1CCCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1)C(=O)OC(C)(C)C 728517387 BEIRYHYKSYNCMV-HXUWFJFHSA-N 449.551 5.070 30 20 IKED CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 729375875 VMIIITUVIWQLMM-UHFFFAOYSA-N 435.524 5.326 30 20 IKED Cc1nc(-c2ccccc2)c(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)s1 730034574 FHZYGBFXRWIDGY-UHFFFAOYSA-N 429.501 5.027 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl 730686980 KRMZNUDLIUTHQL-AUUYWEPGSA-N 431.363 5.644 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1 734080373 RRNYWYHERKXRBJ-OAHLLOKOSA-N 444.249 5.281 30 20 IKED C#CCOc1ccc(F)cc1NC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 741643077 LUTYRUJKTNCEFO-UHFFFAOYSA-N 427.435 5.115 30 20 IKED COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 746763382 IIDXCQPCIUIXLE-LOSJGSFVSA-N 425.532 5.590 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)C1CC(OCc2ccccc2)C1 747107953 KBXNHOKHWSHQMR-SDVLMSEASA-N 440.499 5.122 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CSCC(=O)c2ccc(Cl)cc2)cc1 747359691 SWLLZABCGCIPHI-QFIPXVFZSA-N 434.948 5.550 30 20 IKED CC(=NNc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccc(Cl)c1Cl 748085965 TVWPCWCFYLSROT-UHFFFAOYSA-N 441.365 5.087 30 20 IKED Cc1ccc(Cn2nc(C)c(/C=C/C(=O)c3ccc(N4CCOC4=O)cc3)c2Cl)cc1 748583583 HBZCTDCFTGHURE-VAWYXSNFSA-N 435.911 5.054 30 20 IKED O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccc(N2CCOC2=O)cc1 748583599 HLEINFOQMMGTHL-PKNBQFBNSA-N 438.277 5.562 30 20 IKED O=C(O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cc(O)nc2ccc(F)cc12 750219027 RHPLMAFFGJAIPV-MRXNPFEDSA-N 433.279 5.559 30 20 IKED C[C@H](OC(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(C)(C)C#N 753613680 PMJAYLJNAZVWBP-KGLIPLIRSA-N 441.578 5.167 30 20 IKED COc1ccc(C(=O)CCCCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 759356980 ZWLJLLOTRFSPOX-VWLOTQADSA-N 426.516 5.732 30 20 IKED N#C[C@H](C(=O)CSCC(F)(F)F)c1nc(-c2ccc(Cl)cc2Cl)cs1 762031121 SICIBRMWYUEFQP-SNVBAGLBSA-N 425.284 5.589 30 20 IKED Cc1cc(Br)cc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 766841878 OKOHDAWMPSULPC-HNNXBMFYSA-N 426.097 5.026 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)C1 769787162 PBBVFZRSKYNNBT-FGZHOGPDSA-N 433.596 5.121 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H]2CCCc3cc(SC(F)F)ccc32)ccc1OC 775410550 SLESDISEBIZTGS-PXNSSMCTSA-N 432.536 5.858 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 778009560 GNRGFTZWHFDIDH-CYBMUJFWSA-N 446.498 5.082 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)cc1 779020454 MCIQCWQKKLIIJU-UIOOFZCWSA-N 425.532 5.147 30 20 IKED N#C[C@@H](C(=O)Cc1cccc(OC(F)(F)F)c1)c1nc2cc(C(F)(F)F)ccc2s1 784492058 KZGURDBFIUFMJP-ZDUSSCGKSA-N 444.356 5.633 30 20 IKED C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 790208819 UCCXZCMTZUGLHT-GOSISDBHSA-N 441.487 5.140 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1cnc2ccccc2n1 792104470 OXEDNSSPCVNZNE-MRXNPFEDSA-N 438.434 5.191 30 20 IKED N#CC[C@@H](CC(=O)O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccccc1 796532585 OVKXFFBAUZTBLZ-UWJYYQICSA-N 428.319 5.562 30 20 IKED N#C[C@@H](C(=O)[C@H]1CCN(CC(F)(F)F)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 796644968 ZTSPQEVOZWSOCE-GWCFXTLKSA-N 448.297 5.177 30 20 IKED C[C@H]1CCCN(c2ccc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)cc2[N+](=O)[O-])C1 797571360 QVCIWABFAHUFHR-GOEBONIOSA-N 426.542 5.075 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 801661353 OOBJTYFJJJLGBJ-IBGZPJMESA-N 429.373 5.722 30 20 IKED CN(C)C(=O)Sc1cc(NC(=O)CCCCOc2cccc(C#N)c2)ccc1Cl 805436791 WRZPLQMFZUXSKJ-UHFFFAOYSA-N 431.945 5.173 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2c(F)cccc2N2CCCC2)cc1 806201251 VCXQYCPZQKSWSU-QFIPXVFZSA-N 428.511 5.403 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)cc1C#N 806363493 BIDLRJIMPKXLNK-UHFFFAOYSA-N 449.486 5.159 30 20 IKED CCCN(C(=O)c1sc2ccc(C#N)cc2c1C)C1CCN(C(=O)OC(C)(C)C)CC1 815836612 KOKUHLCJBCQWDG-UHFFFAOYSA-N 441.597 5.333 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3(Cc4ccc(F)cc4)CCOCC3)n2)cc1 815910688 DPXVGZDISKLKJH-NRFANRHFSA-N 434.536 5.473 30 20 IKED O=c1c(C=NOCc2ccccc2)c(Sc2nc3ccccc3s2)nc2ccccn12 839422046 SJVKLJNHGOHYMH-UHFFFAOYSA-N 444.541 5.006 30 20 IKED O=C([C@@H](F)c1ccc(C(F)(F)F)cc1)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 857483600 CXFBHGXEHKGKRZ-SJORKVTESA-N 435.339 5.335 30 20 IKED COc1ccc(-c2nc(SCc3cc(Cl)cc4cccnc34)nc(O)c2C#N)cc1 914774252 QRPJMBJGWYJKNV-UHFFFAOYSA-N 434.908 5.223 30 20 IKED CCN(CC)[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccsc1 915353495 NZJKHGXFHNCESW-RPWUZVMVSA-N 432.593 5.608 30 20 IKED O=C(COc1ccc(C(=O)/C=C/c2cc([N+](=O)[O-])ccc2Cl)cc1)Nc1ccccc1 916127824 JUPVPLFXBYNCKY-MDWZMJQESA-N 436.851 5.162 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2nn(-c3ccccc3)c3c2CCC3)cc1 916680487 ILYMEXKTLDABBK-RUZDIDTESA-N 447.542 5.338 30 20 IKED N#C[C@@H](C(=O)[C@H]1COc2ccc(Cl)cc2C1)c1nc(-c2ccc(Cl)cc2)cs1 916976815 GWQIPDKGFGOCBX-PBHICJAKSA-N 429.328 5.544 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1nc(-c2ccccc2)cs1 917026759 OLQWFCPEMMQYER-QHCPKHFHSA-N 436.536 6.316 30 20 IKED Cc1ccc(C(=O)CCC(=O)CCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)s1 917046798 PWNGIJGIEUSSPY-OAHLLOKOSA-N 444.965 5.508 30 20 IKED O=C(c1ccccc1SC(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918669399 DAPSXSXHFNPFQZ-RKDXNWHRSA-N 425.316 5.501 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 920102560 VVASCLHMBPBYME-KRWDZBQOSA-N 442.496 5.181 30 20 IKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2cccc(C)c2C)s1 920174959 XQSYEJGTEXEOQR-OXJNMPFZSA-N 441.622 5.035 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)OC[C@@H](C#N)Cc3ccc(F)cc3)c12 920877702 MSFCEASITDODMN-QGZVFWFLSA-N 434.515 5.051 30 20 IKED Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)cc1 1787773083 APDILOQDQMJIQY-UHFFFAOYSA-N 437.543 5.052 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnccc3C(F)(F)F)CCC2)cc1 1791243156 AZSOQEQMEZFTHI-OAHLLOKOSA-N 431.458 5.060 30 20 IKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)C[C@@H]4C[C@@H]5CC[C@H]4C5)cc3)CCC2)c1 1791325286 GNDVVWKFZPPGMS-HOJAQTOUSA-N 445.538 5.271 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@@H]4c4ccccc4)cc3)CCC2)cc1 1791535063 XLQJVELZEQNOJC-FTJBHMTQSA-N 449.554 5.304 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Cc3ccccn3)cc2)CCC1 1791766746 ITINQRFWQDTLHW-RDPSFJRHSA-N 431.580 5.163 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCSCc1ccc(C)cc1)C2 1798337729 SJNFVRSXBWIATF-KIHHCIJBSA-N 440.653 5.025 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(C)ccc3[nH]2)CC1 1828122899 PFDWTZYTQZHHCZ-OZXSUGGESA-N 447.623 5.478 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cccc(C)c3[nH]2)CC1 1828546245 PVMHAIXOLKOYSV-NOZRDPDXSA-N 447.623 5.478 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(C#N)c2)CC1 1829068530 BMIOEOCDXLJZIM-DEOSSOPVSA-N 435.612 5.092 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)ccc2OC)CC1 1829072312 XESRKESUEHIDBV-QFIPXVFZSA-N 444.591 5.060 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2c(C)cccc2C)cc1 11153368 KHSGLRBLSUYSKJ-UHFFFAOYSA-O 431.625 6.130 30 20 IKED C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 21550916 GRBBBXUCFGXGRD-QMMMGPOBSA-N 431.892 5.295 30 20 IKED C=C(C)CN(CC)C(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1 24457979 DJELQJYDWLNSCL-UHFFFAOYSA-N 434.508 5.057 30 20 IKED C=CCN(C(=O)c1cn2ccccc2n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 61204599 ZPWYQFYUPFWKGZ-UHFFFAOYSA-N 429.332 5.597 30 20 IKED Cc1cc(N2CCSCC2)ccc1NC(=O)c1ccccc1Sc1ccccc1C#N 65036167 MOIBOIWUBGIJJT-UHFFFAOYSA-N 445.613 5.823 30 20 IKED C=CCN(C(=O)c1sc(NC(=O)c2ccco2)cc1C)c1nc2c(s1)CCCC2 105450404 OSOXSSJNYIYDMU-UHFFFAOYSA-N 427.551 5.070 30 20 IKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N(Cc1ccc(C#N)cc1)C(C)C 220097638 YFHKKDRBUPJXBB-UHFFFAOYSA-N 433.555 6.062 30 20 IKED C[C@H]1C[C@H](C)CN(Cc2ccccc2CNCc2cn(CCC#N)nc2-c2ccccc2)C1 237561234 JKOSLRLBHOTHKL-GOTSBHOMSA-N 441.623 5.231 30 20 IKED C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1cccc(OCc2ccccn2)c1 237598009 XVOGQNDQZCOCQD-QFIPXVFZSA-N 449.554 5.962 30 20 IKED C[C@@H](CCCC(F)(F)F)NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 427963492 XPBFEVQUYWAKAM-HNNXBMFYSA-N 449.498 5.140 30 20 IKED N#CCCC[C@H](NCc1nc2cc(Cl)ccc2n1Cc1ccccc1)c1ccccc1 433012554 LAWCKGJWHBRHIC-QHCPKHFHSA-N 428.967 6.263 30 20 IKED N#CCCC[C@H](NC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1ccccc1 433164745 ADPGUDSZZJJOPD-ZOYWYXQUSA-N 445.588 5.692 30 20 IKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 437802625 RMRDMCJYNTVLBL-NOZRDPDXSA-N 438.531 5.551 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 438501150 SLHXVJVAWXEGSR-VJQVOXFUSA-N 443.572 5.298 30 20 IKED CCCc1c(NC(=O)c2cnc(Cc3ccccc3F)s2)cnn1-c1cccc(C#N)c1 440088148 NEYIPDVMLAGIIB-UHFFFAOYSA-N 445.523 5.135 30 20 IKED COc1cc(CNC(=O)N[C@H](CCC#N)c2ccccc2)ccc1OCc1ccccc1 440219851 UXVRIHOQDNIDEA-HSZRJFAPSA-N 429.520 5.118 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc(C(F)(F)F)cs1 443433526 ZMXCHQQTOQKBFF-UHFFFAOYSA-N 446.907 5.464 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)c2ccccc21 444291118 KRKMMALQDOBCTD-UHFFFAOYSA-N 428.467 5.310 30 20 IKED Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 467168649 JPWQDSXSVKUKKR-GOSISDBHSA-N 445.567 5.474 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cc2cc(Br)ccc2[nH]1 467337025 SWCQVZADQWKTBL-ZDUSSCGKSA-N 443.370 5.504 30 20 IKED CC(C)(NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nc(C(F)(F)F)cs1 467605982 DMZRIRPMRGPPPM-UHFFFAOYSA-N 446.454 5.883 30 20 IKED O=C(c1ccnc(Oc2ccc(F)cc2F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 469278640 OAUMFXJRFNQJIB-UHFFFAOYSA-N 440.290 5.109 30 20 IKED CC[C@H](CN(C)Cc1nnc(-c2cccc(C#N)c2)o1)Oc1ccc(Cl)c(Cl)c1 469744602 LLKYAXZUIVRBOV-MRXNPFEDSA-N 431.323 5.204 30 20 IKED Cc1cc(Br)cc2c(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)coc12 473486934 HULMLLWPXFSQFL-ZDUSSCGKSA-N 444.235 5.739 30 20 IKED C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)COc1cc(Cl)ccc1C#N 474389764 OHQAEHUCFDOULF-KRWDZBQOSA-N 447.922 5.062 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 475547655 KOLBPESADXTWJW-SFHVURJKSA-N 440.975 5.470 30 20 IKED N#CC[C@H](CC(=O)N1CCC[C@@H]1c1ccc(I)cc1)c1ccccc1 476198415 SPNMZLBWQBMTHV-UYAOXDASSA-N 444.316 5.042 30 20 IKED CCOc1ccc(-n2c(SCc3ccc(F)cc3C#N)nnc2-c2ccncc2)cc1 483156440 KPLIXBCSTWNERB-UHFFFAOYSA-N 431.496 5.031 30 20 IKED C=CCOc1ccc(C(=O)Nc2cc(C)nn2-c2cccc(C(F)(F)F)c2)cc1OC 486206313 KAFSOPKDCDMIKW-UHFFFAOYSA-N 431.414 5.025 30 20 IKED COc1cc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1OC(F)F 488014781 OABCCZAJQSUKGF-UHFFFAOYSA-N 440.421 5.150 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)nnc1-c1ccccc1C 488903474 AIBHLEMFDBSXJA-OAHLLOKOSA-N 442.972 5.221 30 20 IKED N#C[C@@H](C(=O)c1cc2ccccc2n1CC(F)(F)F)c1nc(-c2ccncc2)cs1 490777414 QRENZOXBHFDEDX-HNNXBMFYSA-N 426.423 5.212 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H]2CCN(CCc3ccccc3)C2)cc1 491648825 RHMADAUWUCCDKH-JOCHJYFZSA-N 440.547 5.037 30 20 IKED COc1ccc([C@H](NC(=O)c2ncc(C#N)cc2Cl)c2ccc(C(F)(F)F)cc2)cc1 492102586 ZWZDZKCGAIJJLC-LJQANCHMSA-N 445.828 5.153 30 20 IKED N#CC1(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3OC(F)F)cs2)CCCCC1 494005364 YNFCNSIBHFYDCB-UHFFFAOYSA-N 443.422 5.425 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3nc4c(Br)cccc4s3)CC2)cc1 494367194 LZRGSLOXOUAHBU-UHFFFAOYSA-N 439.338 5.252 30 20 IKED C=CCC[C@H](C(=O)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1)c1ccccc1 494884985 CSOJLSRLJRFJFT-QUCCMNQESA-N 442.485 5.204 30 20 IKED C=CCN(C(=O)c1ccnc(SCC(F)(F)F)c1)c1nc(-c2ccccc2)cs1 495786074 LHGINQIDYFCWEA-UHFFFAOYSA-N 435.496 5.692 30 20 IKED N#C[C@@H](C(=O)c1cnc(OC2CCCCC2)c(Cl)c1)c1nc2ccccc2n1C(F)F 496354578 FJBMEXCYFYAQMD-HNNXBMFYSA-N 444.869 5.681 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OCc4cccnc4)c3)n2)cc1 503428768 DHXWDEOJYQLHCP-QFIPXVFZSA-N 441.512 5.283 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1[C@H](C)CC 504283091 YZYYHAIBSPPHKG-QGZVFWFLSA-N 438.622 5.925 30 20 IKED N#C[C@@H](C(=O)c1ccc(CCC(F)(F)F)cc1)c1nc(-c2c(F)cccc2F)cs1 504552217 BFFJJCFHVSZBFH-AWEZNQCLSA-N 436.405 6.073 30 20 IKED Cc1nc(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)sc1SCC#N 504692478 QWKCTCURLSSSHN-UHFFFAOYSA-N 448.809 6.494 30 20 IKED O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)N[C@@H](c1ccc(F)cc1)C(F)(F)F 504841763 GEDHTBJSUYQPHH-INIZCTEOSA-N 435.343 5.129 30 20 IKED CC(C)c1ccc(CSc2nnc(SCC(=O)c3ccc(C#N)cc3)s2)cc1 504886780 DCSATTPLSHDRSR-UHFFFAOYSA-N 425.604 5.800 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 505046284 RHQKDAZRSGFVGC-UHFFFAOYSA-N 446.378 5.995 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](c1ccccc1)[C@H]1CCCc2ccccc21 505490842 IDJTVPIKAODGGZ-XTEPFMGCSA-N 440.591 5.324 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccccc2)nc2ccccc12)c1nc(-c2ccncc2)cs1 505705935 LPWDSALZPHRASL-NRFANRHFSA-N 432.508 5.910 30 20 IKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 506175110 KEBXDRVOLPASNH-RUZDIDTESA-N 446.982 5.074 30 20 IKED CN(CCCOc1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509919817 NYZBOAHYDBZSIH-UHFFFAOYSA-N 429.520 5.264 30 20 IKED Cc1cc(Br)ccc1N(C)C(=O)c1ccc(OCc2ccccc2C#N)cc1 510034092 KOUBDZSBEWGXEG-UHFFFAOYSA-N 435.321 5.485 30 20 IKED N#Cc1ccc(OC2CCN(Cc3nnc(-c4ccc(Cl)cc4Cl)o3)CC2)c(F)c1 512811559 HWSBONKXENWUEM-UHFFFAOYSA-N 447.297 5.098 30 20 IKED Cc1nn(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cc2)c(C)c1Cl 512974312 DTUMYVWBMQQGOC-SFHVURJKSA-N 433.924 5.151 30 20 IKED N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3C(F)(F)F)n2)c1 513334711 JFEKJEPKRJFMGB-UHFFFAOYSA-N 448.404 5.807 30 20 IKED N#C[C@H](C(=O)c1ccc(I)cc1)c1nc2cc(Cl)ccc2s1 515547180 NLTYLLRQIPKPSA-GFCCVEGCSA-N 438.677 5.044 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NCCC(=O)Nc1sccc1C#N 516685518 XKEBEMWGDJNLTG-LBPRGKRZSA-N 430.986 5.385 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 517530504 USAMBIQWDSLFJC-INIZCTEOSA-N 436.512 5.729 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCCN(Cc4ccc(F)cc4)CC3)cc2)c1 517532113 KLFDVSCAOTYHOG-UHFFFAOYSA-N 444.510 5.229 30 20 IKED C[C@@H](Cc1cccc(Br)c1)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 518755342 GCCAJELGLQIWCM-GJZGRUSLSA-N 432.387 5.596 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C1=Cc2cc(Br)ccc2OC1 519424727 BQMREFXIJRJKAN-ZDUSSCGKSA-N 429.339 5.115 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3cccc(OCc4ccc(F)cc4)c3)CC2)c1 520590643 RWIXZIVGSDVLTE-UHFFFAOYSA-N 445.494 5.352 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)N[C@@H](c3ccccc3)c3cccc(Cl)c3)CC2)c1 520620222 SOMOKBIJZQEYGJ-VWLOTQADSA-N 445.950 5.554 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(COCc2ccccc2)cc1 521786492 AICRIANTBNHKED-UHFFFAOYSA-N 441.575 5.643 30 20 IKED C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 522456237 MTHJFJPBNXGGHD-GBXCKJPGSA-N 425.532 5.742 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)ccc1NC(=O)c1cccs1 533927526 CVSPPFRHLIXDOB-QGZVFWFLSA-N 444.541 5.317 30 20 IKED CCN(C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1)c1ccc(C#N)c(Cl)c1 538072339 FFJWAFFUIDQCII-UHFFFAOYSA-N 433.817 5.368 30 20 IKED CCn1c(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)nc2cc(C)ccc21 539462522 YRTDVHPAOWLTTQ-UHFFFAOYSA-N 426.524 5.011 30 20 IKED C[C@H](Nc1cccc(OCCCC#N)c1)c1cccc(OCc2cn3ccccc3n2)c1 539626359 GJJYMFMTJNAJPL-FQEVSTJZSA-N 426.520 5.769 30 20 IKED CCN(CC)C(=O)CCC1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 541065735 SVHBEOPHCCBTKC-UHFFFAOYSA-N 448.567 5.243 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)[C@H]3CC=CC[C@H]3c3nc4ccccc4s3)n2)c(F)c1 542062099 OTOMNJHONXUEOS-DLBZAZTESA-N 443.507 5.181 30 20 IKED CC(C)c1c(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)cnn1-c1cccc(Cl)c1 542928640 SODLENPSCJMQLW-UHFFFAOYSA-N 448.889 5.098 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c2c(nc3ccccc13)CCN(C)C2 551996609 VYMVZOJKKNTQOI-UHFFFAOYSA-N 448.526 5.447 30 20 IKED C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 555265994 PZUKCOFZVAGXMB-LJQANCHMSA-N 442.498 5.057 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(CCC#N)c1ccc(F)cc1 561800170 WAJBAVWHGRTYRE-UHFFFAOYSA-N 429.904 5.384 30 20 IKED C[C@H](NC(=O)[C@@H](C)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1cc2ccccc2o1 576038503 XUEQMIVHOQITGK-DLBZAZTESA-N 426.476 5.170 30 20 IKED O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)N[C@H](CC(F)(F)F)c1ccc(F)cc1 578059680 HKTFJEAAGFMKAS-NVXWUHKLSA-N 436.371 5.540 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)c3occc3COc3cccc(C#N)c3)CC2)c(C)c1 588083496 HDYRKHFYJNJSMK-UHFFFAOYSA-N 442.515 5.082 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 590332887 QFXFXPRUVJYKLE-UHFFFAOYSA-N 435.474 5.366 30 20 IKED COc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1OC(F)F 603673194 ICFPZWVQRBHFKZ-SFHVURJKSA-N 442.849 5.858 30 20 IKED CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c12 603739761 BNWROBLHRHKXFM-UHFFFAOYSA-N 439.475 5.364 30 20 IKED CCn1nc(C(C)C)cc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 603758647 YDCHAQKNQXSHBC-UHFFFAOYSA-N 447.486 5.216 30 20 IKED COc1cc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc(OC)c1Br 603968014 HNCDUCWQZKYFDL-UHFFFAOYSA-N 443.322 5.319 30 20 IKED N#Cc1c(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)sc2c1-c1ccccc1CC2 603992294 PPIJIWGAESURIR-UHFFFAOYSA-N 449.535 5.890 30 20 IKED C=CCOc1c(Br)cc(CN[C@H](CC)c2ccc(F)cc2F)cc1OC 606471304 QKHPXNODVDQJKX-GOSISDBHSA-N 426.301 5.542 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 608841095 KNDXZDQVBZLBGA-DQEYMECFSA-N 427.504 5.701 30 20 IKED C[C@@H](SCC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)c1nc2ccccc2[nH]1 609064409 UOXFDBHQPVEOJV-QGZVFWFLSA-N 442.544 5.446 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)c1 609066745 JQBYNEKHQLMUPI-UHFFFAOYSA-N 430.414 5.265 30 20 IKED C[C@H](NC(=O)N(C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)c1ccc(C#N)cc1 609212417 IHMJYJVAGSECKE-SFHVURJKSA-N 433.531 5.203 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCCO[C@H](c3ccccc3)C2)cc1 609233016 LRIRFNXVABVDKB-DEOSSOPVSA-N 428.557 5.454 30 20 IKED Cc1ccc(Cl)c(OCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 609378622 TXMPVZGUXUEISF-UHFFFAOYSA-N 428.863 5.691 30 20 IKED Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CC(=O)N(CCC#N)c2cccc(C)c2C)n1 609498498 GZKCWRAYFSGMNL-UHFFFAOYSA-N 442.350 5.124 30 20 IKED C[S@@](=O)c1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 610630105 CRCTWEJXVCAGSU-SSEXGKCCSA-N 439.924 5.063 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1C(F)F 611252283 DHOXKFKVZYTUJT-JTQLQIEISA-N 441.187 5.161 30 20 IKED CC(C)[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccnn1C 615974306 GTTJFVRYUSTNBP-LEWJYISDSA-N 435.959 5.290 30 20 IKED C=CCn1c(SCC(=O)N(CC(C)C)C2CC2)nnc1-c1ccc(Cl)cc1Cl 642139971 HBCVDZDQLLRLCQ-UHFFFAOYSA-N 439.412 5.177 30 20 IKED CC[C@H](CNC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)Oc1ccccc1F 674029697 QZIDWROBXQFNAW-ZOBORPQBSA-N 444.391 5.192 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nn1C1CCCCC1 678970610 UNUTXKXPMPHNQG-HNNXBMFYSA-N 432.471 5.815 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N(C)[C@H]1CCCc2c1cnn2C 685540118 MFFCXCHNVOGKHW-JPYJTQIMSA-N 442.567 5.005 30 20 IKED CCn1c(NN=C2CCCc3nc(-c4ccc(C)cc4)sc32)nc2ccccc2c1=O 727648416 DNTNISKKMIDCEI-UHFFFAOYSA-N 429.549 5.001 30 20 IKED Cc1ccccc1CN(C)C(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728298411 UDSISUWCSBQWLV-LJQANCHMSA-N 431.511 5.044 30 20 IKED COc1ccccc1NC(=O)[C@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(C)C 728669117 JPMVHDUOLLHVSE-XMMPIXPASA-N 444.487 5.179 30 20 IKED C[C@@H](CC#N)N(C)Cn1nc(-c2ccc(Cl)cc2Cl)n(Cc2ccco2)c1=S 728902591 STXYLBHGEIENNK-ZDUSSCGKSA-N 436.368 5.221 30 20 IKED N#C[C@H](NC(=O)/C=C\c1nc2ccccc2s1)c1ccc(OCc2ccccc2)cc1 729369198 CUMPXHATRMPWSB-MTVZPNFRSA-N 425.513 5.270 30 20 IKED Cc1csc(SCc2ccccc2C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)n1 730422264 VCCJTMDVXRRFEB-INIZCTEOSA-N 439.562 5.983 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C(C)(C)c1ccccc1Cl 731078617 PBZRSXSUWGYAQQ-HNNXBMFYSA-N 430.957 5.051 30 20 IKED Cc1cc(C=Nn2c(C)nc3sc4c(c3c2=O)CCCCC4)ccc1Oc1cccnc1 732710760 RLNTTWFYBAEXEK-UHFFFAOYSA-N 444.560 5.413 30 20 IKED N#CCOc1ccc(COC(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)cc1 733490776 WQRWUVYXZRBLNM-JOCHJYFZSA-N 425.456 5.444 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(SC3CCCC3)cc2)ccc1OC 733620706 CICWAKNSPRIHFK-IBGZPJMESA-N 439.581 5.733 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2sc(-c3ccccc3)nc2C)c1 733801577 LWOYBTHLSCTYBD-XLIONFOSSA-N 434.565 5.360 30 20 IKED CN(Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCSc2ccc(Br)cc21 735309056 DRSBUZFILXGBOL-QGZVFWFLSA-N 437.790 5.674 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c(OC)c1 740059260 IICNSXVTWXNMJP-JOCHJYFZSA-N 447.560 5.351 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCC(CN4CCCCCC4)CC3)c2)s1 740482870 GRJDSBFLWHKZCJ-UHFFFAOYSA-N 436.625 5.084 30 20 IKED Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N=C2SCCC(C)(C)C#N)cc1 741447627 UVWSDUHUYFEWRH-UNOMPAQXSA-N 433.533 5.141 30 20 IKED COc1cc(/C=C(\Cl)c2ncc(-c3ccccc3Br)o2)ccc1OCC#N 741843189 OIBQLFRDAPNWRI-YBEGLDIGSA-N 445.700 5.752 30 20 IKED CN1/C(=C/C(=O)CSc2nnc(CCCc3ccccc3)o2)C(C)(C)c2ccccc21 742460263 CGFBPJZGVOJRSK-CJLVFECKSA-N 433.577 5.218 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 742766702 OQSBMAKUNYFTLC-UHFFFAOYSA-N 445.475 5.336 30 20 IKED C[C@H](OC(=O)c1c[nH]cc1-c1ccc(Cl)s1)C(=O)N(CCC#N)c1ccc(F)cc1 744831873 GJKDQUWDRFPYSH-ZDUSSCGKSA-N 445.903 5.028 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)/C=C\c1cnc(C(C)(C)C)s1 745676894 JTXBZYNNBKUNSZ-FJVVXJACSA-N 443.594 5.030 30 20 IKED CC(=O)N(c1ccccc1)c1nc(C=NNc2ccc(Br)cc2Cl)cs1 750938844 PBQNEQJWKYFACG-UHFFFAOYSA-N 449.761 5.690 30 20 IKED FC(F)(F)c1cnc(NN=Cc2cn(-c3ccccc3)nc2-c2ccncc2)c(Cl)c1 751400499 PXDUQOUOYHKRHY-UHFFFAOYSA-N 442.832 5.448 30 20 IKED N#Cc1cccc(COc2ccc(NCc3nnc(-c4cccc(F)c4)o3)cc2Cl)c1 760455774 OMESWJDEDZGNCL-UHFFFAOYSA-N 434.858 5.592 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(OCc3ccccc3F)cc2)c1 766613900 GKZIIBYYODMJOL-JOCHJYFZSA-N 447.510 5.085 30 20 IKED C#CCCN(CC(F)(F)F)C(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C 767201541 CTIOHPOHGLQLBN-UHFFFAOYSA-N 428.458 5.015 30 20 IKED CCOc1cc(/C=C2\CCc3nc(O)ccc3C2=O)ccc1OCCOc1cccc(C)c1 769610702 SWEFMLATKPIFPO-CAPFRKAQSA-N 445.515 5.165 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3C[C@@H](O)c3ccc(F)cc3)cc2)cc1 773265174 LDWLENZBUITQNL-WIOPSUGQSA-N 445.494 5.610 30 20 IKED Cc1cc(C2CCN(C(=O)Nc3ccc(F)cc3OCC#N)CC2)ccc1Br 779441761 DGXNPIGQUVYVSG-UHFFFAOYSA-N 446.320 5.211 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 780147466 HIPWRJYWPXGFRG-VGOFRKELSA-N 447.922 5.131 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)Nc3ccccc3O[C@@H](C)C#N)cc12 780151989 PLULQVUREHUAFV-ZDUSSCGKSA-N 436.924 5.592 30 20 IKED C=C(C)CSC1=N/C(=C/c2ccc(N(C)C)cc2)C(=O)N1c1ccc(OC(F)F)cc1 780655487 AHRMRKFAJBZVBV-DEDYPNTBSA-N 443.519 5.407 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1C#N 784755193 HSRYWYWZDGOFMM-OAHLLOKOSA-N 431.483 5.201 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cccc(CN(C)Cc2ccccc2)c1 784821420 RMNYOMZKZMJYEC-XMMPIXPASA-N 435.527 5.314 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1cnc2ccccc2n1 792101571 BEKKFQZWSZGPNO-OAHLLOKOSA-N 437.286 5.401 30 20 IKED CCOC(=O)Nc1ccc(Br)cc1NC(=O)c1ccc(C(C)(C)C#N)cc1 793746921 HYOKFWBXLOXVSF-UHFFFAOYSA-N 430.302 5.071 30 20 IKED C[C@@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)C(=O)Nc1ccccc1Cc1ccccc1 796036881 PBXFENFIYADTJJ-LJQANCHMSA-N 426.516 5.263 30 20 IKED C[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccc(C(F)(F)F)cc1 798816783 OXWIKICZLXKYNE-ZBEGNZNMSA-N 442.409 5.471 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)c3ccc(C(F)(F)F)cc3)n2)cc1 798819899 NDAAYRMFXZKTFD-ACJLOTCBSA-N 430.451 5.817 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ncccc1Oc1ccccc1 799562524 VPKJQKMQURDFBF-QGZVFWFLSA-N 447.516 5.064 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CC(C)(C)CCC#N)cc1 807936087 XHGRMLJQAVMNGU-OAQYLSRUSA-N 448.592 5.285 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1 814635866 PDTVDZQOEVNRRL-QFWMQHCXSA-N 431.561 5.677 30 20 IKED Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1conc1Cc1ccccc1 814730594 DOZKYNWZMLOLQO-UHFFFAOYSA-N 430.320 5.002 30 20 IKED N#Cc1cc(C(=O)OCc2ccc(Oc3ccc(Cl)cc3)nc2)cnc1C(F)(F)F 815972233 BUQZADXKMSQEQL-UHFFFAOYSA-N 433.773 5.170 30 20 IKED O=[N+]([O-])c1cc(C=NOCc2cc(Cl)ccc2OC(F)F)ccc1N1CCCC1 852306036 XMDMEORACTUHBK-UHFFFAOYSA-N 425.819 5.001 30 20 IKED CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)C1 904311003 REKHTPAHPKHNPQ-PKAMJGAUSA-N 448.445 5.010 30 20 IKED CCN(C[C@H]1COc2ccccc2O1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915351589 ADLWZKDLLVYKKO-GOTSBHOMSA-N 427.504 5.036 30 20 IKED CC1=NN(c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc2)CC1 916906429 QYBLWMVKQLHSDM-QFIPXVFZSA-N 438.487 5.026 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2sc(C)nc2-c2ccc(C)cc2)cc1 916948118 SCGWDUQMITUJQQ-VGOFRKELSA-N 445.588 5.831 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3cccc(F)c3)n2)cc1 916953936 FIHXYSPPDBHYIO-VFNWGFHPSA-N 435.524 5.353 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NNC(=S)Nc2cccc(C)c2C)cs1 917532493 XGLBOJTXEMFWNZ-UHFFFAOYSA-N 437.594 5.073 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2OCC(F)(F)F)cc1 918034717 WITGDEBWJHHDSO-OAQYLSRUSA-N 439.437 5.605 30 20 IKED Cc1cc(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C)n1-c1ccc(F)cc1 918685542 LLJCFFKSELAJKX-OKILXGFUSA-N 436.371 5.436 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1nc2ccccc2n1C(F)F 920113212 SONISBROJDQQHT-NSHDSACASA-N 448.907 5.689 30 20 IKED N#C[C@@H](C(=O)COc1cc(Cl)c(Cl)cc1Cl)c1nc(-c2ccncc2)cs1 920264916 DCWMXTIVVMRXJS-NSHDSACASA-N 438.723 5.421 30 20 IKED Cc1csc([C@@H](C#N)C(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)n1 921250580 XFGGREPWMRLPQA-SFHVURJKSA-N 434.521 5.169 30 20 IKED C=CCSc1ccccc1NC(=O)COC(=O)Cc1sc(C)nc1-c1cccs1 921275812 INBZZEJNNKHHLZ-UHFFFAOYSA-N 444.603 5.183 30 20 IKED N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)c2ccc3c(O)ncnc3c2)cc1 1299467519 XXAPVJINEHLVDL-UHFFFAOYSA-N 432.892 5.264 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(F)cc4Cl)CCC3)cc2)C1 1785804379 CXWMGGAKJKXYHW-UHFFFAOYSA-N 426.919 5.122 30 20 IKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC2)cc1Cl 1789574027 NKTQWOZTYZSOBQ-JFLMPSFJSA-N 449.938 5.108 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc4ncsc34)CCC2)cc1 1791728833 ARXJTFOVKDPHIO-UHFFFAOYSA-N 431.561 5.238 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)n4cccc4)cc3)CCC2)c1 1791792284 WQLDCMHGWHTUPC-UXHICEINSA-N 440.547 5.124 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(OC)c(Cl)c3)CC2)C1 1804868500 DMOJUVCUHGBBNT-UHFFFAOYSA-N 447.019 5.186 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(Cl)c2)[C@H]1c1cccnc1 1811820002 SHZZYKWFXIGZQL-RBBKRZOGSA-N 439.987 5.047 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nc(C(C)C)cs2)[nH]n1 1819303729 NQSAMWGOPDWISF-APWZRJJASA-N 441.601 5.064 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccccc3o2)[nH]n1 1819305286 HFXBVVUNVQKGKQ-ICSRJNTNSA-N 432.524 5.230 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3cnccc23)[nH]n1 1819307373 SQQXRNFKKLZDAL-WMZHIEFXSA-N 443.551 5.032 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(F)c2Cl)[nH]n1 1819309534 VZPPTINOHFVUOX-KXBFYZLASA-N 444.938 5.277 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(C(F)(F)F)CCC2)[nH]n1 1819553710 SNHQBFANVGRZCA-INIZCTEOSA-N 440.510 5.127 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCc3ccccc32)[nH]n1 1819557060 VGYVRVADRPRNMX-IRLDBZIGSA-N 434.584 5.124 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C3CC3)cc2)n[nH]1 1821303506 AKDUWMXWYFDRAK-FYYLOGMGSA-N 432.568 5.361 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)n[nH]1 1822105005 UAPQOXMCZMVXFV-ONTIZHBOSA-N 426.605 5.058 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C(F)(F)F)c2C)n[nH]1 1823289306 BNDHPLAQNFNTAS-IFXJQAMLSA-N 448.489 5.255 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1 1823682372 CIIMGNRWKXOJJQ-RUZDIDTESA-N 449.639 5.103 30 20 IKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(C)(C)C)oc2C)CC1 1825949723 RJXIACHXVYZMMX-NRFANRHFSA-N 446.657 5.038 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(C)(C)C)oc2C)CC1 1825951655 VYUYPLACJOLLNB-GCJKJVERSA-N 428.617 5.331 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc3ccccc3c2)CC1 1826400644 RBIXAEMMUOGNJK-RLWLMLJZSA-N 432.608 5.214 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3ccoc3c2)CC1 1829068559 DEOSDRYJZDXNBR-QHCPKHFHSA-N 436.596 5.659 30 20 IKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1829576391 AIAGCKKDGHMTDW-QFIPXVFZSA-N 447.604 5.259 30 20 IKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2C)CC1 1831853497 XWYGMIKGNUSXPX-JOCHJYFZSA-N 448.529 5.051 30 20 IKED Cc1cc(C(=O)/C(=C(\S)Nc2cccc(Cl)c2)[n+]2ccc(N(C)C)cc2)c(C)s1 10831419 BVBFZINFONJSAI-UHFFFAOYSA-O 445.033 5.423 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2cccc3ccccc23)cc1 11125819 LIVGBVOEZXOUKZ-UHFFFAOYSA-O 439.604 6.357 30 20 IKED C=CCn1c(SCc2csc(-c3cccs3)n2)nnc1-c1ccc(OC)cc1 18771534 XUJMMCKVLOIFDQ-UHFFFAOYSA-N 426.592 5.617 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(C(C)C)cc2)c1 22728626 SKVCTGYKKKPJEW-UHFFFAOYSA-O 425.524 5.735 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@H](CC)c1ccc(Cl)cc1 32785936 ZNGMVJGLTVIENR-HXUWFJFHSA-N 441.000 5.068 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1 62904157 RBSYWSUEJRONHD-UHFFFAOYSA-N 430.508 5.235 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N(CCc3cccc(F)c3)C3CC3)c2)cc1 303525644 GAHSFGNTBANWDZ-UHFFFAOYSA-N 443.522 5.710 30 20 IKED Cn1c(CCNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)nc2ccc(F)cc21 303660274 MRXYBMQBSZUZNO-UHFFFAOYSA-N 448.885 5.002 30 20 IKED N#CCCn1cc(C(=O)CSc2nnc(-c3cccc4ccccc34)o2)c2ccccc21 303862011 MABUILPIUBSWSK-UHFFFAOYSA-N 438.512 5.733 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)Sc1ccnc2cc(Cl)ccc12 426276745 HNLPEUXHBDIQHC-GJZGRUSLSA-N 442.009 6.259 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)c3nc(-c4ccc(OC)cc4)no3)o2)cc1 428328967 GUOWTOIUMYFDFQ-AWEZNQCLSA-N 436.493 5.213 30 20 IKED CC(C)CCN(CCC#N)C(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1 428897790 YVKJFNYSUUOHHH-UHFFFAOYSA-N 446.551 5.499 30 20 IKED C=CCC[C@H](NC(=O)N1CCCC[C@H]1c1nccn1CC)c1ccc(C(F)(F)F)cc1 430886427 AIXADNJFXJQUNE-PMACEKPBSA-N 434.506 5.866 30 20 IKED O=C(c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 434038616 VFLKRWWECLAXKZ-ACJLOTCBSA-N 449.366 5.287 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccn(-c2ccccc2F)n1 438299469 CBKXJANALKZTNF-MRXNPFEDSA-N 440.569 5.278 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cc(F)c(F)cc3Br)c2)c1 440772294 UHCBQEPZDIBLMF-UHFFFAOYSA-N 443.247 5.430 30 20 IKED C[C@@H](NC(=O)NCC1CCC(C#N)CC1)c1nc(-c2ccc(Br)cc2)cs1 440999520 PEQWXVLRAHAOCQ-WLYUNCDWSA-N 447.402 5.263 30 20 IKED COc1cc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc(OC)c1OC(F)F 443850701 BIAXUBOXJJGDEA-UHFFFAOYSA-N 430.432 5.158 30 20 IKED CC(C)(C#N)CCSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1 463028548 NLHFLUXIWUSHEH-UHFFFAOYSA-N 434.952 6.637 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc(C)c1OCc1cccnc1 464466279 LCHMINJPSALIQA-LJQANCHMSA-N 425.410 5.181 30 20 IKED N#CCSc1ccccc1NC(=O)CN[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 467762854 DNSFOYWHLYLKPT-HSZRJFAPSA-N 439.943 5.412 30 20 IKED C[C@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)c1cccc(SCC#N)c1 469299324 GXWBTJYYMXMSPC-SGTLLEGYSA-N 433.396 5.278 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)Nc1cc(Cl)ccc1OCC1CCC1 469884982 QZDYOYGBUFLJPE-UHFFFAOYSA-N 425.916 5.138 30 20 IKED COCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c(Cl)c1 473479931 FBUGBUFPSBHTND-SFHVURJKSA-N 426.925 5.287 30 20 IKED CC[C@@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)c2cccs2)cc1 481508595 WKRFRHBMHHTOIZ-QRQCRPRQSA-N 435.524 5.117 30 20 IKED N#CC[C@@H](CC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)c1ccccc1 483146652 XZVWFOBJTBCFHU-INIZCTEOSA-N 441.409 5.577 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)CCCc3cccs3)s2)c(C(F)(F)F)c1 487384493 ATVSSRHJRNRCLL-UHFFFAOYSA-N 435.496 5.647 30 20 IKED COc1ccc(NC(=O)[C@@H](Sc2nc(C(F)(F)F)ccc2C#N)c2ccccc2)cc1 488737908 SLVSGVDNYYDOJM-IBGZPJMESA-N 443.450 5.453 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)Cc1cn(C)nc1-c1ccc(C#N)cc1 490565418 JBVKRJROBCXVCV-GOSISDBHSA-N 427.577 5.584 30 20 IKED C[C@H]1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)c2cc(C(F)(F)F)ccc2S1 494453709 GVLUOERPZYHWCI-AWEZNQCLSA-N 442.466 5.294 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)NC23CCC(C(F)(F)F)(CC2)CC3)CC1 495020167 UXHCXZPFMXRMKE-UHFFFAOYSA-N 435.490 5.203 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc3ccccc3n2CC(F)(F)F)cc1 495112801 TVBSVYXDEMFSBC-UHFFFAOYSA-N 441.453 5.270 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 495713383 QFWSRKNGFPLXPL-STQMWFEESA-N 437.311 5.650 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3nc(C4CC4)sc3c2)cc1C 500112874 VDIWFXKAZYZIMC-UHFFFAOYSA-N 441.560 5.820 30 20 IKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2ccccc2Cc2ccccc2)CC1 501121661 OJRATWCZAGXTBF-UHFFFAOYSA-N 447.542 5.051 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 504917327 DAEWSPOYWZDXLV-UHFFFAOYSA-N 425.838 5.595 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1 505939552 WUNXMDGRAZUMKD-GOSISDBHSA-N 429.467 5.369 30 20 IKED C=CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](COCc2ccccc2)C1 508844700 KHLQTYIYSLNFAR-JOCHJYFZSA-N 434.609 5.108 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)cc1 510686996 XOGQKKXTGHBEPB-UHFFFAOYSA-N 439.515 5.786 30 20 IKED C[C@H]1C[C@H](C)CN(CCCCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 511413500 HUDCESXMEVSTLC-VXKWHMMOSA-N 448.611 5.211 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCc1c(-c2ccccc2)nc2ccccn12 512061379 BPPCAACQNKODBN-UHFFFAOYSA-N 437.572 5.662 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 513109526 YXKFIVJEGQCXQG-HNNXBMFYSA-N 446.511 5.198 30 20 IKED Cc1ccc(-c2nc(CC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)cs2)o1 513160606 NLDCFLOCSYNDBW-UHFFFAOYSA-N 429.501 5.865 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(COc2ccccc2)c1 518166095 VCMPIWHWBNKZEQ-IBGZPJMESA-N 431.561 5.839 30 20 IKED CCOC(=O)C[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(F)cc1 518259871 QRNCODTTZOINAL-DNVCBOLYSA-N 429.517 5.036 30 20 IKED Cc1ccc(C)c(Oc2ccc(CNC(=O)Nc3ccccc3SC[C@H](C)C#N)cn2)c1 518683072 HQQQTLZNYCTVGU-GOSISDBHSA-N 446.576 6.064 30 20 IKED CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 520599648 CKZZTXZWSHDYNL-SFHVURJKSA-N 442.519 5.657 30 20 IKED COc1ccccc1[C@@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)N1CCCC1 520938121 QGRVAMOKEZNQGM-WIYYLYMNSA-N 438.597 5.048 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)NCCCc2cccc(C(F)(F)F)c2)c1 523274049 NBBFRHDIRKKYQL-UHFFFAOYSA-N 428.410 5.112 30 20 IKED N#CCCn1ccc(NC(=O)c2oc3ccccc3c2CSc2ccccc2Cl)n1 524004860 HFUCILJPFLETDQ-UHFFFAOYSA-N 436.924 5.741 30 20 IKED N#CC1(c2ccc(C(=O)Nc3ccc(C(=O)N4CCC[C@@H]4c4ccccc4)cc3)cc2)CC1 537420580 RQGZLLBIFKJZID-RUZDIDTESA-N 435.527 5.471 30 20 IKED Cc1nc(NC(=O)c2sc(C(C)(C)c3ccccc3)nc2C)sc1SCC#N 539840766 KTFOAGUKFGRVRG-UHFFFAOYSA-N 428.608 5.410 30 20 IKED Cc1onc(-c2ccccc2)c1-c1nnc(CSc2ccc(C#N)c(C(F)(F)F)c2)o1 541075099 OUPKSGNIJUMBLM-UHFFFAOYSA-N 442.422 5.883 30 20 IKED Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(C)n1Cc1ccncc1 547290811 MGQVBOKNXFIMFX-UHFFFAOYSA-N 436.515 5.251 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 549698750 IAAZULJYSRTKTF-HOYKHHGWSA-N 445.542 5.032 30 20 IKED Cc1c(C#N)c(NC(=O)CCN2CC(C)(C)[C@H]2c2cccs2)n(Cc2ccco2)c1C 558181826 STPIWFIXXNFMAU-JOCHJYFZSA-N 436.581 5.091 30 20 IKED N#Cc1cccc(C2(NCc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)CC2)c1 560072587 KTKHCWGYWNBHAM-UHFFFAOYSA-N 438.281 5.268 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 562164348 LKYJOOGHOQVUMD-CJFMBICVSA-N 434.609 5.068 30 20 IKED Cc1nc([C@H](C)Nc2ccc(Oc3ccnc(C#N)c3)cc2)oc1-c1ccc(Cl)cc1 564559106 MGCVZYFCOFQNTC-INIZCTEOSA-N 430.895 6.536 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCCC[C@@H]3c3nnc(C4CCC4)o3)c2)cc1 564685492 NETQLXJBXWEPHB-JOCHJYFZSA-N 428.492 5.368 30 20 IKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 565863087 NGWLSZNLYCEMAF-HNNXBMFYSA-N 440.425 5.989 30 20 IKED CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1 566574490 CVFHUIXDYVQOQU-CQSZACIVSA-N 429.611 5.234 30 20 IKED C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(c2c[nH]c3ccc(OC)cc23)CC1 569142380 MTORROLHAFZAFO-UHFFFAOYSA-N 442.567 5.099 30 20 IKED C[C@H](NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(-c2cccc(C#N)c2)cc1 572072168 ZGBMYMFYTFHRJO-AVRWGWEMSA-N 427.504 5.276 30 20 IKED CCCOc1ccc(Br)cc1-c1noc([C@@H](C#N)Cc2ccc(C#N)cc2)n1 573165686 MVTUJAUDEXHMSC-MRXNPFEDSA-N 437.297 5.009 30 20 IKED N#Cc1ccc(CNCc2cc(Br)ccc2OC(F)F)c(C(F)(F)F)c1 577786295 VIQVOTCNMRLFSL-UHFFFAOYSA-N 435.190 5.231 30 20 IKED CC[C@@H](c1cccc(OC)c1)N(C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 582570056 VUKRWGDBNNEOBA-DEOSSOPVSA-N 448.567 5.038 30 20 IKED CCc1c(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cnn1C(CC)CC 583684716 HMPPMNDLQBASHE-UHFFFAOYSA-N 442.007 5.577 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)cc1 603739878 OMEXNQWQGKBMSU-UHFFFAOYSA-N 431.489 5.155 30 20 IKED Cc1nc(CSc2ccccc2C(=O)Nc2nc(C)c(SCC#N)s2)cs1 603775915 YXIYKKYLIPMAFD-UHFFFAOYSA-N 432.621 5.377 30 20 IKED CC(C)(C#N)c1ccc(NS(=O)(=O)c2ccc(Br)cc2C(F)(F)F)cc1 603975252 NQSIMXCSMYYUSH-UHFFFAOYSA-N 447.276 5.070 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3cc(-c4ccc(F)cc4)nc4onc(C)c34)[nH]c12 605363080 GWMVQMRMZOEHCC-QGZVFWFLSA-N 425.423 5.012 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(C)c2ccc(C#N)cc2F)cc1 608798122 GPJFWEHUCSMXMG-UHFFFAOYSA-N 427.479 5.450 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@@H](C)c1ccccc1Br 609385232 FYQMGSYFIHJUDY-HOTGVXAUSA-N 446.414 5.332 30 20 IKED C[C@@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 609387130 ONNIPKSBMBGVQR-QWHCGFSZSA-N 441.906 6.050 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H](c4nc5ccccc5o4)C3)cc2)c1 609434398 DPASEAXZTGVBBH-IBGZPJMESA-N 438.487 5.903 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21 609435519 UEAIFMSGVRQBMZ-AVRDEDQJSA-N 443.572 6.393 30 20 IKED C[C@H](NC1(CNC(=O)c2occc2COc2cccc(C#N)c2)CCCC1)c1ccccc1 609481236 SESLRTMJUNHVAX-FQEVSTJZSA-N 443.547 5.124 30 20 IKED CCOc1ccc([C@H](C)NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1OC 609642086 QIPLBXMUAZEGMD-SFHVURJKSA-N 430.504 5.036 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC(C(F)(F)F)(C(F)(F)F)C3)cc2)cc1 609757339 WKQRWCUDBPYDLZ-UHFFFAOYSA-N 442.359 5.502 30 20 IKED C[C@@H]1CN(Cc2ccccc2NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@@H](C)O1 609991646 XKYFWFQILRNUQW-WOJBJXKFSA-N 440.547 5.163 30 20 IKED CC[C@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(Br)cc1Cl 615085800 GWYGTSTVZZMCEG-IBGZPJMESA-N 433.781 5.079 30 20 IKED COc1cc(C)c(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F 622520099 CYAOSGPAVAJFAH-UHFFFAOYSA-N 425.300 5.198 30 20 IKED C=CCn1c(-c2cccc3cccnc23)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 669814193 WFTAAHPPBDVXAA-WIOPSUGQSA-N 439.563 5.283 30 20 IKED Cc1nnc(-c2ccccc2C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)o1 679537716 JIODVHBQQOJSNN-AWEZNQCLSA-N 428.395 5.164 30 20 IKED COc1ccc(C(=O)/C=C\c2ccc(-c3ccc(C(F)(F)F)cc3)o2)cc1NC(C)=O 726427758 VVAAWIOESJPWTI-NTMALXAHSA-N 429.394 5.829 30 20 IKED COc1ccc(/C=C2\CCc3nc(-c4ccc(F)cc4)sc3C2=O)cc1OCCCC#N 727685631 VCEKEGOIBVXUOH-NBVRZTHBSA-N 448.519 5.853 30 20 IKED N#C[C@H](C(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1)c1nc2ccccc2s1 730070776 ALCWANQJWYPRBG-OPAMFIHVSA-N 436.508 6.284 30 20 IKED N#C[C@H](C(=O)Cc1cccc(OCc2ccccc2Cl)c1)c1ccc2ccccc2n1 730071483 NJEODRYCWNTYGZ-QFIPXVFZSA-N 426.903 5.886 30 20 IKED COc1ccc(/C=C\C(=O)c2sc(-c3ccccc3Br)nc2C)cc1O 730148900 PDRKUYWWSYPBIT-CLFYSBASSA-N 430.323 5.491 30 20 IKED C[C@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(F)cc1Cl 730410887 CSCNVMFDPXNIGG-ZDUSSCGKSA-N 443.862 5.120 30 20 IKED CN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 732058146 WVIJTUKZISEHJS-UHFFFAOYSA-N 449.551 5.016 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC[C@H]1c1ccccc1C(F)(F)F 732435867 SGMPSBRXYKUDEC-QHCPKHFHSA-N 435.449 5.869 30 20 IKED COC(=O)N(C)Cc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 735256236 KIVIZFPSGQRVIE-UHFFFAOYSA-N 449.894 5.454 30 20 IKED CCOc1cc(CCCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1OC 736955920 QQUIKWOHHOYXMD-DEOSSOPVSA-N 443.547 5.504 30 20 IKED COC(=O)[C@@H](Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)c1ccc(C#N)cc1 739999993 OUTMOHXWIZVAJR-FQEVSTJZSA-N 427.382 5.091 30 20 IKED C#CCN(C(=O)[C@@H]1CCSc2ccccc21)[C@@H]1CCOc2ccc(Br)cc21 741927182 CXBKGZYPIXAYBZ-IEBWSBKVSA-N 442.378 5.014 30 20 IKED Cc1ccc(C(=O)N[C@H](C#N)c2ccccc2Br)cc1NC(=O)OC(C)(C)C 742672111 AXZTUHYWLVIGDR-GOSISDBHSA-N 444.329 5.099 30 20 IKED C#CCCN1CCC(NC(=O)c2cccc(CSc3cc(Cl)cc(Cl)c3)c2)CC1 743493060 GIGREQYZNZDUPJ-UHFFFAOYSA-N 447.431 5.503 30 20 IKED C[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1nc(-c2cccc(F)c2)no1 743623662 ANRYHPDLOMTPIL-CQSZACIVSA-N 447.495 5.036 30 20 IKED COc1cc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)ccc1SC 746485931 QUEMTOVEUMJTSI-UHFFFAOYSA-N 425.366 5.153 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)CCCOc1ccc(Cl)cc1Cl 749361329 OOYJWNBEWDFRMF-UHFFFAOYSA-N 428.319 5.288 30 20 IKED COC(=O)c1ccc(/C=C(\C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)o1 749450838 CGCNJKGXEFMROF-AQTBWJFISA-N 437.879 5.241 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)cc1 750999223 YCWBTXFJPVZQFC-CTNGQTDRSA-N 433.533 5.532 30 20 IKED N#Cc1cccc(C(=O)COC(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)c1 753478587 SBIBZAIDOAGJBG-UHFFFAOYSA-N 427.243 5.092 30 20 IKED C/C(=C/c1ccccc1Cl)C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 756293362 WXVLYZZYUGGNSG-DFSFMLJYSA-N 428.941 5.177 30 20 IKED O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)c1ncc(Br)s1 756846241 HJAOTISUCGXQTJ-HJWRWDBZSA-N 437.322 5.049 30 20 IKED C=C[C@@H](CC(=O)OCc1csc(N(C(C)=O)c2ccccc2CC)n1)c1ccccc1 758910517 ZIKHEDPSDXPCKK-FQEVSTJZSA-N 434.561 5.793 30 20 IKED COc1ccc(C(=O)CC(C)(C)CC(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1 760200903 FCRREPLFYLTZIZ-IBGZPJMESA-N 433.533 5.079 30 20 IKED N#Cc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)s1 762442312 IXJJKWUMRZFLQB-XBXARRHUSA-N 427.312 6.075 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2F)NC1=O)Nc1cccc(Cl)c1Cl 766284640 WDZLQOFSRMTUKN-ZDUSSCGKSA-N 446.718 5.034 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H]2CCCOc3cc(Br)ccc32)ccc1OC 772977555 AXDZRHUMGOWMON-HKUYNNGSSA-N 445.357 5.142 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CCOc3cc(Cl)ccc3C2=O)cs1 774558970 NMLFZTVHIZDARJ-UVTDQMKNSA-N 442.899 5.669 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)NCc2ccc(-c3ccccc3)c(C)c2)ccc1OC 779572212 SLRIMCNLCHXBAK-QHCPKHFHSA-N 443.547 5.351 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(CCCn3ccnc3)CC2)cc1 783042316 QMKIJTLFHONRBS-VWLOTQADSA-N 427.552 5.263 30 20 IKED Cc1cc(OC(C)C)ccc1NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 783466856 KJYQAUOTSWOKET-QHCPKHFHSA-N 427.504 5.015 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)cc1 783723458 UBSZDSAZASBVFD-FQEVSTJZSA-N 427.451 6.050 30 20 IKED N#C[C@@H](C(=O)NCc1cccc(Cl)c1)C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 786531992 XRCUTYCZEAHINZ-LJQANCHMSA-N 440.833 5.049 30 20 IKED COc1ccccc1-c1ccc(C(=O)/C=C\c2cn(CCC#N)nc2-c2ccncc2)cc1 788356692 VDHGZASOMNYFQT-QXMHVHEDSA-N 434.499 5.430 30 20 IKED N#CCCn1cc(CNc2ccc(OCc3ccccn3)c(Cl)c2)c(-c2ccncc2)n1 788523127 HHTJNIYHVOTFIN-UHFFFAOYSA-N 444.926 5.098 30 20 IKED CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)c(Cl)c1 799216012 ZJJYNSBSFXLLLE-GOSISDBHSA-N 433.936 5.076 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)CCN2c3ccccc3Sc3ccccc32)CC1 800114940 LSDPBPWTOGKVIE-UHFFFAOYSA-N 440.572 5.158 30 20 IKED CC(C)C(=O)c1ccc([C@H](C)C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 802042906 YVWGRNWKUJFVKC-DJJJIMSYSA-N 431.319 5.283 30 20 IKED C=CC[C@H](NC(=O)C(=O)N[C@@H](C)c1ccccc1-c1ccc(Cl)cc1)c1ccncc1 805813554 KPOKPIKYAHLFAW-SBUREZEXSA-N 433.939 5.013 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(Cl)c2OCC(F)F)cc1C#N 806825508 ZCVYJKCVUKNASU-UHFFFAOYSA-N 438.818 5.068 30 20 IKED CC[C@@H]1[C@H](C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)CCN1C(=O)OC(C)(C)C 810536947 SUJPIBRUYMHAAG-IJEWVQPXSA-N 433.961 5.162 30 20 IKED Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 819706588 MYDOWUPVJIQVHD-MHZLTWQESA-N 449.510 5.175 30 20 IKED Cn1c(C#N)ccc1-c1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1 904671474 YTTINVYQFMYMLW-UHFFFAOYSA-N 445.788 5.473 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)cc1 915085997 QSABOLLGFLZQNQ-FQEVSTJZSA-N 447.523 5.661 30 20 IKED N#Cc1ccccc1/C=C/C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 915871260 ZINGXYYGBXDGAC-JLHYYAGUSA-N 435.405 5.481 30 20 IKED COc1cc(/C=C/c2nc(-c3ccc(Br)cc3)cs2)ccc1OCC#N 916140983 SZLNWSLIIXSSGO-YCRREMRBSA-N 427.323 5.654 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nc4ccccc4s3)o2)cc1 916912428 AFVWPMYSBDDDIE-GOSISDBHSA-N 443.528 5.860 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CC(=O)N(c4ccccc4Cl)C3)n2)cc1 916975300 XHUQEZHLQPHENM-IRXDYDNUSA-N 435.936 5.001 30 20 IKED Cc1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c(Br)c1 917044784 VIPZROUGIZNKMC-OLZOCXBDSA-N 448.267 5.146 30 20 IKED CCOc1c(Cl)cc(C=NOCc2cccc(C(=O)Nc3ccccc3)c2)cc1OC 917397049 MKUKAYDLLDQLHT-UHFFFAOYSA-N 438.911 5.550 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NNC(=S)Nc2cc(C)ccc2C)cs1 917531767 ILSDWHMCHGHMNE-UHFFFAOYSA-N 437.594 5.073 30 20 IKED Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccc(COc4ccccc4C#N)o3)o2)cc1 919513234 RCFPZFJQUJDZTB-MRXNPFEDSA-N 429.432 5.007 30 20 IKED CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)c1ccccc1OCC#N 919978436 WGDJLHLBMIAJHL-UHFFFAOYSA-N 434.517 5.363 30 20 IKED COc1ccc(OCc2nc(/C=C\C(=O)c3cc(Cl)sc3Cl)cs2)cc1 920064119 PJLQRBKEYBYQDQ-UQCOIBPSSA-N 426.346 5.995 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C4SCCCS4)cc3)n2)cc1 920140344 BWWDUAJMTULMKG-LJQANCHMSA-N 447.610 6.041 30 20 IKED COc1ccc(S[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920807194 ZORXCVNKDYSYRF-SWLSCSKDSA-N 430.501 5.454 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc4nscc34)CCC2)cc1 1786367452 PWZHVPURUMROGN-UHFFFAOYSA-N 449.576 5.027 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccccc3C3CC3)CCC2)cc1 1786369229 VFAPYQGCIZUZMW-UHFFFAOYSA-N 432.564 5.295 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CS[C@H]3CCCCO3)CCC2)cc1 1789453582 BGHXKMTVCCRGCZ-GMAHTHKFSA-N 442.625 5.149 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc4cc[nH]c4cc3F)cc2)CCC1 1790069254 ZLVRURXXWAGZMS-UHFFFAOYSA-N 449.526 5.038 30 20 IKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)ccc4F)CCC3)cc2)c1 1790765045 OCSGBFQDPZWYBV-UHFFFAOYSA-N 449.432 5.037 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)Cn3ccc4c(F)cccc43)CCC2)cc1 1791244386 QVPFVUZJFPYDJR-GOSISDBHSA-N 433.527 5.127 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)cc2)CCC1 1792240785 UOCDSTRYJLXIGR-JCNLHEQBSA-N 435.490 5.039 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2c[nH]c3ccccc23)n[nH]1 1820729669 FTPIPXSWFRIKTG-QFIPXVFZSA-N 447.583 5.118 30 20 IKED CC[C@H]1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C)cc(C#N)c3)[nH]n2)CC1 1822224340 MJIWLRBCSCENHM-KKLQWCBXSA-N 447.583 5.112 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3cccnc23)CC1 1824142236 JDJBXRHTCKYTDG-RUZDIDTESA-N 445.607 5.237 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3cc(C)[nH]c23)CC1 1824142604 ZJABERYFJORRRW-VWLOTQADSA-N 447.623 5.478 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cnc2Cl)CC1 1826191591 FMBBLZSRAKMSNE-IRLDBZIGSA-N 444.019 5.045 30 20 IKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1830578924 MVMFFRGBULRQIF-LJQANCHMSA-N 442.909 5.168 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccoc3cn2)CC1 1830820118 XDIFKWAIOCTKNB-QFIPXVFZSA-N 437.584 5.054 30 20 IKED C=CCn1c(S[C@H](C)C(=O)NC(C)(C)C)nc2scc(-c3ccc(C)cc3)c2c1=O 11019432 CLIARCIQBRPVNC-OAHLLOKOSA-N 441.622 5.015 30 20 IKED C=CCn1c(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)nnc1-c1ccc(Cl)cc1Cl 11149423 YCCOINALSPPFQK-ZIAGYGMSSA-N 439.412 5.035 30 20 IKED O=C(/C(=C(/S)Nc1ccccc1F)[n+]1ccc2c(c1)CCCC2)c1ccc(F)cc1F 11170670 UJWXFCWBTZUCNR-UHFFFAOYSA-O 441.498 5.321 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)nnc1C1CC1 21143694 ZHMPNIGXZRZLIQ-FQEVSTJZSA-N 449.536 5.030 30 20 IKED Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3sccc3C#N)c3ccccc3n2)c(C)c1 21154879 JZOOROSVTKBFCF-UHFFFAOYSA-N 441.512 5.247 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(OCC)cc2)=C(/S)Nc2cccc(CC)c2)cc1 22732354 YEIZKIDFDDWMCO-UHFFFAOYSA-O 447.624 5.939 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 32785672 GOWVZIGEKLRGOG-ROUUACIJSA-N 446.576 5.159 30 20 IKED C=CCn1c(SCCCC(=O)c2ccc(Br)cc2)nc2sccc2c1=O 36799768 SUVDULLIODKIEM-UHFFFAOYSA-N 449.395 5.162 30 20 IKED Cc1ccc(-c2csc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)n2)cc1C 428331010 OCLBFOVQHJBNOM-UHFFFAOYSA-N 427.533 5.456 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1 432791290 FUKVGOFVRWDLFG-XMMPIXPASA-N 442.494 5.833 30 20 IKED CN(Cc1cc(Cl)ccc1F)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 434156460 BWIXNDOUCLMZPU-UHFFFAOYSA-N 436.874 5.267 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1cccc(OC(F)(F)F)c1 439040800 PAWZEDTWQIWZSP-UHFFFAOYSA-N 427.382 5.134 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(Sc3nc(C)cs3)cc2)c1 439364482 ZHLLPRCLPHOWHF-UHFFFAOYSA-N 439.562 5.135 30 20 IKED C[C@H](SCc1ccc(C#N)cc1OC(F)F)C(=O)Nc1ccccc1OC(F)F 439540687 JUJNMSLCYNAWAF-NSHDSACASA-N 428.407 5.021 30 20 IKED C[C@H]1C[C@@H]1[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1 442364013 MGINUQVKUCUADC-WWKQJJJLSA-N 441.984 5.186 30 20 IKED N#C[C@H](C(=O)c1ccc(F)c(Br)c1)c1nc(-c2ccc(Cl)cc2)cs1 442676225 AXBJGPFROMGLKJ-CYBMUJFWSA-N 435.705 5.855 30 20 IKED N#C[C@@H](C(=O)c1ccc(OCc2ccccn2)cc1)c1nc(-c2c(F)cccc2F)cs1 442807020 CRCDSLURHICISK-SFHVURJKSA-N 447.466 5.552 30 20 IKED O=S(=O)(Cc1cccc(NCC#Cc2ccc(C(F)(F)F)cc2)c1)c1ccccc1 443541549 NZRVOGYXONABBN-UHFFFAOYSA-N 429.463 5.143 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(OC3CCC3)cc2Cl)c1C#N 445558859 BAGPCYVCMKMRAI-UHFFFAOYSA-N 438.940 5.303 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2sc(-c3cccs3)nc2C)c1C#N 445561507 OBKGJVAIAPKVCB-UHFFFAOYSA-N 437.575 5.212 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)c1ccccc1-c1ccc(Cl)cc1 447147334 IPBOXYAXGYCZHK-CQSZACIVSA-N 438.314 5.348 30 20 IKED Cc1ccccc1[C@H]1CN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@H](C)CO1 460403807 JQOLLCKTUFJUPJ-FQRUVTKNSA-N 426.516 5.048 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 460792208 RCKVQQRPUWLCOW-XMMPIXPASA-N 427.552 5.276 30 20 IKED COc1ccc([C@@H]2Nc3ccc(Cl)cc3C(=O)N2c2ccncc2)cc1OCCCC#N 463011103 NAMYXWCUQQNODU-HSZRJFAPSA-N 448.910 5.197 30 20 IKED COc1cc(C)c(Br)cc1NCc1cn(CCC#N)nc1-c1ccccc1 463054451 NZTVAWBQHDZFQE-UHFFFAOYSA-N 425.330 5.155 30 20 IKED N#C[C@H](C(=O)c1sc(-c2ccco2)nc1-c1ccccc1)c1cc(C(F)(F)F)ccn1 464418819 IJXQJDUIBNSFGD-HNNXBMFYSA-N 439.418 5.974 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1 465418402 UELBHVKNOAZCNB-OAQYLSRUSA-N 436.496 5.668 30 20 IKED Cc1nnc(-c2cccc(C#N)c2)n1[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 466296703 HYVMWGPHTUHZSB-NSHDSACASA-N 425.279 5.091 30 20 IKED COc1ccc(-c2cc(NC(=O)NCCc3cccc(C#N)c3)ccc2OC(F)F)cc1 466814155 GNMBCXWKDIZLJB-UHFFFAOYSA-N 437.446 5.199 30 20 IKED Cc1ccc(C)c(-n2ncc([C@@H](C)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)c2C)c1 469215545 MGVRVWLNYGZUAR-HXUWFJFHSA-N 441.579 5.554 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)ccc21 469971876 IYWOHGBKLSCHMA-WOJBJXKFSA-N 442.346 5.319 30 20 IKED Cc1c(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cccc1C(F)(F)F 471860366 DSILKCFJDWUZNX-UHFFFAOYSA-N 431.311 5.610 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F 473760880 CSTVAWWEKKEINI-UHFFFAOYSA-N 441.457 5.453 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)Cc1cc(OC)c(OC)cc1SC 475552391 LZBFZVLCLHKINR-UHFFFAOYSA-N 428.598 5.942 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CCc1nc2cc(Br)ccc2s1 476089828 HXRWQALCBAIJSL-UHFFFAOYSA-N 443.410 6.482 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(Br)cc1Br 476123566 PRLQAQJETHSMJV-UHFFFAOYSA-N 437.175 6.316 30 20 IKED N#CCCn1cc(CN[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c(-c2ccccc2)n1 478210247 RKSHVGGVRUQNNT-LJQANCHMSA-N 440.378 5.139 30 20 IKED CCc1ccc([C@@H]2CCCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)o1 480279538 AUICQMOKNGXAPN-QHCPKHFHSA-N 442.519 5.725 30 20 IKED C=CCn1c(Sc2nc(C(F)F)nc3ccccc23)nnc1-c1cccc(OC)c1 481844609 WMDCXTUVULVNIT-UHFFFAOYSA-N 425.464 5.172 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cccc(Cl)c2OC(C)C)nnc1-c1ccco1 482212421 OECQLWMCSQTJQR-UHFFFAOYSA-N 446.960 5.286 30 20 IKED C=C(C)Cn1c(SCC(=O)N2CC[C@H](C)C[C@@H]2c2ccc(C)o2)nnc1-c1ccco1 482495615 JVTBBSXRMVTVSF-FUHWJXTLSA-N 440.569 5.108 30 20 IKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3nc(C)c(SCC#N)s3)o2)cc1 482758215 GGISMAOVGFLNQB-UHFFFAOYSA-N 446.557 5.950 30 20 IKED COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1SC 484303791 FXALYXNAWQDGHS-UHFFFAOYSA-N 449.488 5.028 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(Cl)cc3C)o2)cc1 489787123 DISPJVYQHRVSNB-AWEZNQCLSA-N 429.929 5.383 30 20 IKED Cc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 491139343 IQDSDSWRVMNPGF-DEOSSOPVSA-N 432.568 5.014 30 20 IKED CN(CCCn1ccnc1)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 494178064 BWMGTOOLARSABU-UHFFFAOYSA-N 443.429 5.120 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2oc3ccccc3c2C)cc1C 500618316 ORUFTAKTPZBMHN-IBGZPJMESA-N 426.520 5.626 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)NCCCc3ccc(Cl)cc3)s2)cc1 506665572 WOKFPVQJACXEKW-UHFFFAOYSA-N 443.985 5.110 30 20 IKED CC(C)(C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1)c1cc(F)cc(C#N)c1 507717057 ISLSMHYJOJKAOR-UHFFFAOYSA-N 426.385 5.031 30 20 IKED Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2nc3cc(Cl)ccc3s2)CC1 508172628 CMFDZBCAMXHNIF-UHFFFAOYSA-N 434.956 5.001 30 20 IKED C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(OC2CCCCC2)CC1 508883892 DFQJYYWFDWJSQU-SFHVURJKSA-N 428.552 5.061 30 20 IKED COc1cccc(Oc2ccc(NC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc2)c1 509238005 XBHCDYBMNKRKCQ-UHFFFAOYSA-N 443.503 5.434 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2c2cccc3ccccc23)cc1 511013118 NWQNAHYSTWYYRX-SANMLTNESA-N 439.559 6.023 30 20 IKED CC[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(Cl)cc1 511399984 SXWIHQIFGMZHDU-QHCPKHFHSA-N 433.939 6.258 30 20 IKED N#CCCCOc1cccc(NC(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c1 512919283 YJHJIWCHHKXEOD-KRWDZBQOSA-N 443.372 5.396 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)cc1 513082064 IDZPDAXKRWNRSZ-SFHVURJKSA-N 430.483 5.138 30 20 IKED CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1 515439359 VAYRIYJBUDBTLS-NRFANRHFSA-N 438.453 5.181 30 20 IKED Cc1nc(SCC(=O)Nc2cccc(OCCCC#N)c2)c2c(C)c(C)sc2n1 515618741 KRCJBJLPNUNPHM-UHFFFAOYSA-N 426.567 5.030 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1ccc(Cl)c(C(F)(F)F)c1 517447980 ZXYTYDLVELWOAF-LBPRGKRZSA-N 444.931 6.341 30 20 IKED C=CCOc1ccccc1CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 518452796 QMKNPKOLQQQAAS-UHFFFAOYSA-N 440.503 5.302 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3occc3COc3ccccc3)n2)cc1 518515444 IGPKVHYJOSMUSC-FQEVSTJZSA-N 430.485 5.481 30 20 IKED CCN(C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@H](C)c1ccc(F)cc1 518748555 ZFPSBANCJYBSSE-QGZVFWFLSA-N 431.467 5.038 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCCC(=O)Nc1ccc(Cl)cc1 518755828 ONSSOSDGIIFQBJ-HNNXBMFYSA-N 430.961 5.275 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)cc1Cl 519105231 FPCVWYDGRBAMBL-YADHBBJMSA-N 447.897 5.126 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)N[C@H](c3ccccc3)c3ccc(F)cc3)CC2)c1 519177902 QNVBAVZIGATDED-RUZDIDTESA-N 429.495 5.040 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 519432817 AZKDMTCODZVOOR-HXOBKFHXSA-N 436.964 6.351 30 20 IKED CC(C)Sc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 520635374 RGMNOOHIXMAZGL-UHFFFAOYSA-N 436.986 5.170 30 20 IKED CCCOc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 520798564 YOSUAMSKKXPIEJ-UHFFFAOYSA-N 444.500 5.301 30 20 IKED Cc1nc(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)ccc1-c1ccccc1 521321032 XRQUAZQMZDELDY-UHFFFAOYSA-N 448.482 5.298 30 20 IKED COc1ccc2ccc(-c3nn(-c4ccccc4)cc3C(=O)[C@@H](C#N)c3ccccn3)cc2c1 521326806 MGTKXSMRHBHDSJ-DEOSSOPVSA-N 444.494 5.586 30 20 IKED Cc1ccc(Cl)cc1N1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 521809320 AKYPMSFOJBWPNL-KRWDZBQOSA-N 428.989 5.397 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)NCCCOc2ccc(Cl)cc2Cl)c1 522595168 VYRPPCYOXXGCJB-UHFFFAOYSA-N 445.302 5.236 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C(=O)Nc4ccccc4)cc3)n2)cc1 535407446 UGIDGFFMHHYBCI-JOCHJYFZSA-N 448.507 5.424 30 20 IKED Cc1cccc(S(=O)(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1Cl 538299012 OTCXWHOCHORHKU-UHFFFAOYSA-N 426.925 5.094 30 20 IKED CCC(CC)C(=O)N1CCC(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 542981307 KUCAZPMYVKWHBS-IBGZPJMESA-N 446.595 5.013 30 20 IKED CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2ccc(Cl)c(C#N)c2)c1 543441745 YLFCFLWKKMZKFZ-KRWDZBQOSA-N 431.923 5.574 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NCc1nnc(-c2cccc(C#N)c2)o1 544487087 RBPZMTRURLXBFG-CYBMUJFWSA-N 435.940 5.544 30 20 IKED COc1cc(CN[C@@H](C)c2nc(C3CCCCC3)no2)ccc1OCc1cccc(C#N)c1 544507223 IGBLWZYLBRCQFC-SFHVURJKSA-N 446.551 5.427 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccccc1CN1CCNC1=O)c1ccc(C(F)(F)F)cc1 544590282 CUOOHISUEWZWIS-IBGZPJMESA-N 446.473 5.060 30 20 IKED C=C(C)[C@@H](Cc1nc(-c2ccccc2-c2ccc(CN3CCCC3=O)cc2)no1)OCC 545613071 LPEFPETXCFYIPI-HSZRJFAPSA-N 431.536 5.050 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(c2ncc(C)s2)CC1 549302403 WFSKOPHECYWNTK-QGZVFWFLSA-N 441.576 5.282 30 20 IKED CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 555885173 MUKNKYJEXGRHGS-LBPRGKRZSA-N 435.330 5.617 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1 556842421 RPPTZHNTIZMKKH-UHFFFAOYSA-N 425.410 5.058 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 558340807 PBXRZTMWVDOCRC-CJFMBICVSA-N 434.609 5.211 30 20 IKED CC(C)COc1cn(-c2ccccc2)nc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 594362955 LKIFZTYXLZFGCR-QGZVFWFLSA-N 449.461 5.142 30 20 IKED Cc1ccc(C(=O)Nc2sccc2C#N)cc1NC(=O)c1ccc(Br)cc1 603637176 DOPHBBZDCRTFBQ-UHFFFAOYSA-N 440.322 5.195 30 20 IKED CCOc1cc2c(cc1CNCc1cccc(OCc3cccc(C#N)c3)c1)O[C@H](C)C2 603681100 IALKRGYCONOATM-LJQANCHMSA-N 428.532 5.149 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Cl 603759128 USWJTFZVDAQVLT-IBGZPJMESA-N 431.835 5.902 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2Cl)cc1 604027008 UGTCQXKXPXDHAR-UHFFFAOYSA-N 428.231 5.818 30 20 IKED C[C@H](CCc1ccccc1)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604129320 AIVZICXNRCAFLB-JPYJTQIMSA-N 445.950 5.071 30 20 IKED C=CCN(CC1CCCCC1)C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1 606588089 BWMHCEDIARAVEQ-UHFFFAOYSA-N 442.581 5.483 30 20 IKED CC[C@@H](c1ccccc1)c1nnc(S[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)o1 609019218 MJQXRJFANRNUEG-UGKGYDQZSA-N 448.592 5.656 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)COc3ccc(F)cc3Cl)cc2F)c1 609104289 UGPFHXIBLQIFNB-UHFFFAOYSA-N 428.822 5.086 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(CCc3ccccc3)Cc3ccncc3)cc2)cc1 609318017 GDPWOUIIODITRX-UHFFFAOYSA-N 448.526 6.022 30 20 IKED CSc1ncc(C(=O)Nc2ccccc2S[C@H](C)CC#N)n1-c1ccc(F)cc1 609427804 NALIKNATAIVYKM-CQSZACIVSA-N 426.542 5.380 30 20 IKED CSc1ccc(O[C@@H](C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 610106582 AKWSOSNZALRSRA-SFHVURJKSA-N 432.545 5.460 30 20 IKED N#Cc1ccc(-c2nnc(CSc3nnc(-c4cccs4)n3-c3ccccc3)o2)cc1 610218935 CLGLXWQOFRYLSF-UHFFFAOYSA-N 442.529 5.210 30 20 IKED Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)N[C@@H](C)c2cccc(C#N)c2)n1 610318867 NPQZLOQJQAGCFP-HNNXBMFYSA-N 427.430 5.262 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C[C@@H](C(F)(F)F)O1 610414986 IJIDLISXKVHHNY-XIKOKIGWSA-N 439.821 5.187 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C3)cc2)cc1 610597803 DTRZLXRVBMUSIX-QZTJIDSGSA-N 442.359 5.358 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC3(CC2)OCc2ccccc23)cc1 610746840 XGXKCEWHQUAMHL-UHFFFAOYSA-N 440.568 5.512 30 20 IKED C[C@@H](NC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)c1cccc(C#N)c1 610761482 WLDGNIFHPCYDPV-OAHLLOKOSA-N 432.351 5.317 30 20 IKED N#Cc1cccc(COc2cccc(CN3C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)c2)c1 611276614 MHCYWGSXNNEFCO-OALUTQOASA-N 428.376 5.310 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](Cc3ccncc3)C2)cc1Cl 611815225 CNWGTNHJVFYEJJ-AUSIDOKSSA-N 430.939 5.487 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 615972950 BJUQNODMGQPODC-UHFFFAOYSA-N 442.943 5.930 30 20 IKED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H](Cc1ccccn1)c1ccc(Br)cc1 616094702 VXCFIUGPTWTDQY-BJKOFHAPSA-N 432.365 5.667 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ncc(Br)s1 617997331 TVEUEWRIACVJNH-UHFFFAOYSA-N 430.302 5.072 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCO[C@@H](c2ccco2)C1 670215855 HYCKXRCAFRLZFS-YADARESESA-N 444.535 5.318 30 20 IKED O=C(c1ccc(Oc2ccc(F)cc2F)cc1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674444253 XZTMZDZOLDWIMW-OKILXGFUSA-N 439.302 5.570 30 20 IKED O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674550827 VCHVWBYKSGPXJO-DTORHVGOSA-N 428.682 5.563 30 20 IKED COc1ccc(/C=C2\SC(=S)N([C@H](C)c3cccs3)C2=O)cc1OCCCC#N 726630085 SOCANYXRTISABV-RMENWYJGSA-N 444.603 5.402 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)sc1-c1cccc(Cl)c1 726733007 OKDVIILTQCBMPA-HNNXBMFYSA-N 429.328 5.992 30 20 IKED CC1(C)Cc2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)sc2-c2ccccc21 726858469 LWVVCRYAKSDLJZ-MRXNPFEDSA-N 434.948 5.863 30 20 IKED CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(COc2ccc(C#N)cc2)o1 728110991 YPIOMLQCIZPRIQ-MSOLQXFVSA-N 446.503 5.428 30 20 IKED N#CCOc1cccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)c(Cl)c2)c1 729321447 ZYTKYCMHNDLONA-UHFFFAOYSA-N 425.271 5.379 30 20 IKED C[C@H](OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nnc(-c2ccccc2)o1 730375543 JRHPXZYZPNXVMY-HNNXBMFYSA-N 429.407 5.458 30 20 IKED C=CCN(C(=O)CCCNC(=O)OC)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 730739114 GEHWSAVIRQCQAS-UHFFFAOYSA-N 435.549 5.132 30 20 IKED CN(C)C(=O)Sc1cccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1 731418314 WZZOCBRIDVFEPZ-UHFFFAOYSA-N 435.480 5.516 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Oc3cccc(C(=O)Nc4ccccc4)c3)cc2)nc1 731980842 HBTSGZJDILKXTM-UHFFFAOYSA-N 435.439 5.217 30 20 IKED CC(C)(C)OC(=O)N1CCCC[C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 733621668 LUMHCEKMQFSQAN-GOTSBHOMSA-N 448.567 5.253 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)c1 733773131 QQUGADIEKJQZNN-QHCPKHFHSA-N 448.950 5.459 30 20 IKED C=CC[C@H](NC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C)c1ccncc1 734234803 UFBRFUCGLAXSNE-SFHVURJKSA-N 443.931 5.544 30 20 IKED CC(=NN=c1cc(C(F)(F)F)[nH]c(-c2ccncc2)n1)c1ccc(Cl)cc1Cl 735976589 PDYUTRZCGASJLG-UHFFFAOYSA-N 426.229 5.122 30 20 IKED Cn1ccnc1SCc1cccc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1 739752097 USXRXJBAEVHXRN-UHFFFAOYSA-N 444.585 5.243 30 20 IKED C[C@@H]1CN(c2ccc(NC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)cc2)C[C@@H](C)O1 740443989 KBYQINGEUUTDOJ-QZTJIDSGSA-N 446.576 5.222 30 20 IKED COc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2ccc(Oc4cnccn4)cc2)CC3)cc1 743055691 IXMVETNKKPQCPF-JXAWBTAJSA-N 441.512 5.614 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2ccc(-c3ccccc3OC)cc2)c1 743610755 JCACCVWOCQBKFM-XXBNENTESA-N 443.547 5.604 30 20 IKED C=CCN(C(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1)c1nc(-c2ccccc2)cs1 744352620 DFWDCYDQMXYGJK-UHFFFAOYSA-N 449.576 6.298 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3ccc(-c4nc5ccccc5s4)s3)o2)cc1 744469166 XYXCTVZCQXHNJG-UHFFFAOYSA-N 444.497 5.303 30 20 IKED C=CCc1cc(/C=C\C(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)cc(OC)c1O 747064467 WSXSKEASNDCDOB-GDNBJRDFSA-N 443.499 5.043 30 20 IKED N#C[C@@H](COC(=O)c1csc(-c2ccc(Br)s2)n1)Cc1ccccc1 750783898 JSZGQWSAICVSIM-ZDUSSCGKSA-N 433.352 5.173 30 20 IKED CN(Cc1cccc(NCc2cc(C#N)ccc2Br)c1)Cc1cscn1 754885577 QEKLHDZSLMDUNW-UHFFFAOYSA-N 427.371 5.021 30 20 IKED CC(C)(C)OC(=O)NCC(C)(C)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 757306572 RVQAULWPXCVSQT-LBPRGKRZSA-N 441.475 5.042 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cncc(-c2ccccc2)c1 757874368 JAMNBGNIJHPGIQ-HSZRJFAPSA-N 433.467 5.502 30 20 IKED CC(C)(C)OC(=O)N1CCc2cccc(/C=C/C(=O)c3cc(Br)ncc3F)c21 762425834 NLCCNBDYOLXLAS-BQYQJAHWSA-N 447.304 5.177 30 20 IKED C=CCn1c(-c2cccs2)nn(CNC2(c3ccc(Cl)cc3)CCOCC2)c1=S 764991795 UWUNKXPSEDODFN-UHFFFAOYSA-N 447.029 5.235 30 20 IKED CCOc1ccc(C2=CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)cc1 768869300 UHMJORSIJNEHGM-MHZLTWQESA-N 437.543 6.062 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(Br)n1 770285354 GGZATCHEDCKJQI-UHFFFAOYSA-N 430.249 5.121 30 20 IKED CC[C@H](Cc1ccccc1Br)N(C)C(=O)Nc1ccccc1O[C@@H](C)C#N 775723955 XLPADRCHFPRCBP-DOTOQJQBSA-N 430.346 5.225 30 20 IKED N#CCc1ccccc1CC(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 776740133 JMAILCCXVWDVNE-UHFFFAOYSA-N 449.388 5.384 30 20 IKED CC(C)(C)OC(=O)N1CCc2cc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)ccc21 777295236 BCQNTROYUKBVBJ-LJQANCHMSA-N 445.544 5.598 30 20 IKED C=CC[C@H](NC(=O)N[C@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21)c1ccncc1 779572999 GLDFDHIZVJCDNT-VXKWHMMOSA-N 436.556 5.423 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCc2ccccc2[C@@H](c2ccccc2)[C@H]1C 780666993 DOWDBNCJKBTLQI-XMERXJNXSA-N 425.532 5.588 30 20 IKED CCCN(C(=O)Nc1ccccc1O[C@@H](C)C#N)[C@H](C)c1ccccc1Br 780678390 MZFPLUOZPQLIAT-JKSUJKDBSA-N 430.346 5.745 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)NCc1ccc(C#N)cn1 782050894 QVWDRWCDSAADRA-UHFFFAOYSA-N 442.498 5.320 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)s1 797569840 YACOLSQUHWCNGQ-HNNXBMFYSA-N 449.523 6.002 30 20 IKED CC(=O)N(c1nc(COC(=O)c2ccc(C)c(C#N)c2)cs1)c1c(C)cc(C)cc1C 799550209 LZQPOSBMJGSNIC-UHFFFAOYSA-N 433.533 5.290 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N(Cc3ccco3)Cc3ccccc3O)cc2)ccn1 810283760 ZINZRBJCWYNBKE-UHFFFAOYSA-N 440.459 5.278 30 20 IKED N#Cc1cc(Oc2ccc(NC(=S)Nc3ccc(OC(F)F)c(Cl)c3)cc2)ccn1 811709288 RTRUBFUKHLGSJA-UHFFFAOYSA-N 446.866 5.809 30 20 IKED C#C[C@H](NC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C)c1ccc(F)cc1 812753286 DSUQHRZHTDGJNF-SFHVURJKSA-N 444.890 5.345 30 20 IKED N#C[C@@H](C(=O)Cc1cscc1Br)c1nc(-c2c(F)cccc2F)cs1 815925775 QLWMNLVSRRIZFL-JTQLQIEISA-N 439.306 5.331 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2OC(F)(F)F)cc1 915352842 KFXTUXUDIKILKD-FQEVSTJZSA-N 425.410 5.562 30 20 IKED Clc1ccc(CSc2nncn2N=Cc2ccccc2OCc2cccnc2)cc1 915956371 RUOXMMSQSFTIOZ-UHFFFAOYSA-N 435.940 5.080 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C/c2cc(Br)ccc2F)cc1 916948549 WLNGKRUJYMFUPC-NRNITRERSA-N 443.316 5.462 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(F)c2)n1)c1nc2cc(Cl)ccc2s1 917043609 KQOJZFCRQOZNOF-HNNXBMFYSA-N 427.913 5.631 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccccc2OC(F)F)cs1 917561795 OEORDHRMXPBAJY-DHZHZOJOSA-N 432.423 5.464 30 20 IKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1ccccc1OCC1CC1 920370588 KDGPGQYIZWFDDX-UHFFFAOYSA-N 449.363 5.124 30 20 IKED Cc1ccc(-c2cc(C(=O)Nc3ccc(C4(NC(=O)C5(C#N)CC5)CCC4)cc3)c[nH]2)cc1 1787031508 DFDOEORLDFNDHL-UHFFFAOYSA-N 438.531 5.042 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)CCC1 1790280084 KTUFBGGXYSUDAO-UHFFFAOYSA-N 448.510 5.372 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)Cn3ccc4c(F)cccc43)CCC2)cc1 1791726186 DVGDWOHTYGSQBS-UHFFFAOYSA-N 445.538 5.108 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C(C)(C)C)s2)c1 1797154945 HOGGDHKUNXDAHH-DVWBAYGPSA-N 449.620 5.238 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1798591982 XHVNCDYAEWFJPF-RHHYMUMYSA-N 447.623 5.338 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2ccccc2C)[C@@H]1c1cccnc1 1802501381 MUORAHCWIAXALP-AOYPEHQESA-N 447.623 5.021 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cnc2Cl)CC1 1824140783 KCFLOZMPBUXAMF-QFIPXVFZSA-N 444.019 5.045 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(C(C)(C)C)c2)CC1 1828822039 DJQIEJMHHIMFQY-PKTZIBPZSA-N 439.644 5.314 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc(C)cc(F)c2)CC1 1828829836 ISUNSEOSORFWRR-JWQCQUIFSA-N 440.603 5.065 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc3c(c2)CCCC3)cc1 10173541 PDEGPSUMXDPCJJ-UHFFFAOYSA-O 443.636 6.083 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1)=C(/S)Nc1ccc(C)c(F)c1 11082753 OLSMGNRXKZZKBL-UHFFFAOYSA-O 427.952 5.688 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2cccc(O)c2)cc1 22690156 UNWIATOWHNCEJF-UHFFFAOYSA-O 445.536 5.354 30 20 IKED COc1ccccc1-c1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cs1 60771332 RZNIMDHPNXMEOD-KRWDZBQOSA-N 442.525 5.304 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1cccc(OCc2ccccc2Br)c1 64455676 PZHUXAIAMIBQSL-UHFFFAOYSA-N 437.293 5.161 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 64521648 SDBQQPHEQVXHPL-LJQANCHMSA-N 447.629 5.413 30 20 IKED N#CCCn1cc(/C=C\C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c2ccccc21 96578747 VLEYJOXJXIIDKX-CBUFDYBVSA-N 440.572 5.584 30 20 IKED C=CCOc1ccc(C(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)cc1OC 107549158 WARWOKXKXOFNLO-UHFFFAOYSA-N 435.564 5.194 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)ccc2Br)cc1Cl 107648743 VPUWWHSDROBSEA-SFHVURJKSA-N 443.703 6.149 30 20 IKED C=CCn1c(S[C@H](C)c2nc(C3CC3)no2)nc2sc(-c3ccccc3)cc2c1=O 108171976 BIAAVCDDMBCJQV-CYBMUJFWSA-N 436.562 5.425 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)o1 108472055 VYGLMBUIGTUXHV-UHFFFAOYSA-N 431.879 5.063 30 20 IKED CCN(CC)c1nc2sc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cc2s1 195727835 XNHOFFTXVALGAP-LLVKDONJSA-N 445.520 5.439 30 20 IKED CC(C)CN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)C1CCN(C)CC1 261469031 WSCXTVDEZAELGD-UHFFFAOYSA-N 425.960 5.196 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2ccc(Br)cn2)n(C2CCCCC2)c1C 303005604 NRSMLSGLRNEVIZ-UHFFFAOYSA-N 447.402 5.370 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 303309819 QPYMOYFCXAQHRG-KRWDZBQOSA-N 430.533 5.835 30 20 IKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)c12 430617137 KFNUCHBSJXNHAR-INIZCTEOSA-N 434.496 5.581 30 20 IKED Cc1cc(Sc2ccccc2)ccc1NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 432754244 JYSUXJHNNNZHFZ-LJQANCHMSA-N 430.533 5.098 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 437399228 ZNUCLDPFSLPTCW-UHFFFAOYSA-N 428.448 5.455 30 20 IKED CO[C@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccc(Cl)cc1 437976728 PKGAXGGVBYQUOR-XMMPIXPASA-N 449.938 5.608 30 20 IKED COCCSCC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccc(C)o1)CC2(C)C 439695699 NTQLKZGNHKHIJQ-SOFGYWHQSA-N 442.606 5.617 30 20 IKED CCCc1c(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)cnn1-c1cccc(C#N)c1 440062365 MBOCQPSZPFVZPT-UHFFFAOYSA-N 438.453 5.386 30 20 IKED Cc1ccc(NC(=O)C(=O)Nc2ccccc2SCCC#N)cc1OCCC(C)C 441141712 BJODIEVMEWIUJR-UHFFFAOYSA-N 425.554 5.003 30 20 IKED C=CCC[C@H](NC(=O)Nc1cccn(CC(F)(F)F)c1=O)c1ccc(C(F)(F)F)cc1 442227884 VEXBSWPHXXVUOL-HNNXBMFYSA-N 447.379 5.258 30 20 IKED CC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C 443517819 FIIONVIIZPJYDL-MRXNPFEDSA-N 444.343 5.874 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)c1C#N 448452756 RCFDGJXALSDLDL-UHFFFAOYSA-N 444.025 5.603 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N(C)[C@H](C)c1cnn(C)c1 460564355 MFCDSPHLGBCKJY-MOPGFXCFSA-N 430.556 5.078 30 20 IKED Cc1ncsc1-c1nc2ccccc2n1CC(=O)Nc1ccccc1SCCC#N 463798746 UZZDRFFTHAQULX-UHFFFAOYSA-N 433.562 5.113 30 20 IKED Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 464418879 BSURKTSEXGUQGH-AWEZNQCLSA-N 439.315 5.573 30 20 IKED CSc1cc(C)ccc1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 465157178 NUPDFWGYMVTGRM-UHFFFAOYSA-N 431.561 5.684 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)NC(=O)Nc2ncccc2OCCCC#N)cc1 466603388 CNEAAHOHKPSNEY-GOSISDBHSA-N 430.508 5.322 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(Oc4ccccc4C(N)=O)cc3)c2)cc1 467320863 GTFQYGNFSDMEND-UHFFFAOYSA-N 449.466 5.494 30 20 IKED C[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1C(F)(F)F 470535975 BRTMSCXNAMKYIK-HNNXBMFYSA-N 444.457 5.171 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 475615644 CCZHXZCMVPXBMP-DNVCBOLYSA-N 449.498 5.705 30 20 IKED N#Cc1cc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cnc1C(F)(F)F 477209197 USHAEKASOFALSZ-UHFFFAOYSA-N 442.344 5.367 30 20 IKED N#CCCCOc1cccc(CNCc2ccc(Br)cc2C(F)(F)F)c1 479922529 SJYWWSPOTYILLL-UHFFFAOYSA-N 427.264 5.440 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cnn(-c2cccc(Cl)c2)c1CC 482231984 MFYGVKJMSVBZKT-UHFFFAOYSA-N 440.979 5.476 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1OC 484936506 REDHQUKICAETDV-QHCPKHFHSA-N 428.488 5.345 30 20 IKED CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)c1 487325266 VWNNQTFRVCSGPR-UHFFFAOYSA-N 443.894 5.265 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3COC3CCOCC3)n2)cc1 487914824 PBHOEXFLBVBHGG-QFIPXVFZSA-N 432.545 5.304 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 488805220 KXWUOYXNXFLPMK-UHFFFAOYSA-N 439.768 5.375 30 20 IKED C[C@H](NC(=O)Nc1cc(F)c(OC(F)F)cc1F)c1ccc(OCC(F)(F)F)cc1 491332260 HQGYCQXJLGNHOR-VIFPVBQESA-N 440.315 5.390 30 20 IKED COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OC)c(OCCCC#N)c2)cc1 493885624 LHMZSBGFBWVZKT-RUZDIDTESA-N 443.503 5.157 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N[C@@H](C#N)c3ccccc3Cl)cc12 499943479 BGTVHBGAAAEQCE-IBGZPJMESA-N 438.915 5.242 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCCC34CCOCC4)cc2Cl)cc1 502153955 UCPZXGOLKQFVAW-NRFANRHFSA-N 425.916 5.475 30 20 IKED COc1ccc(CC[C@H]2CCCCN2C(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC 503525382 DKDYSPGWXIYEEQ-LJQANCHMSA-N 427.932 5.248 30 20 IKED Fc1ccc(-c2noc(CN[C@@H](c3ccccc3C(F)(F)F)C(F)(F)F)n2)cc1F 505835606 YFZPHPZBFLEMND-HNNXBMFYSA-N 437.290 5.427 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 507786994 CAISNNJJDKVCHY-UHFFFAOYSA-N 427.430 5.207 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1 508294067 WFCQWFRQURCIQB-DEOSSOPVSA-N 447.466 5.104 30 20 IKED COc1ccc([C@@H](C)N(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 510025250 ASEACVBUPCZJAR-HXOBKFHXSA-N 433.939 6.229 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@H]3c3ccsc3)s2)cc1 510091296 XLNMKYKIBFTFFG-INIZCTEOSA-N 427.580 5.133 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cccc(OCc3ccc(Cl)cc3)c2)n1 510766697 TYRVHUQQUGJACD-GOSISDBHSA-N 440.908 5.042 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 511400748 SLABNAAFJIOZKH-VMEOHVCESA-N 446.473 5.065 30 20 IKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 511411357 FHQIKJPLBHJQTG-VMEOHVCESA-N 446.473 5.065 30 20 IKED CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)S(=O)(=O)Cc1ccc(C#N)cc1 511874775 RIUVZIFWUYNLAN-UHFFFAOYSA-N 448.466 5.189 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(F)cc2Br)c1 513493801 UNICAKYLICOHQK-UHFFFAOYSA-N 425.257 5.291 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(OC[C@H]3CCCO3)c2)cc1 515649799 ZRIOJLHUTDCWDO-RUZDIDTESA-N 442.515 5.142 30 20 IKED CN(C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@@H]1CCc2ccccc21 517151491 MXMAFBBCONPTTD-LADGPHEKSA-N 443.934 5.080 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1cccc(N2CCCC2=O)c1 517335681 DCNNENVMJFLQBY-QGZVFWFLSA-N 443.478 5.107 30 20 IKED Cc1ccc(-c2nc(CCNC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)co2)cc1 518571537 XHHRMJCWIPDKRL-UHFFFAOYSA-N 441.462 5.426 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CSCC(=O)c2ccccc2)cc1Cl 520514557 OBFOCTIIECWKMN-OAQYLSRUSA-N 434.948 5.550 30 20 IKED CC(C)NC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 521107069 YALVFUHFKMMSPF-UHFFFAOYSA-N 428.492 5.327 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)CCc3nc(-c4ccc(Cl)cc4)no3)c2)cc1 521492442 NYZSEFYVUJVSGE-UHFFFAOYSA-N 444.878 5.625 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)cc2)nc1 521962488 FXUAZEGMHYUSBR-IBGZPJMESA-N 440.528 5.375 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2cccc(Cn3ccnc3)c2)c1 523948935 DHVDALOBAMTSQH-UHFFFAOYSA-N 442.906 5.179 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@@H](c3ccc(Cl)cc3)C(F)(F)F)cc2)nc1 525483071 XOKJCRRZQYTNFN-IBGZPJMESA-N 431.801 5.432 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(C)n2)cc1 531968191 QKSVSOHGNPQWHS-JOCHJYFZSA-N 428.492 5.432 30 20 IKED COc1ccc(-c2noc(CN[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)n2)c(OC)c1 541086808 QBIBDOUIRQPOOR-KRWDZBQOSA-N 440.503 5.143 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@H]3c3nc4ccccc4s3)n2)c(Cl)c1 541097135 IRQXYUPRHOKLLC-SFHVURJKSA-N 448.939 5.376 30 20 IKED FC(F)(F)c1cc([C@@H](NCc2cn3cccnc3n2)C(F)(F)F)cc(C(F)(F)F)c1 541193983 BADBEBWGJAZGPK-CYBMUJFWSA-N 442.285 5.160 30 20 IKED O=C1CCC(C(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CC1 543084922 MXTGGXGTDCJOPD-ZDUSSCGKSA-N 435.286 5.203 30 20 IKED CC(C)(C)c1csc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n1 552685632 KYBJTXPBGWTPHB-UHFFFAOYSA-N 436.556 5.363 30 20 IKED Cc1ccc(S[C@@H](C(=O)N2CCC(C#N)(c3ccccn3)CC2)c2ccccc2)c(C)c1 558591365 SHNAZQPHQXUDRK-RUZDIDTESA-N 441.600 5.616 30 20 IKED CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 558877130 BJRBHHQNWXMBBI-UHFFFAOYSA-N 446.317 5.305 30 20 IKED N#Cc1cccc(C2(NCc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)CC2)c1 560072437 WEQSXMXYJWDQNP-UHFFFAOYSA-N 435.487 5.098 30 20 IKED CC(=O)Nc1ccc(Br)cc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 567399833 XDBYEYYDJXMNRB-UHFFFAOYSA-N 449.308 5.275 30 20 IKED N#Cc1ccc(N2CC[C@@H](c3nc(CCCOc4cccc5ccccc45)no3)C2)c(F)c1 574673978 BXOOYZMQQODBLJ-HXUWFJFHSA-N 442.494 5.239 30 20 IKED COc1ccc([C@H](Cc2ccccc2)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 577028243 AOPXCSDIXPYIBC-SANMLTNESA-N 439.559 5.674 30 20 IKED CCO[C@H](c1noc(-c2ccc(C(C)(C)C#N)cc2)n1)c1ccc(F)cc1C(F)(F)F 577100739 COYVKLQUIPXLAY-SFHVURJKSA-N 433.405 5.822 30 20 IKED O=C(Nc1ccccc1SCC(F)(F)F)c1ccc(OCC(F)(F)C(F)F)nc1 591007089 SGKSYQAIJJAVHM-UHFFFAOYSA-N 442.356 5.268 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCOc1ccc(F)cc1Cl 603756076 IWGWRJJMCMNWGD-UHFFFAOYSA-N 425.847 5.254 30 20 IKED C=CCn1c(S[C@H](C#N)Cc2ccccc2)nc2scc(-c3cccs3)c2c1=O 604071152 KNCPZGPCNICFCQ-INIZCTEOSA-N 435.599 5.599 30 20 IKED CC(C)(CNC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(F)c1 605328672 BEBPXVBZCQCLEK-STQMWFEESA-N 428.392 5.312 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ccc(Br)s2)n1)c1nc2ccccc2o1 606753908 OTHYAJDWXOEHQI-SECBINFHSA-N 430.308 5.265 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CCOc1ccccc1F 609078454 RKKDGXFMDZMVRV-UHFFFAOYSA-N 433.483 5.128 30 20 IKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cnn1Cc1ccccc1 609104647 KFUCOCMWCVKKHF-UHFFFAOYSA-N 440.478 5.082 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H](c2ccccc2)C2CCC2)cc1 609207003 CZUSSCVJLRPTMJ-SANMLTNESA-N 425.532 5.995 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@@H](Nc4ccccc4)C3)cc2Cl)c1 609207614 ITNSALWKDXNWOH-JOCHJYFZSA-N 446.938 5.509 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1 609263670 PEGFXQOWRIEEBX-UHFFFAOYSA-N 444.494 5.704 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)CCCSc2ccc(Br)cc2)c1 609372315 SBYQUNZMTHMBNB-UHFFFAOYSA-N 441.297 5.433 30 20 IKED Cc1cc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)ccc1C(=O)NC(C)C 609408941 AATWJYCVKKSLRF-UHFFFAOYSA-N 431.467 5.189 30 20 IKED Cc1cc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)ccc1C(=O)NC(C)C 609723992 RFBSWBSBTCKRJB-UHFFFAOYSA-N 447.922 5.703 30 20 IKED CCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@@H](C)c1cccc(O)c1 609845090 UBOSCIRNBSJHHA-KRWDZBQOSA-N 433.483 5.597 30 20 IKED C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](C#N)c1ccc(Br)cc1 609986303 IIYDZOULWUGMKK-SJKOYZFVSA-N 425.248 5.028 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1c1ccccc1Br 610674431 NFUHSDRVZHMGPT-KXBFYZLASA-N 444.398 6.070 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)[C@H]1COc2ccccc21 611109447 JXVVLTZKBVAWFQ-FDDCHVKYSA-N 427.504 5.132 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C 612790438 KCYAOHIHFKXUOU-GOSISDBHSA-N 425.381 5.024 30 20 IKED CC(C)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1 613344329 HIZYDYNQISRHIX-HNNXBMFYSA-N 432.332 5.789 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613404269 KQTBMTVUQOHUPZ-MRXNPFEDSA-N 440.450 5.608 30 20 IKED N#C[C@H](C(=O)c1cc(Br)ccc1OCc1ccccc1)c1nc2ccccc2o1 614439880 VEAZTKOSFVLSMW-GOSISDBHSA-N 447.288 5.659 30 20 IKED N#C[C@H](C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1ccc2ccccc2n1 618608686 HNVZYTNINHQALI-QFIPXVFZSA-N 439.540 5.748 30 20 IKED CCc1nc2ccc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2nc1CC 620304255 OCWHDDXXMWDSFK-AWEZNQCLSA-N 448.498 5.646 30 20 IKED CC(C)(C)Oc1c(F)cc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F 679886435 ZUXQPKTZNMPWMU-UWVGGRQHSA-N 448.354 5.737 30 20 IKED N#Cc1ccc(N2CCN(C(=O)Nc3cccc(Cl)c3SC(F)F)CC2)c(F)c1 726078039 BWLUHUINUGUUPB-UHFFFAOYSA-N 440.878 5.020 30 20 IKED CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNCc1ccc(Br)cc1 726739706 HKYALIIQJZBTJT-UHFFFAOYSA-N 431.765 5.535 30 20 IKED COc1ccccc1-c1nc(CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)cs1 728201682 NGQLAHZZBDXGEO-UHFFFAOYSA-N 445.519 6.021 30 20 IKED CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 728391302 UKXWHFPJGZJPIY-RUZDIDTESA-N 440.547 5.098 30 20 IKED CN(C[C@@H]1CCCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1)C(=O)OC(C)(C)C 728517386 BEIRYHYKSYNCMV-FQEVSTJZSA-N 449.551 5.070 30 20 IKED Cc1ccc(-n2c(C)cc(C(=O)Cn3cc(C#N)c(=O)c4cc(Cl)ccc43)c2C)cc1C 728704349 FYFWDJRJNDEYFV-UHFFFAOYSA-N 443.934 5.434 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F 728964132 IMKUJQGJZDXINQ-QFIPXVFZSA-N 444.840 5.059 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)c3cc4ccccc4n3CC#N)ccc21 729412257 KEJMGRUYFROHOU-UHFFFAOYSA-N 430.508 5.105 30 20 IKED Cc1ccc(-n2c(-c3ccccn3)nn(CN(CCC#N)CC(C)(C)C)c2=S)c(C)c1 729468222 QSABKLCCHATOMU-UHFFFAOYSA-N 434.613 5.301 30 20 IKED COc1ccc2ccccc2c1CN(C(=O)Cc1ccc(OCC#N)cc1)C1CCCC1 731986489 AYNOFRWVBLRANE-UHFFFAOYSA-N 428.532 5.265 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccccc3Br)n2)cc1 732901181 LTOFZDUMPTZCFQ-HOCLYGCPSA-N 441.350 5.525 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 733844277 VQXPXYPHOYDQCP-NRFANRHFSA-N 426.476 5.353 30 20 IKED CC(C)(C)c1ccc(N=C2NC(=O)[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)S2)cc1 736641200 MEIMZUXZPUCVKP-QGZVFWFLSA-N 449.498 5.251 30 20 IKED COC(=O)[C@H](OC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1ccc(C#N)cc1 740239949 ZBBFWWGERKDMPD-QGZVFWFLSA-N 447.299 5.060 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(Cc2cccs2)C(=O)N[C@H]1c1scnc1C 743741346 DPUJPDWZAOIJOE-GOSISDBHSA-N 443.981 5.433 30 20 IKED C[C@H](c1ccc(-c2ccccc2)cc1)N(C)CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 744418484 DONZOJNAUSSZPH-DVECYGJZSA-N 432.527 5.584 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)OCc1nnc(-c2cccc(C#N)c2)o1 744585018 RCYJSHODBFSAKK-UHFFFAOYSA-N 436.880 5.051 30 20 IKED CC(=O)CCc1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 745313731 VOTHUBHPZZKNEX-PGRDOPGGSA-N 432.545 5.284 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)Nc1ccc(F)c(Cl)c1 745724008 JKHMEDZPEPRUSB-UHFFFAOYSA-N 427.907 6.202 30 20 IKED N#CCOc1ccc(CNC(=O)N2Cc3cc(Cl)ccc3C[C@@H]2c2ccccc2)cc1 755987791 CZVPBJXBLKRFIH-XMMPIXPASA-N 431.923 5.252 30 20 IKED C=CC[C@@H](NC(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1)c1ccncc1 756041976 YSPJNENNBRPCHM-IFXJQAMLSA-N 426.973 5.845 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H](C)Sc2nc3ccccc3s2)c1C 762552818 KHIHVZMTTZCVLD-OAHLLOKOSA-N 433.562 5.090 30 20 IKED N#CCOc1ccc(Cl)cc1CSCCC(=O)Nc1ccccc1C(F)(F)F 764638857 BGHCWGJTBGJQRI-UHFFFAOYSA-N 428.863 5.523 30 20 IKED C[C@@H](C#N)Oc1ccc(CN2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)cc1 769385296 VLVJIBTYHCUHPH-IBGZPJMESA-N 426.520 5.180 30 20 IKED O=C(/C=C\c1cc(F)cc(C(F)(F)F)c1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 772807650 ROKDDZCGCZAVAR-BHQIHCQQSA-N 440.336 5.077 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)c1ccccc1 777296335 KGBSQZRGYAZLHQ-MOPGFXCFSA-N 448.548 5.037 30 20 IKED CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 779993974 PBOFITJVQUHOCX-VWLOTQADSA-N 431.492 5.209 30 20 IKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccccc2)nc2ccc(C)cc12 780306729 YZYCIAHMNCHZHM-NRFANRHFSA-N 435.483 5.180 30 20 IKED N#Cc1ccc(COC(=O)CCc2ncc(-c3ccccc3Br)o2)c(Cl)c1 784212947 IEMGBRGDCJKBSY-UHFFFAOYSA-N 445.700 5.305 30 20 IKED N#C[C@H](C(=O)Cc1cccc(C(F)F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 790773367 NJGJYBSIBJAQDX-OAHLLOKOSA-N 437.298 6.473 30 20 IKED Cc1ccc(C(=O)N[C@@H](CC(=O)[C@@H](C#N)c2nccc3ccccc23)c2ccccc2)cc1 792093061 HHCNXRYLDUQYQQ-RPBOFIJWSA-N 433.511 5.281 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CC=C(c3ccc(F)cc3)CC2)c1=S 798190384 UQDQDBAQTHOUNB-UHFFFAOYSA-N 436.556 5.162 30 20 IKED CCOc1ccc(-n2c(SCCO[C@H](C)C#N)nnc2-c2ccccc2Cl)cc1 801653716 KMDSQZHAWIADEA-OAHLLOKOSA-N 428.945 5.007 30 20 IKED Cc1c(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)sc2cc(F)ccc12 805706680 KDXMHTDCHOHTHJ-ZDUSSCGKSA-N 442.537 5.396 30 20 IKED C#C[C@@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccc(Cl)cc1 812351986 CKRBDENGZDPWPW-QGZVFWFLSA-N 429.328 5.412 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)cc1OC 914769252 DTHNIZJVEJWEDM-XYOKQWHBSA-N 442.487 5.398 30 20 IKED Cc1cc(C(=O)CCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C)s1 915103991 ISHHCRDJRHKCHL-CQSZACIVSA-N 436.480 5.833 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1nc2ccccc2n1C(F)F 915104228 NPJDBNJJTHYSOY-AWEZNQCLSA-N 442.372 5.174 30 20 IKED Cc1ccc(-n2c(SCC(=O)[C@H](C#N)c3ccccc3)nnc2-c2ccccc2F)cc1 916622929 RUEKAPVANGOHBD-OAQYLSRUSA-N 442.519 5.350 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cc1sc(C)nc1-c1ccc(C)cc1 916899710 LMEHTLGQXMMANB-NRFANRHFSA-N 445.588 5.442 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 916902599 GAMKAUHREXMSED-NRFANRHFSA-N 448.954 5.229 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1 916910073 OAPRVVCFJOTOHP-MRXNPFEDSA-N 431.542 5.548 30 20 IKED CCOc1c(Cl)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc([C@H](C)CC)cc2)cc1OC 916947217 GVZOJZNOMMLZTM-RDTXWAMCSA-N 428.916 5.222 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(Cl)c3c(c2)OCCO3)cc1 917803522 GBFYIKUXKLOSRO-UHFFFAOYSA-N 434.879 5.009 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 920102197 RJDUILPYDUQMIL-QHCPKHFHSA-N 448.478 6.007 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@@H](C#N)c2ccccn2)c(OC)c1 920107517 BGKVECKANBLYMK-NRFANRHFSA-N 425.488 5.056 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)n1Cc1ccccc1 920140293 AUMXSDIICBEIMM-QHCPKHFHSA-N 436.540 5.639 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCOc1ccc(Cl)cc1 1794105007 GRFXYKOPYICMCX-WKCHPHFGSA-N 447.019 5.130 30 20 IKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1CSc1ccccc1 1800665410 XTFNZMKBNNMJKT-XBYSBRQOSA-N 448.632 5.443 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccccc3o2)[nH]n1 1819305285 HFXBVVUNVQKGKQ-AZUAARDMSA-N 432.524 5.230 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2)[nH]n1 1819553624 MNSOKURAUDOGHQ-FQEVSTJZSA-N 442.991 5.290 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)sc2Cl)n[nH]1 1819966263 SBMYCPLGYXYPBZ-SMDDNHRTSA-N 441.384 5.296 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc3ccccc3o2)CC1 1823753385 LRDXDTYGVRUWOE-OAQYLSRUSA-N 437.584 5.054 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(OCC)c2)CC1 1823753656 CRYBQINUGLNBSJ-XMMPIXPASA-N 440.628 5.311 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2SC)CC1 1829069214 QUEROWGUAOMJAG-OAQYLSRUSA-N 443.657 5.029 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2OCC)CC1 1829923687 DBWKOKINGCYMMG-QHCPKHFHSA-N 440.628 5.311 30 20 IKED CC(C)=CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832633334 GRUUTGXEEUZRHM-PXDATVDWSA-N 435.612 5.293 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)(C)C)cc1)=C(/S)Nc1cccc(C)c1 10167248 NSMHNBGZBPMUKF-UHFFFAOYSA-O 431.625 6.193 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N[C@H](c2ccc(F)cc2)C(C)C)n1 10399623 WDUSLNNHTHXUSN-SFHVURJKSA-N 425.451 5.025 30 20 IKED CCc1cccc(C)c1/N=C1\NC(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)S1 16939031 ROQITLBEGCPFFV-OAHLLOKOSA-N 436.364 5.112 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C)cc2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 22799803 VLKJBQXPASPRLK-UHFFFAOYSA-O 427.952 5.688 30 20 IKED N#CCc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)cc1 25243316 VBBIGAWTMHZTIX-UHFFFAOYSA-N 438.331 5.228 30 20 IKED CCOc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1OCC 26129321 QSUKHSPPCAAEQD-GOSISDBHSA-N 442.515 5.078 30 20 IKED CCOc1c(Cl)cc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1OC 32288599 LTOHPMKKVDFTHN-UHFFFAOYSA-N 436.895 5.450 30 20 IKED CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 57617032 IDLBRVDLFUQTMH-UHFFFAOYSA-N 440.315 5.572 30 20 IKED N#CCOc1cccc(/C=C(/Cl)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)c1 65501767 WAAXOQKMXLZIDV-XNTDXEJSSA-N 425.922 5.352 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1csc(-c2ccccn2)n1 72025281 OAZODHDEMWJKTR-UHFFFAOYSA-N 426.501 5.359 30 20 IKED CCn1c([C@H]2CCCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)nc2ccccc21 303232493 YYXASBNSCDCQAZ-RUZDIDTESA-N 436.515 5.697 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(NC(=O)C4CCCCC4)c3)o2)cc1 427461042 ZESSKXXXCNUWIZ-UHFFFAOYSA-N 443.503 5.501 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)Nc2ccc(C3CCC3)cc2)cc1F 427660382 RQPMDEPBOUOHIQ-UHFFFAOYSA-N 429.451 5.334 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1noc(Cc2ccccc2)n1 431393635 ULXNCRUUTMZWNS-KRWDZBQOSA-N 439.475 5.207 30 20 IKED Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)Nc3ccc(F)cc3C#N)c12 433991638 FIVLHAWZNORUAB-UHFFFAOYSA-N 440.356 5.480 30 20 IKED C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 434211930 OZIQKXMJBVCXDX-SIBVEZHUSA-N 441.531 5.188 30 20 IKED O=C(CN[C@H](c1cc(F)ccc1F)C(F)F)Nc1ccc(Cl)cc1C(F)(F)F 434668876 DLWXWJJRCPMIIE-OAHLLOKOSA-N 428.735 5.172 30 20 IKED N#Cc1cccc(OCCCCC(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)c1 435992385 KJURMWYCNQMSDI-IYARVYRRSA-N 445.332 5.071 30 20 IKED C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 439365360 NMFDFBMUPLLKPH-DHJQOYHCSA-N 447.579 5.125 30 20 IKED COCCc1nc2cc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)ccc2o1 439984201 AHZKEUXXMQGOIT-UHFFFAOYSA-N 447.878 5.586 30 20 IKED C[C@H](N(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)(C)C 441405946 LKPUKCZWOXRXQT-MOPGFXCFSA-N 437.609 5.340 30 20 IKED Cc1ccccc1[C@@H](CC(F)(F)F)NCC(=O)Nc1ccccc1S[C@H](C)CC#N 444779432 YIZKSGLMNJZAHI-VQIMIIECSA-N 435.515 5.611 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1 444853324 CPHCXASCIYYWJH-UHFFFAOYSA-N 431.458 5.334 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)CCCCc2nc3ccccc3s2)c1C#N 445559319 CBAGHDWMSPKOON-UHFFFAOYSA-N 447.589 5.427 30 20 IKED CC(C)c1cnc(-c2ccc(NC(=O)NC3CCC(Oc4ncccc4C#N)CC3)cc2)o1 446150735 AXFQAZCPAZNCLW-UHFFFAOYSA-N 445.523 5.243 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)cc1Cl 463397606 OJZKCMKARKMJHB-HXUWFJFHSA-N 430.870 5.777 30 20 IKED COc1cccc(F)c1[C@@H](C)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 466122817 LYZZDAQMTBBDCH-QGZVFWFLSA-N 435.474 5.318 30 20 IKED N#Cc1ccc(NC(=O)N(Cc2cccc(Br)c2)C2CCOCC2)c(Cl)c1 466577848 LLUGNMQULFEUOD-UHFFFAOYSA-N 448.748 5.187 30 20 IKED CSc1ccc(F)cc1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 467709651 YIPCKBRZCMCHLA-UHFFFAOYSA-N 435.524 5.628 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1ccc(C(F)(F)F)c(F)c1C 467919637 OYJGSFMJUWVPKS-VIFPVBQESA-N 425.348 5.020 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)Nc1cc(C#N)ccc1OC(F)F 469678441 WHKRRGONPXSTHF-AWEZNQCLSA-N 442.491 5.817 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCO[C@H](c2cccs2)C1 473786103 LLQLSNZYZZWWEQ-QFIPXVFZSA-N 433.533 5.113 30 20 IKED CC(C)(C#N)CCCSc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1 476479186 DOBPRKZZHPHLIL-UHFFFAOYSA-N 442.386 5.514 30 20 IKED CC(C)Cn1cc(NC(=O)NCc2cc(F)c(C(F)(F)F)cc2F)c(C(F)F)n1 478511006 VJFKQKVQWCIYIK-UHFFFAOYSA-N 426.336 5.095 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccc(-c2ccc(Cl)cc2)cc1F 483573377 LNOZCNUTTXYSSV-UHFFFAOYSA-N 438.934 5.122 30 20 IKED CCc1c(NC(=O)N[C@H](C)c2ccc(C#N)cc2)cnn1-c1cccc(C(F)(F)F)c1 485322623 REWOUYFPZNKAPH-CQSZACIVSA-N 427.430 5.208 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 485437990 PKIYHJVIUJFXRS-UHFFFAOYSA-N 432.611 5.216 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2C(F)(F)F)n(-c2ccc(C(F)(F)F)cn2)n1 487593225 PWXBBBABUIHSSI-UHFFFAOYSA-N 432.299 5.005 30 20 IKED Cc1cccc([C@@H](NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C(C)(C)C)c1 488886561 XJNINIJJSWKNGZ-JOCHJYFZSA-N 446.551 5.235 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1-c1cccs1 489397369 DUKOVZPHTYEDLR-QGZVFWFLSA-N 446.601 5.979 30 20 IKED N#Cc1ccc(CNc2cccc(NS(=O)(=O)Cc3ccccc3)c2)c(C(F)(F)F)c1 492077524 CCRKFDLDJANFSM-UHFFFAOYSA-N 445.466 5.131 30 20 IKED C=CCN(CCc1ccco1)C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 496710072 ZPRVKFBKFBJNPZ-UHFFFAOYSA-N 431.467 5.370 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1CN1CCCCCC1 497761841 SCOJINGDWAMOJA-HXUWFJFHSA-N 436.625 5.779 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc4oc(C(F)(F)F)nc34)o2)cc1 499511769 BBALNJBQJAVYSR-UHFFFAOYSA-N 427.338 5.143 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)CC(C)C)O[C@@H](C)C2 499914190 RQJLGYHDXMVPHE-OEOAZWSVSA-N 432.564 5.069 30 20 IKED Cc1cc(-c2cc(C(=O)N(CCC#N)Cc3ccco3)c3cnn(C(C)C)c3n2)c(C)o1 502553756 ILUVNRJGLITRKJ-UHFFFAOYSA-N 431.496 5.038 30 20 IKED C=CCn1c(SCc2c(F)cccc2[N+](=O)[O-])nnc1-c1ccc(Br)cc1 504530000 MWWHBINYAJEZDV-UHFFFAOYSA-N 449.305 5.233 30 20 IKED C=C(C)COc1cccc(NC(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1 506756858 BHZZINVDLMTEGP-SFHVURJKSA-N 430.508 5.172 30 20 IKED N#C[C@@H](C(=O)c1ccc(OCc2ccccc2)nc1)c1nc(-c2ccc(Cl)cc2)cs1 508211756 UPNMMCRUGAUNBC-FQEVSTJZSA-N 445.931 5.928 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCO[C@@H](c2cccs2)C1 508466725 VTMNWLOANMQBCG-PGRDOPGGSA-N 446.576 5.397 30 20 IKED Cc1ccc([C@H](N[C@@H](C)c2ccc(C#N)cc2F)c2cccc(S(C)(=O)=O)c2)c(C)c1 512665043 CYIHRMHVSLEVQF-AVRWGWEMSA-N 436.552 5.158 30 20 IKED Cc1cc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c2ccc(Br)cc2n1 515600057 GMNIALIMMBARGZ-UHFFFAOYSA-N 449.333 5.553 30 20 IKED C[C@H](Sc1ccc(Br)cc1)C(=O)Nc1ccccc1S[C@H](C)CC#N 517517998 NYCLHVKAQISGFD-KGLIPLIRSA-N 435.412 5.963 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H](c3ccc(F)cc3)[C@H]3CCCO3)cc2)c1 517530629 UKHLKVKLKYMDQL-RPWUZVMVSA-N 431.467 5.531 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)c(F)c1 517768718 HSQNABHBOVUTQT-UHFFFAOYSA-N 445.494 5.352 30 20 IKED CCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1OC 520431903 BJSQEDXLIKHKHA-HNNXBMFYSA-N 442.487 5.766 30 20 IKED COc1cccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccccc2S[C@H](C)CC#N)c1 520939492 YZZOBFWPAHKQKK-WIYYLYMNSA-N 439.581 5.303 30 20 IKED Cc1nc(CSc2ccccc2C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cs1 520972586 DFABWHYPGLZZKW-UHFFFAOYSA-N 435.618 5.914 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)N(CCC#N)c3ccc(F)cc3)c2)cc1 521014065 GKOZUJGJNATYQH-UHFFFAOYSA-N 444.506 5.487 30 20 IKED CN(C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1c(F)cccc1F 521249035 KBMUBTPLRDMELS-UHFFFAOYSA-N 443.290 5.124 30 20 IKED COc1cc(C2(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)CCC2)ccc1C 522189028 SUAVCACKKNBMDE-UHFFFAOYSA-N 427.504 5.431 30 20 IKED Cc1ccc(OC2CCN(C(=O)c3cccc(OCc4ccccc4C#N)c3)CC2)cc1 522585693 PKRRFUWNYFPNML-UHFFFAOYSA-N 426.516 5.129 30 20 IKED Cc1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c(OC[C@H]2CCCO2)c1 523158364 ZRFLYVGZTULWAG-HSZRJFAPSA-N 427.504 5.420 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)c1 524191974 XAWRBEHJHUVPLI-UHFFFAOYSA-N 446.894 5.540 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c1C 535621297 PGNVJYDBNZJDHI-LJQANCHMSA-N 448.526 5.334 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 537517930 XIPVRVCAFYVHTA-VQIMIIECSA-N 432.553 5.235 30 20 IKED C=CCN(C(=O)[C@H]1CCC(=O)[C@@H](C)C1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 538194567 LSMDSBJIWVJHIN-AVRDEDQJSA-N 430.573 6.001 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](CC(F)(F)F)c1ccc(F)cc1 540376859 JQKYSUFZJVIDJW-RDTXWAMCSA-N 439.478 5.299 30 20 IKED Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 541499428 NUGCWDBFQVTDNZ-IRLDBZIGSA-N 427.508 5.226 30 20 IKED Cc1cnn(CCC(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c1 542154242 JVDRGDLHAXNBDY-AWEZNQCLSA-N 447.301 5.039 30 20 IKED CC[C@@H](NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)c1nc(C(F)(F)F)cs1 542564808 ALIUHNDJTGQKQT-OAHLLOKOSA-N 444.910 5.111 30 20 IKED Cc1nc(C(F)(F)F)c(CSCC(=O)Nc2ccccc2S[C@H](C)CC#N)s1 544697088 JTJLTOVLLLUILJ-LLVKDONJSA-N 445.557 5.737 30 20 IKED COc1ccc(NC(=O)c2ccc(F)c(C#N)c2)cc1NC(=O)c1ccc(Cl)cc1F 551515588 RGDQYAGAKYYLGX-UHFFFAOYSA-N 441.821 5.003 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 554078272 WCTYAWRIPAPOTL-UHFFFAOYSA-N 426.900 5.828 30 20 IKED CC(=O)CCc1ccc(OCCC(=O)N(Cc2ccccc2)c2ccccc2C#N)cc1 554274782 ZJHDWZNSMOTKJT-UHFFFAOYSA-N 426.516 5.082 30 20 IKED C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC(N(CCC)C(=O)c2cccs2)CC1 558984978 MVHXVQDBAULYRL-UHFFFAOYSA-N 449.624 5.104 30 20 IKED Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 561711462 GUNKKCLLCPWPPO-IAGOWNOFSA-N 435.543 5.040 30 20 IKED C/C(=C\c1ccccc1OC(F)F)CNc1ccc2c(c1)CCC(=O)N2CCCC#N 574084475 PBMDFZSKRHDEAG-SAPNQHFASA-N 425.479 5.386 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F 575067056 UBDKLKFDJXHSFQ-MQYQWHSLSA-N 449.313 5.039 30 20 IKED Cc1ccnc(Oc2cc(NC(=O)N(C)CCOCc3ccc(C#N)cc3)ccc2C)c1 589000565 VRBLHUYDWLCTOM-UHFFFAOYSA-N 430.508 5.043 30 20 IKED Cc1ccc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)cc1S(=O)(=O)C1CCCC1 590477874 DMEHWAOKLCQDTO-UHFFFAOYSA-N 437.348 5.142 30 20 IKED O=C(Nc1ccc(OC2CCCC2)c(F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 608331399 RGYHQKKIFDBSIY-RYUDHWBXSA-N 442.375 5.742 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCO[C@@H](c2ccccc2F)C1 609079633 IHWUPZOLOWGBFO-RUZDIDTESA-N 445.494 5.190 30 20 IKED Cc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc(C)c1OCc1cccnc1 609377046 NRLPSBJVGBIRRW-KRWDZBQOSA-N 431.561 5.782 30 20 IKED CCOc1cc2c(cc1NC(=O)c1cccc(COc3ccc(C#N)cc3)c1)O[C@@H](C)C2 609641344 OKXAFORIUQESCY-KRWDZBQOSA-N 428.488 5.112 30 20 IKED N#CC1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Oc3ccccc3)cc2)CC1 609730771 UIBWRDRMWBYRJV-UHFFFAOYSA-N 425.488 5.107 30 20 IKED COc1cc(CS[C@H](C)C(=O)N2CCCCCC2)ccc1OCc1cccc(C#N)c1 609741129 LHDGPVYBCJWRKF-LJQANCHMSA-N 438.593 5.170 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1C 610053866 RVUGSVSAPSJDEV-UHFFFAOYSA-N 445.910 5.241 30 20 IKED N#Cc1ccc(-c2nnc(CSc3ncnc4cc(-c5ccc(F)cc5)sc34)o2)cc1 610216986 XYRWKDZWHOAMLC-UHFFFAOYSA-N 445.504 5.711 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C3)c2)cc1 610598178 WDHBCKYGAWVDCY-IAGOWNOFSA-N 428.332 5.163 30 20 IKED N#C[C@@H](C(=O)c1cc2c(Cl)cccc2s1)c1nc(O)c2c3c(sc2n1)CCCC3 612941626 GYUPCOZWLNTVBS-LBPRGKRZSA-N 439.949 5.634 30 20 IKED CCCc1nc(C)c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1 613344865 RZBWMIWNCAJDLQ-CYBMUJFWSA-N 436.389 6.324 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)nc2sccc2c1=O 613440225 JQTJHIHRQCBOIA-HOTGVXAUSA-N 449.601 5.155 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)[C@H](Sc2ccccc2Cl)c2ccccc2)CC1 619713527 UBBLFFSOHNSEBU-HSZRJFAPSA-N 447.991 5.652 30 20 IKED CC(C)N(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(C#N)c(Cl)c1 619825855 BASSFCFOWGPCIF-UHFFFAOYSA-N 438.728 5.233 30 20 IKED N#C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)c1ccc(Cl)cc1 619863833 JBXAGJYXNKHYMI-UTKZUKDTSA-N 449.967 5.616 30 20 IKED N#C[C@@H](C(=O)c1oc2ccccc2c1CSc1cccs1)c1ccc2ccccc2n1 620847303 OIJYIFYWOGOLBR-GOSISDBHSA-N 440.549 6.825 30 20 IKED COc1ccc(C(=O)/C=C/c2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cc1NC(C)=O 726430619 ZKBPDSIVUVIYLT-JLHYYAGUSA-N 445.475 5.226 30 20 IKED Cc1ccc(NC(=O)c2nnc(/C(Cl)=C\c3cccc(OCCCC#N)c3)s2)cc1 726743375 FNCAGRZNUNUZQO-XMHGGMMESA-N 438.940 5.518 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 726754181 BLOYTTGXWDGORK-UHFFFAOYSA-N 435.531 5.026 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 728299672 UTPJVGVIFGPHRU-HNNXBMFYSA-N 448.885 5.241 30 20 IKED C=CCOc1ccc(/C=C/C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc1OC 729308695 JLMWTOLLISRIQW-RQFVKHKJSA-N 439.515 5.055 30 20 IKED Cc1cc(C)c(NC(=S)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(Cl)c1 730954568 CZNUJNJIXFIKPX-UHFFFAOYSA-N 443.947 6.790 30 20 IKED C[C@@H](C#N)CSc1ccccc1NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 731029117 VNRYQKWDDARLKL-SFHVURJKSA-N 444.560 5.241 30 20 IKED C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 734084165 XLDHYZMQFZLJJF-PGRDOPGGSA-N 439.540 5.440 30 20 IKED CN(C)C(=O)Sc1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1 734102196 OXADBQQFEHAFOL-UHFFFAOYSA-N 431.517 5.163 30 20 IKED CN(C)Cc1ccc(CN(C)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 738518816 ZLMJFXUNGHGZHQ-UHFFFAOYSA-N 433.939 5.338 30 20 IKED COc1ccc([C@H](Cc2ccccc2C)NC(=O)Nc2cccc(OCC#N)c2)cc1OC 743299217 NXJQSTBIIWQUKY-QHCPKHFHSA-N 445.519 5.020 30 20 IKED Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)OCC(F)(F)C(F)F)c12 744625369 CTSGPYAKFDJYCV-UHFFFAOYSA-N 436.283 5.274 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CC3(NC(=O)OC(C)(C)C)CCC3)n2)cc1 747108240 HBVSVPLJRMJSOO-KRWDZBQOSA-N 425.554 5.132 30 20 IKED COc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OCCCC#N 747472963 MTLKDABGCUPXCT-KGENOOAVSA-N 438.574 5.400 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(-c2cccnc2)cc1 747536271 AQNZMAKEUDSAFM-DCFHFQCYSA-N 432.527 6.287 30 20 IKED N#Cc1csc(/C=C2\SC(=S)N(c3ccc(OC(F)F)c(Cl)c3)C2=O)c1 748661163 JFIBSUGCVIMCCO-ACAGNQJTSA-N 428.894 5.280 30 20 IKED CN1C(=O)CCc2cc(C(=O)/C=C/c3csc(COc4ccc(Cl)cc4)n3)ccc21 754690381 TVSOCWIUTUJNMZ-UXBLZVDNSA-N 438.936 5.181 30 20 IKED N#C[C@H](C(=O)/C=C\c1ccc2ccc(Cl)cc2n1)C(=O)Nc1ccc(Cl)cc1Cl 759214210 QWVBRMUAKGSAGL-QKIRZYONSA-N 444.705 5.556 30 20 IKED Cc1c(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cnc(Cl)c1Br 760068169 DSARTYUXRZXWAZ-UHFFFAOYSA-N 435.753 5.368 30 20 IKED N#CCOc1cccc(CC(=O)Nc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)c1 760390977 LDHHLRXVOYITNK-UHFFFAOYSA-N 440.421 5.368 30 20 IKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)Nc1ccc(F)cc1OCC#N 760789633 JNWMPAVFSXNKTD-UHFFFAOYSA-N 425.463 5.433 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)c1cccc(C(=O)c2ccccc2)c1 762041321 XDHAAXDSLZCUHI-FDDCHVKYSA-N 436.536 6.021 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(-c2nc(-c3ccnc(-n4ccnc4)c3)no2)c1 762054468 LCWNVDBLWXQUSU-UHFFFAOYSA-N 440.850 5.302 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\Cc3ccc(Cl)cc3C2=O)cs1 762445997 CMFUEGLFVQNQMV-NTEUORMPSA-N 429.328 5.957 30 20 IKED N#CCOc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)cc1 765363214 LRFXALAYLWBUAZ-UHFFFAOYSA-N 433.924 5.177 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc(OC[C@H]3CCCCO3)c(F)c2)c1 772986528 YDUAZXRAHJAIGI-QTGUNEKASA-N 426.532 5.305 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1scnc1C1CC1)C(=O)c1ccccc1 782314356 SDLKUCYTIGFPLP-QNGOZBTKSA-N 430.573 6.050 30 20 IKED C[C@H](NC(=O)Nc1cc(N2CCCC2=O)ccc1F)c1ccc(-c2cccc(C#N)c2)cc1 782559839 XDYCNKORJRRYHT-KRWDZBQOSA-N 442.494 5.374 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)ccc1OC 782678486 YRMUECQRISXSJJ-MRXNPFEDSA-N 447.482 5.153 30 20 IKED N#C[C@H](C(=O)NCc1cccc(Cl)c1)C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 786534815 MPMBRAVXJIYBPR-IBGZPJMESA-N 440.833 5.049 30 20 IKED Cc1cccc(-n2c(C)cc(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)c2C)c1 787515728 MLCLEVNPCPBELG-UHFFFAOYSA-N 440.547 5.238 30 20 IKED COc1ccc(-c2csc3ncnc(NN=C4CCC[C@H](c5ccnn5C)C4)c23)cc1 790289028 ZXDPQGVWXRRFJO-INIZCTEOSA-N 432.553 5.226 30 20 IKED C=CCC[C@@H](C(=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1)c1ccccc1 801247725 LXJIMCXREGZMIE-OAQYLSRUSA-N 433.470 5.145 30 20 IKED C[C@H](C#N)OCCSc1nnc(COc2ccccc2F)n1[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 801651820 GEXGJMPYYGHWEZ-ZSXDVEMLSA-N 444.576 5.014 30 20 IKED Cc1ccccc1[C@H](O)C1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 804511136 KMNQQUOVDFPABO-AREMUKBSSA-N 425.532 5.196 30 20 IKED N#Cc1csc(/C=C2\CCc3nc(-c4ccccc4Br)sc3C2=O)n1 811691367 LWQVOTDLBZIJAY-JXMROGBWSA-N 428.336 5.113 30 20 IKED COc1cc2c(cc1NC(=O)CN[C@@H](CCCC#N)c1ccccc1)oc1ccccc12 814656867 ALDPVVZDFYFINE-NRFANRHFSA-N 427.504 5.558 30 20 IKED Cc1c(C(=O)N(C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)sc2ccc(C#N)cc12 815203653 YAJQLYMGWIBFDN-UHFFFAOYSA-N 439.581 5.086 30 20 IKED Nc1ccc(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1OC(F)(F)F 857481189 XKFBTXSGHCLBNC-CYBMUJFWSA-N 446.269 5.220 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 911596579 ZNJPPJZMJFEQEK-UHFFFAOYSA-N 448.548 5.134 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2csc(COc3ccc(F)cc3)n2)cc1 915085001 CTLCFBBENJJCGL-QFIPXVFZSA-N 443.503 5.769 30 20 IKED O=C(Nc1ccc(-c2ccccc2)cc1F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 915350946 NCNYGRMOBQXSGC-HUUCEWRRSA-N 448.382 6.524 30 20 IKED COc1cccc(NC(=O)/C(=C/c2csc(-c3ccccn3)n2)C(=O)c2ccccc2)c1 915984444 LAGKUQGXMTXRGY-RCCKNPSSSA-N 441.512 5.119 30 20 IKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc2ccccc12 916217918 YNYUPPDLIUKRKB-NRFANRHFSA-N 433.508 5.125 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917046609 LHPRSLBIEVEPOL-OAHLLOKOSA-N 441.343 5.646 30 20 IKED N#C[C@H](C(=O)CN1CCc2sccc2[C@H]1c1cccs1)c1nc2ccccc2s1 917063646 DIDBOFPHWPULOA-VFNWGFHPSA-N 435.599 5.243 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccccc2C(F)(F)F)cs1 917561342 BSWCMODODLVISE-FLIBITNWSA-N 434.414 5.882 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)Cc1csc(-c2ccc(Cl)s2)n1 920103922 IMHKCZOJXQPHBO-AWEZNQCLSA-N 439.949 5.449 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1)c1nc2ccccc2s1 920105819 FPYNMOAPMZVPMX-QKFVEJEJSA-N 449.963 5.220 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc4c5c([nH]c34)CCCC5)n2)cc1 920139698 YDJMFJNDEUYDHI-HXUWFJFHSA-N 427.529 5.669 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1C 920848835 IDXZQTMJCHYAFI-UHFFFAOYSA-N 441.579 5.569 30 20 IKED Cc1cccnc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1786503118 XYQXDVASYMGYEN-LJQANCHMSA-N 438.531 5.079 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C)nc3)cc2)CCC1 1786838668 AWDODYCTVZFVCM-UHFFFAOYSA-N 433.596 5.449 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)nc2ccccc12 1797459892 ZKCNFSIDQCCCRD-BCDXTJNWSA-N 439.987 5.132 30 20 IKED N#CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCCCCCCc2ccccc2)CCC1 1804260777 SFODKNLFPTYRPF-QEIWAGNOSA-N 449.639 5.292 30 20 IKED CCCCCc1ccc(/C=C/C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCC#N)[nH]n2)cc1 1814760661 YCJLAEMYAMRCNN-POICXBNUSA-N 447.583 5.152 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)n[nH]1 1818932537 PDGCGLJMFUGUMG-ADYITMSISA-N 438.616 5.202 30 20 IKED CC(C)=CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1820808407 QKKUQDXLKZREMG-PGRDOPGGSA-N 433.556 5.089 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccoc3s2)CC1 1824141016 DFXURVXZTGAKGS-NRFANRHFSA-N 440.609 5.496 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2scnc2C2CC2)CC1 1825645797 SYUBJJIUJRIYJH-LEWJYISDSA-N 441.641 5.022 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C(C)=C/c2ccc(C)o2)CC1 1829007923 BVIBUJIGADVUPI-PDJRJVIOSA-N 438.612 5.379 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)cccc2Cl)CC1 1829899812 RXDIEKLZSVWFHP-DENIHFKCSA-N 446.994 5.481 30 20 IKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 1829973768 LCEYLEJRYBAXPG-OAQYLSRUSA-N 435.395 5.193 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCc2cccnc2)CC1 1832340887 YDADYOSOORVUKL-XMMPIXPASA-N 439.644 5.016 30 20 IKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)s1 1832633441 CKGHQGAPOPKXHE-MBSDFSHPSA-N 449.620 5.231 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)CCC2)=C(/S)Nc1cccc(C)c1C 10168174 MDWYVECUSISSOS-UHFFFAOYSA-O 429.609 5.693 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2cccc(CC)c2)cc1 10174689 PZLZQIQSNUWXOE-UHFFFAOYSA-O 431.625 6.157 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)c2cccs2)nnc1-c1ccccc1 11056307 ACVYMMXHCRINCX-QFIPXVFZSA-N 446.601 5.191 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1)=C(/S)Nc1cccc2ccccc12 11125271 NMKJDGOOIBXGTD-UHFFFAOYSA-O 445.995 6.394 30 20 IKED C=CCn1c(S[C@H](CCCC)C(=O)Nc2cc(C)on2)nnc1-c1cccc(C)c1 11810254 ZOUDSCNNBWXVSC-GOSISDBHSA-N 425.558 5.026 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)nnc1-c1cccc(C)c1 22212550 NUDUTUIAQMLVQU-AWEZNQCLSA-N 430.936 5.351 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(OCC)cc2)=C(/S)Nc2cccc(OC)c2)cc1 22728431 DEAIQFPZSLKMER-UHFFFAOYSA-O 449.596 5.385 30 20 IKED C=CCN(Cc1ccc(Cl)s1)Cc1nnc(C(=O)Nc2ccc(CC)cc2)s1 29702498 KAFASBQQDABSEC-UHFFFAOYSA-N 433.002 5.256 30 20 IKED Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c12 60722030 JPBMFYMRVOHMDC-HXUWFJFHSA-N 442.906 5.970 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cc(Cl)ccc2Cl)=C(\S)Nc2ccc(C)c(C)c2)c1 71793484 XRIMCNORAAVFJY-UHFFFAOYSA-O 444.407 6.257 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)C1CCN(C(=O)Nc2ccccc2)CC1 115574516 UODZMAVKYICISC-UHFFFAOYSA-N 429.545 5.031 30 20 IKED N#Cc1cnc2ccc(OC(F)F)cc2c1NCc1ccc(Oc2cccnc2)c(F)c1 303040011 SPPHCVGDHPCWJN-UHFFFAOYSA-N 436.393 5.646 30 20 IKED Cc1noc(C)c1C(C)(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 430417201 UKEXXVDRGWROHW-UHFFFAOYSA-N 448.470 5.146 30 20 IKED CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 432079996 USXADZYFQQJFLQ-QFIPXVFZSA-N 447.514 5.252 30 20 IKED C[C@@H](Nc1ccc(NC(=O)CCCC(=O)Nc2ccccc2C#N)cc1)c1ccccc1 432499886 JMLQXGYAEYGHST-LJQANCHMSA-N 426.520 5.479 30 20 IKED Cc1cc(Br)ccc1CN(C)C(=O)Nc1ccccc1S[C@H](C)CC#N 434149735 FLYIIXDBECSBOS-OAHLLOKOSA-N 432.387 5.816 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(OCc3cscn3)c2)cc1F 437463065 QCIBEYMZBZSSOA-UHFFFAOYSA-N 445.475 5.777 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2n[nH]c(C3CC3)c2Br)cc1F 437475408 SUBDZFWDJOSTIM-UHFFFAOYSA-N 441.260 5.105 30 20 IKED COc1cc(C)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cn1 437772136 JNOGTPQRCVPHQQ-FGZHOGPDSA-N 442.519 5.495 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C2CC2)[C@H](C)c2ccccc2Cl)cc1 437833096 AOCBEVIBVQMRCH-GOSISDBHSA-N 437.971 5.912 30 20 IKED CO[C@@H](C)c1nc(CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cs1 438397615 CXBBCWCBDXIGKB-ZDUSSCGKSA-N 427.913 5.098 30 20 IKED CCC1(O)CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CC1 438542489 UOFWWRIBKXJANZ-UHFFFAOYSA-N 433.430 5.138 30 20 IKED N#CCC[C@@H](NC(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccccc1 438851587 PNMYHONWPDOXDJ-HHHXNRCGSA-N 449.558 5.443 30 20 IKED CCCc1c(NC(=O)Nc2ccccc2CCC(F)(F)F)cnn1-c1cccc(C#N)c1 439684169 KNXVJJRFJRAMPX-UHFFFAOYSA-N 441.457 5.835 30 20 IKED C[C@@]1(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)OCCc2sccc21 460957444 MDDOFQMBCJLEGC-DEOSSOPVSA-N 434.586 5.130 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3c[nH]cc3-c3ccc4c(c3)OCCO4)cc2)c1 461100531 XIXVTNVMERIXPB-UHFFFAOYSA-N 437.455 5.369 30 20 IKED Cc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 463587149 FDEOZWGVIZKOIZ-QGZVFWFLSA-N 432.833 5.158 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(Cl)c(N2CCNC2=O)c1 466530017 UFYZWTSAQXJGLV-UHFFFAOYSA-N 448.935 5.145 30 20 IKED COc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1C)CCO2 467151088 KDWORFWYRSATDM-QHCPKHFHSA-N 429.476 5.313 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H](c2ccsc2)O[C@H](C)C1 470600418 LXPVWUKOVVLCNT-HOYKHHGWSA-N 447.560 5.501 30 20 IKED N#C[C@@H](C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)c1nc2cc(Cl)ccc2s1 472374345 NMBNEYUZDAQTQW-AWEZNQCLSA-N 446.841 5.644 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCc2ccccc2OC(F)F)cc1 473014170 NWJBERPWCPFKHV-UHFFFAOYSA-N 438.499 5.424 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(NC(=O)CC3CCCC3)CC2)cc1 479625631 XECBBOYWMHSOFU-UHFFFAOYSA-N 447.604 5.011 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(O)(Cc4ccc(F)cc4)CC3)c2)cc1 480552601 JKVMWVVODMLLGY-UHFFFAOYSA-N 445.494 5.091 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C)c2C)nnc1-c1cccc(Cl)c1 481379275 WWKPTRMWMVCOHR-INIZCTEOSA-N 426.973 5.521 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N(Cc1ccco1)c1ccccc1C#N 482163185 JPAWOOYRQNZQKF-UHFFFAOYSA-N 444.922 5.383 30 20 IKED C=CCN1CCC(N[C@H]2CCCc3nc(-c4ccc(Br)cc4)sc32)CC1 482633182 RMKCXIMQNRNNJV-SFHVURJKSA-N 432.431 5.190 30 20 IKED C=C(C)Cn1c(S[C@H](C(=O)Nc2ccccc2Cl)C(C)C)nnc1-c1ccncc1 489393774 CSLJUUFHMHYJLX-IBGZPJMESA-N 441.988 5.325 30 20 IKED C=CCC[C@@H](C(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1ccccc1 490102897 KWNPQAYRLNURBA-HXUWFJFHSA-N 444.497 5.176 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cccc(Oc4ccncc4)c3)c2)c1 493345523 YUQSAAHWWSHXEK-UHFFFAOYSA-N 434.455 5.250 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H]3C3CCC3)s2)c(C(F)(F)F)c1 496335055 YZZGAYXQWSEKCO-SFHVURJKSA-N 434.487 5.421 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1ccc(NC(=O)CC(C)C)cc1 502618145 JBCFRDOTTDWRQL-UHFFFAOYSA-N 442.519 6.288 30 20 IKED CC[C@H](c1ccccc1)c1nnc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)s1 503455609 BIQMECXBKXQBKU-OAQYLSRUSA-N 429.549 5.273 30 20 IKED C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 505309403 CARAHCQIEHGPGJ-IBGZPJMESA-N 442.519 5.034 30 20 IKED N#C[C@@H](NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccccc1Cl 505694570 NZMJYOFBKZVJBU-OAQYLSRUSA-N 443.890 5.262 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1OCCC(F)(F)F 505807117 OWOKYCIKIOQJSF-PKOBYXMFSA-N 435.421 5.461 30 20 IKED C[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1ccc(Oc2ccccc2)cc1 506255997 VNYCRHMJRHHVST-IBGZPJMESA-N 448.544 5.047 30 20 IKED CC1(C#N)CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CC1 506638168 UVPCSZCDYMEUIY-UHFFFAOYSA-N 428.414 5.527 30 20 IKED C=CCn1c(SC[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)nnc1-c1ccccc1 508375201 HZEZBXNAVPAWOM-OXQOHEQNSA-N 429.973 5.015 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 515284050 QIRKVSWIYPJXBH-PMACEKPBSA-N 437.421 5.815 30 20 IKED N#Cc1cc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)ccc1OCC(F)(F)F 515429044 ALWAXPUPYMWBAN-UHFFFAOYSA-N 443.406 5.621 30 20 IKED N#C[C@H](C(=O)c1ccccc1NC(=O)c1ccccc1)c1nc2cc(Cl)ccc2s1 515539985 KHPKNOFNGBQHKJ-QGZVFWFLSA-N 431.904 5.692 30 20 IKED C[C@H](Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 515838060 PVNGNLSWODTMSM-LBPRGKRZSA-N 443.290 5.149 30 20 IKED Cc1ccc2c(C3=CCN(C(=O)Nc4ccccc4SC[C@H](C)C#N)CC3)c[nH]c2c1 517473797 QPVRKJNVBSDUBX-GOSISDBHSA-N 430.577 6.049 30 20 IKED C=CCOc1ccc(/C=C\c2nc(-c3cc(Cl)c(OC)c(OC)c3)no2)cc1OC 517628089 AQYSUIXVAPACEY-CLFYSBASSA-N 428.872 5.151 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(OCc2ccccc2)cc1 518256513 YMWLVEQBFRWZJH-IBGZPJMESA-N 431.561 5.982 30 20 IKED Cc1cc(Br)cc(C)c1CNC(=O)Nc1ccccc1S[C@@H](C)CC#N 518756108 YVVKNJGDGZGWIU-HNNXBMFYSA-N 432.387 5.782 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 521124285 FNKGNXASOFPOBB-IBGZPJMESA-N 446.507 5.028 30 20 IKED Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)NC3(C#N)CCCCC3)c12 523122279 UXZXKANDHGCGBW-UHFFFAOYSA-N 428.414 5.173 30 20 IKED CC[C@@](C)(NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nccs1 523560043 GXRMWZQWPGVSJV-OAQYLSRUSA-N 426.929 5.907 30 20 IKED CSc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1[N+](=O)[O-] 524389493 JURRFIMFFLAZKO-UHFFFAOYSA-N 433.489 5.328 30 20 IKED C=CCOc1ccc(CNc2ccc(NC(=O)[C@H](C)n3nc(C)cc3C)c(Cl)c2)cc1 532889317 SQCKNLRBLFOGSV-SFHVURJKSA-N 438.959 5.530 30 20 IKED Fc1ccc(C2(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCOCC2)c(F)c1 535542245 JOCSXKSRZVHSGF-UHFFFAOYSA-N 439.346 5.798 30 20 IKED O=C(Nc1cccc(O)c1F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 535658309 MFTPFCBRBFKCDU-POALUMOJSA-N 439.371 5.592 30 20 IKED Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 539303503 CKXJJWWCKCGPKU-RBBKRZOGSA-N 433.943 5.704 30 20 IKED CC(C)n1cnnc1-c1ccccc1NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 540248570 SHNRRWTUTBBMQZ-UHFFFAOYSA-N 436.519 5.386 30 20 IKED C[C@@H](NC(=O)Nc1ccc(CN2CCCC2=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 541086674 TVWQUFFHIOKJKM-LJQANCHMSA-N 438.531 5.230 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCCNc2cccc(F)c2)cc1 543291968 BFVWJFAYOWMTJX-UHFFFAOYSA-N 432.499 5.094 30 20 IKED COCCOc1ccc([C@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC 543961243 QASVISAVALZVAY-PMACEKPBSA-N 430.548 5.671 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1 546105497 WGSIWKNMIRXCHY-MRXNPFEDSA-N 433.895 5.555 30 20 IKED N#CCCn1cc(CNc2ccc3c(c2)N(CC(F)F)CCS3)c(-c2ccccc2)n1 551568990 CFOMWTHIAYWVNP-UHFFFAOYSA-N 439.535 5.253 30 20 IKED N#CCCC[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1)c1ccccc1 551830960 LQQRUNUIKSWRBD-JOCHJYFZSA-N 449.913 5.636 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@H](c2ccc(F)cc2)C[C@@H]1C 554926030 IBMOZMGQKQEBKV-ZKZIVCHGSA-N 432.543 5.231 30 20 IKED C[C@@H]1CN(C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c2ccccc21 560884834 VDVDQEKPVPLNSO-QGZVFWFLSA-N 427.529 5.053 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC4(C3)Oc3ccccc3O4)cc2Cl)cc1 572880007 HGOLPDJZXZEOEV-UHFFFAOYSA-N 447.878 5.409 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 576975618 UYCZHKROPIKRHR-UHFFFAOYSA-N 444.965 5.133 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC1(c2ccc(Cl)cc2)CCCC1 582456770 JJVKMDGDIMIDKL-INIZCTEOSA-N 441.984 5.116 30 20 IKED N#Cc1ccc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1Br 583166909 FPHWYKXGZICBGW-UHFFFAOYSA-N 430.689 5.200 30 20 IKED Cc1nc(-c2cccc(NC(=O)CNc3ccc(Oc4ccnc(C#N)c4)cc3)c2)cs1 584501924 ANZXZVBLRBIDJM-UHFFFAOYSA-N 441.516 5.228 30 20 IKED COc1ccc([N+](=O)[O-])cc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 603613785 TZGSQPAEHUGIMR-AWEZNQCLSA-N 448.287 5.524 30 20 IKED Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 603806842 QCTBEMXENNXSNN-CYBMUJFWSA-N 444.969 5.070 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1sc(-c2ccccc2)cc1C#N 603968938 NYPDXGOQOVODAP-UHFFFAOYSA-N 433.533 6.034 30 20 IKED CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 608938185 GRXZPLODFJSEOZ-UHFFFAOYSA-N 449.963 5.753 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1Cc1cccc(F)c1 609078757 MQTCLRQXWMBUND-XMMPIXPASA-N 443.522 5.824 30 20 IKED Cc1nc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)nn1-c1c(Cl)cccc1Cl 609427602 QDYBHHGIKFAPBD-LBPRGKRZSA-N 446.363 5.529 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)cc2)c1 609434201 DEFRKIBCTRQBRR-UHFFFAOYSA-N 440.503 5.233 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 609434934 DDZGFPDTZIXBKL-HOTGVXAUSA-N 430.524 5.007 30 20 IKED CN(C)c1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c(C(F)(F)F)c1 609642152 ZJXRDPOKDDKSDN-UHFFFAOYSA-N 439.437 5.474 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)NC[C@H]3CCCO[C@@H]3c3ccccc3)c2)cc1 609643339 XJKQCISESUXIOQ-AOYPEHQESA-N 426.516 5.035 30 20 IKED COc1ccc2c(-c3ccccc3)cc(S[C@H](C(N)=O)c3ccc(C#N)cc3)nc2c1 609648566 RHYKDSVMURXHAP-DEOSSOPVSA-N 425.513 5.101 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)ccc21 609651807 RPTQSPCUFFJNGO-AWEZNQCLSA-N 446.498 6.140 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3c(cnn3C(C)C)c2)cc1C 609764345 WPXWRFDXCJJJHY-UHFFFAOYSA-N 426.524 5.264 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Cc2csc(-c3ccoc3)n2)cc1 609968596 UQDYJOCDSSFETJ-UHFFFAOYSA-N 431.492 5.185 30 20 IKED CCCN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@H](C)c1ccc(Cl)c(Cl)c1 609995633 DKLLBBSGJCDSQO-CQSZACIVSA-N 442.350 5.246 30 20 IKED Cc1ccccc1[C@@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCO1 610321627 NKYPWTMCFLUNQT-SANMLTNESA-N 441.531 5.246 30 20 IKED CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1c(Cl)cc(C#N)cc1Cl 611355369 AQBXXXVMFVFGFP-QGHHPUGFSA-N 442.140 5.134 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C)n(Cc4ccccn4)c3C)n2)cc1 613314661 SCDWGSRHQOMYBO-JOCHJYFZSA-N 426.545 5.470 30 20 IKED O=C(Nc1ccc(Br)cc1F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618539920 YAFVZOSPQINKQB-OCAPTIKFSA-N 437.153 5.183 30 20 IKED O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1ccc(-c2noc(C(F)F)n2)cc1 672867010 XFARROWWSBROLI-UHFFFAOYSA-N 433.283 5.581 30 20 IKED C#Cc1cccc(N(CC)C(=O)CCc2nc(C)c(-c3ccc(Br)cc3)o2)c1 730180546 HGDSBVHTIVEMIP-UHFFFAOYSA-N 437.337 5.380 30 20 IKED Cc1nc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)oc1-c1ccccc1 730394693 AOYITUJWBJBQIL-FQEVSTJZSA-N 438.512 5.454 30 20 IKED CCN(CC)c1ccc(N(Cc2cccs2)C(=O)Cc2ccc(OCC#N)cc2)cc1 731968154 LLGBKFWENIKYQS-UHFFFAOYSA-N 433.577 5.273 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OC 733229921 JBMFBCHIQNCBID-IKGGRYGDSA-N 433.335 5.103 30 20 IKED Cc1cc(S[C@@H](C)C(=O)OCc2ncc(C(C)(C)C)o2)n2c(nc3ccccc32)c1C#N 733412767 OOTRFRDBRQKEBM-HNNXBMFYSA-N 448.548 5.177 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)ccc1OC 733648198 SBUUZDNNLVDMEJ-SIKLNZKXSA-N 427.520 5.102 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(OCc3cccc(C)c3)c2)c1 733845155 NQOBUBPIHWTTQJ-QHCPKHFHSA-N 429.520 5.577 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)c1 733851630 FROAGXZUHCSBFO-LJQANCHMSA-N 431.458 5.261 30 20 IKED CN(C(=S)Nc1ccccc1C#N)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 734099761 WPMNQFUPXJHKKK-UHFFFAOYSA-N 428.439 5.598 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCc3sccc3[C@@H]2c2cccs2)c1 734278719 YNSAHSGQNMWKMG-VGOFRKELSA-N 437.590 5.348 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)OCc1ccc(Oc2ccccc2F)c(F)c1 736765939 FLDBZHUUOYMYED-UHFFFAOYSA-N 438.430 5.022 30 20 IKED N#C[C@@H](C(=O)CCSc1ccc2c(c1)OCCO2)c1nc2cc(Cl)ccc2s1 739155493 IHCVZRLCVAHJIC-AWEZNQCLSA-N 430.938 5.080 30 20 IKED C[C@@H](C#N)Oc1ccc(CN[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1 742382991 QPODAOWSBXCUSL-GKVSMKOHSA-N 434.923 5.281 30 20 IKED CC(C)(C)OC(=O)Cc1cccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 743094953 FWQDHBLYRWLZEL-XMMPIXPASA-N 441.531 5.870 30 20 IKED C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 743971282 AXZBWNLKQHZSDV-DPQOWFAMSA-N 441.506 5.029 30 20 IKED CCS(=O)(=O)c1ccccc1Oc1ccc(NCCCOc2ccc(C#N)cc2)cc1 745993398 BUKWBAMJDNRJPW-UHFFFAOYSA-N 436.533 5.025 30 20 IKED O=C1/C(=C/c2cnc(-c3ccccn3)s2)CCC/C1=C\c1cnc(-c2ccccn2)s1 753136600 XRUAOXKGCFHIEU-UNZYHPAISA-N 442.569 5.944 30 20 IKED C#CC[C@H](NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1)c1ccccc1 757770813 BXWSVIUZBOPCIK-XZOQPEGZSA-N 427.548 6.076 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(-c2nc(-c3cccc(N4CCOC4=O)c3)no2)cc1 762197765 PSRGLASWTLXDKO-UHFFFAOYSA-N 442.406 5.163 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@H](c3ccc(Cl)cc3)C2)c1=S 764992067 VEFCXQKBEPSQEZ-IBGZPJMESA-N 425.989 5.153 30 20 IKED N#CCSc1ccccc1C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 766131881 QFDFCZHRGMQSRE-UHFFFAOYSA-N 439.899 5.599 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)cc1Br 768780838 CUJICUFHBJIXTN-ZDUSSCGKSA-N 440.124 5.334 30 20 IKED CC(C)Oc1ncc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1Cl 770099900 LVHQOQNQWQPGEH-SFHVURJKSA-N 449.894 5.276 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(CC(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)c1 772404386 PUYUTECHOBLADN-KRWDZBQOSA-N 434.323 5.264 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)c1 772986529 YDUAZXRAHJAIGI-ZEYPLWLESA-N 426.532 5.305 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2nc(-c3cc4ccccc4o3)cs2)c1 776145006 PCBVHNWZAOKYSW-SFHVURJKSA-N 446.532 5.237 30 20 IKED N#Cc1cc(N[C@H](c2ccccc2)c2ccc(OC(F)F)cc2)ccc1N1CCC(O)CC1 779159423 JQAONYZOFSEBAJ-RUZDIDTESA-N 449.501 5.322 30 20 IKED Cc1nc2c(s1)[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)CCC2 780502130 WUAJSZLCEDXJLG-RXVVDRJESA-N 436.968 5.960 30 20 IKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc(OC)c1C(C)C 781447086 BKNSARQHOUCADL-MRXNPFEDSA-N 435.307 5.095 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)Nc3cccc(SC(F)F)c3)cc2)cc1 784318265 LWEULAPPFRJMEU-UHFFFAOYSA-N 439.443 5.242 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 789457099 SCTKVZGVHICRNY-HXUWFJFHSA-N 427.589 5.544 30 20 IKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)nc1C(F)(F)F 790006128 RKPSFVPKJLXCPE-UHFFFAOYSA-N 436.661 6.044 30 20 IKED CN(C)C(=O)c1ccc(C(=O)/C=C/c2cnc(-c3ccc(Br)cc3)s2)cc1 792923241 GTTRQPYSWWIELF-VAWYXSNFSA-N 441.350 5.171 30 20 IKED C=CCN(CCC#N)Cn1nc(-c2cccnc2)n(-c2ccc(Cl)c(Cl)c2)c1=S 793560860 QIQBTMIHIOWHBJ-UHFFFAOYSA-N 445.379 5.131 30 20 IKED C=CCn1c(-c2cccc(Cl)c2)nn(CN2CC(C)(C)[C@H]2c2cccnc2)c1=S 793569907 DNAZKHYKYMMKCM-LJQANCHMSA-N 425.989 5.356 30 20 IKED C[C@H](Oc1ccc2ccccc2c1)C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 795721639 YVRAOSSPZMHNHS-MSOLQXFVSA-N 448.544 5.041 30 20 IKED COc1cc2c(cc1F)C/C(=C\c1csc(N(C(C)=O)c3ccc(F)cc3F)n1)C2=O 798370987 DCGCZSYHLLVENY-AWNIVKPZSA-N 444.434 5.076 30 20 IKED COc1cccc2c1CC/C(=C/c1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)C2=O 799502550 MXPDVFHDJXFXSQ-QINSGFPZSA-N 438.936 5.702 30 20 IKED N#CC1(CCCOC(=O)/C(=C/c2ccc(Cl)cc2)c2ccc(F)cc2)CCOCC1 800075782 DWKJTEYQVKDFDC-CJLVFECKSA-N 427.903 5.663 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)cc1 800526730 CIOVYIJJGKSRPW-JOCHJYFZSA-N 431.923 5.274 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2c(F)cccc2N2CCCC2)cc1 806201250 VCXQYCPZQKSWSU-JOCHJYFZSA-N 428.511 5.403 30 20 IKED CC[C@H](C#N)Oc1cccc(CNCc2cc(Br)cc(Br)c2)c1 808388813 ASOIRSSELYPOTN-QGZVFWFLSA-N 438.163 5.182 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F 809128453 VTQJADJYJQAWHO-QGZVFWFLSA-N 446.347 5.074 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 812184794 JOBQNAOQOUTRIR-GZRFBZBPSA-N 439.362 5.153 30 20 IKED CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915353915 ZJDXCSWGYCCWPE-SANMLTNESA-N 426.564 5.852 30 20 IKED Cc1cc(C=Nn2c(S)nnc2-c2ccccc2Cl)cc(C)c1OCc1ccccn1 915944789 NOVOSFIGMBXHLX-UHFFFAOYSA-N 449.967 5.360 30 20 IKED C=CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(Cl)cc1 916210932 IMMPEVWWEINICS-IBGZPJMESA-N 427.957 5.103 30 20 IKED Cc1csc(SCc2c(C(=O)Nc3sc(C)c(C)c3C#N)oc3ccccc23)n1 916834024 NOQVLVRFLDIHRU-UHFFFAOYSA-N 439.587 6.292 30 20 IKED Cn1c([C@H](C#N)C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2ccccc21 916844140 WKYYDXRSMNUOIT-IDTUSYRASA-N 437.343 5.501 30 20 IKED N#C[C@@H](C(=O)COc1c(Cl)cccc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 916928282 JCQKIPAUVSCRDC-JTQLQIEISA-N 432.090 5.027 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3cc(Br)ccc3F)n2)cc1 916973416 XDABZHMFSATEHR-UXHZXRBQSA-N 441.325 5.910 30 20 IKED N#C[C@H](C(=O)CCCOc1ccc(Cl)cc1Cl)c1nc2ccccc2n1C(F)F 917040530 LHKJXLVWNVEFSE-CYBMUJFWSA-N 438.261 5.774 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)OCc2csc(Cc3ccccc3)n2)o1 917328033 OBUDPSOLWWINTE-UHFFFAOYSA-N 430.485 5.135 30 20 IKED CC(C)c1cccc(N=C2NC(=O)[C@@H](CC(=O)Nc3ccc(SC(F)F)cc3)S2)c1 917634519 DUJZJNZPZGBEGR-QGZVFWFLSA-N 449.548 5.373 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC([C@@H](O)c4ccccc4)CC3)cc2)cc1 921120838 ZTLFWBQBFWHQKY-VWLOTQADSA-N 427.504 5.328 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)CCC1 1785788396 YHHUHLIBMYXXFL-AWEZNQCLSA-N 432.351 5.348 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CSc3ccncc3)cc2)CCC1 1786766196 ZQHMSNJMQVMZSB-UHFFFAOYSA-N 435.593 5.076 30 20 IKED Cc1cccc(-c2ncccc2C(=O)Nc2ccc(C3(NC(=O)CCC#N)CCC3)cc2)c1 1788363124 BMLKJISFQXIUHF-UHFFFAOYSA-N 438.531 5.109 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4ccoc4s3)cc2)CCC1 1788415808 XKDOTGACIHXPSI-HNNXBMFYSA-N 439.537 5.043 30 20 IKED O=C(C#Cc1ccccc1)NC1(c2ccc(NC(=O)c3ccc4cnccc4c3)cc2)CCC1 1789011142 BTZLAJIIAONOEK-UHFFFAOYSA-N 445.522 5.034 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCCc3ccncc3)CCC2)cc1 1789452850 BEMNENSXLZHWHI-DEOSSOPVSA-N 431.580 5.307 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(C)cccc3Cl)CCC2)cc1 1790566809 DORHOBGCFYTPSR-KRWDZBQOSA-N 441.959 5.197 30 20 IKED Cc1oc(C(C)(C)C)cc1C(=O)NC1(c2ccc(NC(=O)C3(C#N)CCC3)cc2)CCC1 1792229513 HOGMGPHHTXSJBP-UHFFFAOYSA-N 433.552 5.327 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1[nH]c2c(Cl)cccc2c1C 1796704353 TVHHGCWXPNRTEG-BCDXTJNWSA-N 442.003 5.374 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c2cc(Cl)ccc12 1797443049 CKZRXHJOMZNJRN-BCDXTJNWSA-N 427.976 5.066 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1Oc1ccccc1)C2 1798592403 OCTXVIAQORHQHN-KOUNCHBCSA-N 446.591 5.723 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccnc1 1802494625 DXGIQKRPEVCTMO-RBBKRZOGSA-N 439.987 5.047 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccccc2)[nH]n1 1814445702 UIQRNOSKRDSWRB-SJBKTWHCSA-N 434.584 5.198 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2)[nH]n1 1819305156 PAKUGNPYNFZCIM-TZIWHRDSSA-N 440.975 5.066 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C)c(F)c2F)[nH]n1 1819310911 DRJNUJZNBUGRKY-QFBILLFUSA-N 442.510 5.071 30 20 IKED CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)CCCC1 1819384405 ODRWOVAPKHWBMD-HXUWFJFHSA-N 442.680 5.033 30 20 IKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccc(C)cc3s2)n[nH]1 1821528456 TURMIGHIUITIOU-LJQANCHMSA-N 434.565 5.042 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cccs2)CC1 1827077888 XYPFXLZLGRADQT-ZQHIUPPVSA-N 426.626 5.149 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(F)c2)CC1 1828827723 SWDOIGUOCDRLOB-DNQXCXABSA-N 426.576 5.136 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CSc2c(C)cccc2C)CC1 1829099711 KFEKHGDSGMLWGW-GMAHTHKFSA-N 442.669 5.227 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3cccnc3)cc2)CC1 1830452335 WFUQDHLKKPEFSZ-HFZDXXHNSA-N 445.607 5.194 30 20 IKED N#CCCn1cc(/C=C/C(=O)N2CCc3sccc3[C@@H]2c2cccs2)c2ccccc21 8721328 KVDBIEOUNMXMCL-REJWQLKLSA-N 443.597 5.865 30 20 IKED C=CCOc1c(Br)cc(CNCc2ccc3cc(OC)ccc3c2)cc1OC 11102301 SWTXUGSEJGVWGU-UHFFFAOYSA-N 442.353 5.474 30 20 IKED C=CCn1c(SCc2ccc(C(N)=O)cc2)nc2scc(-c3ccc(C)cc3)c2c1=O 16764892 HUJDLIDHPHDIGH-UHFFFAOYSA-N 447.585 5.011 30 20 IKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1-c1ccc(Cl)cc1 20992239 PYLSPNMPTRUIEQ-UHFFFAOYSA-N 444.347 5.780 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccc(F)cc1 24014716 AUQVUBUTJZAFNM-HNNXBMFYSA-N 444.963 5.660 30 20 IKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2CC)ccc1Cl 26996849 HLUIIECKMLRFSQ-LJQANCHMSA-N 447.000 5.126 30 20 IKED CN(C)c1ccc([C@H](CNC(=O)/C=C/c2ccccc2C#N)c2c[nH]c3ccccc23)cc1 28936635 MIMDXHRXCOZHHG-BEWKRWDNSA-N 434.543 5.067 30 20 IKED Cc1cccc(-c2nc(CC(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cs2)c1 31776698 JGTUDOMQULOHGI-UHFFFAOYSA-N 439.540 5.750 30 20 IKED N#CC1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccccc2Cl)CCC3)CC1 61585037 YAKKFZPTNNUZRU-CAPFRKAQSA-N 441.962 6.141 30 20 IKED C=CCOc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)cc1OC 79308021 ONXFBHLIQUTOCH-FQEVSTJZSA-N 433.552 5.210 30 20 IKED CCc1cc2c(CNc3ccc(OCc4cccc(C#N)c4)cc3)cc(=O)oc2cc1O 97543276 IMPAZEPZXJYUKG-UHFFFAOYSA-N 426.472 5.124 30 20 IKED N#Cc1ccc(NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)cc1Cl 247643524 IWIVPKTWCNEJCZ-UHFFFAOYSA-N 441.984 5.253 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)nnc1-c1cccnc1 302986148 VFRRSJHVSBYNAI-ROUUACIJSA-N 443.576 5.037 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCC3(c4cccc(F)c4)CC3)c2)cc1 303813624 LPOFLBPVGZXGEF-UHFFFAOYSA-N 429.495 5.324 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C[C@@H]1CCCN(C(=O)NCC(C)C)C1 303813888 DFTLACAAJQHPIU-NRFANRHFSA-N 448.567 5.065 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)cc1 431976221 BCECUMLUZFLROV-OAQYLSRUSA-N 429.495 5.492 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1ncc(Br)s1 432504749 WXLCHMNJADRRRL-NSHDSACASA-N 442.429 5.029 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1)c1ccccc1 432916860 KGGJKGVNMJUDHN-VWLOTQADSA-N 440.547 5.216 30 20 IKED N#CCCn1cc(CN(Cc2ccc(Cl)c(Cl)c2)C2CC2)c(-c2ccncc2)n1 435130505 PZHNKWIXKWHZBT-UHFFFAOYSA-N 426.351 5.330 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H]3C[C@H](c4cccc(F)c4)C3)c2)c1 436369851 YULMNAOVFCQHIV-UILWBTOOSA-N 428.467 5.017 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)Nc3ccc(Cl)cc3Cl)c2)c1 437351667 HTNFNLGGSLHOCQ-UHFFFAOYSA-N 440.286 5.021 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N2CC[C@H](C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 437410916 UQTLOGRGSHFXPQ-YWZLYKJASA-N 431.458 5.236 30 20 IKED Cc1ccc(C)c([C@H](C)N(C)C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 442005047 WQKHYRLMKLSMNS-SFHVURJKSA-N 445.494 5.265 30 20 IKED C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC2(CCOCC2)[C@@H]1C 460955667 CLYHTXMHSVNNEE-KRWDZBQOSA-N 433.021 5.195 30 20 IKED C=C(C)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)c1ccc(-c2ccccc2OC)cc1 460962627 ZRKLFKHIMDGIIU-DENIHFKCSA-N 432.568 5.231 30 20 IKED N#Cc1cc(NC(=O)c2c[nH]c3ccccc3c2=O)ccc1Oc1ccc(C(F)(F)F)cc1 464291764 CDUUUPKMWMEBMD-UHFFFAOYSA-N 449.388 5.463 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2)cc1 464382834 JFAAUNPHBBDULZ-IBGZPJMESA-N 437.547 5.037 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CNc2ccccc2C(=O)N(C)C2CCCCC2)c1C 470555643 JQKODHFHGNTQFM-UHFFFAOYSA-N 446.595 5.067 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)N(c3ccccc3)[C@H](C)c3ccc(Cl)cc3)CC2)o1 472938296 JUTIXACATNLLJR-QGZVFWFLSA-N 448.954 5.519 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 476799846 RPSCXDJWIDMVOZ-CYBMUJFWSA-N 435.387 5.120 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1c(C)cc(Br)c2ccccc12 478141633 POUORCBLNOFNIJ-UHFFFAOYSA-N 443.341 5.606 30 20 IKED COc1cccc(OC)c1Oc1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)cn1 481915281 DAOHMGNDHLNNJX-JOCHJYFZSA-N 429.520 5.320 30 20 IKED CN(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H](c1ccncc1)c1ccc(Cl)cc1 483582255 KKQPFBHFJNLWBZ-FQEVSTJZSA-N 444.844 5.879 30 20 IKED C=CCSc1ccccc1C(=O)N[C@H](CCC)C(=O)Nc1cccc(N2CCCC2)c1 486245038 VVDNQQHLXNDIDW-JOCHJYFZSA-N 437.609 5.102 30 20 IKED C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc2ncsc2c1 487022692 QKRCUHHDGZDGKO-QGZVFWFLSA-N 444.535 5.780 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 495105578 SXMWRQWPCZEURO-UHFFFAOYSA-N 425.941 5.227 30 20 IKED N#C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(Br)cc1 499432924 PXFFSVHRYSGPAE-QGZVFWFLSA-N 444.716 5.071 30 20 IKED CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)c1 499858022 BIJLHBCEQYIGLM-IBGZPJMESA-N 432.351 5.250 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)N[C@@H]3CCc4c3ccc(Cl)c4Cl)CC2)c1 501046094 LDYAEBQXCCUJJG-HXUWFJFHSA-N 430.335 5.105 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12 505201277 PMPZCBBFARRVAT-UHFFFAOYSA-N 426.495 5.244 30 20 IKED N#C[C@@H](NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1cccc(C(F)(F)F)c1 505911774 GBTOXOLKKJCSIT-GOSISDBHSA-N 431.801 5.541 30 20 IKED COc1ccccc1-c1csc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)n1 508490489 QMYWVEYOJSVHSO-UHFFFAOYSA-N 441.512 5.522 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccc(OC(F)F)cc3)c2)cc1 509919200 KKYPPTLFHLNLQP-UHFFFAOYSA-N 437.446 5.255 30 20 IKED CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3)ccc2C#N)cc1OCC 510190223 NBBRHRISEOASEP-UHFFFAOYSA-N 433.533 5.148 30 20 IKED C=CCOc1cccc(NC(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 511003288 VFAWEPYPRQWUDD-UHFFFAOYSA-N 433.474 5.010 30 20 IKED CCCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 511332551 IOUAMMNJHDBNGB-QHCPKHFHSA-N 445.950 5.373 30 20 IKED C[C@H](C#N)CN(C)C(=O)c1cc(/C=C/c2cccs2)nc2ccc(Br)cc12 512856078 JUBBGLNDBSCMGU-PSKZRQQASA-N 440.366 5.461 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)sc1-c1cccc(Cl)c1 512982325 XIIIRRLCIOPGNK-QGZVFWFLSA-N 435.961 6.386 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1 513238708 PEXGNMRHIHVJLS-XMMPIXPASA-N 438.487 5.117 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)n1 514961308 UTZJQVZKSRBGDJ-IUODEOHRSA-N 425.501 5.186 30 20 IKED Cc1ccc(C)c(C(=O)c2ccccc2C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c1 515540407 RTAYNAJJKOQMJD-FQEVSTJZSA-N 443.453 5.769 30 20 IKED Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 515713340 CXZQDBUNDVWGJU-UHFFFAOYSA-N 445.910 5.890 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)cc2)ccn1 518628133 GNYLOCQSGCXROP-UHFFFAOYSA-N 443.444 5.030 30 20 IKED Cc1cc(F)cc([C@]2(F)CCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)C2)c1 519735337 RKCHDIFQWJAOTI-DEOSSOPVSA-N 434.446 5.296 30 20 IKED COCCC[C@@H](c1ccc(Cl)cc1)c1noc(C2(c3cc(F)cc(C#N)c3)CC2)n1 521260949 NYNPHTBUPJXRKN-FQEVSTJZSA-N 425.891 5.372 30 20 IKED CCOc1ccc(-c2noc(CCC(=O)Nc3ccccc3S[C@@H](C)CC#N)n2)cc1 521326742 DRVUWOAUJNGFCI-INIZCTEOSA-N 436.537 5.101 30 20 IKED CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1 522311447 KPBKRNYNKMULEY-UHFFFAOYSA-N 441.531 5.308 30 20 IKED COc1cc(CSCc2nc(-c3cccs3)no2)ccc1OCc1cccc(C#N)c1 522629285 FFZPNKQNRQCDQG-UHFFFAOYSA-N 449.557 5.691 30 20 IKED CN(C)Cc1cccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 524439352 TWZPMQHZPVKMHD-UHFFFAOYSA-N 448.954 5.174 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc(OC)c1OC 524457553 NXJKSJPWOQMVGJ-UHFFFAOYSA-N 446.478 5.274 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2C)c1ccc(C(F)(F)F)cc1 532753866 XQTMEAOGOIIDGF-IBGZPJMESA-N 431.458 5.443 30 20 IKED CCN(C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1)c1ccc(C#N)c(Cl)c1 536972490 XXFHJWOOUJKEED-UHFFFAOYSA-N 448.935 5.560 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](CC(F)(F)F)c1ccc(F)cc1 540376849 JQKYSUFZJVIDJW-KBXCAEBGSA-N 439.478 5.299 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](CCO)c1ccccc1Br 541043525 DNWNFFFJKZMCNH-WMLDXEAASA-N 448.386 5.089 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N(Cc3ccccc3C(F)(F)F)C3CC3)n2)c(F)c1 541104987 UTCOUTJJZSJZGU-UHFFFAOYSA-N 443.404 5.098 30 20 IKED N#CCN1CCC(CNC(=O)c2ccc(Cl)cc2Sc2ccc(Cl)cc2)CC1 542655342 MHAUHEKDCXWPFQ-UHFFFAOYSA-N 434.392 5.110 30 20 IKED N#CCC1CCN(C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)CC1 542894519 UAAAUNGQEHLKFQ-FQEVSTJZSA-N 430.321 5.013 30 20 IKED C[C@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 544584013 OXUVFIYZUGZQFF-SBUREZEXSA-N 446.938 5.801 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1-c1nc(Cc2cscn2)no1 545593318 FEPABJZDELSYBL-UHFFFAOYSA-N 437.550 5.122 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H](C2CCCC2)C(F)(F)F)cc1 546839184 WCAWHNIWESMOOR-OAQYLSRUSA-N 431.458 5.574 30 20 IKED CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 550296065 GILJUVURLSUPIK-IBGZPJMESA-N 430.470 5.216 30 20 IKED N#CCCC[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1)c1ccccc1 551830961 LQQRUNUIKSWRBD-QFIPXVFZSA-N 449.913 5.636 30 20 IKED N#CCCC[C@@H](NC(=O)C(=O)Nc1ccccc1Nc1c(F)cccc1F)c1ccccc1 551831478 GWUIPGLZEKADDF-HXUWFJFHSA-N 448.473 5.198 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1cc(Br)cc2cccnc12 558756659 JZLDGBRALPQXLC-UHFFFAOYSA-N 438.712 5.194 30 20 IKED C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC(c2cccc3ccccc23)CC1 559026028 LHTDVAWYIAZIOA-FQEVSTJZSA-N 434.584 5.115 30 20 IKED COCC[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)c(Cl)c1 560269051 CNXXILMKRCKYNU-QHCPKHFHSA-N 432.395 5.197 30 20 IKED Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)[nH]c2c1 564281187 CKVQWEKWIXWQPA-KRWDZBQOSA-N 429.402 5.011 30 20 IKED Cc1cc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)ccc1NC(=O)CC(C)C 569753490 FHQJICOEXIFEDP-UHFFFAOYSA-N 443.572 5.931 30 20 IKED FC(F)C1(c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)no2)CCCC1 572443296 BLSQFLJAAYOVBX-UHFFFAOYSA-N 431.283 5.168 30 20 IKED CCNc1ccc(C#N)cc1NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 573349457 UDYDAXFEYXSYEB-UHFFFAOYSA-N 444.322 5.308 30 20 IKED N#Cc1ccc(CSCC(=O)N2CCc3nc(-c4ccccc4Cl)sc3C2)cc1 576019035 PRRXYZSGCANNAQ-UHFFFAOYSA-N 439.993 5.153 30 20 IKED N#Cc1ccc(CNC2(c3cccc(OC(F)(F)F)c3)CCOCC2)c(C(F)(F)F)c1 576037806 XDXGSFJOUYWTPC-UHFFFAOYSA-N 444.375 5.271 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cccc([N+](=O)[O-])c1C 603722340 HHJPDZQMZNNJSY-UHFFFAOYSA-N 430.917 5.205 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3sc4cc(F)ccc4c3Cl)c2)c1 603995394 KGTLWUCDWIGDOK-UHFFFAOYSA-N 449.894 6.070 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604499467 CHGWXKGJRBUJGA-HNNXBMFYSA-N 440.425 5.989 30 20 IKED CN(C(=O)c1oc2ccccc2c1CSc1ccccc1F)c1ccc(C#N)cc1F 609216544 LGHAIGGKDLHBQC-UHFFFAOYSA-N 434.467 6.152 30 20 IKED CCCN(Cc1ccccc1Br)C(=O)Nc1ccccc1SC[C@@H](C)C#N 609398241 MPFNLFBQLQQMRA-INIZCTEOSA-N 446.414 6.145 30 20 IKED CCCN(C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H](C)c1cc2ccccc2o1 609403289 KHWLVWPOEOLLDM-MSOLQXFVSA-N 449.576 5.623 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)nnn1-c1cccc2cccnc12 609444337 XOJMTUUAXYPCFW-UHFFFAOYSA-N 446.470 5.040 30 20 IKED CCCCNC(=O)c1ccc(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 609515597 MBRNZABWSXXSCQ-UHFFFAOYSA-N 441.531 5.005 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCc4cccc(Br)c4C3)cn2)c1 609826704 SHTXDBJXKIIBKO-UHFFFAOYSA-N 449.308 5.098 30 20 IKED C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccc(C#N)c1 610323523 CKGWPKQCPRHUTN-INIZCTEOSA-N 430.895 5.545 30 20 IKED COCCOCc1cccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 610334717 YNPKDVKYGVXSDU-UHFFFAOYSA-N 435.455 5.297 30 20 IKED Cn1nc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c2ccccc21 612749037 JYIGUQUMEZGMJB-HXUWFJFHSA-N 429.911 5.204 30 20 IKED N#Cc1cc(NC(=O)c2cc3c(C(F)(F)F)cc(O)nc3o2)ccc1Oc1ccccc1 614662882 NYYGMEQAZVBXEG-UHFFFAOYSA-N 439.349 5.468 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 615584608 YXCYDYUZALZWLG-UHFFFAOYSA-N 439.899 5.414 30 20 IKED Cc1ccc(F)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1Br 618638562 IECTYSUKURGMER-UHFFFAOYSA-N 426.245 5.208 30 20 IKED O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 674033962 KGXFIJAVGRWNST-QCNOEVLYSA-N 428.339 5.127 30 20 IKED O=C(Nc1ccc(Cl)cc1OC(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 680832403 LHKHBDMEPWJVQJ-OCAPTIKFSA-N 440.718 5.536 30 20 IKED C=CCN(C(=O)c1coc(C2CCC2)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 683439458 NAHHDLZQZSREMP-UHFFFAOYSA-N 434.348 6.205 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1Cl 726626200 AWYPEMJDTIAAGE-CHHVJCJISA-N 435.755 5.380 30 20 IKED N#C[C@H](C(=O)CSC[C@@H]1CCCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 727626802 GARRAMMJHXHBIQ-DZGCQCFKSA-N 441.405 5.595 30 20 IKED C[C@H](NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1csc2ccccc12 729977744 RQOZGCDEGXNZGS-HNNXBMFYSA-N 445.504 5.078 30 20 IKED N#C[C@@H](C(=O)C1(c2ccc(Br)cc2)CCCC1)c1nc2cc(F)ccc2s1 730420417 DNNQEWDUIFMRAJ-INIZCTEOSA-N 443.341 5.886 30 20 IKED C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)/C=C/c1ccccc1Br 730997767 UABLEBPVNRZLLC-VNDWYCCKSA-N 437.384 5.113 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 731128725 JINICBDUTTZEMI-SFHVURJKSA-N 447.482 5.013 30 20 IKED COc1ccc2cc(/C=C/C(=O)N[C@@H](C#N)c3ccc(OC(F)(F)F)cc3)ccc2c1 731197119 OFXXLJXVSAKNBY-OQCLPQHESA-N 426.394 5.141 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3sccc3NC(=O)c3ccncc3)cc2)c1 731345312 MJHZSVRJXHBSSQ-UHFFFAOYSA-N 440.484 5.312 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccc(OC(F)(F)F)cc1 733079676 IIVSBCDFWHLRLZ-UHFFFAOYSA-N 441.335 5.292 30 20 IKED C[C@H](CC(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1ccc(C(F)(F)F)cc1 733523026 MJUPMBFEXCJQFC-MRXNPFEDSA-N 442.437 5.493 30 20 IKED Cc1cc(F)ccc1-c1ccc(C=NN2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)o1 734294744 INFYYLWSYMXGNF-UHFFFAOYSA-N 443.390 5.086 30 20 IKED CC(=O)N(c1nc(/C=C2/CCc3nc(-c4ccc(F)cc4)sc3C2=O)cs1)C1CC1 734304893 ZYVZERHQZCSROO-UVTDQMKNSA-N 439.537 5.134 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 737316757 NCXAHDNBDWFZAL-SFHVURJKSA-N 435.823 5.002 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCSc3ccc4c(c3)OCCO4)n2)cc1 739156904 RSFSJQIFWWYTKW-GOSISDBHSA-N 436.558 5.248 30 20 IKED C#CCOc1ccc(C(=O)Nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn2C)cc1 741554510 UHUWVFIZCHOFSH-UHFFFAOYSA-N 433.817 5.024 30 20 IKED N#Cc1cc(NC(=O)c2cc3c(nc2O)CCC3)ccc1Oc1ccc(C(F)(F)F)cc1 742784649 IDQXPILDKDTNPM-UHFFFAOYSA-N 439.393 5.211 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc2ccccc2s1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 744016597 OYGPFPLYZXFHCZ-RIFZZMRRSA-N 435.549 5.375 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccc(Br)s1 744027754 CMGUIGPRFMMDFI-IUODEOHRSA-N 427.323 5.115 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3ccccc3N=Nc3ccc(O)cc3)o2)c1 744550540 IFGWDYJQVHPOSD-UHFFFAOYSA-N 425.404 5.086 30 20 IKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2ccc(Br)cc2F)cc1 744807321 WUVUQTFGJAAVSG-UHFFFAOYSA-N 449.349 5.053 30 20 IKED C[C@@H](Oc1cccc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)c1)C(=O)O 745021540 QROLIAZKRSLFIJ-CJTWTEFWSA-N 449.890 5.340 30 20 IKED C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 746659596 LNCVRPQXVMUNCY-IERDGZPVSA-N 438.358 6.874 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)NCc2ccc(OCC#N)cc2)nc1-c1ccccc1 748632970 URTLRXWZYQDLKP-QFIPXVFZSA-N 444.535 5.414 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(Cc3ccc(F)cc3)CC2)cc1 750689441 HQUMCFNEBBMEBZ-AREMUKBSSA-N 427.523 5.968 30 20 IKED CC(C)(C)OC(=O)N1CCc2c(NC(=O)CCCCOc3cccc(C#N)c3)cccc21 753783017 YJANGMOMTIPSIZ-UHFFFAOYSA-N 435.524 5.044 30 20 IKED CN1C(=O)CCc2cc(C(=O)/C=C\c3csc(COc4ccc(Cl)cc4)n3)ccc21 754690380 TVSOCWIUTUJNMZ-POHAHGRESA-N 438.936 5.181 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)cc1 757830887 VDJFBKPMOWSCSM-QFIPXVFZSA-N 431.536 5.069 30 20 IKED COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5ccc(F)cc5OCC#N)(C4)C2)C3)cc1 760785993 LDKZLCRWAVWNGJ-LEVZQSSMSA-N 434.511 5.213 30 20 IKED CC(C)c1ccc(CSc2nnc(SC[C@H](O)c3ccc(C#N)cc3)s2)cc1 763233926 XRPVIFMGGVVXNK-IBGZPJMESA-N 427.620 5.651 30 20 IKED N#C[C@@H](C(=O)CCCOc1ccc2c(c1)OCO2)c1nc2cc(C(F)(F)F)ccc2s1 766265356 UQHCCHSRXNRFFD-AWEZNQCLSA-N 448.422 5.079 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(N4CCSCC4)c(Cl)c3)CC2)cc1 767860349 STYYXHGAKQVQEF-UHFFFAOYSA-N 438.984 5.086 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 767885302 YPHCKYJKSCXOMJ-FUHWJXTLSA-N 432.549 5.028 30 20 IKED N#CCCn1cc(CN2CCCCC[C@@H]2C[C@H](O)c2ccccc2)c(-c2ccccc2)n1 770289103 BTSQABULLXAHEF-FTJBHMTQSA-N 428.580 5.332 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CC1(CSc2ccccc2)CC1 770837746 ALKLNDMYFGRJJD-QGZVFWFLSA-N 442.968 5.267 30 20 IKED N#CCn1c(CS[C@H](c2ccccc2)c2ccc(Cl)cc2)nc2ccccc2c1=O 775464723 PYXBDHZLKDEDNF-HSZRJFAPSA-N 431.948 5.596 30 20 IKED Cc1cc(C)n(-c2ccc(CN[C@@H](C)c3ccc(OCC#N)cc3)c(C(F)(F)F)c2)n1 776160847 RZLUHOKQKHIAJI-KRWDZBQOSA-N 428.458 5.261 30 20 IKED C[C@H](NC(=O)C(C)(C)[C@H](O)c1ccc(OCc2ccccc2)cc1)c1ccc(C#N)cc1 778576393 JRLBNXKIANIZFW-UQBPGWFLSA-N 428.532 5.074 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3ccccc3O[C@H](C)C#N)cc12 780153492 JPUGLNUWTAOKSZ-CQSZACIVSA-N 434.496 5.137 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)n1 780402805 MOYIYSHBTKHCRA-PZJWPPBQSA-N 433.533 5.110 30 20 IKED CC(=O)Nc1ccc(C(=O)/C=C/c2cnc(-c3ccc(Br)cc3)s2)cc1 781553447 RVUCCBWSTJXKKN-ZHACJKMWSA-N 427.323 5.427 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)O[C@@H](C)C(=O)Nc1cccc(C#N)c1 781719443 GHRYRTNGVWDHAI-LBPRGKRZSA-N 444.274 5.013 30 20 IKED Cc1c(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cccc1N1CCOC1=O 782582333 VBFVRHKJIZWLPH-SFHVURJKSA-N 440.503 5.373 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 784488258 WLSSJZYCKSIHEN-SJLPKXTDSA-N 447.526 5.528 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)C(C)(C)c1ccc(Cl)cc1F 789222599 LUZBFIMFUYTNGW-CQSZACIVSA-N 448.947 5.190 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(F)c(N2CCOC2=O)c1 794109940 VCTNIFOREPGNLX-UHFFFAOYSA-N 433.464 5.057 30 20 IKED CCc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccc(C(C)(C)C#N)cc2)cs1 796040902 UXERPQWDHJGAGH-UHFFFAOYSA-N 447.560 5.548 30 20 IKED CC1(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)CCN(c2ccc(Cl)cc2C#N)CC1 813215223 URZJYNJKQVRHAM-QGZVFWFLSA-N 446.860 5.108 30 20 IKED N#C[C@H](C(=O)CCCCc1ccc(Br)cc1)c1cc(C(F)(F)F)ccn1 813219161 WZKAVCZLNIOYOJ-INIZCTEOSA-N 425.248 5.452 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 915174945 ILBYUDURUJOXBO-UHFFFAOYSA-N 443.894 5.205 30 20 IKED CCC(=O)Nc1ccc(C)c(N=Cc2cc(Br)cc(Br)c2O)c1 915978936 KKEIOPAMRBTESV-UHFFFAOYSA-N 440.135 5.325 30 20 IKED Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1ccccc1N1CCCCC1 916277028 PLCTXMKCMBZDGC-UHFFFAOYSA-N 432.380 5.413 30 20 IKED N#C[C@@H](C(=O)CCSc1ccc(Cl)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 916654448 ZPGHZXLNZFTNOW-HNNXBMFYSA-N 443.981 5.288 30 20 IKED Cc1ccc(C(C)C)cc1OCC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916882844 DAEJAYCKVVMXRT-GOSISDBHSA-N 432.492 5.160 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCCOc2cccc3ccccc23)cc1Cl 916939396 GNMQXIHCZCFLOM-IBGZPJMESA-N 436.895 5.008 30 20 IKED N#C[C@@H](C(=O)CCCCc1ccc(Br)cc1)c1nc2ccccc2n1C(F)F 917044638 UJJQWCUZIWXQLO-INIZCTEOSA-N 446.295 5.783 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c(C)n1[C@H](C)c1ccccc1 917045325 XWTBKPWVOUBXSO-OXQOHEQNSA-N 432.474 5.949 30 20 IKED COc1ccc(-c2cc(N[C@@H](C)C(=O)NC3(C#N)CCCCC3)ccc2OC(F)F)cc1 917174844 IVFIQCCUBSVWSD-INIZCTEOSA-N 443.494 5.107 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cccc(Br)c2)cs1 917557650 FCDXLARIYHBMDB-DHZHZOJOSA-N 441.350 5.795 30 20 IKED Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920140312 BLJYWTHPVQSKBY-DYESRHJHSA-N 429.545 5.757 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cc4nc(C)ccc4o3)cc2)CCC1 1788321078 LUPMGCJMXPYRIZ-UHFFFAOYSA-N 443.547 5.652 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)cc(OC)c3)CCC2)cc1 1791301245 VLXUAPWRYBVUBN-UHFFFAOYSA-N 448.897 5.308 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccncc1-c1cccc(C)c1)C2 1798331382 KGLFTZUDQNHHDF-KIHHCIJBSA-N 443.591 5.077 30 20 IKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C)cc(C)cc2C)[C@H]1c1cccnc1 1803090020 UTTICMWEWAURQW-AHWVRZQESA-N 445.607 5.095 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc(F)ccc2F)CC1 1829071415 PSAXOKZCBANDMM-HSZRJFAPSA-N 446.582 5.119 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 1831479796 FXARMJBGAOXHTO-AYVPJYCDSA-N 428.661 5.425 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)CCC2)=C(/S)Nc1ccc(F)cc1F 11249830 QXCBMOPUYPQVQW-UHFFFAOYSA-O 437.535 5.354 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2C)nc2cc(Cl)ccc2c1=O 16827248 AWFZKTBHMBXJPV-ZDUSSCGKSA-N 448.375 5.317 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(C(F)(F)F)c2)[n+]2cccc(O)c2)cc1 22693545 DNPGFKGALXGAOP-UHFFFAOYSA-O 431.459 5.058 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)nc2ccccc2c1=O 23349149 ZZNAQQUCFUHTGY-MSOLQXFVSA-N 443.572 5.094 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nc2sccc2c1=O 36800066 VBTNGRUBYGTPAP-UHFFFAOYSA-N 433.558 5.042 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1cc(Cl)sc1Cl 71975975 ADOQBKJYGORGRW-UHFFFAOYSA-N 440.333 5.223 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3cccs3)n2)cc1Cl 107648877 JZTVFWZQBWBDQW-LJQANCHMSA-N 449.988 6.362 30 20 IKED Cc1noc(C)c1CSc1ccccc1C(=O)NCCSCc1ccccc1C#N 139640214 TWORQQJPZALEPQ-UHFFFAOYSA-N 437.590 5.119 30 20 IKED Cc1cccc(NC(=O)CN(C)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1C 303672008 PJFIQVWNFAVWOL-UHFFFAOYSA-N 447.922 5.332 30 20 IKED N#CCSc1cccc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2Cl)c1 429918199 DKEULQMFJHVQSX-UHFFFAOYSA-N 437.956 5.193 30 20 IKED COc1ccc(C[C@H](NC(=O)c2cccc(SCC#N)c2)c2ccc(OC)cc2)cc1 429943888 MHLMDNSKBBTGBO-DEOSSOPVSA-N 432.545 5.033 30 20 IKED Cc1sc(NC(=O)c2cccc(SCC#N)c2)nc1-c1ccc(OC(F)F)cc1 429966693 QIAPVHIKGJPOEJ-UHFFFAOYSA-N 431.489 5.588 30 20 IKED N#CCSc1cccc(C(=O)N(CC(F)(F)F)c2ccc(Br)cc2)c1 430599229 FUYYKPQVHQDRCX-UHFFFAOYSA-N 429.261 5.274 30 20 IKED CCCc1c(NC(=O)c2c(-c3cccc(Cl)c3)noc2C)cnn1-c1cccc(C#N)c1 432378535 SAGZPOIRLZVJMS-UHFFFAOYSA-N 445.910 5.566 30 20 IKED CC(C)N1C(=O)N([C@H](CCC#N)c2ccccc2)C(=O)[C@H]1c1ccc(Br)cc1 432389783 WXSJOIXKUUEIEM-WOJBJXKFSA-N 440.341 5.208 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1 432571366 HDWAVKIEENUVGS-MHZLTWQESA-N 437.499 5.319 30 20 IKED C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 439443503 SVUGFVPUSLGXQR-SAIGTISXSA-N 437.515 5.283 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)N[C@H](CCC#N)c2ccccc2)nc1-c1ccccc1 440244957 PLRZNWWLLQUNBS-DHIUTWEWSA-N 442.563 6.357 30 20 IKED CCC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccccc1 441588180 IRRGEZFKSGBWEH-OAQYLSRUSA-N 431.467 5.086 30 20 IKED CCOc1ccc(-n2c(S[C@@H](C)c3cccc(C#N)c3)nnc2-c2cccnc2)cc1 442910342 BHLLFSXKSCFISH-KRWDZBQOSA-N 427.533 5.453 30 20 IKED C[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Br)cc1 444731687 HCYHCHPFORGGRZ-CABCVRRESA-N 432.387 5.133 30 20 IKED Cc1cccc(C)c1NC(=O)Cc1noc(-c2ccc(Sc3ccccc3C#N)cc2)n1 445313494 ANSZTJCIHMZWDY-UHFFFAOYSA-N 440.528 5.558 30 20 IKED Cc1nc(-c2cnn(C)c2)sc1C(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 460333733 IBORKNBLXNHOBW-UHFFFAOYSA-N 447.951 5.224 30 20 IKED Cc1c(CSC(C)C)cccc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 461012709 LTVRWNYOHDHXRY-UHFFFAOYSA-N 446.641 7.053 30 20 IKED C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)[C@H]1c1cccc(F)c1 461811410 LKOHGCQOAFWTEL-PUZWTLIVSA-N 445.542 5.112 30 20 IKED N#Cc1cnc2ccc(Cl)cc2c1N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 462806863 YLTTVACZWYVWRI-OAHLLOKOSA-N 433.874 5.333 30 20 IKED N#Cc1cc(NC(=O)N2CC[C@@H](n3cccn3)C2)ccc1Oc1ccc(C(F)(F)F)cc1 463757446 AYVLVYNUTJWYSZ-GOSISDBHSA-N 441.413 5.045 30 20 IKED N#C[C@H](C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1cc(C(F)(F)F)ccn1 464466523 WYFOZYXTJUZRAC-KRWDZBQOSA-N 443.812 5.496 30 20 IKED CC[C@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1nc(C(F)(F)F)cs1 466661504 QPXBITJXYZYQLZ-ZETCQYMHSA-N 443.335 5.139 30 20 IKED N#Cc1cccc(CCNC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c1 466819905 UGCLYSGXLUHYNL-UHFFFAOYSA-N 439.346 5.215 30 20 IKED O=C(c1cc2ccccc2n1Cc1ccccc1F)N(CCC(F)(F)F)CC(F)(F)F 468543334 NZVDEDFCFDEPNP-UHFFFAOYSA-N 446.366 5.786 30 20 IKED C=CCN(C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)c1nc2c(s1)CCCC2 471135284 BNGVEDOZLQDNMF-UHFFFAOYSA-N 443.370 5.007 30 20 IKED Cc1ccc2nc(-c3ccc(NC(=O)CN(CCC#N)Cc4ccccn4)cc3)sc2c1 471233545 FCPKFEHGZGLNGF-UHFFFAOYSA-N 441.560 5.021 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3-c3nc(C4CC4)no3)o2)cc1 471647520 HMSPBSHUNVOGDV-UHFFFAOYSA-N 444.422 5.049 30 20 IKED C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1ccccc1C(=O)N(C)CCCC 473763305 SMTZTUZULPYNBL-UHFFFAOYSA-N 428.598 5.211 30 20 IKED COc1cc(C)ccc1Oc1ccc(NC(=O)N(CCC#N)Cc2ccccn2)cc1F 473795958 VKLZCLZRBYCHJB-UHFFFAOYSA-N 434.471 5.278 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 480658972 LQFITYDUDXCBCH-MHECFPHRSA-N 429.520 6.044 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2csc(-c3cccc4ccccc34)n2)n1 480907648 CWWXNFWTKIOVDO-INIZCTEOSA-N 433.514 5.087 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 481333260 WXVNITGQQZAZSK-CQSZACIVSA-N 428.376 5.478 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 482403316 UDIVHIVCFBHCBX-SFHVURJKSA-N 441.375 5.578 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nccc4ccccc34)s2)cc1OC 483201036 WJPZMUQHWJIVDC-SFHVURJKSA-N 429.501 5.174 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cnn(-c2ccc(C)cc2)c1CCC 483472848 HKCNAHWDGYNKRR-UHFFFAOYSA-N 434.588 5.521 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)N2CCCC2)cc1Cl 486734454 MMQUJEHRZWKETD-RJGXRXQPSA-N 449.982 5.363 30 20 IKED Cc1nc(NC(=O)c2c(F)c(F)cc(F)c2F)sc1Cc1ccc(F)c(F)c1F 487616005 KOWPSGPYRIKZAL-UHFFFAOYSA-N 434.336 5.268 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccccc1C(=O)OC(C)(C)C 488157390 CPKBFMHGZNAVDI-INIZCTEOSA-N 426.538 5.054 30 20 IKED N#CCc1ccc(NC(=O)c2cccnc2Oc2ccc(F)cc2Br)cc1 493926502 FIIQTCDIPLPDKR-UHFFFAOYSA-N 426.245 5.094 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)[C@H]1OCCc2sccc21 494965706 ZBASJCUJNISKKR-QMHKHESXSA-N 433.533 5.545 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCCC[C@@H]3C(F)F)s2)c(C(F)(F)F)c1 496383510 XDAUETQKAPFMNE-OAHLLOKOSA-N 444.429 5.276 30 20 IKED CN(CC(C)(C)C#N)C(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 497366262 PEPONTJPXMMJLJ-UHFFFAOYSA-N 437.443 5.387 30 20 IKED Cc1cccc(Nc2nnc(SCC(=O)N(CCC#N)c3cccc(C)c3C)s2)c1 501560333 FQNSVAGDJDNPEN-UHFFFAOYSA-N 437.594 5.246 30 20 IKED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1 501829933 NAVWVYFISQHATL-XCLFUZPHSA-N 430.624 5.402 30 20 IKED CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)cc1 503068296 XHLRHRDFYDTCRN-HHHXNRCGSA-N 449.558 5.262 30 20 IKED Cc1cc(NC(=O)c2cn(CCOc3ccccc3Cl)c3ccccc23)nn1CCC#N 504366580 ZOHKBEVCMDCVSC-UHFFFAOYSA-N 447.926 5.045 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(CCC(F)(F)F)cc3)n2)cc1 504559511 AOOBSDAWCFFLFE-SFHVURJKSA-N 430.451 5.804 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@H](c1ccccc1)N(C)C 505609963 KYOZYIDDVBOTAC-KBMIEXCESA-N 429.589 5.272 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)NCc2ccccc2Cl)cc1 507830897 NXSWSCRIENHWEV-INIZCTEOSA-N 435.911 5.129 30 20 IKED C[C@@H](c1ccccc1F)N(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510208171 HQYOYXJQYCHFPF-ZDUSSCGKSA-N 427.530 5.066 30 20 IKED CCSc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 510215412 WOLKUCFSXOTUPD-QGZVFWFLSA-N 445.544 5.278 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)n1 513665237 CFDVXJBDJURYIZ-OAHLLOKOSA-N 426.954 5.363 30 20 IKED C=CCNC(=O)[C@@H](C)Sc1nnc(-c2cc(-c3ccc(C)cc3)nc3ccccc23)o1 514319843 JBNAOVUQGZNHCN-MRXNPFEDSA-N 430.533 5.043 30 20 IKED N#C[C@@H](C(=O)c1ccccc1NC(=O)c1cccs1)c1nc2ccccc2n1C(F)F 515539408 RIWXYDRHPUYTKF-AWEZNQCLSA-N 436.443 5.235 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)cc2)cc1 517655024 PGGCJFHZDQIZFM-QHCPKHFHSA-N 439.540 6.132 30 20 IKED CCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OC 517800783 HXTQMSNEYXLEEL-IBGZPJMESA-N 436.533 5.496 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1cnn(-c2ccccc2)c1 519432882 FMDYJYQUBUEDMN-UHFFFAOYSA-N 430.455 5.078 30 20 IKED N#CCCN(C(=O)CCC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1)c1ccccc1 520246470 MJWXIBZNRVVVHG-RUZDIDTESA-N 437.971 5.415 30 20 IKED CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 520323493 FRXDJASNJIJAHE-UHFFFAOYSA-N 426.398 5.083 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1nc2cc(Cl)ccc2s1 520750851 MHEWBTOVTJTWQS-GFCCVEGCSA-N 447.734 5.932 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 521823756 LODXFYBEQMHMFB-CQSZACIVSA-N 444.482 5.849 30 20 IKED CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 522572124 KBHRKPIXQPSXFR-UHFFFAOYSA-N 434.879 5.047 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccc(F)cc1)CC1CC1 523766448 KBNPSHNXIHTNGJ-UHFFFAOYSA-N 443.522 6.029 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)ccc1OCc1ccccc1Cl 524032292 LMLCITJMYDXJPW-SFHVURJKSA-N 445.906 5.602 30 20 IKED C=CCn1c(SCC(=O)Nc2cccc(C)c2Cl)nnc1-c1ccc(Cl)cc1 525310456 NULUWROKMOEOOP-UHFFFAOYSA-N 433.364 5.477 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC2(CCN(Cc3ccccc3)C2)CC1 535680024 JWJXZQCHJTUVOP-OAQYLSRUSA-N 448.636 5.458 30 20 IKED N#CC1(CCCNc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)CCOCC1 540809291 ANIPSQLYAJDMJD-UHFFFAOYSA-N 431.458 5.470 30 20 IKED COc1ccc2oc([C@@H](C)NCC(=O)Nc3ccccc3S[C@H](C)CC#N)c(C)c2c1 541651491 KYMGVBFJKPKNHE-NVXWUHKLSA-N 437.565 5.433 30 20 IKED C[C@@H]1CC(=O)CC[C@@H]1C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 542153933 KGEMOJPSMUJVCX-NFMODRRSSA-N 449.313 5.449 30 20 IKED C[C@@H](NC(=O)NCc1ccccc1-c1cnn(C)c1)c1ccc(-c2cccc(C#N)c2)cc1 543907778 ZICVWLMIOLFMAF-LJQANCHMSA-N 435.531 5.186 30 20 IKED N#CCc1ccc(Cn2cnc3scc(-c4ccc(Br)cc4)c3c2=O)cc1 544049979 BVYONYCPGJMYMJ-UHFFFAOYSA-N 436.334 5.002 30 20 IKED C=C1CCN(c2nnc([C@H](C)Oc3ccc4ccccc4c3)n2C[C@H]2CCCCO2)CC1 549998637 TZUSPZMDCXLPIP-GBXCKJPGSA-N 432.568 5.297 30 20 IKED C=CCN(C(=O)c1cc(F)cc2cccnc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 551100561 GUMKGBRPYFCXII-UHFFFAOYSA-N 434.452 5.238 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccccc1-c1nc2ccccc2s1 554382221 FVFOKBGFMZWYNJ-UHFFFAOYSA-N 433.533 5.659 30 20 IKED C[C@H](N[C@@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C)c1ccc(C#N)cc1Cl 555232768 MBWYLNXAXIYGJR-KJCSWXPRSA-N 428.407 6.130 30 20 IKED C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCO[C@H](c2cccs2)C1 555240989 HVMGKYXQSDFLOR-KRWDZBQOSA-N 434.487 5.179 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C2CCC(OC[C@@H]3CCCO3)CC2)cc1F 556419026 PQQCDYRIJWTPLB-JITJBCMDSA-N 438.499 5.183 30 20 IKED CC1(C(=O)Nc2cccc(Oc3cccnn3)c2)CCN(c2ccc(Cl)cc2C#N)CC1 557558605 UUFGYTBGDCCZTO-UHFFFAOYSA-N 447.926 5.039 30 20 IKED CC1(C(=O)N2CCc3cc(Cl)ccc3C2)CCN(c2ccc(Cl)cc2C#N)CC1 557643846 IIYSAVCWSLNUSJ-UHFFFAOYSA-N 428.363 5.056 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1 562141027 JXKOXDMMLRHIIG-UBFVSLLYSA-N 439.515 5.387 30 20 IKED C[C@H](NC(=O)NCc1cc(F)c(C(F)(F)F)cc1F)c1nc(C(F)(F)F)cs1 582080621 QIIBNEBKANTMIH-LURJTMIESA-N 433.324 5.019 30 20 IKED CCc1cccc2c(C3CCN(C(=O)Nc4ccccc4S[C@@H](C)CC#N)CC3)c[nH]c12 583757266 KUFNRHOTIXSMNJ-SFHVURJKSA-N 446.620 6.536 30 20 IKED C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C2CC2)o1 583782336 HLDAGKPLJOSVPR-MWTRTKDXSA-N 428.492 5.658 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1F)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 590234680 HGXHIOPXBVZWBP-UHFFFAOYSA-N 435.343 5.113 30 20 IKED COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 592993129 CPIRRQKIDBVGPI-SFHVURJKSA-N 447.343 5.458 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cccc(NC(=O)C2CC2)c1 603532722 NHRYETKSHWMBPU-UHFFFAOYSA-N 427.479 5.201 30 20 IKED CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)c1cccc(C#N)c1 603821210 LPRIDGNMXWPITR-UHFFFAOYSA-N 426.907 5.337 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCCc1nc(-c2ccncc2)cs1 606841078 RVBIGEUHWXHNNI-UHFFFAOYSA-N 447.482 5.151 30 20 IKED N#C[C@@H](C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)c1nc2cc(Cl)ccc2s1 607008991 HYPQDNFWUUDZJW-ZDUSSCGKSA-N 447.829 5.039 30 20 IKED CC(C)Oc1ccc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 608785602 QAYRYZAOTOVGOK-FQEVSTJZSA-N 445.538 5.958 30 20 IKED COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)c1cc2ccccc2n1CC#N 609169306 ABJRMJMQDGMMIX-OAQYLSRUSA-N 437.543 5.447 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC1(c2ccccc2Cl)CCOCC1 609282547 VGLLSFWDJPSCJS-UHFFFAOYSA-N 439.987 5.128 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(COCc2ccccc2)c1 609398086 FSGMVAYYJMJMHZ-HXUWFJFHSA-N 445.588 5.977 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 609399164 CMSPVPZGBLLGRE-OAHLLOKOSA-N 435.018 5.003 30 20 IKED Cc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 609402497 QRXLOQGUQRXUGL-OAHLLOKOSA-N 449.498 5.178 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 609436495 NINYDXXUMUNSQD-QZTJIDSGSA-N 428.627 5.176 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NCc3ccccc3CN3CCCC3)cc2)cc1 609514250 NXZMGLOFPGILCO-UHFFFAOYSA-N 425.532 5.071 30 20 IKED COc1ccc(NC(C)=O)cc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 609723471 WVSJNBJQVYLBAU-UHFFFAOYSA-N 435.867 5.223 30 20 IKED CCNC(=O)Nc1cccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 609730704 JVOQDERYMCRDJL-UHFFFAOYSA-N 434.883 5.398 30 20 IKED CC(C)(C(N)=O)c1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 610050317 GKEWUVORANUWPW-UHFFFAOYSA-N 433.895 5.019 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1C 610054177 YKBFTTWTQYEYJT-UHFFFAOYSA-N 447.498 5.472 30 20 IKED CSc1ccc(O[C@@H](C)C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 610130181 XCWOLGMVQOFLQU-UUOWRZLLSA-N 432.545 5.136 30 20 IKED Cc1cc(-c2cc(C(=O)N[C@@H](C)c3cccc(C#N)c3)c3cnn(C(C)C)c3n2)c(C)o1 610360933 LAABXGFYEUVIEX-INIZCTEOSA-N 427.508 5.252 30 20 IKED FC(F)(F)Oc1ccc(OCCN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 610409720 YWBJICLCJMNDBF-QWRGUYRKSA-N 425.291 5.027 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccc2nc(O)[nH]c2c1 611183324 UYVGMXWISVLNTG-CYBMUJFWSA-N 432.867 5.077 30 20 IKED N#Cc1cccc(CN2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c1F 611371725 KWSPHMINJZIQOP-DEOSSOPVSA-N 434.559 5.386 30 20 IKED CCCCN1C(=O)c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cc2C1=O 612894699 IGXAJIPXMJPDRB-FQEVSTJZSA-N 443.528 5.005 30 20 IKED COc1cc(OC)cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 613347030 VLRNMMMBITYDBM-INIZCTEOSA-N 433.316 5.624 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1cc2ccccc2n1CC#N 613383377 HKVNCIOZLVDEGM-UHFFFAOYSA-N 442.906 5.631 30 20 IKED Cc1c(CNC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)oc2ccc(F)cc12 620089965 AUQLAGZSMNSGEE-QWRGUYRKSA-N 440.359 5.589 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc1 622925290 JLADIFFLZJICPR-ILBGXUMGSA-N 447.579 5.132 30 20 IKED N#C[C@H](C(=O)c1ccc(Br)o1)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281699 PFRPBSYPRBHZSK-SNVBAGLBSA-N 442.121 5.962 30 20 IKED C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@H](c2ccco2)C1 670201025 LTFWKBSFTWPFRL-QHCPKHFHSA-N 436.556 5.036 30 20 IKED Cc1nnc(-c2ccc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2)o1 680452123 TVRLWSXFZAOTKF-AWEZNQCLSA-N 428.395 5.164 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)nc3c2cnn3[C@@H](C)CC)cc1 726319942 QJOBCVYMRXVJDL-LAUBAEHRSA-N 431.540 5.015 30 20 IKED C[C@H](Oc1ccccc1C(F)(F)F)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 727232451 KSWINUJCHJFTKL-BBRMVZONSA-N 441.434 5.344 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=S)Nc3ccc(SC(F)F)cc3)c2)cc1 729159674 BZRQYDOFVWKNSG-UHFFFAOYSA-N 427.501 6.474 30 20 IKED N#C[C@@H](C(=O)COc1ccc(OCc2ccccc2)cc1)c1nc2cc(F)ccc2s1 730417256 LUNCAZHPYXLKMV-FQEVSTJZSA-N 432.476 5.270 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCCSc2ccc(Br)cc2)cc1 731136427 QKWJLZQBHBPVEN-IBGZPJMESA-N 445.382 5.231 30 20 IKED Cc1cc(C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)c(C)n1[C@H](C)c1ccccc1 731196414 CZIHJZXOODBQRR-ZHRRBRCNSA-N 441.453 5.608 30 20 IKED C=CCc1ccc(OC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c(OC)c1 732633984 QZKRNMGRBURTQC-OAQYLSRUSA-N 429.516 5.035 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=S)Nc2ccc(Oc3ccccc3)cc2)ccc1OC 733209462 TXEQAAROPNZOAO-HXUWFJFHSA-N 447.560 5.655 30 20 IKED Cc1nccn1-c1ncccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 735037161 HORIBOZSHAVWPS-UHFFFAOYSA-N 429.867 5.145 30 20 IKED COC(=O)[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccc(C#N)cc1 741737119 PGVWWMUJDUGUJA-QFIPXVFZSA-N 440.528 5.121 30 20 IKED O=C(/C=C\c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(S(=O)(=O)CC(F)F)cc1 741853276 ZOZLTQHCJKPPKI-WAPJZHGLSA-N 438.801 5.294 30 20 IKED O=C(O)COc1ccc(/C=C/C(=O)c2cc3cc(Cl)ccc3o2)cc1Br 742431608 LEWLBWWUBYNKQG-DAFODLJHSA-N 435.657 5.208 30 20 IKED Cc1ccc(-c2ccc(C(=O)OCc3nnc(-c4cccc(C#N)c4)o3)c(F)c2)cc1C 744980036 CIWONLGVWZZOML-UHFFFAOYSA-N 427.435 5.388 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)c1 745819581 BNPOIVFLAFDLEJ-HXUWFJFHSA-N 445.485 5.307 30 20 IKED C=CC[C@@H](NC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)c1ccncc1 746270019 QKRHPKQSDALGQT-RUZDIDTESA-N 432.523 6.376 30 20 IKED Fc1ccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)cc1Cl 755620439 YKPJPAGMJJRYOJ-UHFFFAOYSA-N 431.707 5.127 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CCc3c(Cl)cccc3C2=O)cs1 758038366 CZTPNDCIUPVVCR-SDNWHVSQSA-N 426.900 5.833 30 20 IKED CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)C1 759220195 BZJZAPOHOOJLSA-DZGCQCFKSA-N 433.961 5.163 30 20 IKED N#CCOc1cccc(CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)c1 760404387 TYFXAEJWPBTJLU-HSZRJFAPSA-N 425.315 5.344 30 20 IKED C[C@@H](CC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1ccc(Br)cc1 769943854 BMGCFRATFWEKAJ-WFASDCNBSA-N 432.268 5.564 30 20 IKED N#C[C@@H](C(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2ccccc2n1 780302115 LWOBBOHSVCIJFK-MRXNPFEDSA-N 438.327 5.528 30 20 IKED CC(C)(C(=O)N[C@H]1CCc2cc(C#N)ccc21)[C@@H](O)c1ccc(OCc2ccccc2)cc1 787843106 JIOYZXGKDAOLBV-UIOOFZCWSA-N 440.543 5.001 30 20 IKED Cc1csc([C@@H](C#N)C(=O)COC(=O)C2(Cc3cccc(Cl)c3)CCCCC2)n1 805705811 WFMRRGRBTZQRFH-SFHVURJKSA-N 430.957 5.018 30 20 IKED CCCCCCCCc1nnc(NC(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)s1 808811214 PWSXZDWQIMGADE-KRWDZBQOSA-N 446.621 5.851 30 20 IKED COCC[C@](C)(C#N)NC(=O)c1cc(-c2ccc3cc(OC)ccc3c2)nc2ccccc12 809012465 JLXAGUIZHCDFTM-HHHXNRCGSA-N 439.515 5.112 30 20 IKED COc1ccccc1N=C1SCCN1C(=O)CSc1cccc(C(F)(F)F)c1 873707495 DGTGXDZALQWUDL-UHFFFAOYSA-N 426.485 5.069 30 20 IKED CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)NCc2ccc(C#N)cc2)ccc1Cl 916697985 CZJHIAYLRISVDG-UHFFFAOYSA-N 446.938 5.196 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(C2SCCS2)cc1 916901545 KKSJLSJXAZNXRO-HNNXBMFYSA-N 446.981 5.097 30 20 IKED N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccc(-c2ccccc2)cc1)[n+]1ccccc1 917613104 KMFFKZHYBJTHDQ-UHFFFAOYSA-O 434.544 5.836 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc4nc(Cl)ccc4c3)s2)cc1 918320869 FWIKFGVXKZPEME-UHFFFAOYSA-N 437.937 5.156 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(N3CCCC3)c(F)c2)cc1 918349727 PKFVYUZVOMVEMQ-UHFFFAOYSA-N 431.536 5.842 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 920102612 XLHQONXJKZKISE-GOSISDBHSA-N 427.508 5.131 30 20 IKED N#C[C@H](C(=O)COc1c(Cl)cccc1Cl)c1nc(-c2c(F)cccc2F)cs1 920805659 FBIFHRLUONEGAO-SNVBAGLBSA-N 439.270 5.650 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc2nc(O)oc2c1 1301770192 KTADVYBGGJZLKM-OAHLLOKOSA-N 429.501 5.188 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5cccc(Cl)c45)CCC3)cc2)C1 1785807928 VVDGDTSTBWOZDM-UHFFFAOYSA-N 433.939 5.535 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3nc4ccccc4o3)CCC2)cc1 1786103048 LJSNCFRRARHIAM-UHFFFAOYSA-N 429.520 5.344 30 20 IKED C[C@@H]1CCC[C@H]1C(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788650499 DLTVRQUVVBFPTR-NGRMBUTOSA-N 436.577 5.057 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(O)cc4)CCC3)cc2)c1 1792124622 AVZFAVCAMAEEGB-GOSISDBHSA-N 439.515 5.081 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](CCC)n2cccc2)[nH]n1 1814829767 STHGTVDRCGFQJM-VXKWHMMOSA-N 437.588 5.013 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3occ(Cl)c3c2)n[nH]1 1820232031 HOFKYLZAUMFWTH-AUUYWEPGSA-N 440.931 5.327 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccccc2Cl)CC1 1826473843 UAQMHDCKYJYNPE-UPVQGACJSA-N 443.031 5.271 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)c(F)c2)CC1 1829968637 IPJCAUBIEQHHDU-UPVQGACJSA-N 426.576 5.136 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC)cc2C)CC1 1830115427 MOBQCBXFUJGFMK-VWLOTQADSA-N 438.612 5.005 30 20 IKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC2CCC(C)(C)CC2)CC1 1830417105 QXDRZBNTUDUPIG-NZQKXSOJSA-N 447.664 5.014 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncccc2-c2ccccc2)CC1 1831369169 CDLVJQAWWAFKOS-OFVILXPXSA-N 445.607 5.194 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC 20053213 AUDKPMOWPRSSPD-UHFFFAOYSA-N 445.013 5.627 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2cccc(O)c2)s1 22695282 ZDEMQJVBEGNTQB-UHFFFAOYSA-O 438.381 5.407 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(C)c(F)c2)cc1 22732131 BYCNWNVLWCLGOT-UHFFFAOYSA-O 443.514 5.703 30 20 IKED C[C@@H](OC(=O)CCc1ccc(C#N)cc1)C(=O)N1c2ccccc2Sc2ccccc21 28496489 YDCYDTGZZKLQSS-QGZVFWFLSA-N 428.513 5.252 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2occc2COc2ccccc2)cc1Cl 46861622 RKPDXNVZADXXFW-QHCPKHFHSA-N 442.902 6.420 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2Br)cc1Cl 46861780 STGDRGWAQWHATK-SFHVURJKSA-N 443.703 6.149 30 20 IKED Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)N(CCC#N)CCC#N)cc12 60620553 DWNFMESBYOWBSJ-UHFFFAOYSA-N 446.363 5.031 30 20 IKED C=CCOc1ccc(C(=O)Nc2nc(-c3ccccc3OC(F)F)cs2)cc1OC 110778696 HYCVEIKSZCHIHX-UHFFFAOYSA-N 432.448 5.237 30 20 IKED CCOCCCn1c(S[C@@H](C)c2ccc(C#N)cc2)nc2cc(Cl)ccc2c1=O 303734625 WLQOWZQLHUZANC-HNNXBMFYSA-N 427.957 5.201 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C[C@H](c2ccccc2)O1 409772166 MKSHHLFNQCMPIG-FMNCTDSISA-N 445.950 5.989 30 20 IKED C[C@H](NC(=O)N[C@H](C)c1nc(C(F)(F)F)cs1)c1ccc(-c2cccc(C#N)c2)cc1 426212455 YYYSSSCLHNSQBJ-UONOGXRCSA-N 444.482 5.822 30 20 IKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)Nc1cccc(C#N)c1C)CC2 431948503 FLMNXXALBFBUBN-HSZRJFAPSA-N 433.533 5.125 30 20 IKED C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438665811 NRHWXBYMHDKJJV-AWEZNQCLSA-N 425.410 5.993 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 439504348 URSMHXRSGLAENL-INIZCTEOSA-N 431.964 6.084 30 20 IKED CCCc1c(NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)cnn1-c1cccc(C#N)c1 440070920 ASGUPBPAFPYEHO-UHFFFAOYSA-N 445.910 5.186 30 20 IKED Cc1ccc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)c(OC[C@H]2CCOC2)c1 447054971 CKVAJYSHBAVTNL-MOPGFXCFSA-N 439.581 5.126 30 20 IKED Cc1ccccc1Sc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1 448319593 ROARGILSNLSEMV-FQEVSTJZSA-N 427.554 6.155 30 20 IKED C[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)Oc1ccccc1Cl 461362228 GRYROJGBUHDKTK-KRWDZBQOSA-N 436.964 5.701 30 20 IKED N#C[C@H](C(=O)c1cccc(-n2nccc2-c2ccccc2)c1)c1cc(C(F)(F)F)ccn1 464404200 WFEQYIIYLRITJR-FQEVSTJZSA-N 432.405 5.443 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1cccc(NC(=O)c2ccccc2)c1 467800453 YSKCSDOULDILIY-SFHVURJKSA-N 445.544 5.351 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccnc(Oc2ccc(F)cc2F)c1 469176839 GMYDULIMLNOEQK-AWEZNQCLSA-N 425.460 5.656 30 20 IKED C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)[C@H]1c1cccc(F)c1 470534061 XTCUHHZCJZZXDS-MZNJEOGPSA-N 434.515 5.024 30 20 IKED CCCN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@H](c1cccnc1)c1ccc(F)cc1F 475762934 OMZHGTVAYUDWKZ-FQRUVTKNSA-N 433.502 5.775 30 20 IKED CC(C)(C#N)c1ccc(C(=O)Nc2cccc(CNC(=O)Nc3ccccc3Cl)c2)cc1 476220128 RQEHHBXZUYNQSH-UHFFFAOYSA-N 446.938 5.715 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(CN2CCCC[C@@H]2C)cc1 478877048 UDRWSAIAJBNWRD-QFIPXVFZSA-N 437.632 5.126 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 480576849 HXVSRYLJROLWJF-HHHXNRCGSA-N 425.019 5.669 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@H](CC(C)C)c2cccs2)nnc1-c1ccco1 480633384 FBLJXCIFFSDKAB-MRXNPFEDSA-N 430.599 5.171 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3cccc(O)c3)C2)cc1Cl 483043526 AZRLMIHUZTVAKY-ISKFKSNPSA-N 447.922 5.306 30 20 IKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[C@H](C#N)c3cnc4ccccc4n3)cc12 483208208 HKYDVVUJPXPKBH-OAHLLOKOSA-N 443.919 5.482 30 20 IKED Cc1cc(C)c(-c2nnc(S[C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)o2)c(C)c1 483266454 HKMNDKJZTBUKHO-NABQHUIHSA-N 426.586 5.073 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@H]3CCO[C@H]3c3ccccc3)cc2F)c1 489865026 WMKWMTKQPSUONW-BWKNWUBXSA-N 445.494 5.176 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2cccc(N3CCCC3=O)c2)cc1Cl 494333262 RVWBNQBEINRIQD-QHCPKHFHSA-N 443.934 5.303 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 499723856 GBTSYALNOYBOOB-QHCPKHFHSA-N 437.975 5.390 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 499891036 BHDKMLWSQHWTQZ-HNAYVOBHSA-N 447.507 5.145 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)cc1 505622852 QWBXNFMHNRCAMI-UHFFFAOYSA-N 443.503 5.403 30 20 IKED N#C[C@H](NC(=O)c1ccccc1CSc1nc2ccccc2o1)c1ccc(Cl)cc1 505808864 JQIVNHFBRQKLMH-FQEVSTJZSA-N 433.920 5.768 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2C(=O)c2ccc(C)cc2)cc1 508162953 XFGOANIOOQKMJM-UHFFFAOYSA-N 438.527 5.293 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCCOc3ccccc32)cc1 508289974 QMNNIFYCYGDWEN-OAQYLSRUSA-N 429.476 5.395 30 20 IKED N#Cc1cc(NC(=O)N2CCC(Cc3ccc(F)cc3)CC2)ccc1OCC(F)(F)F 508355211 AGYPWGZFQCMBDU-UHFFFAOYSA-N 435.421 5.125 30 20 IKED Cc1ccc(NC(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)cc1C(F)(F)F 508799531 ARIMXCVXIHDRIP-UHFFFAOYSA-N 432.299 5.005 30 20 IKED C=CCn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CCC(c2ncccc2Cl)CC1 508992426 AFBGFQAKKRHLSO-NZQKXSOJSA-N 449.986 5.142 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccc(F)cc1)C(C)C 509997353 IZHUDLRMEGUSKT-UHFFFAOYSA-N 431.511 6.027 30 20 IKED C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510023317 KBBMKASURQITMG-MGPUTAFESA-N 439.893 6.499 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 510545416 KUMDNOYRXNCJJR-CQSZACIVSA-N 427.382 5.170 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 510679582 IJNNOKQLHIMVSG-MRXNPFEDSA-N 446.482 5.231 30 20 IKED Cc1ccc(OCc2cccc(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)c2)cn1 511150422 NYSLHWUEPRJRSY-FQEVSTJZSA-N 426.303 5.271 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 511325351 ZAPLPCSKTVMUIJ-SANMLTNESA-N 441.531 5.709 30 20 IKED CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1C(C)C 511488114 DWKXHAJTIBOLQK-UHFFFAOYSA-N 433.483 5.491 30 20 IKED O=C(Nc1ccccc1CC(F)(F)F)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 512827430 MKQMAISRSKBECE-AWEZNQCLSA-N 442.306 5.818 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1ccc(F)c(Br)c1 515650719 LPMPCHSUZUXLJF-UHFFFAOYSA-N 440.272 5.137 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCCNC(=O)c3ccsc3)cc2Cl)cc1 515715042 CESRGTIZQVGCFR-UHFFFAOYSA-N 439.924 5.214 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N2CCC(Oc3ccc(C(C)C)cc3)CC2)c1C#N 516507494 XJFCCFMSIQMFMK-UHFFFAOYSA-N 435.593 5.360 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCC1(c2ccc(OCC)cc2)CCOCC1 517737826 LALQQDQAJVQVGD-UHFFFAOYSA-N 449.016 5.246 30 20 IKED N#Cc1ccc(S(=O)(=O)Nc2cccc(COC3CCCCC3)c2)c(C(F)(F)F)c1 519122237 NJWAYEBVKAIVBC-UHFFFAOYSA-N 438.471 5.227 30 20 IKED CCS(=O)(=O)c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 519397201 VBWKOEZUKDTXBU-NRFANRHFSA-N 438.936 5.041 30 20 IKED C[C@H]1C[C@@H](c2ccccc2)N(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 519753184 GNCWAJYUQNGIGH-FNZWTVRRSA-N 425.532 5.947 30 20 IKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(F)cc1 519989533 YCTJNIUVWJAXRK-QHCPKHFHSA-N 441.466 5.134 30 20 IKED CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 521092873 GFGCCVWJYLAJMM-UHFFFAOYSA-N 429.476 5.504 30 20 IKED CC(C)(CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cccc(Cl)c1 521813126 WLUDLNZJXBDLQH-UHFFFAOYSA-N 447.922 5.036 30 20 IKED C[C@H](c1cccs1)N(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1 533252794 GUOVOUKQUWOVEN-LJQANCHMSA-N 441.560 5.007 30 20 IKED N#C[C@H](C(=O)c1cc(Br)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cn1 533717528 CFLMFSMYANQELT-LBPRGKRZSA-N 437.137 5.372 30 20 IKED CC(C)c1cc(Br)ccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 534071979 HIYNRDNHZXQXDO-UHFFFAOYSA-N 442.357 5.238 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(Br)cc4cccnc34)s2)cc1 535349309 GUJPVEIGQLPYNW-UHFFFAOYSA-N 449.333 5.169 30 20 IKED N#CCc1ccc(C(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)cc1 535396969 TTZUZLOZKFJNNA-UHFFFAOYSA-N 428.467 5.129 30 20 IKED CC1(C)CN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)Cc2ccccc21 535492009 RTHSOIURMNCLBA-UHFFFAOYSA-N 435.578 5.027 30 20 IKED N#CCN1CCC(CNC(=O)c2cc(Cl)ccc2Sc2ccc(Cl)cc2)CC1 537151179 RHUKRQRDLFXCDJ-UHFFFAOYSA-N 434.392 5.110 30 20 IKED N#CC1(CCCNc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)CCOCC1 539710494 WAXIGWADNWODKI-UHFFFAOYSA-N 431.458 5.470 30 20 IKED Cc1cc(Cl)cc(C)c1Oc1ccc(Cl)cc1NC(=O)[C@@H](C)n1cnc(C#N)n1 540602984 PHDHHSIQWUNZLU-CYBMUJFWSA-N 430.295 5.065 30 20 IKED Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 542419442 FOKLFEGOODJPBL-UHFFFAOYSA-N 425.492 5.115 30 20 IKED N#C[C@H](NC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1)c1c(Cl)cccc1Cl 543279679 SWPVMSNGYHKNHV-KXBFYZLASA-N 431.367 5.181 30 20 IKED N#Cc1ccc(OCc2ccc(-c3nc(Cc4nc5ccccc5n4C(F)F)no3)o2)cc1 545619947 KVALAXTVJBMFIV-UHFFFAOYSA-N 447.401 5.116 30 20 IKED N#CCC[C@H](C#N)CNC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 548950083 JZONZQUWDLCSTH-FOIQADDNSA-N 433.408 5.187 30 20 IKED N#Cc1cc(C(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cnc1C(F)(F)F 550471691 UHSPUJRZPWUBOL-MRXNPFEDSA-N 427.348 5.358 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC(F)(c2cccnc2)CC1)c1ccc(C(F)(F)F)cc1 551294782 LRIZCZQKXUDYRN-HXUWFJFHSA-N 435.465 5.778 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(CCC#N)c1ccc(F)cc1 554286896 VRNOBHHUQNKMRH-HNNXBMFYSA-N 443.931 5.703 30 20 IKED CCC(C)(C)[C@@H]1CCc2nc(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)sc2C1 554553404 FJBNCQBAGYMRIS-QGZVFWFLSA-N 437.613 5.168 30 20 IKED N#CCCOCCSc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1 554969566 RFHDPFLVCCQYLT-UHFFFAOYSA-N 435.391 5.235 30 20 IKED CC1(C(=O)N[C@@H]2CCOc3c(Cl)cccc32)CCN(c2ccc(Cl)cc2C#N)CC1 561080632 MDYGXHJAYIUZNM-LJQANCHMSA-N 444.362 5.112 30 20 IKED COc1ccc([C@@H](Cc2ccccc2)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 577028241 AOPXCSDIXPYIBC-AREMUKBSSA-N 439.559 5.674 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)CCc3ncc(-c4ccccc4Cl)o3)c2C#N)C1 590612539 DABLSVPZUMWSJT-CYBMUJFWSA-N 425.941 5.624 30 20 IKED N#Cc1cccc(CSc2nccn2-c2ccc(C(=O)NCc3cccs3)cc2)c1 603725927 LVUVBGQARUMSEJ-UHFFFAOYSA-N 430.558 5.028 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(Oc4ccccc4)nc3)s2)cc1 603750439 NKDGDXRQIOGDCK-UHFFFAOYSA-N 445.529 5.142 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)cc1 603754853 DTMIFNVTXJQXIV-UHFFFAOYSA-N 439.309 5.675 30 20 IKED CCCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1OC 603765001 RDVZMVQIMPHRDZ-UHFFFAOYSA-N 437.883 5.449 30 20 IKED CN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H]1CCCc2ccccc21 603831103 BHWQTUFBXARMCP-AREMUKBSSA-N 425.532 5.873 30 20 IKED CC(C)C[C@@H](C#N)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 608822905 NTGMFWNNGPQUII-FSEPTYSPSA-N 434.521 5.190 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(NC(=O)C4CC4)cc3)cc2Cl)c1 609062933 KYYYCKAMFAWJSV-UHFFFAOYSA-N 445.906 5.391 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C 609078614 CQTSZUURYVHZFR-VWLOTQADSA-N 446.526 5.009 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2cccc(F)c2)cc1C 609079889 NEAKISSLGDZLNF-UHFFFAOYSA-N 431.511 6.029 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@@H](Nc4ccccc4)C3)c2)cc1 609206109 DJOYPCVHOSYXHY-XMMPIXPASA-N 426.520 5.050 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1ccc(OC(F)F)cc1 609391079 MTMNMACOCUDFMK-HUUCEWRRSA-N 436.549 6.115 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)CCCCOc2ccc(Br)cc2)c1 609407728 KHUVZXAOTKXBKM-UHFFFAOYSA-N 439.256 5.110 30 20 IKED N#Cc1ccccc1COc1cccc(CNCc2ccc(Br)c(F)c2)c1 609433186 FMWFTCZIVYUECY-UHFFFAOYSA-N 425.301 5.329 30 20 IKED COc1ccc(CCC(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1Br 609463556 IOXINZJNXOHMMY-MRXNPFEDSA-N 442.140 5.078 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC[C@H]3CCN(c4ccc(F)c(F)c4)C3)cc2)cc1 609516154 GRYNZJPENBYYEE-LJQANCHMSA-N 447.485 5.079 30 20 IKED N#Cc1ccc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1C(F)(F)F 610331207 DUIUETICQIAKNH-NXEZZACHSA-N 433.274 5.172 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc(-c4ccccn4)ccc3Cl)cn2)cc1 611109088 RHDBWNRYFMLVIF-UHFFFAOYSA-N 426.863 5.713 30 20 IKED Cc1nc(Cc2ccccc2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 613320014 RZGCLZCNZHCVRB-GOSISDBHSA-N 449.988 6.309 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C1CCC(NC(=O)C(C)(C)C)CC1 619114301 NOABNDLJKQCKAB-UHFFFAOYSA-N 449.570 5.260 30 20 IKED Fc1ccccc1-c1nnc2ccc(NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)nn12 619535826 JSUNOFGVUFZILL-GHMZBOCLSA-N 447.358 5.252 30 20 IKED Cc1cc(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C)n1CC(F)(F)F 642175263 BJUSTOYNUHPTSC-GDNZZTSVSA-N 438.334 5.307 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)nnc1-c1ccoc1C 643092518 VQZJZHSDXXBALF-CQSZACIVSA-N 425.489 5.383 30 20 IKED Cc1sc(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1-c1ccc(F)cc1 674784535 MOZCQLHRIIOHSJ-BETUJISGSA-N 439.396 6.066 30 20 IKED C=CCn1c(SCc2nnc(CC)s2)nc2sc(-c3ccccc3)c(C)c2c1=O 680023710 SGILIQSARNUACS-UHFFFAOYSA-N 440.619 5.326 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1c(Cl)cc(F)cc1Cl 683304491 RMRCUBVILLFOQN-RNFRBKRXSA-N 426.159 5.772 30 20 IKED COc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1NC(C)=O 726429883 WKXCFGJOGICASW-FYWRMAATSA-N 437.499 5.402 30 20 IKED COc1cc(CNC(=S)Nc2ccc(C#N)c(Cl)c2)ccc1OCc1ccccc1 726447649 SGIMLDDWMUSSSV-UHFFFAOYSA-N 437.952 5.286 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)cc1 727735611 DDUMLGQRZXDKKY-UHFFFAOYSA-N 440.478 5.775 30 20 IKED Cc1cc(C(=O)Nc2cccc(OCc3cscn3)c2)c(C)n1-c1ccc(C#N)cc1 728275154 ZRBSPNKXJDSTPT-UHFFFAOYSA-N 428.517 5.254 30 20 IKED Cc1ccc(C(C)C)c(Oc2ccc(CNCc3ccc(OCC#N)cc3)cc2[N+](=O)[O-])c1 729685335 JQSBFMXLNUBAJB-UHFFFAOYSA-N 445.519 6.011 30 20 IKED C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 730422131 UMQQTHNDFNWYDR-OXJNMPFZSA-N 430.504 5.670 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(CN4CCCCC4=O)cc3)cc2)c1 731331568 JSUHTHUWRPXDCO-UHFFFAOYSA-N 425.488 5.115 30 20 IKED FC(F)Oc1cccc(Cl)c1C=Nn1cnnc1SCc1ccc(Cl)cc1 732923438 BFFXBCUEVVFHDO-UHFFFAOYSA-N 429.279 5.361 30 20 IKED N#CCOc1ccc(COC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)cc1 733483657 UOYYSKGNGHTFMD-UHFFFAOYSA-N 443.434 5.166 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)c2)cc1 734316977 WHBOXMUXFVCFNP-UHFFFAOYSA-N 445.906 5.170 30 20 IKED CCN(CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C(=O)OC(C)(C)C 734318388 DNXZKFSNRSCDPZ-IBGZPJMESA-N 427.932 5.191 30 20 IKED C=CC[C@@H](NC(=O)N[C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21)c1ccncc1 734669362 UXSRYHMQMWHXND-CTNGQTDRSA-N 434.565 5.208 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 735369337 XPQVQWLXGMDYAA-FQEVSTJZSA-N 446.463 5.390 30 20 IKED Cc1cc(C(=O)COC(=O)C2(C#N)CCC2)c(C)n1C(c1ccccc1)c1ccccc1 736842031 RGXSBVBTHYBOGN-UHFFFAOYSA-N 426.516 5.162 30 20 IKED Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740445455 YEYDVEDEDCDFDQ-UHFFFAOYSA-N 444.560 5.153 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)CSc1ncnc2scc(-c3ccccc3)c12 741639718 NWYKNWKVXKRHBW-UHFFFAOYSA-N 449.532 5.240 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1 742593881 WMDCLKFXRDQDNB-UHFFFAOYSA-N 425.485 5.079 30 20 IKED CCCCOc1ccc(C=NO[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1OC 744442633 DJYIIXOZOQSPOD-MRXNPFEDSA-N 427.476 5.483 30 20 IKED C[C@@H](ON=Cc1c(Cl)nc2ccccn12)c1nc(-c2cccc(C(F)(F)F)c2)no1 744443452 YIBJIBPALRXMMV-LLVKDONJSA-N 435.793 5.168 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 748003554 CIOWJPNWLURUHY-IFXJQAMLSA-N 448.504 5.193 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(NC(C)=O)c(C)c1 749333151 UGRNPLSQDLBQNB-UHFFFAOYSA-N 434.309 5.075 30 20 IKED Cc1cc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)c(C)n1[C@@H](C)c1ccccc1 749613393 UZBAYDXAFRMURG-AOMKIAJQSA-N 436.353 5.471 30 20 IKED COc1cc(C2(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CCC2)ccc1C 750399125 ZCPMDDMQVFTXFI-INIZCTEOSA-N 444.478 5.930 30 20 IKED COc1ccccc1OCc1ccc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)o1 752376138 KWTXXISAVWNSJM-UHFFFAOYSA-N 431.473 5.115 30 20 IKED CC(C)(C)OC(=O)N1CCc2c(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cccc21 753899728 RQTLQJUIYHAIIZ-REWPJTCUSA-N 446.551 5.288 30 20 IKED N#C[C@H](C(=O)CCc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 756232680 VRZDHEZESZDARF-MRXNPFEDSA-N 446.315 5.834 30 20 IKED COc1cccc(COc2cccc(Cl)c2C=NNc2nc(O)c3ccccc3n2)c1 757591033 UIKZCWMFLUUXNR-UHFFFAOYSA-N 434.883 5.022 30 20 IKED N#Cc1ccc(F)c(CNC(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)c1 758812307 KHYIJVVXZSMENJ-UHFFFAOYSA-N 442.416 5.023 30 20 IKED N#CCOc1cccc(CC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)c1 760267684 JDXWXUWBMSAKCV-UHFFFAOYSA-N 432.332 5.124 30 20 IKED N#C[C@H](C(=O)CCCn1ccc2cc(Cl)ccc21)c1nc2ccccc2n1C(F)F 760968054 HOAILQKBWZDYIS-MRXNPFEDSA-N 426.854 5.696 30 20 IKED CCc1cccc[n+]1/C(C(=S)Nc1cccc(Cl)c1C)=C(/O)c1ccc(C#N)cc1 762440496 YDXIQGRBWCVYJY-UHFFFAOYSA-O 434.972 5.693 30 20 IKED Cc1cc(C)c(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cccc(C)c2)c(Cl)c1 762444705 DUXGRJYDCPGWFJ-UHFFFAOYSA-O 434.972 5.748 30 20 IKED COc1ccc2c(c1)[C@@H](C(=O)[C@H](C#N)c1nc(-c3ccc(Cl)cc3Cl)cs1)CC2 763944155 NSXRKTBYNDUBTF-YJBOKZPZSA-N 443.355 6.032 30 20 IKED N#C[C@@H](C(=O)Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(F)ccc2s1 766352455 ZZCHMBWSKZLBIL-AWEZNQCLSA-N 428.286 5.098 30 20 IKED C=CCn1c(SCc2ccc(SC(=O)N(C)C)cc2)nnc1-c1cccc(OC)c1 768412100 STXOKPFESWGZNJ-UHFFFAOYSA-N 440.594 5.206 30 20 IKED COc1cccc([C@H](C#N)NC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)c1OC 772688575 QWPSBNZBRGHODL-QFIPXVFZSA-N 443.507 5.180 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CC=C(c4ccc(Cl)nc4)CC3)cc2)c1 774038038 WIOQLWFTGLFSBX-UHFFFAOYSA-N 430.895 5.720 30 20 IKED N#CCCCn1cc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c2ccccc21 774167492 DKFHZRKSNMOYNZ-UHFFFAOYSA-N 442.306 5.273 30 20 IKED CC(C)N1C(=O)C[C@H](C(=O)[C@H](C#N)c2ccc3ccccc3n2)[C@@H]1c1ccc(Cl)c(F)c1 776506567 JTWYNYSNIQODDD-RHGYRFJNSA-N 449.913 5.202 30 20 IKED CC[C@H](C)n1c(SCC(=O)OCc2ccc(C3(C#N)CC3)cc2)nnc1-c1ccccc1 777147003 BDCLQYPDCGSUFY-SFHVURJKSA-N 446.576 5.307 30 20 IKED CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 777295335 DSMNPYVEAWZIQY-HXOBKFHXSA-N 427.570 5.378 30 20 IKED Cc1cc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)nn1-c1ccc(Cl)c(Cl)c1 777484710 OQKOSXZXZWGLIF-UHFFFAOYSA-N 440.117 5.918 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 780561275 XBRFWBLGVHTXHQ-INIZCTEOSA-N 436.512 5.309 30 20 IKED O=C1/C(=C\c2scnc2C2CC2)CN(c2ccccn2)C/C1=C/c1scnc1C1CC1 782325942 ALNRRQDHFXXPPS-XFQWXJFMSA-N 446.601 5.306 30 20 IKED C[C@@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1nnc(-c2cccc(Cl)c2)o1 783633203 INKJLEPBZDGREE-CQSZACIVSA-N 446.850 5.367 30 20 IKED CC(C)OCc1ccc(C(=O)[C@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 787053716 RJDDFJAJCQJBFN-LIRRHRJNSA-N 433.335 5.118 30 20 IKED C=CCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1C#N 790278749 BSJSREJSEXNXMW-QFIPXVFZSA-N 446.576 5.102 30 20 IKED CN(C)C(=O)c1ccc(C(=O)/C=C/c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 792924169 BNBRUZFNRKNFAW-VAWYXSNFSA-N 430.451 5.427 30 20 IKED COc1ccc2c(c1OC)O/C(=C\c1cccc(NC(=O)c3ccccc3Cl)c1)C2=O 799501297 YRVFYGDHKCMSHL-MOSHPQCFSA-N 435.863 5.226 30 20 IKED C[C@H](NC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F)C(F)(F)F 808817672 CULQDBZPPUDOSA-VIFPVBQESA-N 437.315 5.169 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 812175998 NVPPQJBEKGZBLS-LAUBAEHRSA-N 428.367 5.090 30 20 IKED C[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(N2CCCOC2=O)cc1 814350735 SOTMGHBDWVGPHJ-SFHVURJKSA-N 441.487 5.188 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)cc1C#N 814677299 DAHWJOABQLTVLM-SFHVURJKSA-N 444.944 5.179 30 20 IKED N#CCSc1ccccc1C(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 856847408 VBXDXEWDFLXWML-UHFFFAOYSA-N 442.584 5.091 30 20 IKED Cc1ccccc1-c1ccccc1CNc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 863999971 NTAOUVASPLMJFO-RFBIWTDZSA-N 433.577 5.087 30 20 IKED Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915086113 HGUYQBJJMFWEAN-FTJBHMTQSA-N 439.559 5.434 30 20 IKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccccc1Cl 916209097 DVVPSNAESBXAFA-LJQANCHMSA-N 445.972 5.109 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)c(OC)c2)cc(OC)c1OC 916432217 UGNLMBLABJNSKF-UHFFFAOYSA-N 442.512 5.040 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(Cl)cc1 916885116 NDCPEEKYWZNPJY-QFIPXVFZSA-N 430.891 5.317 30 20 IKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)oc2ccc(Cl)cc12 916885717 ATHKEUFLCZTOSM-HNNXBMFYSA-N 434.851 5.671 30 20 IKED C[C@@H](Sc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042175 CXQUOVRBKOOYLR-QMTHXVAHSA-N 440.899 6.326 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CSc2nn(-c3ccccc3)c(=S)s2)c1C 917176517 ZJHADRWPYIRIBZ-UHFFFAOYSA-N 440.619 5.319 30 20 IKED Cc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2sc3ccccc3c2C)cc1 917612059 DSXWRDNGDAMIKH-UHFFFAOYSA-O 442.589 6.001 30 20 IKED N#Cc1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)cc1 919974489 HQRJLTJBNITVTO-UHFFFAOYSA-N 429.277 5.183 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCSc3ccc(Cl)cc3)n2)cc1 920141989 JIJHLVXXXZAQFY-IBGZPJMESA-N 442.993 6.221 30 20 IKED COc1cc(C=NOCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc(Cl)c1OC 920399649 XWUVJBPNIQOOEE-UHFFFAOYSA-N 442.686 5.265 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CC34CCCN3CCC4)CCC2)cc1 1785843037 PSXJGCSFWLNDRC-UHFFFAOYSA-N 437.628 5.131 30 20 IKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc5ccoc45)CCC3)cc2)cc1 1785882502 HUDGEYXNNCJEQS-UHFFFAOYSA-N 449.510 5.295 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4nccnc4c3)CCC2)cc1 1789454341 VXAPLLJWJSLVOQ-QFIPXVFZSA-N 440.547 5.146 30 20 IKED C/C(=C\c1ccc(C)o1)C(=O)Nc1ccc(C2(NC(=O)[C@H](S)C(C)C)CCC2)cc1 1789581719 QKWJIFAZVPNYNK-DGWAXEAPSA-N 426.582 5.080 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)C1 1823702550 QSMGPSAKBZFTMW-QGZVFWFLSA-N 441.424 5.254 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](CCC)n2cccc2)CC1 1827626979 WXZXGHYGGAHJNA-DQEYMECFSA-N 439.644 5.217 30 20 IKED Cc1ccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(CO)c2)cc1F 11083122 GPXCFVINXQVUHS-UHFFFAOYSA-O 437.560 5.088 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N(Cc3ccccc3)CC3CCC3)s2)cc1 63161148 NTYMSVSUIVKZLE-UHFFFAOYSA-N 449.605 5.536 30 20 IKED C=CCc1cc(CNC(=O)N[C@H](c2ccccc2)c2ccc(OC)cc2)cc(OC)c1OC 65388963 BDZXATSNRRPLMP-RUZDIDTESA-N 446.547 5.030 30 20 IKED COc1ccc(-c2cc(C(=O)Nc3cccc(OCC#N)c3)c3ccccc3n2)cc1OC 107965945 RLLQQBHEVDYWLE-UHFFFAOYSA-N 439.471 5.074 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 108602819 FJEKYCIRFDMNED-HSZRJFAPSA-N 437.515 5.258 30 20 IKED COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)OCCCC#N)cc1OC 208988380 JZQVIKGKXDPMBT-MNDPQUGUSA-N 442.515 5.589 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3c[nH]nc3-c3ccc(Cl)s3)n2)cc1 426520344 CWKDZOSOSGQIJR-CYBMUJFWSA-N 440.937 5.414 30 20 IKED COc1cc(Br)cc(C)c1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 436150304 SLEZOHRUDKONOX-ZWKOTPCHSA-N 428.330 5.070 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(OCc3cccnc3)c2)cc1F 437472124 MKIHSBJAHQBHPI-UHFFFAOYSA-N 439.446 5.716 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCc3c([nH]c4c(F)cccc34)C2)cc1 439355438 SEGYVNACUNSAIQ-UHFFFAOYSA-N 446.526 5.102 30 20 IKED N#CC1CCC(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 441316990 VRKHEQBMZNBOTG-UHFFFAOYSA-N 444.457 5.409 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(COCC(F)(F)F)c1 441536444 ATMWPRGIIANAKE-UHFFFAOYSA-N 433.474 5.005 30 20 IKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1 442063480 MNESYYYYRCNKMW-OXQOHEQNSA-N 444.000 5.434 30 20 IKED N#CC1CCC(CN[C@@H]2CCCc3nc(-c4ccccc4Br)sc32)CC1 442867378 OFZKBEUPMVPWHN-JTTJXQCZSA-N 430.415 5.870 30 20 IKED N#CCCCn1cc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)c2ccccc21 443923885 ZMHXBMBMGGHUOL-QHCPKHFHSA-N 431.586 5.856 30 20 IKED C[C@@H](CC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccc(F)c(Br)c1 462025948 KZISMCJUUHZCPK-HNNXBMFYSA-N 445.332 5.023 30 20 IKED N#Cc1ccccc1Oc1ccc(NCc2cccc(C(=O)NCc3ccco3)c2)cc1F 463229630 OHNDHRVOAJVOPV-UHFFFAOYSA-N 441.462 5.625 30 20 IKED Cn1c(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc2cc(C(F)(F)F)ccc21 463693425 OSDHBESZCYQKJK-UHFFFAOYSA-N 432.286 5.154 30 20 IKED C[C@H](C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCC2)c1cccc(C#N)c1 463765959 KJGLSXVGEPSMRK-AWEZNQCLSA-N 429.570 6.127 30 20 IKED COc1ccc([C@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)c2ccccc2)cc1Br 463951977 CJTDLFQPHYTSLY-QMHKHESXSA-N 449.348 5.339 30 20 IKED CSc1cccc([C@@H](NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c2ccc(F)c(F)c2)c1 464115497 NKUJVPAGIDWKSI-NPMXOYFQSA-N 438.499 5.231 30 20 IKED N#C[C@@H](C(=O)c1cc(Br)cc(Br)c1)c1cc(C(F)(F)F)ccn1 464423235 UXXXTQYXXNANST-GFCCVEGCSA-N 448.036 5.115 30 20 IKED CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccccc1Sc1ccccc1C#N 464985712 ODZYDXWUXAHPDQ-JOCHJYFZSA-N 441.600 5.304 30 20 IKED CC1(C)[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)[C@H]2CCCO[C@H]21 466128260 FYZUCNJSRFNWDE-DUXKGJEZSA-N 425.916 5.329 30 20 IKED N#CCCCOc1cccnc1NC(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 466623747 WBELCXDZRBRTBK-QGZVFWFLSA-N 447.308 5.035 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N(CCC#N)CC(F)(F)F 467326628 VXDBRFCODXYSSY-UHFFFAOYSA-N 447.841 5.020 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 474512868 BUZDDQLJEDJECV-ZDUSSCGKSA-N 434.924 5.358 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(OC(F)F)c1 474977836 XTSCALGRWNKONM-GFCCVEGCSA-N 436.386 5.188 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCc2c(Br)ccc(F)c2C1 475560306 TZMCYFLCESHNCN-UHFFFAOYSA-N 431.349 6.030 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N(Cc2ccco2)Cc2cc3cc(C)ccc3o2)cc1 480306043 QYMATZLRRHLXKL-UHFFFAOYSA-N 443.503 5.484 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC(c4c(F)cccc4F)CC3)s2)cc1 486010418 UQABTXPGDPSLSL-UHFFFAOYSA-N 438.503 5.295 30 20 IKED O=C(Nc1ccn(CC(F)(F)F)n1)Nc1cc(C(F)(F)F)ccc1SCC(F)F 486913546 MWHRFZBZARXRCD-UHFFFAOYSA-N 448.339 5.465 30 20 IKED O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 490756413 GFJKFSYFFKUYND-UHFFFAOYSA-N 438.453 5.171 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F 498098457 OLAPICPUTRTVEU-CABCVRRESA-N 426.410 5.732 30 20 IKED C[C@@H]1CN(c2ccccc2NC(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@@H](C)O1 498715468 ARDOFRALXOIHHQ-WOJBJXKFSA-N 441.531 5.003 30 20 IKED CN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C1CCN(Cc2ccccc2)CC1 499530108 OKPRMEGHFYWQRR-UHFFFAOYSA-N 439.559 5.282 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc2oc(C3CC3)nc2c1 502681737 UVTGKOKUOCOBGQ-UHFFFAOYSA-N 444.304 5.827 30 20 IKED N#C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1cccc(Cl)c1Cl 505307250 CJMBLBQRRGTAKZ-OAHLLOKOSA-N 439.224 5.193 30 20 IKED Cc1nc(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)n(C2CCCCC2)c1C 505351244 INMBYZVDAWPHDH-SFHVURJKSA-N 428.577 5.572 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@@H](C#N)c4ccccc4Cl)cc3)o2)c1 505656442 DNICZSQTIOZDSD-NRFANRHFSA-N 428.879 5.360 30 20 IKED CC1(c2cccc(Br)c2)CCN(C(=O)c2cccc(SCC#N)c2)CC1 508508371 XWNJJXAPVZQIGM-UHFFFAOYSA-N 429.383 5.259 30 20 IKED CC(C)[C@@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)Nc1ccccc1C(F)(F)F 511369067 JTXKZVSIMPLHGU-LJQANCHMSA-N 433.499 5.606 30 20 IKED Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(N[C@H](C)c3ccc(C#N)cc3F)cc2Cl)n1 512295336 LFVDCTGBAIVIBF-HZPDHXFCSA-N 439.922 5.537 30 20 IKED C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)[C@@H](C)Oc1ccccc1C#N 512357790 YRXJNXVMQOYQPG-IXDOHACOSA-N 439.943 5.021 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)nc2ccccc21 513660614 NALYICSVUJZEPB-AWEZNQCLSA-N 434.908 5.031 30 20 IKED Cn1c([C@H](C#N)C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)nc2ccccc21 513692379 MVEUJSMGAPTMRR-HXUWFJFHSA-N 431.948 6.009 30 20 IKED C=C(C)Cn1c(S[C@H](C(=O)OC)c2cccc(Cl)c2Cl)nnc1-c1ccncc1 514112783 JQKONMPQZSHJBM-KRWDZBQOSA-N 449.363 5.229 30 20 IKED C=CCN(C(=O)Cc1coc2cc(C)ccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514616703 AZAKGSNTFXUMGX-UHFFFAOYSA-N 433.489 5.535 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ccc(Cl)cc2)s1)c1nc2ccccc2n1C(F)F 515539246 JQQSFQJGBJRDGO-CQSZACIVSA-N 427.863 6.303 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccccc3-c3nc4ccccc4s3)cc2)nc1 518373116 NIUACTOZOCQELB-UHFFFAOYSA-N 448.507 6.275 30 20 IKED COc1cc([C@H](C)NCc2ccc(C#N)cc2C(F)(F)F)ccc1OCc1ccncc1 518450958 JQQTVUITNXPWQM-INIZCTEOSA-N 441.453 5.410 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-n2cc(Br)cn2)cc1 521796460 DWRXKRFNJYEMBJ-AWEZNQCLSA-N 441.354 5.281 30 20 IKED Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 525737149 NRXLHIKHKMAUEM-UHFFFAOYSA-N 440.478 5.604 30 20 IKED C=CCn1c(SCC(=O)N(C)c2cccc3ncccc23)nnc1-c1ccc(Cl)cc1 534086483 TUUZSGUWJZMZKU-UHFFFAOYSA-N 449.967 5.088 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)NC3(c4ccc(F)cc4F)CCOCC3)c2)cc1 534916047 DJSFATLGTHXWAL-UHFFFAOYSA-N 433.458 5.016 30 20 IKED C=CCN(C(=O)c1cc(C)n([C@@H](C)C2CC2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 538491991 GCHIDIJHXAFLFY-HNNXBMFYSA-N 437.525 5.027 30 20 IKED Cc1cc(N(CCC#N)C(=O)CN[C@@H](C)c2ccc(-c3cccnc3)cc2)ccc1Cl 540431695 DUYGPYMHJZOZNZ-IBGZPJMESA-N 432.955 5.308 30 20 IKED C[C@H](CN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1nccs1 541447187 QYSFYKJTRHVERZ-OAHLLOKOSA-N 440.956 5.515 30 20 IKED C[C@H](NC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1)c1ccc(-c2cccc(C#N)c2)cc1 542091254 VIEGIVVOBPNMCT-IBGZPJMESA-N 447.542 5.661 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1nc(-c2ccccc2)cs1 543516727 YZELRMAAKSHJRC-IAGOWNOFSA-N 436.606 5.494 30 20 IKED C[C@H](Oc1ccccc1C#N)c1nc(-c2cccc(NC(=O)c3ccccc3F)c2)no1 544948594 JAZRETTXHRKXLH-HNNXBMFYSA-N 428.423 5.140 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C 554426756 HGSISEDCHQJUHF-UHFFFAOYSA-N 445.567 5.635 30 20 IKED O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 554913103 FXJDHKPVOACDKD-TZMCWYRMSA-N 430.339 5.332 30 20 IKED CC[C@H](c1cccc(OC)c1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 564165389 LPBDTOAIOBJLAQ-AREMUKBSSA-N 443.547 5.955 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 582593689 LLZXBAWBMVSGCX-UHFFFAOYSA-N 444.491 5.060 30 20 IKED N#CCCCn1cc(-c2nc(-c3ccccc3NC(=O)c3ccccn3)no2)c2ccccc21 589121946 WDNPFAFBNRTLSR-UHFFFAOYSA-N 448.486 5.309 30 20 IKED C=CCn1c(SCC(=O)N[C@H](CC)Cc2ccccc2)nnc1-c1ccc(Cl)cc1 590024306 HKDIPTRAVDMAEP-HXUWFJFHSA-N 441.000 5.014 30 20 IKED C=CCN(C(=O)Nc1ccc2c(ccn2CC(C)C)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 596360842 CCCRUZARVXLLSF-IBGZPJMESA-N 443.555 5.054 30 20 IKED N#C[C@H](Cc1ccccc1)Sc1nccn1-c1ccc(C(=O)NCc2cccs2)cc1 603725902 JWUSBIUOZDESSM-QFIPXVFZSA-N 444.585 5.091 30 20 IKED N#Cc1c(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)sc2c1-c1ccccc1CC2 603992095 ZTJWAXRMIJNZQJ-LJQANCHMSA-N 430.529 5.195 30 20 IKED Cc1cc(OC(F)F)c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1 604005482 XVWZJELUGPOLST-VIFPVBQESA-N 432.395 5.777 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCN(C(=O)c4ccoc4)CC3)cc2Cl)cc1 604027213 OCWCXYWNNJVCKQ-UHFFFAOYSA-N 449.894 5.088 30 20 IKED CC(C)(CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(Cl)cc1 604464213 LMZREXGOFGYLNG-UHFFFAOYSA-N 447.922 5.036 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1 608916094 JEWNHZRCADICRF-UHFFFAOYSA-N 440.547 5.206 30 20 IKED CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1 609064052 RMBGWOKLHROUAR-QGZVFWFLSA-N 445.544 5.215 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c1 609066839 USGDUDPDSBNAOD-UHFFFAOYSA-N 449.866 5.030 30 20 IKED Cc1nccn1-c1ccc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1F 609208852 MXRGOFZIEHMXMN-UHFFFAOYSA-N 441.466 5.306 30 20 IKED COC(=O)C[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(SC)cc1 609435462 PNCREOBBHUKNCK-DNVCBOLYSA-N 443.594 5.229 30 20 IKED CCC(=O)Nc1cccc(CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 609723704 VHSGENQBNIKHRF-UHFFFAOYSA-N 433.895 5.282 30 20 IKED CN1CCC[C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@@H]1c1cccs1 610320038 OHYGNWLJIDIXGV-FDDCHVKYSA-N 447.564 5.012 30 20 IKED CC[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1nc(C(F)(F)F)cs1 610407745 VNHFPGKSSQJWNA-OAHLLOKOSA-N 447.442 5.494 30 20 IKED C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H]1COc2ccccc21 611109505 NZKJKTLHLAPIDE-MHECFPHRSA-N 427.504 5.018 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@@H](C)c2ccccc2C(F)(F)F)c1C#N 614969892 HNPVVKMQQAURGX-ZDUSSCGKSA-N 430.455 5.227 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1NC(=O)c1ccccc1 642281533 HVYMHXJDCVIDJV-NRFANRHFSA-N 437.524 5.861 30 20 IKED Cc1nc2c(cnn2C(C)C)cc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 642282097 LFEUYBFKBNCTOL-OAHLLOKOSA-N 443.454 5.439 30 20 IKED C[C@@H](CC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(=O)c1cccc(F)c1 673637885 JHFKKJQMJQWEDC-MUYACECFSA-N 427.360 5.060 30 20 IKED CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=S)Nc1ccc(C#N)c(Cl)c1 726474928 CJSMXKUQVAPTIA-UHFFFAOYSA-N 427.936 5.002 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OC)c(Cl)c2)[n+]2ccc(CC)cc2)c1 726573000 USBDVTHDJUADBX-UHFFFAOYSA-O 449.983 5.503 30 20 IKED Cc1cc(C(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c(C)n1-c1ccc(C#N)cc1 728274063 SVTWVIXAFFZCDD-OZXSUGGESA-N 427.548 5.206 30 20 IKED Cc1ccc(-c2noc([C@@H](C)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)n2)cc1F 728298328 SAZKRZUQVJKGEM-MRXNPFEDSA-N 446.457 5.947 30 20 IKED Cc1ccc(Cl)c(N2C(=O)/C(=C/c3ccc(OCC#N)cc3)SC2=S)c1Cl 728610783 MRJDQUKCDSGLPQ-GDNBJRDFSA-N 435.357 5.610 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(-c3ccc(OC)cc3)cc2F)ccc1OC 733228355 IXIRWXBOUSRAST-HXUWFJFHSA-N 448.494 5.121 30 20 IKED N#C[C@@H](NC(=O)c1csc(COc2ccc(F)cc2)n1)c1c(Cl)cccc1Cl 733259737 JMXIMEHCTDVQFF-OAHLLOKOSA-N 436.295 5.163 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)NC(CC)(CC)c2ccc(Cl)cc2)ccc1OC 733652656 FGPUHZLLBHIYCL-FQEVSTJZSA-N 443.975 5.544 30 20 IKED CCOc1ccc(Cl)cc1C(=O)/C=C\c1csc(N(C(C)=O)c2ccc(F)cc2)n1 735978862 NEKITLDHOHUAMP-YFHOEESVSA-N 444.915 5.915 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)cc1 743093218 PDYWVIKDGODCRJ-QUCCMNQESA-N 438.314 5.904 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(Br)cn2C(C)C)cc1 744028702 NXROZZAEPUXHFV-SFHVURJKSA-N 430.346 5.135 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C(/C)c3cccc(C(F)(F)F)c3)n2)cc1 744062715 WFJQVXAQYDVFEQ-CPPNXCSESA-N 442.462 6.117 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccccc2Cl)C2CCCC2)c1 745820125 HSOYAKSVVQGETL-NRFANRHFSA-N 425.960 5.675 30 20 IKED C[C@@H](C#N)CN(C)Cn1nc(-c2ccc(Cl)cc2Cl)n(Cc2ccco2)c1=S 746706443 WIGCPSYZAQTJHP-ZDUSSCGKSA-N 436.368 5.078 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)[C@H](C)c1nc2ccccc2s1 748788650 UXGFUXVKWAAAJN-LBPRGKRZSA-N 442.470 5.759 30 20 IKED CC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H](O)c1c(F)cccc1F 752637124 ORPDSFLILHDWHI-UCFCWBNQSA-N 435.474 5.254 30 20 IKED COc1ccc(/C=C(/C)C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1F 755641449 TWMBKCMOFJDVFW-UNJUUPHPSA-N 428.435 5.516 30 20 IKED C[C@H](ON=Cc1ccccc1C(F)(F)F)c1nnc(-c2ccc(Cl)cc2Cl)o1 757615160 PVZYNDHPPAAMOM-JTQLQIEISA-N 430.213 6.174 30 20 IKED CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(N2CCC(OC)CC2)c(C(F)(F)F)c1 758016693 UYXLKRXZURPISR-HXUWFJFHSA-N 443.510 5.230 30 20 IKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C(C)C)cc2)=C(/O)c2ccc(C#N)cc2)cc1 762440293 WCYNBOQHNCGQAA-UHFFFAOYSA-O 442.608 6.245 30 20 IKED COCc1cccc(/C=C2/CC(O)(C(F)(F)F)C/C(=C\c3cccc(COC)c3)C2=O)c1 764432904 OQBNIYOGZSITSV-ZCJKAFFOSA-N 446.465 5.103 30 20 IKED CC1(C)CCCN(Cn2nc(-c3ccncc3)n(-c3ccc(Cl)cc3)c2=S)[C@@H]1C#N 766112389 OUPAPRNFRUNGDF-LJQANCHMSA-N 438.988 5.090 30 20 IKED C[C@H](Cc1ccc(F)c(Br)c1)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 766352329 WSJJBJXSOQTTAL-MFKMUULPSA-N 435.293 5.392 30 20 IKED COc1cc2c(cc1NC(=O)[C@@H](C#N)c1nccn1Cc1ccccc1)oc1ccccc12 768127984 ZGZUXUFJJOJHRE-FQEVSTJZSA-N 436.471 5.085 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)ccc1OC 772986088 NLMQGDFTLLZRAV-GHTZIAJQSA-N 425.548 5.356 30 20 IKED C=C[C@](C)(CCOC)C(=O)OCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 782441531 XNZMVYRUNULWFX-MRXNPFEDSA-N 429.127 5.011 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)Nc3ccc(-c4ccccc4)cc3)cc2)c1 784400103 WPRSFALBOZKUDG-UHFFFAOYSA-N 447.494 5.381 30 20 IKED C[C@H](OC(=O)[C@H]1CC[C@H](C(=O)O[C@H](C)c2cccc(C#N)c2)CC1)c1cccc(C#N)c1 784581596 GHLNCODBGLUQCD-VDIZWXITSA-N 430.504 5.145 30 20 IKED Cc1cc(Br)cc(NC(=O)c2ccc(C#N)cc2)c1NC(=O)OC(C)(C)C 784690621 RIAUGUGKNNIIFR-UHFFFAOYSA-N 430.302 5.229 30 20 IKED CC[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(Br)ccc1O 786962623 YSMXDBXHLVEPQD-LJQANCHMSA-N 442.357 5.301 30 20 IKED COCC[C@H](Cc1cccc(Br)c1)C(=O)[C@H](C#N)c1nccc2ccccc12 792093980 BTUWMZUQTIFESL-WIYYLYMNSA-N 437.337 5.069 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C/C(=O)c1ccc(C(=O)N(C)C)cc1 792924581 DWHNWWGVIAPNFI-OUKQBFOZSA-N 428.319 5.085 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 793260120 ZJSUYQLOKGKFJI-UHFFFAOYSA-N 431.536 5.074 30 20 IKED CC(C)(C#N)c1ccc(C(=O)OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 796039034 KPHIGSLFXQMEIF-UHFFFAOYSA-N 425.699 5.243 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)c1 798065501 VJUCEKCXSOLTPE-IHPCNDPISA-N 431.458 5.132 30 20 IKED C=C(C)Cn1c(Cc2ccc3ccccc3c2)nnc1N1CCC(O)(c2ccccc2)CC1 802569985 IKNOVKNADZHCIT-UHFFFAOYSA-N 438.575 5.086 30 20 IKED C[C@@H](OC(=O)C(C)(C)c1cc(F)cc(C#N)c1)C(=O)Nc1ccccc1-c1ccccc1 803924685 MGRZQSGTOAHJOM-QGZVFWFLSA-N 430.479 5.212 30 20 IKED C=CCN(C(=O)c1cc(Br)ncc1Cl)c1nc(-c2ccccc2)cs1 807963661 FTFCXEHZPUWSSV-UHFFFAOYSA-N 434.746 5.454 30 20 IKED C#C[C@@H](NC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1ccc(Cl)cc1 810186342 SQTLJRZBHPWCTJ-WVXBCFDCSA-N 436.964 5.285 30 20 IKED Fc1ccc(C(C[C@@H]2CCCO2)=NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc1 811644438 ZNLPAULYSDEUTJ-INIZCTEOSA-N 445.420 5.082 30 20 IKED N#C[C@@H](C(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1)c1cc(C(F)(F)F)ccn1 813212080 WYIAOMVMEBPEDF-NQIIRXRSSA-N 430.813 5.750 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813214548 ZKFOQQWPMQDLAG-MRXNPFEDSA-N 433.430 5.256 30 20 IKED Cc1cc(CSc2ccccc2C(=O)NCC#Cc2cccc(C(F)(F)F)c2)on1 875735625 JPTMNFCBAPRIEK-UHFFFAOYSA-N 430.451 5.076 30 20 IKED O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Oc1c(F)c(F)cc(F)c1F 916868105 PANLCLHVFFJJSU-UHFFFAOYSA-N 435.320 5.533 30 20 IKED Cc1cc(O[C@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1Cl 916888189 SQWSRHXUYNKPII-WBMJQRKESA-N 438.883 5.078 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1sc2ccccc2c1Cl 916906417 SYCIHNXVQWZIGO-QGZVFWFLSA-N 446.915 6.308 30 20 IKED N#C[C@H](C(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1)c1nc2ccccc2n1C(F)F 917041045 OGBARZBNQLHTPO-MRXNPFEDSA-N 447.407 6.138 30 20 IKED N#C[C@H](C(=O)CSc1ccc2c(c1)CCC2)c1nc2cc(C(F)(F)F)ccc2s1 917043365 LIMMDXNFCKQYTB-MRXNPFEDSA-N 432.492 5.772 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(OC)c(NC(=O)OC(C)(C)C)c1 918032299 VNFWQOYNGXXMKC-UHFFFAOYSA-N 441.528 5.271 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 918578279 URICOTUYFXIGRY-AREMUKBSSA-N 438.527 5.311 30 20 IKED C[C@H](Sc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920804002 IFRDKEZFBILIEP-SMDDNHRTSA-N 434.920 6.099 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCc3cc(F)ccn3)cc2)CCC1 1786822046 QFIZCDWOGBWUMU-QHCPKHFHSA-N 435.543 5.056 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CSc4ccccc4)cc3)CCC2)cc1 1787776114 MKCZRHFRRKEKLD-UHFFFAOYSA-N 441.556 5.098 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)nc2ccccc12 1797458315 BMLSFNSUTFWLNE-BCDXTJNWSA-N 439.987 5.132 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C2 1798592705 DJAPQSUOQVXVIH-PVIWCNJMSA-N 429.004 5.074 30 20 IKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cc(Cl)ccc1Cl 1801466445 JXBJGSOSEWLUHE-WKCHPHFGSA-N 449.422 5.333 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2scnc2C2CC2)n[nH]1 1816252018 XLZJQEYAURULMS-KRWDZBQOSA-N 441.601 5.042 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccccc2Cl)CC1 1824141012 PVNKITDREIFUAG-DEOSSOPVSA-N 443.031 5.271 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nccc3occc23)CC1 1827300553 VLEHWTORYWPMDM-OAQYLSRUSA-N 437.584 5.054 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCCCC2(F)F)CC1 1828822704 ZWQUHBPNYPMWQG-FSSWDIPSSA-N 436.587 5.200 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCCCC2(F)F)CC1 1828822706 ZWQUHBPNYPMWQG-VSKRKVRLSA-N 436.587 5.200 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1831372690 HBBRNBGTCOWVHA-JTSKRJEESA-N 442.003 5.267 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 1831474273 BDSCTXAAASPRMI-AYVPJYCDSA-N 428.661 5.425 30 20 IKED CCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2c(C)cccc2C)cc1 11153248 WAEOWZGVJMVYBM-UHFFFAOYSA-O 448.612 5.352 30 20 IKED C=CCn1c(SCc2cc(-c3ccc(OC)cc3)no2)nc2sc(C)c(C)c2c1=O 11316654 ZITIWJFZLLXHEJ-UHFFFAOYSA-N 439.562 5.217 30 20 IKED C=CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccc(Cl)cc1Cl 15414149 MTCXNUAMLVYWFM-UHFFFAOYSA-N 437.327 5.308 30 20 IKED CCCCn1c(SCC(=O)Nc2sccc2C#N)nc2cc(C(F)(F)F)ccc21 19162293 YFIGWWNSSXUZMM-UHFFFAOYSA-N 438.500 5.519 30 20 IKED N#CCSc1ccccc1NC(=O)CSc1nc(-c2cccs2)nc2ccccc12 21176770 BMYWAYPYHFAEIN-UHFFFAOYSA-N 448.598 5.705 30 20 IKED CCCCC[C@@H](C)n1c(SCC(=O)N(CC#N)c2ccccc2)nc2ccccc2c1=O 23869428 UDOACEGNXZAJIW-LJQANCHMSA-N 448.592 5.187 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c3cnn(C(C)C)c3n2)c(C)o1 25840371 VFCJKAYHEBHELE-UHFFFAOYSA-N 441.535 5.943 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2cc(Cl)ccc2Cl)[n+]2ccccc2)c(C)c1 98069600 RXYBFPRAWOBJBA-UHFFFAOYSA-O 430.380 5.949 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2ccnc3ccccc23)n(Cc2ccc(F)cc2)c1C 110658823 YHMDBRXIEKBRNE-UHFFFAOYSA-N 444.535 5.443 30 20 IKED C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cccc(C#N)c1 237569796 HWLXSYQHLBJJKE-ZDUSSCGKSA-N 426.270 5.340 30 20 IKED C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(Br)cc1Cl 303349223 NGBWZCWYZHCMBN-LLVKDONJSA-N 445.791 5.298 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1oc2ccccc2c1CN(C)C 303536575 IQKRLUWYPNTPLX-UHFFFAOYSA-N 426.476 5.114 30 20 IKED C=CCN(C(=O)c1ccccc1I)c1nc(-c2ccccc2)cs1 324763373 XBBBQRVBORMVFB-UHFFFAOYSA-N 446.313 5.248 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 426093969 OJOCRJFYGOFEJT-UHFFFAOYSA-N 441.285 5.177 30 20 IKED Cc1nc([C@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cs1 429360248 FXKIKBOTLARXPI-HSZRJFAPSA-N 432.549 5.466 30 20 IKED Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1sc2ccc(C#N)cc2c1C 429860304 OYFBINUXGNQXLZ-HZPDHXFCSA-N 445.588 5.760 30 20 IKED O=C1CN(Cc2ccc(F)cc2)C(=O)N1[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 431746452 UNVBZYQTILJRRQ-INIZCTEOSA-N 448.338 5.302 30 20 IKED CO[C@@]1(C)CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 432081859 YTOREPLAGSHHFW-QHCPKHFHSA-N 427.932 5.214 30 20 IKED O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)N1CC[C@H](CC(F)(F)F)C1 434214716 RWGRDYXPZGUQNF-MRVPVSSYSA-N 430.299 5.023 30 20 IKED O=C(NCCSCC(F)(F)F)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 436328256 ILCKIEYDNWXHOI-LLVKDONJSA-N 442.347 5.294 30 20 IKED C=CCC[C@@H](NC(=O)C1CCN(C(=O)c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 441580627 IWFCCMQRDRFLDK-JOCHJYFZSA-N 444.497 5.381 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1ccnc(-c2ccc(Br)cc2)n1 441913215 XGHMJIQWMMAQPZ-FGZHOGPDSA-N 433.353 5.178 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1ccc2nc(C)sc2c1)c1ccc(C(F)(F)F)cc1 442097206 JHIPAGLUOKISIB-QGZVFWFLSA-N 447.482 5.386 30 20 IKED CCOc1ccc([C@H](NCc2nnc(-c3cccc(C#N)c3)o2)c2cccc(Cl)c2)cc1 443455299 RFLXMHWAEAHNEB-DEOSSOPVSA-N 444.922 5.540 30 20 IKED CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cn(CCCC#N)c2ccccc12 444035366 JQEBMCBGVBMCIR-UHFFFAOYSA-N 425.536 5.040 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2sc(-c3ccccc3)nc2C)c1C#N 445568171 XSDPJUFBCGOHAJ-UHFFFAOYSA-N 431.546 5.150 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccccc1COC(C)(C)CC 446509719 CAFKDUVWUWMZJR-UHFFFAOYSA-N 434.989 5.260 30 20 IKED C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 460580587 YLZSWOQKWWKUQM-INZIPBBXSA-N 434.565 5.202 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CC(F)(F)F)CC1 460951140 UXOGCUPHVGZERO-HNNXBMFYSA-N 426.458 5.302 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)c1 464229909 RYXPZDPDXAAAHX-MRXNPFEDSA-N 428.875 5.724 30 20 IKED C[C@H](C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccc(C(F)(F)F)cc1 464730441 SCLPCVHAOHETBG-NSHDSACASA-N 445.338 5.791 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)cc1Cl 468109505 KTWVDKLIUCDWNS-RACLHMPKSA-N 434.845 5.290 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 469291264 UONPRCZYKZLWEZ-CQSZACIVSA-N 426.929 5.356 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)CCSc3ccc(Cl)cc3)ccc21 469951581 XZYLJTQBFDYFGC-UHFFFAOYSA-N 427.957 5.044 30 20 IKED CCc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)o1 470535641 GVVUKPIBZLCDHO-HSZRJFAPSA-N 448.567 5.574 30 20 IKED Cc1c(C#N)c(NC(=O)CCN2CC[C@H](C)C[C@@H]2c2ccco2)n(Cc2ccco2)c1C 472248012 JPNNFPZPPJBVMC-HTAPYJJXSA-N 434.540 5.013 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1 474359429 XTWRKCAMOLUQIX-XMMPIXPASA-N 444.510 5.186 30 20 IKED CN1Cc2cc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)ccc2NC1=O 478971954 KAAPXZNOCLDUJX-UHFFFAOYSA-N 428.517 5.080 30 20 IKED CCCC[C@](C)(NCc1nnc(-c2cccc(C#N)c2)o1)c1cccc(Br)c1 483089655 NRFQBWIGTOPYBM-QFIPXVFZSA-N 439.357 5.566 30 20 IKED CN(CC(=O)Nc1c(Cl)cccc1Cl)c1c(C#N)cnc2c(F)ccc(Cl)c12 486166792 QILGCIYAUBLKCL-UHFFFAOYSA-N 437.689 5.281 30 20 IKED Cc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)ccc1[N+](=O)[O-] 487348681 CKVWSPGBOQNGEY-UHFFFAOYSA-N 446.410 5.093 30 20 IKED C=C(C)Cn1c(S[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)nnc1-c1ccncc1 489383833 AADFLUQCTWTOGX-OAHLLOKOSA-N 436.516 5.267 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)nnc1-c1cccs1 489394156 OOELUINFVMFQRG-LLVKDONJSA-N 445.570 5.061 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N[C@H](c1c[nH]c2ccccc12)C(F)(F)F 490779279 AXVROGDBINQUOG-DLBZAZTESA-N 447.354 5.903 30 20 IKED N#Cc1ccc(Br)c(CNc2cccc(CS(=O)(=O)C3CCCCC3)c2)c1 492445212 UNDULZWSXBSHTK-UHFFFAOYSA-N 447.398 5.180 30 20 IKED Cc1cn(-c2ccccc2Cl)nc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 500467249 VWQYCLFUIFEBAB-QGZVFWFLSA-N 443.919 5.319 30 20 IKED C=C(C)[C@@H](NC(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1)c1ccc(F)c(F)c1 501012874 CJQFZAPRMJBQPD-OAQYLSRUSA-N 445.897 5.409 30 20 IKED CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C1CCN(Cc2ccccc2)CC1 502599513 AYWFQDNATYXOEF-UHFFFAOYSA-N 440.547 5.479 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3cccc(NC(=O)Nc4ccccc4)c3)CC2)cc1 503628386 YUJPTTOOCWVYPS-UHFFFAOYSA-N 437.503 5.523 30 20 IKED C=CCCc1ccccc1NC(=O)CCSCC(=O)Nc1ccc(Br)cc1 504276370 CNNIFWOFLMXHAQ-UHFFFAOYSA-N 447.398 5.268 30 20 IKED C[C@H](NC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(C#N)cc1 505326546 VKWSKMJFKBXEKT-FQEVSTJZSA-N 435.531 5.314 30 20 IKED C=CCN(Cc1ccccc1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 505379295 JEXVTOZQXJVKFH-JOCHJYFZSA-N 432.486 5.571 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc2c(c1)CC(=O)N2 506207056 KXEFFMFIPYEUMV-QVKFZJNVSA-N 444.922 5.373 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@H](COc4ccccc4)C3)c2)cc1 506361040 BMXBMGAAWCWEED-QHCPKHFHSA-N 441.531 5.264 30 20 IKED N#Cc1ccccc1N1CCN(C(=O)Nc2ccccc2-c2nc3ccccc3s2)CC1 508209622 CRAXNXLYBUVICF-UHFFFAOYSA-N 439.544 5.189 30 20 IKED CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)C1(c2cc(F)cc(C#N)c2)CC1 509796391 CJCCSCIBJLCLBM-UHFFFAOYSA-N 449.501 5.394 30 20 IKED COc1ccc(C)cc1CCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511352818 IKSDLLQYMOANLW-UHFFFAOYSA-N 429.520 5.013 30 20 IKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)Nc1ccc(CC#N)cc1 515102520 DVFJLQYFDDPCIG-UHFFFAOYSA-N 435.549 5.456 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1[nH]c2ccccc2c1Br 515826610 UEQYXLOITLTUMA-UHFFFAOYSA-N 447.292 5.550 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CSCc1csc(Cc2ccc(Cl)cc2)n1 517178348 WQTOAASFVBCELU-UHFFFAOYSA-N 448.400 5.784 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)cc1 518192805 DTAYCTZTXPBQGH-RRPNLBNLSA-N 432.523 6.227 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 518757820 KYWPQINNQTZPIK-ZHRRBRCNSA-N 439.556 5.206 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc2c(c1)CCC(=O)N2 520196917 JQQMJFGCKVXSMI-INIZCTEOSA-N 426.476 5.118 30 20 IKED CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 521086996 HWUUPVAYLAACAA-UHFFFAOYSA-N 427.504 5.326 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c12 521326649 BBYFRNUAGZXHKH-OAHLLOKOSA-N 446.532 6.082 30 20 IKED Cc1ccnc(-c2ccc(N[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)cc2)n1 523736177 SZIWQWOOBLGHKF-INIZCTEOSA-N 431.565 5.093 30 20 IKED C=CCn1c(S[C@H](C)c2nc(Cc3ccccc3)no2)nc2cc(Cl)ccc2c1=O 525046256 RMCPPIFZVMDKCP-CQSZACIVSA-N 438.940 5.063 30 20 IKED CC(C)[C@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(F)cc1 533679703 ZBHBJZIKGUNNIS-SFHVURJKSA-N 426.542 5.219 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NC3(c4ccc(F)cc4F)CCOCC3)c2)cc1 534107649 NGRZHIYMUWBSRZ-UHFFFAOYSA-N 434.442 5.064 30 20 IKED CC(C)[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)c1ccc(C2CCCCC2)cc1 536982070 PENVTZWBCINIPZ-QFIPXVFZSA-N 449.599 5.009 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)N[C@@H](C)c1cccc(C#N)c1 539509602 HJCBUJHVOBUEJZ-KBPBESRZSA-N 426.383 6.165 30 20 IKED Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 542035196 XVMGIDYHQXASGN-CQSZACIVSA-N 442.976 5.511 30 20 IKED CCc1ccc([C@H](Nc2ncc(Cl)c(C)c2C#N)c2cccc(S(C)(=O)=O)c2)cc1 544063635 ZAOPMNYFEFELSN-QFIPXVFZSA-N 439.968 5.083 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)c1nc(-c2ccc(Br)cc2OC(F)F)no1 545788054 QKCPFQARAXFJKM-SNVBAGLBSA-N 436.212 5.112 30 20 IKED CCCN(C(=O)c1ccc(C#N)c(Cl)c1)[C@H](c1cccnc1)c1ccc(F)cc1F 548618675 BQRQFNCPZHABGI-JOCHJYFZSA-N 425.866 5.527 30 20 IKED CC(C)Oc1ccc([C@H](CNC(=O)Nc2ccccc2SC[C@H](C)C#N)N(C)C)cc1 554444732 QEQYJJYZJWCNQX-GCJKJVERSA-N 440.613 5.150 30 20 IKED O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 554913097 FXJDHKPVOACDKD-GXTWGEPZSA-N 430.339 5.332 30 20 IKED C=C(C)Cn1c(SCc2cc(F)c(C(F)(F)F)cc2F)nnc1-c1ccncc1 557788124 DFAZALDEQCZNSS-UHFFFAOYSA-N 426.414 5.506 30 20 IKED C=C(C)CN1CCC(NC(=O)Nc2ccc(OC(F)F)c(-c3ccc(OC)cc3)c2)CC1 560916296 ILQFQGYIJRHJOI-UHFFFAOYSA-N 445.510 5.126 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H]1c1cccc(Cl)c1 562021967 NPNUFCXUHWEDME-VABKMULXSA-N 434.971 5.704 30 20 IKED C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(CC(F)(F)F)CC1 564759378 VHANFTDZFDKOOE-UHFFFAOYSA-N 438.494 5.096 30 20 IKED COc1cc(Br)ccc1-c1noc(-c2cc(C3CC3)nc(SC)c2C#N)n1 568813532 SISSIBFBCKIENY-UHFFFAOYSA-N 443.326 5.041 30 20 IKED Cc1c(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)sc2ccc(C#N)cc12 575360135 RHETVMXTTZKDRS-UHFFFAOYSA-N 433.411 5.194 30 20 IKED C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 582982994 SMYWKCSLSSVULE-QGZVFWFLSA-N 442.523 5.208 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 588296615 UNXCDMUFNAMNMW-NHCUHLMSSA-N 447.348 5.206 30 20 IKED N#Cc1cccc(C2(C(=O)N[C@@H]3CCCc4c3[nH]c3ccc(Br)cc43)CC2)c1 589057502 IPIGAZMXWYSWIY-HXUWFJFHSA-N 434.337 5.027 30 20 IKED CC(C)(C(=O)N[C@@H]1CCc2cc(C#N)ccc21)c1csc(-c2c(F)cccc2Cl)n1 589504310 OOEVQSLKNDSYHB-GOSISDBHSA-N 439.943 5.556 30 20 IKED CCN(CC)[C@@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccsc1 603691332 CLDDZGBKHTUMSB-NRFANRHFSA-N 435.553 5.012 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CCSc2ccc(Cl)cc2)cc1 604003458 BRUJADOSXHMPKW-UHFFFAOYSA-N 436.964 6.106 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(OC)c1 604461878 NPXNEDKNDGJBGJ-XMMPIXPASA-N 443.503 5.737 30 20 IKED CC(C)c1ccc(-c2nc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)cs2)cc1 604482154 OCEZOGWGVPXMSX-UHFFFAOYSA-N 432.593 5.009 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1OC 604562034 SWFOLWCTDJSPCM-UHFFFAOYSA-N 447.491 5.040 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c1 604929631 JDHZDXQDYCRNSQ-SFHVURJKSA-N 441.796 5.908 30 20 IKED COc1ccccc1CC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 608840461 FPTDFORBCQBAPO-UHFFFAOYSA-N 442.519 5.241 30 20 IKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)Nc1ccccc1SCCC#N 609375633 YHHQUJORGCNKSI-UHFFFAOYSA-N 437.568 6.397 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 609377783 MMPIGHQZZLAGDG-MRXNPFEDSA-N 433.508 5.582 30 20 IKED CCCN(C(=O)c1cc2ccccc2n1CC#N)[C@H](c1ccc(F)cc1)c1cccnc1 609522761 LAEALRFYQHIAKV-RUZDIDTESA-N 426.495 5.341 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)cn2)cc1 609642470 IHIHPXHREJIKFL-UHFFFAOYSA-N 446.466 5.449 30 20 IKED CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1cc(F)ccc1F 610149719 YCAGBDQBQXOJKH-QFIPXVFZSA-N 449.457 5.143 30 20 IKED COc1cccc(Oc2ncccc2CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 610167014 NSSQOWLNNITYRC-KRWDZBQOSA-N 448.548 5.456 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)nc2ccccc2c1=O 611636915 GIVIASWRPFZBSY-QZTJIDSGSA-N 443.572 5.094 30 20 IKED COc1cc2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)[nH]c2c(OC)c1OC 613318996 LZSJASDWQGQVEF-MRXNPFEDSA-N 447.516 5.116 30 20 IKED N#C[C@H](C(=O)c1ccccc1-n1cccn1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346737 PGXDDTYZHFRLLT-MRXNPFEDSA-N 439.327 5.793 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC2(CC1)OCc1ccccc12 670197370 FQYVAWHORWDOMB-IBGZPJMESA-N 448.542 5.159 30 20 IKED CC(C)(C)[C@H](COc1ccccc1F)NC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674434728 ZAJAJXDIQWEREQ-JMSVASOKSA-N 444.391 5.001 30 20 IKED Cc1cc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)sc1-c1ccc(F)cc1 674446308 IPRBNCXNALGWHP-STQMWFEESA-N 425.369 5.675 30 20 IKED Cn1ncc(NC(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)(F)F)c1C(F)F 677617747 NAFIIDFVWCRKSY-UHFFFAOYSA-N 448.339 5.675 30 20 IKED CN(C)Cc1ccc(-c2ccccc2CNC(=S)Nc2ccc(C#N)c(Cl)c2)cc1 726454779 CBVOLGIKRJBQBI-UHFFFAOYSA-N 434.996 5.427 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnc(Cc3ccc(F)cc3)s2)cc1 727086013 CZJKULWLRHCLDF-QFIPXVFZSA-N 427.504 5.781 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnc(Cc3ccc(F)cc3)s2)cc1 727234049 XQBSBGAWHNFSQD-QRWLVFNGSA-N 435.524 5.348 30 20 IKED C#CC[C@@H](OC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1)c1ccccn1 727776065 RCNIVMVDZPOZLO-OAQYLSRUSA-N 449.304 5.018 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)N[C@@H](C)c3ccc(C#N)cc3)cc2C(F)(F)F)C[C@@H](C)O1 728130668 RWTBXRCAFQVYQB-XHSDSOJGSA-N 446.473 5.073 30 20 IKED Cc1c(Cl)cccc1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728298624 GYXDJYRNCCSKCL-MRXNPFEDSA-N 437.902 5.677 30 20 IKED CCCOc1cn(-c2ccccc2)nc1C(=O)[C@H](C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 728767061 UEGGMVFORWQFAX-AVRDEDQJSA-N 444.535 5.136 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N(Cc3ccccc3O)C3CCCCC3)s2)cc1 729492046 OSWNWBVLLMJUNY-UHFFFAOYSA-N 446.576 5.678 30 20 IKED N#C[C@H](C(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1)c1nc2ccccc2s1 730070777 ALCWANQJWYPRBG-ZHRRBRCNSA-N 436.508 6.284 30 20 IKED C[C@@H](OC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)C(=O)Nc1ccccc1C#N 730375747 BCDFYGMCEHMDSV-CYBMUJFWSA-N 442.443 5.072 30 20 IKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 730417736 QLNWIVQUYWMZNX-GOSISDBHSA-N 443.507 5.057 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3Cl)n2)cc1 730692489 YXWUESRNAKBCOL-KZNAEPCWSA-N 443.355 6.105 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC([C@@H](O)c4ccc(Cl)cc4)CC3)c2)cc1 731832919 RAMBOKVIOJBQFH-VWLOTQADSA-N 446.934 5.590 30 20 IKED COc1cc(/C=C\C(=O)c2c(C#N)c3n(c2C)CCC3)ccc1OCc1ccc(F)cc1 731937192 HFGXEGGQGBWQMW-XFFZJAGNSA-N 430.479 5.237 30 20 IKED CCc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 732377143 AREJVARSKZQYAC-SFHVURJKSA-N 428.488 5.291 30 20 IKED Cc1c(C(=O)/C=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)cnn1-c1ccc(F)cc1 733083668 OKSYGEPJSUJKPK-YFHOEESVSA-N 434.452 5.248 30 20 IKED CSCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1 735969381 IUJHUBMSSNPVAF-GOSISDBHSA-N 448.013 5.053 30 20 IKED C=CCn1c(-c2ccccc2F)nn(CN2CCSC[C@H]2c2ccccc2)c1=S 738070734 XTYWUJGMQYBYLP-FQEVSTJZSA-N 426.586 5.154 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccc(OC[C@@H]4CCCO4)cc3)c2)s1 740441635 XIWIXNPVBAFGKG-NRFANRHFSA-N 433.533 5.166 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)cc1 741431999 VYTOYBXLVOIKOS-VVHHDAOASA-N 444.453 5.550 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2ccccc2Sc2ccccc2)ccc1OC 741930379 RKFBITHNGNCWKB-LJQANCHMSA-N 432.545 5.457 30 20 IKED O=C(O)COc1ccc(/C=C\C(=O)c2ccc(SC(F)F)cc2)cc1Br 742434424 INNPRRSPSKBULS-XFSBKJJWSA-N 443.265 5.123 30 20 IKED COc1ccc(-c2cc(NCC(=O)Nc3ccc(CC#N)cc3)ccc2OC(F)F)cc1 742987417 JCDDDPGRYBASQR-UHFFFAOYSA-N 437.446 5.080 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@H](O)c1cccc(Cl)c1 743252645 APNHAMUVOAQTAG-SFHVURJKSA-N 436.364 5.176 30 20 IKED Cn1c(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc2cc(C(F)(F)F)ccc21 744028005 GTRBNEWUODJSRG-GOSISDBHSA-N 435.405 5.311 30 20 IKED N#C[C@H]1C(CN2Cc3ccccc3C[C@H]2c2ccccc2)=CC(=O)n2c1nc1ccccc12 744411747 IRYBQANDEHHCDA-OZXSUGGESA-N 430.511 5.023 30 20 IKED C=CCOc1ccc(/C=C/C(=O)N[C@H](CC)c2nc(C(F)(F)F)cs2)cc1OC 744726097 WRMGGPNJPHOKMQ-RCQQVGEISA-N 426.460 5.016 30 20 IKED C[C@H](OC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1nc(Cc2ccccc2)no1 744742961 QPEPBZSKRWNLTP-SFHVURJKSA-N 439.471 5.029 30 20 IKED COc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 746763381 IIDXCQPCIUIXLE-JWQCQUIFSA-N 425.532 5.590 30 20 IKED COc1cc(NC(C)=O)ccc1C(=O)/C=C\c1cc(C)c(OCc2ccccn2)c(C)c1 747693884 QLYZDPCZOYJEQR-FLIBITNWSA-N 430.504 5.141 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@H](CC)c2ccccc2OC(F)F)cc1C#N 752294200 FPHVCDMKDFHHCE-MRXNPFEDSA-N 432.427 5.001 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1 752680620 YMGXSOBSDVCJBD-RXVVDRJESA-N 435.549 5.442 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C(\C)c3ccccc3OC(F)F)n2)cc1 753395462 IVBMPGFEJOTFSV-GPZRYRNASA-N 440.471 5.700 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(CCCO)[C@@H]2CCc3ccccc32)cc1 754437430 RCBRKIKCHNGTFJ-IZZNHLLZSA-N 425.532 5.246 30 20 IKED COc1cc(C=NOc2ccccc2C(F)(F)F)ccc1OC(=O)c1ccccc1F 754712350 NHPYKVQCQHQPFX-UHFFFAOYSA-N 433.357 5.485 30 20 IKED N#C[C@@H](C(=O)CN1CCC[C@@H]1c1ccccc1Br)c1nc2ccccc2s1 755997352 HFWZBEUJOBUKLW-MAUKXSAKSA-N 440.366 5.072 30 20 IKED CC[C@@H]1CN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC[C@@H]1NC(=O)OC(C)(C)C 757880592 HDSKRPNATNKQLS-KURKYZTESA-N 446.617 5.238 30 20 IKED CCN(C(C)=O)c1nc(/C=C\C(=O)c2ccc(-c3ccc(Cl)cc3F)s2)cs1 758040067 NODVGATXINTMDA-ALCCZGGFSA-N 434.945 5.933 30 20 IKED O=C(/C=C/c1cncc(F)c1)C(c1nc2ccccc2s1)c1nc2ccccc2s1 759181421 PMKCLDZINUPRDN-MDZDMXLPSA-N 431.517 5.855 30 20 IKED COc1cccc(-c2nn(C(C)(C)C)cc2/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)c1 759651861 CWWJYLQTPQRTJZ-RAXLEYEMSA-N 445.519 5.166 30 20 IKED C=CC[C@@]1(C(=O)Oc2ccc(-c3c(C)noc3C)cc2)CCCN1C(=O)OC(C)(C)C 759910689 MJSIRNKHSSMOHF-DEOSSOPVSA-N 426.513 5.210 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)c1 760774812 WIYRXQHSVBTORP-NZQKXSOJSA-N 434.927 5.005 30 20 IKED CCOc1cc(/C=C/C(=O)c2c[nH]c3ncccc23)cc(Br)c1OC(F)F 761818040 QJJYFRCWSCZMSB-AATRIKPKSA-N 437.240 5.222 30 20 IKED COc1ccc(OCc2nc(/C=C\C(=O)c3cc(Br)ccc3F)cs2)cc1 763120550 ACFMFALCVLEWNN-OQFOIZHKSA-N 448.313 5.528 30 20 IKED COc1ccc(-c2ccc(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)c(F)c2)c(F)c1 764304123 VGRYZPKMWJNCCO-UHFFFAOYSA-N 443.793 5.326 30 20 IKED C[C@H](OC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccccc1NC(=O)c1ccccc1 766333998 LGXCGOIYBQEWGW-SFHVURJKSA-N 428.488 5.272 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(Cl)nc3C(F)(F)F)c2)cc1 766417766 BBNQXXOLOHIHBP-UHFFFAOYSA-N 445.828 5.651 30 20 IKED COc1cc([C@@H](C#N)NC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC 768143503 XBVBOBITEJSNRJ-OAQYLSRUSA-N 426.472 5.013 30 20 IKED CCCCOc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(Cl)c1 770846193 HNDODIZFZAPETN-OAHLLOKOSA-N 439.726 5.787 30 20 IKED N#C[C@H](C(=O)[C@@H](c1ccccc1)N1CCc2ccccc21)c1nc2ccccc2n1C(F)F 772642356 VFPYXQAZHVKJCV-AUSIDOKSSA-N 442.469 5.412 30 20 IKED N#Cc1ccc(/C=C(/Cl)c2nc(=O)c3sc(-c4ccc(F)cc4)cc3[nH]2)c(F)c1 772797878 QQSXUHTWGWFJLM-OVCLIPMQSA-N 425.847 5.538 30 20 IKED Cc1cc(CNC(=O)OC(C)(C)C)ccc1N(C(=O)c1ccc(C#N)c(Cl)c1)C1CC1 777690453 KXCSATDNUVAEFK-UHFFFAOYSA-N 439.943 5.354 30 20 IKED CC(C)(C)OC(=O)N1CCCc2c(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cccc21 779047344 WHTKWUCWGLMZLL-UHFFFAOYSA-N 443.547 5.175 30 20 IKED Cc1nc(-c2ccccc2)ccc1C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 780305902 QVKZNROFBWKKQA-IBGZPJMESA-N 437.471 5.333 30 20 IKED N#Cc1ccc(COC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)c(Cl)c1 784208279 BBGXJFZFUIGUSM-UHFFFAOYSA-N 435.892 5.250 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)[C@@H](C)c1ccc(Cl)s1)c1ccc(Cl)cc1Cl 787049991 NOKVJEKUAVAVQN-KWBADKCTSA-N 429.756 5.398 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCC(C(=O)c4ccc(F)cc4)CC3)c2)s1 789039324 VRJGSDJURMAATK-UHFFFAOYSA-N 447.535 5.230 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C(C)(C)c1ccc(Cl)cc1F 789218061 STBDGEZPCFWKDG-AWEZNQCLSA-N 448.947 5.333 30 20 IKED N#C[C@H](C(=O)[C@H]1CC(=O)c2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 789349697 ZWKSHOHAAUJBDP-JKSUJKDBSA-N 427.312 5.663 30 20 IKED N#C[C@@H](C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1)c1cnc2ccccc2n1 792107264 AGHWOZKJDUYPDJ-CJFMBICVSA-N 443.959 5.982 30 20 IKED FC(F)(F)CCCCNC(=S)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 794988037 BMXZNLYCDRUGCP-NSHDSACASA-N 426.348 5.506 30 20 IKED C=CC[C@@H](OC(=O)CS[C@H](C)C(=O)Nc1cc(C)on1)c1ccc(Cl)c(Cl)c1 797554050 OLWHGLUJOTZQQD-MLGOLLRUSA-N 443.352 5.211 30 20 IKED C=CCn1c(Cc2ccccc2)nn(CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1=S 800864807 RNQQJXQRRSXUSS-GOSISDBHSA-N 436.547 5.203 30 20 IKED C[C@@H](OC(=O)c1cc(C#N)ccc1Cl)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 803832342 ARQBNIKJHPUMSW-MRVPVSSYSA-N 432.090 5.356 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)n1 805891639 WBEMIINQGSCJOM-IEBWSBKVSA-N 441.597 5.735 30 20 IKED N#C[C@H](C(=O)CCSc1ccc(Br)cc1)c1cc(C(F)(F)F)ccn1 813218338 UYQQZVJNCMTUDR-AWEZNQCLSA-N 429.261 5.222 30 20 IKED CC(=O)N(c1nc(COC(=O)c2cscc2C#N)cs1)c1c(C)cc(C)cc1C 814612092 KISPSOKLIHXYQL-UHFFFAOYSA-N 425.535 5.043 30 20 IKED C[C@H](OC(=O)Cc1coc2ccc3ccccc3c12)C(=O)N(CCC#N)c1ccc(F)cc1 854944575 QJNNNCUOXNSBHZ-KRWDZBQOSA-N 444.462 5.146 30 20 IKED Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915086115 HGUYQBJJMFWEAN-UIOOFZCWSA-N 439.559 5.434 30 20 IKED N#C[C@H](C(=O)CCCc1nc(O)c2ccccc2n1)c1nc(-c2ccc(Cl)cc2)cs1 915101795 LAVRTMBKZFNOHR-QGZVFWFLSA-N 448.935 5.311 30 20 IKED C[C@@H]1CCc2[nH]c3ccc(C(=O)[C@@H](C#N)C(=O)Nc4ccc(Cl)cc4Cl)cc3c2C1 916928710 ROXSDBDXTSLEMT-SJKOYZFVSA-N 440.330 5.561 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(Cc3ccccc3)n2)cc1 916949458 OPNLBWHFMKAOCW-JTSKRJEESA-N 431.561 5.137 30 20 IKED N#C[C@@H](C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 917031081 OXGSDXYMQPAYGV-HSYZBZFNSA-N 449.551 5.052 30 20 IKED Cc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)c(C)n1C1CCCCC1 917031404 SIZVGLIPKIGDGY-UHFFFAOYSA-N 428.005 6.030 30 20 IKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc3ccccc3c2)s1 917698325 DKGHQCDXCLKZOC-OAQYLSRUSA-N 449.601 5.010 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)COc3ccc4ccc(=O)oc4c3)cc2Cl)cc1 917876534 JZMAKJHHOIKEAQ-UHFFFAOYSA-N 446.846 5.128 30 20 IKED N#CCOc1ccccc1C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F 920002723 GSPPOVGHINESFS-NRFANRHFSA-N 439.284 5.010 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)ccc3F)CCC2)cc1 1790563825 NSNYKCCEEXOAKX-HNNXBMFYSA-N 445.922 5.028 30 20 IKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)Cc4ccco4)CCC3)cc2)c1 1790795414 GJEXXZHDLRDWRF-LJQANCHMSA-N 441.531 5.086 30 20 IKED N#CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCCCCCc1ccccc1)C2 1795465981 HWVDYVATVHGQPH-QEIWAGNOSA-N 437.628 5.292 30 20 IKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(c1)c1ccccc1n2CC 1799317233 XWZGDESGPJHELC-UVUJQTEASA-N 443.591 5.278 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccnc1 1810175263 UMZDHVAPYQGDPG-CYXNTTPDSA-N 445.607 5.293 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCCCC2(F)F)CC1 1828822709 ZWQUHBPNYPMWQG-YPAWHYETSA-N 436.587 5.200 30 20 IKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)cc2Cl)CC1)C(F)(F)F 1831454834 IWSFMUCNZJYECU-IBGZPJMESA-N 442.909 5.000 30 20 IKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(Cc3ccc(F)cc3)c2)CC1 1831859808 YGYUSFBDZJIZNV-SANMLTNESA-N 448.582 5.226 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1ccc(-c3ccc(Cl)cc3)o1)C2 1844356022 FOQGEOZNROYJSJ-UHFFFAOYSA-N 440.971 5.409 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cccc(C)c2C)cc1 10168003 OMIWKJRYOXZNRK-UHFFFAOYSA-O 439.551 5.873 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(C)cc2C)cc1 10168607 DKWHRXJPAVVXLN-UHFFFAOYSA-O 439.551 5.873 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccccc1CC 10174242 WZPLLFNTMARIOT-UHFFFAOYSA-O 434.541 5.058 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2ccccc2Cl)cc1 10827799 BTMJERPLBLUQGK-UHFFFAOYSA-O 425.961 5.249 30 20 IKED C=CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccc(C(C)(C)C)cc1 14101721 CVKPAYAJEPSQRV-UHFFFAOYSA-N 448.592 5.362 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)CSc3ccc(Cl)cc3)s2)cc1 14621325 VJPPBGXSAJDFON-UHFFFAOYSA-N 432.983 5.086 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2cc(Cl)cc(Cl)c2)c1 15247984 GNCOALFJDIXOAO-UHFFFAOYSA-O 444.407 6.257 30 20 IKED N#CCCN(C(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1cccc(Cl)c1 17271416 JMOGYDYNNPRSHR-UHFFFAOYSA-N 443.985 5.034 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccccc2C)cc1 22695764 ZGWWHQIFLRFGLL-UHFFFAOYSA-O 425.524 5.564 30 20 IKED C=CCn1c(SCc2csc(N(C(C)=O)C3CC3)n2)nnc1-c1ccc(Cl)cc1 303505747 AKMIZKFVHNGXQM-UHFFFAOYSA-N 446.001 5.049 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)cc1 437379604 ZVOITYUAZNSNPN-MRXNPFEDSA-N 447.394 5.236 30 20 IKED Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 437515389 NBHUXWPXJZLENC-FYYLOGMGSA-N 446.576 5.203 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(CSc2ccccn2)c1 438138771 WMNNRFOXHAOSGP-XZOQPEGZSA-N 428.561 5.678 30 20 IKED C[C@@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 438844384 YDMUKRRYMBVGAX-DVECYGJZSA-N 426.520 5.344 30 20 IKED C=CCn1c(=O)c2ccccc2n2c(S[C@H](C)c3ccc4cc(OC)ccc4c3)nnc12 439278712 XLISHMHNRZLJLP-MRXNPFEDSA-N 442.544 5.245 30 20 IKED C[C@@H](Nc1ccc(Oc2ccccc2C#N)cc1)c1nc(Cc2ccc(Cl)cc2)no1 439579612 ZAACJZRIHCQDNB-MRXNPFEDSA-N 430.895 6.151 30 20 IKED COc1ccc2c(c1)CN(C(=O)N[C@H](CCC#N)c1ccccc1)[C@@H](c1ccccc1)C2 440249647 XLWIXVIIIBGHLI-CLJLJLNGSA-N 425.532 5.549 30 20 IKED C=CCC[C@H](NC(=O)NCc1cc(O)nc2ccccc12)c1ccc(C(F)(F)F)cc1 442241338 KOPGIHCVXLAMJK-IBGZPJMESA-N 429.442 5.466 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H](Oc2ccccc2Cl)C1 443643655 SFZFRCBIIOEOMD-QZTJIDSGSA-N 444.000 5.216 30 20 IKED CCOc1ccc([C@@H]2CCCN2C(=O)CSCc2ccc(C#N)cc2OC(F)F)cc1 447023966 RTOOUICSNZXYGL-FQEVSTJZSA-N 446.519 5.155 30 20 IKED C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 460375604 LVQJLJAANBBFHG-JOCHJYFZSA-N 436.556 5.131 30 20 IKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)[C@@H](C)c1cccc(C#N)c1 461722793 HKHHYRZCXGCLBL-SFHVURJKSA-N 434.561 5.360 30 20 IKED CC(=O)Nc1ccc(NC(=O)c2c(F)cc(C(F)(F)F)cc2F)c(C(F)(F)F)c1 463257581 JMOLMEJBPRYANC-UHFFFAOYSA-N 426.263 5.213 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)s2)c(F)c1 464422417 ZLLNZJDNSCYGPW-AWEZNQCLSA-N 435.402 5.170 30 20 IKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)c12 464472824 PZGDLLILKZEERR-INIZCTEOSA-N 440.356 5.241 30 20 IKED CSc1cccc([C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)c2cc(F)ccc2F)c1 466252235 NVZJMFWCCCDNPN-QHCPKHFHSA-N 437.515 5.489 30 20 IKED C[C@H](O)C[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1 468865013 FYFZEPZEMXXCFU-WMZHIEFXSA-N 430.573 5.135 30 20 IKED Cc1cc([C@H](NCc2nnc(-c3cccc(C#N)c3)o2)c2ccccc2Cl)ccc1F 471657616 IGDLZNRIPYRTSV-QHCPKHFHSA-N 432.886 5.588 30 20 IKED COc1ccc(-c2nc(SCc3ccccc3C(C)(C)C#N)n[nH]2)cc1Br 473536004 URJPQNPHIUNWKD-UHFFFAOYSA-N 443.370 5.336 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 473822483 ONJJEVQQBDZJIQ-OPAMFIHVSA-N 436.968 6.040 30 20 IKED C[C@@H](NC(=O)N1CCSC[C@H]1c1nccs1)c1ccc(-c2cccc(C#N)c2)cc1 474004000 AILHCXKRSJAIRK-IERDGZPVSA-N 434.590 5.242 30 20 IKED C=CCC[C@@H](NC(=O)N1CCSC[C@H]1c1nccs1)c1ccc(C(F)(F)F)cc1 474016591 JGESZJKHIRCBPZ-SJORKVTESA-N 441.544 5.669 30 20 IKED C[C@@H](C#N)CSc1ccccc1NCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 476363001 GIKSALCUIAVHFL-YWZLYKJASA-N 448.419 6.021 30 20 IKED Cn1cc(-c2cc(F)ccc2NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cn1 477714865 RNQRHSRFTUBCNT-UHFFFAOYSA-N 446.869 5.796 30 20 IKED CCN(c1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cn1)C(C)C 478551567 ZHWRHHSWXGXDMU-OAHLLOKOSA-N 426.492 5.208 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2cccc3ccccc23)cc1 478829640 BMAJMELMSMWAST-AREMUKBSSA-N 447.538 5.485 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccccc1COCc1ccccc1 480370132 ZSWXBAKMCAZREM-UHFFFAOYSA-N 426.969 6.338 30 20 IKED C=C(C)Cn1c(SCC(=O)N2CCCC[C@H]2c2ccc(C)cc2)nnc1-c1ccco1 481944420 RURSOTJBXMZBLM-FQEVSTJZSA-N 436.581 5.269 30 20 IKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCc3nnc(-c4ccsc4)o3)c2C#N)C1 483164955 FVYBWPYRIUGKPN-CQSZACIVSA-N 440.594 5.454 30 20 IKED Cn1cc([C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C(C)(C)C)cn1 483473724 USINJRVFCCHWPV-IFMALSPDSA-N 435.959 5.638 30 20 IKED CC(C)c1c(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cnn1-c1ccccc1Cl 485183988 SCIUKNSHVOZIMY-KNQAVFIVSA-N 447.970 5.953 30 20 IKED C[C@H](C#N)CSc1ccccc1NCC(=O)Nc1ccc(Br)cc1Cl 487388820 IVASOWLDYUURHK-GFCCVEGCSA-N 438.778 5.405 30 20 IKED N#Cc1cnc2c(F)cc(F)cc2c1NCc1cccc(NC(=O)c2ccc(F)cc2)c1 488213570 DYNXSAUFTYZRPS-UHFFFAOYSA-N 432.405 5.388 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(OCCOc2ccccc2)nc1 488481611 LDFHKNWNKPJGFW-UHFFFAOYSA-N 449.510 5.008 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nnc1-c1cccs1 489462938 LNCREZYLIXRPTI-HUUCEWRRSA-N 438.578 5.297 30 20 IKED N#C[C@H](C(=O)c1ccc(Br)c2c1OCCC2)c1nc2ccccc2n1C(F)F 489852887 KTSQGWJTOQTHDT-CYBMUJFWSA-N 446.251 5.009 30 20 IKED CCN(C(=O)CSCc1ccc(C#N)cc1)[C@H](c1ccc(Cl)cc1)c1cccnc1 496453190 XMLCTKLDNJMOFT-XMMPIXPASA-N 435.980 5.478 30 20 IKED CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 497456059 XDSNGNRXPYNMLO-UGKGYDQZSA-N 449.620 5.008 30 20 IKED N#C[C@H](NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1c(Cl)cccc1Cl 499835289 CQBRYNWNUYMGTF-IBGZPJMESA-N 442.277 5.379 30 20 IKED Cc1ccc(Oc2ccc(OCC(=O)Nc3nc(C)c(SCC#N)s3)cc2)cc1 504684631 KYKNMSPSJUFICM-UHFFFAOYSA-N 425.535 5.185 30 20 IKED C=CCCc1ccccc1NC(=O)NCCC(=O)Nc1ccc(Br)cc1C 505036829 ZVYSHXIOQGTLRR-UHFFFAOYSA-N 430.346 5.026 30 20 IKED CC[C@H](C(=O)N1CCC(NC2CCC(C#N)(c3ccccc3)CC2)CC1)c1ccccc1 507654718 WQKXTJSKWRGBHU-ONOXOHQJSA-N 429.608 5.165 30 20 IKED Cc1cc(Cl)c(NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)cc1Cl 507954864 KXUKAGLAXHSYJH-UHFFFAOYSA-N 444.278 5.240 30 20 IKED CC1(C#N)CCN(C(=O)N[C@@H](COc2cccc(F)c2)c2cccc(C(F)(F)F)c2)CC1 508239107 DEHIYWLWCCKZDW-FQEVSTJZSA-N 449.448 5.300 30 20 IKED N#Cc1c(NC(=O)c2ccc(CN3CCSCC3)cc2)sc2c1-c1ccccc1CC2 508976238 ICEOVNBHVCWNPV-UHFFFAOYSA-N 445.613 5.186 30 20 IKED C=CCn1c(-c2cccc3ccccc23)nnc1N(C)Cc1csc([C@@H](C)OCC)n1 508992577 ANCXFCYHMQLCPU-QGZVFWFLSA-N 433.581 5.475 30 20 IKED C=CCn1c(SC[C@H](OC)c2ccc(Cl)cc2)nnc1[C@@H]1COc2ccccc2O1 509099642 OKVSZLHVFNHFJS-PMACEKPBSA-N 443.956 5.110 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCN(c3ccccc3)C2)cc1Cl 510042554 HGHUBOMKIBLQKI-DVECYGJZSA-N 444.966 5.643 30 20 IKED COc1ccc(OC)c([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 510492236 QXIZMSQJWKOKJU-QGZVFWFLSA-N 431.492 5.559 30 20 IKED Cc1ccc([C@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C2CC2)cc1 511379343 BMCNGBFIBVAXMC-SANMLTNESA-N 425.532 5.913 30 20 IKED Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 511721435 SRGVJACRZUCBKT-ZDUSSCGKSA-N 428.279 5.044 30 20 IKED C=CCN(C(=O)c1ccc(C(C)=O)s1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 511954776 LXWWZEHVURSAEZ-UHFFFAOYSA-N 444.581 6.574 30 20 IKED COc1cccc(CN(C)C(=O)C[C@@H](CC#N)c2ccccc2)c1OCc1ccccc1F 512961521 SMPYRAMYJVKIPO-OAQYLSRUSA-N 446.522 5.459 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c(C)n1C1CCCCC1 513666223 KWEVRQVGKVCMBD-IBGZPJMESA-N 448.592 5.689 30 20 IKED Cc1ccc2nc(COc3ccccc3C(=O)[C@H](C#N)c3nc4ccccc4s3)cn2c1 513695733 KZKFBYFHUPECIR-IBGZPJMESA-N 438.512 5.322 30 20 IKED CC(=O)Nc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1F 516710699 OPSFODCJWLZCBC-CQSZACIVSA-N 448.306 5.704 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)[C@H](C)Oc1ccccc1C#N 518041690 WPQSERPQPMHWPF-HIFRSBDPSA-N 425.941 5.288 30 20 IKED C[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(Br)cc1C(F)(F)F 518502068 JLYLBBRDSBZADW-IFXJQAMLSA-N 425.292 6.554 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1CN1C[C@H](C)C[C@@H](C)C1 520478332 SFZCSQSOZAQXJT-FGZHOGPDSA-N 432.612 5.156 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(Oc4ccc(F)cc4F)CC3)cc2)cc1 520597747 DKHLZSWPQMFCIN-UHFFFAOYSA-N 449.457 5.704 30 20 IKED C=CCOc1c(Br)cc(CN[C@H](CC)c2ccc3c(c2)OCCO3)cc1OC 520949887 VXEMKGCCJQZCIL-GOSISDBHSA-N 448.357 5.035 30 20 IKED C=CCN(C(=O)Nc1cc(Cl)ccc1SCC)[C@H](C)c1cccc(-n2cnnn2)c1 521810600 VRTZQFMVMGGZTK-OAHLLOKOSA-N 442.976 5.209 30 20 IKED N#CCCn1ccc(NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)n1 522728799 XRTDPRYGKYHZTL-UHFFFAOYSA-N 431.927 5.024 30 20 IKED CC[C@@H](c1ccccc1)c1nnc(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)o1 524311915 POUSPOJKIVLIKT-UZLBHIALSA-N 438.528 5.178 30 20 IKED CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 524830369 RSSDUSUIJOIIHO-JOCHJYFZSA-N 430.508 5.759 30 20 IKED CC(=O)c1ccc2c(c1)CCN(C(=O)c1ccc(Sc3ccccc3C#N)cc1)CC2 535179688 FNZJTPSDRBMGDZ-UHFFFAOYSA-N 426.541 5.153 30 20 IKED CC(C)N(Cc1ccc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1)C[C@@H]1CCCCO1 541032742 HUBBYBLZEFUICX-NLFFAJNJSA-N 434.584 5.220 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NCc1nnc(-c2ccc(C#N)cc2)o1 542589734 GIPWKTLTIUUWAP-CYBMUJFWSA-N 435.940 5.544 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(CCCn4ccnc4)CC3)cc2)cc1 543965713 HUZWLLZBBFHBRF-UHFFFAOYSA-N 429.524 5.271 30 20 IKED C=CCOc1ccc(/C=C\c2nc(-c3ccc(OC4CCOCC4)cc3)no2)cc1OC 545795071 RAOHPMVTWUIYRI-WZUFQYTHSA-N 434.492 5.038 30 20 IKED N#CC(CCN1CCCC[C@@H]1c1nnc(C2CCC2)o1)(c1ccccc1)c1ccccc1 554274927 FADFINCJKCJNQT-XMMPIXPASA-N 426.564 5.764 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc3nc(C(F)F)sc3c2)c1 557145073 WVJXYSYQEUKQBP-UHFFFAOYSA-N 425.416 5.530 30 20 IKED C=CCC[C@@H](NC(=O)NCc1ccccc1Cn1ccnc1)c1ccc(C(F)(F)F)cc1 558606326 ZVEGTFRLMIMUOZ-JOCHJYFZSA-N 442.485 5.457 30 20 IKED CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 567315932 KUZQUCUWOGWXGI-QRQCRPRQSA-N 436.899 5.297 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@@H](C)Cc1ccccc1C(F)(F)F 569582462 UTKKIBOVIIVFAA-HOTGVXAUSA-N 435.515 6.195 30 20 IKED N#Cc1cc(NC(=O)N2CC[C@H](OC(F)F)C2)ccc1Oc1ccc(C(F)(F)F)cc1 577194909 WEWJPCXVSYHBNS-INIZCTEOSA-N 441.356 5.215 30 20 IKED C[C@@H](Nc1ccccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccccc1 577305096 OHSYQYQPMZSYDQ-OAQYLSRUSA-N 440.547 5.525 30 20 IKED N#CCc1ccccc1NC(=O)CC1(CC(=O)Nc2ccccc2CC#N)CCCCC1 578170078 PLMBRMAKGXJDJO-UHFFFAOYSA-N 428.536 5.127 30 20 IKED CCOc1ccc(-n2c(SCc3ccc(C#N)cc3F)nnc2-c2cccnc2)cc1 588762884 AFMRFVYJIWTBAH-UHFFFAOYSA-N 431.496 5.031 30 20 IKED N#C[C@H](NC(=O)C1(c2cc(F)cc(Br)c2)CC1)c1cccc(C(F)(F)F)c1 588952182 FKZUSIRPNIJCJT-INIZCTEOSA-N 441.222 5.020 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)cc1 592728191 ZFGINKLFAKMQDY-UHFFFAOYSA-N 443.475 5.576 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1NC(=O)c1ccccc1 592974236 PSSGIODCCRAENZ-SFHVURJKSA-N 429.476 5.486 30 20 IKED C[C@@H]1C[C@H]1c1ccc(CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C2CC2)o1 603690129 WJEYXUKXVCDKQL-OPAMFIHVSA-N 428.492 5.658 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H](c3ccccc3)c3ccco3)c2)cc1 603801637 DJHHQRVEAAZTNM-SANMLTNESA-N 437.499 5.836 30 20 IKED N#C[C@H](C(=O)c1cccc(I)c1)c1nc2cc(Cl)ccc2s1 603846304 MNBKBIJFANDZPJ-GFCCVEGCSA-N 438.677 5.044 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1 604336884 KEPCJSATRCSVCJ-QHCPKHFHSA-N 435.527 5.638 30 20 IKED CC(C)NC(=O)Nc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 609110843 VZHNNJXXEQVCHY-UHFFFAOYSA-N 446.482 5.059 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1 609427464 ACACOXCMHZHHIL-CQSZACIVSA-N 430.455 5.538 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N(Cc3ccco3)C3CCCC3)s2)cc1 609468915 AKVWBVWQXHKNDZ-UHFFFAOYSA-N 439.566 5.272 30 20 IKED C[C@@H](CC(=O)N[C@@H](C#N)c1ccccc1Br)c1ccc(C(F)(F)F)cc1 609591349 RXZPJADHCOVTEB-SJCJKPOMSA-N 425.248 5.343 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)cc1 609662263 ZLQRXXKKXDWDCC-UHFFFAOYSA-N 444.457 5.595 30 20 IKED Cc1csc(CCCCNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)n1 609731391 LUQYHQPUUARLGY-UHFFFAOYSA-N 425.941 5.522 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1)C1CC1 609863692 DRHDMWGFJPSBQJ-UHFFFAOYSA-N 441.556 5.473 30 20 IKED N#C[C@@H](C(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1nc2cc(Cl)ccc2s1 613407193 KZBCRAPYXMIHSH-SFHVURJKSA-N 437.952 5.959 30 20 IKED N#Cc1cnc2c(Br)cccc2c1N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 619651301 RXGWXACGGKPRDX-QWRGUYRKSA-N 438.169 5.046 30 20 IKED C=CCCOCC(=O)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 620173647 FKFKKBAPSLSDSN-UHFFFAOYSA-N 438.393 5.303 30 20 IKED C[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)c2ccccc12 673238193 AQYRIJJJITYFHS-UPJWGTAASA-N 436.371 5.812 30 20 IKED C[C@H](NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1c(F)cccc1Cl 674437251 GKLJNVWRKMVQCP-IVZWLZJFSA-N 434.783 5.749 30 20 IKED C=CCC[C@@H](NC(=O)N[C@H](C)c1ccc2nc(O)[nH]c2c1)c1ccc(C(F)(F)F)cc1 676760291 AGYMPRVHJNQYSV-CXAGYDPISA-N 432.446 5.355 30 20 IKED C=C(C)Cn1c(SCc2nc([C@@H]3CCc4ccccc4C3)no2)nnc1-c1ccco1 680772893 NCWDCWNLUFEVJE-GOSISDBHSA-N 433.537 5.062 30 20 IKED C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 685548284 FVYADQVHQPWPCW-MAUKXSAKSA-N 438.469 5.302 30 20 IKED C=C(C)COc1cc(/C=C2\SC(=S)N(c3ccc(OC)c(F)c3)C2=O)ccc1OC 726630751 XEJANZBBHKPQAQ-JMIUGGIZSA-N 445.537 5.204 30 20 IKED C=C(C)COc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(F)c3)C2=O)ccc1OC 726630753 XEJANZBBHKPQAQ-KEBDBYFISA-N 445.537 5.204 30 20 IKED N#CCOc1ccc(CNC(=O)[C@@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)cc1 730542879 AZXGNZHHYCYZFM-QFIPXVFZSA-N 441.314 5.332 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cc1c(Cl)cccc1Cl 731062438 KDRMPXYSLVICFD-CYBMUJFWSA-N 437.348 5.112 30 20 IKED Cc1ccc(-c2cc(CON=C(Cc3nc4ccccc4n3C)c3ccccc3)on2)cc1 731664651 VEBLYXNVMUKMKL-UHFFFAOYSA-N 436.515 5.700 30 20 IKED CC(C)[C@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)Nc1ccccc1Cl 732401137 CXPFLVAMFXXLRB-QFIPXVFZSA-N 449.894 5.219 30 20 IKED Cc1cc(C=Nn2c(S)nnc2COc2c(C)cccc2C)ccc1Oc1cccnc1 732712484 JPUROSZKRMUCCB-UHFFFAOYSA-N 445.548 5.141 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC[C@H]1c1ccc(F)c(F)c1 733038627 QDOKGDKBMUNFNO-VLXAULBPSA-N 444.366 5.721 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCc1ccc(OCC#N)cc1 733465641 MYKZUXLUHQGSJN-HNNXBMFYSA-N 442.924 5.262 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CC3(CCCC3)c3c(F)cccc32)ccc1OC 733653118 HTIJRSKBTPVETO-SFHVURJKSA-N 437.515 5.057 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H]2Cc2c(F)cccc2Cl)c1 733804269 BBIOFZSLMFJREN-QZTJIDSGSA-N 429.923 5.077 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1 734082161 YCMYTBAXVXNWJG-SFHVURJKSA-N 430.558 5.364 30 20 IKED C=CC[C@H](NC(=O)N(Cc1cc(Br)ccc1OCC)C1CC1)c1ccncc1 734683753 PWXZIUONCUPELT-FQEVSTJZSA-N 444.373 5.234 30 20 IKED CCOc1cc(/C=C/C(=O)c2cnccn2)cc(Br)c1OCc1ccccc1 734751745 XOOAVIFETRYZAR-CMDGGOBGSA-N 439.309 5.113 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCS[C@H](c3ccccc3)C2)c1=S 738245137 KIKWNBLWMZRBIM-NRFANRHFSA-N 438.622 5.023 30 20 IKED N#CC1CCC(COC(=O)c2ccccc2NC(=O)c2ccccc2Br)CC1 755972649 BYMATIPTMYUGEH-UHFFFAOYSA-N 441.325 5.188 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1ccc(F)c(F)c1)c1nc(-c2c(F)cccc2F)cs1 756259827 YVHFZGANPIMPNK-LBPRGKRZSA-N 432.398 5.206 30 20 IKED Cc1ccc(F)cc1NC(=O)C=NO[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 757622498 KCUUJLYJRHZDKL-NSHDSACASA-N 437.258 5.193 30 20 IKED CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)[C@@H](C#N)c1nc(C(C)C)cs1)OCC3 759410134 QKEHAHNKEKDGJO-KBMIEXCESA-N 435.593 5.755 30 20 IKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(C2CC=CC2)C1=O 759692607 DITRJALKYCTQKX-JOCHJYFZSA-N 449.576 5.154 30 20 IKED Cc1ccccc1-c1nnc(S)n1N=Cc1cccc2c1N(C(=O)OC(C)(C)C)CCC2 761804801 HCZTVCDFLWFGEN-UHFFFAOYSA-N 449.580 5.112 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cc(C)ccc2OC(F)F)cs1 762605781 ZKAAAODKQGPNJE-RMKNXTFCSA-N 446.450 5.773 30 20 IKED CC(=O)N(c1nc(/C=C2/C(=O)c3ccccc3[C@H]2C(C)C)cs1)c1ccc(F)cc1F 766505081 GLJJMJKJEGWGPR-ZVYKEMNCSA-N 438.499 6.125 30 20 IKED COc1ccc(Cn2nc(C)c(/C=C3/SC(=Nc4c(C)cccc4C)NC3=O)c2C)cc1 767340560 BDDKYRUCDPSLMU-LPYMAVHISA-N 446.576 5.065 30 20 IKED Cc1ccc(Cn2nc(C)c(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)c2Cl)cc1 768173210 BNDNSJBLQBQMKP-SFHVURJKSA-N 446.860 5.215 30 20 IKED Cc1cccc(C2(O)CCN(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CC2)c1C 768369257 DHJBUNWRHBWGKY-UHFFFAOYSA-N 445.588 5.097 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H](C)c2cnn(-c3cc(C)ccc3C)c2C)ccc1OC 772987440 VQIPBPVYORFIBE-DENIHFKCSA-N 432.568 5.338 30 20 IKED C=C(C)[C@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(F)c(F)c1 773532970 QWOCLTGDVKIZDO-QFIPXVFZSA-N 434.446 5.752 30 20 IKED C[C@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 777176026 DRWGGVCWDODZRZ-LBPRGKRZSA-N 428.275 5.517 30 20 IKED C[C@H](NC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2cccc(C#N)c2)cc1 777817856 DOUIQMAJZQTEQU-ICSRJNTNSA-N 433.552 5.050 30 20 IKED N#Cc1cc(N[C@@H](c2ccc(F)cc2)c2ccccc2Cl)ccc1N1CCC(O)CC1 779160487 XPSPEPGEHZYBBF-VWLOTQADSA-N 435.930 5.513 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1csc(-c2ccc(F)c(F)c2)n1 780306267 TVHYZHZWGGDILK-INIZCTEOSA-N 433.439 5.203 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)Nc1ccccc1O[C@@H](C)C#N 780670853 RDRZINFZZFLOIO-DZGCQCFKSA-N 440.956 5.946 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1c(Cl)ccc2cccnc12 781121108 WJSQCHWSVBZTJC-UHFFFAOYSA-N 430.920 5.517 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cccnc2-c2csc(C)c2)ccc1OC 782892247 ASQJXKFHOBIZHQ-GOSISDBHSA-N 436.537 5.130 30 20 IKED Cc1c(C(=O)[C@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cnc2ccccc12 787053317 QJWMEVXIAUIURC-DYVFJYSZSA-N 426.303 5.050 30 20 IKED C#C[C@@H](CCC)N1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccsc1 790747848 HCDPQNMWOOAGHL-AZUAARDMSA-N 439.606 5.127 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnn(Cc3ccccc3)c2Cl)cc1 796793202 PKEQVHGYBYKPGG-OXQOHEQNSA-N 434.927 5.059 30 20 IKED O=C(/C=C/Sc1cc(F)ccc1F)NC1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 797827070 TVWZZHOVJLFUSR-XWCLBKHXSA-N 433.364 5.596 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@](CO)(c2ccccc2)C1 801621869 PCUADPDQKIUZGG-HHHXNRCGSA-N 441.531 5.217 30 20 IKED C#CC[C@H](Cc1ccccc1)NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 803522354 CSNQYBAQFCTEKM-LJQANCHMSA-N 428.479 5.122 30 20 IKED COc1cccc(NC(=O)[C@H](C#N)C(=O)COc2ccc(Cl)cc2C2CCCCC2)c1 916892359 ZRBSVADORRRHFM-OAQYLSRUSA-N 440.927 5.123 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)COc1ccccc1Cc1ccccc1 916904218 YMVVMKUFQHERKH-XMMPIXPASA-N 440.543 5.129 30 20 IKED Cc1ccc(/C=C/C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)c(Br)c1 916916629 YGHXCGFYEQXRIH-TZZQJPOUSA-N 433.305 5.272 30 20 IKED Cc1ccc2c(C=Nn3c(C)nc4scc(-c5ccc(Cl)cc5)c4c3=O)c[nH]c2c1 917536293 OASAYDLJTFBQDU-UHFFFAOYSA-N 432.936 5.759 30 20 IKED CCc1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)N[C@H](C)c2ccccc2)cc1 917613277 RESAEXIAIPXGRW-QGZVFWFLSA-O 448.612 5.093 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1Cl 920111259 KEUNHUSWPPGQCB-WBMJQRKESA-N 438.833 5.209 30 20 IKED CCCN(Cc1nc(O)c2sccc2n1)C(=O)Nc1ccccc1SC[C@H](C)C#N 1318333492 GVKFONLCRFEROF-CQSZACIVSA-N 441.582 5.093 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)oc3C(F)(F)F)cc2)CCC1 1787399691 XVUDJHMFLFWZJT-AWEZNQCLSA-N 434.458 5.567 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4cccs4)cc3)CCC2)c1 1788232158 GYQBAHOEIZIQHD-GOSISDBHSA-N 443.572 5.366 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cn4ccccc4n3)CCC2)cc1 1789626222 NFWWAFCTRWSHCO-UHFFFAOYSA-N 430.552 5.074 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccoc4)CCC3)cc2)c(Cl)c1 1790767714 JCMDVTGJAPEDLO-UHFFFAOYSA-N 447.922 5.185 30 20 IKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2c(C)cc(C)cc2C)[C@@H]1c1cccnc1 1803090026 UTTICMWEWAURQW-AOYPEHQESA-N 445.607 5.095 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C[C@H](C)c2ccccc2)[C@H]1c1cccnc1 1810503085 NEOUGRPIOTZUGE-CVJWPJSTSA-N 447.623 5.274 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)ccc2C)[C@@H]1c1cccnc1 1813772227 BZLBGCRYXWMTPS-VWNXMTODSA-N 433.596 5.010 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ccn(C)c23)n[nH]1 1818724143 ABXNFPKCHWXYKI-OAQYLSRUSA-N 447.583 5.200 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)ccc2C)CC1 1823890954 GHIFVNLRCYGSPN-DEOSSOPVSA-N 426.576 5.136 30 20 IKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2C)CC1 1823912712 OAZBLAJEGVATQJ-QHCPKHFHSA-N 429.004 5.075 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1 1828461323 YOEXUCIWIHETRU-SSXAXAPESA-N 428.661 5.425 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccsc3[nH]2)CC1 1830886119 DHPIPTSAZZZMTP-IFMALSPDSA-N 439.625 5.231 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc(F)c2F)CC1 1831572695 FYSLDNKZJCSPHX-JOCHJYFZSA-N 446.582 5.119 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)cc2Cl)CC1 1832030995 CFKPHAVAYDZDIU-HSZRJFAPSA-N 429.004 5.075 30 20 IKED COc1cc(/C=C(\Cl)c2nc(O)c3cc(-c4ccccc4)sc3n2)ccc1OCC#N 18065233 BZVYLSDFLGEITM-BOPFTXTBSA-N 449.919 5.712 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nn(-c2ccccc2)c(=S)s1 23500134 NUEGPARBILWOFQ-CQSZACIVSA-N 433.649 5.420 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2cccc(Cl)c2C)cc1 23603502 KGLOJKGYFVWMTF-UHFFFAOYSA-O 426.993 5.494 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(COc2ccc(Cl)cc2)o1 23617792 SPNPHCIQPAAJDK-CQSZACIVSA-N 449.985 5.059 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(COc2cc(C)ccc2C)o1 23972615 HMIIJVCFFYDDJC-QGZVFWFLSA-N 443.594 5.022 30 20 IKED C=CCn1c(SCc2nnc(-c3ccc(Br)s3)o2)nc2ccccc21 27717370 BXZQZLSDMNHDSX-UHFFFAOYSA-N 433.356 5.389 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)nc2ccccc2c1=O 28678131 FTLOVWGKRPSSKU-GOSISDBHSA-N 441.556 5.369 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1ccccc1[C@H](C)CC 32787999 MJSIMEPUKXSABP-MOPGFXCFSA-N 434.609 5.688 30 20 IKED CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 62407383 WPMGXVOCCFQIGX-UHFFFAOYSA-N 432.499 5.085 30 20 IKED CC(C)CC(=O)Nc1cccc(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 97547546 AUSLEWRIVNUPDV-UHFFFAOYSA-N 427.504 5.265 30 20 IKED C=CCN(C(=O)c1csc(-c2ccccc2OC)n1)c1nc(-c2ccccc2)cs1 109453855 RJLHNPSCERCONV-UHFFFAOYSA-N 433.558 5.775 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3ccco3)C2=O)c1 255491535 VFXVNEBFPBXEGZ-QFIPXVFZSA-N 447.560 5.365 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1 303812410 CFSBICRCRSAQEE-UHFFFAOYSA-N 442.519 5.082 30 20 IKED N#C[C@@H]1CC[C@H](Sc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)C1 430120303 HCKTTYRLOFXBAV-CABCVRRESA-N 429.343 5.133 30 20 IKED N#CCSc1cccc(C(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)c1 430618282 SJJXFKKAKRFMBP-UHFFFAOYSA-N 443.450 5.438 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)s1 430628253 VCQOXFYIVKPNGP-LLVKDONJSA-N 447.347 5.820 30 20 IKED O=C(CN[C@H](c1cc(F)ccc1F)C(F)F)Nc1c(Cl)cccc1C(F)(F)F 434661182 CSSNDXGODFQAAC-CQSZACIVSA-N 428.735 5.172 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1)c1ccccc1 435592478 HOEYUHVNUHYDGQ-QHCPKHFHSA-N 434.561 5.490 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 436324936 MVCAEVWYTVYPCB-QPPBQGQZSA-N 425.463 5.402 30 20 IKED N#Cc1ccc(NC(=O)N2CCC[C@H]2c2cccc(Br)c2)cc1C(F)(F)F 438641362 LWOVGNBHCXCVLR-KRWDZBQOSA-N 438.247 5.709 30 20 IKED C[C@@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)cc1 438790730 FGFJQPZZVNKMMU-GOSISDBHSA-N 429.545 5.009 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)C(=O)Nc2ccccc2SCCC#N)c(C)c1 438830834 PXUPOPAIFNDSJP-MRXNPFEDSA-N 427.595 5.469 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)Nc1ccc(OCC2CC2)cc1 440372724 OJGRYLPSUQAPJA-UHFFFAOYSA-N 441.487 5.025 30 20 IKED CC[C@H](NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1nc(C(F)(F)F)cs1 442189912 QJADLYUVURTZCF-JTQLQIEISA-N 438.353 5.205 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)C1(c2ccccc2)CCCC1 442522658 QSOJBQLECWXCKM-RTBURBONSA-N 435.593 5.036 30 20 IKED C=CC[C@H]1N(C(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)CCCC1(C)C 443867388 KJYSQYKGVDKURR-GOSISDBHSA-N 436.383 5.959 30 20 IKED CC[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nnc2n1CCCCC2 444392705 BNJKJOTVLKYXSO-LJQANCHMSA-N 448.502 5.080 30 20 IKED N#Cc1ccccc1Cn1cccc1CNc1ccc(C(=O)NCc2ccccc2F)cc1 446886824 KOUKQSQHDPTTJR-UHFFFAOYSA-N 438.506 5.089 30 20 IKED COc1cc(C[S@@](=O)Cc2ccc(C)cc2Cl)ccc1OCc1cccc(C#N)c1 447088141 QSOJKNGYBXGQOG-SSEXGKCCSA-N 439.964 5.557 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCc1nc2cc(Br)ccc2s1 463524851 JJNAXDUNQHJUCI-UHFFFAOYSA-N 442.382 5.300 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCc2nc(-c3ccccn3)cs2)cc1 464969359 ACSLAAGGETXFIW-UHFFFAOYSA-N 440.528 5.150 30 20 IKED C[C@@H](Cc1ccc(Br)c(F)c1)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 468765115 AKHIZBGHZBBMSN-HNNXBMFYSA-N 444.348 5.214 30 20 IKED C[C@@H](Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1)C(=O)NC1(C#N)CCC1 469074777 SPOPHXAGCOKTSH-CYBMUJFWSA-N 426.929 5.105 30 20 IKED Cc1c(COc2ccccc2)cccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 472877661 RWONSRRTQYYXOH-UHFFFAOYSA-N 441.531 5.521 30 20 IKED CCCc1c(NC(=O)C2(c3ccccc3Br)CC2)cnn1-c1cccc(C#N)c1 476684732 IKGSKEQKCOFRHY-UHFFFAOYSA-N 449.352 5.129 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)C1c2ccccc2-c2ccccc21 477727621 YLOHFPLNGBYEAC-GOSISDBHSA-N 427.573 5.721 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1 480113106 BZMUIHWYGVSRSY-HXUWFJFHSA-N 429.524 5.115 30 20 IKED C=C(C)[C@H](NC(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C)c1ccc(F)c(F)c1 480388047 ORRBIAZNPYDGNU-QHCPKHFHSA-N 435.474 5.964 30 20 IKED CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)cc1 483271368 QATDSEYUXMEHLA-IBGZPJMESA-N 440.547 5.590 30 20 IKED CC(C)c1c(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cnn1-c1ccc(Cl)cc1 485148066 OUWSKXMOIOOIBR-UHFFFAOYSA-N 433.943 5.717 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C(C)C 485191054 HTVMYNYRILCECD-UHFFFAOYSA-N 433.943 5.741 30 20 IKED CCc1c(NC(=O)N[C@H](CCC#N)c2ccccc2)cnn1-c1cccc(C(F)(F)F)c1 485356583 ZCWSEQPZUNXYEM-LJQANCHMSA-N 441.457 5.620 30 20 IKED N#Cc1ccccc1-c1ccc(CN2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)cc1 486838072 GOOCZFRXTVHAQO-UFHPHHKVSA-N 447.542 5.224 30 20 IKED N#CCCC[C@@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1ccccc1 487213238 VHMQPSQHVFOUPI-HSZRJFAPSA-N 438.531 5.167 30 20 IKED COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 487871059 IJJPSGNKLRJEIE-KRWDZBQOSA-N 441.837 5.004 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(COC4CCOCC4)c3)n2)cc1 487903048 BXGJAYCUHWQDJZ-JOCHJYFZSA-N 448.544 5.004 30 20 IKED N#Cc1ccc(N2CCC[C@H](NC(=O)Nc3ccc4nc(C(F)F)sc4c3)C2)c(F)c1 493145034 FPAMNUMIHGBRTJ-AWEZNQCLSA-N 445.470 5.035 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CSc1ccc(C(F)(F)F)cn1 500745630 RVMZPASTEMIUIX-UHFFFAOYSA-N 443.450 5.804 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CCC[C@H]3OC(F)F)cc2Cl)c1 503067050 ZROFVXNCLYBTTO-IEBWSBKVSA-N 435.858 5.072 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2)cc1 503540480 RLQNNSWZFRVBPN-HSZRJFAPSA-N 446.491 5.836 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)CC 504283090 YZYYHAIBSPPHKG-KRWDZBQOSA-N 438.622 5.925 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CSc2ccc(C(F)(F)F)cn2)cc1 509673872 RRGBGTZFQONUGO-UHFFFAOYSA-N 429.423 5.495 30 20 IKED CN(Cc1ccc2ccccc2c1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510224373 SMGASNIZMVGBKT-UHFFFAOYSA-N 445.573 5.519 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC(Cc4ccccc4)CC3)c2)c1 511478795 UDLXENZALXYSBE-UHFFFAOYSA-N 438.531 5.297 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 513238121 IYYLALZGLUBKOZ-QFIPXVFZSA-N 427.573 5.104 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1ccc(OC(F)(F)F)cc1 513347022 BSWJDBBJRJKXBI-INIZCTEOSA-N 440.535 5.244 30 20 IKED Cc1cccc(COc2cccc(CC(=O)Nc3ccccc3SC[C@@H](C)C#N)c2)c1 518143404 JPHHSYFDVZWYCB-FQEVSTJZSA-N 430.573 6.007 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)cc2)cc1 519053741 RDVRZHFAWOPCAD-JOCHJYFZSA-N 440.528 6.329 30 20 IKED C=CCN(C(=O)c1ccc(OCc2cc(C)on2)c(Br)c1)c1ccccc1 521390482 GRMZPRDQTYNLHQ-UHFFFAOYSA-N 427.298 5.157 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)CC1 521965347 DVMGOVWIJSPGGL-UHFFFAOYSA-N 428.454 5.115 30 20 IKED N#Cc1cccc(COc2cccc(CN[C@@H]3CCN(c4ccccc4OC(F)F)C3)c2)c1 522649888 GQBRMFGQEGKQRR-JOCHJYFZSA-N 449.501 5.107 30 20 IKED N#C[C@@H](C(=O)c1ccnc(Oc2ccccc2)c1)c1nc(-c2ccc(Cl)cc2)cs1 523351013 IHYMOLBBKXAFDF-IBGZPJMESA-N 431.904 6.141 30 20 IKED COc1ccc(Br)c(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 524565898 JGBROWBASBUJLS-ZDUSSCGKSA-N 434.359 5.031 30 20 IKED CC(C)S(=O)(=O)Cc1ccc(NCc2cccc(OCc3cccc(C#N)c3)c2)cc1 533210900 BTGGWNNCLAVAAG-UHFFFAOYSA-N 434.561 5.073 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1CCC(F)(F)F 533925154 QKJSAPKJSDAGPF-UHFFFAOYSA-N 425.410 5.801 30 20 IKED Cc1cc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)ccc1NC(=O)c1cccs1 534735269 KBICFVDAWLUSMC-UHFFFAOYSA-N 443.553 6.161 30 20 IKED CCS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 535228778 DLOJEFDSGNKBSJ-UHFFFAOYSA-N 448.544 5.024 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 538258177 VNWKFZCTLGYERP-IAGOWNOFSA-N 445.588 5.462 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC1(c2ccc(Br)cc2)CC1 539280318 XQGICDVCQWEKDR-HNNXBMFYSA-N 444.398 5.061 30 20 IKED CN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H]1CCSc2ccc(Br)cc21 539615259 JHANIWUXCVMPLQ-SFHVURJKSA-N 427.367 5.313 30 20 IKED N#CC1(c2ccccc2)CCC(Nc2ccc(NC(=O)CCN3CCCCC3)cc2)CC1 539934373 JZZCUAJZUSPZKV-UHFFFAOYSA-N 430.596 5.317 30 20 IKED C[C@@H](NC(=O)c1cc(NC(=O)N(C)C)ccc1Cl)c1ccc(-c2cccc(C#N)c2)cc1 542930464 MORNSORCEKSWGO-MRXNPFEDSA-N 446.938 5.463 30 20 IKED Cc1nn(CCC#N)c(C)c1CCc1nc(C(F)(F)c2ccc(Cl)c(Cl)c2)no1 547259818 FTWLMBJTPIBKKD-UHFFFAOYSA-N 440.281 5.029 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)[C@H](Sc2ccc(F)cc2F)c2ccccc2)CC1 548835266 LNSJVSREJGJYOJ-HSZRJFAPSA-N 449.526 5.277 30 20 IKED CC(C)C(=O)c1ccc([C@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 548955216 XVHHTUOKCRAKJD-FQEVSTJZSA-N 440.543 5.913 30 20 IKED COC(=O)c1scc(-c2ccc(C)cc2)c1NC(=O)c1cc(-c2cccc(C#N)c2)no1 554774334 FSDXSKQGMJXXAT-UHFFFAOYSA-N 443.484 5.289 30 20 IKED N#CCCN(C(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 561822167 CILDSOZDWYSIFR-UHFFFAOYSA-N 448.445 5.069 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)N(Cc1ccccc1)c1ccccc1 577194883 SIFVVUCOUIMVAV-UHFFFAOYSA-N 441.918 5.068 30 20 IKED COCc1cc(CNCc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)ccc1F 594053255 FJTLRKPXNVVBEN-QGZVFWFLSA-N 425.344 5.134 30 20 IKED C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1 603992218 KGNKGLWTFIFPKE-AUUYWEPGSA-N 427.529 5.232 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c1 604929667 LJWGQZORQXDMHD-QGZVFWFLSA-N 447.878 6.243 30 20 IKED C[C@H]1CCCN(Cc2ccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cc2)C1 609057241 GEGHGDALTQLFRV-IBGZPJMESA-N 429.520 5.214 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(Nc2ncccn2)c1 609072275 IBYDPJKBCOLLQL-UHFFFAOYSA-N 435.487 5.232 30 20 IKED CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 609078548 XZXZJWXADYEDQB-SFHVURJKSA-N 442.519 5.287 30 20 IKED CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 609219658 JMDDAZOYRQKSMW-UHFFFAOYSA-N 449.532 5.136 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 609378210 VOMOUIRANWLWNV-CYBMUJFWSA-N 448.445 5.534 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCCCC1CCCCC1 609404369 BOGHQVBNAILFFZ-UHFFFAOYSA-N 441.519 5.126 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 609427531 HKEMPHBYMAWCQC-AWEZNQCLSA-N 437.546 5.114 30 20 IKED Cc1cnc(-c2cccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)c2)o1 609430611 CSPKCEKLLVOASD-UHFFFAOYSA-N 425.513 6.066 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 609436817 GXJBNFBAJFANRS-VFNWGFHPSA-N 442.009 6.707 30 20 IKED C[C@H](CC(=O)N[C@@H](C#N)c1ccccc1Br)c1ccc(C(F)(F)F)cc1 609591342 RXZPJADHCOVTEB-PXAZEXFGSA-N 425.248 5.343 30 20 IKED N#Cc1ccc(N2CC[C@@H](Nc3ccc(Oc4ncc(Cl)cc4Cl)cc3)C2=O)cc1 609633590 WGWOGLZYWXGAJN-HXUWFJFHSA-N 439.302 5.270 30 20 IKED C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 609724786 LXPTUYBXFKOHCW-OSPHWJPCSA-N 432.907 5.606 30 20 IKED C[C@@H](NC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cccc(C#N)c1 610317916 BOMYCEHGAQGTTK-CYBMUJFWSA-N 430.455 5.507 30 20 IKED Cc1[nH]nc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1-c1cccc(Cl)c1 610354483 AZWHLUVORSWQFJ-UHFFFAOYSA-N 427.895 5.906 30 20 IKED CCn1c(NC(=O)c2c(Cl)cc(C#N)cc2Cl)nc2cc(Br)ccc21 611283680 QXSFHYYMLSUIRT-UHFFFAOYSA-N 438.112 5.249 30 20 IKED N#Cc1ccc(CN[C@@H](CC(F)(F)F)c2ccc(Br)cc2)c(OC(F)F)c1 612536447 SPQHZWQRQDXSLO-HNNXBMFYSA-N 449.217 5.705 30 20 IKED C=CCn1c(S[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)nnc1-c1ccncc1 613905155 AVZQQGFBBAXFOM-GOSISDBHSA-N 441.560 5.632 30 20 IKED CCCN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@H]1CCCc2cccnc21 614137643 PGORUTOKJZJCPO-QFIPXVFZSA-N 427.508 5.462 30 20 IKED C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 670215988 KTGFGYSWRYLBOE-OKILXGFUSA-N 436.375 5.146 30 20 IKED O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674624358 YRLXDRSGYYBIIA-HZSPNIEDSA-N 446.338 5.048 30 20 IKED N#C[C@@H](C(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1nc2ccccc2n1C(F)F 726323068 XESGACZTIRUZDX-AWEZNQCLSA-N 447.401 5.037 30 20 IKED COc1ccc(NC(=O)c2ccc(NC(=S)Nc3ccc(C#N)c(Cl)c3)cc2)cc1 726435372 RDEPGUBUKPVOOQ-UHFFFAOYSA-N 436.924 5.281 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(CCCCC#N)C2=O)c1 728779268 XNBJHKZPGWQOJP-JOCHJYFZSA-N 448.592 5.266 30 20 IKED CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 731461650 VMGTZQUNKNGAMN-UHFFFAOYSA-N 440.908 5.050 30 20 IKED C=CCN1C(=O)N[C@H](c2ccc(C)c(F)c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 731492284 BKQKLTZFGSVTNP-HXUWFJFHSA-N 447.432 5.318 30 20 IKED Cc1cc(Cl)ccc1NC(=O)CON=C(Cc1nc2ccccc2n1C)c1ccccc1 731664255 GAERCYCRJKIDKP-UHFFFAOYSA-N 446.938 5.137 30 20 IKED CCCOc1nc2ccccc2cc1/C=C\C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12 731768649 PCKPKCFETKHXHG-SYKNXGGPSA-N 449.510 5.538 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cccc(COc2ccc(C)nc2)c1 734079195 NFEKRVXMCYTNTE-XMMPIXPASA-N 441.531 5.055 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1nc2ccccc2s1 734211216 RWOSESMUSWJTEE-QGZVFWFLSA-N 442.544 5.938 30 20 IKED Cc1cccc(COc2c(C)cc(CN(C)C(=O)Cc3ccc(OCC#N)cc3)cc2C)c1 734344755 DCHXQGQGAMONGS-UHFFFAOYSA-N 442.559 5.294 30 20 IKED N#C[C@H](C(=O)CCCCCNC(=O)NC1CCCCC1)c1nc(-c2ccccc2)cs1 734706731 TWOANZXCZQCNPV-HXUWFJFHSA-N 438.597 5.179 30 20 IKED N#CCOc1ccc(Cl)cc1CN1CCc2[nH]c3ccc(Br)cc3c2C1 735308962 AAQIHDNALIMRED-UHFFFAOYSA-N 430.733 5.044 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(OC2CCCCC2)cc1 735593791 RBGVTXACHLHTIU-SFHVURJKSA-N 431.319 5.666 30 20 IKED Cc1ccc2[nH]cc(C=Nn3c(C)nc4scc(-c5ccc(Cl)cc5)c4c3=O)c2c1 735610724 UYJJYAIHKBHQMP-UHFFFAOYSA-N 432.936 5.759 30 20 IKED COc1cc(C(=O)/C=C\c2c(C)nn(Cc3ccc(Cl)cc3)c2C)cc(OC)c1OC 740763370 AQOJBVIBYSMGOM-KHPPLWFESA-N 440.927 5.124 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)c2ncc(-c3ccccc3)o2)cc1C 741316930 XTHMQBIRBSHWIN-IBGZPJMESA-N 440.503 5.654 30 20 IKED O=C(/C=C/c1csc(-c2ccsc2)n1)c1ccc(S(=O)(=O)C2CCCC2)cc1 741447558 OGHRLNHXMZOJBM-JXMROGBWSA-N 429.588 5.484 30 20 IKED C[C@@H](C#N)Oc1ccc(CNCc2ccc(Oc3ccccc3C(F)(F)F)nc2)cc1 742379120 RHPXFACEIQOBQF-INIZCTEOSA-N 427.426 5.473 30 20 IKED Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3cnc(-c4ccccc4)[nH]3)cc2)cc1 742429312 LOCBTIOHSDVDNR-DTQAZKPQSA-N 443.528 5.082 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)Cc2ccc(OCC#N)cc2)nc1-c1ccccc1 742693437 BKCWEXFLUPWUHS-QFIPXVFZSA-N 429.520 5.274 30 20 IKED Cc1cc(SC(C)(C)C)ccc1NC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 743137575 UYCGBRNPTDURDK-UHFFFAOYSA-N 438.597 5.362 30 20 IKED C=CC[C@H](NC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)c1ccncc1 746270020 QKRHPKQSDALGQT-VWLOTQADSA-N 432.523 6.376 30 20 IKED CC(C)(C)Oc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 751152514 OHCILIIKENCJBA-NRFANRHFSA-N 428.488 5.617 30 20 IKED COc1ccccc1Nc1nn(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(=S)s1 751932391 OOEPXHYHKGWNTG-IEBWSBKVSA-N 437.594 5.156 30 20 IKED O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)OCC#Cc1ccc(Cl)cc1Cl 760309666 XAZOSXUNFBSGHE-UHFFFAOYSA-N 435.694 5.224 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1ccc(-c2ccc(Br)cc2)s1 760785951 JQMHVVKVNQRBGM-UHFFFAOYSA-N 431.286 5.471 30 20 IKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2cccc(Cl)c2)=C(/O)c2ccc(C#N)cc2)cc1 762444782 GWEHEINSOWKTPP-UHFFFAOYSA-O 448.999 6.120 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)O[C@H]2CCO[C@@H](C3CCOCC3)C2)c1 763147056 KONBMZJZCJRIAG-WMZHIEFXSA-N 441.911 5.135 30 20 IKED COc1ccc(-c2ccc(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)c(F)c2)cc1 764306274 HUWPBNUCRBQZCV-UHFFFAOYSA-N 425.803 5.187 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN2CCC[C@H]2c2ccccc2C(F)(F)F)c1=S 764970002 DKRBQDSTSASUTC-IBGZPJMESA-N 445.514 5.475 30 20 IKED CC(C)c1ccc(N2Cc3ccc(NC(=O)Cc4ccc(OCC#N)cc4)cc3C2)cc1 771801034 MZWVUAKTKCTNLM-UHFFFAOYSA-N 425.532 5.414 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)Nc1ccccc1O[C@H](C)C#N 780178396 SRZNWGATXOBYNB-CYBMUJFWSA-N 443.334 5.268 30 20 IKED COc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c(Cl)c1 780314642 JYXUYUNCFPLMFO-CQSZACIVSA-N 433.316 5.451 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)C(C)(C)Cc2ccc(C(F)(F)F)cc2)ccc1OC 786182946 HOLOOVHZUCAAHS-LJQANCHMSA-N 448.485 5.280 30 20 IKED Cc1nc2sccc2c(=O)n1N=Cc1ccc(Oc2cccc(Br)c2)cc1 787152853 LRPMBGVIKGIPFZ-UHFFFAOYSA-N 440.322 5.203 30 20 IKED N#C[C@H](C(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1)c1nccc2ccccc12 792098133 BKIOPNNPZOQVGC-NBGIEHNGSA-N 430.479 6.223 30 20 IKED CC(C)[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccnc1 797943548 SKPCNAOHDHBMBH-LPHOPBHVSA-N 430.360 6.128 30 20 IKED CN(C)c1ccc([C@@H](CNC(=O)/C=C\c2ccccc2C#N)c2c[nH]c3ccccc23)cc1 799649789 MIMDXHRXCOZHHG-NDRLBKOSSA-N 434.543 5.067 30 20 IKED CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1 799781162 NOMQUHOZXBXGAH-IBGZPJMESA-N 449.551 5.118 30 20 IKED CC(C)(C)OC(=O)N1CCN(CCCC2(C#N)CCOCC2)[C@H](c2cccc(Cl)c2)C1 801556405 LGMLWSPOKWKGKF-NRFANRHFSA-N 448.007 5.034 30 20 IKED N#C[C@H](C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1cc(C(F)(F)F)ccn1 813215338 WZQNPHPUWXUFEG-HNNXBMFYSA-N 434.805 5.003 30 20 IKED NC(=O)Nc1cc(NC(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F 814343035 MGRIOSHTGNTICL-RJRFIUFISA-N 435.299 5.006 30 20 IKED Cc1cc(C#N)cnc1C(=O)O[C@@H](C)c1cnc(-c2ccc(Br)cc2)s1 815991435 BLJCUWANXGYNJN-LBPRGKRZSA-N 428.311 5.066 30 20 IKED C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)[C@@H](C#N)c1nc2ccccc2s1 821619979 UMPFZHRIVXXVJX-SWLSCSKDSA-N 427.323 5.144 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ncc(-c4ccccc4F)o3)n2)cc1 915100583 VXFMSIOBLLZODK-SFHVURJKSA-N 431.492 5.722 30 20 IKED CCN(CC)Cc1ccccc1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915351568 FIMOSNPKTKTPMB-SANMLTNESA-N 426.564 5.506 30 20 IKED CN(Cc1ccc(Br)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915353861 YLBHXSCWOBPSJQ-QFIPXVFZSA-N 434.337 5.768 30 20 IKED CC(C)(C)OC(=O)N(CCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C1CC1 916632302 FPXZOKHISMXSBL-QHCPKHFHSA-N 448.567 5.253 30 20 IKED CCCCCCOc1ccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 916654087 WGGJKLCJJAPZMZ-IBGZPJMESA-N 449.576 5.725 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCSc1ccc(Cl)cc1 916901775 PYBOPVMQQNKVMI-OAHLLOKOSA-N 437.348 5.140 30 20 IKED Cc1ccc(/C=C/C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)c(Br)c1 916916627 YGHXCGFYEQXRIH-CVTTXWKISA-N 433.305 5.272 30 20 IKED N#C[C@H](C(=O)CCc1ccc(-c2ccccc2)o1)C(=O)Nc1ccc(Cl)cc1Cl 916927511 LCQOGFSRMLWCIY-QGZVFWFLSA-N 427.287 5.534 30 20 IKED CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916928470 LXTUDCJQQVPXIP-BCEDRHLLSA-N 425.356 5.118 30 20 IKED Cc1ccc(N2C[C@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)cc1 916977316 PUCDABRQAMLPDX-VQIMIIECSA-N 435.936 5.001 30 20 IKED CCCOc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 917046105 FLGWPLVXBLOTAK-KRWDZBQOSA-N 426.925 5.578 30 20 IKED N#Cc1ccccc1N1C(=O)/C(=C\c2csc(-c3ccc(Cl)cc3)n2)SC1=S 917644767 KHJDRHDHIHXDLJ-RQZCQDPDSA-N 439.974 5.741 30 20 IKED C[C@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(F)c(Cl)c1 919088210 HORXBVQEPRDCEB-ZDUSSCGKSA-N 443.862 5.120 30 20 IKED CSc1nc(O)c(C(=O)N(Cc2ccc(C)cc2)[C@@H]2CCc3ccccc32)cc1C#N 1125258457 IWARPYYILSBJLD-JOCHJYFZSA-N 429.545 5.019 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OCC5CC5)cc4)CCC3)cc2)C1 1785809192 YAVFTWMSILBGES-UHFFFAOYSA-N 430.548 5.189 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc5c(F)cc(F)cc5[nH]4)cc3)CCC2)C1 1788982984 GAZBBNYLZXULOB-UHFFFAOYSA-N 435.474 5.160 30 20 IKED CC1=CC[C@@H](C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)CC1 1789114786 KCAQDDBRGGETFU-OAQYLSRUSA-N 427.548 5.247 30 20 IKED C[C@]1(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)CC1(F)F 1790767616 CISKEQABDONKKH-OAQYLSRUSA-N 443.881 5.005 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)c(C(F)(F)F)c3)CCC2)cc1 1791589150 KVEXFHJUSYQHIL-UHFFFAOYSA-N 434.433 5.097 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CSc3ccccc3)C2)CC1 1809288708 IVDHAKLMCFUDOT-UHFFFAOYSA-N 428.642 5.002 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C)cc2C)[C@@H]1c1cccnc1 1811783127 GWTDTNHARFUAQP-VWNXMTODSA-N 433.596 5.010 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccoc3s2)n[nH]1 1817826429 SOFBQWSWOOWDAY-QGZVFWFLSA-N 440.569 5.516 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sccc2Cl)[nH]n1 1819555593 OHMRUQFESSXHNB-INIZCTEOSA-N 434.993 5.423 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c(-c4ccc(C)cc4)c3)CC2)C1 1823697858 GEBZIRFKFPYAMZ-SANMLTNESA-N 445.607 5.190 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(F)c2)CC1 1828827722 SWDOIGUOCDRLOB-BJKOFHAPSA-N 426.576 5.136 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3CC[C@H](C)CC3)CC2)c1 1832373755 ZYBXOURAJQIIDR-NTPMPWFXSA-N 449.639 5.373 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(F)c(Cl)c2)CC1 1832690813 PMXFHJYOECAVTB-FOIQADDNSA-N 438.946 5.064 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccccc2Cl)cc1 10827310 FELPSNIXWZOTCN-UHFFFAOYSA-O 436.000 5.730 30 20 IKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(F)cc2)cc1 10829289 WNNOJXWDJWLUAB-UHFFFAOYSA-O 443.514 5.740 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 20064875 UHYCXZDSOYPSHC-UHFFFAOYSA-N 446.985 5.143 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(F)ccc1F)=C(/S)Nc1cccc2ccccc12 22693280 QNCDSLORJBSTKY-UHFFFAOYSA-O 447.530 6.019 30 20 IKED Cc1ccc(F)c(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c1 24446003 ZATZRKWWNXLMIL-UHFFFAOYSA-N 431.311 5.610 30 20 IKED C=CCn1c(SCc2nc3ccccc3n2C(F)F)nc2sc3c(c2c1=O)CCC3 25514457 OZZZPJVJHRAOAQ-UHFFFAOYSA-N 444.532 5.170 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccccc1[C@H](C)CC 32787989 MJSIMEPUKXSABP-RTBURBONSA-N 434.609 5.688 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2ccc(Cl)cc2Cl)cc1 108376030 WRBHHTNTEIXCSL-UHFFFAOYSA-N 425.315 5.820 30 20 IKED CCn1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1-c1ccccc1 427465559 OGYZYJOEEGJUBI-UHFFFAOYSA-N 436.515 5.581 30 20 IKED Cc1noc(C[C@@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c2ccccc2)n1 429409055 QGCRUPZWZYCTRD-JOCHJYFZSA-N 439.475 5.148 30 20 IKED Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 430785710 YPRJTTSUNCGPBP-UHFFFAOYSA-N 438.314 5.758 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccccc1-c1ccc(Cl)cc1 434930760 KJJFFFLKMSCGSO-MRXNPFEDSA-N 448.954 5.251 30 20 IKED CC(C)n1ncc2c(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc(-c3ccco3)nc21 436351208 BZLNYUVWNYBRPQ-NZQKXSOJSA-N 439.519 5.184 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2cccc(-c3ccccn3)c2)cc1C 439648015 ODDKQTZXQHTCDA-UHFFFAOYSA-N 435.531 5.073 30 20 IKED CC[C@@H](C)n1c(SCC(=O)N[C@@H](CCC#N)c2ccccc2)nnc1-c1ccccc1 439676778 XXWXAUATFIWBFR-NQIIRXRSSA-N 433.581 5.169 30 20 IKED Cc1ccnc(Oc2ccc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)cc2)n1 440793622 PJOGBWURJBFAEG-UHFFFAOYSA-N 436.471 5.280 30 20 IKED CC[C@H](C)[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)cc1 442156848 CPWNDFSODIPDRG-CKJXQJPGSA-N 444.000 5.576 30 20 IKED N#CCCCn1cc(C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)c2ccccc21 444266394 OFTCZJKVELPBHV-IBGZPJMESA-N 435.955 5.530 30 20 IKED CC(C)COc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 446748150 LWBOTFNBSVPSMW-UHFFFAOYSA-N 447.466 5.102 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 460958303 KJUKQBISOHNOAA-ZCYQVOJMSA-N 444.579 5.248 30 20 IKED CC(C)Oc1cc(Br)ccc1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 464422374 VRKAXENBPJMSJV-CQSZACIVSA-N 427.220 5.140 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)nc(C(F)F)n4C)n2)cc1 467200065 FUHLYGLRHQCSJB-OAHLLOKOSA-N 438.459 5.133 30 20 IKED COc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(OCc3cccc(C#N)c3)cc1C)CCO2 467366154 OADQKRWUNWVDCF-DEOSSOPVSA-N 443.503 5.100 30 20 IKED COc1ccc2c(c1)CN(CC(=O)Nc1ccccc1SCC#N)[C@@H](c1ccccc1)C2 468805320 CKJODEBKWNZONQ-XMMPIXPASA-N 443.572 5.049 30 20 IKED N#Cc1cnc(N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c(Cl)c1 469565071 JDHUUXZOGDZXJV-HNNXBMFYSA-N 435.755 5.222 30 20 IKED Cc1cc([C@@H](NCc2nnc(-c3cccc(C#N)c3)o2)c2ccccc2Cl)ccc1F 471657615 IGDLZNRIPYRTSV-HSZRJFAPSA-N 432.886 5.588 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 472143983 KRHJIBHUMIDSLG-GMAHTHKFSA-N 428.488 5.418 30 20 IKED COc1cccc(C=C2CCN(C(=O)c3ccc(COc4ccccc4C#N)o3)CC2)c1 472932875 VMEZWOCFNVHRHU-UHFFFAOYSA-N 428.488 5.058 30 20 IKED COc1ccc(C#N)cc1NC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 473785623 JVDLGYSTBIJWJV-UHFFFAOYSA-N 434.323 5.087 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)c2ccc(C(C)(C)C#N)cc2)c1C 476084509 NHSARYKIDHTTAO-UHFFFAOYSA-N 427.335 5.849 30 20 IKED N#CC1(NC(=O)c2sc3cc(Cl)ccc3c2Cl)CCN(Cc2ccccc2)CC1 479221644 SXHVZQYOACYYDM-UHFFFAOYSA-N 444.387 5.496 30 20 IKED CC(C)CN(Cc1ccccc1Br)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 479358793 BHGXFRPGFDWQPV-UHFFFAOYSA-N 440.263 5.033 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)c1c(C)nn(CC(F)(F)F)c1C 480130305 HPNIWKPPVFTCAO-LLVKDONJSA-N 449.395 5.137 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CNc1ccc(-c2csc(C(F)(F)F)n2)cc1 480144955 FXLCRTRBACJLRT-UHFFFAOYSA-N 436.846 5.405 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccccc2Oc2ccccc2OCC)n1 484558013 VQTQYIMQXGBIHL-INIZCTEOSA-N 436.489 5.001 30 20 IKED N#C[C@H](C(=O)c1cc2ccccc2n1CC(F)(F)F)c1nc2cc(Cl)ccc2s1 489906281 CBYKJANDXBCNSC-CYBMUJFWSA-N 433.842 5.957 30 20 IKED Cc1[nH]c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C)c1C(=O)OC(C)C 490651035 PJGZXWWNIMZECN-UHFFFAOYSA-N 445.519 5.094 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N(Cc3ccccc3)[C@@H](CO)C3CC3)c2)cc1 491982409 XKNTWYHRWUJCMB-VWLOTQADSA-N 427.504 5.156 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)cc1Cl 494199405 VQIJPAQDOMETBX-NOXFTYBFSA-N 441.984 5.172 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc3c(cc2F)NC(=O)CC3)cc1Cl 494532168 MNESECXNHGFVDD-IBGZPJMESA-N 433.870 5.272 30 20 IKED CC1(C(=O)Nc2nnc(-c3ccsc3)s2)CCN(c2ccc(Cl)cc2C#N)CC1 497077958 KCNBERNMKPNDLA-UHFFFAOYSA-N 443.985 5.037 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc4ncccc4c3)s2)c(C(F)(F)F)c1 499702566 SSNUWFNLKYPLRT-UHFFFAOYSA-N 438.434 5.425 30 20 IKED N#Cc1cc(C(=O)N2CCC[C@@H](Cc3csc4ccccc34)C2)cnc1C(F)(F)F 500444642 YYLGZASCPDEUSN-AWEZNQCLSA-N 429.467 5.282 30 20 IKED COc1ccc(C[C@@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2ccc(OC)cc2)cc1 503795385 UHSILDJZEPIYRJ-RUZDIDTESA-N 443.547 5.610 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@H](c3ccccc3F)C2)cc1 504035732 KTCNYYBXPRUOTE-FQEVSTJZSA-N 429.495 5.492 30 20 IKED COCCN(Cc1cccs1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 508244324 XMDIYSVCPRTEPO-UHFFFAOYSA-N 437.521 5.101 30 20 IKED C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](c2nccs2)C1 508928649 AVKZVEQQYGYZHR-HOTGVXAUSA-N 429.977 5.098 30 20 IKED Cc1c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cnn1C1CCCCC1 510312428 JKFYTKCPWRPALJ-UHFFFAOYSA-N 427.508 5.073 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(CN2CCCC2)cc1 510531996 DRYYAMVTIAUELJ-UHFFFAOYSA-N 440.547 5.577 30 20 IKED COCCOc1ccccc1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 510645416 DDVSTFWMLGVOFL-UHFFFAOYSA-N 431.492 5.006 30 20 IKED CCOc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 510856955 JPPZMQAPVAVIGE-SANMLTNESA-N 441.531 6.427 30 20 IKED Cc1nc(NC(=O)[C@H](Sc2ccc(F)cc2F)c2ccccc2)sc1SCC#N 518494749 YDEKZETVQWHPKI-QGZVFWFLSA-N 447.557 5.818 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(-c4ccccc4)nc3C)n2)cc1 518516466 FCKOFLXEWOGPGF-GOSISDBHSA-N 431.542 5.741 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 518744542 XNKFCPXEJOJAGC-INIZCTEOSA-N 437.952 5.197 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 521680252 XRDWMIUSADGXKH-UHFFFAOYSA-N 448.375 5.485 30 20 IKED Cc1nc(-c2ccc(CNC(=O)c3occc3COc3cccc(C#N)c3)s2)cs1 522480067 AXGKXJWQXAODTC-UHFFFAOYSA-N 435.530 5.154 30 20 IKED Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)s1 523948355 UGRIGVHTCVZMAC-CQSZACIVSA-N 425.941 5.911 30 20 IKED CC[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1nc(C(F)(F)F)cs1 524718959 OCXPGAMQVDQHGP-IBGZPJMESA-N 431.483 5.853 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3cc(C(C)(C)C)sc3C#N)cc(-c3ccco3)nc21 534519768 AOAPJUFFDWWTNV-UHFFFAOYSA-N 433.537 5.755 30 20 IKED C=CCN(C(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1)c1nc2c(s1)CCCC2 536048084 RVZODCPURRUGQG-UHFFFAOYSA-N 431.561 5.131 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(C)c1Br 536053410 HGRDULXJHVNGIQ-UHFFFAOYSA-N 435.321 5.769 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CN[C@@H](C)c2ccc(-c3csc(C)n3)cc2)cc1 538179194 DXNWJPKPUUGZFN-SFHVURJKSA-N 448.592 5.115 30 20 IKED N#CC1(c2ccc(C(=O)Nc3cccc(NC(=O)c4ccc(C5(C#N)CC5)cc4)c3)cc2)CC1 538540789 IJDIPUUEYNYROM-UHFFFAOYSA-N 446.510 5.302 30 20 IKED O=C(N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)c1cc(O)nc2ccc(F)cc12 541111415 QLPQQRAOMJOSDH-MRXNPFEDSA-N 448.294 5.012 30 20 IKED CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)cc1F 541968121 LMPKUNJBZWJJBE-XOBRGWDASA-N 447.963 5.183 30 20 IKED CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc(Cl)cc1 542001973 YKYDZSKCPKPTLM-GKVSMKOHSA-N 445.950 5.323 30 20 IKED N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCC[C@@H]2c2cccc3ccccc23)n1 543767814 WIXPWKBQIQUTEC-JOCHJYFZSA-N 425.467 5.405 30 20 IKED COc1ccc(CNc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)cc1OCCCC#N 551451899 CWHHMRQTWCIOFT-IBGZPJMESA-N 435.568 5.170 30 20 IKED COc1ccc([C@@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)cc1 555184457 PNBXIONGBLNFRL-VWLOTQADSA-N 435.531 5.215 30 20 IKED Cc1ccc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1NC(=O)c1ccco1 558587054 VJGHLFBDNVYQCC-UHFFFAOYSA-N 438.443 5.152 30 20 IKED COc1cc(CN(C)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)ccc1SC 567799850 IOCZRXXYEAMJSL-UHFFFAOYSA-N 434.521 5.140 30 20 IKED C=CCn1c(Cc2cccc3ccccc23)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 572766889 QERARZMMMCLIRC-AYLZSAKASA-N 444.604 5.143 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)c1cccc(OCc2cscn2)c1 574595153 NKSZZMHQPWSXOB-UHFFFAOYSA-N 425.513 5.441 30 20 IKED C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 603757508 OCSQVGXXEBRLLY-GFCCVEGCSA-N 449.429 5.169 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl 609500538 SJZWYCPOEIOGFV-ZWKOTPCHSA-N 438.314 6.103 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@@H](c4cc5ccccc5[nH]4)C3)cc2)cc1 609515757 BRVQFWWUPCLKOM-HSZRJFAPSA-N 435.527 6.046 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cc2)cc1 609522436 LJYGSFBNVBDUDE-NRFANRHFSA-N 436.298 5.846 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N[C@H](C#N)c3ccccc3Br)c2)cc1 609593343 VFIZPRPAWRELGE-OAQYLSRUSA-N 432.277 5.108 30 20 IKED COCCn1ncc2ccc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)cc21 609725234 PUWILVNWCFZNSS-UHFFFAOYSA-N 446.894 5.252 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(OCC4CCOCC4)cc3)c2)c1 609908584 GCTJVKWJCHMSBR-UHFFFAOYSA-N 442.515 5.195 30 20 IKED CCc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)o1 610087009 KKHOESGRABZWQK-KRWDZBQOSA-N 426.460 5.038 30 20 IKED CN(Cc1ccco1)Cc1ccccc1CNC(=O)c1ccccc1-c1ccccc1C#N 610200348 FRYVOPXDZNEMOG-UHFFFAOYSA-N 435.527 5.380 30 20 IKED CN1CCC[C@@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[C@H]1c1cccs1 610321267 OCVJGSDFMQEWBE-MBSDFSHPSA-N 447.564 5.012 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 610322749 POEFXEPRERGCJL-HSZRJFAPSA-N 440.547 5.397 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 615511804 YSCOKKSJDZOANW-UHFFFAOYSA-N 435.474 5.115 30 20 IKED N#C[C@H](C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1nc(-c2ccccc2)cs1 642281378 DFVOIUXJPHBRMO-LJQANCHMSA-N 445.931 5.164 30 20 IKED Cc1nn(-c2ccccc2)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cc12 642282516 ZLVMKPMWKXEMDD-INIZCTEOSA-N 447.470 5.630 30 20 IKED N#C[C@@H](C(=O)c1cnc2c(F)ccc(F)c2c1)c1nc2cc(C(F)(F)F)ccc2s1 645955592 SLMCLNUPPRDZFM-LBPRGKRZSA-N 433.361 5.632 30 20 IKED C=CCn1c(SCc2nc(-c3ccccc3)oc2C)nnc1[C@H]1COc2ccccc2O1 648028261 KMOUWAVGEKCIAE-OAQYLSRUSA-N 446.532 5.232 30 20 IKED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1C1CCCC1 661571475 FFZWFWRZCKWIIL-MRXNPFEDSA-N 433.021 5.619 30 20 IKED N#Cc1ccc(NN=Cc2cn(-c3ccccc3)nc2-c2cccnc2)cc1C(F)(F)F 726425732 DODGFJWCWJSDFW-UHFFFAOYSA-N 432.409 5.271 30 20 IKED CN(C(=O)c1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1)C1CCCCC1 726473194 KJIQEIZKKMWQDN-UHFFFAOYSA-N 426.973 5.425 30 20 IKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc3c(c2)CCC3)c1 726570645 HSSDRYLPLVVQHY-UHFFFAOYSA-O 446.983 5.620 30 20 IKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1cccc(-c2ccccc2C)c1 729635439 UFJNBPSWSUSMDP-UHFFFAOYSA-N 444.560 5.402 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(c2ccccc2F)CCCC1 731062046 FREMZZVOOUBRDF-KRWDZBQOSA-N 440.540 5.214 30 20 IKED CCCCCCCC(=O)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 732164020 QQLSTAZHYFPGEA-SFHVURJKSA-N 434.378 5.447 30 20 IKED N#C[C@H]1CN(C(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)CCN1C1CC1 732648329 SOVQGHSZKQKXNB-IBGZPJMESA-N 446.403 5.098 30 20 IKED Cc1nn(-c2ccccc2)c2ncc(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)cc12 733258589 FSNUSSULSDFWQZ-LJQANCHMSA-N 436.302 5.030 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(Oc3ccc(C)cn3)cc2)ccc1OC 733634962 JUKZRBVWGHVWOM-FQEVSTJZSA-N 446.507 5.194 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCOc3ccc(Cl)cc3C2=O)cs1 733749432 WREBKSAUMWUTGK-WJDWOHSUSA-N 438.936 5.838 30 20 IKED Fc1cccc(F)c1-c1ccc(C=Nn2c(S)nnc2-c2ccc(OC(F)F)cc2)o1 734363554 LQAGQNXAEKKHNY-UHFFFAOYSA-N 448.401 5.256 30 20 IKED CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H]1CCCN(c2ccccc2)C1=O 734643816 HYOIQDKEVITRRK-JWQCQUIFSA-N 438.531 5.001 30 20 IKED Cc1ccc(C)c(-c2nn(Cc3cc(Cl)ccc3OCC#N)c(=O)c3ccccc23)c1 735302983 IYQBCEBATTWYOQ-UHFFFAOYSA-N 429.907 5.284 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)OC(=O)c1ccc(C#N)nc1 739301747 MTMWFKUHDZQMJD-LBPRGKRZSA-N 428.311 5.066 30 20 IKED FC(F)COc1ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1 741805045 ISZBRGBEAYOGFF-UHFFFAOYSA-N 429.279 5.067 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2C[C@@H](C)C[C@@H]2c2cccc(F)c2)c1=S 742176275 SDHLADUITWAEDN-LAUBAEHRSA-N 438.572 5.455 30 20 IKED CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C#N)o2)NC(=S)N1c1cccc(C)c1 743741028 YRBPOTYNYNYRAH-QHCPKHFHSA-N 442.544 5.117 30 20 IKED CCC[C@@H](CCc1ccccc1)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 743926502 WHLIUZXXRCWQOL-AZGAKELHSA-N 439.559 5.198 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)cc1 744935953 KHFNYXBAOQNXNA-AWEZNQCLSA-N 446.315 5.087 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)c1 745821243 PFTRESGEQUUAPK-LJQANCHMSA-N 431.458 5.265 30 20 IKED CCCN(C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H]1CCc2ccccc21 747001162 JEYHNKNDMYYHME-UIOOFZCWSA-N 437.543 5.207 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1Cl 749907922 DZXCWVVIBXDNTA-QGZVFWFLSA-N 426.259 5.809 30 20 IKED Cc1cc(CSc2ccccc2C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)on1 752376598 SOQKIQRYWNZWCN-UHFFFAOYSA-N 432.530 5.523 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 760786470 SFCPEIVITYQXHJ-UHFFFAOYSA-N 432.348 5.805 30 20 IKED COc1ccccc1NC(=O)c1cc2ccccc2cc1OC[C@H](O)c1ccc(C#N)cc1 763229868 DVXJEDRBUBVDAR-DEOSSOPVSA-N 438.483 5.085 30 20 IKED CCN(CC(F)(F)F)C(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl 764191337 GEIXOGLOEISZPE-UHFFFAOYSA-N 449.729 5.204 30 20 IKED C=CCn1c(-c2ccccc2C)nn(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c1=S 764885813 OIQNGUKDTUDGKR-LJQANCHMSA-N 445.592 5.554 30 20 IKED Cc1cc(/C=C2\CC(O)(C(F)(F)F)C/C(=C\c3ccc(C#N)c(C)c3)C2=O)ccc1C#N 766492334 WJWYQIFACIJZPC-VGENTYGXSA-N 436.433 5.170 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 770210745 LCCCEEQMVZTZOK-OAHLLOKOSA-N 442.294 5.327 30 20 IKED Cc1cccc(C2(O)CCN(C(=O)c3ccccc3Oc3ccccc3C#N)CC2)c1C 778288576 FTTKFLGDQLLPDE-UHFFFAOYSA-N 426.516 5.091 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1c(Cl)cccc1Oc1ccc(F)c(Cl)c1 782531547 AYUMSDYAWIMUKX-UHFFFAOYSA-N 449.240 6.219 30 20 IKED COc1ccc2c(c1)C(C)(C)/C(=C/c1csc(N(C(C)=O)c3ccc(F)cc3)n1)C2=O 788739920 UWAZFSNLKADCOG-SRZZPIQSSA-N 436.508 5.533 30 20 IKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 802042404 QQWXUBSKUHNJKO-GJZGRUSLSA-N 433.188 5.370 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C 804253256 MANBAAJVNHFDSY-AUUYWEPGSA-N 444.466 5.040 30 20 IKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)sc2cc(F)ccc12 805854210 RWPHWHPMMFOFET-HNNXBMFYSA-N 434.464 5.625 30 20 IKED N#C[C@@H](C(=O)CCCc1ccccc1Cl)c1nc(O)c2c3c(sc2n1)CCCC3 810521077 KTFJUMMOEBSXIE-HNNXBMFYSA-N 425.941 5.128 30 20 IKED Cc1ccc(N(C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)c(Br)c1 813309909 HLFVUQSNVMLXSW-UHFFFAOYSA-N 425.282 5.078 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)c1 813641703 JQVZCAULMFVVIO-WIYYLYMNSA-N 429.973 5.097 30 20 IKED Cc1ccc(N(CCC#N)C(=O)COC(=O)/C=C\c2ccc3ccc(Cl)cc3n2)cc1C 912872385 AHMFFGWVYPPLPA-LUAWRHEFSA-N 447.922 5.008 30 20 IKED Cn1ncc2c1CC/C(=C\c1cccc(NC(=O)c3ccc(Cl)cc3Cl)c1)C2=O 915988772 GXNBQVPYJDKGGT-NTEUORMPSA-N 426.303 5.192 30 20 IKED N#CCCn1cc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)c2ccccc21 916276794 JGIDIZCJZCSHFF-UHFFFAOYSA-N 441.347 5.291 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 916882891 LUPTYISSRJLJSU-QFIPXVFZSA-N 444.874 5.626 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc2c(c1)Cc1ccccc1-2 916900977 VQYGRAZKOBINBI-FQEVSTJZSA-N 430.891 5.189 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1sc(-c2cccs2)nc1C 916901921 SKAZYBKSRLSARX-GFCCVEGCSA-N 445.953 5.112 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)COc1ccc2oc3c(c2c1)CCCC3 916905429 CDONBJOHDGARLE-QFIPXVFZSA-N 444.531 5.163 30 20 IKED COc1ccc(-n2c(C)cc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)c2C)cc1 916917809 JZSCJHDFDHCAHX-DEOSSOPVSA-N 437.499 5.217 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2sc3ccccc3c2s1 916928409 KJVXGPSDMUGENQ-LBPRGKRZSA-N 445.352 6.384 30 20 IKED N#C[C@H](C(=O)COc1ccccc1C(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1 916976866 VLLKHHPAYKWNAF-CQSZACIVSA-N 436.842 5.738 30 20 IKED N#C[C@H](C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)c1nc(-c2ccccc2)cs1 917025532 MSSAXYCHOOSMBL-TZIWHRDSSA-N 437.524 5.193 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@H]2COc2ccc(Cl)cc2)o1 917101732 OZNLKTIEZXUNGI-IBGZPJMESA-N 436.895 5.067 30 20 IKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C=NNc2ncccc2Cl)c1 917549025 GSSLWJNAIWHSQM-UHFFFAOYSA-N 433.899 5.051 30 20 IKED CC(C)(C)[C@H](Cn1ccnc1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 918052872 XZIODYQHGARQSE-NRFANRHFSA-N 437.931 5.437 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 918488162 VQDXJFPVKIVXHI-GFCCVEGCSA-N 449.746 6.336 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc(-c2ccc(F)c(Cl)c2)cs1 920009554 HPBJFNUIYYRLAN-UHFFFAOYSA-N 426.860 5.419 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)n1 920328056 UEHYPYRMJAOKEG-FQEVSTJZSA-N 435.549 5.341 30 20 IKED Cc1cc(C)n(-c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)n1 920442561 WDMCYFNOBBVLEY-UHFFFAOYSA-N 438.556 5.905 30 20 IKED COc1ccc(SCCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920804052 JMUKUKKPEMNUPV-OAHLLOKOSA-N 430.501 5.456 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(Cc3ccc(F)cc3)n2)cc1 920878415 LSHLPIURJCTSBT-XMMPIXPASA-N 441.531 5.710 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2c(O)n[nH]c2-c2ccccc2)c1 1637487506 KSZUPUGABVMCJC-UHFFFAOYSA-N 430.851 5.352 30 20 IKED Cc1c(C(=O)NC2(c3ccc(NC(=O)C4(C#N)CC4)cc3)CCC2)cccc1C(F)(F)F 1787883989 YYYAQQAYTKKIBX-UHFFFAOYSA-N 441.453 5.065 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccnc4ncccc34)cc2)CCC1 1790899670 WQPUMMFSHFUVKV-UHFFFAOYSA-N 442.563 5.370 30 20 IKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1C1CC1)C2)c1ccccc1 1798555960 DXLKBAJOVZTXFL-UHCVVMIDSA-N 440.587 5.013 30 20 IKED CC(C)[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@H](C)C#N)c2)CC1 1803685161 WDBSDPCVQGKKKM-YAVBNHEZSA-N 435.612 5.028 30 20 IKED CC(C)(C)c1cc(C(=O)N2CCC3(CCCN(C(=O)CC#N)C3)CC2)cc(C(C)(C)C)c1 1809023648 MFXRATVEUSYUKM-UHFFFAOYSA-N 437.628 5.040 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(CCC)cc2)[C@H]1c1cccnc1 1810501497 AWWKADPHJIPPBC-DQEYMECFSA-N 447.623 5.346 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2C2CC2)[C@@H]1c1cccnc1 1813752239 HBVNCQOZBKPDBF-RDGATRHJSA-N 445.607 5.271 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCc3ccccc32)[nH]n1 1819557061 VGYVRVADRPRNMX-RBBKRZOGSA-N 434.584 5.124 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ccoc23)CC1 1824142924 AABLLEFXPJHKAV-XMMPIXPASA-N 434.580 5.435 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)cc2F)CC1 1830470630 WLKMVDVMSDCZPY-QPPBQGQZSA-N 426.576 5.136 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3CC[C@H](C)CC3)CC2)c1 1832373756 ZYBXOURAJQIIDR-YNMPZUNCSA-N 449.639 5.373 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)ccc2OC)CC1 1832597764 LRYWWXSRNQYQEM-QFIPXVFZSA-N 444.591 5.060 30 20 IKED N#Cc1ccccc1CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1 10134498 IGLYDFPVATZUKZ-UHFFFAOYSA-N 438.343 5.800 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2ccc(C)c(F)c2)cc1 11082894 JADJGZYQZWPDGT-UHFFFAOYSA-O 433.981 5.750 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(C)c(C)c2)[n+]2ccc(C(C)(C)C)cc2)c1 15247762 YODGROWVQHPNGW-UHFFFAOYSA-O 445.652 6.502 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)cc1 61776622 QEJYOOAOVHXZAH-QHCPKHFHSA-N 443.551 5.055 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc(Br)cs2)cc1 195715303 HLQMTSFCUCWTDH-UHFFFAOYSA-N 429.314 5.364 30 20 IKED COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCCCC#N)cc1OC 208464750 YENKOYHFUOKTBN-SDXDJHTJSA-N 428.488 5.199 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)cc1OC 210996441 MEMASFITGUMNAQ-QNOJTCODSA-N 448.563 5.235 30 20 IKED COc1ccc([C@@H](NCc2ccc(F)cc2C#N)c2ccccc2)cc1Br 303366420 ISBLXSKGDYRDCI-QFIPXVFZSA-N 425.301 5.348 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H](CCc1ccccc1)c1ccccc1 432720433 QTCUGJKZDHPMFJ-RUZDIDTESA-N 425.532 5.157 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1)c1ccccc1 432758704 RJQIPPRDGDOQPZ-XMMPIXPASA-N 426.520 5.173 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1c(F)cccc1F)C1CCCC1 438044539 YLGHLLYKMJECHY-MRXNPFEDSA-N 429.536 6.336 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2 438080605 XTSSJMDBMVNWPZ-CYBMUJFWSA-N 449.479 5.075 30 20 IKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@H](CCC#N)c1ccccc1 439300370 DORJKLAEHQVDEE-JOCHJYFZSA-N 427.508 5.806 30 20 IKED N#CCC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1 439393027 BGSKLLHINOHFLA-QHCPKHFHSA-N 428.467 5.443 30 20 IKED CC(C)(C)c1noc(COc2ccc(Oc3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)cc2)n1 443448773 ZGSKNXIAERMLJB-UHFFFAOYSA-N 445.435 5.066 30 20 IKED CCOCCC1(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 443865055 WAURIJAVPWVQNP-UHFFFAOYSA-N 427.932 5.119 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)c2ccccc21 444177269 UMJANHSSZXSDBX-UHFFFAOYSA-N 435.890 5.235 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)c2ccccc21 444265137 JEANWALQHNRZDJ-UHFFFAOYSA-N 441.491 5.037 30 20 IKED Fc1ccc(-c2nc(CN[C@@H](c3ccccc3OC(F)F)C(F)(F)F)no2)c(F)c1 444614224 YFSMZINHKKQSAT-HNNXBMFYSA-N 435.299 5.009 30 20 IKED CC(C)c1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 446365805 CBJOHBMGGHFEIA-QFIPXVFZSA-N 431.923 5.696 30 20 IKED CC[C@H](N[C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F)c1ccc(C#N)cc1 447577669 AXJZQVGAMJJKML-ZEQRLZLVSA-N 440.515 5.070 30 20 IKED CCCN(C(=O)[C@@H](C)Oc1ccccc1C#N)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 461534774 KBNZHLSOMLGTQS-KBMIEXCESA-N 431.511 5.196 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(C)cccc1Br 463711557 LDFNJPGCVIIQKH-UHFFFAOYSA-N 435.321 5.769 30 20 IKED CCc1nc2ccc(Cl)cn2c1C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 464188502 SQVPOGAIKNERSF-INIZCTEOSA-N 436.924 5.172 30 20 IKED N#Cc1cc(NC(=O)c2cc3ccccc3c(O)n2)ccc1Oc1ccc(C(F)(F)F)cc1 464275685 ORYGEFSVXJCLFL-UHFFFAOYSA-N 449.388 5.875 30 20 IKED N#CCCCN1C(=O)CCc2cc(NCc3ccc(OCc4ccccc4)cc3)ccc21 469263565 XTXJVGIDMUCOCW-UHFFFAOYSA-N 425.532 5.461 30 20 IKED C[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(Cl)ccc1Cl 470535720 HXKJHVFVVQIKJB-AWEZNQCLSA-N 445.350 5.459 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1 470593054 SJDHMLZGKHNOJK-MWTRTKDXSA-N 449.532 5.415 30 20 IKED Cc1cc(F)c(Br)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 475078225 XBKQNZZRLZCFPJ-UHFFFAOYSA-N 429.245 5.193 30 20 IKED CCc1cnc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)s1 475601776 MFRVZWYZVZFYHM-UHFFFAOYSA-N 426.929 5.687 30 20 IKED CCC(CC)[C@@H]1C[C@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CCO1 477529544 JSYGEFHCIKPTSJ-RDGATRHJSA-N 435.568 5.551 30 20 IKED Cc1nc(NC(=O)c2cc(C#N)ccc2Cl)sc1-c1nc2ccccc2n1C(F)F 478692861 ZLSIREVWPHEWMZ-UHFFFAOYSA-N 443.866 5.641 30 20 IKED CC[C@H](N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)c1ccc(C#N)cc1 479520229 WGHQYAHCALZVCN-ZWKOTPCHSA-N 427.264 5.114 30 20 IKED CN(Cc1ccon1)C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482348124 ZIJPXOGHPLCELL-LBPRGKRZSA-N 449.273 5.157 30 20 IKED CC(C)CN(C(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCCc2cccnc21 482656840 FHUFTZLUXZGHEG-OAQYLSRUSA-N 429.486 5.197 30 20 IKED Cc1nc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2n1C 483483240 DZSPLRLRASNIQE-HNNXBMFYSA-N 441.343 5.802 30 20 IKED CCC[C@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1ccccn1 483647313 SPCMQSNMJMGQPV-KRWDZBQOSA-N 444.482 5.542 30 20 IKED Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1C(=O)N(C)C(C)C 488222777 ZCZPATKIRWQVOX-UHFFFAOYSA-N 427.504 5.392 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(Oc2cccc(F)c2)nc1 489126745 LCMQAVWRLVUELR-UHFFFAOYSA-N 437.519 5.078 30 20 IKED O=C(Nc1cc(F)c(OC(F)F)cc1F)c1cc(OC(F)F)cc(OC(F)F)c1 490281199 CUQSDKPXBYTBKQ-UHFFFAOYSA-N 431.235 5.021 30 20 IKED COc1cccc(/C=C(/CC(=O)N(CC#N)c2ccccc2)c2nc3ccccc3s2)c1 497355157 RQAILFGWVVZZCI-SILNSSARSA-N 439.540 5.792 30 20 IKED CN(C)[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccsc1 501521235 GFZMLJXDFXUSSR-IFMALSPDSA-N 438.984 5.481 30 20 IKED C=CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 506858373 BKDXQTBTCKZMMK-UHFFFAOYSA-N 449.319 5.561 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc(C(F)(F)F)cs1 507616029 MJXSPNDCNNKYGV-NSHDSACASA-N 431.530 5.428 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(Cl)c(C(=O)NC4CCCCC4)c3)CC2)c1 507767691 DKMDDUGTEIRPAV-UHFFFAOYSA-N 439.918 5.084 30 20 IKED N#Cc1c(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)sc2c1CCC2 508848350 BZWPSOSCHMCCSB-UHFFFAOYSA-N 433.480 5.432 30 20 IKED CC(C)N(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(Cl)cc1 509150174 FWPBTGOXCOUMJT-UHFFFAOYSA-N 438.915 5.118 30 20 IKED CC(C)c1nccn1Cc1cccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 509585696 QAUIKIVPBOTXHW-UHFFFAOYSA-N 443.551 5.002 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccccc3)C2)cc1Cl 510025406 DDMJRUUOFGZESO-LADGPHEKSA-N 431.923 5.601 30 20 IKED CC(C)Cn1ncc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C1CC1 511051664 LUKXVDWDEMWXSA-OAQYLSRUSA-N 432.955 5.978 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(c3ccccc3)CC2)cc1Cl 511589807 CHNOQOGPOMPPBK-DEOSSOPVSA-N 444.966 5.740 30 20 IKED CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c(C)c1 513266483 HNFNCOYHPUSOLH-LJQANCHMSA-N 441.531 5.226 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 513557383 UJKGWNNMJNJNNU-UHFFFAOYSA-N 437.628 5.188 30 20 IKED CC(C)(C)O[C@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1 513803998 QAVDTPZFERGHPI-SFHVURJKSA-N 438.578 5.197 30 20 IKED CC1(C)Oc2ccc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2O1 513878416 NYMCQOMLSQOOSO-UHFFFAOYSA-N 431.467 5.439 30 20 IKED C[C@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1S(=O)(=O)CCCCC#N 518302861 OUUVPAGSELEODF-LPHOPBHVSA-N 441.984 5.353 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 519057348 XQNYCGKIHQRRCZ-UHFFFAOYSA-N 438.915 5.552 30 20 IKED CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c(C)c1 519979265 ZTIHGCCUXLYWPL-LJQANCHMSA-N 441.531 5.226 30 20 IKED C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)CCC(=O)N(CCC#N)c1ccccc1 520255248 XTFYHVPLHREFJE-NRFANRHFSA-N 445.588 5.565 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(C)n1-c1nccs1 520429599 SRRKVDWXJCBWGA-AWEZNQCLSA-N 440.500 5.442 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1CN1C[C@@H](C)C[C@@H](C)C1 520478333 SFZCSQSOZAQXJT-SZPZYZBQSA-N 432.612 5.156 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(C(=O)c4ccccc4)CC3)c2)cc1 520670705 NNCBJNVZBDLVSZ-UHFFFAOYSA-N 425.488 5.477 30 20 IKED C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 521047116 NEPZJEIGKAXHSX-GOSISDBHSA-N 439.987 5.044 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3CCOc4c(-c5ccccc5)cccc43)cc2)nc1 521956136 IVMFUVGOSQCZHT-VWLOTQADSA-N 447.494 5.666 30 20 IKED COc1cc(C)c([C@H](C)NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC 522073096 SSUVAEQOPKJFIG-KRWDZBQOSA-N 431.492 5.559 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCCCC(=O)c3ccccc3)cc2F)c1 522186907 SWHBKYSTSGXRMR-UHFFFAOYSA-N 430.479 5.658 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccc(-c4ccncc4)cc3)c2)cc1 523558063 NZFIWTCTJDRSLS-UHFFFAOYSA-N 448.526 5.715 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCO[C@H](c4ccccc4Cl)C3)c2)cc1 523742773 QQONNRLBSRDAMQ-DEOSSOPVSA-N 432.907 5.004 30 20 IKED CC(C)C(=O)Nc1ccc(CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 523882356 LNWJHCGHMIHJJB-UHFFFAOYSA-N 447.922 5.528 30 20 IKED Cc1nc(SCC(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)c(C#N)c(C)c1C 524421309 NOEBTNYYUYGALP-IBGZPJMESA-N 430.577 5.782 30 20 IKED COc1ccc(Br)cc1SCC(=O)N(CCC#N)c1cccc(Cl)c1 525004767 XDPAPESXGDXNBG-UHFFFAOYSA-N 439.762 5.150 30 20 IKED Cc1nc(C2CCCCC2)sc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 526066962 CKNKTKJCYWWZEG-UHFFFAOYSA-N 436.581 5.335 30 20 IKED Cc1nnc(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)n1[C@@H]1CCC[C@@H](C)C1 536089397 GQNWWJCCFGLFIF-GDBMZVCRSA-N 443.642 5.271 30 20 IKED COc1cc([C@@H](C)NC(=O)c2ccc(C3(C#N)CC3)cc2)ccc1OCc1ccccc1 539630541 XJCWDRICJXGGOL-LJQANCHMSA-N 426.516 5.320 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)c3cc(Br)ccc3Cl)n2)c(Cl)c1 542036438 BGPJOYLZBKBBKX-UHFFFAOYSA-N 436.096 5.066 30 20 IKED COc1cccc([C@H]2C[C@H](C)CN2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1 544233658 QWYYRHPMFBXJCP-IFXJQAMLSA-N 433.430 5.123 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)C2CC2)cc1 544252981 DNDWRUGXKKYCKL-YTTGMZPUSA-N 443.572 5.204 30 20 IKED C[C@H](O)CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C1CCCCC1 544537561 XBGNPZDCMICKQO-JTSKRJEESA-N 425.960 5.543 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc(Cl)ccc2Sc2ccccc2)n1 544818359 VXRHOXJWZAFBHA-INIZCTEOSA-N 442.949 5.614 30 20 IKED Cc1csc(Oc2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2F)n1 548058597 WKSZGNDITKVJMH-UHFFFAOYSA-N 449.463 5.679 30 20 IKED C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@H](c2nc3ccccc3s2)C1 548948500 CIRZXCHZBBSSPM-FQEVSTJZSA-N 445.592 5.175 30 20 IKED C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 549322579 RCWXCOQYLYPZCC-QGZVFWFLSA-N 440.535 5.003 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)cc2)c1 550252790 WVPQYFZBJVLLLG-UHFFFAOYSA-N 441.365 5.317 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NC1(c2cccc(C#N)c2)CC1 552815554 UMFJNGAWNJTFRW-HNNXBMFYSA-N 437.952 5.294 30 20 IKED N#CCCCn1cc(C(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)c2ccccc21 553100523 LCGLZQKEXJIJSQ-FQEVSTJZSA-N 430.335 5.105 30 20 IKED Cn1c(Cc2cccs2)nc2cc(C(=O)Nc3cccc(OCCCC#N)c3)ccc21 553191316 LZOYDLJJJGZCTL-UHFFFAOYSA-N 430.533 5.160 30 20 IKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H](c1ccccc1)N(C)C 554172013 JLCXNFVQJXJSHL-FQRUVTKNSA-N 442.563 5.145 30 20 IKED N#C[C@H](C(=O)c1ccccc1Oc1ccncc1)c1nc(-c2c(F)cccc2F)cs1 555073420 CBTKAFYXFZWMQJ-MRXNPFEDSA-N 433.439 5.766 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc2c(c1)nc(Cc1cccs1)n2C 557504609 YHXOBABNCFELHD-INIZCTEOSA-N 446.601 5.730 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 558451140 UCISEPIIKFMEHC-NVVBAYIOSA-N 436.506 5.111 30 20 IKED Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 558824998 KZOZOZFTDBDYOZ-MOPGFXCFSA-N 444.922 5.198 30 20 IKED N#Cc1cccc(COc2cccc(CN3CCCC[C@H]3c3nnc([C@H]4CCCO4)o3)c2)c1 561970281 CWGJZMWYFQKJMI-BJKOFHAPSA-N 444.535 5.099 30 20 IKED N#Cc1ccc(N2CC[C@H](C(=O)N(c3ccccc3)c3nc4ccccc4s3)C2)c(F)c1 567018983 UMSFWMRKPQOOSJ-SFHVURJKSA-N 442.519 5.498 30 20 IKED COC(C)(C)c1nc(C)c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)s1 568450752 PBZJJFTUFWQAFM-UHFFFAOYSA-N 435.549 5.230 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1CCC(F)(F)[C@H](C)C1 583665536 CITNWBZYVDROCV-CQSZACIVSA-N 433.524 5.142 30 20 IKED N#C[C@H](C(=O)c1ccc(-n2cnnc2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 591862059 LEMGLRGVSGEKAM-MRXNPFEDSA-N 440.315 5.188 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)c2C#N)C1 602755010 DTXHJHKTAPYLNM-JTSKRJEESA-N 443.572 5.244 30 20 IKED CCCc1ccc([C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)c2cccs2)cc1 603705413 AAWYGAYZBLUWAE-NRFANRHFSA-N 437.952 5.070 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1 603755383 QVCGFKKQAHJTRP-JOCHJYFZSA-N 435.321 5.099 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(-c4ccccn4)n3)cc2Cl)cc1 604027135 IGUAWQPUDXFEAB-UHFFFAOYSA-N 446.919 5.704 30 20 IKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 604522856 JPKVCYRFKUXGQY-NVQXNPDNSA-N 441.531 5.982 30 20 IKED C=CCn1c(SCC(=O)NC[C@@H](C)c2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 606240846 DOGNACJQKFSLHA-QGZVFWFLSA-N 441.000 5.105 30 20 IKED CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 608638130 MOUHPRCJHUTKLM-ABFRBSLYSA-N 442.419 5.602 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1csc(-c2ccccc2Cl)n1 608937285 MGDZLIIFYLDRNM-UHFFFAOYSA-N 446.919 6.083 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)s1 609064308 OGVNQQKSJRRRHQ-UHFFFAOYSA-N 445.569 5.812 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CSc3ccc(C(F)(F)F)cn3)cc2)c1 609065077 UTTVXNZCUVMZBD-UHFFFAOYSA-N 443.450 5.282 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C1CCN(c2nc3ccccc3s2)CC1 609377444 XNRXVCBOJHXSCF-INIZCTEOSA-N 436.606 5.403 30 20 IKED N#Cc1ccccc1COc1cccc(CN[C@@H]2CCc3nc(-c4ccccc4)ncc3C2)c1 609433352 VLEOBKIGQOTCSN-AREMUKBSSA-N 446.554 5.241 30 20 IKED COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)CSCc2ccc(C#N)cc2)CCC3)cc1 609455804 VQBFWOPQDFXFNC-FQEVSTJZSA-N 449.601 5.117 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)Nc3cccc(COCc4ccco4)c3)cn2)c1 609601263 ADXCABGFAZDVGP-UHFFFAOYSA-N 440.459 5.699 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1O[C@@H](C)c1ccccc1 609683634 DGZMQPQRFJBKGG-FQEVSTJZSA-N 429.520 5.379 30 20 IKED COc1cc2c(cc1OC)CN(C(=O)c1cccc(Oc3ccc(Cl)cc3C#N)c1)CC2 609723420 RNPJIIBFECCKMO-UHFFFAOYSA-N 448.906 5.220 30 20 IKED C[C@H](NC(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1)c1cccc(C#N)c1 610407227 ZZVGTBCTXUGEJK-SFHVURJKSA-N 433.531 5.203 30 20 IKED Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 611815839 ZTOBADUAIJXEON-NRFANRHFSA-N 430.512 5.235 30 20 IKED N#C[C@@H](C(=O)c1ccccc1-n1cccn1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346736 PGXDDTYZHFRLLT-INIZCTEOSA-N 439.327 5.793 30 20 IKED O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674463451 PXUWZBXTMIHLEK-ZACQAIPSSA-N 434.355 5.178 30 20 IKED O=C(c1ccc(Cl)cc1C(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 681133242 VURTWCLMCUSWIC-HTQZYQBOSA-N 427.694 5.562 30 20 IKED Cn1ncc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1Cc1ccccc1 683689871 QWJXWNTWNOCUMR-OAHLLOKOSA-N 440.450 5.129 30 20 IKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccccc1C 726571359 VCPIAGBSGVSPJR-UHFFFAOYSA-O 434.972 5.693 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2sc3ccccc3c2C)[n+]2cccc(O)c2)c1 726572429 DUBSYRNAHOAIKN-UHFFFAOYSA-O 443.573 5.507 30 20 IKED Sc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 727062242 VUGVZZFASWVBSZ-SFHVURJKSA-N 449.363 5.186 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(Cl)c(C(F)(F)F)c1 727253630 JROQIBVFSNDITD-UHFFFAOYSA-N 447.869 5.988 30 20 IKED CC(C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(COc2ccc(C#N)cc2)o1 728108332 DXXJSEADVAKYJX-KRWDZBQOSA-N 432.476 5.038 30 20 IKED C=CCN1C(=O)N[C@@H](c2ccc(F)c(C)c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 729661908 IICXHDMGVGJPKF-FQEVSTJZSA-N 447.432 5.318 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCCO[C@@H](c3ccccc3)C2)c1=S 729852164 OEANQEMWUOJLRZ-OAQYLSRUSA-N 441.000 5.342 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 730685669 BCPUJSZYVAMNKH-GUDVDZBRSA-N 429.347 5.569 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cs1 730952725 TXGFFSDAKZTPEY-HNNXBMFYSA-N 425.604 5.935 30 20 IKED CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)Cc2ccc(OCC#N)cc2)cc1 731960836 RTJVFNJMPMJISE-UHFFFAOYSA-N 436.895 5.615 30 20 IKED FC(F)(F)c1cc(NN=Cc2csc(-c3ccccc3)n2)nc(-c2ccccn2)n1 733079757 KDTPOQXMBKQBTQ-UHFFFAOYSA-N 426.427 5.127 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cc(Cl)c(OC)c(Cl)c2)ccc1OC 733630102 ZKDAAPVGJCJAIC-CQSZACIVSA-N 438.311 5.013 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2sc(-c3ccccc3)nc2C)c1 733801575 LWOYBTHLSCTYBD-FXAWDEMLSA-N 434.565 5.360 30 20 IKED N#C[C@@H](C(=O)CCCc1ccc2c(c1)-c1ccccc1C2)c1nc(-c2ccncc2)cs1 734081826 TVVDMKXWBZAUBA-DEOSSOPVSA-N 435.552 5.975 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@H]2Cc2ccccc2C)c1=S 734143239 BTNPJJYWMJADOR-NRFANRHFSA-N 434.609 5.249 30 20 IKED Cc1oc(-c2ccccc2F)nc1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 737511128 DGNGWQSOWRRTJI-UHFFFAOYSA-N 443.453 5.643 30 20 IKED C[C@H](OC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C(=O)N1CCC[C@H]1c1cccs1 738752261 DMANSNNQSPTNLD-JTSKRJEESA-N 445.544 5.272 30 20 IKED C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 739155459 QOAKSCQPWRHNTF-IAQYHMDHSA-N 426.797 5.024 30 20 IKED O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc(-c2ccncc2)c1 741472069 DWYLMRBHWSZUQS-QXMHVHEDSA-N 438.914 6.550 30 20 IKED C=CCn1c(S)nc2cc(C(=O)Nc3cccc(CSC(C)C)c3C)ccc2c1=O 742086784 AHNMSZSYOMCVBB-UHFFFAOYSA-N 439.606 5.074 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742799885 DVMMHQRZQLPXHM-LJQANCHMSA-N 447.485 5.225 30 20 IKED N#Cc1cc(NC(=O)c2cc3sc4ccccc4c3s2)ccc1N1CCC(O)CC1 743733010 BDLSUABDTOVOIJ-UHFFFAOYSA-N 433.558 5.201 30 20 IKED COc1ccc2sc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c(C)c2c1 744061157 HPFJKQXHDVSUCE-SFHVURJKSA-N 429.526 5.704 30 20 IKED CCOc1cc(/C=C(\C(=O)Nc2c(CC)cccc2CC)C(=O)c2ccccc2)ccc1O 747150271 MQZFQKXXVVGNAK-QJOMJCCJSA-N 443.543 5.821 30 20 IKED Cc1cc(C#N)ccc1C(=O)Oc1ccc(NC(=O)c2ccccc2Br)cc1 747747358 RTCBQLLFYDCTAE-UHFFFAOYSA-N 435.277 5.101 30 20 IKED Cc1nnc(SCc2c(C(=O)O[C@H](C)c3ccc(C#N)cc3)oc3ccccc23)s1 748684888 MQKIHGGZDJBLDU-CYBMUJFWSA-N 435.530 5.675 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1scnc1Br 754087883 LVNBYFHQNGXXNH-UHFFFAOYSA-N 430.302 5.072 30 20 IKED O=C1Nc2ccc(C(F)(F)F)cc2C1=NNc1nc2cc(C(F)(F)F)ccc2s1 754256546 BFIRDTAEKQJPEF-UHFFFAOYSA-N 430.333 5.102 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 755752694 ZTIYWUIFQFHPJX-WWGRRREGSA-N 433.961 5.189 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)COc3cccc(OCC(C)C)c3)n2)cc1 757406246 FAARQNWSRCNATH-OAQYLSRUSA-N 436.533 5.109 30 20 IKED CC(C)c1ccccc1N(C(=O)Cc1cccc(OCC#N)c1)c1nc2ccccc2s1 760341300 CZFFZZWKPPPUQF-UHFFFAOYSA-N 441.556 6.229 30 20 IKED O=C(/C=C/c1ccc2ccc(Br)cc2n1)c1cc(Br)ncc1F 762420300 FNGBRHXQHSWKDT-AATRIKPKSA-N 436.078 5.190 30 20 IKED C=CCn1c(-c2cccs2)nn(CN(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1=S 764946299 RFHXMCYQXYIVBO-PZJWPPBQSA-N 440.638 5.386 30 20 IKED CC(C)CCN(CCC#N)Cn1nc(-c2ccc(F)cc2)n(Cc2ccco2)c1=S 764972839 ZTPRZUBVXFADSL-UHFFFAOYSA-N 427.549 5.081 30 20 IKED Cc1ccc(C)c(-n2ncc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2C)c1 772552795 ZHTHJYSDEIYRRP-MRXNPFEDSA-N 441.318 5.066 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 777941189 CRSXDTOKUGUSEV-VFNWGFHPSA-N 440.469 5.460 30 20 IKED CC(=O)N1C/C(=C/c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)C(=O)c2ccccc2C1 778520382 VNMXRNDNQOYAFD-MOSHPQCFSA-N 428.444 5.016 30 20 IKED CC(C)n1cc2c(n1)[C@@H](NC(=O)Nc1ccc(OCc3cccc(C#N)c3)c(F)c1)CCC2 780554555 RANLZTOBCRCXPU-QFIPXVFZSA-N 447.514 5.253 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(C#N)cc2F)ccc1OCc1ccc([N+](=O)[O-])cc1 781107438 HONZNXLYABRYOP-BJMVGYQFSA-N 432.407 5.089 30 20 IKED Cc1oc(-c2cccs2)nc1C(=O)[C@@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 787047858 DJKJYEHUQVOKNU-QMTHXVAHSA-N 448.331 5.218 30 20 IKED Cc1cc([C@@H](CC(=O)Nc2ccc(C#N)c(Cl)c2)NC(=O)OC(C)(C)C)cc(Cl)n1 788423771 OGCLNZIDIMTPSW-QGZVFWFLSA-N 449.338 5.163 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2cnc(-c3ccc(Cl)cc3)s2)S1 789131138 USDRDIFXJGZVCJ-YVLHZVERSA-N 425.966 5.972 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 789454582 BCQCLQYSPCXWDM-UYAOXDASSA-N 429.605 5.696 30 20 IKED C[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)C(=O)N1c2ccccc2Sc2ccccc21 795982394 HPSKCFIVIJAJCN-ICSRJNTNSA-N 442.540 5.835 30 20 IKED N#C[C@H](C(=O)CN1CCC([C@H](F)c2ccccc2F)CC1)c1nc2ccccc2s1 796138637 TYJQBDSPSCRIJW-VGSWGCGISA-N 425.504 5.034 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCN(CC(F)(F)F)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 796644971 ZTSPQEVOZWSOCE-ZWNOBZJWSA-N 448.297 5.177 30 20 IKED N#C[C@H](C(=O)C1(c2cc(F)cc(Br)c2)CC1)c1nc2cc(F)ccc2s1 796995325 QHQWDFAVLSGKGW-CQSZACIVSA-N 433.277 5.245 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cc(-c3ccc(C)o3)ccc2C)ccc1OC 797655462 KUBBRWCPVHPXEP-FQEVSTJZSA-N 433.508 5.575 30 20 IKED COc1cc(C(=O)OCCCC2(C#N)CCOCC2)ccc1OCc1ccc(Cl)cc1 800075929 GLTKUYREFZDULW-UHFFFAOYSA-N 443.927 5.185 30 20 IKED COc1ccc(-c2nnc(S)n2N=Cc2c(Cl)ccc(Cl)c2Cl)c(OC)c1 818263559 GAAAJJBTZKKJLS-UHFFFAOYSA-N 443.743 5.093 30 20 IKED C=CCN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 896595445 RXTPAIOFSBGSQI-UHFFFAOYSA-N 444.856 5.113 30 20 IKED Cc1csc([C@H](C#N)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)n1 915100318 RWFMVURNEQPYBH-HXUWFJFHSA-N 432.936 5.377 30 20 IKED O=C1CCc2cc(C(=O)/C=C/c3cccc(NC(=O)c4ccc(Cl)cc4)c3)ccc2N1 915993767 YNXFWNOPSRMBEH-UUILKARUSA-N 430.891 5.373 30 20 IKED O=C(Nc1cccc(/C=C\C(=O)c2ccccc2OC(F)F)c1)c1ccccc1Cl 916140353 OBQZXZNTSFFAIV-SEYXRHQNSA-N 427.834 6.090 30 20 IKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCCC2)c1 916205047 DGDOTNZXBFROAC-FQEVSTJZSA-N 425.529 5.037 30 20 IKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(Cl)cc1 916210387 CWSPFPLCFOPFPK-LJQANCHMSA-N 445.972 5.109 30 20 IKED CC(=NNc1ccnc2cc(Cl)ccc12)c1ccc(OCC(=O)N2CCCCC2)cc1 916269502 SSXRRYVJEQIAQM-UHFFFAOYSA-N 436.943 5.116 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 916898772 GATWWZFRHLBEHC-LJQANCHMSA-N 443.553 5.550 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc2cccc(Cl)c2c1Cl 916906698 JCGUTAJJAMJKOH-CQSZACIVSA-N 445.371 6.294 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)cc1 916910614 AQWHJKWEFBMNFP-LJQANCHMSA-N 439.537 5.257 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 916936295 GRDZROYCXGCBKB-AWEZNQCLSA-N 448.306 5.526 30 20 IKED N#C[C@@H](C(=O)Cc1ccc(Cl)c(Cl)c1)c1nc2cc(C(F)(F)F)ccc2s1 917043300 KLIOEYOZOMKKCT-NSHDSACASA-N 429.250 6.041 30 20 IKED COc1ccc(CCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1Cl 917043468 KQSQWABXXBZZNS-ZDUSSCGKSA-N 438.858 5.786 30 20 IKED CN(Cc1cccc(NC(=O)c2ccccc2-c2ccccc2C#N)c1)C(=O)OC(C)(C)C 917112911 IBVUNGYOJOJSFQ-UHFFFAOYSA-N 441.531 5.844 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ccc(C#N)cc2)cs1 920373758 IUVPAYPDTIYVDO-UHFFFAOYSA-N 429.427 5.164 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)[C@H](C)Sc3ccccc3)cc2)CCC1 1786287839 NBKDSFVEVHAQNA-SFHVURJKSA-N 440.634 5.221 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnn(C(C)(C)C)c3Cl)cc2)CCC1 1787130393 WFNTXXIMKCRSDF-INIZCTEOSA-N 442.991 5.251 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(F)c(F)c3C)cc2)CCC1 1792116852 PTNPFXXMDYLBCQ-UHFFFAOYSA-N 442.506 5.004 30 20 IKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792123071 IDDBCZAYHYHTKA-HTAPYJJXSA-N 435.593 5.016 30 20 IKED CC(C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@@H](C)C#N)c1)C2)c1ccccc1 1793209182 KMFWQBGCCPMEGH-WBZPMCRCSA-N 443.591 5.005 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C)cc2C)[C@H]1c1cccnc1 1810505340 RJYXSNMZFDFYKY-VWNXMTODSA-N 433.596 5.010 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cnc2Cl)CC1 1826191592 FMBBLZSRAKMSNE-RBBKRZOGSA-N 444.019 5.045 30 20 IKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccccc23)CC1)C(F)(F)F 1828010975 FPPLAOPEQOJYFV-QFIPXVFZSA-N 444.497 5.192 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(OCC)c2)CC1 1828827355 LRUPFJKUQARFNW-RPBOFIJWSA-N 438.612 5.087 30 20 IKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830494236 RMJKXEDLVKQHKV-VWLOTQADSA-N 445.563 5.016 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)Sc2cccs2)CC1 1832030568 QOQVLGZIATUCFE-TZIWHRDSSA-N 446.682 5.042 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2OCC)nnc1-c1ccc(Cl)cc1 16862778 CZXRFNAGEQSIHL-OAHLLOKOSA-N 442.972 5.303 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc3c(c2)CCCC3)cc1 22730084 DYQSXCYXIUSFQY-UHFFFAOYSA-O 431.581 5.303 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](CCC(C)C)c1ccc(Cl)cc1 59317339 HCDWIJNXBRFMRX-QFIPXVFZSA-N 437.975 5.098 30 20 IKED N#CCCCOc1cccc(NC(=O)c2csc(-c3cc(Br)cs3)n2)c1 108594158 FSEYPRVQCMPLSH-UHFFFAOYSA-N 448.367 5.569 30 20 IKED COc1cccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2SCCCCC#N)c1 195534686 JVLKMTLBGQKQCN-KQWNVCNZSA-N 433.577 5.989 30 20 IKED CCN(C(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 220106338 ODBYJQZWZURHFO-NRFANRHFSA-N 433.555 6.234 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(OC)cc3)n2)nnc1-c1ccccc1OC 248243995 KNKSQTGHIRBOAK-UHFFFAOYSA-N 434.521 5.096 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)c1 303519501 CTSMRVIVUHQDNS-UHFFFAOYSA-N 448.482 5.037 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 303690205 PJVOQZMXCIJAKA-UHFFFAOYSA-N 426.357 5.215 30 20 IKED Cc1nn(C)c(C)c1[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)C(F)(F)F 429597445 KZLSGQUBTPXYOT-FQEVSTJZSA-N 444.482 5.093 30 20 IKED Cc1nc([C@H]2CCCOC2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 429684591 UJURKSJRGJXZOB-GOEBONIOSA-N 443.981 5.613 30 20 IKED CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cc(C#N)ccc1OC 430414584 CRIOILXRTSSDNP-UHFFFAOYSA-N 430.291 5.733 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1noc(Cc2ccccc2)n1 431401319 OGDDLMZHJLTJCX-QGZVFWFLSA-N 439.475 5.207 30 20 IKED COc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1F 434088350 WBIDFJITVQAWDE-UHFFFAOYSA-N 432.451 5.408 30 20 IKED C=CCC[C@@H](NC(=O)[C@H](C)SCc1nc(O)c2c(C)c(C)sc2n1)c1ccccc1 435301066 VVDCARBQISTEOI-FUHWJXTLSA-N 441.622 5.459 30 20 IKED CC[C@@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(F)cc2C#N)c2cccs2)cc1 435634681 HHYHAMOIJKXVRW-QRQCRPRQSA-N 435.524 5.117 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 435764146 XNNQZANYALDJCD-UTKZUKDTSA-N 425.319 5.091 30 20 IKED CCCOc1c(Br)cc(C(=O)N(C)c2cc(Cl)ccc2C#N)cc1OC 436005490 XLISSLIFNVIBCE-UHFFFAOYSA-N 437.721 5.048 30 20 IKED CC[C@@H](C)Oc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 437252796 GHKQNOGEFVFBQT-QGZVFWFLSA-N 429.476 5.105 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(-c2cccnc2)cc1 437976601 KBMUVMAPDGYGOM-UHFFFAOYSA-N 448.526 5.829 30 20 IKED N#Cc1ccc(CSc2nnc(-c3ccc(OC(F)F)cc3)o2)c(OC(F)F)c1 439539168 CFNDOKJIBKDJKG-UHFFFAOYSA-N 425.363 5.103 30 20 IKED N#CCSc1ccccc1NC(=O)CN1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 439948482 YUFKWZUGKHIERL-IBGZPJMESA-N 433.499 5.487 30 20 IKED C=CCC[C@@H](NC(=O)CCCc1ccc2c(c1)CC(=O)N2)c1ccc(C(F)(F)F)cc1 441578262 DTAWGULGSDPCGR-HXUWFJFHSA-N 430.470 5.346 30 20 IKED CC(C)c1nc([C@@H]2CCCCCN2C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)no1 442058278 XGBINTZYEJVTTE-HNNXBMFYSA-N 437.422 5.112 30 20 IKED C=CCC[C@H](NC(=O)Nc1cc(C)nn1C1CCOCC1)c1ccc(C(F)(F)F)cc1 442226635 PYBNQTJFRXNMCO-IBGZPJMESA-N 436.478 5.391 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(C(=O)N(C)CC(C)(C)C)c3)n2)cc1 442676637 HHKALHICFWYSKG-NRFANRHFSA-N 445.588 5.727 30 20 IKED CC(C)c1oc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2C#N)nc1-c1ccccc1 442836181 HOAHXCRNHQHMON-IBGZPJMESA-N 439.512 5.002 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(-c2nc(-c3ccc(-c4nnco4)cc3)no2)cc1 445396020 ZASBCBFXGYHDTQ-UHFFFAOYSA-N 425.379 5.257 30 20 IKED N#Cc1cccc(COc2ccc(N3C(=O)[C@@H]4C[C@@H](C5CCCCC5)CN4C3=O)cc2F)c1 445956276 HCUBCZMQCDEFPW-OFNKIYASSA-N 447.510 5.014 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 447419580 VCMVSVSIPVWSMN-QGZVFWFLSA-N 447.516 5.678 30 20 IKED C[C@]1(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCCN(C(=O)c2ccccc2)C1 460166746 WDTHSKXXHLGASD-MHZLTWQESA-N 439.515 5.232 30 20 IKED Cc1ccccc1-n1nc(C)c2cc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)sc21 464407746 HFXZHFLPKZHIDA-INIZCTEOSA-N 440.450 5.608 30 20 IKED CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)c12 464471053 XKHCJPVRKKOLDD-OAHLLOKOSA-N 442.441 5.593 30 20 IKED C=C(C)CN1CCC(NC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)Cc2cccs2)CC1 465856078 FAAAGCOUCKHNEA-IBGZPJMESA-N 446.060 5.585 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)CC(c3ccccc3)c3ccccc3)ccc21 469949721 DBNRMRIGHHHROQ-UHFFFAOYSA-N 437.543 5.430 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3[nH]c4ccc(Cl)cc4c3Cl)ccc21 470851811 LEAWDWWDMYPFFD-UHFFFAOYSA-N 441.318 5.310 30 20 IKED CN(C(=O)c1cc2nccnc2cc1F)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 471102264 WOKQDIILXAVUFS-INIZCTEOSA-N 431.311 5.163 30 20 IKED CC(C)(C)n1ncc(C(=O)Nc2cc(F)cc(NCC(F)(F)F)c2)c1C(F)(F)F 473237628 ICKGGCJFBAXHIW-UHFFFAOYSA-N 426.336 5.023 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(Oc2ccccc2OC)cc1 477323548 YPFKGOQSKUQQJK-UHFFFAOYSA-N 427.504 5.257 30 20 IKED CCOC[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C1 477793033 GDLAGQLWDLWVPM-HNNXBMFYSA-N 433.430 5.260 30 20 IKED Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 481438086 IASYSDXLNHOPHM-UHFFFAOYSA-N 448.567 5.363 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)c1cnc2ccccc2n1 483216098 TWNBXPGTMMENMU-KRWDZBQOSA-N 439.862 5.219 30 20 IKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)[C@H](C#N)c1nccc2ccccc12 483247817 YOAVNIPMISPHNT-XMMPIXPASA-N 447.494 6.062 30 20 IKED C=CCN(CC1CCCCC1)C(=O)N[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 483941443 OGIDATIPHIDKTB-HXUWFJFHSA-N 437.584 5.508 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)nnc1-c1ccccc1C 488899053 NNCXHTYANYMOML-HKUYNNGSSA-N 438.622 5.345 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C(=O)N3CCc4ccccc43)C(C)C)o2)cc1 489777399 JWCQAKBZMJLGDI-NRFANRHFSA-N 435.549 5.007 30 20 IKED N#Cc1ccc(Br)c(CNc2ccc(C(=O)N3CCc4ccccc43)cc2)c1 492723049 PBGRGVMSHNLDGI-UHFFFAOYSA-N 432.321 5.136 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cc1 495071335 XMYOSBKZEZRXOY-LJQANCHMSA-N 446.576 5.446 30 20 IKED CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CSc2ccc(C#N)cn2)cc1 495272050 IVAILTIJJZBXAB-UHFFFAOYSA-N 439.924 5.528 30 20 IKED N#CCN(C(=O)c1cc(/C=C/c2cccs2)nc2ccc(Br)cc12)C1CC1 495499441 IKMAVQDUSDKZIR-QPJJXVBHSA-N 438.350 5.357 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1c(F)ccc(Br)c1F 503319837 IFZVFUUJBRBYAL-LLVKDONJSA-N 425.298 5.303 30 20 IKED CC(C)(NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccs1 506310229 WBKNKIHYLYCOLR-SFHVURJKSA-N 437.952 5.047 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CCCc2nc(-c3cccs3)no2)cc1 507919603 KLRKIIMXSPHUFI-UHFFFAOYSA-N 430.489 5.423 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(=O)Nc1cc(Cl)ccc1SC(C)C 507988551 GRLDNAPUHWQZHZ-UHFFFAOYSA-N 449.020 5.161 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2c(F)cccc2Cl)cc1 508290084 FRVORERWBHLQAO-UHFFFAOYSA-N 439.874 5.816 30 20 IKED Cn1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C(C)(C)C)n1 510573283 WBNTWHHTLDVOPR-CYBMUJFWSA-N 433.364 5.638 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)c1 513041020 MSUWMRCSBXRPQD-UHFFFAOYSA-N 445.693 5.418 30 20 IKED CC(C)N(Cc1cccc(F)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 513983016 KPNJVTAKRRXNFD-UHFFFAOYSA-N 431.511 5.913 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)c2cccc(Cl)c2)nnc1-c1ccc(Cl)cc1 514225103 LHSRTWAMEVLADM-AWEZNQCLSA-N 447.391 5.407 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)c1nc2ccccc2o1 516710886 ZDXKBUTZFRFELD-MRXNPFEDSA-N 428.835 5.417 30 20 IKED COc1ccc(C(C)=O)cc1CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 517461742 NHYWDISSUYXXKS-UHFFFAOYSA-N 436.455 5.104 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccccc1Br 519431936 XLZXNAWTOTUCBH-AWEZNQCLSA-N 435.412 5.715 30 20 IKED C[C@@H](Oc1ccc2ccccc2c1)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C 520291089 PFHSVFQWQYEFDH-LJQANCHMSA-N 435.531 5.274 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1ncnc2sc3c(c12)CCC3 521720940 YVQDWHSLZQTQLY-CYBMUJFWSA-N 440.619 5.305 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 522605688 MJBAGRAQEUHHKT-PMERELPUSA-N 425.598 5.296 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](Cc1ccccc1)c1sccc1C 522953631 MZTNCKCDJIOHEZ-NRFANRHFSA-N 434.561 5.196 30 20 IKED CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 523950813 IJBYODVXMKXDPO-UHFFFAOYSA-N 440.286 5.868 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(Br)ccc3F)cc2)c1 524385828 VXUDCIJTSQRURY-UHFFFAOYSA-N 425.257 5.291 30 20 IKED CC(C)(C)c1noc2ncc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc12 524430869 LTHKKQKFHIAYRO-ZDUSSCGKSA-N 438.459 5.412 30 20 IKED CC(=O)Nc1cc(NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)ccc1F 538340805 MAKAUYVKUHFXRL-HNNXBMFYSA-N 437.315 5.228 30 20 IKED N#Cc1cc(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)ccc1Cl 539370446 VKWZCDMBBSOVRT-UHFFFAOYSA-N 426.307 5.102 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(C(=O)OC)cc3)n2)nnc1-c1ccccc1C 541077312 PEKUVBVNDLCEBH-UHFFFAOYSA-N 446.532 5.173 30 20 IKED C[C@@H](NC(=O)N1CCC(OCc2ccccc2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 541156824 DNWDAKHBAUHDNE-OAQYLSRUSA-N 439.559 5.677 30 20 IKED N#CCC1CCN(C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 541951694 IIVAMOJMNGMBST-QFIPXVFZSA-N 433.379 5.086 30 20 IKED CCO[C@H](C)c1nc(CN(C)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cs1 543016009 CPGATAIVWJIVFJ-QZTJIDSGSA-N 448.592 5.682 30 20 IKED N#C[C@H](C(=O)c1csc(C(F)(F)F)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 551507867 WYFLNYXYEGWSHV-SECBINFHSA-N 448.278 6.082 30 20 IKED CCOC1CC2(CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)C2)C1 558312856 ISLZMJLNBYITQU-UHFFFAOYSA-N 425.916 5.427 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1c(C)c(C(C)(C)C)nn1-c1ccccc1 558371615 LCLVMLSJMUALSK-UHFFFAOYSA-N 436.556 5.174 30 20 IKED CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=O)c1ccc(C#N)cn1 558665390 JTGHGUFBYCNMJF-JOCHJYFZSA-N 439.437 5.254 30 20 IKED CCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)C(c1ccccc1)c1ccccc1 569015693 MQABFUHKRDWOEJ-OAQYLSRUSA-N 443.616 5.988 30 20 IKED C=C(C)COc1cc(CN[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)ccc1OC 569631494 DLWDNGOTGUPWIH-LJQANCHMSA-N 448.538 5.892 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)[C@@H](C#N)c1nc2ccccc2s1 570001001 KHDWRWJMPPKKEE-CQSZACIVSA-N 427.407 5.769 30 20 IKED COc1cccc(/C=C(\CC(=O)NCC(C)(C)CCC#N)c2nc3ccccc3s2)c1 580360822 MJSHZNKOQCIGGH-XMHGGMMESA-N 433.577 5.682 30 20 IKED CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603692389 SAFATTMYPDBQLW-UHFFFAOYSA-N 442.397 5.308 30 20 IKED C[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1ccc(OC(F)F)cc1 604044187 AJMMNOOBDNBICH-INIZCTEOSA-N 437.446 5.178 30 20 IKED Cc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(C)c1 604464148 AUVOYDIFXVLWNQ-IBGZPJMESA-N 427.504 5.126 30 20 IKED C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1nc2ccccc2[nH]1 608792493 JHUOUVOZUFQKON-KRWDZBQOSA-N 427.483 5.047 30 20 IKED CCC[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1cccc(C(F)(F)F)c1 608865821 WLKCFTKKXJQHTG-IBGZPJMESA-N 431.458 5.103 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(F)c(Cl)cc1Cl 609061765 HLRMYGYFWKHEGS-UHFFFAOYSA-N 429.278 6.144 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)CSc3ccc(C(F)(F)F)cn3)c2)cc1 609176538 MAYLFWFKRBVLOK-UHFFFAOYSA-N 429.423 5.495 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1 609377348 VNHMMNXQYXTKHC-HJPURHCSSA-N 438.499 5.975 30 20 IKED C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)NC(=O)C1CCCCC1 609381651 FADZBDDPUAQKDO-AWEZNQCLSA-N 441.519 5.125 30 20 IKED C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1 609387046 HORIIRMTFQAHRG-MOPGFXCFSA-N 431.561 6.170 30 20 IKED C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)Nc1ccccc1S[C@H](C)CC#N 609437045 MELROBGPDSRLHV-MOPGFXCFSA-N 435.618 6.938 30 20 IKED COc1cc(-c2noc(-c3ccc(COc4ccc(C#N)cc4)o3)n2)cc(Cl)c1OC 609475123 SXVQSRAHPVMNTP-UHFFFAOYSA-N 437.839 5.118 30 20 IKED CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(C)c1 609502463 TZMVRSWNHJFBGY-LJQANCHMSA-N 441.531 5.634 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccccc2OC[C@H]2CCCCO2)CC1 609553105 OQVSVLOYSGAREY-LZBANZJXSA-N 449.551 5.018 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CNc2cccc(C(F)(F)F)c2)cc1 609581713 CNHQLMKVPJLHBK-UHFFFAOYSA-N 439.437 5.401 30 20 IKED CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccccc1Cl 609690215 REJCNXFRFVYFFS-YWZLYKJASA-N 429.973 5.044 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)c1 609723094 LSMSIQCEPOSMNN-UHFFFAOYSA-N 445.906 5.492 30 20 IKED C[C@H]1CN(Cc2ccccc2NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@H](C)O1 609991644 XKYFWFQILRNUQW-PMACEKPBSA-N 440.547 5.163 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 610322750 POEFXEPRERGCJL-QHCPKHFHSA-N 440.547 5.397 30 20 IKED CCN(CC)CCCC1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 611815229 CQJOWIXJDUHEQT-UHFFFAOYSA-N 435.572 5.111 30 20 IKED C=CCOc1ccc(C(=O)N[C@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1OC 613848291 FKQLAUSSBQJDLO-GOSISDBHSA-N 445.519 5.395 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)CSc1ncnc2scc(-c3ccccc3)c12 618785942 NUADUHGWGIGXGE-HXUWFJFHSA-N 442.569 5.126 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCOc3cccc(F)c3C2)cc1Cl 619787417 LBAGOLDNZSPUBY-LJQANCHMSA-N 435.886 5.561 30 20 IKED COc1ccc([C@H](C)NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F 642663850 ATAILXWEBDXIGN-MVWJERBFSA-N 430.364 5.104 30 20 IKED O=C(NCCc1ccccc1OC(F)F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 682631276 IVTISSFHUCAOEY-RYUDHWBXSA-N 448.354 5.039 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(CC)Cc2c(F)cccc2F)c1=S 725781673 QFLHNAFDTNRVNZ-UHFFFAOYSA-N 430.524 5.033 30 20 IKED N#CCOc1cccc(NC(=O)c2oc3ccccc3c2COc2ccccc2Cl)c1 726502127 IDMSJHZNJVFIKW-UHFFFAOYSA-N 432.863 5.820 30 20 IKED N#CCCCOc1cccc(/C=C2/SC(=S)N(c3ccccc3C(F)(F)F)C2=O)c1 726802240 XUXXMHKEZCVBKP-QGOAFFKASA-N 448.491 5.794 30 20 IKED CC(=O)Nc1ccc(/C=C/C(=O)c2sc(/C=C/c3ccc(NC(C)=O)cc3)nc2C)cc1 726848636 SOYZQHPJIHHVQB-VOMDNODZSA-N 445.544 5.435 30 20 IKED N#CCOc1ccc(CNCc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)cc1 729685291 DXGZAWFVRNZRIS-UHFFFAOYSA-N 448.526 5.537 30 20 IKED Cc1ccc(C(=O)N[C@H](CC(=O)N(CCC#N)c2ccc(C)cc2)c2ccccc2)cc1 729841128 FKSWFYJSGRRRKN-RUZDIDTESA-N 425.532 5.112 30 20 IKED N#C[C@H](C(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1)c1ccc2ccccc2n1 730071540 PCIXLFUQJDTPDC-UQBPGWFLSA-N 430.479 6.223 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 732495851 IRHWYMPAFUDGKD-SBUREZEXSA-N 438.487 5.220 30 20 IKED C[C@@H]1CN(c2ccc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)cc2)C[C@@H](C)O1 734322922 PRFYHHOFPBMRQS-WOJBJXKFSA-N 441.531 5.003 30 20 IKED N#CCOc1ccc(Cl)cc1CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 735230753 IGICDEBDXODSPB-MRXNPFEDSA-N 446.985 5.034 30 20 IKED COC(=O)NCc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 735366679 JAIGKKZXTGYDQL-UHFFFAOYSA-N 430.464 5.159 30 20 IKED O=C(Nc1cccc(/C=C/C(=O)c2c(Cl)nc3ccccn23)c1)c1ccccc1Cl 737447993 BRFRXJKQSIXWRL-VAWYXSNFSA-N 436.298 5.790 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2CCSC[C@H]2c2ccc(Cl)cc2)c1=S 738253120 DUMXVRDJLDEUMG-IBGZPJMESA-N 444.029 5.063 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)OCc1nnc(-c2cccc(Cl)c2)o1 740327034 DJVVCSYYRHYEJB-UHFFFAOYSA-N 438.789 5.331 30 20 IKED Cn1cc(/C=C/C(=O)c2cccc(-c3ccncc3)c2)c(-c2ccc3c(c2)OCCCO3)n1 741471923 CZMSBMYCNTZBFK-SOFGYWHQSA-N 437.499 5.207 30 20 IKED COc1ccc(CON=Cc2cccc(OCc3ccncc3)c2)cc1SC(F)(F)F 742354597 LVTJNIMFXBRWBR-UHFFFAOYSA-N 448.466 5.832 30 20 IKED N#CCCn1cc(C=NNc2nc3cc(C(F)(F)F)ccc3s2)c(-c2ccccc2)n1 743445274 MOJZSUNYSSOAKJ-UHFFFAOYSA-N 440.454 5.538 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3cc(-c4cccs4)nc4ccccc34)o2)cc1 744492431 OEIMKHWOTPDCEI-UHFFFAOYSA-N 438.468 5.242 30 20 IKED CCOc1ccc(C=NOCc2ncc(-c3ccc(Br)cc3)o2)cc1OC 754279739 NXFAYOBUZQSMML-UHFFFAOYSA-N 431.286 5.062 30 20 IKED CC(C)c1nn(Cc2ccccc2)c(Cl)c1/C=C\C(=O)c1ccc(C(F)(F)F)nc1O 754686586 UCBLODRDOYLPLC-NTMALXAHSA-N 449.860 5.724 30 20 IKED Cc1nc2ccc(C(=O)[C@H](C#N)C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)cc2s1 764088000 RXIRFAUYXDYIRP-BMIGLBTASA-N 432.332 5.111 30 20 IKED N#C[C@H](C(=O)CCCc1ccccc1Br)c1nc2ccccc2n1C(F)F 766265381 VVTJEUHHDYKHNO-CQSZACIVSA-N 432.268 5.393 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccccc2)Cc2ccc(F)cc2)c1 768943140 DFTLMMSFWQCOMO-DEOSSOPVSA-N 431.511 5.419 30 20 IKED CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1cn(CCCC#N)c2ccccc12 769545477 WFMICBVPIRULEH-UHFFFAOYSA-N 445.563 5.987 30 20 IKED COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cc1C(F)(F)F 769616279 MWKSVIGETURARR-UHFFFAOYSA-N 425.300 5.141 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 777827192 XTBVUQRYQCRIAI-FQEVSTJZSA-N 444.531 5.221 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)CSc1ccc(C#N)cc1 778022396 NJTRDMZTRXHQLW-OAQYLSRUSA-N 437.565 5.191 30 20 IKED CCN(C(=O)c1cc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)ccc1Cl)C(C)C 785999078 QGQXJKOSKQKYOL-UHFFFAOYSA-N 438.915 5.027 30 20 IKED CC[C@H](NC(=O)[C@H](C#N)C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)c1ccccc1 787039641 SHUWNZSEGLNBJJ-NLZJUVDPSA-N 434.845 5.262 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1cn(C(C)(C)C)nn1)C(=O)c1ccccc1 790216081 VGZKKLMEDMGYLO-JWGURIENSA-N 430.552 5.063 30 20 IKED C[C@@H]1CCCN(c2ccc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)cc2[N+](=O)[O-])C1 797571363 QVCIWABFAHUFHR-ZBFHGGJFSA-N 426.542 5.075 30 20 IKED Cc1ccc(C(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)cc1C#N 799335322 YAYSKHBUIBVZOQ-UHFFFAOYSA-N 428.467 5.243 30 20 IKED CCOC(=O)[C@@H]1C/C(=C/c2csc(-c3cccc([N+](=O)[O-])c3)n2)C(=O)c2ccccc21 802708496 VBXSXRVQKFCPGL-CKOFDZGGSA-N 434.473 5.035 30 20 IKED CC(C)(C)OC(=O)N1CCCc2c(CNC3CCN(c4ccc(C#N)cc4)CC3)cccc21 806182535 VWCWMPCLUVJMHO-UHFFFAOYSA-N 446.595 5.005 30 20 IKED Fc1ccc2ccc(C=Nn3c(S)nnc3Cc3cccc4ccccc34)nc2c1F 814730820 GLWUMCOHNIWOOK-UHFFFAOYSA-N 431.471 5.019 30 20 IKED N#Cc1ccc(N2C[C@@H](c3nc(-c4ccc(-c5ccccc5)cc4)no3)CC2=O)cc1Cl 904550673 NCCUZEARRFJVFQ-FQEVSTJZSA-N 440.890 5.449 30 20 IKED CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915180183 LNHFXJPAAHKJON-HXUWFJFHSA-N 440.528 5.675 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(NC(=O)C2CC2)cc1 915354192 WTZRMLZNUBWSFB-IQGLISFBSA-N 438.531 5.573 30 20 IKED N#Cc1cccc(OCC(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1 916096930 DTNNVKANCZVVSF-OAQYLSRUSA-N 429.907 5.020 30 20 IKED CCOc1cc(/C=C\C(=O)c2cc(Cl)c(OC)cc2OC)cc(Br)c1O 916154481 GYBFCUBTIYXMSY-WAYWQWQTSA-N 441.705 5.120 30 20 IKED Cc1sc2ncn(N=Cc3ccc(N4CCCCC4)cc3)c(=O)c2c1-c1ccccc1 916284110 LVANPBLNHBTZMY-UHFFFAOYSA-N 428.561 5.306 30 20 IKED COc1ccc(-c2csc3ncnc(NN=C(C)c4ccc(-n5ccnc5)cc4)c23)cc1 916357198 DXDBRYGXRKPMHZ-UHFFFAOYSA-N 440.532 5.389 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1sc2ccccc2c1Cl 916883775 OOUJZZGYXYZSKU-ZDUSSCGKSA-N 436.892 5.831 30 20 IKED N#C[C@@H](C(=O)/C=C/c1ccccc1OC(F)(F)F)C(=O)Nc1cc(Cl)cc(Cl)c1 916946422 UCSHWVXHQQWFHK-NFAHFFEMSA-N 443.208 5.253 30 20 IKED CC(=O)Nc1ccc(S[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 916977104 JPKGECOWHOOHAL-FOIQADDNSA-N 435.574 5.434 30 20 IKED N#C[C@H](C(=O)c1cc(Cl)c2c(c1)OCCO2)c1nc(-c2ccc(Cl)cc2)cs1 916977112 JTKIANQAWWNGMM-CQSZACIVSA-N 431.300 5.378 30 20 IKED N#C[C@H](C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)c1nc(-c2ccncc2)cs1 920264974 GTYXXVMNKWKGRY-WSSFADSRSA-N 431.517 5.962 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccsc4)cc3)CCC2)cc1 1788187591 XZWOEAWTRCPZQH-UHFFFAOYSA-N 443.572 5.195 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4ccc(F)cc34)cc2)CCC1 1789331651 OZYAGVOSLZXLRO-HXUWFJFHSA-N 446.526 5.218 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cccc4ncsc34)cc2)CCC1 1789344445 QCGWZNFSIYTPFX-UHFFFAOYSA-N 441.503 5.255 30 20 IKED C[C@@H](Sc1cccs1)C(=O)Nc1ccc(C2(NC(=O)C3(C#N)CCC3)CCC2)cc1 1789417169 AZKREKZTRRKMKQ-MRXNPFEDSA-N 439.606 5.057 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4cccs4)on3)cc2)CCC1 1789775954 GMYJKZXUAJHWAH-MRXNPFEDSA-N 435.549 5.363 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cccc(C(F)(F)F)c3F)CCC2)cc1 1792268592 QYMPVEVLJARZQX-UHFFFAOYSA-N 432.417 5.006 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3ccoc3c2)n[nH]1 1821458302 XHLUPHASVZGABS-FPOVZHCZSA-N 432.524 5.230 30 20 IKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)[nH]n1 1822584485 RHDKJMZBIQQBDO-GNXKAVGDSA-N 438.616 5.202 30 20 IKED CC(C)C1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)CCC1 1823216163 PJEJJQMXDRYQEP-XMSQKQJNSA-N 447.583 5.169 30 20 IKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)o2)CC1)c1ccccc1 1824687035 RTIVJANFOZXCMW-JWQCQUIFSA-N 446.591 5.019 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(F)c2Cl)CC1 1828827678 RGLCTEMWPJNIAF-DENIHFKCSA-N 446.994 5.481 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 1828827862 XYZVRRMKCNRUQF-OZXSUGGESA-N 447.623 5.099 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccncc23)CC1 1830862013 MWFHWRRPUAOGKQ-OZXSUGGESA-N 445.607 5.237 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2sc3ccccc3c2Cl)C1 1843710285 GZEAOWBZOZIRFL-UHFFFAOYSA-N 431.001 5.364 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)nnc1-c1cccc(C)c1 16862913 GYGOOQNLUAJDOA-HNNXBMFYSA-N 446.498 5.578 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)cc1 25437616 QWFGDTZJCFJAOE-UHFFFAOYSA-N 426.545 5.909 30 20 IKED C=CCN(C(=O)CSc1nc(C)c(C)c(C)c1C#N)c1nc(-c2ccccc2)cs1 57485149 JDTWBGFFEGWTHP-UHFFFAOYSA-N 434.590 5.313 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 62905713 PEEBORGDVMOWPY-UHFFFAOYSA-N 449.963 5.662 30 20 IKED C=CCOc1ccc(C(=O)N2CCC(N(C)Cc3cccc(C(F)(F)F)c3)CC2)cc1 64448263 WAYDBTACMJHFBS-UHFFFAOYSA-N 432.486 5.007 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2ccc(C)c(C)c2)c1 71793487 UGYYBNJXQRKMQY-UHFFFAOYSA-O 434.541 5.167 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CCc1nc(-c2cccs2)no1 216876221 OAGCKFQTDXGETB-UHFFFAOYSA-N 448.935 5.489 30 20 IKED CCc1ccc([C@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)N(C)C)cc1 255951295 FYWOGSWHXWAQEN-VWLOTQADSA-N 443.616 5.446 30 20 IKED Cc1cccc(-c2ccc(CNC(=O)CCC(=O)N(CCC#N)c3ccccc3)cc2)c1 303647866 AHWFILQYZIAPEK-UHFFFAOYSA-N 425.532 5.005 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 410284527 WFAPMIACJRFGJZ-NRFANRHFSA-N 442.588 5.262 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3cccc(C(F)(F)F)c3F)s2)cc1 429939023 GNHUVFLBAGBEOL-UHFFFAOYSA-N 438.431 5.112 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1F)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 435600094 YDIAZFZIDSFKOE-SECBINFHSA-N 441.372 5.731 30 20 IKED COc1ccc(-c2ncc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)s2)cc1OC 436018352 CVJTZGPWWNRPLP-HNNXBMFYSA-N 448.331 5.129 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 437615520 PJGRVRBTGFIELB-ICSRJNTNSA-N 439.441 5.195 30 20 IKED C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1nc(-c2cccc(F)c2)no1 438036185 NFSKAPJMXKEEGK-OAHLLOKOSA-N 443.438 5.422 30 20 IKED CO[C@H](C)c1nc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cs1 438629390 QTULJQNHOJGEKG-AUUYWEPGSA-N 440.956 5.481 30 20 IKED Cc1cccc(COc2cccc(NC(=O)C(=O)Nc3ccccc3SCCC#N)c2)c1 440243799 OGRVHOWWHBNCLE-UHFFFAOYSA-N 445.544 5.157 30 20 IKED Cc1ccnc(Oc2ccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)cc2)n1 440800927 XSLPWPJSRNBUNJ-UHFFFAOYSA-N 436.471 5.688 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccc(CS(C)(=O)=O)cc1)c1ccc(C(F)(F)F)cc1 442206323 FFJFCSONUSHXRS-IBGZPJMESA-N 440.487 5.079 30 20 IKED CCCn1ncnc1CN[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 447891084 PAAKPORUILMBPR-CYBMUJFWSA-N 434.306 5.119 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)Nc3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)s2)cc1 462837177 POZJMCHDBKBATF-CYBMUJFWSA-N 445.504 5.628 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@](CO)(c3ccccc3)C2)cc1Cl 463491021 OYDUBHBSHGKTCU-BVAGGSTKSA-N 445.950 5.163 30 20 IKED CCCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 464302196 XWLNDHHKBBPYTG-LJQANCHMSA-N 445.441 5.099 30 20 IKED CN(Cc1cc(Br)cn1C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 467572360 LWGHPDHEZZCCIY-UHFFFAOYSA-N 439.313 5.115 30 20 IKED CC(C)(C)c1nnc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1 467915298 CTWJAYLMFOSXEE-QGZVFWFLSA-N 439.972 5.466 30 20 IKED Cc1ccccc1-c1nc(C)c(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)s1 469949427 WEPOQWUFBMJSMR-UHFFFAOYSA-N 444.560 5.262 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)Nc2ccccc2)s1 474982717 AMGDJRVSSUTFJB-UXHICEINSA-N 430.533 5.304 30 20 IKED N#CC[C@H](CC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 476337741 QIXXQKHTBBKDQA-LJQANCHMSA-N 431.363 5.589 30 20 IKED Cc1coc(-c2ccc(C)c(NC(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)c2)n1 476566016 OMZPDCIVPYLJBU-UHFFFAOYSA-N 434.471 5.045 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1sc(-c2ccc(OCC(C)C)c(C#N)c2)nc1C 479741797 HZJXRXKSDVIYIL-UHFFFAOYSA-N 446.532 5.158 30 20 IKED C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(Sc2ccccc2C#N)cc1 480555343 ORQMTKSDYZLMOX-GOSISDBHSA-N 439.544 5.123 30 20 IKED C=C(C)Cn1c(SCC(=O)N2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)nnc1-c1ccco1 482495617 JVTBBSXRMVTVSF-SJLPKXTDSA-N 440.569 5.108 30 20 IKED CC(C)c1c(C(=O)Nc2ccccc2SC[C@H](C)C#N)cnn1-c1ccccc1Cl 485517766 IKSCMWYYFDEIPB-MRXNPFEDSA-N 438.984 6.153 30 20 IKED CC(C)Oc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cn1 487386517 IBUWJCWAFILVRT-UHFFFAOYSA-N 446.454 5.059 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1cccs1 489446993 JJIUQJMRDCKZAG-AWEZNQCLSA-N 433.002 5.582 30 20 IKED CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c12 503894769 UNUQBLQDTJRALP-UHFFFAOYSA-N 440.547 5.490 30 20 IKED CC[C@@H](C)n1c(SCC(=O)Nc2ccccc2SCC#N)nnc1-c1ccccc1 504288122 GZXPLJOEDWPITR-MRXNPFEDSA-N 437.594 5.263 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)cc1 504907930 HIZTUDKTDBGSBK-UHFFFAOYSA-N 442.825 5.233 30 20 IKED Fc1cccc(F)c1-c1nc(CN[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)co1 505850042 DIDOIWBSHRLQMS-INIZCTEOSA-N 436.302 6.032 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3csc(-c4ncccc4F)n3)cc2)c1 507263993 NKOGVYLDZPRCLS-UHFFFAOYSA-N 430.464 5.047 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1 507812766 PEIGJEJOHNNLBK-INIZCTEOSA-N 444.466 6.030 30 20 IKED C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(OCC2CCCC2)CC1 508699789 QSUYSSCPVAPPNW-UHFFFAOYSA-N 431.584 5.163 30 20 IKED C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](n2ncc3ccccc32)C1 508911392 ATZQBRWPBRFGPU-YLJYHZDGSA-N 448.958 5.059 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510214773 UMSREDWIRIOUBI-UHFFFAOYSA-N 448.577 5.018 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 510653144 ZLPNCXFPMOOANB-NRFANRHFSA-N 440.528 6.329 30 20 IKED Cc1cccc(C)c1OC[C@@H](C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 510843791 XALGXMDDYJSSEH-OAQYLSRUSA-N 443.547 5.538 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[C@@H](n3ncc4ccccc43)C2)c1 510925626 AOUTVPRGGLQYAL-LJQANCHMSA-N 442.906 5.441 30 20 IKED CCCOc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cs2)cc1 512948639 PWADHGRLGMJGDB-SFHVURJKSA-N 446.557 5.607 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1nc2ccccc2s1 513677545 YDKSBOXCPPGIPW-ZDUSSCGKSA-N 446.841 5.644 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4cccc(Cl)c4)c3)n2)cc1 516270075 MIVGOESMXKKZBX-IBGZPJMESA-N 429.892 5.011 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3ccc(OCC(F)(F)F)nc3)c2)cc1 517131846 UCZZPPBEROBJJX-UHFFFAOYSA-N 442.397 5.008 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 518166347 WYTJILWGBKPKTB-HOTGVXAUSA-N 437.569 5.105 30 20 IKED CN(C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C1(C#N)CCC1 520014994 VQQRORNTXQTKOA-LGMDPLHJSA-N 432.505 5.040 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H](c1ccccc1)C1CCC1 520643954 GFEWQDQBTRCMEW-VWLOTQADSA-N 439.515 5.255 30 20 IKED COc1ccc(-c2nsc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)n2)cc1 521361509 CLWLWJVWBOWTQL-UHFFFAOYSA-N 442.500 5.324 30 20 IKED CCCCN(C)CC1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 523954057 LSCUNCCGFCGRTN-UHFFFAOYSA-N 439.987 5.588 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CO[C@@H]2CCC[C@H](C)C2)c1 524044830 JRFYSNPHVOIHAD-NBGIEHNGSA-N 435.568 5.334 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1ccccc1C(F)(F)F 524120517 MGFJVSDOLZXNEF-UHFFFAOYSA-N 425.410 6.109 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1 536128081 YZXQWBXLWOCODN-UHFFFAOYSA-N 429.476 5.262 30 20 IKED COc1ccccc1COC1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 538783488 RSDNCPGXPHXXCH-SFHVURJKSA-N 439.581 5.303 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2ccoc2)C2CCCCC2)cc1 541973088 JVTHXONKXZJXLW-UHFFFAOYSA-N 443.547 6.291 30 20 IKED CNC(=O)c1cc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1Cl 542946830 ZIHSFTFJGCQDKC-OAHLLOKOSA-N 432.911 5.121 30 20 IKED C[C@@H](NC(=O)N1CC[C@@H](n2ncc3ccccc32)C1)c1ccc(-c2cccc(C#N)c2)cc1 543018051 UAKAQPMOQDLALM-KBMIEXCESA-N 435.531 5.293 30 20 IKED Cc1cc(NC(=O)N(C[C@H](C)C#N)C2CC2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 544601738 GIAHJSDTYXEKQW-LLVKDONJSA-N 425.842 5.009 30 20 IKED C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 546091514 WPEXFGBMFYLMOH-SFHVURJKSA-N 446.934 5.833 30 20 IKED CCOc1cc(CN2CCC(C#N)(c3ccccn3)CC2)ccc1OCc1ccccc1 548793881 QTVYAVLYWIIWDS-UHFFFAOYSA-N 427.548 5.117 30 20 IKED CCCN(C(=O)c1sc2ccc(C#N)cc2c1C)C1CCN(C(=O)c2ccccc2)CC1 550077144 YKDLMFHNMGMAGF-UHFFFAOYSA-N 445.588 5.238 30 20 IKED CN(C(=O)c1cccc(C(=O)N(Cc2ccccc2)c2ccccc2C#N)c1)c1ccccc1 552721962 XWOULBOAHGORIK-UHFFFAOYSA-N 445.522 5.682 30 20 IKED COc1cccc(OC)c1Oc1ccc(CNCc2ccc(C#N)cc2C(F)(F)F)cn1 557537800 OPNGMLSCKRQAKV-UHFFFAOYSA-N 443.425 5.071 30 20 IKED C=CCn1c(S[C@@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)nnc1-c1cccc(C)c1 558805846 QTVWFXGHUQHBHR-LAUBAEHRSA-N 436.556 5.033 30 20 IKED COc1ccc(CNCc2cnc(-c3ccc(Cl)cc3)s2)cc1OCCCC#N 560069842 ICJMHKJGZJLWDA-UHFFFAOYSA-N 427.957 5.444 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1)[C@H]1C[C@@H]1C 561654459 MUZLTZFIFJFVJP-GKVSMKOHSA-N 425.488 5.364 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@@H](C)C[C@@H]1c1ccccc1F 565568111 ZUWCXBWHPOWLJI-RYSNXRDVSA-N 432.543 5.436 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)Nc3ccc(C#N)c(F)c3)C2)n1 566531804 BKTMYYQLDRKYDY-MRXNPFEDSA-N 436.512 5.241 30 20 IKED C=CCC(C)(C)c1noc([C@@H]2CCCN(C(=O)c3ccc(Br)cc3C)C2)n1 568775723 BBJQQNLRNJOUDA-OAHLLOKOSA-N 432.362 5.014 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC(c4ccc(Cl)cc4)CC3)cc2)ccn1 571725061 STJJXPJJMVYDHI-UHFFFAOYSA-N 432.911 5.810 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Oc3ccc(CO)cc3)cc2)c1 579144765 QXFGVDXGZCGUEG-UHFFFAOYSA-N 440.455 5.267 30 20 IKED CC(C)[C@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1cccc(C(F)(F)F)c1 581535987 JSMLQGUGCDIFGB-FQEVSTJZSA-N 430.474 5.064 30 20 IKED N#CCCn1ncc(-c2nc(-c3ccccc3OCc3ccccc3)no2)c1-c1ccccc1 581698982 GJOLHSWUGBFUEA-UHFFFAOYSA-N 447.498 5.760 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)COC(c3ccccc3)c3ccccc3)cn2)c1 603624303 ZSKGNKYBDBHWIN-UHFFFAOYSA-N 435.483 5.490 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(-c4cccc(F)c4)n3)cn2)cc1 603764889 OVDXXFHRWFLZTL-UHFFFAOYSA-N 430.464 5.189 30 20 IKED CCc1cc(C#N)c(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)s1 604028713 MGRLYLULNIGCJA-UHFFFAOYSA-N 430.536 5.259 30 20 IKED O=C(Nc1ccc(F)c(Br)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 608336439 ONSNIPHVZSVERU-YUMQZZPRSA-N 437.153 5.183 30 20 IKED Cn1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C2CCCCC2)n1 608847509 NMXJXJGFSWCSOU-OAQYLSRUSA-N 432.955 6.029 30 20 IKED Cc1nc(-c2ccc(CCNC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cc2)cs1 609055893 WAZNVKIBWTYESZ-UHFFFAOYSA-N 443.528 5.135 30 20 IKED COc1ccc(CCC2CCN(C(=O)Nc3cc(C#N)ccc3OC(F)F)CC2)cc1 609080804 NUSNTSKFJAXUGQ-UHFFFAOYSA-N 429.467 5.045 30 20 IKED COc1cc([C@@H](C)NC(=O)c2cc3ccccc3n2CC#N)ccc1OCc1ccccc1 609165495 XJZCSTOJURPUNW-LJQANCHMSA-N 439.515 5.243 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3coc(-c4ccc(Cl)cc4)n3)cc2)c1 609173440 ULCFGQDDBHHPOZ-UHFFFAOYSA-N 443.890 5.627 30 20 IKED C[C@@H](NC(=O)N(C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)c1ccc(C#N)cc1 609212415 IHMJYJVAGSECKE-GOSISDBHSA-N 433.531 5.203 30 20 IKED Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N(C)c2ccc(C#N)cc2F)c1 609217768 RMIJHVXLVQYOBE-UHFFFAOYSA-N 428.442 5.274 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CSCc1csc(COc2ccc(F)cc2)n1 609236845 FYNMOKBXRAVDEE-UHFFFAOYSA-N 447.944 5.258 30 20 IKED CC(C)(NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1cccc(Cl)c1 610016766 SKXJPEXMQBEPJB-UHFFFAOYSA-N 443.985 5.412 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F 610167088 SPKLMSXDWFDPSL-SJKOYZFVSA-N 427.879 6.159 30 20 IKED C=CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 610169096 ALZBBPUKWLNBMV-IAGOWNOFSA-N 441.459 5.319 30 20 IKED CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1c(Cl)cc(C#N)cc1Cl 611355366 AQBXXXVMFVFGFP-BMLIUANNSA-N 442.140 5.134 30 20 IKED C=CCN(Cc1ccccc1)C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 615712956 KVJBMAPFGLQUSG-UHFFFAOYSA-N 439.309 5.123 30 20 IKED Cc1cn(-c2ccc(F)cc2)nc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 670115874 BEUVORYXKSZSIC-HNNXBMFYSA-N 444.413 5.438 30 20 IKED O=C(Nc1ccc(Oc2cccc(F)c2)cc1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674558738 BONUMTAGDDRANS-IYBDPMFKSA-N 436.327 5.823 30 20 IKED O=C(Nc1ccc(C(F)(F)F)cc1Cl)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674568319 ZVPQBZVBLDMLEG-HTQZYQBOSA-N 428.682 5.563 30 20 IKED O=C(Nc1ccc2c(cnn2C(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 676599536 MHCGTQNBHXICRV-AOOOYVTPSA-N 430.299 5.026 30 20 IKED C=CCN(C(=O)C1CCC(OC)CC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 682078790 KAZTZVRNOYZGCM-UHFFFAOYSA-N 425.381 5.841 30 20 IKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc3c(c2)COC3)c1 726570746 JYZVOSQJQSXZJH-UHFFFAOYSA-O 448.955 5.161 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)c1 726572825 PJZPDOILNHWUJZ-UHFFFAOYSA-O 447.583 5.870 30 20 IKED Cc1ncc(CO)c(C=Nc2ccc(Oc3ccnc4cc(Cl)ccc34)c(F)c2)c1O 727973402 ZPZUECGIUSFISM-UHFFFAOYSA-N 437.858 5.472 30 20 IKED N#Cc1cccc(COc2ccc(NC(=S)Nc3ccccc3Cl)cc2Cl)c1 727979349 UWPQLTHXCHAVIM-UHFFFAOYSA-N 428.344 6.253 30 20 IKED COc1cc2c(cc1NC(=O)c1ccc(COc3ccc(C#N)cc3)o1)oc1ccccc12 727982420 GNMVRMKIWZBBLI-UHFFFAOYSA-N 438.439 5.891 30 20 IKED COc1ccccc1-c1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)no1 728006815 RYFSAIQOELTYOA-UHFFFAOYSA-N 425.444 5.053 30 20 IKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 728083471 WXSXSDNHIVAGMD-PGRDOPGGSA-N 447.604 5.673 30 20 IKED COc1cc(/C=C2/CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)ccc1OCC#N 728438203 BZAWCAMYFOZDHP-VBKFSLOCSA-N 436.920 5.587 30 20 IKED COc1cc(/C=C2/CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)cc(OC)c1OC 728439343 ZZAXULLGDZCEEL-GDNBJRDFSA-N 441.936 5.702 30 20 IKED COCCn1c(C)c(C)c2cc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)ccc21 728766745 ISVAYZLQPPSIFC-HSZRJFAPSA-N 439.515 5.019 30 20 IKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(CCCCC#N)C2=O)cc1 728776910 GPWGBNXOTNGOFS-JOCHJYFZSA-N 448.592 5.266 30 20 IKED C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(-c2ccco2)nn(CN(CCC#N)CC2CC2)c1=S 728904458 GJZFQFJSFKUCRP-FRYIKTPZSA-N 425.602 5.254 30 20 IKED Cc1cc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(C)n1[C@@H](C)c1ccccc1 729417869 UZQICWKQLBTQAJ-FQEVSTJZSA-N 427.548 5.270 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(Cl)sc1Cl 731066693 FLZVFMDQVJICCN-JTQLQIEISA-N 429.350 5.245 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 731288042 OBNKRRMFABBREG-SDHSZQHLSA-N 446.506 6.083 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2nc(C)c(-c3ccccc3)s2)ccc1OC 733336307 OUAAIXWRJFOWAD-SFHVURJKSA-N 436.537 5.130 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c23)c1 733770859 KWBADMZYUWKKBP-KRWDZBQOSA-N 444.491 5.217 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CC(C)(C)NC(=O)OC(C)(C)C 739509362 WSDNBEXSOZNWSD-UHFFFAOYSA-N 439.531 5.232 30 20 IKED Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1ccncc1F 741175402 KOLLSHZNOGHVJW-HXUWFJFHSA-N 436.468 5.055 30 20 IKED C#CCOc1ccc(F)cc1NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 741642328 AMBFKQDLLKAWEB-UHFFFAOYSA-N 436.508 5.113 30 20 IKED COc1ccc(/C=C2/C(=O)c3cccc(Br)c3[C@@H]2C)cc1OCCCC#N 742434341 FVNFVSQYIFHPHW-RFRKOGIWSA-N 426.310 5.524 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1C(F)(F)F 744031404 VZBGMSNUAYUDDW-ZWNOBZJWSA-N 429.225 5.463 30 20 IKED COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 746661345 YRUNIRKQBZWZMX-IZZNHLLZSA-N 425.532 5.892 30 20 IKED N#Cc1ccc(Oc2ccc(OC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)cc2)cc1 749068121 VTIUEAWRYQHLRU-HXUWFJFHSA-N 441.487 5.200 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(Oc2cccc(Cl)c2)cc1 750393173 YMMYHLLOBZOZQP-SFHVURJKSA-N 425.271 5.747 30 20 IKED N#C[C@@H](COC(=O)c1oc2ccccc2c1CSc1ncccn1)Cc1ccccc1 750782610 BVQZUOQFNBAFDN-SFHVURJKSA-N 429.501 5.054 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccc(F)cc2)c(C)s1 756234222 SSOQSAGVIMJJTQ-NRFANRHFSA-N 434.536 5.949 30 20 IKED Cc1cccc([C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2ccccn2)c1 766265520 WJEPNXWUQLZGAH-BDYUSTAISA-N 432.527 5.957 30 20 IKED C=CCNc1ncc(C(=O)O[C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)s1 770108611 YAUKPFVWCBSWRU-SECBINFHSA-N 425.297 5.016 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2cnn(-c3cccc(Cl)c3)c2C)ccc1OC 772980553 SPMXRGFALNNXOE-IERDGZPVSA-N 438.959 5.375 30 20 IKED Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1 778296374 YZPGFSSIBGGRNH-AWEZNQCLSA-N 431.851 5.011 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc(Cl)cc(C(F)(F)F)c1 778603898 GYJJHNRAEBBBNR-AWEZNQCLSA-N 448.800 5.635 30 20 IKED Cc1noc(C2CC2)c1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 783906351 JBUFEVBJAMGSGG-UHFFFAOYSA-N 432.427 5.051 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2cccc(SC(F)F)c2)cc1 784322780 NSSKFBIAOKOUCR-FQEVSTJZSA-N 437.471 5.234 30 20 IKED C[C@H](OC(=O)c1coc(C2CCCCC2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 786431289 LDLMHQNUVZJGGK-AWEZNQCLSA-N 441.553 5.108 30 20 IKED Cc1nc(-c2ccccc2)oc1C(=O)[C@@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 787049261 KXMJDPIXHQVPJG-SJKOYZFVSA-N 442.302 5.157 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2cnn(C(C)(C)C)c2C)cs1)c1ccc(F)cc1F 787186387 OFHZFSSEQNMPDV-VQHVLOKHSA-N 444.507 5.262 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)C[C@H](CC#N)c1ccccc1 793888445 OSTKRJUELABJHA-CVDCTZTESA-N 433.552 5.615 30 20 IKED N#CCn1c(C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)cc2ccccc21 797576563 WRWYFIYKVOUQSR-LJQANCHMSA-N 426.289 5.044 30 20 IKED N#Cc1cccc(COc2ccc(NCc3cnnn3Cc3ccccc3)cc2Cl)c1 814168817 XIAHCYMMZLFOOT-UHFFFAOYSA-N 429.911 5.043 30 20 IKED CC(C)N(C)c1ccc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F 916571491 GJRYGFGSTXZFNC-VXGBXAGGSA-N 443.407 5.701 30 20 IKED CCc1nc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2nc1CC 916928373 ZCAJPWKHDDNYHR-AWEZNQCLSA-N 441.318 5.023 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1C1CCCCC1 916928530 NFFKWVZCPYISAG-GOSISDBHSA-N 432.351 5.878 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc3c(c2)CCCC3)cs1 917560258 UGSLFWMROUKVTL-RAXLEYEMSA-N 436.964 6.256 30 20 IKED N#Cc1cccnc1Oc1ccccc1NCC(=O)Nc1ccccc1SC(F)F 917813188 UXNSCNBUVDVSSZ-UHFFFAOYSA-N 426.448 5.111 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)c1=S 919941533 ISBZEGCZOLCIMV-NRFANRHFSA-N 440.588 5.749 30 20 IKED N#C[C@H](C(=O)C1(c2ccc(F)cc2)CCCC1)c1nc(-c2c(F)cccc2F)cs1 920804774 YXKYDXFMKZLQEL-MRXNPFEDSA-N 426.463 5.916 30 20 IKED CC(C)c1csc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4)CCC3)cc2)n1 1787004337 VKGOQJDHIVHRCK-UHFFFAOYSA-N 444.560 5.200 30 20 IKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)CCC4CCCC4)cc3)CCC2)cc1 1787616951 QPLNKGCNXCILJI-UHFFFAOYSA-N 429.564 5.205 30 20 IKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCSCc1ccc(C)cc1)C2 1793053872 ZJMCGMWCCXPJMU-BKFWDETESA-N 440.653 5.025 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cccc(C)c2)[nH]n1 1819303734 ZYOLMCJKYBPCFK-JTHBVZDNSA-N 434.584 5.111 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2F)CC1 1823938508 GGYSCSJHJBIEPA-NZQKXSOJSA-N 446.994 5.481 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCCCC2(F)F)CC1 1829068315 PLOVFZZETNWGOG-SFTDATJTSA-N 438.603 5.424 30 20 IKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C3CCCCC3)CC2)cc1 1830632736 XQOSOFZZTPPMPN-LECAJKHHSA-N 447.623 5.122 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccccc2F)CC1 1832393340 NGMAXSVUCUGIHD-NOZRDPDXSA-N 440.603 5.146 30 20 IKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 1832719224 BAVZGNGQBSLOMY-LJQANCHMSA-N 442.909 5.168 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@@H](c2ccc(Cl)cc2)C(C)C)n(Cc2ccco2)c1C 10138626 UKDNCBMEZWDRHW-HSZRJFAPSA-N 438.959 5.197 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccccc1)=C(/S)Nc1ccc(SC(F)F)cc1 11113228 HCBKJNMRMYQROO-UHFFFAOYSA-O 443.564 5.902 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c(C)c1)=C(/S)Nc1cccc2ccccc12 11125852 FLTOBBKRAKQRDE-UHFFFAOYSA-O 439.604 6.357 30 20 IKED C=CCn1c(SCC(=O)Nc2cccc3ncccc23)nnc1-c1ccc(Cl)cc1 11809920 XUAKSSKDQMWMKR-UHFFFAOYSA-N 435.940 5.064 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(C)c(C)c2)[n+]2ccc3c(c2)CCCC3)c1 14872176 PDHILPLVCRWLCW-UHFFFAOYSA-O 443.636 6.083 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(CC)cc2)=C(/S)Nc2cccc(CC)c2)cc1 14872222 KSXAROYROKDESP-UHFFFAOYSA-O 431.625 6.102 30 20 IKED CSc1ccc(Cl)c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 20968784 REMWYSIFJBLOCS-UHFFFAOYSA-N 432.983 5.330 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc3ccccc23)nnc1-c1ccccc1OC 21141516 FCVONNHIBULOKM-KRWDZBQOSA-N 444.560 5.412 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2SC)nnc1-c1ccc(Cl)cc1 22092929 WDUAJPYHNWVNQI-AWEZNQCLSA-N 445.013 5.626 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)cc2)[n+]2ccc(C(C)(C)C)cc2)cc1 22730919 MKDUCBOPLGRAPI-UHFFFAOYSA-O 447.624 6.030 30 20 IKED C=CCn1c(SCc2ccoc2C(=O)OC)nc2scc(-c3cccs3)c2c1=O 24898137 XEUVVVLFUNRZBD-UHFFFAOYSA-N 444.559 5.044 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1cccc2ccccc12 32788169 UYQDYNOMWDVNPU-SFHVURJKSA-N 428.561 5.327 30 20 IKED C=CCc1cc(CNC(=O)c2ccccc2Sc2ccccc2C#N)cc(OC)c1OC 65064393 MPPBXZGPDRUXPI-UHFFFAOYSA-N 444.556 5.385 30 20 IKED COc1cc(C#N)ccc1OC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 71966481 UVNRZMXUCDYITH-UHFFFAOYSA-N 444.871 5.201 30 20 IKED C=CCn1c(SCc2ccc(OCc3ccccn3)cc2)nnc1-c1ccccc1OC 72033962 DVMCIRCWBLOJMB-UHFFFAOYSA-N 444.560 5.406 30 20 IKED CCOC(=O)/C=C\c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 96926073 IBLLKPFHCXXIBT-SSZFMOIBSA-N 428.513 5.538 30 20 IKED CC(C)c1ncc(Cl)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1 195721282 XZLVGBURKYAWOX-QGZVFWFLSA-N 425.319 5.815 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)c2)cc1 303209560 QUUGRTKNJKQWHW-HSZRJFAPSA-N 426.472 5.099 30 20 IKED N#C[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3Cl)nc3ccccc23)CCO1 303357137 RXMUUUPPQUAXGK-GFCCVEGCSA-N 446.721 5.227 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H](C(=O)c4ccc(F)cc4)C3)c2)cc1 303734768 GBNHGSDDCODYPN-NRFANRHFSA-N 428.463 5.225 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCSc2ccccc21 409512626 JUEJUSNYPURQIB-GOSISDBHSA-N 435.362 5.523 30 20 IKED CCc1cccc(Cc2cnc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)s2)c1 428193928 CWTPXDMSCOWOHW-UHFFFAOYSA-N 441.560 5.326 30 20 IKED C[C@H]1CN(C(=O)c2cccc(SCC#N)c2)c2ccccc2N(Cc2ccccc2)C1=O 430826612 IFRQYRZRTROTKN-IBGZPJMESA-N 441.556 5.132 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1cscc1Br 432712882 GKIOSFNADGIMDV-UHFFFAOYSA-N 428.311 5.059 30 20 IKED CCCOc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c(C)c1 437253596 AKSSSNHCOSAAQS-UHFFFAOYSA-N 429.476 5.025 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F 437401771 CCXFGKOCZQNVBI-MOPGFXCFSA-N 436.483 5.597 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)Nc2ccc(OC3CCCC3)cc2)cc1 437548516 SFHHZYBCEYBTJA-UHFFFAOYSA-N 441.487 5.249 30 20 IKED CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 438118398 XPUHXBOZACUGGH-NQIIRXRSSA-N 425.916 5.209 30 20 IKED O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1cnn(-c2ccccc2F)c1C(F)(F)F 438474902 WURXDIXTSYCMJW-RYUDHWBXSA-N 437.359 5.129 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(OCc3ccccc3)CC2)cc1F 438644899 CWUSTLIFACBGCH-UHFFFAOYSA-N 445.494 5.703 30 20 IKED CCCc1c(NC(=O)c2cnn(-c3ccccc3Cl)c2C)cnn1-c1cccc(C#N)c1 440078217 MYQPGYSVFNSXFD-UHFFFAOYSA-N 444.926 5.096 30 20 IKED CCCc1c(NC(=O)C2(CCOCc3ccccc3)CC2)cnn1-c1cccc(C#N)c1 440086726 IDAQCGPOWVDJKS-UHFFFAOYSA-N 428.536 5.022 30 20 IKED CCc1ccc(-c2ccc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)o2)cc1 442598038 NZBSQBJPYUBQCX-QGZVFWFLSA-N 443.528 5.588 30 20 IKED COCCOCc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1F 442675204 BBBSVPHTXIOLPH-SFHVURJKSA-N 444.915 5.256 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)c2nc3ccc(Cl)cc3s2)cc1C 443857454 JFKWNDYBVZXDJU-UHFFFAOYSA-N 449.967 5.620 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](Oc2ccccc2Cl)C1 443936069 DCAUUQAMLLSVNE-IAGOWNOFSA-N 429.973 5.810 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)c1ccc(Br)s1 444787159 WBGBDIVKBXPHHR-STQMWFEESA-N 438.416 5.052 30 20 IKED O=C(Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F)Nc1ccc(F)cc1C(F)(F)F 444839957 VLEHYSHIZVDGBC-UHFFFAOYSA-N 449.326 5.330 30 20 IKED N#CCc1ccc(OCc2cccc(N3C(=O)[C@@H]4C[C@H](C5CCCCC5)CN4C3=O)c2)cc1 445907291 LPHMEZKVQBBGQN-DHLKQENFSA-N 443.547 5.069 30 20 IKED CN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCOc2ccc(Br)cc21 446109781 UIPFQMJVTIMKCJ-GOSISDBHSA-N 428.330 5.238 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)CCOc2ccccc2[N+](=O)[O-])c1 460335418 OFJCSRKLMDFYFR-UHFFFAOYSA-N 435.867 5.122 30 20 IKED C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCC(n2c(C)nc3ccccc32)CC1 460766046 BLXFNFGLSPHFPB-UHFFFAOYSA-N 430.531 5.160 30 20 IKED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@H]1c1ccc(Br)s1 460783458 FBIBQBZKYWFSAE-GRDNDAEWSA-N 437.407 5.117 30 20 IKED N#Cc1ccc(-c2nnc(N3CCC[C@@H]3c3cccc(Cl)c3)n2C[C@@H]2CCCCO2)cc1 461857410 BRSPAPDKKYPXME-XZOQPEGZSA-N 447.970 5.381 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2C)cc1 464919763 UGUVOFWAUCDZTA-UHFFFAOYSA-N 439.515 5.456 30 20 IKED N#Cc1ccc(CSCC(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)cc1 466266868 CUQWRRQWWJAZKJ-IBGZPJMESA-N 433.346 5.057 30 20 IKED C[C@H](NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc(C#N)cc1 468402381 JTIRZRULEAOEIN-ZDUSSCGKSA-N 429.307 5.115 30 20 IKED CCN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@H]1CCN([C@H](C)c2ccccc2)C1 469204638 PFMHLGBFXVZZGQ-GGAORHGYSA-N 428.580 5.243 30 20 IKED Cn1nc(C(F)F)c2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)sc21 470903435 IJAFTIPJPMNKEH-UHFFFAOYSA-N 438.459 5.275 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 471209768 FMGFGJWBECNPST-UHFFFAOYSA-N 429.520 5.314 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CC(n2cc(-c3ccc(OCC)cc3)nn2)C1 475557434 BIWPGVVEXZIBJL-UHFFFAOYSA-N 445.567 5.285 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(CCN2C[C@H](C)O[C@H](C)C2)CC1 475580456 YMILZUSKRMNXMR-OYRHEFFESA-N 427.633 5.282 30 20 IKED COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)CCC3)cc1 475798994 JHWRMBZYJIKLGU-FQEVSTJZSA-N 431.561 5.427 30 20 IKED CC(C)n1ncc2c1C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)CC2 480118864 MVTMWMWRURWSOW-UNMCSNQZSA-N 447.970 5.452 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 480288898 IKAFBCOLUAWFCK-UHFFFAOYSA-N 431.989 5.494 30 20 IKED Cc1ccc(Sc2ccc(NC(=O)C(=O)N[C@H](C)c3ccc(C#N)cc3)cc2)c(C)c1 481131733 AYQMLKZSRLPYNN-GOSISDBHSA-N 429.545 5.142 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2Cl)nnc1-c1ccccc1C 481406095 YSHHFLIJHIHIDX-INIZCTEOSA-N 426.973 5.062 30 20 IKED O=C(NC[C@H]1CCCC[C@@H]1C(F)(F)F)c1cnn(-c2ccccc2F)c1C(F)(F)F 482226732 OYIYMRKSFINUFF-YPMHNXCESA-N 437.359 5.129 30 20 IKED N#C[C@H](C(=O)c1cccnc1OCc1ccccc1F)c1nc2ccccc2n1C(F)F 482574606 IZEALKPVZIATKQ-MRXNPFEDSA-N 436.393 5.035 30 20 IKED Cc1ccc(-n2cnc3c2CCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)C3)cc1 486912972 QZGIBDYXZIMXAO-SFHVURJKSA-N 431.565 5.023 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccc(Br)cc1Cl 487352705 HBAZUXGJKCYKSW-LBPRGKRZSA-N 438.778 5.547 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc2nccnc2c1Br 491194297 MFDMTHTVCRDYTP-UHFFFAOYSA-N 437.750 5.327 30 20 IKED N#CCc1ccc(NC(=O)CNc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)cc1 500404304 CXSUYAMWMJBDTC-UHFFFAOYSA-N 444.388 5.148 30 20 IKED O=C(N1CCCC[C@@H]1C(F)F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 500665230 MQNSKLJGMVMIIO-TZQXIBEESA-N 447.410 5.755 30 20 IKED C=CCN(C(=O)c1ccc(OCC2CCCCC2)cc1)c1nc(C(=O)OCC)cs1 501954091 HYRKNDMXQWEBGU-UHFFFAOYSA-N 428.554 5.112 30 20 IKED COc1ccc(COCc2cccc(NC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)c2)cc1 502438268 JAVMJOAAYWHMKO-SANMLTNESA-N 444.531 5.326 30 20 IKED COc1ccc([C@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C(F)(F)F)cc1 504522711 ZBNDRYULWANFMN-SFHVURJKSA-N 446.454 5.039 30 20 IKED Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)[C@H](C#N)c1nc2ccccc2o1 505450254 BIECVIVIKRPEOH-INIZCTEOSA-N 446.304 5.814 30 20 IKED COCCC[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C(C)C)c1ccc(Cl)cc1 508878366 HIXZHHRAUHNKQW-QFIPXVFZSA-N 427.976 5.342 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccco1)C[C@H]1CCCO1 510872428 NEZJLRBLZUKVES-HSZRJFAPSA-N 431.492 5.465 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC([C@@H](F)c2ccccc2F)CC1 511106337 HCFNORPZKJZGOT-BXKMTCNYSA-N 443.563 5.439 30 20 IKED C[C@@H](CC#N)NC(=O)c1cc(/C=C/c2cccs2)nc2ccc(Br)cc12 512013182 ZDSGAZLWCWCWBN-GFUIURDCSA-N 426.339 5.261 30 20 IKED C=CCc1ccc(OCC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c(OC)c1 512535023 BPINTOFEAYLPJE-UHFFFAOYSA-N 444.487 5.114 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@H](n3ncc4ccccc43)C2)cc1F 512836033 XKTQLOKQWXZUSA-HXUWFJFHSA-N 441.466 5.318 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 514501125 HSQXCANQLMNNPJ-UHFFFAOYSA-N 429.495 5.311 30 20 IKED Cc1ccc(SCCC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 514613262 XCNIRGUPYWVROO-UHFFFAOYSA-N 426.592 5.131 30 20 IKED CSc1ncc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)n1-c1ccc(F)cc1 515539082 DZOVFMKQBZHISL-CQSZACIVSA-N 442.928 5.486 30 20 IKED COc1cc(-c2noc(/C=C\c3cn(CCC#N)c4ccccc34)n2)ccc1OC(F)F 517609852 WUWNLXFBMVJVLA-NTMALXAHSA-N 436.418 5.385 30 20 IKED CN(CCCOc1cccc(Cl)c1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 517726398 UTZHAXPCOOYZTI-UHFFFAOYSA-N 440.956 5.192 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)cc12 517793442 PDMRLJQZUSFJIH-QGZVFWFLSA-N 446.919 5.739 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 518173903 NVXINJIWIUULKD-UHFFFAOYSA-N 444.491 5.166 30 20 IKED N#C[C@H](C(=O)c1csc(-c2cc(Br)cs2)n1)c1nc2ccccc2s1 518177106 ZGWGHRARPHLIRF-SNVBAGLBSA-N 446.376 5.734 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 518392097 BANJZWHMBIIFCQ-UHFFFAOYSA-N 435.524 5.249 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H](c3ccco3)N3CCCCC3)cc2)cc1 519053861 WWNXCUJLMKWDHE-QHCPKHFHSA-N 430.508 5.292 30 20 IKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1 519087841 WWMRXTAOQPNQAH-XMMPIXPASA-N 427.504 5.193 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCCC[C@H]3c3ccccc3)cc2)cc1 520005747 XOEJVZNJPZEEKM-LOSJGSFVSA-N 439.515 5.132 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 520198039 YKRFTXGQGUREFT-INIZCTEOSA-N 440.544 5.103 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c12 521800068 HKJRLDPTHUVZQK-OAHLLOKOSA-N 447.608 6.019 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1 523909398 SYDWMCUKWIONAO-UHFFFAOYSA-N 439.531 5.573 30 20 IKED CNC(=O)c1ccc(Cl)c(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 523956911 ITRNQJTZULYALN-UHFFFAOYSA-N 440.286 5.269 30 20 IKED CC[C@@H](C(=O)OC)N(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccccc1 524229250 PKNCWOCDANCHHY-QFIPXVFZSA-N 432.451 5.088 30 20 IKED Cc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c(OCC(F)(F)F)c1 524380028 JEGOEWPBZNSJQX-UHFFFAOYSA-N 430.382 5.232 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 530553301 DUGJRXRTZSLUMG-UHFFFAOYSA-N 431.580 5.627 30 20 IKED C=C[C@@H](CC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1)c1ccccc1 534707309 WOTLPFOMYMXQKL-NRFANRHFSA-N 428.532 5.061 30 20 IKED C=CCN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 535979666 ANCZRBCZJQBRHE-UHFFFAOYSA-N 445.510 6.035 30 20 IKED Cc1noc(C)c1COc1ccccc1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 539100857 GTVCEEUCCCQGOS-UHFFFAOYSA-N 437.499 5.339 30 20 IKED Cc1nc(CSc2ccc(C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)cc2)cs1 541069541 DHAXMBMVZXRTSS-UHFFFAOYSA-N 449.536 5.193 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)c3ccc(-c4nc5ccccc5s4)o3)n2)c(F)c1 541171936 PZRFYILPGODNAG-UHFFFAOYSA-N 429.436 5.005 30 20 IKED Cc1ccc([C@@H]2CCN(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)C2)cc1 542347519 CZFDZODVCDONAJ-LJQANCHMSA-N 435.578 5.032 30 20 IKED COC(=O)c1cccc(CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1C#N 548077206 BZWGFJRVASATGS-QGZVFWFLSA-N 430.348 5.147 30 20 IKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1c(F)cccc1Cl 548644242 LWUODVDAANVBFF-UHFFFAOYSA-N 445.718 5.614 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(OCC2CCCC2)CC1 576840646 LZVXHMFHODUFLK-UHFFFAOYSA-N 431.584 5.245 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 579416268 DWJVXPCIMSXICG-UHFFFAOYSA-N 444.472 5.213 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)c1 589740394 UDBQNNUEDWLIOL-HXUWFJFHSA-N 431.330 5.009 30 20 IKED N#Cc1c(SCC(=O)N[C@H](c2ccccc2)C2CC2)nc2c(c1-c1ccco1)CCC2 591681384 NTHKQGQHFCFRTE-XMMPIXPASA-N 429.545 5.062 30 20 IKED Cc1nc(COc2cccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c2)cs1 603624277 YNYBHDLAKUUDGF-UHFFFAOYSA-N 442.500 5.342 30 20 IKED C[C@H](NC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)c1ccc(C#N)cc1 603782279 WKJUJGNWHNOFBQ-HNNXBMFYSA-N 448.320 5.064 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2CN2CCc3ccccc32)o1 603976090 ZNNLDBSYNXWQKW-UHFFFAOYSA-N 449.510 5.545 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 604275968 DHYZDQOOJDWSPM-YESZJQIVSA-N 449.439 5.001 30 20 IKED O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 605016575 IOIYUUXLRDCKNP-PWSUYJOCSA-N 434.302 5.088 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc2c(cc1SC)OCCO2 606775816 DRVKKDRKJIUZBF-UHFFFAOYSA-N 425.428 5.016 30 20 IKED COc1ccccc1-c1nn(C)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 607274698 NXQBRCJYBPFOKD-KRWDZBQOSA-N 448.935 5.363 30 20 IKED C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C1 608638007 FHCZIPWYPALXLN-HPTBWKMGSA-N 440.403 5.828 30 20 IKED CCc1c(C)sc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)c1C#N 609032577 PSKYIPDJLYVVPF-QGZVFWFLSA-N 436.364 5.041 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cnc4ccccc4c3C(F)(F)F)cc2)c1 609065134 YYZNOTVARBPJCP-UHFFFAOYSA-N 447.416 5.957 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)CCc3ncc(-c4ccccc4Cl)o3)c2)cc1 609176681 RXIFQQBBIKKZJB-UHFFFAOYSA-N 443.890 6.230 30 20 IKED Cc1ccc(-n2nc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c3c2CCC3)c(C)c1 609377477 VZIQZJILQAOSBV-QGZVFWFLSA-N 430.577 5.482 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 609377714 CXWVLZPACSRLMH-IAGOWNOFSA-N 438.553 5.335 30 20 IKED Cn1cc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c(-c2ccccc2Cl)n1 609410129 GKBQTAKHMOOZFC-UHFFFAOYSA-N 442.906 5.443 30 20 IKED CN(C)CCCOc1cccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 609507978 OOSDKQGRAXVOFM-UHFFFAOYSA-N 429.520 5.128 30 20 IKED COc1cccc(NC2CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)CC2)c1 609921737 VHCOTYPNKGNMRD-UHFFFAOYSA-N 441.531 5.270 30 20 IKED C=CCn1c(SCc2ccnc(C#N)c2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 610955628 IRFQORIOVNESPJ-UHFFFAOYSA-N 448.548 5.318 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)c1C#N 611085192 GULDCUPDXQKJPZ-HNNXBMFYSA-N 441.984 5.137 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 611495291 VPESARZVRXLNAU-HUUCEWRRSA-N 428.332 5.163 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2ccccc12 613405070 UQBOIEYOWPUHRK-MRXNPFEDSA-N 426.419 5.967 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2cc(Br)cs2)n1)c1ccc2ccccc2n1 617896429 ZIBIBBDWSSZZMP-CYBMUJFWSA-N 440.347 5.672 30 20 IKED N#CCCCn1cc(C(=O)NCc2cc3cccnc3cc2Br)c2ccccc21 618221368 JNKBAAUMODJPQG-UHFFFAOYSA-N 447.336 5.186 30 20 IKED CCN(CC)Cc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 642282234 XCBRMUPNIZUCCB-KRWDZBQOSA-N 431.483 5.647 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC[C@@](F)(c2ccccc2)C1 670108253 XBVYIZMFWGUNPS-CPUCHLNUSA-N 426.376 5.176 30 20 IKED N#CCOc1cccc(NC(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)c1 727708725 FGLJWQIVIZBUFJ-UHFFFAOYSA-N 430.851 5.212 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc(F)c(Cl)nc2Cl)cc1 727755018 LYQQNBSMGNRPLJ-UHFFFAOYSA-N 432.257 5.381 30 20 IKED COc1cc(/C=C2/CCOc3ccccc3C2=O)cc(Br)c1OC(F)F 728441441 JXBJPRCXNCYPMU-WQLSENKSSA-N 425.225 5.108 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1 731646183 ZEPNHPVFNKNZSY-SFHVURJKSA-N 434.323 5.264 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2n[nH]c3ccc(Br)cc23)cc1 732058216 PHLPWKWZSBMEFT-IBGZPJMESA-N 431.293 5.233 30 20 IKED Cc1cc(-c2cc(C(=O)OCc3ccc(OCC#N)cc3)c3c(C)noc3n2)c(C)s1 733431787 UBCLHXJDBXZLGH-UHFFFAOYSA-N 433.489 5.136 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)ccc1OC 733648952 NLPPXVGXEMFYMS-NZQKXSOJSA-N 441.959 5.370 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)c1 733804272 BBIOFZSLMFJREN-ZWKOTPCHSA-N 429.923 5.077 30 20 IKED C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 734084159 XLDHYZMQFZLJJF-AVRDEDQJSA-N 439.540 5.440 30 20 IKED CCN(CC)c1ccc(C=Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)c(O)c1 737441173 XXIMUJZLGUFYIK-UHFFFAOYSA-N 438.549 5.185 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)cc1 742538244 VWLRWMIAJFZJQY-NRFANRHFSA-N 444.441 5.586 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1cnc2ccccc2c1C(F)(F)F 744573675 LYBMRKSCXISCBP-CQSZACIVSA-N 448.466 5.075 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3sc4cccc(Cl)c4c3Cl)o2)cc1 744668960 OVNYNQLFWAEWLD-UHFFFAOYSA-N 430.272 5.487 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3ccc(Oc4ccc(Cl)cc4)c(F)c3)o2)cc1 746084519 NGIHYRRWJYMVHV-UHFFFAOYSA-N 449.825 5.550 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc(Br)cc(OC(C)C)c1 747105664 UUOFHRFYCKYKSA-SFHVURJKSA-N 439.309 5.231 30 20 IKED CCOc1c(OC)cc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC 747533522 KYEGQESIQPKAQI-QFIPXVFZSA-N 445.519 5.080 30 20 IKED Cc1ccc([C@@H](Cn2ccnc2)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(C)c1 750294287 JOYMGRTZRUHVCW-RRPNLBNLSA-N 449.558 5.718 30 20 IKED Cc1c(Cl)cccc1NC(=O)CCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 750692720 ZDJOHHBFTFMDFS-NRFANRHFSA-N 446.938 5.454 30 20 IKED N#C[C@H](C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)c1nc2ccccc2n1C(F)F 751829833 HPQOWYOZFVNQTK-GEHIJMBASA-N 437.412 5.757 30 20 IKED N#C[C@@H](C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)c1nc2cc(Cl)ccc2s1 751831572 WNGWHBLZCNCVDJ-SRQXKTMQSA-N 438.902 6.275 30 20 IKED CC[C@H](NC(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1)[C@H](O)c1c(F)cccc1F 752680422 YRLUTPDADBXZEY-HOCLYGCPSA-N 438.343 5.253 30 20 IKED COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)Nc2ccc(F)cc2OCC#N)c1 752739212 PBPSPFLHRGUSLS-RCZVLFRGSA-N 445.494 5.499 30 20 IKED Cc1cc(CNC(=O)OC(C)(C)C)ccc1N(C(=O)c1ccc(Cl)c(C#N)c1)C1CC1 754302308 MUNODDCMGKZLOS-UHFFFAOYSA-N 439.943 5.354 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCNc2ccc(-c3ccccc3)nn2)cc1 754433959 FNNSSCPDHYSGIN-DEOSSOPVSA-N 448.530 5.033 30 20 IKED C#CC[C@@H](NC(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1)c1ccccc1 757597062 JTKXPGSCRRHYHC-HXUWFJFHSA-N 437.337 5.226 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](c1cccnc1)c1cccc(C(F)(F)F)c1 759592119 CKRZJTHKLJGDHF-YCRPNKLZSA-N 426.394 5.072 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN2CCC[C@@H]2c2ccccc2C(F)(F)F)c1=S 764970008 DKRBQDSTSASUTC-LJQANCHMSA-N 445.514 5.475 30 20 IKED CC(C)(C)OC(=O)NCc1noc(-c2ccc(Oc3ccccc3C#N)c(Cl)c2)n1 766914891 DJYLQMBCHGJOKL-UHFFFAOYSA-N 426.860 5.079 30 20 IKED Cc1cccc([C@H]2NC(=O)N(c3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2=O)c1C 771821440 ZKNYZKBBIIPRRP-FYYLOGMGSA-N 429.907 5.410 30 20 IKED Fc1ccc(C=Nn2c(S)nnc2-c2ccccc2Br)c(C(F)(F)F)c1 771884844 NTAGJTFACYFTKE-UHFFFAOYSA-N 445.239 5.036 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1cc(C)c(C)c(C)c1C)[n+]1c(C)ccc(O)c1Cl 777510919 QGHXXODBVNQKMG-UHFFFAOYSA-O 432.009 5.252 30 20 IKED N#C[C@H](C(=O)CCc1nc2ccccc2n1-c1ccccc1)c1nc(-c2ccncc2)cs1 778302772 KACONBSJQPOTSH-HXUWFJFHSA-N 449.539 5.353 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(OC(C)C)cc2Cl)ccc1OC 782103634 NSKVEKLLMSKPRW-INIZCTEOSA-N 431.920 5.138 30 20 IKED CCCOc1ccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(C)c1 783465936 BAPVBOUWFROQOD-HSZRJFAPSA-N 427.504 5.017 30 20 IKED Cc1noc(C2CC2)c1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 784047066 JAZYMFZAOCAXKA-UHFFFAOYSA-N 427.382 5.796 30 20 IKED C=C[C@@](C)(CC)C(=O)OCc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1 785759111 HDSJGPQBEWLJQE-IBGZPJMESA-N 426.460 5.492 30 20 IKED C=C(C)Cn1c(SCc2ccc(Cl)nc2C(F)(F)F)nnc1-c1ccncc1 786729264 QHBVTBGUXVXFQB-UHFFFAOYSA-N 425.867 5.276 30 20 IKED CC[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Cl)c(Cl)c1O 786958676 MBJYZVLINJARGU-GOSISDBHSA-N 432.351 5.845 30 20 IKED COc1ccc([C@H](C)CC(=O)[C@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 787050784 MDGVWWHLOMTUOC-TYILLQQXSA-N 433.335 5.082 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)[C@@H](C#N)c1nccc2ccccc12 792100778 MELBEHRSWDQEEN-SFHVURJKSA-N 435.314 5.585 30 20 IKED N#CCCCOc1cccc(/C=C2/SC(=S)N(CCCCC(F)(F)F)C2=O)c1 794863879 ZKGGZRXXOBKEBO-DTQAZKPQSA-N 428.501 5.303 30 20 IKED Cc1nn(-c2ccccn2)c(Cl)c1C=NNc1ccc(Br)cc1Cl 794924536 WWTILECSSXRJQC-UHFFFAOYSA-N 425.117 5.091 30 20 IKED Cc1c(-c2ccccc2)oc2c(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)cccc2c1=O 797568601 KBKPQQKBSKLJKS-LJQANCHMSA-N 442.540 6.013 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cc(F)c(Br)cc2Cl)c1 799233139 CBFSLUOFTBEOQH-GFCCVEGCSA-N 440.700 5.244 30 20 IKED Cc1ccc(-c2cc(C(=O)OCCCC3(C#N)CCOCC3)c3cnn(C(C)C)c3n2)cc1 800105275 MVHDPCRZLSUVCQ-UHFFFAOYSA-N 446.551 5.245 30 20 IKED C=CCC[C@H](C(=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1)c1ccccc1 801247724 LXJIMCXREGZMIE-NRFANRHFSA-N 433.470 5.145 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(CC(C)C)[C@H](C)c2ccccc2C)ccc1OC 806807185 VTAOLAQWAJLAIU-IRLDBZIGSA-N 437.584 5.613 30 20 IKED O=C(N1CCC(C(F)(F)F)(C(F)(F)F)C1)C(F)(F)c1cc(Cl)ccc1Cl 857452715 LRWNCEYXQUVLAD-UHFFFAOYSA-N 430.122 5.429 30 20 IKED C=CCOc1ccccc1CN(C(=O)C1CCN(C(=O)C(C)C)CC1)c1ccc(C)c(C)c1 888956444 SEBOJODKYAUWDL-UHFFFAOYSA-N 448.607 5.296 30 20 IKED Cc1cc([C@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccccc2C)c(C)s1 914691528 PQJGYCCAHMBRDR-YWZLYKJASA-N 441.622 5.035 30 20 IKED N#C[C@@H](C(=O)c1ccc(C2SCCCS2)cc1)c1nc2ccccc2n1C(F)F 915106862 GZKGFPWKBQYDJO-HNNXBMFYSA-N 429.517 5.790 30 20 IKED CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915352470 LEDGRTPTWUBEPF-CLJLJLNGSA-N 425.532 6.110 30 20 IKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CC2)cc1 916206832 STQANSVNQKCVCK-FQEVSTJZSA-N 425.529 5.072 30 20 IKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(CCC(C)C)C1=O 916212207 LDFAFFAXVKOYAC-OAQYLSRUSA-N 439.581 5.010 30 20 IKED COc1ccc(N(C(C)=O)c2nc(C=NNc3ccccc3C(F)(F)F)cs2)cc1 916259439 GXCVGYBKNVZBFA-UHFFFAOYSA-N 434.443 5.301 30 20 IKED N#C[C@H](C(=O)CCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(SC(F)F)cc1 916887976 RCXLAOWWLUAKFJ-OAHLLOKOSA-N 443.302 5.588 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 916896480 ILJRRJLUSWNJBK-JOCHJYFZSA-N 434.948 5.902 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(SCc2ccccc2)cc1 916904710 IBQQGSWTYBDPPQ-DEOSSOPVSA-N 442.584 6.065 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1/C=C\C(=O)c1ccc(OCc2nccn2C)cc1 917518283 YUGXMUSZPQNNHQ-SEYXRHQNSA-N 446.938 5.102 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2ccnc3cc(Cl)ccc23)cs1 917531527 XSVWZXQKXWEIIP-UHFFFAOYSA-N 435.940 5.784 30 20 IKED C[C@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 918414360 BIZZPBVKWOIGQC-HXOBKFHXSA-N 431.923 5.154 30 20 IKED Fc1ccccc1-c1nn(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(=S)o1 918735566 OYDFQMWKEWNECL-NXEZZACHSA-N 429.361 5.032 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OCC5CC5)cc4F)CCC3)cc2)C1 1785808026 GXKKDTMNMFHHRV-UHFFFAOYSA-N 448.538 5.328 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cnc(-c4ccccc4)s3)cc2)CCC1 1789880481 FMJSAEUEAOKTDL-UHFFFAOYSA-N 444.560 5.108 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)C[C@@H](C)Oc3ccccc3)cc2)CCC1 1791146431 GXGVSLUBQBEOBD-GOSISDBHSA-N 442.506 5.190 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2occ(Cl)c2c1 1799324597 YUFRKCXMEBXWRL-BCDXTJNWSA-N 428.960 5.330 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C)cc(C)cc2C)[C@H]1c1cccnc1 1810177876 IGEJIGJWWWXNKC-GSLIJJQTSA-N 445.607 5.095 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)C2(C)CCCCC2)[C@@H]1c1cccnc1 1812998955 QYYDMQGXTPBCKJ-YADHBBJMSA-N 425.617 5.050 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](C)c3ccc(Cl)cc3)CC2)C1 1823698122 JFGRDUCVTSDLPP-FDDCHVKYSA-N 429.004 5.029 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2cccc3ccccc23)CC1 1824955871 CPJIDDULLFYPON-BWKNWUBXSA-N 448.607 5.051 30 20 IKED Cc1ccccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832633729 NAFMIWLGDKKPIW-LVXARBLLSA-N 443.591 5.169 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@]2(F)CCCC=C2F)CC1 1832978236 JPWYDFWUWCSNGU-CPJSRVTESA-N 436.587 5.344 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 15247976 KYTWEZCQMALPEJ-UHFFFAOYSA-O 444.407 6.284 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(CC)c2)[n+]2ccccc2CC)cc1 22732369 XJMDMRRBWKSBSB-UHFFFAOYSA-O 433.597 5.549 30 20 IKED C=CCN(Cc1ccccc1)C(=O)Cc1csc(-c2cccc(Br)c2)n1 30526093 PIVZQVNQPSJIQR-UHFFFAOYSA-N 427.367 5.330 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccc(Cl)cc1C 32785815 GTCVHXVHBXDPOC-MRXNPFEDSA-N 426.973 5.136 30 20 IKED C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)n2)C1 33230503 JCSYVEWTBHGDTG-GOSISDBHSA-N 446.576 5.078 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cc1OC 58760937 PZBRIQRGSMLBLB-QGZVFWFLSA-N 432.545 5.608 30 20 IKED COc1ccc([C@@H](Cc2ccccc2C)NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1OC 62657393 BMSMJKFVPFCXIO-NTKDMRAZSA-N 443.547 5.228 30 20 IKED C[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1ccccc1OC(F)F 108417108 ZZCOMTNQDREYTD-MRXNPFEDSA-N 437.446 5.178 30 20 IKED Cc1ccc(C(=O)Nc2cccc(CNCc3cn(CCC#N)nc3-c3ccccc3)c2)cc1 237850571 IBFXAHFVXFEQEF-UHFFFAOYSA-N 449.558 5.314 30 20 IKED Cc1c(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cccc1OCC(F)(F)F 303622787 NIOXZMBIUOQAAM-UHFFFAOYSA-N 440.421 5.639 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C[C@H]1CCCO1)C1CCCC1 429059486 JRCLVFBDUFLBRU-XMMPIXPASA-N 433.552 5.401 30 20 IKED Cc1ccc(CN2CCCC2)cc1NC(=O)c1ccccc1Sc1ccccc1C#N 431111449 LIAZVRXULSUSSJ-UHFFFAOYSA-N 427.573 5.866 30 20 IKED CC1(C)CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)[C@H]1c1ccncc1 432678058 FTEVATIMYLEVAE-GGAORHGYSA-N 430.939 6.005 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cc(Br)ccn1 432750358 CNVCJVUNKAXBPB-UHFFFAOYSA-N 437.297 5.138 30 20 IKED N#CCCCOc1cccc(NC(=O)CCSc2ccnc3cc(Cl)ccc23)c1 433874486 KTYHHALOQMCHJQ-UHFFFAOYSA-N 425.941 5.692 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H](c2cccnc2)C(C)C)cc1 435137584 MMNJTNHGZSRMMH-JOCHJYFZSA-N 430.508 5.315 30 20 IKED CN(c1ccc(C(F)(F)F)cc1Cl)S(=O)(=O)c1ccc(F)cc1C(F)(F)F 435905032 BRBFZQRRQFQJHW-UHFFFAOYSA-N 435.748 5.342 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)N[C@@H](CCC#N)c1ccccc1 439399883 ZCGKYERYZQDXBT-QFIPXVFZSA-N 441.510 5.854 30 20 IKED CCCc1c(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)cnn1-c1cccc(C#N)c1 440069362 JMMJRKUZDHUZNT-UHFFFAOYSA-N 436.519 5.012 30 20 IKED Cc1ccc(OCc2ccccc2)c(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c1 442494905 NGKCVBLVDNUAIB-VWLOTQADSA-N 427.504 5.051 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)c1nc2ccccc2n1C(F)F 442672806 RKTYXZCCNBBUNI-HNNXBMFYSA-N 441.359 6.006 30 20 IKED N#Cc1ccsc1NC(=O)CCN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444741484 HLCANDRPDDKLPQ-AWEZNQCLSA-N 435.393 5.250 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)Nc3cccc(C#N)c3C)C2)n1 446175150 NLEWAJVAHKEZCM-GOSISDBHSA-N 432.549 5.410 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccccc1C(F)(F)F 446242800 BDUMIHXEEMEKHE-CQSZACIVSA-N 429.282 6.148 30 20 IKED C=CCN(C(=O)Cc1cccc(C(F)F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 448101428 OEWUZSWSRSHZIQ-UHFFFAOYSA-N 429.448 5.418 30 20 IKED COc1ccc(C[C@H](Nc2nc(C(F)(F)F)ccc2C#N)c2ccc(OC)cc2)cc1 462917310 QURYYCHKXLIHDV-FQEVSTJZSA-N 427.426 5.385 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])cc2)ccn1 464680633 XWCCPYJEEQMMDH-UHFFFAOYSA-N 440.868 5.038 30 20 IKED Cc1ccccc1O[C@H](C)CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 466165023 LLCBOANXGBEFIZ-HXUWFJFHSA-N 429.520 5.229 30 20 IKED COc1ccc([C@H](NC(=O)N(C)Cc2cccc(C#N)c2)c2ccccc2Cl)c(C)c1 466378158 KKQCYACNGKFXHC-DEOSSOPVSA-N 433.939 5.460 30 20 IKED N#CCC[C@H](NC(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1)c1ccccc1 467222322 JDFSPBVRJWXZIF-PMACEKPBSA-N 430.321 5.480 30 20 IKED N#Cc1cccc(-c2cc(C(=O)N3CCC[C@H]3c3cc(F)cc(Br)c3)on2)c1 469343311 REGGKSIBSWCHHY-IBGZPJMESA-N 440.272 5.092 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](OCc2ccccc2F)C1 471280217 QZJHAUDSZQCESZ-MJGOQNOKSA-N 427.545 5.433 30 20 IKED COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cc1 474432362 KDGQGXFGYORUIU-GOSISDBHSA-N 437.496 5.157 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 476095224 KKXFVRIZYRCCQA-UHFFFAOYSA-N 431.319 5.080 30 20 IKED C[C@H](SCCCOc1cccc(C#N)c1)c1nc(O)c2c(-c3ccco3)csc2n1 477352780 RJLAMKVIXPVZMF-AWEZNQCLSA-N 437.546 5.792 30 20 IKED COc1cc(C[S@@](=O)[C@H](C)c2cccc(Cl)c2)ccc1OCc1cccc(C#N)c1 479974741 JGCQXBRXOQMQRT-BJLXPSRBSA-N 439.964 5.809 30 20 IKED Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)o1 480288803 IHBPJKQCNBMKME-SBUREZEXSA-N 442.519 5.717 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ncc(-c2cccc(F)c2)o1 481372824 LCLXWFBESPUZRG-UHFFFAOYSA-N 436.512 5.438 30 20 IKED CCc1c(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cnn1-c1ccc(Cl)cc1 485312592 QYMNVHCISXHNHP-UHFFFAOYSA-N 449.942 5.035 30 20 IKED C=CCSc1ccccc1C(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 485469474 VPFCRADFTMVKFQ-UHFFFAOYSA-N 434.527 5.378 30 20 IKED Cc1ccc(C(=O)N[C@@H](CC(=O)N[C@@H](CCCC#N)c2ccccc2)c2ccccc2)cc1 487214957 AFXGGGDPXNMTTK-UIOOFZCWSA-N 439.559 5.408 30 20 IKED C[C@H](N[C@H](C)c1nc(C(F)(F)F)cs1)C(=O)Nc1sc2c(c1C#N)CCCCC2 490038565 UDOYEFQDHHQYBC-WDEREUQCSA-N 442.532 5.042 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 495510768 BRNVAPMLVXHUGY-HNNXBMFYSA-N 443.956 5.262 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)CCCc1ccc(Br)s1 500995538 IIQVMMKQDWTESS-UHFFFAOYSA-N 429.339 5.531 30 20 IKED COc1ccc(Oc2ccc(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cn2)cc1 503473040 MTIMZDQMBHZZNS-UHFFFAOYSA-N 426.476 5.075 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OCc4cccnc4)c3)n2)cc1 503503435 ITYIYQRHJNOXHV-JOCHJYFZSA-N 425.513 5.583 30 20 IKED Cc1cc(NC(=O)[C@@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)nn1CCC#N 504298618 IAJHDVGQQFJEJJ-FQEVSTJZSA-N 429.307 5.171 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 505006377 SRBJXSSNZDSNAR-FQEVSTJZSA-N 447.604 6.349 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCC(c2noc(-c3ccccc3OC)n2)CC1 505045739 LECJJZVQESUYKO-UHFFFAOYSA-N 432.524 5.275 30 20 IKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)[C@H](C#N)c3nc4ccccc4s3)c12 505310207 DVMLCHXNBSAYEA-AWEZNQCLSA-N 428.473 5.706 30 20 IKED CC(C)(C)n1nc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1C1CC1 505356329 UUCQMJSAELIKLE-QHCPKHFHSA-N 428.536 5.089 30 20 IKED N#CCCn1cc(CNc2cnn(-c3ccc(C(F)(F)F)cc3)c2)c(-c2ccccc2)n1 507835551 YMQUVLVJIMSWHF-UHFFFAOYSA-N 436.441 5.280 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3ccc(Br)s3)cc2)c1 510847380 QOOGKJXBFAAMMQ-UHFFFAOYSA-N 427.323 5.142 30 20 IKED C=C(C)CN(CC)C(=O)[C@@H](C)SCc1csc(COc2ccc(Cl)cc2)n1 511008629 KIQAWOBJOHXQJR-OAHLLOKOSA-N 425.019 5.422 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(N4CCCCCC4)nc3)n2)cc1 512488070 CVZDCNHUXASYMN-HXUWFJFHSA-N 432.549 5.084 30 20 IKED C[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1cccc(OCc2ccccn2)c1 512675476 MCFDPNDSVYCCHB-FQEVSTJZSA-N 433.511 5.690 30 20 IKED C[C@@H](N[C@H](C)c1nnc(-c2ccccc2F)s1)c1ccc(-c2cccc(C#N)c2)cc1 514232600 NQNHQALYQVUILP-IAGOWNOFSA-N 428.536 6.295 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2ccc(COc3cccc(Br)c3)o2)cc1 514450672 LFRMUDMSQLYUGI-UHFFFAOYSA-N 439.309 5.675 30 20 IKED CCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cnn1-c1ccccc1 517800675 ARNZKQRDOZSAJX-LJQANCHMSA-N 428.517 5.057 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1OCC(C)C 518870491 ALLRXZNJZWFREP-HNNXBMFYSA-N 442.487 5.622 30 20 IKED CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)C(C)C)cc1 519442653 TWTGQWMXZDCYJV-JPYJTQIMSA-N 437.609 5.514 30 20 IKED CC(C)[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc2c(c1)OCCO2 520195628 FXVIHMKTPJTUHJ-OPAMFIHVSA-N 425.554 5.371 30 20 IKED CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 520315176 IZCQVOKGBBADCG-UHFFFAOYSA-N 445.494 5.173 30 20 IKED CC(C)CN(C(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C)c1ccc(C#N)cc1 522335452 MNLBUAKCNJMJOS-UHFFFAOYSA-N 428.458 5.810 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCn4cccc4[C@H]3c3ccccc3)c2)cc1 522390621 DVYVIRSKOFUYGS-HHHXNRCGSA-N 433.511 5.184 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cnc2c(cnn2C(C)C)c1 522869757 QAUWTQYHCWHFTM-UHFFFAOYSA-N 446.324 5.134 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 523594561 UOQINBVCUWTBJV-VEEZFSHISA-N 434.609 5.255 30 20 IKED CSc1ccc(O[C@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 524821708 DWTIARZKBSAGAM-GOSISDBHSA-N 432.545 5.460 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c2)cc1 524932465 ZQYBYKIRTLNYBC-IBGZPJMESA-N 427.414 5.537 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](COCc1ccccc1)c1ccccc1 525443917 LTXUVZWGMKYNIR-AREMUKBSSA-N 427.548 5.436 30 20 IKED N#CCc1ccnc(NC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)c1 531671230 UCIOMGDHLHIRCM-UHFFFAOYSA-N 447.501 5.069 30 20 IKED C=C[C@H](CC(=O)N[C@H](C)c1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1 535431990 DQTAOTPNMVJPNV-QZTJIDSGSA-N 440.590 5.086 30 20 IKED CC(C)[C@@H]1C[C@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCO1 536818228 UXZJIOOXJIETDA-KNQAVFIVSA-N 427.932 5.116 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2nc(-c3ccc(Cl)c(Cl)c3)oc2C)cc1 541959506 DJJHLFVMEUWTFG-UHFFFAOYSA-N 444.318 5.916 30 20 IKED C[C@H](NC(=O)N[C@@H](C)c1ccc([S@](C)=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 542077121 CUGPQUVBJFRLGN-UWGAKSRVSA-N 431.561 5.084 30 20 IKED COc1ccccc1NC(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1 542356077 IBAHAJPPMNXSCA-UHFFFAOYSA-N 440.503 5.016 30 20 IKED CC1CCN(c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cn2)CC1 546155836 ZRWOREIIGSDLRM-IBGZPJMESA-N 436.968 5.585 30 20 IKED CC(C)S(=O)(=O)c1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 547447258 MXUNSQZXEPVXHW-GOSISDBHSA-N 444.965 5.136 30 20 IKED N#CCC[C@@H](C#N)CNC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 548950086 JZONZQUWDLCSTH-YWZLYKJASA-N 433.408 5.187 30 20 IKED N#Cc1ccc(CNC2(Cc3ccc(F)cc3Cl)CCOCC2)c(C(F)(F)F)c1 552392132 JAJDPIVXOYSGSI-UHFFFAOYSA-N 426.841 5.251 30 20 IKED N#Cc1ccc(OC2CCC(NC(=O)c3ccc(-c4cccc5cccnc45)cc3)CC2)nc1 556946805 ABSCQFIQOLINRZ-UHFFFAOYSA-N 448.526 5.288 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3CCCCC[C@H]3/C=C/c3cccs3)CC2)c(F)c1 556962777 YSTMZRACUPXZMZ-SHBDEGQCSA-N 437.584 5.460 30 20 IKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC(C#N)(c2ccccn2)CC1 558587973 FSEDSJPULVRWQY-UHFFFAOYSA-N 441.318 5.049 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)Cc3c[nH]c4cccc(Br)c34)cc2)ccn1 566041221 WKBGDAQEOWQMHH-UHFFFAOYSA-N 447.292 5.171 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(F)ccc1SCC(F)F 573351564 RYGUGSLTSPBWIR-UHFFFAOYSA-N 426.508 5.571 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)CC2)cc1 576673839 QXHSEQLNZFXQRB-UHFFFAOYSA-N 440.503 5.181 30 20 IKED C=CCn1c(CCc2ccco2)nnc1N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 578229829 OHMKXBCBBVHZQD-HXUWFJFHSA-N 444.583 5.157 30 20 IKED CC1(C(=O)N2CCS[C@H](c3ccccc3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 587528709 FPOOLRWTDVGPIU-QFIPXVFZSA-N 440.012 5.135 30 20 IKED Cc1cc(Oc2ccccc2)ccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 588245327 JPABBXKXCHTIJM-UHFFFAOYSA-N 445.494 5.873 30 20 IKED Cc1ccccc1-n1ncc(C(=O)Nc2cc(C(F)(F)F)ccc2F)c1C(F)(F)F 590234644 UZASAELPVNNAAZ-UHFFFAOYSA-N 431.311 5.610 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1nc2ccccc2n1C(F)F 592975720 MCEDPRYDUJDZAI-LBPRGKRZSA-N 446.244 5.414 30 20 IKED C[C@H](c1ccccc1)n1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccccc1 603917430 QYZBZRKPTFYHQM-MRXNPFEDSA-N 445.573 5.218 30 20 IKED Cc1occc1C(=O)Nc1nc(CC(=O)Nc2sc(-c3ccccc3)cc2C#N)cs1 603968946 OMBYGYHTKFUQCS-UHFFFAOYSA-N 448.529 5.078 30 20 IKED Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603971538 WLBOQVOOQUBKOJ-GOSISDBHSA-N 441.896 5.013 30 20 IKED COc1ccc2oc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)c(C)c2c1 603995867 QHJRWFSWLSYVLD-UHFFFAOYSA-N 425.444 5.126 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c1 604135020 MQZDNDYOEREFDO-JOCHJYFZSA-N 435.508 5.751 30 20 IKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604159221 GDYYPIKSYHSZAF-NRFANRHFSA-N 449.963 5.210 30 20 IKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1 604464630 FKNDANWPOJRGIH-QHCPKHFHSA-N 427.504 5.193 30 20 IKED Cc1c(C#N)c(NC(=O)CN(C)C[C@@H]2CCCO[C@H]2c2ccccc2)n(C2CCCC2)c1C 604521387 GTYMOGVWEASHJR-NVQXNPDNSA-N 448.611 5.130 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)cc1 609020650 MXUWNQHGRUWIBZ-UHFFFAOYSA-N 431.879 5.675 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)o2)cc1 609054345 DEYPQIUCWMIFSU-UHFFFAOYSA-N 437.427 5.384 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 609430550 NNBDHBFGEDMCBS-CYBMUJFWSA-N 441.354 5.486 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 609438707 UGFPAKBWOXIWFA-CABCVRRESA-N 449.498 5.258 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cccc(CN3CCOCC3)c2)c1 609725254 RKXZHKMDEOBCFU-UHFFFAOYSA-N 447.922 5.088 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)c1 609725272 SYRUBAOUZYSIHV-NBGIEHNGSA-N 446.934 5.902 30 20 IKED N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)cc1 609757705 QZUMNSGIMYDINM-QFIPXVFZSA-N 444.984 5.175 30 20 IKED Cc1cc(C(=O)N[C@@]2(C#N)CCSC2)ccc1N[C@H](C)c1cc(Cl)ccc1Cl 610166297 NYPSOVVPFSQVOG-SPLOXXLWSA-N 434.392 5.604 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)CSCc2ccc(C#N)cc2)cc1 610191149 IBXVEVDQEGJWGD-LJQANCHMSA-N 430.573 5.687 30 20 IKED N#C[C@@H](C(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc2ccccc2n1 613290335 CNXQKRIMDVMCMQ-HSZRJFAPSA-N 428.495 5.637 30 20 IKED N#C[C@H](C(=O)c1cn(-c2ccc(Cl)cc2)nn1)c1nc(-c2ccc(Cl)cc2)cs1 613319744 MSZMYHFGMOXXNP-MRXNPFEDSA-N 440.315 5.188 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cc(OC)ccc1Br 616141177 PCYQAZICYQIMRK-UHFFFAOYSA-N 429.767 5.070 30 20 IKED CCc1csc(-n2cc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cn2)n1 677811567 AFSVARUBAWFCKQ-ZDUSSCGKSA-N 447.467 5.010 30 20 IKED N#C[C@@H](C(=O)c1cnc(Oc2ccccc2)cn1)c1nc2cc(C(F)(F)F)ccc2s1 678641127 QDWZAOCVVXGARP-AWEZNQCLSA-N 440.406 5.387 30 20 IKED COC(C)(C)c1nc(C)c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1 685783915 JKVHCPVVAIFKBM-NSHDSACASA-N 439.484 5.452 30 20 IKED C#Cc1cccc(N2C(=O)/C(=C\c3csc(-c4ccc(OC)cc4)n3)SC2=S)c1 726627673 SFOURBODFRJHIT-XDHOZWIPSA-N 434.567 5.206 30 20 IKED Cc1ccc(C(=O)CCC(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1C 727751118 LVJSFRIOHKXXRR-RUZDIDTESA-N 426.516 5.226 30 20 IKED N#C[C@@H](C(=O)CCc1cccc(OC2CCCC2)c1)C(=O)Nc1ccc(F)c(Cl)c1 727954169 LMDSODYHZIZNEB-IBGZPJMESA-N 428.891 5.081 30 20 IKED C#Cc1cccc(N(C(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)C(C)C)c1 728247541 IDNZONIFZQDMHI-UHFFFAOYSA-N 429.516 5.319 30 20 IKED C#Cc1cccc(N(C)C(=O)c2ccc3c(c2)C(=O)N(c2cc(Cl)ccc2Cl)C3=O)c1 728482501 UNTKHTQDPJRIMZ-UHFFFAOYSA-N 449.293 5.052 30 20 IKED C#Cc1cccc(N(C(=O)CCCCC(=O)N(c2cccc(C#C)c2)C(C)C)C(C)C)c1 729830527 BOPSJMOWOMJEEZ-UHFFFAOYSA-N 428.576 5.393 30 20 IKED CCOc1ccc(-c2nc(CC(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)cs2)cc1 730421267 JOIKFNDWBRDAHU-KRWDZBQOSA-N 437.521 5.377 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\COc3ccc(F)cc3C2=O)cs1 731565136 FYQGIGOMLLUFHT-MDWZMJQESA-N 428.872 5.279 30 20 IKED CC(C)[C@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 733047337 QJBKWHNHHIVNBZ-JWQCQUIFSA-N 425.532 5.136 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(COc3ccc(C)cc3C)o2)ccc1OC 733231939 LANGZXWSJLGNCC-HXUWFJFHSA-N 448.519 5.095 30 20 IKED N#CCSc1ccccc1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 733279744 HLRPMTBOYNWJES-UHFFFAOYSA-N 447.413 5.900 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Oc2ccccc2)nc1 733678543 CZZQJUMSFHXUIZ-INIZCTEOSA-N 426.259 5.142 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCC(=O)N(CCC#N)c3ccccc3)n2)cc1 733679776 NYOTUMUWRKWXPS-OAQYLSRUSA-N 442.544 5.022 30 20 IKED CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 736956835 YSHPKAHQMSGRBC-DPSWKAHMSA-N 433.939 5.893 30 20 IKED CN(C)Cc1ccc(CN(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 738520727 LCJGHEUGNFBPNS-UHFFFAOYSA-N 429.589 5.184 30 20 IKED Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1ccc(Oc2cnccn2)cc1 743426565 SANSHRMIOBPVEV-UHFFFAOYSA-N 443.319 5.005 30 20 IKED CC(COc1ccc2cc(Br)ccc2c1)=NNc1oc(C(C)C)nc1C#N 743436844 OYYDUSJHOGMBTP-UHFFFAOYSA-N 427.302 5.452 30 20 IKED CC(=NNc1nnc(-c2ccccc2)n1C)c1cnn(-c2ccc(Cl)cc2Cl)c1C 743437039 HYLDQOIXHRLTSB-UHFFFAOYSA-N 440.338 5.119 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F 744027709 BODOZDSRICBTHW-HOJAQTOUSA-N 432.426 5.208 30 20 IKED CCOc1cc(-c2ccccc2)sc1C(=O)NC1CCN(c2ccccc2C#N)CC1 747342290 LPKONFSXMJEQIL-UHFFFAOYSA-N 431.561 5.084 30 20 IKED Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)N[C@H](CCC#N)c2ccccc2)c1 749220959 DCJFFKBEVHDSPI-FTJBHMTQSA-N 427.548 5.285 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)cc1 749338432 PKYORVDMISCMTP-HXUWFJFHSA-N 433.533 5.121 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/Cc3c(F)ccc(F)c3C2=O)cs1 749582578 PEDSLXVAKAMDMQ-WQLSENKSSA-N 430.863 5.582 30 20 IKED C=CCC[C@@H](NC(=O)CCN1C(=C)c2ccccc2C1=O)c1ccc(C(F)(F)F)cc1 749948116 VCJRDHGQLRFXMF-OAQYLSRUSA-N 428.454 5.346 30 20 IKED C[C@@H](CSc1ccc(F)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 756232311 SLEVLVMLRSVCES-NHYWBVRUSA-N 425.312 5.208 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1cc(F)ccc1Sc1ccc(Cl)cc1 759144953 DQCRBFQMMHDVRG-UHFFFAOYSA-N 430.863 5.924 30 20 IKED C[C@@H](ON=Cc1ccccc1OC(F)F)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 760419782 GWEAPDHJHNIZTB-SNVBAGLBSA-N 428.222 5.757 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1nc2cc(C(F)(F)F)ccc2s1 766846225 JLMSAWQLKPWULT-QJPTWQEYSA-N 440.368 5.712 30 20 IKED N#Cc1ccc(Oc2ccc(N3C(=O)N[C@@H](c4cc(F)ccc4F)C3=O)cc2Cl)cc1 771921535 VEMYFSFITJNTJM-FQEVSTJZSA-N 439.805 5.080 30 20 IKED C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)Nc1ccc(F)cc1OCC#N 772437810 YLQWNZSDXNRPQQ-IQGLISFBSA-N 429.495 5.339 30 20 IKED N#CCc1ccccc1CC(=O)O[C@H](CC(F)(F)F)c1ccc(Br)cc1 776906899 QHZUYUTWSZSHNV-QGZVFWFLSA-N 426.232 5.295 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 778285725 OEZQSDHSWNMZNI-RUZDIDTESA-N 430.479 5.075 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1oc2ccccc2c1CSC1CCCCC1 780170253 QYKYVWLBVBIZEX-KRWDZBQOSA-N 434.561 6.542 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCCc3cn(C4CCCC4)nc32)cc1 780486194 QJIOLCZHVHQQFQ-RPBOFIJWSA-N 439.563 5.853 30 20 IKED CC(C)S[C@@H]1CCCC[C@H]1OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 781498806 QPJSSDYVJYTRPS-UYAOXDASSA-N 443.569 5.019 30 20 IKED CCCc1c(NC(=S)Nc2ccc(Br)cc2)cnn1-c1cccc(C#N)c1 783950392 CHJBXUHCCUDOMA-UHFFFAOYSA-N 440.370 5.268 30 20 IKED C=CCC[C@H](NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1)c1ccccc1 787291817 DYDMXLPEVFKCOR-DEOSSOPVSA-N 435.568 5.042 30 20 IKED CCc1ccc([C@H]2CN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CCO2)cc1 792229538 SANAEAVVTXSJHQ-CLJLJLNGSA-N 425.532 5.510 30 20 IKED CCN(C(=O)C1C[C@@H]2CCC[C@H](C1)C2NC(=O)OC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 795497348 CLAFPRLBVTVLFO-OMTPKSFGSA-N 439.600 5.187 30 20 IKED COc1cc(-c2cc(C(=O)OCC(C)(C)CCC#N)c3ccccc3n2)cc(OC)c1OC 798877276 UWRGTHNNGNBAFU-UHFFFAOYSA-N 448.519 5.414 30 20 IKED Cn1cc(-c2ccc(/C=C/C(=O)c3ccc(OCC(=O)Nc4ccccc4)cc3)s2)cn1 800793412 QPGSHWLBKXEWCB-ACCUITESSA-N 443.528 5.062 30 20 IKED Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)NCc1ccc(C#N)c(Cl)c1 802440814 CNVNNEGZZDTXGD-GOSISDBHSA-N 434.371 5.073 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(Cl)c2Cl)[n+]2ccc(C)cc2)c1 802707612 BKVSGVBIXNTDSZ-UHFFFAOYSA-O 440.375 5.894 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)n1 805890996 GFDFFXUVSGNQTL-KRWDZBQOSA-N 426.973 5.275 30 20 IKED COc1ccc2cc(NC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)ccc2c1 807306374 DJMHVJJDAVRQIE-UHFFFAOYSA-N 437.455 5.090 30 20 IKED O=C(NOC/C=C/Cl)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 810208046 RZMNDIKDSXCLLF-TXXBHVLJSA-N 444.681 5.311 30 20 IKED C=CC[C@@H](NC(=O)CCc1cc(C(F)(F)F)ccc1Br)c1ccncc1 815623264 SEZKBHUEDRZAGC-QGZVFWFLSA-N 427.264 5.229 30 20 IKED CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2cccc(C#N)c2)NC(=O)N1Cc1cccs1 840197688 WUQUJWYSZZVWQT-HSZRJFAPSA-N 442.544 5.107 30 20 IKED O=C1c2cccc3cccc(c23)C(=O)N1N=Cc1cc(Cl)ccc1OCc1cccnc1 914692640 SEQXZJKXLAJINU-UHFFFAOYSA-N 441.874 5.097 30 20 IKED Cc1oc(-c2ccccc2)nc1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915102257 URHUDOHWLCGQMC-GOSISDBHSA-N 433.920 5.846 30 20 IKED CCOc1ccc(-c2noc(CCC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)n2)cc1 915102502 VEOZMDBLQNVYCE-IBGZPJMESA-N 444.516 5.068 30 20 IKED N#C[C@@H](C(=O)CCc1nnc(-c2ccsc2)o1)c1nc2cc(C(F)(F)F)ccc2s1 915104445 RCBUQPXBVAWQNT-LBPRGKRZSA-N 448.451 5.236 30 20 IKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1 916212425 VOOLZCWGZIMLDX-MRXNPFEDSA-N 434.348 5.140 30 20 IKED CC(=O)N(c1ccccc1)c1nc(C=NNc2cc(C)c3cc(Cl)ccc3n2)cs1 916544005 NNJZUSJSRDBBIE-UHFFFAOYSA-N 435.940 5.784 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc2c(c1)Cc1ccccc1-2 916906147 OWDKTOLVRWGGHE-RUZDIDTESA-N 444.490 6.011 30 20 IKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cnn1-c1ccc(Cl)cc1 916945784 ZHNVBZLKLKPBCK-KRWDZBQOSA-N 447.709 5.102 30 20 IKED Cc1ccc(-c2noc(CCC(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)n2)cc1F 918140998 GZAGEIQLZIKGQY-UHFFFAOYSA-N 427.435 5.261 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1)c1ccc2ccccc2n1 920105875 HGTAVYDTGCRACI-PXDATVDWSA-N 443.506 5.035 30 20 IKED COc1ccc(NC(=O)c2c(NC(=O)c3cccc(C#N)c3)sc3c2CCCC3)cc1 929065798 YBCDNXSUULJYFO-UHFFFAOYSA-N 431.517 5.012 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C)c(F)c3F)CCC2)cc1 1786368048 AZDYGHFYQKYKRV-UHFFFAOYSA-N 442.506 5.004 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)Nc3nccs3)cc2)CCC1 1788619978 ZBDYESNIPHUMMX-KRWDZBQOSA-N 440.613 5.070 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3c(C)noc3C)CCC2)cc1 1789452898 DPVLJAHYHUMMIJ-JOCHJYFZSA-N 435.568 5.127 30 20 IKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)C3(F)CCC3)CCC2)cc1 1789509857 OIZYAMZJTRJEFA-UHFFFAOYSA-N 428.624 5.064 30 20 IKED N#CCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)n4ccccc34)cc2)CCC1 1789987689 KKFKJTWTUOTYCQ-UHFFFAOYSA-N 448.526 5.268 30 20 IKED CCOc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)CCC2)c1 1790289631 HYCFMCQAMYPHRU-UHFFFAOYSA-N 439.515 5.018 30 20 IKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1CSc1ccccc1)C2 1801640659 QTSAKQPEYUFIIK-SNJCGAMXSA-N 448.632 5.443 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)CCCc3ccccc3F)C2)CC1 1805497913 NQGRMLUEYCXYDR-QHCPKHFHSA-N 440.603 5.148 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)ccc2F)n[nH]1 1814618525 KDGDOHMSHZSYFF-HXUWFJFHSA-N 444.938 5.277 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc[nH]c3cc2Cl)n[nH]1 1818745492 XDVKPKXZVHLNEG-JLTOFOAXSA-N 439.947 5.063 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(C)c(C)c2)[nH]n1 1819302982 PPIBCKQCQWBDNZ-FYYLOGMGSA-N 434.584 5.030 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)c(C)cc2F)[nH]n1 1819311372 XAQYAFJRGCNYIJ-HRAATJIYSA-N 442.510 5.071 30 20 IKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 1828461081 WWFIXGNMKSHHQF-RCOXAODPSA-N 440.672 5.406 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)cc2F)CC1 1828827617 QGMSOUGGEBVBDT-XUZZJYLKSA-N 426.576 5.136 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1 1831370379 RPIPXXUCTLHXPI-WYNBGMTASA-N 442.566 5.187 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(-c2ccccc2)cc1)=C(/S)Nc1ccccc1 10170314 CLFIVGUUGAPJBO-UHFFFAOYSA-O 437.588 6.254 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1ccc(C)c(F)c1 11082901 IHOFYJWHIIZEKG-UHFFFAOYSA-O 433.981 5.750 30 20 IKED CCOc1ccc(N(C(=O)COc2ccc(C#N)cc2)c2nc3ccccc3s2)cc1 14381694 AZYOYUOOCXAFFB-UHFFFAOYSA-N 429.501 5.310 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(OC)cc2)cc1 22731309 BXRCNAAPIAHZIC-UHFFFAOYSA-O 425.599 5.274 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccccc2CC)cc1 22732033 PMNPVJRQQJNZHG-UHFFFAOYSA-O 425.524 5.428 30 20 IKED N#Cc1cc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)ccc1OCC(F)(F)F 46893253 PYYCIFPEDQAYTG-UHFFFAOYSA-N 449.816 5.379 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cccnc1OC1CCCC1 58788318 XZDKHBDKJBETHC-UHFFFAOYSA-N 429.545 5.356 30 20 IKED C=CCn1c(SCc2cn3cc(Br)ccc3n2)nnc1-c1cccc(C)c1 97393260 HMYSOXFKNBGUDG-UHFFFAOYSA-N 440.370 5.142 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCc2cccc(OC3CCCC3)c2)cc1 110588359 JWAYQODVJQNTBD-UHFFFAOYSA-N 430.470 5.403 30 20 IKED CN(CCC#N)c1ccc(CNC[C@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 237126347 MWNRXGPSUDIBNT-ZJSXRUAMSA-N 444.545 5.228 30 20 IKED Cc1cc(C)n(-c2ccc(CNCc3ccc(O[C@H](C)C#N)cc3)c(C(F)(F)F)c2)n1 237600052 ZFOLWHSOIRYIDJ-QGZVFWFLSA-N 428.458 5.089 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 303959051 BJNLSJNHCDXYGB-FCHUYYIVSA-N 426.472 5.172 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 426091514 XLEQBMIDDKKGNK-UHFFFAOYSA-N 430.439 5.707 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1csc(Cc2cccc(Cl)c2)n1 426672878 UKUXEFKBZBKDLG-YADHBBJMSA-N 435.980 5.228 30 20 IKED CCN(C(=O)Cc1ccc(NC(=O)c2cccc(SCC#N)c2)cc1)c1ccccc1 429818345 CUFPXWRFXHCJSI-UHFFFAOYSA-N 429.545 5.150 30 20 IKED N#CCCC[C@@H](NC(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccccc1 431912984 RIDXVBLZSNKRGH-UYAOXDASSA-N 430.474 5.018 30 20 IKED C[C@H](CC#N)Sc1ccccc1N[C@H]1CCN(c2cccc(Br)c2)C1=O 432331559 OBXQLHUCWWOJKK-KDOFPFPSSA-N 430.371 5.061 30 20 IKED CC[C@@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2F)c2cccs2)cc1 433519149 KDNFNMXQRNMXNY-QRQCRPRQSA-N 435.524 5.117 30 20 IKED CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)C1(c2cccc(C#N)c2)CC1 435162431 KKBMCGBUUPVYPV-UHFFFAOYSA-N 432.527 5.101 30 20 IKED C[C@@H]1COCC[C@H]1C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 436030227 BLDZZOPHVRNVJI-WQHBLYJGSA-N 437.302 5.116 30 20 IKED N#Cc1ccccc1-c1ccc(CS(=O)(=O)Cc2nc(C3CCCCC3)cs2)cc1 436087087 JARSHNAKLUVSLW-UHFFFAOYSA-N 436.602 5.844 30 20 IKED Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)Nc1cccc(OCCCC#N)c1 436121270 BYJLZBGTOCKTGH-UHFFFAOYSA-N 430.291 5.892 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 437685551 GYIDQGJBXSWABV-ZEQRLZLVSA-N 439.519 5.634 30 20 IKED CCN1CCC(CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 437960950 WZHMDQSCHFHLCL-UHFFFAOYSA-N 440.975 5.034 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438657525 WDUZQBTVZVMKJA-UHFFFAOYSA-N 446.438 5.618 30 20 IKED CCN(C(=O)c1ccc(C#N)cc1C)[C@H](c1ccc(Br)cc1)c1cccnc1 438831457 JOPBWONDQZKXHB-JOCHJYFZSA-N 434.337 5.276 30 20 IKED N#Cc1ccc(F)c(CNC(=O)C(=O)Nc2ccccc2-c2ccc(-c3ccccc3)cc2)c1 442331815 JMDGRRBPICMGSQ-UHFFFAOYSA-N 449.485 5.286 30 20 IKED C=CC[C@H]1N(C(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccn2)CCCC1(C)C 443871282 VPOZCHQBDWCZED-OAQYLSRUSA-N 429.568 5.208 30 20 IKED CC(C)N(CC(F)(F)F)C(=O)CN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444728543 DVMMIABMFFWVGG-CYBMUJFWSA-N 438.334 5.088 30 20 IKED O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 464725869 GFGBWTDXYIUKJP-UHFFFAOYSA-N 447.310 5.110 30 20 IKED CC(C)(NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nc(C(F)(F)F)cs1 465321275 YUKAUCGUPCRUGI-UHFFFAOYSA-N 449.429 5.630 30 20 IKED COc1ccc2ccccc2c1CN(C(=O)N[C@H](C)c1ccc(C#N)cc1)C1CCCC1 465655015 IKTGMGFDCSNREZ-LJQANCHMSA-N 427.548 5.935 30 20 IKED N#Cc1ccc(CSCC(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)cc1 466266870 CUQWRRQWWJAZKJ-LJQANCHMSA-N 433.346 5.057 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1OCC 467941110 AWPFBBGFEUEPEJ-UHFFFAOYSA-N 435.568 5.322 30 20 IKED C[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc2ccccc12 470542423 HGVOGOIHOJQWJQ-SFHVURJKSA-N 426.520 5.305 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)Nc3ccc(COC4CCCC4)cc3)ccc21 470561558 VGOUFYNKJSALIM-UHFFFAOYSA-N 446.551 5.373 30 20 IKED COc1cc(-c2ccccc2)sc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470840462 KICLHGZURCANPU-UHFFFAOYSA-N 445.544 5.259 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC1CCN(C2CCCCC2)CC1 473622135 TYYQFXYYCRRDEY-UHFFFAOYSA-N 432.568 5.578 30 20 IKED Cc1nc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)oc1-c1ccc(Cl)cc1 473818275 KQMMOGKBNKIZDH-AWEZNQCLSA-N 440.956 5.877 30 20 IKED CN(Cc1ccon1)C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482348123 ZIJPXOGHPLCELL-GFCCVEGCSA-N 449.273 5.157 30 20 IKED COC(=O)CCCOc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 486471968 AGHOYQLVNAMXPW-UHFFFAOYSA-N 446.528 5.294 30 20 IKED N#CCCC[C@@H](NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1 487498921 GRJOLPQSNQVJMZ-QGZVFWFLSA-N 431.483 5.799 30 20 IKED C=CCn1c(SCC(=O)Nc2nc(-c3cccs3)cs2)nnc1-c1cccs1 489463578 MZCSDZPSKFJCHW-UHFFFAOYSA-N 445.620 5.108 30 20 IKED CCn1c(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)nc2cc(C#N)ccc21 490766883 CMAZMMSEXHCJLW-UHFFFAOYSA-N 433.471 5.502 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCCC4(CCC4)C3)s2)c(C(F)(F)F)c1 496299138 ALTXIZSFWCMULP-UHFFFAOYSA-N 434.487 5.422 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc(C)c1OCc1cccnc1 503574400 RNFCQPINZDXXIV-QFIPXVFZSA-N 439.540 5.891 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CC=CC[C@@H]3c3nc4ccccc4s3)CC2)cc1 505123347 FOLLJTDFFYFHPM-FCHUYYIVSA-N 443.572 5.288 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)c3nccs3)cc2)cc1 509227383 PVHZEODYAASJBE-JOCHJYFZSA-N 426.501 5.718 30 20 IKED CN(CC(=O)Nc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510055347 LNYPTLGLLYGRSC-NRFANRHFSA-N 432.911 5.098 30 20 IKED C=CCC[C@H](NC(=O)N1CCC(C)(c2nc(C)no2)CC1)c1ccc(C(F)(F)F)cc1 510587673 HVDRZBGTCRATAF-SFHVURJKSA-N 436.478 5.167 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(Cl)c(Br)c1 510611839 AYHRKRFWBRYBJL-UHFFFAOYSA-N 442.700 5.722 30 20 IKED CN(CC(=O)Nc1cccc(Cl)c1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 510670825 YFMXSZDDKVPMLD-UHFFFAOYSA-N 434.883 5.106 30 20 IKED C=CCN(C(=O)c1noc2c1CCCC2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 512301758 VJMXFTZQMKDTFR-UHFFFAOYSA-N 434.348 5.817 30 20 IKED C=CCN(C(=O)c1ccc(OC)c(-c2ccnn2C)c1)c1nc(-c2ccccc2)cs1 512935253 CAMAWRINMQOWNW-UHFFFAOYSA-N 430.533 5.052 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)c12 513676383 DDXSSIPVARUNGZ-MRXNPFEDSA-N 429.549 5.472 30 20 IKED COc1ccc2nc(N(Cc3ccccc3)C(=O)[C@H](C)Oc3ccccc3C#N)sc2c1 516069006 CQNLMPXQERHYAE-KRWDZBQOSA-N 443.528 5.177 30 20 IKED Cc1ccc(OCc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)o2)c(C)c1 516264879 WOQHHDVVORYWDH-KRWDZBQOSA-N 435.430 5.710 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(-c2nc3ccc(C#N)cc3[nH]2)cs1 516381017 WLYJMAYQIRURHI-UHFFFAOYSA-N 427.411 5.261 30 20 IKED CCOc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1F 517324124 IPGSCGNQANUCDG-UHFFFAOYSA-N 437.446 5.136 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)c3nccs3)cc2)c1 517530145 OIQVJNQVEBIWGT-JOCHJYFZSA-N 426.501 5.718 30 20 IKED Cc1nn(-c2ccccc2)c2sc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cc12 518642810 MCHVCPIYZWPHAS-SFHVURJKSA-N 441.541 5.404 30 20 IKED COc1ccc(Cn2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cn2)cc1 518852194 ZBRAEOKDIAXGNF-FQEVSTJZSA-N 448.935 5.207 30 20 IKED C=CCn1c(SCC(=O)NC[C@H]2CC=CCC2)nnc1-c1ccc(Cl)cc1Cl 519024006 ZZLPSBLKOIMRIR-AWEZNQCLSA-N 437.396 5.003 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C 519073212 ULYHLFYNJKWOOM-UHFFFAOYSA-N 438.531 5.760 30 20 IKED Cc1cc(C(F)(F)F)nn1CC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 519736781 WHNOPXAZABFKRM-GFCCVEGCSA-N 447.301 5.039 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NCC3(c4ccc(F)cc4)CCOCC3)cc2)cc1 521091868 BWDTYGUCZOOXQH-UHFFFAOYSA-N 444.506 5.162 30 20 IKED C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 521811074 REYLUQMGIOOVDP-SFHVURJKSA-N 438.491 5.156 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1cccc(Br)c1)C1CC1 521811997 BNEVDJCJJMGBSY-OAHLLOKOSA-N 444.398 6.040 30 20 IKED COc1ccc(Br)cc1CC(=O)Nc1sc(-c2ccccc2)cc1C#N 524662091 PCWOXKHGUITIKB-UHFFFAOYSA-N 427.323 5.239 30 20 IKED CN(C)C(=O)C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2C#N)c2ccc(Cl)cc21 525537130 CLUHQZYQCXVEBG-GOSISDBHSA-N 443.934 5.101 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c[nH]nc1-c1ccccc1F 531027653 GPWKMKGZXZPDGU-UHFFFAOYSA-N 426.451 5.227 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](COc2ccccc2Cl)C1 533139031 HYYPSDZLTSMSCJ-ROUUACIJSA-N 444.000 5.915 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)cc1 533767694 PJBKNECPUZEWMU-GOSISDBHSA-N 440.613 5.614 30 20 IKED C=C[C@H](CC(=O)N1CCC[C@@H]1c1ccccc1I)c1ccccc1 534685716 DGSTZGZDKAECIC-OXQOHEQNSA-N 431.317 5.315 30 20 IKED Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N[C@H](C)c2ccc(C#N)cc2)c1C 539255772 IVVNNPDORSURDT-OAHLLOKOSA-N 438.329 5.006 30 20 IKED CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1ccccc1Oc1ccccc1C#N 539759229 DJYFUXOOKJZFTK-UHFFFAOYSA-N 428.488 5.487 30 20 IKED O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 542568117 DXTSFIAYSLTBNL-DLBZAZTESA-N 435.339 5.513 30 20 IKED C[C@@H](NC(=O)N[C@@H](c1ccccc1)c1nccs1)c1ccc(-c2cccc(C#N)c2)cc1 542962716 RPXZAFQQLVTMOE-KOSHJBKYSA-N 438.556 5.832 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NC[C@@H](C)c1nccs1 543509624 MJKDITMTOCRMKG-CQSZACIVSA-N 440.594 5.015 30 20 IKED N#Cc1cc(N2CCC[C@@H]2c2ccc(Br)s2)nc2ccc([N+](=O)[O-])cc12 544133614 ULABGUPWLDYYDN-OAHLLOKOSA-N 429.299 5.180 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(-c2nc([C@@H]3CC(=O)N(CC4CCC4)C3)no2)c1 545145601 LNCMHUWOBOEHPX-GOSISDBHSA-N 448.910 5.170 30 20 IKED Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 552105024 CVYKXUNFJXAHFQ-LJQANCHMSA-N 434.559 5.240 30 20 IKED C[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1cccc(Cl)c1Cl 561569267 PVLCQPBZCBEHRA-CYBMUJFWSA-N 436.314 5.318 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl 571306795 DRINRECVPVZEDP-UHFFFAOYSA-N 441.959 5.262 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3nc4cc(Cl)ccc4s3)cn2)cc1 604443989 JJQTUUJZKNKLEK-UHFFFAOYSA-N 435.896 5.330 30 20 IKED C=CCN(C(=O)c1csc(Cc2ccccc2F)n1)c1nc(-c2ccccc2)cs1 605078747 LJQZQSGUCJQGPJ-UHFFFAOYSA-N 435.549 5.829 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1sccc1OC(F)F 605479686 UFFHSNBBIGHIBZ-UHFFFAOYSA-N 435.292 5.562 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCO[C@@H](c3ccccc3F)C2)cc1 608995633 UNICAEJQJZWUSC-RUZDIDTESA-N 445.494 5.076 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCN(CCC(C)(C)C)CC1 609079137 LDLJSIWDHNETAB-UHFFFAOYSA-N 434.584 5.031 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C 609356544 KGWIMQXKRJGHQD-IBGZPJMESA-N 430.577 5.757 30 20 IKED Cc1cc(SCC(=O)Nc2ccccc2SCCC#N)c(C)cc1Br 609375346 KJJVNDDJDCVMNY-UHFFFAOYSA-N 435.412 5.803 30 20 IKED CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@@H](C)Cc1ccc(OC)cc1 609433700 CIKOMDZXSUDGGU-SFHVURJKSA-N 430.508 5.239 30 20 IKED CN1CCC[C@H](CNc2c(C#N)nnc3ccccc23)[C@H]1c1ccc(C(F)(F)F)cc1 610131307 NKIZEKMBGNQXQB-OPAMFIHVSA-N 425.458 5.015 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2cc3ccccc3o2)nnc1-c1ccccc1 613808916 IKOUQQHVSVTAFH-QGZVFWFLSA-N 432.549 5.189 30 20 IKED C=CCn1c(C)cc(C(=O)Cc2nc(O)c3c(-c4ccc(C)cc4)c(C)sc3n2)c1C 614109081 SCWWHVHCIDJVLV-UHFFFAOYSA-N 431.561 5.710 30 20 IKED CC(C)CN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@H]1CCCc2cccnc21 614137372 DRHVPGHIGDKNFV-QHCPKHFHSA-N 441.535 5.708 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc(OC2CCCC2)c(OC)c1 615676051 ZCEBWDFDOODVIW-IBGZPJMESA-N 438.568 5.484 30 20 IKED CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 619429644 LANWACYSWKEGMG-XMMPIXPASA-N 432.564 5.077 30 20 IKED COc1ccc(-c2nnc(S[C@@H](C#N)c3ccc(Cl)cc3)n2C[C@@H]2CCCO2)cc1 619863770 CIMKEMDGMVMYHB-PMACEKPBSA-N 440.956 5.143 30 20 IKED CCOCCOc1ccccc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 623173854 GIXFYASCYPZFAY-OAHLLOKOSA-N 434.439 5.220 30 20 IKED C=CCN(C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1nc2c(s1)CCCC2 623331869 ZLQNZYLLFZRHAH-UHFFFAOYSA-N 441.560 5.102 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccc(C)c(NC(C)=O)c1C)c1ccc(C(F)(F)F)cc1 676748253 PYNDPSNSRHJRTJ-HXUWFJFHSA-N 433.474 6.110 30 20 IKED O=C(Nc1cc(Cl)c(F)c(Cl)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 683156208 FMFIIQZZVCSDSJ-KNVOCYPGSA-N 427.147 5.727 30 20 IKED CCCNC(=O)Nc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 726321381 GMTZVCQWNQASGO-FQEVSTJZSA-N 432.549 5.069 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc4c(c3)OCO4)n2)cc1 726733449 YRGGBQJINJXGIF-RDTXWAMCSA-N 447.516 5.013 30 20 IKED CCN(C[C@@H](C)C#N)Cn1nc(-c2cccnc2)n(-c2ccc(Cl)c(Cl)c2)c1=S 726963599 JACWOJBKYWYATF-AWEZNQCLSA-N 447.395 5.211 30 20 IKED C#Cc1cccc(N(C)C(=O)CCc2c(-c3ccc(OC)cc3OC)[nH]c3ccccc23)c1 728481802 XXHFSURUMRQWEJ-UHFFFAOYSA-N 438.527 5.429 30 20 IKED CCOc1ccc(-n2c(-c3ccc(Cl)cc3)nn(CN(C)[C@@H](C)CC#N)c2=S)cc1 728901835 AIZJXWKGLICPAO-INIZCTEOSA-N 441.988 5.314 30 20 IKED CC[C@H](C)Oc1ccccc1/C=C/C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 729889031 BLSNHRMTTDFXMO-PIJMTYBESA-N 447.560 5.343 30 20 IKED C[C@H](OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nnc(-c2cccs2)o1 730375511 IUNKBKGBXULKIA-ZDUSSCGKSA-N 435.436 5.519 30 20 IKED O=C(Nc1ccc(Cl)cn1)c1cccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2O)c1 731488935 WBSIRKDAHDOPHH-UHFFFAOYSA-N 431.235 5.005 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)cc1 732943559 RYDRRWMOWKAITA-UHFFFAOYSA-N 430.464 5.047 30 20 IKED CC(C)c1ccc(C(=O)Nc2sccc2C(=O)OCc2ccc(OCC#N)cc2)cc1 733453840 LLNMBWGPRDMFEG-UHFFFAOYSA-N 434.517 5.383 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(-c3ccccc3)cc2C)ccc1OC 733621266 IPEILBLPSWXJSI-QFIPXVFZSA-N 429.520 5.673 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(-c3ccccc3)cc2F)ccc1OC 733622167 QYMCEUMMTXGCOO-FQEVSTJZSA-N 433.483 5.504 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 735013709 QBRCUVQAHLINIM-OAQYLSRUSA-N 445.906 5.615 30 20 IKED COc1cc(F)c([C@H](C)NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1OC 740061087 LRENWOGIWOYHTH-AWEZNQCLSA-N 439.512 5.003 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)/C=C(/C)c2cccc(C(F)(F)F)c2)ccc1OC 742674311 NAMWYJGEGXSCCE-DQXUBXGMSA-N 432.442 5.115 30 20 IKED CN(C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccc(Br)nc1 742811145 OZMMGYVUTJBYCF-UHFFFAOYSA-N 442.700 5.438 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)OCc1nnc(-c2cccc(C#N)c2)o1 744874780 SOJUHHAYUXATBB-UHFFFAOYSA-N 442.909 5.112 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(-c3ccncc3)cc2)cs1 745989934 HCXWNPZAWYTQFV-DHZHZOJOSA-N 443.503 5.925 30 20 IKED Cc1oc(-c2ccco2)nc1CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 750399008 YFSILOQBFORSFN-GFCCVEGCSA-N 431.395 5.291 30 20 IKED O=C(COc1ccc(C(=O)/C=C/C=C/c2ccccc2[N+](=O)[O-])cc1)Nc1ccccc1 750903155 OJVCBDDNWGQWCU-MHUSLGGSSA-N 428.444 5.065 30 20 IKED COc1cccc(CC2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)c1 752485848 RSIORWDKGWOGQX-HHHXNRCGSA-N 439.559 5.837 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1 758780718 SWZWBECZHBTWHX-WIYYLYMNSA-N 448.567 5.067 30 20 IKED COc1ccccc1[C@@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccccn1 759594158 GLGSYISUSRVTHU-RUZDIDTESA-N 440.455 5.080 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)n(Cc3ccncc3)c2C)cc1 762994504 LDVFCSHUWRYYOK-BXKMTCNYSA-N 428.536 5.023 30 20 IKED N#Cc1cc(NC(=O)c2csc(-c3ccc(Cl)s3)n2)c(Cl)c([N+](=O)[O-])c1 764301093 CFZZSTAJBLDSJV-UHFFFAOYSA-N 425.278 5.211 30 20 IKED N#C[C@@H](C(=O)Cc1ccn(-c2ccc(F)cc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 768765583 MRUBJMCTKRORJY-INIZCTEOSA-N 444.413 5.059 30 20 IKED N#C[C@@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)C(=O)Nc1ccccc1Cl 769945474 LLBWRCBCHFVOPP-FYQHACEVSA-N 427.209 5.287 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(C(F)(F)F)ccc2Br)c1 770291452 WATFJALHPRSTRK-CQSZACIVSA-N 441.247 5.079 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)cc3F)C2)cc1 779398176 WOFNMUWVEDRONL-LADGPHEKSA-N 433.458 5.226 30 20 IKED C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@H]1C(=O)[C@H](C#N)c1nc2ccccc2s1 780301185 HISOKLZHPJOHPN-AFYVEPGGSA-N 443.572 5.257 30 20 IKED COc1ccc(COCc2cccc(NC(=O)Nc3ccccc3O[C@@H](C)C#N)c2)cc1 780531267 YPWFNBWWLMVLBT-SFHVURJKSA-N 431.492 5.347 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1 783352687 CYSWSQFSGUGPOV-JOCHJYFZSA-N 442.471 5.041 30 20 IKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCCC#N)c1 784125042 LUAVDIDBTAAMGY-OAQYLSRUSA-N 434.565 5.074 30 20 IKED CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](N[C@H]3CCc4cc(C#N)ccc43)c3ccccc3O2)C1 787027144 OWUNWOIFIZYOLQ-WCYRKSIYSA-N 445.563 5.039 30 20 IKED Cc1c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)sc2ccc(C#N)cc12 794272501 VKCTYIMBZPNPEX-UHFFFAOYSA-N 441.503 5.082 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2cccc3cccnc23)cc1 796790584 SFTAYRLZRQYAMW-VWLOTQADSA-N 447.538 5.988 30 20 IKED COc1cccc(C(=O)CCCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 796809069 VATSFFJUKRRZLH-INIZCTEOSA-N 440.471 5.326 30 20 IKED CCCCCCCC[C@H](C)CC(=O)N1CCC(O)(c2scnc2Br)CC1 797771660 QNNKHEQGJVTHPQ-INIZCTEOSA-N 445.467 5.492 30 20 IKED Cc1ccc(C(=O)N(c2ccccc2F)C2CCN(C(=O)OC(C)(C)C)CC2)cc1C#N 799342761 PTLYQWCKPMCQSI-UHFFFAOYSA-N 437.515 5.052 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@H](c2ccc(F)cc2)c2ccc(Br)o2)c1 815593648 SSMDZFGDYQWCFJ-XMSQKQJNSA-N 443.316 5.741 30 20 IKED Cc1ccc(Cn2nc(C)c(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)c2Cl)cc1 877881375 PQXRRSPARGBBKU-AWEZNQCLSA-N 438.984 5.512 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@H]1c1noc(-c2cccc(COc3ccc(C#N)cc3)c2)n1 904700406 CJFFYHSRKAVXDU-NRFANRHFSA-N 446.507 5.259 30 20 IKED CC(=NOCC(=O)Nc1ccccc1Oc1ccccc1)c1ccc(NC(=O)C2CC2)cc1 914572214 HLPDCUQDWNUQEN-UHFFFAOYSA-N 443.503 5.207 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCC(=O)CCC(=O)c2cccs2)cc1 915086007 QVGYZQAKFCMYNZ-JOCHJYFZSA-N 430.529 5.354 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(OCc3ccccn3)c2)cc1 915358718 AOGRUAVYKDCAPV-MHZLTWQESA-N 448.526 5.638 30 20 IKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(C(C)C)cc1 916207624 ZMOTWYJGRVZNGH-OAQYLSRUSA-N 439.581 5.189 30 20 IKED CC(=O)N(c1nc(C=NNc2cccc(C(F)(F)F)c2)cs1)c1ccc(F)cc1F 916259915 IYJMVDQHODHECA-UHFFFAOYSA-N 440.397 5.571 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCn2c3ccccc3c3ccccc32)cc1Cl 916941169 QCVNDFMBPMBJIE-IBGZPJMESA-N 445.906 5.194 30 20 IKED COc1ccc(S[C@H](C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917044714 UFKNXMILCRBBNU-IAQYHMDHSA-N 436.480 5.681 30 20 IKED Cc1nn(-c2ccccc2)c(Cl)c1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917045914 CMJSTGLGTFXBHA-CQSZACIVSA-N 427.316 5.587 30 20 IKED Cc1ccc2[nH]c(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c(Cl)c2c1 1523823536 LZZXVCQHQGJVIA-CYBMUJFWSA-N 436.924 5.209 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cccn4cncc34)CCC2)cc1 1785841880 BFAGOLQVOBSXGG-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)C[C@H]3OCCc4ccccc43)cc2)CCC1 1786314388 MVFIRQHWWINZLM-RUZDIDTESA-N 444.575 5.018 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3csc(C)c3C)CCC2)cc1 1786364241 LHFYETNAKXAIJA-UHFFFAOYSA-N 426.582 5.095 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(F)F)no3)CCC2)cc1 1789625994 GYWAUMCRMBBXAZ-UHFFFAOYSA-N 431.483 5.352 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)(C)C)cc3)cc2)CCC1 1790685118 DCWPCSVHBKXAFU-UHFFFAOYSA-N 432.564 5.415 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)cc4)CCC3)cc2)cc1 1790707805 PJFXDNXYDHVULS-UHFFFAOYSA-N 443.934 5.468 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)C[C@H](C)Oc3ccccc3)cc2)CCC1 1791146432 GXGVSLUBQBEOBD-SFHVURJKSA-N 442.506 5.190 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)C34CC(c5ccccc5)(C3)C4)CCC2)cc1 1791585378 BAMCSYNNPHXLSD-UHFFFAOYSA-N 426.560 5.046 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(Cl)ccnc3c1)C2 1798591849 LVDJBPZEAUWVHZ-REPLKXPHSA-N 439.987 5.132 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](c1ccc(Cl)cc1)C(C)C 1801552115 APOSTBAJIHDFFT-VHJOFQCFSA-N 443.031 5.486 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccccc2)[nH]n1 1814445704 UIQRNOSKRDSWRB-URVUXULASA-N 434.584 5.198 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ncccc23)n[nH]1 1818472481 YDALJPSAAIYLEF-FDDCHVKYSA-N 443.551 5.032 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(OC)ccc2C)n[nH]1 1821171715 SXZWSRZEYGHOAV-NRFANRHFSA-N 438.572 5.025 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)c(C)c3Cl)CC2)C1 1823704838 WDNAZXKBHBQBSM-OAQYLSRUSA-N 449.422 5.501 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cnccc3c2)CC1 1823752453 UCRYXZLICLOPBA-RUZDIDTESA-N 447.623 5.461 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)c2ccc(O)cc2)CC1 1823753682 XPUXHUIFQXGDRO-RDPSFJRHSA-N 440.628 5.108 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(C)C)on2)CC1 1826155611 HRRLNHIAVUVPLF-NRFANRHFSA-N 429.605 5.024 30 20 IKED CC[C@H](C)[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C#N)CCC2)CC1)c1ccccc1 1826421455 ABXPJYISWRWYPX-FTBPSBKWSA-N 449.639 5.130 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)ccc2Cl)CC1 1828827588 PWUUQVCULFQQRO-NZQKXSOJSA-N 446.994 5.481 30 20 IKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 1831858305 LBABEAIXGUEANO-DEOSSOPVSA-N 432.564 5.288 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CC2CCC(C)(C)CC2)CC1 1832030211 IRBFYRFFVHUAEU-DEOSSOPVSA-N 428.661 5.406 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(OC)c2F)CC1 1832748469 WKRBVHMZTASQDO-OAQYLSRUSA-N 444.591 5.060 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(CC)cc2)cc1 10173838 DSEBCEFSZSXGDN-UHFFFAOYSA-O 441.523 5.264 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(SC(F)F)cc2)n(C2CCCC2)c1C 10769757 BYAUOJQLQRMSLY-UHFFFAOYSA-N 447.507 5.202 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccoc1C 21668469 RPUUKMSLRJNMTR-CYBMUJFWSA-N 436.459 5.171 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc(C(C)(C)C)cc2)cc1 22730080 BLTBZVSGKSBIPI-UHFFFAOYSA-O 433.597 5.721 30 20 IKED C=CCn1c(SCCCC(=O)c2ccc(Br)cc2)nnc1-c1ccoc1C 36209514 ZBFVPTGWAVLGMR-UHFFFAOYSA-N 446.370 5.550 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)c1ccc(CC)cc1 60384017 NJVGKYPCZKIUAC-INIZCTEOSA-N 425.529 5.108 30 20 IKED Cc1ccc2oc(SCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccccc3)nc2c1 303680968 YVVLGCOXNRBGPD-UHFFFAOYSA-N 430.533 5.205 30 20 IKED C[C@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(C(F)(F)F)cc1 409966955 NIKAVAPYPLSCTJ-HNNXBMFYSA-N 429.442 5.031 30 20 IKED Cc1ccc(CN2CCCC2)cc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 427573075 ILGLBGRVHNKYHG-UHFFFAOYSA-N 425.532 5.294 30 20 IKED C=CCN(C(=O)c1ccc(Sc2ccccc2Cl)nn1)c1nc2c(s1)CCCC2 428352442 PXYIJFMSYRFAMG-UHFFFAOYSA-N 442.997 5.449 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 429707229 YMSCAWRCAJECNB-GHTZIAJQSA-N 437.906 5.028 30 20 IKED CN(C[C@@H](O)Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 432773028 ZBXDFXYYYGSCBF-FQEVSTJZSA-N 435.911 5.071 30 20 IKED Cc1cc(C)c2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c2c1 437393505 YHIXKLCRVQXDRR-GOSISDBHSA-N 430.458 5.964 30 20 IKED CCO[C@H](C)c1ncc(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)s1 442673645 VHQUZRABWLLUGM-PWNHMFLQSA-N 441.622 5.655 30 20 IKED N#CCCCn1cc(C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)c2ccccc21 444301445 MJSGCDJTCMSLMO-XMMPIXPASA-N 428.923 5.513 30 20 IKED N#Cc1ccc(-c2nnc(CN3Cc4cc(Cl)ccc4C[C@H]3c3ccccc3)o2)cc1 446716834 MTOQPKMZFCKVEC-QHCPKHFHSA-N 426.907 5.561 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3ccc(Cl)cc3-c3nc4ccccc4[nH]3)on2)c1 448350178 DNDXVGVKVIVJQT-UHFFFAOYSA-N 439.862 5.662 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 460959068 JNNYJJZWOBJTKN-JOCHJYFZSA-N 429.524 5.150 30 20 IKED CCN(Cc1ccccc1NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)C(C)=O 464864442 MSVMSUBBPQJGHO-UHFFFAOYSA-N 427.504 5.280 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3cccc(-c4cccnc4)c3)c2)cc1 467169688 MVFMBAFRLCMNTF-UHFFFAOYSA-N 448.526 5.715 30 20 IKED CO[C@@H](CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(F)(F)F 469117650 RZFBPHAOQRXAML-KRWDZBQOSA-N 427.810 5.093 30 20 IKED COc1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1Oc1ccc(C)nn1 469739550 LHHMGVXIEHEALP-UHFFFAOYSA-N 441.491 5.097 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCC[C@@H]3CCC3CCCCC3)ccc21 470563142 AGXAPBDDUASMEV-HSZRJFAPSA-N 436.600 5.626 30 20 IKED Cc1c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cccc1NC(=O)N(C)C 471357295 NPTMESPYTTZMFZ-UHFFFAOYSA-N 448.910 5.658 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 472330056 TVMLVIIQINJHHG-MFMILTCTSA-N 428.989 5.159 30 20 IKED N#CC[C@H](CC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1)c1ccccc1 475257693 RZJWQOQHTRQKSN-HXUWFJFHSA-N 438.358 6.005 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 477275755 QYNHQWZBIDSWDC-UHFFFAOYSA-N 436.792 5.243 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccncc2Br)cc1Cl 477324983 UJLOVHISPIAIKK-QGZVFWFLSA-N 426.701 5.405 30 20 IKED CCN(CC)C(=O)c1ccc(CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1 479533828 UHUJKJGRXFCCSM-UHFFFAOYSA-N 443.572 5.121 30 20 IKED C=C(C)[C@@H](NCc1nc(-c2ccc(OC(F)F)c(OC)c2)no1)c1ccc(F)c(F)c1 481618084 AZGGMDCDDYHHEZ-LJQANCHMSA-N 437.393 5.032 30 20 IKED N#CC1CCN(C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CC1 482345723 MJNOLKKQHOGVFZ-CYBMUJFWSA-N 447.301 5.273 30 20 IKED Cc1cc([C@@H]2CN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CCO2)ccc1F 483084502 FLFWXFJUKNFBTL-VWLOTQADSA-N 445.494 5.712 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)NC[C@H](c3ccccc3)C(F)(F)F)s2)cc1 485971095 VBLBLFJDRJYXRP-GOSISDBHSA-N 430.455 5.073 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3C(F)(F)F)s2)cc1 487383808 DNIJJPFFHMPTJX-QZTJIDSGSA-N 427.451 5.367 30 20 IKED C=CCC[C@H](C(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)c(C)s1)c1ccccc1 488614721 ZEFFBUWLIZEZSG-IBGZPJMESA-N 439.606 5.505 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N[C@@H](C)c3ccc(Cl)cc3)o2)cc1 489792326 OWPNMDQNMKLBLF-LSDHHAIUSA-N 443.956 5.313 30 20 IKED CC1(C)CN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 497815787 AXKSGHVJMPGSSB-FQEVSTJZSA-N 428.454 5.253 30 20 IKED N#Cc1ccc(N2CCC[C@H](N[C@@H](c3cccnc3)c3cc4ccccc4o3)C2)c(F)c1 498934667 SNFIEROEJDCGTF-LVXARBLLSA-N 426.495 5.187 30 20 IKED COc1cc(CCC(=O)N(CC(C)C)c2ccc(C#N)cc2)ccc1OCC(F)(F)F 499326255 YYYZFBMIKRPBMA-UHFFFAOYSA-N 434.458 5.130 30 20 IKED C=CCc1ccc(OCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(OC)c1 500737035 ALHJLMMOYBZXTD-UHFFFAOYSA-N 428.488 5.414 30 20 IKED C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccccc2Sc2ccccc2C#N)C1 501229950 RBEYQUSKQZQKER-SIKLNZKXSA-N 427.573 5.275 30 20 IKED C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 501476170 HGABUOOPDJREKS-AVRWGWEMSA-N 439.515 5.178 30 20 IKED Cc1cc(Sc2nnc(C(C)C)n2Cc2ccco2)n2c(nc3ccccc32)c1C#N 502091608 OTHNRJXSUPLTAZ-UHFFFAOYSA-N 428.521 5.175 30 20 IKED COc1cc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc(OC)c1OC 502322597 ZLQUQDMJZUPGGC-UHFFFAOYSA-N 447.491 5.001 30 20 IKED CCCN(CCc1cccc(F)c1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 502650639 LKIGSDTWSFZSJQ-UHFFFAOYSA-N 444.510 5.436 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1 503616950 WNLCMRCVLGIQNY-UHFFFAOYSA-N 448.526 5.525 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 503965501 LGVDBQLKYGHAMR-UHFFFAOYSA-N 445.519 5.249 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 505010107 BNBAJWRWRFKYHQ-LJQANCHMSA-N 436.943 5.920 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)CC2)c(F)c1 505108658 LPXFLYOJLPCXHV-RUZDIDTESA-N 439.534 5.088 30 20 IKED N#C[C@@H](NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1cccc(Cl)c1Cl 505356601 YHYOARFJBDCNBU-LJQANCHMSA-N 442.277 5.379 30 20 IKED CC(C)c1cc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c2cnn(C(C)C)c2n1 505928150 JZYJLOMKVRFPKJ-LJQANCHMSA-N 429.446 5.149 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@H](c2nccs2)C(F)(F)F)c1 507640303 IUQSATLGNWGFDY-MRXNPFEDSA-N 437.830 5.494 30 20 IKED CN(Cc1cc(Br)cs1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 510694668 ZGZKTAWCSQDLHF-UHFFFAOYSA-N 442.338 5.838 30 20 IKED O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)[C@@H]1CC[C@@H](C(F)(F)F)C1 512535702 CNGXIWCSNDSEIN-GHMZBOCLSA-N 436.327 5.949 30 20 IKED CC(C)c1c(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1cccc(Cl)c1 513172277 UIZWBNKDKQGINU-INIZCTEOSA-N 432.833 5.553 30 20 IKED Cn1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(Cl)c2ccccc21 513301140 LBCSKUIUXFDBLM-GFCCVEGCSA-N 427.863 5.723 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2s1 513691451 CTUJKQVSLNVORG-OAHLLOKOSA-N 439.949 5.784 30 20 IKED C/C=C\c1ccc(OCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(OC)c1 515654709 CHWGCMTWGIIECF-UTCJRWHESA-N 442.515 5.391 30 20 IKED N#CCCCOc1cccc(NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)c1 516008034 IWRNVUNJZDBMLK-UHFFFAOYSA-N 442.544 5.790 30 20 IKED Cc1ccc2nc(COc3cccc(C(=O)Nc4ccccc4SCCC#N)c3)cn2c1 517441321 UGELLCPWWBFMKU-UHFFFAOYSA-N 442.544 5.480 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3cc(C#N)cn3C(C)(C)C)c2)cc1 517445404 GKMWFAWGPDSGDU-UHFFFAOYSA-N 443.547 5.468 30 20 IKED COc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OCc1cscn1 518739150 PSIRXCBARFUONE-HNNXBMFYSA-N 439.562 5.377 30 20 IKED C[C@H](COc1ccccc1C(F)(F)F)NC(=O)Nc1ccccc1S[C@H](C)CC#N 520195549 CLTCPHRXBXSVNV-HUUCEWRRSA-N 437.487 5.689 30 20 IKED C=CCN(C(=O)[C@@H]1C[C@H]1c1cccc(OC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 524669499 FSPRXUNZHASITD-VQTJNVASSA-N 435.505 5.050 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)cc1 525418511 GDIGXLOGWKLAMW-AUSIDOKSSA-N 449.913 5.802 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ccc(OC2CCOCC2)cc1 525665598 OUWDFJIYJOIYCL-UHFFFAOYSA-N 444.506 5.411 30 20 IKED C=CCN(C(=O)[C@@H](C)c1cnn(C)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 531416485 YSNNLFVQCBJKHQ-SFHVURJKSA-N 428.561 5.533 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 532991067 UTOMIWUZJRZOJI-FDDCHVKYSA-N 435.955 5.093 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc1 539208478 HKFQVMXOVMLTRF-JOCHJYFZSA-N 431.561 5.178 30 20 IKED CN(C(=O)c1ccccc1Oc1ccccc1C#N)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 542559125 JZVJHTWBYUGBPE-OFVILXPXSA-N 430.479 5.482 30 20 IKED C[C@H]1C[C@H](c2cccnc2)N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 543564102 RNGLFXMGIVELDX-UQBPGWFLSA-N 426.520 5.342 30 20 IKED Cc1c(C(=O)Nc2ccccc2SC[C@H](C)C#N)oc2c(Br)cccc12 543900494 ZNPJUBIMTOGMRG-GFCCVEGCSA-N 429.339 6.008 30 20 IKED Cc1nc(C(F)(F)F)c(CS(=O)(=O)Cc2ccc(-c3ccccc3C#N)cc2)s1 545337640 BWKQUZXYSYHJIR-UHFFFAOYSA-N 436.480 5.124 30 20 IKED Cc1c(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)sc2ccc(C#N)cc12 550249397 LDFRXVQKMOECNA-UHFFFAOYSA-N 442.978 5.990 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)NC[C@H]2CCO[C@H]2c2ccccc2)cc1Cl 551305888 UUWQNHBPLTZDHH-YKSBVNFPSA-N 432.907 5.512 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@]2(C1)OCc1ccccc12 555220897 IXLQNHTUUNATJM-ZBLYBZFDSA-N 444.579 5.247 30 20 IKED CC(C)(C)c1csc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)c2cccs2)c1C#N 555981756 WTMKCHXNCGRJEP-SFHVURJKSA-N 437.590 5.017 30 20 IKED CCC[C@@H](NC(=O)N(CCOC)Cc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 565137294 WMYNNWWBAZCVOB-OAQYLSRUSA-N 433.474 5.276 30 20 IKED COc1ccc2c(c1)C1(CC1)CN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1C)C2 569892941 WAQCDTSOAWGVQY-UHFFFAOYSA-N 439.515 5.747 30 20 IKED CC1(C(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)CCN(c2ccc(Cl)cc2C#N)CC1 577672921 ASZRXLYEDOVOBN-CRAIPNDOSA-N 441.925 5.303 30 20 IKED C=CCOc1ccccc1CNC(=O)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C 600868787 RJEKSGXDUIVFGM-INIZCTEOSA-N 425.529 5.383 30 20 IKED N#C[C@@H](C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1nc2ccccc2o1 603613797 VGUUXUQOOHSWQF-INIZCTEOSA-N 446.850 5.492 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)CCNC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1 609176203 AVRPTMJXBRHIPK-UHFFFAOYSA-N 443.547 5.012 30 20 IKED CCOc1ccccc1N1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 609208980 MOJLSNRBOAHIOX-UHFFFAOYSA-N 442.519 5.103 30 20 IKED CCCSc1ccc(-c2nn(-c3ccccc3)cc2CNC2CCN(CC#N)CC2)cc1 609335128 VNDJPJJEXJVPBI-UHFFFAOYSA-N 445.636 5.119 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 609437844 SZAQWJHHCXCVOG-DNVCBOLYSA-N 427.957 5.036 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)c1 609723281 ZYIJXPLENIZWIC-PZJWPPBQSA-N 442.968 5.131 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCS[C@@H](c3ccccc3)C2)cc1Cl 609807223 HTDFULRSRPXMMF-LADGPHEKSA-N 447.991 6.317 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(OC(F)F)cc3OC(F)F)c2)cc1 609991258 OEYJAHNFSBMMCS-UHFFFAOYSA-N 445.372 5.757 30 20 IKED Cc1nc(NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)sc1SCC#N 610435127 RWWOQDRVGJBJMD-UHFFFAOYSA-N 440.497 5.462 30 20 IKED CCOC(=O)c1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)o1 610629169 KRJGIEIQLFKHRX-IBGZPJMESA-N 437.883 5.087 30 20 IKED N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)CC1 610926295 XWDBWKIKLWMJGQ-IBGZPJMESA-N 444.585 5.047 30 20 IKED COc1ccc(OC)c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 613345980 AYJCIYBASKYJPW-HNNXBMFYSA-N 433.316 5.624 30 20 IKED O=C(NCCCSc1ccc(F)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618547828 FEDDHQDKQLSZAN-RYUDHWBXSA-N 432.405 5.080 30 20 IKED C[C@]1(C#N)CCCN(c2nnc(-c3cccc(C(F)(F)F)c3)n2Cc2cccs2)C1 619854984 YJACKUBQJIEKKM-HXUWFJFHSA-N 431.487 5.204 30 20 IKED O=C(Cc1ccccc1OC(F)F)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 622485169 GHMCJCKPEZRLCX-OAHLLOKOSA-N 427.291 5.269 30 20 IKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCO[C@@H](c2ccc(F)cc2F)C1 622527054 OICSGHRTGNMBQO-MRXNPFEDSA-N 439.302 5.216 30 20 IKED O=C(NCC1(c2ccc(F)cc2)CCC1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 623854363 AQFZKAZJGQLIIJ-OKILXGFUSA-N 426.376 5.020 30 20 IKED C=CCN(C(=O)c1ccc(COc2ccc(F)cc2)o1)c1nc(-c2ccccc2)cs1 641900729 PRTMKADLZXNWQS-UHFFFAOYSA-N 434.492 5.954 30 20 IKED CC(C)(C)[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F 675204253 JHKOKVYMVFFRJT-RWSFTLGLSA-N 446.382 5.824 30 20 IKED COc1cncc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c1 676450992 ICWDEFZHVRSRCC-AWEZNQCLSA-N 432.286 5.521 30 20 IKED N#C[C@H](C(=O)c1cccc([C@H]2CCCOC2)c1)c1nc2cc(C(F)(F)F)ccc2s1 678027386 HDBAFMRRFPYJND-DOTOQJQBSA-N 430.451 5.699 30 20 IKED N#C[C@H](C(=O)c1cccc([C@@H]2CCCOC2)c1)c1nc2cc(C(F)(F)F)ccc2s1 678027399 HDBAFMRRFPYJND-NVXWUHKLSA-N 430.451 5.699 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H](c3ccccc3)CC2)cc1 727624133 QTLPMBYTBHRNHP-ATIYNZHBSA-N 437.543 5.077 30 20 IKED Cc1cc(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)c(C)n1-c1ccc(C#N)cc1 728372473 HETSHFSEJIZSEK-UHFFFAOYSA-N 442.302 5.068 30 20 IKED O=C1/C(=C/c2cccnc2Cl)CN(C2CCCCC2)C/C1=C\c1cccnc1Cl 728697411 OZSBCRCAATTXGI-KLCVKJMQSA-N 428.363 5.468 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3cc(-c4ccccc4)nn3-c3ccccc3)CC2)c1 729416058 HHVXJZLYGBMIGR-UHFFFAOYSA-N 448.526 5.095 30 20 IKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(C2CCC2)C1=O)Nc1ccccc1F 730460844 HCJIGACOUUKIDR-JOCHJYFZSA-N 447.535 5.492 30 20 IKED Cn1c(CC(=NOCc2ccc(Cl)c3cccnc23)c2ccccc2)nc2ccccc21 731664872 YWTDGWCILJYZJH-UHFFFAOYSA-N 440.934 5.939 30 20 IKED N#C[C@@H](NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1c(Cl)cccc1Cl 733259466 XLFUMPNVIZKZDM-OAHLLOKOSA-N 439.224 5.193 30 20 IKED N#CC(CCOC(=O)c1ccc2nc(C(F)F)[nH]c2c1)(c1ccccc1)c1ccccc1 733533306 BKHTXARUENYPDD-UHFFFAOYSA-N 431.442 5.557 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)c1 733806259 IHJCGODTXQXOKN-DEOSSOPVSA-N 448.611 5.133 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1 734078860 BTBRVMTZLZBWEU-GOSISDBHSA-N 429.863 5.522 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccncc2)n1)c1ccc(N2CCCCC2)cc1 735977175 YPUQJOSGXMCETF-UHFFFAOYSA-N 440.473 5.384 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 741639632 IDUGVYODAMUYBP-UHFFFAOYSA-N 428.872 5.057 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)C(=O)N1c2ccccc2Sc2ccccc21 744692042 PGDVKOTWZFNATJ-IRXDYDNUSA-N 444.512 5.087 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)cc1 747109650 ZHELZDUDKIVWEQ-KRWDZBQOSA-N 443.450 5.352 30 20 IKED N#Cc1ccc(/C=C(/Cl)c2nc(O)c3c(-c4ccccc4Cl)csc3n2)s1 748998096 JVDHOSPNUPSTDH-VIZOYTHASA-N 430.341 6.387 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cc1C 749580070 RMHKUSHLLZYOAH-UHFFFAOYSA-N 438.535 5.340 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cccc(N2CCOC2=O)c1)c1ccc(C(F)(F)F)cc1 749848356 HFJDQMOLMQACLZ-LJQANCHMSA-N 433.430 5.491 30 20 IKED C=CCC[C@H](NC(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1)c1ccc(C(F)(F)F)cc1 750447949 XXFRFJVZCBVKHZ-SLFFLAALSA-N 436.474 5.603 30 20 IKED COc1cc(CN2CCC[C@H]2C[C@H](O)c2cccs2)ccc1OCc1cccc(C#N)c1 750829155 GJMZXIVTWSYMHH-GOTSBHOMSA-N 448.588 5.295 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1 755049461 RHSPSJCDBSELRF-KRWDZBQOSA-N 425.366 5.521 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2CCC(F)(F)F)ccc1OC 757245064 KXLHFFKUCFVLDD-QGZVFWFLSA-N 435.446 5.193 30 20 IKED CCCC[C@@H](ON=C(C)C)C(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 757986141 QZVOSTFRXUWEDZ-IEBWSBKVSA-N 432.952 5.067 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 762763936 QYVNZZYUJSPQFM-PNJWGLBASA-N 427.589 5.025 30 20 IKED N#Cc1cc(NC(=O)[C@H](Sc2ccccc2F)c2ccccc2)c(Cl)c([N+](=O)[O-])c1 764311171 NZCLHKBRSDNFIE-HXUWFJFHSA-N 441.871 5.731 30 20 IKED O=C(Cc1csc(-c2ccccc2)n1)OCC(F)(F)C(F)(F)C(F)(F)C(F)F 764750212 MTLVSVURBGEOCZ-UHFFFAOYSA-N 433.320 5.067 30 20 IKED CC1(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)CCCC1 764754329 BVNRBCDZZWFERY-UHFFFAOYSA-N 442.240 5.552 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1=S 764987184 FXKLUDSQDCCVME-HSZRJFAPSA-N 444.608 5.718 30 20 IKED C[C@@](O)(CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1cccc(Cl)c1 765775152 NFXWPBWELYOMDY-XMMPIXPASA-N 436.964 5.141 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(Cl)nc3C(F)(F)F)cc2)c1 766593504 ZIIGTHBKHKDFOQ-UHFFFAOYSA-N 431.801 5.457 30 20 IKED COc1cc(C#N)cc(Br)c1OC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 769722364 XGJKLSVGHNFIIX-UHFFFAOYSA-N 440.249 5.011 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H]2CCCOc3cc(Br)ccc32)ccc1OC 772977557 AXDZRHUMGOWMON-IEBWSBKVSA-N 445.357 5.142 30 20 IKED COCCc1nc(C)c([C@@H](C)OC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)s1 773915076 ZAENXTWVZYJDFQ-QGZVFWFLSA-N 436.533 5.417 30 20 IKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(N(C)C)cc1 775540133 JCCXOFHCMFOGAI-IBGZPJMESA-N 428.536 5.280 30 20 IKED C#CCCCCC(=O)Nc1sc(C(=O)Nc2ccc(C)cc2C)c(C)c1C(=O)OCC 776304859 XDPUVJKEHZDLQQ-UHFFFAOYSA-N 440.565 5.234 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)c(C(F)(F)F)c1 776897848 MNSNXWDZFUDKEB-UHFFFAOYSA-N 445.441 5.860 30 20 IKED COc1ccc(CNc2ccccc2O[C@@H](C)C#N)cc1OCc1ccc([N+](=O)[O-])cc1 779995733 XLNKZKARHOYSHM-KRWDZBQOSA-N 433.464 5.085 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1ccccc1CSc1nc2ccccc2o1 780165745 PUWYTVOCCXRYQN-MRXNPFEDSA-N 429.501 5.663 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)Nc3ccc(N4CCCCCCC4)c(F)c3)CCO2)c1 782657190 MQYODZNACRXRMD-DEOSSOPVSA-N 436.531 5.073 30 20 IKED C[C@H](NC(=O)N1CCC[C@H]1C[C@H](O)c1cccs1)c1ccc(-c2cccc(C#N)c2)cc1 782753861 OEKPIQDMXNZMCQ-NWVWQQAFSA-N 445.588 5.645 30 20 IKED Cc1nnc(SCc2c(C(=O)OCC3(C#N)CCCCC3)oc3ccccc23)s1 783125333 BMYKYCMFZCDBSQ-UHFFFAOYSA-N 427.551 5.516 30 20 IKED COc1ccc(-c2csc3ncnc(NN=C(C)c4cnn(C(C)(C)C)c4C)c23)cc1 787154613 ZQKDEDRZTFTGRT-UHFFFAOYSA-N 434.569 5.463 30 20 IKED Cc1cc([C@H](CC(=O)O[C@H](C)c2cccc(C#N)c2)NC(=O)OC(C)(C)C)cc(Cl)n1 788353826 LQFNUVZIWLXJAI-BEFAXECRSA-N 443.931 5.175 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 789459210 OKNOLQJTJGERSE-RUZDIDTESA-N 427.589 5.403 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(C(=O)N(C)C)cc2)ccc1OCc1ccc(F)cc1 792924729 HAFUNUOKPVBCGI-MKMNVTDBSA-N 433.479 5.011 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(COC(=O)C[C@H](CC#N)c2ccccc2)cs1 795981676 DQWSRUGCQDQWBL-SFHVURJKSA-N 437.496 5.098 30 20 IKED Cc1ccccc1-c1cc(C(=O)OCCCC2(C#N)CCOCC2)c2cnn(C(C)C)c2n1 800125611 UGXYBVQYLLKVMB-UHFFFAOYSA-N 446.551 5.245 30 20 IKED COc1cccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)N=C2SCCO[C@@H](C)C#N)c1 801654320 IGGXTZXMNWKOMR-TTXZLZEXSA-N 449.576 5.224 30 20 IKED Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1cc(F)c(C(F)(F)F)cc1F 804348000 UKOWBBAXAWSWIJ-UHFFFAOYSA-N 431.311 5.067 30 20 IKED CC1(C(=O)[C@H](C#N)c2nccc3ccccc23)CCN(c2ccc(Cl)cc2C#N)CC1 805929741 OXNASWDUWCNTGO-OAQYLSRUSA-N 428.923 5.243 30 20 IKED O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)OC1CCOCC1 810062244 UKKQZAFKMDIECE-LBPRGKRZSA-N 439.274 5.233 30 20 IKED CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1ccccc1C(=O)N1CCC(C#N)CC1 813429375 FNAWKPHLOZWRNL-KAGYGMCKSA-N 442.625 5.158 30 20 IKED CC#CCN(C)C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 819245782 OOGFZFLDJSNKEH-UHFFFAOYSA-N 425.604 5.051 30 20 IKED C=CCn1c(SCC(=O)N2Cc3ccccc3[C@H](C)C2)nnc1-c1ccc(Cl)cc1 913412064 BYZBTNYURABRMR-MRXNPFEDSA-N 438.984 5.023 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CSc1ccc(C(C)(C)C)cc1 916901855 BNWUZRPMGLKGIW-KRWDZBQOSA-N 444.984 5.394 30 20 IKED CC(C)c1ccc(OCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916904488 FAUQISPXELIRFS-JOCHJYFZSA-N 428.488 5.329 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 916905046 LJKDVIHFYIEAOR-KRWDZBQOSA-N 435.823 5.002 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(OC3CCCC3)c(OC)c2)cc1 916915450 JNMTVFGFUNLDFS-JOCHJYFZSA-N 434.536 5.320 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)n2)cc1 916973030 SBBOONPYMNIWEM-TZIWHRDSSA-N 444.560 5.239 30 20 IKED CCOc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 920140937 LAKVMJXVFNJBBH-NRFANRHFSA-N 431.517 5.116 30 20 IKED CCOc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920804262 NHIAFKRMPZYFIW-MRXNPFEDSA-N 440.471 5.326 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)cc4F)CCC3)cc2)C1 1785810371 PGNSTWFSYCGDNB-UHFFFAOYSA-N 436.527 5.327 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCc3cccc(C)n3)CCC2)cc1 1785841015 XMVDAPMJPACPND-UHFFFAOYSA-N 433.596 5.449 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)cc3C)CCC2)cc1 1791593622 XZQCEXQILBYRTO-UHFFFAOYSA-N 427.342 5.081 30 20 IKED CCC[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(C#N)c2Cl)C3)CC1 1801812516 NTEGDQIWNKNLSQ-SMWGBGATSA-N 442.003 5.070 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc(C(C)(C)C)oc3C)CC2)C1 1804858510 NOQOLAZYKIAPKO-UHFFFAOYSA-N 442.644 5.723 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cc(C)ccc2C)n[nH]1 1822048991 JXHOCWJOXHNGMF-GMAHTHKFSA-N 434.584 5.030 30 20 IKED CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)CCCCC1 1823686155 PBYUQHWGSZDTBP-RUZDIDTESA-N 449.639 5.081 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccccc2)cc1 10170608 ZRSFGRHWJRMWLC-UHFFFAOYSA-O 439.551 6.207 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2cccc(C)c2)c1 10179241 UXQYYTXSUHNIGC-UHFFFAOYSA-O 444.407 6.257 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(F)c(Cl)c2)c1 10760934 IPBBSVAHOJNTFO-UHFFFAOYSA-O 439.963 5.615 30 20 IKED Cc1ccc(C(C)C)cc1OCC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 14621339 VJTODEAWXDEMOM-UHFFFAOYSA-N 438.578 5.151 30 20 IKED N#CCSc1ccccc1NC(=O)COC(=O)C1(c2cccc(Cl)c2)CCCCC1 22978261 TXHUWFZCUTYLNM-UHFFFAOYSA-N 442.968 5.339 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(\S)Nc2ccc(Cl)c(Cl)c2)c1 23603220 SETXKSIEFXIBGA-UHFFFAOYSA-O 433.384 5.585 30 20 IKED Cc1ccccc1N1C(=O)/C(=C/c2cn(CCC#N)c3ccccc23)c2ccccc2C1=O 35584316 JXYODZCLXSEXOS-JJIBRWJFSA-N 431.495 5.591 30 20 IKED CCCCNC(=O)c1ccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)cc1 58252596 DSMFNVKJJRRGMS-UHFFFAOYSA-N 443.572 5.169 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(Nc3ccc(F)cc3)CC2)cc1 63584273 GLLQJRFDZXUTES-UHFFFAOYSA-N 445.563 5.706 30 20 IKED COc1ccc([C@H](NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c2ccc(F)cc2)cc1 72028715 QHXKZPICGURMOC-XMMPIXPASA-N 449.551 5.024 30 20 IKED COc1ccc2cc([C@H](C)C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)ccc2c1 108502764 QETJEGBQIWPKSR-SFHVURJKSA-N 437.499 5.958 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCc1nn(-c2ccccc2)c2c1CCC2 109704189 VSMBVOFUHHMBNN-UHFFFAOYSA-N 427.577 5.022 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)nnc1-c1ccccc1F 218659915 GQXHKRYJANPYFK-MAUKXSAKSA-N 442.585 5.176 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 302819202 VKOULCNXWRLKMZ-NRFANRHFSA-N 434.561 5.957 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2S[C@H](C)CC#N)c1 303887677 OONYEOZBSODDEC-OAHLLOKOSA-N 429.973 5.971 30 20 IKED Cc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1-n1cncn1 303980401 XGSBJTLEKPBDFK-OAQYLSRUSA-N 427.895 5.137 30 20 IKED Cc1cc(Br)c(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1Cl 432400302 JISZLLIZYLUCIG-UHFFFAOYSA-N 448.748 5.358 30 20 IKED N#Cc1cc(NC(=O)N(C[C@H]2CCOC2)C2CC2)ccc1Oc1ccc(C(F)(F)F)cc1 438556743 UPJWIYHBICBJMN-OAHLLOKOSA-N 445.441 5.402 30 20 IKED N#Cc1cccnc1OC1CCC(NC(=O)c2ccccc2Sc2ccccc2)CC1 438615085 ZQZDFHLLXVOZCA-UHFFFAOYSA-N 429.545 5.224 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@H](COCc3ccccc3)C2)cc1F 438669049 HEJJKZMFGACLGE-HXUWFJFHSA-N 445.494 5.560 30 20 IKED CCCc1c(NC2CCN(C(=O)c3ccccc3Cl)CC2)cnn1-c1cccc(C#N)c1 439057738 ROXPTOAWSYGVKB-UHFFFAOYSA-N 447.970 5.067 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccccc1SCC(N)=O)c1ccc(C(F)(F)F)cc1 442218176 QOYUYDYYAVNGJP-MRXNPFEDSA-N 437.487 5.112 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC=C(c2cccc3ccccc23)C1 442370880 PVUDWOMJWUQWKG-GOSISDBHSA-N 441.556 5.098 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3CC(=O)c3cccs3)cc2)cc1 443673276 GRHRYRBWNNVUBE-FQEVSTJZSA-N 430.529 5.484 30 20 IKED N#CCCCn1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c2ccccc21 447520198 ABOHALFFDKEBLV-MRXNPFEDSA-N 446.482 5.837 30 20 IKED COCc1c(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)sc2cccc(F)c12 460474382 WRCCNESIJWZUFI-UHFFFAOYSA-N 426.557 5.511 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@](CO)(Cc4ccccc4)C3)cc2)c1 463735501 FNPGQTYDWFZBEZ-HHHXNRCGSA-N 441.531 5.200 30 20 IKED CCOCCOCc1cccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1C 465342859 KKMBZMKNQGHOKT-UHFFFAOYSA-N 430.504 5.464 30 20 IKED CC(C)N1[C@H]2CC[C@H]1CN(C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)CC2 467610920 PGSVYSNILZOTHZ-FUDKSRODSA-N 436.987 5.474 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cc(Cl)ccc1OC(F)F 467704542 KULPRHYDEDQVJJ-GFCCVEGCSA-N 425.888 5.515 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1ccccc1O[C@@H]1CCOC1 470779324 MTILDDMUCGPWIJ-OAQYLSRUSA-N 429.476 5.471 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 473788829 LZPDNACQDYNGQD-UHFFFAOYSA-N 441.466 5.509 30 20 IKED C=C(C)[C@H](NC(=O)N(C)Cc1ccc(OC)c(OC(F)F)c1)c1ccc(F)c(F)c1 477730718 IACBLWOWCORMSL-IBGZPJMESA-N 426.410 5.034 30 20 IKED COC(=O)Cc1cccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 478228096 FOQHQOWMFRALFG-OAQYLSRUSA-N 433.895 5.355 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 478271906 HIICKCOCHAVHOO-VIFPVBQESA-N 447.345 5.951 30 20 IKED C[C@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@H](C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 478901670 RGYYGIWYURETAH-ROUUACIJSA-N 430.552 5.138 30 20 IKED C=CCn1c(SC[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)nnc1-c1ccccc1C 480419133 QXTQIEGDLZDHLX-XLIONFOSSA-N 444.000 5.324 30 20 IKED C[C@@H](CC#N)N(C)C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482343289 HGAYNMNLJUMGOO-QPUJVOFHSA-N 435.290 5.271 30 20 IKED CCc1c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cnn1-c1ccccc1C 482715097 JSFUUZZIGIJNQM-UHFFFAOYSA-N 426.476 5.039 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1nccc2ccccc12 483235450 LZXBGAGNAATWQD-KRWDZBQOSA-N 440.812 5.583 30 20 IKED Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(C)C 483280249 CNGVAKNJXIIUNW-DEOSSOPVSA-N 427.504 5.111 30 20 IKED CCc1c(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cnn1-c1ccccc1Cl 485353131 FKHHVTGEBNHKIN-XMSQKQJNSA-N 433.943 5.392 30 20 IKED C=CCSc1ccccc1C(=O)NCc1ccccc1-c1ccc(Cn2cncn2)cc1 486489224 QJFLJMLLQWKOKI-UHFFFAOYSA-N 440.572 5.202 30 20 IKED Cc1cc(C)c2c(c1)CN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)CC2 486547462 PRXIFPAWZZRFDM-UHFFFAOYSA-N 425.532 5.539 30 20 IKED C=CCN(C(=O)c1ccc(Cn2nc(C)cc2C)cc1)c1nc(-c2ccccc2)cs1 488387169 UBGYYKPDUUZVLQ-UHFFFAOYSA-N 428.561 5.505 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC(C(F)F)CC3)s2)c(C(F)(F)F)c1 496326388 KVXCMIUGOIQXLV-UHFFFAOYSA-N 444.429 5.133 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2coc(-c3ccc(Br)cc3F)n2)n1 498034264 XPMXCUWINFGATJ-GFCCVEGCSA-N 434.290 5.313 30 20 IKED Cc1onc(CC(=O)Nc2cc(Br)ccc2Oc2ccc(Cl)cc2)c1C#N 500113628 PJBREUJFUFKERE-UHFFFAOYSA-N 446.688 5.244 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 503869203 FMQKPZXFOAPHNX-UHFFFAOYSA-N 430.939 5.003 30 20 IKED COCCSc1ccc([C@@H](C)NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 504748853 DNXFVXIHGKOXPW-GOSISDBHSA-N 432.545 5.580 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)c1 505504550 AORALILUWBKZHK-QGZVFWFLSA-N 438.742 5.626 30 20 IKED O=C(CCc1ccc(OC(F)(F)F)cc1)Nc1ccc(F)cc1OCC(F)(F)F 505551164 SBWZUMBZPPIQKL-UHFFFAOYSA-N 425.300 5.237 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3coc(-c4cccs4)n3)c2)cc1 509906009 UKIDQTVXFLECDY-UHFFFAOYSA-N 444.516 5.370 30 20 IKED CC[C@H]1c2ccsc2CCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510223331 ODFHWHFMIDGXLD-INIZCTEOSA-N 441.607 5.305 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@@H]3CCc3ccccc3)s2)cc1 510234603 CKBQHBNEQAKKNN-HXUWFJFHSA-N 449.605 5.331 30 20 IKED C=CCN(C(=O)c1cccc(OCc2ccccc2C#N)c1)c1nc2c(s1)CCCC2 512595186 KUGHXTRUHPCDSI-UHFFFAOYSA-N 429.545 5.305 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C)Sc1nc2c(c(-c3ccco3)c1C#N)CCC2 512768022 XSOHGPRVUQZVOV-OAHLLOKOSA-N 433.533 5.220 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c(C)cc(=O)n(-c2ccccc2)c1C 512863070 ZDPQKSJBHRJIMW-UHFFFAOYSA-N 449.510 5.679 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)c1 513302671 XLTCHKNBRWDCDO-JOCHJYFZSA-N 446.478 5.086 30 20 IKED Cc1nc(-c2ncccn2)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 515585208 GNNJRDXNIKAPPG-AWEZNQCLSA-N 437.937 5.176 30 20 IKED Cc1ccc(S(=O)(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(Cl)c1 515630056 RXVBAZJXFIUQJQ-UHFFFAOYSA-N 426.925 5.094 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)n1C1CCCCC1 516270059 LPSABSQUQOFJOJ-QFIPXVFZSA-N 428.561 6.095 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1 516889806 RKGSOMDRYANKNP-GOSISDBHSA-N 442.606 5.054 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1cccc(OCc2cccc(F)c2)c1)c1ccccc1 517595629 DIBNBNAKVNPXEL-UHFFFAOYSA-N 445.494 5.070 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 520169289 IOMFTJALTMTRRZ-UHFFFAOYSA-N 432.549 5.562 30 20 IKED COc1ccc(Cc2noc(-c3ccc(Oc4cccc(F)c4C#N)cc3)n2)cc1OC 521049485 FKTWLLROOLDFBY-UHFFFAOYSA-N 431.423 5.148 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)NC(=O)CCS2 521143716 QCFSTXSCJPSZSM-UHFFFAOYSA-N 445.519 5.287 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N(CCOC)[C@@H](C)c1cccc(C(F)(F)F)c1 521841049 QVTVOZIJPYATCZ-HNNXBMFYSA-N 435.446 5.217 30 20 IKED N#CCCn1ccc(NC(=O)[C@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)n1 522726288 UJFFHDWDPWQRJP-LJQANCHMSA-N 431.348 5.576 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1 523879444 KZPCGGQRRVRIEM-UHFFFAOYSA-N 431.879 5.605 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)Cc1cccc2cccnc12 524015779 QUAZPYYCCKAVQJ-UHFFFAOYSA-N 445.519 5.091 30 20 IKED Cc1nc(-c2ccccc2)sc1CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 524305056 XOIIPDFFKZTSMJ-UHFFFAOYSA-N 446.454 5.253 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)c2)cc1 524594597 QRXHTZVYVAVPTJ-OAQYLSRUSA-N 449.919 5.446 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(C(F)(F)F)cc1Cl 537094809 XGPSCDYDKRFTOH-UHFFFAOYSA-N 431.801 5.979 30 20 IKED FC(F)(F)c1cc([C@H](NCc2nnc(C3CC3)o2)C(F)(F)F)cc(C(F)(F)F)c1 541195404 POTADORUAFFLIO-LBPRGKRZSA-N 433.274 5.378 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N(Cc2ccccc2)Cc2ccco2)n1 542030292 UMYFXNVKXDEVHF-UHFFFAOYSA-N 431.883 5.225 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cnn(CCC(F)(F)F)c1 544086177 YBIPIDRSLNCEMZ-UHFFFAOYSA-N 430.405 5.002 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 544422795 IFNYJVVARZSRLA-AWEZNQCLSA-N 435.411 5.149 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3scnc3C3CCCC3)s2)cc1 546045226 PHCPARZIJVSGFI-UHFFFAOYSA-N 427.580 5.068 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 552684282 GIJFJPUYVCCVLO-UHFFFAOYSA-N 449.551 5.050 30 20 IKED N#CCCCOc1cccnc1NC(=O)COc1ccc(Cl)cc1C1CCCCC1 555538148 UUEMUOMCJLYZSJ-UHFFFAOYSA-N 427.932 5.483 30 20 IKED COc1ccc(CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@H](C)C2CC2)cc1 556483666 YMLYXVLTKDXLCI-GOSISDBHSA-N 430.504 5.180 30 20 IKED Cc1cnc(CNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)s1 563856524 CMJOIFMIZJMWLG-UHFFFAOYSA-N 432.427 5.456 30 20 IKED C[C@H](Oc1ccccc1NC(=O)c1ccc(COc2ccccc2C#N)o1)C(F)(F)F 566581469 LKJRPIYIPXZNFB-AWEZNQCLSA-N 430.382 5.312 30 20 IKED C=CCn1c(-c2ncccc2C)nnc1N1CCC[C@@H]1c1cc(F)cc(Br)c1 574961507 DLUNGLWRMIYDIS-GOSISDBHSA-N 442.336 5.078 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1csc([C@@H](C)OCC)n1 580702760 VFGXALDKZIFZPB-QGZVFWFLSA-N 448.596 5.260 30 20 IKED C=CCn1c(Sc2nc(-c3cc(Cl)cc(Cl)c3)no2)nnc1-c1cccnc1 584550769 FKTZIVVJVIBCQC-UHFFFAOYSA-N 431.308 5.034 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)cn2)c1 603960193 FERNWDJCZVWKAS-UHFFFAOYSA-N 436.427 5.042 30 20 IKED O=C(N[C@H]1C[C@H]1c1c(F)cccc1Cl)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 607184884 DLBZBJYVAOIGOM-SLVJWFQDSA-N 446.794 5.544 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 608917883 YODAWJBGTZRMAH-VWLOTQADSA-N 436.559 5.792 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NC[C@@H](c3cccs3)N3CCCC3)c2)cc1 609208860 NMYHRTMEIKQKPW-QFIPXVFZSA-N 432.549 5.371 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)cc1 609928953 NCEXAAWSZRDSJD-YLJYHZDGSA-N 445.494 5.908 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCc2cc3ccccc3o2)cc1 610093486 HYEGRGDGCUVKIF-UHFFFAOYSA-N 425.488 5.442 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3OC(F)(F)F)n2)cc1 610150801 UBJXFUDHCKLPFA-HZPDHXFCSA-N 429.423 5.323 30 20 IKED N#Cc1ccc(-c2nnc(CSc3ncnc4scc(-c5ccc(F)cc5)c34)o2)cc1 610219298 GKWMAUMUTVPJSV-UHFFFAOYSA-N 445.504 5.711 30 20 IKED N#C[C@H](NC(=O)c1sc(-c2ccccc2)nc1C(F)F)c1cccc(C(F)(F)F)c1 611185529 BSBPVTAIXQWEDC-AWEZNQCLSA-N 437.393 5.761 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nnc(/C=C/c2ccco2)s1 611218029 NLWXXEGRSSGKRU-VAWYXSNFSA-N 430.514 5.577 30 20 IKED C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 611556558 DWSQQYZHIHREJD-RHSMWYFYSA-N 430.430 5.005 30 20 IKED COc1cccc([C@H]2C[C@H](C)CN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1 612298632 CJUIGKOEWIEDAY-GAJHUEQPSA-N 428.492 5.369 30 20 IKED N#C[C@H](C(=O)c1ccc(N2CCCCCC2)nc1)c1nc2cc(C(F)(F)F)ccc2s1 613403837 GNPVBTKQUGIEBP-MRXNPFEDSA-N 444.482 5.581 30 20 IKED N#Cc1cc(Cl)c(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)c(Cl)c1 619423094 TWQYIFZJPSBSSH-ZUZCIYMTSA-N 428.088 5.053 30 20 IKED O=C(C[C@@H](c1ccccc1)C(F)(F)F)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 622585214 UWMWKVMOXHYCII-HKUYNNGSSA-N 433.367 5.839 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)c(C)c2c1 642557647 PBXGOJHGQBTAAK-UHFFFAOYSA-N 444.409 5.328 30 20 IKED C=CCN(C(=O)c1cnn(Cc2ccccc2Cl)c1)c1nc(-c2ccccc2)cs1 680952221 OUNQVFALVQEJTE-UHFFFAOYSA-N 434.952 5.541 30 20 IKED O=C(N[C@H](c1cc(F)ccc1F)C(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 683961307 MAAKHKPVZZUMKH-YVZVNANGSA-N 440.281 5.043 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)C(=O)c1ccc(C(C)(C)C)cc1 684255112 JLDKAGPHGRBLAL-LJQANCHMSA-N 440.657 5.154 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=S)NCCc2ccc(Cl)cc2Cl)cc1 726465388 WZKPFELTDYDXKZ-UHFFFAOYSA-N 446.325 5.347 30 20 IKED CC(C)Oc1ccc(N2C(=O)/C(=C\c3cccc(OCCCC#N)c3)SC2=S)cc1 726801269 FWHVOZXENIRENL-RCCKNPSSSA-N 438.574 5.562 30 20 IKED N#Cc1cn(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c2ccc(Cl)cc2c1=O 728704533 HWMRZJYSWRNROR-UHFFFAOYSA-N 441.878 5.581 30 20 IKED Cc1ccc(-n2c(-c3ccncc3)nn(CN(CCC#N)CCC(C)C)c2=S)cc1C 728901318 DANRQIDJEGIZAH-UHFFFAOYSA-N 434.613 5.301 30 20 IKED Cc1csc(Nc2cccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)c2)n1 729336383 ICPKSGBPPCADLS-UHFFFAOYSA-N 430.489 5.491 30 20 IKED N#C[C@@H](C(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1)c1ccc2ccccc2n1 730071539 PCIXLFUQJDTPDC-KBMIEXCESA-N 430.479 6.223 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(OCc2ccccc2)cc1)[n+]1ccc(C)cc1 730440730 XHQSBBWIJUAMKM-UHFFFAOYSA-O 431.581 5.238 30 20 IKED COc1cc(C)c(C(=O)/C=C\c2ccc(OCc3cc(C)c(C(=O)O)o3)cc2)cc1OC 731317542 AIJYLNLKZXTRCD-YFHOEESVSA-N 436.460 5.087 30 20 IKED Cc1cccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1NC(=O)c1ccncc1 731345272 JZHIKTUROOXJAE-UHFFFAOYSA-N 448.482 5.559 30 20 IKED Cc1cc(Br)ccc1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 732418951 WBFRJWCJWTYCBJ-JOCHJYFZSA-N 434.337 5.735 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cccc(C3SCCS3)c2)ccc1OC 733616682 FFLFYGJRANWZAZ-GOSISDBHSA-N 443.594 5.176 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2Oc2ccc(C)cc2)ccc1OC 733618200 VFSJVIFKAJEJLD-FQEVSTJZSA-N 445.519 5.799 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)c1 733786334 FQCTVUVQWIXUPR-NRSPTQNISA-N 431.561 5.343 30 20 IKED COc1cc(COC(=O)c2cc(F)c(F)c(F)c2F)ccc1OCc1cccc(C#N)c1 735133827 JNQKIOBKPQLVTC-UHFFFAOYSA-N 445.368 5.059 30 20 IKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1csc(Cc2ccccc2F)n1 735593699 NGLYFBCHXDDVAZ-OAHLLOKOSA-N 448.306 5.141 30 20 IKED O=C(/C=C/c1ncc(-c2cccc(Br)c2)[nH]1)c1c(Cl)nc2sccn12 741844513 PXTYHJYSGLHQNA-SNAWJCMRSA-N 433.718 5.098 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1c[nH]c(-c2ccccc2)n1)C(=O)c1ccccc1 742432541 XQQUQYMSWHGJRH-XIEYBQDHSA-N 449.554 6.107 30 20 IKED Cc1nn(C)c(Cl)c1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 742785450 WIMHSHMWKMPZSF-UHFFFAOYSA-N 434.805 5.317 30 20 IKED CN(C[C@@H]1CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(=O)OC(C)(C)C 743093223 PELCNTVNIIWTGM-XZOQPEGZSA-N 448.567 5.205 30 20 IKED CC(C)n1cc(Br)cc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 744030264 BXLFROSZFOHJSJ-LBPRGKRZSA-N 443.128 5.099 30 20 IKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)O[C@@H](C)C(=O)Nc1ccccc1C#N 744677735 KLIBAVIRULFKJZ-LBPRGKRZSA-N 444.274 5.013 30 20 IKED Cc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1N1CCOC1=O 746350403 YMGSQPZSYNMAOZ-UHFFFAOYSA-N 427.460 5.062 30 20 IKED Cc1nn(Cc2ccccc2)c(C)c1C=NO[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 748100684 YRZPPHFOYAENAA-KRWDZBQOSA-N 435.915 5.363 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1C#N 752196305 PHLMDLVHRDRYPH-UHFFFAOYSA-N 442.500 5.402 30 20 IKED Cc1ccc(C(=O)CC(C)(C)CC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 760184891 WOHHNXDKPLOJOC-KRWDZBQOSA-N 445.346 5.639 30 20 IKED Cc1nccn1-c1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cn1 761332433 UCVUKMHVVXJQPS-UHFFFAOYSA-N 429.867 5.145 30 20 IKED C=CCn1c(-c2ccccc2C)nn(CN(C)Cc2ccc(Br)o2)c1=S 764919220 HTCAUQBRVANMSZ-UHFFFAOYSA-N 433.375 5.021 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@H]2CCCc2ccccc2)ccc1OC 769108285 HQWFTYNJPHSFNE-DHIUTWEWSA-N 435.568 5.073 30 20 IKED COc1ccccc1[C@@H](OC(=O)c1cn(CCCC#N)c2ccccc12)c1ccccn1 774154697 GEVNAQFPJVCYQV-RUZDIDTESA-N 425.488 5.295 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN(CC(C)C)[C@H]2CCCc3cccnc32)c1=S 774614668 UUQOMJINQZAEBI-NRFANRHFSA-N 434.613 5.050 30 20 IKED C[C@@H](N[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1cccc(C#N)c1 775335219 GCBMGIKUBUZPFK-QRQCRPRQSA-N 434.883 5.150 30 20 IKED CC(=O)N1C/C(=C/c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C(=O)c2ccccc2C1 778520339 URDFSKYMKDYQGV-UNOMPAQXSA-N 446.434 5.155 30 20 IKED Cn1cc(CNc2ccccc2SC[C@@H]2CC2(Cl)Cl)c(-c2ccc(C#N)cc2)n1 779044086 GWBFBALCZGBOTR-SFHVURJKSA-N 443.403 5.857 30 20 IKED CC(=O)N(c1nc(/C=C2/COc3ccc(Cl)cc3C2=O)cs1)c1ccc(F)cc1F 783714487 KJUMKJHVIQENHA-SDQBBNPISA-N 446.862 5.418 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)C34CC(C(F)(F)F)(C3)C4)s2)c(C(F)(F)F)c1 786795331 JGTMKJVHOIKTAD-UHFFFAOYSA-N 445.388 5.295 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccccc2)ns1)c1ccc(Cl)cc1Cl 787052078 XKCXVITZLKNDRZ-LRDDRELGSA-N 444.343 5.317 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1CCC1 787106394 BDLMGKKQOBYFPG-UHFFFAOYSA-N 432.176 5.069 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C\c1cn(CCC#N)nc1-c1ccncc1 788353980 CURYIDZRCWWDMI-YVMONPNESA-N 443.507 5.326 30 20 IKED C=CC[C@@H](OC(=O)[C@H]1CCS(=O)(=O)c2ccccc21)c1ccc(Cl)c(Cl)c1 791055403 VJOKNWWIFYECJO-MAUKXSAKSA-N 425.333 5.115 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)[C@@H](C#N)c1nccc2ccccc12)c1ccccc1 792095703 XHDIBVVQBVNOQJ-YADHBBJMSA-N 429.520 5.457 30 20 IKED N#C[C@@H](C(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)c1cnc2ccccc2n1 792105371 VZIXFTIQJZFCJF-OSPHWJPCSA-N 431.854 5.419 30 20 IKED N#Cc1cc(Cl)c(C(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)c(Cl)c1 793197140 NWJQJSACTPIHFH-UHFFFAOYSA-N 439.298 5.152 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 797642256 ATQLGYJXORYDLG-FZKQIMNGSA-N 432.293 5.248 30 20 IKED COc1ccc2c(CC(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)coc2c1 915104873 VRXXBJQXROBXQP-OAHLLOKOSA-N 430.407 5.489 30 20 IKED C=CCc1cc(C(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 915299006 ICBNFYLIVMDCEK-GOSISDBHSA-N 444.531 5.176 30 20 IKED Cc1cccc(NC(=O)CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1C 915352898 KJQDCHQQYGKIPR-QHCPKHFHSA-N 426.520 5.061 30 20 IKED Sc1nnc(-c2ccccc2Cl)n1N=Cc1c[nH]c2ccc(Br)cc12 916276535 AUFMOWQZSJKWML-UHFFFAOYSA-N 432.734 5.013 30 20 IKED Sc1nnc(-c2ccccc2)n1N=Cc1cn(-c2ccccc2)nc1-c1cccs1 916308012 YCAPTOXNMULKQV-UHFFFAOYSA-N 428.546 5.030 30 20 IKED CCCOc1ccc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)cc1OCC 916310737 GYGFWJBTIXNVSG-UHFFFAOYSA-N 447.560 5.503 30 20 IKED CC(=NNc1nc2ccccc2s1)c1ccc(OCC(=O)Nc2ccccc2C)cc1 916622017 YDLYZFCDKBGAQI-UHFFFAOYSA-N 430.533 5.458 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CSCc1coc(-c2ccccc2)n1 916905208 BMISRJDCHBEOTK-NRFANRHFSA-N 447.560 5.047 30 20 IKED O=C(/C=C\c1cnc(-c2ccccc2)nc1)c1ccc(Br)cc1Br 917145552 SNLUJZLGAFPUOD-TWGQIWQCSA-N 444.126 5.565 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cccc(C(F)(F)F)c2)cs1 917562281 YTYJDJJKSFQCGB-YFHOEESVSA-N 434.414 5.882 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1ccccc1-c1ccccc1C#N 921182604 JVOZMMOWPNZCPD-LJQANCHMSA-N 426.516 5.841 30 20 IKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)CCc4ccc(Cl)cc4Cl)CC3)C2)C1 1804785708 PCFBFJUZTCBZEZ-UHFFFAOYSA-N 449.422 5.123 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](C)Cc3ccc(F)cc3)CC2)C1 1805458547 OPSDYXHZHPWZNM-NRFANRHFSA-N 440.603 5.004 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)CCCCC)[C@H]1c1cccnc1 1812695153 FLOQXBAJLIPLHB-MZURWIMNSA-N 425.617 5.072 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nc(C(C)C)cs2)[nH]n1 1814827432 PIDLWDWZTMTSDF-IBGZPJMESA-N 441.601 5.064 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3scnc3c2)[nH]n1 1814829005 MHXBTXOKPCICCT-FQEVSTJZSA-N 449.580 5.094 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(C)ccc3[nH]2)[nH]n1 1814829350 MISLIHRNONJPSU-QHCPKHFHSA-N 445.567 5.274 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@H]1CCc2nc(NC(=O)c3oc4ccccc4c3C)sc2C1 1818212946 UQQCEVWNHPIIJP-IRXDYDNUSA-N 449.576 5.192 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccccc2F)CC1 1828830034 PPYAISZPNGHBKJ-NOZRDPDXSA-N 440.603 5.146 30 20 IKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)cc2C)CC1)C(F)(F)F 1831448617 IMJVZIDOTPUART-LJQANCHMSA-N 442.909 5.000 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2cc(C)cc(C)c2)cc1 10172554 YDFRQNZHJUUHCY-UHFFFAOYSA-O 445.652 6.502 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)n1 10399285 GDLVHFRGBXWWLE-UHFFFAOYSA-N 448.297 5.338 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2c(C)cccc2C)cc1 11153668 NYTJLHCOLIEBLM-UHFFFAOYSA-O 443.636 6.083 30 20 IKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccccc2)c(Cl)c1 22732762 SUWXFBGREYAAET-UHFFFAOYSA-O 431.915 5.573 30 20 IKED C=CCN(C(=O)Cc1csc2nc(-c3ccccc3)cn12)c1nc2c(s1)CCCC2 105313827 VBTALZHTRZDYFB-UHFFFAOYSA-N 434.590 5.160 30 20 IKED C=CCn1c(-c2sc(NC(=O)c3sc4cccc(F)c4c3C)nc2C)n[nH]c1=S 111191725 GHICLUTXQSLGQV-UHFFFAOYSA-N 445.570 5.473 30 20 IKED C=CCOc1ccc(CN[C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)cc1 237474342 UTFLTCOMTHLWMS-XMMPIXPASA-N 441.980 5.188 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 303253644 CRKUOYBNCSLVCT-CYBMUJFWSA-N 431.348 5.683 30 20 IKED O=C(c1cc2c(F)cc(Br)cc2[nH]1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 303698585 RCQFMKJXSUIVBD-UHFFFAOYSA-N 447.148 5.026 30 20 IKED N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1cccc(Cl)c1Cl 303858008 LXCJHBCBLDOYQB-NFAWXSAZSA-N 429.225 5.377 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cc2ccccc2s1 410391601 UYCXPABJEBOVIZ-INIZCTEOSA-N 441.512 5.381 30 20 IKED C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)Nc1ccccc1SCCC#N 426280977 ADHQPTMBGIDHOC-CQSZACIVSA-N 427.982 6.013 30 20 IKED CCc1cccc(CC)c1NC(=O)Cc1noc(-c2sc3ccc(C#N)cc3c2C)n1 426441782 GVWUKXSMQGHRJB-UHFFFAOYSA-N 430.533 5.437 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@@H]3CC(=O)c3cccs3)c2)c1 432288750 HPBCALSPONQRID-OAQYLSRUSA-N 430.529 5.076 30 20 IKED C=CCn1c(SCc2nc(-c3ccccc3)cs2)nnc1[C@@H]1COc2ccccc2O1 435687189 ZPWCARYAUPOOAR-FQEVSTJZSA-N 448.573 5.392 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 437982037 YIDXGUGDHNBXRE-QYBDOPJKSA-N 443.522 6.200 30 20 IKED COc1ccccc1-c1ccc([C@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 438081229 RONNACQSACALMG-MOPGFXCFSA-N 445.588 6.497 30 20 IKED N#Cc1ccc(CSc2nnc(SCc3ccc(C#N)cc3Cl)s2)c(Cl)c1 438816025 VIELRQDLVXGWDO-UHFFFAOYSA-N 449.413 6.173 30 20 IKED C=CCn1c(SCc2nc(CCc3ccccc3)no2)nnc1-c1ccc(Cl)cc1 439277369 WJQVRFJLDIYRRR-UHFFFAOYSA-N 437.956 5.245 30 20 IKED C[C@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)Nc1sc2c(c1C#N)CCC2 439647931 NGXGVVXHZFORJS-AWEZNQCLSA-N 446.507 5.351 30 20 IKED CCCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H](C)c1ccccc1Br 441220572 AVEUGEXZPBYROU-OAHLLOKOSA-N 425.330 5.344 30 20 IKED CCN([C@@H](c1ccc(Cl)cc1)c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1C#N 443342932 FJFDRFWWBPIFHH-NRFANRHFSA-N 446.359 5.060 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCc1cccc(Br)c1OC(F)F 443459096 CENHQZOTDOKKHX-GFCCVEGCSA-N 427.314 6.057 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CN2CCCC(C)(C)[C@H]2C#N)cs1 444731278 URZAXLVNJMBPET-GOSISDBHSA-N 436.503 5.361 30 20 IKED C=CCN(C(=O)c1cc(C(=O)N(CC=C)c2ccccc2)cc([N+](=O)[O-])c1)c1ccccc1 460770325 RVACIZZARYRHDY-UHFFFAOYSA-N 441.487 5.260 30 20 IKED C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@](C)(OC)CC1 460961593 TUMUGBNDUZLLIC-OAQYLSRUSA-N 439.387 5.135 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1nc2ccccc2cc1Cl 463949487 JNYRVKWECSJLOM-UHFFFAOYSA-N 435.858 6.165 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc1NC(=O)c1ccccc1F 464405821 LSQTUHOWNCKZSK-QGZVFWFLSA-N 441.384 5.290 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1cc(C(F)(F)F)ccn1 464420303 MUVBBTQSLKAMJG-GFCCVEGCSA-N 442.249 6.021 30 20 IKED CC(C)c1ccc2c(c1)[C@@H](NC(=O)Nc1ccc3c(c1)CCC(=O)N3CCCC#N)CC2 470535891 IMVOWHFYTGGGGU-QHCPKHFHSA-N 430.552 5.202 30 20 IKED COc1cccc2c1CC[C@@H]2NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 470791788 IXVLIDLRDUAIDW-DEOSSOPVSA-N 427.504 5.149 30 20 IKED Cc1nc2c(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)cccc2o1 470831889 NXBXNZLKRHBGCY-UHFFFAOYSA-N 442.422 5.326 30 20 IKED CCOc1c(Br)cc(Cl)cc1NCc1nnc(-c2cccc(C#N)c2)o1 471623447 ANOVBIZYRHODLQ-UHFFFAOYSA-N 433.693 5.035 30 20 IKED Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)c1ccc(COc2ccccc2C#N)o1 472844692 CHPRYJTYFLUCPO-SFHVURJKSA-N 426.476 5.097 30 20 IKED Cc1ccc(NC(=O)[C@H](C)SCCCOc2cccc(C#N)c2)c(Br)c1 477385023 UVYHIFSUWUVHKO-HNNXBMFYSA-N 433.371 5.159 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC(c3nc4ccccc4s3)C2)cc1 477746440 OIVHRHRLDOVJTN-UHFFFAOYSA-N 429.476 5.339 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCc1coc(-c2ccc(F)c(F)c2)n1 481339200 DFSSPBQFIVPWDR-UHFFFAOYSA-N 440.475 5.269 30 20 IKED COCCCCNC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482335911 ULWMDFVTVIJWSQ-GFCCVEGCSA-N 440.306 5.053 30 20 IKED Cc1c([C@@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C(C)C)oc2ccccc12 483220996 DLXYJCCITNWTHA-AOMKIAJQSA-N 449.576 5.588 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc[nH]c3C3CCC3)s2)c(C(F)(F)F)c1 485807047 ZJJLXHLBZUBSSZ-UHFFFAOYSA-N 430.455 5.472 30 20 IKED N#CCCC[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1 487502607 OJMOAHYTILCKKX-HXUWFJFHSA-N 442.346 6.132 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 494050608 RALIBQLVXVHWMZ-ODOSVJCGSA-N 431.565 5.185 30 20 IKED CC(C)Oc1nc(C(F)(F)F)ccc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 495203374 QZJSQYZRDJTODP-LBPRGKRZSA-N 438.356 5.122 30 20 IKED C=CCc1cc(CNC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc(OC)c1OC 497329106 MYBUGBWFZQPSKU-UHFFFAOYSA-N 442.968 5.068 30 20 IKED CCOc1ccc(-c2nc(CC(=O)Nc3sc4c(c3C#N)CCCCC4)cs2)cc1 498294030 YQRDFNNWFFLSCR-UHFFFAOYSA-N 437.590 5.592 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)c(C(F)(F)F)c1 499552258 HPYAEFSUFKSRBS-QMMMGPOBSA-N 425.369 6.405 30 20 IKED Cc1ccccc1-n1ncc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1C 501463807 VZUMSNFXNQQPLZ-UHFFFAOYSA-N 436.515 5.387 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2ccc(F)cc2F)C2CC2)cc1 503372352 MEQOGOSRZFIFLQ-UHFFFAOYSA-N 449.457 5.834 30 20 IKED C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1ccc(Oc2ccccc2)c(F)c1 504075578 LIFMXPHIHRVTJW-GYCJOSAFSA-N 426.488 5.057 30 20 IKED CCCOc1c(Cl)cc(C(=O)Nc2nc(C)c(SCC#N)s2)cc1OCC 504800104 DZRFRSFWFXKUFM-UHFFFAOYSA-N 425.963 5.160 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@H](C#N)c4ccccc4Cl)cc3)o2)c1 505656458 DNICZSQTIOZDSD-OAQYLSRUSA-N 428.879 5.360 30 20 IKED C[C@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 507765970 IUQHBUASTAVYRP-INIZCTEOSA-N 447.485 5.244 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)cc1 508129800 CPBPVSLRMTVFOF-LEWJYISDSA-N 428.454 5.262 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)N1[C@H](C)CCC[C@H]1C 508301530 AFHGMUJVMOEFET-ZACQAIPSSA-N 439.943 5.021 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(OCC2CC2)CC1 508841375 QJZUAGXOJCZBGO-IBGZPJMESA-N 432.568 5.153 30 20 IKED CCCOCc1ccccc1CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511528016 BLOHJTFTFJBEJP-UHFFFAOYSA-N 442.519 5.059 30 20 IKED CCN(CC)C(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 512003805 APWNRGHFDUMAME-SFHVURJKSA-N 437.609 5.505 30 20 IKED Cc1nc(C(F)(F)F)ccc1NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F 512392643 LMWKVESMEDAPNP-UHFFFAOYSA-N 432.299 5.005 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cccc(F)c2Sc2ccccc2)n1 512723939 AGLWNLUMPSDILY-HNNXBMFYSA-N 426.494 5.100 30 20 IKED N#CCc1cccc(C(=O)NCc2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)c1 515443441 ZZJBAICOSPDFCQ-UHFFFAOYSA-N 435.483 5.662 30 20 IKED N#C[C@H](C(=O)c1ccc(SCc2ccccc2)cc1)c1nc2ccccc2n1C(F)F 515540158 GQOFOIIVWJIRKO-LJQANCHMSA-N 433.483 6.214 30 20 IKED CCCCCN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H](C)CCC 516821024 GJEPSXCUOQSBFE-SFHVURJKSA-N 426.561 5.230 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 517506144 CLMJCLQQYCBUHZ-GOSISDBHSA-N 446.576 5.023 30 20 IKED Cn1ccnc1[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccc(Cl)cc1 518769636 LJMYSJCTDWFWOK-RUZDIDTESA-N 442.950 5.403 30 20 IKED CCCC(=O)Nc1nc2ccc(NC(=O)CCCCOc3cccc(C#N)c3)cc2s1 520339139 CJSHJGKDLLFIPY-UHFFFAOYSA-N 436.537 5.094 30 20 IKED COc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1OCc1cscn1 520824852 COQVWENRRSLHAF-OAHLLOKOSA-N 439.562 5.235 30 20 IKED N#CCSc1ccccc1NC(=O)CN[C@H](c1ccccc1)c1ccc2ccccc2c1 521351054 OXXYVJRDCDVAPE-HHHXNRCGSA-N 437.568 5.773 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1 521617400 WIPHXDXGNZGIAL-UHFFFAOYSA-N 439.490 5.991 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)NCC1(c2ccccc2)CCCCCC1 521742623 QGURFAKVTCVBPP-UHFFFAOYSA-N 435.593 5.039 30 20 IKED COC(=O)c1ccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 521857428 IOFCUCOIXCIVNN-UHFFFAOYSA-N 436.455 5.069 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)ccc1[N+](=O)[O-] 523230822 RXLGKHJVKHJDLQ-ULYJJNKVSA-N 437.521 5.018 30 20 IKED Cc1cccc([C@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)n1 531719116 BBEGTUZOGCIRPE-RUZDIDTESA-N 426.520 5.404 30 20 IKED Cn1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C(F)F)n1 533173236 SBXXLHLMPAAMLJ-JTQLQIEISA-N 427.263 5.278 30 20 IKED COC[C@](C)(C#N)NC(=O)c1sc2ccccc2c1CSc1ccccc1Cl 535319180 WKSJMFBDJFPHCQ-NRFANRHFSA-N 430.982 5.505 30 20 IKED C=CCCC[C@@H](C)NC(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1 540552198 DSMSZGWNLPCNIP-CQSZACIVSA-N 433.911 5.606 30 20 IKED C[C@H](NC(=O)NCc1nc(C(F)(F)F)cs1)c1ccc(-c2cccc(C#N)c2)cc1 541093869 FCPNPFQLPBVZRF-ZDUSSCGKSA-N 430.455 5.261 30 20 IKED CN(C(=O)c1ccc(C(F)(F)F)cn1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 542181105 UFAHGBMZQLOISL-CYBMUJFWSA-N 430.270 5.495 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 542375626 AMDYSDDUKIOGKO-UHFFFAOYSA-N 436.515 5.514 30 20 IKED C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1cccc(NC(=O)c2ccccc2)c1 543349786 OGGWSARWAWLTMZ-LJQANCHMSA-N 438.531 5.246 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 549120855 QOBQAVGKUZRRTL-GJZGRUSLSA-N 426.376 5.583 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2(c3noc(C)n3)CCCCC2)cc1 554174177 ZKHYQGRTYZJPCU-UHFFFAOYSA-N 447.495 5.032 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)c1 554782085 IJPJEZWAMNNGKK-QFIPXVFZSA-N 442.519 5.155 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](c2cccs2)C1 555265625 NQCQSLAAYBRQPU-LPHOPBHVSA-N 444.988 5.287 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(c3noc(C(C)C)n3)CC2)cc1 560930371 AIQXYPLQJDWPOT-UHFFFAOYSA-N 430.508 5.185 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCCOc3cc(F)ccc32)cc1 561984417 ITRSJAPJYOOAFS-QFIPXVFZSA-N 432.520 5.633 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@@H](c2cccc3ccccc23)C(F)(F)F)CC1 566864672 WCWHFEKZAPAHSU-NRFANRHFSA-N 438.453 5.105 30 20 IKED COCCC[C@H](c1ccc(Cl)cc1)c1noc(-c2cc(-c3cccc(C#N)c3)no2)n1 568695897 NOGIOOYVMGIISH-LJQANCHMSA-N 434.883 5.475 30 20 IKED CC(C)CN(C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[C@@H]1CCCc2cccnc21 574006113 JSWZRQWOERMIAS-XMMPIXPASA-N 441.535 5.708 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1)[C@@H]1C[C@H]1C 577533756 WQBYLUHBFDYTDB-WXTAPIANSA-N 439.515 5.151 30 20 IKED C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(Oc2cccnc2)cc1 579152654 WLAKQEKWOMHNBN-GOSISDBHSA-N 439.471 5.409 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@H](c2c(Cl)cccc2Cl)C2CC2)CC1 580807796 XYPHKYIOEKENDN-FQEVSTJZSA-N 429.351 5.106 30 20 IKED Cc1nc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)ccc1-c1ccccc1 583351899 VYAZSTSGIGGCAN-UHFFFAOYSA-N 430.483 5.143 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC(Cc2cccc(C(F)(F)F)c2)C1 590116419 QQTHWVNVZSWKHY-HNNXBMFYSA-N 433.499 5.806 30 20 IKED Cc1ccc(-n2nc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c3c2CCC3)c(F)c1 593595399 VKHWKJAYLWTUDX-HNNXBMFYSA-N 434.471 5.047 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCc1nnc(-c2ccccc2)o1 603532979 JNYRBXLBQORYTM-UHFFFAOYSA-N 440.478 5.222 30 20 IKED CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603689189 BGVDLIXEDKEEIS-UHFFFAOYSA-N 427.291 5.716 30 20 IKED Cc1ccc2nc(COc3cccc(C(=O)Nc4cccc(OCCCC#N)c4)c3)cn2c1 603972046 HGENIMGANMYQEB-UHFFFAOYSA-N 440.503 5.157 30 20 IKED C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 603992043 WQQWVMJZJWITAM-ZDUSSCGKSA-N 435.530 5.413 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 605417309 QMJMLIJOJCBGHT-DEOSSOPVSA-N 449.514 5.291 30 20 IKED C=CCn1c(SCC(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)nnc1-c1ccc(Cl)cc1 605522937 MVKXSRRSVAKDRE-HHXXYDBFSA-N 431.005 5.056 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)COc3ccc(Cl)c4cccnc34)cc2)c1 609064221 YOCBFUCYFVWGPO-UHFFFAOYSA-N 443.890 5.356 30 20 IKED COc1ccc(-c2cnc(CCC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)o2)cc1 609427026 JKVSOWWQVQFCBI-UHFFFAOYSA-N 439.471 5.585 30 20 IKED C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 609510230 DVUJDIXWZMUZCN-OAHLLOKOSA-N 428.410 5.110 30 20 IKED CC[C@@H](NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(Cl)s1 609946112 DUVMRVYWXKADIP-GOSISDBHSA-N 439.924 5.271 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)CCSc1ccc2c(c1)OCCO2 609968011 YMVDXPZFTWCQCO-UHFFFAOYSA-N 430.529 5.045 30 20 IKED C[C@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)c1cc2ccccc2n1CC#N 610571542 RRDZUXRBVKLBNH-FQEVSTJZSA-N 448.526 5.137 30 20 IKED COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2ccc3ccccc3n2)c1 613291080 SWGLCGYPQKUMMO-HSZRJFAPSA-N 444.494 5.586 30 20 IKED O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 674028799 LFWIYFDDSYIFDW-WGBDABJCSA-N 442.366 5.564 30 20 IKED O=C(CC1CCC(C(F)(F)F)CC1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 679955175 JWQUVCAWZDZPQV-NGEZQELSSA-N 427.351 5.771 30 20 IKED C[C@@H](Oc1ccccc1NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)C(F)(F)F 685096207 XBTNWQOWFUNWGO-BBBLOLIVSA-N 438.290 5.221 30 20 IKED N#CCOc1ccc(CNC(=O)c2oc3ccccc3c2CSC2CCCCC2)cc1 727678577 OTVMBTVMLWLDPP-UHFFFAOYSA-N 434.561 5.831 30 20 IKED C[C@H](NC(=O)CNc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(Cl)cc1 728200937 VKYHZMDUQVRTHL-INIZCTEOSA-N 437.902 5.219 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cccc(OCc2ccc(Cl)cc2)c1 729070501 WXNKDAFQWZGLDY-LJQANCHMSA-N 439.298 5.534 30 20 IKED O=C1/C(=C\c2cc3ccccc3nc2N2CCOCC2)Cc2c1ccc(Cl)c2Cl 729149637 DZGHWQZMYFDDDY-QINSGFPZSA-N 425.315 5.201 30 20 IKED C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 729319102 GUFDZYAEPKNFRX-UZUQRXQVSA-N 441.918 5.449 30 20 IKED COc1ccc(N2CCC(NC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)cc1 729572244 UZABAGWAEPOZKM-UHFFFAOYSA-N 442.519 5.150 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 730421858 QWJMIJVDGABPNQ-HNNXBMFYSA-N 442.878 5.271 30 20 IKED Cc1c(Cl)cccc1NC(=S)Nc1cc(C(F)(F)F)ccc1SCCC#N 730955330 XZSKEGIPUCXHAI-UHFFFAOYSA-N 429.920 6.482 30 20 IKED Cc1cc(-c2noc([C@@H](C)OC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)n2)ccc1F 732402993 YLINZUXDXQEMPT-OAHLLOKOSA-N 444.422 5.161 30 20 IKED Cc1ccc(COc2cccc(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c2)cc1 732436906 YSWQQLUNNYREOH-UHFFFAOYSA-N 442.563 5.041 30 20 IKED C=CCN(CC1CCCCC1)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 732643444 DIQUWIWHCKLKGK-CYVLTUHYSA-N 448.679 5.324 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)ccc1OC 733277684 NMDNRPSHXQLCLE-WMZHIEFXSA-N 445.563 5.334 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(CCc2ccc(Cl)cc2)CC2CC2)c1 735100554 LADJLBAGVRAGMF-JOCHJYFZSA-N 425.960 5.185 30 20 IKED N#CCOc1ccc(Cl)cc1CSCC(=O)Nc1ccccc1Cc1ccccc1 735318674 NFEXMXJDZWIWGN-UHFFFAOYSA-N 436.964 5.705 30 20 IKED CC(C)(C)OC(=O)NC1CCC(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 740434218 BGTHACHWNPJOIZ-XPPIMPSXSA-N 448.567 5.299 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 743238505 RKTDTGRKWBTZLE-HXUWFJFHSA-N 444.466 5.492 30 20 IKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 743449597 SHAKXUIDGPPQLX-ZDUSSCGKSA-N 446.315 5.087 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1cccc(COc2ccccc2)c1 743473406 WTHNPQGKGCRTEA-HXUWFJFHSA-N 429.520 5.021 30 20 IKED C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1C(F)(F)F 744034024 YEWAQLYAMGSKLT-ZUZCIYMTSA-N 429.225 5.463 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1nc(-c2ccc(Cl)cc2Cl)cs1 744034413 BVXSUIOFTMYLPG-RRFJBIMHSA-N 449.309 6.375 30 20 IKED C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1 744823601 MIYPCVOCRSJDAG-NSHDSACASA-N 434.304 5.139 30 20 IKED C/C(=C\C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1cccc(C(F)(F)F)c1 745482322 DTGHFUCTATVUCY-MDJJKAFGSA-N 448.416 5.126 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(C(C)C)cc2)cs1)c1ccc(F)cc1F 746006745 SVKMURHGMNZVLJ-LUAWRHEFSA-N 426.488 6.125 30 20 IKED O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2)c1cccnc1 747003919 VROSRHKKAINSMU-LUAWRHEFSA-N 437.499 5.051 30 20 IKED O=C(Cc1cc(F)cc2c1OCOC2)O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 750214488 CSYJJVIYZITLCB-QGZVFWFLSA-N 438.295 5.100 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)[C@H](C)c2ccc(Cl)s2)n(C2CCCC2)c1C 750549408 UWJOXFKCDIIKSR-CYBMUJFWSA-N 433.961 5.092 30 20 IKED C[C@@H](C[C@H](O)c1cccs1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 752211810 KVOKGADTIJTITK-JTSKRJEESA-N 435.549 5.027 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 755750210 HRAADNARACKURM-GVXVVHGQSA-N 441.475 5.041 30 20 IKED CCOc1ccc(Oc2ccccc2NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc1 761817884 UXTGDMLTMPKWKN-VWLOTQADSA-N 443.503 5.355 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2SC(F)F)nnc1-c1ccc(C)cc1 765332026 PBJIOMJSZMDCAW-UHFFFAOYSA-N 446.548 5.485 30 20 IKED CN(CCC#N)c1ccc(CNc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1 766089804 REZIYBHFURINCS-UHFFFAOYSA-N 436.918 5.693 30 20 IKED C=CCn1c(SCc2cc(=O)oc3c(C)c(C)ccc23)nnc1-c1cccc(OC)c1 768411524 KXGQATMIMVIBFJ-UHFFFAOYSA-N 433.533 5.155 30 20 IKED COc1cc(C[S@](=O)Cc2ccc(Cl)cc2C)ccc1OCc1cccc(C#N)c1 768754074 DYUJHBFWOIWLBB-PMERELPUSA-N 439.964 5.557 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 777830965 MCHGFYPMRGABSK-UHFFFAOYSA-N 444.491 5.023 30 20 IKED COc1cccc2[nH]cc(CCNC(=O)c3ccccc3SCc3ccc(C#N)cc3)c12 778498067 QJGGFSXAQKLVSD-UHFFFAOYSA-N 441.556 5.313 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 780152885 UISFCPJHELZXKQ-ZHRWSRJISA-N 428.332 5.667 30 20 IKED Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 780156971 FDXVSIRHLVZZII-SFHVURJKSA-N 440.478 5.530 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 780513340 NLGLDTRAIASREI-OAHLLOKOSA-N 440.931 5.337 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(COc2ccc(Cl)nc2)CC1 790095945 SAWVZSOKAPPWIH-UHFFFAOYSA-N 447.922 5.330 30 20 IKED COCCCn1nccc1/C=C\C(=O)c1sc(-c2ccc(Br)cc2)nc1C 802705136 VCYYSZCQNXNZPS-HJWRWDBZSA-N 446.370 5.010 30 20 IKED Cc1ccnc2ccc(C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)cc12 802799850 MJEJTNWLEFASEH-SCLBCKFNSA-N 426.303 5.050 30 20 IKED Cc1noc(C(F)(F)F)c1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 803756315 OOYWNLMGKOOYJB-UHFFFAOYSA-N 434.258 5.312 30 20 IKED C[C@H](OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)C(=O)Nc1ccccc1Oc1ccccc1 803924508 QQCDTJWABMTZQD-KRWDZBQOSA-N 444.462 5.092 30 20 IKED CCN(c1ccc(NC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1)C(C)C 812454996 UAHXISQZNQRKIB-NRFANRHFSA-N 429.549 5.162 30 20 IKED Cc1c(Br)c2ccccc2n1CC(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813218896 UQUUNOJHGSMFKU-AWEZNQCLSA-N 436.231 5.003 30 20 IKED N#C[C@H](C(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1)c1nccc2ccccc12 816045293 HVLQVXZAIDLLGG-FQEVSTJZSA-N 430.895 5.122 30 20 IKED CC(C)(C)OC(=O)N[C@H](CCCC#N)c1nc(-c2cccnc2Oc2ccccc2)no1 904454579 TXTRICHKAXXGTQ-GOSISDBHSA-N 435.484 5.184 30 20 IKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(-c2nc(C3CCC3)no2)ccc1Cl 904869350 UAXPGMQSJNXVOM-UHFFFAOYSA-N 429.929 5.039 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cc(Cl)ccc1OC(F)F 915943541 GRRCLEQSFKBJAA-UHFFFAOYSA-N 445.878 5.570 30 20 IKED CCCOc1c(Cl)cc(/C=C/C(=O)c2ccc(N3CCOCC3)c(F)c2)cc1OC 916545718 VIDKASKFLWGCSJ-QPJJXVBHSA-N 433.907 5.009 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1sc2cccc(Cl)c2c1Cl 916918831 QQEHODSFGWHGTM-CQSZACIVSA-N 439.323 6.322 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3cccc(Cl)c3Cl)n2)cc1 916974997 UQNRGQJQWFJMBY-DZGCQCFKSA-N 431.344 6.069 30 20 IKED N#C[C@H](C(=O)[C@H]1Cc2ccccc2S1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995195 CDMNGDWGDMWLFC-RDTXWAMCSA-N 431.369 6.010 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1 918324665 PFIGAGUPZKSNJO-UHFFFAOYSA-N 441.535 5.126 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cn(Cc2ccccc2)c2ccccc12 920102162 QUMZNBDFQPNFGI-JOCHJYFZSA-N 431.495 5.685 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4cccc(C)c4)n3)n2)cc1 920143513 RBJWVKOGLRMPRX-HXUWFJFHSA-N 445.569 5.670 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1cc2c(Cl)cccc2s1 923557878 TUKPXHPYDYKKNU-CQSZACIVSA-N 442.924 5.055 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccccc4OC(F)F)CCC3)cc2)C1 1785808866 JHGKLPSSCZZFOR-UHFFFAOYSA-N 426.463 5.002 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3cccnc3Cl)cc2)CCC1 1786771769 CDNNHFHSJDHSGU-NRFANRHFSA-N 437.971 5.180 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cccc4cc(C)[nH]c34)cc2)CCC1 1789016247 NRAGVWKYIOVKNG-UHFFFAOYSA-N 433.577 5.143 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc4cnccc34)cc2)CCC1 1789327611 WISBWQKTMXGRKR-HSZRJFAPSA-N 439.559 5.751 30 20 IKED C[C@H](C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1)n1cccc1 1790082481 CIDLCTZDUUNJSZ-QGZVFWFLSA-N 446.938 5.022 30 20 IKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2C2CC2)[C@@H]1c1cccnc1 1803088386 AJZYGHRDJNNZQN-JYFHCDHNSA-N 443.591 5.047 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C)c(OC)c2)[nH]n1 1814442060 XEHLPDVRIUFOAP-FQEVSTJZSA-N 438.572 5.025 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)[nH]n1 1821921763 UMTPSQFORBGLHF-VLIAUNLRSA-N 439.947 5.063 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(F)cc2)n[nH]1 1822220607 PAVCWTSGOVUVLN-NRFANRHFSA-N 440.563 5.166 30 20 IKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3sccc3s2)[nH]n1 1822584571 VXPQEBZZTHCOFS-INIZCTEOSA-N 440.594 5.185 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2c(F)cccc2F)CC1 1823753942 QNLORFSVBZGGFZ-QHCPKHFHSA-N 446.582 5.119 30 20 IKED Cc1cc(Cl)ccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1 1823912405 RRGGCKQNUSISQJ-DEOSSOPVSA-N 449.982 5.067 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](c3ccccc3)[C@@H](C)CC)CC2)C1 1826420169 ZVJUTEOBGGDIDH-MZBJOSPHSA-N 436.640 5.402 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3nc(C)sc23)CC1 1828096096 MOAUBDLFIMLZJE-HTAPYJJXSA-N 439.625 5.050 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(C)ccc3[nH]2)CC1 1828122900 PFDWTZYTQZHHCZ-ZEQKJWHPSA-N 447.623 5.478 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 1828400091 DGLYSULMCNZLBV-QODFHFCMSA-N 443.031 5.275 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3sccc3c2O)CC1 1830959006 LXUUZLSDQMXVKU-LAUBAEHRSA-N 440.609 5.052 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncccc2-c2ccccc2)CC1 1831369175 CDLVJQAWWAFKOS-SQJMNOBHSA-N 445.607 5.194 30 20 IKED Cc1cscc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832630411 HYDOZOIDLBKCFC-MHECFPHRSA-N 449.620 5.231 30 20 IKED CCCCC[C@H](C)n1c(SCC(=O)N(CC#N)c2ccccc2)nc2ccccc2c1=O 23869430 UDOACEGNXZAJIW-IBGZPJMESA-N 448.592 5.187 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c2sc(/C(O)=N/c3nnc(C(F)(F)F)s3)cc12 29282947 QLICKYZHPHVEQA-UHFFFAOYSA-N 443.863 5.555 30 20 IKED COc1ccc(C#N)cc1NC(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)no1 64742280 ZBAUTNZKZKJBFB-UHFFFAOYSA-N 436.487 5.238 30 20 IKED CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 303065034 VLLSVOFKFAIGQD-UHFFFAOYSA-N 432.490 5.102 30 20 IKED C=CCN(CC1CCCCC1)C(=O)CCSCc1nc(O)c2c3c(sc2n1)CCC3 303423020 BCPZTGNVJRZHRN-UHFFFAOYSA-N 445.654 5.104 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)c1 303529662 FNXWYWYURLRUCB-UHFFFAOYSA-N 426.394 5.331 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(N2CCCC2=O)ccc1F 303882818 OBITVOLXERHVEB-UHFFFAOYSA-N 429.451 5.177 30 20 IKED C=CCN(C(=O)C1C[C@@H]2CC[C@H](C1)C2=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 432205477 ZFMXJKXFIHHJDQ-YIONKMFJSA-N 435.376 5.641 30 20 IKED CCn1nccc1C1CCN(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 434372037 KEMFVCJIYLNZQL-LJQANCHMSA-N 427.552 5.092 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-n2ncc3ccccc32)cc1Cl 435857915 ZAMZKTIOTRAYRE-INIZCTEOSA-N 446.963 6.325 30 20 IKED CC(C)(CO)[C@@H](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccccc1 438172360 AYXFFQGRUWQTOV-QFIPXVFZSA-N 432.495 5.022 30 20 IKED C[C@@H](NC(=O)Nc1ncc(Cc2cccc(Br)c2)s1)c1ccc(C#N)cc1 438561544 LBQUSVJGQFKCBI-CYBMUJFWSA-N 441.354 5.251 30 20 IKED CO[C@H](C)c1nc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cs1 438594188 YEEURNHXDDQFDT-CYBMUJFWSA-N 442.928 5.490 30 20 IKED Cc1cc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)ccc1OC(C)C 441529302 JJCHWIWIDIEIMC-UHFFFAOYSA-N 429.476 5.023 30 20 IKED C=CC[C@@H]1N(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)CCCC1(C)C 444841335 WUVJUGBUNYNFMB-IBGZPJMESA-N 449.473 6.149 30 20 IKED Cc1cccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)c1 445623568 KRARPHCGICTKOG-LJQANCHMSA-N 447.560 5.150 30 20 IKED C[C@H](Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)C(=O)Nc1cccc(C#N)c1 463403871 JFRDPVIZBPUKBI-AWEZNQCLSA-N 436.874 5.042 30 20 IKED Cc1nc2cc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)ccc2n1Cc1ccsc1 464421095 RRAIWAVBLHUORR-KRWDZBQOSA-N 440.450 5.358 30 20 IKED CSc1nc(C(C)(C)C)nc(C)c1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 464677018 JNNWBMQFXINXTP-UHFFFAOYSA-N 433.537 5.116 30 20 IKED C=CCn1c(SCCCSCC#N)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 466615763 ADSJARYOSXLHSH-UHFFFAOYSA-N 445.610 5.498 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C[C@H](c2ccsc2)O1 470590122 DXRJXHPAYFHQNU-IVZQSRNASA-N 437.496 5.545 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)c2ccc(Cl)cc2Br)CC1 471289933 YRJYLQRZEMINER-UHFFFAOYSA-N 433.733 5.094 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc4nc(C(F)(F)F)cn4c3)c2)c1 471724676 IYMZGVAZYKEKAR-UHFFFAOYSA-N 436.393 5.056 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 476700295 VNPAOHDBSRCDAS-XMSQKQJNSA-N 449.913 5.041 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccc(Br)cn1 477768347 OHTYWGNXBAABLZ-CYBMUJFWSA-N 440.272 5.138 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H](Nc4ccccc4)C3)c2)cc1 478226122 BLJCJOCCJYFENK-RUZDIDTESA-N 440.547 5.440 30 20 IKED C=C(C)[C@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccc(F)c(F)c1 478918419 VTLSSOYKOMFUFL-VWLOTQADSA-N 448.513 5.404 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)c1nc(Cc2ccccc2)no1 481376938 UEWCFVVRRDSCNM-GOSISDBHSA-N 447.564 5.179 30 20 IKED CC[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccccc1OCC(=O)N1CCCC1 481928949 TWAUYZMTEIQJKL-LOSJGSFVSA-N 431.580 5.068 30 20 IKED CCS[C@H](C)c1noc(CN(C)C(=O)c2ccc(Sc3ccccc3C#N)cc2)n1 482778365 JZIKVUJIZQHZFV-OAHLLOKOSA-N 438.578 5.179 30 20 IKED COc1ccc(C(=O)Nc2ccc(C(=O)[C@@H](C#N)c3nccc4ccccc34)s2)cc1 483210577 DKXYBEHVWOLLSO-IBGZPJMESA-N 427.485 5.047 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@@H](CCCC#N)c1ccccc1 487346907 SVWJFUAHISAPNW-FQEVSTJZSA-N 439.968 5.849 30 20 IKED C=CCn1c(SCCC(=O)Nc2ccc(OC)c(Cl)c2)nnc1-c1ccccc1C 488920426 QNOTZWFYFPZSCK-UHFFFAOYSA-N 442.972 5.222 30 20 IKED Cc1cccc([C@@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C(C)(C)C)c1 490477981 RQXSPKJSTJELCO-HSZRJFAPSA-N 432.568 5.014 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N[C@H](c1c[nH]c2ccccc12)C(F)(F)F 490779280 AXVROGDBINQUOG-IAGOWNOFSA-N 447.354 5.903 30 20 IKED CCc1sc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1Br 497359544 BBWTURFVCRGTAL-CYBMUJFWSA-N 442.363 5.558 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)c1sc2ccc(Br)cc2c1C 499326120 XPAPCOXELUUBBN-UHFFFAOYSA-N 445.338 5.121 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1 499700008 OMIXBRHHTPVXSQ-UHFFFAOYSA-N 441.963 5.369 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1cccs1)Cc1cccs1 503203677 UKIDVPALAWAQKT-MRXNPFEDSA-N 427.620 6.438 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3ccccc3SCc3cccs3)CC2)cc1 504728814 HDHPZKXSYIXIBW-UHFFFAOYSA-N 434.586 5.596 30 20 IKED Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)cc1NC(=O)c1ccccc1F 505820332 KESRIVXCLHLLJO-DEOSSOPVSA-N 443.522 5.679 30 20 IKED N#C[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1ccc(Cl)cc1 505826197 MJWPELVVABPLSS-INIZCTEOSA-N 439.224 5.193 30 20 IKED C=CCn1c(-c2ccoc2)nnc1N1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 508502598 BZQRUYVPBVOCEI-QGZVFWFLSA-N 447.564 5.240 30 20 IKED C=CCOc1cccc(NC(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1 511001719 QSKVQIYLOHJFQI-UHFFFAOYSA-N 427.957 5.926 30 20 IKED COc1ccc(-c2csc(NC(=O)c3ccc(COc4ccccc4C#N)o3)n2)cc1 512094774 LBTWROYDTMBXAH-UHFFFAOYSA-N 431.473 5.115 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cc1Cl 512192763 CBBUZJUKNGOVNZ-QHCPKHFHSA-N 448.925 5.821 30 20 IKED C=CCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1-c1ccc(Cl)cc1 514189518 ILSQUQPNBUDJIM-UHFFFAOYSA-N 443.985 5.065 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 515542547 SQEOTZQJXFWMGY-KRWDZBQOSA-N 435.961 6.386 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)Cc1csc2nc(-c3ccccc3)cn12 515697961 VSCZUENYOBDELO-UHFFFAOYSA-N 440.553 5.844 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccsc2)cc1Cl 517126753 VABJMTGVACYSGL-UNMCSNQZSA-N 449.963 5.359 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(CCc3ccc(O)cc3)CC2)cc1 517730426 XBLRSXPYYHVRKI-UHFFFAOYSA-N 447.579 5.083 30 20 IKED COc1ccc([C@H](NC(=O)CCCCOc2cccc(C#N)c2)c2ccc(C)cc2)cc1 518378220 WLLHTKLIURPZHH-HHHXNRCGSA-N 428.532 5.330 30 20 IKED C[C@H](Cc1cccc(Br)c1)NC(=O)Nc1ccccc1S[C@H](C)CC#N 518755343 GCCAJELGLQIWCM-HUUCEWRRSA-N 432.387 5.596 30 20 IKED N#Cc1cccc(OCCCCC(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)c1 521077078 XIINIHVXBFZXIC-MUUNZHRXSA-N 440.543 5.338 30 20 IKED Cc1nn(C(F)F)c(C)c1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 521324762 KFVLUNLJYWKVMZ-UHFFFAOYSA-N 430.842 5.394 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 521810414 NZYFJOMECHDONK-QGZVFWFLSA-N 443.016 5.520 30 20 IKED Cc1nc(-c2ccsc2)ccc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 522346010 UGLSPCCJCXEKMF-UHFFFAOYSA-N 439.540 6.016 30 20 IKED Cc1c(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)cccc1OCC(F)(F)F 524153960 DTXPYIVDSDHAHI-UHFFFAOYSA-N 447.457 5.320 30 20 IKED Cn1ccc2c(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)cccc21 524275951 FXYNNSADICTRNQ-UHFFFAOYSA-N 440.450 5.368 30 20 IKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)[nH]c2c1C(=O)CC(C)(C)C2 524410545 AYNVBOGVLOZCQY-UHFFFAOYSA-N 427.504 5.181 30 20 IKED COc1cc2c(cc1F)CN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)cc1C)CC2 537512092 NAWJACSCOCVOSQ-UHFFFAOYSA-N 445.494 5.184 30 20 IKED CN(Cc1ccccc1NC1CCC(C#N)(c2ccccc2)CC1)C(=O)c1cccs1 539933433 IKPNICRJRKXYIX-UHFFFAOYSA-N 429.589 5.836 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)CCC1CCN(c2ccncc2)CC1 540047073 FSWFSURSHBQAJO-IBGZPJMESA-N 437.613 5.104 30 20 IKED CCOCCOCc1cccc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1 540225782 WFOBPVOOWVZCRQ-UHFFFAOYSA-N 429.520 5.100 30 20 IKED CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 540545815 UKWKTKDLPBUVHD-IQGLISFBSA-N 447.510 5.368 30 20 IKED COc1cc(NC(=O)CCSc2ccc(C#N)c(C(F)(F)F)c2)c(OC)cc1Cl 541076687 FWBCDLCLYKCNOA-UHFFFAOYSA-N 444.862 5.369 30 20 IKED FC(F)(F)c1cc([C@H](NCc2cn3cccnc3n2)C(F)(F)F)cc(C(F)(F)F)c1 541193996 BADBEBWGJAZGPK-ZDUSSCGKSA-N 442.285 5.160 30 20 IKED CC(=O)CCc1ccc(OCC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 542930084 LTHLUIJGHTVNKU-HXUWFJFHSA-N 426.516 5.003 30 20 IKED Cc1nc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)sc1C 543052320 KHRKLKIETYZFSS-CYBMUJFWSA-N 436.343 6.191 30 20 IKED C=CCN(C(=O)c1cccc2ncnn12)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 544357378 LRMASPRIEAGFRB-UHFFFAOYSA-N 437.528 5.353 30 20 IKED CC(C)c1ccc(CN2CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)cc1 553071644 SZJUDUXCSKMRCO-FQEVSTJZSA-N 436.625 5.411 30 20 IKED C=CCn1c(-c2ncccc2C)nnc1N1CCC[C@H]1c1ccc(Br)c(F)c1 554919522 MHBAWPITFWTTOU-SFHVURJKSA-N 442.336 5.078 30 20 IKED N#CCc1ccc(OCc2cccc(NS(=O)(=O)c3ccc(C(F)F)cc3)c2)cc1 561690507 RSXIVSPKYIRHEX-UHFFFAOYSA-N 428.460 5.070 30 20 IKED C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](c2ccccc2)c2ccccc21 568133611 DTXXUKUTWIUUJH-QFIPXVFZSA-N 446.514 5.064 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(C)(C)Cc1ccc(Br)c(C)c1 574506681 SJNWMSHRMHFNKT-UHFFFAOYSA-N 434.374 5.016 30 20 IKED N#CCc1ccccc1NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 583048640 YVCUHQIOPAHFRM-UHFFFAOYSA-N 439.302 5.956 30 20 IKED COc1ccc(-n2c(S[C@H](C#N)Cc3ccccc3)nnc2-c2ccccc2OC)cc1 604042432 SZVBMMBWNSKHDS-NRFANRHFSA-N 442.544 5.178 30 20 IKED CCC(=O)N[C@@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1 608958910 MKUQGUIYTUSHET-HSZRJFAPSA-N 433.895 5.210 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 609061005 HOJBQWTYDKGYOL-BXKMTCNYSA-N 439.515 5.293 30 20 IKED COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)ccc21 609126364 PEPJSKUABHFQFU-UHFFFAOYSA-N 440.503 5.216 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1nc2ccccc2n1C(F)F 609402922 IIICLJKPRLQDFJ-UONOGXRCSA-N 429.496 5.566 30 20 IKED CCCN(C(=O)c1cc2ccccc2n1CC#N)[C@@H](c1cccnc1)c1ccc(F)cc1F 609522376 DRGHWOATWPAQEW-VWLOTQADSA-N 444.485 5.480 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(CSC3CCOCC3)c2)cc1 609716462 MOSNIGPKOOATKE-UHFFFAOYSA-N 440.569 5.050 30 20 IKED N#Cc1c(NC(=O)c2oc3ccccc3c2CSc2cccs2)nc2n1CCS2 609814395 GZPKEKZMAONBIK-UHFFFAOYSA-N 438.559 5.213 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCCCC[C@H]2c2ccco2)cc1 609928876 GQIHXIBEZBOWOR-NRFANRHFSA-N 431.492 6.101 30 20 IKED C[C@@H](NC(=O)[C@H](Oc1ccccc1Br)c1ccccc1)c1cccc(C#N)c1 610362693 UBBRAGXRCKJOKP-OPAMFIHVSA-N 435.321 5.318 30 20 IKED C[C@H](NC(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1cccc(C#N)c1 610406228 FVEOMWDCXPZSBN-ZDUSSCGKSA-N 430.455 5.261 30 20 IKED COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 614160230 JRVJEMDLIHEWFQ-LJQANCHMSA-N 435.524 5.102 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1nc2cc(F)ccc2s1 682003387 BWWLYVGWIAZFDF-CYBMUJFWSA-N 446.381 6.084 30 20 IKED C#Cc1cccc(NC(=S)NCc2ccccc2-c2ccc(CN3CCCC3)cc2)c1 726454812 CPFIKOZJUQPGGL-UHFFFAOYSA-N 425.601 5.417 30 20 IKED O=S(=O)(Nc1ccccc1)c1ccc(NN=Cc2cnc(-c3ccccc3)s2)cc1 727257011 BPHDREVCEVIPHM-UHFFFAOYSA-N 434.546 5.057 30 20 IKED COc1ccccc1[C@@H](C)NC(=O)CNc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728051885 PHMPWYABGDHTOH-QGZVFWFLSA-N 449.938 5.089 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(O)c(C)c2)ccc1OCC(=O)Nc1ccccc1 728230718 GELSEGFSSSODEQ-FMIVXFBMSA-N 431.488 5.013 30 20 IKED C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 728412243 SJJZFZIGCVJTOX-PXNSSMCTSA-N 445.469 5.666 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CNc1ccc(OCc2cccc(F)c2)c(F)c1 728569585 NDWAFQDKEPFUPP-UHFFFAOYSA-N 427.838 5.119 30 20 IKED Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)CSc2ccc(C#N)cc2)c2ccccc2)c1 728675756 RKUSXLBRMDPLHZ-DEOSSOPVSA-N 430.529 5.190 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N(Cc2cccc(C)c2)Cc2ccccn2)cc1OC 729251585 UOPYMHQOLIOMOM-OWBHPGMISA-N 428.532 5.206 30 20 IKED CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 729552822 MCNXHCFYTUHKET-GOTSBHOMSA-N 448.567 5.205 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 731076312 BKYLOFHWGKKNRC-ZPMCFJSWSA-N 444.556 5.519 30 20 IKED CCCCCCNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 731400450 OJQMVAZHUCZKOK-OALUTQOASA-N 430.618 5.021 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-n3nc(C)cc3C)c(F)c2)cc1 732708205 NYNLHLGGDKWNSL-VFNWGFHPSA-N 432.499 5.103 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1sc(C(C)(C)C)nc1C 733080279 UTGIAJPJKVXTMO-UHFFFAOYSA-N 434.491 5.456 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)/C=C(/C)c2ccc(C(F)(F)F)cc2)ccc1OC 733231145 ZFNIPZCJLHSWDZ-ILCZHQDMSA-N 432.442 5.115 30 20 IKED C=CC[C@H](NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccncc1 734361620 VAHFMRFPXKGNIF-QFIPXVFZSA-N 425.488 5.056 30 20 IKED Cc1ccc(Nc2cccc(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)c2)nn1 739749684 KWKJMIDHCJFDEZ-UHFFFAOYSA-N 425.517 5.059 30 20 IKED CCOCCOCc1cccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1C 746035015 NKFHHDMMFSYOEX-UHFFFAOYSA-N 449.576 5.470 30 20 IKED CCCn1nc(C)c(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)c1C 755526553 ZDHYRMFMFXPWPZ-UHFFFAOYSA-N 439.972 5.192 30 20 IKED COC(=O)c1ccccc1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 755609893 FJHSQEALQCDIIE-MRXNPFEDSA-N 445.327 5.322 30 20 IKED N#C[C@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)c1nc2ccccc2n1C(F)F 769943881 BVDRHMZCHKGBMJ-CKXDQPNJSA-N 439.771 5.907 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)O[C@H](C#N)Cc3ccc(F)cc3F)ccc21 774337497 OOUHZVDOOUMPIM-HNNXBMFYSA-N 437.368 5.206 30 20 IKED C[C@@H](N[C@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1)c1ccc(OCC#N)cc1 776171643 ONTPLLKBOAXBKW-KBMIEXCESA-N 445.563 5.659 30 20 IKED CC(C)N1CC[C@H](NC(=O)c2ccccc2SCC#N)[C@H]1c1ccc(Cl)c(F)c1 777420377 GRJSRSCNUKOZEA-PZJWPPBQSA-N 431.964 5.049 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 779449864 QSFVDMRQNSJUPV-NVXWUHKLSA-N 429.904 5.223 30 20 IKED COc1cccc([C@H](OC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c2ccncc2)c1 782465267 ZSECXHCQEZJPST-RUZDIDTESA-N 437.455 5.096 30 20 IKED CCN(CC)C(=O)CCC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 782552440 FOUMYUOAJKJSGC-VWLOTQADSA-N 446.595 5.235 30 20 IKED C=CCCN(Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1)OCc1ccccc1 782669528 OQTQUKIZOUOUIR-UHFFFAOYSA-N 449.620 6.263 30 20 IKED C[C@@H](C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1CC1 787106361 AFWXOQYSXHQTJR-RXMQYKEDSA-N 446.203 5.315 30 20 IKED COc1ccccc1-c1ncc(/C=C/C(=O)c2sc(-c3ccccc3F)nc2C)cn1 792883967 NIMKLIKTKYVLPN-VAWYXSNFSA-N 431.492 5.619 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)[C@H](O)c3cccc(C(F)(F)F)c3)c2)cc1 795313675 GQYMUDSCCBDMJA-JOCHJYFZSA-N 440.421 5.023 30 20 IKED COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 812168499 QNOZCEOVUDZXSJ-FQEVSTJZSA-N 442.350 5.111 30 20 IKED Cn1c(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)ccc1-c1ccc(Br)cc1 813221858 XKWVXNQBXVIRGS-HNNXBMFYSA-N 448.242 5.358 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1 814653222 SHATXKPXDXSHLO-XMSQKQJNSA-N 436.556 5.829 30 20 IKED N#Cc1cc(N[C@@H](CCc2ccccc2)c2ccccc2O)ccc1N1CCC(O)CC1 815606605 BOTKKBMHMTWUAZ-VWLOTQADSA-N 427.548 5.011 30 20 IKED O=C(N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)[C@H](F)c1ccc(C(F)(F)F)cc1 857500215 MGOMJBOCCSCOQX-HUUCEWRRSA-N 443.746 5.238 30 20 IKED Cc1cc(CNC(=O)OC(C)(C)C)cc(NCc2cc(C#N)ccc2Br)c1 864040895 XBLUPLFSYLXTJD-UHFFFAOYSA-N 430.346 5.266 30 20 IKED Cc1ccc(Cn2nc(C)c(C(=O)Nc3sc4c(c3C#N)CCCCC4)c2Cl)cc1 878078937 PFRYTFIVEGKTTA-UHFFFAOYSA-N 438.984 5.656 30 20 IKED CC(=O)Nc1cccc([C@@H](C)/N=C/c2cc(Br)cc(Br)c2O)c1 914556625 CSVPJLPRDFSZAZ-KTMXNEEYSA-N 440.135 5.056 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1 915087453 TVPLAHOUFCJVFJ-DEOSSOPVSA-N 426.447 5.905 30 20 IKED N#C[C@@H](C(=O)CCc1nc2ccccc2o1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915103558 XWMKOWDMCFBNOT-NGALLESISA-N 431.561 5.561 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)s1 915180340 NQOMIJIIRLKMSR-HXUWFJFHSA-N 429.570 6.017 30 20 IKED CCN(CC)C(=O)c1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915353725 QIAYHHUFUDEXDT-RUZDIDTESA-N 440.547 5.146 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(OCc3cscn3)c2)cc1 916954483 IHRJGJUKIWVRRV-KSFYIVLOSA-N 433.533 5.197 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnn(Cc3ccccc3Cl)c2)cc1 916956031 XHFDIJSVOVHWMH-IIBYNOLFSA-N 434.927 5.059 30 20 IKED CC(=O)N[C@@H](CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccc(Cl)cc1 917045807 ADACFYYZRLPLQC-CVEARBPZSA-N 432.332 5.047 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)c(C)n1-c1cccc(Br)c1 917510160 UEBOMWBISKZNMS-GOSISDBHSA-N 434.293 5.488 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)C(=O)Nc1ccccc1Cl 920109561 QYVYCQWSOJUPRH-LLVKDONJSA-N 436.345 5.068 30 20 IKED CSc1nc(O)c(C(=O)N(Cc2ccccc2)c2nc3c(C)cccc3s2)cc1C#N 1351682146 NKKCPVUMWKGGBM-UHFFFAOYSA-N 446.557 5.146 30 20 IKED CCc1nnc(O)c(C(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)c1CC 1469097057 JJZOOFIWBUZDJV-UHFFFAOYSA-N 438.940 5.236 30 20 IKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4c(Cl)cncc4s3)cc2)CCC1 1788311892 AYYCOGMGNCDRJH-GFCCVEGCSA-N 445.997 5.016 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3nccc4[nH]ccc34)CCC2)cc1 1789451522 KKSHOEJZSZOZNG-HXUWFJFHSA-N 428.536 5.079 30 20 IKED COc1cc(Cl)cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](S)C(C)C)CCC3)cc2)c1 1792147950 RGWNRHWVFPLCAT-FQEVSTJZSA-N 447.000 5.051 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccsc2)[nH]n1 1814442148 MOGXLXCHSIZXNV-IBGZPJMESA-N 428.602 5.089 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)cc(OC)c2)[nH]n1 1819556175 XHIJPUWIJMXLQK-NRFANRHFSA-N 438.572 5.025 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc3ccoc13)CC2 1820100890 QFUXBQCFCKRDIY-INIZCTEOSA-N 437.565 5.108 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2c[nH]c3ccccc23)n[nH]1 1820735435 WEEIGFOTXZXNRN-QFIPXVFZSA-N 447.583 5.118 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)s2)CC1 1825853885 GBELFYUBXKWKNB-RTBURBONSA-N 435.033 5.403 30 20 IKED Cc1ccc(C2(C(=O)N3CCC([C@@H]4CCCCN4C(=O)CCC#N)CC3)CCCCC2)cc1 1826694557 MDKLXJCWZGKKHG-VWLOTQADSA-N 449.639 5.120 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC2Cc3ccccc3C2)CC1 1828829670 KXRNXQHCMCYGII-SXOMAYOGSA-N 448.651 5.180 30 20 IKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831060360 OCFAYCDHQLUBPX-DEOSSOPVSA-N 442.559 5.233 30 20 IKED Cc1ccc(-c2nnc(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n2-c2ccc(C)cc2)cc1 10263609 MDVFJHZZYISEDU-DFBJGRDBSA-N 447.608 5.086 30 20 IKED Cc1ccc(NC(=O)[C@H](Sc2nc(C)cc(C)c2C#N)c2ccccc2)c([N+](=O)[O-])c1 10266874 CFCDXBDZGJDLFO-OAQYLSRUSA-N 432.505 5.259 30 20 IKED C=CCn1c(SCc2csc(-c3ccccn3)n2)nc2sc(C)c(C)c2c1=O 12472531 WQZJUYHOGLAGLD-UHFFFAOYSA-N 426.592 5.072 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)NCCc2ccccc2)cc1 22735296 AMUMIVQGYIECPD-UHFFFAOYSA-O 430.018 5.023 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 32503595 CPXSEBGKXIYLGF-UHFFFAOYSA-N 446.981 5.031 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 32789422 ZCAUMTIRWLAIPE-HNNXBMFYSA-N 446.498 5.193 30 20 IKED N#Cc1ccccc1-c1ccc(CSc2nnc([C@H]3COc4ccccc4O3)o2)cc1 45773024 CUKFHYZKTKZEJK-JOCHJYFZSA-N 427.485 5.413 30 20 IKED C=CCN(CCc1ccccc1)C(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1 62402843 CCLWLDCWKWPBDZ-UHFFFAOYSA-N 427.548 5.155 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2cccnc2)cc1)c1nc(-c2c(F)cccc2F)cs1 64715492 QIFVERYBMFTSJV-KRWDZBQOSA-N 433.439 5.766 30 20 IKED Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(C#N)cc3)c3cnn(C(C)C)c3n2)s1 105869439 GNMDORKPUGPYSE-MRXNPFEDSA-N 429.549 5.412 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3C[C@H]3c3cccc(Br)c3)s2)cc1 195747707 ZNXQTUIEMVDGQT-RBUKOAKNSA-N 438.350 5.110 30 20 IKED CC(C)c1oc([C@@H]2CCCN2Cc2nnc(-c3ccc(C#N)cc3)o2)nc1-c1ccccc1 427030720 VUFCNJCQTAAOFQ-NRFANRHFSA-N 439.519 5.724 30 20 IKED CC[C@H](c1ccccc1)c1nnc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)s1 428731921 HHFZAIODXRQWKT-LJQANCHMSA-N 442.548 5.109 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](CO)Cc1ccc(Br)cc1 429620924 JHNLAQHPORRXPQ-GOSISDBHSA-N 445.401 5.274 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cc1NC(=O)Nc1ccccc1 430609909 JBJZHSWLVGTUHB-SFHVURJKSA-N 432.549 5.883 30 20 IKED Cc1cccnc1CNC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 438510457 DGYSTUOITUDOGE-UHFFFAOYSA-N 426.398 5.395 30 20 IKED CC[C@H](C)[C@@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccc(Cl)cc1 442161850 BADIVVIGLNSMLV-MGPUTAFESA-N 429.973 5.188 30 20 IKED N#CCCCn1cc(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)c2ccccc21 443896060 BJFVTKDXUYUDQX-UHFFFAOYSA-N 435.833 5.792 30 20 IKED Cc1sc(CCNC(=O)c2occc2COc2cccc(C#N)c2)nc1-c1ccccc1 461477133 DBFYSWSBYSPZAI-UHFFFAOYSA-N 443.528 5.135 30 20 IKED C[C@@H](Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)C(=O)Nc1ccccc1C#N 463403863 JFINPTSWLZGOCX-CQSZACIVSA-N 436.874 5.042 30 20 IKED N#C[C@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1cc(C(F)(F)F)ccn1 464464587 DPANUROMJPHRAI-IBGZPJMESA-N 433.389 5.912 30 20 IKED COc1cccc([C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c2ccccc2Cl)c1 466055786 ZTRXTVBUBPEYIS-RUZDIDTESA-N 447.966 5.930 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(Br)s1 468179635 NXHQYWOZUYGFRY-GFCCVEGCSA-N 428.311 5.061 30 20 IKED C[C@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(OCC2CC2)c(F)c1 469418047 MDILVQKYCQPYJT-NSHDSACASA-N 442.375 5.202 30 20 IKED C[C@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C[C@@H]1n1ccnc1 469697162 DZDYASOGWSUCCB-JTSKRJEESA-N 449.942 5.102 30 20 IKED Cc1ccc(F)cc1-c1nnc(NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)s1 471378361 SFDIYSLRBMIKLY-UHFFFAOYSA-N 442.360 5.001 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1 477107680 LFODYVXFWVRGED-LJQANCHMSA-N 436.577 6.235 30 20 IKED Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 480018256 LGMKJJGZVSQPMG-UHFFFAOYSA-N 441.531 6.090 30 20 IKED C=C(C)[C@@H](NC(=O)Nc1ccc(OC)c(Oc2ccc(C)nn2)c1)c1ccc(F)c(F)c1 480897652 FRTBIZKTUVXHMC-JOCHJYFZSA-N 440.450 5.303 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCc1ccc(OC)c(Br)c1 481372327 OJWAEUNSSNQIKK-UHFFFAOYSA-N 446.370 5.107 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)N[C@@H](c3ccc(Cl)cc3)C(F)(F)F)CC2)cc1 482335403 SVGGCUNYLJCYJF-IBGZPJMESA-N 437.849 5.068 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 482403315 UDIVHIVCFBHCBX-GOSISDBHSA-N 441.375 5.578 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccccc3CN3CCSCC3)c2)cc1 483499220 ZMQQXEMUKIDXNE-UHFFFAOYSA-N 429.545 5.152 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(C(=O)Nc4ccccc4)cc3)c2)cc1 483641211 JHGXYMDOZYEMMO-UHFFFAOYSA-N 433.467 5.855 30 20 IKED Fc1cccc(Cc2noc(CN[C@@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)n2)c1 488172579 SCPZZAYQXZHRMU-KRWDZBQOSA-N 433.327 5.212 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1SCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 488749535 RZFUXPOBHOSXJZ-UHFFFAOYSA-N 440.661 5.663 30 20 IKED Cc1ccc(C[C@H](C#N)Sc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)cc1 489663532 WDOWQJGPOSBVCO-OAQYLSRUSA-N 434.952 5.775 30 20 IKED C/C=C/c1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 489943282 AMTUUIRJZLCKBJ-QHHAFSJGSA-N 427.529 5.574 30 20 IKED N#Cc1ccc(Br)c(CNc2cc(Cl)ccc2C(=O)N2CCCCC2)c1 492511956 JQTACUJKJHHPDJ-UHFFFAOYSA-N 432.749 5.212 30 20 IKED CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 503274272 HGWAAQBDFYDAMI-IIBYNOLFSA-N 444.000 5.386 30 20 IKED N#Cc1ccc(CN[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c(Br)c1 510459523 SKKQMEYFZZJWHS-HNNXBMFYSA-N 435.190 5.315 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 511400741 SLABNAAFJIOZKH-APMMTJHUSA-N 446.473 5.065 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccc(F)cc4)s3)n2)cc1 512489151 NJEMXYSPAYOTAN-SFHVURJKSA-N 429.501 6.039 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@H]2CCc3ccccc3C2)cc1 512567220 YEFHGAMTVANOOI-QFIPXVFZSA-N 427.504 5.380 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3s2)cnn1-c1ccc(Br)cc1 513656074 XIZAZVBCDBXPLX-HNNXBMFYSA-N 437.322 5.043 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 513658908 CGKNNJFWVZHBOE-AWEZNQCLSA-N 434.908 5.329 30 20 IKED C=CCn1c(Sc2nc(C)nc3sc4c(c23)CC[C@H](C)C4)nnc1-c1cccnc1 514883224 JBRJAQWWSRSSBN-ZDUSSCGKSA-N 434.594 5.115 30 20 IKED C=CCN(C(=O)c1ccc(OC(F)(F)F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 515327700 XWESBNUBBKFNBR-UHFFFAOYSA-N 449.410 5.450 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3ccccc3OCc3ccc(Cl)cc3)CC2)c1 517080156 MHVOSRLOLSLCHX-UHFFFAOYSA-N 446.934 5.474 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc2c(c1)CCC(=O)N2 518484854 HOAYQIYUEHJGMJ-MRXNPFEDSA-N 426.476 5.118 30 20 IKED C=CCOc1cccc(NC(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)c1 520265340 YSOKQCJCAOWBRU-UHFFFAOYSA-N 442.519 5.486 30 20 IKED CCOc1ccc(-c2noc(CCC(=O)Nc3ccccc3S[C@H](C)CC#N)n2)cc1 521326743 DRVUWOAUJNGFCI-MRXNPFEDSA-N 436.537 5.101 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1OCc1ccccc1 521746155 BXTMTBVYBGNYDU-LJQANCHMSA-N 431.561 5.839 30 20 IKED COc1ccc2[nH]cc(C3CCN(C(=O)CCCCOc4cccc(C#N)c4)CC3)c2c1 521960140 HLNJTPQAQAWYDV-UHFFFAOYSA-N 431.536 5.003 30 20 IKED Cc1ccc2nc([C@H]3CCCN3C(=O)c3ccc(OCc4ccccc4C#N)cc3)[nH]c2c1 522040578 HTENDQXACXLZFT-RUZDIDTESA-N 436.515 5.299 30 20 IKED Cc1cc(NC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)n(CCC#N)n1 522133982 LQDVYNDAHXTYEP-UHFFFAOYSA-N 434.496 5.535 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1 525234755 XETVZMXZOXHZJO-MRXNPFEDSA-N 425.554 5.609 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3Cn3cnc4ccccc43)cc2)c1 535968285 GMKMMXXZRTUHJV-NRFANRHFSA-N 437.503 5.397 30 20 IKED N#CC1(CCCSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)CCOCC1 540609971 IFEUEGYQULUXSW-UHFFFAOYSA-N 438.984 5.780 30 20 IKED CC[C@@](C)(COc1ncccc1Cl)NC(=O)Nc1ccccc1SC[C@H](C)C#N 541042423 MLSYJBZIWUKQHX-VFNWGFHPSA-N 432.977 5.356 30 20 IKED Cc1c(NC(=O)[C@@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cccc1[N+](=O)[O-] 542004127 CKKWJRHRXOKFIJ-QZTJIDSGSA-N 428.492 5.120 30 20 IKED C[C@@H](NCc1csc(COc2ccccc2)n1)c1ccc(-c2cccc(C#N)c2)cc1 542017062 CTCKSTCIYXZMHX-LJQANCHMSA-N 425.557 6.112 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1F)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 543827333 DOTKDGFSFULCQF-MRXNPFEDSA-N 436.327 5.469 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N(Cc3ccccc3)Cc3ccco3)n2)c(Cl)c1 543890691 OUWOKWXBCXWYGE-UHFFFAOYSA-N 431.883 5.225 30 20 IKED CC(C)CN(C(=O)C(=O)Nc1ccccc1SCCC#N)[C@H](C)c1ccccc1Cl 556525182 IPEZBKAEKIJJKH-QGZVFWFLSA-N 444.000 5.530 30 20 IKED C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1ccc(Sc2ccccc2C#N)cc1 557489812 VQRCUFOHKOCJES-QGZVFWFLSA-N 443.576 5.176 30 20 IKED C[C@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(Br)cc1F 558609126 JTAHGBOKVDEXIN-AWEZNQCLSA-N 428.305 5.020 30 20 IKED C=C[C@H](CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1C(F)(F)F)c1ccccc1 559870512 MJKLEQBNFMSJLM-QRWLVFNGSA-N 432.442 5.121 30 20 IKED C[C@@H](NCCc1cc(C(F)(F)F)ccn1)c1ccc(OC(F)F)cc1OC(F)F 559895308 XEPIFFRDNHOAMV-SNVBAGLBSA-N 426.332 5.197 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCCC[C@H]3c3cc[nH]n3)cc2Cl)c1 573688079 DFIMFQDPHXEHAN-NRFANRHFSA-N 435.915 5.273 30 20 IKED Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)N[C@H](CCCC#N)c1ccccc1 576009489 HTVMIXWEVXVBIK-RUZDIDTESA-N 441.531 5.064 30 20 IKED N#Cc1ccc(-c2nc(C3(c4cccc(Br)c4)CCOCC3)no2)cc1Cl 579697610 VKMYPZPSKILRLJ-UHFFFAOYSA-N 444.716 5.121 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ncccc4OCCCC#N)cc3)o2)c1 608868693 TVZCZRIUOVXCEI-UHFFFAOYSA-N 439.475 5.042 30 20 IKED C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)Nc1cc(C#N)ccc1OC(F)F 609080293 GDVSKGAHRZCACX-OAHLLOKOSA-N 427.476 6.016 30 20 IKED CN(C(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1)c1ccc(C#N)cc1F 609216807 PJZXKBJDNZWFIA-UHFFFAOYSA-N 439.446 5.954 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1ccc(OC(F)F)cc1 609391080 MTMNMACOCUDFMK-LSDHHAIUSA-N 436.549 6.115 30 20 IKED COc1cc(Cn2c(C(F)(F)F)nc3ccccc32)ccc1OCc1cccc(C#N)c1 609721980 MIVVQHCICYGVAK-UHFFFAOYSA-N 437.421 5.563 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@@H](c2ccccc2C)C1 610322777 ZLGDKRJLMOXGRN-RUZDIDTESA-N 427.504 5.573 30 20 IKED Cc1cc(C2CCN(C(=O)c3cc4ccccc4n3CC#N)CC2)ccc1Br 614598823 IVFQAKKUVHVTTK-UHFFFAOYSA-N 436.353 5.256 30 20 IKED C=CCC[C@H](NC(=O)N[C@@H](C)c1ccc2nc(O)[nH]c2c1)c1ccc(C(F)(F)F)cc1 676760293 AGYMPRVHJNQYSV-GUYCJALGSA-N 432.446 5.355 30 20 IKED O=C(c1cnc(-c2ccc(F)c(F)c2)s1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 679467664 LCMAHADKQOHKOF-AOOOYVTPSA-N 444.347 5.291 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 680968677 UYEIHHNKWDKKAV-KNZXXDILSA-N 433.314 5.233 30 20 IKED O=C(NCCc1ccccc1OC(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 682631275 IVTISSFHUCAOEY-ITGUQSILSA-N 448.354 5.039 30 20 IKED N#C[C@@H](C(=O)C1CCC(NC(=O)CC2CCCC2)CC1)c1nc2cc(Cl)ccc2s1 726322160 GOZUEQISYSXLMM-VJFUWPCTSA-N 444.000 5.381 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=NNc1ccc(OC(F)F)cc1 726428837 HGDAEJBHPVZEOS-UHFFFAOYSA-N 425.266 5.594 30 20 IKED N#Cc1ccc(NC(=S)Nc2cccc(COCCOc3ccccc3)c2)cc1Cl 726468067 QPFLNEMFGSVCOO-UHFFFAOYSA-N 437.952 5.616 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc2c(s1)-c1ccccc1C(C)(C)C2 726858439 LCKSBZKNUVFLHS-SFHVURJKSA-N 444.556 5.609 30 20 IKED COc1ccccc1N=C1SCCN1C(=O)c1csc(-c2ccccc2Cl)n1 727295209 LCNYHNYDPPEPCZ-UHFFFAOYSA-N 429.954 5.349 30 20 IKED C[C@@H](Sc1nnc(Cc2cccc(F)c2)o1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 727654932 XLJRAPKOEMCUKH-XWCAUFEOSA-N 437.540 5.161 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)cc(OC)c1OC 727764092 SAVXQXLQAQXXQP-XMMPIXPASA-N 431.532 5.351 30 20 IKED N#C[C@@H](C(=O)c1sc2cc(Br)ccc2c1Cl)c1nc2ccccc2s1 729889931 GAYAYKBEOPHVMX-NSHDSACASA-N 447.766 6.417 30 20 IKED COc1ccccc1C[C@H](C)CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 730690310 SLOOOBCHYBEIIV-BBRMVZONSA-N 432.467 5.769 30 20 IKED O=C(/C=C\c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(C(F)(F)F)nc1O 731564590 LUDWPXMIEWFSPD-ALCCZGGFSA-N 444.356 5.844 30 20 IKED C#CCN(C(=O)N[C@H](c1ccccc1)C1CC1)[C@@H]1CCOc2ccc(Br)cc21 733339129 QTMYVSLVXILBNF-IFMALSPDSA-N 439.353 5.069 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)/C(=C\c2ccccc2OC)c2ccccc2)c1 733773144 RIGDBAYKKKDZHB-BQHBAAMWSA-N 426.516 5.233 30 20 IKED O=C(/C=C\c1ccc(OCc2cccc(F)c2)cc1)c1ccc(N2CCC(O)CC2)cc1 734235404 MZKBVSWTQYXCGY-MLPAPPSSSA-N 431.507 5.262 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](C)c2cccc(Cl)c2Cl)ccc1OC 735581579 QBCHEWQFAOZTNB-HIFRSBDPSA-N 436.339 5.243 30 20 IKED C=CC[C@H](NC(=O)NC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccncc1 735582765 LQJZJLMXHBHJSZ-HJNYFJLDSA-N 446.517 5.100 30 20 IKED CSc1cc2c(cc1NC(=O)NCc1cccc(-c3ccc(C#N)s3)c1)OCCO2 740444984 UWHBCQQDFKVIKS-UHFFFAOYSA-N 437.546 5.102 30 20 IKED CCN(CCOc1ccc(Br)cc1)C(=S)Nc1ccc(C#N)c(Cl)c1 741868271 VZDYGPHRZBEJHO-UHFFFAOYSA-N 438.778 5.072 30 20 IKED N#CCOc1ccc(CC(=O)Oc2cccc(OCc3cccc(C(F)(F)F)c3)c2)cc1 741966632 ZHQTWVFPTXCIEK-UHFFFAOYSA-N 441.405 5.335 30 20 IKED CC(C)n1ncc2cc(/C=C3\C(=O)c4cccc(Br)c4[C@@H]3C)c(Cl)nc21 742435036 PHWNIINZFHFGFK-SHLUWWQESA-N 430.733 5.812 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2(c3cccc(F)c3)CCOCC2)cc1 743095919 NJMZDKARUJKCAH-DEOSSOPVSA-N 429.495 5.309 30 20 IKED Cn1c(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1-c1ccc(F)cc1 749163247 GAWFMUOLAFGSHE-STQMWFEESA-N 436.371 5.471 30 20 IKED O=C1C[C@@H](C(=O)O[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c2ccc(F)cc2N1 750213059 FSMTUQNCNUXJDZ-MLGOLLRUSA-N 435.295 5.117 30 20 IKED CC(C)CN(CCC#N)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 751382529 SEYVFDQHFBEABN-XMHGGMMESA-N 448.548 5.533 30 20 IKED C/C(=C\C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1OC(F)F 753204427 NGGMYMBHCYKVRT-QEFZOKHDSA-N 431.323 5.281 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(F)c(C)cc2F)[n+]2ccc(CC)cc2)c1 753974732 PQKCOYFHBAFBCY-UHFFFAOYSA-O 435.519 5.428 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cc3ccc(C)cc3o2)cs1 754824525 LIBAACAOQONDGM-YFHOEESVSA-N 436.920 6.432 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cc1 759213745 JHLMWOBELQPVBZ-XMMPIXPASA-N 439.515 5.243 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)Nc3ccc(F)cc3OCC#N)s2)cc1 761662250 BCCZQAMYEPSIPX-INIZCTEOSA-N 438.528 5.693 30 20 IKED CO[C@H](C)c1nc(C)c(C(=O)OCc2c(F)c(F)c(C(F)(F)F)c(F)c2F)s1 764903499 OJTOVYVFKBXDBA-ZCFIWIBFSA-N 431.329 5.091 30 20 IKED C[C@H](N[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21)c1ccc(C#N)cc1 769698770 WNFQIEBIEPMVIF-DOPYIHRPSA-N 433.552 5.112 30 20 IKED C[C@@H](ON=C(N)c1ccc(NC(C)(C)C)cn1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 774773958 APLAFFYJIZSZJV-LLVKDONJSA-N 449.342 5.047 30 20 IKED N#C[C@H](C(=O)CCCCCc1ccc(F)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 778598954 MDQVIXFMZYXXBB-GOSISDBHSA-N 437.540 5.394 30 20 IKED N#CCCCOc1cccc(NC(=O)C(=O)Nc2ccccc2SCc2ccccc2)c1 783306984 STHYORATEFNRGB-UHFFFAOYSA-N 445.544 5.239 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 784690632 RNBKGZDQZNMUGG-UHFFFAOYSA-N 443.507 5.317 30 20 IKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc(C(F)(F)F)c1F 785880896 RJKPWDOOAIJETD-ZDUSSCGKSA-N 446.372 5.429 30 20 IKED N#C[C@H](C(=O)c1ccn(CC(F)F)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 789404194 CQWRBYUWURHMIJ-LLVKDONJSA-N 427.263 5.069 30 20 IKED N#C[C@H](C(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1)c1cnc2ccccc2n1 792101739 UCPDBOCCYTZWJW-XDHUDOTRSA-N 431.467 5.618 30 20 IKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC[C@@H]2c2nc(C)no2)c1=S 795751661 GMMBNKKVRDZFDS-LJQANCHMSA-N 438.601 5.051 30 20 IKED C[C@H](NC(=O)Nc1ccc(F)c(N2CCOC2=O)c1)c1ccc(-c2cccc(C#N)c2)cc1 797662368 CQCANNQGMIBMSJ-INIZCTEOSA-N 444.466 5.204 30 20 IKED N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 798216291 MBPVRFHGLNLXJY-QFIPXVFZSA-N 431.845 5.127 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3C[C@H](c4ccccc4)OC3=O)cc2Cl)cc1 809619695 FORJIISKTPTAAR-DENIHFKCSA-N 432.863 5.247 30 20 IKED CC(C)(C)OC(=O)N1CCOc2ccc(NCc3cccc(OCCCC#N)c3)cc2C1 812784925 OJOXFUSGEAEMPH-UHFFFAOYSA-N 437.540 5.111 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccccc2)[C@@H](O)c2ccccc2)cc1 814576753 GUGZTSCHORIJOA-IARZGTGTSA-N 447.538 5.938 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc(Br)c2ccccc2c1 815907427 AIFSWAXLXQKRRT-OAHLLOKOSA-N 427.685 5.217 30 20 IKED O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H](c1nccs1)C(F)(F)F 818321245 FASHYDWIBHZKKG-YYRQZUAOSA-N 448.310 5.614 30 20 IKED C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2cccc(CN3CCCCC3)c2)no1 904441078 ZGYPVGDMEVLPCR-IBGZPJMESA-N 446.979 5.431 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(Br)ccc2F)cc1 915353282 MOUWGXNCKHTLQZ-FQEVSTJZSA-N 438.300 5.565 30 20 IKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C1CC1 916215401 GCHNPVRLNLZXMF-KRWDZBQOSA-N 448.375 5.425 30 20 IKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cccc(OCc2cccs2)c1 916946578 YUSRCZMCMDFWME-LJQANCHMSA-N 445.327 5.595 30 20 IKED CCOc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccc([C@H](C)CC)cc3)cs2)cc1 916951600 ZHVGZJQSJNSISC-IIBYNOLFSA-N 447.560 5.683 30 20 IKED COc1ccc(S[C@@H](C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917044717 UFKNXMILCRBBNU-NHYWBVRUSA-N 436.480 5.681 30 20 IKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)N2CCSC2=Nc2cccc(Cl)c2C)cc1 917564513 DERYOTSXTPUDHH-AWEZNQCLSA-N 448.013 5.351 30 20 IKED COc1cc(C#N)cc(Cl)c1OC(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C 917602410 XMSDWCHQBDWQOH-UHFFFAOYSA-N 444.871 5.201 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 919911446 LYIMRZWIBJAYIE-UHFFFAOYSA-N 445.519 5.034 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(OCc2ccccc2C#N)cc1 920106162 SWXOKBRINMIEGV-QHCPKHFHSA-N 433.467 5.132 30 20 IKED C=CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1OC 920143630 YZEDQMDUVVCPPZ-FXVWLTTGSA-N 441.512 5.145 30 20 IKED CCOc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920806193 INCLDVURNYGICQ-KRWDZBQOSA-N 442.487 5.522 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)OC[C@@H](C#N)Cc3ccc(F)cc3)c12 920877168 GBHUVDLKLBOTDX-GOSISDBHSA-N 436.531 5.297 30 20 IKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3c(F)cc(Cl)cc3Cl)CCC2)cc1 1787889078 HUOHZGSSDBLNID-UHFFFAOYSA-N 434.298 5.184 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5cc[nH]c5c4)cc3)CCC2)c1 1788913560 FKCATLUINOLHPL-UHFFFAOYSA-N 434.499 5.101 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCc4ccoc4C3)CCC2)cc1 1789449137 OBHNHLHWCHMMNF-NFBKMPQASA-N 432.564 5.287 30 20 IKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)C3=COCCC3)CCC2)cc1)c1ccccc1 1789600332 HVNGPKROYOOYMA-VWLOTQADSA-N 442.559 5.012 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(-c4cccnc4)cc3)cc2)CCC1 1790591859 WBRANHQTZPADKL-UHFFFAOYSA-N 437.543 5.300 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cccc4ccncc34)cc2)CCC1)C(F)(F)F 1790859976 TUKVSHQSUNIOHM-UHFFFAOYSA-N 439.437 5.101 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/Sc1ccc(C)cc1 1798390442 OPVCRKBRDDGZPB-WBTGWBBHSA-N 426.626 5.231 30 20 IKED C=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)C1 1799144792 BQMYBRXTLUOMBD-ACDBMABISA-N 445.588 5.114 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3sccc3[nH]2)[nH]n1 1819307742 YJTLTODPIBPDMI-KXBFYZLASA-N 437.569 5.027 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC(F)(F)F)CC1 1824140058 WFMKGDYDARYZHY-FQEVSTJZSA-N 428.539 5.107 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)c(C)c2)CC1 1830564756 MEXVGPUYEIODMY-XMMPIXPASA-N 426.576 5.136 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C(F)(F)F)coc2C)CC1 1831370389 MCDJUQMVQSTQEF-HNAYVOBHSA-N 440.506 5.052 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H](C)c2ccccc2)CC1 1831507067 MXVGJCRJXYEDLR-DNRSQYFGSA-N 436.640 5.568 30 20 IKED O=C(/C(=C(\S)Nc1ccccc1F)[n+]1ccc2c(c1)CCCC2)c1ccc2c(c1)CCC2 11171331 ZUWQAFWGQQNTCF-UHFFFAOYSA-O 445.583 5.532 30 20 IKED N#Cc1c(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)sc2c1CCC2 21106213 FSDOKNOFVMTCMX-UHFFFAOYSA-N 436.920 5.010 30 20 IKED C[C@H](Sc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)C(=O)Nc1ccccc1C#N 21459733 VFZXTXDTTOEXQI-INIZCTEOSA-N 443.507 5.064 30 20 IKED Cc1cccc(Nc2nnc(S[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)s2)c1 23356614 XSTHDRGNZGACAX-OAHLLOKOSA-N 441.557 5.157 30 20 IKED N#CCSc1ccccc1NC(=O)COc1ccc2cc(Br)ccc2c1 23515029 WGCIRDRTCNTVRD-UHFFFAOYSA-N 427.323 5.235 30 20 IKED CCOc1ccc(-n2c(S[C@@H](C#N)Cc3ccc(C)cc3)nnc2-c2ccncc2)cc1 24849910 IIGGUYVLYQVYPF-HSZRJFAPSA-N 441.560 5.263 30 20 IKED C=CCn1c(SCc2coc(-c3cccc(F)c3)n2)nc2sc3c(c2c1=O)CCC3 26022679 TZOKKRQTZDUBOF-UHFFFAOYSA-N 439.537 5.219 30 20 IKED C=C(C)CN/C(S)=C(/C(=O)c1cc2ccccc2o1)[n+]1ccc(Cc2ccccc2)cc1 27311671 VSPZGEDRPOGSLM-UHFFFAOYSA-O 441.576 5.416 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1 72028039 NDRPOEILCHCKEW-UHFFFAOYSA-N 444.494 5.933 30 20 IKED COc1cc(C)ccc1C(=O)/C=C\c1csc(N(C(C)=O)c2ccc(F)cc2F)n1 96930514 LOCQZOXURFYCBK-TWGQIWQCSA-N 428.460 5.319 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)cc1 111184542 FKXBAJVKVMELTC-UHFFFAOYSA-N 432.524 5.138 30 20 IKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3sc4c(c3C#N)CCCC4)c12 248015259 KJRFETHEOZMRTP-UHFFFAOYSA-N 433.562 5.070 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2SCCC#N)cc1NC(=O)c1ccccc1F 303307429 PZUUTQWEUCJYEN-UHFFFAOYSA-N 433.508 5.645 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cc(Br)cc(Br)c2)s1 430605995 UEMFRSSDAVAQPC-GFCCVEGCSA-N 442.176 5.456 30 20 IKED N#CCCC[C@H](c1ccccc1)N1C(=O)[C@H](c2ccc(Cl)cc2Cl)N(C2CC2)C1=O 432029077 AKGVKKVPUNTJLL-RTWAWAEBSA-N 442.346 5.896 30 20 IKED C=CCC[C@H](NC(=O)C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1)c1ccccc1 435284392 HJFYTVHWIJMIAX-QFIPXVFZSA-N 440.971 5.025 30 20 IKED CC(C)n1ncc2c(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc(-c3ccccc3)nc21 436352357 NCZHMFUTXPGSNY-JYFHCDHNSA-N 449.558 5.591 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)on2)c1 436442286 AEPGDBFDROFYSO-UHFFFAOYSA-N 442.862 5.371 30 20 IKED CC(C)COc1ccc(NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1Cl 437427161 KKZRZKKWQPMLIC-OAHLLOKOSA-N 445.972 5.346 30 20 IKED CCCc1c(NC(=O)NCc2cccc(-c3cccnc3)c2)cnn1-c1cccc(C#N)c1 439696353 SAKYLYULPKPLNQ-UHFFFAOYSA-N 436.519 5.080 30 20 IKED CCCc1c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)F)cnn1-c1cccc(C#N)c1 440101329 SZPDERQBLSCPPN-RTBURBONSA-N 436.462 5.040 30 20 IKED CC(C)N(Cc1cc(Br)ccc1F)C(=O)N[C@H](CCC#N)c1ccccc1 440245581 QZNBHAWMXXTCJD-HXUWFJFHSA-N 432.337 5.553 30 20 IKED CN(C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[C@H](c1ccc(Cl)cc1)C1CCCC1 440246474 WHFQQFXYXHGYFB-FQEVSTJZSA-N 430.335 5.193 30 20 IKED N#Cc1cccc(OC2CCN(Cc3ncc(-c4cccc(Br)c4)o3)CC2)c1 441475190 PRPMJUIESATYKN-UHFFFAOYSA-N 438.325 5.019 30 20 IKED CC[C@H](C)[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1 442156851 CPWNDFSODIPDRG-GCKMJXCFSA-N 444.000 5.576 30 20 IKED N#CCCCn1cc(C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)c2ccccc21 444141036 NZDVSQHHXGKDHO-UHFFFAOYSA-N 447.542 5.273 30 20 IKED CSc1nc(O)c(C(=O)Nc2ccc(Cl)cc2-c2ccccc2Cl)cc1C#N 447625097 VWAVWAOIXHANLE-UHFFFAOYSA-N 430.316 5.607 30 20 IKED Cc1ccc(NC(=O)N(CCC#N)CC2CC2)cc1Oc1ncccc1Br 448082829 XMUMRADPSDCXAE-UHFFFAOYSA-N 429.318 5.102 30 20 IKED C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H]1c1ccc(COC)o1 460375605 LVQJLJAANBBFHG-QFIPXVFZSA-N 436.556 5.131 30 20 IKED C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H]1c1cccc(Cl)c1 460556628 SYIRZZMTABQRGU-HXUWFJFHSA-N 446.942 5.165 30 20 IKED C=CCN(C(=O)c1ccc2c(c1)CCCCC2=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 463098667 YYPMEJVWVYEKDN-UHFFFAOYSA-N 447.516 5.460 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](C)CC(=O)c1ccccc1F 463622520 LXBYXNDTVURMTA-AWEZNQCLSA-N 436.296 5.151 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)c1 464255549 DXMZISQHXKSURK-MRXNPFEDSA-N 428.875 5.724 30 20 IKED CC[C@@H]1Oc2cc([C@H](C)NC(=O)Nc3ccccc3S[C@@H](C)CC#N)ccc2NC1=O 467704453 FMULTKIYLQCMJR-DOXZYTNZSA-N 438.553 5.073 30 20 IKED N#C[C@@H]1N(C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)CCC[C@]12CCCCO2 468127269 AKIXMZDWNQJXOG-RPLLCQBOSA-N 445.538 5.360 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Nc3cc([C@@H]4CCCO4)[nH]n3)cc2Cl)c1 471274013 SXPGJZPCJXXVHZ-FQEVSTJZSA-N 437.887 5.009 30 20 IKED CN(C(=O)c1ccc(NCc2nnc(-c3cccc(C#N)c3)o2)cc1Cl)C1CCCCC1 471613167 WFFXOMSUJBZCFM-UHFFFAOYSA-N 449.942 5.278 30 20 IKED C[C@@H](Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1)c1ccccc1 472531657 CVMJENONWUWOQS-VGSWGCGISA-N 425.513 5.835 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@H](c1cccc(Cl)c1)c1ccccn1 473875540 NYBJCHGYHZSNAU-OAQYLSRUSA-N 443.856 5.194 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(COc3ccc(Br)cc3)o2)n1 474435628 VUWHVGAZBIAEOS-INIZCTEOSA-N 445.338 5.691 30 20 IKED C[C@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1cccc(NC(=O)Cc2ccccc2F)c1 474906198 KPTTWFYLKGOXMZ-UGKGYDQZSA-N 443.522 5.272 30 20 IKED N#CC[C@H](CC(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1)c1ccccc1 475164347 NANXEGRFSZWYOT-GOSISDBHSA-N 432.911 6.010 30 20 IKED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)cc1 481029734 BISVVSJFPINROK-IERDGZPVSA-N 445.972 5.175 30 20 IKED COc1cc([C@H](C)N[C@H]2CCCCc3cc(C#N)ccc32)ccc1OCc1ccncc1 481914386 KOUGBDCQFNUCHF-DFBJGRDBSA-N 427.548 5.659 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@H](C#N)c3cnc4ccccc4n3)c12 483222159 TVMAIGAEWGZDQB-QGZVFWFLSA-N 426.524 5.051 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1nccc2ccccc12 483233096 KPGLYBBFBUHQBH-NRFANRHFSA-N 448.457 5.945 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 484595158 CKSVHRUUPDIOBK-CYBMUJFWSA-N 443.450 5.121 30 20 IKED CC[C@@H](c1nnc(SCc2ccccc2C(C)(C)C#N)n1-c1ccc(OC)cc1)N(C)C 487493237 SGAOFNBKLJWSDJ-QFIPXVFZSA-N 449.624 5.382 30 20 IKED O=[S@](Cc1ccc(OCC(F)(F)F)cc1)Cc1cc(F)c(C(F)(F)F)cc1F 488734589 AUSMCTBXLZFEQK-MUUNZHRXSA-N 432.332 5.374 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@@H](c2ccccc2)C2CCCC2)nnc1-c1ccncc1 489397562 XNMOBMPTYPIAIT-QHCPKHFHSA-N 447.608 5.056 30 20 IKED Fc1ccc(-c2noc(CN[C@H](c3ccccc3OC(F)F)C(F)(F)F)n2)cc1F 491356936 SZTLSGKHUGRXHN-OAHLLOKOSA-N 435.299 5.009 30 20 IKED N#Cc1ccc(N2CCC[C@@H](N[C@@H](c3cccnc3)c3cc4ccccc4o3)C2)c(F)c1 498934669 SNFIEROEJDCGTF-RLWLMLJZSA-N 426.495 5.187 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(COc3cccc(F)c3)c2)cc1 502269255 IDNPCRXGTRWQCT-UHFFFAOYSA-N 434.471 5.356 30 20 IKED CCCN(C(=O)CCc1c(C)nn(CCC#N)c1C)[C@H](C)c1ccc(Cl)c(Cl)c1 502793219 SJIKULVTNNQKHE-MRXNPFEDSA-N 435.399 5.653 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)n1 505684291 VYEKAZGKVQSKNY-IBGZPJMESA-N 441.512 5.334 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)c1C#N 505735804 IMVQVPLYFVUWNJ-UHFFFAOYSA-N 443.454 5.009 30 20 IKED Cc1ccc(C(=O)Nc2cc(C#N)ccc2OC(C)C)cc1NC(=O)c1ccccc1F 509588722 QDZQKZYLWDGHCR-UHFFFAOYSA-N 431.467 5.298 30 20 IKED CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=O)c1cc(C#N)ccn1 510136499 SLIZIVIYHROITO-JOCHJYFZSA-N 439.437 5.254 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 512514019 LINQUZQRNMOWKW-OAHLLOKOSA-N 449.370 5.259 30 20 IKED N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1ccc(C(F)(F)F)cn1 513191642 RQVBUGVYEVNBAD-QGZVFWFLSA-N 427.338 5.291 30 20 IKED N#C[C@H](C(=O)c1ccccc1OCCOc1ccccc1)c1nc2ccccc2n1C(F)F 515539262 LKXNFBZPKVAUCN-LJQANCHMSA-N 447.441 5.379 30 20 IKED Cc1c(Br)c2ccccc2n1CC(=O)Nc1ccccc1S[C@@H](C)CC#N 517522744 WDOSCHLRDOVOFZ-AWEZNQCLSA-N 442.382 5.745 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccccc1C(=O)Nc1ccccc1 518652825 FTWMQLDRNIAQCK-GOSISDBHSA-N 445.544 5.351 30 20 IKED C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccccc1SC[C@H](C)C#N 518668438 CKMBIFCUFNTFTA-OLZOCXBDSA-N 437.334 5.246 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2F)cc1 522605530 HGFDQXAZENRDHR-NZQKXSOJSA-N 435.449 5.243 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(OCc2cccnc2)c1 523504250 MNFUKRXNXFWSCZ-UHFFFAOYSA-N 428.410 5.497 30 20 IKED N#C[C@H](C(=O)c1oc2ccccc2c1CSc1ncccn1)c1nc2ccccc2o1 523963404 KOIJHDGEHXWZPF-OAHLLOKOSA-N 426.457 5.146 30 20 IKED C[C@@H](c1cccs1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524441668 VULIWHDZWNIDNO-HNNXBMFYSA-N 425.941 6.077 30 20 IKED COc1cc2nc(C)sc2cc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 524502561 PATDAQFIEQXJHI-UHFFFAOYSA-N 429.501 5.316 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 524566168 PGHZVYYBJAOWOZ-OALUTQOASA-N 435.618 6.795 30 20 IKED CC(C)(C)Cc1nc(-c2cccc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)c2)no1 524646695 ZNUXWDFNRALEKH-SFHVURJKSA-N 442.441 5.339 30 20 IKED C=CCN(C(=O)[C@@H](C)c1ccc(F)c(F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 525632644 YJYVVBJYZYQHLQ-ZDUSSCGKSA-N 429.448 5.319 30 20 IKED N#Cc1cccc(CC(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 531145755 YPLKIHFTAVMHKZ-UHFFFAOYSA-N 438.409 5.402 30 20 IKED CCc1nc(C)c([C@H](C)N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)s1 533295433 ZVZYGXVZBLJWON-KRWDZBQOSA-N 427.618 5.051 30 20 IKED C=CCC[C@@H](NC(=O)C1CCN(c2ccncc2C)CC1)c1ccc(C(F)(F)F)cc1 533534885 FZMXDGZRGRSKBZ-OAQYLSRUSA-N 431.502 5.449 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)n1 534714771 ASCNQOOHIKUIKC-AWEZNQCLSA-N 447.486 5.479 30 20 IKED C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 536854536 VKPZXUCEGNVBBR-PXAZEXFGSA-N 436.371 5.845 30 20 IKED CCN(C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccc(C#N)c(Cl)c1 538074043 SFVUQFLMTYLJLA-OAHLLOKOSA-N 449.898 5.355 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 539151686 QTNOKRMTULVQDM-ORPRQENYSA-N 433.936 5.525 30 20 IKED CC(C)c1ccc(CSc2nnc(SCCCC3(C#N)CCOCC3)s2)cc1 539669010 CCNJNKIQQSOMFN-UHFFFAOYSA-N 433.668 6.146 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)Nc1ccc(O)cc1F 541169321 HKXABTRJROVCPA-UHFFFAOYSA-N 425.485 5.122 30 20 IKED FC(F)(F)c1cc([C@H](NCc2cn3ccccc3n2)C(F)(F)F)cc(C(F)(F)F)c1 542122423 CNPMMUNMDLVYGU-HNNXBMFYSA-N 441.297 5.765 30 20 IKED N#Cc1ccc(Oc2ccc(-c3nc(Cc4csc(-c5ccccc5)n4)no3)cc2)nc1 546955889 IMSUGTQXVBLRQI-UHFFFAOYSA-N 437.484 5.510 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](c2cccc(F)c2)C1 549653978 GSCCEIUZEQUIJZ-XWGVYQGASA-N 432.543 5.232 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1)C1CC1 554644653 WLINXTADCWWWDG-UHFFFAOYSA-N 441.556 5.618 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@H](CC(F)(F)F)C1 558982652 XAKPAIDYINXJAB-IAGOWNOFSA-N 438.494 5.172 30 20 IKED COc1cccc(/C=C(\CC(=O)N2CCC(CC#N)CC2)c2nc3ccccc3s2)c1 567425929 JLVNOECZTPATJU-HMMYKYKNSA-N 431.561 5.388 30 20 IKED N#CC[C@@H](Cc1nc(-c2cc(Br)cc(C(F)(F)F)c2)no1)c1ccccc1 573605272 OPNZNYVEKNEEGN-ZDUSSCGKSA-N 436.231 5.758 30 20 IKED COc1ccc(-c2ccc(C)c(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c2)cn1 583946889 KDUHPLAKCZKZSD-UHFFFAOYSA-N 442.519 5.013 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1c[nH]c2c(C)cc(F)cc2c1=O 587383899 FLTYBLGBPYHCSL-UHFFFAOYSA-N 443.453 5.142 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)s1 602227583 QGHYVQVTFISJIP-UHFFFAOYSA-N 436.587 5.280 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)Cc1csc(NC(=O)c2ccccc2)n1 603967830 BMZTWZNIIBWOLQ-UHFFFAOYSA-N 444.541 5.177 30 20 IKED CC[C@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F 606641442 AIESBTRMPCVQGT-MAWWSGROSA-N 432.355 5.625 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(C(=O)N[C@H](C)CC)cc1C 606774792 UVRYHTPEOSQMDM-OAHLLOKOSA-N 434.458 5.359 30 20 IKED CCOc1ccc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 608785657 JBVGMOOUWXUEIX-IBGZPJMESA-N 431.511 5.569 30 20 IKED Cc1ccc(NC(=O)[C@@H]2CCc3ccccc3N2C(=O)c2cc3ccccc3n2CC#N)cc1 609216874 VDMJBCGUSFWVEE-VWLOTQADSA-N 448.526 5.074 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC(CN3CCCCCC3)CC2)cc1 609307113 QJVLQVNKMMQGQS-UHFFFAOYSA-N 435.543 5.218 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(F)c(Br)c1 609393924 DRTONLVRZMEGJM-OAHLLOKOSA-N 432.337 5.389 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](c1ccccc1)c1ccncc1 609929095 RIQNIQZMUNWPLR-MHZLTWQESA-N 448.526 5.752 30 20 IKED C=CCN(C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)c1nc(C(=O)OCC)cs1 609968878 NTWYLDCPCQZUDA-CYBMUJFWSA-N 426.460 5.051 30 20 IKED Cc1ccc([C@H](C)CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 610029909 BGBAQQUWQVVBGE-QGZVFWFLSA-N 447.922 5.171 30 20 IKED C[S@](=O)c1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 610629204 OGYRQKHADSENQA-DFXYEROKSA-N 437.952 5.055 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)CCC)cc2)nnc1-c1cccc(C)c1 612622020 KDKLVWWMUKEVNM-SFHVURJKSA-N 448.592 5.542 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 613407510 WAYRNJHXMLNLGT-HXUWFJFHSA-N 443.915 5.890 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)c1ccc(OC(F)F)cc1 642288046 VHVGTUWCXFGOJC-OAHLLOKOSA-N 429.492 5.020 30 20 IKED Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 678208331 ORHXZTNVMXBLEQ-CHWSQXEVSA-N 441.366 5.330 30 20 IKED O=C(Cc1nc(-c2ccc(F)cc2)cs1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 681245977 OKNMVFIIOJALGY-VXGBXAGGSA-N 440.384 5.081 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)nc3c2cnn3[C@@H](C)CC)cc1 726321484 KITKWLCSRAVROO-HZUJVAHNSA-N 431.540 5.185 30 20 IKED COc1ccc(C(=O)/C=C\c2c(C)nn(Cc3ccccc3Cl)c2C)cc1NC(C)=O 726427895 AKFMMDNEFGBIEK-KHPPLWFESA-N 437.927 5.065 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 731333318 XXRHWSJSTKHJQI-KZULUSFZSA-N 434.348 5.519 30 20 IKED N#CCOc1ccccc1C(=O)N1CCCc2c(NC(=O)CC3CCCCC3)cccc21 731593976 MFDKIKLZXIFDKD-UHFFFAOYSA-N 431.536 5.091 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 732494639 JQRSZKBMYNHWAU-HSZRJFAPSA-N 438.487 5.049 30 20 IKED Cc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 732899434 VLQJWUSSGDSEQP-CLJLJLNGSA-N 439.559 5.493 30 20 IKED Cc1ccc(COc2c(C)cc(CN(C)C(=O)Cc3ccc(OCC#N)cc3)cc2C)cc1 734348793 VIWRMJCRKMGUQO-UHFFFAOYSA-N 442.559 5.294 30 20 IKED CC(C)OC(=O)NCc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 735027534 NNHHTJMBHKXKIL-UHFFFAOYSA-N 443.503 5.432 30 20 IKED C[C@@H](NC(=O)COC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1cccs1 735163671 MWVROUFUHPHAHU-CQSZACIVSA-N 440.908 5.100 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccncc2)n1)c1nc2ccccc2n1C(F)F 735979105 XTYVZBKOSPDAEP-UHFFFAOYSA-N 447.371 5.138 30 20 IKED Cc1c(C#N)c(NC(=O)CS[C@@H](C)c2cccs2)n(Cc2ccc(F)cc2)c1C 737406762 SJZDLCHVYUKTPV-INIZCTEOSA-N 427.570 5.658 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)c2)s1 739594751 PYOMEPDXBQNIEZ-UHFFFAOYSA-N 449.482 5.469 30 20 IKED Clc1nc(Oc2ccccc2)sc1C=NNc1nc(-c2ccccn2)nc2c1CCC2 741810236 SYRUICBUXQWMPO-UHFFFAOYSA-N 448.939 5.376 30 20 IKED COc1ccc(/C=C(/Cl)c2nc(O)c3c(-c4cccs4)csc3n2)cc1C#N 741852093 JIQCEIKSERDSBS-RIYZIHGNSA-N 425.922 5.743 30 20 IKED C[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1C(F)(F)F 744062199 SEXAJURTTXEDKV-KSSFIOAISA-N 439.462 6.071 30 20 IKED COc1ccc(CNC(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)cc1C#N 746747678 IVCXBBXQEPTWBO-ZDUSSCGKSA-N 440.956 5.213 30 20 IKED N#C[C@H](C(=O)CSCc1cc(-c2cccs2)on1)C(=O)Nc1cccc2ccccc12 747112141 RGUJDPUYRNGDQN-GOSISDBHSA-N 447.541 5.137 30 20 IKED COc1ccccc1N=C1SCCN1C(=O)c1cnc(-c2ccccc2Cl)s1 747623687 RCXBMUWBGONVTL-UHFFFAOYSA-N 429.954 5.349 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)ccc1OCc1ccccc1 748583627 ICHAQDWADNGRRP-ZSOIEALJSA-N 443.499 5.517 30 20 IKED CCCc1nc(C(=O)Oc2c(Cl)cc(C#N)cc2OCC)nn1-c1ccccc1Cl 748610367 MVRZNCOHNZNNMA-UHFFFAOYSA-N 445.306 5.016 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 752614707 GCFXVIGTJDUZND-UZLBHIALSA-N 425.554 5.143 30 20 IKED CCCc1c(NC(=O)Nc2cc(Cl)c(N)c(Cl)c2)cnn1-c1cccc(C#N)c1 753084466 PEIVXSOVEWPRHI-UHFFFAOYSA-N 429.311 5.229 30 20 IKED CCCCCCC[S@](=O)Cc1coc(-c2ccc(I)cc2)n1 756862488 DAVOTUCRWQJQOX-QFIPXVFZSA-N 431.339 5.165 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1sc(-c2ccccc2)nc1C(F)F 762026163 PPZWNOORAREMPX-AWEZNQCLSA-N 431.851 5.362 30 20 IKED CN(CCC#N)c1ccc(CNCc2ccc(Br)cc2C(F)(F)F)cc1 763534586 IISDTOUEYBULEH-UHFFFAOYSA-N 426.280 5.108 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2nc(-c3ccc(F)cc3)cs2)cc1 772161330 IAPPXOXBYBTWDW-JOCHJYFZSA-N 427.504 5.786 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3ccccc3CSC3=NCCS3)cc2)ccn1 773472654 OFHLUTXXZREWCK-UHFFFAOYSA-N 446.557 5.334 30 20 IKED C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(F)c(F)c1 773532969 QWOCLTGDVKIZDO-JOCHJYFZSA-N 434.446 5.752 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 777831702 HQQITBAKJPMKTM-UHFFFAOYSA-N 447.491 5.007 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(-c3ccncc3)cc2)c([N+](=O)[O-])cc1OCC(F)F 778517989 BIWRLQVAAQBPQG-VOTSOKGWSA-N 440.402 5.205 30 20 IKED C=CCN(C(=O)c1ccn(CC(F)F)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 790675591 PENGCIZXSJVNRM-UHFFFAOYSA-N 443.306 5.411 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CCC(F)(c3ccc(Cl)cc3)CC2)c1=S 799146090 XUVWMQDHBKXROL-UHFFFAOYSA-N 443.979 5.234 30 20 IKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(CC)C1=O 799219343 QIIYGBCZHCMILW-IBGZPJMESA-N 445.972 5.109 30 20 IKED Cc1c(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)sc2cc(F)ccc12 805706013 AYHJDSPNJKMIBH-ZDUSSCGKSA-N 442.537 5.539 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc2c(c1)CCCCC2=O 810529166 AMFLYAQACRDFPS-JOCHJYFZSA-N 438.483 5.349 30 20 IKED N#Cc1ccc(/C=C\C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)c(C(F)(F)F)c1 811692667 YGYJGFZCDWXMDZ-XFXZXTDPSA-N 433.451 5.189 30 20 IKED C[C@@H](CC(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl)c1ccc(F)c(Br)c1 813077960 CYUSHAXAFJMDPX-VIFPVBQESA-N 440.656 5.154 30 20 IKED COc1ccc(-c2nc(SCc3c(C)cc(C)c(C(C)=O)c3C)nc(O)c2C#N)cc1 824954834 SWKJQKYCQYZZRW-UHFFFAOYSA-N 433.533 5.150 30 20 IKED COc1cccc(CCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1OC 915105045 YIKJFBDEFGDMJV-CQSZACIVSA-N 434.439 5.141 30 20 IKED N#C[C@H](C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1ccc2ccccc2n1 916848516 LFYALJRPAZELLQ-GHTZIAJQSA-N 438.314 5.023 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)c1 916898208 YDICBWXSCZFVIV-KRWDZBQOSA-N 448.935 5.318 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 916903476 OPTCGVRFZQIETK-QYQIINSRSA-N 446.547 6.040 30 20 IKED CCCC(=O)N1CCC[C@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 918488550 BSXOKMBFAAEWRD-YOEHRIQHSA-N 436.364 5.084 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\Cc3c(Cl)cccc3C2=O)cs1 921263920 KZNVJJLJDFLEHC-UKTHLTGXSA-N 429.328 5.957 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4cnccc4n3)CCC2)cc1 1785841975 JBGVVWCBVKRGLB-UHFFFAOYSA-N 442.563 5.370 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(F)ccc3Cl)CCC2)cc1 1786367544 UGESFCOFSBQEAS-UHFFFAOYSA-N 444.934 5.210 30 20 IKED C/C(=C\c1ccc(C)o1)C(=O)NC1(c2ccc(NC(=O)[C@H](S)C(C)C)cc2)CCC1 1786393816 MCTCALCIEXATBB-DGWAXEAPSA-N 426.582 5.080 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccn4ccnc34)cc2)CCC1 1789311198 WDNGLOLWXFAXDN-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4cc(Cl)ccc34)CCC2)cc1 1791250382 QJWLASMLPBRAGL-OAHLLOKOSA-N 436.943 5.176 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ccc4nc(C)ccc4c3)CCC2)cc1 1791298573 CWSQLPVENOCVMP-UHFFFAOYSA-N 449.501 5.502 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1 1797777666 YRZUZXQYLFKOAY-YHINDDMVSA-N 429.004 5.074 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc4nc(C)ccc4c3)CC2)C1 1805456754 FUWGDZCOEDREEO-UHFFFAOYSA-N 445.607 5.156 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCC(F)(F)CC2)CC1 1824329834 QAUCNYNXVVCQIY-NRFANRHFSA-N 438.603 5.424 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1831369045 BABPCGIYDBGZFJ-GAJHUEQPSA-N 442.003 5.267 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 1831374604 GFJLIXSBPWWZDZ-UTKZUKDTSA-N 436.518 5.151 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ccccc23)CC1 1831446233 WUDKNQYPRJVJPY-HSZRJFAPSA-N 440.534 5.285 30 20 IKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(Cc3cccc(F)c3)c2)CC1 1831862056 MYVRSFSBIUFACD-SANMLTNESA-N 448.582 5.226 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCc3ccccc32)CC1 1831974778 OVYJTNXJEXRTIB-FTJBHMTQSA-N 434.624 5.105 30 20 IKED C[C@@H](C#N)Sc1nc2ccccc2c(=O)n1-c1cc(C(F)(F)F)ccc1C(F)(F)F 8750876 NTJUQFCESWXGRE-JTQLQIEISA-N 443.372 5.427 30 20 IKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc3c(c2)CCCC3)c1 10167359 JGFXQLOSALUKOX-UHFFFAOYSA-O 437.535 5.490 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cccc3ccccc23)c1 11126750 JFGSAANXKSBLSH-UHFFFAOYSA-O 433.503 5.765 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2ccc(C)c(F)c2)cc1 14872497 BXADYXFAULZMHR-UHFFFAOYSA-O 449.615 6.350 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2cccc(CC)c2)cc1 15247809 TXCLNANOMOPWRF-UHFFFAOYSA-O 433.597 5.549 30 20 IKED CC(C)OCCCn1c(NN=C2c3ccccc3-c3ccccc32)nc2ccccc2c1=O 19333196 LFDIRPNQAMXDSG-UHFFFAOYSA-N 438.531 5.057 30 20 IKED CCc1cc(C#N)c(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)s1 65067610 AVHPOBLAVYVNHJ-UHFFFAOYSA-N 442.544 5.225 30 20 IKED CSc1ccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1[N+](=O)[O-] 195586661 LSSHAVDWGQVTSF-UHFFFAOYSA-N 435.480 5.170 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2)c2ccccc2)nnc1-c1ccccc1F 217067857 WOLWJYIXTSSWEZ-QFIPXVFZSA-N 444.535 5.742 30 20 IKED Cc1csc(Sc2ccc(NC(=O)N[C@H](CCCC#N)c3ccccc3)c(C)c2)n1 432838421 AGOCHNMJNVAZIY-OAQYLSRUSA-N 436.606 6.468 30 20 IKED N#CCCC[C@H](NC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1ccccc1 433164743 ADPGUDSZZJJOPD-UKJJDJLKSA-N 445.588 5.692 30 20 IKED Cc1nc(NC(=O)CCSc2ccnc3cc(Cl)ccc23)sc1SCC#N 433861825 FWIMSTMKGMWCRC-UHFFFAOYSA-N 434.999 5.390 30 20 IKED CC(C)[C@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccnc1 435131062 AXLMLRWSQTYPCW-QFIPXVFZSA-N 432.499 5.233 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nc(C2CCCCC2)no1 438050768 FERYKZDXCNAUBX-INIZCTEOSA-N 431.496 5.664 30 20 IKED CC(C)c1cnc(-c2ccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2)o1 438496985 ALYVBZPOAAYHNI-UHFFFAOYSA-N 430.508 5.412 30 20 IKED N#Cc1ccc(CSc2nnc(-c3cnccn3)n2-c2ccc(Cl)cc2)c(Cl)c1 438898110 SBEMTFQTWQOAOJ-UHFFFAOYSA-N 439.331 5.195 30 20 IKED CCCc1c(NC(=O)Nc2cc(Cl)c(OC)cc2OC)cnn1-c1cccc(C#N)c1 438911709 LQXYARQRTRESMZ-UHFFFAOYSA-N 439.903 5.011 30 20 IKED CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 438939543 SNIGDEYRGAKJPT-UHFFFAOYSA-N 439.515 5.405 30 20 IKED N#Cc1cccc(C(=O)CSc2nnc(Cc3cccs3)n2CCc2ccccc2)c1 439040667 OIBIEQYEJLITOZ-UHFFFAOYSA-N 444.585 5.020 30 20 IKED COCc1nc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c(-c2ccccc2)s1 442528929 ODWJSOZVKJGTTR-CQSZACIVSA-N 439.949 5.710 30 20 IKED N#CCCn1cc(/C=C/c2nc(CC(=O)Nc3cccc4ccccc34)no2)c2ccccc21 445338986 DGYXCTMMROMDDL-BUHFOSPRSA-N 447.498 5.443 30 20 IKED Cc1cc(-c2nnc(N3CC=C(c4ccc(C#N)cc4)CC3)n2Cc2cccs2)c(C)o1 461498247 NPCMYQBYDSQCLI-UHFFFAOYSA-N 441.560 5.430 30 20 IKED CCOC(=O)c1cccnc1SCc1ccc(OCc2cccc(C#N)c2)c(OC)c1 463198999 OOJACDYWOIMOLH-UHFFFAOYSA-N 434.517 5.010 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)Nc2cccc(C3CCC3)c2)cc1F 464103187 FGDDEJXBGRNLIE-UHFFFAOYSA-N 429.451 5.334 30 20 IKED COc1ccc([C@H](NC(=O)NCc2cc(C#N)ccc2F)c2ccccc2Cl)c(C)c1 466197559 SAHSAJOTACJHAY-QHCPKHFHSA-N 437.902 5.257 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)nnc1-c1ccco1 466748526 YSNPFIQQLFZRBF-LLVKDONJSA-N 448.335 5.934 30 20 IKED CC(C)(C)[C@@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1F 468532022 XWXLQEFNZJFLSO-ZDUSSCGKSA-N 432.355 5.578 30 20 IKED N#CCCCN1C(=O)CCc2cc(NCc3cc(Cl)ccc3Br)ccc21 469141189 IUDRTSJFPQMETG-UHFFFAOYSA-N 432.749 5.298 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc2nnc(C(C)(C)C)n2c1 469706227 QZGBYEDIRFZYAF-UHFFFAOYSA-N 425.492 5.252 30 20 IKED Cc1c(NCC(C)(C)C)cccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 471449837 DHOXVBLFUQCXKG-UHFFFAOYSA-N 432.568 5.288 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)C2)n1 471808445 GOCSKASXJMDBGF-WIYYLYMNSA-N 443.378 5.149 30 20 IKED N#CCc1ccc(NC(=O)N[C@H](Cc2ccccn2)c2ccc(Br)cc2)cc1 473961947 FDWVIIMKZHWMSG-OAQYLSRUSA-N 435.325 5.016 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC2(CCN(Cc3ccccc3)C2)CC1 475549517 QCYDHVJZQNRDGP-UHFFFAOYSA-N 431.624 6.059 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C 476080866 RDDFTUYMZZAPON-UHFFFAOYSA-N 445.489 5.183 30 20 IKED COCCN(Cc1ccc(C#N)cc1)Cc1cc(-c2c(OC)ccc3ccccc23)no1 480685041 ZTGROXACFSTTAZ-UHFFFAOYSA-N 427.504 5.024 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3c(F)cc(F)cc3-c3ccccc3)CC2)c1 483657910 VAGUSFUOJFIAKM-UHFFFAOYSA-N 433.458 5.579 30 20 IKED Cc1ccsc1-c1nnc(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)o1 488823716 MDMFVJILGFHBPD-ZDUSSCGKSA-N 430.580 5.232 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3cccs3)no2)nnc1-c1cccc(OC)c1 488895970 IOAVPFRMURCEQD-CYBMUJFWSA-N 425.539 5.105 30 20 IKED N#Cc1cc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)ccc1Oc1ccccc1 490492519 QEFYITOEMWVZTH-UHFFFAOYSA-N 440.503 5.233 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1 490769399 NSITWVQCRGNDGQ-XMMPIXPASA-N 433.552 5.005 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C 495445394 UUDDRLGYEYSDHD-NVXWUHKLSA-N 443.613 5.573 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H]4CCC[C@H]43)s2)c(C(F)(F)F)c1 496350312 URQINDLKDXAYKS-KBXCAEBGSA-N 434.487 5.421 30 20 IKED CC(C)c1nc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nn1-c1ccccc1Cl 499214387 WXIQCGWQJCDCGN-INIZCTEOSA-N 447.951 5.658 30 20 IKED Cc1ccc(-c2nc(CC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cs2)o1 501446677 CDNFISSHRDOEGI-UHFFFAOYSA-N 443.528 5.538 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c2cc(Br)ccc2n1 505322773 LEXXVSRVUNBPNE-HNNXBMFYSA-N 434.215 5.210 30 20 IKED COc1ccc(CSCC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1[N+](=O)[O-] 509659310 SZUCUWYMCKDRJW-UHFFFAOYSA-N 449.488 5.139 30 20 IKED Cc1cccc([C@@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2cccc(F)c2)c1 510926005 AQNSYVXVPQJMBW-HHHXNRCGSA-N 427.523 5.919 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H]3CCSc4ccc(F)cc43)c2)c1 511445982 PXWWMCXUXJPRTR-NRFANRHFSA-N 446.507 5.308 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)n2)cc1 512502477 ASWAHWNGIHULKB-AWEZNQCLSA-N 448.470 5.279 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1csc(-c2ccc(OC)c(OC)c2)n1 512526878 LBINEFBNDZKWKT-UHFFFAOYSA-N 426.586 5.183 30 20 IKED C[C@H](N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(C#N)cc1F 512631226 QAFSXVSYNKNINQ-WNSKOXEYSA-N 442.943 5.194 30 20 IKED Cc1ccc(C)c(Sc2ccc(NC(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2)c1 515230786 BXKPMSOSWCPHEC-UHFFFAOYSA-N 443.576 5.075 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 518667952 QVJCLZYYZCSDRV-ZDUSSCGKSA-N 425.406 6.260 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)Nc1cccc(COc2ccc(F)cc2)c1 518785534 FYKIHVNQODKYNT-UHFFFAOYSA-N 431.467 5.024 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccccc1SC[C@H](C)C#N)O[C@@H](C)C2 519424898 IPPYXLXFKQXJSJ-JMVFIXPQSA-N 436.577 5.403 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCC1(c2ccccc2Cl)CCOCC1 519450687 JCBKLSUGEBCBTR-QGZVFWFLSA-N 444.000 5.462 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl 520939226 NUZZYQGBFBOGAT-HZPDHXFCSA-N 431.964 6.112 30 20 IKED CC(C)CN(Cc1ccccc1F)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 521209960 VSXOYBCSMKRVHH-UHFFFAOYSA-N 444.510 5.640 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1)c1ccc(C#N)cc1 522493258 VIPUNKKRGKZQCR-HNNXBMFYSA-N 435.936 5.179 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(COCc3ccco3)c2)c1 522571514 ZYUJXNNZEGQANL-UHFFFAOYSA-N 428.444 5.292 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C 524077003 NOGSEZJJUYGHNO-NQIIRXRSSA-N 429.495 6.208 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cccc(OCc3cscn3)c2)cc1 524672002 MQIBRJLKGWYTLT-UHFFFAOYSA-N 445.475 5.777 30 20 IKED COc1ccccc1[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C1 534887351 NGQWSSGSTZFOEP-IBGZPJMESA-N 432.907 5.642 30 20 IKED Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(Br)c1 535112554 QWEUIFNMZJRKRG-UHFFFAOYSA-N 443.288 6.034 30 20 IKED Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N(CCC#N)c1ccc2c(c1)OCCO2 535794889 JXTMBSOBOKWJGZ-UHFFFAOYSA-N 447.560 5.109 30 20 IKED COc1ccc(CN(C)C(=O)c2ccccc2Oc2ccccc2C#N)cc1OC(F)F 539776913 OTJGBVZCFDQOGK-UHFFFAOYSA-N 438.430 5.233 30 20 IKED FC(F)(F)c1cc([C@H](NCc2nnsc2Cl)C(F)(F)F)cc(C(F)(F)F)c1 541194730 UGMFHBDJPLLOTQ-VIFPVBQESA-N 443.722 5.622 30 20 IKED O=C(c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2)N1CCC=C(F)C1 542196638 BCSFENYXTXDYDW-UHFFFAOYSA-N 447.354 5.098 30 20 IKED CN(Cc1cccc(OCc2cccc(C#N)c2)c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 544622409 ZMKBDPDYWSJYNZ-AHKZPQOWSA-N 430.523 5.628 30 20 IKED C=CCCO[C@@H](C)c1nc(-c2cccnc2Oc2ccc(C)cc2Br)no1 545837361 BYXWHDFHVKXXRI-AWEZNQCLSA-N 430.302 5.649 30 20 IKED Cc1cnc(C2CCN(c3nnc(-c4cccc(C#N)c4)n3Cc3cccs3)CC2)s1 549953894 YGFFHJUTXWQOAA-UHFFFAOYSA-N 446.605 5.076 30 20 IKED CCC(C)(C)OCc1cccc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c1C 556879267 PHBSEBBOTWPMAE-UHFFFAOYSA-N 437.559 5.566 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(C)(C)c1csc(-c2c(F)cccc2F)n1 560600840 PRNDLEHTBJXYEZ-UHFFFAOYSA-N 446.519 5.056 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)Nc1cccc2nc(O)oc12 562910919 DYQKNEOTWKPYDE-UHFFFAOYSA-N 448.504 5.124 30 20 IKED CC1(c2ccc(Cl)cc2)CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 571708449 IBUIEHWPDPOUBM-UHFFFAOYSA-N 439.962 5.147 30 20 IKED N#Cc1cc(Oc2ccc(N[C@H](C(=O)NCc3ccccc3)c3ccccc3)cc2)ccn1 571816619 PZTRQXGMPYADLM-SANMLTNESA-N 434.499 5.215 30 20 IKED CCC[C@H](NC(=O)c1ccccc1)c1noc(-c2cn(CCCC#N)c3ccccc23)n1 579056728 UMDMSFRVMBTRAW-NRFANRHFSA-N 427.508 5.266 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccncc1OCCC(C)(C)C 580797955 REQXDQGOHGJRGR-QGZVFWFLSA-N 426.586 5.470 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 584548111 JYDSCZLKBAWZDG-UHFFFAOYSA-N 429.524 5.882 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3N(C)C(=O)c3ccco3)n2)cc1 595127478 QXHILVZTTBWRAJ-LJQANCHMSA-N 441.512 5.478 30 20 IKED C=CCn1c(SCc2c(C(=O)OC)sc3cccc(F)c23)nnc1-c1ccoc1C 600857981 ZDSQSWYEWATVNF-UHFFFAOYSA-N 443.525 5.465 30 20 IKED N#Cc1ccc(CN(C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C2CC2)cc1 603508420 ZEQSVNIJGSEFQG-UHFFFAOYSA-N 441.478 5.434 30 20 IKED C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 604003793 WVJHKAJRUNGAMD-HOYKHHGWSA-N 439.515 5.178 30 20 IKED COc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc2c1OCCO2 604027287 ULSBIYCUVCXSHG-UHFFFAOYSA-N 436.851 5.036 30 20 IKED COc1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1NC(=O)c1ccc(Cl)cc1F 604073330 VFKCAPKRRXWGJZ-UHFFFAOYSA-N 438.846 5.256 30 20 IKED CCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604117903 GCVPLKFYMJYAPV-FQEVSTJZSA-N 425.916 5.124 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1cc(F)c(F)cc1Cl 605481212 GLRMVANQMIQNGE-UHFFFAOYSA-N 433.682 5.830 30 20 IKED CC[C@@H](c1ccccc1)c1nnc(S[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)o1 609019215 MJQXRJFANRNUEG-KNQAVFIVSA-N 448.592 5.656 30 20 IKED C[C@@H](NC(=O)c1cc2ccccc2n1CC#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 609165566 SBBKIBDQJSSJJT-QGZVFWFLSA-N 440.478 5.047 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1c1cccc(Br)c1 609435120 QSLNVBCJKJYDDI-DNVCBOLYSA-N 444.398 6.212 30 20 IKED COc1cc(C)c(CN(C)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1OC 609497655 UAFIAHKDNOKSLT-UHFFFAOYSA-N 430.504 5.143 30 20 IKED Cc1ccc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c(-c2nc3ccccc3[nH]2)c1 609501726 ASKYTZCQOJNBTN-UHFFFAOYSA-N 441.560 5.461 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)C3(c4cccc(F)c4)CC3)s2)c(C(F)(F)F)c1 609643439 NGYQGRGIWBRGND-UHFFFAOYSA-N 445.441 5.434 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(CSC2CCOCC2)c1 609716102 ALJFBGMPLCCTOR-UHFFFAOYSA-N 426.582 5.328 30 20 IKED Cc1cc(NC(=O)c2ccc(COc3ccccc3C#N)o2)ccc1OCC(F)(F)F 609976304 FWKDJLZDGKSZHE-UHFFFAOYSA-N 430.382 5.232 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)CSCc3ccc(C#N)cc3)s2)cc1 610050760 GPBQLHFBPALYHY-GOSISDBHSA-N 435.618 5.751 30 20 IKED N#Cc1cc(Cl)ccc1SCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 610654887 HPWRUSVFVCJSMK-INIZCTEOSA-N 427.938 5.336 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3ncc(Cc4cc(F)cc(F)c4)s3)CC2)cc1 611245396 NPISNIIOIGYAOA-UHFFFAOYSA-N 436.487 5.205 30 20 IKED N#CCCn1ncc(C(=O)Nc2cc(Br)c(F)cc2Cl)c1-c1ccccc1 617511406 DBEMBSSPDRZGPO-UHFFFAOYSA-N 447.695 5.271 30 20 IKED C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 669803379 UUKHUXBQJDQZIW-GOSISDBHSA-N 438.535 5.148 30 20 IKED O=C(NCC1(c2ccc(F)cc2)CCCC1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674455305 YQHCFPHYIPUOKL-GASCZTMLSA-N 426.376 5.020 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)Cc1c[nH]c2cc(Cl)ccc12 727706198 LPMCNXBILSLRAE-UHFFFAOYSA-N 433.689 5.002 30 20 IKED C#Cc1cccc(N(C)C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c1 728482536 WVGBPAFVESUZCF-UHFFFAOYSA-N 437.343 5.168 30 20 IKED CCN(C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 729338937 RISPSUKGWPMSRH-WMZHIEFXSA-N 435.568 5.514 30 20 IKED N#CCSc1ccccc1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 729381142 BBGMNABHIVGTKP-UHFFFAOYSA-N 429.423 5.761 30 20 IKED Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C\c1csc([N+](=O)[O-])c1 730148982 RGLMOEACTKXLCZ-SREVYHEPSA-N 435.324 5.747 30 20 IKED Cc1ccc2c(CC(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)coc2c1C 731059876 CHHJGTMKXDALDG-INIZCTEOSA-N 436.533 5.168 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1[nH]c2ccccc2c1Cl 731069613 ODQDRDIHXVFUEE-ZDUSSCGKSA-N 427.913 5.011 30 20 IKED Cn1ccnc1COc1ccc(C(=O)/C=C\c2cccc(OCc3ccccc3C#N)c2)cc1 731320695 YCTCYJQUKGUAJO-ZROIWOOFSA-N 449.510 5.346 30 20 IKED COc1cc(COC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)ccc1SC 731717014 WUQNVTUFJCIFLV-UHFFFAOYSA-N 435.549 5.168 30 20 IKED C#CCN(C(=S)Nc1c(C)cccc1C)[C@H]1CCOc2ccc(Br)cc21 733085273 BYDWEXHJKUMNAQ-SFHVURJKSA-N 429.383 5.222 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2COc2ccccc2)ccc1OC 733626815 VYBSVYQGXSHVJU-NRFANRHFSA-N 445.519 5.277 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1cccc(CN2CCOC2=O)c1 733626953 CXNWXZOVQCOEOH-UHFFFAOYSA-N 442.475 5.255 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)CCc3ncc(-c4ccccc4Br)o3)[nH]c12 735788374 JEYLCVGTNSSXBC-OAHLLOKOSA-N 449.308 5.098 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)CSCc2ccc(C#N)cc2)cc1 742888324 VJKOGOVYQZSHLE-INIZCTEOSA-N 425.554 5.016 30 20 IKED Sc1nnc(SCc2ccccc2)n1N=Cc1cc(Cl)ccc1Br 743429357 LMPKVUOBEDXVKH-UHFFFAOYSA-N 439.791 5.157 30 20 IKED Cc1ccc(Br)cc1C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 744034096 ZTNBNEPWBZNGOT-HNNXBMFYSA-N 426.097 5.026 30 20 IKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2ccc(N3CCCCC3)cc2)cc1 744806939 CNRIVROUEWNNKW-UHFFFAOYSA-N 435.597 5.142 30 20 IKED C=CC[C@H](NC(=O)N(Cc1ccccc1)[C@H](C)Cc1ccccc1OC)c1ccncc1 745826775 DIILZIIODSBASA-BWKNWUBXSA-N 429.564 5.550 30 20 IKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)n1 746083822 CQRIFFWQCAMRDO-MRXNPFEDSA-N 444.871 5.070 30 20 IKED CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 748840044 VLAMPOILVATMPB-XMHCIUCPSA-N 449.523 5.206 30 20 IKED CC(C)Oc1ccccc1CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 749047750 HDNHISOUMUTGOQ-OAQYLSRUSA-N 428.488 5.156 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)COc1cc(Cl)c(Cl)cc1Cl 749361124 RRAFCPRBGMFHEN-UHFFFAOYSA-N 434.710 5.161 30 20 IKED N#C[C@@H](COC(=O)c1csc(-c2cc(Br)cs2)n1)Cc1ccccc1 750784392 SVRDPBTVHMIHJK-ZDUSSCGKSA-N 433.352 5.173 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 758600680 COLBYKZPPQJXRQ-ZJSXRUAMSA-N 445.519 5.159 30 20 IKED Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2SC[C@H](C)C#N)c1 760151893 GRSFJFVKCPFAEJ-GOSISDBHSA-N 429.545 5.751 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccc(N3CCC(O)CC3)cc2)cc1Cl 761370059 CJYOMSQLRQRVJN-UHFFFAOYSA-N 447.922 5.217 30 20 IKED Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 762436644 CYHVWNAMSZBDRR-UHFFFAOYSA-O 428.581 5.775 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H]2CCC(F)(F)C2)cc1 763211944 IXOFWJSHTZBEGP-RBUKOAKNSA-N 443.519 5.143 30 20 IKED C=CCN(Cc1cccc(C#N)c1)Cn1nc(-c2cccs2)n(Cc2ccco2)c1=S 764931454 VEDBMTBCZLVCIV-UHFFFAOYSA-N 447.589 5.301 30 20 IKED CNC(=O)C[C@H]1SC(=Nc2cccc(C(C)C)c2)N(Cc2ccc(C(F)F)cc2)C1=O 764936553 BTYYDEZWNQOFAE-LJQANCHMSA-N 445.535 5.015 30 20 IKED C[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1ccc(Cl)c2ccccc12 765066361 FOJZIXDRUQGMBL-QRWLVFNGSA-N 426.907 5.381 30 20 IKED CC1(C)OCc2cc(C=Nn3c(S)nnc3-c3ccc(Cl)cc3Cl)ccc2O1 766007982 PMPBSDFOLSFMCY-UHFFFAOYSA-N 435.336 5.068 30 20 IKED Clc1ccc(CSc2nncn2N=Cc2ccc(Sc3ccccn3)o2)cc1 766429447 CYTAJQIOZKNWMA-UHFFFAOYSA-N 427.942 5.245 30 20 IKED C[C@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1ccc(N2CCOC2=O)cc1 769788431 WUZQNHDPSZRWOT-NRFANRHFSA-N 425.532 5.194 30 20 IKED COc1ccc([C@H](OC(=O)c2cn(CCCC#N)c3ccccc23)[C@H](C)n2cccn2)cc1 774078525 AXVNIUTYBMYKFW-UQBPGWFLSA-N 442.519 5.309 30 20 IKED CCCC(=O)Nc1ccc(OC(=O)c2cn(CCCC#N)c3ccccc23)c(C(C)=O)c1 774079327 XBOUFKRMMUDWMO-UHFFFAOYSA-N 431.492 5.105 30 20 IKED N#C[C@H](Cc1ccc(F)cc1F)OC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 774318999 BJHOKKIPPURWRR-ZDUSSCGKSA-N 439.270 5.687 30 20 IKED CC(C)[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1cccc(C(F)(F)F)c1 775332601 HUCDHMPOGJATRR-AVRDEDQJSA-N 438.453 5.229 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3c(ncn3-c3ccccc3)C2)cc1 775488707 RLKSJWNMNHPEMN-DEOSSOPVSA-N 433.515 5.118 30 20 IKED CC(C)[C@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)Nc1ccccc1C(F)(F)F 777176366 ABFKYUCZYXJVPW-IBGZPJMESA-N 430.426 5.081 30 20 IKED Cc1nc2c(s1)[C@@H](NC(=O)Nc1ccc(OCc3cccc(C#N)c3)cc1C)CCC2 780556321 WZDVNLWSJRCRSE-QFIPXVFZSA-N 432.549 5.410 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H](C)Sc1ccc(Br)cc1 780670623 MPQCTBPMPCQVDC-ZIAGYGMSSA-N 434.359 5.042 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCc3[nH]c4ccccc4c3C2=O)cs1 781551487 JVOWRSZHLVMSBB-LGMDPLHJSA-N 427.529 5.830 30 20 IKED N#CCC1CCN(C(=O)c2cc(Cl)nc(Oc3ccc(Br)cc3)c2)CC1 782056599 KXMOBJRHXHSSHM-UHFFFAOYSA-N 434.721 5.056 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCC(=O)c3ccc4c(c3)CCC4)n2)cc1 783362183 QPJBCCPWINUKBC-OAQYLSRUSA-N 425.513 5.010 30 20 IKED COCc1c(C(=O)[C@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)oc2ccccc12 787054396 VEXDVSCMIJIRCB-LRDDRELGSA-N 445.302 5.086 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)ccc21 793594774 ODEFNHOYGFTXNS-LADGPHEKSA-N 445.563 5.286 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 796795996 APLYIMPAIGOKLI-HXUWFJFHSA-N 448.404 5.005 30 20 IKED C[C@H](CC(=O)N[C@H](CCCC#N)c1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 817319038 JYXSVNDICRVELW-BAGYTPMASA-N 427.589 5.211 30 20 IKED CC(C)CN(CCC#N)C(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 818032101 MVINBEVHMCOBKW-UHFFFAOYSA-N 447.486 5.026 30 20 IKED CC(C)(C)OC(=O)N1Cc2ccc(NCc3cc(C#N)ccc3Br)cc2C1 864030509 LZNFBKLTQDPZBT-UHFFFAOYSA-N 428.330 5.184 30 20 IKED C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915103703 CAGQOCLRUQDWLD-MLGOLLRUSA-N 441.434 5.007 30 20 IKED CC(C)c1cccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1 916847086 LEFYJZUVKWEWHM-KBXCAEBGSA-N 435.549 5.043 30 20 IKED CN(CCC#N)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2Cl)cc1 917501393 PSOCCLSJLPLWTB-HSZRJFAPSA-N 434.902 5.600 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cccc(Cl)c34)CCC2)cc1 1785933611 RZKOZDJAOOMLCN-UHFFFAOYSA-N 434.927 5.119 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@@H]4c4ccc(Cl)cc4)cc3)CCC2)C1 1789152720 VTBHIUQPPUOMRB-PKTZIBPZSA-N 434.967 5.544 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4cnccc34)CCC2)cc1 1789453648 DJFSEHOMWZHHCX-QHCPKHFHSA-N 439.559 5.751 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccoc4c3)CCC2)cc1 1789626262 PRVFIVOCACRWMD-UHFFFAOYSA-N 431.536 5.568 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccc(F)c2s1 1797445131 PEMFGSLTYRFUIM-BCDXTJNWSA-N 428.573 5.285 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)c1 1797879155 OSLGGUCAVIQREC-DWDZDOEPSA-N 447.623 5.172 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](CC)c2ccccc2)[C@H]1c1cccnc1 1802497500 PJEASVZUILVKBQ-GVAUOCQISA-N 447.623 5.274 30 20 IKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](CC)c2ccccc2)[C@H]1c1cccnc1 1803082271 QPUHFRSBHLMLGM-NXCFDTQHSA-N 445.607 5.050 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3cccnc23)[nH]n1 1814828955 HTIGAVDGAPDALQ-QFIPXVFZSA-N 443.551 5.032 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccoc3s2)[nH]n1 1819554329 SFVXOWFKODSTOO-QGZVFWFLSA-N 440.569 5.516 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccoc3s2)CC1 1828823881 BZMJTNWIVXQXLR-NHCUHLMSSA-N 440.609 5.496 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cc(Cl)ccc2Cl)CC1 1831861847 ZQHIBZYVWZEVLI-OAQYLSRUSA-N 437.411 5.122 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2C)[n+]2ccc3c(c2)CCCC3)c(C)s1 11168874 XCGPBNFNSGWDQK-UHFFFAOYSA-O 435.638 5.891 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccc(F)c2)c1 14427802 GZJCYYBGTQYXAV-UHFFFAOYSA-N 444.915 5.113 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2ccccc2)cc1 15247756 FBJMTACMYIRLEN-UHFFFAOYSA-O 440.386 5.350 30 20 IKED Cc1ccccc1N/C(S)=C(/C(=O)c1cc(F)ccc1F)[n+]1ccc(C(C)(C)C)cc1 22695749 BXNUZHYZHDFHMK-UHFFFAOYSA-O 439.551 5.909 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCCC(=O)Nc1c(Cl)cccc1Cl 32786164 SXWKTTCWNVPKBU-UHFFFAOYSA-N 447.391 5.483 30 20 IKED Cc1c(Cl)cccc1-n1c(Sc2snc(Cl)c2C#N)nnc1-c1ccncc1 301932680 PKIXWIMFONLVKU-UHFFFAOYSA-N 445.360 5.424 30 20 IKED Cc1nc(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)n(C2CCCCC2)c1C 303297371 NVDOZFGQEYTHAH-INIZCTEOSA-N 442.654 5.988 30 20 IKED COc1ccc(C(=O)CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1F 433945568 IILCEISYAKDQCJ-UHFFFAOYSA-N 446.478 5.195 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1nc2ccccc2n1-c1ccccc1 436327775 SZNHOQWGJOCTQE-ILBGXUMGSA-N 434.543 5.256 30 20 IKED N#Cc1csc(C(=O)N[C@@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)c1 437365306 PYQVCLWONDPZAE-SFHVURJKSA-N 426.423 5.034 30 20 IKED C[C@@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@@H](OC1CCOCC1)c1ccccc1 437760773 FJMGIMNOYNBIDE-QVKFZJNVSA-N 447.457 5.024 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)NCc1ccc(Sc2ccccc2)cc1 438132800 MRVXUSQGEVDSJJ-UHFFFAOYSA-N 429.545 5.135 30 20 IKED CC(C)N(C[C@@H](O)COc1cccc2ccccc12)C(=O)N[C@H](CCC#N)c1ccccc1 440250753 BSAQJCZKGMPZAL-ILBGXUMGSA-N 445.563 5.045 30 20 IKED COCCc1nc2cc(NC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)ccc2o1 440390982 SZBOYQHGOVVQKO-UHFFFAOYSA-N 428.448 5.325 30 20 IKED COCCN(C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)c1ccc(C#N)cc1 460349464 HWMXGZLQOKLLPN-UHFFFAOYSA-N 428.460 5.181 30 20 IKED N#Cc1cccc(-c2nnc(N3CCC[C@@H]3c3ccccc3Cl)n2C[C@H]2CCCCO2)c1 461832762 OKUYBKXSFGFQIL-NFBKMPQASA-N 447.970 5.381 30 20 IKED CCO[C@@H](C)c1ncc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1 463397524 ZUSWFCHOCWEGSV-KSSFIOAISA-N 425.941 5.802 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)C(C)(C)c1csc(-c2ccc(F)cc2C)n1 463678417 QGBITVRLKDBMKS-UHFFFAOYSA-N 433.552 5.622 30 20 IKED C=CCn1c(SCc2nnc(-c3ccccc3)s2)nc2cc(Cl)ccc2c1=O 463792857 BVLMWHZEQTVXSU-UHFFFAOYSA-N 426.954 5.047 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)cc1C 465462970 MXFQCNUHRGNQDU-AZUAARDMSA-N 432.490 5.179 30 20 IKED C[C@H](NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1ccc(OCC(F)(F)F)cc1 465733687 XYORCIFTRCELAW-ZLGUVYLKSA-N 431.458 5.170 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nc(-c2cccc(F)c2)no1 466465822 PZWKLSFXSAVVOF-HNNXBMFYSA-N 443.438 5.422 30 20 IKED N#C[C@@H](C(=O)c1cc(Oc2ccccc2)ccn1)c1nc(-c2c(F)cccc2F)cs1 466984099 MANZLJJNNCGSFH-INIZCTEOSA-N 433.439 5.766 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 467048157 SGFSZKQQOKCLPB-UHFFFAOYSA-N 444.482 5.952 30 20 IKED N#C[C@@]1(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CCc2ccccc2C1 472272313 DHVRKSAYKXOUQY-HSZRJFAPSA-N 440.330 5.148 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)N(CCC#N)Cc1ccccn1 473802487 CVUXIZZKKXLCDQ-UHFFFAOYSA-N 442.498 5.031 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1 475294676 DLWBJGBZEMXTCF-HNNXBMFYSA-N 439.503 5.220 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1 475553023 NUVVYBOPEASLRD-UHFFFAOYSA-N 426.605 5.167 30 20 IKED C=CCC[C@H](NC(=O)N1CCC(c2noc(-c3ccccc3OC)n2)CC1)c1ccccc1 479744207 KIPJXDRBAYUTHQ-QFIPXVFZSA-N 446.551 5.342 30 20 IKED CCN(C(=O)COc1ccc(C#N)cc1)[C@@H](c1cccnc1)c1csc2ccccc12 480970719 LRPHKKAGMGXLOB-VWLOTQADSA-N 427.529 5.185 30 20 IKED C[C@H](OCc1ccccc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 487391338 SIPOVHHZDPVWNR-AWEZNQCLSA-N 445.466 5.168 30 20 IKED Fc1cccc(Cc2noc(CN[C@H](c3ccccc3C(F)(F)F)C(F)(F)F)n2)c1 488254882 SHDPRZNAZKREKP-QGZVFWFLSA-N 433.327 5.212 30 20 IKED C[C@@H](Sc1nc(C(F)(F)F)ccc1C#N)c1nnc(-c2ccc(Cl)cc2Cl)o1 488747602 AGYCPAVAWZLUTF-MRVPVSSYSA-N 445.253 6.182 30 20 IKED COc1ccc(-c2nc3cc(Br)ccc3n2C(C)C)cc1OCCCC#N 493947984 DSSVLSZXEJHRCW-UHFFFAOYSA-N 428.330 5.738 30 20 IKED CCN(C(=O)CSCc1ccc(C#N)cc1)[C@H](c1ccc(Cl)cc1)c1ccccn1 497904157 OIXQAMVSDAWBOW-XMMPIXPASA-N 435.980 5.478 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 499437828 TUNFIQKNGJVEKF-UHFFFAOYSA-N 425.532 5.132 30 20 IKED COCC1(C#N)CCN(C(=O)NCc2ccccc2-c2ccc(Cl)cc2Cl)CC1 499740485 KPYJGFMPQQTCHD-UHFFFAOYSA-N 432.351 5.122 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1csc(-c2ccc(OC(C)C)cc2)n1 501762110 HMBPDMKRDLJDJG-UHFFFAOYSA-N 437.521 5.334 30 20 IKED Cc1nc(NC(=O)CSc2nccn2-c2ccc(C(C)C)cc2)sc1SCC#N 504745165 KSSAPYSVHHTVEV-UHFFFAOYSA-N 443.623 5.107 30 20 IKED Cc1sc2ncnc(SCC(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)c2c1C 505514649 SBSORRKZZVCZBA-ZDUSSCGKSA-N 437.377 5.088 30 20 IKED N#C[C@@H](NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1ccc(Cl)cc1 505815537 NNKFDAFPPKTMJH-OAQYLSRUSA-N 437.952 5.358 30 20 IKED O=C(CCC(=O)c1ccc(F)cc1F)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 508097655 GORDWYSMURXVQH-QGZVFWFLSA-N 439.302 5.366 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 508163149 XXGQCMJVQYCZOM-UHFFFAOYSA-N 433.733 5.169 30 20 IKED CCN(C(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C)[C@H](C)c1ccc(C#N)cc1 509592265 NJRSGBILPSOXMP-GOSISDBHSA-N 431.584 5.713 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1Cl 510040194 ACSXJHVBPVGXBF-ISKFKSNPSA-N 449.913 5.740 30 20 IKED Cc1ccc(C)c2c(C)c(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)oc12 510205004 ABYMYBATIDTOOR-UHFFFAOYSA-N 434.546 5.626 30 20 IKED Cc1c(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)sc2nc(C(F)(F)F)ccc12 511718359 IHMUSLIEUUTLAE-UHFFFAOYSA-N 445.401 5.072 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)sc2nc(C(F)(F)F)ccc12 512958615 LJTPULSOIJQDSD-ZDUSSCGKSA-N 444.463 5.632 30 20 IKED C[C@@H]1CN(c2ccccc2NC(=O)c2cccc(COc3ccccc3C#N)c2)C[C@@H](C)O1 513504650 FQMRNBYOJLJPIT-WOJBJXKFSA-N 441.531 5.003 30 20 IKED C[C@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 517168489 FGVGTIWVLFBISS-AWEZNQCLSA-N 436.855 5.351 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1ccc(C(F)(F)F)cc1 517451562 OJQSHGMGYLPNBK-LSDHHAIUSA-N 438.540 6.533 30 20 IKED COc1ccccc1-c1csc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)n1 517652382 PYBSFOWPEQTRFO-UHFFFAOYSA-N 441.512 5.929 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 519413133 DFRNBVVINGVKLJ-QGZVFWFLSA-N 447.516 5.674 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1N[C@H](C(=O)N1CCCCC1)c1ccccc1 519433125 SLYIBQVEHKGCDQ-NRFANRHFSA-N 447.526 5.877 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 520006537 RRFWMEUWOQJWAG-UHFFFAOYSA-N 432.568 5.199 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccccc3OCCn3ccnc3)cc2)cc1 520324820 OEKVQGVUEMJVQD-UHFFFAOYSA-N 438.487 5.073 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ncc(Cc3ccccc3)s2)cc1C 522270766 PIERAJMGQJTESR-UHFFFAOYSA-N 441.560 5.380 30 20 IKED CCOCc1ccccc1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 524440842 DHUIJXBFNOQRHG-UHFFFAOYSA-N 429.520 5.304 30 20 IKED CC(C)(C)n1nc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1C1CC1 524457563 OFRYSSPDAINYIX-UHFFFAOYSA-N 432.499 5.358 30 20 IKED CC(C)c1sc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)nc1-c1ccccc1 524615164 IWMHJUNUPCRBOL-UHFFFAOYSA-N 446.576 5.599 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1nc(C(F)(F)F)cs1 525416312 JWBRQROUMFVZCQ-UHFFFAOYSA-N 446.454 5.243 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)N[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 525761311 VSMDMDRQKBCPLI-AEFFLSMTSA-N 436.556 5.244 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1 530621214 KHTCPGCZBHOCBJ-OAHLLOKOSA-N 436.562 6.039 30 20 IKED Cc1cccc(CN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)Cc2ccco2)c1 533489449 VNXHAUOGRVQTPQ-FQEVSTJZSA-N 433.577 5.623 30 20 IKED C=CCN(C(=O)[C@H](C)C1CCOCC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 533719466 RIZPXKFGNJPNSZ-CYBMUJFWSA-N 425.381 5.699 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN(Cc1cccs1)CC(F)(F)F 534123718 DQCRXURVDROTFN-AWEZNQCLSA-N 427.517 5.003 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cnn(-c2cnc3ccccc3n2)c1 536297919 YPAVUHAWYPGCBW-UHFFFAOYSA-N 448.511 5.091 30 20 IKED N#CC1(CCCSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)CCOCC1 539670914 XANDHCBGLZZFJB-UHFFFAOYSA-N 440.519 5.405 30 20 IKED N#C[C@@H](C(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)c1nc2ccccc2n1C(F)F 543211023 SOMKFTURPGNPRU-ZDUSSCGKSA-N 446.335 5.595 30 20 IKED N#Cc1cc(C(=O)Nc2ccc(Oc3ccnc4ccccc34)cc2)cnc1C(F)(F)F 551145726 PMIIKESXVZSOQM-UHFFFAOYSA-N 434.377 5.565 30 20 IKED C[C@H](NC(=O)NC[C@@H]1CCO[C@H]1c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 561804916 PCGAUKOBZPRJBP-CNVLFFCLSA-N 425.532 5.363 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc([C@H](CC)NC(=O)c2ccccc2)no1 572562364 JNQPRQOJTAHSOI-KRWDZBQOSA-N 431.414 5.201 30 20 IKED N#CCCC[C@H](NC(=O)N[C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccccc1 590072490 RHOSROKUZCFWRE-ASDGIDEWSA-N 430.596 5.021 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCc2ccc(-n3cccn3)cc2)cc1 594740153 SDCAOKBRYGZFEC-UHFFFAOYSA-N 438.556 5.009 30 20 IKED CC(=O)c1ccccc1NC(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 594785888 ZQGPPKWCOKLDGI-ZDUSSCGKSA-N 435.471 5.353 30 20 IKED Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccccc1Sc1ccccc1C#N 603757806 ICQWJROGXOCSKM-UHFFFAOYSA-N 427.529 5.619 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(Cc4cccc(F)c4)CC3)cn2)c1 603828957 GQYSYWZRWPVRBM-UHFFFAOYSA-N 430.483 5.371 30 20 IKED CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 603830386 BSTKFWVHGHYOAB-OAQYLSRUSA-N 439.943 5.193 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 609080285 AHQMAMBIBVBDIM-UHFFFAOYSA-N 439.437 5.820 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccccc1SCCC#N 609375877 GPAHJFTZNFDVQH-UHFFFAOYSA-N 447.507 6.395 30 20 IKED N#Cc1cccc(OCCCCC(=O)N(Cc2cccs2)c2ccc(F)cc2F)c1 609501487 UDIWTLMFTQYKLX-UHFFFAOYSA-N 426.488 5.680 30 20 IKED C=CCc1cc(C(=O)Nc2cccc(CSC3CCOCC3)c2)cc(OC)c1OC 609699415 PLVDXJDMTIMTTM-UHFFFAOYSA-N 427.566 5.097 30 20 IKED Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)c1ccccc1-c1ccccc1C#N 609908532 BARPJILMHXVVPB-UHFFFAOYSA-N 440.503 5.278 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)Nc3ccc(OCC4CCOCC4)cc3)c2)cc1 609930399 CXGXECZAFCRSCZ-UHFFFAOYSA-N 443.503 5.800 30 20 IKED C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 610016532 GGYNRMBAWFAYKY-SFHVURJKSA-N 429.495 5.622 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCc2cc(F)ccc2[C@@H]1C 610018438 LKXOLQGVYRJZNC-SFHVURJKSA-N 429.495 5.736 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC3(CCCC3)CC2)cc1Cl 610035414 VLFHAFGXZSIHQC-OAQYLSRUSA-N 435.955 5.117 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)c1 610069282 ISCFXMZEOWASFY-QFIPXVFZSA-N 445.494 5.120 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F 610143636 UJXTZWMWMBFCDT-UHFFFAOYSA-N 447.404 5.895 30 20 IKED Cc1cccc(Oc2cc(CNCc3cn(CCC#N)nc3-c3ccccc3)ccn2)c1C 610272254 MBJZABMAHNAXNQ-UHFFFAOYSA-N 437.547 5.558 30 20 IKED C[C@@H](NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1cccc(C#N)c1 610361856 INSCAGUBRQMTTJ-CQSZACIVSA-N 438.314 5.608 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1c1ccccc1Br 610674494 WLPHBLOWEYDCIW-DNVCBOLYSA-N 444.398 6.212 30 20 IKED Cc1cccc([C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c2ccccn2)c1 611225654 PRISAJVMHZENKR-RUZDIDTESA-N 435.487 5.360 30 20 IKED Cc1cc(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)nn1CCC#N 611247699 IWUUKOFEGQLFQP-UHFFFAOYSA-N 433.462 5.103 30 20 IKED CC(=O)N1CCCCC[C@H]1C1CCN(Cc2cccc(OCc3ccccc3C#N)c2)CC1 611271493 GDCXGYZGBFCICF-NDEPHWFRSA-N 445.607 5.140 30 20 IKED C[C@]1(C#N)CCCN(C(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)C1 612302375 FYYOMSCLEDBIRM-QGZVFWFLSA-N 442.397 5.295 30 20 IKED C[C@@]1(C#N)CCCN(c2nnc(Cc3cccc4ccccc34)n2Cc2cccs2)C1 619854707 OZASNKBBDWNNSL-VWLOTQADSA-N 427.577 5.262 30 20 IKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc(C3CC3)nc21 642281933 ZOHBCEBGPBJYLK-GOSISDBHSA-N 427.533 5.503 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c(C)c2c1 642309386 BPQOAUCYLIGAFG-UHFFFAOYSA-N 439.471 5.574 30 20 IKED C[C@@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1OC(F)F 642796013 BUFKHEGTNFEDEL-WYUUTHIRSA-N 448.354 5.558 30 20 IKED C#Cc1cccc(NC(=S)N[C@@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)c1 726465360 WGWDYKBAYZLDLS-KRWDZBQOSA-N 431.536 5.036 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 726475560 QREIVVSDQYSTMQ-OAHLLOKOSA-N 448.419 5.855 30 20 IKED COc1ccc(-c2cc(C(=O)Nc3ccc(F)c(C#N)c3)c3ccccc3n2)cc1OC 728180564 UGGMFRASYIDMTB-UHFFFAOYSA-N 427.435 5.182 30 20 IKED Cc1ccc2c(Cl)c(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccccc3)sc2c1 729727567 DUTZKOITNGXTPH-HNNXBMFYSA-N 426.925 5.355 30 20 IKED CSc1ccsc1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 730639793 BNCSWJPDMQXAPM-UHFFFAOYSA-N 431.583 5.061 30 20 IKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc(C)c1OC(F)F 731076337 CLFFSPXOOBSNKI-OAHLLOKOSA-N 448.491 5.095 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(OC(F)F)c(Cl)c1 731486259 RVEMULAFBRXNPV-UHFFFAOYSA-N 445.878 5.570 30 20 IKED Cc1cc(C=Nn2c(S)nnc2SCc2ccccc2)ccc1Oc1cccnc1 732711241 GBUIVJVSYCPWPT-UHFFFAOYSA-N 433.562 5.237 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(C)Cc2ccccc2-c2ccccc2)ccc1OC 733657938 ZTUFPUJBXLZPHK-QHCPKHFHSA-N 443.547 5.385 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Sc3ccc(OC)cc3)cc2)c1 733844346 JOSNZRHWECQEBQ-FQEVSTJZSA-N 447.560 5.849 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](c2ccccc2Cl)C(C)C)ccc1OC 734670172 GGEQVQKSIPYZLS-VGOFRKELSA-N 429.948 5.226 30 20 IKED N#CC(CCOC(=O)c1cc(O)nc2ccc(F)cc12)(c1ccccc1)c1ccccc1 738815621 WZGYUUDSQCZPGA-UHFFFAOYSA-N 426.447 5.136 30 20 IKED CCCC(=O)Nc1cccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1C 740443054 JAJSGWKBBPWDMC-UHFFFAOYSA-N 432.549 5.656 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc3c(c2)COC3)ccc1OCC(=O)Nc1ccccc1 742437585 VNCXPJGXCVIYGX-WQLSENKSSA-N 443.499 5.029 30 20 IKED Cc1c(C(=O)/C=C\c2cc(Cl)ccc2OC[C@H]2CCCO2)cnn1-c1ccc(C#N)cc1 743055547 DZZCOECLIWHIDA-RWKBYAJOSA-N 447.922 5.160 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cc1 743094977 GIWSPSFLRZVNKG-DEOSSOPVSA-N 435.531 5.630 30 20 IKED C/C(=C\C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1cccc(C(F)(F)F)c1 744060989 DNVCSUXRCORLNM-JNMQVBFRSA-N 437.446 5.980 30 20 IKED CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 745055092 VHGGHWXJUQDFEO-RXFWQSSRSA-N 426.516 5.270 30 20 IKED C/C(=C\C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1ccccc1C(F)(F)F 745275117 WQDAIUYRQJIVLS-DTQAZKPQSA-N 440.421 5.403 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(-c3ccncc3)cc2)cc(Br)c1OC 745989885 FHCKLGPKNFMCKI-RUDMXATFSA-N 438.321 5.815 30 20 IKED COc1ccccc1Nc1nn(CN(Cc2ccc(C#N)cc2)CC(C)C)c(=S)s1 746061600 GNYYRRDQEFRINS-UHFFFAOYSA-N 439.610 5.414 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc(Br)cc(OC(C)C)c1 747105662 UUOFHRFYCKYKSA-GOSISDBHSA-N 439.309 5.231 30 20 IKED N#Cc1csc(/C=C2\CN(Cc3ccccc3)C/C(=C\c3cc(C#N)cs3)C2=O)c1 748438650 ALFKXZWVTWQEPW-IYJUZEOBSA-N 427.554 5.105 30 20 IKED C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3n2CC)cc1OC 751233524 UVLJNDHQLSXPOL-UVEFMEQMSA-N 431.536 5.007 30 20 IKED Cc1nc2sc3c(c2c(=O)n1N=Cc1ccc(-c2ccncc2)cc1F)CCCCC3 752722445 NLRMSKAOBYZGJQ-UHFFFAOYSA-N 432.524 5.119 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](CC)Cc2ccccc2Br)c1 757655409 KAELFXRONCOODC-IEBWSBKVSA-N 429.358 5.015 30 20 IKED O=C1/C(=C\c2nc(Cl)cs2)CN(C2CCCCC2)C/C1=C\c1nc(Cl)cs1 759077098 PSRREFIOZHYEEC-VOFKWTQNSA-N 440.421 5.591 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](c1cccnc1)c1cccc(C(F)(F)F)c1 759592097 CKRZJTHKLJGDHF-QVKFZJNVSA-N 426.394 5.072 30 20 IKED CC(C)(C)OC(=O)NC[C@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccc2ccccc2c1 761768648 VGCNTVHMDSLNQY-QHCPKHFHSA-N 444.535 5.293 30 20 IKED N#C[C@@H](C(=O)CCCc1ccccc1Br)c1nc2ccccc2n1C(F)F 766265380 VVTJEUHHDYKHNO-AWEZNQCLSA-N 432.268 5.393 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N[C@H](C)c2cccc(OC(F)(F)F)c2)c1C(F)F 769262832 VNWPZXNXRBPQAC-MRVPVSSYSA-N 445.310 5.249 30 20 IKED C[C@H](N[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21)c1ccc(C#N)cc1 769698771 WNFQIEBIEPMVIF-HBTLOVQCSA-N 433.552 5.112 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1coc2c(C)cc(Br)cc12 769909015 OSUWUCSXXSHQGU-UHFFFAOYSA-N 434.293 5.253 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 772436067 SEBXZDMLKYAEMP-FUHWJXTLSA-N 444.601 5.087 30 20 IKED CN(C)C1CCN(c2ccc(NC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)cc2)CC1 775586421 XFWPPPMDQYJXRP-UHFFFAOYSA-N 439.563 5.085 30 20 IKED N#Cc1cc(NC(=O)c2cc(Br)cnc2Cl)ccc1Oc1ccccc1 777968116 SISVVIIDYRGNKY-UHFFFAOYSA-N 428.673 5.414 30 20 IKED Cc1cc(Br)cc(Cl)c1C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl 778048172 BYYBOSXYEKFSCN-UHFFFAOYSA-N 429.057 5.097 30 20 IKED C[C@H](NC(=O)C(C)(C)[C@@H](O)c1ccc(OCc2ccccc2)cc1)c1cccc(C#N)c1 778827547 RQSTVRMALMTXAH-DFBJGRDBSA-N 428.532 5.074 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21 779710204 XOPUOKZUFGORLX-QFIPXVFZSA-N 434.540 5.124 30 20 IKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)c1 780304901 AOQOURWYLNLASZ-QHCPKHFHSA-N 435.483 5.180 30 20 IKED Cc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)s2)o1 781745972 KUIUNYSWYJADQU-AWEZNQCLSA-N 440.546 5.364 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C1(Cc2ccccc2Cl)CC1 784272140 CZBSDLJYCAUAHN-INIZCTEOSA-N 442.968 5.096 30 20 IKED Cc1ccc(CN(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C2CC2)cc1C 784993580 RKYFAWWGCNIKID-SANMLTNESA-N 437.543 5.089 30 20 IKED C[C@@H](CC(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1c[nH]c2ccccc12 786277790 WNRRVVPRTVTOIS-XJKSGUPXSA-N 430.533 5.127 30 20 IKED CC(C)(C)OC(=O)N1CCc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc2CC1 789335181 GAYTVNUGBFAEBZ-LJQANCHMSA-N 447.560 5.122 30 20 IKED CN(C)C(=O)c1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1 792927855 ZQLVQZLLYJKEFO-GIDUJCDVSA-N 432.907 5.190 30 20 IKED Cc1ccc(-c2cccnc2)cc1NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 797370826 CAYFUCXBQIQYDW-RUZDIDTESA-N 446.510 5.290 30 20 IKED C[C@@H](CC(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)c1ccc(F)c(Br)c1 813212869 GYIRGMSYYYVJHK-GWCFXTLKSA-N 429.211 5.372 30 20 IKED N#Cc1cccc(-c2cc(-c3nc(-c4ccc(Cn5cnc6ccccc65)cc4)no3)on2)c1 904480108 SQOSMWPAVGMZIC-UHFFFAOYSA-N 444.454 5.328 30 20 IKED CC(=O)N/C(=C\c1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 916056820 IPWTXQAMHKYLGJ-XYUXXQEKSA-N 429.907 5.111 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916907579 CEJSLUYVDASTQZ-LBPRGKRZSA-N 434.723 5.339 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3ccc(F)cc3)nc2C)cc1 916955796 VCMBPXVUFLPTDD-JLTOFOAXSA-N 435.524 5.732 30 20 IKED C=CCn1c(SC[C@@H](O)c2cccc(C(F)(F)F)c2)nc2cc(Cl)ccc2c1=O 916974589 NAOZAUYUAGEYRT-QGZVFWFLSA-N 440.874 5.080 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2[nH]c(-c3ccccc3)nc2C)cs1 917559894 DTDOXFRXEIITKB-KAMYIIQDSA-N 442.544 5.731 30 20 IKED COc1ccc(Cl)cc1C(=O)/C=C/c1csc(N(C(C)=O)c2ccc(F)cc2)n1 917560234 TUYCCIHCSMZYSQ-RMKNXTFCSA-N 430.888 5.525 30 20 IKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CC(F)(F)F)c1 917713345 JTMSTCLVNPUTHK-GOSISDBHSA-N 449.498 5.333 30 20 IKED CC(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 918297033 GVXWUWXYXPPVMR-VWLOTQADSA-N 425.532 5.063 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccccc3OC(F)(F)F)n2)cc1 920143559 XUBNYFHEBQCKOC-OAGJVSPASA-N 439.418 5.470 30 20 IKED CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 920939774 LPGRVVLQRMFYEG-UHFFFAOYSA-N 433.581 5.114 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2cc(Cl)sc2Cl)c1 924836136 DYWVPBPSEBSEKI-CYBMUJFWSA-N 425.337 5.164 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(OC)cc3)cc2)CCC1 1786331471 OPVLXUONTDSACO-JWQCQUIFSA-N 444.575 5.126 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)COc3ccc(F)cc3)CCC2)cc1 1789452085 ZJILQMRDVHTYQS-HSZRJFAPSA-N 436.527 5.107 30 20 IKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccsc4)CCC3)cc2)c1 1790764723 IIRLFZFOOPOTSO-YCRREMRBSA-N 445.519 5.220 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccccc3C3CC3)cc2)CCC1 1792086857 ZQAXXTJQXNWNSL-UHFFFAOYSA-N 432.564 5.295 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3F)cc2)CCC1 1792170774 MRJALSWPKGRZGQ-UHFFFAOYSA-N 432.417 5.006 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1cccc(C(F)(F)F)c1)C2 1798332056 GEIMIAWKYGCTKN-UAFXNKMXSA-N 446.513 5.125 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)[C@H]1c1cccnc1 1802500512 ABAIGLQUYRFIIW-KOVSNXQUSA-N 439.644 5.296 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(C)c(Cl)c3)C2)CC1 1805079980 DGPOFSVYYRBADU-NRFANRHFSA-N 429.004 5.262 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cccs2)[nH]n1 1819554309 QTQGJYXCLDIAQQ-VYENPZKTSA-N 426.586 5.169 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)ccc2Cl)n[nH]1 1821122574 JDKWYYPDOHXKFN-HXUWFJFHSA-N 444.938 5.277 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1823755222 OEFJOHCIHKBWAG-OFVILXPXSA-N 449.639 5.539 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2C)CC1 1823926030 LRVDQNVCWKVVMK-URXFXBBRSA-N 426.576 5.136 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)CC1 1829701028 DGRXSSFIVOTYLZ-VGOFRKELSA-N 442.987 5.532 30 20 IKED CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)CCCCC1 1831791413 YKJGKAMOSPQLKF-VWLOTQADSA-N 449.639 5.081 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC12CN(C(=O)C1CCC(c3ccc(Cl)cc3)CC1)C2 1845977465 VRFFYUIHZIGSQL-JSOIOWGOSA-N 429.004 5.029 30 20 IKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccccc2)cc1 10170591 SKNAQTZWJCGSJS-UHFFFAOYSA-O 425.524 5.601 30 20 IKED N#Cc1ccc(CSc2nnc(COc3ccccc3F)n2-c2ccccc2)c(F)c1 10440621 FQSGBLUJEVISQO-UHFFFAOYSA-N 434.471 5.288 30 20 IKED COc1cc(-c2noc(COc3ccc(-c4ccc(C#N)cc4)cc3)n2)ccc1OC(F)F 15551402 URIIFQIUUWXBHX-UHFFFAOYSA-N 449.413 5.464 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)nnc1-c1ccccc1 21754844 AUWHSGVDTQIMTB-RBUKOAKNSA-N 442.588 5.642 30 20 IKED CC(C)c1ccc(CSc2nnc(SCC(=O)Nc3sccc3C#N)s2)cc1 26093133 YPOCAZKTAHQWPJ-UHFFFAOYSA-N 446.648 5.618 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)cc1Cl 58477580 QYTQFAGDLMAZBQ-UNMCSNQZSA-N 447.922 5.222 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1csc(-c2cccnc2)n1 72025286 OKWYVRMIALNHKH-UHFFFAOYSA-N 426.501 5.359 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)OCc2noc(-c3cccs3)n2)cc1 105251561 WUCMVSIGPFNUTB-UHFFFAOYSA-N 433.514 5.319 30 20 IKED COc1ccc(/C=C\C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1OC 207998461 IZCUFQBIRDBIIE-MLPAPPSSSA-N 430.460 5.028 30 20 IKED Cc1c(Cl)cccc1-n1c(Sc2ccc([N+](=O)[O-])cc2C#N)nnc1-c1ccncc1 301096274 PHCRUOASKWSQQL-UHFFFAOYSA-N 448.895 5.222 30 20 IKED CC(C)(C)n1cc(C(=O)Nc2cccc(OCCCC#N)c2)c(-c2ccccc2Cl)n1 303296612 NQOPXRSSTHCFBO-UHFFFAOYSA-N 436.943 5.893 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(N(C)C2CCN(C)CC2)cc1 303875145 XZCPPCLDQGLKFU-UHFFFAOYSA-N 447.501 5.053 30 20 IKED N#Cc1ccc(NC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c(Cl)c1 426130409 WHXNQGSGYWVGEP-UHFFFAOYSA-N 445.737 6.148 30 20 IKED Cc1c(-c2nc(-c3ccc(C(=O)N4CCC[C@@H]4C)cc3)no2)sc2ccc(C#N)cc12 426416575 KAVNZFDJAPDZJV-AWEZNQCLSA-N 428.517 5.423 30 20 IKED C[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1nc(Cc2ccccc2)no1 427219529 YUVKGAPHKDIWPE-KRWDZBQOSA-N 440.528 5.174 30 20 IKED Cn1c(-c2cccc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)c2)nc2ccccc21 428256086 MPXQJGFMRAGWTM-UHFFFAOYSA-N 446.514 5.270 30 20 IKED N#C[C@H]1CC[C@H](Sc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)C1 430120307 HCKTTYRLOFXBAV-GJZGRUSLSA-N 429.343 5.133 30 20 IKED C[C@H](C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)[C@@H]1OCCc2sccc21 431336458 INVYFYKHEUFHAY-XDHUDOTRSA-N 434.536 5.238 30 20 IKED Cc1cc(NC(=O)c2ncc(C#N)cc2Cl)n(-c2cc(C(F)(F)F)ccc2Cl)n1 431572140 SOCQIMJOHVXRPO-UHFFFAOYSA-N 440.212 5.025 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 432875124 WMIUESRZWPWLHR-SANMLTNESA-N 437.543 6.205 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCCc3cccc(C(F)(F)F)n3)cc2)c1 433136727 MGHRVDPZQDQFIH-UHFFFAOYSA-N 426.398 5.129 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C2(OCc3ccccc3)CCOCC2)cc1 435062233 YGFATKKOFIGPCP-UHFFFAOYSA-N 428.488 5.055 30 20 IKED C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 437756294 HQOZGDBTLOAQKT-AFMDSPMNSA-N 443.522 6.086 30 20 IKED C=CCN(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 439247298 NLMGSVFCVFSDJV-UHFFFAOYSA-N 442.500 5.613 30 20 IKED CCCc1c(NC(=O)N(C)Cc2c(F)cccc2Cl)cnn1-c1cccc(C#N)c1 439674402 XJULEYZUNSDIOA-UHFFFAOYSA-N 425.895 5.153 30 20 IKED CC(=O)N(c1nc(CN(C#N)c2ccc(F)c(C#N)c2)cs1)c1c(C)cc(C)cc1C 439704554 DCQJQSGUTQZFPI-UHFFFAOYSA-N 433.512 5.251 30 20 IKED C=C[C@H](CC(=O)NC[C@]1(C)CCN(C(=O)C[C@H](C=C)c2ccccc2)C1)c1ccccc1 442836014 ZKKUYYHRIVTDJT-IWHLBADBSA-N 430.592 5.061 30 20 IKED C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 460961359 VHESZQGRUXWDEY-RTXSBVQDSA-N 436.625 5.331 30 20 IKED COCCOCc1ccc(C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1 463343725 HDKXXBBWRSHYQF-UHFFFAOYSA-N 432.495 5.016 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1 463873801 CLLNGKBOMQEZJE-UHFFFAOYSA-N 427.338 5.530 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](c2c(F)cccc2F)C1 469672593 CENADVYXHQPHLX-FQEVSTJZSA-N 447.485 5.745 30 20 IKED CC[C@@H](CN(C)Cc1nnc(-c2ccc(C#N)cc2)o1)Oc1ccc(Cl)c(Cl)c1 469751786 JRZMYCIRQRFRQY-INIZCTEOSA-N 431.323 5.204 30 20 IKED CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 470143947 AVPYCEPYBPYGRD-LJQANCHMSA-N 438.531 5.867 30 20 IKED Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1 470768809 FKZLWZOLTGFQNT-FQEVSTJZSA-N 435.549 5.171 30 20 IKED CC(=O)Nc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc(C(F)(F)F)c1 472368609 OBIUDSDUZYEYQM-GOSISDBHSA-N 443.450 5.586 30 20 IKED C[C@@H](NC(=O)NCc1ccc(C#N)cc1)c1nc(-c2ccc(Br)cc2)cs1 475119794 PLFLOQLXCNDDLI-CYBMUJFWSA-N 441.354 5.005 30 20 IKED COc1c(C)cnc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C 476518761 WPMOANQJORDNEY-NRFANRHFSA-N 448.954 5.680 30 20 IKED C[C@@H](SCCCOc1cccc(C#N)c1)c1nc(O)c2c(-c3ccco3)csc2n1 477352787 RJLAMKVIXPVZMF-CQSZACIVSA-N 437.546 5.792 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)nnc1-c1ccoc1C 477570806 LIEPUHVCIQFVPK-HNNXBMFYSA-N 440.956 6.503 30 20 IKED Cn1nc(C(F)F)c2cc(C(=O)Nc3ccc(OC(F)F)c(C(F)(F)F)c3)sc21 477638922 WCYOWXWWZKMYPF-UHFFFAOYSA-N 441.328 5.445 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)CCSc3ccc4c(c3)OCCCO4)c2C#N)C1 480026138 NIUVZOSRBLRBFP-CQSZACIVSA-N 428.579 5.027 30 20 IKED CC1(C)Cc2ccc(Cl)c(NC(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)c2O1 483371636 BVBVIMUQGXPOSM-UHFFFAOYSA-N 443.906 5.140 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 483627483 UGZBEIYCAPXLQQ-XLIONFOSSA-N 447.564 5.747 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)N[C@H](C)c3ccc(Cl)cc3)o2)cc1 489792323 OWPNMDQNMKLBLF-CABCVRRESA-N 443.956 5.313 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCCC[C@H]1c1ccc(C(C)C)cc1 490823461 GENIFAAWYZNHRJ-DEOSSOPVSA-N 429.568 5.028 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)NCCC3(F)CCC3)s2)c(C(F)(F)F)c1 496342463 IQMNJUXDBAZJRX-UHFFFAOYSA-N 426.439 5.028 30 20 IKED Cc1ccc(-c2csc3ncnc(SCC(=O)N(C)Cc4cccc(C#N)c4)c23)cc1 498489540 NUKUEDIAHGQIPZ-UHFFFAOYSA-N 444.585 5.289 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 498846293 HVOKUTJPBWMZIB-QHCPKHFHSA-N 434.442 5.040 30 20 IKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@H](C#N)c1ccc(Cl)cc1 499815538 UBDJXIPNEYMSIL-LJQANCHMSA-N 447.753 5.373 30 20 IKED C=CCc1cc(CN[C@H]2c3cc(Br)ccc3SC[C@H]2C)cc(OC)c1O 500913397 CBQLFSLWVKDIQV-ZUOKHONESA-N 434.399 5.465 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1ccc(Br)cc1OC 502574542 AMQINHMKRXQIBF-INIZCTEOSA-N 449.393 5.084 30 20 IKED C=CCn1c(SCC(=O)Nc2ncccc2C(C)C)nnc1-c1ccc(Cl)cc1 504830805 JEPJBJTUUBNNDC-UHFFFAOYSA-N 427.961 5.034 30 20 IKED Cc1ccc(Cl)cc1NC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 505775378 AWNSHWPOLZGEFR-AWEZNQCLSA-N 436.751 6.325 30 20 IKED CCN(Cc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1)[C@H](C)c1ccc(C#N)cc1 508604404 MKMYGBIESLTFSV-MRXNPFEDSA-N 438.984 5.936 30 20 IKED COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CSc2ccc(C#N)cc2)cc1 509638230 JCYUKCDSHYNSLK-XMMPIXPASA-N 427.529 5.037 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3CC=C(c4cccc5ccccc45)CC3)CC2)c(F)c1 509831936 LAFCCLKLPWQDRF-UHFFFAOYSA-N 439.534 5.383 30 20 IKED Cc1ccc(Cc2ccccn2)cc1NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 510276391 ZSJRBLNYJKESKX-UHFFFAOYSA-N 439.544 5.544 30 20 IKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 510995833 RJAXQTXLTIBMNA-UHFFFAOYSA-N 437.487 5.118 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H]3CCSc4ccccc43)c2)c1 511458675 FLXXIWKSPHZKIM-NRFANRHFSA-N 428.517 5.169 30 20 IKED N#Cc1cc(NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCC(F)(F)F 515427081 QRMJBDYEVKJWLD-UHFFFAOYSA-N 439.187 5.260 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3nnc(-c4ccccc4)o3)cc2Cl)cc1 515711593 OTWFJVRCYJQQNV-UHFFFAOYSA-N 444.878 5.625 30 20 IKED C[C@H](Nc1cccc(COCC(F)(F)C(F)F)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 515717783 VGISNHCABVPLBL-LBPRGKRZSA-N 443.828 5.068 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1 517615325 KBFINOQCUYAPFM-UHFFFAOYSA-N 440.286 5.026 30 20 IKED CCCC(=O)Nc1cccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1C 517655533 HYFMOHYCSZPCGR-UHFFFAOYSA-N 427.504 5.844 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc2c(nc1O)CC(C)(C)CC2=O 520331866 KZTJKLFQDBETBL-UHFFFAOYSA-N 441.487 5.167 30 20 IKED Cc1nc2cc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)ccc2n1-c1ccccc1 520829935 ZULDJLKONGXUBG-KRWDZBQOSA-N 426.545 5.838 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1 521733675 ZCZQPURIZIDGJF-AUSIDOKSSA-N 438.543 5.074 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC1(c2ccc(Br)cc2)CC1 521811674 PZLOXOMRWBBPQT-CQSZACIVSA-N 430.371 5.654 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H](Cc2ccccc2)C2CC2)cc1 523014424 RDFJYSBSKMJLCU-SANMLTNESA-N 425.532 5.474 30 20 IKED Cc1ccc([C@H]2CCCCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)o1 523419371 BYTYKNBFHJABMT-RUZDIDTESA-N 443.547 6.382 30 20 IKED CCC(=O)c1ccc(OCCCCC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 524087720 KHNKYCBVZZSGII-UHFFFAOYSA-N 433.533 5.462 30 20 IKED C=CCOc1cccc(CN[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)c1 525694963 AHBBOUZQVZNOOM-AREMUKBSSA-N 435.589 5.151 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](C)c3ccccc3-c3ccc(Cl)cc3)CC2)o1 527248198 RCQNAZROAHTJBA-INIZCTEOSA-N 448.954 5.269 30 20 IKED C=C[C@@H](CC(=O)N(C[C@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F)c1ccccc1 533955898 XKRGFIJDKQKZLW-VXKWHMMOSA-N 430.514 5.259 30 20 IKED CC(=O)c1ccc(Oc2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)cc1 534131803 WWHFCTAQSRUITC-QGZVFWFLSA-N 430.529 6.328 30 20 IKED CC[C@@H](C)n1ncc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1C1CC1 534246134 HQAVNCZMUJZGAW-OAHLLOKOSA-N 434.927 6.301 30 20 IKED CCc1ccccc1N(C(C)=O)c1nc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)cs1 535206496 NJPIOVOMAWJZQZ-ILBGXUMGSA-N 444.604 5.662 30 20 IKED C=CCOc1ccc(CN(Cc2csc(N(C(C)=O)c3ccccc3)n2)C(C)(C)C)cc1 535207249 QXOUHFYWWKHALJ-UHFFFAOYSA-N 449.620 6.193 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccncc2)nc2ccccc12)c1nc2cc(Cl)ccc2s1 536200678 HHESHAFEXHLILI-GOSISDBHSA-N 440.915 6.050 30 20 IKED C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 537247715 SHBFZIUZBRVLIE-GTNSWQLSSA-N 435.339 5.473 30 20 IKED C=CCN(C(=O)c1cccc(-c2ccccc2OCC)c1)c1nc(C(=O)OCC)cs1 537870159 QXANIQHVUBLGAK-UHFFFAOYSA-N 436.533 5.218 30 20 IKED C[C@H](N[C@@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc(OC(F)F)cc1OC(F)F 537948155 ZSGNOAFHDTWXKO-BONVTDFDSA-N 441.343 5.292 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1ccc(C#N)c(C(F)(F)F)c1 542005069 OLSHWFVQUVZGTR-ZDUSSCGKSA-N 435.496 5.560 30 20 IKED CCCCCNC(=O)C1CCN(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 543942958 LJKXEECTDWHWHD-HXUWFJFHSA-N 446.595 5.014 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 549387034 ZJSQGCXYZCEDRM-UHFFFAOYSA-N 432.446 5.139 30 20 IKED Cn1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c(-c2ccccc2Cl)n1 553258738 FNISAKUCWGWXOB-CYBMUJFWSA-N 427.316 5.494 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(C)c(OCC2CCOCC2)c1 554247508 XTTWNJJYMWXGQM-UHFFFAOYSA-N 440.588 5.188 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)CSCc3coc(-c4ccccc4)n3)cc2)ccn1 555081582 LFUKCZLFUAPCNQ-UHFFFAOYSA-N 442.500 5.272 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N(Cc2ccccc2C(F)(F)F)CC2CC2)cc1 568114994 ORICLNRNFMXUKG-UHFFFAOYSA-N 431.458 5.065 30 20 IKED Cc1ccc(N(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C2CCCCC2)nc1 576853561 ZIHPBYMEKQNXHV-UHFFFAOYSA-N 425.532 5.820 30 20 IKED CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 578822353 FVUKLQJUUOIALG-XMMPIXPASA-N 428.492 5.513 30 20 IKED CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 579413406 OWNFBTMUXPDFLW-UHFFFAOYSA-N 427.291 5.716 30 20 IKED N#CCC1CCN(c2nnc(Cc3cccc4ccccc34)n2Cc2cccs2)CC1 581442123 QENHDPXEAMKOGC-UHFFFAOYSA-N 427.577 5.262 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1CCC(F)(F)[C@@H](C)C1 583665535 CITNWBZYVDROCV-AWEZNQCLSA-N 433.524 5.142 30 20 IKED Cc1nc(-c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)oc1C 603940090 VRMKHRHJOHVWNK-UHFFFAOYSA-N 425.513 6.234 30 20 IKED O=C(Nc1ccc(F)cc1OCC(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 605034860 XDTCCOJXZKARLI-UHFFFAOYSA-N 442.253 5.115 30 20 IKED C=CCCCN(C)C(=O)C(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1 606139295 GMTMYZBKQLVDLG-UHFFFAOYSA-N 441.890 5.183 30 20 IKED Cc1cnn(-c2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc2)c1 609104744 MQDUOAVOQSSPSW-UHFFFAOYSA-N 426.451 5.023 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccccc1SC[C@@H](C)C#N 609376811 JZSAYMFTOQQPGI-HNNXBMFYSA-N 438.984 5.576 30 20 IKED C=CCc1cc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)cc(OC)c1OC 609434984 IWMAGKWVGHXVQV-MRXNPFEDSA-N 425.554 5.148 30 20 IKED Cc1ccc(OC2CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)CC2)cc1C 609642478 IZGYRAOUODEUNA-UHFFFAOYSA-N 440.543 5.438 30 20 IKED C[C@@](CO)(NCc1cccc(OCc2ccccc2C#N)c1)c1cccc(C(F)(F)F)c1 609711012 URXXVUDECGXOMR-DEOSSOPVSA-N 440.465 5.153 30 20 IKED C[C@H](c1ccccc1)N1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 609711857 XORQIOPAVJJDBG-LJQANCHMSA-N 441.535 5.093 30 20 IKED CN(C)[C@@H](CNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccsc1 609731265 WSLMGYAPTPGWMZ-FQEVSTJZSA-N 425.941 5.098 30 20 IKED CCOc1cc(CCCNC(=O)c2ccccc2Sc2ccccc2C#N)ccc1OC 609865696 ARPCLVJQGKYXRJ-UHFFFAOYSA-N 446.572 5.479 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cccc(Oc4nccs4)c3)c2)cc1 609906982 FBZWDTXMWVKPTG-UHFFFAOYSA-N 441.512 5.833 30 20 IKED CCSc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 609945655 YOAFESJDRCMSGV-KRWDZBQOSA-N 445.544 5.278 30 20 IKED N#CCc1ccc(NC(=O)NC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)cc1 610140815 MRNMAGYFYXGODX-UHFFFAOYSA-N 441.531 5.159 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F 610174925 NLRLRBPGPDFVQE-KBPBESRZSA-N 426.410 5.732 30 20 IKED CSc1nc(C(C)(C)C)nc(C)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 610753728 ISPURGQRKDWNBB-UHFFFAOYSA-N 433.537 5.116 30 20 IKED N#Cc1cc(Cl)c(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)c(Cl)c1 611093387 MIAWEPRWMLDBOA-QGZVFWFLSA-N 440.733 5.224 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1sc(-c2ccccc2)nc1C(F)F 611186024 LOBMKJXINHWMAJ-ZDUSSCGKSA-N 429.517 6.252 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3occc3CSc3ccccc3)n2)cc1 613318047 JYSFZQABBGSBRS-HXUWFJFHSA-N 430.554 6.494 30 20 IKED O=C(NCC#Cc1ccccc1)c1ccccc1SCc1ccc(Br)cc1 615359882 FIFGGQJEYBUIII-UHFFFAOYSA-N 436.374 5.523 30 20 IKED Cc1nc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)sc1Cc1ccccc1Cl 618445204 HKSQBTRIPLAQAJ-UHFFFAOYSA-N 436.751 6.127 30 20 IKED Cc1c(Cl)cc(F)c(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1F 677781409 WLZSHKALTFPCDT-HTQZYQBOSA-N 438.746 5.958 30 20 IKED C[C@@]1(c2ccc(F)cc2)CCN(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C1 684655859 VDJZODWQRRTXQH-YQYZPQCESA-N 440.403 5.408 30 20 IKED CC(C)CC(=O)N[C@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 727368937 RPRMYHDSQRNZCW-RSXGOPAZSA-N 425.532 5.184 30 20 IKED N#Cc1cccc(COc2ccc(NCC(=O)Nc3ccc(F)cc3F)cc2Cl)c1 728053184 RKIBLZGHTLXIPM-UHFFFAOYSA-N 427.838 5.119 30 20 IKED Cc1cc(C)c(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(C)c1 728065500 JRWGPXPYXPWAOJ-NRFANRHFSA-N 427.548 5.810 30 20 IKED N#CCCN(CC1CC1)Cn1nc(Nc2ccc(SC(F)F)cc2)sc1=S 728904680 SFAJFPJFROZIPI-UHFFFAOYSA-N 427.571 5.316 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 729649613 BIAOSQPLROYLMQ-UHFFFAOYSA-N 434.879 5.106 30 20 IKED CCc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 730377538 WLTXLBQMXONIHP-INIZCTEOSA-N 432.451 5.236 30 20 IKED CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1cnn(-c2cccc(Cl)c2)c1C 731559005 PKCOJJFPCKVZLL-UHFFFAOYSA-N 444.848 5.632 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(S[C@H](C)CC)cc2C)ccc1OC 733630128 LYSMMHMNYDNZFN-IEBWSBKVSA-N 441.597 5.897 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3ccccc3OC)c(F)c2)c1 733844308 IEDILEZWGBPYSG-LJQANCHMSA-N 449.482 5.629 30 20 IKED C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1cccc(COc2ccccc2C#N)c1 734103588 VKDOXHLGCVEGIP-BVFVYWQFSA-N 426.516 5.128 30 20 IKED CC(=O)N(c1nc(C=NNc2ncnc3scc(-c4ccc(C)cc4)c23)cs1)C1CC1 734297387 YZRSUMFCRTXKSN-UHFFFAOYSA-N 448.577 5.085 30 20 IKED C=CC[C@H](NC(=O)CCCCCc1ccc(I)cc1)c1ccncc1 734458349 XSIKJSFRLQTCFV-FQEVSTJZSA-N 448.348 5.223 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1cccc(COc2ccc(C#N)cc2)c1 734586082 OEVKSFYNQLLGDL-UHFFFAOYSA-N 442.515 5.365 30 20 IKED CN(C)[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1c(F)cccc1F 734643629 DESYXZYVJNTPSS-OFNKIYASSA-N 434.490 5.045 30 20 IKED C=CC[C@H](NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccncc1 734656046 YAGPZIZUTPAWGX-DEOSSOPVSA-N 441.510 5.190 30 20 IKED N#CCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 735014715 DDFGOOAXKGODEI-UHFFFAOYSA-N 440.286 5.400 30 20 IKED Cc1c(C(=O)OCc2cc(Cl)ccc2OCC#N)sc2nc(C(F)(F)F)ccc12 735340697 JREFMYHZVCGJHD-UHFFFAOYSA-N 440.830 5.536 30 20 IKED C[C@H](OC(=O)/C=C\c1ccnc2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCCC2 735554293 KQKVIOIVPMFDAV-JNSOCZORSA-N 445.544 5.020 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(C)c(NC(=O)NC(C)(C)C)c1 741110883 BFKFGVQKYUDERX-FQEVSTJZSA-N 448.567 5.001 30 20 IKED N#CCCCOc1cccc(/C=C2/SC(=S)N([C@@H]3CCc4ccccc4C3)C2=O)c1 743283996 HKEDPRNROPQCEZ-INKLHFNDSA-N 434.586 5.128 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C=NNc1ncnc2c1oc1ccccc12 744788676 VCNFUWWJJTVAJX-UHFFFAOYSA-N 434.862 5.168 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3cc(Cl)ccc3Oc3ccc(F)cc3)o2)c1 744867590 NCLDDVJVKMVQRD-UHFFFAOYSA-N 449.825 5.550 30 20 IKED CCc1ccccc1O[C@@H](C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 744980552 HMKYLWOYHBURIV-XMMPIXPASA-N 439.471 5.034 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNCc2nc(-c3cc(Cl)ccc3Cl)cs2)c1 754061203 SYYFRKFYFIDTSF-INIZCTEOSA-N 432.376 6.088 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)NCCSCc1ccccc1C#N 754475607 QKBVDBXMXFNXDV-UHFFFAOYSA-N 440.569 5.269 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)cc1Cl 758569443 ROKAKWQNFKCNFG-WPYKKVEZSA-N 449.938 5.708 30 20 IKED N#Cc1ccccc1-c1ccc(COC(=O)[C@@H](OC2CCOCC2)c2ccccc2)cc1 758732638 JSAIPEWQHUBEGW-SANMLTNESA-N 427.500 5.205 30 20 IKED N#C[C@@H](C(=O)CCCc1cccc(Br)c1)c1nc2ccccc2n1C(F)F 761048169 MWZZGCNZMQODOL-HNNXBMFYSA-N 432.268 5.393 30 20 IKED C[C@H](c1ccc(-c2cccc(C#N)c2)cc1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 761977137 GKZCSYBTONDILZ-MRXNPFEDSA-N 445.906 5.110 30 20 IKED C#CCN(C(=O)NCc1ccc(C(F)F)cc1)[C@@H]1CCOc2ccc(Br)cc21 765321844 FTPLXQIDLYHPHR-GOSISDBHSA-N 449.295 5.055 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)C1CCN(C(=O)OC(C)(C)C)CC1 766350446 LMILLOYKHGSXKM-RHSMWYFYSA-N 445.560 5.285 30 20 IKED O=C1/C(=C/c2cncc(Br)c2)CCC/C1=C\c1cncc(Br)c1 767340990 LXXDBIJAQBDIOH-VHUAAIQRSA-N 434.131 5.222 30 20 IKED N#C[C@H](C(=O)CCCc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1Cl 770845560 BRJAYHPPUPYRHA-OAHLLOKOSA-N 443.252 5.682 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1cn(C)c2ccccc12 773984940 WYIJNNJTSNTKFZ-SWLSCSKDSA-N 427.451 5.787 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(C3CCCCC3)nc2C)cc1Cl 775229039 YJVDNPUNHLDIAI-OAHLLOKOSA-N 431.945 5.122 30 20 IKED N#CCc1ccc(COC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 776111651 KMANAAJPEBFYCJ-QHCPKHFHSA-N 432.907 5.011 30 20 IKED N#CC1(c2ccc(COC(=O)Cc3csc(COc4ccc(Cl)cc4)n3)cc2)CC1 777144148 JDIIHDMVTBCOND-UHFFFAOYSA-N 438.936 5.217 30 20 IKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 780306379 VWNDYOKGWPCWFE-FQEVSTJZSA-N 439.446 5.011 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)NCc2ccc(F)c(F)c2)sc1-c1cccc(Cl)c1 786569549 LCEHYXHBZYDQTA-INIZCTEOSA-N 444.890 5.294 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)c1ccc(OC(=O)c2cc(-c3cccc(C#N)c3)no2)cc1 791010569 GHTBDDDFJSVFCG-OAHLLOKOSA-N 433.464 5.018 30 20 IKED N#C[C@H](C(=O)Cc1cccc(OCCCOc2ccccc2)c1)c1nccc2ccccc12 792093067 HMGKIVBLUOAJQL-AREMUKBSSA-N 436.511 5.502 30 20 IKED Cn1nc(C(F)(F)F)c(C=NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)c1Cl 794980785 DYTQRXVJXBKTOI-UHFFFAOYSA-N 448.758 5.014 30 20 IKED N#C[C@H](C(=O)CN1CCC([C@@H](F)c2ccccc2F)CC1)c1nc2ccccc2s1 796138635 TYJQBDSPSCRIJW-VGOFRKELSA-N 425.504 5.034 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccnn2-c2ccccc2)cs1 798372260 JWFBAXCJDINYRQ-JLHYYAGUSA-N 428.517 5.218 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 802560738 JCZVNLWUZBLUPZ-UNMCSNQZSA-N 437.975 5.174 30 20 IKED CCOC(=O)[C@@H]1C/C(=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)C(=O)c2ccccc21 802708505 VBXSXRVQKFCPGL-XMUSRXTASA-N 434.473 5.035 30 20 IKED COc1cc(OC)cc(Oc2cccc(CNC(=O)Nc3ccccc3O[C@@H](C)C#N)c2)c1 806400694 KPLSTVRRUITILY-KRWDZBQOSA-N 447.491 5.109 30 20 IKED O=C(O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1nc(Br)ccc1F 809326598 MRMPXRWLLJSXHM-LBPRGKRZSA-N 446.116 5.462 30 20 IKED N#Cc1sc(NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)nc1Cl 813370876 SEWGLNMKJNHSKW-UHFFFAOYSA-N 430.276 5.020 30 20 IKED CCC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccccc1OC(F)F 814850309 IKLLPLIAFVCHGK-UHFFFAOYSA-N 437.372 5.385 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCNC(=O)c2ccc3ccccc3c2)cc1 915085563 NPWXITZEOQROLC-AREMUKBSSA-N 433.511 5.254 30 20 IKED C=CCN(C(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(OC)c1OC)CC2)C(C)C 915155258 LEGAPEWUHBLBQS-ZPHPHTNESA-N 442.559 5.775 30 20 IKED CC(=O)Nc1cccc(NC(=S)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 916025589 FKPUWDFVABJGGS-UHFFFAOYSA-N 430.533 5.099 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cc2ccccc2nc1O 916272567 BPPCWSQIMCQAKW-UHFFFAOYSA-N 446.919 5.223 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc2c(F)cccc2s1 916908191 MBOVMZBPSPNDCX-KRWDZBQOSA-N 430.460 5.794 30 20 IKED CCOc1cc2c(cc1/C=C/C(=O)[C@H](C#N)c1nc(-c3ccccc3)cs1)O[C@@H](C)C2 917026003 VGDPXWWVKDCIJQ-AFNCWWAVSA-N 430.529 5.422 30 20 IKED CN(Cc1ccc2ccccc2c1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 918302364 PSNDAHWWQWWXTN-SANMLTNESA-N 433.511 5.092 30 20 IKED C[C@H](OC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)C(=O)Nc1sc2c(c1C#N)CCCCC2 919368717 IKSXLNMLUYYALW-IHRRRGAJSA-N 442.503 5.128 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCC(=O)c3ccc4ccccc4c3)n2)cc1 920139178 OEYQXBOALZFULE-QFIPXVFZSA-N 440.524 5.811 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CSc3ccc4ccccc4c3)n2)cc1 920142328 UYVWMCJDNIEUQM-OAQYLSRUSA-N 425.538 5.804 30 20 IKED N#CCCC(=O)NC1(c2ccc(NC(=O)/C=C/c3cccc(C(F)(F)F)c3)cc2)CCC1 1786598538 MKRHSOQXVYZXRM-KPKJPENVSA-N 441.453 5.156 30 20 IKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3c4ccccc4n4ccsc34)CCC2)cc1 1787886617 LTJWMABKUJFLCH-UHFFFAOYSA-N 442.544 5.205 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4cccs4)CCC3)cc2)cc1 1790287465 DMLWRNNLLFCUJD-OUKQBFOZSA-N 427.529 5.081 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4[nH]c(C)cc4c3)cc2)CCC1 1790988993 RSDWXJFAXFTSNM-SFHVURJKSA-N 446.551 5.025 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OC(C)C)c(Cl)c1 1800313701 MJMCCFLVAWKSFU-WOZUAGRISA-N 445.003 5.147 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c2c(Cl)cccc12 1801104296 FZUPLBVFCVHTHS-BJWYYQGGSA-N 427.976 5.066 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c(C(C)(C)C)c2)n[nH]1 1816111116 LSMGNUBWJNLCCM-IBGZPJMESA-N 439.604 5.334 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccsc2)[nH]n1 1819553042 PRHHVYHABOVNFQ-CSHXORCISA-N 426.586 5.169 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C)cc2OC)[nH]n1 1819557085 XDKWXPHMMYKAFI-FQEVSTJZSA-N 438.572 5.025 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ccncc23)n[nH]1 1821416378 ZPTMJMQAFSUTRE-JOCHJYFZSA-N 445.567 5.256 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)[nH]n1 1821920066 CQJJPEHPCSFSJK-RDTXWAMCSA-N 440.544 5.282 30 20 IKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3CCCCC3)CC2)c(Cl)c1 1826282046 BIHTWSLKMVLNGL-HSZRJFAPSA-N 442.003 5.025 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(F)cc2F)CC1 1828827810 VOPLGCYUEHMOIC-MBSDFSHPSA-N 448.529 5.106 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CCC)cc2)CC1 1830106242 YTNZJMQCQBYSIP-QFIPXVFZSA-N 432.555 5.084 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)ccc2F)CC1 1830555127 QXTLDSZEAASESM-XUZZJYLKSA-N 426.576 5.136 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccccc2)C(C)C)CC1 1831442209 PMUPSRQUEJUZJW-PKTZIBPZSA-N 446.582 5.257 30 20 IKED COc1cccc(/C=C2\C[C@H](C)Cc3c2nc2ccccc2c3C(=O)O[C@@H](C)C#N)c1OC 8952652 OACSSRBKENZVHH-ITOAWLMLSA-N 442.515 5.444 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccccc2CC)c1 10174676 MJTXPJNDLCERQG-UHFFFAOYSA-O 425.524 5.428 30 20 IKED CCOc1ccc(-n2c(SCc3ccc(C#N)cc3F)nnc2-c2ccncc2)cc1 10250049 NVDHCFLQEMIILU-UHFFFAOYSA-N 431.496 5.031 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2ccc(C)c(C)c2)cc1 11160099 FPBCSUQCEDTSLP-UHFFFAOYSA-O 434.541 5.112 30 20 IKED CCc1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2ccc(C)c(C)c2)cc1 11160285 CIAFSSFFTBSFBW-UHFFFAOYSA-O 434.541 5.112 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(C)cc2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 22799781 FIRXHJBTTOBSKR-UHFFFAOYSA-O 441.979 6.078 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(CN2CCCC2=O)c1 30480675 BIUNJRNRACBTIZ-UHFFFAOYSA-N 427.529 5.084 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)nnc1-c1ccco1 45643471 LUDZWOQLIZDYHD-JOCHJYFZSA-N 444.560 5.813 30 20 IKED Cc1c(C#N)c(S[C@H](C)c2nc3scc(-c4ccccc4)c3c(=O)[nH]2)nc2c1CCC2 60716144 HFRCDVDSXKFXDJ-CQSZACIVSA-N 444.585 5.569 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 61967432 KOJKEAIXGQTAGG-CYBMUJFWSA-N 428.275 5.458 30 20 IKED C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1ccccc1Sc1ccccc1C#N 63499217 BWULNDGJGQAHMZ-INIZCTEOSA-N 429.570 5.680 30 20 IKED N#C[C@H](C(=O)c1csc(Br)c1)c1nc(-c2c(F)cccc2F)cs1 64715298 QIFYIFPJNNAAMN-SECBINFHSA-N 425.279 5.402 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1ncc(-c2ccccc2F)o1 106116713 SNUMCHKQFJHARW-UHFFFAOYSA-N 442.450 5.419 30 20 IKED N#C[C@@H](C(=O)CSc1nc2ccc(Cl)cc2o1)c1nc(-c2ccccc2)cs1 110965390 OCNJNXCIDARODZ-AWEZNQCLSA-N 425.922 5.573 30 20 IKED COc1ccc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)N(C)CCC#N)cc1 212460029 YZIMKMTWLDCHAY-FBKQIBBUSA-N 425.532 5.352 30 20 IKED CCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 261395675 MLHQZJCOBZCSCV-NFBKMPQASA-N 443.547 5.028 30 20 IKED C=CCN(C(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl)c1nc(C(=O)OCC)cs1 409870800 OXLJDBJIPWSUDH-LBPRGKRZSA-N 427.353 5.024 30 20 IKED COc1ccc2c(c1)c(C(=O)Nc1ncc3cc(C#N)ccc3n1)c(C)n2C1CCCC1 429037755 AKNSHLONUVDVQY-UHFFFAOYSA-N 425.492 5.141 30 20 IKED Cc1nc([C@@H]2CCCOC2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 429684590 UJURKSJRGJXZOB-GDBMZVCRSA-N 443.981 5.613 30 20 IKED CCn1ccnc1[C@@H]1CCCCN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 435999236 YPIILYHEDNBBOC-NRFANRHFSA-N 434.927 5.588 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)Nc1ccccc1SC[C@H](C)C#N)C1CC1 438080476 XKZXLUZOONILRD-CVEARBPZSA-N 447.526 6.715 30 20 IKED CSc1ccc([C@@H](C)NCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)cc1 439483712 LLLMAKCYYUZQTG-GOSISDBHSA-N 432.593 5.036 30 20 IKED CN(C(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2)c1ccc(C#N)cc1 440048239 DENOGZUCGCDXAD-UHFFFAOYSA-N 444.844 5.181 30 20 IKED CCCc1c(NC(=O)c2cc3c(C(C)C)nn(C)c3s2)cnn1-c1cccc(C#N)c1 440081323 SHPIMVLZTCPHNY-UHFFFAOYSA-N 432.553 5.020 30 20 IKED Cc1nc(-c2ncccn2)sc1C(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 460333944 WTNFQCCKOMUFOM-UHFFFAOYSA-N 445.935 5.281 30 20 IKED Cc1nnc(-c2cccc(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)c2)o1 460393886 KWBPRYSJWPPNRH-UHFFFAOYSA-N 430.851 5.615 30 20 IKED C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(C)[C@H](C)c1sc(-c2ccc(C)cc2)nc1C 460767990 GQHKREPUQLFWAI-QUCCMNQESA-N 437.613 5.643 30 20 IKED CCCNc1ccc(C#N)cc1NC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 461659174 QQNPDAONBGDEKD-UHFFFAOYSA-N 430.483 5.332 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 463537260 TYUSUJOBENUVDA-CQSZACIVSA-N 437.858 5.009 30 20 IKED Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 464422145 PRRJEVFXLSRSFO-INIZCTEOSA-N 429.467 5.681 30 20 IKED N#CCCCOc1cccc(N[C@@H](c2cccc(Br)c2)C2CCOCC2)c1 467399066 COIRNYIJORBPCC-JOCHJYFZSA-N 429.358 5.711 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 469663361 PKZDOADCAVFNKI-MRXNPFEDSA-N 427.520 5.928 30 20 IKED CC[C@H](Cc1ccc(Cl)cc1)NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470530719 IWXPXFMKFBLUDK-HXUWFJFHSA-N 438.959 5.066 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(COc3ccccc3)c2C)cc1 472735949 GPAXPDVKKUBXAB-UHFFFAOYSA-N 430.508 5.526 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 476123331 USPHBWJIWCJGGV-HSZRJFAPSA-N 440.587 6.183 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccccc1C 481365824 AKDAPDJZKPFZLV-OAHLLOKOSA-N 446.498 5.578 30 20 IKED C=C(C)[C@@H](NC(=O)N(C)[C@H](c1ccc(Cl)cc1)c1cnccn1)c1ccc(F)c(F)c1 483305973 TUCOGSXECCIJQY-FGZHOGPDSA-N 442.897 5.456 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1 483456592 QVJQFYBDLHXALA-NRFANRHFSA-N 444.535 6.104 30 20 IKED CN(C(=O)C[C@H](CC#N)c1ccccc1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 484070812 FYDRJEOYUTUPMZ-KXBFYZLASA-N 428.376 5.855 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Cc2nc(C(C)C)no2)cc1 485540585 GUNDJCJFWZLEHJ-UHFFFAOYSA-N 436.560 5.171 30 20 IKED CCC[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C)c1ccc(Cl)c(Cl)c1 486891178 CLCTVLYEKAGIAC-SFHVURJKSA-N 448.350 5.248 30 20 IKED N#CCCC[C@@H](NC(=O)c1oc2ccccc2c1CSc1ncccn1)c1ccccc1 487540423 JJANAACERNKNSX-OAQYLSRUSA-N 442.544 5.680 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3nnc(-c4ccccc4Cl)o3)o2)cc1 489787600 NXDLXYHEVSCENS-UHFFFAOYSA-N 426.885 5.297 30 20 IKED C[C@H](N[C@@H](C)c1nc(C(F)(F)F)cs1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 490075853 ZMGXDSLCMFRPJI-YUMQZZPRSA-N 436.343 6.611 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC(Cc4ccccc4CO)CC3)cc2)cc1 490370289 MGFNZGCCHNSOAD-UHFFFAOYSA-N 440.543 5.132 30 20 IKED N#Cc1ccc(Br)c(CS(=O)(=O)[C@H]2CCc3c(Cl)cc(Cl)cc32)c1 491606890 JRMDIAVCZZIRCF-KRWDZBQOSA-N 445.165 5.230 30 20 IKED Cc1nncn1-c1cccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1 497402011 AVNRLQPALXFELJ-UHFFFAOYSA-N 429.867 5.145 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 499598693 WMWWDUHMEQSWDJ-LJQANCHMSA-N 442.523 5.066 30 20 IKED Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 501440186 YJEPUWPKSYDJEQ-UHFFFAOYSA-N 439.519 5.218 30 20 IKED CSc1ccccc1[C@@H](C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 502164039 XPKRHWDAHMTNHJ-GOSISDBHSA-N 431.561 5.936 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c1 502617947 QIYGASXFEUFWDD-UHFFFAOYSA-N 438.871 5.512 30 20 IKED CCCN(CCC)C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1 503561151 HQKCDWVWUYKTGQ-GOSISDBHSA-N 438.478 5.184 30 20 IKED COCCn1c(C)c(C)c2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)ccc21 503586066 UISAAKIJCDFOLB-QFIPXVFZSA-N 443.572 5.827 30 20 IKED CC(C)(C(=O)NCc1cccc(C#N)c1)c1csc(-c2c(Cl)cccc2Cl)n1 504888687 QAUCWDAOFZYSRW-UHFFFAOYSA-N 430.360 5.583 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 505197635 OJXPDTVAPCFBRI-GOTSBHOMSA-N 444.556 5.644 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCOC[C@@H]1c1nc2ccccc2s1 505338635 IAINLMLUGHQYLD-MAUKXSAKSA-N 438.578 5.296 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2/C=C\c2ccccc2)cc1 506955668 UVRYCRRSOWWICC-WCKUGHEZSA-N 437.543 6.041 30 20 IKED CN(C)c1ccc(NC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c(C(F)(F)F)c1 509734839 KOWSDJCHZRIUKT-MRXNPFEDSA-N 437.359 5.726 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)cc1 510571348 IDWURZJHKYKINB-UHFFFAOYSA-N 443.450 5.636 30 20 IKED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(CC(=O)N(CC)c2ccccc2)cc1 511036913 GLUBCKCEVGUFHQ-UHFFFAOYSA-N 427.548 5.502 30 20 IKED C=CCOc1cccc(NC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)c1 511312098 AMKKHNPJCBLUIH-UHFFFAOYSA-N 438.593 5.387 30 20 IKED C=C(C)Cn1c(SCc2ccc(OCc3ccncc3)cc2)nnc1-c1ccncc1 517211565 KCILHSSEQZMOTL-UHFFFAOYSA-N 429.549 5.183 30 20 IKED CC[C@@H](CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 520072447 QLKPNPUYIZWKJL-MBSDFSHPSA-N 445.950 5.244 30 20 IKED CC1CCN([C@H](CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2cccs2)CC1 520197130 VVRBQQVOLISVGG-AZUAARDMSA-N 442.654 5.737 30 20 IKED N#C[C@H](C(=O)c1csc(I)c1)c1nc2cc(Cl)ccc2s1 520791536 XOCZZXWTXUVFNC-SECBINFHSA-N 444.706 5.106 30 20 IKED C[C@@H](c1ccccc1Br)N(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N 532780249 GSODWRKGMDHRJN-CVEARBPZSA-N 446.414 5.475 30 20 IKED Cn1cc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c(C(F)F)n1 535098117 CEBIFEIQZXGHIB-UHFFFAOYSA-N 436.340 5.293 30 20 IKED COc1ccc(CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1OCCCC#N 536708729 PNIMXVGRRCCQQZ-IBGZPJMESA-N 425.598 5.093 30 20 IKED CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1F 542897690 JZCMMODSZJFGQF-VLIAUNLRSA-N 447.963 5.325 30 20 IKED CN(C(=O)c1cccc(OCc2ccccc2C#N)c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 543509250 WUMCQVFFPTVKOV-AZGAKELHSA-N 444.506 5.269 30 20 IKED C=C[C@@H](Cc1nc(-c2ccc(OCc3nnc4n3CCCCC4)cc2)no1)c1ccccc1 545531026 JGRMDEZLLBCGLN-IBGZPJMESA-N 441.535 5.146 30 20 IKED C=CCC[C@H](NC(=O)N1CCC(F)(c2cccnc2)CC1)c1ccc(C(F)(F)F)cc1 551294780 LRIZCZQKXUDYRN-FQEVSTJZSA-N 435.465 5.778 30 20 IKED Cc1cc(C#N)nc(Sc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccco2)n1 553262570 BSWKDHPGXJGBOV-UHFFFAOYSA-N 443.319 5.015 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2nc(C3CCOCC3)cs2)cc1 553650546 NAYZUWYBSTWONH-UHFFFAOYSA-N 435.574 5.453 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F 554205428 MMJRAEBTZSDPGA-UHFFFAOYSA-N 444.885 5.669 30 20 IKED CC(C)(C#N)CCCCn1cnc2scc(-c3ccc(Br)cc3)c2c1=O 555864913 DFZYEEUGKBVJGA-UHFFFAOYSA-N 430.371 5.608 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1c(C)c(C(C)(C)C)nn1-c1ccccc1 558377254 MQSLZKFZUTUAQW-UHFFFAOYSA-N 448.615 5.866 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)c2ccc(Sc3ccc(Cl)cc3)cc2)CC1 558591468 JQWGWBOPEZTUSJ-UHFFFAOYSA-N 433.964 5.584 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H](Nc2ccccc2)C1 559004394 NNMFFUCRBPNVBN-SDHOMARFSA-N 443.595 5.180 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)c1 560923075 VHCHARIKZLPUTG-UHFFFAOYSA-N 442.906 5.097 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)CCCSc1ccc(Br)cc1 569602524 YCJMAPUNBRSDIA-UHFFFAOYSA-N 438.387 5.012 30 20 IKED CN(Cc1ccc(OCC(F)(F)F)cc1)Cc1cn(CCC#N)nc1-c1ccccc1 572886996 HGGMMIPAZBYBLH-UHFFFAOYSA-N 428.458 5.037 30 20 IKED C=CC1CCN(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)CC1 601121079 FESTYHDKVRRFFF-UHFFFAOYSA-N 435.421 5.527 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)c2C#N)C1 602755012 DTXHJHKTAPYLNM-VGSWGCGISA-N 443.572 5.244 30 20 IKED CCCN(CCc1cccc(F)c1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603589025 MVFMCEVAUAAPCQ-QLPKVWCKSA-N 442.419 5.699 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cncc(Br)c2)cc1Cl 603673287 YQZISMAWZAMILN-GOSISDBHSA-N 426.701 5.405 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)cn2)c1 603693584 ZMXYOLOAEYCXQL-HXUWFJFHSA-N 441.516 5.724 30 20 IKED Cc1ccc(-c2nc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)cs2)o1 603995566 IOXGKDCOQVWWRL-UHFFFAOYSA-N 428.473 5.088 30 20 IKED CCOc1ccccc1N1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 604460672 RHDOKGXSAVBEQM-UHFFFAOYSA-N 442.519 5.103 30 20 IKED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1 606588259 MAUBXKPBBKLUDD-UHFFFAOYSA-N 436.533 5.103 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CNC(=O)c2cccc(Cl)c2)cc1Cl 609163676 UTAZHYFMGUHTCV-FQEVSTJZSA-N 438.314 5.017 30 20 IKED CCN(CC)CCOc1ccccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 609297103 HJKCFUYSAGGJAJ-UHFFFAOYSA-N 447.510 5.463 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 609428268 IAYYYKNPIGPYCN-GOSISDBHSA-N 427.529 5.784 30 20 IKED COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 609432532 WOJUPFINUDICQQ-ROUUACIJSA-N 445.519 5.046 30 20 IKED CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@H](C)Cc1ccc(OC)cc1 609433697 CIKOMDZXSUDGGU-GOSISDBHSA-N 430.508 5.239 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC1 609552352 QCTJVNTXTQKUEW-UHFFFAOYSA-N 433.508 5.111 30 20 IKED Cc1ccc(OC2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)cc1 609730081 OJITYJWFOOSXAU-UHFFFAOYSA-N 428.557 5.702 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N2CC(Cc3ccc(C(F)(F)F)cc3)C2)c1 610660636 ZRDBDFNJSKNBDA-UHFFFAOYSA-N 440.421 5.064 30 20 IKED COc1cccc(C=C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)CC2)c1 610766931 USNOSXVUECNJRK-UHFFFAOYSA-N 440.503 5.465 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(Nc2cnn(C)c2)c1 610879551 FBELLAMRHHFILK-UHFFFAOYSA-N 437.503 5.175 30 20 IKED COC[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1cccc(C(F)(F)F)c1 618216036 MKXZOFKYWRXZNM-HXUWFJFHSA-N 429.442 5.081 30 20 IKED O=C(N[C@H]1CCCOc2ccc(F)cc21)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618948264 OGFIWFWNPBUHPA-MDHDOXDCSA-N 442.375 5.248 30 20 IKED C=CCn1c(Sc2ncnc3scc(-c4ccccc4)c23)nnc1-c1ccncc1 669623647 GFFONVAWDVMNHT-UHFFFAOYSA-N 428.546 5.349 30 20 IKED CC(C)Oc1cncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 678322486 BTZYXVMFCQSAKA-INIZCTEOSA-N 432.332 5.789 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN(C)Cc2ccccc2-c2ccccc2)c1=S 725783162 TUFOMURUASOLEU-UHFFFAOYSA-N 427.577 5.419 30 20 IKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(F)cc2F)c1 726570541 DWWDETMFCVPXFX-UHFFFAOYSA-O 442.898 5.409 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(C(F)F)cc2)n(C2CCCCC2)c1C 726665450 BXTCZNHERXFIEU-UHFFFAOYSA-N 429.467 5.215 30 20 IKED COc1cc(-c2noc(CON=Cc3ccc(C(C)(C)C)cc3)n2)ccc1OC(F)F 727437697 NZNODVIMLRTXTB-UHFFFAOYSA-N 431.439 5.195 30 20 IKED N#C[C@H](C(=O)[C@H]1CCOc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 728411264 FTVHMKMGQGJHNM-GOEBONIOSA-N 429.328 5.859 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3csc(-c4ccc(O)cc4)n3)cc2)c1 728607030 VMMZNXUPKKCJIG-UHFFFAOYSA-N 427.485 5.219 30 20 IKED Cc1nc(NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)sc1SCC#N 729353894 IZLLXYKXUFKFPD-MRXNPFEDSA-N 446.598 5.052 30 20 IKED N#C[C@H](C(=O)c1ccccc1OCc1cn2ccccc2n1)c1nc2cc(F)ccc2s1 730420863 HRFARHKFEBCLEV-GOSISDBHSA-N 442.475 5.152 30 20 IKED N#CCOc1ccc(CC(=O)Nc2nc(Cc3ccccc3)c(-c3ccccc3)s2)cc1 731973201 ZBGGVKLVRWXWJX-UHFFFAOYSA-N 439.540 5.484 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1OC 733656445 LEZMWOJVAAYGOI-XMMPIXPASA-N 443.547 5.288 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)c1 733806582 KOTBAVKPESYMNF-RDGATRHJSA-N 447.510 5.104 30 20 IKED N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1SC(F)F 733902247 CXYHVCJHERNHTE-UHFFFAOYSA-N 427.501 5.666 30 20 IKED CCOc1cc(/C=C/C(=O)c2c[nH]c3ccc(OC)cc23)cc(Br)c1OC 734307061 LHJGWPFBOPTUOU-VMPITWQZSA-N 430.298 5.242 30 20 IKED C#CCN(C(=S)N[C@@H](CC)c1cccs1)[C@H]1CCOc2ccc(Br)cc21 734379561 HRUMJXGDPAWSSU-IRXDYDNUSA-N 449.439 5.295 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2C[C@H](c3ccccc3C)C[C@H]2C)c1=S 738053164 AHTIKNBZWZHGPQ-WOJBJXKFSA-N 434.609 5.420 30 20 IKED C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 738814963 WRIOWGLMIVTWHI-MRXNPFEDSA-N 442.437 5.178 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2C)cs1 739424978 MXDMXOJKEHKWIQ-UXBLZVDNSA-N 441.896 5.594 30 20 IKED CCN(Cc1ccc(OC)c(OC)c1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740058681 AIYMZBGVEKWDTM-UHFFFAOYSA-N 435.549 5.036 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1NC(=O)NC(C)(C)C 741110835 AARUUNOYAXVUIR-FQEVSTJZSA-N 442.519 5.029 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cccc(-c3ccncc3)c2)cs1 741472763 JUAZZVVWMNGOMO-FLIBITNWSA-N 439.540 6.094 30 20 IKED O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc2c(c1)COC2 742436089 FZPLGXDOVNBBJE-RUDMXATFSA-N 438.310 6.172 30 20 IKED CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 742961684 MPUWYSCJQUYNQH-IEBWSBKVSA-N 439.487 5.122 30 20 IKED C=CCn1c(Cc2ccccc2)nn(CN2CC[C@@H](CSc3ccccc3)C2)c1=S 743383491 RJXAJXURTHJPGV-OAQYLSRUSA-N 436.650 5.263 30 20 IKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C2CC2)c1 743525485 QKSBQPKPPWGEKV-LJQANCHMSA-N 445.947 5.219 30 20 IKED CCOc1cc(C=NN=C(C)c2cnccn2)ccc1OCc1c(Cl)cccc1Cl 745200695 KCMDRCAFLDXUMU-UHFFFAOYSA-N 443.334 5.604 30 20 IKED O=C1/C(=C/c2ccc(F)c(F)c2)CN(Cc2ccccn2)C/C1=C\c1ccc(F)c(F)c1 747317487 WITQAFSSHZMTHF-VNIJRHKQSA-N 438.424 5.190 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 748003780 JZJAJQZOMIAYIU-IBGZPJMESA-N 448.504 5.022 30 20 IKED COc1ccc(/C=C2/CCc3cc(SC(F)F)ccc3C2=O)cc1OCCCC#N 750917452 UMULEAZPGODZIG-ATVHPVEESA-N 429.488 5.905 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cn1nc(-c2ccccc2F)n(C2CC2)c1=S 751934529 RKXVHSRYXMDGGC-UNMCSNQZSA-N 433.556 5.284 30 20 IKED N#CCCn1cc(C(=O)CN(Cc2ccccc2)C[C@@H](O)c2cccs2)c2ccccc21 756058965 XYXVXXBWEHRKMD-RUZDIDTESA-N 443.572 5.035 30 20 IKED CC[C@@H]1CN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC[C@@H]1NC(=O)OC(C)(C)C 757882934 PNPBDJODJQLZLT-KURKYZTESA-N 446.617 5.095 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Nc2ccc(OCc3cccnc3)cc2)c1 758474252 REKDRZJDKZRRLV-NRFANRHFSA-N 428.536 5.025 30 20 IKED N#CCc1ccc(C(=O)OCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)cc1 758695189 DSCXMXUBZWANGZ-UHFFFAOYSA-N 432.090 5.162 30 20 IKED CC1(CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)CC1 759605619 RXFLPGVJDHPGDP-UHFFFAOYSA-N 428.213 5.161 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2sccc2C(=O)NC2CC2)cc1Cl 761666479 XXRNBYNUYVOAGM-UHFFFAOYSA-N 437.908 5.210 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNCc2cccc(C)c2)cs1 764713800 DMKMKDVLWPKUKZ-UHFFFAOYSA-N 432.471 5.279 30 20 IKED COc1cc2c(cc1NC(=O)[C@H](C#N)c1nc(-c3ccccc3)cs1)oc1ccccc12 768126066 KWHBHWFKVRZFQX-SFHVURJKSA-N 439.496 5.964 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)Nc2ccc(C#N)cc2Cl)cc1 768994347 BKWFITFVPSUNFV-AWEZNQCLSA-N 428.920 5.119 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCC1 770440012 AAKYTCANWFNRRZ-VQIMIIECSA-N 446.617 5.286 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)cc1 775486502 CHPCREAGQDABPP-LADGPHEKSA-N 436.515 6.242 30 20 IKED C[C@@H](N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1ccc(OCC#N)cc1 776162381 GKYHDDFGTXPJRT-NSYGIPOTSA-N 434.923 5.454 30 20 IKED Cc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccccc1SCc1ccc(C#N)cc1 779186168 DYZCZPWWBPYBFJ-SFHVURJKSA-N 430.529 5.343 30 20 IKED CC(C)(C)n1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c(Br)n1 779860594 CXFWECIWBVACOA-UHFFFAOYSA-N 439.313 5.317 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C(F)(F)F)cc1 780484923 HHLRICPZOSUIBI-FGZHOGPDSA-N 439.437 5.776 30 20 IKED N#C[C@H](C(=O)NC1CCCCC1)C(=O)c1ccc(-c2ccc(Br)s2)s1 782581918 SUXGXTPEHLWBEK-LBPRGKRZSA-N 437.384 5.010 30 20 IKED CSc1nc(C2CC2)cc(C(=O)O[C@@H](C)c2nnc(-c3ccccc3F)s2)c1C#N 782611915 VMDDKLNBWUCJQL-NSHDSACASA-N 440.525 5.128 30 20 IKED N#C[C@H](C(=O)CCc1cc(F)ccc1Br)c1nc2ccccc2n1C(F)F 784833297 HQQGXASXQCFDMS-CYBMUJFWSA-N 436.231 5.142 30 20 IKED CCc1c(NC(=O)NCc2cccc(O[C@H](C#N)CC)c2)cnn1-c1ccc(Cl)cc1 792487670 HTJBHAXMKQUKPU-IBGZPJMESA-N 437.931 5.091 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 793472824 ALNZLNFYRJKESJ-SFHVURJKSA-N 433.430 5.356 30 20 IKED COc1cc(C(=O)/C=C/c2c(C)nn(-c3ccccn3)c2Cl)ccc1SC(F)F 794708317 RPNKFMAKPJHTFY-BQYQJAHWSA-N 435.883 5.449 30 20 IKED Cc1ccc(N2CCOCC2)cc1NC(=O)c1ccccc1Sc1ccccc1C#N 797595181 NLYNZWFHTSALJE-UHFFFAOYSA-N 429.545 5.107 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OC 798109291 QYXDCBJANPCMAY-JTDSTZFVSA-N 448.350 5.038 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1sc(-c2ccc(OC)cc2F)nc1C 799924168 KZBKMXZUHYFZGB-UHFFFAOYSA-N 446.507 5.015 30 20 IKED N#CC1(CCCOC(=O)/C(=C\c2ccc(Cl)cc2)c2ccc(F)cc2)CCOCC1 800075791 DWKJTEYQVKDFDC-JWGURIENSA-N 427.903 5.663 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2[C@H]3CC[C@H]2CC(Cc2ccccc2)C3)ccc1OC 806807053 UHAMMGFWUMNEPA-KMDXXIMOSA-N 447.579 5.071 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ncc(-c2ccccc2)s1 811631595 FITUSNJQCFVUNX-UHFFFAOYSA-N 428.542 5.439 30 20 IKED C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)c1ccc(N)cc1 815591050 UWNFGOBKIVNGGG-MRXNPFEDSA-N 446.576 5.232 30 20 IKED N#Cc1cccc(COc2ccc(NCc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1 864004554 RLLCOYVSMKJFBE-UHFFFAOYSA-N 427.382 5.676 30 20 IKED C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2sccc2Br)no1 904895793 NHIPFOGVHKXEOP-SNVBAGLBSA-N 434.743 5.269 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1nc2ccccc2s1 915097826 AUJLMRHVHSQSBZ-WBVHZDCISA-N 444.343 5.084 30 20 IKED COc1cc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)ccc1OCC(=O)O 916138471 QNHFAQPZRYDGJS-QGOAFFKASA-N 445.496 5.192 30 20 IKED N#C[C@H](C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 916844673 USEBTBIUBGDPRW-XXBNENTESA-N 431.948 5.915 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(COc2ccc(Cl)cc2)cc1 916885074 MCALMMXSCAJLFE-OAQYLSRUSA-N 439.298 5.534 30 20 IKED CCCCOc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1OC 916928050 TZTIFJOORGNRAE-HNNXBMFYSA-N 435.307 5.142 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnn(-c3cccc(Cl)c3)c2C)cc1 916951154 XIKUWEGBQFMQIM-YCRPNKLZSA-N 434.927 5.309 30 20 IKED Cc1oc(-c2cccs2)nc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917043364 KDBLAFCCTANNKH-LLVKDONJSA-N 433.436 5.830 30 20 IKED N#C[C@H](C(=O)/C=C\c1ccc(Br)o1)c1nc2cc(C(F)(F)F)ccc2s1 917044825 VITPUBJMEODOCL-CJHWANRJSA-N 441.228 5.560 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 917047132 RQJPDZUKTWOKLX-INIZCTEOSA-N 441.940 5.716 30 20 IKED Cc1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c(Br)c1 917047175 SQIAZQLZLPTXNP-YPMHNXCESA-N 449.757 5.664 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(OCCC(C)C)CC2)c1=S 917466291 UMLPQMUKXNLRGJ-UHFFFAOYSA-N 435.037 5.405 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2ncnc3sc4c(c23)CCC4)cs1 917535456 GQIAMFAYQYISIE-UHFFFAOYSA-N 448.577 5.076 30 20 IKED CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc2ccccc2c1 917700551 JIMURRWVCDQZIY-JOCHJYFZSA-N 445.544 5.023 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 918431304 LJWZYBUGLVIGHY-UHFFFAOYSA-N 425.492 5.351 30 20 IKED COc1ccc(-c2cc(C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)sc2C)cc1 920105610 BNATZGKBJIACCK-FQEVSTJZSA-N 428.513 5.727 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3c(C)nn(CC(C)C)c3C)n2)cc1 920139185 OLMOTQODKSMVEW-NRFANRHFSA-N 436.581 5.097 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccc4n[nH]cc4c3)cc2)CCC1 1788432938 QDYFLNWGOPFKPP-UHFFFAOYSA-N 428.536 5.079 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc4ccccc4n3C)cc2)CCC1 1788887149 NAAWHZBZSLATBO-UHFFFAOYSA-N 437.490 5.137 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(F)c(F)cc4[nH]3)cc2)CCC1 1789231478 LXQPIJOZLGGGMT-HNNXBMFYSA-N 437.490 5.406 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3cccc([N+](=O)[O-])c3)CCC2)cc1 1789449127 NSCBKDFLKXITQQ-HSZRJFAPSA-N 447.535 5.040 30 20 IKED Cc1cccc(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)n1 1789508725 DLFZDPUAOADPOO-UHFFFAOYSA-N 447.655 5.189 30 20 IKED N#CCC(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccccc4)c(F)c3)cc2)CCC1 1790094646 NYIQKQQXPCPURI-UHFFFAOYSA-N 427.479 5.154 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4c[nH]c5ccccc45)CCC3)cc2)cc1 1790289916 ZYOBOAVSIVUYHG-UHFFFAOYSA-N 448.526 5.030 30 20 IKED CC1(C)CCC(CC(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)c[nH]4)CCC3)cc2)CC1 1790569212 MMKRBDKGKKACST-UHFFFAOYSA-N 432.568 5.241 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCC2CCCC2)[C@H]1c1cccnc1 1806198414 RXLPXGRDDPPUFI-LADGPHEKSA-N 425.617 5.050 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C)c(C)c2)[C@@H]1c1cccnc1 1810505393 SUWLXGMSTVSHMN-BJKOFHAPSA-N 433.596 5.010 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3nc(C)ccc3o2)CC1 1828824602 MAGCUMZNMVFHMW-FYYLOGMGSA-N 449.595 5.138 30 20 IKED CC(C)=CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830722750 PSISOXPOEXBUBK-QHCPKHFHSA-N 442.003 5.191 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)cccc2F)CC1 1832548289 OLHQEEZZEUFAPS-JTHBVZDNSA-N 426.576 5.136 30 20 IKED Cc1nc(SCC(=O)N(CCC#N)c2cccc(Cl)c2)c2c(C)c(C)sc2n1 9788764 IXMYGNAGFKXTLX-UHFFFAOYSA-N 430.986 5.309 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2cccc(C)c2)cc1 10167402 ZADBLAFYSXGGIJ-UHFFFAOYSA-O 445.652 6.854 30 20 IKED CC(=O)N(c1nc(COC(=O)CCc2ccc(C#N)cc2)cs1)c1c(C)cc(C)cc1C 12957795 PFRKYERSMAUXOF-UHFFFAOYSA-N 447.560 5.301 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 14070347 GIVCZUYHNRCXGD-CQSZACIVSA-N 447.391 5.407 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccccc2CC)cc1 22693974 FPMBICUOZLNFAQ-UHFFFAOYSA-O 433.597 5.603 30 20 IKED C=CCn1c(SCC(=O)N[C@H](CC)c2ccc(Cl)cc2)nnc1-c1ccoc1C 23519002 OUFAPOZYJHLBCH-GOSISDBHSA-N 430.961 5.046 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(C2SCCS2)c1 26087988 QXDDJRMOWQSZQI-UHFFFAOYSA-N 434.611 6.440 30 20 IKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2F)c1 27493673 ADHHBDJIPIZGEE-UHFFFAOYSA-N 444.915 5.113 30 20 IKED C=CCNc1nnc(SCc2nc3sc(C)c(-c4ccc(C)cc4)c3c(=O)[nH]2)s1 36885310 KZPXKRBWICBJNF-UHFFFAOYSA-N 441.607 5.010 30 20 IKED C=CCc1cc(C(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)cc(OC)c1OC 60439468 WWUPUCRNPFMXRV-UHFFFAOYSA-N 449.591 5.366 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)S(=O)(=O)c2ccccc2C(F)(F)F)cc1 64950942 SOZAPLICUVMZSQ-UHFFFAOYSA-N 448.441 5.107 30 20 IKED CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)n1 110601382 XTKUHUZTPYDBQZ-UHFFFAOYSA-N 444.413 5.099 30 20 IKED C[C@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1C(=O)c1ccc(C#N)cn1 216993887 VETGTEXVLNETFN-KXBFYZLASA-N 426.907 5.437 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)N(CCc1ccccc1)c1nc2ccccc2s1 302924786 AQZBAJVTSNIWEM-SFHVURJKSA-N 427.529 5.211 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3C[C@H]3c3c(F)cccc3Cl)s2)cc1 303849888 RNPAGXRDHKKKOS-ZIAGYGMSSA-N 444.944 5.237 30 20 IKED N#CCCC[C@H](NC(=O)NCc1ccc(Cn2cnc3ccccc32)cc1)c1ccccc1 431873576 UKPPAPIAIKKPKY-DEOSSOPVSA-N 437.547 5.319 30 20 IKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)N(C)CC(C)(C)C#N 432762182 DBAPEKRPBUPJFR-UHFFFAOYSA-N 432.446 5.280 30 20 IKED CCCOc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(C)c1 437264433 DYNNCBGIEJASAA-UHFFFAOYSA-N 447.466 5.164 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)cc1F 437498302 HYJPMKMZUGKRFF-IBGZPJMESA-N 432.451 5.300 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 437844351 QDBUNSFIZWYXAG-ILBGXUMGSA-N 438.531 5.551 30 20 IKED O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 438474384 HUEDZPRDSDNTMP-NWDGAFQWSA-N 437.359 5.129 30 20 IKED COc1ccccc1NC(=O)c1ccc(NC(=O)N[C@H](CCC#N)c2ccccc2)cc1 439309585 ISHZERJUELNECW-OAQYLSRUSA-N 428.492 5.114 30 20 IKED CCCc1c(NC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)cnn1-c1cccc(C#N)c1 439673314 MKVPPMZJUKAKKI-QHCPKHFHSA-N 441.539 5.092 30 20 IKED Cc1ccccc1[C@H](CC(F)(F)F)NCC(=O)Nc1ccccc1SC[C@@H](C)C#N 444779476 BZIQPVWNSHIDNR-KXBFYZLASA-N 435.515 5.469 30 20 IKED COc1ccc([C@@H]2CCCCCN2C(=O)CNc2ccccc2SC[C@H](C)C#N)cc1 446621433 AWUSCSQUMAEFQJ-XXBNENTESA-N 437.609 5.503 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(OCc2ccccn2)cc1 460873742 LQEASOCPHVJRSP-UHFFFAOYSA-N 449.510 5.672 30 20 IKED CC[C@H](C)Sc1ccc(NS(=O)(=O)c2ccc(C#N)cc2OC)c(C(F)(F)F)c1 464410029 LVEUXBSOXKCZEP-LBPRGKRZSA-N 444.500 5.277 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)NCCOc1ccc(C#N)cc1 465913575 ZGIWHSKZDGINQN-HNNXBMFYSA-N 440.956 5.083 30 20 IKED COc1cccc(O[C@@H](C)CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 466194610 HYXXOSCFJASGHG-SFHVURJKSA-N 431.492 5.257 30 20 IKED CCN(CC)C(=O)Nc1ccc([C@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 468908110 GTKINMUCEBJZSW-IBGZPJMESA-N 447.583 5.316 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(C(=O)c4cc[nH]c4)cc3)c2)cc1 468921873 JDMYAIBHHHYLBR-UHFFFAOYSA-N 435.483 5.143 30 20 IKED N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)cc1 470928215 FJPUIQHVIIUBOG-QGZVFWFLSA-N 436.393 5.085 30 20 IKED Cc1cc(NC(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)nn1CCC#N 471370724 ODVCWXLALHARIC-UHFFFAOYSA-N 431.283 5.243 30 20 IKED N#C[C@H](NC(=O)c1ncoc1-c1ccc(F)cc1)c1ccc(OCc2ccccc2)cc1 472355406 XRBSDSWPAZITMD-QFIPXVFZSA-N 427.435 5.054 30 20 IKED Cc1c(COc2ccccc2)cccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 472868763 BYXSOAGSYXTNAF-UHFFFAOYSA-N 441.531 5.521 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1 474436116 UVZYPADMCMXTNM-INIZCTEOSA-N 431.439 5.963 30 20 IKED COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)C[C@H](CC#N)c1ccccc1 475452362 UHRGNBIKYLRUPS-PXNSSMCTSA-N 427.342 5.209 30 20 IKED C=C(C)[C@H](N[C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc(F)c(F)c1 480669477 XLTDRZVATVOHQX-HJPURHCSSA-N 446.519 5.004 30 20 IKED COCC1=CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CC1 481216213 UBZXUTKTJSHBSR-UHFFFAOYSA-N 431.414 5.180 30 20 IKED CN(C(=O)c1ccc(OC(F)F)cn1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 484213010 YUGGFTHCECKZPH-ZDUSSCGKSA-N 428.279 5.077 30 20 IKED COC(=O)c1c(F)ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1F 485160371 HEMOXAOEDXYJCF-UHFFFAOYSA-N 442.805 5.321 30 20 IKED C[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1nc(C(F)(F)F)cs1 486630788 WJQYJCSPQPAQKZ-GFCCVEGCSA-N 433.480 5.676 30 20 IKED CCNC(=O)Nc1ccc(C)c(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1 487655639 MQKSBEJYXTVIEI-UHFFFAOYSA-N 432.455 5.192 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCCCC(=O)c2ccc(F)cc2)cc1 495114972 DAWCPJVYZFHOHH-UHFFFAOYSA-N 446.497 5.809 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)CCCOc3cccc(Cl)c3Cl)CC2)cc1 504740240 FUPHDLNUENFDDZ-UHFFFAOYSA-N 433.335 5.094 30 20 IKED N#Cc1ccc(Oc2ccc(-c3nc(-c4cccnc4Oc4ccccc4)no3)cc2)nc1 504802338 HZWKSKROUKPQHU-UHFFFAOYSA-N 433.427 5.650 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1 508261227 YFSZZLASDIEVDA-UHFFFAOYSA-N 443.478 5.819 30 20 IKED C[C@H](Nc1ccc(C(=O)Nc2cccc(OCCCC#N)c2)cc1[N+](=O)[O-])c1ccccn1 509470162 LDWOWRJSVCYZNC-KRWDZBQOSA-N 445.479 5.098 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)ccc1OCc1ccncc1 510584761 POCSCZQXNNAWEM-SFHVURJKSA-N 444.535 5.353 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(C(=O)c2ccccc2)CC1 510855847 BQTBZFAPJDNDCO-UHFFFAOYSA-N 439.515 5.786 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)n1 513670691 AFGYHHNAFAESDE-HNNXBMFYSA-N 426.885 5.115 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCc3sc(Cl)cc32)cc1 515019382 NLIQQOIYCOWISR-HXUWFJFHSA-N 437.952 5.856 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1 517506802 QPZLGLXUPHKWBQ-UHFFFAOYSA-N 438.487 5.016 30 20 IKED COc1ccc(CCCN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 518183341 NHYDRYZZTKQJPO-DEOSSOPVSA-N 447.966 6.101 30 20 IKED Cc1c([C@H](C)NCc2cccc(OCc3ccccc3C#N)c2)cnn1-c1ccc(F)cc1 518782116 MJCQMWUIYYQFBV-IBGZPJMESA-N 440.522 5.621 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(OCc4cscn4)c3)cc2)cc1 520607494 NOUJGALTJBYWHB-UHFFFAOYSA-N 427.485 5.638 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CCSc2c(F)cccc21 524442705 ZGSZNNHACUSXEJ-QHCPKHFHSA-N 447.535 5.943 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)nnn1-c1ccc(-c2ccccc2)cc1 524582509 RPFDWXDUCJERJB-FQEVSTJZSA-N 447.420 5.147 30 20 IKED COc1ccc(Br)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 524767271 AVRRLILOHJHVCQ-OAHLLOKOSA-N 447.741 5.725 30 20 IKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CSC2CCCC2)c1 524931145 TYOLQBRYPXHFHH-UHFFFAOYSA-N 436.625 5.330 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl 525053921 PUAOTTQZVXZYEV-AWEZNQCLSA-N 444.988 5.764 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC=C(c2c[nH]c3cc(F)ccc23)CC1 533491422 UUECAPWKWYHKQX-QGZVFWFLSA-N 448.567 5.429 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Nc2cc(-c3ncco3)ccc2C)cc1 534040927 YESQYLACTUWVMQ-UHFFFAOYSA-N 440.459 5.967 30 20 IKED CC(C)(C)c1ccc(C(C)(C)CNC(=O)C(=O)Nc2ccccc2SCCC#N)cc1 534532271 BFQMSRSLLYEHCI-UHFFFAOYSA-N 437.609 5.022 30 20 IKED Cc1c(C#N)c(NC(=O)CCN[C@@H](C)c2cccc(OC(C)C)c2)n(Cc2ccco2)c1C 539227781 XESPIFIURVANNS-IBGZPJMESA-N 448.567 5.085 30 20 IKED N#Cc1ccc(NC(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)cc1C(F)(F)F 541970195 NMGVORWNKNDDDG-QGZVFWFLSA-N 443.347 5.201 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl 543217575 ZLJKMWGSUKDOHD-LBPRGKRZSA-N 425.337 5.010 30 20 IKED CCOc1ccc(-n2c(SCc3ccc(CC#N)cc3)nnc2-c2ccccn2)cc1 544075352 GNWFLQVQAQLTAB-UHFFFAOYSA-N 427.533 5.086 30 20 IKED CC(C)c1noc(Cc2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)cc2)n1 547291820 KKUDGDRQHFGFBR-UHFFFAOYSA-N 442.475 5.080 30 20 IKED N#CCCN(C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1ccc(F)cc1 554283758 VZPRMLGUBUHSIB-UHFFFAOYSA-N 434.858 5.485 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] 555820801 ZYXVCFSIHLVUHS-UHFFFAOYSA-N 429.476 5.270 30 20 IKED Cn1c(Cc2cccs2)nc2cc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)ccc21 558179339 IGTOQYNOGZNHAO-INIZCTEOSA-N 440.450 5.129 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] 562147019 RIPOMONBPCMTJB-UHFFFAOYSA-N 444.491 5.060 30 20 IKED C=C(C)[C@@H](NC(=O)N1CCC(c2noc3cc(F)ccc23)CC1)c1ccc(F)c(F)c1 569298088 QZSZSSMNGNIWNH-OAQYLSRUSA-N 429.442 5.452 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2c3ccccc3CC23CCOCC3)cc1 575097957 WACLGVXTPLSTPT-VWLOTQADSA-N 439.515 5.566 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC(=Cc4ccccc4F)CC3)cc2)ccn1 576991519 YGGKGLNENCTXFJ-UHFFFAOYSA-N 428.467 5.596 30 20 IKED CCN(CC)CCN(Cc1cccs1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603690047 GJIWTXMACYUIOK-UHFFFAOYSA-N 449.580 5.183 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)CCc1ncc(-c2ccccc2Cl)o1 603968962 PPSLFSFAIGYDNW-UHFFFAOYSA-N 433.920 6.166 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H](C)[C@@H]2c2ccc(C)cc2)cc1 606558666 MBKZQKGTNSLDMB-SQJMNOBHSA-N 431.580 5.814 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)CC1(CC(=O)Nc2nccs2)CCCCC1 609316906 WMXPYUBRNGAKBQ-UHFFFAOYSA-N 438.597 5.123 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 609377782 MMPIGHQZZLAGDG-INIZCTEOSA-N 433.508 5.582 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(c2ccc(F)c(F)c2)CC1 609385438 IJMXWCXHJLNKKU-MRXNPFEDSA-N 429.536 5.177 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 609438120 BZUWUILWHOTIGE-UWJYYQICSA-N 443.016 5.693 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NCc3nn(-c4ccccc4)c4c3CCC4)cc2)cc1 609501434 PTPYRUSPIUQKJU-UHFFFAOYSA-N 448.526 5.149 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC(c4c[nH]c5ccccc45)CC3)cc2)cc1 609514549 ZORVHQXCWAWUGN-UHFFFAOYSA-N 435.527 6.046 30 20 IKED COc1cc(CSc2nncn2-c2ccccc2F)ccc1OCc1cccc(C#N)c1 609722045 ZCNPQLGBPQVDJD-UHFFFAOYSA-N 446.507 5.158 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC(c1cccs1)c1cccs1 610029125 SCPMKICZXMKKRQ-AWEZNQCLSA-N 441.603 5.048 30 20 IKED N#Cc1nnc2ccccc2c1Sc1nnc(Nc2ccc(OC(F)(F)F)cc2)s1 610128201 FIJWOLLGLHTFBO-UHFFFAOYSA-N 446.439 5.146 30 20 IKED C[C@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1C(F)(F)F 610224451 LUZNGBGXPXGFQP-KRWDZBQOSA-N 438.449 6.093 30 20 IKED C[C@H](NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1)c1cccc(C#N)c1 610361895 IZRRFLNYWOJTSJ-SFHVURJKSA-N 447.498 5.102 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C[C@@H](C(F)(F)F)O1 610415754 JABFXYBVLAVESR-XVSDVWIESA-N 437.849 5.179 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCc2c(F)cc(Br)cc2C1 610730500 HLFJXWUJFZHGJZ-CYBMUJFWSA-N 448.361 5.573 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N(Cc1ccc(F)cc1)C1CC1 612805418 XCAXNANWIPKALF-STQMWFEESA-N 426.376 5.409 30 20 IKED Cc1nn(C)c2sc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc12 613346338 GYFASMQVTNSCJG-CYBMUJFWSA-N 447.372 5.864 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC[C@@H]1Cc1ccc(F)cc1 615682633 GXVSHCQMKNGPQG-YQFWSFKMSA-N 440.403 5.452 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2sc(-c3cccc(Cl)c3)nc2C)cc1 626586567 DVLXBZRCLZMXLF-UHFFFAOYSA-N 426.929 5.332 30 20 IKED Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 670068960 CBRUPZYKISGZFH-GASCZTMLSA-N 435.343 5.401 30 20 IKED N#C[C@@H](C(=O)c1cc(Br)cc(Br)c1)c1ccc2ccccc2n1 678638137 BJODWUXDWUDGLG-OAHLLOKOSA-N 430.099 5.250 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c2cc(Br)ccc2n1 679540173 IXOFGVBCVVSBSR-HNNXBMFYSA-N 440.297 5.545 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1nc2cc(F)ccc2s1 682003391 BWWLYVGWIAZFDF-ZDUSSCGKSA-N 446.381 6.084 30 20 IKED C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 682079919 FEENESWQBCGTCS-MVWJERBFSA-N 437.302 5.062 30 20 IKED O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 683088530 HPAAJKBWDGXPLZ-NHCYSSNCSA-N 440.281 5.201 30 20 IKED N#C[C@@H](C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1nc(-c2ccccc2)cs1 726322701 WJDZHKKZROGTTD-HRTMPFAESA-N 449.620 5.632 30 20 IKED C=CCn1c(-c2cccnc2)nn(CNC2(c3ccc(Cl)cc3)CCCC2)c1=S 727167263 WRYQEZDGRMJIJZ-UHFFFAOYSA-N 425.989 5.332 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cc1 727589723 ZWFIXJLJRKLKTB-XUZZJYLKSA-N 449.913 5.740 30 20 IKED C[C@@H](C#N)Oc1ccc(/C=C(\Cl)c2nc(O)c3c(-c4cccs4)csc3n2)cc1 727744163 LDUXEKPMRNTQFQ-PFSWGADMSA-N 439.949 6.153 30 20 IKED Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 731645987 VPWCISYXVBPHEC-FQEVSTJZSA-N 443.286 5.281 30 20 IKED COc1ccc(C(=O)/C=C\c2cccc(OCCCc3ccccc3)c2)cc1NC(C)=O 731937842 NEKRJHJUPQRHHV-SQFISAMPSA-N 429.516 5.561 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 732537804 AZGQBYMHEWPURH-UIOOFZCWSA-N 447.538 5.505 30 20 IKED C=CCn1c(COc2ccccc2F)nn(CN2C[C@H](c3ccccc3)C[C@H]2C)c1=S 734475984 ASIYPEPMBULYBK-UYAOXDASSA-N 438.572 5.154 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)OCc3csc(-c4ccccn4)n3)c2)c1 734591612 ZYEIKLPAHXYUMD-UHFFFAOYSA-N 427.485 5.013 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1 739155736 UNAISCAZDDWJOJ-QRWLVFNGSA-N 430.470 5.356 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2s1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 744016601 OYGPFPLYZXFHCZ-XAUMDUMWSA-N 435.549 5.375 30 20 IKED CC(C)(C)c1ncc(/C=C/C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)s1 744029115 OGPBSMVCUJOKNY-KQDNUWKFSA-N 445.544 5.594 30 20 IKED C/C(=C/C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1C(F)(F)F 744063101 XOISSNUKMJOANQ-BLSFAOBESA-N 437.446 5.980 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cc1 744766708 QQDQTIZYTLJFEE-VWLOTQADSA-N 434.543 6.235 30 20 IKED N#C[C@@H](NC(=O)c1csc(-c2ccc(O)cc2)n1)c1ccc(OCc2ccccc2)cc1 746207875 WWADMJSBPGMYGE-JOCHJYFZSA-N 441.512 5.089 30 20 IKED COc1ccc(-c2cc3[nH]c(/C(Cl)=C\c4cc(C#N)cs4)nc(=O)c3s2)cc1 748440417 KRQYXQYLKDUYSY-VIZOYTHASA-N 425.922 5.330 30 20 IKED C#CCOc1ccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)cc1 748946628 GJMLJFYUVUNPAI-JOCHJYFZSA-N 429.520 5.846 30 20 IKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccnc(Oc2ccccc2)c1 749337641 IUWMMXLEJYJSTO-GOSISDBHSA-N 426.259 5.142 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(OC(C)(C)C)cc1 750969912 GSCSNOFQQJSKKR-MRXNPFEDSA-N 426.538 5.054 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCCC[C@H]2c2ccc(F)cc2F)cc1C#N 752305496 OQHXWTWSPZZEAL-FQEVSTJZSA-N 428.439 5.164 30 20 IKED C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 756043069 YCMJSQPWKAKMFQ-ACJLOTCBSA-N 437.330 5.150 30 20 IKED C=CC[C@@H](N[C@H](C)c1cc(Br)cc(Br)c1O)c1ccncc1 756582945 LTWVONYDJGLHMO-BDJLRTHQSA-N 426.152 5.280 30 20 IKED C[C@H](ON=CC(=O)Nc1ccc(F)cc1F)c1nnc(-c2ccc(Cl)cc2Cl)o1 757616934 VTQHYWDVJAWNMC-VIFPVBQESA-N 441.221 5.024 30 20 IKED N#C[C@H](C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1nc2cc(C(F)(F)F)ccc2s1 759221866 PJAQWELKJFOTQD-CQSZACIVSA-N 444.394 5.124 30 20 IKED C[C@@H](C[C@H](O)c1ccco1)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 759499124 SUVBSOQMYSNOFO-YWZLYKJASA-N 439.899 5.017 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cc(C)ccc2OC(F)F)cs1 762602177 HBLTUCGWZVSCCU-YFHOEESVSA-N 442.487 5.942 30 20 IKED CC(C)(C)OC(=O)N1CCC(CCC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)CC1 765939599 SMDVDESAFSTSFT-INIZCTEOSA-N 431.533 5.039 30 20 IKED C=CCn1c(-c2ccccc2F)nn(CN2CC=C(c3ccc(Cl)nc3)CC2)c1=S 773251969 KOXZDVLLAXMOHF-UHFFFAOYSA-N 441.963 5.201 30 20 IKED CC(C)N(CCC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)C(=O)OC(C)(C)C 777301419 UEEMOWSOKMCPNM-AWEZNQCLSA-N 449.523 5.300 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1 778323370 HEGJCCYAKLTBPH-ICSRJNTNSA-N 449.551 5.116 30 20 IKED N#CC1(CCCOC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)CCOCC1 800130722 OOZOKUIPMXSHMQ-UHFFFAOYSA-N 447.457 5.026 30 20 IKED C=CCCc1ccccc1NC(=O)/C=C\c1ccc(OCc2c(C)noc2C)c(OC)c1 800156353 BUNRKZIHGCJLPE-SQFISAMPSA-N 432.520 5.650 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(N2CCCCC2=O)cc1 810183617 BLCZPTRVUIKSNF-QZTJIDSGSA-N 436.581 5.338 30 20 IKED C=CCN(C(=O)c1cc(-c2ccc(C)o2)nc2ccccc12)c1nc(C(=O)OCC)cs1 812930541 NMFOBJPRYFEPLR-UHFFFAOYSA-N 447.516 5.269 30 20 IKED N#Cc1cccc(NC(=O)CSC2=NC(=O)/C(=C/c3csc4ccccc34)S2)c1 814774197 ZTNWKDNJBBWKEZ-NVMNQCDNSA-N 435.555 5.115 30 20 IKED Cc1nn(-c2ccccc2)c2nc(Cl)c(C=NOc3ccccc3C(F)(F)F)cc12 814886794 CWLCOIZBNHCZSG-UHFFFAOYSA-N 430.817 5.814 30 20 IKED Cc1ccc(N=Cc2cc(Br)ccc2O)cc1NS(=O)(=O)c1ccccc1 915980066 MMMXLDIURKJNSL-UHFFFAOYSA-N 445.338 5.015 30 20 IKED CCOC(=O)c1c(NC(=S)Nc2ccccc2C#N)sc(C)c1-c1ccc(F)cc1 915995476 UNJCYYQDZIHLJY-UHFFFAOYSA-N 439.537 5.720 30 20 IKED CC(=O)Nc1cccc(C(=O)/C=C/c2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)c1 916137968 YVAPXMBQTOPEPK-ZHACJKMWSA-N 428.319 5.401 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N(Cc3ccco3)Cc3ccccc3O)s2)cc1 916672428 RFPINDJXMLWBAR-UHFFFAOYSA-N 444.516 5.138 30 20 IKED N#C[C@H](C(=O)/C=C\c1nc2ccccc2s1)C(=O)Nc1ccccc1Oc1ccccc1 916907182 WUPOJEDUXLMVMS-KGUUONHRSA-N 439.496 5.449 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1 916956043 XLKFCHXVDQRSDK-HTAPYJJXSA-N 449.551 5.186 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2ncccc2Cl)cs1 917549191 KGSSOFSUBTZDLA-UHFFFAOYSA-N 439.850 5.341 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1 919868679 XVDTVENCHHZALN-UHFFFAOYSA-N 448.526 5.363 30 20 IKED N#C[C@@H](C(=O)CSCc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1Cl 920110163 YWZHLXPQZVZAJH-ZDUSSCGKSA-N 427.740 5.228 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(N2CCOC2=O)cc1 920977452 YPDAHZQKNHNRIS-MHECFPHRSA-N 440.503 5.181 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@H]4c4ccc(Cl)cc4)cc3)CCC2)CCC1 1789154092 KMAQZGMUXZHTFO-FCHUYYIVSA-N 447.966 5.271 30 20 IKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc5ccccc5c4)CCC3)cc2)c1 1790143832 NYYKHMZFNKMZSP-UHFFFAOYSA-N 448.526 5.030 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccccc4C(F)(F)F)cc3)CCC2)CCC1 1790251143 MVYUSHKALPNLJG-UHFFFAOYSA-N 441.453 5.147 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3cccc(F)c3)CCC2)cc1 1791587244 HADPWBKKCFTUIF-UHFFFAOYSA-N 429.495 5.212 30 20 IKED CC(C)(C)CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#N)cc1Cl 1800690983 CMOOHRPLSBMORM-ACDBMABISA-N 444.019 5.460 30 20 IKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)/C(C)=C/c2cccs2)[C@@H]1c1cccnc1 1803080881 FSIYFVFMOHCADJ-RWTLANGKSA-N 449.620 5.021 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C3CC3)cc2)[C@@H]1c1cccnc1 1810175064 SCIZOLKVVQDWPF-TWJOJJKGSA-N 443.591 5.047 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2C2CC2)[C@H]1c1cccnc1 1813752238 HBVNCQOZBKPDBF-RCZVLFRGSA-N 445.607 5.271 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C(C)(C)C)oc2C)n[nH]1 1816464504 IAEQRTWTZVFSRE-DNVCBOLYSA-N 426.561 5.127 30 20 IKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)[nH]n1 1822581323 PSZJMOHLQVMCMI-NRFANRHFSA-N 426.605 5.202 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)cc2OC)CC1 1829071489 QLUNQSKGCPUIQX-HSZRJFAPSA-N 440.628 5.229 30 20 IKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CC3CCCC3)CC2)c1Cl 1829688613 CZSFLEWVXYHPSS-JOCHJYFZSA-N 442.003 5.025 30 20 IKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2)CC1 1830054998 LCDLZBYQJWNZEF-JOCHJYFZSA-N 448.529 5.132 30 20 IKED Cc1ccccc1N/C(S)=C(/C(=O)c1ccc(F)cc1F)[n+]1ccc(C(C)(C)C)cc1 11167503 BHSVQUYHTZSYHI-UHFFFAOYSA-O 439.551 5.909 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(C(C)(C)C)cc1)[n+]1cccc(CO)c1 14871952 FGBVHKBIFCIHIZ-UHFFFAOYSA-O 447.624 5.377 30 20 IKED CC(C)OCc1c(C(=O)O[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)oc2ccccc12 16949561 CJWYSIMYTFFTBH-CQSZACIVSA-N 440.883 5.067 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc(C(C)(C)C)cc2)s1 22726978 KKRWCNKTMJEOJC-UHFFFAOYSA-O 427.590 5.832 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)=C(/S)Nc1cc(C)ccc1C 22729846 UVULNEKYMADHIM-UHFFFAOYSA-O 448.568 5.421 30 20 IKED C=CCOc1c(Br)cc(CN[C@H](C)c2ccc3c(c2)OCCO3)cc1OCC 22774709 GKSQMZQIOFGHNU-OAHLLOKOSA-N 448.357 5.035 30 20 IKED CCCOc1c(Br)cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1OC 25437536 KWIQMAJQXSTIEQ-UHFFFAOYSA-N 431.330 5.300 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)cc1 29648359 KFEQHQRCYOXWRD-UHFFFAOYSA-N 444.516 5.630 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N[C@H](C)c1ccc(C#N)cc1 31759152 NSYACUIRKQJGKL-CYBMUJFWSA-N 427.335 5.088 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3ccccc3CN3CCCCC3)c2)c1 60961587 HIUKOBWQDHVDAA-UHFFFAOYSA-N 425.576 5.413 30 20 IKED Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 72085073 UFHSUPCVYDCOTH-UHFFFAOYSA-N 443.938 5.418 30 20 IKED Cn1c(-c2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)cc2)nc2ccccc21 110585182 XLPAFJYLIKTIMM-UHFFFAOYSA-N 448.482 5.536 30 20 IKED N#CCCn1cc(C(=O)CSc2nnc(NCCc3ccccc3)s2)c2ccccc21 115280127 GBNPTHUSGAKBJW-UHFFFAOYSA-N 447.589 5.036 30 20 IKED CCC(C)(C)OCc1cccc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1C 428785226 LVAHISHNHBMZPE-UHFFFAOYSA-N 448.611 5.312 30 20 IKED CCC(CC)n1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1 431132123 INXDOKSWASAIQC-OAHLLOKOSA-N 433.364 6.165 30 20 IKED C=CCN(CCC#N)C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 432771094 ZGERSMQYSSANBA-UHFFFAOYSA-N 431.418 5.283 30 20 IKED C[C@]12CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)C[C@@H]1C2(F)F 432855980 UWCOWTZXFLGLAP-FPOVZHCZSA-N 431.870 5.300 30 20 IKED CN(Cc1ccc(F)c(Cl)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 433517545 MNGGMNQZKJXCMV-UHFFFAOYSA-N 437.902 5.788 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cccc(NC(=O)NCC)c1C)c1ccc(C(F)(F)F)cc1 433754893 ZPZGKABBEVWDOS-HXUWFJFHSA-N 448.489 5.984 30 20 IKED CCOc1ccc(CCC2CCN(Cc3cn(CCC#N)nc3-c3ccncc3)CC2)cc1 435134383 XAZDSFLJRBWDBW-UHFFFAOYSA-N 443.595 5.102 30 20 IKED CN(C)C(=O)Nc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(Cl)c1 435363040 QVVYJOYEFIHBOY-UHFFFAOYSA-N 434.883 5.350 30 20 IKED C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 437886194 CFJAFUZXKIPBKB-BCHFMIIMSA-N 443.522 6.086 30 20 IKED CCCc1c(NC(=O)N2CCCC[C@H]2c2ccc(F)cc2)cnn1-c1cccc(C#N)c1 439688526 RLDBDMJTIKXHOJ-QHCPKHFHSA-N 431.515 5.595 30 20 IKED CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1ccc(Br)s1 460306048 VQWVXVHSZCIWJY-OAHLLOKOSA-N 428.359 5.002 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(CCC(F)(F)F)CC1CC1 460956081 GTIUGMVFYLMQEL-PMACEKPBSA-N 434.506 5.268 30 20 IKED C[C@@H](NC(=O)NCc1ncc(-c2ccccc2)cn1)c1ccc(-c2cccc(C#N)c2)cc1 461957188 OUNUAVKKAIYAPN-LJQANCHMSA-N 433.515 5.243 30 20 IKED COc1cc(C)c(Br)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 462572932 OGSSPKADQIPKPZ-UHFFFAOYSA-N 441.281 5.062 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1 463676657 KPRTYHPINDNKOP-UHFFFAOYSA-N 437.515 5.452 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(Cc1ccccc1)[C@@H](C)c1ccccc1 463880920 SLUPSDMDPXIEDQ-FQEVSTJZSA-N 441.531 5.074 30 20 IKED C[C@@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)Oc1ccc(F)cc1 466201091 XDWUIHNCRCARGT-SFHVURJKSA-N 433.483 5.060 30 20 IKED O=C(Nc1cnn(C(F)F)c1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 467434571 DPOSNIMWDPORMS-VBWSLOFWSA-N 445.354 5.339 30 20 IKED CC(C)(NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1nc(C(F)(F)F)cs1 467710947 OZYXUZAVLLQWEE-UHFFFAOYSA-N 446.454 5.883 30 20 IKED Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 468314292 DCQMDBKOUPIROX-FQEVSTJZSA-N 432.568 5.321 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)cc1F 469528505 FILXZASQBVFDPP-UHFFFAOYSA-N 425.419 5.301 30 20 IKED Cc1sc(NC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)c(C#N)c1C 471071597 FKGFNDCJCIJFOK-UHFFFAOYSA-N 435.336 5.555 30 20 IKED C=CCN(C(=O)c1ccc(OCc2cccnc2)c(OCC)c1)c1nc2c(s1)CCCC2 471138782 DCBIJBYNWGVFEB-UHFFFAOYSA-N 449.576 5.227 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 471892695 LFHXHHVZJVNJTC-HXUWFJFHSA-N 428.536 5.183 30 20 IKED N#Cc1ccc(C2(C(=O)Nc3ccc(Oc4ccc(C(F)(F)F)cn4)c(F)c3)CC2)cc1 473586996 KEIJJICJIPMIFP-UHFFFAOYSA-N 441.384 5.574 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCCC(=O)Nc1cc(C)c(Cl)cc1OC 475574029 VEMASUXADKRTHI-UHFFFAOYSA-N 443.975 5.659 30 20 IKED N#CC[C@H](CC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 476168317 WRTBGGYOGATJQX-GOSISDBHSA-N 444.362 5.258 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)csc1Br 478535958 FPJXMSKXZZVALE-CYBMUJFWSA-N 428.336 5.304 30 20 IKED Cc1cnc(CNC(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1 481449471 WRYVHWFDPZFHCO-GFCCVEGCSA-N 449.273 5.123 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1CCC[C@@H]1c1cccnc1 481525340 CJJSHLIRWPOKAB-OAQYLSRUSA-N 446.576 5.397 30 20 IKED CCc1c(NC(=O)CSc2ccc(C#N)cc2)cnn1-c1ccc(C(F)(F)F)cc1 481860181 GVERYHGCKXKZEE-UHFFFAOYSA-N 430.455 5.056 30 20 IKED N#C[C@H](C(=O)c1coc(-c2ccc(Br)cc2F)n1)c1nccc2ccccc12 483231234 ISJHTMOPLBBUCB-INIZCTEOSA-N 436.240 5.281 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H](c2ccccc2)C(F)(F)F)cc1C 486677136 BRXFQTPEFJTBPI-OAQYLSRUSA-N 440.469 5.157 30 20 IKED Cc1ccc(C(=O)N[C@H](CC(=O)N[C@@H](CCCC#N)c2ccccc2)c2ccccc2)cc1 487214956 AFXGGGDPXNMTTK-IZZNHLLZSA-N 439.559 5.408 30 20 IKED C[C@@H](c1cccc(C#N)c1)N1CCC(c2nc(-c3ccccc3Br)no2)CC1 488157801 CXOLSPJISNQDDX-HNNXBMFYSA-N 437.341 5.311 30 20 IKED N#C[C@@H](C(=O)c1ccc(Br)cc1C(F)(F)F)c1nc2ccccc2s1 499290184 RXCCKLCGGBWPLM-NSHDSACASA-N 425.229 5.568 30 20 IKED COc1cc(Br)ccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 501279853 ALRKIPKWPIRFSN-HNNXBMFYSA-N 447.741 5.725 30 20 IKED O=C(Cc1coc(-c2ccc(F)cc2)n1)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 505395644 LARJZTVDRXEWBK-KRWDZBQOSA-N 446.322 5.462 30 20 IKED C[C@H]1CN(Cc2ccc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)cc2)C[C@H](C)O1 507896941 YBDWJKCRFPSCPD-PMACEKPBSA-N 441.531 5.212 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)NCc3csc4ccccc34)s2)cc1 510241148 WYLXCKWRZYFFCN-UHFFFAOYSA-N 437.575 5.238 30 20 IKED N#Cc1ccc(CN(C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)C2CC2)cc1 510771350 VISJSKQMVNZFSQ-UHFFFAOYSA-N 441.478 5.434 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 511391149 NPDKMFVIVGOTQL-UHFFFAOYSA-N 436.515 5.403 30 20 IKED CCC1(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)CCN(C(=O)c2ccccc2)CC1 511596118 GOOGWXHPXAWRPX-IBGZPJMESA-N 444.362 5.007 30 20 IKED Cc1nc([C@@H](NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2F)no1 513270042 YSKOLUUSYZUPMW-HNNXBMFYSA-N 447.310 5.074 30 20 IKED CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1 513419648 XQMICCVSEHCWDL-UHFFFAOYSA-N 432.545 5.191 30 20 IKED Cc1ccccc1C1CC(N(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C2CC2)C1 513467793 YEXCGGYIMHMMPW-UHFFFAOYSA-N 431.555 5.159 30 20 IKED N#Cc1c(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)sc2c1-c1ccccc1CC2 513688785 MPNJBHBAAIIFOO-UHFFFAOYSA-N 441.415 5.147 30 20 IKED CC(C)c1nn(-c2ccc(Br)cc2)cc1CN(CCC#N)Cc1ccccn1 513741777 PVTDZAYGLKKUTA-UHFFFAOYSA-N 438.373 5.069 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)cc(OC)c1OC 515827833 DHAPNYGTDKYWQR-UHFFFAOYSA-N 440.883 5.183 30 20 IKED Cc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 516737344 SFGMHWDIGXINBK-LJQANCHMSA-N 427.504 5.126 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)cc1 517733614 BEJMOCJSZRMLOK-OZXSUGGESA-N 442.584 5.748 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cncc(Br)c1 518147554 FKPGOCOLTDYCKU-UHFFFAOYSA-N 430.249 5.121 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)c(C)c1 518255986 LZNVPLOPDMHWRI-LJQANCHMSA-N 435.593 5.825 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)s2)c(C)c1 520164701 DHAFWROIUCQCDC-MRXNPFEDSA-N 436.487 5.970 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H]3CCCO[C@@H]3c3ccccc3)cc2)c1 520195685 HRBKJQCOLMJMTB-PXDATVDWSA-N 427.504 5.640 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H]2CCCOc3ccc(F)cc32)cc1OC 520944636 DBVLXHJNCXNJFO-GOSISDBHSA-N 436.321 5.165 30 20 IKED CC1CCN(c2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2[N+](=O)[O-])CC1 521327118 SBIRTDNVCXYQMK-KRWDZBQOSA-N 438.553 5.478 30 20 IKED CC(C)OCc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)oc2ccccc12 521328681 DSBWVIPMUPAZDC-UHFFFAOYSA-N 426.472 6.274 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCc1ncc(-c2ccccc2Cl)o1 521727465 XFZUZJHGWGERPA-HNNXBMFYSA-N 425.941 5.818 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-n2cc(Br)cn2)cc1 521796463 DWRXKRFNJYEMBJ-CQSZACIVSA-N 441.354 5.281 30 20 IKED COc1ccc(-c2nc3c(s2)[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)CCC3)cc1 522408608 HWWQGWHNPCFZBN-HNNXBMFYSA-N 430.455 5.594 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C(C)C)nc4onc(C)c34)n2)cc1 523959129 MJLJTYLCYNQGHY-KRWDZBQOSA-N 432.505 5.277 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(OCC2CCCCC2)CC1 532969083 CXUZRBOZOWBLAV-LJQANCHMSA-N 429.630 5.081 30 20 IKED Cc1cc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)ccc1NC(=O)c1cccs1 533956853 OIQCILSLTFMJOI-UNMCSNQZSA-N 429.545 5.221 30 20 IKED CC(C)c1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cnn1-c1ccccn1 535403900 JMIBJOJFQLCEPO-KRWDZBQOSA-N 447.951 5.658 30 20 IKED N#C[C@@H](NC(=O)c1cnc2ccccc2c1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 535783047 RDDXDUYOMKFGSJ-MRXNPFEDSA-N 439.315 5.147 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](CO)c3ccc(C(F)(F)F)cc3)cc2)cc1 536286345 MWHUDMQHTHWVRH-OAQYLSRUSA-N 441.409 5.224 30 20 IKED C[C@@H](N[C@H](C)c1ccc(-n2cncn2)cc1Cl)c1ccc(-c2cccc(C#N)c2)cc1 541135178 JHEFQYICBDPSFE-QZTJIDSGSA-N 427.939 5.871 30 20 IKED CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 542966757 QVAITXPMSYJQCT-UHFFFAOYSA-N 441.900 5.060 30 20 IKED Cc1ccc(Oc2ncccc2-c2noc(C3(C#N)CCCCC3)n2)c(Br)c1 545130779 KPRKWMPGJBAGCV-UHFFFAOYSA-N 439.313 5.720 30 20 IKED N#Cc1ccc(OCc2ccc(-c3nc(Cc4coc(-c5ccc(F)cc5)n4)no3)o2)cc1 546301366 WGECNAQJSZLDAI-UHFFFAOYSA-N 442.406 5.165 30 20 IKED N#CC1(c2ccccn2)CCN(Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC1 554565107 YNJREHVAKZVNOV-UHFFFAOYSA-N 433.968 5.169 30 20 IKED C=C(C)Cn1c(-c2sccc2C)nnc1N1CCC(OCc2ccccc2OC)CC1 555274744 HARCOFGIBWHABO-UHFFFAOYSA-N 438.597 5.085 30 20 IKED CCCC[C@@H](CC)COCc1cccc(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)c1 558619655 CVOWFNXPQIHGFE-JOCHJYFZSA-N 448.611 5.904 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1 560763802 BLBUQWLHSYOYNX-UHFFFAOYSA-N 444.506 5.447 30 20 IKED COc1cc(C#N)ccc1NC(=O)N1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 562482343 VTOZEMOEJYFHPX-KRWDZBQOSA-N 448.548 5.110 30 20 IKED COCC[C@@](C)(C#N)NC(=O)c1oc2ccccc2c1CSc1ccccc1Cl 567960350 FKNFYXYCHFBGKM-QFIPXVFZSA-N 428.941 5.427 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CCc1c(C)nc2c3cccnc3nn2c1C 575755261 GYFNITRVGYMBGN-UHFFFAOYSA-N 427.552 5.318 30 20 IKED C=CCn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CC[C@@H](c2ccccc2)C[C@H]1C 576743755 URFZQGJFOZVERP-ZBCONREDSA-N 428.580 5.482 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)Nc3nc(-c4sccc4Br)cs3)CC2)c1 578813497 UAURSWONOWLRDR-UHFFFAOYSA-N 448.342 5.315 30 20 IKED Cc1ccc(Oc2ncccc2-c2noc(CCCCCC#N)n2)c(Br)c1 589139345 SYQPATNVXASFEF-UHFFFAOYSA-N 427.302 5.621 30 20 IKED Cc1c(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)sc2ccc(C#N)cc12 589981165 UMKKQXJAGSDDCC-UHFFFAOYSA-N 430.558 5.353 30 20 IKED N#Cc1cc(C(=O)N2CCCN(Cc3ccccc3)c3ccccc32)cnc1C(F)(F)F 590266247 KUHVWUUXGXECKF-UHFFFAOYSA-N 436.437 5.029 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCc4[nH]c5ccc(Cl)cc5c4C3)cn2)c1 603829392 WMKSXWYIVAUZID-UHFFFAOYSA-N 443.894 5.470 30 20 IKED CCN(Cc1cccc(Br)c1)C(=O)c1ccc(COc2ccccc2C#N)o1 603871979 DUGLQOHZNDFQMS-UHFFFAOYSA-N 439.309 5.155 30 20 IKED CCOc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1OCC 608785202 MPFHJFOASACXML-UHFFFAOYSA-N 447.510 5.729 30 20 IKED C[C@@H]1CCc2c(sc3nc(SC[C@@H](C#N)CCC#N)n(-c4ccccc4)c(=O)c23)C1 608845771 DZWRKFRRWWBFQO-HZPDHXFCSA-N 434.590 5.108 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCO[C@@H](c4cccc(F)c4)C3)c2)cc1 608994234 IXQFZGPCQRMFFB-RUZDIDTESA-N 445.494 5.076 30 20 IKED CCc1c(C)sc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c1C#N 609032747 ANUIIOJWWWQWJT-SFHVURJKSA-N 431.561 5.135 30 20 IKED CO[C@@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1 609079819 JLGTWQYQBSAVLC-QHCPKHFHSA-N 435.911 5.300 30 20 IKED N#Cc1cnn(-c2ccc(C(=O)Nc3ccc(Sc4ccccc4)c(Cl)c3)cc2)c1N 609110146 TUNNRSGVYPEMBD-UHFFFAOYSA-N 445.935 5.383 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NC[C@H]3CCN(c4ccc(Cl)cc4)C3)c2)cc1 609129311 YKURDSBWKWWCFT-LJQANCHMSA-N 431.923 5.260 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2cc3ccccc3nc2O)cc1Cl 609164206 IVEUMJCQPSOATM-NRFANRHFSA-N 427.891 5.430 30 20 IKED N#Cc1cccc(OC2CCN(Cc3coc(-c4ccc(Br)cc4)n3)CC2)c1 609203972 GESRRTZWSKJVAC-UHFFFAOYSA-N 438.325 5.019 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1nc(-c2ccccc2)cs1 609339401 NOXVBSPUQSXHDJ-MRXNPFEDSA-N 441.516 5.752 30 20 IKED COC(=O)C[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1cccs1 609722824 KMHXLROKXRKTMV-SFHVURJKSA-N 440.908 5.100 30 20 IKED Cc1ccc(OC2CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)cc1 609736935 RFPFWIPCQFQPJP-UHFFFAOYSA-N 442.584 5.843 30 20 IKED COc1ccccc1[C@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 610015518 KYWNWBYVQMJKFW-WMZHIEFXSA-N 445.950 6.025 30 20 IKED C[C@H](NC(=O)[C@H](Oc1ccccc1Br)c1ccccc1)c1cccc(C#N)c1 610362692 UBBRAGXRCKJOKP-KSFYIVLOSA-N 435.321 5.318 30 20 IKED N#Cc1ccc(C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)cn1 611974579 YPCPBAUHQOJLOR-CYBMUJFWSA-N 441.253 5.024 30 20 IKED COc1cccc([C@H]2C[C@@H](C)CN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1 612298660 FCTMXGSZHBWFBP-UZUQRXQVSA-N 428.492 5.369 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(SC)cc2)nnc1-c1ccccc1F 613390297 VSFNLSXHXQDKOH-CQSZACIVSA-N 428.558 5.111 30 20 IKED CN(C(=O)CSc1ccccc1C(=O)[C@@H](C#N)c1nc2ccccc2o1)C1CCCCC1 614439855 PEKQBJJMPJMAAI-LJQANCHMSA-N 447.560 5.201 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc([N+](=O)[O-])c1C 616711552 YKFZPYBUARKRSU-LBPRGKRZSA-N 435.383 5.030 30 20 IKED COc1ccc(Cc2nc(C)c([C@@H](C)N[C@@H]3CCc4cc(C#N)ccc43)s2)cc1OC 618802570 FITXRFWFYCJINY-QVKFZJNVSA-N 433.577 5.269 30 20 IKED COc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cccs2)cc1NC(C)=O 726429811 VZRLRKXPYVZMTI-BENRWUELSA-N 443.528 5.464 30 20 IKED COC1CCN(c2ccc(N=Cc3c(O)ccc4ccccc34)cc2C(F)(F)F)CC1 727973087 QBJCAXQIIPKRSG-UHFFFAOYSA-N 428.454 5.930 30 20 IKED N#Cc1cccc(COc2ccc(N[C@H](C(=O)NC3CC3)c3ccc(F)cc3)cc2Cl)c1 728062039 HBVAKJHCVWDWHQ-DEOSSOPVSA-N 449.913 5.362 30 20 IKED COc1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1Cl 728175185 LCZIFHWOLHAEJC-UHFFFAOYSA-N 441.915 5.747 30 20 IKED CSc1cccc(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 728298545 WQHWTALTDPWHGF-INIZCTEOSA-N 435.524 5.437 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 728667776 AVBCURZMEHYPQQ-UHFFFAOYSA-N 428.488 5.578 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1sc2cc(Br)ccc2c1Cl 729888094 CDCLBXXYAWOOOS-CYBMUJFWSA-N 433.714 5.278 30 20 IKED Cc1ccc(S[C@@H](C(=O)[C@@H](C#N)c2nc3ccccc3n2C)c2ccccc2)c(C)c1 730071242 OHJCUAKCWCNLIX-CJFMBICVSA-N 425.557 5.900 30 20 IKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2C2CCC2)cc1 731308262 MRPUGTWFLWLKHE-NRFANRHFSA-N 437.565 5.028 30 20 IKED N#CCOc1ccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cc1 731981269 DVQDKDOJHMISGM-UHFFFAOYSA-N 440.330 5.062 30 20 IKED Cc1ccc[n+](/C(C(O)=C2C=CC(=NC(N)=O)C=C2)=C(/S)Nc2ccc(C(C)C)cc2)c1 732177366 IAXHLZUIHYVXBP-UHFFFAOYSA-O 447.584 5.032 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2cccc(COCc3ccco3)c2)cc1 733620989 GJDPPUHSPDDYRB-AREMUKBSSA-N 437.499 6.296 30 20 IKED C=CCCCCCN(C)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 739799411 ARYOOAINRACZBH-UHFFFAOYSA-N 429.904 5.319 30 20 IKED C[C@](O)(CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccs1 740437578 RWSFCFLRFVQAFH-GCJKJVERSA-N 425.941 5.086 30 20 IKED FC(F)(F)c1ccc(-c2ccc(C=Nn3c(S)nnc3[C@@H]3CCCCO3)s2)cc1 743451209 AWBGWOADQPBIPQ-HNNXBMFYSA-N 438.500 5.438 30 20 IKED CC(C)=CCOc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 744028118 GESFUBVMXGVMES-HSZRJFAPSA-N 440.499 5.785 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc1Cl 744033910 YPZZIHAJXJVFCF-HRCADAONSA-N 437.710 5.106 30 20 IKED C[C@H](Oc1cccc(Br)c1)C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 744037173 OURBFTSIZRXMAC-SUMWQHHRSA-N 427.323 5.216 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(Cc2ccc(C#N)cc2)C(C)C)c1=S 746032755 JMJCHFKSCUBOOB-UHFFFAOYSA-N 433.581 5.015 30 20 IKED Cc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1N1CCOC1=O 746349317 MGYBOHADTIOPDQ-UHFFFAOYSA-N 447.878 5.521 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 747107766 BJRSMABNCDQZCA-BXKDBHETSA-N 430.118 5.751 30 20 IKED COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCCCC#N)c2)cc1Br 747361204 HCOYKABTNVIZOF-VMPITWQZSA-N 430.298 5.045 30 20 IKED CCOc1ccccc1Oc1ccccc1C(=O)NC1CCN(c2ccccc2C#N)CC1 749529471 BRYVPRCFWRJCKD-UHFFFAOYSA-N 441.531 5.148 30 20 IKED COCCCOc1cccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 752186342 RTOVZSSQOFCXDU-VWLOTQADSA-N 429.520 5.079 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](CO)c2ccc(C(F)(F)F)cc2)cc1 759910900 KALZEPCPYPCXQF-YADHBBJMSA-N 439.437 5.216 30 20 IKED C=CCn1c(-c2ccccc2C)nn(CN(C)Cc2ccc(SC)c(OC)c2)c1=S 764945499 OEEXZTHCXDRUNS-UHFFFAOYSA-N 440.638 5.396 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/C(=O)c3ccccc3[C@@H]2C(C)C)cs1 766506617 PNVNYFFRRXTDRV-ATEMXAKRSA-N 436.964 6.501 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 767883597 NEHOISGZHKPEBH-SCLBCKFNSA-N 432.293 5.248 30 20 IKED CCCCOc1ccc(C(=O)[C@H](C#N)C(=O)Nc2c(CC)cccc2CC)c(Cl)c1 770841108 VYUYJCTWYVYOJY-FQEVSTJZSA-N 426.944 5.605 30 20 IKED C[C@@H](N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccc(OCC#N)cc1 776153915 JGWPMJGOQKCYCB-RTBURBONSA-N 431.511 5.321 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](CC)c2cc(F)cc(Br)c2)c1 776877014 DYCHVQASMLVAEO-ICSRJNTNSA-N 448.336 5.220 30 20 IKED COc1ccc2ccccc2c1-c1cc(COC(=O)C(C)(C)Oc2ccc(C#N)cc2)on1 778133177 KOYHAHRZNALAAZ-UHFFFAOYSA-N 442.471 5.276 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)NCc2ccc(-c3ccccc3)c(C)c2)ccc1OC 779572211 SLRIMCNLCHXBAK-HSZRJFAPSA-N 443.547 5.351 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)c3ccc(C4SCCCS4)cc3)n2)c(Cl)c1 782519428 GZJFWQAGIWVZGY-UHFFFAOYSA-N 440.981 5.518 30 20 IKED CC(C)(C)OC(=O)NCc1cccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1 786933334 BXSFGUPCVGBWHD-INIZCTEOSA-N 441.940 5.464 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 789450300 NIZJEDZSCROUMZ-XMMPIXPASA-N 426.988 6.169 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(C(C)(C)C#N)cc2)n(C2CCCCC2)c1C 796037684 ZWRRBOZJKMAYAB-UHFFFAOYSA-N 446.551 5.079 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC([C@H](F)c3ccccc3F)CC2)cc1 806200503 FUSJJVOCJBVWRP-AHWVRZQESA-N 445.513 6.436 30 20 IKED COc1ccc2cc(NC(=O)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)ccc2c1 807306411 GGODFUNYUNKGKE-RUZDIDTESA-N 435.483 5.081 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3C[C@@H](c4ccccc4)OC3=O)cc2Cl)cc1 809619696 FORJIISKTPTAAR-KNQAVFIVSA-N 432.863 5.247 30 20 IKED CC(C)(C(=O)[C@H](C#N)c1nccc2ccccc12)c1csc(-c2cc(F)ccc2F)n1 810717534 XKTNPVXIWBITSU-GOSISDBHSA-N 433.483 5.791 30 20 IKED C=CCOc1ccc(CN2CC3(CCOCC3)[C@@H]2c2cnn(CC(C)C)c2)cc1Cl 849479254 OTTIRQYTUQCKCI-QHCPKHFHSA-N 429.992 5.111 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@H](C)c2cc(C)sc2C)cc1 914694526 NEVOLRASTAYYJV-FOIQADDNSA-N 441.622 5.035 30 20 IKED Cn1ccnc1SCc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)o1 915086424 UZNDWDUIXGLNTA-OAQYLSRUSA-N 428.517 5.213 30 20 IKED N#C[C@H](C(=O)CCNc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(Cl)cc2)cs1 915101262 FXVLTJJBWIQUSQ-OAHLLOKOSA-N 426.885 5.050 30 20 IKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccco2)c1C 916207977 QJLIHWPVIPNTQS-OAQYLSRUSA-N 433.533 5.057 30 20 IKED CCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(C)cc1 916213061 XOKDBMQWIFCBIL-IBGZPJMESA-N 445.972 5.027 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)nnc1-c1ccco1 916664890 UOHPGVMDCQJQPT-UHFFFAOYSA-N 444.520 5.870 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cc2c(Cl)cccc2s1 916902508 HBRJETQNABCQQB-GFCCVEGCSA-N 433.316 5.486 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916977028 HGPDZHAUWJYRNL-NRFANRHFSA-N 446.963 5.685 30 20 IKED Sc1nnc(SCc2ccccc2)n1N=Cc1ccc(-n2cnc3ccccc32)cc1 917578292 SJPRRJYWQSVTJK-UHFFFAOYSA-N 442.573 5.080 30 20 IKED CSc1nc(O)c(C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)cc1C#N 1265018769 CRNWXTPPFNYSLV-UHFFFAOYSA-N 436.493 5.049 30 20 IKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)CCC4CCC4)cc3)CCC2)cc1 1786259732 XJJATLDKBZOVNW-UHFFFAOYSA-N 429.564 5.205 30 20 IKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)c3ccncc3)cc2)CCC1)c1ccccc1 1787309396 ZWWJARYPVLKQLU-VWLOTQADSA-N 437.543 5.027 30 20 IKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CC=C(C)CC4)cc3)CCC2)c1 1789115108 NKJJXGIEQRLEKJ-FQEVSTJZSA-N 443.547 5.061 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(NC(C)=O)c3)CCC2)cc1 1789455137 LOCYWMXQMVRIBP-DEOSSOPVSA-N 445.563 5.161 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4occ(Cl)c4c3)cc2)CCC1 1790092125 QFYWFJWVMGEQKK-UHFFFAOYSA-N 434.923 5.637 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)CCC1 1790251193 QWHIPFKWHRIBJD-UHFFFAOYSA-N 428.454 5.257 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)CCC2)cc1 1791588159 HCXQHOUQBYBJNA-UHFFFAOYSA-N 434.927 5.054 30 20 IKED C[C@H](C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C#N)cc3)CCC2)cc1)c1cccs1 1791815777 WJNPPIHRTGQDDK-SFHVURJKSA-N 443.572 5.100 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)/C=C/c3ccc(F)cc3F)C2)CC1 1806468322 ITYJBXSPVBLANO-VQHVLOKHSA-N 444.566 5.202 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)[C@H]1c1cccnc1 1810504430 ZOQLDCAZVULBGR-WMIMKTLMSA-N 439.644 5.296 30 20 IKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](c2ccccc2)[C@H](C)CC)n[nH]1 1816848329 GKQRKJDMWLROKZ-OPJGWUQDSA-N 434.584 5.035 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3sccn3c2)n[nH]1 1817820600 VVCWRQDVQCZJLU-GOSISDBHSA-N 439.585 5.022 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](F)c2ccccc2)CC1 1824858518 RNBSLVDLWAJHDS-PKTZIBPZSA-N 428.592 5.309 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ncccc23)CC1 1828027998 WZNSESVGAJSVAE-RUZDIDTESA-N 447.623 5.461 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(F)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 10829443 LZVBWGMXTGIIDB-UHFFFAOYSA-O 435.588 6.078 30 20 IKED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1ncnc2scc(-c3ccc(F)cc3)c12 22128988 QRQGHOVSPURMNE-LRTDBIEQSA-N 428.558 5.032 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 62230724 UVBUCGBXUINXOZ-QFIPXVFZSA-N 441.600 5.351 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c(C)n1[C@H](C)c1ccccc1 195662624 QSABCDHLUBBTLC-VGOFRKELSA-N 426.545 5.723 30 20 IKED C=C(Cl)CSC1=N/C(=C\c2cccs2)C(=O)N1c1ccc(OC)c(Cl)c1 206769910 MMMTVMNRKZLXTQ-DHDCSXOGSA-N 425.362 5.640 30 20 IKED C=CCn1c(SCc2csc(COc3ccc(F)cc3)n2)nnc1-c1ccccc1 247995142 MCAPBMGDSAKPII-UHFFFAOYSA-N 438.553 5.598 30 20 IKED Cc1nc(-c2cccc(NC(=O)c3ccccc3Sc3ccccc3C#N)c2)cs1 301686016 OLJIITPIQZNDRV-UHFFFAOYSA-N 427.554 6.394 30 20 IKED Cn1cc(-c2ncc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)s2)cn1 303483934 UJHBLZFSVXUCDO-SFHVURJKSA-N 433.924 5.105 30 20 IKED C=CC[C@@H](C(=O)N[C@H]1CC[C@H](NC(=O)[C@H](CC=C)c2ccccc2)CC1)c1ccccc1 427645009 LRWVWNJHWMHDMB-VEYUFSJPSA-N 430.592 5.250 30 20 IKED C[C@H](CCCC(F)(F)F)NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 427963493 XPBFEVQUYWAKAM-OAHLLOKOSA-N 449.498 5.140 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 429853769 UGSXYAWPIFPXRT-UHFFFAOYSA-N 428.267 5.210 30 20 IKED Cc1nc(CSc2ccc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cc2)cs1 436348525 YHUYYHKEXJPHFH-PKTZIBPZSA-N 433.602 5.656 30 20 IKED N#Cc1cccnc1OC1CCC(N[C@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 437099193 QEXAVIDMPFBSSA-KXTRFFEISA-N 432.955 5.265 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@H](c2ccccc2)N2CCCCC2=O)cc1F 437492347 BTRQSMFFMMWXJY-VWLOTQADSA-N 443.478 5.182 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2sc(CC)nc2C)cc1 437839290 MILHFKXWBIHTCB-KRWDZBQOSA-N 426.586 5.053 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 438069988 DKUCERLVYPQMSN-DLBZAZTESA-N 428.989 5.525 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@@H](C)C[C@H]2c2ccccc2F)cc1 438172591 AFJGPNPHGBPFTD-SBUREZEXSA-N 445.494 6.113 30 20 IKED N#Cc1cc(NC(=O)NC[C@H]2CCC[C@H](O)C2)ccc1Oc1ccc(C(F)(F)F)cc1 438548735 XIXOPXPWPAYIDT-KSSFIOAISA-N 433.430 5.042 30 20 IKED CCC[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nnc2ccccn12 438666578 INCHHVJBSAUFFM-LJQANCHMSA-N 444.470 5.195 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)Nc1ccc(C2CC2)c(C)c1 439531979 WMPPKBCCGIXJEY-UHFFFAOYSA-N 439.515 5.209 30 20 IKED CCCc1c(NC(=O)c2cnc(Cc3ccc(F)cc3)s2)cnn1-c1cccc(C#N)c1 440083238 SRUNSGVILKDOMR-UHFFFAOYSA-N 445.523 5.135 30 20 IKED C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 460580588 YLZSWOQKWWKUQM-MYGHRHJXSA-N 434.565 5.202 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1ccc(Br)cc1F 462170240 VRISTEGMFFYKKO-HNNXBMFYSA-N 437.357 5.215 30 20 IKED COCc1ccc([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)o1 467375010 AAWGDUIIZDDLQQ-JOCHJYFZSA-N 449.482 5.385 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)NC(c3ccccc3)c3ccccc3)ccc21 470547861 UPASPXNMBSHPSD-UHFFFAOYSA-N 438.531 5.181 30 20 IKED Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 470779303 MOCAXTMKAMDMKM-LJQANCHMSA-N 433.552 5.107 30 20 IKED C=CCn1c(SCc2cc(Br)cc3cccnc23)nnc1-c1ccncc1 470821357 NDVYIRMURXDDIR-UHFFFAOYSA-N 438.354 5.129 30 20 IKED C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 472713824 KFMYEIMHRZPSDO-OXJNMPFZSA-N 449.605 5.187 30 20 IKED Cc1ccc(C#N)cc1NC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 473331203 CAFYKDOSMIBCHH-UHFFFAOYSA-N 431.323 5.056 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1noc(-c2ccccc2)n1 473790026 DYFQKYUNPHRBSL-INIZCTEOSA-N 425.448 5.283 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 473797692 UUUDMHOXLPHPHM-GOSISDBHSA-N 438.491 5.122 30 20 IKED Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 477734840 WPYVJFJWZSIGSP-OAQYLSRUSA-N 446.595 5.571 30 20 IKED C=C(C)Cn1c(SCC(=O)N(C)[C@H](C)c2cccc(Cl)c2)nnc1-c1ccco1 480105192 BWXMIWYSQIYJRY-OAHLLOKOSA-N 430.961 5.079 30 20 IKED C=CCn1c(SCC(=O)N(Cc2ccco2)c2ccccc2)nnc1-c1cccs1 481399194 HXTZUMIRKCBTLL-UHFFFAOYSA-N 436.562 5.111 30 20 IKED CCCCCN(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 483487742 KZQFTUDVTFTTSQ-QGZVFWFLSA-N 447.988 5.250 30 20 IKED Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 485626590 CJZQNOPQNYTTJV-HSZRJFAPSA-N 446.551 5.187 30 20 IKED COc1ccccc1[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccco1 494208679 MQQDGPPUYKIORC-FQEVSTJZSA-N 445.397 5.012 30 20 IKED C=CCc1cc(C(=O)N(CC)[C@H](c2ccc(C)cc2)c2cccnc2)cc(OC)c1OC 496535534 NGORFABVRGGMKH-RUZDIDTESA-N 430.548 5.387 30 20 IKED CCN(C(=O)CSc1nc(C)c(C)c(C)c1C#N)[C@H](c1ccc(C)cc1)c1cccnc1 496556818 UPZBTTWHDSTPKZ-RUZDIDTESA-N 444.604 5.312 30 20 IKED CCN(C(=O)CCCCOc1cccc(C#N)c1)[C@@H](c1ccc(Cl)cc1)c1ccccn1 497884390 QMXOYRCOMDZFTO-SANMLTNESA-N 447.966 5.794 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cnc(-c4ccco4)s3)cc2Cl)c1 504919206 JXZOLGIICWEMDZ-UHFFFAOYSA-N 435.892 5.759 30 20 IKED Cc1nc(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)n(C2CCCCC2)c1C 505351243 INMBYZVDAWPHDH-GOSISDBHSA-N 428.577 5.572 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2F)C(C)C)nc2cc(Cl)ccc2c1=O 505388197 PPHNKPNASZNHBZ-LJQANCHMSA-N 445.947 5.130 30 20 IKED N#C[C@H](NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccc(Cl)cc1 505815558 NVJGLYOPQLHRHX-NRFANRHFSA-N 443.890 5.262 30 20 IKED COC(=O)[C@@H](Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1)c1cccc(C#N)c1 507822014 BBACZWYOGIURLC-QFIPXVFZSA-N 444.878 5.273 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2csc(-c3ccc(OCC)cc3)n2)cc1 508143831 OXRLDEAZUIQQFL-UHFFFAOYSA-N 447.560 5.275 30 20 IKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 509229356 YVVPVWQUHKZIMT-INIZCTEOSA-N 428.517 6.185 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 511450351 HYVCFQYBHSUFJE-BWKNWUBXSA-N 444.579 5.298 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 511628885 OGCCDHSAEMDRIV-UHFFFAOYSA-N 426.520 5.279 30 20 IKED Cc1ccc(Cn2cc(C(=O)[C@@H](C#N)c3nc(C)cs3)c(-c3ccc(C)cc3)n2)cc1 513656038 WTFNMCDPVHFHRB-OAQYLSRUSA-N 426.545 5.470 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(OC(F)F)cc2)cc1 513959717 RYYVQCWAPZPZCA-UHFFFAOYSA-N 425.410 5.533 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 515791514 GAPWYYMIDXIYLE-IBGZPJMESA-N 449.526 5.267 30 20 IKED CCN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@@H](C)c1cc2ccccc2o1 516659792 JGYDOVIJPVIQPH-INIZCTEOSA-N 430.533 5.967 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cnc3ccccc3c2)c1 516841469 OBLJRDPSLASGGQ-UHFFFAOYSA-N 438.512 5.090 30 20 IKED COc1ccc([C@H](NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c2ccc(C)cc2)cc1 517778195 VSTBEYMAHKJOQJ-AREMUKBSSA-N 427.548 5.585 30 20 IKED C[C@@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1S(=O)(=O)CCCCC#N 518302860 OUUVPAGSELEODF-APWZRJJASA-N 441.984 5.353 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)cc1 518373022 ILPRMESWGDXMMB-ZWKOTPCHSA-N 426.360 5.272 30 20 IKED N#Cc1ccc(CN2CCCN(C(=O)Nc3cccc(Oc4ccccc4)c3)CC2)cc1 520599394 QLBKIQUKUVUAPM-UHFFFAOYSA-N 426.520 5.090 30 20 IKED N#CCCSc1ccccc1NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 520806644 IPUSWMHYRATESN-UHFFFAOYSA-N 448.388 5.747 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(NC(=O)CC4CCCC4)CC3)c2)cc1 520939151 LNNFKFFUACGYJY-UHFFFAOYSA-N 446.551 5.043 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 524279744 RHIHWRVOUANPPY-AWEZNQCLSA-N 442.302 5.767 30 20 IKED N#Cc1ccc(SCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c(Cl)c1 533177455 OHFCWVWCOLOJBO-UHFFFAOYSA-N 427.938 5.256 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@H]1c1nc2ccccc2n1C 533525302 YZOOVUFVDSYKCJ-AVRDEDQJSA-N 447.608 5.133 30 20 IKED Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)Nc1ccccc1S[C@@H](C)CC#N 533767718 NBPDXXDQHCWETB-HKUYNNGSSA-N 433.581 5.436 30 20 IKED C=CCCOCCCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 537319126 SBURTDCIQQFYTK-IBGZPJMESA-N 427.372 5.076 30 20 IKED CC(C)(C)c1cc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c(C#N)s1 539172744 JYTXNXCOLZKTRL-UHFFFAOYSA-N 445.997 5.787 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 540058817 OBPKZSKBDISUIR-UHFFFAOYSA-N 426.516 5.308 30 20 IKED N#CC1(c2ccc(C(=O)Nc3ccc(NC(=O)c4ccccc4)cc3C(F)(F)F)cc2)CC1 540735075 OCTRGGNJMFSYIA-UHFFFAOYSA-N 449.432 5.765 30 20 IKED CCOc1ccc(-n2c(SCc3ccc(CC#N)cc3)nnc2-c2ccncc2)cc1 542214329 LFVDAZPAAIPFKQ-UHFFFAOYSA-N 427.533 5.086 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@@H](CSc4ccccc4)C3)n2)c(Cl)c1 542959546 XNMBXPSQAJMBEH-QGZVFWFLSA-N 437.956 5.043 30 20 IKED N#C[C@@H](C(=O)c1cnn(CCC(F)(F)F)c1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 543211563 JJIAAQLBEZGOIY-WRQGHLQJSA-N 448.514 5.250 30 20 IKED COc1cc([C@@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1S(C)(=O)=O 543962831 KXBXNYKSJPISTK-QZTJIDSGSA-N 434.561 5.049 30 20 IKED COc1ccc(Cc2noc(-c3ccc(Oc4ccc(C#N)cn4)cc3)n2)c(Cl)c1OC 547070162 DBICKIGOODWELN-UHFFFAOYSA-N 448.866 5.057 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 548943791 YBJIJKDABIYKOG-IBGZPJMESA-N 435.490 5.087 30 20 IKED CC(=O)Nc1cccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 551398839 ZIEPCBOKPMEEAB-UHFFFAOYSA-N 448.910 5.071 30 20 IKED CNc1ccc(C#N)cc1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C(C)C 552576828 RFXZWVONOSOLJE-UHFFFAOYSA-N 429.307 5.937 30 20 IKED C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC(c2c[nH]c3cc(F)ccc23)CC1 558984258 RYWXZANPGILUFK-UHFFFAOYSA-N 430.531 5.229 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 561071633 XLGQJOPDPOYODB-UHFFFAOYSA-N 448.404 5.474 30 20 IKED N#CCCCn1cc(C(=O)N2CCC(c3noc4cc(F)ccc34)CC2)c2ccccc21 562219855 HODKMLKYMLSHIY-UHFFFAOYSA-N 430.483 5.245 30 20 IKED CC1(C)CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)[C@H]1c1cccs1 567939603 KHEFVWFCRNETPM-QHCPKHFHSA-N 431.561 6.008 30 20 IKED COC(=O)c1nc(NC(=O)c2ccccc2Sc2ccccc2C#N)sc1C(C)C 569409224 UBZYNASJJGMTOI-UHFFFAOYSA-N 437.546 5.328 30 20 IKED COc1ccccc1Oc1ccc(NC(=O)N(C)CCOCc2ccc(C#N)cc2)cc1 573041653 WOQXZLVXIKFTNP-UHFFFAOYSA-N 431.492 5.040 30 20 IKED N#Cc1cc(Oc2ccc(NCc3ncc(-c4cccc(Br)c4)o3)cc2)ccn1 578183245 WQIFIZYNWMLHEY-UHFFFAOYSA-N 447.292 5.775 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)CCN(C)[C@H](C)c3nc4ccccc4s3)c2C#N)C1 581386793 NRYWJAIPBDPXCL-HUUCEWRRSA-N 438.622 5.376 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(-c3noc(CC(C)(C)C)n3)cc2)cc1 584383235 NITQGYPVRNQUOA-UHFFFAOYSA-N 432.524 5.284 30 20 IKED Cc1csc(Sc2ccc(C(=O)N[C@@](C)(C#N)C3CCCCC3)cc2[N+](=O)[O-])n1 584549167 JKLCZGGXRAROPO-FQEVSTJZSA-N 430.555 5.103 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](Sc1nc2c(cc1C#N)CCCC2)c1ccccc1 585688346 MPMDFRPWLHCORQ-DEOSSOPVSA-N 443.572 5.703 30 20 IKED Cc1csc(Sc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4o3)cc2[N+](=O)[O-])n1 603613603 FZQVVFPCTANCLP-ZDUSSCGKSA-N 436.474 5.142 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(CN2CCCCCC2)CC1 604365133 YWLREBWKZKVFJJ-UHFFFAOYSA-N 446.595 5.779 30 20 IKED COc1cc(CN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)ccc1SC 604502783 SZUGQSAFLJJCNW-UHFFFAOYSA-N 434.521 5.140 30 20 IKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604522830 FBZFJNAMZKZUKC-BKMJKUGQSA-N 441.531 5.982 30 20 IKED CC(C)c1ccc(-c2nnc(S[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)o2)cc1 608930485 ZEQUWIQLBINTSU-MRXNPFEDSA-N 438.528 5.427 30 20 IKED Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609104779 OQTSMIPTCQKFHC-UHFFFAOYSA-N 439.490 5.623 30 20 IKED Cc1cc(NC(=O)[C@H](C)Nc2ccccc2SC[C@@H](C)C#N)ccc1Br 609386957 AGSMBOUSDGJVLI-ZFWWWQNUSA-N 432.387 5.448 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 609426735 PQHXMNHPVYKNQJ-CQSZACIVSA-N 437.546 5.085 30 20 IKED CCN(C(=O)Cc1ccc(NC(=O)N[C@H](C)c2cccc(C#N)c2)cc1)c1ccccc1 610321986 JKIRIYWXLGGTQP-LJQANCHMSA-N 426.520 5.037 30 20 IKED N#Cc1ccc(NC(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)c(Cl)c1 610877258 FRGPCAUZIUIETC-UHFFFAOYSA-N 429.705 5.046 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1nc2ccccc2n1C(F)F 613403678 HPDDZQSGYRCZAR-CYBMUJFWSA-N 445.351 5.126 30 20 IKED C=C(C)COc1cc(CNC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1OC 622266626 VAMZIMWWBSHQPL-GJZGRUSLSA-N 425.413 5.649 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N(Cc1ccccc1)CC(F)F 675272353 YQWPONRQWHVLJO-STQMWFEESA-N 432.355 5.373 30 20 IKED C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(CC(F)(F)F)CC1 685534146 VERXWAIJCRSVFJ-UHFFFAOYSA-N 447.274 5.202 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCO[C@H](c2ccccc2Br)C1 725728252 HHIGFPDLPMNQLD-QHCPKHFHSA-N 447.332 5.201 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)C[C@@H](NC(C)=O)c2ccc(Cl)cc2)c1 728181348 CLERZLWZUICFPO-HSZRJFAPSA-N 436.964 5.184 30 20 IKED C[C@@H](NC(=O)CNc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1Cl 728200906 SDSRYSXXZNWHEK-MRXNPFEDSA-N 437.902 5.219 30 20 IKED C#Cc1cccc(N(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C(C)C)c1 728246220 QHQDBNJRIQTJJW-SFHVURJKSA-N 428.492 5.199 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCN(CCc3ccccc3)C2)cc1 728687186 DPVFRSCPDZVBNX-KCWPFWIISA-N 438.575 5.028 30 20 IKED CCOc1ccc(-n2c(-c3ccccc3)nn(CN(CCC#N)CC3CC3)c2=S)cc1 728904498 KUNUGBKIUYCCAM-UHFFFAOYSA-N 433.581 5.052 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(OCc3ccccc3)nc2)cc1 729187738 IAGWASXFBMZGID-JPYJTQIMSA-N 427.504 5.135 30 20 IKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(C2CCC2)C1=O 730460989 JOCUGQMOYXKZMG-IBGZPJMESA-N 445.947 5.300 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=S)Nc1ccc(C#N)c(Cl)c1 730955256 WHNYZAXHVWERNU-UHFFFAOYSA-N 440.903 6.045 30 20 IKED CCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H](C)Cc1ccc(OC)cc1 731398228 DOJXTSLBQQFMTN-FNZWTVRRSA-N 427.548 5.836 30 20 IKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)COC(=O)c3ncoc3C(C)C)c2C#N)C1 732384197 OUFBDYOJQZUTIY-AWEZNQCLSA-N 443.569 5.068 30 20 IKED CC[C@@H](c1ccccc1)c1nnc(NC(=O)NCc2cccc(O[C@@H](C#N)CC)c2)s1 733845653 VEUSMMAOCKUKPO-QUCCMNQESA-N 435.553 5.083 30 20 IKED C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1nc2ccccc2s1 734209190 YOYQEHPTDSNNCD-KRWDZBQOSA-N 442.544 5.824 30 20 IKED N#Cc1ccc([C@@H](OC(=O)c2oc3ccccc3c2CSC2CCCCC2)C(N)=O)cc1 734563731 ZJOOAYSVAISEAP-JOCHJYFZSA-N 448.544 5.254 30 20 IKED N#CCOc1ccc(Cl)cc1COC(=O)c1ccccc1SCc1cscn1 735341822 QJDOIPRTZFXWBK-UHFFFAOYSA-N 430.938 5.348 30 20 IKED Cc1ccc(F)cc1NC(=O)[C@H](C)OC(=O)c1ccccc1SCc1ccc(C#N)cc1 741819948 PHMNWUBTXUAUHL-KRWDZBQOSA-N 448.519 5.482 30 20 IKED C#CCOc1cc(F)ccc1NCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 742260926 NWIQHRKIVZHVNW-UHFFFAOYSA-N 436.097 5.502 30 20 IKED Cc1ccc(C)c(SCc2cccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)c2)c1 744029858 XKGDXZDJRRTGAR-FQEVSTJZSA-N 448.975 6.210 30 20 IKED N#C[C@H](COC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)Cc1ccc(F)cc1 744074173 KEUFNQUHZCRPQF-CQSZACIVSA-N 446.265 5.254 30 20 IKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)n1 746083821 CQRIFFWQCAMRDO-INIZCTEOSA-N 444.871 5.070 30 20 IKED Cc1ccc2[nH]cc(CCC(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c2c1 747108792 SJWLYJIESXSHHF-QFIPXVFZSA-N 437.499 5.549 30 20 IKED Cc1c(-c2ccccc2)oc2c(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)cccc2c1=O 747197103 ADWAAWADMSALEO-LJQANCHMSA-N 428.513 5.838 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnc(-c3ccccc3Cl)s2)cc1 748003790 KKOUWURDIIYIBW-KBXCAEBGSA-N 437.952 5.938 30 20 IKED CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 748834834 RYPWESAOZUWOGL-GAJHUEQPSA-N 427.570 5.236 30 20 IKED COc1cc(/C=C2/CC/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(F)(F)F 750903497 CGRKJDVSYLQYOA-CQRYCMKKSA-N 433.382 5.374 30 20 IKED C=CCn1c(SC[C@@H](O)c2ccccc2Br)nnc1-c1ccccc1C 751581767 SDTNJRQVNUHDHP-GOSISDBHSA-N 430.371 5.028 30 20 IKED N#C[C@@H](C(=O)Cc1c[nH]c2cccc(Br)c12)c1nc2cc(F)ccc2s1 754533803 KZBHVDPOEFIUJY-LBPRGKRZSA-N 428.286 5.098 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c(F)cc(Br)cc2F)cc1 755166488 QLYMVAOAORAVFH-KRWDZBQOSA-N 427.248 5.635 30 20 IKED Cc1ccc(Sc2ccc(C(=O)Nc3ccccc3O[C@@H](C)C#N)cc2[N+](=O)[O-])cc1 780152959 UXAUPDVMPRKXNL-INIZCTEOSA-N 433.489 5.598 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(COc2cccc(Br)c2)o1 780164945 FTHYBMIZKBRVTM-AWEZNQCLSA-N 441.281 5.164 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)c1nc(-c2ccccc2)cs1 780311364 AZRDTOROBQAMNF-MSOLQXFVSA-N 444.585 5.513 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N(C)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 780678152 RDJPAAHIZUSYTD-MOXGXCLJSA-N 431.458 5.796 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1Cl 787051804 VFKKSMGMTWDVIO-BONVTDFDSA-N 429.225 5.212 30 20 IKED O=C1O[C@@H](CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CC12CCC2 792278649 FDRYCXVPUBXNMX-OLZOCXBDSA-N 449.313 5.403 30 20 IKED C[C@@]12CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)C[C@@H]1C2(Cl)Cl 803547610 CSMURIQJDNNWDY-PZJWPPBQSA-N 431.388 5.506 30 20 IKED Cc1ccccc1[C@H](O)C1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 804515498 CXUYLCQVWYMGLT-HHHXNRCGSA-N 440.543 5.032 30 20 IKED Cc1cc(C#N)cnc1C(=O)O[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 815340504 CMEUEJHGRINROZ-HXUWFJFHSA-N 440.286 5.105 30 20 IKED N#CCSc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc(Cl)cc2)s1 843305189 UUMCGHVJWJALPU-UHFFFAOYSA-N 442.949 5.480 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 914521268 CRMLDOQZRLFILO-TWVWUCKLSA-N 439.353 5.418 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 915087332 SINYNSGNBJXAPI-QHCPKHFHSA-N 436.515 5.338 30 20 IKED N#C[C@@H](C(=O)CCc1nnc(-c2ccccc2)o1)c1nc(-c2ccc(Cl)cc2)cs1 915102351 XTXHIKCFRVWGBW-KRWDZBQOSA-N 434.908 5.323 30 20 IKED O=C(C1=Cc2ccccc2OC1)C(c1nc2ccccc2s1)c1nc2ccccc2s1 916844884 IPGNHLFURGQWET-UHFFFAOYSA-N 440.549 6.083 30 20 IKED COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OC(=O)c1ccc(C#N)cc1 916878627 QSTYJEPOQWXTLP-UHFFFAOYSA-N 436.467 5.500 30 20 IKED Cc1cc(-n2c(C)cc(C=Nn3cnc4sc(C)c(-c5ccccc5)c4c3=O)c2C)no1 917026040 KRLLBLMBZXBPNH-UHFFFAOYSA-N 443.532 5.020 30 20 IKED N#C[C@@H](C(=O)Cc1ccc(-n2cccc2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 917043514 KXILEEYLDBSDJX-KRWDZBQOSA-N 425.435 5.525 30 20 IKED C=CCNC(=S)/C(=C(/O)c1ccc(CC(C)C)cc1)[n+]1ccc(Cc2ccccc2)cc1 917606806 FSCCYMFHKLKDRT-UHFFFAOYSA-O 443.636 5.750 30 20 IKED CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(C(C)C)cc2)cc1 917611961 AKEOIXAWURIMHV-UHFFFAOYSA-O 442.608 6.245 30 20 IKED N#Cc1ccc(S(=O)(=O)Oc2cc(C(F)(F)F)ccc2Cl)c(C(F)(F)F)c1 917857516 GMPQGHKPUXMOFH-UHFFFAOYSA-N 429.725 5.017 30 20 IKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2cccc(Cl)c2)s1 920171369 UXEWZDSUNOGLNM-SCLBCKFNSA-N 448.013 5.071 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCCC3(F)F)cc2)CCC1)C(F)(F)F 1786465611 QVEDXCQQULLMRZ-INIZCTEOSA-N 430.417 5.065 30 20 IKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc4c(Cl)cncc4s3)CCC2)cc1 1787886176 JQKTYMHESUQGMV-UHFFFAOYSA-N 438.940 5.001 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc4c(c3)CCO4)CCC2)cc1 1789457934 HJBZHNWRBCTBRX-XMMPIXPASA-N 444.575 5.067 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc(Br)c(F)cc3F)CCC2)cc1 1791589827 JGZPNUZVKPRDSL-UHFFFAOYSA-N 449.295 5.051 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CC=CCC4)CCC3)cc2)c1 1792123032 HJHDOEVTWZDIOG-VQTJNVASSA-N 427.548 5.418 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3cccc(Cl)c23)n[nH]1 1819224577 CMAIINSLZQZENI-LIRRHRJNSA-N 439.947 5.063 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ccncc23)[nH]n1 1819556102 SZCDPWPQDYBOER-QFIPXVFZSA-N 445.567 5.256 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)cc(F)c2F)n[nH]1 1821331468 FKQPKFWIUXTMDX-OXJNMPFZSA-N 442.510 5.071 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3ccoc3c2)n[nH]1 1821458299 XHLUPHASVZGABS-CTNGQTDRSA-N 432.524 5.230 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3[nH]ccc3s2)CC1 1828331871 KFSHJPAGQJXVBE-OAQYLSRUSA-N 439.625 5.231 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccccc3)CC2)CC1 1828823835 HBZOHEIAUDHURW-DQEYMECFSA-N 434.624 5.106 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/Sc2ccc(C)cc2)CC1 1828879357 HDXVQJVOIVOFFR-QXKQUKBESA-N 440.653 5.433 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cc3ccccc3o2)CC1 1831370785 PCIBCNNRQTYEKQ-FSMAOSCWSA-N 434.580 5.278 30 20 IKED COc1ccccc1N/C(S)=C(/C(=O)c1cc(C)ccc1C)[n+]1ccc(C(C)(C)C)cc1 10118277 JQOKAPNQBRLBGY-UHFFFAOYSA-O 447.624 5.948 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)CCC2)=C(/S)Nc1cccc(OC)c1 11261661 CFONDMSDGOCERJ-UHFFFAOYSA-O 431.581 5.085 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc3ccccc3c2)nnc1-c1ccccc1OC 21456247 QSRAOSDVQRWDKR-QGZVFWFLSA-N 444.560 5.412 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCc2ccc(C(F)(F)F)cc2)cc1 23155990 IFAMEPBJJFLEQG-UHFFFAOYSA-N 440.490 5.842 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(CSc2nc(C)nc(C)c2C#N)cs1 29674217 ZLIFRLKYNNAMIP-UHFFFAOYSA-N 429.958 5.052 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1-c1nc2ccccc2s1 58416821 DFSCKSDJNSNDOK-UHFFFAOYSA-N 442.544 5.515 30 20 IKED O=C(CSCc1cc(-c2cccs2)on1)Nc1cccc(C#Cc2ccccn2)c1 61136695 JTMOACLBTDADNO-UHFFFAOYSA-N 431.542 5.070 30 20 IKED Cc1ccc(C#N)cc1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 63961821 DINSNABTHCIILW-UHFFFAOYSA-N 438.331 5.342 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1Cl 107875286 LEQJQPTVUGVHFT-NRFANRHFSA-N 442.906 5.117 30 20 IKED CC(C)(CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(Cl)c(Cl)c1 111198111 HMHDOEXAEOINLX-UHFFFAOYSA-N 446.378 5.114 30 20 IKED N#C[C@H](C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1nc(-c2ccncc2)cs1 195662430 VWZMXPIQLNTDLV-OAQYLSRUSA-N 434.524 5.698 30 20 IKED N#CCCn1cc(CNCC2(c3cccc(Br)c3)CC2)c(-c2ccccc2)n1 236650401 YUVWNDFSVUUNSD-UHFFFAOYSA-N 435.369 5.048 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N(Cc2ccc(F)cc2)C2CCOCC2)c1 427740131 JAQHDJHYHZXOCG-UHFFFAOYSA-N 444.506 5.098 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(c3ccncc3)CC2)cc1 429456939 UUWNLVJGSUSWLG-UHFFFAOYSA-N 426.520 5.138 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1)c1ccccc1 432826369 YOKNUAPOWNZKTO-XMMPIXPASA-N 438.531 5.446 30 20 IKED Cc1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)cc1NC(=O)c1ccncc1 433092498 XHRJVPIWDMKVLT-UHFFFAOYSA-N 426.501 5.289 30 20 IKED N#CCCn1cc(CNCc2ccc(-c3ccc(Cl)cc3)cc2F)c(-c2ccncc2)n1 433315469 FDHNQKLFZGGNLK-UHFFFAOYSA-N 445.929 5.608 30 20 IKED Cc1nn(C)cc1[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 438519460 SMZDIPZZPJWGQQ-CYBMUJFWSA-N 443.429 5.294 30 20 IKED CC(C)CCOc1cccc(NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)c1 438771519 CCDYCVKPFHOHRY-QGZVFWFLSA-N 425.554 5.083 30 20 IKED COc1ccc([C@@H](CNC(=O)CSc2ccccc2C#N)c2c[nH]c3ccccc23)cc1 439711403 QMHVLBLUARSLME-JOCHJYFZSA-N 441.556 5.089 30 20 IKED Cc1sc(Br)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1C 440479662 RYZHTMUHRJXFGY-UHFFFAOYSA-N 441.350 5.830 30 20 IKED C=CCC[C@H](NC(=O)N[C@H](c1nc(C2CC2)no1)C(C)C)c1ccc(C(F)(F)F)cc1 441523235 ZBPRYPKWOTZCSI-ROUUACIJSA-N 436.478 5.670 30 20 IKED N#CC1CCC(CNC(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)CC1 441654131 HGUPRFZIISCOPV-UHFFFAOYSA-N 435.915 5.527 30 20 IKED C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)C(=O)Nc1ccccc1SCCC#N 442523108 YIMDEXNANPNJSY-IBGZPJMESA-N 443.572 5.517 30 20 IKED N#Cc1cc(F)c(C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)c(F)c1 445716707 UNGXUQYGCPMBPC-UHFFFAOYSA-N 446.335 5.099 30 20 IKED C[C@]1(c2ccccc2)CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 446828364 ZTSLTZIAZQQVLK-MHZLTWQESA-N 425.532 5.527 30 20 IKED Cc1ccccc1[C@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)[C@@H](C)CO1 460393375 IWXXGLWXONVTTE-RXFWQSSRSA-N 426.516 5.456 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[C@@]2(CCCOC2)C1 460950805 SSNOQGHNVWGELI-IBVKSMDESA-N 432.568 5.154 30 20 IKED COc1cc(OC)cc(-c2cccc(NCc3cn(CCC#N)nc3-c3ccccc3)n2)c1 461184810 CXQHKECGYZWNHZ-UHFFFAOYSA-N 439.519 5.155 30 20 IKED CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)[C@@H](C)c2cccc(C#N)c2)c1 463268781 WOPFOTFYSRAYCE-VQTJNVASSA-N 425.532 5.410 30 20 IKED C=CCC[C@H](NC(=O)N1CC[C@@](CO)(c2ccccc2)C1)c1ccc(C(F)(F)F)cc1 464373288 INACSUQWVRFRJA-JTHBVZDNSA-N 432.486 5.058 30 20 IKED CC(C)(C)[C@H](C#N)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 464710878 LQMFBWAXJZYWID-GRFAERAESA-N 434.521 5.190 30 20 IKED CCOc1cc(-c2nnc(SCc3cc(F)ccc3C#N)o2)cc(OCC)c1OCC 468952292 NMLDVAZFEOYORD-UHFFFAOYSA-N 443.500 5.236 30 20 IKED CCCC(=O)Nc1cccc(NCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)c1C 470534060 NOEODHLSCYLJRN-UHFFFAOYSA-N 426.948 5.054 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(SC)c(Cl)cc2Cl)cc1 471351271 VTPAESNBLBPRPS-UHFFFAOYSA-N 435.376 5.782 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(Cl)cc1C(F)(F)F 471781679 QOMPWPAUURJTJU-UHFFFAOYSA-N 444.840 6.370 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 472326180 KRKPVJVPFANAKE-RFVSGWPVSA-N 446.979 5.440 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 473755358 RPGZYXNFZKOGPN-UHFFFAOYSA-N 446.363 5.383 30 20 IKED N#CC[C@H](CC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1)c1ccccc1 475524840 IIWJQWQGWJHQAE-WOJBJXKFSA-N 434.927 5.184 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 476125108 AATATGQZOBUKAF-BWKNWUBXSA-N 438.568 5.207 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(C(=O)C[C@H](CC#N)c3ccccc3)C2)n1 477090216 OJYPKHPQBPOLFX-SFTDATJTSA-N 445.588 5.612 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 480595706 AEWOIGFPSHBREH-INIZCTEOSA-N 425.554 5.053 30 20 IKED C=CCN(CC1CCCCC1)C(=O)N[C@H](c1cc(OC)c(OC)c(OC)c1)C(F)(F)F 482373375 SAGZSJWZCWQCFG-HXUWFJFHSA-N 444.494 5.094 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@@H](C#N)c3nccc4ccccc34)c2)cc1 483189034 AYJRQBOVDLLMSY-MHZLTWQESA-N 448.522 5.825 30 20 IKED CC(C)(SCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)c1ccccc1 485464470 JIXIAGQIUCVRBV-LJQANCHMSA-N 437.609 5.025 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccnc2OCC(F)(F)F)cc1Cl 487089920 VQNWPRWIZJRLBZ-SFHVURJKSA-N 445.828 5.584 30 20 IKED Cc1ccccc1[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C1CC1 490640986 OGQAIVMZDISXOQ-AREMUKBSSA-N 425.532 5.913 30 20 IKED COc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)cc1OCCCC#N 493905304 SKDYXYDULFDKQF-AREMUKBSSA-N 441.531 5.187 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)c3ccc(Sc4ccccc4Cl)nn3)n2)c1 501183663 AWGQUKSRFHGOAQ-UHFFFAOYSA-N 449.948 5.529 30 20 IKED CCCN(CCC)C(=O)c1ccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1 503616971 WUPMFTSNMDIUQD-UHFFFAOYSA-N 430.552 5.142 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@]1(Cc2ccc(Cl)cc2)CCOC1 505296631 ACPCUKHNCUMSQH-KSFYIVLOSA-N 429.973 5.115 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 507784212 JHICHEWEDMRRPT-UHFFFAOYSA-N 425.916 5.126 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@H](C)c2c(F)cccc2F)cc1 508276224 SPWBGYQXEGIZMK-OAHLLOKOSA-N 437.446 5.862 30 20 IKED C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@]2(C1)OCc1ccccc12 508956804 UBUQPOHCHYWDBG-HHHXNRCGSA-N 444.579 5.111 30 20 IKED N#CCCN(C(=O)CCC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1)c1ccccc1 508969934 ZLHNJMWNOAWMLC-UHFFFAOYSA-N 443.522 5.082 30 20 IKED COc1cc(NC(=O)c2ccccc2-c2ccccc2C#N)ccc1NC(=O)c1cccnc1 509292265 ZFCPCUNQOCVITN-UHFFFAOYSA-N 448.482 5.133 30 20 IKED CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510007111 WBWBWLXXPCILBJ-IRLDBZIGSA-N 435.980 6.598 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 510889514 IMRXZSYMRORICF-KRWDZBQOSA-N 440.503 5.426 30 20 IKED CN(CCOc1cccc(Cl)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511372059 FTXCJIPYECPTQP-UHFFFAOYSA-N 449.938 5.528 30 20 IKED COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)C2(c4cc(F)cc(C#N)c4)CC2)CCC3)cc1 511748150 IRDQPVLDLCYUMC-NRFANRHFSA-N 447.535 5.055 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ncc(Cc2cccc(F)c2)s1 513521958 VEUOOPHMABAGME-UHFFFAOYSA-N 427.549 5.261 30 20 IKED Cc1nc(NC(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)sc1SCC#N 517979042 LPSMAJPQQBCKPZ-QGZVFWFLSA-N 447.557 5.818 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1I 518740086 HLSGJKWIRGGICZ-CYBMUJFWSA-N 436.318 5.246 30 20 IKED Cc1nc(-c2c[nH]c(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c2)cs1 519106644 GFAYEQKIZDNCFL-IBGZPJMESA-N 432.936 6.008 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC=C(c4c[nH]c5ncccc45)CC3)cc2)cc1 519988805 MFSDHRLDOQHEII-UHFFFAOYSA-N 435.487 5.548 30 20 IKED CC(=O)c1cccc(O[C@H](C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 520117005 PPWHJUGOWPTRNU-HXOBKFHXSA-N 432.907 5.604 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 521151175 BUTMCHRFAZDLKD-UHFFFAOYSA-N 439.987 5.128 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)c1 522483639 YPKDZGDVBFPIFX-UHFFFAOYSA-N 449.919 5.683 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)c1 522573429 UFGFZCDETGQOIF-VWLOTQADSA-N 439.902 5.918 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N[C@]1(C#N)CCC[C@H](C)C1 522645258 KWBRETDSMJFZDS-LAJNKCICSA-N 433.936 5.304 30 20 IKED Cc1c(C[S@](C)=O)cccc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 523966252 KMKAUHNVSSIVEJ-PMERELPUSA-N 434.586 5.290 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cc(N4CCCC4=O)ccc3Cl)c2)c1 535527845 FNGSIFJRBIGZIU-UHFFFAOYSA-N 445.906 5.170 30 20 IKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 539209624 FZHSFLKKSOWCIQ-KRWDZBQOSA-N 426.545 5.738 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc2c(c1)nc(C(F)F)n2C 539694817 PMJAEPVMARQZTF-UHFFFAOYSA-N 433.418 5.131 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 539845941 MEVMXTDDXCZQQR-UHFFFAOYSA-N 436.393 5.806 30 20 IKED C[C@@H](NC(=O)Nc1cccc(C(=O)N2CCCC2)c1)c1ccc(-c2cccc(C#N)c2)cc1 543852414 UFUFBKNRJPGABN-LJQANCHMSA-N 438.531 5.344 30 20 IKED C=CCOc1ccc(CN[C@H](c2ccc(Cl)cc2)C2C[C@@H]3CC[C@H](C2)N3C)cc1OC 548993455 MCSVOHXIQYGDMG-HLNVTEATSA-N 441.015 5.617 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](c2ccccc2OC)C1 549666756 CHEARNSLTAJXHX-RBUKOAKNSA-N 436.531 5.136 30 20 IKED N#C[C@@H](NC(=O)c1ccc(OCc2ccncc2)cc1)c1ccc(OCc2ccccc2)cc1 552163182 ZKHRBZPXYXWWOI-HHHXNRCGSA-N 449.510 5.234 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F 552616875 SENARYULLHARDG-PGRDOPGGSA-N 445.535 5.142 30 20 IKED CC1(C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)CCN(c2ccc(Cl)cc2C#N)CC1 553426239 AHUIXVODVNWUBN-IBGZPJMESA-N 449.904 5.280 30 20 IKED N#Cc1ccc(-c2nnc(N3CC[C@@H](c4c(F)cccc4F)C3)n2Cc2cccs2)cc1 555439472 FMMMSWASJWCHJF-GOSISDBHSA-N 447.514 5.199 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3cc4c(Cl)c(Cl)ccc4[nH]3)CC2)c(F)c1 561307141 DBXKQDAHEBKSPZ-UHFFFAOYSA-N 432.282 5.169 30 20 IKED CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1S[C@@H](C)CC#N 561409305 ZNVKRHJKCPKPGS-INIZCTEOSA-N 435.515 6.542 30 20 IKED Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccccc1 566042884 RWHKGTNWBGUSCI-KRWDZBQOSA-N 428.565 5.164 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(N3CCc4ccccc4C3)cc2)c1C 570088028 MTRNBUKYFPHNPX-UHFFFAOYSA-N 447.542 5.176 30 20 IKED CCN(C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1nc2ccccc2s1 570717291 XNWFTROUOJLTIM-UHFFFAOYSA-N 438.984 5.481 30 20 IKED N#Cc1ccc(N2CCC(c3nc(CSc4ccc(Cl)cc4)no3)CC2)c(F)c1 571068425 FMKIPHUIWIFNCR-UHFFFAOYSA-N 428.920 5.410 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1 577537766 FHTQONFWWNEFNJ-ZWKOTPCHSA-N 432.549 6.151 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(Cc2ccc(C(F)(F)F)cn2)no1 577797738 KFHPZTOJTDYZAS-UHFFFAOYSA-N 429.320 5.325 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCn2c(cc3cc(Cl)ccc32)C1 581680086 ZNGILYCEDWPTPQ-UHFFFAOYSA-N 447.970 5.199 30 20 IKED COc1ccc(CN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C(C)(C)C)cc1 582205023 UQZLDHJDNZASEF-SFHVURJKSA-N 425.598 5.186 30 20 IKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N(CC(C)C)c3ccc(C#N)cc3)c12 603529868 OMYZJVKSENVUIM-UHFFFAOYSA-N 429.549 5.180 30 20 IKED C[C@@H](c1ccccc1)n1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccccc1 603917426 QYZBZRKPTFYHQM-INIZCTEOSA-N 445.573 5.218 30 20 IKED N#C[C@@H](C(=O)c1oc2ccccc2c1CSCc1ccccc1)c1nc2ccccc2o1 603940194 UBYHKWYRDHCCSZ-IBGZPJMESA-N 438.508 6.497 30 20 IKED C[C@](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)(C(=O)O)c1ccccc1 603953113 FXCBIUSOTPXTDI-XMMPIXPASA-N 434.879 5.375 30 20 IKED C[C@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1cc(F)c(Cl)cc1Cl 605010608 AMUDPRGAVUKRRJ-ZETCQYMHSA-N 441.174 5.720 30 20 IKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1-c1ccc(Cl)cc1 608864718 OPYRZYBEUNXSQH-UHFFFAOYSA-N 446.982 5.152 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(CCC3CCCCC3)o2)c1 608929524 DJWPZRWHXIXBCN-IBGZPJMESA-N 440.613 5.627 30 20 IKED Cc1cc(Sc2ccccc2)ccc1NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 608995757 XTNLLSGHCZZHDW-UHFFFAOYSA-N 443.576 5.203 30 20 IKED CCc1c(C)sc(NC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)c1C#N 609032538 MQWINAKOAOTSSE-UHFFFAOYSA-N 437.525 5.191 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1cccc(F)c1)C(C)C 609079574 GMLRVSQEIITYII-UHFFFAOYSA-N 431.511 6.027 30 20 IKED CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 609147618 UEYUMEIFGQHFGR-UHFFFAOYSA-N 431.452 5.096 30 20 IKED Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)c2cc3ccccc3n2CC#N)n1 609163201 FOSWMKZUYAZWMM-UHFFFAOYSA-N 437.425 5.239 30 20 IKED COc1cc([C@H](C)NC(=O)c2cc3ccccc3n2CC#N)ccc1OCc1ccccc1 609165493 XJZCSTOJURPUNW-IBGZPJMESA-N 439.515 5.243 30 20 IKED Cc1ccc(CN(C(=O)c2cc3ccccc3n2CC#N)c2ccc3c(c2)OCCO3)s1 609216763 QWRRMTGITVINDY-UHFFFAOYSA-N 443.528 5.153 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccccc2)cc1 609399360 PPYNLIYSIRFXSB-UUOWRZLLSA-N 431.561 5.858 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1nc(-c2ccc(Cl)cc2)no1 609682532 LNGMYWSIAMMBFS-ZDUSSCGKSA-N 427.917 5.106 30 20 IKED N#CCCn1ccc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccccc2)CCC3)n1 609789582 QSIJKZCJKJKFFD-CZIZESTLSA-N 433.515 5.474 30 20 IKED CN(C)C(=O)Nc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 610061273 ZIEOHDZUMZAJJK-OAQYLSRUSA-N 432.911 5.341 30 20 IKED COc1ccc([C@H](CNC(=O)N[C@@H](C)c2cccc(C#N)c2)c2c[nH]c3ccccc23)cc1 610400271 XFAIYLGOKQAYTO-UUOWRZLLSA-N 438.531 5.240 30 20 IKED CC(=O)N(c1nc(CN[C@@H](C)c2cccc(C#N)c2)cs1)c1c(C)cc(C)cc1Cl 611388977 VKQDIUGIFSYFQT-INIZCTEOSA-N 438.984 5.820 30 20 IKED N#C[C@@H](C(=O)c1ccc(C(F)(F)F)cn1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346554 LLFGIEONQBMODT-LBPRGKRZSA-N 442.249 6.021 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(OCC)c(F)c2)nnc1-c1ccc(Cl)cc1 615103618 CSQBKPYMSFVCTJ-UHFFFAOYSA-N 446.935 5.053 30 20 IKED O=C(Cc1cccc(OCC(F)(F)F)c1)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 622545147 CXHHUVHHSWWFBO-UHFFFAOYSA-N 449.366 5.176 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC(CC(F)(F)F)CC1 672732621 PTACXGVIAMWMPL-GDNZZTSVSA-N 428.339 5.270 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(CC(C)C)cc2)[n+]2cccc(C)c2)c1 726573083 LEFBOHSFUKDENE-UHFFFAOYSA-O 427.593 5.786 30 20 IKED C[C@@H](c1ccc(Cl)cc1Cl)N1C(=O)/C(=C\c2cccc(OCC#N)c2)SC1=S 726626574 DDZYHPVHCOZJQF-NNLQFVHNSA-N 449.384 5.858 30 20 IKED C[C@@H](Sc1nnc(Cc2cccs2)o1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 727268808 TZDANZHCZPRPBI-NFECSFHCSA-N 425.579 5.083 30 20 IKED O=C(Nc1ccccc1)c1cccc(CON=Cc2cccc(OCc3ccncc3)c2)c1 727435003 ODLCEIYTDTVFJX-UHFFFAOYSA-N 437.499 5.464 30 20 IKED Cc1cc(C(=O)Nc2nnc(SCc3ccccc3)s2)c(C)n1-c1ccc(C#N)cc1 728268596 PKSWWTOPDQFVII-UHFFFAOYSA-N 445.573 5.362 30 20 IKED O=C1/C(=C/c2ccc(-n3cncn3)c(F)c2)CCc2nc(-c3ccc(Cl)cc3)sc21 728438682 LAWIAUQAJYNOBD-OQLLNIDSSA-N 436.899 5.396 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1sccc1SC(F)F 730474882 SGXYVONWJIVEAT-JIGDXULJSA-N 427.382 5.702 30 20 IKED CC(C)(C)n1cc(C=NNc2c(F)c(F)nc(F)c2F)c(-c2ccccc2Cl)n1 731150679 GSGCBPHCZZMGBP-UHFFFAOYSA-N 425.817 5.356 30 20 IKED Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 731639309 TXRWNGYGAJVIKA-IBGZPJMESA-N 443.286 5.281 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 732734929 ITYQGLZYRDPAAX-UHFFFAOYSA-N 429.426 5.506 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccccc3Br)n2)cc1 732901182 LTOFZDUMPTZCFQ-ZBFHGGJFSA-N 441.350 5.525 30 20 IKED N#C[C@@H](NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1)c1ccc(Br)cc1 733253569 MWUFOZFECVGWQB-JBVUFVISSA-N 426.701 5.045 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)N[C@H](C#N)c1ccc(Cl)cc1)c1ccccc1 733258663 HWZHBLOYZYEYKB-VQTJNVASSA-N 427.932 5.067 30 20 IKED CCc1ccc(C(=O)Nc2sccc2C(=O)NCc2cccc(O[C@@H](C#N)CC)c2)cc1 733784559 FMXRSQDFMNOXGJ-HXUWFJFHSA-N 447.560 5.174 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C 737519107 YZUDBEPBHOEORI-UHFFFAOYSA-N 437.540 5.681 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)cc2)C[C@H](C)O1 737821504 SRXONCQAKDFGAE-OALUTQOASA-N 426.520 5.168 30 20 IKED Cc1ccc([C@@](O)(CC(=O)OCc2ccc(-c3ccccc3C#N)cc2)C(F)(F)F)o1 740752855 LCVAGGQHITUPQB-QFIPXVFZSA-N 429.394 5.010 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)cc1 743483249 XXQYRBWIDGLWFW-NRFANRHFSA-N 428.536 5.546 30 20 IKED CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2ccc(C#N)o2)NC(=O)N1Cc1cccs1 743740929 BUWPPEBJXBMURX-QFIPXVFZSA-N 446.532 5.009 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)C(C)(C)c1ccc2ccccc2c1 745416409 JRCYBMKPRHYQDD-IBGZPJMESA-N 444.531 5.005 30 20 IKED COc1ccc(-c2cnc(CNc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)o2)cc1 745993545 IRBGNQDWYMGXAQ-UHFFFAOYSA-N 445.906 6.066 30 20 IKED C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(F)c1 747109133 WVFPUWKLIMUPGI-UTKZUKDTSA-N 444.462 5.174 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 749005733 XSWHZQVHQIDNPE-UHFFFAOYSA-N 443.016 5.455 30 20 IKED N#C[C@@H](C(=O)CCc1cccc(F)c1F)c1nc(-c2ccc(Cl)cc2Cl)cs1 750396576 AYMQHAYPOHVPCQ-AWEZNQCLSA-N 437.298 6.204 30 20 IKED COC1CCN(c2ccc(NC(=O)N(CCC#N)CCC(C)C)cc2C(F)(F)F)CC1 750595984 QNKKKFRESBUSOP-UHFFFAOYSA-N 440.510 5.114 30 20 IKED Cc1nc2sc3c(c2c(=O)n1N=Cc1cnc(-c2cccs2)s1)CCCCC3 751521099 IZJSRWVIYDYVOU-UHFFFAOYSA-N 426.592 5.103 30 20 IKED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 753889276 CPBYAVURHXODMZ-IIDMSEBBSA-N 431.561 5.442 30 20 IKED Cc1sc([C@H](C)NC(=O)c2ccccc2SCC#N)nc1-c1ccc(Cl)cc1 755618485 GXMJMBSPBQGBSL-ZDUSSCGKSA-N 427.982 5.879 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2cc(Cl)ccc2O)cs1)c1ccc(F)cc1F 757467635 HGRDPUFPPCETKW-QPJJXVBHSA-N 434.851 5.361 30 20 IKED Cc1nnc(SCc2c(C(=O)OCc3ccc(F)c(C#N)c3)oc3ccccc23)s1 758934746 DXEZGRKXVMDLBI-UHFFFAOYSA-N 439.493 5.253 30 20 IKED C#CCNC(=S)/C(=C(/O)c1ccc(Cl)cc1Cl)[n+]1ccc(C(CC)CC)cc1 759054783 OLOIBQOMWHCDCI-UHFFFAOYSA-O 434.412 5.619 30 20 IKED COC(=O)C12CCC(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)(CC1)C2 759438686 VBYJMEYOYQNVMA-YJPTXTSQSA-N 449.359 5.417 30 20 IKED COc1cccc(C=C2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)c1 761619712 RNAJKUHUMIGSFR-MHZLTWQESA-N 437.543 6.062 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccc(F)c(C#N)c2Cl)c1 761785689 KDEPXKFCKGCPML-UHFFFAOYSA-N 443.935 5.124 30 20 IKED CC(C)(Oc1ccc(C#N)cc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 766265608 XXXAYPMXMDHJDR-OAHLLOKOSA-N 429.423 5.221 30 20 IKED C=C(C)[C@@H](NCc1cc(=O)oc2cc(NC(=O)OCC)ccc12)c1ccc(F)c(F)c1 775723370 KDIQFXWOLYDCTM-JOCHJYFZSA-N 428.435 5.047 30 20 IKED CC1(C)C[C@@H](N(Cc2ccccc2)C(=S)Nc2ccc(C#N)c(Cl)c2)C(C)(C)O1 776735555 ILUUDCWTVLZRHF-HXUWFJFHSA-N 428.001 5.757 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C[C@H]3CCCN3C(=O)OC(C)(C)C)n2)cc1 777296002 IAIAWLFBKKBEEC-QZTJIDSGSA-N 425.554 5.084 30 20 IKED CC(=O)N1C/C(=C\c2cc(Br)cc(C(F)(F)F)c2)C(=O)c2ccccc2C1 778519053 DGZJVLOZCNQFPS-GIDUJCDVSA-N 438.243 5.096 30 20 IKED CC(=O)N1C/C(=C/c2cccc(NC(=O)c3ccc(Cl)cc3)c2)C(=O)c2ccccc2C1 778520004 MYCXESOAVKSDDR-BKUYFWCQSA-N 444.918 5.221 30 20 IKED CC(C)(C)Sc1cc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)ccn1 779195473 YNVLUHUHCMMRSR-CQSZACIVSA-N 438.578 5.051 30 20 IKED COc1cc2c(cc1NC(=O)NCc1ncc(-c3cccc(C#N)c3)[nH]1)oc1ccccc12 782252604 WLFKHOZOLRAAQO-UHFFFAOYSA-N 437.459 5.178 30 20 IKED O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cc(F)c(C(F)(F)F)cc1F 804340996 TXZPYMAVGMBBDI-UHFFFAOYSA-N 437.246 5.305 30 20 IKED COc1ccc2cc(NC(=O)C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)ccc2c1 807306491 JYWLSDPRCBVPKW-UHFFFAOYSA-N 437.455 5.090 30 20 IKED CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813213809 QGBIJTHMJSLZSK-GVDBMIGSSA-N 439.478 5.140 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)ccc21 813217687 IWECVJDQKRELOB-KRWDZBQOSA-N 445.441 5.278 30 20 IKED C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc(Oc3ccccc3)nc2)no1 904451933 XPVZEGLIDZJNBI-KRWDZBQOSA-N 442.903 5.632 30 20 IKED Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1csc(Br)c1 914559586 QKHVGJCGABWOEU-UHFFFAOYSA-N 434.171 5.247 30 20 IKED N#C[C@@H](C(=O)CCc1cnn(-c2ccccc2)c1)c1nc2cc(C(F)(F)F)ccc2s1 915103749 DNBMJXWLOAGVBN-KRWDZBQOSA-N 440.450 5.310 30 20 IKED N#Cc1ccccc1N1CCCN(C(=O)Nc2ccccc2SCc2ccccc2)CC1 915359931 VOFYOSGOLNQMDB-UHFFFAOYSA-N 442.588 5.595 30 20 IKED N#CCOc1cccc(NC(=O)c2cccnc2Sc2ccc(Br)cc2)c1 916410931 IMGXUKJZAQNDDV-UHFFFAOYSA-N 440.322 5.150 30 20 IKED O=C(Nc1ccc(N2CCCC2)c(F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 916714587 WYYDTZHTDDZELL-RYUDHWBXSA-N 441.391 5.457 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc(Cl)cc1 916883388 QLQMRIYUPJDPPX-QGZVFWFLSA-N 430.316 5.007 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C 916925143 GYDBFSOQECSZCY-NRFANRHFSA-N 449.938 5.036 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCCCc2nc3ccccc3s2)cc1Cl 916938469 MQBWLYCGUBQKPD-HNNXBMFYSA-N 441.940 5.019 30 20 IKED Cc1cc(Cl)ccc1O[C@@H](C)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917045173 WKUVOYDXCLUWLL-FZMZJTMJSA-N 438.858 5.921 30 20 IKED COc1ccc(C(=O)/C=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1CC(=O)O 918713642 SBOXTQQKKHWZFF-FPLPWBNLSA-N 447.434 5.361 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 919796130 GARDEWBWWHELNZ-UHFFFAOYSA-N 432.612 5.446 30 20 IKED Cc1ccccc1C1(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CCOCC1 920109432 DZCUUZNWNJOWHK-IBGZPJMESA-N 436.964 5.697 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(CC(C)C)nn3C)cc2)CCC1 1788361644 AGXVWTQONRKPII-HSZRJFAPSA-N 448.611 5.135 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(F)c(Cl)c1 1800705144 FZEOGKNHRWHUCN-MUJYYYPQSA-N 441.374 5.377 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@H](CC)c2ccccc2)[C@@H]1c1cccnc1 1806268333 FNOUUEXDCUBSCZ-CYXNTTPDSA-N 445.607 5.050 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3occc3c2)[nH]n1 1819305686 NJGRQJIPBYATHG-FPOVZHCZSA-N 432.524 5.230 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(C)(C)C)oc2C)CC1 1831371889 ODMNGAWFXMKTGC-XMSQKQJNSA-N 428.617 5.331 30 20 IKED COc1cccc(/C=C2\C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)OCC#N)c1OC 8952659 WHEOOZBMIZZEKV-YWJBVVMDSA-N 428.488 5.055 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccc(CC)cc2)cc1 10173563 CAANHRBMVKSUNX-UHFFFAOYSA-O 445.652 6.663 30 20 IKED Cc1cc(C)c(N/C(S)=C(\C(=O)c2cc(C)sc2C)[n+]2cccc(O)c2)c(Cl)c1 10178920 CFFBVGOARYIIID-UHFFFAOYSA-O 446.017 5.679 30 20 IKED C=CCn1c(SCc2nnc(-c3ccccc3Cl)o2)nnc1-c1ccccc1OC 10242647 JAVHZMDZXFOSBA-UHFFFAOYSA-N 439.928 5.135 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2cccc(OC)c2)cc1 11261480 CIMMNWSCNVEKQR-UHFFFAOYSA-O 433.597 5.719 30 20 IKED COc1cc2ccccc2cc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 14621498 UHKNCOKTFNEQHQ-UHFFFAOYSA-N 432.530 5.116 30 20 IKED C[C@@H](Cc1nnc(SCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)o1)c1ccccc1 28805903 JFTHCIJCRIYBNF-HINJULBWSA-N 433.577 5.389 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2sc(-c3ccc(Cl)s3)nc2C)cc1 109206006 YZHAGGMHWKIIHZ-UHFFFAOYSA-N 432.958 5.393 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(-c3ccc(Cl)cc3)s2)cs1)C1CC1 217203021 MAPUEHFRUCQMSB-RMKNXTFCSA-N 428.966 5.936 30 20 IKED C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 252090270 HATXGHKGHGXROH-UZFJHSOTSA-N 443.934 5.842 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 301295115 OYCDGSNGJGCRJV-UHFFFAOYSA-N 433.437 5.496 30 20 IKED CCOc1ccc([C@H]2CCCN2C(=O)CSc2nc(C)cc(C(F)(F)F)c2C#N)cc1 302845652 MZNYWWKXOBGBLH-LJQANCHMSA-N 449.498 5.135 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 303330628 WLRUOLQJOOXMRL-INIZCTEOSA-N 433.489 5.891 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)Nc1cc(C2CCCCC2)[nH]n1 426571323 UPFCZHCDXDLQOC-UHFFFAOYSA-N 443.507 5.007 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C)c1cc(Cl)ccc1Cl 426838488 STBZFXBJBPOXBX-QWHCGFSZSA-N 436.364 5.061 30 20 IKED N#CCCn1ncc(C(=O)N(Cc2cccc(Br)c2)C2CC2)c1-c1ccccc1 428287426 DMJKSNMAGCWSNF-UHFFFAOYSA-N 449.352 5.031 30 20 IKED CCOc1nc(C(F)(F)F)ccc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 429111415 DVPQZIOESIMOTP-NSHDSACASA-N 425.819 5.252 30 20 IKED COCc1nc2cc(NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)ccc2o1 431076353 DQNNEWQKKIHGOT-LJQANCHMSA-N 446.894 5.927 30 20 IKED Cc1cc(C)c(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c(Br)c1 431988349 UPUSHCWYNSQLGJ-UHFFFAOYSA-N 428.330 5.013 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](Oc4ccncc4)C3)cc2Cl)cc1 433239854 MEGWCPIYTLNSOA-HXUWFJFHSA-N 434.883 5.084 30 20 IKED CCCNc1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 434153143 WYOQFDPFAJQXNL-UHFFFAOYSA-N 428.536 5.475 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(Oc3ccncc3)c2)cc1F 437480041 VIPFIJQWRUSUBV-UHFFFAOYSA-N 425.419 5.929 30 20 IKED Cc1cc([C@@H](C#N)C(=O)c2cccc(CSc3c(Cl)cccc3Cl)c2)nc(C)n1 442663892 XWJQRBRGVYQKEU-QGZVFWFLSA-N 442.371 6.183 30 20 IKED CCN(C[C@@H]1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)C1)CC(F)(F)F 444655197 SBDJJIVWMDZKSZ-NRFANRHFSA-N 429.530 5.092 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)c1nc(CC(=O)Nc2ccccc2Oc2ccccc2)no1 445333442 LQOCNLMXFYDBQN-KRWDZBQOSA-N 440.459 5.055 30 20 IKED N#CCCCCNC(=O)Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1 448155424 LBPONMVKUHVQEV-UHFFFAOYSA-N 429.343 5.541 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(C)n1Cc1ccncc1 460373664 FJUWWRLYEPYEEU-GOSISDBHSA-N 448.498 5.440 30 20 IKED CC(C)c1nn(C)c2sc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc12 463501639 OUWARIDQQSGAQQ-UHFFFAOYSA-N 448.523 5.600 30 20 IKED COc1cc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)ccc1OC(C)C 464229783 NVUGCAWWTJQVAQ-UHFFFAOYSA-N 432.524 5.129 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 464400736 AJVVYMYAUKPIJN-SNVBAGLBSA-N 427.860 5.737 30 20 IKED O=C(Cc1cccc(C(F)(F)F)c1)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 464722722 ASHJHROQZPTWMW-UHFFFAOYSA-N 431.311 5.230 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1 464852362 BZLSMQVUCAVOLI-UHFFFAOYSA-N 425.488 5.147 30 20 IKED Cc1c(F)cccc1NC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 465279031 XIOVUTVSFSCXBB-UHFFFAOYSA-N 425.300 5.269 30 20 IKED C=CCOc1ccccc1CNC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 469189811 ODKQNUHIZMARER-UHFFFAOYSA-N 446.334 5.247 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1nc(-c2c(F)cccc2F)cs1 473525521 PJRBWPBBISVHQE-HNNXBMFYSA-N 447.470 5.241 30 20 IKED C[C@H]1CN(C(=O)C[C@H](CC#N)c2ccccc2)c2ccccc2N(Cc2ccccc2)C1=O 476262893 RECNUQHLJPJBBB-URXFXBBRSA-N 437.543 5.290 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc1 477532741 YSHTXUZTADXBBV-UHFFFAOYSA-N 428.479 5.156 30 20 IKED C=C(C)[C@@H](NC(=O)c1ccc(NC(=O)c2cccs2)c(C)c1)c1ccc(F)c(F)c1 478919565 NKVZZJJUCAMFPF-OAQYLSRUSA-N 426.488 5.634 30 20 IKED Cn1cc([C@@H](NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)cn1 479403193 YTERUOVDGCUQEU-SFHVURJKSA-N 431.355 5.476 30 20 IKED C[C@@H](N[C@@H](CC(F)(F)F)c1ccccc1)c1ccc(OC(F)F)cc1OC(F)F 480906147 HLQWMQAAMBKCTM-ABAIWWIYSA-N 425.344 6.234 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1CCC[C@H]1c1ccncc1 481977182 YVQWIVZNRFBRJA-NRFANRHFSA-N 446.576 5.397 30 20 IKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3cnc4ccccc4n3)cc(-c3ccccc3)nc21 483228775 NBGHIXRBUCJOQJ-LJQANCHMSA-N 432.487 5.112 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1c1nc(C(=O)OCC)cs1 484658103 WOYWPFTXNPZIIZ-IBGZPJMESA-N 427.570 5.541 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)c1cnc(C(F)(F)F)nc1 488972059 BEEHDRPLJLDEFV-UHFFFAOYSA-N 449.298 5.421 30 20 IKED C=C(C)Cn1c(S[C@H](C(=O)Nc2ccc3c(c2)CCC3)C(C)C)nnc1-c1ccncc1 489446700 INTIUZDFEUVKFF-QFIPXVFZSA-N 447.608 5.160 30 20 IKED C=CCN(C(=O)c1cccc([C@@H]2CCCOC2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 499129760 GKGSENMTMJSUBC-HXUWFJFHSA-N 449.532 5.445 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(COc2ccccc2C#N)o1 500760796 ZINFMCPRVZUMTQ-UHFFFAOYSA-N 449.466 5.955 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Cn4nc(C)cc4C)c3)n2)cc1 501292993 YYKFWWXQXHEAEU-QFIPXVFZSA-N 426.545 5.470 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1ccc(F)cc1)c1nc2ccccc2s1 501777117 YSYWHOCTNXPSGW-INIZCTEOSA-N 431.492 5.308 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)n1 502691158 ZXYAPXZGWJUCQW-LJQANCHMSA-N 432.936 5.507 30 20 IKED CCN([C@@H](c1ccc(Cl)cc1)c1cccnc1)S(=O)(=O)c1ccc(C#N)cc1Cl 503445797 GHBHRUABZMRCIK-NRFANRHFSA-N 446.359 5.060 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@@H](c4ccccc4F)C3)cc2F)c1 504070080 QFDVDDUHXFOBFJ-LJQANCHMSA-N 433.458 5.437 30 20 IKED Cc1nc(COc2ccccc2C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cs1 505307180 BQYSCEXPEWDUAZ-QGZVFWFLSA-N 432.332 5.332 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCOC[C@H]1c1nc2ccccc2s1 505310357 KCJCQJAGQAKJFY-QAPCUYQASA-N 438.578 5.153 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ccc(F)c(F)c2)n1)c1nc2ccccc2n1C(F)F 505418651 AQGJKTNQTTVUKD-NSHDSACASA-N 430.386 5.323 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@@H]3/C=C\c3ccccc3)s2)cc1 506871943 DZAMITILPUOPPP-GHYICZDASA-N 447.589 5.412 30 20 IKED Cc1nc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)nn1-c1ccccc1C(C)C 507031026 DHJLXYAGRURGGC-INIZCTEOSA-N 435.940 5.452 30 20 IKED C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC(OCC2CC2)CC1 508811610 IGQBJEKFKFENSP-UHFFFAOYSA-N 444.579 5.106 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCn2cnc3ccccc32)cc1Cl 510024795 WCWSOQAKEAPBJS-OAQYLSRUSA-N 443.938 5.557 30 20 IKED C=CCOc1cccc(NC(=O)N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 510674688 LBMLUWVVPYYLLA-KRWDZBQOSA-N 433.483 5.526 30 20 IKED Cc1ccccc1[C@H]1CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511379566 CLVBUGNYYNBQLU-AREMUKBSSA-N 425.532 6.009 30 20 IKED CCN(CC)C(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 511748780 UCTKAGPLBBFATP-MRXNPFEDSA-N 439.487 5.060 30 20 IKED C=CCN(C(=O)c1ccc(OCC2CC2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 512384832 XCXIHHXGVUSPPC-UHFFFAOYSA-N 435.505 5.340 30 20 IKED N#Cc1cccc(F)c1CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCC2 512663793 QIQAKLKJDJNRLY-UHFFFAOYSA-N 433.533 5.705 30 20 IKED CC(C)CCOc1ccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 513671691 KZKGOOOXHWQRRG-SFHVURJKSA-N 435.549 5.191 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C(C)C)nnc1-c1ccoc1C 514984936 ANTBSNYGAGLPLD-OAQYLSRUSA-N 436.581 5.277 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(Sc3nncs3)cc2)cc1 516522144 QMHBWPTYPUXXJD-UHFFFAOYSA-N 444.541 5.392 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@H](c3ccc(F)cc3)[C@@H]3CCCO3)cc2)c1 517530627 UKHLKVKLKYMDQL-BJKOFHAPSA-N 431.467 5.531 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4[nH]c5c(c4c3)CCCCC5)n2)cc1 517800837 LGORSZYSIOKLBX-OAQYLSRUSA-N 436.540 5.922 30 20 IKED CN(CCCc1nc2ccccc2[nH]1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 518388636 XPAVLCPRVRQUBA-UHFFFAOYSA-N 428.467 5.071 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(NC(=O)C2CCCC2)c1 518683051 GWIRIWAWTMUMMM-KRWDZBQOSA-N 436.581 5.389 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 519988081 DGYOMJDHHBVAHW-UHFFFAOYSA-N 434.540 5.186 30 20 IKED COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 520438011 YQXQTZVUHUMIQS-VWLOTQADSA-N 441.531 5.823 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@H](c3ccccc3)C3CCC3)s2)cc1 520586119 HQXOHRPBKLHMKW-LJQANCHMSA-N 435.578 5.365 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 521259127 ILOGUQBZTVIZSO-UTKZUKDTSA-N 443.016 5.550 30 20 IKED COc1ccc([C@@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1Br 521810264 JVPWMIJUGRGSPI-UONOGXRCSA-N 448.386 5.735 30 20 IKED COc1ccc2oc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)c(C)c2c1 522246693 NOJDEOYZCINJFT-UHFFFAOYSA-N 428.444 5.675 30 20 IKED N#CCCn1cc(CN2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c(-c2ccccc2)n1 536695523 GNHUDIOZIUZKCU-JOCHJYFZSA-N 440.469 5.056 30 20 IKED CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 538523064 DJABTDNRWUVLPF-HNNXBMFYSA-N 429.567 5.991 30 20 IKED Cc1cc(-c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)c3cnn(C(C)C)c3n2)c(C)o1 540744420 JHPURTBETKMEFY-GOSISDBHSA-N 438.491 5.255 30 20 IKED CN(Cc1cc(F)c(F)c(F)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 540814495 VUWNCYDNNNRJGW-UHFFFAOYSA-N 439.437 5.413 30 20 IKED Cc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c2cccnc2c1C 541135735 HCBIEHOGSXFOOL-LJQANCHMSA-N 448.526 5.206 30 20 IKED N#CCCn1cc(/C=C\c2nc(Cc3nc4ccccc4n3C(F)F)no2)c2ccccc21 545621367 HCAWAJQJDAGYAD-KHPPLWFESA-N 444.445 5.444 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)cc1 547854074 OWRNYBIHTCNWJR-MRXNPFEDSA-N 426.826 5.073 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1[C@H]2C=C(c3ccnn3C)C[C@H]1CC2 548971682 ULPGOVDIQVFLAP-NHCUHLMSSA-N 439.519 5.245 30 20 IKED CC(C)C(=O)c1ccc([C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 549009590 LPNRANGXOXGYLU-HNNXBMFYSA-N 448.510 6.292 30 20 IKED O=C(c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 553348615 SBCZCKMFKPQZQG-ACJLOTCBSA-N 449.366 5.144 30 20 IKED N#C[C@@H](C(=O)c1coc(C2CCOCC2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 555132102 HRXSIFVFKPTZFB-AWEZNQCLSA-N 448.331 5.489 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1-c1nc(Cc2cccnc2)no1 559975621 DRIOKOIMBYXYFC-UHFFFAOYSA-N 431.521 5.061 30 20 IKED N#Cc1ccc(OCc2cccc(-c3nc(CC(=O)Nc4ccccc4Cl)no3)c2)cc1 563993159 MRLBEGMQCCPGIP-UHFFFAOYSA-N 444.878 5.022 30 20 IKED CN(CC(C)(C)C)C(=O)c1cccc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1 571543919 ANMMDIADSWXXQL-UHFFFAOYSA-N 442.519 5.116 30 20 IKED N#Cc1ccc(-c2nc(CC(=O)Nc3ccccc3Oc3ccccc3)no2)cc1Cl 589145719 KQNNRXVIKZETAA-UHFFFAOYSA-N 430.851 5.235 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3ccccc3SCc3ccco3)cc2)ccn1 589541631 VCXCJHXMHBLQED-UHFFFAOYSA-N 427.485 5.883 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3cc(Br)c4ccccc4c3)CC2)cc1 590218781 AMYQGQQELUOCTQ-UHFFFAOYSA-N 435.321 5.158 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2nc3cc(Cl)ccc3o2)n(C2CCCC2)c1C 590614776 JXNKWNJZFTWDFR-UHFFFAOYSA-N 428.945 5.617 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)s1 603740310 ZTKSQSRPSWKNOD-UHFFFAOYSA-N 446.557 5.729 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 605028552 CYLQTBFTXFXBSU-UHFFFAOYSA-N 432.389 5.497 30 20 IKED Cc1noc2nc(C(C)C)cc(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)c12 609173257 NLRNDZKTJQKFFI-HSZRJFAPSA-N 440.503 5.228 30 20 IKED N#CCCCOc1cccc(NC(=O)Cc2cccc(OCc3ccccc3Cl)c2)c1 609262181 QWDKWJFDTGDCGM-UHFFFAOYSA-N 434.923 5.783 30 20 IKED CC(C)N(Cc1ccc(Br)cc1)C(=O)Nc1ccccc1SC[C@H](C)C#N 609398186 JLXBIMXYKUMPGM-MRXNPFEDSA-N 446.414 6.143 30 20 IKED N#CCCn1cc(/C=C/c2nc(-c3ccc(OCc4cccnc4)cc3)no2)c2ccccc21 609475605 MGANMKUKHMVZLD-JLHYYAGUSA-N 447.498 5.749 30 20 IKED COc1cccc([C@H](CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)N(C)C)c1 609729551 DQVOMDNOQYHFFT-QHCPKHFHSA-N 449.938 5.045 30 20 IKED N#Cc1ccc(SCC(=O)Nc2ccnc(Oc3ccccc3Br)c2)cc1 609816046 CQMLJHDSDJDAAT-UHFFFAOYSA-N 440.322 5.239 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3C(=O)c3ccc(F)cc3)n2)cc1 613318292 VMHMAQHXBYWQNX-JOCHJYFZSA-N 440.499 5.979 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1nc(C(F)(F)F)cs1 618746983 HQUXABLIIZEIHN-LLVKDONJSA-N 433.415 5.104 30 20 IKED N#C[C@H](C(=O)c1cnc(-c2ccccc2Cl)s1)c1nc2ccccc2n1C(F)F 622977817 XSQPKWKXVRYTPG-GFCCVEGCSA-N 428.851 5.698 30 20 IKED Cc1c(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2ccccc2)sc2ccccc12 726570100 RVWMRWBYXIHQKC-UHFFFAOYSA-O 446.577 5.004 30 20 IKED CC(=O)c1ccccc1NC(=O)CNc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728053247 XDUKEAZNTHWKAF-UHFFFAOYSA-N 433.895 5.044 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)C[C@@H](c1ccccc1)C(F)(F)F 728766585 CNJKQODOFYHIQX-GJZGRUSLSA-N 438.833 5.041 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(COc4ccccc4)c3)CC2)cc1 729034157 BAJNDKUPZSTMJU-UHFFFAOYSA-N 427.504 5.213 30 20 IKED N#C[C@@H](C(=O)Cc1coc(-c2cccs2)n1)c1nc(-c2c(F)cccc2F)cs1 730073993 VSVAHWLDVVSELO-LBPRGKRZSA-N 427.457 5.224 30 20 IKED COc1ccccc1C[C@@H](C)CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 730686975 KRLJWEBZTZWRNK-KNQAVFIVSA-N 442.515 5.404 30 20 IKED Cc1ccnc2sc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)c(C)c12 731075234 XMXUZOBXEFKXQJ-CQSZACIVSA-N 439.562 5.103 30 20 IKED N#Cc1ccccc1COc1cccc(CNCC(=O)Nc2cc(Cl)ccc2Cl)c1 732229158 FKILWKQHZJNOTH-UHFFFAOYSA-N 440.330 5.172 30 20 IKED FC(F)(F)c1cc(NN=Cc2ccc(N3CCCCC3)s2)nc(-c2ccccn2)n1 733080137 PXKBMUASYDENFE-UHFFFAOYSA-N 432.475 5.055 30 20 IKED O=C1/C(=C/c2csc(-c3cccc([N+](=O)[O-])c3)n2)Cc2c(F)cc(Br)cc21 733084165 XGAYZQBMOGRJIX-NYYWCZLTSA-N 445.269 5.442 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2csc(-c3ccc(Cl)s3)n2)ccc1OC 733231978 LZJBXEXCYSZQCA-CYBMUJFWSA-N 447.969 5.145 30 20 IKED N#Cc1ccccc1/C=C\C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 733234250 QVGANNVWOXQYTK-UITAMQMPSA-N 427.357 5.555 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2cccnc2SCc2ccc(F)cc2)c1 733771311 ROCONHAIVNUIFO-HXUWFJFHSA-N 435.524 5.124 30 20 IKED C=CC[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1)c1ccncc1 734684818 WPLKHUFFIRIALC-RDPSFJRHSA-N 449.576 5.135 30 20 IKED CC(=NNc1cccc(C(F)(F)F)n1)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 739422368 YJAOOWJXTWBCNW-UHFFFAOYSA-N 448.470 5.046 30 20 IKED O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)c1ccc(S(=O)(=O)C2CCCC2)cc1 741447238 JTJZMJPPBYCRJL-IZZDOVSWSA-N 446.952 5.114 30 20 IKED CS(=O)(=O)c1ccc(C(=O)/C=C\c2ccc(-c3ccc(Br)cc3)o2)cc1F 741847815 RNWFAIJPQPHXGA-CLFYSBASSA-N 449.297 5.148 30 20 IKED N#Cc1ccccc1N1CCC(NC(=O)/C=C\c2cc(C(F)(F)F)ccc2Cl)CC1 742193666 JZAZJVBHTKVLJG-YVMONPNESA-N 433.861 5.029 30 20 IKED COc1c(Br)cc(Br)cc1/C=C\C(=O)c1ccc2c(c1)COC2 742436457 KJUHMEANRIFTSI-PLNGDYQASA-N 438.115 5.147 30 20 IKED CCCN1C(=S)N[C@H](c2ccc(C#N)o2)C(c2nc3ccccc3[nH]2)=C1c1cccs1 743740542 UPZRCWWNCXLGRT-HXUWFJFHSA-N 445.573 5.299 30 20 IKED N#C[C@H](C(=O)CCc1nc2cc(Br)ccc2s1)c1ccc2ccccc2n1 744015714 BHZHWPMEMXWVIT-HNNXBMFYSA-N 436.334 5.416 30 20 IKED CCOc1ccc(C=NO[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1OC 744443497 KLXKEQXBJWZYJE-CYBMUJFWSA-N 435.402 5.274 30 20 IKED N#Cc1cc(NC(=O)COc2ccc(C3SCCCS3)cc2)c(Cl)c([N+](=O)[O-])c1 746486378 NJAHLHKJUOALGO-UHFFFAOYSA-N 449.941 5.006 30 20 IKED CCCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H](C)c1ccccc1OC 746658856 HPEFESUGMPXKDY-CJFMBICVSA-N 427.548 6.356 30 20 IKED Cc1ccc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1N1CCOC1=O 746723227 DQNSZQMEQPDCIT-UHFFFAOYSA-N 428.448 5.260 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)cc1 747109651 ZHELZDUDKIVWEQ-QGZVFWFLSA-N 443.450 5.352 30 20 IKED COc1cccc(/C(C)=C/C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 751825465 AEXKDLNTTUMXJY-WQEMPZKUSA-N 426.472 5.238 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccco2)c1 752101465 MQMAJOKYCCBMOA-UKILVPOCSA-N 444.531 5.239 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)cc1C#N 752194130 NVZMGXRFKLAODX-MSOLQXFVSA-N 446.532 5.425 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2c(F)cccc2OC(F)F)cc1 752635751 HJWGDUXOBLXQID-GOSISDBHSA-N 425.410 5.404 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2Cn2cnc3ccccc32)cc1 756302736 PDMNUBZUIWQHRP-DNQXCXABSA-N 435.531 5.388 30 20 IKED C[C@H](ON=Cc1ccccc1OC(F)F)c1nnc(-c2ccc(Cl)cc2Cl)o1 757613783 KBLXWURVLFEWDQ-JTQLQIEISA-N 428.222 5.757 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1sc(-c2ccccc2)nc1C(F)F 762026215 SDLQQEGPUYZJTM-GFCCVEGCSA-N 431.851 5.362 30 20 IKED Cc1ccc[n+](/C(C(=S)Nc2ccccc2-c2ccccc2)=C(/O)c2ccc(C#N)cc2)c1 762441410 SPXMUDCKJMFMMG-UHFFFAOYSA-O 448.571 6.145 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 767765002 XKPJKIODXSRHLT-DOTOQJQBSA-N 433.499 5.979 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1C(F)F 769123031 VTBZZKWFVCHJEH-MRXNPFEDSA-N 448.395 5.767 30 20 IKED O=C(Nc1ccccc1[C@H](O)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 777832904 LFUIGZLJUPCMNY-ZDUSSCGKSA-N 431.254 5.572 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 780148717 MLQKKQUFVMSBNX-GFCCVEGCSA-N 429.263 5.119 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CCc3[nH]c4ccccc4c3C2=O)cs1 781551853 NSGNVTQLAYRKRU-NTCAYCPXSA-N 431.492 5.661 30 20 IKED Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)NCc1ccc(C#N)cn1 782050119 JTNQFHGUPGSYNU-UHFFFAOYSA-N 442.498 5.320 30 20 IKED N#Cc1ccc(CNC(=O)Nc2c(Oc3ccc(Cl)cc3)ccc3ncccc23)nc1 782057881 CRQHKYPRCWPBQS-UHFFFAOYSA-N 429.867 5.269 30 20 IKED Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 782235041 POOXTBWCQTTZSY-IBGZPJMESA-N 448.548 5.706 30 20 IKED COC(=O)Nc1ccc(CCNC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 782514288 GFPWDAGCZHPYAD-GOSISDBHSA-N 442.519 5.006 30 20 IKED Cc1ccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1N1CCOC1=O 782580604 BAPIYXGHRPRRAU-GOSISDBHSA-N 440.503 5.373 30 20 IKED COc1ccc(Cn2ccc(NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)n2)cc1 782708544 QFMCEZXNVLYVJL-XMMPIXPASA-N 437.503 5.239 30 20 IKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)C(=O)NCc3cccc(Cl)c3)sc2C)cc1 786533133 DTVQWVYVHMIEQQ-HXUWFJFHSA-N 438.936 5.024 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)NCc2ccc(F)cc2F)sc1-c1cccc(Cl)c1 786565814 ZCRPGBJROYFQLU-KRWDZBQOSA-N 444.890 5.294 30 20 IKED COc1cccc([C@H](C)CCCC(=O)[C@@H](C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)c1 789401981 AYIVBVXANCPJGA-DNVCBOLYSA-N 442.943 5.287 30 20 IKED C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccsc1 792751348 BPSYVLQLWCQBAW-YJBOKZPZSA-N 445.997 5.082 30 20 IKED CC1=C(Br)CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CC1 797622130 DOZLBGFHGGQPLT-UHFFFAOYSA-N 440.341 5.352 30 20 IKED COC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C 798025814 QUZNWCJTUOGMRM-KRWDZBQOSA-N 428.492 5.595 30 20 IKED COc1ccc(-c2cc(C(=O)Nc3scc(C)c3C#N)c3ccccc3n2)cc1OC 809004773 FQZFYWWPDFKXKJ-UHFFFAOYSA-N 429.501 5.413 30 20 IKED C=CCSc1ccccc1NC(=O)COC(=O)c1c(F)cc(C(F)(F)F)cc1F 811420154 SQTFKXLVWVPZJK-UHFFFAOYSA-N 431.382 5.057 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCN(c3ccccc3F)C2)cc1 812919280 KCOYZUVWKVCTLX-XXBNENTESA-N 428.511 5.129 30 20 IKED COc1ccc(-c2nc(SCCOc3ccc4ccccc4c3)nc(O)c2C#N)cc1 914836913 XPEUEGPKHVDOHX-UHFFFAOYSA-N 429.501 5.054 30 20 IKED N#C[C@@H](C(=O)CCc1nnc(-c2ccccc2)o1)c1nc2cc(C(F)(F)F)ccc2s1 915104908 WYGSXHXPWLIZIL-AWEZNQCLSA-N 442.422 5.174 30 20 IKED COc1cc(C)ccc1Oc1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cn1 915179902 XVAARCWFVQZNOV-UHFFFAOYSA-N 428.448 5.007 30 20 IKED O=c1c2cnn(-c3ccccc3)c2ncn1N=Cc1c2ccccc2c(Cl)c2ccccc12 916318839 MJOKYAUDYDBUHT-UHFFFAOYSA-N 449.901 5.424 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 916907863 NODJGAVMADAGGM-HXUWFJFHSA-N 449.938 5.400 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(C)Cc2cccc(C(F)(F)F)c2)c1=S 917475199 ZKYCPIQUEJYMPZ-UHFFFAOYSA-N 448.514 5.384 30 20 IKED Cc1ccc(-c2nnc(S)n2N=Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 918709517 ODYAVWNQAZFGLJ-UHFFFAOYSA-N 445.495 5.567 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 920108254 DHUQSGGKMKDIHM-YWZLYKJASA-N 430.470 5.671 30 20 IKED N#C[C@@H](C(=O)CCc1cc(F)ccc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1 920111462 WPBOIBACWBFKKU-HNNXBMFYSA-N 437.298 6.204 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)cc1 920234994 PGOJPRMBAVWSAR-DMDYGQEQSA-N 425.532 5.631 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCc3c(ncn3-c3ccccc3)C2)cc1 929078644 VRPBIODYZGWDJE-UHFFFAOYSA-N 434.499 5.043 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1ccc2nc(O)oc2c1 1562322330 VDUSDKVHNOCKBY-MRXNPFEDSA-N 442.475 5.175 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](CC)N(CC)CC)cc2)CCC1 1786450377 AYVRMIUDMTVOSF-PKTZIBPZSA-N 425.617 5.009 30 20 IKED CC(C)n1cc(C(=O)NC2(c3ccc(NC(=O)CCC#N)cc3)CCC2)c(C(F)(F)F)c1 1787885730 IHKXGODEDOLWBP-UHFFFAOYSA-N 446.473 5.139 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3c(C)nc4ccccn34)CCC2)cc1 1789625932 FTBBONUQXYAIAZ-UHFFFAOYSA-N 444.579 5.383 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@H](C)c3ccccc3)CCC2)cc1 1790569562 DHXRXJCOMIWGMS-PMACEKPBSA-N 435.568 5.115 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cccc(C)c3[nH]2)n[nH]1 1819024422 GZTKYUKROYCKFN-SIKLNZKXSA-N 445.567 5.274 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3[nH]c(C)cc3c2)[nH]n1 1819555855 FVYPKXOSXKQKRM-JOCHJYFZSA-N 447.583 5.498 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(F)cc2)CC1 1824144897 LWIQCHSSJKXTSN-VWLOTQADSA-N 440.603 5.146 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3[nH]ccc3s2)CC1 1828828287 HCTQJLWFTYIHNT-PZJWPPBQSA-N 439.625 5.231 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C23CCC(CC2)CC3)CC1 1828829238 GEVQVWTUNCQNNL-BPJCCPMQSA-N 426.645 5.345 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 1828831066 UIVWUTCWFDNIHI-MASZLTEFSA-N 426.645 5.201 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(OC)c2)CC1 1830462487 GPFHXEYKKXXCLF-RPBOFIJWSA-N 438.612 5.005 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccoc3cn2)CC1 1830820113 XDIFKWAIOCTKNB-JOCHJYFZSA-N 437.584 5.054 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3[nH]c(C)cc3c2)CC1 1831034599 CSZKUOUPGHFEAQ-RSXGOPAZSA-N 447.623 5.478 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2ccccc2)[n+]2ccc(C(CC)CC)cc2)c1 15247782 HZDFTLJXCNDMKE-UHFFFAOYSA-O 431.625 6.491 30 20 IKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N(C)Cc1ccc(C#N)cc1 25119167 LTOYRNZTINLMJJ-UHFFFAOYSA-N 425.488 5.168 30 20 IKED CCN(CC)Cc1ccccc1CNC(=O)c1ccccc1Sc1ccccc1C#N 26309018 MQHTXYLISBFJNZ-UHFFFAOYSA-N 429.589 5.481 30 20 IKED C=CCN(Cc1ccccc1)C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 30526243 JSWSWOJJHXAWLC-DEOSSOPVSA-N 432.951 5.416 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2cccc3ncccc23)C(C)C)nnc1-c1ccco1 30714411 VKMSAHYGOZDPCX-FQEVSTJZSA-N 433.537 5.028 30 20 IKED C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NCc1cccc(OCCCC#N)c1 237540235 PXKPYYDKJBLBNB-QVKFZJNVSA-N 431.399 5.704 30 20 IKED COc1ccc(CNCc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1OCCCC#N 237545665 LQGQROCVGSFNJV-UHFFFAOYSA-N 426.520 5.211 30 20 IKED CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 303371199 SOGUQOYPSHBSGI-UHFFFAOYSA-N 432.499 5.085 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2c(CC)ccc(Cl)c2CC)nnc1-c1ccco1 428361079 FJTDIFIDTSWIPX-UHFFFAOYSA-N 444.988 5.623 30 20 IKED COc1ccc2oc([C@@H](C)NC(=O)c3cnn(CCC#N)c3-c3ccccc3)c(C)c2c1 428709483 MBTYAJMMXRSZDH-QGZVFWFLSA-N 428.492 5.018 30 20 IKED C[C@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)[C@H](C)c1ccccc1C(F)(F)F 428800397 CSEJBOOCDMMZIU-IRXDYDNUSA-N 440.469 5.405 30 20 IKED COc1cc(CNC(C)(C)c2ccccc2[N+](=O)[O-])ccc1OCc1cccc(C#N)c1 429245884 PYVDNUYPQMFOAF-UHFFFAOYSA-N 431.492 5.079 30 20 IKED N#CCSc1cccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4[nH]2)CCCC3)c1 429960499 YAKFPIBBILROOX-UHFFFAOYSA-N 444.585 6.038 30 20 IKED COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@H](CCCC#N)c1ccccc1 431910636 CERVANBYEJKFJC-HNAYVOBHSA-N 430.346 5.253 30 20 IKED N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3cccc(CSCc4ccccc4)c3)C2)nc1 433163817 PQYMDSDSJZGHJV-HSZRJFAPSA-N 444.560 5.072 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(F)(c3ccccc3)CC2)cc1 433265457 KKWZSLUTNGODNZ-UHFFFAOYSA-N 443.522 5.824 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c12 436345717 NIPVURZSUHVNGW-GMAHTHKFSA-N 443.595 5.530 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 438838679 GAFPVOYTAQJDER-UHFFFAOYSA-N 445.997 5.613 30 20 IKED N#CCC[C@H](NC(=O)Nc1ccc(I)cc1Cl)c1ccccc1 439309933 MJPQMLSVRWDZMQ-HNNXBMFYSA-N 439.684 5.111 30 20 IKED COc1cc(CNC(=O)N[C@@H](CCC#N)c2ccccc2)ccc1OCc1ccccc1 440219852 UXVRIHOQDNIDEA-QHCPKHFHSA-N 429.520 5.118 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Br)ccc3C)n2)cc1 442870094 FLEUBQZUWVZZDR-QGZVFWFLSA-N 427.323 5.380 30 20 IKED Fc1ccc(-c2nc(CN[C@@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)no2)c(F)c1 444618143 ISZKCNQFHAZUBP-HNNXBMFYSA-N 437.290 5.427 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2sc(-c3ccccc3C)nc2C)c1C#N 445567534 SFAGWDLSHCXHEZ-UHFFFAOYSA-N 445.573 5.459 30 20 IKED FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1noc(C(F)(F)c2ccccc2)n1 445813090 CRMVPWZDPQHIRA-UHFFFAOYSA-N 439.262 5.232 30 20 IKED CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)C1 460331229 QFJCZOGNKVCFCO-GHTZIAJQSA-N 437.971 5.030 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCn3c(cc4ccccc43)C2)cc1 463536583 PNVDCAHNZSBMDO-UHFFFAOYSA-N 438.487 5.362 30 20 IKED C[C@H](CC(F)(F)F)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 464465326 JADDLORDGFBGNX-AIFZWCOZSA-N 439.362 5.566 30 20 IKED Cc1cnc([C@@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C2CC2)s1 466120157 ZQCCRSIWCHYJCH-QFIPXVFZSA-N 432.549 5.369 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nc(C2CCCCC2)no1 467034988 QWAKZESKYOZBKF-MRXNPFEDSA-N 431.496 5.664 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)CCCSc3ccc(Cl)cc3)ccc21 469953984 SLHYCUBQCRZTRE-UHFFFAOYSA-N 441.984 5.434 30 20 IKED CC(C)n1c([C@H]2CCCN2CCC(=O)Nc2sc3c(c2C#N)CCC3)nc2ccccc21 471016785 BUJBMIWVSJZJNI-OAQYLSRUSA-N 447.608 5.205 30 20 IKED C=CCN(C(=O)c1nn(-c2ccccc2)cc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 471351131 TUOURJKRPDOTHD-UHFFFAOYSA-N 445.504 5.045 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3cccs3)C2)cc1Cl 473780716 WEJZCWHAVUDGRH-TZIWHRDSSA-N 437.952 5.662 30 20 IKED C=C(C)COc1cc(CN[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)ccc1OC 475632604 DQYQVCQCJQCZKP-SFHVURJKSA-N 429.866 5.146 30 20 IKED CCCC(C#N)(CCC)NC(=O)Cc1csc(-c2cc(Br)cs2)n1 475735398 SMCKHQUJJPWNJH-UHFFFAOYSA-N 426.405 5.155 30 20 IKED N#CC[C@@H](CC(=O)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1)c1ccccc1 476476677 POYXQQUIDKVLKC-OFNKIYASSA-N 434.584 5.376 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)n2)cc1 477850378 UNEJSXVDQDTTDS-NRFANRHFSA-N 447.479 5.231 30 20 IKED C=C(C)COc1cc(CNCc2cc(-c3c(OC)ccc4ccccc34)no2)ccc1OC 478276341 QICWNWGXYQHTKV-UHFFFAOYSA-N 444.531 5.757 30 20 IKED C=C(C)C[C@H](C)C(=O)N1Cc2cc(Br)c(NC(=O)[C@H](C)CC(=C)C)cc2C1 480827949 NYUYWDDFHKIEAA-CVEARBPZSA-N 433.390 5.434 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](c1ccccc1)c1ccc(OCC)cc1 481194130 ADOINQNTIYNEKE-VWLOTQADSA-N 434.536 5.048 30 20 IKED CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481629911 SRVDRXSGAIKTOL-NRFANRHFSA-N 435.524 5.879 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1nccc2ccccc12 483213249 AHZHUNWLOBTNJV-FQEVSTJZSA-N 443.846 6.079 30 20 IKED Cc1ccc(C(=O)CCCC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 485651872 AWLIZOIBEXJQFQ-UHFFFAOYSA-N 425.488 5.111 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@H]3CCC[C@H](c4ccccc4)C3)ccc21 487234135 IEFYGPUAKQKWPG-UNMCSNQZSA-N 430.552 5.117 30 20 IKED Cc1cc(C)c(NC(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)c(C)n1 488292495 IMPISWFTCISUHX-UHFFFAOYSA-N 434.565 5.598 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1SCC(=O)N[C@H](c1ccccc1)c1cccs1 488800679 OGHGLXIRIAMJJP-GOSISDBHSA-N 433.480 5.031 30 20 IKED C=C(C)Cn1c(S[C@@H](C(=O)Nc2cccc(C)c2C)C(C)C)nnc1-c1ccncc1 489442738 VGMLKBYGPUXYRR-OAQYLSRUSA-N 435.597 5.288 30 20 IKED CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1cc(F)c(OC(F)F)cc1F 491271986 PZVWIRULDANRHE-UHFFFAOYSA-N 426.288 5.129 30 20 IKED CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 498001247 JXGXFTVPQHBZJT-CTNGQTDRSA-N 448.567 5.208 30 20 IKED C[C@H](NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1ccccc1C(F)(F)F 500950367 BMVZKTJMRVPDEV-NSHDSACASA-N 445.338 5.540 30 20 IKED CSc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)ccc1NC(C)=O 510250040 COUSABSPMYUNFE-UHFFFAOYSA-N 431.517 5.592 30 20 IKED CC(C)Oc1ccc([C@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 511315927 QEFPBOUZPUDKAJ-FQEVSTJZSA-N 443.547 6.002 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C 512357791 YRXJNXVMQOYQPG-ULQDDVLXSA-N 439.943 5.021 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(C(=O)Nc4ccccc4)c3)n2)cc1 513620275 RQTRGWKXYQNBNV-QFIPXVFZSA-N 437.524 5.861 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2cccc3cccnc23)cc1)c1nc2ccccc2n1C(F)F 513660298 GYJDQSKGUGPFLR-HXUWFJFHSA-N 438.437 6.137 30 20 IKED N#Cc1ccccc1NC(=O)CCSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 514892268 QULGZUGONRWOQV-UHFFFAOYSA-N 443.507 5.066 30 20 IKED C=CCn1c(SCC(=O)c2ccnc(C(F)(F)F)c2)nnc1-c1cccc(Cl)c1 515698752 TUSGQARRQOZHNC-UHFFFAOYSA-N 438.862 5.173 30 20 IKED CN1C(=O)CCc2cc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)ccc21 517080024 MSHKFGBEXOYETH-UHFFFAOYSA-N 427.529 5.012 30 20 IKED Cc1ccc2c(c1)CC[C@@H]2NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 517847212 STZYFTGEQVHNJR-QFIPXVFZSA-N 445.906 5.055 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)cc1 518177916 SYANASIPPJSJDY-UHFFFAOYSA-N 429.307 5.138 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 518751922 ACUZSAFJILMHMM-KBXCAEBGSA-N 431.508 5.881 30 20 IKED N#C[C@@H](C(=O)c1cc(Br)cs1)c1nc(-c2c(F)cccc2F)cs1 520088461 VQAVQEYZMYZTNB-VIFPVBQESA-N 425.279 5.402 30 20 IKED N#Cc1ccccc1COc1cccc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 520944634 DAMCLQFWNBDLHJ-HHHXNRCGSA-N 426.516 5.149 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3ccccc3)nc2O)cc1Cl 521474873 FEDDLTCRZZRXFQ-QFIPXVFZSA-N 439.902 6.015 30 20 IKED Cc1ccccc1-n1c(C)nnc1SCC(=O)Nc1ccccc1S[C@H](C)CC#N 521719399 HACINBWWYTWJAI-MRXNPFEDSA-N 437.594 5.009 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-c2ccsc2)nc1C 523183883 VCPOBYACAWUQHW-UHFFFAOYSA-N 426.501 5.738 30 20 IKED C[C@H](c1ccccc1)N1CCC(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 523812176 JFEAAPXFSNWSMQ-HXUWFJFHSA-N 425.532 5.306 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(O)nc4ccc(F)cc34)cc2Cl)c1 524113602 YOFTYKKJDXFBIJ-UHFFFAOYSA-N 447.853 5.436 30 20 IKED CCC[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccccc1 524427803 HWCSXUUIAOLXQV-RUZDIDTESA-N 441.531 5.042 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)N[C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 524657099 FPZUGEAIVMHKTI-RUZDIDTESA-N 445.950 5.554 30 20 IKED COc1ccc(-c2nc(CSCCOc3ccc(C#N)cc3OC)cs2)c(OC)c1 525405245 BYHFRYCHIDRQIV-UHFFFAOYSA-N 442.562 5.020 30 20 IKED CCN(C(=O)[C@H](CCOC)Cc1cccc(Br)c1)[C@@H](C)c1ccc(C#N)cc1 525474843 AESGKYQSXLIKHP-LAUBAEHRSA-N 443.385 5.126 30 20 IKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)Nc1cccc(-c2cccs2)c1 525861105 ZMZWQATTZSAIIC-UHFFFAOYSA-N 440.484 5.051 30 20 IKED CC(C)(C)[S@@](=O)Cc1cccc(NCc2cccc(OCc3cccc(C#N)c3)c2)c1 532897450 IXTBRBBVGOHFJO-HKBQPEDESA-N 432.589 5.797 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC([C@H](O)C(F)(F)F)CC1)c1ccc(C(F)(F)F)cc1 533547091 GQCORDKRSCCKKG-SJORKVTESA-N 438.412 5.058 30 20 IKED COc1ccc([C@@H](NCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C2CC2)cc1 537291111 TXLONIGEHVVOKH-MHZLTWQESA-N 428.532 5.395 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nn1-c1ccc(F)cc1 537476493 ARUFABZTVYEKIW-OAHLLOKOSA-N 438.434 5.212 30 20 IKED CCc1cc(O)nc(-c2cccc(NC(=O)c3ccccc3Oc3ccccc3C#N)c2)n1 539777761 AJUFNQMHUDAMKN-UHFFFAOYSA-N 436.471 5.328 30 20 IKED Cn1cc(CN2CCC[C@@H]2c2ccc(Br)s2)c(-c2ccc(C#N)cc2)n1 542483553 DBKFKONJBJHVBX-QGZVFWFLSA-N 427.371 5.120 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NCc2nc(-c3ccc(C(F)(F)F)cc3)no2)n1 542934084 BCWPJEFAZLCDNA-UHFFFAOYSA-N 444.804 5.078 30 20 IKED N#Cc1ccc(CN(C(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)C2CC2)cc1 543349459 LYDLUCDCPFTZAF-QFIPXVFZSA-N 446.551 5.572 30 20 IKED N#CC1(c2ccccn2)CCN(Cc2nc(-c3cc(Cl)ccc3Cl)cs2)CC1 548792832 VLPIIQRUAKJWKA-UHFFFAOYSA-N 429.376 5.569 30 20 IKED Cc1ccc(Cc2ccccn2)cc1NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 558512119 SVHUOLMXJPCJAR-UHFFFAOYSA-N 435.487 5.684 30 20 IKED C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 561757754 IMDQMQDIBGMGBY-MRXNPFEDSA-N 447.476 5.022 30 20 IKED CN(C[C@@H]1OCCc2ccccc21)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 567020278 LXSUJTDIVPJGDH-DEOSSOPVSA-N 432.907 5.390 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 570537944 RHDHQWZCCMYVJB-AWEZNQCLSA-N 434.392 6.584 30 20 IKED COc1cccc(C2(F)CCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)CC2)c1 573647129 GYGGCMTZMVYEFQ-UHFFFAOYSA-N 446.482 5.247 30 20 IKED CN(C)c1cccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1 574123554 FSCWWSODANBMAZ-XMMPIXPASA-N 427.508 5.181 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@@H](c3ccc(F)cc3)C(F)(F)F)cc2)ccn1 578179846 DHIHVKADAKLBTD-IBGZPJMESA-N 430.361 5.310 30 20 IKED C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC(n2c(CC)nc3ccccc32)CC1 582873775 XBOCAWNDWCJPFI-UHFFFAOYSA-N 430.556 5.095 30 20 IKED C[C@H](NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1cccc(C#N)c1 585745461 YFHZKFCGENNJBN-YCRPNKLZSA-N 431.458 5.105 30 20 IKED Cc1nc(CSc2ccc(C(=O)Nc3sc4c(c3C#N)CCCCC4)cc2)cs1 591589443 PKAYRBCADSEMMT-UHFFFAOYSA-N 439.631 6.198 30 20 IKED C=CCn1c(SCc2c(C(=O)OC)sc3cccc(F)c23)nnc1-c1ccco1 600858920 XDWBTOAXMHZFEI-UHFFFAOYSA-N 429.498 5.157 30 20 IKED CCCc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cnn1Cc1ccccc1 603764711 NXWNCTFVTPKXLK-UHFFFAOYSA-N 437.503 5.195 30 20 IKED Cc1ccccc1CN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C1CC1 608994553 MPLJPPUYPFNBBY-UHFFFAOYSA-N 425.532 5.837 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc3c(c2)OCCCO3)cc1Cl 608994590 NPOJMEWSUFUBPU-NRFANRHFSA-N 447.922 5.478 30 20 IKED COc1cc(Cl)c(S(=O)(=O)Nc2ccccc2SC[C@H](C)C#N)cc1Cl 609379134 UNPQMRGJEXOCQH-LLVKDONJSA-N 431.366 5.055 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(CN2CCCCCC2)cc1 609435342 HOJYQDLXWMSELA-HXUWFJFHSA-N 436.625 5.779 30 20 IKED COc1cc(CN2CCCC[C@H]2c2noc(C3CC3)n2)ccc1OCc1cccc(C#N)c1 609739422 HKQVYANAZZFDEU-QFIPXVFZSA-N 444.535 5.133 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cccc(Oc4nccs4)c3)c2)c1 609906792 SBDJWJKXFZZHFX-UHFFFAOYSA-N 440.484 5.312 30 20 IKED C[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609941939 QYFKQJFVTAUSQF-MRXNPFEDSA-N 433.895 5.162 30 20 IKED CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 610106084 MTMBGMNQOUMATO-INIZCTEOSA-N 436.508 5.404 30 20 IKED CN(C(=O)c1cc2ccccc2n1CC#N)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 611452520 ZMGFQOXVSPYSPR-TZIWHRDSSA-N 425.454 5.592 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3Cc4cccc(Br)c4C3)c2)cc1 613768994 BNOYXEMDQSTUBL-UHFFFAOYSA-N 434.293 5.661 30 20 IKED Cc1nc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)sc1Cc1c(F)cccc1F 618505628 CHMWJNMBNFSARB-UHFFFAOYSA-N 438.286 5.751 30 20 IKED COc1cc([C@H](C)NC(=O)N[C@H]2CCc3cc(C#N)ccc32)ccc1OCc1ccccc1 618808387 WKBBUVNJLHAHFQ-UUOWRZLLSA-N 441.531 5.194 30 20 IKED CCOc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(F)(F)F)c1 620335967 NOQXXKWUJTURMW-UHFFFAOYSA-N 445.281 6.394 30 20 IKED CCc1nc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)nn1-c1c(Cl)cccc1Cl 623584349 PJEMKVRXODXOTC-CQSZACIVSA-N 436.302 5.175 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ncc(-c2ccccc2)o1 623650077 RRUJTMBYAWCXMK-UHFFFAOYSA-N 444.304 5.141 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)Cc1ccc(C(C)C)cc1C(C)C 671666220 UIWAGERHLHTHJN-UHFFFAOYSA-N 438.597 5.137 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2ccccc2NC(=O)c2cccs2)cc1OC 726516566 OLUANYDZIUMRDF-ACCUITESSA-N 434.517 5.226 30 20 IKED C=CCN(C(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2)C(C)C 727304237 HVLZJJXMATVRRA-UHFFFAOYSA-N 445.407 5.435 30 20 IKED N#Cc1cccc(COc2ccc(NCc3nc(-c4cccc(Cl)c4)no3)cc2F)c1 728200398 BMPDEYDELKJXHR-UHFFFAOYSA-N 434.858 5.592 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 728505547 LLBYCLVZLNDNFE-SFHVURJKSA-N 434.414 5.301 30 20 IKED Cc1csc([C@@H](C#N)C(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)n1 730684965 DIXVVUCVGHSRSU-HNAYVOBHSA-N 445.313 5.350 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1nc(-c3ccccc3)cs1)O[C@@H](C)C2 730686760 JFISKUJLKAITDI-HGWQEYRNSA-N 444.556 5.512 30 20 IKED COc1ccccc1C[C@H](C)CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 730686977 KRLJWEBZTZWRNK-SIKLNZKXSA-N 442.515 5.404 30 20 IKED COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc2c1O[C@H](C)C2 730995851 VDHBPSVMKZNHPQ-GFCCVEGCSA-N 436.455 5.295 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2c(Cl)cccc2s1 731065726 MMUXDVGSZGGUGP-ZDUSSCGKSA-N 444.965 5.602 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1cc(Cl)ccc1Cl 733080993 JEWPUOHEOHCTMZ-UHFFFAOYSA-N 426.229 5.700 30 20 IKED COc1cc(C(=O)/C=C/c2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1SC(F)F 733084056 WGCPNFQAIFDZQS-VOTSOKGWSA-N 448.472 5.938 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OC 733634045 NGZAVZXEAKNCLR-SJLPKXTDSA-N 438.553 5.092 30 20 IKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC(Oc3ccc(F)cc3)CC2)c1=S 734476749 JIARTZROXHUKLV-UHFFFAOYSA-N 442.535 5.046 30 20 IKED CCO[C@@H](C)c1nc(COC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cs1 736818488 IHQLKSHDNSOJMI-AWEZNQCLSA-N 426.469 5.401 30 20 IKED COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3c(Cl)nc4ccccn34)c2)cc1 737446643 ZJDICHNKZIXTQY-JYRVWZFOSA-N 431.879 5.145 30 20 IKED CC(C)N(CCC#N)Cn1nc(Nc2ccc(Oc3ccccc3)cc2)sc1=S 739842012 SRNCEVCPWHBTTC-UHFFFAOYSA-N 425.583 5.792 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3c(Cl)cc(C(F)(F)F)cc3Cl)o2)c1 744783676 KGYYZIBSHCRRJL-UHFFFAOYSA-N 442.180 5.291 30 20 IKED C=CCOc1ccc(/C=C\C(=O)O[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc1OC 746140632 OHBNXPXXBHWTCO-KLQCNHIUSA-N 440.883 5.281 30 20 IKED COc1cccc(Cc2cnc(NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)s2)c1 746661107 WULKFDWUYYCMKX-UHFFFAOYSA-N 434.565 5.304 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc([N+](=O)[O-])c(O)c1)C(=O)c1ccccc1 748146249 GRLKNRWMKSOPQV-QNGOZBTKSA-N 444.487 5.330 30 20 IKED C[C@@H](OC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1nc(O)c2ccccc2n1 748236587 VQOQJWMNRRHRDL-OAHLLOKOSA-N 427.485 5.276 30 20 IKED Cn1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1-c1ccc(F)cc1 750396984 JEIBFZWVNWFPTA-HNNXBMFYSA-N 443.425 5.950 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Br)c1OC(F)F 750902249 JFHWCZWQEAACOV-ZZXKWVIFSA-N 433.195 5.624 30 20 IKED Sc1nnc(-c2cccc(Br)c2)n1N=Cc1cnc(-c2cccs2)s1 751522344 VQEVNPBATVSDKC-UHFFFAOYSA-N 448.396 5.064 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](Oc3ccccc3Cl)C2)cc1 752183169 CLSNVYAOCRATNP-FCHUYYIVSA-N 431.923 5.681 30 20 IKED Cc1cccc(CN(Cc2ccccn2)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 754437823 SKPDYJDGXGOSDB-NDEPHWFRSA-N 446.554 6.280 30 20 IKED Cc1oc(-c2ccccc2F)nc1C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F 764753450 PLBOAUYBVNPHOD-UHFFFAOYSA-N 435.242 5.117 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 766482014 NYOVAWLVMVULFT-AZUAARDMSA-N 437.565 5.068 30 20 IKED Cc1cc(Br)cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 766840594 KGTQVRRLCXGCRY-IBGZPJMESA-N 449.304 5.511 30 20 IKED C[C@@H](CC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccc(Br)cc1 769943850 BMGCFRATFWEKAJ-SWLSCSKDSA-N 432.268 5.564 30 20 IKED C[C@H](ON=C(N)c1ccc(NC(C)(C)C)cn1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 774773960 APLAFFYJIZSZJV-NSHDSACASA-N 449.342 5.047 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)c4cccnc34)n2)cc1 780327107 FAJYFNZBGPDSIK-KRWDZBQOSA-N 444.903 5.139 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@H](C)Sc1ccc(Br)cc1 780670606 MPQCTBPMPCQVDC-KBPBESRZSA-N 434.359 5.042 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ncc(C3CCCCC3)s2)ccc1OC 782640466 QKQTVZAEXGUVMQ-KRWDZBQOSA-N 428.558 5.202 30 20 IKED COc1cccc(C(=O)/C(=C\c2cccc(OCc3ccccc3C#N)c2)c2ncc[nH]2)c1 787170332 VXILJNPUIOIMPL-MFKUBSTISA-N 435.483 5.292 30 20 IKED C[C@H](CN(C)C(=S)Nc1ccc(C#N)c(Cl)c1)Oc1ccc(Cl)c(Cl)c1 787198588 OWDOWYTUQXSRRT-LLVKDONJSA-N 428.772 5.615 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@H](C#N)c1cnc2ccccc2n1 792115044 SFESVWQCYXGLMO-RHSMWYFYSA-N 448.935 5.436 30 20 IKED CC(C)(C(=O)NCc1ccc(OCC#N)cc1)c1csc(-c2c(F)cccc2Cl)n1 810336465 IRFZQJOOCQSZNU-UHFFFAOYSA-N 443.931 5.099 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1cn(C)nc1C(F)F)C(=O)c1ccccc1 812241172 DZQPUJZQNUUKHF-XSFVSMFZSA-N 437.490 5.388 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])cn2)cc1 812915615 FXRMYJXQKLVXAG-UHFFFAOYSA-N 429.219 5.213 30 20 IKED CC(C)(C#N)CCCCOC(=O)C1(Cc2ccc(F)cc2Br)CCOCC1 814596859 XGDNPVGYPUIOFZ-UHFFFAOYSA-N 440.353 5.191 30 20 IKED Cc1c(N=Cc2cc3ccccc3nc2O)cccc1C(=O)N1CCc2sccc2C1 912782431 RZZBSNKSECXAKX-UHFFFAOYSA-N 427.529 5.259 30 20 IKED C#CCN(CC(=O)Nc1c(C)cccc1C(C)C)CC(=O)Nc1c(C)cccc1C(C)C 914867012 QVGNFLGIVOHREP-UHFFFAOYSA-N 433.596 5.063 30 20 IKED CCOc1ccc(SCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 915103784 FFQNREXLCWHLBP-HNNXBMFYSA-N 436.480 5.682 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(CCc3ccc(O)cc3)CC2)cc1 915351897 DBERGPXFNGASEE-HHHXNRCGSA-N 439.559 5.924 30 20 IKED CCN(c1ccccc1)S(=O)(=O)c1ccc(NN=Cc2cccc(Cl)c2Cl)nc1 916355223 RFBRFHWWEANMEV-UHFFFAOYSA-N 449.363 5.050 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3ccc(OC)cc3)nc2C)cc1 916914486 LXOBYWPMIITXHG-OAQYLSRUSA-N 447.560 5.431 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(OCc3cccc(C)c3)c2)cc1Cl 916939425 RNZSSKNZJBSTSN-NRFANRHFSA-N 448.906 5.197 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3cc(Br)ccc3F)n2)cc1 916973411 XDABZHMFSATEHR-RCMYXZNBSA-N 441.325 5.910 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CSc3ccc(Cl)cc3C2=O)cs1 917559266 GRUSBVIVDMWTLW-OQLLNIDSSA-N 440.977 6.162 30 20 IKED N#Cc1cccc(COc2cccc(/C=C3\SC(=S)N(Cc4cccs4)C3=O)c2)c1 917643368 GFVVRAIGIPIVJI-MTJSOVHGSA-N 448.594 5.600 30 20 IKED CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 921112300 AAOJHVICQNFXAA-GOTSBHOMSA-N 448.567 5.253 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@H]4c4ccc(F)c(F)c4)CCC3)cc2)C1 1785805104 ZJBLIUSKXXVXKM-SFTDATJTSA-N 436.502 5.169 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc(C(F)(F)F)c3)CCC2)cc1 1785936014 HHUOWXXFPMVGHN-UHFFFAOYSA-N 447.432 5.142 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc[nH]c4nccc3-4)cc2)CCC1 1788458660 SDIALZCBXPCDGP-UHFFFAOYSA-N 430.552 5.255 30 20 IKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@]4(C)C[C@H]4C)CCC3)cc2)cc1C#N 1792168960 RRFYAOQOTKNEQD-DWXRJYCRSA-N 445.563 5.139 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c(-c3ccc(C)cc3)c1)C2 1792570131 QATOGOQDWIIKLS-NUNAXRQHSA-N 433.596 5.234 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccnc(C(C)(C)C)c2)n[nH]1 1816106513 CNGQQCCMSUCWGM-PZJWPPBQSA-N 449.599 5.177 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc(CCCCC)s2)n[nH]1 1821692241 DEUDBXYKKTUHCC-SJLPKXTDSA-N 443.617 5.117 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)cc2)CC1 1824143419 MNVXDGFUOPPUQC-QHCPKHFHSA-N 429.004 5.342 30 20 IKED CCC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)CCC1 1828475627 MRVRNHOEPCVEGM-OAQYLSRUSA-N 442.003 5.025 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSC2CCCC2)CC1 1828822594 ZNUYCAKHPJKXRS-DHIUTWEWSA-N 432.674 5.050 30 20 IKED CCCCC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1 1831464370 BYRCKVVFEKNINJ-DVECYGJZSA-N 441.591 5.147 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccccc2)C(C)C)CC1 1832024940 LHGYVUCZESBNGI-VPUSJEBWSA-N 436.640 5.240 30 20 IKED O=C(O)c1ccccc1/N=C1\C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc21 1857777120 LSFYNSOCESNSHP-QQTULTPQSA-N 425.271 5.359 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2)nc2cc(-c3ccccc3)sc2c1=O 13353304 LKOMPSIUWKNFCV-UHFFFAOYSA-N 433.558 5.042 30 20 IKED C=CCn1c(C)nnc1SCc1nc2ccccc2c(-c2ccccc2)c1C(=O)OC 17655116 OBLXGNMSBUBYIY-UHFFFAOYSA-N 430.533 5.067 30 20 IKED COc1ccc(-c2nnc(COC(=O)c3ccccc3Sc3ccccc3C#N)o2)cc1 18264334 HBEHCVYIHPZNLD-UHFFFAOYSA-N 443.484 5.125 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccccc2CC)cc1 22731418 OYZPPXISAOLHTE-UHFFFAOYSA-O 425.599 5.356 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2cccc3ncccc23)C(C)C)nnc1-c1ccco1 30714409 VKMSAHYGOZDPCX-HXUWFJFHSA-N 433.537 5.028 30 20 IKED N#CCCSc1ccccc1NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 78669082 QWIPPDNODDEKBX-UHFFFAOYSA-N 426.929 5.357 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cnn(-c2ccccc2)c1 303003807 YYUIXDSDFONVDG-UHFFFAOYSA-N 437.956 5.175 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)CC3CCC(c4ccccc4)CC3)CC2)c1 409668323 YICPRXDZMWPKCR-UHFFFAOYSA-N 429.564 5.099 30 20 IKED CCS[C@H](C)c1noc(CN(C)C(=O)c2ccccc2Sc2ccccc2C#N)n1 409684385 FMLFFGSYCGEVGO-OAHLLOKOSA-N 438.578 5.179 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)c1 409923164 OPXFLOFLMUDJPP-UHFFFAOYSA-N 441.381 5.359 30 20 IKED C[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1nc(Cc2ccccc2)no1 427219535 YUVKGAPHKDIWPE-QGZVFWFLSA-N 440.528 5.174 30 20 IKED CCc1ccc(-c2csc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)n2)s1 428336982 JYOPJQBEUDKLMP-UHFFFAOYSA-N 433.562 5.463 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2cccc(SCC#N)c2)cc1 429848184 FGRSTKLZWWFANJ-UHFFFAOYSA-N 435.936 5.485 30 20 IKED CCCn1ccnc1CCCN(C)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 430495801 FENRVLILVRTSPB-UHFFFAOYSA-N 436.943 5.315 30 20 IKED CN1CC[C@H](CNC(=O)N[C@H](CCCC#N)c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 431467632 ZNSAXJIDMVFQFA-UEVCKROQSA-N 442.966 5.206 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3nccn3CCc3ccccc3)c2)cc1 435128371 HAJNHUXZSPUQBM-UHFFFAOYSA-N 437.503 5.111 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1nc(-c2ccccc2)cs1 435884335 QSJXEKFHOWUGDZ-INIZCTEOSA-N 439.631 5.934 30 20 IKED C[C@H]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)[C@@H]1c1ccc(C(F)(F)F)cc1 438243291 ZZHOZUSGUXVJBO-HJPURHCSSA-N 443.469 5.296 30 20 IKED N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)CC1 442414391 DMBVVZHZFSZGGN-FQEVSTJZSA-N 439.346 5.011 30 20 IKED CC(C)n1cc(Br)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 442680154 GPZORACFIGDGAD-OAHLLOKOSA-N 448.773 6.098 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3[nH]ccc3-c3c(Cl)cccc3Cl)CC2)c1 442741266 MLXULHIBWXIHSN-UHFFFAOYSA-N 440.330 5.544 30 20 IKED N#Cc1cccc(-c2cc(C(=O)N3CCC[C@@H]3c3ncc(-c4ccc(Cl)cc4)[nH]3)on2)c1 447513400 VWPJEZLNMFZXGV-OAQYLSRUSA-N 443.894 5.234 30 20 IKED Cc1cccc(-n2ncc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)c2C(F)(F)F)c1 464416369 IBIYEHYJKZARKR-AWEZNQCLSA-N 438.331 5.103 30 20 IKED CC(C)c1noc(-c2ccccc2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)n1 464664022 AOBAYVYHEDBWGU-UHFFFAOYSA-N 425.448 5.171 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[C@H](C)C(=O)c2cccc(F)c2)cc1 469146986 XQKJTJGQCJJVJZ-INIZCTEOSA-N 432.451 5.346 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)S(=O)(=O)c1ccc(C#N)c(Cl)c1 469174388 ZGZHMGRXGOGUIW-AWEZNQCLSA-N 431.970 5.025 30 20 IKED O=C(c1ccc(F)cc1F)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469756432 GTBRDQGYJCBJSZ-MRXNPFEDSA-N 439.302 5.216 30 20 IKED Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1 470259833 UKUQNHWRIUGPHN-AHWVRZQESA-N 426.516 5.096 30 20 IKED CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 470619089 CPHWCABXXLBUPA-FQEVSTJZSA-N 431.458 5.526 30 20 IKED C=CCC[C@H](NC(=O)Nc1cccc(NC(=O)N(C)C)c1C)c1ccc(C(F)(F)F)cc1 471375484 YJNKRRXXJFNPIT-FQEVSTJZSA-N 448.489 5.936 30 20 IKED N#Cc1ccc(-c2nnc(CNc3ccccc3C(=O)Nc3ccc(Cl)cc3)o2)cc1 471617726 HPJDIYMDGQGEOQ-UHFFFAOYSA-N 429.867 5.126 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](CC(=O)OC)c1ccc(SC)cc1 475559748 PVEAENYEEZECKO-NRFANRHFSA-N 426.582 5.686 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@](C)(CO)Cc1ccccc1 483859338 MSCCNENIJNCPAD-AREMUKBSSA-N 429.520 5.022 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Sc1nc(C(F)(F)F)ccc1C#N 488731863 HHNYMZBTLQBOES-JTQLQIEISA-N 429.851 5.062 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1Cc2cc(Br)ccc2C[C@H]1C 499894664 GPTDDCLACFJCIJ-LSDHHAIUSA-N 444.398 5.680 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)c1ccccc1-c1ccccc1C#N)O[C@H](C)C2 502345005 WVTNXFNKKRKAFV-WSNNEZGNSA-N 438.527 5.233 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc(Cc3ccccc3)nc2C)cc1 508150470 WEKRDKLGPBXJHA-UHFFFAOYSA-N 431.561 5.109 30 20 IKED C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC(Oc2ccc(C)cc2)CC1 508467668 ZAMBKCNDHWXZSS-UHFFFAOYSA-N 425.536 5.036 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(OCC2CC2)CC1 508841376 QJZUAGXOJCZBGO-LJQANCHMSA-N 432.568 5.153 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccccc2)n1 509562309 XJDATZPUGPHLGV-OAQYLSRUSA-N 449.539 5.402 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2 512855993 KUCDMFKYEHIPMO-OBGWFSINSA-N 435.483 5.837 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 512856994 PEJXQPDPZGDFLW-UHFFFAOYSA-N 438.281 5.159 30 20 IKED Cc1cc(-c2cc(C(=O)N[C@@H](C)c3ccc(C#N)cc3)c3cnn(C(C)C)c3n2)c(C)s1 514532166 PCMRQXGPYQIWOI-INIZCTEOSA-N 443.576 5.720 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@H](C)c2ccc(F)c3ccccc23)n(Cc2ccco2)c1C 517199551 ZEQHQYKXIZOGNX-QGZVFWFLSA-N 444.510 5.200 30 20 IKED C=CCN(C(=O)Nc1ccc2c(c1)oc1ccccc12)[C@H](C)c1cccc(-n2cnnn2)c1 517529389 RHCCCAFKAJCXNY-QGZVFWFLSA-N 438.491 5.343 30 20 IKED N#Cc1cccc(COc2cccc(CN[C@@H](C(=O)Nc3ccccc3)c3ccccc3)c2)c1 518273913 OCELFDMJAKKZPM-MUUNZHRXSA-N 447.538 5.607 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)[C@@H](C)c1ccccc1Cl 518568986 PYQBSFVNJHHVOB-KRWDZBQOSA-N 447.922 5.471 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCCC[C@H]3c3ccccc3)cc2)c1 518750639 XQDSZBQPGJHKKN-LOSJGSFVSA-N 439.515 5.132 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)o1 519515330 COQQBLXAKTVOMC-CYBMUJFWSA-N 428.514 5.001 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)c1 520322939 KZRSSMJKXQYIIW-UHFFFAOYSA-N 447.922 5.652 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H](c3cccs3)N3CCCC3)cc2)cc1 520598114 SAYNRHSVSQAHNH-JOCHJYFZSA-N 432.549 5.371 30 20 IKED CN(C(=O)c1cccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c1)c1ccccc1 521554024 OJXONJPDIPJFJL-IBGZPJMESA-N 444.441 5.198 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 522573809 FKFCZNZEMATNFK-NRFANRHFSA-N 435.911 5.164 30 20 IKED Cc1ccnc2sc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)c(C)c12 524455258 MTDYAHZXYJXADA-UHFFFAOYSA-N 431.492 5.755 30 20 IKED Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 524565142 IZCKEFYGRFIKRX-NQIIRXRSSA-N 439.581 5.451 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 525243859 NKZTWBFAQJBCDG-UONOGXRCSA-N 426.383 6.165 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)C34C[C@@H]5C[C@H](C3)CC(C(F)(F)F)(C5)C4)s2)cc1 531194174 JEUJGOPOPYAUDJ-RGMRCXJASA-N 445.510 5.693 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1)c1ccccc1 533152297 PVASETDDGJBSMW-HXUWFJFHSA-N 441.959 5.113 30 20 IKED Cn1ccnc1[C@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccccc1 534142645 OGWPFUVOMJYTLP-HSZRJFAPSA-N 442.906 5.257 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2cc(C(N)=O)ccc2Cl)cc1Cl 536381151 DLJNXGMSKFTWAG-UHFFFAOYSA-N 426.259 5.009 30 20 IKED C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCc1ccc(-c2ccccc2C#N)cc1 539214461 LQPYBKOEWDCLIC-KRWDZBQOSA-N 437.465 5.751 30 20 IKED C=CCC[C@@H](NCc1nc(O)c2cc(OC)c(OC)cc2n1)c1ccc(C(F)(F)F)cc1 539334047 LAQGGXXOAFSCCU-QGZVFWFLSA-N 447.457 5.169 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)CCc2nnc(-c3cc4ccccc4o3)o2)cc1 540201133 YCOSGTDYGFZBEC-UHFFFAOYSA-N 448.482 5.270 30 20 IKED CCS[C@@H](C)c1noc(CN(C)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 541159181 WIOHDDJWSZMYPS-SJORKVTESA-N 449.580 5.325 30 20 IKED O=C(Nc1ccc(F)cc1OCC(F)(F)F)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 554877262 ZVPIXEPANLBGFS-CQSZACIVSA-N 428.348 5.353 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 555253521 JILNSOHEDBHMCB-HSZRJFAPSA-N 447.970 5.158 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(OCc4ccncc4)cc3)c2)cc1 555728410 OBIWTQHMKPKPEJ-UHFFFAOYSA-N 449.510 5.558 30 20 IKED COc1ccc(NC(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)c(C(F)(F)F)c1 558243408 BKJTUZHRVPTDRS-AWEZNQCLSA-N 428.279 5.417 30 20 IKED CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)c1ccc(C(C)(C)C)cc1 559029564 PWESCOAKFTYKHY-HSZRJFAPSA-N 435.568 5.119 30 20 IKED Cc1cc(SC2CCCCC2)ccc1NC(=O)C(=O)NC1(c2cccc(C#N)c2)CC1 560229920 JUMXQUZIVDAMLG-UHFFFAOYSA-N 433.577 5.036 30 20 IKED Cc1cc(C#N)cnc1C(=O)C(c1nc2ccccc2s1)c1nc2ccccc2s1 560348263 KOLOFGUTMHMQIG-UHFFFAOYSA-N 426.526 5.496 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)NC3(c4cccc(C#N)c4)CC3)c2)cc1 560841989 FNNMVOFDCKPTFZ-UHFFFAOYSA-N 438.527 5.078 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(Cl)c3OCC(F)F)o2)cc1 561630154 LGNYJXFIYCNEPY-UHFFFAOYSA-N 432.810 5.280 30 20 IKED Cc1sc(C2(NC(=O)[C@H](C#N)CCc3ccccc3)CCC2)nc1-c1ccccc1F 566700396 BTYDWRRTKGIROB-IBGZPJMESA-N 433.552 5.526 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3c(F)ccc(Br)c3F)cc2)ccn1 572895637 HFOYTTILDDTPQY-UHFFFAOYSA-N 430.208 5.039 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccc3c(Cl)cccc3n2)nnc1-c1ccco1 577545376 LCEIJGDBVGDRKK-UHFFFAOYSA-N 439.928 5.047 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCO[C@@H](c4ccc(Cl)cc4)C3)c2)c1 580236220 MPCTXNROJIFUCE-XMMPIXPASA-N 432.907 5.004 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccccc4Cl)C3)cc2)ccn1 580744240 IDQCVMCUDYLOMR-JOCHJYFZSA-N 434.883 5.004 30 20 IKED O=C(CCc1ccccc1OC(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 589320832 REJUZNFGIFTLFH-VXGBXAGGSA-N 437.302 5.107 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3cc(Br)c4ccccc4c3)CC2)c1 590219229 TUTFRPHWMXRJQH-UHFFFAOYSA-N 435.321 5.158 30 20 IKED N#Cc1c(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)sc2c1CCCC2 600844278 NSPCYHPULXTVDG-UHFFFAOYSA-N 441.965 5.718 30 20 IKED CCOc1ccc(C(=O)CCC(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cc1OCC 603469531 RUFAZIIEXIQWJW-QGZVFWFLSA-N 449.334 5.135 30 20 IKED Cc1nc(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)ccc1C#N 603565608 MZMVEYGLTXLJJR-UHFFFAOYSA-N 441.922 5.040 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CN2CCC(c3c(C)[nH]c4ccccc34)CC2)cc1 603869746 GQZXNVCPSMODTD-UHFFFAOYSA-N 444.579 5.001 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(c1cccc(C(F)(F)F)c1)[C@@H](C)C1CC1 603965013 SXUYKEWWXWNRED-HNNXBMFYSA-N 431.458 5.059 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 608897008 JWVMINBJEQXCGF-UHFFFAOYSA-N 439.437 5.989 30 20 IKED Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C 608915772 BEUORGDKGVJUHE-FQEVSTJZSA-N 432.568 5.324 30 20 IKED CCOc1ccc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1OCC 609028553 DHHOLHZTVXMRJY-HSZRJFAPSA-N 430.504 5.058 30 20 IKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3cc4ccccc4n3CC#N)c2)c1 609165203 PRDWDRQQTGOMJR-UHFFFAOYSA-N 437.503 5.047 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NC[C@@H]3CCN(c4ccc(F)cc4)C3)c2)cc1 609208747 IZSPBIFWZLUJOA-IBGZPJMESA-N 430.483 5.138 30 20 IKED COc1cc(C[S@](=O)Cc2csc(C(C)C)n2)ccc1OCc1cccc(C#N)c1 609742936 BZOXUOWGVNDEES-PMERELPUSA-N 440.590 5.175 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCCC[C@H]3c3noc(C4CC4)n3)cc2)cc1 609975546 QNLUERQXDRHRGF-QFIPXVFZSA-N 428.492 5.173 30 20 IKED CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 610093791 SDKNSUGIJOHDOE-QFIPXVFZSA-N 434.927 6.404 30 20 IKED C=CCN(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 642177636 XHZYBYILEUTVAZ-UHFFFAOYSA-N 446.981 5.031 30 20 IKED CN(C)c1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2ccccc2n1 681352427 PHVHLFXCPKZCNV-HNNXBMFYSA-N 440.450 5.419 30 20 IKED Sc1nnc(-c2cccs2)n1N=Cc1ccc(-c2cccc(Br)c2)o1 725794244 RYDFRLFVTPTFRZ-UHFFFAOYSA-N 431.340 5.200 30 20 IKED COc1ccc(C(=O)/C=C/c2c(Cl)nc(Cl)n2-c2ccccc2)cc1NC(C)=O 726427017 BMPFVFXOOMKTHM-MDZDMXLPSA-N 430.291 5.042 30 20 IKED CCCN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@@H](C)c1ccccc1Br 726474608 KCXMUBPIHSLSLS-ZDUSSCGKSA-N 436.806 6.144 30 20 IKED O=C(O)C(=O)/C(=C\c1cccc(OCc2ccccc2F)c1)c1ccc2ccccc2n1 728157111 UUHOFEOBVLLUPC-QNGOZBTKSA-N 427.431 5.147 30 20 IKED CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 728269118 ACFKHTKATHXPHF-UHFFFAOYSA-N 440.425 5.195 30 20 IKED COc1ccc2oc(C(C)=NNc3ccc(S(=O)(=O)Nc4ccccc4)cc3)c(C)c2c1 729145258 MKNNYSDIMHORAM-UHFFFAOYSA-N 449.532 5.387 30 20 IKED COc1c(O)cccc1/C=C1\CCc2nc(-c3ccccc3Br)sc2C1=O 730435616 DXNGLYJQHFICOF-VAWYXSNFSA-N 442.334 5.499 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(C3CCC3)C2=O)c1 730463364 WQJKWKMHJUVHBA-AJHBCDHZSA-N 441.622 5.307 30 20 IKED COc1ccc(-c2ccc(C(=O)Nc3cc(C#N)ccc3OC(F)F)c(F)c2)c(F)c1 730492702 BGPZTMPWHYFAKX-UHFFFAOYSA-N 430.357 5.366 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccccc2)nc1 731073548 XOXIJPRKZFNGLE-QGZVFWFLSA-N 447.516 5.064 30 20 IKED O=C(/C=C\c1cccc(OCCCc2ccccc2)c1)c1ccc(C(F)(F)F)nc1O 731936585 BGANFPJLJWJQOF-QBFSEMIESA-N 427.422 5.714 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cc(Cl)nc(N4CCCC4)c3)c2)cc1 732935352 IPIJWPCVGFEXMO-UHFFFAOYSA-N 446.938 5.233 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)c1 733842491 XAWIYDZOGPBKAX-MRXNPFEDSA-N 442.491 5.015 30 20 IKED C[C@H](COc1cccc(C#N)c1)OC(=O)c1csc(-c2cc(Br)cs2)n1 733863628 OGCNUYUUXLNIIT-LLVKDONJSA-N 449.351 5.130 30 20 IKED COc1ccc2[nH]cc(C(=O)/C=C\c3csc(N(C(C)=O)c4ccc(C)cc4)n3)c2c1 734307607 PQABWKIPXUWTOD-WDZFZDKYSA-N 431.517 5.522 30 20 IKED COCCOc1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1Cl 740444246 NXWWVLIMJDIJEG-UHFFFAOYSA-N 441.940 5.287 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cc(C)c(F)c(C)c2)cs1 741468937 YVFNCFZRVKDPII-RMKNXTFCSA-N 428.916 6.133 30 20 IKED CCc1ccc(-c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3cc(C)c(Cl)cc3OC)o2)cc1 744028592 KQAZZDLSRBYUAQ-QGZVFWFLSA-N 436.895 5.441 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(CCC)Cc2ccccc2F)c1=S 746037689 IMXQSYJMIMDTII-UHFFFAOYSA-N 426.561 5.284 30 20 IKED C[C@@H](OC(=O)CCCCOc1cccc(C#N)c1)c1nc(-c2ccc(Cl)cc2)no1 746077634 VMOIMWGOQWGXCL-OAHLLOKOSA-N 425.872 5.115 30 20 IKED CCCCCC(=O)NC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 748443603 OVWRZGBJHJVZCL-DEOSSOPVSA-N 432.568 5.035 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2ccccc2COc2ccccc2)cc1C#N 752205022 HJNOMVHIEKIYPY-UHFFFAOYSA-N 430.464 5.350 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C(\C)c3ccccc3OC(F)F)n2)cc1 753395445 IVBMPGFEJOTFSV-BJRSVTDJSA-N 440.471 5.700 30 20 IKED Cc1cc(/C=C/C(=O)c2ccc3c(c2)CCC(=O)N3C)cc(C)c1OCc1ccccn1 754689664 KNFNDTVBJHRJDI-YRNVUSSQSA-N 426.516 5.083 30 20 IKED Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(Br)n1 755617271 ITYUJLSSKGARDZ-UHFFFAOYSA-N 442.700 5.722 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(F)cccc2F)cc1 757150833 LNVFLSCYVWENOW-OAHLLOKOSA-N 436.414 5.121 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](c2ccc(F)cc2F)C(C)(C)C)ccc1OC 758773828 HBKRKNRCOSZKED-HTAPYJJXSA-N 445.510 5.241 30 20 IKED C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12)c1cccc(C(=O)c2ccccc2)c1 762024361 JFIHIUPTCCDQQX-CLOONOSVSA-N 446.506 5.522 30 20 IKED N#CCOc1cccc(Cc2nc(-c3cc(Br)cc(C(F)(F)F)c3)no2)c1 762332872 KJMXRMNAOKKOKR-UHFFFAOYSA-N 438.203 5.011 30 20 IKED N#Cc1cccc(COc2cccc(/C=C/C(=O)c3cc(Br)ncc3F)c2)c1 762428383 YSTHMGGXBFOYPU-BQYQJAHWSA-N 437.268 5.330 30 20 IKED COCc1ccc(/C=C2\CC(O)(C(F)(F)F)C/C(=C\c3ccc(COC)cc3)C2=O)cc1 764432057 HUKUFADVZTXJOX-XHQRYOPUSA-N 446.465 5.103 30 20 IKED C#CCCN(CC(F)(F)F)C(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C 767205903 MYCLPVOMPRZCOH-UHFFFAOYSA-N 448.514 5.385 30 20 IKED N#C[C@@H](NC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1cccc(C(F)(F)F)c1 768175718 UQZHGOACKQCHBW-JOCHJYFZSA-N 432.405 5.310 30 20 IKED CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)OCCCCC(C)(C)C#N 768608841 PPYBMSGOHBACAH-UHFFFAOYSA-N 447.329 5.196 30 20 IKED CC(C)N(C[C@@H](O)COc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 770177986 IYOJMISQMIYGFK-RSXGOPAZSA-N 443.547 5.024 30 20 IKED COc1cc(NCc2cn(CCC#N)nc2-c2ccccc2)ccc1NC(=O)OC(C)(C)C 770528683 VRIAHHSAEDOOCH-UHFFFAOYSA-N 447.539 5.431 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H]2CCCOc3cc(Br)ccc32)ccc1OC 772977561 AXDZRHUMGOWMON-MJGOQNOKSA-N 445.357 5.142 30 20 IKED C[C@H](Cc1ccccc1)n1cccc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 773767256 APCGILMJQWYMCL-QAPCUYQASA-N 440.330 5.560 30 20 IKED C=CCn1c(SCc2c(C(F)(F)F)nn(C)c2Cl)nnc1-c1ccccc1C 782187493 BWEGSIMISROVCN-UHFFFAOYSA-N 427.883 5.138 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(C)c(Br)c3)n2)cc1 784499381 OFCPCPHQKDHHIA-QGZVFWFLSA-N 441.350 5.309 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(Br)s1)c1ccc(Cl)cc1Cl 787050926 GLLICERHLPKQKB-KWQFWETISA-N 446.153 5.017 30 20 IKED C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@H]1C(=O)[C@@H](C#N)c1nccc2ccccc12 792103095 RKBKYFGIQSNPCG-WJXFIBLPSA-N 437.543 5.195 30 20 IKED COc1ccccc1-c1ncc(/C=C2\CCc3nc(-c4ccccc4)sc3C2=O)cn1 792883608 FRTNIUHEDCZBCS-QGOAFFKASA-N 425.513 5.488 30 20 IKED C[C@@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 796040355 XHHAQOWORCOZIX-LLVKDONJSA-N 439.726 5.632 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(F)cc2OCCC(F)(F)F)c1 800593191 ARMXLQHBBIZLRU-INIZCTEOSA-N 439.409 5.160 30 20 IKED O=C(COc1ccc(C2SCCCS2)cc1)N(O)Cc1cccc2ccccc12 901371246 SSMJDDLHYPRLAV-UHFFFAOYSA-N 425.575 5.505 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc(C(=O)NC)cc1)C(=O)c1ccccc1 912859350 NEHRZRUJUKRJSF-MOHJPFBDSA-N 440.543 5.076 30 20 IKED Cc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cs2)o1 915105239 WRJMBIDSDJDNLK-CYBMUJFWSA-N 447.463 5.759 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(Cl)c3c(c2)OCCO3)cc1 915350109 HFTGZRVBGFJRKH-FQEVSTJZSA-N 433.895 5.088 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1 915351842 CKYPZUFZAUKAQU-URLMMPGGSA-N 443.550 6.522 30 20 IKED CCOc1cc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)ccc1O 916272629 FSKWTUWWFVRVEZ-UHFFFAOYSA-N 439.924 5.073 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 916906567 DTWYUWDTEBKTCG-BQFCYCMXSA-N 430.426 5.495 30 20 IKED COc1cc(/C=C2/CSc3ccccc3C2=O)cc(Br)c1OC(F)F 917146126 YFTADVRPDDFDJM-WDZFZDKYSA-N 427.266 5.431 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CSc3ccc(Cl)cc3C2=O)cs1 917560012 PQQHRRNYDGLIMR-JYRVWZFOSA-N 444.940 5.992 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 918421354 CRPMWCRMJZDXSH-BJKOFHAPSA-N 443.934 5.298 30 20 IKED COc1ccc2c(c1)CCC[C@H]2CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920140824 BSGOEBJZZRFMHQ-SIKLNZKXSA-N 427.529 5.377 30 20 IKED COc1ccc2cc(/C=C\C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)ccc2c1 920143474 WSLVBWHPSVGFCS-AECIHPRVSA-N 435.508 5.733 30 20 IKED COc1ccc(-c2nc(SCc3csc(-c4ccc(C)o4)n3)nc(O)c2C#N)cc1 920257248 ZPMNQPQHZCRPOU-UHFFFAOYSA-N 436.518 5.047 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3nc4ccccn4c3C)CCC2)cc1 1789626212 MNCNZYGADQDCST-UHFFFAOYSA-N 444.579 5.383 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cc4c(ccc5ncccc54)s3)cc2)CCC1 1789998812 UOCYGSGDBIQYHD-UHFFFAOYSA-N 441.556 5.773 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5sccc5[nH]4)CCC3)cc2)cc1 1790290245 NXAHVCWUBXNDRG-UHFFFAOYSA-N 440.528 5.163 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4c[nH]c5ccccc45)cc3)CCC2)c1 1790396613 XJXHHGXTQWZDGL-UHFFFAOYSA-N 448.526 5.030 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4c(Cl)cccc34)CCC2)cc1 1791584285 WKNWKFLPHITBOB-UHFFFAOYSA-N 433.939 5.373 30 20 IKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C2CC2)cc1)c1ccccc1 1800730199 KZMCOUUGQNNDFR-HVWQDESWSA-N 440.587 5.013 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cc(Cl)ccc1Cl 1801468744 AOSWGPOBVQZIMK-PLACYPQZSA-N 449.422 5.333 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C(C)=C/c2ccc(C)o2)[C@H]1c1cccnc1 1802500482 YETNZFIJNJIIBC-PPIOEHGWSA-N 449.595 5.085 30 20 IKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2)[C@@H](C)CC)[C@@H]1c1cccnc1 1806455002 ZWQAWBVRXDHVOR-QLJHZWSDSA-N 447.623 5.130 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2scnc2C2CC2)[nH]n1 1814442811 WGOJRHNEBRAFJX-KRWDZBQOSA-N 441.601 5.042 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3cccnc23)[nH]n1 1819305442 JEGXFDBEPCKORG-KNQAVFIVSA-N 443.551 5.032 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cccc(C)c3[nH]2)[nH]n1 1819554581 JMKPGVZSWVMCCG-OAQYLSRUSA-N 447.583 5.498 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(F)cccc2Cl)n[nH]1 1820431078 ZPYLRGIMLWLXAX-BEFAXECRSA-N 444.938 5.277 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@@H](C)c2ccccc2)n[nH]1 1822039315 UEDGZHNGMSQRQX-AUSIDOKSSA-N 434.584 5.364 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@]2(F)CCCC=C2F)n[nH]1 1823592090 YGKNDAWCCNKISE-SBUREZEXSA-N 434.531 5.140 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)c(C)c2)CC1 1824143051 DTVFEEDVVBHOEZ-DEOSSOPVSA-N 426.576 5.136 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3cccnc23)CC1 1828827950 ADCIBTADJVOKDT-NOZRDPDXSA-N 445.607 5.237 30 20 IKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2)CC1 1829997561 IMGGCRJHCJFBTJ-JOCHJYFZSA-N 448.529 5.132 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc3ccccc3c2)CC1 1831369631 CHZMQSCBSHMQRY-LVXARBLLSA-N 432.608 5.214 30 20 IKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(C(C)C)cc2)CC1 1831604485 RADRSDZYUPMRSD-SANMLTNESA-N 436.640 5.166 30 20 IKED CSc1nc(C2CC2)cc(C(=O)OCc2ncc(-c3ccc(Cl)cc3)o2)c1C#N 10711957 NGAYIJZDBQFSMU-UHFFFAOYSA-N 425.897 5.218 30 20 IKED C=CCNc1nnc(SCc2csc(N(C(C)=O)c3c(C)cc(C)cc3C)n2)s1 11393308 HEVKPFGEBALUIS-UHFFFAOYSA-N 445.639 5.495 30 20 IKED CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](C)Nc1ccc(CC#N)cc1 15499494 RQLRLAKHPIBMSZ-INIZCTEOSA-N 433.533 5.097 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)nnc1-c1ccccc1 21754300 DFXOKMOBRAFIFG-MRXNPFEDSA-N 446.532 5.199 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(F)ccc1F)=C(/S)Nc1c(C)cccc1C 22693908 HIJUISHCHVDUAU-UHFFFAOYSA-O 425.524 5.482 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(C)s2)=C(\S)Nc2cccc(Br)c2)c1 22732618 WNIDDZQHKCJLRL-UHFFFAOYSA-O 446.415 5.466 30 20 IKED Cc1nc(-c2ccccc2)ccc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 24466501 NZHXPRVQRAYGEE-UHFFFAOYSA-N 443.557 5.325 30 20 IKED Cc1ccc(C)c(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c1 26047596 ALJMUZPQSBGTNW-LJQANCHMSA-N 444.585 5.581 30 20 IKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2cccc(C)c2)c1C 28695878 IEMAOPOTUPFCLV-UHFFFAOYSA-O 434.585 5.098 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCC3CCN(Cc4cccs4)CC3)cc2)cc1 61786083 MMJDJBKLZUMYHI-UHFFFAOYSA-N 446.576 5.446 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Br)cc1Br 63388934 XPCLMFUDECQTOE-UHFFFAOYSA-N 449.146 5.303 30 20 IKED COc1ccc(-c2nnc(SCc3ccc(-c4ccccc4C#N)cc3)[nH]2)c(OC)c1 109197115 DQUINUXIUWPYFT-UHFFFAOYSA-N 428.517 5.320 30 20 IKED N#C[C@H](C(=O)CCCOc1ccccc1Br)c1nc(-c2ccncc2)cs1 195662672 URAQLKTWLDALPT-OAHLLOKOSA-N 442.338 5.003 30 20 IKED N#Cc1ccc(OCC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)cc1 301198794 PMABVGDBWMYVPW-UHFFFAOYSA-N 443.503 5.433 30 20 IKED Cc1ccc([C@H](Nc2ccc3cc(C#N)ccc3n2)c2cccc(S(C)(=O)=O)c2)cc1 301977965 NLVWGHBMGJBALT-VWLOTQADSA-N 427.529 5.020 30 20 IKED CC(C)(CCC(=O)Nc1ccc(C#N)cc1Cl)C(=O)Nc1ccc(C#N)cc1Cl 430360287 XRNVCVWGAWAOOY-UHFFFAOYSA-N 429.307 5.120 30 20 IKED CCN1CC[C@H](NC(=O)N[C@@H](CCCC#N)c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 431470180 KOELFWZXPVLWRG-VABKMULXSA-N 442.966 5.349 30 20 IKED COc1ccc([C@@H](C)NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1Br 431774646 FRPGBTANPSKOGW-BEFAXECRSA-N 430.346 5.253 30 20 IKED CN1CCC[C@@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)[C@@H]1c1cccs1 438058519 MACGPGDVLLYGSY-YADARESESA-N 446.576 5.617 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(F)c(C2CC2)c1)c1ccc(-c2cccc(C#N)c2)cc1 439836103 ZVFXHWDYKNRVGK-INIZCTEOSA-N 427.479 5.058 30 20 IKED CC(C)NC(=O)Nc1ccc(CNc2c(C#N)cnc3c(Br)cccc23)cc1 440655052 UPUUPWPODXNFOB-UHFFFAOYSA-N 438.329 5.011 30 20 IKED COc1cc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc(OC)c1OC(F)F 443878048 NDOMWKWKVKJGGC-UHFFFAOYSA-N 436.480 5.150 30 20 IKED C[C@H](NC(=O)C(=O)Nc1cccc(C(C)(F)F)c1)c1ccc(-c2cccc(C#N)c2)cc1 445135618 LMUAVBIVKKSJST-INIZCTEOSA-N 433.458 5.153 30 20 IKED N#Cc1ccccc1Oc1ccc(N2C(=O)CN(Cc3ccc(Cl)cc3)C2=O)cc1F 446153677 JXDRDOMEEOROQF-UHFFFAOYSA-N 435.842 5.112 30 20 IKED C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 460952745 QVWBSRJJDGUAAU-DENIHFKCSA-N 434.588 5.020 30 20 IKED CSc1cccc([C@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)c2cc(F)ccc2F)c1 465650558 ALPVDZFDQDFZGL-WNSKOXEYSA-N 437.515 5.708 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCO[C@H]2c2ccccc2)cc1Cl 466040017 PSLCSFUIOMAZPH-XRODADMRSA-N 445.950 5.895 30 20 IKED CC(C)CO[C@H](C)c1noc(CN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)n1 467611186 SIWAXNVRKMFQAN-QGZVFWFLSA-N 449.511 5.131 30 20 IKED CCn1nccc1C1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 468784393 BICDLVCWWIGTHC-UHFFFAOYSA-N 434.927 5.240 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCCC[C@@H]3CCc3ccccc3)ccc21 470532961 RFUWBFPICASSSX-XMMPIXPASA-N 444.579 5.289 30 20 IKED C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470546033 JQCNAFIWKFIBLO-FQEVSTJZSA-N 444.579 5.665 30 20 IKED COC(=O)c1nc([C@@H]2CCCN2Cc2cccc(OCc3ccccc3C#N)c2)sc1C 475341291 FGUFUKDRXAOEMK-QFIPXVFZSA-N 447.560 5.026 30 20 IKED C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(F)c(F)c1 477666786 MRWOVCKQWYBDHF-HSZRJFAPSA-N 447.441 5.001 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 479701660 DFNVHVSHVJIWFC-CQSZACIVSA-N 442.441 5.217 30 20 IKED C=CCC[C@@H](NC(=O)NCc1cccc(-c2nc(C(=O)OC)cs2)c1)c1ccccc1 479742017 HJABEBZSWZNOGW-HXUWFJFHSA-N 435.549 5.103 30 20 IKED CC(C)CN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H]1CCCc2cccnc21 481342947 SASFOQMUKVJRAH-DENIHFKCSA-N 436.625 5.450 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1ccc(F)cc1)C(F)(F)F 484854665 GLQXZWYAPMCJRH-ORAYPTAESA-N 425.451 5.052 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)cc1 487349062 AKLOEZSIFQNQFB-UHFFFAOYSA-N 430.357 5.769 30 20 IKED Cc1nc(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)[nH]c1-c1ccccc1 488262416 KRKKEDXWFZRMDI-UHFFFAOYSA-N 445.548 5.047 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1cccc(F)c1)C(C)(C)C 493924243 HAEPNYHLDIUEJK-QRWLVFNGSA-N 427.545 5.062 30 20 IKED N#CCN(C(=O)c1c2c(nc3ccccc13)/C(=C/c1c(F)cccc1Cl)CC2)C1CC1 495504391 UPOCNBKNWSLANZ-CCEZHUSRSA-N 431.898 5.642 30 20 IKED O=C(Nc1ncc(Cc2ccc(F)cc2)s1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 497159119 FKBRFCPPJZZFDI-UHFFFAOYSA-N 441.372 5.222 30 20 IKED Cc1cc(C(=O)Nc2ccc(Br)cc2C(F)(F)F)nn1-c1cccc(C#N)c1 504092812 OTJQOPYPJDAWBH-UHFFFAOYSA-N 449.230 5.086 30 20 IKED N#C[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(OCc2ccccc2)cc1 505337454 IQFADVNJJDUAKA-OAQYLSRUSA-N 445.569 5.374 30 20 IKED O=C(Nc1cccc(NCC(F)(F)F)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 505800193 AAODRIOBGXSAOZ-UHFFFAOYSA-N 446.326 5.257 30 20 IKED O=C([C@@H]1CCCC(F)(F)C1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 506010229 VCRDHEGVYRDORN-ABAIWWIYSA-N 445.350 5.450 30 20 IKED Cc1nc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nn1-c1ccccc1C(C)C 507024315 NYPOVCGBRHYQKP-IBGZPJMESA-N 427.533 5.313 30 20 IKED C=CCn1c(SC[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)nnc1-c1cccc(C)c1 508387357 OPCCMALWHYJBEW-LAUBAEHRSA-N 444.000 5.324 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)cc1 509248478 TZGKFESJELZNSO-UHFFFAOYSA-N 438.487 5.298 30 20 IKED CCCCNC(=O)c1ccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 510645625 NLZMTPBCVGEKLI-UHFFFAOYSA-N 442.519 5.202 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccc(Cl)cc4)c3)n2)cc1 512494150 NEGDMOQWXUYYLW-LJQANCHMSA-N 434.908 5.148 30 20 IKED C=C(C)CN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1cnn(C(C)C)c1 512547450 NOFFWEPPZKYFEU-UHFFFAOYSA-N 428.886 5.153 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)s2)cc1 512916258 HCJXCZKNHMWHLK-OAHLLOKOSA-N 435.524 5.047 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)nc2ccccc21 513665783 HZWVEBUJXDHAOZ-FQEVSTJZSA-N 437.528 5.003 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccccc2-n2cccn2)cc1 513988470 YWRVQSODCCYUAW-UHFFFAOYSA-N 425.467 5.117 30 20 IKED Cc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cs2)cc1 516713757 IXBAPOZIGSBZRK-GOSISDBHSA-N 426.526 5.604 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2ccc(O)cc2)Cc2ccco2)cc1 517114366 KMYJGWCRWNUQQD-UHFFFAOYSA-N 439.471 5.883 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccccc1Sc1ccccc1 517275362 DERAULDQZZPPEA-UHFFFAOYSA-N 429.545 5.087 30 20 IKED Cc1ccc(-c2cc(CSCC(=O)Nc3ccccc3S[C@@H](C)CC#N)on2)cc1 517461575 XFUVNQCNIUKAPL-KRWDZBQOSA-N 437.590 5.916 30 20 IKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1cccc(C(F)(F)F)c1 518151370 LQKSFISHFPDSAK-LJQANCHMSA-N 449.498 5.163 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)cc1 518192807 DTAYCTZTXPBQGH-SVBPBHIXSA-N 432.523 6.227 30 20 IKED CC(C)(C)c1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1[N+](=O)[O-] 520431428 MLHBMBKKSDDVRK-ZDUSSCGKSA-N 441.459 5.784 30 20 IKED COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 521493637 GHCRDIICLOHGCY-MRXNPFEDSA-N 432.501 5.256 30 20 IKED Cc1nc(NC(=O)[C@H](Oc2ccc(Cl)cc2)c2ccccc2)sc1SCC#N 521555176 IINYIWMAUQOJMA-QGZVFWFLSA-N 429.954 5.479 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1nc(-c2cccc(Cl)c2)no1 522459694 RUVVGEKDYSXIDG-CYBMUJFWSA-N 427.917 5.106 30 20 IKED CC[C@@H](C)N(Cc1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 522660004 WMORNYVSQGOVSH-OAQYLSRUSA-N 427.548 6.164 30 20 IKED C=CCN(C(=O)c1nc(C(C)C)n(-c2cccc(F)c2)n1)c1nc(-c2ccccc2)cs1 522738812 WBHXWUYCTUXMGN-UHFFFAOYSA-N 447.539 5.486 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1sc(-c2cccs2)nc1C 524120536 NFAHCXWZZCGHMS-UHFFFAOYSA-N 445.569 6.191 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 524192780 YSBRJBGDKVNKPD-WJOKGBTCSA-N 436.552 5.495 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](c2cccc(Cl)c2)N(C)C)cc1 525456303 KGOORSVZUCFVTC-HSZRJFAPSA-N 435.911 5.254 30 20 IKED COC(=O)c1cccc(CN[C@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)c1C#N 533689622 KEKZAOLOTSTHOA-HSZRJFAPSA-N 438.499 5.224 30 20 IKED C[C@H](N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(C#N)c(F)c1 537409676 VQQFZRPLMRIJKG-NPMXOYFQSA-N 442.943 5.194 30 20 IKED COc1ccnc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c1 541327598 LSTIYJMTASTGRP-CQSZACIVSA-N 432.286 5.521 30 20 IKED COc1cc(NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cc(OC)c1C(C)C 542034231 AQYLQYOUMUPPMT-UHFFFAOYSA-N 439.903 5.182 30 20 IKED C[C@H](NC(=O)CCc1nc(-c2ccsc2)no1)c1ccc(-c2cccc(C#N)c2)cc1 542039283 ADUAAJVWDGTMLL-INIZCTEOSA-N 428.517 5.147 30 20 IKED N#Cc1cccnc1Oc1ccccc1NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 542936473 PVWYXUVDQYFEBC-UHFFFAOYSA-N 437.290 5.245 30 20 IKED C[C@H](NC(=O)N(C)Cc1nccn1Cc1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 543016497 DKDHKUWDHSJHIO-NRFANRHFSA-N 449.558 5.373 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1 543222238 QYIQDLCBSFKDPZ-HSZRJFAPSA-N 436.508 5.195 30 20 IKED COC(=O)[C@H](N[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1)c1cccc(C#N)c1 543505493 SLEWMUJQMUJDMU-RNODOKPDSA-N 425.941 5.209 30 20 IKED C[C@H](NC(=O)N(C)Cc1nc2c(s1)CCCC2)c1ccc(-c2cccc(C#N)c2)cc1 543943925 SOKWGQXIZSYRHA-KRWDZBQOSA-N 430.577 5.463 30 20 IKED COc1ccc(C(=O)C[C@@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 544391398 OLJJZBMCLZPPTL-LJQANCHMSA-N 442.515 5.188 30 20 IKED CC(=O)N1CCc2c(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cccc21 547426845 ZKRJJHYDSACACX-UHFFFAOYSA-N 427.529 5.012 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 549698753 IAAZULJYSRTKTF-MHECFPHRSA-N 445.542 5.032 30 20 IKED C=C1CCN(c2nnc([C@@H](C)Oc3ccc4ccccc4c3)n2C[C@@H]2CCCCO2)CC1 549998641 TZUSPZMDCXLPIP-YKSBVNFPSA-N 432.568 5.297 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)o1 552271654 OLILVKAFMVHVGT-XMMPIXPASA-N 436.458 5.432 30 20 IKED CC1(C)CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@H]1c1cccs1 554171492 MSSPQIYQINPLCF-NRFANRHFSA-N 430.533 5.487 30 20 IKED CC1(C(=O)N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 557668494 TWBHWSRPGCHPIK-OQIWPSSASA-N 443.925 5.159 30 20 IKED N#Cc1ccc(-c2nnc(CSc3nc4c(Cl)c(Cl)cc(Cl)c4o3)o2)cc1 557919902 XUZHDNHYJWFHLT-UHFFFAOYSA-N 437.695 6.002 30 20 IKED CCO[C@@H](c1noc(C2(c3cccc(C#N)c3)CC2)n1)c1ccc(F)cc1C(F)(F)F 558388433 DGLBVVBTKSJCAD-GOSISDBHSA-N 431.389 5.305 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)cc2)ccn1 558510643 FBJMCIMSPHHHCB-MHZLTWQESA-N 446.510 5.925 30 20 IKED CCCN(C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H](C)c1cc2ccccc2o1 563721006 HGGIDANMOMWILC-QZTJIDSGSA-N 449.576 5.765 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)CCc1ncc(-c2ccccc2Cl)o1 569758484 FIAOMOPAVVJBHK-UHFFFAOYSA-N 441.918 6.033 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)c1 573009324 AWEPZHTZFACVTB-UHFFFAOYSA-N 433.773 5.328 30 20 IKED Cc1ccc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c(-c2nc3ccccc3[nH]2)c1 583148238 YGZRGRLBBCDCCY-SFHVURJKSA-N 439.494 5.014 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(c3cc(C(F)F)nc4ccc(Cl)cc34)CC2)c1 588816469 YHQCADRNJYXDPL-UHFFFAOYSA-N 440.881 5.553 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccnc(Oc2ccccc2)c1 603668957 UQHRRRPSGCXMLJ-UHFFFAOYSA-N 437.524 5.827 30 20 IKED COc1ccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1OC(F)F 603991833 CHCOCIFTFQIWFT-UHFFFAOYSA-N 426.444 5.248 30 20 IKED CC(=O)Nc1cccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 604046368 BTTGBZCZJCVSKF-OAHLLOKOSA-N 448.910 5.401 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 609072492 OFQGTSVWIHBANA-UHFFFAOYSA-N 426.432 5.088 30 20 IKED CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609208510 NPBSLGOEBAMQNV-UHFFFAOYSA-N 430.464 5.701 30 20 IKED Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 609434819 TVERFJQHDAIIJC-GHTZIAJQSA-N 439.581 5.594 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)cc1C 609533024 VMZDPPRXMHPRPZ-NRFANRHFSA-N 432.955 5.364 30 20 IKED N#C[C@@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccccc1Br 609591142 KCWXIJRXNLBFSX-CYBMUJFWSA-N 440.149 5.965 30 20 IKED Cc1ccccc1-n1c(=O)c2ccccc2n2c(S[C@@H](C)c3ccc(C#N)cc3)nnc12 609813656 XSWFXRWWTFIBMR-KRWDZBQOSA-N 437.528 5.067 30 20 IKED CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccc(F)cc1F 610030109 JECDBWCEPNBDJC-QFIPXVFZSA-N 449.457 5.143 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cc(Cl)ccc1SCC(F)(F)F 610122527 MMDGGZLQGQIUNG-UHFFFAOYSA-N 443.878 5.155 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCc1ccc(-c2ccccc2)cc1 610833942 NLLWPIIFAMYGFF-LJQANCHMSA-N 443.572 5.045 30 20 IKED CCN(CCC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1)CC1CC1 611302480 OLMHUBPXQNWYIV-UHFFFAOYSA-N 447.583 5.111 30 20 IKED CC(C)(C)OCc1ccc(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 615244907 RZHPPQVFOZXPAW-UHFFFAOYSA-N 443.503 5.243 30 20 IKED N#C[C@H](C(=O)c1ccnc(Oc2ccccc2)c1)c1nc(-c2c(F)cccc2F)cs1 623759127 SSTWZCRKQBWVOX-MRXNPFEDSA-N 433.439 5.766 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(Cc1c(F)cccc1F)C1CC1 682848610 AOZBEDHXYUMLNQ-GHMZBOCLSA-N 444.366 5.548 30 20 IKED COc1cc(C=NOCc2csc(Cc3ccc(Cl)cc3)n2)ccc1OC(C)C 725792297 XYSFTZHBGMTCSH-UHFFFAOYSA-N 430.957 5.734 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3c(F)cccc3F)n2)cc1 726321441 JYFXPMUWAWVEAC-CZUORRHYSA-N 439.487 5.563 30 20 IKED Cc1ccc(-c2nnc(SCC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)o2)c(C)c1 727268876 XNSOOTGLEYHRLI-SFHVURJKSA-N 446.557 5.446 30 20 IKED CC[C@@H](C)c1ccc([C@H](NC(=O)NCc2ccc(OCC#N)cc2)c2cccs2)cc1 727844738 JSEMAUSZDGVGGY-KOSHJBKYSA-N 433.577 5.753 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1ccccc1C#N 728062846 WEDYFIYCXIKGRO-MRXNPFEDSA-N 430.895 5.101 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 730394352 HRPVOPGQBCSSTG-FQEVSTJZSA-N 437.430 5.485 30 20 IKED N#C[C@@H](C(=O)CSCc1ccc(Cl)cc1Cl)c1nc2cc(F)ccc2s1 730421939 RNFAPYZJNNYLAC-ZDUSSCGKSA-N 425.337 5.852 30 20 IKED CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)c1 731062396 JSBRKRFCBPCPNM-CYBMUJFWSA-N 434.970 5.252 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 731333317 XXRHWSJSTKHJQI-KPZWWZAWSA-N 434.348 5.519 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)OCC(=O)c3ccc(Cl)cc3Cl)cc2)nc1 732399293 ZBVPCPMDOPFQMS-UHFFFAOYSA-N 427.243 5.092 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)ccc1OC 733232204 PUXNVAIFPMZTSB-KXBFYZLASA-N 434.458 5.205 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)ccc1OC 733655797 CEXSPOZLARJENA-KXBFYZLASA-N 449.473 5.298 30 20 IKED C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 734323637 UYVXQARUQZMRQM-XMERXJNXSA-N 426.516 5.128 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)C(C)(C)c2cccs2)n(C2CCCCC2)c1C 734590938 MRIZNIAPOXDJGT-UHFFFAOYSA-N 427.570 5.003 30 20 IKED FC(F)(F)c1ccccc1C=NOCc1nc(-c2cc(Br)cs2)no1 736296805 NURYPHKLRZBOFH-UHFFFAOYSA-N 432.221 5.130 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 743154959 APOUBCOMDMWJBH-UHFFFAOYSA-N 437.858 5.387 30 20 IKED C#CCOc1ccc(F)cc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 743203186 YYYCEADGLLSZRE-UHFFFAOYSA-N 431.442 5.083 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 744841019 SLUWFDLUEGSLOG-UQBPGWFLSA-N 442.515 5.199 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)OCc3nnc(-c4ccccc4Cl)o3)c2)cc1 745961000 QRLMLABHORPKEP-UHFFFAOYSA-N 430.851 5.362 30 20 IKED COc1cc(Br)c(/C=C/C(=O)c2ccc(SC(F)F)c(OC)c2)cc1O 746346517 QUPQLWKWZGCZMB-HWKANZROSA-N 445.281 5.383 30 20 IKED C[C@@H]1CN(c2ccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)cc2)C[C@@H](C)O1 747391760 WALPWEOOHQNYGW-WOJBJXKFSA-N 441.531 5.003 30 20 IKED C=CCC[C@H](NC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1)c1ccc(C(F)(F)F)cc1 750447953 XXFRFJVZCBVKHZ-UFYCRDLUSA-N 436.474 5.603 30 20 IKED O=C(COc1ccc(C(=O)/C=C/C=C\c2ccccc2[N+](=O)[O-])cc1)Nc1ccccc1 750903152 OJVCBDDNWGQWCU-DCYFYQMASA-N 428.444 5.065 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C\C(=O)c1ccc2c(c1)CCC(=O)N2C 754689371 GHXIUNZCCWJVCR-BENRWUELSA-N 433.939 5.007 30 20 IKED CC[C@@H](C#N)Oc1cc(CNCc2ccc(Br)cc2SC)ccc1OC 756121273 NXRPLVPRRVMHFY-KRWDZBQOSA-N 435.387 5.150 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 756940794 YCPDXEYWJJFGKW-SANMLTNESA-N 444.506 5.384 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(-c2nnc(S)o2)cc1 759778965 OPPRAGSWKHGWCM-UHFFFAOYSA-N 442.500 5.037 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)c3ccc(COc4ccc5ccccc5c4)o3)CCO2)c1 762391814 XVSQEXHZTBHVQH-SANMLTNESA-N 438.483 5.097 30 20 IKED CC#CCCSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccc(OC(F)F)cc1 764953918 IUNWEJFERXPLDX-HKWRFOASSA-N 442.487 5.187 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)c1nnc(-c2cccc(C)c2)o1 765327529 ASKIYPJVHXGHTC-SFHVURJKSA-N 447.564 5.563 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C 765665622 KZJDUKLVLDQHQT-IBGZPJMESA-N 445.466 5.146 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccco2)s1 767493352 IWZKBKNPQHDYIR-CQSZACIVSA-N 426.519 5.198 30 20 IKED N#C[C@H](COC(=O)c1csc(Cc2ccccc2)n1)Cc1cccc(Br)c1 774394626 FQDOKARHBHZCIX-QGZVFWFLSA-N 441.350 5.036 30 20 IKED CCN(C[C@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1)CC(F)(F)F 775489149 SKKACVIZSOOTQX-GCJKJVERSA-N 444.501 5.080 30 20 IKED CCN(C(=O)c1cccc2c1CCCN2C(=O)OC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 778569604 OANHKHUVTNHASA-GOSISDBHSA-N 433.552 5.469 30 20 IKED CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)co1 780485143 PIYCDDCATUFNJC-UHFFFAOYSA-N 433.464 5.221 30 20 IKED C[C@@H](OC(=O)C1(c2ccc(C#N)cc2)CC1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 781400990 MTSDWAJYPJBWEA-GFCCVEGCSA-N 428.275 5.251 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc(Br)cc2C(F)(F)F)c1 790671026 FODJCDJYQAQGBV-XJKSGUPXSA-N 441.291 6.000 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 790814981 WFDYFEDGDKRAPZ-FYYLOGMGSA-N 433.552 5.265 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(C(=O)N(C)C)cc2)ccc1OCc1ccccc1 792924555 MQRWIWMSQGMBDE-MHWRWJLKSA-N 429.516 5.262 30 20 IKED COc1ccc(/C=C(/Cl)c2nc3cc(Br)ccc3o2)cc1OCCCC#N 794740186 SYFJPLFCGIPLRB-XNTDXEJSSA-N 447.716 6.018 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)s1 797217405 CBQBIIGXVYMJKS-GFCCVEGCSA-N 445.560 5.996 30 20 IKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)cc1C#N 799333898 LNOXQUIJQXOKBD-VWLOTQADSA-N 444.579 5.196 30 20 IKED Cc1ccc(C(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1C#N 799721856 YOZGIHFBXWYSKO-SFHVURJKSA-N 442.359 5.118 30 20 IKED C#CCNC(=O)c1cccc(-c2noc(-c3[nH]ccc3-c3c(Cl)cccc3Cl)n2)c1 809348036 PSBHIMUOONKSTH-UHFFFAOYSA-N 437.286 5.069 30 20 IKED CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 815202857 ZFGLSILFSAXRJE-NBGIEHNGSA-N 432.955 5.124 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CCCC#N)c1nc(-c2cccc(Oc3ccccc3)c2)no1 904588818 AFGWZLZOYIDPNV-FQEVSTJZSA-N 434.496 5.789 30 20 IKED CCc1ccc([C@@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)N(C)C)cc1 915352351 KEHSJDVZMKNNCJ-IZZNHLLZSA-N 426.564 5.329 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 916074806 ZGTOWSNIIZSULF-UHFFFAOYSA-N 444.491 5.274 30 20 IKED CCCCOc1cc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1OC 916284053 JDKCBUPBQZXALB-UHFFFAOYSA-N 447.560 5.503 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=Nn1c(S)nnc1-c1ccccc1F 916319793 MTBNZZBBHGZKRB-UHFFFAOYSA-N 447.326 5.056 30 20 IKED Sc1nnc(SCc2ccccc2)n1N=Cc1ccccc1OCc1ccccc1 916368283 ATLNGRLTVAFBRH-UHFFFAOYSA-N 432.574 5.320 30 20 IKED CC(C)(C)[C@H](Cn1ccnc1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 916469153 JDFQIWOTDFETLB-UNMCSNQZSA-N 435.959 5.428 30 20 IKED CCCOc1c(Br)cc(/C=C/C(=O)c2ccc(OCC#N)cc2)cc1OCC 916549323 LGHBEVCTBXTBIT-BJMVGYQFSA-N 444.325 5.435 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc(NC(=O)C(C)(C)C)cc1C 916902725 HBCBXOWPPCKFGT-QGZVFWFLSA-N 439.581 5.127 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 916909848 VGXDHOWDZNACFH-OAQYLSRUSA-N 449.551 5.048 30 20 IKED N#C[C@@H](C(=O)COc1ccc(Cl)c2ccccc12)C(=O)Nc1ccc(Cl)cc1Cl 916928724 RXKWVKDCPQGOIK-HNNXBMFYSA-N 447.705 5.526 30 20 IKED N#C[C@@H](C(=O)CCc1cccc(Br)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 916944283 ASQXERBELAPNBW-INIZCTEOSA-N 440.124 5.036 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nc4ccccc4s3)o2)cc1 916948533 WJUYYONFZGLBDE-YJBOKZPZSA-N 443.528 6.031 30 20 IKED C[C@@H](c1ccccc1)n1c(-c2ccccc2)nn(CN(C)Cc2cccc(C#N)c2)c1=S 917429086 OFQGSFDMOIKFNR-FQEVSTJZSA-N 439.588 5.652 30 20 IKED Cc1ccc(C)c(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc3c(c2)CCCC3)c1 917612496 URHJOKOLKFWBBA-UHFFFAOYSA-O 440.592 5.665 30 20 IKED CN(Cc1cccc2ccccc12)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 918428569 MNTDBVATFJJWCR-SANMLTNESA-N 433.511 5.092 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ncc(-c4ccccc4)o3)n2)cc1 920144034 WPPJQPHIAOJULO-IBGZPJMESA-N 429.501 5.283 30 20 IKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(Cl)cc4)no3)CCC2)cc1 1787885971 ZAMSFCWDNWSHKC-UHFFFAOYSA-N 448.910 5.046 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)C[C@H]4C[C@@H]5CC[C@H]4C5)cc3)CCC2)cc1 1791325350 HLZZWDGWAKNAKY-AKIFATBCSA-N 441.575 5.327 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)s2)[C@@H]1c1cccnc1 1802491676 KOUPOGAVLLBOFI-FXAWDEMLSA-N 446.016 5.109 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(C)cc3Cl)CC2)C1 1805459912 WPSXBPLDNQSNDS-UHFFFAOYSA-N 429.004 5.262 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C(C)=C/c2ccc(C)o2)[C@H]1c1cccnc1 1810404414 JGWVZVOLYPVQTH-ZLGKEQQUSA-N 449.595 5.085 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C(C)=C/c2ccc(C)o2)[nH]n1 1814828978 LRUVIJSNPKQWDW-DKXPKDADSA-N 436.556 5.175 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)c2cccs2)[nH]n1 1814830203 SEBSBBQDFOHQII-APWZRJJASA-N 426.586 5.035 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccccc2Cl)n[nH]1 1816904667 XYQBMAFLSCSEFR-NRFANRHFSA-N 440.975 5.066 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3scnc3c2)n[nH]1 1819148946 FGFFMZIAAHSNRY-XLIONFOSSA-N 449.580 5.094 30 20 IKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCCCC(C)(C)C)[nH]n1)C(F)(F)F 1821995302 VNJZCTPRFGQVBU-KRWDZBQOSA-N 442.526 5.517 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823212555 VPTZUXNPRDPCPD-JPYJTQIMSA-N 445.567 5.111 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2oc3ccccc3c2C)CC1 1828828229 FTRYLCCWSFNDSX-ISKFKSNPSA-N 448.607 5.743 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2cc(C)cc(C)c2)cc1 10172640 PIDPMJLMAQVGGF-UHFFFAOYSA-O 445.652 6.718 30 20 IKED CCOc1ccc(-n2c(SC[C@@H](C#N)CCC#N)nnc2-c2cccc(Cl)c2)cc1 15233012 KSIYDXGIBXZCPS-MRXNPFEDSA-N 437.956 5.522 30 20 IKED C=CCn1c(SCC(=O)c2ccc(NC(=O)CCC)cc2)nnc1-c1cccc(C)c1 18771214 AGRZNPIGOSVQLG-UHFFFAOYSA-N 434.565 5.153 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(OCC)cc2)=C(/S)Nc2ccc(OC)cc2)cc1 22731246 NQRURLCYRAXXQV-UHFFFAOYSA-O 449.596 5.385 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3cccs3)no2)nnc1-c1ccccc1OC 26037857 KVBMDJWUTAFSCS-CYBMUJFWSA-N 425.539 5.105 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 63391993 XHCDGFNGMSPNAN-XMMPIXPASA-N 440.934 6.087 30 20 IKED Cc1cc(C)cc(N(C)C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 64301742 BPTGZKDJNPNUCR-UHFFFAOYSA-N 429.545 5.183 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)ccc1OCc1ccccc1 195662500 ROMTZENZPJXRCT-HXUWFJFHSA-N 441.512 5.283 30 20 IKED COc1ccc(-n2c(S[C@@H](C)c3ccc(C#N)cc3)nc3ccccc3c2=O)cc1OC 303651201 BDMBPWVLWADNPP-INIZCTEOSA-N 443.528 5.128 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)c3c[nH]c4ccc(Oc5ccccc5)cc4c3=O)CC2)cc1 430587611 WQNWYNDCJRSLIA-UHFFFAOYSA-N 447.494 5.122 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccn(C3CCCC3)n2)cc1Cl 431513076 JOTDDLGGCWIAGQ-JOCHJYFZSA-N 433.943 5.629 30 20 IKED Cc1c(C#N)cccc1NC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 432302829 OPQNJEUMUBHXRL-UHFFFAOYSA-N 425.319 5.803 30 20 IKED CN(CC(C)(C)C#N)C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 432768439 OUMAJPOBEATQFV-UHFFFAOYSA-N 433.434 5.363 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)[C@@H]2OCCc3sccc32)cc1 432852095 LXLVILYVZVELJO-WNSKOXEYSA-N 449.532 5.245 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1)c1ccccc1 433002451 MGVZLZONAOYSNI-JOCHJYFZSA-N 428.492 5.134 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 437615522 PJGRVRBTGFIELB-UYAOXDASSA-N 439.441 5.195 30 20 IKED C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 437886203 CFJAFUZXKIPBKB-SIBVEZHUSA-N 443.522 6.086 30 20 IKED COc1ccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1NC(C)=O 438652790 WGDKNNQFQHKFHZ-UHFFFAOYSA-N 434.427 5.101 30 20 IKED CCCc1c(NC(=O)c2cnn(-c3ccccc3)c2CCC)cnn1-c1cccc(C#N)c1 440090924 VOINMMDXBTVAEQ-UHFFFAOYSA-N 438.535 5.087 30 20 IKED CCCc1c(NC(=O)c2cnn(-c3ccccc3C)c2CC)cnn1-c1cccc(C#N)c1 440091657 LURSNCAISNUTBM-UHFFFAOYSA-N 438.535 5.005 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccccc1CN(CC)C(C)=O)c1ccc(C(F)(F)F)cc1 442206037 FZIHCCJKYMUMBY-NRFANRHFSA-N 447.501 5.903 30 20 IKED CN(C)[C@@H]1CCOc2c(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)cccc21 447721662 GYURMFXXSPDBNX-JOCHJYFZSA-N 431.467 5.127 30 20 IKED C=CCn1c(SCC(=O)N2CCC3(CCCCC3)C2)nnc1-c1ccc(Cl)cc1 460654354 GIFITPMLWVWMBL-UHFFFAOYSA-N 431.005 5.059 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(Cl)c2ccccc12 462967960 RVTDGSZBWNGYCW-LBPRGKRZSA-N 445.828 5.200 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)CCc1cccc(Br)c1 463732701 AMYOYXQRFLSIGE-HNNXBMFYSA-N 432.387 5.550 30 20 IKED N#Cc1cc(NC(=O)CSCc2ccncc2)ccc1Oc1ccc(C(F)(F)F)cc1 464295119 BPKBROZUEOUAME-UHFFFAOYSA-N 443.450 5.636 30 20 IKED N#CCC[C@@H](NC(=O)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1ccccc1 468127539 AYPSOIKYCKBXSQ-NHCUHLMSSA-N 430.577 5.260 30 20 IKED COCc1c(Br)cccc1NC(=O)c1cn(CCCC#N)c2ccccc12 468800166 CKJVRUUUOYMMHL-UHFFFAOYSA-N 426.314 5.106 30 20 IKED Cc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1Oc1ccncc1 470848282 LIHLYXZNZVOTBL-UHFFFAOYSA-N 440.503 5.018 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 471276174 DOZZTYLHEGEGKN-UVBSCNOISA-N 448.361 5.660 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1sc2nc(COC)nc(OC)c2c1C 476786227 FYQBYMSKCVLZMR-UHFFFAOYSA-N 425.554 5.259 30 20 IKED C[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1nc(-c2ccncc2)cs1 479632840 KOKAJLLIRNXIPE-INIZCTEOSA-N 442.569 5.719 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(C)n(-c2cccc(Cl)c2)n1 480655784 UTKYTZUFOZAJKI-UHFFFAOYSA-N 426.952 5.222 30 20 IKED Cn1cc([C@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c2ccc(F)cc2)cn1 480811593 MVGOPOGDTGVWPQ-XMMPIXPASA-N 441.466 5.134 30 20 IKED N#Cc1cccc(-c2nnc(CSc3nnc(-c4ccncc4)n3C3CCCCC3)o2)c1 481396867 GLCYUXIGYWAZDE-UHFFFAOYSA-N 443.536 5.059 30 20 IKED C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)CC1 481698675 SMBZMDDDVGSROT-JOCHJYFZSA-N 436.600 5.352 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C[C@H](c2ccccc2)C(F)(F)F)cc1 482929229 GTLPJNLFXCSGBA-HSZRJFAPSA-N 440.440 5.962 30 20 IKED CC(C)(C#N)c1ccccc1CN[C@@H](CO)c1ccc(Br)cc1C(F)(F)F 483257557 RCYSKUVFHLERTJ-SFHVURJKSA-N 441.291 5.092 30 20 IKED Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 483694368 DDFWMOWKOSUROY-UHFFFAOYSA-N 425.488 5.147 30 20 IKED Cc1c(C(=O)N[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)sc2ccc(C#N)cc12 485120155 JAYZZNHSRLULLC-HXOBKFHXSA-N 434.561 5.137 30 20 IKED C=CCOc1c(Br)cc(CNc2cn(CC(C)C)nc2C(F)F)cc1OC 486509445 UIKBKTINTXLKKC-UHFFFAOYSA-N 444.320 5.425 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC(n4ccc(C(F)(F)F)n4)CC3)c2)cc1 487327520 RSIFYNFKZHJDLP-UHFFFAOYSA-N 440.425 5.043 30 20 IKED CCn1c([C@@H]2CCCN2C(=O)Nc2ccc(C#N)c(Br)c2)nc2ccccc21 487845552 WYLWNVHXUJMLMG-IBGZPJMESA-N 438.329 5.059 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3cccc(C(=O)Nc4ccccc4)c3)o2)cc1 489749470 XGIVAHAOBYHNQQ-UHFFFAOYSA-N 443.528 5.846 30 20 IKED CCN(C(=O)c1cc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)ccc1Cl)C(C)C 490488968 SUWXAFULMZSFJK-UHFFFAOYSA-N 440.975 5.525 30 20 IKED C=CCN(Cc1cccs1)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 493138469 MQWMCBQUNVIJLD-UHFFFAOYSA-N 443.922 5.247 30 20 IKED CCOc1ccc(F)c(NC(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)c1F 493810514 PSUAWJYNUVMVDZ-HNNXBMFYSA-N 440.315 5.390 30 20 IKED Cc1ccc(NC(=O)CSc2ccc(C#N)c(C(F)(F)F)c2)c(Br)c1 499469666 HKJHVTXKPCVUPM-UHFFFAOYSA-N 429.261 5.379 30 20 IKED CCOc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 499659093 XZERKMGDKBTJEP-OAQYLSRUSA-N 449.938 5.724 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(NC(=O)C(C)C)c1 502679482 MNKLMZMPASTVLU-UHFFFAOYSA-N 448.336 5.403 30 20 IKED C=CCC[C@H](NC(=O)C(=O)NCc1ccc(C(F)F)cc1)c1ccc(C(F)(F)F)cc1 503033118 YYJTZUVXXMPUAX-SFHVURJKSA-N 440.412 5.083 30 20 IKED CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 503297673 YLDDRDMHWZFMPH-IERDGZPVSA-N 444.000 5.528 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)sc2nccn12 505414456 KBXBBYHMCQOAQE-LBPRGKRZSA-N 433.345 5.625 30 20 IKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1 505839031 QEPVMWNIIRIVBJ-KRWDZBQOSA-N 428.414 5.048 30 20 IKED C[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1ccccc1Oc1ccccc1 506170617 ORMZNDGABYONLH-IBGZPJMESA-N 448.544 5.047 30 20 IKED C[C@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)C(=O)Nc1c(F)cccc1F 512767818 VRWQFORKQSOBEI-LBPRGKRZSA-N 425.460 5.099 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1cc(Br)ccc1F 517532005 ICUUIWDAYACKIQ-CYBMUJFWSA-N 436.350 5.646 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3CCCN(Cc4ccccc4)C3)c2)cc1 517730348 RGUWMPNOASLLET-VWLOTQADSA-N 439.559 5.182 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(OCC(F)(F)F)cc2)cc1 518037630 DJWWZRNECBXVMB-UHFFFAOYSA-N 442.462 6.044 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)cc2)nc1 520326302 ZBHWYUOBICOZPN-UHFFFAOYSA-N 431.455 5.541 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1OCc1ccccc1 521746154 BXTMTBVYBGNYDU-IBGZPJMESA-N 431.561 5.839 30 20 IKED COc1cc(C)c([C@@H](C)NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC 522073097 SSUVAEQOPKJFIG-QGZVFWFLSA-N 431.492 5.559 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1 522484601 WIYMSEDAMSNODQ-UHFFFAOYSA-N 437.427 5.384 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@H](c2ccccc2)c2ccccn2)c1 522573428 UFGFZCDETGQOIF-RUZDIDTESA-N 439.902 5.918 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](CCC)c2cccc(C(F)(F)F)c2)c1 524082541 FKFJGMZGUQXUOA-FQEVSTJZSA-N 434.458 5.256 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F 524967675 OBFXZZVRJSGSCC-RBUKOAKNSA-N 426.394 5.387 30 20 IKED CCCC(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 525230166 JJKWHZGBDOASPH-UHFFFAOYSA-N 446.482 5.550 30 20 IKED Cc1nc(-c2ccc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)cc2)cs1 532312577 VHOHELIHHAYXPN-UHFFFAOYSA-N 441.560 5.765 30 20 IKED O=C(CSCC(F)(F)F)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 534166149 CKZYVKXELLVRQZ-UHFFFAOYSA-N 428.329 5.266 30 20 IKED CC(=O)N(c1nc(CN(CCC#N)CC(C)(C)C)cs1)c1c(C)cc(C)cc1Cl 534468639 CGAHDVRBWILFTJ-UHFFFAOYSA-N 433.021 5.860 30 20 IKED CC(C)(C)n1cc(C#N)c(NC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)n1 539009313 PWQQAQARMZKIPK-UHFFFAOYSA-N 434.443 5.389 30 20 IKED Cc1cc(NC(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)nn1CCC#N 540817261 BGMVNUCXEIVFSD-LJQANCHMSA-N 446.942 5.194 30 20 IKED C[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)C(c1ccccc1)c1ccccc1 542558583 ALLXWBWIBMXOGP-RTWAWAEBSA-N 443.616 5.830 30 20 IKED C[C@H](NC(=O)N[C@H](C)[C@@H]1CCCN(C2CCC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 543017918 YYEUPGCQOZPBOD-WZOHSFFVSA-N 430.596 5.238 30 20 IKED CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 543612693 HYLUYFMNMRYXRL-WIOPSUGQSA-N 445.494 5.874 30 20 IKED COc1ccc(CNc2ccc(C(=O)N3CCc4ccccc43)cc2)cc1OCCCC#N 551821493 LTEVFTCDOAOIRN-UHFFFAOYSA-N 441.531 5.193 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cc(-c2cncc(F)c2)ccc1C 555273065 XQFNULZPLFDMJO-UHFFFAOYSA-N 443.931 5.064 30 20 IKED CC(C)(CCC#N)CNC(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 558376919 DUBPEQOYTOUIOZ-UHFFFAOYSA-N 434.327 5.092 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)c2)c1 559048397 YNYSHWJCRDGGPB-UHFFFAOYSA-N 441.365 5.317 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC(c3noc4cc(F)ccc34)CC2)o1 567552883 VIFSOSAJCOBOLE-UHFFFAOYSA-N 445.450 5.030 30 20 IKED CC1(C(=O)N2CCC(OCC3CCCC3)CC2)CCN(c2ccc(Cl)cc2C#N)CC1 573193086 RMXQZFOZLYKPGH-UHFFFAOYSA-N 444.019 5.016 30 20 IKED COc1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1Cl 574907901 WRKFCWQGFLQEDU-GFCCVEGCSA-N 438.723 5.664 30 20 IKED Cn1cnnc1-c1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 579281191 FTEGJRNDEUPFGL-UHFFFAOYSA-N 429.867 5.052 30 20 IKED CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)c2cccs2)cc1 585693064 BFTUIXSAJRKVRX-HOOSLVGPSA-N 445.588 5.216 30 20 IKED Cc1ccccc1-c1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cs1 589830385 GXBVNHDZNPMJDD-GOSISDBHSA-N 426.526 5.604 30 20 IKED COC(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 603613659 JNEUWFAJBUVEGL-HNNXBMFYSA-N 431.300 5.394 30 20 IKED C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccc(OC(F)F)cc1 603649115 XPHZMQRNDNUIEY-CYBMUJFWSA-N 428.464 5.090 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)o1 603831695 SYEDXTWSDYJHAN-SFHVURJKSA-N 443.528 5.360 30 20 IKED CCN(CC)c1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cn1 603903605 DXGAROICRDNJMC-UHFFFAOYSA-N 430.577 5.022 30 20 IKED Cc1c([C@@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)cnn1-c1ccc(F)cc1 604473810 LRUOOXSJYQIFTJ-LJQANCHMSA-N 440.522 5.621 30 20 IKED Cc1nc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)nn1-c1ccccc1C(C)C 604543787 OVNPBTXBKWFZOM-UHFFFAOYSA-N 438.491 5.010 30 20 IKED N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)cc1 609182536 SWJKCHHDTCQXLK-QFIPXVFZSA-N 444.984 5.079 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccccc3OCc3cccs3)s2)cc1 609326203 QCNWJGRPEXYXQB-UHFFFAOYSA-N 431.542 5.498 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(C(=O)Nc4cccnc4)cc3)cc2)cc1 609515286 XKNCFCZVSADDRI-UHFFFAOYSA-N 448.482 5.445 30 20 IKED C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 609724787 LXPTUYBXFKOHCW-XDHUDOTRSA-N 432.907 5.606 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)cc1Cl 610191842 HLLRZPZTOVVLSK-MRXNPFEDSA-N 436.842 5.214 30 20 IKED COCCN(CCC#N)C(=O)Nc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1C 610559501 PBIXYGYKFWEBQT-UHFFFAOYSA-N 437.519 5.126 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2ccccc2SC[C@H](C)C#N)c1C(F)F 610893488 SYEHOVVKDOYAGR-SNVBAGLBSA-N 432.418 5.363 30 20 IKED N#C[C@@H](NC(=O)c1cc(-c2ccccn2)ccc1Cl)c1ccccc1Br 611112213 DLFPMWYDNREZTR-LJQANCHMSA-N 426.701 5.159 30 20 IKED Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N[C@H](C)c2cccc(C#N)c2)c1C 611389649 VCTAYSKKLGUQEZ-OAHLLOKOSA-N 438.329 5.006 30 20 IKED C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618449001 DFRDNWBIGMMGTD-YUSALJHKSA-N 436.318 5.095 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccccc2)ns1)c1nc2cc(C(F)(F)F)ccc2s1 676590855 HNDDMNKQWKIEFO-CYBMUJFWSA-N 429.448 5.929 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ncccc2Cl)c1C(F)F)c1nc2cc(F)ccc2s1 677564312 GJSNVGVGROUSGN-JTQLQIEISA-N 447.829 5.097 30 20 IKED Fc1ccc([C@H](N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2cccnc2)c(F)c1 680336788 MWKGDBSLVWFGIQ-VAGZCVSGSA-N 438.362 5.948 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 682777143 DOVNIFZNMNDPLO-UHFFFAOYSA-N 430.552 6.000 30 20 IKED C[C@H]1CCCCN1C(=O)c1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1Cl 726469210 JXLIBYMGJOHKJH-ZDUSSCGKSA-N 447.391 5.689 30 20 IKED N#CC(CCOC(=O)c1csc(-c2ccccn2)n1)(c1ccccc1)c1ccccc1 726642510 DOVSEKJBKPRKFC-UHFFFAOYSA-N 425.513 5.262 30 20 IKED Cc1ccccc1-c1nc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cs1 727627741 QGQHLBCMBWPPKQ-INIZCTEOSA-N 430.316 5.387 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)Nc1ccc(C#N)c(Cl)c1 727978208 CHUFSZFZEQYLMW-UHFFFAOYSA-N 432.936 5.780 30 20 IKED CC(C)CCN(CCC#N)Cn1nc([C@H](C)N2CCCCC2)n(-c2ccccc2)c1=S 728901579 NAEAQVGGGCXHLY-NRFANRHFSA-N 440.661 5.169 30 20 IKED Cc1cc(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)c(C)n1-c1ccc(C#N)cc1 729403804 OTKTUGSFKUWTRD-UHFFFAOYSA-N 430.508 5.565 30 20 IKED N#CCOc1ccc(CNC(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)cc1 730219168 ZIJRXFSIBVCWFF-UHFFFAOYSA-N 432.423 5.146 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)/C=C\c1ccc(Br)cc1 731340807 SIVSZTRWHDHXOW-FZDNWWAKSA-N 437.384 5.256 30 20 IKED CCCOc1nc2ccccc2cc1/C=C\C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 731774130 LQUKGLJWIAHOTM-YPLUBFQTSA-N 431.492 5.662 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C)cc3OC)nc2)c1 733844000 XORVHZPUAUOSSN-HXUWFJFHSA-N 446.507 5.194 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 734212766 HDTNMLFNQXOBKY-UHFFFAOYSA-N 427.570 5.261 30 20 IKED C=CC[C@@H](NC(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1)c1ccncc1 734660962 XQKUAXSRUCNKMG-HSZRJFAPSA-N 429.524 5.151 30 20 IKED N#CCOc1ccc(Cl)cc1CSc1nnc(-c2ccco2)n1C1CCCCC1 735230843 KEKBXVOKNMOTRL-UHFFFAOYSA-N 428.945 5.891 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(-c2ccccc2)cc1)[n+]1cccc(O)c1Cl 735666431 KSLNSPJRICGZEK-UHFFFAOYSA-O 437.972 5.377 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CC2)cc1 740059152 HFECMFASJGCSSP-UHFFFAOYSA-N 443.572 5.400 30 20 IKED CC(=NNc1nc(-c2ccccn2)nc2c1CCC2)c1cnn(-c2cccc(Cl)c2)c1C 741809307 HRGJUFUEZROMBF-UHFFFAOYSA-N 443.942 5.011 30 20 IKED COCCOc1cccc(F)c1C(=O)/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 741840648 BCELZDLBWGBZEJ-TWGQIWQCSA-N 445.830 5.569 30 20 IKED C[C@]1(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCCN(C(=O)c2ccccc2)C1 741901398 HTLBSJNIMGVKPV-LSYYVWMOSA-N 437.543 5.223 30 20 IKED N#Cc1cc(NC(=O)c2ccc(-n3ccnc3)nc2)ccc1Oc1ccc(C(F)(F)F)cc1 742784597 GKHMVRJHIINBLQ-UHFFFAOYSA-N 449.392 5.202 30 20 IKED CC(=NNc1nc2cc(C(F)(F)F)ccc2s1)c1ccc(NC(=O)NC2CC2)cc1 743444223 IDLDCWVTTYMRDB-UHFFFAOYSA-N 433.459 5.435 30 20 IKED N#C[C@H](C(=O)NC1CCCCC1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1 744027305 PNBSURMYJCMDHQ-KRWDZBQOSA-N 431.319 5.557 30 20 IKED CCCN(CC)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 744028449 KSBAVUQSMVDQAQ-HSZRJFAPSA-N 441.531 5.676 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)CCc3nc4cc(Br)ccc4s3)[nH]c12 744161544 VAGQTRMOKZSMDR-ZDUSSCGKSA-N 439.338 5.053 30 20 IKED CC[C@@H]1CN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC[C@H]1NC(=O)OC(C)(C)C 757882938 PNPBDJODJQLZLT-KZNAEPCWSA-N 446.617 5.095 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCc3ccc(C(C)C)cc3C2=O)cs1 760229007 FNFFDKJSCMWJAL-BKUYFWCQSA-N 430.573 6.472 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 760801962 QAKGKBMJHIHMPX-UHFFFAOYSA-N 431.442 5.587 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)Nc3ccc(Oc4ccc(Cl)cn4)cc3)CCO2)c1 761870966 GOIPKBUXFJHSJR-OAQYLSRUSA-N 434.883 5.004 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(Br)c(Cl)c1 763480478 XERVTUDSGBTAOB-HNNXBMFYSA-N 433.733 5.188 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2cc3c(s2)CCCC3)cs1)c1ccc(F)cc1F 764432136 JXKCHEDSNYTQLJ-CLFYSBASSA-N 444.528 5.942 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC(OC3CCC(C)CC3)CC2)c1=S 764992499 YWOGEXKYGSERAX-UHFFFAOYSA-N 441.645 5.069 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)C[C@@H](O)c3cc(Cl)cc(Cl)c3)cc2)ccn1 773470600 KHLDOVGPGVKZTJ-HXUWFJFHSA-N 428.275 5.115 30 20 IKED COc1cccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC2(C#N)CC2)c1OC 775826619 RCLCIADLTXDYPJ-VKAVYKQESA-N 440.499 5.199 30 20 IKED CN1C(=O)CCc2cc(CNc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)ccc21 775967775 CTMXKFCVSCAVBK-UHFFFAOYSA-N 431.923 5.312 30 20 IKED CC(C)c1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)cc1)CC2 778941248 PVPLBYIEPYPWFH-UIOOFZCWSA-N 437.543 5.208 30 20 IKED COc1ccc(CC[C@@H]2CCCCN2C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1OC 780671260 VVCZNFFKONHROY-ICSRJNTNSA-N 437.540 5.014 30 20 IKED COc1cc(C(=O)Nc2ccccc2O[C@@H](C)C#N)ccc1OCc1ccccc1Cl 781034850 OZFNPWPKRMLTJF-INIZCTEOSA-N 436.895 5.471 30 20 IKED COc1ccc(/C=C2\N=C(S[C@@H]3CC[C@@H](C#N)C3)N(c3cc(C)cc(C)c3)C2=O)cc1 788096713 NVICSYFXIDUEJS-YHUSHQIESA-N 431.561 5.481 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 788598708 IQVPVCLYYZLFRT-IAGOWNOFSA-N 438.553 5.120 30 20 IKED C[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)NC(=O)OC(C)(C)C 791769904 UVKIUKLSKIJVPY-KXBFYZLASA-N 442.947 5.030 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)c1ccccc1 797572855 JTERSLJXWDRVQP-MSOLQXFVSA-N 441.597 5.663 30 20 IKED C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 800519939 ZZJUFDRFJWQRQQ-CJFMBICVSA-N 440.547 5.025 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)cc1C#N 806364561 ZYCFBEXRMHOYSO-OAQYLSRUSA-N 442.466 5.220 30 20 IKED C#C[C@H](NC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)c1ccc(Cl)cc1 810150667 ZWLXKNJPGJQXHQ-FQEVSTJZSA-N 433.895 5.097 30 20 IKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1CC1CC(F)(F)C1 813561568 KGRHXSMOEDKVNU-LJQANCHMSA-N 443.519 5.001 30 20 IKED COc1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1NC(=O)OC(C)(C)C 814570296 LUQTWGKXIMZGCE-LJQANCHMSA-N 438.528 5.599 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 815908513 CVWUUAAQLNIYML-MRXNPFEDSA-N 442.393 5.325 30 20 IKED O=c1c2cc(Br)ccc2ncn1N=Cc1ccc(-c2cccc(Cl)c2)s1 914695360 RDAROPPICXDXDW-UHFFFAOYSA-N 444.741 5.423 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(SC(F)F)cc1 915118720 JOTUPULJNWRJTP-UHFFFAOYSA-N 446.548 5.100 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(NC(=O)C2CC2)cc1 915354191 WTZRMLZNUBWSFB-CJAUYULYSA-N 438.531 5.573 30 20 IKED COc1cccc(/C=C/C(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)c1OC(C)C 916128107 RMCMPVIHRKCBJY-SAPNQHFASA-N 445.515 5.396 30 20 IKED N#Cc1ccc(CNC(=O)Nc2ccc(COc3ccc(Br)cc3)cc2)cc1 916410184 VCBGIGRHNZCDEB-UHFFFAOYSA-N 436.309 5.221 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(OCCC(C)C)cc1 916902700 IVVHJDDDSPJQRE-GOSISDBHSA-N 428.916 5.043 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCSc1nc2ccccc2s1 916905148 AWRIKDDUPDJKGX-QGZVFWFLSA-N 437.590 5.251 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl 916905361 NZWHRGLAXBDCQC-DYVFJYSZSA-N 449.403 5.946 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(CC)cc2)cc1OCC 916909355 HZGNWHPENGSCMJ-SFHVURJKSA-N 428.916 5.051 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccc(F)cc3)s2)cc1Cl 916940860 ZVRQOICZYKCORC-HNNXBMFYSA-N 428.872 5.177 30 20 IKED Cc1nc(-c2cccs2)sc1C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 916945007 PVPBNKIOCXPMLI-ZDUSSCGKSA-N 436.345 5.448 30 20 IKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@H](OCC(F)(F)F)C1 917751201 DTKIMRWEOKRILA-VQTKUKTRSA-N 449.313 5.307 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ncccc4[nH]3)CCC2)cc1 1789457815 AJMXIIPYNUADDV-FQEVSTJZSA-N 428.536 5.079 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(Cl)ccnc4c3)cc2)CCC1 1790837413 QFUHQHXSXHQUNG-UHFFFAOYSA-N 446.938 5.186 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccsc4)CCC3)cc2)c1 1792124076 ZZSGPQAXCWCNKT-SFHVURJKSA-N 443.572 5.366 30 20 IKED C#CCCCCC(=O)N1CCC2(CCCN(C(=O)c3c[nH]c(-c4ccc(C)cc4)c3)C2)CC1 1807423762 AJAPLQIGYSZXQE-UHFFFAOYSA-N 445.607 5.029 30 20 IKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC(C)(C)C)[nH]n1)c1ccccc1 1819518458 QZGJVYNXVOBKMH-IRLDBZIGSA-N 434.584 5.035 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)ccc2C)CC1 1829068609 HJHMNXAZVHULNV-XMMPIXPASA-N 440.628 5.229 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)sc1C)=C(/S)Nc1ccccc1Cl 10827674 BUZRAJDYHAVNAE-UHFFFAOYSA-O 430.018 5.919 30 20 IKED N#Cc1ccc(C(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)cc1 19059658 GJUYYMBCRIRFGL-UHFFFAOYSA-N 444.947 5.358 30 20 IKED Cc1cc(C(=O)/C(=C(\S)Nc2cccc3ccccc23)[n+]2ccc(N(C)C)cc2)c(C)[nH]1 23603056 ISZHBFDHTDAEDC-UHFFFAOYSA-O 443.596 5.189 30 20 IKED C[C@H](NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1ccc(C(F)(F)F)cc1 30477224 RYZAHPNVNLDNDX-NSHDSACASA-N 445.338 5.540 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1noc(-c2ccsc2)n1 97111980 NZJKOCRUNXBYMJ-UHFFFAOYSA-N 445.957 5.100 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CCCCc1ccccc1 303206594 PSLSMJJWCXGIDO-UHFFFAOYSA-N 427.548 5.932 30 20 IKED Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Nc1ccccc1SC[C@@H](C)C#N 303380633 MMXGSFSRGJNCSO-KRWDZBQOSA-N 433.581 5.122 30 20 IKED C[C@@H]1C[C@H](N(C)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCN1Cc1ccccc1 303729699 DHSXQPYVMOLGKY-PXDATVDWSA-N 439.559 5.476 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 430598438 ODJOGGCTHVRPNZ-OAHLLOKOSA-N 429.542 5.414 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(F)cc2Br)cc1F 437481902 IHIJWXGVTMBVEC-UHFFFAOYSA-N 429.220 5.644 30 20 IKED CCn1c([C@H]2CCCN2CC(=O)Nc2ccccc2SC[C@@H](C)C#N)nc2ccccc21 437651805 FRLNTKMCNLLMGS-PGRDOPGGSA-N 447.608 5.084 30 20 IKED CCN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H](Cc1ccc(F)cc1)C(C)C 438081365 ZKRSSCZHKQNHTA-PGRDOPGGSA-N 427.589 6.199 30 20 IKED Cc1ccccc1-n1nc(C)c(CN(C)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1C 438643174 DOHVUHWQUUWCBP-UHFFFAOYSA-N 441.457 5.352 30 20 IKED COc1cccc(Oc2ccc(N[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)cc2)c1 439574576 QYQWDIVNSZWGEU-GOSISDBHSA-N 433.483 5.374 30 20 IKED N#Cc1ccc(Cl)c(NC(=O)C(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)c1 439617711 WNMMCTAPEYDFKV-UHFFFAOYSA-N 449.860 5.140 30 20 IKED CCCc1c(NC(=O)c2ccc(-c3ccsc3)nc2C)cnn1-c1cccc(C#N)c1 440081566 PTCYIRKJSYRWBI-UHFFFAOYSA-N 427.533 5.381 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)c3ccc(-c4ccccc4OC(F)(F)F)o3)CC2)cc1 440735126 UYFMNRLHWGJTQH-UHFFFAOYSA-N 438.405 5.646 30 20 IKED Cc1cscc1NC(=O)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 440958613 KOOMPTBQTOUEPQ-UHFFFAOYSA-N 445.422 5.317 30 20 IKED COc1ccc(CN(C(=O)NCC2CCC(C#N)CC2)[C@H]2CCCC[C@H]2C)cc1OC 442729882 OSVDBHKAZBUCSI-LCLFBYRMSA-N 427.589 5.124 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)c2ccccc21 444297338 XVXVGFRZIBYHJG-UHFFFAOYSA-N 438.487 5.089 30 20 IKED C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)c1cccs1 460566191 JXTVKGXYMSDWGI-QGZVFWFLSA-N 448.596 5.071 30 20 IKED N#Cc1ccc(-c2nnc(N3CCC[C@H]3c3cccc(Cl)c3)n2C[C@@H]2CCCCO2)cc1 461857408 BRSPAPDKKYPXME-GOTSBHOMSA-N 447.970 5.381 30 20 IKED Cc1cc(F)cc2c(N3CCC(C(=O)Nc4ccc(F)c(Cl)c4)CC3)c(C#N)cnc12 462839266 IQMZJJGFNJCSGC-UHFFFAOYSA-N 440.881 5.202 30 20 IKED C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 463726896 HVVBJGLNIWLVTM-UXHICEINSA-N 447.560 5.168 30 20 IKED COc1cc(CN[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c([N+](=O)[O-])cc1F 464503392 WHPNORQCUSBKLN-HNNXBMFYSA-N 426.288 5.155 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(-c3ccccc3OC)cc2)cc1 466090056 XGKWXGKNVFSCQR-GOSISDBHSA-N 429.520 5.161 30 20 IKED CCOC(=O)[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccccc1 466109000 STUWAAACEKUQSV-HSZRJFAPSA-N 443.503 5.127 30 20 IKED O=C(c1ccc(Br)c(C(F)(F)F)c1)N(CCC(F)(F)F)CC(F)(F)F 468515200 FCNKLWGQLTUWGQ-UHFFFAOYSA-N 446.107 5.425 30 20 IKED CC(C)(C)c1nnc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cn12 469688041 QYDMOSQWRSANEA-MRXNPFEDSA-N 435.940 5.294 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)CSc3ccc(C#N)cc3)C2)n1 470409138 UMHHMCLYDUDOKZ-GOSISDBHSA-N 449.601 5.189 30 20 IKED N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(-c3nc4c(Cl)cccc4[nH]3)cc2)cc1 470903876 NIKBNJLNMSOITF-SFHVURJKSA-N 425.879 5.076 30 20 IKED C=CCn1c(SCC(=O)c2cc(C)c(F)cc2Cl)nnc1-c1ccccc1OC 471213572 SLHDFQCKOUBCFW-UHFFFAOYSA-N 431.920 5.216 30 20 IKED N#CC[C@@H](CC(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1)c1ccccc1 474913510 YEULHUZQOARRLF-LADGPHEKSA-N 429.589 5.051 30 20 IKED COc1cc(C(=O)Nc2ccc(C#N)c(C#N)c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 477362552 CPZKOJGOMZKPQU-UHFFFAOYSA-N 448.822 5.045 30 20 IKED CCc1ccc([C@@H]2COCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)o1 481246379 OQGGPECKJVZLLE-FQEVSTJZSA-N 435.455 5.250 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(Oc3ccncc3)c2)cc1 484061558 XUGNLJWRVDHPDM-UHFFFAOYSA-N 437.524 6.290 30 20 IKED C=CCSc1ccccc1C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 485461957 LWWSGXGWSUYDHX-CQSZACIVSA-N 441.906 5.041 30 20 IKED CC1CCN(c2nnc(SCc3ccccc3C(C)(C)C#N)n2Cc2ccco2)CC1 488592415 GYTGZVHNGBJEPO-UHFFFAOYSA-N 435.597 5.249 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H]3CCN(CCc4ccccc4)C3)cc2)cc1 491490153 JXCZGSVAQBXPPJ-HSZRJFAPSA-N 440.547 5.037 30 20 IKED C=CCN(CCc1ccco1)C(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 496718976 CFEMFFMEPNWIAW-UHFFFAOYSA-N 428.941 5.426 30 20 IKED C[C@@H](NC(=O)NCc1cccc(C#N)c1)c1nc(-c2ccc(Br)cc2)cs1 498285655 FERIRXVRJGNKCG-CYBMUJFWSA-N 441.354 5.005 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl 498477941 QXFIUFBVIDIHMD-STQMWFEESA-N 436.364 5.145 30 20 IKED N#Cc1ccccc1N1CCCN(C(=O)Nc2c(F)cccc2Oc2ccccc2)CC1 504188632 IUCKNDJIFMXISI-UHFFFAOYSA-N 430.483 5.234 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)N[C@@H](c3cccc(Cl)c3)c3ccccn3)CC2)cc1 504835118 JQROEMNTQBCINE-DEOSSOPVSA-N 428.923 5.195 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1[C@H]2CC[C@H]1CC(Cc1ccccc1)C2 507219589 ZTACRKXXAASXIE-NYVOZVTQSA-N 447.604 5.032 30 20 IKED CCc1c(C)sc(NC(=O)c2c(-c3cccc(Br)c3)noc2C)c1C#N 507715356 SERLQBNJBUPSED-UHFFFAOYSA-N 430.327 5.469 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(N3CCCCC3)CC2)cc1Cl 510006903 ROADLXAYNHNTAP-HSZRJFAPSA-N 436.987 5.478 30 20 IKED CN(Cc1ccc2ccccc2c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511318618 GMUAHGRRLVBDPK-UHFFFAOYSA-N 435.527 6.149 30 20 IKED CC(C)[C@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)Nc1ccccc1C(F)(F)F 511369066 JTXKZVSIMPLHGU-IBGZPJMESA-N 433.499 5.606 30 20 IKED CCC1(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)CCN(C(=O)c2ccccc2)CC1 511596119 GOOGWXHPXAWRPX-LJQANCHMSA-N 444.362 5.007 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)sc1-c1cccc(Cl)c1 512982324 XIIIRRLCIOPGNK-KRWDZBQOSA-N 435.961 6.386 30 20 IKED N#C[C@H](C(=O)c1cc2ccccc2n1Cc1ccccc1F)c1nc2ccccc2s1 513656235 ZFLUNNIXPSWREQ-GOSISDBHSA-N 425.488 5.928 30 20 IKED C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 517444403 ZKPWUXDLMMGLGH-LLVKDONJSA-N 434.892 5.411 30 20 IKED Cc1ccc(-c2nnc([C@H](C)Nc3cc(C(F)(F)F)ccc3SCCC#N)o2)cc1 518147754 IWLJJLNITWZYQX-AWEZNQCLSA-N 432.471 6.243 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1nn(-c2ccccc2)c2c1CCC2 518259794 PAVQAJNVIYWWGB-QGZVFWFLSA-N 431.565 5.077 30 20 IKED CCN(Cc1ccc(OC)cc1OC)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 521209691 HBCXWGZLLHXCAD-UHFFFAOYSA-N 431.492 5.422 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccc(CCN3CCCCC3)cc2)CC1 522092527 ARJKVPWTUFYURV-UHFFFAOYSA-N 446.595 5.098 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)c1ccccc1-c1ccc(Cl)cc1 523542904 OSLHFHNHTDLLGL-KRWDZBQOSA-N 434.971 5.544 30 20 IKED C[C@@](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)(C(=O)O)c1ccccc1 524406481 GFKGQUCRXOIWJE-VWLOTQADSA-N 448.906 5.162 30 20 IKED Cn1cc(Br)cc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 524473748 DPHNVJPDQUIZLJ-QGZVFWFLSA-N 428.717 5.349 30 20 IKED C[C@@H](C#N)CN(C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1)C1CC1 532810483 HQYFTZZPJAXSQA-AWEZNQCLSA-N 445.445 5.505 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 534249098 DNMHDEDVMOJTTF-UHFFFAOYSA-N 432.229 5.470 30 20 IKED CNC(=O)c1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c(Cl)c1 534977010 SYSCVPUJFRRHFL-UHFFFAOYSA-N 440.286 5.269 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCc4ccc(Cl)cc4C3)c2)c1 536399014 FFMMXAJJPITXNW-UHFFFAOYSA-N 430.895 5.054 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1ccc(-c2ccncc2)cc1 537138340 KPPOMEFRAFVWQY-RBUKOAKNSA-N 430.577 5.432 30 20 IKED C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nnc1SCC1(C#N)CC1 537557300 KBGFGDJGOQDVTK-VSZNYVQBSA-N 426.561 5.389 30 20 IKED Cc1noc(CCCN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1 541192928 AQJMOGCNHDGFCF-ZDUSSCGKSA-N 435.290 5.241 30 20 IKED C[C@@H](NC(=O)NCCc1nccn1Cc1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 542054113 KPWXDIXXQMWVPO-OAQYLSRUSA-N 449.558 5.073 30 20 IKED CN(C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 542178613 KYMGPYOYQAMLDJ-WMLDXEAASA-N 448.338 5.032 30 20 IKED N#Cc1ccc(CN2CCC(Nc3cccc(C[S@@](=O)C4CCCCC4)c3)CC2)cc1 542832412 WXJBRPLAKDRBIC-WJOKGBTCSA-N 435.637 5.216 30 20 IKED FC(F)n1c(CN[C@@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)nc2ccccc21 542947657 GJDCTZPVRQNNAR-HNNXBMFYSA-N 439.306 5.723 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(OCC4CC4)c(Cl)c3)n2)cc1 543213945 CBVZVBXCDWGBDC-QGZVFWFLSA-N 434.908 5.009 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)Sc1ccc(C#N)c(C(F)(F)F)c1 543861003 AMTUQMKTUFHJNU-HNNXBMFYSA-N 444.482 5.499 30 20 IKED Cn1c(CNc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)nnc1C1CCC1 543956891 RGRKMPUWFMTXIB-UHFFFAOYSA-N 427.430 5.377 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCNC(=O)[C@@H]2CC=CCC2)cc1Cl 546673019 YJTDLFZBGLECQR-KNQAVFIVSA-N 435.955 5.187 30 20 IKED C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@@H]([C@H]2CCOC2)C1 549265038 ZXRHYFZMTXYOBO-RTWAWAEBSA-N 449.624 5.206 30 20 IKED COc1cc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc(Br)c1OC 551519435 WKOMZAOMZLAZAV-UHFFFAOYSA-N 443.322 5.319 30 20 IKED N#CCCC[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)c1ccccc1 551597160 ZZBOYUPHJKTPCX-OAQYLSRUSA-N 447.922 5.622 30 20 IKED CCN(CCC1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1)CC(C)C 553010967 HDYNOHWVLJCMDP-HXUWFJFHSA-N 430.662 5.693 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC(Cc4ccccc4F)CC3)cc2)ccn1 554998039 HDHAHXZYJUADON-UHFFFAOYSA-N 430.483 5.371 30 20 IKED CCOc1ccc(OCc2ccc(-c3nnc(N4CCC(CC#N)CC4)n3CC)cc2)cc1 558860094 LXMDFIMDIQNOAO-UHFFFAOYSA-N 445.567 5.073 30 20 IKED CC(C)c1cccc(C(C)C)c1NC(=O)COc1c(Br)cccc1CC#N 559643581 DDEDTBUPNVSQSI-UHFFFAOYSA-N 429.358 5.779 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cncc(Cl)c1Br 569828440 LLKQWLQBTBWKLV-UHFFFAOYSA-N 435.627 5.333 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3cccc(NCC(F)(F)F)c3)c2)c1 573247226 GCMYOONRFNWVKA-UHFFFAOYSA-N 425.410 5.364 30 20 IKED C[C@@H](NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2cccc(F)c2)no1 579688492 YWBWGYZRBQPFJW-SNVBAGLBSA-N 433.327 5.764 30 20 IKED COC(=O)[C@@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccccc1C(F)(F)F 579782668 IVSFVUXXZDRBJA-FQEVSTJZSA-N 427.382 5.091 30 20 IKED N#Cc1cc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)nc2ccccc12 589042857 UMMKDMWJAKFETB-UHFFFAOYSA-N 437.484 5.187 30 20 IKED CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 589363833 UJKOPPCKNOQSNK-UHFFFAOYSA-N 426.398 5.428 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3N(C)C(=O)c3ccco3)n2)cc1 595127463 QXHILVZTTBWRAJ-IBGZPJMESA-N 441.512 5.478 30 20 IKED COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)Nc2sccc2C#N)cc1 603563446 DNVCDYAIDKODPJ-SAPNQHFASA-N 437.524 5.916 30 20 IKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604499988 SYBYUNFAPXMGBI-OAHLLOKOSA-N 440.425 5.989 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCO[C@@H](c3cccc(F)c3)C2)cc1 608964343 GNKYDQTZYIBSQE-HSZRJFAPSA-N 432.520 5.203 30 20 IKED C[C@@H](CN(C)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1ccccc1 608965756 LEKLLJSSTSITFZ-IBGZPJMESA-N 443.572 5.165 30 20 IKED CCCc1noc(CCCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)n1 609073111 YVNBUDANECIFPR-UHFFFAOYSA-N 438.915 5.088 30 20 IKED COc1ccc(OC)c([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 609078821 QIJKURURRCSAFN-GOSISDBHSA-N 445.519 5.346 30 20 IKED CCN(CC)c1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cn1 609079153 MPQUDETUPDOWMK-UHFFFAOYSA-N 443.551 5.009 30 20 IKED COc1ccccc1OCCCNC(=O)c1ccccc1SCc1ccc(C#N)cc1 609176266 IXPOPTFWXQGUHO-UHFFFAOYSA-N 432.545 5.058 30 20 IKED COc1ccc(C2(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CCOCC2)cc1 609322899 XKSYXRBMEYXHJP-UHFFFAOYSA-N 443.503 5.187 30 20 IKED CC(=O)Nc1ccc(F)c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 609378515 RFMCPVIJQOUVJF-UHFFFAOYSA-N 425.407 5.061 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)c1C 610053684 QUJSPMCVKNDSSB-CQSZACIVSA-N 426.442 5.512 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](c1ccccc1)N1CCSCC1 610153501 UPYWKCMYWJFZJX-RUZDIDTESA-N 443.572 5.388 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2c(F)c(F)cc(F)c2F)cc1 610630022 PHMAYTSMMODUJX-UHFFFAOYSA-N 443.400 5.210 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)ccc1OCc1ccccc1Cl 613291262 XPNAXXYXJRUMQD-FQEVSTJZSA-N 442.902 5.966 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(Cc4ccc(F)cc4)nc3C)n2)cc1 613318820 GNNCRDDVQINJFZ-LJQANCHMSA-N 447.560 6.103 30 20 IKED CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1c(Cl)cc(C#N)cc1Cl 614899314 WBGVZUCFQNFMAR-UHFFFAOYSA-N 448.350 5.131 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2cnc(-c3ccc(C)cc3C)s2)c1C#N 614970657 LCKQXUFGBYTQHN-UHFFFAOYSA-N 445.573 5.459 30 20 IKED C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(c2nc3ccccc3s2)CC1 673731629 HVFIAPCTSVBLRW-UHFFFAOYSA-N 444.560 5.067 30 20 IKED C=CCN(CCc1ccco1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1 680524035 ZOCQVQKZGQOGBX-KRWDZBQOSA-N 445.279 5.476 30 20 IKED O=C(c1cc2ccccc2n1CC(F)(F)F)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 683744778 ODEIYSWRYSWBEK-QWRGUYRKSA-N 432.286 5.016 30 20 IKED CN(CCCNC(=S)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1 726469118 MYGBJFZNHHLJAE-UHFFFAOYSA-N 444.604 5.145 30 20 IKED CCOc1ccc(OCC)c(NC(=S)N(Cc2ccccc2)c2ccccc2C#N)c1 726905967 WRTQRIUAXHCKLA-UHFFFAOYSA-N 431.561 5.759 30 20 IKED COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)NCc1ccc(OCC#N)cc1 727936400 QUSHPYNICUJVQY-UHFFFAOYSA-N 435.455 5.159 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C=C\c1cccc(OC2CCCC2)c1 727953327 FNPMFTSDDRZSCO-ISHSZONUSA-N 430.548 5.494 30 20 IKED Cc1ccc(Cl)c(NC(=S)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1Cl 728446489 WGBSGHRHSXIKIY-SFHVURJKSA-N 426.372 6.766 30 20 IKED CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 730176562 YOMGQGFLWXHLBN-UHFFFAOYSA-N 431.467 5.224 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)O[C@@H](c1ccc(Cl)cc1)c1cccnc1 730429637 LKJNTHYQMKUFQC-DEOSSOPVSA-N 436.895 5.107 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C/C(=O)c1ccc(C(F)(F)F)nc1O 731564663 OEMLGMZFXOSWGB-SOFGYWHQSA-N 442.224 5.503 30 20 IKED Cc1nc(-c2ccc(Br)cc2Cl)nn1CCCOc1ccc(C#N)cc1 731937446 JOEDLRKWGXCYBT-UHFFFAOYSA-N 431.721 5.010 30 20 IKED C#CCN(C(=O)Nc1ccc(OC(C)C)cc1)[C@H]1CCOc2ccc(Br)cc21 733622024 KEFQMUMFSNLMQG-FQEVSTJZSA-N 443.341 5.227 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)c1 733844708 AIASFDMLCLWLOI-QHCPKHFHSA-N 443.503 5.046 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(CCc2ccccc2)Cc2ccccc2)c1 733851670 GQNXXSHMDXNVKO-VWLOTQADSA-N 427.548 5.322 30 20 IKED COc1cc(CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)ccc1OC(C)C 740031076 QRKCRCJOFRQFTJ-UHFFFAOYSA-N 435.549 5.082 30 20 IKED CS[C@H](C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)c1ccccc1 740361479 HBBJLCIMSSOWHM-QFIPXVFZSA-N 439.581 5.068 30 20 IKED COc1cc(C(=O)/C=C/c2c(C)nn(Cc3ccc(Cl)cc3)c2C)cc(OC)c1OC 740763371 AQOJBVIBYSMGOM-ZHACJKMWSA-N 440.927 5.124 30 20 IKED COc1cccc(N=c2scc(-c3ccc(N4CCOC4=O)cc3)n2CCCCC#N)c1 741452292 DDCLCYZZAHWEFZ-UHFFFAOYSA-N 448.548 5.108 30 20 IKED O=C(/C=C/c1csc(-c2ccsc2)n1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741840890 BDAVMMXQWRCQPA-ZZXKWVIFSA-N 443.493 5.104 30 20 IKED Cc1ccc(N2CCC[C@H](NC(=O)c3ccccc3SCc3ccc(C#N)cc3)C2)cc1 742141340 MPHGZLCDWFHJDL-QHCPKHFHSA-N 441.600 5.558 30 20 IKED COc1ccc(Cl)c(N2C(=O)/C(=C\c3ccc(N(C)CCC#N)cc3)SC2=S)c1 743285293 UUKYSXCZJVQLIK-XDHOZWIPSA-N 443.981 5.104 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 743469347 SCRVFDVALUWFFV-NRFANRHFSA-N 438.531 5.193 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cn(-c3ccc(Cl)cc3)nc2C)cc1 744034108 ZZSBJXIZFJQLKW-BTYIYWSLSA-N 434.927 5.309 30 20 IKED C[C@H](OC(=O)c1cccc(COc2ccccc2C#N)c1)c1nc(Cc2ccccc2)no1 745038914 RUVYBUWOZPCAOK-SFHVURJKSA-N 439.471 5.029 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN(CCC)Cc2c(F)cccc2Cl)c1=S 746038305 NRWKRVDDFJGFKV-UHFFFAOYSA-N 431.968 5.324 30 20 IKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)Cc1cc(Cl)ccc1OCC#N 746456707 DKLNISSZZSPYFG-UHFFFAOYSA-N 431.323 5.358 30 20 IKED C[C@@H](OC(=O)c1c(F)c(F)cc(F)c1F)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 748220707 SSDBLLNPXNEMKJ-ZCFIWIBFSA-N 443.702 5.099 30 20 IKED CC(=O)N(c1nc(/C=C2/Cc3c(F)ccc(F)c3C2=O)cs1)c1ccc(F)cc1F 749589891 JTFASKUGOONURT-WDZFZDKYSA-N 432.398 5.207 30 20 IKED Cc1csc(Sc2ccc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)c(C)c2)n1 750825906 IPXJBJIKDNACRY-UHFFFAOYSA-N 434.546 5.727 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H]3C[C@H](O)c3cccs3)c2)cc1 751000939 XRQIYCRABKVURC-UGKGYDQZSA-N 433.533 5.532 30 20 IKED CCCNC(=O)Nc1ccc(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 751329705 VRIDPJDEPPGNKC-DEOSSOPVSA-N 426.520 5.055 30 20 IKED C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccc(F)cc1F 752477189 LQAZCLFJUKDCMQ-OXJNMPFZSA-N 434.442 5.598 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 753297202 BNHMDVPFMIBMQM-VANUSSGQSA-N 425.532 5.631 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)ccc1OC 756696742 IWCXSPIFUNDOIZ-FUHWJXTLSA-N 444.601 5.167 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc1 756942473 MQXNPEHDQAMFOR-XMSQKQJNSA-N 449.551 5.034 30 20 IKED Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)o2)cc1C 758943077 ALSJVXMUFNDIRR-QGZVFWFLSA-N 440.459 5.330 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1NC(=O)c1cccs1 759184957 WACDMHVNXZSUNC-SFHVURJKSA-N 441.512 5.304 30 20 IKED Cc1noc(C[C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2ccccc2)n1 759844623 VXHUUVBPZNKZAM-BJKOFHAPSA-N 437.503 5.139 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCOc3cc(Cl)ccc3C2=O)cs1 774559018 OELNSKQEAIYJPB-LFIBNONCSA-N 438.936 5.838 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1CCc2c(Cl)cccc21 776076995 MAVKDXSELSQVHM-WOJBJXKFSA-N 430.891 5.510 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 778295206 QUVLNGXHEWOFGM-NOZJJQNGSA-N 440.878 5.305 30 20 IKED COC(=O)COc1ccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)cc1 782179914 RWKORHLDBCOQGU-HMMYKYKNSA-N 429.497 5.272 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1 789343740 HLIJDWVKTYYSSW-OAHLLOKOSA-N 432.785 5.580 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 793472823 ALNZLNFYRJKESJ-GOSISDBHSA-N 433.430 5.356 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)CCSc2ccnc3cc(Cl)ccc23)s1 797568650 KRLNLXSNDDHWKB-OAHLLOKOSA-N 429.998 6.001 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)c1 805114145 QSKRWVRKSVHQJP-RXVVDRJESA-N 447.457 5.217 30 20 IKED CC(C)(C)OC(=O)NCCC[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccccc1 811969816 KSEPVUAHLWUVBS-QFIPXVFZSA-N 433.552 5.018 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CC(C)(C)[C@H]2c2ccncc2)c1=S 814228165 WWWBGXPLYDVBKU-LJQANCHMSA-N 425.989 5.356 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CC[C@@H](Oc4ccc(C5CC5)cn4)C3)cc2)cc1 858074017 CAQPNPPYHKKKEB-RUZDIDTESA-N 439.515 5.111 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCc2ccc(Br)s2)cc1 915085912 CUCMPHRUCQMZFP-FQEVSTJZSA-N 439.378 6.127 30 20 IKED N#C[C@H](C(=O)CCSc1nc2ccccc2s1)C(=O)Nc1cccc2ccccc12 916916915 BUWMNKBUDZLJEZ-QGZVFWFLSA-N 431.542 5.279 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 916932446 VODOTXYXDRLGOE-QGZVFWFLSA-N 440.330 5.705 30 20 IKED CC(C)(C)N(N=Cc1ccc(OCCC(=O)O)cc1)C(=S)Nc1cccc(Cl)c1 920384961 HLUBTWVKNCBCSP-UHFFFAOYSA-N 433.961 5.025 30 20 IKED C=CCN(C(=O)c1csc(-c2ccccn2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 920998701 HQDMGOSWJLAFLV-UHFFFAOYSA-N 449.517 5.070 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3nccc4occc34)CCC2)cc1 1786103891 OBEKFAZLHSVICD-UHFFFAOYSA-N 429.520 5.344 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Cc3ccccn3)CCC2)cc1 1789458259 SGITZLQWJQPVAU-YKSBVNFPSA-N 431.580 5.163 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C(C)C)cc3)cc2)CCC1 1790314118 OXWKWFSJCBWFQM-LJQANCHMSA-N 435.568 5.359 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccccc3)CCC2)cc1 1791582874 SEBFLSCVKNZPCK-UHFFFAOYSA-N 437.543 5.300 30 20 IKED Cc1ncsc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792122566 MSMPKNBJFOYHOT-MRXNPFEDSA-N 444.560 5.140 30 20 IKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1 1812808576 YWAMUFIJOZVEGI-FJIJXJHWSA-N 427.633 5.296 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)[nH]n1 1814444127 UQGVZLTWSPMUDJ-JKBKZWBZSA-N 426.605 5.221 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2CCC(F)(F)CC2)[nH]n1 1819552694 XJXWJPTYULGMQN-GOSISDBHSA-N 436.547 5.220 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)[nH]n1 1821921568 SIPCEDPENFRIMM-RHFRXIPYSA-N 426.605 5.221 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C(C)(C)C)oc2C)[nH]n1 1821921745 VIYGNFUHBNWIOS-DNVCBOLYSA-N 426.561 5.127 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ccoc23)CC1 1823753669 XENPOSAWNVQSBL-QHCPKHFHSA-N 436.596 5.659 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(C)C)no2)CC1 1829795623 AUEMPXGWJRJPME-NRFANRHFSA-N 429.605 5.024 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)=C(/S)Nc1ccc(C)cc1 10173150 QSOQPMXFQOQSMR-UHFFFAOYSA-O 434.585 5.043 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(C)c(F)c2)cc1 11083034 YNJNQAMXUJYTFW-UHFFFAOYSA-O 443.514 5.703 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(F)cc2F)cc1 11250104 DSOGTPDESJSQHN-UHFFFAOYSA-O 431.553 5.544 30 20 IKED CC(C)=CC(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC(=O)c1ccc(C#N)cc1 19017686 UNIITXSSWKPLFD-UHFFFAOYSA-N 444.512 5.231 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 63392119 ZOKYPULVGIEWKX-UHFFFAOYSA-N 435.421 5.195 30 20 IKED N#Cc1cc(NC(=O)c2c[nH]cc2-c2ccc(Cl)s2)ccc1OCC(F)(F)F 63915977 DQDMCSWEBBVEGE-UHFFFAOYSA-N 425.819 5.462 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(Oc3cnccn3)c2)cc1 97251584 QPWKUICINNQNPT-UHFFFAOYSA-N 438.512 5.685 30 20 IKED Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 107659540 MFCCUUJOYRZZES-QHCPKHFHSA-N 434.971 5.646 30 20 IKED C=CCn1c(SCc2cccc(C(=O)NCc3ccco3)c2)nnc1-c1ccccc1F 195691197 LIHNPGCLBVMZJV-UHFFFAOYSA-N 448.523 5.086 30 20 IKED Cc1nnc(SCc2c(C(=O)Nc3ccc(Cl)c(C#N)c3)oc3ccccc23)s1 302982393 KRPMPWIGJKPPDX-UHFFFAOYSA-N 440.937 5.662 30 20 IKED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3ccc(-c4ccc(Br)cc4)s3)nc12 429584768 GPBXPCVKNDBRJA-AWEZNQCLSA-N 437.322 5.247 30 20 IKED N#Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c(Cl)c1 430368072 DMLJLOWFAVZBLD-UHFFFAOYSA-N 445.935 5.190 30 20 IKED Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(C(C)(C)C#N)cc2)ccc1Br 431812941 OPPPUIFZNIPVRY-FQEVSTJZSA-N 426.358 5.928 30 20 IKED Cc1ccc(C(=O)Nc2cccc(CNC(=O)N[C@H](CCCC#N)c3ccccc3)c2)cc1 431819274 YTKBCTVPWIRCSI-RUZDIDTESA-N 440.547 5.482 30 20 IKED O=C(CN[C@@H](c1cc(F)ccc1F)C(F)F)Nc1cc(C(F)(F)F)ccc1Cl 434684996 NXLVUQCEOXLZSC-HNNXBMFYSA-N 428.735 5.172 30 20 IKED CC(C)Nc1ncccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 439000537 CFCGUEOFVLEOGK-UHFFFAOYSA-N 445.470 5.092 30 20 IKED Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)Nc1ccccc1SC[C@H](C)C#N 439085512 KJFZQGBLKWQADX-GFCCVEGCSA-N 446.359 6.461 30 20 IKED N#CCC[C@@H](NC(=O)Nc1cc(Br)ccc1Br)c1ccccc1 439307444 WKFXYBSDBRAMKM-OAHLLOKOSA-N 437.135 5.378 30 20 IKED COc1cc(CN(C(=O)N[C@H](CCC#N)c2ccccc2)C2CC2)ccc1OC(F)F 440261317 XOMXORKVENURJG-LJQANCHMSA-N 429.467 5.016 30 20 IKED C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 444413544 UFANNCZHTHKKQP-OPAMFIHVSA-N 433.895 5.001 30 20 IKED C[C@H](CC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N)NC(=O)C1CCCCC1 460172701 NWIHBLYOYXBPRS-GOSISDBHSA-N 437.971 5.220 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C[C@H]1CCCO1)C1CCCC1 460377189 XHCYTRJXSQUBGG-SGNDLWITSA-N 436.600 5.027 30 20 IKED C=C(C)Cn1c(N2CCC[C@@H]2c2ccc(COC)o2)nnc1C(F)(F)Oc1ccccc1 460943132 IPJVPEHFMIUXFC-LJQANCHMSA-N 444.482 5.063 30 20 IKED N#Cc1cccnc1Oc1ccccc1NCc1ncc(-c2ccccc2Br)o1 462227486 ZTLRVVDPKSUAQR-UHFFFAOYSA-N 447.292 5.775 30 20 IKED C[C@@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1nc(C2CCCCC2)no1 464700718 CQHQJHBFVCYXQV-QGZVFWFLSA-N 430.508 5.059 30 20 IKED C=CCOc1cccc(NC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)c1 468607499 KEFPFLDYCJVFAB-UHFFFAOYSA-N 432.307 5.570 30 20 IKED COc1ccc2sc(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)c(C)c2c1 469949531 CKLVPALNMZELAA-UHFFFAOYSA-N 433.533 5.054 30 20 IKED C[C@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccc(-c2ccncc2)cc1 470467960 QVFCBEMSGIWWRZ-CCYWVKEMSA-N 440.547 5.371 30 20 IKED C[C@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@@H]1c1cccc(F)c1 472694777 UTUNRWIICRQXRT-XDHUDOTRSA-N 442.494 5.565 30 20 IKED Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)c1occc1COc1cccc(C#N)c1 472836753 ZWPZVDIQZLYRMD-SFHVURJKSA-N 426.476 5.097 30 20 IKED Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 472848315 JYYPBYDQGXUYMT-HXUWFJFHSA-N 436.515 5.504 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](c4cccs4)C3)cc2Cl)cc1 473774209 RAHCUUHWNZFGJJ-FQEVSTJZSA-N 439.924 5.671 30 20 IKED Cc1ccc([C@H](C)N(C(=O)CCc2c(C)nc(O)c(C#N)c2C)c2cc(C)ccc2F)cc1 474771829 DGOJMJSKZPYQMH-FQEVSTJZSA-N 445.538 5.759 30 20 IKED Cn1cc(-c2cccc(CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)c2)cn1 477038143 ZGPZBLWFCMSTBH-UHFFFAOYSA-N 438.556 5.181 30 20 IKED COc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)ccc1F 477469741 QNOZSQHLZBOSEK-UHFFFAOYSA-N 435.402 5.024 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)N(Cc2ccco2)Cc2cccs2)CC1 479196467 XRCHOKFNPPYFPW-UHFFFAOYSA-N 435.549 5.315 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@H](c2ccc(F)cc2)C2CCC2)nnc1-c1ccco1 481436739 OJDMDNMCKCLEEH-NRFANRHFSA-N 440.544 5.003 30 20 IKED C=C(C)[C@H](NCc1csc(N(C(C)=O)c2ccccc2CC)n1)c1ccc(F)c(F)c1 481631737 UMZFEXBEIHFCOT-QHCPKHFHSA-N 441.547 6.075 30 20 IKED CCc1c(NC(=O)c2cccc(SCC#N)c2)cnn1-c1ccc(C(F)(F)F)cc1 481856925 IAPFHSLADCFYSU-UHFFFAOYSA-N 430.455 5.321 30 20 IKED CC(C)C[C@@](C)(NCc1nnc(-c2cccc(C#N)c2)o1)c1cccc(Br)c1 483062886 WDAUSYJFOAWDEE-JOCHJYFZSA-N 439.357 5.422 30 20 IKED C=CCN(C(=O)C[C@@H](CC#N)c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 483100884 UJHXVNPFSWZOMV-LJQANCHMSA-N 432.505 5.325 30 20 IKED C=CCOc1ccccc1C(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 483239769 ABVSXZIUZXHYMM-SFHVURJKSA-N 432.495 5.063 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1 484555681 IGIIRYPEXZWLLQ-FQEVSTJZSA-N 438.537 5.718 30 20 IKED C=CCSc1ccccc1C(=O)N1CCC(N(CCC)C(=O)c2cccs2)CC1 485522349 UARLIBKECWHPBH-UHFFFAOYSA-N 428.623 5.183 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCc1nc2cc(C(F)(F)F)ccc2o1 488678179 UJPKBZDZZQIQJU-UHFFFAOYSA-N 430.455 5.507 30 20 IKED COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)NCC(C)(C)CCC#N)s1 489862041 FWHJXUJTGGNQAW-UHFFFAOYSA-N 448.592 5.551 30 20 IKED N#Cc1c(NC(=O)CCN2CCC(OC3CCCCC3)CC2)sc2c1CCCCC2 497444932 RUBVXJOPCAWDDA-UHFFFAOYSA-N 429.630 5.031 30 20 IKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(CN4CCCC4=O)cc3)c2C#N)C1 498746032 YQJUYENSWADWCI-GOSISDBHSA-N 435.593 5.145 30 20 IKED CCN(C(=O)CCCOc1ccc(C#N)cc1OC)[C@H](C)c1cccc(C(F)(F)F)c1 499113766 KHOMLPBIDATUNO-MRXNPFEDSA-N 434.458 5.354 30 20 IKED C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1ccc(Oc2ccccc2)c(F)c1 504075579 LIFMXPHIHRVTJW-UPCLLVRISA-N 426.488 5.057 30 20 IKED CCC[C@H]1C[C@H](C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)CCO1 504076068 JTRNIHMXDPCVRR-CVEARBPZSA-N 437.487 5.158 30 20 IKED C=CCn1c(SCc2nc3ccccc3n2C)nnc1-c1ccc(Br)cc1 504296681 DYWXQTQLYKXVMQ-UHFFFAOYSA-N 440.370 5.073 30 20 IKED CCOc1c(Br)cc(Cl)cc1NC(=O)CSCc1ccc(C#N)cc1 504812698 QDHHPQIZFDGXSC-UHFFFAOYSA-N 439.762 5.245 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C 506738803 UUECQTBQXMASDK-HNNXBMFYSA-N 436.537 5.280 30 20 IKED CC[C@H](C)N[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccco1 509599617 GXLRVPGSQVZSSZ-YADARESESA-N 448.542 5.132 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@H](c1ccccc1)C1CCCC1 510189026 HWORMVTWUWDMBB-RUZDIDTESA-N 446.620 5.195 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@@]3(CCc4ccccc43)C2)cc1 510833613 OLGQODDOFWNEBF-SANMLTNESA-N 425.488 5.056 30 20 IKED COc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(OC)c1OC 510905366 FSOFIMYCZGNZNN-UHFFFAOYSA-N 447.491 5.007 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCc2ccc3ccccc3c2)cc1 511395494 CTZYWFXZNSNOGH-UHFFFAOYSA-N 435.527 5.849 30 20 IKED O=C(Nc1nc(C(F)(F)F)cs1)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 511921288 VCQUBGAXDAPLTP-VIFPVBQESA-N 435.296 5.188 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(OC)c(C(C)C)c(OC)c3)n2)cc1 512721691 WPGOFLFOGYUKNP-SFHVURJKSA-N 436.533 5.449 30 20 IKED N#Cc1ccc(OC2CCN(Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)CC2)c(F)c1 512802807 XDCXCXTYEUAYQA-UHFFFAOYSA-N 445.416 5.415 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1nc(-c2ccccc2)cs1 512949074 UHHOYHXSMQZOLW-GOSISDBHSA-N 431.904 6.141 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)c1 514241353 GWQMYCMARSLZOG-XMMPIXPASA-N 432.907 5.004 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(c4c[nH]c5ccccc45)CC3)c2)cc1 517128434 XIAFFHBAJCMEOO-UHFFFAOYSA-N 436.515 6.243 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 517518037 OYORADPDMKSKMR-CVEARBPZSA-N 448.514 5.350 30 20 IKED CC(C)c1nc2ccc(NS(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)cc2s1 519119844 OYXKFSNNLUADCE-UHFFFAOYSA-N 425.457 5.111 30 20 IKED N#C[C@@H](NC(=O)CCc1ccc(OC(F)F)cc1)c1ccc(OCc2ccccc2)cc1 519130758 XJUOJIAFNXMUDC-HSZRJFAPSA-N 436.458 5.181 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1 519515723 SVSLGVKJSXARCZ-KRWDZBQOSA-N 427.533 5.126 30 20 IKED Cc1cc(NC(=O)c2c(F)cc(C#N)cc2F)n(-c2cc(C(F)(F)F)ccc2Cl)n1 531026700 HMGYVJDDPHUVRB-UHFFFAOYSA-N 440.759 5.255 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)N(C[C@H](C)C#N)C1CC1 533599290 OMSPHJIZRYNVAY-MRXNPFEDSA-N 433.531 5.888 30 20 IKED COc1ccc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1-c1ccccn1 535098370 DQVGYODQFYEKPH-AREMUKBSSA-N 449.510 5.331 30 20 IKED C[C@H](NC(=O)NCc1ccc(-c2ccccc2C#N)cc1)c1ccc(NC(=O)C2CC2)cc1 539171311 FIBUDOACVYQOKB-SFHVURJKSA-N 438.531 5.134 30 20 IKED CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)c2ccc(C3(C#N)CC3)cc2)nc1C 539600414 INJORWRMQRSAQL-UHFFFAOYSA-N 445.544 5.030 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)c3ccc(C(F)(F)F)cc3Cl)n2)c(Cl)c1 542037932 RFHOCSDNBZAQKB-UHFFFAOYSA-N 425.197 5.322 30 20 IKED C=CCn1c(S[C@H](C(=O)OC)c2ccccc2C(F)(F)F)nnc1-c1ccccc1 543031673 OTPDTROIYDZBJU-KRWDZBQOSA-N 433.455 5.156 30 20 IKED C[C@H](NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)c1ccc(-c2ccncc2)cc1 543885458 SRZNBHXHBQFQCR-INIZCTEOSA-N 442.910 5.342 30 20 IKED CN1[C@H]2CC[C@H]1CC([C@H](NC(=O)CSc1ccc(C#N)cc1)c1ccc(Cl)cc1)C2 549029600 NCLQUPPZRJVBLU-AWRGLXIESA-N 440.012 5.034 30 20 IKED C=C(C)[C@H](CC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F)OCC 550341981 GSCYRSVYKOEEJU-IBGZPJMESA-N 438.421 5.407 30 20 IKED CC(C)C(=O)Nc1ccc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1 552698584 XHUZCRAWYVICNG-UHFFFAOYSA-N 438.959 5.051 30 20 IKED CC1(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 557554641 ABKJCTVHIOXJAM-IBGZPJMESA-N 439.962 5.048 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1)[C@H]1C[C@H]1C 571475178 MCOUOBXZKTYLJK-DWXRJYCRSA-N 439.515 5.151 30 20 IKED CCc1ccc([C@@H](C#N)NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)cc1 576311402 IHDZQVQJWVMGPP-HSZRJFAPSA-N 449.620 5.032 30 20 IKED N#Cc1ccc(-c2nc(Cc3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)no2)nc1 576667763 OPBPJSHELOYJOX-UHFFFAOYSA-N 438.878 5.100 30 20 IKED CCc1ccc([C@H](C#N)NC(=O)Cc2csc(-c3cc(Br)cs3)n2)cc1 581513904 OCSGAHRJNDPTJS-INIZCTEOSA-N 446.395 5.120 30 20 IKED CC(C)c1c(NCC(=O)Nc2ccccc2SCC#N)cnn1-c1ccc(Cl)cc1 582400328 FKXBRTIEFIOAKT-UHFFFAOYSA-N 439.972 5.315 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2ccc(COC3CCCC3)cc2)cc1 606941954 KOVZNRAYWRGESY-UHFFFAOYSA-N 433.552 5.604 30 20 IKED CC(C)CC(=O)N[C@@H](C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1 609176191 BJJOLYVVZREOMY-RUZDIDTESA-N 427.504 5.193 30 20 IKED C=CCN(C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 610169421 YABXJBQKPJKDJF-WMZOPIPTSA-N 441.459 5.319 30 20 IKED C[C@H](NC(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1)c1cccc(C#N)c1 611073317 BKQHCBZYUZJGNB-ICSRJNTNSA-N 435.572 5.104 30 20 IKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 611362934 AJOIGXGRYSTWJB-BDYUSTAISA-N 439.559 5.535 30 20 IKED C=CCN(C(=O)c1cc(C)n([C@H](C)CC)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 611491599 ZRDQTBDKEFBWLE-CQSZACIVSA-N 425.514 5.027 30 20 IKED CC(=O)c1cccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 615337075 RQIKSIAHNDQTOX-HNNXBMFYSA-N 433.895 5.646 30 20 IKED Cc1ccc(C(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1F 622517069 YQDGMBBHVPVEFU-KRWDZBQOSA-N 435.339 5.385 30 20 IKED O=C(Nc1ccccc1Oc1cccc(F)c1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674563014 RKAABFUMNHKEOU-OKILXGFUSA-N 436.327 5.823 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 684253747 RRPREBQFTYRXID-DSJMHWKBSA-N 440.403 5.671 30 20 IKED O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 684421875 ULEWNHOFEUFNAZ-HGTKMLMNSA-N 426.376 5.234 30 20 IKED Cn1c(C(=O)[C@@H](C#N)c2nc3ccccc3s2)ccc1-c1ccccc1Br 726317617 BNIODGBORSGHAK-CQSZACIVSA-N 436.334 5.554 30 20 IKED COc1ccc(C(=O)/C=C/c2c(C)nn(Cc3ccccc3Cl)c2C)cc1NC(C)=O 726427896 AKFMMDNEFGBIEK-ZHACJKMWSA-N 437.927 5.065 30 20 IKED N#Cc1cccc(COc2ccc(NCc3nc(Cc4ccccc4)no3)cc2Cl)c1 728051992 WZOSRKIJIHLXBS-UHFFFAOYSA-N 430.895 5.377 30 20 IKED Cc1cc([C@H](C#N)C(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)nc(C)n1 728148109 SZGVWLFITJGCQU-QHCPKHFHSA-N 442.950 5.559 30 20 IKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(C2CCC2)C1=O)NCc1ccccc1 730459991 RJRZAHMVIWEIGS-QHCPKHFHSA-N 443.572 5.030 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)COc1ccccc1OCc1ccccc1 730742163 YZZHDHAEMVPIDP-UHFFFAOYSA-N 437.879 5.174 30 20 IKED CC(C)Oc1ccc(Cl)cc1C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 731074946 YQONSBKRIJZGLD-HNNXBMFYSA-N 446.956 5.174 30 20 IKED C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCc2ccc(OCC#N)cc2)nnc1-c1ccco1 731156372 QXJWQFYLPHIMJK-MCNSAMFCSA-N 434.565 5.730 30 20 IKED C#CCN(C(=S)Nc1cc(C)cc(C)c1)[C@@H]1CCOc2ccc(Br)cc21 733086611 MNDHGILUMBSQGL-LJQANCHMSA-N 429.383 5.222 30 20 IKED C=CC[C@H](NC(=O)N[C@@H](Cc1ccccc1C)c1ccc(OC)c(OC)c1)c1ccncc1 734665291 KYBSDIVOXIEIKN-ZEQRLZLVSA-N 445.563 5.308 30 20 IKED COc1cc(COC(=O)c2cnc(Cl)c(Cl)c2)ccc1OCc1cccc(C#N)c1 735131860 PBMWCRTXFYIWQV-UHFFFAOYSA-N 443.286 5.205 30 20 IKED COc1ccc(C[C@H](NCc2cc(Cl)ccc2OCC#N)c2ccc(OC)cc2)cc1 735306744 SFGPWVPQJVIWRH-DEOSSOPVSA-N 436.939 5.333 30 20 IKED C=CCOc1c(Br)cc(/C=C\C(=O)c2c(Cl)nc3ccccn23)cc1OC 737446019 LKDRPXZUBSLFJP-FPLPWBNLSA-N 447.716 5.220 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 740448937 IAIXHMOMSXCEBG-UHFFFAOYSA-N 448.548 5.955 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C(/C)c3ccccc3C(F)(F)F)n2)cc1 744060974 DEHBLMDKQYHWMS-RMHQSFGDSA-N 442.462 6.117 30 20 IKED C=CCN(C(=O)Cc1ccn(C(C)C)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 744354145 CGZWWZKMMBNPOJ-UHFFFAOYSA-N 435.380 5.656 30 20 IKED N#Cc1ccc(NC(=O)COc2ccc(C3SCCCS3)cc2)cc1C(F)(F)F 744371706 ZNLBRXLNGWCNKP-UHFFFAOYSA-N 438.496 5.463 30 20 IKED C[C@@H](C#N)CN(C)Cn1nc(-c2ccc(Br)cc2)n(C2CCCCC2)c1=S 746705849 CHMYAJLIIKOEDD-HNNXBMFYSA-N 448.434 5.398 30 20 IKED N#C[C@H]1C(CN2CCC(Sc3ccc(Cl)cc3)CC2)=CC(=O)n2c1nc1ccccc12 749515894 QFXAZWSQBXTTAL-FQEVSTJZSA-N 448.979 5.134 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 752695384 UNAGMSGQDHZJPT-WIYYLYMNSA-N 438.503 5.476 30 20 IKED C#CC[C@H](NC(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccccc1 757621512 ISJUJJJEZINNQQ-DFBJGRDBSA-N 443.522 5.132 30 20 IKED N#C[C@H](C(=O)/C=C/c1ccc2ccc(Cl)cc2n1)C(=O)Nc1cc(Cl)cc(Cl)c1 759209202 ORFUNYWPFZIUNH-DUMMIQTOSA-N 444.705 5.556 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](c1cccnc1)c1cccc(C(F)(F)F)c1 759593264 FFUYZHIUPXLUFF-BTYIYWSLSA-N 426.394 5.072 30 20 IKED COc1ccccc1[C@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccccn1 759607555 KBBIFOSKKKVLQG-VWLOTQADSA-N 440.455 5.080 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)Nc2ccc(F)cc2OCC#N)cc1 761663395 IXOIKMKOLZLJGP-KRWDZBQOSA-N 433.483 5.629 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(CC[C@@H](O)c4ccccc4)c3)cc2)nc1 762997221 VIPKVHQHHHQEBO-AREMUKBSSA-N 449.510 5.664 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)C1 769787164 PBBVFZRSKYNNBT-VXKWHMMOSA-N 433.596 5.121 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)s2)cc1 777115161 OMQKDKBKCAXBIL-QGZVFWFLSA-N 432.593 5.433 30 20 IKED C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@H]1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 780302057 LUPUWZISAIONBS-HWHRFOGPSA-N 437.543 5.195 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F 780674105 JLYMPYMKRCDPJU-JTQLQIEISA-N 430.238 5.207 30 20 IKED N#C[C@H](C(=O)CC1CCC(C(F)(F)F)CC1)c1nc(-c2ccc(Cl)cc2)cs1 783358128 YARGDHCJZVMIOE-LDZOIKDWSA-N 426.891 6.399 30 20 IKED CC[C@@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1)c1ccccc1 787041335 OSIDHLHPJYNXRC-LOSJGSFVSA-N 440.499 5.271 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 787328018 WUZYKVFBXAFUQC-DHIUTWEWSA-N 446.551 5.269 30 20 IKED Cc1cc([C@H](CC(=O)O[C@@H](C)c2cccc(C#N)c2)NC(=O)OC(C)(C)C)cc(Cl)n1 788353838 LQFNUVZIWLXJAI-KXBFYZLASA-N 443.931 5.175 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)[C@H]1OCCc2sccc21 796756731 OFOMQDXRQZVOLD-AJAPIDPKSA-N 436.480 5.503 30 20 IKED N#C[C@H](C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)c1nc(-c2c(F)cccc2F)cs1 802059485 XGVRPTDQBJRHSG-SJKOYZFVSA-N 440.368 5.994 30 20 IKED CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)N[C@@H](CCCC#N)c3ccccc3)cc2C1 814638550 SWTOOOXOLCKDRQ-QHCPKHFHSA-N 448.567 5.536 30 20 IKED N#CCc1ccc(NC(=O)COC(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)cc1 900062639 WRQYGTPHMZLEHO-ZRDIBKRKSA-N 436.920 5.330 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)cc1OC 915660842 PIWNXMBFXWLDIX-UITAMQMPSA-N 432.495 5.210 30 20 IKED Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915777052 GPIYFYKVNPPWSP-DHIUTWEWSA-N 441.531 5.012 30 20 IKED Cc1ccc(Cl)c(OCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 916907417 YRZNCSPHOSKFFK-GOSISDBHSA-N 434.879 5.167 30 20 IKED N#C[C@H](C(=O)CCSc1ccccc1F)C(=O)Nc1ccccc1Oc1ccccc1 916908611 NHOSFXGTYVVWFV-GOSISDBHSA-N 434.492 5.448 30 20 IKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1 916933285 BVMMCDOGFXDKAX-DPCFLFMUSA-N 436.920 5.438 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(F)c(Cl)c1 916937799 GLAYECRIDDFSDN-HXUWFJFHSA-N 448.881 5.457 30 20 IKED N#C[C@H](C(=O)CSc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997908 ZZDIBJUONZZHLA-OAHLLOKOSA-N 437.348 6.225 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2nc(COc3ccccc3)cs2)o1 917601032 GRXJEAMPAKKJEO-UHFFFAOYSA-N 431.473 5.018 30 20 IKED Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 917669037 LXQVDPLKCGCGOP-VWLOTQADSA-N 433.511 5.362 30 20 IKED C=CCN(C(=O)c1ccc(C2SCCCS2)cc1)c1nc(C(=O)OCC)cs1 920243554 RQLXTEKDARVPBR-UHFFFAOYSA-N 434.608 5.021 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)n1 920328693 UCDKENDTDOSCOE-INIZCTEOSA-N 442.581 5.170 30 20 IKED N#C[C@H](C(=O)C(c1ccccc1)c1ccccc1)c1nc(-c2c(F)cccc2F)cs1 920803763 BPZXHPZMDWIENB-GOSISDBHSA-N 430.479 6.097 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3c(C)nc4sccn34)cc2)CCC1 1789374427 CNWOAZSGWXEQAL-FQEVSTJZSA-N 448.592 5.220 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnn(C(C)(C)C)c3)CCC2)cc1 1789453336 WNLXEIFOJZFFQE-JOCHJYFZSA-N 434.584 5.154 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4ccccc34)CCC2)cc1 1789454277 UUSXMDOVSXTVQX-FQEVSTJZSA-N 428.536 5.079 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(SC)cc3)CCC2)cc1)C(F)(F)F 1791305542 QCFLEUKGFJTCCG-UHFFFAOYSA-N 448.510 5.204 30 20 IKED C[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3)CCC2)cc1)c1cccs1 1791816257 PCAYLCDYRABULA-KRWDZBQOSA-N 429.545 5.171 30 20 IKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc5occ(Cl)c5c4)CCC3)cc2)CCC1 1792231486 RTBHCIALNGKJDP-UHFFFAOYSA-N 447.922 5.528 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc3ccccc23)CC1 1823752023 IMSVYKANCLQVSM-RUZDIDTESA-N 447.623 5.461 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2scnc2C2CC2)CC1 1824140788 KHTRBSWUKJCWEK-NRFANRHFSA-N 441.641 5.022 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccsc2)CC1 1827101750 TZWKRRHFUFKYEE-QFIPXVFZSA-N 430.658 5.293 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cc(C)cc(C)c2)cc1 10172546 ULYMEUMTGKJIDD-UHFFFAOYSA-O 439.551 5.873 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(\S)Nc2cc(Cl)cc(Cl)c2)c1 10179215 YROKKQZFPNEMPN-UHFFFAOYSA-O 447.411 5.596 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(C(C)(C)C)cc1)[n+]1cccc(C)c1 14871950 FVQKKAGGDFSASF-UHFFFAOYSA-O 431.625 6.193 30 20 IKED C[C@@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)Nc1ccc(C#N)c(Cl)c1 15812575 RZARXODJEGJVBB-SNVBAGLBSA-N 433.921 5.065 30 20 IKED C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccc(C)cc1 40978135 AKGXOHFOIKEEKX-UHFFFAOYSA-N 426.973 5.441 30 20 IKED Cc1cccc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c1 43751210 UGPBUXHQXGPSPL-IBGZPJMESA-N 430.558 5.273 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cccc(CN4CCCC4)c3)c2)cc1 64026430 WWBRRCDLQJCKAB-UHFFFAOYSA-N 425.532 5.180 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@H](c2ccccc2)C2CCCC2)CC1 71935036 VEXZMRKJLHQCOF-HSZRJFAPSA-N 444.535 5.070 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2nc(-c3ccccn3)no2)cc1Cl 97404283 ZZNKEWUIIXLFGE-LJQANCHMSA-N 443.894 5.012 30 20 IKED Cc1nc2cc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)ccc2n1-c1ccccc1 195557471 GMCJGWBZMDXMCQ-GOSISDBHSA-N 441.441 5.569 30 20 IKED COc1ccc(CN[C@H](c2ccc(F)cc2)c2ccccc2Cl)cc1OCCCC#N 237356320 XVRXYRYQSQWLED-RUZDIDTESA-N 438.930 6.049 30 20 IKED Cc1ccc([C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)c2cccc(S(C)(=O)=O)c2)cc1 302184688 GXCFFAKOCNPVMS-JOCHJYFZSA-N 444.478 5.491 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cccc(F)c2-c2nc[nH]n2)c1 428225521 BUHOZYWAYRPWSJ-UHFFFAOYSA-N 433.830 5.180 30 20 IKED Cc1cccc(Cc2sc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)nc2C)c1 428250765 ZHRKOLKCWNBWGZ-UHFFFAOYSA-N 441.560 5.380 30 20 IKED CC(C)CCN(CCC#N)C(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 428893257 UKYDIVQVGJDMCW-DEOSSOPVSA-N 432.568 5.458 30 20 IKED Cc1c(C#N)cccc1NC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 432839854 JSHWBMLKDYBOGS-UHFFFAOYSA-N 434.293 5.134 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4nc(C5CC5)no4)cc3)n2)cc1 435458969 RJEXAKOTBDNDTP-IBGZPJMESA-N 437.484 5.099 30 20 IKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cc(C#N)cs1 437664684 WCBSYLWLBFDCCJ-UHFFFAOYSA-N 429.423 5.452 30 20 IKED CCCc1c(NC(=O)C[C@H](c2ccccc2)C(F)(F)F)cnn1-c1cccc(C#N)c1 440058110 ADHJAXCSFKZWHL-LJQANCHMSA-N 426.442 5.371 30 20 IKED COCc1nc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c(-c2ccccc2)s1 442528916 ODWJSOZVKJGTTR-AWEZNQCLSA-N 439.949 5.710 30 20 IKED Cc1cc(O)c(C(C)C)cc1NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 443572170 SCSRHNXYDXVEPS-UHFFFAOYSA-N 439.566 5.484 30 20 IKED N#Cc1ccc(CN2CCCN(C(=O)C[C@@H](Cc3ccccc3)c3ccccc3)CC2)cc1 460686149 DWSHDGJULOVTQP-MUUNZHRXSA-N 437.587 5.009 30 20 IKED C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCc2sc(-c3csc(C)n3)cc2C1 460788444 VLJNUNMMEMKOAF-UHFFFAOYSA-N 448.621 5.281 30 20 IKED COc1ccc(S(=O)(=O)Nc2ccccc2SC[C@@H](C)C#N)c(Cl)c1Cl 460823621 NHKOCVZLWAQDJY-NSHDSACASA-N 431.366 5.055 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1ncc(C#N)cc1Cl 468661320 UOYHPDBXXYLMHD-UHFFFAOYSA-N 425.275 5.073 30 20 IKED N#Cc1cccc(-c2cc(C(=O)N3CC4(CCC4)c4cc(Br)ccc43)on2)c1 468827524 FBBHIRCZHIOGSY-UHFFFAOYSA-N 434.293 5.058 30 20 IKED COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1 472818921 ODECHQSHHGDWNV-IEBWSBKVSA-N 430.529 5.145 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1nc(C2CCCC2)no1 474683367 XKKBSMOCXUSVHN-UHFFFAOYSA-N 430.508 5.058 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C 476175156 YVZJDUZUKOCXSM-DEOSSOPVSA-N 431.580 5.342 30 20 IKED COc1ccccc1-c1csc(C2CCN(C(=O)c3cccc(SCC#N)c3)CC2)n1 481573778 OMDZZCGHICKLHC-UHFFFAOYSA-N 449.601 5.454 30 20 IKED C=C(C)[C@@H](NCc1nc(-c2ccc(Br)s2)no1)c1ccc(F)c(F)c1 481589876 CATMBNYHSZWCFI-MRXNPFEDSA-N 426.286 5.246 30 20 IKED CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)o2)cc1 481811449 ZVQNOTQAJXDHDC-UHFFFAOYSA-N 428.366 5.214 30 20 IKED COc1ccc2ccccc2c1-c1cc(CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)on1 481920058 JAGMOULEAUJSQU-UHFFFAOYSA-N 443.507 5.253 30 20 IKED CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)C[C@@H](CC#N)c2ccccc2)nc1C 483142951 KNACNYQBDAEQTO-OAQYLSRUSA-N 447.560 5.249 30 20 IKED C=C(C)[C@H](NC(=O)N[C@H](C)[C@H](OC1CCOCC1)c1ccccc1)c1ccc(F)c(F)c1 483199954 OKJKKAQNYQUANR-CQLNOVPUSA-N 444.522 5.207 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1cccc(F)c1)C(C)(C)C 493924244 HAEPNYHLDIUEJK-YWZLYKJASA-N 427.545 5.062 30 20 IKED N#Cc1cccc(-c2cnc(CNC(=O)[C@@H](Sc3ccc(F)cc3)c3ccccc3)[nH]2)c1 493947049 QXOUDPWATLVCMI-DEOSSOPVSA-N 442.519 5.237 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 494013227 ZALDVKKWTNQSRB-WOJBJXKFSA-N 448.320 5.559 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)c3c(C)noc3n2)cc1 496189164 PDFZMCOGWCYNCW-KRWDZBQOSA-N 436.393 5.411 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(OC4CCCCC4)CC3)c2)cc1 497997693 QQNOSVCNFFYXNN-UHFFFAOYSA-N 447.579 5.677 30 20 IKED C[C@@H](NC(=O)C1(Cc2ccc(F)cc2)CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 498946325 FOOPRJCECGVGFW-HXUWFJFHSA-N 442.534 5.581 30 20 IKED COc1ccc(CCC(=O)N(Cc2ccco2)c2ccccc2C#N)cc1Br 501018415 DPQNCKKYILMLHI-UHFFFAOYSA-N 439.309 5.088 30 20 IKED C=CCOc1cccc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)c1 501137379 FWLPOHHDJCWNLL-UHFFFAOYSA-N 429.339 5.319 30 20 IKED CC(C)c1nc([C@H]2CCCCCN2C(=O)Nc2ccccc2SC[C@@H](C)C#N)no1 501410399 VNUGJMXICGAJGO-FUHWJXTLSA-N 427.574 5.594 30 20 IKED CC(C)c1nc([C@H]2CCCCCN2C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)no1 501774170 XQRFPZUHXATQGW-HXUWFJFHSA-N 431.496 5.009 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)c1 502245992 CCXMLTGQZNSVHY-UHFFFAOYSA-N 445.475 5.321 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)c2cccc(Br)c2Cl)CC1 503054820 ACJJLDOQGYLDFY-UHFFFAOYSA-N 433.733 5.094 30 20 IKED Cc1cc(C(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)nn1-c1cccc(C#N)c1 503336956 MJLMBFUNQLBOAF-UHFFFAOYSA-N 433.471 5.037 30 20 IKED C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 504777760 YQXZGJMQIOSLBU-CQSZACIVSA-N 434.342 5.440 30 20 IKED N#CCCN(CC1CC1)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 505197639 QJBPTFWPZJUCKZ-UHFFFAOYSA-N 438.534 5.122 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N(Cc3cccs3)Cc3cccs3)CC2)c(F)c1 505356408 VWUKDFUKDOFJGK-UHFFFAOYSA-N 439.581 5.266 30 20 IKED CN(C(=O)c1cccc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)c1)c1ccccc1 505540129 LPIPRCRIFWYCGD-HXUWFJFHSA-N 438.314 5.265 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(COc2ccccc2)CC1 508490978 RWILNMSBEJWXCA-DQEYMECFSA-N 444.579 5.005 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccco1)Cc1cccs1 510906508 ZMHDNXXZWYBKQE-UHFFFAOYSA-N 443.528 6.548 30 20 IKED CCOCc1ccccc1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511438643 MVYHHYIJMVBTFZ-UHFFFAOYSA-N 429.520 5.190 30 20 IKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cc(-c3ccco3)nc21 513181289 OUOODZCLGUKMLT-HNNXBMFYSA-N 439.397 5.176 30 20 IKED Cc1ccc([C@@H](CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)N2CCCC2)o1 513876048 IMSZCABWPFQNCK-JOCHJYFZSA-N 430.508 5.211 30 20 IKED C[C@H](NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1ccc(Oc2cccnc2)cc1 514170415 QQUFSPWOLRZXGO-QTLGCAHFSA-N 426.520 5.416 30 20 IKED C=CCN(Cc1cccs1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 516199619 ORHCPBRBUHKYDO-HXUWFJFHSA-N 438.515 5.632 30 20 IKED C[C@H](SCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(C(F)(F)F)cc1 517451559 OJQSHGMGYLPNBK-CABCVRRESA-N 438.540 6.533 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)Cc2noc(-c3cc(C4CC4)nc(SC)c3C#N)n2)cc1 518200417 LTQZUSAZEAYPNS-CQSZACIVSA-N 447.564 5.297 30 20 IKED N#C[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1cccc(Cl)c1Cl 518207411 IZAJDZYLKJDZRD-MRXNPFEDSA-N 436.751 5.694 30 20 IKED CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 519993757 NDTCQUWIHCDPHP-UHFFFAOYSA-N 449.532 5.136 30 20 IKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 520266069 CNTITQTVXRGXJV-BEFAXECRSA-N 448.464 5.088 30 20 IKED CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 520599647 CKZZTXZWSHDYNL-GOSISDBHSA-N 442.519 5.657 30 20 IKED CCCC[C@H](CC)COCc1cccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1 521325679 YJHQKKWTOCNZNE-NRFANRHFSA-N 449.599 5.040 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@H](CCc1ccccc1)c1ccccc1 521738423 HJPJIXQFBGBBNI-JOCHJYFZSA-N 443.572 5.121 30 20 IKED CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 521789815 MIAFRGNSOSQMSD-MRXNPFEDSA-N 431.517 5.428 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](CC1CCCCC1)C(C)(C)C 522439536 XLOYDMYVDVCVIG-DYESRHJHSA-N 429.630 5.521 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)c3cccc(-n4nccc4C(F)(F)F)c3)c2C#N)C1 522840788 PJOALRKLUAVGQC-LBPRGKRZSA-N 430.455 5.201 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccccc3OCC3CC3)c2)cc1 524609624 HSZKFRUKYVVESM-UHFFFAOYSA-N 441.531 5.442 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1ccccc1Oc1cccc(F)c1)c1ccccc1 524688908 HRAJAYUGFXSJAX-UHFFFAOYSA-N 431.467 5.284 30 20 IKED Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)c[nH]c12 532284449 FZENKCQXBIHRDN-UHFFFAOYSA-N 447.853 5.545 30 20 IKED C=CCC[C@@H](NC(=O)N[C@H](c1ccccc1)c1nccn1C)c1ccc(C(F)(F)F)cc1 533528737 JULBMGYZFMBSJW-NHCUHLMSSA-N 442.485 5.535 30 20 IKED COc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1-c1ccccn1 533650216 VJVCWJGPPMFOKY-UHFFFAOYSA-N 449.510 5.769 30 20 IKED CCCn1c(-c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)nc2cc(C#N)ccc21 534629351 YHRPZJFBIGQWJG-UHFFFAOYSA-N 437.475 5.404 30 20 IKED O=C(Nc1ccc(OC(F)(F)F)cc1Br)c1ccc(F)cc1C(F)(F)F 535335589 PGBPBNPVOTYHNV-UHFFFAOYSA-N 446.116 5.758 30 20 IKED CCCN1C(=O)CCc2cc(NC(=O)NCc3ccc(-c4ccccc4C#N)cc3)ccc21 539132911 RSCHJYJBGNASTQ-UHFFFAOYSA-N 438.531 5.236 30 20 IKED N#CC1(c2ccc(C(=O)Nc3cc(-c4nnc5n4CCCCC5)ccc3Cl)cc2)CC1 540698971 AWBWEBUHZOVKKE-UHFFFAOYSA-N 431.927 5.132 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](CCO)c1ccccc1Br 541043528 DNWNFFFJKZMCNH-YOEHRIQHSA-N 448.386 5.089 30 20 IKED C[C@H](NCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc(-c2cccc(C#N)c2)cc1 541088946 GWZZPSHFVTYVIO-HNNXBMFYSA-N 449.341 6.433 30 20 IKED Cc1cc(F)ccc1-n1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)n1 541200592 HKKUQHIRSXKRCI-CQSZACIVSA-N 438.434 5.212 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)c2cnn(CCC(F)(F)F)c2)c1 541262343 AYZXPWXYASDYBF-UHFFFAOYSA-N 432.833 5.208 30 20 IKED Cc1sc([C@H](C)N[C@H](C)C(=O)NC2(C#N)CCCCC2)nc1-c1ccc(Cl)cc1 541646270 CXNKQFDTECHRSQ-CABCVRRESA-N 431.005 5.154 30 20 IKED CC(C)N(C[C@H](O)COc1cccc2ccccc12)C(=O)Nc1ccc(C#N)cc1Cl 543622695 XPPOAGYTOBYUBA-IBGZPJMESA-N 437.927 5.047 30 20 IKED COc1cc(C#N)ccc1OCc1nc(-c2cccc(Oc3ccc(Cl)cc3)n2)no1 545781859 VCVAPUYJSNPVLH-UHFFFAOYSA-N 434.839 5.037 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)Nc2cccc(Cl)c2SCC(F)F)CC1 548881038 GXGKKCGDACXJAE-UHFFFAOYSA-N 436.915 5.181 30 20 IKED CCCCn1c(SCc2ccc(Br)cc2C#N)nnc1[C@@H](CC)N(C)C 553378253 MRXAFHKGMWCOSR-QGZVFWFLSA-N 436.423 5.017 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(-c4cn5cccnc5n4)c3)c2)cc1 558410662 ALMYGNTXIJRAMX-UHFFFAOYSA-N 430.471 5.264 30 20 IKED CCc1nc2cc(CNC(=O)Nc3ccccc3S[C@H](C)CC#N)ccc2n1C1CC1 558774077 IRCYSASYOFUHRC-MRXNPFEDSA-N 433.581 5.650 30 20 IKED N#Cc1ccc(Br)c(C[S@](=O)[C@@H](c2ccccc2)c2ccc(F)cc2)c1 559231941 SCHCSZLKZQMADF-LVXARBLLSA-N 428.326 5.498 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](c2ccsc2)C1 562755122 QXVAWSXSCQCHQZ-JXFKEZNVSA-N 444.988 5.287 30 20 IKED Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 569414211 NEZGXXTYOJLFSI-RPWUZVMVSA-N 428.492 5.096 30 20 IKED C=CCOc1ccc(/C=C/c2nc(-c3ccc(Oc4ncccn4)cc3)no2)cc1OC 569750733 YHGNLIYJGXEJKW-WUXMJOGZSA-N 428.448 5.063 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 574815948 CPOCPLQIRMMDEP-CXAGYDPISA-N 438.380 5.633 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3C[C@H](c4ccccc4)[C@H]4CCCC[C@@H]43)CC2)c(F)c1 579150292 MKZGXYHSPCMELQ-OYRHQHFDSA-N 431.555 5.099 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 580793291 AUSVPQJRWYXHQI-UHFFFAOYSA-N 430.455 5.288 30 20 IKED COc1ccc(-c2ocnc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 581392157 LJJXBUNPDPURMK-UHFFFAOYSA-N 443.434 5.192 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 583173972 RYLMKCODWIOCED-UXHICEINSA-N 439.441 5.195 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H](C)c2ccc(Oc3cccnc3)cc2)c1 583716795 PQFHGTYZHBJYIK-NRFANRHFSA-N 428.536 5.088 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 583800326 NIMXMVMZUGBGGZ-RUZDIDTESA-N 446.595 5.229 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1sc2ccccc2c1Br 589405144 UDVCSSQNHFJLKX-GFCCVEGCSA-N 431.380 6.310 30 20 IKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F 590377129 UXKZBYVQIOQISL-JTQLQIEISA-N 436.327 5.021 30 20 IKED N#Cc1c(SCC(=O)N[C@@H](c2ccccc2)C2CC2)nc2c(c1-c1ccco1)CCC2 591681379 NTHKQGQHFCFRTE-DEOSSOPVSA-N 429.545 5.062 30 20 IKED CCOc1cc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)ccc1OCc1cccnc1 603627436 MTFOHIZZMVFEDQ-SFHVURJKSA-N 447.491 5.298 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1occc1CSc1ccccc1 603738905 HLECOVYSMKVFSD-UHFFFAOYSA-N 441.512 6.192 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)c1nc(-c2ccncc2)cs1 604005427 IJGWQEDPIPPXIS-NRFANRHFSA-N 447.523 5.548 30 20 IKED CCCN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@H](CC)c1ccccc1 604507549 RXWUCNRPEWOSLT-HSZRJFAPSA-N 442.519 5.074 30 20 IKED C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 605955936 KZFFTLAEUORJDE-UNQGMJICSA-N 440.403 5.623 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(Br)cs1 609060898 PHBGQEVBCNQPJY-UHFFFAOYSA-N 427.323 5.522 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 609061012 HOJBQWTYDKGYOL-XDHUDOTRSA-N 439.515 5.293 30 20 IKED CC1CCN(c2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)cn2)CC1 609073747 WUFAQZJAEMHLSE-UHFFFAOYSA-N 426.520 5.021 30 20 IKED CCOc1ccc([C@H](C)NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC 609209673 IMJSKTLNVWMXII-KRWDZBQOSA-N 431.492 5.641 30 20 IKED Cc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2S[C@H](C)CC#N)c(C)c1 609370946 LFZOMSWULRUNTR-GOSISDBHSA-N 436.606 5.614 30 20 IKED CCOc1ccc(-c2csc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)n2)cc1 609502156 PXIFSILPKKSJNR-UHFFFAOYSA-N 442.500 5.520 30 20 IKED N#CCn1c(C(=O)N2CCC(c3nc(-c4ccccc4)cs3)CC2)cc2ccccc21 609521729 AIHVGQMWQRASFT-UHFFFAOYSA-N 426.545 5.308 30 20 IKED Cc1cccc(CC2CN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)c1 610630073 XYLQCDDPRNJTOM-UHFFFAOYSA-N 425.532 5.347 30 20 IKED CC(C)C[C@@H](C#N)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 611251752 XXPOUCZBSQKXJW-AWEZNQCLSA-N 437.443 5.433 30 20 IKED C[C@@]1(C#N)CCCN(C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)C1 612358640 PSQUCCIYOLICCC-FPOVZHCZSA-N 430.321 5.013 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(CC)cc2)nnc1-c1ccccc1F 613389373 REHTZFUTUULCOJ-SJORKVTESA-N 438.572 5.191 30 20 IKED C[C@]1(C#N)CCCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@@H]2CCCO2)C1 619852854 HSFMHOQDRYYFSB-OYHNWAKOSA-N 441.988 5.122 30 20 IKED N#C[C@H](C(=O)c1ccccc1SCc1cccs1)c1nc2ccccc2n1C(F)F 642282395 NJLBDPUWZSPKPZ-MRXNPFEDSA-N 439.512 6.275 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(F)c(C(F)(F)F)c(F)c3)n2)cc1 683222656 UPZLUUMJAMFYGH-CYBMUJFWSA-N 433.361 5.469 30 20 IKED FC(F)(F)c1ccc(-n2cc(CN3C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)cn2)cc1 685419875 HXPUMQMPEKNSPV-KBPBESRZSA-N 431.302 5.064 30 20 IKED COCCCOc1cccc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)c1 726626629 ITHTZGKDDAIJOJ-YBFXNURJSA-N 444.965 5.033 30 20 IKED Cc1ccc(-c2nn(Cc3ccccc3)cc2CNCc2ccc(OCC#N)cc2)cc1C 729685438 UIYJYBFXIMXVNS-UHFFFAOYSA-N 436.559 5.407 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2ccccc2OCc2cccs2)cc1 730615302 XWXNHYNDOOCZIO-LJQANCHMSA-N 448.544 5.128 30 20 IKED COc1cc(C#N)cc(Cl)c1OC(=O)CCCCOc1ccc(Br)cc1 731163090 PWEOTXAZHFTMFN-UHFFFAOYSA-N 438.705 5.137 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC([C@H](O)c4ccccc4)CC3)cc2)c1 731400478 PDZOHLOEDBHBFU-RUZDIDTESA-N 427.504 5.328 30 20 IKED COc1cc(C(=O)/C=C/c2ncc(-c3ccc(Br)cc3)[nH]2)ccc1SC 732713791 HDZJREPTTXNUCR-CSKARUKUSA-N 429.339 5.466 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)ccc1OC 733654518 SFJOQSPFWAIAPE-PMACEKPBSA-N 427.932 5.076 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cccnc2SCc2ccc(F)cc2)c1 733771309 ROCONHAIVNUIFO-FQEVSTJZSA-N 435.524 5.124 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2COCc2ccccc2)c1 733843632 SNKSHVACXMHMJI-HSZRJFAPSA-N 429.520 5.406 30 20 IKED CCN(C[C@H](C)C#N)C(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1 735037986 OYNQNJZRIVEOGE-LJQANCHMSA-N 427.504 5.353 30 20 IKED C=CCCCN(C)Cn1nc(-c2ccc(OC)c(OC)c2)n(C2CCCCC2)c1=S 736581355 BTRIGFFMOSOYJR-UHFFFAOYSA-N 430.618 5.459 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)Cc1c[nH]c2ccc(Cl)cc12 739486992 KCDNCCJXRQCZOB-UHFFFAOYSA-N 433.689 5.002 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 742653837 ORIUHHVOWYFITQ-ZDUSSCGKSA-N 437.443 5.444 30 20 IKED COc1ccc([C@H](NC(=O)Cc2ccc(OCC#N)cc2)c2ccccc2Cl)c(C)c1 742876832 DWPWGTGMQSETBY-VWLOTQADSA-N 434.923 5.008 30 20 IKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2ccc(F)c(Br)c2)cc1 744807241 QXDRKSRCHGAFKW-UHFFFAOYSA-N 449.349 5.053 30 20 IKED COc1cc(C(=O)/C=C\c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccc1SC(F)F 746347331 ZAKKLGXEYBGDBC-UITAMQMPSA-N 445.447 5.215 30 20 IKED COc1cc(C(=O)/C=C\c2ccc(-c3ccc(Cl)cc3)s2)ccc1S(C)(=O)=O 747061061 CGULLKIMQHINNI-NTMALXAHSA-N 432.950 5.377 30 20 IKED C[C@H]1C/C(=C\c2ccccc2)c2nc3ccccc3c(C(=O)Nc3cnn(CC#N)c3)c2C1 747434680 NFLSVQUTLQVDRS-XTFSCAMASA-N 433.515 5.330 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 750818797 DJAFLDWISPZINH-LJQANCHMSA-N 436.265 5.265 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)C[C@@H](O)c1cccs1 752224889 QJUCLTFGDNKSOP-HTAPYJJXSA-N 435.549 5.141 30 20 IKED O=S(=O)(Nc1ccccc1)c1ccc(NN=Cc2ccc(-c3ccncc3)cc2F)cc1 752728733 YRVNMWUHKLYHER-UHFFFAOYSA-N 446.507 5.135 30 20 IKED CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 755754850 BUZMACQGUBQFDS-CYXNTTPDSA-N 443.522 5.865 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)C2(c3c(Cl)cccc3Cl)CC2)ccc1OC 759218738 PWRCIIKLXRAKPT-OAHLLOKOSA-N 433.335 5.031 30 20 IKED O=C(/C=C\c1c(Cl)oc2ccccc12)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 761204122 FDAHYGQMEPTCIW-KTKRTIGZSA-N 428.815 5.318 30 20 IKED C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CCO[C@@H](c2cccc(C#N)c2)C1 761758078 PXGJQCKMIVQCBR-ORAYPTAESA-N 429.307 5.050 30 20 IKED CC(C)[C@@H](c1ccc(Br)cc1)c1noc(Cc2cccc(OCC#N)c2)n1 762364965 QMOYSURGCSFCFP-FQEVSTJZSA-N 426.314 5.113 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]21 762958402 YCTSNCNIHUHFHV-QHAWAJNXSA-N 425.579 5.160 30 20 IKED C#CCOc1ccc([C@@H](C)N[C@@H](c2ccc(CC)cc2)c2cccc(S(C)(=O)=O)c2)cc1 766277843 PUQGEDOKTWMCPS-HRFSGMKKSA-N 447.600 5.105 30 20 IKED Cc1cn(-c2ccccc2Cl)nc1C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 766621889 BLBBYSVTVCYOID-OAHLLOKOSA-N 447.709 5.102 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3cccc(C(F)(F)F)c3)n2)cc1 766842401 DGQKDGSCLYAOKK-GOSISDBHSA-N 425.435 5.510 30 20 IKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(N2CCC(O)CC2)cc1 771858219 HVMLWCBUUJXLMN-BHQIHCQQSA-N 443.387 5.581 30 20 IKED CC[C@H](C#N)Oc1cccc(CNCc2cc(Br)cc(C)c2OC(F)F)c1 778089485 YLMOLCOEMZYVBL-QGZVFWFLSA-N 439.300 5.330 30 20 IKED C=CCN(CCc1ccco1)Cn1nc(-c2cccs2)n(Cc2ccco2)c1=S 778585204 MLMSOCCQAMEKBQ-UHFFFAOYSA-N 426.567 5.065 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 780149783 FLGBXVCRVMUYQB-CQSZACIVSA-N 438.281 5.180 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN(C)[C@@H]2CCCc3cc(OC)ccc32)c1=S 782895331 OBHPEQHHHNXZII-JOCHJYFZSA-N 435.597 5.028 30 20 IKED Cc1ccc(COc2cccc(NC(=O)C(=O)Nc3ccccc3SCCC#N)c2)cc1 784788891 BKGYTBSASDGVOE-UHFFFAOYSA-N 445.544 5.157 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(OC(F)(F)Cl)cc1 786302860 CYJZTYDPXUDNPE-AWEZNQCLSA-N 446.809 5.130 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](CC#N)c1ccccc1 793888438 OSTKRJUELABJHA-AUSIDOKSSA-N 433.552 5.615 30 20 IKED N#C[C@H](C(=O)C1CCN(Cc2ccccc2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 805854955 CUUXVCKKLSXPHI-OAQYLSRUSA-N 435.980 5.552 30 20 IKED C[S@](=O)c1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 805857243 QWJFZQNYYMCNQT-OLRZCDJHSA-N 449.384 5.273 30 20 IKED Cc1cc(C#N)cnc1C(=O)O[C@@H](C)c1nc2cc(Cl)ccc2n1Cc1ccccc1 815338865 QHGPDHCFEUZFLL-INIZCTEOSA-N 430.895 5.231 30 20 IKED C[C@@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1 837515918 CAIGUSNXRBFJAH-AVRDEDQJSA-N 447.560 5.261 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3cccs3)C2=O)c1 837547160 QUEOVYUTTQTQDA-OAQYLSRUSA-N 449.601 5.525 30 20 IKED COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 915102934 LJHAUEPACWSVKM-HNNXBMFYSA-N 447.343 5.553 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccco2)cc1 916211179 BAMPSZRMCNKFNK-JOCHJYFZSA-N 447.560 5.365 30 20 IKED CC[C@@H](C)c1ccccc1OCC(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916847196 NGIAUQGFGYFNIK-RHSMWYFYSA-N 435.549 5.044 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cc(Cl)ccc3c2Cl)cc1OC 916934382 GCCOOOYZTZTKCJ-ZDUSSCGKSA-N 449.315 5.186 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)cc1Cl 916941142 PIUVEGURIPLFFP-SFHVURJKSA-N 435.911 5.060 30 20 IKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1)c1nc(-c2ccccc2)cs1 917429059 HSUMNHDPKBQMKO-ROUUACIJSA-N 448.523 5.070 30 20 IKED CCOc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)cc1OC 917644774 KQLUWTQTJJAURX-LICLKQGHSA-N 430.938 5.025 30 20 IKED COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 917669130 OAVSFXOJOLBULZ-JTSKRJEESA-N 430.529 5.248 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)COc1ccc2oc3c(c2c1)CCCC3 920106641 VLQMBIFKNBSXLO-HXUWFJFHSA-N 426.472 5.072 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cccn4ccnc34)CCC2)cc1 1785841938 DTVORROVOSFCEI-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccnc(C)c3)CCC2)cc1 1789453353 XKLCTTJNFJIOKM-XMMPIXPASA-N 431.580 5.225 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4ncoc4c3)CCC2)cc1 1789453963 JAPOHIGDHIHFNI-OAQYLSRUSA-N 429.520 5.344 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc4sccc4[nH]3)CCC2)cc1 1789454251 UCYSSLGDNYAYAR-LJQANCHMSA-N 433.577 5.746 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@H]4c4ccccc4)CCC3)cc2)cc1 1790708724 PKEVIHUNUZJMOW-IZZNHLLZSA-N 449.554 5.304 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc4ncccc4[nH]3)cc2)CCC1 1790840651 PKGLCEHNEGDNDA-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)c(Cl)cc3F)cc2)CCC1 1792175067 CCDUOXMKYYKDGW-NSHDSACASA-N 441.355 5.199 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccc(Cl)cc2)CCC1 1801548583 JEJHGSSILNVOIP-KAOXLYBCSA-N 441.015 5.168 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc[nH]c3cc2Cl)n[nH]1 1818745494 XDVKPKXZVHLNEG-VLIAUNLRSA-N 439.947 5.063 30 20 IKED CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)CC1 1820486343 ILPXABLZIFPEGR-KKLQWCBXSA-N 447.583 5.194 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(Cc3ccc(F)cc3)c2)n[nH]1 1821008262 ZBKVFIRSEWBEPU-HSZRJFAPSA-N 446.526 5.022 30 20 IKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)c2ccc(Cl)cc2)[nH]n1 1822579259 CVHNTSSLFCGRFW-UTKZUKDTSA-N 440.975 5.053 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 1831373389 CUNOSMOLVLDLPN-UTKZUKDTSA-N 436.518 5.151 30 20 IKED C=CCn1c(SCc2csc(-c3ccccn3)n2)nnc1-c1ccc(Cl)cc1 12477347 JGVXACJWLJWUEB-UHFFFAOYSA-N 425.970 5.595 30 20 IKED Cc1ccccc1-n1cnnc1SCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 16669357 UUECIDFKONHMJI-UHFFFAOYSA-N 448.596 5.102 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2C)nnc1-c1ccc(F)cc1 16835667 WSFSGSZSOGJWNY-CQSZACIVSA-N 430.936 5.351 30 20 IKED C=CCn1c(S[C@H](C)C(=O)NC(C)(C)C)nc2sc(-c3ccccc3)c(C)c2c1=O 18541089 BBYOVVZYYKALNY-OAHLLOKOSA-N 441.622 5.015 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2ncnc3sc4c(c23)CCC4)c1 23405930 SZKIECBOSXEBPE-INIZCTEOSA-N 436.606 5.224 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2cc(C)[nH]c2C)[n+]2ccc(C(CC)CC)cc2)c1 23604597 ULVNUFCGIRBUFP-UHFFFAOYSA-O 448.656 6.436 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 25100664 OHXKTWGLHUYDGV-UHFFFAOYSA-N 429.570 5.611 30 20 IKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 25841031 MHRWWTJZNZYAFD-UHFFFAOYSA-N 439.515 6.077 30 20 IKED C=CCn1c(SCC(=O)N[C@H]2CCCc3ccccc32)nnc1-c1ccc(Cl)cc1 36627079 DTNSKXBONNTRGS-FQEVSTJZSA-N 438.984 5.070 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccn(-c2ccccc2Cl)n1 97542543 RYBSFRMGKOMSGF-UHFFFAOYSA-N 442.906 5.537 30 20 IKED Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c2c(C)nn(C)c2n1 107647117 PUXMRYXKWWDTGT-FQEVSTJZSA-N 429.911 5.146 30 20 IKED N#Cc1ccc(CN[C@@H](c2ccc(F)cc2)c2ccccc2I)cc1 237916801 NKGKNSMVIRYKMF-NRFANRHFSA-N 442.275 5.181 30 20 IKED CCN(C(=O)c1cc(Br)sc1Br)[C@@H](C)c1ccc(C#N)cc1 303714874 ZSWLONVFVGHVCK-JTQLQIEISA-N 442.176 5.368 30 20 IKED CN(C(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 409911912 PWIAYFMSDGSNKL-RBBKRZOGSA-N 438.453 5.171 30 20 IKED N#CCCCn1cc(C(=O)Nc2cccc(-c3noc(C(F)(F)F)n3)c2)c2ccccc21 428208124 BZJAAAIBMLTESB-UHFFFAOYSA-N 439.397 5.266 30 20 IKED CCn1c(S[C@@H]2CC[C@H](C#N)C2)nnc1-c1cc(-c2ccccc2)nc2ccccc12 430089450 NISBWSGJEKJDAT-PKOBYXMFSA-N 425.561 5.965 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1)c1ccccc1 432900136 FOCZKPFXVPALJB-XMMPIXPASA-N 444.510 5.312 30 20 IKED N#C[C@@H](C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1)c1nc(-c2ccncc2)cs1 437383084 HKJRCQDOGWQYOM-IBGZPJMESA-N 440.459 5.642 30 20 IKED C[C@@H](c1nnc(SCc2ccc(C#N)cc2Cl)n1-c1ccc(Cl)cc1)N(C)C 438817326 FFPMEKCVBLNRGF-ZDUSSCGKSA-N 432.380 5.361 30 20 IKED N#Cc1ccc(CSc2nnc(-c3ccccc3Br)o2)c(OC(F)F)c1 439542895 QIZNFTTXZLTGRL-UHFFFAOYSA-N 438.253 5.264 30 20 IKED N#CCC[C@@H](NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccccc1 439658894 QIMXYZDZPCNGJK-HXUWFJFHSA-N 425.410 5.668 30 20 IKED CCCc1c(NC(=O)N[C@@H](CC(F)(F)F)c2ccccc2)cnn1-c1cccc(C#N)c1 439670254 HYESTDDOGZOFDC-IBGZPJMESA-N 441.457 5.512 30 20 IKED CCCc1c(NC(=O)N2CC[C@@H](C)[C@@H]2c2cccc(F)c2)cnn1-c1cccc(C#N)c1 439688274 PWLSSYWXAKYERQ-MZNJEOGPSA-N 431.515 5.451 30 20 IKED CCCc1c(NC(=O)N2CCC(OC3CCCCC3)CC2)cnn1-c1cccc(C#N)c1 439692872 JSHRSWKVDGTSRE-UHFFFAOYSA-N 435.572 5.042 30 20 IKED CSc1ccc(-c2nsc(NC(=O)c3ccccc3-c3ccccc3C#N)n2)cc1 440468197 IMVONTJCZCNINC-UHFFFAOYSA-N 428.542 5.718 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(Br)sc(C)c1C 440743927 BGNSOLRPWHDMPW-UHFFFAOYSA-N 442.338 5.747 30 20 IKED C=CCC[C@H](NC(=O)N[C@@H](C)c1ccc(NC(N)=O)cc1)c1ccc(C(F)(F)F)cc1 442299191 WUAQBIVJPVOITB-LIRRHRJNSA-N 434.462 5.264 30 20 IKED Cc1sc(NC(=O)CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(C#N)c1C 444729349 FXFSJZVADNKZQM-OAHLLOKOSA-N 449.420 5.477 30 20 IKED CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 444854742 SJJFEDIOKQUJOS-UHFFFAOYSA-N 431.540 5.016 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccnc(O)c2Br)cc1Cl 445203587 MZPQZODYCHIQGA-INIZCTEOSA-N 442.700 5.111 30 20 IKED CC[C@H](N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(C#N)cc1 447536810 QDUGWDIQKJSZQC-ZEQRLZLVSA-N 438.980 5.445 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)CCCNC(=O)c2ccc(F)cc2)c1 460333906 JDKVBEGGFQJMLR-UHFFFAOYSA-N 449.913 5.094 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)CCc1nc2cc(Br)ccc2s1 463414181 NKINBHXDBDWBJB-UHFFFAOYSA-N 442.382 5.302 30 20 IKED Cn1ncc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c1C1CC1 464291635 DAVSEKAOWDCCDP-UHFFFAOYSA-N 426.398 5.233 30 20 IKED N#C[C@H](C(=O)c1ccc(C(F)(F)F)cc1N1CCCC1)c1cc(C(F)(F)F)ccn1 464471338 YDWSYDIIOBBMGN-HNNXBMFYSA-N 427.348 5.209 30 20 IKED O=C(c1cccc(F)c1F)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469767578 ZKDNRHJWUXVVGY-HNNXBMFYSA-N 439.302 5.216 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N(Cc3ccoc3)C3CCCCC3)ccc21 470554843 BPMYGADKXKVDDR-UHFFFAOYSA-N 434.540 5.229 30 20 IKED N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)cc1 472204641 HHNMWXKEBOHTHY-QGZVFWFLSA-N 435.409 5.037 30 20 IKED Cc1cc(-c2noc([C@H](C)NC(=O)Nc3ccccc3S[C@@H](C)CC#N)n2)ccc1F 473824756 VZKZRCFLEWLELX-GJZGRUSLSA-N 439.516 5.461 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)cc1 474827055 ZEPDJBVPQWTLPN-UHFFFAOYSA-N 446.547 5.058 30 20 IKED C[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc2cccc(F)c2o1 474835523 QHUDQSQBDWNJGM-HNNXBMFYSA-N 434.471 5.038 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 476138211 HMPNICVLDZHMDG-UHFFFAOYSA-N 432.511 6.738 30 20 IKED N#CC[C@@H](CC(=O)Nc1ccc(Br)cc1OC(F)(F)F)c1ccccc1 476996232 ZRQWOKZGKVHHJA-ZDUSSCGKSA-N 427.220 5.374 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@@H](C)c2cccc3ccccc23)nnc1-c1ccco1 479842991 GQFJAOWBBMHWAG-KRWDZBQOSA-N 432.549 5.237 30 20 IKED CC1(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 481491060 DOWXIEBKAHYFQO-CYWCHRQTSA-N 425.935 5.020 30 20 IKED C=C(C)[C@H](NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)c1ccc(F)c(F)c1 481591438 KXZINGJSYJNMEY-SFHVURJKSA-N 443.807 5.020 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccc(Oc3ccccn3)cc2)nnc1-c1ccco1 482176708 FBOYFACPQNDROD-UHFFFAOYSA-N 447.520 5.032 30 20 IKED O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 482334150 KLTVQKWSINFWDU-JTQLQIEISA-N 442.709 5.470 30 20 IKED Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)[C@@H](C#N)c1nccc2ccccc12 483201648 XKQXRVJMRKCLKU-FQEVSTJZSA-N 445.320 5.290 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 484765191 FQRFTNZQRHYBPX-NSHDSACASA-N 428.772 6.092 30 20 IKED Cc1sc2ncnc(N3CCC(C(=O)N[C@@H](CCCC#N)c4ccccc4)CC3)c2c1C 487396019 ZZGSDZZVXLKHOX-NRFANRHFSA-N 447.608 5.076 30 20 IKED C[C@@H](NC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1nc(C(F)(F)F)cs1 488663691 RCLQYLBKAQFUBT-KBUNVGBDSA-N 433.324 5.104 30 20 IKED C=CCn1c(Sc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)nnc1-c1ccccc1F 489282792 DYDYSKAYECIGKR-UHFFFAOYSA-N 448.483 5.095 30 20 IKED N#Cc1ccc(CN[C@H](c2ccccc2OC(F)F)C(F)(F)F)c(Br)c1 491380597 NTKBEYJVWGCYSK-OAHLLOKOSA-N 435.190 5.315 30 20 IKED Cc1ccc(/C=C/c2cc(C(=O)N(CC#N)C3CC3)c3cc(Br)ccc3n2)o1 495500007 ROUUWVFAWCMOHO-XBXARRHUSA-N 436.309 5.197 30 20 IKED CCN(C)C(=O)c1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 496690012 OKKWAZSJQNSJNS-UHFFFAOYSA-N 444.510 5.024 30 20 IKED C[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)c1nc(O)c2c(-c3ccco3)csc2n1 499484181 LOTWXGPAEZSKOD-SNVBAGLBSA-N 447.463 6.401 30 20 IKED C=CCc1ccc(OCc2nc(-c3ccc(NC(C)=O)c(C(F)(F)F)c3)no2)c(OC)c1 499627629 SOWPYYMUTKIHRO-UHFFFAOYSA-N 447.413 5.030 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)CCc3ccc(OC(F)F)cc3)c2)cc1 501419405 GEVBFSFPDLQDGY-UHFFFAOYSA-N 436.458 5.504 30 20 IKED CC(C)c1nc2ccc(NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc2s1 502622412 NBMWAYYLLZBCPO-UHFFFAOYSA-N 447.564 5.174 30 20 IKED Cc1cc(SCC(=O)Nc2nc(C)c(SCC#N)s2)c(C)cc1Br 504716387 MPGHUJFMIRSZLY-UHFFFAOYSA-N 442.429 5.177 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 505050427 CLFHHRNLVSICIE-UHFFFAOYSA-N 431.580 5.240 30 20 IKED N#C[C@@H](NC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1cccc(Cl)c1Cl 505325040 FNTPCTSJJCDDNG-QGZVFWFLSA-N 445.375 5.201 30 20 IKED CC(C)Cc1ccc(C(=O)C2CCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)cc1 506458413 CPGBKNAWJHKPMO-UHFFFAOYSA-N 432.539 5.049 30 20 IKED Cc1ccc(N(C(=O)CSCc2ccc(C#N)cc2)c2nc3ccccc3s2)c(C)c1 508580935 SVFYBFIAIOACHI-UHFFFAOYSA-N 443.597 6.383 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC(c2ccccc2)c2ccccc2)cc1 511326854 XEQALOBGFRYOJU-UHFFFAOYSA-N 447.538 6.243 30 20 IKED Cc1ccc(-n2ncc(C(=O)[C@H](C#N)c3nc4ccccc4s3)c2C2CC2)cc1Cl 513654353 LDQWEVQCYUAANT-INIZCTEOSA-N 432.936 5.811 30 20 IKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)cc12 513654914 OGOZPQUPHQEBEJ-HNNXBMFYSA-N 445.935 5.426 30 20 IKED Cc1cc(-c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)c3c(C)noc3n2)c(C)o1 513695367 CNVVXOSHTLEEBC-MRXNPFEDSA-N 428.473 5.508 30 20 IKED C=CCOc1cccc(NC(=O)C(=O)N[C@@H](c2ccc(C(C)C)cc2)c2cccs2)c1 516288947 DWGPGSNNNIWHNY-QHCPKHFHSA-N 434.561 5.281 30 20 IKED CC(C)[C@@H](NC(=O)c1ccccc1)c1noc(/C=C\c2cn(CCC#N)c3ccccc23)n1 516996352 OLIFUTXTCRHAOW-QDGLUTFLSA-N 439.519 5.235 30 20 IKED N#C[C@H](NC(=O)c1ccc(OCC(F)(F)F)cc1)c1ccc(OCc2ccccc2)cc1 517848156 IYOHCUAZIMJOIA-QFIPXVFZSA-N 440.421 5.201 30 20 IKED Cc1cc(CN(C(=O)CCc2c(C)nn(CCC#N)c2C)C2CCCC2)c2ccccc2n1 520352138 IRXGCAAOASAEJK-UHFFFAOYSA-N 443.595 5.174 30 20 IKED COc1ccc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1Br 521167441 YLWGCRUFSRXUEP-INIZCTEOSA-N 444.373 5.258 30 20 IKED C[C@@H](CC#N)N(C)c1nnc([C@@H](C)Oc2ccc3ccccc3c2)n1Cc1ccccc1 521948207 BSCKUZRATOTOSZ-VQTJNVASSA-N 425.536 5.358 30 20 IKED Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)cc2)co1 522693974 RVRLWSQQUCGRAV-UHFFFAOYSA-N 431.473 5.115 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(C#N)cc2)nc1-c1ccccc1 524815564 DCVFXVWBEQDVPG-XMSQKQJNSA-N 429.520 5.468 30 20 IKED N#Cc1ccccc1COc1cccc(CNc2ccc(CCC(=O)N3CCCC3)cc2)c1 532889325 QCVYKXIXIFDHTL-UHFFFAOYSA-N 439.559 5.304 30 20 IKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(CN(C)Cc2cccc(C#N)c2)cs1 534487854 GOYCZGWLYBIHAU-UHFFFAOYSA-N 445.375 5.638 30 20 IKED CCc1nccn1C[C@@H]1CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 537333425 DLYCLHAMVNQPGA-RBBKRZOGSA-N 447.970 5.451 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)c1ccc(-c2cccnc2)cc1 540433236 QSNIROAVUOUFDV-OALUTQOASA-N 430.577 5.432 30 20 IKED CC(C)S(=O)(=O)c1ccccc1NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542027443 ZFJZXOWMVMJANF-GOSISDBHSA-N 447.560 5.290 30 20 IKED CN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 544454886 OWSHOABVKCUQSV-AOYPEHQESA-N 444.506 5.269 30 20 IKED N#Cc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)cc1Cl 548615667 LCJRMUQQNYCDAP-UHFFFAOYSA-N 429.829 5.468 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccccc4Cl)C3)cc2)ccn1 580744241 IDQCVMCUDYLOMR-QFIPXVFZSA-N 434.883 5.004 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1)[C@@H]1C[C@H]1C 581964158 AQJMHQIBXOCKPK-WXTAPIANSA-N 439.515 5.151 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(Cc4ccc(F)cc4)n3)n2)cc1 589019483 TZIRZVSUHXUQBB-GOSISDBHSA-N 433.533 5.795 30 20 IKED CCOc1ccc(CN(CCCn2ccnc2)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 603657640 ALOYKWGDADSRPJ-UHFFFAOYSA-N 445.567 5.207 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 603757437 NMNPHRVQDCSWMT-UHFFFAOYSA-N 441.506 6.135 30 20 IKED COc1ccc(CC2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)CC2)cc1 604554593 MGQCCRYVHGGDNK-UHFFFAOYSA-N 442.519 5.241 30 20 IKED O=C(Nc1cccc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c1)c1ccc(F)cc1 604962172 CIPTVSHHZSNHIJ-UHFFFAOYSA-N 448.338 5.035 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccccc3F)C2)cc1Cl 608994701 QHMQHVTVQFYNRW-XUZZJYLKSA-N 449.913 5.740 30 20 IKED CC[C@H](C)n1ncc2c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)cc(C)nc21 609064514 BGLOFDMTAGDQKA-SFHVURJKSA-N 439.519 5.414 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 609427533 HRONGQGONUNIRL-AWEZNQCLSA-N 441.553 5.816 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 609431898 YMODWGMMYZHXCO-AEFFLSMTSA-N 441.984 5.225 30 20 IKED N#Cc1ccc(-c2ccccc2)nc1SCc1nc(O)c2ccc(C(F)(F)F)cc2n1 609620543 GWWPFNOODJCKNM-UHFFFAOYSA-N 438.434 5.580 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccccc3NC(=O)N3CCCC3)c2)cc1 609660162 OFUWOIGQYOUTHH-UHFFFAOYSA-N 440.503 5.017 30 20 IKED CN(Cc1csc2ccccc12)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609939289 CVQXLTQIQRGJFQ-UHFFFAOYSA-N 441.512 5.162 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)Cc3c[nH]c4ccc(Cl)cc34)s2)cc1 610037121 YBNPAIUYTFWLEW-UHFFFAOYSA-N 439.953 5.018 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(OC3CCOCC3)cc2)cc1 610226722 WSCMUXCQUWZOHL-UHFFFAOYSA-N 444.487 5.169 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611205945 BLVIOBZVBBQHLH-OAHLLOKOSA-N 441.578 6.134 30 20 IKED Cc1cc(NC(=O)N2CCC[C@](C)(C#N)C2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 612578699 JUUHKAIUIMLUEX-GOSISDBHSA-N 425.842 5.011 30 20 IKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)sc2C)cc1 613403576 HCUKLLVVDJMIOI-QGZVFWFLSA-N 437.471 5.967 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(-c2ccc(F)cc2)s1 642158603 XAIGHYAEEKQQCF-IMRBUKKESA-N 439.396 6.194 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2cccc(OCC(F)(F)F)c2C)c1C(F)F 676167192 DVQKMMLJRDOSEQ-UHFFFAOYSA-N 445.310 5.361 30 20 IKED N#Cc1ccc(NC(=S)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)cc1Cl 726465624 KJEZDBGYLCVESW-UHFFFAOYSA-N 449.750 6.515 30 20 IKED COc1ccc(COc2cccc(F)c2)cc1NC(=S)Nc1ccc(C#N)c(Cl)c1 726484933 GDJVWWSAECQTML-UHFFFAOYSA-N 441.915 5.747 30 20 IKED CCCN(C(=O)NCc1ccc(OCC#N)cc1)[C@@H](C)c1ccccc1Br 727942334 GRTJTSOHEAEYKK-INIZCTEOSA-N 430.346 5.034 30 20 IKED COc1cccc(-c2nnc(SCc3ccc(OCC#N)cc3)n2-c2ccccc2)c1 729241033 DINSGQGGZZQJAC-UHFFFAOYSA-N 428.517 5.138 30 20 IKED CC[C@H](C)Oc1ccccc1/C=C\C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 729893131 YZQCFTAEAXYQCM-DLSKLWSHSA-N 432.545 5.886 30 20 IKED Cc1cc(C)c(NC(=O)COC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c(C)c1 730376706 IEGZSFNEQHLKNO-UHFFFAOYSA-N 432.451 5.210 30 20 IKED CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)CC1=O 730420771 FYQBGFDWRIDKJH-MPGHIAIKSA-N 435.524 5.178 30 20 IKED C/C(=C\C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1Cl 731080412 MFMATCHWUKDVPD-MDJJKAFGSA-N 428.941 5.319 30 20 IKED C=CCOc1ccc(/C=C/c2nc(C3(NC(=O)OC(C)(C)C)CCCC3)no2)cc1OC 731799893 YBCXTMJGCNZHID-ZRDIBKRKSA-N 441.528 5.107 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)c1 731975877 ISTGXKBJMGMYHO-QGZVFWFLSA-N 449.403 6.032 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)/C=C/c2cccc(OC3CCCC3)c2)ccc1OC 733232702 XXWAEPVYYHYRJK-OSJHKOOESA-N 434.536 5.027 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1 734078861 BTBRVMTZLZBWEU-SFHVURJKSA-N 429.863 5.522 30 20 IKED COc1ccc(CCC(C)=NOCc2nc(-c3cc(Br)cs3)no2)cc1 736299904 TTXKOKYUUHTDRO-UHFFFAOYSA-N 436.331 5.095 30 20 IKED COc1cc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c(OC)cc1Cl 740430719 QPIGHKBYZFZMRL-UHFFFAOYSA-N 427.913 5.279 30 20 IKED N#CCOc1ccc(CNC(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)cc1 741683720 BXNTXPVQQHQRAP-UHFFFAOYSA-N 427.287 5.618 30 20 IKED C[C@H](C#N)Oc1ccc(/C=C(/Cl)c2ncc(-c3ccccc3Br)o2)cc1 741842706 MOMWUBPGBNYVNQ-HVOBPNNYSA-N 429.701 6.132 30 20 IKED C[C@H](OC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1nc(-c2cccnc2)no1 748237119 UNIVAYVPBZVCSP-HNNXBMFYSA-N 428.473 5.072 30 20 IKED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)CCN3c4ccccc4Sc4ccccc43)nc12 750724742 PDSOPFMAICWSJS-INIZCTEOSA-N 425.517 5.136 30 20 IKED C#CC[C@@H](OC(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1)C1CC1 750773880 BRHYFENLNCKCOC-KBXCAEBGSA-N 438.574 5.031 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c(-c3ccc(F)cc3)noc2C)cc1 751142562 MWRAGNUBZWMHBK-UHFFFAOYSA-N 443.434 5.714 30 20 IKED CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)Nc1ccccc1S[C@H](C)CC#N 751549211 VLGZZFSQXOBATC-UTKZUKDTSA-N 429.561 5.443 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCCCC[C@@H]2C[C@H](O)c2ccco2)cc1 752102697 RAOLIRFOELGGEW-NOZRDPDXSA-N 444.531 5.239 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@@H]1c1ccc(-c2ccncc2)cc1F 752787073 WQQYCPHHVQGNTR-JOCHJYFZSA-N 437.927 5.060 30 20 IKED CC(=NNc1cc(C(F)(F)F)ccc1F)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 753946972 NAOQQAAINBVRML-UHFFFAOYSA-N 442.356 5.017 30 20 IKED C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 755607931 AOHCQYVUFHPDSW-MEODZPNASA-N 431.395 5.503 30 20 IKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1ccccc1SCC=C(C)C 759230758 HUPFSKFNZDOZFK-GOSISDBHSA-N 438.549 5.072 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 763510827 LQBLDMZUSXTYIO-HLLBOEOZSA-N 445.560 5.285 30 20 IKED N#CC1CCN(Cn2nc(-c3ccccc3F)n(-c3ccc(Cl)cc3)c2=S)CC1 764945495 HSAWCRMHIJJYOL-UHFFFAOYSA-N 427.936 5.056 30 20 IKED COc1cc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)ccc1F 765619029 WFNGWWSMOCXJLC-POHAHGRESA-N 430.888 5.525 30 20 IKED N#CCCCn1cc(C(=O)N2CCCCC[C@@H]2C[C@H](O)c2ccccc2)c2ccccc21 768060849 SSMWEWPGRJPEQR-GJZUVCINSA-N 429.564 5.454 30 20 IKED CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cn(CCCC#N)c2ccccc12 769545901 DIIHZJAGBIWRMA-MOPGFXCFSA-N 431.536 5.643 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccccc1NCc1cccnc1 776100159 INDYLLYCSOPSBD-UHFFFAOYSA-N 442.306 5.022 30 20 IKED C[C@H](NC(=O)c1ccccc1N(C)C(=O)c1ccco1)c1ccc(-c2cccc(C#N)c2)cc1 782828721 HFUSBZHBRQDRNA-IBGZPJMESA-N 449.510 5.586 30 20 IKED C[C@H](OC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nnc(-c2ccc(F)cc2)o1 783681908 GRLRHRDEGVVLBE-INIZCTEOSA-N 443.434 5.244 30 20 IKED CC(C)CCOc1cccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 783913428 AMKJCDBFQKGNHN-RUZDIDTESA-N 441.531 5.344 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)Nc1ccc(SC(C)(C)C)cc1 784258756 WLLSWWSMDANDKW-OAHLLOKOSA-N 427.595 5.406 30 20 IKED N#C[C@@H](COC(=O)c1csc(-c2cccs2)n1)Cc1ccccc1Br 786636861 FXJIZSCGUNKVQS-LBPRGKRZSA-N 433.352 5.173 30 20 IKED CC[C@@H](NC(=O)[C@@H](C#N)C(=O)c1sc2nc(C(F)(F)F)ccc2c1C)c1ccccc1 787039511 GVRDXTMKJGGDRK-JKSUJKDBSA-N 445.466 5.214 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCc1ccccc1NC(=O)OC(C)(C)C 790667447 BBXWJSVFXAYAPC-KRWDZBQOSA-N 439.581 5.999 30 20 IKED O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccncc1)c1nc(Br)ccc1F 794969314 HYINFVWUEHEDAE-SOFGYWHQSA-N 449.283 5.127 30 20 IKED C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccc(C(F)(F)F)cc1 798816782 OXWIKICZLXKYNE-MEDUHNTESA-N 442.409 5.471 30 20 IKED C=C(C)Cn1c(SCC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1-c1ccncc1 799887904 GAJQPAIGNZWRGV-SFHVURJKSA-N 443.617 5.046 30 20 IKED N#Cc1ccccc1N=c1scc(-c2cnccn2)n1[C@H]1CCO[C@H](c2ccccc2)C1 803182474 XSPCGZICJZIAJE-RDPSFJRHSA-N 439.544 5.203 30 20 IKED N#C[C@@H](C(=O)CCSc1cccc(Cl)c1)c1nc(O)c2c3c(sc2n1)CCCC3 808978284 JAVHZLDRRQIEPN-HNNXBMFYSA-N 443.981 5.288 30 20 IKED C[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1ccc(N2CCCOC2=O)cc1 817306838 DAPHCTQSHOEUBN-SFHVURJKSA-N 425.488 5.063 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1cccc(C)c1 855522726 WUIQCKYJSPOPRA-HXUWFJFHSA-N 445.592 5.175 30 20 IKED Cc1ccc(-c2ccc(C=Nn3cnc4sc(C)c(-c5ccccc5)c4c3=O)o2)cc1 912791433 OKUHRJMBFCQERG-UHFFFAOYSA-N 425.513 5.884 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccccc2)n1)c1nc(-c2ccc(Cl)cc2)cs1 915101814 LOWLNBGQAVZHDT-SFHVURJKSA-N 435.961 6.006 30 20 IKED CC(C)CCOc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916909023 OTDCELKGRBUFHG-QHCPKHFHSA-N 442.515 5.865 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)n1Cc1ccccc1 916944862 ORSDCVZLQSOTBI-NRFANRHFSA-N 440.330 5.421 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccccc3Br)n2)cc1 916973967 BCWKBDJFRWUHAI-KRWDZBQOSA-N 425.351 5.690 30 20 IKED Cc1ccccc1-n1ccnc1SCC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917045941 DHCNMOWYTUSECW-HNNXBMFYSA-N 438.965 5.412 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(Cc2ccccc2)[C@H](C)C2CC2)c1=S 917438517 XMYKHTHPOUHGKT-LJQANCHMSA-N 434.609 5.534 30 20 IKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)Cc1coc2cc(C)c(C(C)C)cc12 917504930 HOFORDGLORTQNZ-HXUWFJFHSA-N 448.519 5.121 30 20 IKED COc1ccc(OCc2nc(/C=C\C(=O)c3sccc3Br)cs2)cc1 920066283 WFECOEBRUSGWPX-UQCOIBPSSA-N 436.352 5.451 30 20 IKED CC1(C)CC(C(=O)NC2(c3ccc(NC(=O)CCc4ccc(C#N)cc4)cc3)CCC2)C1 1785797744 IWNNBSIKCAQPSM-UHFFFAOYSA-N 429.564 5.061 30 20 IKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(F)ccc4s3)cc2)CCC1 1789291743 MRSRUPSJIIFZFK-CYBMUJFWSA-N 428.554 5.106 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1789458264 SJVRCDCBQSZAHX-DEOSSOPVSA-N 427.548 5.269 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5[nH]ccc5s4)CCC3)cc2)c1 1790257241 NRITTWOVEJFZIL-UHFFFAOYSA-N 440.528 5.163 30 20 IKED Cc1ccncc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792123440 AKPFZYPBHSDTIM-IBGZPJMESA-N 438.531 5.079 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@H](C)c3ccc(OC)cc3)C2)CC1 1805322487 RPQVNMFEABWEJH-OAQYLSRUSA-N 440.628 5.022 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3ccoc3c2)[C@H]1c1cccnc1 1812144637 HNLMDCFAPBXZPQ-ISKFKSNPSA-N 445.563 5.140 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)s2)[nH]n1 1814827544 RYOGZTIGASCDMK-INIZCTEOSA-N 432.977 5.199 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(C)c(C)c2)n[nH]1 1815631420 SZDSFQFDROKIQA-GGAORHGYSA-N 434.584 5.030 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3occc3c2)[nH]n1 1819554498 CZKUXPFADPFKKK-FQEVSTJZSA-N 434.540 5.454 30 20 IKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Cc3ccc(F)cc3)c2)CC1 1830451048 WCTPKYPGDPWXBG-SANMLTNESA-N 448.582 5.226 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(F)c2)CC1 1830485135 PNELRAUGUDGVSI-NZQKXSOJSA-N 446.994 5.481 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cccc(F)c3s2)CC1 1831369617 GJPPUZQTJIVEAS-LAUBAEHRSA-N 442.600 5.486 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832632549 STMGTQNHURZRQL-OFVILXPXSA-N 449.639 5.539 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1ccc(Oc3ccccc3)cc1)C2 1844357037 RNIKIOQUVQANFQ-UHFFFAOYSA-N 432.564 5.288 30 20 IKED CC(=O)Nc1ccc(/C=C(/C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cc1 18065105 AXTUJAYJJHUREM-PXLXIMEGSA-N 446.934 5.820 30 20 IKED COc1ccc(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccc(C(C)(C)C)cc2)cc1 22731290 CJFORTYSRODSEB-UHFFFAOYSA-O 439.626 5.701 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(OCC)cc2)cc1 22731410 JEJYNYKUDREFFZ-UHFFFAOYSA-O 439.626 5.746 30 20 IKED N#Cc1ccsc1NC(=O)COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 28614335 JFHWMODHFNTRNX-UHFFFAOYSA-N 430.407 5.101 30 20 IKED C[C@H]1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C[C@@H](c2ccccc2)O1 63109893 CGYYWNNRXNBWTB-CYFREDJKSA-N 428.557 5.453 30 20 IKED CC(C)(C)OC(=O)CCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O 114085680 RUJWQYZAHOPUQT-UHFFFAOYSA-N 439.593 5.397 30 20 IKED CCN(Cc1ccccc1)c1ccc(/C=C\C(=O)c2ccc(S(C)(=O)=O)c(OC)c2)cc1 212070003 JVQHVBMPVRJXNO-VBKFSLOCSA-N 449.572 5.021 30 20 IKED O=C(c1ccc(F)cc1)C1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 217769571 ABKHQMJHVQNQRI-UHFFFAOYSA-N 447.350 5.598 30 20 IKED CC1(C)OB(c2ccc3cc(-c4cc5ccccc5c5ccccc45)ccc3c2)OC1(C)C 261508915 YGTCQKJWVWZQQD-UHFFFAOYSA-N 430.356 7.112 30 20 IKED N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1 302852153 ZETMRIPFMPZLFR-VWLOTQADSA-N 448.526 5.031 30 20 IKED CSc1ccc(-c2csc(NC(=O)c3occc3COc3cccc(C#N)c3)n2)cc1 303177195 SEDCDWCSZDZVCG-UHFFFAOYSA-N 447.541 5.828 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(F)cc3OCC(F)(F)F)c2)cc1 303655537 UXLZGNDYWHNCEF-UHFFFAOYSA-N 430.357 5.683 30 20 IKED CCCn1nccc1C1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 410287264 XRICLLSGFQALMV-UHFFFAOYSA-N 448.954 5.630 30 20 IKED O=C(Nc1ccc(Br)cc1C(F)(F)F)c1ccc(F)cc1C(F)(F)F 429006994 IYLNJNUFZMNOMW-UHFFFAOYSA-N 430.117 5.878 30 20 IKED COc1ccc(Br)c(CN(C)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 429740272 SUJRZAJBJCZURZ-AWEZNQCLSA-N 448.386 5.373 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3c(-c4ccncc4)nc4ccccn34)c2)cc1 430639558 POSYEPMBIQDMGX-UHFFFAOYSA-N 431.455 5.313 30 20 IKED CCCOc1ccc(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(C)c1 437235194 JGAFBNFMUBQADG-UHFFFAOYSA-N 429.476 5.025 30 20 IKED C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 437894673 YJJPGJIFWBSAPW-OSPHWJPCSA-N 442.494 5.565 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H](COCc3ccccc3)C2)cc1F 438669048 HEJJKZMFGACLGE-FQEVSTJZSA-N 445.494 5.560 30 20 IKED COc1ccc(C[C@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)c2ccccc2)cc1OC 438862306 VGNUOKJWMDJPOV-ZEQRLZLVSA-N 443.547 5.332 30 20 IKED CC(C)n1cnnc1-c1ccccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 439641437 BSGAVLGQLMOZCI-UHFFFAOYSA-N 437.503 5.637 30 20 IKED C[C@H](Nc1ccc(Oc2ccc(Cl)cn2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 439647117 VKXRBFYJDBYQNR-ZDUSSCGKSA-N 438.940 5.388 30 20 IKED COc1cc(OC)c(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1Cl 440578817 GRXDADITJOXLGW-UHFFFAOYSA-N 437.883 5.452 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)c1ccc(C(F)(F)F)cc1 442224155 GUQVFWDNVNYBDV-LJQANCHMSA-N 433.474 5.297 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2cccc(Sc3cccc(Br)c3)n2)n1 442595706 GSNKITVUHCJEPM-CQSZACIVSA-N 430.352 5.250 30 20 IKED O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444047765 GVIOILJTUUETHJ-AWEZNQCLSA-N 439.287 5.568 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC(CO)(Cc4ccccc4)CC3)cc2)cc1 444626308 NBISXHPOSGDXIO-UHFFFAOYSA-N 440.543 5.002 30 20 IKED Cc1ccccc1[C@H](CC(F)(F)F)NCC(=O)Nc1ccccc1S[C@@H](C)CC#N 444779430 YIZKSGLMNJZAHI-LPHOPBHVSA-N 435.515 5.611 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cc([C@H]2CCCOC2)nn1C)c1ccc(C(F)(F)F)cc1 448083027 YCTDCIZNGMHACP-FUHWJXTLSA-N 436.478 5.162 30 20 IKED C[C@H]1CN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c2ccccc2NC1=O 460111948 QECLJYOQTWFNHO-HNNXBMFYSA-N 431.879 5.239 30 20 IKED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(Cc1cccs1)Cc1ccccc1OC 460773862 VWVULJQGAOBPDT-PGRDOPGGSA-N 438.597 5.229 30 20 IKED C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H]1c1ccc(Br)s1 460929633 QUPXOFJCTRIQRM-OAHLLOKOSA-N 430.375 5.082 30 20 IKED C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 460930480 IMBJFVFRZACCAZ-FQEVSTJZSA-N 428.367 5.488 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCCc2c1[nH]c1ccc(Br)cc21 461706131 KHYBNPSHNDBQOP-FQEVSTJZSA-N 437.341 5.021 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](c1nc(C)cs1)C1CC1 466089843 CAAHGPDOKASBRS-QGZVFWFLSA-N 438.366 5.202 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 466118181 IVQAQTMFXRVWLE-UHFFFAOYSA-N 433.458 5.527 30 20 IKED Cc1c(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)ccc(C(F)(F)F)c1F 467872647 VFMFGFQWCRSHCQ-UHFFFAOYSA-N 448.338 5.247 30 20 IKED CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 470612469 NCUGBTDMFMGNTP-PKOBYXMFSA-N 435.877 6.190 30 20 IKED C[C@@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@H](c2ccsc2)O1 470789997 VMWFOJVEROWFKE-HOYKHHGWSA-N 447.560 5.387 30 20 IKED Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 471847976 POYCDAKGMZMAIF-YUVSOPLDSA-N 443.551 5.184 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(O)(Cc4cccc(F)c4)CC3)c2)cc1 473668726 XUQSMYWIMGDNAY-UHFFFAOYSA-N 445.494 5.091 30 20 IKED CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 475329022 SXOPCBJULSMPLM-UHFFFAOYSA-N 443.513 5.243 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(CCCOc1ccccc1)C1CCOCC1 475569831 QYFHDPFCMYOGPD-UHFFFAOYSA-N 436.596 6.021 30 20 IKED C=CCOc1c(Br)cc(CNc2ccc(C)c(NC(=O)N(C)C)c2)cc1OC 475704052 XVHPXKKNLBLWKG-UHFFFAOYSA-N 448.361 5.037 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CCSc1ncnc2sc(C)c(C)c12 476790755 RRIKGWNGDYAJKI-UHFFFAOYSA-N 425.623 6.281 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCc2cc(-c3ccccc3)oc2C1 477051455 PIIRPEQMNQFNSU-GOSISDBHSA-N 431.561 5.195 30 20 IKED Oc1nc(COCC(F)(F)C(F)F)nc2ccc(-c3cccc(C(F)(F)F)c3)cc12 478243186 GBUZUMLPXZEKDH-UHFFFAOYSA-N 434.311 5.438 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccc(F)cc2F)cc1)c1nc2ccccc2n1C(F)F 483256034 XDSZYPFMYIQPRQ-MRXNPFEDSA-N 439.368 5.992 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCN(C4CC4)c4ccc(Cl)cc43)cc2)nc1 484339547 GKJGFLABUSDDRT-UHFFFAOYSA-N 430.895 5.028 30 20 IKED CCN(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@@H](C)Cc1ccccc1C(F)(F)F 484702444 KVBCDQWUCNRPDN-HNNXBMFYSA-N 427.426 5.325 30 20 IKED Cc1nc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c(-c2ccccc2)s1 487715172 MNDAINVUEHNYQR-UHFFFAOYSA-N 449.586 5.386 30 20 IKED C=CCn1c(SCCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1cccs1 489441447 DQUMAONKTUQPGF-UHFFFAOYSA-N 438.500 5.332 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)c1nnc(-c2cccs2)o1 489693046 WSDMXIJBVUUYIF-AWEZNQCLSA-N 425.539 5.008 30 20 IKED C[C@H](Nc1cccc(COCCc2ccccc2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 495517862 TZLXPDCUMFMTHK-SFHVURJKSA-N 445.588 5.307 30 20 IKED C[C@H](NC(=O)C1CCC(OC[C@H]2CCCO2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 498945450 BHVCYSXTSKLCDJ-PWHVSVGCSA-N 432.564 5.157 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(F)c(OC)c(F)c1 502673420 ZXFIEEBVPZOZNM-UHFFFAOYSA-N 429.236 5.095 30 20 IKED N#C[C@@H](C(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1nc(-c2ccccc2)cs1 502749026 LQQNKYKWCBVJJK-KRWDZBQOSA-N 438.434 5.505 30 20 IKED Cc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)nn1-c1cccc(C#N)c1 503354007 RKJCTWQUHMXBFA-UHFFFAOYSA-N 437.434 5.108 30 20 IKED C=CCn1c(-c2cccc3cccnc23)nnc1N(C)Cc1ccc(SC)c(OC)c1 508481650 SSNMJTJKMVTVKZ-UHFFFAOYSA-N 431.565 5.046 30 20 IKED CCN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)C[C@H](C)C2 509230280 RYEROGVAIYSEOU-ONZPZFSWSA-N 425.532 5.352 30 20 IKED O=C(Cn1c(C(F)(F)F)nc2ccccc21)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 509333291 YHNYVUHHOWJMGL-AWEZNQCLSA-N 433.327 5.004 30 20 IKED CCN(C(=O)Cc1c(C)nn(-c2ccc(C)c(Cl)c2)c1C)[C@@H](C)c1ccc(C#N)cc1 509577089 ZVANFSALBVBFMX-SFHVURJKSA-N 434.971 5.475 30 20 IKED C[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1ccc(OC(F)F)cc1 510208892 FLNOYBDBEQGKHQ-CQSZACIVSA-N 425.460 5.341 30 20 IKED C[C@@H](NCc1ccc(NC(=O)CCCOc2ccccc2)cc1)c1ccc(C#N)cc1F 512652558 ALJJNHAMEXPENA-LJQANCHMSA-N 431.511 5.346 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2csc(-c3ccc(Cl)s3)n2)cc1 512801492 MGKAVIAAYKBFRY-UHFFFAOYSA-N 443.981 5.592 30 20 IKED C[C@H](NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccc(Oc2cccnc2)cc1 514170412 QQUFSPWOLRZXGO-LQGLAIQGSA-N 426.520 5.416 30 20 IKED COCC[C@@](C)(C#N)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1Cl)CC2 514755725 NURDTTRWYLOTDN-GOACCAMTSA-N 445.950 5.424 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(CNC(=O)NC(C)C)cc1 516649763 MFAFLMQDPPYYOE-UHFFFAOYSA-N 442.519 5.119 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 517457334 MYSUQBZFWMXYDD-ZDUSSCGKSA-N 444.969 5.373 30 20 IKED N#C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1cccc(Cl)c1Cl 518207410 IZAJDZYLKJDZRD-INIZCTEOSA-N 436.751 5.694 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1nc(-c2ccc(Cl)cc2)cs1 520910382 LVBSCGDNZJDJFC-QGZVFWFLSA-N 449.879 5.047 30 20 IKED Cc1cc(-c2noc(CN[C@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)n2)ccc1F 537218482 CTQMMKPEZICVKT-MRXNPFEDSA-N 433.327 5.596 30 20 IKED N#CC1(c2ccc(C(=O)Nc3ccnc(Oc4ccccc4Br)c3)cc2)CC1 537419272 VRHIELZLTIMETN-UHFFFAOYSA-N 434.293 5.444 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(Br)cc2)nc1)c1nc2ccccc2[nH]1 537666918 YSSRCQBNWSOTHN-INIZCTEOSA-N 433.265 5.003 30 20 IKED N#CC1(c2ccc(C(=O)N3CCCC[C@H]3C(=O)Nc3ccc(Cl)cc3Cl)cc2)CC1 538533926 GRIRDHOGSRKCCR-FQEVSTJZSA-N 442.346 5.182 30 20 IKED CC(C)(C)OC(=O)c1ccc(Br)c(NC(=O)c2ccc(C3(C#N)CC3)cc2)c1 542565836 BOZIDMCFKXLYDU-UHFFFAOYSA-N 441.325 5.212 30 20 IKED CCC[C@@H](NC(=O)c1ccccc1)c1noc(-c2ccc(Oc3ccc(C#N)cn3)cc2)n1 546474123 RWYNMVJXEZOFSQ-OAQYLSRUSA-N 439.475 5.067 30 20 IKED COc1cc(C#N)ccc1NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 547418622 CPFFCTVANLOSMB-UHFFFAOYSA-N 439.880 5.532 30 20 IKED O=S(=O)(Cc1ccc(F)cc1F)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 548043802 MIPDRTWKYBOSDU-OAHLLOKOSA-N 447.347 5.097 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC(C)(COC)CC1 549293322 JLJHZAQHPOCKDQ-UHFFFAOYSA-N 446.595 5.353 30 20 IKED Cc1cccc(CN(C)C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C 551327069 NEEIDBIGOFWAJY-QHCPKHFHSA-N 445.950 5.209 30 20 IKED C[C@@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(-c2ccc(F)cc2)cc1 554601015 FWUQGVHOHQAYPE-LJQANCHMSA-N 428.511 5.216 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 555813318 AXHMRFVCLSFXKW-UHFFFAOYSA-N 427.430 5.205 30 20 IKED C[C@@H](NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccc(C#N)cc1 556405233 UYRKJKFFICQTDE-QVKFZJNVSA-N 431.458 5.105 30 20 IKED C=C(C)CN(Cc1cccc(NC(=O)c2ccccc2Cl)c1)Cc1cnn(C(C)C)c1 561975488 XHLJMCUUMRBTJB-UHFFFAOYSA-N 436.987 5.948 30 20 IKED C=CCn1c(-c2ccc3ccccc3c2)nnc1N1CCC(c2ncc3n2CCCC3)CC1 562020645 YRJKNQDRHAVVLA-UHFFFAOYSA-N 438.579 5.201 30 20 IKED C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CC[C@@H](C(F)(F)F)C(C)(C)C1 566986534 HDESNKVBQHZDTF-BBWFWOEESA-N 428.543 5.188 30 20 IKED COc1ccc([C@H](CCC#N)N[C@@H]2CCCc3c2[nH]c2ccc(Br)cc32)cc1 572319136 IBHRADGLFQJEAC-RBBKRZOGSA-N 438.369 5.951 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC(COc3ccccc3)C2)cc1Cl 572640424 LBQNYFSCVHYQKP-HSZRJFAPSA-N 431.923 5.538 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)CCSc2cccc(Cl)c2)c1C#N 574786339 FCPXOCGPQPNYDD-UHFFFAOYSA-N 428.970 5.240 30 20 IKED C[C@H](Cc1cncc2ccccc12)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 580475565 CNNLAJSIVCIEDI-HXUWFJFHSA-N 437.518 5.653 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)CC1 583642771 VHWUKGAISFTIEQ-UHFFFAOYSA-N 431.923 5.012 30 20 IKED C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 589051402 KMCCDDMEDMGHSK-DCAQKATOSA-N 437.302 5.062 30 20 IKED C=C(C)COc1cccc(NC(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)c1 589739549 TYVIPTSVWBHZCB-UHFFFAOYSA-N 433.483 5.355 30 20 IKED N#Cc1c(F)cccc1CN1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 589984703 HTRCVRKKMPKYBE-VWLOTQADSA-N 434.559 5.386 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ccc(N2CCc3sccc3C2)nc1)c1ccccc1 590105005 KKGMGIQGNLGGKU-OAQYLSRUSA-N 431.565 5.262 30 20 IKED COc1cccc(/C=C(\CC(=O)Nc2sccc2C#N)c2nc3ccccc3s2)c1 603451905 HRPIVYRXIXAITP-GZTJUZNOSA-N 431.542 5.807 30 20 IKED C=CCn1c(SCc2csc(C(=O)OCC)n2)nnc1-c1ccc(C(C)(C)C)cc1 603601065 DGQZAMFHIUBARF-UHFFFAOYSA-N 442.610 5.354 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc(Cl)ccc3Br)cn2)cc1 603764915 QPKQCTIDDHBBPV-UHFFFAOYSA-N 428.673 5.414 30 20 IKED CCc1cc(C#N)c(NC(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)s1 604028975 BTOZWCJYBAIXEM-UHFFFAOYSA-N 429.954 5.710 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccccc4)C3)cc2Cl)cc1 604090334 VABPLRDDOPUWJM-HSZRJFAPSA-N 433.895 5.609 30 20 IKED N#Cc1ccccc1CSCCNC(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 604125417 SFDGYDDTJLKURZ-UHFFFAOYSA-N 433.499 5.184 30 20 IKED O=C(Nc1ccc(F)c(Br)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 608336438 ONSNIPHVZSVERU-OCAPTIKFSA-N 437.153 5.183 30 20 IKED Cc1noc2nc(C(C)C)cc(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)c12 609173259 NLRNDZKTJQKFFI-QHCPKHFHSA-N 440.503 5.228 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN([C@H](C)c2ccccc2Cl)CC1 609434810 RZGCJWJAGFQDQF-ZWKOTPCHSA-N 443.016 5.645 30 20 IKED N#Cc1cnc(N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c(Cl)c1 609511907 WBDGKGYEVZJRMD-QFIPXVFZSA-N 437.975 5.300 30 20 IKED COc1ccccc1-c1cccc(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1 609555750 ITCXISZLTLOXOK-UHFFFAOYSA-N 441.531 5.746 30 20 IKED N#Cc1ccccc1CSCCNC(=O)N1CCc2sccc2[C@H]1c1cccs1 609639411 MRLNWIRZLLLCLV-NRFANRHFSA-N 439.631 5.272 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3cccc(NC(=O)c4ccncc4)c3)c2)c1 609641888 DVEHVCYWSTWWDA-UHFFFAOYSA-N 448.482 5.037 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)cc1 609928946 NCEXAAWSZRDSJD-FXAWDEMLSA-N 445.494 5.908 30 20 IKED Cc1cc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)ccc1OCC(F)(F)F 609976302 FPAQAJSWQMETOA-UHFFFAOYSA-N 430.382 5.232 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)c1C 610054228 DLFQIJPJWOPFOI-AWEZNQCLSA-N 429.307 5.074 30 20 IKED C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)cc1 610635233 RTIIMQDURLETRI-MSOLQXFVSA-N 429.545 5.227 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)c1cccc(C#N)c1 610635895 NTMKSFXOXPATCX-CQSZACIVSA-N 438.940 5.086 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1sc(-c2ccccc2)nc1C(F)F 611184932 DBUJUXLBZJQBSG-UHFFFAOYSA-N 437.496 6.600 30 20 IKED C[C@@]1(C#N)CCCN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 612365816 AIPDMQZPLQDLIW-FTCDTSOASA-N 446.532 5.287 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC[C@H]1c1ccc(F)cc1 612804434 KOTSIQMWWKKDTF-XNISGKROSA-N 426.376 5.582 30 20 IKED Cc1cc(C)n(-c2ccc(-c3noc(CNc4ccc(C#N)cc4)n3)c(C(F)(F)F)c2)n1 612916800 CESIRBFSVGMUMQ-UHFFFAOYSA-N 438.413 5.042 30 20 IKED C=CCn1c(SCCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1ccc(F)cc1 644506878 ANPIMKXCCRFDSH-UHFFFAOYSA-N 434.899 5.184 30 20 IKED Fc1ccc(OCc2nc(CN3C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)cs2)cc1 674461686 BOFUXBWVMUFNNX-KBPBESRZSA-N 428.373 5.034 30 20 IKED COc1cc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1OCC(F)(F)F 678208393 PCCFOEOVYBDGNC-RYUDHWBXSA-N 439.318 5.199 30 20 IKED COc1ccc(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1[N+](=O)[O-] 727664571 URFSKBMAFHGVEI-LJQANCHMSA-N 435.867 5.093 30 20 IKED COC(=O)c1occc1/C=C/C(=O)c1sc(-c2ccc(Br)cc2)nc1C 727780325 LHFGKQYIUOZDRJ-VMPITWQZSA-N 432.295 5.157 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1)C(=O)Nc1ccccc1C#N 728061935 BPGLNYGVQXZOCM-MRXNPFEDSA-N 439.437 5.595 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccnc3SC(F)F)cc2F)c1 728193414 QRHWSCUIMFGYQE-UHFFFAOYSA-N 429.423 5.238 30 20 IKED N#C[C@H](NC(=O)Cn1c(SC(F)F)nc2ccccc21)c1c(Cl)cccc1Cl 730092521 JXJXVULKRFLBHT-ZDUSSCGKSA-N 441.290 5.039 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 731060437 VMGNCXOVELCLOZ-LJQANCHMSA-N 444.556 5.472 30 20 IKED CC(C)(C)OC(=O)NC1(c2noc(-c3cccc(Oc4ccc(C#N)cc4)c3)n2)CCC1 731807552 IBSCHBKZVCXXEM-UHFFFAOYSA-N 432.480 5.304 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)CCCCOc3cccc(C#N)c3)ccc21 731990353 CRIFXODZUBSZMC-UHFFFAOYSA-N 449.551 5.434 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 732709188 YVNHYDLOMXLTMX-SFHVURJKSA-N 426.806 5.372 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)ccc1OC 733654523 SFJOQSPFWAIAPE-WOJBJXKFSA-N 427.932 5.076 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)c1 733845687 VWSUAQSHDDQVRE-INIZCTEOSA-N 427.373 5.343 30 20 IKED Cc1nc(CSc2ccccc2C(=O)OCc2cc(Cl)ccc2OCC#N)cs1 735336191 GUUWSHBSWZZQSZ-UHFFFAOYSA-N 444.965 5.657 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCSc2ccc3c(c2)OCCO3)cc1 737501439 BIXWJAOGZNAPHX-QFIPXVFZSA-N 430.529 5.234 30 20 IKED CC(C)c1ccc(/C=C\C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1[N+](=O)[O-] 741447139 HYCQFXAWHWXMQO-ZSOIEALJSA-N 427.522 5.331 30 20 IKED C[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nc(-c2ccc(Cl)cc2)no1 742934862 HSDYRHOEGJPOAY-OAHLLOKOSA-N 444.878 5.545 30 20 IKED CCN(CC)c1ccc2cc(C(=O)/C=C\c3ccc(Oc4cnccn4)cc3)c(=O)oc2c1 743055981 AQGDHLDTRAJMLE-GHXNOFRVSA-N 441.487 5.118 30 20 IKED N#C[C@@H](C(=O)C[C@H](Cc1ccccc1)c1ccccc1)c1nc2ccccc2n1C(F)F 744038622 XGLDEGAYRGBOOM-SFTDATJTSA-N 429.470 6.024 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1NC(=O)OC(C)(C)C 744062217 HDJDBLNOYNGOPS-KRWDZBQOSA-N 434.521 5.351 30 20 IKED N#Cc1ccc([C@H](OC(=O)c2ccc(Oc3ccc(Cl)cc3Cl)cc2)C(N)=O)cc1 745766577 BEXRZLLKJYHPSV-FQEVSTJZSA-N 441.270 5.041 30 20 IKED C[C@H](OC(=O)c1ccc(Oc2ccccc2Cl)nc1)C(=O)N(CCC#N)c1ccccc1 747028783 FYAWQBJAOQIHKF-KRWDZBQOSA-N 449.894 5.019 30 20 IKED COc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2cnc(-c4ccncc4)s2)CC3)cc1 753143798 IGHKLOAGTOLCCN-VBKFSLOCSA-N 431.542 5.550 30 20 IKED C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 754159657 ZYMAMHZGLUGGAD-VLGSPTGOSA-N 427.460 5.282 30 20 IKED Cc1sc2ncn(N=Cc3nc(-c4cc(Cl)ccc4Cl)cs3)c(=O)c2c1C 755517961 FFFQXBZPDAZJKU-UHFFFAOYSA-N 435.361 5.387 30 20 IKED CC(C)[C@H](C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(F)cc1 756377597 NLJKYGDPVQIMRS-AOMKIAJQSA-N 428.529 5.141 30 20 IKED CC(=NOCc1nc(C)c(-c2ccc(Cl)cc2)o1)c1nc2ccccc2n1C(F)F 759108827 AJNSHLBJOPSPPP-UHFFFAOYSA-N 430.842 5.989 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=S)Nc1ccc(C#N)c(Cl)c1 759130872 YOAJAZLJVWGZJI-CQSZACIVSA-N 426.998 6.033 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN(CC(C)C)[C@H]2CCCc3cccnc32)c1=S 774611501 JVAFVPFZRUVYPT-NRFANRHFSA-N 434.613 5.050 30 20 IKED C=CCC[C@@H](NCc1cc(=O)oc2cc(NC(C)=O)ccc12)c1ccc(C(F)(F)F)cc1 775553073 KUNHJBNHKLBADG-OAQYLSRUSA-N 444.453 5.567 30 20 IKED CC(=O)N(c1nc(/C=C2/CCc3ccc(F)cc3C2=O)cs1)c1ccc(F)cc1F 776191077 AWJVIICGWKAWRU-ZSOIEALJSA-N 428.435 5.458 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c1 779103866 GBTDYRJUSLAUIW-IBVKSMDESA-N 448.950 5.671 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)n1 780402791 MOYIYSHBTKHCRA-CTNGQTDRSA-N 433.533 5.110 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C(=O)Nc2ccc3ccccc3c2)cc1 783452499 DSROPKSNOGCFBE-UHFFFAOYSA-N 437.474 5.018 30 20 IKED CC(=NNc1nnc(-c2ccccn2)s1)c1sc(-c2ccc(Cl)cc2)nc1C 788029456 FNHWTXQQMJTYDO-UHFFFAOYSA-N 426.958 5.522 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1 789890577 SHBIJNBYZWDPTM-UHFFFAOYSA-N 447.623 6.132 30 20 IKED N#C[C@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1cnc2ccccc2n1 792111107 WERRXBUFTLIZME-ZDUSSCGKSA-N 426.423 5.067 30 20 IKED CC(C)(C)OC(=O)NC1[C@H]2CCC[C@H]1CC(C(=O)[C@H](C#N)c1nc3ccccc3s1)C2 796753375 LDPMSIXPBYDWRN-FIAFPZFSSA-N 439.581 5.192 30 20 IKED COc1cc(/C=C2\Cc3nc(Cl)ccc3C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 806579538 JQFICPNHXSXDKQ-MHWRWJLKSA-N 436.851 5.053 30 20 IKED Cc1ccc(-c2nnc([C@H](C)OC(=O)c3ccccc3N/C=C\C(=O)C(F)(F)F)o2)cc1 809684478 DEDVCYVAKDZIQN-NYHXXUGCSA-N 445.397 5.020 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C\c2cnn(CC(F)F)c2)C(=O)c2ccccc2)c(Cl)c1 814187992 UKKFWUWFOSRUJZ-ZDLGFXPLSA-N 443.881 5.323 30 20 IKED CC(C)(C)OC(=O)NC1[C@H]2CCC[C@H]1CC(C(=O)N[C@@H](CCCC#N)c1ccccc1)C2 817319605 PYNXVPCJTRBAEU-FEGSXJMISA-N 439.600 5.257 30 20 IKED Cc1nc(C)c2c(C)c(C=Nn3cnc4sc(C)c(-c5ccccc5)c4c3=O)sc2n1 874063445 KORFCIOQWVQDLR-UHFFFAOYSA-N 445.573 5.246 30 20 IKED Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)s1 915085878 PJXDPMYEGKLPSR-HSZRJFAPSA-N 444.556 5.663 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915086465 VLPAHBPFMPFLQR-HSZRJFAPSA-N 441.531 6.089 30 20 IKED Cc1csc(SCc2c(C(=O)[C@H](C#N)c3nc4ccccc4o3)oc3ccccc23)n1 915104521 GGKVLEUFKCSGSC-HNNXBMFYSA-N 445.525 6.121 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(NC(=O)C2CC2)cc1 915354190 WTZRMLZNUBWSFB-BVZFJXPGSA-N 438.531 5.573 30 20 IKED O=C1N/C(=N/C2CCCC2)S/C1=C/c1csc(-c2cccc(Br)c2)n1 915857353 XFZFBEHVVGNIHM-OQLLNIDSSA-N 434.384 5.075 30 20 IKED CC(C)(C)c1ccc(OCC(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 916882782 CPEOAPLPWZTHBE-SFHVURJKSA-N 432.492 5.025 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(SC(F)(F)F)cc1 916888013 SIGSRPLUQOEGCE-AWEZNQCLSA-N 446.422 5.574 30 20 IKED Cc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1 916997274 UTARHKUTAOKKGZ-AWEZNQCLSA-N 449.384 6.326 30 20 IKED Cc1ccc(C(=O)N(C)C)cc1OC(=O)c1ccccc1SCc1ccc(C#N)cc1 917054561 QXUHBHSHRZCBCA-UHFFFAOYSA-N 430.529 5.080 30 20 IKED CCCOc1cc(/C=C\C(=O)c2cnc3sc(C(=O)OC)c(C)c3c2)ccc1OC 918156832 UQFLGFXKHJMPQW-VURMDHGXSA-N 425.506 5.085 30 20 IKED N#CCc1cccc(C(=O)OCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)c1 919314036 NWYLYHMRLMIHCH-UHFFFAOYSA-N 432.090 5.162 30 20 IKED CCN(CC)[C@@H](C/N=C\c1cc(Br)cc(Br)c1O)c1ccco1 921261020 KUDGNJMMRUXWCH-ANQVYJHKSA-N 444.167 5.012 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5c(Cl)cccc45)CCC3)cc2)C1 1785810538 YDWHHOZIIYLNFD-UHFFFAOYSA-N 433.939 5.535 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)CCc3cc(C)cs3)CCC2)cc1 1786364655 LKVUVXLOIFEIPS-UHFFFAOYSA-N 440.609 5.106 30 20 IKED C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1789207996 QADPSRXAWHGZFL-VSADUAAZSA-N 436.577 5.057 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4ccc(F)cc34)cc2)CCC1 1789331650 OZYAGVOSLZXLRO-FQEVSTJZSA-N 446.526 5.218 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc(C(F)(F)F)c1 1800398766 DEVLTHJVKKVXSJ-REPLKXPHSA-N 440.481 5.089 30 20 IKED CC(C)(C#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 1800556292 FXYRVHIYQPKXDR-KOUNCHBCSA-N 437.628 5.083 30 20 IKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(c1)c1ccccc1n3CC)C2 1801637883 VXLRYGHBIBGVNV-UVUJQTEASA-N 443.591 5.278 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1825424427 OCTPZYJNEVFKQH-QFQXNSOFSA-N 447.623 5.436 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)Oc2ccccc2)CC1 1830405502 FHEHKLCCLSUHKT-ZJSXRUAMSA-N 440.628 5.066 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)ccc2F)CC1 1830555126 QXTLDSZEAASESM-URXFXBBRSA-N 426.576 5.136 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCc2cccnc2)CC1 1832334273 CBPSKGJRBIZZJD-DEOSSOPVSA-N 439.644 5.016 30 20 IKED Cc1ccc(NC(=O)COC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(F)c1 9072896 WXNYRQOFPHDYPB-UHFFFAOYSA-N 434.492 5.094 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)=C(/S)Nc1cccc(C)c1C 10167815 VKTCOOQXERCLNM-UHFFFAOYSA-O 448.612 5.352 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cc(C)cc(C)c2)cc1 10172594 LSQOXDGERZPJSU-UHFFFAOYSA-O 425.524 5.482 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)s1)[n+]1ccccc1CC 10174282 WBMJYSJFPIZWIJ-UHFFFAOYSA-O 430.018 5.865 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(O)c2)c1 10174518 PSCPIPCZQHLXDR-UHFFFAOYSA-O 446.379 5.600 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2cccc(Cl)c2C)cc1 11259095 MMGGPMVTMUZYDB-UHFFFAOYSA-O 439.988 5.558 30 20 IKED Cc1ccc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)o2)cc1C 14045070 HCVLWRJTKKGENS-UHFFFAOYSA-N 449.580 5.489 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 17342043 DSMOBSYBFROMAR-UHFFFAOYSA-N 436.949 6.019 30 20 IKED C=CCn1c(SCc2cc(=O)oc3cc4c(cc23)CCC4)nnc1-c1ccccc1OC 21456217 CLYQQKRHJIRCNE-UHFFFAOYSA-N 445.544 5.027 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 22800327 KQLVOZYANAUJJG-UHFFFAOYSA-O 448.008 6.140 30 20 IKED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)Sc2nn(-c3ccccc3)c(=S)s2)CC1 23499968 ZAJCSEKFVXBOLD-RDYUPDBUSA-N 432.640 5.075 30 20 IKED Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccncc3)n2-c2cccc(Cl)c2C)cc1 24700414 BJFRNVJTOOMQAI-FQEVSTJZSA-N 445.979 5.827 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(F)cc2)=C(/S)Nc2ccc(OC(F)F)cc2)c1 28780987 LWJUKWBAEQMFJS-UHFFFAOYSA-O 431.459 5.074 30 20 IKED N#CCc1ccc(NC(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)cc1 62379284 ZZDJOKLFZVHIFA-UHFFFAOYSA-N 431.367 5.189 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1ncc(-c2ccccc2F)o1 72025332 RAMWKUKNUCLSKR-UHFFFAOYSA-N 441.462 6.024 30 20 IKED C[C@H](Sc1nc(-c2ccc(F)cc2)cs1)C(=O)N(CCC#N)c1ccc(F)cc1 218628310 IYYJVSZNYLCIFL-AWEZNQCLSA-N 429.517 5.516 30 20 IKED COc1ccccc1Oc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1 303186240 UMDBMDKUQIGAPA-UHFFFAOYSA-N 440.455 5.783 30 20 IKED N#Cc1cccc(OCCCCC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1 303434324 GNQKRVIGAUQICQ-UHFFFAOYSA-N 431.517 5.293 30 20 IKED CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 303709292 POLIKZGAOMEWBB-WJOKGBTCSA-N 432.545 5.650 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2ccc(C#N)c(Cl)c2)ccc1OCc1ccncc1 410016114 OTXZGEIBGJXIFW-OAHLLOKOSA-N 436.899 5.077 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCc1nc2cccc(C)c2[nH]1 426268978 ROXBTNXDUIIZDM-UHFFFAOYSA-N 426.495 5.357 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c2cnn(Cc3cccs3)c2n1 430638359 FOZDQKAZLYDPKN-MRXNPFEDSA-N 435.578 5.094 30 20 IKED Cc1cccc(CC2(O)CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)c1 432064161 DBUZVACPNQHDKC-UHFFFAOYSA-N 441.531 5.261 30 20 IKED N#CCCC[C@H](NC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccccc1 432695757 NECPPSRYOHNABZ-INIZCTEOSA-N 425.838 5.838 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCCc3cccc(C(F)(F)F)n3)cc2)cc1 432759332 QWVOUALWJHCFEI-UHFFFAOYSA-N 426.398 5.129 30 20 IKED O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)N[C@H](c1cc(F)ccc1F)C(F)F 433213239 CGTISUMMHHGLQQ-CYBMUJFWSA-N 448.298 5.162 30 20 IKED Cc1nc(-c2ccc([C@H](C)NCc3cn(CCC#N)nc3-c3ccncc3)cc2)cs1 433343258 NSXNOMQUFPTSAN-KRWDZBQOSA-N 428.565 5.142 30 20 IKED CCCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 437458526 FKXNVOCPAGNGMW-UHFFFAOYSA-N 445.494 5.614 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1c1cccc(C)c1C 437972439 RWRFJBOARAQBOO-HHHXNRCGSA-N 439.559 6.432 30 20 IKED N#Cc1ccc(NC(=O)NCC2(c3ccccc3Cl)CCOCC2)cc1C(F)(F)F 438648463 KYLUEIDQTNPLNT-UHFFFAOYSA-N 437.849 5.100 30 20 IKED CCOc1cc(Br)c(NC(=O)N[C@H](CCC#N)c2ccccc2)cc1OCC 439312117 BMRHVXVGBDVPIR-QGZVFWFLSA-N 446.345 5.413 30 20 IKED N#CCC[C@H](NC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 439316442 RBGMRALZFBWGOT-QFIPXVFZSA-N 432.911 5.759 30 20 IKED Cc1c(CSC(C)C)cccc1NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 441050388 NTYXOJWGHIEHEH-INIZCTEOSA-N 441.622 5.608 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 441128267 RSRGXNVMBZYHDY-AUUYWEPGSA-N 439.972 5.837 30 20 IKED C=CCC[C@H](NC(=O)Cc1csc(NC(=O)C(C)C)n1)c1ccc(C(F)(F)F)cc1 441541817 NTMODJPOGDDICY-KRWDZBQOSA-N 439.503 5.123 30 20 IKED Cc1ccc([C@H]2NC(=O)N(c3ccc(OCc4cccc(C#N)c4)c(Cl)c3)C2=O)cc1C 445948848 ICGIGEQBSLCXGJ-HSZRJFAPSA-N 445.906 5.205 30 20 IKED N#CCCN(Cc1cccnc1)C(=O)c1oc2ccccc2c1COc1ccccc1Cl 460127139 KQBUBBZDSRZMSX-UHFFFAOYSA-N 445.906 5.616 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)CCN2C(=O)CCc3ccccc32)c1 460344131 WYANYEGLTZXEBY-UHFFFAOYSA-N 443.934 5.114 30 20 IKED COc1ccc([C@H](NC(=O)CCc2ccc(C#N)cc2)c2ccccc2Cl)c(OC)c1 464552157 SDEUOFPHFIDCHX-RUZDIDTESA-N 434.923 5.067 30 20 IKED O=C(c1cc(F)cc(F)c1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469753009 QIVNJSYCGQGIMU-MRXNPFEDSA-N 439.302 5.216 30 20 IKED Cc1ccc(SC2(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)CCCC2)cc1 470771141 DYAFVDNEROALOC-UHFFFAOYSA-N 447.604 5.622 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2ccccc2CSc2nc3ccccc3o2)n1 474429467 ASAOOGWTZYGXNW-QGZVFWFLSA-N 433.558 6.190 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 475567343 WLZYXNAQYVYOBB-MUUNZHRXSA-N 431.624 6.059 30 20 IKED C=CCn1c(S[C@H](C)c2ncc(C(C)(C)C)o2)nnc1[C@H]1COc2ccccc2O1 476506977 MUJQKXYUKMVGAJ-RHSMWYFYSA-N 426.542 5.115 30 20 IKED CC(C)CN(C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1ccc(C#N)cc1 480126926 UEMZKNZSONNAMQ-UHFFFAOYSA-N 445.588 5.884 30 20 IKED Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 480933695 ALAKJHZWRRQEKF-GFCCVEGCSA-N 444.413 5.632 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@@H](CC)c2ccc(Cl)s2)nnc1-c1ccco1 482206706 GYDNNZIWSOGXSE-ZDUSSCGKSA-N 436.990 5.189 30 20 IKED N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)c1cnc2ccccc2n1 483203285 VBOGGGBXJHTZSV-GOSISDBHSA-N 432.505 5.310 30 20 IKED Cc1csc(Sc2ccc(C(=O)[C@H](C#N)c3nccc4ccccc34)cc2[N+](=O)[O-])n1 483211238 NOGBNFVUDLBNDZ-QGZVFWFLSA-N 446.513 5.549 30 20 IKED Cc1cccn2cc(COc3ccccc3C(=O)[C@@H](C#N)c3nccc4ccccc34)nc12 483233005 PNXSJKYCBFOESA-QHCPKHFHSA-N 432.483 5.260 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1ccccc1C 488925065 ITEMMFNKEMULPM-OAHLLOKOSA-N 448.508 5.251 30 20 IKED C=C(C)Cn1c(S[C@@H](C(=O)Nc2ccccc2Cl)C(C)C)nnc1-c1ccncc1 489393779 CSLJUUFHMHYJLX-LJQANCHMSA-N 441.988 5.325 30 20 IKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1Cl)c1cccc(C(F)(F)F)c1 490461970 WSMPEJCZCOWBJU-KRWDZBQOSA-N 437.849 5.073 30 20 IKED COc1ccccc1Oc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 492710581 ZKTVHPGLQJLZNN-HNNXBMFYSA-N 433.533 5.348 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)c2cc(C)n(CC(F)(F)F)c2C)n1 497430350 OFAYNHXSJUHPHE-UHFFFAOYSA-N 435.393 5.236 30 20 IKED CC(C)CCN(CCC#N)C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 505194178 YNHMAVDTBDLBCN-UHFFFAOYSA-N 442.357 5.103 30 20 IKED CC(C)c1c(C(=O)Nc2ccc(C#N)c(Cl)c2)cnn1-c1ccc(C(F)(F)F)cn1 505486739 FLGTUWPZHOVRJW-UHFFFAOYSA-N 433.821 5.187 30 20 IKED CN(C(=O)c1cccc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)c1)c1ccccc1 505540128 LPIPRCRIFWYCGD-FQEVSTJZSA-N 438.314 5.265 30 20 IKED COc1ccc(CNCC(C)(C)c2cccc(Br)c2)cc1OCCCC#N 508044452 BQNRBJUIMVPEMC-UHFFFAOYSA-N 431.374 5.208 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)CCc2ccc(O)cc2)cc1 508262701 BVJDRXUXPUXDEE-QGZVFWFLSA-N 431.492 5.208 30 20 IKED C=CCN(C(=O)C1CCC(NC(=O)C2CCCC2)CC1)c1nc(-c2ccccc2)cs1 508898918 MSYCABZTCBIKDY-UHFFFAOYSA-N 437.609 5.194 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](CSc2ccccc2)C1 508904850 WRSKXNWGAKIRSL-QDSKXPNFSA-N 446.620 5.328 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(OC)c1 510011560 VMQPEUMXEVKUTC-QFIPXVFZSA-N 449.938 5.677 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(OC(F)F)c(F)c2)cc1 511148976 AURHVAWWAKQXRN-UHFFFAOYSA-N 442.462 5.521 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](NC(=O)c1ccccc1)C(C)C 511580991 YKHJGZTZEFKGRI-XMMPIXPASA-N 427.504 5.052 30 20 IKED COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)CSCc1ccc(C#N)cc1 512824719 WONJSNPADQCOMN-UHFFFAOYSA-N 436.508 5.679 30 20 IKED C=CCN(C(=O)c1cc(Cl)cc(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 515327623 BYVMDLCYNKCOIC-UHFFFAOYSA-N 434.304 5.858 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C 518030139 QUHDEXBQAYRODL-UHFFFAOYSA-N 431.580 5.013 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 518033961 ADURDUFPKVTKLI-UHFFFAOYSA-N 443.978 5.521 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@@H](C)C(=O)Nc1ccccc1OC(F)F 518740886 ZRGKRQYNLCMQOA-INIZCTEOSA-N 437.446 5.700 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cc2)nc1 520334421 GUVGZBKOZDAJOD-UHFFFAOYSA-N 446.466 5.449 30 20 IKED Cc1nc(COc2ccccc2C(=O)NC2CCC(Oc3ccccc3C#N)CC2)cs1 521966250 WBEDIAPINCVOIR-UHFFFAOYSA-N 447.560 5.022 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccnc(Oc4ccccc4)c3)n2)cc1 522875725 HMYBJJPVAVIQFL-HXUWFJFHSA-N 427.485 5.496 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](COCC(C)C)c1ccco1 522953447 ZLEXIGTZWRPTHT-HSZRJFAPSA-N 433.508 5.787 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1 524436759 IXHBHDGAJLPJNK-QGZVFWFLSA-N 439.384 5.938 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCSc2c(F)cccc21 524442704 ZGSZNNHACUSXEJ-HSZRJFAPSA-N 447.535 5.943 30 20 IKED CC(C)Oc1ccc(CC[C@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 524565904 JIFUNKLSWIQVCB-OALUTQOASA-N 425.598 5.868 30 20 IKED Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1 532512844 YLNQUSMPAIOQMN-URXFXBBRSA-N 430.939 6.068 30 20 IKED C=CCN(C(=O)c1cc(OCCOC)c2ccccc2n1)c1nc(-c2ccccc2)cs1 534700643 OXSOBWGGZCTBBE-UHFFFAOYSA-N 445.544 5.216 30 20 IKED N#CC1(NC(=O)c2sc3ccccc3c2CSc2ccccc2Cl)CCOCC1 535317763 LMMQSOQPZMODLU-UHFFFAOYSA-N 442.993 5.650 30 20 IKED N#C[C@@H](NC(=O)c1ccccc1COc1ccccc1)c1ccc(OC(F)(F)F)cc1 535782674 INVDQBCUTKKIOR-OAQYLSRUSA-N 426.394 5.159 30 20 IKED N#Cc1ccc(CN2CCC(N[C@@H](Cc3ccc(Cl)cc3)c3ccccn3)CC2)cc1 539506337 BDDDESJIXRUKRI-SANMLTNESA-N 430.983 5.145 30 20 IKED CN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 539576459 CCZJWYAUYBTACU-PMACEKPBSA-N 426.442 5.395 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 540872940 BPTRNOGSUFVRCX-UHFFFAOYSA-N 444.878 5.026 30 20 IKED Fc1cccc(-c2cnc(CN[C@H](c3ccc(OC(F)(F)F)cc3)C(F)(F)F)o2)c1 541084076 GMCQBOFIOJPXRB-QGZVFWFLSA-N 434.311 5.773 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC[C@H]2c2nc3ccccc3s2)n1 541099301 DFAHWMQZYLIMRL-SFHVURJKSA-N 448.939 5.376 30 20 IKED C[C@@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)Nc1ccccc1C(F)(F)F 542014730 XOMWZACWUBKXTQ-IAGOWNOFSA-N 437.465 5.922 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N3CCC(c4c[nH]c5ccccc45)CC3)n2)c(Cl)c1 542027656 ATXVVAIIZORISB-UHFFFAOYSA-N 444.926 5.290 30 20 IKED C[C@H](NC(=O)Nc1nnc(CC(F)(F)F)s1)c1ccc(-c2cccc(C#N)c2)cc1 542954743 FFKVOXPZGUADLI-LBPRGKRZSA-N 431.443 5.064 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NCc1cc(C#N)ccc1F 543495361 OPDPZYYPHHCEQA-GFCCVEGCSA-N 430.346 5.743 30 20 IKED C=C(C)Cn1c(SCc2nc(-c3ccc(OC(C)C)cc3)no2)nnc1-c1ccco1 544965619 DIGQXAPLPQTMIN-UHFFFAOYSA-N 437.525 5.244 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(Oc2ccccc2Cl)CC1 549158581 HFQOBXMFNZYOKD-INIZCTEOSA-N 429.973 5.667 30 20 IKED Cc1csc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c1C#N 565858081 UWEOXNIMVLQPMR-UHFFFAOYSA-N 449.536 5.046 30 20 IKED C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(n2c(C)nc3ccccc32)CC1 571569889 LPQHTZULKMZKHS-UHFFFAOYSA-N 437.551 5.112 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)c2)cc1 574241964 DTVBFEWPKIYLFJ-UHFFFAOYSA-N 434.455 5.111 30 20 IKED Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 581340050 BPYZUDKAHCCYFD-NLFFAJNJSA-N 442.519 5.343 30 20 IKED CCC[C@H](NCc1ccc(C#N)cc1C(F)(F)F)C(=O)Nc1cccc(N2CCCC2)c1 589503974 IUWDGCITGFBWTP-QFIPXVFZSA-N 444.501 5.074 30 20 IKED N#CCCC[C@@H](NC(=O)C(=O)Nc1ccccc1Nc1ccc(F)cc1F)c1ccccc1 590299518 VOEAXLZQYNUSCX-HXUWFJFHSA-N 448.473 5.198 30 20 IKED N#C[C@H](C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2)c1ccc2ccccc2n1 592975457 FOCWROAXTVXBOG-KRWDZBQOSA-N 447.325 5.706 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cnc4ccccc4c3C(F)(F)F)cn2)c1 603623372 UQDFVKIPSWFGCO-UHFFFAOYSA-N 434.377 5.565 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)c1nc(-c2ccncc2)cs1 604005428 IJGWQEDPIPPXIS-OAQYLSRUSA-N 447.523 5.548 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3SCc3ccco3)cc2)cc1 604456692 CWQDHYNMOYOJAK-UHFFFAOYSA-N 426.497 6.488 30 20 IKED CCOCCOc1c(Cl)cccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 609059320 NHFJMMZMZULICL-UHFFFAOYSA-N 440.883 5.051 30 20 IKED CC(C)c1noc(-c2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2)n1 609061101 NQBCZVODAYJODH-UHFFFAOYSA-N 428.448 5.156 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccccc3OCc3cscn3)c2)cc1 609176473 JBPSWMJHJKHYAZ-UHFFFAOYSA-N 427.485 5.638 30 20 IKED C[C@@](Cc1nc2ccccc2s1)(C(=O)NCc1ccc(C#N)cc1F)c1ccccc1 609228872 KCWLDYATCLEWEJ-VWLOTQADSA-N 429.520 5.124 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc1 609298284 LCTUUHRDAUEFQX-UHFFFAOYSA-N 449.445 5.452 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(-c2noc(C3CC3)n2)cc1 609371237 BTQAMWOZGUHZBZ-HNNXBMFYSA-N 434.521 5.026 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 609376739 IRTLRGXHCZZPFJ-AWEZNQCLSA-N 427.982 5.896 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCCc1nc2ccccc2s1 609381717 OQJCOMKYGYMMAW-UHFFFAOYSA-N 449.523 6.282 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc2c(c1)c1ccccc1n2C 609429269 QPDHQVMUVQFCLK-INIZCTEOSA-N 435.574 5.527 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1nc2ccccc2n1C(F)F 609434763 OUAXUTYIQVSMLS-UONOGXRCSA-N 429.496 5.708 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 609437048 MELROBGPDSRLHV-RTBURBONSA-N 435.618 6.938 30 20 IKED COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 610152127 MLYWAZNKFRYYEY-QGZVFWFLSA-N 429.358 5.084 30 20 IKED Cc1cccc(NC2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)CC2)c1 610163108 JZXZUVDDMNQHIM-UHFFFAOYSA-N 427.508 5.162 30 20 IKED Cc1nc2ccnn2c(C)c1CCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 610234723 MLBMYOZEQOPCAG-UHFFFAOYSA-N 443.938 5.037 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1 610598166 VQYDRTGUVSZPSQ-HZPDHXFCSA-N 444.400 5.522 30 20 IKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1 613291152 UTVVVDYOBVOGHP-QHCPKHFHSA-N 444.494 5.586 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2Cc3cccc(Br)c3C2)cc1 613770204 CKDMXCIKUOOAMN-UHFFFAOYSA-N 434.293 5.661 30 20 IKED O=C(c1cnc2ccccc2c1C(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618301333 NKTUWAYHOLBGQN-NXEZZACHSA-N 444.297 5.457 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)nnc1-c1ccoc1C 645083803 ZXSNZIIWULQKEQ-AWEZNQCLSA-N 425.489 5.383 30 20 IKED O=C(NC[C@H]1CCCC[C@H]1C(F)(F)F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 672732506 LFWIYFDDSYIFDW-MPPDQPJWSA-N 442.366 5.564 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(CCC(F)(F)F)cc1 676871854 JFDHQNXSKKRTSR-WDNDVIMCSA-N 435.330 5.821 30 20 IKED O=C(c1cc2ccccc2n1CC(F)(F)F)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 683744776 ODEIYSWRYSWBEK-GHMZBOCLSA-N 432.286 5.016 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C/c3csc(Br)c3)SC2=S)cc1Cl 726626498 HOSXEEJBFAUKNG-BASWHVEKSA-N 441.784 5.441 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)C[C@@H](c1ccccc1)C(F)(F)F 728458765 DOTLPPOGYYHUOA-AWEZNQCLSA-N 442.231 5.361 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1 729403764 NHBAGLNUWCQVEM-UHFFFAOYSA-N 433.464 5.330 30 20 IKED CCCCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 729570872 MNZLPAIEGNVECC-OAQYLSRUSA-N 448.567 5.291 30 20 IKED CC(=NOCC(=O)Nc1c(F)cccc1F)c1ccc(OCc2ccc(F)cc2)cc1 729675772 SJUZSANEPHHPEM-UHFFFAOYSA-N 428.410 5.062 30 20 IKED CCOc1c(Br)cc(/C=C\C(=O)c2cc(OC)c(OC)cc2C)cc1OC 731319911 SEMQPYMQJREMKD-FPLPWBNLSA-N 435.314 5.078 30 20 IKED CCN(C(=O)CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1)[C@@H](C)c1ccc(C#N)cc1 732060921 BYZZQNVLOSUTMZ-NRFANRHFSA-N 446.595 5.123 30 20 IKED N#C[C@H](C(=O)c1cc(Cl)nc(N2CCCC2)c1)c1nc(-c2c(F)cccc2F)cs1 733051517 HACVDHLTQDKARG-CYBMUJFWSA-N 444.894 5.227 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)S1 733083528 LDGMBSCRQWSLGE-LICLKQGHSA-N 436.518 5.227 30 20 IKED N#C[C@@H](NC(=O)/C=C\c1ccc2ccc(Cl)cc2n1)c1ccc(Br)cc1 733253578 MWUFOZFECVGWQB-ZBTAVZRMSA-N 426.701 5.045 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OC 733614668 LEBKEDJUMMJGHX-CQSZACIVSA-N 441.837 5.370 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cccc(COc2cccc(F)c2)c1 733927250 KVEWQOKBJNJFIU-UHFFFAOYSA-N 425.463 5.154 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)NC[C@@H]3CCCO[C@@H]3c3ccccc3)c2)s1 740039415 ROGISESKIKFFDZ-XUZZJYLKSA-N 431.561 5.254 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)O[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 740326798 AQLBRIDAYQIIAP-AWEZNQCLSA-N 432.398 5.547 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)OCC(=O)Nc1ccccc1C(F)(F)F 740328224 GPOFRAHRBSOOAI-UHFFFAOYSA-N 447.331 5.085 30 20 IKED O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)c1c(Cl)nc2sccn12 741846522 BOQZQXNPNQMNAU-HJWRWDBZSA-N 445.935 5.252 30 20 IKED O=C(/C=C\c1cnc(-c2ccccc2)s1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741851957 GSKFBESXAITLIV-FLIBITNWSA-N 437.464 5.042 30 20 IKED C#CCOc1ccc(F)cc1NC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 743200866 TYWMRLPWRAIPAA-UHFFFAOYSA-N 427.863 5.044 30 20 IKED C[C@H](/N=C1/NN=C(c2ccc(N3CCOC3=O)cc2)CS1)c1ccc(Cl)cc1Cl 743278089 ZLRDQSGOKMCSLH-LBPRGKRZSA-N 449.363 5.108 30 20 IKED COc1cc(C(=O)/C=C\c2ccc(OCc3ccncc3)cc2)ccc1SC(F)F 746345305 CWTAMADGANPENZ-YWEYNIOJSA-N 427.472 5.880 30 20 IKED COc1cc(C(=O)/C=C\c2cc(-c3ccccc3)cs2)ccc1S(=O)(=O)C(F)F 747067562 XYCLGWHKTHNUMW-HJWRWDBZSA-N 434.485 5.316 30 20 IKED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)c1 747108732 QKSZFDPIAAXYCJ-LJQANCHMSA-N 438.842 5.241 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cc(Br)c(F)cc2Cl)c1 751556701 LBVKTUZAXBQWRP-GFCCVEGCSA-N 440.700 5.244 30 20 IKED CC(C)(C)OC(=O)N1CCc2cc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)ccc21 752672179 VRFGRTRBNGLAML-JTHBVZDNSA-N 446.551 5.288 30 20 IKED COc1cccc(NC(=O)/C(=C\c2cnc(-c3ccccn3)s2)C(=O)c2ccccc2)c1 753140257 AFWKJSATRICJFQ-QNGOZBTKSA-N 441.512 5.119 30 20 IKED CCn1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(=O)c2cc(Cl)ccc21 757855181 MGQKSJQCNLDFNW-QFIPXVFZSA-N 441.918 5.583 30 20 IKED CC(C)(c1ccc(NC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1)C(F)(F)F 760149136 PJUVKYNWUIRQQR-UHFFFAOYSA-N 446.473 5.003 30 20 IKED CC(=NNc1ccc(Br)cc1)c1ccc(CNC(=O)OC(C)(C)C)nc1C 760250472 NOCOLEVYMLJYFA-UHFFFAOYSA-N 433.350 5.013 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2)CC2(O)CCCC2)cc1 762212979 GOUPAUGFNXVPMM-SANMLTNESA-N 439.559 5.681 30 20 IKED CCCc1cc[n+](/C(C(=S)Nc2cccc(Cl)c2)=C(/O)c2ccc(C#N)cc2)cc1 762444657 CAXZBBYRZCPELO-UHFFFAOYSA-O 434.972 5.775 30 20 IKED CCC(CC)c1cc[n+](/C(C(=S)NCc2ccccc2)=C(/O)c2ccc(C#N)cc2)cc1 762444755 FYPPOENVVNMPOH-UHFFFAOYSA-O 442.608 5.750 30 20 IKED N#Cc1cc(NC(=O)c2cc(Br)cc(C(F)(F)F)c2)c(Cl)c([N+](=O)[O-])c1 764307551 SGTKTXCEVGWXET-UHFFFAOYSA-N 448.582 5.153 30 20 IKED N#C[C@@H](C(=O)CCc1cncc2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1 765585625 CLRSSNLWGRMGKK-QHCPKHFHSA-N 435.483 5.307 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 768156232 MQDMNBLCMXXZRM-QGZVFWFLSA-N 433.726 5.195 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3ccccc3SCC#N)C2)n1 772822561 IJEFTWOUMPINTJ-QGZVFWFLSA-N 449.601 5.454 30 20 IKED C=C(C)[C@H](N[C@@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C)c1ccc(F)c(F)c1 775559172 WLQAHVFNQHRIEX-AOMKIAJQSA-N 431.527 5.661 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)N[C@H](CCC#N)c1ccccc1 777602269 ISVVRQHLHUVOJZ-DHIUTWEWSA-N 448.567 5.755 30 20 IKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2ccccc2O[C@H](C)C#N)cc1 780163093 RLPUERPFJALTDK-GOSISDBHSA-N 445.544 5.269 30 20 IKED N#Cc1ccc(CNC(=O)N[C@@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)nc1 780428886 VLPBLUOINLLQKB-NRFANRHFSA-N 443.309 5.182 30 20 IKED CCCOc1ccc(Oc2ncccc2CNC(=O)Nc2ccccc2O[C@H](C)C#N)cc1 780675888 IJCLOCGDPWVKFZ-GOSISDBHSA-N 446.507 5.275 30 20 IKED COCCN(C(=O)Nc1ccccc1O[C@H](C)C#N)[C@H](C)c1cccc(C(F)(F)F)c1 780679670 YNJOWRZVQQGDBG-HZPDHXFCSA-N 435.446 5.238 30 20 IKED C[C@H](OC(=O)C1(c2ccc(C#N)cc2)CC1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 781402049 YJAHJNOMRYOKHR-NSHDSACASA-N 437.710 5.120 30 20 IKED Cc1ccncc1/C=C\C(=O)C(c1nc2ccccc2s1)c1nc2ccccc2s1 784819068 JXKBZNVXZRWWJE-KHPPLWFESA-N 427.554 6.024 30 20 IKED C=CC[C@H](NC(=O)C(=O)N[C@H](c1ccc([C@@H](C)CC)cc1)c1cccs1)c1ccncc1 785552304 TZRHLYSENBQFDE-JKFKMHIGSA-N 447.604 5.296 30 20 IKED COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1 796040112 MDAWEVLFGUNFDM-XMMPIXPASA-N 442.515 5.342 30 20 IKED CN(C)c1ccc(N(Cc2ccc3ccccc3n2)C(=O)C[C@@H](CC#N)c2ccccc2)cc1 796883351 MPGZMVZLYORERC-XMMPIXPASA-N 448.570 5.922 30 20 IKED COc1ccc(Br)cc1C(=O)CCC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797571854 RRXWFCRZIKYMJI-CQSZACIVSA-N 449.370 5.051 30 20 IKED N#Cc1sc(N(Cc2ccccc2)C[C@H](O)c2cccc(OC(F)F)c2)nc1Cl 804621146 JZYDYZLFUQONRZ-INIZCTEOSA-N 435.883 5.010 30 20 IKED Cc1ccc(Sc2ccc(Cl)cc2)c(C(=O)OCCOC2(C#N)CCOCC2)c1 809080927 ZLFQXVPFMBDDFU-UHFFFAOYSA-N 431.941 5.046 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](N[C@@H]1CCc3ccc(C#N)cc31)CC(C)(C)O2 810258549 XJINRLWGLAVPJK-FGZHOGPDSA-N 433.552 5.785 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc3c(C)ccnc3[nH]2)sc2ccc(Br)cc12 815962101 INRPZXOPWMILAT-ZDUSSCGKSA-N 425.311 5.042 30 20 IKED N#CCCn1ncc(-c2nc(-c3ccc(OCc4ccccc4)cc3)no2)c1-c1ccccc1 904423296 GCOVBULGMWOHQD-UHFFFAOYSA-N 447.498 5.760 30 20 IKED N#CC(CCOC(=O)CCc1nc(-c2ccsc2)no1)(c1ccccc1)c1ccccc1 914887306 VNMOIVXAWHAJMS-UHFFFAOYSA-N 443.528 5.174 30 20 IKED O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(OC(F)F)cc1 916137762 UAYQJWUAIWCGBD-JYRVWZFOSA-N 427.834 6.090 30 20 IKED N#C[C@H](C(=O)Cc1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2)cs1 916628304 QRCHMNFFXJTHJW-MRXNPFEDSA-N 431.742 5.645 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cc1 916912396 ZUTJJCRJSPJREU-FQEVSTJZSA-N 446.507 5.058 30 20 IKED CCCOc1ccc(OCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917042940 JIQGZSVGXZRWCL-INIZCTEOSA-N 434.439 5.359 30 20 IKED COc1cc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)ccc1OC(C)C 919903909 YIYUCBGKCIRQDK-UHFFFAOYSA-N 431.492 5.468 30 20 IKED CN(C)c1ccc(CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C2CC2)cc1 919910084 LHQZLSIPMIASLQ-UHFFFAOYSA-N 426.520 5.613 30 20 IKED Cc1ccc(N2CCCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)cc1 919910344 OWLWIHGMNFXDTL-UHFFFAOYSA-N 426.520 5.403 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3NC(=O)c3ccccc3)cn2)cc1 920474758 NKOVYJRZIMAKNS-UHFFFAOYSA-N 434.455 5.250 30 20 IKED N#C[C@H](C(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1nc(-c2ccccc2)cs1 920875799 NDZFRYUNCUGTID-LJQANCHMSA-N 433.533 5.415 30 20 IKED CCOc1ccsc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3)CCC2)cc1 1785774355 PUTCUCHBLOAKLA-UHFFFAOYSA-N 445.544 5.080 30 20 IKED Cc1ccc2cc(C(=O)NC3(c4ccc(NC(=O)[C@@H](S)C(C)C)cc4)CCC3)ccc2n1 1786393638 IQWGJOYBTRQWBR-QHCPKHFHSA-N 447.604 5.245 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc4cccc(C)c4[nH]3)cc2)CCC1 1789253797 RCUKQAAOKPRQAK-UHFFFAOYSA-N 445.563 5.207 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C)nc3C)cc2)CCC1 1791770388 BRTSGYFLCOMLOD-UHFFFAOYSA-N 447.623 5.758 30 20 IKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)[C@@H]1c1cccnc1 1803091212 YTSOEEQCCQMWTO-GIALRWNJSA-N 437.628 5.072 30 20 IKED Cc1cscc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1818242523 VAJNOLBQQWGUSE-BTYIYWSLSA-N 447.564 5.026 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2cc3ccccc3o2)n[nH]1 1818813109 HIACFZZGMSPVOR-GURWAVDKSA-N 432.524 5.074 30 20 IKED Cc1ccc(-c2ccccc2C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](C)S)[nH]n2)cc1 1821225916 RCANRBQEUHYQTG-VGOFRKELSA-N 448.592 5.009 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccc(C)cc3s2)n[nH]1 1821527998 OKEIPSZRFPVFFE-HXUWFJFHSA-N 448.592 5.432 30 20 IKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccsc2)CC1)c1ccccc1 1825794683 SCZFUGJCRRGODZ-JWQCQUIFSA-N 448.632 5.179 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H](C)c2ccccc2)CC1 1828832104 YWERMYVIKYDLSD-RCXJIHSJSA-N 436.640 5.568 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCn2cccc2)CC1 1829038951 ASTMUSXMPABRON-RPBOFIJWSA-N 439.644 5.047 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)cc2C)CC1 1831442470 UEVZWUKNSBAVLY-HXUWFJFHSA-N 438.946 5.093 30 20 IKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1832719525 LNFMPVOXANEQBA-GOSISDBHSA-N 443.802 5.456 30 20 IKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccccc2)cc1 11127159 ZLDWNKRFFCXXPD-UHFFFAOYSA-O 425.577 6.302 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2cc(C)[nH]c2C)[n+]2ccc(C(C)(C)C)cc2)cc1 23604176 RNTSGVVLDBKTQN-UHFFFAOYSA-O 434.629 5.830 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)n1 26144754 PPXNCFBEJRCMMC-QWHCGFSZSA-N 433.455 5.385 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 32503699 WBTYGUBSICBEEP-UHFFFAOYSA-N 436.920 5.031 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1ccc(Cl)cc1Cl 97543287 XSWVBVLIKAZIEG-HNNXBMFYSA-N 440.330 5.883 30 20 IKED C[C@H](Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1C(F)(F)F 104839012 FLRXOZINRNBCIR-VIFPVBQESA-N 445.281 6.149 30 20 IKED C=CCn1c(-c2sc(NC(=O)C(c3ccccc3)c3ccccc3)nc2C)n[nH]c1=S 111200974 DUAIIVCCBVEHHA-UHFFFAOYSA-N 447.589 5.329 30 20 IKED C[C@H](NCc1ccc(O[C@H](C)C#N)cc1)c1cccc(NC(=O)Cc2ccccc2F)c1 237602889 CAYOUVUREHWPBT-MOPGFXCFSA-N 431.511 5.149 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 303690274 PLPPTIAYTBNTGX-UHFFFAOYSA-N 444.400 5.666 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)CCc1ccc(O)cc1 409473743 BGDUIPPEGKOCLS-HNNXBMFYSA-N 435.337 5.013 30 20 IKED COC(=O)c1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc2[nH]ccc12 425990171 XALVZVHUQRJWJM-UHFFFAOYSA-N 427.485 5.230 30 20 IKED O=C(c1cc(C(F)(F)F)ccc1F)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 435353543 LMLLBJKDEKIGBE-VIFPVBQESA-N 426.357 5.340 30 20 IKED COC[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccc(F)cc1 437964165 OGPCAQLVKVVXTA-XMMPIXPASA-N 433.483 5.094 30 20 IKED COc1ccccc1C[C@@H](C)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 438187542 PYISBLBLWRYPDN-GOSISDBHSA-N 445.519 5.463 30 20 IKED C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 444413546 UFANNCZHTHKKQP-ZHRRBRCNSA-N 433.895 5.001 30 20 IKED Fc1ccc(-c2nc(CN[C@@H](c3ccccc3C(F)(F)F)C(F)(F)F)no2)c(F)c1 444608269 KOHJUXCWORGBHT-HNNXBMFYSA-N 437.290 5.427 30 20 IKED CCOc1cc(-c2noc(-c3ccc(Oc4ccc(C#N)cn4)cc3)n2)cc(Cl)c1O 445410858 KELQZGLQBXRAHZ-UHFFFAOYSA-N 434.839 5.220 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)c1C#N 445558527 OJXBCIFETXZYCX-GFCCVEGCSA-N 447.347 5.179 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1N[C@@H]1CCN(c2c(F)cccc2F)C1=O 445589028 PORUQEFRUZOMRU-OAHLLOKOSA-N 441.425 5.207 30 20 IKED C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(c2ncc3n2CCCC3)CC1 460781975 LUDNBCMTTXCOBU-UHFFFAOYSA-N 436.991 5.091 30 20 IKED C=C(C)COc1cc(CNc2ccc(NC(=O)CN3CCCCCC3)cc2)ccc1OC 462350315 BEILOZDDZLUDFU-UHFFFAOYSA-N 437.584 5.077 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2CCN(c3ccccc3Cl)C2)cc1 463462414 WGUYDZRFJCZZJD-FQEVSTJZSA-N 445.950 5.450 30 20 IKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)cc(-c3ccccc3)nc21 464472297 DHZLGXOUFJNTLC-SFHVURJKSA-N 449.436 5.583 30 20 IKED COc1ccc2c(c1)[C@@H](NC(=O)N[C@H](C)c1ccc(-c3cccc(C#N)c3)cc1)CCO2 467274659 IDUKTKQYKWAHIV-OSPHWJPCSA-N 427.504 5.118 30 20 IKED N#Cc1cccc(-n2ccc(C(=O)Nc3ccccc3NCc3ccc(Cl)cc3)n2)c1 467552945 HGKHPEFMWUCSQO-UHFFFAOYSA-N 427.895 5.262 30 20 IKED Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 468169010 NSPROHMGIAOATE-IBGZPJMESA-N 426.520 5.685 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)cc1 470366137 VJIJCBQICIGTQK-IBGZPJMESA-N 433.430 5.554 30 20 IKED Cc1ccc(CNC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c(OC(C)(C)C)c1 470547142 CFGQAWHSCDXHKB-UHFFFAOYSA-N 448.567 5.077 30 20 IKED CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 470830981 JYOGLAGMHFQBSD-GOSISDBHSA-N 435.867 5.555 30 20 IKED COc1ccc(F)c(C(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)c1OC 472804916 OAFVPYBEAASXFI-UHFFFAOYSA-N 441.299 5.055 30 20 IKED C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 473634657 XFFOXESHNOYVGF-AUMHUTNHSA-N 433.533 5.313 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](CC)[C@@H](c1ccc(C)cc1)n1cncn1 475577422 DOWUNTVMXAGXIM-UKILVPOCSA-N 431.584 5.628 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(-c4ccccc4C)nc3C)n2)cc1 478542279 YMOLBAILCCCWRE-IBGZPJMESA-N 445.569 6.049 30 20 IKED C=C(C)[C@@H](NC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1)c1ccc(F)c(F)c1 478922748 YASXAAPASDOBEX-HSZRJFAPSA-N 438.449 5.712 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(C(F)(F)F)c1 481161436 AUCKKDJCLORJEQ-MRVPVSSYSA-N 425.369 6.405 30 20 IKED CCS[C@@H](C)c1noc(CN(C)C(=O)c2ccc(Sc3ccccc3C#N)cc2)n1 482778363 JZIKVUJIZQHZFV-HNNXBMFYSA-N 438.578 5.179 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ccc(Br)s2)n1)c1nccc2ccccc12 483190955 DFTOTSMLYFBYET-ZDUSSCGKSA-N 440.347 5.672 30 20 IKED CCc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](C#N)c1cccc(Br)c1 483992289 DSLWYHAMWNAOMF-MRXNPFEDSA-N 444.716 5.315 30 20 IKED Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)Nc1ccccc1SC[C@@H](C)C#N 485524331 RXBNBTPIFMKTLY-ZDUSSCGKSA-N 445.466 6.173 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)COc1cccc(I)c1 485696743 RTSPGLOPGYOMMI-UHFFFAOYSA-N 435.305 5.161 30 20 IKED CCCc1c(NC(=O)Nc2cnn(CCC(C)C)c2C(C)C)cnn1-c1cccc(C#N)c1 487238601 ZNKXMGPAPYAQMY-UHFFFAOYSA-N 447.587 5.706 30 20 IKED N#CCCC[C@@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 487346572 QXADJSLKOUNFAB-GOSISDBHSA-N 426.929 5.033 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C(=O)N3CCc4ccccc43)C(C)C)o2)cc1 489777400 JWCQAKBZMJLGDI-OAQYLSRUSA-N 435.549 5.007 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)N[C@@H](C#N)c2cccc(Br)c2)cc1 496274679 YENFNBWKMLTKLL-SFHVURJKSA-N 440.366 5.113 30 20 IKED N#C[C@H](NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1ccc(Cl)cc1 499811769 MHDYHQKQTCUDQA-NRFANRHFSA-N 432.936 5.503 30 20 IKED CCCc1ccc([C@@H](NC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C(C)C)cc1 501504864 OBPSLGCTJMUXLU-QFIPXVFZSA-N 446.576 5.086 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(CO[C@@H]3CCC[C@H](C)C3)c2)cc1 502524118 XPNQTMWDZMCLNL-FDDCHVKYSA-N 436.556 5.733 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(Br)c3Cl)s2)cc1 502635509 HVFCBBVFZYMHAV-UHFFFAOYSA-N 432.730 5.274 30 20 IKED C=CCn1c(SCCC(=O)Nc2c(C(C)C)cccc2C(C)C)nnc1-c1cccnc1 505074022 ODNLWNZXPVYSBS-UHFFFAOYSA-N 449.624 5.894 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NC(=O)CCCCOc3cccc(C#N)c3)s2)cc1 505108550 FQLHNSXMVWWMRG-KRWDZBQOSA-N 449.576 5.425 30 20 IKED CCOc1ccccc1Oc1ccc(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)cn1 510605585 LPOBLHPWRYRCFP-UHFFFAOYSA-N 430.508 5.395 30 20 IKED CC[C@@H]1c2ccsc2CCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511465665 QSBMVYFOGJLHPZ-OAQYLSRUSA-N 430.533 5.413 30 20 IKED Cc1cc([C@@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)sc1Br 511979049 QZORUCILKHZVFK-CQSZACIVSA-N 432.387 5.575 30 20 IKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1nc2ccccc2[nH]1 513659884 HYWYHHHDAHZHPL-SFHVURJKSA-N 449.297 5.612 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2occc2COc2ccccc2)cc1 513722189 HGQDASPOMJSOMO-UHFFFAOYSA-N 440.455 5.783 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC(Oc4ccccc4Cl)CC3)cc2)nc1 513877144 VYDOZRYTCCKFAZ-UHFFFAOYSA-N 433.895 5.083 30 20 IKED Cc1sc(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)c(C#N)c1C 514450268 WRQLAXFCOPZECS-UHFFFAOYSA-N 431.311 5.423 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCc1cc(Cl)c2c(c1)OCCCO2 515058075 XFSIZNFIBPYXIZ-UHFFFAOYSA-N 427.957 5.162 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4cccc(OCCCC#N)c4)cc3)o2)c1 515615972 HWUVLLMLPOLZLD-UHFFFAOYSA-N 438.487 5.647 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cccc(OC[C@H]4CCCO4)c3)c2)cc1 516114203 CBBAPODSHHOUEZ-AREMUKBSSA-N 442.515 5.142 30 20 IKED CN(C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1ccc(F)c(F)c1 516626697 VSBQTZAXKHBXII-UHFFFAOYSA-N 449.301 5.465 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(COc4ccc(F)cc4)o3)n2)cc1 518516434 BTJUQQCVFLYMJO-FQEVSTJZSA-N 443.459 5.483 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 518667951 QVJCLZYYZCSDRV-CYBMUJFWSA-N 425.406 6.260 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1 518709834 ARMXTVYRKVJIPI-NRFANRHFSA-N 436.298 5.439 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCCC[C@H]3c3nc4ccccc4o3)cc2)ccn1 518953371 PRBCASSCFUGMFV-QFIPXVFZSA-N 439.475 5.646 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](c3ccc(F)cc3)[C@H]3CCCO3)cc2)cc1 520050377 DMFIGXUKFXRBPW-DNQXCXABSA-N 431.467 5.531 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Br)c(F)c3)n2)cc1 520075490 IHUDUGTUHFUDSK-CQSZACIVSA-N 426.270 5.073 30 20 IKED CSc1ncc(Cl)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1 520513567 FOTHZUGDPGTCGL-OAHLLOKOSA-N 429.332 5.413 30 20 IKED CCCN(CCc1ccccn1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 520605311 RSATUYXCQPDZSC-UHFFFAOYSA-N 448.954 5.672 30 20 IKED C=CCN(Cc1ccccc1)C(=O)c1ccc(OCc2cc(C)no2)c(Br)c1 520676097 LEVJPLNIALAISY-UHFFFAOYSA-N 441.325 5.153 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(N2CCCC2=O)c1 521734764 SAMNKVIMTBXWJZ-UHFFFAOYSA-N 433.455 5.090 30 20 IKED CC(=O)c1sc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)nc1-c1ccccc1 521951780 PDJXJWDKLNOSTI-UHFFFAOYSA-N 440.484 5.324 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CSC[C@@H]3CCCCO3)cc2Cl)c1 524393119 OLFSNVNCSNGGNG-IBGZPJMESA-N 430.957 5.031 30 20 IKED Cc1cn(-c2ncccc2F)nc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 534157356 OOOZQEHMDIDBDJ-UHFFFAOYSA-N 447.857 5.285 30 20 IKED COc1cc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)ccc1OCc1cscn1 534520243 WUZMPLITEXXBFL-UHFFFAOYSA-N 427.551 5.214 30 20 IKED N#CC1(NC(=O)c2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)CCSCC1 535950492 VTIINSSMFNWRBY-UHFFFAOYSA-N 431.517 5.185 30 20 IKED COc1ccc(CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C2CCCCC2)cc1OC 539876648 DHWFZDNQELXOSM-UHFFFAOYSA-N 435.568 5.872 30 20 IKED COc1cc(CN(C)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1SC 541156004 HICHLEKIAOUTAU-SFHVURJKSA-N 445.588 5.858 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](Cc1ccccc1)c1cccs1 541592862 FGJANXORQIWYCF-WIYYLYMNSA-N 435.618 5.512 30 20 IKED COc1cc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)ccc1OC1CCCC1 543348536 CCXCIHBZSQPOEG-SFHVURJKSA-N 433.552 5.323 30 20 IKED CC[C@H](CC#N)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(OC)c1OC)CC2 546588494 FGFNMVUGNOGLJL-BMINWGARSA-N 441.531 5.161 30 20 IKED Cc1ccc(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)c(OCc2ccccc2)c1 554558078 KCQVOESRDRLYOF-UHFFFAOYSA-N 426.520 5.058 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)CC1 554569736 PAZYWIVKGRERBJ-UHFFFAOYSA-N 432.911 5.617 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3cc(-c4ccccn4)ccc3Cl)CC2)c(F)c1 560755263 CSEGEWNTXHWBJZ-UHFFFAOYSA-N 435.886 5.096 30 20 IKED Cc1nc(C#N)c(N2CCC(c3nc([C@H](c4ccc(Cl)cc4)C(C)C)no3)CC2)o1 573017029 OYCVLOOYXMRAIN-IBGZPJMESA-N 425.920 5.063 30 20 IKED C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(c2ncc(C)s2)CC1 574654843 JCHUADWFWIERPQ-UHFFFAOYSA-N 444.004 5.236 30 20 IKED N#CCC1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(F)cc2)CCC3)CC1 574716271 WPBHKUSXIRWLQP-DYTRJAOYSA-N 439.534 6.017 30 20 IKED O=C(NCc1nccn1C(F)F)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F 579654877 QJKLYXAUJTVBLX-UHFFFAOYSA-N 448.339 5.273 30 20 IKED COc1ccc([C@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)c(C)c1OC 580616162 HXAOEDBKOUPKAQ-KRWDZBQOSA-N 432.545 5.526 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ccc2c(c1)CCCC(=O)N2 603619109 LWVBDPHPFVGZCV-UHFFFAOYSA-N 427.479 5.128 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 603921818 PYXHFSOYWLPHMH-UHFFFAOYSA-N 441.918 6.040 30 20 IKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 604522855 JPKVCYRFKUXGQY-GJZUVCINSA-N 441.531 5.982 30 20 IKED C=CCn1c(SCC(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)nnc1-c1ccc(Cl)cc1 605522939 MVKXSRRSVAKDRE-SZVBFZGTSA-N 431.005 5.056 30 20 IKED C=CCCCN(C)C(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 605645046 TXVTYXOIJQWOKG-UHFFFAOYSA-N 445.407 5.437 30 20 IKED O=C(Nc1cc(F)cc(F)c1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 606167049 VFTLLARGZGUBDY-UHFFFAOYSA-N 429.263 5.099 30 20 IKED Cc1ccc(OCCCC(=O)Nc2ccc(CNc3ncc(C#N)cc3Cl)cc2)cc1 608885898 FMXNIJLTIPAUSK-UHFFFAOYSA-N 434.927 5.325 30 20 IKED N#CCn1c(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cc2ccccc21 609200414 CBWWOIACJYCRHY-UHFFFAOYSA-N 439.953 5.214 30 20 IKED CC(C)c1ccc(-c2nc(CC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cs2)cc1 609219506 UBYSWTCFDGRFMU-UHFFFAOYSA-N 445.588 5.418 30 20 IKED C[C@@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccccc1Oc1ccccc1 609387216 SSRHUPLMMZYMMN-RBUKOAKNSA-N 431.561 6.170 30 20 IKED Cc1oc(-c2ccsc2)nc1CSCC(=O)Nc1ccccc1SC[C@H](C)C#N 609389449 RQMCCTJBHRJJNQ-CQSZACIVSA-N 443.619 5.835 30 20 IKED COCCSc1ccc([C@@H](C)NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1 609644088 SWJLNSJFJQJQHH-LJQANCHMSA-N 446.572 5.367 30 20 IKED Cc1ccc(CN2CCOCC2)cc1NC(=O)c1ccccc1Sc1ccccc1C#N 609977284 WOKWRHYDXSGFAT-UHFFFAOYSA-N 443.572 5.102 30 20 IKED Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 610321288 OWUDYCCCPGCJQF-PXDATVDWSA-N 442.519 5.343 30 20 IKED CN(C(=O)C1CC1)c1ccccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 613320100 RORFZIHVRFZKIC-SFHVURJKSA-N 435.936 5.326 30 20 IKED N#C[C@@H](C(=O)c1ccc(N2CCCCCC2)nc1)c1nc2cc(C(F)(F)F)ccc2s1 613403834 GNPVBTKQUGIEBP-INIZCTEOSA-N 444.482 5.581 30 20 IKED C[C@@H](c1ccc(F)cc1)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 616947431 JZVOVQVKGORMDI-JTQLQIEISA-N 436.327 5.021 30 20 IKED N#CCCn1ncc(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)c1-c1ccccc1 617451042 NHHKMGFJXCJGNW-UHFFFAOYSA-N 449.486 5.042 30 20 IKED O=C(CCCOc1ccc(F)cc1F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 620691942 GOVRADXGIMYSQB-QWRGUYRKSA-N 433.339 5.150 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC2(CC1)OCc1ccccc12 670207461 SLQGZTNDEHPNJU-UHFFFAOYSA-N 437.547 5.095 30 20 IKED O=C(c1ccc(Cl)c(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 676575394 QDNQZVKPVJVLBL-IUCAKERBSA-N 427.694 5.562 30 20 IKED CSc1c(F)cc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F 680239258 FRQWLDVALHFTDR-YUMQZZPRSA-N 436.368 5.718 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N2CCC(c3cccc(F)c3F)CC2)c1C(F)F 681149058 FJYWEMLNIGDXMX-UHFFFAOYSA-N 437.359 5.157 30 20 IKED C=CCCCCNC(=O)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 681187385 UARCIZUYEYIHEZ-HSZRJFAPSA-N 426.605 5.241 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccccc2F)o1 731068249 XDHRQXYLOLYQHH-OAHLLOKOSA-N 438.480 5.275 30 20 IKED Cc1ccc(-n2nc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)c3c2CCCC3)cc1 731137084 ZVPOPXXTQPESIP-HSZRJFAPSA-N 448.526 5.174 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)ccc1F 731643904 KWESPCUZAOXNOI-QGZVFWFLSA-N 438.286 5.474 30 20 IKED CCN(C(=O)COc1cccc(C#N)c1)[C@H](c1cccnc1)c1csc2ccccc12 732570928 YQUJTEIECXOXOP-RUZDIDTESA-N 427.529 5.185 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)CC(c2ccccc2)c2ccccc2)ccc1OC 733232158 OPICCHYYPCXXEM-HSZRJFAPSA-N 428.532 5.215 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)o1 733245338 IMUXARJMELEOMO-UHFFFAOYSA-N 446.850 5.218 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(C)cc2OCc2ccccc2)c1 733844413 XGKTXVXSWMMHCB-QFIPXVFZSA-N 429.520 5.577 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)c1 733847105 XAFQVCPAXPERNW-NVQXNPDNSA-N 439.515 5.703 30 20 IKED N#CC(CCOC(=O)c1cc2c(nc1O)CCCCC2)(c1ccccc1)c1ccccc1 738756664 YEIQJQMTCQPSMO-UHFFFAOYSA-N 426.516 5.113 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)c1 740917275 MYVPPMZFRDUMPN-OFVILXPXSA-N 431.511 5.290 30 20 IKED CCOc1cc(C#N)ccc1OC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 741887426 RCHGRHSROHTFHX-UHFFFAOYSA-N 430.247 5.065 30 20 IKED C#Cc1cccc(NC(=S)N[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c1 743008135 FLEFBBHRZPZTTQ-QHCPKHFHSA-N 434.948 5.169 30 20 IKED N#Cc1ccc([C@H]2NC(=S)N(C3CC3)C(c3cccs3)=C2c2nc3ccccc3[nH]2)o1 743741376 DXVIFTRVFKLJTI-HXUWFJFHSA-N 443.557 5.051 30 20 IKED C#CC[C@@H](OC(=O)c1cccc(Sc2cccc(Br)c2)n1)c1ccccn1 744100836 NMFHCSJQGYBRCJ-LJQANCHMSA-N 439.334 5.312 30 20 IKED C=CCN(CCc1ccccc1)Cn1nc(-c2cccs2)n(C[C@H]2CCCO2)c1=S 744153767 FKWLUCSBNAMEHR-HXUWFJFHSA-N 440.638 5.010 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)c1occc1COc1cccc(C#N)c1 744926994 OQVGNFNTCKATHB-SFHVURJKSA-N 446.503 5.346 30 20 IKED CCCCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 747003647 KPVIETVZUKJYOV-DEOSSOPVSA-N 443.522 5.249 30 20 IKED CCCOc1ccc(Br)cc1/C=C/C(=O)c1ccc(N2CCOC2=O)cc1 748585055 WIDDMUNMDDWAHK-WEVVVXLNSA-N 430.298 5.091 30 20 IKED CC(C)n1c([C@H]2CCCN2CC(=O)[C@H](C#N)c2nc3ccccc3s2)nc2ccccc21 748823108 MTMHLXZKGIFHHZ-LAUBAEHRSA-N 443.576 5.240 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCCOc2ccccc2F)cc1 750704669 IIMOFHFSMBURRE-UHFFFAOYSA-N 435.455 5.089 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc3c(Br)cccc3[nH]2)cc1 751329760 WFIVYYUNDKMXQU-LJQANCHMSA-N 430.305 5.838 30 20 IKED CC(C)c1ccccc1-n1c(-c2cccnc2)nn(CN(C[C@@H](C)C#N)C2CC2)c1=S 753989092 YJCAFBBWESLGDC-SFHVURJKSA-N 432.597 5.170 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@@H](C)c2csc3ccccc23)n(Cc2ccco2)c1C 754737625 NYHSOGFGLRLLGJ-INIZCTEOSA-N 432.549 5.122 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1Br 757408135 HCPTUQVLBYTUBP-SFHVURJKSA-N 449.304 5.511 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)cc1 758585025 DKROLJQZWDPOBG-CTNGQTDRSA-N 447.491 5.072 30 20 IKED C/C(=C/c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 758872381 GIEMRNAYLGSYKX-DFSFMLJYSA-N 428.941 5.177 30 20 IKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)CC1CCC(c2ccccc2)CC1 759235984 GGMAXHNILYAEBI-MNLRITNHSA-N 434.536 5.064 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)N[C@H](c3ccccc3)c3ccc(Cl)cc3)CCO2)c1 761642654 VSOBCNWLOIARBP-BJKOFHAPSA-N 431.923 5.084 30 20 IKED C=CCn1c(-c2ccccc2C)nn(CN(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1=S 764943700 IIDOKFNFGVDLDW-LADGPHEKSA-N 448.636 5.633 30 20 IKED C=CCn1c(-c2cccs2)nn(CN2CCC(OC3CCC(C)CC3)CC2)c1=S 764987789 HLNWKQBWGZWFGM-UHFFFAOYSA-N 432.659 5.346 30 20 IKED C[C@H](CCC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)NC(=O)OC(C)(C)C 774051528 BCJQGJZDLGONKK-YPMHNXCESA-N 441.475 5.185 30 20 IKED C[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1ccccc1Oc1ccccc1 775332583 PQJNCJUCCXDIOJ-AVRDEDQJSA-N 434.499 5.367 30 20 IKED CC[C@H](C)Oc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccn1 777302810 QZXVVKIQSSOTHN-PXNSSMCTSA-N 429.476 5.012 30 20 IKED COc1cccc(Cn2ccc3ccc(NC(=O)Nc4ccccc4O[C@H](C)C#N)cc32)c1 780614571 DBQDRXVBJAEDQK-GOSISDBHSA-N 440.503 5.633 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(C#N)cc2F)cs1)c1ccc(F)cc1F 781107433 HNHFHGQVSNENIF-QPJJXVBHSA-N 427.407 5.013 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)c3ccc(C4SCCS4)cc3)n2)c(Cl)c1 782521190 WINOXKBMNPKNRL-UHFFFAOYSA-N 426.954 5.128 30 20 IKED Cc1ccc(C)c(-n2cnc3cc(C(=O)[C@@H](C#N)C(=O)Nc4ccccc4Cl)ccc32)c1 788352985 XJZBHLXJWZWGFR-GOSISDBHSA-N 442.906 5.257 30 20 IKED Cc1cc(Cl)ccc1O[C@H](C(=O)[C@H](C#N)c1cnc2ccccc2n1)c1ccccc1 792108859 PEKNCVQEXUVAFW-CLOONOSVSA-N 427.891 5.588 30 20 IKED CC(C)(C)OC(=O)NC1[C@H]2CCC[C@H]1CC(C(=O)[C@@H](C#N)c1ccc3ccccc3n1)C2 796747269 IEJRXNHJMDSSBX-ONJIMDDYSA-N 433.552 5.131 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)[C@@H]1OCCc2sccc21 796806985 JXLXBLDAAVHFFI-RZZGRXHGSA-N 430.501 5.276 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 812010492 KREPPQSASLRJJW-UHFFFAOYSA-N 428.473 5.050 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cn(C(C)C)nc1C1CCOCC1 856618521 NLBWGKVNTPXGHU-UHFFFAOYSA-N 444.535 5.583 30 20 IKED N#Cc1ccc(OCc2nc(-c3c(Cl)cccc3Cl)no2)cc1Br 904308301 HLDCECALAJWFEL-UHFFFAOYSA-N 425.069 5.257 30 20 IKED COc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 915103276 RXIBYMZOAHCLJG-INIZCTEOSA-N 433.316 5.381 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 915141877 BJWTZAYQRMJFBF-UHFFFAOYSA-N 447.343 5.459 30 20 IKED Cc1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1NS(=O)(=O)c1ccccc1 915978836 ALRCTYGRSVXWKT-UHFFFAOYSA-N 435.332 5.559 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2ccc(Cl)c(Cl)c2)cs1 916250310 ZQYPGPOWWQARHA-UHFFFAOYSA-N 433.364 6.197 30 20 IKED CCCOc1ccc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)cc1OC 916333102 CWFTZUOGOJHMNR-UHFFFAOYSA-N 437.352 5.220 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1OC 916407496 DDSCEGNEMHEBRK-SQFISAMPSA-N 428.488 5.164 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1 916900101 MMZXYAUIJKXCOF-QAPCUYQASA-N 442.943 5.069 30 20 IKED Cc1ccc(C)c(C(=O)CCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 916908473 MULIQCDGWQWPDI-QFIPXVFZSA-N 440.499 5.406 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](CC(C)C)NC(=O)c3ccccc3C)n2)cc1 916971915 GACDQTKDRNLGSK-YADHBBJMSA-N 445.588 5.448 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccccc3OC(F)(F)F)n2)cc1 916974400 KMOLXRDMNOMEKQ-DVQDXYAYSA-N 428.435 5.907 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(-n3cccn3)cc2)cs1 917560243 KDDMEYAZUCRKMQ-GHXNOFRVSA-N 448.935 5.563 30 20 IKED C=CCN(Cc1ccccc1F)Cn1nc(-c2cccnc2)n(-c2ccccc2)c1=S 918180669 CDKBELKPGGVDKY-UHFFFAOYSA-N 431.540 5.250 30 20 IKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)c1 918486378 AZTKBEYHDFEHQY-HNNXBMFYSA-N 445.327 5.692 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cc(Cl)nc(Cl)c1 920069505 ISBABBPIUFEQBU-UHFFFAOYSA-N 441.771 5.691 30 20 IKED C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920803782 CIROPIOZHUSTKK-BXUZGUMPSA-N 445.472 5.354 30 20 IKED CSc1nc(O)c(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)cc1C#N 1356202423 FYYUFLONRZZJRU-GOSISDBHSA-N 444.343 5.207 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCCCC4(F)F)cc3)CCC2)c1 1786465818 IPNXFFSRYFZWBE-OAQYLSRUSA-N 437.490 5.131 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4sc(C)nc4c3)cc2)CCC1 1789047810 OTVKECJQADGEDG-UHFFFAOYSA-N 445.588 5.546 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4c(F)cc(F)cc4[nH]3)CCC2)cc1 1791248066 QBPMVGRWTBVONL-OAHLLOKOSA-N 437.490 5.406 30 20 IKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)CCCCC)[C@H]1c1cccnc1 1803088673 FMFBIDLWHXDAII-QDSKXPNFSA-N 425.617 5.072 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/C2CCCCC2)[C@@H]1c1cccnc1 1808507529 IKDMBQMJDRTHDU-WZRRVDDOSA-N 437.628 5.216 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(C)c(C)c2)n[nH]1 1815631416 SZDSFQFDROKIQA-FYYLOGMGSA-N 434.584 5.030 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C(C)=C/c1ccc(C)o1)CC2 1820100296 QPJFVRZSNWAZLM-JMPLCFMRSA-N 441.597 5.052 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)c(C)cc2F)n[nH]1 1823202990 UUOFJHRZHAUQQP-NRFANRHFSA-N 442.510 5.071 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCc2ccncc2)CC1 1825253257 FZGPCYYWMZOLBG-DEOSSOPVSA-N 439.644 5.016 30 20 IKED CC1=CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)CC1 1828351082 FQKFNFJYGSKODH-VIICAESSSA-N 447.623 5.293 30 20 IKED CC(C)[C@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)CC1 1829956448 IKUDEIKMNCWQSR-QIGHUWCUSA-N 449.639 5.254 30 20 IKED CCn1c(SCc2cc(C#N)ccc2F)nc2scc(-c3cccs3)c2c1=O 11150452 GLNPRXKZOSUKFL-UHFFFAOYSA-N 427.551 5.509 30 20 IKED CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H]1c1ccccc1OC 25440103 MXMWCOXLWTWHDJ-WIOPSUGQSA-N 447.579 5.215 30 20 IKED CCCCSc1nnc(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)s1 26108738 IQGJFOZFTDHKRX-AWEZNQCLSA-N 446.648 5.522 30 20 IKED CCC(CC)(Cc1nc2ccccc2s1)C(=O)N(CCOC)Cc1ccc(C#N)cc1 63644733 KJGXCVIPRYNXJM-UHFFFAOYSA-N 435.593 5.192 30 20 IKED N#Cc1cccc(OCCSC2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(F)cc2)c1 71960199 LPPOQQHCHUPWFB-XQNSMLJCSA-N 443.503 5.253 30 20 IKED CC(=O)N(c1nc(CSc2nc3c(cc2C#N)CCCC3)cs1)c1cccc(C)c1C 96995022 ZMHWKKRXWLMQTP-UHFFFAOYSA-N 448.617 5.882 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(Sc3ncccn3)cc2C)cc1OC 110139892 IGPMBLFHBVKMCJ-YRNVUSSQSA-N 433.533 5.162 30 20 IKED CC(=O)c1ccc(C#N)cc1N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 302102468 LSVDEGUSCXFLKE-UHFFFAOYSA-N 428.467 5.107 30 20 IKED N#C[C@@H](NC(=O)CSc1nc2ccccc2s1)c1ccc(OCc2ccccc2)cc1 303211803 RHSBHTMKWANXMI-OAQYLSRUSA-N 445.569 5.348 30 20 IKED N#Cc1c(NC(=O)c2ccc(Br)cc2C(F)(F)F)sc2c1CCCC2 328039067 LZZVFJORMKXOHK-UHFFFAOYSA-N 429.261 5.532 30 20 IKED Cc1csc(Sc2ccc(NC(=O)N(CCC#N)Cc3ccco3)cc2Cl)n1 426067685 UHUKYDRFHXRGBW-UHFFFAOYSA-N 432.958 5.797 30 20 IKED N#CCCn1ncc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1-c1ccccc1 428292244 ATTQVOGNZNBCQS-UHFFFAOYSA-N 441.516 5.030 30 20 IKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)[C@H](C#N)CCc3ccccc3)c2)c1 433304629 NVNOAQYCZFQRJB-QFIPXVFZSA-N 426.520 5.028 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1nc(-c2ccccc2)cs1 435687095 CIBRBKOCIKDZGS-UHFFFAOYSA-N 438.553 5.598 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@H](c2ccc(F)cc2)O1 437827459 GWSAOTHHNRZPKU-MZNJEOGPSA-N 431.467 5.484 30 20 IKED C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 437951122 HMMXCRBPZYOTCE-BXKMTCNYSA-N 447.485 6.030 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ncc(-c2ccccc2)o1 438661806 UUGRTCMFPZASRT-MRXNPFEDSA-N 442.450 6.027 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccncc2)cc1F 438668258 WRAAVBHCLBXPFK-JOCHJYFZSA-N 430.483 6.034 30 20 IKED Cc1oc2ccc(NC(=O)C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)cc2c1C 439533431 UXYKEOCCKPUYJN-UHFFFAOYSA-N 439.471 5.078 30 20 IKED C[C@H](SCc1ccc(C#N)cc1OC(F)F)C(=O)Nc1ccccc1Br 439537166 QDSWOKAQOALPCW-NSHDSACASA-N 441.297 5.183 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(CN(C)C(=O)C(C)C)cc3)n2)cc1 442686494 WSKDWSDBXXMEPE-OAQYLSRUSA-N 431.561 5.223 30 20 IKED CC(C)[C@@H]1C[C@@H](CNC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccc21 448318928 FVTCDXZSFFOPQP-WFXMLNOXSA-N 435.593 5.063 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC[C@H](COCc3ccccc3)C2)c1 460522054 IDDMLBYALMXFBW-FQEVSTJZSA-N 446.934 5.683 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 460542602 FNEQMKRHGANEGG-FQEVSTJZSA-N 443.517 5.485 30 20 IKED CC(C)(C#N)CCSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 463048369 LZNRRCUABGQXHR-UHFFFAOYSA-N 431.392 6.332 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)s2)cc1OC 464943684 MQTFVOPQMHDCRD-VQTJNVASSA-N 447.560 5.048 30 20 IKED CCOc1cccc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1OC(F)F 465250654 GJRUKTLROCCURU-AWEZNQCLSA-N 435.496 5.260 30 20 IKED C=CCc1cc(CNC(=O)N(CC)Cc2cccc(-c3ccncc3)c2)cc(OC)c1OC 465808950 JMRZTRZYCXZLSA-UHFFFAOYSA-N 445.563 5.226 30 20 IKED CSc1ccc([C@@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 466838569 RDMZRLFTXNFEOX-GOSISDBHSA-N 431.561 5.936 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N 468660773 JCAWOMGRONTTMA-UWJYYQICSA-N 434.323 5.024 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469259857 SKGOMGJHEQFLCU-INIZCTEOSA-N 448.567 6.014 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@@H](C)c1cn(-c2ccccc2)nn1 471435122 GNGWWHQSQWGAKB-IRXDYDNUSA-N 437.594 5.094 30 20 IKED CN(Cc1nc(C(F)(F)F)cs1)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 472696435 ZYRUMSQMNZLULB-UHFFFAOYSA-N 447.332 5.029 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCc3cc(-c4ccccc4)oc3C2)cc1 473645965 XUVGBDNUDKHANP-UHFFFAOYSA-N 441.531 5.351 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 476128288 BYJIGRHXCYNXTG-UHFFFAOYSA-N 433.573 5.765 30 20 IKED C=C(C)[C@@H](NC(=O)N[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1)c1ccc(F)c(F)c1 477168552 IOCPIUSWGFYRSE-BFUOFWGJSA-N 430.430 5.140 30 20 IKED C=C(C)[C@@H](NC(=O)N1CCC(n2c(CC)nc3ccccc32)CC1)c1ccc(F)c(F)c1 477743770 PKJVCWFOULTCJE-XMMPIXPASA-N 438.522 5.541 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C(=O)NCCC)c(Cl)c1 480844420 OISKIQUYNBOIRP-UHFFFAOYSA-N 426.369 5.415 30 20 IKED Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 481171528 HLIVCJJMLLGALA-UHFFFAOYSA-N 438.512 5.853 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCc1csc(-c2ccccc2F)n1 481345786 MMPFNPUXKIPRDR-UHFFFAOYSA-N 438.553 5.598 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)nnc1-c1cccs1 481389583 IVUVGPKVGOONHN-ZIAGYGMSSA-N 433.002 5.204 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NC(=O)C(C)(C)Oc3ccc(C#N)cc3)s2)cc1 482184732 RXVIFKYXMZTXEJ-INIZCTEOSA-N 435.549 5.034 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c(OC2CCCC2)c1 482587999 CSKDRQCWNVJKHH-QGZVFWFLSA-N 425.435 5.251 30 20 IKED C=C(C)[C@H](NC(=O)N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1)c1ccc(F)c(F)c1 483199955 OKJKKAQNYQUANR-DPSWKAHMSA-N 444.522 5.207 30 20 IKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)[C@H](C#N)c1cnc2ccccc2n1 483204425 TYLCLXYNTMEVGZ-OAQYLSRUSA-N 448.482 5.457 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccccc1Cl 483251005 FWPASDYHGCPBHD-ZDUSSCGKSA-N 425.826 5.069 30 20 IKED Cc1ccccc1-n1nc(C)c2cc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)sc21 483460353 XUWZHBNZKQSWCH-MRXNPFEDSA-N 440.450 5.608 30 20 IKED CN(CCC(F)(F)F)C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 483641514 JTXLIZWTGPQPIS-MWENRILCSA-N 439.362 5.520 30 20 IKED Cc1c([C@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C(C)C)oc2ccccc12 483781783 FVSQFWVOMPGOGI-RUZDIDTESA-N 444.579 5.228 30 20 IKED N#CCCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C12CC3CC(CC(C3)C1)C2 486594584 GWKOGCAOBRYGIG-UHFFFAOYSA-N 437.971 5.639 30 20 IKED COc1cccc2[nH]cc(CC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c12 489160327 FUBUDDVVWIXHNS-FQEVSTJZSA-N 429.907 5.667 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)nnc1-c1cccs1 489435114 MDMUKMULLXRVCF-CYBMUJFWSA-N 427.530 5.543 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H](C#N)c1cccc(Br)c1 496265700 WKTSFQKVMPMAPY-MRXNPFEDSA-N 430.302 5.015 30 20 IKED Cc1cc(C)cc(Oc2ccc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)cc2)c1 498361686 WIOWUHHMJKLTTR-UHFFFAOYSA-N 448.544 5.426 30 20 IKED COc1cc(CNCC(C)(C)CCC#N)cc(Br)c1OCc1ccccc1 498374161 PZIRBMMEIPQYMO-UHFFFAOYSA-N 431.374 5.456 30 20 IKED N#C[C@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1cccc(C(F)(F)F)c1 505971699 QVRQCOPAMMAUTE-KRWDZBQOSA-N 429.423 5.014 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(Cl)c(C)cc2Cl)cc1C 507953847 IACOGZVZMOKHGH-UHFFFAOYSA-N 427.335 5.948 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCSc3c(F)cccc32)cc1 508292146 LQWKKEYKJRKORU-FQEVSTJZSA-N 449.507 5.857 30 20 IKED O=C(Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1)[C@H]1C[C@@H]1C(F)F 509131875 KFAJFBRNCABHDM-RYUDHWBXSA-N 444.347 5.611 30 20 IKED Cc1ccc(OCCN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 511374204 WZCMAGBMIZRWSN-UHFFFAOYSA-N 429.520 5.183 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(COc2ccccc2C#N)c1 513237752 DWBZEZCYCITOAQ-SFHVURJKSA-N 427.529 5.641 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)c1 513535564 XZKDABOAFUYJMH-DEOSSOPVSA-N 432.907 5.004 30 20 IKED COc1ccc([C@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C(C)C)cc1 514025796 ZRQBPLIZJAJYBL-AREMUKBSSA-N 445.538 5.815 30 20 IKED CC(=O)N[C@H](CC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C)c1ccc(C)cc1 514536344 AWERSZLGEPNBME-RUZDIDTESA-N 443.522 5.115 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1N(C)c1ccccc1 515157677 VMIXXQINJHUCIK-UHFFFAOYSA-N 434.499 6.074 30 20 IKED Cc1c(NC(=O)c2ccccc2)cccc1N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 515648741 PMEUBQVFBVEASS-INIZCTEOSA-N 432.911 5.212 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C)n(-c4nccs4)c3C)n2)cc1 516269879 BOQZGJNKCCSGOO-GOSISDBHSA-N 434.546 5.173 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 519266422 HCQKZAYNJHJNDW-UHFFFAOYSA-N 429.929 5.145 30 20 IKED C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl 519397756 UAZVXWPSGQVYNY-JTQLQIEISA-N 435.785 5.699 30 20 IKED Cc1nc(-c2ccc([C@@H](C)NC(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)cs1 520195864 OOVJDGLVKLKINK-HZPDHXFCSA-N 436.606 6.396 30 20 IKED C[C@H](SCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc2ccccc2[nH]1 520615532 BQSLDYXNQLWQSW-INIZCTEOSA-N 428.517 5.660 30 20 IKED Cc1ccc(-c2nc(CSCC(=O)Nc3ccccc3S[C@H](C)CC#N)cs2)o1 520835178 AAHQEDMWAFGXQS-OAHLLOKOSA-N 443.619 5.978 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 522246201 WCBKXZXFADUGLD-UHFFFAOYSA-N 429.467 5.751 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 524004126 CIJLTNCZEPJICO-KRWDZBQOSA-N 433.487 5.088 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)c2)cc1 524502483 JSJCCALNEPPXFD-UHFFFAOYSA-N 444.494 5.933 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)c1C 524958405 MRARJMWEWMRHES-RBUKOAKNSA-N 440.425 5.002 30 20 IKED C[C@@H](NC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1)c1ccc(C#N)cc1 525114439 WXVJMKQTEYAHSK-OAQYLSRUSA-N 440.543 5.063 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1 525562948 NRTVUQQLCUKQJX-INIZCTEOSA-N 434.565 5.829 30 20 IKED C=CCOc1ccc(CNc2cccc(CS(=O)(=O)C3CCCCC3)c2)cc1OC 532895198 OUULCWDLRXMYOW-UHFFFAOYSA-N 429.582 5.120 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2cc(Br)cnc2O)cc1Cl 534875173 OHFZQRQFKJXEOA-UHFFFAOYSA-N 444.672 5.119 30 20 IKED C=CCN(C(=O)Nc1ccc(Sc2ccc(C(C)C)cc2)cc1)[C@@H]1CCS(=O)(=O)C1 538353919 IHVLNLIDZJEXPA-HXUWFJFHSA-N 444.622 5.168 30 20 IKED CN(Cc1ccccc1NCc1cn(CCC#N)nc1-c1ccccc1)C1CCCCC1 539925950 BIVZDMNUYINSSO-UHFFFAOYSA-N 427.596 5.840 30 20 IKED C[C@@H](NC(=O)NCc1nc(C(F)(F)F)cs1)c1ccc(-c2cccc(C#N)c2)cc1 541093867 FCPNPFQLPBVZRF-CYBMUJFWSA-N 430.455 5.261 30 20 IKED COC(=O)c1ccoc1CN[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 541192909 ABZFLBJUTWZLBH-CYBMUJFWSA-N 449.269 5.497 30 20 IKED N#C[C@@H](NC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1)c1cccc(Cl)c1Cl 541423077 GLRGBBWPJRWUQS-HNAYVOBHSA-N 431.367 5.181 30 20 IKED C[C@H](NCc1csc(COc2ccccc2)n1)c1ccc(-c2cccc(C#N)c2)cc1 542017053 CTCKSTCIYXZMHX-IBGZPJMESA-N 425.557 6.112 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 549271722 QMLOJPGNFGMTDB-VJTSUQJLSA-N 444.579 5.102 30 20 IKED N#CCC[C@@H](C#N)CNC[C@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 554863385 RDVGTNROMGXXBN-MGPUTAFESA-N 433.408 5.187 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3F)s2)nnc1-c1cccs1 559997078 QGEYAARPHNRDDK-GFCCVEGCSA-N 429.571 5.704 30 20 IKED C[C@@H](Cc1ccccc1C(F)(F)F)N(C)CC(=O)Nc1ccccc1SC[C@H](C)C#N 561908006 VGZVMXOOAVBNAM-SJORKVTESA-N 449.542 5.459 30 20 IKED N#CCCN(C(=O)CCc1ncc(-c2ccccc2Br)o1)c1ccc(F)cc1 561917920 HBOZEUKJRSWHKU-UHFFFAOYSA-N 442.288 5.123 30 20 IKED C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Br)cc1F 564371112 PJWLCLBUCPOUSA-OLZOCXBDSA-N 436.350 5.865 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)Nc3ccc(NC[C@@H]4CCCO4)c(F)c3)cc2)ccn1 564441133 OATVAOCAICVJPN-NRFANRHFSA-N 447.470 5.120 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3cc(OC(F)F)cc(OC(F)F)c3)cc2)ccn1 564520485 GPGVOYBJYPHVEN-UHFFFAOYSA-N 447.344 5.201 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 564672710 AZUTXCIBAMGAIJ-UHFFFAOYSA-N 444.360 5.249 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1N[C@@H](C)c1ccccc1 572165746 KZDNRZTXAIUFOV-IBGZPJMESA-N 429.520 5.538 30 20 IKED N#CC[C@@H](CC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccccc1 577307141 HXMZFHUSWGDZHH-WMZHIEFXSA-N 430.470 5.377 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)c2)cc1 580662934 KVTSIBAJVVNKBI-UHFFFAOYSA-N 427.338 5.530 30 20 IKED Cc1ccc(-n2cnnc2)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 580692944 XYNAQTAEABQGKV-OAQYLSRUSA-N 427.895 5.137 30 20 IKED C=CCN(Cc1cccs1)C(=O)N[C@@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 589784513 MZNYMFOUIYIART-QFIPXVFZSA-N 436.577 5.447 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 601186439 RCSZJYMKBNMHDI-IYBDPMFKSA-N 441.375 5.076 30 20 IKED CCOc1ncc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1Cl 602493493 PMZIBMMRPFJZGQ-LLVKDONJSA-N 425.819 5.252 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc4c(C(F)(F)F)cc(O)nc4o3)cc2)cc1 604458596 LAIJMBQCRUYNMP-UHFFFAOYSA-N 439.349 5.468 30 20 IKED O=C(NCCc1c[nH]c2ccc(F)cc12)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604914539 RIAHDLXRGIODNT-IMRBUKKESA-N 439.375 5.058 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(N2CCSCC2)cc1C 606773213 SZQLUHOCMBYXAD-UHFFFAOYSA-N 436.499 5.384 30 20 IKED Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2ccccc2-c2ccccc2C#N)C1 608818731 BMLYNJZJPBBHKQ-IBGZPJMESA-N 429.951 5.443 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(OCCOc2ccc(Cl)cc2)cc1 609115414 GYTPDQFUCQKITB-UHFFFAOYSA-N 449.938 5.011 30 20 IKED C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccccc1SCCC#N 609378718 GBRCVKDHOLDKDA-LBPRGKRZSA-N 439.762 5.514 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 609398734 MVSXXNOHBCACHO-QZTJIDSGSA-N 428.627 5.034 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(Oc2ccc(F)cc2F)CC1 609398760 OBPGTTMPUIIKPG-OAHLLOKOSA-N 431.508 5.292 30 20 IKED CCCN(C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@@H]1CCc2ccccc21 609438279 JCJSOUFZBWAQCW-RUZDIDTESA-N 439.515 5.215 30 20 IKED N#Cc1cccc(OCCCCC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 609499540 LBEKCTSZPFNARP-GJZGRUSLSA-N 436.396 5.133 30 20 IKED C[C@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1nc(-c2ccncc2)cs1 609523328 DGLAGMLOPJFVHV-KRWDZBQOSA-N 440.528 5.147 30 20 IKED C[C@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1c(Cl)cccc1Cl 609579702 POQGDFXLTLRYPI-INIZCTEOSA-N 439.342 6.381 30 20 IKED CN1CCC[C@H](CNCc2cccc(OCCCC#N)c2)[C@H]1c1ccc(C(F)(F)F)cc1 609804996 IYLFGIUDBBURLJ-ZJSXRUAMSA-N 445.529 5.561 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)c2)cc1 609986422 SPOHBLNBKRUIMG-OAQYLSRUSA-N 431.293 5.059 30 20 IKED CN1CCC[C@H](CNc2c(C#N)nnc3ccccc23)[C@@H]1c1ccc(C(F)(F)F)cc1 610131308 NKIZEKMBGNQXQB-ZHRRBRCNSA-N 425.458 5.015 30 20 IKED C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1c(Cl)cc(C#N)cc1Cl 611093742 XOKZPKVKPAAEAZ-NSHDSACASA-N 426.141 5.379 30 20 IKED CC(=O)N1CCCCC[C@H]1C1CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 611271491 FNLPCPGWDMFECS-NDEPHWFRSA-N 445.607 5.140 30 20 IKED N#Cc1ccc(SCC(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)cc1 612502314 UMELSNIQFHTVRS-MRXNPFEDSA-N 443.288 5.223 30 20 IKED Cc1cc(Br)ccc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613403145 BSUBHJOWROFXTB-CYBMUJFWSA-N 439.256 5.876 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)C(F)(F)F 614252118 HXQMLQLYJCITSX-QKKBWIMNSA-N 441.457 5.025 30 20 IKED CC1(C)CN(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC[C@@H]1C(F)(F)F 682849301 NKPHCZPHZFHOMI-QCNOEVLYSA-N 442.366 5.516 30 20 IKED CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2cnnc2-c2ccccc2)cc1 725856126 LYNDRJNXPCBCCI-UHFFFAOYSA-N 448.530 5.467 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 726319603 LSGYVRPPDYQZEZ-ZDUSSCGKSA-N 449.841 5.443 30 20 IKED CC(C)(C)Sc1ccc(NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cc1 726848604 XAQZLJFDWZMYHX-UHFFFAOYSA-N 445.592 5.351 30 20 IKED CCN(C[C@@H](C)C#N)Cn1nc(-c2ccccc2Cl)n(-c2ccccc2F)c1=S 726964316 ZNBKZNIQJPCKLI-HNNXBMFYSA-N 429.952 5.302 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccc(OC(F)(F)F)cc3)n2)cc1 727632129 PBPADFUWWKLEPG-GOSISDBHSA-N 446.450 5.526 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)s2)cc1 727975089 PSAQFUPFYHWGCO-XYOKQWHBSA-N 425.506 5.049 30 20 IKED CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 729552692 IMJDVWSLXVFLNI-XXBNENTESA-N 448.567 5.111 30 20 IKED N#Cc1ccccc1COc1cccc(/C=C2/SC(=S)N(Cc3cccs3)C2=O)c1 731371377 BBJCWOLLHBOWSJ-CIAFOILYSA-N 448.594 5.600 30 20 IKED CCCOc1nc2ccccc2cc1/C=C\C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 731768071 ZXWIGSFRPAPKCR-YUIUBULTSA-N 446.457 5.658 30 20 IKED C#CCN(C(=O)Nc1ccccc1C(C)C)[C@H]1CCOc2ccc(Br)cc21 733616785 WEYLAYAAYOQUBJ-FQEVSTJZSA-N 427.342 5.563 30 20 IKED N#CCCN(C(=O)CCC(=O)O[C@@H](c1ccccc1)c1cccc(F)c1)c1ccccc1 733690939 XYAUZZFFPPLTHA-SANMLTNESA-N 430.479 5.185 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)c1 734997133 NTCPJHYMPXCSKN-UHFFFAOYSA-N 429.766 5.443 30 20 IKED COC(=O)N(C)Cc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 735255444 HOIMBLSQKAZDOH-UHFFFAOYSA-N 431.517 5.160 30 20 IKED COc1cc(/C=C\C(=O)c2cncc(F)c2)ccc1OCc1ccc(Br)cc1 737443335 HTBKGMDKEFOTER-YWEYNIOJSA-N 442.284 5.467 30 20 IKED CSc1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 741111667 UZBVEQCJURJYST-UGSOOPFHSA-N 428.966 5.829 30 20 IKED Cc1ccc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1NC(=O)OC(C)(C)C 742655383 MJXLSOKDVSBFKN-SFHVURJKSA-N 433.430 5.356 30 20 IKED COc1ccc(C=NN=C(C(=O)c2ccccc2)c2ccccc2)cc1OCCCC#N 747357010 HBQZGQSOWDLZJV-UHFFFAOYSA-N 425.488 5.084 30 20 IKED Cc1nc(NCC(=O)N[C@@H](CCC#N)c2ccccc2)c2cc(-c3ccccc3)sc2n1 749034640 LHXNDIRBXYIFCZ-NRFANRHFSA-N 441.560 5.240 30 20 IKED Cn1ccnc1SCc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 749171804 VPXHDMZQCMJIRF-XMMPIXPASA-N 438.556 5.620 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(OC)c(-c3ccccn3)c2)cc1 754818144 NHCOXGJNEDFRBH-QFIPXVFZSA-N 427.504 5.061 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1cc(Cl)sc1Cl)C(=O)Nc1ccccc1Cl 756232754 FXJKAWBVELDMNO-SNVBAGLBSA-N 429.712 5.019 30 20 IKED C#CC[C@@H](NC(=O)N(C)[C@H]1CCSc2ccc(Br)cc21)c1ccccc1 757777760 ILYYJWKQSDZKFR-MOPGFXCFSA-N 429.383 5.392 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC[C@@H](O)c3cc4ccccc4s3)cc2)cc1 758320437 OMMAVHBPSFOMPC-JOCHJYFZSA-N 428.513 5.223 30 20 IKED Cc1cc[n+](/C(C(=S)Nc2c(C)cc(C)cc2Cl)=C(/O)c2ccc(C#N)cc2)cc1 762445191 ISWUCLYREAFUEG-UHFFFAOYSA-O 434.972 5.748 30 20 IKED C[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1cccc(OCc2ccccc2)c1 769897202 IDWITCIPRBVRMU-DVECYGJZSA-N 448.526 5.153 30 20 IKED CC(C)c1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)nn1-c1ccccc1 772551737 OBBWPFXEQYPJJN-MRXNPFEDSA-N 441.318 5.264 30 20 IKED Cc1nc(CSc2ccccc2C(=O)O[C@@H](C#N)Cc2ccc(F)cc2F)cs1 774308508 AHLSWCGQMYQTPK-QGZVFWFLSA-N 430.501 5.314 30 20 IKED C[C@H](N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1ccc(OCC#N)cc1 776162380 GKYHDDFGTXPJRT-GKVSMKOHSA-N 434.923 5.454 30 20 IKED C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(-c2ccco2)nn(CN2CCC(C)(C#N)CC2)c1=S 779880272 ZEJNXDXYKMVDES-YDZRNGNQSA-N 425.602 5.254 30 20 IKED C=CCCN(OCc1ccccc1)C(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 783873870 POCWGKWAKYLFGV-UHFFFAOYSA-N 440.902 5.279 30 20 IKED CC[C@H](NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1)c1ccccc1 787041338 OSIDHLHPJYNXRC-RPBOFIJWSA-N 440.499 5.271 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)Nc1sc2c(c1C#N)CCCC2 790622085 GOVOSJIZGLKBIR-UHFFFAOYSA-N 425.554 5.417 30 20 IKED CCC1(c2ccc(Cl)cc2)CCN(CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)CC1 791547279 UHMYSLHKIRLNDP-OAQYLSRUSA-N 444.966 5.321 30 20 IKED N#C[C@H](C(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nccc2ccccc12 792100769 MDNXJXDNUXVEMS-QGZVFWFLSA-N 438.327 5.528 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 797569488 QSKJUUWIVTVMSX-GFCCVEGCSA-N 440.447 5.046 30 20 IKED COCC[C@H](Cc1cccc(Br)c1)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797571395 OJDRMPLDSVYGMW-NVXWUHKLSA-N 449.414 5.275 30 20 IKED CC(C)C(=O)c1ccc([C@@H](C)C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 802042908 YVWGRNWKUJFVKC-YJYMSZOUSA-N 431.319 5.283 30 20 IKED N#CC1(OCCOC(=O)c2c(Cl)cccc2Oc2ccccc2Cl)CCOCC1 809080764 UZXNBYSSYMGSIE-UHFFFAOYSA-N 436.291 5.032 30 20 IKED COCCOCc1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc1 809151594 BUXHLOIZPSYXSB-XLNRJJMWSA-N 429.541 5.883 30 20 IKED COc1c(O)cccc1/C=C(\C(=O)Nc1c(C)cc(C)cc1Cl)C(=O)c1ccccc1 810236618 JFHPFXRNLVIRCW-RGEXLXHISA-N 435.907 5.576 30 20 IKED CC(=NNc1nc(-c2ccccn2)nc2c1CCC2)c1csc(-c2ccccc2F)n1 812226228 JTPJIKUSTFTVQQ-UHFFFAOYSA-N 430.512 5.126 30 20 IKED N#C[C@@H](C(=O)[C@@H](Sc1ccccc1F)c1ccccc1)c1cc(C(F)(F)F)ccn1 813211471 KXGMVNQCMCUSSG-IERDGZPVSA-N 430.426 5.949 30 20 IKED O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)C(F)(F)c1c(F)cccc1F 857503235 YPSALOIIWASITN-GOSISDBHSA-N 449.366 5.360 30 20 IKED COC(=O)c1sc2ncc(C(=O)/C=C\c3ccccc3OCc3cccnc3)cc2c1C 915987121 SYPQKFONWACKQA-KTKRTIGZSA-N 444.512 5.261 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1sc2ccccc2c1Cl 916883774 OOUJZZGYXYZSKU-CYBMUJFWSA-N 436.892 5.831 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 916913697 RJJLDCWEBMALDB-INIZCTEOSA-N 428.332 5.248 30 20 IKED N#C[C@H](C(=O)Cn1c(SC(F)F)nc2ccccc21)c1nc2cc(Cl)ccc2s1 917042722 DHPROAABCPRSHU-LLVKDONJSA-N 448.907 5.491 30 20 IKED O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918736404 YQXMVOPEOVGVCQ-KNVOCYPGSA-N 444.681 5.834 30 20 IKED Cc1c(C(=O)O)oc2c1C(=O)/C(=C\c1cccc(NC(=O)c3ccc(Cl)cc3)c1)CC2 920065654 COQZFOPYTOQDCA-WJDWOHSUSA-N 435.863 5.404 30 20 IKED N#C[C@H](C(=O)C1(c2cccc(Cl)c2)CCOCC1)c1nc2cc(Cl)ccc2s1 920113001 ODHKGXOFGWMZMV-MRXNPFEDSA-N 431.344 5.528 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCc3cccnc3C)cc2)CCC1 1786745045 DXZLRBDEOYTLHG-DEOSSOPVSA-N 431.580 5.225 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cnn(C(C)(C)C)c3)cc2)CCC1 1787068559 HLNLFOBKAPXFHP-UHFFFAOYSA-N 434.584 5.154 30 20 IKED Cc1cccc(-c2ncccc2C(=O)NC2(c3ccc(NC(=O)CCC#N)cc3)CCC2)c1 1787885734 IPOYQDOTMLBOMP-UHFFFAOYSA-N 438.531 5.109 30 20 IKED C/C=C/C=C\C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792169127 VLTGWODZEXJSSK-LMJRQTCTSA-N 443.547 5.225 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(CCC)cc2)[C@@H]1c1cccnc1 1812026576 MNWOXMUQZNGQSO-UIOOFZCWSA-N 445.607 5.122 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(C)c(C)c2)n[nH]1 1815631422 SZDSFQFDROKIQA-GMAHTHKFSA-N 434.584 5.030 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCn2cccc2)CC1 1824143534 RABARZWJSOJACO-VWLOTQADSA-N 439.644 5.047 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccccc2Cl)CC1 1826570795 OORNCHSWLVONKW-CVDCTZTESA-N 431.020 5.105 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(F)c2)CC1 1828826881 DOQOHJNNZJBLES-REWPJTCUSA-N 446.994 5.481 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3ccoc3c2)CC1 1829067600 SIHSUOACYYVADW-JOCHJYFZSA-N 437.584 5.054 30 20 IKED CC[C@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)CC1 1830633750 SNOHTJRWAVFNCH-YMVVMYQSSA-N 449.639 5.202 30 20 IKED CC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)CC1 1831695930 HQUUZXVZFJDXHV-QFZRFWILSA-N 435.612 5.008 30 20 IKED CC(C)C1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)CCC1 1832494286 XQXLAKPIOQVNKV-BWKNWUBXSA-N 449.639 5.373 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC2Cc3ccccc3C2)CC1 1832954389 DAFUYLNKGYINHC-KAYWLYCHSA-N 448.651 5.180 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cc(Cl)c(Cl)c(Cl)c1)C2 1844205329 VGNWPIRVQRFAIJ-HNNXBMFYSA-N 441.786 5.232 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2ccc(C)c(F)c2)cc1 11082959 PIRJAQKPHBXAAM-UHFFFAOYSA-O 435.588 5.960 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccccc2C(F)(F)F)[n+]2cccc(O)c2)cc1C 11156939 LJPSFMHFGSZDRS-UHFFFAOYSA-O 445.486 5.366 30 20 IKED CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1ccccc1 12670155 BIXANWFOCBJVBP-XMMPIXPASA-N 438.556 5.215 30 20 IKED CCc1cccc(CC)c1/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)S1 15231703 SSCXSKSKNRAZJD-QGZVFWFLSA-N 449.498 5.078 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)cc3)o2)nc2cc(Cl)ccc2c1=O 17674068 XSSUPKBUQKFAFT-CQSZACIVSA-N 438.940 5.448 30 20 IKED N#CCSc1ccccc1NC(=O)CSc1nc2c(n1-c1ccccc1)CCCC2 21179051 HKDJOLOTHHNWLW-UHFFFAOYSA-N 434.590 5.098 30 20 IKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2cccc(O)c2)c(Cl)c1 22732774 PVYORIGJBMMDGU-UHFFFAOYSA-O 447.914 5.279 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 22732847 DPBDKYHRKJVOSJ-UHFFFAOYSA-O 444.045 6.228 30 20 IKED CN/C(S)=C(/C(=O)c1ccc(Cl)cc1Cl)[n+]1ccc(Cc2ccccc2)cc1 22733565 ZAGHFVGCGSCJCR-UHFFFAOYSA-O 430.380 5.030 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2C(C)C)c1 23584765 CIZPQJLXZCRJOK-LJQANCHMSA-N 448.592 5.022 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(-c2ccsc2)nc1C 97542512 QRBNMKJQTFOCHP-UHFFFAOYSA-N 439.540 6.130 30 20 IKED C[C@H](Sc1nnc(C[C@@H](C)c2ccccc2)o1)C(=O)Nc1ccc(C#N)c(Cl)c1 302773597 GOAHOSRFZJQSKA-KGLIPLIRSA-N 426.929 5.060 30 20 IKED CCC(CC)[C@@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccccc1 409515886 VFJSKFQEZQOMKY-XMMPIXPASA-N 432.568 5.096 30 20 IKED CN(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 428864954 AZLAFYBQCMWRGI-IBGZPJMESA-N 445.832 5.274 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F 432069405 MQOAIOHYNYBXRX-CQSZACIVSA-N 444.734 5.372 30 20 IKED CCCc1c(N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)cnn1-c1cccc(C#N)c1 439063309 FXKHSWJWLLVNOX-QGZVFWFLSA-N 428.540 5.153 30 20 IKED C=CCC[C@H](NC(=O)NC1CCN(c2ccccn2)CC1)c1ccc(C(F)(F)F)cc1 440816222 LWNWBRQRVIQUGQ-FQEVSTJZSA-N 432.490 5.076 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CCOc2c(F)cccc21 443604211 LCTYHAYWLRELBB-QHCPKHFHSA-N 431.467 5.230 30 20 IKED CCOC(=O)c1sc([C@@H](C)NCCC(C#N)(c2ccccc2)c2ccccc2)nc1C 444684950 OTRUQLDAZJBSNG-LJQANCHMSA-N 433.577 5.179 30 20 IKED Cc1nc(C(F)(F)F)c(CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)s1 444743285 KWZPIXNLGLZMBQ-LLVKDONJSA-N 436.343 6.272 30 20 IKED Cn1ncc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1Cc1ccccc1 445204561 RLCXXRVBMCNGTF-QFIPXVFZSA-N 440.934 5.572 30 20 IKED Cc1c(Cl)cccc1NC(=O)Cc1noc(/C=C/c2cn(CCC#N)c3ccccc23)n1 445334215 WVLOMFVJHVJJQL-ZHACJKMWSA-N 445.910 5.251 30 20 IKED CCOc1ccc(-c2nc(CSCC(=O)Nc3cc(Cl)ccc3C#N)co2)cc1 448233646 GTMVSACOZGQVHQ-UHFFFAOYSA-N 427.913 5.137 30 20 IKED CCN(C)C(=O)c1cccc(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)c1 460153243 WTDRHNJNFGFGRU-UHFFFAOYSA-N 431.923 5.151 30 20 IKED C[C@H](NCc1nnc(-c2cc3c(s2)CCCC3)o1)c1ccc(-c2cccc(C#N)c2)cc1 461377443 VOZWTRMOYYPHFU-KRWDZBQOSA-N 440.572 6.066 30 20 IKED C[C@@H](C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(Br)s1 463395497 RKYOUACOULVPFQ-CQSZACIVSA-N 441.350 5.703 30 20 IKED C[C@@H](NC(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(C#N)cc1 465655832 GJUJIBYDZKFTET-CYBMUJFWSA-N 430.455 5.261 30 20 IKED Cn1c([C@H](NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c2ccccc2)nc2ccccc21 465821556 UEKWTBURCCAVMW-LLZJGCNPSA-N 449.558 5.144 30 20 IKED Cc1csc([C@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C2CC2)n1 466088459 GHKPMEIZBRYHQR-JOCHJYFZSA-N 432.549 5.369 30 20 IKED O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 466502580 JHGTWQDCDVCTJM-ZIAGYGMSSA-N 425.388 5.861 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCCC1=CCCCCC1 467519310 DCBGYPSIFRTQOG-UHFFFAOYSA-N 439.503 5.046 30 20 IKED C[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1ccc(OCC(F)(F)F)cc1 468993508 OFMXWQGBXDRWHI-INIZCTEOSA-N 429.442 5.377 30 20 IKED COc1ccc2c(c1)CN(C(=O)CSCc1ccc(C#N)cc1)[C@@H](c1ccccc1)C2 469466120 FYEOKZLHAZPRLY-RUZDIDTESA-N 428.557 5.126 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)CCCc3ccc4ccccc4c3)ccc21 469952316 HAOVYZZZNAUDGR-UHFFFAOYSA-N 425.532 5.384 30 20 IKED N#CCCn1cc(C(=O)CN2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c2ccccc21 472257560 LAPQTWUVPCNYDC-HSZRJFAPSA-N 439.519 5.015 30 20 IKED COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 475452382 UJJMWVCYRYESIG-LJQANCHMSA-N 427.342 5.236 30 20 IKED COc1cccc(F)c1NC(=O)c1sc(-c2ccc(OCC(C)C)c(C#N)c2)nc1C 478637551 GMLQPYLOICLXOU-UHFFFAOYSA-N 439.512 5.425 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccccc2CN2CCSCC2)cc1 481171767 PYNTWHMMXLEHQE-UHFFFAOYSA-N 445.613 5.511 30 20 IKED N#CCCN(C(=O)c1ccc(-c2nc3ccccc3s2)s1)c1ccc2c(c1)OCCO2 486220863 KYDUTBGRRWRWJL-UHFFFAOYSA-N 447.541 5.356 30 20 IKED C[C@H](Sc1nnc(-c2ccc3ccccc3c2)o1)C(=O)Nc1sc2c(c1C#N)CCC2 488710679 GDPIGVWGPBOHGT-ZDUSSCGKSA-N 446.557 5.431 30 20 IKED C[C@H](NC(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1nc(C(F)(F)F)cs1 489055792 SWKGJDJUPMKYRO-UPONEAKYSA-N 449.779 5.618 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2c(F)cc(F)cc2F)nnc1-c1cccc(Cl)c1 489651345 IABRNSOBCLPALC-LLVKDONJSA-N 437.874 5.565 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(Cc3ccccc3)CC2)cc1C 491996689 OWHNNZYOUGWPCE-UHFFFAOYSA-N 426.564 5.176 30 20 IKED Cc1nc(NC(=O)c2ccc(Br)c(C(F)(F)F)c2)sc1SCC#N 495175565 PUMSZJTVMUGOES-UHFFFAOYSA-N 436.278 5.101 30 20 IKED C[C@@H](Nc1cccc(COc2cccc(F)c2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 495548952 SMFYRJFHRVVOAK-OAHLLOKOSA-N 435.524 5.266 30 20 IKED Cc1cc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)nn1-c1ccc(Cl)cc1Cl 498091851 MFKKDNXFHPLBAQ-UHFFFAOYSA-N 440.212 5.025 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1 498722740 ZIGVQTRZFQJZMA-HNNXBMFYSA-N 429.512 5.178 30 20 IKED N#C[C@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)c1ccc(Br)cc1 499391598 BSYOXUKNFBWNLA-KRWDZBQOSA-N 446.757 5.150 30 20 IKED N#C[C@@H](NC(=O)c1ccc(COc2cccc(Br)c2)o1)c1ccc(Cl)cc1 499809380 PYXFUXQWURPNAY-GOSISDBHSA-N 445.700 5.269 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](CC1CCCC1)c1ccccc1 503653852 SRHGFMWWAIKRPS-GCJKJVERSA-N 435.593 5.315 30 20 IKED Cc1nc(-c2ccc(CCNC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)s2)cs1 504086229 IMDPFHWLQJLZBM-UHFFFAOYSA-N 434.590 5.093 30 20 IKED Cc1nc(-c2ccc([C@H](C)NC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)cc2)cs1 505249676 UEEUWEKTFPYQEZ-INIZCTEOSA-N 448.567 5.223 30 20 IKED Cc1nc(SCC(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)c(C#N)c(C)c1C 505725425 KLJBWCCUPTVSLE-UHFFFAOYSA-N 438.940 5.450 30 20 IKED CC(C)(C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1cc(F)cc(C#N)c1 507765685 FVGQETVCTMFMAD-UHFFFAOYSA-N 441.934 5.330 30 20 IKED C=CCC[C@H](NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1ccc(C(F)(F)F)cc1 508251531 LKDSMPSRLOPHCN-MJGOQNOKSA-N 447.505 5.297 30 20 IKED C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(c2nc3ccccc3[nH]2)CC1 508489813 OUWTVHCFWMCQFU-KRWDZBQOSA-N 446.530 5.004 30 20 IKED C[C@H]1CCCCN1CCCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510003729 AUJUWGTXKWYQEJ-CVDCTZTESA-N 439.003 5.772 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccccc2CN2CCCC2)cc1 510521725 DPQUVBGUAGSZOA-UHFFFAOYSA-N 426.520 5.268 30 20 IKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)Nc3ccc(C(C)(C)C#N)cc3)c2)c1 510607444 VLEOAVVTNZFEFI-UHFFFAOYSA-N 441.535 5.762 30 20 IKED Cc1ccc(OCc2cccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c2)cn1 512976087 SGBYLQOATGGLON-LJQANCHMSA-N 432.430 5.204 30 20 IKED COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 514762552 NEWMRHHCFJIGOU-XMMPIXPASA-N 428.492 5.295 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCc2ccc(O)cc2C1 514890590 LIGMKMZVRYRXRM-SFHVURJKSA-N 426.520 5.026 30 20 IKED CCOc1ccc(-c2nc(CC(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)cs2)cc1 518024933 BYNLQGITIPGXFB-GOSISDBHSA-N 446.359 5.439 30 20 IKED CCCN(Cc1ccccc1)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 518676005 ZZYWHIKFDLHVSX-UHFFFAOYSA-N 449.498 5.088 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1OC 518917997 IFGSWINLZQUACL-DEOSSOPVSA-N 442.515 5.539 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 519086898 FEVSPWPJJPSUGT-ZDUSSCGKSA-N 441.990 6.447 30 20 IKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(F)cc1 519088689 LBKIODQFQTZHDK-HSZRJFAPSA-N 445.494 5.332 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)o1 519515331 COQQBLXAKTVOMC-ZDUSSCGKSA-N 428.514 5.001 30 20 IKED CC[C@H](CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 520072448 QLKPNPUYIZWKJL-WZONZLPQSA-N 445.950 5.244 30 20 IKED CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 520449941 JMBOHTKOTNRIRU-KRWDZBQOSA-N 445.544 5.076 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)nnn1-c1ccc2ncccc2c1 520916185 PEELLCFLJXKPEH-UHFFFAOYSA-N 446.470 5.040 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N(Cc2cccnc2)Cc2ccco2)c1 523878490 VMCHOVHZVUXECK-UHFFFAOYSA-N 443.890 5.835 30 20 IKED CCO[C@@H](C)c1nc(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cs1 524212198 JPQWYVOPHNSJEI-MGPUTAFESA-N 439.968 5.731 30 20 IKED CC(=O)N(c1nc(CSc2ccc(C#N)cc2F)cs1)c1c(C)cc(C)cc1Cl 524987533 IJORCAUJBGAPBT-UHFFFAOYSA-N 445.972 6.401 30 20 IKED CCn1cnnc1-c1cccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1 534900206 JJXCLBDCNSBUAG-UHFFFAOYSA-N 443.894 5.535 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccccc1CCC(F)(F)F 535349641 JRXRUASVBZAXRC-UHFFFAOYSA-N 437.355 5.851 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(Cc3cccnc3)CC2)cc1 536735163 OFUBAPSFAVSEIG-UHFFFAOYSA-N 442.519 5.241 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 538026010 SBPCOXRISAZPOA-ORPRQENYSA-N 433.936 5.383 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)cc1F 540105189 AEIBPGJFXDLUGZ-DVECYGJZSA-N 431.467 5.389 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N(Cc2ccco2)Cc2cccs2)n1 542964224 JAEGIHSKBWMLCX-UHFFFAOYSA-N 437.912 5.286 30 20 IKED Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 543916786 HFAHDOUWRSFCBC-FQEVSTJZSA-N 434.569 5.095 30 20 IKED CN(C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 544569671 LLQPOIXINIMJMV-LOSJGSFVSA-N 429.495 5.433 30 20 IKED COc1cc(C#N)ccc1NC(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 545999103 IXNBZTDRFRLTTH-UHFFFAOYSA-N 432.427 5.031 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)N(C1CCCCC1)C1CCCCC1 549196127 ABLAYMZYPOZXOW-UHFFFAOYSA-N 439.987 5.329 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(Br)c3Cl)cc2)nc1 549322029 KKBHAYSBEBUNBW-UHFFFAOYSA-N 428.673 5.414 30 20 IKED C=CC1CCN(c2nnc([C@@H](C)Oc3ccc4ccccc4c3)n2C[C@H]2CCCO2)CC1 555393420 ACRPGQMLAQREDW-NTKDMRAZSA-N 432.568 5.153 30 20 IKED C[C@H](NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccc(C#N)cc1 556405235 UYRKJKFFICQTDE-YCRPNKLZSA-N 431.458 5.105 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1)C1CC1 557486183 HQVBUNPAVCTNKY-UHFFFAOYSA-N 427.529 5.477 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccccc2N2CCC(O)CC2)cc1Cl 560110588 KWKIHZMNZSQKTC-UHFFFAOYSA-N 447.922 5.217 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3cc(C#N)ccc3NC3CC3)c12 560712445 ZQODLLUUKVGEAD-UHFFFAOYSA-N 428.540 5.070 30 20 IKED CN(Cc1nc(-c2cccs2)no1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 564436471 WLUKRYPSMIMTKZ-UHFFFAOYSA-N 431.477 5.126 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 564522384 WXLBQQHXYVYNPM-UHFFFAOYSA-N 440.528 5.667 30 20 IKED N#Cc1ccc(N2CC[C@H](Sc3ncnc4scc(-c5ccc(F)cc5)c34)C2=O)cc1 589722515 NABLRSHFIHTDCX-IBGZPJMESA-N 446.532 5.267 30 20 IKED CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1 603692022 OTRCUEREHRNGED-QGZVFWFLSA-N 443.507 5.052 30 20 IKED COc1ccc(Cl)cc1NC(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCC2 603818327 AXIKRPWJHWDOQF-UHFFFAOYSA-N 439.924 5.095 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)COc2ccc(C(F)(F)F)cc2)cc1 604003122 CUDGPZHHLCEMCF-UHFFFAOYSA-N 440.421 5.368 30 20 IKED N#Cc1cccc(COc2cccc(NCC(=O)Nc3ccccc3-c3ccccc3)c2)c1 604007147 QEOQYJJXLBCNPA-UHFFFAOYSA-N 433.511 5.855 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccccc3N3CCCC3)c2)cc1 604362513 URCGCAVXNVMRJI-UHFFFAOYSA-N 440.547 5.254 30 20 IKED CCc1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nn1-c1ccccc1 605257658 YYSUWCXPXQUETC-QGZVFWFLSA-N 433.924 5.097 30 20 IKED Cn1c(-c2cccc(NC(=O)c3occc3COc3cccc(C#N)c3)c2)nc2ccccc21 608805398 BSRTVABIBUVPBU-UHFFFAOYSA-N 448.482 5.536 30 20 IKED COc1ccc([C@@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2ccccc2)cc1 609054657 FWUNMCRJEHAKKW-SANMLTNESA-N 438.483 5.258 30 20 IKED COCCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)[C@H](C)c1ccccc1 609078160 DORNXLLEARCKMY-OAQYLSRUSA-N 443.547 5.687 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)c3cc(N4CCCC4=O)cc(C(F)(F)F)c3)c2C#N)C1 609115835 DJEUNMIKZHQIMQ-LBPRGKRZSA-N 447.482 5.142 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c12 609376925 LFZAUDOJVBCGJX-MRXNPFEDSA-N 449.624 6.122 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1coc(-c2cccs2)n1 609388940 MSOAEVGEOTYPAY-AWEZNQCLSA-N 429.592 5.527 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 609404855 VBNZVTDMUDCVMZ-QVKFZJNVSA-N 441.984 5.188 30 20 IKED COc1ccc(-c2nc3c(s2)[C@H](NC(=O)CSCc2ccc(C#N)cc2)CCC3)cc1 609455808 VQBFWOPQDFXFNC-HXUWFJFHSA-N 449.601 5.117 30 20 IKED N#C[C@@H](NC(=O)c1ccc(N2CCc3ccccc3C2)cc1)c1ccccc1Br 609589846 NOQUTPAZFCSNKA-HSZRJFAPSA-N 446.348 5.006 30 20 IKED C=CCN(C(=O)Cc1c[nH]c2ccc(F)cc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 609640611 JIBAASBQVOXEAV-UHFFFAOYSA-N 436.468 5.100 30 20 IKED C[C@H](c1ccccc1)n1ccc(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)n1 610734648 CWAAGDQXZQYJEB-MRXNPFEDSA-N 428.521 5.055 30 20 IKED CC[C@@H](C)c1ccc2nc(N(Cc3ccccc3)C(=O)Cn3ccnc3C#N)sc2c1 611290928 SIAQNTCCPURRTC-QGZVFWFLSA-N 429.549 5.111 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)NCc2cccc(OCc3ccccn3)c2)cc1 611359851 UADDLEFLLJDEML-UHFFFAOYSA-N 448.526 5.199 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1nc2cc(Cl)ccc2s1 613407033 DRPVIHIUFFCLFT-CYBMUJFWSA-N 446.841 5.644 30 20 IKED O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618556472 ZPAZAGGSFZRBFG-JFIYKMOQSA-N 448.382 5.687 30 20 IKED CC(C)n1c([C@@H]2CCCN(C(=O)c3cc(-c4cccc(C#N)c4)no3)C2)nc2ccccc21 619113270 PWVWKQVAILYPPQ-HXUWFJFHSA-N 439.519 5.164 30 20 IKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccc(Cl)cc1F 644970923 UNNBQNFFNOZRAX-UHFFFAOYSA-N 445.718 5.614 30 20 IKED C=CCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 669818290 NYHHWFOITTUSEP-BZUAXINKSA-N 432.412 5.183 30 20 IKED CCn1c([C@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nc2ccccc21 726074485 PWSJLBBIXJBQSC-ZEQKJWHPSA-N 449.558 6.081 30 20 IKED COc1ccc(OC)c(NC(=S)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 726468662 LHYBQATXWKFBKI-UHFFFAOYSA-N 433.533 5.158 30 20 IKED C=CCCC(=O)OCC(=O)N(CC=C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 726655321 NVCWJLCQTSOLAT-UHFFFAOYSA-N 425.337 5.145 30 20 IKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cnc(Cc2ccc(F)cc2)s1 727233621 SZMGQWDRMPDZPT-MRXNPFEDSA-N 448.306 5.141 30 20 IKED COc1cc(/C=C\C(=O)c2sc(-c3ccc(Br)cc3)nc2C)ccc1O 727780615 QIYDNTDGRDPSPM-WMZJFQQLSA-N 430.323 5.491 30 20 IKED Cc1ccc(C)c(-n2c(-c3ccccc3Cl)nn(CN(C)[C@@H](C)CC#N)c2=S)c1 728902290 NNOWDXQQLKKKTM-KRWDZBQOSA-N 425.989 5.532 30 20 IKED CN(C(=O)C1CC1)c1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 729319733 OLSYDMGECNJWLC-JOCHJYFZSA-N 443.934 5.621 30 20 IKED N#C[C@@H](C(=O)[C@@H](Sc1ccccc1F)c1ccccc1)c1nc2cc(F)ccc2s1 730420208 BHTLJXNVAJOTOL-AOMKIAJQSA-N 436.508 6.284 30 20 IKED CC(C)(C)OC(=O)NC1CCC(=NNc2nnc(-c3ccccc3)n2-c2ccccc2)CC1 731925480 GKUAJHSAMUNDSS-UHFFFAOYSA-N 446.555 5.170 30 20 IKED COc1cc(/C=C\C(=O)c2sccc2C)ccc1OCC(=O)Nc1ccccc1Cl 733749528 NNKRNWBJFLTHKN-CLFYSBASSA-N 441.936 5.632 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)c1 733772075 ZCPQOTRVMPDYND-ZJSXRUAMSA-N 434.536 5.656 30 20 IKED CC[C@H](C#N)Oc1cccc(CNCc2c(C)nn(-c3ccc(Cl)cc3)c2Cl)c1 733800042 CFRMGGAJMCCOHG-LJQANCHMSA-N 429.351 5.458 30 20 IKED COc1cc(F)c([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC 734060176 PVFFGKWKIBCZQN-IIBYNOLFSA-N 433.483 5.381 30 20 IKED CCCCCCC[C@H](C)CNC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 734166233 PKBXVGIGHKMRCL-INIZCTEOSA-N 426.523 5.705 30 20 IKED C[C@H](OC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nc(O)c2ccccc2n1 735165824 RHISYVUWSZNUPK-AWEZNQCLSA-N 445.862 5.571 30 20 IKED CCOc1c(Br)cc(Br)cc1/C=C\C(=O)c1cncc(F)c1 737443430 IVBZMGNWBWCUBX-ARJAWSKDSA-N 429.083 5.041 30 20 IKED COc1ccc(/C=C2\C(=O)c3cccc(Br)c3[C@@H]2C)cc1OCCCC#N 742434340 FVNFVSQYIFHPHW-MTOJCTJASA-N 426.310 5.524 30 20 IKED CN(C[C@@H]1CCCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C(=O)OC(C)(C)C 742886224 MOGSVUCOQPNUAH-NRFANRHFSA-N 449.551 5.016 30 20 IKED CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(C#N)o2)NC(=S)N1c1ccccc1 743738365 GHMTYHNNTWNPKO-QHCPKHFHSA-N 442.544 5.117 30 20 IKED O=C(c1sccc1-c1ccc(F)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 743870121 GKRXNQWVHJZBFY-RYUDHWBXSA-N 425.369 5.757 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)cc1 744936862 XWGSOVROWZFCFB-OAHLLOKOSA-N 444.343 5.640 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2nc3ccccc3s2)cs1)c1ccc(F)cc1F 746013560 BTECYRNXGCOHIH-CLFYSBASSA-N 441.484 5.612 30 20 IKED COc1ccc(CNC(=O)N(Cc2ccc(-c3ccccc3OC)cc2)C(C)C)cc1C#N 747430129 HLVYUDAAOGJJQP-UHFFFAOYSA-N 443.547 5.363 30 20 IKED CC(=NNc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(Cl)sc1Cl 748086190 ZKDXIWSVHFISFP-UHFFFAOYSA-N 447.394 5.148 30 20 IKED CC(C)c1ccc(C2(O)CCC(=NNc3c(F)cc(C(=O)NC4CC4)cc3F)CC2)cc1 753931952 KVKPCQOTZFLBFH-UHFFFAOYSA-N 441.522 5.210 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)cc1 756962945 JYQSWNKJBMGNAJ-UNMCSNQZSA-N 432.545 5.449 30 20 IKED CC[C@@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC[C@@H]1NC(=O)OC(C)(C)C 757329029 UXUMQCJRDFPJEP-XXBNENTESA-N 448.567 5.067 30 20 IKED O=C(C[C@H]1SC(=Nc2ccsc2)N([C@@H]2CC23CCCC3)C1=O)Nc1ccccc1F 757922481 ZCSJYZXICANWNJ-QZTJIDSGSA-N 443.569 5.180 30 20 IKED C=CC[C@@H](N[C@@H](C)c1sc(-c2ccccc2Br)nc1C)c1ccncc1 766020961 RVHOTNQPXHKEFM-IFXJQAMLSA-N 428.399 6.244 30 20 IKED C[C@H](NC(=O)c1ccc(Cl)nc1C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 766868813 KJESPZSHHJWIAX-ZDUSSCGKSA-N 429.829 5.783 30 20 IKED N#C[C@H](NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1cccc(C(F)(F)F)c1 768182336 YYTFPYSVWVKSKS-QMMMGPOBSA-N 443.039 5.709 30 20 IKED C[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)c1ccc(Br)cc1 770420375 WEZNREULFYRNDF-GUYCJALGSA-N 426.339 5.338 30 20 IKED N#CCSc1ccccc1C(=O)N1CCC(COc2ccccc2C(F)(F)F)CC1 772505105 QCVLVLHGGHWPSM-UHFFFAOYSA-N 434.483 5.252 30 20 IKED Cc1cc(C[C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)n(-c2ccccc2)n1 773263538 XCUJCUYLQCANBA-NFQMXDRXSA-N 449.558 5.589 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)[C@H](Oc1cc(Cl)ccc1Cl)c1ccccc1 780163001 GLEYWGDOOKEDSX-IVZQSRNASA-N 441.314 6.043 30 20 IKED CCN(Cc1ccccc1NC(=O)Nc1ccccc1O[C@H](C)C#N)C(=O)OC(C)(C)C 780581201 MRYYFGYPKJJUTL-QGZVFWFLSA-N 438.528 5.378 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NC(=O)Nc3ccccc3O[C@H](C)C#N)s2)cc1 780672727 IRMMQMQNSIDZSN-ZBFHGGJFSA-N 436.537 5.301 30 20 IKED O=C(O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cnn(CCC(F)(F)F)c1 784063800 AWNIVBXBNJSIQS-GFCCVEGCSA-N 434.258 5.315 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C/c2cn(C(C)(C)C)nn2)C(=O)c2ccccc2)c(Cl)c1 790213737 AQORHBGCBSZUGA-CPNJWEJPSA-N 436.943 5.208 30 20 IKED COc1cccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCCCCC#N)c1OC 791111454 VHGPJSRWGRFWFK-ZCXUNETKSA-N 442.515 5.589 30 20 IKED Cc1ccc(COc2cccc(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)c2)cc1 800539190 QNDIIZIKXHOWHA-UHFFFAOYSA-N 426.520 5.058 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 800576996 DFULYYNSLDCBRY-UHFFFAOYSA-N 427.589 5.450 30 20 IKED CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[C@@H](C#N)c1nc2ccccc2s1 805845461 VWYIKUPHFORCNM-XLIONFOSSA-N 449.576 5.765 30 20 IKED N#Cc1cc(C(=O)OCc2csc(Cc3ccc(Cl)cc3)n2)cnc1C(F)(F)F 815478823 JYYVBVPUKIGXBW-UHFFFAOYSA-N 437.830 5.030 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc(Br)c2ccccc2c1 815907426 AIFSWAXLXQKRRT-HNNXBMFYSA-N 427.685 5.217 30 20 IKED Cc1c(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccncc2)cnn1-c1ccccc1 818252818 MCPFTFFWOBNSNP-SEYXRHQNSA-N 431.499 5.325 30 20 IKED C=CCN(C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1)C(C)C 914683035 BXRYQRWGJFMSOD-UHFFFAOYSA-N 448.588 5.119 30 20 IKED CC(=O)N(c1ccccc1)c1nc(C=NNc2c(Cl)cc(Cl)cc2Cl)cs1 916249090 OMEDETNGDUAIJB-UHFFFAOYSA-N 439.755 6.234 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 916903643 PZRGGWUTMPYPSP-OAQYLSRUSA-N 428.488 5.235 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)COc1ccc(-c2ccccc2)cc1Cl 916923751 SFUGFBTXHOLNOM-IBGZPJMESA-N 448.906 5.132 30 20 IKED CCCCOc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1OCC 916939744 QQQWLTRWQMPYDU-MRXNPFEDSA-N 432.879 5.018 30 20 IKED N#C[C@H](C(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1nc2cc(Cl)ccc2s1 917044449 SCEJJODVUOLAAL-CQSZACIVSA-N 443.315 5.462 30 20 IKED O=C1/C(=C/c2ccccc2F)CC2(C/C1=C\c1ccccc1F)C(=O)Nc1ccccc12 917517520 GUFNKVSTVQGFGT-IWGRKNQJSA-N 427.450 5.685 30 20 IKED Sc1nnc(-c2cccc(Br)c2)n1N=Cc1csc(-c2ccccc2)n1 917594790 LKEGSUVWDMVYDW-UHFFFAOYSA-N 442.367 5.002 30 20 IKED COc1ccccc1-c1nn(CN(CCC#N)CC(C)C)c(=S)n1-c1ccc(C)cc1 919944342 DDEYDCKPFFIBDE-UHFFFAOYSA-N 435.597 5.216 30 20 IKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(Cl)cc2)s1 920171897 XGHXZNUDCFAALY-SCLBCKFNSA-N 448.013 5.071 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4ccc(Cl)cc4nn3)cc2)CCC1 1788494825 RNZLMRNPLUSJCH-INIZCTEOSA-N 448.954 5.243 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@@]3(F)CCCCC3(F)F)cc2)CCC1 1789165994 DNXFFYJOEGQJKW-FQEVSTJZSA-N 444.444 5.250 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3ncccc3C)CCC2)cc1 1789453076 JGWDAZKMHQZCKG-HSZRJFAPSA-N 431.580 5.225 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccsc5[nH]4)CCC3)cc2)c1 1790258693 JQXQAJNRYQCGPU-UHFFFAOYSA-N 440.528 5.163 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(N(C)C)c2ccccc12 1797464348 NSBZLFGVOKWRPZ-WKCHPHFGSA-N 447.623 5.150 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)/C(C)=C/c2cccs2)[C@H]1c1cccnc1 1802435215 BFALTKVHJYGLDJ-GAYSOSQNSA-N 449.620 5.021 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc(C)c2ccccc12 1804611683 TUCGGIKMUMBJBE-NDBXHCKUSA-N 444.619 5.487 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc4ccsc4[nH]3)CC2)C1 1804866715 KZTYNEPTWCMOBE-UHFFFAOYSA-N 427.614 5.067 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)CCc3ccccc3Cl)C2)CC1 1809355276 DZGBWMIGBOMPPG-JOCHJYFZSA-N 443.031 5.272 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3[nH]c(C)cc3c2)[nH]n1 1819308823 DQLOMOQZGRKGSV-OFNKIYASSA-N 445.567 5.274 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4ccc(C)cc4s3)n[nH]2)C1 1821524283 AONSKBTUFRUSMP-LJQANCHMSA-N 434.565 5.205 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2C)[nH]n1 1821929163 VQGYKTQJVSUZMX-KUHUBIRLSA-N 448.489 5.255 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2C2CC2)n[nH]1 1823130193 IZBZLVWFNFNVSV-HSZRJFAPSA-N 432.568 5.361 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C(C)=C/c2ccc(C)o2)CC1 1824143214 IQPMEQIIRRVXKO-LEMPSFLLSA-N 438.612 5.379 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3ncccc3c2)CC1 1828030683 JRYAYDUPUSXLLT-AREMUKBSSA-N 445.607 5.237 30 20 IKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)CC1 1828155500 FWWSLNBHBCVPIY-NRFANRHFSA-N 440.584 5.077 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(F)c2F)CC1 1830776263 NBQRDBZBQJWBFL-NFBKMPQASA-N 444.566 5.275 30 20 IKED O=C(/C(=C(\S)Nc1ccccc1F)[n+]1cccc(O)c1)c1ccc(Cl)c(Cl)c1 11169713 IOELCDSCTDNMCJ-UHFFFAOYSA-O 436.315 5.177 30 20 IKED C[C@@H](OC(=O)CCc1ccc(C#N)cc1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 12955699 YMYJIXDVLFQSEV-LLVKDONJSA-N 425.699 5.021 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccccc2CC)[n+]2ccc3c(c2)CCCC3)cc1 14871930 OSVUCURVHRVNFW-UHFFFAOYSA-O 443.636 6.029 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)Nc1ccc(OC)cc1 22731181 XOFCYXZMOGIJPE-UHFFFAOYSA-O 433.597 5.521 30 20 IKED CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccccc3-c3ccccc3C#N)n2)cc1 28715259 KOSRIWSTNBFXMB-UHFFFAOYSA-N 438.512 5.559 30 20 IKED CCN(CC)[C@@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccsc1 32249798 GZESJKAIBIZQHN-NRFANRHFSA-N 435.618 5.584 30 20 IKED CC(C)c1ccc(CSc2nnc(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)s2)cc1 36253097 VOFJDBNAJDYNQI-YCRPNKLZSA-N 448.683 5.489 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 57614177 XSYWFDGQLXKWTP-UHFFFAOYSA-N 425.382 5.205 30 20 IKED C=CCn1c(SCCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1 59776093 JFYGENHSMYOEDN-UHFFFAOYSA-N 433.364 5.559 30 20 IKED C=CCn1c(S[C@H](C)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)nnc1C1CC1 60383985 XDJIQESEKYUBKQ-LLVKDONJSA-N 441.607 5.221 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccc(OC2CCCC2)nc1 71932779 HFTMMLGQXITYEE-UHFFFAOYSA-N 429.545 5.356 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1ccc(Br)cc1 72098933 PBSMQBWEAQWCMY-UHFFFAOYSA-N 434.334 5.237 30 20 IKED CN1/C(=C\C(=O)CSc2nnc(-c3ccccc3Cl)o2)C(C)(C)c2ccccc21 97553768 NDVGENYPBVMFMV-UNOMPAQXSA-N 425.941 5.363 30 20 IKED C=CCn1c(-c2sc(NC(=O)c3cc(Cl)ccc3OC(C)C)nc2C)n[nH]c1=S 111199481 SEGZEGITIRCIMC-UHFFFAOYSA-N 449.989 5.252 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)Cc1csc(-c2ccccn2)n1 216875854 NIELHVLJRRMMIU-UHFFFAOYSA-N 444.947 5.506 30 20 IKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3SC[C@@H](C)C#N)C2)c1 303314747 RXXCKHFRYLXBCU-RBUKOAKNSA-N 436.581 5.129 30 20 IKED N#CC1(CCCN(CC(=O)Nc2ccccc2F)Cc2ccc(Cl)cc2)CCOCC1 410420387 JJFSLUCZYFDPTN-UHFFFAOYSA-N 443.950 5.020 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nc(Cc2ccccc2)no1 429057098 WLRBGCKMXOLNHM-KRWDZBQOSA-N 439.475 5.207 30 20 IKED CC(C)(c1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1)C(F)(F)F 429681988 XJWSGPACWWLFGX-UHFFFAOYSA-N 431.458 5.473 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O 429757133 JLEHKVGXDOHQBY-UWSIMGETSA-N 441.572 5.115 30 20 IKED N#CCSc1cccc(C(=O)N(Cc2cccnc2)c2ccc(Br)cc2)c1 429844543 VUIMKWPLJQYTPW-UHFFFAOYSA-N 438.350 5.307 30 20 IKED O=C(NC[C@@H]1CCC(F)(F)C1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 431105945 CTYAMXCROMCQSP-SNVBAGLBSA-N 441.322 5.075 30 20 IKED CCC(CC)n1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1 431132122 INXDOKSWASAIQC-HNNXBMFYSA-N 433.364 6.165 30 20 IKED COc1cc(Br)ccc1[C@@H](C)NC(=O)N[C@@H](CCCC#N)c1ccccc1 431910634 CERVANBYEJKFJC-BEFAXECRSA-N 430.346 5.253 30 20 IKED Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 438071786 HTMJJIVVELHYTL-RBBKRZOGSA-N 437.609 5.645 30 20 IKED Cn1c([C@@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c2ccccc2)nc2ccccc21 438657077 QHJVNBUDRUSQJH-NRFANRHFSA-N 449.436 5.375 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1ccc(Oc2cccc(F)c2)cc1 439565578 BFPLHZHYFSPXJT-GOSISDBHSA-N 433.483 5.374 30 20 IKED COc1ccc(NC(=O)NCC2CCC(C#N)CC2)cc1OCc1ccc2ccccc2n1 440974356 RVHXDPWPMHNLBT-UHFFFAOYSA-N 444.535 5.274 30 20 IKED Cc1c(COC(C)(C)C)cccc1NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 441834851 FUUMPPLZJAILTL-MRXNPFEDSA-N 439.581 5.139 30 20 IKED N#CCCCn1cc(C(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)c2ccccc21 444037830 OFBLWCKYYYIMDA-VWLOTQADSA-N 436.515 5.055 30 20 IKED Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3cn(CCCC#N)c4ccccc34)cc2)n1 444288602 LSXUHKABIQTTQH-HXUWFJFHSA-N 425.536 5.239 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H]1c1csc(C)n1 460375490 POKFEJBQZWRDTJ-WIYYLYMNSA-N 437.613 5.717 30 20 IKED Cc1cccc2c(CCNC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c[nH]c12 465994878 ODHQGSTZJLAMNF-UHFFFAOYSA-N 438.531 5.486 30 20 IKED CC(C)(C)OC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 469512330 QCLJYNXIGVJQPH-OAQYLSRUSA-N 425.960 5.807 30 20 IKED CSc1cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c(Cl)cc1Cl 469968755 FKIXIEWABVMMJZ-UHFFFAOYSA-N 448.375 5.551 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc(C(F)(F)F)ccc3F)s2)cc1 471086209 QTLABKWRRJSBCN-UHFFFAOYSA-N 438.431 5.112 30 20 IKED COc1cccc(C=C2CCN(C(=O)c3occc3COc3cccc(C#N)c3)CC2)c1 472921671 ARHFNSWOBKZIJD-UHFFFAOYSA-N 428.488 5.058 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@]2(C1)OCc1ccccc12 473654124 LOYROVJPFNBMNH-AREMUKBSSA-N 425.488 5.322 30 20 IKED CCc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cnn1C1CCCC1 475352448 BSUKAFFXCRPMQU-UHFFFAOYSA-N 428.536 5.458 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 475561849 MJJJJMVKKTUKKB-AHWVRZQESA-N 433.596 5.647 30 20 IKED C=CCc1cc(CNC(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)cc(OC)c1OC 475908947 XSSYKURDBWGIKF-SFHVURJKSA-N 431.536 5.055 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 476079840 MDTXMDJUUNMJFU-UHFFFAOYSA-N 441.600 6.731 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1C 476110729 OUIUOBSRKRBRRX-UHFFFAOYSA-N 428.598 5.130 30 20 IKED N#CC[C@H](CC(=O)N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)c1ccccc1 476617300 DFLZCEXDSPKXCY-QAPCUYQASA-N 430.348 5.392 30 20 IKED Cc1sc(NC(=O)c2c(F)cc(C#N)cc2F)nc1-c1ccc(Br)cc1 476920973 LTQBRASHUICVJF-UHFFFAOYSA-N 434.265 5.283 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCOCC(F)(F)C(F)F)cc1Cl 478705097 RRWCSXQZSGSQAO-INIZCTEOSA-N 428.813 5.241 30 20 IKED COc1ccc(-c2cc(C(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)sc2C)cc1 479237089 BPYZHTSZGLCLIE-UHFFFAOYSA-N 445.588 5.020 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N[C@H](CCc2ccccc2)C(F)(F)F)c1 479790281 UVHVQQRCEKIRHT-HXUWFJFHSA-N 428.410 5.024 30 20 IKED C=C(C)[C@H](NCc1noc(Cc2ccc(Br)cc2)n1)c1ccc(F)c(F)c1 481601546 UAYVXCLCTBMADW-FQEVSTJZSA-N 434.284 5.108 30 20 IKED COc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1 483642626 ANPLFODXTRIJSC-FQEVSTJZSA-N 430.508 5.714 30 20 IKED N#CC[C@@H](CC(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1)c1ccccc1 483830094 GYTWSOOUDRLLRM-SFHVURJKSA-N 434.927 6.074 30 20 IKED CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 488092520 FAJIPSHUJMLZRQ-SSEXGKCCSA-N 438.936 5.014 30 20 IKED C[C@H](NC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F)c1nc(C(F)(F)F)cs1 488663694 RCLQYLBKAQFUBT-UPONEAKYSA-N 433.324 5.104 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)C(=O)Nc2ccc(C#N)cc2Cl)cc1 490519802 IFAFFUJVRLLVFX-INIZCTEOSA-N 447.922 5.045 30 20 IKED CCOc1cc2c(cc1NC(=O)c1ccccc1Sc1ccccc1C#N)OCCO2 490528513 QASYHCNAINRWKM-UHFFFAOYSA-N 432.501 5.132 30 20 IKED C=CCOc1ccccc1CN[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 492146312 ZEOFJBBIJVKMBJ-XMMPIXPASA-N 441.980 5.188 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cnn(-c4ccncc4)c3C(F)F)cc2)cc1 495024602 DZRQPBOAZBYMAW-UHFFFAOYSA-N 431.402 5.121 30 20 IKED Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CN(CCC#N)Cc2ccccn2)cc1 495078318 IWXGTZJHZAQTLD-UHFFFAOYSA-N 434.927 5.190 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCCC[C@H]2Cc2ccccc2)cc1 503286276 WFCVUOKKYKVNNN-VWLOTQADSA-N 439.559 5.961 30 20 IKED C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(OCc2ccccc2)CC1 508492107 VTPBEGNQWAMXKM-UHFFFAOYSA-N 439.563 5.173 30 20 IKED C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509855687 RBKMECCCZHRFET-QGZVFWFLSA-N 435.474 5.835 30 20 IKED C=CCOc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(OC)c2)c1 511320554 JEFWDNAFVDHVDX-UHFFFAOYSA-N 448.544 5.243 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F 511694420 BMAUTXRPEFHFCP-IEBWSBKVSA-N 429.536 5.177 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 512958943 QSOQVKZRZZCNSD-MRXNPFEDSA-N 436.949 5.781 30 20 IKED C=CCN(C(=O)c1ccn(Cc2ccccc2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514155277 FMMLXJMIBVGWRB-UHFFFAOYSA-N 444.516 5.401 30 20 IKED COc1cccc([C@H](CNc2ncc(C#N)cc2Cl)c2c[nH]c3ccccc23)c1OC 515066307 PCBIKEGNBMOFDQ-IBGZPJMESA-N 432.911 5.349 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)cc1 517478704 QGUYLEWYHWWVDK-UHFFFAOYSA-N 446.359 6.076 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 517491859 FLROBSOTPWEPTG-MRXNPFEDSA-N 434.323 5.483 30 20 IKED C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 518147814 JVTHVYPXLPNQKM-HZPDHXFCSA-N 438.622 5.580 30 20 IKED Cc1noc(CSc2ccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)cc2)n1 518233986 SGESLOIXYUYCKA-UHFFFAOYSA-N 442.500 5.587 30 20 IKED Cc1[nH]c2ccccc2c1C1=CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 518256380 DCVMBMPCVHXYHC-KRWDZBQOSA-N 430.577 6.192 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCOc3ccccc32)cc1Cl 518721980 CUCOBOLPWBPOND-GCJKJVERSA-N 431.923 5.683 30 20 IKED Cc1nc(NC(=O)[C@@H](Sc2ccccc2Cl)c2ccccc2)sc1SCC#N 519267493 BZYXVUBMOVBWDZ-KRWDZBQOSA-N 446.022 6.193 30 20 IKED CC1CCN(C[C@@H]2CCCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)C2)CC1 521117478 SMJQEIBNXWLXCM-QHCPKHFHSA-N 431.580 5.129 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(OC(C)C)cc1C(F)(F)F 521531096 TYWPEMWJMUYIFW-UHFFFAOYSA-N 436.430 5.171 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3cc4c(cc3Cl)OCCCO4)c2)c1 522305180 YGMWLWOZRPVELG-UHFFFAOYSA-N 434.879 5.204 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3csc(Br)c3)cc2F)c1 524456124 SDLOCXUOCLBCEF-UHFFFAOYSA-N 431.286 5.353 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F 525048205 ZPTNLCDQPJHRKM-ZFWWWQNUSA-N 426.410 5.732 30 20 IKED C=C(C)[C@H](CC(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1)OCC 535881064 YOXZLRRSOUQXCJ-FQEVSTJZSA-N 434.895 5.050 30 20 IKED N#Cc1ccc(CN2CCC(N[C@H](COCc3ccccc3)c3ccccc3)CC2)cc1 537305664 FEAUSAYVYFFLOW-MUUNZHRXSA-N 425.576 5.070 30 20 IKED Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1ccccc1S[C@H](C)CC#N 538655540 MNXWLXUKVPNKBW-GFCCVEGCSA-N 429.517 6.043 30 20 IKED COc1ccc(CNc2ccn(-c3cccc(C(F)(F)F)c3)n2)cc1OCCCC#N 543060150 YKOYQHYVAHUEJY-UHFFFAOYSA-N 430.430 5.194 30 20 IKED C[C@H](CC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccc(C(F)(F)F)cc1 552347397 YEINZAPWXYNORT-OAHLLOKOSA-N 434.433 5.280 30 20 IKED Cc1ccccc1CN1CCC(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 552616158 OSMDTUYOULQUNT-UHFFFAOYSA-N 440.547 5.445 30 20 IKED CC(C)Cn1ncc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1C1CC1 554134170 PQAOHHMNOZPPSZ-UHFFFAOYSA-N 443.551 5.706 30 20 IKED N#Cc1cccc(F)c1CC(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2 564120922 FSNRDGSOFXGFFL-UHFFFAOYSA-N 430.508 5.362 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 564419739 PCMCNCYHFTWHKP-FCEUIQTBSA-N 434.609 5.067 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 571899279 PXSLXLOFNSYCHE-HXUWFJFHSA-N 445.611 5.052 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC(=Cc4cccc(F)c4)CC3)cc2)ccn1 576626483 HJHLGUQQZGVLRV-UHFFFAOYSA-N 428.467 5.596 30 20 IKED Cc1cnccc1N1CCC(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)CC1 583973085 QQGDMOGMUOMAIF-UHFFFAOYSA-N 444.966 5.365 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 592974115 ODGGILRQSILXMU-OAHLLOKOSA-N 425.485 5.420 30 20 IKED Cc1noc(CSc2ccccc2C(=O)Nc2sc3c(c2C#N)CCCCCC3)n1 603996820 XSRLUWSJNWCVMI-UHFFFAOYSA-N 438.578 5.515 30 20 IKED Cc1cccc2c1CC[C@H]2NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609256386 XHFPYCHAQXDBQC-ISKFKSNPSA-N 443.934 5.046 30 20 IKED Cc1nc(CSc2ccccc2C(=O)Nc2ccccc2SC[C@@H](C)C#N)cs1 609376619 GFDWFYBCXLHUFH-HNNXBMFYSA-N 439.631 6.248 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc(C(F)(F)F)cc1 609378304 CCOQHBRRZPZHID-UHFFFAOYSA-N 448.388 5.747 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1csc2nc(-c3ccccc3)cn12 609428583 VDHGTVMCZCDAQT-INIZCTEOSA-N 432.574 5.638 30 20 IKED CC[C@@H](C)NC(=O)c1cccc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 609434236 HSIAMBQHFLTDKD-GOSISDBHSA-N 442.519 5.201 30 20 IKED C[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1ccc(C#N)cc1 609931359 KMTDJCZEARVPII-LLVKDONJSA-N 431.336 5.401 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)n1 614381951 NZEOCIZVKNYNBB-CYBMUJFWSA-N 433.917 5.356 30 20 IKED CCc1c(NC(=O)N[C@H](C)c2cccc(C#N)c2)cnn1-c1cccc(C(F)(F)F)c1 616884292 XOGKZGHSFJOAJD-CQSZACIVSA-N 427.430 5.208 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(C#N)c(Cl)c3)cc2F)c1 619787959 KOIHDLKNHPDNMF-UHFFFAOYSA-N 434.858 5.123 30 20 IKED CC(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 619849572 DDUVHZLKGPEERO-AREMUKBSSA-N 429.568 5.310 30 20 IKED N#Cc1c(F)cccc1N1CCN(C(=O)Nc2cccc(Cl)c2SC(F)F)CC1 726078259 RLMIMGPKLGICHP-UHFFFAOYSA-N 440.878 5.020 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccccc3OC(F)(F)F)n2)cc1 727632789 UGAXRUUMAKJSNH-QGZVFWFLSA-N 446.450 5.526 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)OCC(=O)c3ccc(Cl)cc3Cl)o2)cc1 728109749 COXMRAKWMQHLCN-UHFFFAOYSA-N 430.243 5.077 30 20 IKED C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 729319648 LVAFBCWFBHWEEZ-JTSKRJEESA-N 447.922 5.249 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)CCc2nc(C)c(-c3ccccc3)o2)c1 730181074 OBZGTXLELGYESN-UHFFFAOYSA-N 426.541 5.859 30 20 IKED Cc1cc(Cl)ccc1O[C@@H](C(=O)OCC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 730339276 WNDLQTZJNPIUFW-XMMPIXPASA-N 448.906 5.017 30 20 IKED CCc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 730377539 WLTXLBQMXONIHP-MRXNPFEDSA-N 432.451 5.236 30 20 IKED Cc1cc(Cl)ccc1O[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C)c1ccccc1 730394347 HMCPHCQKYCSSIZ-NTKDMRAZSA-N 429.907 5.532 30 20 IKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(C3CCC3)C2=O)cc1 730459449 JOGJOACNQPEZMK-JOCHJYFZSA-N 449.576 5.019 30 20 IKED Cc1oc(-c2cccs2)nc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 730996697 YPMMEZBIGRKABZ-UHFFFAOYSA-N 437.468 5.988 30 20 IKED Cc1cccc(C2(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)CCCC2)c1 731080106 HUNQAUVVFZYTQB-IBGZPJMESA-N 436.577 5.241 30 20 IKED COc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1OC1CCCC1 731967349 CLBUWKDGLSMLLM-UHFFFAOYSA-N 429.476 5.328 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OC 733652256 ALOMCUZAOHIIHB-GOTSBHOMSA-N 449.595 5.720 30 20 IKED C#CC[C@@H](OC(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C)c1ccccn1 733693452 YUDYCMHMVMHVTD-OAQYLSRUSA-N 428.319 5.041 30 20 IKED COc1cc(COC(=O)Cc2c[nH]c3cc(F)ccc23)ccc1OCc1cccc(C#N)c1 735136487 BCTPEQPNGZIJDZ-UHFFFAOYSA-N 444.462 5.052 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCC(C)(C)NC(=O)OC(C)(C)C)n2)cc1 739161010 WOKRMMFTSQSPHB-QGZVFWFLSA-N 443.569 5.078 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 741916346 XBAJYCYJOCLKKZ-UHFFFAOYSA-N 431.417 5.520 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3cccc(Br)c3)n2)cc1 744034181 CGYHNRKVGXVPCJ-KDOFPFPSSA-N 441.350 5.525 30 20 IKED CCCOc1c(Br)cc(/C=C\C(=O)c2c(C)nn(C(C)C)c2C)cc1OC 746345370 FMTZWQBGWNWRLI-HJWRWDBZSA-N 435.362 5.537 30 20 IKED N#Cc1csc(/C=C2\CC(C#N)(c3ccccc3)C/C(=C\c3cc(C#N)cs3)C2=O)c1 748439154 KPJAFEMFCWZSTG-PQEHHWQQSA-N 437.549 5.844 30 20 IKED N#Cc1ccc(/C=C2/CN(Cc3ccccc3)C/C(=C/c3ccc(C#N)s3)C2=O)s1 748995275 YWIZDTRTDVGKHM-BJPQZVBLSA-N 427.554 5.105 30 20 IKED C[C@H](C[C@@H](O)c1cccs1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 752211811 KVOKGADTIJTITK-VGOFRKELSA-N 435.549 5.027 30 20 IKED C[C@@H](ON=Cc1ccc(N2CCOCC2)cc1)c1ncc(-c2ccc(Cl)cc2Cl)o1 753822328 SYWIEIQJHIFMQF-OAHLLOKOSA-N 446.334 5.597 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NCc2cc(C#N)ccc2Br)cc1 754886762 KXLXHUNSCSKKHR-CQSZACIVSA-N 430.346 5.519 30 20 IKED CC(C)N(C(=O)COC(=O)c1c(F)cc(C#N)cc1F)c1ccc(Nc2ccccc2)cc1 756595314 BCRFHKPIOFWRHF-UHFFFAOYSA-N 449.457 5.178 30 20 IKED C[C@H](N[C@@H](CCC#N)c1ccccc1)c1cc(Br)cc(Br)c1O 756766664 ARKMIJKPJRLRPF-SJCJKPOMSA-N 438.163 5.613 30 20 IKED Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc(F)cc2OCC#N)cc1 760786358 RAKXQRVKNOXOEX-UHFFFAOYSA-N 440.478 5.201 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3ccccc3)nc2C(F)F)cc1 762023556 DQIZYKGRFCJKLO-MRXNPFEDSA-N 425.460 5.271 30 20 IKED Cc1cc(NC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)ccc1-c1ccccc1 762938007 ARQSURVDCBKKDL-UHFFFAOYSA-N 426.520 5.139 30 20 IKED CCc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccc([C@H](C#N)c3ccccc3)cc1)CCC2 764053077 OAQAHXMTBFFLCJ-IRLDBZIGSA-N 430.577 5.902 30 20 IKED C=CC[C@@H](N[C@H](C)c1sc(-c2ccccc2Br)nc1C)c1ccncc1 766020960 RVHOTNQPXHKEFM-AUUYWEPGSA-N 428.399 6.244 30 20 IKED Cc1cc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c(C)n1[C@@H](C)c1ccccc1 768891134 BAPKSFXOAODGJA-HLJPNSHOSA-N 442.563 5.101 30 20 IKED CCN(c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1)C(C)C 770099424 NBHDPXBLDPRZHB-LJQANCHMSA-N 431.508 5.197 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H]2C[C@H](C)c3c(Br)cccc32)ccc1OC 772980844 UPSCZGNXOCZDRV-GMBSWORKSA-N 429.358 5.477 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 777296785 MZWDUHKDJLONFS-IRXDYDNUSA-N 445.972 5.429 30 20 IKED C[C@H]1CN(c2ccc(N[C@@H](C)c3ccc(OCC#N)cc3)cc2C(F)(F)F)C[C@@H](C)O1 777679084 CZZIBXMXIZIFAV-BBWFWOEESA-N 433.474 5.394 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccccc3)nc3ccc(C)cc23)cc1 780310207 VXWLBGROSHNFFT-HSZRJFAPSA-N 435.483 5.180 30 20 IKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)CC(C)(C)Cc1ccc(Cl)cc1 783069421 JOFSZXUAGAYNGL-GOSISDBHSA-N 442.943 5.012 30 20 IKED COc1cc(C)c(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1C 783713619 SDTPLXVFMVZESJ-VURMDHGXSA-N 442.487 5.627 30 20 IKED COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)NCc2ccc(OCC#N)cc2)c1 784267930 RAWILGHNRFFEMG-UIOOFZCWSA-N 441.531 5.038 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 788789477 OAIQODFGZHYQPR-GFCCVEGCSA-N 444.278 5.511 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccsc2)N(CCCC(F)(F)F)C1=O)Nc1ccccc1 790758193 XKEGSJMKFYVAGN-HNNXBMFYSA-N 441.500 5.051 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(Oc3ccc(F)nc3)CC2)cc1 791165758 TVYRKEQTHBJDCN-UHFFFAOYSA-N 447.535 5.068 30 20 IKED COC1CCN(c2ccc(NC(=O)c3cc(C#N)ccc3Cl)cc2C(F)(F)F)CC1 796095881 ZOLCLUBPQCWEAA-UHFFFAOYSA-N 437.849 5.098 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)CCCC(=O)c2ccc(Br)cc2)s1 797569441 QLBCTIMGPZILLL-OAHLLOKOSA-N 433.371 5.433 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 802042988 NKTSXWBAGHROJE-DYVFJYSZSA-N 442.796 5.034 30 20 IKED CCN(CC)C(=O)COc1ccc(NCc2ccc(C#N)cc2C(F)(F)F)cc1Cl 810133312 HOIZOLUAJNIBNE-UHFFFAOYSA-N 439.865 5.090 30 20 IKED COc1ccc(NCc2ccc(C#N)cc2C(F)(F)F)cc1NC(=O)C1CCCCC1 810149969 IBXLNMKOEJRGSM-UHFFFAOYSA-N 431.458 5.717 30 20 IKED N#C[C@@H](C(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1cc(C(F)(F)F)ccn1 813219033 VMQIHUWXMMBHTI-IERDGZPVSA-N 432.348 5.375 30 20 IKED C[C@@H](NC(=O)C=C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 816041967 GIDOTEHPDZCEMG-LJQANCHMSA-N 445.563 5.360 30 20 IKED N#C[C@@H](C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1nc2ccccc2s1 915099367 SEPMXXRCEHIXKH-PZJWPPBQSA-N 425.513 5.034 30 20 IKED C=CCOc1c(Br)cc(/C=C\C(=O)c2cccc(NC(C)=O)c2)cc1OCC 916137902 NNKLIQMBDQEYHN-KTKRTIGZSA-N 444.325 5.267 30 20 IKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)Cc1coc2cc(C)c(C(C)C)cc12 917504929 HOFORDGLORTQNZ-FQEVSTJZSA-N 448.519 5.121 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cs1 917561686 KHHNSRPWNOAMIW-WEVVVXLNSA-N 435.307 6.170 30 20 IKED FC(F)Oc1ccc(-c2nnc(S)n2N=Cc2ccccc2OC2CCCC2)cc1 920368792 QINFWPCXLOSWBQ-UHFFFAOYSA-N 430.480 5.039 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)cc1C 920854794 RHOXBDPWAZYDAP-UHFFFAOYSA-N 433.531 5.317 30 20 IKED Cc1cc2cccc(C(=O)Nc3ccc(C4(NC(=O)[C@@H](S)C(C)C)CCC4)cc3)c2[nH]1 1789015904 LEZBMBCAKBXYEH-QFIPXVFZSA-N 435.593 5.178 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCc3cc(F)ccn3)CCC2)cc1 1789624041 CKNOKMGFSCGHEV-UHFFFAOYSA-N 437.559 5.280 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccccn34)CCC2)cc1 1789626184 DSYAXDVOIBUWMA-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc(F)c(C)cc3F)CC2)C1 1804868521 GMZAJLRVSUDLCK-UHFFFAOYSA-N 432.555 5.110 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccnc1 1811955264 SEZRQTIPYQITFP-LOSJGSFVSA-N 447.623 5.517 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C(C)(C)C)oc2C)n[nH]1 1816464066 CLEKUUHJJZBYDB-QGZVFWFLSA-N 448.514 5.126 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc(C(C)C)cs2)CC1 1825383280 MINMAHAPHGEGKZ-QFIPXVFZSA-N 443.657 5.268 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(C(C)(C)C)c2)CC1 1825439827 VVXSIIQUWZKISB-GOTSBHOMSA-N 439.644 5.314 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3cc(C)[nH]c23)CC1 1828208135 JXMTZWKBNWBUFI-RUZDIDTESA-N 447.623 5.478 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cccs2)CC1 1828825467 WXNQQDHSAZVYFF-ZQHIUPPVSA-N 426.626 5.149 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)CC1 1831373083 MTUQGAIZVLPIHD-ZQAWKMMESA-N 443.031 5.275 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1sc2ccccc2c1Cl 1847530481 DVPNOEBTIYEVHJ-ROUUACIJSA-N 428.985 5.139 30 20 IKED N#CCCn1cc(/C=C/C(=O)N2CCc3sccc3[C@H]2c2cccs2)c2ccccc21 8721329 KVDBIEOUNMXMCL-DRUWVYPFSA-N 443.597 5.865 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(CC)cc2)cc1 10173529 YYJYEOLOOOGRRH-UHFFFAOYSA-O 425.524 5.428 30 20 IKED CCCCc1ccc([C@@H](NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c2cccs2)cc1 10217975 BPVGCJSHAAGNIG-RUZDIDTESA-N 447.604 5.106 30 20 IKED CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1ccccc1 11094740 QJDCDAJEWCLBJB-XMMPIXPASA-N 438.556 5.215 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C)cc2)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 22732732 HLJVJBSLSVNSOC-UHFFFAOYSA-O 438.016 6.166 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)nc2sc(C)c(C)c2c1=O 23405015 ITSBZFGGINZWGK-AWEZNQCLSA-N 448.013 5.342 30 20 IKED Cc1sc2nc(SC[C@H](C#N)CCC#N)n(-c3ccc(Cl)cc3)c(=O)c2c1C 24097739 GZUHSQVLCFGZDT-AWEZNQCLSA-N 428.970 5.253 30 20 IKED CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(C2CC2)nc(SC)c1C#N 26983977 VFEYPIARQSVVDT-LSDHHAIUSA-N 437.565 5.250 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)c1cc2c(C(F)(F)F)cc(O)nc2o1 27862126 HTIUAWSMGVJXFN-UHFFFAOYSA-N 428.391 5.266 30 20 IKED CC(C)NC(=O)Nc1ccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)cc1 32255239 WVYPZAWROQCFEK-UHFFFAOYSA-N 444.560 5.169 30 20 IKED C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 58499415 KPIASQVYQAPXQN-LBPRGKRZSA-N 431.241 5.223 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2 195633863 PZNZVQDBPUSJIO-UHFFFAOYSA-N 427.504 5.703 30 20 IKED COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)O[C@@H](C)C#N)cc1OC 207129011 DDUQOBYGUKGRIF-CQUHBBLWSA-N 428.488 5.198 30 20 IKED N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccccc2SCc2cccs2)CC1 216587100 MSMYPOOPAQJZEU-QFIPXVFZSA-N 433.602 5.063 30 20 IKED COc1cc2c(cc1OC)CN(C(=O)c1ccccc1SCc1ccc(C#N)cc1)CC2 301141581 CMEFMDXAQIDXGR-UHFFFAOYSA-N 444.556 5.066 30 20 IKED CCCN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@H](C)C(=O)Nc1ccccc1 303214645 SRJMCQJZSWIWKJ-LJQANCHMSA-N 427.504 5.230 30 20 IKED CC[C@@H](Sc1ccccc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 303419491 CHXXHLNXXKVCJZ-QGZVFWFLSA-N 426.592 5.211 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCc3nc(-c4ccoc4)no3)cc2Cl)c1 303824539 PWQUAIXZYFKADU-UHFFFAOYSA-N 448.866 5.005 30 20 IKED N#CCCC[C@H](NC(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1)c1ccccc1 431808050 JKMGBXVBJJUHQO-DEOSSOPVSA-N 444.510 5.312 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N[C@H](CCCC#N)c1ccccc1 432643947 JLUHPBJVDRKNBA-HSZRJFAPSA-N 426.520 5.804 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1)c1ccccc1 433136765 MQQPFQJYZJBCMQ-QHCPKHFHSA-N 447.560 5.217 30 20 IKED N#Cc1csc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3OC(F)F)cs2)c1 437573191 ZOXJKPBZPWQTLQ-UHFFFAOYSA-N 443.403 5.198 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(CSc2ccccn2)c1 438138769 WMNNRFOXHAOSGP-PKTZIBPZSA-N 428.561 5.678 30 20 IKED CCCc1c(NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cnn1-c1cccc(C#N)c1 439323743 GEFRPOQXJXMJIV-KRWDZBQOSA-N 444.564 5.592 30 20 IKED N#CCC[C@H](NC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)c1ccccc1 439380718 BOAJJPCFGHTYMZ-IBGZPJMESA-N 440.425 6.059 30 20 IKED CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2cccc(C)c2C#N)c2cccs2)cc1 441553917 ITHACNFKYRCZKD-HJPURHCSSA-N 431.561 5.286 30 20 IKED C=CCC[C@H](NC(=O)N1CCC[C@H](CNC(=O)CCC)C1)c1ccc(C(F)(F)F)cc1 442288647 DOZLJDSVLUTRHF-XLIONFOSSA-N 439.522 5.051 30 20 IKED Cc1c(CNC(=O)CCCC(=O)Nc2ccccc2C#N)sc2ccc(Cl)cc12 442976261 WSQMYVYPQNHKMJ-UHFFFAOYSA-N 425.941 5.160 30 20 IKED COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CSc1ccc(C#N)cc1)CCO2 460267964 NOICDYOBKROMHW-DEOSSOPVSA-N 444.556 5.212 30 20 IKED C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H]1c1csc(C)n1 460381228 BZKVXGZZEIPRQR-GOSISDBHSA-N 444.402 5.390 30 20 IKED N#Cc1cc(N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)nc2ccc([N+](=O)[O-])cc12 462827732 JANRWIQKQAGRDO-IBGZPJMESA-N 447.253 5.038 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)c1cc(C#N)cs1 466916908 XUSHAXWGZHVHPU-JTQLQIEISA-N 432.368 5.305 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1nnc(-c2cc3ccccc3o2)s1 470530225 QSDGKCVGGQTXIB-ZWKOTPCHSA-N 429.505 5.255 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCC[C@H](c4ccc(F)cc4)CC3)ccc21 470543116 LFHSBYBGXQJVSR-IBGZPJMESA-N 448.542 5.210 30 20 IKED N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 470732393 JBYZXTZALQGGOF-INIZCTEOSA-N 441.343 5.233 30 20 IKED COc1cccc2c1CC[C@H]2NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 470791789 IXVLIDLRDUAIDW-XMMPIXPASA-N 427.504 5.149 30 20 IKED C=C(C)[C@@H](NC(=O)N(C)CCCc1cc(-c2ccccc2)no1)c1ccc(F)c(F)c1 477738523 DHTSVROYPXCPIX-HSZRJFAPSA-N 425.479 5.511 30 20 IKED CCCN(C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)[C@@H](C)c1cc2ccccc2o1 481002432 CACFYQFHYBJGBI-SJORKVTESA-N 439.537 5.124 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCc2cc(Br)ccc2C1 484146027 YHJMEYGSFHYIAK-AWEZNQCLSA-N 430.371 5.434 30 20 IKED COc1ccc(SCCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 488015040 PPBNZUMIIMNTDD-UHFFFAOYSA-N 434.536 5.417 30 20 IKED O=C(N[C@H]1CCCC(F)(F)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 489022291 WWQOKBIIVKONLP-CJTLSQLKSA-N 447.410 5.803 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H]2SCCc3ccccc32)cc1 489923981 LWTCNQPEFCALRL-VWLOTQADSA-N 443.572 5.484 30 20 IKED C[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1noc(-c2ccc(Cl)cc2)n1 489957214 NRJRWFPZXVZVRS-HNNXBMFYSA-N 428.879 5.420 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H](CN3CCCCCC3)C2)cc1 491648853 RTHCNFHKVZYANZ-OAQYLSRUSA-N 432.568 5.470 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 494529195 HEOZEQSDCCAEKQ-KRWDZBQOSA-N 448.906 5.672 30 20 IKED N#CC1(F)CCN(C(=O)N[C@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)CC1 495277059 JEAAJRZSAZYESI-LJQANCHMSA-N 438.305 5.454 30 20 IKED C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C1 500372779 WQJYYDZBSJTMBH-OJWCNPDFSA-N 438.955 5.406 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)Cc1csc2nc(-c3ccccc3)cn12 501019469 PXEBIOCLSAKQQW-UHFFFAOYSA-N 438.512 5.303 30 20 IKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 501119461 XTBWOKUUXKWHGS-UHFFFAOYSA-N 449.514 5.253 30 20 IKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2ccccc2-c2cccs2)CC1 501161255 NGZZMHBDDSWOEQ-UHFFFAOYSA-N 439.544 5.189 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)c2)cc1 501425164 OJZYUIUDIUUBBO-AREMUKBSSA-N 442.515 5.142 30 20 IKED N#C[C@@H](NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1)c1ccccc1Cl 505641032 YJYRKEVVNRUBAL-LJQANCHMSA-N 434.908 5.016 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(CN2CCCCC2)cc1 508390053 PNKYXYHMKBXUFE-UHFFFAOYSA-N 426.520 5.292 30 20 IKED C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(OC2CCCC2)CC1 508487949 HUAVBWXDYLXHTR-UHFFFAOYSA-N 448.567 5.231 30 20 IKED C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@H](COCc2ccccc2)C1 508840513 LMRXMHCYEIMJQU-JOCHJYFZSA-N 439.563 5.031 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nc2ccccc2[nH]1 510022507 DIWHYYGOHRZJLY-DNVCBOLYSA-N 429.911 5.754 30 20 IKED N#Cc1cc(NC(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)ccc1F 510870316 SVCACKFGGKLHEY-INIZCTEOSA-N 425.508 5.005 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 510985299 RDFGRQWNHQEOAM-OAQYLSRUSA-N 446.576 5.480 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1SCc1cc(-c2ccc(Cl)cc2)no1 514911696 MDACBDVZHIZIRP-UHFFFAOYSA-N 444.004 5.093 30 20 IKED COc1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)ccc1OC(C)C 515577702 IODXRZCBVYCIPT-UHFFFAOYSA-N 430.504 5.380 30 20 IKED N#CCCCOc1cccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c1 515614254 CMQUJSXEIIIHEC-UHFFFAOYSA-N 441.940 5.239 30 20 IKED CC(C)(C(=O)Nc1ccc(C#N)c(C#N)c1)c1csc(-c2c(Cl)cccc2Cl)n1 515819644 VEUCDGOVHJIOHF-UHFFFAOYSA-N 441.343 5.777 30 20 IKED Cc1nc(CSc2ccc(C(=O)Nc3ccccc3SCCC#N)cc2)cs1 518649036 JYRDHZRQFDFCKE-UHFFFAOYSA-N 425.604 6.002 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccccc2NC(=O)N2CCCC2)cc1 520717570 DBYRYDIWLRBGJH-UHFFFAOYSA-N 444.466 5.370 30 20 IKED N#C[C@H](NC(=O)CCCOc1ccccc1Br)c1cccc(C(F)(F)F)c1 521016228 SNVHYJOBYHPUGA-INIZCTEOSA-N 441.247 5.008 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)cc2)cc1 521356811 VQGIKWRTMCVXMT-OAQYLSRUSA-N 449.919 5.446 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1CS(=O)(=O)c1ccccc1 521764744 DICXXLCZTFZRFS-UHFFFAOYSA-N 445.993 5.204 30 20 IKED C[C@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nc(-c2ccncc2)cs1 522414335 HRNGPCBHLMPMRQ-KRWDZBQOSA-N 440.528 5.147 30 20 IKED O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 522712689 AWGIYDJTWWYGAE-UHFFFAOYSA-N 426.360 5.435 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c1C 523535535 XDDHTLIYROBMIJ-ZWKOTPCHSA-N 425.319 5.410 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(COc4ccc(C#N)cc4)o3)n2)cc1 524430690 BZHXKLNJANHEFR-OAQYLSRUSA-N 439.496 5.652 30 20 IKED COc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)ccc1OC(C)C 524497149 FQNVQAFLGYINNB-UHFFFAOYSA-N 434.467 5.324 30 20 IKED Cc1ccc([C@H]2CCCCN2C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 525541524 WOKSWNQGHBMSCQ-JOCHJYFZSA-N 444.535 5.085 30 20 IKED C[C@@H](C#N)CN(C(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1)C1CC1 532819675 NGEFOYSVBKWXRE-ZDUSSCGKSA-N 431.323 5.402 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(-c4ccncc4)nc4ccccc34)n2)cc1 535406650 DCFJXRODMQBJCK-JOCHJYFZSA-N 446.535 6.219 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)o1 538559417 GBTXLFBRXICTGJ-UHFFFAOYSA-N 436.427 5.186 30 20 IKED N#CCCn1cc(CNc2cc(Cl)ccc2OC[C@H]2CCCO2)c(-c2ccccc2)n1 539933098 CAHNJIDUMLGNKF-OAQYLSRUSA-N 436.943 5.287 30 20 IKED COc1ccc(-c2cnc(CCC(=O)NCc3ccc(-c4ccccc4C#N)cc3)o2)cc1 540199171 FDGHESPBFQIDOG-UHFFFAOYSA-N 437.499 5.138 30 20 IKED CCc1ccc([C@@H](N[C@H](C)c2ccc(C#N)c(F)c2)c2cccc(S(C)(=O)=O)c2)cc1 540710992 YZHKBWYRJZVGSU-CRICUBBOSA-N 436.552 5.103 30 20 IKED C=CCSCCNC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 540974002 VOQRNZOWERUWBJ-UHFFFAOYSA-N 441.450 5.138 30 20 IKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 541072740 XJCJAXPHCSDDND-MSOLQXFVSA-N 443.572 5.542 30 20 IKED C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N(C)Cc1csc([C@@H](C)OCC)n1 549273766 HNWHLRZVITWHIV-MRXNPFEDSA-N 437.569 5.458 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)c2)cc1 552343254 AZNMBGAEGRRTPE-UHFFFAOYSA-N 441.462 5.045 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(OCCc4ccccc4)CC3)cc2)c1 561406891 AKGZMNAIIGJYGT-UHFFFAOYSA-N 441.531 5.606 30 20 IKED CC(C)(C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1csc(-c2cc(F)ccc2F)n1 564692099 UFZWENSCNMUCRX-UHFFFAOYSA-N 449.526 5.553 30 20 IKED C=CCn1c(-c2cccc(OC)c2OC)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 576151008 RXKYAGQAVZDBFD-GOSISDBHSA-N 447.564 5.100 30 20 IKED Cc1nc([C@@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccc(Cl)cc2)no1 579991896 JPDIGVIQSSGWOJ-YJYMSZOUSA-N 441.944 5.337 30 20 IKED N#Cc1ccc(C2(C(=O)N[C@@H]3CCCc4c3[nH]c3ccc(Br)cc43)CC2)cc1 583530183 PAVRPFNWRBDELP-HXUWFJFHSA-N 434.337 5.027 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3ccc(Cl)c(C#N)c3)c2)cc1 589296474 SBJCICMZWDTNOH-UHFFFAOYSA-N 432.907 5.565 30 20 IKED Cc1ccccc1-c1nc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cs1 589830016 CWCWJERPSNQBHR-AWEZNQCLSA-N 443.475 6.237 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCc2cnn(-c3ccccc3)c2)cc1 594744202 WTCPJYOLTXBTOL-UHFFFAOYSA-N 438.556 5.009 30 20 IKED C=CCOc1cccc(NC(=O)N(CCCn2ccnc2)Cc2c(F)cccc2Cl)c1 601139196 YTGMUKRZAACNTJ-UHFFFAOYSA-N 442.922 5.365 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CC[C@@H]1Cc2ccccc2NC1=O 603532804 UZHQIVVZNPCPAU-JOCHJYFZSA-N 441.506 5.130 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(F)cc3C(F)(F)F)cn2)cc1 603689830 QMVQOMSHYZHCIJ-UHFFFAOYSA-N 430.361 5.225 30 20 IKED Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccccn3)n2-c2ccc(C)cc2C)cc1 603918497 ZPWHWJJZUVFYGS-NRFANRHFSA-N 425.561 5.482 30 20 IKED C[C@@H](c1ccc(F)cc1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604166531 CRXKVJHGPTXMFZ-AOMKIAJQSA-N 449.913 5.293 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 604317355 LBTSDEILAHUAPZ-STQMWFEESA-N 437.384 5.376 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)NCCc3c[nH]c4cc(Cl)ccc34)s2)cc1 604487203 AAEJUUHJDOTIGU-UHFFFAOYSA-N 435.940 5.104 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)ccc21 604690902 NJYYZKSNEQJNAY-CYBMUJFWSA-N 428.439 5.736 30 20 IKED CC(C)(CNC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(F)c1 605328670 BEBPXVBZCQCLEK-CHWSQXEVSA-N 428.392 5.312 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H](C)Cc2ccc(Cl)cc2)cc1 605914174 AWMLEELIMVXUFW-GOSISDBHSA-N 425.960 5.249 30 20 IKED Cc1ccccc1N(C(=O)CCCCOc1cccc(C#N)c1)c1nc2ccccc2s1 609496353 NFIMIALCIVEIIW-UHFFFAOYSA-N 441.556 6.390 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc(Cl)c3-n3cncn3)cc2)cc1 609499488 HCFURJAFRQGEHY-UHFFFAOYSA-N 429.867 5.031 30 20 IKED CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1 609696763 MVSJWMMQPMRIHJ-YTTGMZPUSA-N 446.572 5.437 30 20 IKED COC(=O)CCc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 609724181 YMOPDNPTRWYTSX-UHFFFAOYSA-N 434.879 5.362 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(C(F)(F)F)(C(F)(F)F)C3)cn2)c1 609780915 UZZWCPDBFLSCSB-UHFFFAOYSA-N 444.335 5.094 30 20 IKED CCN(CC)[C@H](CNC(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 610401233 MCTLBWVEZZTZDS-HRAATJIYSA-N 432.490 5.020 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(C(=O)Nc4ccccc4)cc3)cn2)cc1 611146195 QZAIUMBNQIQSSN-UHFFFAOYSA-N 434.455 5.250 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(c2cccnc2)CC1 611261388 ACKUDPBPEGULEJ-UHFFFAOYSA-N 426.520 5.252 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c(Cl)c1 612532697 DPXMGLISDVDQTD-AWEZNQCLSA-N 428.344 5.846 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C(C)C)nc4c3cnn4C(C)C)n2)cc1 613315647 WMCFEFMEDZELIA-LJQANCHMSA-N 443.576 6.058 30 20 IKED Cc1nc(-c2ccccc2)[nH]c1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613405269 WGIJFYJHANNBBZ-AWEZNQCLSA-N 426.423 5.504 30 20 IKED O=C(C[C@H](c1ccccc1)C(F)(F)F)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 622545384 LYWHZWLRQZMXPF-QGZVFWFLSA-N 433.367 5.729 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCO[C@@H](c2ccco2)C1 670215854 HYCKXRCAFRLZFS-NTKDMRAZSA-N 444.535 5.318 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2ccc(F)cc2F)CCC1 679003868 YLTOHMQHIQGJET-PJXYFTJBSA-N 429.351 5.412 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1 726940834 VKEZUCWXLWCWTF-UHFFFAOYSA-N 425.410 5.762 30 20 IKED CCN(C[C@@H](C)C#N)Cn1nc(COc2c(C)cccc2C)n(-c2ccccc2)c1=S 726962199 SKXJWWKNENXZIU-SFHVURJKSA-N 435.597 5.038 30 20 IKED CCCCCCOCc1cccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 729563150 DMGYOKCSQGBVLO-UHFFFAOYSA-N 435.568 5.730 30 20 IKED COC(=O)c1occc1/C=C\C(=O)c1sc(-c2ccccc2Br)nc1C 730148349 FDUCYBLAXPQQRQ-FPLPWBNLSA-N 432.295 5.157 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2nc(C)c(-c3ccccc3)o2)cc1 730396111 NHHJVENAKYYULB-JTSKRJEESA-N 429.520 5.444 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)COc2ccccc2OCc2ccccc2)cc1 730746065 ZVBIKROQPWJXRD-AREMUKBSSA-N 448.522 5.939 30 20 IKED Cc1nc(-c2ccc3ccccc3c2)n(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)n1 731028994 MCTOOWXREJEIQP-KRWDZBQOSA-N 441.560 5.440 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 731061459 BBLQACLUEHPVEV-INIZCTEOSA-N 447.560 5.236 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cccc(N2CCOC2=O)c1 731400255 MKAXPIDUXBNCLB-KRWDZBQOSA-N 442.475 5.190 30 20 IKED O=C(O)COc1cccc(/C=C2\CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)c1 733207237 WQZZERDXJWCJHY-XNTDXEJSSA-N 425.893 5.139 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)CSc2ccc(C(C)(C)C)cc2)ccc1OC 733231893 KJNYYFQHYRWPTO-IBGZPJMESA-N 426.582 5.082 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2nc(C)c(-c3ccccc3)s2)ccc1OC 733336306 OUAAIXWRJFOWAD-GOSISDBHSA-N 436.537 5.130 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ncc(Cc3ccccc3Cl)s2)c1 733799362 HNXVGZUGMJFHOP-QGZVFWFLSA-N 440.956 5.390 30 20 IKED Cc1ncc2c(n1)CCC[C@H]2NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 734934158 YTSDBTQSNUNHKL-JOCHJYFZSA-N 447.926 5.088 30 20 IKED Cc1cc(NC(=O)CSCc2cc(Cl)ccc2OCC#N)ccc1Br 735320258 ONYVNPOFXMZHBT-UHFFFAOYSA-N 439.762 5.185 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\COc3ccc(C)c(C)c3C2=O)cs1 737445359 YPYZWNPAINEBAF-MHWRWJLKSA-N 438.936 5.757 30 20 IKED Cc1cc(Oc2ncccn2)ccc1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740443796 PXEMDEOGHNNARJ-UHFFFAOYSA-N 441.516 5.499 30 20 IKED C#CCOc1ccc(C(=O)N(Cc2ccccc2)[C@@H](C)c2cccc(NC(C)=O)c2)cc1 741528398 YEXPWZXHQKWTMC-FQEVSTJZSA-N 426.516 5.061 30 20 IKED CSc1cccc([C@@H](NC(=S)Nc2ccccc2C#N)c2ccc(F)c(F)c2)c1 743016057 RTNCAZBWPGHZBW-OAQYLSRUSA-N 425.529 5.634 30 20 IKED C=CC[C@H](NC(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1)c1ccncc1 745826367 UVNBCGSAODVUQO-NRFANRHFSA-N 434.367 5.506 30 20 IKED C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 746137855 RRDYPJUKLRYBHY-BBRMVZONSA-N 425.319 5.223 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 746168430 WSDFLOMLBIFRAM-FXAWDEMLSA-N 439.581 5.533 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 748993757 FBKNYFAACAMRMU-UHFFFAOYSA-N 428.561 5.403 30 20 IKED N#Cc1ccc(C(=O)OCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)s1 750401197 XEDVLNJHRWFXIC-UHFFFAOYSA-N 426.906 5.259 30 20 IKED Cc1sc2ncn(N=Cc3ccc(F)c(C(F)(F)F)c3)c(=O)c2c1-c1ccccc1 755534148 UKTIUMNGZSMPFA-UHFFFAOYSA-N 431.414 5.474 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NOCc2ccc(F)cc2)cs1 758143137 FDTHCUXQOQSQQR-UHFFFAOYSA-N 437.418 5.536 30 20 IKED COC(=O)C12CCC(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)(CC1)C2 759438683 VBYJMEYOYQNVMA-OZJRSANCSA-N 449.359 5.417 30 20 IKED Cc1sc(Br)nc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 764407725 ZECYLCSRLIEFKU-UHFFFAOYSA-N 442.338 5.111 30 20 IKED CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)ccn1 766154186 CFKMOSGIUXRXQT-UHFFFAOYSA-N 444.491 5.023 30 20 IKED C=CCn1c(C2CC2)nn(CN2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)c1=S 769782478 YSUGMPASILALHE-QGZVFWFLSA-N 440.560 5.244 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O 769788620 HRYMFDYZUKEPPH-AWEZNQCLSA-N 427.526 5.386 30 20 IKED Cc1ccc(C(=O)OCCC(C)(C)C#N)cc1NC(=O)c1ccc(Br)cc1 776375031 YRLJSTBQAYZUGV-UHFFFAOYSA-N 429.314 5.107 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 777941187 CRSXDTOKUGUSEV-BTYIYWSLSA-N 440.469 5.460 30 20 IKED C=CCC[C@@H](C(=O)OCc1nnc(-c2c(-c3ccccc3)noc2C)o1)c1ccccc1 778550121 BFPJNALVMXBXIE-HXUWFJFHSA-N 429.476 5.493 30 20 IKED CC(C)n1ncc2cc(CNc3ccc(OCc4cccc(C#N)c4)cc3)c(Cl)nc21 779594383 IURMEPZMTFLGNH-UHFFFAOYSA-N 431.927 5.728 30 20 IKED COc1ccc(CC[C@@H]2CCCCN2C(=O)Nc2ccccc2O[C@H](C)C#N)cc1OC 780671263 VVCZNFFKONHROY-QUCCMNQESA-N 437.540 5.014 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccsc2)N(CCc2cccs2)C1=O)Nc1ccccc1 790743344 UUWHWUSRTRLYPH-SFHVURJKSA-N 441.603 5.013 30 20 IKED CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1ccc(OCC#N)cc1 797720450 IASKZRMEWYQGEU-UHFFFAOYSA-N 444.318 5.604 30 20 IKED N#Cc1ccc(NNC(=S)Nc2ccc(OC(F)F)c(Cl)c2)c(C(F)(F)F)c1 799508570 CQURKXQISXRCQP-UHFFFAOYSA-N 436.793 5.145 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 799630071 QYHYIWNOVNKKCV-MSYCTHLASA-N 448.592 5.197 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)c(SC(=O)N(C)C)c1 805439514 CSZQNCUELJSMKN-LJQANCHMSA-N 431.945 5.027 30 20 IKED C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1cccc(Br)c1 813064287 LUPLPBBPJBQSBS-ACJLOTCBSA-N 436.334 5.424 30 20 IKED Cc1csc(SCc2ccccc2C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)n1 813215352 XIHCAMKUCWHIAQ-INIZCTEOSA-N 433.480 5.648 30 20 IKED N#CCCC[C@@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccccc1 815788916 QKCIFVMHNULDQN-HSZRJFAPSA-N 425.492 5.592 30 20 IKED N#Cc1ccccc1-c1ccc(COC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 818108983 JHUZSPISDVHVMQ-UHFFFAOYSA-N 437.499 5.326 30 20 IKED Cn1c(CSc2nc3ccccc3s2)nnc1SCc1ccc(C#N)cc1F 911648385 GNBRHFRGFVBBIW-UHFFFAOYSA-N 427.555 5.020 30 20 IKED Cc1nc2sc3c(c2c(=O)n1N=Cc1cc(Cl)ccc1OC(F)F)CCCCC3 915943906 NBJLDMWTIWOTJO-UHFFFAOYSA-N 437.899 5.172 30 20 IKED CCCCc1nnc(S)n1N=Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 916302353 OCDCQJVJWXLMRR-UHFFFAOYSA-N 448.379 5.351 30 20 IKED CCOc1cc(C=Nn2c(S)nnc2-c2ccccc2)ccc1OCc1ccccc1 916307820 SBXVKUKNWLNMAT-UHFFFAOYSA-N 430.533 5.094 30 20 IKED CCCC(=O)Nc1ccc(O)c(C(C)=NNc2nc(C)nc3sc4c(c23)CCCC4)c1 916312458 YDXMBDHYSIKIAY-UHFFFAOYSA-N 437.569 5.159 30 20 IKED N#C[C@@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)C(=O)Nc1ccccc1 916899406 BCEQJTRECMOGGM-QFIPXVFZSA-N 443.453 5.393 30 20 IKED CCOC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916977518 UKJWJIJYFMWNCB-KRWDZBQOSA-N 425.897 5.522 30 20 IKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1sccc1-c1ccc(C)cc1 917506192 VBHQXDRHRTWJSW-SFHVURJKSA-N 434.517 5.051 30 20 IKED CCCOc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1 917560099 QTBRKMPYDFUJFG-JYRVWZFOSA-N 440.952 6.166 30 20 IKED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 918407231 JRBQULHCDKDALR-FDDCHVKYSA-N 437.499 5.246 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CC[C@H]3CNc4ccccc4C3)cc2)CCC1 1788067713 NWOCJRUCTWRNHU-NHCUHLMSSA-N 445.607 5.397 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnc(Cl)s3)CCC2)cc1 1789455828 FJXAXDHCOZOIFQ-QGZVFWFLSA-N 429.973 5.313 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)Cc3ccncc3)cc2)CCC1 1791039446 MPZWQCGWCPPMTB-HYBUGGRVSA-N 431.580 5.163 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(OC)ccc4o3)CCC2)cc1 1791728837 AZUADBAYRBJCRC-UHFFFAOYSA-N 444.531 5.383 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccc(C)cc1)C2 1792571762 IMONWAFWVXIJAH-NUNAXRQHSA-N 445.607 5.301 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(F)ccc2s1 1798088048 NGYUOMDIDFMKSF-YRPNKDGESA-N 426.557 5.061 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OC(C)(C)C)cc1)C2 1798591700 BAGDBOXMUVPIKL-WKCHPHFGSA-N 426.601 5.108 30 20 IKED C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CCC(c3ccc(Cl)cc3)CC1)C2 1802304427 CATFAPABRJEWIM-LGJLXVPLSA-N 441.015 5.056 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3occc3c2)[C@H]1c1cccnc1 1810500740 VBJNCDVCJYAXBP-VWNXMTODSA-N 445.563 5.140 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C3CC3)cc2)[C@H]1c1cccnc1 1810503601 RQLFMOQMQNRUKO-RPBOFIJWSA-N 445.607 5.271 30 20 IKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCc2ccc(C(F)(F)F)cc2)[nH]n1 1822396093 LRSPKQAPRIDSOT-LJQANCHMSA-N 448.489 5.020 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc3ccccc23)CC1 1823752024 IMSVYKANCLQVSM-VWLOTQADSA-N 447.623 5.461 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)CC1 1828356442 HEPCSUMOWSNCEK-FSMAOSCWSA-N 434.580 5.278 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)cccc2Cl)CC1 1828827854 XOSORJQDYYNQJV-SIKLNZKXSA-N 446.994 5.481 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)ccc2C)CC1 1829068608 HJHMNXAZVHULNV-DEOSSOPVSA-N 440.628 5.229 30 20 IKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC2CCC(C)(C)CC2)CC1 1830417106 QXDRZBNTUDUPIG-OFNKIYASSA-N 447.664 5.014 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2cc(C)c(C)cc2C)[n+]2ccc(CC)cc2)cc1 10173495 XJRCTSZRAUIPKC-UHFFFAOYSA-O 431.625 6.075 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)NCCc2ccccc2)[n+]2ccc(C(C)(C)C)cc2)cc1C 22735200 VEDGUZNRBIZTID-UHFFFAOYSA-O 445.652 5.660 30 20 IKED C=CCn1c(SCc2cc(-c3ccc(C)cc3)no2)nnc1[C@@H]1COc2ccccc2O1 32324857 RCMSDIUMTPHDFR-QFIPXVFZSA-N 446.532 5.232 30 20 IKED CC(=O)N[C@@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(C)cc1 46861616 NSCHOCNNKDJLHE-NOZRDPDXSA-N 445.950 5.510 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)COC(c3ccccc3)c3ccccc3)n2)cc1 58987895 YEHANAUTSIACBA-UHFFFAOYSA-N 425.513 5.426 30 20 IKED CCN(Cc1cccs1)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 60675786 BYIBQUVZIYCYIY-UHFFFAOYSA-N 435.574 5.013 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(C)cc2Cl)nnc1-c1ccc(Cl)cc1 68854902 QZXGVBLOVIXSHI-UHFFFAOYSA-N 433.364 5.477 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N(C1CC1)[C@H](C)c1cccc(C(F)(F)F)c1 106065325 PUQVVVKYGXMWJI-MRXNPFEDSA-N 432.490 5.117 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSc1ccc2ccccc2c1 106116335 PZFMPOMQONBVKI-UHFFFAOYSA-N 425.513 5.938 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC[C@H]1c1nc2ccccc2s1 195632823 KLMNUUCQMRXZFD-SFHVURJKSA-N 429.467 5.213 30 20 IKED C=CCOc1c(Br)cc(CNCc2ccccc2OC(F)(F)F)cc1OC 302892077 BJKLJTUTSKNNIJ-UHFFFAOYSA-N 446.263 5.211 30 20 IKED Cc1ccc(C)c(OCCCCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1 303066471 YVJZONAJPKTNEI-UHFFFAOYSA-N 429.520 5.859 30 20 IKED COc1ccc(-c2nnc(S[C@@H](C)c3ccc(C#N)cc3)n2C2CCCCC2)cc1OC 303667159 FMZMGXXMUQOZKL-KRWDZBQOSA-N 448.592 6.192 30 20 IKED C=CCN(C(=O)CSc1cccc2cccc(Cl)c12)c1nc(C(=O)OCC)cs1 409834569 WRGZQQVZLZWQMY-UHFFFAOYSA-N 446.981 5.438 30 20 IKED C[C@@H](NC(=O)N[C@H](C)c1nc(C(F)(F)F)cs1)c1ccc(-c2cccc(C#N)c2)cc1 426212456 YYYSSSCLHNSQBJ-ZIAGYGMSSA-N 444.482 5.822 30 20 IKED C[C@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)[C@@H](C)c1ccccc1C(F)(F)F 428800398 CSEJBOOCDMMZIU-SJORKVTESA-N 440.469 5.405 30 20 IKED CN(C)C(=O)Nc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c(Cl)c1 435068296 UPBBVCNAITWZHA-UHFFFAOYSA-N 448.910 5.136 30 20 IKED C[C@@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC[C@@H]1c1ccccc1 437730076 BPANCYQMIWOUIG-ZBLYBZFDSA-N 439.559 5.989 30 20 IKED COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 437912081 QFNZJJWZLBIRFG-NRFANRHFSA-N 441.575 6.162 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C1CC1)[C@H](C)c1ccc2ccccc2c1 438079255 XGUHLFWNGDKYHB-RBUKOAKNSA-N 429.589 6.849 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 438920884 UYYSTUGKZJIZOV-RTBURBONSA-N 432.511 5.949 30 20 IKED COc1ccc(C[C@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)c2ccc(OC)cc2)cc1 440208868 AUAAOKOIYJKPNY-UIOOFZCWSA-N 443.547 5.332 30 20 IKED CCSc1cccc(NC(=O)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 440366173 KCVVGLRLDSGLOF-UHFFFAOYSA-N 445.544 5.021 30 20 IKED CC(C)(C#N)c1ccc(NS(=O)(=O)c2ccc(OCC(F)F)c3ccccc23)cc1 460412952 QQWUIBRPNUQVLA-UHFFFAOYSA-N 430.476 5.086 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 462256202 LHMPQBOIZDPEET-SQJMNOBHSA-N 427.504 5.701 30 20 IKED CCOc1ccc(OCC)c(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1 465453295 JIFAFZRHNKPLBD-UHFFFAOYSA-N 432.524 5.130 30 20 IKED C=CCCCCCN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 466272438 LSFDLTOUAHBTLT-QFIPXVFZSA-N 449.016 5.221 30 20 IKED N#Cc1ccc(CN(C(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)C2CC2)cc1 468453054 WODRVOXPMUWJMY-OAQYLSRUSA-N 442.588 5.161 30 20 IKED Cc1ccc(NC(=O)c2ccccc2)cc1NCC(=O)N(CCC#N)c1cccc(Cl)c1 470540525 WTBUCDSGWQGUMX-UHFFFAOYSA-N 446.938 5.260 30 20 IKED C=CCNC(=O)Nc1ccc(N[C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)cc1 471632079 AUYHNPUCFPNGAU-LBPRGKRZSA-N 432.311 5.524 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NC3CCN(C4CCCCC4)CC3)c2)cc1 473641052 NBLJZZRXQXFQNV-UHFFFAOYSA-N 446.595 5.250 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C(=O)Nc1cccc2c1CN(c1nccs1)C2 475181228 GXZDMSAGTATDGG-UHFFFAOYSA-N 446.576 5.092 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 475431504 NWDCAFRHZCKRNC-UHFFFAOYSA-N 432.867 5.021 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC1CCN(C(=O)c2ccc(OCC)cc2)CC1 475556583 RLOJLJLJODHFNN-UHFFFAOYSA-N 449.595 5.364 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 476520499 ZYUKECYFIGFJBR-UHFFFAOYSA-N 431.492 5.114 30 20 IKED Cc1nc(CSc2ccccc2C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cs1 477550187 CQRYCGZNXJRFBK-UHFFFAOYSA-N 446.519 5.544 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCCOc1ccc(Cl)c(F)c1 479574502 AUSZLFODCNDTRS-CQSZACIVSA-N 438.977 5.624 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1 480538858 JKKJZKCQBHCYKB-LIRRHRJNSA-N 433.936 5.336 30 20 IKED O=C(NCC(F)(F)C(F)F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 482132122 ZGMJEMKHUSPRBO-HOOKXIFASA-N 443.325 5.125 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1cnc2ccccc2n1 483247132 WBVCAZRKYDRZKF-ZDUSSCGKSA-N 425.300 5.550 30 20 IKED C=C(C)[C@H](NC(=O)N(C)[C@H](c1ccc(Cl)cc1)c1cnccn1)c1ccc(F)c(F)c1 483305972 TUCOGSXECCIJQY-FCHUYYIVSA-N 442.897 5.456 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)CSc2ccc(C#N)cc2)cc1 483381834 RSUSBKOVRMLMNR-UHFFFAOYSA-N 435.936 5.219 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cnnn1-c1c(Cl)cccc1Cl 483479557 VGTLFNQEPSSFCF-GFCCVEGCSA-N 432.336 5.078 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 487127341 MUVMZAYNRDSUEX-SFHVURJKSA-N 447.560 5.135 30 20 IKED Cn1c(=O)ccc2ccc(NC(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)cc21 487162385 VBOARRMBNJFFAM-UHFFFAOYSA-N 429.863 5.108 30 20 IKED N#C[C@H](C(=O)c1ccc(Br)c(C(F)(F)F)c1)c1nc2ccccc2s1 492259952 QVVCEQASOZGHGE-SNVBAGLBSA-N 425.229 5.568 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](CC(C)C)c1cc(Cl)ccc1OC 497737932 ZLGLYUWGKUIBLV-OAQYLSRUSA-N 434.964 5.309 30 20 IKED C[C@H](Oc1ccc(F)cc1Br)C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 498471851 QWWLWVOSBHVVLQ-VFZGTOFNSA-N 446.103 5.043 30 20 IKED Cc1cc(-c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)c3c(C)noc3n2)c(C)s1 498704849 ZAOCFADUKDNDIW-MRXNPFEDSA-N 428.473 5.508 30 20 IKED Cc1nnc(SCc2c(C(=O)N(C)Cc3ccc(C#N)cc3)oc3ccccc23)s1 499274696 WYJYDJSLQGTYTO-UHFFFAOYSA-N 434.546 5.029 30 20 IKED COc1ccc(CNc2cc(C(F)(F)F)ccc2N2CCCC2)cc1OCCCC#N 501002427 VCFVIYRNUVDBGJ-UHFFFAOYSA-N 433.474 5.609 30 20 IKED COc1ccccc1Oc1ccc(NC(=O)Nc2cccc(OCCCC#N)c2)cc1F 502616190 MUJBGIPTICRCSU-UHFFFAOYSA-N 435.455 5.953 30 20 IKED CCCOc1cn(-c2ccccc2)nc1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 503556085 NTRGBBCXQLCOGC-IBGZPJMESA-N 428.517 5.275 30 20 IKED Cn1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(-c2cccs2)n1 506976966 ARXJTFXOWLHVJS-UHFFFAOYSA-N 428.517 5.046 30 20 IKED C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@@H](c2ccccc2)C1 508493616 MFMXOKVUCCXVKG-OAQYLSRUSA-N 443.576 5.141 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[C@@H](CC(F)(F)F)C1 508745656 HXBAGTVEWBLSOF-IRXDYDNUSA-N 430.474 5.536 30 20 IKED CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510060114 XFMYEUHBCRPDOJ-FQEVSTJZSA-N 434.883 5.568 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cc(Br)ccc2Cl)cc1 510960563 JQGFJMUSFITLIZ-UHFFFAOYSA-N 431.639 5.179 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4nc5ccccc5n4C)cc3)o2)cc1 513667045 QQMLEUBMGCNMPI-HXUWFJFHSA-N 433.471 5.089 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccccc1F 514358387 LUQJUBSQYWJOOW-AWEZNQCLSA-N 430.936 5.351 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 515796271 HRZHBBJITKKPET-UHFFFAOYSA-N 435.474 5.115 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)cc1 517879067 HGCSCCIRAXRAEM-UHFFFAOYSA-N 437.503 5.099 30 20 IKED CC1CCN([C@H](CNC(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccccc2)CC1 518168489 IYMHYTMLLJUPIM-NFBKMPQASA-N 436.625 5.533 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC[C@H](c3cccs3)N3CCCC3)cc2)cc1 518917223 HWGISHGDRWVSGU-HSZRJFAPSA-N 431.561 5.173 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)cc(Br)c1OC 519195428 AJTGPCDIVOKRLE-UHFFFAOYSA-N 436.737 5.427 30 20 IKED Cc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1C 519415831 YQDYHOCVHUCLHH-INIZCTEOSA-N 436.606 5.472 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC 520600956 XGJHBGHUIKWOPA-QGZVFWFLSA-N 431.492 5.641 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)nnn1-c1ccc2ncccc2c1 521324661 CYIFVDSLBWOILZ-UHFFFAOYSA-N 446.470 5.040 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 521352068 SKIZPADYXUBTNV-FQEVSTJZSA-N 447.753 5.373 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1COCc1ccccc1 521782930 CSSKZSFQTNWHPE-UHFFFAOYSA-N 441.575 5.643 30 20 IKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 521789811 MIAFRGNSOSQMSD-INIZCTEOSA-N 431.517 5.428 30 20 IKED CCCN(CCC)C(=O)c1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1 523272039 BIBQEHQUBWYIBO-UHFFFAOYSA-N 445.519 5.245 30 20 IKED CCN([C@@H](c1ccc(C(C)C)cc1)c1cccnc1)S(=O)(=O)c1ccc(C#N)cc1F 530712883 OIOSVSBXMJNZPW-DEOSSOPVSA-N 437.540 5.016 30 20 IKED C=C(C)COc1cc(CNc2cccc(C[S@@](=O)C3CCCCC3)c2)ccc1OC 533219252 AGUYSBCPOLPXPA-SSEXGKCCSA-N 427.610 5.844 30 20 IKED CC(=O)N1CCc2cc(NC(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)ccc21 534876982 HJFNKTYHEUYUMI-UHFFFAOYSA-N 431.879 5.165 30 20 IKED Cc1cc(C)cc(-n2nc(-c3ccco3)cc2NC(=O)N(CCC#N)Cc2ccco2)c1 537055461 WFZPPYFCOJWJAN-UHFFFAOYSA-N 429.480 5.290 30 20 IKED COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1ccc(C3(C#N)CC3)cc1)CC2 537389583 NPVGZAUPACOYNO-AREMUKBSSA-N 438.527 5.047 30 20 IKED C[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 539630251 OGGKSJICFMEFBG-KRWDZBQOSA-N 427.479 5.124 30 20 IKED CC(C)(C)c1nsc(Oc2ccc(NCCCC3(C#N)CCOCC3)cc2Cl)n1 539711082 DJEXUIHEXUFKNN-UHFFFAOYSA-N 434.993 5.794 30 20 IKED Cc1ccc(-c2csc3nc(SCC4(C#N)CC4)n(C[C@H]4CCCO4)c(=O)c23)cc1 539762232 XYEBGFOPBMHJCE-QGZVFWFLSA-N 437.590 5.008 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)cc1 542349155 GEWOPWQWJIWGGI-XMMPIXPASA-N 440.934 6.064 30 20 IKED N#Cc1cccc(COc2cccc(CNCCCc3nc(-c4ccc(F)cc4)no3)c2)c1 544179352 DJEWCXBPUXPDFB-UHFFFAOYSA-N 442.494 5.049 30 20 IKED Cc1sc([C@H](C)NCC(=O)N(CCC#N)c2ccccc2)nc1-c1ccc(Cl)cc1 544471555 VGSVCNPVWAYQAB-INIZCTEOSA-N 438.984 5.369 30 20 IKED COc1cccc(OC)c1OC1CCN(c2c(C#N)cnc3c(Cl)cc(C)cc23)CC1 549259510 BDYGZIGKALZNMG-UHFFFAOYSA-N 437.927 5.133 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N[C@@H](c3cccc(C(F)(F)F)c3)C3CC3)CC2)c(F)c1 552252019 XVXOCCSFHWFHAH-JOCHJYFZSA-N 445.460 5.200 30 20 IKED COc1ccc(-n2c(SCc3ccc(C#N)cn3)nnc2-c2ccc(Cl)cc2)cc1 555685108 XORGPNCXMFFRGC-UHFFFAOYSA-N 433.924 5.155 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 557588431 CNGYFFVYGOJPMU-UHFFFAOYSA-N 445.441 5.148 30 20 IKED COC(=O)c1scc(-c2ccc(C)cc2)c1NC(=O)CSCc1ccc(C#N)cc1 558244390 QCIAWQXJLMBSAQ-UHFFFAOYSA-N 436.558 5.254 30 20 IKED N#C[C@@H](NC(=O)c1cccc(OCc2cccs2)c1)c1ccc(OC(F)(F)F)cc1 561290620 IVTIQFINYZHCMN-LJQANCHMSA-N 432.423 5.220 30 20 IKED Cc1cc(Br)cn2c(CNc3ccc(Oc4ccnc(C#N)c4)cc3)cnc12 562082657 UNTLXVRTWRTTIK-UHFFFAOYSA-N 434.297 5.076 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CCCN(C)Cc1ccco1 562147811 TVGNYNBBYSNHHD-UHFFFAOYSA-N 446.551 5.025 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1)C1CC1 574069795 WGZISXWIKIWLEQ-UHFFFAOYSA-N 445.906 5.772 30 20 IKED CSCC[C@](C)(C#N)NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 575090593 DXGXERSNBWRKGJ-OAQYLSRUSA-N 427.620 5.233 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(-c3ccc4ccccc4c3)no2)CC1 575907200 YYJONBBAQBTQGI-UHFFFAOYSA-N 437.459 5.393 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)C3(c4cc(F)cc(C(F)(F)F)c4)CC3)cc2)ccn1 579299743 CJEMYEYSQSPUMW-UHFFFAOYSA-N 441.384 5.574 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 585746932 VWNHZGBRUMDICE-FGZHOGPDSA-N 443.469 5.031 30 20 IKED N#Cc1cc(Cl)c(C(=O)NCC2(c3ccc(Br)s3)CCC2)c(Cl)c1 586857779 VETHDFYAJAGKDW-UHFFFAOYSA-N 444.181 5.541 30 20 IKED C=CCn1c(SC[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)nnc1-c1ccccc1F 588635814 GPARFSWBUWUVEW-MAUKXSAKSA-N 447.963 5.154 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1 589328093 ZSIGRLFBTPGVJP-IFMALSPDSA-N 436.625 5.362 30 20 IKED CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 603690718 OYFHTOCVTIQTDA-HSZRJFAPSA-N 428.492 5.513 30 20 IKED C=CCN(C(=O)c1csc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 603752294 HKUBNVHETKOGCF-UHFFFAOYSA-N 440.333 5.919 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)CCOc3cccc(F)c3)s2)c(C(F)(F)F)c1 603758658 ZPMQWPORDCZJSU-UHFFFAOYSA-N 449.429 5.171 30 20 IKED Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)Nc1sc2c(c1C#N)CCCCCC2 603996660 NJYLFAYPZHSYJT-UHFFFAOYSA-N 431.561 5.299 30 20 IKED N#Cc1cccnc1Oc1ccccc1NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 604007644 KUAFPLREUDQZFF-UHFFFAOYSA-N 446.816 5.468 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCc4[nH]c5ccccc5c4C3)cc2Cl)cc1 604088426 VFJZZZYXVPWCQQ-UHFFFAOYSA-N 442.906 6.075 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 604459258 QRLYVKFXQYLIHZ-QGZVFWFLSA-N 449.526 5.244 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(Cc4ccc(F)cc4)CC3)cn2)cc1 604561891 VRSUFEQOZSMWIM-UHFFFAOYSA-N 430.483 5.371 30 20 IKED C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 606181964 KHLKBZBRCLUROL-LERXQTSPSA-N 435.330 5.473 30 20 IKED CCOc1c(Br)cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC 609427780 LATLRFGUYBLTAW-ZDUSSCGKSA-N 449.370 5.503 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(COc4ccccc4C#N)c3)cn2)cc1 609627675 ZSBNPEKTIGBPPH-UHFFFAOYSA-N 446.466 5.449 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 609723928 NKZKKXKKOOUMBD-MRXNPFEDSA-N 447.947 6.651 30 20 IKED CC(C)c1nc([C@@H]2CCCCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)no1 611530602 WORYBUXPGRVCQW-FQEVSTJZSA-N 446.511 5.401 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(NC(=O)C4CCCCC4)c3)n2)cc1 613317996 CNFMJFCCEQGPPY-JOCHJYFZSA-N 443.572 6.127 30 20 IKED CCOc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cs2)cc1 613391897 FARRXDXDPOVHCB-GOSISDBHSA-N 431.542 5.822 30 20 IKED CCOCCCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@@](C)(C#N)C1 619840179 NEYAZORTMADWNX-IBVKSMDESA-N 447.583 5.128 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(F)c(F)c2)nnc1-c1ccc(Cl)cc1 641978778 UAQZILVZMGNERJ-CYBMUJFWSA-N 448.926 5.032 30 20 IKED CC(=O)c1ccc(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)o2)cc1 642281319 ZGGJQUDEUDXSNT-FQEVSTJZSA-N 426.497 6.071 30 20 IKED Cc1cc2ncc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)c(C)n2n1 642281549 JADSHYAXBCYEDB-AWEZNQCLSA-N 442.331 5.267 30 20 IKED O=C(c1ncoc1-c1cccc(C(F)(F)F)c1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 680035381 HBFDXRUTXJHKNS-QWRGUYRKSA-N 446.269 5.173 30 20 IKED O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 681478110 UIUXFKPJUMAVHS-RKDXNWHRSA-N 442.709 5.953 30 20 IKED COc1cc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1C(F)(F)F 684122918 RBWSMYBIRHHHRQ-DTORHVGOSA-N 438.290 5.309 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1nc2ccccc2s1 726318927 UEDGYUGWCROBLG-HNNXBMFYSA-N 443.475 5.858 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)c1 726505005 MEBVTFIGGJHBCQ-UHFFFAOYSA-N 425.488 5.231 30 20 IKED Cc1cc(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)c(C)n1-c1ccc(C#N)cc1 728270753 OVPFYYQFIXTXFA-UHFFFAOYSA-N 434.499 5.470 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 729572400 IBILFIVGVBMZSG-UHFFFAOYSA-N 448.445 5.588 30 20 IKED O=C(/C=C\c1ccc(OCc2occc2C(=O)O)cc1)c1ccc(OCC(F)(F)F)cc1 730948343 DINUGJHXABSPHF-KMKOMSMNSA-N 446.377 5.394 30 20 IKED O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 731108149 HNYZRUPABYIQIV-AREMUKBSSA-N 428.507 5.203 30 20 IKED Cc1nc2sc3c(c2c(=O)n1N=Cc1ccc(OC(F)F)c(Cl)c1)CCCCC3 731486151 OSXORERKHBHJDE-UHFFFAOYSA-N 437.899 5.172 30 20 IKED O=C(/C=C/c1ccc(-c2cccc(Br)c2)o1)c1ccc(C(F)(F)F)nc1O 731562815 HADIRMXVGZXYBY-QPJJXVBHSA-N 438.199 5.725 30 20 IKED COc1cc(OC)cc(Oc2ccc(/C=C\C(=O)c3ccc(C(F)(F)F)nc3O)cc2)c1 731564566 KTYPZQIEBPQXDO-UITAMQMPSA-N 445.393 5.512 30 20 IKED Cc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 732899436 VLQJWUSSGDSEQP-IZZNHLLZSA-N 439.559 5.493 30 20 IKED C#CCN(C(=O)N[C@@H](c1ccccc1)C1CC1)[C@H]1CCOc2ccc(Br)cc21 733339132 QTMYVSLVXILBNF-UNMCSNQZSA-N 439.353 5.069 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)C1CC1 734304219 GERUXWPXZIHDOQ-GORDUTHDSA-N 448.388 5.592 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 734318895 WIZMODQXKMXIIA-UHFFFAOYSA-N 443.503 5.737 30 20 IKED CN1C(=O)C[C@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)[C@H]1c1cccc(Cl)c1 734392018 NTSQSBNXAFCGGB-SONWIMMPSA-N 443.934 5.154 30 20 IKED COC(=O)N(C)Cc1ccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 735366977 LHMHWPNQFWVBHP-UHFFFAOYSA-N 430.464 5.193 30 20 IKED C=C(Cl)CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)cc1 735969408 JBOYTGJNYIPOGR-IBGZPJMESA-N 445.947 5.155 30 20 IKED C[C@@H](OC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nnc(-c2ccccc2)o1 741819014 JRBJDGFADLCKLT-QGZVFWFLSA-N 441.512 5.819 30 20 IKED Cc1ccc(-c2cc(C(=O)OCc3nnc(-c4cccc(C#N)c4)o3)c3ccccc3n2)o1 741833152 PSEDSDPNEKYESQ-UHFFFAOYSA-N 436.427 5.082 30 20 IKED Cc1nc(C2CCCC2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 744025407 LBZZKFPBOKZKRQ-OAHLLOKOSA-N 435.521 5.385 30 20 IKED CC(C)=CC(=O)NCc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 744033327 ZFFIJCFOHQWSOW-NRFANRHFSA-N 429.545 5.191 30 20 IKED N#C[C@H](C(=O)Cc1ccc(NC(=O)C2CC2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 744037848 FZXOKJQALBTSRD-MRXNPFEDSA-N 443.450 5.083 30 20 IKED N#C[C@@H](C(=O)CCCc1ccc2c(c1)-c1ccccc1C2)C(=O)Nc1ccccc1Cl 747562778 WZFUJTDUUFDVPU-QFIPXVFZSA-N 428.919 5.581 30 20 IKED C=CCC[C@H](NC(=O)NCc1nc(Cc2ccccc2)no1)c1ccc(C(F)(F)F)cc1 750277812 RBYPMKWRPOZMGJ-IBGZPJMESA-N 444.457 5.186 30 20 IKED Fc1ccc(OCc2nnc(S)n2N=Cc2ccc(-c3cccc(F)c3)s2)cc1 750932875 RUDARGOSBGQUPE-UHFFFAOYSA-N 428.489 5.035 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCc1ccc(Br)c(C)c1 751827483 STFQYCBAZSOLCX-IBGZPJMESA-N 441.369 5.163 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)ccc1F 752376942 XSCPUTBUDBFYSF-UHFFFAOYSA-N 438.484 5.420 30 20 IKED CC(C)(C)OC1CC(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1 753920786 LCBAPTLOWGRKFW-LDZOIKDWSA-N 437.392 6.277 30 20 IKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(C2CC=CC2)C1=O 759692608 DITRJALKYCTQKX-QFIPXVFZSA-N 449.576 5.154 30 20 IKED CC/C=C(/C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 764754916 LCLWLKLTCSPTGH-XQRVVYSFSA-N 428.213 5.328 30 20 IKED FC(F)(F)c1cc(NN=Cc2ccc(Sc3ccccn3)o2)nc(-c2cccnc2)n1 766449815 CLADUFZNGIMVCS-UHFFFAOYSA-N 442.426 5.143 30 20 IKED COc1ccc(CNc2ccc(N3CCSCC3)c(Cl)c2)cc1OCCCC#N 770543874 DRHQKFONCOMBRW-UHFFFAOYSA-N 431.989 5.196 30 20 IKED C#CC[C@H](N[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21)c1ccccc1 773114930 KXKGCDHJZZTZFT-WCYRKSIYSA-N 432.564 5.244 30 20 IKED C[C@@H](NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1ccc(OCC#N)cc1 776162749 KGJUKMLKSCHNOH-MRXNPFEDSA-N 427.426 5.646 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnc(-c3ccc(F)c(F)c3)s2)cc1 780310031 RKAZUCVIAYLFMM-SUMWQHHRSA-N 439.487 5.563 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1 780680463 FAXQHUMEAGEQFV-MRXNPFEDSA-N 431.458 5.973 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1 780933234 VRRVIIOZGLDZIL-CYFREDJKSA-N 446.572 5.580 30 20 IKED Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 782552431 FJRNTMDTOMAJNV-ZEQRLZLVSA-N 427.552 5.831 30 20 IKED O=C(/C=C/C1CCOCC1)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 783557419 BGWPQNVNEYKTKX-YLSAJCSVSA-N 449.313 5.427 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)OCc3cccc(C#N)c3)cs2)cc1 784868452 ZWVSFZTYGHBZEK-UHFFFAOYSA-N 449.532 5.310 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)c1 786106732 ALIZBDKROWLFAL-KRWDZBQOSA-N 438.434 5.155 30 20 IKED C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1c[nH]c2ccccc12 786307693 AOEIEOCQDQWFPX-GHTZIAJQSA-N 437.499 5.801 30 20 IKED Cc1ccccc1Sc1ccc(C(=O)[C@@H](C#N)C(=O)NCc2ccc(F)c(F)c2)cc1 786563037 GIRJHEBFAVSFLM-LJQANCHMSA-N 436.483 5.063 30 20 IKED C=CCOc1ccc(CN(C(=O)c2ccc(CN3CCCCC3=O)cc2)C(C)(C)C)cc1 786642422 BEQTYUPNNRCGCS-UHFFFAOYSA-N 434.580 5.205 30 20 IKED CCN(C(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)c1ccc(C#N)c(Cl)c1 796850375 KRASMOJTQNTTMR-UHFFFAOYSA-N 439.943 5.566 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(Oc2ccccc2)CC1 802550137 NMPLRKCCPPAJQB-UHFFFAOYSA-N 425.536 5.117 30 20 IKED N#CC1(CCCOC(=O)CCc2cc(C(F)(F)F)ccc2Br)CCOCC1 815341924 FYJQXONVURPRAR-UHFFFAOYSA-N 448.279 5.044 30 20 IKED COc1ccc(-c2nc(SCCOc3cc(Cl)ccc3Cl)nc(O)c2C#N)cc1 824960180 RYLAQHLQROOZLT-UHFFFAOYSA-N 448.331 5.207 30 20 IKED C=C(C)COc1cc(CNc2cc(C(=O)N3CCCCC3)ccc2Cl)ccc1OC 864003239 LEPGTNBZRKSUSL-UHFFFAOYSA-N 428.960 5.542 30 20 IKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(-c2nc(-c3ccco3)no2)ccc1Cl 904761221 AKBBZUCFVBFWRH-UHFFFAOYSA-N 441.896 5.031 30 20 IKED O=C1Nc2c(ccc(Cl)c2Cl)C1=NNc1ncnc2sc(-c3ccccc3)cc12 914692137 MOVVUUOWRUURLJ-UHFFFAOYSA-N 440.315 5.433 30 20 IKED CCN(CC)CCN(Cc1cccs1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915352469 LDCLPQYRPPKCEY-VWLOTQADSA-N 446.620 5.779 30 20 IKED COc1cccc2cc(C(=O)/C=C/c3cccc(NC(=O)c4ccccc4Cl)c3)oc12 916129876 ASXNATDHCMSUGG-OUKQBFOZSA-N 431.875 6.243 30 20 IKED CC[C@H](C)c1ccc(N=C2NC(=O)[C@@H](CC(=O)Nc3cccc(C(F)(F)F)c3)S2)cc1 916232950 WEUBCTNGXZTFMJ-SCLBCKFNSA-N 449.498 5.467 30 20 IKED O=C(Nc1cc(N2CCCC2=O)ccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 917797843 GNIPLHNSAADULP-UHFFFAOYSA-N 434.311 5.242 30 20 IKED CCN(CC)CCOc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 918127172 JCGJEFDJRPKXOJ-AREMUKBSSA-N 427.548 5.315 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)CSc2cccc3cccc(Cl)c23)n1 920326382 DZEGIKRCVOVUMV-CYBMUJFWSA-N 430.938 5.095 30 20 IKED Cc1sc2ncn(N=Cc3csc(-c4ccsc4)n3)c(=O)c2c1-c1ccccc1 920363591 BMWZPFPIPOMQDV-UHFFFAOYSA-N 434.571 5.501 30 20 IKED Cc1cccc(-c2nnc([C@H](C)OC(=O)c3cccc(OCc4ccccc4C#N)c3)o2)c1 920416166 RCIKQPFHQSSIIG-SFHVURJKSA-N 439.471 5.414 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccco4)no3)CCC2)cc1 1786103827 GQMVZUIEBYWKLH-UHFFFAOYSA-N 445.519 5.451 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CSc3ccncc3)cc2)CCC1 1786768445 JDFWNQIDOOPLSR-JOCHJYFZSA-N 435.593 5.076 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc4nc(C)ccc4o3)cc2)CCC1 1788322358 WQXINPKPKFBFTH-NRFANRHFSA-N 443.547 5.652 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4nccc-4c3)cc2)CCC1 1788462128 PDTUIJOUFMCTMA-QFIPXVFZSA-N 428.536 5.031 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(C)ccc4[nH]3)cc2)CCC1 1788964712 BYWGHSGJCYHKAV-UHFFFAOYSA-N 445.563 5.207 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C)cn3)CCC2)cc1 1789453091 JUGKPTFFHXDZFR-XMMPIXPASA-N 431.580 5.225 30 20 IKED Cc1ccoc1C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790083728 ITPGAYFKXFQGNB-UHFFFAOYSA-N 433.895 5.175 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)/C(C)=C/c2cccs2)[C@@H]1c1cccnc1 1802435221 BFALTKVHJYGLDJ-PVMVCBOASA-N 449.620 5.021 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1 1802495291 AQLIWNSGXNBFNZ-XUZZJYLKSA-N 445.563 5.140 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sccc2OCC)CC1 1823643968 LHUGYPVDPJJRGT-FQEVSTJZSA-N 446.657 5.373 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cccc(F)c4s3)CC2)C1 1823700170 HOCHZAHJCJTRRI-NRFANRHFSA-N 440.584 5.240 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)CC2)C1 1828456676 UISSEAINHVYDAC-KTJVCJKDSA-N 426.645 5.179 30 20 IKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)cc1 1830061992 LJXKEJORPDICLJ-XMMPIXPASA-N 449.982 5.067 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(OC)c2)CC1 1830462485 GPFHXEYKKXXCLF-JWQCQUIFSA-N 438.612 5.005 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 1831372711 HVMZWYLXRIRFMI-XFFRTBGTSA-N 428.661 5.425 30 20 IKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c(Cl)c1 1832607904 PZJWNKYYOYGNLI-XMMPIXPASA-N 449.982 5.067 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(N(C)C)cc2)cc1F 11083168 AHHIMMAIQDDQOW-UHFFFAOYSA-O 448.587 5.027 30 20 IKED Cc1ccccc1N/C(S)=C(/C(=O)c1ccccc1)[n+]1ccc(Cc2ccccc2)cc1 11165998 KIMOCPBMCZUVIX-UHFFFAOYSA-O 437.588 5.924 30 20 IKED Cc1ccc(-n2c(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nnc2-c2cccc(C)c2)cc1 22137195 GLULFRKUWGNNPH-CLOONOSVSA-N 447.608 5.086 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(C)c2)[n+]2ccc3c(c2)CCCC3)cc1 22729113 LJUHZXVLQZDRCO-UHFFFAOYSA-O 445.608 5.611 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1F)=C(/S)Nc1cc(C)ccc1C 22729741 NTEJKRIBSGBZAM-UHFFFAOYSA-O 425.524 5.482 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)cc1 25841121 SAGWTWOZTZEEBF-UHFFFAOYSA-N 432.833 5.598 30 20 IKED N#CC1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2c(F)cccc2Cl)CC3)CC1 61584841 OHXASSXXHRTTDA-VKAVYKQESA-N 445.925 5.890 30 20 IKED Cc1ccc(C#N)cc1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 64070538 YZWOXTDSZUMBPO-UHFFFAOYSA-N 433.471 5.172 30 20 IKED C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccccc1Sc1ccccc1C#N 115181330 MXXFYYHXCNUXQT-SFHVURJKSA-N 439.544 5.123 30 20 IKED C#CCCOc1ccc(CNC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)cc1 236686751 IGHGJQALVCFPSO-UHFFFAOYSA-N 441.571 5.463 30 20 IKED COc1ccccc1NC(=O)c1cc2ccccc2cc1OCc1ccc(F)cc1C#N 303171440 IVLLQCROIFFQHG-UHFFFAOYSA-N 426.447 5.690 30 20 IKED Cc1c(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cccc1-c1ncco1 432679455 PEYUPRJGZUWVKY-OAQYLSRUSA-N 442.906 6.603 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)n(-c2ccc(F)cc2)c1C 433042727 ZWUBVJDSXPLKKD-DEOSSOPVSA-N 443.526 5.068 30 20 IKED CC(=O)c1cc(Cl)c(Cl)cc1OCC(=O)Nc1ccccc1S[C@H](C)CC#N 434737374 JVMPFKYPQVWPTF-GFCCVEGCSA-N 437.348 5.608 30 20 IKED COc1ccc([C@@H]2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)C2)cc1 438659342 FFJIOOPSLLXASK-LJQANCHMSA-N 431.467 5.520 30 20 IKED C[C@H](Sc1ccccc1)c1ccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 438871331 YHEUJOPAIWQONR-IBGZPJMESA-N 443.576 5.161 30 20 IKED Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 439396277 XXSSJDHMDFBBFW-UHFFFAOYSA-N 448.482 5.298 30 20 IKED CCCc1c(NC(=O)N(C)C[C@@H](C)Cc2ccc(OC)cc2)cnn1-c1cccc(C#N)c1 439689063 UGCXGHOICCDDOK-IBGZPJMESA-N 445.567 5.048 30 20 IKED CCCc1c(NC(=O)[C@@H](C)CC(=O)c2ccc(Cl)cc2)cnn1-c1cccc(C#N)c1 440087530 JWKUMFKQMBLQKF-INIZCTEOSA-N 434.927 5.197 30 20 IKED CC(C)c1ncc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cn1 440932699 ZVBQGCKTIWUTAI-UHFFFAOYSA-N 435.915 5.581 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 442673056 RXOGZQQGGNDDOD-OAHLLOKOSA-N 427.316 5.587 30 20 IKED Cc1ccccc1[C@@H](CC(F)(F)F)NCC(=O)Nc1ccccc1S[C@@H](C)CC#N 444779431 YIZKSGLMNJZAHI-QFBILLFUSA-N 435.515 5.611 30 20 IKED N#Cc1ccc(Oc2cccc(-c3nc(CC(=O)Nc4cccc5ncccc45)no3)c2)cc1 445289535 DCXXTHJSDSQYOD-UHFFFAOYSA-N 447.454 5.130 30 20 IKED C[C@H](Oc1ccccc1C#N)c1nc(CC(=O)Nc2ccccc2Oc2ccccc2)no1 445320624 QCFBWNXZFLGBIZ-KRWDZBQOSA-N 440.459 5.055 30 20 IKED CCC(=O)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 448132336 KJKZQBWRINPWKE-UHFFFAOYSA-N 442.484 5.105 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)cc1 460646344 CMYQTTHQWSNPQS-HSZRJFAPSA-N 441.535 5.313 30 20 IKED C=CCOc1c(Br)cc(CNc2ccc(CC(F)(F)F)cc2)cc1OC 462732321 YAQHXHZUNILDAY-UHFFFAOYSA-N 430.264 5.739 30 20 IKED C[C@H](SCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(Cl)c(Cl)c1 463204479 RXXCLAFSRLHLNG-ZDUSSCGKSA-N 431.348 5.484 30 20 IKED N#C[C@@H](C(=O)c1oc2ccccc2c1COc1ccccc1)c1cc(C(F)(F)F)ccn1 464412672 UGOOIJMHOJNGOX-GOSISDBHSA-N 436.389 5.916 30 20 IKED CO[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1cccc(Cl)c1 464592100 JIHQTFALVHGGHB-QFIPXVFZSA-N 436.964 5.621 30 20 IKED O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 464723418 AOYOFXCDBVZTOY-OLZOCXBDSA-N 443.322 5.190 30 20 IKED COc1ccccc1[C@@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1Cl 466071466 AOCYTNWBXMLWDB-QHCPKHFHSA-N 433.939 6.061 30 20 IKED COc1ccc([C@@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1Br 468982449 KREADFGOBVSJHG-OAHLLOKOSA-N 442.357 5.214 30 20 IKED CC(C)Oc1ccc(-c2cccc([C@@H](C)N(C)C(=O)Nc3ccn(CCC#N)n3)c2)cc1 470588458 QVZGBVUZNHHHDW-LJQANCHMSA-N 431.540 5.476 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H](c2ccsc2)O[C@H](C)C1 470779321 MRCMLBJSHWVFOA-UZUQRXQVSA-N 433.533 5.714 30 20 IKED Cc1nnc(-c2cccc(C#N)c2)n1[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 471299823 DNNSZRCERUYURJ-LLVKDONJSA-N 425.279 5.091 30 20 IKED COc1cccc([C@@H](NCc2nnc(-c3ccc(C#N)cc3)o2)c2ccccc2Cl)c1 471683207 QYWBHVZLIULMBV-HSZRJFAPSA-N 430.895 5.149 30 20 IKED Cc1c(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cccc1C(F)(F)F 471864848 URSGVVYCBKHKLT-UHFFFAOYSA-N 431.311 5.610 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3ccc(N[C@H](C)c4ccccc4)cc3)C2)n1 471998255 MQKAORPRBGHZBT-NFBKMPQASA-N 439.563 5.290 30 20 IKED C=CCC[C@@H](NC(=O)NCc1ccc(NC(=O)N(C)C)cc1)c1ccc(C(F)(F)F)cc1 474741098 DXFOZOYQYWRQEQ-HXUWFJFHSA-N 448.489 5.306 30 20 IKED CC(C)CN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H]1CCCc2cccnc21 475949700 WFBDTMYVEGGSKN-JOCHJYFZSA-N 429.520 5.301 30 20 IKED C[C@H](SCCCOc1cccc(C#N)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 477376187 SCMPVFOMFSNFKW-ZDUSSCGKSA-N 442.890 5.760 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc4c(s3)CCOC4)s2)c(C(F)(F)F)c1 482764798 ZLURPDOOELRGNY-UHFFFAOYSA-N 449.479 5.011 30 20 IKED COc1ccccc1-c1csc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)n1 482930677 KRAFJHOMVCEEEA-UHFFFAOYSA-N 427.485 5.735 30 20 IKED C=CCN(CC1CCCCC1)C(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 483672983 RTZWVDJNRQCNDF-UHFFFAOYSA-N 436.600 5.084 30 20 IKED N#CCCC[C@@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccccc1 487362809 WYZUVUQJPVAUFK-AREMUKBSSA-N 439.559 5.243 30 20 IKED N#Cc1ccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)cc1Br 487845010 WOGAGFYDKPQJIN-UHFFFAOYSA-N 434.721 5.049 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C(=O)Nc3ccccc3Cl)C(C)C)o2)cc1 489803668 DSMQTZHJEJWTTI-IBGZPJMESA-N 443.956 5.710 30 20 IKED N#C[C@@H](C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1nc2ccccc2s1 489850754 VCFIRJWSTNSBDF-SFHVURJKSA-N 429.457 5.274 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 495623804 KBDQBKKKULOUOL-HIFRSBDPSA-N 436.606 5.218 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@H](C#N)c3cccc(Br)c3)cc2)cc1 496227882 WCHZLQAVFMNIGH-JOCHJYFZSA-N 446.304 5.302 30 20 IKED C=CCN(C(=O)Nc1cc(C(F)F)ccc1Cl)[C@@H](C)c1cccc(-n2cnnn2)c1 497233529 XYXRAEJSIWEHNU-ZDUSSCGKSA-N 432.862 5.034 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@H](c3cccc(F)c3)c3ccccn3)cc2)cc1 498880812 QLQYQXNVGDUDTJ-AREMUKBSSA-N 437.474 5.598 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 499085943 CUAGXCOTCQIUSK-DEOSSOPVSA-N 439.559 5.002 30 20 IKED O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccc(F)cc1OCCC(F)(F)F 500232118 NQNYFGAGKUURCO-UHFFFAOYSA-N 449.326 5.164 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cc4sc5ccccc5c4s3)CC2)c1 501717454 OMOXMHQRCQLFDK-UHFFFAOYSA-N 445.569 5.479 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(Cn2cnc3ccccc32)c1 502266097 HGZUHQPSSCVSDR-UHFFFAOYSA-N 437.547 5.078 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 502918402 LUGISJCUGYIKCW-UHFFFAOYSA-N 432.499 5.252 30 20 IKED CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccccc1SCCC#N 503252785 LMHBSAOOBNGQRW-HXUWFJFHSA-N 429.973 5.140 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@H](c4ccccc4F)C3)c2)cc1 504023218 VCAPJGPURUIDAG-NRFANRHFSA-N 429.495 5.492 30 20 IKED CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)c12 505322901 MROWDMPNOIKOMG-HNNXBMFYSA-N 442.441 5.593 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 505541574 ZOHIJWPBCPDVCH-CYBMUJFWSA-N 434.304 5.203 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Nc2cnn(Cc3ccccc3)c2)cc1 508272138 GFIINNAJKILKCB-UHFFFAOYSA-N 439.475 5.248 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O 510274135 VRWKVCIAYDQGQB-JOCHJYFZSA-N 445.906 5.304 30 20 IKED C[C@H](SCC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nc2ccccc2[nH]1 511625012 JFAZKMLVUIZJRV-INIZCTEOSA-N 428.517 5.660 30 20 IKED CCN(CC)C(=O)c1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 514638382 YPPWFXSBDXUQNZ-UHFFFAOYSA-N 443.572 5.585 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cc(Cl)cc4cccnc34)c2)cc1 515450350 JAXPQXAEDCCMEZ-UHFFFAOYSA-N 427.891 5.786 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H]1CCc2c(Cl)cccc21 516289697 PIWXDJABSXKUOC-QHCPKHFHSA-N 445.906 5.055 30 20 IKED N#CCCCOc1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)c1 516402387 VXCINLRCQBJHIV-UHFFFAOYSA-N 441.462 6.083 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 517461177 BQYDCWRVAGUTRG-JTSKRJEESA-N 447.526 5.331 30 20 IKED Cc1nc(O)cc(-c2ccc(NC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)cc2)n1 518738099 QSKLOJCYWUODCC-UHFFFAOYSA-N 437.459 5.466 30 20 IKED CC(C)NC(=O)Nc1ccccc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 518872418 DTTJVKKPQJLPSO-AWEZNQCLSA-N 440.475 5.108 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3ccc(CN4CCCC4)cc3)c2)cc1 519196481 DEUBUQWEKMSTHV-UHFFFAOYSA-N 426.520 5.268 30 20 IKED COc1cc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(C)C 520271342 DXPAASPHNJWIKQ-QGZVFWFLSA-N 440.849 5.397 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(CN2CCC[C@@H](C)C2)cc1 521261250 OOMOKAHUVNXQKI-WOJBJXKFSA-N 436.625 5.492 30 20 IKED COc1ccc(-n2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)n2)cc1 521735165 ZLQFKWKJRACMLY-UHFFFAOYSA-N 446.454 5.158 30 20 IKED Cc1c(CN2CCSCC2)cccc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 523123489 KOSSRMHSPHOTHH-UHFFFAOYSA-N 442.588 5.411 30 20 IKED CC(C)(C)n1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1C(F)(F)F 524411802 YHBOFCKBECNJSD-UHFFFAOYSA-N 442.441 5.360 30 20 IKED Cc1cc(C(=O)Nc2ccccc2SCCC#N)c2cnn(Cc3cccs3)c2n1 524674049 XHWZJKNSKIMNHC-UHFFFAOYSA-N 433.562 5.108 30 20 IKED CC(=O)Nc1ccccc1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524700693 KIDRACSSUMZCFQ-UHFFFAOYSA-N 448.910 5.071 30 20 IKED C[C@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)c1nc(Cc2ccccc2)no1 525045986 SNBKGHNOOJHFCB-HNNXBMFYSA-N 428.517 5.529 30 20 IKED COc1cccc(/C=C(\CC(=O)Nc2cc(CC#N)ccn2)c2nc3ccccc3s2)c1 531929533 SKNOXGJAGDKLSW-CPNJWEJPSA-N 440.528 5.335 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCc1ncc(-c2ccc(Cl)cc2)o1 532016919 LCZZIDCTJYRFSC-UHFFFAOYSA-N 438.940 5.644 30 20 IKED N#Cc1cccc(COc2cccc(CNc3ccccc3OCc3cscn3)c2)c1 533211373 JYMAYRNZJLQPPT-UHFFFAOYSA-N 427.529 5.785 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C 540114098 KPEKYLAEGCOTKG-UHFFFAOYSA-N 447.848 5.295 30 20 IKED O=C(N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)c1ncccc1C(F)(F)F 541112570 SVFPBRSDHLCMQN-GFCCVEGCSA-N 432.242 5.032 30 20 IKED C=CCc1ccc(OCC(=O)Nc2ccc(Oc3nncc4ccccc34)cc2)c(OC)c1 541242999 JRZMAXZOWXAKAU-UHFFFAOYSA-N 441.487 5.177 30 20 IKED C[C@@H](Sc1ccccc1)c1ccc(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1 548881992 OHFCMHLKYRACNW-HXUWFJFHSA-N 442.588 6.024 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](c2ccsc2)C1 549685694 RULQMNVNNRFACT-SIKLNZKXSA-N 438.597 5.250 30 20 IKED C=CCC[C@H](Nc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1)c1ccco1 560553564 GIMIYFFGTGEYDK-UWJYYQICSA-N 426.948 6.065 30 20 IKED Cc1sc(NC(=O)CCCCOc2cccc(C#N)c2)nc1-c1cccc([N+](=O)[O-])c1 561821831 KVCJAYWGKUUOKN-UHFFFAOYSA-N 436.493 5.086 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC([C@@H](F)c2ccccc2F)CC1 567072354 WMVONVONUJHEMG-OPAMFIHVSA-N 429.536 6.175 30 20 IKED Cc1onc(-c2cccc(Cl)c2)c1C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 574892645 XKZJZYDOXJSLLI-INIZCTEOSA-N 435.789 5.197 30 20 IKED C=C1CCN(c2nnc(COc3ccccc3-c3ccccc3)n2C[C@H]2CCCCO2)CC1 575022504 CCXBSXBRQFXFER-HSZRJFAPSA-N 444.579 5.250 30 20 IKED CC1(C(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)CCN(c2ccc(Cl)cc2C#N)CC1 588018292 XOZPNCADZZCTJK-SFHVURJKSA-N 441.925 5.255 30 20 IKED N#Cc1cc(Oc2ccc(NCc3csc(COc4ccc(Cl)cc4)n3)cc2)ccn1 589323610 OALNONTYWBDSFM-UHFFFAOYSA-N 448.935 6.047 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)c2C#N)C1 590613650 ZUZBJERCOYFWJH-CYBMUJFWSA-N 425.941 5.624 30 20 IKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCCc3nc(O)c4ccccc4n3)c2C#N)C1 602286553 DSVUBBYJVUBGKJ-OAHLLOKOSA-N 448.592 5.381 30 20 IKED CCCc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)[nH]c(C)c1C(=O)OC 603846193 BQPVMSRUOMFTAB-CYBMUJFWSA-N 449.454 5.181 30 20 IKED C[C@H](CNC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F 608467121 SLGKUOIKJIDJNS-DCQANWLSSA-N 432.355 5.277 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccn(Cc3ccccc3)n2)cc1 608785300 QULOBWIXCNPPFK-UHFFFAOYSA-N 439.494 5.176 30 20 IKED COc1ccc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1Br 608918271 FGFQWWNGYLWUDM-OAHLLOKOSA-N 430.346 5.011 30 20 IKED C[C@@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccccc1Cc1ccccc1 609387090 KRPZJEAILYKSSL-VQTJNVASSA-N 429.589 5.968 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 609428749 ZOMLIYOEUMHFPN-ZDUSSCGKSA-N 431.348 5.826 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3occc3CN3C(=O)Cc4ccccc43)cc2)c1 609429502 FHITYZDCDVBKQF-UHFFFAOYSA-N 449.466 5.285 30 20 IKED CN(Cc1ccc(Br)s1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609433838 MBLPLQZLYXJQLR-UHFFFAOYSA-N 442.338 5.838 30 20 IKED C=CCn1c(SCC(=O)Nc2cccc(CSC)c2)nnc1-c1ccc(Cl)cc1 609454781 ZUIUHFDDQQLTEC-UHFFFAOYSA-N 445.013 5.378 30 20 IKED N#Cc1cccc(COc2cccc(CNCCc3nc(-c4cccc(Cl)c4)no3)c2)c1 609637068 NRRCMJQPOGNUHW-UHFFFAOYSA-N 444.922 5.173 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)NCc3ccc(OCc4ccccn4)cc3)c2)cc1 609987762 ZOKIPWYUCJVOIG-UHFFFAOYSA-N 434.499 5.206 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 610045500 DLMFNEFJSGAQDF-MUUNZHRXSA-N 431.863 5.054 30 20 IKED COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 610152126 MLYWAZNKFRYYEY-KRWDZBQOSA-N 429.358 5.084 30 20 IKED Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1OCC1CCOCC1 610163215 DMQTTXGMHPWHIT-UHFFFAOYSA-N 435.568 5.362 30 20 IKED Cc1cccc([C@@H](C)CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 610165146 QIJGLRUBGQNJLV-MBSDFSHPSA-N 445.950 5.162 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](C#N)c2ccccc2Br)c1 610197902 DLSJEIWJOTYHDN-GOSISDBHSA-N 448.748 5.082 30 20 IKED C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)C[C@@H](c2ccc(F)cc2)O1 610205623 OOPVQJKLMONPJF-VGSWGCGISA-N 432.520 5.451 30 20 IKED Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)ccc1NC(=O)CC(C)C 610224086 KCDGYPNBOHXALC-UHFFFAOYSA-N 431.458 5.056 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(OCc4ccc(F)cc4)CC3)cc2)cc1 611261146 BACDLLVLIWWJAA-UHFFFAOYSA-N 445.494 5.703 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NC(=O)N[C@@H]3CCc4cc(C#N)ccc43)s2)cc1 618813002 KVJGOHNDSJOLDE-YCRPNKLZSA-N 432.549 5.047 30 20 IKED N#CCCN(C(=O)CSc1ncnc2sc3c(c12)CCCC3)c1cccc(Cl)c1 619835451 UATYLBSRRXUNDZ-UHFFFAOYSA-N 442.997 5.262 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)nnc1-c1ccco1 623291614 PFEBOXMEAUXHSG-SJORKVTESA-N 432.549 5.235 30 20 IKED C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 670223750 ZFPPDHBRHYADQO-HXUWFJFHSA-N 443.551 5.001 30 20 IKED O=C(c1cc(F)c(Br)c(Cl)c1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 671753502 QPMCMHTUHPIQRH-KNVOCYPGSA-N 442.556 5.054 30 20 IKED C=C(C)[C@H](NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)c(F)c1 681329821 RDSRCAJUHZOQHR-JMSVASOKSA-N 430.339 5.354 30 20 IKED C=CCC[C@@H](NC(=O)N1CC[C@]2(C1)C(=O)Nc1ccccc12)c1ccc(C(F)(F)F)cc1 681657388 DIGSCNGVCDOAIX-AUSIDOKSSA-N 443.469 5.018 30 20 IKED N#C[C@H](C(=O)C1CCC(NC(=O)CC2CCCC2)CC1)c1nc(-c2ccccc2)cs1 726321626 KJYPXRLUTHQFMW-XVAXZDLZSA-N 435.593 5.242 30 20 IKED N#C[C@H](C(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1nc2ccccc2n1C(F)F 726323075 XESGACZTIRUZDX-CQSZACIVSA-N 447.401 5.037 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2nc(Cl)ccc2Cl)cc1C 726389442 SKBAEAVMVVNTER-UHFFFAOYSA-N 429.307 5.139 30 20 IKED C=CCSc1ccccc1NC(=O)COC(=O)c1csc(-c2ccccc2Cl)n1 727562723 FAIRXQBHFSXOTB-UHFFFAOYSA-N 444.965 5.537 30 20 IKED CC(=O)Nc1ccc(/C=C/C(=O)c2sc(-c3ccc(Br)cc3)nc2C)cc1 727780660 RKXYYDWXIWESML-LFYBBSHMSA-N 441.350 5.736 30 20 IKED COc1cc(OC)c(C(=O)/C=C/c2csc(-c3ccc4c(c3)OCO4)n2)cc1Cl 728439639 NIOQSARITMMJAW-SNAWJCMRSA-N 429.881 5.106 30 20 IKED Cc1csc(SCc2ccccc2C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)n1 728829714 AFPOCMMTMJNJNR-UHFFFAOYSA-N 449.601 5.299 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)CC2)cc1 728830131 HDTUMBMQIUTKEF-UHFFFAOYSA-N 445.133 5.250 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 729113276 YMGWZOCHQARVPD-HSZRJFAPSA-N 437.455 5.346 30 20 IKED CCC(CC)CN(CCC#N)Cn1nc(-c2ccncc2)n(-c2ccccc2C)c1=S 729472258 YYKSKTGNBHRZRJ-UHFFFAOYSA-N 434.613 5.383 30 20 IKED Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(C)C 732706902 TYSQNHSMCZYHEY-RPBOFIJWSA-N 425.532 5.103 30 20 IKED CC(C)[C@@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 733047342 QJBKWHNHHIVNBZ-RPBOFIJWSA-N 425.532 5.136 30 20 IKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cnn(CC(F)(F)F)c1 735638210 FXIYUOABYBHWSS-UPHRSURJSA-N 431.258 5.135 30 20 IKED Cc1nc(Cc2ccccc2)sc1[C@@H](C)OC(=O)CCc1c(C)nn(CCC#N)c1C 739592637 WFUMBRPSFDOZBX-LJQANCHMSA-N 436.581 5.006 30 20 IKED C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1C(F)(F)F 744031402 VZBGMSNUAYUDDW-GXFFZTMASA-N 429.225 5.463 30 20 IKED COc1cccc(Nc2nn(CN(Cc3ccc(C#N)cc3)C(C)C)c(=S)s2)c1 746033097 MMUZJKYPPNGIMK-UHFFFAOYSA-N 425.583 5.166 30 20 IKED CC(C)N(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)Cc1cccc(C(F)(F)F)c1 746146573 DOXYNAOGYLBZNS-LJQANCHMSA-N 438.453 5.153 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1 747108056 LLYWZZOWALQGIY-MRXNPFEDSA-N 443.261 5.886 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1oc2ccccc2c1COc1ccccc1 749360947 BEXLMPMTPNDLNW-UHFFFAOYSA-N 447.494 5.761 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NCc3cc(Cl)ccc3OCC#N)s2)cc1 754837714 ZAVUSNZAFDKSDQ-AWEZNQCLSA-N 427.957 5.534 30 20 IKED Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1cccn1Cc1cccs1 755524902 OCBFYRVNVROUEY-UHFFFAOYSA-N 434.377 5.334 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCSc1nccs1 758605524 YFVULKIHRSEICK-UHFFFAOYSA-N 438.578 5.206 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)c1 760238986 JYXCPVJZGLLIED-UHFFFAOYSA-N 449.486 5.202 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cnc(C3CCC3)s2)c1 760240625 ZEDYEFWTMJYLPR-UHFFFAOYSA-N 427.599 5.184 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1 764376436 TZFXMMDPVOLSHD-GOSISDBHSA-N 448.567 5.018 30 20 IKED CC1CCN(c2ccc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)cc2[N+](=O)[O-])CC1 770125951 XKQNRZCOTAYQIC-INIZCTEOSA-N 438.484 5.070 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)c1 772985692 WLNJYTOFIOFMLI-MGPUTAFESA-N 425.985 6.304 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CC=C(c3ccc(Cl)nc3)CC2)cc1 773834500 ANMIQKVFXROYHP-UHFFFAOYSA-N 445.975 5.828 30 20 IKED N#C[C@H](COC(=O)c1csc(-c2ccccc2)n1)Cc1cccc(Br)c1 774397159 RDGATJZNBCVICU-OAHLLOKOSA-N 427.323 5.112 30 20 IKED C[C@H](c1ccccc1)N(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)Cc1ccccc1O 776002526 FCDQSBPZMAXOEI-XXBNENTESA-N 448.526 5.193 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1SCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 777570506 OCJVOABLOKBXMT-AWEZNQCLSA-N 444.463 5.064 30 20 IKED COc1ccc(-c2n[nH]cc2CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 779596072 ROKLBUXAIIVFLX-UHFFFAOYSA-N 428.467 5.287 30 20 IKED CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N2CCC(C)(C#N)CC2)c1=S 780779635 QLHYNVOIGSDGKF-UHFFFAOYSA-N 446.020 5.077 30 20 IKED N#CCc1ccc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2C(F)(F)F)cc1 781368131 LAPYHSSUGUONJY-QHCPKHFHSA-N 438.449 5.147 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)c1 786106759 ALIZBDKROWLFAL-QGZVFWFLSA-N 438.434 5.155 30 20 IKED N#C[C@H](C(=O)Cc1cc(Cl)ccc1Br)c1nc2ccccc2n1C(F)F 790773859 PKDYJCOXPHOQAK-GFCCVEGCSA-N 438.659 5.266 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 793464325 NPNOBVAIEJQKNL-SFHVURJKSA-N 449.429 5.235 30 20 IKED C=CCn1c(-c2ccccc2C)nn(CN2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1=S 795693701 MCPRSZUBQRXIHI-SMIHKQSGSA-N 446.620 5.038 30 20 IKED N#C[C@H](C(=O)/C=C\Sc1cc(F)ccc1F)C(=O)Nc1ccc(Cl)cc1Cl 797942562 FXTBDYJGPLEJCE-FOQNGQEVSA-N 427.259 5.225 30 20 IKED Cc1nc(-c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cs1 799602030 FAQRQNJUZKXKCP-QGZVFWFLSA-N 430.316 5.387 30 20 IKED Cn1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc(C#N)c(Cl)c4)C3=O)s2)cn1 800793374 PYFPBRPZPPYYJN-REZTVBANSA-N 442.978 5.079 30 20 IKED CC[C@@H](NC(=O)[C@H](C#N)C(=O)c1ccc(-c2cccc3cccnc23)cc1)c1ccccc1 802799885 MNEFDPTXJJGZEY-JWQCQUIFSA-N 433.511 5.492 30 20 IKED CN(CCc1nc(-c2ccccc2)no1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 806200465 FAEIEQHSMFNPIQ-QHCPKHFHSA-N 437.503 5.098 30 20 IKED C=CCCC(=O)Nc1ccc(COC(=O)c2nc3ccccc3cc2Br)cc1 808743483 FKUVDURIMCCISY-UHFFFAOYSA-N 439.309 5.259 30 20 IKED Cc1cccc2cc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)sc12 808979606 KNOROXBJFLDCFU-IBGZPJMESA-N 426.497 5.963 30 20 IKED C=CCOCCSC1=N/C(=C/c2cccs2)C(=O)N1c1ccc(OC)c(Cl)c1 814715107 ZHBOFPNOVMYNQS-GHRIWEEISA-N 434.970 5.090 30 20 IKED FC(F)(F)C(F)(c1ccc(N[C@H]2COCc3cccc(Cl)c32)cc1)C(F)(F)F 864018264 AUACQMSQIUINLJ-AWEZNQCLSA-N 427.747 6.313 30 20 IKED N#CC(CCOC(=O)CCc1nnc(-c2ccsc2)o1)(c1ccccc1)c1ccccc1 914899936 NAHQSDIOKAMCSC-UHFFFAOYSA-N 443.528 5.174 30 20 IKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=S)Nc1ccccc1C#N 915998131 XQRRMLSAKJWBJQ-UHFFFAOYSA-N 437.590 5.426 30 20 IKED N#C[C@@H](C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccccc1 916622568 AIXFEGITOIPBGQ-OAQYLSRUSA-N 444.947 5.556 30 20 IKED CCCn1c(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)nc2ccccc21 917537852 BWTUDJXJNGQYQT-UHFFFAOYSA-N 427.533 5.075 30 20 IKED COc1ccc(Cl)cc1C(=O)/C=C/c1csc(N(C(C)=O)c2ccc(Cl)cc2)n1 917558993 BYUZHLJFEXIDCA-RMKNXTFCSA-N 447.343 6.039 30 20 IKED N#C[C@H](C(=O)Cn1ccc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 918490582 UDVAWTIIZLJANY-MRXNPFEDSA-N 426.328 5.948 30 20 IKED Cc1nn(C(F)F)c(C)c1CC(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 920875749 DLQVNEFJNJQXEJ-FBXSJCODSA-N 444.551 5.238 30 20 IKED Cc1ccc(Cc2sc(NC(=O)CN(CC(C)C)c3ccc(C#N)cc3)nc2C)cc1 1652788844 MZZYKIPWIGHLJT-UHFFFAOYSA-N 432.593 5.324 30 20 IKED Cc1ncc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)s1 1788867116 QFBZKOUNRXCPTH-MRXNPFEDSA-N 444.560 5.140 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccn4ccnc4c3)cc2)CCC1 1789305458 QSPLHQRBYNQQPY-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc(F)c(F)cc3F)cc2)CCC1 1790635903 HYMIKAWENQBBGF-UHFFFAOYSA-N 428.454 5.045 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)s2)[nH]n1 1819303690 MTJAGQJNAUFSMB-HOCLYGCPSA-N 432.977 5.199 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccs2)CC1 1828821902 UKOMNHOJYZXNNO-XZOQPEGZSA-N 428.642 5.069 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccc(CC)cc2)cc1 10173820 WBPWKGDHQUJOGG-UHFFFAOYSA-O 446.017 5.701 30 20 IKED Cc1cc(C)cc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)o2)c1 12479732 OWQKRGJCGBBONF-UHFFFAOYSA-N 449.580 5.489 30 20 IKED C=CCN(C(=O)c1ccccc1OC(F)F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14724122 HYTCPYTWUBUEFL-UHFFFAOYSA-N 431.420 5.153 30 20 IKED O=C(/C(=C(/S)Nc1ccccc1F)[n+]1ccc2c(c1)CCCC2)c1cc(F)ccc1F 22696132 TVVQMRIUGJWKGM-UHFFFAOYSA-O 441.498 5.321 30 20 IKED C=CCn1c(SCc2coc(-c3cccc(F)c3)n2)nc2cc(Cl)ccc2c1=O 26008279 VFTLDYBKROWLTO-UHFFFAOYSA-N 427.888 5.322 30 20 IKED Cc1ccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c(C)c1 26035477 LGFDWAASQWUOGO-LJQANCHMSA-N 444.585 5.581 30 20 IKED CCOc1ccc([C@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cc1OC 58760940 PZBRIQRGSMLBLB-KRWDZBQOSA-N 432.545 5.608 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccccc1SCc1occc1C(=O)OC 62905703 LODVRMUWZMFRAU-UHFFFAOYSA-N 446.528 5.059 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 64456073 OITUXLOJLIILSB-UHFFFAOYSA-N 440.286 5.378 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1ccccc1Sc1ccc(Br)cn1 109553008 FBMHSYFOSXBYLF-UHFFFAOYSA-N 440.322 5.128 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cc(F)cc(N3CCOCC3)c2)cc1 216421018 MEQUAPSHOGQHDP-UHFFFAOYSA-N 447.535 5.079 30 20 IKED CC(C)[C@H](c1ccccc1)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 303574811 YZUQVMKSVHNTOS-XMMPIXPASA-N 426.520 5.672 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1(c2ccccc2Cl)CCOCC1 409865128 QUGSDDQZYHCBSY-UHFFFAOYSA-N 446.934 5.999 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3ccc(OC)cc3)no2)nnc1-c1ccccc1OC 426510776 XEKBXLGNLWXACW-OAHLLOKOSA-N 449.536 5.052 30 20 IKED Cc1nc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)sc1Cc1ccc(F)cc1 428249989 WYWFPVZCAFMBSH-UHFFFAOYSA-N 445.523 5.211 30 20 IKED C=CCN(C(=O)CN(C)CC(C)(C)C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 433302402 JATHPTYCGLPNDI-UHFFFAOYSA-N 437.396 5.117 30 20 IKED C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 436357207 HDARNLPWHUGGFK-OXJNMPFZSA-N 447.457 5.060 30 20 IKED CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 437458511 JKPBDUPKSUCIGX-HSZRJFAPSA-N 449.457 5.022 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccccc2CSc2nc[nH]n2)cc1F 437492624 RGASOLHYEHRLBY-UHFFFAOYSA-N 445.479 5.152 30 20 IKED CCCc1c(NC(=O)Nc2ccc(F)cc2Br)cnn1-c1cccc(C#N)c1 439224286 PZEULUBQWUIRBX-UHFFFAOYSA-N 442.292 5.242 30 20 IKED CCCc1c(NC(=O)c2c[nH]nc2-c2ccc(Cl)s2)cnn1-c1cccc(C#N)c1 440099239 PVODLGQVSAGILR-UHFFFAOYSA-N 436.928 5.054 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)C(=O)Nc1cccc(CSC2CCCCC2)c1 440898035 CQAGNJGEOARNDP-UHFFFAOYSA-N 437.565 5.100 30 20 IKED C[C@@H]1CN(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)[C@H]1c1ccccc1 442567697 CYNJILGOSFXJIA-OUPRXKBMSA-N 443.934 5.154 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc(C#N)c(O)c1 442949908 XLDOOZZFLXATSY-UHFFFAOYSA-N 439.393 5.096 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 443919959 JKPJPVOMBNKBII-HZPDHXFCSA-N 438.528 5.773 30 20 IKED Cc1sc(NC(=O)CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(C#N)c1C 444729342 FXFSJZVADNKZQM-HNNXBMFYSA-N 449.420 5.477 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)c1C#N 445557285 KRABKIJMYHWOPT-DLBZAZTESA-N 442.466 5.227 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)cc1 463128071 PYGCRIRGIAFQBM-UPVQGACJSA-N 428.557 5.501 30 20 IKED N#C[C@@H](C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1)c1cc(C(F)(F)F)ccn1 464429820 PYDZZDRVDYHVNX-QGZVFWFLSA-N 425.341 5.538 30 20 IKED CCOc1ccc(-c2nc(CC)c(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)s2)cc1 464459872 ISBYLHOZMQSXCN-INIZCTEOSA-N 445.466 5.675 30 20 IKED CSc1cccc([C@@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)c2ccc(F)c(F)c2)c1 465653027 FXYUQSQVBMHSQC-NPMXOYFQSA-N 437.515 5.708 30 20 IKED COc1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc(-n2cccn2)c1 471525575 KCQSPLVSPTVLCX-UHFFFAOYSA-N 426.501 5.156 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 473622875 UVPHASQBVRNDAC-UPTQXZAWSA-N 447.560 5.621 30 20 IKED CC(C)OCc1cccc(CNC(=O)CNc2cccc(Oc3ccc(C#N)cc3)c2)c1 476386200 CHZCRRQUXVQVAK-UHFFFAOYSA-N 429.520 5.004 30 20 IKED C=C(C)[C@H](NC(=O)N(C)Cc1ccc(OC(F)F)c(OCC)c1)c1ccc(F)c(F)c1 477747795 WJKDBWJBCIAABV-FQEVSTJZSA-N 440.437 5.424 30 20 IKED CCC[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1nnc2ccccn12 479581097 RBRWUJWUHJABQR-FQEVSTJZSA-N 427.533 5.023 30 20 IKED C=C(C)[C@@H](NC(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl)c1ccc(F)c(F)c1 480560948 WIBCZJCGPWMOBK-HXUWFJFHSA-N 435.902 5.538 30 20 IKED CC(C)(C)n1cc(C(=O)[C@H](C#N)c2nccc3ccccc23)c(-c2ccccc2Cl)n1 483232273 SEWGTXFYLDLDGS-LJQANCHMSA-N 428.923 5.997 30 20 IKED CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 487336568 HNAJSMZLEBQLBN-IMSXRSKXSA-N 448.954 5.489 30 20 IKED CCCC[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccc(OC)cc1 492489994 ODBAXYHMNJRLDR-HSZRJFAPSA-N 439.531 5.190 30 20 IKED Cc1ccc(-n2ncc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2C(F)(F)F)cc1 498819544 JSUSDAMWAOBEGW-UHFFFAOYSA-N 431.311 5.610 30 20 IKED CC(C)c1ccc(-c2noc(CCC(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)n2)cc1 499818461 YTKFFSOXLGMJII-GOSISDBHSA-N 443.334 5.480 30 20 IKED C[C@@H](NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2s1 500984806 OKRFLGSCULOSHS-OAHLLOKOSA-N 445.504 5.078 30 20 IKED N#CCCn1ncc(C(=O)Nc2cccc(OCCc3ccccc3)c2)c1-c1ccccc1 501661322 KKJDWJCLQKDMNM-UHFFFAOYSA-N 436.515 5.338 30 20 IKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCc2nnc(-c3cc4ccccc4o3)o2)cc1 505820925 MNXRXAPPOKCAPU-LJQANCHMSA-N 428.492 5.094 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCO[C@@H](c2cccs2)C1 508466726 VTMNWLOANMQBCG-XMSQKQJNSA-N 446.576 5.397 30 20 IKED C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc([N+](=O)[O-])c1 509906476 ZNEPVBBCDOBBEB-KRWDZBQOSA-N 430.464 5.123 30 20 IKED C[C@H](NC(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1)c1ccc(C#N)cc1 510640568 KHPZBDPFHNLGOM-INIZCTEOSA-N 432.911 5.371 30 20 IKED C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)[C@H]1CCCN(C2CCC2)C1 511255111 UVSDNQOYFWVKBA-YKSBVNFPSA-N 448.586 5.062 30 20 IKED COc1ccccc1-c1cc(NC(=O)c2cc(C#N)ccc2Cl)n(-c2ccccc2)n1 511447827 UMMVZIMOXVPAJS-UHFFFAOYSA-N 428.879 5.325 30 20 IKED C=CCc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)cc(OC)c1OC 511471627 JZOHIYRGZRIQQJ-HXUWFJFHSA-N 447.579 5.383 30 20 IKED N#C[C@@H](C(=O)c1ccc(OCC(F)(F)C(F)F)nc1)c1nc2cc(Cl)ccc2s1 511700021 JPNWGXMMTLXHEQ-NSHDSACASA-N 443.809 5.114 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)c1 513474188 FACMUDGVDCTZPY-AOYPEHQESA-N 426.516 5.035 30 20 IKED Cc1noc(CSc2ccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)n1 515547118 NWXFJPIGEGJILD-HNNXBMFYSA-N 440.937 5.424 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N(CCc3ccccc3)Cc3ccncc3)cc2)ccn1 515561366 IMTUJHJKBIAROA-UHFFFAOYSA-N 449.514 5.417 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ncc(Cc3ccccc3F)s2)o1 515705568 ORPWNBULPZPDIX-UHFFFAOYSA-N 433.464 5.169 30 20 IKED CN(CCCC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 517896254 ADRWRBUPHPPULK-FQEVSTJZSA-N 441.959 5.581 30 20 IKED CCOc1ccccc1N1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 518752927 DOPMRCYYIQRGLL-UHFFFAOYSA-N 442.519 5.103 30 20 IKED C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 518870729 GRGRKTMHAKLRDT-UHOFOFEASA-N 437.471 5.173 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CNc1cc(C(=O)Nc2ccccc2)ccc1Cl 520361980 PGYTZUNOOAEAKA-UHFFFAOYSA-N 439.302 5.168 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccccc3OC[C@H]3CCCCO3)cc2)cc1 521092174 LJXFOXFUFNXNRT-XMMPIXPASA-N 442.515 5.745 30 20 IKED CCC(CC)CN(CCC#N)C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 521486746 XPKDVMFYNSSRBR-UHFFFAOYSA-N 434.515 5.698 30 20 IKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cccc(F)c1 521811099 SPSSIEKJKYAQGY-QHCPKHFHSA-N 441.466 5.134 30 20 IKED CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 522242280 DUBDVVOXUWFOPN-KPLVRAHFSA-N 437.971 5.219 30 20 IKED COc1cc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 522642303 CBIYYCJZCOPJQT-FPTDNZKUSA-N 443.887 5.251 30 20 IKED COc1cccc(NC2CCN(C(=O)Nc3cccc(C#Cc4ccccc4)c3)CC2)c1 523025566 KWGFGMIOIHRIFE-UHFFFAOYSA-N 425.532 5.203 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cc(O)nc2ccc(F)cc12 523115126 UPXGGDFBOOEJLI-UHFFFAOYSA-N 429.426 5.246 30 20 IKED COc1ccc(CCN(CC(C)(C)C)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 523787689 PZRNURJFWFFJTE-LJQANCHMSA-N 439.625 6.212 30 20 IKED COc1ccc(CCCNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 523901577 TWUASTZKMDIDJH-UHFFFAOYSA-N 431.511 5.051 30 20 IKED C=C(C)[C@H](CC(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C)OCC 533706443 RHADCWWLVZMAFS-DYVFJYSZSA-N 437.403 5.430 30 20 IKED COc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1-c1ccccn1 535109888 HIOJVNRPGXNYBN-INIZCTEOSA-N 447.466 5.649 30 20 IKED C=C[C@H](CC(=O)N1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1)c1ccccc1 536186183 XYJSQKWQONIFJK-LJQANCHMSA-N 443.522 5.714 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 541179081 IMOBYUCHAHGAOZ-UHFFFAOYSA-N 427.430 5.205 30 20 IKED COc1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)cc1OCc1ccc2ccccc2n1 542532622 RKDAJNBCVLQBPP-UHFFFAOYSA-N 443.890 5.600 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1nnc(-c2ccc(C#N)cc2)o1 551411685 UWEYPOYYUFTUSV-UHFFFAOYSA-N 440.347 5.278 30 20 IKED C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 553172682 YKWLDOQULDVLTQ-XMSQKQJNSA-N 444.535 5.022 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(C)=C(c3ccco3)C2)cc1 554876676 AIAXGHUSUKPSJQ-UHFFFAOYSA-N 429.476 5.663 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(Sc4ccc(C)c(C)c4)cc3)CC2)o1 558958694 DRYXVDDDGOASBO-UHFFFAOYSA-N 446.576 5.478 30 20 IKED N#Cc1cc(Cl)cc(Br)c1NC1CC(N2CCC(C(F)(F)F)CC2)C1 561324023 ZVBQXAJIZQCUSJ-UHFFFAOYSA-N 436.703 5.191 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@]1(C)OCCc2sccc21 565509175 IFOWQUXDTVDHCY-VWLOTQADSA-N 447.560 5.117 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCCc2c(OC(F)F)cccc21 567762260 DRFYVBNYHCZIAS-HNNXBMFYSA-N 431.508 5.074 30 20 IKED CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 568806509 ITOOACIAGGPBRI-NYHFZMIOSA-N 436.899 5.297 30 20 IKED N#Cc1ccc(N2CC[C@H](c3nc([C@@H](F)c4ccc(C(F)(F)F)cc4)no3)C2)c(F)c1 573762091 BNTPVMGWTQWJNI-KSSFIOAISA-N 434.368 5.152 30 20 IKED N#Cc1c(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)sc2c1CCCCC2 602786419 SYOPVELWIOPXSR-INIZCTEOSA-N 441.984 5.033 30 20 IKED C=CCN(C(=O)COc1cc(C)ccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603459397 XHRUJSZKWIIVAE-UHFFFAOYSA-N 443.912 5.278 30 20 IKED C[C@@H]1C[C@H]1c1ccc(CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C2CC2)o1 603692046 PQXQNXPYGBLTKJ-OPAMFIHVSA-N 428.492 5.658 30 20 IKED N#Cc1ccc(CS(=O)(=O)N[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)cc1 604042265 LOSBGJAWRIMQMP-OAQYLSRUSA-N 431.344 5.074 30 20 IKED C[C@H](CCc1ccccc1)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604129326 AIVZICXNRCAFLB-WZONZLPQSA-N 445.950 5.071 30 20 IKED N#Cc1cccc(COc2cccc(CNC[C@H]3CCN(c4ccc(F)c(F)c4)C3)c2)c1 604459834 UYYXPNNMXYDIGF-JOCHJYFZSA-N 433.502 5.032 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)c1 604929508 AJQWDUDYMSNZHR-GOSISDBHSA-N 429.888 6.104 30 20 IKED N#C[C@H](C(=O)c1ccc(NC(=O)CSc2cccs2)cc1)c1ccc2ccccc2n1 605075138 RFWFJMYQKBMEBV-IBGZPJMESA-N 443.553 5.517 30 20 IKED N#C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1ccc(OCc2ccccc2)cc1 609028647 KZQCZMVOGNSHNE-QFIPXVFZSA-N 448.906 5.075 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 609056376 KMDAZCHKOKQXOR-HNNXBMFYSA-N 428.410 5.582 30 20 IKED C[C@@H](NC(=O)CC1CCCCC1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609164448 OSWOKOBYSIMOBH-VGOFRKELSA-N 437.971 5.409 30 20 IKED COc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 609370594 HGSJFNXUGUZMDL-INIZCTEOSA-N 438.578 5.006 30 20 IKED CCCN(Cc1ccccc1Br)C(=O)Nc1ccccc1SC[C@H](C)C#N 609398243 MPFNLFBQLQQMRA-MRXNPFEDSA-N 446.414 6.145 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)cc2)c1 609432719 LLGAMSOSTURUSS-UHFFFAOYSA-N 437.286 5.486 30 20 IKED CC(C)C[C@@H](C)Oc1cc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)ccn1 609556010 RHQGFWDWAJGLLQ-QZTJIDSGSA-N 426.586 5.611 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc3ccccc3n2)cc1Cl 609639261 VVWIXWUSEQIBSU-JOCHJYFZSA-N 426.907 5.865 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H](c3ccccc3)C(F)(F)F)s2)cc1 609682107 JBPKZYJYAWNLDS-HNNXBMFYSA-N 449.483 5.127 30 20 IKED CCN(C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[C@@H](C)c1cccc(O)c1 609844664 PEUPFXQNBPOAOD-KRWDZBQOSA-N 428.492 5.131 30 20 IKED COCCN(CCC#N)C(=O)Nc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1C 610559704 XTHQXOVPOUBSHA-UHFFFAOYSA-N 437.519 5.126 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCc1ccc(-c2ccccc2)cc1 610833941 NLLWPIIFAMYGFF-IBGZPJMESA-N 443.572 5.045 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(c3ccccn3)CC2)cc1 611094678 UPDHQWZLDFTENM-UHFFFAOYSA-N 426.520 5.138 30 20 IKED C[C@H](c1ccc(F)cc1)N(C)C(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCC2 612945353 GEFABLSCENVPCK-OAHLLOKOSA-N 435.524 5.153 30 20 IKED CC(C)OCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 613346417 ITFKHKCWGQZKCQ-GOSISDBHSA-N 445.371 6.532 30 20 IKED N#C[C@@H](C(=O)c1ccc(-n2cccn2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346502 LITCZZYHOFZLTQ-KRWDZBQOSA-N 439.327 5.793 30 20 IKED N#C[C@H](C(=O)c1cccc(NC(=O)C2CC2)c1)c1nc2cc(C(F)(F)F)ccc2s1 613404513 OGKOQYKTEHNZNK-OAHLLOKOSA-N 429.423 5.154 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC[C@H]1Cc1ccc(F)cc1 615682632 GXVSHCQMKNGPQG-CPUCHLNUSA-N 440.403 5.452 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc3ccccc3n2)nnc1-c1ccc(Cl)cc1 642010249 MPLLGYPQMPIQTG-UHFFFAOYSA-N 435.940 5.064 30 20 IKED N#C[C@@H](C(=O)c1ccccc1SCc1cccs1)c1nc2ccccc2n1C(F)F 642282394 NJLBDPUWZSPKPZ-INIZCTEOSA-N 439.512 6.275 30 20 IKED C=CCN(C(=O)CN1CC[C@H](C(F)F)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 677731295 GJIXXCFIRNTFKL-ZDUSSCGKSA-N 446.350 5.223 30 20 IKED C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H]1c1ccc(COC)o1 685551051 OUVPKSAXXLUYNR-JXFKEZNVSA-N 442.947 5.338 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1c(F)cc(C(F)(F)F)cc1F 685605136 WUAIKJXOUSMSLO-BQBZGAKWSA-N 443.256 5.623 30 20 IKED N#Cc1ccccc1-c1ccc(COC(=O)CCc2nnc(-c3cc4ccccc4o3)o2)cc1 726219596 SMFLLLPWYOAYQF-UHFFFAOYSA-N 449.466 5.697 30 20 IKED Cc1ccc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(C(C)(C)C)cc2)c1 726572257 UOJLSAHUMJLEJM-UHFFFAOYSA-O 446.596 5.087 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1 726940297 CRJZMHHDBXSVFO-UHFFFAOYSA-N 429.467 6.006 30 20 IKED Cc1cc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c(C)n1-c1ccc(C#N)cc1 728264436 ILYQICXBHWAAPA-UHFFFAOYSA-N 440.572 5.595 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(CCc2ccccc2)Cc2ccncc2)cc1 730380892 ZGPJFYGYZAXCNS-NDEPHWFRSA-N 446.554 6.014 30 20 IKED COc1ccccc1/C=C(/C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1ccccc1 730420366 CMRROULLPVUZJW-UMSHPIDHSA-N 428.488 5.861 30 20 IKED Cc1csc(Nc2cccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)c2)n1 732060942 CMQQIRBDVNKIAQ-UHFFFAOYSA-N 427.489 5.506 30 20 IKED C[C@@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)Nc1ccc2ccccc2c1 732401553 HJNUTHXVTXIWGA-QGZVFWFLSA-N 437.455 5.083 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cccc(COc2cccc(F)c2)c1 734080029 HSZFTLVYRHKWCM-XMMPIXPASA-N 438.458 5.519 30 20 IKED N#Cc1ccc([C@H](OC(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)C(N)=O)cc1 734579101 MWFJWIOTTYXEIN-FQEVSTJZSA-N 441.270 5.041 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)CCCCOc3ccc(Br)cc3)[nH]c12 735788268 CIJZVUOHIQVHAB-KRWDZBQOSA-N 426.314 5.059 30 20 IKED C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 739155463 QOAKSCQPWRHNTF-NHYWBVRUSA-N 426.797 5.024 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C/C(=O)c1ccc(N2CCOC2=O)cc1 740765041 NZTWVMBOOLVLRY-VAWYXSNFSA-N 435.911 5.054 30 20 IKED O=C(/C=C\c1cc2ccccc2nc1N1CCOCC1)c1ccc(SCC(F)F)cc1 741842539 LWLBGNFUEWRYHD-YFHOEESVSA-N 440.515 5.325 30 20 IKED COc1ccc(-c2nc(/C=C\C(=O)c3cnn(-c4ccc(C#N)cc4)c3C)cs2)cc1 741852075 JAUKRPPYPVRXFN-GHXNOFRVSA-N 426.501 5.081 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1 743224165 BFULMDOASPKEEW-KRWDZBQOSA-N 434.540 5.340 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 744357891 BOHXSMCWZVMVNP-UHFFFAOYSA-N 443.381 5.109 30 20 IKED C=CCn1c(Cc2ccccc2)nn(CN2CCC(c3ccc(OC)cc3)CC2)c1=S 744437165 ISINPCWSQMEOML-UHFFFAOYSA-N 434.609 5.037 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)n1 747198155 UGKQOPRZIYJEEQ-IBGZPJMESA-N 438.936 5.406 30 20 IKED O=C(C[C@H]1SC(=Nc2cccc3c2CCCC3)NC1=O)Nc1cccc(Cl)c1Cl 748283474 GMUGXFIKDCQJBB-QGZVFWFLSA-N 448.375 5.120 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cc(NC(C)=O)c(F)cc1F)c1ccc(C(F)(F)F)cc1 750310742 FMXLFKTVWWHUJI-QGZVFWFLSA-N 441.400 5.771 30 20 IKED O=C(/C=C\c1csc(-c2ccccn2)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 750915928 JGTIMESEVGSANR-PLNGDYQASA-N 428.357 6.139 30 20 IKED CN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 752635785 HMZPQZJGTMAYJP-HHHXNRCGSA-N 438.575 5.470 30 20 IKED CN(Cc1cccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1)C(=O)OC(C)(C)C 752691742 IVCDSCPRVWUMSV-PKTZIBPZSA-N 448.567 5.357 30 20 IKED C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 760200599 KODAEKHTFWTCDW-DOMZBBRYSA-N 444.890 5.827 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1c(Cl)cccc1Oc1ccccc1Cl 760792122 ILBJWPKQHCVDTR-UHFFFAOYSA-N 431.250 6.079 30 20 IKED Cc1nc(/C=C\c2ccc3c(c2)ncn3C)sc1C(=O)/C=C\c1ccc2c(c1)ncn2C 761198589 IGLATZOEJOLRKN-SQXCDDPUSA-N 439.544 5.291 30 20 IKED C=C(Cl)COc1ccc([C@@H](C)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1 766001366 HOURTMRUFDNLLJ-RBUKOAKNSA-N 435.955 5.877 30 20 IKED Cc1sc2ncn(N=Cc3ccc(Sc4ccccn4)o3)c(=O)c2c1-c1ccccc1 766432517 LREVNKLIQIHOKC-UHFFFAOYSA-N 444.541 5.455 30 20 IKED CN1C(=O)N(c2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C(=O)[C@H]1Cc1ccccc1 771818764 OLKAZVXIZKHBOA-FYYLOGMGSA-N 429.907 5.005 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(CC(C)C)[C@H]2CCCc3cccnc32)cc1C#N 775688035 GBGFEUZXJMDQQC-NRFANRHFSA-N 435.528 5.089 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 777786670 AXCQHJXSTGCSEL-FQEVSTJZSA-N 449.551 5.031 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)O[C@@H](C)c1ccc(F)c(C(F)(F)F)c1 778052474 NMOUFGZQROBMLC-SKDRFNHKSA-N 440.359 5.628 30 20 IKED CCOC(=O)N(C)c1ccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 782563242 NDLHWTNBELVFAM-SFHVURJKSA-N 442.519 5.701 30 20 IKED Cc1ccc(N2CCNC2=O)cc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 785463566 UJGCDKBQZZZQKC-UHFFFAOYSA-N 446.894 5.094 30 20 IKED C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1c[nH]c2ccccc12 786303598 IMABSSXTMIJLOG-SUMWQHHRSA-N 427.476 5.324 30 20 IKED C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)[C@H](C#N)c1nccc2ccccc12 792103091 RKBKYFGIQSNPCG-VCFYHUQZSA-N 437.543 5.195 30 20 IKED COc1cccc(NC(=O)[C@@H](OC(=O)C[C@H](CC#N)c2ccccc2)c2ccccc2)c1 795987905 FALBOMVLIZYWHF-OFVILXPXSA-N 428.488 5.006 30 20 IKED C[C@@H](Nc1nc(Cl)c(C#N)s1)c1nc(-c2ccc(Br)cc2)cs1 804555456 KGXHVUQDODSHMB-MRVPVSSYSA-N 425.764 5.727 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 806244620 HJLUVVLWUQODKP-UHFFFAOYSA-N 448.036 5.281 30 20 IKED O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1cccnc1F 807221850 HHYKMVAAIGJWDK-LLVKDONJSA-N 434.233 5.292 30 20 IKED COc1ccc(NC(=O)c2c(NC(=O)CCCCCC#N)sc3c2CCCC3)cc1 807958013 HDLGFFAUKAKJAW-UHFFFAOYSA-N 425.554 5.300 30 20 IKED C#CCOc1ccccc1-c1noc([C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)n1 809395907 SXAYSLIPFSZIJE-GOSISDBHSA-N 442.302 5.033 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1 810370903 RETCWPJUAZOTGQ-NZSAHSFTSA-N 443.613 5.303 30 20 IKED N#C[C@@H](C(=O)CCc1nc2ccccc2o1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102990 NBLZBAKTZZJWAK-AWEZNQCLSA-N 442.327 6.067 30 20 IKED N#C[C@@H](C(=O)Cc1ccc(OC(F)F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 915104363 PAVXYHNDIWUHAA-ZDUSSCGKSA-N 426.366 5.335 30 20 IKED Fc1ccc(-c2nnc(S)n2N=Cc2sc(Oc3ccccc3)nc2Cl)cc1 915957839 XMDBRQQGIMDOGK-UHFFFAOYSA-N 431.905 5.157 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCCc1ncc(-c2ccccc2)o1 916904614 HEVOYTZJJJCCRD-NRFANRHFSA-N 429.520 5.137 30 20 IKED CSCc1c(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)oc2ccccc12 916942363 JTDBRZOFOGZJAU-HNNXBMFYSA-N 433.316 5.564 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3ccc(F)cc3)nc2C)cc1 916955798 VCMBPXVUFLPTDD-VBKZILBWSA-N 435.524 5.732 30 20 IKED CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2cccc(C#N)c2)NC(=S)N1c1ccccc1 917373870 HHMGEZCFJHWSAS-QHCPKHFHSA-N 442.519 5.046 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CSCc3cccc(Cl)c3)n2)cc1 920139264 PUUPFIFXRHMFFP-GOSISDBHSA-N 428.966 5.582 30 20 IKED Cc1ccc(N2CCCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)cc1 921117739 AXKGKDYVGTYQDS-UHFFFAOYSA-N 426.520 5.403 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2)cc1 921118544 OTBMFFCPPZJSLB-DEOSSOPVSA-N 443.503 5.269 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)ccc3F)cc2)CCC1 1785963962 VFHUXGSYZHPUAR-UHFFFAOYSA-N 432.948 5.146 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(OC)cc3)cc2)CCC1 1786329849 ASARIIBJLXJCIQ-NWVWQQAFSA-N 432.564 5.145 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3ccncc3-c3cccc(C)c3)cc2)CCC1 1788358405 FMEUGCGAQXBGRF-UHFFFAOYSA-N 425.532 5.381 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)nn3-c3ccccc3)cc2)CCC1 1788669527 ACFZUUCVKILQLG-IBGZPJMESA-N 442.563 5.141 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(OC)c3)CCC2)cc1 1789455803 DFGMXLGYQDTALT-XMMPIXPASA-N 443.547 5.083 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Cc3ccccn3)CCC2)cc1 1789458257 SGITZLQWJQPVAU-HYBUGGRVSA-N 431.580 5.163 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cnc(-c5ccccc5)s4)cc3)CCC2)C1 1789880934 RQJDPSNNJCHCBU-UHFFFAOYSA-N 443.572 5.524 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc(F)c(F)cc3F)cc2)CCC1 1790635876 FSVSWQHSIUCSLA-UHFFFAOYSA-N 438.396 5.063 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3n[nH]c4c(Cl)cccc34)cc2)CCC1 1790845802 HMZYBPOMDHPZCB-UHFFFAOYSA-N 448.954 5.158 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1 1805457632 JSVUYAQDJIZZEW-UHFFFAOYSA-N 448.529 5.319 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3cnccc23)n[nH]1 1819128400 DKGGRZLWGPEFBD-AUSIDOKSSA-N 443.551 5.032 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3cccc(Cl)c23)n[nH]1 1819224575 CMAIINSLZQZENI-IFXJQAMLSA-N 439.947 5.063 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ccncc23)n[nH]1 1821411185 ARBGYWNAGXNNJM-JOCHJYFZSA-N 445.567 5.256 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@H](C)c2ccccc2)n[nH]1 1822040675 IUBUXYBOCCFWCE-XKCSPQBFSA-N 434.584 5.364 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3sccc3[nH]2)CC1 1828711671 KGNFQEOZKJOFNB-UGKGYDQZSA-N 439.625 5.231 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccsc2)CC1 1829067831 YVNJURUEALFJNM-JOCHJYFZSA-N 430.658 5.293 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc3ccccc3o2)CC1 1830848700 KFWPLRZPAADIKR-OAQYLSRUSA-N 437.584 5.054 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)C)cc2F)CC1 1831374350 OMUKDQOSOCVZBA-YADARESESA-N 444.591 5.058 30 20 IKED C=CCn1c(SCC(=O)c2ccccc2F)nc2scc(-c3cccs3)c2c1=O 11383072 PBDQXOHTGDTKPY-UHFFFAOYSA-N 442.562 5.487 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1CC=C 20067892 KIFSVPPQUGYZBU-UHFFFAOYSA-N 436.606 5.448 30 20 IKED C=CCn1c(-c2ccco2)nn(CN2CCC[C@H](c3nc4ccccc4s3)C2)c1=S 28791330 HBKDJKLXBVGOAE-INIZCTEOSA-N 437.594 5.307 30 20 IKED COc1cc(C(=O)Nc2cccc(C#N)c2)ccc1OCc1ccc(Br)s1 33229998 GAVNBIPCMKOXEY-UHFFFAOYSA-N 443.322 5.222 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cnc4ccccc4c3C(F)(F)F)c2)c1 97297258 QFRGILDMZBHRCE-UHFFFAOYSA-N 447.416 5.957 30 20 IKED CCN(C(=O)c1cnn(-c2ccc(Br)cc2)c1C)[C@@H](C)c1ccc(C#N)cc1 105905908 XMLSSOYHXDWGBU-HNNXBMFYSA-N 437.341 5.038 30 20 IKED N#CCCCOc1cccc(C=C(C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)c1 110425281 KPXLZFDHRVFIDB-UHFFFAOYSA-N 425.488 5.030 30 20 IKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1nc(-c2ccncc2)cs1 195662546 YINUCVCJXGCNAZ-QGZVFWFLSA-N 434.908 5.323 30 20 IKED Cn1c(C(F)F)nc2cc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)ccc21 409468132 FDOBIICEJOGISD-UHFFFAOYSA-N 446.457 5.408 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)c1cc2ccccc2s1 426572079 YLKHNLRPIISIHH-MRXNPFEDSA-N 441.512 5.381 30 20 IKED COc1cccc(/C=C(\CC(=O)N(C[C@H](C)C#N)C2CC2)c2nc3ccccc3s2)c1 426973607 KZQPZYYSYABCHQ-MIQLPHMESA-N 431.561 5.386 30 20 IKED CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)[C@@H](C#N)c1nc2ccccc2o1 430533537 WFYYUIYXQKBGDX-GFCCVEGCSA-N 440.286 6.403 30 20 IKED C[C@@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 435090173 WQFBVFFAYPZKCL-QGZVFWFLSA-N 446.576 5.545 30 20 IKED C[C@H]1C(=O)CC[C@@H](C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)C1(C)C 436064039 UWBZXVDTSDVLHL-LRDDRELGSA-N 449.498 5.204 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccccc1COCc1ccccc1 437777336 PLXJWVKQQQQEBQ-AOYPEHQESA-N 425.532 5.707 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 437839365 MNLKCSLLFBYJNK-AVRWGWEMSA-N 445.494 5.792 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)N[C@H]3C[C@H](c4ccc(C(F)(F)F)cc4)C3)CC2)cc1 438027227 OTPHXLFOIGAOIQ-KESTWPANSA-N 443.469 5.076 30 20 IKED N#Cc1ccc(NC(=O)C(=O)Nc2ccc(OCC3CCCCC3)cc2)cc1C(F)(F)F 439181835 WSWBRBYARSAIFQ-UHFFFAOYSA-N 445.441 5.113 30 20 IKED N#CCC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 439300633 FOIQQPLQCDRSDN-LADGPHEKSA-N 428.923 6.162 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3cccc(CC(F)(F)F)c3)c2)cc1 439385348 KTRWQNWMTUXGDC-UHFFFAOYSA-N 439.393 5.033 30 20 IKED C[C@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)Nc1ccc(F)cc1Cl 439660552 JGZXDKXKUUWPRE-ZDUSSCGKSA-N 427.838 5.721 30 20 IKED CCCc1c(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cnn1-c1cccc(C#N)c1 440087954 LVDMJJFKUQIZEC-UHFFFAOYSA-N 449.536 5.357 30 20 IKED CCCc1c(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)F)cnn1-c1cccc(C#N)c1 440101325 SZPDERQBLSCPPN-OALUTQOASA-N 436.462 5.040 30 20 IKED N#Cc1ccc(CN(Cc2csc(-c3ccsc3)n2)c2ccc3nc(O)[nH]c3c2)cc1 440724599 AFZMMDAZVBLVGJ-UHFFFAOYSA-N 443.557 5.532 30 20 IKED N#Cc1ccc(NC(=O)c2oc3ccccc3c2CSc2ccccc2F)cc1C#N 460118093 NPMOXGOFWIYYSY-UHFFFAOYSA-N 427.460 5.860 30 20 IKED COc1cc(CN[C@H](C)c2cn(C(C)(C)C)nc2C)ccc1OCc1cccc(C#N)c1 464613734 CUNPXVSLUUUZSZ-GOSISDBHSA-N 432.568 5.257 30 20 IKED C=CCOc1ccccc1C(=O)N1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 470401555 UCILJXRYFXCDNS-GOSISDBHSA-N 434.561 5.403 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCC[C@@H]3C[C@@H]3C[C@H]4CC[C@H]3C4)ccc21 470546086 JXFNDEYGZQSOFW-QQURRQIPSA-N 434.584 5.092 30 20 IKED CSc1ccccc1CN(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 471259023 UHVNRKXPQADQDD-UHFFFAOYSA-N 431.561 5.717 30 20 IKED Cc1ccccc1C(=O)NC1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1 472600627 YTVFTOMMZNOYAO-UHFFFAOYSA-N 437.587 5.089 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 474436862 WGJUNPOBIXHHQB-OAHLLOKOSA-N 427.526 5.518 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)Cc1cc(Br)ccc1OC 475552750 RRSMTPHPFNOKEI-UHFFFAOYSA-N 431.374 5.974 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)n2)cc1 477850381 UNEJSXVDQDTTDS-OAQYLSRUSA-N 447.479 5.231 30 20 IKED CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 481621969 HGDODEPROFSPNY-MRXNPFEDSA-N 446.482 5.117 30 20 IKED CC1(C)CN(C(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)CC[C@H]1C(F)(F)F 482034230 VTLORQUIGUKUCT-CQSZACIVSA-N 437.359 5.081 30 20 IKED N#C[C@H](C(=O)c1csc(-c2cc(Br)cs2)n1)c1cnc2ccccc2n1 483189119 BKXDRWKWKNTXDU-NSHDSACASA-N 441.335 5.067 30 20 IKED CCOC(=O)c1csc([C@@H]2CCCN2Cc2cccc(OCc3cccc(C#N)c3)c2)n1 483432744 QHAKEIRUNMUCLY-QHCPKHFHSA-N 447.560 5.108 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 483685644 PAMYTFXPBJMRMP-NRFANRHFSA-N 445.485 5.888 30 20 IKED Cc1nn(-c2ccccc2)c2nc(C(=O)N(CCC#N)C34CC5CC(CC(C5)C3)C4)ccc12 486581356 ATTYSEGOGAWFNY-UHFFFAOYSA-N 439.563 5.054 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Oc4cccc(F)c4F)nc3)cc2)nc1 487135985 JGCDCFPDKAFKCU-UHFFFAOYSA-N 444.397 5.463 30 20 IKED CC(C)c1ccc(-n2cnnc2SCC(=O)N[C@H](CCCC#N)c2ccccc2)cc1 487252457 QUUTYCCPHQGHRK-JOCHJYFZSA-N 433.581 5.034 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC3(CC2)OCCc2ccsc23)cc1 487266036 IRLHOYMZTBJGNI-UHFFFAOYSA-N 446.597 5.475 30 20 IKED C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 487500239 JINFZQQEJLVXBC-OTPAQWSUSA-N 447.579 5.020 30 20 IKED N#C[C@H](NC(=O)c1cnc(-c2ccsc2)s1)c1ccc(OCc2ccccc2)cc1 487718481 WDUZKYAHVLBOFS-FQEVSTJZSA-N 431.542 5.445 30 20 IKED CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1 490155604 QVXGBGMJKGMJOX-UHFFFAOYSA-N 447.922 5.782 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)NCC3CCC(C#N)CC3)s2)c(C(F)(F)F)c1 496340688 HDLQPGULEKIXMC-UHFFFAOYSA-N 447.486 5.076 30 20 IKED CCCc1nc(C(=O)N(Cc2ccco2)c2ccccc2C#N)nn1-c1ccccc1Cl 499379274 UIAOAFYRXNDOBO-UHFFFAOYSA-N 445.910 5.185 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)c1ccccc1-c1ccccc1C#N)O[C@@H](C)C2 502345003 WVTNXFNKKRKAFV-DQXHVOOISA-N 438.527 5.233 30 20 IKED CC(C)(C)c1noc(-c2ccccc2C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)n1 505321462 VAMUKSSJAWZODP-MRXNPFEDSA-N 429.307 5.336 30 20 IKED N#C[C@@H](C(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1nc2cc(Cl)ccc2s1 505440356 PDCRSKQLCXCAFG-NSHDSACASA-N 431.876 5.841 30 20 IKED CC(C)c1c(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cnn1-c1ccccc1Cl 506647796 IGORXRRVZYGLPT-UHFFFAOYSA-N 433.821 5.187 30 20 IKED N#Cc1ccc(N2CCC(c3nc(-c4cccnc4Oc4ccccc4)no3)CC2)c(F)c1 508055448 VNMWSOMKAJVMEA-UHFFFAOYSA-N 441.466 5.319 30 20 IKED CN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510040808 BKKHRJMAGALPIA-IBGZPJMESA-N 425.866 5.938 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 511372231 HNJAXNQEKGLCNO-QHCPKHFHSA-N 447.535 5.829 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 511563816 CSKNEICXRNENEP-GOSISDBHSA-N 425.382 5.125 30 20 IKED Cc1ccc(-n2nnc(CC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)c2C)cc1 512869076 MWIIFAJONZGHOQ-UHFFFAOYSA-N 437.503 5.038 30 20 IKED Cc1ccc(-n2ncc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)c2C2CC2)cc1Cl 513654356 LDQWEVQCYUAANT-MRXNPFEDSA-N 432.936 5.811 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(-c3csnn3)cc2)cc1 513867032 ZUKAOZJKBZFBNC-UHFFFAOYSA-N 443.507 5.450 30 20 IKED N#Cc1ccccc1CSCCNC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 515120844 ZPZMDCUZDOWILC-UHFFFAOYSA-N 445.548 5.257 30 20 IKED N#Cc1ccc(CNc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)c(C(F)(F)F)c1 515479599 XKOHKCISVGVKLV-UHFFFAOYSA-N 427.348 5.031 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1 515795120 DTUZYOFDYFSONT-UHFFFAOYSA-N 431.511 5.251 30 20 IKED N#C[C@H](NC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1cccc(Cl)c1Cl 517493288 ABRPBJMDSXIDBX-AWEZNQCLSA-N 428.300 5.858 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cnc(Sc2nccn2C)c(Cl)c1 518740397 ZWYOCSLPFJNYDT-CYBMUJFWSA-N 443.985 5.266 30 20 IKED COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 518755616 LDCKOOBRGPJXBC-NVXWUHKLSA-N 444.988 5.143 30 20 IKED CC(C)[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1cccc(C(F)(F)F)c1 518820685 RZBXZQDHQZBAEK-HSZRJFAPSA-N 445.485 5.246 30 20 IKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cccs1 521807532 OZIULWCYFYKVDS-NRFANRHFSA-N 433.533 5.254 30 20 IKED CC(C)Oc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c(C(F)(F)F)c1 521929854 VJGWRAXOSDQSTG-UHFFFAOYSA-N 441.409 5.804 30 20 IKED CN(C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)[C@@H](c1cccc(F)c1)c1cnn(C)c1 523153856 FRGLWRRKLMINST-VWLOTQADSA-N 439.494 5.036 30 20 IKED C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 524129137 GNDLJBKZNNGDJT-SFHVURJKSA-N 429.495 5.622 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc4c(c3)CCO4)cc2Cl)c1 524438991 BBOHCCKGMLXYHX-UHFFFAOYSA-N 433.895 5.047 30 20 IKED Cc1ccccc1[C@@H]1CN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CCO1 525615326 QASOFHGWYJWPLH-DEOSSOPVSA-N 432.907 5.526 30 20 IKED Cc1ccc(Br)cc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 525631691 WLWIAXDSYMWEMD-UHFFFAOYSA-N 445.367 5.025 30 20 IKED Cc1ccc(C#N)cc1NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 530603560 DWXAFLFDSOOOIF-WIYYLYMNSA-N 430.474 5.090 30 20 IKED O=C(NCc1cnn(CC(F)(F)F)c1)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 531672354 DSSIVEACEPRVIV-UHFFFAOYSA-N 445.338 5.200 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)cc1 534978718 LIKJBDQDPWQXBS-UHFFFAOYSA-N 439.475 5.027 30 20 IKED C=CCC[C@@H](N[C@@H](C)c1ccc(NS(C)(=O)=O)cc1)c1ccc(C(F)(F)F)cc1 536839036 KPITWFPDFBTMPE-MGPUTAFESA-N 426.504 5.435 30 20 IKED CCCCCn1c(SCCCC2(C#N)CCOCC2)nc2cc(Cl)ccc2c1=O 538410793 OXHSJIKDKFOWSC-UHFFFAOYSA-N 434.005 5.433 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)c1ccc(C(F)(F)F)cn1 540081155 NGPCDHMROVCNNC-LBPRGKRZSA-N 425.197 5.083 30 20 IKED CC(C)COc1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1Cl 541198983 IHHGGQVPMMRCPM-QGZVFWFLSA-N 436.924 5.255 30 20 IKED N#C[C@H](C(=O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1)c1nc2ccccc2o1 542130180 WTILTCUEFNTOQL-MRXNPFEDSA-N 435.266 5.856 30 20 IKED C[C@H](O)C[C@@H](CNC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccccc1 543006977 INYDMZAHGZWGDB-UNVFRBQDSA-N 427.548 5.140 30 20 IKED C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)Nc1cc(F)ccc1OCC(F)(F)F 543065919 AYQKMIJUZDVSLN-NSHDSACASA-N 438.343 5.615 30 20 IKED COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2Cc2nnc(-c3ccc(C#N)cc3)o2)c1 543190110 NGUAZYNRZQUBPZ-RSXGOPAZSA-N 436.515 5.348 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)oc2c(Br)cccc12 543879208 TZKXYLYISIAEEE-GFCCVEGCSA-N 444.235 5.739 30 20 IKED C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 546091513 WPEXFGBMFYLMOH-GOSISDBHSA-N 446.934 5.833 30 20 IKED Cc1ccc(-c2cc(C(=O)N3CCc4ccc(C#N)cc43)c3cnn(C(C)C)c3n2)s1 550154849 SUVXSCFWXVGSDI-UHFFFAOYSA-N 427.533 5.124 30 20 IKED N#Cc1cnc2c(F)c(F)c(F)cc2c1Nc1ccc(OCc2noc(C3CC3)n2)cc1 553079191 CCXLILALELIRRN-UHFFFAOYSA-N 437.381 5.107 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(C#N)(c3ccccn3)CC2)cc1 554558345 NWYFBRVAEKRAGO-UHFFFAOYSA-N 433.559 5.300 30 20 IKED C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](CC(F)(F)F)C1 555253873 UBLMJXMDZAZNIE-GFCCVEGCSA-N 447.274 5.202 30 20 IKED O=C(NCc1nccc(C(F)F)n1)Nc1cc(C(F)(F)F)ccc1SCC(F)F 562202159 BPUSHHNZOCEWDE-UHFFFAOYSA-N 442.360 5.112 30 20 IKED C=C(C)COc1cccc(NC(=O)NCc2cccc(-c3nc(CC(F)(F)F)no3)c2)c1 564363668 PPQISECXZDFNMX-UHFFFAOYSA-N 446.429 5.118 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3ccccc3SCc3cscn3)cc2)ccn1 577113181 KQASWUCENSIPQU-UHFFFAOYSA-N 444.541 5.747 30 20 IKED N#Cc1ccc(-c2nnc(N3CCC[C@H]3c3ccc(O)cc3)n2CCc2ccccc2)cc1 589642390 BKHRQCJTCADPTN-VWLOTQADSA-N 435.531 5.107 30 20 IKED N#Cc1c(NC(=O)CCN(Cc2cccs2)Cc2cccs2)sc2c1CCC2 589920951 HYVSUJGVIKGFPF-UHFFFAOYSA-N 427.620 5.262 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590327988 CBMPUTNMYQJAQF-RKDXNWHRSA-N 426.254 5.439 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 599510509 MNEKNCVJZTVOKD-STQMWFEESA-N 437.311 5.650 30 20 IKED Cc1c(C(=O)NCCSCc2ccccc2C#N)sc2nc(C(F)(F)F)ccc12 603557464 MESHHAHDSHDULG-UHFFFAOYSA-N 435.496 5.158 30 20 IKED CCCCOc1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1OC 603601143 RKATYPTZYCFEMI-UHFFFAOYSA-N 431.492 5.494 30 20 IKED COc1cccc([C@H](CNc2nc3c(cc2C#N)CCC3)c2c[nH]c3ccccc23)c1OC 603837361 LLUBBOIWSUPHIA-QFIPXVFZSA-N 438.531 5.184 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 604172592 APRQRDXIYHELDP-QHCPKHFHSA-N 435.911 5.228 30 20 IKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F 607258595 LBRDFRRTZCVMAO-UHFFFAOYSA-N 448.919 5.209 30 20 IKED Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)c12 609103977 LWQHZWIFZBWFAR-UHFFFAOYSA-N 444.466 5.497 30 20 IKED CC(C)Sc1ccc(Cl)cc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 609459707 NNSYNNUCZJKGBV-UHFFFAOYSA-N 429.973 5.506 30 20 IKED CN(CCCC(=O)OC(C)(C)C)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 609731382 KVCJBOAQCSBEHT-UHFFFAOYSA-N 428.916 5.198 30 20 IKED COc1ccc(CN[C@@H](C)c2ccccc2-c2ccc(Cl)cc2)cc1OCCCC#N 610089336 NOVXTHPQIGALBH-IBGZPJMESA-N 434.967 6.549 30 20 IKED C[C@H](Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N)c1ncc(-c2ccccc2)o1 610150910 JUJMULVSEWSQHA-HNNXBMFYSA-N 441.516 5.296 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)CSc1ccc(C#N)cc1 610154549 DBSLTROATIIZKC-UHFFFAOYSA-N 430.508 5.290 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)c(C(F)(F)F)c1 610386642 GUVKGGVUWASFEY-ZIAGYGMSSA-N 449.498 5.284 30 20 IKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)N[C@@H](C)c1cccc(C#N)c1)CC2 610406469 BAVRVQSMBLBSLW-UPCLLVRISA-N 447.560 5.055 30 20 IKED O=C(c1ccc(COc2ccc(F)cc2)o1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618297179 DDXYKBJWDTYQNK-VXGBXAGGSA-N 439.327 5.201 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1c(CC)cccc1CC 642252604 ICMLNQKGQRUIEH-GOSISDBHSA-N 434.609 5.299 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)nnc1-c1ccc(F)cc1 645084461 ASIJHZHMCCHXLM-AWEZNQCLSA-N 439.491 5.621 30 20 IKED O=C(Nc1ccc(F)cc1OCC(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 678664975 BCJQZAVQJVHRCX-RKDXNWHRSA-N 438.290 5.064 30 20 IKED Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 679239459 ZRHWJRKQXOZMKU-LBPRGKRZSA-N 429.448 5.636 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC(c2noc3cc(F)ccc23)CC1 685529904 TWCMJLGZYABCKU-UHFFFAOYSA-N 440.478 5.173 30 20 IKED COc1cc(C=NOCc2nnc(-c3c(Cl)cccc3Cl)o2)cc(Cl)c1OC 726594130 GISOCEUUPDXVOT-UHFFFAOYSA-N 442.686 5.265 30 20 IKED N#C[C@@H]1C(CN2CCC[C@@H]2c2ccccc2C(F)(F)F)=CC(=O)n2c1nc1ccccc12 728061729 YXPNJQSOJCFPIO-YLJYHZDGSA-N 436.437 5.080 30 20 IKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3sc(N4CCCC4)nc3Cl)c2C#N)C1 728163724 ZYPXBJXZLVIPDL-GFCCVEGCSA-N 449.045 5.733 30 20 IKED Cn1c([C@H](C#N)C(=O)Cc2cccc(OCc3ccccc3Cl)c2)nc2ccccc21 730071206 MZOINEPGMQCAIS-HXUWFJFHSA-N 429.907 5.225 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2cc(Cl)ccc2[nH]1 731069586 ITOLSPXIJVQJHS-ZDUSSCGKSA-N 427.913 5.011 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(Br)cc2F)cc1 732416857 CLGBKSFBCAWHFK-HXUWFJFHSA-N 438.300 5.565 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)ccc1OC 733615187 AYIFAIMSFGTJTM-QFIPXVFZSA-N 443.507 6.113 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(OC(C)C)cc2C(F)(F)F)c1 733800618 CDXZBRIWEXQJKD-GOSISDBHSA-N 449.473 5.173 30 20 IKED C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1cccc(COc2ccccc2C#N)c1 734103591 VKDOXHLGCVEGIP-XMERXJNXSA-N 426.516 5.128 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCc3sccc3[C@H]2c2cccs2)c1 734278718 YNSAHSGQNMWKMG-JTSKRJEESA-N 437.590 5.348 30 20 IKED C[C@H](OC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nnc(-c2ccccc2)o1 734592033 BNEABHHKOCNUFF-KRWDZBQOSA-N 425.444 5.105 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccccc2)C2CCOCC2)cc1 734645048 ZSBXZUDAUZVQKP-CLJLJLNGSA-N 425.532 5.631 30 20 IKED CN(C)CCOc1ccc(N(C)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 735012396 SJHDANSZHLAILC-UHFFFAOYSA-N 449.938 5.221 30 20 IKED CCO[C@H](C)c1nc(COC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cs1 736829933 WZSZEBMXSFDEFV-CQSZACIVSA-N 442.924 5.915 30 20 IKED CCc1ccc(CN2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)s1 738897522 WABHQZCZSGVVRQ-VWLOTQADSA-N 444.604 5.316 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)o1 742577007 DJLRVSMPDLCCTI-UHFFFAOYSA-N 433.464 5.221 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1 743028774 UVHRVBAXRLYTSI-ZDUSSCGKSA-N 430.961 5.606 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2c(O)ccc3c2CCCC3)cc1 743113860 GUKYRGUOINHQPR-UHFFFAOYSA-N 441.531 5.238 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(F)c(Br)c2)cc1 743253671 RSAUDXSSLYITRC-GOSISDBHSA-N 445.313 5.044 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 743469350 SCRVFDVALUWFFV-OAQYLSRUSA-N 438.531 5.193 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)[C@H](C)c1ccccc1C(F)(F)F 744029325 QWSIISPHSZGXET-OCCSQVGLSA-N 438.833 5.127 30 20 IKED N#C[C@H](C(=O)NC1CCCCC1)C(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 745948006 SEYDRNDJMHMTQW-SFHVURJKSA-N 431.319 5.557 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)n1 747193026 CKVYBOQZOTUVPP-ZWKOTPCHSA-N 427.570 5.489 30 20 IKED N#Cc1csc(/C=C(\Cl)c2nc(O)c3c(-c4ccccc4Cl)csc3n2)c1 748440411 KLYTYBYKHSEELQ-UUASQNMZSA-N 430.341 6.387 30 20 IKED COc1ccc([C@H](C)CC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 750683474 FBYZYKAECCTDEZ-GCJKJVERSA-N 428.488 5.329 30 20 IKED C#CCN(C(=O)N[C@H](C)CCCC(F)(F)F)[C@@H]1CCOc2ccc(Br)cc21 755298613 QRPJDDXNJPXZIB-CZUORRHYSA-N 447.295 5.039 30 20 IKED N#Cc1cccc(OCc2nc(-c3ccccc3-c3ccc(Cn4cccn4)cc3)no2)c1 761534447 RUXIXKZWNTXDNI-UHFFFAOYSA-N 433.471 5.099 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1cc(Oc2ccccc2)ccn1 764750480 HWWDKLVUBAXLEM-UHFFFAOYSA-N 429.263 5.202 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2csc(C(C)C)n2)cs1)c1ccc(F)cc1F 771745459 UDKBLYZHUJAVFA-ALCCZGGFSA-N 433.505 5.582 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)OCC(=O)Nc2ccccc2SCC#N)c1 772119398 DGMCSAQMLASDHY-UHFFFAOYSA-N 446.528 5.163 30 20 IKED N#CC1(c2ccc(C(=O)OCC(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)cc2)CC1 777172674 VWSXLYCAJAOUGG-HXUWFJFHSA-N 443.330 5.069 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 777877326 XKXVSWNALZIHGX-CQSZACIVSA-N 427.426 5.310 30 20 IKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccccc3)nc3ccc(C)cc23)c1 780305184 FVMUXANRDPIMPH-QHCPKHFHSA-N 435.483 5.180 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)Nc1ccc2ccccc2c1 782803802 YGLOPTVFHMFNAZ-UHFFFAOYSA-N 443.450 5.442 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1 791582407 AXRLENHHQWYISV-OAHLLOKOSA-N 426.542 5.004 30 20 IKED N#C[C@@H](C(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)c1cnc2ccccc2n1 792107940 HZCNSUMCXIMPMF-NNVROAHOSA-N 427.866 5.839 30 20 IKED N#C[C@@H](C(=O)[C@H](Sc1ccc(F)c(Cl)c1)c1ccccc1)c1cnc2ccccc2n1 792108627 NCZJDCGEBDCKAM-MZNJEOGPSA-N 447.922 6.132 30 20 IKED C[C@H](Oc1ccc2ccccc2c1)C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 796628623 LDIZQGFLPNDRTR-LIRRHRJNSA-N 443.528 5.073 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc(F)c(Br)c(Cl)c1 796751687 CNNDICFCHBVCLH-GFCCVEGCSA-N 433.664 5.237 30 20 IKED N#C[C@@H](C(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1)c1cc(C(F)(F)F)ccn1 813213734 LRRLDPCVRMWUJL-MRXNPFEDSA-N 426.360 5.807 30 20 IKED Cc1c(C(=O)N2CCO[C@H](c3ccccc3Br)C2)sc2ccc(C#N)cc12 814108006 ZBDRKNCCMFJANS-SFHVURJKSA-N 441.350 5.058 30 20 IKED COc1ccc(-c2nnc(S)n2N=Cc2sc3ccccc3c2Cl)c(OC)c1 814770289 XUTKTLPUTSYZTO-UHFFFAOYSA-N 430.942 5.001 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccs2)cc1 837839216 ROTNAMKPMPSBAV-HXUWFJFHSA-N 435.574 5.217 30 20 IKED N#Cc1cccc(OCC(=O)Nc2sc3c(c2-c2nc4ccccc4[nH]2)CCCC3)c1 916096228 XHQJSOOVCWSGIT-UHFFFAOYSA-N 428.517 5.059 30 20 IKED Cc1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c(Br)c1 917044788 VIPZROUGIZNKMC-QWHCGFSZSA-N 448.267 5.146 30 20 IKED N#C[C@H](C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1)c1nc(-c2ccncc2)cs1 920267415 IMRYEGWCXHYNHK-LZCIBIBXSA-N 447.972 6.477 30 20 IKED N#C[C@H](COC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)Cc1ccc(F)cc1 920876885 RIRIKSWQBYIZNJ-CJFMBICVSA-N 427.479 5.059 30 20 IKED C[C@@H](CC#N)N(C)c1nnc(CC(C)(C)C)n1Cc1ccccc1NC(=O)OC(C)(C)C 1723778700 IBILMJUUAZTGLL-KRWDZBQOSA-N 440.592 5.000 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)C[C@@H]4C[C@@H]5CC[C@H]4C5)CCC3)cc2)c1 1790258855 QZEUKBFDLVCCTC-CBQOVEMMSA-N 427.548 5.132 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)C[C@@H](C)Oc3ccccc3)CCC2)cc1 1791730640 ONWCEZXSOVYZEE-OAQYLSRUSA-N 432.564 5.172 30 20 IKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(F)cc(Cl)cc1Cl 1800573291 BNRSPNXVSMTMDN-BJWYYQGGSA-N 439.358 5.153 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)n[nH]1 1822021039 XJTBEQZXCUYWCM-XODKDNOYSA-N 426.605 5.221 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C3CC3)cc2)CC1 1830748692 CSBKQQIUELHRMA-UIOOFZCWSA-N 434.624 5.566 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccsc3[nH]2)CC1 1830882859 KNVOIVCPXKHVHD-QFIPXVFZSA-N 439.625 5.231 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccccc1 9447730 ICRSSASEPRTHDR-IBGZPJMESA-N 440.572 5.917 30 20 IKED COc1ccccc1N/C(S)=C(/C(=O)c1ccc(C(C)(C)C)cc1)[n+]1cccc(O)c1 10118237 HTVJRCTVXDYDCR-UHFFFAOYSA-O 435.569 5.037 30 20 IKED Cc1cc2occ(CC(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)c2cc1C 14621386 NIJOMLRWYLTOGR-UHFFFAOYSA-N 434.546 5.246 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)CCc1ncc(-c2ccccc2Cl)o1 21439537 LUFDJVFRFAMQRT-UHFFFAOYSA-N 431.275 5.457 30 20 IKED C[C@@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccc(C(F)(F)F)cc1 30114477 PXYBHQQRGJPWGK-LLVKDONJSA-N 445.338 5.540 30 20 IKED C=CCn1c(SCc2csc(-c3cccc(OC)c3)n2)nc2sccc2c1=O 36725267 PUXIYZLGXIOWDO-UHFFFAOYSA-N 427.576 5.068 30 20 IKED Cc1cc(F)ccc1NC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 63639087 UZOPGHFQXSXJPC-UHFFFAOYSA-N 425.300 5.269 30 20 IKED CCc1cc(C#N)c(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)s1 64811601 GCZXUHVMRBVIGN-UHFFFAOYSA-N 430.508 5.355 30 20 IKED C=CCn1c(SCc2nnc(-c3c(Cl)cccc3Cl)o2)nnc1-c1ccncc1 409997869 YPGDAWVNCCQFHG-UHFFFAOYSA-N 445.335 5.175 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N[C@@H](c1cc(F)ccc1F)C(F)F 433618344 RWFZOUACWDXZQZ-GJZGRUSLSA-N 426.307 5.403 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@H](CC(F)(F)F)C3)cc2Cl)c1 434159851 OITIPUKIAKNFFR-MRXNPFEDSA-N 437.849 5.597 30 20 IKED C[C@H]1CN(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c2ccccc21 434417450 VBUKCFNNYRLJRZ-KKSFZXQISA-N 429.907 5.084 30 20 IKED CCN(C(=O)c1sc(-c2ccc(OCC(C)C)c(C#N)c2)nc1C)c1cccnc1C 439238225 WOLAXVHJHYGEQV-UHFFFAOYSA-N 434.565 5.395 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Nc1ccc(Oc2ccc(Cl)cn2)cc1 439638233 IJNZALRIEZRYHA-INIZCTEOSA-N 427.957 5.604 30 20 IKED Cc1cncc(N(Cc2ccc(F)cc2)C(=O)CSc2nc(C)c(C)c(C)c2C#N)c1 441420114 FNCAJYFWFDVLBE-UHFFFAOYSA-N 434.540 5.047 30 20 IKED CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2cn(CCCC#N)c3ccccc23)c1 444270105 RAWHVLROUICMJK-UHFFFAOYSA-N 436.943 5.331 30 20 IKED COc1ccc(CC(C)(C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 446229491 UIWYEPIKAKDHSV-UHFFFAOYSA-N 443.547 5.483 30 20 IKED Cc1nc(NC(=O)[C@H](C)c2cccc(C#N)c2)sc1-c1nc2ccccc2n1C(F)F 461770984 CCSBTXZZWRYOOJ-GFCCVEGCSA-N 437.475 5.477 30 20 IKED C[C@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1cccc(C#N)c1 461916685 NYLOLRCDFKDOLS-ZDUSSCGKSA-N 440.450 5.238 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3[C@H](C(F)(F)F)[C@H]4CC[C@H]3O4)cc2Cl)cc1 467931328 WTPOLMDUUVKUQS-AKHDSKFASA-N 436.817 5.298 30 20 IKED Cc1ccc2[nH]cc(CCC(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c2c1 469079577 QKKWSGBMLYXWKS-UHFFFAOYSA-N 431.483 6.072 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCC[C@H](c4ccccc4)CC3)ccc21 470551800 CUDHBGQPTLERNG-NRFANRHFSA-N 430.552 5.071 30 20 IKED C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 473634658 XFFOXESHNOYVGF-INZIPBBXSA-N 433.533 5.313 30 20 IKED N#CC[C@@H](CC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1)c1ccccc1 475776020 CDUMUKYMKNAJMO-AZGAKELHSA-N 437.543 5.690 30 20 IKED C=CCOc1ccccc1CNC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 476180988 ZOKNIPJIYNXYCK-SFHVURJKSA-N 447.510 5.203 30 20 IKED CC(C)c1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)CCC2 476553170 SDWHEXRAQWVOEY-UTKZUKDTSA-N 435.593 5.194 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)Nc1cc(C)ccc1C 481348273 MDZWCXNGSWXSMG-IBGZPJMESA-N 436.581 5.088 30 20 IKED C=CCn1c(SCC(=O)Nc2sc(C)c(C)c2C)nnc1-c1cccc(Cl)c1 481370130 JNPFQYVCEFFFES-UHFFFAOYSA-N 433.002 5.502 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)NCCOc2ccc(C#N)cc2)nc1-c1ccccc1 481691985 GYLIYYGFVFCEFH-QFIPXVFZSA-N 444.535 5.262 30 20 IKED COCCN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)c1ccc(OC)c(OC)c1 481854904 CPPYFMCNNXHGLB-UHFFFAOYSA-N 448.544 5.020 30 20 IKED Cc1cc(-c2cc(C(=O)[C@@H](C#N)c3nccc4ccccc34)c3cnn(C(C)C)c3n2)c(C)o1 483208662 ZCJLVTGZIATUFW-QFIPXVFZSA-N 449.514 5.927 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@H](c1ccccc1)C(F)(F)F 484282407 RSNAINHWYTUZLW-JOCHJYFZSA-N 438.449 6.120 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc4cc(Cl)sc4[nH]3)s2)cc1 485865974 XBYHGUUTFMMAJH-UHFFFAOYSA-N 431.955 5.151 30 20 IKED C[C@H](N=c1c(C#N)c[nH]c2ccc(OC(F)F)cc12)c1nc2ccccc2n1C(F)F 486441052 YDZBXNNFEFZODH-NSHDSACASA-N 429.377 5.048 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(N)c3c(C)c(C)sc3n2)nnc1-c1ccccc1C 488909839 CIDKXYMAXKMMBB-HNNXBMFYSA-N 436.610 5.497 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(COc3ccc(F)cc3)o2)cc1 489122471 NROWCHMPXZQQLF-UHFFFAOYSA-N 432.373 5.074 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCCCC(=O)c1ccccc1 498486675 HYCJSJXBLXXQIY-UHFFFAOYSA-N 428.507 5.982 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NC2(Cc3ccc(F)cc3)CCOCC2)cc1 499182366 WFKRFWVJGRKBDT-UHFFFAOYSA-N 448.469 5.150 30 20 IKED CC(=O)Nc1cc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1C 502315773 HYHWTEVHLOYEGH-NRFANRHFSA-N 432.911 5.906 30 20 IKED Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)n1 503225759 NIKASMLVZUALMU-HNNXBMFYSA-N 436.562 5.003 30 20 IKED CC[C@@H](C)n1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nnc1-c1ccccc1 504292070 WYRYVDDZCPGJMG-GOSISDBHSA-N 443.576 5.759 30 20 IKED CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)N(CCC#N)Cc1ccccn1 506989044 KNAQRLMVLYKAQT-UHFFFAOYSA-N 448.548 5.243 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](c2ccc(Cl)cc2)C1 508834366 UCYQKKRVNSGGPX-PMVMPFDFSA-N 434.971 5.357 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 510022395 CWBDXYRARZKQBI-NOZRDPDXSA-N 445.950 6.373 30 20 IKED CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510060115 XFMYEUHBCRPDOJ-HXUWFJFHSA-N 434.883 5.568 30 20 IKED N#CCCN(C(=O)CCc1nc([C@@H](F)c2ccc(C(F)(F)F)cc2)no1)c1ccccc1 512043541 ZNBCZQVXHMRFPE-FQEVSTJZSA-N 446.404 5.027 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1Cl 513046654 MUNBITDPZOEJRB-GJZUVCINSA-N 447.966 5.283 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CC[C@@H](C(F)(F)F)C4(CCC4)C3)c2)cc1 513521319 XYNHEGRGELCBID-OAQYLSRUSA-N 428.454 5.332 30 20 IKED CCC[C@@H](CCCS(C)(=O)=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 516536553 BLVQNVXFYSZZNL-GHTZIAJQSA-N 447.000 5.175 30 20 IKED CN(Cc1cccc2ccccc12)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 516732974 ASVPTCZLORGQGZ-UHFFFAOYSA-N 435.483 5.101 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)c12 516781237 GVAWQQWTITUTOU-UHFFFAOYSA-N 428.492 5.358 30 20 IKED CC1CCC(OC2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)CC1 517460670 PGSXVZLITCEWEQ-UHFFFAOYSA-N 434.605 5.909 30 20 IKED CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 519874513 YEARXBQPACGNIT-IBGZPJMESA-N 428.488 5.278 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)N[C@@H](c1ccccc1)C(F)(F)F 522430288 QVDNNRQHSSKKCO-HNNXBMFYSA-N 438.343 5.529 30 20 IKED Cc1csc(Sc2ccc(NC(=O)CCc3c(C)nn(CCC#N)c3C)c(C)c2)n1 523008849 XZXMMPBJFCRHGJ-UHFFFAOYSA-N 439.610 5.209 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c2)cc1 523797420 ZWJBORHGDQMBFS-HXUWFJFHSA-N 442.425 5.372 30 20 IKED C[C@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(OCc2cccnc2)cc1 525229131 NROWRFFZIMCPNS-HNNXBMFYSA-N 440.425 5.434 30 20 IKED Cn1ccc2c(NC(=O)C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cccc21 527375744 LLGJRNOFDQPXSD-FQEVSTJZSA-N 442.906 5.064 30 20 IKED CC(=O)N(c1nc(CN(CC(C)C)c2ccc(C#N)cc2)cs1)c1cccc(C)c1C 534471981 GOVOXTIARGDCSW-UHFFFAOYSA-N 432.593 5.979 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1ccc(F)cc1)C1CCCC1 537108287 MCFNBNXGBASSTJ-OSPHWJPCSA-N 425.573 5.680 30 20 IKED N#Cc1cccc(-c2nnc(CN[C@@H](c3ccc(Cl)c(C(F)(F)F)c3)C3CC3)o2)c1 538322496 WLFKTBXNPAKREX-LJQANCHMSA-N 432.833 5.521 30 20 IKED N#CC1(CCCNc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)CCOCC1 540809428 DJMKOYWMTIHKBF-UHFFFAOYSA-N 449.448 5.609 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1c(F)cc(F)cc1Br 542220498 CLXQGKYNZZODHF-LLVKDONJSA-N 441.297 5.139 30 20 IKED Cc1nc(CC(C)C)c(NC(=O)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1 543923525 SGYKPVJEGAVZGY-MRXNPFEDSA-N 446.576 5.005 30 20 IKED Cc1c(C(=O)Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)sc2ccc(C#N)cc12 550138912 VHVZWOXZMBKZJM-UHFFFAOYSA-N 446.919 5.634 30 20 IKED N#CCC[C@H](NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccccc1 560090930 PVOORGBYHQGLDX-FCHUYYIVSA-N 445.485 5.517 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCn4c(cc5cc(Cl)ccc54)C3)cc2)ccn1 570440035 YFJAXYYMAMOJID-UHFFFAOYSA-N 443.894 5.401 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@H](c3ccccc3C)C[C@@H]2C)cc1C 572887031 HYNTUPFYDVHEAJ-JTHBVZDNSA-N 426.564 5.407 30 20 IKED CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1cn(CCCC#N)c2ccccc12 573154375 XODKRKFSRQDEKM-UHFFFAOYSA-N 429.442 5.158 30 20 IKED N#Cc1ccc(N2CC[C@@H](c3nc(C4(c5cccc(C(F)(F)F)c5)CC4)no3)C2)c(F)c1 574961731 QMWHZGNMUHAQTR-OAHLLOKOSA-N 442.416 5.173 30 20 IKED N#C[C@H](C(=O)c1cnc(Cc2ccc(F)cc2)s1)c1nc2ccccc2n1C(F)F 589244814 IRRWMZYQAICINV-CQSZACIVSA-N 426.423 5.108 30 20 IKED C[C@@H]1CN(CC(=O)Nc2sc3c(c2C#N)C=C(/C=C\c2ccccn2)CC3(C)C)[C@@H]1C 590196572 XUXZODXCUOAJDP-MGSINWNPSA-N 432.593 5.072 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)c1nc2cc(F)ccc2s1 592973411 FSVORNITNUMFGA-HNNXBMFYSA-N 445.454 5.041 30 20 IKED N#Cc1cccc(COc2cccc(/C=C(/CC(=O)O)c3nc4ccccc4s3)c2)c1 603748375 NFADPXWNJWXFCZ-NDENLUEZSA-N 426.497 5.762 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 603968969 PXJFMSWEEGIDKL-UHFFFAOYSA-N 435.455 5.791 30 20 IKED Cc1ccnc2sc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c(C)c12 604003806 XPLNTOBVOYPSJL-UHFFFAOYSA-N 427.529 5.811 30 20 IKED CCN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@H](C)c1ccc(F)cc1 604464349 RXAGYDMVJOVXKF-QGZVFWFLSA-N 431.467 5.038 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 604476875 NTTZQIJMOZDMOJ-UHFFFAOYSA-N 446.359 5.277 30 20 IKED CC[C@H](c1ccccc1)c1nnc(SCC(=O)N(CCC#N)c2cccc(Cl)c2)o1 609018608 HLFNQYIDYNRRBP-LJQANCHMSA-N 440.956 5.304 30 20 IKED Cc1ccc(N2CCC(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)nc1 609061183 UQBXKNZAKWXAII-UHFFFAOYSA-N 440.547 5.004 30 20 IKED CSc1ccc(Cl)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 609107323 ZKGZAJXXWZDAIO-UHFFFAOYSA-N 426.900 5.904 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCCO[C@H](c3ccccc3)C2)cc1 609252357 JYIHQXDZNQPKPN-SANMLTNESA-N 441.531 5.327 30 20 IKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)Nc1ccccc1SC[C@@H](C)C#N 609376836 KEYPQIALAUXYJJ-ZDUSSCGKSA-N 442.382 5.672 30 20 IKED COc1ccccc1[C@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccccc1 609398791 SDEUBRXEYFWVTO-MHECFPHRSA-N 431.561 5.858 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 609431770 NOFJDXFOPXXWMT-MRXNPFEDSA-N 439.968 5.723 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 609439019 SJFKGTGYPOZCOE-IAGOWNOFSA-N 428.989 5.382 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(-c4n[nH]c(C5CC5)n4)cc3)cc2)cc1 609503761 MIUAKQPRWKJDTK-UHFFFAOYSA-N 435.487 5.460 30 20 IKED COc1cc(CN(C)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc(OC)c1 609723261 YNECHWPCDTVANA-UHFFFAOYSA-N 436.895 5.293 30 20 IKED Cc1ccc(C)n1C1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 609730633 AGFFFFOMYXMGIT-UHFFFAOYSA-N 433.939 5.900 30 20 IKED COc1cc(CSCC(=O)Nc2c(C)cccc2C)ccc1OCc1cccc(C#N)c1 609741239 XAGQOYMHLBOPAD-UHFFFAOYSA-N 446.572 5.635 30 20 IKED CC(C)(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 610040451 SENNEGSRGQSYFQ-OAQYLSRUSA-N 433.895 5.820 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc2ncccc2c1 610194278 OUBYENSOHTXQJJ-UHFFFAOYSA-N 437.468 5.060 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3c(F)cc(Br)cc3F)cn2)c1 610665724 OXKOQDHGINHAME-UHFFFAOYSA-N 430.208 5.039 30 20 IKED COc1ccc(-n2c(SCc3ccnc(C#N)c3)nnc2-c2ccccc2Cl)cc1 610956955 FDXNBVHAQFQUNK-UHFFFAOYSA-N 433.924 5.155 30 20 IKED COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1 611308615 QWFKZVGAPJSIRH-KRWDZBQOSA-N 440.927 5.055 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H](C[C@@H]4CCOC4)C3)c2)cc1 611357225 LMYZCAPOMMJGTK-GGAORHGYSA-N 433.552 5.002 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)nnc1-c1ccncc1 613365213 PCXXTWXBRWMZAD-ROUUACIJSA-N 443.576 5.037 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3nc(-c4ccccc4F)cs3)cn2)cc1 618746988 HTLNIRHVKRIWFB-UHFFFAOYSA-N 445.479 5.330 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 618766165 GXUMMWMECJGOIO-IAGOWNOFSA-N 427.348 5.167 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2OC)C(C)C)nnc1-c1cccc(C)c1 639426925 IWAKHYHFHCGJBO-NRFANRHFSA-N 436.581 5.204 30 20 IKED C=C[C@@H](CC(=O)NC1CCC(NC(=O)C[C@H](C=C)c2ccccc2)CC1)c1ccccc1 677586477 NTDZOAYAKBZVFY-FPMFRTRJSA-N 430.592 5.250 30 20 IKED O=C(N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2ccc(F)cc2F)CCCC1 677660766 YIRYQCVZXSXHKJ-VXGBXAGGSA-N 429.351 5.366 30 20 IKED COc1ccc2nc(C)c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)cc2c1 727996191 GSIXVCHNWPWKFQ-UHFFFAOYSA-N 437.499 5.563 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@H](C)C(=O)N(CCC#N)c1ccccc1 728062924 RFLNVBXFSHAKRZ-OAQYLSRUSA-N 438.531 5.193 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N(CCc2ccccc2)C2CC2)cc1 728737259 UTRDLIHVPTYCLK-UHFFFAOYSA-N 425.532 5.571 30 20 IKED C#CCNC(=O)C1CCN(C(=O)Nc2ccccc2-c2ccc(-c3ccccc3)cc2)CC1 730668996 RPGNUMGRQAFSHZ-UHFFFAOYSA-N 437.543 5.014 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C(c1ccccc1)c1ccccc1 731062339 IXWHOVKZZHVXOK-IBGZPJMESA-N 444.556 5.395 30 20 IKED Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1ccn(C(C)C)n1 733091946 BZZKMAWOTXQYMF-OAQYLSRUSA-N 449.536 5.299 30 20 IKED N#CCOc1ccc(Cl)cc1CSc1nc2ccccc2c(=O)n1C1CCCC1 735230862 KTBVNXSOHZYSLI-UHFFFAOYSA-N 425.941 5.360 30 20 IKED C#Cc1cccc(NC(=S)NC[C@@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 735417843 JNYSJMBJBBVXLW-GHTZIAJQSA-N 431.527 5.056 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)Nc1snc(Cl)c1C#N 739897224 CABSXKXJDDZYSN-VIFPVBQESA-N 439.791 6.036 30 20 IKED Cn1cc(/C=C\C(=O)c2cccc(-c3ccncc3)c2)c(-c2ccc3c(c2)OCCCO3)n1 741471928 CZMSBMYCNTZBFK-VURMDHGXSA-N 437.499 5.207 30 20 IKED CC(C)n1ccc(CC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)n1 742784849 KDVIOOUQHNFRFQ-UHFFFAOYSA-N 428.414 5.328 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1NC(=O)OC(C)(C)C 744015729 BSUWGHBKFZVSCZ-SFHVURJKSA-N 431.492 5.337 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 746166966 KMHKXLBVUHBDPN-XLIONFOSSA-N 439.581 5.675 30 20 IKED CCOC(=O)Nc1ccc(N[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1C#N 752797687 SFXHRWNVBVFDHG-QFIPXVFZSA-N 432.455 5.058 30 20 IKED FC(F)(F)CC(=NNc1ccc(C(F)(F)F)nn1)c1ccc(Br)cc1 754711338 WPWRLRJFHOGROK-UHFFFAOYSA-N 427.146 5.027 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(C3CC=CC3)C2=O)c1 759694260 NILZOLLUNNKRBY-OAQYLSRUSA-N 437.540 5.121 30 20 IKED C=CCn1c(-c2ccccc2C)nn(CN(C)[C@@H]2CCCc3nc(C)sc32)c1=S 764991478 SDJPKSGULGIILI-LJQANCHMSA-N 425.627 5.307 30 20 IKED CCn1nc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)c2ccccc21 769776154 GAJSDSXBQDAEOQ-UHFFFAOYSA-N 447.951 5.339 30 20 IKED N#C[C@@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)c1nc(-c2ccccc2)cs1 769943757 ADOBMFJDYSNBMG-KFXAOSDLSA-N 432.854 6.286 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cnc(CC(C)C)s1 772836844 HQJHFXHIJQVMAI-UHFFFAOYSA-N 442.997 5.624 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CC=C(c3ccc(Cl)nc3)CC2)cc1F 774055757 ZTTFBZIXSLQFNR-UHFFFAOYSA-N 448.885 5.859 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)cc1 774320844 MMVSEZCUYVUOAA-JTHBVZDNSA-N 431.561 5.084 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 778095587 WMGUNOCRMDPVFG-QGZVFWFLSA-N 431.540 5.157 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](c3c(F)cccc3Cl)N(C)C)n2)cc1 778606393 MTDQMVDLWRIKHP-MGPUTAFESA-N 427.932 5.390 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1sc2cc(Br)ccc2c1Cl 780176315 KJBOZKGKNLREKW-SNVBAGLBSA-N 435.730 5.860 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(F)c(F)c2)n1 780305828 NWBXQPYGFBTYSG-INIZCTEOSA-N 439.487 5.174 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21 780680218 DYDDQGWIPIFBHC-CXAGYDPISA-N 446.370 5.441 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3c4ccccc4Oc4ccccc43)n2)cc1 781786955 UPSFNSOFOZQEGV-FQEVSTJZSA-N 433.492 5.796 30 20 IKED Cc1oc(-c2ccccc2)nc1C(=O)[C@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 787043473 BEJJIEXINYCGFI-PXAZEXFGSA-N 442.302 5.157 30 20 IKED C#C[C@H](OC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)c1ccc(Cl)cc1F 788153630 NVYCYXNQRMDCSH-SFHVURJKSA-N 445.899 5.080 30 20 IKED C=CCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1C#N 790278132 BSJSREJSEXNXMW-JOCHJYFZSA-N 446.576 5.102 30 20 IKED CCc1c(NC(=O)NCc2cccc(O[C@H](C#N)CC)c2)cnn1-c1cccc(Cl)c1 792488745 SEFOIXWLTGSOGU-IBGZPJMESA-N 437.931 5.091 30 20 IKED N#CCCn1cc(C(=O)COC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)c2ccccc21 801897296 GADHIXAAXOYMLL-FQEVSTJZSA-N 432.373 5.010 30 20 IKED CC(C)(C)OC(=O)N1CCC(c2cnc(NC(=O)c3cc(C#N)ccc3Cl)s2)CC1 804817784 HRENLIIXZQLMHK-UHFFFAOYSA-N 446.960 5.035 30 20 IKED Cc1cc(=O)cc(C)n1CCCC(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 810535071 BSZABKVNGGAIGE-GAPPKZSKSA-N 449.620 5.046 30 20 IKED O=[N+]([O-])c1ccc(-c2ccc(C=NNc3ncnc4sccc34)o2)c(Br)c1 916369371 CLNPLCXZOYZNOC-UHFFFAOYSA-N 444.270 5.068 30 20 IKED C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl 916913355 WPQYXEYRVXWEEQ-ZYHUDNBSSA-N 427.740 5.475 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 916913698 RJJLDCWEBMALDB-MRXNPFEDSA-N 428.332 5.248 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(NC(=O)C(C)(C)C)cc2C)cc1 916914391 KWQRZNZOHUWSRJ-GOSISDBHSA-N 439.581 5.345 30 20 IKED C/C=C\c1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(OC)c1 916977320 PYORZVMFSVNVLT-DDKKJVIOSA-N 438.936 5.760 30 20 IKED CSc1nc(C)c(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C)n1 916977733 XTDDVTAJDGQUDK-KRWDZBQOSA-N 442.997 5.401 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@H]2Cc2cccc(F)c2)c1=S 917474857 RHRAYMBLYVOTRB-FQEVSTJZSA-N 438.572 5.079 30 20 IKED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)c1 918486379 AZTKBEYHDFEHQY-OAHLLOKOSA-N 445.327 5.692 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 920102420 CXCVKRBWVXNNBS-CZUORRHYSA-N 436.924 5.369 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3ccc4ccccc4c3)n2)cc1 920142320 UYVWMCJDNIEUQM-NRFANRHFSA-N 425.538 5.804 30 20 IKED CN(C)c1ccc(CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C2CC2)cc1 921117995 IYROFKCMWUGIBJ-UHFFFAOYSA-N 426.520 5.613 30 20 IKED CC[C@H](C(=O)Nc1ccc(C2(NC(=O)[C@H](C)ON=C(C)C)CCC2)cc1)c1ccccc1 1787644000 IINSPBWNERYCKE-CVDCTZTESA-N 435.568 5.115 30 20 IKED C/C(=C\c1ccc(C)o1)C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CCC1 1790290240 NKSKJEADJLAKED-FBMGVBCBSA-N 439.515 5.311 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc4sccc4[nH]3)CC2)C1 1804862214 MFDOINBQVQAOTA-UHFFFAOYSA-N 427.614 5.067 30 20 IKED CC[C@H](C)[C@H](C(=O)N1CCC2(CCCN(C(=O)[C@@H](S)C(C)C)C2)CC1)c1ccccc1 1806060761 NQRXZDAXWZUWJZ-PMVMPFDFSA-N 444.685 5.002 30 20 IKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1826692490 PQMFMTCNVNHMLI-VWLOTQADSA-N 447.554 5.030 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(Cl)c2)CC1 1832031360 MYCFXAAQCMUQGN-QHCPKHFHSA-N 429.004 5.075 30 20 IKED C=CC[C@H](C)C(=O)N1CC2(CCCN2C(=O)C2CCC(c3ccc(Cl)cc3)CC2)C1 1841409312 DVAFOSZQCGQWDV-JSOIOWGOSA-N 429.004 5.029 30 20 IKED COc1cccc(/C=C2\C[C@H](C)Cc3c2nc2ccccc2c3C(=O)O[C@H](C)C#N)c1OC 8952654 OACSSRBKENZVHH-XSIYCUCZSA-N 442.515 5.444 30 20 IKED N#Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)cc1 8989039 JEFRRAPPPGRMJW-UHFFFAOYSA-N 437.956 5.316 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2cccc(C)c2)cc1 10167495 WMKQHCRVOYFSBT-UHFFFAOYSA-O 431.625 6.409 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCc1nnc(-c2ccc(Cl)cc2)o1 20831284 QHCLQZVVCKZRBS-UHFFFAOYSA-N 439.928 5.039 30 20 IKED COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N 24284243 LEJIEPPFNXGTLL-JTQLQIEISA-N 429.851 5.062 30 20 IKED N#Cc1ccc(CCC(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 25349705 NEVFFHRGOIJYHR-JOCHJYFZSA-N 427.935 5.574 30 20 IKED CSc1nc(C2CC2)cc(C(=O)OCc2ncc(-c3cccc(Cl)c3)o2)c1C#N 26984649 WLBAGXHWBAKCNV-UHFFFAOYSA-N 425.897 5.218 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1/C(O)=N/c1nc(CN2CCC[C@@H](C)C2)cs1 30556026 RWYZCRHUNAZENJ-CQSZACIVSA-N 444.601 5.506 30 20 IKED Cc1c(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)sc2cccc(F)c12 33196319 FSFAJUUZLGYDJS-NXEZZACHSA-N 427.385 5.988 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2occc2COc2ccccc2)cc1Cl 46861619 RKPDXNVZADXXFW-HSZRJFAPSA-N 442.902 6.420 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Cc1csc(-c2cccc(Br)c2)n1 72001214 XBBFLYUOPCQPQS-UHFFFAOYSA-N 445.357 5.469 30 20 IKED CCn1ncc2c(C(=O)Nc3sc4c(c3C#N)CCCC4)cc(-c3ccccc3)nc21 105442209 UQBBPZGIPWJELJ-UHFFFAOYSA-N 427.533 5.182 30 20 IKED N#CCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1)c1ccccc1 215738837 DEUIWYGEHQCVEV-UHFFFAOYSA-N 443.510 5.317 30 20 IKED COc1ccc(Br)cc1-c1nc(CSc2nnc(C)c(C)c2C#N)cs1 218941039 QBZVWARQSLEVOX-UHFFFAOYSA-N 447.383 5.152 30 20 IKED N#CCCSc1ccccc1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 303265796 GEIIJGJNAGIAFJ-UHFFFAOYSA-N 443.450 6.151 30 20 IKED C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1nc(-c2ccccc2)cs1 410293275 VPXVJQAXQONKKH-MRXNPFEDSA-N 429.501 5.345 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)c12 430604748 QXPULIAMUBKJMN-MRXNPFEDSA-N 435.597 5.616 30 20 IKED CCN([C@H](c1ccc(C(C)C)cc1)c1cccnc1)S(=O)(=O)Cc1cccc(C#N)c1 431907577 RBNCMMDQOMOOIU-RUZDIDTESA-N 433.577 5.018 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H]3C[C@H](c4ccc(F)cc4)C3)c2)c1 432912435 BLTIRGJDNXPOIC-UILWBTOOSA-N 428.467 5.017 30 20 IKED CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 437458512 JKPBDUPKSUCIGX-QHCPKHFHSA-N 449.457 5.022 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 437847711 SSXCDGWPHABCCL-WOJBJXKFSA-N 439.441 5.195 30 20 IKED C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1 440261664 YTDWUMGSWZJOFV-CYBMUJFWSA-N 429.929 5.151 30 20 IKED C=CCC[C@H](NC(=O)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2)c1ccc(C(F)(F)F)cc1 440832064 LGZQSIIZNAXUMS-KSSFIOAISA-N 447.457 5.104 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1cccc(OC(F)F)c1)c1ccc(C(F)(F)F)cc1 442029712 KAXSDAWMOOFTAS-QGZVFWFLSA-N 442.384 5.069 30 20 IKED CC(C)Oc1ccc(Br)cc1NC(=O)c1cn(CCCC#N)c2ccccc12 444335196 FSGSLINEDOEUKZ-UHFFFAOYSA-N 440.341 5.747 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N(Cc3ccc(F)cc3)CC(F)(F)F)cc2)nc1 460456840 JDSIBQQGILSHKS-UHFFFAOYSA-N 429.373 5.089 30 20 IKED CN(Cc1nccn1Cc1ccccc1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 464285500 VPEBYRKYDRAQFY-UHFFFAOYSA-N 440.478 5.007 30 20 IKED Cc1nc([C@H](NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c2ccccc2F)no1 464990745 ZNITYZKWNLRKCY-HSZRJFAPSA-N 442.450 5.009 30 20 IKED Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 466091732 KABNEIBAUGNYOD-QRQCRPRQSA-N 435.959 5.099 30 20 IKED COc1cccc(F)c1[C@H](C)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 466122706 LYZZDAQMTBBDCH-KRWDZBQOSA-N 435.474 5.318 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)c3nc[nH]n3)cc2Cl)cc1 467151344 WNNFKCNVFNAOHQ-OAQYLSRUSA-N 444.882 5.033 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 467528770 XIKKXLWYEFXINL-OAHLLOKOSA-N 442.587 5.085 30 20 IKED C=CCOCC(=O)Nc1ccc([C@H]2CC[C@H](N(C)C(=O)c3ccc(Cl)cc3)CC2)cc1 468297468 JZOCUHMUHGHFDP-UILWBTOOSA-N 440.971 5.280 30 20 IKED Cc1nnc(-c2ccc(C(=O)N(Cc3ccccc3)c3cc(Cl)ccc3C#N)cc2)o1 468719314 YGBKQLIZALCDDG-UHFFFAOYSA-N 428.879 5.417 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 470641040 HTMQAVCEZIFXBZ-QGZVFWFLSA-N 441.622 5.240 30 20 IKED COc1cc(F)c(C(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1OC 474276698 XIKFCXATMQBNRI-AWEZNQCLSA-N 439.327 5.285 30 20 IKED N#Cc1cc(Cl)ccc1CSc1nnc(CN2CCCCC2)n1Cc1ccccc1 479220930 UMUANDOOVBTLLD-UHFFFAOYSA-N 438.000 5.130 30 20 IKED CCCN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@H]1CCCc2cccnc21 479715589 AIPPTHUHJYPWDR-NRFANRHFSA-N 431.565 5.322 30 20 IKED C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 480604007 UDWRJPQMEPGLMK-KDOFPFPSSA-N 435.421 5.471 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nn1-c1ccc(Cl)cc1 480942620 PQDCCNRMSDONLR-LJQANCHMSA-N 443.919 5.319 30 20 IKED C=CCn1c(SCC(=O)Nc2c(C)cccc2C(C)C)nnc1-c1cccc(OC)c1 481387546 BPQDFIPIHRJZMI-UHFFFAOYSA-N 436.581 5.302 30 20 IKED CCc1c(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cnn1C(CC)CC 482678323 BSTOKMAEYYXXGL-UHFFFAOYSA-N 432.572 5.453 30 20 IKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCc3nnc(-c4ccsc4)o3)c2C#N)C1 483164954 FVYBWPYRIUGKPN-AWEZNQCLSA-N 440.594 5.454 30 20 IKED C[C@@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)C[C@@H](CC#N)c1ccccc1 483772455 GLXHHBGSJLELGT-ZJSXRUAMSA-N 437.543 5.433 30 20 IKED CN(C(=O)c1cccc(OCc2ccccc2C#N)c1)c1cccc(OC(F)(F)F)c1 485538920 UZAFBDHLVMEBOC-UHFFFAOYSA-N 426.394 5.312 30 20 IKED Cc1ccc(-n2cnc3c2CCN(C(=O)Nc2cccc(Oc4ccc(C#N)cc4)c2)C3)cc1 486952219 AHPXCWUUXJWNCX-UHFFFAOYSA-N 449.514 5.435 30 20 IKED C=CCN(CCc1ccco1)C(=O)Nc1ccc(Br)cc1Br 491299531 ZYZSCHHMMQAFGR-UHFFFAOYSA-N 428.124 5.067 30 20 IKED Fc1ccc(-c2noc(CN[C@@H](c3ccccc3OC(F)F)C(F)(F)F)n2)cc1F 491356935 SZTLSGKHUGRXHN-HNNXBMFYSA-N 435.299 5.009 30 20 IKED CC1(C)CC(/C=C/c2ccccn2)=Cc2c1sc(NC(=O)CN1CCC=C(F)C1)c2C#N 492810202 RUCFYGZBTFGJHV-CMDGGOBGSA-N 448.567 5.290 30 20 IKED C[C@@H](CCCC(F)(F)F)NC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 494806883 FVSSUAMKGWTYCS-GWCFXTLKSA-N 438.334 6.119 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3cc(Cl)ccc3OC[C@@H]3CCCO3)CC2)cc1 503630174 RUVAJEYIRGDUNK-NRFANRHFSA-N 437.927 5.091 30 20 IKED N#CCCN(Cc1cccnc1)Cc1ccc(OCc2ccccc2)c(Br)c1 505853456 NGDHPUSHMFJHRN-UHFFFAOYSA-N 436.353 5.339 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NCC1CCC(C#N)CC1 508345218 GJQWIYUYBDLVKO-UHFFFAOYSA-N 436.581 5.085 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCO[C@@H](c2ccsc2)C1 508843305 CAMNDUMDCMPXQW-FDDCHVKYSA-N 446.576 5.397 30 20 IKED CCN(C[C@H](C)C#N)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 509981717 IPQRTLMQZOQRMB-UWCCDQBKSA-N 434.521 5.143 30 20 IKED CC(C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 510369575 PJBSYRABJLWEMX-DXIQSLLYSA-N 437.971 5.265 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(NC(=O)C(C)C)cc1 510379904 WCFAXPYWOUYOPF-UHFFFAOYSA-N 442.519 5.575 30 20 IKED CCOc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 510675088 OEBFZSDMDNTFAP-DEOSSOPVSA-N 427.504 6.118 30 20 IKED COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 512311683 COZFDPARXJAREZ-QFIPXVFZSA-N 440.543 5.789 30 20 IKED C=CCN(C(=O)Cc1ccc(C(F)(F)F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514853365 CQHJDLZWVVRKDD-UHFFFAOYSA-N 447.438 5.499 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc2ccccc2c1 517437907 MXWHFRQOLCKNOK-UHFFFAOYSA-N 436.480 5.665 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(Oc2cccc(F)c2)nc1 518164413 ATFPAHOMAGLKDK-INIZCTEOSA-N 436.512 5.586 30 20 IKED CCc1ccc(-c2csc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)n2)s1 518726278 JMWMMEKCXQKDJZ-UHFFFAOYSA-N 438.578 5.100 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 519911479 GWGCDDAXRASMOU-LBPRGKRZSA-N 445.363 5.743 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccccc3C(F)(F)F)c2)cc1 519918416 QOIMFUYYIJYLIB-UHFFFAOYSA-N 439.437 5.672 30 20 IKED N#Cc1c(NC(=O)Cc2csc(Cc3ccc(F)cc3)n2)sc2c1CCCCC2 519957057 OMVWTOQYQQWLOJ-UHFFFAOYSA-N 425.554 5.256 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(Cc4ccc(F)cc4)n3)cc2)cc1 519991315 BOSIIOAWGNXAPF-UHFFFAOYSA-N 443.503 5.718 30 20 IKED C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 520005601 KVKJCZZODGMOOY-INIZCTEOSA-N 433.895 5.162 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 520144566 NWIBFWJTDVDNAX-SANMLTNESA-N 443.522 5.388 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1F 520801461 ATIMZHALJIAHCR-UHFFFAOYSA-N 438.855 5.304 30 20 IKED Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3S[C@H](C)CC#N)C2)c1 520924497 ZDGLYVCUTGJOLB-WOJBJXKFSA-N 435.593 5.189 30 20 IKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 520938811 CYMAKRYVEIWYEU-MRXNPFEDSA-N 428.517 6.185 30 20 IKED CCO[C@@H](c1noc(Cc2cc(F)c(F)cc2F)n1)c1ccc(F)cc1C(F)(F)F 521941336 LGLDMASJPLZBHI-QGZVFWFLSA-N 434.311 5.362 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F 522540101 UFUPOIJJSGQRBO-OLZOCXBDSA-N 426.410 5.732 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)c1 523977739 HEZDUIHLLFURFQ-UHFFFAOYSA-N 426.259 5.009 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 524831580 AKIXKOSVPPEOPX-NVXWUHKLSA-N 428.533 5.312 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 525562273 YHNZUHQEBQJNAR-UHFFFAOYSA-N 447.922 6.241 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC=C(c2c[nH]c3cc(F)ccc23)CC1 532661630 KOVWHIXKRFDOIQ-KRWDZBQOSA-N 448.567 5.287 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@@H]1c1cc2ccccc2[nH]1 533520538 DKVYIJUYWWITPF-FDDCHVKYSA-N 432.593 5.728 30 20 IKED CC(C)(C)c1nn(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c(O)c1CCC#N 534632653 IRRWYBFNRCCDDF-GOSISDBHSA-N 449.382 5.013 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccncc2)nc2ccccc12)c1nc2ccccc2n1C(F)F 536204087 NISYHCSXJBFGJQ-GOSISDBHSA-N 439.425 5.532 30 20 IKED CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 536735394 XJKPWOJEXPCDQR-CJAUYULYSA-N 447.510 5.368 30 20 IKED C[C@H](NC(=O)NCc1ccc(-c2ccccc2C#N)cc1)c1nc(C2CCCCC2)no1 536963838 SZGZPSIHLIBOQP-KRWDZBQOSA-N 429.524 5.216 30 20 IKED CC[C@H](NC(=O)c1cc(OC(F)F)cc(OC(F)F)c1)c1nc(C(F)(F)F)cs1 537201094 QSWQIDXLQRBZGN-JTQLQIEISA-N 446.344 5.246 30 20 IKED O=C(Nc1ccc(F)cc1OCC(F)F)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 540272070 RYJZEJYGHPKBNK-UHFFFAOYSA-N 447.310 5.066 30 20 IKED C[C@H](N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 541076927 HYJCNCMGBMZLSO-IRXDYDNUSA-N 440.572 5.325 30 20 IKED CNC(=O)c1cc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1Cl 542946828 ZIHSFTFJGCQDKC-HNNXBMFYSA-N 432.911 5.121 30 20 IKED Cc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 543852263 MMSZMENELWFXTN-GOSISDBHSA-N 426.520 5.118 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccn(C)n1 547283158 ZRCLVYVKHBEGEZ-BTYIYWSLSA-N 439.972 5.236 30 20 IKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@H]1OCCc2sccc21 554205664 RAYFJPAVYWEDMC-QMHKHESXSA-N 434.586 5.344 30 20 IKED Cc1c([C@@H](C)N[C@H](CCCC#N)c2ccccc2)nnn1-c1cccc(Br)c1 559863974 MECKAIZIFBMCDS-IIBYNOLFSA-N 438.373 5.424 30 20 IKED CC(C)(C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1cc(F)cc(C#N)c1 560624473 SBYYJOXTOGOCHY-UHFFFAOYSA-N 448.369 5.063 30 20 IKED Cc1noc([C@H]2CCCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1 568311099 RIJWTCYOYGVBOW-TZIWHRDSSA-N 435.915 5.446 30 20 IKED C[C@H](Nc1ccccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccccc1 577305095 OHSYQYQPMZSYDQ-NRFANRHFSA-N 440.547 5.525 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(-n4ccc(C(F)(F)F)n4)cc3)cc2)nc1 581400982 MKGAGVXZQWVVBY-UHFFFAOYSA-N 449.392 5.202 30 20 IKED C=C(C)CN(CC)C(=O)[C@@H](C)S[C@H](C)c1nc(O)c2c(-c3ccco3)csc2n1 600037461 UQSGJLNLZDTVMB-ZIAGYGMSSA-N 431.583 5.264 30 20 IKED COc1cc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)cc(OC)c1OCc1ccccc1 603529783 IRBBTFBMSZPCKT-UHFFFAOYSA-N 444.531 5.457 30 20 IKED O=C(CSCc1coc(-c2ccccc2)n1)Nc1cccc(C#Cc2ccccn2)c1 603754187 LWUOUESXTWGAGB-UHFFFAOYSA-N 425.513 5.008 30 20 IKED C[C@H](NC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1)c1ccc(C#N)cc1 603755381 QPNZIVGLWWHRMI-HNNXBMFYSA-N 448.320 5.064 30 20 IKED Cc1ccc(-n2nc(C)c(CC(=O)Nc3cccc(OCCCC#N)c3)c2C)cc1Cl 603972363 VRCZJWGINNSMLS-UHFFFAOYSA-N 436.943 5.315 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1cccnc1Oc1cccc(C)c1C 604004481 YWBJGQMXNVGZPY-UHFFFAOYSA-N 431.492 5.169 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OCc2cccc(F)c2)cc1 608918766 QUNVXFZQEQEGKU-UHFFFAOYSA-N 431.511 5.397 30 20 IKED CC(C)CN(C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1ccc(C#N)cc1 609116094 AKSYLIXJWVSNCC-UHFFFAOYSA-N 429.442 5.007 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)c2)cc1 609202412 HHCCXTNXJQWMKX-UHFFFAOYSA-N 437.286 5.486 30 20 IKED N#C[C@@H](NC(=O)CCc1ccc(Br)cc1F)c1cccc(Cl)c1Cl 609414672 FIMIYFFRMOBEFR-OAHLLOKOSA-N 430.104 5.209 30 20 IKED COc1cc2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)[nH]c2cc1OC 609820613 HQLGDNHRTPCTES-UHFFFAOYSA-N 427.460 5.410 30 20 IKED COC[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1cccc(C(F)(F)F)c1 609826025 JVKOTYIMXPPHCR-XMMPIXPASA-N 440.465 5.633 30 20 IKED Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 610321287 OWUDYCCCPGCJQF-OFVILXPXSA-N 442.519 5.343 30 20 IKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccccc1 610335103 UCXWEZDLBDNABS-QHCPKHFHSA-N 441.466 5.134 30 20 IKED COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)NCc1ccc(C#N)cc1F 610402414 MCSHYYFSXKEXDJ-IBGZPJMESA-N 431.511 5.049 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC(CCC(=O)OC)CC1)c1ccc(C(F)(F)F)cc1 611005672 ZWEILZVZEQNVJO-LJQANCHMSA-N 426.479 5.088 30 20 IKED N#Cc1cc(Cl)c(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)c(Cl)c1 611094503 MWKFAQNMGQQKIG-UHFFFAOYSA-N 436.770 5.160 30 20 IKED C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1 618878735 YDMLKBMIBCDZRM-BXKMTCNYSA-N 441.556 5.154 30 20 IKED CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H](C)c1cccc(C#N)c1 619529138 JBBZETDJOVSAGW-CYBMUJFWSA-N 428.319 6.134 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2o1 642281447 IMCBQRYDHHFGRC-CQSZACIVSA-N 427.407 5.769 30 20 IKED N#C[C@H](C(=O)c1ccc(Cn2cccn2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 642282108 LTGNBIFFCOVPKO-MRXNPFEDSA-N 426.423 5.050 30 20 IKED O=C(Nc1ccccc1OC(F)(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642468126 WQLAUKDSNCZRJB-MYJAWHEDSA-N 438.290 5.616 30 20 IKED C=CCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 669818293 NYHHWFOITTUSEP-PMPSAXMXSA-N 432.412 5.183 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccccc1CCC(F)(F)F 677514351 BZMDYRDGGMNTQN-RYUDHWBXSA-N 435.330 5.821 30 20 IKED O=C(Nc1ccc(Oc2ccccc2F)nc1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 683804018 FSJYZOLSHVRCAU-RYUDHWBXSA-N 437.315 5.218 30 20 IKED C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H]1c1ccc(O)cc1 685543813 LMCPKOKNANSZCQ-IBGZPJMESA-N 443.320 5.080 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)NCCCN(C)c1ccccc1 726485092 JSDDMEDIJFUCNU-UHFFFAOYSA-N 446.595 5.413 30 20 IKED Cc1cc(C(=O)Nc2ccccc2OCc2cscn2)c(C)n1-c1ccc(C#N)cc1 728272676 LEHJOJDMRLPJKF-UHFFFAOYSA-N 428.517 5.254 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2)cc1 728466563 VJOCEEULAWWMNV-HHHXNRCGSA-N 429.479 6.258 30 20 IKED N#CC1(c2ccccc2)C/C(=C/c2cccnc2Cl)C(=O)/C(=C\c2cccnc2Cl)C1 728695960 JIJXQARRSSLRIL-YXZJEIOKSA-N 446.337 6.075 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)cc1 728766944 PXLHFINDSFOLIX-XDHUDOTRSA-N 445.563 5.379 30 20 IKED COc1cccc(C(=O)/C(=C/c2ccc(OC)c(OCc3ccccc3)c2)c2ncc[nH]2)c1 729240127 BMEDCJQCFHFVEO-HAHDFKILSA-N 440.499 5.429 30 20 IKED N#C[C@@H](NC(=O)/C=C\c1nc2ccccc2s1)c1ccc(OCc2ccccc2)cc1 729369197 CUMPXHATRMPWSB-KSAKKHMLSA-N 425.513 5.270 30 20 IKED CC(C)(C)c1ccc(-c2nn(CN3CCO[C@@H](C#N)C3)c(=S)n2C2CCCCC2)cc1 729987448 ZXSHWDFIUGAODJ-NRFANRHFSA-N 439.629 5.066 30 20 IKED N#C[C@@H](C(=O)c1ccccc1OCc1cn2ccccc2n1)c1nc2cc(F)ccc2s1 730420864 HRFARHKFEBCLEV-SFHVURJKSA-N 442.475 5.152 30 20 IKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1C1CCC1 730462524 YVIONQSVBOHHHT-FQEVSTJZSA-N 443.519 5.040 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccoc3COc3ccc(C=O)cc3)cc2)c1 731639285 SKDCJICWZJSKPE-UHFFFAOYSA-N 438.439 5.587 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=NNc1ccc(Br)nc1 732711880 KYEFPIXOYGAHNF-UHFFFAOYSA-N 425.117 5.091 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cc(Cl)ccc2SC(C)C)ccc1OC 733632467 AKKWGTPWBAYUNA-KRWDZBQOSA-N 447.988 5.852 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)ccc1OC 733640902 DCLHMHNLIHBLMP-SIKLNZKXSA-N 429.948 5.226 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(COc3ccc(C)nc3)c2)cc1 734080033 HUFYMVPXAZQZAC-IQGLISFBSA-N 441.531 5.444 30 20 IKED N#Cc1cccc(OC2CCN(C(=S)Nc3ccc(OC(F)F)c(Cl)c3)CC2)c1 735628900 ZJIBZNFCZUHVME-UHFFFAOYSA-N 437.899 5.053 30 20 IKED CC[C@H](C)n1c(SCC(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)nnc1-c1ccccc1 735790929 SIZNCNUAHNJWSY-WMZOPIPTSA-N 444.564 5.069 30 20 IKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCS[C@@H](c3ccccc3)C2)c1=S 738247217 XECUOZLYRXSINQ-HXUWFJFHSA-N 426.586 5.154 30 20 IKED Cc1oc(-c2ccccc2F)nc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 739159632 HWIYRANLPPDODM-ZDUSSCGKSA-N 439.418 5.681 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(C)c(NC(=O)NC(C)(C)C)c1 741110884 BFKFGVQKYUDERX-HXUWFJFHSA-N 448.567 5.001 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C)c(NC(=O)NC(C)(C)C)c2)cc1 741111207 IPZJSGXIYUHTNW-HRAATJIYSA-N 448.567 5.390 30 20 IKED O=C(/C=C\c1ccccc1OC1CCCC1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741842586 MCHDKJJPZGNTSL-KAMYIIQDSA-N 438.467 5.240 30 20 IKED C#CCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1 742215416 XAFRTKHVYYNNNF-FQEVSTJZSA-N 439.968 5.022 30 20 IKED COc1ccc(/C=C/C(=O)c2ccc3c(c2)COC3)cc1OCc1ccc([N+](=O)[O-])cc1 742434911 NMCHIJHSHUFEFW-ONNFQVAWSA-N 431.444 5.109 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)n1 747197521 GQOYNRHXYACCPL-AWEZNQCLSA-N 434.348 6.037 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccnc(Oc2ccccc2)c1 749337194 CBUKCQJKXHZLOM-MRXNPFEDSA-N 426.259 5.142 30 20 IKED CCCOc1c(Cl)cc(C=NO[C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1OCC 749522292 CIRMZHFTYDRXFC-ZDUSSCGKSA-N 440.874 5.183 30 20 IKED Clc1ccccc1Nc1nc(Cl)c(C=NNc2nc(-c3ccncc3)no2)s1 750948793 MVAMDVVWXBZNNA-UHFFFAOYSA-N 432.296 5.085 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)c1 754028884 BRYGLGMJPIFZHZ-QGZVFWFLSA-N 433.335 5.344 30 20 IKED C=C[C@H](CC(=O)OCc1csc(N(C(C)=O)c2ccccc2OC)n1)c1ccccc1 758921481 RXTKNLDXEHIFBG-GOSISDBHSA-N 436.533 5.239 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 760083700 CKTRBYLYOHPMJK-SCLBCKFNSA-N 438.380 5.490 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 760784155 OYLWMZFDGUFFCP-UHFFFAOYSA-N 441.802 5.334 30 20 IKED COC(=O)C1C/C(=C/c2ccc(O)c(Cl)c2)C(=O)/C(=C/c2ccc(O)c(Cl)c2)C1 761486535 QELZAQZXMXMVNB-GEMWTQJRSA-N 433.287 5.024 30 20 IKED C#CCOc1ccccc1-c1noc([C@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)n1 761990295 SJBBMAGLNHWFPA-DYESRHJHSA-N 433.508 5.118 30 20 IKED C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@@H](O)c1c(F)cccc1Cl 770369844 GYMCOISXWSDSTG-RCDICMHDSA-N 440.927 5.354 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(O)(Cc3ccc(F)cc3)CC2)cc1 775488571 OQYLODLYWNJXMB-RUZDIDTESA-N 443.522 5.083 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 780670867 REKUIFYZSFJZPH-ROUUACIJSA-N 428.492 5.112 30 20 IKED CC(=NOCc1nc(C(F)(F)F)cs1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 784049618 OINZQSBIILBZQE-UHFFFAOYSA-N 449.380 5.011 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cc(-c3cccc(Cl)c3)on2)ccc1OC 786035168 LMAXMOKZOJSYBJ-QGZVFWFLSA-N 440.887 5.006 30 20 IKED COc1cc(/C=C\C(=O)c2cncs2)cc(Br)c1OCc1ccccc1 787172489 WSNPZPQAYGRWHR-FPLPWBNLSA-N 430.323 5.389 30 20 IKED CC(C)(C)OC(=O)N1CCc2ccc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)cc2CC1 789335209 GKPWWAPHSKCFJX-QFIPXVFZSA-N 441.531 5.061 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)sc2ccc(C#N)cc12 796713776 LHPWJIKHCDGPHA-HNNXBMFYSA-N 444.541 5.161 30 20 IKED C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)[C@@H]1OCCc2sccc21 796745613 LWSIMHGGECSABJ-XKPFWTEKSA-N 446.528 5.138 30 20 IKED Cc1ccc(C(=O)N[C@@H](CC(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c2ccccc2)cc1 797567878 BXCIUBCNXHJDJN-SFTDATJTSA-N 445.588 5.487 30 20 IKED COc1cc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)ccc1C#N 799495171 OOOHFEICNVXVKR-OVCLIPMQSA-N 431.304 5.061 30 20 IKED Cc1cc(NC(=O)c2cccnc2)ccc1OC(=O)c1cn(CCCC#N)c2ccccc12 799714179 JSCGFHARUPBONB-UHFFFAOYSA-N 438.487 5.120 30 20 IKED N#CC1(CCCOC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)CCOCC1 800159850 BKMPULIQZDFTEB-UHFFFAOYSA-N 449.482 5.164 30 20 IKED C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(c2cc3ccccc3[nH]2)CC1 800781201 ZMVDOQAKFMTXJP-UHFFFAOYSA-N 436.563 5.402 30 20 IKED C=CCn1c(CCCOc2ccc(Cl)cc2Cl)nnc1N1CCC(F)(F)CC1 800781979 SKKYYNPVQNXFOV-UHFFFAOYSA-N 431.314 5.018 30 20 IKED N#CCC[C@H](NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1)c1ccccc1 806799371 PQJICINUSYOQNZ-ZDUSSCGKSA-N 427.224 5.029 30 20 IKED CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1ccccc1C(=O)N1CCC(C#N)CC1 813429352 FNAWKPHLOZWRNL-CBQOVEMMSA-N 442.625 5.158 30 20 IKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)SC1=NC(=O)/C(=C\c2csc3ccccc23)S1 814772477 BPEFOWMAJVOUMU-BHIGMYHVSA-N 443.619 5.048 30 20 IKED N#C[C@@H](C(=O)Cc1c[nH]c2cccc(Cl)c12)C(=O)Nc1ccc(SC(F)F)cc1 815906862 LBMWMZCHXCMPQS-AWEZNQCLSA-N 433.867 5.026 30 20 IKED O=C(CON=Cc1ccc(Br)cc1)Nc1cc(C(F)(F)F)ccc1Cl 823367427 YUEYFQLDBMSTCD-UHFFFAOYSA-N 435.627 5.111 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1 915102551 XKJHVQLEVOOLFW-LJQANCHMSA-N 433.533 5.576 30 20 IKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Oc1ccc(Cl)cc1Cl 915128861 LKLNDCOULFEHPH-UHFFFAOYSA-N 445.096 5.011 30 20 IKED COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(OCC#N)cc2)cc1 916152281 VRMYKLKKDASEEP-LFIBNONCSA-N 435.483 5.346 30 20 IKED N#C[C@H](C(=O)CCCc1c[nH]c2ccccc12)C(=O)Nc1ccc(SC(F)F)cc1 916883031 FKFBJGHZVFHDGP-GOSISDBHSA-N 427.476 5.153 30 20 IKED CCCCc1oc2ccccc2c1/C=C/C(=O)[C@H](C#N)C(=O)Nc1c(CC)cccc1CC 916911212 ZRQNWHKFIVIXDM-OFYULWLWSA-N 442.559 6.261 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(COc3ccccc3OC)o2)cc1 916947916 CDDISRPUUHVRBT-DYESRHJHSA-N 446.503 5.342 30 20 IKED Cc1ccccc1OCCCC(=O)Nc1ccc(CNc2snc(Cl)c2C#N)cc1 917076238 JJSXJOQPCVUEIH-UHFFFAOYSA-N 440.956 5.386 30 20 IKED COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)c(F)c1 917564082 WNVFSIUJLKVENI-BJMVGYQFSA-N 430.888 5.525 30 20 IKED N#Cc1ccc(CN[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)cc1 917935216 WCLNURCSYZMFCP-OAQYLSRUSA-N 443.856 5.700 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)cc1 919773438 JZZADWNARVWHJC-UIOOFZCWSA-N 425.532 5.555 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(F)cc2NC(=O)c2ccoc2)cc1 919825429 IHBWRULUHIWVED-UHFFFAOYSA-N 441.418 5.587 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@H](C)c3ccc(C(F)(F)F)cc3)n2)cc1 920144442 QTAANZXSHKLHBQ-LIRRHRJNSA-N 444.478 6.208 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CCCc3cccnc3)CCC2)cc1 1786104514 XIIUIAXBAULJQD-UHFFFAOYSA-N 431.580 5.307 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccnc(C(C)(C)C)c3)CCC2)cc1 1786364538 NQIDZAHFAIWEEZ-UHFFFAOYSA-N 449.595 5.110 30 20 IKED CCOc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4)CCC3)cc2)c1 1790342635 PAHHSPONVMRZDV-UHFFFAOYSA-N 439.515 5.018 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccc(OC)cc3)CCC2)cc1 1791243981 HOSPAQORDZQCIX-GKVQRAMASA-N 432.564 5.145 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)CCc3ccccc3F)CCC2)cc1)C(F)(F)F 1791305763 SZGDLPYVCLPPHY-UHFFFAOYSA-N 434.433 5.011 30 20 IKED CC1(C)CC(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(C#N)cc4)CCC3)cc2)C1 1791645794 QJZIPIOYDRZSFM-UHFFFAOYSA-N 429.564 5.061 30 20 IKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 1803087729 WJNCGNGFSRGJNY-CLJLJLNGSA-N 445.607 5.293 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3occc3c2)[C@H]1c1cccnc1 1809341701 NNZNMVAFUJUIEP-LADGPHEKSA-N 445.563 5.140 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)CCCCC)[C@@H]1c1cccnc1 1810181504 IMMQBRBUFNBKLZ-GNLZIIPMSA-N 425.617 5.072 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(Cl)c2)n[nH]1 1820499491 UZNICFAFNPBBRH-AZUAARDMSA-N 426.948 5.137 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3sccc3s2)[nH]n1 1821920578 IUKZGZXMPAHHQM-UKRRQHHQSA-N 428.583 5.204 30 20 IKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1Cl 1823908385 SHLKITLJJVQLME-XMMPIXPASA-N 449.982 5.067 30 20 IKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830493944 PSQKHRYDSDKYPU-RUZDIDTESA-N 432.564 5.288 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832627875 KLZXDVPJSDOUHR-SQJMNOBHSA-N 449.639 5.539 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2cccc([N+](=O)[O-])c2)[n+]2ccc(CC)cc2)cc1 10173442 YFRYBJGKSPWMCH-UHFFFAOYSA-O 434.541 5.058 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2ccccc2CC)cc1 10174298 UUDFOIVKQMSNBR-UHFFFAOYSA-O 445.652 6.447 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccccc2C)cc1 11166812 BXZRVJWIDWMAJM-UHFFFAOYSA-O 425.524 5.564 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2ccc(C(C)C)cc2)cc1 11262469 KEOIUZJZGFADIW-UHFFFAOYSA-O 448.568 5.619 30 20 IKED Cc1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)c1C 29150508 YESNYZBRLBVLOT-UHFFFAOYSA-N 447.560 5.158 30 20 IKED CC(C)c1ccc(-c2nc(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cs2)cc1 29569556 YFZNMZHVVOWPIC-UHFFFAOYSA-N 444.604 5.153 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2cccnc2Oc2ccc(Br)cc2)cc1 32164010 NHKXGOAUMMCPNN-UHFFFAOYSA-N 436.309 5.690 30 20 IKED Cc1c(C#N)c(NC(=O)CSCc2cccc3ccccc23)n(Cc2ccco2)c1C 58485973 OGCIVNQWPQULSK-UHFFFAOYSA-N 429.545 5.643 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1nc2ccccc2n1-c1ccccc1 62887603 WPQPJKOJCSVONN-UHFFFAOYSA-N 440.503 5.081 30 20 IKED CN(CCOc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 71944215 MGRYMMQDYUFMKP-UHFFFAOYSA-N 448.910 5.007 30 20 IKED N#Cc1ccc(CN(Cc2ccc(C(=O)N3CCCC3)cc2)Cc2cccc(F)c2)cc1 108706471 XITAZIABJLEUGK-UHFFFAOYSA-N 427.523 5.136 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)nnc1-c1ccccc1F 195569212 UOJWZSBBKCODHD-CYBMUJFWSA-N 446.935 5.052 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1nc2cc(Cl)ccc2s1 216009717 HAWRGBHWUGWKDC-CYBMUJFWSA-N 440.893 5.471 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1csc2nc(-c3ccccc3)cn12 302880937 XVVOTIHZXYRDDU-UHFFFAOYSA-N 427.982 5.535 30 20 IKED C=CCn1c(=O)c2ccccc2n2c(S[C@@H](C)c3ccc(C(F)(F)F)cc3)nnc12 303232085 YVHQATXFMPEZMA-ZDUSSCGKSA-N 430.455 5.102 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 303376238 LJAKKYVPFRYMRD-INIZCTEOSA-N 444.551 5.003 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1Cc2ccccc2-c2ccccc2C1 303377624 LSRLWLSXZYIZHB-IBGZPJMESA-N 427.573 5.560 30 20 IKED Cc1cc(C)cc([C@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 410422273 XSTPSCHRBIGXFG-FDDCHVKYSA-N 445.950 5.428 30 20 IKED CCn1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1-c1ccccc1 427451536 FEPDPIUTYPANHD-UHFFFAOYSA-N 440.478 5.412 30 20 IKED CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 433266216 RTJFIQSWTORNRE-SANMLTNESA-N 445.538 6.332 30 20 IKED COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438660599 MUDIUJPTDJTHGN-OAQYLSRUSA-N 431.467 5.867 30 20 IKED N#CCC[C@@H](NC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1ccccc1 440090360 UDILEBGMRXRCMJ-TZIWHRDSSA-N 434.540 5.671 30 20 IKED Cc1cc(N2CCNC2=O)ccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 441479343 HHIFCAVBFQFISF-UHFFFAOYSA-N 446.894 5.094 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](Oc2ccccc2Cl)C1 443938325 PHHKJQRRPORMCV-IAGOWNOFSA-N 429.973 5.667 30 20 IKED O=C(c1ccc(Br)cc1C(F)(F)F)N(CCC(F)(F)F)CC(F)(F)F 448532122 LPDOCSXGDLRJGB-UHFFFAOYSA-N 446.107 5.425 30 20 IKED C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 460367027 BVHCUISSNQUKOL-OAQYLSRUSA-N 445.523 5.257 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](C[C@@H](C)O)c1ccccc1 469702613 RHLXOZIEBIWDBK-KNQAVFIVSA-N 429.520 5.335 30 20 IKED CCC1(c2ccc(Cl)cc2)CCN(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 470641603 MDBZUXHRGHYRRM-UHFFFAOYSA-N 448.958 5.077 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(NC(=O)Nc3ccccc3)s2)cc1 474575326 FLWXBSUXWICFAG-UHFFFAOYSA-N 434.521 5.351 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 475581935 LJFADRJWMVVSRR-SFHVURJKSA-N 429.511 5.540 30 20 IKED COc1ccc(C[C@H](NC(=O)C[C@H](CC#N)c2ccccc2)c2ccccc2)cc1OC 475583044 DQRWZKWBPCSVCF-ZEQRLZLVSA-N 428.532 5.191 30 20 IKED CN1CCC[C@@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 476077954 HVDWVLXCGODBPX-SIKLNZKXSA-N 443.513 5.319 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(-c2cncnc2)cc1F 478126287 UDNRORNXTCSHJN-UHFFFAOYSA-N 438.462 5.294 30 20 IKED C[C@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481569653 MMAAZQORIXVUPL-QGZVFWFLSA-N 433.483 5.125 30 20 IKED CC[C@H](NC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F)c1nc(C(F)(F)F)cs1 482373229 RHEDGRKYCCKGMS-JOYOIKCWSA-N 447.351 5.494 30 20 IKED C=CC[C@H](C(=O)N1CCC(c2nc(-c3ccccc3OC)cs2)CC1)c1ccccc1 483061529 ZUXWHQJSXHVSAS-NRFANRHFSA-N 432.589 5.885 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C 484483216 BGCOEKPYVDNOPD-LJQANCHMSA-N 437.613 5.745 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CCN(CCc4ccccc4)C3)cc2)cc1 491490154 JXCZGSVAQBXPPJ-QHCPKHFHSA-N 440.547 5.037 30 20 IKED C[C@@H](Nc1cccc(COCCc2ccccc2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 495517861 TZLXPDCUMFMTHK-GOSISDBHSA-N 445.588 5.307 30 20 IKED CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)CCC(=O)N(CCC#N)c1ccccc1 499693020 NYUVTIKHXHHBFF-DEOSSOPVSA-N 425.960 5.223 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)CCc3nc(-c4ccsc4)no3)c2)cc1 501417256 CFHNZPVMXPBFPG-UHFFFAOYSA-N 444.516 5.014 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(NC(=O)CC)ccc1C 502659511 CZQNWXFQWNOSNE-UHFFFAOYSA-N 448.336 5.465 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1)c1ccccc1 505593199 JJJVBBIOOZETOR-QGZVFWFLSA-N 440.849 5.043 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc(-c3ccccc3)nc3ccccc23)n1 505680859 HFFZUZDDPSIBKR-SFHVURJKSA-N 427.485 5.025 30 20 IKED Cc1c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)sc2ccc(F)cc12 509277333 AOFCBIABQUBSEO-UHFFFAOYSA-N 429.476 5.725 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC(Cc4ccccc4)CC3)s2)cc1 510239588 JCCQBAXYYHQCHX-UHFFFAOYSA-N 449.605 5.189 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCCCC[C@H]2C)c1 510447024 VADBQDWFYWADOW-GOSISDBHSA-N 447.000 5.126 30 20 IKED C[C@@H](Nc1cccc(OCCCC#N)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 511006067 WGFMTFMOSSCBQH-CYBMUJFWSA-N 425.838 5.480 30 20 IKED Cc1nc2ccccc2n1Cc1cc(NC(=O)c2cc(C#N)ccc2Cl)ccc1Cl 511795505 IVIJWOYNIRHBKL-UHFFFAOYSA-N 435.314 5.824 30 20 IKED CN(Cc1cccc(OCc2cccc(C#N)c2)c1)[C@@H](c1cccc(F)c1)c1cnn(C)c1 513031421 FOUHELWLYSMECT-MHZLTWQESA-N 440.522 5.231 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c1 513464114 UQLUTNJTKAJLCO-UHFFFAOYSA-N 439.515 5.016 30 20 IKED COc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)sc2C)cc1 515546389 RSPJYYGHVNCUPM-KRWDZBQOSA-N 438.961 6.485 30 20 IKED CSc1nc(C)c(CCC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c(C)n1 515625936 IIFCMIOJUCMOGT-UHFFFAOYSA-N 434.590 5.085 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1sc(-c2ccc(C)cc2)nc1C 517422212 MKHLXRNQQSJACZ-LJQANCHMSA-N 432.593 5.981 30 20 IKED CC(=O)N[C@H](CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(Cl)cc1 517511507 WCLCEBWFZBMCKC-HSZRJFAPSA-N 433.895 5.210 30 20 IKED CN(C)CCCOc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 517693098 CLPWNBOWTDZPEE-UHFFFAOYSA-N 445.588 5.433 30 20 IKED COc1ccccc1CCN(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 517893476 NTKGXKXZQRESPH-UHFFFAOYSA-N 429.520 5.047 30 20 IKED CCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cnn1Cc1ccccc1 518516518 IFJBOCAYIFYCJK-FQEVSTJZSA-N 442.544 5.116 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1sccc1Br 518793735 AOIDLCMAFDIUAY-UHFFFAOYSA-N 440.363 5.299 30 20 IKED CSc1nc(O)c(C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)cc2)cc1C#N 520607512 OPNWNGXPPHMIEZ-UHFFFAOYSA-N 445.422 5.444 30 20 IKED COCCSc1ccc([C@H](C)NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 521929817 SJDIOIKAPXHNRG-IBGZPJMESA-N 446.572 5.774 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 523594303 HMPZELDSYLLQET-SJORKVTESA-N 444.551 5.145 30 20 IKED COc1ccc(Sc2ccc(NC(=O)CCc3c(C)nn(CCC#N)c3C)cc2)cc1 524499007 LMULFWMXONAKCM-UHFFFAOYSA-N 434.565 5.145 30 20 IKED C=C[C@@H](CC(=O)N(C[C@@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F)c1ccccc1 533955899 XKRGFIJDKQKZLW-YADHBBJMSA-N 430.514 5.259 30 20 IKED CC(C)Cn1ncc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1C(F)F 534087814 GKCKBJWFSKPKCS-UHFFFAOYSA-N 425.439 5.785 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)cc1Cl 534139019 ZBFFTBBXAKMKPO-UHFFFAOYSA-N 426.259 5.009 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)n1 534714777 ASCNQOOHIKUIKC-CQSZACIVSA-N 447.486 5.479 30 20 IKED Cc1cc(C)cc(-n2nc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2C)c1 538578512 KNFPPYFXTMSYSO-OAQYLSRUSA-N 437.528 5.283 30 20 IKED C[C@@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(-c2ccncc2)cc1 540440605 WVCLUAGXPHOMMW-QGZVFWFLSA-N 430.577 5.240 30 20 IKED COc1ccccc1COc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1C 542385886 DMYBIMDBKOJBPK-UHFFFAOYSA-N 441.531 5.651 30 20 IKED CN(Cc1cccc(OCc2cccc(C#N)c2)c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 544622412 ZMKBDPDYWSJYNZ-XNMGPUDCSA-N 430.523 5.628 30 20 IKED N#Cc1cc(Cl)cc(Br)c1NC1CCN(C(=O)CCc2ccccc2)CC1 552961659 LIXHNTVSWQXTTI-UHFFFAOYSA-N 446.776 5.010 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)[C@H](Sc2ccccc2F)c2ccccc2)CC1 554542043 DGICGUYJTRKWBD-HSZRJFAPSA-N 431.536 5.138 30 20 IKED C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1cccc(Cl)c1Cl 561569268 PVLCQPBZCBEHRA-ZDUSSCGKSA-N 436.314 5.318 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 564170476 NJGBIGIOQFWNSR-KRWDZBQOSA-N 436.478 5.785 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 566928956 DKBFSBJTCQSJHW-XZOQPEGZSA-N 426.992 5.232 30 20 IKED CCCN(C(=O)c1ccc(Cl)c(C#N)c1)[C@H](c1cccnc1)c1ccc(F)cc1F 572563060 NTJWBBKVBBTNLD-JOCHJYFZSA-N 425.866 5.527 30 20 IKED CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCc1cccc(C#N)c1 582740517 SINZECSSFMLMPM-UHFFFAOYSA-N 428.319 5.616 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)c2)cc1 591513874 JLQRVHCXKJAMLT-UHFFFAOYSA-N 441.487 5.183 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1 592975830 UVXPZQYCTMYXFS-KRWDZBQOSA-N 425.341 5.394 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)n1 603502140 JMMHHJZBODREDU-ZDUSSCGKSA-N 433.455 5.338 30 20 IKED N#Cc1cccc(CNC(=O)COc2ccc(-c3nc4ccccc4s3)cc2Cl)c1 603614338 QOLKNZYXDHZZTQ-UHFFFAOYSA-N 433.920 5.184 30 20 IKED C=CCc1cc(CNC(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)cc(OC)c1OC 606585294 LBOPVYJKYOMLNF-UHFFFAOYSA-N 438.446 5.004 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc3cc(C(F)(F)F)ccc3s2)c1 608803701 OFGPCRVWBIOGNV-UHFFFAOYSA-N 443.406 5.611 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3SCC(F)(F)F)o2)cc1 609055558 LJVOEEMQMGQQHB-UHFFFAOYSA-N 432.423 5.637 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(Br)cn3)cc2Cl)c1 609062284 KNVODZXLYCKSAA-UHFFFAOYSA-N 442.700 5.200 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)CCc1ccc(O)cc1 609078169 DZLKCFGQYWPEEC-LJQANCHMSA-N 429.520 5.294 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 609377716 CXWVLZPACSRLMH-SJORKVTESA-N 438.553 5.335 30 20 IKED CCOc1cc2c(cc1OCC)CN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)CC2 609435111 QEFCVZDJFMSSNJ-KRWDZBQOSA-N 439.581 5.468 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 609436820 GXJBNFBAJFANRS-YCRPNKLZSA-N 442.009 6.707 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC(CN4CCCCCC4)CC3)cc2)cc1 609517852 YGCIGJNBSWVTQG-UHFFFAOYSA-N 431.580 5.273 30 20 IKED Cc1ncc(-c2ccc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)cc2)o1 609723039 WQGKJVIMCDPZRG-UHFFFAOYSA-N 429.863 6.220 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1F 610313492 FIQBQCGYDSXGCW-UHFFFAOYSA-N 449.869 5.522 30 20 IKED C[C@@H](NC(=O)c1cccnc1Sc1ccc(Br)cc1)c1cccc(C#N)c1 610362685 TZJGRNWQQPNNRS-CQSZACIVSA-N 438.350 5.358 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(N2CCc3sccc3C2)nc1 610628835 LAXHXGQRESLXQG-VXKWHMMOSA-N 443.576 5.009 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C[C@@H](O)COc2ccc(CC#N)cc2)nc1-c1ccccc1 610989547 IQLZRHZEHKFKKF-VWNXMTODSA-N 445.563 5.108 30 20 IKED Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 613292869 ZVLMFDRPKKOQDC-IBGZPJMESA-N 445.320 5.290 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2oc3ccccc3c2COc2ccccc2)cc1 614999609 UOIQRCYDPMNLPV-UHFFFAOYSA-N 426.472 5.180 30 20 IKED O=C([C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618300781 FISTZQNBSFMLGZ-FPQZTECRSA-N 433.314 5.398 30 20 IKED COCc1c(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)sc2cccc(F)c12 618301521 RIYXHXCNVSUTON-NXEZZACHSA-N 443.384 5.390 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1nc(C(F)(F)F)cs1 618747009 JDWGBWPCWYVPAX-NSHDSACASA-N 433.415 5.104 30 20 IKED O=C(Nc1cc(Cl)ccc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 672810874 KFDNCZYCKDEOGZ-OCAPTIKFSA-N 442.709 5.953 30 20 IKED O=C(c1ccc(Oc2ccc(F)c(F)c2)cc1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674445715 UVXWEULLVQRWDT-OKILXGFUSA-N 439.302 5.570 30 20 IKED N#Cc1ccc(NC(=S)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1Cl 726475163 HRSIOOGZGJGWKG-UHFFFAOYSA-N 431.304 5.519 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 728268806 UKVLFHWUHFDNPO-UHFFFAOYSA-N 448.526 5.779 30 20 IKED C[C@H](C#N)Oc1ccc(/C=C(/Cl)c2nc(O)c3c(-c4ccccc4)csc3n2)cc1 728696086 MERXSCXKWREDHT-HIPSJFSSSA-N 433.920 6.092 30 20 IKED COCCSc1ccc([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 729037130 WECMORWXFIAARL-CLOONOSVSA-N 445.588 5.963 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cc(C)ccc3c2Cl)cc1Cl 729188040 JSOPONAICDFSRV-ZDUSSCGKSA-N 433.316 5.486 30 20 IKED C[C@H](OC(=O)c1ccccc1-c1ccccc1C#N)C(=O)Nc1ccccc1C(F)(F)F 729850309 FCRVVISQPVDNND-HNNXBMFYSA-N 438.405 5.428 30 20 IKED COc1cc(/C=C/C(=O)c2sc(-c3ccccc3Br)nc2C)ccc1O 730149766 ZIDBYFPKTKOMMK-CSKARUKUSA-N 430.323 5.491 30 20 IKED COc1cccc(C2CC(=O)C(=CN[C@H](c3ccc(F)cc3)c3cccs3)C(=O)C2)c1 730971509 VFMSIUMELQVALY-IXXGTQFESA-N 435.520 5.175 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=S)Nc2c(Cl)ccc(C)c2Cl)ccc1OC 733209779 YDJAELNHEMMXQY-CQSZACIVSA-N 438.380 5.478 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OC 733634041 NGZAVZXEAKNCLR-AEFFLSMTSA-N 438.553 5.092 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)OCc2nnc(-c3ccccc3)o2)c1 735008270 XJRJFEWYKWXZIN-UHFFFAOYSA-N 431.835 5.411 30 20 IKED O=C(/C=C\c1c(OC(F)F)ccc2ccccc12)c1ccc(S(=O)(=O)C(F)F)cc1 735232254 KIVLQLUUNMVOAH-KHPPLWFESA-N 438.398 5.334 30 20 IKED C[C@H]1COCCN1c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 738549783 BXDVCBCBKDVPBI-IBGZPJMESA-N 443.572 5.328 30 20 IKED COCCOc1cccc(F)c1C(=O)/C=C\c1cccc(OCc2cccc(C#N)c2)c1 741840748 CYHDPKADIDKEDP-QXMHVHEDSA-N 431.463 5.198 30 20 IKED Cc1ccccc1-c1cnc(CN(Cc2ccc(C#N)cc2)c2ccc3nc(O)[nH]c3c2)o1 744406917 QAANRNDKMYQJIC-UHFFFAOYSA-N 435.487 5.310 30 20 IKED COc1ccc(CCNC(=S)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1 745724674 UQGFSBJEQNNQGN-UHFFFAOYSA-N 433.552 5.138 30 20 IKED CC[C@H](C)n1c(-c2ccccc2)nn(CN(CCOC)Cc2ccc(C#N)cc2)c1=S 749884537 PEQRJVGLUHFEDR-IBGZPJMESA-N 435.597 5.030 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=S)Nc2ccccc2-c2ccccc2)cc1 750993249 ZOVZKSVBGUENSG-UHFFFAOYSA-N 425.479 5.987 30 20 IKED Cc1cc(CCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)ccc1Br 751829610 BXICBMOCPDIHPB-AWEZNQCLSA-N 432.268 5.311 30 20 IKED N#C[C@@H](C(=O)/C=C\c1ccc2ccc(Cl)cc2n1)C(=O)Nc1cc(Cl)cc(Cl)c1 759209212 ORFUNYWPFZIUNH-XFHJGTJQSA-N 444.705 5.556 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 759392313 OTOMPHHCUGESKG-WMZOPIPTSA-N 446.601 5.598 30 20 IKED CC(C)c1ccc(N(C(=O)Cc2cccc(OCC#N)c2)c2nc3ccccc3s2)cc1 760343867 UTFWLEYZDYWOQU-UHFFFAOYSA-N 441.556 6.229 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)c1 760774809 WIYRXQHSVBTORP-NFBKMPQASA-N 434.927 5.005 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 761674039 PXAROOPLKGGILV-SFHVURJKSA-N 440.475 5.190 30 20 IKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccc(F)cc2)=C(/O)c2ccc(C#N)cc2)cc1 762445818 YVEPDBCZFLNCBB-UHFFFAOYSA-O 446.571 6.212 30 20 IKED Fc1ccc(Oc2ccccc2C=Nn2c(S)nnc2[C@H]2CCCCO2)c(Cl)c1 763407013 UTQNCVNLQQXYNB-GOSISDBHSA-N 432.908 5.275 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2cc3c(s2)CCC3)cs1)c1ccc(F)cc1F 764433042 PJWTVQQHSVMJBM-VURMDHGXSA-N 430.501 5.552 30 20 IKED O=C(/C=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Br)cc1F 767737991 ROKCDGDQTMUJHY-FNORWQNLSA-N 433.258 5.516 30 20 IKED Clc1ccc(CSc2nncn2N=Cc2cc(Br)ccc2Cl)cc1 767765237 YBTJFQJEKZIMOZ-UHFFFAOYSA-N 442.169 5.522 30 20 IKED N#C[C@@H]1C(CN[C@@H](c2cccc(Cl)c2)C2CCCC2)=CC(=O)n2c1nc1ccccc12 775526834 LVKXDPDEFSXTES-HYBUGGRVSA-N 430.939 5.398 30 20 IKED CCC(CC)n1nc(C)cc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 776078125 UQNXTLPMZSHVJX-FQEVSTJZSA-N 430.508 5.306 30 20 IKED COc1ccc(C2(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)CCCC2)cc1OC 777304319 QEKGFWFKTMVPAJ-MRXNPFEDSA-N 439.462 5.137 30 20 IKED N#Cc1ccc(CNC(=O)Nc2ccc(Oc3ccnc4cc(Cl)ccc34)c(F)c2)nc1 782033668 MAYGAMMMCWBIOP-UHFFFAOYSA-N 447.857 5.408 30 20 IKED Sc1nnc(CSc2ccccc2)n1N=Cc1ccc(Br)cc1Cl 782244494 AFXJAWIANUEYKI-UHFFFAOYSA-N 439.791 5.157 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 784482692 JZAIRYJFTTVVPX-FUHWJXTLSA-N 447.526 5.385 30 20 IKED N#C[C@H](C(=O)CN1CCC[C@H]1c1ccc(Br)s1)c1nc2ccccc2s1 784525368 DHMVTRKEKLQWKQ-OCCSQVGLSA-N 446.395 5.134 30 20 IKED COc1cccc(C(=O)/C(=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c2ncc[nH]2)c1 787167711 DBHZSKCBSKUKAL-MOSHPQCFSA-N 445.431 5.019 30 20 IKED COc1cccc(C(=O)/C(=C/c2ccc(-n3ccc(C(F)(F)F)n3)cc2)c2ncc[nH]2)c1 787169888 RCOUQVQNBBFYND-UYRXBGFRSA-N 438.409 5.046 30 20 IKED Cc1cc([C@H](CC(=O)Nc2sc(C)c(C)c2C#N)NC(=O)OC(C)(C)C)cc(Cl)n1 788423076 FHPFLXJXFJEWLK-INIZCTEOSA-N 448.976 5.188 30 20 IKED CC(C)[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H](O)c1ccccc1 788570066 CIZJRKXWORBWPZ-IZZNHLLZSA-N 443.547 5.211 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccsc2)N(CCCF)C1=O)Nc1ccc2ccccc2c1 790756196 DYKPEAZSWLIWGU-IBGZPJMESA-N 441.553 5.221 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)ccc21 796160500 JIHHTSJVPDNTCA-UHFFFAOYSA-N 437.515 5.301 30 20 IKED C=CCOc1ccc(/C=C\C(=O)O[C@H](c2nc3ccccc3o2)C(F)(F)F)cc1OC 798242048 VRGFVJKJEFQALM-YBNHLDJLSA-N 433.382 5.261 30 20 IKED C[C@H](Cc1cncc2ccccc12)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 805853209 HTAGXFAQOBUJCQ-VLIAUNLRSA-N 439.487 5.076 30 20 IKED Cc1c(C#N)c(NC(=O)c2cc(Br)ncc2Cl)n(-c2ccccc2)c1C 808243779 IVPDKVSFMDUKIR-UHFFFAOYSA-N 429.705 5.029 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(F)c(F)c1)[n+]1cc(O)cc(-c2ccccc2)c1 811723717 LLNGGIRQOVIKBD-UHFFFAOYSA-O 439.507 5.002 30 20 IKED C=C(C)[C@@H](CC(=O)N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21)OCC 811953333 NFKYHMQZFWSXIJ-UYAOXDASSA-N 432.561 5.123 30 20 IKED CCCC[C@H](ON=C(C)C)C(=O)Nc1c(-c2ccc(Br)cc2)nc(C)n1C 813460971 OYQWXSLZNLMBBA-KRWDZBQOSA-N 435.366 5.068 30 20 IKED COC(=O)[C@@H](NC1(c2nc(-c3ccccc3F)c(C)s2)CCC1)c1ccc(C#N)cc1 815303248 ZZGGJMAAKJKWJE-NRFANRHFSA-N 435.524 5.012 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2cnc(Br)s2)c1 819689080 UDSUBENSNVUIRI-UHFFFAOYSA-N 448.729 5.153 30 20 IKED CSc1nc(O)c(C(=O)N[C@@H](c2ccc(CC(C)C)cc2)c2cccs2)cc1C#N 913640801 QLTATLKFCVZLJN-FQEVSTJZSA-N 437.590 5.160 30 20 IKED Cc1ccc(C(=O)N2CCCSC2=Nc2ccccc2)cc1NC(=O)c1ccccc1F 915277888 IMIXXGJQOPDKSR-UHFFFAOYSA-N 447.535 5.653 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC2CCC(c3ccccc3)CC2)cc1 915762374 FYHCWAVFRYOKFD-QVKCHMKDSA-N 437.543 5.123 30 20 IKED CC(C)c1nn(C)c(Cl)c1C=NNc1ncnc2scc(-c3ccc(F)cc3)c12 915954930 QJEXVGKLHKICRN-UHFFFAOYSA-N 428.924 5.454 30 20 IKED Cc1csc([C@@H](C#N)C(=O)[C@H](Oc2ccccc2Br)c2ccccc2)n1 916843665 AXFLWNFZOBXVCH-HNAYVOBHSA-N 427.323 5.211 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1-n1cccc1 916887411 OBGPJFFPFFBBCD-SFHVURJKSA-N 425.460 5.062 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCc1ccc(-c2ccccc2F)o1 916902028 BKBWIEQQVUOESJ-NRFANRHFSA-N 432.495 5.491 30 20 IKED CC(C)n1ncc2c(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cc(C3CC3)nc21 916915401 CTNOATAHNRIZKW-FQEVSTJZSA-N 437.503 5.004 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl 920101470 AVWRLGHVFGNQPO-YXMGTMDOSA-N 430.813 5.754 30 20 IKED Cc1sc2nc(CCC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)nc(O)c2c1C 920344931 SYHWXRCPVCNCSU-FQEVSTJZSA-N 442.544 5.241 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CC=CCC4)cc3)CCC2)c1 1786076061 CJHVDWXYNITOSO-VQTJNVASSA-N 427.548 5.418 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)c(F)c3)CCC2)cc1 1786679479 KQOPRERHGIFXGB-UHFFFAOYSA-N 432.948 5.146 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cccc4ccn(C)c34)cc2)CCC1 1789061967 WCQANUMDGAJROJ-UHFFFAOYSA-N 437.490 5.137 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CCC2)cc1 1791582364 PRDMGRKCXIQWPQ-UHFFFAOYSA-N 443.522 5.372 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C4=CCCS4)CCC3)cc2)c1 1792122536 BVJWCWDTCVGDBK-KRWDZBQOSA-N 431.561 5.082 30 20 IKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)c(Cl)cc1F)C2 1793053406 IBJIVUJQBHXOJU-MUJYYYPQSA-N 439.358 5.153 30 20 IKED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1 1803608275 QBHSKOLTLGIPRV-WWNPGLIZSA-N 447.689 5.038 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC)cc2C)n[nH]1 1820658117 STRDMNAJKFVPIH-OAQYLSRUSA-N 438.572 5.025 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3sccc3[nH]2)CC1 1823752228 MYZGPAXNJZDSNR-NRFANRHFSA-N 441.641 5.455 30 20 IKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1 1828461073 WWFIXGNMKSHHQF-CDCCBSOTSA-N 440.672 5.406 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cnc2Cl)CC1 1829066026 LUHDZMCXVFDCIO-NRFANRHFSA-N 446.035 5.269 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc(O)c([N+](=O)[O-])c1)C(=O)c1ccccc1 18064918 XWUYBHSNSDPDHJ-RCCKNPSSSA-N 444.487 5.330 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(-c3ccccc3)cc2)nnc1-c1ccoc1C 21989320 FSVHTZBRMRBHPH-UHFFFAOYSA-N 430.533 5.430 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)NCCc2ccccc2)cc1 22735897 DSTAYXUKIFWJNF-UHFFFAOYSA-O 445.652 5.821 30 20 IKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN(C)[C@@H]2CCCc3ccccc32)c1=S 23611414 WCFQYEJLPKSPPX-NFBKMPQASA-N 448.592 5.079 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC1CCN(CCc2ccccc2)CC1 27934323 FIPXCMCIBIJZCE-UHFFFAOYSA-N 441.600 5.146 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 33242230 GCIUWPXGHVHHRX-UHFFFAOYSA-N 437.455 5.235 30 20 IKED Cc1c(C#N)c(NC(=O)CCSc2c(F)cc(F)cc2F)n(Cc2ccco2)c1C 60430292 KJRQPUGIVMKEEF-UHFFFAOYSA-N 433.455 5.156 30 20 IKED COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)N(C)c2cccc(C#N)c2)cc1 63326547 AVMQAUQZATZQED-LTGZKZEYSA-N 445.522 5.878 30 20 IKED Cn1ccnc1SCc1cccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1 78718906 YIXRFGCFGMSSIF-KRWDZBQOSA-N 431.348 5.014 30 20 IKED CN(Cc1cc(Br)cs1)C(=O)c1cccc(OCc2ccccc2C#N)c1 108824139 RQLOCDLLBNMENL-UHFFFAOYSA-N 441.350 5.233 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3coc4ccccc34)s2)c(C(F)(F)F)c1 166322217 QOACPGDNHUVSLG-UHFFFAOYSA-N 427.407 5.623 30 20 IKED N#Cc1cccc(CN[C@@H](c2ccc(F)cc2)c2ccccc2I)c1 237917412 MYUBIYRLUZQRJS-NRFANRHFSA-N 442.275 5.181 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cc2c(F)cc(Br)cc2[nH]1 303393587 PDSLMLCNGUMLHA-LLVKDONJSA-N 432.318 5.574 30 20 IKED C=C(C)Cn1c(SCC(=O)N(c2ccc(F)cc2Cl)C(C)C)nnc1-c1ccco1 429237671 LSXKLECCLPWROC-UHFFFAOYSA-N 448.951 5.440 30 20 IKED Cc1ccccc1NC(=O)[C@@H]1CCc2ccccc2N1C(=O)c1cccc(SCC#N)c1 429788744 QOYRTZHEMBSHIQ-DEOSSOPVSA-N 441.556 5.211 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)nn1-c1ccc(Br)cc1 432230763 HZBLNWAQZXULAA-OAHLLOKOSA-N 437.322 5.043 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](CCCC#N)c1ccccc1 432853344 UDBMYGGZHXJCSF-AREMUKBSSA-N 438.531 6.002 30 20 IKED Cc1ccc(C)c(NC(=O)Cc2nc(CN[C@@H](CCCC#N)c3ccccc3)cs2)c1 433030954 LWSGMCCOEWMZSD-QFIPXVFZSA-N 432.593 5.466 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1 433741176 VDAYQXZALUCXTO-CTNGQTDRSA-N 434.446 5.456 30 20 IKED N#Cc1cc(F)ccc1NC(=O)N1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 435168536 MICFEKHEYNMVNZ-UHFFFAOYSA-N 447.445 5.071 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H]3C[C@H](c4ccccc4)C3)cc2Cl)cc1 437012500 FLZKWWHCBAEACT-KESTWPANSA-N 445.906 5.005 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN(CCc1ccccc1)c1ccc(O)cc1 437899493 SGEAKKKFJBGAPO-HXUWFJFHSA-N 445.588 5.474 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC1CCC2(CCOCC2)CC1 438600337 UFJJNZFRZDROSF-UHFFFAOYSA-N 433.552 5.307 30 20 IKED CC(C)c1nnc2n1CCN(C(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)[C@H]2C 439231602 VTRXITBGPVOVKM-OXJNMPFZSA-N 448.958 5.319 30 20 IKED C=CCC[C@H](NC(=O)N1CCn2c(C(C)C)nnc2[C@H]1C)c1ccc(C(F)(F)F)cc1 439583351 TWEMSZTUXCLFRH-QAPCUYQASA-N 435.494 5.214 30 20 IKED CCCc1c(NC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)cnn1-c1cccc(C#N)c1 440082961 VOENPYDUUGYLGE-UHFFFAOYSA-N 438.318 5.737 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1ccccc1OC(F)F)c1ccc(C(F)(F)F)cc1 442047914 JQIYYFWOXLGIHH-HNNXBMFYSA-N 442.384 5.069 30 20 IKED N#Cc1cc(NC(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)ccc1OC(F)(F)F 442212705 YLKMGVONPADOIW-MRXNPFEDSA-N 449.820 5.356 30 20 IKED COc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)sc(C)c1Br 442687502 YFVLTEBJMXKBBN-ZDUSSCGKSA-N 447.379 5.750 30 20 IKED N#CCCCn1cc(C(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)c2ccccc21 444344675 YMMCMQXOQJVYRA-UHFFFAOYSA-N 444.362 5.277 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1nc2c(ccc3ccccc32)s1)c1ccccc1 445667582 RUARELFDTUQKEO-UHFFFAOYSA-N 428.517 5.115 30 20 IKED CSc1cccc(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 446348650 ALHKQWGORAKQNE-UHFFFAOYSA-N 439.484 5.010 30 20 IKED C[C@@H](CC1CCCCC1)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 447485564 XBCRBPWTMQJRLB-AWEZNQCLSA-N 441.519 5.125 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(F)cc(C(F)(F)F)cc1F 463708619 SDMJTUSBXAYQLT-UHFFFAOYSA-N 446.375 5.995 30 20 IKED CC[C@@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1nc(C(F)(F)F)cs1 467702473 JAGQBUXKBAROCU-QGZVFWFLSA-N 430.455 5.230 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@H](c3cccnc3)c3cc4ccccc4o3)ccc21 469295437 WBVCIDIWZQGPLW-HHHXNRCGSA-N 436.515 5.612 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCC[C@@H]3c3ccccc3Cl)ccc21 470542113 FHHXLQILHGFRAB-JOCHJYFZSA-N 436.943 5.292 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3CC=C(c4ccc(Cl)cc4)CC3)ccc21 470553607 OVTGGQZEAJIKQF-UHFFFAOYSA-N 448.954 5.244 30 20 IKED N#CCc1cccc(C(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1 470591686 SWKJUUVKCXKXHZ-GOSISDBHSA-N 442.359 5.004 30 20 IKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCc3nnc(C4CCCC4)o3)c2C#N)C1 471105007 UDABCWZCJLXCFJ-HNNXBMFYSA-N 426.586 5.383 30 20 IKED COCCOc1cccc(CCC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 474928245 LNWOTVWTAWVSEC-FQEVSTJZSA-N 428.532 5.060 30 20 IKED Cc1ccccc1-c1noc(C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 475599809 DUJMCYXUTFXWDU-UHFFFAOYSA-N 441.462 5.801 30 20 IKED N#CCCSc1ccccc1NC(=O)c1cc(Br)ccc1Br 476528557 AVYOVQYQVCVUDI-UHFFFAOYSA-N 440.160 5.470 30 20 IKED CCN(C[C@@H]1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1)CC(F)(F)F 477703342 PIPJCEVESMWKFR-KRWDZBQOSA-N 447.526 5.056 30 20 IKED COCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 477871573 BGZBZMQUMWLDEO-KRWDZBQOSA-N 447.343 5.632 30 20 IKED C=C(C)Cn1c(S[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccncc1 481339829 NJYRYOHZKXYHNN-QGZVFWFLSA-N 435.597 5.333 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1c1nc(C(=O)OCC)cs1 484658106 WOYWPFTXNPZIIZ-LJQANCHMSA-N 427.570 5.541 30 20 IKED N#CCCn1cc(C(=O)CSc2nnc(-c3cc4ccccc4o3)o2)c2ccccc21 484729045 PTLWIOKDXNFPTI-UHFFFAOYSA-N 428.473 5.326 30 20 IKED N#CCCN(C(=O)c1ccc(-c2ccc(Cl)cc2)cc1F)c1ccc2c(c1)OCCO2 486190237 AVMWGUNAXARZTR-UHFFFAOYSA-N 436.870 5.478 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(c3ccsc3)CC2)cc1 486510462 SNOBOTAHJIGJPZ-UHFFFAOYSA-N 433.533 5.832 30 20 IKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)C2CCCCC2)nnc1-c1ccccn1 488928734 HDLXYINMKFZNAZ-HSZRJFAPSA-N 447.608 5.056 30 20 IKED CCn1c([C@@H]2CCCN2CCC(=O)Nc2sc3c(c2C#N)CCCC3)nc2ccccc21 490193936 KJTFLXOSDZRQGC-NRFANRHFSA-N 447.608 5.034 30 20 IKED C=CC[C@@H](C(=O)Nc1c(Br)cc(F)cc1Br)c1ccccc1 490252694 SWQWINLKBDBROT-CYBMUJFWSA-N 427.111 5.649 30 20 IKED C[C@H](N[C@@H](C)c1ccc(OC(F)F)cc1OC(F)F)c1nc(C(F)(F)F)cs1 494415466 YOYDLHDYKWZCBL-YUMQZZPRSA-N 432.361 5.777 30 20 IKED CC(C)c1ccc([C@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C(C)C)cc1 495416797 IPYRRRFGKFKZIV-HSZRJFAPSA-N 426.582 5.015 30 20 IKED Cc1cccc(Oc2ccc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)cc2)c1 498278730 XGCGBGMKMFHIPR-UHFFFAOYSA-N 434.517 5.117 30 20 IKED CSc1ccsc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 499595286 VZYQXHLEBLKQOB-NSHDSACASA-N 425.387 6.390 30 20 IKED CC(=O)N[C@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccc(C)cc1 500743618 MYVJLWLXRCIMOZ-RUZDIDTESA-N 427.504 5.173 30 20 IKED C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1nc(-c2ccccc2)cs1 502046948 SGZPAQDISAEFJS-HNNXBMFYSA-N 445.573 5.612 30 20 IKED N#C[C@H](C(=O)c1ccc2c(c1)nc(O)n2C1CCCC1)c1nc2ccccc2n1C(F)F 503447576 LBUBDLJKGOIEET-OAHLLOKOSA-N 435.434 5.092 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)CC2)cc1 503962308 QAOYSKAYHLULEE-UHFFFAOYSA-N 447.947 5.455 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2c(C)c(C3CC3)nc3ccc(Br)cc23)n1 505294440 VFBMEWGUNVEUPA-OAHLLOKOSA-N 426.339 5.438 30 20 IKED CCN(C(=O)c1ccc(OCc2cn3cc(C)ccc3n2)cc1)[C@@H](C)c1ccc(C#N)cc1 509563929 JSKGOFVXELALQJ-FQEVSTJZSA-N 438.531 5.317 30 20 IKED COc1ccc(C[C@@H](C)C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1OC 510300587 WSRFNMFIXWRMCE-LJQANCHMSA-N 446.522 5.122 30 20 IKED COc1ccc2[nH]cc(C3CCN(C(=O)c4cc(C5CC5)nc(SC)c4C#N)CC3)c2c1 510305310 QIXAVUXNFRQIHQ-UHFFFAOYSA-N 446.576 5.062 30 20 IKED N#Cc1ccc(Cl)c(C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c1 511161061 WEGQIATUUFNTPQ-UHFFFAOYSA-N 426.907 5.053 30 20 IKED N#CCCn1cc(CNc2ccc(C(=O)N3CCCCCC3)cc2)c(-c2ccccc2)n1 512394900 LWVHASGLBCKSEM-UHFFFAOYSA-N 427.552 5.092 30 20 IKED Cc1ccc2nc(CSCC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)cn2c1 513715027 KRUVIUOKZMNVRZ-UHFFFAOYSA-N 428.517 5.179 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H](COc4ccccc4Cl)C3)cc2)nc1 513879046 XVKVEVFEWXQKKL-LJQANCHMSA-N 447.922 5.330 30 20 IKED COCCOc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 516264264 KAVWVRRBSSHAMW-QGZVFWFLSA-N 447.343 5.632 30 20 IKED C=CCN(C(=O)Nc1ccccc1-c1cccs1)[C@H](C)c1cccc(-n2cnnn2)c1 517528639 AVZBMLMPJCZFEV-QGZVFWFLSA-N 430.537 5.172 30 20 IKED COCCCCN(Cc1ccccc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 517753181 WARFYBGCGJKYEY-UHFFFAOYSA-N 434.565 5.066 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(NC(=O)c4ccco4)c3)n2)cc1 517801078 XBCHVOKWRFEGLH-LJQANCHMSA-N 443.484 5.154 30 20 IKED Cc1cccc(Oc2ccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2)c1 519191707 MFJLHPLXFNWVCJ-UHFFFAOYSA-N 427.504 5.734 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 519949731 CZPWKTFWDLAQOV-QFIPXVFZSA-N 434.337 5.252 30 20 IKED COc1ccc(-c2ncc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)s2)cc1OC 520489708 IABZHVCEJLFHTB-UHFFFAOYSA-N 448.529 5.075 30 20 IKED CC1CCN(Cc2ccc(CNC(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)CC1 521258568 APDXNPAIMSVGLM-HXUWFJFHSA-N 436.625 5.492 30 20 IKED C=CCN(C(=O)Nc1ccc(OC2CCCCC2)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 522602989 JQLYNSBNWYFLDN-LJQANCHMSA-N 446.555 5.155 30 20 IKED COc1cc(Br)cc(C)c1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 522871973 BZDCTAFPRZFEMJ-UHFFFAOYSA-N 430.346 5.328 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@@H](Cc4ccc(F)cc4)C3)c2)cc1 523015888 LIQSDDCYZYDTLL-QFIPXVFZSA-N 443.522 5.567 30 20 IKED Cc1nc(CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)nc2ccccc12 523957374 VFQOWGALRFVELJ-UHFFFAOYSA-N 428.879 5.186 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCCc3nc4ccccc4[nH]3)cc2Cl)c1 524119802 GTAYDJHEABWTON-UHFFFAOYSA-N 444.922 5.628 30 20 IKED Cc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1NC(=O)NC(C)(C)C 525376932 BFQJRIOBGCTCGD-UHFFFAOYSA-N 442.519 5.831 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCc4c(cnn4-c4ccccc4)C3)c2)cc1 531463272 GCAMGKROFXKVEG-UHFFFAOYSA-N 435.487 5.126 30 20 IKED O=C(NC1CCC(F)(F)CC1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 534185300 MRVYKLKNJDWYFB-UHFFFAOYSA-N 441.322 5.218 30 20 IKED N#CC1(c2ccccc2)CCC(Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)CC1 536100070 UTLJRHIDJYICJK-UHFFFAOYSA-N 444.600 5.618 30 20 IKED C[C@@H](c1ccccc1)n1c(SCC2(C#N)CC2)nc2ccc(Br)cc2c1=O 538660457 RUNKOXBWUHMMHY-AWEZNQCLSA-N 440.366 5.164 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)cc1 540095397 GRLVSKGYMYULFJ-AHWVRZQESA-N 443.522 5.187 30 20 IKED CCCc1c(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cnn1-c1cccc(F)c1 541505794 HIWRQRYXCGLJQK-GMAHTHKFSA-N 431.515 5.268 30 20 IKED CC(=O)CCc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 542001944 XCORVKQJFNIZRB-RTWAWAEBSA-N 440.543 5.392 30 20 IKED N#Cc1ccc(CN(C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)C2CC2)cc1 542296391 GJRAGPKQQXUWJC-UHFFFAOYSA-N 447.585 5.155 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2cc(Br)ccc2Br)C2CC2)cc1 544233028 IFWXDIUYSYVVPZ-UHFFFAOYSA-N 449.146 5.280 30 20 IKED COc1ccc(C(=O)CCCCC(=O)NCc2ccc(-c3ccccc3C#N)cc2)cc1 544792446 CIRQOXIYWPLMKY-UHFFFAOYSA-N 426.516 5.293 30 20 IKED C=CCOc1ccc(/C=C\c2nc(-c3ccc(C(=O)N4CCC[C@@H]4C)cc3)no2)cc1OC 545143124 ICNVHYCTUQJVLL-PIJNTSGSSA-N 445.519 5.105 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)cc2)c1 550504037 NASFESAKPIOURU-UHFFFAOYSA-N 427.338 5.530 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccnc(-c3cncs3)n2)c1 554742023 AOVOEYUWRFCUJV-UHFFFAOYSA-N 433.880 5.170 30 20 IKED O=C(Nc1ccc(F)cc1OCC(F)(F)F)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 554877260 ZVPIXEPANLBGFS-AWEZNQCLSA-N 428.348 5.353 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(-c3ccc(OC)nc3)ccc2C)cc1 555034978 KADSVERLJPTPKW-UHFFFAOYSA-N 431.496 5.017 30 20 IKED C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)N1CCC(C#N)(c2ccccn2)CC1 558629217 CQDABPUEZOXIJC-HNNXBMFYSA-N 427.335 5.662 30 20 IKED CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)c2cccs2)cc1 559482129 MWPPMBWPLPCKIA-LLJLJFOGSA-N 445.588 5.216 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H](CCO)c2ccc(Cl)cc2)cc1 562135323 XROWZTNOQMCPMX-XMMPIXPASA-N 449.938 5.230 30 20 IKED Cc1c(COC(C)(C)C)cccc1NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 563482742 HOZXXEVJMRJQTI-UHFFFAOYSA-N 430.508 6.013 30 20 IKED CC[C@@H](C)N[C@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccco1 564337108 GKPMKCJALRLZHV-NTKDMRAZSA-N 446.551 5.290 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCCC[C@@H]2c2ccccc2)cc1 571577544 ACEKEPDOLGOBCO-AREMUKBSSA-N 425.532 6.091 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@@H](c2c(Cl)cccc2Cl)C2CC2)CC1 580807797 XYPHKYIOEKENDN-HXUWFJFHSA-N 429.351 5.106 30 20 IKED C=CCn1c(-c2cccc3ccccc23)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 581160068 AHKPATUKRQISRC-DRKIFQHWSA-N 430.577 5.219 30 20 IKED Cc1cccc(O[C@@H](C)c2nnc(N3CCC(CC#N)CC3)n2CCc2ccccc2)c1C 581738326 HDBOPBKVUWNQCV-QFIPXVFZSA-N 443.595 5.408 30 20 IKED N#CCCCOc1cccnc1NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 608882573 RWIQYUUIZRGPII-UHFFFAOYSA-N 447.347 5.376 30 20 IKED Cc1oc(-c2ccco2)nc1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609062538 UFXXUKBKLMZONP-UHFFFAOYSA-N 447.878 5.528 30 20 IKED COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1nc2c(c(-c3ccco3)c1C#N)CCC2 609146815 WNTCNRVRPAHELK-OAHLLOKOSA-N 433.533 5.138 30 20 IKED COc1ccccc1SC[C@@H](C)CNC(=O)Nc1ccccc1SC[C@H](C)C#N 609401963 NHBALDSPNVGRBQ-SJORKVTESA-N 429.611 5.497 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](COc1ccccc1F)c1ccccc1 609434832 UCRCJRHRJZKSEN-GCJKJVERSA-N 449.551 6.162 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](CC1CCCCC1)c1ccccc1 609439811 YZHJIGLFTWWEIV-CVDCTZTESA-N 449.620 5.847 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)c1C#N 609667875 QHFAHMLILMMKOS-HKBQPEDESA-N 447.585 5.113 30 20 IKED CCn1c(SCc2ccnc(C#N)c2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 610954778 JEGDZYYNTPPRFS-UHFFFAOYSA-N 436.537 5.151 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3SCc3ccco3)n2)cc1 613318178 OKNHDJUJDNSTFT-HXUWFJFHSA-N 430.554 6.494 30 20 IKED CCc1c(NC(=O)c2cc3ccccc3n2CC#N)cnn1-c1cccc(C(F)(F)F)c1 616697498 CHWFGJDTBFPQCG-UHFFFAOYSA-N 437.425 5.184 30 20 IKED Cc1ccc(-c2noc([C@H](C)N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)n2)cc1F 618448690 ANPBUJNLZJWNTO-DRZSPHRISA-N 425.348 5.308 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 669809538 ZHSXFEOKGGVCIC-QZTJIDSGSA-N 447.514 5.268 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1ccccc1 676457018 RBLFFPIPLXHOLJ-KRWDZBQOSA-N 426.385 5.103 30 20 IKED Cc1cccc([C@H](NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C(F)(F)F)c1 681490428 WOAYGIOVGUDWBM-UPJWGTAASA-N 436.318 5.371 30 20 IKED CC1(C)CN(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC[C@@H]1C(F)(F)F 682849297 NKPHCZPHZFHOMI-FOGDFJRCSA-N 442.366 5.516 30 20 IKED FC(F)(F)c1ccc(-n2cc(CN3C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)cn2)cc1 685419876 HXPUMQMPEKNSPV-OKILXGFUSA-N 431.302 5.064 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C(C)C)cc2)[n+]2ccccc2CC)c1 726572889 QWWADNOQRWAAEE-UHFFFAOYSA-O 427.593 5.965 30 20 IKED COc1cc(C(=O)/C=C\c2c[nH]nc2-c2ccc3c(c2)OCO3)ccc1SC(F)F 728158435 NWVOSHFMRXQNGS-DJWKRKHSSA-N 430.432 5.025 30 20 IKED C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H](C)Oc2ccc(CCC(C)=O)cc2)c1 728248073 DTAMIRAKAWHIEX-JOCHJYFZSA-N 425.528 5.190 30 20 IKED O=C(O[C@H](c1cc(Br)ccc1F)C(F)(F)F)c1ccc(C(F)(F)F)cn1 730403161 WTZPJEPKVIOINP-GFCCVEGCSA-N 446.116 5.462 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C(F)(F)c1cccc(Cl)c1 731075706 IKTVNCXJBPLSCP-ZDUSSCGKSA-N 438.883 5.008 30 20 IKED Cc1cc(C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)c(C)n1[C@@H](C)c1ccccc1 731196412 CZIHJZXOODBQRR-KSFYIVLOSA-N 441.453 5.608 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=S)NC3CCN(Cc4ccccc4)CC3)cc2)c1 731320462 VEXMEIATGILUAB-UHFFFAOYSA-N 442.588 5.302 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 731332550 OEQTWVKIHFEACJ-UZUQRXQVSA-N 442.540 5.787 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)ccc1OC 733656957 RCODSMKZZSUONX-NZQKXSOJSA-N 446.551 5.294 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 733789900 YOPIJFWLVRNILK-QFIPXVFZSA-N 441.556 5.462 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1cccc(COc2cccc(C#N)c2)c1 734591264 SSHUIZYYXXWHNR-UHFFFAOYSA-N 442.515 5.365 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cccc(Nc2ccccc2)c1 735718898 XCABQWQBVXFHLG-GOSISDBHSA-N 445.544 5.477 30 20 IKED N#Cc1cccc(COc2cccc(CNc3ccc(OCC4CCOCC4)cc3)c2)c1 736647127 FZCWDEIADWYQND-UHFFFAOYSA-N 428.532 5.555 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CC[C@H](c3ccccc3OC)C2)c1=S 738284928 KGQYZPYXDJMCOQ-SFHVURJKSA-N 441.000 5.376 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCC(C)(C)NC(=O)OC(C)(C)C)n2)cc1 739155674 KFHWNVFTRRPWBV-QGZVFWFLSA-N 427.570 5.378 30 20 IKED O=C(/C=C\c1cc(Cl)c2c(c1)OCCCO2)c1ccc(S(=O)(=O)C2CCCC2)cc1 741447239 JTJZMJPPBYCRJL-WDZFZDKYSA-N 446.952 5.114 30 20 IKED CC(C)N(CC(=O)[C@@H](C#N)c1nc2ccccc2s1)Cc1cccc(C(F)(F)F)c1 746148140 SXVVABYPLGTTMP-QGZVFWFLSA-N 431.483 5.402 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CSCC(=O)c2ccc(Cl)cc2)cc1 747359686 SWLLZABCGCIPHI-JOCHJYFZSA-N 434.948 5.550 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 748322152 MJCKYZVWNJCNIG-NOTZXAQLSA-N 439.600 5.111 30 20 IKED Cc1[nH]c2ccc(Cl)cc2c1C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 751928202 RZPGMGXFMXRTID-CYBMUJFWSA-N 441.940 5.320 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 752701636 KUKGHLYHSLMEIZ-OFAXGOBFSA-N 448.567 5.576 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)NCc1ccc(OCC#N)cc1 752842733 YAXCUMMGVSSFJJ-UHFFFAOYSA-N 446.507 5.635 30 20 IKED CN(C)c1cc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)ccn1 754268894 FLYXOSZYPNEFIJ-HNNXBMFYSA-N 445.329 5.578 30 20 IKED COc1ccc(C2(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)CCC2)cc1OC 755616118 WIOMGBMBBDEIFN-LJQANCHMSA-N 432.545 5.434 30 20 IKED Cc1ccc(Sc2ccc(Cl)cc2)c(C(=O)Nc2ccc(F)cc2OCC#N)c1 759145751 IQHKERHLBRPTGC-UHFFFAOYSA-N 426.900 6.093 30 20 IKED CCCc1cc[n+](/C(C(=S)Nc2ccc(Cl)cc2)=C(/O)c2ccc(C#N)cc2)cc1 762445614 VTIPQHYOJZWBFZ-UHFFFAOYSA-O 434.972 5.775 30 20 IKED CN(Cc1ccc(C#N)cc1)Cn1nc(-c2cccnc2)n(-c2ccc(Cl)cc2)c1=S 764882126 DMTYEBCRLSTDEB-UHFFFAOYSA-N 446.967 5.080 30 20 IKED C=CCn1c(-c2cnccn2)nn(CN2CCC[C@H]2c2ccc(C(C)(C)C)cc2)c1=S 764896673 DVJDEBNSVAJMOE-NRFANRHFSA-N 434.613 5.149 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN(C)Cc2cccc(OC(F)(F)F)c2)c1=S 765076776 AQDQPNHMHNNNRZ-UHFFFAOYSA-N 449.502 5.040 30 20 IKED N#CCCCn1cc(C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])c2ccccc21 774172318 AYYMDACZYDAUIG-DEOSSOPVSA-N 440.459 5.195 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)OCC(=O)Nc1ccccc1C(F)(F)F 778178540 WSDZMXATWYCEID-UHFFFAOYSA-N 440.377 5.165 30 20 IKED Cc1ccc(-c2c[nH]cc2C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)s1 778429764 NSIWVFWNHVFZNZ-AWEZNQCLSA-N 439.562 5.099 30 20 IKED CC(C)(C)Sc1cc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)ccn1 778639184 ZCTNUTCWFXRXEB-UHFFFAOYSA-N 441.607 5.240 30 20 IKED C[C@@H](C#N)Oc1ccccc1NCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 779746473 VVEHQDZQBADAGW-VIFPVBQESA-N 433.122 5.642 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1 780165020 NNWWBJAHAJNKEX-MRXNPFEDSA-N 449.507 5.100 30 20 IKED N#CCCCN1C(=O)CCc2cc(Nc3nc(-c4cccnc4)nc4ccccc34)ccc21 786819008 MHWJUHJGTUFWSP-UHFFFAOYSA-N 434.503 5.018 30 20 IKED Cc1ccc(NC(=O)Cc2ccccc2CC#N)cc1Oc1ncccc1Br 790598320 TVUFMBBKOTZPQW-UHFFFAOYSA-N 436.309 5.192 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1)c1nccc2ccccc12 792094157 DDHKOZUVULAWMW-RVRUMGBDSA-N 443.934 5.159 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2cccc(Cl)n2)cs1 793163971 OPUPJIUYBSGNJR-UHFFFAOYSA-N 439.850 5.341 30 20 IKED CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(F)cc1 799218797 GKNOTJVOWNREPX-OAHLLOKOSA-N 440.327 5.113 30 20 IKED CC1(C(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)CCN(c2ccc(Cl)cc2C#N)CC1 804442141 OCOZYVKQMCPDIX-NRFANRHFSA-N 449.982 5.381 30 20 IKED C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 804535287 KASYAIIJPXUNRA-CVDCTZTESA-N 443.522 5.019 30 20 IKED COC(=O)c1ccc(Cl)c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 810159173 HEYFWGOFHDKTBV-UHFFFAOYSA-N 434.879 5.024 30 20 IKED COc1ccc2ccc(C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)cc2c1 816038832 IKNXMDUWVAEPQA-RNODOKPDSA-N 441.314 5.355 30 20 IKED CCOc1cc(C#N)ccc1OC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 879819030 JYILNGARBLSQNR-UHFFFAOYSA-N 425.444 5.202 30 20 IKED CCN1C[C@@H](CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)Oc2ccccc21 915352959 PLCZUCCDLDLVAU-RPWUZVMVSA-N 440.547 5.093 30 20 IKED O=C1/C(=C\c2csc(-c3ccccn3)n2)CCC/C1=C/c1csc(-c2ccccn2)n1 915980938 DXBCIMIJLPPCDZ-MCOFMCJXSA-N 442.569 5.944 30 20 IKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C1CC1 916215403 GCHNPVRLNLZXMF-QGZVFWFLSA-N 448.375 5.425 30 20 IKED COc1cccc(C[C@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 918035961 QLXYZPPCFPHEGF-RSXGOPAZSA-N 425.532 5.590 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(COc3ccccc3)CC2)cc1 919904274 CYOZAHVCGKESAZ-SANMLTNESA-N 425.532 5.665 30 20 IKED N#C[C@@H](C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1)c1nc(-c2ccncc2)cs1 920267417 IMRYEGWCXHYNHK-YEODSOHDSA-N 447.972 6.477 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)OC[C@@H](C#N)Cc4ccc(F)cc4)cc3)o2)c1 920880081 WMPZTTRWCXEXOG-LJQANCHMSA-N 441.462 5.390 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CCc3cncc(C)c3)cc2)CCC1 1786855610 KMKCAFMCNIVUNB-UHFFFAOYSA-N 431.580 5.225 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCc3cnccc3C)cc2)CCC1 1786875694 KVTKFUYOEUYIMB-DEOSSOPVSA-N 431.580 5.225 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)CCC1 1788900174 QABJGMXNYGNXIY-UHFFFAOYSA-N 448.563 5.198 30 20 IKED Cn1ccc2cccc(C(=O)NC3(c4ccc(NC(=O)c5cccc(C#N)c5)cc4)CCC3)c21 1790257461 ZUYOMJMPWVTLQQ-UHFFFAOYSA-N 448.526 5.111 30 20 IKED CC(C)=CCCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1790453400 FTQNBWFOQXDZNB-FQEVSTJZSA-N 429.564 5.808 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cccc4nscc34)CCC2)cc1)C(F)(F)F 1791304938 VLMHSMYBCHMDMO-UHFFFAOYSA-N 445.466 5.163 30 20 IKED CC(C)[C@H]1CC[C@H](C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)c[nH]4)CCC3)cc2)CC1 1791375561 GOKQYZRCVOAWLY-MXVIHJGJSA-N 432.568 5.096 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc4cnccc4c3)CC2)C1 1804858394 BYAHQTMXUBEOKP-UHFFFAOYSA-N 433.596 5.072 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C3CC3)cc2)[C@H]1c1cccnc1 1811846921 ANBFMSZDDNVFIG-LOSJGSFVSA-N 445.607 5.271 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3ccoc23)[C@H]1c1cccnc1 1812227667 CCAZLELMWPQFQC-JTHBVZDNSA-N 445.563 5.140 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)c(F)cc2F)n[nH]1 1821067987 RYCSUQNDSOCXNA-LJQANCHMSA-N 448.489 5.125 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)cc(Cl)c2)n[nH]1 1823209037 CTONZSDPXMQARB-AZUAARDMSA-N 444.938 5.277 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2F)CC1 1823938511 GGYSCSJHJBIEPA-OFNKIYASSA-N 446.994 5.481 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C23CCC(CC2)CC3)CC1 1832386759 XPPBHOONHZCVKZ-BMMPOPSUSA-N 426.645 5.345 30 20 IKED Cc1ccsc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832634169 IRPLYLQESNEICF-CVDCTZTESA-N 449.620 5.231 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1cc(C)ccc1C)[n+]1ccc2c(c1)CCCC2 10174343 CMXUGWSETSGMRA-UHFFFAOYSA-O 443.636 6.083 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2ccccc2)c(C)n1C 11159162 QRAAUBARLATMSX-UHFFFAOYSA-O 433.384 5.287 30 20 IKED Cc1ccc(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1[N+](=O)[O-] 16095868 NNKKHFWCPCDWJL-IBGZPJMESA-N 441.896 5.013 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2OC(F)F)nnc1-c1cccc(C)c1 16862976 VUCIEOHCIPVFHM-HNNXBMFYSA-N 444.507 5.160 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)n1 24284692 PMYPEOVTOMOLMP-UHFFFAOYSA-N 449.454 5.053 30 20 IKED COc1cccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1OC(F)F 64714978 QKTMKPJYTYLRSO-LLVKDONJSA-N 436.386 5.188 30 20 IKED C#Cc1cccc(N(Cc2ccccc2)C(=O)C2CCC(NC(=O)C3CCCC3)CC2)c1 97545629 WGHKWQZHCMXQOU-UHFFFAOYSA-N 428.576 5.066 30 20 IKED C[C@H](CSc1ccccc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 261465397 RIPHTVDGJABHIX-CQSZACIVSA-N 426.592 5.069 30 20 IKED Cc1ccc(CN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)Cc2ccco2)s1 303375745 LFXAVFYNIIRSRX-SFHVURJKSA-N 439.606 5.685 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 303770572 GYYCCTJZNCFIEK-UHFFFAOYSA-N 435.286 5.227 30 20 IKED C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)o1 409831697 NCCDCEXMKABAFM-LMDOGRNLSA-N 426.516 5.790 30 20 IKED CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 410308080 JTDTWOGXDCJLLW-HJPURHCSSA-N 446.938 5.837 30 20 IKED C=CCCc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 410343769 IEXRVMRWUTYSJH-UHFFFAOYSA-N 434.521 5.029 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)o1 427431717 MIDMEALSCLIEJM-UHFFFAOYSA-N 443.503 5.501 30 20 IKED C[C@@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)[C@H](C)c1ccccc1C(F)(F)F 428800395 CSEJBOOCDMMZIU-DLBZAZTESA-N 440.469 5.405 30 20 IKED N#CCSc1cccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c1 429863711 UJUAICWQMSUFRX-UHFFFAOYSA-N 433.480 5.621 30 20 IKED Cc1cccn2cc(COc3ccccc3C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)nc12 430616370 GDGYSUQLYWWGLD-LJQANCHMSA-N 444.560 5.466 30 20 IKED N#CCCC[C@H](NC(=O)NCC1(c2cccc(Cl)c2)CCOCC1)c1ccccc1 431847821 XCIABSXSRXYCOH-QFIPXVFZSA-N 425.960 5.123 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1 435599276 SFRVZHIWSWFWGX-CQSZACIVSA-N 425.476 5.528 30 20 IKED C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)c2)C1 438715442 GIYHZFYHPFJCCW-FDDCHVKYSA-N 433.552 5.160 30 20 IKED COc1cccc(C(NC(=O)N[C@@H](CCC#N)c2ccccc2)c2cccc(OC)c2)c1 438863625 WJPUUOFFHGAQBI-DEOSSOPVSA-N 429.520 5.137 30 20 IKED N#Cc1cc(NC(=O)C(=O)Nc2ccc(CC(F)(F)F)cc2)ccc1Oc1ccccc1 440552436 FNFFCUSDGSWALU-UHFFFAOYSA-N 439.393 5.033 30 20 IKED COc1cc(OC)c2cc(CCCNC(=O)c3ccccc3-c3ccccc3C#N)[nH]c2c1 440911635 MJFRNVQPPKGLLQ-UHFFFAOYSA-N 439.515 5.086 30 20 IKED C=CCC[C@@H](NC(=O)CCc1nc(-c2ccsc2)no1)c1ccc(C(F)(F)F)cc1 441584198 ZQUMDRIAJFPEHP-QGZVFWFLSA-N 435.471 5.573 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)c2ccccc21 444270016 QRFIZSSEHJJASR-UHFFFAOYSA-N 438.487 5.089 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)c1C#N 445567311 QYDYPJUVYNGGBM-SJORKVTESA-N 442.466 5.227 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 460796406 UZCXCJIQOCOFBP-SFHVURJKSA-N 425.602 5.096 30 20 IKED N#Cc1cccnc1Oc1ccccc1NCc1cc(Br)ccc1OC(F)F 462222035 LDGYQESQMDYVAZ-UHFFFAOYSA-N 446.251 5.722 30 20 IKED C[C@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccc(Br)s1 463387686 BRMMNQOFGURDTJ-VIFPVBQESA-N 433.249 5.066 30 20 IKED C[C@@H](CC(=O)c1ccccc1F)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 463475823 KXYILCGKLNSWHD-INIZCTEOSA-N 434.442 5.263 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@@H](COCc3ccccc3)C2)cc1 464801789 JRUOMMGLDKRSQE-HSZRJFAPSA-N 426.516 5.338 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1ccc(-n2cccn2)cc1 466962820 GENKZMOGDYBKLN-LJQANCHMSA-N 437.503 5.727 30 20 IKED C[C@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@@H](c2ccsc2)O1 470790000 VMWFOJVEROWFKE-UUOWRZLLSA-N 447.560 5.387 30 20 IKED N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)cc1 471100685 UJHYWEZNSBNHJF-ZDUSSCGKSA-N 442.224 5.127 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 471892694 LFHXHHVZJVNJTC-FQEVSTJZSA-N 428.536 5.183 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCC1CCC(C(F)(F)F)CC1 471934775 CSIJWEKTALAURD-FHERZECASA-N 430.561 6.121 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)NCC1CCN(Cc2cccs2)CC1 480545270 KREDYUDVNYCSMW-UHFFFAOYSA-N 431.561 5.054 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H](C(F)(F)F)[C@@H]1C 480654799 VBMUXXPINWBTMT-OXJNMPFZSA-N 431.458 5.640 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccccn1 481371061 JTHWKVFDXWAUPK-NRFANRHFSA-N 445.523 5.137 30 20 IKED C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 482382484 XJJRCYXULVEFDY-HWPZZCPQSA-N 438.343 5.572 30 20 IKED C=CCN(CC1CCCCC1)C(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 482909229 FPOSAAHKBIVGJS-UHFFFAOYSA-N 447.608 5.016 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 482962928 WPSFUXQLFAPRAI-LSDHHAIUSA-N 432.952 5.274 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@H](C#N)c3nccc4ccccc34)c2)cc1 483189031 AYJRQBOVDLLMSY-HHHXNRCGSA-N 448.522 5.825 30 20 IKED Cc1c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cccc1C(=O)N1CCCC1 483585347 OTSMOUCXEDLPIG-UHFFFAOYSA-N 425.488 5.147 30 20 IKED N#Cc1ccccc1N1CCCN(C(=O)c2ccc(SCc3ccccc3)cc2)CC1 486531303 HKDBRSUNSQUIGY-UHFFFAOYSA-N 427.573 5.203 30 20 IKED C=CC[C@H](C(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1)c1ccccc1 488970377 FKFWCYNWRXYNDF-INIZCTEOSA-N 441.318 5.334 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cc(Cl)ccc3OC[C@@H]3CCOC3)c2)cc1 494778624 IBJJPMXBFSRRPU-GOSISDBHSA-N 448.906 5.672 30 20 IKED C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)[C@@H]1OCCc2sccc21 494997397 PEWQMCMZUUKIIL-XDHUDOTRSA-N 449.551 5.173 30 20 IKED CC(C)CN(C(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1)c1ccc(C#N)cc1 499307275 FFPJLBNSCOJWOD-OYRHEFFESA-N 447.579 5.029 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3ccc(CNc4ccccc4)cc3)CC2)c(F)c1 499509157 BZACXVSATWYKJH-UHFFFAOYSA-N 428.511 5.165 30 20 IKED C=CCC[C@H](NC(=O)N1CCC[C@@](O)(C(F)(F)F)CC1)c1ccc(C(F)(F)F)cc1 500105211 JVSXRIHFYUZAKL-WMZOPIPTSA-N 438.412 5.202 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCCc4c([nH]c5c(F)cccc45)C3)s2)cc1 500196556 DKBZKEYFEMNOID-UHFFFAOYSA-N 445.523 5.206 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 500333533 OBPRIWLCFREDRR-CYBMUJFWSA-N 428.275 5.458 30 20 IKED C=CCc1cc(CNC(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)cc(OC)c1OC 502607773 BPSJBOLEOWNGOP-MRXNPFEDSA-N 437.565 5.116 30 20 IKED Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)[C@@H]1CCC[C@H](C)C1 503297540 GCVDXWUKFSRBKK-PIBDYAPNSA-N 447.579 5.300 30 20 IKED C[C@@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccc(NC(=O)Nc2ccccc2)cc1 506509952 KHWMZRYTNGLGDH-QGZVFWFLSA-N 442.494 5.250 30 20 IKED CC1(C#N)CCN(C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)CC1 506903688 ZRXVIUPRXUJRBE-UHFFFAOYSA-N 430.430 5.115 30 20 IKED C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1c(Cl)cccc1Br 509073876 FGDUBNLUPVFGAH-LLVKDONJSA-N 445.791 5.298 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)[C@H](Oc1ccccc1Br)c1ccccc1 514454194 DRIMAMDGHHZFAK-JOCHJYFZSA-N 435.321 5.099 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1oc2ccccc2c1COc1ccccc1 517460978 IWLJBGFSWNSUJT-GOSISDBHSA-N 442.540 6.516 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC 517530592 YFRHAUBHRYTEJZ-QFBILLFUSA-N 425.554 5.467 30 20 IKED C=CCOc1c(Br)cc(CN[C@H]2CCOc3c(CC)cccc32)cc1OC 517548310 KVCQLGSYLCTMIF-IBGZPJMESA-N 432.358 5.198 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)cc2)nc1 520321858 LRTVOEQHYICSBB-UHFFFAOYSA-N 432.439 5.806 30 20 IKED COc1cc([C@@H](C)NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc(OC)c1OC 520324928 USWLNGAOXDPHQE-QGZVFWFLSA-N 446.503 5.062 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2oc3cc(OC)ccc3c2-c2ccccc2)n1 520444800 VETKMNSLARAUFJ-KRWDZBQOSA-N 446.484 5.232 30 20 IKED N#C[C@@H](NC(=O)c1cc2c(OC(F)F)cccc2[nH]1)c1ccc(OCc2ccccc2)cc1 520538039 XDTRWOQVEZXONU-JOCHJYFZSA-N 447.441 5.343 30 20 IKED COc1ccccc1OCc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)o1 520556676 ANKYQXCRDMUNOA-UHFFFAOYSA-N 440.455 5.783 30 20 IKED CC(C)COc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1SC[C@H](C)C#N 520826370 PUVCOCXBLHHTSS-GOSISDBHSA-N 434.565 5.411 30 20 IKED CSCC[C@@](C)(C#N)NC(=O)c1oc2ccccc2c1COc1ccccc1Cl 521222248 PRXIGYCJGDNLGV-QFIPXVFZSA-N 428.941 5.430 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCCCc3c[nH]c4ccccc34)c2)c1 521699272 RAROYTATYWDGIF-UHFFFAOYSA-N 437.503 5.046 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N(Cc3cccs3)Cc3cccs3)cc2)nc1 521953133 QCTBOOTVSRNDRK-UHFFFAOYSA-N 431.542 5.711 30 20 IKED O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 522272103 JLYITVGRSYUMOD-UHFFFAOYSA-N 447.456 5.239 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(F)ccc3Br)cc2F)c1 524455020 BPPBALKXQIIEBU-UHFFFAOYSA-N 443.247 5.430 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Nc2ccn(Cc3ccccc3)n2)cc1 527057751 JTSMOGGZUVBCDZ-UHFFFAOYSA-N 437.503 5.220 30 20 IKED COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)Nc2cc(CC#N)ccn2)cc1 531669663 ACUDLFUSJPFYTF-SILNSSARSA-N 446.510 5.444 30 20 IKED C=CCOc1ccc(CNc2cccc(CS(=O)(=O)Cc3ccccc3)c2)cc1Cl 532748256 BHFPNWAEIQROIO-UHFFFAOYSA-N 441.980 5.632 30 20 IKED CC(C)Cn1ncc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1C(F)F 535568695 DRJACCGGUABIKB-UHFFFAOYSA-N 426.492 5.752 30 20 IKED COc1cc([C@@H](C)N[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)ccc1OCc1ccccc1 537052357 CHNCXYDWQPZJLN-MSOLQXFVSA-N 447.535 5.034 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C 537098680 QSNOVUHOZLHISB-QHCPKHFHSA-N 429.524 5.155 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(-c2ccc(F)cc2)cc1 539867195 MVOSBGVVMVFEBU-QGZVFWFLSA-N 429.495 5.110 30 20 IKED CC(C)Cn1ncc(NC(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)c1C(F)F 541457324 ZAHXXZKQPZWTMB-AWEZNQCLSA-N 426.336 5.180 30 20 IKED COc1cccc([C@@H]2C[C@H](C)CN2C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1 544259744 PJQSRZGEJCVZAB-BTYIYWSLSA-N 435.915 5.021 30 20 IKED Cc1ccc(C)c(Sc2ccc(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)cc2)c1 548857490 PPGDMQMZEYNZGW-UHFFFAOYSA-N 442.588 5.939 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(Oc2ccccc2Cl)CC1 549158582 HFQOBXMFNZYOKD-MRXNPFEDSA-N 429.973 5.667 30 20 IKED CN(Cc1nc2ccccc2s1)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccs1 549566469 HCRBTJMZYSASTA-UHFFFAOYSA-N 442.573 5.173 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)Nc2cc(Cl)ccc2Sc2ccccc2)CC1 554569707 JACGBWQBHCEXMR-UHFFFAOYSA-N 448.979 5.975 30 20 IKED N#CCCC[C@H](NCc1cc(Br)cc(Br)c1N)c1ccccc1 556908129 JIQIVDZOBHWSMJ-KRWDZBQOSA-N 437.179 5.319 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cccc(C(F)F)c2Cl)nnc1-c1ccco1 558409056 MVWSFGQIMGAQHI-UHFFFAOYSA-N 438.887 5.436 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccc(C#N)c(Br)c1 564126269 YJBPOWCNARVUOJ-UHFFFAOYSA-N 443.732 5.088 30 20 IKED COCC[C@](C)(C#N)NC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1 565272101 RWUWPFCILRXXGD-JOCHJYFZSA-N 428.941 5.427 30 20 IKED COCCOc1cncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 568487401 RXRLKWOWLUPOGQ-MRXNPFEDSA-N 448.331 5.027 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cc(OCC(F)F)ccn1 573113157 GPDBCEFCCDHYQL-UHFFFAOYSA-N 442.306 5.035 30 20 IKED O=C(Cc1noc([C@@H](F)c2ccc(C(F)(F)F)cc2)n1)Nc1ccccc1C(F)(F)F 576073192 NQKIZMDGGCYDOY-INIZCTEOSA-N 447.310 5.347 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccnc(Oc2ccccc2Cl)c1 578171527 CBHXPVHYFJUFIE-UHFFFAOYSA-N 437.883 5.205 30 20 IKED CC(C)[C@@H](c1ccc(Br)cc1)c1noc([C@H](C#N)Cc2ccc(C#N)cc2)n1 582267214 IHWWFMIIXUKRDH-ICSRJNTNSA-N 435.325 5.342 30 20 IKED N#Cc1cc(NC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)ccc1OCC(F)(F)F 603660520 ZJILTULHYXOFIG-MRXNPFEDSA-N 446.454 5.478 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N[C@H](c2cccs2)C(C)(C)C)n1 603905301 OCWDYOOILPYXRH-MRXNPFEDSA-N 427.517 5.338 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N(CC(C)C)c1ccc(C#N)cc1 603956533 VLURECJNLILHPT-UHFFFAOYSA-N 435.524 5.622 30 20 IKED CC[C@H](NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)cc1F 606641443 AIESBTRMPCVQGT-YHAQOWFVSA-N 432.355 5.625 30 20 IKED C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)Nc1cc(C#N)ccc1OC(F)F 609080289 GDVSKGAHRZCACX-HNNXBMFYSA-N 427.476 6.016 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H](c2nc3ccccc3o2)C1 609385174 WZEBOSYZCFOJGU-QZTJIDSGSA-N 434.565 5.040 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cc(Cl)c2c(c1)OCCCO2 609434704 KFGZMLXKZXFIMH-CQSZACIVSA-N 431.945 5.217 30 20 IKED CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 609638789 FPTKWWPCGLGXAO-AWEZNQCLSA-N 431.970 5.107 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCSC[C@H]3c3ccc(Cl)cc3)cc2)nc1 609700167 IFTZZBKPJQEAFX-NRFANRHFSA-N 435.936 5.329 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3csc(Cc4ccccc4F)n3)cn2)cc1 609783976 DXVRAAOXTRYVAU-UHFFFAOYSA-N 430.464 5.184 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1 610489868 FKGCGMFCWYKIHU-FQEVSTJZSA-N 439.540 5.870 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1sc(-c2ccccc2)nc1C(F)F 611186023 LOBMKJXINHWMAJ-CYBMUJFWSA-N 429.517 6.252 30 20 IKED N#CCCN(C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)cc1 615759158 LFZLHYGLFBTWNC-UHFFFAOYSA-N 447.297 5.452 30 20 IKED COc1cc(C(F)(F)F)ncc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 616711448 WXHHFXVSCQAGFN-UHFFFAOYSA-N 427.382 5.220 30 20 IKED COc1cccc(/C=C(\CC(=O)N2CCC[C@@](C)(C#N)C2)c2nc3ccccc3s2)c1 618861965 NIAIWHJPCYUXJV-JFJNVINNSA-N 431.561 5.388 30 20 IKED Cc1nc(CSc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc2)cs1 642281345 BRBFPACINAVZPF-FQEVSTJZSA-N 447.610 6.357 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1sc(-c2ccccc2)nc1C(F)F 672239314 YTDFZNZFWWXRGT-UHFFFAOYSA-N 430.524 5.744 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N1CC(Cc2ccc(F)c(F)c2)C1 674618378 ILKOESLRSLQMHZ-STQMWFEESA-N 444.366 5.058 30 20 IKED O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 683088532 HPAAJKBWDGXPLZ-UMNHJUIQSA-N 440.281 5.201 30 20 IKED C[C@H](Oc1ccccc1NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)C(F)(F)F 685096212 XBTNWQOWFUNWGO-GUBZILKMSA-N 438.290 5.221 30 20 IKED N#Cc1ccc(NC(=S)N(Cc2cc(Br)ccc2F)C2CC2)cc1Cl 726486061 ZDRHLYJXTJEGKF-UHFFFAOYSA-N 438.753 5.475 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(C)c2)c1 726573016 VOJVBODGYJCATN-UHFFFAOYSA-O 440.375 5.894 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)cc2Cl)[n+]2ccc(C)cc2)c1 726573457 FBUSUXCGDYMKBM-UHFFFAOYSA-O 440.375 5.894 30 20 IKED C=CCn1c(-c2cccc(C)c2)nn(CN(CC)Cc2ccc(CN(C)C)cc2)c1=S 727426447 PQDNPPLDTFAQPB-UHFFFAOYSA-N 435.641 5.117 30 20 IKED N#C[C@@H](C(=O)CSC[C@H]1CCCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 727626803 GARRAMMJHXHBIQ-HIFRSBDPSA-N 441.405 5.595 30 20 IKED Cc1cc(C)c(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(C)c1 728065501 JRWGPXPYXPWAOJ-OAQYLSRUSA-N 427.548 5.810 30 20 IKED C[C@@H](C#N)Oc1ccc(/C=C(\Cl)c2nc(O)c3c(-c4ccccc4)csc3n2)cc1 728696087 MERXSCXKWREDHT-KVMVOAJRSA-N 433.920 6.092 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)cc1OC 728888154 MUMMKFFMTNZOKG-VZUCSPMQSA-N 435.501 5.193 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C\C(=O)c1ccc(N2CCCC2=O)cc1 730578445 QUXHDAYVQIPOKY-YPKPFQOOSA-N 433.939 5.225 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(CC2CC2)C(=O)N[C@@H]1c1ccc(O[C@H](C)C#N)cc1 731430081 LKHGROWUAYXSCV-IQMFZBJNSA-N 449.938 5.107 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 732495850 IRHWYMPAFUDGKD-HXOBKFHXSA-N 438.487 5.220 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 732537802 AZGQBYMHEWPURH-FTJBHMTQSA-N 447.538 5.505 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2cccc(Br)c2)C2CC2)c1 733852528 YOVQHOSWCUHUBH-HXUWFJFHSA-N 442.357 5.004 30 20 IKED CCOc1ccc(Cl)cc1C(=O)/C=C\c1csc(N(C(C)=O)c2ccc(C)cc2)n1 735978935 PQGWYDIWJCLKOE-FLIBITNWSA-N 440.952 6.084 30 20 IKED CC(C)N(CCC#N)Cn1nc(Cc2ccccc2)n(-c2ccc(Cl)cc2)c1=S 739841684 NSMBHRIVTPAGSW-UHFFFAOYSA-N 425.989 5.229 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)NCc1ccc(C#N)cc1 741403634 JPSLCTJAULTEPE-UHFFFAOYSA-N 441.510 5.925 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2ccccc2-c2ccccc2C#N)cc1 744516519 QXRJWFBINOFBGA-FQEVSTJZSA-N 437.499 5.026 30 20 IKED Cc1sc(NC(=O)COC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c(C)c1C 744977685 VBZHSEQAVMYQDS-UHFFFAOYSA-N 438.480 5.272 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(C=NNCc2ccc(-c3ccccc3)cc2)cs1 748085658 LWBACNYYEHNZAA-UHFFFAOYSA-N 444.535 5.758 30 20 IKED C#Cc1cccc(N(CC)Cc2csc(N(C(C)=O)c3cccc(C(F)(F)F)c3)n2)c1 756588277 COPGUDBDZCXBTI-UHFFFAOYSA-N 443.494 5.854 30 20 IKED C[C@H](ON=Cc1ccc(Br)cc1)c1nnc(-c2ccc(Cl)cc2Cl)o1 757616303 VACOGDZTCHFRJY-JTQLQIEISA-N 441.112 5.918 30 20 IKED COc1ccc(C(C)(C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 757874282 HVRAAGGOESAMGP-KRWDZBQOSA-N 440.952 5.635 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ccc(F)cc4OCC#N)cc3)o2)c1 760789812 MHLZAGWBLBGMNO-UHFFFAOYSA-N 428.423 5.006 30 20 IKED CN1C/C(=C/c2ccc(Cl)nc2Cl)C(=O)/C(=C\c2ccc(Cl)nc2Cl)C1 761473918 JIWPUEVOWCGBCN-QXFGSWAMSA-N 429.134 5.072 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCOc2ncc(Cl)cc2Cl)cc1 762215996 UPIKKDMZRNQJQC-LJQANCHMSA-N 441.318 5.244 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(N4CCCC4)nc3Cl)n2)cc1 764761408 NSKWHQYQNBJZMT-AWEZNQCLSA-N 444.969 5.019 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1NC(=O)OC(C)(C)C 772554761 RYEHEFKVFXSERH-OAHLLOKOSA-N 441.940 6.095 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)ccc1OC 772980549 SNOHUABWUXSBOQ-YWZLYKJASA-N 439.556 5.798 30 20 IKED Cc1cc(C#N)ccc1NC1CCC(OC(=O)c2ccc(-c3cncnc3)cc2F)CC1 774244715 YDRPGZVJZOVKKV-UHFFFAOYSA-N 430.483 5.043 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)ccc2C)[n+]2c(C)ccc(O)c2Cl)c1 777513538 DPXOQMTZIHAVDG-UHFFFAOYSA-O 449.983 5.563 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 780680476 FCGZNLJNJGQMCB-NRFANRHFSA-N 432.568 5.030 30 20 IKED Cn1nc(C(F)(F)F)c(CN[C@@H](c2ccccc2OC(F)F)C(F)(F)F)c1Cl 782502064 FPCPTDNZUQTEMQ-JTQLQIEISA-N 437.718 5.087 30 20 IKED CC(=NOCc1cc(-c2cccs2)on1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 784049453 LXKWIOUUXMQCLJ-UHFFFAOYSA-N 447.442 5.252 30 20 IKED C=CCOCCCC(=O)Nc1cc(Br)cc(C)c1NC(=O)OC(C)(C)C 784690024 DBJAGSFSUNIZNV-UHFFFAOYSA-N 427.339 5.026 30 20 IKED CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 785024517 VKHUBVAFXKDZMM-UIOOFZCWSA-N 439.559 5.069 30 20 IKED CC(C)c1cc(C(=O)[C@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nn1C(C)(C)C 787050786 MDMCRUMDQUPTMV-BBRMVZONSA-N 449.382 5.268 30 20 IKED N#CCCn1cc(/C=C/C(=O)c2ccc(-c3ccc(F)cc3)s2)c(-c2ccncc2)n1 788349072 IKHMQZLDSFZNNJ-QPJJXVBHSA-N 428.492 5.622 30 20 IKED C=CC[C@@H](OC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccc(Cl)c(Cl)c1 791055399 VJOKNWWIFYECJO-CRAIPNDOSA-N 425.333 5.115 30 20 IKED N#Cc1ccc(C[C@H](C#N)C(=O)NCCCN2c3ccccc3Sc3ccccc32)cc1 792052012 FFNKEISFGCECII-OAQYLSRUSA-N 438.556 5.050 30 20 IKED N#CC1(CCCOC(=O)[C@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)CCOCC1 800164259 JCUDZTPISQSUPY-OAQYLSRUSA-N 448.346 5.757 30 20 IKED CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(c2ccc([C@@H](C#N)c3ccccc3)cc2)C1=O 804204170 QUXGYQXINCXTLF-DHLKQENFSA-N 429.907 5.357 30 20 IKED CC(=O)c1oc2cc(C)ccc2c1CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F 805904370 MKRWGVPHAJONED-UHFFFAOYSA-N 446.290 5.201 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H](Nc1nc(Cl)c(C#N)s1)CC(C)(C)O2 811863428 UJQXZLNGNWCNGA-ZDUSSCGKSA-N 434.949 5.729 30 20 IKED C[C@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1ccc(N2CCCNC2=O)cc1 812903313 SGHFJGKZCKKPPI-QFIPXVFZSA-N 438.575 5.157 30 20 IKED CC(=Nn1c(C)nc2scc(-c3ccccc3)c2c1=O)c1cnn(-c2ccccc2)c1C 818226397 QEAWNRPFPRAWDV-UHFFFAOYSA-N 439.544 5.200 30 20 IKED Cc1ccc(O[C@H]2CCN(C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)C2)nc1 858057661 BYYXSOCBGHNIHS-NRFANRHFSA-N 433.895 5.001 30 20 IKED CCC(=O)c1ccc(OCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 915104446 RCLWWKSVGMLAAX-HNNXBMFYSA-N 432.423 5.163 30 20 IKED Cc1sc2ncn(N=Cc3ccc(F)c(Br)c3)c(=O)c2c1-c1ccccc1 916284192 PYTWNHNTANOYSM-UHFFFAOYSA-N 442.313 5.217 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1COc2ccc(Cl)cc2C1 916908937 ORCMXRAYEMBOPU-PXNSSMCTSA-N 446.890 5.031 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc2ccccc12 916919346 WXEIOKQYIAOUHI-VWLOTQADSA-N 446.506 5.817 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3nccn3-c3ccccc3C)n2)cc1 916974777 PZILDQHENKJYCI-IBGZPJMESA-N 444.585 5.581 30 20 IKED N#C[C@H](C(=O)CCCOc1ccccc1Br)c1nc2ccccc2n1C(F)F 917045208 WSNOWJNTFDPQFX-CYBMUJFWSA-N 448.267 5.229 30 20 IKED N#C[C@@H](C(=O)CN(Cc1ccc(C(F)(F)F)cc1)C1CC1)c1nc2ccccc2s1 917096956 MFKNZMQIUFKFAA-KRWDZBQOSA-N 429.467 5.156 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C)OC(=O)c1ccc(COc2ccccc2C#N)o1 917328704 UMOXBIJVIHLVKU-KRWDZBQOSA-N 446.503 5.039 30 20 IKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(C)s2)cc1 917612547 XXWNYSPEJWNRSV-UHFFFAOYSA-O 448.637 6.443 30 20 IKED CCCN(C(=O)c1cccc(CC#N)c1)c1cccc(NC(=O)c2cccc(CC#N)c2)c1 920004207 YYQIZLMQBWAZMU-UHFFFAOYSA-N 436.515 5.128 30 20 IKED CCOc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920806195 INCLDVURNYGICQ-QGZVFWFLSA-N 442.487 5.522 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3c[nH]c4cc(OC)ccc34)cc2)CCC1 1786171468 NYCFDTQUYPLNLD-SFHVURJKSA-N 445.563 5.065 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ccc(OC)cc34)CCC2)cc1 1791249970 FCCGHFLOUMCZLT-KRWDZBQOSA-N 431.536 5.136 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc4cccnc4s3)CC2)C1 1804858640 MNNUPICRQJIXMS-UHFFFAOYSA-N 439.625 5.134 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)C[C@@H](C)Oc3ccccc3)CC2)C1 1804866728 MFBQSZRJCAJVOI-JOCHJYFZSA-N 440.628 5.068 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cccc(C)c3[nH]2)n[nH]1 1819024423 GZTKYUKROYCKFN-UGKGYDQZSA-N 445.567 5.274 30 20 IKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)[nH]n1 1822399451 CBCICWPJBJZPCN-OAHLLOKOSA-N 428.945 5.160 30 20 IKED CC(C)C1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)CCC1 1823066571 FWMGWKGHIYFHNX-XMSQKQJNSA-N 447.583 5.169 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(C)(C)C)oc2C)CC1 1825951657 VYUYPLACJOLLNB-XMSQKQJNSA-N 428.617 5.331 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2OCC)CC1 1829919370 FICQPNIWPDNZDT-DEOSSOPVSA-N 438.612 5.087 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)cc2OC)CC1 1832583986 SGWHHAKLSKALID-LADGPHEKSA-N 438.612 5.005 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1ccc(Oc3ccccc3)cc1)C2 1844203278 HDPOFSPJGXDKDI-DEOSSOPVSA-N 430.548 5.064 30 20 IKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccccc2)c(Cl)c1 10178871 VESCYAIIMVOKND-UHFFFAOYSA-O 436.000 5.784 30 20 IKED Cc1ccc(-c2nnc(SCC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)o2)cc1 11453790 STJATHYFAMXCEY-UHFFFAOYSA-N 426.929 5.046 30 20 IKED C=CCc1ccc(OCC(=O)Nc2ccccc2-c2nc3ccccc3s2)c(OC)c1 15322687 OHWWLEIODOSCMI-UHFFFAOYSA-N 430.529 5.718 30 20 IKED Cc1nc(-c2ccccc2)sc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 17343377 XQICYCATAIILHI-UHFFFAOYSA-N 449.586 5.386 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(F)cc2F)cc1 22727151 HJMKNMFMNHAVHM-UHFFFAOYSA-O 447.477 5.534 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1cccc(Cl)c1C 32786580 LWSJUUPBXCCFLC-INIZCTEOSA-N 426.973 5.136 30 20 IKED C=CCOc1ccc(/C=C\C(=O)O[C@H](C)c2nc3ccccc3n2C(F)F)cc1OC 206161311 GOMIOKIYBOTCLT-KUGGDMIFSA-N 428.435 5.322 30 20 IKED CCOc1cc(CN[C@@H](C)c2cccc(C#N)c2)cc(Br)c1OC(F)F 236992795 CKJUVOUSWOKHSU-LBPRGKRZSA-N 425.273 5.172 30 20 IKED CC[C@H]1Oc2cc([C@H](C)NCc3cccc(OCc4cccc(C#N)c4)c3)ccc2NC1=O 237086462 WZJUXZBXKBOVSW-AVRWGWEMSA-N 441.531 5.098 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 303844720 MOEUJGDRFJGJDD-UHFFFAOYSA-N 431.336 5.182 30 20 IKED COc1ccccc1-c1cc(NC(=O)c2cccc(SCC#N)c2)n(-c2ccccc2)n1 429956271 TZKNKBXXPGARAF-UHFFFAOYSA-N 440.528 5.416 30 20 IKED N#CCCC[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccccc1 432624678 WCDLCNWWDCZOGM-SFHVURJKSA-N 427.430 5.448 30 20 IKED CC(C)Oc1ccc(NC(=O)C(=O)N(Cc2ccccc2)[C@@H](C)c2cccs2)cc1C#N 435489361 KCADCOVRQMZJBC-SFHVURJKSA-N 447.560 5.135 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 436363676 KPOKGTFEHJEWEL-UHFFFAOYSA-N 431.370 5.175 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)Nc1cccc2ccsc12 439527851 KNKOKXIQUIUBKO-UHFFFAOYSA-N 441.512 5.238 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3nc(-c4cccc(O)c4)cs3)c2)cc1 439535407 HKNICAZYNAMTMT-UHFFFAOYSA-N 427.485 5.219 30 20 IKED Cc1nnc(N(CCC(C)C)C(=O)c2cc(-c3cccc(C#N)c3)no2)c2ccccc12 448338436 BTTVUVIBXUEYMU-UHFFFAOYSA-N 425.492 5.158 30 20 IKED Cc1ccccc1[C@H]1CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@H](C)CO1 460386595 LAVRWSNDSNLQBE-FQRUVTKNSA-N 426.516 5.048 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1cc(C(F)(F)F)ccn1 464410077 MHJYPKZENOCLQY-GFCCVEGCSA-N 425.197 5.083 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 464461517 OYQLPFNQLJHJPK-UHFFFAOYSA-N 447.922 5.569 30 20 IKED C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(OCC2CC2)c(F)c1 469439491 XHZJRCUMUFLGFD-INIZCTEOSA-N 434.467 5.149 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2c(C(F)F)nn(C)c2s1 470804361 UAYNTIARZWBPOC-UHFFFAOYSA-N 439.447 5.192 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@@H]1CCOc2ccc(Br)cc21 475550280 HGPBXOARYGNOSK-HXUWFJFHSA-N 443.385 6.289 30 20 IKED O=C1CCC(CC(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CC1 475841944 XZECFNBVSHXDII-OAHLLOKOSA-N 449.313 5.593 30 20 IKED Cc1nn(-c2ccc(Br)cc2)c(NC(=O)c2ccc(C(C)(C)C#N)cc2)c1C 476096478 VAAQYHHGFGVECJ-UHFFFAOYSA-N 437.341 5.305 30 20 IKED C=C(C)[C@H](NC(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1)c1ccc(F)c(F)c1 480134840 HTGXYSVCKZDMNE-NRFANRHFSA-N 443.425 5.697 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1 480538857 JKKJZKCQBHCYKB-KUHUBIRLSA-N 433.936 5.336 30 20 IKED N#Cc1cccc(OCCCSc2nnc(-c3ccc(F)cc3)n2Cc2ccco2)c1 481341685 PJZBQOQONWVLRV-UHFFFAOYSA-N 434.496 5.158 30 20 IKED Cc1onc(-c2ccncc2)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 481510325 OWWGPCFGVJHLMK-UHFFFAOYSA-N 444.878 5.401 30 20 IKED COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481682589 FRQKAORSZWDSDW-QHCPKHFHSA-N 445.494 5.654 30 20 IKED CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1 481765431 JSFDYJPJQGPVDV-UHFFFAOYSA-N 442.949 5.019 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 487675525 RNDBYYGBWSYDJW-CYBMUJFWSA-N 431.439 5.030 30 20 IKED N#Cc1ccc(CCC(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)cc1 489223162 NPJHJZZLCAUPSB-HSZRJFAPSA-N 437.312 5.298 30 20 IKED N#C[C@@H](C(=O)c1ccc(Br)c2c1OCCC2)c1nc2ccccc2n1C(F)F 489852888 KTSQGWJTOQTHDT-ZDUSSCGKSA-N 446.251 5.009 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)o1 491017225 FMXVJGVUSRCGBA-SFHVURJKSA-N 447.560 5.085 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 500899178 VFDJGORKNLYYGZ-CTNGQTDRSA-N 436.474 5.215 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 502067827 HVJRETCQTXIGHJ-OAHLLOKOSA-N 444.878 5.353 30 20 IKED COc1ccc(-c2cc(NC(=O)N[C@@H](C)c3ccc(C#N)cc3)ccc2OC(F)F)cc1 505317963 LAQOERYPKWSYHT-HNNXBMFYSA-N 437.446 5.718 30 20 IKED N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)F)c1ccc(OCc2ccccc2)cc1 505361040 CMWDKPHXMRSJNR-ZRBLBEILSA-N 448.469 5.352 30 20 IKED Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(CCC#N)Cc1cccnc1 505864865 RVYPXADMRJALCD-UHFFFAOYSA-N 441.510 5.423 30 20 IKED C=CCn1c(SC[C@H](OC)c2ccc(Cl)cc2)nnc1[C@H]1COc2ccccc2O1 509099646 OKVSZLHVFNHFJS-UXHICEINSA-N 443.956 5.110 30 20 IKED Cc1ccc(OCc2cccc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)c2)cn1 510045577 ZSRCWHCGLXFTLC-UHFFFAOYSA-N 441.409 5.034 30 20 IKED Cc1nc2ccccc2n1CCCNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 510537972 KISQDPGEPMMQNI-UHFFFAOYSA-N 425.492 5.221 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 510554567 RJZHKKWTTJGPTL-QGZVFWFLSA-N 428.492 5.092 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC 510686340 WAYTXZZMXAZYEM-QFIPXVFZSA-N 443.503 5.737 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(OCC)cc2)cc1 511019726 VXRDAYQKVXSSCG-DEOSSOPVSA-N 433.552 5.269 30 20 IKED C=C(C)COc1cc(CN(CCC)C2CCN(C(=O)c3ccccc3)CC2)ccc1OC 512511969 OLHGXNATCILUIL-UHFFFAOYSA-N 436.596 5.167 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)cc1Cl 514465804 HWPWFTWZOBENNC-LJQANCHMSA-N 448.935 5.678 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cccc2ccccc12 516736425 LTVGKCDWWUONGP-GOSISDBHSA-N 435.483 5.320 30 20 IKED N#C[C@H](C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1nc(-c2ccncc2)cs1 516768066 QSDVAZAPUBRLPN-GOSISDBHSA-N 441.472 5.347 30 20 IKED Cc1csc(NC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)c1C#N 517200780 ZZSKIMZFAANBMA-UHFFFAOYSA-N 440.322 5.195 30 20 IKED Cc1ccc(-c2nc(CCNC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)co2)cc1 517750832 UGINJHAFYHCAEY-UHFFFAOYSA-N 438.487 5.678 30 20 IKED C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 521263907 PSWIVVJARJCFIT-DAXOMENPSA-N 437.471 5.173 30 20 IKED C=CCN1CCC(NC(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)c(F)c2)CC1 521655462 GAHZADIXVMHULV-UHFFFAOYSA-N 437.437 5.409 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1csc(Br)c1 521722574 IWOBTAUALWKLCL-LBPRGKRZSA-N 441.441 5.777 30 20 IKED COc1cc(-c2noc(CNc3ccccc3S[C@H](C)CC#N)n2)ccc1OC(F)F 521813465 ROYXTTIFXCWSTG-CYBMUJFWSA-N 446.479 5.353 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(C(=O)NC4CCCCC4)cc3)cc2)nc1 521954134 FDYBUGQIPWNVJG-UHFFFAOYSA-N 440.503 5.060 30 20 IKED Cc1nc(-c2ccc(CNC(=O)Nc3cccc(C#Cc4ccccn4)c3)s2)cs1 522073684 XBTPAQLZTVSEFB-UHFFFAOYSA-N 430.558 5.297 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCCCCN2CCCCC2)cc1 522092057 DJYXNDAOLTVSBD-UHFFFAOYSA-N 436.556 5.137 30 20 IKED C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 522432932 GVBFFEZGEDFQOT-HNAYVOBHSA-N 435.578 5.112 30 20 IKED C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 522432933 GVBFFEZGEDFQOT-KXBFYZLASA-N 435.578 5.112 30 20 IKED Cc1cccc(NC2CCN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)CC2)c1 524973197 PQZBFCNYPFJFFJ-UHFFFAOYSA-N 445.950 6.029 30 20 IKED CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccccc2Oc2ccccc2C#N)c1C 537551412 REPOCFFOOUFQKK-UHFFFAOYSA-N 449.532 5.063 30 20 IKED C[C@@](C#N)(CCc1ccccc1)NC(=O)c1ccc(Br)cc1C(F)(F)F 538456256 OFWKPVXAJXEHDT-SFHVURJKSA-N 425.248 5.113 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 541093365 ALMODKNMEIPRNH-DNVCBOLYSA-N 449.498 5.563 30 20 IKED O=C(N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)c1cc(O)nc2cc(F)ccc12 541111170 ATKTXRAVZYQHTI-MRXNPFEDSA-N 448.294 5.012 30 20 IKED COc1ccc([C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c2ccc(C)cc2)cc1 541440523 XVUIWJRIVUJIDY-AREMUKBSSA-N 425.532 5.339 30 20 IKED CN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 542181221 ZKTAYLGEHZDTGF-QGZVFWFLSA-N 426.360 5.636 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 543228361 UDQPWFUNGALIIT-UHFFFAOYSA-N 433.508 5.124 30 20 IKED COCCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC 543961249 QASVISAVALZVAY-VQTJNVASSA-N 430.548 5.671 30 20 IKED C=CCC[C@H](NC(=O)NC1CCN(c2nccs2)CC1)c1ccc(C(F)(F)F)cc1 543998465 LKVXCTPROQRISJ-SFHVURJKSA-N 438.519 5.137 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1sc(C)nc1C(F)(F)F 544678342 CVJTUBVWCKTMAD-UHFFFAOYSA-N 440.516 5.428 30 20 IKED N#Cc1ccccc1OCc1ccc(-c2nc(-c3ccc(Oc4ncccn4)cc3)no2)o1 545626879 IUFDYOUUZGZBHG-UHFFFAOYSA-N 437.415 5.030 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)N(CCC#N)C34CC5CC(CC(C5)C3)C4)c(C)c2c1 547621963 DXULMDVBBNNNPV-UHFFFAOYSA-N 432.564 5.588 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)CC1 548774813 RYGQPIIDMMTGSH-QHCPKHFHSA-N 449.526 5.277 30 20 IKED N#C[C@@H](C(=O)c1ncsc1C(F)(F)F)c1nc(-c2ccc(Cl)cc2Cl)cs1 549482110 LDALFQUTYQTWKF-VIFPVBQESA-N 448.278 6.082 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](C)[C@H]2OCCc3sccc32)cc1 550008117 CVJBPPPJVGUTOR-IQMFZBJNSA-N 434.517 5.309 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3[nH]c4ccc(Cl)cc4c3Cl)CC2)c(F)c1 553209465 ISHRMNRAKDORCJ-UHFFFAOYSA-N 432.282 5.169 30 20 IKED CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 568806510 ITOOACIAGGPBRI-OYHNWAKOSA-N 436.899 5.297 30 20 IKED CCCc1c(NC(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cnn1-c1cccc(C#N)c1 572849673 AKRSDEUJJBHKLO-HXUWFJFHSA-N 445.489 5.283 30 20 IKED C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 578528369 VYKHWOHRBXRBGS-HNNXBMFYSA-N 448.518 5.084 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(F)cc1OC1CCOCC1 582199559 GRHSPZPWXKAMQF-HNNXBMFYSA-N 429.517 5.279 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc([C@@H](CC)c2ccccc2)o1 589891565 QAHLIPARPHAUFK-LPHOPBHVSA-N 427.595 5.368 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc(Cl)c1OCCC(C)C 592973575 HSQIACJNBMFNFX-HNNXBMFYSA-N 446.931 6.012 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)cc1 596385706 HBONLLYVMOAZKG-UHFFFAOYSA-N 439.515 5.786 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2n[nH]c(/C=C/c3ccccc3)n2)c1 598953319 RCDCGIBDHXPEIN-VYENPZKTSA-N 431.565 5.019 30 20 IKED CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 603262902 MBOSQSNKAPOPFL-UHFFFAOYSA-N 443.572 5.631 30 20 IKED Cc1cc(C)c(C(=O)CCCC(=O)N[C@@H](C#N)c2ccccc2Br)c(C)c1 603471143 LYTAGZZKTPGGSA-IBGZPJMESA-N 427.342 5.108 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(COc4ccc(F)cc4)o3)cn2)c1 603622267 QHSZNVZADJBEKD-UHFFFAOYSA-N 429.407 5.309 30 20 IKED COCc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)oc2ccccc12 603759157 VKQJCRMTDAHEHP-FQEVSTJZSA-N 430.891 6.140 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc1 603928314 NOINPPRIBFGSKD-QHCPKHFHSA-N 444.556 5.661 30 20 IKED C[C@@H](Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cn1)c1ccccc1 604005404 CAKDGUZBPQJEQQ-UZLBHIALSA-N 426.501 5.230 30 20 IKED O=C(NCC1(c2cccc(F)c2)CC1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 606926308 QIKDREZFCQAOHS-NHAGDIPZSA-N 426.376 5.066 30 20 IKED C=CCn1c(SCC(=O)NC[C@H](C)c2cccc(C)c2)nnc1-c1ccc(Cl)cc1 607325652 JRQSYWCJZGVPEW-KRWDZBQOSA-N 441.000 5.105 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)cc1 608841068 JPUIRBLJXBFWSA-FTJBHMTQSA-N 441.531 5.373 30 20 IKED Cc1cc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)n(-c2cccc(Cl)c2)n1 609055327 CZIYRGCQKNFATC-UHFFFAOYSA-N 432.867 5.130 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 609141881 OHKULBMHCJVTRF-UHFFFAOYSA-N 434.499 5.295 30 20 IKED N#C[C@H](NC(=O)c1cc(-c2cccc(F)c2)no1)c1ccc(OCc2ccccc2)cc1 609173383 PRQWLMXCLNMBDX-QHCPKHFHSA-N 427.435 5.054 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCO4)c2)cc1 609208633 ARNXFXCCDHVNQC-JOCHJYFZSA-N 427.460 5.448 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 609377582 YJVKIURMSLSRSI-CYBMUJFWSA-N 449.523 6.138 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 609403092 SAMMAQZGMWPLFJ-QVKFZJNVSA-N 442.009 6.564 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 609427532 HKEMPHBYMAWCQC-CQSZACIVSA-N 437.546 5.114 30 20 IKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 609504115 XIMJRUKSEDFUJG-FQEVSTJZSA-N 449.510 6.446 30 20 IKED C[C@H](c1ccccc1)N1CCC(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 609711663 JQIAHFPBOUSEPN-LJQANCHMSA-N 441.535 5.093 30 20 IKED Cc1cc(S(=O)(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C)cc1Br 609733702 OHSDVYPYFCJLTR-AWEZNQCLSA-N 439.400 5.261 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)N(C)Cc1ccc(C#N)cc1 610163398 LSBPVDOVNMUDCT-UHFFFAOYSA-N 427.483 5.223 30 20 IKED Cc1cc(C)c(C[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)C(F)(F)F)c(C)c1 611118358 VQGHFLUOUMWTSU-RBSFLKMASA-N 449.357 5.532 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)nnc1-c1ccccc1F 613388097 LJBSWKFIERNAGJ-HUUCEWRRSA-N 444.963 5.282 30 20 IKED CCN(C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H](C)c1ccc(F)cc1 616090189 OLWYUXDGZDBZED-UYHMYPTGSA-N 428.392 5.828 30 20 IKED C[C@H](CC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 619620673 JOAQUKIPICLTIV-LERXQTSPSA-N 449.357 6.225 30 20 IKED Cc1sc(Br)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1C 619649270 ZRGWQHJMHAIKBU-UHFFFAOYSA-N 428.311 5.439 30 20 IKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 619666945 XRCBINCUCDPCPS-OXQOHEQNSA-N 433.430 5.088 30 20 IKED Cn1ncc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1Cc1ccccc1 683689870 QWJXWNTWNOCUMR-HNNXBMFYSA-N 440.450 5.129 30 20 IKED O=C(N[C@H](c1cc(F)ccc1F)C(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 683961305 MAAKHKPVZZUMKH-RGNHYFCHSA-N 440.281 5.043 30 20 IKED C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1Cc2cccc(Br)c2C1 685545715 JHKGDWZPDJQESF-AWEZNQCLSA-N 443.320 5.026 30 20 IKED CC(C)OCc1c(C(=O)OCCOc2c(C#N)cnc3ccccc23)oc2ccccc12 726363390 PITPPIXQPPWDOJ-UHFFFAOYSA-N 430.460 5.013 30 20 IKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1C1CCCC1)c1cccs1 726418948 GBUMELWTULCKIP-UNJCWQMKSA-N 445.585 5.220 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2sc3ccccc3c2C)[n+]2ccccc2)c1 726572853 PYMIFOSVPUEAQQ-UHFFFAOYSA-O 427.574 5.802 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnc(Cc3ccc(F)cc3)s2)cc1 727234048 XQBSBGAWHNFSQD-MGPUTAFESA-N 435.524 5.348 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1 727589168 LPPSCWUBCZTYTF-XUZZJYLKSA-N 433.458 5.226 30 20 IKED C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 728466061 OIAVDKXXCUVGRN-FNZWTVRRSA-N 447.538 6.139 30 20 IKED CC(C)N(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(N2CCOCC2)cc1 728474364 ZOTWNBOHRQPELG-UHFFFAOYSA-N 441.531 5.242 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 729403707 KSOACJXKXBLFQO-UHFFFAOYSA-N 429.476 5.950 30 20 IKED Cc1nn(-c2ccccc2)c(Cl)c1CSCC(=O)Nc1cc(Cl)ccc1C#N 729855256 OQVWNGPLYQWKRQ-UHFFFAOYSA-N 431.348 5.231 30 20 IKED Cc1cc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc(C)c1OCc1cccnc1 731195751 NRMYQBNHJVQVMN-FQEVSTJZSA-N 440.330 5.579 30 20 IKED Cc1csc(SCc2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)n1 731349801 SHJBPPKPMKFLEW-INIZCTEOSA-N 439.631 6.390 30 20 IKED N#CCOc1ccc(CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)cc1 731977271 FXWXWRGOTUFBIV-HSZRJFAPSA-N 425.315 5.344 30 20 IKED CN(C(=O)c1ccccc1NC(=O)Nc1cccc(OCCCC#N)c1)C1CCCCC1 733624031 CAYCVLWEPMZETC-UHFFFAOYSA-N 434.540 5.418 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](Cc2ccccc2)c2ccccc2)ccc1OC 733639858 HZALHIJDBKZMED-BJKOFHAPSA-N 443.547 5.159 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)ccc1OC 733652408 CFDNWZNUGJQCFD-QGZVFWFLSA-N 436.512 5.137 30 20 IKED C=CC[C@@H](NC(=O)N(Cc1cc(Br)ccc1OCC)C1CC1)c1ccncc1 734683754 PWXZIUONCUPELT-HXUWFJFHSA-N 444.373 5.234 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)c1 734947121 NVJVNFXHQOZRBN-PZJWPPBQSA-N 429.973 5.021 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 735208519 YOGXPUDBKBFHGZ-NRFANRHFSA-N 443.890 5.528 30 20 IKED CC(=NN=c1cc(C(F)(F)F)[nH]c(-c2ccncc2)n1)[C@H]1C[C@H]1c1ccccc1Cl 735976562 OGYRSNHVCAIKNZ-CVEARBPZSA-N 431.849 5.224 30 20 IKED C[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1cccc(C(F)(F)F)c1 739161078 XEWDCYLWNSAWMG-LIRRHRJNSA-N 439.462 6.071 30 20 IKED CC(C)(C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc([N+](=O)[O-])cc1 740539839 VRXBRJDNHQZEKA-AWEZNQCLSA-N 427.432 5.151 30 20 IKED COCC[C@@H](Cc1cccc(Br)c1)C(=O)[C@@H](C#N)c1nc2ccccc2s1 741426683 HPYAEWHOTFOFRJ-DOTOQJQBSA-N 443.366 5.130 30 20 IKED COc1ccccc1-c1ccc(C(=O)/C=C/c2cc(Br)c(O)c(OC)c2)cc1 741470604 SUHRMSOJSITUMJ-KPKJPENVSA-N 439.305 5.735 30 20 IKED CCN(C(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 742575917 JTWSGRNUXOQBLW-DNVFCKCGSA-N 435.568 5.370 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)NCC[C@@H](C)c2cccc(C(F)(F)F)c2)c1 746416850 AGXNTFCNSSUEKE-OXQOHEQNSA-N 433.474 5.379 30 20 IKED O=C(/C=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(N2CCOC2=O)cc1 748583889 KGEXPUBQSDXHDA-QQDOKKFESA-N 448.406 5.379 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nc(C4CC4)no3)cc2)cc1 751825826 CFWQLADBEQUVRN-YCRPNKLZSA-N 428.492 5.089 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 752047050 YXFUQRASDRSGPC-UODIDJSMSA-N 436.511 5.053 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc3ccccc3c2O)cs1 757474192 KIARSXVHHWEVTD-UVTDQMKNSA-N 428.513 5.891 30 20 IKED N#CCCn1ncc(C(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)c1-c1ccccc1 759174304 RMGDTEMKVSAORG-IBGZPJMESA-N 438.453 5.112 30 20 IKED Cc1ccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccc3c(c2)CCCC3)c(C)c1 762438303 NJLMWMVIGVDSGP-UHFFFAOYSA-O 440.592 5.665 30 20 IKED N#C[C@H](C(=O)c1sc(N2CCCC2)nc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 764757292 ZWNQSBUCTHIBTR-CYBMUJFWSA-N 449.388 5.664 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1 768223817 FCXRLUJFPSCNLH-UHFFFAOYSA-N 432.524 5.222 30 20 IKED CCN(C(=O)c1cc(NC(=O)OC)cc(C(F)(F)F)c1)c1ccc(C#N)c(Cl)c1 774148039 MGBNRVVGVFFYBX-UHFFFAOYSA-N 425.794 5.075 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H](C)c2cc3cc(Br)ccc3o2)ccc1OC 776164715 JRZTUCFMMNCCSV-RDTXWAMCSA-N 443.341 5.736 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(Br)cc2C(F)(F)F)c1 776323131 SJIWLMZUQKBJCG-CQSZACIVSA-N 441.247 5.079 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 777296784 MZWDUHKDJLONFS-IAGOWNOFSA-N 445.972 5.429 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NCc1cccc(OCCCC#N)c1 778217661 JERNSGQCTMLZEQ-DEOSSOPVSA-N 435.568 5.883 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(OCc4ccccc4)ccn3)n2)cc1 779194243 LVQAZXIFKOQFBI-OAQYLSRUSA-N 436.496 5.146 30 20 IKED C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(-c2ccco2)nn(CN2CCC(C)(C#N)CC2)c1=S 779880266 ZEJNXDXYKMVDES-CADBVGFASA-N 425.602 5.254 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1oc2ccccc2c1CSc1ncccn1 780154672 XVGZXLFRBZUOEB-HNNXBMFYSA-N 430.489 5.058 30 20 IKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC[C@H]2c2nc(C)no2)c1=S 795751654 GMMBNKKVRDZFDS-IBGZPJMESA-N 438.601 5.051 30 20 IKED N#C[C@H](C(=O)c1cnn(Cc2ccccc2)c1Cl)c1nc2cc(Cl)ccc2s1 796810004 CYWYCJJJUOJBKB-CQSZACIVSA-N 427.316 5.338 30 20 IKED C[C@H](C#N)OCCSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1 801655215 SRULMEITERVCQP-CQSZACIVSA-N 436.924 5.626 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(Br)c2Cl)cc1C#N 801946954 RAFHCKZGQYCZIR-UHFFFAOYSA-N 437.681 5.187 30 20 IKED CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCCc3c2[nH]c2ccc(Br)cc32)c1 808707482 QBHRLIPCPRTROL-JTSKRJEESA-N 438.369 5.779 30 20 IKED C[C@@H](C#N)Oc1ccc(CN(CCCn2ccnc2)Cc2c(F)cccc2Cl)cc1 809728170 NRLBUROIVUSPQW-SFHVURJKSA-N 426.923 5.059 30 20 IKED CC(C)(C)OC(=O)NCCC[C@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1 810261219 CNUVJNIMQXZMMN-VWLOTQADSA-N 448.611 5.163 30 20 IKED N#Cc1cc(Oc2ccc(NC(=S)Nc3cccc(Br)c3)cc2)ccn1 811708459 YYXIDOSDIVVGFT-UHFFFAOYSA-N 425.311 5.317 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 914539274 NVEYGFVQWAJKJS-VWLOTQADSA-N 428.557 5.295 30 20 IKED N#C[C@@H](C(=O)Cc1csc(Cc2ccccc2)n1)c1nc(-c2ccc(Cl)cc2)cs1 915101739 KMKXAIVVSPPPAY-IBGZPJMESA-N 449.988 5.930 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1 915106242 ABHWQBRLYGQDQO-OAHLLOKOSA-N 426.423 5.268 30 20 IKED COCc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)sc2cccc(F)c12 915107993 ZVGQLPQRMNWEMD-NSHDSACASA-N 429.423 5.422 30 20 IKED CCn1c(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nc2ccccc21 915928262 IJMWYWGFIYCVNP-FQEVSTJZSA-N 443.938 5.687 30 20 IKED N#Cc1ccccc1/C=C\C(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 916070019 ZFOPIEOYYLJAQZ-YVMONPNESA-N 425.366 5.074 30 20 IKED Cc1nc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)sc1SCC#N 916089381 DCAHEULEEFBBFM-UHFFFAOYSA-N 434.521 5.674 30 20 IKED FC(F)Oc1ccc2ccccc2c1C=Nn1c(S)nnc1-c1ccccc1Cl 916278483 RDEPLVJOKPJRBI-UHFFFAOYSA-N 430.867 5.524 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3sc(C)nc3-c3cccs3)n2)cc1 916972289 MOUBBEYRTSGMGA-MRXNPFEDSA-N 435.599 6.031 30 20 IKED COc1cc([C@@H]2N(C)c3ccccc3C(=O)N2c2ccccc2Cl)ccc1OCC#N 917503310 FNIHODZIIITPBW-HSZRJFAPSA-N 433.895 5.046 30 20 IKED CS(=O)(=O)c1ccc(/C=C\C(=O)c2ccc(-c3ccccc3Br)s2)cc1 918156951 YBEIYGIUBIDGLM-FLIBITNWSA-N 447.375 5.477 30 20 IKED N#C[C@H](C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccc2ccccc2n1 920106102 KNEIKBRNTTYCMN-QFIPXVFZSA-N 445.478 5.652 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1nc(-c2ccncc2)cs1 920267849 KSJJWRWBHBIXHQ-CYBMUJFWSA-N 442.978 5.462 30 20 IKED COc1ccccc1-c1nnc(S)n1N=Cc1ccc(Oc2cc(F)cc(F)c2)cc1 921255052 IXZNHMIOBJLHCX-UHFFFAOYSA-N 438.459 5.195 30 20 IKED CSc1nc(O)c(C(=O)N(Cc2ccc(-c3ccc(F)cc3)s2)C(C)C)cc1C#N 1351339629 CXUWLLVZTHTYLT-UHFFFAOYSA-N 441.553 5.299 30 20 IKED CSc1nc(O)c(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)cc1C#N 1361041364 WIMCPIBFUVTJRH-UHFFFAOYSA-N 449.426 5.009 30 20 IKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](S)C(C)C)cc3)CCC2)cc1Cl 1786395864 LNQFTKUPQRMOEQ-FQEVSTJZSA-N 447.000 5.051 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4[nH]c(C)cc4c3)CCC2)cc1 1790568349 WYHKEAGMHBGXMU-SFHVURJKSA-N 446.551 5.025 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)/C=C/c3cccc(OC)c3)cc2)CCC1 1791390594 NIBMHXCCHQGTFB-SFQUDFHCSA-N 430.548 5.036 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)C34CC(C(F)(F)F)(C3)C4)CCC2)cc1 1791726193 FVCQULFPOSDPFV-UHFFFAOYSA-N 432.486 5.047 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc(-c3ccccc3)s1)C2 1792572771 ICKAUOPVCPUSRU-ACDBMABISA-N 437.609 5.054 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2F)[nH]n1 1814823879 AZBXMYYJJLVKAV-FQEVSTJZSA-N 444.938 5.277 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nc(C(C)C)cs2)n[nH]1 1816061848 GPPFWKPTAROMHI-VQIMIIECSA-N 441.601 5.064 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CSc2c(C)cccc2C)n[nH]1 1819590262 OLNCZTLBXBDTEZ-AZUAARDMSA-N 440.613 5.023 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccccc3)CC2)CC1 1823778252 QTXMVGKGINKCQE-VWLOTQADSA-N 434.624 5.106 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CSC2CCCC2)CC1 1824475365 UDDXGJVTUWEBQW-QFIPXVFZSA-N 434.690 5.274 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CC=CCC2)CC1 1828903786 LDYWXNGZBOUKLM-RPWUZVMVSA-N 442.720 5.014 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1 1829069937 CLVGRYUKRSTRGT-GNLZIIPMSA-N 428.661 5.425 30 20 IKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 1831851754 VXZVDBQSIBDXAZ-OAQYLSRUSA-N 435.395 5.030 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc(C)cc(F)c2)CC1 1831949898 GZMAZKVAXCWLKU-VWLOTQADSA-N 440.603 5.065 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCc1ccc(C)c2ccccc12 1847533818 FGBNQIBWEMMWGI-UIOOFZCWSA-N 430.592 5.051 30 20 IKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2cccc(O)c2)c(Cl)c1 10178784 YWOMIGYFABHFOE-UHFFFAOYSA-O 447.914 5.279 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(F)cc3)n2)nc2sc3c(c2c1=O)CCC3 25719817 LYKGTPIRYLHXPF-UHFFFAOYSA-N 439.537 5.219 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OC(C)C 60477680 QPPNNCVEQWZTMC-QGZVFWFLSA-N 426.925 5.749 30 20 IKED N#Cc1cccc(COc2cccc(CNC3(c4ccc(Br)cc4)CC3)c2)c1 303236752 ZVALCMRMEGQGAM-UHFFFAOYSA-N 433.349 5.679 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccnc(Oc4ccccc4Cl)c3)CC2)cc1 432168625 YTUSOEVOFOLIOU-UHFFFAOYSA-N 448.910 5.474 30 20 IKED N#C[C@H](NC(=O)c1ccc(Br)c(Cl)c1F)c1cccc(C(F)(F)F)c1 436027349 MDFODUQKLBFEMC-LBPRGKRZSA-N 435.602 5.255 30 20 IKED CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 437468803 PRJCMBUXBKUTPB-OAHLLOKOSA-N 449.507 5.567 30 20 IKED N#Cc1cc(NC(=O)C(=O)Nc2ccc(OC3CCCC3)cc2)ccc1Oc1ccccc1 437541273 VOSFBXGZBQBBGU-UHFFFAOYSA-N 441.487 5.249 30 20 IKED COc1cc(C)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cn1 437772134 JNOGTPQRCVPHQQ-FCHUYYIVSA-N 442.519 5.495 30 20 IKED CC[C@](C)(NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1nc(C)cs1 437954215 KDQXWAGUZTULJK-QHCPKHFHSA-N 438.528 5.488 30 20 IKED CN1CCC[C@@H](CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@@H]1c1cccs1 438032220 WHOREQSYFDPLCX-YADARESESA-N 446.576 5.617 30 20 IKED Cc1nc(-c2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2)cs1 440682542 PMRNHVMXKUYYPA-UHFFFAOYSA-N 439.540 6.016 30 20 IKED CC(C)(C)[C@H]1CN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c2ccccc21 443870518 SWCRYHJENWRLJR-IBGZPJMESA-N 444.535 5.199 30 20 IKED Fc1ccc(-c2nc(CN[C@@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)co2)cc1 444733573 LKYDHEIHSUCVHC-KRWDZBQOSA-N 432.339 6.283 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1cccc(F)c1 447034467 RRUPSSHVWQOZRB-UZUQRXQVSA-N 447.535 5.064 30 20 IKED CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccccc1Cl 460721049 QUCBTWSLAIKQCA-QFIPXVFZSA-N 435.959 5.238 30 20 IKED C[C@H](NC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1)c1ccc(-c2cccc(C#N)c2)cc1 460886734 WWRNXINGFLBNLR-WQTXXOFMSA-N 429.486 6.049 30 20 IKED Cc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)cc1 464280788 HCNUITCUUJCKFH-UHFFFAOYSA-N 439.393 5.255 30 20 IKED Cc1noc(C)c1CSc1ccccc1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 464411211 LTAHPKXSCBOPCN-INIZCTEOSA-N 431.439 5.488 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2ccc(F)cc2F)n1)c1nc(-c2c(F)cccc2F)cs1 464509694 ZKPFGCLICUFAST-LBPRGKRZSA-N 442.397 5.042 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1nnc(-c2ccccc2)s1 467298398 NURJKQVKLLAQGD-HNNXBMFYSA-N 440.619 5.329 30 20 IKED N#Cc1ccc(CN(C(=O)N[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)C2CC2)cc1 468160093 PIIJTDIOMYTXOO-OAQYLSRUSA-N 446.551 5.572 30 20 IKED N#Cc1cc(F)ccc1NC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 468182277 HLBDATOWYUWLPR-UHFFFAOYSA-N 428.389 5.345 30 20 IKED Cc1cnn(Cc2ccccc2F)c1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 470202483 YVONSBHGYIRVNS-UHFFFAOYSA-N 440.478 5.082 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)cc1 470493554 VRBNDVFZCHFCJS-HXUWFJFHSA-N 440.547 5.446 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)o1 475217307 DJMUPRYJSRMLSD-HXUWFJFHSA-N 427.460 5.239 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](c1cnn(C)c1)C(C)(C)C 483621531 JPEZHZGFGKSFKQ-QHCPKHFHSA-N 431.540 5.088 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1cc(C)c(F)cc1F 484732205 WSEJGCDVYKHBIM-UHFFFAOYSA-N 449.910 5.258 30 20 IKED COc1ccc(C)cc1CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 487442860 IYBWNPXDTGOLET-UHFFFAOYSA-N 445.466 5.123 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H]2CCCCC(F)(F)C2)cc1 490740022 HVKWLSOISWXECP-IBGZPJMESA-N 427.495 5.669 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1 494078948 MMMYTCXZBIANAZ-OAOOKAIFSA-N 431.565 5.328 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc23)cc1 495156004 GRPKUVZSNBDCTR-AWEZNQCLSA-N 440.956 5.315 30 20 IKED N#CCN(C(=O)c1c2c(nc3ccccc13)/C(=C\c1c(F)cccc1Cl)CC2)C1CC1 495504392 UPOCNBKNWSLANZ-PFONDFGASA-N 431.898 5.642 30 20 IKED C=CCN(C(=O)CSc1ccc(OC)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 498717108 PWWBWHPRPQLFLF-UHFFFAOYSA-N 441.534 5.038 30 20 IKED CCCN(CCC)C(=O)c1cccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c1 503561152 HQKCDWVWUYKTGQ-SFHVURJKSA-N 438.478 5.184 30 20 IKED Cc1cccc2[nH]cc(CCNC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c12 503768160 FUHKKHCKRZJTIL-UHFFFAOYSA-N 440.522 5.442 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)o1 505591866 DLMPYAMXYZMKEO-HKUYNNGSSA-N 426.394 5.035 30 20 IKED C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(c2nc3ccccc3s2)CC1 508839909 IQXDNSCGWBRYPQ-UHFFFAOYSA-N 446.536 5.033 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCCC[C@@H]1c1ccncc1 510874275 YPOMNDHXJRSZLC-RUZDIDTESA-N 426.520 6.203 30 20 IKED Cn1c([C@H](C#N)C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)nc2ccccc21 513671741 LSHZTKCLXYZXGC-LJQANCHMSA-N 436.446 5.524 30 20 IKED COc1ccc(NC(=O)[C@H](Sc2nc3c(cc2C#N)CCCC3)c2ccccc2)cc1 514737150 SWFJNONSXGOXJJ-HSZRJFAPSA-N 429.545 5.313 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Oc2ccccc2)nc1 518668449 CQDQJQDQFXRIBQ-UHFFFAOYSA-N 443.450 6.151 30 20 IKED CCOc1cc2c(cc1NC(=O)c1ccc(Oc3ccc(CC#N)cc3)cc1)O[C@@H](C)C2 518885433 OCHGHJPGFVCGJD-KRWDZBQOSA-N 428.488 5.519 30 20 IKED COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)N(C)C[C@@H](C)C#N)cc1 519366683 LHVLELQCXORBRN-BAOGPQIGSA-N 425.532 5.352 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 519434043 LEMNDBBKLJVQSN-LRTDBIEQSA-N 443.981 5.159 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N(CCc3ccccc3)Cc3ccncc3)cc2)nc1 520328223 SVTQHKTVFXHXJG-UHFFFAOYSA-N 434.499 5.026 30 20 IKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 521496697 UTBJPFGZKFZACV-GOSISDBHSA-N 445.544 5.358 30 20 IKED CCCN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)[C@@H](C)C(=O)Nc1ccccc1 522873960 ABZLKIMLNKDJSH-FQEVSTJZSA-N 441.531 5.017 30 20 IKED N#C[C@@H](NC(=O)CCCc1nc2ccccc2s1)c1ccc(OCc2ccccc2)cc1 524332547 IFMSZWCDWGUEFN-HSZRJFAPSA-N 441.556 5.579 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1NC(=O)Nc1ccccc1 524999851 AEOLPLSMBBQVOV-GOSISDBHSA-N 438.409 5.543 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N[C@H]3C[C@H]3c3c(F)cccc3Cl)s2)cc1 525439756 JAORXBFJEHDZTE-QAPCUYQASA-N 426.904 5.076 30 20 IKED CCc1csc(-n2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)cn2)n1 535681865 SWSXVNXUJRJCIC-UHFFFAOYSA-N 429.505 5.116 30 20 IKED N#C[C@H](NC(=O)c1ccccc1COc1ccccc1)c1ccc(OC(F)(F)F)cc1 535782666 INVDQBCUTKKIOR-NRFANRHFSA-N 426.394 5.159 30 20 IKED CC(C)Sc1ccc([C@H](C)NCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 537102453 CHOSLGRSOBFWIU-MSOLQXFVSA-N 427.639 5.728 30 20 IKED Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)c1C 539255771 IVVNNPDORSURDT-HNNXBMFYSA-N 438.329 5.006 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc3cc(C)cc(Br)c3o2)cc1 542014599 AYWDHNSMNSVBLZ-UHFFFAOYSA-N 428.286 5.064 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)c1ccc(COc2ccc3ccccc3c2)o1 542287329 RXZNUZNAAUOJGH-UHFFFAOYSA-N 442.471 5.161 30 20 IKED N#Cc1ccc(CN(C(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)C2CC2)cc1 543223312 YTVINGAVASWCSJ-UHFFFAOYSA-N 440.528 5.045 30 20 IKED CNC(=O)c1ccc(Cl)c(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 543875616 HJXYXWDLARKPPB-HNNXBMFYSA-N 432.911 5.121 30 20 IKED CN(Cc1noc(-c2cccc(Oc3cccc(Cl)c3C#N)c2)n1)C(=O)c1ccccc1 546444254 XBZNXJYPLITHNC-UHFFFAOYSA-N 444.878 5.326 30 20 IKED C=C(C)Cn1c(SCc2nc(CCCc3ccsc3)no2)nnc1-c1ccco1 546507222 GEAWIPITFFNJPI-UHFFFAOYSA-N 427.555 5.026 30 20 IKED N#Cc1ccc(Oc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)c2ccccc12 549292969 BRTCKBJAJYMYNJ-UHFFFAOYSA-N 442.784 5.117 30 20 IKED C=C(C)[C@@H](NC(=O)N[C@@H](c1cncc(Br)c1)C1CC1)c1ccc(F)c(F)c1 551295476 VOYVPCSGHCGMJV-RTBURBONSA-N 436.300 5.190 30 20 IKED Cc1nn(-c2ccccc2)cc1CCCNC(=O)Nc1ccccc1S[C@H](C)CC#N 553664843 DQHBMJQBOUJQAI-GOSISDBHSA-N 433.581 5.329 30 20 IKED CN(C(=O)Nc1ccc(F)cc1OCCC(F)(F)F)[C@H]1CC[C@@H](C(F)(F)F)CC1 554760216 QYLDUTONMRPAHS-BJHJDKERSA-N 430.364 5.742 30 20 IKED CN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1 554793291 GZZHSBLPJIHMBE-UHFFFAOYSA-N 437.849 5.049 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCC([C@H](F)c3ccccc3F)CC2)c1 557080306 ZKAZCFGNQCONHF-QHCPKHFHSA-N 436.458 5.432 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(F)cc3OC3CCOCC3)c2)c1 557503581 NVARJJNAGOPVPN-UHFFFAOYSA-N 446.478 5.086 30 20 IKED CC(C)(C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)c1cc(F)cc(C#N)c1 560590982 FERPUNZOYWCJBI-UHFFFAOYSA-N 449.353 5.490 30 20 IKED CN(Cc1nc(-c2cccs2)no1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 562222104 YPBWBGMTIJLTFT-UHFFFAOYSA-N 449.467 5.265 30 20 IKED Cc1nc2cccc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)c2[nH]1 569747876 AYQCNMWOVDUOSI-UHFFFAOYSA-N 441.438 5.061 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N(Cc3ccccc3)c3ccccc3C#N)CC2)c(F)c1 571081697 JQYNJSKMWKVABG-UHFFFAOYSA-N 438.506 5.019 30 20 IKED N#Cc1cc(Br)ccc1CNc1ccccc1NC(=O)Cc1cccs1 575160865 YEEOMSXRGVDKFO-UHFFFAOYSA-N 426.339 5.176 30 20 IKED COc1cccc(OC(F)(F)F)c1CNC(=O)Nc1ccccc1S[C@H](C)CC#N 576968562 ZDACSAHETHZZBG-CYBMUJFWSA-N 439.459 5.310 30 20 IKED CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 579888797 NKQIMBBMEHOSFH-UHFFFAOYSA-N 431.801 5.694 30 20 IKED C=CCOc1cccc(NC(=O)N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)c1 591502283 VUHMSJDGEQTVFQ-UHFFFAOYSA-N 432.520 5.503 30 20 IKED C=CCn1c(SCc2nc(-c3ccoc3)no2)nnc1-c1ccc(Cl)cc1Cl 591772862 ZPILQLPNSDDUQD-UHFFFAOYSA-N 434.308 5.373 30 20 IKED C=CCN(C(=O)Nc1ccc(-c2ccccc2)cc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 596354633 UGTDHQXTNFHKLW-FQEVSTJZSA-N 438.535 5.419 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CC[C@@H]1Cc2ccccc2NC1=O 603533270 YWRJBUHJAIUESJ-JOCHJYFZSA-N 441.506 5.130 30 20 IKED C[C@H](C#N)CN(C)C(=O)NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 603746195 XTGWLQMPVKKKKR-RDTXWAMCSA-N 429.351 5.408 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(NC(=O)C4CCCCC4)c3)cn2)cc1 603763477 BCILEFUTPGYZKT-UHFFFAOYSA-N 440.503 5.517 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1 603940407 BJQKJRTVCIMHJR-UHFFFAOYSA-N 446.942 5.182 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(-n2cc(Br)cn2)cc1 603968995 SXVHVNOJEBGUTQ-UHFFFAOYSA-N 449.333 5.487 30 20 IKED CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 604090613 ZAYCTRHARIFNMP-HNNXBMFYSA-N 448.910 5.845 30 20 IKED N#C[C@@H](C(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1)c1ccccn1 605257599 RWBKLIVQNNPIIS-MRXNPFEDSA-N 425.275 5.522 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)cc(Cl)c1OCCC(C)C 605363166 MNVHHFKXVWWJPE-MRXNPFEDSA-N 425.916 5.448 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)COc1ccccc1OCC(F)(F)F 609010945 LNWCEDMZOOIHED-UHFFFAOYSA-N 432.423 5.245 30 20 IKED COc1ccc(S[C@@H](C)C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 609173538 SPUOBPILABAPMW-MHECFPHRSA-N 432.545 5.136 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3cccc(OCc4cccc(F)c4)c3)CC2)c1 609207331 QGDZELJKLXUVIN-UHFFFAOYSA-N 445.494 5.352 30 20 IKED COc1ccc(S[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 609378160 SLQRHHXFZCWTIY-ZDUSSCGKSA-N 440.512 5.839 30 20 IKED Cc1ccccc1[C@H](C)NC(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 609386959 APJTUXRPSZBJEM-HOTGVXAUSA-N 435.515 5.697 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(Cc2cccc3ccccc23)CC1 609401901 JBXNMFNDXWOEML-FQEVSTJZSA-N 444.604 5.441 30 20 IKED Cc1cccc(Oc2ncccc2NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1C 609504312 MCZSXPFONYADGN-UHFFFAOYSA-N 436.471 5.802 30 20 IKED C=CCN(C(=O)C[C@H](C)c1cccc(F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 609694372 DMUKPFCUMPGNPM-HNNXBMFYSA-N 425.485 5.570 30 20 IKED Cc1cc(F)ccc1N(Cc1ccco1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 609986539 DDIMIKJALBYKFI-UHFFFAOYSA-N 438.402 5.013 30 20 IKED CS[C@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1ccccc1 610040573 XFLDZVCJQBDPRF-SFHVURJKSA-N 447.507 5.667 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H](CSc4ccccc4)C3)cn2)c1 610321135 IAKCBMYDNYMQAZ-LJQANCHMSA-N 430.533 5.392 30 20 IKED Cn1ccnc1C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1 610325242 OHZFYCBCZDMXLO-XMMPIXPASA-N 437.503 5.190 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)c2)cc1 610632419 UCBVWDJRQXMBOH-CALCHBBNSA-N 443.347 5.555 30 20 IKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)c1c(Cl)cc(C#N)cc1Cl 611093785 DRCJBKFAWOFAGK-UHFFFAOYSA-N 429.278 6.144 30 20 IKED C[C@@H](NC(=O)N1CCC2(CC1)OCc1ccccc12)c1ccc(-c2cccc(C#N)c2)cc1 611856275 QUPJHTIYZJQGFC-HXUWFJFHSA-N 437.543 5.517 30 20 IKED N#Cc1ccc(Cc2cnc(NCc3cn4cccc(F)c4n3)s2)c(C(F)(F)F)c1 612625452 IOQDJJJRUPFFES-UHFFFAOYSA-N 431.418 5.023 30 20 IKED COc1ccc(F)cc1[C@H](C)NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 612806452 ZBLQBIVCNWPVAC-DCAQKATOSA-N 430.364 5.104 30 20 IKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1 613291148 UTVVVDYOBVOGHP-HSZRJFAPSA-N 444.494 5.586 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cc(Br)c(F)cc3F)cn2)c1 617462790 HKEWEASUADAJMT-UHFFFAOYSA-N 430.208 5.039 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OCc4ccccc4)cc3)n2)cc1 619756496 FSNHQXNXCJCHLU-QHCPKHFHSA-N 435.508 5.751 30 20 IKED C=CCOc1c(Br)cc(CN[C@H](C)c2ccccc2C(F)(F)F)cc1OC 619775784 WJGZOEVZPXGPMD-CYBMUJFWSA-N 444.291 5.892 30 20 IKED C=CCn1c(SCC(=O)NC2(c3ccccc3)CCC2)nnc1-c1ccc(Cl)cc1 642012876 FCGUMNITOMYNIQ-UHFFFAOYSA-N 438.984 5.072 30 20 IKED C[C@H](NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(OC(F)(F)F)cc1 674424070 GHAGZIDLUBQXPC-UWJYBYFXSA-N 438.290 5.028 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)CCCOc1cccc(Cl)c1Cl 726754644 PEAZQEJZXKSDNF-UHFFFAOYSA-N 428.319 5.288 30 20 IKED COc1cccc(C(=O)/C(=C\c2cc(C)c(OCc3ccccn3)c(C)c2)c2ncc[nH]2)c1 729240713 XQYBFHQZJXQRBL-BUVRLJJBSA-N 439.515 5.433 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)c1 732943946 TWINPQWNSPUSHO-UHFFFAOYSA-N 430.464 5.047 30 20 IKED COc1ccccc1CC(C)(C)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 733052923 UJUUWYLKVPMTGB-OAHLLOKOSA-N 432.467 5.769 30 20 IKED N#CCOc1ccc(CC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)cc1 733233915 DNPWDHISAPJHOR-UHFFFAOYSA-N 445.372 5.115 30 20 IKED Cc1nn(C(F)F)c(C)c1CC(=O)O[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 733709074 JCDKQBCLSOYPGX-SNVBAGLBSA-N 444.322 5.780 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c1 733805721 DMADRWAVKPCZAD-UTKZUKDTSA-N 432.351 5.721 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2ccc(F)cc2)c2ccc(OC)cc2)c1 733806583 KOTBAVKPESYMNF-WIOPSUGQSA-N 447.510 5.104 30 20 IKED O=C1/C(=C/c2nccn2Cc2ccccc2)CCC/C1=C\c1nccn1Cc1ccccc1 734095620 DLSGHNFDWVFQBV-SIHVKLMXSA-N 434.543 5.396 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)c1 734947115 NVJVNFXHQOZRBN-CTNGQTDRSA-N 429.973 5.021 30 20 IKED N#CCOc1ccc(Cl)cc1CSc1nnc(N2CCCCC2)n1-c1ccccc1 735230858 SNQVSPLGMJFLNN-UHFFFAOYSA-N 439.972 5.106 30 20 IKED COCCOc1c(Cl)cccc1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740443886 RKNNXVZXQOUUNC-UHFFFAOYSA-N 441.940 5.287 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N(Cc3ccccc3)C[C@H]3CCCO3)c2)s1 740483135 NQAGQKCQZKKSDK-JOCHJYFZSA-N 431.561 5.178 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1Oc1ccccn1 741000702 NRJHKLAAQOZTNA-QGZVFWFLSA-N 447.516 5.064 30 20 IKED Cc1nccn1CCCC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 742784891 LPWQAPWGCKINAP-UHFFFAOYSA-N 428.414 5.293 30 20 IKED CCCOc1ccc(CCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 744038468 VWGANXQALLSZHC-QGZVFWFLSA-N 432.467 5.913 30 20 IKED COc1ccc(CNC(=O)N(C)[C@@H](C)c2ccc(-c3ccccc3OC)cc2)cc1C#N 746785550 QECBYEOZZBGZRQ-SFHVURJKSA-N 429.520 5.145 30 20 IKED CCCCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 747003649 KPVIETVZUKJYOV-XMMPIXPASA-N 443.522 5.249 30 20 IKED C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(-c2cccs2)nn(CN2CCC(C#N)CC2)c1=S 747078795 FCWSNGTXMGEBCE-BVBHFADKSA-N 427.643 5.333 30 20 IKED COc1cc(/C=C/C(=O)O[C@H](C)c2ccc(C#N)cc2)ccc1OCc1c(C)noc1C 748682156 RPJMOJRUUSFKDX-FWVUHSSSSA-N 432.476 5.068 30 20 IKED C=CC[C@H](NC(=O)C(=O)Nc1ccc(Sc2cc(C)ccc2C)cc1)c1ccncc1 749723804 FDDOFDAUHNYEGV-QFIPXVFZSA-N 431.561 5.222 30 20 IKED C[C@@H](C[C@@H](O)c1cccs1)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 752189292 QPPQMMMQPQCYLG-HTAPYJJXSA-N 435.549 5.027 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\COc3c(cccc3C(C)C)C2=O)cs1 753901096 WDGNNCJBYRMTDL-LDADJPATSA-N 432.545 5.918 30 20 IKED Sc1nnc(-c2cccs2)n1N=Cc1nc(-c2cc(Cl)ccc2Cl)cs1 755529638 BFSSOSMNPIUARY-UHFFFAOYSA-N 438.390 5.608 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 755880939 BTHQLXIGHCRBGP-QGZVFWFLSA-N 434.323 5.264 30 20 IKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1ccccc1Sc1ccccc1 759241041 WGHYDGHCBWOEJT-LJQANCHMSA-N 446.528 5.165 30 20 IKED CC(C)[C@H]1CCCN1c1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1F 760489227 DGULVDMBMNRAJC-HSZRJFAPSA-N 445.542 5.480 30 20 IKED N#Cc1c(F)ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)c1Cl 761476869 KGNANNUUEIWHTD-QPEQYQDCSA-N 437.258 5.331 30 20 IKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H]1CCC(F)(F)C1 763196770 WYYPVIABGWDEGK-IEBWSBKVSA-N 443.519 5.143 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)c1 767213487 BJBMHVGAELODKF-ZJSXRUAMSA-N 448.954 5.199 30 20 IKED N#C[C@@H](C(=O)CN(Cc1ccco1)c1cccc(Cl)c1)c1nc(-c2ccncc2)cs1 772644233 HXZQUYKEXQBEMN-FQEVSTJZSA-N 448.935 5.335 30 20 IKED CSCc1nc2ccccc2n1CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 780314294 GEQRJRIJMORIHJ-ZDUSSCGKSA-N 426.954 5.039 30 20 IKED CC(C)(C)OC(=O)N1CCCCC[C@@H]1c1noc([C@@H]2CCCN2c2ccc(C#N)cc2)n1 782227733 OQNRQHORLSSERN-UXHICEINSA-N 437.544 5.135 30 20 IKED N#CCCn1cc(/C=C/C(=O)c2ccc(N3CCCCCC3)cc2)c(-c2ccncc2)n1 788351529 WVBDMWXSERWHEB-DHZHZOJOSA-N 425.536 5.135 30 20 IKED N#C[C@H](C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccc(Cl)cc2)cs1 802043678 LXIRXOBJHIHDJE-WBVHZDCISA-N 438.833 6.369 30 20 IKED Cc1cc(-c2nnc(N3CCC(C#N)CC3)n2Cc2ccccc2)c(C)n1-c1ccccc1 802123603 STJQDAPVZAOKBT-UHFFFAOYSA-N 436.563 5.141 30 20 IKED CC1(C(=O)OCc2csc(-c3ccoc3)n2)CCN(c2ccc(Cl)cc2C#N)CC1 805595695 AVPPRHBAYTXFNX-UHFFFAOYSA-N 441.940 5.278 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)C1 805856222 WLGNKFSXIDMBEK-WBVHZDCISA-N 445.972 5.287 30 20 IKED CC1(C)CC[C@H]1N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccsc1 807938928 JSPLKHZLEBBKOG-IAGOWNOFSA-N 431.558 5.036 30 20 IKED C#C[C@H](NC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1ccc(Cl)cc1 810186341 SQTLJRZBHPWCTJ-JHOBJCJYSA-N 436.964 5.285 30 20 IKED CCC(CC)c1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)NC2CCC2)cc1 814183963 FPQOUGVMJDVLPI-UHFFFAOYSA-O 438.617 5.001 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(-c2ccc(OC(C)C)cc2)cc1F 817049491 AGWKDVAEIIGJFZ-UHFFFAOYSA-N 448.542 5.578 30 20 IKED Fc1ccc(OCc2nnc(S)n2N=Cc2ccc(-c3ccc(F)cc3)s2)cc1 839416692 OAGCYUOIBFDEMK-UHFFFAOYSA-N 428.489 5.035 30 20 IKED COc1ccc(C(=O)/C=C\c2cc3cnn(C(C)C)c3nc2Cl)cc1Br 913617902 YVNPCVIXWLOPPG-XQRVVYSFSA-N 434.721 5.333 30 20 IKED CCCOc1c(Cl)cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC 915086869 NKHKMGIZTVLJDS-NRFANRHFSA-N 434.923 6.045 30 20 IKED Sc1nnc(-c2cccs2)n1N=Cc1ccc(-c2ccc(Br)cc2)o1 916314029 KTUQHCJTBHAUTM-UHFFFAOYSA-N 431.340 5.200 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(-c2ccccc2)n1 916906126 RGMSOLRHENNUQC-LJQANCHMSA-N 439.496 5.564 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2F)o1)C(=O)Nc1ccc(Cl)cc1Cl 916928716 RRDGODNQKXSDIL-AWEZNQCLSA-N 446.265 5.068 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)COC(c3ccccc3)c3ccccc3)n2)cc1 916974182 FWNPOHBYUCJEEA-HSZRJFAPSA-N 438.552 6.101 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cccc(OCc2cccc(Cl)c2)c1 920110092 YLUODRJUWKMFMX-LJQANCHMSA-N 439.298 5.534 30 20 IKED N#C[C@@H](C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1nc2ccccc2n1C(F)F 920113297 UVQMRWHIWJGFMG-AWEZNQCLSA-N 445.351 5.126 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(N2CCOC2=O)c1 920977540 ZVXMAUCCIULFGL-UUOWRZLLSA-N 440.503 5.181 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccco4)cc3)CCC2)c1 1786903266 QYRUBJRMIBLVPF-LJQANCHMSA-N 441.531 5.287 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5occc5c4)CCC3)cc2)cc1 1790707873 UTPZBTIXZXOEFS-UHFFFAOYSA-N 449.510 5.560 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cccc(OC)c34)cc2)CCC1 1790920658 WNGXCQUXCKLZJO-QGZVFWFLSA-N 431.536 5.136 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccco4)CCC3)cc2)c1 1792123258 QFXQXMYORZDEFV-IBGZPJMESA-N 441.531 5.287 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1Oc1ccccc1)C2 1798335657 QCMWDFUBVLECLK-KHUIQGCPSA-N 444.575 5.499 30 20 IKED Cc1ccc(-c2ccccc2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(C#N)c2)cc1 1799603418 MRNJCWWZFWTJND-QEIWAGNOSA-N 449.554 5.099 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(Cl)c(F)c3)C2)CC1 1805218884 JYDGTJSBXOCTBP-FQEVSTJZSA-N 446.994 5.021 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ccccc23)n[nH]1 1818454282 PAQQPHHLZCRFMH-QHCPKHFHSA-N 428.536 5.062 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sccc2OCC)CC1 1823647333 SURGZMOUHKKNEN-HXUWFJFHSA-N 446.657 5.373 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cccc(C)n2)CC1 1823727983 RLWQIUYYJFYZKW-BYUVYSIJSA-N 437.628 5.015 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)cc1)=C(/S)Nc1c(C)cc(C)cc1Cl 22732738 HHSFXOVNAVRXLO-UHFFFAOYSA-O 438.016 6.166 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 26498223 SMIHJDMEBBUTCM-GOSISDBHSA-N 448.592 5.770 30 20 IKED Cc1[nH]c2ccc(CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2c1C 65119686 UESWZTNPVSGKBG-UHFFFAOYSA-N 425.557 5.879 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cn2cc(Cl)ccc2n1 103975564 XCQPYAUKNFDWIE-UHFFFAOYSA-N 446.363 5.290 30 20 IKED CCN(CC)[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1 255952208 NUOFOMJGNSBCDJ-VWLOTQADSA-N 443.616 5.663 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1c2ccccc2n2c(C)nc3ccccc3c12 302596812 SGRJAHHFSNMFGQ-UHFFFAOYSA-N 449.514 5.110 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C[C@@H]3OCCc4ccccc43)cc2Cl)c1 303579745 DHZNIIKJFKWJCK-DEOSSOPVSA-N 432.907 5.433 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3c(F)cccc3Oc3ccccc3)o2)cc1 410042418 OPTNRDSCTQBVGU-UHFFFAOYSA-N 428.419 5.914 30 20 IKED CC(C)(NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cc(C(F)(F)F)on1 432754131 IUVQMTDEYRMWOH-UHFFFAOYSA-N 430.386 5.414 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3cc(C4CC4)nc4ccc(Cl)cc34)CC2)c1 433698443 WNMDREWPYFXVAN-UHFFFAOYSA-N 431.923 5.321 30 20 IKED N#CC(CCSc1nnc(Cc2ccccc2F)o1)(c1ccccc1)c1ccccc1 434649448 YMYGZDUKDXUKII-UHFFFAOYSA-N 429.520 5.792 30 20 IKED Cc1csc(C2(NC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CCC2)n1 435104271 QFMSRXQQFACTJE-UHFFFAOYSA-N 432.549 5.298 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(N3CCCC3=O)ccc2F)cc1F 437459220 IRCPZIDNQDRPLR-UHFFFAOYSA-N 433.414 5.008 30 20 IKED C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CCN1Cc1ccccc1 437491615 ARDDYLYPHMZOPI-QFIPXVFZSA-N 439.559 5.282 30 20 IKED CCOCc1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 441633426 JTLABSGBRPEXFT-QFIPXVFZSA-N 447.922 5.109 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)cc1Cl 442559928 VEEVUCKWUQVYLG-MQSCRBSSSA-N 435.955 5.019 30 20 IKED C=CCOc1ccc(/C=C/c2nc(CC(=O)Nc3cccc4ccccc34)no2)cc1OC 445334224 WWFLROZBRGRWBT-WYMLVPIESA-N 441.487 5.148 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 446631202 KHPXZTHWIASFST-YKSBVNFPSA-N 441.600 5.667 30 20 IKED C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H]1c1nc2ccccc2s1 460549231 PSDWWCFQXGCXBP-IBGZPJMESA-N 431.565 5.481 30 20 IKED N#Cc1cccc(-c2nnc(N3CCCC[C@@H]3c3ccccc3)n2C[C@H]2CCCCO2)c1 461854617 ROIOZFSEZBAEOX-DNQXCXABSA-N 427.552 5.117 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(C(F)(F)F)cc3Cl)ccc21 469970617 ANWQIJFEYRRJKJ-UHFFFAOYSA-N 435.833 5.194 30 20 IKED N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(-c3nc4c(Cl)cccc4[nH]3)cc2)cc1 470903875 NIKBNJLNMSOITF-GOSISDBHSA-N 425.879 5.076 30 20 IKED CCc1c(NC(=O)C[C@H](CC#N)c2ccccc2)cnn1-c1cccc(C(F)(F)F)c1 477013962 VBANLCJLVGBYKS-KRWDZBQOSA-N 426.442 5.480 30 20 IKED C=C(C)[C@H](NC(=O)Cn1c(-c2scnc2C)nc2ccccc21)c1ccc(F)c(F)c1 478906587 AALFTFJALSTMHQ-NRFANRHFSA-N 438.503 5.180 30 20 IKED CCN(CC)C(=O)Cc1ccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1 479509297 BSVYNAOCZLYQIO-UHFFFAOYSA-N 443.572 5.373 30 20 IKED O=C(CCOCC(F)(F)C(F)F)Nc1cc(Cl)ccc1SCC(F)(F)F 479985730 IEBHWZOBDYDYJQ-UHFFFAOYSA-N 427.769 5.240 30 20 IKED COc1ccccc1COC1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 480832870 UNVGGAVYTILXOX-UHFFFAOYSA-N 442.515 5.181 30 20 IKED O=C(NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1c(F)c(F)cc(F)c1F 480905691 DFXQTISPHSHUPE-UHFFFAOYSA-N 434.336 5.315 30 20 IKED CC(C)CCn1ncc(NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1C(C)C 487234144 IHXDBGGIALJQIJ-UHFFFAOYSA-N 439.951 5.407 30 20 IKED O=C(N[C@@H]1CCCC(F)(F)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 489022294 WWQOKBIIVKONLP-MOSCZQEPSA-N 447.410 5.803 30 20 IKED CCN(C(=O)CCCOc1ccc(C#N)cc1OC)[C@@H](c1ccc(C)cc1)c1cccnc1 496549969 ILROWUXTJQOCQT-MHZLTWQESA-N 443.547 5.067 30 20 IKED CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 502514482 FFOZYKYVRRQHPO-XMMPIXPASA-N 435.549 5.087 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3cccc(C(=O)Nc4cccc(F)c4)c3)CC2)cc1 503641318 GCUDSNAVTDZNSZ-UHFFFAOYSA-N 440.478 5.271 30 20 IKED CC[C@H](C)n1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)nnc1-c1ccccc1 504321555 OXJMRQFYOQCZOF-OALUTQOASA-N 433.581 5.344 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 504743769 XXEIWMLYEYPRMX-UHFFFAOYSA-N 443.981 5.389 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)c1 505112806 GKUARMOFQPDQRN-DEOSSOPVSA-N 432.907 5.004 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)c1 505718931 HMTZGJPQPICRQS-UHFFFAOYSA-N 448.482 5.037 30 20 IKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 505832433 LIEIFSVVFFFVOJ-GOSISDBHSA-N 440.956 5.161 30 20 IKED N#C[C@H](NC(=O)CSCc1cc(-c2cccs2)on1)c1cccc(C(F)(F)F)c1 505944740 VBQVFHVPTGZIEX-HNNXBMFYSA-N 437.468 5.036 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(n2cc(Cl)cn2)CC1 506948720 HDGQGMRUQJVQJQ-UHFFFAOYSA-N 435.915 5.378 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCCC[C@@H]2c2ccncc2)cc1Cl 510052813 BZWDKNVWTUDDIN-ILBGXUMGSA-N 444.966 6.540 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccccc1Oc1ccccc1 510324558 PPLAMGCZIAIFBY-HXUWFJFHSA-N 429.520 5.270 30 20 IKED C/C=C\c1ccc(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 510593329 ZWSIVOYGNDHNGQ-RQOWECAXSA-N 433.455 5.321 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccccc2)Cc2ccco2)cc1 511005214 ZUUDKOILWFNOOR-UHFFFAOYSA-N 429.520 5.328 30 20 IKED C[C@@H](OCCCNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccccc1 511537007 FZHGZBGSHONZBA-LJQANCHMSA-N 442.519 5.100 30 20 IKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccccc1 512970937 XRKAJWIAZOXPDG-HSZRJFAPSA-N 427.504 5.193 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F 517461261 SJHUOVUUHGLSRM-AWEZNQCLSA-N 430.455 5.395 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 518244723 ASHFRQFTEUOTOS-AWEZNQCLSA-N 447.482 5.479 30 20 IKED N#C[C@H](C(=O)c1cc(C2CC2)nn1-c1ccccc1)c1nc(-c2c(F)cccc2F)cs1 520427727 WXYWXQDPCIGVTK-MRXNPFEDSA-N 446.482 5.641 30 20 IKED CCN(C(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C)[C@H](C)c1ccc(C#N)cc1 520707012 WAKAVPDQDGNAMO-OAQYLSRUSA-N 428.580 5.271 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCCC[C@@H]3c3cc4ccccc4[nH]3)cc2)c1 520936597 DMBNMUWXLLHOLO-AREMUKBSSA-N 436.515 6.591 30 20 IKED CCN(CC)[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccco1 523222819 VLFMDAJWLKJJHJ-DEOSSOPVSA-N 448.542 5.085 30 20 IKED C[C@H]1CCCCN1Cc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1 523276172 FFMJQNPFILTNCL-IBGZPJMESA-N 429.520 5.357 30 20 IKED CC[C@H]1CCCN(C(C)(C)CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 523620285 QFKSGNBDKRAZCU-NRFANRHFSA-N 448.611 5.354 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)n2)cc1 524489653 KUQRKXAQFKLTOJ-UHFFFAOYSA-N 436.496 5.385 30 20 IKED CC[C@H](C)NC(=O)c1cccc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 524599936 VWIWKCKGMAMPMV-SFHVURJKSA-N 442.519 5.201 30 20 IKED C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 525385400 UUXASVDMSAEQDC-NRFANRHFSA-N 425.532 5.087 30 20 IKED N#Cc1cccc(CC(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)c1 530674299 XVSGIBBQOXUTHP-UHFFFAOYSA-N 441.384 5.150 30 20 IKED N#CCCCOc1cccc(CNc2ccc(CC(=O)N3CCc4ccccc43)cc2)c1 532888698 ABRZWMPBYPMJFH-UHFFFAOYSA-N 425.532 5.113 30 20 IKED C[C@@H](NC(=O)c1ccccc1Oc1ccccc1C#N)c1nc(-c2cccc(F)c2)no1 537554159 KVXIKWMGMVJOQJ-OAHLLOKOSA-N 428.423 5.031 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2ccccc2)[C@H](C)CCO)cc1 537926960 PMIGTZWGLNTKEC-LJQANCHMSA-N 445.519 5.164 30 20 IKED COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NCCCC2(C#N)CCOCC2)c1 540809637 RGUCTPZZMHQELS-UHFFFAOYSA-N 445.972 5.185 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3cccc(COc4cccc(F)c4)c3)CC2)c(F)c1 552689222 SYZCDZDDYXJNRK-UHFFFAOYSA-N 448.469 5.099 30 20 IKED C=CCn1c(-c2ccc3ccccc3c2)nnc1N(C)Cc1csc([C@@H](C)OCC)n1 554619154 FTZCLCIUIJYXDU-QGZVFWFLSA-N 433.581 5.475 30 20 IKED CC1=C(c2ccco2)CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 564785262 SWIRUZXHDGTUDJ-UHFFFAOYSA-N 431.467 5.581 30 20 IKED CCO[C@H](c1noc(C(F)(F)c2ccccc2F)n1)c1ccc(F)cc1C(F)(F)F 569622665 AGVDBWNUJSJDMH-HNNXBMFYSA-N 434.311 5.633 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 570325988 DMBDNBRLRSWCIC-UHFFFAOYSA-N 429.867 5.145 30 20 IKED C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 571246986 JOXLULVHALPPLH-HOTGVXAUSA-N 448.958 5.062 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1)[C@H]1C[C@H]1C 573993196 FFTHJNPUUVMMJI-DWXRJYCRSA-N 439.515 5.559 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCO[C@@H](c4cccc(Cl)c4)C3)cc2)ccn1 579779917 SYMHWORVASSMLK-JOCHJYFZSA-N 434.883 5.004 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1C(=O)c1ccccc1 588841592 MBXVZBWPLXOQIF-UHFFFAOYSA-N 433.467 5.537 30 20 IKED C=C(C)CN1CCC(NC(=O)Nc2ccc(OCc3cccc(Cl)c3)cc2C)CC1 592339385 ZENKRRYSCMOHFF-UHFFFAOYSA-N 427.976 5.389 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1nc2cc(F)ccc2s1 592973881 KUGZTTBVDQVNCO-ZDUSSCGKSA-N 447.438 6.068 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2)c2ccccc12 594669267 QDEVHGSXAGNYNU-UHFFFAOYSA-N 430.920 5.553 30 20 IKED C=CC1CCN(C(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 601139061 LXNGWFPXZDNAJX-UHFFFAOYSA-N 432.446 5.779 30 20 IKED Cc1ccc(-c2csc3ncnc(NC4CCN(c5ccc(C#N)cn5)CC4)c23)cc1 608974997 UEHGJJZTRZYEJV-UHFFFAOYSA-N 426.549 5.014 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(-c2ccccc2F)on1 609061210 VPGUFBBSOUHWDC-UHFFFAOYSA-N 427.435 5.492 30 20 IKED Cc1nn(-c2ccccc2)cc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609104122 FRBDOBXDDCXTGJ-UHFFFAOYSA-N 426.451 5.023 30 20 IKED C[C@H]1Cc2ccccc2N1C1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 609129238 DRPBMEKRTJNDDK-FQEVSTJZSA-N 437.543 5.406 30 20 IKED CCCN(CCc1ccccn1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609208321 BUTRECRECKSTQV-UHFFFAOYSA-N 432.499 5.158 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](Sc1ccccc1F)c1ccccc1 609262061 IDEJQTBUBSLVKH-DEOSSOPVSA-N 434.536 5.206 30 20 IKED Cc1oc(-c2ccsc2)nc1CSCC(=O)Nc1ccccc1SC[C@@H](C)C#N 609389448 RQMCCTJBHRJJNQ-AWEZNQCLSA-N 443.619 5.835 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 609431900 YMODWGMMYZHXCO-SJLPKXTDSA-N 441.984 5.225 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(CN2CCc3ccccc32)CC1 609555806 GWVGNALKSCQICP-IBGZPJMESA-N 434.609 5.387 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](CO)c2c(F)cccc2F)cc1Cl 609682369 NWVMZMQAYWTLND-UTKZUKDTSA-N 441.865 5.129 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)cc1 610152799 JKOQWWFRHVUYGF-DLBZAZTESA-N 442.359 5.151 30 20 IKED CN1CCC(C#N)(NC(=O)c2cccc(CSc3cc(Cl)cc(Cl)c3)c2)CC1 610197541 NHFGFGMEWWMGBX-UHFFFAOYSA-N 434.392 5.003 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C 615509795 PAUMRKJSIOGMAR-UHFFFAOYSA-N 432.499 5.998 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(C(F)(F)F)ccc1F 675439283 WQRANVSTHDMFFT-IUCAKERBSA-N 425.266 5.484 30 20 IKED C=C(C)[C@H](NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)c(F)c1 681330552 ZBKJYMKQNHFFSN-HSMVNMDESA-N 444.366 5.791 30 20 IKED COc1ccc(C(=O)/C=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1NC(C)=O 726427364 KNOAUPPZRNKKLY-HJWRWDBZSA-N 446.450 5.692 30 20 IKED COc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1NC(=O)OC(C)(C)C 727588471 PCXVNSWTCRPBOE-UHFFFAOYSA-N 436.512 5.110 30 20 IKED N#CC(CCOC(=O)Cc1coc(-c2cccs2)n1)(c1ccccc1)c1ccccc1 730056636 UUCJVVSZNPYSLL-UHFFFAOYSA-N 428.513 5.389 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)ccc1F 731645372 KSYMTPSJIWPBSR-KRWDZBQOSA-N 437.393 5.186 30 20 IKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 732708650 SYXCLMYGJFSLFR-INIZCTEOSA-N 444.796 5.511 30 20 IKED Oc1nc(/C(Cl)=C/c2cc(C(F)(F)F)ccc2F)nc2cc(C(F)(F)F)ccc12 733206931 SQEOSVVOHWHIDB-SDQBBNPISA-N 436.714 6.249 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(CC)[C@@H](C)c2cc3ccccc3o2)ccc1OC 733656388 KJRNCUJPTDWYBI-FXAWDEMLSA-N 435.524 5.415 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(Oc2nccs2)c1 737317360 WLEDFLHQZFLWHE-CQSZACIVSA-N 432.288 5.203 30 20 IKED C[C@H]1CCCCN1C[C@H]1CCCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 740484909 XOXDNBDTZCFZKJ-PZJWPPBQSA-N 436.625 5.083 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C/C(=O)c1ccc(N2CCOC2=O)cc1 748584713 UKKIVLQWIWRHDO-ZHACJKMWSA-N 442.302 5.340 30 20 IKED Cc1nc(CCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cs1 750689213 YGYWFZSPIAHYAA-HNNXBMFYSA-N 436.389 6.081 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(O)c(OC)c2)cc(Br)c1OC(F)F 750899545 DISULVPLDQDWEO-XQRVVYSFSA-N 443.240 5.060 30 20 IKED COc1ccccc1Nc1nn(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(=S)s1 751932520 OOEPXHYHKGWNTG-PKOBYXMFSA-N 437.594 5.156 30 20 IKED O=C(/C=C\c1ccc2ccc(Br)cc2n1)c1cc(Br)ncc1F 762420307 FNGBRHXQHSWKDT-WAYWQWQTSA-N 436.078 5.190 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H](O)c2ccc(Cl)c(F)c2)cc1 763202682 OLAYPKTWIQOMJQ-OAQYLSRUSA-N 440.927 5.106 30 20 IKED C=CC[C@@H](N[C@@H]1CCCc2nc(-c3ccccc3Br)sc21)c1ccncc1 766022897 YOKKSSSTWTYBCG-RTBURBONSA-N 440.410 6.252 30 20 IKED Cc1c([C@@H](C)OC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)sc2ccccc12 767564173 NFIBDROBWMJENQ-MRXNPFEDSA-N 427.547 5.205 30 20 IKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CN(CCC#N)Cc1ccccn1 769335129 IKZPZUYFKGMPPX-UHFFFAOYSA-N 433.865 5.164 30 20 IKED COc1cc(/C=C\C(=O)c2occc2C)ccc1OCC(=O)Nc1ccccc1Cl 769784026 NHCYHBHBXDITNK-CLFYSBASSA-N 425.868 5.164 30 20 IKED COc1ccc2nc(Cl)c(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cc2c1 770068450 HRWRWOFWAAKRGG-UHFFFAOYSA-N 444.878 5.517 30 20 IKED Cc1ccc(-c2csc3nc(/C(Cl)=C\c4ccc(F)c(C#N)c4)nc(O)c23)s1 770570818 KKLHIEUAENFNOE-VGOFMYFVSA-N 427.913 6.182 30 20 IKED CC(C)(c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1)C(F)(F)F 774056720 YDKMJHQZIJGUFT-AWEZNQCLSA-N 426.797 5.280 30 20 IKED CCS(=O)(=O)c1c(Cl)cccc1/C=C\C(=O)c1ccc(SC(F)F)c(OC)c1 774126675 MGYYAWFIRMTDRF-CLFYSBASSA-N 446.924 5.353 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)nn1-c1ccc(Cl)cc1Cl 776517107 OYTGRTDZQRNFOS-ZDUSSCGKSA-N 447.709 5.102 30 20 IKED N#Cc1cc(N[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)ccc1N1CCC(O)CC1 779159418 JLXQNZMQXYYISI-RUZDIDTESA-N 435.930 5.513 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 780152240 DFBPERORFDZIAW-SFHVURJKSA-N 440.478 5.150 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2 780161054 TZGWXNCIKPPYFS-KCGBVJQISA-N 435.483 5.858 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1cccnc1Oc1cccc(Br)c1 780167203 OMXHFANBSAKHMG-CQSZACIVSA-N 438.281 5.180 30 20 IKED COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 780669321 BYMQKGRKGHGPOZ-GAJHUEQPSA-N 433.483 5.231 30 20 IKED CCOc1cccc2[nH]cc(CC(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c12 783074519 IHOMGWAXEOOADF-AWEZNQCLSA-N 437.471 5.387 30 20 IKED Cc1c(C(=O)Nc2ccc(-n3nccn3)cc2C(F)(F)F)ccc(C(F)(F)F)c1F 786615240 OOBTWSYYIBCYAY-UHFFFAOYSA-N 432.299 5.005 30 20 IKED CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C#Cc1ccc(C(F)(F)F)cc1 790835524 FTBNPGBQFHWDSM-UHFFFAOYSA-N 447.844 5.198 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1nccc2ccccc12 792101964 CVMPZDRQDYXATG-UXHICEINSA-N 438.314 5.023 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)[C@@H](CC)Cc1ccc(C(F)(F)F)cc1 793126522 TUJUTYQTQGXAMS-WMZOPIPTSA-N 432.442 5.020 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1csc(CCNC(=O)OC(C)(C)C)n1 793948408 LDTLMUAQYNNPCQ-UHFFFAOYSA-N 429.586 5.315 30 20 IKED COc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(C(C)(C)C#N)cc2)c2ccccc2)cc1 796040158 MPQUZRZGPIESJH-QHCPKHFHSA-N 428.488 5.033 30 20 IKED C[C@H](Oc1ccc(Br)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 798815724 ACZCAGWMTAQEPL-SUMWQHHRSA-N 427.323 5.216 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(Oc2ccccc2)cn1 799602162 IXNMZSRHAVTMML-GOSISDBHSA-N 439.443 5.150 30 20 IKED C=CCn1c(SCC(=O)N(CC)c2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 914474288 AUSLLJMENWBPLJ-UHFFFAOYSA-N 426.973 5.238 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 915175099 LMWZETZIFPADFV-UHFFFAOYSA-N 444.491 5.274 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 915353177 LSSKOKSHXRBPCO-JTHBVZDNSA-N 438.556 6.321 30 20 IKED COC(=O)c1ccc(COc2ccc(/C=C\C(=O)c3ccc(Cl)cc3)cc2OC)o1 916135365 UYYNVSWCNPMRER-KMKOMSMNSA-N 426.852 5.203 30 20 IKED CCOc1cc(/C=C(\C(=O)Nc2cccc(OC)c2)C(=O)c2ccccc2)ccc1OC 916156254 PNLFWJBRIIILCI-JCMHNJIXSA-N 431.488 5.008 30 20 IKED C=CCN1C(=S)N[C@H](c2ccccc2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 916167322 PWEDXIGPFRTJGJ-LJQANCHMSA-N 431.483 5.035 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 916559352 LCSCHAKQYBTVTJ-UHFFFAOYSA-N 444.878 5.077 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)/C=C/c2cc(Br)ccc2F)cc1 916948547 WLNGKRUJYMFUPC-HFPPWBSHSA-N 443.316 5.462 30 20 IKED CC(=O)c1cccc(OCC(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 917031556 WXGFHAXDELFULF-HJFDCUHHSA-N 434.561 5.069 30 20 IKED C=CCn1c(-c2cccc(C)c2)nn(CN2CCC(C(=O)c3ccc(C)cc3)CC2)c1=S 917488350 JWXKFZHADIBKEV-UHFFFAOYSA-N 446.620 5.436 30 20 IKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 920104416 QPTSZEBZYAWKNP-SFHVURJKSA-N 448.320 5.163 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc(C(F)(F)F)cnc3O)cc2Cl)cc1 1625296792 COZZUVPGDKORHF-UHFFFAOYSA-N 433.773 5.376 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccoc4Cl)cc3)CCC2)c1 1790207787 NQWWDLMIEJYLTM-MRXNPFEDSA-N 447.922 5.622 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)cc1F 1803849910 OHICZIXERFIJNL-BJWYYQGGSA-N 440.481 5.089 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(Cl)c2)[C@@H]1c1cccnc1 1811819998 SHZZYKWFXIGZQL-IRLDBZIGSA-N 439.987 5.047 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2)[nH]n1 1814829572 JAANVOYEFXSCKI-HXUWFJFHSA-N 426.948 5.137 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3cccnc23)n[nH]1 1818482611 RXYBBFDUADIQTE-OAQYLSRUSA-N 445.567 5.256 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(OCC)c2)n[nH]1 1820648880 LXZZSHYTMNOCLH-NRFANRHFSA-N 438.572 5.107 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)cc2OC)CC1 1823755346 VVXJSPRBXVXRQB-QFIPXVFZSA-N 444.591 5.060 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2)nc2scc(-c3ccccc3)c2c1=O 9041603 KIRRYRQBYMTSRC-UHFFFAOYSA-N 433.558 5.042 30 20 IKED CCOC(=O)c1sc(NC(=O)c2sc(-c3cccc(Cl)c3)nc2C)c(C#N)c1C 17343336 DLQRIDMTHMBNJG-UHFFFAOYSA-N 445.953 5.443 30 20 IKED COc1ccc(C)cc1NC(=O)[C@@H](Sc1nc2c(c(C)c1C#N)CCC2)c1ccccc1 22121150 KEASNKYTPSSWEK-DEOSSOPVSA-N 443.572 5.540 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2cccc(Cl)c2)cc1 22730610 MUJYBQKSAYMQQV-UHFFFAOYSA-O 430.018 6.001 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(OC)cc2)cc1 22731307 HIPBNACTUCSDNS-UHFFFAOYSA-O 439.626 5.664 30 20 IKED C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)OCc1ccc(-c2ccccc2C#N)cc1 23442189 CAUSBHNXQKAFRG-QGZVFWFLSA-N 448.519 5.168 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccco1 29548242 VUQLVBSWVSPRJC-QGZVFWFLSA-N 430.533 5.510 30 20 IKED COc1ccc(-c2nc(C)c(/C(O)=N/c3nc(CN4CCCCCC4)cs3)s2)cc1 29637557 ZLAPJTIRDYJVOV-UHFFFAOYSA-N 442.610 5.596 30 20 IKED CCCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1OCC 60488263 GBJAFUMZVGLCTM-HNNXBMFYSA-N 428.941 6.017 30 20 IKED Cc1ccc(C[C@H](C#N)Sc2nnc(-c3c[nH]c4ccccc34)n2C[C@@H]2CCCO2)cc1 60697283 FKNKQYMIAHWBFG-VQTJNVASSA-N 443.576 5.141 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)s2)cc1 64379918 FHCMHHGMIADURH-DLBZAZTESA-N 426.954 5.098 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Oc2ccc(NC(=O)c3cccs3)cc2)o1 71947689 SSBGVRXDLLTICC-UHFFFAOYSA-N 444.468 5.263 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 97335705 KYHFWPSXWBLMIP-HXUWFJFHSA-N 440.890 5.812 30 20 IKED CCN(CC)[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1 255952207 NUOFOMJGNSBCDJ-RUZDIDTESA-N 443.616 5.663 30 20 IKED N#Cc1cc([N+](=O)[O-])ccc1Sc1nnc(Cc2cccs2)n1CCc1ccccc1 302911570 CKIIPDGWFSRXCH-UHFFFAOYSA-N 447.545 5.104 30 20 IKED Cc1nc(-c2cccc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)c2)n[nH]1 303696306 WJWWQAJMYSEPQD-UHFFFAOYSA-N 429.867 5.350 30 20 IKED C=CCOc1c(Br)cc(CNc2ccc(O[C@@H]3CCOC3)cc2)cc1OCC 303834756 PHDAANIDBHVZTL-LJQANCHMSA-N 448.357 5.192 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccc3ccc(Cl)cc3n2)nnc1-c1ccco1 410404186 VHBMTJOIXXBGIB-UHFFFAOYSA-N 439.928 5.047 30 20 IKED Cc1cc(Br)c2c(c1)CN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)CC2 429416178 CAYCVGIUVBLSJV-HNNXBMFYSA-N 444.398 5.600 30 20 IKED CCc1ccccc1N(C(C)=O)c1nc(CN[C@@H](CCCC#N)c2ccccc2)cs1 433031361 IXXSEJVUKNGRBQ-QHCPKHFHSA-N 432.593 5.915 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCC1CC(OC(C)(C)C)C1 433519720 MMHMGTRLIYRDCS-UHFFFAOYSA-N 435.568 5.551 30 20 IKED COc1ccc(C#N)cc1CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1 435146629 NHYUPEPJDVWLLS-UHFFFAOYSA-N 433.924 5.155 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 437872030 NGUUCPIQGSWWGM-BJKOFHAPSA-N 442.494 5.382 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 438082154 SGTUBGUMFSYIFQ-GGAORHGYSA-N 446.938 5.618 30 20 IKED N#CCC[C@H](Nc1ncc(Cl)c(N[C@H](CCC#N)c2ccccc2)n1)c1ccccc1 439102686 XJNBCXAHUSLNBA-YADHBBJMSA-N 430.943 6.044 30 20 IKED N#Cc1ccc(CNc2ccc(CC(=O)Nc3ccccc3F)cc2)c(OC(F)F)c1 439563303 WGIHMHDOYZYYGT-UHFFFAOYSA-N 425.410 5.092 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@]3(C[C@H]4CC[C@H]3C4)C2)cc1Cl 440918609 CPWBVDLFISLGJD-JNLMMFOCSA-N 435.955 5.418 30 20 IKED C=CC[C@@H]1N(C(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccn2)CCCC1(C)C 443871279 VPOZCHQBDWCZED-NRFANRHFSA-N 429.568 5.208 30 20 IKED Cc1c(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cnn1C1CCCC1 444856968 WLMMVJABLXEFMH-OAQYLSRUSA-N 433.943 6.260 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C)n1Cc1ccncc1 460377458 YHSYPKMQMDCIHA-NRFANRHFSA-N 446.963 5.815 30 20 IKED C[C@H]1CCCN(c2cc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)ccn2)C1 463460337 GOIOEHUKVKVKTP-FQEVSTJZSA-N 440.547 5.215 30 20 IKED CSc1cccc([C@@H](NC(=O)[C@H](C)Oc2ccccc2C#N)c2ccc(F)c(F)c2)c1 464114146 KEZHKCCOVGKENZ-NPMXOYFQSA-N 438.499 5.231 30 20 IKED CC(C)(C(=O)N[C@@H](C#N)c1ccccc1Cl)c1csc(-c2cc(F)ccc2F)n1 464407508 RDBBJGKSXZSNHJ-KRWDZBQOSA-N 431.895 5.400 30 20 IKED O=C(c1ccc(F)c(F)c1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469768413 KLQAZDDDDPSUPT-MRXNPFEDSA-N 439.302 5.216 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 476158220 RDJQPSDCJLMSNG-VWLOTQADSA-N 440.543 5.733 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)S(=O)(=O)c1cc(C#N)ccc1Cl 476429581 CHDBXPNQMQFJIA-AWEZNQCLSA-N 431.970 5.025 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)n2)cc1 477784770 AZXWPHNYEOQRLC-NRFANRHFSA-N 436.496 5.668 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 478084758 MVHLVRJJEHAVLU-UHFFFAOYSA-N 444.362 5.221 30 20 IKED COc1cc(C[S@@](=O)[C@@H](C)c2cccc(Cl)c2)ccc1OCc1cccc(C#N)c1 479974742 JGCQXBRXOQMQRT-NOVUIFNWSA-N 439.964 5.809 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(CC)cccc2CC)nnc1-c1cccs1 481405173 VLIWZPZEUZSMNZ-HNNXBMFYSA-N 426.611 5.437 30 20 IKED C=CCn1c(COc2ccccc2)nnc1Sc1nc(C(F)F)nc2ccccc12 481833842 VOVWGXDUJJJVMW-UHFFFAOYSA-N 425.464 5.075 30 20 IKED C=CCN(C(=O)c1cnc2ccccc2c1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 482563553 WWIPFSDKCQEMHF-UHFFFAOYSA-N 430.489 5.408 30 20 IKED Cc1nc(NC(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)sc1SCC#N 483251797 JAFWZJPVVSKKJO-UHFFFAOYSA-N 439.953 5.312 30 20 IKED Cc1c([C@@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C(C)C)oc2ccccc12 484911294 CTXNDQKFPYYZLZ-VWLOTQADSA-N 431.536 5.282 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1 487844282 QXFDDEUUUQYOFQ-DLBZAZTESA-N 426.360 5.272 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cccc(Cl)c1 489639859 ZQWFFEFBZUZKRE-KRWDZBQOSA-N 441.000 5.829 30 20 IKED CC(C)n1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C1CC1 498662881 VBVZRQBCNRFPKK-OAHLLOKOSA-N 445.375 6.262 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 500707197 CVWJRXSBZOWACV-FQEVSTJZSA-N 431.496 5.156 30 20 IKED C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 505309404 CARAHCQIEHGPGJ-LJQANCHMSA-N 442.519 5.034 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)cc1 505623097 VJBGNFNJUKTTCZ-KSFYIVLOSA-N 441.487 5.206 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)n1 505684274 VWGFXMWMRHEVLA-GOSISDBHSA-N 445.475 5.164 30 20 IKED N#C[C@H](NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1)c1ccc(Cl)cc1 505830724 DQCKLLFPEOPAND-KRWDZBQOSA-N 436.682 5.208 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)c2)cc1 505928319 MGPZMQGDCWDRSM-JOCHJYFZSA-N 435.405 5.151 30 20 IKED C[C@@H](Nc1ccc(F)cc1OCCC(F)(F)F)C(=O)Nc1ccccc1C(F)(F)F 507678586 RREOAASYVIULJK-LLVKDONJSA-N 438.343 5.615 30 20 IKED N#CC1CCC(CNC(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)CC1 508364268 XIGVPWDBXSXBIR-BUNACBEFSA-N 445.332 5.154 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1csc(-c2ccc(F)cc2)n1 508379218 AICALKPSJNMAPU-UHFFFAOYSA-N 430.464 5.569 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)Cc3ccccc3Br)c2)cc1 511778821 RUDJNDFQGBRUKZ-UHFFFAOYSA-N 435.321 5.275 30 20 IKED C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC(Oc2ccc(C#N)cc2F)CC1 512828064 MPGBNNRHRXQEJS-OAHLLOKOSA-N 425.891 5.610 30 20 IKED N#Cc1ccccc1CSCCNC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 514539202 ROIIUOIODFVWBG-PMACEKPBSA-N 433.602 5.267 30 20 IKED Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 515654663 ATCGKQJJAMYUJC-UHFFFAOYSA-N 425.410 5.306 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CN[C@H](C)c2ccc(Oc3cccnc3)cc2)c1C 516074707 XVXZFRILYLLWMI-OAQYLSRUSA-N 428.536 5.088 30 20 IKED CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1C 516141972 SRLGWHLPUQYVQQ-UHFFFAOYSA-N 437.883 5.378 30 20 IKED C[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccc(OCc2cccnc2)cc1 517535667 JJKSGNPSJYNYHM-JOCHJYFZSA-N 449.554 5.962 30 20 IKED C[C@@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 518147815 JVTHVYPXLPNQKM-JKSUJKDBSA-N 438.622 5.580 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(CN2CCCC[C@@H]2C)cc1 518255490 NHFWYKQRVVGFEK-PMACEKPBSA-N 436.625 5.777 30 20 IKED CN(CCCc1nc2ccccc2[nH]1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 518389275 MVKJRZQQKQMSGH-UHFFFAOYSA-N 440.572 5.432 30 20 IKED CCn1ccnc1[C@H]1CCCCN1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 519005422 XARXMUDTJCNTIT-HSZRJFAPSA-N 430.552 5.089 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccccc1Br 519431937 XLZXNAWTOTUCBH-CQSZACIVSA-N 435.412 5.715 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(CN2C[C@@H](C)C[C@@H](C)C2)cc1 520478741 QGRDTZUGTHEPAQ-SZPZYZBQSA-N 432.612 5.156 30 20 IKED CCO[C@@H](C)c1nc(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cs1 522667169 VCKHFDUCRNHGDH-AWEZNQCLSA-N 441.940 5.739 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C 523504133 GNLMSAWMQDIVFN-UHFFFAOYSA-N 434.458 5.816 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(CC(C)C)c1C(F)F 536167721 QKAKFYQVTADUFO-UHFFFAOYSA-N 425.439 5.096 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c1 538980872 RJXIGDCSRKCZOZ-NRFANRHFSA-N 425.513 5.761 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)cc1Cl 539028303 FAEXJLILRWWDAS-XRODADMRSA-N 445.950 5.895 30 20 IKED O=C(CN[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)Nc1ccc(F)cc1Cl 540520704 QGCHNTYUXIGANV-HNNXBMFYSA-N 428.735 5.330 30 20 IKED Cc1cc(F)ccc1-n1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)n1 541234049 PNORSMFAIZVRNS-UHFFFAOYSA-N 440.478 5.217 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)n1 542035268 ZWCASHBVMYORCD-HNNXBMFYSA-N 426.307 5.072 30 20 IKED CCOc1cccc2cc([C@H](C)NCC(=O)Nc3ccccc3S[C@H](C)CC#N)oc12 543516661 KAQXNNLMVHIJMY-SJORKVTESA-N 437.565 5.515 30 20 IKED COc1cc([C@@H](C#N)NC(=O)c2ccc(C)cc2Sc2ccccc2)cc(OC)c1OC 544059018 OEJNBVCTHPBXNS-HXUWFJFHSA-N 448.544 5.167 30 20 IKED CC(C)NC(=O)Nc1ccc(-c2noc(/C=C\c3cn(CCC#N)c4ccccc34)n2)cc1 544900275 PJKZLXVTBPSZHU-RAXLEYEMSA-N 440.507 5.305 30 20 IKED Cn1c(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)nnc1N1CCC(CC#N)CC1 548958343 VHXNZVBXFGUZNA-UHFFFAOYSA-N 442.954 5.481 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3cc(C#N)ccc3Cl)C2)n1 552222263 PNPXFWDBFZWLAF-MRXNPFEDSA-N 437.952 5.364 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cccnc1C(F)(F)F 552459311 MKOPZMZBWZYFSS-UHFFFAOYSA-N 430.270 5.410 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cc(F)c(F)cc1Br 554448109 YMUFJYRIPZMSDQ-NSHDSACASA-N 440.313 5.301 30 20 IKED CCOc1cc(-c2nnc(SCc3cccc(C#N)c3F)o2)cc(OCC)c1OCC 557434598 SIVUPLSKGYIHAJ-UHFFFAOYSA-N 443.500 5.236 30 20 IKED C=CCc1cc(CNC(=O)Nc2cc(Cc3ccccn3)ccc2C)cc(OC)c1OC 558852434 AVLOUEAWYIQGIX-UHFFFAOYSA-N 431.536 5.048 30 20 IKED N#Cc1cc(Sc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccccc2)ncn1 559491017 UKBAHVJVOKLGPL-UHFFFAOYSA-N 439.331 5.113 30 20 IKED N#CCCN(C(=O)CCc1nc(C2(c3ccc(F)cc3)CCCCC2)no1)c1ccccc1 578449153 FQRCIMUYSXRRDH-UHFFFAOYSA-N 446.526 5.338 30 20 IKED C[C@H](NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2cccc(F)c2)no1 579688488 YWBWGYZRBQPFJW-JTQLQIEISA-N 433.327 5.764 30 20 IKED CCc1ccc([C@H](C#N)NC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)cc1 584435356 DBLNGKVJKIFOEH-FQEVSTJZSA-N 435.574 5.036 30 20 IKED N#CCCn1ncc(C(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)c1-c1ccccc1 586855007 IDYCPWVYSGREMZ-HSZRJFAPSA-N 448.954 5.015 30 20 IKED N#Cc1cnc2c(F)cc(F)cc2c1NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 589600759 DPCASRZRARTESY-UHFFFAOYSA-N 445.351 5.152 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(CNC(=O)C4CCCC4)cc3)n2)cc1 590208562 VGKRAHQJLWAZJC-JOCHJYFZSA-N 443.572 5.415 30 20 IKED N#Cc1ccc(N2CCC3(CC2)Nc2ccccc2C(=O)N3c2ccc(Cl)cc2)cc1 602760726 RGSLCKGLFDHEEM-UHFFFAOYSA-N 428.923 5.281 30 20 IKED O=C(Nc1ccc(F)c(Br)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 608336436 ONSNIPHVZSVERU-HTQZYQBOSA-N 437.153 5.183 30 20 IKED CC[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C1CCCCC1 608797517 XVYOWNHTRGLREI-GMAHTHKFSA-N 437.971 5.409 30 20 IKED Cc1cccc(C)c1Oc1ccccc1NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 608995776 ZBTBNUJOENXYTF-UHFFFAOYSA-N 441.535 5.153 30 20 IKED CC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 609036604 JCHZYDXAIIGODT-NRFANRHFSA-N 443.572 5.040 30 20 IKED CC(C)[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1nc(C2CC2)no1 609047414 ZVTBQZHRUUPKFA-QFIPXVFZSA-N 445.523 5.111 30 20 IKED N#Cc1cc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)ccc1F 609110501 KZRPOZVBMBQXTG-UHFFFAOYSA-N 437.434 5.003 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3Cl)o2)c1 609357636 QJPBKSYZMCGMIY-UHFFFAOYSA-N 426.929 5.046 30 20 IKED Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 609386960 APJTUXRPSZBJEM-HZPDHXFCSA-N 435.515 5.697 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 609436761 FBAQAAHTOQXDHP-YLJYHZDGSA-N 427.545 5.433 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc(C(=O)N4CCCC4)c3)cc2)cc1 609499011 IKGCUHKRXMYVNV-UHFFFAOYSA-N 425.488 5.033 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccccc3OCC(F)(F)F)c2)c1 609641509 BFARVBPBZCFURH-UHFFFAOYSA-N 426.394 5.331 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 609645476 KAUCQRPKCBTZID-QHCPKHFHSA-N 447.922 5.506 30 20 IKED CN(C)[C@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1c(F)cccc1F 609683098 YPTMNAGALBTBJE-JOCHJYFZSA-N 436.462 5.053 30 20 IKED Cc1cc(OCc2ccccc2)ccc1NC(=O)Nc1ccccc1SC[C@H](C)C#N 609772736 HZDCFRXEWMEZHO-GOSISDBHSA-N 431.561 6.470 30 20 IKED C[C@@H]1C[C@H](N(C)C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CCN1Cc1ccccc1 609995406 BEDPFNSFTDRNND-JIPXPUAJSA-N 438.575 5.427 30 20 IKED CS[C@@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1ccccc1 610040572 XFLDZVCJQBDPRF-GOSISDBHSA-N 447.507 5.667 30 20 IKED COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1ccccc1SCc1ccc(C#N)cc1 610240962 BRWXDHLXONYRRQ-QFIPXVFZSA-N 430.529 5.113 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 610290690 WFYLRZHDMAYVKR-UHFFFAOYSA-N 429.867 5.145 30 20 IKED N#C[C@H](NC(=O)c1sc(-c2ccccc2)nc1C(F)F)c1cccc(Cl)c1Cl 611185790 IMRAEJBSDWMQSE-ZDUSSCGKSA-N 438.286 6.049 30 20 IKED Cc1cccc([C@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c2ccccn2)c1 611225635 BIZIVVLBBABSIY-VWLOTQADSA-N 435.487 5.360 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)s1 611809288 TZDPOPPXXBBOLO-UHFFFAOYSA-N 439.953 5.072 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(CSc4nccn4C)o3)n2)cc1 613319253 XECDXPCOVVQXLR-QGZVFWFLSA-N 434.546 5.227 30 20 IKED CCCCN(Cc1ccccc1F)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 622093115 YMGGURWSOYCTRU-HUUCEWRRSA-N 442.419 6.047 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1cc(-c2ccc(C)cc2)no1 642252623 LWGCWBIYGMEYRW-UHFFFAOYSA-N 436.512 5.438 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C(=O)c1ccccc1)C(C)C 643092409 IQJKXOYXQJVSOB-QFIPXVFZSA-N 425.529 5.182 30 20 IKED O=C(Nc1ccc(F)cc1OC1CCCC1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 676275763 ZBYYDHLGHSBESI-RYUDHWBXSA-N 442.375 5.742 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(CC)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 726573629 NNPZQZDHLZMKHC-UHFFFAOYSA-O 441.620 6.139 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cnc(-c2ccccc2)s1 727254711 XTXVYXXUYSWKHF-UHFFFAOYSA-N 428.542 5.439 30 20 IKED N#CCOc1ccc(CNC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1 727677089 NTTYCNQZMMDUTG-UHFFFAOYSA-N 425.724 5.694 30 20 IKED CC(C)Cc1ccc([C@@H](NC(=O)NCc2ccc(OCC#N)cc2)c2cccs2)cc1 727844819 NXICKBLWXQXQIV-XMMPIXPASA-N 433.577 5.438 30 20 IKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCSC1=Nc1cccc(Cl)c1C 728009027 LQLVHBWYCBBNBU-NRFANRHFSA-N 439.968 5.176 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)O[C@@H](c2ccncc2)c2ccc(F)cc2)o1 728414470 QZUUGNMBZLUFEW-XMMPIXPASA-N 428.419 5.211 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2nc(C)c(-c3ccccc3)o2)cc1 730396113 NHHJVENAKYYULB-VGSWGCGISA-N 429.520 5.444 30 20 IKED Cc1cc(SCC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c(C)cc1Br 730421717 NRLYFMMVGQEMGY-CYBMUJFWSA-N 449.370 5.783 30 20 IKED COc1ccc(-c2nc(S[C@H](C)c3ccc(C(F)(F)F)cc3)nc(O)c2C#N)cc1 730465077 WIRSFVYAHYWUNW-GFCCVEGCSA-N 431.439 5.602 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(-c2ccc(F)cc2)cs1 730949607 XYQGGHRGRSKYCT-CQSZACIVSA-N 443.594 6.074 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 731078552 QCCMBHZDODRAKP-ZPMCFJSWSA-N 444.556 5.377 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 731105951 RIAKTLVDXUKXHO-VWLOTQADSA-N 445.494 5.467 30 20 IKED CCOc1ccc(-n2c(SCc3ccc(OCC#N)cc3)nnc2-c2ccccc2)cc1 731156328 OZBFGKYFHFZRKL-UHFFFAOYSA-N 442.544 5.528 30 20 IKED Cc1csc(SCc2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)n1 731349802 SHJBPPKPMKFLEW-MRXNPFEDSA-N 439.631 6.390 30 20 IKED COc1ccc(OC(F)F)c(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)c1 732923570 FISGPKWFURCSFJ-UHFFFAOYSA-N 445.278 5.033 30 20 IKED C#CCN(C(=S)Nc1ccccc1CC)[C@@H]1CCOc2ccc(Br)cc21 733087066 NPIAVAPGFSDORN-LJQANCHMSA-N 429.383 5.167 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Oc3cccc(NC(=O)c4cccs4)c3)o2)cc1 734116044 FUOMPAKIIPZIHJ-UHFFFAOYSA-N 444.468 5.263 30 20 IKED C[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccc2c(c1)CC(=O)N2C 735009883 QQRDUDYMIPXNIL-OAHLLOKOSA-N 445.906 5.014 30 20 IKED FC(F)Oc1ccc(NC(=S)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1Cl 735628380 YDHYEFGERMWJCO-UHFFFAOYSA-N 442.759 5.455 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C/C(=O)c1cccc(N2CCOC2=O)c1 740765104 PTEJYTUBPOZYTD-ZHACJKMWSA-N 435.911 5.054 30 20 IKED COc1ccc(-c2nc(SCCOc3cc(Cl)cc(Cl)c3)nc(O)c2C#N)cc1 741475052 FBTWMVAEXCDLOI-UHFFFAOYSA-N 448.331 5.207 30 20 IKED c1ccc(-c2nc3c(s2)C(=NNc2nc(-c4ccccn4)nc4c2CCC4)CCC3)cc1 741812951 FYVLXFPHBMGXGD-UHFFFAOYSA-N 438.560 5.303 30 20 IKED COc1ccc2cc(/C=C\C(=O)c3ccc(S(=O)(=O)CC(F)(F)F)cc3)ccc2c1 741841754 HNROJMOWTHERFM-JYOAFUTRSA-N 434.435 5.081 30 20 IKED Cc1ccc(-c2ccc(/C=C/C(=O)c3ccc(S(=O)(=O)CC(F)(F)F)cc3)o2)cc1 741843938 RQPJULWDYPSVHV-XYOKQWHBSA-N 434.435 5.487 30 20 IKED COc1ccc(-c2nc(S[C@@H](c3ccccc3)c3ccc(F)cc3)nc(O)c2C#N)cc1 741850128 ODPVULWUUMJGAE-QHCPKHFHSA-N 443.503 5.750 30 20 IKED C=CCc1cc(OCC)cc(CNC2(c3ccc(Br)cc3)CCOCC2)c1O 742540758 WNMSIPUCSPBQFX-UHFFFAOYSA-N 446.385 5.077 30 20 IKED C=CCNC(=S)/C(=C(/O)c1cnn(-c2ccccc2)c1)[n+]1ccc(C(CC)CC)cc1 743052068 CVUVIKXIFYCGPI-UHFFFAOYSA-O 433.601 5.050 30 20 IKED CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc(C#N)o2)NC(=S)N1c1ccccc1 743738364 GHMTYHNNTWNPKO-HSZRJFAPSA-N 442.544 5.117 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1 744584342 FHHDLHOSTKHOCG-UHFFFAOYSA-N 436.880 5.051 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)C1CCC(c2ccccc2)CC1 745501486 MLPFXENBZOJXBZ-KMFTYDHNSA-N 436.577 5.394 30 20 IKED C=CC[C@H](NC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)Cc1cccs1)c1ccncc1 745827856 OHJFZTRSINKHIZ-JPYJTQIMSA-N 440.012 6.257 30 20 IKED COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)c(F)c1 745998753 QDCQZEVWNQLVLI-XBXARRHUSA-N 432.423 5.150 30 20 IKED N#Cc1ccccc1N1CCC(NC(=O)c2ccccc2OCc2ccc(Cl)cc2)CC1 747337387 QGWOWCZSMSYRPQ-UHFFFAOYSA-N 445.950 5.189 30 20 IKED C=CC[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1)c1ccncc1 752724952 DDWMKWZDMLMJFA-WZONZLPQSA-N 431.561 5.307 30 20 IKED C/C(=C/c1ccccc1Cl)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 756516851 XIHUYPAQWKYJGC-DNCJFXNASA-N 430.891 5.883 30 20 IKED C#CC[C@H](NC(=O)Cc1csc(-c2cc(Br)cs2)n1)c1ccccc1 757620721 CVCJKWSOGKPYFQ-INIZCTEOSA-N 431.380 5.057 30 20 IKED C#CC[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)c1ccccc1 757762308 OBOYHPGDJDOESK-GOSISDBHSA-N 441.409 5.437 30 20 IKED N#C[C@H](C(=O)Cn1c(C2CCCCC2)nc2ccccc21)c1nc2ccccc2n1C(F)F 762033593 CNKVMQOAJUSNNM-QGZVFWFLSA-N 447.489 5.705 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(C#N)s2)cc(Br)c1OC(F)F 762438086 KMLQCBFQOGTWLJ-HYXAFXHYSA-N 428.254 5.278 30 20 IKED C=CCn1c(-c2cccs2)nn(CN2CCO[C@H](c3ccccc3Cl)C2)c1=S 764971108 QIWZKVBCPQZHAT-KRWDZBQOSA-N 433.002 5.013 30 20 IKED CC(C)c1ccc(C[C@@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 766606257 VROPQWUOKAEFBA-IBVKSMDESA-N 439.559 5.151 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)c2)s1 769123120 ZOARFHLLZAFPFN-UHFFFAOYSA-N 432.505 5.069 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(CC(=O)N(Cc2ccco2)c2ccccc2C#N)c1 772224757 ALDYECZAJNTTDN-UHFFFAOYSA-N 431.492 5.274 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1cn(C)c2ccccc12 773984938 WYIJNNJTSNTKFZ-IUODEOHRSA-N 427.451 5.787 30 20 IKED C#CCCCCC(=O)N(C[C@@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 776303596 MJVNVKVOSGRYIR-SFHVURJKSA-N 436.499 5.535 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3cccc(C(C)C)c3)o2)cc1OC 776516724 NBJBZXCGQWWWQF-IBGZPJMESA-N 432.476 5.048 30 20 IKED N#CCc1ccccc1CC(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 776982258 FGCCDPZXQKCTCD-UHFFFAOYSA-N 428.879 5.323 30 20 IKED COc1ccc(C2(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)CCCC2)cc1OC 777304316 QEKGFWFKTMVPAJ-INIZCTEOSA-N 439.462 5.137 30 20 IKED C=CC[C@H](NC(=O)N[C@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccncc1 777741988 YYLIAPVFNWOTQX-FDFHNCONSA-N 430.955 5.015 30 20 IKED C#CC[C@H](NC(=O)NCc1cc(-c2c(OC)ccc3ccccc23)no1)c1ccccc1 778717091 MCSOQGAZENNEHQ-QFIPXVFZSA-N 425.488 5.067 30 20 IKED C[C@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 779845569 QLCRZIIRZMCKBN-OAHLLOKOSA-N 428.897 5.224 30 20 IKED C[C@@H](NC(=O)[C@@H](C#N)C(=O)Cc1cccc(C(F)F)c1)c1ccc(Cl)cc1Cl 790796368 XVFMIVXXRDMYDC-BZNIZROVSA-N 425.262 5.060 30 20 IKED CCCc1c(NC(=S)Nc2cc(Cl)ccc2OC)cnn1-c1cccc(C#N)c1 792683791 VUHKFKLGTWLWHY-UHFFFAOYSA-N 425.945 5.167 30 20 IKED Cc1nc(-c2ccccc2)sc1C(=O)/C=C\c1ncc(I)s1 794707807 NFAMAPQHNYJWPO-FPLPWBNLSA-N 438.315 5.076 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)n2)cc1 810533393 YKXSWMJYLLWUHH-CYBMUJFWSA-N 438.862 5.172 30 20 IKED N#Cc1ccc(/C=C2/SC(=S)N([C@@H]3CCOc4ccccc43)C2=O)c(C(F)(F)F)c1 811624730 ORBAHWGIKLWIGO-VHWUNXFSSA-N 446.475 5.302 30 20 IKED N#C[C@H](C(=O)Cc1cscc1Br)c1nc2cc(C(F)(F)F)ccc2s1 815913152 JFXMCSDDYXUZNC-SNVBAGLBSA-N 445.285 5.558 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1sc2cccc(F)c2c1Cl 883978415 MZLAJMPTVDMHPC-YUMQZZPRSA-N 447.803 6.333 30 20 IKED CCCOc1c(Cl)cc(C=NOCc2coc(-c3cccc(F)c3)n2)cc1OCC 914572417 WIHXSMKOYNCMEF-UHFFFAOYSA-N 432.879 5.872 30 20 IKED N#C[C@H](C(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1nc(-c2ccccc2)cs1 915102382 ROKRFDPQEQGOBA-QGZVFWFLSA-N 434.908 5.323 30 20 IKED CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c12 915598559 SDOSMMWZLSTNBD-JOCHJYFZSA-N 436.515 6.131 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2cccc(OCC#N)c2)ccc1OCc1ccccc1 916682422 MTCMAISATRIDPY-SFHVURJKSA-N 431.492 5.059 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C=C\c1cc(C)n(C2CCCCC2)c1C 916904143 XGQYQBKMWVNITG-SSVKHQHASA-N 445.607 6.096 30 20 IKED COCc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)oc2ccccc12 916911047 UVXLAMDHYOWRTF-LJQANCHMSA-N 440.455 5.333 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)Nc3ccc(CC)cc3)s2)cc1 916911928 DTCZHTSVPLINRV-FQEVSTJZSA-N 433.533 5.041 30 20 IKED Cc1csc(SCc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc2)n1 917026082 WJMRKQRTMJKICG-IBGZPJMESA-N 447.610 6.357 30 20 IKED Cc1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(C)n1-c1ccccn1 917343751 FASNXXHUCMJLJZ-UHFFFAOYSA-N 436.515 5.387 30 20 IKED Cc1ccc(Cn2nc(C)c(/C=C\C(=O)c3ccc(OCc4nccn4C)cc3)c2C)cc1 917517808 LBKPFNMMDYLWHI-YPKPFQOOSA-N 440.547 5.065 30 20 IKED O=C1Nc2ccccc2C12CCC(=NNc1ncnc3sc(-c4ccccc4)cc13)CC2 917536435 VZPYJIDSMCUOIF-UHFFFAOYSA-N 439.544 5.590 30 20 IKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2cccc3ccccc23)s1 917652504 HHQSGGHBBGARIG-OAQYLSRUSA-N 449.601 5.010 30 20 IKED Cc1ccccc1C1(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)CCOCC1 920112955 NWEDFKZGHCCSHK-INIZCTEOSA-N 444.478 5.548 30 20 IKED Cc1ccc([C@@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2cccc(C)c2C)s1 920174963 XQSYEJGTEXEOQR-OXQOHEQNSA-N 441.622 5.035 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)nn3C(F)F)CCC2)cc1 1789455731 AZJUQWQFRKDKJS-LJQANCHMSA-N 442.510 5.103 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)n3C)CCC2)cc1 1791248316 ZABANIQRCKCOED-HNNXBMFYSA-N 433.474 5.004 30 20 IKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2scc(-c3ccccc3)c2[nH]1 1799145634 ANVLESKNGOTZPC-RSPOEFSDSA-N 447.604 5.360 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3occc3c2)[C@@H]1c1cccnc1 1802498185 MRMUPTDAEZHKSE-LADGPHEKSA-N 445.563 5.140 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2ccccc2C)[C@H]1c1cccnc1 1802501383 MUORAHCWIAXALP-RSXGOPAZSA-N 447.623 5.021 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)/C=C/c3ccc(F)cc3F)CC2)C1 1804859789 MVKWVMGSPHFOIK-CSKARUKUSA-N 444.566 5.202 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)c(Cl)cc3C)n[nH]2)C1 1821335466 BUXRKZHKAGCWHY-LJQANCHMSA-N 447.366 5.297 30 20 IKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2occc2C)CC1)c1ccccc1 1827738316 PSQSERAIZCWPLO-DQEYMECFSA-N 446.591 5.019 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)Cc2ccco2)CC1 1829071266 QWHYEOJKNGBNHW-OFNKIYASSA-N 428.617 5.070 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2SC)CC1 1829483391 NEQXLYPQZSFRRO-NRFANRHFSA-N 443.657 5.029 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccccc2Cl)CC1 1831369502 CCWWTGKTTBNVPI-AUSIDOKSSA-N 431.020 5.105 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)ccc(Cl)c2F)CC1 1832687527 CPNYYPIRGOUGRU-KXBFYZLASA-N 438.946 5.064 30 20 IKED C#CCCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CCC(c2ccc(Cl)cc2)CC1 1847621898 YCMSGDPMAPQLCC-SSKZOSGOSA-N 441.015 5.009 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2cccc(O)c2)cc1C 10179093 JYRVJMOAJYTJBL-UHFFFAOYSA-O 446.379 5.654 30 20 IKED C[C@H](Sc1ccc(C(F)(F)F)cn1)C(=O)Nc1sc2c(c1C#N)CCCCC2 10535962 WOWPOFZPEAABJX-NSHDSACASA-N 425.501 5.422 30 20 IKED CC(C)(C)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccccc2F)cc1 22696121 OTYPGYIOGHTIEY-UHFFFAOYSA-O 443.514 5.740 30 20 IKED C=CCn1c(S[C@H]2CCCCC2=O)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 28610620 WDVUHNGIFVZSHN-KRWDZBQOSA-N 428.554 5.362 30 20 IKED Cc1ccc(-c2cnc(CCC(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)o2)cc1 32290036 RBRGRKJJGUXNQP-UHFFFAOYSA-N 437.499 5.672 30 20 IKED COc1ccc(N2CCCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)cc1 71983542 WLXIRMBBYKKMTD-UHFFFAOYSA-N 443.572 5.071 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2sc(-c3ccc(Cl)s3)nc2C)cc1 111183513 UTVSOIPRIXEOCV-UHFFFAOYSA-N 431.970 5.793 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(c2ccccc2Cl)CCOCC1 303324749 RVXITXXUWCBZGO-UHFFFAOYSA-N 447.922 5.394 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCC[C@]3(CC=CCC3)C2)c1 303632849 YXQMINIHIQEWGQ-AREMUKBSSA-N 445.588 5.252 30 20 IKED C=CC[C@H](CC)NC(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 410136448 RWNHNTOBYXOCPV-HOCLYGCPSA-N 427.595 5.157 30 20 IKED CC[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 429116864 SRKFYWCHUHZVLP-VWLOTQADSA-N 443.547 5.137 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(c4ccncc4)CC3)cc2Cl)c1 429742173 GPSBSUXQCCDUDS-UHFFFAOYSA-N 446.938 5.597 30 20 IKED Cc1nc([C@H]2CCCOC2)sc1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 431337103 LZIVRDPTMNOELX-NRFANRHFSA-N 449.551 5.199 30 20 IKED Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1sc2ccc(C#N)cc2c1C 431748989 JOAORXHTGJKULD-UHFFFAOYSA-N 441.560 5.627 30 20 IKED Cc1c(C#N)cccc1NC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 432833878 YZUPVIGLKTYWGJ-UHFFFAOYSA-N 432.320 5.001 30 20 IKED CN(C)C(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(Cl)c1 435055391 BVPAQWGIONSXRG-UHFFFAOYSA-N 434.883 5.350 30 20 IKED N#C[C@@H](C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1)c1ccc(C(F)(F)F)cn1 437550824 SRJQEABXXYCTOX-QGZVFWFLSA-N 425.341 5.538 30 20 IKED CC(C)Oc1ccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(C(F)(F)F)c1 438012597 QFPYWCJTAPTCPE-GHTZIAJQSA-N 431.458 5.796 30 20 IKED Cc1noc(C)c1CCNC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 438546163 OLWRGMZTHPTUSS-UHFFFAOYSA-N 444.413 5.338 30 20 IKED N#CCC[C@@H](NC(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1)c1ccccc1 438854866 XSHSZDPIFIYIHZ-OAQYLSRUSA-N 446.378 5.386 30 20 IKED CCCC(=O)Nc1cccc(NC(=O)Nc2cnn(-c3cccc(C#N)c3)c2CCC)c1C 439240852 VWWCJRGMWONOCC-UHFFFAOYSA-N 444.539 5.388 30 20 IKED CN(C(=O)Cc1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1)c1ccccc1 439307482 WTCYKCPDLMPTEZ-DEOSSOPVSA-N 426.520 5.059 30 20 IKED Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)Nc2ccc(CC#N)cc2)c(Br)c1 439338736 GVTOYFHRJSUBIB-FQEVSTJZSA-N 442.357 5.037 30 20 IKED Cc1ccc(C(=O)N[C@@H](CC(=O)N[C@H](CCC#N)c2ccccc2)c2ccccc2)cc1 439648513 AQENKFWIYXPGBD-RPBOFIJWSA-N 425.532 5.018 30 20 IKED N#Cc1cc(NC(=O)C(=O)Nc2cccc(Sc3ccc(Cl)cc3)c2)ccc1F 441734011 AGTBYWMVSKKYHA-UHFFFAOYSA-N 425.872 5.079 30 20 IKED C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C1 441759037 JCDAORNVZAEHCY-WMLDXEAASA-N 445.441 5.003 30 20 IKED N#CCCCOc1cccc(NC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c1 444858410 MPOULELLJOBSNK-KRWDZBQOSA-N 429.801 5.587 30 20 IKED CSc1cccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 446338494 ASXUZCVBQPGIOC-HXUWFJFHSA-N 435.936 5.295 30 20 IKED CCc1ccc([C@@H](N[C@@H](CC)c2ccc(C#N)cc2)c2cccc(S(C)(=O)=O)c2)cc1 447541960 HRNSPAAMUARXHI-IZZNHLLZSA-N 432.589 5.354 30 20 IKED N#Cc1cccc(-c2cc(C(=O)N3CCCCC[C@H]3c3noc(-c4ccccc4)n3)on2)c1 469751159 GOSPKHOKUSSJGX-NRFANRHFSA-N 439.475 5.021 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3cccc(SCC#N)c3)C2)n1 470406372 CLOQDTPIZYFQBD-SFHVURJKSA-N 449.601 5.454 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)c1cc(C)c(F)cc1Cl 471212692 MVYWZUKQTHACKH-UHFFFAOYSA-N 449.910 5.258 30 20 IKED C=CCN(C(=O)c1cc(C)oc1C(F)(F)F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 471349151 BNPXMBYDJQHGFR-UHFFFAOYSA-N 437.399 5.471 30 20 IKED C[C@@H]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)[C@H]1c1cccc(F)c1 472704700 ZIOLMZWKBZSBLX-NIYFSFCBSA-N 443.522 6.086 30 20 IKED C[C@H]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)[C@@H]1c1cccc(F)c1 472704701 ZIOLMZWKBZSBLX-SIBVEZHUSA-N 443.522 6.086 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F 473790205 UJEGHVCCMKURLW-UHFFFAOYSA-N 430.430 5.120 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2cccc(COC(C)(C)C)c2C)cc1 475644494 LLKIAXFEHWEZPS-UHFFFAOYSA-N 435.568 5.768 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(Cl)ccc1I 476123537 PLDMNSFJTAYAHH-UHFFFAOYSA-N 439.724 6.049 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(Oc2ccccc2OC)cc1 477281338 WVPAPTFANKFQRG-UHFFFAOYSA-N 432.520 5.394 30 20 IKED C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1)c1ccc(F)c(F)c1 477644374 LUBHTFSYABXKDP-OAQYLSRUSA-N 439.462 5.115 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CC1 479199247 ZHJPBVXTGBTZDW-GZNCHQMQSA-N 446.576 5.405 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CC[C@H](COCc3ccccc3)C2)cc1 479852957 RCQCNCIJCZFOLS-NRFANRHFSA-N 428.557 5.388 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@@H](CC)c2ccc(Cl)cc2)nnc1-c1ccco1 480439575 OZFCUKOIIIZDFS-KRWDZBQOSA-N 430.961 5.127 30 20 IKED CN(CC(F)F)C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482340848 ACXVCLLGWIPWFR-JTQLQIEISA-N 432.233 5.234 30 20 IKED CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)CSc2ccc(C#N)cc2)cc1 482790453 PIQRFKBBPVZHDO-UHFFFAOYSA-N 443.572 5.839 30 20 IKED Cc1cc(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)c(C#N)cc1N(C)C 485507169 QVNDHFRRXHCKMT-UHFFFAOYSA-N 440.956 5.182 30 20 IKED CC(=O)c1cc(NC(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)ccc1F 486861966 MJXXZDLYNHJZRN-INIZCTEOSA-N 436.327 5.862 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1-c1ccccc1C 488904216 ZZWBBICTVPOCFE-MRXNPFEDSA-N 426.973 5.521 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)C2CCCCC2)nnc1-c1ccccn1 488928735 HDLXYINMKFZNAZ-QHCPKHFHSA-N 447.608 5.056 30 20 IKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1noc(-c2ccccc2)n1 490569705 YRYXXEBHWCLIRP-KRWDZBQOSA-N 440.528 5.392 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F 498098458 OLAPICPUTRTVEU-GJZGRUSLSA-N 426.410 5.732 30 20 IKED CC(=O)N1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC12CCCCC2 499594989 LXODVOKKGFWERP-UHFFFAOYSA-N 446.551 5.058 30 20 IKED C=CCC[C@H](NC(=O)CCc1cc2ccccc2nc1O)c1ccc(C(F)(F)F)cc1 502573735 WOUNYWDDXRKUPS-FQEVSTJZSA-N 428.454 5.716 30 20 IKED COCCSc1ccc([C@H](C)NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 504704076 SPKDATKXGKENCW-IBGZPJMESA-N 446.572 5.367 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 504934699 JFYZBTWWPIRNAY-XMMPIXPASA-N 430.939 5.288 30 20 IKED C=CCNc1ncc(C(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)s1 505436329 IFOLPZUIOPWKEB-UHFFFAOYSA-N 437.912 5.382 30 20 IKED Cc1nc(COc2cccc(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)c2)cs1 505511172 AQZSMQIPEOQZIS-SFHVURJKSA-N 432.332 5.332 30 20 IKED O=C(Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)c1cc(F)c(F)c(F)c1F 510545841 HVUSMGZHZWOFOG-UHFFFAOYSA-N 430.279 5.701 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)c1 512210032 BWLBTERNWVNEQC-UHFFFAOYSA-N 435.483 5.922 30 20 IKED N#C[C@H](C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cn1 513202560 RVMGELYHZHYQNT-KRWDZBQOSA-N 443.812 5.496 30 20 IKED Cn1c([C@@H]2CCCN2C(=O)c2cccc(COc3ccccc3C#N)c2)nc2ccccc21 513239320 WZVMOAWFDQGFRV-DEOSSOPVSA-N 436.515 5.001 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1NC(=O)c1ccccc1F 513673180 YCCWFXHUAPZYMQ-KRWDZBQOSA-N 429.476 5.486 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2F)C(C)C)nnc1-c1ccc(OC)cc1 514773754 KBRCLUBJEYBJHN-FQEVSTJZSA-N 440.544 5.034 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)o1 516626720 CLAJPMULJWAUNI-UHFFFAOYSA-N 436.880 5.154 30 20 IKED CCN(C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)[C@@H](C)c1ccc(C#N)cc1 517655301 MPSFXHNAEDPAOS-HNNXBMFYSA-N 437.952 5.749 30 20 IKED CC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)c12 518209145 OHRKXGVUOYCJQH-INIZCTEOSA-N 429.307 5.525 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 518259140 HAYXSIAWOJNGBR-VFNWGFHPSA-N 441.984 5.330 30 20 IKED Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 518379269 OCUTXYMBRAPNFQ-UHFFFAOYSA-N 439.515 5.342 30 20 IKED COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 519451406 CXBFSJUUZSSUQY-OXJNMPFZSA-N 425.554 5.325 30 20 IKED C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 521308592 ZWUYDSRKLKHBJA-OAQYLSRUSA-N 439.559 6.164 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CCCOc3ccc4c(c3)CCC(=O)N4)cc2)c1 521789750 FZIJLIAZHPXKMW-UHFFFAOYSA-N 441.487 5.033 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 522222395 QSIHXNRKEHITSB-UHFFFAOYSA-N 427.464 5.446 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)c1cccc(Cl)c1Cl 522813016 FNUIJZOOHSZCJP-QWHCGFSZSA-N 436.364 5.204 30 20 IKED C[C@H]1CCCCN1C[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 522844182 JEJKPRGZTGTHNE-LEWJYISDSA-N 432.568 5.469 30 20 IKED Cc1ncc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c(C(C)C)n1 523703502 RXVLGCWOVILIEB-UHFFFAOYSA-N 445.470 5.099 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NC[C@H]2CCN(c3ccccc3)C2)c1 523942085 SWTJLAACTGPKFG-GOSISDBHSA-N 431.923 5.260 30 20 IKED Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)n1 532500290 LIBWLKRLYCGLRO-HSZRJFAPSA-N 446.938 5.863 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nn1-c1ccccc1Cl 537381851 RUQXAUCWMKVWRI-KRWDZBQOSA-N 443.919 5.319 30 20 IKED O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccc2nc(C(F)F)[nH]c2c1 537610157 SZZZLAKKCHLEOM-CYBMUJFWSA-N 435.299 5.135 30 20 IKED C[C@H](N[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(NC(=O)c2ccccc2)c1 539229062 KFUAYNIZBMYQSC-DLBZAZTESA-N 446.938 5.142 30 20 IKED CC(C)C[C@@H]1C[C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCO1 539718409 TWHRSMUHBTZTPD-TUNNFDKTSA-N 425.960 5.711 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@@H](C)c2nc(C(C)(C)C)cs2)n(Cc2ccccc2)c1C 541655275 VIQPDUKMALYYRF-KRWDZBQOSA-N 449.624 5.068 30 20 IKED C[C@@H](NC(=O)N[C@H]1CCOC2(CCSCC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 542079137 WTHSRHYRQNSVGC-JPYJTQIMSA-N 435.593 5.030 30 20 IKED CC(=O)N1CCc2c(NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cccc21 547398181 QLSMEIAJQSJPMX-NRFANRHFSA-N 444.922 5.548 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@H]3c3nc4ccccc4s3)cc2)ccn1 558507716 PCSZSXDCEIYUPU-NRFANRHFSA-N 441.516 5.724 30 20 IKED COC(=O)C[C@@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc2ccccc12 562166065 WOXYQCHXZXTNAG-VGOFRKELSA-N 447.560 5.517 30 20 IKED Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 564104437 YQWVATWZVCZMOF-UHFFFAOYSA-N 435.343 5.545 30 20 IKED Cc1nc(-c2ccc(NC(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)cc2)cs1 569443520 JTMJLXAIVDKDGR-UHFFFAOYSA-N 436.512 5.205 30 20 IKED O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)N1CCC(CC(F)(F)F)CC1 571605454 LFLHEOHMAPCXFZ-UHFFFAOYSA-N 438.347 5.227 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N 583073063 VQKNMMWPEBDKPJ-LBPRGKRZSA-N 437.487 5.094 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc3sccc3c2)cc1 583112216 MFRBKYXCMXEYFL-UHFFFAOYSA-N 427.529 5.868 30 20 IKED C=CCN(C(=O)c1cnc2onc(C(C)C)c2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 589969951 KBUHAEVCDQSWSP-UHFFFAOYSA-N 449.492 5.211 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N(CCc1cccc(F)c1)C1CC1 603754522 DOTFHNQIUTYHMM-KBPBESRZSA-N 440.403 5.452 30 20 IKED C[C@@H](NC(=O)[C@H](Oc1ccccc1Br)c1ccccc1)c1ccc(C#N)cc1 603755140 BJPDYOLQFBYHLJ-OPAMFIHVSA-N 435.321 5.318 30 20 IKED CCC(=O)Nc1cccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 603809369 RQKKPSRIVNGZKR-JOCHJYFZSA-N 446.938 5.666 30 20 IKED N#CCc1ccc(OCc2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)cc1 603980651 AJSNWLUDLGGXIU-UHFFFAOYSA-N 428.513 5.286 30 20 IKED CCN(C(=O)c1cc2c(OC)ccc(Br)c2[nH]1)[C@H](C)c1ccc(C#N)cc1 604343354 RMJGQHDXDCQDIV-CYBMUJFWSA-N 426.314 5.034 30 20 IKED CCOC(=O)c1sc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)c(C#N)c1C 604480623 VYVJGKFKHDETTD-UHFFFAOYSA-N 445.953 5.063 30 20 IKED O=C(c1cc(C2CC2)nc2ccc(F)cc12)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 608116683 FVNSMGSOMDAPDB-RYUDHWBXSA-N 434.355 5.454 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3csc(-c4c(F)cccc4F)n3)cn2)c1 608786023 OJLVTTCCJOFLKR-UHFFFAOYSA-N 434.427 5.400 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3csc(Cc4ccccc4)n3)cc2)c1 609064040 QRIRSOAEUHUABI-UHFFFAOYSA-N 439.540 5.366 30 20 IKED Cc1nc(-c2ccc(CCNC(=O)Nc3ccccc3SC[C@@H](C)C#N)s2)cs1 609399449 YBIHYKNIDVDLLV-AWEZNQCLSA-N 442.635 5.796 30 20 IKED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609438025 XYPPZXGISHLGST-KRWDZBQOSA-N 439.471 5.255 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1cc(C)ccc1SCC(F)(F)F 609908334 PBXQOALJHPUDNY-UHFFFAOYSA-N 438.471 5.327 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](COCc1ccccc1)c1ccccc1 610142645 FRRPXQXQWZONEZ-YKSBVNFPSA-N 445.588 6.160 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ncoc2-c2ccccc2Cl)cc1 610226605 RBYLXAFPEKRZQP-UHFFFAOYSA-N 445.862 5.920 30 20 IKED C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 611557013 YDFJHHZBOZBQLB-RHSMWYFYSA-N 435.421 5.471 30 20 IKED C=CCN(Cc1cccs1)C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 612283020 WFVORBBPJKOOIF-UHFFFAOYSA-N 442.588 5.558 30 20 IKED Cc1cccc2sc(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)c(Cl)c12 615820360 CQDHCWLJURLCLY-UHFFFAOYSA-N 437.952 5.698 30 20 IKED C=C(C)[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)c(F)c1 681329825 RDSRCAJUHZOQHR-ZOWXZIJZSA-N 430.339 5.354 30 20 IKED CCOc1cc(/C=C/C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)ccc1OC(F)F 727267833 SOZNLDGJASHFCR-FNORWQNLSA-N 436.367 5.016 30 20 IKED N#CCOc1ccc(CNC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)cc1 727675425 ABAKXRRGMFJIMO-UHFFFAOYSA-N 428.275 5.013 30 20 IKED O=S(=O)(Nc1ccccc1)c1ccc(NN=Cc2csc(-c3cccs3)n2)cc1 728429894 RPWBRUSASSHLMY-UHFFFAOYSA-N 440.575 5.118 30 20 IKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCCCC#N)cc1 728777766 NXMNETAFZYDFIV-JOCHJYFZSA-N 448.592 5.464 30 20 IKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nnn1-c1ccccc1Cl 728813301 KTJMIBRCAJQWSJ-FQEVSTJZSA-N 427.895 5.137 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/Oc3c(Cl)cccc3C2=O)cs1 729149233 DSAOAEUXMXOZGJ-RQZCQDPDSA-N 431.300 5.751 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@H](C)Sc1ccc(Cl)cc1 731065688 LBPJZJZYLTUNHZ-GJZGRUSLSA-N 448.997 5.254 30 20 IKED CCCCCCn1nc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccc2c1=O 731332374 JXPRIQCQGDLOBA-SFHVURJKSA-N 448.592 5.623 30 20 IKED N#C[C@H](C(=O)c1cccnc1SC(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1 733679826 PLQAGBJGUFMQFM-CYBMUJFWSA-N 439.871 5.960 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(CO[C@@H]3CCC[C@H](C)C3)c2)c1 733844191 HKTVDHMHKLEIFW-WUMKDDEVSA-N 435.568 5.785 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](COc2ccccc2F)c2ccccc2)c1 733847339 CUJWQKWAANEULZ-ZJSXRUAMSA-N 447.510 5.126 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 733957692 BFYJLSARZJTFPZ-IBGZPJMESA-N 441.535 5.201 30 20 IKED Cc1c(F)cccc1-c1ccc(C=NN2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)o1 734294540 AATYKXSJCIWVPJ-UHFFFAOYSA-N 443.390 5.086 30 20 IKED C[C@H]1CN(Cc2ccccn2)CCC1=NNc1ncnc2sc(-c3ccccc3)cc12 734361416 CSXXRLMPCUFXQJ-KRWDZBQOSA-N 428.565 5.063 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1Cl 740329501 RBRMIVXJIHTIRY-LBPRGKRZSA-N 427.806 5.108 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](CCO)c3cccs3)cc2Cl)cc1 741062309 NCXKPGXPDHOXBX-SFHVURJKSA-N 427.913 5.311 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CC[C@@H]2c2ccc(Cl)cc2)c1=S 742173984 OLCZXDNXJMXIMO-LJQANCHMSA-N 426.973 5.334 30 20 IKED CCN(C(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 742575918 JTWSGRNUXOQBLW-MSYCTHLASA-N 435.568 5.370 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)/C=C(/C)c2cccc(C(F)(F)F)c2)ccc1OC 742674314 NAMWYJGEGXSCCE-XZGNNNQISA-N 432.442 5.115 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2c(O)ccc3ccccc23)c1 744761305 DPPIVUDAHOTZRH-UHFFFAOYSA-N 432.549 5.319 30 20 IKED CCOc1cc(/C=C2/CCc3cc(O)ccc3C2=O)ccc1OCC(=O)Nc1ccccc1 750553804 AJHADRIAHRCCSN-ZHZULCJRSA-N 443.499 5.021 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2F)cs1)c1ccc(F)cc1F 752881109 JDGHKWAQSXXPIK-XVNBXDOJSA-N 447.394 5.049 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 756921169 CJCAVFIWEFNMKE-HXUWFJFHSA-N 449.551 5.036 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=S)Nc1ccc(C#N)c(Cl)c1 759130864 YOAJAZLJVWGZJI-AWEZNQCLSA-N 426.998 6.033 30 20 IKED Cc1nc(-c2ccccc2NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)no1 761365089 JSYJDBQDCZJKCK-UHFFFAOYSA-N 430.851 5.615 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 764824550 ZAFCDRHUKDMCGE-IBGZPJMESA-N 428.275 5.033 30 20 IKED Cc1ccnc(C2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)n1 775520805 XUXHTOLNSRNETM-JOCHJYFZSA-N 445.954 5.505 30 20 IKED N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 780305398 JFCPNPFEXMUCGT-QGZVFWFLSA-N 437.952 5.388 30 20 IKED N#CCCCn1cc(C(=O)OCc2nnc(-c3cc4c(s3)CCCC4)o2)c2ccccc21 785018309 OLVOBOWACGBJRV-UHFFFAOYSA-N 446.532 5.292 30 20 IKED Cc1ccc2cc(C(=O)[C@@H](C#N)C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)ccc2n1 787048952 JFBURMLTNJVMGK-FZKQIMNGSA-N 426.303 5.050 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)c1ccc(Br)s1)c1ccc(Cl)cc1Cl 787050923 GLLICERHLPKQKB-GZMMTYOYSA-N 446.153 5.017 30 20 IKED C=CC[C@]1(C(=O)Nc2cccc(NC(=O)CCC)c2C)CCCN1C(=O)OC(C)(C)C 790504616 UCANJPGFZNYVEF-XMMPIXPASA-N 429.561 5.018 30 20 IKED CCCCCCCN(C(=O)NCc1cccnn1)[C@H](C)c1ccc(Br)cc1 793193583 VSUFQHUDFSXBIB-QGZVFWFLSA-N 433.394 5.482 30 20 IKED CC(F)(F)CCOC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 797225888 CXHNMOLRAUWHTB-UHFFFAOYSA-N 433.711 5.079 30 20 IKED CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(c2ccc([C@H](C#N)c3ccccc3)cc2)C1=O 804204172 QUXGYQXINCXTLF-RDGATRHJSA-N 429.907 5.357 30 20 IKED CC[C@@](C)(C#N)C(=O)Oc1ccc(Sc2ccc(OC(=O)[C@](C)(C#N)CC)cc2)cc1 807928276 CXXRZOFZDGRKGQ-ZEQRLZLVSA-N 436.533 5.528 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)OC(=O)c1cccc(C#N)n1 810593053 RJGBSVPTCVBOAI-GFCCVEGCSA-N 428.311 5.066 30 20 IKED C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCCC(CC)(CC)CC1 812187951 HCMBMAUBONBIKW-UHFFFAOYSA-N 439.604 5.077 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H](Cc2ccccc2Cl)c2cccs2)ccc1OC 813860566 RCLPITFICHDSTR-TZIWHRDSSA-N 440.996 6.165 30 20 IKED C=CCOc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 913366849 WMCBWWAGKLHWKT-NSHDSACASA-N 428.699 5.396 30 20 IKED CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915087873 AWWHCHFEAOEGMD-VWLOTQADSA-N 439.559 5.398 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCC(=O)c1ccc2ccccc2c1 916901728 OQTFYPCENUDESW-IBGZPJMESA-N 448.906 5.121 30 20 IKED CC(C)C(=O)Nc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916909767 QYXSCYXVVSJRTQ-NRFANRHFSA-N 441.487 5.035 30 20 IKED Cc1cccc(-c2nc(CC(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cs2)c1 916919604 YEOXPEKLHJJQJE-OAQYLSRUSA-N 425.513 5.162 30 20 IKED CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C\c2csc(-c3ccc(C)cc3)n2)cc1 918713096 OVJSVQUQBFZHSU-QINSGFPZSA-N 440.590 5.045 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)c(Cl)c3)n2)cc1 920139841 ZHFLQJZVZVCSIQ-BLLLJJGKSA-N 447.343 5.769 30 20 IKED Cn1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)c(-c2cc3ccccc3o2)n1 920368207 IRMSBYPTNSATDP-UHFFFAOYSA-N 448.939 5.253 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(C)ccc4[nH]3)CCC2)cc1 1786366258 WKZZGXIQQZLJFZ-UHFFFAOYSA-N 445.563 5.207 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H](F)c4ccccc4)cc3)CCC2)c1 1786614351 JYSAVGISQLXRHJ-HSZRJFAPSA-N 427.479 5.017 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3nccc4[nH]ccc34)cc2)CCC1 1788465031 OAIRYCMLTWGCJW-UHFFFAOYSA-N 430.552 5.303 30 20 IKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@@H]4c4ccccc4)cc3)CCC2)cc1 1791527126 NSCNYNDZXHCBNY-FTJBHMTQSA-N 449.554 5.039 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccc(Cl)cc3)CC1)C2 1798593337 FHUCSXYYCXITEE-WKCHPHFGSA-N 429.004 5.002 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3ncccc3c2)n[nH]1 1818478719 YZKGODMEJLPEPT-OFNKIYASSA-N 443.551 5.032 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3sccc3[nH]2)[nH]n1 1819307735 YJTLTODPIBPDMI-BEFAXECRSA-N 437.569 5.027 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2sccc2Cl)n[nH]1 1819957043 GVBGLDUMQUXSCK-RHSMWYFYSA-N 432.977 5.199 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H](C)c2ccccc2)n[nH]1 1822040672 IUBUXYBOCCFWCE-LSWJPFSZSA-N 434.584 5.364 30 20 IKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)CC1 1831307832 PUGSFELYWROBBS-NRFANRHFSA-N 437.411 5.122 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1F)=C(/S)Nc1cccc(C)c1C 10168014 VKUTZYMZHVPVPD-UHFFFAOYSA-O 425.524 5.482 30 20 IKED Cc1ccc(-c2csc3ncnc(S[C@H](C)C(=O)Nc4ccccc4C#N)c23)cc1 10496627 ARAUQIDLTXZRPV-OAHLLOKOSA-N 430.558 5.658 30 20 IKED Cc1ccc(-c2nnc(SCC(=O)N(CCC#N)c3cccc(Cl)c3)o2)cc1C 10845523 NFGVJCMRZREFHM-UHFFFAOYSA-N 426.929 5.046 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccc(Cl)cc1Cl 14133483 IVEDKTVTJWKGFE-UHFFFAOYSA-N 433.364 5.477 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2cccc(CC)c2)cc1 14872006 MKNOXHXYHFTOBK-UHFFFAOYSA-O 438.016 6.193 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccc(N(C)C)cc2)c1 14872196 LQGFSPDTVKKOKO-UHFFFAOYSA-O 445.033 5.368 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C)cc2)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 22695150 GOAMVNYWTIBVBC-UHFFFAOYSA-O 444.407 6.203 30 20 IKED N#Cc1ccc(CSCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 58515715 BGPKWRDTZUGESZ-UHFFFAOYSA-N 429.520 5.031 30 20 IKED C=CCn1c(S[C@@H](CC)C(N)=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 72086385 GUDHCVFCQJKYBN-QFIPXVFZSA-N 443.576 5.011 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1csc(-c2ccccc2)n1 106116851 AEHXXJISAWRZNJ-UHFFFAOYSA-N 426.501 5.359 30 20 IKED Cc1cccc(NC(=O)CN(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)c1C 255944869 ZQZBQOJUTVTXOD-UHFFFAOYSA-N 443.572 5.178 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccncc3)Cc3cccnc3)cc2)c1 303505537 AZACCULLOSMMSM-UHFFFAOYSA-N 435.487 5.375 30 20 IKED N#CCCn1ncc(C(=O)Nc2cccc(Cl)c2Br)c1-c1ccccc1 429024429 ALVFCTVHZDOGJM-UHFFFAOYSA-N 429.705 5.132 30 20 IKED C=CCC[C@H](NC(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1ccccc1 429084022 LYUZOBVNLUYEAQ-VWLOTQADSA-N 444.579 5.313 30 20 IKED CC(C)(C)OC(=O)[C@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 429104983 QDJKNAYFFRIXAB-FXAWDEMLSA-N 439.943 5.191 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 429707233 YMSCAWRCAJECNB-RXVVDRJESA-N 437.906 5.028 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3ccc(C#N)cc3Cl)c2)cc1 430363197 VCRYSZONVQJQEK-UHFFFAOYSA-N 432.907 5.565 30 20 IKED Cc1ccc(CN(Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H]2CCc3ccccc32)cc1 435126906 SGZMIRXLTDFRSC-MUUNZHRXSA-N 447.586 5.857 30 20 IKED CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)Nc1ccccc1S[C@H](C)CC#N 438040894 VMGOOHFRPXFMQG-IFMALSPDSA-N 436.625 5.457 30 20 IKED CC(C)(C)Oc1ccc(NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 438776507 VTLGGIIBCCAYKQ-UHFFFAOYSA-N 429.476 5.105 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3c[nH]cc3-c3ccc(F)cc3)cc2F)c1 460874501 IVHVQAVODMSYMT-UHFFFAOYSA-N 429.426 5.663 30 20 IKED COCCOCc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 463513175 ODBZDOYBOFKMHS-UHFFFAOYSA-N 445.519 5.144 30 20 IKED C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 463592334 PAGYUMMUJNWJMR-UHFFFAOYSA-N 426.488 5.170 30 20 IKED O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 464731708 WMNBIRQTSBWCBD-UHFFFAOYSA-N 433.283 5.181 30 20 IKED CN1CCC(=O)Nc2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)ccc21 468439493 QVOWGXHLHMTUSW-FQEVSTJZSA-N 444.922 5.026 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@H](C)C(=O)c1cccc(F)c1 468953110 KSCVGIKDPMRWQQ-SFHVURJKSA-N 430.479 5.432 30 20 IKED COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 470374781 QGXIINOXNFNNQQ-HNNXBMFYSA-N 440.883 5.050 30 20 IKED CCCN(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[C@H](C)c1ccccc1OC 470546306 KPRPBLVTEPFHFN-LJQANCHMSA-N 448.567 5.283 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccncc1Br 477089872 OWGLIGNZOIWJKZ-UHFFFAOYSA-N 430.249 5.121 30 20 IKED N#Cc1cccc(OCCCSc2nnc(COc3ccccc3Cl)n2C2CC2)c1 477517914 FJLNYBYXTILDSF-UHFFFAOYSA-N 440.956 5.278 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1 477699010 WVHBYZZVUXGPDC-UHFFFAOYSA-N 447.486 5.127 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F 478073919 XMMRNTCAFSSTHV-IBGZPJMESA-N 447.457 5.081 30 20 IKED C=CCn1c(SCCC(=O)Nc2cccc(F)c2C)nnc1-c1cccc(Cl)c1 480378245 RDZDSRMALOSQKA-UHFFFAOYSA-N 430.936 5.353 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCO4)cc2)cc1 480381950 XLBHRHVNTOZTDF-JOCHJYFZSA-N 427.460 5.448 30 20 IKED C=CCSc1ccccc1NC(=O)CN[C@H](c1ccccc1)c1nc2ccccc2n1C 481416711 IKEGZZDOHGAWLD-RUZDIDTESA-N 442.588 5.169 30 20 IKED C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 482971744 AAOIGGDKHKCBAF-IBGZPJMESA-N 429.520 5.132 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NC3(c4ccc(Cl)cc4)CC3)c2)c1 483801718 JSUYWWJIGNHCMW-UHFFFAOYSA-N 430.895 5.275 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)N[C@@H](C)c3ccc(CC)cc3)o2)cc1 489787504 FSHFNESUSUXBOD-IRXDYDNUSA-N 437.565 5.222 30 20 IKED O=C(Nc1cccc(-c2noc(C(F)(F)F)n2)c1)N[C@H](c1ccc(F)cc1)C(F)(F)F 490501554 ARIRCNGLECYPCA-CYBMUJFWSA-N 448.298 5.320 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccc(Br)c(F)c1 494747523 UNEBDHXFZPAKSR-ZDUSSCGKSA-N 436.350 5.504 30 20 IKED CCCCCC(=O)NC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 498808328 VMPWNUJHOFHRBR-UHFFFAOYSA-N 448.567 5.352 30 20 IKED N#Cc1ccc(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1C(F)(F)F 499486949 RFSGXKWZCTWBCJ-UHFFFAOYSA-N 438.780 5.980 30 20 IKED N#C[C@H](C(=O)c1ccc(CCC(F)(F)F)cc1)c1nc(-c2c(F)cccc2F)cs1 504552218 BFFJJCFHVSZBFH-CQSZACIVSA-N 436.405 6.073 30 20 IKED COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)N(CCC#N)CC2CC2)s1 505180945 ZQMIXJWIQVYJJN-UHFFFAOYSA-N 446.576 5.257 30 20 IKED COc1ccc(-c2nc(CSc3nc4c(c(-c5ccco5)c3C#N)CCC4)no2)cc1 505473754 XMIXDOMMMDLBQV-UHFFFAOYSA-N 430.489 5.053 30 20 IKED CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1 506198992 MENMTLBTNQLFDL-QHCPKHFHSA-N 427.932 5.152 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-c2ccccc2Cl)o1 508387115 ZSZDNYPJKDLSNF-UHFFFAOYSA-N 429.863 6.220 30 20 IKED CN(Cc1nc2ccccc2s1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510007400 XZQOQWPKSKXCTB-IBGZPJMESA-N 446.963 6.269 30 20 IKED CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510007684 WJSMUZIWEJODSZ-QHCPKHFHSA-N 433.939 6.058 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N(Cc3ccco3)C[C@@H]3CCCO3)c2)cc1 510608373 LAQACEXFSQSMRL-VWLOTQADSA-N 445.519 5.138 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H](c2ccccc2)c2ccccn2)cc1 511320885 OKBVZTMNEUYJGF-HHHXNRCGSA-N 448.526 5.638 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCNC(=O)c2ccc(F)cc2)cc1Cl 512194259 HJASTRJEVKIHOP-JOCHJYFZSA-N 449.913 5.283 30 20 IKED C=C(CNC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 512660451 NIJAOFYJTUGAIP-UHFFFAOYSA-N 432.351 5.067 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)NCc2ccc(Oc3ccccc3)nc2)c1 513285322 XTFMEHRQPDHKEG-UHFFFAOYSA-N 435.483 5.255 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1 513682835 YXFHAUKJQMXLHT-LJQANCHMSA-N 425.538 5.950 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1-c1ccccc1F 514955261 NJGMQOZHIDZGCP-CQSZACIVSA-N 430.936 5.351 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCCOc1ccccc1F 518151639 UGPZNDORFIASHI-UHFFFAOYSA-N 426.435 5.648 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)CCc1ccc(Br)cc1 518681685 FSPYXFKNLGTQKI-JKSUJKDBSA-N 446.414 5.844 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 519913868 SSQLKMMLSXGXPZ-FQEVSTJZSA-N 432.568 5.263 30 20 IKED C[C@@H]1CN(Cc2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)cc2)C[C@@H](C)O1 519977927 KGYWCTVFGJIZTH-WOJBJXKFSA-N 441.531 5.212 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cc2)cc1 520542181 TYAAAXSBTKSGQA-UHFFFAOYSA-N 440.547 5.399 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3cccc(C#Cc4ccccn4)c3)CC2)c(C)c1 522075002 JRSHSWPMZVCSLO-UHFFFAOYSA-N 437.543 5.225 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCSC[C@@H]3c3ccccc3)c2)cc1 522429957 GQGCFQRZINRBML-RUZDIDTESA-N 443.572 5.654 30 20 IKED CCn1cnnc1-c1ccccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 522577106 VSLXOOLQHQZGFW-UHFFFAOYSA-N 443.894 5.535 30 20 IKED COc1cc(CS[C@@H](C)C(=O)Nc2ccccc2C)ccc1OCc1cccc(C#N)c1 522646920 LVKOJZJXZLXSGJ-IBGZPJMESA-N 446.572 5.715 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)c2)cc1 524188621 QZFOLKJKOBCROV-FQEVSTJZSA-N 439.540 5.980 30 20 IKED C[C@H](Oc1ccccc1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1ccccc1 524532251 JYRFWNNTMSJECT-IBGZPJMESA-N 448.544 5.156 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)c1ccc([N+](=O)[O-])cc1F 525391883 FOGQUGHESIVGJV-UHFFFAOYSA-N 442.312 5.659 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)nnc1-c1cccnc1 525518163 AFEHCPOIIHRFDD-AWEZNQCLSA-N 438.944 5.007 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(C4CC4)cn3)s2)c(C(F)(F)F)c1 530786425 KCRLADSBCNBMKC-UHFFFAOYSA-N 428.439 5.149 30 20 IKED C=CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 539594564 VMSOBIQPNZYHHT-UHFFFAOYSA-N 430.489 5.106 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)c3cnn(C(C)C)c3n2)s1 539681396 JOSJFSPVEXMAFQ-MRXNPFEDSA-N 441.516 5.680 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)c2cccc(OCc3cscn3)c2)cc1 540196975 GQKPYTXZLXCNNT-UHFFFAOYSA-N 425.513 5.191 30 20 IKED CC[C@@](C)(COc1ncccc1Cl)NC(=O)Nc1ccccc1S[C@H](C)CC#N 541969548 GGVBONPJVKGFDH-VFNWGFHPSA-N 432.977 5.498 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 543351275 WHXWALVDTDCVNS-MRXNPFEDSA-N 434.540 5.565 30 20 IKED CCOc1ccc(Oc2cc(CNC(=O)N(Cc3ccc(C#N)cc3)C3CC3)ccn2)cc1 543356153 CZMHKDMXKVHTEY-UHFFFAOYSA-N 442.519 5.018 30 20 IKED CCCOc1cccc(-c2noc(C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n2)c1 546374097 PXGWSOIOHYQNAH-UHFFFAOYSA-N 445.479 5.029 30 20 IKED N#CCCn1cc(/C=C\c2nc(-c3ccccc3Oc3cnccn3)no2)c2ccccc21 547091097 CKSNHKLMEJJFNB-KHPPLWFESA-N 434.459 5.358 30 20 IKED Cc1c(NC(=O)c2cc(C(F)(F)F)ccc2F)nnn1Cc1ccc(C(F)(F)F)cc1 549125253 DANAWQUUPBFINF-UHFFFAOYSA-N 446.326 5.064 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 549338451 STRODIWXTRDNKT-UHFFFAOYSA-N 442.353 5.233 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 553121601 ZVIKQSXSALWKCB-UHFFFAOYSA-N 446.555 5.268 30 20 IKED CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)CCN(c2ccc(Cl)cc2C#N)CC1 553235193 LGCFBYZDVAINFS-LQLSTCSOSA-N 448.010 5.755 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 555576295 YVAZMUMZERUPKL-UHFFFAOYSA-N 425.439 5.236 30 20 IKED Cc1c(NCc2ccc(C#N)cc2C(F)(F)F)cccc1-c1nnc2n1CCCCC2 568692197 YDJIAAYALNKDHB-UHFFFAOYSA-N 425.458 5.483 30 20 IKED N#C[C@@H](NC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 569735353 URNPGDUYYCZAKW-OAHLLOKOSA-N 439.315 5.374 30 20 IKED CC(C)(c1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1)C(F)(F)F 573708920 XHKQJFZQTMVHRG-UHFFFAOYSA-N 434.433 5.221 30 20 IKED N#Cc1ccc(C[C@H](C#N)c2nc(-c3cc(Cl)ccc3OCC(F)(F)F)no2)cc1 579160810 QBPAXCJPHNOSHT-CQSZACIVSA-N 432.789 5.053 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2c(Br)cc(F)cc2Br)c1 588957830 SXIDBQNSRZUHDD-UHFFFAOYSA-N 432.474 5.128 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@H](c4cc5ccccc5[nH]4)C3)cc2)ccn1 589365248 CVDFHDPVLYRAHA-IBGZPJMESA-N 437.503 5.638 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2n[nH]c(/C=C\c3ccccc3)n2)n(C2CCCC2)c1C 598953357 RYOAZAFHTLGQRW-SEYXRHQNSA-N 446.580 5.111 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cc(C3CC3)nc21 603764500 IZQKPPUTEGBFHS-UHFFFAOYSA-N 438.491 5.201 30 20 IKED COc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc(OC)c1OC 604026981 QUBSJWGQPJRPMV-UHFFFAOYSA-N 438.867 5.282 30 20 IKED CCCN(Cc1ccccc1F)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 604500560 SJIHMCGXUZZOTI-UHFFFAOYSA-N 441.557 5.285 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@@H](Nc3ccccc3)C2)cc1 609207049 FTTAQKHZXQHPAX-HSZRJFAPSA-N 426.520 5.050 30 20 IKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 609306302 LTFOGWSEHWERPF-RLWLMLJZSA-N 444.506 5.730 30 20 IKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccccc1SC[C@H](C)C#N 609376461 CDHKNTHLRDDPIE-MRXNPFEDSA-N 443.576 5.322 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CCc3ncc(-c4ccccc4F)o3)cc2)c1 609426818 HWJDLBQKWKOPAO-UHFFFAOYSA-N 427.435 5.716 30 20 IKED COc1cc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)ccc1NC(C)=O 609727287 HPHZLLVYKBYZDX-UHFFFAOYSA-N 435.867 5.223 30 20 IKED COc1cccc(NC2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)c1 610111798 FTOTXOFKIYIFCM-UHFFFAOYSA-N 443.572 5.435 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4ccc5ccccc5n4)cc3)o2)c1 613291208 WHJDPHFZKDTKJK-JOCHJYFZSA-N 430.467 5.750 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N(Cc1cccc(F)c1)C1CC1 616089944 JEJXDXXPGCFTCS-STQMWFEESA-N 426.376 5.409 30 20 IKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 616847226 UZVRBKWOWJBPKL-UHFFFAOYSA-N 426.925 5.347 30 20 IKED CC(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 619849573 DDUVHZLKGPEERO-SANMLTNESA-N 429.568 5.310 30 20 IKED O=C(NC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccc(F)c(C(F)(F)F)c1 622559575 APVSNHBNGCAYDZ-UHFFFAOYSA-N 435.339 5.299 30 20 IKED COc1ccc(/C=C2\CCc3nc(-c4ccccc4)sc3C2=O)cc1OCCCC#N 727266892 JEQJGYUZCBWHDN-XDJHFCHBSA-N 430.529 5.714 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc(C4SCCS4)c3)cc2)cc1 731963538 MGXVVOXBUYERLG-UHFFFAOYSA-N 432.570 6.276 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1nc2ccccc2n1C(F)F 733081139 OTGXSINHFQUWJA-UHFFFAOYSA-N 447.371 5.138 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=S)Nc1ccc(OC(F)F)c(Cl)c1 735624727 ZXNKCTYAIVCGRW-UHFFFAOYSA-N 427.860 5.235 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cc1 744766707 QQDQTIZYTLJFEE-RUZDIDTESA-N 434.543 6.235 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCCC[C@@H]2c2cccc(C)c2C)ccc1OC 745819673 ONCDQLCLYFPWAZ-FYYLOGMGSA-N 435.568 5.430 30 20 IKED C=C(C)COc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)ccc1OC 747043085 XMQCVHJCASHLJD-UHFFFAOYSA-N 428.945 5.070 30 20 IKED Cc1ccc(-c2ncc(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)s2)c(C)c1 747112111 QALDZPXFMDMIMN-HNNXBMFYSA-N 427.888 5.181 30 20 IKED CCOc1c(Cl)cc(/C=C(\C(=O)Nc2cccnc2)C(=O)c2ccccc2)cc1OC 747127695 HBIWNZDUYWUGOC-UNOMPAQXSA-N 436.895 5.047 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nc(C4CC4)no3)cc2)cc1 751825825 CFWQLADBEQUVRN-VFNWGFHPSA-N 428.492 5.089 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1C#N 752866484 YMENQVHKDPZFIK-UHFFFAOYSA-N 448.093 5.388 30 20 IKED N#CCOc1ccccc1C(=O)N[C@@H](c1cccc(F)c1)c1cccc(Br)c1 759482922 NQUANOHOPJNBSD-OAQYLSRUSA-N 439.284 5.010 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(NC(C)=O)cc(C(F)(F)F)c2)cc1 761039137 SBJLYBQBLBAFMB-RBZFPXEDSA-N 445.441 5.138 30 20 IKED C=CCc1cc(CN[C@H](c2ccccc2)c2nc(-c3ccccc3)no2)cc(OC)c1OC 762636363 ZDBWQLUWCLWRHM-XMMPIXPASA-N 441.531 5.362 30 20 IKED N#C[C@@H](C(=O)[C@H]1CCCN1Cc1ccc(F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 768781495 BWYITYSLTMADRG-FUHWJXTLSA-N 447.457 5.295 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cccn1[C@@H](C)Cc1ccccc1 773769774 LBFDXCXIZOLQOA-HKUYNNGSSA-N 449.938 5.223 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(C)ccc2SC2CCCC2)ccc1OC 776323655 WOROSGFUYIBNJF-LJQANCHMSA-N 438.593 5.649 30 20 IKED N#Cc1cc(NC(=O)c2ccc(S[C@@H]3CCOC3=O)cc2)ccc1Oc1ccccc1 779201653 FQVOYIGBYOOXIY-JOCHJYFZSA-N 430.485 5.010 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 782514789 WEHKNBAASUQKAM-DFBJGRDBSA-N 438.531 5.467 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nc(C(F)(F)F)cs1 785680137 YLLFPJKDXYGINW-DYVFJYSZSA-N 430.455 5.700 30 20 IKED CC[C@@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(Sc2ccccc2C#N)cc1)c1ccccc1 787040793 MVUKBGQCFYCLKK-XZOQPEGZSA-N 439.540 5.299 30 20 IKED CCOc1ccccc1-c1nnc(S)n1N=Cc1cnc(-c2ccc(Cl)cc2)s1 788981921 XSRATTLPEPNUCF-UHFFFAOYSA-N 441.969 5.292 30 20 IKED CSc1nc(C2CC2)cc(C(=O)O[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)c1C#N 792734664 MLJLVMIYWINDET-OAHLLOKOSA-N 437.565 5.168 30 20 IKED O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccncc1)c1nc(Br)ccc1F 794969316 HYINFVWUEHEDAE-VURMDHGXSA-N 449.283 5.127 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCc2nc3cc(Br)ccc3s2)s1 797573757 VWQLEEOCSNRCJE-LBPRGKRZSA-N 448.411 5.622 30 20 IKED Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)c2Cl)cc1 799446128 GDPDGBDGMBRMIA-UHFFFAOYSA-N 448.832 5.224 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2ccc(Oc3cccnc3)cc2)c1 806808744 MGJLJNUVBOWECU-NQIIRXRSSA-N 430.508 5.115 30 20 IKED C[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1ccc(S[C@H]2CCCCNC2=O)cc1 809049668 ZXMJLBCPHNSVNF-HARLFGEKSA-N 436.577 5.139 30 20 IKED COc1ccc2[nH]c3c(c2c1)C(=O)/C(=C/c1cc(OC)c(OCC(F)F)c(OC)c1)CC3 809157731 NACCJFJPXWKCHX-RIYZIHGNSA-N 443.446 5.050 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 812310270 QZLAXWYKBQAEHZ-UHFFFAOYSA-N 447.542 5.853 30 20 IKED Cc1ccc2snc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c2c1 815907433 ALQUBNPJXBJBPJ-SFHVURJKSA-N 427.485 5.358 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(OC(F)F)c(Cl)c1 883977682 RTIVWZSJYXELSY-MYJAWHEDSA-N 439.730 5.581 30 20 IKED CCN(CC)C(=O)Nc1ccc(C(C)=NNc2nc(C(F)(F)F)nc3ccccc23)cc1 914772904 GFYJHLDUZNZEMF-UHFFFAOYSA-N 444.461 5.358 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ncc(-c4ccccc4F)o3)n2)cc1 915100582 VXFMSIOBLLZODK-GOSISDBHSA-N 431.492 5.722 30 20 IKED C[C@@H](N/C=C1\C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21)c1ccc(C#N)cc1 915184949 ATJGFEZWTLLABH-KQRQPNSISA-N 427.891 5.090 30 20 IKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C)c1 916207907 OLAJIONBPBUCSS-SFHVURJKSA-N 449.498 5.384 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 916936296 GRDZROYCXGCBKB-CQSZACIVSA-N 448.306 5.526 30 20 IKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cn(Cc2ccccc2)c2ccccc12 916937419 DWAAFZAIUQZMCI-IBGZPJMESA-N 445.881 5.443 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(NC(=O)c3ccco3)c2)cc1 916949576 PFQRBVIZFRUNIH-KKSFZXQISA-N 429.476 5.007 30 20 IKED C[C@@H](Oc1cccc(F)c1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996674 NQEYQSFWIQAAED-BDJLRTHQSA-N 435.307 5.900 30 20 IKED Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1Cc1csc2ccccc12 917661945 TUPXBIIEOPGNKX-NRFANRHFSA-N 449.601 5.010 30 20 IKED N#C[C@H](COC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Cc1ccc(F)cc1 920876200 FVUQSWPTTNRLPW-OAHLLOKOSA-N 448.441 5.436 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl 921131141 GZTWPWOHAMWNJN-JTQLQIEISA-N 436.345 5.448 30 20 IKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CC4)CCC3)cc2)[nH]c2c(Cl)cccc12 1788502654 XVNDRNVHIWXFCM-UHFFFAOYSA-N 446.938 5.181 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccc4cnccc4c3)cc2)CCC1 1789015395 WWTREQFXINLMFH-UHFFFAOYSA-N 435.474 5.194 30 20 IKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(C#Cc4ccccc4)cc3)cc2)CCC1 1790689437 HUZNZDROTIQTGG-UHFFFAOYSA-N 447.538 5.138 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cccc4ccncc34)cc2)CCC1 1790862424 SHHFRYOAUQIAHM-UHFFFAOYSA-N 425.532 5.176 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4nccc-4c3Cl)CCC2)cc1 1791727385 JOENGYCVANZHMB-UHFFFAOYSA-N 448.954 5.109 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccc(NC(C)=O)c3)cc2)CCC1 1792137278 KTJZHBVMKDRFIQ-UHFFFAOYSA-N 447.579 5.385 30 20 IKED CC(C)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCC#C[Si](C)(C)C)C3)cc1 1799707874 CBOCZYCMAAZSBP-BKFWDETESA-N 438.688 5.113 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C3CC3)cc2)[C@H]1c1cccnc1 1802499116 FWOKVPFQOFUUDD-DQEYMECFSA-N 445.607 5.271 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3[nH]ccc3s2)n[nH]1 1818786440 DQTREKIFBNHQJV-QGZVFWFLSA-N 439.585 5.251 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ncsc23)[nH]n1 1819306856 HGKSFWKCEMYSIF-UZLBHIALSA-N 449.580 5.094 30 20 IKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)[nH]n1 1822584646 ZICWSGDSUVZEKK-JXVRESAISA-N 444.535 5.055 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3cnccc23)CC1 1824142473 RQUFWAIUTSNNSX-SANMLTNESA-N 445.607 5.237 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C3CCCC3)CC2)c1 1830351408 MBWUQGNNPWGSGJ-ONKPFOERSA-N 447.623 5.293 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1CC 21849206 VBLLGPNAQLQBIP-OAHLLOKOSA-N 447.029 5.375 30 20 IKED CC(C)c1ccc(C(=O)/C(=C(/S)NC2CC2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22688798 VBEZZIXKWVLXKQ-UHFFFAOYSA-O 429.609 5.379 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(\S)Nc2cc(Cl)cc(Cl)c2)c1 23604685 KFIFLRJISVHFPV-UHFFFAOYSA-O 433.384 5.585 30 20 IKED CC(C)(C)c1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1 63235882 GGBNSDGPFPZTCG-LBPRGKRZSA-N 436.389 6.361 30 20 IKED Cc1sc2ncnc(SCC(=O)Nc3ccccc3S[C@H](C)CC#N)c2c1C 78665669 CAEVBPKQQDJGKV-GFCCVEGCSA-N 428.608 5.433 30 20 IKED CSc1ccc([N+](=O)[O-])c(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 108948324 MTYGHVQCJQAVEY-UHFFFAOYSA-N 435.480 5.170 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC2CCN(CCc3ccccc3)CC2)cc1 195634891 JJWAIMIANRJSON-UHFFFAOYSA-N 440.547 5.179 30 20 IKED CS(=O)(=O)c1cccc([C@H](Nc2ccc(C#N)c(Cl)c2)c2ccc(F)c(F)c2)c1 301468623 NLPFDGXCBROCPY-NRFANRHFSA-N 432.879 5.095 30 20 IKED C[C@H](NCc1cc(S(C)(=O)=O)ccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 409872941 XBUISYXDCZSXMC-JTQLQIEISA-N 443.384 5.118 30 20 IKED Cc1ccc(NC(=O)Nc2cccc3c2CCN(CCCC2(C#N)CCOCC2)C3)cc1 410366644 HQIIELWMGQQQFE-UHFFFAOYSA-N 432.568 5.098 30 20 IKED N#CCCN(CC1CC1)C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 429044323 JLNOMLCNRITALA-UHFFFAOYSA-N 445.445 5.507 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccccc2SCc2cn3ccccc3n2)s1 430583148 MFDCEZNLWLCQAG-SFHVURJKSA-N 446.601 5.871 30 20 IKED COc1ccccc1CSc1ccccc1NC(=O)N(CCC#N)Cc1ccccn1 431720849 BRJWJPHAXZUUII-UHFFFAOYSA-N 432.549 5.330 30 20 IKED N#C[C@H](C(=O)c1cc(C2CC2)nc2ccc(Cl)cc12)c1nc2ccccc2n1C(F)F 435460592 YYBRAOQSIKSNIU-MRXNPFEDSA-N 436.849 6.000 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1cnc2ccccc2c1)c1ccc(C(F)(F)F)cc1 442098554 LTQVJADKGFDMFF-FQEVSTJZSA-N 427.426 5.016 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)c1cnc(-c2ccncc2)s1 460152661 UULQRCSSSASQGM-UHFFFAOYSA-N 430.920 5.577 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)nnc1-c1ccc(F)cc1 466620515 UXUOWQYTZPXWGC-ZDUSSCGKSA-N 441.919 5.827 30 20 IKED COCC[C@H]1CCCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 467158910 FHSIHEQFOBCJOV-GCJKJVERSA-N 425.960 5.666 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C 467368736 WWYQIKGIOBHOMN-GOSISDBHSA-N 445.567 5.588 30 20 IKED CCOCCOCc1cccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1C 467609023 UFRIRLPBHKJUFB-UHFFFAOYSA-N 445.519 5.856 30 20 IKED CCC(C)(C)N(CCC#N)C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 471166883 YOOCWVCRUHCIDD-UHFFFAOYSA-N 442.357 5.246 30 20 IKED N#C[C@@H](C(=O)c1cc(O)nc(C2CC2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 473483025 MUYBVSINSDQLEE-AWEZNQCLSA-N 430.316 5.585 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 475561857 MJJJJMVKKTUKKB-RSXGOPAZSA-N 433.596 5.647 30 20 IKED CC(C)CN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@H]1CCCc2cccnc21 475977583 JQPWNLYYEUUFCS-QHCPKHFHSA-N 429.520 5.301 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cnn(-c2ccc(Br)cc2)c1C 476131001 CVZBZNKIIMWKHH-UHFFFAOYSA-N 438.369 6.047 30 20 IKED O=C(Nc1ccc(O)c(C(F)(F)F)c1)c1cnn(-c2ccccc2F)c1C(F)(F)F 476170356 QOWLALWXYJIERE-UHFFFAOYSA-N 433.283 5.007 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)Nc1ccc(F)c(C(F)(F)F)c1 477626114 ZHDOPTARZQGSSV-MRVPVSSYSA-N 426.336 5.103 30 20 IKED C=C(C)Cn1c(SCc2coc(-c3ccc(F)c(F)c3)n2)nnc1-c1ccncc1 481341496 QAIIHEIEIZYFDX-UHFFFAOYSA-N 425.464 5.142 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCc1nnc(-c2ccccc2Cl)o1 481366985 BKWJXVODOWPLOH-UHFFFAOYSA-N 439.928 5.039 30 20 IKED C=C(C)[C@@H](NCc1nc(Cc2cccc(Br)c2)no1)c1ccc(F)c(F)c1 481593987 DCULNZGBUGVMGM-HXUWFJFHSA-N 434.284 5.108 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCCc3c[nH]c4cc(F)ccc34)cc2F)c1 481683989 JESOHZVLJVKHQW-UHFFFAOYSA-N 446.457 5.261 30 20 IKED COC(=O)c1c(F)ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1F 485152350 NZDKIFUZHNGPGP-UHFFFAOYSA-N 442.805 5.321 30 20 IKED Cc1ccccc1-c1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)n(C)n1 486509618 QASQAKLFALJODU-UHFFFAOYSA-N 438.556 5.812 30 20 IKED O=C(Nc1ccnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1C(F)(F)F 487571676 JBBXSGGMNFQEEG-UHFFFAOYSA-N 431.311 5.360 30 20 IKED CC(C)n1ncc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1-c1ccccc1 489924882 NJNBDMWDLWSQFR-UHFFFAOYSA-N 449.514 5.507 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC2(CC1)OCCc1ccsc12 491888468 KPDWOVJBJKBHPI-UHFFFAOYSA-N 430.529 5.116 30 20 IKED N#Cc1cccc(-c2cnc(CNC(=O)c3ccc(COc4ccc5ccccc5c4)o3)[nH]2)c1 494627077 VLKFLYAIVMBRCM-UHFFFAOYSA-N 448.482 5.204 30 20 IKED COc1cc([N+](=O)[O-])ccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 495213659 SAWLBEJBCTXQNJ-AWEZNQCLSA-N 448.287 5.524 30 20 IKED C=CCc1cc(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)cc(OC)c1OC 498469580 WJHRHANCIQEMMM-UHFFFAOYSA-N 430.504 5.245 30 20 IKED COCCn1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c2ccccc21 500732582 LLQBROUERSQHEI-UHFFFAOYSA-N 425.488 5.512 30 20 IKED C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 501510117 KWUAMJGELPPAQI-QGZVFWFLSA-N 432.520 5.381 30 20 IKED CC(C)NC(=O)c1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 502815500 DBGUYTDWXHIAFG-UHFFFAOYSA-N 447.922 5.181 30 20 IKED CC[C@H](C)n1c(SCC(=O)Nc2cc(C#N)ccc2OC(C)C)nnc1-c1ccccc1 504060655 SJYANGSTBXYQEJ-KRWDZBQOSA-N 449.580 5.306 30 20 IKED CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 504073524 GNOYXUZDLCXHAW-CYFREDJKSA-N 437.927 5.196 30 20 IKED N#CCCCCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 505094864 VVQHBVHXADVSAV-KNTRCKAVSA-N 440.503 5.444 30 20 IKED C=CCOc1cccc(NC(=O)N[C@H](C)c2ccc(OCc3ccncc3)c(OC)c2)c1 510687140 YHKWUHKZOYVSQZ-GOSISDBHSA-N 433.508 5.117 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 510810489 DNJLFJIOAODJQQ-UHFFFAOYSA-N 425.463 5.127 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2ccc(F)cc2)C2CC2)cc1 511354165 VZURQXLTNXMBSJ-UHFFFAOYSA-N 429.495 5.667 30 20 IKED C=CCn1c(SCC(=O)c2cc(C)n(CCc3ccc(F)cc3)c2C)nnc1C1CC1 515306471 QUKFBSRDTATQKW-UHFFFAOYSA-N 438.572 5.117 30 20 IKED CN(C)c1nc2sc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cc2s1 515583535 ZIOFVKKHIPSCRV-UHFFFAOYSA-N 434.546 5.127 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 515649035 HZDVEJZSTDGQGW-RUZDIDTESA-N 442.515 5.142 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Sc4ccccn4)cc3)n2)cc1 517277788 NDHGMTYKCQVANQ-HXUWFJFHSA-N 427.554 6.155 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccco2)nc2ccccc12)c1nc2cc(Cl)ccc2s1 517952120 LRVNTALHAUFTAF-INIZCTEOSA-N 429.888 6.248 30 20 IKED Cc1ccc(Cn2nc(C)c(CCC(=O)N(CC(C)C)c3ccc(C#N)cc3)c2C)cc1 518523883 AXARSDWQSYEIKO-UHFFFAOYSA-N 428.580 5.350 30 20 IKED Cc1ccc(C2(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CCOCC2)cc1 518906106 WTCYQXFVOARXTP-UHFFFAOYSA-N 440.543 5.327 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 520154311 SWNYFZTXIRIJEF-UHFFFAOYSA-N 446.595 5.445 30 20 IKED COc1ccc(CCC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1Br 520889714 PUEMBEBTLFUWFU-HNNXBMFYSA-N 442.140 5.078 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCSc1ccccc1Br 520924219 PKTVDGHPKXKSJS-CQSZACIVSA-N 435.412 5.964 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)cc2)cc1 521954916 ILRDNOFXKWIKBQ-UHFFFAOYSA-N 447.922 5.287 30 20 IKED N#C[C@H](Sc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)C1CCCCC1 522332889 UARRDSMPRFCRKN-QFIPXVFZSA-N 432.549 5.287 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCSC[C@@H]3c3ccc(Cl)cc3)o2)cc1 522541224 ZEOCEXKRJMLZIZ-OAQYLSRUSA-N 438.936 5.314 30 20 IKED CCOc1cccc2cc([C@H](C)NC(=O)c3occc3COc3cccc(C#N)c3)oc12 523953772 UXBSAKNHXMUXEM-INIZCTEOSA-N 430.460 5.366 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1cc(Br)ccc1OC 525004104 WVHNPIMKZCLPNT-CYBMUJFWSA-N 426.401 5.215 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCS[C@H](C)[C@@H]1c1ccccc1 532968007 OAKQSYIBNFRPMU-PMAPCBKXSA-N 425.623 5.198 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)sc1Br 534691030 LPFSOCPUCIAMOL-MRVPVSSYSA-N 427.732 5.272 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H](OC3CCOCC3)c3ccccc3)cc2)c1 535355426 ROLROHAZDKDPPS-SANMLTNESA-N 442.515 5.013 30 20 IKED C=CCC[C@H](NCc1csc(N(C(C)=O)c2cccc(Cl)c2)n1)c1ccccc1 540455381 FUUVBAHSVKVRRJ-QFIPXVFZSA-N 425.985 6.278 30 20 IKED CN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 540669771 PYXHVUHNVPMFLM-PMACEKPBSA-N 426.442 5.395 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H](c4n[nH]c(-c5ccccc5)n4)C3)c2)cc1 540852210 DBUBWANVMIQNMB-JOCHJYFZSA-N 449.514 5.155 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 540854799 MBACVOUVPFIHNG-AWEZNQCLSA-N 442.441 5.468 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cccc(CN(C)Cc3ccccc3)c2)c1C 544048110 XBJLVJCUEKKVGN-UHFFFAOYSA-N 449.558 5.245 30 20 IKED Cn1ccc([C@H](NCc2cccc(OCc3ccccc3C#N)c2)c2ccc(Cl)cc2)n1 546565263 OZLDBLHGIDAUFT-AREMUKBSSA-N 442.950 5.403 30 20 IKED CC(C)c1ccc2occ(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c2c1 553991442 AHLQJPGMKBSHSL-MRXNPFEDSA-N 431.517 5.635 30 20 IKED N#CC1(c2ccccn2)CCN(Cc2ccc(-c3ccccc3Br)s2)CC1 554558717 OWECJVVDBLYAFU-UHFFFAOYSA-N 438.394 5.630 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)Nc2cccc(OCc3ccc(Cl)cc3)c2)CC1 554578693 MHUHZYXZBOAFGD-UHFFFAOYSA-N 446.938 5.403 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(OC(C)C)CC1 559023419 LLGFNHHZJVLLBT-HXUWFJFHSA-N 434.584 5.541 30 20 IKED CC(=O)N[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccc(C)cc1 570032101 ORNQVTZYWRGTMU-GOSISDBHSA-N 449.498 5.226 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1)[C@@H]1C[C@@H]1C 571913750 PFVMLBBMYPEUQQ-GAJHUEQPSA-N 441.556 5.723 30 20 IKED COC(C)(C)c1nc(C)c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)s1 577430424 GPTZCVFKUPAVSX-AWEZNQCLSA-N 431.970 5.600 30 20 IKED O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1ocnc1C1CC1 578912396 BWVVBYDMNUFXMG-ZDUSSCGKSA-N 446.269 5.623 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCCC[C@H]3c3nnc(C4CCC4)o3)cc2)cc1 580442388 UUUMIBVKGLVLGB-QHCPKHFHSA-N 442.519 5.563 30 20 IKED CC(C)Cn1ncc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1C(C)C 587989337 CPAMXHMAQJJEMO-UHFFFAOYSA-N 442.007 5.433 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)C3(c4cccc(Cl)c4)CCC3)s2)cc1 602095456 HXGABGMEIRCPNT-UHFFFAOYSA-N 440.981 5.416 30 20 IKED COc1cc(OC)c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OC 602289668 FQQDNSAHIKFXGC-CYBMUJFWSA-N 428.554 5.049 30 20 IKED CC(C)c1noc2nc(C3CC3)cc(C(=O)N(Cc3ccco3)c3ccccc3C#N)c12 603739287 MYMLVBKWUONKBF-UHFFFAOYSA-N 426.476 5.535 30 20 IKED CCN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@@H](C)c1cc2ccccc2o1 604362140 MGZXETDZQHBJJG-KRWDZBQOSA-N 426.476 6.107 30 20 IKED O=C(Nc1ccc(OC2CCCC2)c(F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 608331406 RGYHQKKIFDBSIY-VXGBXAGGSA-N 442.375 5.742 30 20 IKED CSc1ccc(F)cc1CNC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 608637991 DHZYKIMZHPEHIR-GHMZBOCLSA-N 432.405 5.256 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1 608882180 JNAIBMWSOMVLSO-UHFFFAOYSA-N 441.466 5.008 30 20 IKED CC(=O)Nc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 609079974 MVWFKUNFTNSRHX-UHFFFAOYSA-N 448.910 5.071 30 20 IKED COc1ccccc1Oc1ccc(NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)cc1F 609099612 ZPYBAVXVLKNQAV-OAQYLSRUSA-N 431.467 5.106 30 20 IKED Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc12 609428638 YPPLIRFJWDJQSP-MRXNPFEDSA-N 446.601 6.101 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(COc4ccccc4)CC3)cc2)c1 609434405 GCKSQVQLBPXBLG-UHFFFAOYSA-N 427.504 5.673 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 609437141 SDTSTOKDMQBJCM-QGZVFWFLSA-N 428.989 5.084 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 609439021 SJFKGTGYPOZCOE-SJORKVTESA-N 428.989 5.382 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)c1 609498818 LLWHAZRAPLVPGF-UHFFFAOYSA-N 445.441 5.113 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2C#N)cc1OCc1csc(Br)c1 610223331 OUPGYIHRGPXNOR-UHFFFAOYSA-N 427.323 5.522 30 20 IKED CN(C(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1)c1ccc(C#N)cc1 610982818 BLTREDDGSMAKHO-UHFFFAOYSA-N 447.420 5.101 30 20 IKED Cc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cs2)o1 613319436 DOJYWXSNAXXWAX-CQSZACIVSA-N 425.922 5.979 30 20 IKED Cc1ccc(-n2nnc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2C)cc1 617898159 REHCPOWUEUKGQU-OAHLLOKOSA-N 441.438 5.003 30 20 IKED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 642473322 CYTJSPTXDHIEHS-UHFFFAOYSA-N 443.425 5.771 30 20 IKED COc1ccc(NC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c(C(F)(F)F)n1 669991448 WCIGGPPVRLOSBH-GFCCVEGCSA-N 425.304 5.063 30 20 IKED Cc1nc(C(F)(F)F)ccc1NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 670060641 BHMZFUWQTLNMOG-IUCAKERBSA-N 437.306 5.440 30 20 IKED O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1C[C@H]2CC[C@H]1O2 679995294 OLJBXXJFDISDFA-LPWJVIDDSA-N 435.286 5.011 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(Cc2cccc(F)c2)CCC1 681261578 JZAGSNVVOYAZBY-ZIAGYGMSSA-N 425.388 5.564 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OC(C)C)cc2)[n+]2ccccc2CC)c1 726573230 SEXCJLDADIKACI-UHFFFAOYSA-O 443.592 5.628 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 726754248 CQTRXKCPZSGEHR-UHFFFAOYSA-N 443.510 5.288 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1csc(-c2ccccc2C)n1 727295581 PJZUZLNEJNYBJK-UHFFFAOYSA-N 443.322 5.371 30 20 IKED C[C@@H](C#N)Oc1ccc(/C=C2/CSC/C(=C/c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1 727743735 HEJXZUVVQYKXMT-FNZAMBHKSA-N 430.529 5.051 30 20 IKED CC(C)N(C(=O)Cn1cc(C#N)c(=O)c2ccccc21)c1ccc(Nc2ccccc2)cc1 727745093 KOUUAQBRJUMXMQ-UHFFFAOYSA-N 436.515 5.058 30 20 IKED Cc1ccc(-n2c(C)cc(C(=O)Cn3cc(C#N)c(=O)c4cc(Cl)ccc43)c2C)cc1 728704429 HCSIMLZZGKZQBK-UHFFFAOYSA-N 429.907 5.125 30 20 IKED COc1ccc(/C=C/C(=O)c2c[nH]c3cc(Br)ccc23)cc1OCCCC#N 729937543 VRCMVFRYNVXTRR-XBXARRHUSA-N 439.309 5.518 30 20 IKED N#C[C@H](C(=O)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1)c1nc2ccccc2o1 730399364 YMEJPVWWIVGCFA-IVZQSRNASA-N 437.282 6.131 30 20 IKED Cc1sc2ncnc(SCCC(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c2c1C 730419686 CNHYLAQTYSEFBS-ZDUSSCGKSA-N 442.566 5.416 30 20 IKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 730687820 QAZRJPDBOKHBCY-RDBSUJKOSA-N 425.674 5.237 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(OC2CCCC2)c1 731288445 VMAXFKNJCKLKEE-QHCPKHFHSA-N 440.499 5.761 30 20 IKED CC(C)N(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(Nc2ccccc2)cc1 731978761 ROYPRKPAFNADEF-UHFFFAOYSA-N 448.526 6.544 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CC[C@H](c3ccc(Cl)cc3)C2)c1=S 732187752 ZLHRLTFKSPQFKH-SFHVURJKSA-N 441.000 5.376 30 20 IKED N#CCCn1cc(C2=NN=C(Nc3ccc(SC(F)F)cc3)SC2)c2ccccc21 733806985 ORPCNZWHLLJCHX-UHFFFAOYSA-N 441.532 5.789 30 20 IKED N#Cc1ccc([C@@H](OC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)C(N)=O)cc1 734572928 GMGOUQJXQNPBNO-OAHLLOKOSA-N 439.707 5.117 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)ccc2C)[n+]2cccc(O)c2Cl)c1 735667175 PVLOFGDBIFNWNX-UHFFFAOYSA-O 435.956 5.255 30 20 IKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C(C)(C)C)cc3)NC2=O)cc1 736642522 VXHUIOPPCFRDSQ-HXUWFJFHSA-N 439.581 5.021 30 20 IKED Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739595348 HUWPNLUCBGNGJZ-UHFFFAOYSA-N 432.936 5.364 30 20 IKED Cc1nnc(-c2cccc(C#N)c2)n1CN1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 739850246 GDINWEWDNLCJOS-NRFANRHFSA-N 425.458 5.329 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc3c(c2)COC3)cc(Br)c1OC(F)F 742436005 DFPCDQAXHRDLKF-ZZXKWVIFSA-N 439.252 5.376 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1cccc(COc2ccccc2)c1 743473405 WTHNPQGKGCRTEA-FQEVSTJZSA-N 429.520 5.021 30 20 IKED N#CCc1ccc(NC(=O)COC(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)cc1 746085428 UZUDJWXVGXSDTH-UHFFFAOYSA-N 438.842 5.133 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccccc2Cl)cc1 747109536 VZBVMZBPGVTULO-SFHVURJKSA-N 434.879 5.492 30 20 IKED C=CC[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Sc1ccccc1)c1ccncc1 749724987 JWWBIBIYHPAJNC-IBGZPJMESA-N 437.952 5.258 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3C[C@@H](O)c3cccs3)cc2)c1 751006071 WWWFAFBPNAMEBD-SIKLNZKXSA-N 433.533 5.532 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@H](c2ccc(F)cc2)c2cnc3ccccc3c2)c1 753678050 FWBPCYPFJXJMQH-SHQCIBLASA-N 425.507 5.934 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H](COc3ccccc3Cl)C2)c1 754108543 ZFFVYEWWEWBFQF-VQTJNVASSA-N 441.959 5.022 30 20 IKED Cc1sc([C@H](C)NCc2cc(Cl)ccc2OCC#N)nc1-c1ccc(Cl)cc1 754949215 BDUZNLNWNFQGCT-ZDUSSCGKSA-N 432.376 6.179 30 20 IKED Cc1sc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1-c1ccc(F)cc1 756231333 LGXHDMHZCXLFCU-INIZCTEOSA-N 447.318 6.131 30 20 IKED C#CC[C@@H](NC(=O)Nc1ccc(CC(=O)N(CC)c2ccccc2)cc1)c1ccccc1 757777112 FTMDATXSMGYULY-RUZDIDTESA-N 425.532 5.168 30 20 IKED C#CC[C@H](NC(=O)Nc1ccc(N2CCC(OC)CC2)c(C(F)(F)F)c1)c1ccccc1 757883992 VYHYMFBNNIRYKP-NRFANRHFSA-N 445.485 5.207 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(C(F)(F)F)ccnc1Cl 759471263 AMPAAJIAFDPLIP-UHFFFAOYSA-N 432.789 5.374 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1 760797359 LCTBFGXYVCKYSZ-OAQYLSRUSA-N 428.822 5.279 30 20 IKED C[C@@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(N2CCOCC2)c(F)c1 764773359 GZQYKCZWPKQKQU-OJLVUWQFSA-N 442.419 5.222 30 20 IKED N#C[C@H](C(=O)C1(CCOCc2ccccc2)CC1)c1nc(-c2c(F)cccc2F)cs1 770848904 NHSKNDJNZIUEHA-QGZVFWFLSA-N 438.499 5.652 30 20 IKED C[C@@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)c2cc(F)ccc2CN1C(=O)OC(C)(C)C 777103033 QQFCZAMNTLWNQW-QGZVFWFLSA-N 449.526 5.167 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)s2)cc1 777115160 OMQKDKBKCAXBIL-KRWDZBQOSA-N 432.593 5.433 30 20 IKED Cc1cc(C(=O)O[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)nc(C(F)(F)F)n1 777704265 NJHPSHQXUHBWKV-NSHDSACASA-N 432.242 5.283 30 20 IKED COc1cc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1OC(=O)C1CC1 783594530 UQLFWMYPOQGZLS-SFHVURJKSA-N 426.516 5.400 30 20 IKED C[C@H](OC(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1)C(=O)Nc1ccccc1C#N 785875727 KIDDMKQQZIAIFC-KSFYIVLOSA-N 434.492 5.101 30 20 IKED CC[C@@H](NC(=O)[C@H](C#N)C(=O)c1cc2cc(C)cc(Br)c2o1)c1ccccc1 787034387 LADVSMCUCAXULE-SJLPKXTDSA-N 439.309 5.094 30 20 IKED Fc1cccc(OC(F)(F)F)c1C=Nn1cnnc1SCc1ccc(Cl)cc1 788979836 AQAULPZRMYHKIE-UHFFFAOYSA-N 430.814 5.144 30 20 IKED CC(=O)N(c1nc(/C=C2/CC(C)(C)c3ccccc3C2=O)cs1)c1ccc(F)cc1F 794969097 QXXHOHXJABLODN-GDNBJRDFSA-N 438.499 6.054 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(C(=O)[C@@H](C#N)c3nccc4ccccc34)ccc21 796899716 KIYKPXCSKDCZOH-NRFANRHFSA-N 427.504 5.413 30 20 IKED O=C(/C=C\c1cc(Br)c(O)c(Br)c1)c1cnn(C2CCCC2)c1 799898222 ZVFGEBBNNZJWCE-WAYWQWQTSA-N 440.135 5.125 30 20 IKED Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cs1 810824197 TXGWKNGVTSXQJF-INIZCTEOSA-N 441.597 6.166 30 20 IKED COc1ccc(-c2cc3[nH]c(/C(Cl)=C\c4cccc(F)c4C#N)nc(=O)c3s2)cc1 811687643 IHBOXFVFBVYHPT-CXUHLZMHSA-N 437.883 5.408 30 20 IKED CC(=NNc1ncnc2scc(-c3ccc(C)cc3)c12)c1cccc(N2CCOCC2)c1 812442567 FZBYHHLGFXFMKI-UHFFFAOYSA-N 443.576 5.339 30 20 IKED C[C@@H](OC(=O)c1cc2c(Cl)cccc2s1)C(=O)Nc1sc2c(c1C#N)CCC2 856300602 SSBJSWSLHGNSLI-SNVBAGLBSA-N 430.938 5.161 30 20 IKED N#Cc1ccc(Br)c(CNc2ccc(NC(=O)c3ccco3)c(Cl)c2)c1 864007198 SDIOJFADPKPSEE-UHFFFAOYSA-N 430.689 5.432 30 20 IKED Cc1oc(C#N)cc1-c1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1 904667624 CSEWMLSIWRDXBM-UHFFFAOYSA-N 446.772 6.036 30 20 IKED CC(C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 916210173 CFQLHYHNNFDTIJ-GOSISDBHSA-N 449.498 5.322 30 20 IKED Cc1cc2occ(CC(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c2cc1C 916652509 AVUCKLCQBTXABR-KRWDZBQOSA-N 431.517 5.058 30 20 IKED N#C[C@@H](C(=O)CCCOc1ccc(Cl)cc1)C(=O)Nc1ccc(SC(F)F)cc1 916886410 HASLYZGQACRBMW-KRWDZBQOSA-N 438.883 5.161 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3sc(C)nc3-c3cccs3)n2)cc1 916972288 MOUBBEYRTSGMGA-INIZCTEOSA-N 435.599 6.031 30 20 IKED N#Cc1cccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 916997062 SJUSCPLUABAUEI-INIZCTEOSA-N 428.300 5.244 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1 917041033 OARUPIVUMQZIRK-MRXNPFEDSA-N 436.487 5.591 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(C)Cc2cccc3ccccc23)c1=S 917470281 SLCPZZHGFLLHEA-UHFFFAOYSA-N 430.577 5.518 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 920101597 GBZJGSXWKRPKFP-KRWDZBQOSA-N 433.920 5.767 30 20 IKED N#CCCCOc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)c1 920738565 SQVLQBDLZFMVOG-UHFFFAOYSA-N 433.895 5.527 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(N2CCOCC2)cc1 921117759 BYOGUNRQZZMWPQ-IBGZPJMESA-N 442.519 5.070 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(-n3ccnc3)cc2)cc1Cl 921236811 PXDKHCFNHUDIKM-HSZRJFAPSA-N 441.922 5.503 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H](c3ccccc3)C(C)C)cc2)CCC1 1786184016 LYGAQWROYWCILB-HYBUGGRVSA-N 449.595 5.361 30 20 IKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cc4ccccc4o3)cc2)CCC1 1789113972 HMEDIZPFCHYMSR-KQDNUWKFSA-N 444.531 5.171 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Br)c(C)c1)C2 1792573104 FKWBWWIWNPJGAS-REPLKXPHSA-N 447.417 5.002 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)c2ccc(C)cc2)[C@H]1c1cccnc1 1812755030 FFKPCTYHUQAEAG-FTBPSBKWSA-N 447.623 5.192 30 20 IKED CCC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)CCC1 1819385099 JNFKBMSYZNTDLM-FQEVSTJZSA-N 442.680 5.033 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnc(CCCCC)s3)CC2)C1 1823702943 HEEUSAZIRIONNC-NRFANRHFSA-N 443.657 5.075 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC(F)(F)F)CC1 1823751240 NCGPZBWNRHSPIS-IBGZPJMESA-N 430.555 5.331 30 20 IKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCCC(C)(C)C)CC1 1824500486 KFPSFFADJKMXNZ-DEOSSOPVSA-N 448.692 5.586 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3ncccc3c2)CC1 1829066311 AZQPGAQFHSIHNI-VWLOTQADSA-N 447.623 5.461 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2Cl)CC1 1829893836 FMYPCXVTIWVVCC-REWPJTCUSA-N 429.004 5.342 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(Cl)c2)CC1 1832610048 UNUJPUWGFYDXCH-FQEVSTJZSA-N 438.946 5.093 30 20 IKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)c2sc3ccccc3c2Cl)C1 1843709697 NPAPBTYWCRIGPM-UHFFFAOYSA-N 428.985 5.140 30 20 IKED C=CCn1c(SCC(=O)N(Cc2ccccc2)C(C)C)nnc1-c1ccc(Cl)cc1 10240414 FTVIXDIJRONUCX-UHFFFAOYSA-N 441.000 5.314 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10756196 ILKPOBKAIFJRPQ-UHFFFAOYSA-O 427.952 5.770 30 20 IKED C=CCn1c(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)nc2ccccc2c1=O 15231062 IXDBNWKEEWHDPP-UHFFFAOYSA-N 435.593 5.560 30 20 IKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1ncnc2cc(-c3ccc(F)cc3)sc12 23874883 NHRUIQLADOGXOE-YEJXKQKISA-N 428.558 5.032 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2oc3ccc(Br)cc3c2C)cc1 45843314 ALLVRNLFXJBRPE-UHFFFAOYSA-N 428.286 5.064 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccccc2Cl)c1)c1nc(-c2ccc(Cl)cc2)cs1 64791834 DUTAIQJMGWXJMI-MRXNPFEDSA-N 439.327 5.793 30 20 IKED Cc1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1NC(=O)c1ccccc1 78718812 LTZCOEDPWBYXKL-FQEVSTJZSA-N 438.314 5.549 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 195645871 WPIDAZZQEHKITH-UHFFFAOYSA-N 432.320 5.012 30 20 IKED C=CCn1c(SCc2coc(-c3cccc(Cl)c3)n2)nnc1-c1ccccc1F 220145799 KCSJEQCFAFGYGS-UHFFFAOYSA-N 426.904 5.871 30 20 IKED N#Cc1ccccc1COc1cccc(CNCc2ccc(N3CCCCCC3)nc2)c1 237838914 GGYQZGQBEOJUKC-UHFFFAOYSA-N 426.564 5.202 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3cccs3)C[C@H]3CCCO3)cc2)c1 303292590 BJSMXQPAYOQYEA-JOCHJYFZSA-N 433.533 5.625 30 20 IKED C[C@@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1CCCC1(C#N)CCOCC1 410417526 LBFHLGWJDRJSKX-KNQAVFIVSA-N 448.010 6.430 30 20 IKED Cc1nc([C@H]2CCCOC2)sc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 428162304 RUKQLXBTZVYFLU-IBGZPJMESA-N 433.533 5.049 30 20 IKED O=C(N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)N1CC[C@H](CC(F)(F)F)C1 434180714 RRYWQJWAMXGNBM-BXKDBHETSA-N 438.290 5.173 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1)c1ccccc1 435742149 SPWSXPYNBHQJNM-JOCHJYFZSA-N 439.515 5.181 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(F)(c2cccc(Cl)c2)CC1 439518682 SMBFZLFIZFELIZ-INIZCTEOSA-N 431.964 6.227 30 20 IKED Cc1noc(C2CCC(NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)n1 440197420 CZZCGMSWTLRFKX-NGICGMGXSA-N 449.942 5.535 30 20 IKED COc1cccc(C(=O)c2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cc2)c1 444467653 QOAYLDWUEUCZPS-LJQANCHMSA-N 445.425 5.161 30 20 IKED Cn1c(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cc2cc(C(F)(F)F)ccc21 463292004 YXJDRNGWQJXDPX-UHFFFAOYSA-N 439.359 5.273 30 20 IKED COc1cccc(Cl)c1-c1noc(C)c1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 464418245 AMOMESCNXFDKPL-LBPRGKRZSA-N 435.789 5.216 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2nc(C3CCCCC3)no2)cc1C 464699770 BMJZNFDNWOZWJX-GOSISDBHSA-N 446.555 5.002 30 20 IKED C=C[C@@H](C)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 465149797 LPHSHKOSHZHLPE-CQSZACIVSA-N 447.391 5.083 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3cccs3)CC2)cc1Cl 467024022 SCYACMMFPOFQNQ-FQEVSTJZSA-N 436.968 5.411 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccsc4)C3)cc2Cl)cc1 467904769 WQUMRMOKIWCRPX-NRFANRHFSA-N 439.924 5.671 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@H]3CC=C(c4ccc(F)cc4)CC3)ccc21 470555306 HELLGYLQIQQGIA-QFIPXVFZSA-N 446.526 5.166 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccccc3COc3ccccc3)ccc21 470772886 LNZHBSOUFKSCPE-UHFFFAOYSA-N 439.515 5.101 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3c(F)cc(F)cc3-c3ccccc3)C2)n1 471357038 LXMDGDMRJDVBEB-IBGZPJMESA-N 432.474 5.062 30 20 IKED Cc1cc(Br)cc(C)c1N(CC(F)F)C(=O)c1cccc(SCC#N)c1 472014565 WPILGBCFOUYXED-UHFFFAOYSA-N 439.325 5.594 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@]2(C1)OCc1ccccc12 473672334 BQMRYHFLCYLORM-HHHXNRCGSA-N 439.515 5.109 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1 474540579 MLDMCVIJWQITKN-QFIPXVFZSA-N 431.515 5.776 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)C[C@H](CC#N)c1ccccc1 476118115 CGMAPBDLSXJQDM-IBGZPJMESA-N 426.495 5.714 30 20 IKED C=CCn1c(SCc2csc([C@H](C)OC)n2)nnc1-c1ccc(C(C)(C)C)cc1 476485207 UZPNJRHCCNDCEO-HNNXBMFYSA-N 428.627 5.885 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)NCCCCCOC2CCCCC2)CC1 477937802 GKCRXIWHNHEHPX-UHFFFAOYSA-N 427.589 5.067 30 20 IKED Cc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1NC(=O)N(C)C 478643810 GSFBPEIRBJVCPD-UHFFFAOYSA-N 444.560 5.505 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cc(-c3ccncc3)ccc2C)nnc1-c1ccco1 481518246 LFOPOOTZJAFTGE-UHFFFAOYSA-N 445.548 5.215 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2C)nnc1-c1ccco1 481865698 VNNRCGNISDZIPF-UHFFFAOYSA-N 436.459 5.172 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1nccc2ccccc12 483233097 KPGLYBBFBUHQBH-OAQYLSRUSA-N 448.457 5.945 30 20 IKED O=C(CN[C@H](c1ccc(F)cc1)C(F)(F)F)Nc1ccc(Cl)cc1C(F)(F)F 484890216 VSFJTOVUHGIMDK-OAHLLOKOSA-N 428.735 5.330 30 20 IKED CCOc1ccccc1Oc1ccc(CNc2c(C#N)cnc3c(F)cc(F)cc23)cn1 488239389 BIXWTMBWBLXRFN-UHFFFAOYSA-N 432.430 5.583 30 20 IKED CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1nnc2n1CCCCC2 489438403 GZJZSESYTOJDFD-OAQYLSRUSA-N 444.539 5.250 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC1CCC(C)(c2ccccc2)CC1 492177592 ZXZHIGRUCFTTMS-ISKPRUBYSA-N 435.593 5.036 30 20 IKED N#Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cnc1C(F)(F)F 496031522 ZDKLYKPOWLQLKA-CQSZACIVSA-N 432.814 5.239 30 20 IKED COc1ccccc1-c1csc(C2CCN(CCCC3(C#N)CCOCC3)CC2)n1 499718958 MONXDEHFCIKDHP-UHFFFAOYSA-N 425.598 5.099 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)Cc1noc(C)c1C#N 500667776 MQNRIXHXMFVVOW-UHFFFAOYSA-N 431.471 5.081 30 20 IKED CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cccc(Oc2ccnc3ccccc23)c1 503066257 NGINQZAYLFSKRE-VWLOTQADSA-N 431.492 5.227 30 20 IKED N#C[C@H](C(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1nc2cc(Cl)ccc2s1 505440355 PDCRSKQLCXCAFG-LLVKDONJSA-N 431.876 5.841 30 20 IKED COc1ccc([C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c2ccccc2OC)cc1 506684993 BEKUOXWNCZCHCT-AREMUKBSSA-N 441.531 5.039 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Cn2ccc3ccc(Cl)cc32)cc1 509262680 IHTVNZYSOVTTNW-UHFFFAOYSA-N 429.907 5.578 30 20 IKED Cc1sc(CNC(=O)CSCc2ccc(C#N)cc2)nc1-c1ccc(Cl)cc1 509689559 UQMVEEUOYVDGSH-UHFFFAOYSA-N 427.982 5.193 30 20 IKED Cc1sc(NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)c(C#N)c1C 510425011 BQNBZMCQOYCKFJ-UHFFFAOYSA-N 441.582 5.324 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC1(c2ccccc2)CCOCC1 510858936 GPJCWFSDBKGBAG-UHFFFAOYSA-N 441.531 5.529 30 20 IKED CN(C(=O)c1cccc(COc2ccccc2C#N)c1)c1cccc(OC(F)(F)F)c1 513280344 YRGREGTZXWDXLS-UHFFFAOYSA-N 426.394 5.312 30 20 IKED CC(C)N(Cc1cccc(Cl)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 514000394 XEAJGLWYMANSEF-UHFFFAOYSA-N 447.966 6.428 30 20 IKED N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCC(c2noc3cc(F)ccc23)CC1 517162382 LNGBGYKDCWPDHZ-UHFFFAOYSA-N 426.373 5.188 30 20 IKED CC(C)(C(=O)N1CCc2ccc(C#N)cc21)c1csc(-c2c(F)cccc2Cl)n1 518020191 YHBBHFPZAOEYCF-UHFFFAOYSA-N 425.916 5.341 30 20 IKED CCCc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)[nH]c(C)c1C(C)=O 518999776 JVRFKODQRPLNEX-OAQYLSRUSA-N 433.939 6.039 30 20 IKED COc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1OC(C)C 519106486 AENMNNCKHOFTPX-OAQYLSRUSA-N 434.923 6.044 30 20 IKED CCc1cc(C#N)c(NC(=O)CCc2nc(C)c(-c3ccc(Br)cc3)o2)s1 521244408 LSJKKDDXLLTWSL-UHFFFAOYSA-N 444.354 5.479 30 20 IKED COc1cc([C@H](C)Nc2nc(C(F)(F)F)ccc2C#N)ccc1OCc1ccncc1 522417758 NZIWTFYIDHQWDA-AWEZNQCLSA-N 428.414 5.128 30 20 IKED Cc1cccnc1[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C(C)C 523807641 HPNCHNHAYCULHV-DEOSSOPVSA-N 430.527 5.510 30 20 IKED CN(C)Cc1cc(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)ccc1F 523948369 UZRDMVSLFLPZPF-UHFFFAOYSA-N 437.902 5.135 30 20 IKED COc1cccc(N2CC[C@@H](NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)C2)c1 524546275 JTWCGWMYNJDGIV-HXUWFJFHSA-N 442.519 5.068 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](COCc1ccccc1)c1ccccc1 525443918 LTXUVZWGMKYNIR-SANMLTNESA-N 427.548 5.436 30 20 IKED CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c1 525540464 WRTCZPGUPLNTPH-UHFFFAOYSA-N 429.973 5.779 30 20 IKED N#Cc1cc(NC(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)ccc1OCC(F)(F)F 525734176 ZLXGCUGHXOUMJV-UHFFFAOYSA-N 449.820 5.042 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)Nc1cccc2c1CCCC2 527086636 CVSCDGSGQNXKEX-UHFFFAOYSA-N 447.482 5.167 30 20 IKED N#Cc1cccc(CC(=O)N(c2ccc(Cl)c(Cl)c2)c2nc3ccccc3s2)c1 530913945 WYKBSYKAPIUQRG-UHFFFAOYSA-N 438.339 6.382 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1Cc2ccccc2-c2ccccc2C1 532947269 QLCZLJWUSVHIKN-IBGZPJMESA-N 427.573 5.702 30 20 IKED Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)s1 534167654 YMFSWVPTZVOBLI-AWEZNQCLSA-N 425.941 5.911 30 20 IKED Cc1ccc(-c2nnco2)cc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 534903683 YZDGQAKYECIGCB-UHFFFAOYSA-N 430.851 5.615 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cnn([C@H](C)CC)c1C1CC1 536516321 WYOMIEGMJCKMJF-CQSZACIVSA-N 449.368 5.853 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1 536889892 MQFTUWSOXIBMOM-UHFFFAOYSA-N 433.467 5.199 30 20 IKED Cc1cc(Br)cc(Cl)c1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 540878623 MDQYRVCBPXLORM-UHFFFAOYSA-N 446.757 5.582 30 20 IKED Cc1cc(NC(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)nn1C 543043148 XNRUQMRTKZLEIV-LBPRGKRZSA-N 448.289 5.191 30 20 IKED COc1ccc(-c2ocnc2C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 554772087 IOUWVYWNRANXGA-KRWDZBQOSA-N 435.892 5.617 30 20 IKED Cc1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)s1 555882051 LXTLUUNRTALCCJ-UHFFFAOYSA-N 441.578 5.048 30 20 IKED CN(Cc1ccccc1NC(=O)NCC(C)(C)CCC#N)C(=O)c1cc2ccccc2o1 558377376 PXCVTHDBIIZTJD-UHFFFAOYSA-N 432.524 5.156 30 20 IKED COc1cccc(COc2cccc(Cl)c2CN2CCC(C#N)(c3ccccn3)CC2)c1 558621056 LCDSVSPGWYRSQH-UHFFFAOYSA-N 447.966 5.380 30 20 IKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 564073244 NEAXBKUQIMXZFJ-UHFFFAOYSA-N 430.483 5.566 30 20 IKED Cc1csc(NC(=O)CCc2nc(C)c(-c3ccc(Br)cc3)o2)c1C#N 573404981 OPHXFJQOCPOKIC-UHFFFAOYSA-N 430.327 5.225 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)c(F)c1 584253249 POWVFMSCKHFZFD-UHFFFAOYSA-N 425.813 5.225 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c2n[nH]cc2c1 588349152 ZQRQCKMOEDIYSA-OAHLLOKOSA-N 427.316 5.792 30 20 IKED COc1ccccc1-c1nc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cs1 589471105 LFYUUBNPYWIFHR-UHFFFAOYSA-N 428.473 5.130 30 20 IKED N#Cc1c(NC(=O)CCSc2nnc(-c3ccc4ccccc4c3)o2)sc2c1CCC2 603726478 LUKISEWYILMYOQ-UHFFFAOYSA-N 446.557 5.433 30 20 IKED Cc1ccc(-n2ncc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c2C(C)C)cc1 603764365 MXBPNEMUIVNCMV-UHFFFAOYSA-N 437.503 5.615 30 20 IKED N#Cc1ccc(CNC(=O)N(Cc2ccc(-c3ccccc3C(F)(F)F)o2)C2CC2)cc1 604361605 NUYUPXOQINYRSM-UHFFFAOYSA-N 439.437 5.711 30 20 IKED O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604789576 YOFLSTXSMRAPCC-SLVJWFQDSA-N 430.339 5.029 30 20 IKED C[C@H](CC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 606182615 VWFCKXVVPICIQL-HONMWMINSA-N 435.330 5.788 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 606841222 RYYCEFUIPSBHGL-XMSQKQJNSA-N 433.470 5.510 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(Oc4ccc(F)cc4F)CC3)c2)cc1 609209899 TYYBDRHGHJOWTR-UHFFFAOYSA-N 449.457 5.704 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F 609402919 IIICLJKPRLQDFJ-KBPBESRZSA-N 429.496 5.566 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 609436759 FBAQAAHTOQXDHP-XLIONFOSSA-N 427.545 5.433 30 20 IKED CC(C)C[C@@H](C)Oc1cc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)ccn1 609555641 YIASEMPQYBAVJY-ZWKOTPCHSA-N 426.586 5.468 30 20 IKED Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(Oc4ccccc4C#N)cc3)cc2)co1 609761023 UIHGNFITYFZWPF-UHFFFAOYSA-N 431.473 5.115 30 20 IKED C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 609957346 GJARIDLLZHJANO-KRWDZBQOSA-N 447.922 5.032 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC1CCN(c2ccc(C#N)cn2)CC1 610809738 SIKFHFQUTWNMIW-HNNXBMFYSA-N 438.000 5.358 30 20 IKED CC1=NN(c2ccc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2)CC1 613403926 IFJULYKRKZLHTB-INIZCTEOSA-N 428.439 5.391 30 20 IKED COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCc1ccc(C#N)c(Cl)c1 619780920 KLYQSFVXSABAFO-UHFFFAOYSA-N 442.906 5.003 30 20 IKED COc1ccc(-c2nnc(S[C@H](C#N)c3ccc(Cl)cc3)n2Cc2ccco2)cc1 619863926 WDYIKMQUJMBTDE-HXUWFJFHSA-N 436.924 5.605 30 20 IKED C=CCn1c(SCc2ccc(OC(F)(F)F)cc2)nnc1[C@@H]1COc2ccccc2O1 641859601 UJSDRCZVPGYPKW-SFHVURJKSA-N 449.454 5.168 30 20 IKED C[C@H](CC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C(=O)c1cccc(F)c1 673637888 JHFKKJQMJQWEDC-WXHSDQCUSA-N 427.360 5.060 30 20 IKED N#C[C@H](C(=O)c1ccccc1C(=O)c1ccc(F)c(F)c1)c1nc2cc(F)ccc2s1 679980915 ZTUJXTBEPLZWCP-MRXNPFEDSA-N 436.414 5.435 30 20 IKED N#Cc1cnc2ccccc2c1OCCOC(=O)c1csc(-c2ccc(Cl)cc2)n1 726366190 RTRPQQOIFBYJBH-UHFFFAOYSA-N 435.892 5.119 30 20 IKED COCCN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@H](C)c1cccc(C(F)(F)F)c1 726484037 AXYPKTALPRDXOX-CYBMUJFWSA-N 441.906 5.637 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(F)ccc2F)[n+]2ccc3c(c2)CCCC3)c1 726573024 WFPFJUWDIMDQKR-UHFFFAOYSA-O 447.530 5.436 30 20 IKED COc1ccccc1N1C(=O)/C(=C\c2cccc(OCCCC#N)c2)c2ccccc2C1=O 726743228 ABTLFWLKCBJKES-NKFKGCMQSA-N 438.483 5.105 30 20 IKED N#Cc1ccc(-c2ccc(OCc3nnc(-c4ccc(Br)s4)o3)cc2)cc1 727391447 UNUKAQIAESDAMI-UHFFFAOYSA-N 438.306 5.678 30 20 IKED Cc1nc(CC(C)C)sc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 727954122 WNVOVRPSZSBGQG-SFHVURJKSA-N 433.533 5.404 30 20 IKED CCCCC[C@@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1 728007327 AVNOLQVQGUSRMO-OAQYLSRUSA-N 446.551 5.460 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)cc1 729789562 HMAJODJZMJWGGK-RPBOFIJWSA-N 441.506 5.077 30 20 IKED C#Cc1cccc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)c1 730964363 YOISYYJILBPYGW-UHFFFAOYSA-N 440.759 5.111 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 731399913 IKGMJJDFNBIOKK-KZNAEPCWSA-N 446.617 5.238 30 20 IKED C#CCN(C(=S)Nc1ccc2c(c1)CCC2)[C@H]1CCOc2ccc(Br)cc21 733085829 FYMLOWANFCIIIS-FQEVSTJZSA-N 441.394 5.094 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2sc3cccc(Cl)c3c2Cl)ccc1OC 733228100 HGOPXVITUJTAFO-CYBMUJFWSA-N 449.359 5.828 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2oc3c(ccc4ccccc43)c2C)ccc1OC 733229839 HNNINWZJJKNCPM-IBGZPJMESA-N 428.488 5.514 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1 733775507 XWIMYMMXKJLVLP-SNVBAGLBSA-N 433.122 5.306 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCSc3ccc4c(c3)OCCO4)n2)cc1 739156908 RSFSJQIFWWYTKW-SFHVURJKSA-N 436.558 5.248 30 20 IKED Cc1cc(COc2ccc(/C=C/C(=O)c3cccc(-c4ccncc4)c3)cc2)oc1C(=O)O 741474169 VKUDVEXCJHORNM-JXMROGBWSA-N 439.467 5.823 30 20 IKED O=C(O)COc1ccc(/C=C\C(=O)c2cccc(Cl)c2Cl)cc1Br 742434214 FUAXAHNSEXJTGZ-XQRVVYSFSA-N 430.081 5.115 30 20 IKED Cn1ccnc1C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 743092861 FPGPDELJCVAJJH-LOSJGSFVSA-N 435.531 5.181 30 20 IKED C[C@@H](Oc1cccc(Br)c1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 744034526 AJGMXGNBLXAQCJ-QMTHXVAHSA-N 435.730 5.356 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)[C@@H](C)c1ccccc1C(F)(F)F 745308674 OUVUGLAHWNSZHI-LSDHHAIUSA-N 425.472 5.017 30 20 IKED CC[C@@H](Oc1ccccc1Cl)C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 749028129 HWASBYFUBUYNLR-VQIMIIECSA-N 426.925 5.506 30 20 IKED COc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2cnc(-c4ccncc4)s2)CC3)cc1 753143780 IGHKLOAGTOLCCN-FOWTUZBSSA-N 431.542 5.550 30 20 IKED COc1ccc(C(=O)/C=C/c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1NC(C)=O 753899991 CXXUYLOTFSYHMK-SOFGYWHQSA-N 447.343 5.980 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(c3ccccn3)CC2)c1=S 753973236 UPLWSBRWZURYGL-UHFFFAOYSA-N 425.989 5.153 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1cc(Cl)sc1Cl)c1nc2cc(F)ccc2s1 756274768 JMJIWAZYBMCJIB-JTQLQIEISA-N 427.309 5.643 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1F 758620779 RAGGFRKWBAEYML-UYAOXDASSA-N 435.455 5.203 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1 760797827 ZAANHOIHUYYRNR-OAQYLSRUSA-N 428.435 5.478 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)Nc2ccc(F)cc2OCC#N)cc1 761663400 IXOIKMKOLZLJGP-QGZVFWFLSA-N 433.483 5.629 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)cc1Cl 762944034 ODOGRTHAPLIEFY-CWJKEVGVSA-N 444.025 5.497 30 20 IKED CC1(C)CCCN(Cn2nc(-c3ccc(Cl)c(Cl)c3)c3ccccc3c2=O)[C@@H]1C#N 766114058 NMXGXKDAPCVPRE-HXUWFJFHSA-N 441.362 5.342 30 20 IKED C=CCc1ccc(OCC(=O)N(c2ccc(N(C)C)cc2)[C@H](C)c2ccccn2)c(OC)c1 766582207 CFWOQSSNEQTBDC-HXUWFJFHSA-N 445.563 5.058 30 20 IKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccnc(Cl)c1F 766784176 WQFWGCHPDNXCLH-UHFFFAOYSA-N 446.706 5.009 30 20 IKED CC[C@@H](c1ccccc1)N1CC(=O)N(c2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1=O 771819594 QFUCTOBKDLMZFN-UPVQGACJSA-N 443.934 5.915 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 777299647 GEMSBPDALZHRFX-UONOGXRCSA-N 447.507 5.054 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1O[C@H](C)C#N 780153927 MTCHNBPABUJGQE-CABCVRRESA-N 441.940 5.546 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)[C@@H](O)c1ccc(C#N)cc1 780956424 WZNMHYOPZVZBAV-DEOSSOPVSA-N 442.494 5.276 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 781449209 XVGPJYJCUSYGFG-HNNXBMFYSA-N 448.784 5.460 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 789183269 PCDZFEROZFJTPE-IIBYNOLFSA-N 433.487 5.266 30 20 IKED C=C(Cl)COc1ccc([C@H](C)NCc2cccc(-c3nc(C(=O)OC)cs3)c2)cc1 790711853 VRRXCIPDWDQKDQ-INIZCTEOSA-N 442.968 5.579 30 20 IKED CNC(=O)C[C@H]1SC(=Nc2ccsc2)N([C@@H](c2ccc(Cl)cc2)C2CCC2)C1=O 790744779 AHKBIWNJWFTBFX-IEBWSBKVSA-N 448.013 5.011 30 20 IKED COc1cc(/C=C\C(=O)c2ccnc(O)c2)ccc1OCc1ccc(Cl)cc1Cl 791432600 NKPHZJBIZRLKLB-KXFIGUGUSA-N 430.287 5.578 30 20 IKED O=C(Nc1ccc(F)nc1F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 791744674 YXMAHYSSLNFEQP-IVQOPVQDSA-N 442.350 5.421 30 20 IKED C[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 795980935 AHFAARLCSVCKFI-JSGCOSHPSA-N 439.726 5.605 30 20 IKED C[C@@H](NC(=O)[C@H](C#N)C(=O)CCc1cnc2ccccc2c1)c1ccc(Cl)cc1Cl 796891898 IJDFYKHQYDLXBV-AUUYWEPGSA-N 440.330 5.060 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1 797649887 XPICWNOSFYGBFV-UHFFFAOYSA-N 427.589 5.617 30 20 IKED CC(C)(C)OC(=O)N1CCC(=CC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)CC1 815347671 HAZPQCKUPZGMTH-UHFFFAOYSA-N 447.535 5.033 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(-c2nc([C@@H]3CCC(=O)N(CC4CCC4)C3)no2)cc1 856555968 UKYKTFTWHIWRQP-OAQYLSRUSA-N 442.519 5.215 30 20 IKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl 914964056 ROSVRQBEQGCHHS-YPMLDQLKSA-N 446.878 5.173 30 20 IKED Cc1ccc(C(=O)N[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)C(C)C)cc1 915102363 XZMJFWIZVPYKQT-IFMALSPDSA-N 431.561 5.058 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1 915175265 TUFLWEPHOHCUCF-UHFFFAOYSA-N 430.464 5.345 30 20 IKED COc1ccc([C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2ccccc2)cc1 915353042 PXSWMCFXTFSZEJ-VSGBNLITSA-N 447.538 6.262 30 20 IKED CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915353941 ZVLCXEWFWYRJMK-MHZLTWQESA-N 438.575 5.996 30 20 IKED N#C[C@@H](C(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1cccc2ccccc12 916917600 HUHMVDVJICIABP-AWEZNQCLSA-N 447.705 5.526 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(OCc3cscn3)c2)cc1 916954485 IHRJGJUKIWVRRV-ZHRRBRCNSA-N 433.533 5.197 30 20 IKED CCOc1cc2c(cc1/C=C\C(=O)[C@H](C#N)c1nc(-c3ccc(C)cc3)cs1)O[C@H](C)C2 916974986 TXYHTPGXTDQNBP-MMMRWVEPSA-N 444.556 5.730 30 20 IKED COc1cccc(CO[C@@H](C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 917043351 KCXXWWFNAJTOBK-LRDDRELGSA-N 434.439 5.105 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2Cl)o1)c1nc2cc(Cl)ccc2s1 917044113 PZZIYNRHXJOXJX-AWEZNQCLSA-N 442.327 6.067 30 20 IKED CCc1cccc[n+]1/C(C(=S)Nc1ccccc1C#N)=C(/O)c1cc(C)c(C)cc1C 917612779 HWVYRBZQOVDTSJ-UHFFFAOYSA-O 428.581 5.657 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccnc(OCc3ccccc3)c2)cc1 920111075 ISGSQKRAYPWFJA-MBSDFSHPSA-N 427.504 5.135 30 20 IKED CC(=O)N1CCc2cc(C(=O)[C@H](C)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)ccc21 920424685 HHLGWVBITWHMCL-SFHVURJKSA-N 439.515 5.251 30 20 IKED COc1cc(/C=C2\Cc3cc(C)ccc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 921263853 JRZJHSUATKPFGJ-XDHOZWIPSA-N 447.918 5.497 30 20 IKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4ccccc34)CCC2)cc1 1786372031 SZBKSQBAZBTSDZ-LJQANCHMSA-N 428.532 5.179 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C(=C)Oc3ccccc3O)CCC2)cc1 1789453801 GFMCUIBHQYMHPK-JOCHJYFZSA-N 446.547 5.187 30 20 IKED COc1ccc(Cl)cc1C(=O)Nc1ccc(C2(NC(=O)[C@H](S)C(C)C)CCC2)cc1 1790341829 TXIZIMLNBIPMRB-HXUWFJFHSA-N 447.000 5.051 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5ccoc5c4)cc3)CCC2)c1 1790892670 MUFUSYUFCWSPHH-UHFFFAOYSA-N 435.483 5.366 30 20 IKED C[C@]1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)CC=CCC1 1791992843 WADPBDPAXBCGOL-SANMLTNESA-N 427.548 5.247 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccsc4)CCC3)cc2)c1 1792124072 ZZSGPQAXCWCNKT-GOSISDBHSA-N 443.572 5.366 30 20 IKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(CCC)cc2)[C@H]1c1cccnc1 1803085739 CDGAGKIMVPRFCZ-UIOOFZCWSA-N 445.607 5.122 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c(C)c1Cl 1803534477 JECMORHFZREHJO-MHORFTMASA-N 435.395 5.322 30 20 IKED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3c[nH]c(-c4ccc(C)cc4)c3)C2)CC1 1807426591 XCONJAYRXLOPFN-NRFANRHFSA-N 433.596 5.047 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)CC1 1810120607 QVRDFFFYPYTTRL-QHCPKHFHSA-N 447.623 5.100 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(F)c2)[nH]n1 1819309050 KXDHEWNJRNSLLS-OXJNMPFZSA-N 444.938 5.277 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4ccc(C)cc4s3)n[nH]2)C1 1821524280 AONSKBTUFRUSMP-IBGZPJMESA-N 434.565 5.205 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)Cc2ccccc2)n[nH]1 1822587417 FDZWKBHUZSJIPS-WPYKKVEZSA-N 434.584 5.049 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(OC)cc1)[n+]1ccc2c(c1)CCCC2 15247517 DHGCIDKVTBWEFR-UHFFFAOYSA-O 445.608 5.475 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)nc2cc(Cl)ccc2c1=O 17674070 XSSUPKBUQKFAFT-AWEZNQCLSA-N 438.940 5.448 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccoc1C 21134380 XNDUSRTUYJIRMC-GFCCVEGCSA-N 437.352 5.459 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)s1)=C(/S)Nc1cccc(C(F)(F)F)c1 22693624 QWLZJJFBHPMAOI-UHFFFAOYSA-O 449.543 5.976 30 20 IKED COc1ccccc1-c1nnc(SCc2cccc(C#N)c2)n1CCc1ccccc1 24966370 OQSMVTRPSSSGCV-UHFFFAOYSA-N 426.545 5.360 30 20 IKED O=c1ccc(/C(O)=N/c2nnc(C3CCCCC3)s2)cn1Cc1ccccc1Cl 29089868 AGIDOLNMAVPFLB-UHFFFAOYSA-N 428.945 5.086 30 20 IKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)cc12 60477132 RVLWADZRDNMZFG-MRXNPFEDSA-N 445.935 5.474 30 20 IKED C=CCOc1ccc(CNCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)cc1OC 63566658 DYYYVTXFOXTUTM-UHFFFAOYSA-N 445.485 5.371 30 20 IKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2cc(Cl)ccc2Cl)[n+]2ccccc2)c1 71793494 HRJOONPMJZOCRJ-UHFFFAOYSA-O 430.380 5.949 30 20 IKED COc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 71794442 SBVPMNOJSSDYFI-QGZVFWFLSA-N 426.925 5.290 30 20 IKED C[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1cccc(Cl)c1Cl 108419081 SNJBHAIMSMKZQO-HNNXBMFYSA-N 440.330 5.883 30 20 IKED Cc1noc2nc(C(C)C)cc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c12 195640051 IMPXPUWSJBAYHG-UHFFFAOYSA-N 440.503 5.552 30 20 IKED C[C@H](Sc1nnc(C[C@H](C)c2ccccc2)o1)C(=O)Nc1ccc(C#N)c(Cl)c1 302773595 GOAHOSRFZJQSKA-KBPBESRZSA-N 426.929 5.060 30 20 IKED CCCN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)[C@@H](C)C(=O)Nc1ccccc1 303649642 TUZGHWPISRXIAM-FQEVSTJZSA-N 441.531 5.017 30 20 IKED C=C[C@H]1CCCCN1Cc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 426558344 ILMPGQWPSIIOOA-SFHVURJKSA-N 448.485 5.272 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 429882459 YQTSYQHZRAPRGN-UHFFFAOYSA-N 438.237 5.274 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2c(-c3cccc(Cl)c3Cl)noc2C)cc1 435404272 ZIBSRBCMXBOCHF-UHFFFAOYSA-N 445.306 5.517 30 20 IKED CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 438077319 TXSKJJJOFHJADI-UHFFFAOYSA-N 432.527 5.597 30 20 IKED C[C@H](Nc1ccc(Oc2ccc(Cl)cn2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 439637831 GWRLXAZEPBPCTQ-ZDUSSCGKSA-N 427.291 5.491 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C(=O)NCC(C)(C)C)cc3)n2)cc1 442672021 HRROPVLEAZCGCZ-HXUWFJFHSA-N 431.561 5.385 30 20 IKED COc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc(Cl)c1O 442870379 JZLJIGBVKRTSNQ-QGZVFWFLSA-N 427.287 5.615 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cc(F)c(F)c(O)c1F 444430808 JSANGOQRURZTQN-LLVKDONJSA-N 431.254 5.252 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cn(CCCC#N)c4ccccc34)n2)cc1 447520470 KLPDRWLTHHLABT-FQEVSTJZSA-N 440.528 5.567 30 20 IKED C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]1c1ccsc1 460375940 NIODXMOXUMOLAB-SFHVURJKSA-N 426.611 5.558 30 20 IKED N#CCCN(CC1CC1)c1nnc(-c2ccc(Br)s2)n1Cc1cccs1 461505324 DWHWFJIFFIMHRD-UHFFFAOYSA-N 448.415 5.009 30 20 IKED N#Cc1cc(NC(=O)c2ccc(-n3cncn3)cc2)ccc1Oc1ccc(C(F)(F)F)cc1 464295169 MERSSZGQBAPVFA-UHFFFAOYSA-N 449.392 5.202 30 20 IKED CC(C)(C)c1nnc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)s1 467904547 TWGPWPXHUZMVJB-UHFFFAOYSA-N 441.944 5.475 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@@H]3CCc4cc(Br)ccc4C3)ccc21 469154165 XNIRLQUBWBGKJQ-HXUWFJFHSA-N 438.369 5.001 30 20 IKED Cc1cnn(Cc2ccccc2F)c1NC(=O)c1cccc(COc2ccccc2C#N)c1 470191233 UMZVQQJLNIZJHP-UHFFFAOYSA-N 440.478 5.082 30 20 IKED Cc1ccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(-c2nc(C3CC3)no2)c1 472838429 VIYINBFMSVYLHV-RBBKRZOGSA-N 427.508 5.226 30 20 IKED N#C[C@H](C(=O)c1ccc2nc(C(F)(F)F)cn2c1)c1nc(-c2c(F)cccc2F)cs1 473531629 ZZIRBBNPTULHCL-LLVKDONJSA-N 448.376 5.245 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC=C(c3c(F)cccc3F)CC2)cc1 473678606 SDSMMRLRYOITNC-UHFFFAOYSA-N 437.490 5.100 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 476700288 VNPAOHDBSRCDAS-AVRDEDQJSA-N 449.913 5.041 30 20 IKED N#Cc1ccc(Oc2ccc(OCc3nnc(-c4ccc(Br)o4)o3)cc2)cc1 480326025 AQYBKLYQRCDTQV-UHFFFAOYSA-N 438.237 5.335 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(Sc2ncccn2)cc1C 480603423 SALDSQKECARGIA-UHFFFAOYSA-N 430.986 5.871 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnnn1-c1c(Cl)cccc1Cl 483479558 VGTLFNQEPSSFCF-LBPRGKRZSA-N 432.336 5.078 30 20 IKED N#Cc1ccc(SCC(=O)N(Cc2ccc(F)cc2)c2nc3ccccc3s2)cc1 483670871 SAEMKIRYNKBSIH-UHFFFAOYSA-N 433.533 5.633 30 20 IKED COc1cc(CN[C@H](C)c2ccc3ncsc3c2)ccc1OCc1cccc(C#N)c1 485851953 WACFYGDGAYGMOX-QGZVFWFLSA-N 429.545 5.606 30 20 IKED Cc1cc(Br)cc(Cl)c1NC(=O)CSc1nc(C)c(C)c(C)c1C#N 488558726 XRMMXQBGZUIGIM-UHFFFAOYSA-N 438.778 5.334 30 20 IKED C[C@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 495471130 SJNNQKALCVITQK-HNNXBMFYSA-N 428.517 5.212 30 20 IKED CSc1ccc([C@H](C)NCCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 500247029 MOBWZHFTJQKEFP-KRWDZBQOSA-N 436.581 5.019 30 20 IKED COc1cc(C#N)ccc1CN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C 501211575 XDWAHWLOWHOYKP-UHFFFAOYSA-N 439.865 5.088 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(NC(C)=O)ccc1C 502676008 BTIBTWDGBTWVHI-UHFFFAOYSA-N 434.309 5.075 30 20 IKED COCCOc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 503189865 AXKNGIPBZCEXPU-QHCPKHFHSA-N 449.938 5.342 30 20 IKED COCCn1c(C)c(C)c2cc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)ccc21 503555661 KCXMSVIBSCVQHQ-NRFANRHFSA-N 429.545 5.518 30 20 IKED CC1(C#N)CCN(C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 506042529 UZUJSWRZLBFCKQ-OAQYLSRUSA-N 433.379 5.086 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 510122689 AINBIGOBKOAMJC-GUYCJALGSA-N 425.451 5.893 30 20 IKED Cc1cc(C)c(NC(=O)CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c(C)c1 510393859 IQTDRZZSZWLIOC-UHFFFAOYSA-N 428.492 5.036 30 20 IKED COc1cc(C)c([C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC 510675502 QRDKRDFPDAOWTP-QGZVFWFLSA-N 431.492 5.559 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CC)Cc2ccc3ccccc3c2)cc1 511014507 PWXQGRDNXIFPDU-UHFFFAOYSA-N 427.548 5.708 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(-c4ccccc4Cl)on3)n2)cc1 512505200 XPWYBDORRLDOBB-INIZCTEOSA-N 430.876 5.480 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1 513778804 TWBOAMJIRQMWIK-CQSZACIVSA-N 435.376 6.379 30 20 IKED C[C@H]1CN(Cc2ccc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)cc2)C[C@H](C)O1 515689234 MOPRHNQXIOJVQM-ROUUACIJSA-N 431.561 5.148 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccc(OCC(F)(F)F)cc1 516493620 GDMDLKDSCNLKCX-UHFFFAOYSA-N 442.462 5.581 30 20 IKED Cc1ccc([C@@H](CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)N2CCCC2)o1 517903491 OVDUPHPFQYTSIK-HSZRJFAPSA-N 430.508 5.211 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 518374452 JWOZKRWPZDZYHW-UHFFFAOYSA-N 436.515 5.278 30 20 IKED CC(C)(C)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1[N+](=O)[O-] 518515454 KIEWVEOSOIZKJW-QGZVFWFLSA-N 430.489 5.378 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(Cc4ccccc4Cl)c3)n2)cc1 518516737 VMQMLKZZNHPIFL-LJQANCHMSA-N 443.919 5.070 30 20 IKED CC[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccc(C)cc1 518670456 ADMIVUMXUSMMPL-QGZVFWFLSA-N 449.498 5.226 30 20 IKED CC(C)NC(=O)Nc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 518795247 KMRRXTGVKNJAGD-UHFFFAOYSA-N 444.560 5.633 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(Br)cc2ccccc12 519426040 FDPRHVRDFLSWFA-AWEZNQCLSA-N 425.351 6.106 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(COCc2ccco2)c1 520939258 OTUAOOZMMGSNPA-SFHVURJKSA-N 435.549 5.712 30 20 IKED COc1cc([C@H](C)Nc2ccc(C#N)c(C(F)(F)F)c2)ccc1OCc1ccncc1 520988899 MOTBTZIXKNXPFK-HNNXBMFYSA-N 427.426 5.733 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1 521666562 UJZHQAQAFPUVGB-XMMPIXPASA-N 434.971 5.100 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCCOc1ccc2ccccc2c1 521731455 XVTZTYYPJLFOGE-GOSISDBHSA-N 436.602 5.985 30 20 IKED Cc1ccc(C[C@H](NCc2cccc(OCc3ccccc3C#N)c2)c2ccccn2)cc1 523734442 SZGXPPILEIXSLF-LJAQVGFWSA-N 433.555 5.914 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc4ccccc4n3)cc2F)c1 524497271 PVNOUPFRGIOABT-UHFFFAOYSA-N 426.451 5.146 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccc(O)cc3)Cc3ccco3)cc2)cc1 524659126 RAKMOHCEEDFXLQ-UHFFFAOYSA-N 439.471 5.883 30 20 IKED Cc1ncsc1-c1nc2ccccc2n1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 525284186 JSCDYVZQRFZDGF-CYBMUJFWSA-N 447.589 5.165 30 20 IKED CCC(CC)(NC(=O)C1CCN(c2oc(C)nc2C#N)CC1)c1ccc(Cl)c(Cl)c1 527243930 ZZQHITMFHWKKNK-UHFFFAOYSA-N 449.382 5.210 30 20 IKED O=C(c1ccccc1F)N1CCC(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 532501916 NEIJQBZLUORDBX-UHFFFAOYSA-N 448.382 5.258 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cccc(CN2CCCCC2=O)c1 537599346 UCWJZUCOTRQFMP-UHFFFAOYSA-N 425.488 5.115 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1 537929061 QTIITVPRGVOJGD-OFVILXPXSA-N 427.504 5.558 30 20 IKED CC(=O)c1cc(F)c(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)c1 539642751 YZQWSZWGBSBIET-UHFFFAOYSA-N 441.274 5.223 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 541035956 JOGJQHGJJQRROJ-FXAWDEMLSA-N 440.330 5.869 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Oc2nncc3ccccc23)cc1 541243058 VSHIUSNEJOWEJN-DEOSSOPVSA-N 438.487 5.336 30 20 IKED N#Cc1ccccc1Oc1ccc(-c2nc([C@@H]3CC(=O)N(CC4CCC4)C3)no2)cc1Cl 545854804 UEPTWFQHWXVISJ-GOSISDBHSA-N 448.910 5.170 30 20 IKED C=CCn1c(-c2cccc3cccnc23)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 558452049 HIYXSTKOBMRLDD-GOSISDBHSA-N 427.474 5.238 30 20 IKED C=CCn1c(-c2ccccc2Br)nnc1N1CCC(CC(F)(F)F)CC1 558456549 XQGSEIFSRZMKLO-UHFFFAOYSA-N 429.284 5.062 30 20 IKED O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)C1(CCF)CC1 558559920 ZKNBKCXVZFDVDI-NSHDSACASA-N 425.266 5.584 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCc1nc2ccccc2n1-c1ccccc1 561237523 GQZOEZLLSRLBCC-UHFFFAOYSA-N 441.579 5.340 30 20 IKED CCCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 561839499 CCFIILLHCYSGHK-RUZDIDTESA-N 427.523 5.726 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NCCc3c[nH]c4ccc(Cl)cc34)cc2)ccn1 575222033 MEVUFDSJGDRWBF-UHFFFAOYSA-N 431.883 5.244 30 20 IKED CCN(CC)CCCC1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 576153520 YMQVLAZXGUEJCH-UHFFFAOYSA-N 435.572 5.111 30 20 IKED CCc1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cnn1-c1ccc(F)cc1 603639828 MIFZHTSGICEWOW-UHFFFAOYSA-N 440.478 5.277 30 20 IKED COc1cc(CN(C)C(=O)Nc2ccc(C#N)c(Cl)c2)ccc1OCc1ccccc1 603647257 AMLPIQINABNRSH-UHFFFAOYSA-N 435.911 5.463 30 20 IKED C[S@@](=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 603838332 GPAGXSXNGZUQCP-YVORESIASA-N 435.357 5.344 30 20 IKED CCC(CC)[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1cccs1 604226512 IUINGXFMQYEIOH-JOCHJYFZSA-N 448.548 5.039 30 20 IKED COCCCCN(Cc1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604406615 BJDPQTIBNWYBQX-UHFFFAOYSA-N 430.508 5.206 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cnc(-c4ccccn4)s3)cc2F)c1 609104206 FYQWRGNLRJBTLG-UHFFFAOYSA-N 430.464 5.047 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCn2cnc3ccccc32)cc1Cl 609164250 JNUFMKIOTDHTAK-NRFANRHFSA-N 428.923 5.764 30 20 IKED N#CCn1c(C(=O)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)cc2ccccc21 609165810 VXIRJFNXJIZJMU-UHFFFAOYSA-N 437.286 5.911 30 20 IKED N#CCN1CCC(Nc2nc(-c3ccsc3)nc3scc(-c4ccccc4)c23)CC1 609334071 DSMGGORFZCRQQF-UHFFFAOYSA-N 431.590 5.487 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nc2ccccc2n1C(F)F 609434221 GKNJOZWNJTZITL-OAHLLOKOSA-N 447.445 5.978 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)cc2)cc1 609498678 WYLNSPJIKRPJDA-UHFFFAOYSA-N 434.417 5.345 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)c1 609503847 YUHSHQKAIMUPTH-QFIPXVFZSA-N 430.470 5.880 30 20 IKED COc1ccc([C@@H]2CCN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)C2)cc1 609724294 HPWHYFIWUKMVOA-LJQANCHMSA-N 432.907 5.642 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)c1sccc1C#N 610051298 FNTYWSRQYVWVAV-SNVBAGLBSA-N 432.368 5.305 30 20 IKED Cc1ccccc1[C@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCO1 610321625 NKYPWTMCFLUNQT-AREMUKBSSA-N 441.531 5.246 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 610639841 IDZCIFWHMSLEGH-AHCXZYCDSA-N 447.423 5.377 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)N1CCC[C@@](C)(C#N)C1 612302305 PLRGJFOVWPJDRE-QFIPXVFZSA-N 444.457 5.424 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccccc2Cl)on1)c1nc(-c2ccc(Cl)cc2)cs1 613319704 JTWSCURKUDARDT-HNNXBMFYSA-N 440.311 6.262 30 20 IKED COc1ccc(CN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C2CCCCC2)cc1OC 618851161 LEQYKBWAVFOCBI-HSZRJFAPSA-N 433.552 5.107 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 622925292 JLADIFFLZJICPR-UKILVPOCSA-N 447.579 5.132 30 20 IKED N#C[C@H](C(=O)c1ccccc1CCC(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 677559233 GCXJZTSQQDMAIK-CQSZACIVSA-N 442.384 6.300 30 20 IKED C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 679502117 XZASHUVYFUXEHW-TVYUQYBPSA-N 436.318 5.019 30 20 IKED CC1(NC(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)CCC(F)(F)CC1 680223424 OGCCISAAWGMVPB-UHFFFAOYSA-N 426.336 5.307 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(C)nc2cc(Br)ccc12 726754532 LWUWMUMQLXIWHC-UHFFFAOYSA-N 445.320 5.055 30 20 IKED Cn1c(CSc2nc3ccccc3s2)nn(CN(CCC#N)CC(C)(C)C)c1=S 729469427 AGEVNCXCXPFVJZ-UHFFFAOYSA-N 446.671 5.072 30 20 IKED Cc1cc(C=NNc2cnnc(O)c2Cl)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 730568202 PSKNRGXXAHNPJN-UHFFFAOYSA-N 444.244 5.361 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@H](C)Sc1ccccc1Cl 731074501 OGRASJQENAXHEE-GJZGRUSLSA-N 448.997 5.254 30 20 IKED Cc1ccc(C)c(SCC(Cc2ccccc2F)=NNc2cnnc(O)c2Cl)c1 731151936 SJUVKQCPPLBFOX-UHFFFAOYSA-N 430.936 5.394 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 732399197 XDAMJIGJHNUBKT-SFHVURJKSA-N 443.503 5.361 30 20 IKED C[C@H](CSc1ccccc1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 732494704 KNLBIOSLBDVWEM-WIYYLYMNSA-N 430.529 5.555 30 20 IKED C#CCN(C(=O)Nc1cccc(CSC)c1)[C@H]1CCOc2ccc(Br)cc21 733633299 BTNTYVZMBBEQSQ-IBGZPJMESA-N 445.382 5.303 30 20 IKED C=CCOc1c(Br)cc(CNc2ccc(OC[C@@H]3CCCO3)cc2)cc1OC 734160256 RKUGKQIBYDSCNY-IBGZPJMESA-N 448.357 5.192 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)OCc1cc(Cl)ccc1OCC#N 735336180 GQQBSQAVPJRMJG-UHFFFAOYSA-N 446.887 5.082 30 20 IKED CCOC(=O)N1[C@H](C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC[C@H]1c1ccc(C)o1 736480072 VOFUPLVHFIZBPV-SNRMKQJTSA-N 441.553 5.141 30 20 IKED COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3cccc(-c4ccncc4)c3)c2)cc1 741470202 QVQPUZDZOAUIAG-MDWZMJQESA-N 434.495 5.906 30 20 IKED CC(=NNc1nc(-c2ccccn2)nc2c1CCC2)c1sc(-c2ccc(C)cc2)nc1C 741813599 UIMWBQOLJXQDDX-UHFFFAOYSA-N 440.576 5.604 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN(CC)Cc2cccc(-c3ccncc3)c2)c1=S 742158837 IYIJYDHFSHVULM-UHFFFAOYSA-N 442.592 5.204 30 20 IKED C[C@@H](c1ccc(Cl)cc1)N(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C1CC1 743097865 YASRINHMHNSYCK-AVRWGWEMSA-N 429.951 6.753 30 20 IKED C=CCn1c(C2CC2)nn(CN(Cc2cc(Br)ccc2F)C(C)C)c1=S 746034143 XTGKHKOVISSSAF-UHFFFAOYSA-N 439.398 5.247 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)n1 747193568 JXZNNWMAWCPVGA-DYVFJYSZSA-N 436.364 5.054 30 20 IKED CCN(C[C@H](O)c1ccc(C)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 748941622 GSXPHPNJZZQWBR-SANMLTNESA-N 443.547 5.342 30 20 IKED CC1([C@@H]2CCCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2)OCCO1 752502648 WIIQTDZIBLSXHM-NQIIRXRSSA-N 439.943 5.002 30 20 IKED COc1ccc(Br)cc1-c1nc(COC(=O)c2ccc(CC#N)cc2)cs1 758677716 BDGSHZXMBKPIRQ-UHFFFAOYSA-N 443.322 5.004 30 20 IKED C=C[C@@H](CC(=O)OCc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1)c1ccccc1 758920889 PXEBWUPKFURCGC-KRWDZBQOSA-N 440.952 5.884 30 20 IKED CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)[C@H](C#N)c1nc2ccccc2[nH]1)OCC3 759182634 KRAOFHQEYAXSHU-SIBVEZHUSA-N 426.520 5.051 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc(SC)c(Cl)cc2Cl)ccc1OC 760536397 IRUVBGDXZBDLRZ-ZDUSSCGKSA-N 439.364 5.335 30 20 IKED CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 763548524 MFZVUUKFHAYIQR-GOTSBHOMSA-N 445.563 5.318 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)cc2)cc1 764302651 RRAWPUUWMPTPEQ-UHFFFAOYSA-N 432.823 5.231 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 767189541 ITKYYKTYWOTBDZ-GOSISDBHSA-N 440.421 5.379 30 20 IKED CCCCN(C)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 770100843 USBPSDXMLIPNNJ-LJQANCHMSA-N 431.508 5.199 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1NC(=O)OC(C)(C)C 772544933 DOKKEVGMWWCFSX-GOSISDBHSA-N 431.492 5.337 30 20 IKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(C(=O)C(F)(F)F)CC1 775417445 QGYBZBAZQLWMLF-UHFFFAOYSA-N 436.274 5.100 30 20 IKED N#Cc1cc(N[C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)ccc1N1CCC(O)CC1 779159424 JQAONYZOFSEBAJ-VWLOTQADSA-N 449.501 5.322 30 20 IKED COc1cc(C=NOCc2ccc(Br)c3cccnc23)ccc1OC(F)F 784045535 YKHBLOXLNFXPFX-UHFFFAOYSA-N 437.240 5.158 30 20 IKED CSc1ccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1Cl 784362023 MSGPMASEURWPTC-LJQANCHMSA-N 435.936 5.295 30 20 IKED Cc1cc([C@@H](OC(=O)Cc2ccc(OCC#N)cc2)C(F)(F)F)ccc1Br 792138465 RZEKTLIOUUGWNZ-GOSISDBHSA-N 442.231 5.049 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1nc(Br)cs1 792534583 BZKINQJUVOBWFY-UHFFFAOYSA-N 436.278 5.182 30 20 IKED CC[C@H](C#N)Oc1cccc(CNCc2ccc(OC(F)(F)F)c(Br)c2)c1 792984963 IKFUMPLKLQTOAL-OAHLLOKOSA-N 443.263 5.318 30 20 IKED CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 793123550 ZAAWDZLMKFDXRE-GOEBONIOSA-N 435.396 5.895 30 20 IKED O=C(CNc1ccc(OC(F)F)c(C(F)(F)F)c1)Nc1ccccc1C(F)(F)F 795050308 ZLOFHBRSSSUORC-UHFFFAOYSA-N 428.279 5.376 30 20 IKED CC(=NO[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F)c1ccc(Br)cc1F 795245680 FGMYRSLSHKTIAZ-NSHDSACASA-N 447.226 5.375 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 797569489 QSKJUUWIVTVMSX-LBPRGKRZSA-N 440.447 5.046 30 20 IKED C#CC[C@H](Cc1ccccc1)NC(=O)c1ccccc1SCC(=O)Nc1ccc(C)cc1 804455499 HVQXHDWGGDNXGG-HSZRJFAPSA-N 442.584 5.090 30 20 IKED Cc1ccccc1[C@@H](O)C1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 806258544 SNMKZVUJHTXTEH-SANMLTNESA-N 441.531 5.637 30 20 IKED C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1 807405495 BFRJYTCPPUVKNK-HXUWFJFHSA-N 428.557 5.140 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 808788526 ZSVLELLNVBISFJ-RRWZXMNXSA-N 445.588 5.084 30 20 IKED Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)[C@H](C#N)c2ccc3ccccc3n2)cs1 810522072 WLDNTOFANMBETM-LJQANCHMSA-N 429.520 5.960 30 20 IKED CC(=NNc1ncnc2sc(-c3ccccc3)cc12)c1cccc(N2CCOCC2)c1 812392991 BXUVDHZIWSEWQZ-UHFFFAOYSA-N 429.549 5.031 30 20 IKED C#C[C@H](NC(=O)N1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1)c1ccc(F)cc1 812935211 ZUIHOVATELWMIN-RXVVDRJESA-N 449.551 5.221 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)o3)o2)c1 814493574 JJUWITOJZKFGTD-UHFFFAOYSA-N 439.349 5.244 30 20 IKED C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2cccc(Br)c2)no1 904292219 HPXMVTMVYZAZLQ-CYBMUJFWSA-N 428.714 5.208 30 20 IKED CC(C)(C)OC(=O)NC(C)(C)c1noc(-c2ccc(Oc3cccc(F)c3C#N)cc2)n1 904760973 BBUZSWHPUKNMKK-UHFFFAOYSA-N 438.459 5.299 30 20 IKED N#CCOc1cccc(/C=C2\SC(=S)N(CCSc3ccc(Cl)cc3)C2=O)c1 915634505 FAWOHEGJQWSKCB-AQTBWJFISA-N 447.006 5.236 30 20 IKED COC(=O)c1ccc(COc2ccc(/C=C\C(=O)c3ccc(Cl)s3)cc2OC)o1 916135662 FAXQWJIEBHAIAT-UTCJRWHESA-N 432.881 5.265 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Sc1ccccc1Cl 916899658 LAJJJHWSZKZEJA-OLZOCXBDSA-N 437.348 5.139 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc2c(Cl)cccc2s1 916909674 QHXQVQCQWLSQMK-QGZVFWFLSA-N 446.915 6.308 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(COc3ccccc3C#N)o2)cc1 916916038 UGAWSWVCTGCCSE-JOCHJYFZSA-N 441.487 5.034 30 20 IKED CCCOc1ccc(C(=O)CCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 916928604 OXFBLTUTSJEDBO-KRWDZBQOSA-N 447.318 5.093 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C(C)C)cc3)CCC2)cc1 1790569730 IKJYSAPKABHMBJ-FQEVSTJZSA-N 449.595 5.288 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2ccc(C)cc2)[C@H]1c1cccnc1 1812745068 PLOOOQTVEBCWIP-AOYPEHQESA-N 447.623 5.021 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)c2ccc(C)cc2)[C@H]1c1cccnc1 1812753902 WQRDPBXWMBEJQR-NQHRYMMQSA-N 447.623 5.192 30 20 IKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CC2CCCC2)[nH]n1 1819384517 QNUANZFJUPLFAN-OAQYLSRUSA-N 442.680 5.033 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2oc3ccccc3c2C)[nH]n1 1819554934 UHMXFEUMZOURMC-FQEVSTJZSA-N 448.567 5.763 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1 1823753598 VAABJCXAZJPFIC-QPPBQGQZSA-N 440.628 5.066 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)cccc2F)CC1 1824145894 OUNJYDLIBAOIKX-QHCPKHFHSA-N 426.576 5.136 30 20 IKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC2CCC(C)(C)CC2)CC1 1824960974 BQSGMLYKKJLXTD-JOCHJYFZSA-N 434.690 5.132 30 20 IKED Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(C)o1 1825881084 LXXXBVXKMKDPRJ-IQGLISFBSA-N 447.579 5.071 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)CC1 1830189693 GIMYDVJRVAMCIX-VWLOTQADSA-N 449.639 5.323 30 20 IKED CC1(C)CCC(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 1830423419 OEJXCDNPLMADLQ-VWLOTQADSA-N 449.639 5.398 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccccc2)cc1 10170629 JBDHWBVDIRBCLJ-UHFFFAOYSA-O 431.625 6.545 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1F)=C(/S)Nc1cccc(Cl)c1C 11258309 JZDMCHREFNXOIU-UHFFFAOYSA-O 445.942 5.827 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1ccc(C(C)(C)C)cc1 16866222 KIKZUJOOYDILNU-LJQANCHMSA-N 448.636 6.165 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(C)cc3)n2)nnc1[C@H]1COc2ccccc2O1 25354138 YEHIMVNJZXXVSQ-OAQYLSRUSA-N 446.532 5.232 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)nc2sccc2c1=O 36800392 YMVZAQCIENYIIJ-FQEVSTJZSA-N 447.585 5.425 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)o1 59368191 CMFIQGKNSLTFEG-LJQANCHMSA-N 429.501 5.317 30 20 IKED CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 62880059 PPWHJUGOWPTRNU-GAJHUEQPSA-N 432.907 5.604 30 20 IKED C=C(C)COc1cccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccn2)c1 72091048 BRYKJHFOBLHSRC-UHFFFAOYSA-N 439.519 5.209 30 20 IKED F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(CNCc2nc(C(F)(F)F)cs2)cc1 237689961 JSHBIXUABNNISD-GFCCVEGCSA-N 438.315 5.324 30 20 IKED N#Cc1cc(N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)ccc1C(F)(F)F 302171760 MNYFWOPXBNAVKN-LBPRGKRZSA-N 439.363 5.023 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(NC[C@@H]4CCCO4)c(F)c3)c2)c1 303779316 GOLAGMCIUQXDAF-QHCPKHFHSA-N 445.494 5.120 30 20 IKED Cc1cc(C)cc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 410382106 LEASKORXQRKJKL-KRWDZBQOSA-N 447.922 5.437 30 20 IKED O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CC[C@H](C(F)(F)F)c2ccccc21 432281281 CXCIWJCANLJKFC-LBPRGKRZSA-N 427.341 5.089 30 20 IKED Cc1cc(C)c(NC(=O)c2ccc(COc3ccccc3C#N)o2)c(Br)c1 432544925 FZFKXTVCCRHLQC-UHFFFAOYSA-N 425.282 5.362 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)Cc2csc(-c3ccccn3)n2)cc1F 437463323 RMHGRQLJVJYRJD-UHFFFAOYSA-N 430.464 5.189 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@H](c2ccc(F)cc2)O1 438048366 HIQPGPNZAVGXKN-MZNJEOGPSA-N 431.467 5.484 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC2CCC3(CCOCC3)CC2)cc1 438632652 LPPFITABIIQXKB-UHFFFAOYSA-N 433.552 5.193 30 20 IKED Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1ccccc1Sc1ccccc1C#N 439374789 FNHXSDCOWFYMRW-UHFFFAOYSA-N 441.556 5.410 30 20 IKED CC(C)c1ccc(Sc2ccc(NC(=O)C(=O)NCc3cc(C#N)ccc3F)cc2)cc1 442351180 NUENXEWQCBGAIY-UHFFFAOYSA-N 447.535 5.227 30 20 IKED Cc1c(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cnn1-c1cccc(Br)c1 443886843 UXUTZLUDBVCHQE-UHFFFAOYSA-N 449.230 5.086 30 20 IKED C=CC[C@@H]1N(C(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)CCCC1(C)C 444898561 OSNXRASLAYLKFZ-QFIPXVFZSA-N 426.582 5.259 30 20 IKED N#CCc1ccc(OCc2cccc(N3C(=O)[C@@H]4C[C@@H](C5CCCCC5)CN4C3=O)c2)cc1 445907293 LPHMEZKVQBBGQN-RDGATRHJSA-N 443.547 5.069 30 20 IKED Cn1cc(NC(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(C(F)(F)F)n1 446349747 PTODREIVNIMYHV-SNVBAGLBSA-N 448.289 5.273 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1 446523371 QAOMDWVCMAMZKN-UHFFFAOYSA-N 443.956 5.333 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nc(C(C)C)nc2ccccc12 447336613 WCJCQVVAPAMKGR-KRWDZBQOSA-N 434.565 5.189 30 20 IKED CC[C@@H](N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)c1ccc(C#N)cc1 447579944 MQIABNOMNNHPDP-RPWUZVMVSA-N 440.515 5.070 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 460392972 HPUAYOOVANOSGU-LAUBAEHRSA-N 440.519 5.214 30 20 IKED Cc1ncsc1-c1nc2ccccc2n1CC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 463759314 HFRGTUQRNJQCKU-FQEVSTJZSA-N 443.576 5.147 30 20 IKED COc1cc(CN[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c([N+](=O)[O-])cc1F 464483468 YFXKUPAIIJDXMG-HNNXBMFYSA-N 426.288 5.155 30 20 IKED COc1cc(CN[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c([N+](=O)[O-])cc1F 464503393 WHPNORQCUSBKLN-OAHLLOKOSA-N 426.288 5.155 30 20 IKED COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(C#N)cc1 465667376 WUHPKKZKKOAPDT-RTWAWAEBSA-N 427.548 5.471 30 20 IKED C[C@@](Cc1nc2ccccc2s1)(C(=O)NCCc1cccc(C#N)c1)c1ccccc1 466616226 CWYQIILYYGJLNQ-SANMLTNESA-N 425.557 5.027 30 20 IKED COc1ccc(C(=O)Nc2ccc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)s2)cc1 467064430 MVKIIOMFMXQPPS-OAHLLOKOSA-N 425.535 5.079 30 20 IKED COCC[C@@H]1CCCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 467158909 FHSIHEQFOBCJOV-AVRDEDQJSA-N 425.960 5.666 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1ccccc1OC 468649020 SBHQLSYDJJIQPS-QGZVFWFLSA-N 447.564 5.660 30 20 IKED CO[C@@H]1CCOc2c(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cccc21 468676581 UZPLQSQUIYPLPN-JOCHJYFZSA-N 430.529 5.573 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)cc1CNc1ccc2c(c1)CCC(=O)N2CCCC#N 468889857 GPMSIBRPRQKGRU-UHFFFAOYSA-N 433.943 5.029 30 20 IKED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(=O)Nc1ccc(Cl)c(Cl)c1 469354392 XNYBRBPMLLWTKQ-CQSZACIVSA-N 445.350 5.015 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@@H]3CCCC[C@@H]3Cc3ccccc3)ccc21 470554763 CSHXBJFNMWBIOJ-ZJSXRUAMSA-N 444.579 5.193 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccc(Oc2ccccc2OCC)nc1 471686022 CVFVRIACPOPXCU-UHFFFAOYSA-N 431.536 5.561 30 20 IKED Cn1ccc2cccc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)c21 472934000 NTRPGBPYWTVUKE-UHFFFAOYSA-N 440.528 5.033 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CC[C@@]3(C2)OCc2ccccc23)cc1 474431986 JOMUWGDNOAIEMA-SANMLTNESA-N 426.541 5.122 30 20 IKED Cn1cc(CNc2cccc(C[S@@](=O)C3CCCCC3)c2)c(-c2ccc(C#N)cc2)n1 478200114 SINSCIQAHONVQD-WJOKGBTCSA-N 432.593 5.152 30 20 IKED CC[C@@H](c1nnc(SCc2ccc(Cl)cc2C#N)n1-c1ccc(OC)cc1)N(C)C 479201240 CIVKEDRZQKPTIN-FQEVSTJZSA-N 441.988 5.106 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H]2CCC3(CCCCC3)O2)cc1 479608303 OJWGOJWLIVPDLT-QHCPKHFHSA-N 433.552 5.335 30 20 IKED C=C(C)[C@H](NC(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1)c1ccc(F)c(F)c1 481002941 JOHHURVPVSZGDV-KRWDZBQOSA-N 437.372 5.003 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N2C[C@H](C)C[C@H]2c2ccc(C(F)(F)F)cc2)cc1 483012091 FEPKBSNWWUCSKU-QRWLVFNGSA-N 431.458 5.236 30 20 IKED COCC1(C#N)CCN(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 484399297 DOVKTUITVHVSPI-FQEVSTJZSA-N 432.351 5.045 30 20 IKED CCOc1ccccc1Oc1ccccc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 484553316 BWOJCHPSCDXQKO-QGZVFWFLSA-N 447.441 6.112 30 20 IKED COc1ccc(CN[C@H]2CSc3ccc(Br)cc32)cc1OCCCC#N 486803328 QTQQIAYVADILMI-KRWDZBQOSA-N 433.371 5.077 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@@H]3CCC[C@@H](c4ccccc4)C3)ccc21 487234130 IEFYGPUAKQKWPG-IFMALSPDSA-N 430.552 5.117 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1SC[C@H](O)COC(c1ccccc1)c1ccccc1 488565880 WVVDQHMNSTWNJH-LJQANCHMSA-N 444.478 5.231 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1cccs1 495431971 PIDXRLZFBMMVPB-VWLOTQADSA-N 434.609 5.437 30 20 IKED C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccc(-c2ccncc2)cc1 498703887 LYPPRQJNVKSVNG-SFHVURJKSA-N 444.510 5.073 30 20 IKED Cc1cc(SC2CCCCC2)ccc1NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 498931670 RUIGEKZMQOTQRW-UHFFFAOYSA-N 435.597 5.041 30 20 IKED C[C@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccccc1C(F)(F)F 500987544 HTOKRNAVIDOZGF-NSHDSACASA-N 445.338 5.540 30 20 IKED Cc1ccc(C)c(NC(=O)Cc2nc(CN3CC=C(c4ccc(C#N)cc4)CC3)cs2)c1 502532761 WCVJJDDBLUSXEY-UHFFFAOYSA-N 442.588 5.102 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3ccc(OCc4ccccn4)cc3)cc2)c1 502981853 KWLYXAMDIPOKGP-UHFFFAOYSA-N 449.510 5.292 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 503421918 PAOIYDIDLWZQBT-GOSISDBHSA-N 441.560 5.318 30 20 IKED COc1ccc(-c2cc(NC(=O)Cc3c(F)cccc3C#N)ccc2OC(F)F)cc1 505865150 WTZIBLGXUVPOSJ-UHFFFAOYSA-N 426.394 5.156 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)o1 505932807 BFRCOSNNCYRABO-GOSISDBHSA-N 426.259 5.032 30 20 IKED N#C[C@@H](NC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1)c1ccccc1F 505936714 AMUNWBNQQGPXOG-HXUWFJFHSA-N 432.842 5.191 30 20 IKED C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N(C)C[C@@H](C)c1nccs1 508747876 PKBRIVUKPWCSNN-LJQANCHMSA-N 445.592 5.407 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 508942270 PJGLLSPEEIORMX-UHFFFAOYSA-N 445.525 5.320 30 20 IKED CCN(C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 509564043 KHAXFZNSHSYXSJ-NLFFAJNJSA-N 425.532 5.029 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCCc3cc(OC(F)F)ccc32)cc1 509658385 PXTWVTBJBAZPPQ-UHFFFAOYSA-N 434.442 5.332 30 20 IKED COc1ccc(F)cc1[C@@H](C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511343848 VQUKSPOJWQQCPS-QGZVFWFLSA-N 433.483 5.362 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCCc3cccc(OC(F)F)c32)c1 511497323 XKOHAGFBAPLABW-UHFFFAOYSA-N 434.442 5.332 30 20 IKED CCCN(CC)C(=O)c1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 511702508 XBVAVEHCACEASY-QGZVFWFLSA-N 425.941 5.312 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CC[C@H](C(F)(F)F)C4(CCC4)C3)c2)cc1 513521318 XYNHEGRGELCBID-NRFANRHFSA-N 428.454 5.332 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)n1 516344876 KBEVRBVPDSPMEB-QGZVFWFLSA-N 444.434 5.496 30 20 IKED Cc1ccccc1[C@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)NC(N)=O 518324853 ZFSRLIKKHAKZTD-NRFANRHFSA-N 448.910 5.051 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cc1Br 518668849 PQKZLEXXCFRZMI-UHFFFAOYSA-N 447.251 5.865 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl 518740864 XZGCJAKHCQIJCY-CQSZACIVSA-N 441.318 5.800 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(Cn3ccnc3)cc2)cc1 518767985 QICBEXOZEOPDAW-UHFFFAOYSA-N 438.556 5.025 30 20 IKED CN(Cc1csc(Br)c1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 518906804 VXPOUMFBPMEUSI-UHFFFAOYSA-N 441.350 5.641 30 20 IKED Cc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2SC[C@H](C)C#N)c1C 519415832 YQDYHOCVHUCLHH-MRXNPFEDSA-N 436.606 5.472 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(F)ccc1I 519516249 DWYWLGFRAIALOJ-LLVKDONJSA-N 440.281 5.077 30 20 IKED Cc1ccccc1OCCCC(=O)Nc1ccc(CNc2ccc(Cl)c(C#N)n2)cc1 520243487 LINSCEFYZCQTCD-UHFFFAOYSA-N 434.927 5.325 30 20 IKED COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1 524013452 QGMGJSQRQKSSHQ-SFHVURJKSA-N 445.475 5.186 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCO[C@H](c3ccccc3F)C2)cc1 524053856 VNHNHGARGLDXAZ-QHCPKHFHSA-N 432.520 5.203 30 20 IKED Cc1ccc(C[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)c2ccccn2)cc1 524537208 IMWBKIRNDWZSFY-DEOSSOPVSA-N 437.499 5.148 30 20 IKED Cc1nnc(-c2cccc(C(=O)[C@H](C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)c2)o1 531865893 DVHOPDJIEVFEKE-ILGMOKPNSA-N 444.560 5.459 30 20 IKED CCN(C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C)c1ccc(C#N)c(Cl)c1 534385843 RPFCPCMBODXLOY-UHFFFAOYSA-N 432.833 5.391 30 20 IKED C[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1ccc(OCc2ccc(F)cc2)cc1 537101146 AXBADHRBWFKKRC-KRWDZBQOSA-N 428.467 5.177 30 20 IKED N#CCCSc1ccccc1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 538523458 ZZAKMFLUFFLSAS-UHFFFAOYSA-N 432.505 5.465 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(Sc3ccc(Cl)cc3)cc2)n1 539145267 DYTKMFBZVHGSCM-KRWDZBQOSA-N 442.949 5.614 30 20 IKED CCOc1cccc([C@H]2C[C@H]2NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 539454975 MMAOKAJUOOPNPF-AOYPEHQESA-N 441.531 5.408 30 20 IKED CCCCCN(C(=O)c1ccc(C2(C#N)CC2)cc1)c1nc(C)c(C(=O)OCC)s1 539599435 NNHWUVFLUPUCNI-UHFFFAOYSA-N 425.554 5.020 30 20 IKED CC(=O)N1CCCc2cc(NC(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)ccc21 543881147 BDTJRQWEDBYUEW-GOSISDBHSA-N 438.531 5.407 30 20 IKED COc1ccccc1-c1ccc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1 544296602 HYDCFSNYXWAYAK-IBGZPJMESA-N 425.532 5.669 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(CC)(CC)Cc1nc2ccccc2s1 553084696 VJWOZGACIJHMBA-UHFFFAOYSA-N 426.582 5.335 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)Cc1nc(O)c2cc(-c3ccccc3)sc2n1 554196190 MQGYNUPCFFKIOF-UHFFFAOYSA-N 428.561 5.594 30 20 IKED Cn1c([C@H](C#N)C(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)nc2ccccc21 557408764 KZULCNKJTIKYMZ-OAHLLOKOSA-N 441.434 5.690 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1csc(COc2ccc(F)cc2)n1 558756529 GKDKRNGYIDUCOG-UHFFFAOYSA-N 439.899 5.058 30 20 IKED CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(C#N)cc1C(F)(F)F 570326006 FBRQNPXSCMMTLK-UHFFFAOYSA-N 430.257 5.344 30 20 IKED Cc1cc(C#N)ccc1-c1nc(-c2cc(Br)sc2Br)no1 575865977 YXWATKGAEHFFGW-UHFFFAOYSA-N 425.105 5.170 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCn3c(C4CCCC4)nnc3[C@H]2C)cc1 583520485 SDNWYSQMLVPBNS-GOSISDBHSA-N 441.535 5.125 30 20 IKED CC1(C(=O)N[C@@H]2CCSc3c(F)cccc32)CCN(c2ccc(Cl)cc2C#N)CC1 583556270 OKEICRQBMUGRNS-LJQANCHMSA-N 443.975 5.311 30 20 IKED CN(C(=O)CCCCCC#N)[C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 588939648 GOLFASSQVVKWGP-NRFANRHFSA-N 433.777 6.124 30 20 IKED CCc1ccc([C@H](C#N)N(C)C(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1 589829318 WANSFMKOPSHHGU-QFIPXVFZSA-N 427.508 5.171 30 20 IKED Cc1c(C(=O)N2CCN([C@H](C)c3nc4ccccc4s3)CC2)sc2ccc(C#N)cc12 590060485 SRACVPOPVGLKHS-MRXNPFEDSA-N 446.601 5.210 30 20 IKED N#Cc1cc(NC(=O)N2CCC(CCc3ccc(O)cc3)CC2)ccc1OCC(F)(F)F 603660295 HJQIXEROQQMUKB-UHFFFAOYSA-N 447.457 5.082 30 20 IKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)c2ccccc2C(F)(F)F)cc1 603983908 RZCLDBREZCRCCK-UHFFFAOYSA-N 446.450 5.151 30 20 IKED CC(=O)N[C@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc(C)cc1 604027250 QUSITZAHTZSUBY-HSZRJFAPSA-N 447.922 5.518 30 20 IKED Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)C2)cc1 604456699 FXZOHELLULURAY-JOCHJYFZSA-N 439.515 5.150 30 20 IKED COc1ccc2c(c1)CCC[C@H]2NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 604500537 RPVAVVKCSRZDBV-XMMPIXPASA-N 440.503 5.018 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cn(C)nc1C1CCCCC1 609060750 LZSINBBCFGBMAI-UHFFFAOYSA-N 428.536 5.479 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]1c1cccc(F)c1 609078685 HXCYFGZVCKWLES-VWLOTQADSA-N 429.495 5.954 30 20 IKED COc1cc(C(=O)Nc2ccc(F)c(C#N)c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 609103414 WSYMQARDYIQTMS-UHFFFAOYSA-N 441.802 5.312 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccnn2CCc2ccccc2)cc1 609298999 ZNJYVQHGTATSBB-UHFFFAOYSA-N 426.451 5.181 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 609403093 SAMMAQZGMWPLFJ-VFNWGFHPSA-N 442.009 6.564 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 609403161 XWRDRXLZYWCNAL-IRXDYDNUSA-N 436.606 5.960 30 20 IKED C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 609429232 MRGCUDWVWKJQCW-LLVKDONJSA-N 434.892 5.554 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1 609438495 IBYZWALSTLHNFG-QBIMZIAESA-N 430.371 5.521 30 20 IKED Cc1ccc2nc([C@H]3CCCN3C(=O)c3cccc(COc4ccc(C#N)cc4)c3)[nH]c2c1 609643606 NISUWYUIOHHWIZ-RUZDIDTESA-N 436.515 5.299 30 20 IKED C[C@@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nc(-c2ccncc2)cs1 609662399 CNTFQVVAOUQDOA-QGZVFWFLSA-N 440.528 5.147 30 20 IKED C=CCN(C(=O)C[C@@H](C)CC(C)(C)C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 614532154 QMCUYJBGLDDMJC-MRXNPFEDSA-N 434.627 5.195 30 20 IKED O=C(NCCc1ccccc1C(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618918390 KBXTXFBXYJBXLI-VXGBXAGGSA-N 436.318 5.020 30 20 IKED CN1[C@H]2CC[C@H]1CC([C@H](NC(=O)N[C@@H]1CCc3cc(C#N)ccc31)c1ccc(Cl)cc1)C2 619803452 JZPWQQKGMQITAM-ZCAIMPEWSA-N 448.998 5.112 30 20 IKED C=CCn1c(S[C@@H](C(=O)N2CCC[C@H](C)C2)C(C)C)nnc1-c1ccc(Cl)cc1 639428406 VHZFPHYBDFYDQA-QFBILLFUSA-N 433.021 5.160 30 20 IKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)C2CC2)nnc1-c1ccc(Cl)cc1 644100465 DPIBKHKFNISMCJ-OAQYLSRUSA-N 438.984 5.144 30 20 IKED CC(C)Cn1ncc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1C(F)F 677675181 XDRJGLOJHPYFLN-UWVGGRQHSA-N 436.347 5.071 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N[C@H](CCc2ccccc2)C(F)(F)F)c1C(F)F 679214971 WAVBJUJSVSUZQR-LLVKDONJSA-N 443.338 5.153 30 20 IKED CC(C)(C)C[C@H](NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C(F)(F)F 679305142 DSXDJTISSSJRDP-QXEWZRGKSA-N 430.355 5.562 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(OC(F)F)cc2)nnc1-c1ccccc1OC 684999066 YYFDWZAOZKMDGF-AWEZNQCLSA-N 445.491 5.105 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1csc(-c2ccccc2Cl)n1 727562278 WBDMAJYZCSKNOZ-CQSZACIVSA-N 446.981 5.285 30 20 IKED Cc1ccc(-c2csc3nc(/C(Cl)=C\c4cccc(OCC#N)c4)nc(O)c23)s1 730152026 XYRWCFINAOPLNE-MHWRWJLKSA-N 439.949 6.073 30 20 IKED C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 730691775 MJUIEOKOYVYLKU-ACJLOTCBSA-N 440.355 6.044 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CSc1ccc(Cl)cc1 731061388 AJODUIGWKSTMHS-AWEZNQCLSA-N 434.970 5.008 30 20 IKED CN(C)c1cccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1 735567590 SWWJJBQOSZLZFM-QHCPKHFHSA-N 427.508 5.181 30 20 IKED N#Cc1ccc(-c2cccc(CNCc3cn(-c4ccccc4)nc3-c3ccncc3)c2)s1 740011881 VEXSTYJXBVROSO-UHFFFAOYSA-N 447.567 5.824 30 20 IKED COc1ccc(-c2nc(S[C@H](c3ccccc3)c3ccc(F)cc3)nc(O)c2C#N)cc1 741850127 ODPVULWUUMJGAE-HSZRJFAPSA-N 443.503 5.750 30 20 IKED COc1cc(C=NOCc2ccc(OC)c(SC(F)(F)F)c2)ccc1OC(C)C 742350770 JRGMZBBRLHCHEB-UHFFFAOYSA-N 429.460 5.654 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 742765161 DBAWPPKOQXSFDS-UHFFFAOYSA-N 448.475 5.321 30 20 IKED CSc1cccc([C@@H](NC(=O)Nc2cccc(OCC#N)c2)c2cc(F)ccc2F)c1 743102432 HMJXSOYEERNPSM-JOCHJYFZSA-N 439.487 5.500 30 20 IKED C[C@@H](OC(=O)[C@@H]1CCSc2ccccc21)C(=O)Nc1sc2c(c1C#N)CCCCC2 745424334 KKNAVXVILRKKTD-RHSMWYFYSA-N 440.590 5.038 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN(Cc2ccc(F)cc2F)C2CCCC2)c1=S 746064256 KRKXXNXZZWEVGD-UHFFFAOYSA-N 441.551 5.343 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccc(NC(=O)COC)cc1)c1ccc(C(F)(F)F)cc1 750293885 FZOFWVGMRUFEDV-LJQANCHMSA-N 435.446 5.119 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 752685813 IPZZTKKZPVRRQB-WOJBJXKFSA-N 433.899 5.226 30 20 IKED C[C@@H](OC(=O)c1cc(F)c(C(F)(F)F)c(F)c1)C(=O)Nc1ccccc1C(F)(F)F 758856310 JRQKSTISOPYEJK-MRVPVSSYSA-N 441.274 5.186 30 20 IKED CC(C)(C)c1ccc(OCc2nnc(S)n2N=Cc2ccc(F)c3cccnc23)cc1 759185601 QHPDXFKXRGSUSC-UHFFFAOYSA-N 435.528 5.013 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCc3ccc(C(C)C)cc3C2=O)cs1 760229008 FNFFDKJSCMWJAL-FYJGNVAPSA-N 430.573 6.472 30 20 IKED CCCc1cc[n+](/C(C(=S)Nc2ccccc2Cl)=C(/O)c2ccc(C#N)cc2)cc1 762445758 XZVOAFSUNXEZJC-UHFFFAOYSA-O 434.972 5.775 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 766482022 NYOVAWLVMVULFT-UYAOXDASSA-N 437.565 5.068 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 767880896 DQSSZCANSXSLOQ-KDOFPFPSSA-N 436.512 5.439 30 20 IKED CCN(C(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)c1ccc(C#N)c(Cl)c1 769472576 ADBFKKRKTHJCDB-UHFFFAOYSA-N 425.916 5.129 30 20 IKED C[C@H](OC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)Nc1ccc(Cl)cc1Cl 769546594 NRNXGWVHTWHHRR-AWEZNQCLSA-N 444.318 5.436 30 20 IKED COc1ccc(CNc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)cc1OCCCC#N 770546283 VMSISZGLQKJJSH-UHFFFAOYSA-N 437.540 5.287 30 20 IKED COc1ccccc1[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)OC(C)C 771115248 PZYKJAARXAWUGP-AHWVRZQESA-N 443.547 5.638 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)c1cccc(OC(F)(F)F)c1 775546200 BBZIIBNJSJOTFS-GJZGRUSLSA-N 437.487 5.269 30 20 IKED Cc1c(C#N)c(NC(=O)c2cc(Br)cnc2Cl)n(-c2ccccc2)c1C 776818121 YNVATYWVIUVTNW-UHFFFAOYSA-N 429.705 5.029 30 20 IKED Cc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc(Cl)n1 777530289 DAQMEWXWCHJCOJ-UHFFFAOYSA-N 436.846 5.234 30 20 IKED Sc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(Br)c2cccnc12 777877815 ARNZKUROLSVNRC-UHFFFAOYSA-N 444.745 5.080 30 20 IKED CC(C)(C)n1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(Br)n1 779906843 LMAOXMZJNPXSQL-UHFFFAOYSA-N 439.313 5.317 30 20 IKED CCOc1ccc(NC(=O)c2ccc(NC(=O)Nc3ccccc3O[C@H](C)C#N)cc2)cc1 780465865 WPILFTMHFRMIMH-QGZVFWFLSA-N 444.491 5.272 30 20 IKED CC(=O)c1ccc(Oc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc2)cc1 783350563 NSCYIFDGSYXZIQ-QFIPXVFZSA-N 432.863 5.296 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccnn1-c1ccccc1 790289515 JTLGGNAEHDICEY-UHFFFAOYSA-N 445.935 5.155 30 20 IKED N#Cc1ccc(CCC(=O)OCc2csc(-c3ccc(Br)cc3)n2)cc1 792749649 PVLLLVRIQCRXTC-UHFFFAOYSA-N 427.323 5.120 30 20 IKED CC(C)(C)OC(=O)NCC1CCC(=NNc2nc(C(F)(F)F)nc3ccccc23)CC1 794886540 ARPCUZNIURXTNX-UHFFFAOYSA-N 437.466 5.131 30 20 IKED Cc1ccc(C)c(NC(=O)Cc2nc(COC(=O)c3ccc(C(C)(C)C#N)cc3)cs2)c1 796039108 CQPGMIMXARYEHU-UHFFFAOYSA-N 447.560 5.099 30 20 IKED CC(=O)N(c1nc(COC(=O)c2ccc(C(C)(C)C#N)cc2)cs1)c1ccc(C)cc1C 796040240 WNZMPRBGPQBEHP-UHFFFAOYSA-N 447.560 5.603 30 20 IKED C#Cc1cccc(NC(=S)N(Cc2ccc(C)cc2Br)C[C@H]2CCCO2)c1 798374655 XFFDNDOEDGBIFN-HXUWFJFHSA-N 443.410 5.117 30 20 IKED Cc1nc(C(=O)O[C@@H](c2ccc(C(F)(F)F)cc2)C(F)(F)F)nn1-c1ccc(F)cc1 809128290 RVPWDXDIDHFARC-HNNXBMFYSA-N 447.310 5.194 30 20 IKED N#CCCCC(=O)OC1C[C@@H]2CC[C@H](C1)N2C(=O)OCC1c2ccccc2-c2ccccc21 813090503 OVWHVXZEHVMUFW-YOFSQIOKSA-N 444.531 5.168 30 20 IKED N#C[C@@H](C(=O)CCCNC(=O)NC1CCCCC1)c1nc(-c2ccc(Cl)cc2)cs1 915102394 YEHNLTJCPCLMLM-SFHVURJKSA-N 444.988 5.052 30 20 IKED CC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1OC(F)F 915352805 KDJHLUXPNRXXRK-FCHUYYIVSA-N 435.474 6.216 30 20 IKED CCOc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccccc3F)cc2OC)cc1 916135809 UYNFXSSJBAMWJZ-RIYZIHGNSA-N 449.478 5.147 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC(C4CCCCC4)CC3)s2)cc1 916692108 YMBUHWXBGGDRFC-UHFFFAOYSA-N 441.626 5.526 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCCSc1ccc(Cl)cc1 916903000 JYEYUBLLNNSTBS-HXUWFJFHSA-N 428.985 5.685 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc3cccc(F)c3c2COC)cc1 916950481 UALHGOFMSNEFGS-WMLDXEAASA-N 438.524 5.661 30 20 IKED CCCOc1ccc(OCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917042942 JIQGZSVGXZRWCL-MRXNPFEDSA-N 434.439 5.359 30 20 IKED N#Cc1cccc(COc2cccc([C@H]3Nc4ccccc4C(=O)N3CC(F)(F)F)c2)c1 917415865 FYMUCOZROAICNG-QFIPXVFZSA-N 437.421 5.266 30 20 IKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 918276722 HMRXMQJLZZVMLE-RPWUZVMVSA-N 425.532 5.184 30 20 IKED C=CCn1c(CCN2CCCCC2)nn(CN2CCC[C@@H]2c2ccc(C)c(C)c2)c1=S 920485588 UJCMOPJTBXGYNB-HSZRJFAPSA-N 439.673 5.040 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc5c(F)cc(F)cc5[nH]4)CCC3)cc2)C1 1785807468 DAGVBDYICCNZLM-UHFFFAOYSA-N 435.474 5.160 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc4ncsc34)CCC2)cc1 1786366985 MOFRHKXFOJWXTR-UHFFFAOYSA-N 449.576 5.027 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc4c(C)cccc4[nH]3)CCC2)cc1 1786679040 WUFBMZSLSATNOB-UHFFFAOYSA-N 433.577 5.143 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCCc3ccncc3)cc2)CCC1 1786906847 RMDMTJPBLFNFNP-DEOSSOPVSA-N 431.580 5.307 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccnc(C(F)F)c3)cc2)CCC1 1787014316 HSDJRKMISVVDOG-UHFFFAOYSA-N 439.506 5.535 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)CCCC4=O)cc2)CCC1 1789041440 XFHNZKZBULTAAE-GOSISDBHSA-N 430.548 5.166 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CS[C@H]3CCCCO3)cc2)CCC1 1789550194 OPBJJBZKSLPOOY-GMAHTHKFSA-N 442.625 5.149 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Nc3ccccn3)cc2)CCC1 1789663847 RXPRLCGGCMLHCW-LJQANCHMSA-N 434.584 5.009 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CC(C)(C)C(=O)OC(C)(C)C)CCC2)cc1 1791249326 QBSDQPMUOIUPSV-GOSISDBHSA-N 442.600 5.091 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccc(F)cc3)CCC2)cc1 1791588434 OLWSARNZAZEHDT-UHFFFAOYSA-N 429.495 5.212 30 20 IKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(CCC)cc2)[C@@H]1c1cccnc1 1803085728 CDGAGKIMVPRFCZ-CLJLJLNGSA-N 445.607 5.122 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)s2)[C@H]1c1cccnc1 1805527628 VXRZEFITDGAOBI-FXAWDEMLSA-N 446.016 5.109 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(Cl)s3)C2)CC1 1806797978 PBZAHZGJNMVEJO-UHFFFAOYSA-N 437.049 5.168 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3[nH]c4c(Cl)cccc4c3C)C2)CC1 1810731344 BONOTKIQVZCCEH-QGZVFWFLSA-N 442.003 5.187 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(CCC)cc2)[C@@H]1c1cccnc1 1812031788 YXVXWEQIBWYBDH-NXCFDTQHSA-N 445.607 5.122 30 20 IKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(C)c3Cl)[nH]n2)C1 1814398646 OKZPDRTXNGFSDC-SFHVURJKSA-N 447.366 5.297 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2C(C)(C)C)n[nH]1 1817709870 HMECXHRIPFUIMX-RXVVDRJESA-N 449.599 5.177 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3occc3c2)n[nH]1 1818703353 WGXRTAGUXUUIBE-HXUWFJFHSA-N 434.540 5.454 30 20 IKED CC1(C)CCC(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)CC1 1820977984 CROPRCNRLBUAQA-JOCHJYFZSA-N 447.583 5.194 30 20 IKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCCC(C)(C)C)CC1 1830418959 IGLQKDAFRCTOAC-FYYLOGMGSA-N 449.680 5.404 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2ccccc2Oc2ccccc2)C1 1844867415 HGKLOLCEPYZJFK-QFIPXVFZSA-N 430.548 5.064 30 20 IKED CCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2ccc(Cl)cc2)cc1 10831810 SSEQLDXKLVGZAA-UHFFFAOYSA-O 430.380 5.894 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)nnc1-c1ccccc1 21754850 AUWHSGVDTQIMTB-RTBURBONSA-N 442.588 5.642 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc3ccccc3c2)nnc1-c1ccc(F)cc1 22100883 TXOHRXGJYSSHHY-INIZCTEOSA-N 432.524 5.543 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2Cl)cc1 29203109 UFLFEPYMDXQILR-UHFFFAOYSA-N 435.911 5.332 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nc2sccc2c1=O 36799845 GSZXKXZOKDCWIJ-UHFFFAOYSA-N 449.557 5.167 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1coc(-c2ccc(Br)cc2)n1 63381128 DBALQPHMFGHVBT-UHFFFAOYSA-N 428.286 5.201 30 20 IKED COc1ccc(-c2cnc(CCC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)o2)cc1 63941324 BSXRKIAEBIIQIH-UHFFFAOYSA-N 439.471 5.585 30 20 IKED CCN(Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1)C(C)C 110126648 OVMBZGPARLGMAJ-UHFFFAOYSA-N 440.547 5.293 30 20 IKED CSc1cccc(F)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 409647411 XVJXOIFHMRJQHA-UHFFFAOYSA-N 426.900 5.904 30 20 IKED N#CC1(C(=O)Nc2ccc3c(c2)[C@H](NC(=O)C2(C#N)CCCCC2)CCC3)CCCCC1 410231681 GDXGWJMQYGTBCH-JOCHJYFZSA-N 432.568 5.067 30 20 IKED Cc1ccc(CN2CCCC2)cc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 427492635 LGBWGYVFCCVGGL-UHFFFAOYSA-N 425.532 5.294 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1OCC 429186730 YJBFGFAJXRRIGF-UHFFFAOYSA-N 448.567 5.027 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O 429757130 JLEHKVGXDOHQBY-BSDZUQITSA-N 441.572 5.115 30 20 IKED CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(C#N)c(C#N)c1 430719187 YWPXEWQLUCPPKR-UHFFFAOYSA-N 425.275 5.767 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 436324939 MVCAEVWYTVYPCB-ZJSXRUAMSA-N 425.463 5.402 30 20 IKED CCC[C@H](CCCS(C)(=O)=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 436426683 XVVGCXHXIXQVLV-QGZVFWFLSA-N 448.972 5.184 30 20 IKED C[C@@H](SCc1nccn1CC(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 437266486 KGRHLGNUEIKOEW-SECBINFHSA-N 436.343 6.477 30 20 IKED CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 437487743 BEBVWLYXGITSBW-SFHVURJKSA-N 446.478 5.417 30 20 IKED C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)[C@H](OC1CCOCC1)c1ccccc1 437815156 LXJYKBMBRUZLRH-HRFSGMKKSA-N 440.543 5.280 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O 439352458 FYWBBMHJSLVISX-IMYILZHDSA-N 433.552 5.452 30 20 IKED Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 439395810 WOOSRAOVNRWXJB-UHFFFAOYSA-N 439.393 5.255 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CC(C)(C)CCc2ccccc21 443135647 VTEJSDUZIXAUHL-UWJYYQICSA-N 435.593 5.239 30 20 IKED C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 460568226 TXGJDBVCIGUQRT-NRFANRHFSA-N 441.583 5.231 30 20 IKED N#CCCCOc1cccnc1NC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 466615566 IPZZQBPADCSLJV-UHFFFAOYSA-N 432.446 5.194 30 20 IKED COCCn1c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)nc2ccccc21 468166285 XRRWMKLMASHOIG-UHFFFAOYSA-N 442.544 5.099 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1nnc(-c2ccccc2)s1 470809084 YOORGXQJNNZHAO-UHFFFAOYSA-N 428.542 5.158 30 20 IKED N#Cc1c(NC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)sc2c1CCCCC2 475014259 FABJSZHMKHWGDV-UHFFFAOYSA-N 426.929 5.163 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccc(Sc3nncs3)cc2)cc1 479648728 AFQDQTIUFBFUHQ-UHFFFAOYSA-N 446.582 5.964 30 20 IKED COc1ccc(/C=C\c2nc(O)c3cc(Br)sc3n2)cc1OCCCC#N 480033274 DTURPSHCDOJBOX-ALCCZGGFSA-N 446.326 5.021 30 20 IKED CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 482178052 HCMYMFJOMJLKBE-UHFFFAOYSA-N 433.895 5.260 30 20 IKED Cc1ccc2nc(COc3ccc(C(=O)N[C@H](CCCC#N)c4ccccc4)cc3)cn2c1 487152510 FVTNICLFJFVURO-RUZDIDTESA-N 438.531 5.387 30 20 IKED O=C(N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F)N[C@H](CC(F)(F)F)c1ccc(F)cc1 490779283 AXVROGDBINQUOG-SJORKVTESA-N 447.354 5.903 30 20 IKED CCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 500740487 TWQNTTDZJICARG-UHFFFAOYSA-N 449.532 5.063 30 20 IKED COC(=O)[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccc(C)cc1 504052348 KHABWYGZAXPTQO-HSZRJFAPSA-N 443.503 5.046 30 20 IKED CC(C)n1ncc2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc21 504683763 GLULMFWIBBKDBM-UHFFFAOYSA-N 426.545 6.033 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1 508277020 YHQDDFXELMFGIW-CJAUYULYSA-N 443.503 5.353 30 20 IKED C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(N2CCCCC2)CC1 508747750 PBSHFOXZZLIHLI-UHFFFAOYSA-N 448.640 5.018 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OCc4csc(C)n4)c3)n2)cc1 509535093 DGFWRRFAPFPXQE-OAQYLSRUSA-N 445.569 5.953 30 20 IKED CCOc1cc(CN[C@H](C)c2ccc(C#N)cc2)cc(Br)c1OC(F)F 509621349 UMRMSSVFFZCGSY-GFCCVEGCSA-N 425.273 5.172 30 20 IKED C=CCN1C(=O)c2ccccc2N[C@H]1c1csc(N(C(C)=O)c2ccc(Cl)cc2)n1 510691950 XJSWDQKLUYYLEB-HXUWFJFHSA-N 438.940 5.234 30 20 IKED Cc1ccc(C)c(OC2CCN(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)CC2)c1 510763551 KSPMBXCHBQSZSJ-UHFFFAOYSA-N 447.457 5.192 30 20 IKED CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1cn(CCC#N)nc1-c1ccccc1 511478484 NYIMRCAJYNNVKM-UHFFFAOYSA-N 442.542 5.058 30 20 IKED C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc2n[nH]cc2c1 511633584 GLOCXVUUKVOCNA-QGZVFWFLSA-N 427.483 5.047 30 20 IKED COc1ccc(N(Cc2cccs2)C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1 511974357 RLIZXBWDCGUUJH-UHFFFAOYSA-N 449.551 5.217 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2c(F)cc(F)cc2-c2ccccc2)o1 512846698 QUGQWBBYCRZMMG-UHFFFAOYSA-N 430.410 5.928 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1 517462003 XYICAKCESNEFTQ-UZUQRXQVSA-N 436.577 6.550 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(OC2CCC(C)CC2)CC1 517470971 RWZSCSDQYRAQSW-UHFFFAOYSA-N 447.579 6.251 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)cc1Cl 519105228 FPCVWYDGRBAMBL-FCHUYYIVSA-N 447.897 5.126 30 20 IKED C=CCn1c(SCc2nc(-c3ccoc3)no2)nc2scc(-c3ccccc3)c2c1=O 519244553 ARGGHBAPQKTVGG-UHFFFAOYSA-N 448.529 5.246 30 20 IKED CCCN(Cc1ccccc1Br)C(=O)Nc1ccccc1S[C@H](C)CC#N 520198058 YXGHQTPFPOVVLT-MRXNPFEDSA-N 446.414 6.287 30 20 IKED COc1ccccc1N1CC[C@@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 520941186 FPJDKQZYCJHOOJ-FQEVSTJZSA-N 442.519 5.007 30 20 IKED Cc1cccc(-n2ncc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c2C(F)(F)F)c1 521733251 CBDYWEWLKSUWNW-HNNXBMFYSA-N 444.482 5.704 30 20 IKED Cc1c(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)sc2nc(C(F)(F)F)ccc12 521768980 LDIQUVJNHPFYRY-LBPRGKRZSA-N 444.265 5.925 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCSC[C@H]3c3ccccc3)c2)cc1 522429958 GQGCFQRZINRBML-VWLOTQADSA-N 443.572 5.654 30 20 IKED C=CCN(Cc1ccccc1)C(=O)NC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 522766114 CFAASNOKDKHCPK-GGAORHGYSA-N 445.529 5.486 30 20 IKED N#CC1(C(=O)Nc2ncc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)s2)CCC1 522984901 USTMTGCGMHPVHK-UHFFFAOYSA-N 433.377 5.404 30 20 IKED CCc1nc(COc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cc2)no1 523796806 COYAGTXGLYJALT-IBGZPJMESA-N 444.516 5.133 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccccc1O[C@H](C)c1ccccc1 524551484 JODSVNYAADTPNS-LJQANCHMSA-N 432.495 5.119 30 20 IKED CC(C)(C)[S@@](=O)Cc1cccc(NCc2cccc(OCc3ccccc3C#N)c2)c1 532898200 XRMRKJQBBIOWLS-HKBQPEDESA-N 432.589 5.797 30 20 IKED C=C[C@H](CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1)c1ccccc1 534000617 QUZNLDOSWKYRPS-HXUWFJFHSA-N 434.561 5.403 30 20 IKED Cc1ccnc(-n2nccc2NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1 534152230 GTRJNLZOFTWABS-UHFFFAOYSA-N 429.867 5.145 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccccc2O[C@H]2CCOC2)cc1Cl 534887895 OIUNIHCOYIRAAC-SFHVURJKSA-N 434.879 5.424 30 20 IKED C=CCN(C(=O)[C@H]1CCC(=O)[C@H](C)C1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 538194576 LSMDSBJIWVJHIN-GCJKJVERSA-N 430.573 6.001 30 20 IKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc(-c3cccs3)nc21 538547588 NMUPNDVVOMUBGJ-OAHLLOKOSA-N 443.557 5.840 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC1CCN(c2ccncc2)CC1 540131713 RGBBUICEFMSGRM-UHFFFAOYSA-N 441.535 5.092 30 20 IKED O=C(Nc1ccccc1OCC(F)(F)F)c1cc(OC(F)F)cc(OC(F)F)c1 540465952 GFMNTWAKQWZQQD-UHFFFAOYSA-N 427.272 5.083 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(C)s2)nc2scc(-c3cccs3)c2c1=O 541409593 YRDFLJMLZTXJIQ-JTQLQIEISA-N 432.621 5.386 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccnc(SCC(F)(F)F)c3)n2)cc1 541717550 BCDZXYIXMYOAFS-OAHLLOKOSA-N 433.480 5.658 30 20 IKED CCCCCC(=O)NC1CCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 543016715 KUWYCGNSSJFGNO-FQEVSTJZSA-N 446.595 5.157 30 20 IKED Cc1ccc(C2CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)CC2)cn1 543063760 OQHFOMHENSEMGW-UHFFFAOYSA-N 433.600 5.003 30 20 IKED C[C@@H]1C[C@@H](CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCO1 544247638 HJPRDXLHEUTGNI-SJORKVTESA-N 427.932 5.117 30 20 IKED CC(C)C(=O)c1ccc([C@H](C)C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 549007038 NYTNOMBBSQXCLJ-FNZWTVRRSA-N 440.543 5.589 30 20 IKED Cc1c(C(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)sc2ccc(C#N)cc12 551684096 DTRUROSFCPNEEO-UHFFFAOYSA-N 433.920 5.961 30 20 IKED Cc1c(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)sc2ccc(C#N)cc12 555652351 WHUFHKMFLZFXGY-GOSISDBHSA-N 441.350 5.058 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(Cl)cc(F)c1Br 555879698 NAENULIHLIQWIC-JTQLQIEISA-N 427.726 5.746 30 20 IKED O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 558190136 LPNUXLOAJKFDDA-HSZRJFAPSA-N 426.520 5.496 30 20 IKED C[C@H](NC(=O)NC[C@H]1CCO[C@H]1c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 565795600 PCGAUKOBZPRJBP-YZYNAAERSA-N 425.532 5.363 30 20 IKED O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 569033015 YOTIYCNRPUKQKA-DHIUTWEWSA-N 442.519 5.080 30 20 IKED N#CC[C@H](Cc1nc(-c2cc(Br)cc(C(F)(F)F)c2)no1)c1ccccc1 573605271 OPNZNYVEKNEEGN-CYBMUJFWSA-N 436.231 5.758 30 20 IKED C=C(C)COc1cccc(NC(=O)CCc2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)c1 589553131 VVSNOVRUTRSFAA-OAHLLOKOSA-N 437.565 5.048 30 20 IKED Cc1nc(CSc2ccccc2C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cs1 592974198 OXICHNCWOUBQSK-INIZCTEOSA-N 439.562 5.983 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 603527619 XCYZARDZOYWZJO-UHFFFAOYSA-N 443.494 5.680 30 20 IKED CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 603657721 HBZLWCGNOPQQJR-UHFFFAOYSA-N 449.558 6.004 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)cn2)cc1 603961519 AEHSKJMXBOVXPP-UHFFFAOYSA-N 436.427 5.042 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 604103012 PRNWFLGNEVMIIG-UHFFFAOYSA-N 429.867 5.350 30 20 IKED CCCN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@@H](CC)c1ccccc1 604507550 RXWUCNRPEWOSLT-QHCPKHFHSA-N 442.519 5.074 30 20 IKED Cc1csc(-c2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2)n1 607009326 IIIULEGPAVPJFV-LJQANCHMSA-N 426.526 5.604 30 20 IKED C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(OCC(F)(F)F)cc1 608805732 CYTAFHAPTBFESC-OAHLLOKOSA-N 444.409 5.162 30 20 IKED Cn1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C2CCCCC2)n1 608847508 NMXJXJGFSWCSOU-NRFANRHFSA-N 432.955 6.029 30 20 IKED CCOCCOc1ccc(Cl)cc1NC(=O)c1occc1COc1cccc(C#N)c1 609103708 UPVAXUGWBFHZIP-UHFFFAOYSA-N 440.883 5.051 30 20 IKED COc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1OC(F)F 609104356 DMORNWKUOIETEO-UHFFFAOYSA-N 442.393 5.139 30 20 IKED COc1ccc2oc(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)c(C)c2c1 609171825 DPWMVTQDQBMYOH-QHCPKHFHSA-N 426.472 5.324 30 20 IKED Cc1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)CC2 609323700 FTRXDBCNZRPJDJ-ISKFKSNPSA-N 443.934 5.046 30 20 IKED N#Cc1cccc(NC(=O)N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c1 609443259 SSZDUPRTQNURHP-DEOSSOPVSA-N 445.567 5.279 30 20 IKED N#C[C@@H](NC(=O)c1ccc2c(c1)nc(O)n2C1CCCC1)c1ccc(Cl)c(Cl)c1 609463525 BVYZOVQQVKICKO-GOSISDBHSA-N 429.307 5.158 30 20 IKED CCO[C@@H](C)c1nc(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cs1 609754929 PKKFIOCWYGQYSL-HNNXBMFYSA-N 439.512 5.012 30 20 IKED C=CCN(C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 610169418 YABXJBQKPJKDJF-AEFFLSMTSA-N 441.459 5.319 30 20 IKED C[C@@H](NC(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1)c1cccc(C#N)c1 610322169 KDQJGWBBZLUQPE-MRXNPFEDSA-N 432.911 5.371 30 20 IKED C[C@@]1(C#N)CCCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C4)C3)C1 612365875 MIRDUGOZWSWNIJ-LRQRPNIKSA-N 436.440 5.261 30 20 IKED CN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 612561993 RZAZYWQUFAKBSJ-GMAHTHKFSA-N 446.482 5.269 30 20 IKED N#C[C@@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)c1ccc2ccccc2n1 613292731 SNPLRGNYZSAVHY-OAQYLSRUSA-N 433.442 6.186 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)nc2sccc2c1=O 613440226 JQTJHIHRQCBOIA-HZPDHXFCSA-N 449.601 5.155 30 20 IKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1 614439730 FWEQEXDVFWNPQA-HXUWFJFHSA-N 434.455 5.179 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1nc(C(F)(F)F)cs1 618747008 JDWGBWPCWYVPAX-LLVKDONJSA-N 433.415 5.104 30 20 IKED C=CCn1c(Sc2ncnc3scc(-c4ccc(F)cc4)c23)nnc1-c1cccnc1 669623814 SDEWWEVLFSGNAT-UHFFFAOYSA-N 446.536 5.488 30 20 IKED C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](c2cc3ccccc3[nH]2)C1 669812535 SNTBWWAHIMVCLK-IBGZPJMESA-N 443.551 5.014 30 20 IKED C=CCN(C(=O)CCCc1ccc(Br)s1)c1nc2c(s1)CCCC2 673717837 LNGNWRABPKSXEU-UHFFFAOYSA-N 425.417 5.388 30 20 IKED CC(C)[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(Cl)cc1F 679765778 QVZUAYKVXSLRQH-MBNYWOFBSA-N 434.783 5.558 30 20 IKED N#CCOc1ccc(CNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1 727679630 IONPPDWGNADTRZ-UHFFFAOYSA-N 427.891 5.388 30 20 IKED C#Cc1cccc(NC(=S)N(Cc2cc(Br)ccc2OCC)C2CC2)c1 728791337 CSDXIECCTRWBTF-UHFFFAOYSA-N 429.383 5.191 30 20 IKED N#Cc1ccsc1NC(=O)COC(=O)[C@@H](Sc1ccccc1Cl)c1ccccc1 730330900 DEEMJHVQLQIBAX-IBGZPJMESA-N 442.949 5.288 30 20 IKED CSc1ccc(NC(=O)COC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1 730376436 XEJCUPYZYRGWIK-UHFFFAOYSA-N 436.464 5.007 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 731064853 YWRMZKJAKMKGOZ-INIZCTEOSA-N 447.560 5.094 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1ccccc1SCc1ccccc1)c1ccccc1 731601117 OWLQXNAUINVQFL-UHFFFAOYSA-N 443.572 5.644 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)NCc2ccc(Oc3ccccc3)cc2)ccc1OC 733649011 XOTWUHOGGWYZNE-NRFANRHFSA-N 445.519 5.168 30 20 IKED N#CCOc1ccc(Cl)cc1COc1ccccc1C(=O)NCCCc1ccccc1 735233320 RCWOBJZNUJUDRI-UHFFFAOYSA-N 434.923 5.184 30 20 IKED O=C(/C=C\c1csc(COc2ccc(Cl)cc2)n1)c1c(Cl)nc2ccccn12 737446624 YGMMFXIOIUBGLP-TWGQIWQCSA-N 430.316 5.573 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 739533473 DFBQXOPNRPITCR-IFMALSPDSA-N 435.524 5.291 30 20 IKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCc1nc(C(F)(F)F)cs1 740838025 YJJNHKFSQQVUKF-UPHRSURJSA-N 448.310 5.529 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(OCc2ccccc2)ccn1 742535691 BNMZLESJFNTLOK-UHFFFAOYSA-N 436.471 5.280 30 20 IKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2cc(Cl)cc(Cl)c2O)cc1 744807046 IFFQUMKZNUEEAF-UHFFFAOYSA-N 437.352 5.164 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2ccccc2Cl)n1)c1nc(-c2c(F)cccc2F)cs1 748007501 WUSABBDHXRWQMQ-LBPRGKRZSA-N 440.862 5.417 30 20 IKED CC[C@@H](C)n1c(SCC(=O)[C@@H](C#N)c2nc3ccccc3o2)nnc1-c1ccccc1 750396590 BNDVCEGNDFLQKI-NVXWUHKLSA-N 431.521 5.026 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)c(C)c2)cc1C#N 752196943 ZZBHXYFWPUNRPW-UHFFFAOYSA-N 438.484 5.034 30 20 IKED COCCCOc1cc(C)ccc1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 755776436 MQHDDMOZJIQWGE-RUZDIDTESA-N 443.547 5.388 30 20 IKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(C2CC(F)(F)C2)C1=O)Nc1ccccc1 757894090 HJNGBCQTFHFPMH-QGZVFWFLSA-N 449.910 5.098 30 20 IKED CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cnn(CCC#N)c1-c1ccccc1 759084915 YTERCGZUSSIQIB-RBUKOAKNSA-N 444.535 5.161 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CC[C@H]3CCN(C(=O)OC(C)(C)C)C3)n2)cc1 759213790 SXDQFSHZORKAOQ-PKOBYXMFSA-N 439.581 5.332 30 20 IKED C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl)c1cccc(C(=O)c2ccccc2)c1 762027548 YNKZTGJTMOPNES-UZLBHIALSA-N 430.891 5.022 30 20 IKED CC(C)(C)Sc1ccc(-c2noc(CCC(=O)N(CCC#N)c3ccccc3)n2)cc1 762348773 RHELCZZZWKYNFD-UHFFFAOYSA-N 434.565 5.507 30 20 IKED CCc1cccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 762445696 XARSFPAYBCXUBJ-UHFFFAOYSA-O 442.608 6.029 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2c(C)cc(Cl)c3ccccc23)ccc1OC 765349540 NMPVFQKQBGDHOQ-QGZVFWFLSA-N 437.927 5.813 30 20 IKED CC(C)c1ccc(N2Cc3ccc(NC(=O)N(CCC#N)Cc4ccccn4)cc3C2)cc1 772589510 KKHQWGQPKFALOM-UHFFFAOYSA-N 439.563 5.673 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NCc1ccc(OCC#N)cc1 772958878 IGJZMHIGHQTZPQ-CQSZACIVSA-N 442.382 5.634 30 20 IKED Cc1cc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C)s1 783356583 QXSHPGCEQZZZMQ-KRWDZBQOSA-N 428.966 5.981 30 20 IKED CC(=NOCc1csc(C(C)(C)C)n1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 784051524 ZKWYVCCCHZAYBI-UHFFFAOYSA-N 437.491 5.289 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CC[C@H](c4cccc(C(F)(F)F)c4)C3)cc2)nc1 784528709 PFMQAGUTTPVAQE-IBGZPJMESA-N 437.421 5.394 30 20 IKED N#Cc1ccc(NC(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)c(Cl)c1 785876165 GQOBOWJOYRSDFI-UHFFFAOYSA-N 431.923 5.394 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc3nc(-c4ccccc4)oc3c2)cc1Cl 796628311 AXERWJPOTKYRMO-QGZVFWFLSA-N 445.862 5.118 30 20 IKED CCOc1ccc(-n2c(SCCO[C@H](C)C#N)nnc2-c2cccc(Cl)c2)cc1 801654007 OZRWQKVKTHAXQT-OAHLLOKOSA-N 428.945 5.007 30 20 IKED O=C(Nc1ncc(C(F)(F)F)s1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 801753151 XTKSDVYREUGGNK-ZMONIFLSSA-N 429.308 5.193 30 20 IKED N#CC1(OCCOC(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)CCOCC1 809083330 WPRNLPDTZXKDQS-UHFFFAOYSA-N 436.291 5.032 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NCc3cc(Cl)cc(Cl)c3O)cc2)ccn1 810283661 WHFHVGSBJUWBOE-UHFFFAOYSA-N 429.263 5.080 30 20 IKED O=C(c1ccccc1SCc1cscn1)N(O)Cc1cc(Cl)cc(Cl)c1 901379683 BXUXSYGFNFGKND-UHFFFAOYSA-N 425.362 5.774 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2ccco2)C1=O)Nc1ccccc1 916209271 IISUEALPKIUOAT-IBGZPJMESA-N 439.924 5.094 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C 916925798 TVEACIWEXGAKIM-XMSQKQJNSA-N 429.520 5.074 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnn(Cc3ccccc3Cl)c2)cc1 916956030 XHFDIJSVOVHWMH-IERDGZPVSA-N 434.927 5.059 30 20 IKED COc1ccc(S[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916976566 SNUQJWPIOUKVCI-ACJLOTCBSA-N 428.966 5.829 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1nc2ccccc2n1C(F)F 917039639 BICFEAZOBZLMIB-FQEVSTJZSA-N 443.453 5.938 30 20 IKED CCOc1ccccc1OCCCC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042085 BMUNQDNEWNBBHQ-OAHLLOKOSA-N 448.466 5.749 30 20 IKED CCn1c(-c2ccccc2)c(C(=O)CON=C2CCC3(CC2)OCCO3)c2ccccc21 917403883 WRDRJYSDQOFIGR-UHFFFAOYSA-N 432.520 5.201 30 20 IKED C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c1=S 917431885 HQAOUOPDPBXOKU-HXUWFJFHSA-N 445.592 5.169 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccccc1SCc1ccccc1 918470431 KCECESIYWVNKEJ-UHFFFAOYSA-N 434.536 5.271 30 20 IKED Fc1ccccc1-c1nn(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(=S)o1 918735567 OYDFQMWKEWNECL-UWVGGRQHSA-N 429.361 5.032 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c(-c4cccc(OC)c4)c3)cc2)CCC1 1787037460 ODQCQZJIZBOZOK-UHFFFAOYSA-N 429.520 5.014 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4nn(C)cc4c3)CCC2)cc1 1789457925 GQDGYLPSVVCBHV-HSZRJFAPSA-N 442.563 5.089 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@@H]4c4ccccc4)cc3)CCC2)c1 1791532922 JCSDXABJFLMVBH-RPBOFIJWSA-N 435.527 5.110 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2cccc(C)c2)[C@@H]1c1cccnc1 1802490310 DRRWKFRKJQYUOX-AZGAKELHSA-N 447.623 5.021 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cccc4cc(C)[nH]c34)CC2)C1 1805456686 DMTIFPZKWFSCBR-UHFFFAOYSA-N 433.596 5.090 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(CCC)cc2)[C@@H]1c1cccnc1 1812029351 IMFGYRWPQQGLHQ-DQEYMECFSA-N 447.623 5.346 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)CCCCC)[C@H]1c1cccnc1 1812695149 FLOQXBAJLIPLHB-MSNJVRRCSA-N 425.617 5.072 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2C2CC2)[nH]n1 1814829503 FHROLDJHCUIHQD-QHCPKHFHSA-N 432.568 5.361 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1814938435 NXDSOVBSWFRMNX-KNQAVFIVSA-N 428.964 5.071 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCC3CCCC3)n[nH]2)c1 1816694080 GFOCKEHPRUYHTL-MBSDFSHPSA-N 447.583 5.313 30 20 IKED Cc1ccc(-c2ccccc2C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](C)S)[nH]n2)cc1 1821225918 RCANRBQEUHYQTG-VGSWGCGISA-N 448.592 5.009 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C)c2F)CC1 1823902978 GDMIVCVPAKHOQD-GMAHTHKFSA-N 426.576 5.136 30 20 IKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](S)C(C)C)CC1 1824538445 UFNJGLVKMIGCQJ-UNMCSNQZSA-N 448.673 5.073 30 20 IKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](S)C(C)C)CC1 1825947695 TWISZUPUAWNHBC-UNMCSNQZSA-N 448.673 5.073 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3sccc3c2O)CC1 1830959008 LXUUZLSDQMXVKU-UTKZUKDTSA-N 440.609 5.052 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(C)(C)C)oc2C)CC1 1832029138 ULODDTMJQMFMBM-QHCPKHFHSA-N 440.628 5.312 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)ccc2OC)CC1 1832596498 CNHRUFKTORLHEQ-JOCHJYFZSA-N 444.591 5.060 30 20 IKED CC1=CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)CC1 1832632452 QZGDUHPSNUTMNN-VIICAESSSA-N 447.623 5.293 30 20 IKED N#Cc1ccsc1NC(=O)CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1 9099330 YVQDXWLSFRJDOG-UHFFFAOYSA-N 428.589 5.531 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccccc2)cc1 10170735 NHAIUWCQPZHZIK-UHFFFAOYSA-O 445.652 7.052 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2ccccc2F)cc1 11170319 KXJQOBHTCBSJST-UHFFFAOYSA-O 435.588 6.024 30 20 IKED CCc1ccccc1N(C(C)=O)c1nc(COC(=O)/C=C/c2ccccc2C#N)cs1 11541702 WDDZSXNZGDNNFA-OUKQBFOZSA-N 431.517 5.018 30 20 IKED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CSc1c(Cl)cccc1Cl 14933338 TZVDBLZWXUAXSW-UHFFFAOYSA-N 426.369 5.051 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1CC(C)C 20077948 JYXLLYODQGBEAE-UHFFFAOYSA-N 428.583 5.203 30 20 IKED N#Cc1ccc(CN2CCCN(C(=O)c3ccccc3SCc3cccs3)CC2)cc1 28690875 HUSDLIYMEYAOAB-UHFFFAOYSA-N 447.629 5.260 30 20 IKED CC(=O)c1cccc(OCCCC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1 58693901 NFLFWJAXBOOVKG-UHFFFAOYSA-N 430.529 5.386 30 20 IKED C=CCN(CCc1ccccc1)C(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 62399392 PSTSHCXAYVSKIN-UHFFFAOYSA-N 431.511 5.018 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 62903455 NQIJMOPNDFKWTQ-UHFFFAOYSA-N 444.844 5.245 30 20 IKED CN(C)C(=O)c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1Cl 64313349 WGSDLDKBUOUCQL-UHFFFAOYSA-N 449.963 5.458 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc(Br)cc3Cl)c2)c1 71957952 VHJHSDGVJZRHQC-UHFFFAOYSA-N 441.712 5.805 30 20 IKED C=CCn1c(SCC(=O)c2ccc(C(C)(C)C)cc2)nnc1[C@@H]1COc2ccccc2O1 115027451 MGLJFDMWTDXKSS-QFIPXVFZSA-N 449.576 5.249 30 20 IKED O=C1/C(=C\c2cnc(-c3ccccc3)nc2)CCC/C1=C\c1cnc(-c2ccccc2)nc1 207186008 JFCUIWDVMKOWGE-WJVNUPORSA-N 430.511 5.821 30 20 IKED Cc1occc1-c1nnc(SCC(=O)Nc2cc(Cl)ccc2C#N)n1-c1ccccc1 248041573 UACDMMLAXVTEGW-UHFFFAOYSA-N 449.923 5.092 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(NC[C@@H]4CCCO4)c(F)c3)c2)cc1 303750502 AEIVDXRAGUEXPR-QHCPKHFHSA-N 445.494 5.120 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1 429368152 DAWZNCGCQRCHON-SNVBAGLBSA-N 439.396 7.006 30 20 IKED CCn1c(NC(=O)c2c(-c3cccc(Cl)c3Cl)noc2C)nc2cc(C#N)ccc21 430795444 VIQNKPJPXWBVMZ-UHFFFAOYSA-N 440.290 5.450 30 20 IKED Cc1csc(Sc2ccc(NC(=O)N[C@@H](CCCC#N)c3ccccc3)c(C)c2)n1 432838420 AGOCHNMJNVAZIY-NRFANRHFSA-N 436.606 6.468 30 20 IKED Cn1c(COc2ccccc2)nnc1SCCC(C#N)(c1ccccc1)c1ccccc1 434650468 NEJJYPQBAHFMJN-UHFFFAOYSA-N 440.572 5.386 30 20 IKED C[C@H](NC(=O)NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(-c2cccc(C#N)c2)cc1 436350221 UIXIYOHOOAAYPJ-JFJYTDJESA-N 445.485 5.069 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)NCc2cc(C#N)ccc2F)c1C 438498889 FAOOJYOMRBVZPA-UHFFFAOYSA-N 432.286 5.128 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@H](c3ccccc3F)C2)cc1F 438655302 LOFQYQFDQLHBAV-QHCPKHFHSA-N 435.430 5.234 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C[C@H](c2ccccc2)O1 438666453 QNSNKVKJDPNEIP-MZNJEOGPSA-N 431.467 5.484 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1ccc2[nH]c(C)cc2c1)c1ccc(C(F)(F)F)cc1 442056857 MYIJJRHBKUFXKH-IBGZPJMESA-N 429.442 5.257 30 20 IKED O=C(Nc1cccc(C(F)F)c1)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444827374 JVOMIHWOFXAGKV-AWEZNQCLSA-N 426.307 6.458 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2cc(-c3ccccc3Cl)on2)c1C#N 445570169 DFMPMYRKJASJKA-UHFFFAOYSA-N 435.896 5.027 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCc2[nH]c3ccccc3c2C1 460923954 DTOOJPUBVQUVCL-QGZVFWFLSA-N 431.515 5.177 30 20 IKED C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 460953234 SVADRFHEICQKLS-BJLXPSRBSA-N 443.016 5.033 30 20 IKED C[C@@H](CC#N)N(C)c1nnc(COc2ccccc2-c2ccccc2)n1Cc1cccs1 461519584 MSXJTZQZPQIDPK-IBGZPJMESA-N 443.576 5.372 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)c1cc(-c2cccc(C#N)c2)no1 468812414 CFOPUKNEGGYSEL-INIZCTEOSA-N 428.517 5.478 30 20 IKED N#CCCCn1cc(C(=O)N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)c2ccccc21 469528823 JIDOTVSCXZVLFP-MUUNZHRXSA-N 440.591 5.073 30 20 IKED N#Cc1cc(NC(=O)c2ccc(Cl)cc2Br)ccc1OCC(F)(F)F 471226950 NXNZLGXKUYKDQE-UHFFFAOYSA-N 433.611 5.168 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cc3c(cc2F)NC(=O)CC3)cc1 477085969 LNHHGQPWCSTTOZ-UHFFFAOYSA-N 431.492 5.127 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCc3coc(-c4cccs4)n3)cc2F)c1 481593136 CZQYVUCLCPKYCI-UHFFFAOYSA-N 448.479 5.315 30 20 IKED CCc1c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cnn1-c1ccccc1Cl 482803419 YBDWQHAUIDGOFC-UHFFFAOYSA-N 443.894 5.399 30 20 IKED CC(C)CN(C(=O)NC1CCC(Oc2ccccc2C#N)CC1)[C@@H]1CCCc2cccnc21 483012224 KWZVTXPCUSADLG-KXTRFFEISA-N 446.595 5.388 30 20 IKED Cc1cc(-c2cc(C(=O)[C@@H](C#N)c3cnc4ccccc4n3)c3c(C)noc3n2)c(C)s1 483238345 XACIZEAFWMIWPV-KRWDZBQOSA-N 439.500 5.310 30 20 IKED CCc1c(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cnn1-c1ccccc1Cl 485353130 FKHHVTGEBNHKIN-PGRDOPGGSA-N 433.943 5.392 30 20 IKED Cc1ccccc1CN(Cc1ccccn1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 486211363 ACZCGVJNZOIOFV-UHFFFAOYSA-N 434.499 5.292 30 20 IKED COc1cc(C)c(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1OC 502310161 CEFWVJJFQLLKAD-UHFFFAOYSA-N 431.492 5.301 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 503134580 ANDQLIZKTJKISC-UHFFFAOYSA-N 444.388 5.567 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 503477667 DTLURPIIGAEMHY-UHFFFAOYSA-N 449.530 5.039 30 20 IKED C=CCCc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 504283711 HQGLMZHBGQRHHH-UHFFFAOYSA-N 439.309 5.665 30 20 IKED COc1ccccc1C1(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CCCCC1 505409373 OOWWQZMYRNPKSC-UHFFFAOYSA-N 445.563 5.119 30 20 IKED N#C[C@H](NC(=O)CCc1nc2cc(Br)ccc2s1)c1ccccc1Cl 505701295 WFSXJBAHGQRDOP-HNNXBMFYSA-N 434.746 5.026 30 20 IKED N#C[C@H](NC(=O)c1ccccc1SCc1cccs1)c1cccc(Br)c1 506536922 DNYBQUIZOVRYCJ-SFHVURJKSA-N 443.391 5.798 30 20 IKED COC(=O)c1c(NC(=O)N(C)CCC#N)sc(C)c1-c1ccc(Cl)cc1Cl 506966339 KFDRLJBMLACPBF-UHFFFAOYSA-N 426.325 5.194 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2cc(Cl)ccc2F)cc1 507808020 AQINGGCKYJUUPG-CQSZACIVSA-N 439.874 5.591 30 20 IKED N#Cc1cccc(F)c1CC(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 508536502 ZOWWMQCELYTYKC-UHFFFAOYSA-N 447.897 5.011 30 20 IKED CCN(C(=O)c1sc(COc2ccc(Cl)cc2)nc1C)[C@H](C)c1ccc(C#N)cc1 509560043 NDZICQCPXZDLDW-MRXNPFEDSA-N 439.968 5.779 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](c1ccco1)N1CCCCC1 510330097 CRYRJKMKDAYWFU-DEOSSOPVSA-N 444.535 5.601 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N(Cc3c(F)cccc3F)C3CCCC3)CC2)c(F)c1 511208017 IMNMEACFVRHLQP-UHFFFAOYSA-N 441.497 5.163 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(C)nn(-c4ccc(F)cc4)c3C)n2)cc1 512505532 ZEQIYRVNUBDNFL-FQEVSTJZSA-N 446.507 5.250 30 20 IKED C[C@@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)C(=O)Nc1ccc(F)cc1F 512766493 HMFKZDJKMOHWKL-GFCCVEGCSA-N 425.460 5.099 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1Cl 514515167 JDTWAJCEWWIXED-SIKLNZKXSA-N 443.934 5.525 30 20 IKED CC(C)CN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)Cc1ccc(C#N)cc1 519908592 GBQMPNRNCTWSHB-JOCHJYFZSA-N 446.576 5.049 30 20 IKED CC(C)(CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)Oc1ccccc1 522300849 ODCGHSKXHUALKD-UHFFFAOYSA-N 429.520 5.311 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(OCCc4ccccc4)CC3)cc2)cc1 522655461 MVKWPLZYSTWSJI-UHFFFAOYSA-N 441.531 5.606 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@H](Cc4ccc(F)cc4)C3)c2)cc1 523015887 LIQSDDCYZYDTLL-JOCHJYFZSA-N 443.522 5.567 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@@H](C)c2cc3ccccc3s2)n(Cc2ccco2)c1C 526944562 TXONJYDKHOSVEZ-INIZCTEOSA-N 432.549 5.122 30 20 IKED Cc1cnccc1N1CCC(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 531442581 MNDHARXENHQGDE-HSZRJFAPSA-N 444.966 5.554 30 20 IKED C=C[C@@H](CC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1)c1ccccc1 533886383 BJSVVMMBMRKRCS-MMTVBGGISA-N 427.544 5.538 30 20 IKED N#Cc1ccccc1COc1cccc(CNc2cccc3c2CN(c2nccs2)C3)c1 534610199 IVYCOXJBCZENPV-UHFFFAOYSA-N 438.556 5.726 30 20 IKED Cc1c(C#N)c(NC(=O)CCN[C@@H](C)c2c(F)cccc2Cl)n(Cc2ccco2)c1C 537175135 UDSUDKSXKKELME-HNNXBMFYSA-N 442.922 5.090 30 20 IKED Cc1c(NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)cccc1OCC(F)(F)F 537193647 UXUCPLMDPJNXMY-UHFFFAOYSA-N 441.299 5.391 30 20 IKED Fc1cccc(F)c1-c1nc(CN[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)co1 539421615 PQKDUPLJKFDALC-INIZCTEOSA-N 436.302 6.032 30 20 IKED CC1(C)CC[C@@H]2C[C@@H](NC(=O)C(=O)Nc3ccccc3SCCC#N)c3cccc1c32 539585130 SLFDUWFSFDQTCG-OXQOHEQNSA-N 433.577 5.047 30 20 IKED Cc1nn(-c2ccc(Br)cc2)c(NC(=O)c2ccc(C#N)c(Cl)c2)c1C 548617570 FPVJDVZBUNMERW-UHFFFAOYSA-N 429.705 5.029 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2nc[nH]n2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 551773880 XTQJPHBKCOIBCP-HNNXBMFYSA-N 440.315 5.392 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1csc([C@@H](C)OCC)n1 555247408 JUOJGVXPWFUWRC-OAHLLOKOSA-N 431.993 5.365 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(c3ccc4cc(C#N)ccc4n3)C2)n1 556082047 KGRLNCPDGAFAMI-IBGZPJMESA-N 426.545 5.623 30 20 IKED CC[C@H](C)c1ccc(NC(=O)Cc2noc(-c3cn(CCCC#N)c4ccccc34)n2)cc1 566704364 DDGCFQGNRRJPHT-SFHVURJKSA-N 441.535 5.690 30 20 IKED N#Cc1ccc(Oc2ccc(N3C(=O)[C@H]4c5ccccc5CCN4C3=O)cc2Cl)cc1 568429379 QJENUCFEFXXPRR-JOCHJYFZSA-N 429.863 5.070 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3nccc(C(F)F)n3)cc2Cl)cc1 573120803 GHUVFFYMGCLIHS-UHFFFAOYSA-N 429.814 5.053 30 20 IKED Cc1sc([C@H](C)NCc2nnc(-c3cccc(C#N)c3)o2)nc1-c1ccc(Cl)cc1 574082652 VGQUYHXXCUETTD-ZDUSSCGKSA-N 435.940 5.544 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)CCc3nnc(-c4ccc(Cl)cc4)o3)cc2)ccn1 574446303 DCCUPRCBQDOGRD-UHFFFAOYSA-N 445.866 5.020 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NCc3ccccc3N3CCCCC3)cc2)ccn1 582696454 JSIRHAZDWYAXLI-UHFFFAOYSA-N 427.508 5.058 30 20 IKED COCCC[C@H](c1ccc(Cl)cc1)c1noc([C@H]2CCCN2c2ccc(C#N)cc2)n1 586757807 IKJPFFGMNYACPH-FGZHOGPDSA-N 436.943 5.495 30 20 IKED COc1ccc(C(NCc2ccc(C#N)cc2C(F)(F)F)c2ccc(OC)cc2)cc1 589504056 YXMJFRVDTWREHJ-UHFFFAOYSA-N 426.438 5.473 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CC2 603522127 NWENNQREBSUCJK-HMMYKYKNSA-N 435.552 5.927 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 603615419 YPXZWUDDDAFCRC-GFCCVEGCSA-N 425.554 5.492 30 20 IKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cnn1-c1ccc(F)cc1 603766011 JDEQOYYBANSMEN-JOCHJYFZSA-N 444.897 5.881 30 20 IKED CC(C)(C)n1nc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1C1CC1 603923434 JAXVYRBQRCYEQO-UHFFFAOYSA-N 428.536 5.413 30 20 IKED C[C@H]1CN(c2ccccc2NC(=O)c2ccc(OCc3ccccc3C#N)cc2)C[C@H](C)O1 603985549 RYXPUBLRPPVKBO-PMACEKPBSA-N 441.531 5.003 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(OCc4cccnc4)c3)cc2)c1 609064048 RAGNYXTXHZUGGF-UHFFFAOYSA-N 435.483 5.364 30 20 IKED N#C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc(OCc2ccccc2)cc1 609172195 RUFZXSCHRKCTHX-NRFANRHFSA-N 443.484 5.383 30 20 IKED COc1ccc(CCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1Br 609378156 XWPZHUYFIHCSSO-AWEZNQCLSA-N 433.371 5.281 30 20 IKED Cc1ccc(F)cc1NC(=O)[C@@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 609387280 WFMDVLTZDVJWND-CYBMUJFWSA-N 425.451 5.598 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 609398492 XDUFIOOCNPXPFO-AGIUHOORSA-N 439.425 5.533 30 20 IKED Cc1ccc(C(=O)N[C@@H](C#N)c2ccccc2Br)cc1NC(=O)c1ccccc1 609589990 ZBLVXRPIHHVAAF-NRFANRHFSA-N 448.320 5.005 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 610325814 PWHRCFPRYLNDBG-QGZVFWFLSA-N 437.565 5.644 30 20 IKED Cc1ccc(-c2csc3ncnc(SCC(=O)N[C@H](C)c4cccc(C#N)c4)c23)cc1 610361276 XMHODGYFKWYDST-MRXNPFEDSA-N 444.585 5.508 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC2(CC1)OCc1ccccc12 610746766 JSQCFBRNUZSZCR-UHFFFAOYSA-N 426.541 5.371 30 20 IKED O=C(CCOc1ccc(F)cc1Cl)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 611829195 MIDPTHHHJUPMPD-IAZYJMLFSA-N 435.767 5.274 30 20 IKED Cc1cccc(-n2nnc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2C)c1 614386164 VGLRVVVQSDRLRO-SFHVURJKSA-N 433.924 5.151 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)N[C@@H]1CCc2cc(C#N)ccc21 618807059 SPJDRUNAGWFWBD-ZUOKHONESA-N 438.394 6.091 30 20 IKED C[C@]1(C#N)CCCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2ccccc2)C1 619819090 DFINVHWWLBAPOX-HSZRJFAPSA-N 438.000 5.402 30 20 IKED CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 642282213 UZTSKWIGRBCEDQ-OAHLLOKOSA-N 431.439 5.400 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)cc(Br)c1 642545680 AXDAPHRUWCGMSK-GDGBQDQQSA-N 436.165 5.228 30 20 IKED COc1cc2c(cc1F)CC[C@@H]2NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 670108207 KMDKPJKIQKQCJU-HFAKWTLXSA-N 442.375 5.030 30 20 IKED CN(Cc1ccc(F)c(Cl)c1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 683374339 HENVQVYHNGRJEH-GDNZZTSVSA-N 434.783 5.530 30 20 IKED Cc1cc2sc(NC(=O)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)nc2cc1F 684701652 JQUGFYJPHLHJFA-DTORHVGOSA-N 429.361 5.338 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(s2)-c2ccccc2C(C)(C)C3)cc1 726858016 DNGDPNQWQIWOMO-IBGZPJMESA-N 430.529 5.219 30 20 IKED CC(=O)Nc1ccc(-c2csc(=Nc3cccc(NC(C)=O)c3)n2CCCCC#N)cc1 728776335 PQYVYQBOHPKRSL-UHFFFAOYSA-N 447.564 5.060 30 20 IKED Cc1ccsc1C(=O)Nc1ccc(OC(=O)[C@H](Oc2ccccc2C#N)C(C)C)cc1 729215181 GBOPXXVSHMHYQD-OAQYLSRUSA-N 434.517 5.190 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl 730686986 KRMZNUDLIUTHQL-LIRRHRJNSA-N 431.363 5.644 30 20 IKED Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 731066590 XYWVHCXMWGFCEC-QGZVFWFLSA-N 447.560 5.141 30 20 IKED Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc12 731332240 HEIRLPFEJPMENO-MRXNPFEDSA-N 427.533 5.376 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(CC2CC2)C(=O)N[C@@H]1c1cnc(C(C)(C)C)s1 731429639 HIZGDDDEARLKKC-LJQANCHMSA-N 427.545 5.056 30 20 IKED COc1cc(C(=O)/C=C/c2ncc(-c3cccc(Br)c3)[nH]2)ccc1OC(F)F 731936751 CDFYLFADMBBTAZ-SOFGYWHQSA-N 449.251 5.345 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc2nc(C(F)F)[nH]c2c1 732494818 NZZRTRGQNDXUAJ-MRXNPFEDSA-N 446.413 5.254 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)/C=C(\C)c2ccc(C(F)(F)F)cc2)ccc1OC 733231146 ZFNIPZCJLHSWDZ-LSSBLYJVSA-N 432.442 5.115 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2ccccc2OCc2ccc(F)cc2)ccc1OC 733231830 JLBVSIHQXXAUFF-OAQYLSRUSA-N 448.494 5.024 30 20 IKED N#C[C@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1ccccc1Br 733267272 VLXGKDQQSJHHCE-KRWDZBQOSA-N 433.396 5.312 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)OCc2ccc(OCc3ccncc3)cc2)o1 733455491 DCYGFQXDCVAWBS-UHFFFAOYSA-N 440.455 5.061 30 20 IKED N#C[C@@H](C(=O)CSCc1ccc(Br)cc1)c1nc(-c2ccncc2)cs1 734081020 DAVLZRYPTDMJCH-INIZCTEOSA-N 444.379 5.077 30 20 IKED CCOc1cc(/C=C\C(=O)c2cnccn2)cc(Br)c1OCc1ccccc1 734751747 XOOAVIFETRYZAR-HJWRWDBZSA-N 439.309 5.113 30 20 IKED O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)s1)c1ccc(S(=O)(=O)C(F)F)cc1 735232420 NNZNGYQHSWZKCE-UXBLZVDNSA-N 449.456 5.216 30 20 IKED Cc1cccc(C)c1OCc1nn(CN(CCC#N)C(C)C)c(=S)n1-c1ccccc1 739842199 XWYFQFJFVCBXKS-UHFFFAOYSA-N 435.597 5.181 30 20 IKED CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 742537695 NPTGPYPDYXJWPY-QFIPXVFZSA-N 429.495 5.718 30 20 IKED Cc1cc(C(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)c(C)n1-c1ccc(C#N)cc1 742943232 NAZGXDKFRLWQCC-OAHLLOKOSA-N 445.910 5.160 30 20 IKED COc1ccc(/C=C\C(=O)c2cc3cc(Br)ccc3o2)cc1OCCCC#N 747361776 XKBDMWBIAMAPFL-DAXSKMNVSA-N 440.293 5.783 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)Nc2cccc(OCC#N)c2)nc1-c1ccccc1 748936527 KGTDZGJXACBPPO-NRFANRHFSA-N 430.508 5.736 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1ccnn1C1CCCCC1)c1ccc(C(F)(F)F)cc1 750290930 FWUXGTQNYZVVAE-IBGZPJMESA-N 448.489 5.169 30 20 IKED COc1ccc(/C=C2\CCc3sc(Br)cc3C2=O)cc1OCCCC#N 754687283 LMCPLCBEGLWZAT-GXDHUFHOSA-N 432.339 5.414 30 20 IKED CC[C@H](C#N)Oc1cccc(CNCc2c(C(C)C)nn(Cc3ccccc3)c2Cl)c1 754828958 IVXWEIVSQQOKPU-OAQYLSRUSA-N 436.987 5.679 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CC(=O)Nc1nc(-c2cccc(C#N)c2)cs1 756022127 XRKIWALMAXFSNT-UHFFFAOYSA-N 434.521 5.210 30 20 IKED C#CC[C@@H](NC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1)c1ccccc1 757777100 FMJRNRGSOUHIPS-HSZRJFAPSA-N 449.913 5.295 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(-c2ccccc2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 768127778 RWLXRPVTEHBFDU-LJQANCHMSA-N 440.528 5.189 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCc1cc(=O)oc2c(C)c(C)ccc12 768406857 LIWKRABAKTWPDV-UHFFFAOYSA-N 433.533 5.059 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2CCCC[C@H]2c2ccc(F)cc2F)c1=S 769854637 UXJWOYZQDHFXJI-FQEVSTJZSA-N 427.524 5.125 30 20 IKED C=CC[C@H]1N(C(=O)Nc2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)CCCC1(C)C 770733326 UEFJWVNDNUHDEA-HXUWFJFHSA-N 445.608 5.054 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(Cl)cc1)c1nc2ccccc2o1 779197193 WNWQAUAFEDZJLT-DWIQEWEKSA-N 447.922 5.131 30 20 IKED Cc1ccc(C(C)C)c(OCCC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1 780302709 QRKFEKPGWXSDTG-GOSISDBHSA-N 449.576 5.353 30 20 IKED CCOC(=O)N(C)c1ccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 782563238 NDLHWTNBELVFAM-GOSISDBHSA-N 442.519 5.701 30 20 IKED N#C[C@H](C(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)c1nc2cc(Cl)ccc2s1 782581978 BPAGTDPXJPPGAD-LJQANCHMSA-N 445.931 5.223 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3ccccc3n2CC(F)(F)F)cc1 786316972 UKLYGCGIHGJYPV-BEFAXECRSA-N 441.453 5.678 30 20 IKED O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 790650907 KDBUWYGDDJPOIR-WJOKGBTCSA-N 441.474 5.145 30 20 IKED CCn1c(SCC(=O)[C@H](C#N)c2nccc3ccccc23)nnc1-c1ccc(Cl)cc1 792097875 YTMGOPHRIYUCNJ-IBGZPJMESA-N 447.951 5.135 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CCC(c3cccc(Cl)c3)CC2)c1=S 794682228 GRYNIKARYPPJCG-UHFFFAOYSA-N 425.989 5.153 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 795685697 BTSYTOKRORQLPI-UHFFFAOYSA-N 427.423 5.080 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(-c2cccc3cccnc23)cc1 796796478 FBRQZUVQGKFXIM-VWLOTQADSA-N 441.490 6.016 30 20 IKED COC(=O)c1cccc(CNc2ccc(OC(F)F)c(-c3ccc(OC)cc3)c2)c1C#N 797853893 NIGWZVKGHOCAAY-UHFFFAOYSA-N 438.430 5.234 30 20 IKED CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[C@H](C#N)c1nc2ccccc2s1 805845459 VWYIKUPHFORCNM-PXNSSMCTSA-N 449.576 5.765 30 20 IKED N#CCCCOc1cccnc1NC(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 806431249 QHQHSUQDXPRQIA-QFIPXVFZSA-N 430.508 5.074 30 20 IKED C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1Cc2ccc(Br)cc2C1 809881607 HKSCSLPKLSIPSR-CQSZACIVSA-N 443.320 5.026 30 20 IKED O=C(/C=C\c1cccc(NC(=O)C(F)(F)F)c1)c1ccc(-c2ccc(C(=O)O)o2)cc1 810237463 SSVFLCHNKGKRLQ-WTKPLQERSA-N 429.350 5.042 30 20 IKED CC(C)OCc1cc(N=Cc2cc(Br)cc(Br)c2O)ccc1O 811624392 CCWUPTKFOVSVHU-UHFFFAOYSA-N 443.135 5.298 30 20 IKED CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)c3ccccc3-c3ccccc3C#N)CC2)C1 817209156 JEKGUOZHNQHYSQ-UHFFFAOYSA-N 445.563 5.088 30 20 IKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2sc3cccc(Cl)c3c2Cl)n1 913330837 GDYUEDLHLKQRLF-SECBINFHSA-N 425.318 5.006 30 20 IKED CC(C)n1ncc2cc(/C=C\C(=O)c3ccc(-c4ccc(C(=O)O)o4)cc3)c(Cl)nc21 913617476 CPWCSAAIZZNDRC-FPLPWBNLSA-N 435.867 5.520 30 20 IKED Cc1ccc(C)c(SCc2nc(=O)c3c(C)c(C(=O)OCCCCC#N)sc3[nH]2)c1 914598092 XXGUVCWLDAVLOB-UHFFFAOYSA-N 441.578 5.053 30 20 IKED CN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccccc2F)n(Cc2ccccc2)c1=S 914782985 BMGNMFNCDHRRST-UHFFFAOYSA-N 443.551 5.230 30 20 IKED Cc1cc(CSc2ncccc2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)no1 915086781 WSWXQZICRRUPFS-QHCPKHFHSA-N 440.528 5.578 30 20 IKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915087531 UYAVTSBSPYUWQA-CYFREDJKSA-N 443.572 5.349 30 20 IKED N#CCOc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1 916409773 OISKDFCPWSBEBJ-UHFFFAOYSA-N 428.879 5.347 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 916909777 UWEMJQKEFNAJOS-DYVFJYSZSA-N 433.335 5.233 30 20 IKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 916942153 GWPBDMAEATZTOQ-CQSZACIVSA-N 434.260 5.077 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc3nc(C(F)(F)F)ccc3c2C)cc1 917426774 PSYLDYVYSJBLTN-OAHLLOKOSA-N 431.439 5.147 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2Br)o1)c1ccc2ccccc2n1 920106380 OUHOZSDWNNEVGK-QGZVFWFLSA-N 446.304 5.461 30 20 IKED Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920140315 BLJYWTHPVQSKBY-UWJYYQICSA-N 429.545 5.757 30 20 IKED COc1cc(NC(=O)c2ccccc2)c(OC)cc1N=Cc1cc(Cl)cc(Cl)c1O 920942138 NIVCTFAPJUSJJR-UHFFFAOYSA-N 445.302 5.719 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3c(C)nc4ccccn34)cc2)CCC1 1788927195 JGIFGRIUXYCSSD-UHFFFAOYSA-N 444.579 5.383 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)/C(C)=C/c3ccc(C)o3)cc2)CCC1 1789585351 KURNPIKUUVQKDJ-FOCLMDBBSA-N 428.479 5.337 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4sccc4F)CCC3)cc2)cc1 1790705269 PLKOXTNYDKWQHK-UHFFFAOYSA-N 433.508 5.015 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1csc(-c2ccccc2)n1 1797174156 PASOQSNLPSNUJY-ACDBMABISA-N 437.609 5.054 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)[nH]n1 1821923721 NQHWMGVBCSEWHN-SUMWQHHRSA-N 435.355 5.235 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)cc2F)CC1 1823753192 GNAAIWWDEYVQRE-HSZRJFAPSA-N 446.582 5.119 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)c2ccc(Cl)cc2)CC1 1823978061 TZMJIIINYSXKDC-YDHSSHFGSA-N 431.020 5.275 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cccc(C)c3[nH]2)CC1 1824142470 RQMHDFLNAPPGEE-RUZDIDTESA-N 447.623 5.478 30 20 IKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2csc3c2CCCC3)CC1 1828572625 RZVRITNDFUGTBC-QHCPKHFHSA-N 440.653 5.054 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 25725756 CHIVATGDHSPHCF-UHFFFAOYSA-N 439.496 5.372 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1ccco1 28503992 TVGKZIBDXGZSBG-QGZVFWFLSA-N 446.532 5.636 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCc1nn(-c2ccc(F)cc2)c2c1CCC2 64368407 SHUBMJGJTDVTTI-UHFFFAOYSA-N 445.567 5.161 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1ccccc1OCc1cccc(Br)c1 64456728 LABJSHKASCVTLU-UHFFFAOYSA-N 437.293 5.161 30 20 IKED CSc1nc(C(C)C)nc(C)c1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 97297256 TZONXHRLINSAJG-UHFFFAOYSA-N 432.549 5.333 30 20 IKED N#Cc1ccc(CSCC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 107761232 QAMYMIMWTIFWON-HSZRJFAPSA-N 425.557 5.221 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)cc1OC 302897632 PYHDOQLGODUXBR-UHFFFAOYSA-N 432.307 5.064 30 20 IKED Cc1nc2cc(C(=O)Nc3cc(C#N)ccc3OC(F)F)ccc2n1Cc1ccsc1 409518402 CTILNDKUUKXUMS-UHFFFAOYSA-N 438.459 5.180 30 20 IKED COc1cc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)ccc1C(F)(F)F 426927544 VLHLFMHBNCXGEH-UHFFFAOYSA-N 447.310 5.310 30 20 IKED CCCOc1ccc(C(F)(F)F)cc1NC(=O)CCCC(=O)Nc1ccccc1C#N 432580554 UEAWFEHPQILQRB-UHFFFAOYSA-N 433.430 5.113 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccccc1 432995315 WVQSQZWDSGPISC-QFIPXVFZSA-N 428.467 6.046 30 20 IKED O=C(c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 434038617 VFLKRWWECLAXKZ-FZKQIMNGSA-N 449.366 5.287 30 20 IKED N#CC1(c2ccccc2)CCC(Nc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)CC1 437036988 MNZRBAROUVUPAP-UHFFFAOYSA-N 427.470 5.344 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1cnc2ccsc2c1 437220513 WDXQRHIUSFIFNU-UHFFFAOYSA-N 437.521 5.011 30 20 IKED Cc1c(-c2ccccc2)sc(NC(=O)c2cc(C#N)cs2)c1C(=O)N1CCCCC1 437402828 ICHGZFGUUIJRGF-UHFFFAOYSA-N 435.574 5.535 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCOC[C@@H]2c2ccccc2)cc1Cl 437774859 MZGJAERZUUIXHM-ISKFKSNPSA-N 431.923 5.601 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H](C)Oc1cccc(Br)c1 438042782 RVOOOEVLZRMRCW-GJZGRUSLSA-N 448.386 5.290 30 20 IKED N#CCC[C@H](NC(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1)c1ccccc1 439308342 ULEXDFKTPQHWPB-QFIPXVFZSA-N 429.476 5.161 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)c1 439351076 NNKVIQACOAOQJA-UHFFFAOYSA-N 446.551 5.010 30 20 IKED C[C@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)Nc1cccc2ncccc12 439645930 KCPNJQCGPLISEC-INIZCTEOSA-N 426.451 5.477 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1ccc2oc(CC)nc2c1)c1ccc(C(F)(F)F)cc1 442086700 YKQMZUNRVUVDAF-QGZVFWFLSA-N 445.441 5.171 30 20 IKED Cc1cc2c(Br)ccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c2o1 443529816 HTFWSTNHTCSBFO-ZDUSSCGKSA-N 444.235 5.739 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N2C(=O)N[C@H](c3ccc4ccccc4c3)C2=O)cc1 445954127 YCFXQSHFMKTSAE-RUZDIDTESA-N 449.466 5.310 30 20 IKED COc1cc(C#N)ccc1OCC(=O)Nc1ccc(Cl)cc1-c1ccccc1Cl 447626520 LWVZAUBDHSLGLN-UHFFFAOYSA-N 427.287 5.558 30 20 IKED CN(Cc1ccccc1NCCOc1cccc(C#N)c1)C(=O)c1cc2ccccc2o1 462233300 OCVDGSWCUAOTMP-UHFFFAOYSA-N 425.488 5.068 30 20 IKED CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 462440949 NJZOILUDIACHDM-OAQYLSRUSA-N 443.503 5.447 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)CCc3cccc(C(F)(F)F)c3)s2)cc1 463636902 ULMYMHJTWVBKQW-UHFFFAOYSA-N 448.495 5.292 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 464400735 AJVVYMYAUKPIJN-JTQLQIEISA-N 427.860 5.737 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 464944386 XBWYDLNUJNHXCD-UYAOXDASSA-N 441.478 5.741 30 20 IKED C[C@]1(Cc2ccccc2)CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 467167504 CNUAVDROSSNSGM-MUUNZHRXSA-N 439.559 5.961 30 20 IKED O=C(Cc1cccc(C(F)F)c1)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 468405895 RRELAVAKCOEKGE-OAHLLOKOSA-N 425.319 5.995 30 20 IKED C[C@@H](c1nc2ccccc2n1C(F)F)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 470995867 QEDLDWJHUKJRAL-MGPUTAFESA-N 429.902 5.028 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(Cc3ccccc3)[C@@H](C)c3cccs3)C2)n1 471297598 KTUGLOKJPOKACC-NZQKXSOJSA-N 444.604 5.330 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2ccccc2Br)nnc1-c1ccoc1C 473797024 GLQNCZLOJGDDQH-ZDUSSCGKSA-N 432.343 5.159 30 20 IKED O=C1C[C@H](C(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c2ccc(F)cc2N1 474261435 ZHGFZGOLLHCLHW-HOCLYGCPSA-N 448.338 5.080 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](CC(=O)OC)c1ccc(SC)cc1 475559749 PVEAENYEEZECKO-OAQYLSRUSA-N 426.582 5.686 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cc2)cc1 477813890 FOTQUIHEVJSMHB-FQEVSTJZSA-N 442.425 5.780 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 480387246 FHQUSKIPWPKWKC-UHFFFAOYSA-N 447.410 5.134 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@H](CC)c2ccc(Cl)s2)nnc1-c1ccco1 482206704 GYDNNZIWSOGXSE-CYBMUJFWSA-N 436.990 5.189 30 20 IKED COc1cccc(Cn2ccc3ccc(NC(=O)N(CCC#N)Cc4ccco4)cc32)c1 484140353 XVHCYYKVWOTQQO-UHFFFAOYSA-N 428.492 5.239 30 20 IKED CC[C@H](C)n1ncc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C 485097793 XYXABXDKVKZOQQ-MGPUTAFESA-N 449.942 5.049 30 20 IKED C[C@@H](NC(=O)NCc1cc(COC(C)(C)C)on1)c1ccc(-c2cccc(C#N)c2)cc1 486313497 BTSGCKRAAHAGFS-QGZVFWFLSA-N 432.524 5.089 30 20 IKED C[C@@H](Sc1nnc(Cc2ccccc2)n1C1CCCCC1)C(=O)Nc1cccc(C#N)c1 489434417 SKBJKDBLTKHSSU-GOSISDBHSA-N 445.592 5.365 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1cccs1 489462324 KNHBZOFTSBBRHM-NSHDSACASA-N 439.393 5.619 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](Cc1ccccc1)c1cccs1 493573852 QWIMMZRPWRSAQU-FXAWDEMLSA-N 449.601 5.181 30 20 IKED CCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)[C@@H](C)c1ccc(C#N)cc1 497594022 ODVRXZRPSFVQIM-UWJYYQICSA-N 448.617 5.442 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)cc2)cc1 499416639 UGDGZHOYRLLRJF-JOCHJYFZSA-N 446.304 5.302 30 20 IKED CCCC(=O)Nc1cccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1C 502446440 XMXCOPWPWHWZQS-UHFFFAOYSA-N 427.504 5.437 30 20 IKED N#C[C@@H](C(=O)c1ccc2c(c1)nc(O)n2C1CCCC1)c1nc2ccccc2n1C(F)F 503447575 LBUBDLJKGOIEET-HNNXBMFYSA-N 435.434 5.092 30 20 IKED CC(C)(C)CC(=O)Nc1ccc(CC(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1 505923619 WOJYQMWEAOLOHG-IBGZPJMESA-N 431.458 5.004 30 20 IKED CC(C)CCn1c(SC[C@H](C#N)CCC#N)nc2sc3c(c2c1=O)CC[C@H](C)C3 508355603 QQRCDCUUAOIWGK-HOTGVXAUSA-N 428.627 5.165 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](c1ccccc1)c1nccs1 509227914 SKYNQHVHSNJIHQ-QHCPKHFHSA-N 440.528 6.027 30 20 IKED N#CCCCOc1cccc(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)c1 511802824 ULISDZQGJYBUGI-UHFFFAOYSA-N 445.466 5.693 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(Oc4cccc(C(F)(F)F)n4)cc3)CC2)c1 512961968 MYLHDKSGXYHPHY-UHFFFAOYSA-N 441.384 5.574 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Br)cc1Cl 513531437 UVXXSJSZVRKHPC-UHFFFAOYSA-N 425.758 5.490 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)C3CC3)c2)cc1Cl 514465882 LISBLQQAAQZZGJ-JOCHJYFZSA-N 429.907 5.596 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1csc(C2CCCCC2)n1 517460876 CNSRNZPZCOZBJL-INIZCTEOSA-N 445.679 6.457 30 20 IKED CSc1nccn1-c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 518516430 BPYAUMPWUUKSCC-IBGZPJMESA-N 441.541 5.079 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4cc(Br)ccc4o3)n2)cc1 518516525 ITFUIBZPEQZVHC-MRXNPFEDSA-N 448.301 5.681 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cccc(N2CCCC2=O)c1 520537069 ORGABNCJAFYSDX-SFHVURJKSA-N 440.503 5.360 30 20 IKED C=CCc1ccc(OCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(OC)c1 524459429 DNSDEGXJZINHQC-UHFFFAOYSA-N 446.478 5.031 30 20 IKED CCc1ccccc1N(C(C)=O)c1nc(CN(CC)[C@H](C)c2ccc(C#N)cc2)cs1 534486884 LRSGXPVTRBIMCF-GOSISDBHSA-N 432.593 5.845 30 20 IKED Cc1nn(C)c(C)c1CCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 538204621 IIWXCQFMGXMYBO-JOCHJYFZSA-N 435.959 5.100 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)c2ccc(C3(C#N)CC3)cc2)c1C 539621803 QUGXIVFXPHZENW-UHFFFAOYSA-N 425.319 5.603 30 20 IKED COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 544232837 DCLIXMYEEUXCKK-FTJBHMTQSA-N 439.559 6.259 30 20 IKED C[C@H](Cc1cnc2ccccc2n1)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 550453388 OVSZXVQUARRFOO-CQSZACIVSA-N 444.482 5.472 30 20 IKED Cc1noc([C@@H]2CCCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1 554169475 SROZKIWMEUJISM-IBGZPJMESA-N 437.887 5.455 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)CCCCc3nc4ccccc4s3)CC2)c(F)c1 560759189 UHFMSBSMISXUQS-UHFFFAOYSA-N 437.540 5.090 30 20 IKED C=CCN(C(=O)c1ccc2c(c1)nc(Cc1cccs1)n2C)c1nc2c(s1)CCCC2 561179957 XHVYFNMEWLPVER-UHFFFAOYSA-N 448.617 5.394 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NCCc3nc4cc(Cl)ccc4s3)cc2)ccn1 563293137 RONNPAADPSSYRU-UHFFFAOYSA-N 449.923 5.373 30 20 IKED N#Cc1cccc(COc2ccc(NS(=O)(=O)c3ccc(C(F)F)cc3)cc2F)c1 576970613 OICGKXFCUAXBRX-UHFFFAOYSA-N 432.423 5.015 30 20 IKED N#Cc1cc(Br)ccc1CN[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 579102097 RFHPPLHJYJRCGP-HNNXBMFYSA-N 435.190 5.315 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC2(CCC2)c2c(F)cccc21 586850746 HFMKDYXWCHINPR-VXGBXAGGSA-N 438.387 5.687 30 20 IKED O=C(N[C@H](c1ccc(F)cc1)C1CCC1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 591032582 CVICTXJEDTXFFB-DZKIICNBSA-N 426.376 5.439 30 20 IKED CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603690323 KIKKAPZCYPSOJX-UHFFFAOYSA-N 426.398 5.428 30 20 IKED N#C[C@H](C(=O)c1nc(-c2ccccc2)n2c1CCCCC2)c1nc(-c2ccncc2)cs1 604005466 QVPQJORZQRIVEA-LJQANCHMSA-N 439.544 5.285 30 20 IKED CCCCN(CCCC)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604150773 AMWMYGTXUJDBHU-NRFANRHFSA-N 425.960 5.363 30 20 IKED CCOc1ccc(Br)cc1NC(=O)c1occc1COc1cccc(C#N)c1 609065743 SAFBTJOCZLYZRQ-UHFFFAOYSA-N 441.281 5.144 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)c1oc2ccccc2c1CSc1ncccn1 609358545 WFUCYJPLCVQBNA-UHFFFAOYSA-N 431.521 5.196 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 609555682 BEKXTYYPKLRPNC-BHGTWAMESA-N 434.609 5.398 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1 609721764 RIVQSVJDDYNCHG-UHFFFAOYSA-N 448.567 5.530 30 20 IKED N#Cc1ccc(-n2nccc2NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 609724618 FIAFXWSJIKCYCS-UHFFFAOYSA-N 439.862 5.314 30 20 IKED C[C@]1(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCCN(C(=O)c2ccccc2)C1 610226139 MRZWGZDWPFKRAF-MHZLTWQESA-N 439.515 5.232 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N3C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)c2)cc1 610605446 AIDQNELWJKMQAN-IRXDYDNUSA-N 427.348 5.115 30 20 IKED N#C[C@@H](C(=O)c1cnc2c(cnn2Cc2ccccc2)c1)c1nc2cc(Cl)ccc2s1 613403275 NAUXRXGQIHVREN-SFHVURJKSA-N 443.919 5.233 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 616140708 NSVGUMZDAIYGMK-QGZVFWFLSA-N 441.984 5.834 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccc(OC(F)(F)F)cc1Br 618762878 ROCOVYFEBYBKGW-OAHLLOKOSA-N 440.219 5.028 30 20 IKED FC(F)(F)c1ccc(-c2nc(CN3C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)co2)cc1 677378681 QZHVUFILLRWILA-STQMWFEESA-N 432.286 5.533 30 20 IKED CC(C)Cn1ncc(NC(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)c1C(F)F 677672176 UMMABCMFBORZAE-UHFFFAOYSA-N 426.336 5.775 30 20 IKED C=CCn1c(S[C@@H](C(=O)NCc2ccccc2)c2ccccc2)nnc1-c1ccoc1C 677843894 OLUQSMXLJJQKIM-JOCHJYFZSA-N 444.560 5.182 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1ccc(Br)o1 730996778 ZTUXICXIRYEIKN-QPJJXVBHSA-N 445.260 5.719 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1COc1ccc(Cl)cc1 731400749 SYCXZMGTUURHAX-FUHWJXTLSA-N 429.973 5.810 30 20 IKED N#C[C@@H](NC(=O)c1ccccc1COc1cccc(C=O)c1)c1ccc(Cl)c(Cl)c1 731645758 RXSKMNVRCQBHLZ-JOCHJYFZSA-N 439.298 5.380 30 20 IKED C[C@@H](Oc1ccc(F)cc1Cl)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 733681280 SILUEGAOVOAITM-BXKDBHETSA-N 442.821 5.751 30 20 IKED CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740482699 DCKUFUKUHCJUDV-UHFFFAOYSA-N 444.604 5.619 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](COCc3ccccc3)C2)cc1 743093312 RHUVENFEDFIJGQ-NVQXNPDNSA-N 425.532 5.413 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)c3ccc(Br)s3)n2)cc1 744032679 WBSNMCKKEAKATI-GXTWGEPZSA-N 431.380 5.923 30 20 IKED Cc1ccc2c(CCC(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c[nH]c2c1 745947807 NZEKMIIJHJYCBQ-QFIPXVFZSA-N 437.499 5.549 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(-c2ccncc2)cc1 746424654 FHQIFZWVNPRTGG-NFQMXDRXSA-N 432.527 6.287 30 20 IKED COc1ccc(/C=C(\C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cc1F 747155252 TUAORWVBGWEMHK-UYRXBGFRSA-N 437.898 6.010 30 20 IKED C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 749583527 MMYDSFQGEJBFIL-AIGMYPEUSA-N 438.575 5.374 30 20 IKED CC[C@@H](C)n1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1ccccc1 749753204 YIKYFUCXIJSVHJ-WOJBJXKFSA-N 447.608 5.652 30 20 IKED COc1ccc(C(=O)/C=C\c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)cc1NC(C)=O 752238274 QDUZWEDFQVZQNT-WQLSENKSSA-N 432.432 5.250 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC(c2cccc(F)c2)CC1 752855829 MYONIKMQCRAKQK-HUUCEWRRSA-N 440.403 5.624 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](c2ccccc2F)C2CCCC2)ccc1OC 756029704 DSCPNDFNOZILKL-NTKDMRAZSA-N 439.531 5.246 30 20 IKED O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ncc(Br)s1 756846240 HJAOTISUCGXQTJ-CMDGGOBGSA-N 437.322 5.049 30 20 IKED CC[C@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC[C@@H]1NC(=O)OC(C)(C)C 757329011 UXUMQCJRDFPJEP-CVDCTZTESA-N 448.567 5.067 30 20 IKED Cc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(O[C@H]2CCOC2)c1 758535492 MVOVVVBQVPNFGK-LOSJGSFVSA-N 441.531 5.140 30 20 IKED C=CCn1c(-c2cccc(Cl)c2)nn(CNC2(c3nc(C)cs3)CCC2)c1=S 764112705 KGDCBTPIFALRCM-UHFFFAOYSA-N 432.018 5.312 30 20 IKED COC(=O)c1coc(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1 766502733 PXDIVJLKNSUGJQ-VMPITWQZSA-N 444.270 5.521 30 20 IKED C[C@@H](c1ccccc1)N1CC(=O)N(c2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1=O 771819625 QPKIIOXLJKBSPD-JTSKRJEESA-N 429.907 5.525 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c1 772619203 HYEYAMROGPFJDC-KDOFPFPSSA-N 443.828 5.263 30 20 IKED C=CCC[C@H](C(=O)O[C@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 778559888 XWNBQDMEFQYUDZ-YPMHNXCESA-N 427.369 5.002 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccnc(SC(C)(C)C)c1 778863098 JMIAJKJLFLUXNU-HNNXBMFYSA-N 443.594 5.019 30 20 IKED C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(F)cc2OCC#N)cc1 785220631 CJTZBNWQKOBQIO-INIZCTEOSA-N 449.507 5.159 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccc(Cl)cc1Cl 787052447 ZAHLKNVYQZIFGJ-BLLLJJGKSA-N 447.366 5.022 30 20 IKED C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 790207299 FGOYZNXLTMNUOT-SFHVURJKSA-N 440.503 5.092 30 20 IKED C[C@H](Cc1cncc2ccccc12)C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 805856027 QNTLYQCOWIUXLY-XCLFUZPHSA-N 426.303 5.068 30 20 IKED COc1cc(OC)cc(Oc2cccc(CNC(=O)Nc3ccccc3O[C@H](C)C#N)c2)c1 806400698 KPLSTVRRUITILY-QGZVFWFLSA-N 447.491 5.109 30 20 IKED N#C[C@H](C(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1)c1cc(C(F)(F)F)ccn1 813214139 TWBLDZVHPFXNFK-RXVVDRJESA-N 430.426 5.949 30 20 IKED N#Cc1cc(C(=O)Oc2ccccc2-c2nc3ccccc3s2)cnc1C(F)(F)F 815905747 ZCRBQLUMQSNZMF-UHFFFAOYSA-N 425.391 5.468 30 20 IKED COc1cccc(/C=C\c2ccc(OC(=O)CCc3c(C)nn(CCC#N)c3C)cc2)c1 816408207 CWCVTPXXZPUQBF-HJWRWDBZSA-N 429.520 5.131 30 20 IKED CN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1cccc(C#Cc2ccccn2)c1 880594812 GXULAMVVZYATAF-UHFFFAOYSA-N 437.524 5.072 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1 915352421 IGKINDMYDYRSSS-VXKWHMMOSA-N 433.964 6.354 30 20 IKED COC(=O)c1ccc(-c2ccc(/C=C3/SC(=Nc4c(C)cccc4C)NC3=O)o2)cc1 915849033 OIKGFMULZZEIDL-DEDYPNTBSA-N 432.501 5.242 30 20 IKED Cc1sc2nc(CS[C@@H](C)C(=O)[C@@H](C#N)c3ccc4ccccc4n3)nc(O)c2c1C 916848640 FZWGGKCPVSAESQ-HOCLYGCPSA-N 448.573 5.060 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 916906486 UFZBOBQCBMUNRK-QFIPXVFZSA-N 449.510 5.800 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl 916922879 JHYIWYGGNZNXKZ-VSGCLNPGSA-N 436.817 5.118 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccc(OC)cc2)c(C)s1 916926301 XNGBPQORSXIWOT-IBGZPJMESA-N 434.517 5.092 30 20 IKED N#C[C@@H](C(=O)COc1ccc(Cl)c(Cl)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 916946093 KAWNOSFIZDYQOO-ZDUSSCGKSA-N 432.090 5.027 30 20 IKED CCOc1cc2c(cc1/C=C/C(=O)[C@H](C#N)c1nc3ccccc3n1C(F)F)O[C@H](C)C2 917041646 VYOOCUIEEZGHPI-KPBXEYHCSA-N 437.446 5.043 30 20 IKED Cc1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c(Br)c1 917047174 SQIAZQLZLPTXNP-WCQYABFASA-N 449.757 5.664 30 20 IKED CS(=O)(=O)c1ccc(/C=C/C(=O)c2ccc(-c3ccccc3Br)s2)cc1 918156950 YBEIYGIUBIDGLM-DHZHZOJOSA-N 447.375 5.477 30 20 IKED C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1ccc(C(F)(F)F)cc1 920108782 AKRQQRAPVBGFDJ-XHDPSFHLSA-N 426.797 5.339 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)/C=C/c2cc(C)n(C3CCCCC3)c2C)n1 920328022 SPIUXGBYDWWSTC-GNISGLHKSA-N 425.554 5.133 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(C)=O)cc3)CCC2)cc1 1785842060 HNQJLZFPJDVCRY-UHFFFAOYSA-N 447.579 5.385 30 20 IKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)CCC4CCCC4)CCC3)cc2)cc1 1785880337 CQGQAOUESYIDKF-UHFFFAOYSA-N 429.564 5.205 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cccc4c3cnn4C)cc2)CCC1 1789086548 IBBWYLHDCCHFOG-UHFFFAOYSA-N 442.563 5.089 30 20 IKED CC[C@H]1CC[C@H](C(=O)NC2(c3ccc(NC(=O)[C@@H](C)ON=C(C)C)cc3)CCC2)CC1 1790569679 HOMNYMALHBUYLO-VAMGGRTRSA-N 427.589 5.138 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1ccc(C)cc1 1796468755 WBKWXKZTWNMHFL-UEQSERJNSA-N 443.591 5.077 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C23CCC(CC2)CC3)[C@@H]1c1cccnc1 1810501887 DKUXWYHBMNFBJS-GOKFZAQWSA-N 437.628 5.050 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C3CC3)cc2)[nH]n1 1814828873 VWJPFCJIQIKVMT-QHCPKHFHSA-N 432.568 5.361 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)n[nH]1 1820505189 NXJCATZRSWYPFN-SCLBCKFNSA-N 435.355 5.235 30 20 IKED CC1(C)CCC(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)CC1 1820548642 JZQIOYNDWLAIIH-JOCHJYFZSA-N 447.583 5.194 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2ccco2)CC1 1823755079 KULJWVKJNBJETI-NFBKMPQASA-N 428.617 5.070 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccn(C)c23)CC1 1828277862 BJODPUIMLFRESB-UKILVPOCSA-N 447.623 5.180 30 20 IKED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1C1CCCC1 8988948 ZPTFSQBSSAWHAU-QRQCRPRQSA-N 446.020 5.249 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(C)cc2)cc1 10173210 PPWUYIXUQPNUDH-UHFFFAOYSA-O 448.656 6.192 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(CC)cc2)cc1 10173576 QRQOMGHPUPINMK-UHFFFAOYSA-O 443.636 6.029 30 20 IKED C=CCn1c(SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)nc2ccccc21 11650826 JYLIRYSDVSBSJN-UHFFFAOYSA-N 430.558 5.480 30 20 IKED Cc1ccc(-c2nnc(SCCC(=O)Nc3sc4c(c3C#N)CCCC4)o2)cc1C 14045054 KYWXJFZZPQUCNQ-UHFFFAOYSA-N 438.578 5.286 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2nc3cc(Cl)cnc3[nH]2)n(C2CCCCC2)c1C 16663801 CQUWBFUQJRLVHJ-UHFFFAOYSA-N 442.976 5.137 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)nnc1-c1ccc(F)cc1 24014940 HIAAUZXNRSZNPE-YJBOKZPZSA-N 442.585 5.176 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1 63761070 OMXWICPVGUTFPI-UHFFFAOYSA-N 441.556 5.339 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1noc(-c2ccccc2)n1 96983031 LHQBJHHUJUGQOW-UHFFFAOYSA-N 439.928 5.039 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3cccs3)C[C@@H]3CCCO3)cc2)cc1 303030483 NRFALPMBXBUYQA-QFIPXVFZSA-N 433.533 5.625 30 20 IKED CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ncc(C#N)cc2Cl)cc1 431581222 YEGMLDIGQMGSTJ-UHFFFAOYSA-N 428.275 5.703 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H](CCc1ccccc1)c1ccccc1 432720434 QTCUGJKZDHPMFJ-VWLOTQADSA-N 425.532 5.157 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCC(c3nc(-c4ccccc4OC)no3)CC2)c1 433492167 DETZISAICZEKSK-UHFFFAOYSA-N 448.523 5.112 30 20 IKED CCC(C)(C)OCc1cccc(NC(=O)C(=O)Nc2ccccc2SCCC#N)c1C 441851776 UYBGWMIOWNQZPY-UHFFFAOYSA-N 439.581 5.283 30 20 IKED COC(=O)c1ccc(C(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(F)c1 444442362 WFMGYERAQPJPID-HNNXBMFYSA-N 437.311 5.055 30 20 IKED CC[C@H](c1ccccc1)N1CC(=O)N(c2ccc(Oc3ccc(C#N)cc3OC)cc2)C1=O 445946895 OQJTUDMLDKZKQQ-JOCHJYFZSA-N 441.487 5.279 30 20 IKED Fc1ccccc1-n1ccc(CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)n1 445984714 CHRSOSFVXLJGCM-QGZVFWFLSA-N 431.355 5.814 30 20 IKED CCCc1ccc([C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2Cl)c2cccs2)cc1 447266797 YFHQHIZLDUCGLQ-OAQYLSRUSA-N 437.952 5.070 30 20 IKED C[C@@H](C(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)c1cccc(C#N)c1 463259493 PDQKRDCNKRZSDT-QRQCRPRQSA-N 448.448 5.463 30 20 IKED CC[C@@H](C)Sc1ccc(NS(=O)(=O)c2ccc(C#N)cc2OC)c(C(F)(F)F)c1 464410028 LVEUXBSOXKCZEP-GFCCVEGCSA-N 444.500 5.277 30 20 IKED Cc1nc(C)n(Cc2cccc(NC(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)c2)n1 464741931 QXSVISUGKOPALJ-UHFFFAOYSA-N 437.503 5.168 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)cc1C 465462574 FGDJQCMVQZSBPA-NRFANRHFSA-N 449.558 5.634 30 20 IKED COCc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)o1 467346737 MFMZCGXIWLGYSX-FQEVSTJZSA-N 435.455 5.598 30 20 IKED COCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cnn1-c1ccccc1 467837928 FWWOLZIYQIBROG-GOSISDBHSA-N 448.935 5.286 30 20 IKED C[C@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)c1cccc(F)c1 469085697 TYVNVVCOACAWFY-MRXNPFEDSA-N 434.442 5.263 30 20 IKED CCc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)o1 470535642 GVVUKPIBZLCDHO-QHCPKHFHSA-N 448.567 5.574 30 20 IKED C[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C1(c2ccccc2)CCCC1 470536286 DDHPSGMYABRNSF-FQEVSTJZSA-N 444.579 5.292 30 20 IKED Cc1cccc([C@H](NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C(F)(F)F)c1 470557536 YTKRZOYZFQZPMB-NRFANRHFSA-N 444.457 5.003 30 20 IKED N#Cc1ccc(-c2nnc(CNc3ccc(C(=O)N4CCC[C@@H]4c4ccccc4)cc3)o2)cc1 471671553 OKZUVRCYHJZUEU-XMMPIXPASA-N 449.514 5.198 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 476125785 ANWZHKAFHJBCQL-KRWDZBQOSA-N 441.369 5.293 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 483331782 UEOYBDMDVHDSMN-BKULYWANSA-N 448.636 5.599 30 20 IKED C[C@H](NCc1cccc(OCCCC#N)c1)c1nc(-c2ccc(Br)cc2)no1 483660984 ZTINGHAOZSIEGB-HNNXBMFYSA-N 441.329 5.032 30 20 IKED Cc1ccc(NC(=O)NCC(C)(C)CCC#N)cc1Oc1ncccc1Br 483849107 SXXRTVUTAUGCBK-UHFFFAOYSA-N 431.334 5.396 30 20 IKED CC(C)(C#N)c1ccc(C(=O)Nc2c(Br)cc(F)cc2Br)cc1 484045363 BOXLXROYKIRDDM-UHFFFAOYSA-N 440.110 5.404 30 20 IKED C=CCN(CC1CCCCC1)C(=O)Nc1cccc(NC(=O)CCN2CCCCC2)c1 485434921 LMWUHKKAEBJSJD-UHFFFAOYSA-N 426.605 5.101 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nc(C(F)(F)F)cs1 486614266 FMXDPCTVQZBTCB-LLVKDONJSA-N 435.402 5.456 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@@H](CN3CCCCCC3)C2)cc1 487811470 WCEFVVDJBDQIDM-DEOSSOPVSA-N 447.648 5.579 30 20 IKED Cc1ccc(-c2nc(CC(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)cs2)cc1 487906638 HERUCDRPJQUYHT-UHFFFAOYSA-N 429.467 5.124 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2cccc(Cl)c2)o1 488471104 AHAOINKESLKSQF-ZDUSSCGKSA-N 444.969 5.373 30 20 IKED CCC(C)(C)OCc1cccc(NC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)c1C 488879531 KJGFIVNNUFIZBE-NRFANRHFSA-N 434.584 5.130 30 20 IKED C=CCC(C)(C)CNC(=O)CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1 490087460 IYBWINLMIJOXPU-UHFFFAOYSA-N 444.988 5.050 30 20 IKED COc1cccc(C(NCc2cc(C#N)ccc2Br)c2cccc(OC)c2)c1 492608196 PIPVKBMGMKFKSP-UHFFFAOYSA-N 437.337 5.217 30 20 IKED COc1ccc(C#N)cc1NC(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1 494130667 DFVHSZSWJLYHLR-NRFANRHFSA-N 437.293 5.088 30 20 IKED N#C[C@@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(Br)cc1 499424185 UQVPHOOWUAPWCE-CYBMUJFWSA-N 440.149 5.965 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnc2c(cnn2CC(C)C)c1 500775044 ZGQZUBQUWUDYIM-UHFFFAOYSA-N 425.492 5.312 30 20 IKED CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 501105411 CITLLMXJMYNZHR-UHFFFAOYSA-N 441.579 5.707 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1ccc(CCC(F)(F)F)cc1 501836387 JUUXKFLGBJNZNO-UHFFFAOYSA-N 425.300 5.637 30 20 IKED COc1cc(CCC(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCC(F)(F)F 504363764 WJYMQQZKMVJJHQ-UHFFFAOYSA-N 438.471 5.020 30 20 IKED Cc1sc2ncnc(SCC(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)c2c1C 505917683 TVETXILEFNBKKI-CQSZACIVSA-N 437.377 5.088 30 20 IKED CC[C@@H]1c2ccsc2CCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510223332 ODFHWHFMIDGXLD-MRXNPFEDSA-N 441.607 5.305 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 510537848 JWGSAETULQGLKO-GOSISDBHSA-N 438.491 5.122 30 20 IKED C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 511411937 HHHPMRZNNYCDIU-NNGSBXSVSA-N 447.366 5.353 30 20 IKED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 512524994 YGVFKKBNTDTEDM-UHFFFAOYSA-N 427.426 6.113 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H](C)c2cc(F)ccc2OC)cc1OCC 512817694 WGODMIMYGNVLPZ-AWEZNQCLSA-N 438.337 5.411 30 20 IKED N#C[C@@H](C(=O)c1ccc2c(c1)oc1ccccc12)c1nc(O)c2c3c(sc2n1)CCCC3 513753602 DMHHYLGBCMAYMY-KRWDZBQOSA-N 439.496 5.665 30 20 IKED C=CCn1c(SCc2nnc(-c3cccc(Cl)c3)o2)nc2sc(C)c(C)c2c1=O 518039352 UTDXPOPFXILGKV-UHFFFAOYSA-N 444.969 5.257 30 20 IKED C=CCn1c(-c2cc(-c3ccccc3)nc3ccccc23)nnc1N1CCC2(CCO2)CC1 519002770 RTXZARDCEIKVDF-UHFFFAOYSA-N 437.547 5.106 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1n[nH]c(CCC2CCCC2)n1 519413281 MQFBZUKNSLWPQO-HNNXBMFYSA-N 429.615 5.053 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 519880036 YCNYSXXMILCKIH-VWLOTQADSA-N 434.543 5.569 30 20 IKED C=CCOc1c(Br)cc(CNC[C@H]2CCN(c3ccccc3)C2)cc1OCC 520206782 LWLUQVFWVDXFFI-GOSISDBHSA-N 445.401 5.029 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(Cl)ccc3OCC(F)(F)F)cc2)nc1 521086866 ANCWQGSLAJDPRG-UHFFFAOYSA-N 447.800 5.592 30 20 IKED COc1ccc(OC(C)C)c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 521654585 NJKZOOMUCOPTGE-UHFFFAOYSA-N 447.510 5.727 30 20 IKED Cc1nc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)sc1SCC#N 522634885 ONXVPMMAQTVKOM-UHFFFAOYSA-N 440.937 5.637 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)[nH]c12 524031660 MFQLDSKOMUDZKB-CQSZACIVSA-N 434.908 5.329 30 20 IKED Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CCc2c(C)nn(CCC#N)c2C)c(C)c1 524054367 JEDYTRYREFFARI-UHFFFAOYSA-N 446.599 5.085 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCc2c(Br)cccc21 524566663 XXGBQYVXSRNMBK-CXAGYDPISA-N 430.371 5.510 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1(c2cccs2)CCCCC1 525325124 USVZFRZGXSNWIM-KRWDZBQOSA-N 441.622 5.099 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)CCc3nnc(-c4ccc(Cl)cc4)o3)c2C#N)C1 531888602 IJMVDKHVTQQQOP-GFCCVEGCSA-N 426.929 5.019 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)Cc2nc3ccccc3s2)cc1C 532184602 DAZKUTWFKNETIV-GOSISDBHSA-N 443.576 5.051 30 20 IKED COc1cc(CNCc2ccc(-c3ccccc3C#N)cc2)ccc1OCc1ccncc1 536888650 CNVVGCDNRJLKPK-UHFFFAOYSA-N 435.527 5.498 30 20 IKED C[C@@H](NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)c1nc(C(C)(C)C)cs1 541101494 PQHKFRDACXANRL-GFCCVEGCSA-N 428.949 5.034 30 20 IKED COc1cc(NC(=O)CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(OC)cc1Cl 542947960 OWNSQRIRRQRWLJ-INIZCTEOSA-N 449.938 5.185 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](c2ccccc2C)C1 549253066 YFHZGXFTSPCGLP-WMZHIEFXSA-N 436.531 5.020 30 20 IKED Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 551412775 RGQWZGBVOSXYST-UHFFFAOYSA-N 445.475 5.070 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)C1(c2cccc(C#N)c2)CC1 551790735 GLRASKAQIOOQHS-UHFFFAOYSA-N 426.360 5.286 30 20 IKED C[C@H](OCCCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1ccccc1 560996764 WTWVCNBVICQPOZ-IBGZPJMESA-N 439.987 5.102 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCCC[C@@H]3c3nnc(C4CCC4)o3)c2)cc1 575160619 NKQZVWJZFYRBJM-HSZRJFAPSA-N 442.519 5.155 30 20 IKED N#Cc1ccc([C@H]2Nc3ccc(Cl)cc3C(=O)N2c2ccncc2)c(C(F)(F)F)c1 575794835 CHBFNUAHXQVDLI-IBGZPJMESA-N 428.801 5.397 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@@H]3C[C@H]3c3ccc(OC(F)F)cc3)cc2)ccn1 577329690 WUMCJEPMQJXHJK-LEWJYISDSA-N 436.418 5.025 30 20 IKED N#Cc1c(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)sc2c1-c1ccccc1CC2 603992399 VZYBQIYWDXMWPJ-UHFFFAOYSA-N 447.947 5.418 30 20 IKED COCc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)oc2ccccc12 604004092 UKNGYADUNMBXKZ-UHFFFAOYSA-N 426.472 5.477 30 20 IKED C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 604016053 FSSXBNCAAGZQAF-QGZVFWFLSA-N 447.535 5.060 30 20 IKED Cc1nn(-c2ccccc2)c2nc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)ccc12 604203310 XGBSTNOUHBLRTL-UHFFFAOYSA-N 446.470 5.040 30 20 IKED CC(C)CCO[C@@H](C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 604456395 QQFGTCWGVKBGDC-ZDUSSCGKSA-N 425.476 5.014 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3[nH]c4ccccc4c3Br)cc2)c1 609073681 REQBQJSPBSSNRX-UHFFFAOYSA-N 446.304 5.633 30 20 IKED Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 609194960 IRLAMGPCGJKHHL-SANMLTNESA-N 425.532 5.090 30 20 IKED CN(C(=O)c1ccc(COc2ccccc2Br)cc1)c1ccc(C#N)cc1F 609216817 PMYSLCPONGJQNJ-UHFFFAOYSA-N 439.284 5.315 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NCc3ccccc3OCc3ccccc3)cc2)nc1 609500900 NXFLWDDMOCHXFM-UHFFFAOYSA-N 435.483 5.255 30 20 IKED COCCN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nc2ccccc2s1 609641526 DVTFXZSCSALZBM-UHFFFAOYSA-N 443.528 5.040 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1)C(C)C 609744262 VNMMLMANUSYTGA-UHFFFAOYSA-N 442.519 5.751 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCCC[C@@H]2c2noc(C3CC3)n2)c1 609975271 NALRSIBCRAWHQJ-HXUWFJFHSA-N 448.910 5.632 30 20 IKED CN(C)CCn1ccc2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc21 610112854 GHUGLDLDAIYADV-UHFFFAOYSA-N 440.572 5.478 30 20 IKED CCOC(=O)CC[C@@H]1CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 611046471 ZHVZKQXLAVWHJF-FQEVSTJZSA-N 436.577 5.046 30 20 IKED Cc1cccc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)o2)c1 611167206 VQTDANIHFVRYFK-UHFFFAOYSA-N 449.580 5.571 30 20 IKED CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 612563843 JYCYZADTTWBKFQ-GGAORHGYSA-N 446.482 5.269 30 20 IKED C=CCn1c(SCc2nnc(-c3cc(C)c(CC)s3)o2)nnc1-c1ccccc1F 612653199 NGAVCRCKHMEKQS-UHFFFAOYSA-N 441.557 5.545 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@H](C#N)c1ccc2ccccc2n1 613292206 CJOOJCVSFDVKSY-GOSISDBHSA-N 429.476 5.486 30 20 IKED N#C[C@@H](C(=O)c1ccc(OCC(F)(F)F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 613405296 XDXOQNWXBWBWIX-ZDUSSCGKSA-N 444.356 5.746 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)c(C(F)(F)F)c1 620692005 VNEYGPXUAMQKJA-MYJAWHEDSA-N 425.266 5.484 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3SCc3cscn3)n2)cc1 642281252 SKNHWVLQZLYYFT-IBGZPJMESA-N 447.610 6.357 30 20 IKED C=CCCC[C@H](C)NC(=O)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 678909045 CRCGACKNWGQFQP-URXFXBBRSA-N 440.632 5.630 30 20 IKED O=C(Nc1c(F)cccc1Cl)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 680322983 XPWJBELJUVYQOJ-UHFFFAOYSA-N 445.718 5.614 30 20 IKED COc1cccc(NN=Cc2cn(Cc3ccccc3)nc2-c2ccc(OC)c(OC)c2)c1 725855537 ZLNFHUDRCBHFTP-UHFFFAOYSA-N 442.519 5.070 30 20 IKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc(Cl)cc2)[n+]2ccccc2)cc1Cl 726571349 UQMIOJHCDIUDET-UHFFFAOYSA-O 427.336 5.476 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 727224965 ZMYWAVFGLROKRC-UHFFFAOYSA-N 430.577 5.625 30 20 IKED N#CC(CCOC(=O)c1cc(F)c(Cl)nc1Cl)(c1ccccc1)c1ccccc1 727520121 CPCKHQMTRIVDQZ-UHFFFAOYSA-N 429.278 5.584 30 20 IKED Cc1cccc(-c2nnc([C@H](C)OC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)o2)c1 728669320 OFBZRLQDTLEMNM-KRWDZBQOSA-N 425.444 5.627 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1 730177880 WGTOINBMAIMSNL-UHFFFAOYSA-N 449.482 5.766 30 20 IKED CC(C)COc1ccc(C2(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)CCC2)cc1 731767757 IPNGPBHGKBWLDT-LJQANCHMSA-N 437.490 5.764 30 20 IKED Cc1cccc2sc(N(Cc3ccccc3)C(=O)Cc3ccc(OCC#N)cc3)nc12 731959320 JHFZXDMOHDSFQW-UHFFFAOYSA-N 427.529 5.283 30 20 IKED Cc1ccc(F)cc1NC(=O)[C@H](C)OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 732377165 BKVDUSIMLKFGOL-KRWDZBQOSA-N 432.451 5.177 30 20 IKED CC(C)NC(=O)Nc1ccc(C(=O)/C=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 733084052 WBVWTTKOLXHRRJ-KHPPLWFESA-N 436.493 5.144 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(F)cc2)c1 733799522 ROHWNIYDBDWTKW-HXUWFJFHSA-N 449.530 5.312 30 20 IKED CCc1cccc(CC)c1NC(=O)COC(=O)c1cccc(COc2ccc(C#N)cc2)c1 734586817 YCONFTWNCKHVBY-UHFFFAOYSA-N 442.515 5.058 30 20 IKED C[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1cccc(C(F)(F)F)c1 739161075 XEWDCYLWNSAWMG-KUHUBIRLSA-N 439.462 6.071 30 20 IKED COc1ccc(SCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1OC 741113791 ZYPDLEYKTZGXNF-GOSISDBHSA-N 449.557 5.058 30 20 IKED O=C(/C=C/c1csc(COc2ccc(Cl)cc2)n1)c1c(Cl)nc2sccn12 741849256 UNWKUARBVJRXLO-ZZXKWVIFSA-N 436.345 5.634 30 20 IKED COCCN(C(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12)c1ccc(C#N)cc1 741956898 HXJYBDWVIYZUQY-UHFFFAOYSA-N 425.463 5.206 30 20 IKED O=C(O)COc1ccc(/C=C2\Cc3c(ccc(Cl)c3Cl)C2=O)cc1Br 742435312 VQCQMYHCVNFUSP-BJMVGYQFSA-N 442.092 5.042 30 20 IKED C[C@@H](c1ccccc1Cl)N(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C1CC1 743093511 VNBHRMQQXCNVIK-MHECFPHRSA-N 429.951 6.753 30 20 IKED C=CCn1c(-c2cccc(C)c2)nn(CN(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1=S 747804723 SMZNBGRVDWCRIX-BJKOFHAPSA-N 448.636 5.633 30 20 IKED C[C@@H](OC(=O)CCc1ncc(-c2ccccc2Br)o1)c1ccc(C#N)cc1 748677444 MZIYFXWVRQZZDU-CQSZACIVSA-N 425.282 5.213 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@H](OC(=O)CSc1ccc(C#N)cc1)C(F)(F)F 750198681 PZEJQVRLVQBOMW-NRFANRHFSA-N 445.466 5.300 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1 752678697 ORRGLEWRTSHKBK-NQIIRXRSSA-N 435.549 5.299 30 20 IKED COc1cc(Cl)c(C=Nn2c(S)nnc2SCc2ccccc2)cc1Cl 753923425 IFSKSKFQIYLYOL-UHFFFAOYSA-N 425.366 5.057 30 20 IKED N#Cc1ccc(Br)c(COC(=O)c2ccccc2CSC2=NCCS2)c1 755506794 LAYYKRPMIPYGDC-UHFFFAOYSA-N 447.379 5.014 30 20 IKED C#CCN(Cc1ccc(F)cc1)Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1 756500747 IVXGXFOWESRNRD-UHFFFAOYSA-N 435.568 5.527 30 20 IKED C=C[C@H](CC(=O)O[C@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)c1ccccc1 758913361 RKYUYXJKIFBOGL-QZTJIDSGSA-N 448.544 5.231 30 20 IKED CN1C/C(=C\c2nc3ccc(F)cc3s2)C(=O)/C(=C/c2nc3ccc(F)cc3s2)C1 761473957 JXVDMBQEOUMOCJ-PWHKKFIBSA-N 439.512 5.166 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc2c(ccn2Cc2ccccc2)c1 763928150 BEFLESQLUGOXKU-RUZDIDTESA-N 449.554 5.776 30 20 IKED Cc1nc(CON=CC(=O)Nc2ccccc2Br)oc1-c1ccc(Cl)cc1 768522425 RRHRNVUOBDZFKT-UHFFFAOYSA-N 448.704 5.207 30 20 IKED CC(C)N(C[C@H](O)COc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 770177983 IYOJMISQMIYGFK-AZGAKELHSA-N 443.547 5.024 30 20 IKED Cc1sc2ncn(N=Cc3cc(F)cc(C(F)(F)F)c3)c(=O)c2c1-c1ccccc1 772836861 JCRUDXWERWDFGM-UHFFFAOYSA-N 431.414 5.474 30 20 IKED C[C@H](Cc1ccccc1)n1cccc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 773767250 APCGILMJQWYMCL-CRAIPNDOSA-N 440.330 5.560 30 20 IKED COc1cc(NCc2ccc(Cl)cc2C#N)c(C(=O)N2[C@@H](C)CCC[C@H]2C)cc1OC 774280738 KUICVYDYZDWHPD-IYBDPMFKSA-N 441.959 5.244 30 20 IKED CC[C@H](C#N)Oc1cc(CNc2nnc(Cc3ccc(Cl)cc3)s2)ccc1OC 777756258 FLHVZHCHQITQDP-QGZVFWFLSA-N 428.945 5.084 30 20 IKED C[C@H](OC(=O)c1ccc(C#N)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 778542999 NFZFWWSERJWAGO-VIFPVBQESA-N 431.197 5.068 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)ccc1OC 779102190 RQRMYLVAFJAJQO-RDGATRHJSA-N 431.492 5.164 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)[C@@H](C#N)C(=O)NCc2cccc(Cl)c2)cc1 786530366 HETTUVJAFLCPOG-OAQYLSRUSA-N 445.931 5.002 30 20 IKED CC(C)(C)OC(=O)NCc1cc(NC(=O)C2(C#N)CCCCC2)cc(C(F)(F)F)c1 787684713 OGHIZOYTFLJROL-UHFFFAOYSA-N 425.451 5.143 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2CCC([C@H](F)c3ccccc3F)CC2)c1=S 795652237 IWJFOOFDMFIYSY-NRFANRHFSA-N 441.551 5.181 30 20 IKED Cc1nc(SCC(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c2c(C)c(C)sc2n1 797569525 RPCLPMXVTYSTOO-ZDUSSCGKSA-N 430.624 5.339 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2ccc(F)cc2OC2CCOCC2)cc1 806201108 UJFSAZHWLMSLEJ-QHCPKHFHSA-N 445.494 5.683 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2c3ccccc3CC23CCOCC3)cc1 810158881 VUSPYYLSZORLCH-CLJLJLNGSA-N 437.543 5.558 30 20 IKED C[C@@H](N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21)c1ccc(C#N)c(F)c1 810257606 NQELZJYTWMQNPM-QVKFZJNVSA-N 439.531 5.997 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2C[C@H](c3ccccc3)OC2=O)cc1Cl 813409700 JKKUEOOUDSKYBH-QZNHQXDQSA-N 430.891 5.238 30 20 IKED N#Cc1ccccc1OCc1ccc(-c2nc(-c3sccc3Br)no2)o1 904891030 XKJOYJADIIIIRG-UHFFFAOYSA-N 428.267 5.271 30 20 IKED CC(C)(C)OC(=O)N[C@H](CCCCC#N)c1nc(-c2sccc2Br)no1 904896120 XLHVYKMSZFTTCE-GFCCVEGCSA-N 441.351 5.210 30 20 IKED CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 916057304 NRWHPROCVRDYEA-HXUWFJFHSA-N 434.883 5.222 30 20 IKED COc1cc(OC)c(C(=O)/C=C/c2cc(OC)c(OC)cc2Br)cc1Cl 916154638 QGLQMJCVDASNOE-AATRIKPKSA-N 441.705 5.033 30 20 IKED N#C[C@@H](C(=O)/C=C/c1ccccc1OC(F)(F)F)C(=O)Nc1ccc(Cl)cc1Cl 916930948 IDXSYLSXVIUJQZ-LJLILKBBSA-N 443.208 5.253 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@H]2Cc2ccc(F)cc2)c1=S 917617626 NCSIEFPKISWVCR-FQEVSTJZSA-N 438.572 5.079 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3coc4cc5c(cc34)CCC5)n2)cc1 920143279 OLXFSMNRULBZJB-NRFANRHFSA-N 428.513 5.473 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCCOc1ccccc1C#N 920670811 JOYTYZWLTSOSCG-HNNXBMFYSA-N 442.924 5.111 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(N2CCOC2=O)c1 920977528 ZVXMAUCCIULFGL-HOYKHHGWSA-N 440.503 5.181 30 20 IKED C[C@H](C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1)c1cccs1 1790708620 KGYLWQBFPJWCNS-SFHVURJKSA-N 443.572 5.366 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@H]4c4ccccc4)cc3)CCC2)cc1 1791531945 AOCOZYXEJRGBIP-DQEYMECFSA-N 435.527 5.110 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccoc4)cc3)CCC2)c1Cl 1791955167 AFMYRLLMAZRLCE-UHFFFAOYSA-N 447.922 5.185 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(F)ccc3C(F)(F)F)cc2)CCC1 1792173967 AKDMQWQUIRIELX-UHFFFAOYSA-N 432.417 5.006 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1c[nH]c2cc(C)ccc12 1804514265 XKUFYNLWZKVXGH-ZCYBBPFWSA-N 433.596 5.120 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@@]3(F)CCCCC3(F)F)CC2)C1 1804862682 YAOKMGVIGNJWOB-QHCPKHFHSA-N 442.566 5.128 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)ccc2C)[C@@H]1c1cccnc1 1813768073 JNNVABCCTXEFRP-UPVQGACJSA-N 433.596 5.010 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2oc3ccccc3c2C)n[nH]1 1818569473 SMCXRYKVQRWCIF-GHTZIAJQSA-N 446.551 5.539 30 20 IKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)[nH]n1 1822398847 JLQZKVPIJBWGDM-MRXNPFEDSA-N 428.945 5.160 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccsc3[nH]2)CC1 1824143177 HLFVKZDWTWVPKC-QFIPXVFZSA-N 439.625 5.231 30 20 IKED C=CCn1c(SCCOc2ccc(Br)cc2)nnc1-c1ccccc1OC 10242584 HJUGRPNLRWFNGG-UHFFFAOYSA-N 446.370 5.073 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2cccc(O)c2)cc1 11159876 NDAOTHGRQGXMAR-UHFFFAOYSA-O 446.379 5.600 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2ccc(F)cc2F)cc1 11247608 IZBDBNULGLNMLD-UHFFFAOYSA-O 425.524 5.482 30 20 IKED N#CCC[C@H](C#N)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 15244486 DGLRTGCFQHCOSV-CQSZACIVSA-N 428.348 5.777 30 20 IKED Cc1cc(C)c(Nc2nnc(SCC(=O)Nc3ccc(CC#N)cc3)s2)c(Cl)c1 16328526 DNVMNFHQWXXBHQ-UHFFFAOYSA-N 443.985 5.349 30 20 IKED O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(Cl)c([N+](=O)[O-])c1 16406406 CHQGPXVZHRGWPC-PKNBQFBNSA-N 444.878 5.451 30 20 IKED C=CCn1c(SCc2nnsc2Cl)nc2scc(-c3ccccc3)c2c1=O 21665290 FBKUCPRIDLVAQV-UHFFFAOYSA-N 432.983 5.108 30 20 IKED Cc1ccc(C[C@@H](C#N)Sc2nc3cc(Cl)ccc3c(=O)n2Cc2ccco2)cc1 24835894 VZMFJKKEAFALSO-IBGZPJMESA-N 435.936 5.227 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2Sc2ccccc2)nnc1-c1ccco1 29547545 TVNBVAYFEVBWBT-UHFFFAOYSA-N 448.573 5.606 30 20 IKED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CS[C@H]1CCCc3ccccc31)CCCC2 110312186 CKWNNXSNYXZUQO-CYFREDJKSA-N 449.620 5.167 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(OC3CCCC3)c2)cc1 303287406 ACEUFXDGPWMYDW-UHFFFAOYSA-N 426.516 5.905 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(S[C@@H](C(=O)N(C)C)c3ccccc3)n2)o1 303597275 NIMVGYNOTQEWIO-LJQANCHMSA-N 445.466 5.462 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3[nH]2)cc1 303818295 WWHLZOOTMJPZFR-UHFFFAOYSA-N 432.936 5.627 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(CC(F)(F)F)cc2)cc1 303893104 KLUVLVARFQSRGG-UHFFFAOYSA-N 426.463 6.208 30 20 IKED C=CCOc1ccc(/C=C2\CN(CC)Cc3c2nc2ccccc2c3C(=O)O)cc1Cl 409701754 BCFLKSVIPMUTMZ-SFQUDFHCSA-N 434.923 5.527 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC(F)(c4ccc(Cl)cc4)CC3)cc2)nc1 410195498 YYSFSXHOJUZKED-UHFFFAOYSA-N 435.886 5.500 30 20 IKED N#CCCn1ncc(C(=O)Nc2cccc(OCc3cccc(F)c3)c2)c1-c1ccccc1 428238289 NBOUOVGUXQDKJU-UHFFFAOYSA-N 440.478 5.434 30 20 IKED COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1ccc(C#N)cc1Cl 430367794 UXVZFTXNCQEENU-UHFFFAOYSA-N 426.881 5.136 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O 430633771 QECCCOZLIASJCL-UHFFFAOYSA-N 435.483 5.020 30 20 IKED C[C@@H]1C[C@@H](NC(=O)c2ccccc2Sc2ccccc2C#N)CCN1Cc1ccccc1 430662630 ILGDULWOWBPVEJ-OFNKIYASSA-N 441.600 5.492 30 20 IKED C[C@@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H]1OCCc2sccc21 431835608 PEYYXXLZNYMDBP-MZNJEOGPSA-N 432.545 5.282 30 20 IKED C[C@H](CC#N)Sc1ccccc1N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 433727091 FLAVBKNQCQVCRZ-KDOFPFPSSA-N 435.471 5.197 30 20 IKED COc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1F 433960326 OORPMEPPYBEEOB-UHFFFAOYSA-N 448.450 5.108 30 20 IKED CCn1nccc1C1CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 434004078 APDKVRYRNVOJLL-UHFFFAOYSA-N 434.927 5.240 30 20 IKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C 435004987 WAZIPKWWXFCNMN-SFHVURJKSA-N 444.535 5.140 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)cc1 435948884 JUMZNVQVONJHFG-UHFFFAOYSA-N 445.397 5.405 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1 439567905 HNVBIANJUDSFPU-IBGZPJMESA-N 440.503 5.106 30 20 IKED COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 439672530 LJKPCHVFIHWBMT-MRXNPFEDSA-N 447.466 5.024 30 20 IKED CSc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 440119314 NLVGUYDRGUMCEE-OAHLLOKOSA-N 449.507 5.027 30 20 IKED Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 441268267 KMDAYGHWWVSQMY-RCZSKKKRSA-N 435.593 5.123 30 20 IKED CC(C)Oc1ccc(-c2cccc([C@H](C)N(C)C(=O)C(=O)Nc3cccc(C#N)c3)c2)cc1 442079873 NVBDFKCDBDYCFQ-IBGZPJMESA-N 441.531 5.171 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1NC(=O)CC(C)C 442873939 PWVFAIZUINCRST-HXUWFJFHSA-N 442.544 5.465 30 20 IKED C=CC[C@H]1N(C(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)CCCC1(C)C 443854557 CXUXDDUXSIIVKQ-LJQANCHMSA-N 426.630 5.118 30 20 IKED C[C@@H]1CCCN(c2cc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)ccn2)C1 464192441 UHWXJZYTVOYSGJ-ZBFHGGJFSA-N 438.503 5.210 30 20 IKED Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 464418880 BSURKTSEXGUQGH-CQSZACIVSA-N 439.315 5.573 30 20 IKED C[C@H](NC(=O)N[C@H](c1cc(F)ccc1F)c1ccccc1Cl)c1ccc(C#N)cc1 465669605 ZOISVSNKRHTWNW-FPTDNZKUSA-N 425.866 5.640 30 20 IKED O=C(Nc1ccccc1F)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 468760448 AQMXIWACTCXOID-INIZCTEOSA-N 436.327 5.469 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(OCC2CC2)c(F)c1 469441903 AMERLJUWFYKDJQ-INIZCTEOSA-N 431.467 5.164 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)NCc2nnc(-c3ccccc3)s2)cc1 470167212 NKANTIBTUFPZTN-UHFFFAOYSA-N 428.542 5.158 30 20 IKED Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)o1 470537125 IRRGJTNJWOKABL-QFIPXVFZSA-N 434.540 5.320 30 20 IKED COc1cccc2c1CC[C@H]2NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 470792835 KZQNMJCILGWSAF-XMMPIXPASA-N 427.504 5.149 30 20 IKED C[C@@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccccc1Br 476679798 AHYURFYHVXUWIY-FAEJEUNOSA-N 442.357 5.071 30 20 IKED C[C@@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@@H](C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 478901668 RGYYGIWYURETAH-QZTJIDSGSA-N 430.552 5.138 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1ccco1 479929346 WASWJKDBDAYDDP-UHFFFAOYSA-N 444.560 5.436 30 20 IKED C=C[C@](C)(CC)C(=O)Nc1cc2c(cc1Br)CN(C(=O)[C@](C)(C=C)CC)C2 480821111 VSSRQLYYCPJTGJ-FGZHOGPDSA-N 433.390 5.434 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 481933626 PLKLTBMIMFNELU-UHFFFAOYSA-N 427.892 5.089 30 20 IKED C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)CSc1ccc(C#N)cc1 482819558 SAQDUTKUOCNLHF-HOTGVXAUSA-N 441.984 5.346 30 20 IKED Cc1ccc(-n2ncc(C(=O)[C@@H](C#N)c3cnc4ccccc4n3)c2C2CC2)cc1Cl 483223342 BJIGPNIVSDDYRI-KRWDZBQOSA-N 427.895 5.145 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccccc1Cl 483251004 FWPASDYHGCPBHD-CYBMUJFWSA-N 425.826 5.069 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCc4cc(Cl)ccc4C3)c2)cc1 484179650 QCZJFIVQPWIJBP-UHFFFAOYSA-N 431.923 5.575 30 20 IKED Cc1cccc(-c2cc(Cl)ccc2NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)c1 484327270 VGDOKIZNBBKACC-UHFFFAOYSA-N 447.922 5.575 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(OCC(F)(F)F)cc2)cc1C 495339994 IEWXNQVXFAOUHY-UHFFFAOYSA-N 442.441 5.274 30 20 IKED C[C@@H]1CC2(CCC2)CN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 496381959 UVJOVQVDMZEFTP-CYBMUJFWSA-N 434.487 5.421 30 20 IKED COc1cc(C)c(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1OC 502615665 LYJHXXSWNYLBBT-UHFFFAOYSA-N 437.883 5.974 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cccc(COCc3ccco3)c2)cc1 502685161 IYSZXHQXPFXIGP-UHFFFAOYSA-N 438.483 5.699 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)cc1 505616770 BTOVQZUNPHJZHV-AOMKIAJQSA-N 441.487 5.206 30 20 IKED CN(C(=O)c1ccc(NC(=O)c2cc(C#N)ccc2Cl)cc1Cl)C1CCCCC1 507186468 FAUXQATXPANYPC-UHFFFAOYSA-N 430.335 5.522 30 20 IKED C[C@@H](NC(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21)c1ccc(C#N)cc1 509228035 SUTMXQHDKWAXMZ-FZKQIMNGSA-N 430.371 5.260 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccncc1OCc1ccccc1 509266937 GRVLHJSWRIEQPG-UHFFFAOYSA-N 427.957 5.273 30 20 IKED COc1ccc([C@@H](C)N(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 509901340 VTENUGGFGWYFDV-LJQANCHMSA-N 429.520 5.565 30 20 IKED CCc1ccccc1NC(=O)CN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 510914130 GGPPXVFHSVXEPD-UHFFFAOYSA-N 442.519 5.324 30 20 IKED CCOc1ccc(Oc2cc(CNC(=O)Nc3ccc(C(C)(C)C#N)cc3)ccn2)cc1 511623628 BBZVKKBUFXGIHN-UHFFFAOYSA-N 430.508 5.395 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(Cc3ccccn3)ccc2C)cc1C 512848364 DKYWYHWYHAUVFB-UHFFFAOYSA-N 449.558 5.627 30 20 IKED Cc1cc(OC(F)F)c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)s1 512965026 YEXJPCUDTKECBM-VIFPVBQESA-N 426.416 5.550 30 20 IKED CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1 513239062 UBDSCYDOVADUID-UHFFFAOYSA-N 441.531 5.308 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(-n3cccn3)c(F)c2)cc1 513875070 VBOKEWVTBABWKN-UHFFFAOYSA-N 443.457 5.256 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Br)nnc1-c1ccccc1 514958121 KLENWNVOCOPCDH-CQSZACIVSA-N 443.370 5.013 30 20 IKED Cc1c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)nnn1-c1cccc2cnccc12 518688701 LLXFEDQKFOVGFN-UHFFFAOYSA-N 446.470 5.040 30 20 IKED CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)C(C)C)cc1 519442655 TWTGQWMXZDCYJV-WZONZLPQSA-N 437.609 5.514 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccccc4Cl)C3)cc2)c1 520941699 XOILIGZVHUSZGW-HSZRJFAPSA-N 433.895 5.609 30 20 IKED C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 521328187 KFZVUDKTVAJPPF-LLVKDONJSA-N 434.892 5.554 30 20 IKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c12 521730684 SQJZPEQELYDAQM-CQSZACIVSA-N 447.589 5.509 30 20 IKED CC(C)n1c(CCNC(=O)c2ccc(OCc3ccccc3C#N)cc2)nc2ccccc21 522927117 FNNMAEAEIRZGIC-UHFFFAOYSA-N 438.531 5.040 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 523780786 IWKKTWAQLYJJLJ-JGCGQSQUSA-N 445.588 5.556 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)NCc2nnc(-c3ccccc3)s2)cc1Cl 535603910 QATMKIMIYWUPET-UHFFFAOYSA-N 446.919 5.452 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@@H](C[C@H]2CCOC2)c2ccccc2)n(C2CCCCC2)c1C 537132391 CPGGWSLVBFVLJK-BWKNWUBXSA-N 448.611 5.178 30 20 IKED O=C(Nc1nnc(C(F)(F)F)s1)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 538337885 YYNOEKXYEAGDBD-SSDOTTSWSA-N 438.275 5.001 30 20 IKED CCC(=O)Nc1ccc(C)c(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 541993532 GNBDVOJUOUYPAL-GOSISDBHSA-N 426.520 5.765 30 20 IKED C[C@H](N[C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 542571149 LDEPFUGQIOBUHX-HOTGVXAUSA-N 434.565 5.221 30 20 IKED CC(C)(C)[C@@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C[C@@H]1O 542634530 VQJYXFCZSMZHKE-VWPQPMDRSA-N 425.960 5.256 30 20 IKED C[C@@H]1C[C@H](c2cccnc2)N(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 543561909 GJKZVAHPHWAIBC-KBMIEXCESA-N 426.520 5.342 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(Br)c(Cl)c1Cl 543649291 VOVDQUABARYJPY-UHFFFAOYSA-N 428.117 5.099 30 20 IKED C[C@@](O)(C1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1)C(F)(F)F 545250166 DECGUBMLECZWQV-JOCHJYFZSA-N 448.510 5.016 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)CC1 548774809 RYGQPIIDMMTGSH-HSZRJFAPSA-N 449.526 5.277 30 20 IKED CC(C)(CNc1cc(C#N)c([N+](=O)[O-])c(NCC(C)(C)C(F)(F)F)c1)C(F)(F)F 548872979 KVZRNSLTTOSUFD-UHFFFAOYSA-N 426.361 5.467 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)N[C@@](C)(C#N)C3CCCCC3)c2)cc1 550747493 GCIXLGFGJZHIPM-MHZLTWQESA-N 432.564 5.380 30 20 IKED C[C@](C#N)(NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)C1CCCCC1 559594385 BCMRKYIWIOYDAR-HSZRJFAPSA-N 441.601 5.114 30 20 IKED N#Cc1ccc(N2CCC(N[C@@H](c3cccc(C(F)(F)F)c3)C3CCOCC3)CC2)cc1 560536956 OEUGQNRSZLZZHS-XMMPIXPASA-N 443.513 5.303 30 20 IKED C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2ccc3ccccc3c2)n1Cc1ccccc1 567253968 VXVZHDCWXRDLQA-UXHICEINSA-N 425.536 5.215 30 20 IKED COC1(c2noc([C@H]3CCCN3c3ccc(C#N)cc3)n2)CCC(c2ccccc2)CC1 586757722 FYVZSNWOIXTBPP-NHXWLTBQSA-N 428.536 5.482 30 20 IKED Cc1ccc(C(=O)CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)s1 590236837 FZJSORRQAZFSRB-UHFFFAOYSA-N 438.936 5.762 30 20 IKED CCOC(=O)c1ccc(C#N)c(S[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)n1 591614081 KTYRYALQHXEOJZ-INIZCTEOSA-N 447.516 5.042 30 20 IKED Cc1ccc(-n2nc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c3c2CCC3)c(F)c1 593595400 VKHWKJAYLWTUDX-OAHLLOKOSA-N 434.471 5.047 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N 598662218 SKTNWCPYZLPKMG-CYBMUJFWSA-N 425.501 5.037 30 20 IKED Cc1nc(COc2ccccc2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cs1 603623634 KEDNKYCJFGTYOS-UHFFFAOYSA-N 442.500 5.342 30 20 IKED CCc1ccc(CN(C)C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 604154246 HXNXKQSGSVPDHL-UHFFFAOYSA-N 447.922 5.163 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)c1ccc2ccccc2n1 608552794 NSIWSSGQQXBFIX-NRFANRHFSA-N 434.430 5.581 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3csc(-c4c(F)cccc4F)n3)cn2)cc1 608786323 OPQJLCPKNOALDJ-UHFFFAOYSA-N 434.427 5.400 30 20 IKED N#CCC[C@@H](C#N)CSc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1 608845895 PDEOLXCAGXFKQH-HNNXBMFYSA-N 444.402 5.748 30 20 IKED N#Cc1ccc(N2CCC(NC(=O)Nc3ccc(Oc4cccc(Cl)c4)cc3)CC2)nc1 608996160 UQCFJTQPBKKFHC-UHFFFAOYSA-N 447.926 5.189 30 20 IKED CN(CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(Cl)cn1 609164160 HVVFRFWZKQLRBT-LJQANCHMSA-N 425.319 5.119 30 20 IKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609209850 PTIDSWPGDBDATN-NVQXNPDNSA-N 441.531 5.982 30 20 IKED N#Cc1ccc(CN[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c(F)c1 609233975 FKJBRENAFHHEAN-NRFANRHFSA-N 427.401 5.186 30 20 IKED COc1ccc2oc([C@@H](C)NC(=O)c3occc3COc3cccc(C#N)c3)c(C)c2c1 609299611 CUEDBXNPBKTTHS-MRXNPFEDSA-N 430.460 5.285 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1 609377599 YMAHJEJXLHJHNM-QHGAOEGBSA-N 427.614 5.132 30 20 IKED N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCC(c3nc(-c4ccccc4)cs3)CC2)cc1 609521887 WCHJXLKUSUJZNW-DEOSSOPVSA-N 442.588 5.057 30 20 IKED N#Cc1ccc(Oc2ccc(N[C@H]3CCN(c4ccc(C#N)cc4)C3=O)cc2Cl)cc1 609633665 KNEAMCCAMNCPCB-QFIPXVFZSA-N 428.879 5.093 30 20 IKED CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 609811193 TUJQSYTYGSGNIG-XMSQKQJNSA-N 442.629 5.116 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cnn1-c1ccc(F)cc1 610313495 HADWQODPVFNXII-UHFFFAOYSA-N 430.414 5.375 30 20 IKED Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)N1CCC[C@](C)(C#N)C1 612312989 VTSUFHONYIDOMY-RUZDIDTESA-N 433.531 5.889 30 20 IKED COc1ccc(CNc2ncc(Cc3cc(F)cc(F)c3)s2)cc1OCCCC#N 612625093 RGETZINKFMZGFO-UHFFFAOYSA-N 429.492 5.315 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3OCc3c(C)noc3C)n2)cc1 613314292 JBPDLRWMJRAQHT-HXUWFJFHSA-N 443.528 5.792 30 20 IKED Fc1ccc(OCc2nc(CN3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cs2)cc1 618455385 ZJWLYRNWPBNWNB-TXEJJXNPSA-N 442.400 5.424 30 20 IKED Cc1nnc(SCc2c(C(=O)N[C@H]3CCc4cc(C#N)ccc43)oc3ccccc23)s1 618790102 VSWLIVHUJBZBQA-IBGZPJMESA-N 446.557 5.174 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2cccc(Cl)c2)c1)c1nc(-c2c(F)cccc2F)cs1 620304629 XLRARWJQAAUZBM-HNNXBMFYSA-N 440.862 5.417 30 20 IKED O=C(Nc1ccccc1SCC(F)(F)F)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674555030 XNWFPPYRQZYTSS-DTORHVGOSA-N 440.331 5.546 30 20 IKED Cc1nn(C)c(C)c1[C@@H](NC(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1)C(F)(F)F 679131021 GDHNEYVUJUDQIC-CYBMUJFWSA-N 444.326 5.116 30 20 IKED C[C@@H](Sc1nnc(Cc2ccccc2F)o1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 727690514 GKKYBPALBFYUNJ-HFITWMCCSA-N 437.540 5.161 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1 728006688 YBCXSFSINVKSAR-UHFFFAOYSA-N 443.503 5.737 30 20 IKED Cc1ccc(NC(=O)CON=C(Cc2nc3ccccc3n2C)c2ccccc2)cc1Cl 730100542 OAWVBSJTOUWVCC-UHFFFAOYSA-N 446.938 5.137 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Oc2cccc(Oc3ncccn3)c2)cc1 730178332 FLTARCXGTAXVIN-UHFFFAOYSA-N 427.391 5.291 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2cc(Br)cs2)cc1 730685653 BAHNGZJAORCBBO-SCLBCKFNSA-N 433.371 5.304 30 20 IKED C#CCOc1ccc(N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1 731040171 BSQDJSSKQPPDPC-QFIPXVFZSA-N 435.867 5.052 30 20 IKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nnn1-c1ccc2ncccc2c1 731327192 ZDQARAYQKNIRKH-XMMPIXPASA-N 444.498 5.032 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 731332870 UIOJASSXAMPKRW-XJKVJRSZSA-N 433.415 5.753 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)cc1 732956571 WDIIPGUHLIPSQU-YYLNTILESA-N 447.494 5.345 30 20 IKED CC[C@H](C#N)Oc1cc(CNCc2c(OC(F)F)ccc3ccccc23)ccc1OC 733329866 BSQMTGYCUASYKO-GOSISDBHSA-N 426.463 5.421 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)ccc1OC 733640900 DCLHMHNLIHBLMP-DENIHFKCSA-N 429.948 5.226 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1)c1nc2ccccc2o1 733681736 ZLVAOCJBVOPWLF-NXXWWENFSA-N 447.922 5.131 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 733851845 LCHZGQKYJQFBAF-LJQANCHMSA-N 434.565 5.066 30 20 IKED C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1nc2ccccc2s1 734218009 FTUXAIDKBWUOGU-QGZVFWFLSA-N 444.535 5.780 30 20 IKED N#Cc1ccc(NC(=S)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)cc1Cl 734985428 DTRABBXDEHDYOM-MUUNZHRXSA-N 432.014 5.602 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccccc3C(=O)NCc3ccco3)c2)cc1 737778676 ZRRMCGDRZFLBBF-UHFFFAOYSA-N 436.471 5.077 30 20 IKED C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1cccc(C(F)(F)F)c1 739155513 QVOHYLCHQGWMDA-NHYWBVRUSA-N 426.797 5.339 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(C3SCCCS3)cc2)c1C 739668981 MIROHQJDRRMYMW-UHFFFAOYSA-N 434.590 5.482 30 20 IKED Cc1cc(C)n(-c2nncn2N=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)n1 744747241 DIFPJXLQUUASKK-UHFFFAOYSA-N 433.519 5.433 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)cc1OC 746010893 NOFXYWVREHNADT-ODFVOIPKSA-N 445.563 5.568 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)n1 747197617 KMZUJWGVUVMIJG-AWEZNQCLSA-N 436.389 6.116 30 20 IKED N#CCCN(CC(F)(F)F)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 748801887 DCHYAPQJYGQDKF-UHFFFAOYSA-N 435.496 5.507 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cc3cc(C)c(C)cc3o2)cs1 749131571 DIFJBSHGRPOSMK-TWGQIWQCSA-N 434.492 6.226 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccnc(Oc2ccccc2)c1 749338797 TWONDFKQDXSCCV-GOSISDBHSA-N 439.443 5.150 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1C#N 752199477 IAUCLTZVULWKDR-UHFFFAOYSA-N 443.463 5.023 30 20 IKED COc1cc2ccccc2cc1-c1nnc(COc2ccc(-c3ccc(C#N)cc3)cc2)o1 753837044 LBOAQLJVOCOOPS-UHFFFAOYSA-N 433.467 6.016 30 20 IKED CN1C(=O)CCc2cc(C(=O)/C=C\c3cccc(NC(=O)c4ccc(Cl)cc4)c3)ccc21 754689331 FUNJDUBEJRATGA-ACAGNQJTSA-N 444.918 5.397 30 20 IKED N#Cc1ccc(Br)c(CNc2cc(C(=O)N3CCCCC3)ccc2Cl)c1 754885206 JREXOGQMCLVQQU-UHFFFAOYSA-N 432.749 5.212 30 20 IKED N#Cc1ccc(Br)c(COC(=O)CCCc2ncc(-c3ccccc3)o2)c1 755537947 QGQDRMIVLAQUNA-UHFFFAOYSA-N 425.282 5.042 30 20 IKED CC(C)c1ncc(/C=C2\CC3(CCOCC3)C/C(=C\c3cnc(C(C)C)s3)C2=O)s1 758434222 OSTDBKWVZHCVSL-BEQMOXJMSA-N 442.650 6.473 30 20 IKED C/C(=C/c1cccc(Cl)c1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 759208373 XEGBVWAOCJCPOM-RUDRXDDOSA-N 430.891 5.883 30 20 IKED COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCC2(C#N)CC2)cc1Cl 766780906 AVVLRVPBFDYZKV-YBEGLDIGSA-N 429.954 5.191 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4cc(OC)ccc4nc3C)n2)cc1 770115036 KRQXYVDOGQXZLZ-FQEVSTJZSA-N 429.501 5.174 30 20 IKED CC(=O)N(c1nc(C=NNc2nc3ccccc3cc2C)cs1)c1ccc(F)cc1F 776785100 SNXSMWBMPWTPPF-UHFFFAOYSA-N 437.475 5.409 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(COCCOc2ccccc2)c1 780499245 RUCWSUREFHRMQU-IBGZPJMESA-N 431.492 5.217 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 780513339 NLGLDTRAIASREI-HNNXBMFYSA-N 440.931 5.337 30 20 IKED CCN(CC)[C@H](CNC(=O)Nc1ccccc1O[C@H](C)C#N)c1ccc(C(F)(F)F)cc1 780675862 HTONXLWFAQSMRD-OXQOHEQNSA-N 448.489 5.201 30 20 IKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1c(Cl)ccc2cccnc12 781118746 QKHCWALOOGDYAL-UHFFFAOYSA-N 429.936 5.395 30 20 IKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)CC(C)(C)Cc1ccc(Cl)cc1 783069422 JOFSZXUAGAYNGL-SFHVURJKSA-N 442.943 5.012 30 20 IKED C=C[C@H]1CCCCN1C(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 785862714 FKJNYOAOGGXSRE-SFHVURJKSA-N 427.570 5.262 30 20 IKED N#CCCn1cc(/C=C\C(=O)c2ccc(SC3CCCC3)cc2)c(-c2ccncc2)n1 788352801 TWUQGNZRYSNUJJ-FLIBITNWSA-N 428.561 5.790 30 20 IKED CN(c1ccc(NCc2cn(CCC#N)nc2-c2ccncc2)cc1F)C1CCCCC1 788506190 BFFOZKYTWOHFQO-UHFFFAOYSA-N 432.547 5.379 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 789889606 NFYWPMMNLXUVGQ-VCSGRIEYSA-N 426.601 6.045 30 20 IKED COC1CCN(c2ccc(NC(=O)C[C@H](CC#N)c3ccccc3)cc2C(F)(F)F)CC1 793390345 PDHJEDCPZBADGU-SFHVURJKSA-N 445.485 5.347 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(COC(=O)C[C@H](CC#N)c2ccccc2)cs1 795993844 VLDTZIHWNPHWNO-FQEVSTJZSA-N 433.533 5.267 30 20 IKED CCOC(=O)Oc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 799931194 KFQGRLDJNKZCSW-UHFFFAOYSA-N 434.423 5.064 30 20 IKED CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 803651285 JOBYFIDZYYGMMT-WOJBJXKFSA-N 428.495 5.261 30 20 IKED C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 804255719 LGUGPVDQXAAETH-FQQGMQMYSA-N 427.479 5.328 30 20 IKED N#Cc1ccsc1NC(=O)CSC1=NC(=O)/C(=C/c2csc3ccccc23)S1 814773437 REFAQKNGHNAFTC-CHHVJCJISA-N 441.584 5.177 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2nc3cc(F)c(F)cc3[nH]2)cs1 912823695 VSDSZBZSKLGZET-UHFFFAOYSA-N 440.479 5.045 30 20 IKED CCCOc1c(C=Nn2cnnc2SCc2ccc(Cl)cc2)cccc1OCC 916546464 SBBAMCMEPYAYFO-UHFFFAOYSA-N 430.961 5.294 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccccc2)cc1 916902579 ZYMDSPHZFRCLLW-IBGZPJMESA-N 434.879 5.411 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc2cc(F)ccc2s1 916905350 NTDITFDVLXTHNA-GOSISDBHSA-N 430.460 5.794 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(Br)c1 916905467 KTICSBSXWPBKCL-OAHLLOKOSA-N 441.306 5.264 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 916940196 SOVXEFKKIJWQQO-CQSZACIVSA-N 448.306 5.526 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccc(C)cc3)n2)cc1 916950501 UHLIXTDGEOGJJK-VGSWGCGISA-N 431.561 5.522 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(-c3ccccc3)s2)cs1 917559308 HKLYTTWYTXQQPR-XFXZXTDPSA-N 448.544 6.591 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/CSc3c(F)cccc3C2=O)cs1 917560337 VYAZFAOYFQTSJC-LCYFTJDESA-N 444.940 5.992 30 20 IKED CN(Cc1ccc(Cl)nc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 918052382 FTHDDTYMNLGJEQ-UHFFFAOYSA-N 427.291 5.716 30 20 IKED COc1ccccc1-c1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)no1 918157257 BIGICILUURVBRV-HXUWFJFHSA-N 443.890 5.911 30 20 IKED Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1 919802592 YSCOMOJJYWCHGA-KXBFYZLASA-N 437.952 5.181 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 921132963 KJHPTHAXHVDBOR-ZDUSSCGKSA-N 439.949 5.829 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc(-n3ccc(O)n3)cc2)c1 1301707918 WIRLFYPAPCTUTH-UHFFFAOYSA-N 430.851 5.148 30 20 IKED CC[C@@H](OCCN(Cc1ccc(C#N)cc1)c1ccc2nc(O)[nH]c2c1)c1ccccc1 1307545946 KOMTUZGYSYEHAI-RUZDIDTESA-N 426.520 5.315 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(OC)cc3)cc2)CCC1 1787767727 DXQYYRFFUPDMDP-XMMPIXPASA-N 432.564 5.140 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(NC(C)=O)cc3)cc2)CCC1 1792134291 RUVGZOYZHLFJDH-UHFFFAOYSA-N 447.579 5.385 30 20 IKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2c(C)cc(C)cc2C)[C@H]1c1cccnc1 1803090032 UTTICMWEWAURQW-RSXGOPAZSA-N 445.607 5.095 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CSc2ccccc2)[nH]n1 1819553499 JPIONGOFOFOFGQ-FQEVSTJZSA-N 440.613 5.187 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3[nH]c(C)cc3c2)n[nH]1 1821584510 LEVVJIXFHCVNAZ-REWPJTCUSA-N 445.567 5.274 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)[nH]n1 1821917253 QQNBWAZUCPPNJJ-JLTOFOAXSA-N 439.947 5.063 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823211914 CUJBTCUGATVSIQ-GCJKJVERSA-N 447.583 5.335 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)cc2OC)CC1 1824146524 ZNGLOGMVKCUVNP-XMMPIXPASA-N 438.612 5.005 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C2CCCCC2)CC1 1830354842 ZYVSWQLZVNINBS-CNPKUOIJSA-N 426.645 5.511 30 20 IKED CC(C)(C)c1ccc(-c2nnc(SC[C@H](C#N)CCC#N)n2Cc2ccccc2)cc1 15235451 RAQMSNLOKOBFNW-FQEVSTJZSA-N 429.593 5.827 30 20 IKED CCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2Cl)cc1OC 16408395 HVWIROINYXGIJH-XBXARRHUSA-N 442.726 5.066 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2cccc(O)c2)cc1 22731063 TUUJGPJJCVRCAH-UHFFFAOYSA-O 432.352 5.346 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccc(F)cc1 24014712 QCFJMYMCESLDSD-AWEZNQCLSA-N 430.936 5.351 30 20 IKED Cc1ccc(F)cc1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 24427104 ULYKRKFUCIOZMR-UHFFFAOYSA-N 431.311 5.610 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 26498226 SMIHJDMEBBUTCM-SFHVURJKSA-N 448.592 5.770 30 20 IKED Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 32289496 SOUDTEMOOGRQOP-UHFFFAOYSA-N 430.552 5.178 30 20 IKED C=C(C)COc1cc(CN[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)ccc1OC 60947651 UGRVHHXVUZHFRZ-FQEVSTJZSA-N 430.548 5.753 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)CSCc1ccc(C#N)cc1 303319498 QXWCOXQIWPNGRA-CQSZACIVSA-N 442.009 5.754 30 20 IKED CC(C)CCN(CCC#N)C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 429058128 CVZMVFDOEWFBPP-UHFFFAOYSA-N 432.568 5.002 30 20 IKED Cc1cnc(C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)s1 433500603 XRUXPJONBSQTMQ-UHFFFAOYSA-N 432.549 5.835 30 20 IKED C=CCn1c(S[C@H](Cc2cccc(Cl)c2F)C(C)=O)nnc1-c1ccccc1OC 436112518 HSBQWQNBKMLJSV-LJQANCHMSA-N 445.947 5.225 30 20 IKED N#C[C@@H](C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cn1 442028143 JCAVDCJSZFQLPA-OAHLLOKOSA-N 443.406 5.650 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(-c4noc(C5CC5)n4)c3)n2)cc1 442855402 BPYRSEYNISKTIV-LJQANCHMSA-N 442.500 5.236 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](Oc2ccccc2Cl)C1 443936071 DCAUUQAMLLSVNE-IRXDYDNUSA-N 429.973 5.810 30 20 IKED N#Cc1ccc(CNC2(c3cccc(C(F)(F)F)c3)CCOCC2)c(Br)c1 447429905 BWGGVSGRPMLVGM-UHFFFAOYSA-N 439.275 5.135 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H]1c1cccc(OC)c1 460375932 NHXMBMOYSOPVHI-DEOSSOPVSA-N 427.552 5.276 30 20 IKED COc1ccc([C@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)cc1 461512872 WKDAYWPDKALTKM-HSZRJFAPSA-N 441.560 5.277 30 20 IKED CCN(C(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C)c1ccc(C#N)cc1 461547620 RKYJHEZGFHDKKA-UHFFFAOYSA-N 429.549 5.588 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1 465418401 UELBHVKNOAZCNB-NRFANRHFSA-N 436.496 5.668 30 20 IKED COc1cc(F)c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1F 468167959 DISQREMDOXUPKB-UHFFFAOYSA-N 425.410 5.218 30 20 IKED C[C@H](O)C[C@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1 469504975 NIEASGCPQINVAT-GBXCKJPGSA-N 443.547 5.008 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469951176 WCYDXWSCNAYDNX-UHFFFAOYSA-N 448.523 5.093 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@H](Oc3ccccc3)c3ccccc3)ccc21 470773171 NIMHYQBKIVGBIR-SANMLTNESA-N 439.515 5.028 30 20 IKED O=C(NCCC(F)(F)F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 477082671 BJBQVAAFHQDJMU-YQHILTGPSA-N 425.335 5.177 30 20 IKED CC[C@@H](C)n1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1C 480998059 KUOXPXFECGBVAA-IAQYHMDHSA-N 433.364 6.083 30 20 IKED CCc1c(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cnn1C(CC)CC 485052438 KRKNZVWSAWPETM-UHFFFAOYSA-N 445.523 5.048 30 20 IKED N#CCCC[C@@H](NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1)c1ccccc1 487287885 QZGDIZOSRHPQHS-OAQYLSRUSA-N 449.601 5.644 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CSc2ccc(Br)cc21 488334834 XBDPFJTUCSFOQR-MLGOLLRUSA-N 448.411 5.812 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)s2)cc1 491502281 LILXGMPOBHKEII-KGLIPLIRSA-N 426.489 5.009 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccccc3)[C@H](CO)C3CC3)cc2)c1 492158889 NYZSXLDPUNMMMZ-RUZDIDTESA-N 427.504 5.156 30 20 IKED CCn1nc(C)c(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1C 496305138 HIDNHAPMPJWXDP-UHFFFAOYSA-N 448.474 5.102 30 20 IKED Cc1ccc2c(c1)CN(C(=O)Nc1ncc(Cc3ccc(C#N)cc3C(F)(F)F)s1)C2 496380361 QBPDIRPHKZNAHH-UHFFFAOYSA-N 442.466 5.481 30 20 IKED CC1(C)CN(C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@H](c2cccc(C(F)(F)F)c2)O1 497835217 DRZXEICTRXWHHD-HXUWFJFHSA-N 430.470 5.499 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl 498087550 FFWWTNOLCNFPKM-MRXNPFEDSA-N 438.886 5.644 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)cc2)cc1 499416640 UGDGZHOYRLLRJF-QFIPXVFZSA-N 446.304 5.302 30 20 IKED Cc1noc(C)c1COc1ccc(CC(=O)N(Cc2ccco2)c2ccccc2C#N)cc1 500996259 JPAAXBNQKABIAP-UHFFFAOYSA-N 441.487 5.111 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)Cc1csc(-c2ccc(Cl)cc2)n1 500998911 OWIVLQLWOHSSNC-UHFFFAOYSA-N 433.920 5.704 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)c3cccc(OCc4ccccc4C#N)c3)CC2)cc1 501675247 ADWHUCXUWZMFTO-UHFFFAOYSA-N 438.527 5.181 30 20 IKED N#CC1CCC(CNC(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)CC1 508364270 XIGVPWDBXSXBIR-CPAJTMIGSA-N 445.332 5.154 30 20 IKED Cc1c(COC(C)(C)C)cccc1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 510068244 BDALJRWTADMXJT-UHFFFAOYSA-N 436.556 5.089 30 20 IKED COc1cc(C)c(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC 510858004 SMYZNUJNCTVRIL-UHFFFAOYSA-N 445.519 5.649 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CC(=O)Nc1cccc(C)c1C 510907546 XYJMAXDYVBTEGW-UHFFFAOYSA-N 442.519 5.378 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)Cc1csc(Cc2cccc(Cl)c2)n1 512300137 CZHJJUSBQVVWJR-UHFFFAOYSA-N 447.947 5.628 30 20 IKED N#Cc1ccc(OC2CCN(Cc3ccc(Br)c4cccnc34)CC2)c(F)c1 512818568 VQQISRSBYPYUTD-UHFFFAOYSA-N 440.316 5.051 30 20 IKED CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(Cl)s1 512990291 CRAUDCLZVZWIBF-QGZVFWFLSA-N 439.924 5.271 30 20 IKED CCCn1c(C)c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c2cc(OC)ccc21 515540188 ISKFINZOXKYZKZ-KRWDZBQOSA-N 436.462 5.603 30 20 IKED N#C[C@H](C(=O)c1ccc(CNC(=O)c2cccs2)cc1)c1nc(-c2ccccc2)cs1 515542387 XISUTJRPIOUYDP-LJQANCHMSA-N 443.553 5.292 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(Cc4ccccc4)nc3C)n2)cc1 516714191 TZUPDNFDDYSTII-LJQANCHMSA-N 445.569 5.665 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 518025120 GIXAYRNHFXNXAW-KRWDZBQOSA-N 432.332 5.332 30 20 IKED CC(C)c1ccc(CN(C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C2CC2)cc1 518751120 GDNCRUUHSDCNMX-GOSISDBHSA-N 435.593 5.334 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)cc1 520011310 MNXMSHTVSMRBDH-UHFFFAOYSA-N 442.462 6.241 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1sc(-c2cnn(C)c2)nc1C 522314021 FTTJXBZJLZBEJN-UHFFFAOYSA-N 429.505 5.077 30 20 IKED Cc1ccc(C)n1C1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 522635249 BKFANUVZPLOXLT-UHFFFAOYSA-N 433.939 5.900 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 522641409 FYPGQMTUBPZXET-UHFFFAOYSA-N 427.869 5.256 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(Cl)c1OCCOC 523509721 SELSDHCLNLUAJR-UHFFFAOYSA-N 429.822 5.201 30 20 IKED CCC[C@H](NC(=O)C1CCN(c2oc(C)nc2C#N)CC1)c1ccc(Cl)c(Cl)c1 527242454 RRZPNAOWWPOLQV-SFHVURJKSA-N 435.355 5.036 30 20 IKED CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 531775352 XVMTWHRPQTUMAJ-PZJWPPBQSA-N 448.958 5.367 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN(Cc2ccc(C#N)cc2)CC(C)C)cs1 532933425 VQHQYXOKCZKXEF-UHFFFAOYSA-N 446.620 5.974 30 20 IKED C[C@@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(OCc2cccnc2)cc1 536619938 KKPKRUAODWDYCO-HXUWFJFHSA-N 438.531 5.092 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4ccc(OC)cc4nc3C)n2)cc1 537665540 NYASPUZQLCBKNY-FQEVSTJZSA-N 429.501 5.174 30 20 IKED C[C@@H](Cc1ccccc1)n1cccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 538044145 AHWQWMMDYJZHKI-PGRDOPGGSA-N 436.540 5.777 30 20 IKED C[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 539630254 OGGKSJICFMEFBG-QGZVFWFLSA-N 427.479 5.124 30 20 IKED COc1cc(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)ccc1OCc1cccc(C#N)c1 540434055 RHARCBLKQSWBPS-RSXGOPAZSA-N 442.559 5.403 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cnc3ccccc3c2C(F)(F)F)n1 541145384 JPVCIGKUQWIUJU-UHFFFAOYSA-N 441.800 5.217 30 20 IKED N#Cc1cc(NCc2nnc(C3CC3)n2C2CC2)ccc1Oc1ccc(C(F)(F)F)cc1 542101075 QNONVCYTEVBGQZ-UHFFFAOYSA-N 439.441 5.785 30 20 IKED CC[C@@H](NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1nc(C(F)(F)F)cs1 542568653 KJKHQTWULRWOBR-QWHCGFSZSA-N 442.532 5.236 30 20 IKED N#CCCn1cc(C(=O)Nc2cccc(C(F)F)c2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 542578676 AVZWJKJFTAEOLR-UHFFFAOYSA-N 445.813 5.215 30 20 IKED CCCn1c(C)nnc1CN[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 543053290 VOBLMBMESODGPV-CQSZACIVSA-N 448.333 5.427 30 20 IKED COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1 544259746 PJQSRZGEJCVZAB-VFNWGFHPSA-N 435.915 5.021 30 20 IKED N#Cc1ccc(OCc2cccc(-c3nc(-c4cccc(Cn5ccnc5)c4)no3)c2)cc1 544952006 GMMDBUHJQBFCNH-UHFFFAOYSA-N 433.471 5.099 30 20 IKED N#Cc1ccc(SCc2nc(-c3cc(Cl)ccc3OCC(F)(F)F)no2)cc1 545047371 VDJDIUOWQLMRKJ-UHFFFAOYSA-N 425.819 5.495 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 554399640 XMJJTDOFSHGZMS-UHFFFAOYSA-N 446.555 5.718 30 20 IKED CC1(C#N)CCN(c2nnc(-c3cccc(C(F)(F)F)c3)n2CCc2ccccc2)CC1 558945241 UFBRQMNYDGXYSL-UHFFFAOYSA-N 439.485 5.337 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(Cn4ccnc4)c3)cc2Cl)c1 560122303 XSCWQHIXGYDAMW-UHFFFAOYSA-N 442.906 5.288 30 20 IKED N#Cc1ccc(N2CC[C@H](c3nc(-c4ccc(Oc5ccc(F)cc5)nc4)no3)C2)c(F)c1 564594586 IHIJDUBSOVBRDM-KRWDZBQOSA-N 445.429 5.068 30 20 IKED Cc1ccccc1[C@@H](C)c1noc(C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 565275359 KXRKNOZWKPZPCK-MRXNPFEDSA-N 429.480 5.034 30 20 IKED COc1ccc([C@@H](NC(=O)N2CCC(CC#N)CC2)c2ccc(C(F)(F)F)cc2)cc1 565559097 IZPQKLDYQUOABN-NRFANRHFSA-N 431.458 5.139 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(C2CCOCC2)CC1 579670343 ANKSKBKQXXHKPZ-UHFFFAOYSA-N 433.552 5.116 30 20 IKED N#CCCC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1ccccc1 584044014 KODHYUYAUZOGJA-OAQYLSRUSA-N 448.910 5.017 30 20 IKED COc1ccccc1OCc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)o1 603739827 JFCCEEGYQMVZQL-UHFFFAOYSA-N 441.443 5.178 30 20 IKED Cc1ccc(C2=NN(C(=O)CNc3cccc(OCCCC#N)c3)[C@H](c3ccco3)C2)cc1 604008774 BYFXKLFHRMZVQC-DEOSSOPVSA-N 442.519 5.060 30 20 IKED COc1cc2cc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)[nH]c2c(OC)c1OC 604331260 VVAKCRYOIKQNQB-UHFFFAOYSA-N 443.459 5.110 30 20 IKED CSc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1[N+](=O)[O-] 604445322 VAXSULNZUVXTMR-NSHDSACASA-N 431.445 5.208 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604500078 XDNUYVUDAZZTDW-HNNXBMFYSA-N 440.425 5.989 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1csc(Nc2ccccn2)n1 605506037 MXFKLEOEZNPTQB-UHFFFAOYSA-N 447.333 5.012 30 20 IKED C=CCCCCCN(C)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@H](C)CCC[C@H]1C 606940713 XNOVGAHJIJACND-RTBURBONSA-N 445.604 5.317 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Oc1ccccc1C(F)(F)F 608896898 FECHWLUCXDMBHU-HNNXBMFYSA-N 441.409 5.479 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3ccc(-n4cccn4)cc3)cc2Cl)c1 609062764 YRXNLNORAUTVOS-UHFFFAOYSA-N 442.906 5.158 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)c1cccc(Cl)c1F 609068736 ULYDMXKAYCZOHW-UHFFFAOYSA-N 430.888 5.039 30 20 IKED Cc1sc(NC(=O)CCCCCC(=O)Nc2sc(C)c(C)c2C#N)c(C#N)c1C 609227901 WBFCVUNLEPMJJT-UHFFFAOYSA-N 428.583 5.314 30 20 IKED CC(C)n1cnnc1C1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 609732942 TUMQRZRUQQOXQO-UHFFFAOYSA-N 449.942 5.196 30 20 IKED Cc1cccc(-c2ccc(CNC(=O)C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)c1 610030644 RUKQVORNEAPOSK-IBGZPJMESA-N 443.572 5.311 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(-c3ccncc3)cc2)cc1 610093728 QPOIWVIJIKMEHM-UHFFFAOYSA-N 448.526 5.715 30 20 IKED Cc1ccc(C)c(SCc2cccc(C(=O)Nc3ncccc3OCCCC#N)c2)c1 610174832 FOEZFQFYNPPQJX-UHFFFAOYSA-N 431.561 5.926 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 610223693 BYRGGUSFTVCEAN-WOJBJXKFSA-N 438.314 6.103 30 20 IKED C[C@@H](NC(=O)N(Cc1ccccc1OC(F)(F)F)C1CCCC1)c1cccc(C#N)c1 610406898 JTZMSRWIXVMUFQ-MRXNPFEDSA-N 431.458 5.672 30 20 IKED N#Cc1cc(Cl)c(C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)c(Cl)c1 611094460 KWLYXRHBXVISLB-UHFFFAOYSA-N 435.314 5.193 30 20 IKED C[C@@]1(C#N)CCCN(C(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)C1 612302374 FYYOMSCLEDBIRM-KRWDZBQOSA-N 442.397 5.295 30 20 IKED C[C@]1(C#N)CCCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C1 612365021 GICWXHCZLWFUCU-OAQYLSRUSA-N 438.534 5.122 30 20 IKED C=CCc1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)c(OC)c1 614986325 RPTQLLDUVRRQIA-UHFFFAOYSA-N 430.504 5.002 30 20 IKED O=C(NCCc1cc(C(F)(F)F)ccn1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 622618754 SOXSAKAZTUZSHQ-UHFFFAOYSA-N 430.270 5.111 30 20 IKED O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 674646464 CQDFZGRAPNDJMV-KXNHARMFSA-N 428.339 5.127 30 20 IKED Cc1cc([C@H](NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2cccnc2)ccc1F 680336612 LCHPPGMKDGCSJO-MDZRGWNJSA-N 434.399 6.118 30 20 IKED COc1ccc(C(=O)/C=C\c2cc(C)c(OCc3ccccn3)c(C)c2)cc1NC(C)=O 726428795 PQCTXLDIUMWLFS-NTMALXAHSA-N 430.504 5.141 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc2c(s1)-c1ccccc1C(C)(C)C2 726858436 LCKSBZKNUVFLHS-GOSISDBHSA-N 444.556 5.609 30 20 IKED CCN(C[C@@H](C)C#N)Cn1nc(COc2ccccc2Cl)n(-c2ccccc2)c1=S 726964179 VPOBZGLERBZBCY-KRWDZBQOSA-N 441.988 5.075 30 20 IKED COC(=O)Nc1cc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1F 727597326 XXLHQWIFEJGXBS-JZYVYDRUSA-N 445.335 5.035 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(-n2ccnc2S)cc1 728028292 CVTGANMCBKZVOM-UHFFFAOYSA-N 440.528 5.172 30 20 IKED COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 729035953 FUJWQVYFVLBTRT-BTYIYWSLSA-N 435.911 5.592 30 20 IKED Cc1cccc2[nH]cc(CC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)c12 729071171 YCHUBNCROJMHNB-MRXNPFEDSA-N 440.355 6.326 30 20 IKED Cc1cccc(C)c1NC(=O)CCCOC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 730377463 SOSIUXKSBUWVRK-UHFFFAOYSA-N 446.478 5.682 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cc1ccc(Cl)cc1Cl 731061654 FMXRGVGWNVCPSD-ZDUSSCGKSA-N 437.348 5.112 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc2c3c([nH]c12)CCCC3 731071630 VCZAWKWZVHBPMS-INIZCTEOSA-N 447.560 5.236 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 731076311 BKYLOFHWGKKNRC-YHYVQYDKSA-N 444.556 5.519 30 20 IKED N#C[C@@H](C(=O)CCCCOc1ccc(Br)cc1)c1nc2cc(F)ccc2s1 731293460 ZNEBMDYQOKEDID-INIZCTEOSA-N 447.329 5.623 30 20 IKED C#CCN(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1CCOc2ccc(Br)cc21 733112387 HZSVBGUHFMPREM-CPUCHLNUSA-N 444.291 5.103 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)C3CCOCC3)cn2)cc1 734644972 XAKRVPROXFEVEN-XMMPIXPASA-N 428.492 5.035 30 20 IKED Cc1cc(C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)c(C)n1-c1ccc(C#N)cc1 734815790 RBWVTYWFAMKFPT-HKBQPEDESA-N 433.577 5.265 30 20 IKED COC(=O)Nc1ccc(CCNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 737595611 WVORIPDSQKPMOU-UHFFFAOYSA-N 449.894 5.155 30 20 IKED N#Cc1ccc(-c2cccc(CNCc3ncc(-c4cccc(Br)c4)[nH]3)c2)s1 740014277 PJCUPAKRETYQMH-UHFFFAOYSA-N 449.377 5.729 30 20 IKED COc1ccccc1-c1ccc(C(=O)/C=C/c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 741471333 ZFBHDDOZGXCYHK-DTQAZKPQSA-N 439.471 5.567 30 20 IKED Cc1c(C(=O)/C=C/c2cn(C)nc2-c2cc3ccccc3o2)cnn1-c1ccc(C#N)cc1 741843433 GEAYQXFBKXCSHH-FMIVXFBMSA-N 433.471 5.095 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\CCc3cc(C#N)ccc3C2=O)cs1 742437767 QVPVMJWLECJXHN-GZTJUZNOSA-N 433.920 5.565 30 20 IKED CCC(CC)(Cc1nc2ccccc2s1)C(=O)O[C@@H](C)C(=O)Nc1ccccc1C#N 744723425 HTCWXIXJPMPLOL-INIZCTEOSA-N 435.549 5.087 30 20 IKED C=C(C)COc1cc(/C=C(\Cl)c2nnc(C(=O)Nc3ccccc3)s2)ccc1OC 747064491 XILSNYHKJWURTF-BOPFTXTBSA-N 441.940 5.491 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 748993659 CQPSNYQLTOEKIL-UHFFFAOYSA-N 444.604 5.873 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)NCCNc2ncccc2C#N)c(C(F)(F)F)c1 749003666 PQPIBWXVRCAOSC-CYBMUJFWSA-N 437.491 5.096 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(-c2ccccc2OC)on1 749134088 MUVYCVRZKJEJCX-UHFFFAOYSA-N 445.288 5.080 30 20 IKED C[C@@H]1C[C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCN1Cc1ccccc1 750988046 AXRJQQZVJRXNDL-AIGMYPEUSA-N 438.575 5.517 30 20 IKED C[C@@H](Cc1cccc(Cl)c1)C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 756351958 XAWJODROIRCYCQ-JKSUJKDBSA-N 430.957 5.095 30 20 IKED Cc1ccc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)o1 764755451 WIJHTZCUVOEHMF-UHFFFAOYSA-N 440.180 5.186 30 20 IKED N#C[C@H](C(=O)/C=C/c1ccnc(Cl)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 771260514 IOWWPFQQFLAPLG-KHZFFFCDSA-N 434.735 6.055 30 20 IKED Cc1ccc(Cn2nc(C)c(C(=O)Nc3cc(C(C)(C)C)sc3C#N)c2Cl)cc1 774163368 LSDCEUYOSADPOU-UHFFFAOYSA-N 426.973 5.685 30 20 IKED CN(C)C1CCN(c2ccc(NCc3cccc(OCc4cccc(C#N)c4)c3)cc2)CC1 774823056 FDZWUDNTUDRFTC-UHFFFAOYSA-N 440.591 5.280 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(Oc2cccc(Br)c2)cc1 780152167 CEFIAXURKXQINJ-OAHLLOKOSA-N 437.293 5.785 30 20 IKED COc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c(Cl)c1 780313709 RJIKSKLFNFWNAM-GOSISDBHSA-N 438.936 5.620 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cccc(C(F)F)c2)cc1Cl 780364646 FCICBYFNCMKPRX-LJQANCHMSA-N 432.879 5.734 30 20 IKED C[C@@H](NC(=O)c1sc(N2CCCC2)nc1Cl)c1ccc(-c2cccc(C#N)c2)cc1 782487957 NQODKYKYEUHHFQ-OAHLLOKOSA-N 436.968 5.426 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2ccc(C3SCCCS3)cc2)n1 782525264 VIPKDCFDWZIOOV-UHFFFAOYSA-N 440.981 5.518 30 20 IKED N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1ccc(-c2ccc(Br)s2)s1 782581847 SUXGXTPEHLWBEK-GFCCVEGCSA-N 437.384 5.010 30 20 IKED Cn1c(CSc2nc3ccccc3s2)nnc1SCc1ccc(C#N)cc1Cl 783970656 DWXLQURCDGSVTL-UHFFFAOYSA-N 444.010 5.534 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)/C=C/c1nc2ccccc2s1)c1ccc(Cl)cc1Cl 787052589 ZSDXEPGRTWYISO-ITVHKWEYSA-N 444.343 5.203 30 20 IKED C=CCOc1cc(OC)ccc1C(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 787670002 KCGOZWYQLCQOBE-UHFFFAOYSA-N 443.543 5.051 30 20 IKED C[C@H]1C[C@@H](C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)CCN1C(=O)OC(C)(C)C 796651110 PEHOCFOHMFTXGA-KCQAQPDRSA-N 433.961 5.162 30 20 IKED CN(C)C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1 801663076 GNOFCZVPAOATFF-RPWUZVMVSA-N 432.955 5.420 30 20 IKED C=CC[C@@H](NC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccncc1 806820924 ZOTPGYJQTAMJOV-QGZVFWFLSA-N 431.380 5.578 30 20 IKED COc1ccc(F)c(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)c1 814729633 ZSZZNQWESGCUML-UHFFFAOYSA-N 427.888 5.117 30 20 IKED C[C@@H](SC1=NC(=O)/C(=C/c2csc3ccccc23)S1)C(=O)Nc1cccc(C#N)c1 814774459 ZXEDQLDKQYGJMA-XTBHVRTMSA-N 449.582 5.504 30 20 IKED CCOc1ccccc1N1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 915351891 HTSFVEIPNGUVIO-DEOSSOPVSA-N 440.547 5.095 30 20 IKED N#C[C@@H](C(=O)COC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc2ccccc12 916917801 JTEFRKSKTKLPDQ-DEOSSOPVSA-N 434.495 5.293 30 20 IKED N#C[C@@H](C(=O)CCCOc1ccccc1Br)c1nc(-c2ccccc2)cs1 917026580 IITOPWUOIAKEOV-INIZCTEOSA-N 441.350 5.608 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccccc2OC(F)F)cs1 917561312 AMGPTBXWBFDKON-FLIBITNWSA-N 448.878 5.979 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc3ccccc3c(Cl)n2)cc1 917806875 YOTNYKQCXVSPNV-UHFFFAOYSA-N 427.891 5.786 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3nc(-c4ccc(F)c(C)c4)no3)n2)cc1 918491083 XMJQRNNVDRKWPN-GOSISDBHSA-N 446.507 5.425 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CC(c3ccccc3)c3ccccc3)n2)cc1 920142546 QLQUIISBFWQBAF-XMMPIXPASA-N 433.536 6.080 30 20 IKED COc1ccc(C2(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)CCOCC2)cc1 920324659 SSEPUXLHNPMPMP-NRFANRHFSA-N 432.545 5.052 30 20 IKED C[C@H](OC(=O)c1occc1CSc1ccccc1)C(=O)N(CCC#N)c1ccccc1 927806319 BQKPLBZIJMPZHF-SFHVURJKSA-N 434.517 5.064 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)Cc3csc(C)n3)cc2)CCC1 1786861069 LAQMXDSPLIKXNJ-UHFFFAOYSA-N 425.598 5.121 30 20 IKED Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)CCC#N)cc3)CCC2)c2ccccc12 1787890005 JWLHUOVNEYVKKK-UHFFFAOYSA-N 439.559 5.519 30 20 IKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)C3(F)CCC3)cc2)CCC1 1792055669 SBGPUALMYBWHAR-UHFFFAOYSA-N 428.624 5.064 30 20 IKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4c(F)ccc(Cl)c4F)CCC3)cc2)CCC1 1792234309 NFEVUKYSUJQKEQ-UHFFFAOYSA-N 443.881 5.060 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1c[nH]c3cc(C)ccc13)C2 1792573962 LDMLLJLAQHKBHT-ZCYBBPFWSA-N 433.596 5.120 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C(C)=C/c2ccc(C)o2)[C@H]1c1cccnc1 1810404408 JGWVZVOLYPVQTH-RWTLANGKSA-N 449.595 5.085 30 20 IKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc3ccc(C)cc3s2)[C@H]1c1cccnc1 1812589814 DKCQWUXLXIPUMQ-VNZMSGEBSA-N 447.604 5.137 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CCCCC2(F)F)n[nH]1 1815350869 LGRFJSULTCIGCL-AEFFLSMTSA-N 436.547 5.220 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ncccc23)n[nH]1 1818469838 WDWCEFLFXRBROY-QFIPXVFZSA-N 445.567 5.256 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)n[nH]1 1818932539 PDGCGLJMFUGUMG-YYTDSSBASA-N 438.616 5.202 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc[nH]c3cc2F)n[nH]1 1820200034 KZHYSHALTSLEJH-QFIPXVFZSA-N 449.530 5.104 30 20 IKED CC(C)=CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823218307 QPGJJTRSZFTWFZ-AVRDEDQJSA-N 433.556 5.089 30 20 IKED N#CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCCCCCCc2ccccc2)n[nH]1 1823461817 YTRFZQUHQJKUAR-HSZRJFAPSA-N 449.599 5.289 30 20 IKED Cc1ccc(-c2ccccc2C(=O)N2CCC([C@H]3CCCCN3C(=O)CCC#N)CC2)cc1 1826693511 JULSICVBJXFSGA-AREMUKBSSA-N 443.591 5.199 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CSc2ccccc2)CC1 1828822591 JZINLOCILZEBKG-ZEQRLZLVSA-N 440.653 5.167 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccccc3n2C)CC1 1828828219 FQHVMDACHDDJIA-UKILVPOCSA-N 447.623 5.180 30 20 IKED O=C(/C(=C(\S)Nc1ccc(OC(F)F)cc1)[n+]1ccccc1)c1ccc2c(c1)CCC2 10172859 JLQVTNKIJSBJID-UHFFFAOYSA-O 439.507 5.115 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2cccc(O)c2)cc1 22728251 IXMAJYKHOXFAHW-UHFFFAOYSA-O 441.960 5.091 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccc(C(C)(C)C)cc2)c(C)[nH]1 23603109 ONRDCIUVESEIIY-UHFFFAOYSA-O 434.629 5.884 30 20 IKED Cc1cccc(-n2c(SC[C@@H](C#N)CCC#N)nc3sc4c(c3c2=O)CCCC4)c1 24086700 BVRQDKMYUZNREY-MRXNPFEDSA-N 434.590 5.170 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1/C(O)=N/c1nc(CN2CCC[C@@H](C)C2)cs1 28677798 UDERIPWJYAPOQD-CYBMUJFWSA-N 430.574 5.582 30 20 IKED Cc1c(C#N)c(S[C@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nc2c1CCC2 32328292 ARTHYTKHBSTRJD-IBGZPJMESA-N 433.499 5.525 30 20 IKED Cc1sc2ncnc(SCCC(=O)Nc3cc(C#N)ccc3OC(C)C)c2c1C 115762784 OPYGVTCHPBVNAJ-UHFFFAOYSA-N 426.567 5.088 30 20 IKED CCOc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1 208896858 VXJYREIASWNSBM-XFFZJAGNSA-N 428.460 5.401 30 20 IKED C=CCn1c(SCC(=O)N[C@H](CC)c2ccc(Cl)cc2)nnc1-c1ccccc1F 218654228 IKXTXBQJQNMNSQ-LJQANCHMSA-N 444.963 5.283 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3cccc(OCC(F)(F)F)c3)c2)c1 303666466 XRQKOEMGLDBHFP-UHFFFAOYSA-N 426.394 5.331 30 20 IKED C=CCCc1ccccc1NC(=O)CCc1nc(-c2cc(Br)cs2)no1 410347008 MGMCOKMZQJDKIG-UHFFFAOYSA-N 432.343 5.251 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 429209834 VXWUYTOXUDNNAQ-RPWUZVMVSA-N 430.552 5.509 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)cc1 429602545 CNYBGCNBHBZYHL-NRFANRHFSA-N 442.441 5.043 30 20 IKED Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 432858230 IIWXQDXRGFRTFI-OAQYLSRUSA-N 432.911 5.267 30 20 IKED Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 438066114 ZACAOSPTVMWCBG-RBBKRZOGSA-N 437.609 5.502 30 20 IKED CCO[C@@H](C)c1nc(CN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cs1 438068299 RKEOGPVFNJDPTD-INIZCTEOSA-N 436.537 5.568 30 20 IKED C[C@H](COCC(F)(F)F)NC(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F 438369580 YYKQXRWCDAVONV-MRVPVSSYSA-N 440.356 5.152 30 20 IKED C[C@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)N(CCC#N)c1ccc(F)cc1 439668387 DTNJWMVYUOHHNT-KRWDZBQOSA-N 446.457 5.376 30 20 IKED N#CC1CCC(CNC(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)CC1 441628646 ADLCTMMGKLVVCW-UHFFFAOYSA-N 446.338 5.092 30 20 IKED COc1ccc(C2(NCc3cccc(OCc4cccc(C#N)c4)c3)CCOCC2)cc1F 444010818 QUILECJUKCHMJV-UHFFFAOYSA-N 446.522 5.080 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccnc(Oc3ccc(F)cc3F)c2)c1 448444076 APZZUNJMOAYBMJ-UHFFFAOYSA-N 447.397 5.448 30 20 IKED C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@H]1c1ccc(Br)c(F)c1 460394707 OSSUCEBWEUTQHS-IBGZPJMESA-N 442.336 5.159 30 20 IKED CC(C)c1cnc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)s1 461277111 OANVGTDZFHKKGN-UHFFFAOYSA-N 436.562 5.121 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 463116749 FCNYALTZJOANBO-UHFFFAOYSA-N 433.924 5.005 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)cc1 464808284 KOTWHWNQAMXKSM-WTPASJBYSA-N 432.545 5.230 30 20 IKED CCOc1cccc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)c1OC(F)F 465259141 SGELVDUWIIULOU-CQSZACIVSA-N 435.496 5.403 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)Nc2ncccc2OCCCC#N)cc1 466607828 NFYIAWJAUVDICL-IBGZPJMESA-N 444.535 5.665 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N(CCC(F)(F)F)CC(F)(F)F 468528190 CHBVJKMKQPLUHO-UHFFFAOYSA-N 428.373 5.138 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(COc2ccc(Br)cc2C#N)cs1 468890319 ISMNEXMHRJCSAF-UHFFFAOYSA-N 446.301 5.180 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)Nc3ccccc3O[C@H]3CCOC3)c2)cc1 470794614 VCUXEKGHNGUVBA-QHCPKHFHSA-N 443.503 5.143 30 20 IKED Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(Br)s1 471707060 SNNVXZMMQJTWNF-UHFFFAOYSA-N 427.323 5.522 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 475561852 MJJJJMVKKTUKKB-AOYPEHQESA-N 433.596 5.647 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 475581328 OGXXCAXDOHGUJN-UHFFFAOYSA-N 434.559 6.164 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 476681212 OUZJMACFLYWMET-UHFFFAOYSA-N 443.551 5.806 30 20 IKED N#Cc1cccc(-c2nnc(CNC3(c4cccc(Br)c4)CCCCC3)o2)c1 477643589 YCIUYAMGXCFTOP-UHFFFAOYSA-N 437.341 5.320 30 20 IKED N#CCCCn1cc(C(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)c2ccccc21 478489863 LNLMTYVKKFYJNH-LJQANCHMSA-N 449.860 5.081 30 20 IKED C=CCn1c(S[C@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)nnc1-c1ccoc1C 478513104 HWPIVPOAWDQCIX-INIZCTEOSA-N 438.336 5.346 30 20 IKED N#CC[C@H](CC(=O)Nc1nc(-c2sccc2Br)cs1)c1ccccc1 479747493 QKDJXUJNEOTGPT-CYBMUJFWSA-N 432.368 5.660 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(O)(Cc3ccc(F)cc3)CC2)cc1 480803126 JQGFDVBZMLAMCL-UHFFFAOYSA-N 445.494 5.091 30 20 IKED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 481040837 UYGSRXOOIDXIET-HTAPYJJXSA-N 439.581 5.039 30 20 IKED COc1ccc(CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C2CC2)cc1 481653574 FJHXSGJVMKJGQM-UHFFFAOYSA-N 445.494 5.481 30 20 IKED Cn1cc(-c2ncc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)s2)cn1 482218145 XYJXKHYAIMIMPZ-UHFFFAOYSA-N 435.896 5.113 30 20 IKED C[C@H](c1nnc(SCc2ccccc2C(C)(C)C#N)n1-c1ccc(Cl)cc1)N(C)C 487482252 YANJNQJWQFUIHX-MRXNPFEDSA-N 440.016 5.637 30 20 IKED C=CCn1c(SCC(=O)N(CCC#N)c2cccc(C)c2C)nnc1-c1ccccc1C 488914979 JVWKHERALDWVMK-UHFFFAOYSA-N 445.592 5.095 30 20 IKED CCOc1ccc([C@@H](CNC(=O)c2sccc2C#N)c2c[nH]c3ccccc23)cc1OC 497988079 GSYFUZPONMYPMH-LJQANCHMSA-N 445.544 5.070 30 20 IKED CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 498001249 JXGXFTVPQHBZJT-PZJWPPBQSA-N 448.567 5.208 30 20 IKED N#CCCCCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CCC2 505094937 WHAAZURJVLXQKT-CYVLTUHYSA-N 439.515 5.264 30 20 IKED COc1ccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1NC(=O)c1cccc(F)c1 506479898 ZYKYZQNKHHBQNB-UHFFFAOYSA-N 449.457 5.014 30 20 IKED C[C@H](Nc1ccc(F)cc1OCCC(F)(F)F)C(=O)Nc1ccccc1C(F)(F)F 507678587 RREOAASYVIULJK-NSHDSACASA-N 438.343 5.615 30 20 IKED COCCC[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C(C)C)c1ccc(Cl)cc1 508878365 HIXZHHRAUHNKQW-JOCHJYFZSA-N 427.976 5.342 30 20 IKED C=CCOc1cccc(NC(=O)Cc2csc(-c3cc(Br)cs3)n2)c1 509109051 KRFWYEOICQVIFD-UHFFFAOYSA-N 435.368 5.380 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1Cl 510023076 JFUXOROFSHRTLU-UPVQGACJSA-N 433.914 6.504 30 20 IKED N#Cc1ccc(-c2ccccc2)nc1SCC(=O)N[C@@H](c1ccccc1)c1nccs1 510178928 AHHZIGJUSCBIFK-QFIPXVFZSA-N 442.569 5.075 30 20 IKED Cc1cc2nc(C)c(CCC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)c(C)n2n1 510226881 FWLOAPYZYYURIS-UHFFFAOYSA-N 439.519 5.198 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 511045370 IYDSRCFQGITTIA-UHFFFAOYSA-N 446.016 6.026 30 20 IKED CC[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(Cl)c1 511437260 JFDHOPKKIRTJDZ-HSZRJFAPSA-N 433.939 6.258 30 20 IKED CN(CCOc1cccc(Cl)c1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511441429 RIUSOUKGHZIVNO-UHFFFAOYSA-N 448.910 5.007 30 20 IKED CCCCOc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1OC 515676329 GOQJDNHXRXZERF-UHFFFAOYSA-N 443.503 5.250 30 20 IKED CCCC(=O)Nc1cccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)c1 516104787 ZBMAUBMBPLHLNM-UHFFFAOYSA-N 429.545 5.378 30 20 IKED CCCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 518578032 KETGNAVQXJQYHF-UHFFFAOYSA-N 427.504 5.036 30 20 IKED C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 518921150 KWQMEISLIITIAB-OOHWJJMZSA-N 433.335 5.139 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1sccc1Br 520819399 YPADYRBUFCDVHX-GFCCVEGCSA-N 441.441 5.634 30 20 IKED C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 521090991 CAYYALRCTPOWSU-GOSISDBHSA-N 440.503 5.012 30 20 IKED CCCN(C(=O)c1cccc(OCc2ccccc2C#N)c1)[C@@H](C)C(=O)Nc1ccccc1 522198398 IQMIFSZUSRCPGJ-FQEVSTJZSA-N 441.531 5.017 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccccc2CN2CCOCC2)c1 522640897 DTESDNVSAAXKND-UHFFFAOYSA-N 447.922 5.088 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2ccccc2OC(F)F)cc1Cl 522813770 FYMLYAUVFQSRLF-IBGZPJMESA-N 426.850 5.778 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(-n4ccnc4)cc3)cc2Cl)c1 524249791 FBQCULRCLCHRMI-UHFFFAOYSA-N 428.879 5.229 30 20 IKED COc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)ccc1OC(F)F 524457600 QYBKBNMVKJAYRR-UHFFFAOYSA-N 442.393 5.139 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1NC(=O)NC(C)(C)C 524932269 WAMOXTWMGXNIHP-SFHVURJKSA-N 432.549 5.529 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)c1 525570416 CDFVASJRRPMUHK-OAQYLSRUSA-N 425.960 5.617 30 20 IKED CN(C(=O)c1ccc(C#N)cn1)[C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 530976547 IQHPZVUXPPAKNY-HXUWFJFHSA-N 440.728 5.231 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCCn2nc(C(C)C)nc21 531774570 TVANUTUFFDGFFZ-NRFANRHFSA-N 430.512 5.031 30 20 IKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)Cn4ccnc4C#N)c3C#N)C(C)(C)C2)o1 539998930 AZTDRPNUXUOECA-ALCCZGGFSA-N 443.532 5.006 30 20 IKED Cc1nc(NC(=O)[C@@H](c2c(F)cccc2Cl)N2CCCCC2)sc1SCC#N 541568807 HULNDWWAHSQSQY-MRXNPFEDSA-N 438.981 5.025 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542014185 ABJUSZKMMGTKTJ-IBGZPJMESA-N 449.558 5.317 30 20 IKED COCCN(C(=O)c1nc(-c2ccc(Cl)c(Cl)c2)oc1C)c1ccc(C#N)cc1 542863099 BIVJBCCMTPKPEG-UHFFFAOYSA-N 430.291 5.122 30 20 IKED O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CC12CCOCC2 544027941 UTKZADORRIRKFZ-STQMWFEESA-N 449.313 5.261 30 20 IKED Cc1ccc(Oc2ncccc2-c2noc(C3(C#N)CCCC3)n2)c(Br)c1 545841761 WDFNRVIPHKQOQB-UHFFFAOYSA-N 425.286 5.330 30 20 IKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccc(F)c(F)c1F 547988517 ACNXZNFGQBQDIH-UHFFFAOYSA-N 447.253 5.238 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC(C)(C#N)CC1 549656919 ROZAAAWWZSNZRG-GOSISDBHSA-N 427.980 5.395 30 20 IKED N#CC1(c2ccccn2)CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 558621444 OJNKOOUKEHDGGT-UHFFFAOYSA-N 430.939 5.045 30 20 IKED C=C(C)Cn1c(-c2cc(-c3ccccc3)nc3ccccc23)nnc1N1CCC(OC)CC1 558977681 KUCKMIZJSVWSQH-UHFFFAOYSA-N 439.563 5.352 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1 588349074 SGKYTMOYEUQXBW-QGZVFWFLSA-N 433.876 5.483 30 20 IKED CCc1cc(C#N)c(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)s1 604029004 DLHBXPLKCFTCBZ-UHFFFAOYSA-N 444.310 5.042 30 20 IKED Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(C)n1CC(F)(F)F 604248850 MUUUGZHQIIWHOU-UHFFFAOYSA-N 443.444 5.521 30 20 IKED Cc1c(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)oc2ccc(F)cc12 604433737 IOABXXRJROTJTJ-UHFFFAOYSA-N 443.478 5.847 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 604536798 BPEGUOCLDNTWFS-UHFFFAOYSA-N 442.672 5.370 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3cc(C(C)C)nc4c3c(C)nn4C(C)(C)C)[nH]c12 605363588 NAXSIZWZZJJHAD-KRWDZBQOSA-N 428.540 5.293 30 20 IKED CC(C)c1nn(C)c2sc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc12 608552898 NOLKWTITLLOBJZ-LBPRGKRZSA-N 448.495 5.877 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCOc3c(OC)cccc32)cc1 608785393 XEUUFDYRYQZYEE-HXUWFJFHSA-N 445.475 5.013 30 20 IKED CC[C@@H](c1ccccc1)c1nnc(SCCC(=O)Nc2ccc(C#N)c(Cl)c2)o1 609019348 QAEGIOVUUPROMN-KRWDZBQOSA-N 426.929 5.257 30 20 IKED CCN(CC)C(=O)[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccccc1 609387003 FHCLMPLDYJTUBE-HXUWFJFHSA-N 435.515 5.733 30 20 IKED N#CCCN(C(=O)CCC(=O)N(Cc1ccc2ccccc2c1)C1CC1)c1ccccc1 609421003 XIPJKGAQBUFJPM-UHFFFAOYSA-N 425.532 5.058 30 20 IKED C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(OCc2cccnc2)cc1 609437109 PVSXMYSFODUESR-MOPGFXCFSA-N 446.576 5.938 30 20 IKED N#C[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc(F)cc1 609602410 PVDSLFXBOHRNRT-SFHVURJKSA-N 425.803 5.174 30 20 IKED Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)N1CCCN(c2ccccc2C#N)CC1 609936533 JYUYHJUCNSHQTG-QHCPKHFHSA-N 444.604 5.134 30 20 IKED CCSc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 609945656 YOAFESJDRCMSGV-QGZVFWFLSA-N 445.544 5.278 30 20 IKED CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1 609991256 ODVZRNNAEXDWJY-GOSISDBHSA-N 426.520 5.216 30 20 IKED N#CCCn1cc([C@@H]2Nc3ccc(Cl)cc3C(=O)N2CC2CC2)c(-c2ccccc2)n1 610137404 CCGFFQUMIGDYPT-HSZRJFAPSA-N 431.927 5.094 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC(OCC3CCCCC3)CC2)cc1 610237054 WAWRFSLXXGTQDL-UHFFFAOYSA-N 432.564 5.339 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 610290467 JUMZSBKIGSPWAE-UHFFFAOYSA-N 429.867 5.145 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(N2CCc3sccc3C2)nc1 610628836 LAXHXGQRESLXQG-YADHBBJMSA-N 443.576 5.009 30 20 IKED CC(C)(C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1F 612994235 GEOUVNULADJZQM-UWVGGRQHSA-N 444.347 5.037 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2cccc(C)c2)n1CCC 617092292 OEYYSCHGNGCMHY-SFHVURJKSA-N 440.638 5.420 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1-c1ccccc1OC 617993022 JMPCHJUHIHESPO-HNNXBMFYSA-N 442.972 5.221 30 20 IKED N#C[C@H](C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 674046090 ZSIBJPDCHAEEDH-MRXNPFEDSA-N 439.418 5.364 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl 684797847 DLBZBJYVAOIGOM-HFAYUQKSSA-N 446.794 5.544 30 20 IKED CCOc1c(Br)cc(Cl)cc1NC(=S)Nc1ccc(C#N)c(Cl)c1 726453446 FWUHFYFNESTORF-UHFFFAOYSA-N 445.169 5.835 30 20 IKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc(Cl)cc2)[n+]2cccc(O)c2)cc1Cl 726570895 NFCUSMGIHUAOGD-UHFFFAOYSA-O 443.335 5.181 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1sc2cccc(Cl)c2c1Cl 726755025 YXCBISYVIDTCBH-UHFFFAOYSA-N 426.328 5.957 30 20 IKED N#Cc1cccc(COc2ccc(NC(=S)Nc3ccc(Cl)cc3Cl)cc2F)c1 728175178 KYDTZSMIEVEOES-UHFFFAOYSA-N 446.334 6.392 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C/c3csc(-c4cccs4)n3)SC2=S)cc1Cl 728609852 ACZASPRHYGKIET-UUASQNMZSA-N 446.003 5.802 30 20 IKED C[C@@H](CC#N)N(C)Cn1nc(-c2ccc(Br)cc2)n(C2CCCCC2)c1=S 728902217 LIMKVJBUKRGRMF-HNNXBMFYSA-N 448.434 5.540 30 20 IKED CC(C)(C)OC(=O)N[C@H](CCC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccccc1 729314731 RPDDRDBNTZVRDD-HSZRJFAPSA-N 433.552 5.095 30 20 IKED C=CCc1cc(CNCc2c(C)nn(Cc3ccc(C)cc3)c2Cl)cc(OC)c1OC 729683536 XWMXLCPVRNFOGE-UHFFFAOYSA-N 439.987 5.237 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2nc3cc(Cl)ccc3s2)cc1 730687503 NXGISHSKORVNRI-GOSISDBHSA-N 439.968 5.572 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)/C=C/c1ccccc1Cl 730996916 AKCATOICUWNIDI-DHZHZOJOSA-N 446.903 5.777 30 20 IKED CC(C)c1ccc2cc(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)[nH]c2c1 731071506 QXGGUWVZOVWLLQ-INIZCTEOSA-N 435.549 5.339 30 20 IKED COc1ccc2c(C)c(CCC(=O)Nc3ccccc3S[C@H](C)CC#N)c(=O)oc2c1 731332604 PBYOVHCOMYYAMZ-OAHLLOKOSA-N 436.533 5.076 30 20 IKED C[C@@H](Oc1ccccc1Br)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 732901454 SCNZBJSIWGAHEN-PWSUYJOCSA-N 435.730 5.356 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)/C(=C\c3ccco3)NC(=O)c3ccccc3)cc2)c1 732960037 WHMRCHLRMUYDQJ-KOEQRZSOSA-N 449.466 5.353 30 20 IKED C#CCN(C(=O)Nc1ccc2scnc2c1)[C@@H]1CCOc2ccc(Br)cc21 733630077 YJJSIEVGYZHMCC-QGZVFWFLSA-N 442.338 5.050 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(N3CCCCCC3)cc2)ccc1OC 733654729 TZBZMHYIYCGHQD-JOCHJYFZSA-N 436.556 5.078 30 20 IKED C[C@H](Oc1ccc(F)cc1Cl)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 733681284 SILUEGAOVOAITM-CABZTGNLSA-N 442.821 5.751 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCOc3cc(C)c(C)cc3C2=O)cs1 733748597 DNGIFVUDOFUBRJ-CPNJWEJPSA-N 432.545 5.802 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)cc1 735742933 LGUFEWQTAXKMML-FGZHOGPDSA-N 440.330 5.504 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)cc1 737503955 ZAYRMLSJOQLTML-QFIPXVFZSA-N 446.432 5.799 30 20 IKED O=S(=O)(Cc1cc(-c2ccccc2)no1)O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F 738376559 LJKIZASAVHXKLH-SFHVURJKSA-N 445.846 5.015 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC(c2cccs2)c2cccs2)cc1 738897910 WXUGMWIUDNCJKG-FQEVSTJZSA-N 429.570 6.376 30 20 IKED Cc1nc(Cl)cc(NN=Cc2c(C)nn(-c3cccc(C(F)(F)F)c3)c2Cl)n1 741766899 YMQYWBWOYBTPOH-UHFFFAOYSA-N 429.233 5.051 30 20 IKED COCCOc1ccc(C(=O)/C=C\c2cc(Cl)ccc2Br)cc1OC 742433135 QOHDOZGJAIEJTQ-CLTKARDFSA-N 425.706 5.032 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)o2)cc1 744598563 CWJXYBILRVOBMS-UHFFFAOYSA-N 448.438 5.287 30 20 IKED Cc1nn(-c2ccc(F)cc2)c(C)c1C=Nn1cnnc1SCc1ccc(Cl)cc1 744756230 RICRCDQEYAIOBI-UHFFFAOYSA-N 440.935 5.048 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3C[C@H](O)c3ccc(F)cc3)cc2)cc1 746256814 UUAUKHGVDGTHPI-BVAGGSTKSA-N 444.506 5.412 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 748632723 AYWBKTXHQGIFNM-UHFFFAOYSA-N 446.419 5.345 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)c(SC)cc1OC 749004752 GUJBPVSQEKENRT-JLHYYAGUSA-N 446.590 5.038 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C34C[C@@H]5C[C@H](C3)CC(C(F)(F)F)(C5)C4)n2)cc1 751827476 SQDQMTATMHFPMZ-FPDIXELESA-N 444.522 6.444 30 20 IKED C[C@@H](C[C@H](O)c1cccs1)NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 752256205 HCFOEGWKEJHSJA-KSSFIOAISA-N 425.485 5.185 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(F)c(C(F)(F)F)c(F)c1 759431331 INHNXKUVKOWQQD-VIFPVBQESA-N 437.151 5.252 30 20 IKED Cc1ccccc1NC(=O)C(=Cc1ccc(F)c(C#N)c1Cl)C(=O)Nc1ccccc1C 761478298 PAPBHGKPHPHBIE-UHFFFAOYSA-N 447.897 5.628 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)Nc3ccccc3SCc3ccccc3)CCO2)c1 761825006 OBOSSSKBLHPKLF-QHCPKHFHSA-N 429.545 5.456 30 20 IKED COc1ccc(Br)c(CC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1 762035501 AVJLHVJUPOZDLX-CYBMUJFWSA-N 435.730 5.140 30 20 IKED C=CC[C@H](N[C@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1)c1ccncc1 766020907 QWNWTWPXOMFSLZ-DVECYGJZSA-N 427.614 5.051 30 20 IKED Cc1cccc(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1NC(=O)c1ccncc1 773733364 YNFSBCOBYGHBJG-UHFFFAOYSA-N 446.510 5.111 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC=C(c4ccc(Cl)nc4)CC3)cn2)cc1 774024669 WRHIKQHHFYPDNC-UHFFFAOYSA-N 431.883 5.115 30 20 IKED C[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 777115779 BDSVCXJYDPECQV-MRXNPFEDSA-N 448.548 5.329 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](CC2CCC2)c2ccccc2)cc1 778166843 GNDNUPQDYDTXJH-UIOOFZCWSA-N 437.543 5.328 30 20 IKED C=CC[C@H](C(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1)c1ccccc1 778429285 VWYGYPFXXTZMSM-QHCPKHFHSA-N 448.588 6.156 30 20 IKED C[C@@H](NC(=O)Nc1ccc(CN2CCOC2=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 782559770 VFJLNSJFEJXNOU-GOSISDBHSA-N 440.503 5.060 30 20 IKED CCOc1cccc2[nH]cc(CC(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c12 783074520 IHOMGWAXEOOADF-CQSZACIVSA-N 437.471 5.387 30 20 IKED CC(=O)c1ccc(Oc2ccc(C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cc2)cc1 783341416 QQNCCAUOEXQKTN-QHCPKHFHSA-N 436.467 5.677 30 20 IKED Cc1ccc(-c2nc(C(=O)OC[C@@H](C#N)Cc3ccccc3Br)cs2)o1 786643307 VSSMSXDVVSLDOH-CYBMUJFWSA-N 431.311 5.013 30 20 IKED CC(C)(C(=O)N[C@H]1CCc2cc(C#N)ccc21)[C@H](O)c1ccc(OCc2ccccc2)cc1 787843105 JIOYZXGKDAOLBV-IZZNHLLZSA-N 440.543 5.001 30 20 IKED N#CC1(CCCOC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)CCOCC1 800108285 WLCXCTAAJHOSFP-UHFFFAOYSA-N 434.511 5.550 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(Cl)c2ncccc12)c1ccc(Cl)cc1Cl 802218849 LRVXEHCWXGBAGY-ZBEGNZNMSA-N 446.721 5.395 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl 806680101 HYPMDFQLAHWTSA-GOSISDBHSA-N 435.742 5.292 30 20 IKED C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@H](C(C)C)c2ccccc21 812180611 YSWWNPMIEQXFEC-JOCHJYFZSA-N 445.567 5.172 30 20 IKED N#C[C@H](C(=O)CSc1n[nH]c(/C=C\c2ccccc2)n1)c1nc(-c2ccccc2)cs1 914530675 NWRGEXDGBYPLFK-YUIUBULTSA-N 443.557 5.067 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)c1 916897735 RIEJZCMUQYHZHK-HSZRJFAPSA-N 439.490 5.563 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cccc(NC(=O)C2CCCCC2)c1 916908024 OVXKVCSLULFLSI-HSZRJFAPSA-N 445.563 5.291 30 20 IKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1sc2cc(Cl)ccc2c1Cl 916937772 GFQMRHVSVMDVAS-NSHDSACASA-N 441.698 5.962 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(COc3ccccc3OC)o2)cc1 916947918 CDDISRPUUHVRBT-UTKZUKDTSA-N 446.503 5.342 30 20 IKED N#C[C@H](C(=O)CCCOc1ccccc1Br)c1nc2cc(Cl)ccc2s1 917046957 YIVZBYDZVKXEDC-CYBMUJFWSA-N 449.757 5.748 30 20 IKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CC(F)(F)F)c1 917713346 JTMSTCLVNPUTHK-SFHVURJKSA-N 449.498 5.333 30 20 IKED CC(=O)N/C(=C/c1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 917877253 ZJAMSIZTIIZLSJ-LPYMAVHISA-N 431.879 5.120 30 20 IKED CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(COc2ccccc2C#N)o1 919514932 YMFMACYLLONHQS-ROUUACIJSA-N 446.503 5.428 30 20 IKED CC(C)N(CC(=O)[C@H](C#N)c1nc2ccccc2s1)Cc1cccc(Br)c1 920090437 OUWLABKDBBNPJR-KRWDZBQOSA-N 442.382 5.146 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)c2nnc(-c3ccccc3)o2)cc1C 920894101 WQRXYXXQYJRCJS-SFHVURJKSA-N 441.491 5.049 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(F)cc3NC(=O)c3ccoc3)cc2)cc1 921034727 ADWZAMKPQOFETQ-UHFFFAOYSA-N 441.418 5.587 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5ncccc5c4)cc3)CCC2)cc1 1788908645 ZJGMXAOMBYKEOV-UHFFFAOYSA-N 446.510 5.168 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3noc4ccccc34)CCC2)cc1 1789452000 YDUCAADZMQCYGQ-OAQYLSRUSA-N 443.547 5.273 30 20 IKED CCOc1ccc(Cl)cc1C(=O)Nc1ccc(C2(NC(=O)C(C)(C)C#N)CCC2)cc1 1790691448 DJAJRTIDHUFUOK-UHFFFAOYSA-N 439.943 5.036 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Cc3ccncc3)cc2)CCC1 1791039448 MPZWQCGWCPPMTB-RDPSFJRHSA-N 431.580 5.163 30 20 IKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)CCCCCC(C)(C)C)[C@H]2c2cccnc2)C1 1802413074 KVNOAKIPLYVTLK-QPPBQGQZSA-N 425.617 5.050 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)C1 1804866514 CWYGVVPYTSHGRL-UHFFFAOYSA-N 442.003 5.049 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)cc2)[C@H]1c1cccnc1 1811901286 FPVSGWDBTGVVKI-IFMALSPDSA-N 439.987 5.047 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cccc(C)c3[nH]2)[nH]n1 1814828480 CIXJFBOURMKEQX-JOCHJYFZSA-N 445.567 5.274 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](CC)c2ccccc2)n[nH]1 1816737770 ZMYSCRGOWVKDEQ-QZNHQXDQSA-N 434.584 5.364 30 20 IKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2[nH]c3ccoc3c2-c2ccccc2)n[nH]1 1820090556 CHHWJAFTCFZGGS-IBGZPJMESA-N 443.507 5.033 30 20 IKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)c(Cl)c2)CC1 1823911260 WVTYERPGQUJCSK-HSZRJFAPSA-N 429.004 5.075 30 20 IKED C[C@@H]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828906471 NWJDEEAIEPHQPB-NHTMILBNSA-N 444.736 5.093 30 20 IKED CC(C)c1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2cccc(O)c2)cc1 11262391 QQONAMAILXPIII-UHFFFAOYSA-O 425.961 5.507 30 20 IKED Cc1c(Cl)cccc1-n1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccncc1 18275035 VAYYFPBNAMHXSQ-UHFFFAOYSA-N 445.935 5.138 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)cc2C)[n+]2ccccc2CC)cc1 22729538 VJWKXMTZEAYWDP-UHFFFAOYSA-O 433.597 5.603 30 20 IKED C=CCn1c(SCC(=O)N(CC)CCCC)nnc1-c1ccc(Cl)cc1Cl 58164265 PRVAQNFBEDHLHW-UHFFFAOYSA-N 427.401 5.179 30 20 IKED Cc1nc(-c2ccc(CCNCc3cn(CCC#N)nc3-c3ccccc3)s2)cs1 237695219 JHYGDRQNNZVRJQ-UHFFFAOYSA-N 433.606 5.290 30 20 IKED CCc1cc(C#N)c(NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)s1 429011847 SGBXALWSHACJQN-UHFFFAOYSA-N 441.582 5.270 30 20 IKED Cc1cccn2cc(COc3ccccc3C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)nc12 430616367 GDGYSUQLYWWGLD-IBGZPJMESA-N 444.560 5.466 30 20 IKED N#Cc1cc(NC(=O)N2CC3(CCOCC3)C2)ccc1Oc1ccc(C(F)(F)F)cc1 432965895 IQGFBWDFRMRNDQ-UHFFFAOYSA-N 431.414 5.014 30 20 IKED COc1ccc([C@@H](CO)N(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 434219427 DHKLUOFAVLLWNE-LADGPHEKSA-N 449.938 5.201 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 437798591 LGKSEPQKLGDUCG-WHSLLNHNSA-N 447.526 6.572 30 20 IKED C[C@H](NC(=O)[C@@H](C)Nc1cccc(OCc2cccc(C#N)c2)c1)c1cc2ccccc2o1 439561565 OFQGHDVTTRIUBJ-RBUKOAKNSA-N 439.515 5.561 30 20 IKED N#Cc1nc(Oc2ccc(C(=O)N3CCc4sccc4C3)cc2)ccc1C(F)(F)F 443513471 ZQLCESDRSWRGOX-UHFFFAOYSA-N 429.423 5.024 30 20 IKED C=CCN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 443818556 VGACFKIRWNHWPM-UHFFFAOYSA-N 433.411 5.570 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)n2)cc1 444458719 PFZQESRHFULSFG-FQEVSTJZSA-N 435.508 5.603 30 20 IKED COc1cc(C[S@](=O)Cc2ccc(C)cc2Cl)ccc1OCc1cccc(C#N)c1 447088140 QSOJKNGYBXGQOG-PMERELPUSA-N 439.964 5.557 30 20 IKED C=CCN(C(=O)[C@H]1CCC(=O)c2cccn21)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 448135041 QHCBFGJHLMOCDO-GOSISDBHSA-N 446.359 5.655 30 20 IKED C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 460546470 UUTCKPYOSFMOSK-AVRDEDQJSA-N 448.567 5.135 30 20 IKED C=C(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC2(CCOCC2)CC1 460579247 WAFHBJVIDFMVOV-UHFFFAOYSA-N 448.567 5.090 30 20 IKED CCN(C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccc(C#N)cc1 461538235 CHSDKIJKWOIIEE-HSZRJFAPSA-N 431.923 5.126 30 20 IKED N#Cc1cccc(-c2nnc(N3CCC[C@H]3c3ccccc3Cl)n2C[C@H]2CCCCO2)c1 461833164 OKUYBKXSFGFQIL-OFNKIYASSA-N 447.970 5.381 30 20 IKED COc1ccc([C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)c2ccccc2Cl)c(OC)c1 466375214 RCLRVNYBBMCWAF-XMMPIXPASA-N 449.938 5.160 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(C(=O)c4cc[nH]c4)cc3)cc2F)c1 469475166 WKOLLVWPBMNSPC-UHFFFAOYSA-N 439.446 5.088 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(Cl)c(N)c1Cl 469657637 FKWHBSSVUQFNCE-UHFFFAOYSA-N 426.303 5.587 30 20 IKED C=CCC[C@@H](NC(=O)CNC(=O)c1c(F)cccc1Cl)c1ccc(C(F)(F)F)cc1 470383274 OJAKXGKFBUKTRH-QGZVFWFLSA-N 442.840 5.051 30 20 IKED CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 470426192 AEELLLCGDHOKMA-NSHDSACASA-N 444.326 5.412 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1nnc(-c2cc3ccccc3o2)s1 470530224 QSDGKCVGGQTXIB-ROUUACIJSA-N 429.505 5.255 30 20 IKED Cc1ccc([C@@H](NCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccn2)cc1 471063932 WPKBZAJUALEBNW-UQBPGWFLSA-N 430.577 5.102 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](c1ccc(C)cc1)c1ccccn1 473020980 BZHQRJQSSGFZMB-VWLOTQADSA-N 427.548 5.086 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccccc1)[C@@H](C)CN1CCOCC1 475575706 SABBGHNMBFDNHM-QFIPXVFZSA-N 435.612 5.293 30 20 IKED C=CCn1c(SCc2csc([C@@H](C)OC)n2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 476509078 BWXMQFYRYKABRO-CHWSQXEVSA-N 447.651 5.225 30 20 IKED CCOc1cc(Br)ccc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 479303112 PRGKKUUJICSESR-HKUYNNGSSA-N 428.330 5.151 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)c1 480077839 OQNJFGYBCMRCEK-RTWAWAEBSA-N 434.442 5.481 30 20 IKED CSc1nc(C2CC2)cc(-c2nc(-c3ccc(OCc4cccnc4)cc3)no2)c1C#N 481906323 RPDAOXMEKHMXBN-UHFFFAOYSA-N 441.516 5.244 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(C3CCCC3)CC2)cc1Cl 483474490 WISSRONOCGRVOR-HSZRJFAPSA-N 436.987 5.524 30 20 IKED COCCOc1ccc(Cl)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 484552958 APVJJLSQAYMTHM-SFHVURJKSA-N 426.925 5.287 30 20 IKED O=C(Nc1cc(F)cc(NC(=O)c2c(F)cc(F)cc2F)c1)c1c(F)cc(F)cc1F 485205736 MBMYVYGNJYYXJS-UHFFFAOYSA-N 442.290 5.165 30 20 IKED N#CCCC[C@@H](NC(=O)c1coc(-c2ccc(Br)cc2F)n1)c1ccccc1 487546128 VFBMUFTXLYWAFS-GOSISDBHSA-N 442.288 5.408 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(NC(=O)NCCC#N)cc2)CC1 488706166 ZMGGRRLCDIJDKE-LBZQVFOQSA-N 438.959 5.174 30 20 IKED C=C(C)Cn1c(SCCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccncc1 489450937 QNWILOLQESEOFZ-UHFFFAOYSA-N 448.379 5.344 30 20 IKED Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 490499759 RLXOIICCYKVNNC-DOTOQJQBSA-N 425.945 5.106 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NCc3cc(C#N)ccc3Br)s2)cc1 492869036 FFAZRHOLODKDST-CYBMUJFWSA-N 442.382 5.612 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 496286997 VPTJPXWKVCCYMM-UHFFFAOYSA-N 430.445 5.030 30 20 IKED CN(Cc1cccs1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 496304840 GXZBYQZAAPIWEC-UHFFFAOYSA-N 436.484 5.350 30 20 IKED N#Cc1ccc(SCC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)cc1C(F)(F)F 499490884 KWFCRMQUWVRQFW-KRWDZBQOSA-N 445.422 5.233 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 500744904 POFDBEUCEWMKQY-XMMPIXPASA-N 428.488 5.469 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1 501936614 FKEXRHNSISKYBK-UHFFFAOYSA-N 438.434 5.744 30 20 IKED N#C[C@@H](NC(=O)c1sccc1Br)c1ccc(OCc2ccccc2)cc1 505327340 TXHJKQQHWUYROR-GOSISDBHSA-N 427.323 5.084 30 20 IKED COc1cc(OC)c(NC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1Cl 505445233 WHIFGPNHRKFPSW-CYBMUJFWSA-N 448.331 5.380 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(F)cc3OCCC(F)(F)F)CC2)cc1 505846144 UFAHXHVKPMXVDE-UHFFFAOYSA-N 433.405 5.350 30 20 IKED Cc1nc(CSc2ccccc2C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cs1 505959226 FEQWTIWCKNVACV-GOSISDBHSA-N 447.507 5.757 30 20 IKED CSc1ccccc1[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 506835405 DAFHZNGJIJVPET-OAHLLOKOSA-N 449.507 5.027 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@@H](CC(F)(F)F)c3ccc(F)cc3)cc2)nc1 509278306 GQYPMNOFUXZYSD-IBGZPJMESA-N 429.373 5.308 30 20 IKED CCN(C(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1)[C@H](C)c1ccc(C#N)cc1 509588293 ZDXLSLRHNBKMQK-GOSISDBHSA-N 429.495 5.481 30 20 IKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@H]1CCCN(C2CCC2)C1 511302957 BMBFTBFFGUZXFD-UGKGYDQZSA-N 433.621 5.233 30 20 IKED Cc1ccc(SCCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 511337511 KUIFDPZMNQLBKM-UHFFFAOYSA-N 431.561 5.554 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 512958942 QSOQVKZRZZCNSD-INIZCTEOSA-N 436.949 5.781 30 20 IKED Cc1ccccc1-n1ncc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c1C(F)(F)F 513145220 YXJGFXJUXHZJHJ-ZDUSSCGKSA-N 438.331 5.103 30 20 IKED C=CCn1c(S[C@H](C)c2ccccc2Br)nnc1-c1ccccc1OC 513281026 JBGWXTQMJFYFNN-CQSZACIVSA-N 430.371 5.756 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 513530124 HWGFWFRQGKVABO-UHFFFAOYSA-N 431.945 5.083 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1NC(=O)c1ccccc1F 513673181 YCCWFXHUAPZYMQ-QGZVFWFLSA-N 429.476 5.486 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2nc(C(F)(F)F)cs2)cc1 513950975 ZUNNOHXCNWWRDM-UHFFFAOYSA-N 434.418 5.407 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCc2ccc(O)cc2C1 514890589 LIGMKMZVRYRXRM-GOSISDBHSA-N 426.520 5.026 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2cnco2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 516074906 JCDGYLVPVLCNIV-INIZCTEOSA-N 440.311 6.262 30 20 IKED Cc1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)c1NC(=O)c1ccccc1F 516465701 ZSQNNJIAGQZKIV-QGZVFWFLSA-N 429.476 5.486 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)c1C#N 517342327 DGJQHYYWBZSUIM-INIZCTEOSA-N 444.560 5.018 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N(Cc2ccc(Cl)cc2)C2CC2)cc1 518571195 VDHVOIKUROUNPJ-UHFFFAOYSA-N 445.906 5.134 30 20 IKED C[C@H](C#N)CSc1ccccc1NCC(=O)Nc1ccc(N2CCc3ccccc32)cc1 519425161 WGAKOSJKIXTEGB-LJQANCHMSA-N 442.588 5.683 30 20 IKED CCN(CC)[C@@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 519949866 NIOMJTJSIWBOBC-IERDGZPVSA-N 432.490 5.020 30 20 IKED COc1ccc([C@H](NC(=O)CCCCOc2cccc(C#N)c2)c2ccc(F)cc2)cc1 521954280 JXGVXEGOXJQFDI-AREMUKBSSA-N 432.495 5.161 30 20 IKED C=CCc1ccc(OCC(=O)N(CC)[C@@H](c2cccnc2)c2ccc(F)c(C)c2)c(OC)c1 522176111 VTNKTDJZRCILPI-HHHXNRCGSA-N 448.538 5.283 30 20 IKED Cc1sc2nc(S[C@H](C)c3ccc(C#N)cc3)n(Cc3ccccn3)c(=O)c2c1C 522822980 CMAWDELPPUEBEN-MRXNPFEDSA-N 432.574 5.243 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(OCC2CCOCC2)cc1 523006774 PSTHKQQOTMAQDQ-KRWDZBQOSA-N 425.554 5.388 30 20 IKED COc1ccc(F)cc1-c1csc(NC(=O)c2occc2COc2cccc(C#N)c2)n1 523272779 FIOZHJURICCQTR-UHFFFAOYSA-N 449.463 5.254 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccccc4Cl)n3)n2)cc1 524242893 MLEIGARGFCMDSP-INIZCTEOSA-N 446.944 5.949 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)c3ccn(-c4ccc(Cl)c(Cl)c4)n3)n2)cc1 524669758 OLVNSGBFLJOPIP-UHFFFAOYSA-N 440.315 5.427 30 20 IKED C[C@@H](CC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccccc1C(F)(F)F 525561895 DYMFRKWVZYWDCG-IVMQYODDSA-N 430.470 5.577 30 20 IKED C=CCn1c(SCc2csc([C@H](C)OCC)n2)nc2sc3c(c2c1=O)CCCC3 525624715 POFBPGLJLQXWHC-ZDUSSCGKSA-N 447.651 5.369 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC(C)(C)c1ccc(Cl)c(Cl)c1 533508230 QASFQHDIISZVKQ-AWEZNQCLSA-N 436.408 5.851 30 20 IKED C[C@@H](C#N)CN(C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C1CC1 533600743 BJTORDPSSNEETB-IQFISFIMSA-N 446.532 5.286 30 20 IKED C=C[C@@H](CC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1)c1ccccc1 533950290 SELSFYQNYNBUFN-IBGZPJMESA-N 443.522 5.714 30 20 IKED CC(C)Cn1cc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c(C(F)F)n1 535641900 CMGCFWHGTRNEJM-UHFFFAOYSA-N 444.869 6.046 30 20 IKED COc1ccccc1-c1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)n(-c2ccccc2)n1 537434427 NGHYZQJWMCZPRZ-UHFFFAOYSA-N 434.499 5.355 30 20 IKED Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 539303501 CKXJJWWCKCGPKU-IFMALSPDSA-N 433.943 5.704 30 20 IKED COCC[C@H](Cc1ccco1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 541420305 RTTMREVHXHVWSA-KNQAVFIVSA-N 437.927 5.358 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)c3cc(-c4ccccn4)ccc3Cl)n2)c(Cl)c1 542965997 GWTVTEOLXASERH-UHFFFAOYSA-N 434.286 5.365 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2cccc(C#N)c2)cc1 542995204 SBHKWBKWDZOKIU-HNNXBMFYSA-N 437.421 5.060 30 20 IKED C[C@H](O)C[C@H](CNC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccccc1 543006974 INYDMZAHGZWGDB-OUDXUNEISA-N 427.548 5.140 30 20 IKED Cc1ccc(C2CCN(C(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)CC2)cn1 544017320 YXMDALOFSJEWAI-UHFFFAOYSA-N 431.923 5.727 30 20 IKED C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)c2ccc(Cl)cc2)CC1 549271294 CQUUQURBWAJLCM-UHFFFAOYSA-N 441.000 5.259 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC2(c3ccccc3)CCC2)cc1Cl 549366792 YPVVOFRRSNSNGF-QFIPXVFZSA-N 443.934 5.130 30 20 IKED C=C(C)[C@@H](CC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F)OCC 550341985 GSCYRSVYKOEEJU-LJQANCHMSA-N 438.421 5.407 30 20 IKED O=C(c1cc(Cl)cc(F)c1Br)N1CCC(C(F)(F)F)(C(F)(F)F)C1 555886382 WVWCSFWLXSMVMJ-UHFFFAOYSA-N 442.556 5.199 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)C1CC1 559158245 OYSVBQOCERRUKX-NSHDSACASA-N 427.348 5.357 30 20 IKED C=CCC(F)(F)c1nc(CC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)no1 559978279 YFDAPYQEVVQMDG-UHFFFAOYSA-N 445.278 5.349 30 20 IKED C=CCN1C(=O)N(c2ccnc(Oc3ccccc3Cl)c2)C(=O)[C@@H]1Cc1ccccc1 561033513 OKPHZNLNWNNHTR-FQEVSTJZSA-N 433.895 5.093 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@@H](C)Cc1ccccc1C(F)(F)F 561897913 HPFJFOYODGNHRL-IRXDYDNUSA-N 449.542 5.601 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCC(=O)c1cccc(Cl)c1Cl 563458806 PRFXFMDDNLMBBY-UHFFFAOYSA-N 434.348 5.325 30 20 IKED C[C@@H](NC(=O)N1CCC[C@H](OCC(F)(F)F)C1)c1ccc(-c2cccc(C#N)c2)cc1 567075959 JEPXVIFUYDRMOF-IERDGZPVSA-N 431.458 5.039 30 20 IKED C[C@@](C#N)(NC(=O)Cc1csc(-c2cc(Br)cs2)n1)C1CCCCC1 571466409 AHJJVQUONFHYOQ-SFHVURJKSA-N 438.416 5.155 30 20 IKED Cc1cc(Br)c(NC(=O)CSc2ccccc2C#N)c(Br)c1 571608342 BVELHSZUISUEEB-UHFFFAOYSA-N 440.160 5.123 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)Cc3csc(Cc4ccc(F)cc4)n3)cc2)ccn1 576854139 VIQPCLDLECUTKP-UHFFFAOYSA-N 444.491 5.113 30 20 IKED CC[C@@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(F)c2)c2cccs2)cc1 576868697 XCJTYXUXSITIGZ-IVZQSRNASA-N 435.524 5.117 30 20 IKED Cc1ccsc1[C@H](Cc1ccccc1)NCC(=O)Nc1ccccc1SC[C@@H](C)C#N 577025612 HLFPWGRMMROHML-AVRDEDQJSA-N 449.645 5.820 30 20 IKED CCc1ccc(C(=O)CCC(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 589985909 RRWMRRDBVXFFAR-RUZDIDTESA-N 426.516 5.172 30 20 IKED CC(C)(C#N)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCCO3)cc1 602757132 FIVBUAYBYBREPV-DEOSSOPVSA-N 425.488 5.030 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C 603737761 QNXBPLUDXZKNNL-UHFFFAOYSA-N 429.568 5.296 30 20 IKED C=CCCCCCN(C)C(=O)NC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 606980582 NDWHQHSVRHOYTK-CTNGQTDRSA-N 425.539 5.476 30 20 IKED N#Cc1c(NC(=O)C2CCN(Cc3ccccc3)CC2)sc2c1-c1ccccc1CC2 608939617 ALKRSSQCMGWFMM-UHFFFAOYSA-N 427.573 5.236 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(CN4CCCC4)c3)cc2F)c1 609109869 BXPZJHAXFZFGQD-UHFFFAOYSA-N 429.495 5.124 30 20 IKED COCCn1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c2ccccc21 609164365 LYLCMRLUNNXSEF-QFIPXVFZSA-N 443.934 5.849 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc1 609298249 PFPFNDAQGUNHFF-QHCPKHFHSA-N 442.450 5.470 30 20 IKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1cccc([N+](=O)[O-])c1 609387084 KGWQYDXOTUOQQG-GFCCVEGCSA-N 438.431 5.058 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 609429233 MRGCUDWVWKJQCW-NSHDSACASA-N 434.892 5.554 30 20 IKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609433955 RXFMKDZENRSJKV-GJZUVCINSA-N 441.531 5.982 30 20 IKED CC[C@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609438872 ZMRIHOMSVAPRKR-XMMPIXPASA-N 427.504 5.289 30 20 IKED N#CCCn1cc(CNC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(-c2ccccc2)n1 609598443 KJSORCLBAJNQEE-IRXDYDNUSA-N 444.423 5.463 30 20 IKED C[C@@H](c1ccccc1)N1CCC(NCc2cccc(OCc3cccc(C#N)c3)c2)CC1 609708319 DKIBREUXXUJKLQ-QFIPXVFZSA-N 425.576 5.452 30 20 IKED CCSc1nnc(SCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)s1 609721972 LBACWLKIZLCYCL-UHFFFAOYSA-N 429.592 5.402 30 20 IKED Cc1csc(-c2cccc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)c2)n1 610036992 LDWHBFKNJQISTF-UHFFFAOYSA-N 449.586 5.386 30 20 IKED C[C@@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 610401193 VBIJCFMVVNLJRM-IAGOWNOFSA-N 430.483 5.071 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2s1 613289569 PVTQXAKRPRLLFV-CQSZACIVSA-N 443.475 6.237 30 20 IKED N#C[C@H](C(=O)c1cccc(OC(F)F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346672 NLUQMQWXUOQCQM-CQSZACIVSA-N 439.270 6.208 30 20 IKED O=C(Nc1ccc(-c2ccccc2)cc1F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618541964 PNVZTUCNPKOJEW-GASCZTMLSA-N 434.355 6.087 30 20 IKED N#C[C@@H](C(=O)c1cnc(-c2ccccc2Cl)s1)c1nc2ccccc2n1C(F)F 622977818 XSQPKWKXVRYTPG-LBPRGKRZSA-N 428.851 5.698 30 20 IKED CC[C@H](NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccccc1OC(F)F 674428577 ZKURGXPFPCGNCV-SRVKXCTJSA-N 434.327 5.121 30 20 IKED O=C(Nc1ccc(OC(F)F)c2ncccc12)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674562615 OJJROIRRBAOSJP-AOOOYVTPSA-N 443.294 5.041 30 20 IKED Cc1ccc(N(CCC#N)C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1 726940648 ODWNANUEIUMQBP-UHFFFAOYSA-N 428.319 5.836 30 20 IKED COc1ccc(-c2ccc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)c(F)c2)cc1 730169658 SXVOCNIGEJERRS-UHFFFAOYSA-N 443.503 5.673 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(c2ccc(F)cc2)CCCC1 731062576 IXGCLPJECNIUGA-KRWDZBQOSA-N 440.540 5.214 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CC3CCC(c4ccccc4)CC3)n2)cc1 731138217 YXSXPRILBDUHRK-PSGUAHCZSA-N 425.557 6.222 30 20 IKED COc1cc(C(=O)/C=C\c2cccc(OCc3ccccc3C#N)c2)cc(OC)c1OC 731318192 HAVRRJJLOFGTTP-QXMHVHEDSA-N 429.472 5.059 30 20 IKED C=CCN(C(=O)c1ncoc1C(C)C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 731960286 ZMYPEVUHBCBZBO-UHFFFAOYSA-N 429.545 6.421 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccc(OCC(C)C)cc1 733080285 ISKXPGLDEVODCN-UHFFFAOYSA-N 429.446 5.428 30 20 IKED C[C@]1(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CCCN1C(=O)c1ccccc1 735205243 BJAAFYVJCKWZET-NTKDMRAZSA-N 449.963 5.335 30 20 IKED CC1(C)C/C(=C\c2nccn2CC(F)(F)F)C(=O)/C(=C/c2nccn2CC(F)(F)F)C1 736434454 SRWFUBRTZRRGDA-FNCQTZNRSA-N 446.395 5.060 30 20 IKED COc1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c(Br)c1 740446724 CHILMIRNFOAONQ-UHFFFAOYSA-N 442.338 5.380 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)c1cccc(N2CCOC2=O)c1 740669370 ALWPYGKTMXSCGA-UHFFFAOYSA-N 431.879 5.015 30 20 IKED Cc1csc(SCc2ccccc2C(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)n1 741831596 NWJVDHBVUTVIKU-UHFFFAOYSA-N 448.529 5.023 30 20 IKED COc1ccccc1-c1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)CC(F)F)cc2)cc1 741853238 ZAGLUVKCLLDRPC-OVCLIPMQSA-N 442.483 5.297 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1nc(-c2ccc(Cl)cc2Cl)cs1 744034412 BVXSUIOFTMYLPG-RBSFLKMASA-N 449.309 6.375 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 744841017 SLUWFDLUEGSLOG-KBMIEXCESA-N 442.515 5.199 30 20 IKED CC(C)CO[C@H](C)c1noc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)n1 746025920 SNOZVBKWRLXQEV-XMSQKQJNSA-N 447.539 5.123 30 20 IKED Cc1sc2nc(CS[C@@H](C)C(=O)[C@H](C#N)c3nc(C(C)C)cs3)nc(O)c2c1C 747196757 BFTJHMDPICTDOX-STQMWFEESA-N 446.623 5.092 30 20 IKED CC1=C(C(=O)Nc2ccccc2C(C)C)[C@@H](c2ccc(C#N)s2)NC(=O)N1CC1CC1 749013169 YYXAGSTVGCJRQM-JOCHJYFZSA-N 434.565 5.132 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1 751301796 FQBBRSNYQILMOL-UHFFFAOYSA-N 449.445 5.452 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)OCc3coc(-c4c(F)cccc4F)n3)cc2)nc1 751712084 GWCLDFDNVGTYFV-UHFFFAOYSA-N 433.370 5.036 30 20 IKED N#C[C@H](C(=O)c1ccc(-n2cccc2)nc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 753400461 NTSGNNFYXRFHKO-MRXNPFEDSA-N 439.327 5.793 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCOc2c1ccc(Cl)c2Cl 753773976 LPUYKPQGALJZRF-QGZVFWFLSA-N 436.295 5.123 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 755882764 RSJGJHKQHRYSBB-UHFFFAOYSA-N 443.503 5.879 30 20 IKED Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(Br)n1 756499722 CXGCIVAFIZLPTR-LBPRGKRZSA-N 432.387 5.489 30 20 IKED C#CC[C@H](NC(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 757763307 ROLGTJCSABRJBO-QHCPKHFHSA-N 431.923 5.503 30 20 IKED C#CCCCCNC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 758630556 IMQVFIPVUAMSAJ-UHFFFAOYSA-N 439.631 5.489 30 20 IKED CC1(C)C(=O)Nc2ccc(C(=O)/C=C/c3cn(-c4ccccc4)nc3-c3cccnc3)cc21 759118724 DBFNQFZSXZDUFO-ACCUITESSA-N 434.499 5.060 30 20 IKED CC(C)(C)OC(=O)N(CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccccc1 761092181 FXCSGCWLQFICCK-MRXNPFEDSA-N 441.940 5.568 30 20 IKED CCCn1c(C)c(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)c2cc(OC)ccc21 764316131 SOEOMKADKHEAHB-UHFFFAOYSA-N 426.860 5.054 30 20 IKED COCCn1nc(C)c(C(=O)/C=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)c1C 765613594 VAZQMKAHOCWEEC-HJWRWDBZSA-N 435.471 5.185 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1nc(-c2ccc(Cl)cc2)cs1 766840758 IRXYQNCKLCNCOA-RRFJBIMHSA-N 432.854 5.861 30 20 IKED Cc1nc(C(=O)OCc2ccccc2C(C)(C)C#N)nn1-c1c(Cl)cccc1Cl 768028381 VYYIBVNRPLALRC-UHFFFAOYSA-N 429.307 5.041 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)n1 770140236 BWRZMSYUQUTNRM-INMHGKMJSA-N 426.542 5.147 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)cc1 771112878 AWTQLZQVISHTMU-VWLOTQADSA-N 443.522 5.083 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 774324108 VHSXXESONKOWEJ-SANMLTNESA-N 443.522 5.020 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2sc(C3CCCCC3)nc2C)ccc1OC 775169044 ZUYKGCRURHSMSF-SFHVURJKSA-N 427.570 5.119 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)cc1 777807287 HJHVGHPGMVLSFM-OZXSUGGESA-N 438.575 5.787 30 20 IKED C=CCCN(Cc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1)OCc1ccccc1 782665174 QFJFOQAAKLGOFK-UHFFFAOYSA-N 441.984 5.991 30 20 IKED CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 782672736 MMFCLSZHIYIZDT-UHFFFAOYSA-N 448.958 5.052 30 20 IKED C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 783071645 KRKQCFMXIHKRNW-FZKQIMNGSA-N 441.434 5.344 30 20 IKED CCn1cc(C(=O)[C@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c2ccccc21 787050366 CROXJIPBCOOMCF-GUYCJALGSA-N 428.319 5.168 30 20 IKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccsc1 790759860 UXRNAGILFWDIHN-HNNXBMFYSA-N 441.500 5.137 30 20 IKED Cc1sc2ncn(N=Cc3cscc3Br)c(=O)c2c1-c1ccccc1 794871685 MBJFCVIJQJKBKY-UHFFFAOYSA-N 430.352 5.140 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(SCc3ccc(C#N)cc3Cl)o2)C1 795249306 LTSKWVIVRPJJRV-CQSZACIVSA-N 434.949 5.001 30 20 IKED C=CCN(C(=O)c1cc(C2CC2)cnc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 796524199 HZWXEWUZCOOICI-UHFFFAOYSA-N 440.912 5.477 30 20 IKED C[C@@H]1CCCN(c2ccc(CNCc3cn(C)nc3-c3ccc(C#N)cc3)cc2Cl)C1 800275855 HTANJWAVFKDJLD-GOSISDBHSA-N 433.987 5.138 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccccc2C(F)(F)F)CC2CC2)c1 805114757 YLOCOUXUQSARHC-FQEVSTJZSA-N 445.485 5.508 30 20 IKED CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[C@H](C#N)c1nccc2ccccc12 805929426 DMDLUYGFCFMLPZ-FYYLOGMGSA-N 443.547 5.703 30 20 IKED N#C[C@H](C(=O)C1(c2cccnc2)CCCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 808979563 XBXJFGJOGVWBBO-QGZVFWFLSA-N 442.371 6.200 30 20 IKED O=C(O[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1nc(Br)ccc1F 809326597 MRMPXRWLLJSXHM-GFCCVEGCSA-N 446.116 5.462 30 20 IKED C=C(C)[C@H](NC(=O)N1CCC([C@@H](O)c2ccc(OCC)cc2)CC1)c1ccc(F)c(F)c1 812901733 BEHGFVPWZZDRLJ-ZEQRLZLVSA-N 444.522 5.136 30 20 IKED N#C[C@H](C(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1)c1cc(C(F)(F)F)ccn1 813213729 LRRLDPCVRMWUJL-INIZCTEOSA-N 426.360 5.807 30 20 IKED N#Cc1c(Br)cccc1OCc1nc(-c2ccc(Oc3ccccc3)nc2)no1 904447506 TUHDPQXZOFQCOX-UHFFFAOYSA-N 449.264 5.137 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(CCc3ccccc3)CC2)cc1 915351631 AMNASEZNCYWYMD-HHHXNRCGSA-N 438.575 5.171 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(Br)ccc2F)cc1 915353292 MOUWGXNCKHTLQZ-HXUWFJFHSA-N 438.300 5.565 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)c1 916896551 KLVGPRXWVZIZPV-IBGZPJMESA-N 444.878 5.055 30 20 IKED CCCc1ccc(C(=O)CCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 916928504 MKVIJKGLOGQHLV-KRWDZBQOSA-N 431.319 5.256 30 20 IKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(CSc2ccccc2)cc1 916937361 DEOMZWKWXUHKNV-IBGZPJMESA-N 438.911 5.733 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1 917816909 XVJZZOVKPYEQLB-UHFFFAOYSA-N 441.362 5.959 30 20 IKED Cc1c(C(=O)O)oc2c1C(=O)/C(=C/c1cccc(NC(=O)c3ccc(Cl)cc3)c1)CC2 920065653 COQZFOPYTOQDCA-LFIBNONCSA-N 435.863 5.404 30 20 IKED N#C[C@H](C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1)c1nc2ccccc2s1 920106531 RCNYVVQMQGZKBJ-XMSQKQJNSA-N 449.535 5.097 30 20 IKED CCn1c(O)nc2ccc(C(=O)Nc3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)cc21 1638825299 RSUJOPLLDGDLGS-UHFFFAOYSA-N 449.326 5.304 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4coc(Cl)n4)cc3)CCC2)c1 1787110612 VPXRCRQQMBYIGZ-OAHLLOKOSA-N 448.910 5.017 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4ncccc4c3)cc2)CCC1 1788909418 LRBGULSIVBXXRV-UHFFFAOYSA-N 425.532 5.176 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3c(C)nc4ccccn34)cc2)CCC1 1788927018 CLPCFSLFWMYDGS-JOCHJYFZSA-N 442.563 5.159 30 20 IKED C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1789207997 QADPSRXAWHGZFL-VZIBSNAFSA-N 436.577 5.057 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)C3(c4ccc(OC)cc4)CCC3)cc2)CCC1 1790484656 QUWHVPOAXNTVMV-UHFFFAOYSA-N 444.575 5.055 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)cc(F)c2F)[nH]n1 1814828322 GHRIMWUYAMJEEP-HXUWFJFHSA-N 442.510 5.071 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3ncccc3c2)[nH]n1 1819554787 OJCBZHRLZROEHI-QFIPXVFZSA-N 445.567 5.256 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCOc2ccccc2)CC1 1826363699 JZTCZKDSHHZHJZ-DEOSSOPVSA-N 440.628 5.068 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(F)c2Cl)CC1 1828827681 RGLCTEMWPJNIAF-UGKGYDQZSA-N 446.994 5.481 30 20 IKED Cc1cccc(N/C(S)=C(\C(=O)c2cc(C)n(C)c2C)[n+]2ccc3c(c2)CCCC3)c1C 10167951 SIGDAPIBMAOODX-UHFFFAOYSA-O 446.640 5.476 30 20 IKED Cc1cc(C)c(N/C(S)=C(\C(=O)c2cc(C)sc2C)[n+]2cccc(C)c2)c(Cl)c1 10178911 ZMGHOHIEEULXMV-UHFFFAOYSA-O 444.045 6.282 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc([N+](=O)[O-])cc1)=C(/S)Nc1cccc(Cl)c1 10830238 JUYMRLPHLGABQZ-UHFFFAOYSA-O 440.932 5.149 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2cccc(O)c2)cc1C 11125838 TVLQDOJZQPMPFV-UHFFFAOYSA-O 427.549 5.501 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2ccccc2C)cc1 11166373 CUBXUPOEIIUCAT-UHFFFAOYSA-O 444.407 6.203 30 20 IKED Cc1ccc(-n2c(SC[C@@H](C#N)CCC#N)nnc2-c2ccc(Cl)cc2)cc1Cl 15235459 KLENULGHRHQRQX-OAHLLOKOSA-N 442.375 6.085 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 20166901 TWOBEEBVNUWQEF-HNNXBMFYSA-N 446.498 5.193 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccccc3F)n2C2CC2)cc1 21875501 WLOLJWKBEYWJMM-KRWDZBQOSA-N 449.555 5.155 30 20 IKED Cc1ccc(C(=O)/C(=C(\S)Nc2ccccc2Cl)[n+]2ccc(N(C)C)cc2)s1 22730411 UIIUEYWDARJSIO-UHFFFAOYSA-O 431.006 5.114 30 20 IKED C[C@H](Sc1nc(-c2ccco2)nc2ccccc12)C(=O)Nc1sc2c(c1C#N)CCC2 28662815 RNZGNBDSTDTARS-ZDUSSCGKSA-N 446.557 5.431 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H](C)c2ccc(OC)c(F)c2)cc1OCC 61558161 QCLLIKQFOAQABM-AWEZNQCLSA-N 438.337 5.411 30 20 IKED O/C(CSCc1cc(-c2cccs2)on1)=N\c1nc(-c2cccc3ccccc23)n[nH]1 61621259 CCNYAGWZQAGVQZ-UHFFFAOYSA-N 447.545 5.863 30 20 IKED N#Cc1cccc(COc2cccc(CNC3(c4ccc(Cl)cc4)CCOCC3)c2)c1 237680413 NEHUHYJIAYJZLU-UHFFFAOYSA-N 432.951 5.586 30 20 IKED CCSc1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)s1 302851054 RWXWRIATKRLPSK-UHFFFAOYSA-N 435.644 5.176 30 20 IKED CC(C)[C@@H](C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)S(=O)(=O)C1CCCCC1 303125219 ACFXSJHGOIFMSR-QHCPKHFHSA-N 440.565 5.061 30 20 IKED C=CCC[C@@H](C(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1)c1ccccc1 427802240 CWJCWYPQXQFGES-XZOQPEGZSA-N 442.563 5.118 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2c(-c3ccncc3)nc3ccccn23)c1 430652115 XDTQSCZIDXZVPN-UHFFFAOYSA-N 445.482 5.099 30 20 IKED Cc1sc(NC(=O)c2ncc(C#N)cc2Cl)nc1-c1ccc(Br)cc1 431567667 ZMYXBWNMZVIRMA-UHFFFAOYSA-N 433.718 5.053 30 20 IKED Cc1nc2ccccc2n1C1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 432098792 OMJKDMIAPWUMBA-QGZVFWFLSA-N 433.581 5.466 30 20 IKED CC(C)[C@@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccnc1 435099452 VMFOBUYXEKOZJP-RUZDIDTESA-N 428.536 5.288 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccccc1 435761601 GJQYHCYFWVYBHB-RBBKRZOGSA-N 434.515 5.472 30 20 IKED N#Cc1ccc(F)c(CNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)c1 438013882 SQGSFDOJPNTBLZ-UHFFFAOYSA-N 430.361 5.225 30 20 IKED COc1ccc(CN(C)[C@@H]2CCOc3ccc(Br)cc32)cc1OCCCC#N 438477788 MNENJTDGZHZARV-LJQANCHMSA-N 445.357 5.096 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cscc2C)c1 439169741 OAFDECUZWMYQMF-UHFFFAOYSA-N 446.981 5.344 30 20 IKED CCCc1c(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)cnn1-c1cccc(C#N)c1 440058102 ADHJAXCSFKZWHL-IBGZPJMESA-N 426.442 5.371 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CC[C@H](COCc4ccccc4)C3)cc2)cc1 460522800 NCNQHUBVXWZJHJ-QHCPKHFHSA-N 426.516 5.224 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)cc1C 461189080 FDSFGSUPNOZNRJ-XUZZJYLKSA-N 426.564 5.346 30 20 IKED Cc1ccc(S[C@@H](C(=O)Nc2cnn(-c3ncccc3C#N)c2)c2ccccc2)c(C)c1 461280029 ZBOMTGXFRRXINC-HSZRJFAPSA-N 439.544 5.228 30 20 IKED C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1csc(-c2ccccc2F)n1 462808837 WNFNLOWSPYVTSB-INIZCTEOSA-N 434.540 5.705 30 20 IKED N#C[C@H](C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1cc(C(F)(F)F)ccn1 464416564 JDTPXDMYFJLQJW-ZDUSSCGKSA-N 449.841 5.558 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c1 464423738 DXNAIOCWEZBPDG-SFHVURJKSA-N 441.796 5.908 30 20 IKED C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1nc(-c2cccc(F)c2)no1 464933347 RTRFYXUMSANNKT-HNNXBMFYSA-N 444.491 5.390 30 20 IKED CCc1c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cnn1-c1ccccc1C 471730419 VOBHOHKZWCRHCJ-UHFFFAOYSA-N 437.503 5.363 30 20 IKED COc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1ccc(OC(C)C)c(C#N)c1 476443255 OEEMLVMUDUWRER-UHFFFAOYSA-N 425.872 5.223 30 20 IKED C=CCn1c(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)nnc1-c1ccccc1C 479740791 GGDKLKUOEGDRKH-UHFFFAOYSA-N 448.636 6.417 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccccc2-c2cccs2)nnc1-c1ccco1 480460434 KXBSTRQQTRJVSE-UHFFFAOYSA-N 436.562 5.574 30 20 IKED Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 480723657 AJVKBXIQKGTMOI-UHFFFAOYSA-N 438.274 5.267 30 20 IKED CN(Cc1cc(F)c(F)c(F)c1)C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482404812 WXDPSVOMLRVMLP-HNNXBMFYSA-N 442.306 5.150 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 483114116 DQNAPMDIKNSUDV-UHFFFAOYSA-N 428.430 5.154 30 20 IKED C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 483498581 CXVXJJPJOGGNEP-RTBURBONSA-N 447.560 5.264 30 20 IKED Cc1ccc([C@H](NCc2ccccc2C(C)(C)C#N)c2cccc(S(C)(=O)=O)c2)cc1 486552621 WXLVMDGSGDLAAU-VWLOTQADSA-N 432.589 5.079 30 20 IKED Cc1ccc2c(N3CCC(c4noc(C(C)C)n4)CC3)c(C#N)cnc2c1Br 488439299 NWYDWTRKQYJBDQ-UHFFFAOYSA-N 440.345 5.068 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1ccccc1C 488893707 BLZORVYKSWRYKH-SFHVURJKSA-N 431.565 5.960 30 20 IKED Cc1c(C(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)sc2ccc(C#N)cc12 498882564 YZJZWKQJBRNWQV-GOSISDBHSA-N 430.451 5.314 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 498903585 MJEHHYOELQDECI-KRWDZBQOSA-N 447.926 5.019 30 20 IKED N#C[C@@H](NC(=O)CCc1ccc(-c2ccccc2F)o1)c1ccc(Br)cc1 499433247 WBTQXQCCDKZCEH-LJQANCHMSA-N 427.273 5.162 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1nn(C(C)C)c(=O)c2ccccc12 500733981 RRTSHSVLTWPDJD-UHFFFAOYSA-N 438.487 5.202 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccoc1C 501097997 DIWHJICJJGUSAD-ZDUSSCGKSA-N 427.917 5.589 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(Cn4nc(C)cc4C)c3)n2)cc1 501307893 HRIYJNLVDWLFEW-JOCHJYFZSA-N 442.544 5.170 30 20 IKED CCCc1noc2nc(CC)cc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c12 503970583 UJAUOOJFUKNRDX-UHFFFAOYSA-N 441.491 5.357 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCc2nc3ccccc3s2)cc1 508273348 KSXLLYWSHCAFQE-UHFFFAOYSA-N 444.516 5.333 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@@H](C)c2c(F)cccc2F)cc1 508276223 SPWBGYQXEGIZMK-HNNXBMFYSA-N 437.446 5.862 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCc4[nH]c5ccccc5c4C3)c2)cc1 509915794 XYMFWECGNJNZRX-UHFFFAOYSA-N 436.515 5.403 30 20 IKED C[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1ncc(Cl)cc1Cl 510218823 VJLNVEGTFRKZNO-GFCCVEGCSA-N 429.332 5.441 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C 510268288 IGBJTZLACMZZKR-UHFFFAOYSA-N 443.334 5.248 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1 510488377 HLRHWDKHUUKRQU-UHFFFAOYSA-N 431.904 6.380 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(CN2CCC(Oc3cccc(C#N)c3)CC2)cs1 510507611 IIRANDBNEUHRQH-UHFFFAOYSA-N 446.576 5.051 30 20 IKED Cn1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(-c2cccs2)n1 511050008 FHODKQOGPCUTKU-SFHVURJKSA-N 432.936 5.710 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ccc(F)cc2)s1)c1nc(O)c2c3c(sc2n1)CCCC3 513667525 UXZBCKBRDDBANF-OAHLLOKOSA-N 449.532 5.633 30 20 IKED CCCOc1ccc2c(c1)CCN(C(=O)Nc1ccc(Oc3ccnc(C#N)c3)cc1)C2 514974706 PJJPCMFWBBNCLX-UHFFFAOYSA-N 428.492 5.125 30 20 IKED CC(=O)Nc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 515795771 GKHOWIWRJYHVFF-UHFFFAOYSA-N 434.883 5.284 30 20 IKED CC(C)[C@@H](NC(=O)c1ccccc1)c1noc(/C=C/c2cn(CCC#N)c3ccccc23)n1 516996353 OLIFUTXTCRHAOW-XIQMRYHBSA-N 439.519 5.235 30 20 IKED CC(C)Oc1cc(Br)ccc1C(=O)Nc1ccccc1S[C@H](C)CC#N 517518163 WVEWUPXKIAALQV-CQSZACIVSA-N 433.371 5.883 30 20 IKED CCOc1cc2c(cc1OCC)CN(C(=O)Nc1ccccc1SC[C@H](C)C#N)CC2 518684809 NCRVZDWHRZTPHE-QGZVFWFLSA-N 439.581 5.326 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)N[C@@H](Cc3ccccc3)c3ccccc3)CC2)c1 520621642 OEPCNOSLTMJUBW-SANMLTNESA-N 425.532 5.095 30 20 IKED COc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1OCc1cscn1 520824851 COQVWENRRSLHAF-HNNXBMFYSA-N 439.562 5.235 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1coc(-c2ccc(F)cc2)n1 520834005 QFQXWFSMOVKDTR-OAHLLOKOSA-N 441.553 5.747 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 521810630 XDTVQIBIHLXNOF-BTYIYWSLSA-N 425.554 6.193 30 20 IKED Cc1cc(OCc2ccccc2)ccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 522676700 MRBKVAGQRSULII-UHFFFAOYSA-N 435.483 5.885 30 20 IKED N#C[C@H](C(=O)c1ccc(OC2CCCCC2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 522812980 COXZAUXRBAMBGU-LJQANCHMSA-N 447.560 5.477 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)cc1 523156286 MHBAPAKAVBWWJZ-QGZVFWFLSA-N 430.470 5.337 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1nc(-c2ccco2)oc1C 523345678 HVIBLIQOWLDKEK-UHFFFAOYSA-N 429.451 5.338 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](c1nnc2ccccn12)C(C)C 523895612 UWQLNWVZHFAMTF-QHCPKHFHSA-N 440.507 5.221 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2ccc(N3CCCCC3)nc2)c1 523948464 YQPCUCFONHYLLC-UHFFFAOYSA-N 446.938 5.319 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F 524565954 KSWWBUJZPXJZHZ-OXQOHEQNSA-N 447.526 6.716 30 20 IKED CC(=O)N(c1nc(COc2cccc(F)c2C#N)cs1)c1c(C)cc(C)cc1Cl 535135036 PIKQAUYVEQTKPK-UHFFFAOYSA-N 429.904 5.688 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3CCC(F)(F)F)c2)c1 535349684 JUZMGMRRKZAUSL-UHFFFAOYSA-N 437.421 5.558 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccncc2)nc2ccccc12)c1nc2cc(Cl)ccc2s1 536200679 HHESHAFEXHLILI-SFHVURJKSA-N 440.915 6.050 30 20 IKED N#Cc1c(Cl)cccc1SCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 536736676 YAYHGYZOSRYONO-INIZCTEOSA-N 427.938 5.336 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 538508262 FCFZLYBHBLUYGD-OLZOCXBDSA-N 444.373 6.304 30 20 IKED CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)Nc1ccc(C(C)(C)C#N)cc1 539183955 QZSMSVVPDLKMEW-IFXJQAMLSA-N 430.346 5.148 30 20 IKED COc1cc(CCC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc(OC)c1OC 541071157 QWLRCXGBLVHHGW-SFHVURJKSA-N 444.531 5.061 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N[C@@H](CC(F)(F)F)c3ccccc3)n2)c(Cl)c1 541101363 OHDOPZXZVPUDHE-INIZCTEOSA-N 433.821 5.213 30 20 IKED Cc1nn(C(C)(C)C)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 541352940 FKNXUTJCMZHGJO-CQSZACIVSA-N 433.364 5.867 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NCc1nnc(-c2ccc(C#N)cc2)o1 542589740 GIPWKTLTIUUWAP-ZDUSSCGKSA-N 435.940 5.544 30 20 IKED CC(C)NC(=O)Cc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 543853027 VWVOVJVZPNZIEI-IBGZPJMESA-N 440.547 5.175 30 20 IKED Cc1cc(Cl)ccc1O[C@H](C(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 548774864 WFZZTLAYGFTHMN-DEOSSOPVSA-N 445.950 5.248 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC(OC(C)C)CC1 549246856 XQFSEEUYFOODNC-UHFFFAOYSA-N 446.595 5.494 30 20 IKED C=C1CCN(c2nnc([C@H](C)Oc3ccc4ccccc4c3)n2C[C@@H]2CCCCO2)CC1 549998639 TZUSPZMDCXLPIP-RDPSFJRHSA-N 432.568 5.297 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl 550313140 JUVCRMIOPXYHJO-HNNXBMFYSA-N 444.000 5.506 30 20 IKED N#CCCC[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)c1ccccc1 551597158 ZZBOYUPHJKTPCX-NRFANRHFSA-N 447.922 5.622 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 553105693 BZVSRQSJIFFSFW-UHFFFAOYSA-N 447.514 5.333 30 20 IKED CC(C)(CCC#N)CNC(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21 554098003 KYRZPANNSPEXRH-UHFFFAOYSA-N 429.351 5.456 30 20 IKED CN(CCc1nc(-c2ccccc2)no1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 562141059 KLZGQWNWRGQLMK-UHFFFAOYSA-N 439.475 5.107 30 20 IKED Cc1csc(Sc2ccc(C(=O)N(CCC#N)c3ccc(F)cc3)cc2[N+](=O)[O-])n1 568427018 DAKOABZSBSIMNS-UHFFFAOYSA-N 442.497 5.211 30 20 IKED N#CCCC[C@H](NC(=O)C(=O)Nc1ccccc1Oc1ccccc1Cl)c1ccccc1 574931694 FBCHJBSJYWJUMK-FQEVSTJZSA-N 447.922 5.622 30 20 IKED N#CCCCn1cc(-c2nc(-c3cccc(NC(=O)C4CCC4)c3)no2)c2ccccc21 576860379 XHAYELOAXJZEQD-UHFFFAOYSA-N 425.492 5.401 30 20 IKED N#Cc1cc(Br)ccc1CN[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 579102102 RFHPPLHJYJRCGP-OAHLLOKOSA-N 435.190 5.315 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC1(c2ccc(Cl)cc2)CCCC1 582456771 JJVKMDGDIMIDKL-MRXNPFEDSA-N 441.984 5.116 30 20 IKED C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H]1c1csc(C)n1 582575360 XALFQJJVZDEVMC-LJQANCHMSA-N 439.585 5.033 30 20 IKED CC1(C(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)CCN(c2ccc(Cl)cc2C#N)CC1 587877662 ASZRXLYEDOVOBN-QAPCUYQASA-N 441.925 5.303 30 20 IKED C[C@@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)N(c1nccs1)C1CCCCC1 590659805 WARALJJARVHCST-OAHLLOKOSA-N 426.611 5.135 30 20 IKED Cc1nc(NC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)sc1SCC#N 603908746 MNFKOFJNTMXNMO-UHFFFAOYSA-N 449.483 5.477 30 20 IKED COc1ccc(-c2nc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)cs2)cc1OC 603968321 LFJQHDZWDRAYNB-UHFFFAOYSA-N 447.541 5.680 30 20 IKED CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604457070 OFMDHNKHJNLZTM-QHCPKHFHSA-N 447.922 5.397 30 20 IKED CN(C(=O)c1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1)c1ccccc1 609164608 XBXWIHWLETWDOU-UHFFFAOYSA-N 448.482 5.274 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H](c4cc5ccccc5[nH]4)C3)c2)cc1 609209862 QFJOAWBFOCNMPO-OAQYLSRUSA-N 436.515 6.243 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(CCc3ccccc3)Cc3ccncc3)cn2)cc1 609317826 GJGVTPIPRWXUHP-UHFFFAOYSA-N 449.514 5.417 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1 609376529 DIDWKUQNALOIET-CQSZACIVSA-N 430.455 5.395 30 20 IKED C[C@@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 609387131 ONNIPKSBMBGVQR-STQMWFEESA-N 441.906 6.050 30 20 IKED COc1cc(CS(=O)(=O)Cc2c(C)cc(C)cc2C)ccc1OCc1cccc(C#N)c1 609744356 FKICYUXYLCPDHJ-UHFFFAOYSA-N 449.572 5.186 30 20 IKED COc1cc2cc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)[nH]c2cc1OC 609820048 BTWWXRLPVAEWMU-UHFFFAOYSA-N 441.487 5.082 30 20 IKED COC[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(C(F)(F)F)c1 609826800 CDSINZROFONDKN-KDOFPFPSSA-N 437.487 5.466 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H]3C[C@@H]3c3c(F)cccc3Cl)c2)c1 610142087 UIABIOMREOXPSX-RXVVDRJESA-N 448.885 5.281 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 610223421 FGQVEVNFEWMQDQ-DHIUTWEWSA-N 442.490 5.114 30 20 IKED N#Cc1cc(NC(=O)N2CC[C@@H](N3CCCC3)C2)ccc1Oc1ccc(C(F)(F)F)cc1 610331720 LGRXUYRJAGDJGM-LJQANCHMSA-N 444.457 5.071 30 20 IKED CC(C)(C)c1ccc([C@@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)C(F)(F)F)cc1 619728638 FCQAROOPAJORIV-HXUWFJFHSA-N 444.501 5.249 30 20 IKED CCN(CC)Cc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 642282235 XCBRMUPNIZUCCB-QGZVFWFLSA-N 431.483 5.647 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 642725129 WPTZPRMSAIDJCL-VXNXHJTFSA-N 430.552 5.147 30 20 IKED C[C@H](NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1csc(-c2ccccc2F)n1 643307136 UIRPSPSZZYXRKH-QJPTWQEYSA-N 440.428 6.509 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC(Cc2ccc(F)c(F)c2)C1 674618374 ILKOESLRSLQMHZ-CHWSQXEVSA-N 444.366 5.058 30 20 IKED COc1ccc(C(=O)Nc2ccc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)s2)cc1 675130486 ORVMBROFNNCWGR-GOSISDBHSA-N 427.485 5.047 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3c(F)cccc3F)n2)cc1 726321443 JYFXPMUWAWVEAC-XJKSGUPXSA-N 439.487 5.563 30 20 IKED CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 729035579 HORHCHAAJFFDPW-XMMPIXPASA-N 428.492 5.693 30 20 IKED CCN(Cc1cccc(NC(=O)c2cc3ccccc3n2CC#N)c1)C(=O)OC(C)(C)C 729316414 IADQOTYQKBTMOV-UHFFFAOYSA-N 432.524 5.174 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1 729957346 KXJJWLHKYSMBHB-UHFFFAOYSA-N 425.423 5.185 30 20 IKED N#CCOc1cccc(NC(=O)[C@@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)c1 730171792 ANUWPTRPGBQBBG-NRFANRHFSA-N 427.287 5.655 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 730896877 XYCVQWAWOGTIFH-FGZHOGPDSA-N 439.437 5.216 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc(C)c1OC(F)F 730920558 OAYRVSHHXJELLU-CYBMUJFWSA-N 427.234 5.173 30 20 IKED COc1ccccc1CC(C)(C)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 733051573 IVJXGPQOUAMGLB-OAHLLOKOSA-N 426.488 5.542 30 20 IKED CC[C@H](C#N)Oc1cccc(CNc2nc(COC)nc3scc(-c4ccccc4)c23)c1 733792701 QYEQOCVZKXSPOD-LJQANCHMSA-N 444.560 5.798 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)NC2(c3cccc(Br)c3)CCC2)c1 733848465 WUFKEBNJIBMREA-IBGZPJMESA-N 442.357 5.009 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)c1 734947123 NVJVNFXHQOZRBN-TZIWHRDSSA-N 429.973 5.021 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)cc1 735699878 AUHIQGAVODZZLE-FQEVSTJZSA-N 445.277 5.260 30 20 IKED C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1 739153797 DUPJFCJDIVUSHF-ABAIWWIYSA-N 443.252 5.853 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(COC3CCCC3)cc2)ccc1OC 740465765 RTPBSHOTTSEURU-NRFANRHFSA-N 437.540 5.157 30 20 IKED N#C[C@@H](C(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1)c1nc(-c2ccccc2)cs1 744036597 DQNVVPDAEKOILS-INIZCTEOSA-N 445.422 5.411 30 20 IKED N#C[C@H](C(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1)c1nc2cc(F)ccc2s1 744115644 LHADTSKXPRKSRQ-CYBMUJFWSA-N 437.374 5.036 30 20 IKED C#CCN(Cc1ccc(F)cc1)C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 745920981 GHSOVDRUKMMDLR-UHFFFAOYSA-N 447.457 5.313 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(COc3ccccc3)c2C)c1 746741429 WVAWDPDUYYNWTK-QFIPXVFZSA-N 429.520 5.577 30 20 IKED Cc1c(C(=O)/C=C\c2ccccc2OCc2cccnc2)nnn1-c1ccc(Cl)cc1 747614581 INBXKZBCBCNLHC-JYRVWZFOSA-N 430.895 5.099 30 20 IKED N#C[C@H](C(=O)CCCOc1ccccc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 748004468 XGSFKFYBNRMFSE-MRXNPFEDSA-N 431.344 6.152 30 20 IKED COC(=O)C[C@@H]1CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)c2ccccc21 748323538 KYRRIEQRIOVLCT-LJQANCHMSA-N 428.513 5.017 30 20 IKED CCOc1ccc([C@@H](NC(=O)Cc2ccc(OCC#N)cc2)c2cccc(Cl)c2)cc1 752383175 XUTMCKKZVLTQFL-RUZDIDTESA-N 434.923 5.089 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 752663659 WHMIXORJICYSAR-PZJWPPBQSA-N 441.000 5.197 30 20 IKED CCN(CC)c1ccc2cc(C(=O)/C=C\c3cnc(-c4ccncc4)s3)c(=O)oc2c1 753143709 YCAONRMTZKOLBM-FPLPWBNLSA-N 431.517 5.054 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccccc1SC(F)(F)F 755277099 MEBRUUMIPVWMHD-ZDUSSCGKSA-N 426.485 5.710 30 20 IKED C#CCN(Cc1csc(N(C(C)=O)c2ccccc2CC)n1)[C@@H]1CCc2ccccc21 756485294 CKEFQIIRPNHGOJ-RUZDIDTESA-N 429.589 5.513 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CC(C)(C)CC(=O)c1ccc(C)cc1 760181875 CDKIZZYDCSGSLC-QFIPXVFZSA-N 432.564 5.457 30 20 IKED C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCO[C@H](c3cccs3)C2)c1=S 765080085 ZMRTWAKDXQMXEK-KRWDZBQOSA-N 433.002 5.013 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(N2C(=O)N[C@H](Cc3cccc4ccccc34)C2=O)cc1 771903023 HMSMYFLBFVHFSM-IZZNHLLZSA-N 431.495 5.163 30 20 IKED N#C[C@@H](C(=O)CCCC(=O)c1ccc(Br)cc1)c1nc2ccccc2s1 774037485 LQCRCPQBDOIDDF-HNNXBMFYSA-N 427.323 5.288 30 20 IKED CC(C)(C)OC(=O)CCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 774057121 XCMGZGKBHQTBNK-ZDUSSCGKSA-N 425.337 5.415 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(Cl)cc1)c1nc2ccccc2o1 779197196 WNWQAUAFEDZJLT-QAKNJHSXSA-N 447.922 5.131 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H](c2cccnc2)c2cc3ccccc3o2)ccc1OC 779412306 LYUFSJXXYXLSPY-RLWLMLJZSA-N 427.504 5.397 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H](Oc1cc(Cl)ccc1Cl)c1ccccc1 780163013 GLEYWGDOOKEDSX-QRQCRPRQSA-N 441.314 6.043 30 20 IKED C[C@H](OC(=O)C1(c2ccc(C#N)cc2)CC1)C(=O)N1c2ccccc2Sc2ccccc21 781400865 KLMJHUSOHBWYOD-KRWDZBQOSA-N 440.524 5.351 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)Nc1cccc(COc2ccccc2)c1 783495876 YEADYHDDDPQJDZ-GOSISDBHSA-N 445.544 5.095 30 20 IKED COc1ccc2c(c1)CN(C(=O)Nc1ccccc1O[C@@H](C)C#N)[C@@H](C1CCCCC1)C2 787434966 XRDZHDJERVHGDL-MHECFPHRSA-N 433.552 5.525 30 20 IKED C=CCC[C@H](NC(=O)Nc1cccc(NC(=O)OC)c1C)c1ccc(C(F)(F)F)cc1 798026893 GNILMXFCRISKGD-IBGZPJMESA-N 435.446 6.021 30 20 IKED COCc1nc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(-c2ccccc2)s1 799309067 ZIFYYZBJJJZNKO-QFIPXVFZSA-N 439.540 5.864 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@H]3CC4(CCC4)Oc4ccccc43)cc2)ccn1 810280777 NNFWRIPACKQOGJ-QFIPXVFZSA-N 426.476 5.314 30 20 IKED Cc1cc(C(C)(C)C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)ccc1Br 810536797 OGKJAXSRRAEGFU-AWEZNQCLSA-N 446.295 5.656 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)cc1C#N 814677296 DAHWJOABQLTVLM-GOSISDBHSA-N 444.944 5.179 30 20 IKED CCN(CC)CCN(Cc1cccs1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915352462 LDCLPQYRPPKCEY-RUZDIDTESA-N 446.620 5.779 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 915353907 RHLCXKVWOBAUFW-VWLOTQADSA-N 432.527 6.145 30 20 IKED COc1ccc(-c2nn(-c3ccccc3)cc2C=NNCc2cccc3cccnc23)cc1 915958951 BJWNAIMKZMFKQB-UHFFFAOYSA-N 433.515 5.220 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(N3CCOC3=O)c2)cc1Cl 916057784 XPKBQVKKRPSHHB-NRFANRHFSA-N 431.879 5.204 30 20 IKED CC(C)(C)c1nnc(S)n1N=Cc1ccc(OCc2ccccc2)c(Br)c1 916308270 BVRSHMMSOXZLAH-UHFFFAOYSA-N 445.386 5.088 30 20 IKED CCCCCCNC(=O)[C@H](C#N)C(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C 916874848 LNOAPLTYTNKDRW-MRXNPFEDSA-N 437.487 5.156 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)c1 916896552 KLVGPRXWVZIZPV-LJQANCHMSA-N 444.878 5.055 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3ccc(OC)cc3)nc2C)cc1 916914484 LXOBYWPMIITXHG-NRFANRHFSA-N 447.560 5.431 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(Cc2ccc(Cl)cc2)C2CC2)c1=S 917476864 CQCIMENVXOTSGJ-UHFFFAOYSA-N 441.000 5.551 30 20 IKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920804479 RLQFTZPZSWQWNA-DYESRHJHSA-N 449.482 5.229 30 20 IKED CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1cnn(-c2ccc(F)cc2)c1C 920987534 LYMAMYBEOVNFRR-UHFFFAOYSA-N 428.393 5.118 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)COc3ccc(F)cc3)cc2)CCC1 1787728516 QKKMIRZBGGETKX-QHCPKHFHSA-N 436.527 5.107 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccoc4s3)CCC2)cc1 1790564659 KBCKMYUTTMMRMB-HNNXBMFYSA-N 439.537 5.043 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2cccc(C)c2)[C@H]1c1cccnc1 1804036720 UBRJAUUODJSYNI-AZGAKELHSA-N 447.623 5.021 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](CCC)n2cccc2)n[nH]1 1818059236 GFMGKIDQLMDSQF-HJNYFJLDSA-N 437.588 5.013 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3sccc3[nH]2)n[nH]1 1819190500 QEMHGTCXWQDVFH-HNAYVOBHSA-N 437.569 5.027 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3scnc3c2)[nH]n1 1819307231 QHWMYIMETHAIHN-YLJYHZDGSA-N 449.580 5.094 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCCC2(F)F)CC1 1823751218 MMSMJURZQLUHJM-LEWJYISDSA-N 438.603 5.424 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2scnc2C2CC2)CC1 1825643677 LYQUZRLNNQTVCL-FQEVSTJZSA-N 443.657 5.246 30 20 IKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)o2)CC1)c1ccccc1 1829031245 WIHPDTJNMKWREZ-DQEYMECFSA-N 446.591 5.019 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)ccnc2Cl)CC1 1829065965 IBNRCVOWUCDLRR-LJQANCHMSA-N 449.998 5.100 30 20 IKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(Cl)c2)CC1)C(F)(F)F 1832608995 ATRVUAFXOOQNIE-LJQANCHMSA-N 442.909 5.000 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2cccc(CC)c2)cc1 10174650 LQRCRZVLSLGPDD-UHFFFAOYSA-O 434.629 5.495 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cc(C)sc2C)=C(\S)Nc2ccc(F)c(Cl)c2)c1 10761852 QYPSKFLMXYVYDC-UHFFFAOYSA-O 433.981 5.804 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1)=C(/S)Nc1ccc(Cl)cc1 10831704 ADXZBDYDDJLTLW-UHFFFAOYSA-O 430.380 5.894 30 20 IKED C=CCn1c(SCc2ncc(-c3ccc(F)cc3)o2)nc2sc(C)c(C)c2c1=O 11149093 CFELREBMDNCIHY-UHFFFAOYSA-N 427.526 5.347 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccccc2C(F)(F)F)[n+]2ccccc2)c1 11157355 YYRYMHNYBSDVJW-UHFFFAOYSA-O 429.487 5.661 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2)c2ccccc2)nnc1-c1ccoc1C 12723870 MHVVHVNSPIMJDV-OAQYLSRUSA-N 430.533 5.505 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc3ccccc3c2)cs1)c1ccc(F)cc1F 15187998 OCLQENOJXQQBKJ-PKNBQFBNSA-N 434.467 6.155 30 20 IKED Cc1ccc2nc(-c3ccccc3)cc(C(=O)OCC(=O)Nc3oc(C)c(C)c3C#N)c2c1 21441766 KBDYGSSUBSCQEJ-UHFFFAOYSA-N 439.471 5.087 30 20 IKED CCNc1nc(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nc2ccccc12 26113873 XCFNDTIBZYAHSB-KRWDZBQOSA-N 445.573 5.154 30 20 IKED C=CCc1cc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc(OC)c1OC 32289794 XMRDEPNDYVOIAX-UHFFFAOYSA-N 428.488 5.135 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3sc4c(c3C#N)CCC4)cc(-c3ccccc3)nc21 58988317 ZQPDXQBUCWKZIV-UHFFFAOYSA-N 427.533 5.353 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2coc3cc4c(cc23)CCC4)cc1 59799119 ZENCSKLDIWNHDN-UHFFFAOYSA-N 436.511 5.748 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccccc1Cl 60477121 DLIQDGAMSAGGMH-KRWDZBQOSA-N 431.879 5.294 30 20 IKED COc1ccc(CCCNC(=O)c2ccccc2Sc2ccccc2C#N)cc1OC 65086492 YHAMQJRKUCBPMS-UHFFFAOYSA-N 432.545 5.089 30 20 IKED C=CCc1cc(CNC(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)cc(OC)c1OC 65368600 PANRTFLTXDVVIE-UHFFFAOYSA-N 448.567 5.122 30 20 IKED COc1ccc(C(=O)CCCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 108470745 QQPRXMFTUAHDDG-UHFFFAOYSA-N 429.476 5.054 30 20 IKED N#Cc1cccc(COc2cccc(CNCCCc3nc(-c4ccncc4)cs3)c2)c1 237853623 VGKUZGFCATXPJK-UHFFFAOYSA-N 440.572 5.378 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@@H](C)c2cccc3ccccc23)n(Cc2ccco2)c1C 302593323 NTYAMAXLQFTERA-SFHVURJKSA-N 426.520 5.060 30 20 IKED N#Cc1ccc(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)c(Cl)c1 430359619 NWAHNGMPKYQHIP-UHFFFAOYSA-N 431.673 5.398 30 20 IKED N#CCCC[C@@H](NCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)c1ccccc1 433019063 KYIBWILSSCAWEL-TZIWHRDSSA-N 448.617 5.512 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 433854697 PJHCEFPVMSIXPG-CYBMUJFWSA-N 425.480 5.002 30 20 IKED N#Cc1cc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cnc1C(F)(F)F 436776468 JFUXDIGKOBNBLE-UHFFFAOYSA-N 440.406 5.207 30 20 IKED N#CCC[C@H](NC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1)c1ccccc1 438850665 MXOCZJQHOLMJOH-IBGZPJMESA-N 438.984 5.884 30 20 IKED C[C@@H](SCc1ccc(C#N)cc1OC(F)F)C(=O)Nc1ccccc1Br 439537165 QDSWOKAQOALPCW-LLVKDONJSA-N 441.297 5.183 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccc(C(=O)N(C)C)cc1OC)c1ccc(C(F)(F)F)cc1 442214791 NNSBRESUWGWKPR-SFHVURJKSA-N 449.473 5.245 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC[C@H](CNC(=O)CCC)C1)c1ccc(C(F)(F)F)cc1 442288649 DOZLJDSVLUTRHF-YLJYHZDGSA-N 439.522 5.051 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1CC(C)(C)CCc2ccccc21 443116304 CCEWEAPHUPGYGC-UWJYYQICSA-N 435.593 5.097 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCCC(=O)c1ccc(Br)cc1 446025958 LQQIQHIQOBRABY-UHFFFAOYSA-N 427.342 5.111 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccnc1-c1ccc(Cl)s1 446563860 IRRKBQACUXSIRS-UHFFFAOYSA-N 426.929 5.016 30 20 IKED CSc1nc(O)c(C(=O)Nc2ccc(Cl)cc2-c2cccc(Cl)c2)cc1C#N 447624455 NMZYNOJNXUGXAL-UHFFFAOYSA-N 430.316 5.607 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)Cc1coc(-c2cccs2)n1 460174280 SNRAMRARUSRYAB-UHFFFAOYSA-N 433.920 5.704 30 20 IKED C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1csc(C)n1 460782155 ICPQUWJKHNWTHB-LJQANCHMSA-N 446.045 5.906 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3nc4ccc(Br)cc4o3)o2)cc1 460881107 MJXBWVBGKRKSQC-UHFFFAOYSA-N 444.310 5.497 30 20 IKED Cc1ccc([C@@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)cc1 461673639 WDSYJTLSUMMTCY-ZEQRLZLVSA-N 427.552 5.036 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)NCCc2cccc(C#N)c2)nc1-c1ccccc1 466824310 HTPHBIYUYITWJC-JOCHJYFZSA-N 428.536 5.426 30 20 IKED C[C@H](c1nc2ccccc2n1C(F)F)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 470995865 QEDLDWJHUKJRAL-FOIQADDNSA-N 429.902 5.028 30 20 IKED Cc1ccc([C@H](NCC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccn2)cc1 471063929 WPKBZAJUALEBNW-CLOONOSVSA-N 430.577 5.102 30 20 IKED Cc1ccc(SCC(F)(F)F)c(NC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)c1 471912515 WLZSBQXKIURLIR-KRWDZBQOSA-N 448.514 5.080 30 20 IKED COc1ccc(-c2cc(NC(=O)C[C@@H](CC#N)c3ccccc3)ccc2OC(F)F)cc1 474418103 RHAQBOQQZCUJAG-LJQANCHMSA-N 436.458 5.990 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1F)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 475597878 YOHPMXIXFLBKCR-INIZCTEOSA-N 436.327 5.469 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1 477879825 OUJFYFFOEJOZND-NOZRDPDXSA-N 439.515 5.050 30 20 IKED CCCCn1ccnc1-c1cccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 477972407 DFVOEMYQVPCWRF-UHFFFAOYSA-N 443.551 5.297 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(CCN2CCCC[C@H]2C)CC1 478792222 ZYSIZOVOUWHHIA-WOJBJXKFSA-N 428.646 5.447 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 481973903 ATXBHKXZUKZRIC-SFTDATJTSA-N 439.441 5.195 30 20 IKED COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)[C@H](C#N)c1nccc2ccccc12 483233617 JBSNLFIRYRUEJU-HSZRJFAPSA-N 444.494 5.586 30 20 IKED N#C[C@H](C(=O)c1ccc(COC(F)(F)F)cc1)c1nc(-c2ccc(Cl)cc2)cs1 483466312 WHAAWFFDTPZACA-MRXNPFEDSA-N 436.842 5.990 30 20 IKED COc1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)cc1OCC(F)(F)F 486178635 QSKUKKTUDGBTEF-HNNXBMFYSA-N 440.315 5.201 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2nc(Cc3cccc(F)c3)no2)cc1 488208505 DMTKLAMTBHWCBT-UHFFFAOYSA-N 430.458 5.013 30 20 IKED C=C(C)Cn1c(SCc2csc(-c3ccc(Cl)cc3)n2)nnc1-c1ccncc1 489395499 QKKZJAHYYSQMTQ-UHFFFAOYSA-N 439.997 5.985 30 20 IKED CC(C)c1ccc([C@@H](NS(=O)(=O)Cc2cc(C#N)ccc2F)c2cccs2)cc1 500819248 URGHSKUDMMQYLX-JOCHJYFZSA-N 428.554 5.091 30 20 IKED Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2nc(-c3cccc(C#N)c3)cs2)s1 502365276 JMVHSSOMQKOYHF-UHFFFAOYSA-N 437.546 5.003 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](c1ccccc1)c1cccnc1 503369743 UVBNYNQGTUKVMS-HHHXNRCGSA-N 448.526 5.752 30 20 IKED C=CCn1c(S[C@@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)nnc1-c1cccnc1 503711815 NZDHYPLCECIGHI-XMMPIXPASA-N 440.572 5.859 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])cc1 505702963 IQJBFHGEFBVINP-UHFFFAOYSA-N 435.461 5.242 30 20 IKED N#C[C@@H](NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1Cl 505708109 WPBYKYMECFZBNA-QGZVFWFLSA-N 435.858 5.406 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnc(Cc2ccccc2F)s1 506622681 AKVJEUZSGPTXKH-UHFFFAOYSA-N 444.491 5.493 30 20 IKED CCC[C@@H](NC1CCC(C#N)(c2ccccc2)CC1)C(=O)Nc1cccc(N2CCCC2)c1 507660163 MHEGPFSLKGNSIM-KJIXGKQBSA-N 444.623 5.388 30 20 IKED C=CCN(C(=O)c1cc(Cl)ccc1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 509804833 RPAQGSITOJBGDF-UHFFFAOYSA-N 446.981 5.008 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@@H](c1ccccc1)C1CCCC1 510189027 HWORMVTWUWDMBB-VWLOTQADSA-N 446.620 5.195 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 510823885 HPVXTPNWZRMAGY-LVXARBLLSA-N 441.531 5.948 30 20 IKED CCCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 511494674 LSRRKLATOZIYDG-UHFFFAOYSA-N 442.519 5.178 30 20 IKED C=C(C)CN(Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1)Cc1ccc(CO)o1 512195869 NZWDOFUYWCEJGM-UHFFFAOYSA-N 439.581 5.108 30 20 IKED C[C@@H](c1cccs1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 518149241 HBDIIJZPTVQDJC-KXBFYZLASA-N 437.952 5.215 30 20 IKED C[C@@H]1CCCN(Cc2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cc2)C1 518901942 DOWGDNQSEFDLJW-LJQANCHMSA-N 426.520 5.230 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC(C)(C)c2ncccc2C)cc1 519619506 ZTLPYZPVCHPXMW-UHFFFAOYSA-N 430.508 5.162 30 20 IKED Cc1c(NC(=O)CCCCOc2cccc(C#N)c2)cccc1C(=O)Nc1ccccc1 520327708 QYYGOKFCFSKLIP-UHFFFAOYSA-N 427.504 5.307 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(Br)s3)cc2)cc1 520600912 UQJUSVWFBIICRK-UHFFFAOYSA-N 428.311 5.496 30 20 IKED COc1ccc2[nH]cc(C3CCN(C(=O)Nc4ccccc4SC[C@@H](C)C#N)CC3)c2c1 521747367 UKTWVHUICBNGQA-KRWDZBQOSA-N 448.592 5.840 30 20 IKED CCOc1cccc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 523222031 KAWJKYZRJBEETJ-LJQANCHMSA-N 431.511 5.569 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1 523957434 YJTGATSJHFNAHA-MHZLTWQESA-N 439.515 5.292 30 20 IKED CC1CCC(OC2CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)CC2)CC1 524489189 WSSFRNCXPKPNRW-UHFFFAOYSA-N 432.564 5.337 30 20 IKED C=CCCCCCN(C)C(=O)Nc1ccc2c(c1)N(C(=O)Cc1cccc(OC)c1)CC2 524829560 MKWYLTXLMIDEIB-UHFFFAOYSA-N 435.568 5.037 30 20 IKED Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)N(C[C@H](C)C#N)C1CC1 533597581 BMIPMCIGSFTBFA-MRXNPFEDSA-N 433.531 5.888 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ncn(C3CCCCC3)n2)cc1 541793135 UYYLCFHVLDYDRG-UHFFFAOYSA-N 432.503 5.028 30 20 IKED COc1cc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc(OC)c1OC 542985983 FPTUYZHMAZNGNX-MRXNPFEDSA-N 431.492 5.134 30 20 IKED CO[C@H](C)c1nc(Cc2noc(-c3ccc(Oc4cccc(F)c4C#N)cc3)n2)cs1 545117126 HROFWGFCMNFKBP-CYBMUJFWSA-N 436.468 5.294 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC[C@@H](COCC)C1 549280655 QTBNLJCOHXFEPM-JOCHJYFZSA-N 446.595 5.353 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 549689975 FHYJVJNFCQZGPV-XWGVYQGASA-N 432.543 5.232 30 20 IKED O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)Nc1ccc(F)cc1C(F)(F)F 551398543 SYICLIDCRQIMDP-UHFFFAOYSA-N 444.738 5.145 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@@](C)(C#N)C1CCCCC1 555904265 LUVLXLVPBLVXGL-QFIPXVFZSA-N 429.973 5.555 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 558383211 QTOJZERUPCPERV-UHFFFAOYSA-N 439.947 5.915 30 20 IKED N#Cc1ccc(-c2nnc(N3CC[C@H](c4cccc(F)c4)C3)n2Cc2cccs2)cc1 559165814 OTWBSMHQTLSKOJ-FQEVSTJZSA-N 429.524 5.060 30 20 IKED N#Cc1cccnc1OC1CCC(NC(=O)c2ccc(-c3cccc4cccnc34)cc2)CC1 560659841 VYPLACMPXUUFEM-UHFFFAOYSA-N 448.526 5.288 30 20 IKED C=CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 562018237 UMHRAMSRRBTHIM-IBGZPJMESA-N 429.490 5.026 30 20 IKED CN(CCc1nc(-c2ccccc2)no1)C(=O)c1ccccc1Sc1ccccc1C#N 570833692 AJEXDSPZULAKAA-UHFFFAOYSA-N 440.528 5.074 30 20 IKED CC(C)c1cc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)n(-c2ccccc2)n1 572892752 QXECVAAPQGPJBV-UHFFFAOYSA-N 447.514 5.082 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 588235339 BRYHCBCOAQZUKX-UHFFFAOYSA-N 430.512 5.133 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)c2C#N)C1 590613651 ZUZBJERCOYFWJH-ZDUSSCGKSA-N 425.941 5.624 30 20 IKED O=C(c1ccc(-c2ccc(F)cc2)cc1F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 591956294 XVZRUWOOVMZJQF-ZIAGYGMSSA-N 437.330 5.835 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)c2C#N)C1 602755011 DTXHJHKTAPYLNM-VGOFRKELSA-N 443.572 5.244 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2ccccn2)n1 603533005 LJTPMDYXOWTGPR-UHFFFAOYSA-N 442.519 5.300 30 20 IKED CSc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1NC(C)=O 603784760 MKVVEAUCBMWBGH-HXUWFJFHSA-N 449.963 5.928 30 20 IKED Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604003564 JHDZSGGDBVRBIN-UHFFFAOYSA-N 443.528 5.538 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc(-c4cccc(Cl)c4)on3)c2)c1 604181653 CBPBPTZFTSZUFB-UHFFFAOYSA-N 442.862 5.371 30 20 IKED Cc1ccc(N2CCC(C(=O)N(Cc3cccc(C#N)c3)c3ccc(F)cc3C)CC2)nc1 604387660 HVFQTFLHNFDGRS-UHFFFAOYSA-N 442.538 5.159 30 20 IKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc(C#N)c(C)n1 604449420 YNNHKUFWEGJVEM-UHFFFAOYSA-N 438.409 5.094 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](CC)C(=O)c1ccccc1 606150370 RJKAMMSBOCLSDT-IBGZPJMESA-N 427.957 5.450 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)CCCc1cc(-c2ccccc2)no1 606777099 YMZDNTLVVKFRJI-UHFFFAOYSA-N 444.453 5.630 30 20 IKED Cc1ccccc1CN(Cc1cccnc1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 609059245 CTWVZUYKJLZRDM-UHFFFAOYSA-N 437.499 5.276 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Oc4ccncc4)c(Cl)c3)o2)cc1 609060168 UFKOGKAVMIOFEU-UHFFFAOYSA-N 445.862 5.823 30 20 IKED CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 609147576 KPTHFFMHFJPLOY-UHFFFAOYSA-N 431.452 5.096 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)N[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 609221899 JLHGQVRRYPJNFN-GXTWGEPZSA-N 442.947 5.461 30 20 IKED Cc1oc(-c2ccsc2)nc1CSCC(=O)Nc1ccccc1S[C@H](C)CC#N 609389226 FTKIEECEZSLXRW-CQSZACIVSA-N 443.619 5.978 30 20 IKED COc1cc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OC1CCCC1 609435366 JTKIVXZZHDLHPI-QGZVFWFLSA-N 439.581 5.733 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N(Cc3ccco3)C3CCCC3)cc2F)c1 609469528 RDFHYABSBVUHBB-UHFFFAOYSA-N 433.483 5.846 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@H](Cc4ccc(F)cc4)C3)cc2F)c1 609929396 XKPZNDIXBUANRV-HXUWFJFHSA-N 447.485 5.512 30 20 IKED CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1 609989247 MPCRWIHFMLWMRX-UHFFFAOYSA-N 446.938 5.688 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2cc(F)ccc2F)n(Cc2ccc(F)cc2)c1C 610165038 PIOASAADYMCGQF-UHFFFAOYSA-N 429.467 5.173 30 20 IKED CCOc1ccccc1Oc1ccc(CN=c2c(C#N)c[nH]c3c(F)ccc(F)c23)cn1 610273560 ORHONRFNAMPDBY-UHFFFAOYSA-N 432.430 5.005 30 20 IKED C[C@@H](NC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1)c1cccc(C#N)c1 610324368 DBFGPCQREJPOIW-CLOONOSVSA-N 438.531 5.418 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 612220458 RKLRURYMOUBSCW-SFHVURJKSA-N 435.380 5.276 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3C(=O)c3cccs3)n2)cc1 613318288 UOSDCXXZZVBOJG-IBGZPJMESA-N 428.538 5.901 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3Cc4ccc(F)cc43)s2)c(C(F)(F)F)c1 619429850 FCNSXSTYZCSWAU-QGZVFWFLSA-N 431.414 5.042 30 20 IKED C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(C(F)(F)F)c3)n2Cc2cccs2)C1 619854983 YJACKUBQJIEKKM-FQEVSTJZSA-N 431.487 5.204 30 20 IKED C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 681511301 GIAPAUDVBQTOCH-FYLLDIAZSA-N 428.339 5.268 30 20 IKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1C1CCCC1)c1cccs1 726419667 GHVIQJSYRIHEJG-ZLWLIRGASA-N 427.595 5.081 30 20 IKED CCC(=O)c1ccc(OCCCCC(=O)N2CCSC2=Nc2ccccc2OC)cc1 727662526 UJQAKKPZVJVDOL-UHFFFAOYSA-N 440.565 5.100 30 20 IKED N#C[C@H](C(=O)COc1ccccc1OCC(F)(F)F)c1nc2cc(Cl)ccc2s1 727954987 XUSNMPNLFGNAHX-GFCCVEGCSA-N 440.830 5.146 30 20 IKED C[C@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1ccc2ccccc2c1 728110223 XMDMHPRTUCIISP-KRWDZBQOSA-N 440.455 5.067 30 20 IKED N#CCCn1cc(C(=O)COC(=O)c2ccc(SC(F)(F)F)cc2)c2ccccc21 729952521 FFWSJPXZVRALRG-UHFFFAOYSA-N 432.423 5.207 30 20 IKED Cc1cc(C)nc(NN=C2CCCc3nc(-c4ccccc4Br)sc32)n1 730431526 ZTCSIFPKLUISFO-UHFFFAOYSA-N 428.359 5.132 30 20 IKED O=C(/C=C/c1ccc(OCc2occc2C(=O)O)cc1)c1cccc(Br)c1 730950254 BRPFOZJIAVSHSC-RMKNXTFCSA-N 427.250 5.215 30 20 IKED Cc1ccc(Cl)c(NC(=S)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1Cl 731318400 LUFVIORLMNIQOA-UHFFFAOYSA-N 428.344 6.775 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](c2oc3ccccc3c2C)C(C)C)ccc1OC 733650057 IRWKQXMODXYQJM-DVECYGJZSA-N 449.551 5.627 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)c1 733774171 BBWQEELCZHVWQP-IBGZPJMESA-N 435.549 5.208 30 20 IKED Cc1cc(CNC(=O)OC(C)(C)C)ccc1N(C(=O)CCc1ccc(C#N)cc1)C1CC1 741740053 HYRCWXBQVVJCMO-UHFFFAOYSA-N 433.552 5.020 30 20 IKED CSc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1F 741847464 OCMSBJCNRZACNP-YFHOEESVSA-N 426.538 5.893 30 20 IKED Cc1c(C(=O)/C=C/c2ccc(-n3cncn3)c(F)c2)cnn1-c1ccc(Cl)cc1Cl 743055399 CUBZLIQBUVXKDV-XVNBXDOJSA-N 442.281 5.103 30 20 IKED CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccccc1SCC#N 743919038 WHMORAVGOLYXSH-UHFFFAOYSA-N 436.556 5.316 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3cc(C(F)(F)F)ccc3n2C)cc1 744034036 YLEQQLJMYWQJQK-IFXJQAMLSA-N 441.453 5.672 30 20 IKED CCOc1ccc(O)c(C=Nc2ccc(Oc3ccccc3S(=O)(=O)CC)cc2)c1 745976521 JIZBSAAFXWFINU-UHFFFAOYSA-N 425.506 5.127 30 20 IKED Cc1nc(C(C)(C)C)sc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 747112097 PKSDSCCHABYWBS-KRWDZBQOSA-N 433.533 5.503 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)n1 747196770 BIPCLHMHWVOFKQ-ZYHUDNBSSA-N 427.751 5.326 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)n1 747197354 FJBOQCAUDZPIEY-OAHLLOKOSA-N 435.496 5.828 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2cc(-c3ccc(OC)cc3)cs2)c1 747583215 IVKPWZFFTDMTLP-FQEVSTJZSA-N 435.549 5.104 30 20 IKED C=CCC[C@H](NC(=O)c1ccc(S[C@@H]2CCOC2=O)cc1)c1ccc(C(F)(F)F)cc1 750517418 MTBCWNOCQROFMC-VQTJNVASSA-N 449.494 5.550 30 20 IKED CCOC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)cc1C#N 752800261 TVCKIAAKQVESSX-KRWDZBQOSA-N 444.491 5.358 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCCSc2nccs2)cc1 759591117 VPUHYAPAZUZCBL-UHFFFAOYSA-N 440.569 5.048 30 20 IKED C#CCOc1ccc(NC(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)cc1 761646517 XOWGQRPKDOVFMX-UHFFFAOYSA-N 433.335 5.219 30 20 IKED COc1ccc2c(c1)[C@H](C(=O)[C@H](C#N)c1nc(-c3ccc(Cl)cc3Cl)cs1)CC2 763944152 NSXRKTBYNDUBTF-QAPCUYQASA-N 443.355 6.032 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3Cc4ccc(Br)cc4C3)c2)cc1 765177323 DDSJYYFGJWOHLF-UHFFFAOYSA-N 434.293 5.661 30 20 IKED COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1ccc(O[C@H](C)C#N)cc1)CC2 768180936 RJSCSEMHLFAASN-WINIVTDRSA-N 428.532 5.142 30 20 IKED CN(CCC#N)c1ccc(CN2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 769305728 LYSDJUANEJIRFY-HXUWFJFHSA-N 435.959 5.119 30 20 IKED N#C[C@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)c1nc(-c2ccccc2)cs1 769943755 ADOBMFJDYSNBMG-FNTDYBJHSA-N 432.854 6.286 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 772637875 QNFXOFXOAWGNAQ-HNNXBMFYSA-N 437.286 5.174 30 20 IKED C[C@H](CSCc1ccccc1)C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 772966295 ZLDPLQNKYQFAMC-RHSMWYFYSA-N 437.590 5.021 30 20 IKED COCCc1nc(C)c([C@@H](C)OC(=O)c2ccc(OCc3ccccc3C#N)cc2)s1 773913626 RLEYQHRPILWHOL-QGZVFWFLSA-N 436.533 5.009 30 20 IKED COc1ccc(NC(=O)[C@H](OC(=O)/C=C\c2ccccc2C#N)c2ccccc2)cc1Cl 775062967 HWDNJRAQQHVMDA-ABQONYIQSA-N 446.890 5.157 30 20 IKED CCCN(C(=O)Cc1cccc(OCC#N)c1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 776966973 RDMFQJLYMQDYCL-SANMLTNESA-N 431.511 5.002 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(OCc4ccccc4)ccn3)n2)cc1 779194200 LEFJDPCQDIIQRC-OAQYLSRUSA-N 441.512 5.283 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)CSc1ncnc2scc(-c3ccccc3)c12 780153841 YOPLUJHYYNVESX-OAHLLOKOSA-N 446.557 5.380 30 20 IKED N#CCC1CCN(C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)c2cccs2)CC1 782054609 IVVXZKPKAKSUPD-NCELDCMTSA-N 442.584 6.020 30 20 IKED CC(C)(C#N)CCCOC(=O)c1sccc1NC(=O)c1ccc(Br)cc1 782943082 UPJRIMJPQJRTES-UHFFFAOYSA-N 435.343 5.250 30 20 IKED COC(=O)Nc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1F 783080942 NKVUGQPNIKWHTP-UHFFFAOYSA-N 439.830 5.574 30 20 IKED CC(C)c1ccccc1-n1c(-c2cccnc2)nn(CN2CCC[C@](C)(C#N)C2)c1=S 784011809 DTQHWVBSEUOFCM-XMMPIXPASA-N 432.597 5.172 30 20 IKED CC[C@H](NC(=O)[C@@H](C#N)C(=O)c1cc2cc(C)cc(Br)c2o1)c1ccccc1 787034389 LADVSMCUCAXULE-WMZOPIPTSA-N 439.309 5.094 30 20 IKED C[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1nc(C(F)(F)F)cs1 787265293 ZGNGJYDCQKQGAM-NSHDSACASA-N 436.484 5.322 30 20 IKED Cc1cc([C@@H](CC(=O)O[C@@H](C#N)C2CCCCC2)NC(=O)OC(C)(C)C)cc(Cl)n1 788217123 DYYFRHZZYDHSCQ-MSOLQXFVSA-N 435.952 5.015 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 789718411 GZGKFKLFRXHAAX-UHFFFAOYSA-N 439.606 5.419 30 20 IKED Fc1cccc(Br)c1C=Nn1cnnc1SCc1ccc(Cl)cc1 794481019 BXUHXQUMBXWYPJ-UHFFFAOYSA-N 425.714 5.008 30 20 IKED CCOc1c(Br)cc(/C=C/C(=O)c2cc3c(C)nn(C)c3s2)cc1OC 806578501 HILBIRQSANMTJS-VOTSOKGWSA-N 435.343 5.009 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1cccc(Br)c1 813065012 UEAKVQVJRXOGMB-BXUZGUMPSA-N 447.304 5.831 30 20 IKED CCCOc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC 915354113 VUMABDFUBXAVPM-HSZRJFAPSA-N 429.520 5.461 30 20 IKED N#Cc1cccc(COc2cccc(NC(=S)Nc3cccc(Br)c3)c2)c1 916000769 PXCCNRHBZXFWGL-UHFFFAOYSA-N 438.350 5.709 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1-n1cccc1 916887409 OBGPJFFPFFBBCD-GOSISDBHSA-N 425.460 5.062 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 916898771 GATWWZFRHLBEHC-IBGZPJMESA-N 443.553 5.550 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccccc2Cl)o1 916902484 YJRTTYIMWCRCCK-AWEZNQCLSA-N 443.286 5.532 30 20 IKED N#C[C@@H](C(=O)CSCc1cccc(Cl)c1)c1nc2cc(C(F)(F)F)ccc2s1 917044275 SDCDXCXKQGXVFC-AWEZNQCLSA-N 440.899 6.078 30 20 IKED Cc1ccc(Cl)c(O[C@H](C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 917044325 QZQAUIXEHQAABH-YPMHNXCESA-N 438.858 5.921 30 20 IKED N#C[C@@H](C(=O)CCCc1nc(-c2ccc(F)cc2)no1)c1nc2cc(Cl)ccc2s1 917046456 CXRVUVGVJJPYIW-HNNXBMFYSA-N 440.887 5.338 30 20 IKED N#Cc1ccc(CN[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)cc1 917935215 WCLNURCSYZMFCP-NRFANRHFSA-N 443.856 5.700 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)s2)cc1 920105402 FTCXTWDAUCJCPA-IBGZPJMESA-N 443.528 5.512 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 920106152 LEMJBWGDDCLJMI-HXUWFJFHSA-N 436.515 5.272 30 20 IKED N#C[C@H](C(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1nc2cc(Cl)ccc2s1 920875733 AVGGJDBYSZCTGB-MRXNPFEDSA-N 441.940 5.555 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(F)c(F)c3Br)CCC2)cc1 1791593171 HZJZCIUTHPWJGK-UHFFFAOYSA-N 449.295 5.051 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccnc4ccccc34)CCC2)cc1 1791727365 HUUJQZNAFRMFOU-UHFFFAOYSA-N 425.532 5.176 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccnc3ccccc23)[nH]n1 1814829133 LUCHVIUJJVHSIX-QHCPKHFHSA-N 443.551 5.032 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)c2cccs2)[nH]n1 1814830209 SEBSBBQDFOHQII-VQIMIIECSA-N 426.586 5.035 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccnc3ccccc23)[nH]n1 1819305075 CBPGTVJAFMOHMT-JPYJTQIMSA-N 443.551 5.032 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccsc3[nH]2)n[nH]1 1821433698 MDKGPOKJZCENFH-LJQANCHMSA-N 437.569 5.027 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc(CCCCC)s2)[nH]n1 1821925001 KXEXHSHTUGHKFK-FUHWJXTLSA-N 443.617 5.117 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)ccc2C)CC1 1830625594 UAIKZYCXVBBEPI-ILBGXUMGSA-N 438.612 5.005 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1 1832028654 UAYREGVIWUIXOQ-DZWGLGNASA-N 440.672 5.406 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)nnc1-c1ccccc1 11056600 PWRHLSWMYBCEHM-AWEZNQCLSA-N 448.470 5.149 30 20 IKED N#Cc1cccc(C=C(C(=O)Nc2ccccc2Cl)C(=O)Nc2ccccc2Cl)c1 14177980 JWGIBVXUEXLITR-UHFFFAOYSA-N 436.298 5.526 30 20 IKED CCOc1ccc(-n2c(SC[C@H](C#N)CCC#N)nnc2-c2ccccc2Cl)cc1 15233016 JEGUPRONXFQNDK-INIZCTEOSA-N 437.956 5.522 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cccc(CC)c2)cc1 22732310 JUEIJMMRAQXTRH-UHFFFAOYSA-O 425.524 5.428 30 20 IKED N#Cc1ccc(/C=C2/CC3(C/C(=C\c4ccc(C#N)cc4)C2=O)C(=O)Nc2ccccc23)cc1 40146068 YTEJROWLENHHFL-NQGGHMMCSA-N 441.490 5.150 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)c1cc2cc(Br)cc(Br)c2o1 64388663 HEFVIYRRPMNAPI-UHFFFAOYSA-N 448.114 5.102 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(CCN3CCCC3)cc2)c1 65877273 HGIPJNXKAZNMKC-UHFFFAOYSA-N 425.532 5.028 30 20 IKED Cc1ccc(-c2nc(CC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cs2)o1 71937993 IHENOIXVFRGNTL-UHFFFAOYSA-N 445.519 5.494 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1 108148882 WMDKWATZSXZUPL-UHFFFAOYSA-N 430.454 5.239 30 20 IKED C=CCn1c(SCc2csc(-c3ccc(OC)cc3)n2)nnc1-c1ccccc1F 195569912 AULKQKUACBPEKU-UHFFFAOYSA-N 438.553 5.695 30 20 IKED C[C@@H](C#N)Oc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 237509343 SMHKIYXBDMNPRF-IBGZPJMESA-N 426.495 5.259 30 20 IKED C=CCn1c(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)nnc1-c1ccncc1 255929801 NAMVKGWSUIBCON-UHFFFAOYSA-N 435.597 5.504 30 20 IKED Cc1sc2ncnc(SCC(=O)Nc3ccccc3SC[C@@H](C)C#N)c2c1C 303262636 FOFYIMFXLJMFJY-LBPRGKRZSA-N 428.608 5.291 30 20 IKED Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 303346497 ZRMVQEAYOTUPQI-SFHVURJKSA-N 436.606 5.472 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)c2)c1 303572068 BTWXKRHYKDBXFD-HSZRJFAPSA-N 439.540 5.724 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N(Cc2ccncc2)C[C@@H]2CCCO2)c1 303627907 FFYPATZSQAGRJQ-NRFANRHFSA-N 447.922 5.220 30 20 IKED N#CCCn1ncc(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)c1-c1ccccc1 428290273 WSQIECGQOIGQLN-UHFFFAOYSA-N 447.951 5.417 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c(Cl)cc(F)cc2Cl)cc1Cl 431486439 VGHBJBAJBZLMJC-MRXNPFEDSA-N 433.697 6.694 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)cc1 432899264 KXVRYHFQAXTKST-OAQYLSRUSA-N 445.950 6.006 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(CSC2CCOCC2)c1 438485087 SSTSTKDVGBRDQA-ZEQRLZLVSA-N 435.593 5.402 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccccc2Cn2cccn2)cc1F 438650418 PSMUGIZEGKTRAP-UHFFFAOYSA-N 441.466 5.056 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)Nc3sc4c(c3C#N)CCCC4)s2)c(F)c1 443457361 SYPLKWZABAHRRV-UHFFFAOYSA-N 427.526 5.331 30 20 IKED N#CCCCn1cc(C(=O)NCc2ccccc2COCc2ccccc2)c2ccccc21 443933363 GANPYCXUVIWKQJ-UHFFFAOYSA-N 437.543 5.592 30 20 IKED C=C(C)Cn1c(SCc2ccc([N+](=O)[O-])cc2C(F)(F)F)nnc1-c1ccncc1 448111229 LMUKGALIBXPEIG-UHFFFAOYSA-N 435.431 5.136 30 20 IKED CCOc1cc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)cc(OCC)c1OCC 460459750 KZMBOWWTGOGZFD-UHFFFAOYSA-N 440.584 5.207 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H]1c1cccc(OC)c1 460815686 QFIVURNCGKABJB-SDHOMARFSA-N 444.579 5.450 30 20 IKED Cc1cc(-c2csc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)n2)c(C)o1 462994676 QHTOUXARRVELEQ-UHFFFAOYSA-N 445.548 5.666 30 20 IKED C[C@@H](CCc1ccccc1F)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 463167324 CNJNVHDKRXPBIS-AWEZNQCLSA-N 426.542 5.049 30 20 IKED C[C@H](NC(=O)N1CCC(c2noc(C3CC3)n2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 463313785 LBGUMZADOQKFKV-KRWDZBQOSA-N 441.535 5.136 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 464231603 DDRJORCLNLQBTL-MRXNPFEDSA-N 433.895 5.178 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)CSCc1ccc(C#N)cc1 464246159 RXAXATFKUGDPIW-UHFFFAOYSA-N 449.963 5.644 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)ccc21 464470370 VQTDPSQWCADUEW-ZDUSSCGKSA-N 440.347 5.540 30 20 IKED C[C@@H](SCC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1nc2ccccc2[nH]1 464667691 VYFVAFHJSDXOIT-OAHLLOKOSA-N 429.505 5.055 30 20 IKED CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)o1 470562500 INCSBRYYUYOUSL-FDDCHVKYSA-N 448.567 5.430 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1 470645446 WNJQSZLNPZZXKR-UHFFFAOYSA-N 433.573 5.187 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C 476135619 HCMUQLDUNPDGDM-UHFFFAOYSA-N 427.470 6.304 30 20 IKED C=C(C)[C@H](NC(=O)C(=O)Nc1ccc2nc(C(C)C)sc2c1)c1ccc(F)c(F)c1 477678326 YEXDSSCFAMYYJK-IBGZPJMESA-N 429.492 5.070 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)csc1Br 478535959 FPJXMSKXZZVALE-ZDUSSCGKSA-N 428.336 5.304 30 20 IKED CC(C)CN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H]1CCCc2cccnc21 481342959 SASFOQMUKVJRAH-SIKLNZKXSA-N 436.625 5.450 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2OCC)nnc1-c1cccc(Cl)c1 481365878 GOOJZNHIXBIODF-OAHLLOKOSA-N 442.972 5.303 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl 483438051 LAPMQRIUEINNJA-HSZRJFAPSA-N 447.922 5.506 30 20 IKED C[C@@H](NCC(=O)Nc1sccc1C#N)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 484801870 FBHKMPDYLVOVIL-GFCCVEGCSA-N 435.496 5.656 30 20 IKED C=CCN(C(=O)c1sc([C@H](C)OC)nc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 487206861 XREGFYWNXGQKQU-ZDUSSCGKSA-N 444.538 5.023 30 20 IKED C=CCc1cc(CNC(=O)N[C@@H](c2c[nH]c3ccccc23)C(F)(F)F)cc(OC)c1OC 490775608 XQIWFZVWCORKNP-NRFANRHFSA-N 447.457 5.016 30 20 IKED Cc1ccccc1-c1ccc(CN(C(=O)CCc2c(C)nn(CCC#N)c2C)C(C)C)s1 498424274 TVAWQTGLEWQQOQ-UHFFFAOYSA-N 448.636 5.820 30 20 IKED O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1ccccc1C(F)(F)F 499245575 BFVSEVXZPOJRNV-UHFFFAOYSA-N 444.306 6.303 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCc1nc2c(s1)CCCC2 499554378 AYXIERYFQSPQAH-UHFFFAOYSA-N 446.576 5.145 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(Cc3cccc(F)c3)CC2)cc1C 502035863 GDOHMKJCQMGRKN-UHFFFAOYSA-N 444.554 5.315 30 20 IKED Cc1c(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)sc2ccc(C#N)cc12 504188822 WPLNCHVXDJMTLZ-UHFFFAOYSA-N 443.450 5.175 30 20 IKED N#C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 505449514 QBOKJRQWXGVXDI-AWEZNQCLSA-N 446.315 5.134 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 505917290 OHFNRDUVVBQGAI-OAHLLOKOSA-N 438.673 5.744 30 20 IKED Fc1cccc(F)c1[C@H](NCc1nc(-c2ccc(C(F)(F)F)cc2)no1)C(F)(F)F 506280945 CONQGWMJVCIFTN-HNNXBMFYSA-N 437.290 5.427 30 20 IKED CC1CCC(Oc2cc(CNC(=O)Nc3ccccc3S[C@H](C)CC#N)ccn2)CC1 506862013 FGWXKIFJFWCKLL-QPIRBTGLSA-N 438.597 5.755 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCOc2ccc(Cl)cc2Cl)cc1 508163100 XSOOOFBUKADCOG-UHFFFAOYSA-N 433.335 5.215 30 20 IKED C=CCn1c(-c2ccccc2OC)nnc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1 508846493 RONJDDAYLFYFBF-UHFFFAOYSA-N 449.942 5.318 30 20 IKED N#C[C@@H](C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2)c1ccccn1 510026354 CKLAMMYOVMKNLL-MRXNPFEDSA-N 425.319 5.333 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@@]4(CC=CCC4)C3)s2)cc1 512726167 SAKYYIZBXDHTOW-NRFANRHFSA-N 425.583 5.056 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2csc(-c3cccs3)n2)cc1 515650563 BKEURZYLAMIHOD-UHFFFAOYSA-N 445.569 5.698 30 20 IKED Cc1ccc(-c2nnc([C@@H](C)Nc3cc(C(F)(F)F)ccc3SCCC#N)o2)cc1 518147756 IWLJJLNITWZYQX-CQSZACIVSA-N 432.471 6.243 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3nc(-c4ccc(Cl)cc4)no3)cc2)cc1 519977880 GYTHUNSKSTWUSD-UHFFFAOYSA-N 444.878 5.625 30 20 IKED Cc1cc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)ccc1OC1CCOCC1 523128274 MDWODNCUMLADGK-UHFFFAOYSA-N 442.515 5.256 30 20 IKED CCOc1cccc2cc([C@@H](C)NC(=O)c3occc3COc3cccc(C#N)c3)oc12 523953774 UXBSAKNHXMUXEM-MRXNPFEDSA-N 430.460 5.366 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccccc1Oc1ccccc1 524563106 AUVJKOQZGHYBBX-SFHVURJKSA-N 445.544 5.301 30 20 IKED CCCN(C(=O)[C@H](C)Oc1ccccc1C#N)[C@@H](c1cccnc1)c1ccc(F)cc1F 525350967 ARRQVTCYUIWLRG-XDHUDOTRSA-N 435.474 5.027 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)c1 530743593 ZIJKJSPFXPYLCB-OAQYLSRUSA-N 427.342 5.234 30 20 IKED Cc1cnc(-c2ccccc2NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)[nH]1 534192013 HWDNUDDPXYWIBG-UHFFFAOYSA-N 428.879 5.955 30 20 IKED C[S@@](=O)c1ccc(NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1F 539458199 DFJYZZPRWNZESV-MLNJSSBLSA-N 442.356 5.007 30 20 IKED O=C(N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)c1cc(O)nc2cc(F)ccc12 541111169 ATKTXRAVZYQHTI-INIZCTEOSA-N 448.294 5.012 30 20 IKED Cc1cn(C2CCCCC2)nc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 541471440 AJILMWNDTOQGCN-UHFFFAOYSA-N 445.542 5.942 30 20 IKED Cc1nc(C2CC2)oc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 546772012 KGKDVQVVXPZVSC-UHFFFAOYSA-N 432.427 5.051 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)C[C@@H](Cc3ccccc3)c3ccccc3)CC2)c(F)c1 552694847 JPPOANVKULOBRF-XMMPIXPASA-N 442.534 5.484 30 20 IKED N#Cc1ccc(NC(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)cc1F 554994442 PQANWRCRHSHFRF-UHFFFAOYSA-N 447.445 5.071 30 20 IKED Cc1nc(NC(=O)C(C)(C)c2csc(-c3ccccc3F)n2)sc1SCC#N 559391506 PJJQAUPEEAJFQX-UHFFFAOYSA-N 432.571 5.246 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1 561210778 GIOOFIASKHXLPH-UHFFFAOYSA-N 447.318 5.485 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H](CCO)c2ccc(Cl)cc2)cc1 562135322 XROWZTNOQMCPMX-DEOSSOPVSA-N 449.938 5.230 30 20 IKED CN(Cc1ccccc1N(C)C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 564160973 NREKNAHPYRNHET-UHFFFAOYSA-N 432.499 5.006 30 20 IKED N#Cc1ccc(CNc2cccc(CS(=O)(=O)Cc3ccccc3)c2)c(C(F)(F)F)c1 567402888 ZVWVYSOVVDFHMK-UHFFFAOYSA-N 444.478 5.304 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@H](Oc4ccccc4Cl)C3)cc2)ccn1 568642238 ZLNVJGAGGVRYPG-NRFANRHFSA-N 448.910 5.474 30 20 IKED CN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 573134020 UJIBBLFMPREUFX-BGYRXZFFSA-N 445.485 5.916 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCCC[C@@H]3c3cc4ccccc4[nH]3)cc2)ccn1 574244937 ZFLHIBIUSXJNPD-RUZDIDTESA-N 437.503 5.986 30 20 IKED O=C(Nc1ccccc1C#Cc1ccccc1)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 581907911 LICBHBMMJJFSNI-HSZRJFAPSA-N 426.520 5.496 30 20 IKED COc1ccc(CNC(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)cc1OC(F)F 591843709 RGBRUSPIHJCWPR-UHFFFAOYSA-N 440.315 5.272 30 20 IKED COc1cccc(CCC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1OC 603532893 CNSHIVCFTXSCGQ-UHFFFAOYSA-N 432.495 5.189 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1occc1COc1ccccc1 603601172 SRWMLZWIHOBTRX-UHFFFAOYSA-N 425.444 5.478 30 20 IKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1[C@H](C)c1ccccc1 603917219 GEBMGAISRBXVRP-HHJKRLRDSA-N 447.608 5.089 30 20 IKED C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 606181966 KHLKBZBRCLUROL-SWHYSGLUSA-N 435.330 5.473 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3Cc4ccccc4-c4ccccc4C3)cn2)c1 608791002 HCFLKWXNDOKMCZ-UHFFFAOYSA-N 432.483 5.960 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc2cnn(C(C)C)c2nc1C 609061044 IGIAYRVMXQMFRC-UHFFFAOYSA-N 439.519 5.332 30 20 IKED C[C@H](NC(=O)CC1CCCCC1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609164447 OSWOKOBYSIMOBH-JTSKRJEESA-N 437.971 5.409 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(CCc3ccccc3)Cc3ccncc3)cc2)c1 609434003 NSXABOXQDFRCSU-UHFFFAOYSA-N 448.526 6.022 30 20 IKED CC(C)N(Cc1cccc(Br)c1)C(=O)Nc1ccccc1S[C@H](C)CC#N 609435578 YTRQYRDVYCTQHY-MRXNPFEDSA-N 446.414 6.286 30 20 IKED N#Cc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)c(F)c1 610323967 BPZYEKXXHZKTBL-UHFFFAOYSA-N 430.361 5.225 30 20 IKED N#Cc1cc(Cl)c(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c(Cl)c1 611096129 QJPDUXMFGDAYJA-UHFFFAOYSA-N 434.710 5.679 30 20 IKED N#C[C@@H](NC(=O)c1sc(-c2ccccc2)nc1C(F)F)c1ccc(Cl)c(Cl)c1 611185596 YUTUGCXTNHCKRK-CQSZACIVSA-N 438.286 6.049 30 20 IKED Cc1ccn(-c2ccc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2)n1 613404259 KIXRTQRLDXIREJ-INIZCTEOSA-N 426.423 5.299 30 20 IKED CCCCN(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[C@@H](C)c1ccc(C)o1 615857117 GOBGMWGECITXSH-IBGZPJMESA-N 436.556 5.566 30 20 IKED O=C(Cc1csc(-c2cccc(F)c2)n1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618297584 KWEJGQNIHMGSGG-TXEJJXNPSA-N 440.384 5.081 30 20 IKED FC(F)(F)c1ccc(-c2noc(CN3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)n2)cc1 618449349 FROUZEWWBDJBTC-RYUDHWBXSA-N 447.301 5.318 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1 672608359 QVEQMVJPLCODSJ-UHFFFAOYSA-N 445.539 5.400 30 20 IKED O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674430656 KPIMXHXBCNLJML-STQMWFEESA-N 448.329 5.119 30 20 IKED O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1cc(F)cc(C(F)(F)F)c1 674774949 JNJMXZXVLXPHIP-UHFFFAOYSA-N 434.311 5.464 30 20 IKED COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)Nc2cccc(OCCCC#N)c2)cc1 726526595 LEPPNZWYIWFDKM-UHFFFAOYSA-N 447.466 5.021 30 20 IKED COc1ccccc1[C@H](C)NC(=O)CNc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728051884 PHMPWYABGDHTOH-KRWDZBQOSA-N 449.938 5.089 30 20 IKED CN(C[C@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1)C(=O)OC(C)(C)C 729552329 DIPLPPFNSTWNSF-XXBNENTESA-N 448.567 5.063 30 20 IKED CC(C)(C)OC(=O)N[C@H](CCC(=O)[C@H](C#N)c1ccc2ccccc2n1)c1ccccc1 729891282 XYGJQUNRZRAWRY-IFMALSPDSA-N 429.520 5.457 30 20 IKED C[C@@H](C#N)Oc1ccc(/C=C(\CC(=O)O)c2nc3cc(C(F)(F)F)ccc3s2)cc1 730437939 WSHXIBOFVRYHRR-ACLQVGRQSA-N 432.423 5.621 30 20 IKED COc1ccc(/C=C/C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1OC 730994272 IJUSBFFCEJKUFT-WEVVVXLNSA-N 436.455 5.380 30 20 IKED Cc1ccc(N2C[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)CC2=O)cc1 730995019 NHTGQQHNUFOADB-OAHLLOKOSA-N 447.482 5.011 30 20 IKED Cc1ccc(C(=O)Nc2ccc(OC(=O)CCCCOc3cccc(C#N)c3)cc2)cc1 732066823 CRMWWLXIRRPLGB-UHFFFAOYSA-N 428.488 5.274 30 20 IKED CCOc1cc(/C=C/C(=O)c2sccc2C)ccc1OCc1ccc(C(=O)OC)o1 733749690 UFZUBCLKSWEVNR-VMPITWQZSA-N 426.490 5.310 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(OCc3ccccc3C)c2)c1 733845143 NBLYZTKWKWHGTP-QHCPKHFHSA-N 429.520 5.577 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 733957693 BFYJLSARZJTFPZ-LJQANCHMSA-N 441.535 5.201 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)cc1 740822807 SDHFFDUDAQOMIN-UHFFFAOYSA-N 443.931 5.646 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC[C@@H]1NC(=O)OC(C)(C)C 741059936 WWONCYQDGNDPGP-LEOXJPRUSA-N 448.567 5.109 30 20 IKED CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 741539834 VGVIFGNYBMHTBH-VWLOTQADSA-N 425.532 5.209 30 20 IKED CC(C)(C)c1ncc(/C=C/C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)s1 744026383 XMGSAQXNGDCSBW-HVHJFMEUSA-N 435.521 5.116 30 20 IKED C=CC[C@H](NC(=O)N(Cc1ccccc1OC(F)(F)F)C1CCCC1)c1ccncc1 745824985 ABPDELFBFVSDKX-FQEVSTJZSA-N 433.474 5.752 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@H]3C[C@H](O)c3ccc(F)cc3)c2)c1 746251637 FFJSWSWGCDEANK-AHWVRZQESA-N 444.506 5.005 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1OC 746375936 ZCEAKQMTTLSUCB-YBEGLDIGSA-N 428.488 5.164 30 20 IKED COc1ccc(-c2cnc(CCC(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)o2)cc1 746416487 MXZUSULDTWNHBJ-HXUWFJFHSA-N 443.528 5.591 30 20 IKED COc1cc(C(=O)/C=C\c2ccc(-c3ccccc3)cc2)ccc1S(=O)(=O)C(F)F 747066487 LXQPMCKYGDQHAN-LCYFTJDESA-N 428.456 5.255 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc(-c2ccccc2)ns1 747203662 CADVLLUQUZDGCO-OAHLLOKOSA-N 429.473 5.086 30 20 IKED C/C(=C\C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(C(F)(F)F)cc1 748385328 ILAGCBQKPXVFST-XSNHNAGMSA-N 448.466 5.101 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC1CCC(N2CCCCC2)CC1 750998104 KYPSJBRTQNUROI-UHFFFAOYSA-N 446.595 5.364 30 20 IKED Cc1nc(Cl)ccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 751641016 UTKJPKXIZZHWHI-UHFFFAOYSA-N 436.846 5.234 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2csc(-c3ccccc3)n2)cc1 753876797 GGRXRDRVJATKGG-DEOSSOPVSA-N 438.556 5.830 30 20 IKED C#CC[C@@H](NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1)c1ccccc1 757770812 BXWSVIUZBOPCIK-PKTZIBPZSA-N 427.548 6.076 30 20 IKED Cc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(O[C@@H]2CCOC2)c1 758535495 MVOVVVBQVPNFGK-RPBOFIJWSA-N 441.531 5.140 30 20 IKED CC(C)(C)OC(=O)NCC1(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 758951944 HHMGUSSMGPDMLD-IBGZPJMESA-N 439.943 5.239 30 20 IKED Cc1ccc[n+](/C(C(=S)Nc2ccc(Cl)c(Cl)c2)=C(/O)c2ccc(C#N)cc2)c1 762438267 LOSDTOCCGPCULB-UHFFFAOYSA-O 441.363 5.784 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccnc(CNC(=O)OC(C)(C)C)c3)n2)cc1 766276529 SJOITPSQBIWUMK-IBGZPJMESA-N 448.548 5.028 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)[C@@H](C#N)C(=O)Nc2c(CC)cccc2CC)c1 772646137 RMDKBEMGULVBTO-XMMPIXPASA-N 440.543 5.838 30 20 IKED C#CC[C@H](NCc1csc(-c2cc(Br)ccc2OC)n1)c1ccccc1 775400996 OYMUSQAVNIKDIE-IBGZPJMESA-N 427.367 5.435 30 20 IKED C[C@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)Nc1ccccc1Oc1ccccc1 777176390 AJKDXCHGRHTTOO-SFHVURJKSA-N 426.472 5.218 30 20 IKED O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)O[C@H]([C@H]1CCOC1)C(F)(F)F 778040486 NWFOBUNKKCHGHN-KXDPZOFYSA-N 436.270 5.248 30 20 IKED N#C[C@H](COC(=O)Cc1csc(-c2cccs2)n1)Cc1ccccc1Br 786632183 FFHOBFMMASBHBX-CYBMUJFWSA-N 447.379 5.102 30 20 IKED Cc1ccc(C)c(-n2cnc3cc(C(=O)[C@H](C#N)C(=O)Nc4ccccc4Cl)ccc32)c1 788352986 XJZBHLXJWZWGFR-SFHVURJKSA-N 442.906 5.257 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 790965158 GMOXJWUMTXPGRP-GOSISDBHSA-N 448.350 5.654 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]c3ncc(Br)cc23)cc1 792057795 PYYMJMAJGWNMAI-IBGZPJMESA-N 431.293 5.233 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)[C@H]1OCCc2sccc21 796806980 JXLXBLDAAVHFFI-JNHSQIPHSA-N 430.501 5.276 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2c(C)cc(C)cc2O)cs1 799894861 HDYIFPKPIYGQKH-RMKNXTFCSA-N 426.925 5.700 30 20 IKED C#CCN(C)C(=O)Nc1ccc([C@H]2CC[C@H](N(C)C(=O)c3ccc(Cl)cc3)CC2)cc1 801745575 NITNISASFVZXFQ-UILWBTOOSA-N 437.971 5.235 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2c(C(C)=O)oc3cc(C)ccc23)cc1 805855290 GHRWAUDZQDHPGC-KSFYIVLOSA-N 430.504 5.347 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/Cc3nc(Cl)ccc3C2=O)cs1 806579834 UEITZCNOKIVLGQ-WQLSENKSSA-N 430.316 5.352 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1 814653221 SHATXKPXDXSHLO-PGRDOPGGSA-N 436.556 5.829 30 20 IKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@@H](C)c3ccccn3)C2=O)cc1 837516970 JLLWRUPOIYUTLL-AVRDEDQJSA-N 444.560 5.112 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2c(C)nn(-c3ccc(F)cc3F)c2C)S1 915983687 RXBJJEMBKSXKOK-JAIQZWGSSA-N 438.503 5.276 30 20 IKED N#C[C@@H](C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1 916900222 VXDKRWUVDZPLBK-MOEXGYKKSA-N 426.316 5.085 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(SC(F)F)cc1 916908887 OERGSZWUAGULRH-SFHVURJKSA-N 438.455 5.755 30 20 IKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC[C@@H]2c2cc(C)no2)c1=S 917459806 RHEUCFDGNRKYJO-HXUWFJFHSA-N 437.613 5.656 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 918492574 VFMGSUAFOPWVEF-YWZLYKJASA-N 443.450 5.467 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 920106602 UGEWNFOFPYYBRS-OAHLLOKOSA-N 438.327 5.719 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C)nc3)CCC2)cc1 1786102274 CHYIDKRFOXOUCF-UHFFFAOYSA-N 431.580 5.225 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cnn(C(C)(C)C)c3)CCC2)cc1 1786102359 JULMYOIMLVAMOP-UHFFFAOYSA-N 434.584 5.154 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccc4ncncc4c3)cc2)CCC1 1789321802 HRNCISXHZMUWOE-UHFFFAOYSA-N 440.547 5.146 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CSc4ccccc4)CCC3)cc2)cc1 1790288661 YVCZOIXUSMQQMP-UHFFFAOYSA-N 441.556 5.098 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4c(Cl)cccc34)cc2)CCC1 1790846691 YTLKWGRIGZWNGZ-HNNXBMFYSA-N 436.943 5.176 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)cc(OC)c2)[nH]n1 1814443950 KRGBSEBRBBDLKA-NRFANRHFSA-N 438.572 5.025 30 20 IKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCc2ccc(C(F)(F)F)cc2)n[nH]1 1815150805 BHXPOCNSRHYRKL-IBGZPJMESA-N 448.489 5.020 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2Cl)n[nH]1 1820423350 WBEPOLGSZVDHIP-HXUWFJFHSA-N 426.948 5.137 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)[nH]n1 1821922044 YFRMLBUYIHPMPC-VBKZILBWSA-N 439.947 5.063 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(F)cc2F)CC1 1824143672 RAGVMXCHVPJDCT-QHCPKHFHSA-N 448.529 5.106 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C(F)(F)F)coc2C)CC1 1827856554 XDLNKEBNOLEHCA-DNVCBOLYSA-N 440.506 5.052 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cnccc3c2)CC1 1829066628 OCBJJWSRMWBUBC-RUZDIDTESA-N 447.623 5.461 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(OC)c2F)CC1 1829071350 PCLQJCKDEXBQGK-OAQYLSRUSA-N 444.591 5.060 30 20 IKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(C)C)cc2)CC1)C(F)(F)F 1831453430 VOIMOTDCIFVOQG-NRFANRHFSA-N 436.518 5.162 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1cc(C)ccc1C)[n+]1ccc(N(C)C)cc1 10174338 BUWLOXIWSOIIDQ-UHFFFAOYSA-O 432.613 5.270 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cccc(Cl)c2)cc1 10830515 YSVUPJATFRHVAM-UHFFFAOYSA-O 431.915 5.519 30 20 IKED C=CCn1c(SCC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)nnc1-c1ccccc1 11055913 AOLKZTNEWLUDLQ-IBGZPJMESA-N 432.593 5.051 30 20 IKED C#CCOc1ccc(/C=C(\Cl)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1OCC 15349843 DQDKABXFLOHHAH-VBKFSLOCSA-N 440.952 5.011 30 20 IKED N#Cc1ccc(C(=O)CSC2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(F)cc2)cc1 18954160 HRZCGZSUNIYCSB-HYARGMPZSA-N 441.487 5.057 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccccc2CC)cc1 22730599 PCKFPFMMLUVXSU-UHFFFAOYSA-O 439.988 5.640 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nc(-c3ccc(Cl)cc3)n[nH]2)c1 23967348 GDSDSOMCIRQFOE-INIZCTEOSA-N 439.972 5.169 30 20 IKED COc1cc(CNc2cccc(OCCCC#N)c2)cc(Br)c1OC(F)F 237286489 MXGPVIHJTNYODT-UHFFFAOYSA-N 441.272 5.354 30 20 IKED N#Cc1cc(N[C@H]2CCc3c(O)cccc32)cc(N[C@H]2CCc3c(O)cccc32)c1[N+](=O)[O-] 302006268 VNZQETCYEZDATQ-SFTDATJTSA-N 442.475 5.076 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3S[C@H](C)CC#N)s2)cc1 303288639 AQILDUMYPUATSP-OAHLLOKOSA-N 437.590 6.164 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCc2nc(C)c(-c3ccccc3)o2)cc1 303334656 UZUKJZCUVPMLQA-UHFFFAOYSA-N 429.520 5.036 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC1(c2cccc(Br)c2)CCC1 303370828 JWEMEPHPSGVMKG-OAHLLOKOSA-N 444.398 5.902 30 20 IKED Cc1nc([C@@H]2CCCOC2)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 429684593 UJURKSJRGJXZOB-ZBFHGGJFSA-N 443.981 5.613 30 20 IKED CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cccc(SCC#N)c2)CC1 430776414 PBHITKHXNMFKFK-UHFFFAOYSA-N 447.526 5.058 30 20 IKED CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1sc2ccc(C#N)cc2c1C 431740051 FLKCUJKZDJHVOF-UHFFFAOYSA-N 446.359 5.489 30 20 IKED CC(C)(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1[N+](=O)[O-] 431828597 RMYOATIDXONTOY-UHFFFAOYSA-N 429.476 5.156 30 20 IKED N#Cc1cccc(C2(C(=O)Nc3ccc(C(=O)N4CCC[C@@H]4c4ccccc4)cc3)CC2)c1 435360716 BFZRLNJWRHUDRE-RUZDIDTESA-N 435.527 5.206 30 20 IKED CN(C(=O)C1CCC(C(F)(F)F)CC1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 436024174 YDMPIBPRKWTGNO-OVGLSYRBSA-N 435.330 6.136 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)cc1 436321774 YMRIXVVAXFDRBX-UHFFFAOYSA-N 444.409 5.804 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 436360653 GCDNPNJZJKEUTA-LEWJYISDSA-N 434.927 5.011 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(Cc1cccc(F)c1)C1CCCC1 437458643 ABCFSQNCANLQJM-KRWDZBQOSA-N 439.556 5.130 30 20 IKED CC(=O)c1ccc(OCCCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 437470515 GKFZXDFNGPGNAS-UHFFFAOYSA-N 432.451 5.490 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC2CCC3(CCOCC3)CC2)cc1 439593105 LNRKXONXCGSWHC-UHFFFAOYSA-N 435.543 5.149 30 20 IKED Cc1c(CSC(C)C)cccc1NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 441032835 JOSDMUXMXQRKOP-UHFFFAOYSA-N 435.471 5.104 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1cn(C)nc1C(F)(F)F 442209734 PVPQFUSXSHPYEN-UHFFFAOYSA-N 443.429 5.075 30 20 IKED CCOc1ccc(-n2c(S[C@H](C)c3cccc(C#N)c3)nnc2-c2ccncc2)cc1 442894960 CNADSLXYCWGMJK-QGZVFWFLSA-N 427.533 5.453 30 20 IKED CCN1CC[C@H](N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C[C@H]1C 444032849 LBIPEDHNRXCOMA-APWZRJJASA-N 426.948 5.340 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(-c2nc(-c3ccc(-c4nnco4)cc3)no2)c1 445394556 ULAPKLJXWPMGNZ-UHFFFAOYSA-N 441.834 5.771 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCCC(=O)c1ccc(Br)cc1 446041635 DSLOICKCQWTMEY-HNNXBMFYSA-N 445.382 5.693 30 20 IKED CCc1c(C)sc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)c1C#N 460170231 KVYYXGJPNDWDFP-UHFFFAOYSA-N 433.320 5.632 30 20 IKED Cc1ncc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c(C(C)C)n1 464275000 KOGCCBAMSGDRTJ-UHFFFAOYSA-N 440.425 5.844 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCc2nc(-c3ccncc3)cs2)cc1 464917932 OPCIPMLLDBGWSY-UHFFFAOYSA-N 440.528 5.150 30 20 IKED O=C(Nc1ccccc1CCC(F)(F)F)c1cnn(-c2ccccc2F)c1C(F)(F)F 465472931 BYGWFMTUDISWKS-UHFFFAOYSA-N 445.338 5.777 30 20 IKED Cc1csc([C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)n1 466092169 MOLLRWKYTYFZKR-CTNGQTDRSA-N 436.968 6.033 30 20 IKED COc1ccc(-c2nnc(SCCCSCC#N)n2C2CCCCC2)cc1OC 466623553 SCTSSRGWVUHDNQ-UHFFFAOYSA-N 432.615 5.206 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCc2cc(OC)c(OC)c(OC)c2CC1 475584707 SZHRFLLLKHUOMS-UHFFFAOYSA-N 438.568 5.197 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 476124530 YWYTUMJISWRQTL-UHFFFAOYSA-N 425.575 5.685 30 20 IKED CC(C)c1c(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cnn1-c1ccccc1Cl 480547537 ATLKZUSROADVNX-UHFFFAOYSA-N 448.889 5.098 30 20 IKED Cc1ccc([C@H](N[C@@H]2CCCCc3cc(C#N)ccc32)c2cccc(S(C)(=O)=O)c2)cc1 481657134 ZFNQSVRPWNTGAN-SXOMAYOGSA-N 444.600 5.417 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 482083713 MZJFXFJNXNETSU-NRFANRHFSA-N 438.572 5.575 30 20 IKED Cc1c([C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C(C)C)oc2ccccc12 483274896 BFBAPFKLFIOBKA-NRFANRHFSA-N 435.549 5.199 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCc2cc(Br)ccc2C1 484162722 OLXWQXQHQLTNLJ-CQSZACIVSA-N 430.371 5.291 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1C 491571032 ZAJKRVDHKHKQIY-JOCHJYFZSA-N 433.939 5.976 30 20 IKED C[C@@H](CCCC(F)(F)F)NC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 494806887 FVSSUAMKGWTYCS-GXFFZTMASA-N 438.334 6.119 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)N(CC(C)C)c3ccc(C#N)cc3)s2)cc1OC 499305560 HQLHEILRUPCEGX-UHFFFAOYSA-N 435.549 5.310 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)c1 500203687 JIXGHSNNDUKWBR-UHFFFAOYSA-N 448.372 5.453 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)NCc3cccc(COCc4ccccc4)c3)CC2)cc1 502304688 KIZQESSTOIEXDT-UHFFFAOYSA-N 437.543 5.274 30 20 IKED CC(=O)Nc1cc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)ccc1C 502496626 JNDIWNGROIXDSP-UHFFFAOYSA-N 428.492 5.357 30 20 IKED COc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1NC(C)=O 502618380 JZSIWRKERMQFDO-UHFFFAOYSA-N 430.464 5.270 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H](c2ccccc2)c2cccnc2)cc1 503288307 YJXKNABXQRDHOH-HHHXNRCGSA-N 448.526 5.638 30 20 IKED COc1cc([N+](=O)[O-])c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1SC 503570518 ASQKIIZOADYRKW-NSHDSACASA-N 433.898 5.078 30 20 IKED N#C[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1c(Cl)cccc1Cl 505539375 GVGFWZCRLQSTIO-INIZCTEOSA-N 436.245 5.240 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@H](C#N)c1ccccc1F 505923748 XWCFTZAQDXDFJI-FZKQIMNGSA-N 429.904 5.137 30 20 IKED N#CCCCCNC(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F 508647428 XZUJMBXYOJDTFY-UHFFFAOYSA-N 427.373 5.269 30 20 IKED N#CCCn1cc(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)c(-c2ccccc2)n1 509348633 SGKAPQCKTZKMTE-UHFFFAOYSA-N 445.954 5.638 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)COc1cccc(NC(=O)C2CC2)c1 510219956 BKEADNZNOGGMPI-UHFFFAOYSA-N 441.487 5.025 30 20 IKED COC(=O)c1ccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 510861404 YMIXLPJMDXYPOO-UHFFFAOYSA-N 429.476 5.110 30 20 IKED CCOc1cccc2cc([C@@H](C)NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)oc12 510871640 HGHWYAIXCIXTHQ-QGZVFWFLSA-N 433.508 5.017 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(F)c2ccccc12 511812772 ZWLCCLBESMNVRL-CVEARBPZSA-N 435.524 5.189 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N(Cc2ccccc2)CC2CCOCC2)c1 513262169 MGKUMXQCGJANFH-UHFFFAOYSA-N 440.543 5.206 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)cc(-c3ccco3)nc21 514891901 CKUURCDXMNTLFN-AWEZNQCLSA-N 445.548 5.582 30 20 IKED CCCN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@@H](C)C(=O)Nc1ccccc1 517338989 MUZAVKHYVDHPCJ-SFHVURJKSA-N 445.494 5.369 30 20 IKED N#Cc1cn(CC(=O)c2ccc(-c3ccccc3)cc2)c2ccc(Br)cc2c1=O 518473751 UYDNATPBKMIQPS-UHFFFAOYSA-N 443.300 5.186 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 519498128 AMISVTSVVUQIKL-UHFFFAOYSA-N 437.421 5.593 30 20 IKED Cc1cc(F)cc([C@@]2(F)CCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)C2)c1 519735358 RKCHDIFQWJAOTI-XMMPIXPASA-N 434.446 5.296 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCC[C@H]2c2ccccc2)cc1 522089664 VTNCWPXIOYFXGS-AHWVRZQESA-N 425.532 5.789 30 20 IKED COc1ccc(CN(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C(C)C)cc1C#N 532747932 NRPMSDBUTVSSEK-UHFFFAOYSA-N 439.865 5.088 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H](C)c1ccccc1Br 532780251 GSODWRKGMDHRJN-HZPDHXFCSA-N 446.414 5.475 30 20 IKED Cn1nc(-c2ccncc2)cc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 534915325 MKWLWSDAGMOFTH-UHFFFAOYSA-N 429.867 5.052 30 20 IKED Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2cn(C)nc2-c2ccc(C#N)cc2)cc1 537557995 URYXNLIWKDKDSJ-SANMLTNESA-N 433.515 5.034 30 20 IKED COc1cc([C@H](C)NCC(=O)Nc2cc(Cl)ccc2C#N)ccc1OCc1ccccc1 538150131 JFXPBYLCTSMQII-KRWDZBQOSA-N 449.938 5.089 30 20 IKED C[C@@H](Nc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)c1ccc(-c2cccc(C#N)c2)cc1 541112197 VKIMPHRDZANHPI-CQSZACIVSA-N 445.466 5.065 30 20 IKED C=CCc1cc(-c2nc(Cc3ccc(OCc4ccccn4)cc3)no2)cc(OC)c1OC 546282044 PDPBPADENCDRAB-UHFFFAOYSA-N 443.503 5.047 30 20 IKED O=C(NCc1ccccn1)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 548511189 VHHHSIBNWVKEEK-ZDUSSCGKSA-N 445.285 5.222 30 20 IKED N#C[C@H](NC(=O)c1cccc(F)c1Br)c1ccc(OCc2ccccc2)cc1 550218143 YMNORRKVAKMVNB-FQEVSTJZSA-N 439.284 5.162 30 20 IKED CCN(C(=O)c1ccc(Sc2ccccc2Cl)nn1)c1ccc(C#N)c(Cl)c1 557354388 JEPCRPQMMILEML-UHFFFAOYSA-N 429.332 5.473 30 20 IKED CCc1nnc(CNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)s1 572083916 WAGPUCKMOGZGDB-UHFFFAOYSA-N 447.442 5.105 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCC(=O)c4ccccc43)cc2Cl)c1 572495970 UVICJNORXBCORP-OAQYLSRUSA-N 430.891 5.489 30 20 IKED CCc1ccc([C@H](C#N)NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1 572560933 FHLTXLKTRIUOMD-IBGZPJMESA-N 428.319 5.524 30 20 IKED CSCC[C@@](C)(C#N)NC(=O)Cc1sc(-c2ccccc2)nc1-c1ccc(C)cc1 572641325 COPKITMHEQMUOC-DEOSSOPVSA-N 435.618 5.480 30 20 IKED O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)c1cc(OC(F)F)cc(OC(F)F)c1 582153446 UDNZGAXDDQXGHG-CYBMUJFWSA-N 439.327 5.040 30 20 IKED COc1ccc(Cl)cc1-c1nc(SCc2ccc(Br)cc2C#N)n[nH]1 583042516 OTJCRIAVNROFPS-UHFFFAOYSA-N 435.734 5.060 30 20 IKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cc(O)cc(C#N)c1 589171875 WESXAEKIFNZYHR-UHFFFAOYSA-N 439.393 5.096 30 20 IKED C=C(C)CN1CCC(NC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)CC1 592351876 GFXSKWDMLWRVCW-UHFFFAOYSA-N 447.410 5.141 30 20 IKED CN(Cc1ccc(Br)s1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 603648253 DMPVSHMFHCBTJD-UHFFFAOYSA-N 447.383 5.093 30 20 IKED CC(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 603730425 ITVXHMLPSJDTDV-INIZCTEOSA-N 444.622 5.205 30 20 IKED COc1ccccc1-c1nc(CNc2cccc(OCc3cccc(C#N)c3)c2)cs1 604007139 PGCHWQDQLNRTBP-UHFFFAOYSA-N 427.529 5.881 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CSc1nccn1C(C)(C)C 604541141 YUJHCTMDRNFDSW-UHFFFAOYSA-N 436.556 5.283 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccccc3F)C2)cc1Cl 608994698 QHMQHVTVQFYNRW-QPPBQGQZSA-N 449.913 5.740 30 20 IKED N#C[C@@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(OCc2ccccc2)cc1 609027911 HYRFVQYJELONFD-XMMPIXPASA-N 437.499 5.234 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@H]3Cc3c(F)cccc3Cl)o2)cc1 609070765 KYTSQOMJCVMVRX-KRWDZBQOSA-N 438.886 5.370 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@H](Nc4ccccc4)C3)c2)cc1 609206107 DJOYPCVHOSYXHY-DEOSSOPVSA-N 426.520 5.050 30 20 IKED Cc1nc(C)c(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)s1 609399067 HAQOWVAASGTVNE-UHFFFAOYSA-N 426.929 5.442 30 20 IKED COc1ccc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)cc1OCc1ccncc1 611094203 ZSECWIAGSFXKOX-UHFFFAOYSA-N 428.275 5.100 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)Nc1ccc(C2CC2)cc1 615150960 NJSOKILZVYAJIY-UHFFFAOYSA-N 433.455 5.166 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 615655811 RRFUYUDJMLHTPD-LJQANCHMSA-N 431.511 5.537 30 20 IKED C=CCn1c(SCC(=O)N(CC)c2cccc(C)c2)nnc1-c1ccc(Cl)cc1 642032923 MNAJVGPCYCOQDJ-UHFFFAOYSA-N 426.973 5.238 30 20 IKED C=CCOc1ccccc1CN(C(=O)C[C@@H](C)c1ccncc1)c1ccc2c(c1)OCCO2 675211018 HDHFSERXHMFYMB-HXUWFJFHSA-N 444.531 5.145 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cc1 726941525 CBRCBDXELRGUEH-UHFFFAOYSA-N 438.534 5.380 30 20 IKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(C2CCC2)C1=O 730460208 VCAIPRQKAWTNAY-LJQANCHMSA-N 445.947 5.300 30 20 IKED O=C(/C=C/c1cccc(OCc2ccccc2Cl)c1)c1ccc(C(F)(F)F)nc1O 731564330 APUTXYWFWQMZTL-CSKARUKUSA-N 433.813 5.935 30 20 IKED Cc1oc(-c2ccccc2)nc1CON=C(Cc1nc2ccccc2n1C)c1ccccc1 731664768 VZSKYVXBMAHYKN-UHFFFAOYSA-N 436.515 5.700 30 20 IKED Clc1nccnc1NN=C1CCCc2nc(-c3ccccc3Br)sc21 733079342 GTYMGHICPHHBOD-UHFFFAOYSA-N 434.750 5.169 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)c1 733804351 CCLYJYSAVJSRAP-TZIWHRDSSA-N 442.357 5.177 30 20 IKED CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)c1ccccc1SCC#N 733989695 QPMIWDQKUKAMOW-UHFFFAOYSA-N 432.545 5.032 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 735205208 AWJHUXZSRGFTRN-JOCHJYFZSA-N 443.890 5.528 30 20 IKED N#CCOc1ccc(Cl)cc1CSc1nnc(-c2ccco2)n1Cc1ccccc1 735231079 OYELYOZGXPZJLX-UHFFFAOYSA-N 436.924 5.434 30 20 IKED COc1cc(C[S@](=O)CCOC2CCCCCC2)ccc1OCc1cccc(C#N)c1 741053749 DADYLSKMXSPCFV-WJOKGBTCSA-N 441.593 5.134 30 20 IKED C[C@H](OC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nc(-c2cccnc2)no1 741821481 VPVQJWAMTKHRAG-INIZCTEOSA-N 442.500 5.214 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)[C@@H](Sc3ccccc3)c3ccccc3)o2)c1 741830672 WOVVFEMOVSQBSW-QFIPXVFZSA-N 427.485 5.185 30 20 IKED N#CC1CCN(CC(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)CC1 747088649 JWQUIIQELZAAEM-YWJUBWOMSA-N 438.575 5.045 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)cc2)C[C@@H](C)O1 747387513 FBPILCLVPOQPEP-BGYRXZFFSA-N 441.531 5.003 30 20 IKED C/C(=C\C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 748390764 WSDIVTHJBBDPGT-IYOXOMEYSA-N 448.416 5.126 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cc(Br)ccc2F)cc1 748690484 DOXFQVUQGLXGTI-GOSISDBHSA-N 445.313 5.044 30 20 IKED C=CC[C@@H](NC(=O)C(=O)Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1)c1ccncc1 749723410 BHXHIXOOWVUDNZ-OAQYLSRUSA-N 440.330 5.428 30 20 IKED CCOc1cc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OC(F)F 750896503 QNKDFAHOGRTWOA-SREVYHEPSA-N 442.212 5.254 30 20 IKED N#CCOc1ccccc1C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 752302856 LZGYCVOICLVWQQ-UHFFFAOYSA-N 430.851 5.230 30 20 IKED CN(C(=O)c1ccccc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)C1CCCCC1 752647972 IRMLAZVTQDFHBN-NOZRDPDXSA-N 444.579 5.395 30 20 IKED O=C(/C(=C\c1cnc(-c2ccccn2)s1)c1nc2ccccc2s1)c1ccccc1 753133402 CDKXUMJIFGMPLM-NBVRZTHBSA-N 425.538 6.238 30 20 IKED Oc1c(Br)cc(C=NOc2ccccc2C(F)(F)F)cc1Br 754712193 FSZAJACMKKDWAX-UHFFFAOYSA-N 439.025 5.349 30 20 IKED Fc1ccc(C=Nn2c(S)nnc2-c2ccccc2Br)cc1C(F)(F)F 755567289 URMVSVJWTBUUNO-UHFFFAOYSA-N 445.239 5.036 30 20 IKED N#C[C@H](C(=O)CCCc1csc2ccccc12)c1nc(O)c2c3c(sc2n1)CCCC3 756222465 DQLAWQFQXCDDGZ-QGZVFWFLSA-N 447.585 5.690 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1-c1ccccc1 758036031 WXBZKNLCNHDMDB-XMMPIXPASA-N 431.499 5.372 30 20 IKED CC(C)(C)OC(=O)N[C@H](CC(=O)N(Cc1ccco1)c1ccccc1C#N)c1ccccc1 760382049 KSHONVBKKKWGPZ-JOCHJYFZSA-N 445.519 5.341 30 20 IKED C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 766324977 HYADLVWVGUBDFL-SWLSCSKDSA-N 444.329 5.162 30 20 IKED N#C[C@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)c1nc2ccccc2n1C(F)F 769943895 BVDRHMZCHKGBMJ-OZYJXZHSSA-N 439.771 5.907 30 20 IKED C[C@H](N[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1cccc(C#N)c1 775335214 GCBMGIKUBUZPFK-NYHFZMIOSA-N 434.883 5.150 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCCC(=O)c3ccc(F)cc3)n2)cc1 778615886 ZMYPYQPPCXOTMZ-FQEVSTJZSA-N 436.508 5.577 30 20 IKED CC(C)c1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c3ccccc3)cc1)CC2 778941245 PVPLBYIEPYPWFH-CLJLJLNGSA-N 437.543 5.208 30 20 IKED C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)Nc1ccccc1O[C@H](C)C#N 780666986 DOWDBNCJKBTLQI-BVFVYWQFSA-N 425.532 5.588 30 20 IKED C#CCOc1cccc(NC(=O)C(=O)Nc2ccc([C@H](C)Sc3ccccc3)cc2)c1 784623814 DVHUGVNOYVSBFD-SFHVURJKSA-N 430.529 5.129 30 20 IKED N#C[C@H](C(=O)NCc1cccc(Cl)c1)C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 786531985 XRCUTYCZEAHINZ-IBGZPJMESA-N 440.833 5.049 30 20 IKED COCC[C@@H](Cc1cccc(Br)c1)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797571394 OJDRMPLDSVYGMW-DOTOQJQBSA-N 449.414 5.275 30 20 IKED N#CC1(CCCOC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CCOCC1 800102753 GVWFNPWYETVITC-UHFFFAOYSA-N 434.414 5.150 30 20 IKED CC[C@@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2cccc3cccnc23)cc1)c1ccccc1 802799887 MNEFDPTXJJGZEY-LOSJGSFVSA-N 433.511 5.492 30 20 IKED Cc1ccccc1[C@H](O)C1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC1 804521231 QKVCNHCVLSIQQU-HHHXNRCGSA-N 440.543 5.032 30 20 IKED C[C@H](Cc1ccccc1C(F)(F)F)N(C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 805772205 GUJWAJCVJGPRPD-GDBMZVCRSA-N 431.483 5.054 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@](C)(c3ccccc3)CC2)ccc1OC 806806998 SPEUWXYOEVPYMN-BKMJKUGQSA-N 435.568 5.030 30 20 IKED COc1ccc2[nH]c3c(c2c1)C(=O)/C(=C\c1cc(OC)c(OCC(F)F)c(OC)c1)CC3 809157740 NACCJFJPXWKCHX-ZSOIEALJSA-N 443.446 5.050 30 20 IKED N#C[C@H](C(=O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1)c1cc(C(F)(F)F)ccn1 813212079 WYIAOMVMEBPEDF-GHTZIAJQSA-N 430.813 5.750 30 20 IKED COc1ccccc1-c1ncc(CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)cn1 814168206 BVRNDRTUXAHXFO-UHFFFAOYSA-N 440.478 5.354 30 20 IKED COc1ccc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc2c1 815907716 IIWFRUPBZRSROY-HSZRJFAPSA-N 436.467 5.602 30 20 IKED CON=Cc1ccc(C(=O)O[C@@H](C)C(=O)N2c3ccccc3Sc3ccccc32)cc1 853734231 WWZIENXEKABFJN-INIZCTEOSA-N 432.501 5.042 30 20 IKED O=C1NC(=Nc2cccc(C(F)(F)F)c2)S/C1=C\c1csc(-c2ccccn2)n1 915985255 RVYKGMQYBUUNCR-DHDCSXOGSA-N 432.452 5.116 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(C3CCCC3)C2=O)c1 916205478 JMODKLQNKWIATG-OAQYLSRUSA-N 439.556 5.345 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1 916680527 JYEDAZUMGSBTSX-AREMUKBSSA-N 442.538 5.267 30 20 IKED Cc1csc([C@@H](C#N)C(=O)[C@@H](Oc2cccc(Br)c2)c2ccccc2)n1 916843667 AZUVWQOVWGGKLV-HKUYNNGSSA-N 427.323 5.211 30 20 IKED N#C[C@@H](C(=O)c1ccc(SC(F)(F)F)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 916846820 GQLCFVIEDFZUKI-ZDUSSCGKSA-N 449.479 5.378 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCCc2ccc(Cl)c(Cl)c2)cc1Cl 916941081 YFCFEEODOILUNO-AWEZNQCLSA-N 439.726 5.326 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(OCc3csc(C)n3)c2)cc1 916955843 VFSANODILSMWEE-WAIKUNEKSA-N 447.560 5.505 30 20 IKED COc1ccc(CCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1Br 917046557 HWLXHGLCEBCSOV-CYBMUJFWSA-N 449.757 5.530 30 20 IKED COc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920804581 WDKWICACEBKJKI-MRXNPFEDSA-N 428.460 5.132 30 20 IKED Cc1ccccc1C1(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)CCOCC1 920804979 BZVAWEQHQIXTOY-MRXNPFEDSA-N 438.499 5.321 30 20 IKED COc1cc(/C=C2\CSc3ccc(F)cc3C2=O)c([N+](=O)[O-])cc1OCC(F)(F)F 921261338 KTOVSWRUMOTUDS-NYYWCZLTSA-N 443.374 5.056 30 20 IKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)CCC2)cc1 1787648619 IFLRQTUCQKNGNK-UHFFFAOYSA-N 435.833 5.020 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c[nH]nc4c3)CCC2)cc1 1789451234 CHWWKEYABTYXLM-QFIPXVFZSA-N 428.536 5.079 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4cccs4)on3)cc2)CCC1 1789775064 GSAAAASVYNZQMH-UHFFFAOYSA-N 447.560 5.344 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@]4(C)CC4(F)F)CCC3)cc2)c1 1792124366 VLMYZYZKNDJMBM-MWTRTKDXSA-N 437.490 5.107 30 20 IKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)c(F)c(Cl)c1)C2 1793052712 NOFVBUDKPLBDKG-BJWYYQGGSA-N 439.358 5.153 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)CC(=C)C)[C@@H]1c1cccnc1 1810497918 KBBGDONXNMUFOR-FCHUYYIVSA-N 425.617 5.072 30 20 IKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1 1812671727 KUKYPEGDHKHIEV-IFMALSPDSA-N 449.586 5.295 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CSc2ccccc2)[nH]n1 1814442702 QXDLIBWHUCOZMM-HXUWFJFHSA-N 440.613 5.187 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](F)c2ccccc2)n[nH]1 1815556603 BXJPBUYUWCHYDH-CTNGQTDRSA-N 426.536 5.105 30 20 IKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)[nH]n1)C(F)(F)F 1821993248 XARYMAMWEHMFQA-KRWDZBQOSA-N 440.510 5.127 30 20 IKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)[nH]n1 1822584487 RHDKJMZBIQQBDO-SRUXOGRHSA-N 438.616 5.202 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1 1824053415 XJTVYJDHWFYHGN-RUZDIDTESA-N 449.639 5.103 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ncccc23)CC1 1828829057 XHZKZOONODTSNO-ATIYNZHBSA-N 445.607 5.237 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1829065263 XSNMGOYXMCQUOU-RUZDIDTESA-N 449.639 5.103 30 20 IKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(Cl)cccc3Cl)CC2)C1 1829900285 GBCMOORQJGIVPN-HXUWFJFHSA-N 435.395 5.193 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2C(F)(F)F)CC1 1829939345 LWZQYMAOSGQYDX-DYESRHJHSA-N 436.518 5.151 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 1829973767 LCEYLEJRYBAXPG-NRFANRHFSA-N 435.395 5.193 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(CC)cc2)cc1 10173564 OSAIQXARKJEDHY-UHFFFAOYSA-O 431.625 6.273 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(OC)cc1)=C(/S)Nc1ccccc1Cl 10827820 CLVLCACZVLGGAI-UHFFFAOYSA-O 425.961 5.249 30 20 IKED CN(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(Cl)cc2)cc1 10832427 ZSFDUXBVJUMUFH-UHFFFAOYSA-O 446.930 5.023 30 20 IKED CCc1cccc(CC)c1/N=C1\NC(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S1 15231692 QPHLJDKQGBTYFE-SFHVURJKSA-N 429.973 5.021 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc(OC)c(OC)c1)C(=O)c1ccccc1 18064914 GKQWSYSSRNERCA-HAVVHWLPSA-N 443.543 5.734 30 20 IKED CC(C)c1ccc(C(=O)/C(=C(/S)NCc2ccccc2)[n+]2ccc3c(c2)CCCC3)cc1 22730783 SDYSQPHLPVGTHT-UHFFFAOYSA-O 443.636 5.705 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(C)s1)[n+]1ccc(C(C)(C)C)cc1 22732056 WBRACYPGPWFXII-UHFFFAOYSA-O 437.654 6.255 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 29202287 IIJQXXYEUQOCAT-UHFFFAOYSA-N 431.336 5.284 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 32505023 VMWYHCHTGWKQKJ-UHFFFAOYSA-N 448.013 5.036 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCC1CCN(Cc2ccccc2)CC1 63080519 DYTFWROEWKRCRO-UHFFFAOYSA-N 441.600 5.351 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC2CCN(CC3CCCC3)CC2)cc1 63272877 CXFKCLXUFQAJDC-UHFFFAOYSA-N 433.621 5.235 30 20 IKED Cc1nc(-c2cccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)c2)oc1C 64301576 ZHOOEJATVOPAMN-UHFFFAOYSA-N 439.540 6.375 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 108593220 QTXNAJVCPZOMLQ-QFIPXVFZSA-N 437.927 5.162 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)c1nc(-c2ccncc2)cs1 195662407 NAQZLQITHGAFGB-INIZCTEOSA-N 436.949 5.401 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccccc1OCc1ccccc1 303284522 LAEIXASTWSKPHK-IBGZPJMESA-N 432.545 5.535 30 20 IKED CCCc1c(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cnn1-c1ccc(F)cc1 429615432 CNAWGMODXYBYBH-UHFFFAOYSA-N 429.499 5.157 30 20 IKED N#Cc1ccc(NC(=O)c2cccnc2Oc2cccc(Br)c2)c(Cl)c1 430365102 CTLMEEPSEXDEAK-UHFFFAOYSA-N 428.673 5.414 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](c2ccc(F)cc2)C1 432072256 QOINNEHDOWZFTC-QFIPXVFZSA-N 429.495 5.606 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 432679185 HDLUQAYVFWJOAK-NOZRDPDXSA-N 442.950 6.552 30 20 IKED CC(C)(NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1[N+](=O)[O-] 432681485 UWZNXBQMSVTPQZ-UHFFFAOYSA-N 444.491 5.297 30 20 IKED O=C(Nc1cccc(-c2noc(C(F)(F)F)n2)c1)N[C@H](c1cc(F)ccc1F)C(F)F 433822250 RSVRUQOPBIUALT-CYBMUJFWSA-N 448.298 5.162 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC=C(c3ccc(Cl)cc3)CC2)cc1 435114280 ADAZGSOEUKLPTK-UHFFFAOYSA-N 435.955 5.475 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4nc(C5CC5)no4)cc3)n2)cc1 435459608 UOHXJJBWSBBQEZ-LJQANCHMSA-N 442.500 5.236 30 20 IKED COc1cc(F)c([C@H](C)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1OC 437037763 XGYZHAISDJMIJO-MEDUHNTESA-N 439.371 6.206 30 20 IKED CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C#N)cc1OC(F)F 437142502 BFLSEPDLQQBDFB-UHFFFAOYSA-N 441.400 5.028 30 20 IKED CC[C@@H](C)Oc1ccc(NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 437231310 HIWHDYCVWKCYOZ-QGZVFWFLSA-N 429.476 5.105 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@@H](c2ccc(F)cc2)O1 437827460 GWSAOTHHNRZPKU-OSPHWJPCSA-N 431.467 5.484 30 20 IKED CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 438025240 UTQROOKJWIGATA-UGKGYDQZSA-N 438.959 5.124 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(COCc4ccccc4)cc3)CC2)c1 438366899 YKAXKCXWLVYZHE-UHFFFAOYSA-N 441.531 5.350 30 20 IKED Cc1c(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)oc2c1ccc1ccccc12 438616551 CCRQENIHBLNOTN-UHFFFAOYSA-N 425.488 5.281 30 20 IKED Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 438921180 VZABYYSBKOGPJX-UHFFFAOYSA-N 441.556 5.410 30 20 IKED COc1ccccc1NC(=O)c1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1 439309584 ISHZERJUELNECW-NRFANRHFSA-N 428.492 5.114 30 20 IKED CCCc1c(NC(=O)c2cc3c(OC(F)F)cccc3[nH]2)cnn1-c1cccc(C#N)c1 440081327 SHPPAZCUXLCIOJ-UHFFFAOYSA-N 435.434 5.031 30 20 IKED C=CCC[C@H](NC(=O)c1cc(CS(C)(=O)=O)c(C)s1)c1ccc(C(F)(F)F)cc1 441566747 NLONJPSJYUBUPX-KRWDZBQOSA-N 445.528 5.057 30 20 IKED CC(C)c1nn(C)c2sc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc12 442681967 JEWQBLBPRXKOQN-HNNXBMFYSA-N 440.981 6.025 30 20 IKED Cc1c([C@H](C)NC(=O)c2cn(CCCC#N)c3ccccc23)cnn1-c1ccc(F)cc1 443948713 NTAQBJHJWUJDBG-KRWDZBQOSA-N 429.499 5.069 30 20 IKED O=C(Cc1noc(-c2cc(C(F)(F)F)ccc2F)n1)Nc1ccccc1C(F)(F)F 445428404 VZNIFAAXDUHHNA-UHFFFAOYSA-N 433.283 5.095 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)c1C#N 445558530 OJXBCIFETXZYCX-LBPRGKRZSA-N 447.347 5.179 30 20 IKED Cn1cc(NC(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(C(F)(F)F)n1 446349746 PTODREIVNIMYHV-JTQLQIEISA-N 448.289 5.273 30 20 IKED C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC(CC(F)(F)F)CC1 460375905 NAOJJHMARBGGLK-UHFFFAOYSA-N 440.535 5.324 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccccc2NC(=O)N2CCCC2)cc1 464918293 PJHCYCRJUFESTK-UHFFFAOYSA-N 440.503 5.539 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1 474858647 HGDSUOGIUDBLSK-UHFFFAOYSA-N 446.469 5.151 30 20 IKED N#CC[C@H](CC(=O)N1CCC[C@@H]1c1ccccc1I)c1ccccc1 476047150 BNORBHCOLXRVTK-YLJYHZDGSA-N 444.316 5.042 30 20 IKED C=CCOc1ccccc1CNC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 477533456 QRXPURGXMSOFGU-UHFFFAOYSA-N 425.916 5.135 30 20 IKED C=C(C)Cn1c(SCC(=O)N(C)Cc2csc3ccccc23)nnc1-c1ccco1 480829656 QSDGYOOGXYWVNA-UHFFFAOYSA-N 438.578 5.080 30 20 IKED CCS[C@@H](C)c1noc(CN(C)C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)n1 482768579 IMCNYWPKVVMBQR-INIZCTEOSA-N 436.537 5.128 30 20 IKED CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 483369163 CMOBKKDEBOGMPJ-UHFFFAOYSA-N 439.393 5.580 30 20 IKED CCCN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 483633499 GQHDEKRHQOUBCX-AJTFRIOCSA-N 429.539 5.945 30 20 IKED C[C@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)c1ccc(C(C)(C)C#N)cc1 483778171 QMHZABYWJGZHNM-FQEVSTJZSA-N 437.543 5.460 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@@H](c1ccccc1)C(F)(F)F 484282408 RSNAINHWYTUZLW-QFIPXVFZSA-N 438.449 6.120 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccc(-c2ccc3c(c2)C[C@@H](C)O3)cc1 500416968 YLYBIHIQCGVSEW-LJQANCHMSA-N 446.547 5.050 30 20 IKED Cc1noc2nc(-c3ccccc3)cc(C(=O)N(Cc3ccco3)c3ccccc3C#N)c12 501017294 ATMMXQDNXUUKMD-UHFFFAOYSA-N 434.455 5.510 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccoc1C 501097996 DIWHJICJJGUSAD-CYBMUJFWSA-N 427.917 5.589 30 20 IKED C[C@@H](NC(=O)N(C)CCCN(C)Cc1ccco1)c1ccc(-c2cccc(C#N)c2)cc1 501859337 WXVXXDUXWUWYKA-HXUWFJFHSA-N 430.552 5.043 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCCc2ccc(Cl)cc2)cc1 502949075 FUZVMXUTKMFPTL-UHFFFAOYSA-N 433.939 5.739 30 20 IKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(Oc2ccnc3ccccc23)cc1 503386604 LFIALSXVXKBBLG-UHFFFAOYSA-N 443.528 5.242 30 20 IKED N#Cc1ccccc1CN[C@H](c1ccc(F)cc1)c1ccccc1I 504243504 JHIRZQNVEBLVAI-OAQYLSRUSA-N 442.275 5.181 30 20 IKED C=CCc1ccc(OCC(=O)Nc2ccc(Sc3nnc(C)s3)cc2C)c(OC)c1 505902327 AJLZTCCCYYNYDG-UHFFFAOYSA-N 441.578 5.061 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 505938970 RSSATVSPKRMULY-LJQANCHMSA-N 446.860 5.215 30 20 IKED COC(=O)c1cc(NC(=O)c2sc3ccc(C#N)cc3c2C)cc(Br)c1F 507507014 ODFUWCLWHWHPIC-UHFFFAOYSA-N 447.285 5.022 30 20 IKED Cc1cc(-c2cc(C(=O)N(C)c3ccccc3C#N)c3cnn(C(C)C)c3n2)c(C)s1 508103557 OGSAVMNRNJHFAP-UHFFFAOYSA-N 429.549 5.506 30 20 IKED C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 508774125 OQTZDQGEFCXMRF-IBGZPJMESA-N 447.579 5.765 30 20 IKED CCN(C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12)[C@H](C)c1ccc(C#N)cc1 509564973 RGNIXDYNNKRSIS-MRXNPFEDSA-N 428.492 5.503 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(F)c(Br)cc3F)o2)cc1 510163650 BSJFNCQYWYSKFQ-UHFFFAOYSA-N 433.208 5.023 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccccc1Cn1cccn1 510537280 HUBYQHLYUNUBMX-UHFFFAOYSA-N 437.503 5.226 30 20 IKED COc1ccccc1CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)C1CC1 510918899 RFDPDACEHNIBCE-UHFFFAOYSA-N 427.504 5.864 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)cc1 511016620 VEYRIZIKCVHEEB-UHFFFAOYSA-N 443.547 5.327 30 20 IKED C[C@H](N[C@@H](C)c1ccc(C#N)cc1F)c1nc(-c2ccc(Br)cc2)cs1 512672367 KAEKRFIGQLGMPN-STQMWFEESA-N 430.346 5.995 30 20 IKED COc1cc(C)c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1OC 513946186 HXBGHZAQNDQNIK-UHFFFAOYSA-N 433.483 5.257 30 20 IKED COc1ccccc1-c1csc(C2CCN(C(=O)Nc3ccc(C#N)c(F)c3)CC2)n1 515490042 JEKYAXCRQNTEGN-UHFFFAOYSA-N 436.512 5.241 30 20 IKED Cc1cccc(-c2cccc(CNC(=O)C(=O)Nc3ccccc3SC[C@H](C)C#N)c2)c1 518157954 AEVXJWYUVKVJHP-LJQANCHMSA-N 443.572 5.169 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 518568970 OLOKXUMGUCAGNE-HSZRJFAPSA-N 445.906 5.210 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCSc1ccccc1F 518668624 HUQUIPAJLOTHGR-UHFFFAOYSA-N 428.476 5.971 30 20 IKED Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 518668950 WEAXOXPMTZMPGP-UHFFFAOYSA-N 445.466 5.856 30 20 IKED COC(=O)c1ccc2ccccc2c1OCC(=O)Nc1ccccc1S[C@H](C)CC#N 519426438 QTVYIVRWMXHGJF-MRXNPFEDSA-N 434.517 5.038 30 20 IKED Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc12 520826470 WCRDRCNWHZSUHO-HNNXBMFYSA-N 432.574 5.900 30 20 IKED Cc1ccc(OCc2nc(CC(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)cs2)cc1 520889477 IIUJGLYAWLQYSP-JOCHJYFZSA-N 433.577 5.252 30 20 IKED CCCc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)c12 521015047 FVTXIEZVPSNYES-SFHVURJKSA-N 428.414 5.066 30 20 IKED Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 521117406 OFTLRVAKNXSASX-UHFFFAOYSA-N 447.922 5.265 30 20 IKED CCN(Cc1ccc(OC)cc1OC)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 521208370 PVHXWWAWURMFDN-UHFFFAOYSA-N 445.519 5.730 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2cccc(Cl)c2)n1)c1nc(-c2c(F)cccc2F)cs1 521263290 FQDVTDSSDORKBB-CQSZACIVSA-N 440.862 5.417 30 20 IKED N#C[C@@H](C(=O)c1cc(Br)cc2ccccc12)c1nc2ccccc2n1C(F)F 521658888 ACVLVCSRQHRTDL-INIZCTEOSA-N 440.247 5.837 30 20 IKED CCNc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1[N+](=O)[O-] 521734308 LWPUWNMVOWZYIR-UHFFFAOYSA-N 438.431 5.303 30 20 IKED CCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)[nH]c(C)c1C(C)=O 524119785 FTKCOIKIIXCUMZ-UHFFFAOYSA-N 435.911 5.445 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CC=C(c4c[nH]c5cc(F)ccc45)CC3)o2)cc1 524414536 DGTCFGMVKMENRB-UHFFFAOYSA-N 441.462 5.280 30 20 IKED COc1ccc(CN[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)cc1OCCCC#N 532075181 OTJAWOBQKINKOY-RUZDIDTESA-N 438.930 6.049 30 20 IKED N#Cc1cccc(COc2cccc(CNc3cccc(OCc4cscn4)c3)c2)c1 533211344 HMDUIXIJSLZMEX-UHFFFAOYSA-N 427.529 5.785 30 20 IKED C=C[C@@H](CC(=O)N(CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1)c1ccccc1 533950508 WPCRBYFTWMCYBG-FQEVSTJZSA-N 433.939 5.062 30 20 IKED N#CCc1ccc(C(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)cc1 536159377 AKFLZRALTHJPPP-UHFFFAOYSA-N 435.361 5.456 30 20 IKED CCCN1C(=O)CCc2cc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)ccc21 536939454 MZMSRQZBRWIXHC-UHFFFAOYSA-N 425.488 5.292 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1ccc(F)cc1)C1CCCC1 538212017 RAMJLHBQTPHHSU-OSPHWJPCSA-N 425.573 5.537 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)Nc2cccc(OCc3cscn3)c2)cc1 539129294 QZEHVCHKYHWLIF-UHFFFAOYSA-N 440.528 5.582 30 20 IKED C=CCC[C@H](NCc1nc(O)c2oc3ccccc3c2n1)c1ccc(C(F)(F)F)cc1 540432130 KHBYQDYVOFWRBV-KRWDZBQOSA-N 427.426 5.898 30 20 IKED COC(=O)c1cccc(CN[C@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)c1C#N 541644604 JUPBJULUCWKHFO-CYBMUJFWSA-N 425.941 5.281 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1ccc(C(=O)Nc2ccccc2)cc1 554872602 ZLXRBJDRXUYLCZ-UHFFFAOYSA-N 427.891 5.136 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)CCC(=O)c3cc(Cl)sc3Cl)cc2)ccn1 555081170 DJALSRRLCBSMKH-UHFFFAOYSA-N 446.315 5.715 30 20 IKED C=C(C)Cn1c(CC2CCCC2)nnc1N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 555275410 XIZQTNCQYNIPQX-UHFFFAOYSA-N 446.517 5.104 30 20 IKED Cc1sc([C@H](C)NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)nc1-c1ccc(Cl)cc1 556914463 AGAFMYJUADCJBG-ZDUSSCGKSA-N 439.943 5.692 30 20 IKED Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 558771039 FYELVIVYUNISMK-VCSGRIEYSA-N 427.508 5.027 30 20 IKED COc1cc(C#N)ccc1NC(=O)N1CCC(c2nc(-c3ccccc3OC)cs2)CC1 562320530 KUNOKUUSSBDZHB-UHFFFAOYSA-N 448.548 5.110 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N(Cc2ccncc2)C[C@H]2CCCO2)cc1Cl 562842801 BEKFILOWMSDECI-OAQYLSRUSA-N 447.922 5.220 30 20 IKED CCc1ccc([C@@H](C#N)NC(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)cc1 564211902 GASUGKMNHYUZBF-LJQANCHMSA-N 437.952 5.519 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)c1ccc2c(c1)NC(=O)CS2 567532264 QKRYKQWYRYGIIF-UHFFFAOYSA-N 433.920 5.103 30 20 IKED C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 588956436 CYRBYYPULQYAMU-HOCLYGCPSA-N 427.898 5.008 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2cc(Br)ccc2o1 603738493 JPISQGCLCULWFS-UHFFFAOYSA-N 448.276 5.815 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1Cl 603759187 XAQPGTPEMKEYRH-JOCHJYFZSA-N 429.907 5.596 30 20 IKED CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 605191179 OQJXYSVZPRAQRS-RUZDIDTESA-N 449.620 5.183 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)CCc3nc(-c4ccc(Cl)cc4)no3)c2C#N)C1 609052921 IFSGSRPUFYHXBW-LBPRGKRZSA-N 426.929 5.019 30 20 IKED C[C@H]1CCCCN1Cc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 609058327 ZPERBNXFRRYBCX-IBGZPJMESA-N 429.520 5.357 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3cccnc3SCc3ccc(F)cc3)CC2)c1 609184934 LCZNCSNPJPLCCS-UHFFFAOYSA-N 447.535 5.068 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)CCCOc3cccc(Cl)c3Cl)CC2)c1 609185542 AQJZRGBYTBSUCK-UHFFFAOYSA-N 433.335 5.094 30 20 IKED N#CC1CCN(C(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)CC1 609207760 SKWSGJCWRHRTRH-UHFFFAOYSA-N 436.899 5.341 30 20 IKED Cc1nc(NC(=O)[C@@H](Sc2ccccc2F)c2ccccc2)sc1SCC#N 609262146 MFRSTYMAVZJQAO-KRWDZBQOSA-N 429.567 5.678 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NCCc2ccc(OC(F)F)cc2)cc1 609297075 ZMTVYURQZRINFG-UHFFFAOYSA-N 426.394 5.064 30 20 IKED N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)CC1 609428998 FXWIDFVFRGRRCV-DEOSSOPVSA-N 448.526 5.031 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](c1ccccc1)c1cccc2ccccc12 609507472 LWKZAWZQSAKOJD-MUUNZHRXSA-N 436.559 5.405 30 20 IKED CC(C)NC(=O)Nc1ccccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 609515742 AYBITUYSZZQZBS-UHFFFAOYSA-N 428.492 5.327 30 20 IKED COc1cccc(C[C@@]2(C(=O)Nc3ccccc3SC[C@H](C)C#N)C[C@H]3CC[C@H]2C3)c1 609786269 AZZPHITVACXGFR-DROMZSTPSA-N 434.605 5.935 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cccc(Oc3cnccn3)c2)cc1 609906728 KOTZDVBLDHDRPL-UHFFFAOYSA-N 438.462 5.122 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)cc1 610126253 HPJKQARXDGXBGL-RXVVDRJESA-N 436.939 5.929 30 20 IKED C[C@@H](NC(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1)c1cccc(C#N)c1 610407226 ZZVGTBCTXUGEJK-GOSISDBHSA-N 433.531 5.203 30 20 IKED N#CCCN(C(=O)CNc1ccc(C(F)(F)C(F)(F)F)cc1)c1cccc(Cl)c1 610738460 PNJJIGQYDNXSIW-UHFFFAOYSA-N 431.792 5.353 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC(OCc3ccccc3F)CC2)cc1 611363469 NDIABLKUZCDMLY-UHFFFAOYSA-N 443.522 5.255 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H](C(F)(F)F)CC[C@@H]1C 611556950 IHMOTVCMDYFIDB-QFBILLFUSA-N 431.458 5.640 30 20 IKED C[C@@H](NC(=O)COCc1nc2ccccc2s1)c1ccc(-c2cccc(C#N)c2)cc1 611791364 HBYGHKCYWSEEOJ-QGZVFWFLSA-N 427.529 5.229 30 20 IKED CCOc1ccc(Br)cc1-c1noc([C@H]2CCCN2c2ccc(C#N)cc2)n1 615131167 GFVMHZCCQYCTSV-GOSISDBHSA-N 439.313 5.111 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 618750584 WPZFGOHBEKMBDJ-JOCHJYFZSA-N 436.943 5.083 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cc1 626584663 IIBDCKIYTLOSJE-UHFFFAOYSA-N 449.511 5.094 30 20 IKED C=CCCc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 669728963 MRNKEQQIUPJWND-UHFFFAOYSA-N 448.544 5.061 30 20 IKED FC(F)(F)c1nc(N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1Br 672179817 JZHNACWMEXGGMQ-KNVOCYPGSA-N 445.123 5.430 30 20 IKED C=CCOc1ccccc1-c1nc(CC(=O)Nc2ccccc2Oc2ccccc2)no1 685358481 KEWRQNZZIIQXSQ-UHFFFAOYSA-N 427.460 5.275 30 20 IKED C[C@H](C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1c(Cl)cccc1Cl 726030767 XDXSSXBVFSPVDR-AWEZNQCLSA-N 429.303 5.391 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3c(ccc(Cl)c3Cl)C2)cc1 726230112 LMVXOYYGZREVJV-OAQYLSRUSA-N 436.342 6.239 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](c1cc(Br)ccc1F)C(F)(F)F 730405816 NHQWRTXYHLWFEL-QFYYESIMSA-N 446.194 5.074 30 20 IKED C#Cc1cccc(NC(=S)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)c1 731570627 YYQAUFZNLZBFEZ-DEOSSOPVSA-N 425.557 5.454 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cc3oc4ccccc4c3cc2OC)c1 733799468 OJXXJKOJNNEYOI-KRWDZBQOSA-N 429.476 5.597 30 20 IKED C=CC[C@@H](NC(=O)N[C@@H](C)c1ccc(OCc2ccccc2)c(OC)c1)c1ccncc1 734659392 BDEHBRFFLSFXIN-WMZHIEFXSA-N 431.536 5.347 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CC(C)(C)NC(=O)OC(C)(C)C 739550019 HXJYVAPEUMTJJE-UHFFFAOYSA-N 437.540 5.078 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)c3cccc(OCc4cccnc4)c3)c2)s1 739596595 ZSYFCOVLWIQMRC-UHFFFAOYSA-N 425.513 5.191 30 20 IKED CC[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccc2c(c1)OCCO2 740059633 LKGLXVLNFSCYBS-FQEVSTJZSA-N 433.533 5.008 30 20 IKED CC(C)(C)Sc1ccc(NC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 740506585 CGMYUYMEMKCKGC-UHFFFAOYSA-N 449.601 5.432 30 20 IKED C[C@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Br)s1 742537502 KXYUZNFCAWNCHQ-KBXCAEBGSA-N 425.351 5.908 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)c1ccccc1C(F)(F)F 744029324 QWSIISPHSZGXET-JSGCOSHPSA-N 438.833 5.127 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 744030847 NCCCMOVHWDNEGN-HNNXBMFYSA-N 447.709 5.102 30 20 IKED COc1ccc(-c2ncc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)s2)cc1 744031383 VPFFXAIZXQQHEG-AWEZNQCLSA-N 446.315 5.087 30 20 IKED N#C[C@@H]1C(CN2Cc3ccccc3C[C@@H]2c2ccccc2)=CC(=O)n2c1nc1ccccc12 744411748 IRYBQANDEHHCDA-ZEQKJWHPSA-N 430.511 5.023 30 20 IKED CCc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)o2)cc1 745597496 OMDHKFQAJRXOAD-KRWDZBQOSA-N 448.544 5.699 30 20 IKED O=C(/C=C/c1ccc(OCc2occc2C(=O)O)cc1)c1ccc(-c2ccncc2)cc1 745990663 WEKPFNNJDOBUPQ-XCVCLJGOSA-N 425.440 5.515 30 20 IKED CC(C)c1cccc(C(C)C)c1NC(=O)CON=Cc1cccc(OCc2ccncc2)c1 746330685 BGXMPUXVGPJQPK-UHFFFAOYSA-N 445.563 5.897 30 20 IKED CCc1ccc(OCc2nn(CN(C)C[C@@H](C)C#N)c(=S)n2[C@H](C)c2ccccc2)cc1 746705842 CCTRCAQWTJOQQX-VQTJNVASSA-N 449.624 5.214 30 20 IKED C=CCOc1c(Br)cc(/C=C/C(=O)c2c(C)nn(CC)c2C)cc1OCC 750913524 OAVNYHQMOFOOHW-MDZDMXLPSA-N 433.346 5.142 30 20 IKED O=C1/C(=C\c2cnc(-c3ccccn3)s2)CC/C1=C\c1cnc(-c2ccccn2)s1 753135084 NHYNJDIUYAELOO-UKVBVZPVSA-N 428.542 5.554 30 20 IKED CC#CCCNC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 756144553 FPLIACRLQIVDOT-UHFFFAOYSA-N 425.604 5.099 30 20 IKED CC(C)(C)Oc1cccc(CCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)n1 758518029 NOOLXVSZCMTSEY-HNNXBMFYSA-N 441.503 5.470 30 20 IKED Cc1c(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cnc(Cl)c1Br 760056293 ONUAYOLNQXGXNT-GOEBONIOSA-N 433.737 5.110 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccco2)s1 767487841 VIFYFDHDIXBWKK-AWEZNQCLSA-N 426.519 5.055 30 20 IKED COc1cc2c(cc1NC(=O)[C@@H](C#N)c1nc3ccccc3n1C(F)F)oc1ccccc12 774546257 MVNRMJCDMZOZEZ-HNNXBMFYSA-N 446.413 5.585 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 780149823 FZDYTQZGMDEONZ-KRWDZBQOSA-N 427.479 5.836 30 20 IKED Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccccc2O[C@H](C)C#N)cc1 780150930 IZMRGQMTAMKMFY-HXUWFJFHSA-N 436.515 5.450 30 20 IKED CCCCCCn1c(-c2c[nH]c3ccccc23)nn(CN2CCC(CC#N)CC2)c1=S 781572962 XUDKDWZAWVUSOJ-UHFFFAOYSA-N 436.629 5.726 30 20 IKED CC(C)[C@@H]1C[C@H](CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CCO1 781783902 XWFOCFAMVQRDPM-OWZDWXTDSA-N 437.392 6.134 30 20 IKED COc1ccc(/C=C2/N=C(S[C@@H]3CC[C@H](C#N)C3)N(c3cc(C)cc(C)c3)C2=O)cc1 788096711 NVICSYFXIDUEJS-YCBLCKBMSA-N 431.561 5.481 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 789457682 VJMYHFLVOKSJHU-IBGZPJMESA-N 429.605 5.649 30 20 IKED N#CC[C@@H](CC(=O)OCc1coc(-c2ccc(Br)cc2)n1)c1ccccc1 795981488 CLIZPONVMDZSBJ-KRWDZBQOSA-N 425.282 5.235 30 20 IKED C#Cc1cccc(NC(=S)N(Cc2ccc(C)cc2Br)C[C@@H]2CCCO2)c1 798374654 XFFDNDOEDGBIFN-FQEVSTJZSA-N 443.410 5.117 30 20 IKED N#C[C@H](COC(=O)c1ncccc1Oc1ccccc1)Cc1ccccc1Br 799629046 OYFZBDJURNNKMD-MRXNPFEDSA-N 437.293 5.176 30 20 IKED C[C@@H]1CCCN(c2ccc(CNCc3cn(CCC#N)nc3-c3ccncc3)cc2Cl)C1 800276638 PHXIGRPMKYTJSB-LJQANCHMSA-N 449.002 5.038 30 20 IKED C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)Nc1ccc(OCC(F)(F)F)c(F)c1 800497731 QOKJMECHLFWFOA-NSHDSACASA-N 438.343 5.615 30 20 IKED Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)[C@@H](C#N)c2nc3ccccc3n2C)cs1 810520159 UCIWGYDVOMUVNX-QGZVFWFLSA-N 432.524 5.298 30 20 IKED C=CC[C@H](NC(=O)N[C@H]1CCCc2c1[nH]c1ccc(Br)cc21)c1ccncc1 812047482 HKSZWJFSJKFJPC-ICSRJNTNSA-N 439.357 5.319 30 20 IKED C#C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1)c1ccc(F)cc1 813041597 MRJRWJPZUJOTGW-UZUQRXQVSA-N 432.520 5.108 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 815011050 YPJDWKZCOJXKMD-IBGZPJMESA-N 425.366 5.521 30 20 IKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1nc2ccccc2s1 915099421 VERXUGSPRGOOCM-RXVVDRJESA-N 439.540 5.178 30 20 IKED N#C[C@H](C(=O)/C=C\c1ccccc1OC(F)(F)F)C(=O)Nc1ccc(Cl)cc1Cl 916930939 IDXSYLSXVIUJQZ-DMTLFAOVSA-N 443.208 5.253 30 20 IKED CSc1ccc(N2C[C@@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)CC2=O)cc1 916974408 KOUJNDMJHQDRJQ-FXAWDEMLSA-N 447.585 5.070 30 20 IKED COc1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916996695 OCSQMMSEYDGULD-SJCJKPOMSA-N 447.343 5.769 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccsc2)C1=O)Nc1ccccc1 917677268 AERDPSWJWFOVPY-IBGZPJMESA-N 439.537 5.048 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCCCN1C(=O)c1ccccc1 920018848 XIQIAJWEHXBKIG-VWLOTQADSA-N 439.515 5.292 30 20 IKED N#C[C@H](C(=O)C1(c2ccccc2F)CCCC1)c1nc(-c2c(F)cccc2F)cs1 920804491 RWLHRJAHBJCODH-CQSZACIVSA-N 426.463 5.916 30 20 IKED CC(C)C(=O)Nc1ccc(N=Cc2cc(Br)cc(Br)c2O)cc1 920942203 QSCSBOYOKIOBGS-UHFFFAOYSA-N 440.135 5.262 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4cc(F)c(F)c(F)c4)CCC3)cc2)C1 1785810574 RODYJCBDMYQMKD-FPYGCLRLSA-N 440.465 5.217 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4ccccc34)CCC2)cc1 1786103722 VILZAXYVVKLYGT-UHFFFAOYSA-N 428.536 5.079 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C(C)=C/c2cccs2)n[nH]1 1814411249 SKYRQRZYEGRKJJ-JLAJQXPRSA-N 438.597 5.335 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC(F)(F)F)CC1 1824140061 WFMKGDYDARYZHY-HXUWFJFHSA-N 428.539 5.107 30 20 IKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)CCC3CCCC3)CC2)c1 1826265074 RPUXCIQFYJKWTD-AREMUKBSSA-N 449.639 5.081 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CSc2ccccc2)CC1 1826519799 ATYQSZJPNDKHAR-RPWUZVMVSA-N 440.653 5.167 30 20 IKED Cc1ccccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829689415 DGZQTYVVVBJKOG-QHCPKHFHSA-N 449.982 5.067 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)CC1 1831378101 RPIPXXUCTLHXPI-CWJKEVGVSA-N 442.566 5.187 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832632547 STMGTQNHURZRQL-BWKNWUBXSA-N 449.639 5.539 30 20 IKED N#CCSc1nnc(-c2ccccc2Br)n1-c1cccc(C(F)(F)F)c1 9250643 WWJLDNGVSSULMQ-UHFFFAOYSA-N 439.260 5.331 30 20 IKED Cc1c(Cl)cccc1N/C(S)=C(\C(=O)c1ccc(C(C)C)cc1)[n+]1cccc(O)c1 11258665 QOPHXBPFGBHKPP-UHFFFAOYSA-O 439.988 5.816 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c(Cl)cccc1Cl 14091525 REMAMCLVRALTRV-UHFFFAOYSA-N 433.364 5.093 30 20 IKED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1ncnc2scc(-c3ccc(F)cc3)c12 22128986 QRQGHOVSPURMNE-ASSNKEHSSA-N 428.558 5.032 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2ccccc2)cc1 22731085 GORIZNXRHVTBRD-UHFFFAOYSA-O 446.379 5.731 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1-c1ccc(OC)cc1 23998091 VGNLNKHQETZTFV-HNNXBMFYSA-N 442.972 5.221 30 20 IKED C=CCn1c(SCc2csc(-c3ccccc3OC)n2)nnc1-c1cccc(C)c1 30684791 BAOSYGHIHQMCRS-UHFFFAOYSA-N 434.590 5.864 30 20 IKED C[C@@H](NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1ccc(C#N)cc1 31432522 YVWDCTKBECZAAH-CQSZACIVSA-N 438.314 5.608 30 20 IKED Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c2cnn(C(C)C)c2n1 46893469 MFLSBFALZIWPBE-NRFANRHFSA-N 443.938 5.882 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)nnc1-c1cccc(C)c1 195678428 QWXJCDNEMMWBIQ-QGZVFWFLSA-N 441.000 5.405 30 20 IKED N#CCCn1cc(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c2ccccc21 255932315 UYSIINFGSSICHL-UHFFFAOYSA-N 441.560 5.047 30 20 IKED Cc1ccc([C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)N2CCCC2)o1 303181909 XJATZKMJKAQAPB-QHCPKHFHSA-N 430.508 5.211 30 20 IKED N#Cc1c(NC(=O)c2ccc(Br)cc2Br)sc2c1CCCC2 318523261 RUZHZTKOBHKNMG-UHFFFAOYSA-N 440.160 5.276 30 20 IKED COCCN(C(=O)Nc1ccc(C#N)cc1Cl)[C@@H](C)c1cccc(C(F)(F)F)c1 426156686 LUGCOKWUXAMXAD-ZDUSSCGKSA-N 425.838 5.472 30 20 IKED C[C@@H](c1cccc(Br)c1)[S@@](=O)Cc1cc(C#N)ccc1Br 427477973 DAJXIMQFMOIAPW-MQJDWESPSA-N 427.161 5.093 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc3nnc(C4CCC4)n3c2)cc1 428359817 BVGQHXYZABUUKQ-UHFFFAOYSA-N 439.544 5.413 30 20 IKED N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3ccccc3Oc3ccccc3Cl)C2)nc1 432641327 IGODQOVEBLZQJO-QGZVFWFLSA-N 434.883 5.084 30 20 IKED COc1ccc(-c2ncc(C(=O)N(Cc3ccco3)c3ccccc3C#N)s2)cc1OC 435622063 BPTKILAXLAWRIV-UHFFFAOYSA-N 445.500 5.139 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1)c1ccccc1 435742150 SPWSXPYNBHQJNM-QFIPXVFZSA-N 439.515 5.181 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)cc1 437014197 KSRQABHCCDUBMU-XGAFWQRZSA-N 445.906 5.005 30 20 IKED COc1ccccc1C[C@@H](C)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 437747001 NQJJRAKNEFOLEI-HXUWFJFHSA-N 443.547 5.435 30 20 IKED N#CCC[C@@H](NC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1ccccc1 439308527 WPDZDRIFUDMTKF-JOCHJYFZSA-N 438.959 5.569 30 20 IKED COc1cccc(C2(F)CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)c1 439491059 AADQMWCEAALLDN-QGZVFWFLSA-N 427.545 5.440 30 20 IKED C=CCC[C@H](NC(=O)N[C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(C(F)(F)F)cc1 441531237 CWPQPIKLQXRWCD-BJLQDIEVSA-N 428.520 5.067 30 20 IKED CC(C)(CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)CC(=O)c1ccccc1 442303893 YBFYXFJURMYXJE-UHFFFAOYSA-N 440.543 5.959 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H](C)c1ccc(-c2ccccc2)cc1 442507781 CATISFFOXJTCQF-LJQANCHMSA-N 441.531 5.171 30 20 IKED C=CCN(C(=O)Cn1c(-c2scnc2C)nc2ccccc21)c1nc2c(s1)CCCC2 443800245 JQQZPHAIJUIWEX-UHFFFAOYSA-N 449.605 5.023 30 20 IKED CCN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@H](c1ccc(C)cc1)c1cccnc1 444270034 QSYMTMPBTUHIPO-HHHXNRCGSA-N 436.559 5.900 30 20 IKED Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)c2cc(F)cc(C(F)(F)F)c2)n1 448454268 IVNYJLNVEYLTKQ-UHFFFAOYSA-N 433.283 5.474 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N(C)S(=O)(=O)c2cccc(Cl)c2C#N)cc1 462503682 RUTIISUKWDZLRO-MRXNPFEDSA-N 440.952 5.269 30 20 IKED C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCCC(=O)Nc1ccccc1C#N 462585414 VTVGTTJFMAMKGN-NRFANRHFSA-N 425.532 5.457 30 20 IKED COc1ccc(-c2n[nH]cc2C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 464524470 NFUIEKRPCSHGNV-QGZVFWFLSA-N 434.908 5.352 30 20 IKED C[C@@H](Sc1cccc(C#N)c1)C(=O)Nc1ccc(Br)cc1Br 468655977 QGRORJIQLPAKHV-SNVBAGLBSA-N 440.160 5.203 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@H]3CCCc4ccc(Br)cc43)ccc21 469311049 ZUFCAQZHWWVGNC-NRFANRHFSA-N 438.369 5.522 30 20 IKED C[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc2ccccc2s1 470533968 XMQFWDLMANHVIK-INIZCTEOSA-N 432.549 5.367 30 20 IKED CCC[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(F)cc1F 470567639 ZFFATJWUBBTOCP-NRFANRHFSA-N 440.494 5.211 30 20 IKED N#Cc1ccc(NC(=O)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1C(F)(F)F 475389299 ASZLCHFTRPDFQW-QGZVFWFLSA-N 443.347 5.201 30 20 IKED C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1 475406296 GICOBDSMOXTGKP-UHFFFAOYSA-N 440.330 5.209 30 20 IKED COc1ccc2ccccc2c1-c1cc(CNC(=O)C[C@H](CC#N)c2ccccc2)on1 476594577 JLDDLZVNYOCSSN-FQEVSTJZSA-N 425.488 5.207 30 20 IKED CN(Cc1ncc(-c2ccccc2)[nH]1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 478504940 DWPYOVCHKAPEHM-UHFFFAOYSA-N 438.556 5.513 30 20 IKED CC[C@H](NC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1nc(C(F)(F)F)cs1 482373228 RHEDGRKYCCKGMS-CABZTGNLSA-N 447.351 5.494 30 20 IKED C[C@H](c1c(F)cccc1F)N(C)C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482457991 UGYZMOYYDHGURV-HWPZZCPQSA-N 438.343 5.572 30 20 IKED N#C[C@H](C(=O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1)c1cnc2ccccc2n1 483213432 LVPZPGOIWRTZCD-KRWDZBQOSA-N 446.293 5.658 30 20 IKED C[C@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 483318887 DBEWGOCCGIAPRD-QGZVFWFLSA-N 433.483 5.077 30 20 IKED COc1ccc([C@H](Cc2ccccc2C)NC(=O)CSc2ccc(C#N)cc2)cc1OC 483622733 XRKMMTFPFYENNK-QHCPKHFHSA-N 446.572 5.076 30 20 IKED CCC(CC)(CNC(=O)CCc1c(C)nc(O)c(C#N)c1C)c1ccc(Cl)c(Cl)c1 483940065 JHTQAQSYOAPQQM-UHFFFAOYSA-N 448.394 5.389 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(-c3ccccc3C)nn2C)cc1C 486517779 MWMNJCMJXYCQFM-UHFFFAOYSA-N 438.535 5.042 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)CCOc3ccccc3)s2)c(C(F)(F)F)c1 487356890 RTDAQKHPWICLIT-UHFFFAOYSA-N 431.439 5.032 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC4(CC3)OCCc3ccsc34)cc2)cc1 490431468 JAPBDRFQWWILOL-UHFFFAOYSA-N 445.544 5.508 30 20 IKED C=CCN(C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C)c1nc(-c2ccccc2)cs1 496883542 VFJOHCKCVNVTHL-UHFFFAOYSA-N 445.592 6.092 30 20 IKED N#Cc1cc(C(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cnc1C(F)(F)F 498699610 AXEIUQUFGIXPGF-CYBMUJFWSA-N 441.253 5.024 30 20 IKED C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1 500336008 LMIDHEBUQWKNBS-AUUXCDECSA-N 438.955 5.406 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCCC[C@H]3Cc3ccccc3)s2)cc1 503257723 GAJCTXYBUUXCQN-FQEVSTJZSA-N 449.605 5.331 30 20 IKED Cn1c([C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c2ccccc2)nc2ccccc21 504430811 GORFTFNYPBZFKJ-AREMUKBSSA-N 447.542 5.033 30 20 IKED Cc1ccc(OCc2nc(CC(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cs2)cc1 505338923 ROOKOJZUPVWQGW-SFHVURJKSA-N 446.359 5.261 30 20 IKED Cc1cc2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)c3nnc4n3CCCCC4)c2cc1C 505451558 QXSPFBMZWPDCOK-JOCHJYFZSA-N 435.531 5.327 30 20 IKED CSc1nc(-c2ccco2)nc(C)c1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 505955240 UNNRVHOYWNCXPH-AWEZNQCLSA-N 433.320 5.068 30 20 IKED CCOc1cc(C(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)ccc1OCc1cccnc1 509574887 KQJYEIIPHCPHDL-LJQANCHMSA-N 429.520 5.154 30 20 IKED N#CCCn1cc(CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(-c2ccccc2)n1 510412836 LBEBLGMPVZZTRI-UHFFFAOYSA-N 449.533 5.677 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N[C@H]3CCc4c3ccc(Cl)c4Cl)CC2)c(F)c1 512267881 HCIYLWANEANLKZ-IBGZPJMESA-N 432.326 5.024 30 20 IKED N#C[C@@H](C(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)c1nc2ccccc2s1 513652960 DDIJRICLXUWRQF-KRWDZBQOSA-N 440.553 5.760 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1 517467924 AQHQLEWCZAXLHB-HUUCEWRRSA-N 449.498 5.115 30 20 IKED COc1ccc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1Br 518259424 LBLOWLVFCIGHFG-CYBMUJFWSA-N 434.359 5.174 30 20 IKED CCOc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC 520473695 HNHYIPTYAFSHAZ-SFHVURJKSA-N 445.519 5.949 30 20 IKED COc1ccc(Br)c2[nH]c(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc12 521329732 LPXUZNUYZGOQFK-LBPRGKRZSA-N 444.354 5.586 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@@H](N3CCCC3)C2)cc1Cl 521700188 VMUPLAZBQQBBPF-FYYLOGMGSA-N 436.987 5.478 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C[C@H](c1ccccc1)C(F)(F)F 521733249 BVIUONAXXWBBCK-OAHLLOKOSA-N 446.416 6.386 30 20 IKED CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1 522314060 IPLJNSXMIPLJQC-UHFFFAOYSA-N 433.895 5.391 30 20 IKED COc1ccc(NC(C)=O)cc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 522573427 UEPLMTUWYIYOBF-UHFFFAOYSA-N 435.867 5.223 30 20 IKED O=C(NCC1(c2ccc(F)cc2)CCCC1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 522681087 JHEHZTKKEQFQNJ-UHFFFAOYSA-N 426.376 5.164 30 20 IKED CN(Cc1nc2ccccc2s1)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 524191636 FVENHOXRXTXQCB-UHFFFAOYSA-N 433.920 5.886 30 20 IKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)N1CCN(c2ccccc2C#N)CC1 524436276 LOCSXLSQOLBBEO-NRFANRHFSA-N 440.547 5.361 30 20 IKED Cc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1Oc1ccncc1 524504925 HPODFHOJNFNNPJ-UHFFFAOYSA-N 449.510 6.080 30 20 IKED N#Cc1ccc(-c2nnc(CSc3nc4ccccc4n3-c3ccc(F)cc3)o2)cc1 525116310 STQVLFGMDUNXLP-UHFFFAOYSA-N 427.464 5.379 30 20 IKED C=CCN(C(=O)c1ccc(NC(=O)CC(C)C)c(F)c1)c1nc(-c2ccccc2)cs1 525631239 XFIIDWQJEXGJGG-UHFFFAOYSA-N 437.540 5.767 30 20 IKED C[C@H](Cc1nc2ccccc2s1)NC(=O)c1ccccc1Sc1ccccc1C#N 531803392 BWULNDGJGQAHMZ-MRXNPFEDSA-N 429.570 5.680 30 20 IKED CN(C(=O)c1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1)c1ccccc1 534583758 MOTWMTQQKQPHDP-IBGZPJMESA-N 444.441 5.198 30 20 IKED CCc1nc(-c2ccccc2NC(=O)c2ccc(Sc3ccccc3C#N)cc2)n[nH]1 535194234 DFHHASOMKYJNDV-UHFFFAOYSA-N 425.517 5.309 30 20 IKED CC(C)(C)OCc1ccccc1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 536973363 BNYCNCDPHIKZCQ-VWLOTQADSA-N 428.532 5.575 30 20 IKED N#Cc1ccc(NC2CC2)c(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)c1 538820117 SHKDUGIMNJVVPA-UHFFFAOYSA-N 436.924 5.352 30 20 IKED N#CCC1CCN(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)CC1 541970754 QJPWAOJEAXGQHV-UHFFFAOYSA-N 430.430 5.115 30 20 IKED CO[C@@H](C)c1nc(Cc2noc(-c3ccc(Oc4cccc(F)c4C#N)cc3)n2)cs1 545117127 HROFWGFCMNFKBP-ZDUSSCGKSA-N 436.468 5.294 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCc1cc(Br)ccc1F 553319860 GFLFAGWXYZAGCQ-ZDUSSCGKSA-N 436.350 5.347 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 558344484 NZNMTIWYTKAFPC-INIZCTEOSA-N 438.528 5.167 30 20 IKED CC[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1nc(C(F)(F)F)cs1 558510565 AGTQDYKIJKKCLL-INIZCTEOSA-N 447.442 5.494 30 20 IKED C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC(CC#N)CC1 559003838 NZOZEGVWYYWPAC-UHFFFAOYSA-N 434.769 5.067 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C4CCOCC4)CC3)cc2Cl)cc1 562533636 QRHVHPHDOYTHON-UHFFFAOYSA-N 439.943 5.674 30 20 IKED C=C(C)Cn1c(Cc2ccc3ccccc3c2)nnc1N1CCC(n2cc(Cl)cn2)CC1 576244340 QHAAXAQJJXYFNY-UHFFFAOYSA-N 446.986 5.290 30 20 IKED C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Br)cc1F 583291412 NBIKLEHDXHKGJX-OLZOCXBDSA-N 436.350 5.723 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)cn2)c1 603637885 FIBNGVKAWPQUOD-UHFFFAOYSA-N 446.466 5.449 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2ccccc2c2cccnc12 603738870 DXERLNPYKISWDM-UHFFFAOYSA-N 430.467 6.008 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1 604134209 FPDSJKRBECSAKL-LJQANCHMSA-N 442.425 5.372 30 20 IKED C=CCn1c(SCc2ccc(Oc3ccccc3F)c(F)c2)nnc1-c1ccncc1 605446376 CGWLIAICHUGVHD-UHFFFAOYSA-N 436.487 5.889 30 20 IKED N#Cc1ccc(N2CCC(NC(=O)Nc3ccccc3Oc3ccc(Cl)cc3)CC2)nc1 608995784 ZMKCCFLMHGDLSG-UHFFFAOYSA-N 447.926 5.189 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 609020262 RABNEALZYGZPOH-UHFFFAOYSA-N 442.450 5.429 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C 609026672 ZDFYKFSNUGFWPU-GFCCVEGCSA-N 448.832 5.037 30 20 IKED COc1ccccc1[C@H]1CCCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 609047098 SVFSVNSJGUFENF-RUZDIDTESA-N 441.531 5.709 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1cc(Br)ccc1F 609398268 OYZJXCLXFBWHKM-ZDUSSCGKSA-N 436.350 5.504 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c3c(C)noc3n2)c(C)o1 609427611 RKZRAVRYRCBXJN-AWEZNQCLSA-N 446.532 6.055 30 20 IKED CN(C)CCCOc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 609505193 HOLDSSYTBSNRBL-UHFFFAOYSA-N 429.520 5.128 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1c(C)ccc2ncccc12 609542134 OSVNKSKFHNHGOJ-UHFFFAOYSA-N 445.519 5.258 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cccc(CSCc2ccccc2)c1 609696859 OPLQBJRQKADVJS-UHFFFAOYSA-N 431.561 5.280 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccccc3NC(=O)N3CCCC3)c2)cc1 609991199 JMLUOSBEPXXQSO-UHFFFAOYSA-N 425.492 5.182 30 20 IKED CC(C)n1ncc(C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)c1-c1ccccc1 617141992 ILNBUUOJAMBDSR-LJQANCHMSA-N 428.414 5.024 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3nc(-c4ccccc4F)cs3)cn2)c1 618751149 AIFLZBDAXUZEIX-UHFFFAOYSA-N 445.479 5.330 30 20 IKED CC(C)c1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccccc2)cc1 726571519 WPEMYEFBWKFGMS-UHFFFAOYSA-O 434.972 5.946 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C)s2)[n+]2ccc3c(c2)CCCC3)c1 726573052 XUFAYUZGDJQEIC-UHFFFAOYSA-O 431.606 5.527 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)c1 728181700 XWJGYPNBVNAYBY-VWLOTQADSA-N 426.541 5.227 30 20 IKED COc1cc2c(cc1NC(=O)N1CCC(Oc3ccc(C#N)cc3)CC1)oc1ccccc12 728938550 RNEVHTPMGDLIRL-UHFFFAOYSA-N 441.487 5.542 30 20 IKED Cn1c([C@@H](C#N)C(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)nc2ccccc21 730072439 WOYAUCBVSHDYJC-GAJHUEQPSA-N 433.483 5.561 30 20 IKED N#C[C@H](NC(=O)c1ccccc1COc1cccc(C=O)c1)c1ccc(Cl)c(Cl)c1 731645759 RXSKMNVRCQBHLZ-QFIPXVFZSA-N 439.298 5.380 30 20 IKED CCCC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1cccc([N+](=O)[O-])c1 733080824 CKPGZQFIWAXAKI-UHFFFAOYSA-N 430.390 5.082 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)c1 733774172 BBWQEELCZHVWQP-LJQANCHMSA-N 435.549 5.208 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCCCSc2nccs2)c1 735053836 MDTVUDHATSXHAL-UHFFFAOYSA-N 429.954 5.373 30 20 IKED COCCOc1ccc(C(=O)/C=C/c2cc(Cl)ccc2Br)cc1OC 742433136 QOHDOZGJAIEJTQ-XVNBXDOJSA-N 425.706 5.032 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)o1 742537490 KPWPPLPHKSXXMT-OAQYLSRUSA-N 431.492 5.212 30 20 IKED CC(C)=CC(=O)NCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 744033332 ZFFIJCFOHQWSOW-OAQYLSRUSA-N 429.545 5.191 30 20 IKED C[C@H](CC(=O)c1cccc(F)c1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 744034303 GITNYWZTAFKXFR-FZKQIMNGSA-N 426.900 5.688 30 20 IKED Cc1nn(C)c(C)c1C[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 744035797 QSITXFSJDJWIMA-APPDUMDISA-N 447.391 5.522 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)c1nc2cc(C(F)(F)F)ccc2s1 744038370 RNPIEEXCINNRPL-RBSFLKMASA-N 444.434 5.066 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)C(C)(C)c1ccc2ccccc2c1 745416410 JRCYBMKPRHYQDD-LJQANCHMSA-N 444.531 5.005 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(Br)c(F)c2)cc1 746661052 XHZCBIBJVNDEOG-IBGZPJMESA-N 438.300 5.565 30 20 IKED C=CCn1c(Cc2ccccc2)nn(CN(C)C[C@H]2CCCO[C@H]2c2ccccc2)c1=S 747802257 CCGVGDMGBOEWBA-NOZRDPDXSA-N 448.636 5.248 30 20 IKED O=C(/C=C\c1cnc(-c2cccs2)s1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 751512842 GHILOPYCNUGOPD-YVMONPNESA-N 443.493 5.104 30 20 IKED COc1cc(C=NOCc2coc(-c3ccc(C(F)(F)F)cc3)n2)ccc1OC(C)C 755814245 LQTQQLASTCFQIL-UHFFFAOYSA-N 434.414 5.707 30 20 IKED CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)Nc1ccc(F)cc1OCC#N 761663137 XYKKZAVCPLFSRF-UHFFFAOYSA-N 436.487 5.260 30 20 IKED CCn1c(COc2ccc(C)cc2)nn(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1=S 765046342 BNJWMWALAKFPSB-XZOQPEGZSA-N 447.608 5.051 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H]2CCSc3ccc(Br)cc32)ccc1OC 772985966 MGRDXYXURZFJNW-AEFFLSMTSA-N 447.398 5.465 30 20 IKED Cc1ccccc1Sc1ccc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1 773078303 PBPBDFLKIPHVBR-UHFFFAOYSA-N 443.572 5.231 30 20 IKED CC(C)(C)OC(=O)N1CCCc2c(C(=O)Nc3cccc(OCCCC#N)c3)cccc21 778525337 LCEHYUFJZLSUQP-UHFFFAOYSA-N 435.524 5.309 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H](c2ccc(F)cc2)c2ccccc2Cl)ccc1OC 779103567 ZSJSESPKMJRKCM-CPJSRVTESA-N 438.930 6.048 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1cccnc1Oc1ccc(Br)cc1 780162723 YJQFRZAAWGLBDP-AWEZNQCLSA-N 438.281 5.180 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCCc2nc(C)sc21 780870234 OFDWHZHIFKHJBL-KRWDZBQOSA-N 438.366 5.128 30 20 IKED CC(C)(C)OC(=O)NCCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 781762763 GNSXTNLVKQWMRJ-MRXNPFEDSA-N 433.961 5.335 30 20 IKED CC(C)(C)c1ccc(OCc2nnc(S)n2N=Cc2cnc(-c3ccco3)s2)cc1 782152883 USEPFTFNKQGJJK-UHFFFAOYSA-N 439.566 5.042 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 786511889 HHOKIBVIZGJEIU-HBUWYVDXSA-N 442.346 5.555 30 20 IKED CC(=NOCc1ccc(Br)c([N+](=O)[O-])c1)c1nc2ccccc2n1C(F)F 786892790 BBTJQVGDYPEOEN-UHFFFAOYSA-N 439.216 5.043 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(Br)cc2C(F)(F)F)cc(OC)c1O 790234108 YFZTYDRFDLJJPC-ZZXKWVIFSA-N 431.204 5.087 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(C(F)F)cc1 794470275 DGEWBHBUMSQXDV-UHFFFAOYSA-N 429.879 5.907 30 20 IKED Cc1cc(-c2csc(NC(=O)c3ccnc(C#N)c3)n2)c(C)n1Cc1ccccc1Cl 794896202 GFNCSXNDFINLQP-UHFFFAOYSA-N 447.951 5.449 30 20 IKED CSc1nc2ccc(NC(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)cc2s1 806131848 PMXMCBNPDSVIHG-UHFFFAOYSA-N 442.541 5.104 30 20 IKED C#CC[C@@H](Cc1ccccc1)NC(=O)c1oc2ccccc2c1CSc1nnc(C)s1 808922010 GHJDAEPLNRXGNA-SFHVURJKSA-N 447.585 5.249 30 20 IKED FC(F)(F)c1cccc(NC(=S)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 914707719 ZCGQVGYHQHCVRH-IAZYJMLFSA-N 438.359 5.901 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)cc1OC 914769250 DTHNIZJVEJWEDM-WQLSENKSSA-N 442.487 5.398 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1 915179889 JPOCILPFSYQTDC-DEOSSOPVSA-N 448.551 5.899 30 20 IKED Cc1ccc(C)n1-c1nc(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cs1 915863079 SAZPZTYTIBSLOB-QHCPKHFHSA-N 426.545 5.387 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2cccs2)n1)C(=O)Nc1ccc(SC(F)F)cc1 916887123 MNLIWFDSPUFYFK-AWEZNQCLSA-N 449.529 5.076 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(Cc3ccccc3)nc2C)cc1 916915684 NQVYQAAXGDSHFG-NRFANRHFSA-N 431.561 5.346 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 916925219 HCXUUCVGCGQPJV-QFIPXVFZSA-N 440.499 5.063 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 916945049 RAWQUOVLLATLBG-QGZVFWFLSA-N 448.306 5.302 30 20 IKED COc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cs2)cc1 916945792 DKQGDEAIIUAOLW-MRXNPFEDSA-N 446.315 5.087 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(NC(=O)C(C)(C)C)cc2C)cc1 916954881 LHEWFGUKNVUYSU-KBXCAEBGSA-N 439.581 5.516 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\CCOc3ccc(F)cc3C2=O)cs1 917560131 HLXZYRQAYNPPLT-GXDHUFHOSA-N 442.899 5.669 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)cc1 918486454 IEYQGCVOBSDJGH-OAHLLOKOSA-N 445.327 5.692 30 20 IKED C=CC(=O)NCc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 919987362 AGBXKMCXJPHLDK-UHFFFAOYSA-N 431.879 5.058 30 20 IKED COc1ccc(OCc2nc(/C=C\C(=O)c3ccc(Br)cc3)cs2)cc1 920062980 MFCUKHSFFPPVPG-WDZFZDKYSA-N 430.323 5.389 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 920106150 LEMJBWGDDCLJMI-FQEVSTJZSA-N 436.515 5.272 30 20 IKED C=CCn1c(C2CC2)nn(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1=S 921050868 DKEHQOZTNDZMET-UHFFFAOYSA-N 429.977 5.109 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3OCCc4ccccc43)CCC2)cc1 1791244441 SXOCXUMRXXORMB-DVECYGJZSA-N 432.564 5.037 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@@]3(F)CCCCC3(F)F)CCC2)cc1 1791298566 CDMPUOKLSRVJFV-FQEVSTJZSA-N 444.444 5.250 30 20 IKED Cc1ncc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)s1 1792123509 GIULAAMOKCXISF-MRXNPFEDSA-N 444.560 5.140 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)C1 1805456849 MDDCTLRFSCVUQK-OUKQBFOZSA-N 446.591 5.446 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccccc3o2)n[nH]1 1818627415 YXSHQUWONRUIFO-LJQANCHMSA-N 434.540 5.454 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3sccc3[nH]2)n[nH]1 1819188007 WVXMXMTXFGKNKE-LJQANCHMSA-N 437.569 5.027 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](F)c2ccccc2)[nH]n1 1819552867 HIUZJSDPVHARKO-TZIWHRDSSA-N 426.536 5.105 30 20 IKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 1824538134 NSMYWZJDMRLTFP-BTMIILLNSA-N 448.717 5.167 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)s2)CC1 1828823889 YGFAVRLAXGPHTG-RBUKOAKNSA-N 435.033 5.403 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccsc2)CC1 1828825415 VSIVHJGLMXQLDD-XZOQPEGZSA-N 428.642 5.069 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(Cl)c2)CC1 1828827914 ZKUDYIILKJPGPR-PKTZIBPZSA-N 429.004 5.342 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2cccc(Cl)c2)cc1 10831442 RJYDUFASADOUCU-UHFFFAOYSA-O 444.045 6.309 30 20 IKED COc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2C2CCCCC2)cc1OC 11379109 JUAPROXSSUHQCQ-UHFFFAOYSA-N 434.565 5.631 30 20 IKED CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)nnc1-c1ccccc1 12240299 BXPFPLWBYDAQML-UHFFFAOYSA-N 448.596 5.101 30 20 IKED O=C1N/C(=N/C2CCCC2)S/C1=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 14358995 OVLAHWVJHUASEP-UNOMPAQXSA-N 427.457 5.029 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1csc(-c2ccc(C(F)(F)F)cc2)n1 25453404 RUAQICNALGJKTN-CYBMUJFWSA-N 432.423 5.211 30 20 IKED COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cn(CCC#N)nc2-c2ccccc2)cc1 57945554 WOKPTQLOSBUYEY-SANMLTNESA-N 449.514 5.243 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C 62904269 OLCFETKSBCFRNH-UHFFFAOYSA-N 435.531 5.379 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccnc(OC2CCCC2)c1 106253733 XYBUBZUSXBHJNT-UHFFFAOYSA-N 429.545 5.356 30 20 IKED N#Cc1cccc(CNC(=O)Cn2c(-c3cccc(Cl)c3Cl)nc3ccccc32)c1 115783214 CLQOJPDMILMCAO-UHFFFAOYSA-N 435.314 5.198 30 20 IKED C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 303479838 SSBZCTUDUHOJAE-YSZBQJHXSA-N 429.564 5.210 30 20 IKED Cc1ccc(C)c(OC2CCN(C(=O)c3cccc(COc4ccc(C#N)cc4)c3)CC2)c1 303575081 CKNHXLJPTDNHKR-UHFFFAOYSA-N 440.543 5.438 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 303672375 KBAOUTGCXDHNFT-UHFFFAOYSA-N 444.734 5.399 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)s2)c(F)c1 410002293 CVROKDGCHAIHJM-UHFFFAOYSA-N 433.508 5.067 30 20 IKED O=C(c1ncccc1C(F)(F)F)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 410167653 CBEOZBSRCZNFLX-UHFFFAOYSA-N 436.327 5.100 30 20 IKED C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1Br 410375744 ZGJFFPALMBIBTR-NSHDSACASA-N 445.791 5.155 30 20 IKED N#Cc1ccc(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)c(Cl)c1 430351960 KDOIRLYHFINPFV-BWKNWUBXSA-N 443.934 5.330 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cccc2c1OCCCO2 431540771 DLWAGJNQXHBJOV-UHFFFAOYSA-N 429.476 5.142 30 20 IKED CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)N[C@H](CCCC#N)c2ccccc2)c1 433159754 FLDXFXIOBVMUAU-HXUWFJFHSA-N 426.948 5.377 30 20 IKED Cc1c(-c2ccccc2)sc(NC(=O)N2CCC(C#N)CC2)c1C(=O)N1CCCCC1 434124213 NGUBGUUWDAPQSE-UHFFFAOYSA-N 436.581 5.117 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(OCC2CCCC2)CC1 435125652 GABPASYFQBLRGT-UHFFFAOYSA-N 433.552 5.862 30 20 IKED Cc1cccc(Oc2ccc(NC(=O)C(=O)Nc3cccc(OCCCC#N)c3)cc2)c1 437059265 PPYKKRIWEMFMES-UHFFFAOYSA-N 429.476 5.047 30 20 IKED COc1ccc(-c2n[nH]cc2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 437470785 UYSPUXMKFFCPPH-UHFFFAOYSA-N 428.423 5.141 30 20 IKED N#Cc1cc(NC(=O)C(=O)Nc2cccc(OC3CCCC3)c2)ccc1Oc1ccccc1 437548883 SXYXFZBGEUKUMW-UHFFFAOYSA-N 441.487 5.249 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(CCC(F)(F)F)CC2CC2)cc1Cl 438627393 AMVDXDSYLKEUAM-IBGZPJMESA-N 435.877 6.192 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)N[C@H](CCC#N)c1ccccc1 439381971 FNQHYJLFNJNGJR-OAQYLSRUSA-N 441.510 5.854 30 20 IKED Cc1noc(C2CCC(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)n1 440185781 LCPRBWNRCXALRL-UHFFFAOYSA-N 431.496 5.198 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](CCC#N)c1ccccc1 440258858 SCPQHMKCLDCWIZ-FQEVSTJZSA-N 430.321 5.331 30 20 IKED Cc1ccnc(Oc2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)n1 440812020 RWECJOHYEZWWJY-UHFFFAOYSA-N 438.512 5.853 30 20 IKED O=C(Cc1noc(-c2cc(F)cc(C(F)(F)F)c2)n1)Nc1ccccc1C(F)(F)F 445419120 RGMPQJXKOGUMFA-UHFFFAOYSA-N 433.283 5.095 30 20 IKED Cc1cc2c(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)ncnc2s1 447423225 PDEBDVWNSLKRNC-UHFFFAOYSA-N 425.583 5.136 30 20 IKED Cc1ccccc1[C@@H]1CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@@H](C)CO1 460386594 LAVRWSNDSNLQBE-FNZWTVRRSA-N 426.516 5.048 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 460389104 RNPZQNKEBOTQIL-XMMPIXPASA-N 432.568 5.311 30 20 IKED CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 463875753 GIBWVKMRKIXDDQ-UHFFFAOYSA-N 431.467 5.727 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc1Cl 464473243 RDTAHXPECFSZRU-INIZCTEOSA-N 441.796 5.908 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(OCc3ccccc3)CC2)cc1 464858523 SYCRMDLJADIWIF-UHFFFAOYSA-N 426.516 5.480 30 20 IKED N#CCCCn1cc(C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c2ccccc21 469768761 LYVMXLCKGAUTCX-JOCHJYFZSA-N 441.453 5.178 30 20 IKED Cc1csc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)c1I 471222024 ZXJJYKPOPBESCN-UHFFFAOYSA-N 430.336 5.144 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 475578240 NNUMHSCKMAYVHS-UHFFFAOYSA-N 427.539 5.603 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC3(CCOCC3)c3ccccc32)cc1 481433972 JEHJMTAWJGGESQ-UHFFFAOYSA-N 428.463 5.198 30 20 IKED Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)[C@@H](C#N)c1cnc2ccccc2n1 483207478 XIRIKMUIWCEMKW-NRFANRHFSA-N 429.483 5.281 30 20 IKED COc1ccc(C#N)cc1NC(=O)N1CCC(c2nc(-c3ccccc3OC)cs2)CC1 483678284 DFPJNXQZVILKSB-UHFFFAOYSA-N 448.548 5.110 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCc4cc(Cl)ccc4C3)c2)c1 484170904 FEAWJXHBKYMQPQ-UHFFFAOYSA-N 430.895 5.054 30 20 IKED N#C[C@@H](NC(=O)c1cnc(-c2ccsc2)s1)c1ccc(OCc2ccccc2)cc1 487718482 WDUZKYAHVLBOFS-HXUWFJFHSA-N 431.542 5.445 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nnc1-c1ccccc1C 488925216 JGUYIRYBLPDMAV-ROUUACIJSA-N 446.576 5.544 30 20 IKED CC(C)c1nc(C2CCN(C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CC2)no1 489996769 MPVABWLBEPOACW-GOSISDBHSA-N 443.551 5.382 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)c(C(=O)N(CC)C(C)C)c1 490471702 POMBSXVWHFTNCA-UHFFFAOYSA-N 440.975 5.526 30 20 IKED CC(C)(C)C[C@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccc(Cl)cc1 493472002 HVUSXKDOHXFMRC-IBGZPJMESA-N 444.000 5.578 30 20 IKED CC(C)Cn1ncc2cc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)cnc21 498386301 PKAMWTDRRRNWIU-UHFFFAOYSA-N 427.533 5.038 30 20 IKED C[C@H]1CN(c2ccccc2NC(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@@H](C)O1 498715462 ARDOFRALXOIHHQ-BGYRXZFFSA-N 441.531 5.003 30 20 IKED N#C[C@H](NC(=O)c1ccc2c(c1)nc(O)n2C1CCCC1)c1c(Cl)cccc1Cl 499840126 RJCPAASBWOVUTN-KRWDZBQOSA-N 429.307 5.158 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cnn1CC(C)C 500468386 ZDHACUMWCNKMLO-HNNXBMFYSA-N 433.364 5.768 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@H](c3ccccc3)c3ccncc3)c2)cc1 503005299 MSSFFBXWJOQWJD-HHHXNRCGSA-N 448.526 5.638 30 20 IKED COc1cc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(C)c(OC)c1 503051791 XIEVROLOCACHKB-UHFFFAOYSA-N 435.455 5.246 30 20 IKED Cc1ccc(SCC(F)(F)F)c(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1 503466147 RVXJCSZYIHCAAS-UHFFFAOYSA-N 431.483 5.842 30 20 IKED Cc1cc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)ccc1NC(=O)c1ccco1 503474629 QSPHVDVNNBDSDF-UHFFFAOYSA-N 426.476 5.033 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)c1 505106291 WRBBUUJSCQJONT-UHFFFAOYSA-N 426.307 5.102 30 20 IKED Cc1nc(CSc2ccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cc2)cs1 505301288 GVFDVIHVFVNVFK-SFHVURJKSA-N 448.400 6.045 30 20 IKED N#C[C@@H](NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1)c1ccccc1Cl 505641706 WVDZOSUPLRWXEL-QGZVFWFLSA-N 436.682 5.208 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)n1 506002317 MTBGDYHZQGHNDV-QGZVFWFLSA-N 446.507 5.976 30 20 IKED COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 508254607 WOKQOARUUYUGTI-INIZCTEOSA-N 447.491 5.259 30 20 IKED C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(OC2CCCCC2)CC1 508831390 CDKXGFFFKJASEY-UHFFFAOYSA-N 431.584 5.306 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N[C@H](C[C@@H]3CCOC3)c3ccccc3)c2)c1 510053676 FKWMLDDGLOWGMY-BKMJKUGQSA-N 426.516 5.035 30 20 IKED COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Nc2ccc(Oc3ccccc3C#N)cc2)c1 513201225 MKGKOTLMPNHXQJ-ROUUACIJSA-N 445.519 5.046 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 515186405 YZICZVBVDAJDRZ-MOPGFXCFSA-N 440.490 5.533 30 20 IKED CCC[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 515914434 HHTXFHDXQQHGSI-LADGPHEKSA-N 445.950 5.592 30 20 IKED Cc1ccc2c(c1)CC[C@H]2NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 516730761 QNLFTBJAFJTJDK-LADGPHEKSA-N 443.934 5.046 30 20 IKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)N[C@H](C)c3ccc(C#N)cc3)c2)c1 518739488 FMGFCDOOEFAYNI-GOSISDBHSA-N 427.508 5.071 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)CCCNC(=O)c3ccc(Cl)cc3)c2)cc1 519125299 CZHMKPYIELTANU-UHFFFAOYSA-N 433.895 5.153 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)N[C@@H](c3ccccc3)c3ccc(F)cc3)CC2)c1 519177903 QNVBAVZIGATDED-VWLOTQADSA-N 429.495 5.040 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCCNc2ccccn2)cc1Cl 520589188 SJJPLCICYJORIR-NRFANRHFSA-N 433.943 5.404 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3F)cc2)nc1 521967786 BYIYXNBXNMEHFI-UHFFFAOYSA-N 437.474 5.727 30 20 IKED C=CCOc1ccccc1CNC(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 524151602 OIXFFZOTKWGGCC-UHFFFAOYSA-N 449.938 5.503 30 20 IKED Cc1nnc(SCC(=O)N(CCC#N)c2cccc(Cl)c2)n1[C@@H]1CCC[C@@H](C)C1 534607222 NMBBZEQSZVJJBP-DNVCBOLYSA-N 431.993 5.030 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 536518918 MTNLVYIXGPTYKR-UHFFFAOYSA-N 432.229 5.470 30 20 IKED COc1cc([C@H](C)N[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)ccc1OCc1ccccc1 537052360 CHNCXYDWQPZJLN-ZWKOTPCHSA-N 447.535 5.034 30 20 IKED COCCOc1c(Cl)cc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1Cl 538032098 BEICMEAOTCSDAC-YLJYHZDGSA-N 448.350 5.322 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(Br)cc2C(F)(F)F)cc1 539558879 SPZQNKDPNRBEFF-UHFFFAOYSA-N 442.235 5.028 30 20 IKED N#C[C@@H](C(=O)c1cc(Br)cc(Br)c1)c1nc2ccccc2s1 540244963 IBPZKBYCZGEXMV-LBPRGKRZSA-N 436.128 5.311 30 20 IKED C[C@H](NC(=O)N[C@@H](c1ccccc1)c1nccn1C)c1ccc(-c2cccc(C#N)c2)cc1 543909874 CJCTZOIREOIDID-DFBJGRDBSA-N 435.531 5.109 30 20 IKED CCOc1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc(Cl)c1O 547287777 RLJMHJGRRJFSNX-UHFFFAOYSA-N 436.895 5.342 30 20 IKED CCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)Cc1ccc(C#N)cc1 555461716 RVNJGMOSAITYOL-SANMLTNESA-N 429.589 5.006 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 557581230 DWBNBTPVWMGRLR-QVKFZJNVSA-N 425.554 6.050 30 20 IKED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1 560701965 OMJFOMNWKYSGQB-FZKQIMNGSA-N 439.408 5.492 30 20 IKED CCSc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 561421415 POJUFWAKHBDQEO-JKSUJKDBSA-N 427.595 5.009 30 20 IKED Cn1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C(F)F 589830556 MPDRDLVJUCKGHE-JTQLQIEISA-N 427.263 5.278 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)cc1Cl 603759243 ZMXUKGAWRZMCHY-NRFANRHFSA-N 430.870 5.573 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CN[C@H](c1ccc(F)cc1)c1ccccc1Cl 604008051 HLXNCHRWOGTKIA-JOCHJYFZSA-N 428.294 5.322 30 20 IKED Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)cn2)n1 604027415 YIAURTDCXHRBQT-UHFFFAOYSA-N 443.894 5.454 30 20 IKED C[C@H](NC(=O)c1ccccc1C(=O)c1ccc(Br)cc1)c1cccc(C#N)c1 608482067 XWSQKZINHDTHAK-HNNXBMFYSA-N 433.305 5.043 30 20 IKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1 609064051 RMBGWOKLHROUAR-KRWDZBQOSA-N 445.544 5.215 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)Nc3cc(C#N)ccc3OC(F)F)s2)cc1 609066386 IFPSRGSTNGSYPT-UHFFFAOYSA-N 429.448 5.243 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H]3c3cccs3)cc2Cl)c1 609081065 ZCJBBZKACFTXTR-FQEVSTJZSA-N 437.952 6.221 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@H](c3ccccc3)c3ccco3)s2)cc1 609206687 ZCCBLSWIBHFAIA-LJQANCHMSA-N 447.545 5.206 30 20 IKED Cc1ccc(Cl)cc1N1CCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 609399459 ZNAAAEZUSOHBOM-INIZCTEOSA-N 428.989 5.254 30 20 IKED COc1ccc(C2(NC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CCOCC2)cc1 609434454 LOHJAPYRORVOIM-UHFFFAOYSA-N 443.503 5.187 30 20 IKED C[C@H](Oc1ccccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccccc1 609652347 PXIBOZZAQIRJBF-IBGZPJMESA-N 438.483 6.123 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1 610630679 CTAOFSPLEOHQKR-HZPDHXFCSA-N 443.347 5.555 30 20 IKED CC(=O)N(c1nc(CSc2ccc(Cl)cc2C#N)cs1)c1cccc(C)c1C 610654945 JZNGGKVSMJLEEO-UHFFFAOYSA-N 427.982 6.262 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)cc1Cl 611187236 DQVONCJWCBQSON-UHFFFAOYSA-N 428.879 5.120 30 20 IKED CC(C)(C#N)c1ccc(CN[C@H](Cc2ccccn2)c2ccc(Br)cc2)cc1 616121255 VFAZLNCSTLQUDE-HSZRJFAPSA-N 434.381 5.719 30 20 IKED CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 618847727 GDXCEHSIDVADGG-XMMPIXPASA-N 445.542 5.129 30 20 IKED CCc1c(C(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)cnn1C 679995163 IJDJZLCSLHPULO-ZDUSSCGKSA-N 447.301 5.054 30 20 IKED N#Cc1cnc2ccccc2c1OCCOC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 726366343 XRUZIYKOXGUXBS-UHFFFAOYSA-N 449.919 5.048 30 20 IKED CNC(=O)c1ccc(/C=C\C(=O)c2sc(-c3ccc(Br)cc3)nc2C)cc1 727779972 DBOYNJNGONIULW-XGICHPGQSA-N 441.350 5.137 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(-c2ccc(F)cc2)cs1 730949600 XYQGGHRGRSKYCT-AWEZNQCLSA-N 443.594 6.074 30 20 IKED COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3cc(OC)c(OC)cc3C)c2)cc1 731318857 LOGWFVHIVGTLSS-JYRVWZFOSA-N 431.488 5.169 30 20 IKED C=CCn1c(SCC(=O)O[C@@H](C)c2cccnc2)nnc1-c1ccc(Cl)cc1Cl 733375137 XWANCNLTXXETMT-ZDUSSCGKSA-N 449.363 5.229 30 20 IKED CC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)[C@@H](C#N)c2ccc3ccccc3n2)CC1 733680365 NICLSBMPSMBZTO-FQEVSTJZSA-N 444.535 5.098 30 20 IKED C[C@H](Oc1ccc(F)cc1Cl)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 733682498 MEPRJIDGLBJULE-BLLLJJGKSA-N 425.872 5.118 30 20 IKED O=S(=O)(O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1csc(-c2ccccc2)n1 734153646 MGVRTSVWLBSSGP-HNNXBMFYSA-N 447.887 5.342 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)Cc3cccc(OCc4cccc(Cl)c4)c3)[nH]c12 735791959 DWSBYYSFYMJEJL-NRFANRHFSA-N 429.907 5.523 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)Cc3cccc(OCc4cccc(Cl)c4)c3)[nH]c12 735791960 DWSBYYSFYMJEJL-OAQYLSRUSA-N 429.907 5.523 30 20 IKED N#C[C@@H](C(=O)CCN1C(=O)CCc2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1 739157891 YUXJOVAJDJZNEV-SFHVURJKSA-N 435.936 5.009 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1 741725792 HLPQETKZHOSQJC-UHFFFAOYSA-N 427.435 5.115 30 20 IKED C=CCOc1ccc(/C=C\C(=O)c2ccc(S(=O)(=O)CC(F)(F)F)cc2)cc1Cl 741840950 CFUKDSVJNNSVGE-OQFOIZHKSA-N 444.858 5.137 30 20 IKED COc1cc(/C=C\C(=O)c2ccc3c(c2)COC3)ccc1OCc1ccc([N+](=O)[O-])cc1 742436861 ODUWZOQKVLEGDY-WMZJFQQLSA-N 431.444 5.109 30 20 IKED O=C1/C(=C\c2ccc(Oc3cnccn3)cc2)CSc2ccc(Br)cc21 743056694 JRXYTGPGXFMWKN-ZROIWOOFSA-N 425.307 5.403 30 20 IKED Cc1ccc(CN2C(=O)CC[C@H]2C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 744035402 RJLZIUKKKMSZOP-FPOVZHCZSA-N 449.963 5.139 30 20 IKED C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1C(F)(F)F 744061166 HUDUVNXHZDRVHI-DYVFJYSZSA-N 425.435 5.681 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3sc4cccc(Cl)c4c3Cl)o2)c1 744667569 BROVKCYQWCZBLZ-UHFFFAOYSA-N 430.272 5.487 30 20 IKED C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(S[C@H](C)CC)cc2C(F)(F)F)c1 749003629 PHRKGMUUTTZYNX-CQSZACIVSA-N 449.498 5.338 30 20 IKED C=CCC[C@H](NC(=O)c1cc(S(=O)(=O)CC)ccc1F)c1ccc(C(F)(F)F)cc1 749943171 HGOODZMRJRSZMU-IBGZPJMESA-N 443.462 5.075 30 20 IKED C=CCC[C@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1ccc(C(F)(F)F)cc1 749943573 JVVDFBKMOCYYGC-SFHVURJKSA-N 445.890 5.200 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)nc(O)n3C2CCCC2)cc1 751328576 BJSMIVZFXYVTED-QHCPKHFHSA-N 436.515 5.765 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC[C@@H](O)c1ccc(C#N)cc1 754951612 AJORQFSZWXPGGV-ORAYPTAESA-N 442.382 5.137 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1cccc(C(=O)c2ccccc2)c1 762063184 SLVOGBOPWIULMB-FOIQADDNSA-N 428.488 5.646 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)cc1Br 768780836 CUJICUFHBJIXTN-CYBMUJFWSA-N 440.124 5.334 30 20 IKED COc1ccc(CN2CCCCC[C@H]2C[C@H](O)c2cccs2)cc1OCCCC#N 770292728 KYFCENNTKZABHT-SFTDATJTSA-N 428.598 5.308 30 20 IKED N#Cc1ccc(/C=C2\CC3(CCOCC3)C/C(=C\c3ccc(C#N)cc3F)C2=O)c(F)c1 772801068 IRTGZOGRVGJQBZ-XHQRYOPUSA-N 430.454 5.335 30 20 IKED N#CCCCn1cc(C(=O)Oc2ccc(-c3noc(-c4cccnc4)n3)cc2)c2ccccc21 774079750 DTOGNZLHAIGRFE-UHFFFAOYSA-N 449.470 5.276 30 20 IKED CN(C(=O)Nc1ccc(F)cc1OCC#N)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 776476203 KPJDRDXGSJYCOM-PKOBYXMFSA-N 435.421 5.547 30 20 IKED C=CC[C@@H](C(=O)OCc1csc(N(C(C)=O)c2ccc(CC)cc2)n1)c1ccccc1 778416679 AUOIKKZLCQNAJQ-HSZRJFAPSA-N 434.561 5.793 30 20 IKED C=CC[C@H](C(=O)OCc1csc(N(C(C)=O)c2ccc(CC)cc2)n1)c1ccccc1 778416680 AUOIKKZLCQNAJQ-QHCPKHFHSA-N 434.561 5.793 30 20 IKED COc1ccc([C@@H](NCc2ccc(OCC#N)cc2)c2ccc(C(F)(F)F)cc2)cc1 778616617 GFBLVXYCBFEERH-QHCPKHFHSA-N 426.438 5.496 30 20 IKED COc1cc2c(cc1NC(=O)[C@@H](C#N)c1nc3cc(Cl)ccc3s1)oc1ccccc12 779509758 HLPZVVJXFQIYMZ-OAHLLOKOSA-N 447.903 6.104 30 20 IKED Cc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)s2)o1 781745410 HSONRHWXSWHILS-HNNXBMFYSA-N 440.546 5.506 30 20 IKED N#Cc1cccc(COc2ccc(NC3CCN(Cc4ccccn4)CC3)cc2Cl)c1 783586410 BBVLFBXGIIMHMN-UHFFFAOYSA-N 432.955 5.262 30 20 IKED CCc1cccc(CC)c1-n1c(-c2cccnc2)nn(CN2CCC[C@@](C)(C#N)C2)c1=S 784013302 MTAYNSIOXHDCON-VWLOTQADSA-N 446.624 5.173 30 20 IKED C=CCn1c(S)nc2cc(C(=O)Nc3ccccc3-c3c(F)cccc3F)ccc2c1=O 797753726 UMZOUCIPHRUYHE-UHFFFAOYSA-N 449.482 5.069 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccnn2-c2ccccc2)cs1 798371573 DXXRONUMXLLCFI-FMIVXFBMSA-N 448.935 5.563 30 20 IKED Cc1cccc(-c2nnc([C@H](C)OC(=O)c3ccccc3N/C=C\C(=O)C(F)(F)F)o2)c1 809685052 XTDFOXZFXQAGFX-BMSUMIBZSA-N 445.397 5.020 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/Oc3c(C)cc(Cl)cc3C2=O)cs1 811697433 KRUDOOQZTTWIQO-GIJQJNRQSA-N 445.327 6.059 30 20 IKED CN(CCC#N)c1ccc(/C=C2/SC(=S)N(c3ccc(OC(F)F)cc3)C2=O)cc1 814280165 BCCYQQVYCOYUPQ-QGOAFFKASA-N 445.516 5.044 30 20 IKED C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 814577190 MEDMUBANBUSYRV-UQBPGWFLSA-N 428.511 5.224 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)cc1 837838783 PQOAKCLLXUQJIW-XMSQKQJNSA-N 444.560 5.112 30 20 IKED CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1sc2nc(C)nc(C)c2c1C 863967624 PQSZHQRYLQSJLJ-UHFFFAOYSA-N 430.459 5.415 30 20 IKED COc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2ccccc2Cl)s1 874061626 QCZWOWPGCVWMLV-UHFFFAOYSA-N 426.954 5.507 30 20 IKED Cc1ccc(-n2nc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c3c2CCC3)cc1 915085023 CZAFNSLMSZPMLD-VWLOTQADSA-N 432.527 5.577 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 915085867 FZBDCJKNXRQCGC-HSZRJFAPSA-N 440.503 5.105 30 20 IKED CCOc1cc(/C=C\C(=O)c2sccc2Br)cc(Br)c1O 915112977 KCERIUWVVFPNQS-ARJAWSKDSA-N 432.133 5.274 30 20 IKED N#Cc1cccnc1Oc1ccccc1NC(=S)Nc1ccc(SC(F)F)cc1 916000942 PLKATVNJMMKUPH-UHFFFAOYSA-N 428.489 5.869 30 20 IKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(CCC(C)C)C1=O 916207422 XOHPMGWHEBJOPZ-NRFANRHFSA-N 439.581 5.010 30 20 IKED Cc1sc2ncnc(NN=Cc3cn(-c4ccccc4)nc3-c3cccnc3)c2c1C 916309286 HVBLPFVKPHFLMA-UHFFFAOYSA-N 425.521 5.002 30 20 IKED Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1ccc(Br)cc1 916333159 FLPKQOKPXWTQAW-UHFFFAOYSA-N 428.142 5.185 30 20 IKED C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl 916913351 WPQYXEYRVXWEEQ-JQWIXIFHSA-N 427.740 5.475 30 20 IKED COc1cccc(NC(=O)/C(=C\c2cnc(-c3ccccc3)nc2)C(=O)c2ccccc2)c1 917142585 IVKUFTOAGGKOAZ-IWIPYMOSSA-N 435.483 5.057 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccc(OC)c(Cl)c3)n2)cc1 920143940 VCDLSOUWMSEQFD-QGZVFWFLSA-N 426.925 5.290 30 20 IKED CCCN(Cc1nc(O)c2sccc2n1)C(=O)Nc1ccccc1S[C@@H](C)CC#N 1116014305 IEDGYUGBEHZDJB-AWEZNQCLSA-N 441.582 5.235 30 20 IKED CSc1nc(O)c(C(=O)N(Cc2cccc3ccccc23)c2ccccc2)cc1C#N 1527173262 IBGOVKNXPNZJTG-UHFFFAOYSA-N 425.513 5.381 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CSc3ccncc3)CCC2)cc1 1789452920 GCDGKQMIBJQUJC-JOCHJYFZSA-N 435.593 5.076 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)Cc3csc(C)n3)CCC2)cc1 1789624281 UFQNUGDGCMOLAE-UHFFFAOYSA-N 425.598 5.121 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cncc4cnccc34)cc2)CCC1 1790011220 VKDYAJCVQLIUGC-QFIPXVFZSA-N 440.547 5.146 30 20 IKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccccc4)c(F)c3)cc2)CCC1 1790094537 BXSSFQQMOOGOQD-UHFFFAOYSA-N 441.506 5.544 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)C4(c5ccc(F)c(F)c5)CC4)cc3)CCC2)C1 1790364920 KHRYJRUMYQKULD-UHFFFAOYSA-N 436.502 5.097 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cccc(-c5cnco5)c4)cc3)CCC2)C1 1790707493 JJYZXYCZCZMCEJ-UHFFFAOYSA-N 427.504 5.056 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cnc5ccc(Cl)cc5c4)cc3)CCC2)C1 1790868096 WRZCXXDRICNSJK-UHFFFAOYSA-N 445.950 5.602 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCSCc1ccc(C)cc1)C2 1792574914 QAFFVCJLVNYFOP-NUNAXRQHSA-N 442.669 5.249 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C(C)=C/c2ccc(C)o2)n[nH]1 1819490915 DPMAFNGWWGHJEN-ZDJZVTAXSA-N 438.572 5.399 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc(Cl)s2)CC1 1823753899 NTCSMPBEPMPFBP-KRWDZBQOSA-N 438.037 5.022 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCCCC2(F)F)CC1 1824648360 WFIYHRQDZJFYQP-YPAWHYETSA-N 436.587 5.200 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)c2cccs2)CC1 1829071730 YDNISSDUTUMQGM-PZJWPPBQSA-N 430.658 5.464 30 20 IKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/Sc2ccc(C)cc2)CC1 1831849766 FZXMIYQLFLJYPN-YEZCMDQSSA-N 438.637 5.024 30 20 IKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/Sc2ccc(C)cc2)CC1 1831849767 FZXMIYQLFLJYPN-ZOSFRFIDSA-N 438.637 5.024 30 20 IKED CCCCc1ccc([C@H](NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c2cccs2)cc1 10217972 BPVGCJSHAAGNIG-VWLOTQADSA-N 447.604 5.106 30 20 IKED N#CCC[C@H](C#N)Cn1c([C@@H](Cc2ccccc2)NC(=O)c2ccccc2)nc2ccccc21 14300956 FNTRMRLVVHJDGT-RCZVLFRGSA-N 447.542 5.194 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2ccccc2)cc1 22695224 ZQWHGSURKFMOQC-UHFFFAOYSA-O 446.379 5.731 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(Nc3cccc(C)c3)s2)cc1 23356629 OPEVMPKCDKPMRH-KRWDZBQOSA-N 437.594 5.326 30 20 IKED C=CCN(C(=O)CSc1nccn1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 26900491 JZAADMVCMVPDKD-UHFFFAOYSA-N 439.393 5.162 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)CSCc1cc(-c2cccs2)on1 61132522 JVDGUBJYAXKAIF-UHFFFAOYSA-N 425.000 5.566 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1 63417516 ZCZQPURIZIDGJF-XXBNENTESA-N 438.543 5.074 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-n4nc(C)cc4C)cc3)n2)cc1 108978878 PSAPRVKPUIYUJH-OAQYLSRUSA-N 428.517 5.111 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 303309822 QPYMOYFCXAQHRG-QGZVFWFLSA-N 430.533 5.835 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3C[C@@H]3c3cccc(C(F)(F)F)c3)s2)cc1 303431708 FYGQCOMAMXUJBH-RTBURBONSA-N 427.451 5.367 30 20 IKED FC(F)C(F)(F)COCc1cccc(N[C@H]2CCCc3ncc(C(F)(F)F)cc32)c1 427529921 GQGCFKVXSBMXOW-KRWDZBQOSA-N 436.371 6.007 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)Cc3c[nH]c4cccc(Cl)c34)c2)c1 431355376 YXOWIDLDEMZAPA-UHFFFAOYSA-N 428.879 5.126 30 20 IKED CCN1CC[C@H](NC(=O)N[C@H](CCCC#N)c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 431470181 KOELFWZXPVLWRG-VJBWXMMDSA-N 442.966 5.349 30 20 IKED CN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nc2ccc(Cl)cc2s1 436439880 PXTXVIAMQRJKLY-UHFFFAOYSA-N 433.920 5.677 30 20 IKED N#CCCCOc1cccc(NC(=O)C(=O)Nc2cccc(CSC3CCCC3)c2)c1 437044590 QXHSFGSYTJXEQW-UHFFFAOYSA-N 437.565 5.122 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)N[C@H](CCC#N)c1ccccc1 439399882 ZCGKYERYZQDXBT-JOCHJYFZSA-N 441.510 5.854 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1Cl 442371754 BTLGCAKRCQUGAD-WGQQHEPDSA-N 435.955 5.019 30 20 IKED C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[C@@H]1c1ccc(Br)s1 460583966 LXPNTJXULKSBMK-OAHLLOKOSA-N 444.402 5.390 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC[C@](C)(OC)CC1 460959396 NNXYYYVSYMBKKC-MHZLTWQESA-N 446.595 5.496 30 20 IKED COCc1nc(CSc2nc(-c3ccc(C)o3)cc(C(F)(F)F)c2C#N)cs1 463254786 KOPAOSWRRJATSW-UHFFFAOYSA-N 425.457 5.436 30 20 IKED COc1cc(Cl)c(Br)cc1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 464479378 VZPYPLNJCYELAV-JTQLQIEISA-N 433.611 5.015 30 20 IKED CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1c(C)nn(C)c1C 466262869 SEGDQLRBVPNBEY-HXUWFJFHSA-N 437.931 5.627 30 20 IKED COCc1ccc([C@H]2CCCN2C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)o1 466850186 YKNIUVIJFAHZLS-HXUWFJFHSA-N 436.895 5.721 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1noc(-c2ccccc2)n1 473794147 AXUXNKLBIPMCLA-QGZVFWFLSA-N 439.475 5.592 30 20 IKED Cc1cc(-c2noc([C@@H](C)NC(=O)Nc3ccccc3SC[C@@H](C)C#N)n2)ccc1F 473816132 GVMSQEYKGQJTQR-DZGCQCFKSA-N 439.516 5.319 30 20 IKED Cc1ccc(-c2noc([C@H](C)NC(=O)Nc3ccccc3S[C@H](C)CC#N)n2)cc1F 473824222 UWLFSUUUXUCNSF-CABCVRRESA-N 439.516 5.461 30 20 IKED Cc1ccc(-c2noc([C@H](C)NC(=O)Nc3ccccc3SC[C@@H](C)C#N)n2)cc1F 473824932 ZQJIAAHFJKYKFJ-ZFWWWQNUSA-N 439.516 5.319 30 20 IKED COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)C[C@@H](CC#N)c1ccccc1)CC2 474430053 XVICPGITCYSGKR-SKCUWOTOSA-N 440.543 5.265 30 20 IKED C=C(C)[C@@H](NC(=O)c1ccc(OCc2cscn2)c(OC)c1)c1ccc(F)c(F)c1 478910037 LHRPRFWZIXEABT-OAQYLSRUSA-N 430.476 5.056 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)CC2)cc1 479561612 YKCUFQAJCVIVCV-UHFFFAOYSA-N 440.568 5.753 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 480833048 XZXYWOYXBPPPNK-UHFFFAOYSA-N 431.989 5.177 30 20 IKED CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1 482783327 UPPSLZDBPDJKKK-UHFFFAOYSA-N 447.457 5.014 30 20 IKED CC1(C)CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC[C@H]1C(F)(F)F 483710835 NMWLUPMWTYUITP-HXUWFJFHSA-N 449.448 5.719 30 20 IKED N#CCCN(C(=O)c1cccnc1OCc1ccccc1F)C12CC3CC(CC(C3)C1)C2 485699730 ZHRRJWHTBJHQCD-UHFFFAOYSA-N 433.527 5.124 30 20 IKED C=CCC[C@H](C(=O)Nc1ccc(OC)c(NC(=O)c2cccc(F)c2)c1)c1ccccc1 488620370 BHMRUOYUCWTTIG-QFIPXVFZSA-N 432.495 5.775 30 20 IKED N#C[C@H](C(=O)c1cc2ccccc2n1CC(F)(F)F)c1nc(-c2ccccc2)cs1 489860710 OLNFHGIFIMEYLZ-MRXNPFEDSA-N 425.435 5.817 30 20 IKED C=CCN(CCc1ccco1)Cc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1 491422602 IPZIKIYRAIHMPO-UHFFFAOYSA-N 449.498 5.670 30 20 IKED CC(C)CN(C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccc(C#N)cc1 499326379 ZRIQYYIREURXSL-UHFFFAOYSA-N 429.467 6.003 30 20 IKED COc1cc(C(=O)N[C@@](C)(C#N)C(C)(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 499486895 QYBUJANCANKWMN-NRFANRHFSA-N 431.876 5.107 30 20 IKED COc1ccc([C@H](NC(=O)NCC(C)(C)CCC#N)c2ccc(C(F)(F)F)cc2)cc1 501376723 PMXBKEXYEOOOCM-HXUWFJFHSA-N 433.474 5.433 30 20 IKED CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cccc(Oc2ccnc3ccccc23)c1 503066256 NGINQZAYLFSKRE-RUZDIDTESA-N 431.492 5.227 30 20 IKED COc1cc(C(=O)N(CCC#N)CCC(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 505179489 ISXJIAHVWYXCIZ-UHFFFAOYSA-N 445.903 5.451 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccnc(OCc2ccccc2)c1 506250388 ZHKVKCPRQZMAQX-UHFFFAOYSA-N 436.471 5.280 30 20 IKED C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)N3CCN(c4ccccc4C#N)CC3)c2)C1 508274588 MZWAHLLLZMYPJW-HYBUGGRVSA-N 432.568 5.008 30 20 IKED CCN(C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)[C@H](C)c1ccc(C#N)cc1 508943622 ZBOCLKJFMXPWSZ-OAHLLOKOSA-N 443.494 5.853 30 20 IKED CCN(C[C@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc3c(c1)OCO3)CC2 509724834 PUWKORYBOOVYNC-MIQLPHMESA-N 439.515 5.072 30 20 IKED N#CCC[C@H](NC(=O)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1)c1ccccc1 510317354 FLOYDAVIUINESA-OFNKIYASSA-N 449.599 5.517 30 20 IKED N#C[C@H](C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccncc2)cs1 512937164 JEQRUEUZLMFUFL-CQSZACIVSA-N 441.356 5.733 30 20 IKED CCOc1ccc(C2(CNC(=O)c3ccccc3-c3ccccc3C#N)CCOCC2)cc1 513371674 MMFCBRVIDZCESY-UHFFFAOYSA-N 440.543 5.102 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)c1 513463224 KHHNYGDMYIWLFQ-UHFFFAOYSA-N 445.482 5.099 30 20 IKED COCCN(C(=O)c1cccc(COc2ccccc2C#N)c1)c1nc2ccccc2s1 513463951 SAXKQCCIIHSFNV-UHFFFAOYSA-N 443.528 5.040 30 20 IKED CC(C)Cn1cc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c2ccccc21 513677348 VHBIJCXUHRSSFC-KRWDZBQOSA-N 444.560 5.376 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 514165793 WLAVNNAVWZHNPM-FQEVSTJZSA-N 433.556 5.500 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 514514506 XAXVIGNLLJSKFA-UHFFFAOYSA-N 438.575 5.427 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccc2oc3ccccc3c2c1 515157476 RWVBPLRSDLWJHI-UHFFFAOYSA-N 449.466 5.971 30 20 IKED COc1cc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)ccc1OC1CCCC1 515427655 AWRKFWIIKDDEOT-UHFFFAOYSA-N 434.414 5.082 30 20 IKED C[C@@H](Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 515838059 PVNGNLSWODTMSM-GFCCVEGCSA-N 443.290 5.149 30 20 IKED COc1cccc(/C=C(\CC(=O)N(C)c2cccc(C#N)c2)c2nc3ccccc3s2)c1 516820997 BLLISURMSVMSTN-DEDYPNTBSA-N 439.540 5.770 30 20 IKED COc1cc(OC)c(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1Cl 518555833 ROKNPCUNKVUMAM-UHFFFAOYSA-N 426.831 5.413 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)COc3ccc(Oc4ccccn4)cc3)cc2)cc1 519033389 XZNQOBTVHQYDBA-UHFFFAOYSA-N 437.455 5.555 30 20 IKED CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1=O 519515304 BTEABKJUUWVAOZ-GBESFXJTSA-N 435.593 5.586 30 20 IKED C=CCN(CC(F)(F)F)C(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C 520167666 MVHHUIPCMDRKGV-UHFFFAOYSA-N 436.503 5.548 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2ccccc2CN2CCCC2)cc1 520729170 ZLXREQFGZIXHNW-UHFFFAOYSA-N 429.495 5.015 30 20 IKED N#Cc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccc3ccccc3c2)cc1Cl 521894726 NBMRCUVSUOEBAG-XMMPIXPASA-N 439.902 5.209 30 20 IKED N#CCCn1ccc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2cccs2)CC3)n1 524000273 BVCCBXSXEDCIMP-FOCLMDBBSA-N 425.517 5.146 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1ccnc2ccccc12 524239769 LTSXHSKFHNHUOZ-UHFFFAOYSA-N 429.467 5.831 30 20 IKED CCc1ccc(C(=O)CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 524249902 MPXRTGLTJXDYDO-UHFFFAOYSA-N 426.516 5.610 30 20 IKED CN(Cc1ccc(Br)s1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 524491753 SRYHRQFLGFSFLF-UHFFFAOYSA-N 441.350 5.233 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N(C[C@H]2CCCO2)c2ccncc2)c1 525149691 GWZPVXXDOYTERB-JOCHJYFZSA-N 433.895 5.225 30 20 IKED CN(Cc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 530343730 WSYOGANFTKIBJG-UHFFFAOYSA-N 432.568 5.231 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3ncc(-c4ccc(Cl)cc4)o3)o2)cc1 531760402 FZJVEPKAAHYNEC-UHFFFAOYSA-N 425.897 5.902 30 20 IKED CC(=O)c1ccc2c(c1)CCN(C(=O)Nc1cccc(Oc3ccc(C#N)cc3)c1)CC2 533767719 PPFCCLVORAKTLR-UHFFFAOYSA-N 425.488 5.186 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1 536168201 YLYUMLHKORGRKO-UHFFFAOYSA-N 448.482 5.559 30 20 IKED CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccccc2Oc2ccccc2C#N)c1 538657008 OYELVCLTUJUBJD-UHFFFAOYSA-N 447.922 5.737 30 20 IKED C=C(C)COc1cccc(NC(=O)c2c(Br)cccc2Br)c1 542160487 PXQIILQUPPNCPY-UHFFFAOYSA-N 425.120 5.419 30 20 IKED COc1cccc([C@@H](CNc2cc(C(C)=O)ccc2C#N)c2c[nH]c3ccccc23)c1OC 542506498 MBSBMPQNQOUSOS-HSZRJFAPSA-N 439.515 5.503 30 20 IKED Cc1noc(C)c1CC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 543086267 AXPXNDOOOSHLQF-CQSZACIVSA-N 448.285 5.291 30 20 IKED C[C@@H](NCc1csc(-c2ccc(C(N)=O)cc2)n1)c1ccc(-c2cccc(C#N)c2)cc1 543870717 JXKOKUPESNKRHD-QGZVFWFLSA-N 438.556 5.298 30 20 IKED CC(C)C(=O)c1ccc([C@H](C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 549200094 LWOCLKBJVLVLJL-FQEVSTJZSA-N 440.543 5.913 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 549274968 TVQQDODVJBXPGG-MSYCTHLASA-N 436.531 5.100 30 20 IKED COc1cccc(/C=C(\CC(=O)Nc2ccccc2CC#N)c2nc3ccccc3s2)c1 554750567 NZQBPBDTVDNWPQ-HMMYKYKNSA-N 439.540 5.940 30 20 IKED C[C@H](NC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1c(F)cncc1F 558180870 CYLPITKCAAONTA-XPTSAGLGSA-N 441.322 5.433 30 20 IKED COc1c(C)cnc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1C 560164061 IWLZACJDOJXGHU-UHFFFAOYSA-N 444.535 5.130 30 20 IKED COCc1nc(Cc2noc(-c3cccc(Oc4cccc(Cl)c4C#N)c3)n2)cs1 561935295 JXCGTSMOGLVBTK-UHFFFAOYSA-N 438.896 5.248 30 20 IKED CC(C)(C)n1ncc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1-c1ccccc1 564619361 LMYPADOLCLPYAH-UHFFFAOYSA-N 437.503 5.616 30 20 IKED CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 570640624 SYAFAGQLCUVBNT-VWLOTQADSA-N 428.536 5.732 30 20 IKED N#C[C@H](C(=O)c1c[nH]nc1-c1ccc2c(c1)OCO2)c1nc(-c2ccc(Cl)cc2)cs1 570701447 XHFGPXNFKXWIPI-OAHLLOKOSA-N 448.891 5.072 30 20 IKED N#C[C@@H](NC(=O)c1nc2ccccc2cc1Br)c1cccc(Cl)c1Cl 572400502 LLWSLIVQMSLKFZ-OAHLLOKOSA-N 435.108 5.299 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](c1ncccc1C)C(C)C 573160746 WBWDXDHWDLQBJS-IBGZPJMESA-N 434.353 5.387 30 20 IKED C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CCC[C@H]1c1ccc(COC)o1 583196980 XORLOPNKZWOEOZ-QHCPKHFHSA-N 428.536 5.289 30 20 IKED Cc1noc(C)c1[C@H](C)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 588347870 QRDQUKZSDCODOK-JTQLQIEISA-N 449.458 5.112 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCc4[nH]c5ccc(Cl)cc5c4C3)cc2)ccn1 589366834 FTHOECDIIWVPDT-UHFFFAOYSA-N 443.894 5.470 30 20 IKED CC(=O)c1cccc(OCCCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 590459853 FIPZPPQRJWLEAI-UHFFFAOYSA-N 446.478 5.277 30 20 IKED COC(=O)c1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 603838873 QEKZTYMJERSHBM-OAHLLOKOSA-N 431.300 5.394 30 20 IKED Cc1nc(-c2cccs2)sc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604004135 YRWRAJVLCNGRKI-UHFFFAOYSA-N 445.569 6.077 30 20 IKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 604130283 WCZKGTMVFIIWTD-MHZLTWQESA-N 440.591 5.006 30 20 IKED COCCN(Cc1ccc(C)cc1C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604500063 WNYGRPRZQLCXIS-UHFFFAOYSA-N 430.508 5.043 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ncccc1OCCCC#N 608869018 IUDPBYGOHNXDLY-UHFFFAOYSA-N 446.454 5.467 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 609377682 ZBDOAXBYFQUKPI-GOSISDBHSA-N 439.544 5.438 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC[C@H]3CCCN(Cc4cccs4)C3)cc2)cc1 609520309 HTQHKFFXGNUTFU-OAQYLSRUSA-N 445.588 5.248 30 20 IKED CCc1ccccc1NC(=O)CN(C)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 609723349 ILZXZWBNVYBPEG-UHFFFAOYSA-N 447.922 5.277 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CSC2CCCCC2)c1 609745162 SXYIZNMFKPBXRW-UHFFFAOYSA-N 437.609 5.805 30 20 IKED COc1cccc(OC)c1Oc1ccc(CNc2ccc(C#N)cc2C(F)(F)F)cn1 609961463 OCHPMRPFTVBVSK-UHFFFAOYSA-N 429.398 5.394 30 20 IKED N#C[C@H](C(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc2ccccc2n1 613290336 CNXQKRIMDVMCMQ-QHCPKHFHSA-N 428.495 5.637 30 20 IKED Cc1onc(-c2ccccc2Cl)c1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 613407308 QBXXRDVPNVPGGO-ZDUSSCGKSA-N 428.300 6.057 30 20 IKED Cc1ccc2c(Cl)c(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)sc2c1 615022677 GGJDHMBPEFBKMW-UHFFFAOYSA-N 425.941 5.250 30 20 IKED O=C(Nc1cccc(OCC(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618541922 MNUSGHOQIGFZAW-UWVGGRQHSA-N 438.290 5.222 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1Cl 678728608 KXNKWBDKIIIYTP-IUCAKERBSA-N 441.721 5.998 30 20 IKED O=C(c1csc(Cc2cccc(F)c2)n1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 679468433 UIIYJKNUTKUKRW-RYUDHWBXSA-N 440.384 5.076 30 20 IKED Cc1nc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(-c2ccccc2)o1 680617055 DHIVLMUZCICSFB-AWEZNQCLSA-N 427.407 5.769 30 20 IKED Cn1nc(C(F)F)c2cc(C(=O)Nc3ccc(C(F)(F)C(F)(F)F)cc3)sc21 684210385 VYLRBVQJAWQKCZ-UHFFFAOYSA-N 425.329 5.479 30 20 IKED C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 685550712 IJLSRELETHSSAJ-QFIPXVFZSA-N 441.535 5.038 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)cc1 726319352 GYYOIBXMPAINND-QGZVFWFLSA-N 443.450 5.352 30 20 IKED N#C[C@H](C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1nc(-c2ccccc2)cs1 726322702 WJDZHKKZROGTTD-LZBANZJXSA-N 449.620 5.632 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1nnc(-c2ccccc2)o1 728062273 MBYMJSNCPDTBBJ-INIZCTEOSA-N 430.895 6.014 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1cc(F)ccc1F 728062647 RQIOCWQUKWGBLV-AWEZNQCLSA-N 441.865 5.508 30 20 IKED Cc1ccc(-n2c(SCc3ccc(OCC#N)cc3)nnc2-c2ccncc2)cc1C 729242116 OPHJYBXLTMSEMB-UHFFFAOYSA-N 427.533 5.141 30 20 IKED Cc1cc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(C)n1[C@H](C)c1ccccc1 729417870 UZQICWKQLBTQAJ-HXUWFJFHSA-N 427.548 5.270 30 20 IKED Cc1cc2occ(CC(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)c2cc1C 731060495 LNCIPQXUUVMZKQ-OAHLLOKOSA-N 436.533 5.026 30 20 IKED C#CCN(C(=O)Nc1ccccc1C(C)(C)C)[C@@H]1CCOc2ccc(Br)cc21 733615112 SJZOTRNGZKTFHS-HXUWFJFHSA-N 441.369 5.738 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)c1 733770137 CYCSTPUAKVMICW-OAQYLSRUSA-N 440.503 5.052 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)c1 733844817 VTWUEFXOAGNZFK-KNQAVFIVSA-N 448.567 5.012 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)cc1 733920667 GGSPUBBPKALZNA-HSZRJFAPSA-N 439.902 6.435 30 20 IKED COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3OC)cc2)cc1OCCCC#N 741470026 OWCLRSHTEROWHL-OQLLNIDSSA-N 427.500 5.949 30 20 IKED COc1ccc(/C=C(/C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cc1F 747155247 TUAORWVBGWEMHK-CPNJWEJPSA-N 437.898 6.010 30 20 IKED N#C[C@H](NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1)c1cccc(Br)c1 749614379 BDJUQJCWHUHIRQ-SGQUHAKNSA-N 426.701 5.045 30 20 IKED C/C(=C/C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(Cl)c1 750574616 VHCNESPKKNVCIT-RTYFKUQISA-N 428.941 5.319 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)c1ccc(Cl)nc1Cl 751270391 ISTKYQPIJOFGSA-UHFFFAOYSA-N 434.304 5.162 30 20 IKED C=CCn1c(SCc2ccc(SC(=O)N(C)C)cc2)nnc1-c1ccc(OC)cc1 753062709 QLFULEBASYMJMH-UHFFFAOYSA-N 440.594 5.206 30 20 IKED CCc1cccc(CC)c1-n1c(-c2cccnc2)nn(CN(C[C@H](C)C#N)C2CC2)c1=S 753988038 MYVSJCIRVNXJBV-GOSISDBHSA-N 446.624 5.172 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(CCO)[C@@H]2CCCc3ccccc32)cc1 754436953 PDRQPNDXEQEIGG-CLJLJLNGSA-N 425.532 5.246 30 20 IKED COc1ccc(/C=C(/C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1F 755609945 LPUGRCZVUAJMLH-SMJHDNPOSA-N 434.414 5.743 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cc(F)ccc1Br 761249611 BRLBVYBONOXBOB-UHFFFAOYSA-N 442.313 5.217 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(Cc2noc(CSCc3ccc(C#N)cc3)n2)cc1 762285034 SKEVIGKRVNXPGI-UHFFFAOYSA-N 436.537 5.312 30 20 IKED CSc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)c(Cl)c1 765605444 KPLDWDJGWSJOSJ-IZZDOVSWSA-N 442.993 6.408 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)o1 767131934 PUXRDZZRCYFKET-GOSISDBHSA-N 440.421 5.379 30 20 IKED C[C@H](OC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)c1c[nH]c2ncccc12 767473442 UEMOIRVETYIJQR-INIZCTEOSA-N 441.512 5.155 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1ccc(Cl)cn1)c1nc(-c2ccc(Cl)cc2)cs1 769283974 RSEINRQVERPPLZ-HNNXBMFYSA-N 430.316 5.351 30 20 IKED N#CCCCn1cc(C(=O)OCc2ccc(OCc3cccnc3)cc2)c2ccccc21 769543811 SSQSNXDXAYSHKL-UHFFFAOYSA-N 425.488 5.276 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN2CCCC[C@H]2c2ccc(F)cc2F)c1=S 769847249 RYNVHLBJSRVVMX-FQEVSTJZSA-N 427.524 5.125 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cccc2c1CCCN2C(=O)OC(C)(C)C 778614332 BLGYAXWCLACDCN-UHFFFAOYSA-N 433.552 5.297 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 780165369 GOADSFUQWAYTRO-AWEZNQCLSA-N 428.385 6.055 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 780555486 WRCOQOGFQOXLCG-INIZCTEOSA-N 430.439 5.211 30 20 IKED COc1ccccc1COc1cccc(NC(=O)Nc2ccccc2O[C@H](C)C#N)c1C 780610674 BTUQJXIURHVHAT-QGZVFWFLSA-N 431.492 5.518 30 20 IKED COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 785679024 UIBHHPHPXLVALW-DNQXCXABSA-N 433.939 5.847 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)c1cncc(-c2ccccc2)c1)c1ccc(Cl)cc1Cl 787052618 NKZOUEQETFEMHX-VBKZILBWSA-N 438.314 5.255 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)c1ccc(NCc2cn(CCC#N)nc2-c2ccncc2)cc1 788520961 MYPIHBXFCKILMP-SFHVURJKSA-N 446.555 5.057 30 20 IKED C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 800519942 ZZJUFDRFJWQRQQ-NLFFAJNJSA-N 440.547 5.025 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2Cc3ccc(Cl)cc3C2)cc1 800526733 CIOVYIJJGKSRPW-QFIPXVFZSA-N 431.923 5.274 30 20 IKED C#C[C@H](NCc1csc(N(C(C)=O)c2ccc(F)cc2)n1)c1ccc(Cl)cc1F 809699809 STVFVMBOMPOJIM-FQEVSTJZSA-N 431.895 5.223 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 915106712 FFYMCTFWVKEXBH-OAHLLOKOSA-N 439.853 5.128 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nc2ccccc2n1C(F)F 915353471 NSIVDMZDZYQVAB-OXQOHEQNSA-N 445.473 5.970 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(N2CCCCC2)s1 916310366 YEEVSJXCSWMIIT-UHFFFAOYSA-N 434.590 5.367 30 20 IKED C[C@@H](Oc1ccccc1F)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995153 BGAOXUWDCJMLAB-BXUZGUMPSA-N 435.307 5.900 30 20 IKED N#C[C@@H](C(=O)CSc1cccc(C(F)(F)F)c1)c1nc2cc(Cl)ccc2s1 917047307 WNQJYKJPJSHFDV-ZDUSSCGKSA-N 426.872 5.937 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC[S@](=O)c2cc(Cl)ccc2Cl)n1 917187562 JHNXNGDRLICFIW-SANMLTNESA-N 439.311 5.487 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 920108253 DHUQSGGKMKDIHM-QRWLVFNGSA-N 430.470 5.671 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCc1ccc(C#N)cc1F 920673962 YRUAPEFLPYELNW-ZDUSSCGKSA-N 430.888 5.371 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3nc4ccccn4c3C)cc2)CCC1 1788934292 JXOOUVTXCZYVCH-UHFFFAOYSA-N 442.563 5.159 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cn4ccsc4n3)cc2)CCC1 1789333672 VQAUIHZQGUGFSA-UHFFFAOYSA-N 436.581 5.136 30 20 IKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C(C)C)no4)CCC3)cc2)c1 1790796206 CPVYXWGJUKBQLJ-UHFFFAOYSA-N 442.519 5.040 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1csc(-c2ccccc2)n1 1797178159 RNBPDCCHUACWQI-ACDBMABISA-N 437.609 5.054 30 20 IKED CC(C)=CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1 1800503480 XKAPOWYJPUPJCZ-LGKQTMLJSA-N 440.587 5.085 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3cccnc23)n[nH]1 1818479853 JEGBYMZGIBPEEF-QFIPXVFZSA-N 443.551 5.032 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(C)cc2)n[nH]1 1822053900 GATWXUULWPMZSD-GMAHTHKFSA-N 434.584 5.111 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccsc2)CC1 1827103201 MQUNAIJHWJUCTB-XZOQPEGZSA-N 428.642 5.069 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3sccc3[nH]2)CC1 1828711669 KGNFQEOZKJOFNB-KNQAVFIVSA-N 439.625 5.231 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3cc[nH]c23)CC1 1829066301 ALJWESLXHYEECF-QHCPKHFHSA-N 435.612 5.394 30 20 IKED CC[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)CC1 1830016049 AREYPHZFROJPKJ-OPHFCASCSA-N 435.612 5.008 30 20 IKED N#Cc1ccc(C23CC4CC(c5ccc(C#N)cc5)(C2)CC(c2ccc(C#N)cc2)(C4)C3)cc1 2048532807 RICMMDPSTIIKEA-UHFFFAOYSA-N 439.562 6.413 30 20 IKED CCn1c(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nnc1-c1ccc(Cl)cc1 21849112 IDPHWBXBFFRKBP-BXFSZVDSSA-N 446.020 5.030 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cc(C)ccc2C)[n+]2ccc(N(C)C)cc2)cc1 22729769 VPRRANOIVGURJW-UHFFFAOYSA-O 448.612 5.107 30 20 IKED Cc1ccc(-c2csc3ncnc(S[C@H](C)C(=O)NC4(C#N)CCCCC4)c23)cc1 25785897 DYZSVULAYCQGGE-MRXNPFEDSA-N 436.606 5.490 30 20 IKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc(C)c([N+](=O)[O-])c2)[n+]2cccc(C)c2)c1 28780302 RWTPRPASOUFNKY-UHFFFAOYSA-O 434.541 5.167 30 20 IKED C=CCN(CCc1ccccc1)C(=O)Nc1cc(OCC)c(OCC)cc1Br 62410278 XVMPMPKKQJUKQF-UHFFFAOYSA-N 447.373 5.509 30 20 IKED N#CCCSc1ccccc1NC(=O)COc1ccc2ccccc2c1Br 78668822 DNGKVANTXHIHAO-UHFFFAOYSA-N 441.350 5.626 30 20 IKED C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 96931257 OZZUSHYEHHKYPT-YQNUULROSA-N 440.594 5.104 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1 97008105 VWKMDMORMBUBPD-RUZDIDTESA-N 440.499 5.100 30 20 IKED CCN(C[C@@H](C)C#N)Cn1nc(Nc2ccc(Oc3ccccc3)cc2)sc1=S 110494782 ZVGKLFSZFMQTKK-INIZCTEOSA-N 425.583 5.649 30 20 IKED N#Cc1ccc(F)c(OCC(=O)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c1 114054516 BJDIYRQSJLBFLX-UHFFFAOYSA-N 430.262 5.845 30 20 IKED Cc1cc(C)c(N2C[C@H](C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)CC2=O)c(C)c1 195664289 AFFVBTXTNJLMJW-NVXWUHKLSA-N 437.952 5.104 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CC=C(c3ccc(O)cc3)CC2)cc1 216883706 QDGHOCUIBJQOHB-UHFFFAOYSA-N 426.541 5.486 30 20 IKED CC[C@H]1Oc2cc([C@@H](C)NCc3cccc(OCc4cccc(C#N)c4)c3)ccc2NC1=O 237085039 WZJUXZBXKBOVSW-IQGLISFBSA-N 441.531 5.098 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](c2ccco2)c2ccccc2OC)cc1 426110546 GMAXSJYPWOXIDF-DEOSSOPVSA-N 445.519 5.014 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc(Cc2ccccc2)no1 427206507 SBBHXHHRONUOIU-GOSISDBHSA-N 438.487 5.010 30 20 IKED N#C[C@@H](C(=O)c1ccc(I)c(Cl)c1)c1nc2ccccc2s1 429343039 AUFBSSPFOPXYIF-JTQLQIEISA-N 438.677 5.044 30 20 IKED Cc1ccnc(Oc2cc(NC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)ccc2C)c1 432168308 VFCIELMQZHZUAN-UHFFFAOYSA-N 442.519 5.438 30 20 IKED Cc1cc(Br)ccc1CN(C)C(=O)Nc1ccccc1SC[C@H](C)C#N 434159772 NFAOVALTFZYVNL-CQSZACIVSA-N 432.387 5.673 30 20 IKED COc1ccc(CNC(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1F 435811863 YLWYHCIOXGFXMU-OAHLLOKOSA-N 438.343 5.346 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H](Cc3ccccc3)C2)cc1 438191047 PKGCBIDDOQPHJI-OAQYLSRUSA-N 427.504 5.456 30 20 IKED C=CCC[C@H](NC(=O)NC1CCC(c2nc(C)no2)CC1)c1ccc(C(F)(F)F)cc1 441529116 HGQOFBNBVCHYKY-KVZIAJEVSA-N 436.478 5.430 30 20 IKED N#CCCCn1cc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)c2ccccc21 444172200 AMLGRYKRCJWYQI-UHFFFAOYSA-N 449.514 5.424 30 20 IKED N#Cc1ccc(Oc2ccc(-c3nc(CC(=O)Nc4cccc5ccccc45)no3)cc2)nc1 445349500 NRQZHSNWDFNHLT-UHFFFAOYSA-N 447.454 5.130 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1C#N 445564086 DRSZFXUWHXROJD-ZDUSSCGKSA-N 428.970 5.239 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCC(=O)c2csc3ccccc23)cc1 446010870 KZUFBGMVNJXDOX-UHFFFAOYSA-N 432.545 5.317 30 20 IKED Cc1cc2sc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c(C)c2cc1C 446084269 TXLJHODSDDOHBM-UHFFFAOYSA-N 431.561 5.189 30 20 IKED COc1cc(CNC(=O)N(Cc2ccc(-c3ccccc3OC)cc2)C(C)C)ccc1C#N 462477684 QQLAIPNOIKEOJE-UHFFFAOYSA-N 443.547 5.363 30 20 IKED N#C[C@H](NC(=O)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccc(Cl)c(Cl)c1 462548489 ICDWGAUQMVDFCF-UUWFMWQGSA-N 427.690 5.245 30 20 IKED C[C@@H](C(=O)NC1(c2ccc(OCc3ccccc3)cc2)CCOCC1)c1cccc(C#N)c1 464057366 FVAMLDZRGXKFHU-OAQYLSRUSA-N 440.543 5.063 30 20 IKED CSc1cccc([C@H](NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c2cc(F)ccc2F)c1 464130521 GGZMKQZKCOFVON-WNSKOXEYSA-N 438.499 5.231 30 20 IKED Cc1noc(COc2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)cc2)n1 464964980 SPCXVBHXXGFFOV-UHFFFAOYSA-N 440.459 5.182 30 20 IKED C=CCSc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)c(C)s1 466612481 UWKPZSDRWMEGAC-UHFFFAOYSA-N 435.574 5.534 30 20 IKED COCc1ccc([C@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)o1 467167732 DUNFRKZNTAAXDJ-XMMPIXPASA-N 445.519 5.440 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(COc2c(Cl)cccc2Cl)on1 467823519 FPNXOKBYVNYFIU-UHFFFAOYSA-N 442.302 5.260 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3[C@H](C(F)(F)F)[C@H]4CC[C@H]3O4)cc2Cl)cc1 467931330 WTPOLMDUUVKUQS-NCXUSEDFSA-N 436.817 5.298 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)S(=O)(=O)c1cccc(Cl)c1C#N 468781796 BPXUQMBGZZVVCR-CQSZACIVSA-N 431.970 5.025 30 20 IKED Cc1cn(-c2c(F)cccc2F)nc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 468782231 BXPPATXMIFXSML-LBPRGKRZSA-N 428.851 5.212 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCC(CCc4ccccc4)CC3)ccc21 470548861 KZQHEYRTIWIBHB-UHFFFAOYSA-N 444.579 5.146 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 470900348 APKNDIUTYIGVTG-IFXJQAMLSA-N 434.952 5.203 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1 473765590 MUTYISOSDBQGQL-UHFFFAOYSA-N 430.483 5.201 30 20 IKED Cc1ccc2nc(COc3cccc(C(=O)[C@H](C#N)c4nc(C(C)C)cs4)c3)cn2c1 474448022 RRBYANHQOZEURD-FQEVSTJZSA-N 430.533 5.292 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCc2cc(Br)cc(F)c2C1 475568463 AUJLXSFKBQGESU-UHFFFAOYSA-N 431.349 6.030 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)c3cc(F)c(Br)cc3Cl)n2)c1 476415645 PLMRKFNVQWPOLU-UHFFFAOYSA-N 436.693 5.489 30 20 IKED Cc1c(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cccc1C(=O)N1CCCC1 479577478 UIWVDEONSYFXBD-UHFFFAOYSA-N 441.556 5.506 30 20 IKED CCOc1ccccc1CN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481592326 BGXUFEPESLHBQV-UHFFFAOYSA-N 433.483 5.339 30 20 IKED COc1cccc(Cn2ccc3ccc(NC(=O)N(CCC#N)Cc4ccccn4)cc32)c1 484006657 JASLOBKVGURAHV-UHFFFAOYSA-N 439.519 5.041 30 20 IKED N#Cc1ccc(CN2CC[C@@H](NCc3ccc(-c4cccc(Cl)c4Cl)o3)C2=O)cc1 486894418 MKOYZZWJAQLGJC-HXUWFJFHSA-N 440.330 5.016 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N[C@H](C)c3ccc(Cl)cc3)o2)cc1 489792325 OWPNMDQNMKLBLF-HUUCEWRRSA-N 443.956 5.313 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1 491389033 ZPICUNXELIJULO-UHFFFAOYSA-N 435.474 5.858 30 20 IKED Cc1c(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)sc2nc(C(F)(F)F)ccc12 501119312 VMEBGUSWNPJFBH-UHFFFAOYSA-N 444.463 5.871 30 20 IKED C=CCn1c(SCc2coc(-c3cccc(F)c3)n2)nnc1-c1ccc(Cl)cc1 501592625 FJIZXXYFSIQSGE-UHFFFAOYSA-N 426.904 5.871 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc([C@@H]2CCCOC2)cc1 503041171 YJMVEDTYSGECPL-XMMPIXPASA-N 426.516 5.592 30 20 IKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1C(F)(F)F 509110349 MJYXECLUMLJSPS-INIZCTEOSA-N 440.490 6.360 30 20 IKED N#C[C@H](C(=O)c1ncn(-c2ccccc2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 509845620 DHXANTMBQKEXOV-OAHLLOKOSA-N 440.315 5.188 30 20 IKED C=CCn1c(SCCCn2ccnc2C)nc2scc(-c3cccs3)c2c1=O 511054003 XUTSFIVJVBGVFS-UHFFFAOYSA-N 428.608 5.060 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)C(c2ccccc2)c2ccccc2)cc1 511085430 JCRPNVWFISDASF-UHFFFAOYSA-N 432.523 6.102 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 511863504 ZYXRGXVQTXQKRJ-CQSZACIVSA-N 430.455 5.395 30 20 IKED CCN(C(=O)Cc1c(F)cccc1C#N)[C@@H](c1cccnc1)c1csc2ccccc12 512697478 RUVHQRAZUSPEBI-VWLOTQADSA-N 429.520 5.488 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)o1 513191980 YFQSSSLUPLXDCL-QGZVFWFLSA-N 436.393 5.345 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1ncc(-c2ccc(F)cc2)o1 517447817 RJXLOYQWMCIXAU-CQSZACIVSA-N 427.526 5.606 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)cc1 518587159 ZCRIKXVQEYRQOU-HXUWFJFHSA-N 437.952 5.047 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCCc2ccn(-c3ccccc3)n2)c1 522633099 CASFBWKNNAVKTK-UHFFFAOYSA-N 442.906 5.162 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)N(Cc2ccccc2)[C@H](C)c2cccs2)c1 524081480 KNZLSYGLVPBRJZ-LJQANCHMSA-N 434.561 5.432 30 20 IKED COc1cc([C@@H](C)NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)ccc1OC(C)C 524383383 ADGLJXUQQVVSAA-QGZVFWFLSA-N 434.492 5.017 30 20 IKED Cc1nn(Cc2ccccc2)c(C)c1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 524641021 JIXWWJOPCQOREL-KRWDZBQOSA-N 448.498 5.440 30 20 IKED N#Cc1cc(NC(=O)c2cc(-c3ccccn3)ccc2Cl)ccc1OCC(F)(F)F 533640731 HJBAKYVETHXUAY-UHFFFAOYSA-N 431.801 5.467 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccccn4)c3C(C)C)n2)cc1 534692641 SLODYVWBVQGTIR-SFHVURJKSA-N 427.533 5.313 30 20 IKED Cn1c(=O)oc2c(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cccc21 535311940 AAXAHDQHSLSFOG-ZDUSSCGKSA-N 444.299 5.052 30 20 IKED Cc1ccc(OCCCC(=O)Nc2ccc(CN[C@@H](C)c3ccc(C#N)c(F)c3)cc2)cc1 537406127 BHPUQEXEHWKHOC-FQEVSTJZSA-N 445.538 5.654 30 20 IKED Cc1cc(-c2cc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)c3cnn(C(C)C)c3n2)c(C)o1 538580092 NECRUSZCLHEVRQ-GOSISDBHSA-N 447.564 5.959 30 20 IKED Cc1ccc(C#N)cc1NC(=O)N[C@@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F 538620555 OCECQZWGXDWWTE-FQEVSTJZSA-N 427.430 5.094 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)n1 540875902 HBXPAGNDKGACGS-UHFFFAOYSA-N 443.894 5.454 30 20 IKED CCOc1ccccc1Oc1ccccc1C(=O)Nc1cc(C#N)ccc1OCCOC 541359219 QEVPOTQQGBTOKR-UHFFFAOYSA-N 432.476 5.027 30 20 IKED CCN(CC)C(=O)CCC1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 543005046 JSRAMZNEGJJIJO-UHFFFAOYSA-N 449.620 5.210 30 20 IKED CO[C@H](C)c1nc(Cc2noc(-c3ccc(Sc4ccccc4C#N)cc3)n2)cs1 546530207 PKVHMNVNQLLORE-CQSZACIVSA-N 434.546 5.514 30 20 IKED Cc1nn(CC(F)F)c(C)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 546894824 YXLRUSFEMHEZEY-UHFFFAOYSA-N 430.842 5.335 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)NCC#Cc2cccc(F)c2)nc1-c1ccccc1 549205236 UXVUYBOKNCPTBL-JOCHJYFZSA-N 431.511 5.502 30 20 IKED Cc1ccc2c(c1)CN(C(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)CCO2 554398745 ZMUDLEBAUXJGRH-UHFFFAOYSA-N 427.504 5.067 30 20 IKED C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(c2nc3ccccc3s2)CC1 555243517 WPTZJTUVCJXYPU-UHFFFAOYSA-N 430.581 5.218 30 20 IKED CC1(C#N)CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@H]2CCCO2)CC1 555409508 GILNOFCKQSTXKI-OAHLLOKOSA-N 441.988 5.122 30 20 IKED COc1c(NCc2cccc(OCc3ccccc3C#N)c2)cc(Cl)cc1C(=O)N(C)C 556411150 ZTRXTIIBFFOFFC-UHFFFAOYSA-N 449.938 5.113 30 20 IKED C[C@@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 565513562 JYVNISBEZYRQSD-CQSZACIVSA-N 426.398 5.203 30 20 IKED Cc1cnccc1OC1CCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 568353140 WKLPFJNUOFWKPT-FQEVSTJZSA-N 440.547 5.243 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 573251419 LYWRCBSWBMFZHG-OXQOHEQNSA-N 449.555 5.694 30 20 IKED Cc1cccc(COc2cccc(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)c2)c1 583642895 PLOGJPUTZGQDPU-UHFFFAOYSA-N 426.520 5.058 30 20 IKED N#CCCn1cc(CN2CCC(c3c[nH]c4ccc(F)cc34)CC2)c(-c2ccccc2)n1 589207902 YYOKGGPHMMINND-UHFFFAOYSA-N 427.527 5.464 30 20 IKED COc1ccc(-c2ccc(C(=O)N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c(F)c2)cc1 592609660 GDEUZFMLZWCWCP-GJZGRUSLSA-N 449.366 5.704 30 20 IKED N#C[C@@H](C(=O)c1oc2ccccc2c1COc1ccccc1)c1nc2cc(F)ccc2s1 592973806 HWRMBDQIOGHJAL-SFHVURJKSA-N 442.471 6.251 30 20 IKED Cc1cc(C)c(C#N)c(SCC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)n1 601973934 JROSASWJKCOLAU-QFIPXVFZSA-N 440.572 5.092 30 20 IKED CSc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 602330712 XSOBLFABILANFA-UHFFFAOYSA-N 433.558 5.263 30 20 IKED C=CCN(C(=O)c1cc2cccc(OC)c2o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603615929 QLFSJRPEQXDNGV-UHFFFAOYSA-N 435.461 5.306 30 20 IKED C=CCN(C(=O)c1sc2cccc(Cl)c2c1Cl)c1nc(C(=O)OCC)cs1 604534042 FJMSDBMOXZEXRV-UHFFFAOYSA-N 441.361 5.674 30 20 IKED C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 606182350 URUBAGZRZIIUQL-HONMWMINSA-N 435.330 5.473 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(OCc2cccnc2)cc1 609060756 MHMRTBJOWWCYCZ-UHFFFAOYSA-N 449.510 5.672 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1nc2ccccc2[nH]1 609078928 DOMAYZVEPABEMI-QGZVFWFLSA-N 425.492 5.205 30 20 IKED N#C[C@H](NC(=O)CCCOc1ccc(F)cc1F)c1ccc(OCc2ccccc2)cc1 609174625 PWBNHMPUTFXYQO-QHCPKHFHSA-N 436.458 5.084 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1nnc([C@@H](CC)c2ccccc2)s1 609318899 FVNQNYXVYNSHRH-IBGZPJMESA-N 437.525 5.208 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccccc1SC[C@H](C)C#N 609376817 JZSAYMFTOQQPGI-OAHLLOKOSA-N 438.984 5.576 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 609376928 LGASISDOSFCJDL-IBGZPJMESA-N 438.556 6.043 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc(-c3ccco3)nc21 609377565 IBVNGHWOIIQBAE-MRXNPFEDSA-N 445.548 5.776 30 20 IKED CC1CCN(Cc2cccc(CNC(=O)Nc3ccccc3SC[C@@H](C)C#N)c2)CC1 609399315 MZRLIRMSBBZBOG-FQEVSTJZSA-N 436.625 5.492 30 20 IKED C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609941674 FPEYVCQJAQVYMX-INIZCTEOSA-N 433.895 5.162 30 20 IKED N#C[C@H](C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1nc2cc(C(F)(F)F)ccc2s1 609959705 PTTILIJBUZEEGN-GFCCVEGCSA-N 425.775 5.367 30 20 IKED Cc1ccc(C)c(Sc2ccc(NC(=O)C(=O)N[C@H](C)c3cccc(C#N)c3)cc2)c1 610385573 XFGYJZKYKCLUAN-GOSISDBHSA-N 429.545 5.142 30 20 IKED Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)N1CCC[C@@](C)(C#N)C1 612312990 VTSUFHONYIDOMY-VWLOTQADSA-N 433.531 5.889 30 20 IKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)C2CCCC2)nnc1-c1ccccc1 613809185 QFEQIEXTOLEIQL-HSZRJFAPSA-N 432.593 5.271 30 20 IKED CCN(C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H](C)c1ccc(F)cc1 616090187 OLWYUXDGZDBZED-IACUBPJLSA-N 428.392 5.828 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 618750593 WPZFGOHBEKMBDJ-QFIPXVFZSA-N 436.943 5.083 30 20 IKED CCN(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@H](c1ccc(Cl)cc1)c1ccccn1 619114391 TYWAGWHEDTVKDJ-XMMPIXPASA-N 442.906 5.513 30 20 IKED CSc1ccc(-c2csc(NC(=O)c3cc(C4CC4)nc(SC)c3C#N)n2)cc1 619141254 POPCCLGGWZQFNY-UHFFFAOYSA-N 438.603 5.650 30 20 IKED COc1ccc(C[C@H](NC(=O)NCc2ccc(C#N)c(Cl)c2)c2ccccc2)cc1OC 619770270 OBSOWIKKHFLSNP-QFIPXVFZSA-N 449.938 5.012 30 20 IKED CC1(C)CN(C(=O)c2c(F)c(F)cc(F)c2F)C[C@@H](c2cccc(C(F)(F)F)c2)O1 622618000 UUSIRIFXGZHUOU-AWEZNQCLSA-N 435.339 5.254 30 20 IKED C=CCn1c(S[C@H](C)c2nc3ccccc3n2C(F)F)nnc1-c1ccccc1OC 648199325 BMPKGXPFJNPNAF-CQSZACIVSA-N 441.507 5.738 30 20 IKED CC[C@H](C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 674491863 GZZGZICFMDHUKB-NFAWXSAZSA-N 449.357 6.225 30 20 IKED CC(=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1sc(C(C)(C)C)nc1C 727058671 UGTZHSVTWZVFMW-UHFFFAOYSA-N 442.610 5.386 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1 728015158 YXYVOHAQFATVDM-UHFFFAOYSA-N 427.021 5.421 30 20 IKED N#Cc1cccc(COc2ccc(NCc3nc(-c4ccc(Cl)cc4)no3)cc2F)c1 728200380 APLUNKBNOXVYFS-UHFFFAOYSA-N 434.858 5.592 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/Cc3c(ccc(Cl)c3Cl)C2=O)cs1 729150723 LSFWMDMSNRBFJW-ZROIWOOFSA-N 443.355 6.265 30 20 IKED Cc1oc(-c2cccs2)nc1CON=C(Cc1nc2ccccc2n1C)c1ccccc1 731664606 TYWHCDACKSAOLT-UHFFFAOYSA-N 442.544 5.762 30 20 IKED CCc1ccc([C@@H]2CCCCCN2C(=O)NCc2ccc(OC)c(O[C@@H](C#N)CC)c2)o1 740478648 ICKPZVIPRQMSGC-RTWAWAEBSA-N 439.556 5.358 30 20 IKED Cc1c(C(=O)/C=C\C2=Cc3cc(Br)ccc3OC2)cnn1-c1ccc(C#N)cc1 741852457 OKEJVJXDEUUIOD-YWEYNIOJSA-N 446.304 5.030 30 20 IKED COc1ccc([C@H](NC(=O)Nc2cccc(OCC#N)c2)c2ccccc2Cl)c(C)c1 743103138 PAGADIQQFSEVBV-QHCPKHFHSA-N 435.911 5.471 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1 743224166 BFULMDOASPKEEW-QGZVFWFLSA-N 434.540 5.340 30 20 IKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CC2CCC2)c1 743526765 WTEJHWISIPOIST-HXUWFJFHSA-N 443.519 5.034 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C(\C)c1ccccc1OC(F)F 753394804 MTDZSCVEVNLKNV-OCKXMSAZSA-N 426.463 5.164 30 20 IKED CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)C1 759219668 ZJECUYHLUBDISA-WMZOPIPTSA-N 425.554 5.024 30 20 IKED Cc1sc2ncn(N=Cc3sccc3Br)c(=O)c2c1-c1ccccc1 764895696 ZWYGMNMKKFDPNC-UHFFFAOYSA-N 430.352 5.140 30 20 IKED C=CC[C@H](N[C@@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1)c1ccncc1 766020906 QWNWTWPXOMFSLZ-CYFREDJKSA-N 427.614 5.051 30 20 IKED CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1ccc(C)cc1 768413259 VPNOISHOYJVYJG-LJQANCHMSA-N 433.581 5.009 30 20 IKED Cc1sc2nc([C@@H](C)OC(=O)c3cn(CCCC#N)c4ccccc34)nc(O)c2c1C 769546659 PRXGHLKOJDPQFO-CQSZACIVSA-N 434.521 5.190 30 20 IKED C=CCc1cc(OCC)cc(CN2CCC(N(CCC)C(=O)c3cccs3)CC2)c1O 769846390 XZTSSJCUYOWBHN-UHFFFAOYSA-N 442.625 5.098 30 20 IKED C[C@H](N[C@@H](C)c1ccccc1C(F)(F)F)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 775458729 MIRQPWMGFZFOGC-YUMQZZPRSA-N 426.307 5.079 30 20 IKED C=C(C)[C@H](NC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1)c1ccc(F)c(F)c1 776183301 SZTGDBHVSJWJQH-GGAORHGYSA-N 426.463 5.120 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCCCN3Cc3ccccc3)n2)cc1 779194775 NRSASOLUCPEBGK-JTHBVZDNSA-N 431.561 5.050 30 20 IKED N#Cc1ccc(CN[C@@H]2CCCc3nc(-c4ccccc4Br)sc32)nc1 783295114 ZRSZWNRGGCBOHZ-QGZVFWFLSA-N 425.355 5.006 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(CCCC#N)C2=O)c1 784117508 GVVLQWBLAZFJNG-NRFANRHFSA-N 448.592 5.184 30 20 IKED CCSCc1cccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 784978487 QCROCOCGRPJCLL-QHCPKHFHSA-N 429.545 5.172 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 789889875 ORIYMIKNTXLRGX-AUSIDOKSSA-N 436.596 6.379 30 20 IKED C[C@@H]1CC[C@H](N2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccsc2)C1 790739289 XUWXOCLJILFVHL-QIIPPGSGSA-N 431.558 5.036 30 20 IKED COCCC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 791751073 MWOVSYDOUAJTJW-IZZNHLLZSA-N 427.548 5.501 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 796795972 APLYIMPAIGOKLI-FQEVSTJZSA-N 448.404 5.005 30 20 IKED C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H]1c1nc2ccccc2s1 809911697 UNTRQPGBHZTGTC-FQEVSTJZSA-N 447.564 5.100 30 20 IKED C#C[C@@H](NC(=O)C(=O)Nc1ccccc1SCc1ccccc1)c1ccc(Cl)cc1 810472004 AMMBLOQZCYZBRW-HXUWFJFHSA-N 434.948 5.062 30 20 IKED CCOC(=O)c1ccc(C#N)c(SCC(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)n1 818135613 RNZHWXIBLZSCCI-QGZVFWFLSA-N 447.560 5.133 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)/C=C\c3ccccc3C#N)s2)c(C(F)(F)F)c1 916056793 YEXNPLRFUOZHFQ-FPLPWBNLSA-N 438.434 5.148 30 20 IKED C=CCN1C(=S)N[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 916167321 PWEDXIGPFRTJGJ-IBGZPJMESA-N 431.483 5.035 30 20 IKED CCCOc1cc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)ccc1OC 916333400 KWDMTCYYEZWKMP-UHFFFAOYSA-N 437.352 5.220 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(OC)cc3)n2)cc1 916951165 XNAOAALYVQEODY-QRWLVFNGSA-N 433.533 5.293 30 20 IKED N#C[C@H](C(=O)CCCCc1ccc(Br)cc1)c1nc2ccccc2n1C(F)F 917044648 UJJQWCUZIWXQLO-MRXNPFEDSA-N 446.295 5.783 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c1=S 917475898 AZVNPGFCQMDHQG-IBGZPJMESA-N 446.407 5.763 30 20 IKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc2ccccc2c1 917699632 AEGOHUQUIFZKHJ-HSZRJFAPSA-N 441.556 5.050 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 918492561 VFMGSUAFOPWVEF-FOIQADDNSA-N 443.450 5.467 30 20 IKED CC(C)N(CC(=O)[C@H](C#N)c1nc2ccccc2s1)Cc1ccc(Br)cc1 920089816 UIEWNKYMAHEVBS-KRWDZBQOSA-N 442.382 5.146 30 20 IKED C[C@H](OC(=O)c1ccccc1-c1ccccc1C#N)C(=O)Nc1ccc(OC(F)F)cc1 921182653 NIJWONCKDJFUQP-HNNXBMFYSA-N 436.414 5.011 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(OCC(F)(F)F)cc1 921255377 PEUZIOWIJQKLDT-UHFFFAOYSA-N 443.450 5.257 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(C)ccc4[nH]3)CCC2)cc1 1786678847 CCMIOIWSXOUGTM-UHFFFAOYSA-N 433.577 5.143 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)cc2)CCC1 1787134604 QJDQIGUQUPRQQE-UHFFFAOYSA-N 443.522 5.372 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4nc(C)ccc4c3)cc2)CCC1 1789034370 JYEMAMXQTDALHI-UHFFFAOYSA-N 425.532 5.094 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)CCC2)c1 1790291139 YZHLSUNJVKBKOI-IBGZPJMESA-N 448.526 5.247 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(C)cccc3Cl)CCC2)cc1 1790566813 DORHOBGCFYTPSR-QGZVFWFLSA-N 441.959 5.197 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCc2cccc(Cl)c21 1801427004 UDFVOKQINGLQNT-YRPNKDGESA-N 429.004 5.000 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(C)cc2)[C@@H]1c1cccnc1 1810501189 AFNVQEQZGJIJIK-AZGAKELHSA-N 447.623 5.021 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)CCCCC)[C@H]1c1cccnc1 1812693987 QKZAANZAGFBZOE-MDNUFGMLSA-N 427.633 5.296 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCC(F)(F)F)n[nH]1 1815567913 QVWLDDQKSFQIHI-MRXNPFEDSA-N 428.499 5.127 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnc(-c4ccccc4)s3)CC2)C1 1823702085 GJOCNHMPXNLUEH-JOCHJYFZSA-N 449.620 5.010 30 20 IKED Cc1c(Cl)cccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1 1823916586 YADGHIMPPPXRJH-DEOSSOPVSA-N 449.982 5.067 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(OC)c2)CC1 1824142947 AVVJVTBNPGDFJT-RUZDIDTESA-N 438.612 5.005 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1828151376 BWLDXWIVLMFDMF-UZUQRXQVSA-N 442.003 5.267 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2)CC1 1829997590 JZBSZEBKRVEEST-LAUBAEHRSA-N 436.518 5.151 30 20 IKED COc1cc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3oc2=O)ccc1OC(F)F 15634526 KRMMEZITQBAIMJ-GHRIWEEISA-N 449.409 5.222 30 20 IKED C[C@@H](NC(=O)CSc1ncnc2scc(-c3ccccc3)c12)c1ccc(C#N)cc1 26110768 CPRQCWDKWVGWIO-OAHLLOKOSA-N 430.558 5.199 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2CC)c1 26996678 GVELXKDYZIITMO-IBGZPJMESA-N 447.000 5.126 30 20 IKED C=CCc1ccc(OCC(=O)N2CCc3sccc3[C@H]2c2cccs2)c(OC)c1 45620188 RZLBMZMPVOMNPM-QHCPKHFHSA-N 425.575 5.100 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1SCC(F)(F)F 63390327 CVBUMDVUCJKADT-UHFFFAOYSA-N 425.432 5.469 30 20 IKED Cc1nc(-c2ccccc2)sc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 64714751 DFOZHBHIDYWHQH-CQSZACIVSA-N 437.496 6.010 30 20 IKED C=CCn1c(S[C@H](CC)C(N)=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 72086386 GUDHCVFCQJKYBN-JOCHJYFZSA-N 443.576 5.011 30 20 IKED CCCN(Cc1ccc(C#N)cc1)Cc1c(O)ccc2c(=O)c(-c3ccccc3)c(C)oc12 108224917 QFSUIUUIIOVQQA-UHFFFAOYSA-N 438.527 5.758 30 20 IKED COc1ccc2cc([C@H](C)C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)ccc2c1 108505730 XJNXBRGDUTYADC-INIZCTEOSA-N 426.438 5.415 30 20 IKED Cc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C)n1CC(F)(F)F 115659321 DNCXVMTWZCPOGN-UHFFFAOYSA-N 441.453 5.565 30 20 IKED C=CCn1c(SCC(=O)N(CC)[C@@H](C)c2ccc(F)cc2)nnc1-c1cccc(C)c1 195678441 PASHLPGWLJDYOE-SFHVURJKSA-N 438.572 5.280 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)c2cccc3ccccc23)nnc1-c1ccccc1F 215789346 IIKMWNNCRBXHGY-KRWDZBQOSA-N 446.551 5.393 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCC(=O)c1ccc2c(c1)CCC2 303173683 JQPPYELWRSMVRV-UHFFFAOYSA-N 438.527 5.536 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)Nc2cc(C3CCC(C(C)(C)C)CC3)[nH]n2)cc1 426608493 SSROPHRDVSIBLI-UHFFFAOYSA-N 435.572 5.108 30 20 IKED Cc1ccc(-c2c[nH]cc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)s1 427089094 XEDWQLAVYQUVAR-UHFFFAOYSA-N 427.529 6.063 30 20 IKED Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 428508720 VNHNCSMDTOKYGX-FQEVSTJZSA-N 427.552 5.403 30 20 IKED COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1cccc(SCC#N)c1)CC2 429938760 USTXUSZWEIZEJC-RUZDIDTESA-N 444.556 5.107 30 20 IKED Cc1nc2ccccc2n1C1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 432072451 SCEAEPHDXRHTFI-UHFFFAOYSA-N 435.531 5.009 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](Sc2cccc(Cl)c2)C1 433127845 UWXWQFWVNBLFMY-MAUKXSAKSA-N 432.014 5.990 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(NC(=O)N(C)C)cc1Cl 435042784 WNAXBESDRQKELB-UHFFFAOYSA-N 449.898 5.053 30 20 IKED Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 436324773 MJERUMCPHIKMDC-FQEVSTJZSA-N 425.410 5.478 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(OCc3ccccn3)cc2)cc1F 437462991 XWTQOFBDVFNCMV-UHFFFAOYSA-N 439.446 5.716 30 20 IKED N#Cc1cccnc1OC1CCC(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 438625945 YUGLPYBUUGUBQV-UBVWURDFSA-N 443.572 5.293 30 20 IKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)N[C@H](CCC#N)c3ccccc3)c2)c1 438851532 YNHBFNVASGZBBC-XMMPIXPASA-N 441.535 5.483 30 20 IKED CCCc1c(NC(=O)Nc2cc(OC)c(C(C)C)c(OC)c2)cnn1-c1cccc(C#N)c1 439670777 IFJOLVSKUSBNNM-UHFFFAOYSA-N 447.539 5.481 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(COC2CCOCC2)cc1 443941129 UUZNWBVEXXUPCO-SFHVURJKSA-N 439.581 5.098 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1cccc(F)c1 447034464 RRUPSSHVWQOZRB-GAJHUEQPSA-N 447.535 5.064 30 20 IKED Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)c2ccc(C(F)(F)F)c(F)c2)n1 448456382 IWDCZYPQBMRTMJ-UHFFFAOYSA-N 433.283 5.474 30 20 IKED Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)c1cccc(CC#N)c1 460242500 SFEZCZWXNNKDAD-UHFFFAOYSA-N 426.495 6.050 30 20 IKED COc1ccc([C@H](NCc2cccc(OCCCC#N)c2)c2ccccc2Cl)c(C)c1 462755578 MFJSYECFSLDSJV-SANMLTNESA-N 434.967 6.219 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 463995196 JNPBUYPNHGNQPB-UHFFFAOYSA-N 436.874 5.267 30 20 IKED Cc1cc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc(C)c1OCc1cccnc1 464939871 PDJQSWPNZDLMMV-LOSJGSFVSA-N 425.532 5.189 30 20 IKED N#Cc1cccc(CCNC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)c1 466614293 QNBFKQFGDOEFHF-UHFFFAOYSA-N 429.570 5.312 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@]3(C2)OCc2ccccc23)cc1 473660257 MGOMWUXJQLJKAG-AREMUKBSSA-N 441.487 5.022 30 20 IKED CC[C@@H](C)n1ncc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1C1CC1 477536282 KRTUNCFZRPVJEL-QGZVFWFLSA-N 430.577 6.148 30 20 IKED CC(C)N(C(=O)CCC(=O)N(CCC#N)c1ccccc1)c1cccc(C(F)(F)F)c1 479086221 RZEMBFOHRKKCHX-UHFFFAOYSA-N 431.458 5.174 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccccc2OCc2cscn2)cc1 480873720 XTUGRQMNGKEVJI-UHFFFAOYSA-N 443.553 5.997 30 20 IKED C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)c1ccc(Oc2ccccc2)cc1 481072100 JIBRFWFTYDPTFB-QZTJIDSGSA-N 449.532 5.047 30 20 IKED C=C(C)CN(C)CC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccccn1)CC2(C)C 481242734 ZZIBKZPXVBSXPX-MDZDMXLPSA-N 432.593 5.239 30 20 IKED CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 483086274 IEAKDPPLUBFIOO-UHFFFAOYSA-N 447.362 5.230 30 20 IKED CCCCCN(C(=O)c1cnn(C)c1C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 483114586 DGHMLAPVUWZNFC-UHFFFAOYSA-N 448.379 5.559 30 20 IKED CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 487336567 HNAJSMZLEBQLBN-HFMPRLQTSA-N 448.954 5.489 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)s2)cc1 487415740 GCWGZZYDMDJACR-UHFFFAOYSA-N 448.935 5.485 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(C)ccc2OC)nnc1-c1cccc(Cl)c1 489617946 CZIWVAQWSUGQMG-OAHLLOKOSA-N 442.972 5.221 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3[C@@H](C)CC)o2)cc1 489788258 PNXTWNMCAUDDEC-IRXDYDNUSA-N 437.565 5.934 30 20 IKED COc1ccc(Cl)cc1CN(C)C(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 497293535 HIXZDGKNWFVVGR-UHFFFAOYSA-N 436.943 5.015 30 20 IKED C=CCn1c(SCc2ccc(Oc3ccccc3)nn2)nnc1-c1ccc(Cl)cc1 498034210 ZCOLBJFEMJSUHY-UHFFFAOYSA-N 435.940 5.659 30 20 IKED C=CCn1c(SCc2ccc(OCc3cccnc3)cc2)nnc1-c1cccc(C)c1 499337316 DBZUCGVFIOZAED-UHFFFAOYSA-N 428.561 5.706 30 20 IKED CCCOc1ccc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 499649710 YTKRCSCTOCGLTQ-UHFFFAOYSA-N 429.520 5.442 30 20 IKED Cc1ccc(NC(=O)c2cc3ccccc3cc2OCCCC2(C#N)CCOCC2)cc1 499982580 WCWQNRMFGTZJJM-UHFFFAOYSA-N 428.532 5.880 30 20 IKED C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 500277754 NHDBPCRINPWVIZ-CQSZACIVSA-N 425.426 5.257 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1SCc1coc(-c2cccc(Cl)c2)n1 501618171 AYJOKTPJHDSWJS-UHFFFAOYSA-N 444.004 5.093 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3cc4ccccc4nc3O)cc2Cl)cc1 502841881 ODJQIBYYOSCFKP-UHFFFAOYSA-N 443.890 5.829 30 20 IKED N#Cc1cnc2c(F)cc(F)cc2c1N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 505777357 NUXFQLOEZHZPCA-UHFFFAOYSA-N 444.844 5.032 30 20 IKED C[C@@H](Nc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1Cl)c1ccccc1 505970892 OUEDTTYKAYTYAX-VOIUYBSRSA-N 441.959 5.713 30 20 IKED C=CCn1c(COCc2ccccc2)nnc1N1CCC(c2c[nH]c3ccccc23)CC1 508505881 OLHJIIREHZZZFL-UHFFFAOYSA-N 427.552 5.046 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nc(-c2ccccc2)ccc1C#N 510218725 UICKYCOBQDCRQR-UHFFFAOYSA-N 439.544 5.154 30 20 IKED CCN(Cc1nc(O)c2ccccc2n1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 510650351 ZTKNMMAASRJSOD-UHFFFAOYSA-N 439.475 5.053 30 20 IKED CC(C)Oc1cccc([C@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 511414000 JMMPEEMIZUUUMW-FQEVSTJZSA-N 443.547 6.002 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)cc1 511689022 YBMQJTPCDBKHLC-UHFFFAOYSA-N 431.536 5.154 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)s2)cc1 512949654 YSWBHIAXAAFNLY-SFHVURJKSA-N 446.557 5.526 30 20 IKED CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c(C)c1 513266479 HNFNCOYHPUSOLH-IBGZPJMESA-N 441.531 5.226 30 20 IKED CC(=O)N(c1nc(CN(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cs1)C1CC1 514109156 KNOXXLTYEQNPRW-UHFFFAOYSA-N 434.540 5.184 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1ccc(Cl)c(C#N)c1 515602163 QWVXMABQQXITLB-UHFFFAOYSA-N 448.306 5.879 30 20 IKED N#CCCCOc1cccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c1 515615467 WOWFUISDZRAUPW-UHFFFAOYSA-N 444.318 5.902 30 20 IKED Cc1ccc(/C=C\c2cc(C(=O)N(C)C[C@H](C)C#N)c3cc(Br)ccc3n2)o1 517939542 ZIZXCMRCLCZZRM-IQCBXXCUSA-N 438.325 5.301 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc(Cl)c3N3CCOCC3)cc2)cc1 518371018 MLFJVTKFHHNZHR-UHFFFAOYSA-N 447.922 5.287 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(COCc2ccccc2)cc1 520197785 OZGQOVAEIJJBMP-FQEVSTJZSA-N 445.588 6.119 30 20 IKED N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H](CC2CCCCC2)c2ccccc2)cc1 522373474 CHMQWFWIRWCDCK-DEOSSOPVSA-N 438.593 5.206 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)[nH]c12 522829243 ZMUCCKSDDZVVOB-SFHVURJKSA-N 426.863 5.679 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cnc(-c4ccccc4)nc3)cc2Cl)c1 524248583 BOXIRAIUWFLSAR-UHFFFAOYSA-N 440.890 5.500 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Cn4cnc5ccccc54)cc3)o2)cc1 524378338 OQBQIEWGDHPJAX-UHFFFAOYSA-N 448.482 5.381 30 20 IKED O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1F 524390135 UXTOQUUCWNWWBH-UHFFFAOYSA-N 442.312 5.502 30 20 IKED CCCCN1CCCC[C@@H]1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 524558082 FXPSSAPCLRMNLJ-HSZRJFAPSA-N 434.584 5.108 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(COCc3ccccc3)cc2)c1 525051035 KNKYIFCIWBFRAK-UHFFFAOYSA-N 438.483 5.699 30 20 IKED N#Cc1ccc(NC(=O)C(=O)Nc2cccc(CSCc3ccccc3)c2)cc1Cl 527142882 OLMKRNLJQZWCQO-UHFFFAOYSA-N 435.936 5.222 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1CCN(c2ccncc2C)CC1 531204793 CUDKNXKDPQKYGT-UHFFFAOYSA-N 426.520 5.218 30 20 IKED C=CCn1c(SCc2ncc(C3CC3)o2)nc2scc(-c3cccs3)c2c1=O 535511384 OTFWARSSSOHZIC-UHFFFAOYSA-N 427.576 5.530 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(Cc4cccnc4)CC3)cc2F)c1 536719070 DNTPABPEHJXREX-UHFFFAOYSA-N 444.510 5.158 30 20 IKED CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 536735395 XJKPWOJEXPCDQR-IQGLISFBSA-N 447.510 5.368 30 20 IKED Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1ccccc1Oc1ccccc1C#N 540855652 YJYQLZIIAWWQCV-UHFFFAOYSA-N 427.504 5.297 30 20 IKED Cc1ccc(C2CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2)cn1 541177797 UTHHFBYTSCVCJH-UHFFFAOYSA-N 440.547 5.447 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)c1oc2cc(OC)ccc2c1-c1ccccc1 542296292 ARGVZSBWCCQMBB-UHFFFAOYSA-N 442.471 5.258 30 20 IKED N#Cc1cc(C(=O)N2CCCc3c(NC(=O)c4ccc(F)cc4)cccc32)ccc1Cl 542550335 KNLWCWUQXBJSLU-UHFFFAOYSA-N 433.870 5.196 30 20 IKED C[C@@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1nccs1 543608296 DSHSXIXVRDRYBF-AWEZNQCLSA-N 426.929 5.172 30 20 IKED N#C[C@H](C(=O)c1ccc(N2CCCCCC2)nc1)c1nc(-c2c(F)cccc2F)cs1 546156053 PFSXTXMDBSZBJR-MRXNPFEDSA-N 438.503 5.354 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(OC2CCCC2)CC1 549248815 YTUPDZJPILSFNB-SFHVURJKSA-N 428.552 5.061 30 20 IKED CC[C@H](c1ccccc1OC)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 554407722 UHKDVAVXHBVMMZ-HSZRJFAPSA-N 442.519 5.434 30 20 IKED N#CCCN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc(F)cc1 558050587 QBWXNGRAYWYYBY-UHFFFAOYSA-N 439.830 5.740 30 20 IKED CC(=O)N[C@H](CC(=O)N(Cc1ccccc1)c1ccccc1C#N)c1ccc(Cl)cc1 561506914 QNAICHRPWFXSRA-HSZRJFAPSA-N 431.923 5.012 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 570731109 QBHVAEWJBSNLEJ-ZCNNSNEGSA-N 446.517 5.268 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(F)c1Br 576841730 NIQSFCBEOIKBSO-UHFFFAOYSA-N 439.284 5.600 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCCN3c4ccccc4C[C@@H]3C2)cc1F 577988104 ASTPKMOOGFWIAF-OAQYLSRUSA-N 442.494 5.159 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1 581520704 KUWJCHGNLWWTRE-QFIPXVFZSA-N 430.335 5.241 30 20 IKED C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(OC2CCCCC2)CC1 583219537 ZWOLTXMQIBPQOP-UHFFFAOYSA-N 433.600 5.175 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(Cc4ccc(F)cc4)n3)n2)cc1 589019495 UDDZPPFFJRYGOH-SFHVURJKSA-N 449.532 5.495 30 20 IKED N#C[C@H](C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1nc2cc(F)ccc2s1 592975743 OGVSUBFQIQKBJC-QGZVFWFLSA-N 449.894 5.831 30 20 IKED C[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1ccc(OC(F)F)cc1 604044188 AJMMNOOBDNBICH-MRXNPFEDSA-N 437.446 5.178 30 20 IKED Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)[nH]c2c1 604509975 OEJSOGFPXMVBFM-JOCHJYFZSA-N 438.491 5.299 30 20 IKED C=CCN(CCc1ccccc1)C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 604804886 GFBHXBGOIOVVOQ-UHFFFAOYSA-N 448.588 5.064 30 20 IKED CN(C(=O)c1cccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1)c1ccccc1 609166982 QFSGDAXUMSPUER-UHFFFAOYSA-N 447.494 5.879 30 20 IKED N#C[C@@H](NC(=O)c1cc(Br)ccc1F)c1ccc(OCc2ccccc2)cc1 609171891 HXCWZVXSUPPKDZ-OAQYLSRUSA-N 439.284 5.162 30 20 IKED N#CCCCOc1cccc(NC(=O)[C@H](Sc2cc(F)ccc2F)c2ccccc2)c1 609298277 KEZOFJLRJPKQCN-HSZRJFAPSA-N 438.499 6.119 30 20 IKED Cc1ccccc1CN(Cc1ccccc1)C(=O)Nc1ccccc1S[C@H](C)CC#N 609435008 KKIGMYNGNQZPAN-OAQYLSRUSA-N 429.589 6.624 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 609499597 UAOXHIXCOSDGAQ-OAHLLOKOSA-N 425.410 5.598 30 20 IKED CCOC(=O)c1sc(NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)c(C#N)c1C 609620718 MSMNEMJZVHKWBF-UHFFFAOYSA-N 441.896 5.198 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3OC(F)(F)F)cn2)c1 610152203 UOZLFNFBENBYQI-RTBURBONSA-N 439.393 5.386 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)COc1ccccc1C#N 610156241 NUJOXPVNWLKEFE-UHFFFAOYSA-N 442.494 5.621 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1C(F)F 610893487 SYEHOVVKDOYAGR-JTQLQIEISA-N 432.418 5.363 30 20 IKED N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)n1 611599303 VVBCTWYVJVXSRG-GOSISDBHSA-N 444.297 5.559 30 20 IKED C=CCn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nnc1-c1ccc(F)cc1 669910020 KJUGMCKPUULCTF-UHFFFAOYSA-N 445.523 5.114 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)N[C@H]3CCc4cc(C#N)ccc43)c2)cc1 683776233 PNUZVZXTQKOHBJ-MHZLTWQESA-N 438.527 5.076 30 20 IKED Cn1c(C(=O)[C@H](C#N)c2ccc3ccccc3n2)ccc1-c1ccc(Br)cc1 726319027 WPORKWHOSUYLTO-GOSISDBHSA-N 430.305 5.493 30 20 IKED CC(C)n1ncc2cc(/C=C3/CCc4nc(-c5ccccc5)sc4C3=O)c(Cl)nc21 727266578 AJWAMYXMFIDMDO-GDNBJRDFSA-N 434.952 6.002 30 20 IKED N#CCOc1ccc(CNC(=O)N2CCC(CCc3cccc(C(F)(F)F)c3)CC2)cc1 727844994 YRBIGSOWWGXXEP-UHFFFAOYSA-N 445.485 5.162 30 20 IKED N#C[C@@H](C(=O)CCCCc1ccc(I)cc1)c1nc2ccccc2o1 727954911 QYHAVYOXATUENZ-INIZCTEOSA-N 444.272 5.022 30 20 IKED CC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccccc1OC 728119106 IJQYJAUBKWLAHF-QHCPKHFHSA-N 429.520 5.727 30 20 IKED COC(=O)c1sc2ncc(C(=O)/C=C\c3csc(-c4cccs4)n3)cc2c1C 728440671 RFNNTIQFDPKFBD-WAYWQWQTSA-N 426.544 5.472 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1 730422313 WBFHISJJZZMHBX-MRXNPFEDSA-N 425.485 5.201 30 20 IKED CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2)ccc1OCCn1c([N+](=O)[O-])cnc1C 730435754 AXAFZICELBRESG-SOFGYWHQSA-N 449.507 5.090 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)[C@H](Oc2cccc(C(C)C)c2)c2ccccc2)n1 730692493 YYPSJXSMCCHGDB-NFBKMPQASA-N 448.544 5.440 30 20 IKED N#C[C@H](C(=O)COc1ccccc1OCc1ccccc1)c1nc2cc(Cl)ccc2s1 730922750 ZXOHYKPECGYJTE-GOSISDBHSA-N 448.931 5.784 30 20 IKED Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 731066607 YGYZWDLQIGARBX-IBGZPJMESA-N 447.560 5.284 30 20 IKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cnn1-c1ccccc1Cl 732708962 WBQXOSXVQHDSRF-OAHLLOKOSA-N 447.709 5.102 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Cc2coc3ccc4ccccc4c23)ccc1OC 733231615 DJYVXUKHXDKFKV-HXUWFJFHSA-N 428.488 5.134 30 20 IKED Cc1cc(-c2cc(C(=O)OCc3ccc(OCC#N)cc3)c3cnn(C(C)C)c3n2)c(C)o1 733405479 HGJQLGABSBRJRL-UHFFFAOYSA-N 444.491 5.148 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)c1 733774269 LYFQAOVUTAYCBB-GOSISDBHSA-N 434.521 5.003 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)CCCSc2ccc(Br)cc2)c1 733775557 ZVURTQGKKBRGDW-SFHVURJKSA-N 447.398 5.319 30 20 IKED CC[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Cl)s1 734075151 ZTNUJLWVLOJIRS-OALUTQOASA-N 437.952 5.263 30 20 IKED C=CC[C@H](NC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1)c1ccncc1 734683251 KELYGXOEVVEFDM-QFIPXVFZSA-N 447.410 5.313 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1CN(C)C(=O)OC(C)(C)C 737002737 KMPIHRGPZBJQKS-UHFFFAOYSA-N 439.556 5.282 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)c3ccc(C4SCCCS4)cc3)c2)s1 739594918 AFOZJNWGDNNEKK-UHFFFAOYSA-N 436.627 6.085 30 20 IKED Cc1nnc(-c2cccc(C#N)c2)n1CN(C)CCCCCc1cc(-c2ccccc2)no1 739854498 UTIRDIANYSMNOS-UHFFFAOYSA-N 440.551 5.083 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)/C=C(\C)c2ccccc2C(F)(F)F)ccc1OC 741929194 KLGFMOOIBQDHLC-GSPCDJLXSA-N 432.442 5.115 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=S)NCc1ccc(OC(F)(F)F)cc1 742999317 PZOJNXSMMOVEHD-CYBMUJFWSA-N 425.501 5.466 30 20 IKED CCc1c(C)sc(NC(=O)c2cc(Cl)c(NC(=O)OC(C)(C)C)cc2OC)c1C#N 744361709 UCTFLEDQNROVQT-UHFFFAOYSA-N 449.960 5.752 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 747203546 ARRHQRUJFZXMCH-SGTLLEGYSA-N 433.386 5.088 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)[C@@]2(Cc3ccccc3)C[C@H]3CC[C@H]2C3)ccc1OC 747879366 SGEJAUXDASPYMS-DULCQUKNSA-N 432.564 5.041 30 20 IKED CN(C(=O)c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1)c1ccccc1 756927128 OIXIPGXNCPKEEI-MHZLTWQESA-N 445.522 5.871 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc2ccccc2nc1Br 760185253 ALFGVJDPXZXIAN-YLJYHZDGSA-N 435.325 5.301 30 20 IKED C#CCOc1ccccc1-c1noc([C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)n1 761990296 SJBBMAGLNHWFPA-LAUBAEHRSA-N 433.508 5.118 30 20 IKED CN1CC[C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)[C@H]1c1ccc(F)c(F)c1 764514512 VGUXTWFNBPHJOJ-GVXSCFBNSA-N 446.501 5.187 30 20 IKED O=C(COc1c(Cl)cccc1Cl)OCC(F)(F)C(F)(F)C(F)(F)C(F)F 764753393 NLPLHOVCALCSDF-UHFFFAOYSA-N 435.094 5.086 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(OC(C)(C)C)cc2)cs1 764919591 FJBQYFHNGBVTNU-ZROIWOOFSA-N 438.524 6.040 30 20 IKED COc1ccccc1[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccco1 768969052 JELGJBCFYLXVBW-ZEQKJWHPSA-N 437.499 5.855 30 20 IKED COc1ccc(-c2cc3[nH]c(/C(Cl)=C/c4ccc(C#N)cc4F)nc(=O)c3s2)cc1 772795708 DLKZZZNSRLVRCV-SXGWCWSVSA-N 437.883 5.408 30 20 IKED CCOc1ccc(-c2nc(CON=Cc3c(C)nn(Cc4ccccc4)c3C)co2)cc1 772899036 RZBQACLGFCOPDH-UHFFFAOYSA-N 430.508 5.153 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H]2CCCc3nc(-c4ccc(C)cc4)sc32)ccc1OC 772987158 TUUUBDKBCSCUGZ-RTWAWAEBSA-N 447.604 5.975 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CC=C(c2ccc(Cl)nc2)CC1 773813629 AQWUUTGLHTWWLV-UHFFFAOYSA-N 431.948 5.687 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 781449210 XVGPJYJCUSYGFG-OAHLLOKOSA-N 448.784 5.460 30 20 IKED O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccc(N2CCNC2=O)cc1 782369125 KZEAVANYBGQHEB-YIXHJXPBSA-N 445.906 5.018 30 20 IKED N#CCOc1ccc(CC(=O)N[C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)cc1 784641137 XFKKQDDBCOBOKK-QHCPKHFHSA-N 425.315 5.344 30 20 IKED CC[C@@H](NC(=O)[C@@H](C#N)C(=O)c1sc(-c2ccccc2)nc1C(F)F)c1ccccc1 787034774 BLGXHIDOLXQJHA-DLBZAZTESA-N 439.487 5.338 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NCc1cc(C#N)ccc1F 790751666 FEGBDLCONAPCED-UHFFFAOYSA-N 433.327 5.077 30 20 IKED C=C(C)Cn1c(SCCC2CCN(C(=O)OC(C)(C)C)CC2)nnc1-c1ccncc1 794433200 QFAIVKYEQNXCJR-UHFFFAOYSA-N 443.617 5.046 30 20 IKED C[C@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)C(=O)N1c2ccccc2Sc2ccccc21 796038996 KILKQHXHYMYEEI-KRWDZBQOSA-N 442.540 5.863 30 20 IKED CC(=O)c1oc2cc(C)ccc2c1CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 805863996 CXBIAVUKHWOROC-HXUWFJFHSA-N 439.496 5.358 30 20 IKED C=C(C)CN1C(=O)/C(=C\c2cc(Br)c(OCCC)c(OC)c2)SC1=S 814291831 AFULGXLLNKWPCB-OQLLNIDSSA-N 442.400 5.024 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2(Cc3ccc(F)cc3)CCOCC2)cc1 814577775 RLEDCCLYZWZOKZ-VWLOTQADSA-N 443.522 5.395 30 20 IKED CC(=NNc1nccnc1C(C)C)c1sc(-c2ccc(Br)cc2)nc1C 814916264 DSVAIIIAHDMPSR-UHFFFAOYSA-N 430.375 5.631 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc2oc(CN3CCCC3)nc2c1 816764913 KFIIDOYBZJZHQV-UHFFFAOYSA-N 438.487 5.340 30 20 IKED N#Cc1c(Br)cccc1OCc1nc(-c2ccc(C(F)(F)F)s2)no1 904967499 HKMRPAITKDZKQW-UHFFFAOYSA-N 430.205 5.030 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)cc1 915199745 KPBMRLJMHSVARO-DEOSSOPVSA-N 438.527 5.564 30 20 IKED Brc1ccc(OCc2ccccn2)c(C=NNc2cccc3ncccc23)c1 915964251 YJOJFLDUXDZIPA-UHFFFAOYSA-N 433.309 5.417 30 20 IKED N#Cc1cccc(OCC(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1 916096929 DTNNVKANCZVVSF-NRFANRHFSA-N 429.907 5.020 30 20 IKED Sc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(-c2nc3ccccc3s2)o1 916276516 AFFTZZVUWOIOBE-UHFFFAOYSA-N 437.937 5.639 30 20 IKED CC[C@@H](C)NC(=O)c1cccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 916477224 TYWCAAOCBBOTFP-KBMIEXCESA-N 440.547 5.192 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1 916896394 GGKAPYDZVDVZJG-IBGZPJMESA-N 439.393 5.162 30 20 IKED C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916932485 WOAPDRNBZTUXQK-BXKDBHETSA-N 446.117 5.415 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2cccc(Br)c2)cc1 916955070 MDNTXUNPJLTSDC-FOIQADDNSA-N 427.342 5.243 30 20 IKED Cc1cc(O[C@@H](C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1Cl 917042916 IAJNBJTYZFXLHU-FZMZJTMJSA-N 438.858 5.921 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2CCC[C@H]2c2cccc3ccccc23)c1=S 919951967 XWPQIRXTGMAQKI-QHCPKHFHSA-N 427.577 5.610 30 20 IKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2c(C)cccc2C)s1 920170393 KQEBPZGLWPUZHP-LPHOPBHVSA-N 441.622 5.035 30 20 IKED CC(C)(C)c1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920804815 ZUHGFQTVDBTYFG-AWEZNQCLSA-N 426.488 5.641 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(N2CCCC2=O)c1 920977172 VFVKXOUDPNUATD-DFBJGRDBSA-N 438.531 5.352 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ncccc34)cc2)CCC1 1788949036 YSNOERKVHYEPMC-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)s2)[C@H]1c1cccnc1 1810494616 FRABHYNWKLQKHP-PXNSSMCTSA-N 446.016 5.109 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cccc(F)c2F)CC1 1829069957 CVEAWDZLGRQLLN-QFIPXVFZSA-N 446.582 5.119 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnc(-c4ccccc4)s3)CC2)C1 1829418966 GBNNFGUFFPXDNY-QFIPXVFZSA-N 449.620 5.010 30 20 IKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)CC1 1829455045 YHLPJNMMMICNHW-KRWDZBQOSA-N 441.424 5.092 30 20 IKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](CCC)CC2)CC1 1831561780 RDEAAUAHQIPVFN-QLBJFCOMSA-N 446.676 5.195 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cccc(OCc2csc(C)n2)c1 16708247 JSDUALVYFZBHFF-UHFFFAOYSA-N 428.897 5.174 30 20 IKED COc1ccc(-c2nc(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)cs2)cc1OC 18944511 JXAOSLODZISDMJ-UHFFFAOYSA-N 442.496 5.585 30 20 IKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nc2sc(C)c(C)c2c1=O 20989872 YVAXBFPSBKSCQQ-UHFFFAOYSA-N 444.969 5.257 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2cc(C)ccc2C)cc1 22729750 WBNVJPKUQDUBAO-UHFFFAOYSA-O 431.625 6.211 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cc(C)ccc2C)cc1 22729794 VMDOEZJDTCGGLM-UHFFFAOYSA-O 443.636 6.083 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cc1 26036963 ZINLSNPCIXHWQY-UHFFFAOYSA-N 425.941 5.358 30 20 IKED CC(C)CCn1c(SC[C@@H](C#N)CCC#N)nc2sc3c(c2c1=O)CC[C@H](C)C3 61729141 QQRCDCUUAOIWGK-JKSUJKDBSA-N 428.627 5.165 30 20 IKED C=CCc1cc(OC)ccc1OC(=O)CCc1ncc(-c2ccccc2Br)o1 195603178 FFITVLWRGXIMKR-UHFFFAOYSA-N 442.309 5.379 30 20 IKED C=CCOc1ccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1 209793725 FIJGLVVNBQLDFV-SFQUDFHCSA-N 432.332 5.746 30 20 IKED C[C@@H](C#N)Oc1ccc(CN[C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)cc1 237503941 CAYOUVUREHWPBT-RBUKOAKNSA-N 431.511 5.149 30 20 IKED N#Cc1nc(Sc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)ccc1Cl 301728212 WDYAQFQEKDAOJR-UHFFFAOYSA-N 425.304 5.054 30 20 IKED CC(=O)c1ccc(C#N)c(N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)c1 302090173 GJVVLGFJBQNSAI-UHFFFAOYSA-N 428.467 5.107 30 20 IKED N#Cc1ccc(NC(=O)c2ccccc2OCc2ccccc2Br)cc1C#N 303972827 FIHOVLUPWUGFAZ-UHFFFAOYSA-N 432.277 5.024 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 429795790 ZAUVURNSHMESCT-QGZVFWFLSA-N 433.325 5.385 30 20 IKED CC(C)(c1ccc(C(=O)N[C@H](C#N)c2cccc(Br)c2)cc1)C(F)(F)F 433870033 VMEFWUFVEHYVHP-MRXNPFEDSA-N 425.248 5.284 30 20 IKED C[C@H](NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(OC(F)F)cc1OC(F)F 437103097 YQUBNFVAGWZPNY-DINDLPBHSA-N 433.364 5.024 30 20 IKED COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccc(CC#N)cc1)CCO2 437596693 AHCQHKVRYQJKDA-XMMPIXPASA-N 427.504 5.319 30 20 IKED CCN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H](Cc1ccc(F)cc1)C(C)C 438081363 ZKRSSCZHKQNHTA-AVRDEDQJSA-N 427.589 6.199 30 20 IKED Cc1ccnc(Oc2cc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)ccc2C)c1 438671002 FHCHSRHAFZHEIQ-DHIUTWEWSA-N 426.520 5.794 30 20 IKED Cc1cccc(NC2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CC2)c1 438671462 NNVUHBLKCJLUJP-UHFFFAOYSA-N 444.510 5.907 30 20 IKED C=CCC[C@H](NC(=O)N[C@@H](C)c1nnc2n1CCCCC2)c1ccc(C(F)(F)F)cc1 440817651 DHNKHOWKUYMYGO-YJBOKZPZSA-N 435.494 5.091 30 20 IKED Cc1ccc(-c2ccc(CN(Cc3nnc(-c4cccc(C#N)c4)o3)C(C)C)s2)cc1 441206658 LTKWMXUEFYQXQW-UHFFFAOYSA-N 428.561 6.056 30 20 IKED CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 441902660 RLMZQBUPPVGWBB-SFHVURJKSA-N 437.849 5.025 30 20 IKED C=CCCCN(C)C(=O)C(=O)Nc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1C 441986269 ZVMLBUOLSXOPBI-UHFFFAOYSA-N 436.531 5.095 30 20 IKED COc1ccc(CN(C(=O)NCC2CCC(C#N)CC2)[C@@H]2CCCC[C@H]2C)cc1OC 442729877 OSVDBHKAZBUCSI-FYYGKBSSSA-N 427.589 5.124 30 20 IKED Cn1c([C@H](NC(=O)c2cn(CCCC#N)c3ccccc23)c2ccccc2)nc2ccccc21 443980844 ADZXOJWHYYMIRL-AREMUKBSSA-N 447.542 5.351 30 20 IKED Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1cn(CCCC#N)c2ccccc12 444041286 YWDDYEVPMVMNSU-UHFFFAOYSA-N 442.563 5.568 30 20 IKED COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1cn(CCCC#N)c2ccccc12 444409963 GXOBSZRNSWIUQK-MRXNPFEDSA-N 425.916 5.264 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F 446352246 RLXJDLPVWGTKRF-SFHVURJKSA-N 425.813 5.352 30 20 IKED C=CCN(C(=O)C1CCC(NC(=O)C(C)(C)C)CC1)c1nc(-c2ccccc2)cs1 448095657 AXDMYPBABDPOJK-UHFFFAOYSA-N 425.598 5.050 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCCC[C@@H](SCC)C1 460953841 VYOFPTNDKYUWEQ-FSSWDIPSSA-N 426.630 5.211 30 20 IKED Cc1ccnc(Oc2cc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)ccc2C)c1 461309184 OJXITMHMBVEGLK-UHFFFAOYSA-N 442.519 5.156 30 20 IKED Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 464150331 LTDRVBXWNQSAPP-MSOLQXFVSA-N 429.568 5.607 30 20 IKED N#C[C@H](C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1)c1cc(C(F)(F)F)ccn1 464419708 DYAPYVLFKGQPHU-ZDUSSCGKSA-N 439.315 5.080 30 20 IKED N#C[C@H](C(=O)c1cc(Br)cc(Br)c1)c1cc(C(F)(F)F)ccn1 464423236 UXXXTQYXXNANST-LBPRGKRZSA-N 448.036 5.115 30 20 IKED N#CC[C@H](CC(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccccc1 475524075 UIIYFBCLJISNNC-RUZDIDTESA-N 434.543 5.302 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O 475577815 IGHQLCMOTLVQBK-JOCHJYFZSA-N 441.522 5.129 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 476165446 TUXAFPCQDICZRI-UHFFFAOYSA-N 426.564 5.923 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@H](C)c2cccc3ccccc23)nnc1-c1ccco1 479842993 GQFJAOWBBMHWAG-QGZVFWFLSA-N 432.549 5.237 30 20 IKED CC1(C)CN(C(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)CC[C@H]1C(F)(F)F 482044823 IUQLBIVEWBNOGW-CQSZACIVSA-N 437.359 5.081 30 20 IKED C=CCN(CC1CCCCC1)C(=O)CCc1nc(O)c2c3c(sc2n1)C[C@H](C)CC3 484885434 DVHYJNZWPFJURW-MRXNPFEDSA-N 427.614 5.049 30 20 IKED N#CCCC[C@H](NC(=O)CCOc1ccc(Cl)cc1Br)c1ccccc1 487468534 DNVQSSZNFGPHHQ-SFHVURJKSA-N 435.749 5.423 30 20 IKED C=CC[C@@H](C(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)c(C)s1)c1ccccc1 488608046 NEWZSKFJMSHNML-GOSISDBHSA-N 425.579 5.115 30 20 IKED CC(C)[C@H](Sc1nc(C(F)(F)F)ccc1C#N)C(=O)Nc1ccccc1C(F)(F)F 488751861 JOITYPLNTANEFY-HNNXBMFYSA-N 447.404 5.746 30 20 IKED CCSc1ccc([N+](=O)[O-])cc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 490719877 NNRBOJJSDYJTFB-ZDUSSCGKSA-N 445.472 5.599 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)NC3(c4cccc(C#N)c4)CC3)s2)cc1 497413935 CFSGELBQGOAWEH-MRXNPFEDSA-N 432.549 5.048 30 20 IKED C=CCc1ccc(OCC(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)c(OC)c1 498463062 DEVFDWLRXYDMFR-UHFFFAOYSA-N 430.504 5.002 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2oc3ccccc3c2C)cc1C 500618319 ORUFTAKTPZBMHN-LJQANCHMSA-N 426.520 5.626 30 20 IKED COCCn1c(C)c(C)c2cc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)ccc21 503561971 LUOHXWHKCXGIIU-SFHVURJKSA-N 436.462 5.139 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)CSCc3ccc(C#N)cc3)s2)cc1 505136080 PWHJTNHYNPTTPM-OAHLLOKOSA-N 437.590 5.109 30 20 IKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)N[C@H](C)c1ccc(C#N)cc1)CC2 505332146 BUSUQTCVCKCCDL-VOIUYBSRSA-N 447.560 5.055 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2(c3ccccc3C)CCOCC2)cc1 505649771 YPUVJHKQVXEMFH-UHFFFAOYSA-N 442.515 5.355 30 20 IKED C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@H](c2nccs2)C1 508474307 SRAXLJBRQCFRAM-SFHVURJKSA-N 447.564 5.144 30 20 IKED CC(C)Oc1ccc(Cl)cc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 508544011 KPUDRMWVKDEQDD-UHFFFAOYSA-N 444.969 5.395 30 20 IKED C=CCn1c(SC[C@H]2CCN(C(=O)c3ccccc3)C2)nnc1-c1cccc(Cl)c1 509075710 SBTWSELWOBXDQO-KRWDZBQOSA-N 438.984 5.039 30 20 IKED Cc1cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c(C)cc1Br 510195133 SZBFUFWYBOGOEV-UHFFFAOYSA-N 436.309 5.686 30 20 IKED CN(Cc1ccc(Cl)s1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510220966 DULRUONQOUXDSH-UHFFFAOYSA-N 435.987 5.081 30 20 IKED C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC(Oc2ccc(C#N)cc2F)CC1 512843927 KOXRUTXXUVPJLO-LJQANCHMSA-N 443.522 5.235 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1c[nH]c2ccccc12)C(F)(F)F 513152036 AXOKLEFFYOTBQU-LHSJRXKWSA-N 446.498 5.394 30 20 IKED N#C[C@H](C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(C(F)(F)F)cn1 513215209 VBURNYCIJYOGBI-IBGZPJMESA-N 432.405 5.443 30 20 IKED Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)oc2ccc(Cl)cc12 515656005 AOQMPCLKQWXVDF-UHFFFAOYSA-N 430.891 6.292 30 20 IKED COc1ccc(-n2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 518502347 UXGGCGABOCYVIT-GOSISDBHSA-N 434.908 5.148 30 20 IKED Cc1noc([C@H]2CCCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2)n1 519992625 AQVAJVBCDYSRRH-FXAWDEMLSA-N 435.915 5.098 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)COc3ccccc3OCc3ccccc3)n2)cc1 522111289 KGNMGPCPWRRJRZ-UHFFFAOYSA-N 441.512 5.278 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)c1 524186008 FROIGMMHVARJEG-UHFFFAOYSA-N 447.850 5.379 30 20 IKED COC(=O)c1ccc(CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 524622271 BHEJQJBLQYKYHK-JOCHJYFZSA-N 432.907 5.353 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc4ccccn4c3)s2)c(C(F)(F)F)c1 531051271 NVAAFKZBAYSEET-UHFFFAOYSA-N 426.423 5.129 30 20 IKED CC(=O)c1ccc2c(c1)CCN(C(=O)c1cccc(Oc3cccc(Cl)c3C#N)c1)CC2 534412463 VYQVBBABTOVSPD-UHFFFAOYSA-N 444.918 5.448 30 20 IKED CC(=O)N1CC[C@H](NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c2ccccc21 535307369 IUUSJMCFFJINAM-QFIPXVFZSA-N 445.906 5.232 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4cc(C#N)ccc4NC4CC4)cc3)o2)cc1 539919687 BDANCDHNVUJKKV-UHFFFAOYSA-N 435.487 5.410 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)Nc2cccc3c2CN(c2ccccn2)C3)cc1 540251386 AJWURSFOVXDYDG-UHFFFAOYSA-N 445.526 5.462 30 20 IKED C=CCCC[C@H](C)NC(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1 540552197 DSMSZGWNLPCNIP-AWEZNQCLSA-N 433.911 5.606 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCC(CCCn3ccnc3)CC2)cc1Cl 541237664 IGJSTGYXZXFDHP-UHFFFAOYSA-N 448.954 5.533 30 20 IKED CN(Cc1ccccc1)Cc1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1 543211014 SFKKORDHNVSTGH-OAQYLSRUSA-N 444.485 5.553 30 20 IKED N#Cc1cccnc1-n1cc(NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)cn1 546600886 LRRWLQGDCLFZBY-UHFFFAOYSA-N 447.829 5.278 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1scnc1C1CCCC1 546776810 KCEAXEYMUYRBSV-UHFFFAOYSA-N 425.501 6.078 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(c2ncccc2Cl)CC1 549291235 VZXUPJLTUMQPQN-UHFFFAOYSA-N 446.986 5.359 30 20 IKED CN(Cc1cccc(C#N)c1)c1nnc(-c2ccc3ccccc3n2)n1Cc1cccs1 549574731 XZLLZDVZXCGDJJ-UHFFFAOYSA-N 436.544 5.111 30 20 IKED Cc1nc2cccc(-c3noc(C4(C)CCN(c5ccc(Cl)cc5C#N)CC4)n3)c2[nH]1 564282264 GQEAEPLEPDUIOD-UHFFFAOYSA-N 432.915 5.005 30 20 IKED COc1ccc([C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(C)c1OC 571675483 FTNYVOIOPMEBHL-SFHVURJKSA-N 446.572 5.667 30 20 IKED C=CCn1c(COCc2ccccc2)nnc1N1CCc2c(ccc(Cl)c2Cl)C1 572766998 VHMCZFQOFIGVJD-UHFFFAOYSA-N 429.351 5.050 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)CC2)c(F)c1 581628670 KISBTMGMTXEYRE-UHFFFAOYSA-N 426.706 5.513 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 582629506 NPCIQHOJFMBRFL-RYQLBKOJSA-N 441.557 5.074 30 20 IKED C=CCn1c(SCC(=O)Nc2cccc([C@@H](C)OC)c2)nnc1-c1ccc(Cl)cc1 588828576 ZXMPIJSNJIXCCZ-OAHLLOKOSA-N 442.972 5.223 30 20 IKED CC(C)N(Cc1ccc(F)cc1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590979302 GDJXNCAKLACWFW-FOLVSLTJSA-N 428.392 5.655 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 592974013 MCLIKBLCFGGPHC-CQSZACIVSA-N 427.913 6.011 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 604466677 VWQNXHWHGYFTDV-SFHVURJKSA-N 447.991 5.619 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1cnn(Cc2ccccc2)c1 609079108 JALVAJNGSYPQKT-UHFFFAOYSA-N 437.503 5.335 30 20 IKED COc1ccccc1[C@H]1CCCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 609282216 NCJWYRHMXRZMSH-XMMPIXPASA-N 427.504 6.118 30 20 IKED Cc1c(C(=O)Nc2ccccc2SCCC#N)cnn1-c1cccc(Br)c1 609375554 QBCJGORNBSUTNV-UHFFFAOYSA-N 441.354 5.201 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 609400222 SRNSVAPIGBRVQJ-QFIPXVFZSA-N 449.963 5.190 30 20 IKED CC(C)[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nnc2ccccn12 609724356 RDGJJQAFLFRVIA-JOCHJYFZSA-N 445.910 5.174 30 20 IKED Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 609727592 NAGXBMPCGNSLLQ-UHFFFAOYSA-N 445.906 5.913 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(N3CCCC3=O)ccc2F)cc1Cl 610171771 TWKFKXDNLBEKLF-NRFANRHFSA-N 447.897 5.514 30 20 IKED N#Cc1ccc(OC2CCC(NC(=O)c3sc4cc(F)ccc4c3Cl)CC2)nc1 611257013 UUEABFCCRYAZSM-UHFFFAOYSA-N 429.904 5.080 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@H](C(F)(F)F)CC[C@H]1C 611556948 IHMOTVCMDYFIDB-APWZRJJASA-N 431.458 5.640 30 20 IKED C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC(OCc2ccc(F)cc2)CC1 669814164 OFEDUEVEAYQDMI-UHFFFAOYSA-N 443.526 5.004 30 20 IKED Cc1ccc(OC(F)F)c(CNC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 674931875 CDFXIMMXSYQITF-ITGUQSILSA-N 448.354 5.305 30 20 IKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(C3CCC3)C2=O)cc1 730460049 TVXUPGWQUWEPQB-JOCHJYFZSA-N 449.576 5.019 30 20 IKED N#C[C@H](C(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)c1nc2ccccc2s1 730685403 HSBRMKCZASAHAI-OPAMFIHVSA-N 436.895 6.085 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)C1CCCCC1 731124319 GJIGAJFOGOFMIK-MBSDFSHPSA-N 435.593 5.315 30 20 IKED FC(F)Oc1ccc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)cc1Cl 731485930 IOMAURKPBYVCEH-UHFFFAOYSA-N 444.894 5.448 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C(C)(C)Oc1cccc(Cl)c1 733013693 RYWUWKWPHWYKIL-HNNXBMFYSA-N 446.956 5.074 30 20 IKED O=C1/C(=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)COc2c(Br)cccc21 733083324 HQFNUWKKKWNKBI-GHXNOFRVSA-N 443.278 5.140 30 20 IKED Cc1cc(C(=O)N[C@H](C#N)c2ccccc2Br)c(C)n1[C@@H](C)c1ccccc1 733267518 YHCZKNAKESKARN-KSFYIVLOSA-N 436.353 5.471 30 20 IKED C#CC[C@@H](OC(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1)c1ccccn1 733691530 WFQIECCISOABHJ-LJQANCHMSA-N 439.309 5.048 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N[C@H](c2ccccc2)C2CCOCC2)cc1 734353347 LKZROFULSVLONF-AREMUKBSSA-N 426.516 5.035 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1 739155734 UNAISCAZDDWJOJ-FOIQADDNSA-N 430.470 5.356 30 20 IKED COc1ccccc1-c1ccc(C=Nn2c(S)nnc2COc2c(C)cccc2C)cc1 741462276 NGKRNOVWQSNLRU-UHFFFAOYSA-N 444.560 5.320 30 20 IKED COc1ccc(/C=C/C(=O)c2cnn(-c3cc(C)ccc3C)c2C)cc1OCCCC#N 741843247 OMJZHCBOWHXNEO-PKNBQFBNSA-N 429.520 5.385 30 20 IKED O=C(/C=C\c1ccc(Oc2cnccn2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 743056057 BEPKPFYIFRTBHG-YFHOEESVSA-N 429.457 5.802 30 20 IKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2sc(C3CCCC3)nc2C)ccc1Cl 745610117 HPJQASNNMHSGAC-UHFFFAOYSA-N 445.972 5.175 30 20 IKED C=CCc1cc(CN[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc(OC)c1OC 747851294 XGBHHUBHCMICHV-VWLOTQADSA-N 430.548 5.210 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1C#N 752300669 LTINMMZKKUOSAS-OAHLLOKOSA-N 449.536 5.148 30 20 IKED Cn1c(CC(=NOCc2ccc(C#N)cc2OC(F)F)c2ccccc2)nc2ccccc21 753117906 BLJAOVWGEIKQMR-UHFFFAOYSA-N 446.457 5.210 30 20 IKED O=C1/C(=C/c2cnc(-c3ccccn3)s2)CC/C1=C\c1cnc(-c2ccccn2)s1 753135080 NHYNJDIUYAELOO-JOBJLJCHSA-N 428.542 5.554 30 20 IKED COc1cccc(CN(C(=O)Cc2ccc(OCC#N)cc2)C23CC4CC(CC(C4)C2)C3)c1 755379097 MQUGMFJPFUNKIO-UHFFFAOYSA-N 444.575 5.138 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2c(C)nn(C(C)(C)C)c2C)c1 755609606 AUXPALSJVBSULD-UHFFFAOYSA-N 440.617 5.028 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cncc(-c2ccc(Cl)cc2)c1 757875536 PXKLBEXCKIRJRZ-QFIPXVFZSA-N 425.875 5.516 30 20 IKED C=CCOc1ccc(/C=C/C(=O)O[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cc1OC 758911963 PQDXFDHBCAEVID-PEKVBPLLSA-N 434.492 5.244 30 20 IKED N#CCOc1cccc(CC(=O)O[C@@H](CC(F)(F)F)c2ccc(Br)cc2)c1 760455681 PJCJWEMILGYGRM-KRWDZBQOSA-N 442.231 5.131 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2F)NC1=O)Nc1cc(Cl)cc(Cl)c1 766284729 XSIHKLUTGOKBKV-AWEZNQCLSA-N 446.718 5.034 30 20 IKED O=C(/C=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Br)cc1F 767737971 ROKCDGDQTMUJHY-ALCCZGGFSA-N 433.258 5.516 30 20 IKED CCOc1ccc(-c2nc(CON=C(C)c3nc4ccccc4n3C(F)F)co2)cc1 772877776 XXFXROMHVAWLTO-UHFFFAOYSA-N 426.423 5.426 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)n1 780402231 JFRRDWZDAPYJRC-NRFANRHFSA-N 444.535 5.677 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 780498708 MSBXCHCPTZTAPE-CYBMUJFWSA-N 425.382 5.038 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1 780680445 FAXQHUMEAGEQFV-INIZCTEOSA-N 431.458 5.973 30 20 IKED Cc1ccnc2sc(C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)c(C)c12 786514058 TUSONVZLRCFMCX-SWLSCSKDSA-N 446.359 5.420 30 20 IKED CC[C@@H](NC(=O)[C@H](C#N)C(=O)c1ccc(SCc2csc(C)n2)cc1)c1ccccc1 787029769 APISHNQAQPSLPN-FGZHOGPDSA-N 449.601 5.334 30 20 IKED COc1ccc2c(c1)CN(C(=O)Nc1ccccc1O[C@H](C)C#N)[C@H](c1ccccc1)C2 787434189 RNCMLVNHNPTJLT-KOSHJBKYSA-N 427.504 5.318 30 20 IKED C[C@@H](C#N)Oc1ccc(CN[C@@H](Cc2ccccn2)c2ccc(Br)cc2)cc1 788968944 DEXRSAJCKHTMSR-SBUREZEXSA-N 436.353 5.209 30 20 IKED C=CCN(C(=O)c1ccnc(F)c1F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 791475089 IYOOLDOQMCCVBN-UHFFFAOYSA-N 426.275 5.623 30 20 IKED N#C[C@H](C(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)c1cnc2ccccc2n1 792105367 VZIXFTIQJZFCJF-BXKMTCNYSA-N 431.854 5.419 30 20 IKED CC(=O)N(c1nc(C=NN[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cs1)c1ccc(F)cc1F 794541794 SZLRWSPOKHKRDM-YFYZNPQRSA-N 432.540 5.244 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)Cn2c(COc3ccccc3)nc3ccccc32)s1 797568056 OCVJYAOLADGVRF-SFHVURJKSA-N 444.560 5.246 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 801628665 LKXFTNNPQPCUFO-APWZRJJASA-N 446.617 5.238 30 20 IKED N#CCCCn1cc(C(=O)OCc2nc3cc(Br)ccc3o2)c2ccccc21 803480175 YWOIWQOCMPIVJF-UHFFFAOYSA-N 438.281 5.206 30 20 IKED C[C@@H](C#N)Oc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cc1 809736841 LGNITSVDSWTQMS-KRWDZBQOSA-N 426.347 5.882 30 20 IKED COc1cc(/C=C2\SC(=S)N(c3c(C)cc(C)cc3Cl)C2=O)ccc1OCC#N 814297145 LKGCZBFEFGZNFD-WQRHYEAKSA-N 444.965 5.274 30 20 IKED CCOC(=O)c1ccc(C#N)c(SCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)n1 818134301 CPOQCIMLABAHNV-UHFFFAOYSA-N 445.504 5.276 30 20 IKED Nc1ccc(C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)cc1OC(F)(F)F 857499352 KBHWFOHLIJNJDN-UHFFFAOYSA-N 430.251 5.040 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc2ccc(F)cc2s1 916907370 YEPIJCRQKVRFCV-SFHVURJKSA-N 430.460 5.794 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1sccc1Br 916910279 SLLBXBSXZKAINA-AWEZNQCLSA-N 441.306 5.264 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3cccc(Cl)c3)n2)cc1Cl 916938650 CAOAVMWYHYJMDY-CQSZACIVSA-N 446.315 5.087 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 917497724 WDJHPJVMLMTEEU-UHFFFAOYSA-N 427.932 5.008 30 20 IKED N#C[C@H](C(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1nc2ccccc2o1 917510037 IJMREIFIOLVPHP-QGZVFWFLSA-N 441.537 6.220 30 20 IKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2cccc(C(C)C)c2)[n+]2ccc(C)cc2)C=C1 917614838 KLDYMSONYQWCBX-UHFFFAOYSA-O 446.596 5.500 30 20 IKED COc1cc(C#N)ccc1OC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 920019423 UXXAACAXGXLHHB-ZDUSSCGKSA-N 428.897 5.103 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCSc3ccc(Cl)cc3)n2)cc1 920139651 WQQOWZCGJMZFRL-GOSISDBHSA-N 428.966 5.831 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2cc(C)cc(C)c2)cs1 920366651 ULTIQJAQXJJKRV-UHFFFAOYSA-N 432.471 5.909 30 20 IKED Cc1nn(C)c(C)c1C(=O)/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 920832770 YDORSBAOWJHMIC-YFHOEESVSA-N 428.319 5.492 30 20 IKED Cc1ccc(S/C=C/C(=O)NC2(c3ccc(NC(=O)C(C)(C)C#N)cc3)CCC2)cc1 1785933684 VZUIBGJUVLSBTQ-DTQAZKPQSA-N 433.577 5.285 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CNc4ccccc43)CCC2)cc1 1786103867 LGHNXYWBLOPSBX-QHCPKHFHSA-N 429.564 5.098 30 20 IKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C(F)(F)F)c3)CCC2)cc1 1786374083 BJSGATVFILQQCI-MRXNPFEDSA-N 446.469 5.044 30 20 IKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccoc4s3)CCC2)cc1 1786391037 GFSWLQIUSYSYEH-GOSISDBHSA-N 428.579 5.196 30 20 IKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@]3(F)Cl)cc2)CCC1 1791672423 ILFHNYVPTXQGMQ-CVDCTZTESA-N 449.042 5.096 30 20 IKED CC(C)[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@@H](C)C#N)c2)C3)CC1 1801818090 LVSSDBQKXZYQEU-YEPLINDWSA-N 435.612 5.028 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)cc(C)c2)[C@H]1c1cccnc1 1810501640 CDDJAMTWSIZIPJ-UPVQGACJSA-N 433.596 5.010 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](c3ccccc3)[C@@H](C)CC)n[nH]2)C1 1816846990 FNWULJHCXLPSRW-KUWBRRTOSA-N 434.584 5.198 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ncccc23)n[nH]1 1818472968 BAKZWMJRFZZAHQ-QFIPXVFZSA-N 445.567 5.256 30 20 IKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)[nH]n1 1822400967 XXRPZTUPQCPZGF-IBGZPJMESA-N 445.548 5.055 30 20 IKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1 1824958726 CEULQRGMGYAICH-MZURWIMNSA-N 446.701 5.132 30 20 IKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccoc2C)CC1)c1ccccc1 1825912128 UDAPIXITZOTFPD-IZZNHLLZSA-N 446.591 5.019 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)Sc2cccs2)CC1 1832030557 QOQVLGZIATUCFE-CTNGQTDRSA-N 446.682 5.042 30 20 IKED N#Cc1ccc2c(c1)c1cc(C#N)ccc1c1c3ccc(C#N)cc3c3cc(C#N)ccc3c21 1875251701 DUVSZFURZRMZJD-UHFFFAOYSA-N 428.454 6.939 30 20 IKED Cc1ccc(C)c(NC(=O)COC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 9073503 KKQMKOQITBFDGD-UHFFFAOYSA-N 430.529 5.263 30 20 IKED N#Cc1ccc(CSc2nnc(Cc3cccs3)n2CCc2ccccc2)c(F)c1 10497588 NZYNCSBFZSVYPC-UHFFFAOYSA-N 434.565 5.476 30 20 IKED N#Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)cc1Cl 36852875 NPGGYSPEDWOEPR-UHFFFAOYSA-N 441.944 5.299 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 59799824 UGJHNGIYXIQUOD-UHFFFAOYSA-N 449.485 5.547 30 20 IKED C=CCOc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)c1 108866786 MBOBGTSAAIARTC-UHFFFAOYSA-N 441.281 5.112 30 20 IKED N#Cc1ccccc1COc1cccc(CNCc2cccc(NC(=O)C3CCC3)c2)c1 238141802 WQYGBIUQIZWRMX-UHFFFAOYSA-N 425.532 5.166 30 20 IKED COc1cc(C=Nn2c(-c3ccccc3F)n[nH]c2=S)ccc1OCc1ccccc1 263590454 HWABTFZEKLXVQE-UHFFFAOYSA-N 434.496 5.217 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H]2CCOc3c(Cl)cccc32)cc1OC 302962957 FBAMIHRBHCTBOF-QGZVFWFLSA-N 438.749 5.289 30 20 IKED C[C@H]1C[C@@H](C)CN(CCCCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 303022784 PEKKGQDHZYRXFX-OYRHEFFESA-N 435.637 5.338 30 20 IKED N#CCCn1ncc(C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)c1-c1ccccc1 428721424 DLYWZHBQNIFUDI-LJQANCHMSA-N 425.319 5.188 30 20 IKED CCCc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccc(C)cc1 429113110 JQSRQPUXZTYPGO-QGZVFWFLSA-N 433.462 5.368 30 20 IKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)c12 430622052 DZJMTIDNVYHRIM-QGZVFWFLSA-N 429.549 5.188 30 20 IKED O=C(NC[C@H]1CCC(F)(F)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 431093118 HWCCLMATDIRORG-KCEHJNCXSA-N 447.410 5.660 30 20 IKED N#CCCC[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1 432671652 SBGBYTBOKSLZOT-SANMLTNESA-N 438.531 5.888 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC(C)(C)[C@@H]1c1cccnc1 432846127 MPBGCBRKFFEONL-DEOSSOPVSA-N 426.520 5.456 30 20 IKED O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)N[C@H](CC(F)(F)F)c1ccc(F)cc1 433618342 RWFZOUACWDXZQZ-CABCVRRESA-N 426.307 5.403 30 20 IKED CN(C)C(=O)Nc1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(Cl)c1 435013444 YFKUEKGECNHTCQ-UHFFFAOYSA-N 434.883 5.350 30 20 IKED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 436357209 HDARNLPWHUGGFK-UZLBHIALSA-N 447.457 5.060 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)Nc3cccc(CC(F)(F)F)c3)c2)cc1 437763378 WRHOBMFSJQDZFE-UHFFFAOYSA-N 439.437 6.080 30 20 IKED Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 437885775 AUMNYUCWBRZJGS-HHHXNRCGSA-N 439.559 6.399 30 20 IKED CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)Nc1ccccc1SC[C@@H](C)C#N 438076148 SSPHRNWGBBJQJX-UNMCSNQZSA-N 436.625 5.314 30 20 IKED CCN([C@H](c1ccc(C(C)C)cc1)c1cccnc1)S(=O)(=O)c1ccc(F)cc1C#N 443344062 HQZJHNJWIOVYAY-XMMPIXPASA-N 437.540 5.016 30 20 IKED C=CCn1c(SCc2nc(C3CCCC3)no2)nnc1-c1ccc(Br)cc1 443431988 SIGQKYVGRKSDKP-UHFFFAOYSA-N 446.374 5.227 30 20 IKED C=CC[C@H]1N(C(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)CCCC1(C)C 444898560 OSNXRASLAYLKFZ-JOCHJYFZSA-N 426.582 5.259 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 447034465 RRUPSSHVWQOZRB-HXOBKFHXSA-N 447.535 5.064 30 20 IKED CC(C)(C#N)CC(=O)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2Cl)cs1 447126881 FKQGUIKNXUVYJF-UHFFFAOYSA-N 427.932 6.076 30 20 IKED CC(C)Cn1cc(Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c(C(F)F)n1 447674025 YJXOVDBGASFLKM-UHFFFAOYSA-N 429.296 5.178 30 20 IKED C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCc2cc(Cl)c(Cl)cc2[C@@H]1C 460950168 PBBRUIFXVWSZNW-GJZGRUSLSA-N 439.387 5.009 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cc1 464919682 AVCZQUSBIBWWCY-UHFFFAOYSA-N 436.515 5.555 30 20 IKED COCC[C@H]1CCCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 467389407 KGCOSISTTZYUFN-GOSISDBHSA-N 441.959 5.461 30 20 IKED CC(C)(NC(=O)Nc1cc(F)ccc1OCC(F)(F)F)c1nc(C(F)(F)F)cs1 467583702 KDTLGKUKLSBSNK-UHFFFAOYSA-N 445.360 5.299 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@@H]3CCCSc4ccc(Cl)cc43)ccc21 469260933 SSQPRRJKRCSFEV-HXUWFJFHSA-N 425.985 5.962 30 20 IKED C[C@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccc(-c2ccncc2)cc1 469992477 POYOHQULIGZAGC-FQEVSTJZSA-N 433.511 5.690 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(N2C(=O)CCCC2=O)c1 473639642 GMHNRKCIBKSJFQ-UHFFFAOYSA-N 441.512 5.005 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 475546708 FCPUZUCHJDWJMC-UHFFFAOYSA-N 425.960 5.068 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(F)c(Br)cc1Cl 475774033 RJRAIHNBBUBUDE-SNVBAGLBSA-N 427.726 5.888 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1c(Cl)cccc1I 476093072 XCLGTGHFUXQSTK-UHFFFAOYSA-N 439.724 6.049 30 20 IKED N#CC1(N(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccccc2)C2CC2)CCC1 477452810 PWSKHJZCQYPIEX-UHFFFAOYSA-N 447.542 5.197 30 20 IKED C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(Br)cn1 477789158 HIXMZCQQILEUPC-CQSZACIVSA-N 438.350 5.358 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2csc(-c3ccco3)n2)cc1F 478714324 FHSPTFZVRSSXOY-UHFFFAOYSA-N 434.452 5.528 30 20 IKED CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(C#N)cc1Br 480703832 PQAZAYVTTDDKNY-UHFFFAOYSA-N 441.156 5.088 30 20 IKED C=C(C)[C@H](NCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)c1ccc(F)c(F)c1 481598552 VRTDQWKSOSTTFN-QFIPXVFZSA-N 441.503 5.124 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCCc3nc4ccccc4s3)cc2F)c1 481715401 XKVYWHXXPAGITP-UHFFFAOYSA-N 446.507 5.250 30 20 IKED N#Cc1ccc(OC2CCN([C@H](c3ccccc3)c3nc(-c4ccccc4)no3)CC2)cc1 481768127 PRFJWQPZVMFZDP-RUZDIDTESA-N 436.515 5.241 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(-c2cncnc2)cc1F 481865018 GWUGEZKYXVHYAR-UHFFFAOYSA-N 446.429 5.560 30 20 IKED C[C@H](O)[C@](C)(CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)Cc1ccccc1 482191709 HVRYCTPDJWQJAW-DCFHFQCYSA-N 444.600 5.210 30 20 IKED N#CC[C@@H](CC(=O)N(c1cccc(Cl)c1)c1nc2ccccc2s1)c1ccccc1 483059437 LUZJANKJZAQAGB-SFHVURJKSA-N 431.948 6.702 30 20 IKED C[C@@H](CC#N)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 484794999 FUSRQXXRDICAQA-XIGQLOAZSA-N 426.476 5.052 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCc3ccc(Br)cc32)cc1C 488123050 WMFRZFYQRVYQCT-UHFFFAOYSA-N 449.352 5.046 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)c1nc(-c2cccs2)no1 489679420 YFJJWCPRCWHAHF-HNNXBMFYSA-N 439.566 5.316 30 20 IKED C[C@H](Nc1ccc(Oc2ccccc2Br)c(Cl)c1)C(=O)N(C)CCC#N 495469305 FBUDBTCWGXBDEH-ZDUSSCGKSA-N 436.737 5.067 30 20 IKED C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(OC2CCCCC2)CC1 497416652 KAWFGYNIEGIFRR-KRWDZBQOSA-N 429.630 5.029 30 20 IKED N#Cc1ccc(C(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1 499047593 IAQQTLKDLPFQQP-LBPRGKRZSA-N 430.226 5.222 30 20 IKED N#Cc1ccc(CN(C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)C2CC2)cc1 499319413 LRIDGAMTJLPMAU-UHFFFAOYSA-N 442.371 5.722 30 20 IKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2ccccc2Oc2ccccc2)CC1 501095121 FOGCPVLAMXATAT-UHFFFAOYSA-N 449.514 5.253 30 20 IKED N#CCSc1cccc(C(=O)N2CCCCC[C@@H]2c2noc(-c3ccc(F)cc3)n2)c1 501810325 ZEKTZZBQVPHMLS-HXUWFJFHSA-N 436.512 5.249 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)n2)c1 502449286 CYGFGXWEICDPNU-UHFFFAOYSA-N 436.443 5.186 30 20 IKED Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)[C@H]1CCC[C@@H](C)C1 503297539 GCVDXWUKFSRBKK-FZOAFFARSA-N 447.579 5.300 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(Cc4cccc(F)c4)n3)n2)cc1 505716929 NVQOPBZLFZKWCK-GOSISDBHSA-N 449.532 5.495 30 20 IKED CCn1c([C@H]2CCCN2C(=O)c2ccc(COc3ccccc3C#N)o2)nc2ccccc21 506156483 RBRDLTYEOURROA-JOCHJYFZSA-N 440.503 5.077 30 20 IKED O=C(CN[C@H](c1c(F)cccc1F)C(F)(F)F)Nc1c(Cl)cccc1C(F)(F)F 506277988 XEFMTILGNXNZFQ-OAHLLOKOSA-N 446.725 5.469 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(OC4CCCC4)CC3)cc2Cl)cc1 506650938 GILUISZRHSQVAE-UHFFFAOYSA-N 439.943 5.959 30 20 IKED C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N(C)Cc1cnc(C)s1 508955141 CZZBMHCQVLVVKZ-UHFFFAOYSA-N 431.565 5.111 30 20 IKED CCN(CC)C(=O)c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 511553860 LCTPXXDDVPFQAW-HSZRJFAPSA-N 445.950 5.730 30 20 IKED CCN(C)C(=O)c1cccc(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 511722747 NRXVEPRRHNDWLZ-DHMAKMBKSA-N 447.604 5.193 30 20 IKED C[C@@H](Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)C(=O)NC1(C#N)CCCCC1 512216776 ZBFXEWXGNQQIRI-OAHLLOKOSA-N 432.446 5.036 30 20 IKED Cc1cccc(OCCCCC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 512798767 YPZWLSVMQUTYRI-UHFFFAOYSA-N 438.578 5.198 30 20 IKED COC(=O)c1ccoc1CSc1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2s1 513672219 PQCAKJULHFCTMF-INIZCTEOSA-N 448.525 5.458 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3occc3CSc3ccccc3)c2)c1 514500783 VMRJLWFCPFSBBM-UHFFFAOYSA-N 440.524 6.275 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(OCc3ccncc3)cc2)cc1 518020917 XEUTYLWBSGJJFY-UHFFFAOYSA-N 439.446 5.716 30 20 IKED C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 518149104 DFEDNDPVKNMFNI-UHFFFAOYSA-N 427.529 5.117 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCCC[C@H]3c3cc4ccccc4[nH]3)cc2)cc1 518165564 MZQAUGZRBBTCGG-SANMLTNESA-N 436.515 6.591 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 518207660 RVFFCQHAMLEMIV-LJQANCHMSA-N 447.753 5.373 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)CC1 518392509 LXKYFCGBWNBXDL-UHFFFAOYSA-N 449.938 5.306 30 20 IKED CCCCCn1nc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccccc2c1=O 519433025 MPSSOGNYYCFJLP-KRWDZBQOSA-N 434.565 5.091 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F 520049527 VCNDZMWJBLWAKZ-UHFFFAOYSA-N 425.410 6.033 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)cc2)cc1 521087071 LQIREBUFVIYNAQ-QFIPXVFZSA-N 439.515 5.036 30 20 IKED Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 521088557 YYSDXJARUMSGIW-UHFFFAOYSA-N 427.504 5.700 30 20 IKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C 521231939 WLLCONGWIMNLEP-OAQYLSRUSA-N 427.548 6.449 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3cccc(-n4nccc4-c4ccccc4)c3)CC2)c1 521513534 AYEVWIAAHAJHHJ-UHFFFAOYSA-N 448.526 5.095 30 20 IKED Cn1ccnc1[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(F)cc1 521810322 MGEUFFGSANBOAE-HSZRJFAPSA-N 441.466 5.134 30 20 IKED CCCOc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 522324679 ZDBWMMPACORGSW-UHFFFAOYSA-N 431.511 5.398 30 20 IKED CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2occc2COc2cccc(C#N)c2)c1 522520853 JCFXNFVELCLLKD-WJOKGBTCSA-N 436.533 5.030 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2Cl)c1 524390742 ADPMXQUHMJBLGL-UHFFFAOYSA-N 437.735 6.411 30 20 IKED Cc1nc(-c2ccc([C@H](C)NC(=O)Nc3cc(C#N)ccc3OC(F)F)cc2)cs1 524435468 WXCJIEYZQQGXTG-LBPRGKRZSA-N 428.464 5.474 30 20 IKED Cc1ccc(C#N)cc1NC(=O)NC1(c2ccc(OCc3ccccc3)cc2)CCOCC1 530603670 CWQQUMQPZBAJHV-UHFFFAOYSA-N 441.531 5.273 30 20 IKED C=CCn1c(SCC(=O)Nc2cncc3ccccc23)nnc1-c1ccc(Cl)cc1 534016086 CSYGKVWFSOIWTB-UHFFFAOYSA-N 435.940 5.064 30 20 IKED CC(C)CCOC1CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 534175406 HMSVWMJONKLIJO-UHFFFAOYSA-N 426.944 5.671 30 20 IKED C=CCN(C(=O)c1cccc([C@@H]2CCOC2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 536427736 ZFMMSRRKLQYPJE-LJQANCHMSA-N 435.505 5.055 30 20 IKED CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H](c1cccnc1)c1csc2ccccc12 538523382 VBYMGBASRDKEEN-RUZDIDTESA-N 437.568 6.103 30 20 IKED CCN(CC)C(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 542928812 VDNDWXFQPXNIJE-IBGZPJMESA-N 425.532 5.198 30 20 IKED COc1cc(C#N)ccc1NC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 545297723 BFFIGUXBBXURQE-ZDUSSCGKSA-N 427.913 5.136 30 20 IKED N#Cc1ccccc1COc1cccc(-c2nc(-c3cccc(Cn4ccnc4)c3)no2)c1 546283609 BCYYAXDUUJNRLO-UHFFFAOYSA-N 433.471 5.099 30 20 IKED C[C@@H](Oc1ccc2ccccc2c1)c1nnc(N2CCC(C#N)CC2)n1Cc1ccccc1 549128643 JJFSPMGURUPYIH-HXUWFJFHSA-N 437.547 5.360 30 20 IKED Cc1ccccc1C1(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 549242641 WSVKTDWNHGZTLU-UHFFFAOYSA-N 425.532 5.493 30 20 IKED CC(=O)Nc1cc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)ccc1Cl 552863687 DJJLINBTUONLGD-UHFFFAOYSA-N 445.350 5.069 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2nc(C3CCOCC3)cs2)cc1Cl 553645288 KVUFDURCKSIDDV-UHFFFAOYSA-N 439.924 5.607 30 20 IKED CN(CCOCc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 558191254 ANFCECFWOQBOTF-UHFFFAOYSA-N 426.476 5.047 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1 561213902 IHCXCCNUKCNODY-QHCPKHFHSA-N 443.515 5.488 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 562168526 NYKHDHATHFISKX-MAODMQOUSA-N 425.554 5.407 30 20 IKED COc1ccc(-c2ncc(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)s2)cc1 562912314 UIXBUEGVXDMKRS-UHFFFAOYSA-N 428.473 5.130 30 20 IKED C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(C)(C#N)CC2)n1CCc1ccccc1 564671145 QMGGKMAJFVKYMX-LJQANCHMSA-N 449.986 5.444 30 20 IKED N#Cc1ccc(CN[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c(OC(F)F)c1 573512451 VWHMXURPEKIMTD-FQEVSTJZSA-N 440.412 5.436 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)cc1C 576910547 UUFPPGSHOJBXOM-IBGZPJMESA-N 439.519 5.227 30 20 IKED CCc1ccc([C@H](C#N)NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)cc1 578798319 WOXFUHZZIXKCLM-SFHVURJKSA-N 432.833 5.102 30 20 IKED CC(C)OC(=O)C[C@@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1 579990974 YUXQWDLSRQPUNH-YLJYHZDGSA-N 425.554 5.143 30 20 IKED N#Cc1cnc2c(F)c(F)c(F)cc2c1N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 587425129 DBCPSTWSDSHGKP-DTORHVGOSA-N 427.270 5.091 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 603649189 OGRJBBXSLLXPRC-UHFFFAOYSA-N 430.455 5.288 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2c(C)nc3ccccc3c2C)cc1 604568901 VPBMSTKTURQREB-UHFFFAOYSA-N 437.499 5.705 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCCCOc2cccc(C#N)c2)cc1 609503309 NFUYFCZGDHEFLF-UHFFFAOYSA-N 441.487 5.419 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 609968100 FRCAXUPDUCYEDR-OAHLLOKOSA-N 439.437 6.205 30 20 IKED C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](C#N)c1ccc(Br)cc1 609986304 IIYDZOULWUGMKK-YVEFUNNKSA-N 425.248 5.028 30 20 IKED C[C@@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@H](c2ccc(F)cc2)O1 610204999 DNYLJBWTASBSJC-VOIUYBSRSA-N 434.442 5.231 30 20 IKED CC(C)Oc1cc(CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C2CC2)ccn1 611041705 SMVSJUYQZOCCKK-UHFFFAOYSA-N 443.507 5.124 30 20 IKED N#Cc1cc(Cl)c(C(=O)NCCc2ccc(OCc3ccccc3)cc2)c(Cl)c1 611096140 TUBJPLWZYLQJBC-UHFFFAOYSA-N 425.315 5.417 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H](C[C@H]2CCOC2)C1 611357756 SZOBVKBRCWCRKX-FYYLOGMGSA-N 433.552 5.116 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)s2)cc1 613315644 WLCOPOPMSHZZJB-LJQANCHMSA-N 445.569 6.049 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613405331 YKUCLFSIGIISQD-LJQANCHMSA-N 447.441 6.344 30 20 IKED C=CCN(Cc1cccs1)C(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 620685882 ITQUMKNTMSVEPZ-UHFFFAOYSA-N 447.354 5.214 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)c2cc(C)sc2C)nnc1-c1ccc(Cl)cc1 642147743 USYSAUKMFCNHJU-AWEZNQCLSA-N 447.029 5.432 30 20 IKED CCOc1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)ccc1OCCOc1ccccc1 642282208 UYEKKSYTUKQLJX-FQEVSTJZSA-N 442.471 5.174 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1cccc(C)c1 645079394 SYZWDKXPQCLHTR-INIZCTEOSA-N 442.972 5.124 30 20 IKED FC(F)Oc1ccc(CN2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1Br 678838119 BZEYYADWAPYRGK-RKDXNWHRSA-N 442.144 5.223 30 20 IKED C=CCN(C(=O)Cc1c[nH]c2cc(C)ccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 726137159 FIBQGZDOHFYDSL-UHFFFAOYSA-N 432.505 5.270 30 20 IKED N#C[C@@H](C(=O)CCc1ccc(Cl)c(Cl)c1)c1nc(O)c2c3c(sc2n1)CCCC3 726317714 CSGGAWVJNCALPA-ZDUSSCGKSA-N 446.359 5.392 30 20 IKED C#CCOc1ccc(/C=C2/SC(=S)N([C@H](C)c3cccs3)C2=O)cc1OCC 726629996 RHISYQNRAPLLAB-NFECSFHCSA-N 429.588 5.121 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1sc2nc(C(F)(F)F)ccc2c1C 726754952 WKVAMUBQCUCHDB-UHFFFAOYSA-N 440.450 5.373 30 20 IKED CCN(C[C@H](C)C#N)Cn1nc(-c2ccccc2Cl)n(-c2ccc(OC)cc2)c1=S 726964008 QXMGKQZPCXMSFC-MRXNPFEDSA-N 441.988 5.171 30 20 IKED Cc1ccc(F)c(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 727978945 PXUXVDVCMYDQKS-UHFFFAOYSA-N 425.916 6.047 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)c1sc2cc(Br)ccc2c1Cl 730936599 JIOIHRHCVJFNKC-UHFFFAOYSA-N 436.762 5.998 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(c2ccc(F)cc2)CCCC1 731062578 IXGCLPJECNIUGA-QGZVFWFLSA-N 440.540 5.214 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccoc3COc3ccc(C=O)cc3)cc2)cc1 731619647 TTZMQKIBUIJDKT-UHFFFAOYSA-N 438.439 5.587 30 20 IKED COc1ccc(CN(C(=O)CSc2ccc(C#N)cc2)c2ccc3nc(C)[nH]c3c2)cc1 731992274 HTFJMDSFSWHQEE-UHFFFAOYSA-N 442.544 5.077 30 20 IKED C[C@@H](CSc1ccccc1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 732494697 KNLBIOSLBDVWEM-GHTZIAJQSA-N 430.529 5.555 30 20 IKED Fc1ccc(C(F)(F)F)cc1C=Nn1c(S)nnc1-c1cccc(Br)c1 733201794 PGARZKMYIMOTAE-UHFFFAOYSA-N 445.239 5.036 30 20 IKED N#CCOc1ccc(COC(=O)c2ccccc2C(=O)c2ccc(Cl)c(Cl)c2)cc1 733487735 XFPZESSBEZBWCU-UHFFFAOYSA-N 440.282 5.484 30 20 IKED C=CC[C@@H](NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccncc1 734361618 VAHFMRFPXKGNIF-JOCHJYFZSA-N 425.488 5.056 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)C3CCOCC3)cc2)cc1 734650820 HZHGWGJRIMPVML-VWLOTQADSA-N 427.504 5.640 30 20 IKED C=CC[C@H](NC(=O)NC[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12)c1ccncc1 734652313 KYLOBCBVNYSWEO-NOZRDPDXSA-N 440.547 5.320 30 20 IKED C#CCN(C(=O)NC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1)C1CCCCC1 735585870 JHUKVEUDQSZDGH-KNQAVFIVSA-N 435.534 5.066 30 20 IKED CSCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1 735970127 VMOWFFGDCLDHDZ-HXUWFJFHSA-N 441.622 5.017 30 20 IKED C=CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 735991590 ZTUREMUNGGRSLM-UHFFFAOYSA-N 444.856 5.113 30 20 IKED N#Cc1ccc(-c2cccc(CNc3cc(C(F)(F)F)nc(-c4cccnc4)n3)c2)s1 739890508 PULZOKHTPVTGHA-UHFFFAOYSA-N 437.450 5.770 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1 744766014 JHJHXRWSZKBOAD-RUZDIDTESA-N 444.579 5.035 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)/C=C/c1cnc(C(C)(C)C)s1 745676892 JTXBZYNNBKUNSZ-BOLDSZDNSA-N 443.594 5.030 30 20 IKED Cc1ccccc1-c1noc([C@H](C)OC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)n1 746077375 UAAFYGBHTBUPLS-INIZCTEOSA-N 426.432 5.022 30 20 IKED N#C[C@H](C(=O)CCCc1ccc2c(c1)-c1ccccc1C2)C(=O)Nc1ccccc1Cl 747562777 WZFUJTDUUFDVPU-JOCHJYFZSA-N 428.919 5.581 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCCCC[C@@H]3C[C@H](O)c3ccco3)cc2)cc1 752102102 QOEHNWMBKQRRDI-RDGATRHJSA-N 444.531 5.646 30 20 IKED CC(C)Cc1ccc(CCC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 752472873 AJVLWTUISPBMGO-IBGZPJMESA-N 433.577 5.283 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)cc1F 758620771 RAGGFRKWBAEYML-ICSRJNTNSA-N 435.455 5.203 30 20 IKED COC(=O)C1C/C(=C/c2nccc3ccccc23)C(=O)/C(=C/c2nccc3ccccc23)C1 761484884 BVESIIWRQPXTPS-ARHRGINZSA-N 434.495 5.402 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)n(Cc3ccncc3)c2C)cc1 762994511 LDVFCSHUWRYYOK-MZNJEOGPSA-N 428.536 5.023 30 20 IKED CCn1c(COc2ccc(C)cc2)nn(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1=S 765046339 BNJWMWALAKFPSB-DHIUTWEWSA-N 447.608 5.051 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2c(C)cccc2F)cs1 769828322 RHZOVCXQGOEDIG-UHFFFAOYSA-N 436.434 5.740 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Cc3cccc(OCc4cccnc4)c3)c2)s1 770737480 JRPQXXTXQGHBGZ-UHFFFAOYSA-N 439.540 5.120 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3C[C@@H](O)c3ccc(F)cc3)cc2)cc1 773265166 LDWLENZBUITQNL-RCZVLFRGSA-N 445.494 5.610 30 20 IKED Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 773630678 YZBAOYVGJWGKGY-AREMUKBSSA-N 435.483 5.388 30 20 IKED CC(C)(c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1)C(F)(F)F 774051123 IALMAEMHDAZLTD-AWEZNQCLSA-N 443.252 5.794 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1 779493962 LHDCFFVBTBKCQD-UHFFFAOYSA-N 436.556 5.273 30 20 IKED O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(N2CCNC2=O)cc1 782371006 WJRFMYARUDQWBE-JYRVWZFOSA-N 445.906 5.018 30 20 IKED C[C@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2cccc(C#N)c2)cc1 782778257 PIEGVIJIXZMTSM-VQTJNVASSA-N 429.539 5.613 30 20 IKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccsc2)=C(/O)c2ccc(C#N)cc2)cc1 790116618 DUQONRYEQYCUAE-UHFFFAOYSA-O 434.610 6.134 30 20 IKED CCc1ccc([C@@H]2CN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CCO2)cc1 792229559 SANAEAVVTXSJHQ-UIOOFZCWSA-N 425.532 5.510 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)s1 797570887 KJLMGAXUWGDUNL-WIYYLYMNSA-N 445.588 5.322 30 20 IKED Cc1nn(C(C)C)cc1/C=C1/CC2(CCOCC2)C/C(=C/c2cn(C(C)C)nc2C)C1=O 798370874 ZWHBXVAUMILCKB-IINORCHSSA-N 436.600 5.485 30 20 IKED CC(C)(C)OC(=O)Nc1ncc(CNCc2cccc(-c3ccc(C#N)s3)c2)s1 800241052 CJBWMOPFMZWNDB-UHFFFAOYSA-N 426.567 5.380 30 20 IKED O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1ccc(Cl)nc1C(F)(F)F 800356812 XXZWMKNTJMOBMQ-UHFFFAOYSA-N 430.707 5.476 30 20 IKED CC(=O)Nc1cccc(N=c2scc(-c3ccncc3Cl)n2CC2(CC#N)CC2)c1 803177352 DUJLOVWSGPKCOB-UHFFFAOYSA-N 437.956 5.150 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1 805856175 SFEUZQBMAIHJNX-QGZVFWFLSA-N 449.297 5.293 30 20 IKED C[C@@H](OC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1nc(C2CC2)cs1 805913739 OSHNFQBLHYHZSY-CQSZACIVSA-N 429.973 5.456 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H](N[C@H]1CCc3ccc(C#N)cc31)CC(C)(C)O2 810258551 XJINRLWGLAVPJK-VXKWHMMOSA-N 433.552 5.785 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc2n(C(C)C)c3ccccc3n12 854406828 JGHIRKSTPDTTOY-MRXNPFEDSA-N 439.610 5.022 30 20 IKED Cc1sc2ncn(N=Cc3ccc(-c4cccc(Br)c4)s3)c(=O)c2c1C 914599590 JICQUKFXRMTITN-UHFFFAOYSA-N 444.379 5.448 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(N3CCOC3=O)cc2)cc1Cl 916057460 QWUWQLRJDHIVJI-OAQYLSRUSA-N 431.879 5.204 30 20 IKED N#C[C@H](C(=O)/C=C/c1ccc(Br)o1)c1nc(-c2ccc(Cl)cc2)cs1 916628491 UWQIXMFYNKDQSL-HZRUHFOJSA-N 433.714 5.709 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc2cccc(Cl)c2c1Cl 916906696 JCGUTAJJAMJKOH-AWEZNQCLSA-N 445.371 6.294 30 20 IKED C[C@H](SCc1ccccc1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916909191 PAADBOWLCSYXKZ-RXVVDRJESA-N 430.529 5.448 30 20 IKED N#Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 917644384 CPHYDMPZJMUULL-YBFXNURJSA-N 433.470 5.132 30 20 IKED N#C[C@@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)c1nc2ccccc2o1 920112563 AGZICPRBXLISCJ-FQEVSTJZSA-N 441.437 6.063 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCCn3ccnc3C)CCC2)cc1 1785842106 KVDRURCZCKUJSK-UHFFFAOYSA-N 436.600 5.098 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(Cl)cncc3Cl)CCC2)cc1 1791243701 BPTYUFQCGNVXPZ-AWEZNQCLSA-N 432.351 5.348 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ncccc3SCC)CCC2)cc1 1791730792 WHGULXLFYXAYSO-UHFFFAOYSA-N 435.593 5.135 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)c(Cl)cc3F)CCC2)cc1 1792266411 VHHDOZIWSKZUJT-UHFFFAOYSA-N 433.310 5.294 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2cccc(C)c2)[C@@H]1c1cccnc1 1802490308 DRRWKFRKJQYUOX-AOYPEHQESA-N 447.623 5.021 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cc(Cl)ccc3F)C2)CC1 1805138330 ORLDFJWKHYEENV-UHFFFAOYSA-N 434.983 5.316 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CC2CCCC2)n[nH]1 1816685648 PZSOZAMTNREIPC-NRFANRHFSA-N 442.680 5.033 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3cnccc3c2)n[nH]1 1818644472 HEVUCPSDVMHTEW-QFIPXVFZSA-N 445.567 5.256 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C(C)=C/c2ccc(C)o2)[nH]n1 1819307569 WMCVDJUVWPCARA-LPKPBQMMSA-N 436.556 5.175 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](C)c2cccs2)[nH]n1 1819557048 UVJJRXNLILNQFU-FUHWJXTLSA-N 428.602 5.259 30 20 IKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)cc2C)n[nH]1 1821339714 UWZFCVWVFGEGJD-LJQANCHMSA-N 447.366 5.134 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3CC[C@H](C)CC3)n[nH]2)c1 1822945893 VTRXPOKTABFBJO-KEXUJGGDSA-N 447.583 5.169 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc4ccoc34)sc2C1 1824257493 IMBXWHBUYRNPPM-INIZCTEOSA-N 437.565 5.108 30 20 IKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 1824541558 FMRANMKKCMQIEF-XXTHSBEZSA-N 436.706 5.023 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)noc2C)CC1 1825766458 MQKGYHAQJQAARX-XXBNENTESA-N 449.595 5.096 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3[nH]ccc3s2)CC1 1828334141 ANYJDMJIOABXIC-HXUWFJFHSA-N 441.641 5.455 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCn2cccc2)CC1 1828826809 MLSYZQWWGKEMGX-LOSJGSFVSA-N 439.644 5.047 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 1831375440 WLNXIAYADIARLS-UWJYYQICSA-N 436.518 5.151 30 20 IKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)Oc2ccc3ccccc3c2)CC1 1831859229 ISAXPBJOUPKPKL-VWLOTQADSA-N 448.607 5.193 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(OC(F)F)cc2)c1 10172816 OUBMTSADWJHNQF-UHFFFAOYSA-O 449.449 5.213 30 20 IKED COc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccc(OC)cc2)cc1 10247417 PMWZFKSNHUXCCJ-UHFFFAOYSA-N 428.517 5.115 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2ccc(F)c(Cl)c2)c1 10757417 IVPWIECDOSIZPK-UHFFFAOYSA-O 440.372 5.841 30 20 IKED C[C@H](OC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc(C#N)c(Cl)c1 16458588 QVZUKPJWKLFOEL-NSHDSACASA-N 446.315 5.173 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)c2c(F)cccc2Cl)n(C2CCCCC2)c1C 16579847 MJNHVMAKJHEEPN-UHFFFAOYSA-N 431.895 5.070 30 20 IKED C=CCOc1ccc(C(=O)OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1OC 16702492 ZIWQAQXCVCIYCT-UHFFFAOYSA-N 444.698 5.016 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)Nc1cc(C)ccc1C 22729667 SELHMSYQDMIQMY-UHFFFAOYSA-O 431.625 6.130 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)nnc1-c1ccc(Cl)cc1 36627086 FGCGDJPAOLKUGB-SJORKVTESA-N 441.000 5.185 30 20 IKED N#Cc1cccc(COc2cccc(CN[C@H](C(=O)Nc3ccccc3)c3ccccc3)c2)c1 62421970 OCELFDMJAKKZPM-NDEPHWFRSA-N 447.538 5.607 30 20 IKED CN(CCOc1ccc(Cl)cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 71941220 HPRJVVREYDMDLA-UHFFFAOYSA-N 449.938 5.528 30 20 IKED C=CCOc1c(Br)cc(CN[C@](C)(CC)c2nccs2)cc1OCC 237028675 STZZQRFLYGIZMA-LJQANCHMSA-N 425.392 5.284 30 20 IKED C[C@@H]1CCCCN1Cc1ccc(CNCc2cn(CCC#N)nc2-c2ccccc2)cc1 237353490 QDDHZOOKZPSNCW-JOCHJYFZSA-N 427.596 5.128 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1Cl 302995923 YJLVTLDMDYTVCS-VWNXMTODSA-N 446.934 5.806 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1csc(Cc2ccc(F)cc2)n1 303310400 QTOMVXKOMKFXBD-HNNXBMFYSA-N 425.554 5.306 30 20 IKED Cc1ccc(COc2ccc(/C=C/C(=O)c3ccc(N4CCC(O)CC4)cc3)cc2)cc1 303650708 UCEVPHGTBXSHRB-OVCLIPMQSA-N 427.544 5.431 30 20 IKED Cc1cccc([C@@H]2CCCN2C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1C 303841516 DBVSMGZJHQFQAA-QFIPXVFZSA-N 444.535 5.003 30 20 IKED C[C@H](Sc1nnc(-c2cccc3ccccc23)o1)C(=O)N(CCC#N)c1ccccc1 303943320 XQXZAYUOFUVAFM-KRWDZBQOSA-N 428.517 5.317 30 20 IKED CC(C)c1ccc([C@@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C(C)C)cc1 409470084 OCXTUYRSQIXCKH-VWLOTQADSA-N 446.595 5.439 30 20 IKED COc1cc(-c2nnc(S[C@H]3CC[C@@H](C#N)C3)n2C2CCCCC2)cc(OC)c1OC 430136986 VCHFNYZIMIUABU-QAPCUYQASA-N 442.585 5.260 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)c2c(F)cccc2OC)cc1 438173138 BPNJQBGJAGPJCU-OAHLLOKOSA-N 435.455 5.390 30 20 IKED N#Cc1cc(NC(=O)NCc2cccc(CO)c2)ccc1Oc1ccc(C(F)(F)F)cc1 438517088 TUUCHGNMVXTUNC-UHFFFAOYSA-N 441.409 5.183 30 20 IKED N#CCC[C@H](NC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccccc1 438854873 XTMPSZGGNPRDCR-NRFANRHFSA-N 445.485 5.098 30 20 IKED C[C@@H](Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1)c1ccc(C#N)cc1 439605786 BONAZQNQHURPEQ-MRXNPFEDSA-N 434.337 5.424 30 20 IKED COc1ccc(-c2cc(NC(=O)NCC3CCC(C#N)CC3)ccc2OC(F)F)cc1 441305912 AZWVXZGUAGFWLR-UHFFFAOYSA-N 429.467 5.415 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CNCC2CCC(C#N)CC2)cs1 441383838 XIYTZOIKJZWOTD-UHFFFAOYSA-N 436.503 5.266 30 20 IKED Cc1nc(CSc2ccccc2C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cs1 441536726 VJMSCDBEZKMFGU-UHFFFAOYSA-N 449.479 5.766 30 20 IKED Cc1ccc(-n2nc(C)c(NC(=O)CNc3ccccc3S[C@@H](C)CC#N)c2C)cc1 444401193 WBMOIPIOSUROLY-KRWDZBQOSA-N 433.581 5.242 30 20 IKED N#CCCCOc1cccc(NC(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c1 444858415 MPOULELLJOBSNK-QGZVFWFLSA-N 429.801 5.587 30 20 IKED CCc1ccc(Cl)c(CC)c1NC(=O)CCCN1CCC[C@@]2(CCCCO2)[C@H]1C#N 447925212 YFPSJAROYRXCHF-QPPBQGQZSA-N 432.008 5.111 30 20 IKED COCCCn1c(Sc2nc(C)c(C#N)cc2Cl)nnc1-c1ccccc1Cl 461723458 AXCQMCGHBGHDLK-UHFFFAOYSA-N 434.352 5.015 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c1 462918508 IKMLTTBSUFOIDC-YADARESESA-N 432.907 5.654 30 20 IKED Cc1nn(C)c(Sc2ccccc2)c1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 464500749 CFCAGOFQYVBXHV-OAHLLOKOSA-N 438.965 5.633 30 20 IKED CC(C)(C)Cc1nc(-c2cccc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c2)no1 464940911 MMEPQZYDVDNTTJ-FGZHOGPDSA-N 428.536 5.237 30 20 IKED Cc1sc(NC(=O)c2ccc(C(C)(C)C#N)cc2)nc1-c1ccc2c(c1)CCC(=O)N2 466612227 UEIACXZGBJIWJE-UHFFFAOYSA-N 430.533 5.057 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@H](c4c(F)cccc4F)C3)c2)cc1 469447544 DANLFTAIPVFKKD-FQEVSTJZSA-N 447.485 5.631 30 20 IKED N#Cc1cnc(N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c(Cl)c1 469565072 JDHUUXZOGDZXJV-OAHLLOKOSA-N 435.755 5.222 30 20 IKED C[C@@H]1C[C@H]1c1ccc(CN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C2CC2)o1 470558281 DYKPSGSKOZJZEG-VGOFRKELSA-N 446.551 5.182 30 20 IKED Cc1cccc(NS(=O)(=O)c2cc(NC(=O)C[C@H](CC#N)c3ccccc3)ccc2C)c1 474193027 CKNHLNPMVKTNRZ-NRFANRHFSA-N 447.560 5.130 30 20 IKED Cn1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c(-c2ccc(Cl)s2)n1 474961658 HGTRDXAUWZVUTH-SNVBAGLBSA-N 431.855 5.037 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccc(NC(=O)c2ccccc2)c1 475567721 MEAUHBGBAOBCMY-UHFFFAOYSA-N 427.548 6.113 30 20 IKED CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2Oc2ccccc2C#N)c1 479596676 WUFRGCZSXHVUDD-UHFFFAOYSA-N 433.895 5.995 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(OC)c(OCc2ccncc2)c1 480454422 PFAIJONTYTZHFS-UHFFFAOYSA-N 443.956 5.604 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481624243 LCQSFOTXYJACID-UHFFFAOYSA-N 433.458 5.636 30 20 IKED CN(Cc1cc(Br)cs1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 482781109 LJVTZSSTQIERCP-UHFFFAOYSA-N 427.323 5.447 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(Sc4nncs4)cc3)c2)cc1 482990593 JJLOBWFXSZTIQC-UHFFFAOYSA-N 430.514 5.606 30 20 IKED C=C(C)[C@@H](NC(=O)N(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1)c1ccc(F)c(F)c1 483306354 TUCOGSXECCIJQY-YADHBBJMSA-N 442.897 5.456 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCc2cc(Cl)ccc2C1 483695020 ALBUBEYIJATHJZ-UHFFFAOYSA-N 431.923 5.689 30 20 IKED CCc1c(NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cnn1C(CC)CC 484336647 ALGKWLWXDNCSDE-UHFFFAOYSA-N 425.924 5.161 30 20 IKED C=CCN(CC1CCCCC1)C(=O)CCc1nc(O)c2c3c(sc2n1)C[C@@H](C)CC3 484885431 DVHYJNZWPFJURW-INIZCTEOSA-N 427.614 5.049 30 20 IKED C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 487805339 KPIASQVYQAPXQN-GFCCVEGCSA-N 431.241 5.223 30 20 IKED C=CCn1c(SCc2nc(CCc3ccccc3)no2)nnc1-c1cccc(Cl)c1 489643173 JMCIENPOYVJTGP-UHFFFAOYSA-N 437.956 5.245 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)N(CC)[C@@H](C)c3ccc(F)cc3)o2)cc1 489782712 KBQXPZZSKPOAPG-INIZCTEOSA-N 441.528 5.142 30 20 IKED COc1cc(C#N)cc(Br)c1OCc1nc(C)c(-c2ccc(Cl)cc2)o1 490346346 UFDGZYUWNXQLKN-UHFFFAOYSA-N 433.689 5.525 30 20 IKED N#CC1(CCCN2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)CCOCC1 499578139 YIEVLQXRLSMGBN-VWLOTQADSA-N 438.015 5.148 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cnn(-c2ncccc2Cl)c1C(F)F 503169276 UBJXPUFGJYKCCX-UHFFFAOYSA-N 443.885 5.028 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 505415283 OHAVGPXDEXUSCC-UHFFFAOYSA-N 442.928 5.270 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12)c1nc2ccccc2o1 505457727 NSCGDBVMRGWRDY-KRWDZBQOSA-N 446.491 6.143 30 20 IKED CC(C)N(Cc1ccccc1F)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 509212079 QQJWVPNKJDUYNM-UHFFFAOYSA-N 430.483 5.392 30 20 IKED CCN(C(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C)[C@@H](C)c1ccc(C#N)cc1 509559581 MAXSZSGGGDIGDK-KRWDZBQOSA-N 443.576 5.836 30 20 IKED CCN(C[C@@H](C)C#N)C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1 509715855 PIHNRPQGOWXWRX-INIZCTEOSA-N 429.549 5.079 30 20 IKED COc1ccc(COCc2cccc(NC(=O)c3ccccc3-c3ccccc3C#N)c2)cc1 513612711 GLMSENZDJXNYGE-UHFFFAOYSA-N 448.522 6.203 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 517460857 BCLPQWAIBIHZDL-CYBMUJFWSA-N 425.406 6.117 30 20 IKED C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 518248165 JYGSYTVRGXVSMY-INIZCTEOSA-N 433.895 5.162 30 20 IKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccccc1F 518256978 UPYPSUTUYJFQFT-QHCPKHFHSA-N 441.466 5.134 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 518871191 ZAKWXMHKIVQEFG-INIZCTEOSA-N 434.471 5.381 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 520653657 UDODQPKHRQQHLQ-UHFFFAOYSA-N 446.016 5.818 30 20 IKED N#CCCN(C(=O)CCC(=O)NCc1ccccc1-c1ccc(Cl)cc1)c1ccccc1 521308681 BLRWSDHBAVYHRR-UHFFFAOYSA-N 445.950 5.350 30 20 IKED Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)cc12 521352845 SSXBSZSHWLNPAU-SFHVURJKSA-N 440.450 5.409 30 20 IKED CN(C)[C@@H](CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1c(F)cccc1F 522466171 DDGWIMATJGBPRA-NRFANRHFSA-N 436.462 5.053 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 522653994 CZTIVXLMYHYVRG-HZPDHXFCSA-N 446.523 5.083 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1C 523536090 CYNBIQWCKAIRPP-UHFFFAOYSA-N 447.498 5.064 30 20 IKED Cc1cc(Br)cc2cc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)oc12 526108670 QHQPIWLCCHJXFV-ZDUSSCGKSA-N 444.235 5.739 30 20 IKED Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1 532512848 YLNQUSMPAIOQMN-ZJSXRUAMSA-N 430.939 6.068 30 20 IKED C=C(C)[C@H](CC(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)OCC 533715498 UFWFTRIVEBAANN-QFIPXVFZSA-N 426.944 5.129 30 20 IKED CC[C@H](C)n1ncc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C1CC1 534084647 VCQKSVOXPJRETI-HRAATJIYSA-N 432.955 6.293 30 20 IKED Cc1nc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c(C)s1 541193215 DINXRKUXHBECCK-CYBMUJFWSA-N 436.343 6.191 30 20 IKED N#Cc1ccc(Oc2ccc(NS(=O)(=O)Cc3cc(-c4ccc(F)cc4)no3)cc2)cc1 543159998 KSVSTTQTVSRBDZ-UHFFFAOYSA-N 449.463 5.087 30 20 IKED C=CCOc1c(Br)cc(CN(C)C[C@H](C)c2nccs2)cc1OCC 543392848 DIHFSWQPEPOQRE-AWEZNQCLSA-N 425.392 5.105 30 20 IKED CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC 543857937 GSJSTUKOUPUZES-INIZCTEOSA-N 445.475 5.032 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3CCO[C@H](c4ccc(F)cc4)C3)c2)cc1 544584979 JSCGICQNTPIMTA-QPPBQGQZSA-N 431.467 5.531 30 20 IKED Cc1cc(Br)cc(C)c1N(CC(F)F)C(=O)c1ccc(C#N)c(Cl)c1 548616227 CVLVGMZRZVWXRL-UHFFFAOYSA-N 427.676 5.503 30 20 IKED N#Cc1cc(-c2nc(-c3cc(Cl)ccc3OCC(F)(F)F)no2)cnc1C(F)(F)F 551016837 UCZRIXBAHYUSTC-UHFFFAOYSA-N 448.710 5.284 30 20 IKED N#Cc1ccccc1-c1ccc(CN2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)cc1 558132759 VERCLBLJYBDYKG-FQEVSTJZSA-N 426.442 5.440 30 20 IKED Cc1csc(Sc2ccc(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)cc2)n1 558623001 LVSHHFMFZNYPFK-UHFFFAOYSA-N 435.578 5.087 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccc(OCC2CC2)c(Cl)c1 558842952 ZXTFYVADXWOCJP-HNNXBMFYSA-N 430.957 5.398 30 20 IKED COc1ccc(-c2nc3c(s2)[C@H](NC2CCN(c4ccc(C#N)cc4)CC2)CCC3)cc1 560525032 WNXIURUIGAUKMS-HSZRJFAPSA-N 444.604 5.326 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1sc2ccccc2c1Br 571133288 MSNFHOVRPVOIEC-LBPRGKRZSA-N 431.380 6.168 30 20 IKED Cc1ccc(CN2CC[C@@H](CN(C)C(=O)c3ccccc3-c3ccccc3C#N)C2)s1 581147891 VCTRMFHMFKZCDH-FQEVSTJZSA-N 429.589 5.189 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)c2)cc1 589829944 AGCZFJOTZLQVQI-SANMLTNESA-N 448.522 5.825 30 20 IKED Cc1cc(C(=O)CCC(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c(C)s1 591192128 GODRMMZGNQNMGO-HSZRJFAPSA-N 432.545 5.288 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 596131920 QFVKDEUGSDMYNC-LJQANCHMSA-N 428.557 6.349 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc2cccc(C)c2c1Cl 603738843 DCLXDNSAQQTIDY-UHFFFAOYSA-N 433.920 6.483 30 20 IKED Cc1nc(NC(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)sc1SCC#N 603775108 XRRXTWUKRPYTII-UHFFFAOYSA-N 444.585 5.772 30 20 IKED CCOc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1[N+](=O)[O-] 603846328 PAGJZBGFHFJJBA-LBPRGKRZSA-N 435.383 5.112 30 20 IKED Fc1cccc(F)c1-c1ccc(CN[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)o1 604414815 AVTSVDUHCGOQJN-GDNZZTSVSA-N 427.335 6.224 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 609298306 SJLHSRJGKXQUGV-UHFFFAOYSA-N 441.318 5.190 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 609430331 PHLKVBGYMNTCKZ-HIFRSBDPSA-N 448.375 5.379 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)NC[C@H](C)c2ccccc2)cc1 609466002 ZOZOAZRKGZSXJR-RBUKOAKNSA-N 429.520 5.079 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N(Cc3ccco3)C3CCCC3)c2)cc1 609469422 UQWFFMRJDNGILI-UHFFFAOYSA-N 429.520 5.901 30 20 IKED CCO[C@@H](C)c1nc(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cs1 609753667 HMZPGNHIHCVOIZ-UONOGXRCSA-N 431.627 5.506 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCS[C@@H](c2ccccc2)C1 609807898 WZLGCMCKBHZEME-XMMPIXPASA-N 429.545 5.981 30 20 IKED CN(C)c1cccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 609811265 WXHJXFGXNQZRHK-VWLOTQADSA-N 426.520 5.786 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3cccc(Nc4ccccc4)c3)s2)cc1 609820657 NXCCQHUWQQISPA-UHFFFAOYSA-N 443.557 5.698 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](COCc1ccccc1)c1ccccc1 610146677 ORCYKNPUJPOGBZ-SANMLTNESA-N 425.532 5.214 30 20 IKED COC(=O)C(C)(C)c1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1 610188826 URSNBXHLNIIWOK-UHFFFAOYSA-N 432.451 5.193 30 20 IKED O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 611615430 NNLLOBIFNLDSEX-UHFFFAOYSA-N 426.244 5.103 30 20 IKED C[C@@]1(C#N)CCCN(C(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)C1 612305014 JFMBDKSZAJEYLM-NRFANRHFSA-N 445.445 5.507 30 20 IKED CCc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnn1-c1ccccc1 613403426 CXOMAZPMRDOGPK-OAHLLOKOSA-N 440.450 5.553 30 20 IKED Cc1nc(COc2ccccc2C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cs1 613407643 ZZABNUXHMWKWKU-MRXNPFEDSA-N 439.949 5.784 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)nnc1-c1ccoc1C 613433484 BHBDRRGPOMWBCS-WMZOPIPTSA-N 446.576 5.544 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1cc(-c2ccc(OC)cc2)no1 675771643 ZFCJWGPFOHZRDS-UHFFFAOYSA-N 448.548 5.307 30 20 IKED C[C@@H](CNC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 682406619 MYXCTMCNHHMYAF-TVYUQYBPSA-N 436.318 5.191 30 20 IKED CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cc(F)c(C(F)(F)F)c(F)c1 683196933 ZPYJBSDIUALADH-UHFFFAOYSA-N 426.263 5.213 30 20 IKED N#C[C@@H](C(=O)CCc1ccccc1OC(F)(F)F)C(=O)Nc1ccc(Cl)cc1Cl 727627160 LPZSGYKOPNOOQP-ZDUSSCGKSA-N 445.224 5.172 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)/C=C\c3cnc4ccccc4n3)cc2Cl)c1 727999852 UJCOIUIMPFCHBK-LUAWRHEFSA-N 440.890 5.386 30 20 IKED COc1ccccc1-c1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)no1 728183112 OLFLVPSXOSHYLV-UHFFFAOYSA-N 443.434 5.192 30 20 IKED CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cc(C)ccc3c2Cl)cc1 729189178 XIBKUGLVFHEFOC-INIZCTEOSA-N 440.908 5.001 30 20 IKED CC[C@H](C)Oc1ccccc1/C=C\C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 729892572 BXXANOSVWBWAIO-RMFMROELSA-N 427.529 5.749 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 731400963 ZIDCKWQFBMFYGA-IBGZPJMESA-N 448.592 5.974 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 731831389 FNINQLXKXFVPEH-VWLOTQADSA-N 430.935 5.464 30 20 IKED N#C[C@@H]1CN(C(=O)Nc2ccc(Oc3cc(Cl)ccc3Cl)c(F)c2)CCN1C1CC1 732698931 OYDWGCORLXFZEU-MRXNPFEDSA-N 449.313 5.129 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2cnc(-c3ccccc3Cl)s2)ccc1OC 733232691 XKYNAZLNWJGWMW-HNNXBMFYSA-N 441.940 5.083 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 733845134 MNDQZVBYKVNKCU-OAQYLSRUSA-N 426.476 5.353 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1cccc(OC(F)F)c1)[n+]1ccc(C(C)(C)C)cc1 738012294 IMEUAZVVRYGJKL-UHFFFAOYSA-O 433.544 5.250 30 20 IKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC[C@H]2CN2CCCC2)c1=S 738102821 AFQLRNXHPVWHFC-QFIPXVFZSA-N 439.673 5.082 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccc(OCC(F)F)cc2)c1 741811789 DHCOLLBPRBGRCD-UHFFFAOYSA-N 446.523 5.104 30 20 IKED N#Cc1ccc(-c2nnc(CSc3ncc(-c4ccccc4)n3CC(F)(F)F)o2)cc1 741853529 XKFOLGWPKJRYED-UHFFFAOYSA-N 441.438 5.326 30 20 IKED Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)c1ccccc1OCC#N 741970368 ZHZHULZNXAKJJS-UHFFFAOYSA-N 442.494 5.886 30 20 IKED C[C@H](OC(=O)c1ccccc1-c1ccccc1C#N)C(=O)N1CCC[C@H]1c1cccs1 744515488 GKKKWMHWCSTNGE-JTSKRJEESA-N 430.529 5.196 30 20 IKED C[C@@H](OC(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl)C(=O)Nc1cccc(C#N)c1 744782977 AOVQXLOQWGZXFX-SECBINFHSA-N 431.197 5.068 30 20 IKED Cc1cccnc1CC(=NNC(=S)Nc1ccc(SC(F)F)cc1)C(F)(F)F 746369966 CWVHSVNZRAWWDJ-UHFFFAOYSA-N 434.459 5.152 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 748003938 MDCBOBBHANNIKA-LJQANCHMSA-N 448.504 5.022 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@@H](C#N)c2nc3c(C)ccnc3[nH]2)cc1 750725147 QYHPCFABXWXZNF-OAQYLSRUSA-N 449.514 5.232 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(CC)Cc2cccc(-c3ccncc3)c2)cc1C#N 752304851 YQSSBGXQYVCEHK-UHFFFAOYSA-N 443.507 5.243 30 20 IKED O=C(/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1cc(O)cc(O)c1 753715982 IATONZDQGMSMPV-DAXSKMNVSA-N 428.271 5.553 30 20 IKED Cn1c(CSc2nc3ccccc3s2)nnc1SCc1cc(F)ccc1C#N 759212960 RDOAIQTZRQHTIO-UHFFFAOYSA-N 427.555 5.020 30 20 IKED CN(C)C(=O)c1cccc(COC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1 761488568 PPQIEOULPNSJKS-UHFFFAOYSA-N 434.879 5.063 30 20 IKED CC(C)(C)Cc1nc(-c2cccc(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)c2)no1 764301240 LSCGUZFDEFZLOO-UHFFFAOYSA-N 439.859 5.011 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F 769944785 DLWBDIHOQRGULB-KFXIKWRMSA-N 436.817 5.032 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)Nc3ccc(Br)c4ccccc34)CCO2)c1 774084425 KLPOEPRLWUXAFB-NRFANRHFSA-N 436.309 5.079 30 20 IKED CC(C)(C)n1ncc2c(O)nc(NN=C3CCC[C@@H]3c3ccc(C(F)(F)F)cc3)nc21 776769808 IIZMJKNFXVMCHC-CQSZACIVSA-N 432.450 5.041 30 20 IKED Cc1csc([C@H](C#N)C(=O)CSc2nc3ccccc3n2-c2ccc(F)cc2F)n1 778565776 HPCRXSGYCRWYJX-CQSZACIVSA-N 440.500 5.037 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1)c1nc2cc(F)ccc2s1 779206481 NWHVYBRXKZDOPW-LMQGHGSNSA-N 447.535 5.085 30 20 IKED COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)Nc2ccccc2O[C@H](C)C#N)C1 780680116 DUPWXVNCNCDTFM-SJORKVTESA-N 427.932 5.126 30 20 IKED C=C[C@@H]1CCCCN1C(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 785862713 FKJNYOAOGGXSRE-GOSISDBHSA-N 427.570 5.262 30 20 IKED Cc1cc([C@@H](CC(=O)O[C@@H](C)c2cccc(C#N)c2)NC(=O)OC(C)(C)C)cc(Cl)n1 788353834 LQFNUVZIWLXJAI-HNAYVOBHSA-N 443.931 5.175 30 20 IKED C#CCC1(C(=O)NC[C@@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)CCCCC1 788490856 DFXJJLMFBSFDMZ-QHCPKHFHSA-N 444.575 5.407 30 20 IKED O=C1COc2cc(C(=O)/C=C/c3nc(-c4cc(Cl)ccc4Cl)cs3)ccc2N1 794733835 UJCNFJJSCGYYLM-AATRIKPKSA-N 431.300 5.344 30 20 IKED COC(=O)c1cccc(CN[C@H](c2c[nH]c3ccccc23)C(Cl)(Cl)Cl)c1C#N 796467643 AHNRNUXXTKNJMV-GOSISDBHSA-N 436.726 5.027 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)s1 797569247 OZOCKHCBPHIICQ-ZDUSSCGKSA-N 432.958 5.113 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(-c2ccccn2)nc2ccccc12 804559001 PCZMSUKILAODRF-UHFFFAOYSA-N 425.536 5.293 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccccc1C(=O)N(CCC)C(C)C 806359708 IYTSRKZJGKHBRH-UHFFFAOYSA-N 439.604 5.335 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(Br)ncc3Cl)cc2)c1 806776538 MQHYONCJWWGNMH-UHFFFAOYSA-N 442.700 5.200 30 20 IKED O=C(O)C(=O)/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccc2ccccc2n1 810198708 DWGIPYRUAHWSOS-LGMDPLHJSA-N 430.441 5.066 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)C(C)(C)c2csc(-c3c(F)cccc3Cl)n2)n1 810606260 VFBUTLHLNGKKAR-GFCCVEGCSA-N 447.988 6.337 30 20 IKED C[C@@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 811802427 AYARSWSAALWKCF-LJQANCHMSA-N 441.535 5.175 30 20 IKED N#C[C@@H](C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1cc(C(F)(F)F)ccn1 813212340 BRAOPNIHDFMJAD-CTNGQTDRSA-N 436.389 5.045 30 20 IKED COc1ccc(-c2nc(S[C@H](C)c3ccc(Br)cc3)nc(O)c2C#N)cc1 813569846 OBPCVERNPQZFQX-GFCCVEGCSA-N 442.338 5.345 30 20 IKED C=CCC(F)(F)C(=O)Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1 815538102 UBKHNTCQNLHGLD-UHFFFAOYSA-N 426.338 5.163 30 20 IKED N#CCCCn1cc(C(=O)O[C@H](c2nc3ccccc3o2)C(F)(F)F)c2ccccc21 816063883 UZNMZDARFWYADZ-LJQANCHMSA-N 427.382 5.547 30 20 IKED Oc1c(Cl)cc(Cl)cc1C=Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 839387533 NTAGOVJNXUWATP-UHFFFAOYSA-N 434.348 5.410 30 20 IKED CC(C)n1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(C2CCOCC2)n1 856612494 YSKHTSCNMVQOJD-QHCPKHFHSA-N 428.536 5.266 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cc1 915097919 HAVKRPOBDFGMTK-NRFANRHFSA-N 434.499 5.529 30 20 IKED N#C[C@H](C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1nc(-c2ccccc2)cs1 915101920 KGPHIYZKYYFVJK-AUUYWEPGSA-N 439.949 5.143 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)[C@H](C#N)c1nc2ccccc2o1 915104449 AJWAXENSCLQANB-AWEZNQCLSA-N 425.275 5.178 30 20 IKED O=C1N/C(=N/C2CCCC2)S/C1=C/c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 916154553 KJMKTHUCSRBSOB-YBFXNURJSA-N 443.912 5.543 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)CSc3nc4ccccc4s3)c2)cc1 916449612 HYJFVJAOICXMTH-UHFFFAOYSA-N 445.569 5.672 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)[C@H](C#N)c1ccc2ccccc2n1 916849669 YUPLRUPMUXFHGY-LJQANCHMSA-N 449.341 5.763 30 20 IKED Cc1ccc(OCCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(C)c1 916907998 KMHCLQUYTWIQGH-OAQYLSRUSA-N 428.488 5.212 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 916926986 BPHPMVUWMWYPRL-GFCCVEGCSA-N 434.260 5.077 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(C)nn(-c4ccccc4)c3Cl)n2)cc1 916973432 XHTCIENCZOYGDD-SFHVURJKSA-N 432.936 5.756 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 919893647 NIKMHVNGQIQIHJ-UHFFFAOYSA-N 443.503 6.258 30 20 IKED C=CCOc1ccc(/C=C\C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OC 920138825 KPKUKECOWVWCTN-OZVOWOKYSA-N 446.528 5.282 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cncc4cnccc34)CCC2)cc1 1789456895 YRAVFESUIIJZCT-QFIPXVFZSA-N 440.547 5.146 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4ccncc34)CCC2)cc1 1789457983 IVVXGLKUAGXXKW-HSZRJFAPSA-N 439.559 5.751 30 20 IKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4cccc(F)c4s3)CCC2)cc1 1791575559 MPXOKSZQPGEHRP-ZDUSSCGKSA-N 428.554 5.106 30 20 IKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1cccc(C)c1)C2 1793049004 KKODBBDGPLCTTK-BKFWDETESA-N 443.591 5.077 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccnc1 1802495810 NCVPXPDISUASHR-DQEYMECFSA-N 447.623 5.517 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cccs2)n[nH]1 1815990113 LQVDWEOSSYAMNB-IBGZPJMESA-N 428.602 5.089 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccccc2Cl)CC1 1828822579 JPZACZOYEUXTKG-ISKFKSNPSA-N 443.031 5.271 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccsc3[nH]2)CC1 1828831650 WVONWZWXLMGLOC-IRLDBZIGSA-N 439.625 5.231 30 20 IKED Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)N=C2SCCCC#N)cc1 8750798 SGEMTQGGFMBPJE-CPNJWEJPSA-N 430.360 6.083 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(O)c2)c(C)c1 10168526 FNYGHXOWFWDSAY-UHFFFAOYSA-O 446.379 5.654 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(O)c2)cc1 10173469 JZFWRKHQBYZENI-UHFFFAOYSA-O 446.379 5.600 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C)cc2)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 22730276 AAAZALXQGHJJMF-UHFFFAOYSA-O 441.523 5.497 30 20 IKED CC(=O)c1sc(/N=C(\O)c2sc(Cc3ccccc3)nc2C)nc1-c1ccccc1 33151819 RNVDRLNOKXHTDY-UHFFFAOYSA-N 433.558 6.005 30 20 IKED Cc1ccc(-c2cc(C(=O)N3CCC(C#N)CC3)c3sc(N4CCCCC4)nc3n2)cc1 61637307 MGHIKXKYXLEFJD-UHFFFAOYSA-N 445.592 5.033 30 20 IKED CCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1OCC 64714293 CJKIRRSRWXNXOX-AWEZNQCLSA-N 428.460 5.376 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccccc1OCc1ccccc1 78720096 XOYXLFXPVQVSAG-LJQANCHMSA-N 432.545 5.677 30 20 IKED O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1ccccc1)c1cccc(N2CCOC2=O)c1 214909437 JIDRFEKQYHKQKH-PFONDFGASA-N 449.510 5.451 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCC(C(F)(F)F)(C(F)(F)F)C3)c2)cc1 303663708 IAWPUPMZBGOLQW-UHFFFAOYSA-N 442.359 5.094 30 20 IKED CCSc1cccc(-c2noc(C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n2)c1 426591080 MNGXMWXFYAWCGT-UHFFFAOYSA-N 447.520 5.352 30 20 IKED CC(=O)c1ccc(Br)cc1OCC(=O)Nc1ccccc1S[C@H](C)CC#N 428017892 PWDKJJCUDLTRTB-CYBMUJFWSA-N 447.354 5.063 30 20 IKED Cc1ccc(C2=NN(C(=O)CN[C@@H](CCCC#N)c3ccccc3)[C@@H](c3ccco3)C2)cc1 433015141 VSSSDCOLKGHFTP-UKILVPOCSA-N 440.547 5.291 30 20 IKED CSc1nc(C)c(CCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(C)n1 437472810 ZQZJCJVYORZYEM-UHFFFAOYSA-N 436.512 5.190 30 20 IKED C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 437504939 WGVOQAICAKJUGN-YWZLYKJASA-N 429.451 5.336 30 20 IKED C[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)[C@@H](OC1CCOCC1)c1ccccc1 437815154 LXJYKBMBRUZLRH-CCLHPLFOSA-N 440.543 5.280 30 20 IKED COc1cc(CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C2CC2)ccc1O 438653363 FDCNTFJZRSWODQ-UHFFFAOYSA-N 447.466 5.400 30 20 IKED N#CCC[C@H](Nc1nc(N[C@H](CCC#N)c2ccccc2)ncc1Cl)c1ccccc1 439102683 XJNBCXAHUSLNBA-FCHUYYIVSA-N 430.943 6.044 30 20 IKED COCCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@H]1CCCSC1 448018977 SLIBNBSQMXSRDS-FPOVZHCZSA-N 444.000 5.371 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)c1 448186092 VEGSMJZHNPEXNF-UHFFFAOYSA-N 428.985 5.544 30 20 IKED Cc1ccccc1[C@H]1CN(C(=O)c2cccc(OCc3ccccc3C#N)c2)[C@@H](C)CO1 460397584 GJRWFFZDMWKINV-RXFWQSSRSA-N 426.516 5.048 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 464865310 XJSYWHLMYRAWNU-UHFFFAOYSA-N 437.455 5.757 30 20 IKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3)n2C)nnc1-c1ccc(F)cc1 472208432 NNTHZAWAYMXUOX-UHFFFAOYSA-N 440.935 5.011 30 20 IKED Cc1nc2cc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)ccc2n1Cc1ccsc1 473090975 VVEQLLDSTXTCRB-LADGPHEKSA-N 440.572 5.367 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CC(c4nc5ccccc5s4)C3)cc2)cc1 477701208 KJUVATYMFXZGSG-UHFFFAOYSA-N 425.513 5.394 30 20 IKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1c(F)cc(C#N)cc1F 479530309 RNWJOOVRSGFHPD-UHFFFAOYSA-N 442.487 5.148 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(F)c(Br)c(F)c1 480723018 ZSMBHNIRHARDNJ-UHFFFAOYSA-N 427.293 5.115 30 20 IKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3cnc4ccccc4n3)cc(-c3cccs3)nc21 483244382 NJYRZNPAKBGBDI-MRXNPFEDSA-N 438.516 5.174 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 483331795 UEOYBDMDVHDSMN-SFLYRZDNSA-N 448.636 5.599 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3F)s2)nnc1-c1ccoc1C 484501064 LIRWPCBSVAHNOQ-ZDUSSCGKSA-N 427.530 5.543 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CCCOc2ccc3c(c2)NC(=O)CC3)cc1 485779621 VNFPIEKKBDDLSG-UHFFFAOYSA-N 441.487 5.033 30 20 IKED Cc1nc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])sc1SCC#N 486036490 LYDPYCDQRGJSAC-UHFFFAOYSA-N 442.547 5.379 30 20 IKED COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 486586556 PGKMORSFVOOWJX-HXUWFJFHSA-N 440.956 5.110 30 20 IKED C=CCn1c(SCc2nc(-c3ccc(F)c(F)c3)no2)nnc1-c1ccccc1C 486620216 LPCPHXIKKVPQTJ-UHFFFAOYSA-N 425.464 5.060 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCc2cccc(C(F)(F)F)n2)cc1 489151749 HOSAMILWNZVMNO-UHFFFAOYSA-N 441.478 5.237 30 20 IKED C=CCC(C)(C)CNC(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 490008128 ZEIUOQACXVCVMG-UHFFFAOYSA-N 440.653 5.196 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)cc1 490570385 RZZMGRFQSGZWAZ-DEOSSOPVSA-N 427.504 5.156 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)c1cccs1 493573854 QWIMMZRPWRSAQU-XLIONFOSSA-N 449.601 5.181 30 20 IKED C=CCOc1c(Br)cc(CNc2cc3c(cc2F)NC(=O)CC3)cc1OCC 495180228 KLVKKSDFLPYFBI-UHFFFAOYSA-N 449.320 5.049 30 20 IKED Cc1cc(SC2CCCCC2)ccc1NC(=O)N1CCN(c2ncccc2C#N)CC1 498936052 ZJCJOOAZNGRJEI-UHFFFAOYSA-N 435.597 5.041 30 20 IKED C[C@@H](NC(=O)C1CCC(OC[C@H]2CCCO2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 498945455 BHVCYSXTSKLCDJ-YHYDXASRSA-N 432.564 5.157 30 20 IKED CC(C)Cn1ncc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1C(C)C 499589197 OHZKUAPVEWTVSH-UHFFFAOYSA-N 445.567 5.952 30 20 IKED COc1ccccc1C[C@@H](C)CC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 500649595 VCGKCSQFYZYRSN-NLFFAJNJSA-N 428.532 5.224 30 20 IKED Cc1sc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)nc1-c1cccc2ccccc12 501775299 PKCZUGARVRBEQP-UHFFFAOYSA-N 438.434 5.810 30 20 IKED Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 503468105 IKKQQPPXBWKBJZ-UHFFFAOYSA-N 439.563 5.671 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](CC1CCCC1)c1ccccc1 503676477 JMBYXCLAOJRDMQ-GCJKJVERSA-N 435.593 5.457 30 20 IKED O=C(CN[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)Nc1ccccc1C(F)(F)F 505885256 PIVCIDBLXIHXPJ-HNNXBMFYSA-N 444.297 5.556 30 20 IKED N#Cc1ccccc1Cn1cccc1CNc1nccn1Cc1ccc(Br)cc1 508502339 KBMZKBHQPGNIJV-UHFFFAOYSA-N 446.352 5.027 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2nc(CN3CCCCCC3)cs2)c1 508563155 JFSOTYOZXCCJAE-UHFFFAOYSA-N 446.576 5.222 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 509019461 XZTCGXZMQCDUHW-UHFFFAOYSA-N 447.579 5.330 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@H]3C3CCCCC3)s2)cc1 510246550 ZQPOGMWIAYRLRP-SFHVURJKSA-N 427.599 5.279 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)cc1 510620151 QYYZJUFIUYRSTG-VWLOTQADSA-N 443.522 5.551 30 20 IKED Cc1c(C#N)c(NC(=O)CCN(C)Cc2ccc3ccccc3c2)n(Cc2ccco2)c1C 514916361 JXQZJLZJGRXKIX-UHFFFAOYSA-N 440.547 5.232 30 20 IKED Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 518067237 ROZNAHCCRODPPH-VGSWGCGISA-N 431.923 5.120 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(CN3CCCCC3)c2)cc1 520362305 NGIONKRNPNQFPR-UHFFFAOYSA-N 441.600 6.089 30 20 IKED N#Cc1cc(NC(=O)NCc2nc3cc(Cl)ccc3s2)ccc1OCC(F)(F)F 520385936 BCZPMGBRWKNASC-UHFFFAOYSA-N 440.834 5.084 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 520565908 RPZWSKXPRYLUPM-UHFFFAOYSA-N 442.978 6.081 30 20 IKED Cc1ccc(-c2nnco2)cc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 523978585 KHMLVGGVPOOJOL-UHFFFAOYSA-N 430.851 5.615 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc4onc(C(C)(C)C)c4c3)n2)cc1 524433222 SUXVGEZEFPEHFZ-QGZVFWFLSA-N 432.505 5.142 30 20 IKED CN(CC1(c2ccc(Br)cc2)CC1)C(=O)CCCCOc1cccc(C#N)c1 524950653 PBOGEVOPPXZWHK-UHFFFAOYSA-N 441.369 5.060 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)cc1 525418514 GDIGXLOGWKLAMW-CVDCTZTESA-N 449.913 5.802 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(O[C@H](C)c4ccccc4)cc3C)CC2)o1 526007802 AFVVQYVORXOZMM-GOSISDBHSA-N 444.535 5.158 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3c(F)cc(Br)cc3F)c2)c1 531262762 HAEQHXSIGIJASV-UHFFFAOYSA-N 443.247 5.430 30 20 IKED CC[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H](c1ccc(C)cc1)n1cncn1 535217165 SYNXYDBBZBWHCJ-GREBRCKQSA-N 448.596 5.171 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)Nc1cccc(C#N)c1C)C(F)(F)F 537514463 JGBBBQILQVWAEA-HXUWFJFHSA-N 427.430 5.094 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(C)CCC1CCN(c2ccncc2)CC1 540047074 FSWFSURSHBQAJO-LJQANCHMSA-N 437.613 5.104 30 20 IKED Cc1ccc([C@@H](N[C@@H](C)c2ccc(C#N)c(F)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 540706475 BCXBAPXZUVXIGD-BVZFJXPGSA-N 436.552 5.158 30 20 IKED C=CCN(C(=O)c1cncc(C(=O)OC)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 541835398 MUAGMWVMDUQDHK-UHFFFAOYSA-N 448.331 5.131 30 20 IKED C[C@@H](NC(=O)N(Cc1ccccc1)Cc1cc[nH]n1)c1ccc(-c2cccc(C#N)c2)cc1 543942983 MDFSGGPNPPDHDD-HXUWFJFHSA-N 435.531 5.421 30 20 IKED COc1cc(C#N)ccc1NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 546709296 IMVDPRIFYKIFEL-UHFFFAOYSA-N 440.286 5.378 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCc2cc(Br)cc(F)c2C1 552970501 WJBRNHIWOKMDEN-CYBMUJFWSA-N 448.361 5.573 30 20 IKED C[C@@H](NC(=O)N1[C@H]2CC[C@H]1CC(c1ccnn1C)C2)c1ccc(-c2cccc(C#N)c2)cc1 555141870 QMSMWRCAQMEXJY-YWWLGCSWSA-N 439.563 5.140 30 20 IKED N#Cc1cccc(-c2nnc(N3CCC(c4cccc(Cl)c4)CC3)n2C[C@@H]2CCCO2)c1 555383370 IAYWTUUCOIITNS-QHCPKHFHSA-N 447.970 5.033 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)C2CC2)cc1 564442244 IVXOBMZEMAKQKG-UHFFFAOYSA-N 443.404 5.098 30 20 IKED CC(C)n1c(CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)nc2ccccc21 581123391 VMULPZJZJSUJGM-UHFFFAOYSA-N 449.986 5.065 30 20 IKED CCOC(=O)c1sc(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)c(C#N)c1C 589742556 MTQSSHXGPFKUFM-UHFFFAOYSA-N 449.410 5.031 30 20 IKED N#C[C@H](C(=O)c1sc(-c2ccco2)nc1-c1ccccc1)c1nc2cc(F)ccc2s1 592974666 WSQSQFZTDIAYFO-OAHLLOKOSA-N 445.500 6.309 30 20 IKED N#CCc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)c1 603734853 LTCYTNGMLFIHNH-NRFANRHFSA-N 434.421 5.167 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cnc4ccccc4c3C(F)(F)F)cn2)cc1 603765751 XSVDOTQKGYEOMK-UHFFFAOYSA-N 434.377 5.565 30 20 IKED C=CCn1c(SCC(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C)nnc1-c1ccc(Cl)cc1 605522938 MVKXSRRSVAKDRE-SUMDDJOVSA-N 431.005 5.056 30 20 IKED CN(C(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F)c1ccc(F)c(F)c1 608764025 YIDZNMDEJSTENZ-UHFFFAOYSA-N 449.301 5.465 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCc3ncc(-c4ccccc4F)o3)cc2)c1 609065113 XLWXOFUMVDOKQM-UHFFFAOYSA-N 441.462 5.503 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 609080403 ZKSHJZDISRPGRM-UHFFFAOYSA-N 444.510 5.321 30 20 IKED COc1cc2cc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)[nH]c2c(OC)c1OC 609177455 VRZJBJAZTKSIJA-UHFFFAOYSA-N 443.459 5.110 30 20 IKED N#Cc1ccc(CNC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)c(F)c1 609628084 JYUWVLUQCSNHAT-UHFFFAOYSA-N 430.361 5.225 30 20 IKED COC(=O)c1ccc(CN(C)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 609723277 ZWWDAWMRRIVZHU-UHFFFAOYSA-N 434.879 5.063 30 20 IKED CCCNC(=O)c1cccc(CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 609727258 GOLAKSVUUVCBOD-UHFFFAOYSA-N 447.922 5.074 30 20 IKED C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F 610057935 QBXHJZLOTOZNFF-LLVKDONJSA-N 434.892 5.554 30 20 IKED CC(C)(C)OC(=O)Cc1cccc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1 610321361 RWXIJAXMPKWINW-UHFFFAOYSA-N 444.491 5.274 30 20 IKED Cn1ccnc1C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1 610323996 RZKBRSUBKGUHKV-DEOSSOPVSA-N 437.503 5.190 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C 612790442 KCYAOHIHFKXUOU-SFHVURJKSA-N 425.381 5.024 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(OCC(F)(F)F)c1 676249281 BPEWTRMPOAGREX-QWRGUYRKSA-N 437.302 5.267 30 20 IKED FC(F)(F)c1ccc(-c2nc(CN3C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)co2)cc1 677378679 QZHVUFILLRWILA-BETUJISGSA-N 432.286 5.533 30 20 IKED COc1ccc(C(C)=NNc2nc(C)nc3sc(-c4ccccc4)cc23)cc1NC(C)=O 726418047 YQCGPNIPMMFNIG-UHFFFAOYSA-N 445.548 5.470 30 20 IKED CCc1cccc[n+]1/C(C(=S)N=C1C=CC(=C(N)O)C=C1)=C(/O)c1ccc(C(C)C)cc1 726569944 PHKVJEWJBUHRTC-UHFFFAOYSA-O 446.596 5.166 30 20 IKED CC(=O)c1cccc(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 728063006 ZPUCVLKGTZCNAI-INIZCTEOSA-N 447.922 5.432 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 728668816 AJCKXGXMGMEORA-IBGZPJMESA-N 442.515 5.966 30 20 IKED CCCOc1cn(-c2ccccc2)nc1C(=O)[C@H](C#N)C(=O)Nc1ccc([C@H](C)CC)cc1 728767062 UEGGMVFORWQFAX-GCJKJVERSA-N 444.535 5.136 30 20 IKED CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)NCc1ccc(OCC#N)cc1 729052534 MFXQUSSFERCRHX-UHFFFAOYSA-N 437.540 5.577 30 20 IKED CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)c1 731061734 GTDXCHZPVMFUTG-CYBMUJFWSA-N 434.970 5.109 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCCc1ccc(Br)cc1F 731114352 OSJCYVKJWBFZDW-CYBMUJFWSA-N 436.350 5.204 30 20 IKED Cn1c([C@@H](C#N)C(=O)CCCSc2ccc(Br)cc2)nc2ccccc21 731136099 KVRSGEMJUJYZBR-INIZCTEOSA-N 428.355 5.085 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)CN(Cc1ccco1)c1cccc(Cl)c1 731981555 GPTWOOINLBXSPU-UHFFFAOYSA-N 444.922 5.075 30 20 IKED O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 733759563 VLDVOSUUSWAFLD-UHFFFAOYSA-N 447.310 5.224 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)c1 733771992 VGKCXASPWVSZCS-DURWQBQJSA-N 440.543 5.366 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c23)c1 733772985 KARGVSSGINLSBF-HXUWFJFHSA-N 440.503 5.118 30 20 IKED COc1ccc2[nH]cc(C(=O)/C=C\c3cn(Cc4ccccc4)nc3-c3cccnc3)c2c1 734306986 KGTZJHOOLXHAJB-XFXZXTDPSA-N 434.499 5.379 30 20 IKED CCCOc1ccc(-c2nc(C(=O)OCc3cc(Cl)ccc3OCC#N)cs2)cc1 735348409 ADNFSKHAIRKCHL-UHFFFAOYSA-N 442.924 5.512 30 20 IKED COc1cc(C=NNc2c(F)cccc2F)ccc1OCC(=O)Nc1ccccc1Cl 735615392 OHQKXJQLJJUIHI-UHFFFAOYSA-N 445.853 5.090 30 20 IKED CC(C)n1ncc2c(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)cc(C3CC3)nc21 739599729 OVBDFYQKOWQGRO-UHFFFAOYSA-N 441.560 5.420 30 20 IKED Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)ccc1N[C@H](C)c1cc(Cl)ccc1Cl 741280794 HIHBIIUXYMZNDB-GFCCVEGCSA-N 439.306 5.194 30 20 IKED N#C[C@H]1CN(C(=O)c2cccc(CSc3cc(Cl)cc(Cl)c3)c2)CCN1C1CC1 741565948 XYTNZEOECIAVSR-FQEVSTJZSA-N 446.403 5.098 30 20 IKED CSc1cccc([C@@H](NCc2ccc(N(C)CCC#N)cc2)c2cc(F)ccc2F)c1 742384469 DMUDVVVVBJLLNB-RUZDIDTESA-N 437.559 5.916 30 20 IKED C[C@H](NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1)c1cc2ccccc2o1 743475679 WNTDXGSOMBBUEI-RBUKOAKNSA-N 439.515 5.561 30 20 IKED C[C@H](ON=Cc1ccccc1OC(F)F)c1nc(-c2cccc(C(F)(F)F)c2)no1 744444231 TZTUHUUEDNWYFA-NSHDSACASA-N 427.329 5.469 30 20 IKED CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(Sc2ccccc2C#N)cc1 748289449 FCWLZHDQXWXZSS-UHFFFAOYSA-N 435.936 5.074 30 20 IKED Cc1cc(C#N)ccc1COC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 749155264 NZFHAEQLZQDPFQ-UHFFFAOYSA-N 436.537 5.059 30 20 IKED C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3n2CC)cc1OC 751233523 UVLJNDHQLSXPOL-LVANHBEFSA-N 431.536 5.007 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)/C=C(\C)c1ccccc1OC(F)F 753393959 IXXURRXQVOKWPT-SAAWKEMMSA-N 448.853 5.009 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 755752657 ZTIYWUIFQFHPJX-DVOMOZLQSA-N 433.961 5.189 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](c1cccnc1)c1cccc(C(F)(F)F)c1 759593272 FFUYZHIUPXLUFF-VFNWGFHPSA-N 426.394 5.072 30 20 IKED COc1ccc(-c2nc(/C=C\C(=O)c3ccc(N4CCOCC4)cc3Cl)cs2)cc1 762439664 VLFVTAOWBHKOAW-WTKPLQERSA-N 440.952 5.205 30 20 IKED CCCCOc1c(Cl)cc(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)cc1OC 764302684 SZRCPVMBGGQJDW-UHFFFAOYSA-N 438.267 5.213 30 20 IKED CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1c(F)c(F)c(F)c(F)c1F 765846205 VFGQIUXPPNMYCK-UHFFFAOYSA-N 440.334 5.250 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)nnc1-c1ccccc1C 768410694 GSGRSDIXOCPGJQ-IBGZPJMESA-N 447.608 5.159 30 20 IKED N#Cc1cccc([C@H]2CN(Cc3cccc(NC(=O)c4ccc(Cl)cc4)c3)CCO2)c1 770392729 UXUWLRHKQNXJCE-XMMPIXPASA-N 431.923 5.037 30 20 IKED CC[C@H](c1ccccc1)N1CC(=O)N(c2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1=O 771819592 QFUCTOBKDLMZFN-LADGPHEKSA-N 443.934 5.915 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1 772551925 RUMOTCBBWUSWLG-HXUWFJFHSA-N 449.551 5.428 30 20 IKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)csc1Br 773976004 QDPOQXSOQINHFE-LLVKDONJSA-N 445.310 5.095 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1cccc(OC(F)(F)F)c1 775546204 BBZIIBNJSJOTFS-HUUCEWRRSA-N 437.487 5.269 30 20 IKED Cc1nc(-c2ccccc2F)sc1[C@H](C)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 777115919 RWBCCZWLQVOVSB-HNNXBMFYSA-N 436.556 5.264 30 20 IKED CC(C)(C#N)CNC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 782099554 LBZYVGFGRJIDBL-UHFFFAOYSA-N 440.619 5.235 30 20 IKED Cn1cc(/C=C/C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)c(C2CCCCC2)n1 783710116 AASLHEUDUYRAFK-DTQAZKPQSA-N 426.582 5.080 30 20 IKED C=CC[C@H](NC(=O)C(=O)N[C@@H](c1ccc([C@H](C)CC)cc1)c1cccs1)c1ccncc1 785552308 TZRHLYSENBQFDE-OUOWLKGYSA-N 447.604 5.296 30 20 IKED C#CC[C@H](NC(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccccc1 788817722 IGXWKEKKAXVVJX-GOTSBHOMSA-N 448.364 5.192 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl 789719001 MRGBAUJRDHZYTQ-UHFFFAOYSA-N 449.016 5.521 30 20 IKED C[C@@H](NCc1cn(CCC#N)nc1-c1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 792181448 PUDWWBJCWZUFIT-MRXNPFEDSA-N 432.915 5.018 30 20 IKED CCc1cccc2c1OC/C(=C\c1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)C2=O 794727266 GYBKXDFRJXTANW-LFIBNONCSA-N 438.936 5.702 30 20 IKED CCc1noc(C2CCC(=NNc3ccc(-c4cccc(C(F)(F)F)c4)nn3)CC2)n1 794980866 GWGRKNGSANCBNA-UHFFFAOYSA-N 430.434 5.234 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(COC(=O)c2ccc(C)c(C#N)c2)cs1 799550465 QSHNOQLPNIEYMC-UHFFFAOYSA-N 425.897 5.018 30 20 IKED CC1(C(=O)[C@H](C#N)c2ccc3ccccc3n2)CCN(c2ccc(Cl)cc2C#N)CC1 805844549 LCUWXKSAHIOWET-HXUWFJFHSA-N 428.923 5.243 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 806265248 MCLWCFRBVRYISN-YADARESESA-N 445.588 6.391 30 20 IKED COc1ccc(-c2cc(C(=O)N(C)Cc3cccc(C#N)c3)c3ccccc3n2)cc1OC 914449988 SLOUYBKYCIHBAL-UHFFFAOYSA-N 437.499 5.063 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc(-c2ccc(OC(F)F)cc2)cs1 914741165 SMVNWGMOUMUYST-UHFFFAOYSA-N 440.431 5.228 30 20 IKED N#C[C@@H](C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 916888416 XRCXCWMFNMOAPZ-UPVQGACJSA-N 448.975 5.188 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(-c3ccccc3)s2)cs1 917559749 NKAWAKRNGFNXIY-JLHYYAGUSA-N 444.581 6.761 30 20 IKED Cc1nc2sccc2c(=O)n1N=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 917579823 HLZNVNNXLQSMOT-UHFFFAOYSA-N 445.935 5.155 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)c1C#N 919720018 VAMAIDSNLISAJH-UHFFFAOYSA-N 429.549 5.005 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 919998593 JRZBTKXZJJQFMC-UHFFFAOYSA-N 436.393 5.203 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 920106761 ZYTXJIUQDHNEEJ-ZZLBYYGFSA-N 428.488 5.949 30 20 IKED N#CCC(=O)Nc1ccc(C2(NC(=O)C3(c4cccc(Cl)c4)CCCC3)CCC2)cc1 1787651285 FZLFOXJUPUFIQL-UHFFFAOYSA-N 435.955 5.200 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ccc4occc4c3)cc2)CCC1)C(F)(F)F 1789049221 DLWZAOQQCWFVDN-UHFFFAOYSA-N 428.410 5.299 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCCCC4(F)F)CCC3)cc2)cc1 1790285519 COOHUCZFROBXGE-NRFANRHFSA-N 437.490 5.131 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ccncc45)CCC3)cc2)cc1 1790290507 SVHUVHFNDQYFKG-UHFFFAOYSA-N 446.510 5.168 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H](c3ccccc3)C(C)C)CCC2)cc1 1790564305 WYJIYFNKMOPTCZ-YKSBVNFPSA-N 449.595 5.361 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ncccc3SCC)CCC2)cc1 1791300373 BWFYPGNBXAVBHP-UHFFFAOYSA-N 445.535 5.153 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(F)cc1C(F)(F)F 1803849492 GKZCFNFARXCDOK-BJWYYQGGSA-N 440.481 5.089 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](C)c3ccc(OC)cc3)CC2)C1 1804857731 WXDXUANOHLEULB-NRFANRHFSA-N 440.628 5.022 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)C34CC(c5ccccc5)(C3)C4)CC2)C1 1805461176 RNNREAGQPOBDAV-UHFFFAOYSA-N 446.635 5.108 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(Cl)c2)[C@H]1c1cccnc1 1811815057 JITVPLBMOZCRJT-IFMALSPDSA-N 439.987 5.047 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3ccoc3c2)CC1 1828830484 NFKQGPCUOJGNHT-BJKOFHAPSA-N 434.580 5.435 30 20 IKED CC(C)c1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)cc1 1829958354 HEJLRXVAYATMLC-SANMLTNESA-N 443.591 5.229 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](c1ccc(Cl)cc1)C(C)C)C2 1844204378 QWYHSPJWMLUCDW-FCHUYYIVSA-N 429.004 5.051 30 20 IKED Cc1nc(S[C@H](C)C(=O)Nc2ccccc2C#N)c2cc(-c3ccccc3)sc2n1 20993499 RZPUPUNYYNPWPS-CQSZACIVSA-N 430.558 5.658 30 20 IKED C=CCn1c(SCc2ccc(Cl)nc2)nc2scc(-c3cccs3)c2c1=O 23372764 URYCQEHMYNMCHA-UHFFFAOYSA-N 431.995 5.713 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)NCCC2=CCCCC2)nnc1-c1ccc(Cl)cc1 33474860 AKZQHAWGPGHRJR-INIZCTEOSA-N 431.005 5.272 30 20 IKED Cc1sc(NC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(C#N)c1C 61197937 XDWYHQPPYCTCEJ-UHFFFAOYSA-N 447.604 5.322 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CCc1ccc(C#N)cc1 72011793 HOKXFZCWZAEIHI-UHFFFAOYSA-N 433.430 5.495 30 20 IKED Cc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2S[C@H](C)CC#N)c1C 78665767 QILZALYVXVJLRY-QGZVFWFLSA-N 436.606 5.614 30 20 IKED CCN(C[C@@H](C)C#N)Cn1nc(-c2ccc(C(C)(C)C)cc2)n(Cc2ccco2)c1=S 303195185 XTROABCAJPLMOG-SFHVURJKSA-N 437.613 5.459 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc3c(c2)nc(C(F)F)n3C)cc1 409621786 AJBZTUNBVLFBTL-UHFFFAOYSA-N 448.429 5.436 30 20 IKED C[C@@H](c1cccc(Br)c1)[S@](=O)Cc1cc(C#N)ccc1Br 427477974 DAJXIMQFMOIAPW-WIUDPPPLSA-N 427.161 5.093 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 429540064 SGQUUTLIXIGTFX-UHFFFAOYSA-N 441.457 5.264 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)s1 430645698 VHGHJYRQSATNGU-KRWDZBQOSA-N 433.512 5.046 30 20 IKED C[C@]12CCN(C(=O)Nc3cc(C(F)(F)F)ccc3SCC(F)(F)F)C[C@@H]1C2(F)F 432967696 ZTKQGYNJLGOSNV-JSGCOSHPSA-N 448.379 5.869 30 20 IKED N#CCCC[C@@H](NCC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1)c1ccccc1 433022651 WSAGNFGESLSHNJ-AOYPEHQESA-N 431.967 5.570 30 20 IKED Cc1c(Br)ccc(NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c1F 433753783 NGIZIBHMBLIORZ-UHFFFAOYSA-N 437.153 5.245 30 20 IKED C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 437465003 DEQKYUBNDAMLOG-YWZLYKJASA-N 429.451 5.336 30 20 IKED CN1C(=O)COc2ccc(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)cc21 437894213 IZUDZNLDWIIUNP-UHFFFAOYSA-N 448.866 5.003 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N(Cc1ccccc1Cl)C1CCCC1 439649233 MBYPDLJDERXEMI-UHFFFAOYSA-N 441.984 5.256 30 20 IKED CCCc1c(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cnn1-c1cccc(C#N)c1 439660753 COZCLUOSJCXCAW-QFIPXVFZSA-N 433.943 5.719 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1 441229359 SULYFEZNEXTJDU-MRXNPFEDSA-N 431.830 5.058 30 20 IKED C=CCN(C(=O)[C@@H](C)c1ccc(Br)s1)c1nc(-c2ccccc2)cs1 443818217 TWRQJLGGVBYSRC-ZDUSSCGKSA-N 433.396 5.957 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc3c(c2)CCC3)cc1Cl 446437552 ANDWLAYKHJDOCD-QFIPXVFZSA-N 429.907 5.061 30 20 IKED CC(C)c1nc(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccccc2n1 447336934 ZOJCDBROKHMXEP-MRXNPFEDSA-N 436.606 5.736 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)CCCNC(=O)c2ccsc2)c1 460337035 FSXNHVDOMRTYAX-UHFFFAOYSA-N 437.952 5.017 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)c2cccc(Oc3cnccn3)c2)c1 460340850 VYDUTJCYBOTTET-UHFFFAOYSA-N 440.890 5.641 30 20 IKED CCc1nc(C)c([C@@H](C)N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)s1 461496415 NBNTUHFQJKUNEI-MRXNPFEDSA-N 448.621 5.451 30 20 IKED CCOCCOCc1cccc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1C 464791652 FOPMYDSIVCJHMS-UHFFFAOYSA-N 444.531 5.773 30 20 IKED C=CCOc1ccc(CN(C(=O)C2CCC(NC(=O)C3CCCC3)CC2)C(C)(C)C)cc1 467883527 QPPLFXBLRCGQMQ-UHFFFAOYSA-N 440.628 5.244 30 20 IKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N 468114479 YLQZTJBXXHJURX-LSYYVWMOSA-N 439.559 5.207 30 20 IKED CC(C)OC(=O)C[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 468232007 VUXHDQRMWLMYDX-FPOVZHCZSA-N 433.552 5.050 30 20 IKED N#Cc1ccc(SCC(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)cc1 468248826 ASLVOAJHQXHCDH-UHFFFAOYSA-N 441.478 5.293 30 20 IKED COc1cc(Br)ccc1[C@H](C)NC(=O)N(Cc1ccc(C#N)cc1)C(C)C 469106777 RFZDTXDOOJWVAP-HNNXBMFYSA-N 430.346 5.011 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H](C[C@@H](C)O)c2ccccc2)cc1 469705941 WPPWPSUPVGLWKM-NQIIRXRSSA-N 445.519 5.035 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)[C@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 470640939 HTMQAVCEZIFXBZ-KRWDZBQOSA-N 441.622 5.240 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 476371700 YGJRNHNESALJHK-FOIQADDNSA-N 448.419 6.163 30 20 IKED COCCCn1c(SCc2ccc(Cl)cc2C#N)nnc1-c1ccccc1Cl 479214988 WXFMBVZTDIHJJB-UHFFFAOYSA-N 433.364 5.452 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)Nc1ccc2oc(O)nc2c1 479861902 ZJHNNGCLEGXMDW-UHFFFAOYSA-N 448.504 5.124 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3sc(C4CC4)nc3-c3ccccc3)CC2)c1 481440670 ULWWAARBAFFYGH-UHFFFAOYSA-N 429.545 5.243 30 20 IKED COc1ccccc1-c1csc(C2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)n1 481562563 BCCCPSDPURQOEI-UHFFFAOYSA-N 443.572 5.394 30 20 IKED Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)CSc2ccc(C#N)cc2)n1 482904124 BOBZZSBNZVWTDG-UHFFFAOYSA-N 430.455 5.110 30 20 IKED N#C[C@@H](C(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)c1cnc2ccccc2n1 483225985 GEKVNOCRHFWGLG-GOSISDBHSA-N 435.512 5.093 30 20 IKED Cc1c([C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)C(C)C)oc2ccccc12 483307102 GCWITVKDWBZSEI-ZHRRBRCNSA-N 449.576 5.445 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(C(=O)C3CCC3)cc2)cc1C 489697359 QNJRMXFXSBSYRA-UHFFFAOYSA-N 426.520 5.316 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@H](c1c[nH]c2ccccc12)C(F)(F)F 490784289 NNYWLADVAICZSD-DUXKGJEZSA-N 426.442 5.253 30 20 IKED CCN(C(=O)CSCc1ccc(C#N)cc1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 497878857 JTHTZPGFQTUTSX-VWLOTQADSA-N 433.552 5.272 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)cc1C 498381424 BQOZWMNSOSZRAA-FQEVSTJZSA-N 430.552 5.359 30 20 IKED CCOCCOc1ccccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 499164289 LQHQYJLRGYTZLD-SFHVURJKSA-N 426.925 5.369 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NCCCC1(C#N)CCOCC1 499628172 WKVWMBPZRBKELK-OAHLLOKOSA-N 448.430 5.632 30 20 IKED CC(C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 503572907 QAYPJUCAUWWIPR-WPYKKVEZSA-N 437.971 5.265 30 20 IKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)Cc1ccc(C#N)cc1 504061224 SWGNVSITGPRTDK-UHFFFAOYSA-N 437.421 5.319 30 20 IKED N#C[C@@H](C(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1nc2ccccc2n1C(F)F 505419798 FIBZGSNSWJMLDC-NSHDSACASA-N 430.386 5.323 30 20 IKED C[S@](=O)c1ccc(NC(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1F 506676574 KYARAGJHVRRBTM-ONSXPEOJSA-N 442.356 5.007 30 20 IKED N#CC1(c2ccccc2)CCC(NC[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 507651266 DKPSEXPAAVAFIE-HRRASNIPSA-N 438.413 5.269 30 20 IKED COCCC[C@H](c1ccc(Cl)cc1)c1noc(CSCc2ccc(C#N)cc2)n1 508667643 UJOZNPRLILNBMA-HXUWFJFHSA-N 427.957 5.587 30 20 IKED Cc1ccc(Cc2nc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cs2)cc1 509852972 KJKFGILTXIVACZ-IBGZPJMESA-N 440.553 5.528 30 20 IKED N#Cc1ccc(-c2ccccc2)nc1SCc1nc(O)c2c(-c3ccco3)csc2n1 510171917 DVGYOEQBFNPKKZ-UHFFFAOYSA-N 442.525 5.883 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H]3CCOc4c(Cl)cccc43)c2)c1 510635422 ZIWYOMFWUYAWOY-NRFANRHFSA-N 446.894 5.109 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 517520922 YZSYGJWLXLQOBM-CQSZACIVSA-N 438.503 5.286 30 20 IKED CCc1c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)nnn1-c1cccc(Cl)c1 517566725 RBKDYIXKNUWLGI-CQSZACIVSA-N 442.331 5.236 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2nc(CN3CCCCC3)cs2)cc1 518034681 UEOWNIBDQTZILI-UHFFFAOYSA-N 436.512 5.184 30 20 IKED CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1=O 518140282 JSWLMOPQTVYGNS-CEXWTWQISA-N 435.593 5.443 30 20 IKED Cc1ccc(-n2nc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c3c2CCC3)c(F)c1 518661258 WGLDDXVTFJDFHW-MRXNPFEDSA-N 434.540 5.313 30 20 IKED CC(C)[C@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc2c(c1)OCCO2 518684591 HHWZFKQUFYBCNO-AOMKIAJQSA-N 425.554 5.228 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1Cl 520515378 XVLLNRADZCFMSC-QPPBQGQZSA-N 444.966 5.241 30 20 IKED COc1cccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1OC(F)F 521259510 QKTMKPJYTYLRSO-NSHDSACASA-N 436.386 5.188 30 20 IKED Cc1ccc(-n2cnnc2SCC(=O)Nc2ccccc2S[C@H](C)CC#N)c(C)c1 521720711 SHOANCJQWMDWDJ-QGZVFWFLSA-N 437.594 5.009 30 20 IKED Cc1nc(-c2cnn(C)c2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 522479517 CMYQYNCLVGGGEI-OAHLLOKOSA-N 439.953 5.119 30 20 IKED C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 523044869 LPZXMARHMVRAPS-KRWDZBQOSA-N 447.922 5.032 30 20 IKED COc1ccc2[nH]cc(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)c2c1 524405779 GPGUUEQJKZJHQK-UHFFFAOYSA-N 445.906 5.462 30 20 IKED COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CCC3)cc1 524634074 APRRQYNCXOLIBZ-NRFANRHFSA-N 446.576 5.819 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(Oc2ccccc2Cl)CC1 532827235 JAKFVCUVHSJGRE-QGZVFWFLSA-N 444.000 5.216 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 538675114 NESUWHMKKSCBOJ-UHFFFAOYSA-N 440.484 5.312 30 20 IKED Cc1ccc2nc([C@H]3CCCN(CC(=O)Nc4ccccc4S[C@@H](C)CC#N)C3)[nH]c2c1 539219376 HVNREDNVHAHQGQ-OALUTQOASA-N 447.608 5.084 30 20 IKED CC[C@H](C)Oc1cc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccn1 539698811 AXCVHTODGAMSIV-SFHVURJKSA-N 431.561 5.353 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(OC)c(OC3CCCC3)c2)cc1 542223105 ZDILAMCTQXAIPF-UHFFFAOYSA-N 434.536 5.083 30 20 IKED CCCCCNC(=O)C1CCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 543942957 LJKXEECTDWHWHD-FQEVSTJZSA-N 446.595 5.014 30 20 IKED C=C(C)Cn1c(SCc2nc(CSCc3ccccc3)no2)nnc1-c1ccco1 546451242 PFJRRGXUIQRAJP-UHFFFAOYSA-N 439.566 5.223 30 20 IKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)[C@H]1CCCC(F)(F)C1 548827136 PWJFIYGYWLAYLH-JTQLQIEISA-N 435.311 5.333 30 20 IKED COc1cccc(CN(C)C(=O)Nc2cc(C#N)ccc2C)c1OCc1ccccc1F 565259155 ZGHFUXLMAYSVLE-UHFFFAOYSA-N 433.483 5.257 30 20 IKED CCC(CC)(Cc1nc2ccccc2s1)C(=O)N1CCC(C#N)(c2ccccn2)CC1 568298496 VUTPWBANXGQNAZ-UHFFFAOYSA-N 432.593 5.124 30 20 IKED O=C(Nc1cccnc1C(F)(F)F)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 579057241 SVZUIEJZFMLQKF-NSHDSACASA-N 431.258 5.544 30 20 IKED CCc1ccc([C@@H](C#N)NC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 583699337 OGIIFMMWNCISFV-LJQANCHMSA-N 443.334 5.310 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)Nc3ccc(O[C@@H]4CCCC[C@H]4O)cc3)cc2)ccn1 589365822 XRJXQXUPSROOBS-DNQXCXABSA-N 444.491 5.072 30 20 IKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)[nH]c2c1C(=O)CC(C)(C)C2 591137525 WVWSEAQGXUWLIW-LJQANCHMSA-N 445.950 6.039 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(F)cc3Cl)s2)c(C(F)(F)F)c1 603756969 HMMOBRYVJIZMKE-UHFFFAOYSA-N 439.821 5.669 30 20 IKED N#CCc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccc3ccccc3c2)cc1 604565519 WBMHDNOOIUXDQY-RZFJZAQRSA-N 437.543 5.318 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl 607184885 DLBZBJYVAOIGOM-ZZPVQSCKSA-N 446.794 5.544 30 20 IKED COc1ccc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1Br 608918270 FGFQWWNGYLWUDM-HNNXBMFYSA-N 430.346 5.011 30 20 IKED Cc1ncc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)s1 609079768 ICNFKNADCDSUEW-UHFFFAOYSA-N 426.929 5.220 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1NC(=O)CNc1cccc(Oc2ccc(C#N)cc2)c1 609221237 MWSDBUCMDDPPRZ-UHFFFAOYSA-N 437.503 5.204 30 20 IKED COc1ccc(-c2nc(C(=O)Nc3sc4c(c3C#N)CCCCC4)cs2)cc1OC 609337932 GZWXVLBWMBARNR-UHFFFAOYSA-N 439.562 5.282 30 20 IKED Cc1ccc(Cc2nnc(NC(=O)c3ccccc3Sc3ccccc3C#N)s2)cc1 609381724 QFIYUWYGRLAIRR-UHFFFAOYSA-N 442.569 5.713 30 20 IKED N#C[C@@H](NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)c1cccc(Cl)c1Cl 609414501 VFNIABRANUJOFA-CXAGYDPISA-N 445.375 5.201 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1)O[C@H](C)C2 609460830 WABQLAUEDRMZMP-ZMQFRBSTSA-N 445.346 5.200 30 20 IKED N#Cc1ccccc1OC1CCC(Nc2ncc(C(=O)N3CCCCC3)cc2Cl)CC1 609513553 PKJFOPGFELKQTQ-UHFFFAOYSA-N 438.959 5.035 30 20 IKED N#CCCn1ccc(NC(=O)c2cccc(CSc3cc(Cl)cc(Cl)c3)c2)n1 610176276 BIQITAFFXXPIEV-UHFFFAOYSA-N 431.348 5.648 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1 611357718 JPGCIGZZKNATKO-PMACEKPBSA-N 435.524 5.030 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccnc2Sc2ccccc2)cc1 619209902 FIPNSXPJVBECKO-UHFFFAOYSA-N 429.545 5.299 30 20 IKED O=C(NCCCCOc1ccc(F)cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642671900 VAYLNBULGFMFOL-STQMWFEESA-N 444.391 5.193 30 20 IKED C=CCn1c(S[C@@H](C(C)=O)c2ccccc2)nnc1-c1ccc(Br)cc1 669935476 CDLPDUYECODLST-SFHVURJKSA-N 428.355 5.316 30 20 IKED O=C(Nc1ccc(OC2CCC2)c(F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 674025703 WOZRWCLUKBPDDP-QWRGUYRKSA-N 428.348 5.352 30 20 IKED CC1(C)C[C@H](NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ccc(F)cc2O1 675878686 CXPBSGVNJOOCLR-GYSYKLTISA-N 442.375 5.200 30 20 IKED N#C[C@H](C(=O)c1cnc(Oc2ccccc2)cn1)c1nc2cc(C(F)(F)F)ccc2s1 678641130 QDWZAOCVVXGARP-CQSZACIVSA-N 440.406 5.387 30 20 IKED COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 729035959 FUJWQVYFVLBTRT-VFNWGFHPSA-N 435.911 5.592 30 20 IKED N#C[C@@H](C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1nc2cc(F)ccc2s1 730416971 JMDZMZGQJNJJHJ-PMACEKPBSA-N 443.503 5.173 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C2CC2)cc1F 730533055 CXCKCPUUJVLAJU-IBGZPJMESA-N 445.947 5.219 30 20 IKED COc1cccc2cc(C=Nn3c(S)nnc3COc3c(Cl)cccc3Cl)oc12 730583727 JQEQXKPYYKRFHZ-UHFFFAOYSA-N 449.319 5.090 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1nc3cc(F)ccc3s1)O[C@H](C)C2 730695307 HFXOMECTWWNKDE-BGIURUKPSA-N 436.508 5.137 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F 731114696 VGKZAUFVZCLPTD-DNVCBOLYSA-N 433.499 6.326 30 20 IKED C[C@H](c1ccccc1)n1c(SCc2ccc(OCC#N)cc2)nc2ccccc2c1=O 731155952 CAFCQBKYGJWVHQ-GOSISDBHSA-N 427.529 5.200 30 20 IKED CCc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nnn1-c1cccc(Cl)c1 731453956 KDFDVPQEFGHFRV-JOCHJYFZSA-N 441.922 5.391 30 20 IKED Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(C)c1 732377123 AARVVORMSVFQHQ-LJQANCHMSA-N 428.488 5.346 30 20 IKED FC(F)SCc1ccc(C=NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)o1 733081476 ZOUDFHYNFSXFOC-UHFFFAOYSA-N 429.374 5.052 30 20 IKED N#Cc1ccc(NC(=S)Nc2ccc(Oc3ccnc4ccccc34)cc2)cc1Cl 733213365 SZLDASIKFCDZBC-UHFFFAOYSA-N 430.920 6.361 30 20 IKED C=CC[C@@H](NC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccncc1 734661413 MHSYBGIMSIYEDZ-GAJHUEQPSA-N 432.499 5.151 30 20 IKED N#CCSc1ccccc1C(=O)NCC1(c2ccc(Br)cc2)CCCC1 737982175 AQTLOKFCLBLZAL-UHFFFAOYSA-N 429.383 5.307 30 20 IKED CCOc1ccc(-n2c(Cc3ccccc3)nn(CN(CC#N)C3CCCC3)c2=S)cc1 738255875 CHUFBGYLTABRKH-UHFFFAOYSA-N 447.608 5.118 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 743224164 BEXQYVPIGGKXSG-SFHVURJKSA-N 436.556 5.588 30 20 IKED N#CCCCOc1cccc(/C=C2/SC(=S)N([C@H]3CCOc4ccccc43)C2=O)c1 743281624 CYKQWFNGYUQQIC-QTKYHAHDSA-N 436.558 5.094 30 20 IKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cccc(CSc2cc(C)ccc2C)c1 744030370 FODYJCWSQRGGRM-OAQYLSRUSA-N 444.556 5.566 30 20 IKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)c1 744936586 SYGVZQPCEQGZCW-AWEZNQCLSA-N 446.315 5.087 30 20 IKED Cc1nc(C2CCCC2)sc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2 745608022 CDSFGIDTFLIFDY-UHFFFAOYSA-N 443.594 5.107 30 20 IKED Cc1nc(Cl)sc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 748525294 NMZVNSCPRUWJTC-UHFFFAOYSA-N 442.875 5.295 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nc(Cc2ccccc2)no1 752637990 VKQAZRGDJKAVBI-MBSDFSHPSA-N 437.503 5.199 30 20 IKED CN(C(=O)c1ccc(Cl)c(C#N)c1)c1cccc(NC(=O)c2ccc(Cl)c(C#N)c2)c1 754143919 YQZCCUYLYRTVMG-UHFFFAOYSA-N 449.297 5.266 30 20 IKED COc1cccc([C@@H](C#N)NC(=O)c2cc(Cl)ccc2SC2CCCC2)c1OC 754408065 BNPKEDBSJVFDET-GOSISDBHSA-N 430.957 5.387 30 20 IKED CN(Cn1nc(-c2ccncc2)n(Cc2ccccc2)c1=S)c1cc(Cl)ccc1C#N 754762938 FKTGZVDSWWZJDP-UHFFFAOYSA-N 446.967 5.143 30 20 IKED N#Cc1cc(NC(=O)c2ccccc2SCc2cccs2)ccc1N1CCC(O)CC1 759254621 LJNJSYONQZMAKA-UHFFFAOYSA-N 449.601 5.125 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CNC2(c3ccc(F)cc3F)CCC2)c1=S 764123816 NCHVHJSTVZLDIO-UHFFFAOYSA-N 442.535 5.180 30 20 IKED CN(C)C(=O)c1cc(F)ccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 767153116 VRAFVPBJIQUHQK-UHFFFAOYSA-N 437.858 5.097 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(N2C(=O)N[C@@H](C[C@@H]3CCCc4ccccc43)C2=O)cc1 771906487 RNFLTVOESWMBFC-DFCKQENNSA-N 435.527 5.277 30 20 IKED O=C(/C=C\c1ccc(Cl)nc1)C(c1nc2ccccc2s1)c1nc2ccccc2s1 772636130 CDOIXCXZLTZVTQ-LUAWRHEFSA-N 447.972 6.369 30 20 IKED C=C(C)[C@@H](NC(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc(F)c(F)c1 776181915 KZJMVAONEBOAED-LBXVMSDZSA-N 437.531 5.059 30 20 IKED N#CC1(c2ccc(COC(=O)COc3ccc(C4SCCCS4)cc3)cc2)CC1 777139838 KBACWKBKHFBELS-UHFFFAOYSA-N 425.575 5.233 30 20 IKED N#C[C@@H](C(=O)NCc1ccccc1)C(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 780305423 KEQVJCFPMUJKBP-GOSISDBHSA-N 445.931 5.256 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)NC3(C#N)CCCCC3)cs2)cc1 783841987 IQLIZCPPERNVKW-UHFFFAOYSA-N 440.569 5.037 30 20 IKED CC[C@@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(COc2ccc(C)cc2C)o1)c1ccccc1 787044585 GNTOTDKFKBVSJQ-FCHUYYIVSA-N 430.504 5.065 30 20 IKED N#CCCn1cc(/C=C/C(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(-c2ccncc2)n1 788353599 HXWPLRRLBLVUOA-HWKANZROSA-N 430.817 5.427 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccnc(Oc2ccc(F)cc2F)c1 789402131 BMZIMGGMASPPJM-IBGZPJMESA-N 443.409 5.266 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 789720555 OEOFCFNHYWADCC-UHFFFAOYSA-N 444.572 5.105 30 20 IKED Cc1sc(Br)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1C 799308815 SXWLURMJNKKLEJ-SFHVURJKSA-N 425.351 6.035 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1=S 800864551 MTYKNRGRRRBARZ-KRWDZBQOSA-N 437.535 5.064 30 20 IKED O=C(c1cc(F)c(C(F)(F)F)cc1F)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 804464570 WZHYHTZQAFQHPT-MRVPVSSYSA-N 444.347 5.479 30 20 IKED N#C[C@@H](COC(=O)c1nc2ccccc2cc1Cl)Cc1cccc(Br)c1 810729893 RWNBUSKLDFBPPJ-AWEZNQCLSA-N 429.701 5.190 30 20 IKED C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N(C)c1ccc(C(C)C)cc1 812186680 YSDHZVHUZSADTC-UHFFFAOYSA-N 433.556 5.172 30 20 IKED CC(=NNc1c(F)cc(C(=O)NC2CC2)cc1F)c1sc(Cc2ccccc2)nc1C 814871921 OVFMKNZOYITEOW-UHFFFAOYSA-N 440.519 5.049 30 20 IKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1cccc(Oc2ccccc2)c1 839413350 AENJECAEVGXLML-UHFFFAOYSA-N 446.532 5.219 30 20 IKED C=CCOc1ccc(-c2nc(-c3ccc(CNC(=O)OC(C)(C)C)cc3)no2)cc1OC 904715630 HZOACTSZUOFFMC-UHFFFAOYSA-N 437.496 5.002 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OCC 915350166 KJZLVVCFEMKXBR-NTKDMRAZSA-N 443.547 6.022 30 20 IKED CC(C)[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc2c(c1)OCCO2 915351784 GHJHQLAJFBDYKG-BVAGGSTKSA-N 441.531 5.632 30 20 IKED C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=S)Nc1ccccc1C#N 915997004 QCTXQLSGPOXCQN-MRXNPFEDSA-N 426.010 6.103 30 20 IKED Cn1c([C@H](C#N)C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)nc2ccccc21 916843743 OCWRMRAXMBVGJR-GOSISDBHSA-N 432.430 5.408 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)c1 916896541 KDNJEEKNTVAUFK-GOSISDBHSA-N 425.510 5.003 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc2c(c1)Cc1ccccc1-2 916906169 OWDKTOLVRWGGHE-VWLOTQADSA-N 444.490 6.011 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)COc1ccc(-c2ccccc2)cc1Cl 916923752 SFUGFBTXHOLNOM-LJQANCHMSA-N 448.906 5.132 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCCSc2ccc(Cl)cc2)cc1Cl 916940411 MELGHKGKKHJWJN-INIZCTEOSA-N 437.348 5.222 30 20 IKED CCOc1ccc(OC(C)(C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916975937 GQMWZHPXIBFTEQ-IBGZPJMESA-N 440.952 5.896 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1nc(-c2ccccc2)cs1 917026146 WWGPBBCJLRIRBY-GOSISDBHSA-N 435.961 6.006 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2ncc(Cl)cc2Cl)cs1 917538617 OXMUUPZPFMDMHK-UHFFFAOYSA-N 440.743 5.629 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3nc(-c4ccc(F)c(C)c4)no3)n2)cc1 918491084 XMJQRNNVDRKWPN-SFHVURJKSA-N 446.507 5.425 30 20 IKED C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920142956 XUWQMJJDTNRLMZ-HRAATJIYSA-N 429.545 5.623 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cccc4ccn(C)c34)cc2)CCC1)C(F)(F)F 1789061783 SLOCTYQHARKGRJ-UHFFFAOYSA-N 441.453 5.045 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](CC)c2ccccc2)[C@@H]1c1cccnc1 1810171404 CXCRKHIQBWKZKE-QEGGNFSNSA-N 445.607 5.050 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C3CC3)cc2)[C@@H]1c1cccnc1 1811847317 GFOZGOIPUTYTQZ-CYXNTTPDSA-N 443.591 5.047 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(CCC)cc2)[C@H]1c1cccnc1 1812031790 YXVXWEQIBWYBDH-TWJOJJKGSA-N 445.607 5.122 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C)c(F)c2F)[nH]n1 1814830363 YBJQDBYKLVAJGY-IBGZPJMESA-N 442.510 5.071 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@]3(C)CC=CCC3)n[nH]2)c1 1822980466 HUMIDHNSNJYCHW-WTSFKKHRSA-N 445.567 5.089 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccsc2)CC1 1827102116 WDJUNWFBJHDSBB-QHCPKHFHSA-N 428.642 5.069 30 20 IKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1830542463 ZIQJZUHYDGZIAW-LJQANCHMSA-N 442.909 5.168 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1F)=C(/S)Nc1cc(C)cc(C)c1 10172597 LVMFVTOAXWZVCQ-UHFFFAOYSA-O 425.524 5.482 30 20 IKED Cc1ccc(-n2c(S[C@@H](C)C(=O)NC3(C#N)CCCCC3)nnc2-c2ccccc2)cc1 11196672 UQRMFFHGMSASTB-IBGZPJMESA-N 445.592 5.066 30 20 IKED Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1ccccc1Sc1ccccc1C#N 15806223 PIUPNMCIDFKWFX-GOSISDBHSA-N 430.529 5.510 30 20 IKED C=CCNC(=O)[C@@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccccc1 16719827 XRVGBZSIVQORBS-GOSISDBHSA-N 434.609 5.074 30 20 IKED C=C(C)CN/C(S)=C(/C(=O)c1ccc(C(C)(C)C)cc1)[n+]1ccc(C(CC)CC)cc1 22797067 LMYYISUNFZBALB-UHFFFAOYSA-O 437.673 6.280 30 20 IKED N#CCSc1ccccc1NC(=O)COC(=O)[C@H](Sc1ccccc1)c1ccccc1 22836689 IVBKBEVNLXPMMF-HSZRJFAPSA-N 448.569 5.318 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2ccccc2Br)n1 26142530 DIBPXJDJCSTYBM-SNVBAGLBSA-N 444.276 5.162 30 20 IKED C[C@H](OC(=O)CCc1ccc(C#N)cc1)C(=O)N1c2ccccc2Sc2ccccc21 28496492 YDCYDTGZZKLQSS-KRWDZBQOSA-N 428.513 5.252 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 63403574 VQWXZCMVJLYRHY-VWLOTQADSA-N 429.495 5.193 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1oc2ccccc2c1CSc1ccccc1F 64455473 BEYXUMFIENTOIJ-UHFFFAOYSA-N 432.476 5.997 30 20 IKED CCOc1ccc(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 147225216 MVQQZCJXWPXJGE-OAQYLSRUSA-N 426.925 5.195 30 20 IKED N#Cc1c(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)sc2c1CCCC2 247756613 WTUQBJPRZYCGNN-UHFFFAOYSA-N 443.572 5.143 30 20 IKED N#CCSc1ccccc1NC(=O)CN[C@H](c1ccccc1)c1cccc2ccccc12 261441898 ISJIQFLVOJHDLS-HHHXNRCGSA-N 437.568 5.773 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)c1 303129569 KAVWYRYDUJSAOF-UHFFFAOYSA-N 442.393 5.222 30 20 IKED N#C[C@H](NC(=O)CSc1nc2ccccc2s1)c1ccc(OCc2ccccc2)cc1 303211801 RHSBHTMKWANXMI-NRFANRHFSA-N 445.569 5.348 30 20 IKED COc1ccc(-c2cc(NC(=O)c3cccc(SCC#N)c3)ccc2OC(F)F)cc1 429940228 IHPPLVMUYZIGIG-UHFFFAOYSA-N 440.471 5.832 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1noc(Cc2ccccc2)n1 430531260 NIPOXVDSLAHWQE-GOSISDBHSA-N 438.487 5.010 30 20 IKED CN(C(=O)c1cc(C#N)c[nH]1)[C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 431421334 KKRMSOMKOFXXRY-IBGZPJMESA-N 428.717 5.164 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 432699227 NCMNLVUVZAJSCY-QRWLVFNGSA-N 431.458 5.500 30 20 IKED C=CCC[C@H](NC(=O)N1CCC[C@H]([C@H](O)C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 433894166 ACBIDVSHOIZTNV-XIRDDKMYSA-N 438.412 5.058 30 20 IKED CC[C@@](C)(NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1nc(C)cs1 437954212 KDQXWAGUZTULJK-HSZRJFAPSA-N 438.528 5.488 30 20 IKED C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 439365363 NMFDFBMUPLLKPH-XXKTVHSTSA-N 447.579 5.125 30 20 IKED CCCc1c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cnn1-c1cccc(C#N)c1 440071168 AHGWRNWJYOPFJY-UHFFFAOYSA-N 431.477 5.072 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(CCCO)[C@H]3CCc4ccccc43)cc2)cc1 444035253 RDHXDCNPKKOTIU-VWLOTQADSA-N 427.504 5.254 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)C1(c2ccc(C#N)cc2)CC1 444313264 HBOUPZNYFGXNNW-UHFFFAOYSA-N 429.907 5.443 30 20 IKED CCOC(=O)c1csc([C@H]2CCCN2CCC(C#N)(c2ccccc2)c2ccccc2)n1 444712791 XDHXMQGRKDHLAI-HSZRJFAPSA-N 445.588 5.357 30 20 IKED Cc1c(-c2noc(C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n2)oc2ccccc12 445496323 YRCVWPHXILIDLA-UHFFFAOYSA-N 441.447 5.295 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 460370598 QWIULMDATKLCNK-IGKWTDBASA-N 432.568 5.305 30 20 IKED C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(n2c(C)nc3ccccc32)CC1 460798798 XGISPNPXHABQEB-UHFFFAOYSA-N 440.595 5.253 30 20 IKED C=CCn1c(SCC(=O)NCc2ccc(C(F)F)cc2)nnc1-c1ccc(Cl)cc1 463098663 YXESVVMEZDVLJM-UHFFFAOYSA-N 448.926 5.131 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)s2)cc1OC 464943685 MQTFVOPQMHDCRD-WOJBJXKFSA-N 447.560 5.048 30 20 IKED O=C(N[C@@H]1CCSC1)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 468011585 LCLKGAZNUDJLNO-GHMZBOCLSA-N 440.331 5.132 30 20 IKED Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1C 470536066 APUNUGBLCDTIDH-QHCPKHFHSA-N 430.552 5.255 30 20 IKED Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c(Br)s1 471185967 FPQJDXDCLRFOCL-UHFFFAOYSA-N 440.322 5.195 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Cc2csc3ccc(Br)cc23)cc1 471626975 SMDSXAIOWDWHSH-UHFFFAOYSA-N 444.354 5.153 30 20 IKED N#CC[C@H](CC(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1)c1ccccc1 474913522 YEULHUZQOARRLF-VWNXMTODSA-N 429.589 5.051 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCOC[C@H]1c1noc(-c2ccccc2)n1 475556343 PQXVGTKKVZLXGS-NRFANRHFSA-N 432.524 5.194 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 475567740 XXKRKVHIQIXXDR-DEOSSOPVSA-N 446.570 6.827 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 475587832 WJZIQIDZLKHDNO-AHWVRZQESA-N 431.624 6.057 30 20 IKED N#CC[C@H](CC(=O)Nc1nnc(-c2cc(Br)ccc2F)s1)c1ccccc1 475763185 XRJGOBNCGZQKEY-CYBMUJFWSA-N 445.317 5.133 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 476434634 OMSIRLVOTDXHBZ-UHFFFAOYSA-N 443.444 5.267 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 480658969 LQFITYDUDXCBCH-HOYKHHGWSA-N 429.520 6.044 30 20 IKED C[C@H](O)[C@@](C)(CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)Cc1ccccc1 482191708 HVRYCTPDJWQJAW-CCLHPLFOSA-N 444.600 5.210 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1nc2ccccc2n1CCCn1ccnc1 485384829 RGBXXXDWZNXVKJ-UHFFFAOYSA-N 446.514 5.114 30 20 IKED C=CC[C@@H](C(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1)c1ccccc1 488970379 FKFWCYNWRXYNDF-MRXNPFEDSA-N 441.318 5.334 30 20 IKED CC(C)c1oc([C@@H]2CCCN2S(=O)(=O)c2ccc(C#N)c(F)c2)nc1-c1ccccc1 489551506 LXGILVMQQVUOGJ-FQEVSTJZSA-N 439.512 5.002 30 20 IKED COc1ccccc1[C@@H](N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccco1 489745952 WMCBCUFBHXLBEL-QMHKHESXSA-N 449.576 5.196 30 20 IKED N#CC1CCC(CNC(=O)NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)CC1 490321069 IIYVAOFICLBDSL-MTNXOHHFSA-N 425.960 5.227 30 20 IKED CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)Cc1cc(C#N)ccc1Br 492752705 XEZYLMIHQZHZTH-UHFFFAOYSA-N 445.748 5.435 30 20 IKED Cc1c(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)oc2c1ccc1ccccc12 501703308 WISFMTBMNISJMJ-UHFFFAOYSA-N 437.499 5.257 30 20 IKED CC(C)(C)n1ccnc1SCC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 503092021 ISGWMOHKIFRDIK-UHFFFAOYSA-N 434.565 5.014 30 20 IKED O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cc(O)nc2cc(F)ccc12 505372627 LVBWXERGXQOSHJ-INIZCTEOSA-N 432.295 5.132 30 20 IKED N#C[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc(Cl)c(Cl)c1 505980545 BUIYJDRPPBZWKB-KRWDZBQOSA-N 436.245 5.240 30 20 IKED Cc1sc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)c(C#N)c1C 506566785 ZUDFKJAPSVAICD-CQSZACIVSA-N 436.364 5.034 30 20 IKED C=CCN(C(=O)C[C@@H](C)C1CCCCC1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 508778678 NLJZJKINXRBNEU-QGZVFWFLSA-N 446.638 5.339 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1csc(Br)c1 510620453 VBBWCUYZYCUUPO-UHFFFAOYSA-N 442.338 5.805 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1 510823884 HPVXTPNWZRMAGY-HFZDXXHNSA-N 441.531 5.948 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@@]4(CCc5ccccc54)C3)cc2)c1 510836188 HDGKRIJXTLLMIN-SANMLTNESA-N 425.488 5.056 30 20 IKED CC(C)Cn1ncc(C(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c1C(F)F 511738246 FQLCYQJRHAIJKR-CQSZACIVSA-N 441.347 5.112 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2cccc(OCc3cscn3)c2)c1 513280060 VTAQIRRRBCTDPK-UHFFFAOYSA-N 441.512 5.425 30 20 IKED CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 516431136 LKHBMJGYXDGTNR-HSZRJFAPSA-N 445.950 5.025 30 20 IKED N#Cc1c[nH]c2ccc(OC(F)F)cc2c1=NCc1cccc(COCc2ccco2)c1 517582799 PFYKSDBMWXBCQD-UHFFFAOYSA-N 435.430 5.052 30 20 IKED N#Cc1ccc(-n2c(SCc3ncc(-c4cccs4)o3)nc3ccccc3c2=O)cc1 518789148 CJVWDZGSUNSYIA-UHFFFAOYSA-N 442.525 5.266 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ccccc2F)n1)c1nc(-c2c(F)cccc2F)cs1 518872873 FERTXLQBDAJROP-GFCCVEGCSA-N 441.459 5.841 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C1=Cc2cc(Br)ccc2OC1 519424726 BQMREFXIJRJKAN-CYBMUJFWSA-N 429.339 5.115 30 20 IKED CC(C)OCc1c(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)oc2ccccc12 520365282 FJVSGMWCTPAXFC-UHFFFAOYSA-N 432.520 5.349 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCCc1ccc(F)c(Br)c1 520855070 BONYTHRSMIMFKJ-ZDUSSCGKSA-N 436.350 5.204 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 521259126 ILOGUQBZTVIZSO-LAUBAEHRSA-N 443.016 5.550 30 20 IKED C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 521800067 GDOQQQFECGJCFK-LLVKDONJSA-N 434.892 5.554 30 20 IKED CC(=O)Nc1cccc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 522325659 TUXLLZBLHDTGHR-SFHVURJKSA-N 444.510 5.129 30 20 IKED C[C@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1nc2ccccc2n1C(F)F 523590910 JXVKRBHLNAONJR-INIZCTEOSA-N 431.446 5.109 30 20 IKED CCC(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 523696025 LRDURHMIMPJQJM-UHFFFAOYSA-N 444.491 5.029 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(F)ccc2OCC(F)(F)F)o1 530976554 CMNNISVZEKUWNN-UHFFFAOYSA-N 434.345 5.063 30 20 IKED CC(C)Cn1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)c(C(F)F)n1 534953546 SSAGBGHZBZGNIK-UHFFFAOYSA-N 426.492 5.752 30 20 IKED Cc1c(NC(=O)c2ccc(Cl)c(C#N)c2)cccc1C(=O)N1CCc2sccc2C1 537167132 SKGUEACLNAQUDT-UHFFFAOYSA-N 435.936 5.032 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2cccc(COCCc3ccccc3)c2)C2CC2)cc1 541421919 QGQHOMPKWBOTFU-UHFFFAOYSA-N 425.532 5.514 30 20 IKED C[C@H](NC(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccc(-c2cccc(C#N)c2)cc1 542929488 CAZJETCPAQTTNG-SFHVURJKSA-N 435.483 5.562 30 20 IKED C[C@H](NC(=O)N1CC[C@@H](n2ncc3ccccc32)C1)c1ccc(-c2cccc(C#N)c2)cc1 543018053 UAKAQPMOQDLALM-UQBPGWFLSA-N 435.531 5.293 30 20 IKED CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cc(C#N)ccc1NC 552246868 QNLKVSIMXUELIN-UHFFFAOYSA-N 429.307 5.767 30 20 IKED Cc1nc(COc2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)c2)cs1 554865993 TTZCNGDYOHXVOO-HXUWFJFHSA-N 431.542 5.644 30 20 IKED N#CCCC[C@H](NC1CCN(Cc2ccccc2Br)CC1)c1ccccc1 559865254 YJKIYISNUTWESM-QHCPKHFHSA-N 426.402 5.438 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1c[nH]c2ccccc12)C(F)(F)F 562168834 TYAYKFVICJSMIV-BFUOFWGJSA-N 432.471 5.845 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(C4CCOCC4)CC3)c2)cc1 563675458 VVNXVEMGTOXMQW-UHFFFAOYSA-N 433.552 5.002 30 20 IKED COCC[C@](C)(C#N)NC(=O)c1oc2ccccc2c1CSc1ccccc1Cl 567960349 FKNFYXYCHFBGKM-JOCHJYFZSA-N 428.941 5.427 30 20 IKED Cc1cc(SC2CCCCC2)ccc1NC(=O)N1CCN(c2cnccc2C#N)CC1 574954060 WHZBUTWXKUOJMO-UHFFFAOYSA-N 435.597 5.041 30 20 IKED C[C@@H](NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1nc(C(C)(C)C)cs1 581841369 GNVQCSIYJYPNQR-OAHLLOKOSA-N 445.032 5.450 30 20 IKED CN(C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1)c1ccccc1 591861685 AVQPYDJVIORLLR-LJQANCHMSA-N 445.931 5.716 30 20 IKED COc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)cs2)cc1OC 592974606 VFKLVDOUGRJKEA-ZDUSSCGKSA-N 439.493 5.066 30 20 IKED C=CCc1ccc(OCC(=O)N2CCC(c3nc(-c4ccccc4)cs3)CC2)c(OC)c1 599362267 NCHKTCWXYCWXDZ-UHFFFAOYSA-N 448.588 5.332 30 20 IKED COc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1OCc1cccc(C(F)(F)F)c1 603633266 KEJBJQDAEGVDEZ-KRWDZBQOSA-N 440.465 6.015 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 603758897 NKDNNZMZZGKBLB-QFIPXVFZSA-N 431.948 5.739 30 20 IKED CN(Cc1cccc(Br)c1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604085820 BKHMSVMHAOIXIR-UHFFFAOYSA-N 437.297 5.172 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC3CCN(Cc4ccc(F)cc4)CC3)cc2)cc1 604461332 BKGJDBFSKLZVNR-UHFFFAOYSA-N 444.510 5.276 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(CCC#N)Cc1cccnc1 604530073 HVIVIVCTJJRSLO-UHFFFAOYSA-N 430.455 5.088 30 20 IKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[C@@H](C#N)c3nc4cccc(C)c4[nH]3)cc12 605363540 IDNMQNIAJBFPLN-OAHLLOKOSA-N 445.935 5.724 30 20 IKED C[C@H]1c2c(F)cccc2CCN1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 606641869 AWNOKBBVORKVJJ-SCUASFONSA-N 426.376 5.364 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccn(-c2ccccc2F)n1 609061803 YKIGIPYIVWCIAF-UHFFFAOYSA-N 426.451 5.023 30 20 IKED Cn1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(-c2ccncc2)n1 609164527 PYNRSWACQPNQSQ-FQEVSTJZSA-N 427.895 5.043 30 20 IKED CC1CCC(OC2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)CC1 609399027 DSSOTKKUNUXRLK-UHFFFAOYSA-N 433.552 5.942 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(Br)cc3F)c2)c1 609643006 VFLOPIHFKHMZBG-UHFFFAOYSA-N 425.257 5.291 30 20 IKED Cc1ccc(C[C@@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2ccccn2)cc1 609652658 GPWIMHFFZOAYIG-RUZDIDTESA-N 437.499 5.148 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCSC[C@@H]3c3ccc(Cl)cc3)cc2)nc1 609700168 IFTZZBKPJQEAFX-OAQYLSRUSA-N 435.936 5.329 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)Nc3ccc(O[C@H]4CCOC4)cc3)c2)cc1 610093427 JSXCSAKDYQFEOH-VWLOTQADSA-N 443.503 5.143 30 20 IKED Cc1cccc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)o2)c1 610859284 AGLQOHYQOBAPNA-UHFFFAOYSA-N 435.553 5.181 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4cc(Br)ccc4o3)n2)cc1 613318207 PHHUBBXDZMYVJF-INIZCTEOSA-N 437.318 6.117 30 20 IKED C[C@]1(C#N)CCCN(C(=O)Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)C1 614942467 GEMJTYKTHUKUAQ-OAQYLSRUSA-N 426.929 5.900 30 20 IKED C=CCNC(=O)Nc1ccc(N[C@@H](C(=O)Nc2ccccc2OCC)c2ccccc2)cc1 630026117 DFDXEQUPBMCHAI-XMMPIXPASA-N 444.535 5.185 30 20 IKED Cc1ccnc2sc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c(C)c12 683806124 DFMJXWGYJSHBLT-GFCCVEGCSA-N 431.464 6.032 30 20 IKED C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC2(CCOCC2)CC1 685538249 RHHLSATUURMCJM-UHFFFAOYSA-N 444.579 5.107 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1CCN(C(=O)OCC(C)C)CC1 726145939 NKGVDNFKPJYVHJ-UHFFFAOYSA-N 435.524 5.102 30 20 IKED C#Cc1cccc(NC(=S)NC[C@@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)c1 726438588 BBIZEJKEFDZBJH-DEOSSOPVSA-N 438.600 5.334 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C/c3csc(-c4ccsc4)n3)SC2=S)cc1Cl 726627452 QLIQOAUAZIPUKD-WCSRMQSCSA-N 446.003 5.802 30 20 IKED C[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCC2 727926313 CMDURHYFFAGGAY-ZLKJLUDKSA-N 449.359 5.089 30 20 IKED COc1cccc(OCc2nnc(S)n2N=Cc2cccc(-c3ccccc3C)c2)c1 729635294 MKNVDLYYLYWUQG-UHFFFAOYSA-N 430.533 5.012 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3cc(Br)cs3)n2)cc1 730691165 GYIUAYUBMUFEPE-MRXNPFEDSA-N 447.379 5.452 30 20 IKED CN(Cc1ccccc1)c1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 731977767 VMJPUAGCYLCBRO-UHFFFAOYSA-N 434.499 5.634 30 20 IKED CC(=O)C1=C(c2ccc(C)cc2)NC(=S)N[C@H]1c1ccc(Oc2cccnc2)c(C)c1 732748007 XNENGWWCMZEJGX-DEOSSOPVSA-N 429.545 5.010 30 20 IKED C#CCN(C(=O)Nc1ccccc1OC(C)C)[C@H]1CCOc2ccc(Br)cc21 733621144 GXYUPZNPOJJYSY-IBGZPJMESA-N 443.341 5.227 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1 733622756 YTARIWYJOAXCQI-JWQCQUIFSA-N 427.504 5.544 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(N3CCCCCC3)cc2)ccc1OC 733654730 TZBZMHYIYCGHQD-QFIPXVFZSA-N 436.556 5.078 30 20 IKED CCCOc1nc2ccccc2cc1/C=C\C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 734082939 JOAZAKLAEKVRHK-AQWUKCDYSA-N 440.528 5.432 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 735209622 YWMSWALZRGKJHZ-NRFANRHFSA-N 429.863 5.274 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(Cl)ccc1OCC#N 735319303 YQBLDHNIUJEFGY-OAHLLOKOSA-N 445.997 5.366 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)CCc3ncc(-c4ccccc4Cl)o3)c2)s1 739589603 CLNRZNBJHWFGOU-UHFFFAOYSA-N 447.947 5.844 30 20 IKED COC(=O)[C@H](N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C)c1ccc(C#N)cc1 739994994 OLFCIADBOMIUBW-ORAYPTAESA-N 425.941 5.209 30 20 IKED C[C@@H](OC(=O)c1c[nH]cc1-c1ccc(Cl)s1)C(=O)Nc1sc2c(c1C#N)CCC2 744832600 QNYUJHXCOBATAG-SNVBAGLBSA-N 445.953 5.002 30 20 IKED Cc1nc(C2CCCC2)sc1C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 745608382 BKZBRMAQVFJQST-AWEZNQCLSA-N 443.594 5.299 30 20 IKED N#CCC[C@H](NC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1)c1ccccc1 748593405 IOOFVQHAJWXNQY-DEOSSOPVSA-N 447.583 5.058 30 20 IKED N#CCCN(Cn1nc(-c2ccccc2F)n(Cc2ccccc2)c1=S)CC(F)(F)F 749955311 JBCSINLURUNUGK-UHFFFAOYSA-N 449.477 5.004 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 751062788 GSMLGBLMNOHCCT-UHFFFAOYSA-N 446.975 5.161 30 20 IKED Sc1nnc([C@@H]2CCCCO2)n1N=Cc1nc(-c2cc(Cl)ccc2Cl)cs1 755753691 IVYRTXCGKICARZ-AWEZNQCLSA-N 440.381 5.121 30 20 IKED CC[C@@H](C#N)Oc1cc(CNCc2cn(-c3ccc(C)cc3)nc2C(C)(C)C)ccc1OC 759281215 HVWSCJKLDOSKOT-QHCPKHFHSA-N 446.595 5.458 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccc(N3CCOC3=O)cc2)cc1Cl 761381493 LZORZAOQEYEBGI-UHFFFAOYSA-N 433.851 5.213 30 20 IKED CC(C)c1ccc(CSc2nnc(SC[C@@H](O)c3ccc(C#N)cc3)s2)cc1 763233928 XRPVIFMGGVVXNK-LJQANCHMSA-N 427.620 5.651 30 20 IKED C=CCn1c(-c2cccs2)nn(CN(C)[C@H]2CCCc3nc(CC)sc32)c1=S 765075266 DQHFQHCFXYRQIJ-HNNXBMFYSA-N 431.656 5.314 30 20 IKED CC(C)(C)OC(=O)N1CCC(CC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)CC1 765915989 NMMWGQIINLZGHC-HNNXBMFYSA-N 433.961 5.163 30 20 IKED CCN(C(=O)Cc1ccc(NCc2ccc(N(C)CCC#N)cc2)cc1)c1ccccc1 770522608 FQJMWQDTKKCKAN-UHFFFAOYSA-N 426.564 5.244 30 20 IKED C=C(C)[C@H](NC(=O)N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)c1ccc(F)c(F)c1 776181313 INUFXULGGWFZED-APZTZJSISA-N 449.542 5.154 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 778009561 GNRGFTZWHFDIDH-ZDUSSCGKSA-N 446.498 5.082 30 20 IKED C[C@@H](C#N)Oc1ccccc1NCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 779743094 PXZCNLUHHRWJAH-NSHDSACASA-N 431.336 5.066 30 20 IKED COc1ccc(-c2cc(C(=O)Nc3ccccc3O[C@@H](C)C#N)nn2-c2ccccc2)cc1 780147285 FKPXYBTXKKZZSQ-SFHVURJKSA-N 438.487 5.091 30 20 IKED Cc1ccc(-c2cc(C(=O)Nc3ccccc3O[C@@H](C)C#N)c3cnn(C(C)C)c3n2)cc1 780154212 NXBXUTRBCPWIRE-SFHVURJKSA-N 439.519 5.531 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2ccccc2O[C@@H](C)C#N)ccc1OCCC(C)C 780670266 JZABUGFURORGDS-ZWKOTPCHSA-N 425.529 5.294 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccsc2)N(Cc2ccsc2)C1=O)Nc1ccc(F)cc1 790743766 WYEJXOOTFPLWCF-KRWDZBQOSA-N 445.566 5.109 30 20 IKED O=C(/C=C\c1nc2ccc(Br)cc2s1)c1nc(Br)ccc1F 794965117 NKJUSPKAYMEXCE-XQRVVYSFSA-N 442.107 5.252 30 20 IKED N#C[C@@H](C(=O)Cc1csc2ccc(Br)cc12)C(=O)Nc1ccccc1Cl 796630072 AUWCESRCXRREHD-AWEZNQCLSA-N 447.741 5.207 30 20 IKED CC(=O)N(c1nc(COC(=O)c2cc(C#N)ccc2Cl)cs1)c1ccc(C)cc1C 803835304 KJRCFKJWIZSFDU-UHFFFAOYSA-N 439.924 5.327 30 20 IKED O=C1/C(=C/c2csc(-c3cccc(Br)c3)n2)C[C@@H](C(=O)O)c2ccccc21 806561440 VJUCLNUCJCUKHZ-FHLIRTJZSA-N 440.318 5.411 30 20 IKED CC(C)(C)OC(=O)NCc1cccc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1 810822306 WDHYJOSCXCYBFX-UHFFFAOYSA-N 444.491 5.023 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1cn(C)nc1C(F)F)C(=O)c1ccccc1 812241173 DZQPUJZQNUUKHF-ZHZULCJRSA-N 437.490 5.388 30 20 IKED O=S(=O)(Nc1ccc(Cl)cc1)c1cccc(N=Cc2cc3ccccc3nc2O)c1 912773351 LQDBLACIYXTARF-UHFFFAOYSA-N 437.908 5.145 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 915200041 TVDGCBCBTSSBPG-WIOPSUGQSA-N 438.531 5.225 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 915351790 GJGOWJWFPFWMIU-PKTZIBPZSA-N 430.577 5.362 30 20 IKED CCN(CC)Cc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915351826 HAYSJEVEVUSLOU-AREMUKBSSA-N 426.564 5.506 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc(OC)c1OC 915359047 JUDKAIXIXDHQTJ-VGOFRKELSA-N 445.519 5.251 30 20 IKED Cc1cccc(-c2nnc(SCCCOc3ccc(C#N)cc3)n2Cc2ccco2)c1 915792983 CZCVZZUNSUWZIM-UHFFFAOYSA-N 430.533 5.328 30 20 IKED C=CCNC(=S)/C(=C(/O)c1ccc(-c2ccccc2)cc1)[n+]1ccc(C(CC)CC)cc1 916202740 WHIZWLBCVNDLHE-UHFFFAOYSA-O 443.636 6.532 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 916883043 FZSQCKLESDWVFF-AWEZNQCLSA-N 447.444 5.085 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(C)cc2)n1 916901409 HKIDQGBWEIXIDF-HNNXBMFYSA-N 439.924 5.050 30 20 IKED C[C@@H](Sc1ccc(Br)cc1)C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 917026277 DGDFTHZWYOXOIG-DYVFJYSZSA-N 443.391 5.930 30 20 IKED Cc1ccc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(-c3ccccc3)cc2)c1 917613199 MQUVJAHJVKWLJR-UHFFFAOYSA-O 448.571 6.145 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(C3CCCC3)C2=O)c1 917702760 IYRYWGIFKYTZOM-QFIPXVFZSA-N 446.576 5.078 30 20 IKED Cc1c(Cl)cccc1C(=O)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1 1785951094 RYOKQRAPQDPBLA-JFLMPSFJSA-N 449.938 5.108 30 20 IKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3oc4ccccc4c3C)CCC2)cc1 1786372046 UAKJWEQJCPIBMQ-GOSISDBHSA-N 432.520 5.080 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCc3ncccc3OC)cc2)CCC1 1786823084 RBXALFLRUCPZNL-UHFFFAOYSA-N 449.595 5.149 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C(F)(F)F)c[nH]3)cc2)CCC1 1788721169 IAHDQRGQQWISQH-IBGZPJMESA-N 445.485 5.550 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc4ccsc4[nH]3)CCC2)cc1)C(F)(F)F 1791304853 OBUWYNAZJGIERL-UHFFFAOYSA-N 433.455 5.096 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccoc3C(F)(F)F)CCC2)cc1 1791727525 UZFQLSOEALOWGL-UHFFFAOYSA-N 432.442 5.240 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(F)cc1C(F)(F)F)C2 1792573876 IOYPKUPHJWNMBA-BJWYYQGGSA-N 440.481 5.089 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc(-c3ccccc3)s1)C2 1798592654 UZIPVIDQDJJIGK-ACDBMABISA-N 437.609 5.054 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)CCCCC)[C@H]1c1cccnc1 1810502330 HBTHUZUYLQTJOF-PUHATCMVSA-N 427.633 5.296 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3ccoc23)[C@H]1c1cccnc1 1812230395 PSQWNVDCFJBHKR-JTHBVZDNSA-N 445.563 5.140 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(Cl)c2)[nH]n1 1819307108 ALRMNGZRXHNCJY-UYAOXDASSA-N 426.948 5.137 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)noc2CCC)CC1 1823752742 XXRVVDCOCZYXKJ-OAQYLSRUSA-N 443.632 5.161 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 1828822633 KYXOWRHSSGSCKM-RPWUZVMVSA-N 443.031 5.271 30 20 IKED CCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2cccc(OC)c2)cc1 11259449 BHRVQQFZWLEYSY-UHFFFAOYSA-O 425.961 5.249 30 20 IKED CCc1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2cc(C)ccc2C)cc1 22729608 CFXXYDCEGINORR-UHFFFAOYSA-O 434.541 5.112 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)NCCc2ccccc2)c1 22735446 GIBOYQKXJKABAF-UHFFFAOYSA-O 431.625 5.351 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(C3CC3)n2-c2ccccc2)c1 23513310 FXNZCFHGVMJREJ-LJQANCHMSA-N 445.592 5.189 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 58432044 JVNYAZMEROZYGK-UHFFFAOYSA-N 427.932 5.214 30 20 IKED Cc1oc2c(CN(Cc3ccc(C#N)cc3)C(C)C)c(O)ccc2c(=O)c1-c1ccccc1 109403920 IXDCYUBNVYYMNN-UHFFFAOYSA-N 438.527 5.756 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(COCC(F)(F)F)cc1 303387023 NXNGKPRPKKRZLZ-HNNXBMFYSA-N 437.487 5.339 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)cc1 303432921 GGYJRCFOZQQGLF-JKSUJKDBSA-N 427.253 5.560 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cccc(NC3CCCC3)c2)CC1 409552334 KJOUMJPOHQJNRM-UHFFFAOYSA-N 445.523 5.016 30 20 IKED N#Cc1c(NC(=O)C2(c3ccccc3Cl)CCOCC2)sc2c1CCCCCC2 409806243 SMCYRJLRRMTRQR-UHFFFAOYSA-N 428.985 5.619 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4ccncc4)CC3)cc2Cl)cc1 429452750 MACPGJCKTDOPAA-UHFFFAOYSA-N 432.911 5.810 30 20 IKED CCCc1c(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cnn1-c1ccccc1C 429701985 XPRXYDMPOQCQKM-UHFFFAOYSA-N 425.536 5.326 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)cc1 432696049 AMZSRBBYXBSERJ-KRWDZBQOSA-N 426.358 5.347 30 20 IKED CCCc1c(NC(=O)Nc2cc(-c3cccnc3)ccc2C)cnn1-c1cccc(C#N)c1 432793532 QHDJGSPFKCEDPJ-UHFFFAOYSA-N 436.519 5.711 30 20 IKED CC(C)[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1cccnc1 435544988 HNBMFILTNRNXBJ-VWLOTQADSA-N 430.527 5.244 30 20 IKED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 436342697 VFMBERSTEGJBKD-JXFKEZNVSA-N 447.457 5.060 30 20 IKED C[C@@H](SCc1nc(CC(F)(F)F)no1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 437268946 QCOCFVPOZAQVKU-SSDOTTSWSA-N 438.315 6.206 30 20 IKED C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1=O 437481536 BCTGUFUXSKOBJQ-PXNSSMCTSA-N 443.478 5.038 30 20 IKED CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)[C@H](C)c1cccc(O)c1 437899591 SKEZUTDHEFDOFC-MRXNPFEDSA-N 435.911 6.325 30 20 IKED COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1cc(C#N)ccc1OC)CCO2 438206205 BYNPBAQGBYJXKD-HSZRJFAPSA-N 443.503 5.133 30 20 IKED Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)c1ncc(C#N)cc1Cl 439246902 NRFQWVWVFPPWKF-UHFFFAOYSA-N 447.901 5.904 30 20 IKED Cc1ccnc(Oc2ccc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)cc2)n1 440798581 KFKKJIGYWFLQRV-UHFFFAOYSA-N 436.471 5.280 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)Nc1ccc(CCC(F)(F)F)cc1 441345548 HNTAAFHCUOOCAT-CQSZACIVSA-N 435.471 5.153 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)cc1 442536114 CUAJNQXMZWDWGS-INIZCTEOSA-N 447.922 5.045 30 20 IKED Cc1ccccc1C[C@H](C)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 445244025 YQYBRGYIGGFHRJ-IBGZPJMESA-N 426.520 5.214 30 20 IKED N#C[C@@H](NC(=O)CCC(=O)c1cc(Cl)sc1Cl)c1ccc(Br)cc1 445691664 RMHJEZZGLGJOQB-GFCCVEGCSA-N 446.153 5.161 30 20 IKED C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC=C(c2ccccc2C(F)(F)F)CC1 460773895 MDNJKIWUHUZAHA-UHFFFAOYSA-N 439.485 5.153 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(CCCc3ccccc3)o2)c1 463219582 QALQQNWQSCLZSF-FQEVSTJZSA-N 448.592 5.289 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3ccccc3C)no2)nc2sc(C)c(C)c2c1=O 466619869 RSCCAZNJKIDZEZ-HNNXBMFYSA-N 438.578 5.473 30 20 IKED C[C@H](CC(C)(C)c1ccccc1)NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470543894 ZDKMUBOCSWOXAT-LJQANCHMSA-N 432.568 5.147 30 20 IKED CCC(CC)(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Cl)cc1 470776325 GZPWPFAFPLKPAZ-UHFFFAOYSA-N 437.971 5.619 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC1CCN(C2CCCCC2)CC1 473636367 DYMBJVXXQXTTFT-UHFFFAOYSA-N 446.595 5.364 30 20 IKED COC(=O)c1ccoc1CSc1ccccc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 474434510 QZLGTTUEMZUHAU-INIZCTEOSA-N 440.546 5.428 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C(=O)Nc1cccc(COCc2ccco2)c1 475161340 HZTUEBMQVNGJSK-UHFFFAOYSA-N 432.520 5.426 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 475547654 KOLBPESADXTWJW-GOSISDBHSA-N 440.975 5.470 30 20 IKED C=C(C)[C@@H](NC(=O)C(=O)Nc1ccccc1COC(C)(C)CC)c1ccc(F)c(F)c1 477642960 OWWZKGHTMOZFPB-OAQYLSRUSA-N 430.495 5.042 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(O)(Cc3ccc(F)cc3)CC2)cc1 479267394 TXIYCQIPKAJVFG-UHFFFAOYSA-N 446.547 5.058 30 20 IKED C=CCC[C@H](N[C@H](C)c1cc(S(N)(=O)=O)c(C)cc1C)c1ccc(C(F)(F)F)cc1 479426538 XJQHXGGOQWLHBS-UZLBHIALSA-N 440.531 5.328 30 20 IKED N#Cc1nc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)c(Cl)c2)[nH]c1C#N 479686248 FFANBCOJOZTHFH-UHFFFAOYSA-N 432.654 5.158 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cccc(OC(F)F)c3)cc2F)c1 481683887 IAHDOWXCYKGAJJ-UHFFFAOYSA-N 441.409 5.199 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)CCCOc1ccccc1Br 482165876 SUCOCTLNURQQCB-UHFFFAOYSA-N 439.309 5.306 30 20 IKED Cc1c(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cccc1N1CCNC1=O 487645767 XKTHINZAXKQBRR-UHFFFAOYSA-N 446.894 5.094 30 20 IKED C[C@H](Sc1nc(C(F)(F)F)ccc1C#N)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 488753018 PVQHNEYBHMIAMU-QMMMGPOBSA-N 445.253 6.182 30 20 IKED CC(C)c1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)o2)cc1 488806829 VOQWCJGKHVTZIK-ZDUSSCGKSA-N 438.578 5.401 30 20 IKED C=C(C)Cn1c(S[C@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)nnc1-c1ccncc1 489385768 FQPRAGBIDQRBEY-ZWKOTPCHSA-N 435.597 5.549 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(=O)CCC)cc2)nnc1-c1cccs1 489409029 XAPMJSUSHSABRU-OAHLLOKOSA-N 440.594 5.295 30 20 IKED CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cc1 490494144 BXYBPCRTVPZHTM-UHFFFAOYSA-N 427.504 5.217 30 20 IKED COc1cc([C@@H](C)NCc2cc(C#N)ccc2Br)ccc1OC1CCCC1 492743863 GWWLZKQTWOFJEI-OAHLLOKOSA-N 429.358 5.502 30 20 IKED CC(C)(CCC#N)CNC(=O)N[C@H](c1cccc(F)c1)c1cccc(Br)c1 499740370 KDKGJAYEJBSOOJ-IBGZPJMESA-N 432.337 5.307 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)cc1 502264284 GFZKYCPQWINBBG-UHFFFAOYSA-N 432.528 5.006 30 20 IKED Cc1noc(C)c1COc1ccccc1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 502374420 NXJIGFATQGVNTB-UHFFFAOYSA-N 430.489 5.118 30 20 IKED Cc1cn2c(n1)[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)CCC2 506109784 YMTDMVLYVFVNBO-RXVVDRJESA-N 433.943 5.200 30 20 IKED COc1cccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 508268913 RYGOXLLPTTUHFV-HSZRJFAPSA-N 443.503 5.737 30 20 IKED CCN(C(=O)c1ccc(OCc2cn3cccc(C)c3n2)cc1)[C@@H](C)c1ccc(C#N)cc1 509564988 RJLCEOMFARGMRW-FQEVSTJZSA-N 438.531 5.317 30 20 IKED CCN(C(=O)Cc1c(C)nn(-c2ccc(C)c(Cl)c2)c1C)[C@H](C)c1ccc(C#N)cc1 509577082 ZVANFSALBVBFMX-GOSISDBHSA-N 434.971 5.475 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2c2cccc(Cl)c2)cc1 511355195 LRELXDZOEMGTPT-VWLOTQADSA-N 445.950 6.354 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N[C@@H](C#N)c3ccc(F)cc3)cc12 511734400 MVFVVHPSEXEPGJ-IBGZPJMESA-N 438.915 5.242 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C 513681535 DUQZPDJMAZJCMA-OAHLLOKOSA-N 448.935 5.339 30 20 IKED CSc1ccc([C@H](CNC(=O)c2cccc(CC#N)c2)N2CCc3sccc3C2)cc1 514573914 GKHJOAYZKHLALH-QHCPKHFHSA-N 447.629 5.065 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 516462474 YTTORWZDNQYGDG-UHFFFAOYSA-N 434.823 5.079 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 516836289 DAXYSFWWCFJRPX-MHECFPHRSA-N 427.504 5.099 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)cc1 518178080 CZCNHKVNDGOJLM-UHFFFAOYSA-N 437.931 5.003 30 20 IKED COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 520604488 HELUROABYPYQPQ-DEOSSOPVSA-N 431.511 5.741 30 20 IKED Cc1nc(-c2ncccn2)sc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 520835377 LRXSNCPOAFLZSR-UHFFFAOYSA-N 449.483 5.185 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccccc2NCC(F)(F)F)c1 521626878 LWPKZISLNOGIGV-UHFFFAOYSA-N 425.410 5.364 30 20 IKED CCC[C@H](C#N)NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 523283996 NCPZWWHCVLKVFO-QGZVFWFLSA-N 446.498 5.004 30 20 IKED CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc(C)cc1 523967131 YCVHYBFENOZWCO-JOCHJYFZSA-N 447.922 5.518 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CCOc2c(Cl)cccc21 524439316 RLVIHRCYDYLIEM-QHCPKHFHSA-N 447.922 5.744 30 20 IKED Cc1ccccc1[C@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCO1 525226251 JGTXQRHOJKWVHB-ILBGXUMGSA-N 445.950 5.909 30 20 IKED C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 525416495 LPIOZMUSQNAZIS-OAQYLSRUSA-N 440.547 5.479 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 534047976 LRLPOCOGYMPVOE-HSZRJFAPSA-N 434.442 5.040 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(C(F)(F)F)cc3)n2)nnc1-c1ccoc1C 535161436 HZHBYFNGHYDUJG-UHFFFAOYSA-N 446.454 5.999 30 20 IKED CC(C)Cn1ncc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1C(F)F 536328851 NCPNPSQTMSPFKL-UHFFFAOYSA-N 425.439 5.785 30 20 IKED C=CCN(C(=O)c1cnc(-c2cccnc2)s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 536427527 XIVAQCSSIJLDMO-UHFFFAOYSA-N 449.517 5.070 30 20 IKED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 537951252 FMMQQWXTSQWWGN-NLFFAJNJSA-N 439.625 5.383 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 538051914 MYKSZJRKPMDTFZ-MRXNPFEDSA-N 447.526 6.511 30 20 IKED C=CCCOCCCCC(=O)N(CC)[C@@H]1CCSc2ccc(Br)cc21 540494512 CPGABKSAIVOCOZ-GOSISDBHSA-N 426.420 5.598 30 20 IKED Fc1cccc([C@H](NCc2coc(-c3ccc(C(F)(F)F)cc3)n2)C(F)(F)F)c1F 541332911 WWFAOVRURIRZNP-INIZCTEOSA-N 436.302 6.032 30 20 IKED CCCc1c(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)cnn1-c1cc(F)c(OC)cc1F 544204602 QVMYEZFCXRPGAO-ZDUSSCGKSA-N 444.507 5.182 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)c1nc(-c2cc(F)ccc2C(F)(F)F)no1 544953245 NDXSNBJDASJJRT-MRVPVSSYSA-N 436.331 5.422 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 553455062 FQVLSZAKXNZLGG-JTHBVZDNSA-N 442.401 5.035 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 554878231 ZFMFZRCSGXVNOZ-CYBMUJFWSA-N 436.459 5.616 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(CSc4ccccn4)c3)CC2)cc1 557100614 JLLXHFBVNOSKCJ-UHFFFAOYSA-N 444.560 5.321 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@@H](c2cccc(Cl)c2)C2CCCCC2)CC1 558655501 ZKHZGIZKMNKHCE-HSZRJFAPSA-N 436.987 5.623 30 20 IKED CCO[C@@H](c1noc([C@@H](C)Oc2ccccc2C#N)n1)c1ccc(F)cc1C(F)(F)F 570200499 HFCPKMCRIVBCTH-KZULUSFZSA-N 435.377 5.365 30 20 IKED N#Cc1ccc(-c2nnc(CN3CCC(CCc4cccc(C(F)(F)F)c4)CC3)o2)cc1 577580417 JPJRHMVCGSPKCY-UHFFFAOYSA-N 440.469 5.472 30 20 IKED C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCC(C(=O)c2cc(F)ccc2F)CC1 580576525 XIAAARZXVQYPDY-UHFFFAOYSA-N 440.469 5.038 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)cc2)ccn1 581162696 ACEIEFBQQQLUFX-UHFFFAOYSA-N 436.427 5.042 30 20 IKED N#C[C@@H](C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1nc2cc(F)ccc2s1 592974081 NANYYWQVVCPULX-SFHVURJKSA-N 430.464 5.569 30 20 IKED CC1(C)CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)[C@H]1c1ccccc1 604362524 YOMSCSHXOOAYKP-VWLOTQADSA-N 425.532 5.947 30 20 IKED COc1ccc(Br)cc1SCC(=O)c1cn(CCC#N)c2ccccc12 607438646 KHKFGPOIBFYZOJ-UHFFFAOYSA-N 429.339 5.301 30 20 IKED COc1ccc(CCCCCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 608937405 VPIFLABSDYAOLT-UHFFFAOYSA-N 429.520 5.804 30 20 IKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1cccc([N+](=O)[O-])c1 609387085 KGWQYDXOTUOQQG-LBPRGKRZSA-N 438.431 5.058 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(-c4ccoc4)n3)cc2Cl)cc1 609969001 IAODORDFEBGHOK-UHFFFAOYSA-N 435.892 5.902 30 20 IKED C[C@H]1C[C@@H](N(C)C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CCN1Cc1ccccc1 609995405 BEDPFNSFTDRNND-IDISGSTGSA-N 438.575 5.427 30 20 IKED C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1cccc(C#N)c1 610317936 HFZKPYKLDRLVTB-CYBMUJFWSA-N 430.455 5.507 30 20 IKED CCOC(=O)c1sc(NC(=O)c2ccc(Oc3ccccc3Cl)nc2)c(C#N)c1C 610433789 IEMVZJRUCXSDAE-UHFFFAOYSA-N 441.896 5.198 30 20 IKED CCc1ccccc1N(C(C)=O)c1nc(CSc2ccc(Cl)cc2C#N)cs1 610654923 IOKWYPDMDIFLTI-UHFFFAOYSA-N 427.982 6.207 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@H](Oc3cccc(F)c3)C2)cc1 612302583 UJXZJRUNXQMYGG-DEOSSOPVSA-N 445.494 5.156 30 20 IKED CC(C)(C)OC(=O)c1ccccc1C1CCN(C(=O)c2cc3ccccc3n2CC#N)CC1 615298414 XNRNMDDRTNDKFA-UHFFFAOYSA-N 443.547 5.140 30 20 IKED COc1cc(CN(C)C(=O)NCc2ccc(C#N)c(Cl)c2)ccc1OCc1ccccc1 619770349 QNXYCYSGDPQQLU-UHFFFAOYSA-N 449.938 5.141 30 20 IKED C=CCn1c(SCC(=O)N(c2ccccc2)C2CCCCC2)nc2sccc2c1=O 645079673 SWERRVLOFIQKOP-UHFFFAOYSA-N 439.606 5.102 30 20 IKED FC(F)(F)c1ccc(-c2n[nH]cc2CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 683827141 MRACTWOETYJYFH-OKILXGFUSA-N 445.329 5.658 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1CCCc2ccc(F)cc21 684363443 QMMKLJCCVOIEIZ-TWJWRFFLSA-N 426.376 5.412 30 20 IKED N#Cc1ccc(NC(=S)/C(=C(/O)c2cccc(Cl)c2)[n+]2ccccc2)cc1Cl 726572153 VAOCRTGFINGJEM-UHFFFAOYSA-O 427.336 5.476 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)C2CCN(c3nc4ccccc4o3)CC2)c1 728181493 KSNRDYZYUCHHEV-UHFFFAOYSA-N 441.556 5.320 30 20 IKED Cc1ccc(-c2nnc([C@H](C)OC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)o2)cc1 728668488 WHDDTWSCRWVMTP-KRWDZBQOSA-N 425.444 5.627 30 20 IKED Cc1sc2nc3n(c(=O)c2c1-c1ccccc1)CC/C3=C\c1ccc(O[C@H](C)C#N)cc1 728699267 DVZNAEZYQPUZDN-ZGPWBKFBSA-N 439.540 5.669 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NCC(=O)Nc2ccc(CC#N)cc2)c(C(F)(F)F)c1 729675030 CWQJRYAOFCAPSY-UHFFFAOYSA-N 448.445 5.169 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)cc1 732954780 PLGVAFFEHSLLGT-JJIBRWJFSA-N 449.466 5.353 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)c1 733772993 KKLODADBQMUMJS-HXUWFJFHSA-N 436.943 5.260 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(COc3cccc(F)c3)c2)c1 733843724 UXSXZKSRSDIKPZ-QFIPXVFZSA-N 433.483 5.407 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1 734964913 FSYLMGLEUUUJBC-BFHYXJOUSA-N 449.309 6.375 30 20 IKED N#C[C@H](C(=O)C1(c2ccccc2F)CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 737321921 DCFHXGAHCJHNEV-CQSZACIVSA-N 431.319 6.164 30 20 IKED COc1cc(C)c([C@@H](C)NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1OC 740031246 BGSNDOBEVWTDSX-MRXNPFEDSA-N 435.549 5.173 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2ccc(COC3CCCC3)cc2)cc1 740434285 DFOUKCPWNDFGIO-AREMUKBSSA-N 425.532 6.445 30 20 IKED O=C(/C=C\c1cccc(OC2CCCC2)c1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741844278 SVWOXKFYADJCRR-JYRVWZFOSA-N 438.467 5.240 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 742594478 ZEJQUPWYZWOBNE-WMZHIEFXSA-N 435.568 5.197 30 20 IKED CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C#N)o2)NC(=S)N1c1ccccc1Cl 743742785 OVWDLYCGWWCPIC-NRFANRHFSA-N 448.935 5.153 30 20 IKED Cc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1NC(=O)c1ccncc1 743763832 VNXAJQQGHJQKFF-RUZDIDTESA-N 446.510 5.550 30 20 IKED CCN(CC(=O)[C@H](C#N)c1nc2ccccc2s1)[C@H](C)c1cccc(C(F)(F)F)c1 746143770 HPHMBMQYLBJAHE-PBHICJAKSA-N 431.483 5.574 30 20 IKED Cc1ccc(-c2nc(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)cs2)cc1 746231027 DSZYHDGRXZAYKK-UHFFFAOYSA-N 429.501 5.027 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccc(Cl)c(Cl)c1 747107999 KUKOJHIECDSPMO-QMTHXVAHSA-N 443.302 5.759 30 20 IKED CCOc1cc(/C=C(\C(=O)Nc2cccnc2)C(=O)c2ccccc2)cc(Cl)c1OC 747128585 VIVCIJLTPVTKLQ-UNOMPAQXSA-N 436.895 5.047 30 20 IKED Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(C)(C)C 751016335 IBRKCYBYHYRTAD-DQEYMECFSA-N 439.559 5.493 30 20 IKED O=C(COc1ccc(C(=O)/C=C\c2cnc(-c3ccncc3)s2)cc1)Nc1ccccc1 753141410 HTBZGKNICIZRSU-KHPPLWFESA-N 441.512 5.119 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1c(C(F)(F)F)ccnc1Cl 759521811 FVCPPMSZWGAQIM-UHFFFAOYSA-N 444.734 5.423 30 20 IKED N#CC(CCOC(=O)c1cnc(-c2cccnc2)s1)(c1ccccc1)c1ccccc1 761619423 MMBFUEBEBGKKGI-UHFFFAOYSA-N 425.513 5.262 30 20 IKED Cc1ccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccc(C(C)(C)C)cc2)c(C)c1 762440362 XHVDBGXFFXCRBD-UHFFFAOYSA-O 442.608 6.083 30 20 IKED C[C@H](NCc1ccc(O[C@H](C)C#N)cc1)c1nc(-c2ccc(Br)cc2)cs1 763533425 QWNOFDDTKBBRBJ-CABCVRRESA-N 442.382 5.714 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)[C@H]1CC12CCC2 764754726 KDJXFXYZAHFWHF-ZCFIWIBFSA-N 440.224 5.161 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CCCc3cc(OC(F)F)ccc32)c1=S 766351424 MBIVOYSDNBEXLD-UHFFFAOYSA-N 443.523 5.064 30 20 IKED Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c2c1 767969494 LESCICFFHOJCAV-UHFFFAOYSA-N 430.511 5.406 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)c2ccc(C3(C#N)CC3)cc2)cs1 777173934 LBFVANKUTWNVDN-UHFFFAOYSA-N 445.544 5.357 30 20 IKED CN(Cc1ncc(Cl)n1C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 779029754 IDWUPFZTVPXADX-UHFFFAOYSA-N 430.295 5.055 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1 780161498 FAWHRVMQLAASPK-OYHNWAKOSA-N 441.314 6.043 30 20 IKED N#Cc1ccc(NC(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)cc1Cl 785624474 HHBFSOOVZUFCHJ-UHFFFAOYSA-N 431.923 5.394 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1C 796630240 CGUDXQJBGQXXMG-NRFANRHFSA-N 449.551 5.428 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)c1ccccc1 797568199 GIJLJMSYSTVXMA-IRXDYDNUSA-N 427.570 5.273 30 20 IKED N#CC1(CCCOC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)CCOCC1 800103224 KMYYTKFADPLZTB-UHFFFAOYSA-N 434.511 5.550 30 20 IKED CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)OCCCC1(C#N)CCOCC1 800177586 JQTSIZVOPQLTLZ-IBGZPJMESA-N 436.390 5.298 30 20 IKED C=CCn1c(-c2cccs2)nn(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1=S 800864466 LLUVUAWDJMZIMP-HNNXBMFYSA-N 428.549 5.341 30 20 IKED CCCCN(Cc1ccccc1O)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 801618053 PYXFOBJYVPCSIZ-UHFFFAOYSA-N 443.547 5.871 30 20 IKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(CC(C)(C)CCC#N)C2=O)cc1 807931527 TZKQLIXMJNYFRX-OAQYLSRUSA-N 448.592 5.285 30 20 IKED C[C@H](N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21)c1ccc(C#N)c(F)c1 810257608 NQELZJYTWMQNPM-YCRPNKLZSA-N 439.531 5.997 30 20 IKED Cc1cc(CSc2ccccc2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)on1 811613105 UXWIHJINJWLMGE-UHFFFAOYSA-N 442.500 5.587 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1cccc(Br)c1 813060341 WMCJTYLGUVYLDI-QMTHXVAHSA-N 440.124 5.207 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1sc2c(c1C#N)CCCC2 863967290 QFKPEHIXQMJIQV-UHFFFAOYSA-N 445.375 5.611 30 20 IKED CCCC1C/C(=C/c2ccc(NC(C)=O)cc2)C(=O)/C(=C\c2ccc(NC(C)=O)cc2)C1 916137927 UASJHVYITADHKK-YBOYZMIGSA-N 430.548 5.850 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 916902024 CAYZOXMPIFPIPH-SJLPKXTDSA-N 442.943 5.204 30 20 IKED CCOc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3c(CC)cccc3CC)cs2)cc1 916905161 BFCKYLHGNYCXFN-FQEVSTJZSA-N 447.560 5.295 30 20 IKED COc1ccc(/C=C\C(=O)c2cc(F)ccc2F)cc1OCc1ccc([N+](=O)[O-])cc1 917044216 PKUNGAMPJYPFME-WMZJFQQLSA-N 425.387 5.357 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CSc3ccc(Cl)cc3C2=O)cs1 917559265 GRUSBVIVDMWTLW-DHDCSXOGSA-N 440.977 6.162 30 20 IKED COc1ccc(OCc2nc(/C=C/C(=O)c3sccc3Br)cs2)cc1 920066281 WFECOEBRUSGWPX-FARCUNLSSA-N 436.352 5.451 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C)n(-c4ccccn4)c3C)n2)cc1 920144073 XGVSBZZBRUXLDQ-HXUWFJFHSA-N 428.517 5.111 30 20 IKED C[C@@H](C#N)CN(C)C(=O)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc12 920448803 NYHGXJACOGQLPX-LBPRGKRZSA-N 432.738 6.094 30 20 IKED N#C[C@H](C(=O)c1ccc(C2SCCS2)cc1)c1nc(-c2c(F)cccc2F)cs1 920804317 PIKYFONPODJOPQ-CQSZACIVSA-N 444.553 6.057 30 20 IKED COc1ccc2cc([C@H](C)C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)ccc2c1 924810571 PZMQOFBPVUUUDA-VQTJNVASSA-N 444.531 5.139 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(OC)cc3)cc2)CCC1 1786331469 OPVLXUONTDSACO-DQEYMECFSA-N 444.575 5.126 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4ccc(OC)cc4[nH]3)cc2)CCC1 1788975178 VUSPWXMRWWGMBU-KRWDZBQOSA-N 431.536 5.136 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3cncc(C)c3)CCC2)cc1 1789453335 WMCVLZAGMBJIFV-XMMPIXPASA-N 431.580 5.225 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4c3OCC4)CCC2)cc1 1789453856 HJFXDXMKEWVMJA-JOCHJYFZSA-N 430.548 5.138 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C3CC3)cc2)[C@@H]1c1cccnc1 1810175056 SCIZOLKVVQDWPF-JIMJEQGWSA-N 443.591 5.047 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2c(C)c[nH]c2C)CC1 1824270088 FFBSXCQXSBISOH-DEOSSOPVSA-N 441.660 5.176 30 20 IKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3sccc3s2)CC1 1828547467 UKDOEIFIPZMHGL-KRWDZBQOSA-N 448.679 5.115 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cccc(C)c3[nH]2)CC1 1828828271 GTUSUEVWAZMGTN-UKILVPOCSA-N 447.623 5.478 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)cc2C)CC1 1828829995 OQZUOHKFLOYSGH-ISKFKSNPSA-N 426.576 5.136 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1ccccc1 9448590 NGPNNLOWCPKEEB-UHFFFAOYSA-N 442.544 5.654 30 20 IKED N#Cc1ccc(F)c(COC(=O)CSc2ncnc3scc(-c4ccccc4)c23)c1 10611306 RYUHXUHSHCAZJO-UHFFFAOYSA-N 435.505 5.205 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2ccc(F)c(Cl)c2)c1 10759819 DQVVYPPSWGKTJF-UHFFFAOYSA-O 441.979 6.051 30 20 IKED COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)c1ccccc1Sc1ccccc1C#N 15806201 VWGMCFKGEPFVLV-QGZVFWFLSA-N 446.528 5.211 30 20 IKED N#Cc1c(NC(=O)CSc2nnc(Nc3ccccc3)s2)sc2c1CCCCC2 21156144 ZBNYPKRWTHYWEW-UHFFFAOYSA-N 441.607 5.215 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2cccc(Cl)c2)n1CC 22182316 BUNMJFRSGFQKEG-OAHLLOKOSA-N 447.029 5.375 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc(OCc4ccncc4)cc3)c2)c1 32291045 HMRRFFRQCVQMKR-UHFFFAOYSA-N 435.483 5.364 30 20 IKED Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)c1ccc(OCc2nccn2C)cc1 59324441 NKJYKGGFODLWBJ-OUKQBFOZSA-N 432.911 5.043 30 20 IKED C=CCn1c(SCC(=O)N2CCC[C@@H](C)CC2)nnc1-c1ccc(Cl)cc1Cl 62926970 KKVYYLFBIBZQPK-CQSZACIVSA-N 439.412 5.179 30 20 IKED C=CCc1cc(CNC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)cc(OC)c1OC 65175220 WONIPFBPYIOAEF-UXHICEINSA-N 448.588 5.408 30 20 IKED Cc1ccc(NC(=O)Cc2nc(CSc3nc4c(cc3C#N)CCCC4)cs2)cc1 96994978 XJACCJJMINVWRK-UHFFFAOYSA-N 434.590 5.071 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)nnc1-c1cccc(C)c1 97493728 JZWYORIWFGZTJL-INIZCTEOSA-N 442.535 5.029 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(C[C@H](C)c3ccccc3)o2)cc1 105610716 WYIZBBZUWMAGLD-RBUKOAKNSA-N 434.565 5.152 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc(-c3cccs3)nc21 302970091 QVCGPHPYBPCHDK-UHFFFAOYSA-N 429.549 5.794 30 20 IKED COc1cc(Cl)c(Br)cc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 428713770 XCQYWYUPYJMMRY-NSHDSACASA-N 439.762 5.615 30 20 IKED C=C(C)CN1CCC(NC(=O)Nc2ccccc2SCc2ccccc2OC)CC1 431746958 WDCLGVAPEISSLW-UHFFFAOYSA-N 425.598 5.150 30 20 IKED COC(=O)c1c(CN[C@@H](CCCC#N)c2ccccc2)nc2ccccc2c1-c1ccccc1 433017264 XXPWNERNKQNVKT-DEOSSOPVSA-N 449.554 6.213 30 20 IKED C[C@@H](c1cccs1)N(Cc1ccccc1)Cc1cn(CCC#N)nc1-c1ccncc1 435139484 WPLZWDWLXUBVPG-FQEVSTJZSA-N 427.577 5.684 30 20 IKED CC(C)Oc1ccc(NC(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)cc1C#N 435540570 CIALYUUTWNCTIV-QFIPXVFZSA-N 435.915 5.042 30 20 IKED Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c3c(C)noc3n2)cc1 436356699 BXTHMYWADCMLKM-UPVQGACJSA-N 436.515 5.419 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccc(Cn3ccnc3)cc2)cc1F 438668275 WZLOWHFUBHKLAO-UHFFFAOYSA-N 441.466 5.056 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3nc(-c4ccc(O)cc4)cs3)c2)cc1 439527032 JEHQPRNILIDJKC-UHFFFAOYSA-N 427.485 5.219 30 20 IKED CCCc1c(NC(=O)N[C@@H]2CCCO[C@H]2c2ccc(C)cc2)cnn1-c1cccc(C#N)c1 439677749 KAPKPWIFNDVOFE-RDGATRHJSA-N 443.551 5.047 30 20 IKED CN(C(=O)c1cc2cc(Br)cc(Br)c2o1)c1ccc(C#N)cc1 440057836 XEUQCWGHSQEQNW-UHFFFAOYSA-N 434.087 5.106 30 20 IKED Cc1cc(C#N)ccc1C(=O)Nc1c(C)cccc1-c1nc2ccc(F)cc2n1C(C)C 440067208 ZEXTZDFAMZDYJS-UHFFFAOYSA-N 426.495 6.164 30 20 IKED CCCc1c(NC(=O)Cc2nc(-c3ccc(F)cc3)cs2)cnn1-c1cccc(C#N)c1 440088870 PBIOIJYQUNQSDW-UHFFFAOYSA-N 445.523 5.140 30 20 IKED C=CCC[C@H](NC(=O)C1CCN(C(=O)c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 441580628 IWFCCMQRDRFLDK-QFIPXVFZSA-N 444.497 5.381 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444020739 KUODPRUZHSEQPA-QGZVFWFLSA-N 429.364 5.412 30 20 IKED CSc1cccc([C@H](NC(=O)c2c(F)cc(C#N)cc2F)c2cc(F)ccc2F)c1 446043929 CUPFIAAXMZMFLL-NRFANRHFSA-N 430.426 5.356 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)c1 464357978 UMJCSHABKBCLLV-HXUWFJFHSA-N 428.557 5.392 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@H]2CC(=O)c2ccco2)c1 468344466 SHSNCKRFVBCJIY-KRWDZBQOSA-N 434.879 5.475 30 20 IKED C[C@@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C(=O)c1cccc(F)c1 468413396 VITFAJIEPIVGJM-AOMKIAJQSA-N 434.898 5.982 30 20 IKED CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469953851 RVHYOFNZVNBXJO-XMMPIXPASA-N 435.593 5.166 30 20 IKED CC1(C)[C@H](C(F)(F)F)CCN1C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 470493967 YMTCNIWGMXPEIR-VXGBXAGGSA-N 434.327 5.264 30 20 IKED CCCCc1ccc([C@@H](NCc2nnc(-c3ccc(C#N)cc3)o2)c2cccs2)cc1 471622819 XXIBOAUCLLTSJM-XMMPIXPASA-N 428.561 5.892 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 474154467 OQCGOHSSXBTFTE-SFHVURJKSA-N 445.544 5.099 30 20 IKED N#CCSc1cccc(C(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1 474265933 OEAMWMOZOPSCRE-MRXNPFEDSA-N 432.389 5.745 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(OC4CCCCC4)cc3)CC2)c(F)c1 476127140 AWRRWIMCGXUBCW-UHFFFAOYSA-N 437.515 5.484 30 20 IKED N#CCCCCNC(=O)C(=O)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl 478073461 UKHHSIJXYSJVKG-UHFFFAOYSA-N 440.714 5.188 30 20 IKED Cc1ccc(-n2ncc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c2C(C)C)cc1 484805522 HIXLAUFOBYRVLR-LADGPHEKSA-N 427.552 5.608 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCO[C@@H](c4ccc(F)c(Cl)c4)C3)c2)cc1 486526387 MLVFVOFZKJBFLR-HSZRJFAPSA-N 436.870 5.357 30 20 IKED C=C(C)Cn1c(S[C@@H](C(=O)Nc2ccccc2)c2ccccc2)nnc1-c1ccncc1 489398365 YFBQWEZLPCVNPR-JOCHJYFZSA-N 441.560 5.388 30 20 IKED Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)cc1 494103761 ZPMCJTNYWVTJCX-NRFANRHFSA-N 434.952 5.775 30 20 IKED CC(=O)c1c(C)cc(C)c(CS(=O)(=O)Cc2ccc(-c3ccccc3C#N)cc2)c1C 494720323 WWUBDWYGCLJYCO-UHFFFAOYSA-N 431.557 5.468 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)Cc1csc(-c2ccccc2Cl)n1 500994868 AEXIZJYQISBZTM-UHFFFAOYSA-N 433.920 5.704 30 20 IKED CC(C)(C)[C@H]1CCc2sc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc2C1 501684273 AAYLQBOPSFWDPZ-FQEVSTJZSA-N 449.620 5.262 30 20 IKED C=CCN(C(=O)c1cc2sc3ccccc3c2s1)c1nc(C(=O)OCC)cs1 501936395 DSLRIXHMWIYATL-UHFFFAOYSA-N 428.560 5.582 30 20 IKED COCCOc1cccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 503173045 QTCVQWNTOJKESL-HSZRJFAPSA-N 449.938 5.342 30 20 IKED CCOCCOc1c(Cl)cccc1NC(=O)Nc1ccccc1SC[C@@H](C)C#N 503227551 WJAAPCJLQRNXKQ-HNNXBMFYSA-N 433.961 5.651 30 20 IKED CCC(CC)(CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)N[C@@H](C)c1ccccc1 503721869 CEABGUNDWDGBLT-NRFANRHFSA-N 448.611 5.021 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)c3ccc(Sc4ccccc4Cl)nn3)CC2)cc1 503960112 FVHKZEPUUKXFTQ-UHFFFAOYSA-N 432.936 5.082 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)N4CC=C(c5ccc(C#N)cc5)CC4)cc3)o2)c1 503972579 LMYOUTACUNPCOL-UHFFFAOYSA-N 446.510 5.513 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1 505036569 XTPUZAPGYYFCIR-QGZVFWFLSA-N 443.473 5.278 30 20 IKED COc1cccc(-c2c[nH]cc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 505691807 LAZCEBMCTYZLQD-UHFFFAOYSA-N 439.471 5.615 30 20 IKED N#CCC[C@@H](NC(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1)c1ccccc1 510317353 FLOYDAVIUINESA-NZQKXSOJSA-N 449.599 5.517 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 512522322 RYASQLIGWJEIFA-HNNXBMFYSA-N 434.371 5.960 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCCc3cccc(OC(F)F)c32)c1 513463722 PLRIYGSQFMLBQF-UHFFFAOYSA-N 434.442 5.332 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 514536402 FOEIOALVICSOBD-QGZVFWFLSA-N 449.507 5.628 30 20 IKED COc1cc(C#N)cc(OCc2csc(N(C(C)=O)c3c(C)cc(C)cc3Cl)n2)c1 514902842 PHNOKEAHTFYACJ-UHFFFAOYSA-N 441.940 5.557 30 20 IKED CCCCN(Cc1ccccc1Cl)C(=O)C(=O)Nc1ccccc1SCCC#N 517467088 KAMQVFAFTIEBSS-UHFFFAOYSA-N 429.973 5.113 30 20 IKED Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 518467742 LKOCZLDMOPENJX-HSZRJFAPSA-N 441.556 5.015 30 20 IKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)NCCC1=CCCCC1 519432880 FIXXZYHGPVNISO-HNNXBMFYSA-N 425.520 5.518 30 20 IKED C[C@H](NC(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)no1)c1ccc(C#N)cc1 521152216 ZDTCCMLAANXKQW-SFHVURJKSA-N 434.515 5.468 30 20 IKED CC(=O)c1cccc(NC(=O)[C@@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 521733744 IKQOHGHBHQQCJH-CYBMUJFWSA-N 435.471 5.353 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 521813314 GHSXBNILKWTKHO-LBPRGKRZSA-N 427.879 5.804 30 20 IKED Cc1nc(C(C)(C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)sc1C 523028292 CSLRLASSDXKYBN-UHFFFAOYSA-N 438.528 5.407 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cc(C(F)(F)F)cnc2O)c1 523948094 KTYZWAOHXXEACD-UHFFFAOYSA-N 433.773 5.376 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3cc(Cl)cc4cccnc34)c2)cc1 527127863 MKKUSUFEFPZTSY-UHFFFAOYSA-N 442.862 5.129 30 20 IKED CN(C(=O)c1ccc(C#N)cn1)[C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 530976544 IQHPZVUXPPAKNY-FQEVSTJZSA-N 440.728 5.231 30 20 IKED C=C(C)Cn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccncc1 532273584 AWZSGZKUSWEOMW-UHFFFAOYSA-N 426.545 5.558 30 20 IKED CN(CC(=O)Nc1ccccc1SCC#N)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 537367003 BKRDODGBCSBPDH-QUCCMNQESA-N 447.526 5.528 30 20 IKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)cc(-c3cccs3)nc21 538545769 JBDBJMAWRCBZME-MRXNPFEDSA-N 440.532 5.117 30 20 IKED C=CCOc1c(Br)cc(CN(C)[C@@H](C)c2sc(C)nc2C)cc1OC 539834399 ZXCXZSIWUNBULT-ZDUSSCGKSA-N 425.392 5.289 30 20 IKED COc1cc(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)ccc1OCc1cccc(C#N)c1 540434050 RHARCBLKQSWBPS-AHWVRZQESA-N 442.559 5.403 30 20 IKED C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccc(-c2cccc(C#N)c2)cc1 543896804 GAOBKFXGWCOWHJ-GOSISDBHSA-N 440.503 5.543 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cnn(CCC(F)(F)F)c1 544085119 GEEZKGYPRCDCFB-UHFFFAOYSA-N 430.405 5.002 30 20 IKED Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 549234300 QGBNDPHLGVRZSM-VCSGRIEYSA-N 427.508 5.027 30 20 IKED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1 549734644 KZWCLNPPRYVGRJ-MGPUTAFESA-N 441.963 5.130 30 20 IKED Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NCc1cccn1Cc1ccccc1C#N 551447907 BUAZLQHGQKGQGZ-NRFANRHFSA-N 426.564 5.343 30 20 IKED CC(C)(c1ccc(NC(=O)C(=O)N[C@@H](CCCC#N)c2ccccc2)cc1)C(F)(F)F 551831206 VGDUKVDCACZUTN-IBGZPJMESA-N 431.458 5.016 30 20 IKED CC(C)(C(=O)Nc1cc(Br)ccc1Br)c1cc(F)cc(C#N)c1 554692106 QJWCBHOAUHGZLB-UHFFFAOYSA-N 440.110 5.139 30 20 IKED N#Cc1c(F)cc(CNC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)cc1F 556803509 XPYKLIQOHAFJEC-UHFFFAOYSA-N 433.389 5.228 30 20 IKED CC(C)OCc1ccc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1 557456790 UZJCSYQXIOETJA-UHFFFAOYSA-N 425.960 5.382 30 20 IKED CC(C)C(=O)Nc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccn1 559053042 DPEPFNZIARQEFU-FQEVSTJZSA-N 432.911 5.237 30 20 IKED CCSc1cccc(Br)c1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 561403172 LUWWYQFFDNVRID-FUHWJXTLSA-N 444.398 5.865 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)c2)cc1 562168382 MBEWFWHJZLJUGR-TWJOJJKGSA-N 439.515 5.387 30 20 IKED C[C@H](NC(=O)Cc1noc(-c2ccc(C(C)(C)C#N)cc2)n1)c1ccc(Cl)cc1Cl 569390600 KQTOVGYJQQJAIE-ZDUSSCGKSA-N 443.334 5.264 30 20 IKED COc1ccc(-c2cc(NC(=O)N(C)Cc3ccc(C#N)cc3)ccc2OC(F)F)cc1 573715657 QCKXQDPCCXKYSX-UHFFFAOYSA-N 437.446 5.499 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(OCC(F)F)ccn1 576659110 QDTZGALCPQLZOR-UHFFFAOYSA-N 431.386 5.002 30 20 IKED CN1CCC[C@H](CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@H]1c1cccs1 576912449 XAHPXFVCRHBGGY-HXOBKFHXSA-N 447.564 5.012 30 20 IKED N#CCCC[C@H](NC(=O)N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)c1ccccc1 590072491 RHOSROKUZCFWRE-FXSWLTOZSA-N 430.596 5.021 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 603746328 QHXHALXCRXSTFK-JOCHJYFZSA-N 442.950 5.666 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cnn1-c1ccc(F)cc1F 604344022 FXCCBDNXOIFACX-UHFFFAOYSA-N 430.414 5.375 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1nc2cc(F)ccc2s1 606753422 ISBNCPKVWWUELE-CQSZACIVSA-N 430.386 5.130 30 20 IKED C[C@@H](NC(=O)CC1CCCCC1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609164449 OSWOKOBYSIMOBH-VGSWGCGISA-N 437.971 5.409 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3coc(-c4cccs4)n3)cc2F)c1 609261924 LHQFYQQFNIKBGE-UHFFFAOYSA-N 433.464 5.174 30 20 IKED N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1nc2cc(F)ccc2s1 609322042 UVPSPVPHZPBZRX-QGZVFWFLSA-N 449.488 5.985 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(C2CC2)nn1-c1ccccc1 609370616 HZGYGXVRCQKYRL-MRXNPFEDSA-N 449.605 5.270 30 20 IKED Cc1nn(-c2ccccc2)c2nc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)ccc12 609377697 ZVZGASCFIPKJBH-INIZCTEOSA-N 427.533 5.233 30 20 IKED Cc1ccc(-c2nc(CSCC(=O)Nc3ccccc3SC[C@H](C)C#N)co2)cc1 609389030 VAJABTOVPLASHP-QGZVFWFLSA-N 437.590 5.774 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccccc1S[C@H](C)CC#N)O[C@@H](C)C2 609428366 CSAUAJCYZZXBDH-WQDJSCAQSA-N 436.577 5.545 30 20 IKED COc1cc(CN(C)C(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OC(F)F 609434772 PJKVZCJHQOBWTR-CQSZACIVSA-N 435.496 5.355 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCn4cccc4[C@@H]3c3ccccc3)c2)c1 609641763 PKBMFXXXSNRICE-MHZLTWQESA-N 433.511 5.184 30 20 IKED Cc1cc(C)cc(-c2nnc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)s2)c1 609648145 DRTLJYLJBRNLCO-UHFFFAOYSA-N 430.489 5.118 30 20 IKED C[C@@H](NC(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1)c1cccc(C#N)c1 610321786 BNSXGKTZBRRAAZ-MRXNPFEDSA-N 438.959 5.499 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C[C@@H](C(F)(F)F)O1 610415751 JABFXYBVLAVESR-FMEYXAORSA-N 437.849 5.179 30 20 IKED COc1ccc(CN2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)cc1C#N 610992688 BVTBZHHQPZWELT-RUZDIDTESA-N 446.595 5.256 30 20 IKED CCn1ncc2c(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc(-c3ccccc3)nc21 613392389 OCOVJJBKOWDYGP-FQEVSTJZSA-N 449.539 5.732 30 20 IKED N#C[C@H](C(=O)c1cc2cc(Br)ccc2o1)c1nc2cc(Cl)ccc2s1 613407171 KJSMRIFUMDAWHD-GFCCVEGCSA-N 431.698 5.948 30 20 IKED N#CCn1c(C(=O)N2CCC(F)(c3ccccc3OC(F)(F)F)CC2)cc2ccccc21 619608287 MYAOEDNVJCJAEW-UHFFFAOYSA-N 445.416 5.164 30 20 IKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 619666943 XRCBINCUCDPCPS-JXFKEZNVSA-N 433.430 5.088 30 20 IKED CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=S)Nc1ccc(C#N)c(Cl)c1 726441216 JQMOTJUAEUOUDU-OAHLLOKOSA-N 428.989 5.265 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)ccc1F 730690279 RHNZEJCOINBQID-ZDUSSCGKSA-N 444.413 5.408 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)ccc1F 731195720 MXNYOYWSDGZUIY-INIZCTEOSA-N 438.286 5.474 30 20 IKED C#Cc1cccc(NC(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)c1 731537670 YHCRDQYSFLYIOJ-UHFFFAOYSA-N 428.467 5.041 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2csc(-c3cccc(Cl)c3)n2)ccc1OC 733230977 XIADDEQKFUVZDS-KRWDZBQOSA-N 441.940 5.083 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(Oc3cccc(F)c3)cc2)ccc1OC 733626765 UCEPRKDXPYUPCF-HXUWFJFHSA-N 449.482 5.629 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)CSc2nccn2-c2ccc(C(C)C)cc2)c1 733787926 YRLWMYLPWMCIAW-JOCHJYFZSA-N 448.592 5.085 30 20 IKED CN(C)C(=O)Sc1cccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1 734320857 CLWNDKIMTZQZPD-UHFFFAOYSA-N 431.517 5.163 30 20 IKED COc1cc(C=NNc2c(Cl)cc(Br)cc2Cl)ccc1OCC#N 741842430 FQZBKHVLMXREBK-UHFFFAOYSA-N 429.101 5.113 30 20 IKED C=CC[C@@H](NC(=O)N[C@@H](c1ccc(OC)cc1C)c1ccccc1Cl)c1ccncc1 745827486 KTDPSXAMSHTUBX-RPWUZVMVSA-N 435.955 5.758 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 750219791 VPKRZPIDZPNQCH-GOSISDBHSA-N 447.379 5.212 30 20 IKED Cc1ccc([C@@H](Cn2ccnc2)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(C)c1 750294286 JOYMGRTZRUHVCW-KAYWLYCHSA-N 449.558 5.718 30 20 IKED COc1ccc(-c2cncc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c2)cc1 757875053 MYRJYUVAICQZRD-HXUWFJFHSA-N 440.286 5.025 30 20 IKED Cc1ccc(-c2nnc(CNc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)o2)cc1 760456449 UQOXXBSJMJXWGK-UHFFFAOYSA-N 430.895 5.761 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC(=Cc3cccc(OC)c3)CC2)c1=S 765082896 ZYQDGDLJJYFJKK-UHFFFAOYSA-N 447.608 5.198 30 20 IKED CC(C)Oc1ccc(NC(=O)N(Cc2ccccc2)C[C@H](O)c2cccs2)cc1C#N 772458495 SIBZUOIGLVNPNR-NRFANRHFSA-N 435.549 5.175 30 20 IKED N#C[C@@H](C(=O)Cc1cccc2cccnc12)c1nc(-c2ccc(Cl)cc2Cl)cs1 772640521 MTFAUUZHNSHDJH-KRWDZBQOSA-N 438.339 6.084 30 20 IKED C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1cn(C)c2ccccc12 773980323 RIUBXGPDKPPDIP-NQIIRXRSSA-N 437.499 5.422 30 20 IKED COc1ccc(C(=O)[C@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1C1CC1 774260841 RRSHWWCYRQPSDX-SGTLLEGYSA-N 431.319 5.079 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@H]2c2nc3ccccc3o2)cc1 775486503 CHPCREAGQDABPP-UPVQGACJSA-N 436.515 6.242 30 20 IKED CC[C@H](NC(=O)NCc1cccc(O[C@@H](C#N)CC)c1)c1cc(F)cc(Br)c1 776877017 DYCHVQASMLVAEO-QUCCMNQESA-N 448.336 5.220 30 20 IKED COc1cc(C(=O)/C=C\c2cn(C)nc2-c2ccc(C#N)cc2)ccc1SC(F)F 777916556 LLQCKQUBSWIDNZ-CLFYSBASSA-N 425.460 5.178 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4ccc(C)cc4)CCOCC3)n2)cc1 779195656 YVAGBTRALGKVIN-NRFANRHFSA-N 432.545 5.052 30 20 IKED CC(C)n1cc2c(n1)[C@H](NC(=O)Nc1ccc(OCc3cccc(C#N)c3)c(F)c1)CCC2 780554537 RANLZTOBCRCXPU-JOCHJYFZSA-N 447.514 5.253 30 20 IKED CCOC(=O)C1C/C(=C/c2scnc2C2CC2)C(=O)/C(=C/c2scnc2C2CC2)C1 782330080 XOOSDXQXNNNNTE-CKOAPEAFSA-N 440.590 5.364 30 20 IKED Cc1ccc(N2CCOC2=O)cc1NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 782581469 LEJUXISHLKWHGZ-SFHVURJKSA-N 440.503 5.373 30 20 IKED N#C[C@@H](C(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1)c1nc2cc(F)ccc2s1 784507202 RTGOMSSWPJLQKI-HNNXBMFYSA-N 434.414 5.533 30 20 IKED N#C[C@@H](COC(=O)c1ncsc1-c1ccccc1)Cc1ccccc1Br 786638704 IYTMLIHEWUDGFX-AWEZNQCLSA-N 427.323 5.112 30 20 IKED N#C[C@@H](C(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1)c1cnc2ccccc2n1 792111748 XVVGAFHIQZQXCZ-OSPHWJPCSA-N 431.467 5.618 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cc(Cl)c(Cl)cc2OC)ccc1OC 792451369 AODYSWPNLDCWHI-CYBMUJFWSA-N 438.311 5.013 30 20 IKED COc1ccccc1-c1ncc(/C=C/C(=O)c2c[nH]c3cc(Br)ccc23)cn1 792883805 MVNHSUYSVYIKRL-RMKNXTFCSA-N 434.293 5.292 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccccc1COc1cccc(C=O)c1 804560844 NNHOJZPBKBQYGR-UHFFFAOYSA-N 431.536 5.074 30 20 IKED Cn1c([C@H](C#N)C(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)nc2ccccc21 805845629 NZJHRUHALYDNFE-NQIIRXRSSA-N 446.551 5.042 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)n1ccc2ccccc2c1=O 805856212 WDSFETNYWHWCNA-KUHUBIRLSA-N 433.920 5.216 30 20 IKED CC[C@@](C)(C#N)C(=O)Oc1cc(-c2ccc(Br)cc2)c2oc(=O)sc2c1 807950006 OYNXJQIELICLRQ-IBGZPJMESA-N 432.295 5.129 30 20 IKED C[C@H](Oc1ccc(Cl)c(COC(=O)Cc2cccc(OCC#N)c2)n1)c1ccccc1 810600063 GJTPSXXNJCUTGM-KRWDZBQOSA-N 436.895 5.063 30 20 IKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1csc2ccccc12 812456330 CBSWEQISXJKCSB-UHFFFAOYSA-N 435.361 5.550 30 20 IKED Fc1ccc(NN=Cc2cn(-c3ccccc3)nc2-c2cccnc2)c(Br)c1 812462118 NWXZXOHXFZSRPK-UHFFFAOYSA-N 436.288 5.282 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 875064697 KPQBQBHYUUGVPQ-UHFFFAOYSA-N 447.951 5.065 30 20 IKED CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 915327180 YHUUXBXVFNYGGH-UHFFFAOYSA-N 445.592 5.260 30 20 IKED CCOc1cc(/C=C2\CSc3ccccc3C2=O)ccc1OCC(=O)Nc1ccccc1 916154520 MZVHRSHJRRIQEL-XMHGGMMESA-N 445.540 5.475 30 20 IKED N#C[C@@H](C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2ccccc2n1 916848691 NGZPKZZNKUKTNO-CTEOGUNLSA-N 434.339 6.162 30 20 IKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1OC(C)C 916906289 RXLQPDCBVAVIDK-FQEVSTJZSA-N 444.487 5.236 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2c(s1)-c1ccccc1CC2 916927781 NQAHBZUWJPJCEJ-MRXNPFEDSA-N 441.339 5.782 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)cc1 916953182 RXWOOIIVCMZMAY-XASXRRJKSA-N 436.920 5.438 30 20 IKED N#C[C@H](C(=O)CCSc1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ccc2s1 917044609 TXJSEDZGLJGKQS-CQSZACIVSA-N 440.899 6.327 30 20 IKED C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917046446 KBNCTPWCTPEZIG-BXKDBHETSA-N 425.724 5.900 30 20 IKED Cc1c(C#N)c(-c2cc(C)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c2C)nc2ccccc12 917345536 SFWVIJBYTCIUCO-UHFFFAOYSA-N 447.542 5.287 30 20 IKED N#C[C@H](C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1nc(-c2ccccc2)cs1 920113700 LUIXPLLZGDKUFK-QGZVFWFLSA-N 438.434 5.505 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccnc1SC(F)(F)F 920280090 RPKHKWPFORTBOU-YUMQZZPRSA-N 440.331 5.333 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(N4CCCCC4=O)cc3)cc2)cc1 921118447 MLXUPJNPVWLNAF-UHFFFAOYSA-N 440.503 5.189 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCCCCC(C)(C)C)C1 1781931296 HOHWQVQBVWHEQB-AZSVPQILSA-N 446.676 5.265 30 20 IKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc5cc[nH]c45)CCC3)cc2)cc1 1785882019 VPPNSNAIIHTOMS-UHFFFAOYSA-N 448.526 5.030 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(OCC4CC4)cc3F)cc2)CCC1 1790585940 GWEXQOZGBIBOPI-UHFFFAOYSA-N 448.538 5.166 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccncc3C(F)(F)F)CCC2)cc1 1791248271 XWNYZBFNYQXTCK-HNNXBMFYSA-N 431.458 5.060 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)Cc3cccc(C(F)(F)F)c3)CCC2)cc1 1791584086 MDGXJPQTFPXRQI-UHFFFAOYSA-N 442.481 5.186 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cc(Br)c(F)cc3F)cc2)CCC1 1792180380 PMOZJLLJECMHGS-UHFFFAOYSA-N 449.295 5.051 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nc(C(C)C)cs2)[nH]n1 1814827441 PIDLWDWZTMTSDF-LJQANCHMSA-N 441.601 5.064 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](c2ccc(F)cc2)C(C)C)n[nH]1 1822288287 HNLJAHNNBCKJHE-FHZYATBESA-N 440.563 5.193 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ccncc23)CC1 1823752989 AKBSYJULEMWYMM-RUZDIDTESA-N 447.623 5.461 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cccc(O)c2)CC1 1823753641 WTHKJUKNKYQFER-BYUVYSIJSA-N 438.612 5.018 30 20 IKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccsc2)CC1)c1ccccc1 1825794684 SCZFUGJCRRGODZ-LOSJGSFVSA-N 448.632 5.179 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)cc2OC)CC1 1829071679 VTOQFFVBXNYJQY-JOCHJYFZSA-N 444.591 5.060 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)c(F)c2)CC1 1829964040 OUMAGFXADULIIK-DEOSSOPVSA-N 426.576 5.136 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 1832029797 QNZPLGXURJEKPV-JOCHJYFZSA-N 449.422 5.420 30 20 IKED CCOc1ccc(-n2c(COc3ccc(Cl)cc3C)nnc2S[C@H](C)C#N)cc1 8622031 BFCISGUQIVCFCN-OAHLLOKOSA-N 428.945 5.211 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccccc2CC)cc1 10174330 AJLWMBVYOBGCHD-UHFFFAOYSA-O 425.524 5.428 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(N(C)C)cc2)c1 10174722 BJSXXRBJVLYEEI-UHFFFAOYSA-O 446.640 5.777 30 20 IKED COc1ccc(/C=C(/C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cc1O 18065112 MKKJESQQKWOHAE-CPNJWEJPSA-N 435.907 5.576 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)c1nnc(-c2cccs2)o1 19296871 KYHRCMYHMFGVMD-CYBMUJFWSA-N 443.529 5.147 30 20 IKED CCCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccccc2SCC#N)c1CC 22142929 LXLPEOZJEPLQLK-UHFFFAOYSA-N 447.560 5.161 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N(CC)c2ccccc2)nnc1-c1ccc(Cl)cc1 23935992 FWTOTMBLQIJQBE-INIZCTEOSA-N 426.973 5.318 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1ccco1 28503990 VOPZXNJMZHUBPV-SFHVURJKSA-N 444.560 5.434 30 20 IKED O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)Nc1ccc(F)cc1C(F)(F)F 409919989 DGKZAQBSSLDSNB-UHFFFAOYSA-N 436.352 6.044 30 20 IKED Cc1ccc(C(=O)Nc2cccc(CNC(=O)N[C@@H](CCC#N)c3ccccc3)c2)cc1 429073283 BIWNOSKENQTDGH-DEOSSOPVSA-N 426.520 5.092 30 20 IKED C[C@H](NC(=O)c1cccc(SCC#N)c1)c1cccc(NC(=O)Cc2ccccc2F)c1 429952447 SOAKXTFFWDHKSX-KRWDZBQOSA-N 447.535 5.114 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)cc1 431811873 LWRGGQIDASDIDN-IBGZPJMESA-N 430.321 5.758 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1sc2ccc(C#N)cc2c1C 431998932 OPEDZCIMQPOZRS-UHFFFAOYSA-N 425.513 5.894 30 20 IKED CCC(CC)n1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)n1 432649021 ZGFXIIXZBJWSHT-UHFFFAOYSA-N 447.486 5.434 30 20 IKED CC(C)c1nc(C2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CC2)no1 432997612 XVPRLSNYQVFTTD-UHFFFAOYSA-N 449.486 5.408 30 20 IKED Cc1cnc(C2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CC2)s1 433491975 CFKUQTAMESHVRG-UHFFFAOYSA-N 436.512 5.666 30 20 IKED COc1ccc(CCN(Cc2ccsc2)C(=O)Nc2ccc(F)cc2C#N)cc1OC 435157458 CDDZYDZTEUNQPY-UHFFFAOYSA-N 439.512 5.053 30 20 IKED COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)Nc2cc(C#N)ccn2)cc1 436012575 JVAUPOLNLLSJEH-RGEXLXHISA-N 432.483 5.249 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 436333868 KIELPLJFQCSEGS-QGPMSJSTSA-N 433.499 6.167 30 20 IKED C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](CCC#N)c2ccccc2)cc1 439426002 VAYXCSSSSUVQFV-YADARESESA-N 443.572 5.640 30 20 IKED N#CCC[C@@H](NC(=O)Nc1ccc(Cl)cc1I)c1ccccc1 439493653 NDLMITIPXZNPBD-OAHLLOKOSA-N 439.684 5.111 30 20 IKED C[C@@H](Nc1ccc(COCc2ccccc2)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 439652661 QVPPCNCJIPRVBC-HXUWFJFHSA-N 431.511 5.290 30 20 IKED C[C@@]1(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCCN(C(=O)c2ccccc2)C1 460166744 WDTHSKXXHLGASD-HHHXNRCGSA-N 439.515 5.232 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 463680275 ADWJIEDSABJVHF-UHFFFAOYSA-N 432.572 5.274 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2ccccc2C(F)(F)F)on1 463950513 NSACKCHEMUUZCA-CYBMUJFWSA-N 431.439 5.864 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(CC(F)(F)F)c2)cc1 464430269 PITCLQGOGXRSGR-UHFFFAOYSA-N 426.463 6.208 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc(C)c1OCc1cccnc1 464466277 LCHMINJPSALIQA-IBGZPJMESA-N 425.410 5.181 30 20 IKED C=C(C)CN1CCC(NC(=O)N[C@@H](c2cccc(SC)c2)c2cc(F)ccc2F)CC1 465863930 RWAIRRAJMYKSOB-QHCPKHFHSA-N 445.579 5.116 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)c1ccc(-c2ccccc2OC)cc1 466074382 KRXBOVBKLYXBFN-FQEVSTJZSA-N 425.532 5.693 30 20 IKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cc2ccccc2o1 466421497 DQFJIGWEYHNTOX-SFHVURJKSA-N 425.488 5.961 30 20 IKED Cc1nnc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cc2)o1 468716500 RWFQZHFECOTEJI-UHFFFAOYSA-N 432.427 5.322 30 20 IKED CCCc1c(NC(=O)c2ccc(Br)c(C)c2F)cnn1-c1cccc(C#N)c1 468906394 ITOWEXPLYAEPKO-UHFFFAOYSA-N 441.304 5.159 30 20 IKED CCOCCOc1c(Cl)cccc1NC(=O)c1cn(CCCC#N)c2ccccc12 469112394 ZSSUFOVYJJCKBR-UHFFFAOYSA-N 425.916 5.266 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCC[C@H]3c3cccc(Cl)c3)ccc21 470561987 YCSVZHIJDNMIEL-NRFANRHFSA-N 436.943 5.292 30 20 IKED CC(C)N(Cc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470567612 ZBBHPMGFTXJHHP-UHFFFAOYSA-N 438.959 5.365 30 20 IKED Cc1nc2ccc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)cc2o1 470831041 KQQMQNLFYHRCPW-UHFFFAOYSA-N 442.422 5.326 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)c2ccc(C(C)(C)C#N)cc2)nc1-c1ccccc1 476073826 NCVDNVDNUUNDCY-QFIPXVFZSA-N 427.548 6.243 30 20 IKED CC[C@H](N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F)c1ccc(C#N)cc1 479520228 WGHQYAHCALZVCN-ROUUACIJSA-N 427.264 5.114 30 20 IKED O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccc(-c2cncnc2)cc1F 481696544 NVJVESWCLZZPLQ-QGZVFWFLSA-N 443.322 5.335 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cnn(Cc3ccccc3)c2)cc1 481832573 ZGOWLUAVCJYBGP-UHFFFAOYSA-N 438.556 5.025 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3C[C@H](c4ccccc4)[C@H]4CCC[C@@H]43)ccc21 482276469 ZRHZDPLKPJWXNL-OYRHQHFDSA-N 442.563 5.070 30 20 IKED N#C[C@@H](C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1nccc2ccccc12 483231994 SEWKKOOJOHXGRO-HSZRJFAPSA-N 439.540 5.748 30 20 IKED N#C[C@@H](C(=O)c1cccnc1Oc1ccc(Cl)cc1Cl)c1nccc2ccccc12 483243734 MUYPSPHDVYRJEP-GOSISDBHSA-N 434.282 6.219 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCCC[C@@H]3c3ccc(F)cc3)c2)c1 483463376 CCZOEDKDQYYGJM-XMMPIXPASA-N 442.494 5.709 30 20 IKED C=CCC[C@H](NC(=O)C1CCC(OC[C@H]2CCCO2)CC1)c1ccc(C(F)(F)F)cc1 486781204 STZKFNYXIDEHCW-HRAFCDAUSA-N 439.518 5.583 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)c2)cc1 498186357 RVGFVZRHUBHYSR-UHFFFAOYSA-N 438.443 5.040 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@@H](C#N)c1ccccc1Cl 499923901 SIJLFFALRFIFHW-UGSOOPFHSA-N 446.359 5.651 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCC(=O)N1CCc2sccc2C1 500736357 DMJRSGNWFMKBNB-UHFFFAOYSA-N 445.544 5.024 30 20 IKED N#Cc1ccc(CN(C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)C2CC2)cc1 506843238 WEKSNHWNMZYCCZ-UHFFFAOYSA-N 439.519 5.076 30 20 IKED C[C@H](Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1)C(=O)Nc1ccccc1C#N 507880594 OECKMFZWKFTASZ-HNNXBMFYSA-N 443.894 5.386 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)cc1 508145083 RXSDFKUSELKRAS-UHFFFAOYSA-N 443.528 5.623 30 20 IKED COc1cccc(-c2c[nH]cc2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 509722850 BKNUUGFZGJDSQK-UHFFFAOYSA-N 437.499 5.588 30 20 IKED CC(C)N(Cc1ccc(F)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 509945602 UFGDFIOKDZOORK-UHFFFAOYSA-N 435.474 5.858 30 20 IKED CC[C@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(Cl)cc1 510242350 IHQOGMOCBHKNPK-KRWDZBQOSA-N 443.985 5.628 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 510301549 FBUJJKIAABTNGC-UHFFFAOYSA-N 439.987 5.128 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)cc1 511019728 VXRDAYQKVXSSCG-XMMPIXPASA-N 433.552 5.269 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1ccc(C(F)(F)F)cn1 512483657 MUCCQLIUPNAJKR-ZDUSSCGKSA-N 425.197 5.083 30 20 IKED C=CCn1c(SCCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1cccc(C)c1 514898355 XFRRDPAAFFGDFZ-UHFFFAOYSA-N 447.391 5.867 30 20 IKED N#Cc1cc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccc3ccccc3c2)ccc1Cl 517611174 APLVVOPBHKXRKB-DEOSSOPVSA-N 439.902 5.209 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1 518016325 KQPFWHSHIQNWEW-RPWUZVMVSA-N 434.442 5.279 30 20 IKED Cc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1NC(=O)C(C)(C)C 518930188 ZSPAZEWSCIOALR-UHFFFAOYSA-N 431.492 5.276 30 20 IKED COc1ccccc1Oc1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 520588998 HTZRVKCSNBXPPC-UHFFFAOYSA-N 443.503 5.434 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccccc3OCCc3ccccc3)CC2)c1 520590378 BCJODOMIUPMALH-UHFFFAOYSA-N 441.531 5.255 30 20 IKED Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 520714087 CBUASGPXTHCZMS-UHFFFAOYSA-N 431.467 5.189 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1COc2ccc(Cl)cc2C1 521734279 LOHIIFOIFYMQIX-CYBMUJFWSA-N 440.874 5.554 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cc(N4CCCC4=O)ccc3Cl)cc2)cc1 521951591 KYLLNAWAZZNFGH-UHFFFAOYSA-N 445.906 5.577 30 20 IKED Cc1cc(F)ccc1NC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 523105016 XYYMEYRUCHWMRN-UHFFFAOYSA-N 425.300 5.269 30 20 IKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)ccc1Oc1ccccc1 524363179 UCNNMYYUSRETSO-UHFFFAOYSA-N 432.499 5.085 30 20 IKED C=CCn1c(SCc2nnc(C)n2C)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 524445352 ZXLLNYIKUVPFHU-MRXNPFEDSA-N 442.658 5.073 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N[C@@H]3C[C@H]3c3c(F)cccc3Cl)s2)cc1 525439754 JAORXBFJEHDZTE-CRAIPNDOSA-N 426.904 5.076 30 20 IKED C=CCC[C@H](NC(=O)N[C@H](C)c1ccc([S@](C)=O)cc1)c1ccc(C(F)(F)F)cc1 534441822 RXONOTHXPOTWCF-RWSYHJDXSA-N 438.515 5.511 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccn(-c4ccc(Cl)cc4)n3)n2)cc1 535313148 GWEDYFHCJCEYGR-GOSISDBHSA-N 434.908 5.148 30 20 IKED C=CCn1c(SCc2csc(C3CC3)n2)nnc1-c1ccc(Br)cc1 536091327 RUIYYLFOGSEUNC-UHFFFAOYSA-N 433.400 5.520 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1)c1nnc2n1CCCCC2 536769097 RPYHQKSPAWPZAG-HNNXBMFYSA-N 446.454 5.122 30 20 IKED Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1C(=O)Nc1cc(C(C)(C)C)sc1C#N 536973125 MHOQAIRUVTUIRD-UHFFFAOYSA-N 443.528 5.279 30 20 IKED C=CCCC[C@@H](C)NC(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 537232802 SSPMEKWRBOFPIR-HZPDHXFCSA-N 441.622 5.547 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N(c2cccc(F)c2)C2CCOCC2)c1 537464058 HLYLZOTWRSEYLO-UHFFFAOYSA-N 430.479 5.102 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCCOc1ccc(F)cc1Cl 537624947 XXNWCDWANUZNQK-AWEZNQCLSA-N 438.977 5.482 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3nc4c(cc3C#N)CCCC4)cc(-c3cccs3)nc21 539375128 KXSRXLJEIFTYOD-UHFFFAOYSA-N 442.548 5.138 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1nc(Cc2ccccc2Br)cs1 542395562 SDTPMXKOYFUJGF-UHFFFAOYSA-N 445.342 5.037 30 20 IKED C=C(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(n2cc(Cl)cn2)CC1 555261622 ZXTQYIAJFIMPCD-UHFFFAOYSA-N 447.974 5.069 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)N[C@H](c1cccs1)C1CC1)c1ccc(C(F)(F)F)cc1 563508393 CNRGQLJVVFDNCK-MJGOQNOKSA-N 436.499 5.158 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@H]2CCCCC[C@H]2c2ccc(Cl)cc2)CC1 578212179 ZAQMAMSJRZXPIH-VXKWHMMOSA-N 436.987 5.418 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(-c4ccccc4)cc3F)CC2)c(F)c1 588233386 DQPYQQRWBGGIDB-UHFFFAOYSA-N 433.458 5.579 30 20 IKED C=C1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2cccc(OC)c2OC)CC3)CC1 595460266 VRCSAUXXHPFGKD-ZPHPHTNESA-N 440.543 5.531 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C)Nc1cccc(OCc2cccc(C#N)c2)c1 604044560 XAJBRPDDVBDSIA-IBGZPJMESA-N 427.548 5.701 30 20 IKED N#CCCCOc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 604175486 IPPBABOEALNVRS-UHFFFAOYSA-N 427.529 5.785 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 609296254 OIVAFKYXRZSOOS-QFIPXVFZSA-N 433.483 5.040 30 20 IKED Cc1cc(Cl)ccc1NC(=O)[C@@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 609387147 PQHOHMFJJNEOLT-CYBMUJFWSA-N 441.906 6.112 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCOc1ccc(Br)cc1 609436662 QYYRKWITXHHQBM-AWEZNQCLSA-N 434.359 5.044 30 20 IKED CCCN(C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@@H]1CCc2ccccc21 609943184 KHMBQLUHXQMIPW-RUZDIDTESA-N 439.515 5.215 30 20 IKED CC(C)OCCOCc1cccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1 609987610 TUUXVGWMOJTBRQ-UHFFFAOYSA-N 429.520 5.496 30 20 IKED CN1CCC[C@@H](CNc2c(C#N)nnc3ccccc23)[C@@H]1c1ccc(C(F)(F)F)cc1 610131305 NKIZEKMBGNQXQB-AOMKIAJQSA-N 425.458 5.015 30 20 IKED C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 611556543 YIDCIXJYIPMRLB-ALKREAHSSA-N 435.877 6.190 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC=C(c2ccc(F)cc2)CC1 612805557 KBVCNXWCSKKHSD-QLPKVWCKSA-N 438.387 5.534 30 20 IKED COc1cccc2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)oc12 613346368 HHKOGCOSOFWHBX-CQSZACIVSA-N 443.311 6.362 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3C(=O)c3ccc(F)cc3)cn2)cc1 618045015 OUBPNXPXZMIYOL-UHFFFAOYSA-N 437.430 5.368 30 20 IKED C=CCOc1ccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1 642303536 PGFHJHUXJCSPOS-HXUWFJFHSA-N 433.335 5.192 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC[C@@H](c2ccc(F)cc2)C1 674861850 LTIIFGLZKULFIU-MGPQQGTHSA-N 426.376 5.234 30 20 IKED Cc1c([C@H](C)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cnn1-c1ccc(F)cc1 675739150 UPJZJKAHKVAOLE-YYWXWVFPSA-N 437.403 5.880 30 20 IKED CC(C)c1c(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cnn1-c1ccc(C(F)(F)F)cn1 677557808 QXXKACSKRDZXJR-QGZVFWFLSA-N 449.436 5.448 30 20 IKED FC(F)C(F)(F)COCc1noc(-c2cnc(-c3ccc(C(F)(F)F)cc3)s2)n1 683604898 MMGJSJAVGXAYBK-UHFFFAOYSA-N 441.328 5.296 30 20 IKED Cc1ccc([C@@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)N2CCCC2)o1 726074495 QASVMUKIBRLWRY-BJKOFHAPSA-N 428.536 5.202 30 20 IKED Cn1c(C(=O)[C@H](C#N)c2nc3ccccc3s2)ccc1-c1ccccc1Br 726317615 BNIODGBORSGHAK-AWEZNQCLSA-N 436.334 5.554 30 20 IKED N#Cc1ccc(NC(=S)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1Cl 726475008 OFRMWAMDVWQJAK-OAQYLSRUSA-N 449.942 5.428 30 20 IKED N#CCOc1ccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 727678383 CWDVMNOMUBMHCY-UHFFFAOYSA-N 442.906 5.025 30 20 IKED C[C@@H](C#N)Oc1ccc(/C=C\C(=O)c2ccc(Br)cc2Br)cc1 728694820 KPRPUAPNRSAGEV-REPPVQDKSA-N 435.115 5.399 30 20 IKED COc1ccc2cc(/C=C\C(=O)N[C@@H](C#N)c3ccc(OC(F)(F)F)cc3)ccc2c1 731197118 OFXXLJXVSAKNBY-BKEPZNJQSA-N 426.394 5.141 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 731224369 RPTFFWIQFTVFGB-RUZDIDTESA-N 436.515 5.008 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2cccc(OCc3cccc(C)c3)c2)ccc1OC 733227776 DETHQUZBRMKOAJ-HSZRJFAPSA-N 444.531 5.194 30 20 IKED C[C@@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nc2ccc(Cl)cc2[nH]1 734327132 RWGKZGWYHPSELP-OAHLLOKOSA-N 430.895 5.158 30 20 IKED N#CCN(Cn1nc(Nc2ccc(SC(F)F)cc2)sc1=S)C1CCCC1 738257140 YCKPNBPQPRNYIT-UHFFFAOYSA-N 427.571 5.458 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)OC(=O)CCc1c(C)nc(O)c(C#N)c1C 739306322 UIZIVCRKKIAGQW-HNNXBMFYSA-N 439.512 5.084 30 20 IKED COc1ccccc1-c1ccc([C@H](C)NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 741639993 KEKGIPGRSUZVQV-KRWDZBQOSA-N 425.488 5.417 30 20 IKED C#CCN1CCC(C(=O)N2C[C@H](c3ccccc3Cl)c3c([nH]c4ccccc34)[C@@H]2C)CC1 742275548 CGWLIRSHLWSIBN-PGRDOPGGSA-N 445.994 5.202 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1C(F)(F)F 744061168 HUDUVNXHZDRVHI-SUMWQHHRSA-N 425.435 5.681 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCNc3cc(Cl)ccc3OC)n2)cc1 744063125 XTCIMMBCQDJYGM-KRWDZBQOSA-N 441.940 5.159 30 20 IKED Cc1nc(CSc2ccc(C(=O)OCc3nnc(-c4cccc(C#N)c4)o3)cc2)cs1 744637087 LFZINUFXEQXGOB-UHFFFAOYSA-N 448.529 5.023 30 20 IKED C[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nc2ccccc2o1 746649241 LCPQQVQYKFANML-KRWDZBQOSA-N 427.529 5.525 30 20 IKED Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(C)(C)C 751016368 IBRKCYBYHYRTAD-JWQCQUIFSA-N 439.559 5.493 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)OC(=O)c1cc(C#N)cn1C 751287438 UYVMDVMVZRZOFN-GFCCVEGCSA-N 430.327 5.009 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2Cc3ccccc3C[C@H]2c2ccccc2)cc1C#N 752304961 JTRKYYFIXMSYGB-DEOSSOPVSA-N 440.503 5.458 30 20 IKED Cc1cc(/C=C2/CC(O)(C(F)(F)F)C/C(=C/c3cc(C)c(O)c(C)c3)C2=O)cc(C)c1O 764432769 MOAJQPNYXSLLQQ-QJUDHZBZSA-N 446.465 5.455 30 20 IKED Cc1nn2c(C=NNc3ncnc4sc(-c5ccccc5)cc34)c(C(C)C)nc2s1 766687490 FXCWILMNOHQNNO-UHFFFAOYSA-N 433.566 5.340 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCOc3ccc(C(C)C)cc3C2=O)cs1 767739752 ZOSLQOFQAYQYFB-DEDYPNTBSA-N 446.572 6.308 30 20 IKED N#C[C@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)c1nc(-c2ccncc2)cs1 770419990 VIACOQVEHOLACE-INQNZLQJSA-N 433.842 5.681 30 20 IKED C#CC[C@H](NC(=O)N1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1)c1ccccc1 772382853 BIGZJEXNSSTVCM-UNMCSNQZSA-N 445.588 5.472 30 20 IKED C=C(C)[C@H](NC(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1)c1ccc(F)c(F)c1 773473966 NRIBLKLPTSRAPO-FCHUYYIVSA-N 434.914 5.391 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C 778263529 VGUQKNJBFSAWDG-QGZVFWFLSA-N 438.528 5.084 30 20 IKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)Nc3ccccc3O[C@H](C)C#N)c2)c1 780685605 VKFJOKRFGPCTIJ-GOSISDBHSA-N 443.507 5.252 30 20 IKED N#Cc1ccc(Oc2ccc(OC(=O)c3cnn(-c4ccncc4)c3C(F)F)cc2)cc1 783981270 NVIHSPDUCJIRSM-UHFFFAOYSA-N 432.386 5.088 30 20 IKED C[C@@H](NC(=O)[C@@H](C#N)C(=O)c1sccc1Br)c1ccc(Cl)cc1Cl 787049239 GLFDEWSYQJLMTP-KCJUWKMLSA-N 446.153 5.017 30 20 IKED N#CCCn1cc(CNc2cccc(CC[C@@H](O)c3ccccc3)c2)c(-c2ccncc2)n1 788522741 DPBUPNFSMAOAJN-AREMUKBSSA-N 437.547 5.137 30 20 IKED N#C[C@H](C(=O)CCCSc1ccc(Br)cc1)c1nccc2ccccc12 792103926 MEBZXEPIFNEDCM-LJQANCHMSA-N 425.351 5.746 30 20 IKED COc1ccc(-c2cc(N[C@@H]3CCN(c4ccc(C#N)cc4)C3=O)ccc2OC(F)F)cc1 797853809 MRCZRTFELYFXFQ-JOCHJYFZSA-N 449.457 5.053 30 20 IKED Cc1ccccc1[C@@H](O)C1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1 804514522 KLBQPBUNAFISKJ-SANMLTNESA-N 442.584 5.604 30 20 IKED C=CCOc1cc(OC)ccc1-c1nc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)no1 809432442 KECSHLQRXOESTB-UHFFFAOYSA-N 437.496 5.248 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)OCC(=O)c1ccc(C#N)cc1 825349113 VBCAZDPCJIIYFT-UHFFFAOYSA-N 430.407 5.049 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1 875067878 GSVYTNJPKIXINS-UHFFFAOYSA-N 434.521 5.205 30 20 IKED Cc1ccc(OCc2nc(CC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cs2)cc1 915101373 AIXBOOOFKOEHKB-FQEVSTJZSA-N 445.569 5.573 30 20 IKED CC(C)OC(=O)C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 915352931 PIGTTWDFZREWKF-DQEYMECFSA-N 441.531 5.547 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(C3CC3)C2=O)c1 916215543 XMNAOZJKHQBHAJ-LJQANCHMSA-N 427.957 5.080 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 916883375 KCKOFMKLYQAXEI-NRFANRHFSA-N 440.890 5.154 30 20 IKED Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1 916886660 IKPSBVKBYUKMLY-KXBFYZLASA-N 446.519 5.548 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(COc2ccc(F)cc2)o1 916926984 BKSLRABBCGYLCN-INIZCTEOSA-N 447.249 5.266 30 20 IKED N#C[C@H](C(=O)c1ccc(CN2CCCCC2=O)cc1)c1nc(-c2ccc(Cl)cc2)cs1 916976179 MQCFASUJUHUQJV-HXUWFJFHSA-N 449.963 5.466 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 917026715 MWESTYKPDAATLV-NRFANRHFSA-N 446.963 5.685 30 20 IKED COc1ccccc1/C=C(\C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccccc1 917045864 BPSMEBVXAAANFN-DTBYZMGXSA-N 444.943 6.375 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2NC(=O)c2ccoc2)cc1 917119468 HCYLNTLNKXOYPR-QHCPKHFHSA-N 439.446 5.579 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc3c(c2)OCCO3)cs1 917562235 XAQMNJASEUBJTJ-YVMONPNESA-N 440.908 5.148 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@@H](C#N)c1ccc2ccccc2n1 920106105 KQRTZKVANCUFDD-BEFAXECRSA-N 447.947 6.041 30 20 IKED COc1ccccc1SCc1nnc(N(C)C[C@H](C)C#N)n1CC1CCC(F)(F)CC1 1300670219 VSPPWILBUSVEAT-MRXNPFEDSA-N 449.571 5.000 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](OC)c3ccccc3)cc2)CCC1 1787851394 KCWRHLMODXGZEC-ZEQRLZLVSA-N 432.564 5.277 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc4ccoc4s3)cc2)CCC1)C(F)(F)F 1788415838 YFPLYFHLBWWSSB-UHFFFAOYSA-N 434.439 5.361 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H](C)Sc4cccs4)cc3)CCC2)C1 1789414119 SMHHXSCTDSTGAQ-INIZCTEOSA-N 426.607 5.329 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)C[C@@H]4C[C@@H]5CC[C@H]4C5)CCC3)cc2)cc1 1790708543 IMZCYYKAWWKONA-PUHATCMVSA-N 441.575 5.327 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3c4ccccc4n4ccsc34)CCC2)cc1 1792265298 LMXSWFAZJSDLEO-UHFFFAOYSA-N 441.556 5.315 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3cc(Cl)ccc23)n[nH]1 1818593583 ZGZIQTVCAAAKHE-XOBRGWDASA-N 439.947 5.063 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C)c(F)c2F)n[nH]1 1823191374 FKANUVNQHINSRD-LJQANCHMSA-N 442.510 5.071 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3cccnc23)CC1 1823751915 DDDYSOIIRIAFQD-DEOSSOPVSA-N 447.623 5.461 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ccn(C)c23)CC1 1824142578 YILZYWYEYBXUJZ-RUZDIDTESA-N 447.623 5.180 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cnc2Cl)CC1 1828823852 YDIMPHBOCRGIKW-IFMALSPDSA-N 444.019 5.045 30 20 IKED Cc1ccsc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832634171 IRPLYLQESNEICF-WMZHIEFXSA-N 449.620 5.231 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)c(F)c1)=C(/S)Nc1ccccc1Cl 10826620 FADFEWIFXCXFTO-UHFFFAOYSA-O 431.915 5.519 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)n(C2CCCC2)c1C 12259782 LYDJXWZXGDIHII-UHFFFAOYSA-N 434.323 5.194 30 20 IKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1ccccc1)c1ccc(Cl)s1 15248001 POBZJNZPSAEALB-UHFFFAOYSA-O 442.800 6.047 30 20 IKED CC(C)CC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 25496656 HNNWERRPGFVLTF-INIZCTEOSA-N 438.597 5.312 30 20 IKED COc1cc(F)ccc1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 26027054 UFLHFKOYCBBERF-UHFFFAOYSA-N 447.310 5.310 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1 29572880 QUDHUGQCMSYTTC-UHFFFAOYSA-N 433.895 5.131 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2cc(C)c(C)cc2C)nnc1[C@@H]1COc2ccccc2O1 115027517 WZEGZPUZBYEPMI-GCJKJVERSA-N 449.576 5.265 30 20 IKED C=CCn1c(S[C@H](C)c2nc(CC)no2)nc2scc(-c3ccc(C)cc3)c2c1=O 248055810 BPOJOCFCYPMSCW-CQSZACIVSA-N 438.578 5.418 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)CCC)cc2)nnc1-c1ccccc1 248139703 BJHQJRRVJTUSQB-KRWDZBQOSA-N 434.565 5.233 30 20 IKED C=CCn1c(SCc2csc(COc3ccc(F)cc3)n2)nc2sccc2c1=O 302765769 DZAFHYLMUOSCIF-UHFFFAOYSA-N 445.566 5.111 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cc2c(cc1Cl)OCCCO2 302894827 DMPDRPXSIQTVDQ-UHFFFAOYSA-N 436.920 5.776 30 20 IKED CCc1ccc(-n2nc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c3c2CCC3)cc1 303296894 CDBZTCZHOWISQG-KRWDZBQOSA-N 430.577 5.570 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)o1 410393154 UMOAHXIEADYXDT-UHFFFAOYSA-N 434.345 5.063 30 20 IKED CO[C@@H](C)c1nc(C)c(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)s1 429340337 UVYPHNVFAZIFDL-INBNFPSNSA-N 441.622 5.573 30 20 IKED COc1ccc([C@@H](Cc2ccccc2C)NC(=O)c2cccc(SCC#N)c2)cc1OC 429864268 YUUDEWNJRDBTGV-HSZRJFAPSA-N 446.572 5.342 30 20 IKED N#C[C@@H](C(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nc2cc(Cl)ccc2s1 431138134 MOKGXOYDTYQGLY-LBPRGKRZSA-N 436.674 5.110 30 20 IKED N#CCC[C@H](c1ccccc1)N1C(=O)[C@H](c2ccc(Cl)cc2Cl)N(C2CC2)C1=O 432395952 BPOXGULQRIUUNK-UXHICEINSA-N 428.319 5.506 30 20 IKED N#CCCCOc1cccnc1NC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 432428187 IZQUEARMYCSGFM-QGZVFWFLSA-N 447.308 5.035 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)CCCC(=O)Nc1ccccc1C#N)C1CC1 432480147 VDTBFVQCJAZGOF-MRXNPFEDSA-N 443.469 5.438 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1Cc2ccccc2O[C@@H](C)C1 432875953 YWKIXYKTHRPCIG-IBGZPJMESA-N 427.504 5.261 30 20 IKED COC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ccccc1SC[C@H](C)C#N 435867085 YRRUCPYVOGOWHY-QGZVFWFLSA-N 430.529 5.644 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](Cc1ccc(Cl)cc1F)C(C)=O 436208810 KFZRJDUIYCGZNR-FQEVSTJZSA-N 429.948 5.140 30 20 IKED COCCn1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c2ccccc21 437498697 UBSQOXUJVWISKG-UHFFFAOYSA-N 429.451 5.343 30 20 IKED CC(C)(CO)[C@H](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccccc1 438172359 AYXFFQGRUWQTOV-JOCHJYFZSA-N 432.495 5.022 30 20 IKED C=CCC[C@@H](NC(=O)N(Cc1ccc(C(N)=O)cc1)C1CC1)c1ccc(C(F)(F)F)cc1 441499523 LLXVFJBPUYOTFS-OAQYLSRUSA-N 445.485 5.186 30 20 IKED CC(C)c1nc([C@H]2CCCCCN2C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)no1 442058280 XGBINTZYEJVTTE-OAHLLOKOSA-N 437.422 5.112 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cc4c(cc3Br)CCC4)cc2)nc1 443857793 IVYKMMGXIYFGFU-UHFFFAOYSA-N 434.293 5.249 30 20 IKED Cc1cccc(CN(Cc2ccccn2)C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1 443902744 SNSWQNKGUXIAFF-UHFFFAOYSA-N 432.527 5.419 30 20 IKED COc1ccc(C2(NCCC(C#N)(c3ccccc3)c3ccccc3)CCOCC2)cc1F 444808508 SDBLBRKQTNSOBQ-UHFFFAOYSA-N 444.550 5.330 30 20 IKED CN(C(=O)c1ccc(Cl)c(NC(=O)C2(c3ccc(C#N)cc3)CC2)c1)c1ccccc1 445836714 AMGMMRFKVDFTOC-UHFFFAOYSA-N 429.907 5.159 30 20 IKED CN(C)[C@@H]1CCOc2c(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cccc21 447730300 PTXZNOVUCZAFLB-HSZRJFAPSA-N 443.572 5.488 30 20 IKED Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)c2ccc(F)c(C(F)(F)F)c2)n1 448457453 SHVMWBRMPDCXCK-UHFFFAOYSA-N 433.283 5.474 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 460955721 GHBJXJSJOKPUOM-INCQDFKNSA-N 446.979 5.249 30 20 IKED N#C[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccc(Cl)c(Cl)c1 462548488 ICDWGAUQMVDFCF-PJSAGSTRSA-N 427.690 5.245 30 20 IKED C[C@H](C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)c1cccc(C#N)c1 463261503 UTHPNLWIDOTWBS-ZDUSSCGKSA-N 427.382 5.165 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 463706950 ULQINEGWXMOMNI-UHFFFAOYSA-N 431.496 5.015 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 463712758 PGXXJZPPZAGQNJ-RPWUZVMVSA-N 425.536 5.190 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3cnc4ccccc4c3C(F)(F)F)cc2)ccn1 464659867 BSQGLTWJIHIQAT-UHFFFAOYSA-N 434.377 5.565 30 20 IKED CC(C)c1ccc(-c2noc(CCC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)n2)cc1 464934477 CVOXVMMIPWXVCR-GOTSBHOMSA-N 428.536 5.091 30 20 IKED CC(C)c1ccccc1NC(=O)C[C@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469131764 HMNSVEWBKWPCGQ-IBGZPJMESA-N 432.568 5.222 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 469662292 LXYZLGNCFWAAKS-OXQOHEQNSA-N 447.526 6.716 30 20 IKED Cc1ccc(C)c(-n2cnc3cc(C(=O)[C@H](C#N)c4nc(-c5ccncc5)cs4)ccc32)c1 472537861 YGYUWYQINJRZAJ-FQEVSTJZSA-N 449.539 5.651 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3o2)o1 475217306 DJMUPRYJSRMLSD-FQEVSTJZSA-N 427.460 5.239 30 20 IKED N#CC[C@H](CC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)c1ccccc1 476060423 LOPFTVYUAOMVKR-QGZVFWFLSA-N 425.410 5.919 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ncc(Br)cc1Br 476131158 DEFMKFXLGJGBGH-UHFFFAOYSA-N 438.163 5.711 30 20 IKED CCOc1c(Cl)cccc1CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 479662068 PTMUFXUVWOBGEI-UHFFFAOYSA-N 434.923 5.565 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 480262924 JTIFRHUSTGYNQK-UHFFFAOYSA-N 425.411 5.001 30 20 IKED COCCCCNC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482335912 ULWMDFVTVIJWSQ-LBPRGKRZSA-N 440.306 5.053 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCCOc1ccc(C(F)(F)F)cn1 484139314 FAKHJRBORXOAIE-AWEZNQCLSA-N 438.475 5.085 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cccc(COC4CCOCC4)c3)c2)c1 486836026 STODDBWEPGMMQX-UHFFFAOYSA-N 442.515 5.085 30 20 IKED COc1ccc2cc(CN(C)C(=O)CNc3ccccc3S[C@H](C)CC#N)ccc2c1 487357898 PGKNVQWMFDHXHD-GOSISDBHSA-N 433.577 5.313 30 20 IKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N[C@H](CCCC#N)c3ccccc3)cc2)cc1 487566185 BQARWECNTFFAMI-RUZDIDTESA-N 446.572 5.134 30 20 IKED CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CSc1nc(C(F)(F)F)ccc1C#N 488731518 IYXGXABGFUXLTC-UHFFFAOYSA-N 434.270 5.030 30 20 IKED C[C@H](NC(=O)C1CCC(OC[C@@H]2CCCO2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 498945452 BHVCYSXTSKLCDJ-TUXHGLMRSA-N 432.564 5.157 30 20 IKED CCN(CC)c1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cn1 499600384 NHNMECBFMUOBHC-JOCHJYFZSA-N 447.970 5.558 30 20 IKED C=CCC[C@H](NC(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1)c1ccccc1 504418529 KGMGZFFWMXYPJO-YADHBBJMSA-N 449.599 5.135 30 20 IKED N#C[C@H](NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(Cl)c1Cl 505339571 VTIUVROWWMEPLF-HNNXBMFYSA-N 435.698 5.010 30 20 IKED N#C[C@H](NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1cccc(C(F)(F)F)c1 505981571 LPHYUCQPRNFREH-KRWDZBQOSA-N 448.832 5.113 30 20 IKED C=CCOc1cccc(NC(=O)N2CCC[C@@H]2c2ccccc2I)c1 506760090 LURNPHLCKZYDIN-LJQANCHMSA-N 448.304 5.225 30 20 IKED C=CCN(C(=O)[C@@H](C)CC1CCCCC1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 510219162 YWACAZFHGUZDIP-KRWDZBQOSA-N 446.638 5.339 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn2c(-c3ccccc3)ccnc12 510239732 JVRZKFNUBCOTOY-UHFFFAOYSA-N 445.482 5.621 30 20 IKED CCN(C(=O)Cc1csc(-c2cccc(Br)c2)n1)c1ccc(C#N)cc1 510410493 WUUXCOAGUMVBDF-UHFFFAOYSA-N 426.339 5.040 30 20 IKED CC(C)Sc1ccc([C@@H](C)NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1 511175986 ULVWEDHNOIDBBT-QGZVFWFLSA-N 425.573 5.292 30 20 IKED N#Cc1ccc(OC2CCC(NC(=O)N3CCCC[C@@H]3c3cc4ccccc4[nH]3)CC2)nc1 511413345 HNDOEMBJGDIJKC-SLXFGWRHSA-N 443.551 5.061 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(Br)cc2F)c1 512383591 BAWUCOGATVKRHD-UHFFFAOYSA-N 425.257 5.291 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)s2)cc1 512966330 IIGZRNIZBKDIMC-HNNXBMFYSA-N 437.540 5.293 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)NCc2ccccc2OCC(F)(F)F)c1 513464281 WMRLDVWWNOOYET-UHFFFAOYSA-N 440.421 5.008 30 20 IKED COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 515603220 MVQHBDTXUYRWIC-UHFFFAOYSA-N 434.517 5.412 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1 515794960 OIBRYSSUKSQFLG-UHFFFAOYSA-N 443.547 5.121 30 20 IKED Cc1ccccc1-n1nc(C)c(CN(C)C(=O)Nc2ccccc2S[C@H](C)CC#N)c1C 517532629 OUFJIZITBAOPEE-GOSISDBHSA-N 447.608 5.856 30 20 IKED CCOCCOc1ccc(Cl)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 517656346 GBPNOCHYHWLJNU-UHFFFAOYSA-N 437.883 5.067 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Cl)c4c(c3)OCCCO4)n2)cc1 517800815 KJHWCQCFIWKXAQ-MRXNPFEDSA-N 440.908 5.123 30 20 IKED C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 518870728 GRGRKTMHAKLRDT-KCXAZCMYSA-N 437.471 5.173 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 519434045 LEMNDBBKLJVQSN-ZSEKCTLFSA-N 443.981 5.159 30 20 IKED C=CCN(C(=O)c1nc(C(C)C)ncc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 520097794 XGNVRRBGZWCSLN-UHFFFAOYSA-N 443.916 5.118 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCc1nc(-c2cc(Br)cs2)no1 520200567 CNOVSLZLIREABZ-LLVKDONJSA-N 435.372 5.567 30 20 IKED CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)C1 520353804 IVQFSTXCTMZDFK-RXFWQSSRSA-N 447.604 5.330 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2cccnc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 521265928 WEUURMHDGLFRGZ-FQEVSTJZSA-N 431.904 6.141 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1ccc2c(c1)OCCO2 521734591 RQUOPNMYAFQQLP-UHFFFAOYSA-N 436.455 5.054 30 20 IKED Cc1nc(C(C)(C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)sc1C 523017154 ZODZSJGCKDNPDY-LJQANCHMSA-N 438.984 6.126 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnc(-c3ncccn3)s2)cc1Cl 523345417 NSVFEZULYYZKFI-QGZVFWFLSA-N 431.908 5.161 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)cc1 523979985 WYAIDNVATNRBGM-GDLZYMKVSA-N 426.607 5.012 30 20 IKED N#C[C@@H](NC(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1ccc(OC(F)(F)F)cc1 535069360 ZFMGHPGGGARQGQ-HXUWFJFHSA-N 445.441 5.099 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)cc1 535447056 PSMQQNJZHMZOTE-UHFFFAOYSA-N 441.384 5.415 30 20 IKED C[C@@H]1CCC[C@@H](n2c(SCCCC3(C#N)CCOCC3)nc3ccccc3c2=O)[C@@H]1C 537309085 ZLBYIQWUCSRNPT-WOIUINJBSA-N 439.625 5.586 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 538345090 JKEUYRLJNURCGJ-NZQKXSOJSA-N 436.483 5.248 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 538979371 DPZHKAAMFRPWPA-QHCPKHFHSA-N 449.535 6.238 30 20 IKED N#CC1(c2ccc(C(=O)N3CCC[C@@H](Cc4nc(C5CCCCCC5)no4)C3)cc2)CC1 540764913 MYSZELQLMXDACT-IBGZPJMESA-N 432.568 5.157 30 20 IKED Cc1cnc(NC(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1 542107431 LBEGLUHMIFNKBL-SNVBAGLBSA-N 435.246 5.446 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC2CC(OCc3ccccc3)C2)cc1 547362099 HGISBIDAISPRMS-UHFFFAOYSA-N 428.557 5.328 30 20 IKED Cc1cc(CNC(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)no1 547856577 HLPVKQYHABWJMC-LBPRGKRZSA-N 449.273 5.123 30 20 IKED N#Cc1ccc(-c2nnc(N3CC[C@@H](c4ccc(Cl)cc4)C3)n2C[C@H]2CCCCO2)cc1 549998862 XOUUVWQOBWXDST-FYYLOGMGSA-N 447.970 5.033 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ccc(-c2ccccc2)cc1F 551543355 QHFXNFGQECGVGY-KRWDZBQOSA-N 447.535 5.142 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c12 553121239 PYPJWCNESSWSIH-UHFFFAOYSA-N 447.539 5.602 30 20 IKED COc1ccc(-c2ocnc2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 554700132 YKTSADQKAMWBDB-UHFFFAOYSA-N 439.471 5.248 30 20 IKED C[C@H](NCC(=O)N(C)c1nc2ccccc2s1)c1ccc(-c2cccc(C#N)c2)cc1 557931792 TXXPBEYRZRZJIA-KRWDZBQOSA-N 426.545 5.149 30 20 IKED Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)cc2)co1 577320192 DPTASHOICBLSFK-UHFFFAOYSA-N 445.500 5.423 30 20 IKED COc1c(Cl)cc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1Cl 578340857 LMQZGEHJFCSRHB-UHFFFAOYSA-N 438.286 5.088 30 20 IKED C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(Br)cc1F 580737778 JYBDEASHDPEVMP-CYBMUJFWSA-N 443.272 5.123 30 20 IKED Cc1csc(Sc2ccc(C(=O)N[C@](C)(C#N)C3CCCCC3)cc2[N+](=O)[O-])n1 584549168 JKLCZGGXRAROPO-HXUWFJFHSA-N 430.555 5.103 30 20 IKED O=C(Nc1cc(F)ccc1N1CCCCC1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 588950364 NKJAKVHTQBMTPB-STQMWFEESA-N 441.391 5.411 30 20 IKED C=CCn1c(SCc2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccccc1OC 592562319 BTRBJSODFQYZHI-UHFFFAOYSA-N 439.928 5.135 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cc(Br)ccc3Cl)cn2)c1 603622307 SBGYARTZBDNINT-UHFFFAOYSA-N 428.673 5.414 30 20 IKED CC(C)(CCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1 604400867 ZVESEWCPSVFQSX-UHFFFAOYSA-N 427.548 5.821 30 20 IKED COc1ccc2oc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)c(C)c2c1 609061925 KNMDWCJBXHHAOL-UHFFFAOYSA-N 426.472 5.761 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)N[C@H](CCc3ccccc3)c3ccccc3)CC2)c1 609211483 JKZXOMILKWQPOR-HHHXNRCGSA-N 439.559 5.485 30 20 IKED CCn1ncc2c(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc(-c3ccccc3)nc21 609377165 QHGQFOKTRDIOKV-KRWDZBQOSA-N 441.560 5.622 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(COc2ccc3ccccc3c2)o1 609377674 YTJVDJYZXKPGSL-GOSISDBHSA-N 442.540 6.516 30 20 IKED C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 609387128 ONNIPKSBMBGVQR-CHWSQXEVSA-N 441.906 6.050 30 20 IKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc(Oc4cnccn4)c3)c2C#N)C1 609906395 MBAXUNCRYQWCSE-MRXNPFEDSA-N 432.549 5.605 30 20 IKED CC(=O)Nc1c(C)ccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C 611814576 RPPVXXKUVKVFEN-GOSISDBHSA-N 426.520 5.683 30 20 IKED Cn1nc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c2ccccc21 612749036 JYIGUQUMEZGMJB-FQEVSTJZSA-N 429.911 5.204 30 20 IKED Cn1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(Cl)c2ccccc21 613320032 SIFJTVUKHSGYIM-HNNXBMFYSA-N 426.328 6.099 30 20 IKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 613403168 MSUHNKVBHFBSTH-GFCCVEGCSA-N 431.970 5.794 30 20 IKED CCc1c(NC(=O)N[C@H](C)c2cccc(C#N)c2)cnn1-c1ccc(C(F)(F)F)cc1 616871045 YVEJNVNQCPZWKR-CQSZACIVSA-N 427.430 5.208 30 20 IKED O=C(NCCc1cccc(C(F)(F)F)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 622616937 QSFBSLKHWVIRRV-UHFFFAOYSA-N 430.270 5.111 30 20 IKED N#C[C@H](C(=O)c1sc(-c2ccccc2)nc1C(F)F)c1nc2ccccc2n1C(F)F 677791343 MKNFRAXLZVLJLC-GFCCVEGCSA-N 444.413 5.983 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nn1-c1ccc(F)cc1 679090706 GWSLBDOMAQRHMH-OAHLLOKOSA-N 444.413 5.438 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCC(c2ncc3n2CCCC3)CC1 683936099 LIUNNYKZVULYCY-UHFFFAOYSA-N 430.577 5.092 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)C3(c4cccc(Cl)c4)CC(=O)C3)c2)cc1 685624557 DVCSZKYRCBTPNP-UHFFFAOYSA-N 444.918 5.224 30 20 IKED CCCN1CCN(c2ccc(NC(=S)Nc3ccc(C#N)c(Cl)c3)cc2Cl)CC1 726476548 IWRPXSPLIBCZDL-UHFFFAOYSA-N 448.423 5.206 30 20 IKED CC(=NNc1ccc(S(=O)(=O)C(F)F)cc1)c1sc(-c2ccc(C)cc2)nc1C 727651054 FNIKSKNYZLWWPZ-UHFFFAOYSA-N 435.521 5.259 30 20 IKED Cc1csc([C@H](C#N)C(=O)COC(=O)[C@@H](Oc2cccc(C(C)C)c2)c2ccccc2)n1 730642617 BQDDHFOBQUCHKJ-GGAORHGYSA-N 448.544 5.115 30 20 IKED COc1ccc2oc(C(C)=NNc3cc(C(F)(F)F)nc(-c4ccccn4)n3)c(C)c2c1 733079433 AXDHZIJCDKHDOA-UHFFFAOYSA-N 441.413 5.457 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cccc(Oc3ccccc3)c2)ccc1OC 733628148 MADDRXMPGINZMI-FQEVSTJZSA-N 431.492 5.490 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](c3ccccc3)N3CCCCC3=O)n2)cc1 733679768 NUSVVGRGKZGQDX-NFBKMPQASA-N 429.545 5.049 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cccnc2Sc2ccc(C)c(C)c2)c1 733773240 WGQTXPAFYAXVTP-FQEVSTJZSA-N 431.561 5.461 30 20 IKED C=CC[C@@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccncc1 734457238 IMPOBJMBGFCMJF-XMMPIXPASA-N 426.495 5.050 30 20 IKED Cc1c(Cl)cccc1N=C1SCCN1C(=O)c1ccc(OC2CCOCC2)cc1 741885480 RQSRPAAKROCVBN-UHFFFAOYSA-N 430.957 5.083 30 20 IKED COc1ccc(Cl)c(NC(=S)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 742987726 OKWUATUPHPKPLC-UHFFFAOYSA-N 437.952 5.803 30 20 IKED COc1ccc(Cl)c(N2C(=O)/C(=C/c3cccc(OCCCC#N)c3)SC2=S)c1 743284449 MWIMMFBODNINHI-UNOMPAQXSA-N 444.965 5.437 30 20 IKED Cc1c(Cl)cccc1-n1ccnc1SCC(=O)[C@@H](C#N)c1nc(C(C)C)cs1 747192860 BOGJBQKFWGZCBK-CQSZACIVSA-N 430.986 5.383 30 20 IKED CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccccc2Sc2ccccc2C#N)c1C 750092364 GWBSEIFHNPZJTN-KRWDZBQOSA-N 446.528 5.285 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCC2([C@@H](O)c3ccccc3)CC2)cc1 752356063 YYMCVXCZHSGTNJ-DEOSSOPVSA-N 428.557 5.094 30 20 IKED FC(F)(F)Cn1c(SCC#Cc2ccc(C(F)(F)F)cc2)nnc1-c1ccncc1 754276143 UQCIQJHNUYYXAM-UHFFFAOYSA-N 442.388 5.065 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cc(N3CCCC3=O)ccc2F)cc1 756915881 DNTGGLNAUVRQAV-UHFFFAOYSA-N 429.451 5.177 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N[C@H]3CC4(CCC4)Oc4ccccc43)s2)cc1 757722463 MCQIGDZNWYQTFU-FQEVSTJZSA-N 430.533 5.174 30 20 IKED O=C(/C=C\c1cc(Br)cc(C(F)(F)F)c1)c1cccc(N2CCOC2=O)c1 759077966 XYKYSTSPNSNRKP-PLNGDYQASA-N 440.215 5.321 30 20 IKED C#CCOc1ccccc1-c1noc(CSc2nnc(-c3ccccc3)n2[C@@H](C)CC)n1 761996600 OATYFBWTOJRNGQ-KRWDZBQOSA-N 445.548 5.270 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCCCC[C@H]2C[C@H](O)c2ccccc2)o1 764386705 WUYJOGVFQBRRHF-UPVQGACJSA-N 444.531 5.239 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CC[C@@H](CC(F)(F)F)C2)c1=S 766121494 VUBDLUZHDJOAOK-AWEZNQCLSA-N 446.926 5.064 30 20 IKED Cc1cc(Br)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 766840595 KGTQVRRLCXGCRY-LJQANCHMSA-N 449.304 5.511 30 20 IKED N#C[C@@H](NC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1cccc(Br)c1 768185515 QBNKGQDVFMVPGX-JOCHJYFZSA-N 443.304 5.054 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1ccc2ccccc2c1 768407631 TXCLJWAQWSDYMQ-SFHVURJKSA-N 444.560 5.316 30 20 IKED N#CCCn1cc(CN2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)c(-c2ccccc2)n1 770289101 BTSQABULLXAHEF-CLJLJLNGSA-N 428.580 5.332 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC=C(c3ccc(Cl)nc3)CC2)cc1C 773835020 IMGGDNIAHJXNLY-UHFFFAOYSA-N 445.954 5.059 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)cc1 775486501 CHPCREAGQDABPP-ISKFKSNPSA-N 436.515 6.242 30 20 IKED CCc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccc(C3(C#N)CC3)cc2)cs1 777173824 JKKRJVVYQGIIFF-UHFFFAOYSA-N 445.544 5.302 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 779019817 IDYBAAGXCHPUNV-MAFNXUKGSA-N 438.575 5.374 30 20 IKED CC1(C#N)CCN(Cn2nc(-c3ccc(C(C)(C)C)cc3)n(Cc3ccco3)c2=S)CC1 779879092 RDDBGQZSEDMMCL-UHFFFAOYSA-N 449.624 5.603 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1ccccc1O[C@H](C)C#N 780554249 ORGYMCSFKGPERP-GOSISDBHSA-N 426.476 5.381 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N(C)CCCCCc1cc(-c2ccccc2)no1 780671960 ZOJOPHUDNXNCDT-LJQANCHMSA-N 432.524 5.509 30 20 IKED CC(=O)Nc1ccc(C(=O)/C=C\c2cnc(-c3ccc(Br)cc3)s2)cc1 781553446 RVUCCBWSTJXKKN-KHPPLWFESA-N 427.323 5.427 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc2cc(C)cc(Br)c2o1 782258436 ZMYANEPSAFAHKY-UHFFFAOYSA-N 434.293 5.253 30 20 IKED CCOc1cccc2[nH]cc(CC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c12 783077525 SRZUYFVUSXSXDP-KRWDZBQOSA-N 435.936 5.762 30 20 IKED N#CCc1ccc(CSC2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(F)cc2)cc1 783893194 OFIASFQFCFRVFK-XQNSMLJCSA-N 427.504 5.569 30 20 IKED C=C[C@@](C)(CCOC)COC(=O)c1ccccc1NC(=O)c1ccccc1Br 784632970 GBICUBZOWPYUKX-QFIPXVFZSA-N 446.341 5.087 30 20 IKED COc1ccccc1-c1ncc(/C=C/C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1 792869040 IRFMJQUTWGUWSB-ZHACJKMWSA-N 443.484 5.685 30 20 IKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CC(F)(F)F)cc1 799214198 BWFGJJZNYKEBFP-SFHVURJKSA-N 449.498 5.333 30 20 IKED CCc1nc2cc(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)ccc2n1C1CC1 801663546 XJWDTJFUSFJBKZ-DEOSSOPVSA-N 449.558 5.911 30 20 IKED CC(C)C(=O)c1ccc([C@H](C)C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 802059356 VOIYPGNTGBXOGQ-WMLDXEAASA-N 438.499 5.907 30 20 IKED CC(=O)c1oc2cc(C)ccc2c1CC(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 805855072 FFSFBQWJAGNRKE-HXUWFJFHSA-N 428.513 5.795 30 20 IKED Cc1cc(C(=O)N2CCC(c3noc4cc(F)ccc34)CC2)c(C)n1-c1ccc(C#N)cc1 811604294 OSPGEVHJHIUYKM-UHFFFAOYSA-N 442.494 5.266 30 20 IKED Cc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1 837519291 OXRPRESKGMOYND-JOCHJYFZSA-N 447.535 5.295 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc([C@H]2CCCN2C(=O)OC(C)(C)C)no1 904707043 XEAHWFYYSRFCNQ-OAHLLOKOSA-N 439.434 5.392 30 20 IKED N#Cc1ccsc1NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 908182202 YDDBWUKMBODJAT-UHFFFAOYSA-N 434.318 5.850 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1 915085215 ITYUAPLMHLSFTB-OAQYLSRUSA-N 446.432 5.799 30 20 IKED N#C[C@@H](C(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1nc2ccccc2s1 915098222 MHYFEEKULRIUFT-SFHVURJKSA-N 438.512 5.101 30 20 IKED N#C[C@H](C(=O)Cc1c[nH]c2ccccc12)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103544 XJBHXFITUKOQLZ-MRXNPFEDSA-N 426.328 6.017 30 20 IKED C=CCNC(=S)/C(=C(/O)c1ccc(-c2ccccc2)cc1)[n+]1ccc2c(c1)CCCC2 916202598 LEPFTOSQEOIVDH-UHFFFAOYSA-O 427.593 5.507 30 20 IKED N#C[C@@H](C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1ccc2ccccc2n1 916848983 QQBPCWFVFCFVRG-JOCHJYFZSA-N 440.886 5.374 30 20 IKED N#C[C@@H](C(=O)COc1cccc(Cl)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995307 DRLOBJHDNOWQKH-HNNXBMFYSA-N 437.735 6.026 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 917031083 OXGSDXYMQPAYGV-MYFPHNBGSA-N 449.551 5.052 30 20 IKED N#C[C@H](C(=O)CCCOc1cccc(Br)c1)c1nc2ccccc2n1C(F)F 917041485 TYZABQJWDWFXLE-OAHLLOKOSA-N 448.267 5.229 30 20 IKED COc1ccccc1-c1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)no1 917344635 SDQQRNJSMVGKGV-UHFFFAOYSA-N 439.471 5.248 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2cccc(Br)c2)n1)c1nc2ccccc2o1 917510159 TYISNLZEMCXIDW-OAHLLOKOSA-N 438.306 5.133 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1nc(-c2ccccc2)cs1 920113804 PORPIAXCXIEEKV-AWEZNQCLSA-N 441.990 6.067 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4sccc4Cl)CCC3)cc2)cc1 1790706778 VAWFSRYXKWSXFF-UHFFFAOYSA-N 449.963 5.529 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5c(Cl)cccc45)cc3)CCC2)CCC1 1790958449 QALGGKHEHFTTJJ-UHFFFAOYSA-N 446.938 5.263 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(Cl)cc3C)CC2)C1 1805451614 QTHULLMOTSCOGZ-UHFFFAOYSA-N 429.004 5.262 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](CC)c2ccccc2)[C@H]1c1cccnc1 1810495759 WEXMMYCOZCOOSD-SDHOMARFSA-N 447.623 5.274 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/C2CCCCC2)[C@H]1c1cccnc1 1810505043 LNLHVFSNSPLHSL-HPRXZKPJSA-N 437.628 5.216 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)C(C)(F)F)CC1 1824628365 PMCSBIYNKNKYDS-IBGZPJMESA-N 426.592 5.280 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(C)(C)C)oc2C)CC1 1825951654 VYUYPLACJOLLNB-AVRDEDQJSA-N 428.617 5.331 30 20 IKED Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1830005506 UDEDQXFJHKYDJR-HFZDXXHNSA-N 443.591 5.169 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3occ(Cl)c3c2)CC1 1831375167 OASKADOORMIYBD-VGOFRKELSA-N 442.987 5.532 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)Cc2ccco2)CC1 1832275132 HSAIPAZJDULVPZ-REWPJTCUSA-N 428.617 5.070 30 20 IKED C=CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccc(Br)cc1 9145683 XHZNTBKWRGUJJW-UHFFFAOYSA-N 432.318 5.008 30 20 IKED Cc1ccccc1N/C(S)=C(/C(=O)c1ccc(F)c(F)c1)[n+]1ccc(C(C)(C)C)cc1 11166739 MTRJAJIQOQQLAK-UHFFFAOYSA-O 439.551 5.909 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(COC(=O)CCc2ccc(C#N)cc2)cs1 12957815 CLXGOCVSDMRPPX-UHFFFAOYSA-N 439.924 5.029 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(C)c(C)c1)[n+]1ccc(C(C)(C)C)cc1 14871878 QPRGYZFQEXWFED-UHFFFAOYSA-O 445.652 6.502 30 20 IKED O=C(CCc1ncc(-c2ccccc2Cl)o1)NCC#Cc1cccc(C(F)(F)F)c1 24508204 NHEBVXMNHBSQBP-UHFFFAOYSA-N 432.829 5.114 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 29202549 MRBXHWXOLYXTLS-UHFFFAOYSA-N 437.503 5.099 30 20 IKED N#C[C@@H](C(=O)c1cc(Cl)c2c(c1)OCCCO2)c1nc(-c2c(F)cccc2F)cs1 64714750 NMWQOOJPSRZVEE-LBPRGKRZSA-N 446.862 5.393 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)cc1 104861807 HQNCVVPRDXONPT-UHFFFAOYSA-N 430.932 5.343 30 20 IKED CC1CCC(Oc2cc(CNCc3cn(CCC#N)nc3-c3ccccc3)ccn2)CC1 236713819 WJNVAXRVTYGDJX-UHFFFAOYSA-N 429.568 5.106 30 20 IKED Cc1csc(-c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)n1 303127932 NRMUPXZLYCSWNY-UHFFFAOYSA-N 441.581 6.535 30 20 IKED CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)c1ccc(Cl)s1 426533496 QVJUUVCYYWMFBW-KRWDZBQOSA-N 439.924 5.271 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NCc1cccc(F)c1C#N 428422852 OGXLALRWYVRLBL-GFCCVEGCSA-N 430.346 5.743 30 20 IKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)c12 430621401 JLHFBLBOUAWITD-CQSZACIVSA-N 434.521 5.850 30 20 IKED C=CCC[C@H](NC(=O)N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1)c1ccc(C(F)(F)F)cc1 430887336 DQENMKQFGADKPF-HBCLNWRISA-N 440.506 5.081 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1noc(Cc2ccccc2)n1 431401317 OGDDLMZHJLTJCX-KRWDZBQOSA-N 439.475 5.207 30 20 IKED N#CCCC[C@H](NCc1csc(-c2ccc(Br)cc2)n1)c1ccccc1 433013605 YJQJASOOHFIQDK-FQEVSTJZSA-N 426.383 6.097 30 20 IKED C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 435099021 PTEIJFVYVNKELU-FNZWTVRRSA-N 425.532 5.742 30 20 IKED CC1(C)CCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2O)[C@@H]1C#N 436911095 SITMSKIQVRMHAT-LJQANCHMSA-N 446.334 5.106 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1ccn(-c2ccc(F)cc2)n1 437421448 VQDQHPSKDMOFFC-INIZCTEOSA-N 440.569 5.135 30 20 IKED Cc1ncsc1CNC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 438551703 FXQTWKFBUVZUOR-UHFFFAOYSA-N 432.427 5.456 30 20 IKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)N[C@H](CCC#N)c1ccccc1 440248848 WCCZAYFRZWIXHC-HXUWFJFHSA-N 437.931 5.357 30 20 IKED CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)NCC1CCC(C#N)CC1 440982157 AKPSPGIJVLBLFJ-UHFFFAOYSA-N 426.536 5.165 30 20 IKED Fc1ccc(-c2noc(CN[C@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)n2)cc1 444744635 QFBTZLKWSZMXCW-OAHLLOKOSA-N 433.327 5.678 30 20 IKED C=C(C)Cn1c(SCc2nc(Cc3ccc(Cl)cc3C)no2)nnc1-c1ccco1 445604669 NKIBZPRVJXQWEC-UHFFFAOYSA-N 441.944 5.342 30 20 IKED Fc1ccc(C(F)(F)F)cc1CNC1(c2cccc(OC(F)(F)F)c2)CCOCC1 446854008 UDOLLJNXOMCYHK-UHFFFAOYSA-N 437.355 5.539 30 20 IKED C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC[C@H]1c1noc(C(C)C)n1 460793654 OQPUJTNHFQMVJI-KRWDZBQOSA-N 446.477 5.388 30 20 IKED COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])c(C#N)c2)c2c[nH]c3ccccc23)c1OC 463445198 UICMMLBOMLEZKN-OAQYLSRUSA-N 442.475 5.209 30 20 IKED Cc1ccc2c(CCC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c[nH]c2c1 465027217 NPJURLNZZQNVKH-UHFFFAOYSA-N 425.507 5.649 30 20 IKED COc1ccc(C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)cc1 467611927 WMOCRAZWNCDKBJ-UHFFFAOYSA-N 427.504 5.771 30 20 IKED Cc1ccc(NC(=O)c2ncc(C#N)cc2Cl)cc1Oc1ncccc1Br 468608245 LWFRXGRHEXLZLM-UHFFFAOYSA-N 443.688 5.117 30 20 IKED Cc1nc(NC(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)sc1SCC#N 468842454 DMNYLOZKBSZBLT-UHFFFAOYSA-N 433.917 5.904 30 20 IKED CC(C)(C)c1ccc2c(c1)CN(C(=O)Nc1ccc3c(c1)CCC(=O)N3CCCC#N)CC2 470539974 PGNGGVLHUCNOQX-UHFFFAOYSA-N 444.579 5.157 30 20 IKED CCN(CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@H](C)c1cccc(OC)c1 472423242 BWIFVUKRWBRVPC-HXUWFJFHSA-N 448.567 5.038 30 20 IKED COc1ccc(CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C(C)(C)C)c(OC)c1 472484621 JRPUPRUKVHVETA-UHFFFAOYSA-N 445.519 5.204 30 20 IKED CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)N1CCC(F)(C#N)CC1 477749398 VZCFXPLCJMWPDM-UHFFFAOYSA-N 429.517 5.068 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)NCCCc1nc(-c2ccncc2)cs1 480597308 VDUIISDJGLNDRB-UHFFFAOYSA-N 440.528 5.232 30 20 IKED Cc1ccc(C#N)cc1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1 481264975 UMCFBNZXKVTLAV-UHFFFAOYSA-N 449.923 5.092 30 20 IKED C=CCn1c(S[C@H](C)c2nc(Cc3ccc(F)cc3)no2)nnc1-c1ccccc1C 481375933 RFHZOUVBOGXANE-MRXNPFEDSA-N 435.528 5.406 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[C@@H](C#N)c3cnc4ccccc4n3)cc12 483207938 WDFKFUMHBUBRHP-SFHVURJKSA-N 441.491 5.027 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1cnc2ccccc2n1 483241138 IOSJIJVIFAJSPP-IBGZPJMESA-N 434.886 5.988 30 20 IKED COCCOc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 484552956 APVJJLSQAYMTHM-GOSISDBHSA-N 426.925 5.287 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 484911530 WJXPKNMVJYGDJW-QFIPXVFZSA-N 443.016 6.056 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1-c1ccccc1C 488904214 ZZWBBICTVPOCFE-INIZCTEOSA-N 426.973 5.521 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccc(C)cc1Cl 489662740 UKEZTCYDPIBKBU-MRXNPFEDSA-N 442.972 5.124 30 20 IKED N#Cc1ccc(N2CCC[C@@H](NC(=O)Nc3ccc4nc(C(F)F)sc4c3)C2)c(F)c1 493145035 FPAMNUMIHGBRTJ-CQSZACIVSA-N 445.470 5.035 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)cc(C3CC3)nc21 501137927 DNFQMLYGCVVIAQ-UHFFFAOYSA-N 428.521 5.137 30 20 IKED CN(C)C(=O)c1cccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 502200494 BDBZHAPZCXLODY-QFIPXVFZSA-N 446.938 5.019 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2cc3ccccc3nc2O)cc1Cl 502212102 KBBSOZJCHZYSKO-JOCHJYFZSA-N 441.918 5.821 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)cc1 502230809 IKDWTEWIIGNKRO-UHFFFAOYSA-N 443.507 5.199 30 20 IKED C[C@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccc(NC(=O)Nc2ccccc2)cc1 506509950 KHWMZRYTNGLGDH-KRWDZBQOSA-N 442.494 5.250 30 20 IKED C=CCn1c([C@@H](C)CC)nnc1N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 508497319 KTSQBRRGYLSRLS-AWEZNQCLSA-N 436.387 5.140 30 20 IKED C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C(F)(F)F)C(C)(C)C1 508885398 PFZYNOKJSQQRSU-WMLDXEAASA-N 426.458 5.158 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1ccc(SCCOC)cc1 509544871 RWFJSZJFNZDTLM-HNNXBMFYSA-N 425.019 5.599 30 20 IKED CCN([C@@H](c1ccc(Cl)cc1)c1ccccn1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 510233008 DOPDJGKOVRJFHG-NRFANRHFSA-N 446.359 5.060 30 20 IKED C[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510238739 HGPXGTSVNPYLFA-ZDUSSCGKSA-N 443.985 5.580 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 510273162 ZJKAROLNOGTCIJ-UHFFFAOYSA-N 445.569 5.990 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1 511372229 HNJAXNQEKGLCNO-HSZRJFAPSA-N 447.535 5.829 30 20 IKED CCN(C)C(=O)c1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 511936529 ADLKLTFUDPPTHI-UHFFFAOYSA-N 447.922 5.135 30 20 IKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cc12 513139066 YQJNUYINTWFIKQ-INIZCTEOSA-N 444.413 5.438 30 20 IKED N#C[C@H](C(=O)c1cc2ccccc2n1Cc1ccccc1F)c1ccc(C(F)(F)F)cn1 513172861 WFYPJIXMCYQEKR-SFHVURJKSA-N 437.396 5.733 30 20 IKED CCC[C@@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1 513983844 VHNBVRVGYQTEDA-HSZRJFAPSA-N 447.583 5.017 30 20 IKED CCCOc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 514698013 YPFSNOMWMUYZAK-UHFFFAOYSA-N 429.476 5.136 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3sc4c(c3C#N)CCCCCC4)cc(C3CC3)nc21 515448202 UYDDSMBYYYMIBS-UHFFFAOYSA-N 433.581 5.734 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)Cn3c(C(F)(F)F)nc4ccccc43)cc2)c1 517511831 TUVDOMHNLVVJOP-UHFFFAOYSA-N 436.393 5.358 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnc(-c2ccccc2F)s1 517868728 AZNUVPGXCLEFLT-UHFFFAOYSA-N 430.464 5.569 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCOc3ccccc32)cc1Cl 518721984 CUCOBOLPWBPOND-XMSQKQJNSA-N 431.923 5.683 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 519573646 UDMVAQJYPGKCCT-CVEARBPZSA-N 448.466 5.225 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1sc(-c2cnn(C)c2)nc1C 522304379 HWMNOZRQPKIHLZ-UHFFFAOYSA-N 445.523 5.018 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C 523027482 UPVZVFBDTMFZHK-WMZHIEFXSA-N 443.522 5.995 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c1 523275142 KQEPUIFQMXDOPQ-UHFFFAOYSA-N 443.503 5.045 30 20 IKED COCCn1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c2ccccc21 524497985 KBWPYIXDCVJAFH-UHFFFAOYSA-N 443.478 5.130 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1NC(=O)Nc1ccccc1 524943192 XZOBEBKCDLCAEC-QGZVFWFLSA-N 444.560 6.143 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1NC(=O)Nc1ccccc1 525000173 HUUQUDRWMBLLMR-SFHVURJKSA-N 426.501 5.739 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)cc1 525418519 GDIGXLOGWKLAMW-XXBNENTESA-N 449.913 5.802 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](CN4CCCCC4)C3)cc2Cl)cc1 527331922 CNXZJVLFYRRUME-IBGZPJMESA-N 438.959 5.344 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccc(CN3CCCC3=O)cc2)cc1Cl 534169017 QJIQIXRFMASQLI-UHFFFAOYSA-N 445.906 5.379 30 20 IKED C=C[C@@H](CC(=O)Nc1cc2c(cc1NC(=O)c1cccs1)OCCO2)c1ccccc1 534657806 LXZWAOPUFVVUFW-INIZCTEOSA-N 434.517 5.070 30 20 IKED Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 537102550 HMFHAWAOLMJLMJ-FQEVSTJZSA-N 435.915 5.713 30 20 IKED C[C@H](CCO)C1(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCC1 538343887 PXCDFQVUFBSJJS-DYESRHJHSA-N 425.960 5.306 30 20 IKED CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)Nc1ccc(C(C)(C)C#N)cc1 539183953 QZSMSVVPDLKMEW-AUUYWEPGSA-N 430.346 5.148 30 20 IKED CN(C(=O)c1cc(Br)cc(Br)c1)c1cc(Cl)ccc1C#N 540274476 RWHYEOPHLMFPIE-UHFFFAOYSA-N 428.511 5.013 30 20 IKED C[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(-c2cccc(C#N)c2)cc1 541086874 RKMXTZBDSKVJRX-INIZCTEOSA-N 425.448 5.034 30 20 IKED COc1ccc(NC(=O)C[C@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(OC)c1 542106467 NFYOLQSJAQDHKU-RBUKOAKNSA-N 443.547 5.310 30 20 IKED CN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 542589755 GOJWZHVORHPPSC-ZEQKJWHPSA-N 444.506 5.676 30 20 IKED CCC(C)(C)OCc1cccc(NC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)c1C 556153570 VBLZXNMFBNMULC-UHFFFAOYSA-N 441.597 5.508 30 20 IKED C=CCC[C@H](N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(C(F)(F)F)cc1 560908611 LHRZSOBIGMFHLB-IERDGZPVSA-N 440.531 5.314 30 20 IKED CCOc1ccc(-c2nnc(SCc3ccc(C#N)cn3)n2-c2ccccc2F)cc1 562386312 GVHQSFJYFLRWIG-UHFFFAOYSA-N 431.496 5.031 30 20 IKED CC(C)c1c(NC(=O)c2cc(-c3cccc(C#N)c3)no2)cnn1-c1ccc(Cl)cc1 562601027 QKMHICUILXZCHX-UHFFFAOYSA-N 431.883 5.428 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC(c4cccc(F)c4F)CC3)s2)cc1 564751847 RUXDIYALPDMOKD-UHFFFAOYSA-N 438.503 5.295 30 20 IKED COc1ccccc1[C@H]1C[C@@H](C)CCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 568334120 PJJAXJINSGRKHE-MHECFPHRSA-N 442.519 5.759 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc(Cl)c1Br 569231302 QJJUQEKAOQTJDW-ZDUSSCGKSA-N 432.730 5.420 30 20 IKED O=C(CCOCC(F)F)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 569871216 VFCAVLXEKBVWMZ-GFCCVEGCSA-N 447.244 5.116 30 20 IKED CCO[C@H](c1noc([C@H]2CCC[C@H](C(F)(F)F)C2)n1)c1ccc(F)cc1C(F)(F)F 572562219 ARJCHTUEVJBCKO-PGUXBMHVSA-N 440.359 6.190 30 20 IKED Cc1csc(NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1C#N 573524013 PODAMSWRTZNKCX-UHFFFAOYSA-N 440.322 5.195 30 20 IKED N#CC[C@@H](Cc1nc(-c2cccc(NC(=O)c3ccccc3F)c2)no1)c1ccccc1 576025456 GVTWJROVIGCBJH-SFHVURJKSA-N 426.451 5.368 30 20 IKED Cc1ccccc1OCCCC(=O)Nc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 578702163 OWTZPISKCYAFAD-SANMLTNESA-N 439.559 5.442 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)Cc2nc(-c3cccs3)no2)cc1 583516430 WYOWKMPEDHEAQY-UHFFFAOYSA-N 430.489 5.043 30 20 IKED COc1ccc2[nH]cc(C3=CCN(C(=O)Nc4cccc(C#Cc5ccccn5)c4)CC3)c2c1 601183349 BKWIEXVCTFUCPS-UHFFFAOYSA-N 448.526 5.293 30 20 IKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604159223 GDYYPIKSYHSZAF-OAQYLSRUSA-N 449.963 5.210 30 20 IKED CCOC(=O)C1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 604461535 RFPMNSWOEHVHKP-UHFFFAOYSA-N 441.915 5.247 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H](C)[C@@H]2c2ccc(C)cc2)cc1 606558665 MBKZQKGTNSLDMB-PXDATVDWSA-N 431.580 5.814 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Oc4ccc(F)cc4)nc3)o2)cc1 609057565 RUKSWJMOQZLNLU-UHFFFAOYSA-N 429.407 5.309 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)n2)c1 609066673 HPWZQAOZXHHDFF-UHFFFAOYSA-N 430.414 5.265 30 20 IKED COc1cccc([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 609078515 WDAKULDVBOMTCY-AREMUKBSSA-N 441.531 5.823 30 20 IKED CN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc(C#N)cc1F 609216172 IPZRCRGVRLLOBP-UHFFFAOYSA-N 425.803 5.328 30 20 IKED Cc1ccc(Cn2nc(C)c(CCC(=O)Nc3ccccc3SCCC#N)c2C)cc1 609376033 ZAAVTQLJCQSNLS-UHFFFAOYSA-N 432.593 5.434 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 609508680 HVKGOSAEGSXLNY-TZWRJOPASA-N 428.454 5.187 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NCc3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)nc1 609550447 YHJVILZMRADPGL-UHFFFAOYSA-N 445.482 5.219 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@@H](OCC(F)(F)F)C2)c1 609723604 LLCMAIYMMUNYME-GOSISDBHSA-N 438.833 5.187 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 610599124 BFRHRCNDHWVLFH-OALUTQOASA-N 441.478 5.741 30 20 IKED Cc1cn(-c2ccc(F)cc2)nc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 670115875 BEUVORYXKSZSIC-OAHLLOKOSA-N 444.413 5.438 30 20 IKED O=C(N[C@H]1CCC(F)(F)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 675688760 HIZMEHXHRZUVSV-NHKIZWFTSA-N 433.383 5.413 30 20 IKED Cc1cc(C(F)(F)F)ncc1NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 685668031 JGSTVTMBNMAYJV-IUCAKERBSA-N 437.306 5.440 30 20 IKED C=CCn1c(COc2ccccc2F)nn(CN2CC[C@H](c3ccccc3C)C2)c1=S 725780064 TVISFVUQARRSPM-IBGZPJMESA-N 438.572 5.074 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2ccc(Br)cn2)cs1 727266298 OILRYNFRCKTIGB-UHFFFAOYSA-N 444.358 5.048 30 20 IKED C=CCc1cc(C(=O)Oc2ccc(NC(=O)c3sccc3C)cc2)cc(OC)c1OC 729217289 PPCCYXYELJCLDL-UHFFFAOYSA-N 437.517 5.274 30 20 IKED COc1cccc([C@@H](C#N)NC(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)c1OC 729429811 OBXYAAALPCASFK-XSSIKURBSA-N 438.936 5.480 30 20 IKED COc1ccccc1C/C(C)=C\C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 730183698 WAMHWIHXVUGEOX-RGEXLXHISA-N 426.516 5.582 30 20 IKED N#C[C@H](C(=O)CCN1c2ccccc2Sc2ccccc21)c1nc2cc(F)ccc2s1 730422305 VYAMGUFMWIPQIB-MRXNPFEDSA-N 445.544 6.305 30 20 IKED N#C[C@H](C(=O)CCCCOc1ccc(Br)cc1)c1nc2ccccc2s1 731288000 MKFKEBARMLYCQO-MRXNPFEDSA-N 429.339 5.484 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1 731332276 HTFJDUKISXVJQM-SFHVURJKSA-N 437.565 5.068 30 20 IKED CC[C@@H](C#N)Oc1cc(CNCc2ccc3c(c2)c2ccccc2n3CC)ccc1OC 733330423 YXBJFUFNYZIOAA-NRFANRHFSA-N 427.548 5.794 30 20 IKED C=CC[C@@H](NC(=O)CCCCCc1ccc(I)cc1)c1ccncc1 734458354 XSIKJSFRLQTCFV-HXUWFJFHSA-N 448.348 5.223 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C)c(Oc3ccncc3)c2)cc1 734706582 NASXGAGATASHOP-UZUQRXQVSA-N 427.504 5.657 30 20 IKED CC(C)c1nc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nn1-c1cccc(F)c1 735429362 SZYAFIQVRKSEGK-HSZRJFAPSA-N 439.494 5.438 30 20 IKED CC1(C)C/C(=C/c2nccn2CC(F)(F)F)C(=O)/C(=C\c2nccn2CC(F)(F)F)C1 736434456 SRWFUBRTZRRGDA-PVRNWPCDSA-N 446.395 5.060 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2cccc(Oc3nccs3)c2)c1 736916815 AAUNXHBCCWFSGJ-GOSISDBHSA-N 449.532 5.044 30 20 IKED COC(=O)[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(C#N)cc1 741736503 UBWLGYSYOPCONR-QHCPKHFHSA-N 426.497 5.887 30 20 IKED CSc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1F 741846765 IGFMQJBSPYFKKR-RMKNXTFCSA-N 430.501 5.724 30 20 IKED COc1ccc(/C=C(\Cl)c2nc3cc(-c4ccc(F)cc4)sc3c(=O)[nH]2)cc1C#N 741849694 ZOEDYSJVNDMQRM-SXGWCWSVSA-N 437.883 5.408 30 20 IKED Cc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1NC(=O)OC(C)(C)C 744360854 IWWBBJHRJCISCO-UHFFFAOYSA-N 433.533 6.195 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(CC)Cc2cccc(-c3ccncc3)c2)c1 745820925 MTOFEVBKLNBOJF-XMMPIXPASA-N 428.536 5.161 30 20 IKED C[C@@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1nc(-c2ccc(Cl)cc2)no1 746074973 AOPMZOYSQGZROL-CQSZACIVSA-N 446.850 5.367 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)CCc1c[nH]c2ccc(C)cc12 746403534 BEEXMOPYWHLZJJ-UHFFFAOYSA-N 427.298 5.047 30 20 IKED Cc1cc(CON=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)on1 749116336 NJERBUDXGODNCC-UHFFFAOYSA-N 428.488 5.692 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 749360940 AWMPDOATKYRJPU-UHFFFAOYSA-N 446.485 5.790 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)CCCCc1ccc(Br)cc1 749361268 WYGWJDDAGFSFGM-UHFFFAOYSA-N 436.353 5.297 30 20 IKED N#C[C@H](C(=O)Cc1ccc(OCc2ccccn2)cc1)c1nc2cc(Cl)ccc2s1 752482109 PVCWNQQWPOVGGJ-LJQANCHMSA-N 433.920 5.343 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCn3c(cc4cc(Cl)ccc43)C2)cc1 755221447 YQTWALIQMUGISZ-XMMPIXPASA-N 440.934 5.998 30 20 IKED N#CCCn1ncc(C(=O)OCc2ncc(-c3ccc(Cl)cc3)o2)c1-c1ccccc1 759081570 DOBQJZZZNMLQDQ-UHFFFAOYSA-N 432.867 5.129 30 20 IKED C[C@@H](C[C@H](O)c1ccco1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 759491222 KYJXPBGLGRAXDU-LIRRHRJNSA-N 425.872 5.231 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1sc(-c2ccccc2)nc1C(F)F 762026216 SDLQQEGPUYZJTM-LBPRGKRZSA-N 431.851 5.362 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCCCC[C@H]3C[C@H](O)c3ccco3)c2)cc1 762984998 CCXPUSDSKSHFHB-URXFXBBRSA-N 430.504 5.452 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1-c1cccc(Cl)c1 765335568 YRMDXGIUPQMDED-HNNXBMFYSA-N 437.956 5.996 30 20 IKED C#CC[C@@H](NC(=O)N1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1)c1ccccc1 772382847 BIGZJEXNSSTVCM-IFMALSPDSA-N 445.588 5.472 30 20 IKED COc1ccc(CN(C(=O)NCc2cc(C#N)ccc2F)[C@H]2CCCC[C@H]2C)cc1OC 772493379 NNRCLSVZYRHRGJ-VGSWGCGISA-N 439.531 5.005 30 20 IKED COc1ccccc1-c1nc(CON=C(C)c2nc3ccccc3n2C(F)F)cs1 774805726 SZJIVLWLOHQHIR-UHFFFAOYSA-N 428.464 5.504 30 20 IKED CC(C)(C)OCc1cc(COC(=O)c2ccccc2SCc2ccc(C#N)cc2)no1 775173424 RZMNAPVWGMEMCV-UHFFFAOYSA-N 436.533 5.511 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccccc2O[C@H](C)C#N)cc1 780153750 XRBYRAANWZYPOH-GOSISDBHSA-N 439.515 5.706 30 20 IKED Cc1ccc2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)c2c1 780305425 IYCUEXOSCSPEEI-HXUWFJFHSA-N 439.902 5.825 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)[C@H](O)c1ccc(C#N)cc1 780949488 FIGPRAQGFAVYMH-XMMPIXPASA-N 442.494 5.276 30 20 IKED C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)Nc1cccc(C#Cc2cccs2)c1 788558691 AMZIJAROLLCPIJ-SFHVURJKSA-N 445.544 5.329 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)OCC(=O)N3c4ccccc4Sc4ccccc43)CC2)c1 803922709 NDADYSWPHMWSMR-UHFFFAOYSA-N 444.487 5.102 30 20 IKED N#Cc1sc(NCc2ccc(NC(=O)CCCOc3ccccc3)cc2)nc1Cl 804351582 DHPGEZRUGOCHEP-UHFFFAOYSA-N 426.929 5.078 30 20 IKED CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[C@@H](C#N)c1cnc2ccccc2n1 805929457 FWKNVMBGQDXHQZ-PGRDOPGGSA-N 444.535 5.098 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 806264832 HYMRBUCDHQNKTP-GBXCKJPGSA-N 445.588 5.849 30 20 IKED C[C@@H](NCc1nc2ccccn2c1Br)c1ccc(-c2cccc(C#N)c2)cc1 809637817 PHFXSIMHAFIKOL-MRXNPFEDSA-N 431.337 5.486 30 20 IKED N#C[C@H](C(=O)Cc1cccc(OCc2cccnc2)c1)c1nc2cc(Cl)ccc2s1 810537508 VPLOOQFWLBIRIL-LJQANCHMSA-N 433.920 5.343 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCN(c4ccccc4Cl)C3)n2)cc1 810549172 INYKFMAZKNHTRT-AEFFLSMTSA-N 437.952 5.175 30 20 IKED N#CCCn1cc(/C=C\C(=O)c2csc(-c3ccccc3F)n2)c(-c2ccncc2)n1 812245487 UYFOJRWWZCAXBK-SREVYHEPSA-N 429.480 5.017 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCN(c3ccccc3F)C2)cc1 812919278 KCOYZUVWKVCTLX-CVDCTZTESA-N 428.511 5.129 30 20 IKED C=C(C)CN1C(=O)/C(=C\c2csc(-c3cccc(Br)c3)n2)SC1=S 814292060 LBUBAHZXQHXUFZ-VGOFMYFVSA-N 437.409 5.350 30 20 IKED CCOC(=O)c1ccc(NC(=S)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 916026321 XJHRDHFHDIWCRS-UHFFFAOYSA-N 445.544 5.317 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccco2)cc1 916211260 BAMPSZRMCNKFNK-QFIPXVFZSA-N 447.560 5.365 30 20 IKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1csc(-c2ccccc2)n1 916278398 JWSMRGWGRPINPN-UHFFFAOYSA-N 427.558 5.317 30 20 IKED FC(F)SCc1ccc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)o1 916333168 FONGXNSFKJMORX-UHFFFAOYSA-N 435.308 5.472 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1oc2ccccc2c1CSC 916901481 IYIIYAHYXWCARQ-AWEZNQCLSA-N 442.924 5.227 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 916910972 LBRXNISHLBERSH-IBGZPJMESA-N 440.890 5.154 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(NC(=O)c3ccco3)cc2C)cc1 916956257 ZBISWNYWFLIEMK-KDOFPFPSSA-N 449.532 5.377 30 20 IKED Fc1ccc(-c2nnc(S)n2N=Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 918711481 YQXAXMLVVXKKCI-UHFFFAOYSA-N 449.458 5.397 30 20 IKED Cc1ccc(Oc2ccc(OCC(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cc2)cc1 920264982 GXXUMFBZZBFXCF-JOCHJYFZSA-N 441.512 5.561 30 20 IKED Cc1ccncc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1788821802 ZBHAFSNNWGQWCF-IBGZPJMESA-N 438.531 5.079 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3nc4ccccn4c3C)CCC2)cc1 1789453614 CHABFWQXFMVMJS-QFIPXVFZSA-N 442.563 5.159 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cncc4cnccc34)CCC2)cc1 1789626463 PTVIRIBIDPGRQK-UHFFFAOYSA-N 442.563 5.370 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)Cn3ccc4c(F)cccc43)CCC2)cc1 1791244387 QVPFVUZJFPYDJR-SFHVURJKSA-N 433.527 5.127 30 20 IKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccccc4C(F)(F)F)CCC3)cc2)CCC1 1792231584 ZAKNKWUHFQJIQQ-UHFFFAOYSA-N 441.453 5.147 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cccc4ccncc34)CC2)C1 1804866725 LRWSVZPJVKDIPG-UHFFFAOYSA-N 433.596 5.072 30 20 IKED C=CCSCC(=O)N1CC[C@@H](CNC(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1 1812805686 SJZMTWULDVCFSE-XUZZJYLKSA-N 445.673 5.003 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3cnccc3c2)[nH]n1 1819554841 QTUXFYAKYSMEQS-QFIPXVFZSA-N 445.567 5.256 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3sc(C)nc3c2)CC1 1831369998 JGSJPJFIHTZWHX-VGSWGCGISA-N 439.625 5.050 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccccc2)cc1 10170772 JYMRESRURUALDD-UHFFFAOYSA-O 443.636 6.417 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2cccc3ccccc23)cc1 11127873 AFZDMSSOZXAILV-UHFFFAOYSA-O 441.576 5.749 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2C)nc2cc(Cl)ccc2c1=O 16827247 AWFZKTBHMBXJPV-CYBMUJFWSA-N 448.375 5.317 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2ccc(N3CCCCC3)cc2)n1 21514476 VATIRRLRBXWXBU-UHFFFAOYSA-N 434.487 5.002 30 20 IKED CCCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)nnc1-c1cccc(C)c1 21691922 PTDWEXIFMPZJPG-LJQANCHMSA-N 433.581 5.091 30 20 IKED COc1ccc(-c2csc(/N=C(\O)CN(C)Cc3ccc(Cl)s3)n2)c(OC)c1 22241249 YSYKBSLLVGGGSM-UHFFFAOYSA-N 437.974 5.262 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1ccc(F)cc1 24014914 PVYUOJYOFONEJH-GOSISDBHSA-N 449.555 5.006 30 20 IKED COc1cc(CNC(=O)c2ccccc2Sc2ccccc2C#N)ccc1OC(F)F 26188007 UMZCHLPUGLVHKE-UHFFFAOYSA-N 440.471 5.249 30 20 IKED C[C@@H](Sc1nc(-c2ccco2)nc2ccccc12)C(=O)Nc1sc2c(c1C#N)CCC2 28662812 RNZGNBDSTDTARS-CYBMUJFWSA-N 446.557 5.431 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1NC(=O)CNc1cccc(C#Cc2cccs2)c1 29941034 XHJMQWYOGUBOFS-UHFFFAOYSA-N 426.545 5.001 30 20 IKED CCOC(=O)c1sc(NC(=O)c2cnc(-c3ccc(C)cc3C)s2)c(C#N)c1C 61112287 XTDUFGJMWLPTPF-UHFFFAOYSA-N 425.535 5.098 30 20 IKED COc1ccc(C#N)cc1NC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1 64455652 DMZNJROAAQEKJW-NRFANRHFSA-N 437.293 5.088 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCc1c[nH]c2cc(F)ccc12 65374109 NNRBYTKPAJRVAI-UHFFFAOYSA-N 428.467 5.644 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 71835945 YYCSPDBREQIVMH-UHFFFAOYSA-N 445.563 5.197 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc(-c2cccs2)no1 98070849 BRILTKGDIUVGFV-UHFFFAOYSA-N 445.957 5.100 30 20 IKED C[C@@H]1SCCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)[C@@H]1c1ccccc1 303729109 UPLPHJHRDZXLEC-STSQHVNTSA-N 425.623 5.055 30 20 IKED COc1cc(CNC(C)(C)c2cc(C(F)(F)F)on2)ccc1OCc1cccc(C#N)c1 429266561 YALSHUHMTCSMPB-UHFFFAOYSA-N 445.441 5.178 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cc(Br)sc2Br)s1 430596547 XBYMDNPGMLFNAC-QMMMGPOBSA-N 448.205 5.517 30 20 IKED CCC1(CNC(=O)N[C@H](CCCC#N)c2ccccc2)CCN(Cc2ccccc2)CC1 431451532 JRAGSBDWUKKYIN-RUZDIDTESA-N 432.612 5.413 30 20 IKED Fc1cc(NCc2ncccc2C(F)(F)F)ccc1Oc1ccc(C(F)(F)F)cn1 432342210 HHHOTSXRYRJKSM-UHFFFAOYSA-N 431.311 6.058 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)Nc1nc2ccccc2n1C1CCCCC1 432714920 DMOLYGZVMXEMGY-UHFFFAOYSA-N 429.524 5.161 30 20 IKED Cc1c(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cccc1-c1ncco1 432787296 GAEIPKRNCSLZRK-UHFFFAOYSA-N 442.450 5.884 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ccc(C(F)(F)F)cc1Br)c1ccccc1 433288057 YBMMVZKDSZHDKK-INIZCTEOSA-N 440.263 6.025 30 20 IKED CC(C)CN(C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)C1CCCC1 437312387 XTGJPGZOZZJRAX-UHFFFAOYSA-N 441.519 5.077 30 20 IKED Cc1csc(Sc2ccc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c(C)c2)n1 438094461 FCPNSIZNIDWONX-UNMCSNQZSA-N 448.617 6.215 30 20 IKED CCOc1cc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)ccc1OC 438666935 AQEHEJSOQINAIH-UHFFFAOYSA-N 435.455 5.219 30 20 IKED CCCc1c(NC(=O)N(Cc2ccc(F)cc2F)C2CC2)cnn1-c1cccc(C#N)c1 439667891 ZVDPYIAVYNOMDM-UHFFFAOYSA-N 435.478 5.171 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cccc(N2CCCNC2=O)c1)c1ccc(C(F)(F)F)cc1 442215355 DDDDISQPYPCXQD-HXUWFJFHSA-N 446.473 5.454 30 20 IKED C=CCC[C@@H](NC(=O)N(C)Cc1nccn1CC(F)(F)F)c1ccc(C(F)(F)F)cc1 442294693 PXRCOWXKNPLSGG-MRXNPFEDSA-N 448.411 5.313 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)c2ccccc21 444145717 XWVCTZHJZQHIJJ-UHFFFAOYSA-N 430.895 6.038 30 20 IKED Cc1cnccc1OC1CCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 446189402 RRYJFWAMGRWPDO-UHFFFAOYSA-N 428.492 5.129 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ncc(-c2ccccc2)cn1 461972038 OCVYAQJWPRITCY-UHFFFAOYSA-N 435.487 5.438 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 462256198 LHMPQBOIZDPEET-OFVILXPXSA-N 427.504 5.701 30 20 IKED COc1ccc([C@H]2Nc3ccc(Cl)cc3C(=O)N2c2ccncc2)cc1OCCCC#N 463011104 NAMYXWCUQQNODU-QHCPKHFHSA-N 448.910 5.197 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(-c3ccccc3)ns2)cc1C 465463054 OFIFHQPIHLYCMI-UHFFFAOYSA-N 427.533 5.456 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)Nc3ncccc3OCCCC#N)s2)cc1 466605183 YERNQIXWIFPOED-QGZVFWFLSA-N 435.553 5.387 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)nnc1-c1ccccc1F 466610093 ONQROONQMQEQMO-CYBMUJFWSA-N 441.919 5.827 30 20 IKED Cc1nc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)sc1Cc1ccc(Cl)cc1F 471155937 INOQLFVUAWGRJU-KRWDZBQOSA-N 438.915 5.027 30 20 IKED Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 474137329 PHYQQKXHLDRARJ-HXUWFJFHSA-N 435.549 5.171 30 20 IKED Cc1c(C#N)c(NC(=O)CN2CCCC[C@@H]2c2nc3ccccc3o2)n(C2CCCC2)c1C 474216797 YHCGFXPXPXNHAD-JOCHJYFZSA-N 445.567 5.399 30 20 IKED COc1ccc(F)c2[nH]c(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc12 475019495 UQOYCFACPUGHCJ-UHFFFAOYSA-N 429.451 5.213 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1CCN(c2cc(OC)cc(OC)c2)C1 475579037 SALGLBKALFKCMV-LJQANCHMSA-N 437.584 5.204 30 20 IKED CN1CCC[C@H](CNC(=O)C[C@@H](CC#N)c2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1 476076157 CQKYDINWQGDZOL-LGVFNWMJSA-N 443.513 5.292 30 20 IKED Cc1ccc(C#N)cc1NC(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 476767313 OUQDHUQVXGSZSJ-QGZVFWFLSA-N 430.483 5.070 30 20 IKED CCN1CC[C@@H](N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)[C@@H](C)C1 476807736 OZSOJNGFANJFBC-HRAATJIYSA-N 426.948 5.198 30 20 IKED COc1cccc(NC2CCN(C(=O)c3ccccc3Oc3ccccc3C#N)CC2)c1 477362018 AOBJDEFNDSHVSK-UHFFFAOYSA-N 427.504 5.076 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 477542723 NSSLYLBFFLCKIG-LSDHHAIUSA-N 432.952 5.274 30 20 IKED COc1cc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c(C)cc1C 478570375 SEVALKIPUPWJRP-UHFFFAOYSA-N 445.544 5.167 30 20 IKED C=C(C)[C@H](NCc1nc(-c2cc(Br)cs2)no1)c1ccc(F)c(F)c1 481569657 FSSWLQILDVXREN-INIZCTEOSA-N 426.286 5.246 30 20 IKED C[C@@H](NC(=O)Nc1ccn(CCC#N)n1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 483793768 PFOJJFWYLIFNFN-CYBMUJFWSA-N 433.459 5.427 30 20 IKED Cc1ccc(-n2ncc(NC(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)c2C(C)C)cc1 484346551 DBYVUTLCFYLWHP-UHFFFAOYSA-N 443.486 5.145 30 20 IKED Cc1ccc(-n2cnc3c2CCN(C(=O)Nc2ccc(Oc4ccccc4C#N)cc2)C3)cc1 486121684 YQUQVLABPKUUAN-UHFFFAOYSA-N 449.514 5.435 30 20 IKED CCCOc1c(Br)cc(C(=O)N[C@H](CCCC#N)c2ccccc2)cc1OC 487312304 HHYWRESCUUBLKU-LJQANCHMSA-N 445.357 5.411 30 20 IKED Cc1cc(Br)ccc1CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 487741096 HHNDFVRFDJXQQN-UHFFFAOYSA-N 449.348 5.584 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(OC(F)F)cc3)o2)cc1 489791598 UQUDDBJYXMSGEF-CYBMUJFWSA-N 447.463 5.022 30 20 IKED CCOC(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nc1 496094506 UQEUFWDYAULXLM-AWEZNQCLSA-N 446.315 5.179 30 20 IKED C[C@H]1CN(c2ccccc2NC(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@H](C)O1 498715466 ARDOFRALXOIHHQ-PMACEKPBSA-N 441.531 5.003 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](c1ccccc1)c1ccncc1 503031821 DXZJSBUOBBEPOU-SANMLTNESA-N 434.499 5.965 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3cccc(C(=O)N4CCc5ccccc54)c3)CC2)cc1 503450226 GWGOUJIGAPWVDJ-UHFFFAOYSA-N 448.526 5.082 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)nc(O)n4C3CCCC3)n2)cc1 503500489 BFPKZKSYTPEQJN-LJQANCHMSA-N 442.544 5.779 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)CCc3nc4ccccc4n3-c3ccccc3)CC2)cc1 503961313 LQCILKUGLSJRCS-UHFFFAOYSA-N 432.527 5.146 30 20 IKED COc1cc([C@H](C#N)NC(=O)c2cc(-c3ccccc3)ccc2Cl)cc(OC)c1OC 505473067 FUGBFHHFXRQHOW-FQEVSTJZSA-N 436.895 5.027 30 20 IKED C[C@H]1CCCCN1C[C@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 505918784 KHPIUDUZNZSLMU-VQTJNVASSA-N 435.543 5.216 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)CCCOc2ccc(F)cc2)cc1 508244256 WPTWGEUIWIWJAS-UHFFFAOYSA-N 449.482 5.431 30 20 IKED C=CCn1c(SC[C@@H]2CCN(C(=O)c3ccccc3)C2)nnc1-c1cccc(Cl)c1 509075720 SBTWSELWOBXDQO-QGZVFWFLSA-N 438.984 5.039 30 20 IKED Cc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 509480281 QCEHOQYUSRHPMY-UHFFFAOYSA-N 448.445 5.597 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(NC(=O)NC2CC2)c1 510274757 ZVVIRJRNYWLDCY-UHFFFAOYSA-N 426.476 5.195 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C 510712806 BYUHAVWXXQANIO-DEOSSOPVSA-N 432.499 5.223 30 20 IKED C[C@@H](CCC(=O)Nc1ccc(Cl)c(C#N)c1)CC(=O)Nc1ccc(Cl)c(C#N)c1 514430821 DTGFTFMDUCPXEP-ZDUSSCGKSA-N 429.307 5.120 30 20 IKED Cc1ccc(C)c(Sc2ccc(NC(=O)N3CCN(c4ncccc4C#N)CC3)cc2)c1 515229857 LJXAHKZUFNWAFJ-UHFFFAOYSA-N 443.576 5.075 30 20 IKED COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)[C@H](C#N)c2nc3ccccc3o2)cc1 515597246 DBMMLONBIQARNE-SFHVURJKSA-N 429.388 5.027 30 20 IKED N#CCCCOc1cccc(NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)c1 515621440 IWXMPPSSCDHXBC-UHFFFAOYSA-N 438.858 6.508 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccccc4C)c3C)n2)cc1 516269948 GGSWSTKOGNUJON-IBGZPJMESA-N 428.517 5.111 30 20 IKED CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(Cl)cc1 518248835 NNFCUAZIULLTKN-JOCHJYFZSA-N 433.895 5.210 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3nnc(Cc4cccc(F)c4)s3)cc2)cc1 518362328 OWSCWFGPKAFYDT-UHFFFAOYSA-N 444.491 5.379 30 20 IKED COc1cc([C@@H](C)NCc2ccc(C#N)cc2C(F)(F)F)ccc1OCc1ccncc1 518450959 JQQTVUITNXPWQM-MRXNPFEDSA-N 441.453 5.410 30 20 IKED CCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1OCC 518870539 CJKIRRSRWXNXOX-CQSZACIVSA-N 428.460 5.376 30 20 IKED CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 519442428 KMRFZOKEYDCPAU-DLBZAZTESA-N 441.622 5.255 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H](c3ccccc3)C3CCC3)s2)cc1 520586118 HQXOHRPBKLHMKW-IBGZPJMESA-N 435.578 5.365 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1nc(-c2ccccc2)cs1 520749815 IBQMBAARJOQXHY-HNNXBMFYSA-N 439.327 5.793 30 20 IKED C=CCn1c(S[C@@H](C)c2ncc(-c3ccccc3)o2)nnc1[C@H]1COc2ccccc2O1 524915942 XTHUVHDTDCXPJK-HRAATJIYSA-N 446.532 5.485 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCO[C@@](C)(c3ccccc3)C2)cc1 531597405 MBIQJIPPLOHDLS-AREMUKBSSA-N 443.503 5.139 30 20 IKED COc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)cc1C#N 533467687 CRTJDMQYKPJBJP-UHFFFAOYSA-N 433.924 5.155 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1c(C)cccc1Cl 533787421 WJDVMAPVZOCDRQ-UHFFFAOYSA-N 442.972 5.044 30 20 IKED C=C[C@H](CC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1)c1ccccc1 533886384 BJSVVMMBMRKRCS-NGOKVRLYSA-N 427.544 5.538 30 20 IKED N#Cc1ccccc1COc1cccc(CNC2(c3ccc(F)cc3F)CCOCC2)c1 535542000 HNLNPKNFUFVZPW-UHFFFAOYSA-N 434.486 5.211 30 20 IKED COc1ccc(OC2CCN(C(=O)c3ccccc3Oc3ccccc3C#N)CC2)cc1 538679084 CICQSJSSCUNZOH-UHFFFAOYSA-N 428.488 5.043 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)c3ccc(Br)cc3C(F)(F)F)c2C#N)C1 539551820 BDFNBJAPNRRSJH-VIFPVBQESA-N 443.288 5.778 30 20 IKED CC[C@@H](C)c1ccc2nc(N(Cc3ccccc3)C(=O)[C@H](C)n3cnc(C#N)n3)sc2c1 540602511 KPAJNPIBMVKBOA-SJORKVTESA-N 444.564 5.067 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cccc(C(F)F)c2Cl)CC1 541647107 HVMGFZMGBBZOSX-UHFFFAOYSA-N 446.841 5.252 30 20 IKED O=C(Cc1cccnc1)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 542155884 XCBNRTUAYCOWBG-AWEZNQCLSA-N 430.270 5.082 30 20 IKED N#C[C@@H](C(=O)c1cnc(OCC2CC2)c(Cl)c1)c1nc(-c2c(F)cccc2F)cs1 543213587 BZSJUHXJWJCCPG-ZDUSSCGKSA-N 445.878 5.416 30 20 IKED Cc1nc(CCC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)oc1-c1ccccc1 543857945 GYGZEFBILOIJEV-IBGZPJMESA-N 435.527 5.999 30 20 IKED CN(Cc1ccccc1)Cc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c1 544153994 VAWNMGRDSINCNQ-QHCPKHFHSA-N 438.556 5.327 30 20 IKED Cc1ccc(Oc2ncccc2-c2noc(-c3ccc(C#N)c(C)n3)n2)c(Br)c1 546544375 WQHQRWMOMZGCAX-UHFFFAOYSA-N 448.280 5.237 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)Nc3cc(C#N)ccc3NC3CC3)ccc21 552244874 JHCQTWCCYJTAOG-UHFFFAOYSA-N 427.430 5.334 30 20 IKED C[C@H](NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc(-c2cccc(C#N)c2)cc1 572072169 ZGBMYMFYTFHRJO-BVZFJXPGSA-N 427.504 5.276 30 20 IKED C=CCn1c(S[C@H](C(=O)OC)c2ccccc2C(F)(F)F)nnc1-c1ccoc1C 579634614 HEWGBMBRFZSLAN-INIZCTEOSA-N 437.443 5.058 30 20 IKED C=CCc1cc(CN[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc(OC)c1O 581090380 FCGGZTSVLKJINN-KRWDZBQOSA-N 434.511 5.372 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3C[C@H](c4ccccc4)[C@H]4COCC[C@@H]43)cc2)cc1 587829709 GZFLNQRCPXXHIV-PFBJBMPXSA-N 438.527 5.190 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4c(F)cccc4F)n3)n2)cc1 587988829 VFMWJWPBSCXHRD-CQSZACIVSA-N 448.479 5.574 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl 591532529 UNLUONHDEVSHHB-UHFFFAOYSA-N 429.948 5.049 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)cc1 591952138 GCIUAQDCQOMFAY-UHFFFAOYSA-N 434.923 5.016 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1nc2cc(F)ccc2s1 592974442 XEPYTFOLNWJUJR-ZDUSSCGKSA-N 448.376 5.269 30 20 IKED Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603673406 RNUUPCKKLDRHJV-QFIPXVFZSA-N 441.918 6.140 30 20 IKED CCN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)[C@H](C)c1ccc(F)cc1 604422289 RYMGIWYDYLWNSG-GOSISDBHSA-N 445.494 5.346 30 20 IKED COc1cccc(F)c1[C@H](C)NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 608458668 CWJOQEIJXZBCQN-HBNTYKKESA-N 430.364 5.104 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2nc(-c3ccsc3)oc2C)cc1 608871297 AVKNEGSQSLBAOR-UHFFFAOYSA-N 445.500 5.565 30 20 IKED CCc1nc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cs1 609080035 ROJACZXARZJXLP-UHFFFAOYSA-N 440.956 5.473 30 20 IKED CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1 609126432 JMXDFXWUNDAAON-UHFFFAOYSA-N 442.519 5.260 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(F)ccc1Br 609378408 GPZUFLVTIWIRQO-UHFFFAOYSA-N 447.251 5.865 30 20 IKED CSc1cccc([C@@H](NC(=O)NCc2ccc(C#N)cc2F)c2cc(F)ccc2F)c1 610402256 GSMZTVDOEZBMJM-JOCHJYFZSA-N 441.478 5.286 30 20 IKED CCCN(C(=O)c1cc2ccccc2n1CC#N)[C@H](c1cccnc1)c1ccc(F)c(C)c1 611472332 ZUWGCHBHDJEGEB-SANMLTNESA-N 440.522 5.649 30 20 IKED C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 612804182 DAGPYIQPNOLLLS-USWWRNFRSA-N 432.355 5.577 30 20 IKED O=C(c1ccc(Oc2ccc(F)cc2)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618301339 NOUGVWPNWWXTOF-OKILXGFUSA-N 435.339 5.821 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)c(Cl)c1 619450805 VHRABIXESFWVSF-UHFFFAOYSA-N 425.140 5.738 30 20 IKED CC(C)[C@@H](CC(F)(F)F)NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 622543215 DGJPODWLPCLGDM-GFCCVEGCSA-N 425.291 5.196 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C(=O)c1ccccc1)C(C)C 643092408 IQJKXOYXQJVSOB-JOCHJYFZSA-N 425.529 5.182 30 20 IKED C=CCOc1ccc(-c2nc(Cc3nc(O)c4c(-c5ccccc5)csc4n3)no2)cc1 680656633 QXSLTZQNXXJENE-UHFFFAOYSA-N 442.500 5.270 30 20 IKED C=CCn1c(C2CC2)nn(CNC2(c3ccc(Br)cc3)CCCC2)c1=S 727166949 OABFKUIYRIVSKW-UHFFFAOYSA-N 433.419 5.257 30 20 IKED Cc1cc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)c(C)n1-c1ccc(C#N)cc1 728267763 CCRBNPGQNRQZAO-UHFFFAOYSA-N 440.547 5.090 30 20 IKED O=C(/C=C\c1nccn1CC(F)(F)F)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 728698113 CVLKVFKYMGMKTL-YVMONPNESA-N 430.373 6.089 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 729655858 WAOIGWFYYJZYKC-CYBMUJFWSA-N 449.429 5.330 30 20 IKED CC[C@H](Oc1ccccc1C(C)C)C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 730073776 SSRUMQLSGWPHAO-UNMCSNQZSA-N 434.561 5.976 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 730376476 XGCVFLNRZNKIEK-INIZCTEOSA-N 448.450 5.072 30 20 IKED CC(C)c1ccc(C=NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1[N+](=O)[O-] 733079739 JPBXREJWENCWLF-UHFFFAOYSA-N 430.390 5.035 30 20 IKED C=CC[C@H](NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C)c1ccncc1 734234109 GZDHVRBWBRJWHB-QFIPXVFZSA-N 429.524 5.331 30 20 IKED CC(C)(CCC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)NC(=O)OC(C)(C)C 739161875 USKSHTADDKXOJI-CYBMUJFWSA-N 449.523 5.348 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2c(Cl)nc3sccn23)cs1 741843987 LKKCFDZEGAMROF-DAXSKMNVSA-N 446.916 5.226 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=S)N[C@H]1CCc2ccccc2C1 743000345 YBXATUYPLFCLTM-KRWDZBQOSA-N 435.540 5.555 30 20 IKED Cn1ccnc1C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 743092860 FPGPDELJCVAJJH-JWQCQUIFSA-N 435.531 5.181 30 20 IKED C/C(=C\C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1C(F)(F)F 744031488 YKWNNBPVODQTRF-ZHZWZMEUSA-N 441.236 5.763 30 20 IKED CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 744765808 HXPOCLJWGYHVCJ-XMMPIXPASA-N 448.517 5.216 30 20 IKED C[C@H](OC(=O)C(C)(C)c1ccc2ccccc2c1)C(=O)Nc1sc2c(c1C#N)CCC2 745418919 XBIHHJIBGXQUTG-HNNXBMFYSA-N 432.545 5.110 30 20 IKED Cc1cc(C)c(NC(=O)[C@H](C)ON=Cc2c(C)nn(Cc3ccccc3)c2C)c(Cl)c1 748100266 JANWAMBKYXSFDO-IBGZPJMESA-N 438.959 5.196 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 748312174 IZIJVWUELKSWOH-VWLOTQADSA-N 446.547 5.434 30 20 IKED N#CCC[C@@H](NC(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1ccccc1 748523651 YBZSADOWZJNWRC-JOCHJYFZSA-N 428.540 5.228 30 20 IKED N#Cc1ccc(Oc2ccc(OC(=O)CCCc3nnc(-c4ccccc4)o3)cc2)cc1 748688414 WMVMYZIEIBOYFF-UHFFFAOYSA-N 425.444 5.329 30 20 IKED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CC(=O)[C@H](C#N)c1nc3ccccc3s1)C2 749024239 YUBSNCYPWRIBJT-ULQDDVLXSA-N 425.554 5.041 30 20 IKED O=C(Cc1cc(F)cc2c1OCOC2)O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 750214485 CSYJJVIYZITLCB-KRWDZBQOSA-N 438.295 5.100 30 20 IKED C/C(=C/C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(Cl)c1 750571608 BFZNAUQEQJZXFQ-CCAPLTMGSA-N 428.941 5.177 30 20 IKED CCOc1cc(/C=C/C(=O)c2c(C)nn(CC)c2C)cc(Br)c1OC(F)F 750910371 RWEMPVUWNGBDGY-BQYQJAHWSA-N 443.288 5.179 30 20 IKED C[C@H](C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc2ccccc2c1 753522321 YRACJRZGFNNAGP-MSOLQXFVSA-N 432.545 5.519 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCc3csc4ccccc34)n2)cc1 756241633 DDYJDNLFCYXLDT-FQEVSTJZSA-N 427.554 6.096 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 760789904 PPFDMLSAGPGSOI-UHFFFAOYSA-N 446.413 5.200 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 760795677 GEFDPHGOAPSWBM-OAQYLSRUSA-N 428.822 5.279 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CNC2(c3nccs3)CCCC2)c1=S 764123756 JSMRCUFFLGNOJE-UHFFFAOYSA-N 432.018 5.394 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 764238651 XPLWJWSZHFVVFG-SFHVURJKSA-N 439.537 5.240 30 20 IKED C=CCn1c(SCc2cccc(SC(=O)N(C)C)c2)nnc1-c1cccc(OC)c1 768411214 KIZBAGIHJPBOSU-UHFFFAOYSA-N 440.594 5.206 30 20 IKED N#CCCCn1cc(C(=O)OC2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2ccccc21 774266611 RGMJRYULXMKBMT-UHFFFAOYSA-N 449.938 5.060 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CCOc3cc(Cl)ccc3C2=O)cs1 774558968 NMLFZTVHIZDARJ-GXDHUFHOSA-N 442.899 5.669 30 20 IKED CC(=NOCc1ccc(Cl)cc1C#N)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 774739728 VJVGQTCATHQNMF-UHFFFAOYSA-N 433.821 5.060 30 20 IKED C#CCCNC(=O)Nc1ccc([C@H]2CC[C@H](N(C)C(=O)c3ccc(Cl)cc3)CC2)cc1 785873682 CNLGGGWANROTMB-UILWBTOOSA-N 437.971 5.283 30 20 IKED CC[C@@H](NC(=O)[C@H](C#N)C(=O)c1ccc(Sc2ccccc2C#N)cc1)c1ccccc1 787040782 MVUKBGQCFYCLKK-DHIUTWEWSA-N 439.540 5.299 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C 789455383 KDWXDWJXTMNEBH-NQIIRXRSSA-N 429.605 5.838 30 20 IKED O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 790467746 HZFLPXWGBKXULP-UHFFFAOYSA-N 432.785 5.194 30 20 IKED C[C@@]12CCN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)C[C@@H]1C2(Cl)Cl 791185408 POJBLJBWGBULPY-AZUAARDMSA-N 435.738 5.660 30 20 IKED CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(Cl)cc(Cl)c1 799223872 MXRMKPFEISWCAP-INIZCTEOSA-N 440.327 5.113 30 20 IKED COc1cc(CNC(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)ccc1C#N 810164830 HQCCPKGGZKUJPF-HNNXBMFYSA-N 436.364 5.174 30 20 IKED N#C[C@@H](C(=O)CCc1nc2ccccc2n1-c1ccccc1)c1cc(C(F)(F)F)ccn1 813216010 DTGSYSSITJQPDB-GOSISDBHSA-N 434.421 5.248 30 20 IKED C[C@@H](Nc1ccc([C@H](O)C(F)(F)F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 864021114 HGTPBWJTYOXTNX-PSLIRLAXSA-N 431.298 6.493 30 20 IKED Cc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1NC(=O)c1ccccc1 915085219 IUUDDQGDEMUFBL-SANMLTNESA-N 445.522 6.155 30 20 IKED CCOc1cc(/C=C2\CCc3ccccc3C2=O)ccc1OCC(=O)Nc1ccccc1 916135723 LBEXYALHGQKZDE-LTGZKZEYSA-N 427.500 5.315 30 20 IKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(C2CCCC2)C1=O)Nc1ccccc1F 916208967 BKAHNQGKIDQZFJ-LJQANCHMSA-N 445.947 5.382 30 20 IKED CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)SC1=Nc1ccccc1 916210740 HZVMJVNDXFWXKP-IBGZPJMESA-N 445.972 5.027 30 20 IKED Cc1ccccc1CN1CCC(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 916382275 XJYBPICSNUMEAV-MHZLTWQESA-N 438.575 5.437 30 20 IKED C[C@H](Cc1ccccc1Cl)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 916691915 MWRVKOPYSMAKIE-CYBMUJFWSA-N 443.985 5.108 30 20 IKED N#C[C@H](C(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1ccccc1Cl 916907452 AWARMGHKBDPLCP-SECBINFHSA-N 432.090 5.027 30 20 IKED CCCCc1oc2ccccc2c1/C=C\C(=O)[C@H](C#N)C(=O)Nc1c(CC)cccc1CC 916911215 ZRQNWHKFIVIXDM-YNKYUBPOSA-N 442.559 6.261 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3ccc(OC)cc3)nc2C)cc1 916953519 CUJOWVFZCPKNRI-QVKFZJNVSA-N 447.560 5.602 30 20 IKED COc1ccc(SCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916977123 KLJRITWTNOQQHC-GOSISDBHSA-N 428.966 5.831 30 20 IKED CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 918346222 CVPMKLLHMOPOMZ-UHFFFAOYSA-N 438.556 5.308 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 920109964 LEIJEYCCNBYCHV-SFHVURJKSA-N 449.297 5.293 30 20 IKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)CC4CCCC4)CCC3)cc2)c1 1786041326 NSBMHYCKGTUGEM-UHFFFAOYSA-N 429.564 5.205 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(N(C)C)c4ccccc34)cc2)CCC1 1788991186 YSYMSCPIZXVKGX-UHFFFAOYSA-N 439.559 5.067 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ncccc34)CCC2)cc1 1789453576 BFFMSNJHWOHQPD-FQEVSTJZSA-N 428.536 5.079 30 20 IKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3ccccc3F)cc2)CCC1 1790214326 KFIMNLMGLXJNFD-OUKQBFOZSA-N 448.519 5.074 30 20 IKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](CC)c2ccccc2)[C@@H]1c1cccnc1 1803082269 QPUHFRSBHLMLGM-JIMJEQGWSA-N 445.607 5.050 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc(C)cc(F)c3F)CC2)C1 1804866932 ZFUYSWWLFVHPFU-UHFFFAOYSA-N 432.555 5.110 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3cnccc23)CC1 1828652670 MSVWHUIDOWALMJ-AREMUKBSSA-N 445.607 5.237 30 20 IKED Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)c1Cl 1829957165 BEOGGMPMKMDHPV-QHCPKHFHSA-N 449.982 5.067 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)c2ccc(O)cc2)CC1 1830333531 RKGGTMBZMHFNLH-YKSBVNFPSA-N 440.628 5.108 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cccc(O)c2)CC1 1831500980 XUPUGBCUGRZZFY-LCJITAHGSA-N 438.612 5.018 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832627868 KLZXDVPJSDOUHR-BWKNWUBXSA-N 449.639 5.539 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C3CCCC3)CC2)c1 1832634820 ZYTTZUIVHWMNMT-XSTKFIBXSA-N 447.623 5.293 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccccc1-c1ccc(C)cc1 1847531554 HIPRVFHLXPCPCK-UIOOFZCWSA-N 428.576 5.246 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2cccc(Cl)c2)cc1 10831167 PZPCRLCKVIVEOT-UHFFFAOYSA-O 438.016 6.364 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2ccccc2)c(C)n1C 11113497 VOJJIILDFNJOHB-UHFFFAOYSA-O 446.568 5.295 30 20 IKED O=C(/C(=C(\S)Nc1ccccc1F)[n+]1cccc(O)c1)c1ccc(Cl)cc1Cl 11169227 IIGPYWGMMRVJAJ-UHFFFAOYSA-O 436.315 5.177 30 20 IKED Cc1c(Cl)cccc1-n1ccnc1SCC(=O)Nc1ccccc1SCC#N 21533791 AOWNNSXBOJOMCS-UHFFFAOYSA-N 428.970 5.181 30 20 IKED Cc1ccc(Nc2nnc(S[C@H](C)C(=O)Nc3ccccc3C#N)s2)cc1Cl 21737665 WSKQLLBHHCDKKC-GFCCVEGCSA-N 429.958 5.235 30 20 IKED Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc(CC#N)cc3)[C@H]2c2cccs2)cc1 26384186 FGKHFYRGKXJMHP-URXFXBBRSA-N 429.545 5.246 30 20 IKED CCOc1ccc(NC(=O)c2ccc(NC(=O)CSCc3ccc(C#N)cc3)cc2)cc1 57683756 HHVFTXRGJIUNEQ-UHFFFAOYSA-N 445.544 5.081 30 20 IKED CCCC(=O)Nc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1C 63107799 OLQOAOHUFCMTQC-UHFFFAOYSA-N 443.572 6.150 30 20 IKED N#CCCCOc1cccc(/C=C2\SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)c1 110425803 KEVQTFDDZOGXCN-PDGQHHTCSA-N 431.439 5.470 30 20 IKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 302932607 GEUPRXSCHFDPFZ-UHFFFAOYSA-N 443.572 5.779 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(C3CC3)nc3ccccc23)cc1 303107897 APNMQAWQCXONJU-UHFFFAOYSA-N 433.511 6.010 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc2c(F)cc(Br)cc2[nH]1 303310130 FKOZAMDIPJFTDL-NSHDSACASA-N 432.318 5.716 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 303619222 CWKWHPAMSIIBNY-UHFFFAOYSA-N 442.906 6.059 30 20 IKED COc1ccc(Cc2nnc(SCc3ccc(-c4ccccc4C#N)cc3)o2)cc1OC 303708643 TUSJYALXMIUOIL-UHFFFAOYSA-N 443.528 5.509 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)c1ccn(-c2cccc(C#N)c2)n1 409828839 OHHVWJKOKDFTMD-KRWDZBQOSA-N 427.533 5.009 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCOc2c(Br)cccc21 410089289 SMIRKVQNHRGVKQ-HXUWFJFHSA-N 442.357 5.012 30 20 IKED CC(C)CNC(=O)c1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1Cl 432900842 OHUTZSRBJCDCJX-NRFANRHFSA-N 426.948 5.282 30 20 IKED C=CCc1cc(CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc(OC)c1O 436402016 YVQXJEHJMIAFNE-KRWDZBQOSA-N 433.392 5.931 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 437493014 JSWQCSYUDMIOAU-UHFFFAOYSA-N 448.375 5.129 30 20 IKED CC(C)Oc1ccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(C(F)(F)F)c1 438012602 QFPYWCJTAPTCPE-RXVVDRJESA-N 431.458 5.796 30 20 IKED C[C@@H](SCc1ccc(C#N)cc1OC(F)F)C(=O)Nc1ccccc1C(F)(F)F 439545572 HMQRHRYTBURLEP-LLVKDONJSA-N 430.398 5.439 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(CCC(F)(F)F)cc2)cc1 439989443 QPPIQOLSTFXWFV-UHFFFAOYSA-N 440.490 6.598 30 20 IKED COc1ccc(CC[C@@H]2CCCCN2C(=O)N[C@H](CCC#N)c2ccccc2)cc1OC 440248337 WKXPQFQWEPAIAQ-XZOQPEGZSA-N 435.568 5.246 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OCc4ccccn4)cc3)n2)cc1 442856349 DEYXKPKMEFPXKG-QFIPXVFZSA-N 441.512 5.283 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](Oc2ccccc2Cl)C1 443936065 DCAUUQAMLLSVNE-DLBZAZTESA-N 429.973 5.810 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c1C#N 445562476 DDTNEEPLBOAPMF-HOTGVXAUSA-N 442.466 5.227 30 20 IKED CN1C(=O)N(c2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C(=O)[C@@H]1Cc1ccccc1 445980732 FWPWSHADICJVRE-NRFANRHFSA-N 431.879 5.014 30 20 IKED Cc1cnccc1OC1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 446118728 XPVLOGHINXHPLK-UHFFFAOYSA-N 428.492 5.129 30 20 IKED C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 460380782 AQYZQRLMFBLAOV-TZIWHRDSSA-N 443.576 5.482 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1 463741144 IEYSKHCPEOXHAV-UHFFFAOYSA-N 427.338 5.530 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c12 464934749 DRUKUSKKNZOVEA-SIKLNZKXSA-N 440.503 5.347 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2F)nnc1-c1ccco1 466571828 FZTUHXFSGHUSNK-UHFFFAOYSA-N 441.315 5.291 30 20 IKED CC[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1nc(C(F)(F)F)cs1 467705292 PVZDDAIHWQVAGY-NEPJUHHUSA-N 428.505 5.829 30 20 IKED COCc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)o1 468232569 ZWSCTBAAQWTNBM-KOSHJBKYSA-N 429.520 5.572 30 20 IKED C=CCC[C@@H](C(=O)N1CCC(c2nc(-c3ccccc3OC)no2)CC1)c1ccccc1 470094189 SQESEYIEPDXCLV-OAQYLSRUSA-N 431.536 5.201 30 20 IKED CCc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 475661380 LQFKULHNCXRVKF-UHFFFAOYSA-N 435.911 5.113 30 20 IKED N#CCC[C@@H](NC(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1)c1ccccc1 477221876 LICZTZIWCIUAFN-WOJBJXKFSA-N 430.321 5.384 30 20 IKED CC(=O)Nc1cc(O[C@@H](C)c2ccc(C#N)cc2)c(Br)cc1Br 478817967 AADZNGYSPBUFLJ-JTQLQIEISA-N 438.119 5.182 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(C(=O)NC3CCCCC3)CC2)cc1 479577881 QFYSHGJAXPZLQF-UHFFFAOYSA-N 447.604 5.011 30 20 IKED FC(F)c1ccnc(N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)n1 480110932 BVEZCFZZQUYGND-ZDUSSCGKSA-N 427.295 5.030 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1 480564603 CJDCHNMEOAEXRO-LIRRHRJNSA-N 433.936 5.479 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2nc3ccccc3o2)cc1 480833369 YBHONARPBROAAW-QFIPXVFZSA-N 444.535 5.401 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCCc2ccccc2Br)c1C 482081079 YGABLNXYXLIXKW-UHFFFAOYSA-N 437.341 5.085 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)cc1 482209996 MWRPGELWOZIWDA-UYAOXDASSA-N 432.511 5.949 30 20 IKED C=CCOc1ccccc1C(=O)Nc1c(Br)cc(F)cc1Br 484166088 QSDRQRWXADHWNW-UHFFFAOYSA-N 429.083 5.168 30 20 IKED COCc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 487420584 XRRKKEUSVMRVSV-UHFFFAOYSA-N 431.439 5.023 30 20 IKED Cc1cc(C)n(Cc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)n1 488319702 AILOHCKJFDGJRP-NRFANRHFSA-N 446.963 5.815 30 20 IKED CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 494530372 IPSDUOZANDFIAN-HXUWFJFHSA-N 438.314 5.860 30 20 IKED C[C@H](Nc1cccc(OCc2cccc(F)c2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 495548202 OTVUJVHYEZRPRG-HNNXBMFYSA-N 435.524 5.266 30 20 IKED C=CCOc1ccc(C(=O)N(CC)[C@@H](c2ccc(Cl)cc2)c2ccccn2)cc1OC 498338206 ZRUZLPCLPBLUMR-DEOSSOPVSA-N 436.939 5.560 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc([C@H]2CCCOC2)c1 499374354 GHAAPLVHBMABQF-KRWDZBQOSA-N 434.483 5.857 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@@](C)(c3ccccc3)C2)cc1C 499896618 DNYAAMZRMUEJDX-HHHXNRCGSA-N 426.564 5.275 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@H](C#N)c1ccccc1Cl 499923898 SIJLFFALRFIFHW-SCLBCKFNSA-N 446.359 5.651 30 20 IKED CCOc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(F)cc1OCCC(F)(F)F 500221316 VYZFPWLWWIQXBI-UHFFFAOYSA-N 440.315 5.222 30 20 IKED CC(C)OCc1cccc(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 502650088 JVAFTGAQARBXDT-UHFFFAOYSA-N 428.492 5.380 30 20 IKED Cc1oc(-c2ccco2)nc1CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 503089765 NLJPSXLTQTYMIO-UHFFFAOYSA-N 429.451 5.025 30 20 IKED Fc1cccc(F)c1[C@@H](NCc1nc(-c2ccc(C(F)(F)F)cc2)no1)C(F)(F)F 506280947 CONQGWMJVCIFTN-OAHLLOKOSA-N 437.290 5.427 30 20 IKED Cc1nc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)nn1-c1ccccc1C(C)C 507031027 DHJLXYAGRURGGC-MRXNPFEDSA-N 435.940 5.452 30 20 IKED COc1ccc(CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C2CC2)cc1 509891462 TXIRNARMNOCATP-UHFFFAOYSA-N 441.531 5.537 30 20 IKED C[C@H](OCCCNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccccc1 511537004 FZHGZBGSHONZBA-IBGZPJMESA-N 442.519 5.100 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)Nc3nc(-c4ccc(OC(F)F)cc4)cs3)CC2)c1 512143539 GWTKZXBODCOLBY-UHFFFAOYSA-N 429.423 5.093 30 20 IKED Cc1ccc(-n2ncc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)c2C(F)(F)F)cc1 513158531 BUWQMSOBHSVRJR-AWEZNQCLSA-N 438.331 5.103 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc(Cl)c1OCCC(C)C 513191560 PPCWRKGKXQRYQP-HNNXBMFYSA-N 440.849 5.677 30 20 IKED CC(C)CC(=O)Nc1cccc(CNC(=O)c2cccc(COc3ccccc3C#N)c2)c1 513226492 JQPZKCJSWDBGDH-UHFFFAOYSA-N 441.531 5.052 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 514205689 FJFPZLVOQJINGA-FQEVSTJZSA-N 432.417 5.684 30 20 IKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1ccc(C#N)c(Cl)c1 515231259 UIBPTXNFTYOUQO-UHFFFAOYSA-N 430.295 5.359 30 20 IKED CCCN(Cc1ccc(C)cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 515470568 CQUBECCRMUOOCA-UHFFFAOYSA-N 426.520 5.563 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4c(s3)-c3ccccc3OC4)n2)cc1 516270082 MRTNPPVOBVYWHO-SFHVURJKSA-N 444.537 5.930 30 20 IKED CCc1ccc(-c2nc(CC(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cs2)cc1 517680521 CYIVWYKBMAANFX-SFHVURJKSA-N 430.360 5.603 30 20 IKED CC(C)(C)c1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1 517923733 GGBNSDGPFPZTCG-GFCCVEGCSA-N 436.389 6.361 30 20 IKED Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 519431634 IASDPUNYLQPNLZ-CYBMUJFWSA-N 441.906 6.112 30 20 IKED CCCCCn1nc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccccc2c1=O 519433026 MPSSOGNYYCFJLP-QGZVFWFLSA-N 434.565 5.091 30 20 IKED Cc1nc2cc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)ccc2n1-c1ccccc1 520924346 VNLHFVFFKXOJOY-KRWDZBQOSA-N 426.545 5.981 30 20 IKED Cc1c(Cl)cccc1NC(=O)CCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 520941213 GJTYCAICJNHGPD-UHFFFAOYSA-N 448.910 5.463 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 521666468 IMKAKQKUVAWYIQ-UHFFFAOYSA-N 440.478 5.222 30 20 IKED Cc1csc(-c2ccc(NC(=O)NC3CCC(Oc4ccccc4C#N)CC3)cc2)n1 523632919 PUXAFCATKBICBC-UHFFFAOYSA-N 432.549 5.502 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)c2)cc1 523716875 HSYYUEWKCFHBHF-OAQYLSRUSA-N 436.298 5.439 30 20 IKED CC[C@@H](C)N(Cc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 523984525 KKHOXSVUBPTHTH-OAQYLSRUSA-N 427.548 6.164 30 20 IKED Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 524128375 OOSJLJHEHLYFER-QPPBQGQZSA-N 439.559 6.050 30 20 IKED O=C(c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)N1CCC([C@@H](O)C(F)(F)F)CC1 532244118 SXRCLVLLMAISSC-GOSISDBHSA-N 449.366 5.287 30 20 IKED COc1ccccc1N(C(C)=O)c1nc(CN(CC(C)C)c2ccc(C#N)cc2)cs1 534472015 HXTNDKCGNLONNF-UHFFFAOYSA-N 434.565 5.371 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(OCc2ccccc2OC)c1C 536255412 ZVEIXQLEYWVEGE-UHFFFAOYSA-N 441.531 5.674 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CNC1(c2c(Cl)cccc2Cl)CC1 539330433 PVZULSMNQNTRCF-CQSZACIVSA-N 434.392 5.605 30 20 IKED COCCOc1ccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(C)c1 542948351 UDYDJAUQWDAMHB-LJQANCHMSA-N 429.520 5.442 30 20 IKED COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1SC 543856964 QGFMNHDSJJLUFE-OAHLLOKOSA-N 447.516 5.355 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 543883266 DXMGLJODEXXQSV-LSDHHAIUSA-N 437.491 5.023 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NCc1nnc(-c2cccc(C#N)c2)o1 544487094 RBPZMTRURLXBFG-ZDUSSCGKSA-N 435.940 5.544 30 20 IKED C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](C2CCOCC2)C1 549645358 SFUQFTUENRHSRZ-SFHVURJKSA-N 433.021 5.053 30 20 IKED CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 552704253 GUQWRFFNAVQSRR-UHFFFAOYSA-N 446.557 5.234 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 554446034 DATJBATVCPQMIH-CXAGYDPISA-N 438.380 5.490 30 20 IKED CCCc1c(NC(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cnn1-c1cccc(C#N)c1 558208489 BCTVEWKJNHASQE-CALCHBBNSA-N 433.478 5.281 30 20 IKED COc1ccc([C@H](NCc2cnc3ccc(C#N)cn23)c2ccc(C(F)(F)F)cc2)cc1 560260627 WATYQOHVUSQSCM-HSZRJFAPSA-N 436.437 5.113 30 20 IKED CC(C)N(Cc1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1)C[C@H]1CCCCO1 563974778 ORVBITMYGOWCHC-FTJBHMTQSA-N 448.611 5.633 30 20 IKED Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 569414209 NEZGXXTYOJLFSI-BJKOFHAPSA-N 428.492 5.096 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 569943369 HVTAQQQVKBNXIE-MAUKXSAKSA-N 425.520 5.074 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCN(CC(F)(F)F)CC2)cc1Cl 571292579 JPAHCUZEEFXTAO-IBGZPJMESA-N 435.877 5.208 30 20 IKED C=CCN(C(=O)Nc1ccc(-c2ccccc2)cc1C)[C@H](C)c1cccc(-n2cnnn2)c1 596354634 UGTDHQXTNFHKLW-HXUWFJFHSA-N 438.535 5.419 30 20 IKED C[C@H](c1ccccc1)n1c(Sc2ccc(C#N)cc2[N+](=O)[O-])nnc1-c1ccccc1 603869753 IIFBJTDUTDSNQO-MRXNPFEDSA-N 427.489 5.485 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1cc(C#N)cn1C(C)(C)C 603935206 PBYFLFHMBCTGLH-UHFFFAOYSA-N 432.471 5.818 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccn(-c3ccccc3)n2)cc1Cl 604084729 FYBYCJBPSNTADV-QHCPKHFHSA-N 441.922 5.503 30 20 IKED CC(=O)Nc1c(C)ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1C 604187595 WXDKXBULQXLTGI-UHFFFAOYSA-N 429.545 5.678 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)c1 608805543 MAMDNJIGHZPGSI-UHFFFAOYSA-N 438.487 5.182 30 20 IKED CC(C)C[C@@H](C#N)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 608822918 NTGMFWNNGPQUII-WQJNHMDYSA-N 434.521 5.190 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 608883340 MUFKYQVDHXDFCA-UHFFFAOYSA-N 437.952 5.962 30 20 IKED N#Cc1cc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)ccc1F 609102527 UILULTXBCNBEHQ-UHFFFAOYSA-N 442.294 5.173 30 20 IKED CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cc2ccccc2n1CC#N 609165494 KGRYFDIFMCMAOO-UHFFFAOYSA-N 425.536 5.040 30 20 IKED CCC(CC)CN(CCC#N)C(=O)c1ccc(Oc2ccc(Br)cc2)nc1 609189186 BSRCYWHBIVQQLQ-UHFFFAOYSA-N 430.346 5.428 30 20 IKED CC[C@H](c1ccncc1)N(CC)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 610093470 HDWRRNXMISGGTL-HSZRJFAPSA-N 427.508 5.211 30 20 IKED Cc1cc(C(=O)NC2CCN(CC#N)CC2)ccc1N[C@H](C)c1cc(Cl)ccc1Cl 610165489 PWLSLCZSISHSJE-MRXNPFEDSA-N 445.394 5.193 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H](OCCCc4ccccc4)C3)cn2)c1 610629422 GPAAOJDEDDNAGP-DEOSSOPVSA-N 442.519 5.001 30 20 IKED COc1ccccc1N(C(C)=O)c1nc(CSc2ccc(Cl)cc2C#N)cs1 610655286 YAOSSQXZWQPJEF-UHFFFAOYSA-N 429.954 5.654 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(OCc4ccc(F)cc4)CC3)c2)cc1 611261455 QPHFJLIYJGPRDI-UHFFFAOYSA-N 445.494 5.703 30 20 IKED Cc1ccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(N2CCCC2)n1 611596412 RTKMENVTGDYSHJ-UHFFFAOYSA-N 445.498 5.115 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@H](c1ccccc1)C(F)(F)F 612804634 ASWAYZDRCQXXTA-MROQNXINSA-N 436.318 5.499 30 20 IKED CCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC 612941611 AUAJDNSVDLQKKZ-MRXNPFEDSA-N 426.925 5.669 30 20 IKED O=C(Nc1ccc(-c2ccccc2)cc1F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618541966 PNVZTUCNPKOJEW-HUUCEWRRSA-N 434.355 6.087 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 642282501 XXXVQRRNTDFTAK-CQSZACIVSA-N 442.878 6.007 30 20 IKED CN(Cc1cccc(F)c1)C(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 673630611 LGPPPIQYVPFPDB-UHFFFAOYSA-N 445.338 5.321 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1csc(-c2ccc(OC(C)C)cc2)n1 726755940 OSOGETIDOOZMLQ-UHFFFAOYSA-N 442.544 5.346 30 20 IKED C=CCc1cc(C(=O)Nc2cccc(CC[C@H](O)c3ccccc3)c2)cc(OC)c1OC 727761769 CZOXQPMHAFTKEA-DEOSSOPVSA-N 431.532 5.351 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 729375653 PKMDLYJQSUFAKB-UHFFFAOYSA-N 443.503 5.628 30 20 IKED COc1cc(/C=C(/CC(=O)O)c2nc3cc(C(F)(F)F)ccc3s2)ccc1OCC#N 730438093 YXDVEVNBOPWLHE-JYRVWZFOSA-N 448.422 5.241 30 20 IKED Cn1c([C@@H](C#N)C(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)nc2ccccc21 730686460 PLSIVAQIIAHSIW-GAJHUEQPSA-N 433.870 5.362 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CSc3c(Cl)cccc3C2=O)cs1 731939305 MHUABEPTWVAPIJ-LCYFTJDESA-N 444.940 5.992 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)NCCc1cccs1 732919703 RHRKGYNASNMWCD-MRXNPFEDSA-N 439.968 5.011 30 20 IKED COc1ccc2[nH]cc(C(=O)/C=C/c3csc(N(C(C)=O)c4ccc(C)cc4)n3)c2c1 734307606 PQABWKIPXUWTOD-IZZDOVSWSA-N 431.517 5.522 30 20 IKED CCOC(=O)N(C)c1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 735002353 ATOWIDJJPOHFDY-UHFFFAOYSA-N 449.894 5.849 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2C[C@H](c3ccc(F)cc3)C[C@H]2C)c1=S 736594089 JKVKGSIGWCWFHD-IEBWSBKVSA-N 438.572 5.250 30 20 IKED CCCOc1ccc(CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1OC 740032548 XWDVRDBYQWAWAJ-UHFFFAOYSA-N 435.549 5.084 30 20 IKED COc1cc(C=NOCc2ncc(-c3ccccc3Br)o2)ccc1OC(C)C 742350510 DVDAQUJJWIJYPT-UHFFFAOYSA-N 445.313 5.451 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](COCc3ccccc3)C2)cc1 743093310 RHUVENFEDFIJGQ-BKMJKUGQSA-N 425.532 5.413 30 20 IKED CC(=O)c1cccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 745312983 GUTXLNMBRYRBFU-BLLLJJGKSA-N 432.423 5.161 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 746168440 WSDFLOMLBIFRAM-XLIONFOSSA-N 439.581 5.533 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 746436857 JREFXPVNOFLOHJ-KRWDZBQOSA-N 446.347 5.074 30 20 IKED CCN(Cc1cccc(NC(=O)N[C@H](CCC#N)c2ccccc2)c1)C(=O)OC(C)(C)C 748609939 FMNAKCKQFUCQRI-JOCHJYFZSA-N 436.556 5.610 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2csc(-c3ccccn3)n2)cc1 749123991 JIQOSQHCNMJZEX-UHFFFAOYSA-N 426.501 5.102 30 20 IKED CCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H]1CCN(c2ccccc2)C1=O 749225930 QCSAYAVIZGJUIR-LOSJGSFVSA-N 438.531 5.001 30 20 IKED COc1cc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)ccc1OCc1ccccc1 752047276 FKXQJAZZFXVHSN-ZEQRLZLVSA-N 426.516 5.186 30 20 IKED C/C(=C/C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1OC(F)F 753396073 RTXLTJVGMRRCMA-MSKHEQNASA-N 439.245 5.346 30 20 IKED C=CCOc1ccc(/C=C/C(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)cc1OC 756028941 USKBNBDBJFNHPE-WUXMJOGZSA-N 438.911 5.206 30 20 IKED C/C(=C/c1ccc(Cl)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 759206439 OIFMSOQMOKDLKQ-SBCUQWKCSA-N 430.891 5.883 30 20 IKED COc1ccccc1N=C1SCCN1C(=O)c1sc(-c2ccccc2)nc1C(F)F 761477465 ZABYZXXXUCEJCC-UHFFFAOYSA-N 445.516 5.633 30 20 IKED CC(C)(C)c1nn(Cc2ccccc2)cc1/C=C/C(=O)c1ccc(N2CCOC2=O)cc1 763291296 ZOFFPKSDUGOHQS-SDNWHVSQSA-N 429.520 5.082 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 763368235 ROMFRFBGGSBMNQ-GUDVDZBRSA-N 445.629 5.550 30 20 IKED COc1ccc(-c2nc(SCc3nc(-c4ccccc4)cs3)nc(O)c2C#N)cc1 766692159 PATUMCNADQGLQR-UHFFFAOYSA-N 432.530 5.145 30 20 IKED O=C(Nc1cccc(/C=C2/CCc3nc(O)ccc3C2=O)c1)c1ccc(Cl)cc1Cl 769614553 JYUNNTIGWQLTAG-UVTDQMKNSA-N 439.298 5.559 30 20 IKED N#Cc1cccc([C@@H]2CN(Cc3cnc(-c4ccc(Br)cc4)s3)CCO2)c1 770391090 NQUMLFURBYXYFL-FQEVSTJZSA-N 440.366 5.018 30 20 IKED N#C[C@@H](C(=O)CCCC(=O)c1ccc(Br)cc1)c1nc2cc(F)ccc2s1 774088108 BKCKPFPVDPNZGM-HNNXBMFYSA-N 445.313 5.427 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 780673620 XGPVKNMSLBOVJT-FXAWDEMLSA-N 431.496 5.177 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc2cc(Br)cc(C)c2o1 783068394 TXCYQWMOSMBOOM-INIZCTEOSA-N 435.277 5.499 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\COc3ccc(Cl)cc3C2=O)cs1 783715273 UOVBXDLMQGMREM-MDWZMJQESA-N 428.872 5.279 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)N(c3ccc4[nH]ccc4c3)[C@@H](C)CC(C)C)CC2)o1 788531134 LJAYBGRQWNFITB-KRWDZBQOSA-N 433.556 5.020 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(CCC(F)(F)F)Cc2ccccc2)cc1C#N 792336561 FRKUQWDGFBDHLD-UHFFFAOYSA-N 434.418 5.113 30 20 IKED O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)c1ccnc(F)c1 794719473 ARPWBYKTPDXGLQ-KHPPLWFESA-N 437.430 5.076 30 20 IKED N#CC[C@H](CC(=O)OCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1 795980538 DWJWGDUOFHGXDI-UTKZUKDTSA-N 445.346 5.288 30 20 IKED CCN(CC)C(=O)COc1ccc(C(=O)/C=C/c2csc(-c3ccc(F)cc3)n2)cc1 797128412 DNPYXWVZKXZCDT-SDNWHVSQSA-N 438.524 5.093 30 20 IKED COC(=O)Nc1cccc(N=Cc2cc(Br)cc(Br)c2O)c1C 797784705 GCBVQZLLNSXUOB-UHFFFAOYSA-N 442.107 5.155 30 20 IKED N#CC1(CCCOC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)CCOCC1 800080126 QSBHIOSTJRSWQN-HSZRJFAPSA-N 443.996 5.806 30 20 IKED CCOC(=O)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 800388322 YOJKMIOIGHDTQT-CQSZACIVSA-N 428.416 5.114 30 20 IKED Cc1nc(-c2ccc(NC(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)cc2)co1 804205110 RHEMGEHXUUNBHX-UHFFFAOYSA-N 434.927 5.420 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cccc(C(=O)O)c2)cs1 806559231 XHWXBLFQJFOCOI-YFHOEESVSA-N 426.881 5.075 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2c(F)cccc2Cl)cs1)c1ccc(F)cc1F 809159724 VKPJFQMXSVTLCV-SOFGYWHQSA-N 436.842 5.795 30 20 IKED N#Cc1c(NC(=O)c2cc(Cl)ncc2Br)sc2c1-c1ccccc1CC2 812923030 NSZZSGKQAYZLGM-UHFFFAOYSA-N 444.741 5.449 30 20 IKED N#CCOc1cccc(NC(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)c1 813843125 GINZURZCNIMGMP-QHCPKHFHSA-N 435.911 5.322 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@@H](c2ccc(F)cc2)c2ccc(Br)o2)c1 815593646 SSMDZFGDYQWCFJ-GCJKJVERSA-N 443.316 5.741 30 20 IKED Cc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1 837519292 OXRPRESKGMOYND-QFIPXVFZSA-N 447.535 5.295 30 20 IKED C=CCn1c(CCN2CCCCC2)nn(CN2CCC[C@H]2c2ccc(Cl)cc2)c1=S 914567051 VFZYJTQYYJQVHE-NRFANRHFSA-N 446.064 5.076 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2(c3cccc(Br)c3)CC2)cc1 915085254 JMTIBSDYLHTZLT-JOCHJYFZSA-N 431.333 5.775 30 20 IKED CC(C)c1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cnn1-c1ccc(F)cc1 915086364 USNFRHAVYWNPKO-DEOSSOPVSA-N 438.506 6.043 30 20 IKED O=C(O)C(=O)/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc2ccccc2n1 916138561 NJSBPWJNKKRWKW-ATVHPVEESA-N 448.818 5.251 30 20 IKED CC(C)(C)c1ccc(OCc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3)cc2)cc1 916899102 LMWOFOBWLSTKAL-XMMPIXPASA-N 426.516 5.524 30 20 IKED CC(C)(C)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 916927036 CYHWCIPKSLWKNM-CYBMUJFWSA-N 434.279 5.160 30 20 IKED CCCOc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1OCCC 916937143 BOUKNIHHTJHXJE-MRXNPFEDSA-N 432.879 5.018 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(Cc3ccc(F)cc3)n2)cc1 920878414 LSHLPIURJCTSBT-DEOSSOPVSA-N 441.531 5.710 30 20 IKED COc1ccccc1SCc1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCCCC1(F)F 1768987543 IOFWWVYUEVJIQF-IAGOWNOFSA-N 449.571 5.000 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cccc(C)c4[nH]3)CCC2)cc1 1786366878 BVUJKGPFQKAGTA-UHFFFAOYSA-N 445.563 5.207 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(C)noc3-c3ccccc3)cc2)CCC1 1788671961 WPGNXBDGPBYYDT-SFHVURJKSA-N 443.547 5.610 30 20 IKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)cn1C 1788799333 HOQZTQXXUOAHCX-SFHVURJKSA-N 440.547 5.022 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4cccs4)CCC3)cc2)cc1 1790706153 HWUOQIODOHGRHR-OUKQBFOZSA-N 441.556 5.275 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc4ccncc34)cc2)CCC1 1790858676 VZAQHFQBMPBASX-HSZRJFAPSA-N 439.559 5.751 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)c(Cl)cc3F)cc2)CCC1 1792175035 ALHQIUYEBOJWHK-UHFFFAOYSA-N 433.310 5.294 30 20 IKED C=CCC(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(CCCCC)cc2)[C@H]1c1cccnc1 1802996165 XRZNYZMDHCLSQE-HTJPCGSQSA-N 445.607 5.110 30 20 IKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3ccc(C)cc3s2)[C@H]1c1cccnc1 1812589818 DKCQWUXLXIPUMQ-XZOYJPPVSA-N 447.604 5.137 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CSC2CCCC2)n[nH]1 1815181445 NHTJYKZNWXNYOH-IBGZPJMESA-N 432.634 5.070 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3ncccc3c2)[nH]n1 1819305511 KWMLQVAJPCDCOM-REWPJTCUSA-N 443.551 5.032 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)Nc2ccccc2)CC1 1823752336 QFIGUJLPZFSTQG-ZJSXRUAMSA-N 439.644 5.099 30 20 IKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3CCCCC3)CC2)c(Cl)c1 1826282047 BIHTWSLKMVLNGL-QHCPKHFHSA-N 442.003 5.025 30 20 IKED CCCCCc1ccc(/C=C/C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCC#N)CC2)cc1 1826686906 RWSWOADJUWURNO-OXVFXORMSA-N 449.639 5.356 30 20 IKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1830063847 FYZUCLSOEAXXLY-QFQXNSOFSA-N 443.591 5.169 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(F)c2)CC1 1830485133 PNELRAUGUDGVSI-NFBKMPQASA-N 446.994 5.481 30 20 IKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1831859820 ZCXMICKCLWNUMX-VWLOTQADSA-N 432.564 5.288 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2ccc(CC)cc2)cc1 10173492 ADYMROUSUBPPIE-UHFFFAOYSA-O 445.652 6.447 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2ccc(C)c(F)c2)cc1 14872450 ZOJLBYZIDKFLNH-UHFFFAOYSA-O 435.588 6.042 30 20 IKED C=CCNc1nnc(S[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)s1 17053610 AVMBMKBQZIDKJM-AWEZNQCLSA-N 428.608 5.407 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)nnc1-c1ccco1 29550577 HSLRPQCCDZRWPG-OAQYLSRUSA-N 446.532 5.205 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1 58437202 JRFYSNPHVOIHAD-NLFFAJNJSA-N 435.568 5.334 30 20 IKED CCCc1ccc([C@H](NC(=O)N(CCOC)Cc2ccc(C#N)cc2)c2cccs2)cc1 60534593 SNJPKZCIUSAAHL-VWLOTQADSA-N 447.604 5.520 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2cccc(F)c2)n1)c1nc2cc(C(F)(F)F)ccc2s1 63236012 WQBMTEPMSFNEOM-CQSZACIVSA-N 430.386 5.130 30 20 IKED CCOc1cccc([C@H](C)NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 63392672 HRWSBVIWJOYEDL-KRWDZBQOSA-N 428.492 5.092 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC(c2nc3ccccc3s2)CC1 195633000 PPIQDHFAQLRSQA-UHFFFAOYSA-N 443.494 5.256 30 20 IKED C=CCN(CCc1ccccc1)C(=O)CCc1ncc(-c2ccccc2Br)o1 195721622 SZESTVHAVIOAEZ-UHFFFAOYSA-N 439.353 5.294 30 20 IKED CC(C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1 254849712 SJSZQPZVWZZHQE-GOSISDBHSA-N 433.936 5.095 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 302932392 DOGVQMBDKHCTKU-UHFFFAOYSA-N 449.485 5.547 30 20 IKED COc1ccccc1C[C@@H](C)CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 303288916 KHULZJGUPYLWDK-HXUWFJFHSA-N 428.532 5.548 30 20 IKED CN(C(=O)c1cccc(NC(=O)CCCCOc2cccc(C#N)c2)c1)c1ccccc1 303471147 NDXMBMDNLNHAIN-UHFFFAOYSA-N 427.504 5.023 30 20 IKED CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 410305730 JTZDCEJRWNRXQB-SFHVURJKSA-N 442.519 5.173 30 20 IKED CC(C)(CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccc(C(F)(F)F)cc1 429051791 ITOFZRGWVUTASZ-UHFFFAOYSA-N 440.469 5.190 30 20 IKED Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccccc1Cl 431980576 ITPUUISKNHUBMF-OAQYLSRUSA-N 438.314 5.018 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 436349906 DXTMOVMHIXTNPU-QGPMSJSTSA-N 433.499 6.025 30 20 IKED COCCCOC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 437898590 UMPLKFAZQDCMGH-UHFFFAOYSA-N 443.931 5.053 30 20 IKED COc1ccccc1C[C@H](C)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 437972527 BWYOCXQQGDXFOA-FQEVSTJZSA-N 443.547 5.549 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1ccn(-c2ccccc2F)n1 438306723 QESFVRQEBXBJFS-MRXNPFEDSA-N 440.569 5.135 30 20 IKED COc1cc(C)c(CN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1OC 438643722 BCLDIJRSXXPRHT-UHFFFAOYSA-N 449.482 5.479 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 441128270 RSRGXNVMBZYHDY-IFXJQAMLSA-N 439.972 5.837 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)c1ccc(Br)s1 444785957 RTQUHHJJBGSGDA-STQMWFEESA-N 438.416 5.194 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)c2cc(O)nc3ccc(F)cc23)c1 460326818 DIXWRAYHVPZSHB-UHFFFAOYSA-N 431.854 5.452 30 20 IKED C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2cc(Cl)cc(Cl)c2[C@@H]1C 460964447 UDXPSOJIBXOEJC-LSDHHAIUSA-N 439.387 5.009 30 20 IKED N#Cc1ccc(CN(c2nnc(Cc3ccsc3)n2Cc2cccs2)C2CC2)cc1 461312232 SUZUCEGQZWNZTH-UHFFFAOYSA-N 431.590 5.081 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(NC(=O)CCCC#N)cc2)CC1 462552547 OYAFWWPAYVTPDW-UILWBTOOSA-N 437.971 5.771 30 20 IKED C=CCCCCCN(C)C(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C 466235787 NHJRKSPUQYZOKH-XMMPIXPASA-N 442.625 5.184 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3ccccc3C)no2)nnc1-c1ccccc1OC 466616419 MPVCQBFZZMOCJY-INIZCTEOSA-N 433.537 5.351 30 20 IKED CC(=O)N(c1nc(COc2ccc(Br)cc2C#N)cs1)c1ccccc1F 468885120 IUMORVOVFYBRRO-UHFFFAOYSA-N 446.301 5.180 30 20 IKED CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470536450 DZAIXZYOXKNTCS-ILBGXUMGSA-N 444.579 5.460 30 20 IKED CC[C@H](NC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1nc(C(F)(F)F)cs1 473895261 IGDWQHODCOZBCM-LBPRGKRZSA-N 440.384 5.619 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 474262123 DLIOBPOOPPWVKI-MRVWCRGKSA-N 435.330 6.184 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 475572832 KJRINLHIENEFFK-UHFFFAOYSA-N 431.580 5.372 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H]2CCCc3nc(CC)sc32)cc1 478598912 FLBDHIHYLQPSDA-FQEVSTJZSA-N 438.597 5.061 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1cccc(Br)c1 481365120 SMOHBAPTBZKFMP-MRXNPFEDSA-N 435.435 5.108 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481693998 ZJJIZLDUCSEQMI-UHFFFAOYSA-N 442.494 5.592 30 20 IKED COCCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@@H](C)c1ccccc1 481742061 MKJQINOIGWWAGC-IBGZPJMESA-N 447.510 5.518 30 20 IKED C=CCN(CC1CCCCC1)C(=O)CCc1ncc(-c2ccccc2Br)o1 482797606 QYYSZOPLIFSKMA-UHFFFAOYSA-N 431.374 5.632 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@H](C#N)c3nccc4ccccc34)c12 483216464 AMPXSSBKVBDTAB-HXUWFJFHSA-N 425.536 5.656 30 20 IKED Cc1nc(NC(=O)c2c(-c3ccc(C(F)(F)F)cc3)noc2C)sc1SCC#N 483839668 SFGSVHDRHIQWJE-UHFFFAOYSA-N 438.456 5.302 30 20 IKED CCc1c(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cnn1C(CC)CC 485054704 NITFVAHQNMMQCC-UHFFFAOYSA-N 445.523 5.048 30 20 IKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)Nc1ccc(C#N)c(Br)c1 487966157 IAVHYVUOGMCSNX-UHFFFAOYSA-N 439.313 5.072 30 20 IKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1Cl)c1cccc(C(F)(F)F)c1 490491348 JZOCHANPROMOEV-GOSISDBHSA-N 437.849 5.073 30 20 IKED CCCc1c(NC(=O)Nc2cc(F)c(OC(F)F)cc2F)cnn1-c1cccc(C#N)c1 491258007 HMUBVGIBFVUUHT-UHFFFAOYSA-N 447.392 5.220 30 20 IKED CC(C)N(Cc1ccco1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 496312471 NXYLYRZOQKRUMX-UHFFFAOYSA-N 448.470 5.660 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 500753507 KHALHRZXUWCHPX-OAHLLOKOSA-N 429.501 5.344 30 20 IKED COCCOc1ccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(C)c1 502468854 MZPBNTCJXYCMAG-UHFFFAOYSA-N 449.482 5.254 30 20 IKED COc1ccc(-c2cc(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)sc2C)cc1 504743949 ZEMIZRHHWGKUOA-UHFFFAOYSA-N 432.545 5.287 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 505938969 RSSATVSPKRMULY-IBGZPJMESA-N 446.860 5.215 30 20 IKED Cc1cn2c(n1)[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)CCC2 506109783 YMTDMVLYVFVNBO-NQIIRXRSSA-N 433.943 5.200 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(c4ccccc4)CC3)c2)cc1 509879296 IWCYKLAGMDLEEL-UHFFFAOYSA-N 425.532 5.743 30 20 IKED CCSc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 510229148 NXOCJXLEZADBRO-KRWDZBQOSA-N 445.544 5.278 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1 510578265 JEEXQOJTLJBWBN-UHFFFAOYSA-N 440.956 5.009 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CC)[C@H](C)c2cc3ccccc3o2)cc1 511012398 MHXFCKHOLYOONA-LJQANCHMSA-N 431.536 5.862 30 20 IKED CCN(CC)C(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 511754879 JZHKUGKYQRXQQV-LJQANCHMSA-N 437.952 5.436 30 20 IKED N#Cc1cccc(-c2cnc(CNC(=O)c3cccc(F)c3Sc3ccccc3)[nH]2)c1 512165705 QMOYIXJDRYUJFK-UHFFFAOYSA-N 428.492 5.169 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccccc2COCc2ccccc2)c1 513486480 VZLUWQPYJCTGIL-UHFFFAOYSA-N 448.522 6.106 30 20 IKED Cc1nc(-c2ncccn2)sc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 515638693 IEYAFLDIRBSIDK-CYBMUJFWSA-N 437.594 5.245 30 20 IKED CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccccc3S[C@H](C)CC#N)n2)cc1 517517435 AHPOKLKGXCFSIK-QGZVFWFLSA-N 434.565 5.826 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)cc1 517733612 BEJMOCJSZRMLOK-BVAGGSTKSA-N 442.584 5.748 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnc2onc(C(C)(C)C)c2c1 518123675 SQIYMRUQHVRFHO-UHFFFAOYSA-N 427.464 5.140 30 20 IKED COc1ccccc1[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1 520941377 LRBRLWWYKJVLMU-HOYKHHGWSA-N 431.561 6.001 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1C 521447952 JUQRXVGJLSVGOD-HXUWFJFHSA-N 432.568 5.325 30 20 IKED CN(C)Cc1cccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 522337123 KILDXAJITBAGQO-UHFFFAOYSA-N 434.927 5.496 30 20 IKED Cn1c([C@@H]2CCCN2C(=O)c2cccc(COc3cccc(C#N)c3)c2)nc2ccccc21 522411488 VXDACGGCFPUKBE-VWLOTQADSA-N 436.515 5.001 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 523492980 APLFUCUTWAOLIL-AWEZNQCLSA-N 432.442 5.110 30 20 IKED C=CCCCCCN(C)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 523554499 URVILLXDXSNAOF-UHFFFAOYSA-N 445.585 5.015 30 20 IKED COc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1OC(F)F 524461410 XWHBVFNUHBPKJJ-UHFFFAOYSA-N 442.393 5.139 30 20 IKED COc1ccc(Oc2ccc(S(=O)(=O)Nc3ccccc3SCCC#N)cc2)cc1 524966427 MCVOAWMBJVTBKF-UHFFFAOYSA-N 440.546 5.294 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F 525001730 VHVBPYLFEHFCLY-YVEFUNNKSA-N 427.879 6.017 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)CCc2c(C)nn(CCC#N)c2C)cc1 525087671 ZIEWIPRTHKDUCW-HXUWFJFHSA-N 444.579 5.241 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(F)c1I 533069682 CSESOUITYMQVPE-LLVKDONJSA-N 440.281 5.077 30 20 IKED CCCN(Cc1ccc(C#N)cc1)Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 533242088 MMMWTSHUAIPIDV-UHFFFAOYSA-N 432.593 5.728 30 20 IKED CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1 534875906 WLJQWFFOCODYHC-OAHLLOKOSA-N 449.894 5.230 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 534985840 HBGQCDQWKSQGPI-VGSWGCGISA-N 433.930 5.009 30 20 IKED C[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1nc(-c2ccncc2)cs1 537507844 WNCRVMPPQIZKLO-SFHVURJKSA-N 426.545 5.507 30 20 IKED Cc1nnc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1C1CC1 542124943 ZKGJLJMCCNIOCL-CQSZACIVSA-N 446.317 5.352 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 542742125 RPVRUTAJGMFHCF-ILBGXUMGSA-N 429.495 5.084 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NCc1cccc(C#N)c1F 543505009 PHCSPBNUZWBAKB-GFCCVEGCSA-N 430.346 5.743 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@@H]3CCO[C@H](c4ccc(F)cc4)C3)cc2)cc1 544456400 JNKCTDUUOIWZRT-RDGATRHJSA-N 430.479 5.334 30 20 IKED N#Cc1ccccc1OCc1ccc(-c2nc(Cc3coc(-c4cccs4)n3)no2)o1 545004971 TVXPYYOPYUQUKK-UHFFFAOYSA-N 430.445 5.088 30 20 IKED Cc1csc(Oc2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)cc2F)n1 548059892 ORMMWVLLAYBSAB-UHFFFAOYSA-N 449.463 5.679 30 20 IKED N#CCCC[C@@H](NC(=O)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1)c1ccccc1 551597311 MSARYPJTZXYMHE-OAQYLSRUSA-N 439.943 5.151 30 20 IKED CC(C)OC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1 553865070 FCDDCTBIBWYUBU-UHFFFAOYSA-N 435.867 5.216 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 561216342 JQNIPPMVEBVINR-QFIPXVFZSA-N 449.963 5.190 30 20 IKED N#Cc1cc(F)c(C(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)c(F)c1 576214621 AVWRKOOEYVLZDT-NRFANRHFSA-N 426.850 5.178 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)CC1 577351400 PLZQGPDSTAKQQE-UHFFFAOYSA-N 440.528 5.163 30 20 IKED C=CCn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1C[C@H](c2ccccc2Cl)OC[C@@H]1C 580677379 DOXOLHNWMFBHOF-YRLHULLVSA-N 445.007 5.003 30 20 IKED CSCC[C@](C)(C#N)NC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1 580917221 SDVASUFZMRQBLA-JOCHJYFZSA-N 445.009 6.144 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)s2)cc1 592973505 GEGPCWSLPYMDPY-INIZCTEOSA-N 437.521 5.756 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3sc(-c4ccccc4)cc3C#N)cc(C3CC3)nc21 603968470 WICXJOANTFLCRY-UHFFFAOYSA-N 427.533 5.742 30 20 IKED C=CCn1c(S[C@@H](C)c2ccncc2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 605076075 HSHZGCZVLROQOV-AWEZNQCLSA-N 437.565 6.007 30 20 IKED C=CCn1c(SCC(=O)NC(C)(C)c2cccc(F)c2)nnc1-c1ccc(Cl)cc1 605638165 NFCMSQOQYXMWGF-UHFFFAOYSA-N 444.963 5.067 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3csc(-c4ccc(Br)s4)n3)[nH]c12 606753133 HQGRMTDFWBCXKB-SNVBAGLBSA-N 443.351 5.309 30 20 IKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(C(C)C)C2CCC2)c1 607065872 BHOKHZKTGYQMOH-UHFFFAOYSA-N 447.000 5.124 30 20 IKED COc1nc(C)cc(C)c1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 608994650 PMJMCPXEHLZAIJ-HXUWFJFHSA-N 434.927 5.338 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(OCc2ccccc2)cc1 609429076 CJGJBHFXDJMNMO-SFHVURJKSA-N 438.574 5.461 30 20 IKED C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 609508379 SPBDJPLLSJADTL-ZHRRBRCNSA-N 433.895 5.001 30 20 IKED Cc1cccc(COc2ccc([C@H](C)NC3CCN(c4ccc(C#N)cn4)CC3)cc2)c1 610809768 YEALMNQQIQLMOA-NRFANRHFSA-N 426.564 5.160 30 20 IKED C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1OC(F)F 618552098 CAGVMFCTKQJULE-GARJFASQSA-N 434.327 5.121 30 20 IKED CC(C)Oc1ncc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1Cl 678324653 QQKTZCSSOVKXMU-LBPRGKRZSA-N 439.846 5.641 30 20 IKED O=C(c1ccc(C(F)(F)F)cc1Cl)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 678750129 DFUWCGWVIKXZHC-RKDXNWHRSA-N 427.694 5.562 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCC(NC(=O)CC4CCCC4)CC3)n2)cc1 726321460 HTSKMYLDKGCSHB-HRTMPFAESA-N 449.620 5.550 30 20 IKED C[C@H](OC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)c1cccc(C#N)c1 727635510 IZFORZXIYINMRA-LSDHHAIUSA-N 426.925 5.793 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)/C=C/c3cc(C(F)(F)F)ccc3Cl)CC2)cc1 728829723 AMTAZESCGGLUEU-FPYGCLRLSA-N 434.845 5.314 30 20 IKED CC(C)n1ncc2cc(/C=C\C(=O)c3c[nH]c4cc(Br)ccc34)c(Cl)nc21 729937563 WGFQOUMNTHAFMT-UTCJRWHESA-N 443.732 5.806 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 731076309 BKYLOFHWGKKNRC-VOQZNFBZSA-N 444.556 5.519 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 731332548 OEQTWVKIHFEACJ-HXOBKFHXSA-N 442.540 5.787 30 20 IKED Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)Nc1ccccc1SC[C@H](C)C#N 731638852 NLQBTAAZFNONQK-MRXNPFEDSA-N 434.517 5.484 30 20 IKED Fc1nc(F)c(F)c(NN=C(CC(F)(F)F)c2ccc(Br)cc2)c1F 731923965 LUQINUGSBMBJNW-UHFFFAOYSA-N 430.121 5.169 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)OCc3cn4cc(Cl)cc(Cl)c4n3)cc2)nc1 732402922 WNBSVEAOCAOUDZ-UHFFFAOYSA-N 439.258 5.057 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)NCc2cccc(Oc3ccccc3)c2)ccc1OC 733642538 MJMXQVLZYLYCCK-OAQYLSRUSA-N 445.519 5.168 30 20 IKED Cc1cc(C(=O)Nc2cccc(CSC3CCOCC3)c2)c(C)n1-c1ccc(C#N)cc1 734826886 ZELHYMMNFOZWNX-UHFFFAOYSA-N 445.588 5.630 30 20 IKED C[C@@H](SCc1cc(Cl)ccc1OCC#N)C(=O)Nc1cccc(Br)c1 735318089 INZCDNGQQCVPDE-GFCCVEGCSA-N 439.762 5.265 30 20 IKED Cc1cc(F)ccc1-c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1F 735400177 SJSSLRJIGCMMIX-GOSISDBHSA-N 442.824 5.694 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C(C)C)cc2)[n+]2cccc(O)c2Cl)c1 735667288 WHEYBEIHVWANPZ-UHFFFAOYSA-O 449.983 5.761 30 20 IKED O=C1/C(=C\c2cc(F)ccc2F)CC(O)(C(F)(F)F)C/C1=C/c1cc(F)ccc1F 735792711 JGKMRAISZRIYCO-GFIWHYBVSA-N 430.319 5.366 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 742526712 SHLWKKXUKSZEHR-XXBNENTESA-N 435.568 5.199 30 20 IKED CCN(C(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 742575919 JTWSGRNUXOQBLW-PWHSHALESA-N 435.568 5.370 30 20 IKED C[C@H](C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccc(Br)s1 742695428 PWYKCTWIKOOPKT-LBPRGKRZSA-N 431.380 5.531 30 20 IKED N#C[C@@H](C(=O)C1(Cc2cccc(Cl)c2)CCCC1)c1nc2ccccc2n1C(F)F 744038320 QIMPZCIJDJMFQI-KRWDZBQOSA-N 427.882 6.064 30 20 IKED CN(c1ccccc1)c1ccc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)cc1[N+](=O)[O-] 745626857 SNWLKGREYUQVOB-QBFSEMIESA-N 443.459 5.215 30 20 IKED C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 746660341 QROYCJOAYBYRAZ-WZONZLPQSA-N 427.504 5.214 30 20 IKED CN(Cc1cccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1)C(=O)OC(C)(C)C 752691745 IVCDSCPRVWUMSV-XZOQPEGZSA-N 448.567 5.357 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC[C@H](O)c1ccc(C#N)cc1 754951609 AJORQFSZWXPGGV-DJJJIMSYSA-N 442.382 5.137 30 20 IKED CCOC(=O)C1C/C(=C/c2cnc(Cl)c(C)c2)C(=O)/C(=C/c2cnc(Cl)c(C)c2)C1 760266569 WGMMADZMJBWJQF-ZZDPWUPLSA-N 445.346 5.409 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 760800136 DAVQCBKPLBNEIW-UHFFFAOYSA-N 444.388 5.062 30 20 IKED CCC(CC)c1cc[n+](/C(C(=S)Nc2cccc(C)c2)=C(/O)c2ccc(C#N)cc2)cc1 762439238 PMYDWLGTBPGHSE-UHFFFAOYSA-O 442.608 6.381 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1sccc1Br 764894903 ROJLEHFEOJVCPP-UHFFFAOYSA-N 430.352 5.140 30 20 IKED C=CC[C@H](N[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21)c1ccncc1 769686630 CTPCRTDXYRFMDP-AOJNWGRGSA-N 435.568 5.192 30 20 IKED Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NC1CCN(c2ccccc2C#N)CC1 769921971 NVLJGHQXQIGYSL-UHFFFAOYSA-N 444.604 5.048 30 20 IKED C[C@H]1CCCN(c2ccc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)cc2[N+](=O)[O-])C1 770123260 BBGZOSLLNVXSPT-XJKSGUPXSA-N 438.484 5.070 30 20 IKED O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1cccnc1SC(F)F 770272180 UWGKDOPPSPHEFE-UHFFFAOYSA-N 438.328 5.179 30 20 IKED C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@H](O)c1c(F)cccc1Cl 770369842 GYMCOISXWSDSTG-PEBXRYMYSA-N 440.927 5.354 30 20 IKED O=C(O[C@H](c1cc(Br)ccc1F)C(F)(F)F)c1ncccc1C(F)(F)F 770749171 ICRYBIWKGDJUSH-GFCCVEGCSA-N 446.116 5.462 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC[C@@H]2c2csc(C)n2)c1=S 774591737 JXQITAITSHEYLE-GOSISDBHSA-N 432.018 5.480 30 20 IKED C[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1ccc(Oc2ccccc2)cc1 775331746 KJIZPWPJGBJXPF-FDDCHVKYSA-N 434.499 5.367 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 780150875 WYVZLWZGQOVDAL-GFCCVEGCSA-N 432.263 5.104 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 780670757 NUUWXKRUHPETFD-RBUKOAKNSA-N 429.520 5.878 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(C#N)cc2F)ccc1OCc1ccc([N+](=O)[O-])cc1 781107442 HONZNXLYABRYOP-YHYXMXQVSA-N 432.407 5.089 30 20 IKED CN(C)c1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)N(C)C2(C#N)CCC2)cc1 781800691 ZFCXWOVHLBIYJM-LVZFUZTISA-N 436.559 5.306 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2cccnc2)n1)c1nc(-c2ccc(Cl)cc2)cs1 783355325 LOCSHNRPAQTIHO-KRWDZBQOSA-N 436.949 5.401 30 20 IKED N#C[C@H](C(=O)CN1CCC[C@@H]1c1ccc(Br)s1)c1nc2ccccc2s1 784525370 DHMVTRKEKLQWKQ-TZMCWYRMSA-N 446.395 5.134 30 20 IKED CC[C@H](NC(=O)[C@H](C#N)C(=O)c1ccc(Sc2ccccc2C#N)cc1)c1ccccc1 787040790 MVUKBGQCFYCLKK-PKTZIBPZSA-N 439.540 5.299 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(COc2ccc(Cl)nc2)CC1 788599306 UNGCEJGUXAXXRP-INIZCTEOSA-N 444.988 5.452 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(OCc2nnc(-c3cccc(C#N)c3)o2)c(Cl)c1 790290457 LQZDUUMYOVVCNL-UHFFFAOYSA-N 426.860 5.188 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 790814993 WFDYFEDGDKRAPZ-GMAHTHKFSA-N 433.552 5.265 30 20 IKED Cc1ccc2c(NCc3ccc(C(=O)N4CCCC4)cc3)c(C#N)cnc2c1Br 795065685 AAQLVLHBRVUUMR-UHFFFAOYSA-N 449.352 5.026 30 20 IKED COCC[C@@H](Cc1cccc(Br)c1)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797571396 OJDRMPLDSVYGMW-RDJZCZTQSA-N 449.414 5.275 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)c1cc2cc(Cl)sc2[nH]1)c1ccc(Cl)cc1Cl 810709421 AHYNXDLWCSJSPW-QPUJVOFHSA-N 440.739 5.389 30 20 IKED N#C[C@H](C(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1)c1cc(C(F)(F)F)ccn1 813212081 WYIAOMVMEBPEDF-RXVVDRJESA-N 430.813 5.750 30 20 IKED C[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(CNc2ccc(C#N)cc2[N+](=O)[O-])cc1 864012410 LUTBFVOGCMPVNW-HNNXBMFYSA-N 442.435 5.032 30 20 IKED N#Cc1ccc(OCc2nc(-c3cccnc3Oc3ccccc3)no2)cc1Br 904453492 KLMZYNISRRQNQN-UHFFFAOYSA-N 449.264 5.137 30 20 IKED N#C[C@H](C(=O)c1ccc(C2SCCS2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 915101899 OACMCOGJQBLMCU-QGZVFWFLSA-N 443.018 6.432 30 20 IKED COc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1Br 915102504 VEYHSEWHTOBTOF-INIZCTEOSA-N 441.350 5.390 30 20 IKED COc1ccc(-c2nc(SCc3ccc(Cl)c4cccnc34)nc(O)c2C#N)cc1 915271735 ZBDPZLAGDXKESV-UHFFFAOYSA-N 434.908 5.223 30 20 IKED Cc1cccc(NC(=O)CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1C 915352895 KJQDCHQQYGKIPR-HSZRJFAPSA-N 426.520 5.061 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 915353172 LSSKOKSHXRBPCO-GGAORHGYSA-N 438.556 6.321 30 20 IKED O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NN=Cc1cc2ccccc2nc1Cl 916240476 CTJHRIUHPUJVFB-UHFFFAOYSA-N 439.737 5.169 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)cc1 916678854 BWCUTWOSHYJLJW-QHCPKHFHSA-N 449.476 6.557 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCc1ncc(-c2ccccc2Cl)o1 916902979 JLNIXYZTDNKUIJ-IBGZPJMESA-N 449.938 5.400 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(F)cc1 916928355 JSQWAYVNKGQBBU-GOSISDBHSA-N 444.293 5.501 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2cccc(F)c2)n1)c1nc2cc(Cl)ccc2s1 917043610 KQOJZFCRQOZNOF-OAHLLOKOSA-N 427.913 5.631 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=S)Nc3ccc4c(c3)OCCO4)cc2Cl)cc1 917600502 WGAKQSMHBPIGNT-UHFFFAOYSA-N 437.908 5.584 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCCCN1C(=O)c1ccccc1 920018847 XIQIAJWEHXBKIG-RUZDIDTESA-N 439.515 5.292 30 20 IKED COc1cc(C)cc2c1OC/C(=C\c1cccc(NC(=O)c3ccccc3Cl)c1)C2=O 920389173 JAWNSUJOERDIDO-SFQUDFHCSA-N 433.891 5.568 30 20 IKED N#CCc1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)cc1 920714368 UWUAPMBKFXONIQ-UHFFFAOYSA-N 438.842 5.133 30 20 IKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cc4ccccc4o3)CCC2)cc1 1786370708 GZJVHOJPGXCMLJ-KQDNUWKFSA-N 444.531 5.171 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccco4)cc3)CCC2)c1Cl 1786913181 JVXGPJUDHIKRIX-VAWYXSNFSA-N 445.906 5.266 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccncc3-c3ccccc3)cc2)CCC1 1789937742 CDDASSKKJHCYTO-UHFFFAOYSA-N 437.543 5.300 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)cc3OC)cc2)CCC1 1790234726 UAVIRGBTXUTLFH-JOCHJYFZSA-N 448.563 5.220 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(-c4cnccn4)c3)CCC2)cc1 1791248819 FOAVXPGMWQFCTF-LJQANCHMSA-N 440.547 5.104 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(Cl)cc3F)CC2)C1 1805451551 LJNVQOXYBHFZRC-UHFFFAOYSA-N 432.967 5.092 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(F)c(F)c2C)[nH]n1 1814829993 LZNOGNFJIGZJMA-HXUWFJFHSA-N 442.510 5.071 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2Cl)[nH]n1 1814830395 WTBRJWFOHFECLW-HXUWFJFHSA-N 426.948 5.137 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)c2cccs2)n[nH]1 1822706537 WUWQNYNOPPMSQI-LMMKCTJWSA-N 426.586 5.035 30 20 IKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1824249028 MQTWBEROJBMDBZ-VWNXMTODSA-N 431.020 5.275 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ccncc23)CC1 1829068874 VDZUADHITAIIDF-VWLOTQADSA-N 447.623 5.461 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CSc2c(C)cccc2C)CC1 1829099712 KFEKHGDSGMLWGW-JTHBVZDNSA-N 442.669 5.227 30 20 IKED Cc1ccccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1829946694 HYWCJHIIZUSVJY-HFZDXXHNSA-N 443.591 5.169 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1ccc(C)cc1C 10168547 WPHGRPPZTJDFDG-UHFFFAOYSA-O 430.018 5.919 30 20 IKED C[C@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)Nc1cccc(C#N)c1 10212627 SUVNIVARUKIBTE-INIZCTEOSA-N 443.507 5.064 30 20 IKED Cc1cc(C)c(Nc2nnc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)s2)c(Cl)c1 16328480 AUSHEKCOGSQUQY-BFUOFWGJSA-N 438.022 5.087 30 20 IKED Cc1nc(-c2ccc(CNC(=O)c3ccccc3Sc3ccccc3C#N)s2)cs1 26283698 CIAVSKBVNPYVKS-UHFFFAOYSA-N 447.610 6.133 30 20 IKED N#Cc1c(F)cccc1N1CCN(C(=O)c2ccccc2SCc2cccs2)CC1 31402212 VOXOFNDMJIMHHK-UHFFFAOYSA-N 437.565 5.014 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 106190522 JZLGNTHNRKRAII-MRXNPFEDSA-N 435.528 5.406 30 20 IKED C[C@]1(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)Cc2ccccc2C(=O)O1 107877735 FRRVWBUEOVUUEO-SQJMNOBHSA-N 430.891 5.106 30 20 IKED COc1cc(CNCc2cccc(C#N)c2)ccc1OCc1cccc(C(F)(F)F)c1 237108454 WJJXODAJDCPYAD-UHFFFAOYSA-N 426.438 5.454 30 20 IKED Cc1nc2ccccc2c(=O)n1N=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 252452498 LWIPQJSHOBYWHE-UHFFFAOYSA-N 445.482 5.186 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)cc1 303110111 NRDQCFUQXLKRIG-UHFFFAOYSA-N 438.556 6.247 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3cccs3)C[C@@H]3CCCO3)cc2)c1 303292598 BJSMXQPAYOQYEA-QFIPXVFZSA-N 433.533 5.625 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 409655091 FDNGIOVRQCEODZ-UHFFFAOYSA-N 449.429 5.247 30 20 IKED C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)o1 409831704 NCCDCEXMKABAFM-SZOBAZRNSA-N 426.516 5.790 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1ccncc1C(F)(F)F 426937234 NYTLTIANHJISPA-UHFFFAOYSA-N 432.242 5.313 30 20 IKED CN1CCC[C@H](CNC(=O)c2cccc(SCC#N)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 430647113 XOUWMFYPVLWBGR-NQIIRXRSSA-N 447.526 5.134 30 20 IKED O=C1CN(Cc2ccc(C(F)(F)F)cc2)C(=O)N1[C@@H](CC(F)(F)F)c1ccc(F)cc1 431010534 PWJDKZBLMLUVOF-INIZCTEOSA-N 448.338 5.302 30 20 IKED COc1ccc([C@@H](CNC(=O)c2cccc(SCC#N)c2)c2c[nH]c3ccccc23)cc1 431168711 JDZZYCCSTLNOHZ-HSZRJFAPSA-N 441.556 5.354 30 20 IKED Cc1c(-c2ccccc2)sc(NC(=O)N(C)CC(C)(C)C#N)c1C(=O)N1CCCCC1 433254416 CBEHEBYXAALCFH-UHFFFAOYSA-N 438.597 5.363 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 436350897 ASYWYCHZHMDBIJ-NHCUHLMSSA-N 435.524 5.082 30 20 IKED COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1cc(C#N)ccc1OC)CCO2 438206208 BYNPBAQGBYJXKD-QHCPKHFHSA-N 443.503 5.133 30 20 IKED C[C@@H](c1ccccn1)N(C)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 438515098 GWGNFTCQPZXOGR-HNNXBMFYSA-N 440.425 5.989 30 20 IKED Cc1cc(CN(C)C(=O)N[C@H](CCC#N)c2ccccc2)cc(C)c1OCC(F)(F)F 438852056 ACIAQQVMBYJOSV-HXUWFJFHSA-N 433.474 5.431 30 20 IKED N#CCC[C@@H](NC(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccccc1 440209449 UWVLFYSDDICSNH-ISKFKSNPSA-N 441.510 5.261 30 20 IKED N#CC1CCC(CNC(=O)Nc2ccnc(Oc3ccccc3Br)c2)CC1 441677373 FMOMULSKYMRADB-UHFFFAOYSA-N 429.318 5.088 30 20 IKED N#CC1CCC(CNC(=O)N(Cc2ccccc2)Cc2ccc(Br)cc2)CC1 442721088 KNFFBSXKLRHXSD-UHFFFAOYSA-N 440.385 5.491 30 20 IKED N#Cc1ccc(NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)cc1C(F)(F)F 443882854 TZPBFBMEFFEFIQ-UHFFFAOYSA-N 435.490 5.161 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1 448356636 UUDLVHXECGWFMW-NTKDMRAZSA-N 427.573 6.412 30 20 IKED C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 460368062 GWTOZPUMIYBFJO-HXUWFJFHSA-N 442.567 5.071 30 20 IKED C=CCC[C@H](NC(=O)N1CCC(c2noc(C3CC3)n2)CC1)c1ccc(C(F)(F)F)cc1 463309120 LEFKBIZJWYSWRJ-IBGZPJMESA-N 448.489 5.562 30 20 IKED COc1ccc(-c2n[nH]cc2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 463395325 VJHKJGKODFWLSO-OAQYLSRUSA-N 442.906 5.646 30 20 IKED N#C[C@@H](NC(=O)c1sc2ccccc2c1Br)c1cccc(C(F)(F)F)c1 464394548 AZAMLWMNFRFCOJ-CYBMUJFWSA-N 439.256 5.677 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)nnn1-c1ccc(-c2ccccc2)cc1 464402577 LWHWHPVBNOIZRI-FQEVSTJZSA-N 447.420 5.147 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1cccc(F)c1)C1CCCC1 465418896 VNCBUQAODSYQME-ZHRRBRCNSA-N 439.556 5.206 30 20 IKED CN(Cc1cc(Br)cn1C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 467554960 RCOGZYINSOSIKN-UHFFFAOYSA-N 439.313 5.115 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C 468573186 CHGLFUJYSRNKCP-VBKZILBWSA-N 445.535 5.201 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@@H]3CCCc4ccc(Br)cc43)ccc21 469311071 ZUFCAQZHWWVGNC-OAQYLSRUSA-N 438.369 5.522 30 20 IKED Cc1cc(C#N)ccc1C(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469748610 LZWHEJFRAJJXSO-SFHVURJKSA-N 442.359 5.118 30 20 IKED CC(C)(C)C[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1 470543845 YQJRQCIQURRLBB-JOCHJYFZSA-N 432.568 5.569 30 20 IKED C[C@@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nc(C(F)(F)F)cs1 470580542 BZFNGAZRBCMZCL-CYBMUJFWSA-N 431.439 5.104 30 20 IKED COc1ccc([C@@H](CNC(=O)C[C@H](CC#N)c2ccccc2)c2c[nH]c3ccccc23)cc1 474425266 HHQHXNKHJDHRDX-WIOPSUGQSA-N 437.543 5.512 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)NC(=O)c1ccc(Br)cc1 476787655 PPXYFGFWPOTBGO-HNNXBMFYSA-N 429.358 5.058 30 20 IKED C=C(C)C[C@H](C)C(=O)Nc1cc2c(cc1Br)CN(C(=O)[C@@H](C)CC(=C)C)C2 480827950 NYUYWDDFHKIEAA-HOTGVXAUSA-N 433.390 5.434 30 20 IKED C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481593479 GBDPUEHINXARJL-HNNXBMFYSA-N 439.437 5.779 30 20 IKED CC(C)n1cc2c(n1)C[C@@H](NC(=O)c1cccc(Oc3cccc(Cl)c3C#N)c1)CC2 481862729 VWZOIMYREPCACB-SFHVURJKSA-N 434.927 5.069 30 20 IKED COCc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)sc2cccc(F)c12 487322858 MUBWHJONAKSRHE-UHFFFAOYSA-N 437.521 5.358 30 20 IKED O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)NC12CCC(C(F)(F)F)(CC1)CC2 488660969 MRMYSLXBFPPNSP-IUDNXUCKSA-N 430.339 5.523 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1SCC(=O)N[C@@H](c1ccccc1)c1cccs1 488800680 OGHGLXIRIAMJJP-SFHVURJKSA-N 433.480 5.031 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COc2ccc(C#N)cc2F)cs1 489093562 VURGSYWEFJYJNR-UHFFFAOYSA-N 435.402 5.436 30 20 IKED C=C(C)Cn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccncc1 489406930 PPPGBXBTLDINTI-MRXNPFEDSA-N 441.988 5.306 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nnc1-c1cccc(Cl)c1 489642435 HIQQRAMRGRBPMN-LBPRGKRZSA-N 429.958 5.749 30 20 IKED N#Cc1cccnc1OC1CCC(NC(=O)Nc2cc(Cl)ccc2C(F)(F)F)CC1 489932430 HJOKOFDGCARCBR-UHFFFAOYSA-N 438.837 5.137 30 20 IKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(-c2cccnc2)cc1 491232923 UXDMSRLPKFSANI-FQEVSTJZSA-N 449.579 6.404 30 20 IKED N#Cc1cccc(-c2cnc(CNC(=O)c3oc4ccccc4c3COc3ccccc3)[nH]2)c1 491880003 KTVUOYJMNSGNNS-UHFFFAOYSA-N 448.482 5.204 30 20 IKED CN(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)[C@@H](c1ccccc1)c1ncc[nH]1 492854920 WMANBIHFIFDWAP-QHCPKHFHSA-N 442.906 5.589 30 20 IKED C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(=O)NCCc1cccs1 495639185 MXVOEFSWMQEGQT-HNNXBMFYSA-N 425.941 5.225 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H](C)NC(=O)c1ccc(Cl)cc1 498492597 TZHGBJSYVAWSNL-KRWDZBQOSA-N 449.913 5.011 30 20 IKED CC(=O)Nc1ccc(-c2noc(-c3cc(F)cc(C(F)(F)F)c3)n2)cc1C(F)(F)F 499601245 TZYRZFDHNWNCHG-UHFFFAOYSA-N 433.283 5.539 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(COCc2ccccc2)c1 500823690 QIIWUGZRISFJPX-UHFFFAOYSA-N 440.996 6.016 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1nc(-c2cc3ccccc3o2)cs1 502021920 ZGRWHSDHLQBVSL-UHFFFAOYSA-N 449.580 5.622 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccccc3Oc3ccccc3)CC2)c1 502677420 DRKVXUVMPUTOBH-UHFFFAOYSA-N 440.503 5.233 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)NCc2ccccc2Cl)cc1 507830898 NXSWSCRIENHWEV-MRXNPFEDSA-N 435.911 5.129 30 20 IKED COc1ccc(OCCCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 510210349 STKHHVUFDSMKNO-UHFFFAOYSA-N 432.545 5.058 30 20 IKED Cc1ccc(CN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c2ccc(F)cc2)o1 511747760 AEZFEZZFKGNUOY-UHFFFAOYSA-N 435.474 5.188 30 20 IKED CCOc1ccc(-n2c(SCc3cccc(C#N)c3F)nnc2-c2ccncc2)cc1 513252040 HLTDIRSDGMNUDT-UHFFFAOYSA-N 431.496 5.031 30 20 IKED COc1cccc([C@H]2C[C@H](C)CN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1 515560100 XDINWYAEXNEPCQ-BXKMTCNYSA-N 428.492 5.369 30 20 IKED N#Cc1c(NC(=O)CCc2ncc(-c3ccccc3)o2)sc2c1-c1ccccc1CC2 515703207 OVUWNCFGEPLDEA-UHFFFAOYSA-N 425.513 5.612 30 20 IKED CCc1nc(C(=O)Nc2ccccc2S[C@H](C)CC#N)nn1-c1ccccc1Cl 517518834 VSSYAQDXYJZNRM-CQSZACIVSA-N 425.945 5.130 30 20 IKED Cc1nccn1-c1ccc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1F 517530183 PMKFVGOKZRHSMH-UHFFFAOYSA-N 441.466 5.306 30 20 IKED CC(C)(C)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1[N+](=O)[O-] 518515453 KIEWVEOSOIZKJW-KRWDZBQOSA-N 430.489 5.378 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)Cc3csc(Cc4ccc(F)cc4)n3)c2C#N)C1 519957007 MLXPJBXHGSBGBX-CYBMUJFWSA-N 425.554 5.112 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1 520940936 AIUWJHHOYAURSN-OAHLLOKOSA-N 433.499 5.953 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)CSc2cccc(C(F)(F)F)c2)CC1 521111878 QVYNVFFXTIUZQX-UHFFFAOYSA-N 434.483 5.176 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 521790076 LTMLKVBRGUWEIH-UHFFFAOYSA-N 427.460 5.029 30 20 IKED C[C@@H](CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1cccnc1 522391648 LFQUSKMIZBLLTE-ZDUSSCGKSA-N 430.455 5.152 30 20 IKED CC(C)OCCCn1c(S[C@@H](C)c2ccc(C#N)cc2)nc2cc(Cl)ccc2c1=O 522822550 DGPZZRBGLKRIBI-INIZCTEOSA-N 441.984 5.590 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(CSC2CCOCC2)c1 523912784 JMKIAHKPHJPLCB-UHFFFAOYSA-N 441.553 5.227 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccn(-c4ccccc4)n3)cc2Cl)c1 524393189 SKHAFEVYDIZDFW-UHFFFAOYSA-N 428.879 5.229 30 20 IKED CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2c(F)cc(C#N)cc2F)cc1 531505179 KNFZLOBXECQHBD-UHFFFAOYSA-N 433.458 5.639 30 20 IKED CC(=O)N1CC[C@@H](NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c2ccccc21 534163093 BUMZFJCSYZMKEV-OAQYLSRUSA-N 445.906 5.232 30 20 IKED COc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1-c1ccccn1 535846216 UPXJVRWLZYXTMJ-UHFFFAOYSA-N 435.483 5.460 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)N[C@@H](C)c1cccc(C#N)c1 537295648 NKKPEPGRJCITSG-KBPBESRZSA-N 426.383 6.165 30 20 IKED CC[C@@H]1CCc2sc(-c3nnc(SCCCC4(C#N)CCOCC4)n3C)cc2C1 539512506 UTMMYEPDKZXOFA-MRXNPFEDSA-N 430.643 5.251 30 20 IKED CCc1nccn1C[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 539537854 AVCBLKQYUWGBFM-FQEVSTJZSA-N 429.524 5.114 30 20 IKED CO[C@@H](C)C(=O)Nc1cccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 543849112 LJPPCUVHINXTFR-MSOLQXFVSA-N 442.519 5.081 30 20 IKED N#CCCn1cc(CN2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c(-c2ccccc2)n1 543997670 ANQAQQIPQPVGNZ-JOCHJYFZSA-N 440.469 5.056 30 20 IKED N#C[C@@H](C(=O)c1cnc2ccccc2c1C(F)(F)F)c1nc2ccccc2n1C(F)F 552841615 TZZGKMIVHKELHX-LBPRGKRZSA-N 430.336 5.488 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NCCCc3c[nH]c4ccc(F)cc34)cc2)ccn1 562108864 LMZHZLFUPCZVTE-UHFFFAOYSA-N 429.455 5.120 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1nc(-c2ccc(SC)cc2)ns1 564131049 LRCLZZITUCWUJX-UHFFFAOYSA-N 442.614 5.315 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2CC#N)cc1NC(=O)c1ccc(Br)cc1 569619966 WZSLSZGSZXSFMN-UHFFFAOYSA-N 448.320 5.328 30 20 IKED CCn1c(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)nnc1N1CCC(C#N)CC1 572258614 SHMPHMQKHLOENU-UHFFFAOYSA-N 442.954 5.574 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)CSc1ccc(C(F)(F)F)cn1 572552337 KFNFMDDMUFGSCQ-UHFFFAOYSA-N 427.451 5.298 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 572966829 JGXKAVBJWSYTAM-TZIWHRDSSA-N 443.469 5.138 30 20 IKED CC(=O)c1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)ccc1C 573068609 VCYSTWBDWRCHDC-UHFFFAOYSA-N 443.450 5.388 30 20 IKED C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H]1c1csc(C)n1 577682690 KXPIHEHXYHKPMR-IFXJQAMLSA-N 429.977 5.364 30 20 IKED N#Cc1ccc(C[C@H](C#N)c2nc(-c3cc(Br)cc(C(F)(F)F)c3)no2)cc1 589138240 IACACDKKCKZANQ-CQSZACIVSA-N 447.214 5.239 30 20 IKED Cc1nc(CSc2ccccc2C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cs1 592974199 OXICHNCWOUBQSK-MRXNPFEDSA-N 439.562 5.983 30 20 IKED CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 595983999 JQMUOHVUQAORBT-IBGZPJMESA-N 428.488 5.278 30 20 IKED Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)Nc3sccc3C#N)c12 603450333 LJPSPTMCNVBBMI-UHFFFAOYSA-N 441.541 5.643 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3SCc3ccco3)cn2)cc1 603765796 ZLXJBILHVSRZFV-UHFFFAOYSA-N 427.485 5.883 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)cc1 603872697 DYXLQPGXPAXWCY-UHFFFAOYSA-N 431.496 5.188 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1 604521176 AOEWSQQWNFBGPC-GGBSJPMNSA-N 433.596 5.038 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(SC2CCCCC2)cc1C 604526236 UJKGFUWUXLOKFB-UHFFFAOYSA-N 437.609 5.972 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c2)cc1 604690996 VQHRQRMNABQVFI-HXUWFJFHSA-N 443.915 5.890 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C 608793575 HRRKSTJPLLEBFP-XMMPIXPASA-N 439.519 5.143 30 20 IKED Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C)n1CC(F)(F)F 609164417 NROVVOHDPCEYFX-FQEVSTJZSA-N 445.872 6.228 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCc4[nH]c5ccc(Cl)cc5c4C3)c2)cc1 609209967 YMBBWLVABIEYGH-UHFFFAOYSA-N 442.906 6.075 30 20 IKED CN(C)CCCOc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 609507863 GEJJPXIFFIZAHX-UHFFFAOYSA-N 431.561 5.292 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1)C(C)C 609725980 SOQZGZRFCXEXSP-UHFFFAOYSA-N 445.494 5.499 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCS[C@H](c3ccccc3)C2)cc1Cl 609807225 HTDFULRSRPXMMF-VWNXMTODSA-N 447.991 6.317 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc(-c3ccccc3)ccc2Cl)c1C 610053842 QWSLYTWAGZBQNC-UHFFFAOYSA-N 426.907 5.934 30 20 IKED CC(C)Oc1ccc(CNC(=O)c2c(Cl)cc(C#N)cc2Cl)c(C(F)(F)F)c1 611093779 CULAUDXUXCQJOT-UHFFFAOYSA-N 431.241 5.601 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2sc3cccc(C)c3c2Cl)c1C#N 614971201 PVVDQSJPDGTPLH-UHFFFAOYSA-N 438.965 5.895 30 20 IKED CC(C)(C)N(Cc1cccc(F)c1)C(=O)CN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618450563 LPGSKPJYSDLEFF-GASCZTMLSA-N 442.419 5.016 30 20 IKED C[C@H](NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(OCC2CC2)c(F)c1 675247982 WEVVROHTUFKDSV-BPNCWPANSA-N 442.375 5.058 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1 726490094 VCELEMKOGPFKGW-UHFFFAOYSA-N 434.908 5.693 30 20 IKED N#CCCCOc1cccc(/C=C(/Cl)c2nc(O)c3cc(-c4ccccc4)sc3n2)c1 726743248 AQUZUAHGLLLUGU-XSFVSMFZSA-N 447.947 6.483 30 20 IKED CC(C)[C@@H](Sc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 727233994 CIIHIXCUGYSAMU-QVKFZJNVSA-N 428.529 6.081 30 20 IKED N#CCOc1ccc(CN[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1 727839146 WTDULJPOJSTEOD-JOCHJYFZSA-N 439.437 5.077 30 20 IKED C[C@@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1ccc2ccccc2c1 728110225 XMDMHPRTUCIISP-QGZVFWFLSA-N 440.455 5.067 30 20 IKED CN(C(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1ccc(C#N)cc1F 729654236 ZOPYAZOFVHZNBM-UHFFFAOYSA-N 433.533 5.876 30 20 IKED C[C@H](OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C(=O)Nc1cc(F)ccc1F 732377508 OUZNFVNFBULROC-HNNXBMFYSA-N 436.414 5.007 30 20 IKED COc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2nccn2Cc2ccccc2)CC3)cc1 734095541 PNTYJWFOBBDMHH-CYVLTUHYSA-N 427.529 5.276 30 20 IKED C=CC[C@H](NC(=O)N(C)Cc1ccc(OCc2ccccc2)c(OC)c1)c1ccncc1 734681346 ZSNFVKCSIHWVFB-QHCPKHFHSA-N 431.536 5.128 30 20 IKED CC(=O)C1=C(c2ccc(C)cc2)N(Cc2cccs2)C(=O)N[C@@H]1c1sc(C)nc1C 736539423 RWWHCRANGUXNQM-FQEVSTJZSA-N 437.590 5.397 30 20 IKED C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 738783384 MWQBFJLHPFNNTM-INIZCTEOSA-N 442.437 5.178 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(OCC3CCCCC3)CC2)cc1 743092965 IWIKKRHMXCOCFP-AREMUKBSSA-N 431.580 5.935 30 20 IKED C#CCCN1CCC(NC(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)CC1 743493551 YXJDDJVOIJDBAM-UHFFFAOYSA-N 447.431 5.503 30 20 IKED COc1ccc(/C=C\C(=O)c2cccc(O[C@@H](C)C(=O)O)c2)cc1OCc1ccccc1 745021904 UMUCZKPLOPUDRC-LVWOJMJRSA-N 432.472 5.022 30 20 IKED C[C@@H](CC(=O)O[C@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1C(F)(F)F 745217159 JEJTVAOYDHFJGN-DLBZAZTESA-N 432.442 5.078 30 20 IKED COc1cc(/C=C\C(=O)N(CCC#N)c2ccc(C)cc2)ccc1OCc1c(C)noc1C 745406247 JVWGAEYUNMNPOP-LCYFTJDESA-N 445.519 5.148 30 20 IKED COc1cc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccncc2)ccc1OC(F)F 747116051 DZSNWHGKTOFLHF-VQHVLOKHSA-N 447.441 5.440 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC2CCN(Cc3cccs3)CC2)cc1 747295712 YNNSVDIZIYSOEM-RUZDIDTESA-N 444.604 5.437 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccc(Br)cc3)n2)cc1 749030766 ZLYIIXUMULDYJA-GOSISDBHSA-N 441.350 5.390 30 20 IKED COc1cc(/C=C/C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(OC)c1OC 750917954 ZLKRNOPXRDUULS-SNAWJCMRSA-N 434.332 5.646 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C/c2ccc3c(c2)nnn3C)C(=O)c2ccccc2)c(Cl)c1 751032195 FOURZGDQHBYYKZ-CPNJWEJPSA-N 444.922 5.144 30 20 IKED C#Cc1cccc(NC(=S)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)c1 752775623 WMERDYXZVRPRAW-UHFFFAOYSA-N 430.920 5.866 30 20 IKED Fc1ccc([C@@H](Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)c2cnccn2)cc1 753724916 LXLYMNCVVFGSPG-GOSISDBHSA-N 445.338 5.777 30 20 IKED C[C@H](ON=Cc1ccccc1Br)c1nnc(-c2ccc(Cl)cc2Cl)o1 757617138 YVWGXUGEGYQYDC-JTQLQIEISA-N 441.112 5.918 30 20 IKED C[C@H](C[C@H](O)c1ccco1)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 759499122 SUVBSOQMYSNOFO-QRWLVFNGSA-N 439.899 5.017 30 20 IKED C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CCO[C@H](c2cccc(C#N)c2)C1 761760715 LFGZNRGJZCEQKX-YJYMSZOUSA-N 429.307 5.050 30 20 IKED Fc1cc(F)c(NN=Cc2c(F)ccc(C3OCCO3)c2Cl)c(Br)c1 761811417 WWDFLUWMNMJHTP-UHFFFAOYSA-N 435.627 5.011 30 20 IKED CC(=NOCC(=O)N[C@@H](c1cccs1)C(C)(C)C)c1nc2ccccc2n1C(F)F 762668256 CSQPNRCLIZYXMX-SFHVURJKSA-N 434.512 5.137 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1 765790969 OSIUMHAAHPFFJM-KRWDZBQOSA-N 431.602 5.447 30 20 IKED CC(C)n1cc2c(n1)[C@@H](NC(=O)N[C@H](C)c1ccc(-c3cccc(C#N)c3)cc1)CCC2 765892143 HQWDCHMGDHDZPL-KOSHJBKYSA-N 427.552 5.440 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)/C=C/c1cccc(Cl)c1 768865106 HGRIXPPKFFXYRU-PKNBQFBNSA-N 425.897 5.120 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N2CC=C(c3ccc(Cl)nc3)CC2)cc1 774322071 PZCBUPLXBYYQRR-UHFFFAOYSA-N 428.923 5.273 30 20 IKED CC(C)(C)OC(=O)N[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)c1ccccc1 777296353 KGBSQZRGYAZLHQ-RBUKOAKNSA-N 448.548 5.037 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccnc(SC(C)(C)C)c1 778863616 NYFHRPOOWIPMGF-HNNXBMFYSA-N 443.594 5.162 30 20 IKED CC[C@H](NC(=O)[C@H](C#N)C(=O)c1coc2c(C)cc(Br)cc12)c1ccccc1 787044126 FLXUPZLFWKWKHN-MJGOQNOKSA-N 439.309 5.094 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc(Cl)nc3C(F)(F)F)c2)c1 789957890 YXHFYSUTVKAVFU-UHFFFAOYSA-N 431.801 5.457 30 20 IKED Cc1nc(SC(F)F)sc1CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 796661704 MFOCBZZJGYJJCX-ZDUSSCGKSA-N 446.529 5.180 30 20 IKED N#CC1(CCCOC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)CCOCC1 800152715 ZKSYPFVEYSBNQX-UHFFFAOYSA-N 425.337 5.374 30 20 IKED C#CCN(Cc1ccccc1)C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 806365679 SXKGVRZMGMLGJN-UHFFFAOYSA-N 442.906 5.743 30 20 IKED COc1cc(C(=O)/C=C\c2ccc(-c3cccc([N+](=O)[O-])c3)s2)cc(OC)c1OC 912773241 COIIWDPQVZPVFS-CLFYSBASSA-N 425.462 5.245 30 20 IKED C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915101030 BDNPDZKQNSPLSQ-PXAZEXFGSA-N 443.937 5.729 30 20 IKED Cc1ccc(N2C(=O)C[C@H](C(=O)[C@H](C#N)c3nc4ccccc4o3)[C@@H]2c2cccs2)cc1 915102619 ARTXQLTUDFWWIS-IUKKYPGJSA-N 441.512 5.168 30 20 IKED Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=Nn1c(S)nnc1C(C)C 916310654 BQKBCBXYTRFZHO-UHFFFAOYSA-N 443.791 5.086 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ncc(Cl)cc2Cl)cs1 916316694 IKHVUNQOILXTIS-UHFFFAOYSA-N 440.743 5.629 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCC(=O)c2ccc3ccccc3c2)cc1 916954493 IIRAGUOMNCRRMQ-UUOWRZLLSA-N 426.516 5.664 30 20 IKED CCc1ccccc1N1C[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1=O 916975671 DFGCXOWOZVSXRC-HKUYNNGSSA-N 449.963 5.255 30 20 IKED Cc1occc1-c1nnc(SCC(=O)O)n1N=Cc1c2ccccc2cc2ccccc12 917030819 MPHIFXRSEKCEFG-UHFFFAOYSA-N 442.500 5.212 30 20 IKED O=C(C[C@H]1SC(=Nc2ccc(C(F)(F)F)cc2)NC1=O)Nc1ccc2ccccc2c1 917637185 ZTEJIOQJZNDZRU-GOSISDBHSA-N 443.450 5.107 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCC#N)c1ccc(NC(=O)Nc2ccccc2)cc1 918576332 SUIZHCYAPAHSPM-QGZVFWFLSA-N 430.533 5.437 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)Cc3cnc(C)s3)CCC2)cc1 1785842356 MWOJEQQYEVYZTC-UHFFFAOYSA-N 425.598 5.121 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)cc3F)CCC2)cc1 1786365449 IJARGBAGYROWJF-UHFFFAOYSA-N 444.934 5.210 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc4sccc4s3)CCC2)cc1 1786678961 MGQKNADIDLGIKM-UHFFFAOYSA-N 442.631 5.630 30 20 IKED CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)CC1 1787601473 KPJLKNBZLULATI-UHFFFAOYSA-N 441.453 5.125 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)cc(F)c4F)CCC3)cc2)c1 1790258228 UDUDLYDHLOIDOG-UHFFFAOYSA-N 449.432 5.037 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cnccc3C(F)(F)F)CCC2)cc1 1791728836 MOSYAPLIVNKHJM-UHFFFAOYSA-N 443.469 5.042 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3[nH]c(C)cc3c2)[nH]n1 1814443954 LEDCJEBXPMDHEW-JOCHJYFZSA-N 447.583 5.498 30 20 IKED CCC[C@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)CC1 1822101659 YXMHUYXATJRXOH-LEDOBFOHSA-N 447.583 5.194 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C(C)=C/c2cccs2)CC1 1828825297 UXISKKOZWBUZKJ-MWDQKLQBSA-N 440.653 5.540 30 20 IKED COc1ccc(C(=O)/C(=C(/S)Nc2c(C)cc(C)cc2Cl)[n+]2cccc(O)c2)cc1 10178950 IHPKTUHJMOADBX-UHFFFAOYSA-O 441.960 5.009 30 20 IKED COc1ccc(-n2c(SCc3ccccc3C#N)nnc2-c2ccccc2OC)cc1 10243239 WIWDDNAVQBTTQO-UHFFFAOYSA-N 428.517 5.115 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)sc1C)=C(/S)Nc1ccc(C(C)C)cc1 11265303 MKGAMLICSUXWLO-UHFFFAOYSA-O 437.654 6.389 30 20 IKED Cc1ccc(-n2c(SCC(=O)Nc3sccc3C#N)nnc2-c2ccccc2F)cc1 15274785 UORXQKDFXCGTRS-UHFFFAOYSA-N 449.536 5.046 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2cc(C)ccc2C)cc1 22729784 ATVPWVWQBNAHDA-UHFFFAOYSA-O 445.652 6.718 30 20 IKED CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H]1c1ccccc1OC 25440109 MXMWCOXLWTWHDJ-RCZVLFRGSA-N 447.579 5.215 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)Cc3csc(-c4ccccc4Cl)n3)n2)cc1 61047533 RONOIEZLVGBWID-UHFFFAOYSA-N 436.949 5.640 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(CN3CCCCCC3)CC2)cc1 63745650 UXAQIZBCNHLRAO-UHFFFAOYSA-N 447.648 5.579 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1 107834268 BKZJPBSTFVCPML-UHFFFAOYSA-N 447.844 5.390 30 20 IKED CC(=O)N(c1nc(/C=C2/CSc3ccccc3C2=O)cs1)c1ccc(F)cc1F 206338626 IYZQFERCCYTIFR-JYRVWZFOSA-N 428.485 5.478 30 20 IKED CC(C)[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1nc(-c2cccnc2)no1 236755505 PWLHOBTVZZDKDF-XMMPIXPASA-N 439.519 5.069 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C)cc(Cl)c1OCCC(C)C 301763614 OCQSKQPGBPSVAT-INIZCTEOSA-N 425.916 5.150 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N[C@H](c2ccccc2)c2nccs2)c1 303174852 HFKXVGQSQPMTRA-HSZRJFAPSA-N 425.513 5.113 30 20 IKED CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 303871373 NAXGDJLISMBYFY-UHFFFAOYSA-N 441.531 5.165 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2nc(C3CC3)no2)cc1)c1nc(-c2c(F)cccc2F)cs1 435461841 YNPIYLMQSJXSFT-OAHLLOKOSA-N 448.454 5.506 30 20 IKED CCN(C(=O)CCCC(=O)Nc1ccccc1C#N)[C@@H](C)Cc1ccccc1C(F)(F)F 435957463 VIKTVIAUWMYUEB-KRWDZBQOSA-N 445.485 5.166 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccccc1COCc1ccccc1 437777339 PLXJWVKQQQQEBQ-RSXGOPAZSA-N 425.532 5.707 30 20 IKED CCCCOC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 437888080 IKPONNUVSYHWGU-UHFFFAOYSA-N 427.932 5.817 30 20 IKED COc1cc([C@H](C)NC(=O)N[C@@H](CCC#N)c2ccccc2)ccc1OCc1ccncc1 438840518 NDMQMTIYGQZSPM-CVDCTZTESA-N 444.535 5.074 30 20 IKED Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 439099032 ITVKIUYRTLZCSX-UHFFFAOYSA-N 443.834 5.834 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@@H](CCC#N)c1ccccc1 439668696 BOFVHFHWERQOGH-UZLBHIALSA-N 439.968 5.778 30 20 IKED C=CCC[C@H](NC(=O)Nc1cc(NC(C)=O)ccc1OC)c1ccc(C(F)(F)F)cc1 442205788 DETIIJDLXQAMMH-SFHVURJKSA-N 435.446 5.501 30 20 IKED CC1CCC(N(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@@H]2CCCO2)CC1 444196915 QOWDMJGYTJHYCD-KOQKOIQBSA-N 429.630 5.079 30 20 IKED C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 460582063 ZQPLCORRYWMOAV-OAQYLSRUSA-N 438.597 5.536 30 20 IKED CC(C)c1ccc([C@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC2)cc1 461589485 AFURPROIGNLXPE-SQJMNOBHSA-N 441.579 5.318 30 20 IKED Cc1nc(-c2cccc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)c2)cs1 463395781 RPXZIWMKBSUNRO-UHFFFAOYSA-N 425.513 5.822 30 20 IKED CCN(C(=O)[C@H](C)c1cccc(C#N)c1)[C@@H]1CCSc2ccc(Br)cc21 463940749 BPONTGYCIJGRIY-AUUYWEPGSA-N 429.383 5.510 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CC[C@H](CSc4ccccc4)C3)cc2)cc1 464322758 CCJVSURHASDFJF-NRFANRHFSA-N 428.557 5.799 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1nnc(-c2ccccc2)s1 467298408 NURJKQVKLLAQGD-OAHLLOKOSA-N 440.619 5.329 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@@H](Cc3cccnc3)c3ccc(Cl)cc3)ccc21 469251013 OMJVNDLEGHQXEH-DEOSSOPVSA-N 444.966 5.714 30 20 IKED C[C@H](CC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(C(F)(F)F)c1 469949924 FOIAUJVEDDCVKV-MRXNPFEDSA-N 443.469 5.421 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2nnc(-c3cc4ccccc4o3)s2)c1 470378123 WMOIBBDRDBLKHJ-UHFFFAOYSA-N 442.456 5.247 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(OCc4ccccc4)cc3)ccc21 470844357 LGSKZEOVPFEJJI-UHFFFAOYSA-N 439.515 5.101 30 20 IKED COCCCC[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccccc1 471117644 WLAFVIHJWMADIF-JOCHJYFZSA-N 434.565 5.285 30 20 IKED CSc1ccccc1CN(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 471201439 FXFFLGUVKQTWCF-UHFFFAOYSA-N 431.561 5.717 30 20 IKED COc1cc(CN(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)ccc1OCc1cccc(C#N)c1 477076914 PQFWFEBIZHMYMB-PSTIOWGYSA-N 448.588 5.076 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)csc1Br 478548613 AUALCJUNIWBTGF-VIFPVBQESA-N 439.306 5.711 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F 479130444 LLZHPIDTIHHYGD-UHFFFAOYSA-N 430.524 5.169 30 20 IKED CCN(Cc1nc(O)c2ccccc2n1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 479522894 DMSSWJQQJWBGEQ-UHFFFAOYSA-N 440.528 5.021 30 20 IKED COc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1Cl 486326190 WEOZOKUIKMVNEF-UHFFFAOYSA-N 437.902 5.271 30 20 IKED Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3S[C@@H](C)CC#N)o2)cc1C 487240222 SBIIPDJBTYICRT-INIZCTEOSA-N 438.578 5.479 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 487675528 RNDBYYGBWSYDJW-ZDUSSCGKSA-N 431.439 5.030 30 20 IKED CCOc1cc(Cl)ccc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 487714787 LIFQNUZCAGYSRH-UHFFFAOYSA-N 430.942 5.006 30 20 IKED C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 487990426 APOAUMWWEBSZSZ-KRWDZBQOSA-N 449.507 5.315 30 20 IKED Cn1c([C@H](NCc2cc(C#N)ccc2Br)c2ccccc2)nc2ccccc21 492821639 ZJQYWZGADMKHSF-JOCHJYFZSA-N 431.337 5.087 30 20 IKED C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)o1 500643045 BCHPPSWJPRWGII-JYTHNSPOSA-N 426.516 5.467 30 20 IKED CN(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1 503434994 SCGYBVNJINWYGU-UHFFFAOYSA-N 448.910 5.136 30 20 IKED Cc1sc2ncnc(SCC(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)c2c1C 505336828 DMBUUBDUPYTOKZ-ZDUSSCGKSA-N 437.377 5.088 30 20 IKED N#C[C@@H](C(=O)Nc1nc2c(s1)CCCC2)c1nc(-c2ccc(Cl)cc2Cl)cs1 505456290 YBSBFWHJESLYEY-LBPRGKRZSA-N 449.388 5.698 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3-c3nc(C(C)C)no3)n2)cc1 505711042 RCNPIXNTNOENKB-LJQANCHMSA-N 444.516 5.482 30 20 IKED CC(C)Cn1ncc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1C1CC1 506977508 OZLRXWBOBRMCQM-UHFFFAOYSA-N 428.536 5.314 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)N[C@H](C)c2ccccc2C)cc1 507813001 PXAIVPINNYPMOC-MOPGFXCFSA-N 429.520 5.345 30 20 IKED C[C@@H]1CCCN(Cc2csc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)n2)C1 508582844 OHCWSQMDUMTGPW-GOSISDBHSA-N 446.576 5.078 30 20 IKED C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(F)(c2ccccc2C(F)(F)F)CC1 508930552 MHPMGDVQKVDUGY-MAUKXSAKSA-N 438.469 5.046 30 20 IKED C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(c2nc3ccccc3s2)CC1 508956127 NBSWGWPQKBTXPJ-UHFFFAOYSA-N 446.536 5.033 30 20 IKED Cc1ccc(CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C(C)C)s1 509213936 XXNDEGNMRYKAMU-UHFFFAOYSA-N 432.549 5.623 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2cccnc2OCC(F)(F)F)cc1 510676118 WHJGOVFUIWUAIA-UHFFFAOYSA-N 442.397 5.008 30 20 IKED CC(C)n1c([C@@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)nc2ccccc21 515015986 KCTQCDNHBWKHCQ-QGZVFWFLSA-N 425.492 5.167 30 20 IKED COc1ccc(-c2cnc(CCC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)o2)cc1 517843945 HBLYBFIHMJMYOI-UHFFFAOYSA-N 439.471 5.585 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3cc(F)ccc3Oc3ccccc3)CC2)c1 517903171 CJOZSDMZBNDHKZ-UHFFFAOYSA-N 431.467 5.565 30 20 IKED C[C@H](Oc1ccc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cn1)c1ccccc1 518320624 RKQHESGSFIHNLS-YWZLYKJASA-N 425.410 5.235 30 20 IKED Cc1nc(-c2ccccc2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 518546194 AHOCKPQHJVGDMX-QGZVFWFLSA-N 435.961 6.386 30 20 IKED Cc1cc(Br)ccc1SCC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 521016138 KRSRMQIALHPPCA-OAHLLOKOSA-N 443.288 5.250 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](Oc2ccc(Cl)cc2)c2ccccc2)cc1 521558486 OXMJCKOHDDXBEF-QFIPXVFZSA-N 435.911 5.406 30 20 IKED CN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@@H]1CCCN(c2ccccc2)C1 522343452 WAFPAHOAVDZPPW-OAQYLSRUSA-N 429.495 5.231 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](C(=O)c4ccc(F)cc4)C3)cc2)cc1 523422662 VDYZWCAMVUAKTL-HXUWFJFHSA-N 443.478 5.616 30 20 IKED CN(CCc1cccc2ccccc12)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 523964530 LZSADQOHNDUFEI-UHFFFAOYSA-N 449.510 5.143 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCO[C@H](c3ccccc3C)C2)cc1 525232157 CBMFITSGUDRNOT-VWLOTQADSA-N 443.503 5.273 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)cc1 531353849 HGCRNDZIWMVMBC-GOSISDBHSA-N 445.466 5.249 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2Cl)CC1 536057420 LYBFZXCKRMVKET-OAHLLOKOSA-N 432.952 5.085 30 20 IKED Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 537146924 NBZJGABGMDXJKO-QHCPKHFHSA-N 429.524 5.840 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H](c3ccccc3)[C@H]3CCOC3)c2)cc1 539028316 ULOUPMIPWBSRIY-OZXSUGGESA-N 441.531 5.231 30 20 IKED C[C@H](NCc1ccccc1C(C)(C)C#N)c1cccc(NC(=O)Cc2ccccc2F)c1 540328039 LJBFWDHUZOSOBM-IBGZPJMESA-N 429.539 5.659 30 20 IKED COc1cc2c(cc1F)CN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)c(F)c1)CC2 540817744 PBIPOOLBABXNSD-UHFFFAOYSA-N 449.457 5.014 30 20 IKED C[C@H](C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1cccnc1 544011463 BEFZQLPUXGUZHS-LKFCYVNXSA-N 444.297 5.643 30 20 IKED Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)c1occc1COc1cccc(C#N)c1 544163594 QYYOXDNRZXAKEZ-UHFFFAOYSA-N 440.459 5.218 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 544310221 ZFPUHAHOCHTEOO-UHFFFAOYSA-N 445.972 5.025 30 20 IKED C[C@@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 560083290 SCUSRGODISPHKR-INIZCTEOSA-N 426.451 5.250 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3coc4ccccc34)cc2Cl)cc1 560282686 YVIZEBACCWUGGZ-UHFFFAOYSA-N 445.862 5.005 30 20 IKED N#C[C@H](NC(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1cccc(C(F)(F)F)c1 577338577 ZIOFHNGVKQFTNV-KRWDZBQOSA-N 433.336 5.166 30 20 IKED C=CCN(C(=O)c1cnn(C)c1C(F)F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 589294342 PUMFSJSNDSVNEZ-UHFFFAOYSA-N 443.306 5.621 30 20 IKED C[C@H](Sc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1sc2c(c1C#N)CCC2 598951944 XAEKMJJGAXLXQC-NSHDSACASA-N 429.954 5.536 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(F)ccc1Br 603600856 GGSFNTQQTWKJNC-UHFFFAOYSA-N 426.245 5.208 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(C)n(CC(F)(F)F)c1C 604358275 NXSBVQFAQPZODB-UHFFFAOYSA-N 427.426 5.892 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cnn(-c4ccccc4Cl)c3)cc2F)c1 609104220 GCUUXYYTYANZPV-UHFFFAOYSA-N 446.869 5.368 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12 609142758 ZKWLIXLUKVNNTP-UHFFFAOYSA-N 444.485 5.383 30 20 IKED CCC(CC)CN(CCC#N)C(=O)c1csc(-c2cc(Br)cs2)n1 609189495 PJOJEXUVTAJPGZ-UHFFFAOYSA-N 426.405 5.426 30 20 IKED COC(=O)c1ccc2c(c1)CN(C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)C2 609317781 CSRXZEBZECVWDL-QFIPXVFZSA-N 445.906 5.330 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CC=C(c4c[nH]c5cc(F)ccc45)CC3)cc2)nc1 609515966 WIFHMKIAIZTGAF-UHFFFAOYSA-N 438.462 5.295 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccnc(N3CCCCC3)n2)cc1Cl 610040202 KOYRMBCHAXTEPZ-FQEVSTJZSA-N 431.927 5.028 30 20 IKED N#C[C@@H](C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)c1nc2cc(Cl)ccc2s1 613407272 OIMRFKBUHVEZPI-NSHDSACASA-N 447.829 5.039 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)nc2sccc2c1=O 613439619 BSHAFCNEJLUSSS-HZPDHXFCSA-N 449.601 5.155 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 618736051 RTWRQKRDEPCNOM-IBGZPJMESA-N 428.344 5.335 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 618741185 BEHSWZCSWJSKDW-HXUWFJFHSA-N 438.281 5.266 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)N[C@@H]1CCc2cc(C#N)ccc21 618807054 SPJDRUNAGWFWBD-RNODOKPDSA-N 438.394 6.091 30 20 IKED N#Cc1cccc(-c2nnc(N3CCS[C@H](c4ccccc4)C3)n2Cc2cccs2)c1 619855131 WWFODDXVRLBJQQ-QFIPXVFZSA-N 443.601 5.221 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCc2c(F)cc(Br)cc2C1 682777437 YBAQXXMVQNKHPJ-UHFFFAOYSA-N 431.349 6.030 30 20 IKED C[C@@H](NC(=S)Nc1ccccc1Oc1ncccc1C#N)c1ccc(Cl)cc1Cl 726462866 MPUWROMTOFTYGX-CYBMUJFWSA-N 443.359 6.100 30 20 IKED COc1ccc(CNC(=O)[C@@H](C#N)C(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)cc1 726732310 UNAHSRIKTFOEOL-IBGZPJMESA-N 438.936 5.024 30 20 IKED N#CCCCOc1cccc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)c1 726802294 ZWNDEHNPKHLOEG-YBFXNURJSA-N 439.949 5.300 30 20 IKED N#C[C@H](C(=O)/C=C\c1cccc(OC2CCCC2)c1)C(=O)Nc1ccc(Cl)cc1Cl 727953985 JWQBZMMQXIFYBO-SCEWNMGZSA-N 443.330 5.676 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1C 728062305 IBMLJVFKCUMBQB-HXUWFJFHSA-N 441.575 6.010 30 20 IKED Cc1cc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)c(C)n1-c1ccc(C#N)cc1 728267997 FWHLLYVVXGKGGQ-GOSISDBHSA-N 440.547 5.233 30 20 IKED N#Cc1ccc(NC(=S)Nc2ccc(OCc3cccc(F)c3)c(F)c2)cc1Cl 728449856 OFFJJFMLBYFDNY-UHFFFAOYSA-N 429.879 5.878 30 20 IKED N#C[C@H](C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1nc2cc(F)ccc2s1 730420831 HHGIAAYJELXIBT-HRCADAONSA-N 433.533 5.971 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2ccc(N3CCc4sccc4C3)cc2)c1 731981583 IHCLFXPSTHRGTQ-UHFFFAOYSA-N 431.561 5.370 30 20 IKED COc1cc(COC(=O)[C@H](SC)c2ccccc2)ccc1OCc1cccc(C#N)c1 740358048 KUHBQWWYNLMMJR-XMMPIXPASA-N 433.529 5.293 30 20 IKED O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)c1cccc(-c2ccncc2)c1 741473911 UTDVVRXYBYYMQL-QXMHVHEDSA-N 428.495 5.892 30 20 IKED O=C(O)COc1ccc(/C=C/C(=O)c2cccc(Cl)c2Cl)cc1Br 742434213 FUAXAHNSEXJTGZ-GQCTYLIASA-N 430.081 5.115 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 743695912 OUINUBPJPKQKCR-UHFFFAOYSA-N 432.867 5.130 30 20 IKED N#Cc1csc(C=C(C(=O)Nc2ccccc2Cl)C(=O)Nc2ccccc2Cl)c1 748439656 ZSCMJCHMWGRHFI-UHFFFAOYSA-N 442.327 5.587 30 20 IKED O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc(N2CCOC2=O)cc1 748583654 IIZGQJLCSONYTQ-SSZFMOIBSA-N 449.510 5.451 30 20 IKED C[C@H](C[C@@H](O)c1cccs1)NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 752256206 HCFOEGWKEJHSJA-RDTXWAMCSA-N 425.485 5.185 30 20 IKED Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1c(C2CC2)nc2sccn12 755551042 DNGVXLFPUGKZFQ-UHFFFAOYSA-N 435.365 5.009 30 20 IKED N#C[C@@H](C(=O)CCc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 756232679 VRZDHEZESZDARF-INIZCTEOSA-N 446.315 5.834 30 20 IKED Cc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(O[C@H]2CCOC2)c1 758535485 MVOVVVBQVPNFGK-DQEYMECFSA-N 441.531 5.140 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)[C@H](C)Cc1ccccc1[N+](=O)[O-] 761266352 FSPIWUVLYFIEFZ-CYBMUJFWSA-N 444.417 5.132 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc3ccccc3cc2OC(F)F)ccc1OC 761702041 GMPCVQHMJFFKMX-SFHVURJKSA-N 440.446 5.061 30 20 IKED C[C@H](Sc1nc2ccccc2s1)C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 762476522 HARPFRWNHSRMDE-ZDUSSCGKSA-N 435.496 5.240 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1c(F)cccc1Sc1ccc(Cl)cc1 765085524 OHOJEWNSHOZTHO-UHFFFAOYSA-N 430.863 5.924 30 20 IKED C=CC[C@H](OC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)c1ccccc1 778739874 TVGVPKULNDWKPE-MOPGFXCFSA-N 447.318 5.059 30 20 IKED CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)Nc1ccccc1O[C@H](C)C#N)OCC3 781034243 BTMGBDTZRHGWED-WGDIFIGCSA-N 431.536 5.228 30 20 IKED Cc1nc(NCC(=O)Nc2ccccc2O[C@H](C)C#N)c2cc(-c3ccccc3)sc2n1 781036634 QDURHEAVVRFEMU-OAHLLOKOSA-N 443.532 5.008 30 20 IKED Sc1nnc(CSc2ccccc2)n1N=Cc1ccc(-n2cnc3ccccc32)cc1 782246095 UFAPPJXAZKXQMH-UHFFFAOYSA-N 442.573 5.080 30 20 IKED C[C@H](NCc1ccc(NC(=O)OC(C)(C)C)nc1)c1ccc(-c2cccc(C#N)c2)cc1 782379813 DECNQVQYSVVAES-SFHVURJKSA-N 428.536 5.818 30 20 IKED C[C@H](NC(=O)Nc1ccc(N2CCOC2=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 782562903 KYNQPBAJGAPEBG-KRWDZBQOSA-N 426.476 5.065 30 20 IKED COc1ccc(C(=O)/C=C\c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])cc1OC 796991653 GCIWQMPNUAIVGC-LUAWRHEFSA-N 449.459 5.096 30 20 IKED N#CC1(CCCOC(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)CCOCC1 800163646 PLRIDLQNQSHREU-OAQYLSRUSA-N 431.504 5.442 30 20 IKED N#CC1(CCCOC(=O)[C@H](Sc2cc(F)ccc2F)c2ccccc2)CCOCC1 800218257 NHYJZKABETVRJH-OAQYLSRUSA-N 431.504 5.442 30 20 IKED C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nnc1SCCO[C@H](C)C#N 801651818 GEXGJMPYYGHWEZ-HVMFNXBNSA-N 444.576 5.014 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H](F)c1ccc(C(F)(F)F)cc1 801661436 PTXMAYYCIZLRLN-WZRBSPASSA-N 439.293 5.742 30 20 IKED C[C@@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(Cl)c2ncccc12)c1ccc(Cl)cc1Cl 802218845 LRVXEHCWXGBAGY-BZNIZROVSA-N 446.721 5.395 30 20 IKED O=C1/C(=C/c2cnc(-c3ccc(Br)cc3)s2)C[C@@H](C(=O)O)c2ccccc21 806563268 UMMUBMOMKYAGIW-FHLIRTJZSA-N 440.318 5.411 30 20 IKED COCCn1c(COc2ccccc2-c2ccccc2)nnc1SCC1(C#N)CCCC1 806580772 QVGFKFNESKRBRZ-UHFFFAOYSA-N 448.592 5.347 30 20 IKED CN(CC(F)(F)Br)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 807866931 RFINQOLHDPPIJQ-UHFFFAOYSA-N 429.648 5.064 30 20 IKED Cc1c(C#N)c(NC(=O)c2cnn(Cc3ccccc3)c2Cl)n(-c2ccccc2)c1C 808243517 AXYIBAAAFBPMCW-UHFFFAOYSA-N 429.911 5.116 30 20 IKED CC(C)(COCC(F)F)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 810531482 JHMBPJHDZNKBOT-GFCCVEGCSA-N 433.307 5.601 30 20 IKED N#C[C@@H](C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1cc(C(F)(F)F)ccn1 813212364 BRAOPNIHDFMJAD-TZIWHRDSSA-N 436.389 5.045 30 20 IKED C[C@H](NC(=O)c1ccccc1Oc1ccccc1C#N)c1ccc(N2CCCOC2=O)cc1 817291182 IRVKQPSGQGUSNL-SFHVURJKSA-N 441.487 5.188 30 20 IKED C=CCn1c(SC[C@H](O)c2ccc(F)cc2)nc2scc(-c3cccs3)c2c1=O 819954211 MBCRNIAMPLIOJD-INIZCTEOSA-N 444.578 5.337 30 20 IKED C=CCn1c(SC[C@H](O)c2ccc(F)cc2)nc2scc(-c3ccccc3)c2c1=O 819965113 STRITWNIXRPIIO-IBGZPJMESA-N 438.549 5.276 30 20 IKED CC(C)(C)OC(=O)N[C@H](CCCC#N)c1nc(-c2ccc(Oc3ccccc3)nc2)no1 904447350 RDGXFKHQNPETFB-GOSISDBHSA-N 435.484 5.184 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1 915834493 SHPUHZQYSQKTTF-UHFFFAOYSA-N 435.936 5.336 30 20 IKED Brc1ccc(OCc2ccccn2)c(C=NNc2nccc3sccc23)c1 915980239 QSLHXHOUSFVDDH-UHFFFAOYSA-N 439.338 5.479 30 20 IKED C=CCN1C(=S)N[C@H](c2ccsc2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 916168240 ZCTBSCNYPBIHRB-QGZVFWFLSA-N 437.512 5.097 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc2c(c1)Cc1ccccc1-2 916888722 XEEQMIUGCWNFFU-NRFANRHFSA-N 434.467 5.534 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)cc1 916955747 UEXYLRZGTLJIGL-QRQCRPRQSA-N 448.954 5.617 30 20 IKED COc1ccc(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2ccccc12 917737347 AEWGDWAEXGJKBB-QHCPKHFHSA-N 428.513 5.305 30 20 IKED Cc1cc(Br)ccc1SCC(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 920265324 MYVOQNPJOLAMGH-HNNXBMFYSA-N 444.379 5.245 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 920269442 VSXKASADZZUMCL-FQEVSTJZSA-N 447.951 5.080 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cn4ccccc4n3)cc2)CCC1 1788919995 XXADJZBXQWPCOQ-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(Cl)cc4c3)cc2)CCC1 1790870738 VOIAOQLSYZWXCJ-UHFFFAOYSA-N 445.950 5.439 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc4ccsc4[nH]3)cc2)CCC1 1790876792 HLMWTSUTPIRGPI-UHFFFAOYSA-N 429.492 5.189 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCCSC4)CCC3)cc2)c1 1792124298 RTHSHZYETRUNCV-RXVVDRJESA-N 447.604 5.205 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1cccc(C(F)(F)F)c1)C2 1798590777 KRSIJWQCPLRPBY-IKNLRRFCSA-N 448.529 5.349 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)s2)[C@@H]1c1cccnc1 1810494624 FRABHYNWKLQKHP-YLJYHZDGSA-N 446.016 5.109 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2C2CC2)[C@H]1c1cccnc1 1810501352 BXRUBPKKWWOALO-DHLKQENFSA-N 445.607 5.271 30 20 IKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC(C)(C)C)n[nH]1)c1ccccc1 1816761557 LXPYTFUPZNQEKL-RBBKRZOGSA-N 434.584 5.035 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccnc3ccccc23)[nH]n1 1819305079 CBPGTVJAFMOHMT-MBSDFSHPSA-N 443.551 5.032 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)c2cccs2)[nH]n1 1819309546 CWGHFICUXMVXSZ-ZHALLVOQSA-N 426.586 5.035 30 20 IKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](c2ccccc2)C(C)C)[nH]n1 1821983438 AIIPMPVJJOYXLW-CTNGQTDRSA-N 444.526 5.053 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cccc(F)c3s2)CC1 1831369614 GJPPUZQTJIVEAS-DYESRHJHSA-N 442.600 5.486 30 20 IKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C)c2Cl)CC1)C(F)(F)F 1831455476 SLMKSJIUUVXRNJ-GOSISDBHSA-N 442.909 5.000 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2cc(C)c(C)cc2C)[n+]2ccccc2CC)cc1 10173497 QQIOQJYSJGELEJ-UHFFFAOYSA-O 431.625 6.075 30 20 IKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)CCc1ccc(C#N)cc1 10758904 TTYPALUUZPADMQ-UHFFFAOYSA-N 434.561 5.189 30 20 IKED Cc1cc(C)nc(Sc2ccc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)cc2)n1 11287633 MKVDMXULRJKVHU-UHFFFAOYSA-N 429.505 5.061 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2)c2ccccc2)nc2sccc2c1=O 12723887 HXRVXGJYVJIJLI-IBGZPJMESA-N 433.558 5.116 30 20 IKED CC(C)Oc1ccc(CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 25885599 SJRYMBOSGRBFMI-UHFFFAOYSA-N 430.573 5.610 30 20 IKED C[C@H](NC(=O)CSc1ncnc2scc(-c3ccccc3)c12)c1ccc(C#N)cc1 26110774 CPRQCWDKWVGWIO-HNNXBMFYSA-N 430.558 5.199 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C(=O)Nc2ccccc2Cl)C(C)C)n1 32327792 QCEJVOSYDSCOLJ-INIZCTEOSA-N 427.879 5.689 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CSc2ccc(C(F)(F)F)cn2)cc1 38641903 JVUCZMYJBSQXRQ-IBGZPJMESA-N 427.451 5.487 30 20 IKED Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cccc(OCc4ccccc4C#N)c3)[nH]c2c1 61228700 NYKNPJWPKMCDJC-VWLOTQADSA-N 436.515 5.299 30 20 IKED N#CCCN(Cc1cccnc1)C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12 72053620 RBEKOMPPJCHKPL-UHFFFAOYSA-N 426.495 5.244 30 20 IKED Cc1cc(CN2CCSCC2)ccc1NC(=O)c1ccccc1-c1ccccc1C#N 72058263 NVPCHCBNHWNUJR-UHFFFAOYSA-N 427.573 5.335 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 115762423 GQVRHQQMIJBTHA-UHFFFAOYSA-N 447.495 5.046 30 20 IKED Cc1nc(SCC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c(C#N)c(C)c1C 247997393 AOLFDINPPCIUGJ-UHFFFAOYSA-N 448.573 5.157 30 20 IKED Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)cc2)n1 303222529 VFBBLXCLOMUXTR-UHFFFAOYSA-N 436.515 5.251 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)c1 303538877 HLWUVQJGUJHHNV-QHCPKHFHSA-N 442.515 5.337 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C[C@H]3OCCc4ccccc43)cc2Cl)c1 303579747 DHZNIIKJFKWJCK-XMMPIXPASA-N 432.907 5.433 30 20 IKED CC(C)n1c(CCNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)nc2ccccc21 303771748 MZNHFPSTCXASRM-UHFFFAOYSA-N 438.531 5.040 30 20 IKED C=CCC(C)(C)CNC(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1 432769156 ZXSRIDYTEFBVPR-MRXNPFEDSA-N 431.968 5.077 30 20 IKED Cc1cccn2cc(-c3ccc(NCc4cn(CCC#N)nc4-c4ccncc4)cc3)nc12 433322587 RCUDQTLXNHEPBN-UHFFFAOYSA-N 433.519 5.094 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1 433796634 OJMUJYMKWINJIF-UHFFFAOYSA-N 431.443 5.172 30 20 IKED Cc1cccc2nc(C3CCN(C(=O)NCC#Cc4cccc(C(F)(F)F)c4)CC3)oc12 435858334 OECIFPVHTZMNAS-UHFFFAOYSA-N 441.453 5.096 30 20 IKED CC[C@H](C#N)Sc1nc2scc(-c3ccccc3Cl)c2c(=O)n1CCCOC 436048064 DTUOAEAEYSFDLS-CYBMUJFWSA-N 433.986 5.209 30 20 IKED C[C@H]1CCC[C@H](OCc2cccc(NC(=O)C(=O)Nc3cccc(OCCCC#N)c3)c2)C1 437045190 NXPZKGFIJYBNOS-CVDCTZTESA-N 449.551 5.042 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 437685541 GYIDQGJBXSWABV-BJKOFHAPSA-N 439.519 5.634 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H](CSc2ccccc2)C1 437822326 OJENYRLTIRJGRU-NRFANRHFSA-N 443.572 6.305 30 20 IKED Cc1cc(CN(C)C(=O)N[C@@H](CCC#N)c2ccccc2)cc(C)c1OCC(F)(F)F 438852054 ACIAQQVMBYJOSV-FQEVSTJZSA-N 433.474 5.431 30 20 IKED COC(=O)c1ccc(C)c(NC(=O)[C@H](C)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 439672528 LJKPCHVFIHWBMT-INIZCTEOSA-N 447.466 5.024 30 20 IKED CCCc1c(NC(=O)c2cn(CCCC#N)c3ccccc23)cnn1-c1cc(C)ccn1 444264015 HGWJFKFGHZCURK-UHFFFAOYSA-N 426.524 5.039 30 20 IKED O=C(Nc1cc(C(F)(F)F)cnc1O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F 445240845 ORJIKSKBMAOZQH-LLVKDONJSA-N 431.695 5.024 30 20 IKED CCOC(=O)[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c2ccccc21 446243755 KBSDIDHIIPSULH-XMMPIXPASA-N 440.499 5.242 30 20 IKED C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H]1c1ccc(COC)o1 460582062 ZQPLCORRYWMOAV-NRFANRHFSA-N 438.597 5.536 30 20 IKED CC(C)OC(=O)C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 463948332 GULJCTQIVLZQTN-KRWDZBQOSA-N 439.487 5.075 30 20 IKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)c12 464410738 JLPGXKGXLGZBAT-CQSZACIVSA-N 440.381 5.510 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cc3c(cc2Br)CCC3)c1 468150080 QBALTPPCUAGUBK-UHFFFAOYSA-N 437.293 5.234 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 469164650 ZVHXTZKVUUECAT-VWLOTQADSA-N 431.923 5.226 30 20 IKED CC(C)c1oc([C@@H]2CCCN2S(=O)(=O)Cc2cccc(C#N)c2)nc1-c1ccccc1 470769400 NDVMADBHTLYXNN-NRFANRHFSA-N 435.549 5.004 30 20 IKED C=CCN(C(=O)c1cc(NC(C)=O)cc(C(F)(F)F)c1)c1nc(-c2ccccc2)cs1 471106936 MMUWJYRYXCCHPD-UHFFFAOYSA-N 445.466 5.620 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(OCc4ccccn4)c(F)c3)o2)cc1 471563670 RFGWEUAIZWHUNU-UHFFFAOYSA-N 443.434 5.096 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)CC2)cc1 473445781 WGTCUZUAEAVYLD-UHFFFAOYSA-N 439.540 5.265 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)s1 476149102 NHJGNHUYLQJWSK-UHFFFAOYSA-N 434.561 6.113 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)nnc1-c1ccccc1C 481347033 UYOJTFXEAUXUBG-HNNXBMFYSA-N 444.507 5.160 30 20 IKED Cc1ccccc1OCCN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481630723 UPBVAAVBGVWZNW-UHFFFAOYSA-N 433.483 5.128 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCc3nccc4ccccc34)cc2F)c1 481633768 ZMIGSOMQMUGDLC-UHFFFAOYSA-N 426.451 5.146 30 20 IKED N#CCC[C@H](NC(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccccc1 482427554 XGSKEFCNCVKKRH-RDJZCZTQSA-N 427.373 5.236 30 20 IKED O=C(Nc1c(F)cc(F)cc1-c1ccccc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 483666453 CQMYXUPLDSSVOH-UHFFFAOYSA-N 438.318 5.980 30 20 IKED CC(C)c1c(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cnn1-c1ccc(Cl)cc1 485191082 HVVAMFKRIMUDQN-QFIPXVFZSA-N 449.942 5.126 30 20 IKED C=CCSc1ccccc1C(=O)N[C@@H](CCC)C(=O)Nc1cccc(N2CCCC2)c1 486245039 VVDNQQHLXNDIDW-QFIPXVFZSA-N 437.609 5.102 30 20 IKED N#Cc1ccc(NC(=O)N2CCCC[C@H]2c2nc3ccccc3o2)cc1Br 487851969 FZAUQYKMXSHRAZ-KRWDZBQOSA-N 425.286 5.221 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(COC4CCOCC4)c3)n2)cc1 487912628 NRSZZTBEOXMPCQ-QFIPXVFZSA-N 432.545 5.304 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1C 493343577 DQKRZCSFRPCKSX-QGZVFWFLSA-N 440.469 5.590 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2ccc(Oc3ccnc4ccccc34)cc2)cc1 499246476 CQIBDDNYIXPCLZ-UHFFFAOYSA-N 425.513 5.771 30 20 IKED COc1cc(CNC(=O)c2ccccc2-c2ccccc2C#N)ccc1OCC(F)(F)F 500742072 HFKXCWLTODBTDG-UHFFFAOYSA-N 440.421 5.105 30 20 IKED C[C@@H](c1ccc(Cl)cc1)N(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C1CC1 507142354 IDWWODUGYZXNOU-INIZCTEOSA-N 425.935 5.319 30 20 IKED C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 508512735 ZWDRXHLVWBTSAS-HXUWFJFHSA-N 444.963 5.127 30 20 IKED C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCC(c2ncc(C)s2)CC1 508745257 GBLQHVRFMUHPCR-UHFFFAOYSA-N 425.627 5.214 30 20 IKED CCCNC(=O)Nc1ccc(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 511747371 ZMWJXPFHUNMMES-UHFFFAOYSA-N 428.492 5.063 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 517343651 MBOYUCQZEQDKFB-IBGZPJMESA-N 447.753 5.373 30 20 IKED COc1cc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1OC1CCCC1 517474776 VLMZJCQDTBQXHV-KRWDZBQOSA-N 439.581 5.590 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](c1ccccc1)c1ccc2ccccc2c1 517605771 ZHEBJTKLUXNGOE-NDEPHWFRSA-N 436.559 5.405 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(-c4cn5ccccc5n4)cc3)cc2)nc1 518372071 AOKGEBSXDPRZPN-UHFFFAOYSA-N 431.455 5.313 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(F)cc1Br 518668439 CKMBIFCUFNTFTA-QWHCGFSZSA-N 437.334 5.246 30 20 IKED N#C[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1ccc(Cl)c(Cl)c1 520271810 KRUBFCOUSISAKW-CYBMUJFWSA-N 442.780 5.755 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccccc3OC[C@@H]3CCCCO3)cc2)cc1 521092172 LJXFOXFUFNXNRT-DEOSSOPVSA-N 442.515 5.745 30 20 IKED C=CCn1c(S[C@H]2CCCN(c3ccc(F)cc3C)C2=O)nnc1-c1ccc(F)cc1 522684553 NAUJJFOEYHCMSK-FQEVSTJZSA-N 440.519 5.005 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 523642385 PAIPUSUCJHLKAH-XMMPIXPASA-N 443.503 5.483 30 20 IKED CC(C)NC(=O)c1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 523959263 WOAPTVHGMCGKRP-UHFFFAOYSA-N 433.895 5.394 30 20 IKED COc1ccc2oc([C@H](C)NC(=O)c3ccc(COc4ccccc4C#N)o3)c(C)c2c1 524670112 CIXICOUNVPAFOF-INIZCTEOSA-N 430.460 5.285 30 20 IKED C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 524811055 WADXGFFFRCSGLU-UHFFFAOYSA-N 435.499 5.310 30 20 IKED CN1CCC[C@@H](CNC(=O)c2cccc(OCc3ccccc3C#N)c2)[C@H]1c1cccs1 525039042 CXZJAJWKPSXWAF-OFVILXPXSA-N 445.588 5.012 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 535305072 UWMCGDCNUQKPNG-UHFFFAOYSA-N 428.448 5.157 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CNC(C)(C)c1ccccc1Br 537126032 UKFUOPTXHZWORP-OAHLLOKOSA-N 446.414 5.307 30 20 IKED C[C@@H](N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 539229068 KFUAYNIZBMYQSC-IAGOWNOFSA-N 446.938 5.142 30 20 IKED O=C(CN[C@@H](CC(F)(F)F)c1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl 540381656 ZIONRGGYSGSZFG-HNNXBMFYSA-N 442.762 5.720 30 20 IKED CC[C@H](NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nnc2n1CCCCC2 542077972 LFOPZOPADMYFHR-JPYJTQIMSA-N 442.567 5.055 30 20 IKED Cc1nnc(-c2ccc(C(=O)[C@@H](C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)cc2)o1 542650320 VHBOTIMCSFZRKN-XVPJOVGPSA-N 444.560 5.459 30 20 IKED C[C@H](NC(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(-c2cccc(C#N)c2)cc1 543016549 FLNZHWYTJSPIHA-ROUUACIJSA-N 438.531 5.231 30 20 IKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1c(F)ccc(F)c1F 547988200 ZIZFURDTRIQUSQ-UHFFFAOYSA-N 447.253 5.238 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)[C@@H]1OCCc2sccc21 550226297 FTEVDQPBPGELLS-OSPHWJPCSA-N 432.545 5.396 30 20 IKED N#Cc1ccc(NC2CC2)c(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)c1 552245507 ANCBNFKOOIRFIX-UHFFFAOYSA-N 441.516 5.067 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1Cl 554401070 KNTWACOIUZNBHD-YLNGPTICSA-N 435.955 5.201 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 555241876 AAZOJVWKLYWZLI-XGHQBKJUSA-N 442.560 5.161 30 20 IKED Cn1c(Cc2cccs2)nc2cc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)ccc21 557566296 XNOKVOQXLDCYJO-GMAHTHKFSA-N 440.572 5.138 30 20 IKED C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(Br)cc1F 566389769 JYBDEASHDPEVMP-ZDUSSCGKSA-N 443.272 5.123 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCCC[C@H]3c3nnc(C4CCC4)o3)cc2)cc1 572798277 ZXNRCXVSLPDZFP-QFIPXVFZSA-N 443.507 5.760 30 20 IKED N#Cc1cccc(-c2nnc(N3CCC(OC4CCCCC4)CC3)n2Cc2ccccc2)c1 575765244 IGWRYHWKTMZNNF-UHFFFAOYSA-N 441.579 5.183 30 20 IKED CN1CC[C@@H](CNCc2ccc(C#N)cc2C(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 578404084 DIMKHPYUHDQLPG-JXFKEZNVSA-N 425.857 5.152 30 20 IKED N#Cc1ccc(C[C@H](C#N)c2nc(-c3cccc4c(Br)cccc34)no2)cc1 579760572 MZBCPAJEBFQMDQ-MRXNPFEDSA-N 429.277 5.374 30 20 IKED CSc1ccc([C@H](CNC(=O)CCCCCC#N)N2CCc3sccc3C2)cc1 588151666 GHBAUJMOWKLIPS-NRFANRHFSA-N 427.639 5.160 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c1C#N 590954626 BEBKXGJTUFFMIL-UHFFFAOYSA-N 435.578 5.015 30 20 IKED C=CCn1c(SCC(=O)c2ccc(OCc3ccccc3)cc2)nnc1-c1ccncc1 592990782 MBTRAVKLVWSEGS-UHFFFAOYSA-N 442.544 5.080 30 20 IKED Cn1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)c(-c2ccc(C#N)cc2)n1 602761568 UHHGSIRJDONRNK-XMMPIXPASA-N 439.906 5.383 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1[N+](=O)[O-] 603838587 VFYAIRWMTCHYCH-AWEZNQCLSA-N 432.288 5.824 30 20 IKED C[C@H]1CCCCN1Cc1ccccc1CNC(=O)c1ccc(COc2ccccc2C#N)o1 603899612 LIBVSESBWQPMPG-FQEVSTJZSA-N 443.547 5.035 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1sc2c(c1C#N)CCC2 603946639 PEQVDLXBLYWEKO-UHFFFAOYSA-N 441.965 5.636 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C 608920192 CGVQYGVXYGCXMK-VWLOTQADSA-N 437.547 5.155 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCc3cnn(-c4ccccc4)c3)cc2F)c1 609103972 LSTIFALBNCVQQB-UHFFFAOYSA-N 440.478 5.033 30 20 IKED Cc1cc(CSc2ncccc2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)no1 609176619 PWFBFFMOOJWOPF-UHFFFAOYSA-N 442.500 5.587 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCCCc1cccc(Br)c1 609434666 HMERVDNZPXAKJV-OAHLLOKOSA-N 432.387 5.598 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccc2)cc1 609434942 DPMLZHCEOXTZHS-KOSHJBKYSA-N 431.561 6.001 30 20 IKED CCCOc1ccc([C@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC 609436139 GWNZMQQZFCRLJQ-IRXDYDNUSA-N 427.570 5.761 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(-c4cn5cccnc5n4)cc3)c2)cc1 609642486 YUOABLXPUIWIFQ-UHFFFAOYSA-N 445.482 5.099 30 20 IKED COc1ccc(Br)cc1[C@H]1CCCN1c1nc(C(F)(F)F)ccc1C#N 609669998 IRCHNUDSTDQXKY-CQSZACIVSA-N 426.236 5.085 30 20 IKED CC(=O)Nc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1Cl 609722816 JUJUSDPVJVEBKT-UHFFFAOYSA-N 440.286 5.868 30 20 IKED CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1 610174012 BPPRJAUUZVYJOS-UHFFFAOYSA-N 441.531 5.004 30 20 IKED CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1 610290693 WONZVLWZAUTEHZ-UHFFFAOYSA-N 432.455 5.122 30 20 IKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@H](OCC(F)(F)F)C1 612979188 HZPNYKYAFUCTEP-LBPRGKRZSA-N 438.290 5.299 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cnn1-c1ccc(Cl)cc1 613403812 VKDYYHLGHYULHJ-HNNXBMFYSA-N 427.316 5.587 30 20 IKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)[C@H](C#N)c2nc3ccccc3o2)cc1 614439887 VVKFTFYSPNJTSA-IBGZPJMESA-N 441.512 5.357 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(-n2ncc(C(=O)OCC)c2C)cc1 616167510 PZNHKMFJRSVMML-UHFFFAOYSA-N 431.536 5.462 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCCCC(=O)c3ccccc3)c2)c1 617127279 IIZSBERRVKCAHO-UHFFFAOYSA-N 425.488 5.192 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(-c4ccccc4Cl)s3)n2)cc1 622978243 KQZDLLZRINDBPS-MRXNPFEDSA-N 446.944 5.949 30 20 IKED O=C(NCc1ccc(COC2CCOCC2)cc1)Nc1cccc(C#Cc2cccs2)c1 676924858 QTPRVQKLMQYIEY-UHFFFAOYSA-N 446.572 5.165 30 20 IKED N#C[C@@H](C(=O)c1cc(OC(F)F)cc(OC(F)F)c1)c1nc2cc(F)ccc2s1 678922591 RAXVEWFRBBFLEN-LBPRGKRZSA-N 428.338 5.128 30 20 IKED FC(F)(F)COc1ccc(OCC(F)(F)F)c(-c2nc([C@H]3CCC(F)(F)C3)no2)c1 685382487 IFDQORIRRXIODK-VIFPVBQESA-N 446.294 5.522 30 20 IKED C=CCn1c(-c2ccco2)nn(CN2CCC(c3c(C)[nH]c4ccccc34)CC2)c1=S 725771770 YUSDCWUMCGWOQV-UHFFFAOYSA-N 433.581 5.487 30 20 IKED CCOCCCn1c(NN=C(C)c2cc3cc(Cl)ccc3o2)nc2ccccc2c1=O 725843192 APNNHKFMXAVRBD-UHFFFAOYSA-N 438.915 5.059 30 20 IKED CCn1c([C@@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nc2ccccc21 726074478 PWSJLBBIXJBQSC-BVAGGSTKSA-N 449.558 6.081 30 20 IKED CC(C)(C)c1nc(CC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cs1 726858846 VTCIREIBDGFBKP-GOSISDBHSA-N 433.533 5.123 30 20 IKED CC(=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1[nH]c(-c2ccccc2)nc1C 727058581 RWJPPOWDULZNGX-UHFFFAOYSA-N 445.548 5.022 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(O[C@H](C)C#N)cc1 727684857 ZXEPJQUKYRFQKO-CQSZACIVSA-N 448.935 5.260 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(C4SCCS4)cc3)cc2)c1 728005519 MYWDAKCFNAHFIL-UHFFFAOYSA-N 432.570 5.868 30 20 IKED CCCCC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccccc1 728146123 SUUGBKKHWHBHEZ-HSZRJFAPSA-N 442.519 5.122 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2F)c1 728185708 GJPUVFGSLQVNPK-UHFFFAOYSA-N 425.803 5.090 30 20 IKED Cc1cc(C)c(-c2nnc(SCC(=O)N(CCC#N)c3ccc(C)c(C)c3)o2)c(C)c1 728442413 UQZZAOCPDHQZPD-UHFFFAOYSA-N 434.565 5.318 30 20 IKED Cc1ccc(-c2nc(NC(=O)c3occc3COc3cccc(C#N)c3)sc2C)s1 728837515 NLHRXABJMWHJBY-UHFFFAOYSA-N 435.530 5.784 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1COc1cccc(C=O)c1 731639257 QXPMUDIABHZVHU-GOSISDBHSA-N 430.529 5.582 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Oc3cccc(NC(=O)c4ccccc4)c3)cc2)nc1 731974878 ILUVFHFYFUVINA-UHFFFAOYSA-N 435.439 5.217 30 20 IKED CC(C)COC(=O)Nc1cccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1 731980506 QIYSAMYEFQLZFJ-UHFFFAOYSA-N 430.464 5.202 30 20 IKED C#CCN(C(=S)Nc1ccc(CC)cc1)[C@H]1CCOc2ccc(Br)cc21 733087506 SRWLARHQIKCSGM-IBGZPJMESA-N 429.383 5.167 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2cc(Cl)nc(Cl)c2)cc1C 733466436 IBKDJEZQLKZUJQ-UHFFFAOYSA-N 429.307 5.139 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)CSc2cc(C)c(Br)cc2C)c1 733771670 QSTUSNOZKRHYAA-KRWDZBQOSA-N 447.398 5.155 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nc2ccccc2s1 734142517 TVUJIDUJLZNHCY-MRXNPFEDSA-N 429.570 5.951 30 20 IKED Cc1sc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c(C(N)=O)c1C 735007946 RIKATIYVPSEXGM-UHFFFAOYSA-N 425.897 5.034 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=S)Nc2ccc(OC(F)F)c(Cl)c2)cc1 735622144 BIKVNHKZRNGXIC-UHFFFAOYSA-N 449.832 5.574 30 20 IKED N#Cc1ccc(OC2CCN(C(=S)Nc3ccc(OC(F)F)c(Cl)c3)CC2)cc1 735626748 BXWQAULMHGXPEO-UHFFFAOYSA-N 437.899 5.053 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=S)Nc1ccc(C#N)c(Cl)c1 737461961 WMWNWTVIKDOTBG-UHFFFAOYSA-N 449.942 6.022 30 20 IKED Cc1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1C(=O)NC(C)C 740453164 ABENIEDGLXMAMD-UHFFFAOYSA-N 432.549 5.055 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl 740782005 QWRSWYMPNCDQMC-UHFFFAOYSA-N 429.904 5.598 30 20 IKED CC(C)=CCSc1ccccc1C(=O)OCC(=O)Nc1ccccc1SCC#N 741372130 WZBANMOMLVKQBW-UHFFFAOYSA-N 426.563 5.156 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)/C=C(\C)c2ccccc2C(F)(F)F)ccc1OC 741929199 KLGFMOOIBQDHLC-JMPLCFMRSA-N 432.442 5.115 30 20 IKED Cc1csc(SCc2c(C(=O)NCCOc3ccc(C#N)cc3)oc3ccccc23)n1 741972303 RNISRRCPGZVJPQ-UHFFFAOYSA-N 449.557 5.171 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)c1 743215021 QQBZGBWHVAOEEV-NRFANRHFSA-N 430.508 5.493 30 20 IKED CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2ccc(C#N)o2)NC(=O)N1c1ccc(C)c(F)c1 743742339 POVVHGAWRDYOCY-QHCPKHFHSA-N 444.466 5.091 30 20 IKED N#C[C@H](C(=O)CCCOc1cccnc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 744035503 OBMUPEYCWZPDMS-MRXNPFEDSA-N 432.332 5.547 30 20 IKED C[C@H](OC(=O)CCCCOc1cccc(C#N)c1)c1nc(-c2ccc(Cl)cc2)no1 746077633 VMOIMWGOQWGXCL-HNNXBMFYSA-N 425.872 5.115 30 20 IKED CCCCCCNC(=O)[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 748443182 LGOSZMDRQJQRML-NRFANRHFSA-N 448.567 5.291 30 20 IKED COc1cc(OC)c(C(=O)/C=C/c2ccc(OCC(F)(F)F)c(OC)c2)cc1Cl 750900170 KGVYPQCREKUSJR-GQCTYLIASA-N 430.806 5.203 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCCCC[C@H]2C[C@H](O)c2ccco2)cc1 752102702 RAOLIRFOELGGEW-ZCYQVOJMSA-N 444.531 5.239 30 20 IKED O=C1/C(=C\c2nc(-c3cc(Cl)ccc3Cl)cs2)CS(=O)(=O)c2ccccc21 753897708 YLSAYEXHJYDFLL-XFFZJAGNSA-N 436.341 5.171 30 20 IKED Cc1nc(CCC(=O)OCc2ccc(F)c(C#N)c2)oc1-c1ccc(Br)cc1 758944292 HIQCKYXZZGAKBW-UHFFFAOYSA-N 443.272 5.099 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCn1ccc2cc(Cl)ccc21 759208423 YXYQIBPTXSPKHQ-INIZCTEOSA-N 444.318 5.003 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(OC(=O)c2cnn(CCC#N)c2-c2ccccc2)c1 759528458 FEXCGQKSRKFYON-UHFFFAOYSA-N 432.480 5.030 30 20 IKED CC(=O)N(c1nc(/C=C2\CCOc3cc(C)ccc3C2=O)cs1)c1ccc(F)cc1F 763116765 OHCAVPUOCGQCNL-XNTDXEJSSA-N 440.471 5.463 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN2CCC(c3nc4ccccc4s3)CC2)c1=S 764854930 CMEMNHVOZNTLNL-UHFFFAOYSA-N 448.621 5.109 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C(C)=C\c1c(Cl)cccc1Cl 766842549 ZHGUILWQHOUYJT-FFWXCITRSA-N 429.347 5.869 30 20 IKED Cc1nc(CCC(=O)OCCCCC(C)(C)C#N)oc1-c1ccc(Br)cc1 768700508 WNPCUGSUAZLKHY-UHFFFAOYSA-N 433.346 5.608 30 20 IKED Cc1nnc(SCc2c(C(=O)Oc3ccc(C#N)cc3F)oc3ccccc23)s1 769737847 HZJDQMOAYMIZRC-UHFFFAOYSA-N 425.466 5.115 30 20 IKED Cc1nc(-c2ccc([C@@H](C)NCC3=CC(=O)n4c(nc5ccccc54)[C@H]3C#N)cc2)cs1 775140346 YCNZSQPKNOBNTE-QRWLVFNGSA-N 439.544 5.006 30 20 IKED C#CCOc1ccccc1NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 775470934 YJYNZJZEAIOJJN-UHFFFAOYSA-N 443.381 5.207 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H](c2cccnc2)c2cc3ccccc3o2)ccc1OC 779412301 LYUFSJXXYXLSPY-HFZDXXHNSA-N 427.504 5.397 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3ccccc3O[C@H](C)C#N)c3c(C)noc3n2)c(C)s1 780159931 DTIFOHRQACNIKD-GFCCVEGCSA-N 432.505 5.420 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 782772676 IRGWZHLEROAXCQ-IKGGRYGDSA-N 432.590 5.038 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)Nc3ccc4ccccc4c3)cc2F)c1 782804459 PAOCAOXZTDWFGM-UHFFFAOYSA-N 439.446 5.007 30 20 IKED CC(C)(C)OC(=O)NCc1cccc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)c1 787922301 FGNPHFPMOGAIHS-UHFFFAOYSA-N 437.584 5.036 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC(COc4ccc(Cl)nc4)CC3)c2)cc1 788792948 CPYWUGBZWHWAQD-UHFFFAOYSA-N 447.922 5.330 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 793556409 ZKSWSCOYSSBLIE-UHFFFAOYSA-N 445.523 5.269 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)ccc21 793594782 ODEFNHOYGFTXNS-VWNXMTODSA-N 445.563 5.286 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)C[C@@H](CC#N)c2ccccc2)n(C2CCCCC2)c1C 795981867 PLKWTCVQUOHPFW-OAQYLSRUSA-N 446.551 5.051 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 799398215 FUPHMZQXBGAAON-ROUUACIJSA-N 446.617 5.097 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)c2cc(-c3ccccc3)nc3cc(F)ccc23)CC1 800117238 QTRBYSIFIPUCLA-UHFFFAOYSA-N 436.490 5.133 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cc(-c3cncc(F)c3)ccc2C)ccc1OC 801893470 XGGYLDHPBFWJDJ-NRFANRHFSA-N 448.498 5.207 30 20 IKED COC(=O)c1ccc(Cl)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 810340680 PAFBQFQZPDVSQK-UHFFFAOYSA-N 434.879 5.138 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ccc(N2CCc3sccc3C2)cc1)c1ccccc1 814624801 AJJBPWOWZJAMLR-QHCPKHFHSA-N 430.577 5.867 30 20 IKED COc1ccc2ccc(C(=O)[C@H](C#N)C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)cc2c1 816038831 IKNXMDUWVAEPQA-RBZFPXEDSA-N 441.314 5.355 30 20 IKED COc1cc(-c2noc(-c3cccc(Oc4ccc(C#N)cc4)c3)n2)cc(OC)c1OC 904674300 MKSKJGCDABDIBA-UHFFFAOYSA-N 429.432 5.093 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@H]2c2ccc(Cl)cc2)c1=S 914567024 RPFGDMCQDZDJHN-HXUWFJFHSA-N 441.000 5.724 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915086466 VLPAHBPFMPFLQR-QHCPKHFHSA-N 441.531 6.089 30 20 IKED N#CCOc1cccc(/C=C2\SC(=S)N(c3ccc(SC(F)F)cc3)C2=O)c1 915636111 LWIXLIYOHWMINA-WJDWOHSUSA-N 434.514 5.309 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2ccccc2)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 916159163 KWIRSXJOMNPNGD-QHCPKHFHSA-N 445.450 5.001 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccnc(Oc3ccccc3)c2)cc1 916403588 JRYIEFXVUXGYBL-VWLOTQADSA-N 434.499 5.851 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 916624801 QTLTWDPDDOALIR-VWLOTQADSA-N 442.588 5.217 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)n(Cc3ccccn3)c2C)cc1 916954661 JRBSUUDSJRGGAN-OSPHWJPCSA-N 428.536 5.023 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCCCN3C(=O)c3cccs3)n2)cc1 916974610 NUFWOOSIMDMZHP-IEBWSBKVSA-N 435.574 5.051 30 20 IKED N#C[C@@H](C(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1)c1nc2ccccc2n1C(F)F 917041044 OGBARZBNQLHTPO-INIZCTEOSA-N 447.407 6.138 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CSc3cc(Cl)ccc3Cl)n2)cc1 920140606 IHTGLCXCOBTALJ-OAHLLOKOSA-N 444.368 5.957 30 20 IKED N#Cc1ccc(CN(Cc2ccc(Br)s2)c2ccc3nc(O)[nH]c3c2)cc1 1644837616 NGAYRBWHPVRBTL-UHFFFAOYSA-N 439.338 5.171 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)C3CCC(F)(F)CC3)cc2)CCC1)C(F)(F)F 1786246113 QTKCGEUCJPLPGZ-UHFFFAOYSA-N 430.417 5.065 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(OC)cc3)cc2)CCC1 1787767724 DXQYYRFFUPDMDP-DEOSSOPVSA-N 432.564 5.140 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cn(C)c4ncccc34)CCC2)cc1 1789453916 IGFYQLHFTBZGKY-OAQYLSRUSA-N 442.563 5.089 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cc(F)ccc3C(F)(F)F)cc2)CCC1 1792174315 YHFLRLPTXODUFI-UHFFFAOYSA-N 447.432 5.142 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccccc3C)C2)CC1 1810355034 AUUGUVZPPFFTEI-JOCHJYFZSA-N 445.607 5.114 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 1831783745 NCEGJSWVBGSDGJ-GSDHBNRESA-N 434.624 5.178 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(F)c(Cl)c2)CC1 1832690817 PMXFHJYOECAVTB-QRWLVFNGSA-N 438.946 5.064 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)=C(/S)Nc1ccc(C)cc1C 10168508 WOOHXZHXZVYYTF-UHFFFAOYSA-O 448.612 5.352 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nc(C(F)(F)F)nc3ccccc23)cc1 26514545 WZIUIUWDQITPIY-OAHLLOKOSA-N 444.482 5.385 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1csc(-c2ccc(C)o2)n1 32324868 OHEZMXURYOVCTD-UHFFFAOYSA-N 442.541 5.499 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCN(CC3CCCCC3)CC2)cc1 65414422 QRWLHGORVCJULR-UHFFFAOYSA-N 446.595 5.061 30 20 IKED COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)N(C)C[C@H](C)C#N)cc1 65880786 LHVLELQCXORBRN-KETZHDHUSA-N 425.532 5.352 30 20 IKED N#CCCCOc1cccc(/C=C(/C(=O)NCc2ccccc2)c2nc3ccccc3[nH]2)c1 110419862 JWJSJEXGVJVWNK-PTGBLXJZSA-N 436.515 5.102 30 20 IKED C[C@H](c1ccccc1)n1c(SCCCCC#N)nc2ccc(Br)cc2c1=O 195565389 YCKULQNHYKGFNK-OAHLLOKOSA-N 442.382 5.554 30 20 IKED C[C@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 302992554 WNYGXPKZKMJLLF-JTQLQIEISA-N 440.783 5.912 30 20 IKED CCCc1c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cnn1-c1ccc(F)cc1 429352065 VMIMLHKIXXYJQS-UHFFFAOYSA-N 444.466 5.260 30 20 IKED Cc1c(C(=O)Nc2ccccc2-c2n[nH]c(-c3ccccc3)n2)sc2ccc(C#N)cc12 431337236 IGFORGROPROAAJ-UHFFFAOYSA-N 435.512 5.786 30 20 IKED N#CCCC[C@H](NC(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1)c1ccccc1 432904494 MFSSLOZSXXOJTE-DEOSSOPVSA-N 442.519 5.261 30 20 IKED CCn1nccc1C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 433245069 HHKSKTBXWRNGPX-UHFFFAOYSA-N 429.524 5.287 30 20 IKED O=C(Nc1ccc(F)cc1OCC(F)(F)F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2 434123962 LSGQARPSVKVZHC-CCHVVGMOSA-N 439.371 5.854 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1nn(C2CCCCC2)cc1C 434156199 YZZZYGUAVIUKDK-UHFFFAOYSA-N 443.551 6.100 30 20 IKED C=CCN(C(=O)c1ccc(OC)c(C2CC2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 435658900 CXRQRPPMUMARFD-UHFFFAOYSA-N 435.505 5.437 30 20 IKED CC[C@@H](C#N)Sc1nc2scc(-c3ccc(C)cc3)c2c(=O)n1C[C@H]1CCCO1 436048834 HIVPKHNUXMTJQY-SJORKVTESA-N 425.579 5.007 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 437378022 WTPGHEUBULOVKQ-UHFFFAOYSA-N 442.475 5.764 30 20 IKED COc1ccc(Br)c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 437484267 URPNYTGPVGBCHC-UHFFFAOYSA-N 441.256 5.513 30 20 IKED N#CCCn1cc(-c2csc([C@H](NC(=O)c3ccccc3)C3CC3)n2)c2ccccc21 437649334 WYHAXHPEQYVAKZ-HSZRJFAPSA-N 426.545 5.560 30 20 IKED CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)N[C@H](CCC#N)c1ccccc1 438843770 WOSQHXFDOLIHAF-GOSISDBHSA-N 433.339 5.008 30 20 IKED C=CCC[C@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccc(C(F)(F)F)cc1 441595700 WLCSJILNKBSLQE-SFHVURJKSA-N 431.483 5.590 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 443940079 RWDDUXGHHGCHQX-HOTGVXAUSA-N 438.528 5.630 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3c[nH]nc3-c3ccccc3Cl)c2)c1 446009836 DWQIGVQEXGCFOR-UHFFFAOYSA-N 441.878 5.106 30 20 IKED N#Cc1ccc(NCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)cc1C(F)(F)F 462171589 SUUVJAKXEQQLJT-QGZVFWFLSA-N 444.438 5.021 30 20 IKED COc1ccccc1-c1csc(C2CCN(C(=O)[C@H](C)c3cccc(C#N)c3)CC2)n1 462348901 ZNCKHSNUYGKPQI-QGZVFWFLSA-N 431.561 5.200 30 20 IKED CC(C)NC(=O)CCCC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 464301395 MTZCEDKCJJQTOS-UHFFFAOYSA-N 433.430 5.003 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)N2CC[C@H](CSc3ccccc3)C2)CC1 465882919 YFBRRFJHFGOZDO-KPQWGBOZSA-N 435.593 5.072 30 20 IKED CC[C@H](NC(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F)c1nc(C(F)(F)F)cs1 465987832 VNVFGUINVRGJAI-CMPLNLGQSA-N 429.361 5.355 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(-c2ccccc2OC)cc1 466072185 XNXGXXDHMKVCPX-HXUWFJFHSA-N 443.547 5.153 30 20 IKED CSc1ccc(F)cc1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 466808476 ZAZVVGQGDCCTJQ-UHFFFAOYSA-N 435.524 5.514 30 20 IKED C=C(C)CN1CCC(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 467509392 AMNMAMNUVOULMX-UHFFFAOYSA-N 445.972 5.170 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@@H](CC3CCC3)c3ccccc3)ccc21 470538372 PPDRXJACIGAQNI-QHCPKHFHSA-N 430.552 5.323 30 20 IKED CCCCN(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[C@H](CC)c1ccccc1 470541385 HMLGGXNHSGHAEX-XMMPIXPASA-N 446.595 6.055 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F 473769530 DFAUUDAWWAKRFK-UHFFFAOYSA-N 445.401 5.019 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F 473782511 BHPHAPWQMLOOMB-UYAOXDASSA-N 439.441 5.195 30 20 IKED CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2ccc(C(C)(C)C#N)cc2)c1 474592355 GZXKGXJFXSZMLW-HXUWFJFHSA-N 439.559 5.850 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)cc1 476334312 IYEFLHKEZORPDB-UHFFFAOYSA-N 437.465 5.744 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)C1c2ccccc2-c2ccccc21 477751299 PRRBHVBMSXXAOE-SFHVURJKSA-N 427.573 5.579 30 20 IKED Cn1ccnc1[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1ccccc1F 479508161 BZGZZLIWIACIGI-QHCPKHFHSA-N 442.519 5.101 30 20 IKED Cc1ccc(CN2CCOCC2)cc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 479608640 WDYRQHNCGIOEPQ-UHFFFAOYSA-N 443.572 5.102 30 20 IKED CCCN(C[C@H]1CCCCO1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 480600692 JMOORKGYUDKDEZ-OAQYLSRUSA-N 425.504 5.089 30 20 IKED C=CCN(CC1CCCCC1)C(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 481989317 NLRTWNKRHYHSQS-UHFFFAOYSA-N 449.473 6.151 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccccc4Cl)c3C)n2)cc1 483281171 GINVAMUZGFVIBO-KRWDZBQOSA-N 448.935 5.456 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)C[C@H](c3ccccc3)C(F)(F)F)c2)c1 483406087 FTZOWNPJGXYZEE-OAQYLSRUSA-N 437.421 5.485 30 20 IKED CC(C)(C)n1cc(C#N)c(NC(=O)c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)n1 485764456 RESDWARHTFBNKC-UHFFFAOYSA-N 429.311 5.207 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1C 485847227 APKPMVMCKKSEEJ-UHFFFAOYSA-N 446.894 5.439 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC(c2c(F)cccc2F)CC1 485879633 GCUDAXBZYGZZQY-INIZCTEOSA-N 429.536 5.035 30 20 IKED Cc1nc(C(=O)N[C@@H](CCCC#N)c2ccccc2)nn1-c1c(Cl)cccc1Cl 487367850 CYYOPFNQYYEBKE-SFHVURJKSA-N 428.323 5.048 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccccc2C)n1CC=C 488903843 YGUXMZRJBUCTRD-SFHVURJKSA-N 438.622 5.196 30 20 IKED C[C@H](N[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(C(F)(F)F)cs1 490075851 ZMGXDSLCMFRPJI-SFYZADRCSA-N 436.343 6.611 30 20 IKED N#Cc1cc(NC(=O)c2cccc(COC3CCOCC3)c2)ccc1Oc1ccccc1 490479990 MONRQROBRMAZFO-UHFFFAOYSA-N 428.488 5.298 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc23)cc1 495156010 GRPKUVZSNBDCTR-CQSZACIVSA-N 440.956 5.315 30 20 IKED C=CCn1c(SCc2ccccc2Oc2cccnc2)nnc1-c1ccc(OC)cc1 496556570 SGBRHWOVBQTCAY-UHFFFAOYSA-N 430.533 5.619 30 20 IKED N#C[C@@H](C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1nc(-c2ccccc2)cs1 497862214 YUDIJYCZKYHDKK-FQEVSTJZSA-N 436.558 5.016 30 20 IKED COc1cccc(CN(C(=O)CSc2ccc(C#N)cn2)C23CC4CC(CC(C4)C2)C3)c1 498162470 LVKZATNASKZEHL-UHFFFAOYSA-N 447.604 5.052 30 20 IKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@@H](C#N)c1ccccc1Cl 499926606 HKKGRQZVWFUMRT-IBGZPJMESA-N 447.753 5.373 30 20 IKED COc1ccc([C@H](NCc2ccc(C#N)cc2OC)c2ccccc2)cc1Br 500876370 PFAGZJGRRIAJMJ-HSZRJFAPSA-N 437.337 5.217 30 20 IKED N#C[C@H](C(=O)c1cnccc1Oc1ccccc1)c1nc(-c2c(F)cccc2F)cs1 501358536 JVLXFJLPEISCCY-OAHLLOKOSA-N 433.439 5.766 30 20 IKED Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 501465014 BRYLAAMUDBQNSX-UHFFFAOYSA-N 437.499 5.476 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)n2)c1 502459678 DZVBGCNVRYCWQA-UHFFFAOYSA-N 430.514 5.248 30 20 IKED COc1ccc2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c2c1 504548984 YYWRKARMFXANHQ-QGZVFWFLSA-N 432.430 5.356 30 20 IKED C[C@H](NC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F)c1ccc(C#N)cc1 505317580 JOIXJCIZXHHDGU-ZDUSSCGKSA-N 442.397 5.305 30 20 IKED N#C[C@@H](NC(=O)Cc1csc(-c2cccc(Br)c2)n1)c1ccc(Cl)cc1 505834161 RTXZEZMVSMDBQS-QGZVFWFLSA-N 446.757 5.150 30 20 IKED Cn1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C(C)(C)C)n1 510573284 WBNTWHHTLDVOPR-ZDUSSCGKSA-N 433.364 5.638 30 20 IKED CCOc1cc(Br)c(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1OCC 510642176 ZRSHAOMMJFGONJ-ZDUSSCGKSA-N 432.318 5.001 30 20 IKED COCCn1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c2ccccc21 512791599 CZBYAHKFCYNLRZ-UHFFFAOYSA-N 439.515 5.185 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 513572024 HHJGYPQROLBLBH-DEOSSOPVSA-N 441.600 5.245 30 20 IKED Cc1ccccc1-n1ncc(C(=O)Nc2cccc(OCCCC#N)c2)c1C(F)(F)F 515612728 NUDDGWVFBYHVNT-UHFFFAOYSA-N 428.414 5.134 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccccc1OCC(F)(F)F 516539567 BLCCVZCVGQTOPY-UHFFFAOYSA-N 442.462 5.581 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NC1(c2cccc(C#N)c2)CC1 516637278 HAEKTQBMONNITD-UHFFFAOYSA-N 435.936 5.253 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NCC(=O)Nc1oc(C)c(C)c1C#N 516893754 ARRJMMOWNJBRSR-LBPRGKRZSA-N 428.945 5.143 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 517461518 KJTBNDHUQBFEIE-QGZVFWFLSA-N 446.532 5.711 30 20 IKED C[C@@H](c1cccs1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 518149240 HBDIIJZPTVQDJC-HNAYVOBHSA-N 437.952 5.215 30 20 IKED Cn1cc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c(-c2ccccc2Cl)n1 519611015 JXVOHPOHKDTBJI-UHFFFAOYSA-N 429.867 5.052 30 20 IKED C=CC1CCN(C(=O)c2ccc(-c3ccc(C(=O)N4CCC(C=C)CC4)cc3)cc2)CC1 520328749 FEKTWPOMNZUIRC-UHFFFAOYSA-N 428.576 5.430 30 20 IKED CCCc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)C(C)C)cc1 520846945 QGQOMFKISGUBGE-JPYJTQIMSA-N 437.609 5.343 30 20 IKED Cn1c([C@H](C#N)C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)nc2ccccc21 522694390 ICGPCVSTVICVAH-LJQANCHMSA-N 426.863 5.381 30 20 IKED Cc1cc(C)cc(-c2nnc(NC(=O)c3occc3COc3cccc(C#N)c3)s2)c1 524510810 CNQGLAYHZAGRLJ-UHFFFAOYSA-N 430.489 5.118 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)c1 524513577 QIYCROKVCTYGJN-UHFFFAOYSA-N 447.922 5.652 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)NCCCCSc1ccccc1Br 524565825 DGQCIMCONXLYGK-UHFFFAOYSA-N 432.387 5.035 30 20 IKED C[C@H]1CN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c2ccccc2NC1=O 524665100 MYIXGGFBRCRORV-HNNXBMFYSA-N 431.879 5.239 30 20 IKED CC(C)c1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1-c1ccccn1 534660853 NPZFHSRWUYJBEH-AWEZNQCLSA-N 449.486 5.282 30 20 IKED C=CCN(C(=O)c1ccc(CC#N)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 534744562 PREBDCPUXRAPGB-UHFFFAOYSA-N 428.344 6.016 30 20 IKED CCN(C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C)c1ccc(C#N)c(Cl)c1 535877794 WYRXBOSSASXOFT-UHFFFAOYSA-N 435.940 5.197 30 20 IKED Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 537102551 HMFHAWAOLMJLMJ-HXUWFJFHSA-N 435.915 5.713 30 20 IKED COC(=O)[C@@H](N[C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1)c1cccc(C#N)c1 543505494 SLEWMUJQMUJDMU-XCLFUZPHSA-N 425.941 5.209 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 543598392 ZSAWDDDQQQMYQU-JYFHCDHNSA-N 444.506 5.790 30 20 IKED CC(C)(C)[C@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1cccc(C(F)(F)F)c1 548901509 VMCAUOFZZWNUDQ-HXUWFJFHSA-N 444.501 5.455 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](c2ccccc2OC)C1 549285089 DTPIPWIPLKEMNX-RSEQLOHWSA-N 444.579 5.102 30 20 IKED C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(-n2cccn2)c(F)c1 550256628 MAZBHJSLDURHGS-LJQANCHMSA-N 426.495 5.313 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1ccc(C(F)(F)F)nc1 551697268 HNUYMZUPXHOGNH-UHFFFAOYSA-N 430.270 5.410 30 20 IKED C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(c2cccc3ccccc23)CC1 559026031 LHTDVAWYIAZIOA-HXUWFJFHSA-N 434.584 5.115 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NC[C@@H]3CCCO[C@H]3c3ccccc3)cc2)ccn1 563967993 KBJXSPHGHPTUQD-CYFREDJKSA-N 428.492 5.035 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@](F)(c2ccccc2)C1 565847144 LEAJASSBBUIZRP-AREMUKBSSA-N 429.495 5.548 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H]3c3ccc(Br)cn3)c2)cc1 573382496 LMKQHHDVHRCMLU-QFIPXVFZSA-N 448.320 5.485 30 20 IKED COc1ccc2c(c1)C[C@@H](C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)CO2 603758668 AESYNILLXOFINT-GCJKJVERSA-N 432.907 5.194 30 20 IKED N#C[C@@H](C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1nc2cc(C(F)(F)F)ccc2s1 603846301 MBZLOLVGPMXREX-NSHDSACASA-N 430.367 5.195 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)Cc3csc(-c4ccccc4Cl)n3)c2C#N)C1 604480803 DXOFJIRDHPULDA-GFCCVEGCSA-N 427.982 5.703 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2c(-c3ccccc3)ncn2C2CC2)cc1 604544147 MQVNPDIYGFSQIF-UHFFFAOYSA-N 434.499 5.588 30 20 IKED CCC[C@@H](NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(Cl)c(Cl)c1 608993553 DZNIXOZUZMUZKU-HXUWFJFHSA-N 446.382 5.069 30 20 IKED CN(C(=O)c1ccc(NC(=O)c2cc3ccccc3n2CC#N)cc1Cl)C1CCCCC1 609165510 XUMFLXBVLMLBAL-UHFFFAOYSA-N 448.954 5.475 30 20 IKED CCN(C(=O)NCc1ccc(C#N)cc1F)[C@H]1CCSc2ccc(Br)cc21 609254568 SGZXETVUXPZJPJ-SFHVURJKSA-N 448.361 5.228 30 20 IKED COCc1cc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1F 609355682 PUWYHVKPDBHNEJ-NRFANRHFSA-N 437.902 5.603 30 20 IKED CC(C)c1[nH]nc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1Br 609433043 XPVXZGJAALSFIU-UHFFFAOYSA-N 425.286 5.212 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccc(F)c(F)c4)C3)cc2)c1 609433749 FVFVVWPLHGPKTF-HSZRJFAPSA-N 435.430 5.234 30 20 IKED Cc1nc(CCC(=O)N[C@@H](C)c2cccc(C#N)c2)oc1-c1ccc(Br)cc1 610362989 ICNPWLJGXMOHJM-AWEZNQCLSA-N 438.325 5.094 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(OCc4ccccc4C#N)cc3)CC2)cc1 617249856 JASIQYHMDSSXAP-UHFFFAOYSA-N 438.527 5.181 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1-c1ccccc1Cl)c1cccc(C#N)c1 619065109 URHMGVLDKIKGDI-AWEZNQCLSA-N 438.314 5.348 30 20 IKED COc1ccc(-c2nnc(Sc3ccc([N+](=O)[O-])cc3C#N)n2C2CCCCC2)cc1 619672636 NJUJCYHODDQUGL-UHFFFAOYSA-N 435.509 5.390 30 20 IKED N#C[C@@H](C(=O)c1occc1COc1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 642282179 RJBLZBLVSIPABM-INIZCTEOSA-N 442.418 5.977 30 20 IKED Cc1cc(NC(=O)N2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)ccc1OCC(F)(F)F 674568383 IAUCNCKOSFCLLV-PHIMTYICSA-N 438.290 5.141 30 20 IKED C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 685532823 MZVLTZYFDJVQPA-HXUWFJFHSA-N 426.973 5.457 30 20 IKED C=CCN(C(=O)CN1CCSC1=O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 727971030 MIIFBQHSHDHTGA-UHFFFAOYSA-N 435.574 5.165 30 20 IKED COc1ccc(C)cc1NC(=O)CNc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728053140 PEAXIZUCOXIPOX-UHFFFAOYSA-N 435.911 5.158 30 20 IKED C=CCc1cc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc(OC)c1OC 729369528 HFGITXFVCAXMLR-XMMPIXPASA-N 442.515 5.006 30 20 IKED N#CCOc1ccc(CNCc2cc(Br)ccc2OCc2ccccc2)cc1 729685561 YFJKXCRHUHAEDK-UHFFFAOYSA-N 437.337 5.220 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2csc3ccccc23)cc1C 729978111 WMOZXEJIRKKWTD-GOSISDBHSA-N 428.561 5.786 30 20 IKED CC(C)(C)n1cc(/C=C2/S/C(=N/C3CCCC3)NC2=O)c(-c2ccccc2Cl)n1 731156952 PWCPWKPOUQRJIX-LDADJPATSA-N 428.989 5.461 30 20 IKED Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=S)Nc2ccccc2C#N)C3)cc1 731492365 MRTKUPSFVBPVBX-UHFFFAOYSA-N 441.560 5.266 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)c1 733774265 DVLILRDNDZGPOR-HXUWFJFHSA-N 436.943 5.260 30 20 IKED C[C@@H](OC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nnc(-c2cccs2)o1 734590734 IQDFKXXJLFMWAD-OAHLLOKOSA-N 431.473 5.167 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1 734997959 HMTMSRXARDNDQZ-FQEVSTJZSA-N 435.867 5.311 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N(Cc3ccco3)Cc3cccs3)c2)s1 740064452 OFDLKOOUKXONNV-UHFFFAOYSA-N 433.558 5.853 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(SC(F)F)c(OC)c2)c(SC)cc1OC 741165421 MHFAJSQUQIEILC-FNORWQNLSA-N 426.506 5.645 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 743232981 PXLANNRTCPMTQM-SFHVURJKSA-N 439.556 5.501 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2C[C@@H](C)C[C@@H]2c2ccccc2F)c1=S 743374146 OXLHXAYPJRIPJK-LAUBAEHRSA-N 438.572 5.455 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc(Br)cs1 743450181 XVTMUFUHRIYDPW-OAHLLOKOSA-N 441.306 5.264 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnc(-c3ccc(OC)cc3)s2)cc1 744032075 BLTRIDULYKBMLJ-YWZLYKJASA-N 433.533 5.293 30 20 IKED CCC(CC)(Cc1nc2ccccc2s1)C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1 744725926 ZXDIUVUHBGZABX-UHFFFAOYSA-N 446.532 5.310 30 20 IKED C[C@@H](Oc1cccc(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1)C(=O)O 745021490 PQPIFTWECGHRGO-WDBUWWRISA-N 449.890 5.340 30 20 IKED C=CCc1cc(/C=C2/C(=O)N(c3ccccc3C)C(=O)c3ccccc32)cc(OC)c1O 747034118 OWJSZZIUKZHXER-PXLXIMEGSA-N 425.484 5.165 30 20 IKED COc1ccc(-c2cc(C(=O)OCCCCC#N)c3c(C)nn(-c4ccccc4)c3n2)cc1 747661452 VJDQLTIYNPRYJB-UHFFFAOYSA-N 440.503 5.255 30 20 IKED C=CCn1c(SCc2cccc(SC(=O)N(C)C)c2)nnc1-c1ccc(OC)cc1 753059963 COFCJZWFWAZKOK-UHFFFAOYSA-N 440.594 5.206 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 754473910 DFCUEFYZPSFSJY-IFMALSPDSA-N 434.540 5.646 30 20 IKED Cc1ccc(-c2cncc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c2)cc1 757875637 RNQQYUJDGYGIRA-DEOSSOPVSA-N 447.494 5.811 30 20 IKED C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1C#N)c1nc(Cc2ccc(Cl)cc2)no1 758119464 HNFQCJKAHAVMAB-NSHDSACASA-N 435.789 5.122 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 760785459 AZTQRJBRMANOLH-UHFFFAOYSA-N 436.295 5.340 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/Cc3cc(Cl)cc(Cl)c3C2=O)cs1 764431396 DURMRAJSBIZSTM-JYRVWZFOSA-N 447.318 6.096 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 780675717 SPHZLZWUEGIEIL-LJQANCHMSA-N 437.503 5.152 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/Oc3c(C(C)C)ccc(C)c3C2=O)cs1 783936012 WEEFPTXECWUHHM-RGVLZGJSSA-N 436.508 6.015 30 20 IKED CCOc1cc(/C=C(\C(=O)c2cccc(OC)c2)c2ncc[nH]2)ccc1OCC(F)(F)F 787169907 QJNPGPXJSBBXNV-WOJGMQOQSA-N 446.425 5.182 30 20 IKED C[C@H](c1cccc(N2CCOC2=O)c1)N(C)CCC(C#N)(c1ccccc1)c1ccccc1 789357469 JNKWYXGHUHNOJX-JOCHJYFZSA-N 439.559 5.536 30 20 IKED C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccsc1 790739095 XJLYZSDUSADJKZ-AWEZNQCLSA-N 440.377 5.201 30 20 IKED N#C[C@@H](C(=O)CCc1cnc2ccccc2c1)c1nc2cc(C(F)(F)F)ccc2s1 796649650 IZPHWLYHFSVWAN-INIZCTEOSA-N 425.435 5.672 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)C1CC(c2ccc(F)cc2)C1 796745681 MESPASCGANSBTR-OBFZPWGMSA-N 428.463 5.459 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2cccc3cccnc23)cc1 796802170 ZBSBQPUWBNCJPP-JOCHJYFZSA-N 435.483 5.262 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797566354 HHMBEKLGAJQQAT-GOSISDBHSA-N 426.973 5.316 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 797570064 CBXURUPJHQCKMO-KVSKMBFKSA-N 441.597 5.519 30 20 IKED CCCCCCCCCCC(=O)N1CCC(O)(c2scnc2Br)CC1 797772864 BQIRTAZHUWQOFQ-UHFFFAOYSA-N 431.440 5.246 30 20 IKED COc1cccc2c1CC/C(=C\c1csc(N(C(C)=O)c3ccc(F)cc3F)n1)C2=O 799502393 KWFVEWCRCXCYGW-GXDHUFHOSA-N 440.471 5.327 30 20 IKED CC(C)(CC(=O)c1ccccc1)CC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 799602561 UYRNAGUAACIDJU-SFHVURJKSA-N 444.503 5.338 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)OC2CCC(N3CCCC3=O)CC2)c1 799674283 GJQVVTMJJZYZMM-UHFFFAOYSA-N 438.911 5.094 30 20 IKED C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N(C)Cc1c(C)noc1C 800776818 PLTYHXZJNDJVCW-UHFFFAOYSA-N 447.514 5.090 30 20 IKED O=C(c1cc(F)c(C(F)(F)F)cc1F)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 804464578 WZHYHTZQAFQHPT-QMMMGPOBSA-N 444.347 5.479 30 20 IKED CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 806200973 QMAXCTRAMJQFRP-ZEQRLZLVSA-N 448.567 5.255 30 20 IKED N#C[C@H]1CC[C@@H](COC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)CC1 809092181 ZNSUIRRFYTYIDZ-HSQQEVOMSA-N 430.548 5.040 30 20 IKED C=C(C)[C@H](CC(=O)N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21)OCC 811953331 NFKYHMQZFWSXIJ-ICSRJNTNSA-N 432.561 5.123 30 20 IKED O=C(/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1nc2ccccc2oc1=O)c1ccccc1 817342292 AWAGBEWJXWARBW-FOWTUZBSSA-N 432.819 5.173 30 20 IKED C=CCn1c(C2CC2)nn(CN2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)c1=S 917455260 HXQMUZAWYGPHFZ-UHFFFAOYSA-N 438.641 5.228 30 20 IKED N#C[C@H](Cc1ccccc1)SC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1 917906437 XMCLVPBZRVRXON-NRPPHEFGSA-N 427.504 5.437 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCN(c4ccc(Cl)cc4)C3=O)n2)cc1 920110557 OAGSKENJWXDIFI-RTBURBONSA-N 435.936 5.001 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ncc(-c4ccccc4F)o3)n2)cc1 920142331 VCARTKSVQXSQQK-GOSISDBHSA-N 442.475 5.285 30 20 IKED CNC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N([C@H](C)c2ccc(C)s2)C1=O 920168552 MJWVFAZZXSFJOF-QRWLVFNGSA-N 437.590 5.039 30 20 IKED CCn1cc(C(=O)/C=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)cn1 920991961 UPRXZONVZILOPA-MDZDMXLPSA-N 441.325 5.149 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)nc5ccccc45)CCC3)cc2)C1 1785807711 NMFACEQPQUPYLW-UHFFFAOYSA-N 445.950 5.602 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CS[C@H]3CCCCO3)CCC2)cc1 1786103547 MQVBOCMKZCYVIR-QHCPKHFHSA-N 442.625 5.149 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3oc4ccccc4c3C)CCC2)cc1 1786366218 SLAFSFRKWHZTFY-UHFFFAOYSA-N 446.547 5.472 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCCc3cccnc3)CCC2)cc1 1789454843 GZHYWXBCPQVRPT-XMMPIXPASA-N 431.580 5.307 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c[nH]nc4c3)CCC2)cc1 1789625857 BKAODUTYZQCRAB-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(Cl)ccc4c3OCO4)CCC2)cc1 1791247900 LUMYHRVWNHCQKB-OAHLLOKOSA-N 440.927 5.029 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCOc1ccc(Cl)cc1 1794105241 AXHQRDZHXAJHSB-WKCHPHFGSA-N 447.019 5.130 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3ccccc3o2)[C@H]1c1cccnc1 1802495289 AQLIWNSGXNBFNZ-URXFXBBRSA-N 445.563 5.140 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](C)Sc3ccccc3)CC2)C1 1804859778 LDRLPOKRIHDSRD-OAQYLSRUSA-N 442.669 5.391 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccnc1 1811949826 GDMIDNNEPMCKGA-LOSJGSFVSA-N 447.623 5.517 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2C2CC2)[C@@H]1c1cccnc1 1813758074 SYHWRTZKOHUQSJ-PLXFJCCSSA-N 443.591 5.047 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ncccc23)n[nH]1 1818472483 YDALJPSAAIYLEF-MBSDFSHPSA-N 443.551 5.032 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(C)(C)C)nc2)[nH]n1 1819300453 CTJKBCBCMGOIBE-FPOVZHCZSA-N 449.599 5.177 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ccoc23)n[nH]1 1821532797 NWVBWAZBCVVSQK-OAQYLSRUSA-N 432.524 5.230 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3occc3c2)CC1 1828256260 CXTSBWYHFIFJTK-QHCPKHFHSA-N 436.596 5.659 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccoc3s2)CC1 1828823886 BZMJTNWIVXQXLR-SFTDATJTSA-N 440.609 5.496 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)c(F)c2)CC1 1828826769 BMGUPUOXKONIAP-VWNXMTODSA-N 426.576 5.136 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(C)C)cc2)CC1 1830061359 ZIBDGSOFDGABLV-JOCHJYFZSA-N 432.555 5.255 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(OCC)c2)CC1 1830106516 YRGONCHEMVQEQB-DEOSSOPVSA-N 440.628 5.311 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2ccc(F)c(Cl)c2)c1 10755909 IEWOHEUALBNANX-UHFFFAOYSA-O 434.343 5.779 30 20 IKED C=CCn1c(SCc2cc(=O)oc3cc(OC)ccc23)nnc1-c1ccc(Cl)cc1 21608782 SGVINAUORHAPLE-UHFFFAOYSA-N 439.924 5.192 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nc(C(F)(F)F)nc3ccccc23)c1 22248377 FLSWPYXNADPKTA-UHFFFAOYSA-N 444.482 5.304 30 20 IKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)NCc2ccccc2)cc1 22730732 MIHMHELKRABPCY-UHFFFAOYSA-O 439.551 5.278 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1 25841631 LWCJTKGJWAQJCN-UHFFFAOYSA-N 427.529 6.174 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1/C(O)=N/c1nc(CN2CCC[C@H](C)C2)cs1 28677801 UDERIPWJYAPOQD-ZDUSSCGKSA-N 430.574 5.582 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccccc3F)c2)cc1Cl 58685252 ZEVJOUDMBZTMBB-HXUWFJFHSA-N 430.870 5.573 30 20 IKED C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(NC(=O)NC2CC2)cc1 61001354 KNFHEYFFJJJUCW-IBGZPJMESA-N 440.547 5.272 30 20 IKED Cc1cc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)cc(C)c1OCc1ccccn1 207668157 HKRNVRMPPJSISH-KTKRTIGZSA-N 428.488 5.130 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2cccc(COCc3ccco3)c2)c1 303524653 DOXFZAYLLUHGPX-UHFFFAOYSA-N 438.483 5.699 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(Br)cc2Cl)c1-c1ccccc1 428339811 ZGPDCJXMTWKCCU-UHFFFAOYSA-N 429.705 5.132 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)N[C@@H](CCCC#N)c1ccccc1 431926071 NZNUINLWDQGKQC-UWJYYQICSA-N 436.556 6.053 30 20 IKED C[C@@H](CCNCc1cn(CCC#N)nc1-c1ccncc1)c1cccc(C(F)(F)F)c1 433331524 NBSXKOAXDCQOMK-KRWDZBQOSA-N 427.474 5.161 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@@H](Cc1ccc(Cl)cc1F)C(C)=O 436188491 URPOXNRSEYHJHH-FQEVSTJZSA-N 445.947 5.128 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccccc2CC(F)(F)F)cc1 438622878 LUEKPUZXTGMWGW-UHFFFAOYSA-N 441.428 6.036 30 20 IKED C[C@H](N(Cc1ccccc1)C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)C(C)(C)C 441406323 XSBCMWSYVXLFDB-KRWDZBQOSA-N 446.576 5.084 30 20 IKED N#CCCCn1cc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c2ccccc21 443899140 LZCMOQNTFYQCMT-UHFFFAOYSA-N 437.503 5.841 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@H](C)c2nc3ccccc3n2C(F)F)c1 444660503 RZAOBNNAWYNDPN-MSOLQXFVSA-N 439.510 5.034 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3sc(Br)cc3[N+](=O)[O-])c2)cc1 445175852 UENHULIRUZYLFS-UHFFFAOYSA-N 444.266 5.335 30 20 IKED N#Cc1cc(F)c(C(=O)NCc2ccccc2-c2ccc(CN3CCCC3)cc2)c(F)c1 445872832 ZCFVWUROEUYNCX-UHFFFAOYSA-N 431.486 5.029 30 20 IKED N#C[C@H]1N(C(=O)c2oc3ccccc3c2COc2ccccc2)CCC[C@@]12CCCCO2 448536810 HJOXXEOOTMSKOQ-BVAGGSTKSA-N 430.504 5.079 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 463502241 QMWDLBGAXIHRCV-ZIAGYGMSSA-N 435.339 5.263 30 20 IKED COc1ccccc1O[C@@H](C)CNC(=O)c1ccccc1SCc1ccc(C#N)cc1 464284239 ASSBGIGQVUUGPL-SFHVURJKSA-N 432.545 5.056 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 464857410 SNBASGYGKLBRET-IBGZPJMESA-N 437.503 5.073 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)NCCOc2ccc(C#N)cc2)cc1 466101789 JPDNWROEXFOKIS-IBGZPJMESA-N 429.520 5.015 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)c2ccccc21 469585668 VBNKZMCGQVZGTF-UHFFFAOYSA-N 430.552 5.062 30 20 IKED CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccccc1Sc1ccccc1C#N 476459546 LHZJSEBAHUHBFE-UHFFFAOYSA-N 443.572 5.074 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(Cc4ccccc4F)s3)n2)cc1 478532584 APYCIFZUTSVTPR-QGZVFWFLSA-N 449.532 5.495 30 20 IKED Cc1nc(SCC(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)c(C#N)c(C)c1C 480892967 BKATXBMYUDNNCI-JOCHJYFZSA-N 447.608 5.265 30 20 IKED C[C@H](NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1)c1ccc(Oc2ccccc2)cc1 481072101 JIBRFWFTYDPTFB-ROUUACIJSA-N 449.532 5.047 30 20 IKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@@H](C#N)c3nccc4ccccc34)cc12 483227087 JPRARMVJTFSICP-FQEVSTJZSA-N 426.476 5.573 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccccc3OC[C@H]3CCCCO3)c2)cc1 483357429 VFWRHYWWOOSZHW-HSZRJFAPSA-N 428.488 5.551 30 20 IKED CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)Nc3nc4c(cc3C#N)CCCC4)c12 484180261 SMWLUHCJOIMGPT-UHFFFAOYSA-N 429.524 5.087 30 20 IKED N#CCCN(C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)C12CC3CC(CC(C3)C1)C2 486569086 YHGNIFQXOSEVSZ-UHFFFAOYSA-N 442.485 5.216 30 20 IKED CC(C)c1cc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)c2cnn(C(C)C)c2n1 489061388 HZSGPGRZSXLCNR-UHFFFAOYSA-N 443.473 5.212 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1cccs1 489446995 JJIUQJMRDCKZAG-CQSZACIVSA-N 433.002 5.582 30 20 IKED CN(Cc1cccc2[nH]ccc12)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 494515221 ZTBJGGZNNZHTOJ-QFIPXVFZSA-N 428.923 6.141 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(Cl)c(C#N)c2)nnc1-c1ccc(Cl)cc1 498437049 UECDMVSDAZNEHO-UHFFFAOYSA-N 444.347 5.040 30 20 IKED C=CCN(C(=O)CSCC(=O)c1ccc(Cl)cc1)c1nc(-c2ccccc2)cs1 499234960 PCEQXTPNMZFQLZ-UHFFFAOYSA-N 442.993 5.599 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc3oc(C(F)(F)F)nc23)c1 499510875 XTSJZOALVCAKRR-UHFFFAOYSA-N 427.338 5.143 30 20 IKED Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)Nc2cc(C)n(CCC#N)n2)cc1 504109617 KPPGXIPQHDCHQF-UHFFFAOYSA-N 441.560 5.385 30 20 IKED C=CCCc1ccccc1NC(=O)N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 505001009 NBQPSENSFVNEIK-XMMPIXPASA-N 434.561 5.120 30 20 IKED C[C@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C(c1ccccc1)c1ccccc1 505276379 DVMADCAMRQHIMH-FQEVSTJZSA-N 441.550 5.251 30 20 IKED CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1 505981111 IKCRMLOTIUJDAE-IBGZPJMESA-N 432.351 5.106 30 20 IKED CC1(C#N)CCN(C(=O)Nc2ccc(Oc3ccccc3Br)c(Cl)c2)CC1 506642170 JSIYXQLHXZBSKA-UHFFFAOYSA-N 448.748 6.052 30 20 IKED C=CCn1c(SC[C@H](C#N)CCC#N)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 508533434 ZFOJAIHFNKYZQV-FUHWJXTLSA-N 439.654 5.879 30 20 IKED COc1ccc(OC)c([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 510023305 JVUDQXCIRFAMEJ-ZHRRBRCNSA-N 449.938 5.895 30 20 IKED N#Cc1ccc(-c2ccccc2)nc1SCc1cccc(C(=O)NCc2ccco2)c1 510185089 ZMRXXTQKDPTSRJ-UHFFFAOYSA-N 425.513 5.436 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 511336545 YURXLIPUCSGGCG-HSZRJFAPSA-N 438.531 5.037 30 20 IKED COc1ccc(-c2nc3c(s2)[C@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CCC3)cc1 511738302 PSTQLYKXSJVVPY-OAQYLSRUSA-N 449.551 5.301 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)s2)cc1 513172863 WGBIJZDLKISFOZ-MRXNPFEDSA-N 431.439 5.421 30 20 IKED N#C[C@@H](C(=O)c1cccc2cccc(Br)c12)c1nc2ccccc2n1C(F)F 513660695 JXIJDRLDYCEPBP-AWEZNQCLSA-N 440.247 5.837 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4nc5ccccc5s4)cc3)o2)cc1 513686683 DJRKXEWYWFILTD-LJQANCHMSA-N 436.496 5.812 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 514436366 AUOXAUGAPTXJSU-JOCHJYFZSA-N 442.950 5.666 30 20 IKED CC1CCN(c2ccc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)cc2[N+](=O)[O-])CC1 515321892 INTMFDPAOQMJAH-UHFFFAOYSA-N 447.520 5.079 30 20 IKED Cc1sc(CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)nc1-c1ccc(Cl)cc1 517778522 ZGWDDLKRCOBHRJ-UHFFFAOYSA-N 438.984 5.764 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3OCc3cscn3)n2)cc1 517800863 MFCFSZNFAQZBHS-LJQANCHMSA-N 447.541 5.344 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccco2)nc2ccccc12)c1nc2cc(Cl)ccc2s1 517952124 LRVNTALHAUFTAF-MRXNPFEDSA-N 429.888 6.248 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCC2(c3ccccc3)CCOCC2)cc1 518782471 ZUPNGHIRQRBATO-UHFFFAOYSA-N 442.584 5.329 30 20 IKED Cc1ccc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1NC(=O)NC(C)(C)C 519491417 SQQOPTMNJPJXGV-UHFFFAOYSA-N 443.507 5.226 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 521685309 UUMZCOGCUDMPEP-LEWJYISDSA-N 426.358 5.044 30 20 IKED Cc1nc(-c2ccc([C@H](C)NC(=O)c3occc3COc3cccc(C#N)c3)cc2)cs1 523947137 YYHOAVUGBGDLMG-INIZCTEOSA-N 443.528 5.653 30 20 IKED CCOc1ccc(NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c(C(F)(F)F)c1 524217523 XGHVTUFHDANGTO-UHFFFAOYSA-N 438.290 5.453 30 20 IKED C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 524623767 OYXGIRBKLALNGP-OAQYLSRUSA-N 440.547 5.479 30 20 IKED N#Cc1nnc2ccccc2c1Sc1nnc(Nc2cccc(Br)c2)s1 524842631 FFMDXMDSACSYBG-UHFFFAOYSA-N 441.339 5.010 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(c2c[nH]c3ccccc23)CC1 532899496 CLKGHWZLLZDXED-SFHVURJKSA-N 432.593 5.380 30 20 IKED COc1cc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)sc1Br 536151397 PPJHIAWAZMGTFN-UHFFFAOYSA-N 443.322 5.222 30 20 IKED Cc1ccc(OCCCC(=O)Nc2ccc(CN[C@H](C)c3ccc(C#N)c(F)c3)cc2)cc1 537406146 BHPUQEXEHWKHOC-HXUWFJFHSA-N 445.538 5.654 30 20 IKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 541100016 FDVGOZHCUDNIHI-ZDUSSCGKSA-N 436.928 5.232 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1ccccc1SCCC#N 541113863 ARCNYOPZGGHVER-UHFFFAOYSA-N 431.439 5.927 30 20 IKED C=CCN(C(=O)Nc1ccccc1COC(C)(C)CC)[C@@H](C)c1cccc(-n2cnnn2)c1 542718267 MLYXXYGXWHXABE-IBGZPJMESA-N 448.571 5.149 30 20 IKED C[C@H](NC(=O)NCc1cn(C)nc1-c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 542971655 CWKFPLDCUBYTIO-IBGZPJMESA-N 435.531 5.186 30 20 IKED COc1cc(C#N)ccc1CN[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C 544471551 VFIBRQCKZAUFFM-CYBMUJFWSA-N 442.382 5.612 30 20 IKED C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CC[C@]2(C1)OCc1ccccc12 549303224 OIDUCCLQYXEJNR-HSZRJFAPSA-N 440.469 5.176 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1CCC(OC[C@H]2CCCO2)CC1 550604013 CAYZDBNGBBYMOQ-OOEPIQFGSA-N 448.563 5.139 30 20 IKED N#Cc1ccc(N2CCC(NC3CCN(Cc4cc(Cl)cc(Cl)c4)CC3)CC2)cc1 552065212 KNCZSYOERFAEQN-UHFFFAOYSA-N 443.422 5.088 30 20 IKED CC(C)c1nc(C2CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)CC2)no1 552611459 KGFGFAXLVBZNPW-UHFFFAOYSA-N 430.508 5.071 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 553612920 BUOHFEGMYNDOMT-NSHDSACASA-N 432.901 5.136 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1cc(C#N)c2ccccc2n1 554775680 FZVCBELHLKFUNW-UHFFFAOYSA-N 430.464 5.120 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCc1ccc(C(C)(F)F)cc1 556630105 JJEWIHVMUISLIZ-UHFFFAOYSA-N 449.457 5.026 30 20 IKED Cc1ccc(NC(=O)c2cc(C#N)ccc2Cl)cc1Oc1ncccc1Br 560692290 VWJZZSVTNWORFI-UHFFFAOYSA-N 442.700 5.722 30 20 IKED CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 568452830 PXLFYUACSPFXOA-UHFFFAOYSA-N 442.397 5.308 30 20 IKED O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 569033016 YOTIYCNRPUKQKA-XZOQPEGZSA-N 442.519 5.080 30 20 IKED Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 570367142 CNSIAHGCJIOOLX-ZJSXRUAMSA-N 439.559 6.050 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 579508086 XDOIXFQMABSUJN-JKSUJKDBSA-N 437.569 5.247 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3cscc3-c3ccccc3)s2)cc1 589270782 YFPPBRXBBWJYOC-UHFFFAOYSA-N 434.571 5.683 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c12 589904840 DJGAZUKHKWYOGA-UHFFFAOYSA-N 431.492 5.443 30 20 IKED Cc1c(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)sc2ccc(C#N)cc12 589981160 RTARNFHOZYCGPS-RYUDHWBXSA-N 434.405 5.721 30 20 IKED Cc1ccc(-c2nc(CC(=O)N(Cc3cccc(C#N)c3)c3ccc(F)cc3C)cs2)o1 603569569 QABZCTCSZOOVPA-UHFFFAOYSA-N 445.519 5.807 30 20 IKED CCN(CC)[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccsc1 603689903 SQCQHPOTBUBMSV-OAQYLSRUSA-N 435.553 5.012 30 20 IKED Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)[nH]c2c1 604510370 WPDHHTIUGUCZDN-HSZRJFAPSA-N 437.503 5.904 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 608841109 KNDXZDQVBZLBGA-RPBOFIJWSA-N 427.504 5.701 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4cc(C#N)ccc4OC(F)F)cc3)o2)c1 609066834 UREZGXYMLXQKMM-UHFFFAOYSA-N 446.413 5.437 30 20 IKED C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)Nc1ccc(C(C)(C)C#N)cc1 609205682 QMZCNUIREQBEKO-BFUOFWGJSA-N 444.398 5.855 30 20 IKED N#CCCSc1ccccc1NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 609375971 RAJOKCOJMMZIDD-UHFFFAOYSA-N 443.572 5.336 30 20 IKED Cc1cccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c1I 609377246 RMXQADBEHOASNJ-GFCCVEGCSA-N 436.318 5.104 30 20 IKED CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C(C)C)cc1 609400067 GOVSLPUDCZJIDS-FDDCHVKYSA-N 437.609 5.658 30 20 IKED CCN(C(=O)CC1(CC(=O)Nc2nccs2)CCCCC1)[C@@H](C)c1ccc(C#N)cc1 609516436 JDVOALCCSYDMBS-SFHVURJKSA-N 438.597 5.294 30 20 IKED CC[C@@H](C)N(Cc1ccccc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 609744235 SAVDCMJFKBAHDA-MRXNPFEDSA-N 437.594 5.535 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)COc2ccc(Oc3ccccc3)cc2)c1C 610053972 DIGOSPUOEIISRK-UHFFFAOYSA-N 438.487 5.171 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C#N)c2ccccc2Br)c1 610197903 DLSJEIWJOTYHDN-SFHVURJKSA-N 448.748 5.082 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1 610325816 PYACRBPIKOVOMJ-MRXNPFEDSA-N 425.554 5.467 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCCC[C@@H]2c2noc(C3CC3)n2)cc1 610497745 CYJQRMHCBVWUFU-HXUWFJFHSA-N 430.533 5.337 30 20 IKED COc1ccc(CN(C(=O)NCc2ccc(C#N)cc2F)[C@H]2CCCC[C@@H]2C)cc1OC 611327595 LNESYLOGQLQFGK-JTSKRJEESA-N 439.531 5.005 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1-c1ccc(Cl)cc1 617895926 DIAXQRMTWSGJLG-CQSZACIVSA-N 447.391 5.866 30 20 IKED COC(=O)c1ccccc1-c1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 618561405 FQRABRDQQNYUDW-IBGZPJMESA-N 445.425 5.375 30 20 IKED Cc1ccc([C@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)N2CCCC2)o1 726074500 QASVMUKIBRLWRY-ZEQRLZLVSA-N 428.536 5.202 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](NC(=O)CC(C)C)c3ccccc3)n2)cc1 727627717 PNTVGHDAIYGRKE-OFNKIYASSA-N 431.561 5.198 30 20 IKED N#CCOc1ccc(CNC(=O)c2oc3ccccc3c2CSCc2ccccc2)cc1 727678430 HXQVLWNKRCYCTI-UHFFFAOYSA-N 442.540 5.699 30 20 IKED C#Cc1cccc(N(C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C(C)C)c1 728247633 BBMYRJWEYKRUOG-UHFFFAOYSA-N 449.904 5.393 30 20 IKED N#C[C@H](C(=O)NC1CCCCC1)C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 730396947 VCLLWYVYUQFVBS-INIZCTEOSA-N 436.455 5.085 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=S)Nc1ccc2c(c1)OCCO2 730955019 RYVVJGHBKWBRKE-UHFFFAOYSA-N 439.484 5.291 30 20 IKED N#Cc1ccccc1COc1cccc(/C=C2\SC(=S)N(Cc3cccs3)C2=O)c1 731371378 BBJCWOLLHBOWSJ-MTJSOVHGSA-N 448.594 5.600 30 20 IKED CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 733147273 DWBAQTIKEBQXKL-UHFFFAOYSA-N 427.504 5.374 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccccc2Nc2ccc(OC)cc2)ccc1OC 733278819 YHSVSBWKZXXVNW-FQEVSTJZSA-N 445.519 5.058 30 20 IKED C[C@@H](SC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1)c1ccc(C#N)cc1 735618205 IPSHPUWPSMPIRP-HAFIMRKLSA-N 427.504 5.935 30 20 IKED C[C@H](COc1cccc(C#N)c1)OC(=O)c1csc(-c2ccc(Br)s2)n1 739189558 WITRONOGMCBQTD-LLVKDONJSA-N 449.351 5.130 30 20 IKED CCCOc1c(Cl)cc(/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)cc1OCC 748584638 SYNSCQSKCKWYOJ-YHYXMXQVSA-N 429.900 5.380 30 20 IKED N#CC1(NC(=O)c2ccc(-n3nc(SCc4ccccc4)sc3=S)cc2)CCC1 749174765 XNWQTFODDALWME-UHFFFAOYSA-N 438.603 5.132 30 20 IKED C[C@H](OC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)C(=O)N(CCC#N)c1ccccc1 751710267 JJXBOUSTJUYRFB-XWARPOEQSA-N 448.485 5.014 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(COCc3ccccc3)cc2)cc1C#N 752252953 IDPBVPYXVZYXPQ-UHFFFAOYSA-N 444.491 5.487 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(C2CC2)[C@@H](C)c2ccccc2Cl)cc1C#N 752295413 TWWWDIXBWNEOKM-AWEZNQCLSA-N 426.904 5.538 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)c(Br)c1 753533867 POHIAFOIHHZBFS-JTQLQIEISA-N 446.515 5.370 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)ccc1OC 756696740 IWCXSPIFUNDOIZ-AEFFLSMTSA-N 444.601 5.167 30 20 IKED CC1(C)C(=O)Nc2ccc(C(=O)/C=C\c3cccc(NC(=O)c4ccccc4Cl)c3)cc21 759121523 PMZJYDKZWLTQSG-RAXLEYEMSA-N 444.918 5.718 30 20 IKED C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)c2)C1 761850738 NSIBETHBOILIOV-WVQWTBLQSA-N 433.552 5.259 30 20 IKED Cc1ccc(Cn2nc(C)c(/C=C/C(=O)c3cc(Br)ncc3F)c2C)cc1 762423498 FPESTRRCQSAXJB-CMDGGOBGSA-N 428.305 5.049 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(OC(F)(F)F)c1 763476515 KFZVKUBWPZZAIK-SFHVURJKSA-N 440.377 5.339 30 20 IKED C[C@@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(Br)cc1 766627315 KXUMOUBFIWCUJY-RISCZKNCSA-N 447.304 5.831 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(Sc2ccccc2Cl)nn1 768757413 VTUQGKFEOSHXIA-HNNXBMFYSA-N 446.919 5.276 30 20 IKED Cc1cc(C[C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)n(-c2ccccc2)n1 773263536 XCUJCUYLQCANBA-HRFSGMKKSA-N 449.558 5.589 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2c(C)noc2C)[n+]2ccc(C(C)(C)C)cc2)c1 773935810 HHTNKZISDNWBRV-UHFFFAOYSA-O 432.569 5.181 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)Cc3cn(-c4ccccc4)nc3-c3ccc(F)cc3)[nH]c12 780382505 YYUCIWMLJBXFJE-QFIPXVFZSA-N 449.489 5.282 30 20 IKED CC[C@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1ccccc1 787031746 MWNUIKWWWUFPTB-FPOVZHCZSA-N 433.895 5.117 30 20 IKED CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 793126005 COMFSTPMOGJQOQ-YJBOKZPZSA-N 429.467 5.669 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2cnn(-c3ccc(C(F)(F)F)cc3)c2)S1 794687654 UGEBBASCALXFAR-VCHYOVAHSA-N 442.466 5.400 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CC=C(c3ccc(C)cc3)CC2)c1=S 798191029 YOCKBDMQPKLJDS-UHFFFAOYSA-N 432.593 5.331 30 20 IKED COc1ccc2occ(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c2c1 799602100 HBJBRNNDEDJYSS-LJQANCHMSA-N 426.428 5.195 30 20 IKED Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)[C@@H](C#N)c2nccc3ccccc23)cs1 810716403 HWKZTNIXZOUKOF-FQEVSTJZSA-N 429.520 5.960 30 20 IKED N#C[C@H](C(=O)CCc1nc2ccccc2n1-c1ccccc1)c1cc(C(F)(F)F)ccn1 813216011 DTGSYSSITJQPDB-SFHVURJKSA-N 434.421 5.248 30 20 IKED COc1ccc(/C=C\c2ccc(OC(=O)CCc3c(C)nn(CCC#N)c3C)cc2)cc1 813221890 YBOPEKCWWPWUNE-WAYWQWQTSA-N 429.520 5.131 30 20 IKED N#C[C@@H](C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1nc2ccccc2s1 915099366 SEPMXXRCEHIXKH-FPOVZHCZSA-N 425.513 5.034 30 20 IKED N#CCOc1cccc(NC(=O)c2oc3ccccc3c2CSCc2ccccc2)c1 915742663 ZOYAKBHFNZMTLY-UHFFFAOYSA-N 428.513 6.021 30 20 IKED Sc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1 916368055 VNQKJVXORSCSLZ-QHCPKHFHSA-N 441.560 5.770 30 20 IKED Cc1ccc(OCCCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916907696 ZRDQOXQXQIIPCO-QFIPXVFZSA-N 428.488 5.294 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cc1Cl 916939734 SAESLFQXNOZYIZ-FQEVSTJZSA-N 435.911 5.026 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)cc1 916951155 XIZLMNDNNRPMKS-HTAPYJJXSA-N 449.551 5.437 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1nc2cc(Cl)ccc2s1 917042659 CRMKBXOVFDZLLW-AWEZNQCLSA-N 443.862 5.692 30 20 IKED CC(C)(Oc1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917044659 UPSDGBOHDUFOTB-AWEZNQCLSA-N 438.858 6.002 30 20 IKED FC(F)Sc1nc2ccccc2n1CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 918734561 XVVOFGSBDVBGHG-UWVGGRQHSA-N 433.368 5.371 30 20 IKED Cc1ccc(C(C)C)c(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 920141491 PCYDWJWMYAYHNL-UTKZUKDTSA-N 429.545 5.757 30 20 IKED Cc1ccc([C@@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2cccc(C)c2C)s1 920175009 XQSYEJGTEXEOQR-UZLBHIALSA-N 441.622 5.035 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc(N2CCCC2)nc1Cl 920753533 GWADLWNZJZRHBD-UHFFFAOYSA-N 439.928 5.016 30 20 IKED Cc1cccc(C(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)c1NC(=O)c1ccccc1F 920878181 YXOAPMVLGRYIHU-GOSISDBHSA-N 434.442 5.065 30 20 IKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(F)ccc4s3)cc2)CCC1 1789291744 MRSRUPSJIIFZFK-ZDUSSCGKSA-N 428.554 5.106 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3csc(C(F)(F)F)n3)cc2)CCC1 1789881543 IIBDZASVGCWINI-ZDUSSCGKSA-N 437.487 5.122 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cn(C)cc3C(F)(F)F)CCC2)cc1 1791247734 HPIBLOXWZVIPIP-HNNXBMFYSA-N 433.474 5.004 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)C23CCC(CC2)CC3)[C@H]1c1cccnc1 1813563388 ADHUHHMFNQCLRJ-RDQXJMKESA-N 437.628 5.050 30 20 IKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](c2ccccc2)[C@@H](C)CC)n[nH]1 1816848334 GKQRKJDMWLROKZ-UWUFEASWSA-N 434.584 5.035 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccsc2)n[nH]1 1817519806 ZQALERBMFNISKX-IBGZPJMESA-N 428.602 5.089 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3cc(C)[nH]c23)[nH]n1 1819555072 XYXPDCOEEOAGKJ-NRFANRHFSA-N 447.583 5.498 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](F)c2ccccc2)CC1 1824139320 KFSILVRYYSEZGT-ZEQRLZLVSA-N 426.576 5.085 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccccc2Cl)CC1 1826473842 UAQMHDCKYJYNPE-LADGPHEKSA-N 443.031 5.271 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCC(F)(F)CC2)CC1 1828825697 YCPFIRYFWLJMJV-FCHUYYIVSA-N 436.587 5.200 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2c(F)cccc2F)CC1 1829068622 IEIWXAHUIXCWAX-HSZRJFAPSA-N 446.582 5.119 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 1829068672 KCSPZXOECWRWNY-RUZDIDTESA-N 449.639 5.323 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2cc(C)cc(C)c2)cc1 10172485 PMYMVQVSZISICY-UHFFFAOYSA-O 434.541 5.112 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccc3c(c2)CCCC3)c1 10174860 TVXQKCRMNOSFKZ-UHFFFAOYSA-O 449.665 6.145 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2ccc(N(C)C)cc2)cc1F 14872430 VXAJYUSHWSZYGN-UHFFFAOYSA-O 442.967 5.192 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1ncc(C(F)(F)F)cc1Cl 21551207 ZPLLGIJTFPFPAN-GFCCVEGCSA-N 443.878 5.190 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2ccccc2)s1 22690303 CJELYGOFNABQTC-UHFFFAOYSA-O 435.566 5.710 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(COc2cc(C)ccc2C)o1 23972618 HMIIJVCFFYDDJC-KRWDZBQOSA-N 443.594 5.022 30 20 IKED CC(C)C(=O)Nc1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 33091358 PRZPMCSOGMJIJZ-UHFFFAOYSA-N 443.572 5.375 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)cn2)cc1C 111198784 ANPRSRRWPJDAAF-UHFFFAOYSA-N 442.519 5.156 30 20 IKED CC(C)(C)OC(=O)CCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O 114817919 MKNIKVLVLSJHJK-UHFFFAOYSA-N 425.566 5.007 30 20 IKED Cc1ccc(Cl)cc1N1CC[C@@H](CNCc2cn(CCC#N)nc2-c2ccccc2)C1 237555685 NGWODTPRIJWOMS-FQEVSTJZSA-N 433.987 5.042 30 20 IKED Cc1nc2ccccc2n1CCCNC(=O)c1ccccc1Sc1ccccc1C#N 247923207 ACYXWVBPWRHRPM-UHFFFAOYSA-N 426.545 5.188 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)CSCc1ccc(C#N)cc1 303319497 QXWCOXQIWPNGRA-AWEZNQCLSA-N 442.009 5.754 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 303334051 KGPGZIGLPCUUCT-GOSISDBHSA-N 444.560 5.384 30 20 IKED N#C[C@@H](NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1cccc(Cl)c1Cl 303421403 YMAXPBHPFLNPKG-MRXNPFEDSA-N 449.725 5.401 30 20 IKED C[C@@H]1CCCCN1Cc1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1 428245057 DVHXYOQRFGRTOV-HXUWFJFHSA-N 427.552 5.090 30 20 IKED Cc1nc(NC(=O)CCc2cc(Cl)ccc2Br)sc1SCC#N 429951105 IXCFNPZJHIMKRV-UHFFFAOYSA-N 430.780 5.054 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)s1 430610705 LKYLEDAGFPIHGC-CYBMUJFWSA-N 429.343 5.083 30 20 IKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)C1(c2ccc(C#N)cc2)CC1 435879803 FJPXXPHGEXDRQR-UHFFFAOYSA-N 446.572 5.288 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1csc(-c2ccc(Cl)s2)n1 436346035 ZQTKUAWXTGXZOF-IRXDYDNUSA-N 427.982 5.366 30 20 IKED CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)Nc1ccccc1S[C@H](C)CC#N 438040895 VMGOOHFRPXFMQG-IRLDBZIGSA-N 436.625 5.457 30 20 IKED N#Cc1ccc(NC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)cc1C(F)(F)F 438647371 IJMYQJFAKBOEPI-UHFFFAOYSA-N 446.256 5.300 30 20 IKED O=C(Nc1ncc(C(F)(F)F)cc1Br)c1ccc(F)cc1C(F)(F)F 439300131 UASBQVKXZIVMFY-UHFFFAOYSA-N 431.105 5.273 30 20 IKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 439310669 VGARKPMMDAEVAF-LJQANCHMSA-N 441.531 5.513 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3ccc(F)cc3C(F)(F)F)c2)cc1 439399764 YKJSRRMARXEJOU-UHFFFAOYSA-N 443.356 5.086 30 20 IKED Cc1noc(C2CCC(NC(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CC2)n1 440275321 JFEOQBWJPOZZNY-UHFFFAOYSA-N 435.459 5.029 30 20 IKED N#Cc1cc(NC(=O)N2CCCC[C@H]2c2nc3ccccc3o2)ccc1OC(F)(F)F 442188497 NBEKGIYMZHXTBS-INIZCTEOSA-N 430.386 5.357 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)c1nc2ccccc2s1 442623509 XOBGAGDVARYHPC-ZDUSSCGKSA-N 440.311 6.280 30 20 IKED Cn1c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc2cc(C(F)(F)F)ccc21 442670781 JOPMPRCNZRTMJQ-ZDUSSCGKSA-N 433.842 5.950 30 20 IKED C[C@@H](C#N)CSc1ccccc1NCc1noc(Cc2ccc(Br)cc2)n1 444401183 PXTQFMSKXALKBJ-AWEZNQCLSA-N 443.370 5.287 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)NCc2ncc(-c3ccccc3)cn2)cc1Cl 461195541 KCALDKPFZVEBII-UHFFFAOYSA-N 440.890 5.391 30 20 IKED Cc1cccc([C@@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)c1 461726077 HVQPIXDOFGRTSE-RPWUZVMVSA-N 427.552 5.036 30 20 IKED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1csc(-c2ccccc2F)n1 462808838 WNFNLOWSPYVTSB-MRXNPFEDSA-N 434.540 5.705 30 20 IKED COc1ccccc1[C@H](C)SCCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 463201474 ISALCPUBNMEEKB-SFHVURJKSA-N 437.565 5.450 30 20 IKED COc1cccc([C@H](Cc2cc(C)cc(C)c2)N[C@H](C)C(=O)Nc2ccccc2C#N)c1 463922230 QGKBMORVYKIWBZ-IBVKSMDESA-N 427.548 5.084 30 20 IKED COc1cc2c(cc1NC(=O)c1cccc(Oc3ccc(Cl)cc3C#N)c1)NC(=O)CC2 464256858 CORBVHLIVHRJSR-UHFFFAOYSA-N 447.878 5.150 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(COc2ccc(Br)cc2C#N)cs1 468979293 PHSAMLNPACMBOF-UHFFFAOYSA-N 442.338 5.349 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3cc(-c4ccccn4)ccc3Cl)ccc21 469969699 QXSWRTNJHOZMGG-UHFFFAOYSA-N 444.922 5.237 30 20 IKED COc1cc([C@@H](C)NC(=O)C[C@@H](CC#N)c2ccccc2)ccc1OCc1ccccc1 474953030 LGNQRNFVPPVTEI-HYBUGGRVSA-N 428.532 5.539 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 475546467 JCVPFKMXZJNASM-QHCPKHFHSA-N 442.003 5.387 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)c1noc(-c2ccccc2)n1 477433202 IZTFONOCGOZIOE-HNNXBMFYSA-N 437.500 5.086 30 20 IKED C=C(C)[C@H](NCc1csc(N(C(C)=O)c2ccc(C)cc2C)n1)c1ccc(F)c(F)c1 481576856 KKFFKTFWAOQSSE-QHCPKHFHSA-N 441.547 6.130 30 20 IKED COc1cccc(C(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c2cccc(OC)c2)c1 481776284 HYPJWJUQGGRHMA-UHFFFAOYSA-N 443.547 5.285 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)Nc2ccc(C#N)c(Cl)c2)nc1-c1ccccc1 483862233 KUUPVVPVKMBEDT-FQEVSTJZSA-N 434.927 6.359 30 20 IKED CC1(C)CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC[C@@H]1C(F)(F)F 484178387 PENAGWWCYVNCGR-IBGZPJMESA-N 444.457 5.253 30 20 IKED Cc1cc(C(=O)N[C@@H](CCCC#N)c2ccccc2)nn1-c1ccc(Br)cc1 487449951 SCHODCCYVZKOGT-FQEVSTJZSA-N 437.341 5.108 30 20 IKED CN(C(=O)CSc1nc(C(F)(F)F)ccc1C#N)C(c1ccccc1)c1ccccc1 488760153 LXIQBWCAYBGKHQ-UHFFFAOYSA-N 441.478 5.312 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nnc1-c1cccc(OC)c1 488908904 MATCAODOWXEFTH-ZDUSSCGKSA-N 425.539 5.105 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2Cl)C(C)C)nnc1-c1cccs1 489462184 JPAHYBSMUSCCTA-KRWDZBQOSA-N 433.002 5.601 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Nc1cccc(NC(=O)c2cccs2)c1 495503433 NTXFYPYWUCILTN-MRXNPFEDSA-N 425.579 5.077 30 20 IKED Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)[C@@H](C#N)c3ccccn3)cc12 497788701 XGNIIOREOANNMN-AWEZNQCLSA-N 441.343 5.646 30 20 IKED C[C@H](NC(=O)C1(Cc2cccc(F)c2)CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 498949374 UXFRXLVBRWASRY-FQEVSTJZSA-N 442.534 5.581 30 20 IKED N#CC1(CSc2nnc(CNc3cccc(C(F)(F)F)c3)n2C2CCCCC2)CC1 500766978 LDHVZNADJHXTBF-UHFFFAOYSA-N 435.519 5.810 30 20 IKED Cc1cc(C)n(Cc2cccc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2)n1 501367307 YRBQQEAVFADGMC-SFHVURJKSA-N 448.498 5.440 30 20 IKED Cc1nc(C(=O)N(Cc2ccco2)c2ccccc2C#N)nn1-c1ccccc1C(C)C 503286756 ZJZXWVRBCXAUHU-UHFFFAOYSA-N 425.492 5.011 30 20 IKED CCCOc1cn(-c2ccccc2)nc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 503570691 CDUYACDLYPBWJX-INIZCTEOSA-N 436.924 5.414 30 20 IKED COc1cccc([C@@H](CNC(=O)Nc2cccc(C#N)c2)c2c[nH]c3ccccc23)c1OC 503714971 GJJRKVWBEDXLCG-JOCHJYFZSA-N 440.503 5.010 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)CCCCOc3cccc(C#N)c3)s2)cc1 505108551 FQLHNSXMVWWMRG-QGZVFWFLSA-N 449.576 5.425 30 20 IKED CCCSc1ccc([N+](=O)[O-])cc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 505423707 VYFPDACVCMNZLW-CQSZACIVSA-N 430.436 5.332 30 20 IKED N#C[C@H](NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1ccccc1Cl 505639579 TUPIUJBJANYTDG-HNNXBMFYSA-N 433.682 5.224 30 20 IKED Cn1c(C(F)F)nc2cc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)ccc21 507790290 CJWMUQRIKYKLCR-UHFFFAOYSA-N 434.471 5.462 30 20 IKED CN(CCCCc1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509889506 FWPAZEKKYSGFPI-UHFFFAOYSA-N 427.548 5.818 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1Cl 510022706 GGCVRGVTJFAXJO-VWNXMTODSA-N 444.966 5.391 30 20 IKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 510661563 BFROQMLJEANNJX-MRXNPFEDSA-N 428.517 6.185 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 510814253 NFXVSNAVYROSLH-UHFFFAOYSA-N 427.479 5.373 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccc(F)c2ccccc12 511812774 ZWLCCLBESMNVRL-HOTGVXAUSA-N 435.524 5.189 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@H](C#N)c1ccc(F)cc1 513007216 LDBAIZQAYULLGX-FZKQIMNGSA-N 429.904 5.137 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1NCc1ccccc1-c1ccc(Cn2cccn2)cc1 514625830 LVSLOQJKFSWLIA-UHFFFAOYSA-N 433.437 5.496 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)nnc1-c1cccc(C)c1 514955355 UIYOPMDDNQAVFJ-QHCPKHFHSA-N 432.593 5.108 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(COc4ccc(F)cc4)o3)n2)cc1 516270300 RCUIBKIWALZKKZ-HXUWFJFHSA-N 448.475 5.620 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CSCCCOc1cccc(C(F)(F)F)c1 517177673 BHWMCBMFONUPEN-UHFFFAOYSA-N 428.863 5.371 30 20 IKED N#Cc1ccc(Oc2cccc(NCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)c2)cc1 517924038 OMXYIGILSRKDJV-UHFFFAOYSA-N 445.828 6.073 30 20 IKED Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Nc1ccccc1S[C@@H](C)CC#N 518255625 HPJBHTZIKJERPI-KRWDZBQOSA-N 433.581 5.264 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 519107639 AKPMYLPLIWTMOH-UHFFFAOYSA-N 444.878 5.544 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1nc2ccccc2s1 519316036 OODFSGWFPNUZGS-GFCCVEGCSA-N 430.341 6.217 30 20 IKED COc1cccc(N2CC[C@H](CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)C2)c1 524159837 XLGKYFHVYISTAQ-HXUWFJFHSA-N 442.519 5.007 30 20 IKED CC1CCC(C#N)(N(C)C(=O)[C@H](C)Sc2nnc(-c3cccc4ccccc34)o2)CC1 525005230 VQOBIKUKRAXEKK-COYMHYPVSA-N 434.565 5.301 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)Cc1cccc(C#N)c1 532068513 IXZONKBSTGFNML-CYBMUJFWSA-N 440.366 5.173 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(CO)cc4)cc3)cc2)nc1 532676455 LVOBYPFKLYXHSS-UHFFFAOYSA-N 437.455 5.282 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 534985838 HBGQCDQWKSQGPI-JTSKRJEESA-N 433.930 5.009 30 20 IKED COc1cccc(CC(=O)N2CCc3ccc(N[C@@H](C)c4ccc(C#N)c(F)c4)cc32)c1 537533649 PIEOCRGORCSCHY-KRWDZBQOSA-N 429.495 5.011 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1cc(F)c(F)c(F)c1 539718140 TYQCNUSNANFFBF-UHFFFAOYSA-N 439.437 5.527 30 20 IKED N#C[C@H](C(=O)c1cc(Br)cc(Br)c1)c1nc2ccccc2s1 540244962 IBPZKBYCZGEXMV-GFCCVEGCSA-N 436.128 5.311 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl 543217574 ZLJKMWGSUKDOHD-GFCCVEGCSA-N 425.337 5.010 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NCc1cccc(C#N)c1F 543505011 PHCSPBNUZWBAKB-LBPRGKRZSA-N 430.346 5.743 30 20 IKED COc1cc(C#N)ccc1CNc1ccccc1CN(C)C(=O)c1cc2ccccc2o1 551960941 DOEJIWRHBUIKFY-UHFFFAOYSA-N 425.488 5.197 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 552147851 DOSWJAFLJLQKBE-UHFFFAOYSA-N 449.913 5.828 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cc1csc(-c2ccc(Cl)s2)n1 553116145 OELLBSNBAMHSTM-UHFFFAOYSA-N 435.018 5.450 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 553449517 QTULNOWZFAETBX-UHFFFAOYSA-N 447.539 5.203 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC=C(c4ccncc4)C3)cc2Cl)c1 562147727 ZQHDSDWSRSHSFF-UHFFFAOYSA-N 444.922 5.507 30 20 IKED N#C[C@@H](NC(=O)c1nc2ccccc2cc1Br)c1cccc(C(F)(F)F)c1 564343072 PEPLGYBXEUUDNX-MRXNPFEDSA-N 434.215 5.011 30 20 IKED COCCCC[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccccc1 570733565 PUYKBFIJEKETES-XMMPIXPASA-N 430.508 5.425 30 20 IKED C[C@@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1ccc(OCc2cccnc2)cc1 576093159 BSMZMCWTLNUYNW-CJFMBICVSA-N 428.536 5.456 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CC[C@](F)(c4cc(F)cc(F)c4)C3)cc2)ccn1 579821453 VYADSXBQRPLAJB-HSZRJFAPSA-N 438.409 5.126 30 20 IKED Cc1nc(O)c(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1-c1ccccc1 582761527 WSVCGVIWXCXTFU-SANMLTNESA-N 449.510 5.336 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1nc2ccccc2n1C(F)F 584559597 YLUINDJWZZUXNX-CQSZACIVSA-N 448.433 5.373 30 20 IKED C[C@H](NC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(C#N)c1 585745420 SAKOLBKAGPZITN-LBPRGKRZSA-N 429.364 5.498 30 20 IKED C[C@@H](CCNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1cccc(C(F)(F)F)c1 586791638 HCCJNZLWYNHOKK-INIZCTEOSA-N 447.476 5.243 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])cc1Cl 603962437 XKXOQMWTSKQXCC-LJQANCHMSA-N 435.867 5.311 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2cccs2)C2CC2)cc1Cl 604138787 OHRXKQWOUWUNOH-UGKGYDQZSA-N 449.963 5.263 30 20 IKED Cc1ccc(C)c([C@H](C)N(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 604500550 RXXKAGNETJUHMP-NRFANRHFSA-N 427.548 6.173 30 20 IKED CC(C)OC(=O)c1ccc(Cl)c(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1 608897790 XFMMCTREGAXNHD-UHFFFAOYSA-N 438.867 5.201 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N(CCc3ccccc3F)C3CCCC3)o2)cc1 609056439 OIGRYTZIWNLDCP-UHFFFAOYSA-N 432.495 5.497 30 20 IKED COc1ccc(Cl)cc1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609078680 HHFVGXAFPWMWTD-UHFFFAOYSA-N 435.911 5.429 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)CNc3cccc(C(F)(F)F)c3)c2)cc1 609201032 KJUPIRPEFKTYLC-UHFFFAOYSA-N 439.437 5.401 30 20 IKED N#CC1CCN(C(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 609206984 LWSPOUSFYGDDGT-UHFFFAOYSA-N 431.418 5.117 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2cccc(F)c2)no1 609378668 YLZWJZXBUJGIFJ-UHFFFAOYSA-N 435.402 5.758 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC[C@H]3CCCO[C@H]3c3ccccc3)cc2)cc1 609501920 JQIWGTLZQXIYLU-BVAGGSTKSA-N 426.516 5.443 30 20 IKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 609516251 SYJQERSBSQSECT-UHFFFAOYSA-N 436.515 5.555 30 20 IKED COc1ccc(Oc2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)cn2)cc1 610186065 ASXCWCCXQZEIQD-UHFFFAOYSA-N 441.443 5.178 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC3(CC2)OCc2ccccc23)cc1F 610743586 VSRSLDPOVIWOJY-UHFFFAOYSA-N 443.478 5.543 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(Oc4ccccc4Cl)CC3)cn2)cc1 611096746 COSGOAFUQYZLEJ-UHFFFAOYSA-N 448.910 5.474 30 20 IKED N#C[C@H](C(=O)c1ccc(COc2cccc(Br)c2)o1)c1ccc2ccccc2n1 613292107 AGCGXTKQTBBROU-IBGZPJMESA-N 447.288 5.659 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C)n1CC(F)(F)F 613320285 WABXTEIWRNRLFD-INIZCTEOSA-N 437.874 5.934 30 20 IKED N#C[C@@H](C(=O)c1ccc(CSc2ccccc2)cc1)c1nc2ccccc2n1C(F)F 613404625 UTHLDEFXLVDONO-IBGZPJMESA-N 433.483 6.214 30 20 IKED CCc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1cccc(Cl)c1 613404984 YMORHOGRYYRANJ-OAHLLOKOSA-N 439.853 5.323 30 20 IKED C=CCn1c(SCC(=O)N(C)c2cc(C)ccc2C)nnc1-c1ccc(Cl)cc1 615082664 GCRWKFBEMSGWMQ-UHFFFAOYSA-N 426.973 5.156 30 20 IKED O=C(N[C@@H]1CCSc2c(F)cccc21)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618555057 DZUJAIHXIAFLIY-GIPNMCIBSA-N 430.389 5.135 30 20 IKED CCCN(Cc1ccccc1F)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 622093048 UYSNAJPKHRUQIF-ZIAGYGMSSA-N 428.392 5.657 30 20 IKED C[C@H](NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(OC(F)F)c1 642897796 GJBGXMOSVBLTTO-DLOVCJGASA-N 448.354 5.558 30 20 IKED CC(C)(C)Oc1c(F)cc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F 679886434 ZUXQPKTZNMPWMU-NXEZZACHSA-N 448.354 5.737 30 20 IKED N#C[C@@H](C(=O)c1cn(-c2cccc(Cl)c2)nn1)c1nc2cc(C(F)(F)F)ccc2s1 682010952 HDCVXJSXZHPWLF-ZDUSSCGKSA-N 447.829 5.039 30 20 IKED Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 683722247 IMBRTRFIGVKYIZ-UPJWGTAASA-N 436.318 5.371 30 20 IKED FC(F)(F)COc1ccc(NN=Cc2cn(-c3ccccc3)nc2-c2cccnc2)cc1 727261470 BEQOPAMLTVXWRW-UHFFFAOYSA-N 437.425 5.321 30 20 IKED CCCCC[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 728145715 IMLLJWQCAZQXAU-CLJLJLNGSA-N 439.559 5.718 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2sccc2SC(F)F)cc1 730492607 MYIQTQKFDUECMS-UHFFFAOYSA-N 432.473 5.988 30 20 IKED Cc1ccc(C)c2c(C)c(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)oc12 731075628 GJJTWEQZVKZCPS-MRXNPFEDSA-N 436.533 5.548 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 731114295 MYSQZDDRDSXYSV-KURKYZTESA-N 446.617 5.095 30 20 IKED Oc1c(Br)cc(Br)cc1/C=N\C[C@H](O)c1ccc2ccccc2c1 731488231 AAOBVVJSKKJZHP-NLIBPXKJSA-N 449.142 5.223 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@H]2c2cccc3ccccc23)ccc1OC 733654121 OCSPEWGDGKUTST-XUZZJYLKSA-N 443.547 5.576 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(F)cc3Cl)n2)cc1 733682858 QOHBJADFTVUVTH-BLLLJJGKSA-N 430.888 5.255 30 20 IKED Cc1sc(NC(=O)CON=C(Cc2nc3ccccc3n2C)c2ccccc2)c(C)c1C 742357832 QOAXTQLGMJWAAI-UHFFFAOYSA-N 446.576 5.162 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 742536535 ABUNTBATJDEUIW-LJQANCHMSA-N 425.366 5.521 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)/C=C\c3ccc(Oc4cnccn4)cc3)s2)cc1 743055676 INTIYJUJGBZAJA-XGICHPGQSA-N 429.501 5.606 30 20 IKED Cc1c(C(=O)/C=C\c2ccc(O[C@@H](C)C#N)cc2)cnn1-c1ccc(Cl)cc1Cl 743056294 UQMXDDOLCQYUJF-MFNCVGGLSA-N 426.303 5.675 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C(C)(C)c1ccc2ccccc2c1 745415982 NUGUYTLQKRFRMO-SFHVURJKSA-N 446.572 5.551 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1 750691642 UOGXHUOQIJQUOD-QZNHQXDQSA-N 435.449 6.038 30 20 IKED Cc1cc(C(=O)OCc2cc(Cl)ccc2OCC#N)nc(-c2ccc(Cl)cc2)n1 751854894 LUYIHBFMTSUPIO-UHFFFAOYSA-N 428.275 5.018 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC(c2cccc(F)c2)CC1 752855837 MYONIKMQCRAKQK-QLPKVWCKSA-N 440.403 5.624 30 20 IKED N#C[C@@H](C(=O)CCSc1ccccn1)c1nc(-c2ccc(Cl)cc2Cl)cs1 756232152 SCDRYHAXYGNOCD-AWEZNQCLSA-N 434.373 5.871 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(O)(c3cccc(C)c3C)CC2)cc1 756950960 IRZMZEUWQIQZIC-UHFFFAOYSA-N 440.543 5.400 30 20 IKED CCCCOc1ccc(-c2nnc(COC(=O)c3ccc(C(F)(F)F)cc3C#N)o2)cc1 758120348 MNQKUVWEJAOTKP-UHFFFAOYSA-N 445.397 5.163 30 20 IKED C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1C#N)C(=O)Nc1ccc(Cl)cc1Cl 758126980 MBBKXOCPXYOJAY-SECBINFHSA-N 431.197 5.068 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2ccc(F)cc2OCC#N)ccc1OCc1ccccc1 761665603 VVDZZKATEVVNDA-KRWDZBQOSA-N 449.482 5.198 30 20 IKED CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 764770639 RTDHKVJAZMYREH-XMMPIXPASA-N 432.545 5.168 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)Nc1cccc(OCC#N)c1 767610148 NZEXTMWYSSDCPP-UHFFFAOYSA-N 434.883 5.447 30 20 IKED COc1cc(/C=C/C(=O)c2ccco2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 769772027 VCJAUKZVOILIRP-CSKARUKUSA-N 445.393 5.221 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCn3c(cc4c(Cl)cccc43)C2)cc1 770181658 YDAQVKYMNZJLDB-HSZRJFAPSA-N 440.934 5.998 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)Nc3cccc(OCC#N)c3)C2)n1 772232027 VZZNZESQPDDUCH-QGZVFWFLSA-N 448.548 5.133 30 20 IKED Cc1ccc([C@](O)(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C(F)(F)F)o1 773285636 PQINWEITFVTGJI-OAQYLSRUSA-N 430.382 5.031 30 20 IKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)csc1Br 773976005 QDPOQXSOQINHFE-NSHDSACASA-N 445.310 5.095 30 20 IKED COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC2(C#N)CC2)cc1OC 775840251 FEBZZEKPTFJGBB-AQTBWJFISA-N 440.499 5.199 30 20 IKED Cc1ncsc1-c1nc2ccccc2n1CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 780358411 LTJNBMLNDKBPFF-AWEZNQCLSA-N 447.520 5.094 30 20 IKED C=CCOc1ccc(/C=C\C(=O)O[C@@H](C)c2nnc(-c3ccccc3F)s2)cc1OC 781899571 USEVODGYUKPQQW-WQTVUKCASA-N 440.496 5.235 30 20 IKED CC1(NC(=O)OC(C)(C)C)CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 782011134 CCQFHJVJBOBEFN-JOCHJYFZSA-N 448.567 5.253 30 20 IKED CC[C@@H](C)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 782957472 URMQKDJIXQKTHU-NLFFAJNJSA-N 425.532 5.108 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1OC 790517766 LUZMVRDKXWFSIK-CVDCTZTESA-N 444.531 5.127 30 20 IKED Cc1nc(SC(F)F)sc1CC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 793038572 SDAHKWMUHLCMGY-UHFFFAOYSA-N 432.477 5.006 30 20 IKED N#C[C@@H](C(=O)Cc1csc2ccc(Br)cc12)c1nc2ccccc2s1 796629137 OFDVHEVCLRYXLN-AWEZNQCLSA-N 427.348 5.692 30 20 IKED CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797570383 GMMNEGZNUVJYBF-IRXDYDNUSA-N 431.989 5.115 30 20 IKED Cc1ccnc2ccc(C(=O)[C@H](C#N)C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)cc12 802799852 MJEJTNWLEFASEH-UGSOOPFHSA-N 426.303 5.050 30 20 IKED C#C[C@@H](NC(=O)N[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1)c1ccc(Cl)cc1 811860377 LZKYHXVJZNDHDS-HTAPYJJXSA-N 449.938 5.057 30 20 IKED CCOC(=O)Cc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)cc1 915106962 YATVRWIPIDKTMX-QINSGFPZSA-N 447.918 5.594 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)s1 915180337 NQOMIJIIRLKMSR-FQEVSTJZSA-N 429.570 6.017 30 20 IKED Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=Nn1c(S)nnc1-c1ccccc1Cl 916276690 HCDVRKKAPUBACX-UHFFFAOYSA-N 447.326 5.056 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916885453 XJRUAIBHGYZJPJ-CQSZACIVSA-N 434.723 5.339 30 20 IKED N#C[C@@H](C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)C(=O)Nc1ccccc1 916899985 HOZPVQBBXVBAOH-QFIPXVFZSA-N 425.463 5.254 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12 916915895 KQBIKCOCUFNOAQ-KRWDZBQOSA-N 443.484 5.016 30 20 IKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 917045405 ZDQBJLOCXYOCOI-CZUORRHYSA-N 443.981 5.195 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4c5ccccc5n(C)c4s3)n2)cc1 920144244 ZCCFKPFKSVOUBV-SFHVURJKSA-N 443.553 6.015 30 20 IKED COc1ccc(NS(=O)(=O)c2cccc(N=Cc3c(O)ccc4ccccc34)c2)cc1 920946209 SEOYGPJIDYBZNA-UHFFFAOYSA-N 432.501 5.105 30 20 IKED CCn1cc(C(=O)/C=C\c2ccc(OCc3cccc(C(F)(F)F)c3)c(OC)c2)cn1 920991434 HVOCDJOERXDRKM-CLFYSBASSA-N 430.426 5.406 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@@H](CC)c3ccccc3)cc2)CCC1 1787642513 BVDQLNBSCKUGCE-DEOSSOPVSA-N 434.580 5.297 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3nc4ccccc4o3)CCC2)cc1 1789458370 YAUDJSVAFNVXEB-HXUWFJFHSA-N 429.520 5.344 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccccc5o4)CCC3)cc2)cc1 1790289944 DDNOEGUHGKGHKX-UHFFFAOYSA-N 435.483 5.366 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)CSC4CCCC4)CCC3)cc2)cc1 1790705344 UMIAGLXGSVUASW-UHFFFAOYSA-N 447.604 5.176 30 20 IKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)c(C)o1 1792122240 HJUIEIGUPGLSPI-QGZVFWFLSA-N 441.531 5.585 30 20 IKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4cc5ccccc5o4)CCC3)cc2)CCC1 1792230544 ZKRCONHZEMXNPL-VAWYXSNFSA-N 439.515 5.274 30 20 IKED CCC[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(C#N)c2Cl)CC1 1799305717 DZSINTPCJHSYBB-SMWGBGATSA-N 442.003 5.070 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C)cccc2C)[C@@H]1c1cccnc1 1802501498 YPQPDRHNTHDYAA-LADGPHEKSA-N 433.596 5.010 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](C)c3ccc(Cl)cc3)CC2)C1 1805451618 RFNZXCWKJANDCF-FQEVSTJZSA-N 443.031 5.443 30 20 IKED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3ccncc3-c3cccc(C)c3)C2)CC1 1810343017 FGTFZLMPAMCHEW-QFIPXVFZSA-N 445.607 5.114 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cc4ccoc4s3)C2)CC1 1810510608 DYDZCQPFCAFWQQ-UHFFFAOYSA-N 428.598 5.332 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2C(C)(C)C)[nH]n1 1814826707 DHQAURZNTAXWCR-NRFANRHFSA-N 449.599 5.177 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)cc(F)c2F)[nH]n1 1819308761 ATRUJSMQAZIDHM-JXFKEZNVSA-N 442.510 5.071 30 20 IKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)CC1 1828319485 BLXGIOHSHCSPBF-IBGZPJMESA-N 444.000 5.092 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)CC1 1828606664 MUKQKROCWHVBTQ-DYESRHJHSA-N 442.600 5.486 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3sccc3[nH]2)CC1 1828708872 OACCIVMHSQMTLQ-JOCHJYFZSA-N 439.625 5.231 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H](C)c2ccccc2)CC1 1828832101 YWERMYVIKYDLSD-DFCKQENNSA-N 436.640 5.568 30 20 IKED CCC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)CCC1 1832632696 UPIZNRRJSGNIJG-RDPSFJRHSA-N 435.612 5.127 30 20 IKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 1832827443 HLIGCNODRQGKED-IBGZPJMESA-N 443.012 5.201 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(C)c2)cc1 10173944 VHJZBGTXMJSXMX-UHFFFAOYSA-O 433.597 5.856 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2cccc(Cl)c2)cc1 10831465 JGXMHIORCVTFON-UHFFFAOYSA-O 430.018 5.919 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1cc(C)c(C)cc1C)[n+]1ccc(N(C)C)cc1 14871962 WVRXZRLLFGDDSZ-UHFFFAOYSA-O 446.640 5.579 30 20 IKED C[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)NC1(C#N)CCCCC1 15223238 ZWCWVCQFMZKICQ-SFHVURJKSA-N 443.576 5.029 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccccc2)cc1 15248113 GFAROBMAKRHJHZ-UHFFFAOYSA-O 430.380 5.894 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc4cc(Cl)ccc4o3)s2)cc1 19201754 OLMCSCRSQHIPFD-UHFFFAOYSA-N 426.910 5.354 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCCc3c[nH]c4cc(F)ccc34)c2)cc1 65368585 NTNXZSIGCPXDDF-UHFFFAOYSA-N 442.494 5.316 30 20 IKED COc1ccc2[nH]cc(C/C(O)=N/S(=O)(=O)c3ccc(C4CCCCC4)cc3)c2c1 97465453 YFTYYICVBQRANQ-UHFFFAOYSA-N 426.538 5.112 30 20 IKED N#CCCN(Cc1cccnc1)C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 98076126 IICATQLCUAEZJA-UHFFFAOYSA-N 426.907 5.506 30 20 IKED CN(CCC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)c(Cl)c1)CC2 105049909 YYWKWXLNBFZPCI-SSZFMOIBSA-N 436.342 6.014 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CCOc2ccc(F)cc2Cl)cc1 108376067 IHBDUSACDICEIT-UHFFFAOYSA-N 438.886 5.532 30 20 IKED C=CCN(Cc1ccc(Cl)s1)Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1 196404024 AHCVDRQMBWIXKY-UHFFFAOYSA-N 439.393 5.347 30 20 IKED COc1ccccc1-c1nc(C2CCN(c3cc(C#N)ccc3C(F)(F)F)CC2)no1 302734880 VYPGLSIFFBWACB-UHFFFAOYSA-N 428.414 5.020 30 20 IKED CC(C)c1ccc(N(C(=O)CCc2ccc(C#N)cc2)c2nc3ccccc3s2)cc1 302894384 KQLYFJWKTOUGLH-UHFFFAOYSA-N 425.557 6.589 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(CN2CCCCCC2)cc1 303352716 FKZKQQHNADJSBG-HXUWFJFHSA-N 436.625 5.636 30 20 IKED C=CCOc1c(Br)cc(CNC2(c3nccs3)CCCC2)cc1OCC 303671409 PGVUKBVUONFJQN-UHFFFAOYSA-N 437.403 5.428 30 20 IKED COC(=O)c1cccc(NC(=O)c2ccccc2-c2ccccc2C#N)c1Br 427179515 UTBKHACLBUULQY-UHFFFAOYSA-N 435.277 5.027 30 20 IKED C=CCC[C@@H](NC(=O)NC1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1)c1ccccc1 435763411 MANTZGMQNYRPOY-LOSJGSFVSA-N 433.596 5.178 30 20 IKED CCCOc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(C)c1 437256675 FONXIKVTSXRROZ-UHFFFAOYSA-N 429.476 5.025 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H](COCc4ccccc4)C3)cc2)c1 438057619 BFXRSFXBRXTZCQ-QFIPXVFZSA-N 427.504 5.421 30 20 IKED CCN(CC)c1ccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cn1 438650852 RACCSKWFJZLYIZ-UHFFFAOYSA-N 433.487 5.053 30 20 IKED CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438652604 VHMYYEQNUURSSH-UHFFFAOYSA-N 432.499 5.085 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3nc(-c4cccc(O)c4)cs3)c2)c1 439529870 XCAWVRXYLAWKRB-UHFFFAOYSA-N 427.485 5.219 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NCC3CCC(C#N)CC3)cc12 441133093 FNHGXSXPYJPFFW-UHFFFAOYSA-N 426.973 5.168 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CCC(=O)c2cc(Cl)sc2Cl)cc1 446187200 DKNSEERYMGINJI-UHFFFAOYSA-N 425.337 5.363 30 20 IKED COc1cc(C)c(Br)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 462582005 QYQGBRBNODOSLZ-UHFFFAOYSA-N 441.281 5.062 30 20 IKED COC(C)(C)c1nc(C)c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)s1 463149621 VRQFIXHOSPOMSW-ZDUSSCGKSA-N 431.627 5.670 30 20 IKED C=CCN(C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)c1nc(C(=O)OCC)cs1 465450422 CHTCOYSYDCKSRO-UHFFFAOYSA-N 447.516 5.125 30 20 IKED COCc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)o1 467162141 YPXGVIKPIQOVDT-NRFANRHFSA-N 447.491 5.468 30 20 IKED COCc1ccc([C@H]2CCCN2C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)o1 468232570 ZWSCTBAAQWTNBM-MHECFPHRSA-N 429.520 5.572 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccccc1)CC(F)F 469689905 JAJLEPFKCSNSLR-UHFFFAOYSA-N 435.474 5.745 30 20 IKED C[C@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Cl)c(Cl)c1 469951999 DSTUXVSVVCDNAN-AWEZNQCLSA-N 430.335 5.319 30 20 IKED Cc1cc(N(CCC#N)C(=O)CNc2cc(NC(=O)C(C)(C)C)ccc2C)ccc1Cl 470524784 ZOQLDKSIMUTLCQ-UHFFFAOYSA-N 440.975 5.300 30 20 IKED Cc1ccc([C@H]2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)c(C)c1 471256634 IYNYWYXFIVITNS-QHCPKHFHSA-N 439.559 5.970 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 471318628 FJDFIUMTTSPCCH-WMZOPIPTSA-N 441.919 5.301 30 20 IKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)C[C@H](CC#N)c3ccccc3)c2)c1 474952720 JWWGHBZOKBFWGU-QFIPXVFZSA-N 426.520 5.343 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 476078165 GMMPHBBYYVCWMS-UHFFFAOYSA-N 449.601 5.677 30 20 IKED CN(C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1cc(Cl)ccc1C#N 479577103 JBQVQXLNKVBJJR-UHFFFAOYSA-N 434.710 5.769 30 20 IKED COc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1N1CCCCC1=O 480565300 FOMQHJUNXIAKJG-UHFFFAOYSA-N 425.488 5.003 30 20 IKED CC(C)c1ccc([C@@H](NC(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)C(C)C)cc1 480964302 PAWBKQSYYOJUQT-JTSKRJEESA-N 427.570 5.015 30 20 IKED CC(C)CN(C(=O)c1ccc(C(C)(C)C#N)cc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 483984640 ZBORLKKVMOKJTA-UHFFFAOYSA-N 448.548 5.822 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(C(C)(C)C)no2)nnc1-c1ccc(Br)cc1 484887361 ZOQFIGFXNADXSC-LBPRGKRZSA-N 448.390 5.427 30 20 IKED C[C@H](NC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1nc(C(F)(F)F)cs1 488606860 FFNSWDHIINEGII-KGFZYKRKSA-N 433.324 5.104 30 20 IKED CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1nnc2n1CCCCC2 489438402 GZJZSESYTOJDFD-NRFANRHFSA-N 444.539 5.250 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)N[C@H](C)c3cc4ccccc4o3)o2)cc1 489756492 KZIPROZUKXDSQX-CVEARBPZSA-N 449.532 5.406 30 20 IKED CN(Cc1cccc(OC(F)(F)F)c1)C(=O)Nc1cc(F)c(OC(F)F)cc1F 491273936 XFSOQANOUXHOSW-UHFFFAOYSA-N 426.288 5.129 30 20 IKED Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1 494004193 HZHKFFBOYRRDLG-NRFANRHFSA-N 431.952 5.518 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2C)s1 496429370 QAIWOHNBXGYQJG-UHFFFAOYSA-N 445.972 5.391 30 20 IKED Cc1ccccc1CNc1ccccc1NC(=O)c1occc1COc1cccc(C#N)c1 499128697 DXYWILHMFONULU-UHFFFAOYSA-N 437.499 5.903 30 20 IKED CCCc1c(NC(=O)c2sc3ccc(C#N)cc3c2C)cnn1-c1cccc(C#N)c1 504803623 ATYLEYLRIYKWRL-UHFFFAOYSA-N 425.517 5.344 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCOC[C@H]1c1nc2ccccc2s1 505310358 KCJCQJAGQAKJFY-YJBOKZPZSA-N 438.578 5.153 30 20 IKED N#C[C@H](NC(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1c(Cl)cccc1Cl 505546570 HMYJZFOXTYOXFL-KRWDZBQOSA-N 434.323 5.103 30 20 IKED CCCc1c(NC(=O)c2c(Br)sc(C)c2C)cnn1-c1cccc(C#N)c1 508006856 KAXJPDWAWZACED-UHFFFAOYSA-N 443.370 5.390 30 20 IKED C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 508903543 PAYRHBHUFHBXFE-GQIGUUNPSA-N 444.988 5.285 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC(=Cc4cccc(F)c4)CC3)s2)cc1 509662836 BDPXLOKKGTUHDN-UHFFFAOYSA-N 432.524 5.456 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)cc1 511406836 YKOIWUMOUBNJOW-ILPVEIHGSA-N 437.543 5.021 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 512546401 UTWMMEGLJQAEGP-CQSZACIVSA-N 445.500 5.044 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)ccc1OC1CCCC1 515540121 DQIRKXZLGGIVCQ-INIZCTEOSA-N 425.435 5.251 30 20 IKED CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)C(C)C)cc1 519442652 TWTGQWMXZDCYJV-FDDCHVKYSA-N 437.609 5.514 30 20 IKED COc1cc([C@@H](C)NC(=O)c2occc2COc2cccc(C#N)c2)ccc1OCC(C)C 522472398 PPHCWPCAZAPBAR-GOSISDBHSA-N 448.519 5.265 30 20 IKED COc1ccc(CCC2CCN(C(=O)c3occc3COc3cccc(C#N)c3)CC2)cc1 522478228 JDJWIJIPAXBKEP-UHFFFAOYSA-N 444.531 5.224 30 20 IKED Cc1nc(CSc2ccc(C(=O)Nc3cc(C#N)ccc3OC(F)F)cc2)cs1 524382723 RKFCXGQKXZTJGC-UHFFFAOYSA-N 431.489 5.469 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1 525530040 VXHPHBPLBPUQNU-UHFFFAOYSA-N 431.923 5.372 30 20 IKED C=CCOc1cccc(CNc2ccc(NC(=O)[C@H](C)n3nc(C)cc3C)c(Cl)c2)c1 532728255 OZVXMPHJLAORQP-SFHVURJKSA-N 438.959 5.530 30 20 IKED CN(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccc(Br)cn1 534914196 TXYFRQRVWVRKKF-UHFFFAOYSA-N 442.700 5.438 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1ncc(Cl)cc1Cl 540723687 FZQYOZAKUYWAGD-LBPRGKRZSA-N 426.394 5.655 30 20 IKED Fc1cccc([C@@H](NCc2nc(-c3cccc(C(F)(F)F)c3)no2)C(F)(F)F)c1F 542260315 WMFAHVYLJWCAPP-OAHLLOKOSA-N 437.290 5.427 30 20 IKED Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 543916787 HFAHDOUWRSFCBC-HXUWFJFHSA-N 434.569 5.095 30 20 IKED COc1ccc(Nc2ccccc2C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 553209750 YBURYDKZIKLRDB-UHFFFAOYSA-N 445.494 5.133 30 20 IKED C[C@H](NS(=O)(=O)Cc1ccc(C(F)F)cc1)c1ccc(-c2cccc(C#N)c2)cc1 559071454 WPGFSLZMQWUSFG-INIZCTEOSA-N 426.488 5.343 30 20 IKED N#Cc1ccc(NC2CC2)c(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c1 560705797 BZGOMDMOEWLKJB-UHFFFAOYSA-N 438.940 5.003 30 20 IKED N#CC[C@H](CC(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)c1ccccc1 561140997 KTYPFORVGRUOKI-CQSZACIVSA-N 432.427 5.130 30 20 IKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)c12 587988849 ZBWZJXUGKMMPFR-MRXNPFEDSA-N 428.448 5.437 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NC2(c3noc(C(F)F)n3)CCC2)c1 590432694 CIKSTVWHWNUCAI-UHFFFAOYSA-N 444.825 5.134 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)o1 603831694 SYEDXTWSDYJHAN-GOSISDBHSA-N 443.528 5.360 30 20 IKED COc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(OC)c1OC 604027052 ZPVFEYWCEYACHZ-UHFFFAOYSA-N 438.867 5.282 30 20 IKED Cc1ccc(C)c(OC2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)CC2)c1 604362157 OAMXMEIRPCKCCK-UHFFFAOYSA-N 442.519 5.438 30 20 IKED C=CCn1c(S[C@H](CC)c2ccc(F)cc2F)nnc1[C@@H]1COc2ccccc2O1 606150376 SRKRVTMKOMDTBB-VQTJNVASSA-N 429.492 5.498 30 20 IKED C=CCCCCCN(C)C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 606947412 NBKHVBSRQIPWSM-UHFFFAOYSA-N 435.355 5.851 30 20 IKED CC(C)(C)c1ccc(CCCC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 608942921 QTGICVQMIUJZDG-UHFFFAOYSA-N 431.580 5.056 30 20 IKED CCOc1ccc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 609079093 ZVKVTQCPWGHHOL-UHFFFAOYSA-N 429.520 5.508 30 20 IKED CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)NCc1ccc(C#N)cc1F 609254702 ZYXWHZTWOHAPQL-UHFFFAOYSA-N 425.504 5.685 30 20 IKED N#C[C@@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1c(Cl)cccc1Cl 609287098 NKISWXIBGGRVSF-LJQANCHMSA-N 439.302 5.632 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NCc3cccc(COCc4ccccc4)c3)cc2)nc1 609500635 DUHMAMLBOKKORY-UHFFFAOYSA-N 449.510 5.392 30 20 IKED N#C[C@H](NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1ccccc1Br 609624177 HEZJLJLPNSOQQO-SFHVURJKSA-N 442.700 5.284 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc3ccccc3n2)cc1Cl 609639262 VVWIXWUSEQIBSU-QFIPXVFZSA-N 426.907 5.865 30 20 IKED CNC(=O)c1ccc(Cl)c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 609723715 WRMFESQZPHUSFB-UHFFFAOYSA-N 440.286 5.269 30 20 IKED Cc1ccc(OC2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)cc1 609744245 UFDZBSGMHSCPRC-UHFFFAOYSA-N 427.504 5.734 30 20 IKED N#Cc1ccc(NC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)cc1Cl 609754029 SZMKOIRFMUSCOG-UHFFFAOYSA-N 427.938 5.256 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)CCSc3ncccc3Br)c2C#N)C1 609852101 ASPSTDDHOBBCOB-LLVKDONJSA-N 436.400 5.023 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)cc1 610152801 JKOQWWFRHVUYGF-IRXDYDNUSA-N 442.359 5.151 30 20 IKED Cc1cc(F)cc2c(N3CCN([C@@H](C)c4nc5ccccc5s4)CC3)c(C#N)cnc12 610245275 RMBHYKVUFBWLSQ-INIZCTEOSA-N 431.540 5.047 30 20 IKED N#CC1(C(=O)NC[C@@H](c2ccc(Cl)cc2Cl)c2c[nH]c3ccccc23)CCCC1 610422298 VNIMXHCSRQFKOV-SFHVURJKSA-N 426.347 5.807 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)Cc3nc(-c4ccc(F)cc4)cs3)cn2)c1 613889610 RYTBMDQRXHSRGC-UHFFFAOYSA-N 430.464 5.189 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1ccc(Cl)c(Cl)c1 615342341 DLRHDCZJRVGLEC-HNNXBMFYSA-N 425.429 5.653 30 20 IKED N#C[C@H](C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1nc(-c2ccccc2)cs1 642281369 DDBGASJTPHYTBO-OAQYLSRUSA-N 441.487 5.692 30 20 IKED O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674617464 WXYJEWUQSFUBMM-OAGGEKHMSA-N 426.376 5.439 30 20 IKED COC(=O)c1ccc(/C=C2\CCc3nc(-c4ccc(Br)cc4)sc3C2=O)o1 728439337 ZXMZPEDVBRFJGY-ZRDIBKRKSA-N 444.306 5.165 30 20 IKED C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(N2CCOCC2)cc1 729571560 ZCVQQVMZTLIEON-LJQANCHMSA-N 442.519 5.070 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)cc1 729789560 HMAJODJZMJWGGK-JWQCQUIFSA-N 441.506 5.077 30 20 IKED COCCc1ccc(OCCCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 730071733 QQBVMQVLWNGKKS-GOSISDBHSA-N 428.941 5.174 30 20 IKED Cc1c(Br)c2ccccc2n1CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 730417193 LWGKTXYKTOFUJY-CQSZACIVSA-N 442.313 5.338 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(Cl)c2c(c1)OCCO2 730994578 KDGWZABAACYFOA-UHFFFAOYSA-N 442.846 5.388 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(c2cc3ccccc3[nH]2)CC1 731031053 PHUUEIJBOGBNJU-GOSISDBHSA-N 432.593 5.380 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)/C=C/c1ccc(C(C)(C)C)cc1 731070470 LYIYOGRCVVFWSE-GPZRYRNASA-N 436.577 5.573 30 20 IKED Cc1sc(=O)n(CC(=O)Nc2ccccc2S[C@H](C)CC#N)c1-c1ccc(F)cc1 731332494 MMLKBVBTWCWCFD-CQSZACIVSA-N 441.553 5.057 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)OCc3cc(-c4ccc(Cl)cc4)no3)cc2)nc1 732398982 HDJNQYCORSJIKF-UHFFFAOYSA-N 431.835 5.411 30 20 IKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cc(C(C)C)ccc3c2Cl)c1 732708573 QFDPTASPKWQRLQ-KRWDZBQOSA-N 426.925 5.648 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 733637089 CGWNDMFYJPNMPP-UHFFFAOYSA-N 435.915 5.484 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 739153353 ASFNXVWSZOUGLM-MGPUTAFESA-N 430.470 5.356 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 739597765 DMFVXQUMGWJOJO-UHFFFAOYSA-N 447.560 5.241 30 20 IKED N#C[C@H](C(=O)Cc1c[nH]c2ccc(Cl)cc12)c1nc(-c2ccc(Cl)cc2)cs1 740536412 SKIITXWHSJMVOW-QGZVFWFLSA-N 426.328 6.017 30 20 IKED COc1ccc(SCCC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1OC 740785588 JQBISVVTHJXWMM-UHFFFAOYSA-N 438.574 5.103 30 20 IKED Cc1ccc(-c2cc(C(=O)OCc3nnc(-c4ccc(C#N)cc4)o3)c3ccccc3n2)o1 741834437 ZXWFTJGJHJDHTB-UHFFFAOYSA-N 436.427 5.082 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2CSC2=NCCS2)cc1 747358651 IEWZQTXVYFOXIM-HSZRJFAPSA-N 443.597 5.930 30 20 IKED C#CCN1CCC(C(=O)N(c2ccc(Cl)c(Cl)c2)c2nc3ccccc3s2)CC1 747625684 VWUGFXRGMDDRTF-UHFFFAOYSA-N 444.387 5.613 30 20 IKED CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2cc(C#N)cs2)NC(=O)N1Cc1cccs1 747959134 FGCDJCAZKQMUAU-NRFANRHFSA-N 448.573 5.169 30 20 IKED O=C(/C=C/c1ccc(F)c(C(F)(F)F)c1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 755602552 WKSUHFBZUDKITE-KRXBUXKQSA-N 440.336 5.077 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1cc(Cl)sc1Cl)C(=O)Nc1ccc(F)c(Cl)c1 756231753 NNACUTRRZNZLAE-SNVBAGLBSA-N 447.702 5.158 30 20 IKED CCc1cc(Oc2cnc(-c3noc(Cc4cccc(OCC#N)c4)n3)cn2)ccc1Cl 762366706 PMNCQNIXBMOWPZ-UHFFFAOYSA-N 447.882 5.028 30 20 IKED C[C@@H](C#N)Oc1ccc(CN2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)cc1 769383779 ITVIJCYPALZUPS-SFHVURJKSA-N 444.510 5.319 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc3ccccc3c2OC(F)F)ccc1OC 772979844 NOXSJAVSDFYNLL-QFBILLFUSA-N 440.490 5.982 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H](Cc2cccc(F)c2)c2cccc(F)c2)ccc1OC 772983801 APSXRDBPSOUYRN-DNQXCXABSA-N 436.502 5.728 30 20 IKED C[C@@H](N[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccc(C#N)cc1 775158604 UFBASRQLLMYGCZ-IVZQSRNASA-N 434.883 5.150 30 20 IKED COC1CCN(c2ccc(NC(=O)c3ccc(C4(C#N)CC4)cc3)cc2C(F)(F)F)CC1 776889274 IDADMSRQIDRKOG-UHFFFAOYSA-N 443.469 5.128 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1 778713315 DZCCCCGUCJBHKH-RXVVDRJESA-N 449.551 5.034 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)c3ccccc3NC(=O)OCc3ccccc3)CC2)cc1 782031589 FBIFLXZEJIKYNQ-UHFFFAOYSA-N 437.499 5.236 30 20 IKED Cc1oc(-c2ccccc2F)nc1C(=O)OC[C@H](C#N)Cc1ccccc1Br 786641055 QTKCANOHLSNZOC-AWEZNQCLSA-N 443.272 5.091 30 20 IKED CC[C@H](NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1ccccc1 787031743 MWNUIKWWWUFPTB-CTNGQTDRSA-N 433.895 5.117 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=S)Nc3ccc(Cl)cc3Cl)ccc21 787198494 KWABZXHLVSYLRK-UHFFFAOYSA-N 433.364 5.385 30 20 IKED O=C(Nc1cccc(/C=C2\COc3ccc([N+](=O)[O-])cc3C2=O)c1)c1ccccc1Cl 788360238 UZSKUWPERXZPSU-XNTDXEJSSA-N 434.835 5.159 30 20 IKED Sc1nnc(CSc2ccccc2)n1N=Cc1cc(Br)c(Cl)s1 790173060 CQCSEMCIWJHORI-UHFFFAOYSA-N 445.820 5.219 30 20 IKED C=CCn1c(-c2ccc(F)cc2)nn(CN(CCC(F)(F)F)CC(F)(F)F)c1=S 790411949 ITQBXKKYRLYVOR-UHFFFAOYSA-N 442.404 5.180 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)/C(=C\c2ccc(Cl)cc2)c2ccc(F)cc2)CC1 800111807 QZWMAFSCQKAKJL-QJOMJCCJSA-N 445.925 5.499 30 20 IKED N#C[C@H](C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)c1nc(-c2c(F)cccc2F)cs1 802059483 XGVRPTDQBJRHSG-PXAZEXFGSA-N 440.368 5.994 30 20 IKED CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[C@H](C#N)c1nc2ccccc2o1 805860369 DMZGTQFBGDGZBD-FXAWDEMLSA-N 433.508 5.296 30 20 IKED CC1(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)CCN(c2ccc(Cl)cc2C#N)CC1 805946960 AMRYGJGJIPOWDM-KRWDZBQOSA-N 441.000 5.449 30 20 IKED O=C(O[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)C1CCN(CC(F)(F)F)CC1 809128546 XTOZGPXLMUSBRT-CYBMUJFWSA-N 437.302 5.126 30 20 IKED CC(C)(C)OC(=O)N1CCCc2c(CNCc3ccc(C#N)cc3C(F)(F)F)cccc21 810157077 FUTCMHKIPPOCKG-UHFFFAOYSA-N 445.485 5.555 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1cc(F)ccc1F)[n+]1cc(O)cc(-c2ccccc2)c1 811724061 YOLUVJSZWYFRAF-UHFFFAOYSA-O 439.507 5.002 30 20 IKED Fc1ccc(-c2ccc(C=Nn3cnnc3SCc3ccc(Cl)cc3)s2)cc1 839403867 NVVSTZQYBZEYML-UHFFFAOYSA-N 428.945 5.974 30 20 IKED CC(C)(Oc1ccc(C#N)cc1)c1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1 904493770 PRNQVZWZPVPKHM-UHFFFAOYSA-N 435.487 5.320 30 20 IKED Cc1ccc(-c2csc3ncnc(NN=C4C(=O)Nc5c(F)ccc(Cl)c54)c23)cc1 914555449 RGFWEPWQLYXBPH-UHFFFAOYSA-N 437.887 5.228 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cc1 915353449 NNTZRBIPUUVOHT-FTJBHMTQSA-N 425.532 5.320 30 20 IKED CCCOc1c(Cl)cc(C=Nn2c(S)nnc2-c2ccccc2Cl)cc1OC 916541062 GDNNXVDDBPAUGB-UHFFFAOYSA-N 437.352 5.220 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl 916695661 BBOYNLUXHVOJAI-SFHVURJKSA-N 448.419 6.288 30 20 IKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)[C@H](C#N)c1nc2ccccc2[nH]1 916844648 SKRZGUOIRQPRDC-INIZCTEOSA-N 438.318 5.091 30 20 IKED Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1 916847729 UQAKSDIJAOBHFQ-YJBOKZPZSA-N 449.576 5.351 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C=C\c1ccc2cc(OC)ccc2c1 916904087 VYJHFKWEUHKVLW-ZFVPXTALSA-N 426.516 5.334 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3cccc(F)c3)n2)cc1 916913072 DCCKNHHTWCKTAO-OAQYLSRUSA-N 435.524 5.182 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cccc4ccccc34)cc2)CCC1 1788892276 XFPUMMJRMLYRNH-UHFFFAOYSA-N 442.559 5.570 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4sc(C)nc4c3)cc2)CCC1 1789047508 GGAOSZDYGSTUOK-UHFFFAOYSA-N 431.561 5.156 30 20 IKED Cc1cscc1C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790707902 WJONINPWHJOWCB-UHFFFAOYSA-N 429.545 5.184 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(F)cc(Cl)cc1Cl 1800576944 LELKTFMURRVXRZ-MUJYYYPQSA-N 441.374 5.377 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)Cc3cc(F)ccc3Cl)C2)CC1 1806549796 AEFIMEBYUPMSDE-OAQYLSRUSA-N 446.994 5.021 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)[nH]n1 1814440056 HZYXJFHASDHHHC-INIZCTEOSA-N 428.499 5.127 30 20 IKED CC[C@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C)cc(C#N)c3)[nH]n2)CC1 1822224342 MJIWLRBCSCENHM-LEDOBFOHSA-N 447.583 5.112 30 20 IKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1 1822399837 BGDMADWKCQCHQF-NRFANRHFSA-N 430.508 5.084 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccccc3)CC2)CC1 1823780549 FCXOXOLTUWPYKZ-LOSJGSFVSA-N 434.624 5.106 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 1829071288 RYMMEYXPVVUDRC-CCDWMCETSA-N 436.640 5.402 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(F)c(Cl)c2)CC1 1831376142 LAQJRZGVLUKRGL-QRWLVFNGSA-N 438.946 5.064 30 20 IKED COc1ccccc1-n1c(COc2ccccc2-c2ccccc2)nnc1SCCC#N 8753114 HRHRBKKWUGKASP-UHFFFAOYSA-N 442.544 5.528 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2cccc(O)c2)c(C)c1 10168361 URQMQNOSZNQFAT-UHFFFAOYSA-O 446.379 5.654 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1ccc(F)cc1F 11247772 XJCZRJFAFQYXNO-UHFFFAOYSA-O 437.944 5.581 30 20 IKED Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1cccc(Cl)c1)[n+]1cccc(O)c1 11257013 ZZSMLJPGIMVVFY-UHFFFAOYSA-O 432.352 5.346 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2cccc(O)c2)c(C)s1 11259014 KDHHDKYZSDGUDX-UHFFFAOYSA-O 431.990 5.371 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(C(C)C)cc2)cs1)c1ccc(F)cc1F 15189113 SVKMURHGMNZVLJ-PKNBQFBNSA-N 426.488 6.125 30 20 IKED CCc1ccc(N(C(=O)[C@H](C)Oc2ccc(C#N)cc2)c2nc3ccccc3s2)cc1 15318707 SLKKURPNBIABCW-KRWDZBQOSA-N 427.529 5.863 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(Br)ccc1F 33195751 YZYMCGRLYLHLKJ-YUMQZZPRSA-N 436.165 5.228 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N1CC=C(c2cccc3ccccc23)CC1 63690484 BDJLKUUKBQYHBH-UHFFFAOYSA-N 426.516 5.195 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(-c2ccccc2Cl)c1 64389724 XQQDIVISYZDQNF-UHFFFAOYSA-N 429.867 5.145 30 20 IKED COc1cc(C#N)ccc1OCC(=O)Nc1ccc(N[C@@H](C)c2ccccc2)c(Cl)c1 64658220 MIVRDLNIUZAQTI-INIZCTEOSA-N 435.911 5.411 30 20 IKED Cc1cc(C)n(-c2ccc(CNCc3ccc(O[C@@H](C)C#N)cc3)c(C(F)(F)F)c2)n1 237495856 ZFOLWHSOIRYIDJ-KRWDZBQOSA-N 428.458 5.089 30 20 IKED C[C@@H](NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1ccc(C#N)cc1 410260268 KGAGUVILFYUIQM-OAHLLOKOSA-N 448.320 5.064 30 20 IKED CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 410305729 JTZDCEJRWNRXQB-GOSISDBHSA-N 442.519 5.173 30 20 IKED C[C@@H]1CCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C4)C3)CC1(F)F 427676881 CUOOQNJCPVWRNU-JSZOFEHESA-N 447.410 5.612 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nnn1CC1CCCC1 434614854 BFKQSVDGAJSIOZ-QGZVFWFLSA-N 425.945 5.044 30 20 IKED CC(C)n1ncc2c(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc(-c3ccco3)nc21 436351207 BZLNYUVWNYBRPQ-NFBKMPQASA-N 439.519 5.184 30 20 IKED N#Cc1cccnc1OC1CCC(N[C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 437099194 QEXAVIDMPFBSSA-VHYCJAOWSA-N 432.955 5.265 30 20 IKED CO[C@@H](C)c1nc(CN2CCCN(Cc3ccc(-c4ccccc4C#N)cc3)CC2)cs1 437506244 HENWTEJGJUPKMB-FQEVSTJZSA-N 446.620 5.097 30 20 IKED N#Cc1cc(NC(=O)N2CC[C@H](CSc3ccccc3)C2)ccc1OCC(F)(F)F 437848561 WWQADHDQSJHMAQ-HNNXBMFYSA-N 435.471 5.145 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 438377651 LVUZWFJGFQOMBT-UHFFFAOYSA-N 445.386 5.170 30 20 IKED CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 438650664 ZFGNYNKTZOEIER-UHFFFAOYSA-N 445.420 5.203 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3c[nH]cc3-c3ccc4c(c3)OCCO4)c2)cc1 460873851 GHEXPFJYNKKEON-UHFFFAOYSA-N 437.455 5.369 30 20 IKED CC(C)c1c(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cnn1-c1ccc(Cl)cc1 464406296 DAQRAEYKWRUBRN-MRXNPFEDSA-N 432.833 5.553 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)cc1 464861531 CLRRLXKQPJORFN-UHFFFAOYSA-N 448.482 5.559 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc2cc(F)ccc2o1 464911055 QLIYXZABVQLLNZ-UHFFFAOYSA-N 430.892 5.269 30 20 IKED C[C@@H](NC(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1ccc(C#N)cc1 465659563 NRHTYLDTYJBJPA-OAHLLOKOSA-N 440.425 5.325 30 20 IKED Cc1ccc(N2CCC(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)nc1 465961508 UWHNTGZZYDTWTF-UHFFFAOYSA-N 441.535 5.153 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](c1ncc(C)s1)C1CC1 466120014 ZEDVNOTUOMTTBZ-QGZVFWFLSA-N 438.366 5.202 30 20 IKED COc1cccc(C[C@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2ccccc2)c1 469222221 KOTYAGSMKQETIB-SANMLTNESA-N 439.559 5.674 30 20 IKED N#CCCCn1cc(C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)c2ccccc21 469417171 ZQNJJAHQSQQXHB-JGCGQSQUSA-N 447.604 5.779 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3C(F)(F)F)ccc21 469968991 IGDQXJKZUDEZPQ-RTBURBONSA-N 441.453 5.031 30 20 IKED C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 470553048 HRPZUQVTGHYBMK-UZUQRXQVSA-N 434.515 5.024 30 20 IKED COc1ccc(C[C@H](NC(=O)C[C@@H](CC#N)c2ccccc2)c2ccc(OC)cc2)cc1 474288010 ZJRUYFDOMPLPHU-BVAGGSTKSA-N 428.532 5.191 30 20 IKED C=CCN(Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)Cc1ccc(Cl)s1 477684216 WZNHBULACJDNHX-UHFFFAOYSA-N 439.027 5.117 30 20 IKED O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CCC(F)(F)C1 480728436 KZNGRHNHLIWKRD-CPCISQLKSA-N 443.256 5.879 30 20 IKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(Sc2ccc(OC)cc2)cc1 480944814 HUCNPAPNFWTJBD-UHFFFAOYSA-N 438.574 5.061 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2OC(F)F)nnc1-c1ccccc1C 481390818 MSUJRAAERLIIJV-HNNXBMFYSA-N 444.507 5.160 30 20 IKED C=CCCc1ccccc1NC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 483118241 NCZVYKVYFQOMOR-UHFFFAOYSA-N 443.345 5.092 30 20 IKED N#C[C@H](C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1cnc2ccccc2n1 483196298 LHMQLBFABFGYBK-IBGZPJMESA-N 426.457 5.179 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)Nc2ccc(C(C)(C)C#N)cc2)nc1-c1ccccc1 483438029 ADOFCWQGVGGJLU-JOCHJYFZSA-N 442.563 6.635 30 20 IKED CCCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 483633501 GQHDEKRHQOUBCX-CUNXSJBXSA-N 429.539 5.945 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(Br)c(O)c1 484948171 XIVCGFXBGWZLPZ-UHFFFAOYSA-N 437.293 5.166 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(Cl)ccc3F)s2)c(C(F)(F)F)c1 487450500 PTFJFBCSMTYECL-UHFFFAOYSA-N 439.821 5.669 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)s2)cc1 487466846 CAIYAYNTAMJUNI-UHFFFAOYSA-N 438.512 5.110 30 20 IKED C=CCn1c(SCC(=O)N(CC)[C@@H](C)c2ccc(F)cc2)nnc1-c1cccs1 489434188 ICHFRCROTXWGBG-HNNXBMFYSA-N 430.574 5.034 30 20 IKED C=CCOc1ccc(C(=O)N(CC)[C@H](c2ccc(Cl)cc2)c2cccnc2)cc1OC 496468172 KPXXOVJIERFSCG-XMMPIXPASA-N 436.939 5.560 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(COCc2ccccc2)cc1 500800001 AAGHPTBGJBRCAE-UHFFFAOYSA-N 440.996 6.016 30 20 IKED Cc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cnn1CC(C)C 501117998 DJOVDUMVOSUSFR-UHFFFAOYSA-N 447.486 5.038 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3ccccc3CN3CCc4ccccc43)CC2)cc1 503616961 WRTLOGUQEHRQFW-UHFFFAOYSA-N 434.543 5.442 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)[C@@H]3CC=CC[C@@H]3c3nc4ccccc4s3)CC2)cc1 503892274 NQNAJKNFBFTQFV-FCHUYYIVSA-N 425.557 5.534 30 20 IKED C[C@@H](NC(=O)c1ccc(-c2noc(C(F)F)n2)cc1)c1ccc(-c2cccc(C#N)c2)cc1 504226278 NEYRDCDSTXWZOL-OAHLLOKOSA-N 444.441 5.704 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H](Oc4ccccc4Cl)C3)cc2)nc1 504662659 NEFYLHHBGITHPF-HXUWFJFHSA-N 433.895 5.083 30 20 IKED COCCSc1ccc([C@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 504694226 FWDISVJMUCWKLU-SFHVURJKSA-N 448.613 5.939 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 505016284 FCLHQFOTZJPSKC-UHFFFAOYSA-N 429.923 5.480 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(-c4ccc(F)c(F)c4)s3)n2)cc1 505435170 SRBORJVWIOVNMT-OAHLLOKOSA-N 437.496 6.010 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cscc2Br)cc1Cl 506476778 JREDXXWVYGATKM-OAHLLOKOSA-N 431.742 6.072 30 20 IKED CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)o1 509949416 RRQCYIKAXQEBDG-QRQCRPRQSA-N 446.642 5.096 30 20 IKED C[C@@H](CC#N)NC(=O)c1cc(/C=C\c2cccs2)nc2ccc(Br)cc12 512013183 ZDSGAZLWCWCWBN-SZZPACECSA-N 426.339 5.261 30 20 IKED CC(=O)c1ccc(OCCCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 512329017 PKJOEBSGTKKLPD-UHFFFAOYSA-N 444.506 5.288 30 20 IKED CC1CCN(Cc2csc(NC(=O)c3cccc(COc4ccccc4C#N)c3)n2)CC1 513730860 OYJUWVFICXCWJM-UHFFFAOYSA-N 446.576 5.078 30 20 IKED COc1ccc2cc(CN(C)C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)ccc2c1 515218850 ZFDXJSBDGVDXKE-UHFFFAOYSA-N 442.544 5.431 30 20 IKED C=CCn1c(SCC(=O)N(CC)c2cccc(F)c2)nnc1-c1ccc(Cl)cc1 515507069 AYKMSLJDUANOSM-UHFFFAOYSA-N 430.936 5.069 30 20 IKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2cccs2)c1)c1nc2cc(Cl)ccc2s1 515539997 LFEBPJVPAYVLPK-HNNXBMFYSA-N 437.933 5.754 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 516706088 IHDUAFXEQHJUGK-OAHLLOKOSA-N 440.425 5.145 30 20 IKED CCn1ncc2c(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)cc(-c3ccccc3)nc21 518320425 KRBGGPUINWWAPW-OAQYLSRUSA-N 449.436 5.132 30 20 IKED Cc1c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cccc1OCC(F)(F)F 518381886 HMMDVRRYUGSLMW-UHFFFAOYSA-N 440.421 6.047 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3C(=O)c3cccs3)n2)cc1 518516510 HWZDRLWQCHZCTK-IBGZPJMESA-N 444.537 5.601 30 20 IKED Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c(Br)c1 520928947 KMSGGBQKUDTQHU-LSDHHAIUSA-N 433.371 5.558 30 20 IKED C=CCN(C(=O)Nc1cc(Cl)ccc1SCC)[C@@H](C)c1cccc(-n2cnnn2)c1 521810599 VRTZQFMVMGGZTK-HNNXBMFYSA-N 442.976 5.209 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)NCCCCN2CCC(Cc3ccccc3)CC2)cc1 521903190 GJOOCEOCVFNRJB-UHFFFAOYSA-N 432.612 5.344 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)cc1 522320714 IVBMVICJEFYYMS-UHFFFAOYSA-N 445.445 5.196 30 20 IKED C=CCN(C(=O)c1ccc(OC)cc1Br)c1nc(-c2ccccc2)cs1 523379389 DUBLMGSXIIFAMJ-UHFFFAOYSA-N 429.339 5.414 30 20 IKED Cc1ccc2oc(CN(Cc3ccco3)C(=O)CCc3c(C)nn(CCC#N)c3C)cc2c1 523532328 DYOXMFCSKYSNDI-UHFFFAOYSA-N 444.535 5.223 30 20 IKED CC(C)Oc1ccc(CC[C@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 524565903 JIFUNKLSWIQVCB-MOPGFXCFSA-N 425.598 5.868 30 20 IKED CC[C@](C)(NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1nccs1 525347944 LNDKQXMCKBZZMT-QFIPXVFZSA-N 440.956 5.694 30 20 IKED C[C@@H]1SCCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)[C@@H]1c1ccccc1 532968009 OAKQSYIBNFRPMU-STSQHVNTSA-N 425.623 5.198 30 20 IKED N#CCC[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccccc1 533360236 GKQZYDFXRWXAGS-FQEVSTJZSA-N 440.297 5.752 30 20 IKED CCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cnn1-c1ccccn1 533955105 ACTWFRDHEJCXCG-MRXNPFEDSA-N 433.924 5.097 30 20 IKED N#CCSCC(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 534241426 GEPXSYGSDPLUES-UHFFFAOYSA-N 443.288 5.258 30 20 IKED N#C[C@H](NC(=O)c1ccccc1OCc1ccncc1)c1ccc(OCc2ccccc2)cc1 534330146 DQJCQRXYWGJYBI-SANMLTNESA-N 449.510 5.234 30 20 IKED Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 539303502 CKXJJWWCKCGPKU-IRLDBZIGSA-N 433.943 5.704 30 20 IKED C[C@H](NC(=O)c1ccc(CSc2nc[nH]n2)cc1)c1ccc(-c2cccc(C#N)c2)cc1 541132506 XIYWPQPUEVZMNR-KRWDZBQOSA-N 439.544 5.127 30 20 IKED N#CCCN(C(=O)CCc1nc(-c2ccccc2OCC2CCCC2)no1)c1ccccc1 547196023 RDVCOIHQWIRQQM-UHFFFAOYSA-N 444.535 5.185 30 20 IKED CCN(CCC(=O)Nc1ccccc1C#N)[C@H]1CCSc2ccc(Br)cc21 552403351 DMGHHKJZLADJMW-IBGZPJMESA-N 444.398 5.208 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 554570142 MXCXVUDATIGLDI-UHFFFAOYSA-N 442.363 5.208 30 20 IKED COc1cc(CN2CCC(OC3CCCCC3)CC2)ccc1OCc1cccc(C#N)c1 568320807 MKMNXYUPCMINJQ-UHFFFAOYSA-N 434.580 5.460 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@H]1c1nnc(C2CCC2)o1 568677046 HMNVQAHFHDSOOU-YJBOKZPZSA-N 425.558 5.348 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@H](c3ccc(F)cc3)c3cccs3)cc2)ccn1 571812528 NWAAJNGFDBYAJJ-HSZRJFAPSA-N 444.491 5.857 30 20 IKED COc1cccc([C@H](NCc2ccc(C#N)cc2C(F)(F)F)c2cc(F)ccc2OC)c1 574732875 VJANDBPLNKVLDT-QHCPKHFHSA-N 444.428 5.613 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(C(F)(F)F)cc1 583114047 ZFZBBNZAJWJINM-AWEZNQCLSA-N 426.398 5.647 30 20 IKED COc1cc(CNC(=O)N(Cc2ccco2)Cc2cc3cc(C)ccc3o2)ccc1C#N 584562315 BQDBKWTXHXXIAX-UHFFFAOYSA-N 429.476 5.127 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCCC[C@H]3c3nnc(C4CCC4)o3)cn2)c1 588993289 FKLQEGHXGALDER-FQEVSTJZSA-N 444.495 5.155 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(Cc4ccc(F)cc4)n3)n2)cc1 589019581 XCPFTSPFJXKXMA-GOSISDBHSA-N 444.516 5.358 30 20 IKED CC(C)N(Cc1ccc(F)cc1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 590979303 GDJXNCAKLACWFW-KBPBESRZSA-N 428.392 5.655 30 20 IKED Cc1nc(COc2ccccc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cs1 603765223 SPEAZZNDHQGWIY-UHFFFAOYSA-N 442.500 5.342 30 20 IKED CN(Cc1ccc2c(c1)OCCO2)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603829131 ZKYTVUDGPQGTGY-OAQYLSRUSA-N 447.922 5.431 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)cc1 604085175 WJVMJBYBRCULDV-UHFFFAOYSA-N 430.483 5.201 30 20 IKED N#C[C@@H](C(=O)c1ccc(NC(=O)CSc2cccs2)cc1)c1ccc2ccccc2n1 605075139 RFWFJMYQKBMEBV-LJQANCHMSA-N 443.553 5.517 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3cc(-c4ccccc4)nc4c3cnn4C(C)C)[nH]c12 605363171 MZKXXKXKBFBJIV-IBGZPJMESA-N 434.503 5.354 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 609427653 XXTYSCHXUMWXJW-KBPBESRZSA-N 448.375 5.379 30 20 IKED C[C@H](Oc1ccccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccccc1 609666868 IMAWBESXFLQPHL-NRFANRHFSA-N 441.531 5.492 30 20 IKED Cn1c(CCNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)nc2cc(F)ccc21 609732821 JSNNKQLHTHZJLD-UHFFFAOYSA-N 448.885 5.002 30 20 IKED Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 610321286 OWUDYCCCPGCJQF-BWKNWUBXSA-N 442.519 5.343 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)c(Cl)c1 613547129 OGOGBTNKYNRMON-UHFFFAOYSA-N 440.334 5.026 30 20 IKED CCOc1ccc(NC(=O)c2ccc(NC(=O)N[C@@H]3CCc4cc(C#N)ccc43)cc2)cc1 618744317 SRFZDOAKXDPJHL-XMMPIXPASA-N 440.503 5.018 30 20 IKED CCOCCOc1ccccc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 623173853 GIXFYASCYPZFAY-HNNXBMFYSA-N 434.439 5.220 30 20 IKED C=CCn1c(SCC(=O)N2CCC[C@H](CC)C2)nnc1-c1ccc(Cl)cc1Cl 642303307 ITBLNFSLHCYEDZ-AWEZNQCLSA-N 439.412 5.179 30 20 IKED N#C[C@@H](C(=O)Cc1cccc(Br)c1)c1nc(-c2c(F)cccc2F)cs1 726329338 RMFVTSGKXJFMOC-ZDUSSCGKSA-N 433.277 5.270 30 20 IKED N#Cc1ccc(NC(=S)/C(=C(/O)c2cc3ccccc3o2)[n+]2ccccc2)cc1Cl 726570973 OXZVICCOWJXYFT-UHFFFAOYSA-O 432.912 5.569 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1csc(-c2ccc(OCCC)cc2)n1 726755627 FCYIVMGQWMMCHQ-UHFFFAOYSA-N 442.544 5.348 30 20 IKED Cc1oc(-c2ccsc2)nc1CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 727050111 QBGBOUSNPMNPLW-QGZVFWFLSA-N 430.514 5.126 30 20 IKED COc1ccc(-c2noc(CNc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)n2)cc1 728053218 VJCSBJPTGKOWAD-UHFFFAOYSA-N 446.894 5.461 30 20 IKED Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)c(C)c1 728372532 ODBQXABEHIFKBM-FQEVSTJZSA-N 429.520 5.075 30 20 IKED Cc1nc(CCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)oc1-c1ccccc1 730397041 NQVRWTWRDQFFGV-MRXNPFEDSA-N 449.482 5.861 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1F 730473165 FNBBQATWUUKCRG-NRFANRHFSA-N 445.494 6.080 30 20 IKED CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 730994238 HGWBKFBZAPJRCY-QGZVFWFLSA-N 438.553 5.335 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2c(s1)CCCCC2 731060108 GYSDNPHZGUUULX-HNNXBMFYSA-N 428.579 5.064 30 20 IKED N#Cc1ccccc1NC(=S)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 733213772 ZSOQTWMYGKXKQT-UHFFFAOYSA-N 432.402 5.712 30 20 IKED CC(=O)Nc1ccc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1C 733623719 QPKNQINZFCQDRX-UHFFFAOYSA-N 428.492 5.243 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC2)c1 733770681 JVAPQTJSDFENBG-HXUWFJFHSA-N 448.954 5.323 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)c1 735927105 MBVBLVDWQUTYLS-UHFFFAOYSA-N 438.483 5.278 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 741636706 RAFOGEOCYUNEOC-UHFFFAOYSA-N 435.307 5.449 30 20 IKED Cc1cccc(C2(O)CCN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)CC2)c1C 742102575 RTYXYVSPMOECQF-UHFFFAOYSA-N 425.532 5.043 30 20 IKED Sc1nnc([C@@H]2CCCCO2)n1N=Cc1ccc(-c2ccc(Cl)c(Cl)c2)s1 743452352 OUXDCGDXEBDKDE-HNNXBMFYSA-N 439.393 5.726 30 20 IKED N#C[C@@H](C(=O)CCCOc1ccc(F)cc1F)c1nc(-c2c(F)cccc2F)cs1 743469313 PAKIMURLJHLUCT-ZDUSSCGKSA-N 434.414 5.402 30 20 IKED C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1 743998744 CKFAHHUQYBIFMU-UHFFFAOYSA-N 425.463 5.127 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C\c2ccc(Cl)nc2)C(=O)c2ccccc2)c(Cl)c1 748999220 PURAMGYBOUWIIN-PDGQHHTCSA-N 425.315 5.910 30 20 IKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccnc(Oc2ccccc2)c1 749337876 IUWMMXLEJYJSTO-SFHVURJKSA-N 426.259 5.142 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(Cl)c(OCCC)c(OCC)c1 749361027 GLSBTIGDXDTCLF-UHFFFAOYSA-N 437.927 5.277 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3c(-c4ccccn4)nc4ccccn34)c2)cc1 751306339 TZPWQTASOYSWCD-UHFFFAOYSA-N 445.482 5.099 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C[C@@H](C)c1ccc(F)cc1F 751861152 HZONJWHNBMPGDI-HUUCEWRRSA-N 432.492 5.035 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(CCC(F)(F)F)cc1 752476697 AKVPTWPINPCDHG-INIZCTEOSA-N 442.409 5.457 30 20 IKED C#CC[C@@H](NC(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1)c1ccccc1 757772440 PBPQMVZYZZELMX-AREMUKBSSA-N 428.532 5.180 30 20 IKED CC(C)c1ncc(/C=C2/CC3(CCOCC3)C/C(=C\c3cnc(C(C)C)s3)C2=O)s1 758434228 OSTDBKWVZHCVSL-BUOZRGFLSA-N 442.650 6.473 30 20 IKED N#Cc1ccc(/C(O)=C(/C(=S)Nc2ccc(Cl)cc2)[n+]2ccc3c(c2)CCCC3)cc1 762445285 LZQZNXXTMHFWOG-UHFFFAOYSA-O 446.983 5.701 30 20 IKED C[C@@H](NC(=S)Nc1ccccc1C#N)c1nc(-c2ccc(Br)cc2)cs1 763162994 PQACHNYSWSTNAF-GFCCVEGCSA-N 443.395 5.492 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccccc1C(=O)c1cccs1 764753395 NOSGYFNAJZIVTE-UHFFFAOYSA-N 446.315 5.307 30 20 IKED N#Cc1c(NC(=O)c2cnn(-c3ccccc3)c2Br)sc2c1CCCCC2 764952728 FWRUWGYHAKEJET-UHFFFAOYSA-N 441.354 5.089 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2ccn(Cc3ccccn3)n2)cc1Cl 765241038 GWZYETRJKQSJHM-NRFANRHFSA-N 442.910 5.279 30 20 IKED COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SCC2(C#N)CC2)cc1Cl 766780905 AVVLRVPBFDYZKV-MHWRWJLKSA-N 429.954 5.191 30 20 IKED CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3cn(CCCC#N)c4ccccc34)ccc21 767831250 HPALOLGDJIHUQS-UHFFFAOYSA-N 444.535 5.495 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1SCC[S@@](=O)c1cc(Cl)ccc1Cl 777569236 LXTQTANMHNRNPI-RUZDIDTESA-N 425.284 5.179 30 20 IKED N#Cc1cccc(COc2ccc(NCc3cnc(-c4ccncc4)s3)cc2Cl)c1 779595018 CCIQXHMZQXEVJE-UHFFFAOYSA-N 432.936 5.921 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 780668131 RAGJDXCTUIFBDN-HNNXBMFYSA-N 448.350 5.607 30 20 IKED C=CC[C@@]1(C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)CCCN1C(=O)OC(C)(C)C 790650442 JMSRMUGKLDVHAE-QXNWPYRLSA-N 448.629 5.018 30 20 IKED C#CCC1(C(=O)NCc2ccc3c(c2)CN(C(=O)C2(CC#C)CCCCC2)C3)CCCCC1 793849100 AKNDVEJZOAPIBR-UHFFFAOYSA-N 444.619 5.093 30 20 IKED CCOC(=O)[C@@H]1C/C(=C/c2cccc3c2N(C(=O)OC(C)(C)C)CC3)C(=O)c2ccccc21 802707088 FASWBZROTGJFOB-JXTFVVQCSA-N 447.531 5.301 30 20 IKED COc1ccc2cc(NC(=O)C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)ccc2c1 807008256 ZOPPZHZWEDFWFR-UHFFFAOYSA-N 437.455 5.090 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 809969266 PVWKCYDGFIRYBX-QAQDUYKDSA-N 443.975 5.166 30 20 IKED CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NCc2cc(C#N)ccc2Br)cc1 864033620 YTFLRGUTXIDMGN-AZUAARDMSA-N 442.357 5.313 30 20 IKED Cc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@H](C)c2cc(C)sc2C)c1 914690840 HBGLSZPIAKRWEJ-FOIQADDNSA-N 441.622 5.035 30 20 IKED Cc1oc(-c2cccs2)nc1CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915105049 YMJCUBJNSCYGCT-LBPRGKRZSA-N 447.463 5.759 30 20 IKED N#Cc1cccc(COc2cccc(/C=C3/NC(=S)N(c4ccccc4Cl)C3=O)c2)c1 915987846 LHWWPEPBAHYNTJ-FYJGNVAPSA-N 445.931 5.053 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)n1C1CCCCC1 916888026 SSAQCODPRMXPKH-HXUWFJFHSA-N 445.535 5.886 30 20 IKED Cc1cc(CC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(Cl)cc1 916910845 JDLPIBGDBIHAPY-LJQANCHMSA-N 440.330 5.291 30 20 IKED N#C[C@H](C(=O)CCCOc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997556 WKFXDMSJBWDISK-QGZVFWFLSA-N 431.344 6.152 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc2c(c1)Cc1ccccc1-2)[n+]1ccc(CCC)cc1 917610121 PWHZIEFCUNIEBB-UHFFFAOYSA-O 441.620 5.875 30 20 IKED N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccc2c(c1)Cc1ccccc1-2)[n+]1ccccc1 917612459 RRAYDXHOTQMMLF-UHFFFAOYSA-O 446.555 5.740 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCC[C@H]2c2ccccn2)c1=S 919950311 DTPSELPETDQJRQ-FQEVSTJZSA-N 441.988 5.022 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Sc3ccccc3Cl)n2)cc1 920139374 SNUKKEDZYNRGOS-CJNGLKHVSA-N 428.966 5.829 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)n1 920328483 SFTUQOHFHLYHRG-LOWQCSRCSA-N 442.949 5.591 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=S)Nc2cc(Cl)cc(Cl)c2)cc1 920994321 PQWQPMCQZNWIJP-UHFFFAOYSA-N 444.362 6.403 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCC(F)(F)F)cc3)CCC2)c1 1787872626 REZOZHGLZYHGJC-MRXNPFEDSA-N 443.469 5.404 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3c(F)ccnc3Cl)CCC2)cc1 1789453317 VQKARNLXHMRYTK-SFHVURJKSA-N 441.934 5.390 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccncc4-c4ccccc4)cc3)CCC2)C1 1789932654 YZWJLKVPGDDISJ-UHFFFAOYSA-N 437.543 5.463 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2ccccc2C)[C@H]1c1cccnc1 1810501276 AQFULRQCDWWFRM-RSXGOPAZSA-N 447.623 5.021 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCCCC2(F)F)[nH]n1 1814440277 NSGZMFVUHRRQPO-FUHWJXTLSA-N 436.547 5.220 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3cnccc3c2)n[nH]1 1818641540 DLQKSLTVVOIBOW-QHCPKHFHSA-N 443.551 5.032 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc(C(F)F)c2)CC1 1828821674 PKUMSOPODNVTDQ-IRLDBZIGSA-N 445.554 5.021 30 20 IKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(C)(C)C)s2)CC1 1831851178 YXSCWNCHENGKMA-FQEVSTJZSA-N 428.642 5.082 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2oc3ccccc3c2C)CC1 1832028338 LQWBFTDLQWKFTP-QHCPKHFHSA-N 434.580 5.168 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 1832034116 LHJPVVMIFPITNV-QLBJFCOMSA-N 428.661 5.262 30 20 IKED Cc1ccc(N/C(S)=C(\C(=O)c2cc(C)sc2C)[n+]2ccc(C(C)(C)C)cc2)cc1 10173333 BYWDWZXWLFWOCR-UHFFFAOYSA-O 437.654 6.309 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2Cl)nnc1-c1cccc(C)c1 10241052 GDRUSPROGSNHBJ-INIZCTEOSA-N 426.973 5.062 30 20 IKED Cc1ccc2nc(-c3ccccc3)cc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3C#N)c2c1 21461137 GMYCFTVQTQSCLY-SFHVURJKSA-N 435.483 5.266 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(OCC)cc2)=C(/S)Nc2cccc(C)c2C)cc1 22729394 AQFJZTLJDIVOFS-UHFFFAOYSA-O 447.624 5.993 30 20 IKED C=CCn1c(SCc2cc(=O)oc3cc(CC)c(Cl)cc23)nc2sccc2c1=O 36812566 MCJATNNAAJGYNX-UHFFFAOYSA-N 444.965 5.259 30 20 IKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2cc(Cl)ccc2Cl)[n+]2ccccc2)c1 71793493 OAJBYUJICIQICY-UHFFFAOYSA-O 430.380 5.949 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCCOc3ccc(Cl)cc3)c2)cc1 71923456 GWJUTBBXSKRLQJ-UHFFFAOYSA-N 435.911 5.186 30 20 IKED CC[C@@H](C)[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1nc2ccccc2[nH]1 108286409 CXHCFSSZNTVJKF-WAIKUNEKSA-N 428.492 5.124 30 20 IKED N#Cc1cccc(COc2cccc(N[C@@H](C(=O)N3CCCCC3)c3ccccc3)c2)c1 108418299 RQCORMUFLJCXOT-AREMUKBSSA-N 425.532 5.303 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 111893637 BDHFLADVWPHTNJ-UHFFFAOYSA-N 449.491 5.340 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 116504205 QQZMGERAXUJQPJ-UHFFFAOYSA-N 433.515 5.030 30 20 IKED N#CCCn1cc(CNCC2CCN(Cc3ccccc3Cl)CC2)c(-c2ccccc2)n1 237878591 CZNBMARTSJBJNY-UHFFFAOYSA-N 448.014 5.119 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)NCc3ccc4ccccc4c3)s2)cc1 303294944 XUIHIMGFHLVGHJ-UHFFFAOYSA-N 431.546 5.177 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(C(=O)NC4CCCC4)cc3)c2)cc1 303626011 NVVZFTVLKBBPTD-UHFFFAOYSA-N 439.515 5.062 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccc3c(c2)nc(C)n3Cc2ccsc2)cc1 409525228 IZLAQEOUVZLFSG-UHFFFAOYSA-N 444.560 5.414 30 20 IKED C[C@@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@@H](c2ccccc2)O1 409782925 ZZGOQBVROHLFCW-IBVKSMDESA-N 441.531 5.326 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)NC12CCC(C(F)(F)F)(CC1)CC2 426250834 JGLYSYQMTUZHGZ-ODIFPOPNSA-N 426.376 5.774 30 20 IKED N#CCCn1ncc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c1-c1ccccc1 428310872 JEBZTXAIRMLOLF-UHFFFAOYSA-N 439.953 5.554 30 20 IKED CCOc1cc(Br)c(NC(=O)N(CCC#N)CCC(C)C)cc1OCC 429045002 KUBNTHBQBKRMCX-UHFFFAOYSA-N 426.355 5.040 30 20 IKED CCOc1ccccc1Oc1ccc(CNC(=O)N[C@@H](CCC#N)c2ccccc2)cn1 429072205 VHUUDRMOYUWSRV-NRFANRHFSA-N 430.508 5.117 30 20 IKED CCCc1nc(C)c(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)o1 432856423 WSUNZVYNNSSCRT-UHFFFAOYSA-N 438.915 5.361 30 20 IKED COC(=O)[C@@H](Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)c1cccnc1 434878404 DTLGZWVYJVHSJB-FQEVSTJZSA-N 427.382 5.091 30 20 IKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C 435004984 WAZIPKWWXFCNMN-GOSISDBHSA-N 444.535 5.140 30 20 IKED COc1ccccc1O[C@H](C)CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 437970695 CIYLHEGTXXPSBV-LJQANCHMSA-N 445.519 5.043 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC(Cc2ccc(F)c(F)c2)C1 438584046 GQCYDDBSXVRSBJ-UHFFFAOYSA-N 447.485 5.430 30 20 IKED CCCc1c(NC(=O)N[C@H](c2ccccc2)c2ccco2)cnn1-c1cccc(C#N)c1 439662248 IWRBUQARNRIESP-XMMPIXPASA-N 425.492 5.201 30 20 IKED Cc1oc(-c2ccccc2)nc1CN(Cc1ccc(C#N)cc1)c1ccc2nc(O)[nH]c2c1 440734789 UMJCMFYFVHCJSK-UHFFFAOYSA-N 435.487 5.310 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 441791780 VXWVMGQGZIAYPJ-FQRUVTKNSA-N 434.584 5.460 30 20 IKED C=C(C)COc1cccc(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)c1 444830843 YZBDMCSRHKTYIL-UHFFFAOYSA-N 433.430 5.127 30 20 IKED COCCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 446127738 STVUJGVXTZSDNK-STWLZBDKSA-N 433.552 5.001 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(OC3CCCC3)c(F)c2)cc1C 461361426 MRDMHOHRSJJQAL-UHFFFAOYSA-N 446.526 5.793 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c1 462914616 UAKUSECKKYESLJ-URXFXBBRSA-N 432.907 5.654 30 20 IKED N#C[C@H](NC(=O)c1sc2ccccc2c1Br)c1cccc(C(F)(F)F)c1 464394549 AZAMLWMNFRFCOJ-ZDUSSCGKSA-N 439.256 5.677 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)Cc1ccc(C#N)cc1 466911505 TYNNYHMKDMAMFQ-CYBMUJFWSA-N 440.366 5.173 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1nc(C2CCCCC2)no1 467042821 COYSGSIABOOLDT-QGZVFWFLSA-N 445.523 5.972 30 20 IKED CC(C)c1oc([C@@H]2CCCN2CC(=O)Nc2cc(Cl)ccc2C#N)nc1-c1ccccc1 471183775 ZONSTJPHSNKXFN-NRFANRHFSA-N 448.954 5.766 30 20 IKED CN(C(=O)C[C@H](CC#N)c1ccccc1)[C@@H]1CCSc2ccc(Br)cc21 475661706 MZNFDWBRXUTGLX-QFBILLFUSA-N 429.383 5.532 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 476124261 STVCNKNBWMJNKF-UHFFFAOYSA-N 428.488 5.180 30 20 IKED N#Cc1cccc(-c2cnc(CNC(=O)c3ccc(-c4ccccc4C(F)(F)F)o3)[nH]2)c1 476307529 IKSJUZVVGGHIDY-UHFFFAOYSA-N 436.393 5.157 30 20 IKED N#Cc1cc(C(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)ccn1 476594935 BWPQRWISTDDZTD-ZDUSSCGKSA-N 441.253 5.024 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)c1ccc(Sc2ccc(Cl)cc2)o1 477809671 GLCYPJUJGMXICT-UHFFFAOYSA-N 428.897 5.233 30 20 IKED Cc1c[nH]nc1NC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 481441197 LRTYHENJXWYUPR-SNVBAGLBSA-N 434.262 5.181 30 20 IKED Cc1c([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cnn1-c1ccc(F)cc1 481658076 OKACBVLZMBSCNU-SFHVURJKSA-N 433.531 5.120 30 20 IKED C[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1cccc(OCc2ccccn2)c1 483046910 YCNLSICVJACYAT-HXUWFJFHSA-N 449.510 5.816 30 20 IKED CCN(C[C@@H](C)C#N)C(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1 485147858 IDXGWFVKFJJNMU-LBPRGKRZSA-N 435.380 5.383 30 20 IKED COC(=O)CSCc1cccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 485322426 RSTGFQWNZOQUBC-UHFFFAOYSA-N 432.501 5.009 30 20 IKED CCC[C@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)c1ccc(Cl)c(Cl)c1 486897733 SFYKSABDKXAUML-FQEVSTJZSA-N 448.350 5.272 30 20 IKED N#CCCC[C@H](NC(=O)c1cc(Cl)ccc1I)c1ccccc1 487221715 SKPQLFYIYNFMSD-KRWDZBQOSA-N 438.696 5.110 30 20 IKED CC(=O)N(c1nc(COc2cc(Cl)cc(C#N)c2)cs1)c1c(C)cc(C)cc1C 487269236 NSWXKLJDUZVQMI-UHFFFAOYSA-N 425.941 5.857 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)c1nnc(-c2ccccc2)o1 489691503 ZMJDCUOYVYMDHQ-KRWDZBQOSA-N 433.537 5.255 30 20 IKED CC(C)(C)CN(CCC#N)C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 494343195 KYLREXPITXULDU-UHFFFAOYSA-N 442.357 5.103 30 20 IKED N#Cc1ccc(CN(CC(=O)Nc2c(Cl)cccc2Cl)Cc2cccc(F)c2)cc1 497965279 MDWDPWQXRBUTCA-UHFFFAOYSA-N 442.321 5.645 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 498903586 MJEHHYOELQDECI-QGZVFWFLSA-N 447.926 5.019 30 20 IKED N#CCCn1cc(CNC[C@@H]2CC3c4ccccc4C2c2ccccc23)c(-c2ccccc2)n1 500111861 MZIQFBOBIGXDDK-LWJVVSBASA-N 444.582 5.851 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(Cl)c4cccnc34)c2)cc1 501423208 MEVITKOCNXLDKP-UHFFFAOYSA-N 427.891 5.786 30 20 IKED Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 501427047 VLJGCNCYDSQTHI-UHFFFAOYSA-N 444.579 5.372 30 20 IKED Cc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc(C)c1OC(F)F 503368506 DHHJDZBYJUZFEQ-UHFFFAOYSA-N 436.458 5.802 30 20 IKED Cc1ccc(-c2cc(C(=O)NCCCCC#N)c3sc(N4CCCCC4)nc3n2)cc1 505087304 MKRQQAMIXBRCCP-UHFFFAOYSA-N 433.581 5.081 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1cncc(Br)c1)C1CC1 505386762 JJVNRKKZJNJJTC-NRFANRHFSA-N 441.373 5.035 30 20 IKED CC(C)n1ncc2c(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)cc(C3CC3)nc21 505539113 FIWKKKLRRODWHM-SFHVURJKSA-N 428.323 5.191 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)o1 505932812 BFRCOSNNCYRABO-SFHVURJKSA-N 426.259 5.032 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(N2CCCCC2)CC1 508733425 MGWKYDXMVHRDDA-NRFANRHFSA-N 445.611 5.212 30 20 IKED C=CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H](COCc2ccccc2)C1 508844701 KHLQTYIYSLNFAR-QFIPXVFZSA-N 434.609 5.108 30 20 IKED C=CCn1c(-c2ccoc2)nnc1N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 508867015 NXCHBIIQDYMMKD-UHFFFAOYSA-N 433.339 5.217 30 20 IKED C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@]2(C1)OCc1ccccc12 508956805 UBUQPOHCHYWDBG-MHZLTWQESA-N 444.579 5.111 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 509601963 PNPABOWMTBSUIN-UHFFFAOYSA-N 441.940 5.216 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1 510674849 MBENFYHBSSZBKO-UHFFFAOYSA-N 435.487 5.548 30 20 IKED CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(Cl)s1 512988112 UKDFPHPUADXDOY-SFHVURJKSA-N 439.924 5.271 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)oc2c(Cl)cccc12 513676962 NRKOMLDBGOHNTG-ZDUSSCGKSA-N 437.908 5.474 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)cc1 515619966 DCIOGBAWYBRDTB-UHFFFAOYSA-N 439.515 5.062 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 517474322 OBCWGBUQGPVZQJ-YWZLYKJASA-N 439.972 5.236 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 517520383 BQRFADCKOHQRNG-XIKOKIGWSA-N 431.970 5.176 30 20 IKED CC(C)c1nc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)nn1-c1ccccc1Cl 518849308 ZRJRWIYQOGIVLK-INIZCTEOSA-N 447.848 5.058 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1 518905948 MIORPNXTGLZFGI-UHFFFAOYSA-N 427.529 5.445 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCCCC[C@H]2c2ccccc2)CC1 520016077 IIBACKZDTLXPBT-QFIPXVFZSA-N 444.535 5.167 30 20 IKED COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)CCC3)cc1 520264425 KPUSNOQZIOPTNV-BTYIYWSLSA-N 432.549 5.128 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccc(F)cc3)C3CCC3)cc2)cc1 520644153 KAHZMKAOKNOLBH-DEOSSOPVSA-N 443.478 5.086 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 522634344 VXPLLUFMKLZSKQ-UHFFFAOYSA-N 431.879 5.172 30 20 IKED C[C@@H](CC(=O)N[C@@H](C#N)c1ccc(Br)cc1)c1ccccc1C(F)(F)F 525069789 AKXPVPNAZOQBJV-SJCJKPOMSA-N 425.248 5.343 30 20 IKED COc1c(Br)cc(Br)cc1CN[C@H](CCC#N)c1ccccc1 532670128 YHJGKFNANZZWNP-QGZVFWFLSA-N 438.163 5.355 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCc2c([nH]c3ccccc23)C1 536282639 ZESRFBGZVYTDBB-UHFFFAOYSA-N 436.515 5.517 30 20 IKED Cc1ccc(SC2CCCC2)c(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 539541544 QKZCOAPCUKTJIB-UHFFFAOYSA-N 447.604 5.392 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nccnc1Sc1ccccc1 542225577 UDSDXDZBQKAANL-UHFFFAOYSA-N 439.500 5.248 30 20 IKED N#Cc1ccc(-n2ccc(NCC(=O)Nc3ccccc3Cc3ccccc3)n2)c(Cl)c1 542942338 NQSUMQONZMPTHU-UHFFFAOYSA-N 441.922 5.039 30 20 IKED CCc1ccccc1N(C(C)=O)c1nc(CN(Cc2ccc(C#N)cc2)C2CC2)cs1 543177476 TTZDBCUZYAHQOH-UHFFFAOYSA-N 430.577 5.426 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1cccnc1-c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 543919785 PIFNFBLXJMALTD-LJQANCHMSA-N 446.510 5.103 30 20 IKED COC(=O)c1ccc(Cl)c(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1C 547351022 QMSLTNWJTDMAPR-UHFFFAOYSA-N 434.879 5.138 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC(C(F)(F)F)CC1 549270872 SOTMGWQIEPAJGP-MRXNPFEDSA-N 438.494 5.172 30 20 IKED Cc1cc(-c2nnc(N3CCC(CC#N)CC3)n2Cc2cccs2)c2ccccc2n1 555444535 OOKOBUFSNJLXJT-UHFFFAOYSA-N 428.565 5.042 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC([C@H](F)c2ccccc2F)CC1 567072355 WMVONVONUJHEMG-ZHRRBRCNSA-N 429.536 6.175 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](CC1CCCCC1)C(C)(C)C 571318183 HZEBDORBXMJOKL-DYESRHJHSA-N 429.630 5.378 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CCc1nnc(-c2ccccc2)o1 576033789 ZGWQGYVIWLMSDS-UHFFFAOYSA-N 442.906 5.428 30 20 IKED O=C(Nc1cc(Cl)ccc1C(F)(F)F)c1ccc(OCC(F)(F)C(F)F)nc1 581691422 XLBCOVUMKRAIIV-UHFFFAOYSA-N 430.707 5.285 30 20 IKED CC(C)c1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cnn1-c1ccc(F)cc1 603623509 XQSZKXPCUKMNOE-UHFFFAOYSA-N 441.466 5.446 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)CSCc1coc(-c2ccccc2)n1 603755116 SMHYBTKLOCYFDQ-UHFFFAOYSA-N 429.501 5.273 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(Br)cc1Cl 603959438 ITIVGBYEEULCNH-UHFFFAOYSA-N 442.700 5.722 30 20 IKED Cc1c(NC(=O)c2ccccc2-c2ccccc2C#N)cccc1-c1nnc2n1CCCCC2 603962142 GEPGAFBXFVDEQC-UHFFFAOYSA-N 447.542 5.771 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CSCc2ccc(C#N)cc2)cc1 604003625 PIHSIOSBAGOQFI-UHFFFAOYSA-N 427.529 5.075 30 20 IKED CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccccc1-c1ccccc1C#N 604191493 GBNOLRLGKQUGCS-UHFFFAOYSA-N 438.506 5.459 30 20 IKED C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 608896908 GGDZVYGACYPGOD-CQSZACIVSA-N 427.382 5.170 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCc1nc2ccccc2[nH]1 609207606 IDHMUHHWBBXAHD-UHFFFAOYSA-N 439.519 5.076 30 20 IKED CCCN(C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C)c1cc(Cl)ccc1C#N 609286310 TVMKPOHVINRVGH-UHFFFAOYSA-N 449.967 5.587 30 20 IKED N#CCCSc1ccccc1NC(=O)CCCSc1ccc(Br)cc1 609375460 VLFJKQVFGCRENX-UHFFFAOYSA-N 435.412 5.966 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1cccc2ccccc12 609403630 MQIGPNFSJQUVCH-JPYJTQIMSA-N 443.572 5.394 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nc3ccccc3s2)s1 609427815 OFKGFRPKOTUPRH-AWEZNQCLSA-N 435.599 6.671 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)o1 609700249 OTVCUGFKYLAUQU-HXUWFJFHSA-N 438.936 5.314 30 20 IKED N#Cc1cn(CCCOc2ccc3ccccc3c2)c2ccc(Br)cc2c1=O 609962363 UHJWBTCMJSQSMM-UHFFFAOYSA-N 433.305 5.258 30 20 IKED CCN(C(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1)[C@@H](C)c1ccc(C#N)cc1 610151623 ISZVBUDXBPCSPO-IBGZPJMESA-N 426.520 5.734 30 20 IKED N#Cc1cc(N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)c2ccccc2n1 610277859 AOQFSSPWZGJRHI-UHFFFAOYSA-N 437.478 5.452 30 20 IKED N#Cc1ccc(CSc2nnc(Cc3cccs3)n2C2CC2)c(Br)c1 611491682 YJKTVEVMIVNCDH-UHFFFAOYSA-N 431.384 5.192 30 20 IKED CCCc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 615804616 KVAYNJBLIFNMBG-UHFFFAOYSA-N 427.504 5.608 30 20 IKED N#CCCCn1cc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c2ccccc21 618179604 KPGVDBHIOINXJE-KBPBESRZSA-N 445.407 5.584 30 20 IKED COCc1c(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)sc2cccc(F)c12 618301522 RIYXHXCNVSUTON-UWVGGRQHSA-N 443.384 5.390 30 20 IKED O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 620816079 OCIWDGWYHOTOGV-HTQZYQBOSA-N 426.254 5.439 30 20 IKED O=C(NCCc1c[nH]c2cc(F)ccc12)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 622943404 SRFWEEWHCILDDL-IMRBUKKESA-N 439.375 5.058 30 20 IKED C[C@H](NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ncc(Br)cc1F 681739608 MZKZZDDRDUNAMV-DJLDLDEBSA-N 437.197 5.543 30 20 IKED C[C@H](C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1c(Cl)cccc1Cl 726027581 AQNMGAQKNGSDGZ-UONOGXRCSA-N 437.298 5.115 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=S)NCc1cccc(C(F)(F)F)c1 726485987 ZZTKONSEZDZQCM-UHFFFAOYSA-N 425.479 5.658 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 726755246 CRHRHLIVNDLMLG-UHFFFAOYSA-N 443.510 5.288 30 20 IKED C[C@H](Sc1nnc(Cc2cccc(F)c2)o1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 727654928 XLJRAPKOEMCUKH-HBBMIWKISA-N 437.540 5.161 30 20 IKED COc1cc(/C=C\C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cc(OC)c1OC 727655186 TZKLDFCHUNFMSY-YHYXMXQVSA-N 429.925 5.694 30 20 IKED Cc1cc(C(=O)Nc2ccccc2NC(=O)c2cccs2)c(C)n1-c1ccc(C#N)cc1 728275091 YHAWBZJYPSGKMA-UHFFFAOYSA-N 440.528 5.532 30 20 IKED COc1ccc(-c2nc(S[C@H](C)c3ccc(OC(F)(F)F)cc3)nc(O)c2C#N)cc1 728703590 HQGGENXGNZXGJL-GFCCVEGCSA-N 447.438 5.481 30 20 IKED CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(OCC(F)(F)C(F)F)nc1 729174913 QFQVASNKDNQMFM-UHFFFAOYSA-N 438.343 5.042 30 20 IKED Cc1cccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c1C 730416316 CKKBLXMMCBKIKE-MRXNPFEDSA-N 436.537 5.207 30 20 IKED Cc1csc(SCc2ccc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)cc2)n1 730416696 GVWIMTOKNLUTAS-MRXNPFEDSA-N 439.562 5.983 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1 731645057 FNRFSYHHTLGPJI-SFHVURJKSA-N 434.323 5.013 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cc(Cl)nc(N4CCCC4)c3)c2)c1 732934706 JFPFFKSTHKGBDG-UHFFFAOYSA-N 432.911 5.038 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H](Oc2ccc(Cl)cc2)c2ccccc2)c1 733773299 YKJINWLTARTKEF-XUZZJYLKSA-N 434.923 5.457 30 20 IKED Cc1nn(C)c(C)c1C(=NNc1ccc(Br)cc1C(F)(F)F)C(F)(F)F 733902067 ZYTNUWRJXDHZAH-UHFFFAOYSA-N 443.189 5.197 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N[C@@H](c3ccccc3)C3CCOCC3)c2)cc1 734350055 APAQVHQJFNOPNK-SANMLTNESA-N 426.516 5.035 30 20 IKED Cc1cc(F)ccc1-c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1F 735400180 SJSSLRJIGCMMIX-SFHVURJKSA-N 442.824 5.694 30 20 IKED N#C[C@H](C(=O)CCc1cc(Cl)cs1)c1nc(-c2ccc(Cl)cc2Cl)cs1 737323946 YHHKZELXQPNCLN-CQSZACIVSA-N 441.792 6.641 30 20 IKED COc1cccc(-c2nn(CN(CCC#N)C(C)C)c(=S)n2-c2ccc(Cl)cc2)c1 739841257 FMIYCHGCAIYWHT-UHFFFAOYSA-N 441.988 5.314 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2c(Cl)nc3sccn23)cs1 741843988 LKKCFDZEGAMROF-QPJJXVBHSA-N 446.916 5.226 30 20 IKED COc1cc(/C=C/C(=O)c2ccc3c(c2)COC3)ccc1OCc1ccc([N+](=O)[O-])cc1 742436859 ODUWZOQKVLEGDY-ONNFQVAWSA-N 431.444 5.109 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=S)N[C@@H]2CCc3ccccc3C2)cc1 742992121 IPWOJUTUUNVXTA-RUZDIDTESA-N 429.564 5.132 30 20 IKED C[C@H](C#N)CN(C)C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 743876772 GNZXHAHRQNHVON-OAHLLOKOSA-N 440.619 5.187 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)NC3CCCCC3)CC2)cc1 744766048 LFILWBPECSUNDK-RUZDIDTESA-N 444.579 5.035 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3cccc(OCc4cccc(Cl)c4)c3)o2)c1 744851999 UPATVERPNLRDMR-UHFFFAOYSA-N 445.862 5.198 30 20 IKED CC/C(=C\C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccc(Cl)c1 745756518 AQNOXHVOHMXLBJ-WUVIJCSQSA-N 442.968 5.710 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(Cc2ccc(F)cc2)C(C)C)c1=S 746026564 MWXBAFYVZPGVQF-UHFFFAOYSA-N 426.561 5.283 30 20 IKED CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 746948298 FLYVVOBNYBSTPR-UHFFFAOYSA-N 428.376 5.307 30 20 IKED C[C@@H](OC(=O)c1c(F)c(F)cc(F)c1F)c1nc(-c2cccc(C(F)(F)F)c2)no1 748231978 ZRAISBXPVMRWTH-SSDOTTSWSA-N 434.267 5.230 30 20 IKED COc1ccc(NN=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)cc1 750924198 LUZWUTBNUVQSJI-UHFFFAOYSA-N 436.471 5.100 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C/c1ccc2ccc(Cl)cc2n1 759204930 GZOIFQSWAZYWMI-JNCYCUAHSA-N 431.923 5.374 30 20 IKED COc1cc(/C=C\C(=O)c2sc(-c3ccc(F)cc3)nc2C)ccc1OCCC(=O)O 763372952 HFACCKOJFQSNCL-OQFOIZHKSA-N 441.480 5.016 30 20 IKED Cc1nc([C@H](C)OC(=O)CCc2c(C)nn(CCC#N)c2C)oc1-c1ccc(Cl)cc1 763933793 RBLYDOWOYPNOKL-KRWDZBQOSA-N 440.931 5.267 30 20 IKED CC(=O)N(c1nc(/C=C2/C(=O)c3ccccc3[C@@H]2C(C)C)cs1)c1ccc(F)cc1F 766505076 GLJJMJKJEGWGPR-CMYPOMNDSA-N 438.499 6.125 30 20 IKED N#CCCn1cc(CN2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c(-c2ccccc2)n1 769386676 DMDSGOJRZMNMAQ-RUZDIDTESA-N 434.971 5.063 30 20 IKED COc1ccccc1[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)OC(C)C 771115252 PZYKJAARXAWUGP-AOYPEHQESA-N 443.547 5.638 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H]2C[C@@H](C)c3c(Br)cccc32)ccc1OC 772980845 UPSCZGNXOCZDRV-IDHHARJASA-N 429.358 5.477 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3C[C@H](O)c3ccc(F)cc3)cc2)c1 773274139 JMOMGDIGPGDCRC-DHLKQENFSA-N 445.494 5.610 30 20 IKED CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c1 777973679 SHINPLIWSPFKGB-UHFFFAOYSA-N 440.908 5.050 30 20 IKED COc1ccc([C@H](NCc2ccc(OC)c(C#N)c2)c2ccc(C(F)(F)F)cc2)cc1 778616707 HZZVRBIJNXKRTL-HSZRJFAPSA-N 426.438 5.473 30 20 IKED CSCCCCCCNC(=S)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C 782202606 SUPHVKQSCFRWKA-UHFFFAOYSA-N 429.630 5.810 30 20 IKED O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)C(=O)Nc1cccc(SC(F)F)c1 784321106 BDHHFFMINGZODH-UHFFFAOYSA-N 440.340 5.233 30 20 IKED O=C(/C=C\c1cnc(-c2ccc(Cl)cc2)s1)c1c(F)cccc1N1CCOCC1 789142829 MLVFMCJQRINRNN-HJWRWDBZSA-N 428.916 5.335 30 20 IKED COCCN(C)c1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cn1 790209728 UEJZJAYUWIZCAN-SILNSSARSA-N 429.545 5.197 30 20 IKED COc1cc(C#N)cc(Cl)c1OC(=O)CCc1ccccc1NC(=O)OC(C)(C)C 790642614 IMZINPJVYVAEHT-UHFFFAOYSA-N 430.888 5.105 30 20 IKED N#C[C@@H](C(=O)Cc1cc(Cl)ccc1Br)c1nc2ccccc2n1C(F)F 790773869 PKDYJCOXPHOQAK-LBPRGKRZSA-N 438.659 5.266 30 20 IKED C=CC[C@]1(C(=O)Nc2ccccc2CCC(F)(F)F)CCCN1C(=O)OC(C)(C)C 792539663 ULLNRNQMYATMDJ-OAQYLSRUSA-N 426.479 5.466 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN2CC[C@H](Sc3cccc(Cl)c3)C2)c1=S 793794965 ZXUNCDUDKSHMAQ-SFHVURJKSA-N 444.029 5.140 30 20 IKED COc1ccc(-c2cc(C(=O)OCCCC3(C#N)CCOCC3)c3ccccc3n2)cc1 800082237 LBEDLEBNLIZOGL-UHFFFAOYSA-N 430.504 5.168 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)c1C#N 801653169 ZKOBAPURBWDYEP-MRXNPFEDSA-N 434.418 5.134 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1 804263844 CRCFPBUXACOJME-UHFFFAOYSA-N 440.931 5.025 30 20 IKED Cc1nn(C)c2sc(C(=O)/C=C\c3cn(-c4ccccc4)nc3-c3ccncc3)cc12 806579059 TWJQSMHEVWNPDO-HJWRWDBZSA-N 425.517 5.087 30 20 IKED O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1cc(F)c(C(F)(F)F)cc1F 808200057 KIKFQDGEWFTJMJ-UHFFFAOYSA-N 435.274 5.440 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc2cc(Cl)sc2[nH]1 810529360 DZSUGNIWHBCBLZ-HNNXBMFYSA-N 435.892 5.636 30 20 IKED CC(=O)Nc1ccc(N=Cc2cc(Br)cc(Br)c2O)cc1Cl 839388018 WPLOMCPUVRJUQO-UHFFFAOYSA-N 446.526 5.280 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4sc5c(c4C#N)CCC5)cc3)o2)c1 879413070 MASFVFIJTYDVQT-UHFFFAOYSA-N 426.501 5.386 30 20 IKED CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)C1 904311002 REKHTPAHPKHNPQ-JERHATOGSA-N 448.445 5.010 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CCCC#N)c1nc(-c2ccc(Oc3ccccc3)nc2)no1 904447351 RDGXFKHQNPETFB-SFHVURJKSA-N 435.484 5.184 30 20 IKED C=CCOc1ccc(C(=O)OCc2csc(N(C(C)=O)c3ccc(CC)cc3)n2)cc1 913359444 MQBAOHKESIQLST-UHFFFAOYSA-N 436.533 5.312 30 20 IKED Cc1ccc(-n2nc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c3c2CCC3)cc1 915085022 CZAFNSLMSZPMLD-RUZDIDTESA-N 432.527 5.577 30 20 IKED COc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915353766 WXGBGNNNZYUBIO-SVBPBHIXSA-N 439.559 6.500 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl 916909662 NWQHUZCMSIOAOW-CQSZACIVSA-N 430.316 5.387 30 20 IKED N#C[C@H](C(=O)CCSc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl 916927213 GCWXIJKHICOGKO-CQSZACIVSA-N 427.740 5.477 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C\c2csc([N+](=O)[O-])c2)C(=O)c2ccccc2)c(Cl)c1 917143771 OTEYLFZGILWDRW-YVLHZVERSA-N 440.908 5.832 30 20 IKED C[C@H](c1ccccc1)n1c(-c2ccccc2)nn(CN(C)Cc2ccc(C#N)cc2)c1=S 917427851 ACHMGCRWGYDIAO-HXUWFJFHSA-N 439.588 5.652 30 20 IKED N#Cc1cccc(/C=C2\CC3(C/C(=C\c4cccc(C#N)c4)C2=O)C(=O)Nc2ccccc23)c1 917518051 RBRPZUIMXUDKBZ-RNIAWFEPSA-N 441.490 5.150 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(Cl)cc2Cl)cs1 917561683 KHHNSRPWNOAMIW-UITAMQMPSA-N 435.307 6.170 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccsc2)C1=O)Nc1ccccc1 917663355 AWCRETIGVJRIRC-IBGZPJMESA-N 439.537 5.048 30 20 IKED COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 917669126 OAVSFXOJOLBULZ-HTAPYJJXSA-N 430.529 5.248 30 20 IKED C/C=C\c1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)c(OC)c1 920138679 HOEYOJKQYJYXBX-PHWHVTFISA-N 434.517 5.116 30 20 IKED N#CCSc1ccccc1C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1 921036336 LJIJMPPCKZBFPH-UHFFFAOYSA-N 428.435 6.366 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cccnc4[nH]3)CCC2)cc1 1786103007 HOGZDDOZFCORHX-UHFFFAOYSA-N 428.536 5.079 30 20 IKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(C#N)cc4)CCC3)cc2)c(C)o1 1787342645 YUAVRUJWESYGQX-UHFFFAOYSA-N 441.531 5.149 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5cc(Cl)ccc45)cc3)CCC2)CCC1 1788982189 GFWSWVSUSGCXGH-UHFFFAOYSA-N 446.938 5.263 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)C(C)C)C2 1798332186 ITUOYSGGLUEVHP-HUUMMWPTSA-N 443.031 5.486 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cccc(F)c3Cl)CC2)C1 1805457759 OWMPLVXAOCDPRL-UHFFFAOYSA-N 432.967 5.092 30 20 IKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1 1812808286 WTOUOEQZYIUNFW-OZXSUGGESA-N 439.644 5.278 30 20 IKED CC(C)[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)CC1 1820551588 TZGLUZUZRYTFPC-KJXAQDMKSA-N 447.583 5.050 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3ccoc3c2)n[nH]1 1821457588 RTLUWXKQRIQVSB-FQEVSTJZSA-N 434.540 5.454 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3cc[nH]c23)CC1 1824142304 NLAODZDYLKCTQC-DEOSSOPVSA-N 433.596 5.170 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(F)cc2)CC1 1824144896 LWIQCHSSJKXTSN-RUZDIDTESA-N 440.603 5.146 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)Nc1ccc(C)c(F)c1 11082968 DSUQXHOCWZDIAH-UHFFFAOYSA-O 435.588 5.960 30 20 IKED Cn1ccnc1[C@@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(F)c1 18236004 UGIUUAFALGOSPJ-INIZCTEOSA-N 445.338 5.116 30 20 IKED O=C(/C(=C(/S)Nc1cccc2ccccc12)[n+]1ccccc1)c1ccc([N+](=O)[O-])cc1 24033688 JFZLHFYVBZOCHZ-UHFFFAOYSA-O 428.493 5.086 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@@H](c2ccccc2)c2ccccn2)n(C2CCCCC2)c1C 27540239 AEDFHSCOPTVTRF-SANMLTNESA-N 441.579 5.195 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1csc(Cc2cccc(Cl)c2)n1 62887903 VPEZDSMAVLEURW-UHFFFAOYSA-N 441.940 5.053 30 20 IKED CCOc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c(C(F)(F)F)c1 64848783 SGXSYRJVUZUQHN-UHFFFAOYSA-N 440.421 5.807 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)ccc1OCc1ccccc1 149191567 OOCVWZVNCIXNNR-NTUHNPAUSA-N 429.516 5.007 30 20 IKED N#C[C@@H](C(=O)CCc1ccc(OC(F)F)cc1)c1nc(-c2ccc(Cl)cc2)cs1 195556892 GLMCRXLHRHVPHP-KRWDZBQOSA-N 432.879 5.874 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1nnc2n1CCCCC2 216736833 OSJHXGDGJQEZRF-IBGZPJMESA-N 441.922 5.363 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1-c1ccccc1 428275104 UNOCYVYJKUKUQN-UHFFFAOYSA-N 428.492 5.148 30 20 IKED N#Cc1ccccc1CSCCNC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 429216237 SFPBBFXHHZFJPI-UHFFFAOYSA-N 436.581 5.132 30 20 IKED N#C[C@@H]1CC[C@@H](Sc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)C1 430120310 HCKTTYRLOFXBAV-HUUCEWRRSA-N 429.343 5.133 30 20 IKED COC(=O)c1cc([C@H](C)SCC(=O)Nc2ccccc2SC[C@H](C)C#N)oc1C 431098134 BXXBLLVOKWVLSI-HIFRSBDPSA-N 432.567 5.059 30 20 IKED C=C(C)Cn1c(S[C@H](Cc2cccc(Cl)c2F)C(C)=O)nnc1-c1ccncc1 436200233 WUVSEEGTEZUDOR-GOSISDBHSA-N 430.936 5.001 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 438006635 ANEUBIHTBWBEEI-UHFFFAOYSA-N 426.398 5.428 30 20 IKED N#CCC[C@@H](NC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1)c1ccccc1 438850669 MXOCZJQHOLMJOH-LJQANCHMSA-N 438.984 5.884 30 20 IKED COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C(F)(F)F)c(F)c1 439213348 RFFIPESZISACGX-UHFFFAOYSA-N 425.300 5.141 30 20 IKED CCCc1c(NC(=O)c2ccccc2C(=O)c2cccs2)cnn1-c1cccc(C#N)c1 440087282 JQHUZRRSEIZYNQ-UHFFFAOYSA-N 440.528 5.241 30 20 IKED N#CCC[C@H](NC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1)c1ccccc1 440234642 AXWYYGYGXMWIJO-CTNGQTDRSA-N 449.942 5.324 30 20 IKED Cc1ccc(Oc2ccccc2)c(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c1 440651209 WCAKMASMTILWET-UHFFFAOYSA-N 434.517 5.117 30 20 IKED C[C@@H](O)CN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H](C)Cc1ccc(Cl)cc1 441624899 LCMRCEIMDQLHTM-KZNAEPCWSA-N 446.016 5.580 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2cccc3ccsc23)cc1Cl 442237416 OHTMYUIUJMOFME-IBGZPJMESA-N 445.931 5.787 30 20 IKED C[C@H](NC(=O)Cc1noc(-c2ccc(Sc3ccccc3C#N)cc2)n1)c1ccccc1 445297833 MRAGSIWOQPZOQD-KRWDZBQOSA-N 440.528 5.179 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1 463389881 GHUJOVZOVJSFAZ-GOSISDBHSA-N 432.911 5.172 30 20 IKED N#Cc1ccc(NC(=O)N(Cc2cccc(Br)c2)C2CCOCC2)cc1Cl 466378062 XYUOSKGTPHWOIS-UHFFFAOYSA-N 448.748 5.187 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3nnc(-c4ccccc4)s3)cc2)c1 470602935 VAYFLUBFYPZVDF-UHFFFAOYSA-N 427.489 5.191 30 20 IKED C[C@H](NC(=O)N1CCSC[C@H]1c1nccs1)c1ccc(-c2cccc(C#N)c2)cc1 474004002 AILHCXKRSJAIRK-KKSFZXQISA-N 434.590 5.242 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 475562789 HOKHQXXQERMJNW-FQEVSTJZSA-N 429.564 6.395 30 20 IKED CC(C)(C#N)c1ccc(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)cc1 476395728 YEYWXYXAOMSMLU-UHFFFAOYSA-N 437.297 5.085 30 20 IKED Cc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1NC(=O)N(C)C 478650874 IISDHLOVOZVCMR-UHFFFAOYSA-N 428.492 5.199 30 20 IKED Cc1[nH]nc(C(C)C)c1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 480642418 DSCRFLWBWLIGBL-UHFFFAOYSA-N 433.459 5.032 30 20 IKED N#CC[C@H](CC(=O)N(CC(F)(F)F)c1ccc(Br)cc1)c1ccccc1 483607566 QPXCATHJODFNAJ-OAHLLOKOSA-N 425.248 5.432 30 20 IKED COCC1(C#N)CCN(C(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 484734159 GQBMWHNEOUQZPE-UHFFFAOYSA-N 432.351 5.045 30 20 IKED Cc1cc(=O)c(-c2noc(-c3ccc(Oc4ccccc4C#N)c(Cl)c3)n2)c2n1CCC2 485374847 XRYLLWPTFCDORM-UHFFFAOYSA-N 444.878 5.137 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)cc1Cl 487062833 QYTQFAGDLMAZBQ-IRLDBZIGSA-N 447.922 5.222 30 20 IKED N#CC1(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3OC(F)F)cs2)CCCC1 494011664 KSYSSOKHNXOQFV-UHFFFAOYSA-N 429.395 5.035 30 20 IKED CCN(C(=O)[C@@H](C)Oc1ccccc1C#N)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 496501247 YYYJSJCIJUXVCX-IBVKSMDESA-N 427.548 5.482 30 20 IKED CCCn1nccc1C1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 505310730 LZPVRANQKLXSCT-UHFFFAOYSA-N 429.524 5.369 30 20 IKED N#C[C@@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1cccc(Cl)c1Cl 505337305 GVDPWFXESXUXPG-MRXNPFEDSA-N 430.316 5.302 30 20 IKED CC[C@@H](C)n1ncc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c1C1CC1 505346104 VNCCXCITTXLVSK-HOYKHHGWSA-N 428.536 5.305 30 20 IKED N#C[C@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1cccc(Cl)c1Cl 505349093 JTMBAPPWARAKRF-INIZCTEOSA-N 434.710 5.615 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 509637939 SENFLOIXRABXCW-RTWAWAEBSA-N 436.474 5.215 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(F)c2ccccc12 511812780 ZWLCCLBESMNVRL-JKSUJKDBSA-N 435.524 5.189 30 20 IKED N#C[C@@H](C(=O)c1ccnc(OCc2ccccc2)c1)c1nc(-c2ccc(Cl)cc2)cs1 512488347 HELZHWWGIGAJBF-FQEVSTJZSA-N 445.931 5.928 30 20 IKED CC(C)c1cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c2cnn(C(C)C)c2n1 512969497 HTUYARHHBWBAOT-KRWDZBQOSA-N 430.537 5.144 30 20 IKED COc1ccc(-c2ccc(C)c(NC(=O)c3ccc(COc4ccccc4C#N)o3)c2)cn1 512978917 KNBVDJLSBPYGQQ-UHFFFAOYSA-N 439.471 5.362 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 513090087 RCTUKJMAYSRIQL-HXUWFJFHSA-N 444.510 5.446 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1sc(-c2ncccn2)nc1C 513159968 KGKFWBSNSLBCDG-UHFFFAOYSA-N 427.489 5.133 30 20 IKED Cc1cc(C)cc(OCc2noc(CSc3nc(C)cc(C(F)(F)F)c3C#N)n2)c1 513817653 MDKSNEBITYCUES-UHFFFAOYSA-N 434.443 5.152 30 20 IKED N#Cc1cccc(OCc2cccc(-c3nc(CC(=O)Nc4ccccc4Cl)no3)c2)c1 516886919 HCQSNOHJKBSTQF-UHFFFAOYSA-N 444.878 5.022 30 20 IKED CC[C@H](C)c1ccc(NC(=O)Cc2noc(-c3cc(C4CC4)nc(SC)c3C#N)n2)cc1 518200415 LTQZUSAZEAYPNS-AWEZNQCLSA-N 447.564 5.297 30 20 IKED N#C[C@@H](C(=O)c1ccc(CN2CCCC2=O)cc1)c1nc(-c2ccc(Cl)cc2)cs1 519350784 UYSOKMDULNLWHA-IBGZPJMESA-N 435.936 5.076 30 20 IKED Cc1[nH]c2ccccc2c1C1=CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 519449127 WAMOQEJIHFEDJY-QGZVFWFLSA-N 430.577 6.049 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1Br 520430305 OXYZWTFRFOJGCK-LLVKDONJSA-N 449.276 5.349 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1C 520465138 QMCDXGMDBNRAAB-UHFFFAOYSA-N 435.531 5.319 30 20 IKED N#C[C@H](C(=O)c1oc2ccccc2c1CSc1ccccc1F)c1nc2ccccc2o1 522493225 UGIRBCNATPIRRJ-MRXNPFEDSA-N 442.471 6.495 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1 536737250 XPWODWBXPCATIE-QGZVFWFLSA-N 435.549 5.031 30 20 IKED COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 536810190 HMZIJLKZMQPHMQ-CJAUYULYSA-N 446.572 5.365 30 20 IKED C[C@@H](NCc1nnc(-c2c(Cl)cccc2Cl)o1)c1ccc(-c2cccc(C#N)c2)cc1 542012776 VRKVVYLXBWFXKN-OAHLLOKOSA-N 449.341 6.433 30 20 IKED CN(C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ncccc1Br 542247107 GTSLWSWJHZXGDR-UHFFFAOYSA-N 442.700 5.438 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 543489043 MBGWJZMNOJBSOI-FYYLOGMGSA-N 432.520 5.499 30 20 IKED CCc1nnc(-c2ccc(NC(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc2)o1 543882148 GJLPYNHAKLMZTR-KRWDZBQOSA-N 437.503 5.720 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cnn(-c4ccccc4)c3C(F)(F)F)cc2)nc1 545820064 NWPMXLXYEZFGNJ-UHFFFAOYSA-N 449.392 5.202 30 20 IKED COc1cc(Br)ccc1-c1noc(-c2ccc(Oc3ccc(C#N)cn3)cc2)n1 546495088 QFGYSUFLWOJWST-UHFFFAOYSA-N 449.264 5.234 30 20 IKED CCCc1ccc([C@@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)c2cccs2)cc1 548899457 RZMIIRQPGXRADS-XMMPIXPASA-N 444.604 5.452 30 20 IKED N#CCC[C@@H](C#N)CNC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 548950084 JZONZQUWDLCSTH-MGPUTAFESA-N 433.408 5.187 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](c2ccccc2OC)C1 549666757 CHEARNSLTAJXHX-RTBURBONSA-N 436.531 5.136 30 20 IKED CC[C@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H](c1ccc(C)cc1)n1cncn1 555666964 DMVGBTQDVSBALC-GREBRCKQSA-N 448.596 5.028 30 20 IKED C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 559006511 VOLVYAVZOQGKHS-OAHLLOKOSA-N 448.518 5.084 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@@H](COCC)C1 570297599 ALADVHGAFJIFHZ-NHCUHLMSSA-N 434.584 5.400 30 20 IKED C=CCCCCCN(C)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 570978255 SGJUKFCZXDCHSX-UHFFFAOYSA-N 433.474 6.168 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)c2ccc3n[nH]cc3c2)cc1 576182620 UOSDNKZTDGXYAJ-OAHLLOKOSA-N 427.464 5.118 30 20 IKED C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(OCC2CCCC2)CC1 578846401 INTVSMNDANQWKU-UHFFFAOYSA-N 433.600 5.033 30 20 IKED COc1cccc(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1OC 603829075 VJZTWHMMCMSOSN-NRFANRHFSA-N 449.938 5.377 30 20 IKED CC(C)(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(Cl)cc1 603945859 UIVHJHCWMPOBAU-UHFFFAOYSA-N 428.970 5.272 30 20 IKED CC(C)CNC(=O)c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 603971950 YCSUNTUBZJAMOC-UHFFFAOYSA-N 429.545 5.348 30 20 IKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cnn1-c1ccc(F)cc1 609064855 MKBFBQLMUKQWOD-UHFFFAOYSA-N 426.451 5.023 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccnn2Cc2ccccc2F)cc1 609299471 YATVGUBEXQRNDN-UHFFFAOYSA-N 430.414 5.126 30 20 IKED CC(C)Oc1ncc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1Cl 609381738 SGNUGDPKIOWJJC-UHFFFAOYSA-N 443.878 5.799 30 20 IKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)Nc1ccccc1S[C@H](C)CC#N 609428128 AMYLXPPUZRCSPL-CYBMUJFWSA-N 442.382 5.814 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCc2c(Br)cccc2C1 609436782 SZCAKXZGVPPWEX-CQSZACIVSA-N 430.371 5.434 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1 609503846 YUHSHQKAIMUPTH-JOCHJYFZSA-N 430.470 5.880 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc4nc([C@H]5CCCO5)[nH]c4c3)c2)c1 609643301 RRXFKONLOJEZSK-XMMPIXPASA-N 438.487 5.117 30 20 IKED C[C@@H](c1ccccc1)N1CCC(NCc2cccc(OCc3ccccc3C#N)c2)CC1 609708370 IKPDOZMCDSGMMC-QFIPXVFZSA-N 425.576 5.452 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)cc1C 609912607 CSUJJCCLHHWRNA-SIKLNZKXSA-N 430.527 5.238 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCCO[C@@H](c3ccccc3)C2)cc1F 610334848 UXAZJEKZRHERNO-XMMPIXPASA-N 431.467 5.485 30 20 IKED N#Cc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1C(F)(F)F 610388556 YVASQOZBJQWVME-UHFFFAOYSA-N 447.420 5.136 30 20 IKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)N[C@@H](C)c1cccc(C#N)c1)CC2 610406467 BAVRVQSMBLBSLW-FYSMJZIKSA-N 447.560 5.055 30 20 IKED COCCN(CCC#N)C(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)c(F)c1 610558511 ZCGKRHRPGXGSLK-UHFFFAOYSA-N 426.275 5.319 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCc2sc(Br)cc2C1 610936098 VIXNQAXAGAWBMQ-LBPRGKRZSA-N 436.400 5.495 30 20 IKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)cc2)cc1 613292746 UQPALPOXUVDGOO-QHCPKHFHSA-N 440.524 5.007 30 20 IKED N#Cc1ccc(N2CCC[C@H]2c2nc(C(F)(F)c3ccc(Cl)c(Cl)c3)no2)cc1 615133226 RTOGFJXNVHXEBP-KRWDZBQOSA-N 435.261 5.730 30 20 IKED CCc1nc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2nc1CC 619756484 AVMJKGQSJCTUKT-SFHVURJKSA-N 437.528 5.240 30 20 IKED O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1cc(C(F)(F)F)ccc1F 622318882 DPMBYNNOIKLEOU-UHFFFAOYSA-N 448.382 5.258 30 20 IKED N#C[C@@H](C(=O)c1cc(Br)c2ccccc2c1)c1nc(-c2ccncc2)cs1 645957557 UXGKPKKWVGYDBA-KRWDZBQOSA-N 434.318 5.611 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 672217751 IBSBLZJBKKFKQS-UHFFFAOYSA-N 436.455 5.133 30 20 IKED O=C(N[C@@H]1CCCC(F)(F)C1)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 676193387 DDPNHUGAANWUSI-SNVBAGLBSA-N 441.322 5.218 30 20 IKED CC(C)CC(=O)N[C@@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 727368936 RPRMYHDSQRNZCW-AZGAKELHSA-N 425.532 5.184 30 20 IKED N#C[C@H](C(=O)CSC[C@@H]1CCCCO1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 727627314 DZMOJKODBMUHQA-IPELFKPHSA-N 430.639 5.089 30 20 IKED CCSc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 729064863 LSDQMTCSVFQEON-MHECFPHRSA-N 443.572 5.270 30 20 IKED C[C@H](Sc1ccc(Br)cc1)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 730417062 KEJCRPQVOYGLPF-IINYFYTJSA-N 435.343 5.555 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)ccc1F 730690278 RHNZEJCOINBQID-CYBMUJFWSA-N 444.413 5.408 30 20 IKED CC(C)Cn1cc(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccccc21 731075210 XJYSTASEYVYZFA-GOSISDBHSA-N 449.576 5.345 30 20 IKED COc1cc(OC)c(C(=O)/C=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1Cl 733083115 DGJBXHFDQBXPPU-SREVYHEPSA-N 430.869 5.285 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1 733629139 WVAMZYZCEXRDMJ-UHFFFAOYSA-N 427.936 5.282 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H](C)Oc2ccccc2Cc2ccccc2)c1 733769969 ABSFCVDSNQHQSY-RDPSFJRHSA-N 428.532 5.042 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(C)cc2OCc2ccccc2)c1 733844412 XGKTXVXSWMMHCB-JOCHJYFZSA-N 429.520 5.577 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)cc1 734930723 XOFHIJGDYNCZQH-ILBGXUMGSA-N 428.511 5.272 30 20 IKED C[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1cccc(OC(F)F)c1 740031725 SKDCNTRRSZNLIG-CQSZACIVSA-N 427.476 5.449 30 20 IKED COc1cc(F)c([C@@H](C)NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1OC 740061092 LRENWOGIWOYHTH-CQSZACIVSA-N 439.512 5.003 30 20 IKED Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)COc1cccc(C#N)c1 741966847 WDUNGBTZTHUXKW-UHFFFAOYSA-N 442.494 5.621 30 20 IKED CC(C)(C)c1ccc(-c2nn(CN3CCOC[C@@H]3C#N)c(=S)n2C2CCCCC2)cc1 742167283 DAUUPSGENBWJGI-NRFANRHFSA-N 439.629 5.066 30 20 IKED N#Cc1ccc2c(c1)CC/C(=C/c1cc(Br)c(O)c(Br)c1)C2=O 742438351 WMTKWQHLCXLJEJ-MLPAPPSSSA-N 433.099 5.001 30 20 IKED Cc1ccc(C(=O)N[C@H](C#N)c2cccc(Br)c2)cc1NC(=O)OC(C)(C)C 742605358 RATPSDJNJXBZOK-GOSISDBHSA-N 444.329 5.099 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nc(-c2cccc(F)c2)no1 743097944 YXRGGGSLQXPPPX-KSFYIVLOSA-N 441.466 5.414 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 743474966 OTLIICJAUDDXDI-LJQANCHMSA-N 442.494 5.024 30 20 IKED CC(=NNc1nc(C)nc2sc(-c3ccccc3)cc12)c1cccc(N2CCOC2=O)c1 745588516 PRAVFUGQEGFBJG-UHFFFAOYSA-N 443.532 5.459 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)c1 746245253 NESFWVHRYSOGRO-UHFFFAOYSA-N 447.947 5.599 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccn(Cc2ccccn2)n1)c1ccc(C(F)(F)F)cc1 750314194 JNKNLQGNVFMYSK-IBGZPJMESA-N 429.446 5.174 30 20 IKED CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)[C@H](C#N)c1nc2ccccc2n1C)OCC3 759182137 UTNVEICLFYYKEB-CCLHPLFOSA-N 440.547 5.062 30 20 IKED C[C@H](ON=Cc1c(Cl)nc2ccccn12)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 760445810 AASPXLCEGNIHKD-JTQLQIEISA-N 436.686 5.456 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)cc1 764301936 LRSPYXINDSJYOD-UHFFFAOYSA-N 426.885 5.041 30 20 IKED C=CCn1c(-c2cccc(OC)c2)nn(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)c1=S 765047406 NFPRCZFNPLQGIV-PKTZIBPZSA-N 445.592 5.005 30 20 IKED CC(C)Cn1ccc2c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cccc21 774043332 OMBYCWVPHXEJMN-LJQANCHMSA-N 441.503 5.573 30 20 IKED N#C[C@H](COC(=O)c1ncoc1-c1ccccc1Cl)Cc1cccc(Br)c1 774400186 QGIRIQOZUZHAAC-CQSZACIVSA-N 445.700 5.297 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1oc2ccccc2c1CSc1ncccn1 780154673 XVGZXLFRBZUOEB-OAHLLOKOSA-N 430.489 5.058 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 780678035 KDTNJPLPWZMSEO-QZTJIDSGSA-N 433.483 5.578 30 20 IKED Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1sc(-c2ccccc2)cc1C#N 782244951 MHJLWPNTMPCFHK-UHFFFAOYSA-N 440.550 5.651 30 20 IKED C[C@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1nnc(-c2cccc(Cl)c2)o1 783633202 INKJLEPBZDGREE-AWEZNQCLSA-N 446.850 5.367 30 20 IKED C=C[C@H]1CCCCN1C(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12 785861862 NJIVKCABYVPDCP-SFHVURJKSA-N 432.520 5.108 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc2ccccc2n1CC(F)(F)F 786310275 HSOPSPZAAGHQRP-SFHVURJKSA-N 441.453 5.290 30 20 IKED Cc1oc(-c2ccccc2)nc1C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 787043477 BEJJIEXINYCGFI-YVEFUNNKSA-N 442.302 5.157 30 20 IKED CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 793123546 ZAAWDZLMKFDXRE-GDBMZVCRSA-N 435.396 5.895 30 20 IKED COc1cccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2SCCO[C@H](C)C#N)c1 801654314 IGGXTZXMNWKOMR-NLKUQUHMSA-N 449.576 5.224 30 20 IKED COCCCOc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 806200626 IOTKIWDMILHHIL-RUZDIDTESA-N 429.520 5.079 30 20 IKED CC1(c2ccccc2)C/C(=C/c2nc(C#N)cs2)C(=O)/C(=C\c2nc(C#N)cs2)C1 811693722 MAKFPKKFOXRGDV-DUGOVBPYSA-N 428.542 5.131 30 20 IKED C#Cc1ccccc1CC(=O)N(CC)[C@H](c1ccc(Br)cc1)c1cccnc1 812994610 LQWBKZVECCCMAO-XMMPIXPASA-N 433.349 5.006 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc(C(=O)NC)cc1)C(=O)c1ccccc1 912859349 NEHRZRUJUKRJSF-HKOYGPOVSA-N 440.543 5.076 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)/C=C\c2ccc3ccc(Cl)cc3n2)cc1 912874181 YARDSNXXEHWDSP-ADYSOMBNSA-N 447.922 5.088 30 20 IKED Cc1ccc(N2C(=O)CC[C@H](C(=O)N(C)Cc3ccc(C#N)cc3)[C@@H]2c2cccs2)cc1 914492255 VMINNPFFWRFKMI-WIOPSUGQSA-N 443.572 5.071 30 20 IKED COC(=O)c1sc2ncc(C(=O)/C=C/c3cccc(OC)c3OC(C)C)cc2c1C 914773661 PDHGPWISDLUQGT-MDZDMXLPSA-N 425.506 5.083 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1 915351969 FBIPZSCCQNFTLX-ILBGXUMGSA-N 441.531 6.454 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 915353803 XOQILVCFPWUASV-RPWUZVMVSA-N 439.515 5.482 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)nc2ccccc21 916843749 OCWRMRAXMBVGJR-SFHVURJKSA-N 432.430 5.408 30 20 IKED COc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cs2)cc1 916927994 GGLFMQFTIRKUFN-CQSZACIVSA-N 446.315 5.087 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 916953262 BCUQNZNNIJRORO-HRAATJIYSA-N 445.544 5.475 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2sc(C(C)(C)C)nc2C)cs1 917560377 MQKJWHQBPOCXHG-FMIVXFBMSA-N 439.606 6.095 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 919868775 YSCMLGHXCUTRHZ-UHFFFAOYSA-N 437.499 5.561 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(NC(=O)OC(C)(C)C)c3)n2)cc1 920138452 GZEHFQDIQSZEJR-IBGZPJMESA-N 449.532 5.656 30 20 IKED Cc1c(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)nnn1-c1ccccc1 920388836 IJBCZIHXBOYVPX-PFONDFGASA-N 442.906 5.378 30 20 IKED CC(=Nn1cnnc1SCc1ccc(Cl)cc1)c1cnn(-c2ccc(F)cc2)c1C 920987994 UMVMGHREWNZNSB-UHFFFAOYSA-N 440.935 5.129 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C(C)C)cc3)cc2)CCC1 1790314117 OXWKWFSJCBWFQM-IBGZPJMESA-N 435.568 5.359 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc4[nH]ccc4s3)CCC2)cc1)C(F)(F)F 1791303293 TZHUFYUDCXSDON-UHFFFAOYSA-N 433.455 5.096 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)nc3ccccc13)C2 1792572127 BBGRXOJPVFPJRH-BCDXTJNWSA-N 439.987 5.132 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1 1797769404 HKJSZOINKRUUHS-YHINDDMVSA-N 429.004 5.074 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccnc(C(F)F)c2)[nH]n1 1814442870 ZKUXMVQTWVIZOL-SFHVURJKSA-N 445.514 5.041 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](CC)c2ccccc2)n[nH]1 1816737768 ZMYSCRGOWVKDEQ-MQSCRBSSSA-N 434.584 5.364 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2oc3ccccc3c2C)[nH]n1 1819305257 FWBGVQGRMNXFPB-GHTZIAJQSA-N 446.551 5.539 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccsc3[nH]2)[nH]n1 1819555963 MLLXKTTZIYKPAA-GOSISDBHSA-N 439.585 5.251 30 20 IKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(C)CCCCC3)CC2)c1 1830770577 BZOSRRMRDZIZEV-XMMPIXPASA-N 435.612 5.070 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(F)c(Cl)c2)CC1 1832690815 PMXFHJYOECAVTB-MGPUTAFESA-N 438.946 5.064 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cc3c(Cl)cccc3s1)C2 1844201995 IQDMSAJAVFDODZ-INIZCTEOSA-N 428.985 5.140 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc(Cl)c(OCCC)c(OCC)c2)cc1 29201666 QMJWPRUVTHRRBR-UHFFFAOYSA-N 431.920 5.087 30 20 IKED CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)c1 61943657 XTJFLFODKGKNCX-GOSISDBHSA-N 443.572 5.168 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2ccncc2)Cc2cccnc2)cc1 79101470 SAVXJKPSVYVMQG-UHFFFAOYSA-N 435.487 5.375 30 20 IKED C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1nc(-c2cccc(F)c2)no1 237598189 NQJMDDNPVJGITD-KRWDZBQOSA-N 428.467 5.177 30 20 IKED Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1SCc1ccc(C#N)cc1 255947419 OFUBBOZQXVIKNQ-UHFFFAOYSA-N 443.572 5.178 30 20 IKED COc1cc(CN(C)C(=O)Nc2ccc(C#N)cc2Cl)ccc1OCc1ccccc1 426135315 DHVJNJANZBLYQL-UHFFFAOYSA-N 435.911 5.463 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)s1 430643821 MITCXCVGQQLDDT-ZDUSSCGKSA-N 434.439 6.089 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(CCc3ccccn3)Cc3cccnc3)cc2)c1 432061475 JBWTXAHGSTYWQG-UHFFFAOYSA-N 449.514 5.417 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CCCCC2)cc1Cl 435218312 VEEVUCKWUQVYLG-QNWVGRARSA-N 435.955 5.019 30 20 IKED CC(C)c1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1[N+](=O)[O-] 439639872 ANZOYVPYXQASAD-AWEZNQCLSA-N 427.432 5.610 30 20 IKED CCCc1c(NC(=O)N2C[C@H](C)C[C@H]2c2ccccc2F)cnn1-c1cccc(C#N)c1 439667731 BQISYENGTQBCJG-OSPHWJPCSA-N 431.515 5.451 30 20 IKED C=CCN(C(=O)CCOC1CCOCC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 439789301 KUTLXOLLLBMMOP-UHFFFAOYSA-N 441.380 5.222 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(COCC(F)(F)F)c1 442206559 GYRFKQZFYCVOBQ-OAHLLOKOSA-N 437.487 5.481 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2cccc(OCc3cccs3)c2)c1C#N 445559369 CLHYOMFVVVBKEM-UHFFFAOYSA-N 446.557 5.359 30 20 IKED CO[C@H]1CCOc2c(NC(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cccc21 448045446 RDQZNWQOFWJYAY-OSPHWJPCSA-N 427.504 5.578 30 20 IKED C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@H]1c1ccc(Br)s1 460369041 HTHSCYPUDTURHF-HNNXBMFYSA-N 430.375 5.082 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 463524841 JGRGROFKZZEUBQ-UHFFFAOYSA-N 438.462 5.243 30 20 IKED Cc1ccc2c(CCC(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)c[nH]c2c1 465080740 PKFJVYIZHMNXTQ-UHFFFAOYSA-N 433.562 5.063 30 20 IKED CC1CCN(C(=O)c2ccccc2NC(=O)c2cn(CCCC#N)c3ccccc23)CC1 469134349 ZYLSXEPTQAUDKB-UHFFFAOYSA-N 428.536 5.069 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 469658573 ONVHJTHXNXQMDU-FQEVSTJZSA-N 447.457 5.361 30 20 IKED N#Cc1ccc(NC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)c(Cl)c1 470961033 PQLYAOAKXTXTMD-UHFFFAOYSA-N 435.698 5.530 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)nc1 474263309 CRKNZBAUHIKHSI-LBPRGKRZSA-N 430.270 5.543 30 20 IKED Cc1cc(C)c(C(=O)Nc2ccccc2SCCC#N)cc1I 475768813 ADVFMPMHKRVYRQ-UHFFFAOYSA-N 436.318 5.166 30 20 IKED CCCN(CC(F)F)C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 477116606 DCKLUGGDCDYXCH-AYZSHTAMSA-N 435.399 5.612 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(OC(F)(F)F)c2)cc1 477451292 AQFOMRQWDMTWGE-UHFFFAOYSA-N 426.394 5.483 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(N2CCc3ccccc3C2)CC1 477684576 BPFJFZIEXLNNPP-UHFFFAOYSA-N 437.543 5.013 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2CCCc3c(O)cccc32)cc1 479225145 KZVWUFKBUXYRDE-XMMPIXPASA-N 429.495 5.192 30 20 IKED C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 479269996 CXJBDYPDDRABHF-INIZCTEOSA-N 448.419 5.149 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(Cl)ccc1O[C@@H](C)COC 482358877 FDCSRXJEDAJQMC-KRWDZBQOSA-N 434.968 5.141 30 20 IKED CCCC[C@](C)(NCc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(Br)c1 483060648 OQIBUCJNBGVSNT-QFIPXVFZSA-N 439.357 5.566 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(F)c(F)c3)n2)nnc1-c1ccc(F)cc1 483097229 HJUBBANDBPYKRT-UHFFFAOYSA-N 428.439 5.496 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3cnc4ccccc4n3)c3cnn(C(C)C)c3n2)cc1 483234847 RZNPGHBDKXMJKO-FQEVSTJZSA-N 446.514 5.421 30 20 IKED Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1 483351409 QADQCZXBZSHUKP-OAQYLSRUSA-N 447.560 5.130 30 20 IKED CC(C)n1ncc2c(C(=O)N[C@H](CCCC#N)c3ccccc3)cc(-c3ccco3)nc21 487400624 DTSPYWMGZZEUSW-OAQYLSRUSA-N 427.508 5.437 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 502601607 IBHDTTOJLNSQJL-UHFFFAOYSA-N 431.561 5.100 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)c1 502617538 POTKKHMGLZSYND-LJQANCHMSA-N 429.904 5.224 30 20 IKED CC(C)(C)c1noc(-c2ccccc2C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)n1 505976739 OEOHSCCEHRTJTG-KRWDZBQOSA-N 429.307 5.336 30 20 IKED COc1cc([C@H](C)NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)ccc1OCc1ccccc1 507187550 KZQMKFCUERVTNR-SFHVURJKSA-N 444.506 5.194 30 20 IKED C=CCn1c(C2CCC2)nnc1N1CCC(c2nc(-c3ccccc3OC)cs2)CC1 508938862 NSQADFPXYAAIFG-UHFFFAOYSA-N 435.597 5.248 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(C(=O)Nc3cccnc3)cc2)c1 508990558 KKQQYFRUTSPWSL-UHFFFAOYSA-N 448.482 5.037 30 20 IKED COc1ccc(OC)c(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 510024640 VFBVUMJFTDCOON-OAQYLSRUSA-N 435.911 5.334 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@H]3CCc3ccccc3)c2)c1 511529137 ASBFXDRGNGAQSE-VWLOTQADSA-N 438.531 5.440 30 20 IKED COc1cccc(CN(C)C(=O)C[C@H](CC#N)c2ccccc2)c1OCc1ccccc1F 512961520 SMPYRAMYJVKIPO-NRFANRHFSA-N 446.522 5.459 30 20 IKED CC(C)CCSc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1[N+](=O)[O-] 513654025 IUMYGRQRQPGFNQ-OAHLLOKOSA-N 425.535 5.833 30 20 IKED COc1ccc(CN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1OCCCC#N 513754940 OJEKAUQGUVAFOR-QFIPXVFZSA-N 435.351 5.258 30 20 IKED C=CCN(C(=O)CCNC(=O)C(C)(C)C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 516461779 BVSVFOORWZQMFZ-UHFFFAOYSA-N 447.604 5.549 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc(-n2cccn2)cc1 517461712 MQYRFHIXSDDGKB-UHFFFAOYSA-N 430.455 5.078 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC(F)F 518255645 HSZRJCWPNJOBLT-CQSZACIVSA-N 435.496 5.355 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(-c4ccc(F)cc4)nc3C)n2)cc1 518515484 QATLNXSREFHTIZ-SFHVURJKSA-N 449.532 5.880 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 518755672 MCHQJHYCXMKFKI-INIZCTEOSA-N 437.515 6.270 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCCOc1ccc(F)cc1 519433828 DLSLEMFFBWRHNI-UHFFFAOYSA-N 426.435 5.648 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)Cc1nnc(-c2ccccc2Br)o1 519908662 JKCHGMUEBJPQLO-UHFFFAOYSA-N 425.330 5.029 30 20 IKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)CCCCOc1cccc(C#N)c1 520324138 DRXLCTSEMZPUHL-UHFFFAOYSA-N 427.504 5.307 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(COC4CCCCC4)c3)cc2)nc1 520325600 ZHCLZNNSZYCKPQ-UHFFFAOYSA-N 427.504 5.847 30 20 IKED CCOc1ccc([C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c2ccccc2)cc1 521086972 GRKQWWDXIQKHFU-MHZLTWQESA-N 449.510 5.664 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(F)ccc3Oc3ccccc3)cc2)nc1 521955402 CWYMUSXWQNWXBF-UHFFFAOYSA-N 425.419 5.929 30 20 IKED Cc1ccc2nc(CSCC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)cn2c1 524456470 UWXKDTZUWQFPPC-UHFFFAOYSA-N 428.517 5.179 30 20 IKED COc1cc(OC)c(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1F 531509393 FGUCONIGXOUULB-UHFFFAOYSA-N 426.831 5.413 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c(Br)c1 535854626 JLAWOEUNZKMFJX-UHFFFAOYSA-N 434.293 5.134 30 20 IKED Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)Nc1ccccc1SC[C@@H](C)C#N 535971177 YSWCEGPEWXOPLM-PKOBYXMFSA-N 433.581 5.293 30 20 IKED Cc1oc(NC(=O)CN[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)c(C#N)c1C 537224229 KYXXYCJTMVTQJW-SFHVURJKSA-N 425.838 5.120 30 20 IKED CCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2CC)c1ccc(C#N)c(Cl)c1 538072953 BEQOGJXUUBCKEL-UHFFFAOYSA-N 429.911 5.310 30 20 IKED C=CCCOCCCCC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl 538305094 PWDAHXYFTXBJEV-LJQANCHMSA-N 427.372 5.076 30 20 IKED CCCc1c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cnn1C1CCCC1 541292120 OHZMLWOAHHFZJF-UHFFFAOYSA-N 429.524 5.570 30 20 IKED Cc1cc(NC(=O)N[C@H](c2ccccc2)c2cc(Cl)ccc2Cl)nn1CCC#N 541458250 VITDFWDNUJQQEQ-HXUWFJFHSA-N 428.323 5.323 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)[C@@H]3CC=CC[C@H]3c3nc4ccccc4s3)n2)c(F)c1 542062100 OTOMNJHONXUEOS-IAGOWNOFSA-N 443.507 5.181 30 20 IKED O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)C1CCSCC1 544012801 PUKVBXNQEXQDSX-GFCCVEGCSA-N 439.343 5.587 30 20 IKED Cc1ccc(S(=O)(=O)Cc2noc(-c3ccc(Sc4ccccc4C#N)cc3)n2)cc1 546238232 NPXOCTQJMDAQQI-UHFFFAOYSA-N 447.541 5.042 30 20 IKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)C1CCC(F)(F)CC1 547663310 ARBOTCMDOUPVTG-UHFFFAOYSA-N 435.311 5.333 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1ccccc1CC#N 550080989 YVZGNNPIJXSMGW-UHFFFAOYSA-N 427.888 5.420 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@](F)(c3cccc(Cl)c3)C2)cc1 554859184 HARWWNATCHKDAM-XMMPIXPASA-N 441.934 5.257 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)Nc2ccccc2Oc2cc(F)cc(F)c2)CC1 558639623 BIOYHPPBGFNNAI-UHFFFAOYSA-N 434.446 5.241 30 20 IKED C=CCOc1c(Br)cc(CNc2cccc3c2OCC[C@H]3OC)cc1OC 562504294 PZLWXASKEFSQJU-GOSISDBHSA-N 434.330 5.105 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCCC[C@H]3c3nnc(C4CCC4)o3)c2)cc1 575160620 NKQZVWJZFYRBJM-QHCPKHFHSA-N 442.519 5.155 30 20 IKED CC(C)c1nnc2ccc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cn12 578085164 LZBOWUOACUOWNJ-UHFFFAOYSA-N 442.498 5.098 30 20 IKED N#Cc1ccc(Cl)c(C(=O)N[C@@H](CC(F)(F)F)c2ccc(Br)cc2)c1 586807514 XUJWYQQVVHHNTJ-HNNXBMFYSA-N 431.639 5.398 30 20 IKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 589537704 ZJJNRLUMESOUSP-MRXNPFEDSA-N 439.302 5.216 30 20 IKED CCc1ccc(C(=O)CCC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 589985910 RRWMRRDBVXFFAR-VWLOTQADSA-N 426.516 5.172 30 20 IKED COCc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)sc2cccc(F)c12 603764782 MBXDXNWPBCEOIE-UHFFFAOYSA-N 433.464 5.498 30 20 IKED COCCN(Cc1cccs1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604088411 RYPBKGDWIDISQY-UHFFFAOYSA-N 441.940 5.746 30 20 IKED N#C[C@@H](C(=O)c1cccc(OCC(F)(F)F)n1)c1nc2cc(C(F)(F)F)ccc2s1 607008865 ANWMUWBXDQUQQB-JTQLQIEISA-N 445.344 5.141 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)COc1ccccc1C(F)(F)F 609061642 RNBQZXHENDUUDV-UHFFFAOYSA-N 440.421 5.482 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(N2CCCC2)c(F)c1 609298630 MGVKVBMIOLPLMS-UHFFFAOYSA-N 429.495 5.437 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)c1 609725273 SYRUBAOUZYSIHV-NLFFAJNJSA-N 446.934 5.902 30 20 IKED COc1cc(C[S@](=O)Cc2ccccc2Cl)ccc1OCc1cccc(C#N)c1 609743173 ZLOGSACFCMWYJD-LJAQVGFWSA-N 425.937 5.248 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CN(Cc3cccnc3)c3ccccc3)cc2)c1 609820778 DYCZJLDFJSDIMV-UHFFFAOYSA-N 434.499 5.391 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H]3C[C@@H]3c3c(F)cccc3Cl)c2)c1 610142085 UIABIOMREOXPSX-GHTZIAJQSA-N 448.885 5.281 30 20 IKED C[C@@H](CC(=O)N[C@@H](C#N)c1ccccc1Br)c1ccccc1C(F)(F)F 610197856 ASHLWLOCKFXBIM-SJCJKPOMSA-N 425.248 5.343 30 20 IKED C[C@@H](NC(=O)N[C@@H](c1cc(F)ccc1F)c1ccccc1Cl)c1cccc(C#N)c1 610357433 MNZJQBYOKCUMOW-JLCFBVMHSA-N 425.866 5.640 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1OC 613392717 YQXUAUSMMXJIRJ-INIZCTEOSA-N 426.925 5.751 30 20 IKED COc1cc([C@@H](C)NC(=O)NCc2ccc(C#N)c(Cl)c2)ccc1OC1CCCC1 619756026 RHUVDBUFHIGNTD-OAHLLOKOSA-N 427.932 5.102 30 20 IKED Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 622485315 KLCUOIPVPVBKSV-ZDUSSCGKSA-N 430.270 5.461 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(Br)cc1Br 642404191 CQISZNKYQNHPOW-UHFFFAOYSA-N 430.165 5.493 30 20 IKED C=CCN(C(=O)c1ccn(C(F)F)n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 678933558 URMOMJGDIJLAKS-UHFFFAOYSA-N 436.487 5.902 30 20 IKED O=C(c1c(F)cc(C(F)(F)F)cc1F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 685637332 HJZBPFOXXLBPEZ-HTQZYQBOSA-N 429.229 5.187 30 20 IKED CC(=NNc1cccc([N+](=O)[O-])c1C)c1ccc(OCC(=O)Nc2ccccc2C)cc1 727972831 GFNWOKYTWMENEI-UHFFFAOYSA-N 432.480 5.065 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C\c3csc(-c4cccs4)n3)SC2=S)cc1Cl 728609851 ACZASPRHYGKIET-GIDUJCDVSA-N 446.003 5.802 30 20 IKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCO[C@H](c3ccccc3Cl)C2)c1=S 728904037 JWWHJBQEHWTODX-FQEVSTJZSA-N 444.963 5.091 30 20 IKED C[C@H](OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(=O)Nc1ccccc1Cl 730375039 BMVIQJAYBCCYAE-AWEZNQCLSA-N 438.842 5.327 30 20 IKED N#C[C@H](C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1nc2cc(F)ccc2s1 730416863 ILPJUHZXMWFHTD-NKELODKYSA-N 441.572 5.257 30 20 IKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1C1CCC1 730460225 VLSJMRKOKGLHSZ-IBGZPJMESA-N 445.947 5.300 30 20 IKED C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)c1 730493662 LIHOFGQBEVSIII-UHFFFAOYSA-N 437.377 5.177 30 20 IKED N#CCCSc1ccccc1NC(=O)CCN1c2ccccc2Sc2ccccc21 730981981 GEJDMLUBNVFLIW-UHFFFAOYSA-N 431.586 6.324 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(CC)cc2)[n+]2cc(O)cc(Cl)c2)c1 738006615 JCJYGSPIJBHVHC-UHFFFAOYSA-O 435.956 5.200 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)c1C 739668334 BEBMTODSUBXHRH-UHFFFAOYSA-N 428.442 5.558 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F 741426605 FJXVGJXRVDTISZ-IXDOHACOSA-N 426.394 5.070 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C 741635991 ASGSBWLRUHKLAR-UHFFFAOYSA-N 428.467 5.083 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(C)C2c3ccccc3-c3ccccc32)ccc1OC 747954472 HRHPKTAQLBBICK-LJQANCHMSA-N 441.531 5.288 30 20 IKED CC(=O)N(c1nc(COC(=O)c2sccc2C#N)cs1)c1c(C)cc(C)cc1C 748100156 QIFBWGRYQQOKIG-UHFFFAOYSA-N 425.535 5.043 30 20 IKED COc1cc(/C=C\C(=O)c2c(C)nn(-c3ccccc3)c2C)ccc1OCC(F)(F)F 750912969 JERDNRLZHQBPRR-LUAWRHEFSA-N 430.426 5.335 30 20 IKED C[C@@H](OC(=O)Cc1ccc(OCC#N)cc1)c1ncc(-c2ccc(Cl)cc2Cl)o1 753368380 NJLDEVAOZLFTME-CYBMUJFWSA-N 431.275 5.398 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1coc(-c2ccccc2)n1 755525133 NUJXIAVVQIZHHK-UHFFFAOYSA-N 446.919 5.624 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(C3CC(F)(F)C3)C2=O)c1 757885419 JPGZTRIWEXLXNW-LJQANCHMSA-N 443.519 5.061 30 20 IKED N#Cc1cccc([C@@H]2CN(Cc3csc(-c4cccc(Br)c4)n3)CCO2)c1 761756195 FTBTXTALXHLQPJ-FQEVSTJZSA-N 440.366 5.018 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2N(C)C2CCCC2)ccc1OC 762224553 AXNAVJXUKCFFER-FQEVSTJZSA-N 436.556 5.077 30 20 IKED C[C@@H]1CCC[C@@H](OCCCCCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)C1 766622922 KNWPMEQIUSDRIL-KBAYOESNSA-N 439.383 5.796 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 768174344 IVPABYAAWDODID-KRWDZBQOSA-N 433.726 5.195 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 772595097 QDJIOYJNAAQUGJ-HXUWFJFHSA-N 442.302 5.423 30 20 IKED C#CCCCCC(=O)N(C[C@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 776303592 MJVNVKVOSGRYIR-GOSISDBHSA-N 436.499 5.535 30 20 IKED C[C@H](C#N)Oc1ccccc1NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 779742030 IUQUJNIVBUYLLK-IIBYNOLFSA-N 448.910 5.014 30 20 IKED COc1cc(NC(=O)c2ccccc2Cl)c(C(=O)OCCCC(C)(C)C#N)cc1OC 781910256 MRQSEYXUXIAHOK-UHFFFAOYSA-N 444.915 5.096 30 20 IKED O=C1/C(=C\c2scnc2C2CC2)CN(c2ccccc2)C/C1=C/c1scnc1C1CC1 782328975 RUDPLNNVIGSXOL-BJPQZVBLSA-N 445.613 5.911 30 20 IKED FC(F)(F)Oc1cccc(NC(=S)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 783728495 KZFQYEWJNZHYBC-RKDXNWHRSA-N 440.331 5.345 30 20 IKED Cc1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1C(=O)N(C)C(C)C 786051310 VUYDCHVOGJUXER-UHFFFAOYSA-N 446.576 5.397 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C 789455387 KDWXDWJXTMNEBH-WIYYLYMNSA-N 429.605 5.838 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(C)c(Br)c(Cl)c1 790387544 RRLKBMLGRZWEBL-UHFFFAOYSA-N 428.717 5.160 30 20 IKED CCCCCCCCCN(C)C(=O)Nc1cc(F)ccc1N1CCCN(C(C)=O)CC1 790543157 QTLNFMUHROITII-UHFFFAOYSA-N 434.600 5.099 30 20 IKED CCN(C(=O)C#Cc1ccc(C(F)(F)F)cc1)[C@H](c1cccnc1)c1ccc(F)c(F)c1 790633460 WBGNHLZDTQTNDY-QHCPKHFHSA-N 444.403 5.368 30 20 IKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccsc2)N(CCC=C(C)C)C1=O 790727441 ONOPZWVCGORCQC-LJQANCHMSA-N 443.594 5.073 30 20 IKED CC(C)c1ccc(N2Cc3ccc(NC(=O)[C@H](C#N)Cc4ccc(C#N)cc4)cc3C2)cc1 791690277 POSNQRTWOAASEE-DEOSSOPVSA-N 434.543 5.523 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(c3ccccc3F)CC2)cc1 806200259 BRMDQGSSLQLVBO-QHCPKHFHSA-N 428.511 5.225 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 806350040 XQUMTFBYNGPNRX-QGZVFWFLSA-N 439.434 5.069 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1cccc(Br)c1 813064289 LUPLPBBPJBQSBS-SCLBCKFNSA-N 436.334 5.424 30 20 IKED CC(C)(C)OC(=O)N[C@H](CCCCC#N)c1nc(-c2cccc(Br)c2)no1 904293530 DWIKXGVRXKZTJQ-OAHLLOKOSA-N 435.322 5.149 30 20 IKED Cc1cccc(-c2nn(Cc3ccccc3)cc2/C=C2/S/C(=N/C3CCCC3)NC2=O)c1 915856957 GQHXBNLYHRKMSU-HZHRSRAPSA-N 442.588 5.409 30 20 IKED N#C[C@H](C(=O)COc1c(Cl)cccc1Cl)C(=O)Nc1ccc(SC(F)F)cc1 916888089 UPUNJRFGUXEUOW-GFCCVEGCSA-N 445.274 5.034 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cn(Cc2ccccc2)c2ccccc12 916903397 NDCGPTUQDNADFO-XMMPIXPASA-N 449.554 5.776 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1 916919488 YPSJFWKMILQSEN-VWLOTQADSA-N 445.478 5.252 30 20 IKED Cc1cc(O[C@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1Cl 916932180 RWJQQODEUSVSSB-BXUZGUMPSA-N 425.699 5.070 30 20 IKED COc1ccc(-c2nnc(S)n2N=Cc2c3ccccc3cc3ccccc23)c(OC)c1 917029655 JGRZOOPQQZHCEP-UHFFFAOYSA-N 440.528 5.440 30 20 IKED Cc1nc(NC(=O)CCN2c3ccccc3Sc3ccccc32)sc1SCC#N 917202762 TUXJHDUOJZONFM-UHFFFAOYSA-N 438.603 5.699 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\S/C(=N/C3CCCCC3)NC2=O)cs1 917563259 NYSBRQFGLRLGPR-UNOMPAQXSA-N 440.594 5.029 30 20 IKED CCOc1c(Cl)cc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)cc1OC 917644775 KQLUWTQTJJAURX-YVLHZVERSA-N 430.938 5.025 30 20 IKED Cc1ccc(-c2nc(C=Nn3c(S)nnc3-c3ccc(Cl)cc3Cl)cs2)cc1 918709668 QMWPPKOXEDKYMB-UHFFFAOYSA-N 446.388 5.855 30 20 IKED COc1ccc(OCc2nc(/C=C\C(=O)c3cnn(-c4ccccc4)c3C)cs2)cc1 920066299 WUCNEZSRJMFPOR-JYRVWZFOSA-N 431.517 5.121 30 20 IKED Cc1cc(CSc2ccccc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)on1 921011040 MFWXEZINRYBFEX-UHFFFAOYSA-N 441.512 6.192 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)oc3C(F)(F)F)cc2)CCC1 1787399693 XVUDJHMFLFWZJT-CQSZACIVSA-N 434.458 5.567 30 20 IKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4cc[nH]c4cc3F)cc2)CCC1 1790068838 IDFMUDBWVGNPHC-NRFANRHFSA-N 439.556 5.009 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)c(F)c3)cc2)CCC1 1790614855 PDZOZQQAWYSZGP-UHFFFAOYSA-N 444.934 5.210 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccc(C)cc3)CCC2)cc1 1792264253 JSZBPOHEYSJQFB-UHFFFAOYSA-N 437.543 5.218 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)C[C@H](C)c2ccccc2)[C@H]1c1cccnc1 1812729043 QLXIZWSADQCLJX-MAFNXUKGSA-N 445.607 5.050 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2ccc(C)cc2)[C@H]1c1cccnc1 1812741623 VBJDBYAQPRHYCU-AZGAKELHSA-N 447.623 5.021 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3ncccc3c2)[nH]n1 1814829799 VCYQMQURPYJTCJ-QHCPKHFHSA-N 443.551 5.032 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(Cl)cccc2Cl)n[nH]1 1820435435 XAOLKRWHCOBGKS-GOSISDBHSA-N 447.366 5.216 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc(Cl)s2)CC1 1823753900 NTCSMPBEPMPFBP-QGZVFWFLSA-N 438.037 5.022 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)c(OC)c2)CC1 1823755272 QRUCBPPQWGHDOR-QFIPXVFZSA-N 444.591 5.060 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC)cc2C)CC1 1828827864 YBZXLVOBLGZNNS-ILBGXUMGSA-N 438.612 5.005 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)c(OC)c2)CC1 1832585598 UAFOTNFIMGATPG-JOCHJYFZSA-N 444.591 5.060 30 20 IKED Cc1ccc(-c2nnc(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n2-c2ccc(C)cc2)cc1 10263610 MDVFJHZZYISEDU-CLOONOSVSA-N 447.608 5.086 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccccc2C)cc1 11168502 MPSKGEJYSXKMFW-UHFFFAOYSA-O 429.609 5.775 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2cccc(CO)c2)cc1 20887800 VKEGQSDZCVOUID-UHFFFAOYSA-O 433.597 5.123 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccccc1 21754709 NUBGDPGEFIHNNH-INIZCTEOSA-N 426.973 5.521 30 20 IKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1-c1ccc(F)cc1 22206226 VGZXBUNQQJXBPI-UHFFFAOYSA-N 427.892 5.266 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(Nc3ccccc3F)s2)cc1 23210380 SJWVMEUJCKDDJN-HNNXBMFYSA-N 441.557 5.157 30 20 IKED N#CCOc1ccc(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 32812092 SQKMVPBFZCRGEL-JLHYYAGUSA-N 425.513 5.458 30 20 IKED COc1ccccc1-c1nc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cs1 58693890 WWDSXIAFPQHEPS-UHFFFAOYSA-N 443.553 5.770 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C 62897595 LCTFVJDHWOZOEQ-UHFFFAOYSA-N 449.555 5.355 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1)c1nnc2n1CCCCC2 64102172 HQSZESVFAYNCOV-ZDUSSCGKSA-N 431.348 5.530 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)cc2)c1 78719881 KHUKQOVWVIYTTL-UHFFFAOYSA-N 445.425 5.855 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1 97151110 PCDZOVUFYVVQCM-HSZRJFAPSA-N 444.556 5.661 30 20 IKED Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cccc(COc2ccccc2C#N)c1 303618093 WMVDOKDGWAYOBX-UHFFFAOYSA-N 436.471 5.280 30 20 IKED COC(=O)c1cc([C@H](C)SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)oc1C 431098136 BXXBLLVOKWVLSI-ZFWWWQNUSA-N 432.567 5.059 30 20 IKED N#CCCn1cc(CNc2cccc(COc3cccc(F)c3)c2)c(-c2ccncc2)n1 433318392 OJFRPNFRKCJDAP-UHFFFAOYSA-N 427.483 5.189 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)C34C[C@@H]5C[C@H](C3)CC(C(F)(F)F)(C5)C4)CC2)c1 433693630 DPOUVHDGOYSTHM-WVKNIADZSA-N 432.486 5.077 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N(C)[C@H](C)c1ccc(-c2ccccc2OC)cc1 437844974 VMXLWCQUDIMDFR-GOSISDBHSA-N 429.520 5.857 30 20 IKED CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)s1 437901229 UNIVIVGPRGYOKV-SFHVURJKSA-N 448.592 5.884 30 20 IKED C[C@H](CCc1cccn1C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 437966571 YPSJFPVMGDGWKW-QGZVFWFLSA-N 436.943 5.272 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(CCN(C)C)Cc1cccs1 438585329 KVKYPOFJZJFPBB-UHFFFAOYSA-N 448.592 5.103 30 20 IKED C=CCOc1cccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 438655501 KNHWDPKSEHNKEP-QFIPXVFZSA-N 445.906 5.137 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)cc1 439510672 HHMXUMBVUIJGPI-WIQPIVSASA-N 449.551 5.153 30 20 IKED COc1ccc(Cl)cc1NC(=O)CCSCc1ccc(C#N)cc1OC(F)F 439542146 OVRJRYQWDYDZCI-UHFFFAOYSA-N 426.872 5.084 30 20 IKED CC1(C)CCC(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 441937648 APWLGMXUZCPTHZ-UHFFFAOYSA-N 425.916 5.027 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(Oc4cccc(Cl)c4Cl)nc3)[nH]c12 442729057 HZCDDVIOPUVFLP-AWEZNQCLSA-N 437.286 5.856 30 20 IKED C=CCN(C(=O)c1cnc([C@H](C)OCC)s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 443814543 HUFYKWNSTIBNSM-ZDUSSCGKSA-N 444.538 5.105 30 20 IKED COc1cccc(C2(NCc3cccc(OCc4cccc(C#N)c4)c3)CCOCC2)c1F 446826391 NUQUDATZPVTYRX-UHFFFAOYSA-N 446.522 5.080 30 20 IKED C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 460803687 NHMLLCOKVKRVLA-UHFFFAOYSA-N 449.624 5.147 30 20 IKED C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCC[C@H]1c1ccc(Br)c(C)c1 460958284 KDZYWTKVUUBKEX-OALUTQOASA-N 431.378 5.118 30 20 IKED CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1cc(-c2cccc(C#N)c2)no1 468914327 ILUHDXJQBROQGH-SFHVURJKSA-N 438.325 5.069 30 20 IKED C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(SCC(F)(F)F)cc1 469277752 WMKYBRYYNSYSDM-INIZCTEOSA-N 447.526 6.097 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3cccc(Oc4ccccc4)c3)ccc21 469952003 DUXNCKWWHNBPCW-UHFFFAOYSA-N 425.488 5.314 30 20 IKED Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1C 470564452 PGQWIQKZMQSPMW-XMMPIXPASA-N 430.552 5.255 30 20 IKED Cc1c(NC(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)cccc1C(F)(F)F 471850495 ZKWPUEWFEXKECN-UHFFFAOYSA-N 432.299 5.005 30 20 IKED Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)N(CCC#N)Cc1ccccn1 473785070 MAYCHZLJNOSYOK-UHFFFAOYSA-N 434.927 5.570 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 475579670 BYEHUMSQNPKNLF-QHCPKHFHSA-N 442.003 5.387 30 20 IKED N#CC[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1Br)c1ccccc1 476482158 IFCFMTGODCNMBP-CYBMUJFWSA-N 427.220 5.374 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1 478751741 AWVJHQIYFDWVRX-UHFFFAOYSA-N 429.549 5.275 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)NCCc1coc(-c2ccc(F)cc2)n1 480570582 CZFDXISJHAVOOY-UHFFFAOYSA-N 427.435 5.117 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(C)cc2NCC)nnc1-c1ccc(Cl)cc1 480815196 YKZRGABYPKRYJI-UHFFFAOYSA-N 441.988 5.256 30 20 IKED N#Cc1cc(F)ccc1CSc1nnc(Cc2cccs2)n1CCc1ccccc1 483183203 YLBWPBNLJJJUCX-UHFFFAOYSA-N 434.565 5.476 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(C3CC3)cc2)cc1Cl 484335688 FOFXJSSUKJLKBB-HSZRJFAPSA-N 443.934 5.128 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc(C4CC4)nc4ccccc34)c2)c1 490434354 PYYMGZDADBWAGN-UHFFFAOYSA-N 432.483 5.488 30 20 IKED N#Cc1ccc(Br)c(CSc2nnc(-c3ccncc3)n2-c2ccccc2)c1 491850738 MIWVEZBKMXFXCR-UHFFFAOYSA-N 448.349 5.256 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCn2c(C)nc3ccccc32)cc1 493971242 KVQCAHLFSIFCHB-UHFFFAOYSA-N 426.476 5.046 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 499891034 BHDKMLWSQHWTQZ-DNVCBOLYSA-N 447.507 5.145 30 20 IKED Cc1onc(CC(=O)Nc2ccc(Oc3ccccc3Br)c(Cl)c2)c1C#N 500015841 GTXSFTMBPWUPLO-UHFFFAOYSA-N 446.688 5.244 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H](c3ccccc3F)C2)cc1 504056869 NEJLPLCGNONKLF-SFHVURJKSA-N 431.467 5.520 30 20 IKED CC[C@H](C)n1c(SCC(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)nnc1-c1ccccc1 504067494 ASLRAYALVOTZJY-RBUKOAKNSA-N 447.608 5.490 30 20 IKED CCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)[C@@H]1CCSc2ccc(Br)cc21 504641300 DDZUFMVAXLZAPY-IFXJQAMLSA-N 445.382 5.174 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H](COc3ccccc3)C2)cc1 506954929 NEEIGVZMHCLFRX-HXUWFJFHSA-N 443.503 5.292 30 20 IKED C=CCn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N1CCC[C@@H](COCC)C1 508924897 ZGYGMBBIHXQVOQ-LJQANCHMSA-N 443.551 5.192 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccccc3OC(F)F)c2)cc1 509919462 LEROWDIHBSQIHO-UHFFFAOYSA-N 437.446 5.255 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc2c(c1)CCC(=O)N2 510670388 WWZJIFSRSVTJDM-INIZCTEOSA-N 426.476 5.118 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2CC)cc1 511748647 RGDZJNFUPIJCKH-UHFFFAOYSA-N 448.954 5.155 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)n2)cc1 512503241 HMGALPMRSUXPEM-QGZVFWFLSA-N 435.505 5.514 30 20 IKED COCCSc1ccc([C@H](C)NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1 513212732 PQKXRWWOROTUIW-IBGZPJMESA-N 446.572 5.367 30 20 IKED Cc1ccc(-n2ncc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)c2C(F)(F)F)cc1 513686577 BPLSMXNVZCQBGK-CQSZACIVSA-N 426.423 5.299 30 20 IKED COc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1OC(C)C 519106485 AENMNNCKHOFTPX-NRFANRHFSA-N 434.923 6.044 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cccc(N2CCCC2=O)c1 519988316 NCYLVSCRHRRWKD-SFHVURJKSA-N 440.503 5.360 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NC[C@@H]3CCCN(Cc4cccs4)C3)c2)cc1 520599908 QWXFTPOHRHNTGE-FQEVSTJZSA-N 446.576 5.446 30 20 IKED COc1ccc([C@@H](Cc2ccc(F)cc2)N[C@H](C)C(=O)N(CCC#N)c2ccccc2)cc1 520625195 RSATUICJFGLFBH-FQRUVTKNSA-N 445.538 5.043 30 20 IKED Cn1ccnc1SCc1cccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 521324741 GBQWYBNCYYMISD-UHFFFAOYSA-N 440.528 5.629 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(Br)ccc3Cl)cc2)nc1 521929632 HKJQNTRTFONHLL-UHFFFAOYSA-N 428.673 5.414 30 20 IKED COc1cc(CN(C)C(=O)c2cccc(COc3ccc(C#N)cc3)c2)ccc1SC 522311768 KFHNNFLWHYRREV-UHFFFAOYSA-N 432.545 5.140 30 20 IKED COc1ccc(CCN(CC(C)(C)C)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 522464755 ZLVQAPLCNJREMI-LJQANCHMSA-N 439.625 6.070 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@H](c3ccccc3)C(F)(F)F)c2)cc1 523766402 IMHXIBHGIKVLAL-JOCHJYFZSA-N 439.437 5.757 30 20 IKED Cc1nc(-c2ccsc2)ccc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 523870208 WMRWUXKRODLGDT-UHFFFAOYSA-N 438.512 5.495 30 20 IKED Cc1nc(-c2ccc([C@@H](C)NC(=O)Nc3cc(C#N)ccc3OC(F)F)cc2)cs1 524435467 WXCJIEYZQQGXTG-GFCCVEGCSA-N 428.464 5.474 30 20 IKED O=C1CCCN1C[C@H](NCc1ccc(F)c(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 535192726 WEPRBQYNEDECRY-SFHVURJKSA-N 448.382 5.317 30 20 IKED CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 538337276 KAKSEWGKVLNMTC-XDHUDOTRSA-N 434.536 5.496 30 20 IKED Fc1ccc([C@@H]2C[C@@H]2c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)no2)cc1 540512128 BZKGSFMPGHONKP-STQMWFEESA-N 447.310 5.502 30 20 IKED C[C@@H](Sc1cccc(Cl)c1C#N)c1nc(O)c2c(-c3cccs3)csc2n1 541173249 OJBOOLJKSYZALH-SNVBAGLBSA-N 429.979 6.504 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnn(CCC(F)(F)F)c2)cc1Cl 541292828 CBMJBOAQTPDPRA-SFHVURJKSA-N 432.833 5.397 30 20 IKED CCNC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(C)c1 542016822 ICOXLBWXEPBANJ-SFHVURJKSA-N 426.520 5.166 30 20 IKED CC[C@@H](NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nnc2n1CCCCC2 542077977 LFOPZOPADMYFHR-WZONZLPQSA-N 442.567 5.055 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(OC(C)(C)C)cc1)c1ccc(-c2cccc(C#N)c2)cc1 542994290 KAFJGRWHXGUTFZ-GOSISDBHSA-N 441.531 5.218 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1 543598391 ZSAWDDDQQQMYQU-BVAGGSTKSA-N 444.506 5.790 30 20 IKED COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 544232838 DCLIXMYEEUXCKK-IZZNHLLZSA-N 439.559 6.259 30 20 IKED N#Cc1ccccc1COc1ccc(-c2nc(-c3cccc(Cn4ccnc4)c3)no2)cc1 545568839 MFWAMCGUHWYPOB-UHFFFAOYSA-N 433.471 5.099 30 20 IKED N#Cc1ccccc1COc1cccc(CN[C@@H](c2cncc(Br)c2)C2CC2)c1 551619695 KUJHDMCQKSJVRA-XMMPIXPASA-N 448.364 5.536 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccnc(Oc2ccc(F)cc2F)c1 553121422 VFUJXFSJAJKPPT-UHFFFAOYSA-N 426.467 5.148 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 553454115 SNXACTCRCRCLHE-UHFFFAOYSA-N 441.963 5.095 30 20 IKED CN(C(=O)c1ccc(NCc2cccn2Cc2ccccc2C#N)cc1)C1CCCCC1 556617995 SIZDVGSMSUTNOG-UHFFFAOYSA-N 426.564 5.425 30 20 IKED C=CCOc1ccc(CNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1 557062717 PGLPMZXPVBIEAK-UHFFFAOYSA-N 426.925 5.149 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1 557565926 WXZQYLPXHGGHOV-VDKIKQQVSA-N 442.490 5.134 30 20 IKED C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 566381252 DLLJZVIJQDYWJZ-YLJYHZDGSA-N 439.962 5.362 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1Cl 603765979 HGTKFCMJHUIILL-SWYGDWJOSA-N 434.967 5.655 30 20 IKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N 603774303 GQYNYDXKVPTZFI-UHFFFAOYSA-N 444.560 5.170 30 20 IKED CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1sc(-c2ccccc2)cc1C#N 603968302 KLQVMOYNTMTPKC-FQEVSTJZSA-N 437.952 5.333 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3nc(O)c4ccccc4n3)cc2Cl)cc1 604027031 XFQVIGHJQWNLQL-UHFFFAOYSA-N 444.878 5.224 30 20 IKED COc1cc([C@@H](C)NC(=O)N(C)Cc2cccc(C#N)c2)ccc1OCc1ccccc1 604078251 ZWTHEOCNYFPUJB-LJQANCHMSA-N 429.520 5.048 30 20 IKED Cn1ccnc1Sc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 604327410 QLVKVPJBONJJTE-UHFFFAOYSA-N 440.528 5.274 30 20 IKED CSCc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)oc2ccccc12 604357729 VYWAXMLOPQGHCQ-UHFFFAOYSA-N 428.513 6.521 30 20 IKED N#Cc1c(NC(=O)c2cnc(Cc3ccc(F)cc3)s2)sc2c1-c1ccccc1CC2 608895840 BDQRKSGHCMCDGL-UHFFFAOYSA-N 445.544 5.824 30 20 IKED N#Cc1ccsc1C(=O)Nc1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1 609062745 FMDYPTQCHDGNDH-UHFFFAOYSA-N 426.423 5.289 30 20 IKED C[C@@H](Sc1ccc(Br)cc1)C(=O)Nc1cc(C#N)ccc1OC(F)F 609066568 FHVZPMDSZHWKMK-SNVBAGLBSA-N 427.270 5.041 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c23)cc1 609413493 GBLWMFUUVSKOKG-UHFFFAOYSA-N 440.503 5.466 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1nc(-c2ccccc2Cl)cs1)c1ccccc1 609522153 PEEHGCZNLPLQCO-UHFFFAOYSA-N 438.940 5.129 30 20 IKED N#CCCn1cc(CN[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(-c2ccccc2)n1 609598444 KJSORCLBAJNQEE-PIIMJCKOSA-N 444.423 5.463 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ncc(-c2ccccc2)o1 610094006 BPCWKSZDNVLLHF-MRXNPFEDSA-N 425.448 5.283 30 20 IKED C[S@@](=O)c1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 610629205 OGYRQKHADSENQA-IIMAJNMQSA-N 437.952 5.055 30 20 IKED CCCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)[nH]c(C)c1C(C)=O 613319564 IIXXFGZAXTXONP-KRWDZBQOSA-N 425.941 5.745 30 20 IKED C=C(C)COc1cc(CNC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OC 622266627 VAMZIMWWBSHQPL-HUUCEWRRSA-N 425.413 5.649 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(Br)cc1F 642158442 RJUBJUOXTADHKQ-MBTKJCJQSA-N 436.165 5.228 30 20 IKED COc1ccc(NC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)c(C(F)(F)F)n1 669991449 WCIGGPPVRLOSBH-LBPRGKRZSA-N 425.304 5.063 30 20 IKED CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 670801674 QEBUBHDIDPVEPZ-MRVWCRGKSA-N 435.330 5.473 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2cccc(OCC(F)(F)F)c2)c1C(F)F 676156308 YGCONOHYZIBCRQ-UHFFFAOYSA-N 431.283 5.053 30 20 IKED N#C[C@@H](C(=O)c1cnc(-c2ccncc2)s1)c1nc2cc(C(F)(F)F)ccc2s1 677791233 LBCLTVPJOFYWKX-LBPRGKRZSA-N 430.436 5.324 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 679332957 PFSAUOIKCDVGRE-UHFFFAOYSA-N 444.482 5.232 30 20 IKED N#C[C@H](C(=O)c1coc(-c2ccc(Br)cc2F)n1)c1ccc2ccccc2n1 679368309 JHSXYCODHYSEEW-HNNXBMFYSA-N 436.240 5.281 30 20 IKED O=C(Nc1cc(-c2ccccc2F)on1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 683969037 YDZVFZUZXFNGIJ-UWVGGRQHSA-N 439.331 5.512 30 20 IKED O=C(N[C@H]1CCCc2ccc(F)cc21)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 684363437 QMMKLJCCVOIEIZ-DMEJVMROSA-N 426.376 5.412 30 20 IKED N#C[C@@H](C(=O)COc1ccccc1OCC(F)(F)F)c1nc2cc(Cl)ccc2s1 727954988 XUSNMPNLFGNAHX-LBPRGKRZSA-N 440.830 5.146 30 20 IKED N#CCc1ccc(NC(=O)CNc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)cc1 728052775 LVEAVECBYAJZKC-UHFFFAOYSA-N 439.437 5.401 30 20 IKED C#Cc1cccc(N(CC)C(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)c1 728480341 OBWFNIHSYJTIEU-UHFFFAOYSA-N 425.463 5.554 30 20 IKED N#C[C@@H]1C(CN(Cc2ccccc2F)C2CCCCC2)=CC(=O)n2c1nc1ccccc12 729474623 KKFODGOVDLEVHC-OAQYLSRUSA-N 428.511 5.198 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H](C)Sc1ccc(Cl)cc1 731065903 OXMVLSCJHJVBMZ-LSDHHAIUSA-N 448.997 5.397 30 20 IKED N#CCOc1ccc(CC(=O)Oc2ccc(-c3nc4ccccc4s3)cc2Cl)cc1 731962143 FRPFBVLQDGZFFJ-UHFFFAOYSA-N 434.904 5.667 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(C(F)(F)F)cc2Cl)ccc1OC 733634970 ZLMOCDMOUREUEW-AWEZNQCLSA-N 441.837 5.370 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)ccc1OC 733646527 SZOBAZFWDKPLPR-XJKSGUPXSA-N 436.339 5.243 30 20 IKED CC(C)c1ccccc1NC(=O)COC(=O)c1cccc(COc2ccccc2C#N)c1 734201253 XDQNRQZKAZXLTG-UHFFFAOYSA-N 428.488 5.056 30 20 IKED CCOc1cc(CCCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1OC 736955924 QQUIKWOHHOYXMD-XMMPIXPASA-N 443.547 5.504 30 20 IKED CCc1ocnc1C(=O)N1C[C@H](c2ccc([N+](=O)[O-])cc2)SC1=Nc1ccccc1C 739495183 UIMNTSZHHMMQFM-LJQANCHMSA-N 436.493 5.072 30 20 IKED Cc1csc(-c2cccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2)n1 740535879 PSGYKFZUPYAPAM-HNNXBMFYSA-N 430.316 5.387 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3ccc(CSc4ccccc4)cc3)o2)cc1 741824635 DEQNUMIIOIGFIX-UHFFFAOYSA-N 427.485 5.258 30 20 IKED CC(C)(C)c1ncc(/C=C/C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)s1 742564565 VQUIYDGAGTTZBT-OUKQBFOZSA-N 431.561 5.738 30 20 IKED C[C@H]1CN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C[C@H](c2ccc(F)cc2)O1 743624636 GSFBOIZXRQPKHU-KSFYIVLOSA-N 435.524 5.097 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)C[C@@H](Cc1ccccc1)c1ccccc1 744031163 RTELKIILFULBCY-DHIUTWEWSA-N 426.516 5.149 30 20 IKED COCCN(CCCc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 744765271 ACJSLJJVGIBXPT-AREMUKBSSA-N 427.548 5.455 30 20 IKED COc1ccc(C2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)cc1 746025198 BUURLOHHOARGIC-SANMLTNESA-N 425.532 5.762 30 20 IKED COc1ccc(/C=C2/SC(=S)N(c3ccc(F)cc3F)C2=O)cc1OCCCC#N 747472770 AVKOCUKJRMWKOY-YBFXNURJSA-N 446.500 5.062 30 20 IKED COc1cc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3)n2)ccc1SC 747614875 NNXYNSBIALTHFP-YFHOEESVSA-N 442.537 5.593 30 20 IKED C/C(=C/C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 748186700 SJWAWHPJEWJZPB-CEIYIRBKSA-N 433.314 5.698 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(-c3ccccc3OC)on2)cc1 751142297 LFGYVRKVHZBLBB-UHFFFAOYSA-N 441.443 5.275 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3cc(C4CC4)nc4ccc(Cl)cc34)o2)c1 751724017 KWOUHGOLZYNMCE-UHFFFAOYSA-N 430.851 5.044 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Cc2csc3ccc(Cl)cc23)ccc1OC 751964831 HSPUSAPKCRYAST-KRWDZBQOSA-N 428.941 5.103 30 20 IKED CC[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccc(OC)cc1 752478091 XJZKDOUUEGJVOF-KUHUBIRLSA-N 432.492 5.241 30 20 IKED COC(=O)[C@@H](N[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1)c1ccc(C#N)cc1 754955156 XTGRGRYPVAZETJ-RBZFPXEDSA-N 425.941 5.209 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 755880082 MNIWXBKYENXRBJ-GOSISDBHSA-N 434.323 5.264 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc(F)ccc1Sc1ccc(Cl)cc1 759194573 UEFNXGYNOWWZLK-AWEZNQCLSA-N 426.900 6.173 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3nnc(S)o3)cc2)cc1Cl 759499929 VGZFBYBWFQTYKP-IBGZPJMESA-N 446.919 5.586 30 20 IKED C[C@H](OC(=O)CSCc1ccc(C#N)cc1)c1nc2cc(C(F)(F)F)ccc2n1C 764532484 ISZKHIPWHMLITQ-ZDUSSCGKSA-N 433.455 5.001 30 20 IKED CC(C)(C)c1cc(NC(=O)c2cnn(-c3ccccc3)c2Br)c(C#N)s1 765091524 BGEQSFNBIDMWKS-UHFFFAOYSA-N 429.343 5.118 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1cc(=O)oc2c(C)c(C)ccc12 768400749 IOCQIFYOMBKLKX-UHFFFAOYSA-N 447.560 5.367 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1C#N 768907486 VCZNCEAMQXGOFW-KRWDZBQOSA-N 438.381 5.081 30 20 IKED C[C@@H](CSCc1ccccc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 772970718 GXIHIQFMCBARKX-KSSFIOAISA-N 434.533 5.218 30 20 IKED O=C(/C=C/c1nc2ccc(Br)cc2s1)c1ncc(Br)s1 773142869 HCQVRCAUYQDVFO-ONEGZZNKSA-N 430.146 5.174 30 20 IKED C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(OCc2ccc(F)cc2)cc1 777114706 MDXVUUPEWUDOBP-IBGZPJMESA-N 445.538 5.411 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 780673637 XVIZRIUDPCWFFS-GDBMZVCRSA-N 434.323 5.360 30 20 IKED COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)Nc1ccccc1O[C@H](C)C#N 780679416 WWPSRMACQPJNNW-KDOFPFPSSA-N 444.329 5.118 30 20 IKED N#C[C@H]1C(CN[C@@H](c2cccc3ccccc23)C(F)(F)F)=CC(=O)n2c1nc1ccccc12 781348613 JYELOSOMIYWGMY-CVDCTZTESA-N 446.432 5.270 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc2cnccc2c1 782142211 FXXKFIMJDGLERX-UHFFFAOYSA-N 430.920 5.517 30 20 IKED COC(=O)C1C/C(=C/c2ccc3cnccc3c2)C(=O)/C(=C\c2ccc3cnccc3c2)C1 782355592 UMYNWLQHTSPQOS-CPGLPWGESA-N 434.495 5.402 30 20 IKED COc1ccc([C@H](C)C(C)=NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1OC 794511365 APAUEXJLTLVIJX-CYBMUJFWSA-N 445.445 5.166 30 20 IKED CC(C)C(=O)c1ccc([C@@H](C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 802045147 GONOYQLDTQCSHJ-DYVFJYSZSA-N 444.478 6.134 30 20 IKED C=CCNC(=O)c1ccccc1NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl 914719105 BLNCHJGXHNHNAC-UHFFFAOYSA-N 438.858 5.742 30 20 IKED O=C(Nc1cccc(C=NNCc2cccc3cccnc23)c1)c1ccc(Cl)cc1Cl 915962334 HIVCWBVLTFHBEF-UHFFFAOYSA-N 449.341 5.918 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 916909776 UWEMJQKEFNAJOS-CXAGYDPISA-N 433.335 5.233 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCC(=O)c2ccc3ccccc3c2)cc1 916912472 AMOPVDHEUNCURT-DEOSSOPVSA-N 426.516 5.493 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccccc3Br)n2)cc1 916973968 BCWKBDJFRWUHAI-QGZVFWFLSA-N 425.351 5.690 30 20 IKED Cc1ccc(-c2noc(CCC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)n2)cc1F 918154751 BTEBQLNRZWWVSF-JOCHJYFZSA-N 440.478 5.411 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CCc1ccccc1)CCN(C)C 919915274 AKPOMOLSEIJVEP-UHFFFAOYSA-N 442.563 5.297 30 20 IKED CC(C)COC(=O)Nc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 920224699 NDMACCBYBOCJHV-UHFFFAOYSA-N 445.544 6.166 30 20 IKED Cc1ccc(N(CCC#N)C(=O)CNc2nc(C)nc3sc(-c4ccccc4)cc23)cc1 1544742801 QDGCUGKHHOYBBS-UHFFFAOYSA-N 441.560 5.334 30 20 IKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(C(C)(C)C)oc3C)cc2)CCC1 1787390313 ZAJHGOIIZDHAOF-GOSISDBHSA-N 438.568 5.224 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CNc4ccccc43)cc2)CCC1 1788047264 PNRYPCOLMVGGOL-GGAORHGYSA-N 429.564 5.098 30 20 IKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccoc3C(F)(F)F)cc2)CCC1 1788726101 ZPRALOKYDFEYDE-INIZCTEOSA-N 440.487 5.001 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5occc5c4)cc3)CCC2)cc1 1789049778 YQWRZYXLLHVXAK-UHFFFAOYSA-N 449.510 5.560 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4nc[nH]c34)CCC2)cc1 1789625848 AKZVAZNAUPIBRW-UHFFFAOYSA-N 430.552 5.303 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccoc4)CCC3)cc2)c(Cl)c1 1790764021 LAPUVROCRICORM-YCRREMRBSA-N 445.906 5.266 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)C(=O)CC4)cc2)CCC1 1790884291 VTCOYNGYQXBCNI-HSZRJFAPSA-N 442.559 5.332 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cnc4c(F)c(F)ccc4c3)CCC2)cc1 1791584104 MYPYUEQVYYNXPL-UHFFFAOYSA-N 447.485 5.064 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(Cl)c2)[C@H]1c1cccnc1 1811819994 SHZZYKWFXIGZQL-IFMALSPDSA-N 439.987 5.047 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(F)c2)[nH]n1 1819309051 KXDHEWNJRNSLLS-OXQOHEQNSA-N 444.938 5.277 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CC[C@H](CCC)CC2)n[nH]1 1822101470 RHTCHKKCBRXGHN-ONTIZHBOSA-N 426.605 5.202 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccccc3o2)CC1 1828827980 ASXIQEFFQRERID-XZOQPEGZSA-N 434.580 5.435 30 20 IKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnc(-c4ccccc4)s3)CC2)C1 1829418964 GBNNFGUFFPXDNY-JOCHJYFZSA-N 449.620 5.010 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC2CCC(C)(C)CC2)CC1 1832030213 IRBFYRFFVHUAEU-XMMPIXPASA-N 428.661 5.406 30 20 IKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)c2ccc(Oc3ccccc3)cc2)C1 1845312276 YKXCKAGATXVMRJ-UHFFFAOYSA-N 430.548 5.064 30 20 IKED C#CCCCCC(=O)N1CCCC12CN(C(=O)C1CCC(c3ccc(Cl)cc3)CC1)C2 1846487645 WAHKBRWLQORFND-UHFFFAOYSA-N 441.015 5.011 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)c2cc(C)n(-c3nccs3)c2C)n1 22723163 KSFYJFLSLKABEE-UHFFFAOYSA-N 436.484 5.120 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccccc2)cc1 22733105 NFOIIMNPJJFTAA-UHFFFAOYSA-O 446.379 5.731 30 20 IKED CCCOc1ccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)cc1OC 58759065 BXWLZJHTMCHQOS-UHFFFAOYSA-N 432.545 5.437 30 20 IKED COCCOc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F 60014783 HRZOCQNNWPYIOC-UHFFFAOYSA-N 425.300 5.141 30 20 IKED CCN(CC)c1nc2sc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc2s1 62676352 GHFBPGTUPBYRKS-AWEZNQCLSA-N 438.603 5.818 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3ccccc3SCCC#N)c3c(C)noc3n2)c(C)s1 78668512 DNGPFXKJUJPWIU-UHFFFAOYSA-N 448.573 6.135 30 20 IKED Cc1sc2ncnc(SCC(=O)Nc3ccccc3SC[C@H](C)C#N)c2c1C 303262635 FOFYIMFXLJMFJY-GFCCVEGCSA-N 428.608 5.291 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)cc1 303297229 CAQUXJBZTJGCOE-UHFFFAOYSA-N 442.441 5.159 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN([C@@H](C)c2ccccc2Cl)CC1 303393656 PGUIQMQPUDXUJJ-ROUUACIJSA-N 443.016 5.502 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](Cc1ccccc1)c1ccccc1 303395551 PNQZZEPWUQTRAX-YKSBVNFPSA-N 429.589 5.593 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)c1ccc(OC)c(Cl)c1 428063283 SLPCYYHNKVJOIV-HNNXBMFYSA-N 427.957 5.080 30 20 IKED N#CCSc1cccc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)c1 429860807 QBOUKDRMXIPEQD-IBGZPJMESA-N 448.375 5.242 30 20 IKED Cc1nc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)nn1-c1c(Cl)cccc1Cl 430587333 ZFBWCHCFMDVOQD-LLVKDONJSA-N 434.352 5.127 30 20 IKED O=C(Nc1cc(F)ccc1OCC(F)(F)F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2 433514458 CNOVZTWTMPNMQL-CCHVVGMOSA-N 439.371 5.854 30 20 IKED Cc1cc(C)cc(Oc2ccc(NC(=O)C(=O)Nc3cccc(OCCCC#N)c3)cc2)c1 437065414 MOKGQKQETMPTSW-UHFFFAOYSA-N 443.503 5.356 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(CSC2CCOCC2)c1 438485085 SSTSTKDVGBRDQA-DNQXCXABSA-N 435.593 5.402 30 20 IKED Cc1csc(-c2cccc(NC(=O)C(=O)Nc3ccccc3S[C@@H](C)CC#N)c2)n1 439093911 ADSKPPKMBWIEDE-HNNXBMFYSA-N 436.562 5.090 30 20 IKED CCCc1c(NC(=O)Cc2csc(-c3cccs3)n2)cnn1-c1cccc(C#N)c1 440081345 SLQDBPCYRFSSAY-UHFFFAOYSA-N 433.562 5.063 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1cccc2cccnc12)c1ccc(C(F)(F)F)cc1 442030359 LAJSUABCZBHDOE-GOSISDBHSA-N 427.426 5.016 30 20 IKED Cn1ccnc1[C@@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 444858335 XZMXHZZNTMNYBB-WIYYLYMNSA-N 433.943 5.140 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1cccc(N2CCCC2)c1 446797539 XVZDHTDSQNPSCY-HXUWFJFHSA-N 441.600 5.942 30 20 IKED C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 460815119 OHBURFGTWUJXBU-KXBFYZLASA-N 439.387 5.227 30 20 IKED Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 461198035 QYHRUUZGDISTAW-UHFFFAOYSA-N 445.338 5.825 30 20 IKED COc1cc(CN2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)ccc1OCc1cccc(C#N)c1 463210930 HRMVGVWRQBWNNT-GVAUOCQISA-N 434.580 5.051 30 20 IKED C[C@H]1CCCN(c2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)ccn2)C1 464182891 GTZGQTLTOTXARW-KXBFYZLASA-N 436.968 5.585 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(-c2nc(CC(=O)Nc3ccccc3Cl)no2)cc1 464784148 VXWUKMWNYZCTOC-UHFFFAOYSA-N 444.878 5.544 30 20 IKED COc1ccc(C(=O)Nc2ccc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)s2)cc1 467064429 MVKIIOMFMXQPPS-HNNXBMFYSA-N 425.535 5.079 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCC3)on2)c1 468819420 CWJWMCLSKOIKFH-UHFFFAOYSA-N 426.398 5.085 30 20 IKED Cc1nc(Cc2ccccc2)sc1[C@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469191277 JJOZYOPQQHWQFC-SFHVURJKSA-N 444.604 5.798 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCC(=Cc4cccc(F)c4)CC3)ccc21 470549650 OWRALPHHRBLREO-UHFFFAOYSA-N 446.526 5.120 30 20 IKED CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 470619090 CPHWCABXXLBUPA-HXUWFJFHSA-N 431.458 5.526 30 20 IKED Cc1ccc(NC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)c(OCc2ccccc2)c1 471358644 VVNZMNIELUCROY-QHCPKHFHSA-N 440.547 5.004 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CCc1nnc(C2CCCC2)o1 471709119 LLEZFMOCWKRGNG-UHFFFAOYSA-N 434.927 5.418 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC=C(c2c(F)cccc2F)CC1 473148609 AXBCEEVNZVSNQU-MRXNPFEDSA-N 427.520 5.087 30 20 IKED COc1ccc2ccccc2c1-c1cc(CNC(=O)C[C@@H](CC#N)c2ccccc2)on1 476594578 JLDDLZVNYOCSSN-HXUWFJFHSA-N 425.488 5.207 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(F)c(Br)cc1F 477791266 NGWZDDHLUSONBS-UHFFFAOYSA-N 427.293 5.115 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)N2CCC[C@H]2c2nc3ccccc3s2)CC1 479199244 ZHJPBVXTGBTZDW-GRERDSQWSA-N 446.576 5.405 30 20 IKED O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CCC(F)(F)C1 480728443 KZNGRHNHLIWKRD-WRWORJQWSA-N 443.256 5.879 30 20 IKED COCC[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(C)o1 481660549 UREKLQOAOVYDCV-HSZRJFAPSA-N 433.508 5.132 30 20 IKED Cn1ccnc1C[C@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 483049701 JIYFSKUKGOPVOE-GCJKJVERSA-N 447.970 5.216 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)c1nccc2ccccc12 483232803 HOWYAUKOZHRYBK-JOCHJYFZSA-N 434.430 5.581 30 20 IKED CCS[C@H](C)c1noc(CN(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)n1 483330478 LJOXUQANJCTPAG-OAHLLOKOSA-N 437.525 5.212 30 20 IKED CC(C)(C)OC(=O)c1ccc(Br)c(NC(=O)C[C@@H](CC#N)c2ccccc2)c1 484060103 UEIKFCVDOXJOPT-MRXNPFEDSA-N 443.341 5.430 30 20 IKED C=CCSc1ccccc1C(=O)NCc1cc(-c2c(OC)ccc3ccccc23)no1 485508724 WQLZCWZRCKSXOL-UHFFFAOYSA-N 430.529 5.712 30 20 IKED O=C(Nc1nc2ccc(OCC(F)(F)F)cc2s1)c1ccc(F)cc1C(F)(F)F 486837172 COGUSPLGUZGBDH-UHFFFAOYSA-N 438.324 5.648 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)Nc3c(Cl)cccc3Cl)o2)cc1 489769768 BFALZDUAYBXJKB-UHFFFAOYSA-N 436.320 5.339 30 20 IKED N#C[C@@H](C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cn1 489893929 XVDRFDVMRULRFL-GOSISDBHSA-N 441.365 5.078 30 20 IKED C=CCN(CCc1ccco1)C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 493984791 VFVAPWKUUGPFAO-UHFFFAOYSA-N 443.956 5.187 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 495623803 KBDQBKKKULOUOL-DZGCQCFKSA-N 436.606 5.218 30 20 IKED CCN(C(=O)CSCc1ccc(C#N)cc1)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 496536892 QNHARXQQVLMOJI-XMMPIXPASA-N 437.515 5.103 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1 502475992 ICEIXOFDIKIQNH-UHFFFAOYSA-N 449.463 5.029 30 20 IKED N#C[C@H](NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1)c1ccc(Cl)cc1 505820415 KUABQMOZFXSXSW-SFHVURJKSA-N 441.965 5.127 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NC(=O)Nc3ccc(C#N)c(Cl)c3)s2)cc1 506764154 TVRSDEHCVBQMIL-ZDUSSCGKSA-N 426.929 5.535 30 20 IKED Cc1cc(Cl)c(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1Cl 507975538 QNWHFRPUFQBRHZ-UHFFFAOYSA-N 445.306 5.277 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)c1ccc(C(F)(F)F)cc1 508251533 LKDSMPSRLOPHCN-PKOBYXMFSA-N 447.505 5.297 30 20 IKED COc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 508268916 RYGOXLLPTTUHFV-QHCPKHFHSA-N 443.503 5.737 30 20 IKED N#Cc1ccc(NC(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1Cl 511269440 VIDJRSQCBQNEJM-UHFFFAOYSA-N 436.865 5.017 30 20 IKED C[C@@H](SCC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nc2ccccc2[nH]1 511625013 JFAZKMLVUIZJRV-MRXNPFEDSA-N 428.517 5.660 30 20 IKED COc1cc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc(OC)c1 512798665 WCOAXQDBMUXCAN-HSZRJFAPSA-N 449.938 5.677 30 20 IKED COc1cc(Cl)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1OC 513782741 KNQOHERNRRSHGP-UHFFFAOYSA-N 440.858 5.199 30 20 IKED Cc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c(C)c1 516296894 SGPVBFIZYVDGAR-LJQANCHMSA-N 427.504 5.126 30 20 IKED CCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1OCC 516714250 XNPRFUCBNCYSDS-HXUWFJFHSA-N 445.544 5.749 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 517530478 RXLWVVKPLYXAPL-UHFFFAOYSA-N 437.503 5.475 30 20 IKED CC(=O)c1ccc(-c2ccc(C(=O)NC3CCC(Oc4ccccc4C#N)CC3)o2)cc1 517668526 SSYDTUGOCFOPMZ-UHFFFAOYSA-N 428.488 5.141 30 20 IKED CCOc1cc(CN(C)C(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1OC(F)F 518681762 JLEFFQUSZGHNRH-OAHLLOKOSA-N 449.523 5.602 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl 519427382 CMPFJRKLADZSEX-LLVKDONJSA-N 429.756 5.916 30 20 IKED COc1cccc(CN(C[C@@H]2CCCO2)C(=O)Nc2ccccc2S[C@H](C)CC#N)c1 520939490 YZZOBFWPAHKQKK-NQIIRXRSSA-N 439.581 5.303 30 20 IKED N#C[C@H](C(=O)c1ccc2c(c1)NC(=O)CCS2)c1nc(-c2c(F)cccc2F)cs1 521262649 PWBXBITUNGWDHS-GFCCVEGCSA-N 441.484 5.013 30 20 IKED COc1ccc(CSCC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1[N+](=O)[O-] 521324114 FWZBRMCNOFHJSM-UHFFFAOYSA-N 449.488 5.139 30 20 IKED COC(=O)CSCc1cccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 521929227 KTXGXBYEHTUKGI-UHFFFAOYSA-N 446.528 5.203 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)c2)c1 522481009 TXTZRKWBQUTVOF-QFIPXVFZSA-N 436.496 5.146 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 523964187 VQAJZDRWWRTODB-WBBHLRKXSA-N 438.593 5.182 30 20 IKED CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 524390544 RTFWUXSTABSJHU-UHFFFAOYSA-N 446.576 5.642 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 524439367 UQZXLWWVXVPODV-FTJBHMTQSA-N 441.531 5.488 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1Cc2ccccc2-c2ccccc2C1 524485798 KKPLFAJPENBTRC-HXUWFJFHSA-N 425.532 5.013 30 20 IKED C[C@@H]1CN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c2ccccc2NC1=O 524665101 MYIXGGFBRCRORV-OAHLLOKOSA-N 431.879 5.239 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N(Cc2cccnc2)Cc2ccco2)cc1 524670269 LHARNSXIQCKWRH-UHFFFAOYSA-N 427.435 5.320 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCc2nc(C(F)(F)F)cs2)c1 524885874 RTPHFVXSHHFYDV-UHFFFAOYSA-N 437.830 5.409 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 533998288 KTJYILWCOUVJHL-BEFAXECRSA-N 447.507 5.288 30 20 IKED Cc1cc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)ccc1NC(=O)c1cccs1 534024374 CNFFKHFKGIEFGZ-UHFFFAOYSA-N 442.462 5.109 30 20 IKED N#Cc1cccc(-c2cnc(CNC(=O)C3(c4cccc(C(F)(F)F)c4)CCCC3)[nH]2)c1 537681515 JLGPTJGCMXIGMT-UHFFFAOYSA-N 438.453 5.095 30 20 IKED CC(C)(C)c1cc(NC(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)c(C#N)s1 539175063 JARDQEDRGMVJTF-HXUWFJFHSA-N 445.544 5.112 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1ccccc1F)C1CCCC1 539325573 JWIHQQDJPBQBJO-MZNJEOGPSA-N 425.573 5.537 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 539617760 UEYSDTLKBWSRNI-FCHUYYIVSA-N 446.517 5.160 30 20 IKED CC[C@H](c1ccccc1)c1nnc(NCc2cn(CCC#N)nc2-c2ccccc2)s1 540791389 WQAUREMFWKALNZ-OAQYLSRUSA-N 428.565 5.469 30 20 IKED CCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1Cl 541136032 SSVGBYRGGMEXRP-INIZCTEOSA-N 447.922 5.093 30 20 IKED Cc1cc(Cl)ccc1Oc1ccc(CS(=O)(=O)CCCC2(C#N)CCOCC2)cc1 541929766 XFPUCSCCPWJPBA-UHFFFAOYSA-N 447.984 5.456 30 20 IKED C[C@@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1ccc(-c2cccnc2)cc1 542963375 XJHXWOQVWNIONX-MRXNPFEDSA-N 442.910 5.342 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC1CCC(c2ccc(F)cc2)CC1 543823556 DRGYDLUFRLYOFL-VQSBYGRUSA-N 439.556 5.001 30 20 IKED COCCOCc1cc(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1F 543856248 FCFSCPGXKPOOCD-GOSISDBHSA-N 432.495 5.018 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cncnc3-c3ccccc3)cc2Cl)c1 544022302 OLVPOUDJWBZIOO-UHFFFAOYSA-N 440.890 5.500 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2cc(Cl)cc3c2OCC3)cc1 544435634 VDZUNTBUCXETAQ-UHFFFAOYSA-N 432.907 5.101 30 20 IKED C[C@@H](N[C@H](C)c1nc(C(C)(C)C)cs1)C(=O)Nc1sc2c(c1C#N)CCCCC2 544484142 SSTSODUBGTXRIK-ZIAGYGMSSA-N 430.643 5.320 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)c1nc(-c2ccc(Br)cc2OC(F)F)no1 545788053 QKCPFQARAXFJKM-JTQLQIEISA-N 436.212 5.112 30 20 IKED Cc1ccc(Oc2ccc(-c3noc(CCc4c(C)nn(CCC#N)c4C)n3)cc2)cc1 547109025 PMEWSHFHYXLYPS-UHFFFAOYSA-N 427.508 5.350 30 20 IKED Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3sc4ccc(C#N)cc4c3C)C2)cc1 550471695 UMRZNHLSJDYOQO-IBGZPJMESA-N 446.576 5.064 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F 558293818 LIMYKPFFBCRZIM-UHFFFAOYSA-N 437.466 5.051 30 20 IKED CSc1nc(C2CC2)cc(-c2nc(C3(c4ccc(C)cc4)CCOCC3)no2)c1C#N 570085112 PEDSYHJRWXHDFF-UHFFFAOYSA-N 432.549 5.008 30 20 IKED N#C[C@@H](C(=O)c1c[nH]nc1-c1ccc2c(c1)OCO2)c1nc(-c2ccc(Cl)cc2)cs1 570701446 XHFGPXNFKXWIPI-HNNXBMFYSA-N 448.891 5.072 30 20 IKED CCO[C@@H](c1noc(-c2ncsc2C(F)(F)F)n1)c1ccc(F)cc1C(F)(F)F 571005985 WOHNQDGQUQPRHA-LLVKDONJSA-N 441.328 5.496 30 20 IKED CCCCS(=O)(=O)c1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 576696124 UBJDAJRXARWTRE-MRXNPFEDSA-N 432.954 5.014 30 20 IKED CC1(C(=O)Nc2cc3c(cc2Cl)CCC3=O)CCN(c2ccc(Cl)cc2C#N)CC1 584402878 AUWACNQRJUNQBV-UHFFFAOYSA-N 442.346 5.239 30 20 IKED N#CCCn1cc(CN2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c(-c2ccccc2)n1 589197938 CPEGTCPWSLFYCJ-QFIPXVFZSA-N 443.599 5.009 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nnc(Cc2ccccc2)s1 600852715 OSBIPHRLNPNDKA-UHFFFAOYSA-N 428.542 5.404 30 20 IKED CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 604312034 JMDREMOSPWQKIQ-GOSISDBHSA-N 443.572 5.631 30 20 IKED N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 608973959 OCDGVQHVFWCWTN-IBGZPJMESA-N 433.817 5.078 30 20 IKED CC[C@H](C)c1ccc([C@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C(C)C)cc1 608996714 FKZNSPIMGYNCMR-UQBPGWFLSA-N 433.600 5.132 30 20 IKED CC(C)c1c(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cnn1-c1ccc(Cl)cc1 609184723 DNAHYXDWQKOTST-UHFFFAOYSA-N 448.954 5.204 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](CC1CCCCC1)c1ccccc1 609439810 YZHJIGLFTWWEIV-AUSIDOKSSA-N 449.620 5.847 30 20 IKED CCOc1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c(C(F)(F)F)c1 609643204 CKCUTISWEHXSEY-UHFFFAOYSA-N 440.421 5.807 30 20 IKED Cc1ccnc(-c2cccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)c2)n1 609879126 QSEMTGGJMCAJNH-UHFFFAOYSA-N 436.540 5.868 30 20 IKED CC[C@@H](c1ccc(F)cc1)[S@@](=O)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 610012085 DMSDHLYVYOHEKN-FKAPRUDGSA-N 437.536 5.685 30 20 IKED C[C@@H](NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1cccc(C#N)c1 615767038 QMOYLVWLBSNTOR-CYBMUJFWSA-N 429.307 5.115 30 20 IKED C=CCn1c(S[C@@H](C)c2nc3ccccc3n2C(F)F)nnc1-c1ccc(Cl)cc1 648195505 MLIBIQQPLQHKBI-ZDUSSCGKSA-N 445.926 6.383 30 20 IKED O=C1CCc2cc(NCc3c(F)cccc3OC(F)(F)F)ccc2N1CC(F)(F)F 671192253 RHGOPFXEGDVSDM-UHFFFAOYSA-N 436.327 5.178 30 20 IKED O=C(NCCC1CCN(CC(F)(F)F)CC1)Nc1ccc(C(F)(F)C(F)(F)F)cc1 674022348 YMYODXVKAJLJEX-UHFFFAOYSA-N 447.370 5.127 30 20 IKED Fc1ccc(OCc2nc(CN3C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)cs2)cc1 674461691 BOFUXBWVMUFNNX-OKILXGFUSA-N 428.373 5.034 30 20 IKED N#C[C@@H](C(=O)c1cc2cc(Cl)sc2[nH]1)c1nc2cc(C(F)(F)F)ccc2s1 685783873 GJOVXAOOMYUBSR-VIFPVBQESA-N 425.844 6.001 30 20 IKED Cc1oc(-c2ccsc2)nc1CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 727038534 LCNPHOYQTNJCAY-CYBMUJFWSA-N 447.463 5.759 30 20 IKED C[C@H](Sc1nnc(Cc2ccccc2F)o1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 727690515 GKKYBPALBFYUNJ-JTMDUIFQSA-N 437.540 5.161 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)ccc21 729579008 UAXCELBFZTZPIN-UHFFFAOYSA-N 446.551 5.442 30 20 IKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(C3CCC3)C2=O)cc1 730459051 FRIJKXUVAWIBGZ-JOCHJYFZSA-N 449.576 5.019 30 20 IKED O=C1/C(=C\c2cccc(F)c2F)CN(Cc2ccccn2)C/C1=C\c1cccc(F)c1F 730728943 ATUOKSPIXXDJFK-VHVWWYSBSA-N 438.424 5.190 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H](C)Sc1ccc(Cl)cc1 731065901 OXMVLSCJHJVBMZ-GJZGRUSLSA-N 448.997 5.397 30 20 IKED C=C1CCN(C(=O)c2ccc(-n3nc(SCc4ccccc4)sc3=S)cc2)CC1 731197200 OVBSMUSNPISKQF-UHFFFAOYSA-N 439.631 5.748 30 20 IKED COc1cccc([C@@H](C#N)NC(=O)c2sc3cc(C(C)C)ccc3c2Cl)c1OC 732657647 QGVAQBZCKZADPZ-MRXNPFEDSA-N 428.941 5.690 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)OCC(=O)Nc2c(F)cccc2F)c1 735165532 KRGSYBKOJVPGBK-UHFFFAOYSA-N 442.805 5.078 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)CSc3nccn3-c3ccc(C(C)C)cc3)[nH]c12 735788597 FVRFNYWEVPIMAH-LJQANCHMSA-N 429.549 5.149 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)c1 739022569 JQBQAQFFEWBDGE-UNMCSNQZSA-N 445.485 5.823 30 20 IKED C[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccc(NC(=O)C2CC2)cc1 740060508 UMTKZSPKHZVGLE-INIZCTEOSA-N 444.560 5.196 30 20 IKED C#CCOc1ccc(C(=O)N(Cc2ccccc2)[C@H](C)c2cccc(NC(C)=O)c2)cc1 741528403 YEXPWZXHQKWTMC-HXUWFJFHSA-N 426.516 5.061 30 20 IKED Cc1ccc([C@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)N2CCCC2)cc1 747295545 UNCOMNCLNRDDJA-SXOMAYOGSA-N 438.575 5.609 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12 751251333 BTMXZVMTVHDGAX-UHFFFAOYSA-N 426.907 5.515 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc(Br)cc(C(F)(F)F)c1 756505390 RCCZAUBTSONZFU-OAHLLOKOSA-N 449.226 5.463 30 20 IKED CC(C)[C@@H](NC(=O)OC(C)(C)C)c1noc(-c2ccc(COc3ccccc3C#N)o2)n1 762027377 QQLQNLKCPTYVRG-LJQANCHMSA-N 438.484 5.002 30 20 IKED CC(C)n1c(SC[C@@H](O)c2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1Cl 763233406 SMKFGPZSXWUJGJ-GOSISDBHSA-N 433.364 5.530 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CNC2(c3nc(C)cs3)CCC2)c1=S 764110621 HBFOHFXCIIMAGV-UHFFFAOYSA-N 432.018 5.312 30 20 IKED N#C[C@@H](NC(=O)c1c(Cl)ccc(Cl)c1Cl)c1ccc(OCc2ccccc2)cc1 768139544 RGOOCRBHWGYYCU-LJQANCHMSA-N 445.733 6.220 30 20 IKED COc1ccc(-c2noc([C@H](C)Nc3ccc(OCc4cccc(C#N)c4)cc3)n2)cc1 768500507 RJEAZNVXWBKQTM-KRWDZBQOSA-N 426.476 5.369 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(Br)c(C(F)(F)F)c1 768763469 OHLWWEGMVAGKIP-JTQLQIEISA-N 445.622 5.082 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)OC[C@@H](C#N)Cc4cccs4)cc3)o2)cc1 772741506 CKUSESMJPHUMBY-QGZVFWFLSA-N 429.501 5.313 30 20 IKED CCc1ccccc1N(C(C)=O)c1nc(COC(=O)/C=C\c2ccccc2C#N)cs1 775086447 WDDZSXNZGDNNFA-SEYXRHQNSA-N 431.517 5.018 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 780681236 OLKBMTIVSNMFTO-FYYLOGMGSA-N 448.567 5.253 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)N(c3ccc(Nc4ccccc4)cc3)C(C)C)CC2)o1 788530933 FOGDYECUQXTNCN-UHFFFAOYSA-N 443.551 5.256 30 20 IKED C[C@H](/N=C\c1cc(Br)cc(Br)c1O)[C@@H]1OCCc2sccc21 793667177 IACIQYQIIQXJOI-LRRHMKTGSA-N 445.176 5.100 30 20 IKED C=CCOc1ccc(/C=C2/SC(=S)N(CCCCC(F)(F)F)C2=O)cc1OC 794862014 MOAMEZWFTWURBM-FOWTUZBSSA-N 431.501 5.194 30 20 IKED CCn1c(SCCO[C@@H](C)C#N)nnc1-c1cc(-c2ccccc2)nc2ccccc12 801653839 CGFSOWKGNZVDPL-KRWDZBQOSA-N 429.549 5.201 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2Cl)c1C#N 817879245 CZEYZZAKTUXKAH-VIFPVBQESA-N 440.878 5.111 30 20 IKED CC(C)(c1cc(F)cc(C#N)c1)c1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1 904490773 YLLFNHWOSUHQRG-UHFFFAOYSA-N 437.478 5.471 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1 915088001 YKQSKRKWBUGAEM-HHHXNRCGSA-N 446.506 5.591 30 20 IKED CCOc1cc(C=NN(c2ccccc2)c2ccccc2)ccc1O[C@H](C)C(=O)N(C)C 916250244 YDWFBJODOMZHOA-HXUWFJFHSA-N 431.536 5.113 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1Cl 916683686 DUQBOFHRYJSNIR-XMMPIXPASA-N 444.966 5.917 30 20 IKED CC(C)c1cccc(OCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 916910267 SGVWZFWIYBICEW-JOCHJYFZSA-N 428.488 5.329 30 20 IKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cccc(OCc2cccs2)c1 916946577 YUSRCZMCMDFWME-IBGZPJMESA-N 445.327 5.595 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)cc1 916951230 XYKNDXMMLKAQCC-FYSMJZIKSA-N 446.526 5.032 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc4c(c3)CCC(=O)N4)n2)cc1 916974197 GJWFEKTZMBIGTF-HXUWFJFHSA-N 445.544 5.039 30 20 IKED Cc1ccc(C(=O)CCC(=O)CCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)s1 917046796 PWNGIJGIEUSSPY-HNNXBMFYSA-N 444.965 5.508 30 20 IKED C=CCSc1nc2ccccc2n1CN1CCC(C(=O)c2cc(F)ccc2F)CC1 917461166 OAQWRVQXIACJPJ-UHFFFAOYSA-N 427.520 5.145 30 20 IKED COc1cc(C)ccc1C(=O)/C=C/c1csc(N(C(C)=O)c2ccc(Cl)cc2)n1 917558990 BWTREBGEYZAGSJ-YRNVUSSQSA-N 426.925 5.694 30 20 IKED Clc1ccc(CSc2nncn2N=Cc2csc(COc3ccccc3)n2)cc1 918711269 IQBDOQNQLYZHPP-UHFFFAOYSA-N 441.969 5.142 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(COc2ccc(Cl)cc2)cc1 920106533 REABINFAPDLJPX-QFIPXVFZSA-N 442.902 5.914 30 20 IKED C=CCNC(=S)/C(=C(/O)c1cnn(-c2ccccc2)c1C)[n+]1ccc(C(CC)CC)cc1 1345367349 LGBGKFCHFHIFJR-UHFFFAOYSA-O 447.628 5.359 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@H]3OCCc4ccccc43)cc2)CCC1 1786314332 PZTDEUQXYNPAMX-NTKDMRAZSA-N 432.564 5.037 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)/C(C)=C/c3cccs3)CCC2)cc1 1786365587 MEZRTRYWZRHBEA-VHEBQXMUSA-N 438.593 5.268 30 20 IKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3oc4ccccc4c3C)CCC2)cc1 1789491654 KMPQXNQTCMGLFG-QFIPXVFZSA-N 446.547 5.062 30 20 IKED N#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCCc1ccccc1 1804283250 JGIBWYZEEMUPBN-QEIWAGNOSA-N 437.628 5.292 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2cccc(C)c2)[C@@H]1c1cccnc1 1810493323 XPJLFXRIJLUKEA-AZGAKELHSA-N 447.623 5.021 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2C(C)(C)C)[nH]n1 1819304544 FCVNLLQXHMUMLS-GHTZIAJQSA-N 449.599 5.177 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cccnc3s2)[nH]n1 1819305338 IDBUUPACOHYSIK-PKOBYXMFSA-N 449.580 5.094 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C)c(F)c2F)[nH]n1 1819310912 DRJNUJZNBUGRKY-VQIMIIECSA-N 442.510 5.071 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccccc3)CC2)CC1 1824137376 HNSHIAJZGKYJGI-RUZDIDTESA-N 434.624 5.106 30 20 IKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)Oc2ccc3ccccc3c2)CC1 1830171940 GETZWKZFANHNFL-VWLOTQADSA-N 448.607 5.193 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)c(F)c1)=C(/S)Nc1ccc(F)c(Cl)c1 10759316 BFWQSKWXLOKKDF-UHFFFAOYSA-O 449.905 5.658 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(\S)Nc2ccc(Cl)cc2Cl)c1 10836712 KZLIGFZYLOCCIC-UHFFFAOYSA-O 447.411 5.596 30 20 IKED O/C(=N\c1nc(CN2CCOCC2)cs1)c1sc2cc(Cl)ccc2c1Cl 21128805 JJESXBXXKNAEEC-UHFFFAOYSA-N 428.366 5.133 30 20 IKED N#Cc1cccc(COc2cccc(NCC(=O)Nc3ccc(OC(F)(F)F)cc3)c2)c1 59801053 COGJZDJDBVIHGI-UHFFFAOYSA-N 441.409 5.086 30 20 IKED CN(C)CCOc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 64292992 OJUDMECPWSPOSS-UHFFFAOYSA-N 431.561 5.043 30 20 IKED C=CCc1cc(CNC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc(OC)c1OC 65389001 FKDQTMGPZJUEBG-IBGZPJMESA-N 437.565 5.089 30 20 IKED C=CCn1c(SCc2cc(=O)oc3cc(CC)c(Cl)cc23)nnc1-c1cccnc1 302701868 RWEWOGKDJDXKIO-UHFFFAOYSA-N 438.940 5.141 30 20 IKED Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 302926872 DJJCAVWYUOLLEN-UHFFFAOYSA-N 443.890 6.006 30 20 IKED C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1occc1COc1cccc(C#N)c1 303540180 UFSHJBKMQNCYRV-HNNXBMFYSA-N 428.410 5.110 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccnn1Cc1cccc2ccccc12 429752010 MPBUBEDVNWLBQE-DQEYMECFSA-N 435.531 5.388 30 20 IKED C=CCN(C(=O)c1cc2n(n1)CCCO2)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 432718227 OQTXMDWBPITGPC-UHFFFAOYSA-N 442.544 5.289 30 20 IKED N#CCCC[C@@H](NCC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 433020009 MGJPOZXDXOAAKV-RSXGOPAZSA-N 431.967 5.570 30 20 IKED Cc1ccn(C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)CC2)n1 433237860 BAMBCUUVRFNVRX-UHFFFAOYSA-N 435.915 5.378 30 20 IKED CC(C)(C)Oc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 438767852 BCEJPIJKSSQCMR-UHFFFAOYSA-N 429.476 5.105 30 20 IKED Cc1ccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccc(CC#N)cc2)c(Br)c1 439338737 GVTOYFHRJSUBIB-HXUWFJFHSA-N 442.357 5.037 30 20 IKED CC(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 441657222 QVBHDEOHKRFXLX-UHFFFAOYSA-N 445.494 5.210 30 20 IKED Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 443953461 USDJORKWPQAVTG-UHFFFAOYSA-N 432.455 5.457 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 444001250 HPXSSYBHTQUJRD-CQSZACIVSA-N 446.450 6.492 30 20 IKED Cc1sc(NC(=O)c2cn(CCCC#N)c3ccccc23)nc1-c1c[nH]c2ncccc12 444349489 DOZIAISOUHISOS-UHFFFAOYSA-N 440.532 5.506 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2csc(-c3ccc(C)cc3)n2)c1C#N 445559618 SAUSDQUVAASRDI-UHFFFAOYSA-N 431.546 5.150 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCC(=O)c3ccc(F)c(F)c3)cc2F)c1 445795564 VWEWBEUENZTCRX-UHFFFAOYSA-N 438.405 5.156 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)c2ccc(CN3CCCC3=O)cc2)c1 460326409 CQKLNRIQBIUUFV-UHFFFAOYSA-N 443.934 5.181 30 20 IKED C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 460554785 RUBZCHHRGTWBJK-QFIPXVFZSA-N 431.584 5.088 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 460791032 IPTJOWOSUQUEIN-HYBUGGRVSA-N 432.568 5.167 30 20 IKED C=C(C)Cn1c(N(CCC)Cc2nnc(-c3ccccc3Cl)o2)nnc1C(C)(C)C 460945093 UKVZJJHZYFGIIM-UHFFFAOYSA-N 428.968 5.272 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H](Cc1ccccc1C(F)(F)F)C(C)(C)C 461263947 NJDFIHMZQOZQFT-FQEVSTJZSA-N 447.501 5.001 30 20 IKED C=C(C)COc1cc([C@@H]2Nc3ccc(Cl)cc3C(=O)N2c2ccncc2)ccc1OC 463015035 WWNZMIARTDVSJK-HSZRJFAPSA-N 435.911 5.470 30 20 IKED C[C@H](Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)C(=O)Nc1ccccc1C#N 463403862 JFINPTSWLZGOCX-AWEZNQCLSA-N 436.874 5.042 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Nc2cccc(NC(=O)c3cccs3)c2)c1 467418589 NUXODZSJMQQIAX-LJQANCHMSA-N 446.576 5.365 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](C[C@H](C)O)c1ccccc1 469702614 RHLXOZIEBIWDBK-SIKLNZKXSA-N 429.520 5.335 30 20 IKED COc1cc(CN2C[C@H](C)O[C@@H](c3ccsc3)C2)ccc1OCc1cccc(C#N)c1 470196509 ZQZQIDSLPGXXOF-AVRWGWEMSA-N 434.561 5.169 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(F)cc3-c3nc(C4CC4)no3)cc2)nc1 471625565 MVDKURNGANDDLU-UHFFFAOYSA-N 441.422 5.064 30 20 IKED COc1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c(OCC2CC2)c1 472773144 NZFBSKAKSQAFFY-UHFFFAOYSA-N 429.476 5.104 30 20 IKED C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 473551007 MMAHUHOTHPRVMY-OKXSDPAFSA-N 432.545 5.116 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)nnc1-c1cccs1 481390082 CFOFBBXGIHSBBI-GFCCVEGCSA-N 438.500 5.331 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1c[nH]c2cc(Br)ccc12 481798320 UZJZLBIXSIZWQR-ZDUSSCGKSA-N 428.355 5.506 30 20 IKED O=C(Nc1ccc(OC(F)F)c2cccnc12)N1CCC(C(F)(F)F)(C(F)(F)F)C1 482096797 GZSLZGXRENKPFD-UHFFFAOYSA-N 443.294 5.185 30 20 IKED CC[C@@H](CC#N)NC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482350837 VYPFOIQLNONXJX-NWDGAFQWSA-N 435.290 5.319 30 20 IKED Cn1ncc(C(=O)N(c2ccc(Cl)c(Cl)c2)c2nc3ccccc3s2)c1C#N 483079925 WBVCLONLRJTFRP-UHFFFAOYSA-N 428.304 5.187 30 20 IKED N#C[C@@H](C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1nccc2ccccc12 483215016 ZZBKKQWKPMKGAZ-LJQANCHMSA-N 439.475 5.173 30 20 IKED N#C[C@H](C(=O)c1cc(Br)cc(Br)c1)c1nccc2ccccc12 483234050 KGPXHVKHWADCKX-INIZCTEOSA-N 430.099 5.250 30 20 IKED COC(=O)CCCOc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1 486486556 ILQLBFKZBOVZBA-UHFFFAOYSA-N 448.450 5.074 30 20 IKED C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc2ncsc2c1 486535698 RIRMFLROWFHJMT-KRWDZBQOSA-N 442.544 5.824 30 20 IKED C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)COc1cc(Cl)cc(C#N)c1 487420665 NAARMUTUUMEHBU-KRWDZBQOSA-N 447.922 5.062 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)cc1 489537203 MHDMHLBPBLIOKL-RBUKOAKNSA-N 432.549 5.292 30 20 IKED N#Cc1ccc(OC2CCC(NC(=O)Nc3cc(Cl)ccc3C(F)(F)F)CC2)nc1 489701112 HFLIUTYQWLLSGY-UHFFFAOYSA-N 438.837 5.137 30 20 IKED CN(CC1CCN(c2ccncc2)CC1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 499552036 BYOLLMYPMAKKHC-UHFFFAOYSA-N 441.535 5.126 30 20 IKED C=CCN(CC=C)C(=O)[C@@H](C)Sc1nnc(-c2cccnc2)n1-c1ccccc1C(C)C 501551124 MUAIFPJZJLAEKW-LJQANCHMSA-N 447.608 5.134 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1C(F)(F)F 505786717 FHWILXCRQUSVFU-UHFFFAOYSA-N 425.813 5.225 30 20 IKED CC[C@H](NC1CCC(C#N)(c2ccccc2)CC1)c1ccccc1OCC(=O)N1CCCC1 507654534 VGENKZUMDOIISY-RXFKJLCSSA-N 445.607 5.133 30 20 IKED Cc1oc(C2CC2)nc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 507658224 GHQSTQVENFACBJ-UHFFFAOYSA-N 432.427 5.051 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 507924323 XEKUOEYXJBRIHR-UHFFFAOYSA-N 428.448 5.111 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(n2ccc(C)n2)CC1 508463272 FOEODYGUFXIPQI-FQEVSTJZSA-N 442.567 5.104 30 20 IKED C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 510185133 KLXVTRVSJJKKIH-AWEZNQCLSA-N 429.461 5.432 30 20 IKED Cc1ccc(NC(=O)c2nnc(CSc3nc(-c4ccccc4)ccc3C#N)s2)cc1 510193174 WZTILOCTSZSSMY-UHFFFAOYSA-N 443.557 5.325 30 20 IKED CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1cn(CCC#N)nc1-c1ccccc1 510504399 YXWSKIUMWZWEHE-UHFFFAOYSA-N 442.542 5.058 30 20 IKED CC(=O)Nc1cc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1F 513934653 XKDAUPHUJAEAQA-UHFFFAOYSA-N 434.446 5.029 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccccc2C(F)(F)F)cc1 513958616 VAGDXOSHYLOHLW-UHFFFAOYSA-N 427.401 5.950 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2ccc3ccccc3n2)n(Cc2ccccc2)c1C 514839560 PHQCSQHCXBZXTN-UHFFFAOYSA-N 426.545 5.304 30 20 IKED Cc1cccc(CN(Cc2ccco2)C(=O)c2ccc(COc3ccccc3C#N)o2)c1 515647631 ODRZDKODKZQYBM-UHFFFAOYSA-N 426.472 5.474 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(NC(=O)c4ccco4)c3)n2)cc1 516270449 ZCNNBGWMOPUHIF-LJQANCHMSA-N 438.468 5.017 30 20 IKED Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 518361036 CLTBVYJUYLUOKT-UHFFFAOYSA-N 439.475 5.480 30 20 IKED Cc1c(C(=O)Nc2ccccc2SC[C@H](C)C#N)cnn1-c1cccc(C(F)(F)F)c1 518668599 GREFEIOBQRIABV-CQSZACIVSA-N 444.482 5.704 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccccc2Cl)on1)c1nc(-c2c(F)cccc2F)cs1 518870932 MVWKAJQUWPGEKM-LBPRGKRZSA-N 441.846 5.887 30 20 IKED CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c(C)c1 520592317 HSBXWFLASPZHAD-SFHVURJKSA-N 443.572 5.799 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 520924470 XPJICOHWKSDXJF-HNNXBMFYSA-N 442.009 5.963 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 520944153 VQJDYTAGZYVGFM-GFCCVEGCSA-N 427.879 5.804 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCc4c(Cl)cccc4C3)c2)cc1 523560604 XZWNFMIYACROBK-UHFFFAOYSA-N 431.923 5.575 30 20 IKED CCc1nc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cs1 523627237 NTYQLDIGBJEJAI-ZDUSSCGKSA-N 426.929 5.906 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1csc2ccccc12 524438058 LVOBOLWVYJSXIN-UHFFFAOYSA-N 441.556 6.324 30 20 IKED N#C[C@@H](NC(=O)c1cc(-c2ccccn2)ccc1Cl)c1ccc(OC(F)(F)F)cc1 533651984 OIMGTNPJGRJOLA-LJQANCHMSA-N 431.801 5.295 30 20 IKED Cc1nnc(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)n1[C@H]1CCC[C@H](C)C1 534606435 VMXOXTYTAPLRMD-JZXOWHBKSA-N 443.642 5.463 30 20 IKED CC[C@H](C)n1ncc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1C1CC1 536486082 OEWXHMHOUDPTPS-SFHVURJKSA-N 443.551 6.135 30 20 IKED COCCOc1ncccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 537665123 KOLVITJIVAHYNS-OAHLLOKOSA-N 448.331 5.027 30 20 IKED COc1ccccc1COC1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 537716035 MEBMBFDXFFTRCQ-UHFFFAOYSA-N 441.531 5.132 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H](c2cnn(C)c2)C(C)(C)C)cc1OCC 539526720 XIIOEQKUOFAGJY-FQEVSTJZSA-N 436.394 5.023 30 20 IKED CC(C)(C)OC(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 540021564 IGQYRNYVVGBLNX-LJQANCHMSA-N 429.501 5.127 30 20 IKED Cc1nc2c(c(C(F)(F)F)n1)C[C@H](c1nc(-c3cc(F)ccc3C(F)(F)F)no1)CC2 545569049 VPAUGHRLBYVJHC-SECBINFHSA-N 446.326 5.284 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1ncsc1C(F)(F)F 552803907 PENWKBQUEOEWJK-UHFFFAOYSA-N 436.299 5.472 30 20 IKED Cn1nccc1[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 558746485 GOZPBNWUFQDPTB-KRWDZBQOSA-N 435.915 5.149 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)c1 562198661 JDZRLMRUATVDSX-UHFFFAOYSA-N 447.579 5.077 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NCc3ccc(C#N)cc3C(F)(F)F)s2)cc1 576080094 NNFOENFUYQUDEH-ZDUSSCGKSA-N 431.483 5.868 30 20 IKED CC(C)(CC(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)C(F)(F)F 579304632 RETKQRSJZFYAQT-UHFFFAOYSA-N 441.290 5.486 30 20 IKED COc1ccccc1NC(=O)c1ccc(NCc2ccc(Br)cc2C#N)cc1 582570306 BQZYKFUYCWSKGM-UHFFFAOYSA-N 436.309 5.194 30 20 IKED CC1(C(=O)N[C@H]2CCSc3c(F)cccc32)CCN(c2ccc(Cl)cc2C#N)CC1 583556269 OKEICRQBMUGRNS-IBGZPJMESA-N 443.975 5.311 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc2nc(C(F)F)[nH]c2c1 592372186 QZMPXCRVUKPWSI-IUCAKERBSA-N 429.311 5.140 30 20 IKED N#C[C@@H](C(=O)c1nc(-c2ccccc2)n2c1CCCCC2)c1nc(-c2ccncc2)cs1 604005465 QVPQJORZQRIVEA-IBGZPJMESA-N 439.544 5.285 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c12 609020623 LCAXZPOVTWROFD-UHFFFAOYSA-N 426.476 5.306 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3ccccc3SCCC#N)c3c(C)noc3n2)c(C)o1 609375364 LWXDURVUJZIDPI-UHFFFAOYSA-N 432.505 5.666 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCCCOc1ccc(Br)cc1 609407562 XAWBWXMPNQEDJB-UHFFFAOYSA-N 429.358 5.307 30 20 IKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609426810 FUIXIGZFNRKSQQ-UHFFFAOYSA-N 433.533 5.957 30 20 IKED CCN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@H](C)Cc1ccc(OC)cc1 609433811 HDQADJXFBYRAAJ-GOSISDBHSA-N 430.508 5.239 30 20 IKED CSc1ncc(Cl)c(C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)n1 609526089 PMXXRTASIONSGN-UHFFFAOYSA-N 426.904 5.018 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Cl)c1SCC(F)F 609932683 AAVMBXSEINWEQH-UHFFFAOYSA-N 439.915 5.249 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccccc1OCc1ccncc1 610042097 BJVPMNUKJKZUPF-UHFFFAOYSA-N 435.483 5.885 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(OCC3CCCCC3)CC2)cc1 610244083 LAXGCAHUDNZHHR-UHFFFAOYSA-N 448.632 6.052 30 20 IKED Cc1nnc(SCc2c(C(=O)N[C@@H](C)c3cccc(C#N)c3)oc3ccccc23)s1 610366714 SEBQFYIMDWUUDD-ZDUSSCGKSA-N 434.546 5.248 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1 610630680 CTAOFSPLEOHQKR-IYBDPMFKSA-N 443.347 5.555 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)c(Cl)c1 611094896 DUZHGSUCIVPASP-UHFFFAOYSA-N 432.694 5.745 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)c(Cl)c1 611285019 UPOZFWKASRHNOD-UHFFFAOYSA-N 449.166 5.648 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3occc3CSc3ccccc3)n2)cc1 613318046 JYSFZQABBGSBRS-FQEVSTJZSA-N 430.554 6.494 30 20 IKED CCCCCc1ccc(NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 615059189 HJTOOOOSZDEEOR-UHFFFAOYSA-N 428.492 5.055 30 20 IKED O=C(c1ccc(COc2ccc(F)cc2)o1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618297178 DDXYKBJWDTYQNK-TXEJJXNPSA-N 439.327 5.201 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc(OC)c1Br 642281344 BOQFDLOXEDOGDN-CQSZACIVSA-N 443.322 5.080 30 20 IKED CC(C)(CNC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)c1ccc(F)cc1Cl 674432545 DHOOGYRKNNHFPR-VXGBXAGGSA-N 434.783 5.139 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674461249 NJUGHKKPEAKJFG-DTORHVGOSA-N 444.734 5.255 30 20 IKED N#C[C@H](C(=O)c1cnc(-c2ccncc2)s1)c1nc2cc(C(F)(F)F)ccc2s1 677791232 LBCLTVPJOFYWKX-GFCCVEGCSA-N 430.436 5.324 30 20 IKED N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCO[C@@H](c2ccccc2Br)C1 725789346 KUNSWOMPUYCQFQ-QGZVFWFLSA-N 446.707 5.239 30 20 IKED C[C@@H](C#N)Oc1ccc(/C=C2/CCn3c2nc2scc(-c4ccccc4)c2c3=O)cc1 728700943 YLJGBGLIOPCQFF-UEIJICEPSA-N 425.513 5.360 30 20 IKED CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 729035578 HORHCHAAJFFDPW-DEOSSOPVSA-N 428.492 5.693 30 20 IKED C[C@@H](OC(=O)c1cc2ccccc2n1CC#N)C(=O)Nc1ccccc1Oc1ccccc1 729769173 SVNZPEODADHRFU-GOSISDBHSA-N 439.471 5.141 30 20 IKED N#C[C@@H](NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccc(Cl)c1Cl 731195505 ITRPQQLGZHKCTE-OAHLLOKOSA-N 439.224 5.193 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 731399939 JEAHGRAMZDNFGP-SJORKVTESA-N 446.617 5.238 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cc2)cc1 732494767 LYNAWXAATOHSPD-RUZDIDTESA-N 445.478 5.659 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C(C)(C)Oc3cccc(Cl)c3)n2)cc1 733051852 AMGDJVRXMWVQHX-SFHVURJKSA-N 426.925 5.506 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2sc3cccc(C)c3c2Cl)ccc1OC 733229372 AWNMBYLPOPBTHR-OAHLLOKOSA-N 428.941 5.483 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(CC)[C@@H](C)c2cc3ccccc3o2)ccc1OC 733656389 KJRNCUJPTDWYBI-PXNSSMCTSA-N 435.524 5.415 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)c1 733773130 QQUGADIEKJQZNN-HSZRJFAPSA-N 448.950 5.459 30 20 IKED C=CC[C@H](NC(=O)c1ccc(COc2cccc(Br)c2)o1)c1ccncc1 734360859 NDQGDNUFDKBQAP-IBGZPJMESA-N 427.298 5.063 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1 739595421 IPFFZUPDSNAFTK-UHFFFAOYSA-N 439.496 5.260 30 20 IKED N#C[C@H](C(=O)CCCc1nc(C2CC2)no1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 740534068 CAKPRXFDHHNLLA-QQYMGJJXSA-N 436.581 5.070 30 20 IKED Cc1nc(/C=C\c2nccc3ccccc23)sc1C(=O)/C=C/c1nccc2ccccc12 740764986 MJRAOVFXCKBJLO-FAEGWCMCSA-N 433.536 6.614 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1nc2cc(Cl)ccc2s1 741430337 KEBPGRDMPAAUCQ-HZSPNIEDSA-N 436.842 5.828 30 20 IKED COc1cc(/C=C2\COC/C(=C\c3ccc(SC)c(OC)c3)C2=O)ccc1SC 741447762 OZDAFFCZKJANON-BEQMOXJMSA-N 428.575 5.214 30 20 IKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(N2CCOC2=O)ccc1F 741506201 VZSGSHCXINNONT-UHFFFAOYSA-N 436.283 5.072 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc4ccc(OC)cc4c3C)n2)cc1 744063024 WRCQURFUFLXNNS-SFHVURJKSA-N 434.542 5.841 30 20 IKED COc1ccccc1-c1nc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cs1 747022462 YZPXUKPGXBUNNO-OAHLLOKOSA-N 446.315 5.087 30 20 IKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC(OC3CCCCC3)CC2)c1=S 747797737 JBZSJNTWSJZNLP-UHFFFAOYSA-N 430.593 5.177 30 20 IKED CCOc1ccc([C@@H](NC(=O)Nc2cccc(OCC#N)c2)c2cccc(Cl)c2)cc1 752193761 ZZYJVBQFTHOBEX-HSZRJFAPSA-N 435.911 5.552 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H]3CCO[C@H](c4ccc(F)cc4)C3)c2)s1 754210112 QHFOVSARNFMBMW-IRLDBZIGSA-N 435.524 5.145 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CSc2nc(-c3ccccc3)no2)cc1 755047666 OCGUCWHDMJPRJB-OAQYLSRUSA-N 426.501 5.123 30 20 IKED N#C[C@@H](C(=O)CN1CCC[C@H]1c1ccccc1Br)c1nc2ccccc2s1 755997357 HFWZBEUJOBUKLW-YJBOKZPZSA-N 440.366 5.072 30 20 IKED C[C@H](CSc1ccc(F)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 756232306 SLEVLVMLRSVCES-ABAIWWIYSA-N 425.312 5.208 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1 760797826 ZAANHOIHUYYRNR-NRFANRHFSA-N 428.435 5.478 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cccc(-n2nc(C)c(CC)c2C)c1 766623136 OKGXYYUZOUVYSU-DEOSSOPVSA-N 442.563 5.138 30 20 IKED C#CCCCCc1nc(CC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)no1 771108031 QTTKATXSARTOEQ-UHFFFAOYSA-N 435.336 5.027 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CCc3ccc([N+](=O)[O-])cc3C2=O)cs1 773150116 MFOTWRFFHHQRBY-XNTDXEJSSA-N 437.452 5.088 30 20 IKED Clc1ccccc1-c1csc(CON=Cc2cccc(OCc3ccncc3)c2)n1 774747955 DWFCZKPGWFDYKS-UHFFFAOYSA-N 435.936 5.988 30 20 IKED C#CC[C@@H](NCc1csc(-c2cc(Br)ccc2OC)n1)c1ccccc1 775401000 OYMUSQAVNIKDIE-LJQANCHMSA-N 427.367 5.435 30 20 IKED CC(C)(C)OC(=O)N1CCc2cc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)ccc21 776880473 BBLDNGNELSHABI-KRWDZBQOSA-N 446.334 5.286 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1 781719441 GHRYRTNGVWDHAI-GFCCVEGCSA-N 444.274 5.013 30 20 IKED COc1ccccc1-c1ncc(/C=C\C(=O)c2c[nH]c3cc(Br)ccc23)cn1 792883819 MVNHSUYSVYIKRL-TWGQIWQCSA-N 434.293 5.292 30 20 IKED COc1ccc(NC(=O)[C@H](OC(=O)C[C@@H](CC#N)c2ccccc2)c2ccccc2)cc1 795981082 LHZRNHOXXASXOC-PXDATVDWSA-N 428.488 5.006 30 20 IKED CC(C)[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)C(=O)Nc1ccccc1C(F)(F)F 795981812 FHPYTHSKBDGDNO-UWJYYQICSA-N 432.442 5.299 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)s1 797570951 MDMZKDBGZFCAFR-HNNXBMFYSA-N 449.523 6.002 30 20 IKED COCCCn1c(NN=C(C)CC(C)(C)c2c[nH]c3ccccc23)nc2ccccc2c1=O 799475637 ZJNDUEZYGTWXRH-UHFFFAOYSA-N 445.567 5.070 30 20 IKED Cc1nc(SCC(=O)Nc2ccc(Cl)c(SC(=O)N(C)C)c2)c(C#N)c(C)c1C 805437203 IQSPJRNLAHABEB-UHFFFAOYSA-N 449.001 5.036 30 20 IKED COc1cc(C#N)ccc1OC(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C 822025548 ZQMBPMXDASVSHX-UHFFFAOYSA-N 432.505 5.149 30 20 IKED N#C[C@H](C(=O)NCc1ccccc1)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 916887622 QTQUWSIREWBEAF-QFIPXVFZSA-N 434.948 5.271 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)c1 916896542 KDNJEEKNTVAUFK-SFHVURJKSA-N 425.510 5.003 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 916906508 IGHCEXNQYUODGT-QFIPXVFZSA-N 427.548 5.523 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cccc(NC(=O)C2CCCCC2)c1 916908025 OVXKVCSLULFLSI-QHCPKHFHSA-N 445.563 5.291 30 20 IKED Cc1ccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916997580 WZYRKHHEUPWDSI-CXAGYDPISA-N 431.344 6.069 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)cc1 918035897 NEZMFCVOCOMUCF-AREMUKBSSA-N 437.543 5.777 30 20 IKED CS(=O)(=O)c1ccc(/C=C/C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)cc1 918155690 LYYLWVQMWHEMTJ-NYYWCZLTSA-N 436.476 5.734 30 20 IKED CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 918301134 DFINAVSDVKHFKE-FQEVSTJZSA-N 437.952 5.044 30 20 IKED C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 919443661 LPSNMNGPGFZFAJ-CQSZACIVSA-N 445.302 5.055 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2sccc2NC(=O)c2ccncc2)cc1 920456755 FWVBWKFXCFKMSK-OAQYLSRUSA-N 438.512 5.303 30 20 IKED N#C[C@@H](C(=O)CSc1ccc2ccccc2c1)c1nc(-c2c(F)cccc2F)cs1 920804768 YVPAVGGFKXMDDA-KRWDZBQOSA-N 436.508 6.210 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2cc(-c3cccs3)on2)cc1C 920891413 AJDYRJMHPXLZBB-UHFFFAOYSA-N 432.505 5.154 30 20 IKED C=C(Br)CNC(=O)c1ccccc1SCc1ccc(Br)cc1 921042481 GJDULAHZTOKDQI-UHFFFAOYSA-N 441.188 5.380 30 20 IKED CSc1nc(O)c(C(=O)N(Cc2sccc2C)c2ccc(F)c(Cl)c2)cc1C#N 1350646326 HRSXGMZWUOZMGC-UHFFFAOYSA-N 447.944 5.390 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)CSc3ccc(C)cc3)cc2)CCC1 1789107791 YLIBDVHOMAHXJH-UHFFFAOYSA-N 440.634 5.140 30 20 IKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCC[C@@H]5CCCC[C@@H]54)cc3)CCC2)c1 1789191995 RMKCJPSCEVEJQY-AJSBUHFISA-N 444.579 5.241 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cn(C)cc3C(F)(F)F)CCC2)cc1 1791247736 HPIBLOXWZVIPIP-OAHLLOKOSA-N 433.474 5.004 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc4ccccc24)C3)c1 1803679978 WKJACYLIOSFRFW-LZQXYRQZSA-N 437.543 5.032 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccoc3C(F)(F)F)CC2)C1 1804858628 MJCOZLYLWHRWDC-UHFFFAOYSA-N 440.506 5.136 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C(C)=C/c2ccc(C)o2)[C@H]1c1cccnc1 1810497588 FAPFUYBSIZPZCY-SSKBKNQGSA-N 449.595 5.085 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/Sc2ccc(C)cc2)n[nH]1 1819359403 ZUXNDUQBDCVGTL-CZSQVKIFSA-N 438.597 5.228 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)cc2OC)CC1 1828829110 DGICRMRWWWVIKD-VWNXMTODSA-N 438.612 5.005 30 20 IKED Cc1c(Cl)cccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1 1830011370 LEPIVOZMIGVRLX-XMMPIXPASA-N 449.982 5.067 30 20 IKED CC(C)=CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1830255248 PMYJIUUVWJNTOG-QFIPXVFZSA-N 442.003 5.191 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2cccc(Cl)c2)cc1 10831585 JEWSIEPYDIWGOM-UHFFFAOYSA-O 425.961 5.249 30 20 IKED Cc1ccc(-n2c(S[C@H](C)C(=O)NC3(C#N)CCCCC3)nnc2-c2ccccc2)cc1 11196673 UQRMFFHGMSASTB-LJQANCHMSA-N 445.592 5.066 30 20 IKED CC(C)(CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cccc(Cl)c1 60686075 PVVYKOBYEJVUQR-UHFFFAOYSA-N 447.922 5.036 30 20 IKED COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCCC(C)(C)C#N)cc1Cl 97599223 SHKDDBLDKBKBBI-ATVHPVEESA-N 445.997 5.827 30 20 IKED C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCC(=O)N(CCC#N)c1ccccc1 110942566 UDPSLJKJVBQZEP-MRXNPFEDSA-N 432.351 5.240 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN(Cc1ccccc1)Cc1ccccc1 112571323 PXSZINYNVAMSBI-NRFANRHFSA-N 429.589 5.579 30 20 IKED C[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccc(NC(=O)C2CC2)cc1 237599686 RDMYIRXVHQVHDJ-IBGZPJMESA-N 425.532 5.337 30 20 IKED N#Cc1cccc(-c2cc(C(=O)N3CCC(F)(c4ccccc4C(F)(F)F)CC3)on2)c1 410106006 IYMYJHPYPFWLGD-UHFFFAOYSA-N 443.400 5.333 30 20 IKED CC(C)(C)N1C[C@@H](c2nc([C@@H](F)c3ccc(C(F)(F)F)cc3)no2)[C@H](C(F)(F)F)C1 426576202 JGONJSHEYORVPX-MCIONIFRSA-N 439.375 5.524 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 427401118 YKRNJZWGFFMNES-QFIPXVFZSA-N 441.556 5.102 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc3c(c2)ncn3-c2ccccc2)c1-c1ccccc1 428497776 ITQRFIQMLBBQRF-UHFFFAOYSA-N 432.487 5.055 30 20 IKED CCN(C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[C@@H](C)Cc1ccsc1 429380227 UONMDYHNUFKTNO-KRWDZBQOSA-N 432.549 5.357 30 20 IKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c12 436335513 GOXCCPAYXUYPRV-TZIWHRDSSA-N 440.503 5.518 30 20 IKED Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 437462517 OAFOSVXNQALMTP-UHFFFAOYSA-N 434.515 5.530 30 20 IKED CC[C@](C)(NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nc(C)cs1 437739038 VTENLKAJAKYDEN-XXBNENTESA-N 438.984 6.207 30 20 IKED C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCN1Cc1ccccc1 438638755 SPCOLRQLBASSEZ-UZLBHIALSA-N 430.474 5.094 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3nc(C(C)C)n(-c4ccccc4F)n3)n2)cc1 442670406 FHHVVUDTBQQXJP-QGZVFWFLSA-N 445.523 5.452 30 20 IKED N#C[C@@H](NC(=O)CCC(=O)c1cc(Cl)sc1Cl)c1cccc(C(F)(F)F)c1 446049137 YLBHTIJPYAFGOP-GFCCVEGCSA-N 435.254 5.418 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)c2cc(O)nc3cc(F)ccc23)c1 460343606 PBWKTQOMIOYRQA-UHFFFAOYSA-N 431.854 5.452 30 20 IKED CCCNc1ccc(C#N)cc1NC(=O)c1ccc(OCc2cccnc2)c(OCC)c1 461666488 CALFSJXGGRKPQE-UHFFFAOYSA-N 430.508 5.005 30 20 IKED N#Cc1cc(N2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)nc2ccccc12 462880044 ABFOVVREAMWLBF-UHFFFAOYSA-N 425.319 5.268 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2c(C(C)C)nn(C)c2s1 463109230 XXDRBWLJGGYWJA-UHFFFAOYSA-N 431.521 5.378 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 463737059 CZOIXFQUXSSQBE-QGPMSJSTSA-N 444.398 5.769 30 20 IKED C[C@H](NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1cccc(OCc2ccccn2)c1 465665313 PPMRPSVMUGZIRQ-YMSRPXOMSA-N 440.547 5.203 30 20 IKED C=CCOc1ccccc1CNC(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 465899859 ZPISJJOZQJMGHI-UHFFFAOYSA-N 447.482 5.393 30 20 IKED CCC(CC)c1cc(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)on1 466121446 WHBGAZMRHVIRGW-UHFFFAOYSA-N 431.496 5.024 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccnc(Oc2cccc(C)c2C)c1 466529150 QSPVMWNKGFAIJQ-UHFFFAOYSA-N 431.536 5.397 30 20 IKED N#CCCCOc1cccnc1NC(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 466609643 IREURPLLRAIXEV-UHFFFAOYSA-N 430.430 5.104 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H](C[C@H](C)O)c2ccccc2)cc1 469705942 WPPWPSUPVGLWKM-RXVVDRJESA-N 445.519 5.035 30 20 IKED C[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(Cl)ccc1Cl 470541415 HXKJHVFVVQIKJB-CQSZACIVSA-N 445.350 5.459 30 20 IKED C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 473772968 AVUSDFIXLGPEEX-UHFFFAOYSA-N 448.654 5.106 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 475554250 HTKBINGBBDBGOR-OAQYLSRUSA-N 435.616 6.116 30 20 IKED C[C@@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@@H](c2ccco2)C1 480280203 CUHZHFWIBZGPJM-VGOFRKELSA-N 428.492 5.409 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 481106898 MAIYLTCBCJTHBY-LOSJGSFVSA-N 441.531 5.315 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(F)c(F)c3)n2)nnc1-c1cccc(OC)c1 481402514 MUGYLARONQXXHF-UHFFFAOYSA-N 440.475 5.365 30 20 IKED C=C(C)[C@@H](NCc1csc(CC(=O)Nc2cc(C)ccc2C)n1)c1ccc(F)c(F)c1 481579528 PPUZEEXOKYYAIK-XMMPIXPASA-N 441.547 5.626 30 20 IKED COc1cc(Cl)c(Cl)cc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 482213871 RMRKGYLVJLDSML-UHFFFAOYSA-N 438.286 5.088 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ncccc2OCC(F)F)cc1Cl 482810264 DVDXBOVKIWJYHA-KRWDZBQOSA-N 427.838 5.287 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1cnc2ccccc2n1 483211701 PKMMXTRYZVAXKF-KRWDZBQOSA-N 445.276 5.070 30 20 IKED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)c2ccccc2Oc2ccccc2)cc1 483618002 HDPNWKOINGOIRV-ZWKOTPCHSA-N 449.532 5.047 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cc1 485105672 MLNJMFDQBMXPKE-XGAFWQRZSA-N 445.906 5.005 30 20 IKED CN(C(=O)CCOCC(F)(F)C(F)F)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 485682041 YYTMTTPLVJCIPG-LBPRGKRZSA-N 443.281 5.074 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)o1 485820969 QZQNENVLOYKIAL-UHFFFAOYSA-N 430.410 5.928 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Sc1nc(C(F)(F)F)ccc1C#N 488731865 HHNYMZBTLQBOES-SNVBAGLBSA-N 429.851 5.062 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(-c3cccc(Cl)c3)on2)cc1 490649123 LXWYRCXIACAMOL-UHFFFAOYSA-N 443.890 5.892 30 20 IKED CCN(C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)[C@H](c1ccc(C)cc1)c1cccnc1 503087001 RHSIZEINYIFQGO-AREMUKBSSA-N 435.531 5.008 30 20 IKED N#Cc1c(NC(=O)CCc2ncc(-c3ccccc3Br)o2)sc2c1CCC2 506234327 PPTOLGVDRCBBFE-UHFFFAOYSA-N 442.338 5.097 30 20 IKED Cc1oc(C(C)C)nc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 507661321 TVZCVGYECXZLMF-UHFFFAOYSA-N 434.443 5.297 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 509294960 SIBMLFDZWJSEDC-AWEZNQCLSA-N 447.310 5.318 30 20 IKED CCN(C[C@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)CCC2 509713945 LFTQWHHXOSYJSG-SRMPHAGFSA-N 439.559 5.742 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2cccc(CN3CCCC3)c2)cc1 510673939 GEBBLRWYBPSMJL-UHFFFAOYSA-N 426.520 5.268 30 20 IKED CCN(CCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(C)c1 511319268 KDDCQKSCQGQYFK-UHFFFAOYSA-N 442.563 5.288 30 20 IKED Cc1nc(COc2ccccc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)no1 511565749 ULRBAKQFRLIOJW-UHFFFAOYSA-N 440.459 5.182 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1 513693963 LGCDSCZTHLRJEO-NRFANRHFSA-N 436.298 5.439 30 20 IKED C[C@H](OCCCNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1 515009678 IGLMLANCUGTEJX-FQEVSTJZSA-N 430.573 5.748 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)C(=O)C1(c2ccccc2)CC1 516754738 AALNRBPFALOOGA-LJQANCHMSA-N 433.577 5.133 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1 517455569 SGZVDTGGUXZQTH-HNNXBMFYSA-N 432.505 5.306 30 20 IKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccccc3SCCC#N)cc12 518122929 CDVQHUHKCHMWMK-UHFFFAOYSA-N 436.537 5.793 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCC1(c2ccccc2Cl)CCOCC1 519450686 JCBKLSUGEBCBTR-KRWDZBQOSA-N 444.000 5.462 30 20 IKED C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 521811073 REYLUQMGIOOVDP-GOSISDBHSA-N 438.491 5.156 30 20 IKED COc1cc(C)c([C@@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC 522073603 RXJVAFWOZDTZNP-QGZVFWFLSA-N 431.492 5.559 30 20 IKED COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)Nc1ccc(C#N)c(Cl)c1 523696307 MLPYYWWWSQKOFY-KRWDZBQOSA-N 434.721 5.352 30 20 IKED Cc1ccc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1Oc1ccncc1 523744577 BQUMQTROPRKSII-AREMUKBSSA-N 449.510 5.756 30 20 IKED O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)N[C@@H](CC(F)(F)F)c1ccccc1 524664628 VNQTYXAAFJXFGN-ZDUSSCGKSA-N 439.331 5.176 30 20 IKED N#C[C@H](NC(=O)CCC(=O)c1ccc2ccccc2c1)c1ccc(OC(F)(F)F)cc1 531114913 DPKDZNPDBZEWCT-FQEVSTJZSA-N 426.394 5.082 30 20 IKED C[C@@]1(c2ccccc2)CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CCO1 531598000 CHFVYOSXPDUHMX-SANMLTNESA-N 445.494 5.056 30 20 IKED C=CCOc1c(Br)cc(/C=C(\C)c2nc(O)c3ccsc3n2)cc1OCC 537652439 QDPVQNNMBOHIIE-FMIVXFBMSA-N 447.354 5.683 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 538345085 JKEUYRLJNURCGJ-NFBKMPQASA-N 436.483 5.248 30 20 IKED C=CCC[C@H](NC(=O)c1cccc(-c2nnc(COC)o2)c1)c1ccc(C(F)(F)F)cc1 539561391 KPOAUGOVPFESGJ-IBGZPJMESA-N 445.441 5.339 30 20 IKED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3ccc(-c4ccc(Br)s4)s3)nc12 542952597 ZXPHPOANRHIUGN-JTQLQIEISA-N 443.351 5.309 30 20 IKED COc1cc(C#N)ccc1OCCCc1nc(-c2cccc(-c3csc(C)n3)c2)no1 544734530 ZLTYMXICCFHVCA-UHFFFAOYSA-N 432.505 5.060 30 20 IKED CCCC[C@@H](C)N(CCCC)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 554630273 MSWXCLKJMBBLEH-GOSISDBHSA-N 426.561 5.230 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ccc(C2CCCCC2)cc1 560221363 QLEDLVZEXCMBDB-GOSISDBHSA-N 435.593 5.383 30 20 IKED N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 561281973 ZCXYMTKZSNEKJP-LLVKDONJSA-N 426.373 5.188 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1c1nc2ccccc2s1 573251420 LYWRCBSWBMFZHG-UZLBHIALSA-N 449.555 5.694 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3C[C@H](c4ccccc4)[C@@H]4CCCC[C@H]43)CC2)c(F)c1 579150291 MKZGXYHSPCMELQ-JBRSBNLGSA-N 431.555 5.099 30 20 IKED C[C@H]1Oc2cc(F)ccc2[C@H]1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 580111133 UWTUXEJFBIIYCJ-GYCJOSAFSA-N 431.467 5.114 30 20 IKED C[C@@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 585688822 OMPZAAPMPVPCKG-LLVKDONJSA-N 439.890 5.624 30 20 IKED CCOC(=O)c1sc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1C 600840480 LIGYVFZZJMRRHU-UHFFFAOYSA-N 436.558 5.650 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCc1nc(-c2cccs2)no1 603532379 DFNOBKKDYHVBPF-UHFFFAOYSA-N 446.507 5.283 30 20 IKED Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603765924 DHXOJYHQLUHGHW-GOSISDBHSA-N 429.829 5.970 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CSc2nc(-c3ccco3)nc3ccccc23)c1C 603908656 GHOVMAUUKPYONX-UHFFFAOYSA-N 442.544 5.546 30 20 IKED Cc1sc(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)c(C#N)c1C 603948039 YAQXBJYTSSTDHM-XUZZJYLKSA-N 443.572 5.355 30 20 IKED CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609209772 LMPSBBXTQOKGTL-UHFFFAOYSA-N 432.499 5.085 30 20 IKED COc1ccc(CCC2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)cc1 609438990 RHRFPKNBIVFPCV-IBGZPJMESA-N 437.609 5.966 30 20 IKED Cc1cc(N2CCSCC2)ccc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 609643643 UKOKWELTLBASDV-UHFFFAOYSA-N 443.572 5.251 30 20 IKED COc1ccc(Br)cc1[C@@H]1CCCN1c1nc(C(F)(F)F)ccc1C#N 609669997 IRCHNUDSTDQXKY-AWEZNQCLSA-N 426.236 5.085 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 609685564 XGJRQJINJLKLSF-YTTGMZPUSA-N 449.532 5.123 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(O)nc2ccc(F)cc12 609970905 QCVVXWKIOOOVRG-UHFFFAOYSA-N 435.402 5.356 30 20 IKED CN1CCC[C@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[C@@H]1c1cccs1 610321268 OCVJGSDFMQEWBE-WZONZLPQSA-N 447.564 5.012 30 20 IKED C[C@H](NC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1cccc(C#N)c1 610355316 NUXHZVYDDYDADG-FQEVSTJZSA-N 435.531 5.030 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H](CC1CC1)c1ccccc1 610382292 SLSANPZQTTYQJG-RUZDIDTESA-N 439.515 5.255 30 20 IKED C[C@H](NC(=O)N(C)[C@H]1CCSc2ccc(Br)cc21)c1cccc(C#N)c1 610408054 FTMUZIYMLBMTHY-UGSOOPFHSA-N 430.371 5.260 30 20 IKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)[C@H](C#N)c3ccc4ccccc4n3)o2)cc1 613292624 PDXVUQPPRNMOOC-HSZRJFAPSA-N 429.479 6.355 30 20 IKED N#Cc1cc(NC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)ccc1OC(F)(F)F 619666806 OBWUHCBNKBJENF-CYBMUJFWSA-N 430.386 5.010 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccccc4OC)n3)n2)cc1 622255333 JVQLSVCGGTWFRM-QGZVFWFLSA-N 447.541 5.441 30 20 IKED C=CCSc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)CN(C)C(=O)N3)cs1 684539494 QKXNUBDOPRHGHO-UHFFFAOYSA-N 436.562 5.318 30 20 IKED C#CCOc1ccc(/C=C2/SC(=S)N([C@@H](C)c3cccs3)C2=O)cc1OCC 726629994 RHISYQNRAPLLAB-ITRAFESCSA-N 429.588 5.121 30 20 IKED CC(C)COc1ccc(C(C)(C)C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1 730922227 ONWMRTMGCZMLTM-GOSISDBHSA-N 425.479 5.620 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccccc3Cl)o2)cc1 730937478 TZXJSKHFLWYGBW-HNNXBMFYSA-N 426.929 5.126 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)/C=C\c1ccc(Cl)cc1 730996974 DZYLJEQREDVUAQ-FLIBITNWSA-N 446.903 5.777 30 20 IKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cnn1-c1ccccc1Cl 732708961 WBQXOSXVQHDSRF-HNNXBMFYSA-N 447.709 5.102 30 20 IKED N#C[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)cc1F)c1ccc(Br)cc1 733253043 FCNLHRCGAYJMHA-FQEVSTJZSA-N 427.248 5.389 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc(C)c1OCc1cccnc1 733680188 LUTSJLZKNAKUBB-QFIPXVFZSA-N 437.499 5.273 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)c1 733771995 VGKCXASPWVSZCS-XSBVVTFOSA-N 440.543 5.366 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC(Oc3ccc(C(C)C)cc3)CC2)c1 733805921 ZJBPFSUEWOZKJY-JOCHJYFZSA-N 435.568 5.244 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)c1 733845222 QAHHAZIRVKWUCC-HXUWFJFHSA-N 444.466 5.637 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCCSc2nccs2)cc1 733973522 NPCPPZSUZWZXPH-UHFFFAOYSA-N 425.604 5.219 30 20 IKED N#CCOc1ccccc1C(=O)Nc1ccc(OCc2ccccc2)c(Br)c1 737729462 XSRAINTXWSGNIM-UHFFFAOYSA-N 437.293 5.183 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccc(N4CCSCC4)cc3)c2)s1 743186580 JPTCTFVXLJCXIE-UHFFFAOYSA-N 434.590 5.162 30 20 IKED Cc1cc(COc2ccc(/C=C/C(=O)c3ccc(-c4ccncc4)cc3)cc2)oc1C(=O)O 745990132 LAWYLLJFAAVMJE-NYYWCZLTSA-N 439.467 5.823 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)c1ccccc1 746172156 DYBPDONMSCGENM-OALUTQOASA-N 447.457 5.042 30 20 IKED COc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 746763383 IIDXCQPCIUIXLE-RPBOFIJWSA-N 425.532 5.590 30 20 IKED COc1ccc(/C=C2/SC(=S)N([C@@H]3CCCC[C@H]3C)C2=O)cc1OCCCC#N 747473139 UBRNKPDMWYRLCG-GFULMQHTSA-N 430.595 5.158 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cc1 747533494 KUAHCWPGZRRROG-NBGIEHNGSA-N 444.604 5.437 30 20 IKED C[C@@H](OC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)C(=O)N(CCC#N)c1ccccc1 751710261 JJXBOUSTJUYRFB-UIHBLGAPSA-N 448.485 5.014 30 20 IKED COc1cccc(/C(C)=C\C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 751825463 AEXKDLNTTUMXJY-JVCJXORTSA-N 426.472 5.238 30 20 IKED C[C@@H](CSc1ccc(F)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 756232315 SLEVLVMLRSVCES-XHDPSFHLSA-N 425.312 5.208 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@H]2c2ccc(C(C)C)cc2)ccc1OC 759434504 BIOIXMPXQHQRIX-XZOQPEGZSA-N 435.568 5.546 30 20 IKED COc1ccc(OC)c(CCCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 759618635 LSWBTCVUOIFWJN-XMMPIXPASA-N 429.520 5.114 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 760802092 XSCJMXSOFRDKRB-UHFFFAOYSA-N 430.357 5.791 30 20 IKED COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)Nc1ccc(F)cc1OCC#N 761665429 QXTYJPBNPIIRJQ-IBGZPJMESA-N 447.510 5.402 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)c3csc(-c4ccc(Cl)cc4Cl)n3)CCO2)c1 762303260 NCKBKTNUPCJFJO-IBGZPJMESA-N 444.343 5.202 30 20 IKED CC(=NNc1c(Cl)cccc1Cl)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 763180139 PKMGPLVZCSMLBT-UHFFFAOYSA-N 425.259 5.166 30 20 IKED CCc1cc(Br)ccc1NC(=O)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1 764230128 NUAHJHIEDKPAQL-QGZVFWFLSA-N 446.345 5.023 30 20 IKED CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cn(CCCC#N)c2ccccc12 769545905 DIIHZJAGBIWRMA-OALUTQOASA-N 431.536 5.643 30 20 IKED C[C@H](OC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccc(C#N)cc1 769698669 MWWJRUYFERQQGI-INIZCTEOSA-N 436.537 5.311 30 20 IKED O=[N+]([O-])c1cc(Cl)cc(C=Nc2cccc(Oc3ncc(Br)cn3)c2)c1O 769773753 JSPNCXNEFYJGND-UHFFFAOYSA-N 449.648 5.049 30 20 IKED N#Cc1cc(/C=C2/CC3(CCOCC3)C/C(=C/c3ccc(F)c(C#N)c3)C2=O)ccc1F 770571462 DYDICQHINZXZOF-QJUDHZBZSA-N 430.454 5.335 30 20 IKED C=CC[C@H](C(=O)OCc1csc(N(C(C)=O)c2cccc(Cl)c2)n1)c1ccccc1 778418789 NVAACVQJPVQFGN-NRFANRHFSA-N 440.952 5.884 30 20 IKED CCCOc1ccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1Cl 783236754 HSMOJMSZTHORGI-OAQYLSRUSA-N 447.922 5.361 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(Cl)cc1Cl 787052604 NIHJNXFYVAMJIK-UUIJZJDISA-N 435.273 5.248 30 20 IKED C[C@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 796042024 DBXHKKWDZPPUBN-LBPRGKRZSA-N 438.833 5.344 30 20 IKED Cc1c(C(=O)Oc2ccc(-c3noc([C@@H]4CCCO4)n3)cc2)sc2ccc(C#N)cc12 796841684 ICSVSYHPEUWLBD-SFHVURJKSA-N 431.473 5.202 30 20 IKED C=CC[C@H](OC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1)c1ccc(Cl)c(Cl)c1 797553821 ZUFCCWDFLHTBMF-PXNSSMCTSA-N 433.335 5.101 30 20 IKED C[C@@H](CC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)C1CCN(C(=O)OC(C)(C)C)CC1 797568043 OBVCJSRWBACLOK-DOTOQJQBSA-N 433.618 5.290 30 20 IKED N#CCn1c(C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)cc2ccccc21 797576562 WRWYFIYKVOUQSR-IBGZPJMESA-N 426.289 5.044 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)sc2cc(F)ccc12 805844017 BMRAETWXWNMVOQ-CQSZACIVSA-N 437.521 5.428 30 20 IKED N#C[C@H](C(=O)C1CCN(Cc2ccccc2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 805859134 YXJVPZRIMZTPII-GOSISDBHSA-N 443.494 5.404 30 20 IKED O=[N+]([O-])c1c(Cl)cc(Cl)cc1C=Nn1cnnc1SCc1ccc(Cl)cc1 811636100 ZAWMOAPSLFXRKI-UHFFFAOYSA-N 442.715 5.321 30 20 IKED CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N[C@@H](CCCC#N)c2ccccc2)CC12CCC2 814349582 VRPAZTPVQLUTAR-SFTDATJTSA-N 440.588 5.043 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)c1 827006878 WLSZCKNQLJLTFH-OAHLLOKOSA-N 440.550 5.249 30 20 IKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1F 838547590 PEJHXYDIVWQLGL-GOSISDBHSA-N 449.910 5.073 30 20 IKED C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 916057099 KUAORTQFMHYBEN-QHCPKHFHSA-N 441.918 5.451 30 20 IKED Cc1sc2ncn(N=Cc3c(F)c(F)c(F)c(F)c3F)c(=O)c2c1-c1ccccc1 916283523 FQLGCVXKPFKZNH-UHFFFAOYSA-N 435.377 5.011 30 20 IKED CC(C)c1nnc(S)n1N=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 916313004 YUFJZVVNOTYGOG-UHFFFAOYSA-N 428.521 5.171 30 20 IKED N#C[C@H](C(=O)COc1cccc2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1 916909914 RJMSHGOJPCEJGT-JOCHJYFZSA-N 436.467 5.358 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ccccc2Br)cc1 916950685 VTVZEJPWCOZWFX-KXBFYZLASA-N 427.342 5.243 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CCC(Oc3ccc(C(C)C)cc3)CC2)c1=S 917468282 RPQPXMRECYNDIO-UHFFFAOYSA-N 449.624 5.286 30 20 IKED CCc1ccc(CN(C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C2CC2)cc1 918412938 OCVNQSAUBOEVNZ-AREMUKBSSA-N 437.543 5.034 30 20 IKED N#C[C@H](C(=O)CSCc1ccc(Cl)cc1Cl)c1nc(-c2ccncc2)cs1 920268189 MRLMVBHMOQHXQU-OAHLLOKOSA-N 434.373 5.622 30 20 IKED O=C1c2cccc3cccc(c23)C(=O)N1c1ccc(N=Cc2cc([N+](=O)[O-])ccc2O)cc1 920942537 FLFMXQMUWCTLCE-UHFFFAOYSA-N 437.411 5.005 30 20 IKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccs4)CCC3)cc2)cc1 1785795929 IXEBCYSVDXYXAU-UHFFFAOYSA-N 429.545 5.000 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2)CCC1 1788242709 AJVGICIVMRFAOO-UHFFFAOYSA-N 447.604 5.154 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c(C4CC4)c3F)CCC2)cc1 1789624233 NWKSYGKZSUZVGI-UHFFFAOYSA-N 438.547 5.166 30 20 IKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)CCC4CCCC4)CCC3)cc2)c1 1790072588 HJMJZYAFXLYRPE-UHFFFAOYSA-N 445.563 5.285 30 20 IKED Cc1occc1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790763862 CDVNXGAKQJHRLG-UHFFFAOYSA-N 433.895 5.175 30 20 IKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cccc(F)c3s1)C2 1793052522 QQDTYTDGSPHCAT-REPLKXPHSA-N 426.557 5.061 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cccs2)[nH]n1 1819554308 QTQGJYXCLDIAQQ-GNISGLHKSA-N 426.586 5.169 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C3CC3)cc2)n[nH]1 1821300577 HVIOYQYVRPQIRX-QHCPKHFHSA-N 432.568 5.361 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ccoc23)n[nH]1 1821532796 NWVBWAZBCVVSQK-NRFANRHFSA-N 432.524 5.230 30 20 IKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc3ccccc3c2)CC1 1826400565 PVDJULCROODQMF-HHHXNRCGSA-N 444.619 5.196 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cccc(F)c2F)CC1 1829069955 CVEAWDZLGRQLLN-JOCHJYFZSA-N 446.582 5.119 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)cccc2Cl)CC1 1832030062 FFTFLTNVDYCREH-QFIPXVFZSA-N 429.004 5.075 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CC3CCCC3)CC2)c1 1832633709 DMEOKPZXCUIDCF-CJFMBICVSA-N 435.612 5.127 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3CC4(CCC4)C3)CC2)c1 1832635950 ZUQHZRVJPNHTIY-CJFMBICVSA-N 447.623 5.127 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cc3c(ccc4ncccc43)s1)C2 1844356747 KLOKILMHVZIOBB-UHFFFAOYSA-N 447.604 5.259 30 20 IKED C=C(C)CN(CC)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 10143088 GRIVVAUEWQOPHL-UHFFFAOYSA-N 441.000 5.164 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cccc(Cl)c1)=C(/S)Nc1ccc(C(C)C)cc1 11262746 AWRKDYVFEZVNGO-UHFFFAOYSA-O 438.016 6.364 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2cccc(C)c2)c1 14872255 MMWWGNSZUBWANV-UHFFFAOYSA-O 431.625 6.193 30 20 IKED C[C@H](NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1ccc(C#N)cc1 31432524 YVWDCTKBECZAAH-AWEZNQCLSA-N 438.314 5.608 30 20 IKED Cc1cc(-c2cc(C(=O)N(C)Cc3ccc(C#N)cc3)c3cnn(C(C)C)c3n2)c(C)s1 32617798 NLCAHLJORKSBCB-UHFFFAOYSA-N 443.576 5.501 30 20 IKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCN(Cc2ccc(F)cc2)CC1 58470489 GZOHZUPSGOETCY-UHFFFAOYSA-N 448.382 5.211 30 20 IKED C[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccc(NC(=O)NC2CC2)cc1 237599719 PLNHDCNCNKZHBH-IBGZPJMESA-N 440.547 5.272 30 20 IKED C=CCOc1ccc(CN[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)cc1 237894565 HZTZZQKZWZHXBL-SANMLTNESA-N 435.589 5.151 30 20 IKED CC(C)(c1ccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1)C(F)(F)F 429237880 XYUZBYOJTUECOG-UHFFFAOYSA-N 431.458 5.192 30 20 IKED C[C@@H](NC(=O)c1cccc(SCC#N)c1)c1cccc(NC(=O)Cc2ccccc2F)c1 429952449 SOAKXTFFWDHKSX-QGZVFWFLSA-N 447.535 5.114 30 20 IKED N#CCC[C@H](NC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)c1ccccc1 430885665 NQWFKNDFUZZRKX-ZWOKBUDYSA-N 430.321 5.178 30 20 IKED Cc1ccccc1-c1ccc(CN(C(=O)C(=O)Nc2ccc(C#N)cc2F)C(C)C)s1 433502390 KJXYCCJCZPKSDH-UHFFFAOYSA-N 435.524 5.110 30 20 IKED N#Cc1ccccc1N1CCCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CC1 438366461 WKIIFKVYGOVDPC-UHFFFAOYSA-N 447.926 5.143 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cccc(-c3ccccn3)c2)cc1 439295808 LRJJGWNPTOZSIC-UHFFFAOYSA-N 448.526 5.715 30 20 IKED CC(C)[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccc(C(F)(F)F)cc1 439649902 DDSPOSNZTACNFY-JOCHJYFZSA-N 431.458 5.199 30 20 IKED N#CCC[C@@H](NC(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1 440256224 ZPYKBOMPVNTMOA-LJQANCHMSA-N 444.482 5.673 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccc(-n2cccn2)cc1 440608131 FECCYQFOEQUXPJ-QGZVFWFLSA-N 426.451 5.166 30 20 IKED COc1ccccc1-c1ccc(CN(Cc2nnc(-c3ccc(C#N)cc3)o2)C(C)C)cc1 441477605 MNGWLEWMMUYDBZ-UHFFFAOYSA-N 438.531 5.694 30 20 IKED CC(C)CN(CC(C)(C)C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 441649970 SVLXXNPNPQRWNL-UHFFFAOYSA-N 443.535 5.180 30 20 IKED N#C[C@@H](C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc2cc(Cl)ccc2s1 442674227 XNCQZHXUBKWVPT-NSHDSACASA-N 425.775 5.367 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446636030 DRMHDOZMYYKGBP-APMMTJHUSA-N 446.473 5.065 30 20 IKED C[C@@H](NC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1)c1ccc(-c2cccc(C#N)c2)cc1 460886722 WWRNXINGFLBNLR-HVETUWLQSA-N 429.486 6.049 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)c1cc(C(F)(F)F)ccn1 464430403 YZMZTVFCISDISB-AWEZNQCLSA-N 438.377 5.920 30 20 IKED CCN(Cc1cccc(-c2ccncc2)c1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 465578745 PXDFKKLQSFVJIX-UHFFFAOYSA-N 437.465 5.351 30 20 IKED C=C(C)CN1CCC(NC(=O)N[C@H](c2cc(F)ccc2F)c2ccccc2Cl)CC1 465855965 BUJDBAJHZMGGLU-QFIPXVFZSA-N 433.930 5.047 30 20 IKED CC(C)(NC(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F)c1nc(C(F)(F)F)cs1 466004296 JPVQKQZJLJILDQ-LLVKDONJSA-N 429.361 5.139 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)c1 469157351 ZXMLDNVWJOWTAE-UHFFFAOYSA-N 434.442 5.328 30 20 IKED COc1cccc([C@@H](NCc2nnc(-c3cccc(C#N)c3)o2)c2ccccc2Cl)c1 471684103 CNYCAEFFWLNRDE-HSZRJFAPSA-N 430.895 5.149 30 20 IKED C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CCC(Oc2ccc(C#N)cc2)CC1 472658838 HLCQZVKATANIMA-CQSZACIVSA-N 443.334 5.519 30 20 IKED COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)C[C@@H](CC#N)c2ccccc2)CCC3)cc1 475788331 BRLYAPZHRRZQHK-CTNGQTDRSA-N 431.561 5.400 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(SC)c(OC)c1 481398902 HBLRAELLHWNYGP-UHFFFAOYSA-N 427.595 5.374 30 20 IKED C[C@@H](NC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1nc2ccccc2n1C(F)F 482396672 BMRBCDRADRZGEZ-PSLIRLAXSA-N 448.342 5.373 30 20 IKED N#Cc1ccc(C(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)s1 486663276 CFJZFZJPYKODIZ-UHFFFAOYSA-N 427.363 5.323 30 20 IKED CCOc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 487354077 OTJWFKPQAOINRN-UHFFFAOYSA-N 431.439 5.275 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 487718303 SWSHKSIFKVPKKU-CQSZACIVSA-N 449.561 5.343 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cn4nc(C)cc4C)cc3)n2)cc1 488322292 FVCLORCLXGABJM-QFIPXVFZSA-N 426.545 5.470 30 20 IKED CCc1ncsc1NC(=O)c1sc(-c2ccc(OCC(C)C)c(C#N)c2)nc1C 489422761 NFZNJAHFAMGWNS-UHFFFAOYSA-N 426.567 5.296 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(F)cc3C(F)(F)F)c2)c1 494426724 CFXNLWGLJSJRGT-UHFFFAOYSA-N 427.357 5.221 30 20 IKED CCN(C(=O)CCCCOc1cccc(C#N)c1)[C@H](c1cccnc1)c1ccc(F)c(F)c1 496566172 BKKRGUTURYWPGA-SANMLTNESA-N 449.501 5.419 30 20 IKED CC[C@H](OC1CCCC1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 497783439 DRBCRJMBHAPNOS-SFHVURJKSA-N 437.487 5.301 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 499637070 QBTQPWFVGZRFCH-INIZCTEOSA-N 440.330 5.256 30 20 IKED CC(C)c1ccc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C(C)C)c1 502664964 DTDCWPOFPRTLJY-UHFFFAOYSA-N 432.568 5.688 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1nc(-c2ccccc2F)cs1 503549673 AXXQYUWXJIUSMP-UHFFFAOYSA-N 427.549 5.015 30 20 IKED N#Cc1ccc(C(=O)CSc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)cc1 503801923 BYSNMIAGNSKQIG-UHFFFAOYSA-N 444.947 5.493 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 505045720 KXXLFVIKIPZXIC-FQEVSTJZSA-N 433.321 5.312 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Br)cc1)c1nc(-c2c(F)cccc2F)cs1 505752248 ZLFIDJBJXICMKL-GFCCVEGCSA-N 434.265 5.097 30 20 IKED N#C[C@H](NC(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1ccc(Cl)c(Cl)c1 505937829 HUSZDUVJLZMMLL-SFHVURJKSA-N 434.323 5.103 30 20 IKED N#C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1ccc(Cl)c(Cl)c1 505946837 CGFRDBOZQCTDGK-MRXNPFEDSA-N 439.224 5.193 30 20 IKED N#C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)c(Cl)c1 505971401 OXIFMCFRTKBVPC-KRWDZBQOSA-N 434.710 5.615 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCCCN2CCCC[C@@H]2C)cc1 508244811 BAQHPGBGUOJCQW-IBGZPJMESA-N 436.556 5.135 30 20 IKED CC[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(OC)cc1 511323988 PJFCILQRGRJSPU-DEOSSOPVSA-N 429.520 5.613 30 20 IKED C=CCN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cs1 514650103 ORWMVNPESPPPCG-OAHLLOKOSA-N 425.535 5.418 30 20 IKED Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1NC(=O)c1ccccc1F 515098268 AOUMITVIZWQBJV-CQSZACIVSA-N 447.535 5.697 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(CN4CCCCCC4)cc3)cc2)nc1 517669070 SURHMPZSUMVYCQ-UHFFFAOYSA-N 426.520 5.374 30 20 IKED C[C@@H](Oc1ccc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cn1)c1ccccc1 518320623 RKQHESGSFIHNLS-QRWLVFNGSA-N 425.410 5.235 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2cccc(NC(=O)C3CCC3)c2)cc1 518538206 ZLDZMKUXLKGEIP-UHFFFAOYSA-N 443.478 5.158 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCC3(Sc4ccccc4)CC3)c2)cc1 518839102 FVNSHSQXSCLXGV-UHFFFAOYSA-N 443.572 5.778 30 20 IKED CCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@@H]1CCOC(C)(C)C1 520661934 KRMBVWZQJHYRPG-CTNGQTDRSA-N 425.960 5.807 30 20 IKED COc1cc(CNC(=O)Nc2ccc(F)c(C(F)(F)F)c2)ccc1OCC(F)(F)F 520827757 AGIJMXUXARFVEO-UHFFFAOYSA-N 440.315 5.116 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1COCc1ccccc1 520937747 HYKAIZDDEMSDRZ-HXUWFJFHSA-N 445.588 6.119 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(Oc2cccc(F)c2)nc1 521454979 ANEMAMTUULKYPF-UHFFFAOYSA-N 431.920 5.626 30 20 IKED COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 521810800 FHNIQMSFEFVPLN-XMMPIXPASA-N 443.503 5.737 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 522637599 FMPGMVRFODJMER-INIZCTEOSA-N 447.947 6.508 30 20 IKED O=C(N1CCC(C(F)(F)F)(C(F)(F)F)C1)C1(c2cccc(C(F)(F)F)c2)CCCC1 522686285 SHOGRHPLVHVGLJ-UHFFFAOYSA-N 447.341 5.861 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)NC[C@@H]3CCCO[C@H]3c3ccccc3)c2)c1 523727183 GSHMPWYXIMSRHI-AHWVRZQESA-N 426.516 5.035 30 20 IKED C=CCOc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2-c2ccc(Cl)cc2)c1 524807399 LRFLPJYBGXBRCS-KRWDZBQOSA-N 434.923 5.388 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c2)cc1 524932466 ZQYBYKIRTLNYBC-LJQANCHMSA-N 427.414 5.537 30 20 IKED C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c2ccccc2N(C)C1=O 525532744 CMLJZPAEWDOXMI-MRXNPFEDSA-N 445.906 5.263 30 20 IKED N#C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(OC(F)(F)F)cc1 530876868 QHAMYXYHTNXNKX-QGZVFWFLSA-N 449.816 5.207 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(-c2ccccc2)c(C)nc1O 531411219 FAFIDGWMTQZZIB-UHFFFAOYSA-N 449.510 5.774 30 20 IKED COc1cc(CN[C@@H](C)c2cccc(N3CCCC3)c2)ccc1OCc1cccc(C#N)c1 538277462 PNAYGRCLMIIHPM-NRFANRHFSA-N 441.575 5.597 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1cccc(F)c1)C1CCCC1 540430740 RETDZJSDIOOQMX-OSPHWJPCSA-N 425.573 5.537 30 20 IKED C[C@H](NC(=O)Nc1cc(C(F)(F)F)cnc1O)c1ccc(-c2cccc(C#N)c2)cc1 541089089 IHGCEKRFMKLLFP-ZDUSSCGKSA-N 426.398 5.227 30 20 IKED C[C@@H](NC(=O)Nc1cc2c(cc1F)CCC(=O)N2)c1ccc(-c2cccc(C#N)c2)cc1 542922822 LTPJEANQAPFRHD-OAHLLOKOSA-N 428.467 5.132 30 20 IKED C[C@H](NCc1nc(COc2ccc(F)cc2)no1)c1ccc(-c2cccc(C#N)c2)cc1 542945693 XSEGWUDGXXIJNJ-KRWDZBQOSA-N 428.467 5.177 30 20 IKED CC(=O)N1CCc2c(sc3nc(-c4cccc(C)c4)c(C#N)c(-c4ccc(C)cc4)c23)C1 543445360 JBCYPEHPSSMFIS-UHFFFAOYSA-N 437.568 6.023 30 20 IKED O=C(c1csc(C(F)(F)F)n1)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 545986843 GAOYSEHGTYILGL-UHFFFAOYSA-N 426.357 5.282 30 20 IKED Cc1ccc(-c2nc(Cc3noc(-c4cnc(C(F)(F)F)c(C#N)c4)n3)cs2)cc1 551337814 GYFDXPSVNRCZMO-UHFFFAOYSA-N 427.411 5.045 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2nc3c(s2)CSCC3)cc1Cl 553302533 MFEYETKRBXFSFQ-UHFFFAOYSA-N 427.938 5.502 30 20 IKED CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1S[C@H](C)CC#N 553320118 QMZJOWCCYKKKEH-OAHLLOKOSA-N 436.408 6.830 30 20 IKED N#Cc1ccc(C[C@@H](C#N)c2nc(-c3ncoc3-c3cccc(C(F)(F)F)c3)no2)cc1 564284720 WCBUQUIDJGSSLA-INIZCTEOSA-N 435.365 5.132 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC([C@H](F)c2ccccc2F)CC1 564481272 BXRMGWKMDFSVMC-AOMKIAJQSA-N 429.536 6.032 30 20 IKED N#CCc1cccc(Br)c1OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 570205310 VWVYNMIQYFALLU-UHFFFAOYSA-N 447.638 5.205 30 20 IKED COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 578562766 VRDZNAKXSLUDAQ-MHECFPHRSA-N 442.519 5.759 30 20 IKED C=CCn1c(SC[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)nnc1-c1ccccc1F 588635816 GPARFSWBUWUVEW-YJBOKZPZSA-N 447.963 5.154 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)Nc3sc(-c4ccccc4)cc3C#N)s2)cc1 603968064 JVGFWRMBLIZWIC-UHFFFAOYSA-N 431.542 5.980 30 20 IKED N#CCCCOc1cccc(NC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)c1 603972091 QXADVXMLBCOFNV-UHFFFAOYSA-N 447.495 5.070 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 606771322 DREDKHYWSQMRKA-TXEJJXNPSA-N 449.313 5.473 30 20 IKED CC(C)(C)c1ccc(CCCCC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 608871375 BNEKSIGTDGKYBQ-UHFFFAOYSA-N 445.607 5.446 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCc4ccc(O)cc4C3)cc2Cl)c1 609079441 CWBOPHPLHAKWJX-UHFFFAOYSA-N 433.895 5.086 30 20 IKED C[C@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)Nc1ccc(C(C)(C)C#N)cc1 609205683 QMZCNUIREQBEKO-DJJJIMSYSA-N 444.398 5.855 30 20 IKED Cc1cccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1I 609377257 RMXQADBEHOASNJ-LBPRGKRZSA-N 436.318 5.104 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3cccc(NC(=O)C4CCC4)c3)cc2)c1 609434187 BRXCUMXVICNDLU-UHFFFAOYSA-N 440.503 5.411 30 20 IKED CCOc1ccc([C@H](NC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccc2)cc1 609434630 DIGMDGKGWCPPNS-UQBPGWFLSA-N 445.588 6.391 30 20 IKED C=CCOc1ccccc1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 609554499 SKAUIBCLMCDAPI-UHFFFAOYSA-N 429.476 5.246 30 20 IKED Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 609727603 NXOCDUKKVOTSEI-UHFFFAOYSA-N 447.922 6.159 30 20 IKED CCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)[C@H](C)c1cccc(O)c1 609844901 PFUFGVMCKMLYGP-QGZVFWFLSA-N 449.938 6.111 30 20 IKED COc1cc(C[S@@](=O)[C@H](C)c2ccc(F)c(F)c2)ccc1OCc1cccc(C#N)c1 609923813 RVHLUUGVYJEFGH-RKXCMPKHSA-N 441.499 5.434 30 20 IKED C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](C#N)c1ccccc1Br 609993886 AXTSILNRRQLODA-PXAZEXFGSA-N 425.248 5.028 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccnc(N3CCCCC3)n2)cc1Cl 610040207 KOYRMBCHAXTEPZ-HXUWFJFHSA-N 431.927 5.028 30 20 IKED C[C@H](NC(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21)c1cccc(C#N)c1 610408053 FTMUZIYMLBMTHY-SCLBCKFNSA-N 430.371 5.260 30 20 IKED COC(=O)C(C)(C)[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1 610820493 UYQSQMDIMDUQAH-OXJNMPFZSA-N 425.554 5.143 30 20 IKED C[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1nc(-c2ccc(Br)cc2)no1 614185441 PWECURLYAUPLKZ-AWEZNQCLSA-N 425.330 5.151 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)c3c(Cl)cccc3Cl)n2)cc1 726325307 NJWIBKFZXAXTSI-SWLSCSKDSA-N 431.344 6.105 30 20 IKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(C)s2)cc1 726570745 JYRCESNGSDVJHL-UHFFFAOYSA-O 441.001 5.755 30 20 IKED C#Cc1cccc(N2C(=O)/C(=C/c3ccc(OC(F)F)c(OCC)c3)SC2=S)c1 726627505 RAFAYJDNXSEROC-PDGQHHTCSA-N 431.485 5.074 30 20 IKED C=C(C)COc1cccc(NC(=O)/C=C\c2ccc(OCc3c(C)noc3C)c(OC)c2)c1 727330620 OJOJPUYGPQIPCA-BENRWUELSA-N 448.519 5.486 30 20 IKED N#C[C@@H](C(=O)CSC[C@H]1CCCCO1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 727627315 DZMOJKODBMUHQA-MYDUQWEHSA-N 430.639 5.089 30 20 IKED COc1ccc(OC)c(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 728175189 LLECKYSHTHCNKJ-UHFFFAOYSA-N 437.496 5.102 30 20 IKED C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 728466067 OIAVDKXXCUVGRN-IBVKSMDESA-N 447.538 6.139 30 20 IKED COCCSc1ccc([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 729037135 WECMORWXFIAARL-UQBPGWFLSA-N 445.588 5.963 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC([C@@H](O)c4ccccc4)CC3)cc2)c1 731400479 PDZOHLOEDBHBFU-VWLOTQADSA-N 427.504 5.328 30 20 IKED N#CCSc1ccccc1NC(=O)COC(=O)c1cc(-c2ccccc2)ccc1Cl 732405898 GZFIOHTWXATVRS-UHFFFAOYSA-N 436.920 5.418 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c1 734986483 NNKMENVMRDKULI-UHFFFAOYSA-N 433.895 5.093 30 20 IKED FC(F)(F)c1ccc(-c2nc(CON=Cc3c(Cl)nc4ccccn34)cs2)cc1 736609697 FGCQTVFEWXXHGT-UHFFFAOYSA-N 436.846 5.681 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2C)cs1)c1ccc(F)cc1F 739424399 IZZWOYFPKNMEDG-YVMONPNESA-N 443.431 5.219 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(OCc2cccnc2)cc1 739552624 TZZWRKUKPDLHIQ-UHFFFAOYSA-N 428.410 5.497 30 20 IKED N#CCOc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F 740785923 NTWDACJZNFUTNO-UHFFFAOYSA-N 434.361 5.514 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(c2ccc(C)c(F)c2)C(=O)N[C@H]1c1ccc(C#N)o1 743742791 UCAMZEWZEPSSCI-QFIPXVFZSA-N 433.414 5.009 30 20 IKED CC(=O)Nc1ccc(N(CCCSCC#N)Cc2ccc(Br)cc2)cc1 745984288 HNRHNPZVDXEGIQ-UHFFFAOYSA-N 432.387 5.061 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)n1 747193017 CKVYBOQZOTUVPP-MSOLQXFVSA-N 427.570 5.489 30 20 IKED N#Cc1ccc(NC(=S)Nc2nc3ccccc3n2CCc2ccccn2)cc1Cl 748595148 DAWHTMRTCPMBLW-UHFFFAOYSA-N 432.940 5.008 30 20 IKED O=C(/C=C/c1ccc(-n2cncn2)c(F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 750916988 QOWROBJJVNYXJA-DUXPYHPUSA-N 429.295 5.340 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1ccc(F)c(F)c1)c1nc2cc(C(F)(F)F)ccc2s1 756242874 QLDNHGZKCGYPHV-LBPRGKRZSA-N 438.377 5.433 30 20 IKED CCCCOc1c(Cl)cc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc1OCC 762292984 DCJHRQPEEZIYDL-JOCHJYFZSA-N 442.943 5.003 30 20 IKED CCOc1cc(/C=C/C(=O)c2cc(Br)ncc2F)ccc1OCC(F)(F)F 762427534 VJKXESVDFPNTSU-HWKANZROSA-N 448.210 5.219 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C1=CCCC1 764755599 ZVTIJAIXCJXJOI-UHFFFAOYSA-N 426.197 5.082 30 20 IKED CC(C)(C#N)c1ccccc1COC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 767981778 VXJGXLQWOUJSPR-UHFFFAOYSA-N 440.543 5.237 30 20 IKED C#CCCCCC(=O)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 775611291 RARMPVMLZBKWHK-SFHVURJKSA-N 447.398 5.278 30 20 IKED COc1ccc([C@H](N[C@H](C)c2ccc(OCC#N)cc2)c2ccccc2Cl)c(OC)c1 776162353 FUBZSOYRYNKTSM-CRICUBBOSA-N 436.939 5.700 30 20 IKED C[C@H](C#N)Oc1ccc(CN[C@H](CC(F)(F)F)c2ccc(Br)cc2)cc1 778218129 OWNQEPIPCZRGKE-FZKQIMNGSA-N 427.264 5.523 30 20 IKED N#CCOc1cc(F)ccc1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 779609095 IJKMKJRZUDDPOH-UHFFFAOYSA-N 446.232 5.271 30 20 IKED O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1sccc1SC(F)F 781202447 KQAKYRZJLAZCDB-LLVKDONJSA-N 433.370 5.698 30 20 IKED C[C@@H](NC(=O)[C@@H](C#N)C(=O)Cc1c[nH]c2ccc(Cl)cc12)c1ccc(Cl)cc1Cl 787050027 NSKZZFHHIUIRJV-DIFFPNOSSA-N 448.737 5.257 30 20 IKED COc1ncc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1Cl 789157676 POSYFUFXWANVNS-YVMONPNESA-N 448.331 5.434 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cc1cccc(Cl)c1Cl 789250276 TXWIRIXISUGXPY-ZDUSSCGKSA-N 437.348 5.112 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OCCCC)cc2)[n+]2cccc(C)c2)c1 789401814 NRBQXQLTTLFONI-UHFFFAOYSA-O 443.592 5.766 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 789459218 OKNOLQJTJGERSE-VWLOTQADSA-N 427.589 5.403 30 20 IKED CCN(Cc1ccccc1NC(=O)c1cc(-c2cccc(C#N)c2)no1)C(=O)OC(C)(C)C 789896844 KSJPWIVSZJCNMV-UHFFFAOYSA-N 446.507 5.223 30 20 IKED CC(C)(C)OC(=O)N[C@H](CCC(=O)[C@H](C#N)c1nccc2ccccc12)c1ccccc1 792095697 XHDIBVVQBVNOQJ-FCHUYYIVSA-N 429.520 5.457 30 20 IKED CC(=NNc1ccc(Br)cc1C(F)(F)F)c1ccc(C(=O)N(C)C)cc1 793013520 USWBNCWOESRSAH-UHFFFAOYSA-N 428.252 5.006 30 20 IKED CC(=NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ncc(Br)s1 794982188 UCKVRWGVYLUQQF-UHFFFAOYSA-N 442.264 5.218 30 20 IKED Cc1nc2cc(F)c(F)cc2n1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 796632096 BPPJOPQJKRGTJR-AWEZNQCLSA-N 442.878 5.276 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cccc(C(=O)Nc2ccccc2)c1 796791683 ZWJOWXPRBFGFRO-QHCPKHFHSA-N 439.515 5.025 30 20 IKED C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797570484 HFYRVHLRIIZQAE-PWSUYJOCSA-N 441.778 5.500 30 20 IKED COCCCn1nccc1/C=C/C(=O)c1sc(-c2ccccc2Br)nc1C 802705267 WWKAYAYUULNEIO-CMDGGOBGSA-N 446.370 5.010 30 20 IKED C=CC[C@@H](NC(=O)NCc1cccc(Oc2cc(OC)cc(OC)c2)c1)c1ccncc1 806820484 XHYMRYUAYSKBHC-XMMPIXPASA-N 433.508 5.008 30 20 IKED Cc1cc(C(F)(F)F)nn1CC(=O)O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 810602793 WBRAKKLPIUCMOB-CYBMUJFWSA-N 434.258 5.076 30 20 IKED C[C@H](OC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C(=O)N(CCC#N)c1ccc(F)cc1 915420328 WNNHEJHPQBRBRD-LBPRGKRZSA-N 448.281 5.106 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cn(Cc2ccccc2)c2ccccc12 916882901 LZTTYRHZAFGEAM-NRFANRHFSA-N 427.891 5.304 30 20 IKED N#C[C@@H](C(=O)CSCc1cccc(Cl)c1)C(=O)Nc1ccc(SC(F)F)cc1 916884265 VJWGHRGSGCGAHP-INIZCTEOSA-N 440.924 5.235 30 20 IKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(C)c(C)c2)s1 920172956 LQEMJWWLFLTDNP-JXFKEZNVSA-N 441.622 5.035 30 20 IKED CC(C)(Oc1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920804064 JVSZFEQEGPOYCZ-AWEZNQCLSA-N 432.879 5.776 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc4n[nH]cc4c3)cc2)CCC1 1788431444 IHMMBNWJKHEYRZ-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)CCc3ccccc3C)cc2)CCC1 1791344402 XQONATSXYSMQDV-UHFFFAOYSA-N 434.580 5.045 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ccccc23)n[nH]1 1818454309 QJHZBUSDQAMKOW-FQEVSTJZSA-N 438.478 5.080 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)cc(F)c2F)[nH]n1 1819308762 ATRUJSMQAZIDHM-OXJNMPFZSA-N 442.510 5.071 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3nscc23)n[nH]1 1821519640 DLOPNQKYJDTGPU-IIBYNOLFSA-N 449.580 5.094 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cc(C)ccc2C)n[nH]1 1822048989 JXHOCWJOXHNGMF-GGAORHGYSA-N 434.584 5.030 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CSc2ccccc2)CC1 1826515329 BONSMMKQLDSACS-QHCPKHFHSA-N 442.669 5.391 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)c(C)c2)CC1 1830566736 MFADUXANPHDSNP-LADGPHEKSA-N 426.576 5.136 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)c2ccc(Cl)cc2)CC1 1832024854 KTDFKKBZTZQYRJ-RDPSFJRHSA-N 443.031 5.257 30 20 IKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 1832829438 NMINTIOKHAKHDZ-VWLOTQADSA-N 444.575 5.126 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)C1 1843993734 KKDBQWOMBAJUEG-UHFFFAOYSA-N 439.987 5.006 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)Cc3ccc(Cl)cc3Cl)s2)cc1 14621480 ZDSDVNSGZSPZNU-UHFFFAOYSA-N 435.361 5.190 30 20 IKED CCN(CC)c1ccc(-c2nnc(SC[C@@H](C#N)CCC#N)n2-c2ccccc2C)cc1 15244838 GYEOYEJRZRHGNK-HXUWFJFHSA-N 444.608 5.625 30 20 IKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2cc(C)c(C)cc2C)[n+]2ccccc2)c(Cl)c1 15248380 RAIAHABSXNUXJY-UHFFFAOYSA-O 438.016 6.221 30 20 IKED CCn1c(-c2ccccc2)c(C(=O)CSc2nc(N)c(C#N)cc2C#N)c2ccccc21 22111804 IQBJATYKABCHSQ-UHFFFAOYSA-N 437.528 5.024 30 20 IKED Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)ccc2C)c1 25837776 FDDPZXPSEDTACN-UHFFFAOYSA-N 447.560 5.158 30 20 IKED N#Cc1c(NC(=O)CCSc2nc3ccccc3n2C(F)F)sc2c1CCCC2 45698659 LPGKVFLHPABSCA-UHFFFAOYSA-N 432.521 5.364 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCC2CCN(Cc3cccs3)CC2)cc1 61776555 VLKHGRFJBIOKGK-UHFFFAOYSA-N 446.576 5.446 30 20 IKED Cc1cc(C)c(N2C[C@@H](C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)CC2=O)c(C)c1 195664287 AFFVBTXTNJLMJW-DOTOQJQBSA-N 437.952 5.104 30 20 IKED C=CCn1c(SCCC(=O)Nc2ccccc2SC)nnc1-c1ccccc1F 217675142 RYTIPOLWTVPNJO-UHFFFAOYSA-N 428.558 5.113 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3cccc(NC(=O)C4CCCC4)c3)c2)c1 238141573 QXBJIJNHEKWMQK-UHFFFAOYSA-N 439.559 5.556 30 20 IKED C[C@@H](c1ccc(Br)cc1)S(=O)(=O)Cc1ccc(-c2ccccc2C#N)cc1 427188384 ZPMZPDBOMLBBPL-INIZCTEOSA-N 440.362 5.664 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccc(O)c(Br)c1 428873139 SDJQWEPLQNNHAI-UHFFFAOYSA-N 439.334 5.108 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1nccn1CCCc1ccccc1 435132876 MHYKDZIKVASGSJ-LJQANCHMSA-N 433.581 5.232 30 20 IKED Cc1cc(SC2CCCCC2)ccc1NCc1cn(CCC#N)nc1-c1ccncc1 435135624 SIBNMKWOIMZXIX-UHFFFAOYSA-N 431.609 6.204 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2nc(-c3ccc(O)cc3)cs2)cc1 439524842 MFZFJXPWNDDFDB-UHFFFAOYSA-N 427.485 5.219 30 20 IKED CS(=O)(=O)c1cccc([C@@H](NCC#Cc2ccccc2Cl)c2ccc(Cl)cc2)c1 446993853 MLQDURHDGHROOW-QHCPKHFHSA-N 444.383 5.128 30 20 IKED CN(Cc1ccccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccccc1 447698506 CEWJPHFBHPYPEZ-UHFFFAOYSA-N 434.499 5.634 30 20 IKED C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 460953235 SVADRFHEICQKLS-NOVUIFNWSA-N 443.016 5.033 30 20 IKED C[C@@]1(c2ccc(F)cc2)NC(=O)N(c2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1=O 461899934 KPZKJRAMETVIKD-QHCPKHFHSA-N 435.842 5.115 30 20 IKED CCc1ccc([C@H](Nc2cc(C#N)c3ccccc3n2)c2cccc(S(C)(=O)=O)c2)cc1 462930002 AFZJMMUEDVCSCP-SANMLTNESA-N 441.556 5.274 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cc(COc4ccccc4F)on3)c2)c1 464549406 MICCXSQSTCAENF-UHFFFAOYSA-N 443.434 5.096 30 20 IKED O=C(CSCCOCC(F)(F)C(F)(F)F)Nc1cc(C(F)(F)F)ccc1Cl 468636406 AOSIEMATRNYURZ-UHFFFAOYSA-N 445.759 5.245 30 20 IKED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Br)c(F)c1 469292602 YBEDANYPLGZXMX-CQSZACIVSA-N 430.321 5.344 30 20 IKED COc1ccc(-c2ncc(C(=O)Nc3ccccc3SC[C@H](C)C#N)s2)cc1OC 469410064 MSNOBIJIJHJQRG-CQSZACIVSA-N 439.562 5.331 30 20 IKED CC(C)(C)OC1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 469697510 JFJDUEWDYSNBHR-UHFFFAOYSA-N 441.959 5.602 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1cccc(OC(F)(F)F)c1 470010762 ZQFQQRNYZFALEH-HNNXBMFYSA-N 437.487 5.050 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@H](c3ccc(Cl)cc3)C3CC3)ccc21 470540673 BCCMEQVYEDPIGP-QHCPKHFHSA-N 436.943 5.196 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 471283299 QSVLNGYGCDKSGL-XAYKYTGQSA-N 448.361 5.518 30 20 IKED Cc1ccc([C@@H]2CCCN2CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)s1 472252220 XORCELNDEWLHDW-NRFANRHFSA-N 436.581 5.154 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 476082626 CWCUFECJJORQPD-UHFFFAOYSA-N 443.572 6.473 30 20 IKED O=C(NCc1ccc(F)cc1C(F)(F)F)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 479687298 GLJXAJNCJGWRJW-UHFFFAOYSA-N 449.301 5.118 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nccc3ccccc23)cc(OC)c1OCc1ccccc1 483238932 XOQLJBXPFMOBBB-QFIPXVFZSA-N 438.483 5.321 30 20 IKED C[C@@H](NCCc1nc(C(F)(F)F)cs1)c1ccc(OC(F)F)cc1OC(F)F 483872391 OQKPLRKDFQNHNM-MRVPVSSYSA-N 432.361 5.258 30 20 IKED Cc1cc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)ccc1F 485945910 QPNVTMHKPFFSDB-UHFFFAOYSA-N 431.311 5.610 30 20 IKED C=CCSc1ccccc1C(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 486421557 XKXBOWNRNAOSIX-NRFANRHFSA-N 432.593 5.169 30 20 IKED C[C@@H]1CCCN(Cc2csc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)n2)C1 486953577 HHPBLVGJHXTDAD-QGZVFWFLSA-N 432.549 5.291 30 20 IKED CSc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 487419749 UAHWTCQPXNOQJJ-UHFFFAOYSA-N 433.480 5.599 30 20 IKED CCC(C)(C)OCc1cccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1C 488847057 XGZJWCQTAARGFX-UHFFFAOYSA-N 432.520 5.996 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc(SC)c3)o2)cc1 489801861 AYAVAAGLSPPMLP-CQSZACIVSA-N 427.551 5.143 30 20 IKED Cc1ccnc2sc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c(C)c12 490758589 MVPYDOJANUNCQI-GFCCVEGCSA-N 425.485 5.805 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H](c1ccccc1C)C1CC1 491435571 UDGOLHBFSWGAAU-VWLOTQADSA-N 439.515 5.173 30 20 IKED C=CCN(C(=O)c1ccc(F)c(SC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 499128901 BXMWNQMYLJLBPE-UHFFFAOYSA-N 429.498 5.412 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)c1oc2ccccc2c1CSc1ncccn1 499450031 AKUCVNZGVXBWHQ-UHFFFAOYSA-N 433.508 5.483 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cccc(-n2nccc2C(F)(F)F)c1 501965030 XMFZXYXMFZESNF-UHFFFAOYSA-N 426.442 5.061 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)cc1 502425965 QCYZDFMXBQKGJD-UHFFFAOYSA-N 443.507 5.199 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N(CCC#N)Cc3ccccn3)cc12 505212384 AKJZDGZRXKLMLJ-UHFFFAOYSA-N 449.967 5.059 30 20 IKED COc1ccc(CN(CC2CC2)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c(OC)c1 505311614 RSVKJIWCSUVORH-KRWDZBQOSA-N 439.581 5.400 30 20 IKED CC(C)c1c(C(=O)N[C@@H](C#N)c2ccccc2Cl)cnn1-c1ccc(C(F)(F)F)cn1 505693892 IZGMOSDUSJNNPI-KRWDZBQOSA-N 447.848 5.058 30 20 IKED C=CCn1c(SCc2cc(Cl)ccc2OCc2cccnc2)nnc1-c1ccncc1 505881816 SNXCIIBOELNVDY-UHFFFAOYSA-N 449.967 5.446 30 20 IKED Cc1c(Cl)cccc1NC(=O)CCNCc1cccc(OCc2cccc(C#N)c2)c1 507913829 NVLZBHWZUBFZAV-UHFFFAOYSA-N 433.939 5.218 30 20 IKED Cc1ccccc1[C@H]1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 508329131 DOWVFNSWPDTCHA-QHCPKHFHSA-N 425.532 5.662 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H]3Cc3ccccc3)c2)cc1 509857056 WUBZZJSCSOCSIQ-RUZDIDTESA-N 425.532 5.571 30 20 IKED N#Cc1cccc(COc2cccc(CNc3ccc(NC(=O)CC(F)(F)F)cc3)c2)c1 509950407 YRUMKOHTWYVZBR-UHFFFAOYSA-N 439.437 5.640 30 20 IKED C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510007198 SXAOFRODXQJSQD-YCRPNKLZSA-N 439.893 6.499 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H](c3cccs3)C3CC3)s2)cc1 510240804 DZFBHIPKJOLSDS-MRXNPFEDSA-N 427.580 5.036 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)c1nc(O)c2c3c(sc2n1)C[C@@H](C)CC3 512512747 ZKIPCUCYTAMFAT-IRXDYDNUSA-N 439.629 5.438 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1cccnc1Oc1cccc(Br)c1 512868809 IZGTWOUUWFCCBO-UHFFFAOYSA-N 438.281 5.159 30 20 IKED COC(=O)c1ccoc1CSc1ccccc1C(=O)[C@@H](C#N)c1nc2ccccc2s1 513672220 PQCAKJULHFCTMF-MRXNPFEDSA-N 448.525 5.458 30 20 IKED C=C(C)Cn1c(N(C)Cc2csc([C@@H](C)OCC)n2)nnc1C(C)(C)c1ccccc1 514617473 KTLAWJIANQUISV-GOSISDBHSA-N 439.629 5.371 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 515666751 MVWUBYPAAORYEX-UHFFFAOYSA-N 431.467 5.174 30 20 IKED Cc1ccc(OCc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)o2)c(C)c1 516264880 WOQHHDVVORYWDH-QGZVFWFLSA-N 435.430 5.710 30 20 IKED C=CCN(C(=O)c1ccc(OC2CCCC2)c(OC)c1)c1nc(-c2ccccc2)cs1 517303791 STURLAIJPIIKON-UHFFFAOYSA-N 434.561 5.973 30 20 IKED CCN(Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1)C1CC1 522487857 MWRKPXYMXPFWBV-OAQYLSRUSA-N 435.980 5.938 30 20 IKED C=CCN(C(=O)[C@@H]1CCSc2ccccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 525118962 DNXWYUSQSPQIKU-GOSISDBHSA-N 437.546 5.517 30 20 IKED CC[C@@](C)(NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1nccs1 525347943 LNDKQXMCKBZZMT-JOCHJYFZSA-N 440.956 5.694 30 20 IKED COc1ccc(C)cc1-c1csc(NC(=O)c2cc(C3CC3)nc(SC)c2C#N)n1 530653971 GFGIHJMJMJJYQF-UHFFFAOYSA-N 436.562 5.245 30 20 IKED Cc1ccc(C#N)cc1NC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 531320361 ICVHBEGOCJXJBG-UHFFFAOYSA-N 443.482 5.240 30 20 IKED CN(CCc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1)C1CC1 540432297 XJDDKVJMXAWPNN-UHFFFAOYSA-N 427.573 5.598 30 20 IKED Cc1cccc([C@@H]2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)c1 542364701 QDYGAYGXTNIVLT-HSZRJFAPSA-N 425.532 5.662 30 20 IKED N#CCCn1cc(CN2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c(-c2ccccc2)n1 543997671 ANQAQQIPQPVGNZ-QFIPXVFZSA-N 440.469 5.056 30 20 IKED C=C(C)[C@H](NC(=O)NCc1cccc(COCc2ccco2)c1)c1ccc(F)c(F)c1 548453789 UQXAPTNQBMQXDA-QHCPKHFHSA-N 426.463 5.391 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 551829529 AAKLIPNCOQFRCS-CYBMUJFWSA-N 430.455 5.237 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cc1cccc(OCc2cccc(Cl)c2)c1 557587335 AGXPDDNOBPOWCW-UHFFFAOYSA-N 439.939 5.152 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1c(-c2ccc(Cl)cc2Cl)noc1C 561228158 MNLFOWWMFIELTF-UHFFFAOYSA-N 435.307 5.261 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC(OCC4CCCCC4)CC3)cc2)ccn1 565275696 KGSKIPGFUJOIKG-UHFFFAOYSA-N 434.540 5.339 30 20 IKED C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 570703130 KOQNWPKPYYWXJI-MLNJSSBLSA-N 449.407 5.373 30 20 IKED C=CCC[C@H](C(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1ccccc1 570980558 PTATVALQHYVJKO-IBGZPJMESA-N 429.442 5.208 30 20 IKED CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C#N)cc1C(F)(F)F 579537213 YCSGNYXSEWNBCZ-UHFFFAOYSA-N 429.364 5.056 30 20 IKED CCc1ccc([C@H](C#N)NC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 583699336 OGIIFMMWNCISFV-IBGZPJMESA-N 443.334 5.310 30 20 IKED CC(=O)c1ccc(Cl)c(Cl)c1OCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 589853481 CZSACHOLEXPHPO-UHFFFAOYSA-N 439.726 5.484 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)CCSc3ccc(C(F)(F)F)cn3)c2C#N)C1 589944798 UFPMXECQFZRZPY-LLVKDONJSA-N 425.501 5.279 30 20 IKED N#C[C@@H](C(=O)c1cnnn1-c1ccccc1Cl)c1nc2cc(C(F)(F)F)ccc2s1 591862614 YBQLTFMURXOJLW-NSHDSACASA-N 447.829 5.039 30 20 IKED Cc1nc(-c2ccc(CNC(=O)c3ccc(COc4ccccc4C#N)o3)s2)cs1 603833056 VFUPIZHAHRQENT-UHFFFAOYSA-N 435.530 5.154 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2cccs2)C2CC2)cc1Cl 604138784 OHRXKQWOUWUNOH-DENIHFKCSA-N 449.963 5.263 30 20 IKED Cc1ccc(N2CCC(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)CC2)nc1 604329449 MTZHAQOSUBSQDL-UHFFFAOYSA-N 446.938 5.563 30 20 IKED C=CCOc1ccc(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)cc1 604846355 SHASLZAMUMJWQC-UHFFFAOYSA-N 442.302 5.458 30 20 IKED COc1cc2nc(C)sc2cc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 608849237 CYCPJWSCNQFDBM-UHFFFAOYSA-N 429.501 5.316 30 20 IKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cnn1Cc1ccccc1 609164654 TXHYLGLHRJFFDP-HSZRJFAPSA-N 440.934 5.801 30 20 IKED COCc1cccc2sc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)nc12 609299327 IPMPBYLQFSURNA-UHFFFAOYSA-N 433.464 5.498 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCC(COc4ccccc4)CC3)c2)cc1 609662322 OHLOCWQQLPKLNJ-UHFFFAOYSA-N 426.516 5.068 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2c(F)cccc2N2CCCC2)c1 609724003 BWHRPRIEQHBNGT-UHFFFAOYSA-N 435.886 5.996 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(Oc4nccs4)c3)cc2F)c1 609907377 PDLZCBDUTJKLGB-UHFFFAOYSA-N 445.475 5.777 30 20 IKED CCc1ccc(CN2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)s1 610019606 WYVODOCTLFBKJD-QGZVFWFLSA-N 428.627 5.054 30 20 IKED Cc1cccc([C@H](C)CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 610165145 QIJGLRUBGQNJLV-JPYJTQIMSA-N 445.950 5.162 30 20 IKED C[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)c1cccc(C#N)c1 610318360 XAIURQVLAXDRIA-CYBMUJFWSA-N 442.397 5.305 30 20 IKED N#Cc1ccccc1COc1cccc(CN2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1 611276675 RRKFKFQDAIIMBU-RTBURBONSA-N 428.376 5.310 30 20 IKED CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 612563847 JYCYZADTTWBKFQ-JTHBVZDNSA-N 446.482 5.269 30 20 IKED Cc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cs2)o1 613319430 DOJYWXSNAXXWAX-AWEZNQCLSA-N 425.922 5.979 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)CC2)cc1 615507689 GBIDVDRDSUOYBP-UHFFFAOYSA-N 440.503 5.181 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCC(=O)c3ccc4c(c3)OCCCO4)cc2)cc1 620486866 FJUVHUHLOYPCNR-UHFFFAOYSA-N 442.471 5.113 30 20 IKED N#C[C@@H](C(=O)c1ccc2c(c1)CCC(=O)N2)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281492 HJALCVIBAYFDEU-HNNXBMFYSA-N 442.327 5.492 30 20 IKED C=C(C)Cn1c(-c2ccccc2OC)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 670227881 QKIMPKCBLRKGRS-ZJSXRUAMSA-N 432.568 5.134 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(OCC(F)(F)F)c1 676249272 BPEWTRMPOAGREX-GDNZZTSVSA-N 437.302 5.267 30 20 IKED O=C(c1cc(F)c(C(F)(F)F)c(F)c1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 683191479 GBRDCDYNOVGVQP-MRVPVSSYSA-N 444.347 5.479 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(C(=O)c4ccc(F)cc4)CC3)cn2)c1 683937044 PKZIYASQKSQOFO-UHFFFAOYSA-N 444.466 5.011 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1csc(-c2c(F)cccc2F)n1 726319881 PBCGPONPWZUBNW-HNNXBMFYSA-N 433.439 5.203 30 20 IKED Cc1ccc(C(=O)Nc2cccc(CNC(=S)Nc3ccc(C#N)c(Cl)c3)c2)cc1 726472066 MEJBLQSOFFXKSY-UHFFFAOYSA-N 434.952 5.259 30 20 IKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccccc2C)cc1 726571623 ZJQUWDMEQOSIJU-UHFFFAOYSA-O 448.999 6.083 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 728063182 YSRDMLFNGDQQDI-GOSISDBHSA-N 444.491 5.101 30 20 IKED CCN(CC)C(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cc1Cl 728267422 KKICBHYENQRIBH-UHFFFAOYSA-N 448.954 5.354 30 20 IKED Cc1ccc(-c2nnc([C@@H](C)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)o2)cc1 728298897 MAGQATXVTIBPBI-QGZVFWFLSA-N 428.467 5.808 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2)c1 729546475 MOCSSBYULCXJOT-UHFFFAOYSA-N 425.492 6.049 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)NCc2ccc(C#N)cc2)c(C(F)(F)F)c1 729571490 LTEWXDNOSLGCQW-UHFFFAOYSA-N 434.418 5.246 30 20 IKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CCC2)c1 730459697 LYGUZTTZHIDYBU-HXUWFJFHSA-N 443.519 5.094 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 731114296 MYSQZDDRDSXYSV-KZNAEPCWSA-N 446.617 5.095 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cc(Cl)ccc2C(N)=O)c1 734999264 ROGXYRNUOGDIFG-UHFFFAOYSA-N 426.259 5.009 30 20 IKED COc1ccc2cc(-c3cc(C(=O)Nc4ccn(CCC#N)n4)c4ccccc4n3)ccc2c1 735453368 ATXBQXBIINFUGZ-UHFFFAOYSA-N 447.498 5.426 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)cc1 740435762 UGHVDWZTQDWAAS-PKTZIBPZSA-N 444.510 5.716 30 20 IKED Cc1cc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)ccc1C(=O)NC(C)C 740453872 MZWJKNJKCMIIPG-UHFFFAOYSA-N 432.549 5.055 30 20 IKED Cc1cccc(COc2c(C)cc(C=Nn3c(S)nnc3[C@@H]3CCCCO3)cc2C)c1 743452805 ZCUJGMHBTJQUDU-NRFANRHFSA-N 436.581 5.195 30 20 IKED O=C(c1sccc1-c1ccc(F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 743870123 GKRXNQWVHJZBFY-TXEJJXNPSA-N 425.369 5.757 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)n1 747196766 BIPCLHMHWVOFKQ-PWSUYJOCSA-N 427.751 5.326 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 748538320 BLJVMKZWYOPNMT-QBUWPKIASA-N 443.613 5.445 30 20 IKED CCN(C[C@H](O)c1ccc(C)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 748942921 AONOCKJCFBBZKB-SANMLTNESA-N 443.547 5.228 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)cc1C#N 752296329 BHUQTYJSFYLDNP-QHCPKHFHSA-N 440.503 5.306 30 20 IKED N#Cc1ccccc1/C=C\C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 752304610 XBDWQWSWLRLUJN-XFXZXTDPSA-N 426.863 5.599 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1C#N 752304738 IGCCFTQGTPFKLB-QGZVFWFLSA-N 430.917 5.139 30 20 IKED Cc1occc1-c1nnc(SCC(=O)O)n1N=C[C@@H](C)Cc1ccc(C(C)(C)C)cc1 754713003 APULYDWJHYHYHC-HNNXBMFYSA-N 440.569 5.033 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1ccc(F)c(F)c1)c1nc(-c2ccc(Cl)cc2)cs1 756232616 VCKYRAIPSBVHFF-OAHLLOKOSA-N 430.863 5.581 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)cc1 757303141 DBSOFRIWZRMWAP-NRFANRHFSA-N 429.863 5.274 30 20 IKED CC(C)(C)c1ccc(OCc2nnc(S)n2N=Cc2cnc(C3CCC3)s2)cc1 760234233 PCGPLENXMRVFOK-UHFFFAOYSA-N 427.599 5.050 30 20 IKED COc1ccc2c(-c3ccccc3)c(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)oc2c1 764302793 WQHHSQSNTSUWSB-UHFFFAOYSA-N 447.834 5.794 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)c1=S 764900853 WZWGLWJKSOUCKL-FQEVSTJZSA-N 425.577 5.526 30 20 IKED C#CCCCSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccc(OC(F)F)cc1 766273893 ATMRZIXECQRRFK-HKWRFOASSA-N 442.487 5.187 30 20 IKED N#CCCCn1cc(C(=O)Nc2cccc(CC[C@@H](O)c3ccccc3)c2)c2ccccc21 768022572 IMNAUMKLBQUGAI-HHHXNRCGSA-N 437.543 5.864 30 20 IKED COc1ccc(-c2noc([C@@H](C)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)n2)cc1 768500999 XZLVCTWQNBBRML-MRXNPFEDSA-N 444.466 5.508 30 20 IKED CC[C@@H](C)Oc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccn1 777302811 QZXVVKIQSSOTHN-XLIONFOSSA-N 429.476 5.012 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(C(F)(F)F)cnc2Cl)cc1 779611025 VHIHXEHVOKDREO-UHFFFAOYSA-N 445.828 5.651 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2cccnc2)n1)c1nc(-c2ccc(Cl)cc2)cs1 783355367 LOCSHNRPAQTIHO-QGZVFWFLSA-N 436.949 5.401 30 20 IKED C#CCn1ccc(CN(CC)C(=O)N[C@@H](c2ccc(CC(C)C)cc2)c2cccs2)n1 788855089 LTRGQEAUCKXVGV-DEOSSOPVSA-N 434.609 5.097 30 20 IKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)[C@H](C#N)c1nccc2ccccc12 792095056 UEWSVADCRRKFKT-FQEVSTJZSA-N 449.341 5.763 30 20 IKED N#C[C@H](C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1nccc2ccccc12 792095611 VZWOZOMPTZYYIK-AZUAARDMSA-N 438.314 5.023 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 795941280 VVBIBFOCQXVRHM-NRFANRHFSA-N 442.393 5.050 30 20 IKED Cc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCC(C#N)(c4ccccn4)CC3)c2c1 800117570 FXAHYYAECGMEEE-UHFFFAOYSA-N 432.527 5.303 30 20 IKED N#CCOc1cccc(NC(=O)N[C@H](c2c[nH]c3ccccc23)C(Cl)(Cl)Cl)c1 806211759 MRIACTTVTKTOMB-QGZVFWFLSA-N 437.714 5.303 30 20 IKED N#CCCC[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1ccccc1 814659845 QFVFEDYWOTXJFK-HSZRJFAPSA-N 444.510 5.041 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)s2)cc1 915085764 BPLFAPKDSOCVFH-HSZRJFAPSA-N 439.540 6.035 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2NC(=O)c2cccs2)cc1 915085903 PVLVMFAJRAGTST-QFIPXVFZSA-N 437.524 5.908 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 915354200 WYDUYEKKHANLDL-QHCPKHFHSA-N 435.531 5.630 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(C2CCCC2)C1=O)Nc1ccc(F)cc1F 916206560 SLYPCDMTNMJXOJ-IBGZPJMESA-N 447.482 5.007 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cccc(Oc2ccccc2)c1 916883377 KCNDSKIUHYPSEI-FQEVSTJZSA-N 438.455 5.755 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2cccs2)n1)C(=O)Nc1ccc(SC(F)F)cc1 916887125 MNLIWFDSPUFYFK-CQSZACIVSA-N 449.529 5.076 30 20 IKED CCOc1ccc(SCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916976405 NQUXGVGYIOQWBR-GOSISDBHSA-N 428.966 5.831 30 20 IKED COc1ccc(-c2nnc(S)n2N=Cc2cc(C)n(C3CCCCC3)c2C)cc1OC 917027100 AEIALPQLONGNMK-UHFFFAOYSA-N 439.585 5.057 30 20 IKED C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917046451 KBNCTPWCTPEZIG-SKDRFNHKSA-N 425.724 5.900 30 20 IKED Cc1cc(-n2c(C)cc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c2C)no1 918113187 MVZYFWIPZOEMTH-UHFFFAOYSA-N 427.464 5.010 30 20 IKED Cc1cc(-c2noc(CCC(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)n2)ccc1F 918140987 GEMZQXZULLOVMC-UHFFFAOYSA-N 427.435 5.261 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCCC2)cc1 918446316 UOTRODVZHVNKHW-FTJBHMTQSA-N 437.543 5.328 30 20 IKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2ccccc2SCc2ccco2)c1C 919028044 RNPBMDFHVASGPA-UHFFFAOYSA-N 448.544 5.292 30 20 IKED N#C[C@H](C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)c1nc(-c2ccncc2)cs1 920267416 IMRYEGWCXHYNHK-SUQGKYDKSA-N 447.972 6.477 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@@H](C)c3ccc(OC)cc3)cc2)CCC1)C(F)(F)F 1786038682 LXDIYNSKWIEKTR-HNNXBMFYSA-N 446.469 5.051 30 20 IKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(C)(C)C)oc3C)CCC2)cc1 1786370553 DTEIBILLZQZBQP-SFHVURJKSA-N 438.568 5.224 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCc3cncc(C)c3)cc2)CCC1 1786856537 VGNWGPNXGNXOAM-XMMPIXPASA-N 431.580 5.225 30 20 IKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCS3)CCC2)cc1 1789510059 XLFBXJIVGAFRKG-NRFANRHFSA-N 442.701 5.067 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)CCNc3ccc(C)cc3C)cc2)CCC1 1789566292 QMKIUWHUCPTGNU-UHFFFAOYSA-N 431.580 5.043 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5c(Cl)cccc45)cc3)CCC2)C1 1790954749 SRISRUTVNQGEDP-UHFFFAOYSA-N 433.939 5.535 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@@H]4Sc5ccccc5[C@H]43)CCC2)cc1 1791728996 LDYZXFLDASXUGT-CCDWMCETSA-N 444.600 5.202 30 20 IKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)CCC3CCCC3)CCC2)cc1 1792236039 UVZURCRQSPVQHV-UHFFFAOYSA-N 445.563 5.042 30 20 IKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](C)c3ccc(Cl)cc3)C2)CC1 1805189506 UCUKCZJBPISEOQ-FQEVSTJZSA-N 443.031 5.443 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)ccc2C)[C@H]1c1cccnc1 1813772225 BZLBGCRYXWMTPS-LADGPHEKSA-N 433.596 5.010 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(C)ccc3[nH]2)[nH]n1 1814829349 MISLIHRNONJPSU-HSZRJFAPSA-N 445.567 5.274 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3ccoc3c2)[nH]n1 1819308963 JCBHXGZPWHCPHJ-PZJWPPBQSA-N 432.524 5.230 30 20 IKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCc2ccc(C(F)(F)F)cc2)[nH]n1 1822396092 LRSPKQAPRIDSOT-IBGZPJMESA-N 448.489 5.020 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)c(F)c2)CC1 1830097008 BPWGWUFDQUPXHE-QFIPXVFZSA-N 432.555 5.191 30 20 IKED CC1(C)CCC(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)CC1 1830423229 JDWGWWGWZFXMME-RUZDIDTESA-N 449.639 5.398 30 20 IKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1831858626 AFRPOXQQQQPURT-QHCPKHFHSA-N 439.987 5.006 30 20 IKED C=CCn1c(SCc2cc(=O)oc3cc(C)c(C(C)C)cc23)nnc1-c1cccnc1 18405306 IUMVNCIBHLGACV-UHFFFAOYSA-N 432.549 5.357 30 20 IKED Cc1ccccc1-n1ccnc1SCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 26047201 YLBCPUBGGDOFOC-SFHVURJKSA-N 430.558 5.273 30 20 IKED C=C(C)CN/C(S)=C(/C(=O)c1cc(C)c(C)c(C)c1C)[n+]1ccc(C(CC)CC)cc1 27311026 KSKFJJKOGPEKRT-UHFFFAOYSA-O 437.673 6.216 30 20 IKED C=CCN(C(=O)c1csc(COC)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 65051283 BCSAMYXEUKXMDL-UHFFFAOYSA-N 440.377 5.553 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 108953485 LWTUJDIZUBTKJA-NRFANRHFSA-N 447.922 5.110 30 20 IKED C[C@@H](C#N)Oc1ccc(/C=C(/Cl)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)cc1 110656605 LDUXEKPMRNTQFQ-RGZVIEDOSA-N 439.949 5.741 30 20 IKED CC[C@@H](C#N)Oc1cc(CNCc2cc3ccccc3nc2N2CCCCC2)ccc1OC 237024001 GVTBXMZWKRIHKZ-QHCPKHFHSA-N 444.579 5.204 30 20 IKED CC(C)(c1ccc(NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1)C(F)(F)F 429686013 XZVONSABDFITRR-UHFFFAOYSA-N 446.473 5.305 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1 433598150 DJJYLVBTMCBOOB-UHFFFAOYSA-N 439.437 6.146 30 20 IKED C[C@H]1CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC[C@@H]1c1ccccc1 437883011 TWCKRMFXCHLIOI-DFBJGRDBSA-N 438.531 5.468 30 20 IKED N#Cc1ccc(CSc2nnc(-c3ccccc3)n2Cc2ccco2)c(OC(F)F)c1 439527916 KUDKJTZUOQQENC-UHFFFAOYSA-N 438.459 5.352 30 20 IKED CCCOc1c(Br)cc(C(=O)N[C@@H](CCC#N)c2ccccc2)cc1OC 439668207 APTOTOIEYHOANL-SFHVURJKSA-N 431.330 5.021 30 20 IKED CCc1cc(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)ccc1C 440552341 WDYHTGLYDHISBU-UHFFFAOYSA-N 435.471 5.159 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cc(F)ccc1Nc1ccc(F)cc1F 441454097 DFSIXTURFPHZLZ-UHFFFAOYSA-N 441.457 5.146 30 20 IKED N#Cc1cc(Sc2nnc(-c3ccc4ccccc4c3)o2)nc2ccc([N+](=O)[O-])cc12 443424019 FUAKWUOFNYYPEI-UHFFFAOYSA-N 425.429 5.369 30 20 IKED C=C(C)COc1cc(CNc2ccc(C(=O)Nc3ccccc3OC)cc2)ccc1OC 446894827 RJCYTLWHZZBKGT-UHFFFAOYSA-N 432.520 5.523 30 20 IKED N#C[C@H]1N(Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)CCC[C@]12CCCCO2 447900162 AFJPLIYKHKIHEX-ILBGXUMGSA-N 434.971 5.165 30 20 IKED C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 460381493 RLLVCTMHQFSFHR-FQEVSTJZSA-N 441.583 5.231 30 20 IKED Cn1c(C(F)F)nc2cc(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)ccc21 462273972 CFKJTHYEXRFUHB-NRFANRHFSA-N 446.457 5.085 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ncc(-c3ccccc3)s2)cc1C 463280038 LGDZMJYCWOHAQL-UHFFFAOYSA-N 427.533 5.456 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1SCCc2sccc21 463620107 FQFUVXHBROAVIY-KRWDZBQOSA-N 426.376 5.195 30 20 IKED O=C(Nc1cc(F)c(OC(F)F)cc1F)c1cc(-c2ccccc2C(F)(F)F)on1 464537716 YEZFINLEORKYLA-UHFFFAOYSA-N 434.267 5.492 30 20 IKED CC(C)(NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1nc(C(F)(F)F)cs1 465304426 FKAGDQSXZCLPGT-UHFFFAOYSA-N 445.466 5.278 30 20 IKED CCOC(=O)[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccccc1 466109003 STUWAAACEKUQSV-QHCPKHFHSA-N 443.503 5.127 30 20 IKED Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1ccc(COc2ccccc2C#N)o1 468162817 FOFBUDTVCPFFIT-LJQANCHMSA-N 429.520 5.670 30 20 IKED CCCC[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(OC)cc1 470569584 NKZWYAXBCSZPRA-QHCPKHFHSA-N 448.567 5.331 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2ccc(Cl)c(I)c2)n1 474437664 HJGZPYGERLZBJW-SNVBAGLBSA-N 430.698 5.015 30 20 IKED CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)C[C@H](CC#N)c1ccccc1 474871464 XATPMESBMDZCGP-KRWDZBQOSA-N 432.351 5.258 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)C1(c2ccccc2)CC1 475970525 ZZHIGFFVWNKOSY-UHFFFAOYSA-N 439.968 5.090 30 20 IKED Cc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)cc1NC(=O)N(C)C 478629403 NINMATGRLQWFNG-UHFFFAOYSA-N 428.492 5.313 30 20 IKED C[C@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 479495958 LHYPKCXPDRKEEN-RNODOKPDSA-N 429.467 5.183 30 20 IKED C=CCn1c(Sc2cc(C(F)(F)F)nc(-c3cccnc3)n2)nnc1-c1cccs1 481823389 VUNYRUAOUDEAIU-UHFFFAOYSA-N 446.483 5.215 30 20 IKED N#Cc1cc(NC(=O)N(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)ccc1Oc1ccccc1 482485130 TWCOKOLZQQYPCW-GHTZIAJQSA-N 445.544 5.383 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc([N+](=O)[O-])c1C 482556898 LGQQGHKRXXOSDS-HNNXBMFYSA-N 427.869 5.179 30 20 IKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3cnc4ccccc4n3)cc(-c3cccs3)nc21 483244381 NJYRZNPAKBGBDI-INIZCTEOSA-N 438.516 5.174 30 20 IKED Cc1c([C@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C(C)C)oc2ccccc12 484911293 CTXNDQKFPYYZLZ-RUZDIDTESA-N 431.536 5.282 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC(C(=O)c4ccc(Cl)cc4)CC3)c2)cc1 486687753 KZIZHSNVNOKTBI-UHFFFAOYSA-N 444.918 5.739 30 20 IKED Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3SC[C@@H](C)C#N)o2)cc1C 487216644 DXOGNFHHBFDNQX-AWEZNQCLSA-N 438.578 5.336 30 20 IKED N#Cc1cnc2c(F)cc(F)cc2c1NCc1cccc(NC(=O)c2cccc(F)c2)c1 488221709 SVFCOHNEAUUFCR-UHFFFAOYSA-N 432.405 5.388 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)c3cc(C)n(Cc4ccco4)c3C)o2)cc1 489756670 FEJTYOIBFBJPKH-UHFFFAOYSA-N 449.532 5.336 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3CCCC[C@H]3C(F)(F)F)s2)cc1 491502282 LILXGMPOBHKEII-UONOGXRCSA-N 426.489 5.009 30 20 IKED N#C[C@@H](C(=O)c1cnc(-c2ccsc2)s1)c1nc(-c2c(F)cccc2F)cs1 492080413 MSCVMBRAJXOZNY-NSHDSACASA-N 429.498 5.763 30 20 IKED C[C@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(OC(F)F)cc1 493505920 ARIXQYWAUCIPPM-UONOGXRCSA-N 433.524 5.168 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(CCO)Cc2cccc(F)c2)cc1Cl 494511584 OYPIYRVOKCZCJS-JOCHJYFZSA-N 437.902 5.161 30 20 IKED C/C(=C/c1ccccc1)CN(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 494549373 QKYZTXHYFKTJEF-UZYVYHOESA-N 425.532 5.899 30 20 IKED COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)N(CC#N)c2ccccc2)cc1 497351793 BAUUILYJFJZAAA-XUTLUUPISA-N 445.522 5.901 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12)c1nnc2n1CCCCC2 497806106 YNYCMDGDBFQOQT-MRXNPFEDSA-N 447.951 5.425 30 20 IKED CC(C)Oc1ccc(-c2nc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cs2)cc1 502761494 TWXSQTUPTLIDSW-INIZCTEOSA-N 431.439 5.501 30 20 IKED Cc1nc(CSc2ccccc2C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cs1 505991254 KMZQAVRCADYLHO-GOSISDBHSA-N 448.400 6.045 30 20 IKED C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)[C@@H](C)c1ccc(Cl)cc1Cl 506911082 PPOWZOILWQLONA-LBPRGKRZSA-N 440.327 5.112 30 20 IKED CCN(C(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(C#N)cc1 510417017 YPFUGQPLPGVINL-UHFFFAOYSA-N 441.575 5.058 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccc(N3CCCCC3)nc2)cc1 510692997 LABMILDKEQNJKC-UHFFFAOYSA-N 427.508 5.058 30 20 IKED COc1cc(F)c([C@H](C)NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1OC 510717423 PULPSWLVBACDMU-AWEZNQCLSA-N 438.430 5.137 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C 512517639 YZEFKDWTVWADSE-QGZVFWFLSA-N 436.556 5.812 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2cccc(Cl)c2)cc1)c1nc(-c2ccncc2)cs1 512981806 UKSDTBUTFVQZKX-FQEVSTJZSA-N 431.904 6.141 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)NCC(C)(C)CCC#N)C2)n1 513151075 UDNNWNPVLBXZJP-QGZVFWFLSA-N 426.586 5.038 30 20 IKED C=CCOc1c(Br)cc(CNc2cccc(N3CCCC3=O)c2)cc1OCC 513588571 MUMJQZVUTZPXOY-UHFFFAOYSA-N 445.357 5.152 30 20 IKED Cc1nc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)sc1SCC#N 514577542 HAFJCFQMVCQGED-UHFFFAOYSA-N 437.575 5.234 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OCC(F)(F)F)cc3)n2)cc1 516269881 BUVZTLGISYLSTI-KRWDZBQOSA-N 427.407 5.113 30 20 IKED CCOc1cc(CN(C)C(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1OC(F)F 518681761 JLEFFQUSZGHNRH-HNNXBMFYSA-N 449.523 5.602 30 20 IKED CC(C)Cc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C(C)C)cc1 519439243 DMSZJYZYHKAQDO-HSZRJFAPSA-N 437.609 5.343 30 20 IKED CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 520681863 DFMNVHLEXQYPNY-HSZRJFAPSA-N 429.520 5.974 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H](Cc3ccccc3)C2)cc1 520697811 UTVSRWQFGHONLE-DEOSSOPVSA-N 439.559 5.818 30 20 IKED Cc1ccc(Cc2cnc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)s2)cc1C 521311968 NNZKYGRIDPVELT-UHFFFAOYSA-N 446.576 5.016 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nc(C2CC2)nn1-c1ccccc1 521723713 SNMRAKGABYOYNU-INIZCTEOSA-N 449.605 5.127 30 20 IKED CN(C(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2)c1cccc(C#N)c1 522115906 KKRVDMWTQDJSKK-UHFFFAOYSA-N 444.844 5.181 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)c2)cc1 522479734 MUHVMVIRLWPVQM-JOCHJYFZSA-N 436.496 5.146 30 20 IKED COc1cc(CS[C@H](C)C(=O)N(C)c2ccccc2)ccc1OCc1cccc(C#N)c1 522628600 SQENEIJMFJTASF-LJQANCHMSA-N 446.572 5.431 30 20 IKED CCOCc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 523268161 JZUXQQVYEROPMZ-UHFFFAOYSA-N 445.544 5.078 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCCC[C@H]2c2ccccc2C(F)(F)F)c1 524436713 HEKAKKQGJNHCPS-KRWDZBQOSA-N 439.384 5.938 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(Br)cc3F)cc2F)c1 524458043 CESCCTLIBQNICS-UHFFFAOYSA-N 443.247 5.430 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(=O)n(-c2cccc(F)c2)c1 530718235 CYDRKOGPSCKLDN-UHFFFAOYSA-N 439.446 5.201 30 20 IKED CC(C)(C(N)=O)c1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1 534891197 FASLGLLCKHKFQL-UHFFFAOYSA-N 433.895 5.019 30 20 IKED N#CC1(NC(=O)c2oc3ccccc3c2COc2ccccc2Cl)CCSCC1 535319228 VLKMWLUSRMPFGM-UHFFFAOYSA-N 426.925 5.184 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccccc3CCC(F)(F)F)c2)cc1 535354116 IZNTVCBXKSPRQI-UHFFFAOYSA-N 438.449 6.079 30 20 IKED CCN(C(=O)c1csc(-c2ccc(OC)c(OC)c2)n1)c1ccc(C#N)c(Cl)c1 540274700 WQEAGCLJHRGFPD-UHFFFAOYSA-N 427.913 5.019 30 20 IKED C[C@H](NC(=O)CCc1nnc(-c2ccsc2)o1)c1ccc(-c2cccc(C#N)c2)cc1 541071226 VIUWZFCVTABPJH-INIZCTEOSA-N 428.517 5.147 30 20 IKED Cc1ccc(OC2CCN(C(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)CC2)cc1C 541104338 OZGPTEGNXMOFGZ-UHFFFAOYSA-N 449.942 5.090 30 20 IKED C[C@@H]1CN(C(=O)c2ccc(Cl)c(C#N)c2)c2ccccc2N(Cc2ccccc2)C1=O 541624625 VUSHMKCTINWIKV-QGZVFWFLSA-N 429.907 5.041 30 20 IKED C=CCn1c(SCc2nc(C3CC3)cs2)nnc1-c1ccc(Br)cc1 544073067 LGKGMXWCWIRYJL-UHFFFAOYSA-N 433.400 5.520 30 20 IKED CCOc1cc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc(Cl)c1O 545170965 DVGQSPAUDHOAPL-NRFANRHFSA-N 436.895 5.018 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)Nc2cccc(CSCc3ccccc3)c2)CC1 548882465 JHCUJZHTKVMENP-UHFFFAOYSA-N 442.588 5.604 30 20 IKED C[C@H](C#N)CN(C)c1nnc(COc2ccccc2-c2ccccc2)n1Cc1ccccc1 549129495 TUBDARZCSLVEHV-OAQYLSRUSA-N 437.547 5.168 30 20 IKED N#Cc1ccc(-c2nnc(N3CCC[C@@H](Nc4ccccc4)C3)n2Cc2cccs2)cc1 549580249 WOVLTQMULTZSJU-JOCHJYFZSA-N 440.576 5.007 30 20 IKED Cc1cc(C(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)nn1-c1cccc(C#N)c1 557076103 KMPQVNKFJLISBX-IBGZPJMESA-N 438.453 5.091 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 557739445 YKVVIMQQSCEOEX-CYBMUJFWSA-N 448.375 5.132 30 20 IKED CCO[C@@H](c1noc(-c2csc(C(F)(F)F)n2)n1)c1ccc(F)cc1C(F)(F)F 567963917 SXDKAXFLYIRXPN-LLVKDONJSA-N 441.328 5.496 30 20 IKED FC(F)(F)COc1ccc(CN[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cn1 570301623 BERPGJJFOSUCPU-AWEZNQCLSA-N 432.286 5.435 30 20 IKED CCOC(=O)c1sc(NC(=O)c2ccccc2-c2ccccc2C#N)nc1C(F)(F)F 570499126 FRDONRAKZSJCTP-UHFFFAOYSA-N 445.422 5.130 30 20 IKED C=CCn1c(Cc2cccc3ccccc23)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 572766891 QERARZMMMCLIRC-PSTIOWGYSA-N 444.604 5.143 30 20 IKED C=CCn1c(CSc2ccccc2OC)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 579777359 HQZQIUAYZBLGGR-HNNXBMFYSA-N 442.535 5.167 30 20 IKED CCCN(CC)Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 580230341 ILCBZNXDXNSDML-JOCHJYFZSA-N 433.577 5.541 30 20 IKED CC(C)[C@@H](CC(F)(F)F)NC(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 582032902 HOMULNHUNBJHLT-GFCCVEGCSA-N 426.336 5.129 30 20 IKED C=CCN(C(=O)c1cnc(Cc2ccc(F)cc2)s1)c1nc(-c2ccccc2)cs1 589036591 IHRKPPFLLJYWLA-UHFFFAOYSA-N 435.549 5.829 30 20 IKED Cc1cc(C#N)cnc1C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 590131430 TVGYOGRMRPANIK-UHFFFAOYSA-N 441.922 5.040 30 20 IKED Cc1cccc([C@H]2CCCN2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 604084770 IOAJPQDQWYDYDS-LJQANCHMSA-N 435.578 5.380 30 20 IKED CC[C@@H](C)[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1nc2ccccc2[nH]1 609058075 UITJZAZABKSIEI-MWTRTKDXSA-N 428.492 5.124 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc4oc(C(F)(F)F)nc4c3)o2)cc1 609058721 NANAMNJUNKJZND-UHFFFAOYSA-N 427.338 5.143 30 20 IKED Cc1c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)nnn1-c1cccc(Cl)c1 609176503 NGPYOUJZCVIWFO-UHFFFAOYSA-N 429.867 5.145 30 20 IKED CCCc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C(C)C)cc1 609436290 YFQJDUDTWRHMTN-JPYJTQIMSA-N 437.609 5.485 30 20 IKED C[C@@H](c1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1)N1CCOCC1 609518505 DJXTXBKQACTIIF-SFHVURJKSA-N 445.494 5.135 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(CCO)CCc2ccccc2)cc1Cl 609578856 ZGBQYHYLPDFWEV-QHCPKHFHSA-N 433.939 5.064 30 20 IKED COC(=O)C[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1cccs1 609723006 TVIFXDFLRNOBKN-GOSISDBHSA-N 440.908 5.100 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C 609826972 QYZDTGUUAGHVDI-URXFXBBRSA-N 435.568 5.409 30 20 IKED C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 609934930 HXGNUVSKFGAACD-YTXWROIDSA-N 425.960 5.174 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(O)nc3cc(F)ccc23)cc1 610043135 GXQUXNSJUIEZSK-UHFFFAOYSA-N 429.407 5.004 30 20 IKED N#Cc1cccc(-c2nnc(CSc3nc4ccccc4c(=O)n3C3CCCCC3)o2)c1 610217054 JBHHTRLVAWECMU-UHFFFAOYSA-N 443.532 5.116 30 20 IKED COc1ccc([C@@H](NC(=O)NCc2ccc(C#N)cc2F)c2ccccc2Cl)c(C)c1 610402566 RKFUROQPHPAWDN-HSZRJFAPSA-N 437.902 5.257 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1 610598233 YOQKITJACWRXJN-GJZGRUSLSA-N 446.322 5.302 30 20 IKED CCOc1cc(CN(C)C(=O)c2c(Cl)cc(C#N)cc2Cl)ccc1OC(F)F 611092937 OESSYBDUQMVNSY-UHFFFAOYSA-N 429.250 5.137 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4ccc5ccccc5n4)cc3)o2)c1 613291209 WHJDPHFZKDTKJK-QFIPXVFZSA-N 430.467 5.750 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3ccc(Cl)c4ncccc34)c2)cc1 615244862 ICLVRCIQABDMGM-UHFFFAOYSA-N 442.862 5.129 30 20 IKED N#Cc1c(N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)nc2c(c1C#N)CCCCCC2 619477630 PXGLEIQHRMAKIG-CHWSQXEVSA-N 430.396 5.051 30 20 IKED CC(=O)c1cccc(OCCCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 621901518 YUNYPPJEXAXCKA-DEOSSOPVSA-N 446.934 5.996 30 20 IKED O=C(c1ccccc1CCC(F)(F)F)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 622585317 WVBWXOFSMNPMRC-LJQANCHMSA-N 433.367 5.911 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(OCC(F)(F)F)cc1 642161582 QTACSTQYENITJA-GHMZBOCLSA-N 437.302 5.267 30 20 IKED O=C(Nc1ccc(F)cc1OCCC(F)(F)F)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 670039183 LCJLBEICUFKCDV-HNNXBMFYSA-N 442.375 5.743 30 20 IKED Cc1cc([C@H](N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2cccnc2)ccc1F 680336611 LCHPPGMKDGCSJO-FAJBIJEISA-N 434.399 6.118 30 20 IKED O=C([C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 684566040 DEOIRYZGAMAVNN-UZGDPCLZSA-N 449.313 5.278 30 20 IKED COc1ccccc1/C(O)=C(/C(=S)Nc1ccc(C#N)c(Cl)c1)[n+]1cccc(C)c1 726571514 WNVNFTYOAQVITJ-UHFFFAOYSA-O 436.944 5.140 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(COc2ccc(C)cc2C)o1 726755831 JDXAJEXKZLYOAL-UHFFFAOYSA-N 425.488 5.224 30 20 IKED COc1cc(/C=C\C(=O)O[C@H](C)c2cccc(C#N)c2)ccc1OCc1c(C)noc1C 727640421 IJAFECLRPNQBKH-FPISAVPCSA-N 432.476 5.068 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)Nc1ccc(OC(F)F)cc1 727979321 ZMEHGZWXTOLDSJ-UHFFFAOYSA-N 439.487 5.856 30 20 IKED CC(C)(C)OC(=O)N[C@H](CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1 729648590 TZQGXEMHVHKFOO-LJQANCHMSA-N 439.581 5.483 30 20 IKED O=C1/C(=C/c2ccc(OCc3occc3C(=O)O)cc2)CC/C1=C\c1cccc([N+](=O)[O-])c1 730949685 ZOYBTPPCTMSUJM-KLCVKJMQSA-N 445.427 5.295 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=S)Nc3ccc(SC(F)F)cc3)cc2)c1 731319256 QJHLQYKTMPGIOU-UHFFFAOYSA-N 427.501 6.474 30 20 IKED N#CCOc1ccc(COC(=O)CSc2ncnc3scc(-c4ccccc4)c23)cc1 733374345 RIGTXRHFOMXTAV-UHFFFAOYSA-N 447.541 5.096 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@H]2Cc2ccccc2C)c1=S 734143241 BTNPJJYWMJADOR-OAQYLSRUSA-N 434.609 5.249 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)cc1 735742934 LGUFEWQTAXKMML-VXKWHMMOSA-N 440.330 5.504 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 737316756 NCXAHDNBDWFZAL-GOSISDBHSA-N 435.823 5.002 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(SCC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 741845025 XOQHNVKEPSRHLA-YVMONPNESA-N 427.400 5.163 30 20 IKED CC(C)=CC(=O)NCc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 742961053 KDSXYDOAVKUOGD-UHFFFAOYSA-N 443.478 5.324 30 20 IKED N#Cc1cc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)ccc1N1CCC(O)CC1 743010595 IVUWRWCTWRRBGN-UHFFFAOYSA-N 444.560 5.121 30 20 IKED CC(C)(C)c1ncc(/C=C/C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1 744037859 GQYKDJUKRFPMPV-GFUIURDCSA-N 435.496 5.959 30 20 IKED C[C@@H](OC(=O)c1ccccc1-c1ccccc1C#N)C(=O)N1CCC[C@H]1c1cccs1 744515490 GKKKWMHWCSTNGE-VGSWGCGISA-N 430.529 5.196 30 20 IKED COc1ccc(-c2nn(Cc3ccccc3)cc2C=NNc2oc(C(C)C)nc2C#N)cc1 745611743 GMMCSORHEUETJE-UHFFFAOYSA-N 440.507 5.036 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCCc1ccc(Br)s1 747104104 HLXBTIJEYXQSLF-HNNXBMFYSA-N 429.339 5.215 30 20 IKED N#C[C@H](C(=O)CSCc1cc(-c2cccs2)on1)c1nc2ccccc2n1C(F)F 747111380 GCWJAKZFEMGYPW-CYBMUJFWSA-N 444.488 5.258 30 20 IKED COc1cccc(-c2nc(/C=C(/C(=O)Nc3cccnc3)C(=O)c3ccccc3)cs2)c1 747128187 PYIZBNNEVQZXOG-HYARGMPZSA-N 441.512 5.119 30 20 IKED C[C@@H](ON=Cc1ccc(-n2cncn2)cc1)c1ncc(-c2ccc(Cl)cc2Cl)o1 753820924 FEDWSSYKYWXZEI-CYBMUJFWSA-N 428.279 5.341 30 20 IKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cc(Cl)ccc2SC2CCCC2)n1 755039289 JDEGZEKVKGBAQX-INIZCTEOSA-N 434.970 5.173 30 20 IKED Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 756303372 VPLTWLIZZVNPJQ-GCJKJVERSA-N 432.593 6.455 30 20 IKED Fc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)ccc1OCC(F)(F)F 758097145 QNUVWYVYPVYJLL-UHFFFAOYSA-N 444.841 5.186 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3cc4ccccc4nc3Br)CC2)cc1 760152971 MUCCXBGPHVUQHN-UHFFFAOYSA-N 433.309 5.190 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(C(=O)/C=C/c3ccccc3C#N)C2)n1 772831327 QPQZAHKTOSJANP-SJFMBGHLSA-N 429.545 5.110 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc(Oc3ccccc3)c(F)c2)ccc1OC 772987842 YJQBFRXRRWFITP-NQIIRXRSSA-N 434.511 6.158 30 20 IKED CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](NC3(c4cccc(C#N)c4)CC3)c3ccccc3O2)C1 777251153 GXURPRFSCHBOAH-NVQXNPDNSA-N 445.563 5.040 30 20 IKED Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)Nc2ccccc2O[C@H](C)C#N)c1 780673298 QJXWOWILNRHEMB-HYBUGGRVSA-N 429.520 5.054 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)N[C@@H]3CCc4cc(C#N)ccc43)ccc21 785787991 LCNFGNZGDASYFC-OAQYLSRUSA-N 432.524 5.055 30 20 IKED C[C@@H]1[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CCN1C(=O)OC(C)(C)C 786448094 ATGXPWOMQXGUEC-XOKHGSTOSA-N 445.972 5.285 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nn1C1CCCCC1 787047124 ASXJYIXKIHXNIV-KSSFIOAISA-N 447.366 5.203 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccnc(Cl)c1I 789888668 KHGDQAPABSQWNU-UHFFFAOYSA-N 440.712 5.444 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nccc2ccccc12)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 792098230 BTYMVROHYLPKSQ-BULFRSBZSA-N 429.520 5.313 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC([C@H](O)c3ccccc3C)CC2)cc1 804507318 BFZPSSOILGXEIL-MHZLTWQESA-N 440.543 5.553 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(Cl)ncc2Br)cc1 810194659 GMSBWVYAPYIUOC-UHFFFAOYSA-N 428.673 5.414 30 20 IKED CC(=O)N1C/C(=C/c2cc(C(F)(F)F)ccc2Br)C(=O)c2ccccc2C1 811694481 SKWKFPQMOLQOIT-NVNXTCNLSA-N 438.243 5.096 30 20 IKED N#C[C@@H](C(=O)Cc1c[nH]c2cccc(Cl)c12)C(=O)Nc1ccccc1Oc1ccccc1 815908337 YVJGERCPXOLUPN-SFHVURJKSA-N 443.890 5.504 30 20 IKED CC1(C)CN(C(=O)c2ccccc2SCC#N)C[C@H](c2cccc(C(F)(F)F)c2)O1 817717710 HEUOPULBLYKKCB-GOSISDBHSA-N 434.483 5.313 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1 915087852 YCUFDYABZPRGFZ-AREMUKBSSA-N 440.506 6.205 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)c(Cl)c3)N(C3CC3)C2=O)c1 916205237 MTGYJTAVVOIIAL-IBGZPJMESA-N 445.947 5.219 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2F)C[C@H](C)O1 916414792 NWEXVXHRUCNVCJ-ROUUACIJSA-N 429.495 5.230 30 20 IKED N#C[C@@H](C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1)C(=O)N1CCCC1 916867050 SMNHXUWUFPBSRV-KRWDZBQOSA-N 433.360 5.231 30 20 IKED C[C@@H]1CCc2c(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)csc2C1 916905865 PTRZOWDCWANBLF-VQIMIIECSA-N 430.529 5.626 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(s2)-c2ccccc2CC3)cc1Cl 916940613 YKVFYLKZOQGBNA-KRWDZBQOSA-N 436.920 5.137 30 20 IKED Cn1c2ccccc2c2cc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)sc21 916944265 AJLPQDHZUBOZKO-INIZCTEOSA-N 442.327 5.661 30 20 IKED CCc1nc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc([C@H](C)CC)cc3)cc2nc1CC 916947574 NFYIJDMCWOBJCT-OXQOHEQNSA-N 428.536 5.229 30 20 IKED N#C[C@@H](C(=O)CSc1ccc([N+](=O)[O-])cc1)c1nc2cc(C(F)(F)F)ccc2s1 917044150 QWLDAIVNCBQJEE-ZDUSSCGKSA-N 437.424 5.192 30 20 IKED N#C[C@@H](C(=O)COc1ccc(Cl)c(Cl)c1)c1nc2cc(C(F)(F)F)ccc2s1 917044242 PWNHCRCXIICLTM-NSHDSACASA-N 445.249 5.877 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccccc3-c3ccccc3)n2)cc1 920140455 CLNVCMGLESBBTF-QFIPXVFZSA-N 435.508 5.604 30 20 IKED N#C[C@H](C(=O)CCCOCCc1ccccc1)c1nc(-c2c(F)cccc2F)cs1 920805798 FYPUZHXYZZXCFZ-QGZVFWFLSA-N 426.488 5.304 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CC[C@H](CCC)CC2)C1 1781910550 SKRUSIULTNXBAT-DVAKJLRASA-N 446.676 5.099 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(F)F)cc4)CCC3)cc2)C1 1785810529 XLVVPAVLQQQWKO-UHFFFAOYSA-N 426.463 5.002 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3scnc3C(F)(F)F)cc2)CCC1 1787576946 QYWWUUYPTYIAQR-CYBMUJFWSA-N 437.487 5.122 30 20 IKED N#CCCC(=O)Nc1ccc(C2(NC(=O)CCc3cc(Cl)ccc3Cl)CCC2)cc1 1787888812 BWJHZPUVEMJJEM-UHFFFAOYSA-N 444.362 5.364 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cc(C(F)F)no3)cc2)CCC1 1788308156 LROBPMXHOTXDJQ-UHFFFAOYSA-N 429.467 5.128 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4nn(C)cc4c3)CCC2)cc1 1789457926 GQDGYLPSVVCBHV-QHCPKHFHSA-N 442.563 5.089 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@@H]4c4ccccc4)CCC3)cc2)cc1 1790290120 GKASFTOTWWBONX-RPBOFIJWSA-N 435.527 5.110 30 20 IKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc5ccoc45)cc3)CCC2)cc1 1790952224 HVBOAQOMSJCGGZ-UHFFFAOYSA-N 449.510 5.295 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ccoc3C(F)(F)F)CCC2)cc1 1791299543 MUJVIXSPGBXLMK-UHFFFAOYSA-N 442.384 5.258 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)cc3F)CCC2)cc1 1792266357 QCMMDICZRZYXDT-UHFFFAOYSA-N 432.417 5.006 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(C)cc2)[C@H]1c1cccnc1 1802500629 AWQLTRAMEPSGEG-TUSQITKMSA-N 447.623 5.192 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCC2CCCC2)[C@@H]1c1cccnc1 1806198417 RXLPXGRDDPPUFI-UPVQGACJSA-N 425.617 5.050 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(OC)ccc2C)[nH]n1 1814443796 AHYQVQFIIYSFNR-NRFANRHFSA-N 438.572 5.025 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccoc3s2)[nH]n1 1819305047 BVIYLDKZDPAMKO-WMZOPIPTSA-N 438.553 5.292 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccccc2C)[nH]n1 1819310250 VWTIRFLUEMHJQE-GGAORHGYSA-N 434.584 5.111 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C(F)(F)F)c2C)n[nH]1 1823289307 BNDHPLAQNFNTAS-KUHUBIRLSA-N 448.489 5.255 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2coc(C(C)C)n2)CC1 1823750217 CLJGBJLKCAOKBN-NRFANRHFSA-N 429.605 5.024 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2)CC1 1827793397 VHIYNOGOFGQJHT-OFVILXPXSA-N 445.607 5.194 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)ccc2F)CC1 1828824441 KZZSBSQEZAGPJQ-NZQKXSOJSA-N 446.994 5.481 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(C)cccc3[nH]2)CC1 1828828916 USHQZNWVWGTZHG-BKMJKUGQSA-N 447.623 5.478 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)c(F)c2C)CC1 1832617702 OFDWMWKAHODEGS-REWPJTCUSA-N 444.566 5.275 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(O)c2)cc1 10173155 VUOZDSDTLSQKNQ-UHFFFAOYSA-O 432.352 5.346 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2c(C)cccc2C)cc1 11153741 PBPXQNGRYJTBTJ-UHFFFAOYSA-O 437.654 6.273 30 20 IKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc3c(c2)CCCC3)cc1 11171091 MSFVZJNITSSJDI-UHFFFAOYSA-O 447.599 6.166 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1)=C(/S)Nc1ccc(C(C)C)cc1 11262395 CGJKVDNKIPRLSL-UHFFFAOYSA-O 438.016 6.364 30 20 IKED C=CCn1c(=S)sc2c(=O)n(Cc3cc4ccc(SC)cc4nc3Cl)cnc21 12516562 MLCKMMDURQOJCE-UHFFFAOYSA-N 447.010 5.147 30 20 IKED C=CCn1c(SCc2ncc(Cl)n2C)nc2scc(-c3ccc(C)cc3)c2c1=O 14757798 KFXASAWZFZZZTH-UHFFFAOYSA-N 442.997 5.299 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1(c2cccc(F)c2)CCCC1 32042208 HJDDNUPKBKOYFO-KBPBESRZSA-N 425.388 5.663 30 20 IKED N#C[C@@H](C(=O)CCCc1ccc(Br)s1)c1nc2ccccc2n1C(F)F 195557416 MHIFQYYVCZBGOZ-LBPRGKRZSA-N 438.297 5.455 30 20 IKED Cc1nccn1-c1ccc(CNCc2cccc(OCc3ccccc3C#N)c2)cc1F 237653050 BKKIEIHJCNRPNR-UHFFFAOYSA-N 426.495 5.060 30 20 IKED N#Cc1cc([N+](=O)[O-])ccc1Sc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1 301654713 AIKSSRBAGGSOJM-UHFFFAOYSA-N 437.868 5.171 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)cc1 303409420 UIMAHFYNXXJGJB-UHFFFAOYSA-N 429.307 5.138 30 20 IKED CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 303673664 XMSZVJUGVUYQLW-TZIWHRDSSA-N 448.567 5.208 30 20 IKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 409643339 BUSSHXUJNYCQKZ-UHFFFAOYSA-N 426.451 5.023 30 20 IKED COc1ccccc1CSc1ccccc1NCC(=O)Nc1ccccc1SCC#N 431319713 UNEAWZNLNOQLRV-UHFFFAOYSA-N 449.601 5.654 30 20 IKED CC(C)Oc1ccc(NC(=O)N(C)[C@H](c2ccncc2)c2ccc(Cl)cc2)cc1C#N 435544572 FGNPMGVRWMAXKS-QHCPKHFHSA-N 434.927 5.647 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1ccccc1 435751853 HTQPLXPJSZWKJD-NRFANRHFSA-N 435.911 5.290 30 20 IKED CC(C)(C)c1nsc(Oc2ccc(NCC(=O)NC3(C#N)CCCCC3)cc2Cl)n1 435894677 WUFFBPFYLJGDGZ-UHFFFAOYSA-N 447.992 5.036 30 20 IKED Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 436159948 WYKGYUBQSRUZBG-IBGZPJMESA-N 442.302 5.042 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3C[C@H](c4cccc(C(F)(F)F)c4)C3)cc2)nc1 437464152 WRPNBJFACYNXFM-KESTWPANSA-N 437.421 5.440 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)Nc1ccc(COC(C)C)cc1 437520211 YAGJDFKVXZYRLO-UHFFFAOYSA-N 443.503 5.161 30 20 IKED CCCc1c(NC(=O)c2nn(-c3ccccc3Cl)cc2C)cnn1-c1cccc(C#N)c1 440094771 JSRDYQCKTPCGCA-UHFFFAOYSA-N 444.926 5.096 30 20 IKED N#Cc1ccc(NC(=O)C(=O)Nc2cccc(CSC3CCCCC3)c2)c(Cl)c1 440916553 KBEHROYJXIPLCU-UHFFFAOYSA-N 427.957 5.355 30 20 IKED CCN(C(=O)NCC1CCC(C#N)CC1)[C@@H]1CCSc2ccc(Br)cc21 440999866 PIFUDSADUMBKSW-JTTJXQCZSA-N 436.419 5.347 30 20 IKED C=CCC[C@H](NC(=O)N[C@H](C)c1ccc(NC(N)=O)cc1)c1ccc(C(F)(F)F)cc1 442299190 WUAQBIVJPVOITB-KUHUBIRLSA-N 434.462 5.264 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CNC(C)(C)Cc1ccc(C(F)(F)F)cc1 442776367 DHIYPGGHFPSXQZ-INIZCTEOSA-N 449.542 5.507 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CCO)[C@@H]1CCc2ccccc21 444027838 UPXUXJMBHNTURP-RUZDIDTESA-N 427.504 5.173 30 20 IKED O=C(CN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)Nc1c(F)cccc1F 444743664 MFHRFZDGIRMWGX-CQSZACIVSA-N 426.307 5.205 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(-c3ccccc3)nc2C)c1C#N 445563851 MEHIGHQUXBIMNU-UHFFFAOYSA-N 425.517 5.089 30 20 IKED COc1ccc([C@H]2CCCCCN2C(=O)CNc2ccccc2S[C@@H](C)CC#N)cc1 446632245 SGZFSKILCVNZOT-WMZHIEFXSA-N 437.609 5.645 30 20 IKED C[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1ccc(Cl)c2ccccc12 462213712 VQRYTTPBWIAWPE-INIZCTEOSA-N 440.952 5.062 30 20 IKED N#Cc1cc(NC(=O)N2CC[C@H](n3cccn3)C2)ccc1Oc1ccc(C(F)(F)F)cc1 463757447 AYVLVYNUTJWYSZ-SFHVURJKSA-N 441.413 5.045 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC(C)(C)Cc1cccc(Cl)c1 465317539 PYINLCLERBUSKG-INIZCTEOSA-N 444.000 5.058 30 20 IKED CCCNc1ccc(C#N)cc1NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 468850004 FWFGESIKNZKOAN-UHFFFAOYSA-N 440.547 5.024 30 20 IKED CC[C@H](CN(CC)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1 470531916 MYWZFZQWQTUUKO-HXUWFJFHSA-N 432.568 5.317 30 20 IKED CCC[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(F)cc1F 470567640 ZFFATJWUBBTOCP-OAQYLSRUSA-N 440.494 5.211 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCc1cccc(OCc2cccc(C#N)c2)c1 478272049 IDVGNZSJSRQHRM-INIZCTEOSA-N 442.485 5.364 30 20 IKED C=C(C)[C@@H](NCC1(CN[C@H](C(=C)C)c2ccc(F)c(F)c2)COC1)c1ccc(F)c(F)c1 481605811 IIEVQNBJSDBZHD-DNQXCXABSA-N 448.504 5.373 30 20 IKED CN(CCc1nc(-c2ccccc2)no1)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 482514760 VDYWGNNINQQCFZ-UHFFFAOYSA-N 439.475 5.107 30 20 IKED CC(C)(C)[C@@H]1C[C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCO1 482984441 ASXHESVOTMWAOT-UZKOGDIHSA-N 425.960 5.711 30 20 IKED N#CC[C@@H](CC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F)c1ccccc1 483302598 BUVPEAZBQXTWJF-INIZCTEOSA-N 441.409 5.577 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CC)C2CCCC2)c1 483938169 DAUADTJEBCCSLY-UHFFFAOYSA-N 447.000 5.126 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2C)cc(OC)c1OC 488454040 YSEKBNWXXDFIIX-UHFFFAOYSA-N 436.552 5.056 30 20 IKED CC(C)c1nc(C2CCN(C(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CC2)no1 489996770 MPVABWLBEPOACW-SFHVURJKSA-N 443.551 5.382 30 20 IKED CCc1ccc(-c2nc(CS(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)cs2)cc1 492333186 JSHIXFPMHBYTGJ-UHFFFAOYSA-N 436.480 5.237 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C 498838289 OOIIXLGOARVKCY-NSHDSACASA-N 434.915 5.236 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CSc2ncc(C(F)(F)F)cc2Cl)c1C 501580663 PGLKBGYJCPJWFA-UHFFFAOYSA-N 427.879 5.410 30 20 IKED Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 503127893 ZGNSVIZCPPJCBK-UHFFFAOYSA-N 438.535 5.096 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc([C@H]2CCCOC2)cc1 503152184 MYEAHUYDGCQCQX-KRWDZBQOSA-N 434.483 5.857 30 20 IKED Cc1ccc(Br)c(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c1 505355670 LGIHXJHQGPLZIK-JOCHJYFZSA-N 435.321 5.331 30 20 IKED CCCN([C@@H](C)c1cc2ccccc2o1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 507319894 RDGGTVIAKJUBFP-AWEZNQCLSA-N 436.455 5.485 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc1 508141939 KPHJGNPDMTZRSX-IBGZPJMESA-N 428.532 5.405 30 20 IKED CC(=O)Nc1ccc(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 509196014 PPVAFMUSZQYFAJ-UHFFFAOYSA-N 448.910 5.327 30 20 IKED Cc1ccc([C@@H]2CCCN2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 510236018 MACYYJZOCUMKJE-IBGZPJMESA-N 435.578 5.380 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@H]3c3ccc(F)cc3)s2)cc1 510259212 XUNOOYNYSIXQQV-SFHVURJKSA-N 439.541 5.210 30 20 IKED Cc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1C(=O)NC(C)C 518184698 LLUWQALDGCCIER-UHFFFAOYSA-N 431.467 5.189 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2oc3ccc(OC)cc3c2C)cc1 519341285 ZIJXUMKCBUADDW-GOSISDBHSA-N 447.535 5.447 30 20 IKED COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 520923244 GYBPNLUCSLJYRB-HNNXBMFYSA-N 425.941 5.786 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(OCC(F)(F)C(F)F)nc1 520927953 CPNUNBNWVBNQRB-LBPRGKRZSA-N 427.423 5.007 30 20 IKED COc1ccccc1[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccccc1 521713517 QWCRROUSOASILB-SANMLTNESA-N 438.483 5.258 30 20 IKED C=C(C)COc1cccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 523713167 UYUMBBTYMBDZID-IFMALSPDSA-N 446.469 5.209 30 20 IKED Cc1noc2nc(C(C)C)cc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c12 523946919 UHGRBAJEXUBXGX-CYBMUJFWSA-N 438.459 5.546 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCc2c(Br)cccc21 524566664 XXGBQYVXSRNMBK-DYVFJYSZSA-N 430.371 5.510 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2cccc(C)n2)cc1 531968192 QKSVSOHGNPQWHS-QFIPXVFZSA-N 428.492 5.432 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1ccccc1)c1ccc(F)cc1 533055462 QQSQMWPOHOPSLS-IQGLISFBSA-N 433.552 5.395 30 20 IKED N#CCC[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccccc1 533360237 GKQZYDFXRWXAGS-HXUWFJFHSA-N 440.297 5.752 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)n1 533936110 BBLKJIHCHKOSPG-QGZVFWFLSA-N 449.333 5.314 30 20 IKED CC[C@@H](C)n1ncc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1C1CC1 534228930 IILKBOFZNVWUMM-MRXNPFEDSA-N 445.523 6.048 30 20 IKED CCc1ccccc1N(C(C)=O)c1nc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cs1 535206544 NJPIOVOMAWJZQZ-UKILVPOCSA-N 444.604 5.662 30 20 IKED C[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H](C)c1ccccc1C(F)(F)F 542566445 KTZWSZODIQTVGM-IKGGRYGDSA-N 449.542 5.820 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 545111541 CNFIHADGYIUHQG-UHFFFAOYSA-N 447.466 5.409 30 20 IKED C[C@@H](Cc1cnc2ccccc2n1)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 549469125 SBUAEFRTPTYEOK-IBGZPJMESA-N 438.506 5.048 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(OC(F)F)c(F)c1 550846349 JAWYJZTYECUSCC-UHFFFAOYSA-N 434.361 5.704 30 20 IKED COc1ccc(CNc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)cc1OCCCC#N 551451900 CWHHMRQTWCIOFT-LJQANCHMSA-N 435.568 5.170 30 20 IKED CCN(C(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C)c1ccc(C#N)c(Cl)c1 553049621 DWTUHHBDAFQXGY-UHFFFAOYSA-N 441.915 5.640 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccccc1COCc1ccccc1 554398801 BUYSRMOPMSHKBR-UHFFFAOYSA-N 432.568 5.791 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(OCc2ccccc2)CC1 558995790 NLGYTGQUZQPWKI-UHFFFAOYSA-N 441.579 5.112 30 20 IKED N#Cc1ccc(Oc2cccc(NS(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)c2)cc1 560795620 GYGUYFLCWGLLSS-UHFFFAOYSA-N 443.406 5.042 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2noc3cc(F)ccc23)CC1 562024889 NWTPVIQVODVWRX-OAHLLOKOSA-N 438.528 5.773 30 20 IKED C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1c(F)cncc1F 566355854 QYTYTPWLFAWTRA-CYBMUJFWSA-N 442.853 5.347 30 20 IKED CC[C@](C)(NC(=O)c1ccccc1)c1noc(/C=C\c2cn(CCC#N)c3ccccc23)n1 571721788 JQSULCJNKXRUIL-VMPOVSTKSA-N 439.519 5.164 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)[C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)cc2)ccn1 576079387 NSQCAPWEFYBXBZ-KNQAVFIVSA-N 437.858 5.254 30 20 IKED COc1cc(OC)c(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1Cl 577291146 CGYWAOAFKOWBQB-UHFFFAOYSA-N 448.350 5.127 30 20 IKED O=C(NCC1(C(F)(F)F)CC1)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 584428905 XLLLXVRNTKKVOB-UHFFFAOYSA-N 437.315 5.496 30 20 IKED C=CCN(C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)c1nc2c(s1)CCCC2 591666768 XHNHUTLPXCQBIE-UHFFFAOYSA-N 431.561 5.131 30 20 IKED C=CCN(C(=O)CCCOc1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 602104859 VPJOYFBDLNOCAO-UHFFFAOYSA-N 441.484 5.236 30 20 IKED Cc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(C)c1 604464149 AUVOYDIFXVLWNQ-LJQANCHMSA-N 427.504 5.126 30 20 IKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 604521331 YAFYTCMVLACTIH-FYYLOGMGSA-N 446.576 5.237 30 20 IKED COc1ccccc1CC(C)(C)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 609206629 VQPKDFIROLMKDX-UHFFFAOYSA-N 443.547 5.483 30 20 IKED CC(C)[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccccc1 609400570 JPRLZTBLHUGATP-IBGZPJMESA-N 449.498 5.163 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3cccc4c3OCCO4)cc2)c1 609433775 HWMLUMHKUKIDPQ-HSZRJFAPSA-N 441.487 5.491 30 20 IKED Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 609438636 MSVSFHSBDBMASF-ZWKOTPCHSA-N 443.016 5.691 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CC=C(c4c[nH]c5ncccc45)CC3)cc2)cc1 609514205 JRORRPLDAPPMIW-UHFFFAOYSA-N 434.499 5.351 30 20 IKED Cc1ccccc1[C@H](NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@H]1CCC[C@H](C)C1 609599321 OWBMTXNSAITIDO-NDIWIEOSSA-N 445.611 5.097 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C)c1cccc(Cl)c1Cl 609813050 RAJVSHCIAXCDNT-QWHCGFSZSA-N 436.364 5.061 30 20 IKED COc1cccc(NCc2nnc(S[C@H](C)c3ccc(C#N)cc3)n2C2CCCCC2)c1 609813770 PISHJNZGTDIRIH-GOSISDBHSA-N 447.608 6.129 30 20 IKED CCOc1ccc(-n2c(S[C@@H](C)c3ccc(C#N)cc3)nnc2-c2ccncc2)cc1 609813791 RVAKGCHGOLHGHO-KRWDZBQOSA-N 427.533 5.453 30 20 IKED CN(C(=O)c1cc2ccccc2n1CC#N)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 611452516 ZMGFQOXVSPYSPR-CTNGQTDRSA-N 425.454 5.592 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2cccs2)n1)c1nc(-c2ccc(Cl)cc2)cs1 613319221 AATBUHZKYCXBNR-ZDUSSCGKSA-N 427.963 6.139 30 20 IKED CCCc1c(NC(=O)c2cccnc2Sc2ccccc2)cnn1-c1cccc(C#N)c1 615290565 MUYDSPOZIRLZMW-UHFFFAOYSA-N 439.544 5.495 30 20 IKED C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cccs1 619854297 VCKSAECXCMOZQC-OPAMFIHVSA-N 441.988 5.311 30 20 IKED O=C(N[C@H](c1cc(F)ccc1F)C(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 683961304 MAAKHKPVZZUMKH-DNSOKLHBSA-N 440.281 5.043 30 20 IKED N#C[C@H](C(=O)c1ccc(COC(F)(F)F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 684631082 KUJNQPJWBYVVCQ-CYBMUJFWSA-N 444.356 5.842 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2cn(C)c3ccccc23)cs1)c1ccc(F)cc1F 726740399 DVRFJZLLSOQJAS-CSKARUKUSA-N 437.471 5.494 30 20 IKED C#Cc1cccc(N(Cc2ccco2)C(=O)CCc2ncc(-c3ccc(OC)cc3)o2)c1 728182535 WOYARWKMVYSMGK-UHFFFAOYSA-N 426.472 5.091 30 20 IKED N#C[C@H]1C(CN(Cc2ccccc2Cl)C2CCCC2)=CC(=O)n2c1nc1ccccc12 729478905 LXGKMNYKXIEUPS-FQEVSTJZSA-N 430.939 5.322 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 731288587 XKZHKPNWZQGJFO-VAMGGRTRSA-N 432.907 5.261 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccccc2COc2cccc(C=O)c2)cc1 731628597 CYSOLDRQCXHFIU-UHFFFAOYSA-N 428.488 5.037 30 20 IKED CC[C@H](C#N)Oc1cc(CN=c2nc(-c3cccs3)[nH]c3ccccc23)ccc1OC 733304508 ZLCLPUTUWJASPD-QGZVFWFLSA-N 430.533 5.082 30 20 IKED N#C[C@H](C(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1)c1nc2ccccc2o1 733681090 OOBJOAODXKQVAY-VRUMLPLGSA-N 449.510 5.184 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1 733775506 XWIMYMMXKJLVLP-JTQLQIEISA-N 433.122 5.306 30 20 IKED CC(C)OC(=O)NCc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1 735028431 QRHNGZGABQRUBX-UHFFFAOYSA-N 447.466 5.377 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=S)Nc3ccc(OC(F)F)c(Cl)c3)cc2)c1 735626860 JIULQAOLZMVPPC-UHFFFAOYSA-N 445.878 6.414 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)CCc3nc4cc(C(F)(F)F)ccc4s3)[nH]c12 735793301 SBVXKUQDXWFPED-CYBMUJFWSA-N 428.439 5.309 30 20 IKED CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 736956838 YSHPKAHQMSGRBC-VEYWIMSWSA-N 433.939 5.893 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)c2)cc1 737780741 ZCTLHYKNDMMSJO-UHFFFAOYSA-N 430.895 5.334 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)C3CCC(NC(=O)CC4CCCC4)CC3)c2)s1 739595590 KEPCNUDEKQDBCY-UHFFFAOYSA-N 449.620 5.158 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)c2cccc(N3CCOC3=O)c2)c1 741969928 RGFXGFSJXOHLEN-UHFFFAOYSA-N 431.879 5.015 30 20 IKED CC(C)(C)c1ncc(/C=C/C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)s1 742571091 VFLOVIUTJIHKIX-CMDGGOBGSA-N 441.607 5.108 30 20 IKED C[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccc(-n2cccn2)cc1 743626631 YLPMGGXHBGSPPL-KRWDZBQOSA-N 427.533 5.033 30 20 IKED Cc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)c(F)c2)cc1C 743733053 DPUWGTSSJFFBMR-UHFFFAOYSA-N 443.522 5.195 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)/C=C\c3cc(C(F)(F)F)ccc3Cl)o2)c1 744558042 AIBZYGBUGDMNMN-DAXSKMNVSA-N 433.773 5.037 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)[C@]3(Cc4ccc(Cl)cc4)C[C@H]4CC[C@H]3C4)o2)cc1 745056623 FVTLDXIYTVAKIQ-JVFUWBCBSA-N 447.922 5.354 30 20 IKED CC(=O)N(c1nc(/C=C2/CCc3cc(F)ccc3C2=O)cs1)c1ccc(F)cc1F 747440776 VEQTVNVNLQBCBJ-ZROIWOOFSA-N 428.435 5.458 30 20 IKED C=CC[C@@H](NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1)c1ccncc1 748636361 VLRBUYUXVUFABJ-FGZHOGPDSA-N 430.552 6.024 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 748649704 GFCDKRRIJYGONP-UHFFFAOYSA-N 435.552 6.102 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1C#N 752199317 FWJCTQXCXVQPOT-UHFFFAOYSA-N 440.912 5.085 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cnn(-c3ccccc3)c2C(C)C)ccc1OC 753149289 JRMXITNOYXPURV-HXUWFJFHSA-N 447.539 5.007 30 20 IKED CC(C)(C)OC(=O)N(CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)C1CC1 753540358 NNJNGIZCHSOSAX-MRXNPFEDSA-N 431.945 5.039 30 20 IKED Cc1sc([C@H](C)NC(=O)Nc2cccc(OCC#N)c2)nc1-c1ccc(Cl)cc1 755783312 OGRRWQSJXDMDFX-ZDUSSCGKSA-N 426.929 5.557 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H]3C[C@H](O)c3ccco3)c2)cc1 758576017 DOOPCGOWSNSIHK-VWNXMTODSA-N 445.519 5.045 30 20 IKED CC(C)(C)OC(=O)N1CCC(CCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)CC1 765916652 VGQYFSWOWWLPCG-MRXNPFEDSA-N 446.498 5.035 30 20 IKED CC(C)(C#N)CCCCOC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 768609476 UAVZIEPGAWCYEC-UHFFFAOYSA-N 447.329 5.100 30 20 IKED Cc1cc(CNC2CCC(Oc3ccc(C#N)cn3)CC2)cc(C)c1OCc1ccccn1 768665229 WMWUQAAIXLVOEW-UHFFFAOYSA-N 442.563 5.024 30 20 IKED CCN(Cc1cccc(NC(=O)c2ccc(F)cc2C(F)(F)F)c1)C(=O)C(F)(F)F 769175698 KEBWSYZEZCMEAE-UHFFFAOYSA-N 436.327 5.008 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnc(Cc3ccccc3F)s2)cc1 773977145 MGORIWJBJQBVJK-KXBFYZLASA-N 435.524 5.348 30 20 IKED Cc1nc(-c2ccc([C@H](C)NCC3=CC(=O)n4c(nc5ccccc54)[C@@H]3C#N)cc2)cs1 775140340 YCNZSQPKNOBNTE-MGPUTAFESA-N 439.544 5.006 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(COc2ccccc2C(F)(F)F)CC1 775721890 BDZSHDUHUOMGRH-MRXNPFEDSA-N 447.457 5.319 30 20 IKED Cc1nn(C)c(C)c1[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(F)(F)F 777564487 GXPOGLHJQROUQV-TZIWHRDSSA-N 441.457 5.118 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 780153811 YMNFRPFBTAUXMW-CQSZACIVSA-N 442.450 5.449 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(CCCC#N)C2=O)c1 784127690 VPERHPOMSBMQBK-JOCHJYFZSA-N 448.592 5.184 30 20 IKED CCN(C(=O)c1cc(NC(=O)Nc2ccccc2O[C@H](C)C#N)ccc1Cl)C(C)C 786471584 ZYGDRHKMPHLESP-OAHLLOKOSA-N 428.920 5.145 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CSc2nc(-c3ccc(F)cc3)cs2)cc1 786590218 KDDBQOHSFLLXAM-UHFFFAOYSA-N 441.553 5.387 30 20 IKED CC(/C=C\C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)=C\c1cccc([N+](=O)[O-])c1 787170766 BNUPMRYXOOROJK-KKYHCHHNSA-N 425.506 5.154 30 20 IKED C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1cc(Br)cc(F)c1OC 788847234 CCOJBDLRMVLOBM-UHFFFAOYSA-N 442.350 5.250 30 20 IKED C[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1nnc(-c2ccc(Cl)cc2Cl)o1 795981032 GYUMKVCXMKYVRQ-DZGCQCFKSA-N 430.291 5.735 30 20 IKED O=C(NOCc1ccc(C(F)(F)F)cc1)Nc1ccc(OCC(F)(F)F)c(F)c1 800569340 NJEUDTFGBPIBEC-UHFFFAOYSA-N 426.288 5.039 30 20 IKED N#Cc1ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)c(C(F)(F)F)c1 811632630 XHDRYORGZJECAH-UHFFFAOYSA-N 442.253 5.313 30 20 IKED Cc1sc2ncnc(SCCC(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)c2c1C 813214109 SUMKNQBZSWKABQ-CYBMUJFWSA-N 436.484 5.081 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 814653218 SHATXKPXDXSHLO-AVRDEDQJSA-N 436.556 5.829 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(C2CCCC2)C1=O)Nc1ccccc1F 838545471 SDBQGZKREBQYRJ-IBGZPJMESA-N 447.482 5.007 30 20 IKED O=C([C@H](F)c1ccc(C(F)(F)F)cc1)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 857483597 CXFBHGXEHKGKRZ-DLBZAZTESA-N 435.339 5.335 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)cc1 915179162 AQEREYUXPOJXNY-IBGZPJMESA-N 447.420 5.194 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1C=Nn1c(C)nc2scc(-c3ccccc3)c2c1=O 916309542 HODMRDVQVNPDFB-UHFFFAOYSA-N 439.544 5.118 30 20 IKED Cc1csc(SCc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)cc2)n1 916909133 KHLQGFWNVKAXRD-MRXNPFEDSA-N 441.965 5.358 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(OC2CCCC2)cc1 916910200 RQGGVXBLGVMMLP-QHCPKHFHSA-N 440.499 5.761 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)c(C)n1[C@H](C)c1ccccc1 916918404 ORYYISZIAAUBLI-KBMIEXCESA-N 435.527 5.829 30 20 IKED CC(C)(Oc1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996484 MZIVZYJHOCRIRC-MRXNPFEDSA-N 449.334 6.290 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(F)c(Cl)c2)cs1 917560267 KJORQJORABSBOF-UITAMQMPSA-N 435.307 6.170 30 20 IKED C=CCN(Cc1ccccc1F)Cn1nc(Nc2cccc(NC(C)=O)c2)sc1=S 918180666 BUNXQGHRJXPTLE-UHFFFAOYSA-N 443.573 5.161 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3coc4ccc5ccccc5c34)n2)cc1 920140059 ABDKGFYSYFMXDI-OAQYLSRUSA-N 433.492 6.000 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cn4ccccc4n3)cc2)CCC1 1788918151 BIGJRYWHJKNSBV-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc4sccn4c3)CCC2)cc1 1789451307 GTZFRQZPNSESRX-NRFANRHFSA-N 433.577 5.517 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3scnc3C3CC3)CCC2)cc1 1789452833 AKAJPUKXKGEDBR-HXUWFJFHSA-N 435.593 5.537 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(F)c(F)c(Cl)c4)cc3)CCC2)C1 1792159197 BAMONPBPXZPBNJ-UHFFFAOYSA-N 430.882 5.332 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2ccc(C)cc2)[C@@H]1c1cccnc1 1812741621 VBJDBYAQPRHYCU-AHWVRZQESA-N 447.623 5.021 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)c2ccc(Cl)cc2)n[nH]1 1814659620 FLPNDCGYFPNAAN-LAUBAEHRSA-N 440.975 5.053 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2CCC(F)(F)CC2)n[nH]1 1815017901 NIPKCRIYQOHDSV-GOSISDBHSA-N 436.547 5.220 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)C1 1823704776 SKUPUNQCVOAWSQ-MHZLTWQESA-N 442.603 5.553 30 20 IKED Cc1c(Cl)cccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 1823916532 SWNNVQRDRSXHMK-DEOSSOPVSA-N 449.982 5.067 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)noc2C)CC1 1825766455 MQKGYHAQJQAARX-AUSIDOKSSA-N 449.595 5.096 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCn2cccc2)CC1 1829038794 REFHSXNKZGSTIP-DEOSSOPVSA-N 441.660 5.271 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)ccc2F)CC1 1829068521 AXTTYHXPDAEJSM-QFIPXVFZSA-N 432.555 5.191 30 20 IKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](c2ccccc2)[C@@H](C)CC)CC1 1831849387 XCYGRQPJNUDUKF-GEWUYGHSSA-N 436.640 5.240 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Cl)nc2cc(Cl)ccc2c1=O 16827220 YRMSSSKJGSKECW-LBPRGKRZSA-N 434.348 5.009 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccc(OC)cc1 16865035 AELLLXVANUVDRN-OAHLLOKOSA-N 442.972 5.221 30 20 IKED C=CCn1c(SCC(=O)c2ccc(C#N)cc2)nc2scc(-c3ccccc3)c2c1=O 18352201 ZNASBTNCTRZYTD-UHFFFAOYSA-N 443.553 5.158 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2ccc(C)c(C)c2)cc1 22695586 YACDPMQHBLPMBP-UHFFFAOYSA-O 448.568 5.421 30 20 IKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccc(N(C)C)cc2)c1 22729830 ZPVRKACFFZKHCF-UHFFFAOYSA-O 438.642 5.386 30 20 IKED N#CCN(C(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccccc1 23426901 QFOUWBAPZMQMQQ-UHFFFAOYSA-N 434.521 5.146 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)[nH]c1C)=C(/S)Nc1c(C)cc(C)cc1Cl 23604684 SWTMXJMLNPRCNQ-UHFFFAOYSA-O 441.020 5.803 30 20 IKED CCOC(=O)c1ccc(C#N)c(SCC(=O)Nc2ccccc2Sc2ccccc2)n1 58558494 WELWBEBFSYXWGQ-UHFFFAOYSA-N 449.557 5.012 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)CCc1ccc(Br)cc1 63403290 SCGXNLBJSKFPRI-QGZVFWFLSA-N 426.358 5.040 30 20 IKED C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 64735421 QAVCOJKTBRIXAO-ZRCGQRJVSA-N 433.621 5.328 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccc(N2CCCCC2)cc1 116034202 XVYOSGDNTKGIAB-UHFFFAOYSA-N 427.573 5.630 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1ccccc1Cl 255939138 LUQBTDKWNKQIML-MRXNPFEDSA-N 449.963 5.433 30 20 IKED Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)[C@H](C#N)c1nc2ccccc2n1C 301759007 GETOSZWIKCDVJY-NRFANRHFSA-N 431.499 5.225 30 20 IKED CC(C)[C@@H](c1ccccc1)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 303574808 YZUQVMKSVHNTOS-DEOSSOPVSA-N 426.520 5.672 30 20 IKED Cc1c(C#N)cccc1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 432330572 CGTPIBXTPOBZLQ-UHFFFAOYSA-N 438.331 5.342 30 20 IKED N#CCCn1cc(CNCc2ccc(Oc3ccc(F)cc3)cc2)c(-c2ccncc2)n1 433311422 MEPRICSREREHJW-UHFFFAOYSA-N 427.483 5.080 30 20 IKED COC(=O)C[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)c(F)c1 434211044 FAWKZYMEULFFGZ-FZKQIMNGSA-N 449.935 5.299 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3ccccc3[C@@H]2CO)cc1Cl 434220756 PCNFONQCNXWZPF-VWNXMTODSA-N 431.923 5.119 30 20 IKED COC(=O)C[C@@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)c(F)c1 434222570 KGYPXFPRVIMEFE-FZKQIMNGSA-N 449.935 5.157 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1ccccc1 435610400 JFNPPECHYRCQDC-NJHZRGNWSA-N 432.589 5.965 30 20 IKED N#Cc1cn(Cc2nc(C3CCCCC3)cs2)c2ccc(Br)cc2c1=O 436197085 KPKYLTKOFFEYJX-UHFFFAOYSA-N 428.355 5.188 30 20 IKED O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cnn(-c2ccccc2F)c1C(F)(F)F 438474903 WURXDIXTSYCMJW-VXGBXAGGSA-N 437.359 5.129 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CCN(C)C)Cc1cccs1 438678787 LDXZNZSZMLZPNO-UHFFFAOYSA-N 434.565 5.316 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1cccc(C(F)F)c1)c1ccc(C(F)(F)F)cc1 442047120 HZPKTWAQADJDFO-QGZVFWFLSA-N 426.385 5.405 30 20 IKED O=S(=O)(Cc1c(F)cccc1F)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444214000 ORTYFFPDXSAWEW-HNNXBMFYSA-N 447.347 5.097 30 20 IKED Fc1ccc(-c2nc(CN[C@H](c3ccccc3OC(F)F)C(F)(F)F)no2)c(F)c1 444614225 YFSMZINHKKQSAT-OAHLLOKOSA-N 435.299 5.009 30 20 IKED C=CC[C@H]1N(c2nnc(-c3cccc4cccnc34)n2C[C@H]2CCOC2)CCCC1(C)C 461549068 GVMWEDMIKMMUPD-DENIHFKCSA-N 431.584 5.101 30 20 IKED CC(C)(NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nc(C(F)(F)F)cs1 465315839 MGQUQLYJERVTNL-UHFFFAOYSA-N 431.439 5.491 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H]2CCO[C@H]2c2ccccc2)cc1 466060747 BZSUNTRXKDWJIO-GJZUVCINSA-N 441.531 5.231 30 20 IKED Cc1cc([C@H](C#N)C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])nc(C)n1 467834270 ICVLFRULTIMHKR-KRWDZBQOSA-N 438.896 5.296 30 20 IKED CCNC(=O)Nc1cccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1C 469339038 SAPRWCMHBXEUSU-UHFFFAOYSA-N 448.910 5.706 30 20 IKED N#CCCCn1cc(C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)c2ccccc21 469671907 JVPARKUOYVMJOA-UHFFFAOYSA-N 437.425 5.402 30 20 IKED N#Cc1ccc(CCC(=O)Nc2cccc(CNC(=O)Nc3ccccc3Cl)c2)cc1 471114635 WHMJTQGVSFKHCQ-UHFFFAOYSA-N 432.911 5.105 30 20 IKED CSc1cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c(Cl)cc1Cl 471230488 RTLKLKHFLFIYGK-UHFFFAOYSA-N 444.343 6.335 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1 473669847 GQCFCNUAEUGVHP-UHFFFAOYSA-N 425.916 5.210 30 20 IKED CCCCn1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c(C)n1 473782335 DWSHOFLJEWTPPA-UHFFFAOYSA-N 447.486 5.182 30 20 IKED O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 482414517 NCKLZIPKJLHBRX-SNVBAGLBSA-N 444.244 5.095 30 20 IKED N#C[C@H](C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)c1nc(-c2c(F)cccc2F)cs1 484569022 YGZHKPWAJBUYNH-MRXNPFEDSA-N 433.439 5.137 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CSc2ccc(Br)cc21 488312597 VHIJCKHZDCBRRL-WBMJQRKESA-N 448.411 5.669 30 20 IKED C=CCn1c(Sc2nc(C3CC3)nc3sc4c(c23)CCCC4)nnc1-c1ccncc1 489284298 GWOLRPLNPCPQRT-UHFFFAOYSA-N 446.605 5.438 30 20 IKED C[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccc(-c2cccnc2)cc1 498607902 SBNNHPGAAAEALK-GOSISDBHSA-N 444.510 5.073 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)N[C@@H]1CCC[C@H]1OC(F)F 499825294 NLHQUHWLNLOLHI-FRRDWIJNSA-N 434.327 5.158 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc2c(c1)NC(=O)CCS2 502747784 QTIJEQCOIHYLFI-UHFFFAOYSA-N 429.501 5.346 30 20 IKED N#C[C@@H](NC(=O)c1cccc(-c2cscn2)c1)c1ccc(OCc2ccccc2)cc1 505319651 HMAMAXIPKPFCKF-HSZRJFAPSA-N 425.513 5.384 30 20 IKED COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc(-c2cccc(C#N)c2)no1 505560327 ZVLOUVYBHHDKRL-UHFFFAOYSA-N 435.443 5.017 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)N1CCC(C)(C#N)CC1 508336659 ATSMYTSGRIENTM-AWEZNQCLSA-N 447.402 5.277 30 20 IKED C[C@H](NC(=O)N(C)[C@H]1CCSc2ccc(Br)cc21)c1ccc(C#N)cc1 509228038 SUTMXQHDKWAXMZ-UGSOOPFHSA-N 430.371 5.260 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccccc3COc3ccccc3)CC2)cc1 509236073 RFYBIMHYFICPAW-UHFFFAOYSA-N 427.504 5.213 30 20 IKED C=CCN(Cc1cccs1)C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 510015945 CXVJHOYVRMRTOP-UHFFFAOYSA-N 445.338 5.184 30 20 IKED COCCN(Cc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510059051 XDWBJOYXQFWOIK-HSZRJFAPSA-N 433.939 5.676 30 20 IKED CCOc1ccc(S(=O)(=O)Nc2ccccc2Oc2ncccc2C#N)c2ccccc12 511225711 ZBNGZXALZLDQIQ-UHFFFAOYSA-N 445.500 5.098 30 20 IKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H]1CCCN(C2CCC2)C1 511246693 DJFJBSNHVXZRDH-IFMALSPDSA-N 446.595 5.106 30 20 IKED CCN(Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1)C1CC1 512140774 RQCZYJYYLALBKA-UHFFFAOYSA-N 425.532 5.896 30 20 IKED Cc1nc(Cc2ccccc2)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 512498105 GANJKAUATYNTAQ-IBGZPJMESA-N 440.553 5.528 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc12 513671921 MYENVNMLGPMXJC-MRXNPFEDSA-N 448.960 6.149 30 20 IKED CCN(Cc1c(F)cccc1F)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 513862870 AMRIXPDLEXKQCT-UHFFFAOYSA-N 437.446 5.691 30 20 IKED CC(C)CCn1ncc(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1C(C)C 515561240 GCVDSAAIWIWWOT-UHFFFAOYSA-N 432.528 5.756 30 20 IKED CN(Cc1nc(-c2cccs2)no1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 517193975 CLEYSASKWRIACF-UHFFFAOYSA-N 431.477 5.126 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)cc2)nc1 517656046 MOPGLVOOBBJKLA-UHFFFAOYSA-N 432.439 5.662 30 20 IKED N#C[C@@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(Cl)cc2)CCC3)CCO1 517985027 DUQAAFOMMJUBRO-WORNYLJVSA-N 443.934 5.130 30 20 IKED Cc1nnc(Sc2ccc(NC(=O)CCCCOc3cccc(C#N)c3)c(C)c2)s1 520328917 PUXSKVXVTARDST-UHFFFAOYSA-N 438.578 5.366 30 20 IKED Cc1nc(-c2c[nH]c(C(=O)N(Cc3cccc(C#N)c3)c3ccc(F)cc3C)c2)cs1 520357893 RJNANFACRGBWNT-UHFFFAOYSA-N 430.508 5.613 30 20 IKED C=CCn1c(SCc2nc(-c3ccoc3)no2)nc2cc(-c3ccccc3)sc2c1=O 520637025 PRZRKUSYBVOFNV-UHFFFAOYSA-N 448.529 5.246 30 20 IKED Cc1cc(NC(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)n(CCC#N)n1 521008259 ZJKNKLFPDURQID-UHFFFAOYSA-N 445.375 5.957 30 20 IKED C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1C 523077077 CMRRERQYNZNUJP-UHFFFAOYSA-N 437.590 5.064 30 20 IKED CC(C)C(=O)Nc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 523879550 RKKYOZJXJOHPHQ-UHFFFAOYSA-N 433.895 5.851 30 20 IKED COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1 525336000 FOUOWHFZHFUUDJ-FQEVSTJZSA-N 445.519 5.088 30 20 IKED C=CCn1c(SCc2csc([C@@H](C)OCC)n2)nc2sc3c(c2c1=O)CCCC3 525624714 POFBPGLJLQXWHC-CYBMUJFWSA-N 447.651 5.369 30 20 IKED COc1cccc(-c2nc(C)c(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)[nH]2)c1 535147879 SCNJQKVMGLRWTQ-UHFFFAOYSA-N 439.475 5.013 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)[C@H](OC3CCOCC3)c3ccccc3)cc2)c1 535388930 XKNAZFZNCCOCHT-RUZDIDTESA-N 428.488 5.226 30 20 IKED CC(C)Cn1ncc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1C(F)F 535446270 MBVIEELJBRUWRH-UHFFFAOYSA-N 426.492 5.428 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 538262826 JUXNPXBVYRUWJR-VWNXMTODSA-N 448.975 5.764 30 20 IKED COc1ccc2ccccc2c1CN(C(=O)Nc1cc(C)n(CCC#N)n1)C1CCCC1 539719553 PPFIDBMAHNWOIE-UHFFFAOYSA-N 431.540 5.244 30 20 IKED Cc1cc(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(C)n1Cc1ccccn1 542062653 ZBQXYYYVISPCQO-HXUWFJFHSA-N 434.543 5.578 30 20 IKED C[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H](C)c1ccccc1C(F)(F)F 542561818 JSJZSRLEEJICLY-IKGGRYGDSA-N 449.542 5.677 30 20 IKED C[C@H](NCc1nc(-c2cc(F)c(F)c(F)c2)no1)c1ccc(-c2cccc(C#N)c2)cc1 543874863 UMSNRCHHMGIULO-AWEZNQCLSA-N 434.421 5.543 30 20 IKED CC(C)(C)c1noc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1 543980621 JLDCAVHUMBKQMJ-LBPRGKRZSA-N 449.317 5.798 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1cnn(CCC(F)(F)F)c1 544047688 GEAABADHUJBAHA-UHFFFAOYSA-N 449.273 5.048 30 20 IKED N#Cc1cccc(-c2nnc(N3CCC[C@@H](Nc4ccccc4)C3)n2Cc2cccs2)c1 555438603 QNGKVJWTWFFOGV-JOCHJYFZSA-N 440.576 5.007 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@@H](c4cccc(F)c4)C3)cc2F)c1 557097321 KXPNCJKOAXKAFK-HXUWFJFHSA-N 433.458 5.437 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@H](CC(F)(F)F)C1 558982653 XAKPAIDYINXJAB-IRXDYDNUSA-N 438.494 5.172 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)CSCc1cc(-c2cccs2)on1 562295012 JOXZLXYRNITREH-UHFFFAOYSA-N 445.569 5.741 30 20 IKED CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@H](CCCC#N)c1ccccc1 567928226 IGQMILITUAOYQG-LJQANCHMSA-N 442.357 5.062 30 20 IKED C=CCn1c(Cc2ccc3ccccc3c2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 570887628 GPOVPFFONYASNO-GTJUCTONSA-N 444.604 5.143 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1 572086705 MLKRYTJSHPETFZ-FQEVSTJZSA-N 439.519 5.110 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(Br)cc1F 572320089 PJWLCLBUCPOUSA-CHWSQXEVSA-N 436.350 5.865 30 20 IKED COc1ccccc1[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccco1 573847091 AKMSQPFMNBIXKM-DEOSSOPVSA-N 440.459 5.258 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)c1 589805921 TYFJRVXBBTWFMU-NRFANRHFSA-N 440.952 5.201 30 20 IKED COc1ccc(CN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H](C)C2CC2)cc1 595803151 IABXYQKKVTXEBX-KRWDZBQOSA-N 430.470 5.076 30 20 IKED CCCOc1c(Br)cc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1OC 603527690 WWIPOKJEPKCDTK-UHFFFAOYSA-N 445.357 5.169 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)COc1ccc(F)cc1Br 603969472 ZMJFEWPMWGBEIV-UHFFFAOYSA-N 431.286 5.206 30 20 IKED CCCN(Cc1ccccc1F)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604500566 SSTUOOZZGPBXCO-UHFFFAOYSA-N 431.511 5.915 30 20 IKED COc1ccc(CNC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1OCCCC#N 604512455 UWSILNRMEGAMME-GJZGRUSLSA-N 438.412 5.377 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4nc5cccc(C)c5[nH]4)cc3)o2)c1 605363325 URVRBMGILLCODC-FQEVSTJZSA-N 433.471 5.387 30 20 IKED COc1ccc(Cl)cc1NCC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609072323 IRIASJJMSXGFNH-UHFFFAOYSA-N 435.911 5.158 30 20 IKED Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609104524 ZRXCTGUZOTYELP-UHFFFAOYSA-N 429.426 5.524 30 20 IKED Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccccc1SC[C@H](C)C#N 609376762 JIZHRMVJEAIVBB-CQSZACIVSA-N 438.578 5.483 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 609427654 XXTYSCHXUMWXJW-KGLIPLIRSA-N 448.375 5.379 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NC3CCC(c4ccccc4)CC3)cc2)c1 609436975 ZXKZNTIAMHDGDI-UHFFFAOYSA-N 439.515 5.132 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1 609508695 YVZYELYCXSBIJP-UHFFFAOYSA-N 445.588 5.348 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(COC2CCOCC2)c1 609555736 CTAFKPDMYUXUBN-SFHVURJKSA-N 439.581 5.098 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N(CCc2ccc(F)cc2)C2CC2)cc1 609744164 LFTFFUOFKKQVTE-UHFFFAOYSA-N 443.522 5.710 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 609844643 OHBXQOMOHHFQKM-FQEVSTJZSA-N 431.496 5.155 30 20 IKED N#C[C@@H](C(=O)c1ccccc1SCC(=O)NCC1CCCCC1)c1nc2ccccc2o1 614439754 GZFRADOHAFLGHF-IBGZPJMESA-N 447.560 5.106 30 20 IKED COc1cccc(CN(C)C(=O)N[C@@H](C)c2cccc(C#N)c2)c1OCc1ccccc1F 619759142 ONLWYCVKXLXBDW-SFHVURJKSA-N 447.510 5.188 30 20 IKED N#C[C@@H](C(=O)c1ccccc1NC(=O)c1ccccc1)c1nc2ccccc2n1C(F)F 642282470 UPVXCORLBGRQGV-KRWDZBQOSA-N 430.414 5.174 30 20 IKED CC1(C)C(=O)Nc2cc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)ccc21 645955542 FPRDZBNSFGYNLG-LBPRGKRZSA-N 429.423 5.035 30 20 IKED O=C(N[C@@H]1CC[C@](O)(C(F)(F)F)C1)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 646694515 GWCVMBNARMIKNA-RDTXWAMCSA-N 435.339 5.087 30 20 IKED C=C(C)Cn1c(-c2ccccc2OC)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 670227879 QKIMPKCBLRKGRS-URXFXBBRSA-N 432.568 5.134 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2ccc(F)cc2F)CCCC1 677658595 PRTCODVMLPLCSH-VXGBXAGGSA-N 443.378 5.802 30 20 IKED CC(C)[C@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)c1ccc(Cl)cc1F 679765777 QVZUAYKVXSLRQH-BZPMIXESSA-N 434.783 5.558 30 20 IKED Cc1ccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)N=C2SC[C@@H](C#N)CCC#N)cc1 726798190 ZRLONIAEPDKEBY-MNQDVBFDSA-N 442.588 6.039 30 20 IKED O=C(/C(=C\c1ccc(N2CCOCC2)c(F)c1)c1nc2ccccc2s1)c1ccccc1 727264075 LWUVYNWFESHLGX-CAPFRKAQSA-N 444.531 5.696 30 20 IKED Cc1cccc(COc2ccc([C@@H](C)NC(=O)NCc3ccc(OCC#N)cc3)cc2)c1 727844748 KMZMNMIFFCPLHA-HXUWFJFHSA-N 429.520 5.037 30 20 IKED CCCNC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cc1Cl 728269623 RQGXNAHSHAOETC-UHFFFAOYSA-N 434.927 5.011 30 20 IKED O=C(COc1ccc(C(=O)/C=C\c2csc(-c3cccs3)n2)cc1)Nc1ccccc1 728439386 JBQXQPORZHDXIM-RAXLEYEMSA-N 446.553 5.785 30 20 IKED C[C@H](OC(=O)c1cc2ccccc2n1CC#N)C(=O)Nc1ccccc1Oc1ccccc1 729769177 SVNZPEODADHRFU-SFHVURJKSA-N 439.471 5.141 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)NCc3cccc(O[C@@H](C#N)CC)c3)c12 733770604 FITNWYOSYOSSIT-QGZVFWFLSA-N 444.491 5.046 30 20 IKED C[C@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nc2ccc(Cl)cc2[nH]1 734327131 RWGKZGWYHPSELP-HNNXBMFYSA-N 430.895 5.158 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)CSCc1cc(Cl)ccc1OCC#N 735320252 OIJIAUZQLXDRPZ-UHFFFAOYSA-N 425.337 5.085 30 20 IKED CCOCCOc1ccc(Br)cc1/C=C\C(=O)c1c(Cl)nc2ccccn12 737445599 BDMLQLQBUWLBGF-VURMDHGXSA-N 449.732 5.062 30 20 IKED N#CCN(Cn1nc(-c2ccccc2)n(-c2ccc(F)cc2F)c1=S)C1CCCC1 738256759 URMHHUZJLCXYFE-UHFFFAOYSA-N 425.508 5.074 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Nc3cc4c(cc3Cl)OCCCO4)c2)s1 740434640 KQTPMWZSUNJQNE-UHFFFAOYSA-N 439.924 5.423 30 20 IKED CC[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ncc(-c2ccccc2)[nH]1 740482823 DVTDHBSLXZKOBS-NRFANRHFSA-N 441.560 5.627 30 20 IKED CC(C)C(=O)c1ccc(S(=O)(=O)O[C@H](Cc2ccc(Cl)cc2)C(F)(F)F)cc1 742296062 BEZYTGOYTRQSDQ-QGZVFWFLSA-N 434.863 5.058 30 20 IKED C=CCN(CCc1ccccc1)Cn1nc(-c2cccs2)n(C[C@@H]2CCCO2)c1=S 744153766 FKWLUCSBNAMEHR-FQEVSTJZSA-N 440.638 5.010 30 20 IKED C=CCn1c(-c2ccco2)nn(CN2CCC(Oc3ccccc3Cl)CC2)c1=S 753972556 PXEIHTBHQNFPNS-UHFFFAOYSA-N 430.961 5.014 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1C)c1ccccc1 754499020 LKPISIAYLVWUFH-FQEVSTJZSA-N 437.540 5.104 30 20 IKED N#CC1CCC(COC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)CC1 755975948 ZNSUIRRFYTYIDZ-WVXCJSOBSA-N 430.548 5.040 30 20 IKED C[C@@H](c1ccccn1)N(C(=O)CSCc1ccc(C#N)cc1)c1ccc(N(C)C)cc1 766588244 VBSVWBLRYTVBHL-IBGZPJMESA-N 430.577 5.047 30 20 IKED O=C(/C=C\c1ncc(-c2ccccc2)s1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 770571582 FTJSWNQYBMCBIA-KHPPLWFESA-N 437.464 5.042 30 20 IKED COC(=O)C[C@@H](NC(=O)Nc1ccccc1O[C@H](C)C#N)c1ccc(-c2ccccc2)cc1 771190713 JUZVDGRFDWVXJS-WZONZLPQSA-N 443.503 5.070 30 20 IKED CC(C)Oc1ccc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)cc1C#N 772458486 SCOFJQPUIGKZIL-JOCHJYFZSA-N 435.549 5.175 30 20 IKED O=C(/C=C/c1ccc(Cl)nc1)C(c1nc2ccccc2s1)c1nc2ccccc2s1 772636133 CDOIXCXZLTZVTQ-PKNBQFBNSA-N 447.972 6.369 30 20 IKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)csc1Br 773980637 UCRCYTOAMHDSMS-VIFPVBQESA-N 432.126 5.087 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)cc1 774320841 MMVSEZCUYVUOAA-GGAORHGYSA-N 431.561 5.084 30 20 IKED CC(C)Oc1ccc(-c2nc(C(=O)O[C@@H](C#N)Cc3ccc(F)cc3F)cs2)cc1 774332753 CWDRHUSDWMQOGK-GOSISDBHSA-N 428.460 5.167 30 20 IKED C[C@@H](C#N)Oc1ccccc1N[C@H](C)c1nc2cc(Cl)ccc2n1Cc1ccccc1 779712592 JUQXOSFMQKMBJR-ZWKOTPCHSA-N 430.939 6.202 30 20 IKED C[C@@H]1C(=O)CC[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1(C)C 781446940 AKOGJWXDBAUMPL-BYCMXARLSA-N 435.376 5.935 30 20 IKED C=CCNC(=S)/C(=C(/O)c1cccc(C(F)(F)F)c1)[n+]1ccc(C(CC)CC)cc1 783688434 WLXGKWCXFWHISL-UHFFFAOYSA-O 435.535 5.883 30 20 IKED C[C@@H](OC(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1)C(=O)Nc1ccccc1C#N 785875732 KIDDMKQQZIAIFC-OPAMFIHVSA-N 434.492 5.101 30 20 IKED C/C=C(/CC)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 789406606 ZHEQCKJOJZXNAQ-UTCJRWHESA-N 428.213 5.328 30 20 IKED Cc1nc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)sc1-c1ccccc1 796623271 GYMFFHQGHUJJST-UHFFFAOYSA-N 436.512 5.205 30 20 IKED CC1CCN(c2ccc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)cc2[N+](=O)[O-])CC1 797572716 GXTLLSWVTDBELL-INIZCTEOSA-N 426.542 5.075 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cnccc1Oc1ccccc1 800272018 ZFFKSXYSGLTHKT-KRWDZBQOSA-N 447.516 5.064 30 20 IKED N#Cc1sc(N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)nc1Cl 804443936 MHEBDTKJUJLVCV-SFHVURJKSA-N 444.004 5.361 30 20 IKED N#CCSCCCOC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(O)cc1)CC2 805325652 ZWUFTDUCUUNVRT-FBMGVBCBSA-N 430.529 5.231 30 20 IKED C#C[C@@H](NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)c1ccc(Cl)cc1F 805777841 MZRMEUXIXHUMFE-IAQYHMDHSA-N 445.869 5.218 30 20 IKED C=CCn1c(SCC(=O)OCc2oc(C(C)C)nc2C)nnc1-c1ccc(Cl)cc1 813321366 PQPIOVOYINLZHY-UHFFFAOYSA-N 446.960 5.040 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2(Cc3cccc(F)c3)CCOCC2)cc1 814493363 MTMIEOPFYKHDKM-RUZDIDTESA-N 428.507 5.459 30 20 IKED N#Cc1c(COC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cn2ccccc12 818110161 JRJNOBQIDKXBHD-UHFFFAOYSA-N 440.286 5.449 30 20 IKED CC(=NOCC(=O)Nc1ccc(-c2ccccc2)cc1)c1nc2ccccc2n1C(F)F 836976315 BMFYCQGIIIFTLD-UHFFFAOYSA-N 434.446 5.478 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 875068247 KWQSEKGRBSNEIW-UHFFFAOYSA-N 434.521 5.205 30 20 IKED Cc1ccc(N2C(=O)CC[C@H](C(=O)N[C@@H](C)c3ccc(C#N)cc3)[C@@H]2c2cccs2)cc1 914485885 YIHMDRKYENJELV-KDSXSNECSA-N 443.572 5.290 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCC[C@H]2c2cccs2)c1=S 915840021 PYFLZFBONKGBOS-SFHVURJKSA-N 447.029 5.689 30 20 IKED N#Cc1ccccc1NC(=S)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 915997383 IELOYFJSMKVHHX-RMKNXTFCSA-N 427.529 5.246 30 20 IKED O=C(/C=C\c1c(Cl)nc2sccn12)c1ccc(Br)cc1Br 916140355 OFWBKSMBTMRVPV-ARJAWSKDSA-N 446.551 5.470 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cc(C)n(C2CCCCC2)c1C 916903352 RIALVAUPVCBXFW-IBGZPJMESA-N 441.959 5.542 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCc1ncc(-c2ccc(C)cc2)o1 916903408 NQIFBGIDWLSIAT-OAQYLSRUSA-N 429.520 5.055 30 20 IKED CC(=O)Nc1ccc(S[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 916977106 JPKGECOWHOOHAL-QRWLVFNGSA-N 435.574 5.434 30 20 IKED N#C[C@H](C(=O)CCCOc1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ccc2s1 917042805 GJFPIPPRXXXAFG-OAHLLOKOSA-N 438.858 6.004 30 20 IKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1)c1nc(-c2ccccc2)cs1 917429060 HSUMNHDPKBQMKO-ZWKOTPCHSA-N 448.523 5.070 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1nc(NCc2ccco2)ncc1Cl 917716700 UKKINWNGCJRZNG-UHFFFAOYSA-N 435.896 5.188 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](OC)c3ccccc3)cc2)CCC1 1787714842 KCWRHLMODXGZEC-DNQXCXABSA-N 432.564 5.277 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3ccncc3-c3cccc(C)c3)cc2)CCC1 1788359032 PGKRLHPUBDRLSP-UHFFFAOYSA-N 437.543 5.218 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3nccc4[nH]ccc34)cc2)CCC1 1788465286 ZGYKOZWDYHNMSU-FQEVSTJZSA-N 428.536 5.079 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cnccc4[nH]3)CCC2)cc1 1789453637 DBUVOBQDRAECLB-OAQYLSRUSA-N 428.536 5.079 30 20 IKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CC4CC4)CCC3)cc2)cc(C(F)(F)F)c1 1790784987 JCZRUTWGGQBIPB-UHFFFAOYSA-N 441.453 5.125 30 20 IKED Cc1ccc(S/C=C/C(=O)NC2(c3ccc(NC(=O)[C@@H](C)S)cc3)CCC2)cc1 1791575140 IBOFUDTYAORKOC-OKACTXMXSA-N 426.607 5.053 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3c(C)oc4cc(O)ccc34)CCC2)cc1 1791727331 DYCSWOGHPAJFKX-UHFFFAOYSA-N 444.531 5.388 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(C)s3)cc2)CCC1 1791835060 GJOOFQMOBCPAKX-HHNLSAEISA-N 439.581 5.005 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccccc3NC(C)=O)cc2)CCC1 1792133146 VTTHLGUJLHDTGG-QFIPXVFZSA-N 445.563 5.161 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccccc3Cl)C2)CC1 1809224197 UWDQZAALVDYTTF-UHFFFAOYSA-N 431.020 5.106 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)cnc2Cl)n[nH]1 1816622038 XCEQDVMQOXMRKE-SFHVURJKSA-N 443.979 5.065 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ccncc23)[nH]n1 1819309230 PFUNVKRBLZLCPM-CVDCTZTESA-N 443.551 5.032 30 20 IKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(Cl)c2)CC1)C(F)(F)F 1832608994 ATRVUAFXOOQNIE-IBGZPJMESA-N 442.909 5.000 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(OC)c2F)CC1 1832748468 WKRBVHMZTASQDO-NRFANRHFSA-N 444.591 5.060 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10760518 LFZITRHHAKUTOZ-UHFFFAOYSA-O 449.905 5.658 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)NCCc2ccccc2)[n+]2ccc3c(c2)CCCC3)cc1C 22735212 CFLPRLWEDBICCA-UHFFFAOYSA-O 443.636 5.241 30 20 IKED Cc1c(C#N)c(S[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nc2c1CCC2 24851529 JBHLQSTVWRKGBO-JTQLQIEISA-N 440.783 5.830 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c23)cc1 25838124 RLTVGEHDURJUPX-UHFFFAOYSA-N 444.585 5.890 30 20 IKED C=CCn1c(SCc2coc(-c3cccc(Cl)c3)n2)nnc1-c1ccccc1OC 28964677 JAFYUZLRIJTZJW-UHFFFAOYSA-N 438.940 5.740 30 20 IKED C=CCn1c(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)nnc1-c1ccco1 29547615 NASKWCOQSAHHKP-UHFFFAOYSA-N 442.850 5.127 30 20 IKED O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1cccc(N2CCOC2=O)c1 60097778 URVJABSKMBDYRB-VAWYXSNFSA-N 441.512 5.454 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1c(-n2cccc2)sc2c1CCSC2 62887709 VBVMEKVMBIKJFB-UHFFFAOYSA-N 439.562 5.065 30 20 IKED CCCOc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 63781891 KZCOGWFOIKDEJJ-UHFFFAOYSA-N 445.544 5.330 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1 65369674 FORFJLWFBXUILX-DEOSSOPVSA-N 445.494 5.703 30 20 IKED CCc1c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cnn1CCC(C)C 427426744 DBGIQUOPUSTKJV-UHFFFAOYSA-N 432.593 5.908 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 429209833 VXWUYTOXUDNNAQ-DNQXCXABSA-N 430.552 5.509 30 20 IKED N#C[C@@H](C(=O)c1ccnn1CC(F)F)c1nc(-c2ccc(Cl)cc2Cl)cs1 434623811 DTNNUVOFJRDQQQ-NSHDSACASA-N 427.263 5.069 30 20 IKED CC(C)CC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1F 437497261 RGSOIDCFGIMWDB-UHFFFAOYSA-N 449.457 5.866 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1cccc(CC(F)(F)F)c1 437961130 HQDHEOWXRBZPEV-UHFFFAOYSA-N 439.437 6.195 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O 438054484 HZTJJLBGOCIZLM-YJBOKZPZSA-N 442.972 5.051 30 20 IKED CN(c1ccccc1)C1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 438657839 XYPTVEHMLUNHOJ-UHFFFAOYSA-N 426.520 5.483 30 20 IKED CN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(C(F)(F)F)cc1Cl 439123569 LFMOEAMCCIDBPC-UHFFFAOYSA-N 434.801 5.679 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CC[C@H]4CCC[C@@H]4C3)cc2Cl)cc1 442379642 KGCAXQPLCOPBPT-KZNAEPCWSA-N 437.927 5.027 30 20 IKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(CN2CCCC(C)(C)[C@H]2C#N)cs1 444731892 PBEJICDEBXVYAA-GOSISDBHSA-N 437.396 5.649 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N(Cc2ccc(F)cc2)CC(F)(F)F)o1 460447566 FWHSAMIDROGBGP-UHFFFAOYSA-N 432.373 5.074 30 20 IKED N#CCCSc1ccccc1NS(=O)(=O)c1ccc(OCC(F)F)c2ccccc12 460820473 AETHZFPCLYNEJH-UHFFFAOYSA-N 448.516 5.290 30 20 IKED COc1cc(CNC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)ccc1C#N 462475533 PVLIFLBPPMGKGF-OAQYLSRUSA-N 444.535 5.392 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccc(Cl)c2ccccc12 462970971 YASIWGDYDJWRDK-HNNXBMFYSA-N 437.952 5.315 30 20 IKED COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 466051783 NGDXARWGJAOEND-BDYUSTAISA-N 443.522 5.148 30 20 IKED O=C(Nc1cnn(CC(F)F)c1)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F 467707865 WDSGFWOIKRYDGA-UHFFFAOYSA-N 448.339 5.465 30 20 IKED Cc1nc2ccc(Br)cn2c1C(=O)Nc1ccccc1S[C@H](C)CC#N 475776493 WEXZIYPFXRLQKV-GFCCVEGCSA-N 429.343 5.052 30 20 IKED N#CC1(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)c(Cl)c2)CCOCC1 476051072 MALIPDJLQQBBRD-UHFFFAOYSA-N 425.699 5.242 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)cc1 477702852 MJPICFFPEMUUMF-UHFFFAOYSA-N 433.480 5.572 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCc2c(cnn2-c2ccccc2)C1 479227357 TWWSKIUYWSJGAT-UHFFFAOYSA-N 436.540 5.094 30 20 IKED CN(C(=O)c1ccc(NC(=O)CSc2cccs2)cc1)c1cc(Cl)ccc1C#N 479563564 CYWKSCFFTTYEND-UHFFFAOYSA-N 441.965 5.281 30 20 IKED N#CCCCOc1cccnc1NC(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 480012640 AOGXCNHDIKGNIR-PKTZIBPZSA-N 427.504 5.085 30 20 IKED O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)N[C@@H](c1ccc(F)cc1)C(F)(F)F 486958486 TYSWLEJVZACGLP-ZDUSSCGKSA-N 448.298 5.320 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCc2ncc(-c3ccccc3)o2)cc1 488013008 FKAWSMHJGKFNAM-UHFFFAOYSA-N 439.490 5.514 30 20 IKED COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1OCCCC#N 493886922 YXEYXUXAXPGKDD-RUZDIDTESA-N 427.504 5.144 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1 495504544 VAERZUQEVHYKNS-OAHLLOKOSA-N 441.528 5.056 30 20 IKED N#C[C@@H](NC(=O)c1cc(-c2ccccc2)ccc1Cl)c1ccc(Br)cc1 499414827 BWTFPVLBAOYTMF-HXUWFJFHSA-N 425.713 5.764 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)CCCc1nc2ccccc2[nH]1 502329661 ATAKSGRXHFUYTJ-UHFFFAOYSA-N 430.321 5.002 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1nn(-c2ccc(F)cc2)cc1C 509512660 VVVWWXAEHCDKRB-UHFFFAOYSA-N 440.478 5.331 30 20 IKED CCOc1ccc(C2=CCN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CC2)cc1 509609577 RNMGXMZGRLLXBE-UHFFFAOYSA-N 425.488 5.074 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@@H](C[C@@H]3CCOC3)c3ccccc3)cc2)cc1 512195121 JCIWPFDWBAWKAU-LVXARBLLSA-N 426.516 5.443 30 20 IKED C=CCN(C(=O)c1cnn(-c2ccccc2)c1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514868312 AMIVANIJTPSVNW-UHFFFAOYSA-N 445.504 5.045 30 20 IKED C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 516841937 YIIZPRMKZIFCSD-SFHVURJKSA-N 444.556 5.330 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3ccccc3C(F)(F)F)c2)c1 519913208 MUERJIUENIDOBZ-UHFFFAOYSA-N 438.409 5.151 30 20 IKED C[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1nc(C(C)(C)C)cs1 520746501 AUTITNLDHJDEES-LLVKDONJSA-N 426.464 5.136 30 20 IKED COc1cc(C[S@@](=O)Cc2cc(C)sc2C)ccc1OCc1cccc(C#N)c1 522663765 YJIKVYFUAIFKDH-GDLZYMKVSA-N 425.575 5.273 30 20 IKED COc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(Br)c1 524715411 QAPPTFMMTULIRG-UHFFFAOYSA-N 441.256 5.513 30 20 IKED CC(=O)c1ccc(Oc2ccc(C(=O)N(CCC#N)c3ccc4c(c3)OCCO4)cc2)cc1 536316920 ZWHPZTUMJUTPPZ-UHFFFAOYSA-N 442.471 5.013 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)c3ccccc3SCc3cccs3)n2)c(F)c1 541071578 FHEFEJPLAPQXFE-UHFFFAOYSA-N 434.521 5.489 30 20 IKED C[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)Nc1ccccc1Br 541074236 PCVPSRHAMSNKPO-SNVBAGLBSA-N 429.261 5.459 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(CN(C)Cc2ccccc2)c1 541283750 OGHIWKZHKCNREB-FQEVSTJZSA-N 429.589 5.823 30 20 IKED C[C@H](NC(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1ccc(-c2cccc(C#N)c2)cc1 542080661 JGLPREPPLYJAOM-YZYNAAERSA-N 425.532 5.363 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1sc(C)nc1C(F)(F)F 544678899 NIIKLORRYSPSFG-UHFFFAOYSA-N 444.479 5.258 30 20 IKED C=C(C)Cn1c(SCc2nc(-c3cc(Cl)ccc3C)no2)nnc1-c1ccco1 545696534 UIWUVXTWHXBSIO-UHFFFAOYSA-N 427.917 5.418 30 20 IKED CC(C)(CNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)C(F)(F)F 548890581 JJVIEZBIICJKOX-UHFFFAOYSA-N 447.301 5.228 30 20 IKED C=CCC[C@@H](NC(=O)Nc1nnn(Cc2ccc(C(F)(F)F)cc2)c1C)c1ccccc1 549315825 KWZWTBYETALYOF-HXUWFJFHSA-N 443.473 5.483 30 20 IKED C=CCC[C@H](NC(=O)C(=O)N[C@@H](c1cccs1)C1CC1)c1ccc(C(F)(F)F)cc1 563508394 CNRGQLJVVFDNCK-PKOBYXMFSA-N 436.499 5.158 30 20 IKED CCO[C@@H](c1noc(-c2ccc(C#N)c(Cl)c2)n1)c1ccc(F)cc1C(F)(F)F 574675760 HPWGBBVRWOWJBF-MRXNPFEDSA-N 425.769 5.545 30 20 IKED C[C@@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 580111134 UWTUXEJFBIIYCJ-UPCLLVRISA-N 431.467 5.114 30 20 IKED C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@H]1c1nc2ccccc2s1 584081668 GKOQNIPEBCCIBS-FQEVSTJZSA-N 431.565 5.132 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CC[C@@H](Sc4cccc(Cl)c4)C3)cc2)nc1 584164092 FAEWMIOYDMUBTL-OAQYLSRUSA-N 435.936 5.406 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@H]3CC[C@@H](c4ccccc4)O3)c2)cc1 589321851 BFTJMGOIEBOFIG-FTJBHMTQSA-N 441.531 5.373 30 20 IKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3ccc4ccccc4n3)cc(-c3ccccc3)nc21 591862547 VBOKVXXGIYEKDI-OAQYLSRUSA-N 431.499 5.717 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 603532604 GDKCTDSHOMCMGL-UHFFFAOYSA-N 443.453 5.657 30 20 IKED CC[C@@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cn2ccccc2c1C#N 603661700 PKKOWELLIRTHCR-MRXNPFEDSA-N 428.458 5.069 30 20 IKED Cc1sc(NC(=O)Cc2csc(-c3cc(Br)cs3)n2)c(C#N)c1C 603948009 WVCOVPWHSQXIQF-UHFFFAOYSA-N 438.397 5.365 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccccc2N2CCCC2)cc1 604363000 FTSJBMJXWMNDED-UHFFFAOYSA-N 440.547 5.254 30 20 IKED CCCCN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@@H](C)c1ccccc1 604507431 VPZZLVGHBNXPDT-IBGZPJMESA-N 442.519 5.074 30 20 IKED CCc1cc(C#N)c(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)s1 609020234 OBCRXMWRDIWUQS-UHFFFAOYSA-N 432.480 5.654 30 20 IKED CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609209789 MNJUUQUUORQGJU-UHFFFAOYSA-N 432.499 5.085 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCCOc1cccc(F)c1 609381648 DVVIFWLUAKZSJG-UHFFFAOYSA-N 426.435 5.648 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)Cc2csc(-c3ccc(Cl)s3)n2)cc1 609413529 PQPAGNHZKSDYTL-UHFFFAOYSA-N 431.970 5.413 30 20 IKED CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C(C)C)cc1 609436297 YTLCQGLFDWLPJL-FDDCHVKYSA-N 437.609 5.656 30 20 IKED CC(C)N(Cc1ccc(Br)cc1)C(=O)CCCCOc1cccc(C#N)c1 609499755 ZJGJYWXYKGUUIC-UHFFFAOYSA-N 429.358 5.307 30 20 IKED COC(=O)c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1Cl 609822257 GWPXQQKNWYBAFQ-UHFFFAOYSA-N 436.920 5.543 30 20 IKED C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)C[C@H](c2ccc(F)cc2)O1 610205620 OOPVQJKLMONPJF-VGOFRKELSA-N 432.520 5.451 30 20 IKED Cc1nn(C)cc1[C@@H]1CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 610730436 PICOYJVXLSBSGN-QFIPXVFZSA-N 449.942 5.202 30 20 IKED N#C[C@@H](C(=O)c1ccc(COc2ccc(Br)cc2)o1)c1ccc2ccccc2n1 613292535 NZWSDELFWIDOTR-LJQANCHMSA-N 447.288 5.659 30 20 IKED CC1(c2ccc(Br)cc2)CCN(C(=O)c2cc3ccccc3n2CC#N)CC1 619660445 QDOAYPNVWRYCOT-UHFFFAOYSA-N 436.353 5.121 30 20 IKED N#Cc1ccc(CNC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1Cl 619768392 YRZXYZHPIKNMQK-UHFFFAOYSA-N 433.920 5.575 30 20 IKED O=C(NCCc1c[nH]c2cc(F)ccc12)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 622943405 SRFWEEWHCILDDL-RYUDHWBXSA-N 439.375 5.058 30 20 IKED Cc1[nH]nc(C(F)(F)F)c1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 673742754 UKFAWYYEFRMQLK-UHFFFAOYSA-N 448.298 5.334 30 20 IKED O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674624359 YRLXDRSGYYBIIA-MELADBBJSA-N 446.338 5.048 30 20 IKED O=C(Nc1cccc(O)c1F)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 677801619 XRTCMLDRTQCDEG-UHFFFAOYSA-N 433.283 5.007 30 20 IKED COc1ccc2cc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c(C)nc2c1 678322382 APFYCTNHGMFXBX-INIZCTEOSA-N 441.434 5.670 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)/C=C\c3cc(OC)c(OC)c(OC)c3)s2)cc1 727974428 JTAHEDBUFPOCSB-WDZFZDKYSA-N 425.506 5.049 30 20 IKED N#Cc1cccc(COc2ccc(NCC(=O)Nc3ccc(Cl)cc3Cl)cc2F)c1 728200597 KXLCQTRFBXTYID-UHFFFAOYSA-N 444.293 5.634 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c2)cc1 728466564 VJOCEEULAWWMNV-MHZLTWQESA-N 429.479 6.258 30 20 IKED C#Cc1ccc(C(=O)Nc2nc(C3CC3)c(Cc3cccc(C(F)(F)F)c3)s2)cn1 728821369 NXBSLAHNNSCDPG-UHFFFAOYSA-N 427.451 5.259 30 20 IKED C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(-c2ccco2)nn(CN(CCC#N)CC2CC2)c1=S 728904460 GJZFQFJSFKUCRP-LEAZDLGRSA-N 425.602 5.254 30 20 IKED Cc1ccc2c(Cl)c(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)sc2c1 729728970 IEPLALCBRNPUNO-LLVKDONJSA-N 444.965 5.469 30 20 IKED N#C[C@@H](C(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)c1ccc2ccccc2n1 730687388 VUSMXHLUBVVVAI-CLOONOSVSA-N 430.866 6.024 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1 731646182 ZEPNHPVFNKNZSY-GOSISDBHSA-N 434.323 5.264 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F 735575858 XBHFSYPBTGICQT-UHFFFAOYSA-N 426.492 5.488 30 20 IKED CC(C)(C)c1ccc(N=C2NC(=O)[C@@H](CC(=O)Nc3cccc4ccccc34)S2)cc1 736641720 OQHWDEFCBKBGCQ-OAQYLSRUSA-N 431.561 5.385 30 20 IKED O=C1/C(=C\c2nc(-c3ccccc3)cs2)COC/C1=C/c1nc(-c2ccccc2)cs1 741448388 XNDZNSJTSIPJKV-YZLQMOBTSA-N 442.565 6.000 30 20 IKED N#Cc1cc(NC(=O)Nc2ccc(SC3CCCC3)cc2)ccc1N1CCC(O)CC1 743095394 ULALTBVPLWUMGT-UHFFFAOYSA-N 436.581 5.198 30 20 IKED C[C@@H](CCc1ccccc1F)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 744027807 DUFBITHIFBVCOX-GHTZIAJQSA-N 430.479 5.534 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C(/C)c3cccc(C(F)(F)F)c3)n2)cc1 744062716 WFJQVXAQYDVFEQ-LMICACPXSA-N 442.462 6.117 30 20 IKED CCC(C)(C)c1ccc(Oc2ccc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)cc2)cc1 746091509 AXEXHTVSZNOBNT-OCOZRVBESA-N 447.535 5.022 30 20 IKED O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)c1cnn(-c2ccccc2)c1 746349742 YVECYELRMDPILA-YPKPFQOOSA-N 431.499 5.075 30 20 IKED COc1ccc(/C=C/C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)cc1OCCCC#N 747361072 BBVGGPDTUWSRHD-ONNFQVAWSA-N 431.444 5.232 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccn(-c4ccccc4Cl)n3)n2)cc1 748010542 SAUZHGIFBYRRNG-INIZCTEOSA-N 429.892 5.011 30 20 IKED CCN(Cc1ccccc1NC(=O)N[C@@H](CCC#N)c1ccccc1)C(=O)OC(C)(C)C 748609503 DJPYVYFRGJIMIA-NRFANRHFSA-N 436.556 5.610 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OC(F)F 750899432 GNDFRTVILTYHFN-FPYGCLRLSA-N 442.212 5.254 30 20 IKED Cn1c(C(=O)Nc2cccc(OCCCC#N)c2)ccc1-c1ccccc1Br 751347158 QGRBJWWLUPOFKT-UHFFFAOYSA-N 438.325 5.389 30 20 IKED COc1cccc(Nc2nn(CN3CCC[C@H]3[C@@H](C#N)c3ccccc3)c(=S)s2)c1 751933412 VDQPIKGZEBQQGF-PMACEKPBSA-N 437.594 5.156 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@@H](O)c1cccc(F)c1 752645620 MZIKLQPGWQYYAZ-PNDGYVOYSA-N 437.902 5.378 30 20 IKED N#CCOc1cccc(CC(=O)N(Cc2ccc(F)cc2)c2nc3ccccc3s2)c1 760436613 NLEPMRJPCSMIRE-UHFFFAOYSA-N 431.492 5.114 30 20 IKED C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1cccc(C(=O)c2ccccc2)c1 762025247 LNFRCVRWDOBGQF-QRWLVFNGSA-N 448.881 5.161 30 20 IKED CCc1cc[n+](/C(C(=S)Nc2c(C)cc(C)cc2Cl)=C(/O)c2ccc(C#N)cc2)cc1 762444711 DXWMEQLSPQKOMX-UHFFFAOYSA-O 448.999 6.002 30 20 IKED Cc1ccc(OCc2ccc(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)o2)c(C)c1 764303177 VPPOMKJEEWPXHU-UHFFFAOYSA-N 425.828 5.161 30 20 IKED Cc1c([C@H](C)OC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)sc2ccccc12 767578426 NFIBDROBWMJENQ-INIZCTEOSA-N 427.547 5.205 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(c3cccnc3)CC2)c1=S 768468176 KUWFPMJWSADHMC-UHFFFAOYSA-N 425.989 5.153 30 20 IKED Cc1cc(Br)cc2c(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)coc12 770847397 OGJCPMPRNUMAMP-SFHVURJKSA-N 447.288 5.618 30 20 IKED CCOc1c(OC)cc(/C=C/C(=O)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)cc1OC 771100418 YIKNKMLJZDIUBL-RQMBKDMJSA-N 444.499 5.086 30 20 IKED C#CC[C@H](NC(=O)N1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1)c1ccccc1 772382849 BIGZJEXNSSTVCM-IRLDBZIGSA-N 445.588 5.472 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCCC[C@H]2c2nc3ccccc3o2)cc1C#N 775691470 VVABGQYGQJVQPY-IBGZPJMESA-N 433.468 5.027 30 20 IKED Cc1ccc2oc(CN(Cc3ccco3)C(=O)Nc3ccccc3O[C@H](C)C#N)cc2c1 775723051 QALBICHJXAPKMH-GOSISDBHSA-N 429.476 5.859 30 20 IKED CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3cc(C(C)(C)C)sc3C#N)ccc21 776879981 XFZZBKDHTMMWTM-UHFFFAOYSA-N 425.554 5.467 30 20 IKED CC(C)[C@H]1CN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CCN1C(=O)OC(C)(C)C 782038589 FCWBVMXWDZIVPI-IEBWSBKVSA-N 446.617 5.048 30 20 IKED CC(=NNc1ccc(C(F)(F)F)nn1)c1ccc(Br)cc1C(F)(F)F 790172580 RCHONBVTEKOXQS-UHFFFAOYSA-N 427.146 5.113 30 20 IKED C=CC[C@H](NC(=O)N1CCC(c2nc(-c3ccccc3OC)cs2)CC1)c1ccncc1 790373073 CAVFOTNPMFFDNS-NRFANRHFSA-N 448.592 5.420 30 20 IKED O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1cccc(C[S@](=O)c2ccccc2)c1 790648778 RGAKKZYIVXJGDH-PMERELPUSA-N 427.447 5.003 30 20 IKED N#CC1(CCCOC(=O)c2oc3ccccc3c2CSc2cccs2)CCOCC1 800152802 GBRHKBPYUCTHAD-UHFFFAOYSA-N 441.574 6.044 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)c2cc(C#N)ccc2Cl)cs1 803832366 BLGXAGSGRYMUKK-UHFFFAOYSA-N 439.924 5.327 30 20 IKED COc1cc(OC)cc(Oc2cccc(CNC(=O)c3ccccc3SCC#N)c2)c1 804141118 IRJSLQPJWKFXQJ-UHFFFAOYSA-N 434.517 5.042 30 20 IKED N#C[C@H](COC(=O)c1nc2ccccc2cc1Cl)Cc1ccccc1Br 810750650 KDFRDTRAIVIWBE-CYBMUJFWSA-N 429.701 5.190 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(CCCCF)C2=O)c1 812220611 PXUPNJWDYZDRFS-HXUWFJFHSA-N 445.535 5.153 30 20 IKED C#C[C@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)c1ccc(F)cc1 812918565 WEIXWXTVVGZACN-KRWDZBQOSA-N 445.372 5.186 30 20 IKED N#C[C@H](C(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1)c1cc(C(F)(F)F)ccn1 813211167 FIVKAKBIVMFBQR-KKSFZXQISA-N 448.416 6.088 30 20 IKED CSc1ccc2cc(COC(=O)c3cnc(C(F)(F)F)c(C#N)c3)c(Cl)nc2c1 815476225 PTTUTTAYNYKZNA-UHFFFAOYSA-N 437.830 5.253 30 20 IKED Cc1cc(C(=O)NC2CCCCC2)ccc1NCc1cc(C#N)ccc1Br 864006131 QSVPIRAIVYENHI-UHFFFAOYSA-N 426.358 5.304 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCc2ccc(Br)s2)cc1 915085913 CUCMPHRUCQMZFP-HXUWFJFHSA-N 439.378 6.127 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)c1nc(-c2ccccc2)cs1 915102600 ZQUPROHJSUNHHR-KRWDZBQOSA-N 435.961 6.006 30 20 IKED COC(=O)c1ccc(-c2ccc(/C=C3\SC(=Nc4c(C)cccc4C)NC3=O)o2)cc1 915849034 OIKGFMULZZEIDL-MOSHPQCFSA-N 432.501 5.242 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(OC3CCCC3)nc2)cc1 916396175 CLLJPBNYHCGXPU-DEOSSOPVSA-N 426.520 5.380 30 20 IKED CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)COc2cccc(C#N)c2)cc1 916424774 AFDIMYJARGCYLK-UHFFFAOYSA-N 427.504 5.126 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)cc1OCC 916904808 DXZRQRNXHZHCBC-CQSZACIVSA-N 435.307 5.142 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 916947605 OFFXXOVTLRXFAS-IIBYNOLFSA-N 443.503 5.315 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4ccc(Cl)cc4)n3)n2)cc1 916972571 OHBLEIYFCFRFFN-IBGZPJMESA-N 449.988 6.314 30 20 IKED CCCCCOc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1 917560473 ZTVZUYJFOCXIBB-WJDWOHSUSA-N 448.588 6.601 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CCc3[nH]c4ccc(F)cc4c3C2=O)cs1 917560725 XNZAGBFBPWIVEU-UVTDQMKNSA-N 449.482 5.800 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)cs1 917562182 UOHLDEJMAHNCPS-POHAHGRESA-N 431.344 6.339 30 20 IKED COc1ccccc1-c1cc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)no1 918168856 PFWRRAAVRBGQOS-UHFFFAOYSA-N 427.485 5.301 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)n2)cc1 920139552 USXQJPHDXNKMIT-LJQANCHMSA-N 449.532 5.656 30 20 IKED Cc1ccc(/C=C\C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(Br)c1 920142625 QYBYGFYBGPBJRO-CNZFZVQHSA-N 448.345 5.642 30 20 IKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@H](C)c2ccc(C)s2)c1 920172676 KGJQTXJWGCEVDW-OXQOHEQNSA-N 441.622 5.035 30 20 IKED N#C[C@H](C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)c1nc(-c2ccncc2)cs1 920264972 GTYXXVMNKWKGRY-SUOMESGTSA-N 431.517 5.962 30 20 IKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2[C@H](C)CCC[C@H]2C)ccc1Cl 920963086 OIWRXALUAISHSS-QZTJIDSGSA-N 447.000 5.124 30 20 IKED CCOc1cc(/C=C2/Cc3c(F)cccc3C2=O)ccc1OCC(=O)Nc1ccccc1 921267242 ZSDGFWDXUDKTMA-AQTBWJFISA-N 431.463 5.064 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cn4ccsc4n3)cc2)CCC1 1789332969 IQYNKNXHRVCJPQ-UHFFFAOYSA-N 436.581 5.136 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@]3(F)CCCC=C3F)CCC2)cc1 1789455502 WCXWIYWOVLSFBF-NLFFAJNJSA-N 428.523 5.635 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(OC)ccc4o3)CCC2)cc1 1791250373 QGQHMPUGWOGTKT-KRWDZBQOSA-N 432.520 5.401 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3csc4c3CCCO4)CCC2)cc1 1791299462 JXJRDNIQEUGZHU-UHFFFAOYSA-N 446.519 5.032 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc3ccccc23)c1 1797301400 PINUNSIHQZIUAD-LZQXYRQZSA-N 437.543 5.032 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3occc3c1)CC2 1820097541 CPYGBWMOBPXASY-KRWDZBQOSA-N 437.565 5.108 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc(C(F)F)c2)CC1 1825404110 AWLMMJGEKSJXBS-OAQYLSRUSA-N 447.570 5.245 30 20 IKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1825424177 IVYRKZOUDGXZIU-SANMLTNESA-N 445.607 5.027 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cnc2Cl)CC1 1829198677 RJXQGZOOYJQELD-FQEVSTJZSA-N 449.998 5.100 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)c(F)c2)CC1 1829968634 IPJCAUBIEQHHDU-LADGPHEKSA-N 426.576 5.136 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2cc(C)c(C)cc2C)[n+]2cccc(O)c2)cc1 10173856 QDVBZJCJNAEYCW-UHFFFAOYSA-O 435.569 5.055 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2)c2ccccc2)nnc1-c1cccc(C)c1 10533093 BIOPQPATAMXXGY-HSZRJFAPSA-N 440.572 5.912 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 32043068 KDBCRTIMFCNMHY-UHFFFAOYSA-N 442.943 5.930 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)cc1Br 33195882 WLPFFVLEJIXWAR-YUMQZZPRSA-N 436.165 5.228 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 58412687 NTHKAPCFWBMMSR-UHFFFAOYSA-N 445.363 5.276 30 20 IKED CC(=O)CCc1ccc(OCCC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1 58693893 YPVVFEWFHWXVJP-UHFFFAOYSA-N 444.556 5.315 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cccc(C(F)(F)F)c2)cc1 71944544 BYXVKYAYJKFKSF-UHFFFAOYSA-N 439.437 5.672 30 20 IKED C=CCn1c(SCC(=O)c2ccc(Oc3ccccc3)cc2)nnc1-c1ccncc1 97211619 XMTKTFSAVFMNTF-UHFFFAOYSA-N 428.517 5.293 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2cccc(C)c2)n1CC 104778024 NGPFEMYBJSAUBI-UHFFFAOYSA-N 447.029 5.295 30 20 IKED N#Cc1cccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)c1 208263234 ITXJGPAGAMGFOQ-YPKPFQOOSA-N 443.462 5.413 30 20 IKED N#Cc1cccc(/C=C2/CC(C#N)(c3ccccc3)C/C(=C/c3cccc(C#N)c3)C2=O)c1 210599278 SSKDIUMUUOATTL-CPZPTNFUSA-N 425.491 5.721 30 20 IKED Cc1ccc([C@@H](Nc2cc(C#N)nc3ccccc23)c2cccc(S(C)(=O)=O)c2)cc1 301486507 ZZZMSBXELNOLBD-RUZDIDTESA-N 427.529 5.020 30 20 IKED CCN(C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)[C@@H](C)c1ccc(C#N)cc1 302978088 SNWQDGFOIFINLG-INIZCTEOSA-N 439.437 5.988 30 20 IKED Cc1ccc(-c2noc(CCC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)n2)cc1F 303317188 HAYCELJBVJXYFO-UHFFFAOYSA-N 442.450 5.419 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](C)c1cc(Cl)ccc1Cl 427485045 YYMVGWBIQUMUDI-STQMWFEESA-N 436.364 5.204 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2c(F)cccc2F)n1)c1nc(-c2c(F)cccc2F)cs1 429722977 JNLNCPOCFDYROB-NSHDSACASA-N 442.397 5.042 30 20 IKED N#CCCC[C@H](NC(=O)NCc1cc2cc(Br)ccc2[nH]1)c1ccccc1 431472167 PNLWEJNELIVRLC-IBGZPJMESA-N 425.330 5.165 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(Br)cn1 432064554 UJLDTIGDQDNBAI-CQSZACIVSA-N 437.297 5.391 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(OC3CCOCC3)cc2)cc1F 437492450 IVHZGPDDHFABRZ-UHFFFAOYSA-N 432.451 5.300 30 20 IKED COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)N[C@H](C)c1ccc(C#N)cc1)CCO2 437840709 MTGNRXRHIKVWHY-KBMIEXCESA-N 441.531 5.363 30 20 IKED CN1CCC[C@@H](CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@H]1c1cccs1 438032202 WHOREQSYFDPLCX-CYFREDJKSA-N 446.576 5.617 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 438069990 DKUCERLVYPQMSN-IRXDYDNUSA-N 428.989 5.525 30 20 IKED O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cnn(-c2ccccc2F)c1C(F)(F)F 438474901 WURXDIXTSYCMJW-NWDGAFQWSA-N 437.359 5.129 30 20 IKED N#Cc1ccc(NC(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cc1C(F)(F)F 438655792 LHHBFYFPOQJYLB-UHFFFAOYSA-N 430.361 5.225 30 20 IKED Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 438964803 QRWJXLPHKNUPDO-HXUWFJFHSA-N 435.867 5.130 30 20 IKED CCCc1c(NC(=O)c2cc(Cl)ccc2Br)cnn1-c1cccc(C#N)c1 440076034 IZWSMZQALZOVOL-UHFFFAOYSA-N 443.732 5.365 30 20 IKED CCn1ncc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c(C)nc21 440493501 ZUCVUFXZEBVWKL-UHFFFAOYSA-N 433.459 5.037 30 20 IKED Cc1ccc([C@H](Cn2ccnc2)NC(=O)Nc2ccccc2S[C@H](C)CC#N)c(C)c1 442203318 BUGXLOHPLIKACZ-KNQAVFIVSA-N 433.581 5.457 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(-c4noc(C5CC5)n4)c3)n2)cc1 442872105 NDZGQBLKSGVKPZ-IBGZPJMESA-N 437.484 5.099 30 20 IKED Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cn(CCCC#N)c5ccccc45)C3)[nH]c2c1 444340865 RMNAOWCBGKGMKS-LJQANCHMSA-N 425.536 5.150 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H](c2cccc(Cl)c2)OC[C@H]1C 444722007 GLQMMCMPFKQNLH-CBGDNZLLSA-N 444.000 5.135 30 20 IKED Cc1c(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cnn1C1CCCC1 444856958 WLMMVJABLXEFMH-NRFANRHFSA-N 433.943 6.260 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(Br)c(Cl)c2)c1C#N 445558900 BJNPBKSACMTRMJ-UHFFFAOYSA-N 447.745 5.134 30 20 IKED C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 460585766 QNXBNSWEDVVKBA-UHFFFAOYSA-N 428.515 5.139 30 20 IKED CC[C@H](C)N(C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccc(C(N)=O)cc1 463597561 BNQKTUWVHQNHOK-INIZCTEOSA-N 447.922 5.548 30 20 IKED CSc1cccc([C@@H](NC(=O)[C@@H](C)Oc2ccccc2C#N)c2cc(F)ccc2F)c1 464138163 XGUZCTZZERIDHO-IQMFZBJNSA-N 438.499 5.231 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2c(C)cccc2C(=O)N2CCCC2)cc1 465457632 XVSJWZUYXMMQAN-UHFFFAOYSA-N 439.515 5.456 30 20 IKED C=CCc1ccc(OCC(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)c(OC)c1 467473501 CQANRECWATZTLI-JOCHJYFZSA-N 433.552 5.097 30 20 IKED COc1cc(Br)ccc1[C@@H](C)NC(=O)Nc1ccccc1SC[C@@H](C)C#N 470364216 SCTTXQHDZDWZIM-UONOGXRCSA-N 448.386 5.592 30 20 IKED Cc1ccccc1Cc1nnc(CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)o1 471194912 PHKBMYGNZAOXHJ-UHFFFAOYSA-N 428.517 5.277 30 20 IKED CCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H]1CCN([C@H](C)c2ccccc2)C1 473820922 DLOJFOMEYXUDGV-SJBKTWHCSA-N 436.625 5.770 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 475580701 CJZDVLCIIFOBTQ-UHFFFAOYSA-N 433.596 5.141 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 479192869 RIDILINRTNBXCW-YMTQGWHGSA-N 445.485 5.670 30 20 IKED Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 480077578 LZANECCBUUIKPF-UHFFFAOYSA-N 431.492 5.276 30 20 IKED CCN(Cc1cccc(Br)c1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 481322882 UIJRMVNYXNLJOR-UHFFFAOYSA-N 439.275 5.051 30 20 IKED CS(=O)(=O)c1cccc([C@@H](N[C@H]2CCCCc3cc(C#N)ccc32)c2ccccc2)c1 481648684 AJUABALVLZLQIH-UIOOFZCWSA-N 430.573 5.108 30 20 IKED C[C@@H](Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)C(=O)N(CCC#N)c1ccccc1 481700984 YYQYUMSASQCKKW-OAHLLOKOSA-N 444.482 5.576 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1CC 482049308 NOXRLBYZOLHOOD-UHFFFAOYSA-N 440.979 5.476 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4nccc5ccccc45)cc3)o2)c1 483218910 QWUDAXFROLEPFM-QHCPKHFHSA-N 430.467 5.750 30 20 IKED Cc1cc(C)c(-c2nnc(SCC(=O)c3cn(CCC#N)c4ccccc34)o2)c(C)c1 483240072 MPQIQXDNBNAQSS-UHFFFAOYSA-N 430.533 5.505 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCc2c(F)cc(F)cc2C1 483356809 KMHXXYRYVODLHY-UHFFFAOYSA-N 433.458 5.314 30 20 IKED CCc1c(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cnn1C(CC)CC 484655595 QYLBGKUHNCRHOO-UHFFFAOYSA-N 436.560 5.034 30 20 IKED C=CCn1c(SCc2cc(C)ncn2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 488221318 PWBWAQXQNKOEJI-UHFFFAOYSA-N 438.553 5.149 30 20 IKED Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3c[nH]c4ccccc34)n2C[C@H]2CCCO2)cc1 494102963 FKNKQYMIAHWBFG-UXHICEINSA-N 443.576 5.141 30 20 IKED N#Cc1ccc(-n2nccc2NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1 498029177 SPCHYJLDEKRFNY-UHFFFAOYSA-N 449.392 5.202 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)c12 499302116 SZQVKGCYUGGXFX-UHFFFAOYSA-N 426.476 5.112 30 20 IKED C=CCn1c(SCc2ccc(OCc3cccnc3)cc2)nnc1-c1ccccc1F 499351803 VDHDUZFINGOBSB-UHFFFAOYSA-N 432.524 5.537 30 20 IKED CC(C)[C@H](c1ccccc1Cl)N(C)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 500155130 IPVROMLIQZZBLD-GOSISDBHSA-N 430.879 5.248 30 20 IKED CCCN(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[C@H](C)c1cc2ccccc2o1 501627853 HTJVBTXBFBLJAW-GOSISDBHSA-N 438.549 5.124 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)CCC(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 505155035 OSVXQKJKRNYTEG-UHFFFAOYSA-N 438.527 5.258 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2)cs1 505746067 RLSARFRQCOHIRY-HNNXBMFYSA-N 432.730 5.472 30 20 IKED CC[C@@H](C)N[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccco1 509599616 GXLRVPGSQVZSSZ-NTKDMRAZSA-N 448.542 5.132 30 20 IKED COc1ccc(CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)cc1 510003781 DPNDYXIIRFQRAA-XMMPIXPASA-N 445.950 6.201 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1Cl 510022705 GGCVRGVTJFAXJO-UPVQGACJSA-N 444.966 5.391 30 20 IKED CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510024354 RQAWIUILYJUDTN-NRFANRHFSA-N 447.922 5.778 30 20 IKED CCN(C(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1)c1ccc(C#N)cc1 510387824 DCBPANXJWCVHPZ-UHFFFAOYSA-N 448.320 5.240 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2CCc2ccccc2)cc1 511356922 XRWLGRJCMSTFKB-RUZDIDTESA-N 439.559 5.961 30 20 IKED CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1C(C)C 511515794 RPQPXSHSTACVOI-UHFFFAOYSA-N 429.520 5.661 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)c2cccc(COc3ccccc3C#N)c2)cc1OC 513107716 HJJKMYMVUVBMLE-QHCPKHFHSA-N 442.515 5.132 30 20 IKED Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cn2)n1 514575025 XGTSLZCLTLGIGX-JOCHJYFZSA-N 441.922 5.445 30 20 IKED Cc1ccccc1COc1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 515540461 UORDCNJDLWIHLO-IBGZPJMESA-N 431.442 5.809 30 20 IKED Cc1c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cccc1C(=O)N1CCCC1 517657194 MZOZTEWNFXWSGE-UHFFFAOYSA-N 439.515 5.342 30 20 IKED N#Cc1c(NC(=O)c2ccn(-c3cccc(Br)c3)n2)sc2c1CCCCC2 520725702 VDPVQIGXEQBLRT-UHFFFAOYSA-N 441.354 5.089 30 20 IKED Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)o1 523420321 MOLQRTPOYYSYHP-QHCPKHFHSA-N 442.519 5.861 30 20 IKED CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c(C)c1 524503415 ODPBMIGBLGVRFJ-IBGZPJMESA-N 441.531 5.226 30 20 IKED CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 524983445 WFYIRQYBPULLHF-UHFFFAOYSA-N 433.895 5.851 30 20 IKED C[C@@]1(c2ccccc2)CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCO1 531597049 VASISARTZZPKOX-MHZLTWQESA-N 441.531 5.111 30 20 IKED C=C[C@H](CC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1)c1ccccc1 534707316 WOTLPFOMYMXQKL-OAQYLSRUSA-N 428.532 5.061 30 20 IKED COc1cc(NC(C)=O)ccc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 534889847 YNHLZUITAOQGHZ-UHFFFAOYSA-N 435.867 5.223 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 537050298 HVXBAOLDBOXPKN-ZWKOTPCHSA-N 448.592 5.113 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1cccc(F)c1)C1CCCC1 539329269 DTDUBVBOBJAPIM-MZNJEOGPSA-N 425.573 5.680 30 20 IKED C[C@H](NC(=O)C1(c2cccc(F)c2)CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 541109096 BRPFANUSXQFNQN-IBGZPJMESA-N 428.507 5.290 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)NCc1ccc(F)c(C#N)c1 542567684 BCNLVUKUTZEXLR-LBPRGKRZSA-N 430.346 5.743 30 20 IKED CCCc1c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cnn1-c1cccc(F)c1 543338794 JHXXPPFMHMWLJU-UHFFFAOYSA-N 444.466 5.260 30 20 IKED CC1CCN(c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cn2)CC1 546155837 ZRWOREIIGSDLRM-LJQANCHMSA-N 436.968 5.585 30 20 IKED CC(C)OCc1cc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)ccc1O 564546606 QTPCWFFFKINEII-UHFFFAOYSA-N 441.959 5.087 30 20 IKED C=C[C@H](CC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1)c1ccccc1 568133643 GTUTYZYNQUHRRY-LJQANCHMSA-N 441.413 5.232 30 20 IKED CC(C)Cc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C2CC2)cc1 572970908 UTJWHUXTUXIYES-UUOWRZLLSA-N 449.620 5.485 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc2c(cc1Cl)OCCO2 578277069 NIENNRLQNRSXES-CQSZACIVSA-N 448.997 5.377 30 20 IKED Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccccc1Sc1ccccc1C#N 602075993 RDGMLLUVZGJRBO-UHFFFAOYSA-N 442.588 5.022 30 20 IKED CCOc1c(Br)cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1OC 602755730 MQWWCEMXHLGZGD-NSHDSACASA-N 449.370 5.167 30 20 IKED N#CCc1cccc(C(=O)N2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)c1 603736562 ZZTIJURUZTXCOI-UHFFFAOYSA-N 435.980 5.093 30 20 IKED CSCc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)oc2ccccc12 603846295 LQHNWVCZHURXNH-CYBMUJFWSA-N 446.475 6.414 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)CCc3ccc4ccccc4c3)s2)cc1 603945974 XBPVCBFZTZQLSU-UHFFFAOYSA-N 430.558 5.427 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3cccc(OCCCC#N)c3)c3c(C)noc3n2)c(C)o1 603972066 LSKGLQSGLDNRLC-UHFFFAOYSA-N 430.464 5.343 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)Nc2sc3c(c2C#N)CCCCCC3)s1 603996533 VTPANCUMQRRZOT-UHFFFAOYSA-N 427.620 5.953 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)COc2ccccc2-c2ccccc2)cc1 604003873 NIAJEBLZGKNFJY-UHFFFAOYSA-N 448.522 6.016 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)cc1 608995229 DESVHZTVSYXKHO-JOCHJYFZSA-N 441.487 5.491 30 20 IKED COc1cc(CN(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)ccc1SC 609209986 ZJFZKITUOGEGTK-UHFFFAOYSA-N 433.533 5.745 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc3nc(C(F)F)[nH]c3c2)cc1 609283466 BHMSWZOPMIDKEE-UHFFFAOYSA-N 434.402 5.425 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3c3cccc4c3OCCO4)cc2)cc1 609517635 DYGKZMIKUVROHK-DEOSSOPVSA-N 440.499 5.293 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2c(-c3ccccc3)ncn2C2CC2)c1 609627692 FJJNLAMROZSYEB-UHFFFAOYSA-N 434.499 5.588 30 20 IKED N#C[C@H](NC(=O)c1cccc(Oc2nccs2)c1)c1ccc(OCc2ccccc2)cc1 609911349 FIHSECMXNBSPAJ-QHCPKHFHSA-N 441.512 5.509 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC1(c2ccccc2Br)CC1 610167241 VPBLMGCHEADFRM-HNNXBMFYSA-N 444.398 5.697 30 20 IKED C=CCn1c(SCc2csc(-c3cccc(C(=O)OC)c3)n2)nnc1-c1ccccc1 610218362 FUWLCQRFOWUJKY-UHFFFAOYSA-N 448.573 5.334 30 20 IKED C[C@@H](NC(=O)c1ccccc1Sc1ccc(Br)cn1)c1cccc(C#N)c1 610360014 QBASGTVXZWVMRS-CQSZACIVSA-N 438.350 5.358 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCn4c(cnc4C4CCCCC4)C3)cn2)c1 611488283 UQHKBQQLMFUPJV-FQEVSTJZSA-N 441.535 5.191 30 20 IKED C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 611556560 DWSQQYZHIHREJD-YOEHRIQHSA-N 430.430 5.005 30 20 IKED N#C[C@H](C(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1nc2cc(Cl)ccc2s1 613406990 CHROJCGAHRNZRM-CYBMUJFWSA-N 430.316 5.220 30 20 IKED O=C(NCc1ccc(C2CC2)cc1F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 644112080 WWMHCESBPILBMU-KBPBESRZSA-N 426.376 5.412 30 20 IKED Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)c12 679089270 KAPYMSBFXFTBHB-FQEVSTJZSA-N 444.498 5.040 30 20 IKED Cc1cc(F)c2nc(O)cc(C(=O)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c2c1 679279636 GBNJMYVTUHKSBA-UWVGGRQHSA-N 438.343 5.027 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCc1ccc(Cl)c(Cl)c1 726319358 HHKPRPKBCCCZII-ZDUSSCGKSA-N 439.726 5.244 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)cc1 726940560 XSISXDGEYWTDOK-KRWDZBQOSA-N 439.968 5.872 30 20 IKED N#Cc1cccc(COc2ccc(NCc3cccc(C(=O)N4CCCCC4)c3)cc2F)c1 728201096 DFBOLKWXUCIREI-UHFFFAOYSA-N 443.522 5.515 30 20 IKED Cc1ccc(Cl)c(NC(=S)N(Cc2ccc(C#N)cc2)CC(F)(F)F)c1Cl 728443331 FRMBHRJUIUSCCJ-UHFFFAOYSA-N 432.298 5.935 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)c2)cc1 728463044 XBYKAACIJCQQOF-UHFFFAOYSA-N 431.879 5.383 30 20 IKED Cc1nc(NC(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)sc1SCC#N 729353893 IZLLXYKXUFKFPD-INIZCTEOSA-N 446.598 5.052 30 20 IKED CC(C)COc1ccc(CC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 730398004 CQKNUYYKDCNWKO-QGZVFWFLSA-N 432.467 5.769 30 20 IKED Cc1cc2occ(CC(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)c2cc1C 731060951 SDELXDKULFMUHD-KRWDZBQOSA-N 436.533 5.168 30 20 IKED Cc1cc(C(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)c(C)n1-c1ccc(C#N)cc1 732109360 FUKIWKLTJHTBHT-UHFFFAOYSA-N 448.954 5.352 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(C)[C@H]2CCCc3nc(C)sc32)c1=S 732188411 FXALVANDFMDTDG-SFHVURJKSA-N 441.626 5.008 30 20 IKED Cc1ccc(-c2nnc([C@H](C)OC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)o2)cc1 732377592 RWIDJOKACMBHMK-SFHVURJKSA-N 439.471 5.821 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)/C(=C/c3ccco3)NC(=O)c3ccccc3)cc2)c1 732960038 WHMRCHLRMUYDQJ-UQQQWYQISA-N 449.466 5.353 30 20 IKED CC[C@@H](C#N)Oc1cc(CNCc2c(OC(F)F)ccc3ccccc23)ccc1OC 733329867 BSQMTGYCUASYKO-SFHVURJKSA-N 426.463 5.421 30 20 IKED Cc1cc(S[C@H](C)C(=O)OCc2ncc(C(C)(C)C)o2)n2c(nc3ccccc32)c1C#N 733412772 OOTRFRDBRQKEBM-OAHLLOKOSA-N 448.548 5.177 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cc(Cl)c(OC)c(Cl)c2)ccc1OC 733630101 ZKDAAPVGJCJAIC-AWEZNQCLSA-N 438.311 5.013 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)c1 733773172 SVNNLSUQMXXLHX-NTKDMRAZSA-N 436.458 5.082 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C)c(Oc3ccncc3)c2)cc1 734705701 OPGDVIVJHPVYPO-QHCPKHFHSA-N 427.504 5.486 30 20 IKED Cc1nc(-c2ccc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)cc2)co1 734996714 GYHSRAKGCDKTJA-UHFFFAOYSA-N 429.863 6.220 30 20 IKED N#CCOc1ccc(Cl)cc1CSCC(=O)Nc1ccc(OC(F)(F)F)cc1 735317859 GMUNQGBCCUNHCC-UHFFFAOYSA-N 430.835 5.013 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 743856244 ZHGULDKTXGBSEI-ZEQKJWHPSA-N 427.523 5.332 30 20 IKED Cc1nc(C2CCCC2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 744029280 SCSMJROPSHMPLG-LJQANCHMSA-N 445.544 5.863 30 20 IKED CC(C)(C)c1ncc(/C=C/C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)s1 744073916 IRHSAZYXCQYZME-GWJCSSMESA-N 429.517 5.732 30 20 IKED C[C@H](c1ccccc1)N(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)Cc1ccccc1 746101805 RXSYZTQCZXSOTB-HYBUGGRVSA-N 432.527 5.487 30 20 IKED CCN(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)[C@@H](C)c1cccc(C(F)(F)F)c1 746143678 FOPVDYZRLREJKL-KXBFYZLASA-N 438.453 5.326 30 20 IKED Cn1c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)ccc1-c1ccc(F)cc1 749178634 NQVYLCCBSOJTIU-UHFFFAOYSA-N 449.536 5.099 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 752805210 GTFXQFNYPNBDFU-HNNXBMFYSA-N 447.366 5.070 30 20 IKED COc1ccc(/C=C(/C)C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1F 755641446 TWMBKCMOFJDVFW-ICDLMJIXSA-N 428.435 5.516 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccc(F)cc3)c(C)s2)cc1Cl 756231457 MIYUORGNTPMLMV-KRWDZBQOSA-N 442.899 5.486 30 20 IKED C#Cc1cccc(N(CC)Cc2csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n2)c1 756589992 NXUMLCQIBVNSBS-UHFFFAOYSA-N 443.494 5.854 30 20 IKED COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3ncc(Br)s3)c2)cc1 756847353 QDUORMYMQAPBGV-YHYXMXQVSA-N 443.322 5.063 30 20 IKED C#CC[C@@H](NC(=O)NCc1cccnc1Oc1ccccc1OCCC)c1ccccc1 757060143 XZPHFNPPQFNURW-JOCHJYFZSA-N 429.520 5.227 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Nc2ccc(OCc3ccccn3)c(F)c2)c1 758474728 XSAZNGGWNUXBGO-FQEVSTJZSA-N 446.526 5.164 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)c1nc(-c2ccc(Cl)cc2)cs1 766840756 IRXYQNCKLCNCOA-RBSFLKMASA-N 432.854 5.861 30 20 IKED CC#CCCCC(=O)OCc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1 767675189 KIKNNIUKNGQMMT-UHFFFAOYSA-N 425.337 5.371 30 20 IKED Cn1cc(/C=C/C(=O)c2cc(Cl)sc2Cl)c(-c2ccc3c(c2)OCCCO3)n1 767872973 UNXIMPQDYJSRIH-HWKANZROSA-N 435.332 5.513 30 20 IKED C[C@@H](C#N)Oc1ccc(CNc2ccccc2CN(C)C(=O)c2cc3ccccc3o2)cc1 770586912 YQEQYTUOWHNXHS-IBGZPJMESA-N 439.515 5.608 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccnc(OC2CCCCC2)c1 772643869 GJDIPPQZTKRMKI-MRXNPFEDSA-N 432.307 5.061 30 20 IKED Cc1ccc(C(=O)O[C@H](C#N)Cc2ccc(F)cc2F)cc1NC(=O)Nc1ccccc1 774319588 GDFBRCPGNNDPNE-FQEVSTJZSA-N 435.430 5.209 30 20 IKED C[C@H](N[C@@H](c1cccc(F)c1)c1cccc(Br)c1)c1ccc(OCC#N)cc1 776165360 ZLWWSCCWPNOBRM-QMHKHESXSA-N 439.328 5.931 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](CC2CCC2)c2ccccc2)cc1 778166840 GNDNUPQDYDTXJH-CLJLJLNGSA-N 437.543 5.328 30 20 IKED CC[C@@H](C#N)SC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1ccc(Cl)c(OC)c1 780329174 HWVDJKHNUWXFQL-WAKXPGHKSA-N 441.940 5.136 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CCCC[C@H]2C(=O)N2c3ccccc3C[C@H]2C)n1 780402138 IEQOOCZMEOTQIX-VBSBHUPXSA-N 435.593 5.227 30 20 IKED COc1ccc(COc2cccc(F)c2)cc1NC(=O)Nc1ccccc1O[C@@H](C)C#N 780534739 RATDPTNGAXELJZ-INIZCTEOSA-N 435.455 5.348 30 20 IKED CCOc1cc(/C=C\C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)ccc1O 780896537 NWVKTQGGSFWWBK-LCYFTJDESA-N 428.488 5.088 30 20 IKED FC(F)(F)c1ccc(Cl)c(C=Nn2c(S)nnc2CSc2ccccc2)c1 782241376 RYNVRELVNAONMR-UHFFFAOYSA-N 428.892 5.414 30 20 IKED N#CCCn1cc(CNc2cccc(CC[C@H](O)c3ccccc3)c2)c(-c2ccncc2)n1 788522744 DPBUPNFSMAOAJN-SANMLTNESA-N 437.547 5.137 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1nccc2ccccc12 792093036 GXQLHXMLAXZYGQ-XLIONFOSSA-N 438.314 5.023 30 20 IKED N#Cc1sc(Sc2nnc(COc3ccccc3F)n2-c2ccccc2)nc1Cl 804338220 JQWICDUOUJLMCJ-UHFFFAOYSA-N 443.916 5.118 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C(F)(F)F)cn2)[n+]2cccc(C)c2)c1 804602254 APDCANAHCXFJFY-UHFFFAOYSA-O 440.470 5.001 30 20 IKED C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C 806210499 RYVWIZOWWLKRAC-QFIPXVFZSA-N 426.520 5.395 30 20 IKED N#C[C@H](C(=O)C12CC(C(F)(F)F)(C1)C2)c1nc(-c2ccc(Cl)cc2Cl)cs1 810531297 GVUMMQSAZUBBBN-LBWKMTJJSA-N 431.266 6.026 30 20 IKED CC(C)(C)OC(=O)N[C@H](CCC(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)c1ccccc1 813216674 WTCMQPHGCHGOBB-QZTJIDSGSA-N 447.457 5.323 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ncc(C(C)(C)C)s1 814729416 PGBFXTSAIMVREX-UHFFFAOYSA-N 442.997 5.723 30 20 IKED CCCOc1c(Cl)cc(C=NOCC(=O)Nc2ccccc2Cl)cc1OCC 826099590 FEBIZUGPGXQLMW-UHFFFAOYSA-N 425.312 5.170 30 20 IKED O=C(c1sc2cccc(F)c2c1Cl)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 883978468 OFYJODAIMKLJGG-HTQZYQBOSA-N 433.776 5.897 30 20 IKED CC(C)(C)OC(=O)NCCc1noc(-c2cccc(Oc3cccc(Cl)c3C#N)c2)n1 904764928 DERYWFUMELKRDG-UHFFFAOYSA-N 440.887 5.121 30 20 IKED C[C@H](Sc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 913427526 PXGVIQAHJWQPTB-YFKPBYRVSA-N 449.750 6.174 30 20 IKED C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915103702 CAGQOCLRUQDWLD-LRDDRELGSA-N 441.434 5.007 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cc(Cl)ccc1O 916273329 XLKPIIJQRSQAEF-UHFFFAOYSA-N 430.316 5.328 30 20 IKED CC[C@@H](C)c1ccccc1OCC(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916847193 NGIAUQGFGYFNIK-PBHICJAKSA-N 435.549 5.044 30 20 IKED Cc1[nH]c2ccccc2c1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996709 OLZROPMLWRLRBU-KRWDZBQOSA-N 440.355 6.326 30 20 IKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1nc2cc(Cl)ccc2s1 917042663 CRMKBXOVFDZLLW-CQSZACIVSA-N 443.862 5.692 30 20 IKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)C2)c1 917428599 CNOFJSKWMOWCPH-TZIWHRDSSA-N 444.560 5.239 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2ccc(Cl)c(C(=O)O)c2)cs1 917532072 GDZIFABLTGCJJD-UHFFFAOYSA-N 449.319 5.279 30 20 IKED CCc1cccc(CC)c1-n1c(-c2cccnc2)nn(CN(CCC#N)CC(C)C)c1=S 919944317 CJIIXOBFNCWYRF-UHFFFAOYSA-N 448.640 5.419 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 920004235 ZMBIOFDHFIJLMU-UHFFFAOYSA-N 438.434 5.744 30 20 IKED Cc1ccc([C@@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccccc2Cl)s1 920170713 NWPVMDSXEJGABJ-FZKQIMNGSA-N 448.013 5.071 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc2c(c1)CCC(C)(C)O2 920362459 CUYRNTYRSMLVTK-UHFFFAOYSA-N 429.545 5.419 30 20 IKED C[C@H](OC(=O)c1ccccc1OCC#N)c1nc2cc(Cl)ccc2n1Cc1ccccc1 920634509 WCHKRZWBBOGVNV-KRWDZBQOSA-N 445.906 5.558 30 20 IKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)CCC1 1785786396 QASPWAITOMWEGZ-JOCHJYFZSA-N 449.576 5.044 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790706429 AYZLHLWSHRZORQ-DEOSSOPVSA-N 427.548 5.269 30 20 IKED Cc1ccc(-c2cc(C(=O)NC3(c4ccc(NC(=O)[C@H](C)S)cc4)CCC3)c[nH]2)cc1 1791575606 KNQCNBPNSFWDBO-KRWDZBQOSA-N 433.577 5.056 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2sccc2OCC)n[nH]1 1814342517 JUALXOVQHDTSIT-QGZVFWFLSA-N 444.601 5.168 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccnc3ccccc23)n[nH]1 1818443054 MPIVEMGZSMBWEZ-MBSDFSHPSA-N 443.551 5.032 30 20 IKED CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)CCCC1 1819384404 ODRWOVAPKHWBMD-FQEVSTJZSA-N 442.680 5.033 30 20 IKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821612118 XWDHVMUTQVZVIZ-FQEVSTJZSA-N 428.492 5.191 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccoc3s2)CC1 1827407987 VESVUXXPUGZLIC-OAQYLSRUSA-N 440.609 5.496 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccccc3n2C)CC1 1827995283 ROUVWMGAKADYLQ-ILBGXUMGSA-N 447.623 5.180 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CSC2CCCC2)CC1 1828822596 ZNUYCAKHPJKXRS-GOTSBHOMSA-N 432.674 5.050 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(F)c2F)CC1 1828827479 NWHVRCPJJNEOTQ-NFBKMPQASA-N 444.566 5.275 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(C)CCCCC3)CC2)c1 1832632663 AJPJCQWGBNUIAU-SQJMNOBHSA-N 449.639 5.517 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)c1ccccc1Oc1ccccc1)C2 1841319705 XPGOMRADYAZNHW-UHFFFAOYSA-N 430.548 5.064 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(C(C)(C)C)cc2)cc1 10173535 OYRGXJHSXCUDTA-UHFFFAOYSA-O 445.652 6.502 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccc(Cl)cc1 10240428 APANPWCEVISTIX-QGZVFWFLSA-N 441.000 5.829 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(\S)Nc2cccc3ccccc23)c1 11126641 WYQHCNGTRHWAOI-UHFFFAOYSA-O 428.581 5.442 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1cccc(Cl)c1)[n+]1ccc(N(C)C)cc1 14871849 VXVAVDXUSNZKHN-UHFFFAOYSA-O 439.004 5.307 30 20 IKED C[C@H](OC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)Nc1ccc(F)cc1F 15806206 RVXVCMSUDMIIAJ-AWEZNQCLSA-N 438.455 5.172 30 20 IKED CC(C)c1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2cccc(O)c2)cc1 22728643 WNZYQLSNVNBNGR-UHFFFAOYSA-O 427.496 5.132 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccc(C(C)(C)C)cc2)cc1 22731027 VIMFAGQSECIZEC-UHFFFAOYSA-O 437.654 6.255 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)CCC)nc2scc(-c3ccccc3)c2c1=O 23404486 MYYWAFALUGCQRX-HZPDHXFCSA-N 441.622 5.096 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1csc(-c2ccc(F)cc2)n1 32040400 HGRGIPQBJRUPKH-GHMZBOCLSA-N 440.384 5.589 30 20 IKED C=CCN(C(=O)CCc1ncc(-c2ccc(OC)cc2)o1)c1nc(-c2ccccc2)cs1 63897544 AUYQPJZDFQBGGS-UHFFFAOYSA-N 445.544 5.626 30 20 IKED CC(C)CC(=O)Nc1cccc(CNCc2cccc(OCc3cccc(C#N)c3)c2)c1 64411631 SKPTVEOZIDVXOT-UHFFFAOYSA-N 427.548 5.412 30 20 IKED CN(CCC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)c(Cl)c1)CC2 71880467 YYWKWXLNBFZPCI-DTQAZKPQSA-N 436.342 6.014 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Oc2ccc(NC(=O)c3ccccc3)cc2)o1 71947671 WFFWZKGRJFKXSK-UHFFFAOYSA-N 438.439 5.202 30 20 IKED C=CCOc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)cc1OC 79308019 ONXFBHLIQUTOCH-HXUWFJFHSA-N 433.552 5.210 30 20 IKED CCc1nc2ccccc2c(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)c1C 104564825 VLPUSLFNVVXDSZ-UHFFFAOYSA-N 425.488 5.014 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2nc3ccccc3s2)cc1 116525339 FOUBFZIGUTXLRK-UHFFFAOYSA-N 429.501 5.540 30 20 IKED C=CCOc1c(Br)cc(CNc2cc(NC(=O)C3CC3)ccc2C)cc1OC 237460576 VBOOIMRTTHNMJC-UHFFFAOYSA-N 445.357 5.292 30 20 IKED C=CCNC(=O)Nc1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 237816879 BLGYRHZCYQDOOR-UHFFFAOYSA-N 426.860 5.428 30 20 IKED CCCCn1c(S[C@@H](C(N)=O)c2ccc(C#N)cc2)nc2cc(C(F)(F)F)ccc21 261481834 NEIAACXQWIJCDO-GOSISDBHSA-N 432.471 5.046 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H]2CCSc3ccc(F)cc32)cc1OC 302839815 YZUHOYHMQKVNAZ-QGZVFWFLSA-N 438.362 5.488 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(-c3cccc(Cl)c3)no2)cc1 303027242 OPCXXEMDSMXMAH-UHFFFAOYSA-N 443.890 5.892 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1ccccc1OC(F)(F)F 303423604 ZAJKJVDJYJTOHY-HNNXBMFYSA-N 437.487 5.050 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1cc(Br)cs1 409797124 QTFNORMMWMBSIM-UHFFFAOYSA-N 442.338 5.449 30 20 IKED C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1nc(Cc2ccccc2)no1 429073738 KURUBPLVIZAUBO-KRWDZBQOSA-N 439.475 5.207 30 20 IKED C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1Cc1cn(CCC#N)nc1-c1ccncc1 435136637 FQNAUJVPPVAJSE-DWACAAAGSA-N 447.586 5.437 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNc1ccccc1SC[C@@H](C)C#N 435657807 XFHWWIYKSIYVRD-INIZCTEOSA-N 425.001 6.066 30 20 IKED Cc1nc(C2(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)CCCC2)no1 437887618 FNCLSIMCVZSJEC-UHFFFAOYSA-N 437.887 5.286 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 438064834 VJDAXEKGLPMVKK-DLBZAZTESA-N 428.989 5.382 30 20 IKED Cc1csc(Sc2ccc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c(C)c2)n1 438094456 FCPNSIZNIDWONX-RBBKRZOGSA-N 448.617 6.215 30 20 IKED CCCc1c(NC(=O)c2cnc(-c3ccccc3F)s2)cnn1-c1cccc(C#N)c1 440082836 SMJJIQXIXLBLMQ-UHFFFAOYSA-N 431.496 5.211 30 20 IKED COc1ccc2[nH]cc(C3CCN(C(=O)c4cn(CCCC#N)c5ccccc45)CC3)c2c1 444036392 SZAUALIQWKGDRA-UHFFFAOYSA-N 440.547 5.455 30 20 IKED O=S(=O)(Cc1cccc(NCC#Cc2cccc(Cl)c2)c1)c1ccc(F)cc1F 448075236 UNLGOHJJMFGNAR-UHFFFAOYSA-N 431.891 5.056 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3ncoc3-c3ccc4c(c3)OCCO4)c2)cc1 460160541 JQTRDDSAATWRKU-UHFFFAOYSA-N 439.427 5.029 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c[nH]cc2-c2ccc(F)cc2)cc1 460891209 BKFOGRPWUGOPSN-UHFFFAOYSA-N 427.435 5.746 30 20 IKED N#Cc1cccc(-c2nnc(COc3c(Cl)cc(Br)cc3Cl)o2)c1 462701935 PCJYLTNPDNLNJQ-UHFFFAOYSA-N 425.069 5.257 30 20 IKED O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccc(F)c(C(F)(F)F)c1 464722371 FFAOSLLOFSLEAA-UHFFFAOYSA-N 435.274 5.440 30 20 IKED Cc1ccc(Cn2nc(C)c(CCC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c2C)cc1 464936753 CNZMPNUCEGVIAR-KAYWLYCHSA-N 440.591 5.088 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2Cl)c1 466324788 HRKLWNDXLHGNML-UHFFFAOYSA-N 425.803 5.090 30 20 IKED CCC1(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCOCC1 467690789 ITOVALVHPBLEPP-UHFFFAOYSA-N 427.932 5.119 30 20 IKED CO[C@@H](CCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C(F)(F)F 469163918 WLBGGUFDBVVRMD-AEFFLSMTSA-N 425.838 5.084 30 20 IKED CSc1nc(C2CC2)nc(C)c1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 470529561 YUAPZQSNQFUZOF-UHFFFAOYSA-N 434.496 5.440 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 474649769 JRQJDFBMOIFUGY-UHFFFAOYSA-N 434.908 5.561 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 475580724 CRLRNLSSWUEALG-OAQYLSRUSA-N 445.563 5.711 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 475597671 ARBROFUTHTUYAW-BEFAXECRSA-N 449.498 5.563 30 20 IKED CN(C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)C1CCC(F)(F)CC1 478424056 NEAJOBZEBQSQQE-UHFFFAOYSA-N 426.336 5.259 30 20 IKED Cn1ccnc1[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1ccc(F)cc1 479517356 ODMZUDSHHPPHDH-QHCPKHFHSA-N 442.519 5.101 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 480591105 HHMRQYYFCOGEBQ-HZPDHXFCSA-N 448.514 5.500 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 480834327 YTDBNHCDSJMKTJ-ZUZCIYMTSA-N 439.375 5.115 30 20 IKED N#C[C@@H](C(=O)c1ccc(NC(=O)CSc2cccs2)cc1)c1nccc2ccccc12 483229585 BSDZMNGYPWCMEX-HXUWFJFHSA-N 443.553 5.517 30 20 IKED CCC(C)(C)OCc1cccc(NC(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)c1C 483524443 VEVILAFVHBAEFB-MRXNPFEDSA-N 443.569 5.030 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3ccnc(Oc4ccccc4F)c3)c2)c1 486803655 RTHFZADAKDPYRK-UHFFFAOYSA-N 439.490 5.753 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 487839378 JURSPWYZOUDGON-QZTJIDSGSA-N 426.360 5.272 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(COc2c(C#N)cnc3ccc(C)cc23)cs1 488261806 GZRVMQCUDYPPGX-UHFFFAOYSA-N 448.935 5.788 30 20 IKED Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 490499760 RLXOIICCYKVNNC-NVXWUHKLSA-N 425.945 5.106 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F 494109737 VZLPLWIWZFNKEK-UHFFFAOYSA-N 433.402 5.603 30 20 IKED N#Cc1cc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)ccc1Cl 494680165 RRMVLHUXRNYQDY-NRFANRHFSA-N 438.314 5.365 30 20 IKED N#Cc1cc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)ccc1Cl 494680166 RRMVLHUXRNYQDY-OAQYLSRUSA-N 438.314 5.365 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccc(F)cc1)C1CCOCC1 494754086 UKZRBRAYTYXXBV-KRWDZBQOSA-N 427.545 5.291 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1nc2ccccc2n1C(F)F 496336503 DJCPHTZQFCJIAD-AWEZNQCLSA-N 445.347 6.200 30 20 IKED N#C[C@@H](C(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1)c1nc2ccccc2o1 496611906 NDUBRCKSCMODHV-SFHVURJKSA-N 440.846 5.688 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](c4ncc5n4CCCC5)C3)cc2)cc1 502214017 LHKJAGRPEXWATB-FQEVSTJZSA-N 441.535 5.295 30 20 IKED CCN(C(=O)CCc1ccc(C#N)cc1)[C@H]1CCSc2ccc(Br)cc21 504592154 JXMRAOLJXVYVKT-IBGZPJMESA-N 429.383 5.339 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 504967747 UJJQRACUAXDYAF-DEOSSOPVSA-N 435.955 5.425 30 20 IKED C=CCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)cc1OC 505557566 KNWMDVDBAOZMHB-UHFFFAOYSA-N 429.476 5.064 30 20 IKED COc1ccc(C(=O)CCCC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 505677814 NQTYOKWJTYZLMN-UHFFFAOYSA-N 444.487 5.359 30 20 IKED N#CCSCC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1cccc(C(F)(F)F)c1 512217826 IUSPNZSEVNEGTO-UHFFFAOYSA-N 446.416 5.510 30 20 IKED COc1ccc(-c2ccc(C)c(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)c2)cn1 512984139 BBCUBGNGTVAOOB-UHFFFAOYSA-N 439.471 5.362 30 20 IKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[C@H](C#N)c1nc2ccccc2n1C 513676485 GCQIUVASZBVJJM-LBPRGKRZSA-N 425.275 5.334 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 516706084 IHDUAFXEQHJUGK-HNNXBMFYSA-N 440.425 5.145 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3nnn(-c4cccc(Cl)c4)c3C)n2)cc1 518175808 HJSJKNJTJRHRGT-GOSISDBHSA-N 433.924 5.151 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4cc(Br)ccc4o3)n2)cc1 518516524 ITFUIBZPEQZVHC-INIZCTEOSA-N 448.301 5.681 30 20 IKED CCOc1c(Cl)cc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC 518755853 OZJUVRPFHJRDBI-AWEZNQCLSA-N 433.961 5.463 30 20 IKED COc1ccc(Cl)cc1N1CC[C@H](NC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 519449940 PKNUPXRXUVPZAO-WBVHZDCISA-N 444.988 5.001 30 20 IKED Cc1ccc(-c2ccncc2)cc1N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 523911004 MDGOIZMPHMNRMD-QGZVFWFLSA-N 430.577 5.698 30 20 IKED CC(=O)Nc1cccc([C@@H](C)NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1 536377121 GQMCHLQDZLVTNP-OAHLLOKOSA-N 433.895 5.453 30 20 IKED CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccc(C2(C#N)CC2)cc1 537482570 VBTLJMUHIOXQDV-UHFFFAOYSA-N 430.527 5.256 30 20 IKED CN1CCC[C@@H](CNC(=O)c2ccccc2Oc2ccccc2C#N)[C@@H]1c1cccs1 537557192 GSHJCBHKRNHPLB-YADARESESA-N 431.561 5.225 30 20 IKED C[C@H](CCO)C1(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCC1 538343889 PXCDFQVUFBSJJS-UTKZUKDTSA-N 425.960 5.306 30 20 IKED Cc1cc(C)cc(-n2nc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cc2C)c1 539634112 GEJHZIVFXLUALS-UHFFFAOYSA-N 437.503 5.417 30 20 IKED Cc1c(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cccc1[N+](=O)[O-] 542004132 CKKWJRHRXOKFIJ-ZWKOTPCHSA-N 428.492 5.120 30 20 IKED CN(C(=O)NCc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 542758127 RVWUYFFHEFNJEP-RSXGOPAZSA-N 443.522 5.426 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)cc1 544241257 VFGLJVDCCHRGOJ-QHCPKHFHSA-N 438.575 5.348 30 20 IKED Cc1ccc(Oc2ncccc2-c2noc(-c3cccc(C#N)c3)n2)c(Br)c1 546547873 PQLRPWILCDWQIC-UHFFFAOYSA-N 433.265 5.534 30 20 IKED N#Cc1ccc(C(=O)CNC(=O)c2c(Cl)cccc2Oc2ccccc2Cl)cc1 552325713 AMXQYRNRGRWHOS-UHFFFAOYSA-N 425.271 5.270 30 20 IKED Cc1cc(Cl)c2ncc(C#N)c(NCc3csc(CNC(=O)c4ccccc4)n3)c2c1 554933669 MFCNPRVBPNMOEW-UHFFFAOYSA-N 447.951 5.067 30 20 IKED CC1(C#N)CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@@H]2CCCO2)CC1 555409497 GILNOFCKQSTXKI-HNNXBMFYSA-N 441.988 5.122 30 20 IKED C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 560576783 WWPAWRXHAUFWTJ-AWEZNQCLSA-N 446.353 5.366 30 20 IKED N#Cc1cccc(-n2ccc(C(=O)N3CCC(c4ccc(Cl)cc4Cl)CC3)n2)c1 560931149 LLIVPDDDKHNLIQ-UHFFFAOYSA-N 425.319 5.071 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc(-c2cccc(Cl)c2)c(C)s1 562850301 CMLMHZJZAGAERD-UHFFFAOYSA-N 427.961 5.070 30 20 IKED N#Cc1ccc(NC(=O)N2CCC(c3noc4cc(F)ccc34)CC2)cc1Br 571309899 GMIXNLPSKRAKFN-UHFFFAOYSA-N 443.276 5.013 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1OC1CCCC1 576189698 RDBVGXRASDUVFY-MRXNPFEDSA-N 425.435 5.251 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1ccc(C#N)c(C(F)(F)F)c1 582686337 NNDKTIBNSDOMDQ-AWEZNQCLSA-N 433.455 5.013 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@H](c2ccccc2)c2ccccc21 582944563 ZAZPQNXXOGQKHW-GHTZIAJQSA-N 441.556 5.198 30 20 IKED N#C[C@H](C(=O)c1ccccc1SCc1cscn1)c1nc2cc(F)ccc2s1 592974517 SMEKEAQNXIYYIO-OAHLLOKOSA-N 425.535 5.674 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2N2CCCC2)cc1Cl 604362521 YIRBMDUIBDXFEN-HSZRJFAPSA-N 444.966 5.917 30 20 IKED Cc1c(C#N)c(NC(=O)CN(C)C[C@H]2CCCO[C@@H]2c2ccccc2)n(C2CCCC2)c1C 604521384 GTYMOGVWEASHJR-ATIYNZHBSA-N 448.611 5.130 30 20 IKED CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 609054668 GQBIFOPEXKSGNV-UHFFFAOYSA-N 429.398 5.067 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(O[C@H](C)c2ccccc2)cc1C 609080037 ACIQEOCIQLDHTN-OAQYLSRUSA-N 443.547 5.687 30 20 IKED CSc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 609379279 VHYTYJMAKJCEJT-UHFFFAOYSA-N 432.514 5.234 30 20 IKED C[C@H](NC1(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)CCCC1)c1ccccc1 609469982 XZSFHEJPFGVITC-UXHICEINSA-N 436.625 5.723 30 20 IKED CCO[C@@H](C)c1nc(CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cs1 609754905 NPPAMOCWQHZMKI-LBPRGKRZSA-N 443.516 5.446 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609761298 AOCLELFWHXNTKS-UHFFFAOYSA-N 447.447 5.065 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCc2ccc(-c3ccccc3F)o2)c1C 610053721 SGOGERSPGPPSIC-UHFFFAOYSA-N 428.467 5.331 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)cc1 610152802 JKOQWWFRHVUYGF-SJORKVTESA-N 442.359 5.151 30 20 IKED COc1ccc2[nH]cc(C3CCN(C(=O)c4c(Cl)cc(C#N)cc4Cl)CC3)c2c1 611097200 WUUPYZHHQVFBDY-UHFFFAOYSA-N 428.319 5.375 30 20 IKED C[C@H](NCc1nnnn1-c1ccc(C(F)(F)F)cc1)c1ccc(-c2cccc(C#N)c2)cc1 611807138 METSLOKWFJJTPM-INIZCTEOSA-N 448.452 5.071 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc2)nn1 611820455 KDYZBNNOXFMLCM-IBGZPJMESA-N 449.514 5.999 30 20 IKED CCN(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@@H](c1cccnc1)c1ccc(F)cc1F 619113278 SAFCIGPNUDTPDE-DEOSSOPVSA-N 444.441 5.138 30 20 IKED C=CCn1c(Sc2cc(-c3ccccc3)nc3ncnn23)nnc1-c1ccc(Cl)cc1 641848518 QNDAHWNQXZVFJB-UHFFFAOYSA-N 445.939 5.040 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)c1cc(C(F)(F)F)ccn1 643779381 GUECNZODSFYCOX-IBGZPJMESA-N 432.405 5.443 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(OCc2ccccc2F)CC1 678185995 MCIGOGNFTYSMKO-UHFFFAOYSA-N 437.433 5.231 30 20 IKED C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 679595798 FTIYSCBQSFXLKM-LMLFDSFASA-N 428.339 5.268 30 20 IKED CC(C)(c1ccc(NC(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1)C(F)(F)F 683234419 FKAYQDQWJQSHEY-VXGBXAGGSA-N 436.318 5.731 30 20 IKED COc1ccc2oc(C)c(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)c2c1 727751140 MBTVHLCDCSDXAJ-QHCPKHFHSA-N 426.472 5.324 30 20 IKED Cc1nn(CN(Cc2ccc(C#N)cc2)CC(C)C)c(=S)n1CCc1cccs1 727822265 FCHCDPRHSLLXLE-UHFFFAOYSA-N 425.627 5.014 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])cc2Cl)c1 727998784 CCEMRUCINAXXND-UHFFFAOYSA-N 443.793 5.229 30 20 IKED Cc1cccc(NC(=O)[C@@H](OC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C(C)C)c1C 728109481 QYUYEHBKBJBDSL-DEOSSOPVSA-N 446.503 5.167 30 20 IKED Cc1ccc(-c2csc3nc(/C(Cl)=C/c4ccc(O[C@@H](C)C#N)cc4)nc(O)c23)cc1 728696018 KLVWURIVXSQDED-PFHZTYADSA-N 447.947 6.400 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccccc3Cl)C2)cc1 729036803 ROFFSZSRCKTVGB-VWNXMTODSA-N 431.923 5.601 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(N2CCOCC2)cc1 731399388 ABQGRCAMWWNSEY-LJQANCHMSA-N 442.519 5.070 30 20 IKED Cc1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1C 732377148 BBANVUSRIRBYHZ-IBGZPJMESA-N 428.488 5.346 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCCCOc3cccc(C#N)c3)n2)cc1 732496611 CCUGKFXULOZBOZ-OAQYLSRUSA-N 431.517 5.116 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)c1 733244512 JTRFRDCNZUUOEG-UHFFFAOYSA-N 446.850 5.218 30 20 IKED CCCN(C(=O)NCc1ccc(OC)c(O[C@H](C#N)CC)c1)[C@H](C)c1cc2ccccc2o1 733653774 MBOKQGWVQSLIRU-NQIIRXRSSA-N 449.551 5.805 30 20 IKED N#Cc1cnc2ccccc2c1OCCOC(=O)c1ccc(Oc2ccncc2)c(Cl)c1 734084433 RLMVDEIUNFAACB-UHFFFAOYSA-N 445.862 5.183 30 20 IKED C=CC[C@@H](NC(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1)c1ccncc1 734457870 QNAVILUQXOPNJS-LJQANCHMSA-N 440.341 5.174 30 20 IKED C[C@@H](OC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nnc(-c2cccs2)o1 734585543 GEFKVKPVWOQLAP-OAHLLOKOSA-N 431.473 5.167 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)cc1 735792038 GSNKGQKTXXYWGT-QFIPXVFZSA-N 448.526 5.837 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(Cl)cc2-n2cccc2)ccc1OC 740454743 RMIRTNPXNOAYNG-SFHVURJKSA-N 438.915 5.142 30 20 IKED Cc1csc(-c2cccc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c2)n1 740536928 ZOSMZYWHPQILBP-QGZVFWFLSA-N 430.316 5.387 30 20 IKED Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccccc2-c2ccccc2C#N)c(Cl)c1 744516523 QYEHHZBFQPARJI-KRWDZBQOSA-N 432.907 5.680 30 20 IKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 744936005 KZEJYRHZYLEBMX-LBPRGKRZSA-N 446.315 5.087 30 20 IKED C/C(=C\C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccccc1C(F)(F)F 745274654 VCIYXRZZYALBTO-IYOXOMEYSA-N 448.416 5.126 30 20 IKED C#CCOc1cccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)c1 748946568 FSGSHBHCUQDQGJ-QFIPXVFZSA-N 429.520 5.846 30 20 IKED CC(=O)N(c1nc(COC(=O)C2(C#N)CC(C)C2)cs1)c1c(C)cc(C)cc1Cl 767422842 PDIBEKCHYOLXTC-UHFFFAOYSA-N 431.945 5.081 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1 772084872 FMEDVPRFYWCVRQ-UHFFFAOYSA-N 425.485 5.079 30 20 IKED C=CCCC(=O)Nc1ccc(COC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)cc1 774569360 DCIIUVNBDDJGFT-UHFFFAOYSA-N 442.515 5.225 30 20 IKED Cc1nc(NC(=O)Cc2ccccc2CC#N)sc1-c1nc2ccccc2n1C(F)F 776768483 JASFAFQKQQQJEO-UHFFFAOYSA-N 437.475 5.111 30 20 IKED C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1cc2cc(Br)ccc2o1 777114964 MXSRBJWSNQQODL-AWEZNQCLSA-N 440.341 5.201 30 20 IKED C[C@H](OC(=O)c1csc(-c2cccc3ccccc23)n1)C(=O)Nc1cccc(C#N)c1 778191353 LSMYZNUURAKZRG-HNNXBMFYSA-N 427.485 5.019 30 20 IKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OC1CCC(Nc2ccc(C#N)cc2C)CC1 779234692 OTQLWCQGYKSSTN-JGZAQREWSA-N 443.547 5.097 30 20 IKED Cc1sc2ncn(N=Cc3ccc(Oc4ccccc4)o3)c(=O)c2c1-c1ccccc1 779760854 YHXVNIABAWUISU-UHFFFAOYSA-N 427.485 5.701 30 20 IKED Cc1cc(NC(=O)Nc2cc(C)n(CCC#N)n2)ccc1-c1ccc(Br)cc1 782843848 ARWWWPYAGGLZOC-UHFFFAOYSA-N 438.329 5.487 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1c[nH]c2ccccc12 786303590 IMABSSXTMIJLOG-CXAGYDPISA-N 427.476 5.324 30 20 IKED C#CCOc1ccc(NC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 786922066 HHMCUYRNWZTZGL-UHFFFAOYSA-N 430.291 5.017 30 20 IKED C[C@@H](NC(=O)[C@@H](C#N)C(=O)c1cc(Br)cs1)c1ccc(Cl)cc1Cl 787048321 AXZCLGIDKFMLSS-PELKAZGASA-N 446.153 5.017 30 20 IKED N#CC1(N(C(=O)c2cc(Cl)nc(Oc3ccc(Br)cc3)c2)C2CC2)CCC1 791003862 WEZJHHSZLIGVKR-UHFFFAOYSA-N 446.732 5.341 30 20 IKED C[C@]12CCN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)C[C@H]1C2(Cl)Cl 791185417 POJBLJBWGBULPY-QUCCMNQESA-N 435.738 5.660 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc(Cl)c1Br 793120216 RWHGTHSIWXTYAQ-AWEZNQCLSA-N 429.701 5.406 30 20 IKED CC(=O)N(c1nc(COC(=O)C[C@@H](CC#N)c2ccccc2)cs1)c1cccc(C)c1C 795988647 ZMDYUORHOBGZIL-OAQYLSRUSA-N 447.560 5.575 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)s1 797570219 DUARQMKHNLLWKK-CTNGQTDRSA-N 447.560 5.285 30 20 IKED N#CC1(CCCOC(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)CCOCC1 800164454 LEHBCYJDNOGBOW-NRFANRHFSA-N 431.891 5.243 30 20 IKED O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc(-n2ccnn2)c1 806575612 HXNBTOOKUXSQBA-VAWYXSNFSA-N 428.879 5.069 30 20 IKED Cc1ccc(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(Cl)n1 806774731 FFMTUPIPCBQEFK-UHFFFAOYSA-N 426.303 5.329 30 20 IKED O=C(/C=C\c1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1ccc(Br)nc1 811696246 LHMBQTVNDOGAIO-CLTKARDFSA-N 436.231 5.004 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(Cl)c(F)cc1Cl 815505101 XCBZCFDJEBNCEW-LLVKDONJSA-N 441.311 5.322 30 20 IKED CCCCCCn1nc(C(=O)[C@H](C#N)c2nc3ccccc3s2)c2ccccc2c1=O 916627129 XSRLKCRJVLSWTE-SFHVURJKSA-N 430.533 5.077 30 20 IKED N#C[C@@H](C(=O)CCSc1nc2ccccc2s1)c1nc2ccccc2n1C(F)F 917040567 MPEPAEZSJFUVEY-LBPRGKRZSA-N 428.489 5.400 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CSc3ccc4ccccc4c3)n2)cc1 920140797 BMPKFRCFLBVNNL-OAQYLSRUSA-N 430.554 5.940 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(Cl)c(F)c1 921255492 TUJZTXHKFVLCON-UHFFFAOYSA-N 432.307 5.762 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCc4ccoc4C3)cc2)CCC1 1786217136 YDCJXPXOCLJYIH-OFNKIYASSA-N 432.564 5.287 30 20 IKED C[C@@H]1CCC[C@@H]1C(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788650502 DLTVRQUVVBFPTR-VSADUAAZSA-N 436.577 5.057 30 20 IKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)C34CC(F)(C3)C4)CCC2)cc1 1789507474 CJWIXBZTLGGKLV-UHFFFAOYSA-N 440.635 5.064 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3ccc4occc4c3O)CCC2)cc1)C(F)(F)F 1791304502 COSBZSUXFSTTAI-UHFFFAOYSA-N 444.409 5.005 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3ccccc3o2)[C@H]1c1cccnc1 1809242546 DFGDNJXUAHWVGH-ZJSXRUAMSA-N 445.563 5.140 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(F)ccc3[nH]2)n[nH]1 1818992440 HVXJHDKWEXBCER-PGRDOPGGSA-N 449.530 5.104 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)c(F)c2)CC1 1829968640 IPJCAUBIEQHHDU-VWNXMTODSA-N 426.576 5.136 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)ccc2C)CC1 1830625601 UAIKZYCXVBBEPI-UKILVPOCSA-N 438.612 5.005 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1830994951 KFMODMBLSKBUGA-VGOFRKELSA-N 442.003 5.267 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccc(Cl)cc1 10240430 APANPWCEVISTIX-KRWDZBQOSA-N 441.000 5.829 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2cccc(C)c2)cc1 11268918 VPLKUKONIBPRHV-UHFFFAOYSA-O 444.407 6.203 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(Nc3cccc(F)c3)s2)c1 22171453 CSMJFAMDHYQWBJ-UHFFFAOYSA-N 441.557 5.077 30 20 IKED C=C(C)CN(CC)C(=O)[C@H](C)Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 23603146 VMNDLZNRLXJJQP-SFHVURJKSA-N 438.572 5.038 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1sc(-c2ccc(F)cc2)nc1C 27000290 BDOFQRFJEHEJRD-OAHLLOKOSA-N 444.553 5.079 30 20 IKED C=CCn1c(SCCC(=O)Nc2cccc(Br)c2)nnc1-c1ccccc1 59776035 LFOLVHBVRAGHEJ-UHFFFAOYSA-N 443.370 5.015 30 20 IKED C=CCOc1cccc(N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c1 62238472 JZAMUKVEBORVAV-QFIPXVFZSA-N 437.883 5.605 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C 63391740 DEIZXIXJANEOAH-UHFFFAOYSA-N 444.491 5.376 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2cccs2)n1)c1nc(-c2c(F)cccc2F)cs1 64715061 MVMYGSDLUHFJPZ-JTQLQIEISA-N 429.498 5.763 30 20 IKED C[C@@H](NC(=O)c1ccccc1Sc1ccc(Br)cn1)c1ccc(C#N)cc1 108617749 GPJGOWLNWBTNPE-CQSZACIVSA-N 438.350 5.358 30 20 IKED COc1ccc(/C=C2/N=C(SCCCC#N)N(c3ccc(OC(F)F)cc3)C2=O)cc1 206803392 HFYAQZYRDWETKA-XMHGGMMESA-N 443.475 5.077 30 20 IKED N#Cc1ccc(C(F)(F)F)c(NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 302428061 PAXKPIUUQSEMDX-UHFFFAOYSA-N 441.375 5.313 30 20 IKED CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)CSc2ccc(C#N)cc2)c1 303125128 AAUJMQFTGZNEPS-LJQANCHMSA-N 443.572 5.399 30 20 IKED CC(C)n1cnnc1[C@H]1CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 303534000 SHASOLOBDZVULP-NRFANRHFSA-N 445.592 5.043 30 20 IKED C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)o1 409819595 WMLNCBRHPBRMCS-GMWXCSQMSA-N 428.507 5.746 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CO[C@@H]2CCCc3ccccc32)cc1 430417773 VMEKLSOVDQBSRB-AREMUKBSSA-N 426.516 5.364 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(Br)c(Cl)c1F 435866434 VKVCEAVNHGEDHP-JTQLQIEISA-N 427.726 5.746 30 20 IKED Cc1ccnc(Oc2cc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)ccc2C)c1 438671007 FHCHSRHAFZHEIQ-XZOQPEGZSA-N 426.520 5.794 30 20 IKED Cc1c(Cl)cccc1-n1c(SCC(=O)c2cccc(C#N)c2)nnc1-c1ccncc1 439041867 IXBHUQCQTJZXKQ-UHFFFAOYSA-N 445.935 5.138 30 20 IKED N#CCC[C@@H](NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1ccccc1 439678101 MHAYBQHRJTUNPD-HXUWFJFHSA-N 425.941 5.079 30 20 IKED CCCc1c(NC(=O)[C@H](OC2CCCC2)c2ccccc2)cnn1-c1cccc(C#N)c1 440079223 WZSDTMYCZUFJOH-RUZDIDTESA-N 428.536 5.335 30 20 IKED N#Cc1ccc(NC(=O)C(=O)Nc2cccc(OCc3ccc(Cl)cc3)c2)c(Cl)c1 440301321 DDKBAIYSXGXCLD-UHFFFAOYSA-N 440.286 5.021 30 20 IKED COCCc1nc2cc(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)ccc2o1 440369179 VXZXFEHTXXWMFG-UHFFFAOYSA-N 428.448 5.325 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCC(=O)c2ccc(F)c(F)c2)cc1 446144676 IOHLUYFRAFLWOS-UHFFFAOYSA-N 436.414 5.239 30 20 IKED CCCOc1cccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 446745999 RLOVUPADGUCLCD-JOCHJYFZSA-N 447.922 5.361 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(Cc3cccc(OCCCC#N)c3)C2)n1 447068066 NLGMLTCRDXEUOM-NRFANRHFSA-N 447.604 5.881 30 20 IKED Cn1ccnc1CC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 448371929 CFMWARAQWJPUPX-JOCHJYFZSA-N 447.970 5.216 30 20 IKED CSc1nc(C2CC2)nc(C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 461996011 PFSQDHCVUGVGFS-UHFFFAOYSA-N 444.560 5.396 30 20 IKED Cc1nn(C)c2ncc(CNc3ccc(Oc4ccc(C(F)(F)F)cc4)c(C#N)c3)cc12 462190435 PTMWEQJJBOFXEI-UHFFFAOYSA-N 437.425 5.572 30 20 IKED CCO[C@@H](C)c1ncc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)s1 463750142 OWUFLVWYJLHELJ-NSHDSACASA-N 429.489 5.517 30 20 IKED N#C[C@H](C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccn1 464423981 FXIFDVDXVATNFN-LBPRGKRZSA-N 426.238 5.628 30 20 IKED CC[C@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nc(C(F)(F)F)cs1 465187061 QCFMNZRIVTVJMA-INIZCTEOSA-N 449.429 5.846 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 465771457 UZPDVUKOVKPZHR-RPBOFIJWSA-N 444.579 5.187 30 20 IKED Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 466083341 LNOOVOUQFRJRTJ-CQSZACIVSA-N 437.931 5.107 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)c2cn(C(C)(C)C)nc2C)cc1 467158772 NMEASUZSPLCIIO-INIZCTEOSA-N 447.539 5.502 30 20 IKED Cn1cc(-c2ncccc2NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cn1 468270651 OUIMTVRMBYLWOB-UHFFFAOYSA-N 429.867 5.052 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 468460559 OJONMESDWNPXHE-QFIPXVFZSA-N 444.604 5.409 30 20 IKED N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(SCc3ccccc3Cl)cn2)cc1 472519617 UKPSSMZMNQBCDZ-IBGZPJMESA-N 432.936 5.220 30 20 IKED C[C@@H](c1ccccc1)[C@@H](C)NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 473547054 XSBOBVWTKFUNHU-RTBURBONSA-N 443.572 5.211 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N(CCc3ccccc3)[C@H]3CCOC3)cc2)cc1 475645887 DHXAPXJRARPPTO-DEOSSOPVSA-N 426.516 5.019 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCCc3c(O)cccc32)cc1 479263238 ZUGXVXZKUVARKI-DEOSSOPVSA-N 427.504 5.236 30 20 IKED CCN(C(=O)[C@H](C)Oc1ccccc1C#N)[C@H](c1cccnc1)c1csc2ccccc12 480975006 XTJTVGUHLLXQES-AVRWGWEMSA-N 441.556 5.573 30 20 IKED C=CCn1c(SCc2nc(-c3ccc(OCC)cc3)no2)nnc1-c1ccccc1C 481385738 FLHYIBDHCMVBMP-UHFFFAOYSA-N 433.537 5.181 30 20 IKED C[C@H](C#N)CN(C)C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482343240 HBVLORFBQXKRAP-PRHODGIISA-N 435.290 5.129 30 20 IKED CC[C@H](C)n1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C 482578274 GODPPVDNAHAJHU-XHDPSFHLSA-N 433.364 6.083 30 20 IKED N#CCCC[C@H](NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1ccccc1 487594654 NPYBOFJOZYMHFC-SFHVURJKSA-N 428.410 6.010 30 20 IKED C=C[C@H]1CCCCN1C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1 488853763 JRVWLFJTRZEQEM-IBGZPJMESA-N 427.342 5.191 30 20 IKED C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1nc(C(F)(F)F)cs1 490064624 IECPMHRTLFMXSQ-LLVKDONJSA-N 442.532 5.043 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)cc1 490766589 FOZAJABIYRXDET-INIZCTEOSA-N 427.373 5.514 30 20 IKED CCn1c(NC(=O)c2sc(-c3ccc(Cl)s3)nc2C)nc2cc(C#N)ccc21 490790960 GXEYUKCZFYARQZ-UHFFFAOYSA-N 427.942 5.327 30 20 IKED CC1CCN(C[C@@H]2CCCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)C2)CC1 491649035 STLLCJQVFDXNQL-NRFANRHFSA-N 432.568 5.326 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1 492708694 XCPNLHFPMRQHEN-UHFFFAOYSA-N 434.506 5.302 30 20 IKED C=CCc1cc(C(=O)N(CC)[C@@H](c2ccc(C)cc2)c2cccnc2)cc(OC)c1OC 496535535 NGORFABVRGGMKH-VWLOTQADSA-N 430.548 5.387 30 20 IKED C=CCN(CCc1ccco1)C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 496691789 WCFYRWXEXKPETK-QHCPKHFHSA-N 436.939 5.052 30 20 IKED CC(C)c1nc([C@H]2CCCCCN2C(=O)Nc2cccc(C#Cc3ccccn3)c2)no1 501372628 GHQYMZDNHCYKFE-JOCHJYFZSA-N 429.524 5.137 30 20 IKED COc1ccc2c(CC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)coc2c1 501460645 GREUNPYECPOEIU-UHFFFAOYSA-N 426.472 5.268 30 20 IKED CC(C)Oc1ccccc1NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 502258293 PHECEZYUVSKZQE-UHFFFAOYSA-N 425.539 5.133 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 504923157 FHRONCZZBZBGME-FUHWJXTLSA-N 437.849 5.585 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1nc2ccccc2o1 505458382 UFKJMOYWOPNMCP-QGZVFWFLSA-N 438.418 5.538 30 20 IKED C[C@H]1CCN(CC(=O)Nc2sc3c(c2C#N)C=C(/C=C\c2ccccn2)CC3(C)C)C1 507205443 MVNCIJFRKZBDEH-QWPQOLDESA-N 432.593 5.073 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)CC2)c(F)c1 507664805 HZBUXWNFSDLSAR-NRFANRHFSA-N 446.353 5.584 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C2CC2)nc2onc(C)c12 508384996 CCWJVWDCORCOCI-UHFFFAOYSA-N 425.448 5.028 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@H](c2nccs2)C1 508840837 NHWBAQBYXAOYGG-RXVVDRJESA-N 445.592 5.598 30 20 IKED C=CCn1c(-c2cc(-c3ccc(C)cc3)nc3ccccc23)nnc1N1CCC(C#N)CC1 508930036 CZVYMOLQMAZWRJ-UHFFFAOYSA-N 434.547 5.395 30 20 IKED CCN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)C[C@@H](C)C2 509230279 RYEROGVAIYSEOU-GMQRBVGNSA-N 425.532 5.352 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)cc1 510518845 QXSJMDBKOHKZNN-MRXNPFEDSA-N 431.458 5.402 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccc(N3CCCCCC3)nc2)cc1 510661382 AAIMXMYRJRGALQ-UHFFFAOYSA-N 441.535 5.448 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(Cc3cccc(F)c3)CC2)cc1 511036844 WWOANQMUXIPJDK-UHFFFAOYSA-N 435.543 5.127 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC([C@H](F)c2ccccc2F)CC1 511106344 HCFNORPZKJZGOT-XDHUDOTRSA-N 443.563 5.439 30 20 IKED C[C@H](C#N)CN(C)C(=O)c1cc(/C=C\c2cccs2)nc2ccc(Br)cc12 512856077 JUBBGLNDBSCMGU-LMVHVUTASA-N 440.366 5.461 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N(Cc2ccco2)Cc2cccs2)c1 513477937 WANLJOPYMYANPX-UHFFFAOYSA-N 428.513 5.634 30 20 IKED Cc1ccc(C2(c3noc(/C=C\c4cn(CCC#N)c5ccccc45)n3)CCOCC2)cc1 515253770 SVVAKVMMZBPEPE-XFXZXTDPSA-N 438.531 5.513 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCC1(c2cc(C)ccc2OC)CCOCC1 516641469 PXPQIWXUHZJUFB-UHFFFAOYSA-N 449.016 5.165 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(Br)ccc1F 517461481 JBDCRVKTNIMEPQ-UHFFFAOYSA-N 447.251 5.865 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)CCCOc3ccc(Cl)cc3Cl)CC2)c1 517857895 QSFCOYDBXCXJCH-UHFFFAOYSA-N 433.335 5.094 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3c3cccc(Br)c3)cc2)nc1 521102203 OSMXQKFISUQYLB-NRFANRHFSA-N 448.320 5.485 30 20 IKED COc1ccc(Br)cc1S[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 525519035 KJHBOHOFGVEXJX-SNVBAGLBSA-N 425.735 5.102 30 20 IKED COc1ccc(Br)cc1SCC(=O)N(CCC#N)c1cc(C)cc(C)c1 525519147 VQPADANCZFIIFD-UHFFFAOYSA-N 433.371 5.114 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 532064996 YTHHACCLZWEKBB-UONOGXRCSA-N 426.383 6.165 30 20 IKED CC(=O)c1cc(F)c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c(F)c1 537450259 UVCOENIUCWTJKW-UHFFFAOYSA-N 426.806 5.737 30 20 IKED N#CC1(c2ccccc2)CCC(Nc2cccc(NC(=O)CCN3CCCCC3)c2)CC1 537718738 SZCUSVJLUAOWFM-UHFFFAOYSA-N 430.596 5.317 30 20 IKED O=C(CN[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)Nc1ccccc1OC(F)F 540520357 KPIDJVZYUFYBNK-HNNXBMFYSA-N 442.306 5.139 30 20 IKED COc1ccc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OCCCC#N 542019580 ZTVXHEGGLUQNAI-FQEVSTJZSA-N 425.532 5.767 30 20 IKED CC(C)S(=O)(=O)c1ccccc1NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542027445 ZFJZXOWMVMJANF-SFHVURJKSA-N 447.560 5.290 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)[C@H]3CC=CC[C@@H]3c3nc4ccccc4s3)n2)c(F)c1 542062101 OTOMNJHONXUEOS-IRXDYDNUSA-N 443.507 5.181 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)N1CCC(CC#N)CC1 543828178 NMYGNOAGTZHQDL-UHFFFAOYSA-N 444.457 5.424 30 20 IKED CNC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1Cl 543871910 FXCNWBFDGMKTKG-OAHLLOKOSA-N 432.911 5.121 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1F 544616526 WZGFJPYUNJDYTH-RDPSFJRHSA-N 449.457 5.671 30 20 IKED C=CCOc1ccc(/C=C\c2nc(Cc3coc(-c4ccc(F)cc4)n3)no2)cc1OC 545592983 BMHKFBYAVZQHOY-WZUFQYTHSA-N 433.439 5.198 30 20 IKED COc1cc(CNc2cc(CC#N)ccn2)ccc1OCc1cccc(C(F)(F)F)c1 545927792 CMNPEWKZZNTHEF-UHFFFAOYSA-N 427.426 5.366 30 20 IKED C[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)N1CCC(C#N)(c2ccccn2)CC1 548865684 ZQNPHVMUOPEDEA-FQEVSTJZSA-N 442.588 5.117 30 20 IKED Cc1ccccc1-c1nc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cs1 550812695 OTAISGWBYSVFLU-AWEZNQCLSA-N 437.496 6.010 30 20 IKED Cc1c(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cnn1C1CCCC1 553207670 WILVYLAUIATLNJ-UHFFFAOYSA-N 425.964 5.077 30 20 IKED C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 561403694 UOZYOGWTCMSPMM-GWCFXTLKSA-N 438.347 5.225 30 20 IKED COc1ccccc1-c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1Cc1ccccc1 566711615 JUPAHOCHHZMHTF-UHFFFAOYSA-N 447.542 5.167 30 20 IKED N#Cc1cccc(-c2cc(C(=O)N3CCc4nc(-c5ccccc5Cl)sc4C3)on2)c1 572033746 FUCXTRXBHGNSLK-UHFFFAOYSA-N 446.919 5.189 30 20 IKED O=C(c1ccoc1C(F)(F)F)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 575323890 JPBFQFYSPSSLSQ-UHFFFAOYSA-N 425.300 5.298 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)Nc2ccccc2OCc2cccc(Cl)c2)CC1 576360913 QUWZRQRTBUABAL-UHFFFAOYSA-N 446.938 5.403 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nccn1-c1ccccc1 582380458 AZVGPBCQCNSASW-LJQANCHMSA-N 438.556 5.527 30 20 IKED CCn1cc(Br)cc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 588737739 JOAHLFGIWLUVHV-LLVKDONJSA-N 436.281 5.162 30 20 IKED C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 589051409 KMCCDDMEDMGHSK-HBNTYKKESA-N 437.302 5.062 30 20 IKED CC[C@H](C)Sc1ccc(NS(=O)(=O)c2cccc(CC#N)c2)c(C(F)(F)F)c1 589586774 AKGKCPNEXQJSAV-ZDUSSCGKSA-N 428.501 5.463 30 20 IKED N#CCCC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1ccccc1 590068633 IOVSKFYOWUCTLF-TZIWHRDSSA-N 430.474 5.018 30 20 IKED C[C@H](Sc1n[nH]c(/C=C\c2ccccc2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 598953238 NRDUZBOKUXSYHO-LLNWESEBSA-N 449.605 5.296 30 20 IKED C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccccc1OC(F)F 603649111 WVLMKDVLGLMCOI-CYBMUJFWSA-N 428.464 5.090 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1nc(-c2ccc(CC(C)C)cc2)cs1 603965998 VQXTZGGTZREZGT-UHFFFAOYSA-N 434.565 5.169 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H](c2ccccc2)C(F)(F)F)cc1 604094906 WNMSNJYCBDPSMO-QFIPXVFZSA-N 439.437 5.757 30 20 IKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](CCc1ccccc1)c1ccccc1 604130281 WCZKGTMVFIIWTD-HHHXNRCGSA-N 440.591 5.006 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cccc(Nc3ncccn3)c2)cc1 604248853 PQAGBHIMRHOVPM-UHFFFAOYSA-N 437.478 5.074 30 20 IKED C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)Nc1ccccc1Br 604459713 HEIYHRITJDNVBQ-OAHLLOKOSA-N 436.309 5.552 30 20 IKED COc1cccc(C2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)CC2)c1 604525684 BNGMYXXMOUDVAT-UHFFFAOYSA-N 428.492 5.166 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCc3ncc(-c4ccccc4)o3)cc2F)c1 609103918 IQRVVAWQNOJAJZ-UHFFFAOYSA-N 441.462 5.503 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](Nc4ccccc4)C3)cc2Cl)cc1 609207279 NTANANCISOUIMD-FQEVSTJZSA-N 432.911 5.722 30 20 IKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(-c3sccc3C)o2)ccc1Cl 609296246 VSLXQTIMRCYTET-UHFFFAOYSA-N 432.958 5.107 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccc(Cl)cc1Br 609371102 YYMHREUNHWSIQX-LBPRGKRZSA-N 439.762 5.372 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@@H](c3ccc(Cl)cc3)c3cccs3)cc2)nc1 609502369 XCFRIUCJNCJUKH-QHCPKHFHSA-N 445.931 5.980 30 20 IKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)N[C@H](C)c1cccc(C#N)c1)CC2 610406470 BAVRVQSMBLBSLW-VOIUYBSRSA-N 447.560 5.055 30 20 IKED Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 611815206 AVJVQQZSEGZFHW-NRFANRHFSA-N 430.512 5.235 30 20 IKED C=CCc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(OC)c1OC 613320259 VTBIMPRFPNBLMB-GOSISDBHSA-N 438.936 5.699 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(COc4ccccc4C#N)o3)CC2)c(C)c1 613628615 XAIJRAOVOIXDHH-UHFFFAOYSA-N 442.515 5.082 30 20 IKED C=CCn1c(S[C@@H](C(=O)N(C)C2CCCCC2)C(C)C)nnc1-c1ccccc1OC 639429119 BREMTLNIZDOSDJ-OAQYLSRUSA-N 442.629 5.048 30 20 IKED Cc1noc(C(F)F)c1C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F 673700312 LUHTYCQGMPHGDQ-UHFFFAOYSA-N 434.308 5.846 30 20 IKED CC(C)(C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(Cl)c1F 681223001 FZCXRXLKSBVTMT-URLYPYJESA-N 433.795 5.782 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@H]1C[C@H](c2cccc(F)c2)C1 684804829 UILQKQUSOICWMV-RGCMKSIDSA-N 426.376 5.280 30 20 IKED COc1ccc(C(=O)/C=C\c2c(C(C)C)nn(-c3ccccc3)c2Cl)cc1NC(C)=O 726428292 JMWJNYXKWVKEEJ-QXMHVHEDSA-N 437.927 5.512 30 20 IKED CC(C)COC(=O)Nc1cccc(NC(=O)c2occc2COc2cccc(C#N)c2)c1 726504651 ZGJUTIIFCYDLKI-UHFFFAOYSA-N 433.464 5.187 30 20 IKED COc1ccc(/C=C2/CCc3nc(-c4ccc(C)cc4)sc3C2=O)cc1OCCCC#N 727655271 UYIKLPMZUVBWCF-HKWRFOASSA-N 444.556 6.022 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccnc1SC(F)F 728028394 HUJBDFSBBOESKL-UHFFFAOYSA-N 425.460 5.408 30 20 IKED N#Cc1cccc(COc2ccc(NCC(=O)Nc3ccccc3C(F)(F)F)cc2F)c1 728200817 PUKXVUMYKVDIRN-UHFFFAOYSA-N 443.400 5.346 30 20 IKED COc1cc(/C=C2\CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)ccc1OCC#N 728438200 BZAWCAMYFOZDHP-FOWTUZBSSA-N 436.920 5.587 30 20 IKED COc1cccc([C@H](C#N)NC(=O)c2ccc(-c3nc4ccccc4s3)s2)c1OC 729427381 JILARSPEFBPSCP-HNNXBMFYSA-N 435.530 5.037 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@H]1c1csc(-c2cccs2)n1 731427874 OLFBHPJXQHHEDP-KRWDZBQOSA-N 431.995 5.044 30 20 IKED N#C[C@@H](NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc(Cl)c(Cl)c1 731645361 KHMAXCSFPFOXTF-MRXNPFEDSA-N 439.224 5.193 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 732900699 VDYGFKNZLCKUGW-SFHVURJKSA-N 426.806 5.372 30 20 IKED Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccnn3-c3ccc(C#N)cc3)cccc2c1=O 733114027 KHJSROPMTKWSLP-UHFFFAOYSA-N 446.466 5.078 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)ccc1OC 733617832 MUQVGIPVVFLVKQ-NRFANRHFSA-N 445.519 5.799 30 20 IKED C#CC[C@H](OC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1ccccn1 733693064 SDGOUQMABCOAHD-NRFANRHFSA-N 449.304 5.018 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccccc2SCc2csc(C)n2)c1 733770307 FRLSNJBDQPADQR-LJQANCHMSA-N 437.590 5.355 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2ccc(-c3csc(C)n3)cc2)c1 733800274 XTKDVWSMKZBJOA-IIBYNOLFSA-N 434.565 5.360 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(Cl)c2SC(F)F)c1 733844173 HEZDXNDKRGEZED-CYBMUJFWSA-N 425.888 5.657 30 20 IKED CC(=O)N(c1nc(/C=C2\CCc3nc(-c4ccc(C)cc4)sc3C2=O)cs1)C1CC1 734304474 KQOSRIAFFSDXEP-LFIBNONCSA-N 435.574 5.303 30 20 IKED COc1cc(COC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)ccc1OCc1cccc(C#N)c1 735134639 QQOOBYHGJDMPJQ-UXHICEINSA-N 447.453 5.558 30 20 IKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC[C@H](n3ccnc3)C2)c1=S 738160845 ZBOCSUHDBDSBDO-NRFANRHFSA-N 436.629 5.056 30 20 IKED Cc1oc(-c2ccccc2F)nc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 739158692 BPZKOHYFAQGJJZ-QGZVFWFLSA-N 428.448 5.274 30 20 IKED Cc1ccc(CN2C(=O)CC[C@H]2C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 744035401 RJLZIUKKKMSZOP-CTNGQTDRSA-N 449.963 5.139 30 20 IKED COc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1C#N 747244288 JMIGIYNNDWJWHS-OAQYLSRUSA-N 430.895 5.197 30 20 IKED CCN(C(=O)CC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 748336452 VGWVTCDJMIYVIY-VXRQHQKFSA-N 425.573 5.036 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1csc(-c2ccccn2)n1 749119258 OJSSIGAPGHCTBR-UHFFFAOYSA-N 428.492 5.371 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1 750597179 GLAZGYINIZCXEM-AOCRQIFASA-N 446.617 5.238 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 750691083 OGBPRACNJOJUNX-XXBNENTESA-N 448.567 5.111 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3ccc(C)cn3)cc2)cc1C#N 752248633 UYSMCWNDUJKKOE-UHFFFAOYSA-N 431.452 5.266 30 20 IKED CC[C@@H](CC(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccc(OC)cc1 752474634 XDHHRSTVEVQYTB-KBXCAEBGSA-N 435.549 5.044 30 20 IKED C=C[C@@H](CC(=O)OCc1csc(N(C(C)=O)c2ccc(C)cc2C)n1)c1ccccc1 758921922 VCNKVRLTIAWPHO-FQEVSTJZSA-N 434.561 5.848 30 20 IKED C[C@@H](C[C@@H](O)c1ccco1)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 759499120 SUVBSOQMYSNOFO-MGPUTAFESA-N 439.899 5.017 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccc(Cl)nc2)cc1Cl 761621329 MVNJCTKMLIDTNI-LJQANCHMSA-N 425.319 5.408 30 20 IKED N#C[C@@H]1C(CN2CC=C(c3ccccc3C(F)(F)F)CC2)=CC(=O)n2c1nc1ccccc12 763680319 GXYJXCFEYDZPCO-LJQANCHMSA-N 448.448 5.032 30 20 IKED CC(C)CN(Cc1ccccc1Br)C(=O)Nc1ccc(F)cc1OCC#N 766110655 VMKJAZPVRSRDRQ-UHFFFAOYSA-N 434.309 5.181 30 20 IKED Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)OC[C@@H](C#N)Cc1ccc(F)cc1 772654091 XCBZMNXTJXPEHK-OAHLLOKOSA-N 431.389 5.082 30 20 IKED C#CCCCCC(=O)N(Cc1ccc(Br)cc1)c1ccc(NC(C)=O)cc1 773362768 SGNMTMAAMPNZCX-UHFFFAOYSA-N 427.342 5.134 30 20 IKED COc1cc(CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)ccc1OC(=O)C1CC1 779595230 GFQHLXCCDRIEJE-UHFFFAOYSA-N 446.478 5.212 30 20 IKED COc1ccc(-c2cc(C(=O)Nc3ccccc3O[C@H](C)C#N)nn2-c2ccccc2)cc1 780147270 FKPXYBTXKKZZSQ-GOSISDBHSA-N 438.487 5.091 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccccc2)nc2ccccc12 780305551 LPQOMYHLZBHMMP-XMMPIXPASA-N 447.538 5.988 30 20 IKED C=CC[C@@H](NC(=O)N1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1)c1ccncc1 784527127 XGWRDKWMIPYPAM-HSZRJFAPSA-N 435.568 5.243 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)cc1 792229662 SJQOOVDFAVMFSN-DEOSSOPVSA-N 448.530 5.115 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)n2)cc1 796800318 WYUIADQNBAZHPZ-FQEVSTJZSA-N 444.535 5.222 30 20 IKED N#C[C@H](C(=O)C(Cc1ccccc1)Cc1ccccc1)c1nc2ccccc2n1C(F)F 798816022 FFJZXBHAZWGNRO-OAQYLSRUSA-N 429.470 5.709 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)N3C2=O)cc1Cl 804200368 GPFLBCMDHDBAOE-XWGVYQGASA-N 441.918 5.668 30 20 IKED CC(C)(C(=O)Nc1cc(-c2ccccc2Br)no1)c1cc(F)cc(C#N)c1 806842231 GWGDWQABUKOSLQ-UHFFFAOYSA-N 428.261 5.031 30 20 IKED N#C[C@@H](C(=O)Cc1cncn1Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 810530930 DAQFOSSVCBCZKS-FQEVSTJZSA-N 432.936 5.127 30 20 IKED CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N[C@H](CCCC#N)c3ccccc3)cc2CC1 817324824 PYWSWFZXQPYRCX-XMMPIXPASA-N 447.579 5.187 30 20 IKED C[C@H]1C/C(=C/c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)N(C)CCC#N)c2C1 843418615 GBIIGBRCGAKUIL-UQNFDQQLSA-N 438.575 5.409 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1 915352516 JQACMSDRVIEMQR-DEOSSOPVSA-N 433.515 5.540 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccco2)c(C)c1 916207632 HQOUJSSFYYTXJC-OAQYLSRUSA-N 433.533 5.057 30 20 IKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CCCC2)c1 916208229 WZXLOFYIGIMIDY-HXUWFJFHSA-N 443.519 5.176 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCC(=O)Nc2ccc(Cl)cc2)cc1 916708128 KJUYQGCOCSWSII-QHCPKHFHSA-N 446.938 5.536 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(COc2ccccc2)cc1 916901552 KPMDKUOEIZTPQP-HXUWFJFHSA-N 448.906 5.197 30 20 IKED CCOc1ccccc1CCC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916907667 KDZMQUDQBJNEOY-NRFANRHFSA-N 428.488 5.158 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 918173960 OECCDOKKXZACRN-UHFFFAOYSA-N 434.839 5.001 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)cc1OC 918609692 SGZJKWJPDATIFN-ZRDIBKRKSA-N 431.536 5.280 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C4SCCCS4)cc3)n2)cc1 920140332 BWWDUAJMTULMKG-IBGZPJMESA-N 447.610 6.041 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2nn(-c3ccccc3C)c3c2CCC3)cc1 920874973 IUCWCVCLAXVDEF-JTSKRJEESA-N 440.547 5.144 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCc4ccoc4C3)cc2)CCC1 1786217135 YDCJXPXOCLJYIH-NZQKXSOJSA-N 432.564 5.287 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccccc4O)cc3)CCC2)c1 1787199189 BFUKXZHNDPCGAL-SFHVURJKSA-N 439.515 5.081 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4cc(C)ccn34)CCC2)cc1 1789457949 HYXRMBYVLNRWSD-JOCHJYFZSA-N 442.563 5.159 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4ccoc4c3)cc2)CCC1 1790893322 LQJAWBQSJJVHQV-UHFFFAOYSA-N 432.520 5.163 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792127439 YQDZHLWGMVTVNO-KRWDZBQOSA-N 437.490 5.273 30 20 IKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2c1oc1ccccc12 1801203935 CMRMBVQNJJBFAF-ACDBMABISA-N 428.532 5.031 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(C(C)(C)C)nc3)C2)CC1 1804706828 MJGQHQHTCXOIPO-UHFFFAOYSA-N 439.644 5.216 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCCCC(C)(C)C)[nH]n1 1820976197 HSEVEYARQGDNOF-UYAOXDASSA-N 447.624 5.199 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)cccc2F)CC1 1829068777 PRDBTJUKYHGJBX-OAQYLSRUSA-N 432.555 5.191 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2Cl)CC1 1830570451 OPBPWKNCIJUSPB-UGKGYDQZSA-N 446.994 5.481 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)C)cc2F)CC1 1831374348 OMUKDQOSOCVZBA-NTKDMRAZSA-N 444.591 5.058 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(Cc3cccc(F)c3)c2)CC1 1831862055 MYVRSFSBIUFACD-AREMUKBSSA-N 448.582 5.226 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1ccc(-c3ccccc3)c(F)c1)C2 1844202988 NVXWNWNEJQUHGU-JOCHJYFZSA-N 432.539 5.078 30 20 IKED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cccc3c2oc2ccccc23)C1 1845735319 SSUNPDIINXSHTO-UHFFFAOYSA-N 430.548 5.395 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)Nc1ccc(C)cc1C 10168878 MHPGVHRPPLFFAL-UHFFFAOYSA-O 431.625 6.328 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)Nc1cccc(C)c1 11268250 HGBWPCUJYHLVFP-UHFFFAOYSA-O 444.407 6.203 30 20 IKED N#CCCN(C(=O)COC(=O)c1ccc(CSc2ccccc2)cc1)c1ccccc1 23882467 OCDVPCBNCWEHRU-UHFFFAOYSA-N 430.529 5.083 30 20 IKED CC(C)n1c(Sc2ccc([N+](=O)[O-])cc2C#N)nnc1-c1ccc(Cl)cc1Cl 58458190 XYQKYNISHSNANL-UHFFFAOYSA-N 434.308 5.764 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)CCCOc3ccccc3Cl)s2)cc1 64868683 NGGVJNPJIMNFCN-UHFFFAOYSA-N 444.969 5.153 30 20 IKED COc1cc(C)c([C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OC 97335053 KUEVQSPGWTWWJF-SFHVURJKSA-N 446.572 5.667 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc(-c2ccccc2)no1 103975991 WKZZWZQTZJONJX-UHFFFAOYSA-N 439.928 5.039 30 20 IKED C[C@H](OC(=O)c1[nH]c2ccccc2c1Cl)C(=O)Nc1sc2c(c1C#N)CCCCC2 107534494 OZTNXPVLFCHYMF-LBPRGKRZSA-N 441.940 5.207 30 20 IKED COc1ccc(N(Cc2cccs2)C(=O)CCCOc2ccc(C#N)cc2OC)cc1 107775717 YSVGESCSXSBKOE-UHFFFAOYSA-N 436.533 5.029 30 20 IKED CCCOc1c(Cl)cc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)cc1OCC 208088457 TTWXIWHNPVQDAM-HJWRWDBZSA-N 429.900 5.380 30 20 IKED COc1ccc(CNC2(c3ccc(Br)cc3)CCC2)cc1OCCCC#N 237342647 FEUMVFGZLBTOOT-UHFFFAOYSA-N 429.358 5.309 30 20 IKED N#C[C@H](C(=O)c1cccc(Oc2ccccc2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 301760650 IYSVIFWUHKFRIH-LJQANCHMSA-N 441.512 5.558 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 303312664 RJJAUHJHFNRYPI-PELRDEGISA-N 441.641 5.522 30 20 IKED Cc1cnc([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)s1 429081346 MSUCINWTBOMGJC-AWEZNQCLSA-N 426.929 5.438 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)cc1 431811874 LWRGGQIDASDIDN-LJQANCHMSA-N 430.321 5.758 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)N[C@@H](CCCC#N)c1ccccc1 431926070 NZNUINLWDQGKQC-UTKZUKDTSA-N 436.556 6.053 30 20 IKED Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccccc1Cl 431980575 ITPUUISKNHUBMF-NRFANRHFSA-N 438.314 5.018 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)Nc1cccc(OCc2cccc(F)c2)c1 432468336 HNEPZQMALAFXOC-UHFFFAOYSA-N 431.467 5.024 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1)c1ccccc1 432985846 SNNNIDUUGRSCPG-LJQANCHMSA-N 435.915 5.824 30 20 IKED COc1cc(Br)cc(C)c1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 436150302 SLEZOHRUDKONOX-ROUUACIJSA-N 428.330 5.070 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 437841833 LVZPSALIPYUHBL-AOYPEHQESA-N 436.515 5.963 30 20 IKED N#Cc1cc(NC(=O)C(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)ccc1Cl 439619329 RLCQMYARRWCIGK-UHFFFAOYSA-N 449.860 5.140 30 20 IKED Cc1ccc(-c2cnc(CN(Cc3ccc(C#N)cc3)c3ccc4nc(O)[nH]c4c3)o2)cc1 440740055 KWBZNVRHBBJJAT-UHFFFAOYSA-N 435.487 5.310 30 20 IKED C=CCC[C@H](NC(=O)N1CCO[C@@H](c2cccc(O)c2)C1)c1ccc(C(F)(F)F)cc1 441546781 VKZYLAFNNOIAIH-LEWJYISDSA-N 434.458 5.201 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1ccc(Br)s1 443336619 WBGBDIVKBXPHHR-QWHCGFSZSA-N 438.416 5.052 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)N1CCC(C(F)(F)F)CC1 444027829 DYFUNSYLPWJDEH-ZDUSSCGKSA-N 436.318 5.683 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(CCO)[C@H]2CCc3ccccc32)cc1Cl 444031024 HJBJCRWCXNWBDN-NOZRDPDXSA-N 445.950 5.509 30 20 IKED N#CCCCn1cc(C(=O)Nc2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)c2ccccc21 444827063 QFGZPZOLLNCTEV-UHFFFAOYSA-N 438.413 5.001 30 20 IKED CC(C)Oc1ccc(N2C(=O)[C@@H](c3ccc(Cl)cc3Cl)N(C3CC3)C2=O)cc1C#N 445935307 QQZIEBGINYEOFO-HXUWFJFHSA-N 444.318 5.325 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC1(c2ccc(OC)c(F)c2)CCOCC1 446265834 HETDCBSHYSIFGH-UHFFFAOYSA-N 426.532 5.514 30 20 IKED Cc1nn(CC(C)C)c(C)c1CCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 460341505 XVSUJAPTYUYGRQ-UHFFFAOYSA-N 448.998 5.847 30 20 IKED COc1ccc(CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c2ccncc2)cc1 460377944 VDOZLUOZHTWRCF-UHFFFAOYSA-N 449.510 5.796 30 20 IKED Cc1ccc([C@@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)s1 461822988 BBBJKCGDZSJFPW-RTWAWAEBSA-N 433.581 5.097 30 20 IKED N#C[C@@H](C(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1cc(C(F)(F)F)ccn1 464414087 GKNDIDFLTRGMMI-MRXNPFEDSA-N 438.434 5.505 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)cc1 464860318 ZWXHTTRTNAOSSS-XMMPIXPASA-N 440.478 5.051 30 20 IKED C=CCOc1cccc(NC(=O)N(Cc2cccc(Br)c2)C2CCOCC2)c1 466404864 DFDKEMRTPYMKJN-UHFFFAOYSA-N 445.357 5.227 30 20 IKED CN(Cc1cc(Cl)cn1C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 467026053 WKWMWMBXCJYSDR-FQEVSTJZSA-N 427.335 5.651 30 20 IKED C[C@H](C#N)CSc1ccccc1NCc1ncc(-c2ccc(Br)cc2)o1 467262751 IDVZIUUKMHZTJZ-CQSZACIVSA-N 428.355 5.968 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(Sc3ccccc3Cl)nn2)cc1 467544937 ZAMGXGZTAKLBEL-UHFFFAOYSA-N 438.940 5.240 30 20 IKED CC(C)n1cc(C#N)c(NC(=O)c2oc3ccccc3c2CSCc2ccccc2)n1 468792305 BSFASLJWXWLQDJ-UHFFFAOYSA-N 430.533 5.768 30 20 IKED CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 470612463 NCUGBTDMFMGNTP-IEBWSBKVSA-N 435.877 6.190 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F 473810275 VTTYQLADSNLSPT-UHFFFAOYSA-N 428.867 5.337 30 20 IKED C=C(C)[C@H](NC(=O)N[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1)c1ccc(F)c(F)c1 477168554 IOCPIUSWGFYRSE-DJJJIMSYSA-N 430.430 5.140 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)cc1 477195240 PXGIDUNMJKMGET-UHFFFAOYSA-N 436.309 5.690 30 20 IKED CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)CCc1c(C)nn(CCC#N)c1C 478211539 LVGNDIFDDCKKFH-HSZRJFAPSA-N 447.627 5.095 30 20 IKED N#C[C@@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)c1cnc2ccccc2n1 483192929 HBRZTEKQDCOJJX-LJQANCHMSA-N 434.430 5.581 30 20 IKED C=CCSc1ccccc1NC(=O)CNc1cccc(NC(=O)c2ccccc2)c1C 486137677 NOFYXEYEAQZSLM-UHFFFAOYSA-N 431.561 5.576 30 20 IKED C[C@H](NC(=O)Nc1ccc(OC(F)F)cc1OC(F)F)c1nc(C(F)(F)F)cs1 488370279 VOCVRULBZHUXAE-LURJTMIESA-N 447.332 5.247 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(CCC2CCCCC2)o1 488859155 SEUCMFHXFYWZKK-INIZCTEOSA-N 444.626 5.565 30 20 IKED C[C@]12CCN(C(=O)N[C@@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)C[C@H]1C2(F)F 490175849 IDMVPFGHARQBGN-GUTXKFCHSA-N 430.339 5.386 30 20 IKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)Cc1cn(C)nc1-c1ccc(C#N)cc1 491073769 ATQSGNMSUFKWIU-UHFFFAOYSA-N 446.942 5.074 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(C)c(Br)c2)cc1C 492549758 LKTZZPWDPBVSEU-UHFFFAOYSA-N 437.341 5.404 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1 494050603 RALIBQLVXVHWMZ-FHZYATBESA-N 431.565 5.185 30 20 IKED C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)N3CCCN(c4ccccc4C#N)CC3)c2)C1 503366759 XTOFNKJLVNLWQH-SQJMNOBHSA-N 446.595 5.398 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)n1 505684275 VWGFXMWMRHEVLA-SFHVURJKSA-N 445.475 5.164 30 20 IKED CC(C)c1ccccc1NC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 505775630 CGXMCJRCYUTQSZ-MRXNPFEDSA-N 430.360 6.486 30 20 IKED N#C[C@H](NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1cccc(C(F)(F)F)c1 505911775 GBTOXOLKKJCSIT-SFHVURJKSA-N 431.801 5.541 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc2c(c1)CC(=O)N2 506207063 KXEFFMFIPYEUMV-YCRPNKLZSA-N 444.922 5.373 30 20 IKED CN(C)Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)oc2ccccc12 509651142 LMOZBVXUAUBQBA-NRFANRHFSA-N 443.934 6.056 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 510676126 WKFZUTABFGHDLA-OFNKIYASSA-N 440.547 5.616 30 20 IKED Cc1ccc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)c(OCc2ccccc2)c1 511500254 SGSBXSRJOVZYFM-UHFFFAOYSA-N 440.547 5.190 30 20 IKED Cc1c(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cnn1C1CCCCC1 511638207 FQHPANMIIVBTBH-VWLOTQADSA-N 428.536 5.270 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COc1ccc(Br)cc1Cl 517448772 JXNSHBXCQBVCAP-GFCCVEGCSA-N 439.762 5.372 30 20 IKED Cc1cccc(-c2noc(CSCC(=O)Nc3ccccc3S[C@@H](C)CC#N)n2)c1 518136930 JPUPNBDVHBIKAO-INIZCTEOSA-N 438.578 5.311 30 20 IKED C=CCN(C(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1)c1nc2c(s1)CCCC2 518170156 QBCVKMRUMLFMAU-UHFFFAOYSA-N 436.581 5.347 30 20 IKED C[C@@H](CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)Sc1ccc(Br)cc1 518835988 VPUQKKCMOIVLHV-AWEZNQCLSA-N 432.387 5.553 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 521259128 ILOGUQBZTVIZSO-UWJYYQICSA-N 443.016 5.550 30 20 IKED O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)Nc1cccc(C#Cc2ccccn2)c1 522071880 KRICKMOABJEOAY-UHFFFAOYSA-N 438.462 5.130 30 20 IKED CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 525345541 RMOQYYBOEDIBRU-HSZRJFAPSA-N 432.499 5.676 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 525567086 VNAUWOSOCYOXAZ-INIZCTEOSA-N 434.565 5.829 30 20 IKED COc1cc(CN[C@@H](c2ccccc2)c2nccs2)ccc1OCc1cccc(C#N)c1 532669081 BDBRTDIQCIMGIQ-VWLOTQADSA-N 441.556 5.482 30 20 IKED Cc1cc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)ccc1NC(=O)c1cccs1 533941054 CJRUJDCFWAHWEN-OAQYLSRUSA-N 431.561 5.601 30 20 IKED C=C[C@@H](CC(=O)N[C@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1 533956809 OAPMENBMDQOTTF-KDYSTLNUSA-N 447.600 5.218 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1cccs1)CC(F)(F)F 534129708 QDXNTTURPFVYEX-AWEZNQCLSA-N 427.517 5.145 30 20 IKED Cc1nnc(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)n1[C@H]1CCC[C@H](C)C1 535337670 SMFVQQIJSMGIQQ-JZXOWHBKSA-N 443.642 5.320 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1 536055071 FLFIPVUWWKSYRD-GOSISDBHSA-N 429.545 5.610 30 20 IKED N#Cc1cc2c(nc1NC(=O)c1ccc(Oc3ccc(C(F)(F)F)cn3)cc1)CCCC2 537168489 WGIVQPXZOHMZSE-UHFFFAOYSA-N 438.409 5.290 30 20 IKED Cc1nc(-c2ccc([C@H](C)NCC(=O)N(CCC#N)c3cccc(C)c3C)cc2)cs1 538179775 PYKLUODWDNGUER-IBGZPJMESA-N 432.593 5.333 30 20 IKED CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 540394217 JJLNOJWNTIICPS-UHFFFAOYSA-N 438.534 5.267 30 20 IKED N#Cc1c(Cl)cccc1SCC(=O)N1CCC(c2nc3ccccc3s2)CC1 541172243 KVNHLJQYFGZCBZ-UHFFFAOYSA-N 427.982 5.320 30 20 IKED CC[C@@H](C)n1ncc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C1CC1 542030079 JOAXAYDTDMVHNW-QZTJIDSGSA-N 427.552 6.153 30 20 IKED Cn1cc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(-c2ccccc2)n1 542988276 IFQPDPROOOIILT-UHFFFAOYSA-N 438.556 5.181 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 543880201 GXKSJNWLABZIHS-CABCVRRESA-N 437.491 5.165 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCC(=O)Nc1sc(C)c(C)c1C#N 544479532 VPRBKUMPJUAZDW-GFCCVEGCSA-N 428.558 5.097 30 20 IKED CO[C@@H](C)c1nc(Cc2noc(-c3ccc(Sc4ccccc4C#N)cc3)n2)cs1 546530195 PKVHMNVNQLLORE-AWEZNQCLSA-N 434.546 5.514 30 20 IKED COc1cc(CNC(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)ccc1C#N 557557071 OSQUBTBALPISBT-INIZCTEOSA-N 445.363 5.079 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccccc1SCc1c(C)noc1C 557603233 KCOSYIMCVLKBJS-UHFFFAOYSA-N 438.597 5.580 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(OC)c1 560728565 OTNRJKNZTYORJX-DEOSSOPVSA-N 443.503 5.737 30 20 IKED COc1ccc([C@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C(F)(F)F)cc1 569974526 XHSQVSOKLMSAIP-FQEVSTJZSA-N 442.397 5.179 30 20 IKED CCn1ncc(NC(=O)N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)c1C(F)(F)F 572297363 SERFEMMSFIVCQF-INIZCTEOSA-N 438.347 5.043 30 20 IKED CN(Cc1ccc(C#N)cc1)c1nnc(-c2cccc3cccnc23)n1Cc1cccs1 573865268 AVXJZAJSKPKGRO-UHFFFAOYSA-N 436.544 5.111 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1 574745987 CFMRQYYYERZNNW-RSXGOPAZSA-N 441.531 5.488 30 20 IKED CCN(CC)[C@@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccsc1 576793291 OSUNHXXEGNJRAC-QFIPXVFZSA-N 435.553 5.012 30 20 IKED Cc1ccsc1[C@H](Cc1ccccc1)NCC(=O)Nc1ccccc1SC[C@H](C)C#N 577025613 HLFPWGRMMROHML-GCJKJVERSA-N 449.645 5.820 30 20 IKED COc1cc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c(OC)cc1Cl 583714582 WVSYRKFLRVBTRD-UHFFFAOYSA-N 448.350 5.127 30 20 IKED CC(=O)c1cccc(OCCCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 590234691 AKUCEYIABPIIMG-UHFFFAOYSA-N 442.515 5.446 30 20 IKED CC(=O)N[C@@H](CC(=O)Nc1sc2c(c1C#N)CCCCCC2)c1ccc(Cl)cc1 603996158 COORKIWPUGASJL-IBGZPJMESA-N 429.973 5.138 30 20 IKED CCc1c(C)sc(NC(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)c1C#N 609032517 KRZAIVIOVODTEQ-UHFFFAOYSA-N 447.564 5.945 30 20 IKED N#CCCSc1ccccc1NC(=O)CCCCOc1ccc(Br)cc1 609407911 BKDGCYAUULISJP-UHFFFAOYSA-N 433.371 5.643 30 20 IKED COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)c1 609435537 WBMFKFZDZJHHKH-OXQOHEQNSA-N 425.554 5.467 30 20 IKED Cc1ccc(OCc2cccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c2)cn1 609620647 YZPKBQAGPCEMLL-UHFFFAOYSA-N 436.471 5.280 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3cccc(-c4cn5cccnc5n4)c3)c2)c1 609642171 ASVNFNCOUKIRIQ-UHFFFAOYSA-N 445.482 5.099 30 20 IKED CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1 609642366 RXZJHPPZPZSBMT-UHFFFAOYSA-N 447.922 5.181 30 20 IKED Cn1ccnc1[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccccc1 609722344 TZDYRYWAOHCRDV-HSZRJFAPSA-N 442.906 5.257 30 20 IKED COc1ccccc1[C@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 610015517 KYWNWBYVQMJKFW-CVDCTZTESA-N 445.950 6.025 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCS[C@H](c3ccccc3)C2)cc1F 610334553 BBLXMDKJCSZONG-QHCPKHFHSA-N 433.508 5.812 30 20 IKED CO[C@@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1Cl 610791951 FLTLTUUHBVJNAM-DEOSSOPVSA-N 449.938 5.494 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)s2)o1 613319655 LBABCVDRZKKVHG-HNNXBMFYSA-N 439.949 6.287 30 20 IKED FC(F)(F)c1ccc(-c2noc(CN3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)n2)cc1 618449351 FROUZEWWBDJBTC-TXEJJXNPSA-N 447.301 5.318 30 20 IKED C[C@@H](NC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C)c1cccc(C#N)c1 619800789 WEIAYJBSHLCXOL-UNEAEHENSA-N 436.987 5.186 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccn(Cc2ccccc2)n1 623754094 PMSKLHQSYAUZCF-UHFFFAOYSA-N 443.320 5.053 30 20 IKED O=C(N[C@@H]1CC[C@@](O)(C(F)(F)F)C1)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 646694513 GWCVMBNARMIKNA-KDOFPFPSSA-N 435.339 5.087 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)nnc1-c1ccccc1 662024504 KJXSLTKVSRXOQB-HZPDHXFCSA-N 426.973 5.143 30 20 IKED O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 681478220 PHTVZGVZOBSSQK-UWVGGRQHSA-N 428.682 5.563 30 20 IKED N#Cc1ccc(-c2ccc(OC(=O)CCc3nnc(-c4cc5ccccc5o4)o3)cc2)cc1 726134017 VMUWRGSXBKVGHO-UHFFFAOYSA-N 435.439 5.560 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(F)c(F)c2)[n+]2ccc3c(c2)CCCC3)c1 726573063 YNAMATYMHTWHGD-UHFFFAOYSA-O 447.530 5.436 30 20 IKED COc1cc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)ccc1SC 726626674 JHPDBYRMCRNKKV-CAOOACKPSA-N 432.979 5.348 30 20 IKED N#C[C@H]1C(CNC2(c3ccc(Cl)cc3)CCCCC2)=CC(=O)n2c1nc1ccccc12 726789633 QXBROIQORMWFQX-FQEVSTJZSA-N 430.939 5.326 30 20 IKED CC(=O)Nc1ccc(/C=C\C(=O)c2sc(/C=C/c3ccc(NC(C)=O)cc3)nc2C)cc1 726848630 SOYZQHPJIHHVQB-DJJIWSAGSA-N 445.544 5.435 30 20 IKED CCN(C[C@@H](C)C#N)Cn1nc(-c2ccccc2Cl)n(-c2ccc(OC)cc2)c1=S 726964007 QXMGKQZPCXMSFC-INIZCTEOSA-N 441.988 5.171 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H](O)c3ccccc3C(F)(F)F)cc2)cc1 728739919 IGYFHWUCIWWPBO-OAQYLSRUSA-N 441.409 5.224 30 20 IKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(F)c(Cl)nc3Cl)c2C#N)C1 728804569 ZKVSFERUGNXEPV-SECBINFHSA-N 426.344 5.864 30 20 IKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@@H](C)c3cccnc3)C2=O)cc1 730944580 YISWHHNCEOZYRS-PGRDOPGGSA-N 444.560 5.112 30 20 IKED Cc1ccc(N2C(=O)/C(=C\Nc3ccccc3SCCC#N)c3ccccc3C2=O)cc1 730996188 QAAQBTXPPJHFHC-XLNRJJMWSA-N 439.540 5.641 30 20 IKED Cc1ccc(CC(=O)Nc2cccc([C@@H](C)OC(=O)c3ccccc3SCC#N)c2)cc1 731301132 KETSUYKZCFSUSY-LJQANCHMSA-N 444.556 5.710 30 20 IKED C[C@@H](NC(C)(C)CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 731752627 LATVPIICIRPINP-NLFFAJNJSA-N 426.564 5.593 30 20 IKED Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 732377747 UBHKYNPTHPYWFF-LJQANCHMSA-N 428.488 5.346 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccc(Br)cc1 733080255 ICCMWDISSWOWFJ-UHFFFAOYSA-N 436.235 5.156 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=S)Nc2ccccc2Oc2ccccc2)ccc1OC 733208753 IQACLCVLCFPSAU-IBGZPJMESA-N 447.560 5.655 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)NCc2ccc(OC)c(O[C@@H](C#N)CC)c2)c(C)c1 733630131 LYSMMHMNYDNZFN-PKOBYXMFSA-N 441.597 5.897 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@H]2c2cccc3ccccc23)ccc1OC 733654119 OCSPEWGDGKUTST-QPPBQGQZSA-N 443.547 5.576 30 20 IKED CC1C/C(=C\c2nccn2Cc2ccccc2)C(=O)/C(=C/c2nccn2Cc2ccccc2)C1 734095422 AMGOTIDZCRWPNO-XUWUHCBVSA-N 448.570 5.642 30 20 IKED C[C@H]1CN(Cc2ccccn2)CCC1=NNc1ncnc2scc(-c3ccc(F)cc3)c12 734363748 OUERCFBXEWKHGB-INIZCTEOSA-N 446.555 5.202 30 20 IKED COc1cccc([C@H](C#N)NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1OC 735044751 PHULNXGZHWSPJC-FQEVSTJZSA-N 447.878 5.016 30 20 IKED CC(=O)Nc1ccc(C(=O)COC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 735165203 BJVDOSFELNSWLH-UHFFFAOYSA-N 448.862 5.002 30 20 IKED Cc1ccc(-n2nc(C)c(CC(=O)[C@H](C#N)c3nc4cccc(C)c4[nH]3)c2C)cc1Cl 735787904 GVFHMFCDMXLKAW-IBGZPJMESA-N 431.927 5.055 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(-c4ccccc4Br)n3C)[nH]c12 735791435 YQTPBPQBXSVWGU-OAHLLOKOSA-N 433.309 5.129 30 20 IKED C#CCN(C(=O)CCc1cc(Cl)cs1)[C@@H]1CCOc2ccc(Br)cc21 736484676 KQJKLSKNOHVEBA-QGZVFWFLSA-N 438.774 5.082 30 20 IKED C=CCn1c(-c2ccccc2F)nn(CN2CCSC[C@@H]2c2ccccc2)c1=S 738070735 XTYWUJGMQYBYLP-HXUWFJFHSA-N 426.586 5.154 30 20 IKED Cc1nnc(-c2cccc(C#N)c2)n1CN(C1CC1)[C@H](C)c1cccc(C(F)(F)F)c1 739839074 CABLLXLVGJDDKL-OAHLLOKOSA-N 425.458 5.327 30 20 IKED COc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2ccc(Oc4cnccn4)cc2)CC3)cc1 743055692 IXMVETNKKPQCPF-NBVRZTHBSA-N 441.512 5.614 30 20 IKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C2CC2)c1 743525483 QKSBQPKPPWGEKV-IBGZPJMESA-N 445.947 5.219 30 20 IKED C[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1cccc(-n2cccn2)c1 745834744 MFTMEULFRFJHBF-KRWDZBQOSA-N 427.533 5.033 30 20 IKED C=CCn1c(-c2ccc(F)cc2)nn(CN(C)Cc2ccc(SC)c(OC)c2)c1=S 746715360 MZILBGPGWYNWHC-UHFFFAOYSA-N 444.601 5.226 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1Br 747108194 FJDBVYYNKXQIFV-AWEZNQCLSA-N 426.097 5.026 30 20 IKED C#CCN(Cc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1)C1CCCCC1 756502423 SQLKKJBELVYMAF-UHFFFAOYSA-N 435.515 5.614 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccc(F)cc1OCC#N 760802032 SYMXLIYGEGSOQB-UHFFFAOYSA-N 443.887 5.256 30 20 IKED Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccc(C(C)(C)C)cc2)c1C 762438268 LVOCOXXRTMRDDX-UHFFFAOYSA-O 442.608 6.083 30 20 IKED CC(=O)c1ccc(Oc2ccc(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)cc2)cc1 764301603 OPCMTHMPMYMUAQ-UHFFFAOYSA-N 435.823 5.367 30 20 IKED C=CCn1c(-c2cnccn2)nn(CN2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)c1=S 764896674 DVJDEBNSVAJMOE-OAQYLSRUSA-N 434.613 5.149 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(OC(C)(C)C)cc2)cs1 764922350 YGJTZXQMXPTNPM-GDNBJRDFSA-N 434.561 6.210 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3cccc(C(F)(F)F)c3)n2)cc1 766843415 IXOLUXIKFOTOSQ-GOSISDBHSA-N 430.451 5.647 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)OCc2nnc(-c3cccc(C#N)c3)o2)c1 772119565 FYMQQVXQYRLXJC-UHFFFAOYSA-N 425.444 5.031 30 20 IKED Cc1nc(-c2ccc([C@H](C)NCC3=CC(=O)n4c(nc5ccccc54)[C@H]3C#N)cc2)cs1 775140352 YCNZSQPKNOBNTE-YWZLYKJASA-N 439.544 5.006 30 20 IKED Cc1ccc(N(C)C(=O)c2ccc(COc3ccccc3C#N)o2)cc1Br 775956128 JKZWOLLZZKEAPG-UHFFFAOYSA-N 425.282 5.078 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 776017169 SSCQMWBQVABAOY-HNNXBMFYSA-N 435.299 5.172 30 20 IKED CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 777299033 XYTFBLYWLNDXDM-SBUREZEXSA-N 443.569 5.078 30 20 IKED CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)c2cccs2)cc1 780043259 GUKSNJQXELUHII-SBUREZEXSA-N 447.560 5.007 30 20 IKED CCCc1c(NC(=S)NCc2cccc(C(F)(F)F)c2)cnn1-c1cccc(C#N)c1 783953985 QMIRKTRTGBWAHN-UHFFFAOYSA-N 443.498 5.202 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(Br)cc2C(F)(F)F)ccc1OCC#N 790233205 QMMYDWRTAOIGGH-QHHAFSJGSA-N 440.215 5.275 30 20 IKED O=C(N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1cc(C(F)(F)F)cnc1Cl 790973139 FPSPMWJFVWDDJQ-NSHDSACASA-N 448.697 5.389 30 20 IKED CN(C)C(=O)c1ccc(C(=O)/C=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 792924165 BNBRUZFNRKNFAW-QXMHVHEDSA-N 430.451 5.427 30 20 IKED CCCCCCn1nc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c2ccccc2c1=O 797568657 KWZCIPOQASSMKU-GOSISDBHSA-N 436.581 5.221 30 20 IKED Cc1ccc(-c2ccnn2C)cc1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 799239219 UWHBRAMADCWUST-UHFFFAOYSA-N 427.533 5.317 30 20 IKED C[C@H]1CCCN(c2ccc(CNCc3cn(CCC#N)nc3-c3ccncc3)cc2Cl)C1 800276635 PHXIGRPMKYTJSB-IBGZPJMESA-N 449.002 5.038 30 20 IKED CCCC[C@@H](ON=C(C)C)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 803651283 JOBYFIDZYYGMMT-UXHICEINSA-N 428.495 5.261 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 804560123 SHPNCEKJCVYWAQ-RUZDIDTESA-N 443.547 5.137 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](C)c2ccc(F)c3ccccc23)ccc1OC 806806975 RSGGZMFWJVLAJS-SJLPKXTDSA-N 435.499 5.229 30 20 IKED CC(C)(CCC#N)CNC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12 807847428 VTECQNQXUQTZQP-UHFFFAOYSA-N 437.341 5.119 30 20 IKED COc1ccc([C@@H](O)C2CCN(Cc3cccc(OCc4cccc(C#N)c4)c3)CC2)cc1 812774334 KWEXXELUGUZNOZ-MUUNZHRXSA-N 442.559 5.091 30 20 IKED Cc1cc(=O)cc(C)n1CCCC(=O)N1CCCSC1=Nc1ccccc1C(C)C 812825485 ADKMZRZFYGJEJS-UHFFFAOYSA-N 425.598 5.022 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1OC 818567419 KSLJXUSIEYIWKY-BENRWUELSA-N 434.517 5.226 30 20 IKED Cc1sc2ncn(N=Cc3csc(Br)c3)c(=O)c2c1-c1ccccc1 914559243 FHQSFDBIVBIJCP-UHFFFAOYSA-N 430.352 5.140 30 20 IKED N#C[C@H](C(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103105 OUZILKGLYIPSCH-BLLLJJGKSA-N 448.375 5.084 30 20 IKED N#Cc1ccc(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 916410194 VKQIKBRCBYNPDL-UHFFFAOYSA-N 438.409 5.151 30 20 IKED CC(C)(C)c1ccc(OCc2ccc(C(=O)[C@@H](C#N)C(=O)NCc3ccccc3)cc2)cc1 916885754 BCOCWFXZPSQUJO-RUZDIDTESA-N 440.543 5.202 30 20 IKED Cc1oc(-c2ccccc2)nc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916906912 WGUUCZWWTRCJDY-HXUWFJFHSA-N 437.455 5.404 30 20 IKED Cc1ccc(CCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1Cl 916908042 KRSYHGVQZOIMNK-HXUWFJFHSA-N 432.907 5.721 30 20 IKED C[C@@H](SCc1ccccc1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916909188 PAADBOWLCSYXKZ-NQIIRXRSSA-N 430.529 5.448 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)c(C)n1[C@@H](C)c1ccccc1 916918403 ORYYISZIAAUBLI-DFBJGRDBSA-N 435.527 5.829 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1nc(-c2ccccc2)cs1 917026755 OLQWFCPEMMQYER-HSZRJFAPSA-N 436.536 6.316 30 20 IKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1ccccc1Nc1ccc(C)cc1 917506473 ZEKATLMRGAOPJW-FQEVSTJZSA-N 443.503 5.066 30 20 IKED N#C[C@H](C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1)c1nc2ccccc2o1 917509861 FGTNHVRPLJRAHT-AUSIDOKSSA-N 432.932 6.180 30 20 IKED CCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1C#N 917707120 MISGVZNDUKCSGU-QFIPXVFZSA-N 442.544 5.082 30 20 IKED Cc1cc(Nc2ccc3c(c2)CCCC3)c(C(=O)NCc2ccc(C#N)c(Cl)c2)c(O)n1 1639452548 MITVZERXLICPSR-UHFFFAOYSA-N 446.938 5.173 30 20 IKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)ccn1 1789750451 BZIPLNXCFFHMLO-UHFFFAOYSA-N 447.655 5.189 30 20 IKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)CCC1 1790312424 FSEMGAZGDOQOQB-INIZCTEOSA-N 446.469 5.044 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccc(F)c2s1 1797447857 DAMUFIZVKDEXBB-BCDXTJNWSA-N 428.573 5.285 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC2CCC2)n[nH]1 1815050022 NFFFOPKUUUOUFR-OAQYLSRUSA-N 442.680 5.033 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCCCC2(F)F)CC1 1824648357 WFIYHRQDZJFYQP-BHIFYINESA-N 436.587 5.200 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C(C)=C/c2ccc(C)o2)CC1 1828826939 OYKCHDBUOMTNPZ-MQMZBWSNSA-N 438.612 5.379 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc3ccccc23)CC1 1829066331 CAMQEHPVQPZVDQ-VWLOTQADSA-N 447.623 5.461 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)Oc2ccccc2)CC1 1831528631 RFHFDIVPIRHERU-URXFXBBRSA-N 440.628 5.066 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCc3ccccc32)CC1 1831979327 VCFLQZPUBAJLDZ-LGPLSSKUSA-N 434.624 5.105 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)Nc1ccc(C)cc1C 10168667 RDMLIEAQIIIFKH-UHFFFAOYSA-O 431.625 6.130 30 20 IKED CN(C)c1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 15247969 PYYCXWZXAOZAHM-UHFFFAOYSA-O 445.395 5.398 30 20 IKED C=CCn1c(SCC(=O)c2ccc(NC(=O)C(C)C)cc2)nnc1-c1cccc(C)c1 21334002 XCWANOZOIVHZLL-UHFFFAOYSA-N 434.565 5.009 30 20 IKED C=CCn1c(SCc2ncc(-c3cccc(Cl)c3)o2)nnc1-c1ccccc1OC 24047538 RGFGWXQYRWLHDB-UHFFFAOYSA-N 438.940 5.740 30 20 IKED Cc1c(Cl)cccc1Nc1nnc(SCCC(=O)Nc2ccccc2C#N)s1 24900958 WODADMQYECNYTF-UHFFFAOYSA-N 429.958 5.236 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2nc(CN3CCCCCC3)cs2)cc1 33243940 NKTXDROQWDSTOZ-UHFFFAOYSA-N 446.576 5.222 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1O 57437706 YCZBDKFEMNLBDK-ZZXKWVIFSA-N 426.650 5.011 30 20 IKED N#CCCCOc1cccc(NC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)c1 58535338 UMGDAAAWLBXRNW-UHFFFAOYSA-N 442.544 5.790 30 20 IKED N#Cc1cn(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)c2ccccc2c1=O 60376248 NHRZOKNDSJIGJK-UHFFFAOYSA-N 445.931 5.316 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NC3CCN(CC4CCCC4)CC3)c2)cc1 63392050 ZUIIZILQXRUBNP-UHFFFAOYSA-N 446.595 5.108 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)NCc1cccc(Cn2cnc3ccccc32)c1 63677374 UGDXAWCAPVWZPY-UHFFFAOYSA-N 442.522 5.553 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3c[nH]cc3-c3ccc(Cl)s3)c2)c1 64026845 MEZVSHSHQFRJCB-UHFFFAOYSA-N 446.919 5.773 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccccc2Cl)on1)c1nc(-c2c(F)cccc2F)cs1 64715170 MVWKAJQUWPGEKM-GFCCVEGCSA-N 441.846 5.887 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC([C@H](O)c3ccccc3)CC2)cc1 97288000 OBKYSJPMDKYSEI-AREMUKBSSA-N 442.584 5.436 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1cccc(Cl)c1Cl 97543290 LOGSQTRWGUIOFY-OAHLLOKOSA-N 440.330 5.883 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CSCc2ccc(Cl)cc2)cc1 117562012 KELKLGYEAAAQSS-UHFFFAOYSA-N 436.964 5.857 30 20 IKED COc1cc(C(=O)/C=C\c2ccc(-c3ccccc3[N+](=O)[O-])s2)cc(OC)c1OC 214374829 WUIDIQWDDJWIFU-NTMALXAHSA-N 425.462 5.245 30 20 IKED COc1ccc([C@@H](Cc2ccccc2C)NCc2ccc(O[C@@H](C)C#N)cc2)cc1OC 237251695 VEMPUPHNFUGEIH-NBGIEHNGSA-N 430.548 5.377 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(-c4cn5cccnc5n4)cc3)c2)cc1 303219008 UUFGTFVJRKTVKY-UHFFFAOYSA-N 431.455 5.313 30 20 IKED C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccc(F)cc1OCC(F)(F)F 303597279 NIPVUSQGRAXBOC-SNVBAGLBSA-N 425.300 5.192 30 20 IKED C=CCCc1ccccc1NC(=O)c1ccccc1SCC(=O)Nc1cccc(OC)c1 410345752 QKDBRXVPOYUWAT-UHFFFAOYSA-N 446.572 5.797 30 20 IKED N#Cc1cccc(COc2cccc(CNC[C@H](CC(=O)O)c3ccc(Cl)cc3)c2)c1 426716331 VHNUQDDULOBNSW-QFIPXVFZSA-N 434.923 5.139 30 20 IKED N#CCSc1cccc(C(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)c1 429788593 OXMIEQVSENLOPM-UHFFFAOYSA-N 441.556 5.076 30 20 IKED CCCN(C(=O)c1cccc(SCC#N)c1)[C@@H](c1cccnc1)c1ccc(F)cc1F 430612290 RMXKMTWDYQFUPA-QHCPKHFHSA-N 437.515 5.617 30 20 IKED C=CCC[C@@H](NC(=O)N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1 435100745 JQQDGMFZDAXTQF-RPBOFIJWSA-N 448.588 5.186 30 20 IKED COc1cc(C(=O)N(C)c2cc(Cl)ccc2C#N)cc(OC)c1OCc1ccccc1 435998712 GFTSSNZZJAMGDF-UHFFFAOYSA-N 436.895 5.084 30 20 IKED COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)Nc2cc(C#N)ccn2)cc1 436012576 JVAUPOLNLLSJEH-XMHGGMMESA-N 432.483 5.249 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c12 436326650 BLUNNSGSFZFZNS-GGAORHGYSA-N 441.579 5.284 30 20 IKED CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 438025237 UTQROOKJWIGATA-DENIHFKCSA-N 438.959 5.124 30 20 IKED COc1cccc([C@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)c2cc(F)ccc2OC)c1 438851153 JQHUYVIPWRUTKO-ZCYQVOJMSA-N 447.510 5.277 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)N2CCSc3ccccc32)cc1 439570650 MDGLCZMIORBEIA-KRWDZBQOSA-N 445.544 5.298 30 20 IKED N#CCC[C@H](NC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1ccccc1 440090359 UDILEBGMRXRCMJ-PZJWPPBQSA-N 434.540 5.671 30 20 IKED Cc1cccc(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)c1C#N 442846225 VWRSHUXONZHJLY-HXUWFJFHSA-N 435.549 5.171 30 20 IKED Cc1ccc(C)c([C@@H]2CN(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)[C@@H](C)CO2)c1 444206255 PWZQVJCEZKDSTB-JTAQYXEDSA-N 437.609 5.098 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccc(OC(C)C)cc2Cl)nnc1-c1ccco1 444525039 QVUPDQOUOPVKOL-UHFFFAOYSA-N 446.960 5.286 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)Cc2coc(-c3cccs3)n2)c1 460337514 YILXAQSKHMFDLA-UHFFFAOYSA-N 433.920 5.704 30 20 IKED C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)[C@@H]1c1cccc(F)c1 461811408 LKOHGCQOAFWTEL-DKLXNKCPSA-N 445.542 5.112 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)c1cccc(CC#N)c1 466875851 CQUGXZPEOAWXRT-CYBMUJFWSA-N 440.366 5.438 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Nc2ccc(NC(=O)c3ccco3)c(C)c2)c1 467399345 OAKLQEKQEVKEKM-FQEVSTJZSA-N 444.535 5.204 30 20 IKED Cc1ccc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)c(OC[C@H]2CCCO2)c1 467470630 VYJHTZDJBXVLKZ-AZUAARDMSA-N 439.581 5.126 30 20 IKED O=C(N[C@H]1CCSC1)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 468011587 LCLKGAZNUDJLNO-QWRGUYRKSA-N 440.331 5.132 30 20 IKED COc1ccc([C@@H]2CCCC[C@@H]2Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1F 469260571 SNOCRYOYMZVVNJ-GMAHTHKFSA-N 435.543 5.556 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(Cc3ccccc3)[C@H](C)c3cccs3)C2)n1 471297595 KTUGLOKJPOKACC-NFBKMPQASA-N 444.604 5.330 30 20 IKED Cc1nc(CNC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)oc1-c1ccc(Cl)cc1 473671691 VVFWYTBILMAXJD-UHFFFAOYSA-N 436.943 5.543 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 475571776 NFZJWCGJQPOZSV-MRXNPFEDSA-N 437.531 6.425 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N(CCc3ccccc3)[C@@H]3CCOC3)cc2)cc1 475645890 DHXAPXJRARPPTO-XMMPIXPASA-N 426.516 5.019 30 20 IKED CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 480665441 GUMVBWWDTSDSQD-UHFFFAOYSA-N 433.895 5.260 30 20 IKED CCOCCOc1ccc(Cl)cc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 481683400 JOETWJVWUIQSFO-UHFFFAOYSA-N 429.948 5.317 30 20 IKED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481709430 COKJELQCKUZMIW-KRWDZBQOSA-N 443.478 6.247 30 20 IKED C=CCn1c(S[C@H](C)c2cc([N+](=O)[O-])ccc2C)nnc1[C@@H]1COc2ccccc2O1 484570892 SDSBOLLCUIJBME-QRWLVFNGSA-N 438.509 5.047 30 20 IKED COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)N[C@H](C)CC#N)cc1OC 484773342 YNEBRQFYKVPZKC-JFPYRBRCSA-N 441.531 5.161 30 20 IKED C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H](CCCC#N)c1ccccc1 487221019 QNIGYZMOEJCIRV-KSSFIOAISA-N 435.749 5.421 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nnc1-c1cccs1 489462928 LNCREZYLIXRPTI-CABCVRRESA-N 438.578 5.297 30 20 IKED Cc1ccc(/C=C\c2cc(C(=O)N(CC#N)C3CC3)c3cc(Br)ccc3n2)o1 495500008 ROUUWVFAWCMOHO-YWEYNIOJSA-N 436.309 5.197 30 20 IKED C=CC1CCN(C(=O)CC[C@@H](Cc2ccc(Cl)cc2)C(=O)N2CCC(C=C)CC2)CC1 498477885 QIJRNWKCSCLZDQ-QHCPKHFHSA-N 443.031 5.128 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)c1 498894163 OBFJNMOFWUSHTB-AREMUKBSSA-N 437.474 5.191 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 505832765 MPMRYYNAKDECKN-QGZVFWFLSA-N 427.888 5.096 30 20 IKED N#C[C@H](NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)c1cccc(C(F)(F)F)c1 505988142 XFAMJPOUAUKVSS-ORBWHLTESA-N 430.392 5.535 30 20 IKED C[C@@H]1CCN(CC(=O)Nc2sc3c(c2C#N)C=C(/C=C\c2ccccn2)CC3(C)C)C1 507205444 MVNCIJFRKZBDEH-ZPUOCTKUSA-N 432.593 5.073 30 20 IKED CCCOc1ccccc1Oc1ncccc1CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 507720613 XIXXMSXMZBMBIV-UHFFFAOYSA-N 445.494 5.021 30 20 IKED O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1ccc(-c2noc(C(F)F)n2)cc1 509524177 LTALUTFJXAGBQL-UHFFFAOYSA-N 449.282 5.547 30 20 IKED CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 510551902 JZNOPZFZCSWWMK-QGZVFWFLSA-N 428.492 5.500 30 20 IKED CCN(CC)C(=O)c1ccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 510665058 JNMJBRSWYPBCSP-UHFFFAOYSA-N 442.519 5.154 30 20 IKED C=C(CNC(=O)N1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1)c1ccccc1 512665110 DNCYXSXKWKUSIG-FQEVSTJZSA-N 433.577 5.421 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1Cl 514515165 JDTWAJCEWWIXED-DENIHFKCSA-N 443.934 5.525 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3cc(C#N)c4ccccc4n3)c2)cc1 514755225 DOTWGQFHBGHTCT-UHFFFAOYSA-N 449.510 5.459 30 20 IKED N#Cc1cc(Br)ccc1CNc1cccc(C[S@@](=O)c2ccccc2)c1 516601016 PKRFAMPGARTPEP-AREMUKBSSA-N 425.351 5.241 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OCc4cscn4)c3)n2)cc1 516713646 DVRXOTNGYDFJJM-HXUWFJFHSA-N 442.525 5.207 30 20 IKED CCCN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@H](C)c1cc2ccccc2o1 521000371 ZBUWRMZAPPPHDH-HXUWFJFHSA-N 431.536 5.459 30 20 IKED CC(C)CCc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)cc1 521101727 YJZZJWYDWHORMR-UHFFFAOYSA-N 431.496 5.213 30 20 IKED CCc1cccc(CC)c1NC(=O)CNc1cc(C(F)(F)F)ccc1SCCC#N 521734839 QYTFMVHRCKXYJA-UHFFFAOYSA-N 435.515 5.887 30 20 IKED Cc1csc(C2(NC(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)CCCC2)n1 522870757 CAMHBIJODJOXOR-UHFFFAOYSA-N 445.548 5.167 30 20 IKED O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(F)cc1C(F)(F)F 524386620 LGAXPTOTCFJMRI-UHFFFAOYSA-N 439.287 5.212 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc([S@](C)=O)cc1 535956036 YUMLGHZQPXVELC-ZQHDKMAOSA-N 434.586 5.079 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1cccc(F)c1)C1CCCC1 539329271 DTDUBVBOBJAPIM-XDHUDOTRSA-N 425.573 5.680 30 20 IKED Cc1cc(NC(=O)N2CCC(CCc3cccc(C(F)(F)F)c3)CC2)nn1CCC#N 539717749 JQAVTUYWXHSMQG-UHFFFAOYSA-N 433.478 5.001 30 20 IKED N#CCC1CCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C4)C3)CC1 541044915 CIFYJFXOWRFSME-IYMRDKDASA-N 436.440 5.261 30 20 IKED O=C(CCc1ccccn1)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 542171632 HGWDQXYEUYUNBH-OAHLLOKOSA-N 444.297 5.472 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)c(C(F)(F)F)c1 543061129 SLVWTURJAOTLDN-AWEZNQCLSA-N 444.482 5.906 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1cccc(F)c1F)C(F)(F)F 543189222 NYHXGYDEAILYPB-BLVKFPJESA-N 443.441 5.048 30 20 IKED COc1ccc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(Br)c1O 546173233 PMPLTKJCKKDWQH-OAHLLOKOSA-N 437.337 5.553 30 20 IKED C=C(C)Cn1c(SCc2nc(-c3ccc4[nH]c(C)c(C)c4c3)no2)nnc1-c1ccco1 547060218 KXCIOCIIRLHYOL-UHFFFAOYSA-N 446.536 5.555 30 20 IKED CCOc1c(Br)cc(Cl)cc1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 577514718 DXFCKDAHJYVTGN-UHFFFAOYSA-N 448.626 5.039 30 20 IKED Cc1ccc(OCCCC(=O)Nc2ccc(CN[C@@H]3CCc4ccc(C#N)cc43)cc2)cc1 580381530 JEPSNGFGLSQCNC-HHHXNRCGSA-N 439.559 5.442 30 20 IKED C=CCCO[C@@H](C)C(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 588625621 GYRCIGUBYSQCBA-INIZCTEOSA-N 426.900 5.494 30 20 IKED C=CCN1CCC(NC(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)CC1 592070208 DBAWSSGOFYHVKQ-UHFFFAOYSA-N 440.996 5.759 30 20 IKED N#C[C@@H](C(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1nc2cc(F)ccc2s1 592974450 XOHRBBLTRMPWPX-INIZCTEOSA-N 444.516 5.840 30 20 IKED COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 595984529 XHQOIUFPUGREJD-UHFFFAOYSA-N 444.487 5.359 30 20 IKED N#C[C@H](C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1nc2ccccc2o1 603613798 VGUUXUQOOHSWQF-MRXNPFEDSA-N 446.850 5.492 30 20 IKED C[C@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1nc2ccccc2n1C(F)F 603639003 LXEWAFGKKMLSNU-INIZCTEOSA-N 446.457 5.373 30 20 IKED C[C@@H]1CCCCN1Cc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1 603909032 AIXPZPXVZWSVJA-LJQANCHMSA-N 429.520 5.357 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1Cl 604085022 UVWAJZSYAIBCGF-ISKFKSNPSA-N 433.914 6.504 30 20 IKED COc1ccc(CNC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1OCCCC#N 604512456 UWSILNRMEGAMME-HUUCEWRRSA-N 438.412 5.377 30 20 IKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 609176163 AKXRAKRYCCGBLM-INIZCTEOSA-N 431.517 5.428 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)[C@H]3CC=CC[C@H]3c3nc4ccccc4s3)CC2)c1 609184839 IGWBYZJITOXQOL-YADHBBJMSA-N 443.572 5.288 30 20 IKED N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1nc2cc(F)ccc2s1 609321494 AKQDZOIPRHZTEA-KRWDZBQOSA-N 433.420 5.626 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)s2)cc1 609343620 NXMMNAUWHCRGKC-JTSKRJEESA-N 430.577 5.145 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc2ccccc2n1C(F)F 609498887 SUJYVWKNBIJOBP-INIZCTEOSA-N 446.457 5.781 30 20 IKED Cc1cc(S(=O)(=O)Nc2ccccc2S[C@H](C)CC#N)c(C)cc1Br 609733703 OHSDVYPYFCJLTR-CQSZACIVSA-N 439.400 5.261 30 20 IKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 610490028 BLGLJQLPVSPZMO-OZXSUGGESA-N 442.584 5.949 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](OCCCc4ccccc4)C3)cn2)cc1 610629582 OCYXWCYLKSXNJJ-DEOSSOPVSA-N 442.519 5.001 30 20 IKED Cn1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c(-c2ccccn2)n1 610774960 PFVRRFWHSWQYIS-UHFFFAOYSA-N 429.867 5.052 30 20 IKED N#CCCCOc1cccc(CN[C@H](CC(F)(F)F)c2ccc(Br)cc2)c1 612593603 RNMBHTXKCASYDE-LJQANCHMSA-N 441.291 5.915 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)nnc1-c1ccccc1F 613388092 LJBSWKFIERNAGJ-CABCVRRESA-N 444.963 5.282 30 20 IKED C[C@@H](Oc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cn1)c1ccccc1 613404435 RAHRUNWLSXXRGW-CRAIPNDOSA-N 432.430 5.456 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cc(C(C)(C)C)ccc2OC)nnc1-c1ccco1 675725658 NROGVWJIDNQHFA-UHFFFAOYSA-N 440.569 5.151 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)c1C(F)F 676151793 VKRTWOBOGVMIEQ-UHFFFAOYSA-N 445.310 5.030 30 20 IKED CCc1c(C)sc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1C#N 727790860 WDZCLPLKAQJDGW-UHFFFAOYSA-N 435.496 5.814 30 20 IKED CSc1nc(C2CC2)cc(C(=O)OCc2csc(-c3ccccc3F)n2)c1C#N 728321482 WZASLJIPUKXGIP-UHFFFAOYSA-N 425.510 5.172 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)/C=C/c3cc(C(F)(F)F)ccc3Cl)CC2)c1 729416404 OJXKIRFKGKJKQO-QPJJXVBHSA-N 434.845 5.314 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N(Cc3ccco3)Cc3ccccc3O)c2)cc1 729570070 DMTREZDPOSHFQY-UHFFFAOYSA-N 439.471 5.883 30 20 IKED Cc1cc(NC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)n(CCC#N)n1 730097686 GODRQMAROQSKLG-UHFFFAOYSA-N 434.499 5.604 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 730177513 MYJSBYJPMHKMNG-UHFFFAOYSA-N 436.446 5.239 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)ccc1F 730696468 UOEVHERQEJSYLH-ZDUSSCGKSA-N 429.448 5.412 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]1c1ccccc1C(F)(F)F 731029920 KBWFVZZHMHXFMS-JXFKEZNVSA-N 447.526 5.875 30 20 IKED COc1ccc(/C=C2/CCc3nc(-c4ccccc4F)sc3C2=O)cc1OCCCC#N 731939622 ZOSMJZWQKBBZKA-VKAVYKQESA-N 448.519 5.853 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)OCc3ccc(C(=O)Nc4ccccc4)cc3)cc2)nc1 732399324 LKKNPBNBEFIERO-UHFFFAOYSA-N 449.466 5.355 30 20 IKED N#CCOc1ccc(COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CC3)cc1 733375173 VCYYRKUYIROBKR-KNTRCKAVSA-N 436.467 5.574 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)ccc1OC 733646758 PHPHCNSOMVMMAQ-WIOPSUGQSA-N 447.510 5.104 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(OCc3ccccc3)cc2C)c1 735368293 NBGOVZDKQYHRAL-QFIPXVFZSA-N 429.520 5.577 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\C(=O)c3ccsc3S[C@H]2C)cs1 742438117 ZRQOTNQUKVTVET-VQIMKDEXSA-N 426.588 5.958 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)[C@H](C)c2ccc(-c3ccccc3)cc2)c1 743610287 CATQYRFZFATKEK-NLFFAJNJSA-N 427.548 5.937 30 20 IKED N#C[C@H](C(=O)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1)C(=O)N1CCCC1 744024413 VQEQDOZRCYFQIW-LJQANCHMSA-N 433.360 5.231 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)Cn2c(COc3ccccc3)nc3ccccc32)n1 747197988 QTQRKMWZQHFAJO-SFHVURJKSA-N 430.533 5.072 30 20 IKED CCOC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 751142322 LPMJYKWKRPWNSN-UHFFFAOYSA-N 431.448 5.180 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)cc1C#N 752194473 NVZMGXRFKLAODX-ROUUACIJSA-N 446.532 5.425 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)c3cc(-c4ccncc4)nc4ccccc34)n2)c1 752375992 HOCMNRPLPGQFFH-UHFFFAOYSA-N 433.496 5.544 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)cc1 757307043 ULBPRNBUXLBURM-IBGZPJMESA-N 429.863 5.274 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc3ccccc3c2O)cs1 757474185 KIARSXVHHWEVTD-GXDHUFHOSA-N 428.513 5.891 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 758584063 JMEIRAAPKJUBCL-AUSIDOKSSA-N 431.492 5.372 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)c3cccs3)c(C)c2)cc1C#N 759673330 GSPDNJKLDIJMIO-UHFFFAOYSA-N 448.504 5.001 30 20 IKED CN(C)CCOc1ccc(N(C)C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1 761685876 QWOHUFOMQNWPDO-UHFFFAOYSA-N 449.938 5.221 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(Cl)c(C(F)(F)F)c2)ccc1OCCC(=O)O 763374386 QFRVCJLGKGRCLC-KXFIGUGUSA-N 428.790 5.117 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C1CCCC1 764754304 BNVPJMQUEVJUNJ-UHFFFAOYSA-N 428.213 5.161 30 20 IKED C[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)[C@@H](O)c1c(Cl)cccc1Cl 768076312 DLVIJPURMNFFFR-LHSJRXKWSA-N 430.335 5.104 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cccc(-c3cccnc3)c2)c1 768482086 IAYZHSKKOCXRLH-UHFFFAOYSA-N 443.576 5.522 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CC=C(c3ccc(Cl)nc3)CC2)cc1 773820254 KNSKPCLGVDRMET-UHFFFAOYSA-N 431.948 5.687 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(Br)cc2C(F)(F)F)c1 776323116 SJIWLMZUQKBJCG-AWEZNQCLSA-N 441.247 5.079 30 20 IKED CC(C)(C)OC(=O)N1CCc2cc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)ccc21 777295208 BCQNTROYUKBVBJ-IBGZPJMESA-N 445.544 5.598 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cccc3c2CCCN3C(=O)OC(C)(C)C)cc1 778702512 UXSSQIHABPJBFJ-UHFFFAOYSA-N 449.551 5.333 30 20 IKED CC(=O)Nc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1 781550581 CKOQSGWHTUMLQI-FMIVXFBMSA-N 439.924 5.336 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1Br 782124807 WCOUIRAYYBWANK-AWEZNQCLSA-N 441.354 5.139 30 20 IKED C[C@H](NC(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1)c1ccc(-c2cccc(C#N)c2)cc1 782753234 GFGQAOLIOJPZKA-GKVQRAMASA-N 429.520 5.177 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CC3CCC4(CC3)OCCO4)cc2Cl)c1 788089936 DYSOKMZLPUHZCB-UHFFFAOYSA-N 440.927 5.053 30 20 IKED N#CCCn1cc(/C=C2\CCc3cc(SC(F)F)ccc3C2=O)c(-c2ccncc2)n1 788357424 ZKPOEVITUHBGTJ-SFQUDFHCSA-N 436.487 5.386 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccnc(Oc2ccc(F)cc2F)c1 789404244 QXNBJLWDNDPTIR-LJQANCHMSA-N 449.457 5.238 30 20 IKED CC[C@@](C)(C#N)C(=O)Nc1ccc(-c2ccc(NC(=O)[C@](C)(C#N)CC)c(C)c2)cc1C 796795327 KXZZPGMBKHSGEY-UIOOFZCWSA-N 430.552 5.727 30 20 IKED CC(C)(C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1csc(-c2cccs2)n1 800387593 UEQAFLDUKXKNEZ-GFCCVEGCSA-N 444.006 6.289 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccsc2Br)cc1 801612182 LZTPDIVXKNIFIA-SFHVURJKSA-N 426.339 5.488 30 20 IKED C=CCCC(=O)Nc1ccc(COC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)cc1 805920894 ZFZPYBDUQIRUKS-UHFFFAOYSA-N 445.397 5.017 30 20 IKED C#CCN(Cc1ccccc1)C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1 806213787 XRQUAHTUPGIFGX-UHFFFAOYSA-N 449.913 5.076 30 20 IKED COC(OC)c1ccc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)o1 806947561 CUZBXQQSDQOBEU-UHFFFAOYSA-N 446.381 5.506 30 20 IKED Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1ocnc1C1CC1 808035996 KUFWLLBRUWTOHU-LJQANCHMSA-N 448.504 5.387 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)s1 810114925 OCNDDKWGTFFFEH-FQEVSTJZSA-N 447.560 6.027 30 20 IKED CC(C)n1ncc2cc(C=NNc3ncnc4sc(-c5ccccc5)cc34)c(Cl)nc21 874036329 GUUOPAMYFMVBKD-UHFFFAOYSA-N 447.955 5.783 30 20 IKED CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2cc3cnn(C(C)C)c3nc2Cl)cc1 915115024 SKAJKEIDIZYVEI-JXMROGBWSA-N 425.920 5.092 30 20 IKED COc1cc(C=NN2C(=O)c3cccc4cccc(c34)C2=O)c(-c2ccccc2)cc1OC 915270728 QAIIXLNVGKTXFX-UHFFFAOYSA-N 436.467 5.154 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCCc2nc(-c3ccc(F)cc3)no2)cc1 916948281 FXBIBLGFDJUVQW-IERDGZPVSA-N 448.498 5.059 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916976473 PDLCKUBFELSUIJ-QGZVFWFLSA-N 432.892 5.517 30 20 IKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 917119645 RAYPYSPMBBNHGF-BXKMTCNYSA-N 429.545 5.420 30 20 IKED CC(=O)N(c1nc(/C=C2\COc3c(F)cc(F)cc3C2=O)cs1)c1ccc(F)cc1F 920066227 MRKLAIXCJZKLTK-NYYWCZLTSA-N 448.397 5.043 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1ccc(C(F)(F)F)cc1 920108776 AKRQQRAPVBGFDJ-IAQYHMDHSA-N 426.797 5.339 30 20 IKED N#C[C@@H](C(=O)CCc1nc(-c2ccsc2)no1)c1nc(-c2c(F)cccc2F)cs1 920803756 BLZGIFNHUXTELP-LBPRGKRZSA-N 442.472 5.009 30 20 IKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cccs4)cc3)CCC2)cc1 1787271561 BAJAEPSHYUDFGZ-UHFFFAOYSA-N 429.545 5.000 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)nc3)cc2)CCC1 1787428320 NJBMIHQTGAFSEN-OAHLLOKOSA-N 431.458 5.060 30 20 IKED Cc1cc2cccc(C(=O)Nc3ccc(C4(NC(=O)c5cccc(C#N)c5)CCC4)cc3)c2[nH]1 1789018920 GLFKTNHEBDPXSK-UHFFFAOYSA-N 448.526 5.410 30 20 IKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCC(F)(F)C4)CCC3)cc2)c1 1790795161 CKVSTWUVKORRPK-SFHVURJKSA-N 437.490 5.050 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)cc(C)c2)[C@@H]1c1cccnc1 1802496084 OMTLFHYYGYRBHM-ISKFKSNPSA-N 433.596 5.010 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc4ncccc4c3)CC2)C1 1804858664 NKRJNEPWZHSNIG-UHFFFAOYSA-N 433.596 5.072 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)[nH]n1 1821920592 IUPFHDHSUNRGCH-RDTXWAMCSA-N 440.544 5.282 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(F)c(F)c2C)n[nH]1 1823199250 LRALSFXDWBGRPU-OXQOHEQNSA-N 442.510 5.071 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccs2)CC1 1824139772 QNNAKTGTEPANIK-HSZRJFAPSA-N 428.642 5.069 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCCCC2(F)F)CC1 1824139992 UXOCRERCSPTLOC-FGZHOGPDSA-N 436.587 5.200 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)c2ccc(O)cc2)CC1 1829068872 VBXBMDJWTCKOGV-YKSBVNFPSA-N 440.628 5.108 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC)cc2C)CC1 1829068891 VWEGKYCHURAYBL-DEOSSOPVSA-N 440.628 5.229 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(OC)c2C)CC1 1829071737 YKUWVVLHXUIYFP-QHCPKHFHSA-N 440.628 5.229 30 20 IKED CC(C)c1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1 1830057737 SUOIHLWHDNKWKV-AREMUKBSSA-N 443.591 5.229 30 20 IKED C=CCn1c(SCC(=O)Nc2c(C)cccc2Cl)nnc1-c1ccc(Cl)cc1 9051294 ZJLCYWOONBXMJC-UHFFFAOYSA-N 433.364 5.477 30 20 IKED Cc1cc(OCC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)ccc1C(C)C 14621337 HAFZOFNHYPALTD-UHFFFAOYSA-N 438.578 5.151 30 20 IKED CCc1cccc(CC)c1Nc1nnc(SCC(=O)[C@@H](C#N)c2nc(C)cs2)s1 16327970 OXQWEOJZKVOKRL-OAHLLOKOSA-N 443.623 5.140 30 20 IKED C=CCn1c(SCc2nnc(C)o2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 23484370 IAEMWGNWXCQUDV-OAHLLOKOSA-N 429.615 5.327 30 20 IKED CCOc1ccc(Oc2ccc(NC(=O)CCc3c(C)nn(CCC#N)c3C)cc2)cc1 46542607 NNWAJAXCOSZWTB-UHFFFAOYSA-N 432.524 5.176 30 20 IKED COc1ccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c([N+](=O)[O-])c1 63641513 CKMMVWIAZADREB-INIZCTEOSA-N 446.463 5.015 30 20 IKED C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 65140593 MVZQIMHJWCSZKI-HYBUGGRVSA-N 441.600 5.416 30 20 IKED C[C@@H](Nc1ccc(CC#N)cc1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 98081357 QAOZUXSEDMNWPZ-ZHRRBRCNSA-N 432.911 5.177 30 20 IKED COc1cc([C@@H](C#N)NC(=O)c2cc3sc4ccccc4c3s2)cc(OC)c1OC 110026943 IVQXPYGYXKICCS-CQSZACIVSA-N 438.530 5.136 30 20 IKED N#Cc1c(Cl)nsc1Sc1nnc(-c2ccccc2F)n1Cc1ccccc1 301922748 GTLBBNVIWMVVPR-UHFFFAOYSA-N 427.917 5.265 30 20 IKED N#Cc1ccc(SCC(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)cc1 303337935 CRPPBTYONQXKGS-XMMPIXPASA-N 441.556 5.266 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)cc1 303432919 GGYJRCFOZQQGLF-HOTGVXAUSA-N 427.253 5.560 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1 303508513 WMPCPNBQMAUTCG-FQEVSTJZSA-N 428.939 5.066 30 20 IKED O=C(CN[C@@H](c1cc(F)ccc1F)C(F)F)Nc1c(Cl)cccc1C(F)(F)F 434661181 CSSNDXGODFQAAC-AWEZNQCLSA-N 428.735 5.172 30 20 IKED CC(C)Sc1c(Cl)cccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 438265640 GFQQLNSZSHESJX-UHFFFAOYSA-N 429.973 5.787 30 20 IKED N#CCC[C@@H](NC(=O)Nc1ccc(I)cc1Cl)c1ccccc1 439309934 MJPQMLSVRWDZMQ-OAHLLOKOSA-N 439.684 5.111 30 20 IKED CCCc1c(NC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)cnn1-c1cccc(C#N)c1 439688525 RLDBDMJTIKXHOJ-HSZRJFAPSA-N 431.515 5.595 30 20 IKED N#CC1CCC(CNC(=O)[C@@H](Oc2cccc(Br)c2)c2ccccc2)CC1 441140186 MBLUQPLLAQRRHV-BPZDKFOGSA-N 427.342 5.015 30 20 IKED Cc1ccc(C)c(SCc2cccc(C(=O)[C@@H](C#N)c3nnc4n3CCCCC4)c2)c1 442693079 OLRQTWNVYUZXIV-OAQYLSRUSA-N 430.577 5.404 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cn(-c4ccc(Cl)cc4)nc3C)n2)cc1 442863472 REJGVJSRGUIRFK-LJQANCHMSA-N 448.935 5.456 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3ccc(OCc4ccccn4)c(Cl)c3)on2)c1 447494070 ZWCDZJNCKLMUBJ-UHFFFAOYSA-N 430.851 5.093 30 20 IKED Cc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)ccc1-n1cncn1 460924635 JMVUYWVNWSEJHP-UHFFFAOYSA-N 429.867 5.145 30 20 IKED COc1cccc([C@H](CNc2ccc([N+](=O)[O-])c(C#N)c2)c2c[nH]c3ccccc23)c1OC 463445197 UICMMLBOMLEZKN-NRFANRHFSA-N 442.475 5.209 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1cccc(F)c1)C1CCCC1 465418893 VNCBUQAODSYQME-AOMKIAJQSA-N 439.556 5.206 30 20 IKED C=CCSc1ccccc1C(=O)N1CCC(c2nc(-c3ccccc3OC)no2)CC1 470069801 WQEXCFXGPDNVQC-UHFFFAOYSA-N 435.549 5.043 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)CCOc1ccc(C(F)(F)F)cc1 470363574 PHBHCWZZVYROFY-HNNXBMFYSA-N 437.487 5.500 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCC(=O)c1ccc(Cl)cn1 470551058 HTJRMLUTGISQDO-UHFFFAOYSA-N 435.886 5.251 30 20 IKED CCc1cc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)cc(O)n1 477429328 JTLGQSSBGOFBDH-UHFFFAOYSA-N 427.382 5.285 30 20 IKED CN(C)C(=O)Nc1ccc(CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1 478568724 LIFSEGJXTSFJPX-UHFFFAOYSA-N 448.910 5.027 30 20 IKED C=C(C)[C@H](NCc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1)c1ccc(F)c(F)c1 479407188 KYCCTHMDJIDXCN-NRFANRHFSA-N 447.938 6.166 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 480186315 MUNGDEICEYSTIA-DFBJGRDBSA-N 441.531 5.091 30 20 IKED Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 480651937 VXIATODICGJEDJ-LLVKDONJSA-N 447.486 5.097 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(COc4ccccc4)cc3)CC2)c(F)c1 480752264 XWDMXQUXMCZCER-UHFFFAOYSA-N 445.494 5.352 30 20 IKED C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 481098078 CEROTMRZFZQRDU-PSASIEDQSA-N 444.326 5.412 30 20 IKED C=C(C)[C@H](N[C@H](C)c1nc(O)c2c3c(sc2n1)C[C@H](C)CC3)c1ccc(F)c(F)c1 481589035 XUWPBGAURAUBQP-IZDJOXEWSA-N 429.536 5.768 30 20 IKED N#Cc1ccc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)cc1 483471150 QAPGCTWMWYQIHB-UHFFFAOYSA-N 428.435 6.100 30 20 IKED CC(C)(C)OC(=O)c1ccc(Br)c(NC(=O)C[C@H](CC#N)c2ccccc2)c1 484060102 UEIKFCVDOXJOPT-INIZCTEOSA-N 443.341 5.430 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N(CCC(F)(F)F)Cc3ccccc3)n2)c(Cl)c1 484338753 DOTPSTHRBSUIGQ-UHFFFAOYSA-N 447.848 5.384 30 20 IKED Cc1cc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 486500266 DSXWSNMUEAIZDS-UHFFFAOYSA-N 439.431 5.005 30 20 IKED CC(C)(C)OCc1cc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)no1 486521852 XWKALUQUFVKHJH-UHFFFAOYSA-N 438.459 5.114 30 20 IKED N#C[C@H](C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(C(F)(F)F)cn1 487934678 XKPSJZKRFCXKBC-SFHVURJKSA-N 443.406 5.650 30 20 IKED Cc1ccccc1CN(Cc1cccnc1)C(=O)Nc1ccc(C#N)c(Br)c1 487958458 PLDGIMFXRDTREQ-UHFFFAOYSA-N 435.325 5.259 30 20 IKED COC(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1C 491345806 IQEGGJTWYQHJMW-UHFFFAOYSA-N 431.467 5.027 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2cc(C3CCOCC3)[nH]n2)cc1Cl 494511759 POAOFTUZZSJBMK-IBGZPJMESA-N 435.915 5.257 30 20 IKED O=C(c1sccc1F)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 500588631 WAGDCFQFUBSRRD-ZDUSSCGKSA-N 427.341 5.139 30 20 IKED C[C@@H](NC(=O)N1CCC(F)(c2cccnc2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 501871877 MZTUTDKINDWWRW-LJQANCHMSA-N 428.511 5.352 30 20 IKED CCCOc1cn(-c2ccccc2)nc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 503584715 IYQFFDNQTDVIOQ-HXUWFJFHSA-N 442.544 5.583 30 20 IKED CCOc1cc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc(OCC)c1OCC 505944026 QHCROEMHIWPIIV-KRWDZBQOSA-N 437.323 5.184 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1[C@H]2CC[C@H]1CC(Cc1ccccc1)C2 507219588 ZTACRKXXAASXIE-COPCDDAFSA-N 447.604 5.032 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 510675675 RRHRULNXMUHXSP-UHFFFAOYSA-N 437.503 5.638 30 20 IKED CC[C@@H](NC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1nc(C(F)(F)F)cs1 510937704 PIFICUKYDNYBGW-VXGBXAGGSA-N 443.388 5.745 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnc2ccccc2c1C(F)(F)F 511546266 PJKCBKRBLCTPAP-UHFFFAOYSA-N 447.416 6.478 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3CCCC[C@@H]3c3cc4ccccc4[nH]3)CC2)c(F)c1 511888422 IXLVFRUJMNWMML-RUZDIDTESA-N 430.527 5.149 30 20 IKED C[C@@H](NCc1ncc(I)s1)c1ccc(-c2cccc(C#N)c2)cc1 511944532 SHTIXBALMUSTPW-CYBMUJFWSA-N 445.329 5.137 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N(Cc2ccco2)c2ccc(F)cc2F)o1 515622322 IENKQHCKQJVHJH-UHFFFAOYSA-N 434.398 5.448 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 517528184 TXQINOLVUNXVKG-VFNWGFHPSA-N 442.009 6.707 30 20 IKED COc1cccc(C[C@@H]2CCCN2C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 518388174 SRHWPLDQZKSRQF-QHCPKHFHSA-N 426.516 5.401 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(C(F)(F)F)cc3Br)CC2)c1 519026214 HDZQXZRWMCGXEZ-UHFFFAOYSA-N 427.195 5.149 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(COCc2ccccc2)cc1 520478751 SFXHSBWXMHOPEB-UHFFFAOYSA-N 427.548 5.395 30 20 IKED CC(=O)c1ccc(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)o2)cc1 521259403 OYOPTUMLBZNPHG-MRXNPFEDSA-N 448.450 6.041 30 20 IKED COc1ccc2ccc(-c3nn(-c4ccccc4)cc3C(=O)[C@H](C#N)c3ccccn3)cc2c1 521326807 MGTKXSMRHBHDSJ-XMMPIXPASA-N 444.494 5.586 30 20 IKED Cc1ccc(C(=O)c2ccccc2C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1C 521515108 PALITJDMRQDDHP-UHFFFAOYSA-N 438.527 5.090 30 20 IKED COc1ccc(OC)c([C@@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 521810799 FHNIQMSFEFVPLN-DEOSSOPVSA-N 443.503 5.737 30 20 IKED C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 524899093 UMLOVEDNCRMRAR-OAQYLSRUSA-N 440.547 5.479 30 20 IKED CCn1c(SCc2nnc(-c3ccc(C#N)cc3)o2)nnc1-c1ccc(C(C)(C)C)cc1 525623648 RQHFDZINUUUOQA-UHFFFAOYSA-N 444.564 5.476 30 20 IKED C[C@@H](C#N)CN(C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1)C1CC1 532810705 AVGIVFMOZYCOTP-JTQLQIEISA-N 442.397 5.293 30 20 IKED C=C[C@H](CC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F)c1ccccc1 534001065 JBUBXCGXPSQFJC-OAHLLOKOSA-N 428.410 5.849 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3CCC(F)(F)F)n2)cc1 535405227 GIYMCDDGWUZZLH-SFHVURJKSA-N 430.451 5.804 30 20 IKED COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 536784889 NANUKPQDRZSGTG-CJAUYULYSA-N 430.504 5.060 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 537552942 OSXJSUIAECFDFI-CWAQXLGLSA-N 437.543 5.276 30 20 IKED CCn1c(SCCCC2(C#N)CCOCC2)nc2scc(-c3cccs3)c2c1=O 538410733 JXGOKZYNWNGVFO-UHFFFAOYSA-N 445.635 5.399 30 20 IKED C=CCN(C(=O)c1cnc2cnccc2c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 540603624 PSZLFVBYILXIDL-UHFFFAOYSA-N 441.343 5.893 30 20 IKED N#CCc1ccc(C[S@](=O)Cc2csc(-c3ccc(Br)cc3)n2)cc1 541259935 WWKKWQIJFQAHKL-VWLOTQADSA-N 431.380 5.088 30 20 IKED C=CCn1c(SCc2ccc(Br)c3cccnc23)nnc1-c1ccncc1 541286317 LWBCHUXYHRVCBI-UHFFFAOYSA-N 438.354 5.129 30 20 IKED C[C@H](NC(=O)c1ccc(CSc2nccn2C)o1)c1ccc(-c2cccc(C#N)c2)cc1 542988432 GTWUYHINXHBJOM-KRWDZBQOSA-N 442.544 5.335 30 20 IKED N#Cc1ccc(CN(C(=O)CCc2nc3cc(Br)ccc3s2)C2CC2)cc1 544163275 LKSMCLLCGVVMRP-UHFFFAOYSA-N 440.366 5.054 30 20 IKED Cc1cc(-c2cc(C(=O)N(C3CC3)C3(C#N)CCC3)c3cnn(C(C)C)c3n2)c(C)s1 551633347 AHNZJTTYFWFXRK-UHFFFAOYSA-N 433.581 5.408 30 20 IKED C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 552070435 PKEDIGUPUIOFLQ-SJORKVTESA-N 427.951 5.218 30 20 IKED C[C@@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccccc1Br 552734094 AZPBKOBVPLXUIP-OAHLLOKOSA-N 436.309 5.552 30 20 IKED Cc1c(C(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)sc2ccc(C#N)cc12 555696063 VEWFIPKMGTVVFA-KRWDZBQOSA-N 446.507 5.290 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)c1ccc(-c2ccncc2)cc1 557559299 KYVHPWFDVPVPFE-OALUTQOASA-N 430.577 5.290 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)N3C2=O)cc1 561015564 PWEDGPNQXLNDHU-VXKWHMMOSA-N 439.471 5.031 30 20 IKED Cc1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc(N2CCCC2)n1 568920564 JPRUKGUYZMSGGK-UHFFFAOYSA-N 441.535 5.284 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(-c2cc(OC)c(OC)cc2OC)no1 583837265 CWFCSWJBVYNZOT-UHFFFAOYSA-N 436.386 5.013 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc2nc(C(F)F)[nH]c2c1 592372197 QZMPXCRVUKPWSI-MYJAWHEDSA-N 429.311 5.140 30 20 IKED CC(C)c1ccc(-c2nc(C(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)cs2)cc1 603460333 XNOYTAXHDUUUBS-HSZRJFAPSA-N 448.567 5.095 30 20 IKED Cc1ccc(-n2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)nn2)cc1 603766007 INQIBELJHDSEPP-NRFANRHFSA-N 427.895 5.137 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 603995458 DQHNBRLKLRUDAF-UHFFFAOYSA-N 435.458 5.869 30 20 IKED CC(=O)Nc1cccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 604046367 BTTGBZCZJCVSKF-HNNXBMFYSA-N 448.910 5.401 30 20 IKED C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(=O)Nc1c(F)cccc1F 604046635 HBDIHOFBJGYJCI-ZDUSSCGKSA-N 427.838 5.721 30 20 IKED Cc1cc(N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)n2c(nc3ccccc32)c1C#N 604270645 GKZKYSMJPNCOIQ-CHWSQXEVSA-N 426.364 5.235 30 20 IKED C=CCn1c(SCc2cc(C)nc3ccccc23)nnc1[C@@H]1COc2ccccc2O1 605076174 OHGCCNILXBSABB-QFIPXVFZSA-N 430.533 5.126 30 20 IKED Cc1nn(-c2ccccc2)cc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 608804896 HMPZOIYXKLNUFO-JOCHJYFZSA-N 426.907 5.742 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 608850717 CJSSLUGPABQFLG-HXUWFJFHSA-N 446.469 5.498 30 20 IKED CCSc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cn1 609031223 CEFTUFMKMGGCGG-UHFFFAOYSA-N 448.495 5.384 30 20 IKED CC[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccccc1OC(F)F 609057784 ONTRULAKJLBFCI-IBGZPJMESA-N 426.419 5.213 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCCO[C@@H](c3ccccc3)C2)cc1 609233017 LRIRFNXVABVDKB-XMMPIXPASA-N 428.557 5.454 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 609376996 OCKXIVXHIMCENY-INIZCTEOSA-N 445.573 5.500 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F 609377281 RUVSUYPGYJZFQR-ZDUSSCGKSA-N 448.445 5.534 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1)O[C@H](C)C2 609460827 WABQLAUEDRMZMP-DFTPQRALSA-N 445.346 5.200 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCC1(N[C@H](C)c2ccccc2)CCCC1 609469984 XZSFHEJPFGVITC-WOJBJXKFSA-N 436.625 5.723 30 20 IKED N#Cc1ccc(NC(=O)N(CCCn2ccnc2)Cc2c(F)cccc2Cl)cc1Cl 609552330 NSEHXWDBNGXZIU-UHFFFAOYSA-N 446.313 5.325 30 20 IKED Cc1ccc(C[C@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2ccccn2)cc1 609652659 GPWIMHFFZOAYIG-VWLOTQADSA-N 437.499 5.148 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)c1C 610054524 PNYSBGRQFOXMQO-UHFFFAOYSA-N 441.539 5.062 30 20 IKED CC[C@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1cc(F)ccc1F 610141383 DVVZGOQJTVROJK-KRWDZBQOSA-N 445.520 5.253 30 20 IKED Cc1ccc(C(=O)Nc2cccc(OCCCC#N)c2)cc1NC(=O)Nc1ccccc1 610152379 RLHFIORRJRCFBW-UHFFFAOYSA-N 428.492 5.574 30 20 IKED Cc1ccc(-c2nc(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)co2)cc1 610407746 WCNMETMQMICFKX-UHFFFAOYSA-N 425.448 5.031 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1 618750666 HVKMVROYGXCWQI-QHCPKHFHSA-N 444.922 5.297 30 20 IKED C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 622378917 AOELTWKKLDHFOI-SNVBAGLBSA-N 437.302 5.107 30 20 IKED C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 681494228 OFABEQIYTSLVKQ-BREBYQMCSA-N 434.327 5.264 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ccc(OC(F)F)cc2)cs1 726429339 MRPNNDXEYKBNOQ-UHFFFAOYSA-N 436.871 5.529 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H]2c2ccccc2C(F)(F)F)c1C 728115295 KGJWBYICJNHUAQ-QFIPXVFZSA-N 429.486 5.406 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cccc(OC2CCCC2)c1 731262823 TXXOXLOCJNQEMN-QGZVFWFLSA-N 438.549 5.055 30 20 IKED O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccc(C(F)(F)F)nc1O 731565009 XRGULUXKHLXGMN-VMPITWQZSA-N 438.199 5.725 30 20 IKED C[C@H](Oc1ccccc1Br)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 732901453 SCNZBJSIWGAHEN-JQWIXIFHSA-N 435.730 5.356 30 20 IKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 732901648 YFYAGOCRHFLSKE-INIZCTEOSA-N 444.796 5.511 30 20 IKED Cc1nn(-c2ccccc2)c2ncc(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)cc12 733258588 FSNUSSULSDFWQZ-IBGZPJMESA-N 436.302 5.030 30 20 IKED C[C@H](OC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)N(CCC#N)c1ccccc1 733523289 NCZCTEYJDIOGNC-IRXDYDNUSA-N 432.442 5.078 30 20 IKED COc1ccc2[nH]cc(C(=O)/C=C/c3ccc(OCc4cc(C)c(C(=O)O)o4)cc3)c2c1 734307743 RQDRRYYYZXZDTA-BJMVGYQFSA-N 431.444 5.251 30 20 IKED C=CC[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1)c1ccncc1 734684816 WPLKHUFFIRIALC-GBXCKJPGSA-N 449.576 5.135 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cccc(Cl)c2Cl)cs1 734979835 FFCFRNWGFGKMET-YFHOEESVSA-N 435.307 6.170 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 735205211 AWJHUXZSRGFTRN-QFIPXVFZSA-N 443.890 5.528 30 20 IKED COc1cccc(N2CCC[C@@H](NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)C2)c1 735365485 BITFWXYPIBPZDK-BVAGGSTKSA-N 440.547 5.141 30 20 IKED C[C@@H]1COCCN1c1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 737726059 GXQWXQAVKDYRGB-QGZVFWFLSA-N 447.922 5.481 30 20 IKED C[C@@H](C#N)Oc1ccc(/C=C(/CC(=O)O)c2nc3cc(Br)ccc3s2)cc1 742437493 UMPWUURNEMMIIB-QENILXLESA-N 443.322 5.365 30 20 IKED COC(=O)c1cccc(-c2nc(CSCc3cc(Cl)ccc3OCC#N)cs2)c1 742969832 CZXQJEBNVAECQL-UHFFFAOYSA-N 444.965 5.586 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)[C@H](C)c2ccc(-c3ccccc3)cc2)c1 743610284 CATQYRFZFATKEK-CJFMBICVSA-N 427.548 5.937 30 20 IKED C=CCOc1ccccc1C(=O)O[C@@H](C)C(=O)N1c2ccccc2Sc2ccccc21 744677668 NAZODTAPLQFJTK-KRWDZBQOSA-N 431.513 5.626 30 20 IKED C[C@H](OC(=O)c1cccc(OCc2ccccc2C#N)c1)c1nc(Cc2ccccc2)no1 744854376 PHFHYJOOLOFMLH-SFHVURJKSA-N 439.471 5.029 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN(Cc2ccc3ccccc3c2)C2CC2)c1=S 746708233 SLXHRSIHPRNFLX-UHFFFAOYSA-N 427.577 5.437 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)cc1 746763322 DMIYNJGBVRKYMH-BJKOFHAPSA-N 447.485 6.143 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)n1 747196536 MMUFVXPHUFVQNZ-KKSFZXQISA-N 428.529 6.255 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)NCCNc2ccc(C#N)cn2)c(C(F)(F)F)c1 749002469 JJYUQJLIMYMMOT-CYBMUJFWSA-N 437.491 5.096 30 20 IKED CCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H]1CCN(c2ccccc2)C1=O 749225931 QCSAYAVIZGJUIR-RPBOFIJWSA-N 438.531 5.001 30 20 IKED C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 749583532 MMYDSFQGEJBFIL-SACAOSOOSA-N 438.575 5.374 30 20 IKED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3sc4cc(Br)ccc4c3Cl)nc12 750726961 ZJNOHYRDTHPDHC-NSHDSACASA-N 445.729 5.387 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)CCC(=O)c2cc(Cl)sc2Cl)cc1C#N 752200726 QVQMHOWVBLZUOJ-UHFFFAOYSA-N 440.308 5.097 30 20 IKED Cc1ccc(-n2nc(Br)cc2C(=O)Nc2ccccc2SCCC#N)cc1 755308135 IRDPGIIMCZSQLR-UHFFFAOYSA-N 441.354 5.201 30 20 IKED C/C(=C\c1ccccc1Cl)C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 756293368 WXVLYZZYUGGNSG-YLQKULKDSA-N 428.941 5.177 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3ccc4ccc(Cl)cc4n3)n2)cc1 759266259 AMFUQKPIQUEONC-QJRAZLAKSA-N 440.915 5.773 30 20 IKED CC(C)[C@@H]1CCCN1c1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1F 760489228 DGULVDMBMNRAJC-QHCPKHFHSA-N 445.542 5.480 30 20 IKED N#Cc1ccc([C@H](O)CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)cc1 763231898 LWWGSDVQGVUVOO-JOCHJYFZSA-N 446.963 5.209 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1c(Cl)cc(F)cc1Cl 763568565 QHFFSYQPHPHTFM-NSHDSACASA-N 441.311 5.322 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 767881701 FSPMHWCGJSRZIM-FUHWJXTLSA-N 447.526 5.385 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(Cc2ccc(Cl)cc2)CC1 771171278 MMJLKHGVUUUURV-MRXNPFEDSA-N 442.968 5.239 30 20 IKED O=C(O)C(=O)/C(=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2ccccc2n1 771847426 PWMZPIUTPDMSSY-DHDCSXOGSA-N 439.311 5.467 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)c2ccsc2NC(=O)c2ccco2)cc1 773733362 YDFKHFKXERCDKT-UHFFFAOYSA-N 427.485 5.062 30 20 IKED C=CC[C@@H](NC(=O)N[C@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21)c1ccncc1 779573000 GLDFDHIZVJCDNT-YADHBBJMSA-N 436.556 5.423 30 20 IKED Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3ccccc3O[C@@H](C)C#N)[C@H]2c2cccs2)cc1 780150609 VVHJRZZBTNMLCH-KDLAUNOPSA-N 445.544 5.080 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2ccc(-c3cccc(F)c3)c(F)c2)c1C(F)F 784738513 MMCRJTTYIZBZGK-UHFFFAOYSA-N 445.338 6.057 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]c3ncc(Br)cc23)cc1 792057812 PYYMJMAJGWNMAI-LJQANCHMSA-N 431.293 5.233 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCCC(=O)c2ccc(Br)cc2)s1 797569439 QLBCTIMGPZILLL-HNNXBMFYSA-N 433.371 5.433 30 20 IKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)OCCCC3(C#N)CCOCC3)cc12 800095728 DJROTKWXPAHBMI-UHFFFAOYSA-N 443.956 5.306 30 20 IKED C=CCCc1ccccc1NC(=O)CC/C(C)=C\Cc1c(O)c2c(c(C)c1OC)COC2=O 800593128 WFUSMZHWTXVZBY-ATVHPVEESA-N 449.547 5.406 30 20 IKED C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC(O)(c2ccccc2)CC1 802599897 CIIOGNDXYULJOU-UHFFFAOYSA-N 442.485 5.028 30 20 IKED C[C@@H](OC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1nnc(-c2ccc(Cl)cc2Cl)o1 803925168 HKXHXNBPRGISGD-LLVKDONJSA-N 448.281 5.636 30 20 IKED Cc1c(C#N)c(NC(=O)c2cc(Cl)ncc2Br)n(-c2ccccc2)c1C 812908198 CQMXEGZGOPOFHU-UHFFFAOYSA-N 429.705 5.029 30 20 IKED N#Cc1cc(C(=O)O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cnc1C(F)(F)F 815476304 STQMAOKGSWEQDQ-NRFANRHFSA-N 449.388 5.234 30 20 IKED N#Cc1cccc(COc2cccc(NCc3c(Br)cccc3[N+](=O)[O-])c2)c1 863997022 PEKLMYJAWMQLMW-UHFFFAOYSA-N 438.281 5.420 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 881449157 KEHVQXDCAYLAEB-HHHXNRCGSA-N 444.490 5.188 30 20 IKED N#CC(CCOC(=O)CSc1ncnc2sccc12)(c1ccccc1)c1ccccc1 914896583 FHFUWZHRNAPGLG-UHFFFAOYSA-N 445.569 5.227 30 20 IKED N#CCOc1cccc(NC(=O)c2ccc(COc3ccccc3Br)cc2)c1 916410174 ZHQUAKUXVKJTLB-UHFFFAOYSA-N 437.293 5.183 30 20 IKED N#C[C@H](C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2n1 916848670 MSUNYEQFVCPJOR-HRAATJIYSA-N 438.314 5.023 30 20 IKED Cc1cc(Cl)ccc1O[C@@H](C)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916883016 FFYDCHNWJRTHMG-LRDDRELGSA-N 438.883 5.078 30 20 IKED N#C[C@@H](C(=O)COc1ccc(Cl)c2ccccc12)C(=O)Nc1ccc(F)c(Cl)c1 916937820 GYBHNSFOTUCNOP-HNNXBMFYSA-N 431.250 5.012 30 20 IKED N#C[C@H](C(=O)/C=C/c1ccccc1OC(F)(F)F)C(=O)Nc1cc(Cl)cc(Cl)c1 916946421 UCSHWVXHQQWFHK-LLYBFZRZSA-N 443.208 5.253 30 20 IKED COc1cc(C(=O)/C=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc(OC)c1OC 918712546 BBZJGBSUPJLPJE-HJWRWDBZSA-N 449.450 5.751 30 20 IKED Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)c4cccc(CC#N)c4)cc3)sc2c1 919314060 PZXKLKRHYIOXQW-UHFFFAOYSA-N 441.512 5.133 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N(C)Cc2c(C)nn(-c3ccccc3C)c2C)cc1OC 919866053 NASLLUUMNYFPJJ-SQFISAMPSA-N 445.563 5.043 30 20 IKED O=S(=O)(Nc1ccccc1F)c1cccc(N=Cc2cc(Cl)cc(Cl)c2O)c1 920945221 SQZARXNTEMKRBS-UHFFFAOYSA-N 439.295 5.390 30 20 IKED COc1ccc(COCc2cccc(N=Cc3cc(Cl)cc([N+](=O)[O-])c3O)c2)cc1 921138297 CMQQWQXCZXRLKG-UHFFFAOYSA-N 426.856 5.430 30 20 IKED COc1cc(/C=C2/Cc3cc(C)ccc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 921263841 JRZJHSUATKPFGJ-UNOMPAQXSA-N 447.918 5.497 30 20 IKED Cc1sc(NC(=O)CN(Cc2ccc(C#N)cc2)C2CC2)nc1-c1ccc(Cl)cc1 1559674380 JMNYZWWXLPCRSX-UHFFFAOYSA-N 436.968 5.247 30 20 IKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)c3cccnc3)cc2)CCC1)c1ccccc1 1787304286 SHDSHKLNRMIFFI-VWLOTQADSA-N 437.543 5.027 30 20 IKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)nc1 1787483525 YGJZCSKJSJIAOL-IBGZPJMESA-N 438.531 5.079 30 20 IKED Cc1cc(Cl)c2ccc(C(=O)Nc3ccc(C4(NC(=O)CCC#N)CCC4)cc3)cc2n1 1789219492 JLOREPYQAANTMK-UHFFFAOYSA-N 446.938 5.248 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792126676 KJDOZWBAPZJNJW-FQEVSTJZSA-N 427.548 5.255 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C23CCC(CC2)CC3)[C@@H]1c1cccnc1 1810501889 DKUXWYHBMNFBJS-RDQXJMKESA-N 437.628 5.050 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(C(F)(F)F)CCC2)[nH]n1 1814442298 PMCCMGQDLUYOMS-INIZCTEOSA-N 440.510 5.127 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[nH]n1 1821921140 OYTMYBOVNATPCY-OPAMFIHVSA-N 449.530 5.062 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccsc2)CC1 1823752797 NQTCRXRHYDZDEY-JOCHJYFZSA-N 430.658 5.293 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3ccoc3c2)CC1 1823753570 UDJRNCOBCRAXKZ-HSZRJFAPSA-N 436.596 5.659 30 20 IKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ccccc23)CC1)C(F)(F)F 1831452360 BZXUGYQPIPRVMG-QFIPXVFZSA-N 444.497 5.192 30 20 IKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1)C(F)(F)F 1831566388 FUGLYKGPUCEUQY-JBACZVJFSA-N 442.566 5.187 30 20 IKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1831860887 CUDJGMZIOASFGP-SFHVURJKSA-N 443.802 5.456 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(OC)c2C)CC1 1832537254 DFTRODBHJVDFOJ-LADGPHEKSA-N 438.612 5.005 30 20 IKED Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)Nc3ccccc3C#N)c3ccccc3n2)cc1 11397631 REVOOFLFKZALDC-GOSISDBHSA-N 435.483 5.266 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3cccs3)o2)nc2cc(Cl)ccc2c1=O 17674083 XVGDGCJRLBSBJF-LLVKDONJSA-N 430.942 5.201 30 20 IKED C=CCn1c(SCC(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1cccc(C)c1 19810529 JRAJCBXEPCRNTD-UHFFFAOYSA-N 442.972 5.141 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1csc(-c2cccs2)n1 26770539 CUGQDAXNDFDHTR-UHFFFAOYSA-N 435.324 5.124 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 62905928 DXTYTCGGQDLBFG-UHFFFAOYSA-N 427.479 5.087 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)o1 97472946 PDLUMMCCKVDJGH-SANMLTNESA-N 448.482 5.126 30 20 IKED Cc1ccsc1-c1nnc(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)o1 97552913 ZYTKIRWPIKIFIL-AWEZNQCLSA-N 438.559 5.199 30 20 IKED O=C(/C=C\c1ccc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc([N+](=O)[O-])c1 108630139 SXMAMABIMAQBRJ-XSYHWHKQSA-N 428.400 5.295 30 20 IKED CC(C)COc1ccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1Cl 110943268 LDJQDYFOJSOWLB-UHFFFAOYSA-N 427.932 5.040 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cccc(N2CCCC2=O)c1 195635240 SVUMSUAJHCUYMZ-UHFFFAOYSA-N 440.503 5.108 30 20 IKED CCn1c2ccccc2c2cc(C=Nn3cnc4sc5c(c4c3=O)CCCC5)ccc21 254523144 ZPHXRJLTOBUVGY-UHFFFAOYSA-N 426.545 5.347 30 20 IKED N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC(C(F)(F)F)(C(F)(F)F)C1 301304772 XREGFHZYSAUHKV-UHFFFAOYSA-N 425.279 5.029 30 20 IKED Cc1sc(NC(=O)CSCc2ccc(C#N)cc2)nc1-c1ccc(OC(F)F)cc1 302942513 LNQHSJWCAKAOFW-UHFFFAOYSA-N 445.516 5.464 30 20 IKED C[C@H]1C[C@@H](N(C)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCN1Cc1ccccc1 303729698 DHSXQPYVMOLGKY-OFVILXPXSA-N 439.559 5.476 30 20 IKED CN(C[C@H](O)Cc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 432676336 FLTCKEKNBQUTTA-GGAORHGYSA-N 433.939 5.063 30 20 IKED C=CCC[C@H](NC(=O)N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1 435100742 JQQDGMFZDAXTQF-DQEYMECFSA-N 448.588 5.186 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(c2ccc(C(F)(F)F)cc2)CC1 436105299 OYPLPUWMKKWRLT-UHFFFAOYSA-N 437.421 5.743 30 20 IKED COc1ccc(CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1OC(F)F 436403627 BAEWKHFUPRYHOV-AWEZNQCLSA-N 443.334 6.099 30 20 IKED CCCc1c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cnn1-c1cccc(C#N)c1 440079558 YVAJCFNPXZMRSS-UHFFFAOYSA-N 448.486 5.008 30 20 IKED CSc1ccc(C)c(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 441807007 DGAJCPMVCXZHQI-HXUWFJFHSA-N 449.963 5.603 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cc(-c2nnco2)ccc1C)c1ccc(C(F)(F)F)cc1 442205967 YGQYQIZRDZDDOS-GOSISDBHSA-N 430.430 5.893 30 20 IKED N#Cc1c(NC(=O)c2c(F)cc(Br)cc2F)sc2c1-c1ccccc1CC2 446023829 JTNZJQYYXYHWLY-UHFFFAOYSA-N 445.288 5.678 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 463735457 LEVCFFWRZRWATB-ZVZYQTTQSA-N 444.398 5.911 30 20 IKED CCOc1ccccc1Oc1ccccc1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 464418851 BOUYYADEKBUJKR-KRWDZBQOSA-N 426.394 5.781 30 20 IKED Cc1cc(-c2cc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)c3c(C)noc3n2)c(C)o1 464466952 XQABMOQTECMHKS-INIZCTEOSA-N 440.381 5.312 30 20 IKED CCN(C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)c1ccc(Br)cn1 465459448 PGZSQLDXOFLMAO-UHFFFAOYSA-N 436.309 5.483 30 20 IKED COc1ccc(O[C@H](C)CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 466209562 QJOZNCFBBZRIHF-GOSISDBHSA-N 431.492 5.257 30 20 IKED Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 469029531 QTGQHTGOVGRIRS-UHFFFAOYSA-N 443.890 6.006 30 20 IKED N#CCCCn1cc(C(=O)Nc2cccc(-c3ccc4c(c3)OCCO4)n2)c2ccccc21 469377402 QHDZDWZMJICWGV-UHFFFAOYSA-N 438.487 5.031 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc4nccnc4cc3F)cc2Cl)c1 470879611 JTNWFNUYJWOCPI-UHFFFAOYSA-N 432.842 5.125 30 20 IKED N#Cc1cccc(-c2nnc(CNc3ccc(C(=O)N4CCC[C@@H]4c4ccccc4)cc3)o2)c1 471671138 LBVORDXJEZSICL-XMMPIXPASA-N 449.514 5.198 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1 474436117 UVZYPADMCMXTNM-MRXNPFEDSA-N 431.439 5.963 30 20 IKED COc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(OC(F)F)c1 475257445 DVZLWPSDWLCOMT-UHFFFAOYSA-N 438.430 5.194 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc4c(c3)CCC(=O)N4CC3CC3)c2)cc1 476341237 KRCFKFOVUUSMLV-UHFFFAOYSA-N 437.499 5.292 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1 477879827 OUJFYFFOEJOZND-UKILVPOCSA-N 439.515 5.050 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C(=O)N(CC=C)CC=C)cc1 480830614 QKGKTIOMLDVYHL-UHFFFAOYSA-N 429.973 5.436 30 20 IKED C=CCn1c(Sc2ncnc3scc(-c4ccccc4)c23)nnc1-c1ccccn1 481833093 ANJQKLFEZPMJAN-UHFFFAOYSA-N 428.546 5.349 30 20 IKED C=CCSc1ccccc1C(=O)Nc1cc(NC(=O)CN2CCCC[C@@H]2C)ccc1F 485765614 GAZXQRAVKGZGGF-KRWDZBQOSA-N 441.572 5.169 30 20 IKED COc1cc(CN(C)C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)ccc1SC 499995440 OCLSQPTXCKVIJE-UHFFFAOYSA-N 448.592 5.083 30 20 IKED C[C@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1ccc(-c2cccc(C#N)c2)cc1 501876945 YKANBFZCQIQEIS-SFHVURJKSA-N 428.492 5.079 30 20 IKED N#Cc1ccc(SCC(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)cc1 502078485 LKRNKKDOZZFUQO-UHFFFAOYSA-N 446.919 5.678 30 20 IKED C[C@@H](CC#N)N(C)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 505149184 QYEOEADWPRBWDO-KRWDZBQOSA-N 443.938 5.174 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1Cl 510023627 NUMIBNIYZQBDAT-OAQYLSRUSA-N 448.929 5.489 30 20 IKED CCN(C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccc(C#N)cc1 510400176 XKOXZKYAPREXKC-UHFFFAOYSA-N 435.553 5.060 30 20 IKED CC(C)c1cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c2cnn(C(C)C)c2n1 512969498 HTUYARHHBWBAOT-QGZVFWFLSA-N 430.537 5.144 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COc1c(Cl)cc(Cl)cc1Cl 515392397 TWNVSBHXNFKELX-NSHDSACASA-N 429.756 5.916 30 20 IKED CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 517520651 QNNBFHWVZOGPPH-UHFFFAOYSA-N 449.532 5.136 30 20 IKED COc1cccc(C[C@@H]2CCCN2C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1 518034185 IDWWRFFCINQIQQ-FQEVSTJZSA-N 430.479 5.346 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl 518740863 XZGCJAKHCQIJCY-AWEZNQCLSA-N 441.318 5.800 30 20 IKED C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 518905367 UXUWMHRKKLEJDF-HYBUGGRVSA-N 425.532 5.110 30 20 IKED COc1ccc(CN(Cc2ccccc2)C(=O)Nc2cc(C#N)ccc2OC(F)F)cc1 519173809 DVPYGSUEGVYSMZ-UHFFFAOYSA-N 437.446 5.403 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 520196990 NBSYOLYEXQKSEM-QRWLVFNGSA-N 439.972 5.379 30 20 IKED Cn1cnnc1Sc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1 520723872 ZVPJMFAXSQQVPH-UHFFFAOYSA-N 445.479 5.022 30 20 IKED Cc1cnn(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cc2)c1 521734470 PBWGZTXCNKWWER-UHFFFAOYSA-N 430.455 5.458 30 20 IKED CC[C@H](c1ccccc1)c1nnc(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)o1 524311914 POUSPOJKIVLIKT-OXQOHEQNSA-N 438.528 5.178 30 20 IKED CN1CCC[C@@H](CNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)[C@H]1c1cccs1 525571093 KLHGCPWDBKSVJC-RDPSFJRHSA-N 430.577 5.176 30 20 IKED N#Cc1ccc(-c2nnc(CSc3nnc(-c4ccccc4)n3-c3ccccc3)o2)cc1 525625174 BOKMBCSLEPGASJ-UHFFFAOYSA-N 436.500 5.148 30 20 IKED C=CCOc1cccc(CN[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)c1 525694964 AHBBOUZQVZNOOM-SANMLTNESA-N 435.589 5.151 30 20 IKED CCN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)Cc1cccc(Br)c1 532929342 UQRDVMCQKBCLRX-INIZCTEOSA-N 446.414 5.304 30 20 IKED C[C@@H]1C[C@H](C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CCO1 541228999 IHXYTTDIDXYMIP-JRKPZEMJSA-N 437.302 5.259 30 20 IKED CC(C)Cn1cc(NC(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)c(C(F)F)n1 542380624 OULFCRMKJIBFGI-CQSZACIVSA-N 426.336 5.180 30 20 IKED CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)cc1F 542897691 JZCMMODSZJFGQF-XOBRGWDASA-N 447.963 5.325 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 543564215 PIMGJBYXXVQEBH-PXDATVDWSA-N 445.494 5.840 30 20 IKED Cc1ccc([C@@H]2CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)C2)cc1 544223201 ZVOCKLGDFMMSCZ-XMMPIXPASA-N 425.532 5.662 30 20 IKED N#CCCCn1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2ccccc21 562496779 NIJBXMIDJWMIRC-LJQANCHMSA-N 444.947 6.212 30 20 IKED CCOc1ccc(SCC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 563317154 YVFWJUQCPRHDBT-DEOSSOPVSA-N 432.545 5.137 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1)[C@@H]1C[C@H]1C 563742925 IPZIBCJLMMAHRZ-VOIUYBSRSA-N 443.478 5.503 30 20 IKED COCCC[C@@H](c1ccc(Cl)cc1)c1noc(-c2cc(-c3cccc(C#N)c3)no2)n1 568695896 NOGIOOYVMGIISH-IBGZPJMESA-N 434.883 5.475 30 20 IKED N#Cc1cc(Oc2ccc(NCc3coc(-c4ccc(C(F)(F)F)cc4)n3)cc2)ccn1 569416941 ORGSUCJUMCOCEJ-UHFFFAOYSA-N 436.393 6.031 30 20 IKED Cn1ccnc1SCc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)o1 603639832 MSARCZLSHXKTKS-UHFFFAOYSA-N 444.516 5.008 30 20 IKED C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 604445919 QAVCOJKTBRIXAO-TXTKFYIRSA-N 433.621 5.328 30 20 IKED N#C[C@]1(NC(=O)c2oc3ccccc3c2CSc2ccccc2Cl)CCSC1 604468003 GMHOYNQWAVSBSM-OAQYLSRUSA-N 428.966 5.508 30 20 IKED Cc1ccc(C[C@H](NC(=O)Nc2cccc(C#Cc3ccccn3)c2)c2ccccn2)cc1 605417160 GUMYCIYETLJZET-MHZLTWQESA-N 432.527 5.290 30 20 IKED Cc1ccc(-c2cc(C(=O)N(C)c3ccc(C#N)cc3F)c3cnn(C(C)C)c3n2)s1 608798224 KGWDCVNJISUGQS-UHFFFAOYSA-N 433.512 5.337 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(Cl)c2ccccc2n1C 609072179 AXROGODNWADWNT-UHFFFAOYSA-N 429.907 5.843 30 20 IKED COc1ccccc1C[C@H]1CCCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609209595 DFASHJIWCVYTFS-JOCHJYFZSA-N 427.504 5.598 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 609377099 OJVRUBOVSHXBRT-VLSUOOLDSA-N 447.604 5.350 30 20 IKED COc1ccc([C@H](NC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccc2)cc1 609434943 DPMLZHCEOXTZHS-MHECFPHRSA-N 431.561 6.001 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC(C)(C)Oc1ccccc1 609638259 BNYDYFZFTUXCNM-UHFFFAOYSA-N 429.520 5.425 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1O[C@@H](C)c1ccccc1 609652364 RNFNJLVMHKAUTJ-IBGZPJMESA-N 430.504 5.505 30 20 IKED C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](C#N)c1ccccc1Br 609993887 AXTSILNRRQLODA-SJCJKPOMSA-N 425.248 5.028 30 20 IKED CCOC(=O)c1c(CN[C@@H](C)c2cccc(C#N)c2)nc2ccccc2c1-c1ccccc1 610343694 OHRJJKGAMWIUSH-IBGZPJMESA-N 435.527 5.801 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C3)cc2)c1 610632505 HMRXTEHZBLNCFH-IAGOWNOFSA-N 443.347 5.555 30 20 IKED O=C(Nc1cccc(F)c1)C1CCN(C(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 624589501 XBLFEFDYQKDSCW-UHFFFAOYSA-N 447.535 5.170 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(NC(=O)c4cccs4)c3)n2)cc1 642281233 QOBSBIDHYSHHMM-LJQANCHMSA-N 443.553 5.922 30 20 IKED FC(F)(F)c1ccc(-c2nc(CN3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)co2)cc1 677376326 YCYWMQSRQUPAMK-STQMWFEESA-N 446.313 5.923 30 20 IKED CN(Cc1ccc(F)c(Cl)c1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 683374343 HENVQVYHNGRJEH-GHMZBOCLSA-N 434.783 5.530 30 20 IKED COc1ccc(OC)c(NC(=S)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1 726485017 IXPWODIDRSUAIT-UHFFFAOYSA-N 435.524 5.427 30 20 IKED N#CCOc1cccc(NC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)c1 727755295 QHSJWMNZWSSAAO-UHFFFAOYSA-N 432.479 6.088 30 20 IKED Cc1csc(Sc2ccc(NC(=O)NCc3ccc(OCC#N)cc3)cc2Cl)n1 727936999 ZPTIUTBMJRYTEM-UHFFFAOYSA-N 444.969 5.480 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)c1sc2cc(Br)ccc2c1Cl 729845828 STFCIYJSPXMMJD-UHFFFAOYSA-N 434.746 5.268 30 20 IKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(C2CCC2)C1=O)NCc1ccccc1 730459990 RJRZAHMVIWEIGS-HSZRJFAPSA-N 443.572 5.030 30 20 IKED O=C1/C(=C/c2coc(-c3ccccc3)n2)CSC/C1=C/c1coc(-c2ccccc2)n1 731835848 SQKSWFSEZJILTK-UHWBUFEVSA-N 426.497 5.780 30 20 IKED Clc1ccc(-c2noc(NN=Cc3cn(-c4ccccc4)nc3-c3ccncc3)n2)cc1 732925225 GMMKXLVHDFDYAL-UHFFFAOYSA-N 441.882 5.084 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)cc1C 733155656 QYNXCUFIMMJDGU-INIZCTEOSA-N 446.942 5.101 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(Cl)c2SCC(F)F)c1 737027113 NBYCGDCIFRVHMN-CQSZACIVSA-N 439.915 5.700 30 20 IKED N#Cc1cc(NC(=O)Nc2ccc(Oc3cccc(F)c3)cc2)ccc1N1CCC(O)CC1 743115059 IUVXUZQJOJDPGR-UHFFFAOYSA-N 446.482 5.095 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(Cc2ccoc2)C2CCCCC2)ccc1OC 745819646 OAXZECAEKROJPY-OAQYLSRUSA-N 425.529 5.014 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(Oc2ccccc2Cl)cc1 747109227 YKZHSEVYEYYZCG-INIZCTEOSA-N 425.271 5.747 30 20 IKED C=CC[C@@H](NC(=O)C(=O)Nc1ccc(Sc2cc(C)ccc2C)cc1)c1ccncc1 749723791 FDDOFDAUHNYEGV-JOCHJYFZSA-N 431.561 5.222 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(Cl)c(Br)c1 753532231 IWGRCXDXQDFOAT-HNNXBMFYSA-N 427.685 5.217 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2C)c1 754470563 MMOFHEXUQHBKMF-LJQANCHMSA-N 438.528 5.345 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)cc1 755774548 DDJBSOHINKMBNQ-RTWAWAEBSA-N 432.474 5.021 30 20 IKED CC(C)[C@@H](C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(F)cc1 756377598 NLJKYGDPVQIMRS-KSFYIVLOSA-N 428.529 5.141 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc(Oc3ccc(Cl)nn3)cc2)c1 758474579 VEIUYESZRITFQT-GOSISDBHSA-N 449.942 5.286 30 20 IKED CCOc1ccc([C@@H](NC(=O)Cc2cccc(OCC#N)c2)c2cccc(Cl)c2)cc1 760597857 GRXPEUYMOBCLOE-RUZDIDTESA-N 434.923 5.089 30 20 IKED C[C@H](CC(=O)[C@H](C#N)c1nc2ccccc2s1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 763469571 HOFMIVOSPOHOHU-ZACQAIPSSA-N 427.570 5.146 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 767837899 MEVJJLKPZBDRST-KRWDZBQOSA-N 440.475 5.190 30 20 IKED C[C@@H](CSCc1ccccc1)C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 772966298 ZLDPLQNKYQFAMC-YOEHRIQHSA-N 437.590 5.021 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 780168414 DIXAVZUMJNLUKC-QRQCRPRQSA-N 440.927 6.242 30 20 IKED COc1ccc2cccc(CC(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2c1 780333434 MTGGUGDZHJPMRM-GOSISDBHSA-N 434.467 5.669 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 780498718 MSBXCHCPTZTAPE-ZDUSSCGKSA-N 425.382 5.038 30 20 IKED CC(C)(C)OC(=O)NCc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)co1 781450370 HLORXRRXMRUTDZ-AWEZNQCLSA-N 431.901 5.057 30 20 IKED CC(=NOCc1ncc(-c2ccccc2)o1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 784050397 VGQHHGWUPBRPFK-UHFFFAOYSA-N 441.413 5.190 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)cc1 786928904 HARYDRDAMZAHHA-HTAPYJJXSA-N 449.551 5.186 30 20 IKED Fc1cccc(-c2ccc(C=Nn3cnnc3SCc3ccc(Cl)cc3)o2)c1F 790150471 YGEFAAROVCPIGU-UHFFFAOYSA-N 430.867 5.644 30 20 IKED Cc1nc(SC(F)F)sc1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 793044407 QXUGLXHVECSSHC-KRWDZBQOSA-N 429.517 5.603 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C1C[C@@H]2CCC[C@H](C1)C2NC(=O)OC(C)(C)C 795803222 HQXNLELAHXJEQI-OIRDZHBESA-N 439.600 5.015 30 20 IKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)sc2ccc(C#N)cc12 796748895 WUINQNUUGOWDAK-MRXNPFEDSA-N 428.300 5.349 30 20 IKED C[C@H](Oc1ccc(Br)cc1)C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 798815707 ACZCAGWMTAQEPL-GUYCJALGSA-N 427.323 5.216 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3ccc(C4SCCCS4)cc3)CC2)c(F)c1 803556655 KVAVNPFFLPIZOS-UHFFFAOYSA-N 442.581 5.250 30 20 IKED COc1ccc([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(C)c1OC 806200931 PUVWNYQRCQATHN-WZONZLPQSA-N 429.520 5.550 30 20 IKED C#CCN(Cc1ccccc1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 807250710 FDUOGOSGIAMSFZ-JOCHJYFZSA-N 430.470 5.018 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 813216087 NFQYFACDKZPCQU-FNHZYXHNSA-N 447.457 5.179 30 20 IKED CC(C)(C)OC(=O)N1CCCc2c(C(=O)N[C@@H](CCCC#N)c3ccccc3)cccc21 817318596 DHEOXEABYGBSRZ-QFIPXVFZSA-N 433.552 5.539 30 20 IKED C=CCn1c(Sc2ccc(C(F)(F)F)c(Cl)n2)nnc1-c1ccc(OC)cc1 913408863 IJNARNVVJSMBDO-UHFFFAOYSA-N 426.851 5.358 30 20 IKED N#CC(CCOC(=O)Cc1csc(-c2cccnc2)n1)(c1ccccc1)c1ccccc1 914886819 PCCPQLKPBFNMFX-UHFFFAOYSA-N 439.540 5.191 30 20 IKED COc1ccc(N[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1NC(=O)OC(C)(C)C 915224481 OKPXQWUTQQZJJT-CYBMUJFWSA-N 444.919 5.006 30 20 IKED CCOc1cc(/C=C2/CSc3ccccc3C2=O)ccc1OCC(=O)Nc1ccccc1 916154513 MZVHRSHJRRIQEL-RGEXLXHISA-N 445.540 5.475 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12 916916614 XVHZSNPBRQQKIB-LJQANCHMSA-N 445.931 5.886 30 20 IKED COc1ccccc1CCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997597 XJSJBBVAQFUBGX-INIZCTEOSA-N 431.344 5.935 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1nc2ccccc2n1C(F)F 917039642 BICFEAZOBZLMIB-HXUWFJFHSA-N 443.453 5.938 30 20 IKED COc1ccc(-c2nc(S[C@H](C)c3ccc(Cl)cc3Cl)nc(O)c2C#N)cc1 917569606 UTGCAHBPNFOVTL-LLVKDONJSA-N 432.332 5.890 30 20 IKED C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 918414359 BIZZPBVKWOIGQC-GAJHUEQPSA-N 431.923 5.154 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4ccc(C)cc4)n3)n2)cc1 920140712 BEDCBWBAJPIKLE-FQEVSTJZSA-N 445.569 5.670 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@H](C)c3ccc(OC)cc3)cc2)CCC1 1786039335 YAVMTIOZPQTRGZ-HXUWFJFHSA-N 432.564 5.126 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4[nH]ccc4n3)CCC2)cc1 1786102903 CDQGQJIWEKRDGE-UHFFFAOYSA-N 428.536 5.079 30 20 IKED Cc1cccc(-c2cnccc2C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)S)CCC3)cc2)c1 1788358829 VNRJJTDUXFYWAZ-GOSISDBHSA-N 445.588 5.123 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2csc(C)c2C)[C@H]1c1cccnc1 1802495984 HPWLQQQYVVXZKO-IRLDBZIGSA-N 439.625 5.072 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)ccc2OCC)CC1 1831375131 ZULSRCCUUIZMTE-XMSQKQJNSA-N 447.019 5.184 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2cccc(O)c2)cc1 10173415 OPTBBCPDXKLSRA-UHFFFAOYSA-O 446.379 5.600 30 20 IKED C=CCn1c(SCc2nc(-c3cccs3)oc2C)nc2cc(Cl)ccc2c1=O 11657162 CDYXVXHVBSNGQZ-UHFFFAOYSA-N 429.954 5.553 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)nc2ccccc2c1=O 15231016 BXMIXUNPEPMTPU-QHCPKHFHSA-N 441.556 5.363 30 20 IKED C=CCn1c(SCc2cc(C)on2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 20055525 JJMOQHSHWLISDV-UHFFFAOYSA-N 427.526 5.347 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(Nc3cccc(F)c3)s2)cc1 26525937 DNQFEDGUZOTRJG-HNNXBMFYSA-N 441.557 5.157 30 20 IKED CCOc1cccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)c1 72044549 AKTNWDXOXTVKIQ-CSKARUKUSA-N 428.460 5.401 30 20 IKED Cc1ccc(Br)cc1NC(=O)CCNc1ccc(C#N)c(C(F)(F)F)c1 78721831 ZXKVAIZVQATBKH-UHFFFAOYSA-N 426.236 5.089 30 20 IKED COc1ccc2[nH]cc(C3CCN(C(=O)c4ccccc4-c4ccccc4C#N)CC3)c2c1 108867991 HLXYHMFFSRJBMC-UHFFFAOYSA-N 435.527 5.735 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 303277577 JDKFSWUWYMUHHR-HKUYNNGSSA-N 429.545 5.083 30 20 IKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cnn1-c1ccccc1Cl 303457153 MSBPGLVWYSSZCE-UHFFFAOYSA-N 442.906 5.537 30 20 IKED C=CCn1c(-c2sc(NC(=O)C(C)(C)Oc3cccc(Cl)c3)nc2C)n[nH]c1=S 303535501 SDMSQCXQNIBIGJ-UHFFFAOYSA-N 449.989 5.008 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1-c1ccccc1 428336887 SOORIIKMLPNNNH-UHFFFAOYSA-N 449.539 5.993 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c2cc(Br)ccc2n1 430599922 QXGLYYHPMZYOOU-HNNXBMFYSA-N 428.355 5.550 30 20 IKED COc1cc(Cl)c(Br)cc1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 430642816 KZRZNTZEWJRKAO-JTQLQIEISA-N 427.751 5.355 30 20 IKED C=CCC[C@H](NC(=O)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 433894164 ACBIDVSHOIZTNV-HYVNUMGLSA-N 438.412 5.058 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(Cl)cc(Br)c1F 435865130 NZAFAELUVORKCR-JTQLQIEISA-N 427.726 5.746 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc(-c2cccc(F)c2)no1 438223215 DKHGUWWSLVNGQR-OAHLLOKOSA-N 443.438 5.422 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)Nc1ccc(OCC2CCCCC2)cc1 439191595 RDXODZDPQRFNLZ-UHFFFAOYSA-N 437.565 5.229 30 20 IKED COc1cccc(Oc2ccc(N[C@H](C)C(=O)N(CCC#N)c3ccccc3OC)cc2)c1 439565752 BSXHOMZSLAYIOP-LJQANCHMSA-N 445.519 5.243 30 20 IKED N#CC1CCC(CNC(=O)C(=O)Nc2ccc(Cl)cc2-c2ccc(Cl)cc2)CC1 443333089 JMBHBTSTZATTIY-UHFFFAOYSA-N 430.335 5.045 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@@H]2CC(=O)c2cccs2)c1 443650143 HLYKLQOTNWRQRT-OAQYLSRUSA-N 430.529 5.076 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 443822096 CHQAPMYGMKQDMW-UHFFFAOYSA-N 436.559 5.407 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl 461084011 GXGMZRAXBYZBGW-LBPRGKRZSA-N 442.894 5.589 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)nnc1-c1cccc(OC)c1 461741912 ZSLFVHNMWOCBCD-HNNXBMFYSA-N 442.972 5.221 30 20 IKED N#Cc1ccc(S(=O)(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)c(C(F)(F)F)c1 462666710 XCLIPDGIIIEPPH-UHFFFAOYSA-N 446.425 5.135 30 20 IKED N#C[C@H](C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1cc(C(F)(F)F)ccn1 464430210 RKQLDNBNSIDBMY-SFHVURJKSA-N 441.365 5.078 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@H]3CCc4c(F)ccc(Br)c43)ccc21 468975071 LRADPZXMPWHCIA-IBGZPJMESA-N 442.332 5.271 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1 480564602 CJDCHNMEOAEXRO-KUHUBIRLSA-N 433.936 5.479 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)cc1 480888202 XDUMQPZDLVBKNH-UHFFFAOYSA-N 448.454 5.949 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]3Cc3cccc(F)c3)cc2F)c1 481633115 XORCUUKWVALPNY-HSZRJFAPSA-N 447.485 5.654 30 20 IKED Cc1nc2ccc(Br)cn2c1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 483483275 FLYOVWUDEKVISH-HNNXBMFYSA-N 437.322 5.019 30 20 IKED O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1c(F)ccc(Br)c1F 486119311 UYQUJMSWICBJKM-ZDUSSCGKSA-N 430.117 5.039 30 20 IKED CC(C)n1ncc2c(C(=O)N[C@@H](CCCC#N)c3ccccc3)cc(-c3ccco3)nc21 487400620 DTSPYWMGZZEUSW-NRFANRHFSA-N 427.508 5.437 30 20 IKED C=CCC[C@H](C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC)c1ccccc1 487585148 DRJPZDBLXWPTQJ-NRFANRHFSA-N 444.531 5.645 30 20 IKED Cc1ccsc1-c1nnc(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)o1 488777538 CBPHXIRCVMKUOP-GFCCVEGCSA-N 430.580 5.089 30 20 IKED C[C@H](Sc1nnc(-c2ccc(Cl)s2)o1)C(=O)Nc1ccc(C#N)c(Cl)c1 488857054 NFCMNVRXYJSUIH-QMMMGPOBSA-N 425.322 5.096 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(N3CCCC3)cc2C)nnc1-c1ccccc1C 488925724 MCOPHTJBHFWZEF-UHFFFAOYSA-N 447.608 5.079 30 20 IKED CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cc1Cl 489192796 BYFRKSKZSWUAIW-NRFANRHFSA-N 441.959 5.172 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccc(C)cc1 489646032 YHWINDCWBWKUJW-IBGZPJMESA-N 434.609 5.991 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2OC)C(C)C)nnc1-c1ccc(C)cc1 489655996 FRHIBQYAJRQTPY-OAQYLSRUSA-N 436.581 5.204 30 20 IKED O=C(c1ccc(OCC(F)(F)C(F)F)nc1)N1CC[C@@H](C(F)(F)F)c2ccccc21 492122474 NNJMXOSFAIKDDV-CYBMUJFWSA-N 436.327 5.057 30 20 IKED Cc1cccc(-c2cncc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)c2)c1 493471863 GOXFSKRRFHDAAD-UHFFFAOYSA-N 443.557 5.325 30 20 IKED N#C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1c(Cl)cccc1Cl 499808217 DOJMITNFPZWLDD-INIZCTEOSA-N 436.751 5.694 30 20 IKED COc1cc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc(OC)c1OC 502616328 DOLCKLCHDRJRGO-UHFFFAOYSA-N 433.464 5.329 30 20 IKED Cc1oc(-c2ccco2)nc1CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 503062264 CTMNDPXGYKZDNW-UHFFFAOYSA-N 427.460 5.069 30 20 IKED C=CCN(C(=O)CSc1ccccn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 503395329 DBQVXCAVIGNVHS-UHFFFAOYSA-N 436.389 5.823 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)[C@H]3CC=CC[C@H]3c3nc4ccccc4s3)CC2)cc1 503892277 NQNAJKNFBFTQFV-YADHBBJMSA-N 425.557 5.534 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N(CCC#N)CCC(C)C 505198177 UGJDZDJPIBUXSS-UHFFFAOYSA-N 435.952 5.503 30 20 IKED CCCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H](C)CC(=O)Nc1ccccc1 505309671 FGNSWTZKQBQLIL-RBUKOAKNSA-N 438.597 5.742 30 20 IKED N#C[C@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1ccc(Cl)cc1 505827445 RACAPLFMZWTLMB-IBGZPJMESA-N 444.844 5.417 30 20 IKED O=C(CN[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)Nc1ccc(F)cc1Cl 505905247 BMMXQAOOUGNOFZ-OAHLLOKOSA-N 428.735 5.330 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](COc3ccccc3)C2)cc1Cl 506361927 FZRTYOLGWMPHKW-YADARESESA-N 445.950 5.928 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@H](COc4ccccc4)C3)cc2F)c1 506912616 CAWXRCLXDHKTNK-NRFANRHFSA-N 445.494 5.209 30 20 IKED CCCNc1ccc(C#N)cc1NC(=O)c1ccc(Br)cc1Br 507545163 DNILXBFRJLEVGK-UHFFFAOYSA-N 437.135 5.157 30 20 IKED C=CCn1c(-c2ccccc2F)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 508901806 HDLDFXWYEVNIKJ-ZDUSSCGKSA-N 437.466 5.130 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H]3c3cccc(Cl)c3)c2)cc1 509903562 BZKATSGDCFCGJV-RUZDIDTESA-N 445.950 6.354 30 20 IKED CS(=O)(=O)c1ccc(Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c([N+](=O)[O-])c1 515607325 KAPATTVZSWDDSU-UHFFFAOYSA-N 443.868 5.059 30 20 IKED N#Cc1c(NC(=O)Cc2csc(Cc3ccccc3)n2)sc2c1-c1ccccc1CC2 515626076 PTGNQBKYYHNUJW-UHFFFAOYSA-N 441.581 5.614 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccc(C(C)=O)cc4)o3)n2)cc1 517800677 ARQBCBFGOFBHJG-HXUWFJFHSA-N 442.496 5.771 30 20 IKED Cc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1NC(=O)C(C)(C)C 520341790 OLBZKSVDSXIILU-UHFFFAOYSA-N 441.531 6.090 30 20 IKED C=CCN(CCc1ccccc1)C(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C 521547501 NGUZFEHEOZEFIH-UHFFFAOYSA-N 442.485 5.280 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)c3nc(C4CC4)n(-c4ccccc4Cl)n3)n2)cc1 522147267 MJYGHLXZBYDEBE-UHFFFAOYSA-N 446.923 5.046 30 20 IKED CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 523944751 MIMMTUXILUKZAE-OAHLLOKOSA-N 449.894 5.230 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(Oc2ccccc2)cc1 523969704 AWYVWEAYMDILER-GOSISDBHSA-N 427.504 5.096 30 20 IKED Cc1cccc(NC2CCN(C(=O)c3ccc(OCc4ccccc4C#N)cc3)CC2)c1 525489668 OPUAHLRZJCLSCY-UHFFFAOYSA-N 425.532 5.162 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NCc1ccc(C#N)cc1F 533446241 KOLVNOHYRXZNEJ-GFCCVEGCSA-N 430.346 5.743 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)[C@H]2COc3ccccc32)cc1 533630354 LYEVCHNCOOFZQJ-HRAATJIYSA-N 429.476 5.045 30 20 IKED CCCN(Cc1ccc(C#N)cc1)Cc1csc(N(C(C)=O)c2ccccc2CC)n1 535980033 FXOYBUHOSPESSJ-UHFFFAOYSA-N 432.593 5.674 30 20 IKED C=CCN(Cc1ccc(OC)cc1)Cc1csc(N(C(C)=O)c2ccccc2CC)n1 535981646 KCWWXMXDLMDOCK-UHFFFAOYSA-N 435.593 5.587 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 539754703 ITKVTIQMEKSQDW-UHFFFAOYSA-N 434.455 5.250 30 20 IKED CN1CC[C@H](CNC2CCC(C#N)(c3ccccc3)CC2)[C@H]1c1ccc(Cl)c(F)c1 540146780 LZGHPXIRIPGITG-ZYRNCMQXSA-N 425.979 5.466 30 20 IKED CCc1ccc([C@@H](N[C@@H](C)c2ccc(C#N)c(F)c2)c2cccc(S(C)(=O)=O)c2)cc1 540710995 YZHKBWYRJZVGSU-SSOJOUAXSA-N 436.552 5.103 30 20 IKED N#CC1(c2ccc(C(=O)N3CCC(C(=O)Nc4ccc(Cl)c(Cl)c4)CC3)cc2)CC1 540754952 DGUFPKMRHRNYBO-UHFFFAOYSA-N 442.346 5.039 30 20 IKED N#Cc1ccc(CN2CCC(Nc3cccc(C[S@@](=O)Cc4ccccc4)c3)CC2)cc1 540974628 RYNDOWLZSWTLPJ-YTTGMZPUSA-N 443.616 5.084 30 20 IKED CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 541157623 USPABJGLZDUMHY-ROUUACIJSA-N 426.520 5.305 30 20 IKED COc1cccc([C@H]2[C@H](c3ccccc3)CCN2CCC(=O)Nc2sccc2C#N)c1 543190818 XEUWZGFDAJBCDP-UPVQGACJSA-N 431.561 5.188 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)Nc2ccccc2-c2nc3ccccc3s2)CC1 548802637 KKGIBUZLLXXTHU-UHFFFAOYSA-N 439.544 5.448 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3F)s2)nnc1-c1ccc(C)cc1 551448442 KOQOHZOQQVDBQQ-OAHLLOKOSA-N 437.569 5.950 30 20 IKED Cc1ccc2nc(-c3cccnc3)cc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)c2c1 556075817 KRFAIHBDBNQVBB-IBGZPJMESA-N 432.405 5.509 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)c(F)c1 557110792 ATHRVXHYZWMPBQ-UHFFFAOYSA-N 428.507 5.289 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 560147758 DWDIJSGBYGQLIZ-PKTZIBPZSA-N 449.986 5.037 30 20 IKED O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1cc(F)c(F)c(F)c1F 560811208 JNCVBXBEAUGLGA-GOSISDBHSA-N 435.339 5.160 30 20 IKED N#CCCCCCC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 588675115 YMCUBFIGDQVMHH-AWEZNQCLSA-N 434.302 5.918 30 20 IKED N#C[C@@H](C(=O)c1cnc(Cc2ccc(F)cc2)s1)c1nc2ccccc2n1C(F)F 589244813 IRRWMZYQAICINV-AWEZNQCLSA-N 426.423 5.108 30 20 IKED COc1ccccc1[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1ccccc1 589639683 HEKIOXKZQFRLTB-DEOSSOPVSA-N 435.531 5.215 30 20 IKED C[C@@H](Sc1nnc(-c2ccc3ccccc3c2)o1)C(=O)N(CCC#N)c1ccccc1 603726456 JYWWOEJRZJHNBA-QGZVFWFLSA-N 428.517 5.317 30 20 IKED CCc1c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cnn1-c1ccc(C)cc1 603740206 WDZARVURUXJVHE-UHFFFAOYSA-N 437.503 5.363 30 20 IKED C[C@H](Oc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cn1)c1ccccc1 603740249 YNURXTXIKGGWQT-SFHVURJKSA-N 436.471 5.533 30 20 IKED Cn1c(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc2cc(C(F)(F)F)ccc21 608116890 UJFKYJJXRIDJRS-VXGBXAGGSA-N 446.313 5.400 30 20 IKED N#C[C@H](C(=O)c1cc(Oc2ccccc2)ccn1)c1nc2cc(C(F)(F)F)ccc2s1 608752485 RRNWKNIVZYBTLY-MRXNPFEDSA-N 439.418 5.992 30 20 IKED CC(C)(C)OCc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1 608791686 NXYLHSDCDYGAOU-UHFFFAOYSA-N 430.508 5.382 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(OCc2cccnc2)c1 609061153 SZKYJJRNZIKLOA-UHFFFAOYSA-N 449.510 5.672 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)N(C)C[C@@H](C)C#N)cc2Cl)c(Br)c1 609319027 KGODYCKZQPJSJW-ZDUSSCGKSA-N 436.737 5.827 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C3(c4ccccc4Cl)CCOCC3)cn2)cc1 609326796 DFFPHZLMGZAOIG-UHFFFAOYSA-N 433.895 5.086 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 609438218 GCMRUUKVUZDNRI-INIZCTEOSA-N 436.512 5.729 30 20 IKED CCOc1ccc(-c2nc(CC(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)cs2)cc1 609460530 KLIYHFSIGIDZFL-LJQANCHMSA-N 446.359 5.439 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc(NC(=O)c4ccccc4)c3)cc2)cc1 609502142 POYTZPWQNYDWMK-UHFFFAOYSA-N 447.494 6.050 30 20 IKED Cc1ccccc1CN(Cc1cccnc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 609601540 WDQGTJUFKDDKES-UHFFFAOYSA-N 449.514 5.683 30 20 IKED Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)Nc3ccncc3C#N)cc12 609785423 JYGIPXHWAPJTLX-UHFFFAOYSA-N 442.331 5.280 30 20 IKED CC1(C)CN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CCCO1 610331729 PFQXCFLYXUDFHD-UHFFFAOYSA-N 433.430 5.402 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 610639847 IDZCIFWHMSLEGH-ONIAQPFYSA-N 447.423 5.377 30 20 IKED N#CCC[C@H](NC(=O)Nc1ccc(C(F)(F)F)cc1Br)c1ccccc1 611095916 WIKLLSAUNTUVGH-HNNXBMFYSA-N 426.236 5.634 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1sc(-c2ccccc2)nc1C(F)F 611184580 KAUOIOXMVLDYLR-UHFFFAOYSA-N 429.448 5.484 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)nnc1-c1ccncc1 613365212 PCXXTWXBRWMZAD-QZTJIDSGSA-N 443.576 5.037 30 20 IKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)sc2C)cc1 613391934 ACDJZFRSFFROHS-HXUWFJFHSA-N 430.554 6.346 30 20 IKED CC(C)OCCCn1c(S[C@@H](C#N)c2ccc(Cl)cc2)nc2ccccc2c1=O 619863760 BIBHMGNOIBKXIL-FQEVSTJZSA-N 427.957 5.222 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1OCC 642282654 QETZKXCTKCACNR-AWEZNQCLSA-N 447.869 5.762 30 20 IKED O=C(c1ccc(-c2ccc(C(F)(F)F)cc2)o1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 644905494 HNGBSYLQJAHWDJ-VXGBXAGGSA-N 445.281 5.778 30 20 IKED CN(Cc1ccc(Cl)c(F)c1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 677825094 HQPLHLWOHFZKBY-GHMZBOCLSA-N 434.783 5.530 30 20 IKED O=C(c1ccc(Br)c(Cl)c1F)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 683445614 CGRSQWNBLGISCR-RNFRBKRXSA-N 442.556 5.054 30 20 IKED N#Cc1ccccc1-c1ccc(COC(=O)C2CCC(NC(=O)C3CCCC3)CC2)cc1 726057681 WWULLWVEUYGNSO-UHFFFAOYSA-N 430.548 5.134 30 20 IKED COc1cc([C@H](C)NC(=S)Nc2ccc(C#N)c(Cl)c2)ccc1OC1CCCC1 726463998 FILMOCBTHMSPJD-AWEZNQCLSA-N 429.973 5.589 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Br)cc2)[n+]2ccccc2)c1 726572692 JNVAGNRWSGNKNS-UHFFFAOYSA-O 436.354 5.041 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)c(C)c(C)c2C)[n+]2ccc(C)cc2)c1 726572838 POLKOWXOWOVTDC-UHFFFAOYSA-O 427.593 5.821 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)CCc1ccc2ccccc2c1 731075232 XRLIKEPIIYLBBS-GOSISDBHSA-N 432.545 5.206 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4ccc(C)c(OC)c4)CCCC3)n2)cc1 731137561 LKEXCTUDIBYMQA-OAQYLSRUSA-N 446.572 5.824 30 20 IKED C=CCn1c(SCc2ccc(OCC#N)cc2)nc2sc(-c3ccccc3)cc2c1=O 731156275 NFLGGKVVSWIKRR-UHFFFAOYSA-N 445.569 5.506 30 20 IKED Cc1ccc(NC(=O)c2cccc(OC(=O)CCCCOc3cccc(C#N)c3)c2)cc1 731986762 PXYODXQOKBLXOO-UHFFFAOYSA-N 428.488 5.274 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)/C=C/c2cccc(OC3CCCC3)c2)ccc1OC 733232704 XXWAEPVYYHYRJK-ZISLFAKRSA-N 434.536 5.027 30 20 IKED C#CC[C@H](OC(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C)c1ccccn1 733693451 YUDYCMHMVMHVTD-NRFANRHFSA-N 428.319 5.041 30 20 IKED CC(=O)Nc1ccc(C(=O)COC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 735162339 DDCWAEZMNMDBGZ-UHFFFAOYSA-N 448.862 5.002 30 20 IKED CC(C)c1noc2nc(C3CC3)cc(C(=O)OCc3cc(Cl)ccc3OCC#N)c12 735344926 TZHOYOKHNSUZTB-UHFFFAOYSA-N 425.872 5.136 30 20 IKED COc1cc(COC(=O)[C@H]2CSc3ccccc32)ccc1OCc1cccc(C#N)c1 735740035 MOQNHZLYBJOFSG-NRFANRHFSA-N 431.513 5.079 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccoc2)n1)c1nc(-c2ccc(Cl)cc2)cs1 739156463 OJQDQXMRYMHVJH-MRXNPFEDSA-N 425.922 5.599 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)OC(=O)CCc1c(C)nn(CCC#N)c1C 739306428 VFOHSEVMISOFHP-KRWDZBQOSA-N 440.544 5.222 30 20 IKED N#CCOc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)cc1 741603581 MUDJMMSIUKGGKA-UHFFFAOYSA-N 430.398 5.146 30 20 IKED COc1ccc(Cl)c(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 742995554 QFRQYOAAVHDYNR-UHFFFAOYSA-N 441.915 5.747 30 20 IKED CC(=NNc1nc2cc(C(F)(F)F)ccc2s1)c1c(F)cccc1N1CCOCC1 743445198 IVYHDEQQEVZXCA-UHFFFAOYSA-N 438.450 5.127 30 20 IKED Cc1csc(SCc2c(C(=O)N[C@H](C)c3cccc(C#N)c3)oc3ccccc23)n1 743777095 OZTHFMYZIDXURA-OAHLLOKOSA-N 433.558 5.853 30 20 IKED COc1ccc(-c2ncc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)s2)cc1 744032549 GRAODKREYFMYSK-INIZCTEOSA-N 446.315 5.087 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccc(Br)s1 744034566 BUPCGSCANURUCA-PSASIEDQSA-N 425.760 5.754 30 20 IKED Cc1ccc2c(CCC(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c[nH]c2c1 745947550 DIDVJHUXVPBYGE-INIZCTEOSA-N 427.451 5.914 30 20 IKED COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3ccc(-c4ccncc4)cc3)c2)cc1 745989860 CYPMPWMRPQERGE-RZNTYIFUSA-N 434.495 5.906 30 20 IKED CC(C)(C)OC(=O)NC1(CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCC1 746838549 XFGHXPVNPUILAK-UHFFFAOYSA-N 449.551 5.108 30 20 IKED O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2)c1cccnc1 747003988 VROSRHKKAINSMU-PKNBQFBNSA-N 437.499 5.051 30 20 IKED Cc1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)ccc1N1CCSCC1 749820672 DPDSVOOIKFCIGJ-UHFFFAOYSA-N 445.613 5.823 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCSc1ccnc2cc(Cl)ccc12 751825940 NNOZLYVRACONDN-GOSISDBHSA-N 447.947 5.752 30 20 IKED CN(CC(=O)[C@H](C#N)c1nc2ccccc2s1)Cc1cc(Br)ccc1Cl 755206232 LSYHNMLPPZETBH-AWEZNQCLSA-N 448.773 5.020 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(Cl)c(F)c2)cs1)c1ccc(F)cc1F 765612793 JQGPZOVFHOJTSU-DAXSKMNVSA-N 436.842 5.795 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)n2)cc1 766844198 PYFPSFLABXKBHR-BZUAXINKSA-N 428.435 5.216 30 20 IKED C=CC[C@H](NC(=O)N1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1)c1ccncc1 774873552 JVWMKRCGDAOUPP-CTNGQTDRSA-N 448.592 5.420 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H]2CCCc3cc(SC(F)F)ccc32)ccc1OC 775410556 SLESDISEBIZTGS-XLIONFOSSA-N 432.536 5.858 30 20 IKED C=CC[C@@H](NCc1cn(-c2ccc(Br)cc2)nc1C(C)C)c1ccncc1 776186508 TZOFBFVDGDJUHQ-OAQYLSRUSA-N 425.374 5.560 30 20 IKED Cn1cc(CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(-c2ccncc2)n1 779595489 KCZSEVIYANQJBJ-UHFFFAOYSA-N 429.911 5.198 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 780152882 UISFCPJHELZXKQ-NNNHXZLVSA-N 428.332 5.667 30 20 IKED COC(=O)c1ccc(-c2nc(CSCc3cc(Cl)ccc3OCC#N)co2)cc1 782243640 AUMKIVAROOOWNX-UHFFFAOYSA-N 428.897 5.117 30 20 IKED Cc1nnc(SCc2c(C(=O)O[C@@H](C)c3cccc(C#N)c3)oc3ccccc23)s1 783087411 UAHYGBJUORLWTQ-ZDUSSCGKSA-N 435.530 5.675 30 20 IKED CC[C@@H](C)Oc1cccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 783391854 AQHMKFLZIMRQCJ-HOYKHHGWSA-N 427.504 5.097 30 20 IKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCC#N)c1 784124919 FQPZQSJLIKICSC-QFIPXVFZSA-N 448.592 5.184 30 20 IKED CCn1cc(C(=O)[C@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c2ccccc21 787050358 CROXJIPBCOOMCF-DYVFJYSZSA-N 428.319 5.168 30 20 IKED O=C(COc1ccc(C(=O)/C=C/c2ncc(C(F)(F)F)s2)cc1)Nc1ccccc1 788348396 BJZNEOKUHXOTPC-ZHACJKMWSA-N 432.423 5.076 30 20 IKED N#CCCn1cc(CNc2ccccc2SCc2ccccc2)c(-c2ccncc2)n1 789746377 KGBMXNAYFUUFML-UHFFFAOYSA-N 425.561 5.763 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)s1 797569835 XXDFPBKIDWGAEC-OAHLLOKOSA-N 428.945 5.343 30 20 IKED Cc1nc2ccccc2n1C1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 797613894 OCCFPAXLHGGWCI-VWLOTQADSA-N 449.558 5.869 30 20 IKED CCOC(=O)[C@@H]1C/C(=C/c2csc(COc3ccc(OC)cc3)n2)C(=O)c2ccccc21 802708443 UOQSOAYNGOHXRC-MCZSENPKSA-N 449.528 5.047 30 20 IKED N#CC1CCC(CNC(=O)N[C@H](c2c[nH]c3ccccc23)C(Cl)(Cl)Cl)CC1 806681551 ZXGWTJCDPVQSHG-QWQCLYJRSA-N 427.763 5.208 30 20 IKED CCN(c1ccc(NC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1)C(C)C 812454757 PYYYBYYMDNXMML-OAQYLSRUSA-N 434.565 5.299 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1 813533695 MXUGYXTXBUPTCW-FCHUYYIVSA-N 426.601 5.760 30 20 IKED Cc1ccc(-c2nnc3n2CCCCC3)cc1N=Cc1cc(Br)ccc1O 912782603 XISGTUMFLLCQAI-UHFFFAOYSA-N 425.330 5.199 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(Cl)ccc2Br)cc1 915086354 ULQQZPQYCUHMFJ-IBGZPJMESA-N 425.713 6.010 30 20 IKED CN(Cc1ccc(Br)s1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915354048 UCTQGSLMHHEFIH-LJQANCHMSA-N 440.366 5.830 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1 916680535 JYEDAZUMGSBTSX-SANMLTNESA-N 442.538 5.267 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 916902973 JKMQYWHTUVBLOZ-OPAMFIHVSA-N 427.548 5.379 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1ccc(F)cc1F)c1nc(-c2ccc(Cl)cc2)cs1 916975209 AXOLTLDIDBBSIG-MRXNPFEDSA-N 430.863 5.581 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)C2CCCC2)cc1 918446314 UOTRODVZHVNKHW-CLJLJLNGSA-N 437.543 5.328 30 20 IKED C[C@@H](OC(=O)CSCc1ccc(C#N)cc1)c1cccc(NC(=O)c2ccccc2)c1 919206898 CMOUXRFWBOSOMR-GOSISDBHSA-N 430.529 5.348 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2sccc2NC(=O)c2ccncc2)cc1 920456754 FWVBWKFXCFKMSK-NRFANRHFSA-N 438.512 5.303 30 20 IKED COc1cc(/C=C/C(=O)c2cccc(OC(F)F)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 921261499 KZRODAMFTXNXSA-AATRIKPKSA-N 447.312 5.042 30 20 IKED Cc1ccc(Cc2sc(NC(=O)CN3CCC(c4ccc(C#N)cc4)CC3)nc2C)cc1 1656289314 RHELZEQJYXPZMY-UHFFFAOYSA-N 444.604 5.041 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccccn34)CCC2)cc1 1785842119 NIJVSHSZIPBUNS-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@@H]4C4CC4)cc3)CCC2)c1 1786058267 GLVGMAPCEJQZKV-UOKFIYJESA-N 427.548 5.107 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)nc(CC)c3)CCC2)cc1 1789454330 VVEXRCRYNZLZBQ-DEOSSOPVSA-N 431.580 5.469 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C)cc2OC)[nH]n1 1814445370 KEFLMVCJNLCJEC-HXUWFJFHSA-N 438.572 5.025 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CC2)C1 1823697756 BUWPUVWOOMDAIV-RUZDIDTESA-N 449.570 5.020 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc(F)ccc2F)CC1 1823755320 UHLSAPRFIPAIRI-QHCPKHFHSA-N 446.582 5.119 30 20 IKED Cc1ccsc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1825787025 UXJUNYLLDSAGRY-XXBNENTESA-N 449.620 5.231 30 20 IKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)CC1 1828319486 BLXGIOHSHCSPBF-LJQANCHMSA-N 444.000 5.092 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccsc2)CC1 1828822108 WXQTWYJQMSULRQ-XSOUEMDHSA-N 426.626 5.149 30 20 IKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3Cl)CC2)c1 1830771059 OWIIXTQFHNOWSU-DEOSSOPVSA-N 449.982 5.067 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3sccc3c2O)CC1 1830959005 LXUUZLSDQMXVKU-DYESRHJHSA-N 440.609 5.052 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)c2cccs2)CC1 1832139601 HJMIQXZZDWVONR-DENIHFKCSA-N 428.642 5.240 30 20 IKED CC(C)OCCCn1c(SCc2ccccc2C#N)nc2cc(Cl)ccc2c1=O 10345616 CAMKFGAQJRZUEF-UHFFFAOYSA-N 427.957 5.029 30 20 IKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2cccc(CO)c2)cc1 10831118 PUDCAUNVVNMJRD-UHFFFAOYSA-O 439.988 5.294 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1ccoc1C 16726745 ZPORHTKYNLMXBY-CQSZACIVSA-N 446.960 5.122 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1cccc(C)c1 16862990 CFNCXXSAHFHHRH-HNNXBMFYSA-N 437.956 5.084 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)NCc1ccccc1 22730629 DCRKRSHGLZUWER-UHFFFAOYSA-O 444.407 5.572 30 20 IKED C=CCN(C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C)c1nc2c(s1)CCCC2 22991152 RRFRPGBHOSOWQY-UHFFFAOYSA-N 449.605 5.173 30 20 IKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1-c1cccc(OC)c1 59808297 YNZZPUWLCDDPPA-UHFFFAOYSA-N 439.928 5.135 30 20 IKED CC(C)(CNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc2c(c1)OCO2 60214658 SAEFIEXZAFDLKZ-UHFFFAOYSA-N 430.529 5.146 30 20 IKED Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)cc1 60697552 ZPMCJTNYWVTJCX-OAQYLSRUSA-N 434.952 5.775 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)c1ccc(OC2CCCC2)c(OC)c1 63402015 PIFIBDIJHLCTQI-LJQANCHMSA-N 433.552 5.347 30 20 IKED C=CCn1c(Sc2nc(CN(C)C)nc3scc(-c4ccccc4)c23)nnc1C1CC1 216463623 FXLBKHSCUQPQTM-UHFFFAOYSA-N 448.621 5.226 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H](C)SCC(=O)Nc2ccc(C)cc2)c1 303215276 SLKGHACCXDBAEP-LJQANCHMSA-N 448.613 5.331 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 303330629 WLRUOLQJOOXMRL-MRXNPFEDSA-N 433.489 5.891 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(Br)cc2F)c1 303555854 KIRCBVUIKGEPAO-UHFFFAOYSA-N 425.257 5.291 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 303627644 FANYKNGYMGYIME-FQEVSTJZSA-N 431.536 5.247 30 20 IKED COc1cc(Br)ccc1CNC(=O)Nc1ccccc1SC[C@@H](C)C#N 429424866 KHQZKTMXGUSZQF-ZDUSSCGKSA-N 434.359 5.031 30 20 IKED CCC(CC)N(C(=O)CCCOc1ccc(C#N)cc1OC)[C@H]1CCCc2cccnc21 430160210 FQTFCKPQANCWTO-QFIPXVFZSA-N 435.568 5.216 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 432679181 HDLUQAYVFWJOAK-ILBGXUMGSA-N 442.950 6.552 30 20 IKED Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1sc2ccc(C#N)cc2c1C 432803136 FXHPNYLTJVJZKQ-MRXNPFEDSA-N 431.561 5.657 30 20 IKED Cc1ccc([C@H]2CCCCN2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 437822438 OIFKAGPNJQFEOK-HXUWFJFHSA-N 449.605 5.770 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(CC(F)(F)F)c2)cc1 438552210 KHJWZKNLSREIBO-UHFFFAOYSA-N 441.428 6.036 30 20 IKED FC(F)c1ccc(-c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)no2)cc1 445808384 AXBOJLFUVUTPDW-UHFFFAOYSA-N 439.262 5.696 30 20 IKED Cc1cc(Br)cc(Cl)c1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 445819679 RHBYAIGSHDXTOZ-UHFFFAOYSA-N 448.748 5.077 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2c[nH]nc2-c2nccs2)cc1Cl 446138849 PRBHOWFICPUQAO-MRXNPFEDSA-N 434.912 5.486 30 20 IKED N#Cc1ccccc1Oc1ccc(N2C(=O)N[C@@H](c3ccc4ccccc4c3)C2=O)cc1F 446159030 VNLZDAHHIWWLTP-DEOSSOPVSA-N 437.430 5.440 30 20 IKED COc1cc(C[S@](=O)Cc2ccc(C3CCC3)cc2)ccc1OCc1cccc(C#N)c1 447116187 KOMHFFLJTKEEHJ-JGCGQSQUSA-N 445.584 5.862 30 20 IKED CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)C1 460342378 GWFCJUWVOGYKOB-HXUWFJFHSA-N 437.971 5.030 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)cc1 463221005 RUNIJWXMLPKLRV-UIOOFZCWSA-N 443.522 5.329 30 20 IKED O=C(C[C@@H](c1ccccc1)C(F)(F)F)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 464728078 MRQHJNAEYFVXMM-HNNXBMFYSA-N 445.338 5.705 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3S(=O)(=O)CC)cc2)cc1 465270698 RKEBTFGQJZRYKW-UHFFFAOYSA-N 437.517 5.090 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccccc1COCc1ccccc1 465528281 OPRBAEDMSZHGQS-SXOMAYOGSA-N 439.559 5.385 30 20 IKED N#CCCCOc1cccnc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 466596424 LNQYZLBFNCNEFN-UHFFFAOYSA-N 443.482 5.009 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@@H]3CCC[C@@H]3Cc3ccccc3[N+](=O)[O-])ccc21 469362394 YQKYOTCTEFORQH-XMSQKQJNSA-N 432.524 5.001 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@H](CO)c1cccc(Br)c1 475556720 RYEIZRXMPDXCKI-HXUWFJFHSA-N 431.374 5.498 30 20 IKED C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)C[C@H](CC#N)c1ccccc1 475644521 LSIBXLRISOYWSC-IVZHQMGZSA-N 429.383 5.436 30 20 IKED Cn1cc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c(-c2ccc(Cl)s2)n1 475816562 ULIDXEWUVULGGR-ZDUSSCGKSA-N 425.728 5.103 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Br)ccc1N1CCCC1 479314877 KNDHURNWRHJIGI-UHFFFAOYSA-N 441.373 5.365 30 20 IKED C=C(C)[C@H](NC(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 480358046 YGZNRVMOUCZMNJ-QQMNAOGKSA-N 429.511 5.013 30 20 IKED Cc1ccccc1-n1nc(C)c2cc(C(=O)Nc3nc(C)c(SCC#N)s3)sc21 481285049 KYURYGIYLAYYQV-UHFFFAOYSA-N 439.591 5.337 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)nnc1-c1cccc(Cl)c1 481372476 LRQMABONABICLE-HNNXBMFYSA-N 444.963 5.063 30 20 IKED CCOc1ccc(N(C(=O)CSc2ccc(C#N)cc2)c2nc3ccccc3s2)cc1 482162302 GFUGHRQTTBPHEG-UHFFFAOYSA-N 445.569 6.024 30 20 IKED N#CC[C@@H](CC(=O)N(CC(F)(F)F)c1ccc(Br)cc1)c1ccccc1 483607565 QPXCATHJODFNAJ-HNNXBMFYSA-N 425.248 5.432 30 20 IKED Cc1ccc(F)c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1Br 484688913 RAPYODGYEMNWHP-UHFFFAOYSA-N 439.284 5.600 30 20 IKED O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CCCOCC1 486159773 QVYAAYDOHNRMDJ-NOZJJQNGSA-N 437.302 5.261 30 20 IKED COc1cccc(C[C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 497761300 KBKYNMYKFKCGAG-QGZVFWFLSA-N 433.483 5.038 30 20 IKED CC[C@@H](OC1CCCC1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 497783438 DRBCRJMBHAPNOS-GOSISDBHSA-N 437.487 5.301 30 20 IKED N#C[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1ccc(Br)cc1 499393909 SBEYDCRDVVOCAM-QGZVFWFLSA-N 446.757 5.150 30 20 IKED Cc1onc(CC(=O)N2C[C@@H](c3ccccc3Cl)c3c([nH]c4ccccc34)[C@H]2C)c1C#N 499564564 SNCOOFOJCKNGLH-KUHUBIRLSA-N 444.922 5.267 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OCc4cccnc4)c3)n2)cc1 503503436 ITYIYQRHJNOXHV-QFIPXVFZSA-N 425.513 5.583 30 20 IKED CC(C)n1ncc2c(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc(-c3ccco3)nc21 503895615 WVBIICVEFOEOLU-UHFFFAOYSA-N 437.503 5.073 30 20 IKED Cc1noc(C)c1COc1cccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1 505330855 MTACXKUYAWCYKD-LJQANCHMSA-N 430.291 5.172 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 505331657 RVRACMKJTYEHAG-GOSISDBHSA-N 447.753 5.503 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 505834344 SMUFLSFQRMOKAB-KRWDZBQOSA-N 444.343 5.610 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 509614408 BUPNPNCHXFIKEZ-UHFFFAOYSA-N 441.409 5.804 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2coc(-c3cccs3)n2)cc1Cl 510024788 XLDMEZLXAVNQJE-LJQANCHMSA-N 448.935 6.034 30 20 IKED CN(CCCOc1ccc(F)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511395105 BLKZSWWNBMGDQL-UHFFFAOYSA-N 447.510 5.404 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 512512490 WDZUNBZZJHQJKC-OAHLLOKOSA-N 442.913 5.542 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)nc2ccccc21 513665328 DKISUPYWBPCQLV-KRWDZBQOSA-N 449.436 5.145 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1ccccc1-c1ccccc1C#N 514577261 VFQUYSYOSUXPOR-UHFFFAOYSA-N 431.495 6.038 30 20 IKED CC(C)(C)C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 517462622 LPLFRIFYDULGLO-HNNXBMFYSA-N 441.519 5.077 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)cc1 518373019 ILPRMESWGDXMMB-QZTJIDSGSA-N 426.360 5.272 30 20 IKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c12 518660493 ZKBRDFMARYUXNT-INIZCTEOSA-N 441.560 5.448 30 20 IKED C[C@@H](c1c(F)cccc1F)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 518695651 DVRZCGMPHAEHIG-HNNXBMFYSA-N 434.446 5.314 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(NC(=O)c4cccs4)cc3)o2)cc1 524377632 KZPSQYRZTRLOTE-UHFFFAOYSA-N 443.484 5.296 30 20 IKED CN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(Br)cc1Cl 524381693 PJVYOTUDWNTJKL-UHFFFAOYSA-N 445.700 5.423 30 20 IKED CC[C@H](C)[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(Cl)cc1 525090847 KZUQPFAHVUKNAK-MHECFPHRSA-N 425.960 5.270 30 20 IKED Cc1ccccc1[C@@H]1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CCO1 525604350 LKGNYLFPIVFZOM-DEOSSOPVSA-N 428.557 5.373 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3ccc(Oc4ccccc4Cl)nc3)CC2)cc1 526938986 DBBSWMYUZMFXAI-UHFFFAOYSA-N 433.895 5.083 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C3(c4ccc(F)cc4F)CCOCC3)cc2)c1 534079891 SAKVCUJPZCAQMK-UHFFFAOYSA-N 434.442 5.316 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCCn3c(=O)oc4ccccc43)cc2Cl)cc1 534521270 BXTQLXJRYPUXQD-UHFFFAOYSA-N 447.878 5.331 30 20 IKED CN(C(=O)c1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1)c1ccccc1 534597985 FQYLEBRXADPLQL-UHFFFAOYSA-N 437.524 5.816 30 20 IKED COC[C@@](C)(C#N)NC(=O)c1sc2ccccc2c1CSc1ccccc1Cl 535319183 WKSJMFBDJFPHCQ-OAQYLSRUSA-N 430.982 5.505 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(-c4ccncc4)nc4ccccc34)n2)cc1 535406651 DCFJXRODMQBJCK-QFIPXVFZSA-N 446.535 6.219 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N[C@H]2CCOC3(CCSCC3)C2)cc1Cl 535601898 HUYRHXJPFGNCNR-SFHVURJKSA-N 442.968 5.179 30 20 IKED CCOc1cccc([C@@H]2C[C@@H]2NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 539454974 MMAOKAJUOOPNPF-AHWVRZQESA-N 441.531 5.408 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 540854810 MBACVOUVPFIHNG-CQSZACIVSA-N 442.441 5.468 30 20 IKED CC(=O)c1ccc(Oc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cc2)cc1 543985655 DHNYERBZHIOYQO-QFIPXVFZSA-N 439.496 5.690 30 20 IKED CCOc1cc(Cc2noc(-c3ccc(C4(C#N)CC4)cc3)n2)ccc1OCC(F)(F)F 544436272 JORJDIACPVDZPS-UHFFFAOYSA-N 443.425 5.222 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 548943792 YBJIJKDABIYKOG-LJQANCHMSA-N 435.490 5.087 30 20 IKED C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(C(=O)OC(C)(C)C)CC1 549265463 BFOROMRWTHBNFR-UHFFFAOYSA-N 442.629 5.013 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 553077595 SJIHYOUDYWBYDC-UHFFFAOYSA-N 436.895 5.308 30 20 IKED N#CC(CCN1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1)(c1ccccc1)c1ccccc1 554273482 GXZOPPMRKHHNAS-DNQXCXABSA-N 442.563 5.348 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(Nc2cccc(C)c2)CC1 558982499 QKFKLAAMNQDCDF-UHFFFAOYSA-N 438.579 5.459 30 20 IKED C[C@@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccc3ccccc3c2)n1Cc1ccccc1 567253969 VXVZHDCWXRDLQA-VQTJNVASSA-N 425.536 5.215 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(C#N)c(Br)c1 589014554 PBINWOIMBCGNOC-UHFFFAOYSA-N 434.652 5.329 30 20 IKED CC(=O)c1cccc(OCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 590236718 BWLLBLGPIUMGFC-UHFFFAOYSA-N 434.879 5.011 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 590537335 GKXPCKBYXFVZCC-PTUXOGIPSA-N 438.955 5.550 30 20 IKED C[S@](=O)Cc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 603838761 JSZIKGOKIDPBPK-OLRZCDJHSA-N 449.384 5.485 30 20 IKED CC(C)n1ncc2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)cnc21 604027329 VZXLFLMCZAHKJA-UHFFFAOYSA-N 431.883 5.582 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OC4CCCCC4)c3)n2)cc1 606753064 GBSYNAVUTVNTKM-QFIPXVFZSA-N 427.529 5.883 30 20 IKED COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 609047054 RCOMNODACBJGCK-VWLOTQADSA-N 441.531 5.709 30 20 IKED CC(C)N(C)Cc1cccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 609526361 RKDPIQMXSXGSSQ-UHFFFAOYSA-N 443.616 5.621 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@@H](c4cc5ccccc5[nH]4)C3)c2)c1 609660211 VOAKIRJQSPHGFN-XMMPIXPASA-N 435.527 5.638 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NCc3nc(-c4cccc(Cl)c4)no3)cc2)cc1 609663891 MCJSIBXRTAIWGH-UHFFFAOYSA-N 444.878 5.178 30 20 IKED CN(Cc1ccccc1NC(=O)CCc1ccc(C#N)cc1)C(=O)c1cc2ccccc2o1 609908231 HIWPGVNJNHRABX-UHFFFAOYSA-N 437.499 5.148 30 20 IKED C[C@@H](NC(=O)N(C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)c1cccc(C#N)c1 610407469 XECHJEUHBKZCMZ-GOSISDBHSA-N 433.531 5.203 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN3Cc3ccccn3)cc2Cl)cc1 610423637 ISDPJISFPYATDZ-QFIPXVFZSA-N 432.911 5.002 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn4c(-c5ccccc5)ccnc34)n2)cc1 613319153 RMHSSKUEQBYPNC-IBGZPJMESA-N 435.512 5.318 30 20 IKED N#CCn1c(C(=O)N2CCSC[C@H]2c2cccc(C(F)(F)F)c2)cc2ccccc21 613682436 NMOFARCLFQMTMJ-FQEVSTJZSA-N 429.467 5.114 30 20 IKED Cc1nc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)sc1SCC#N 614008200 HFSMINDQJYFLOR-UHFFFAOYSA-N 427.938 5.204 30 20 IKED N#C[C@H](C(=O)c1ccc(Br)c(F)c1)c1nc2cc(C(F)(F)F)ccc2s1 620847339 YRHMNNZDWZVUJV-SNVBAGLBSA-N 443.219 5.707 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)nnc1-c1ccccc1F 643092482 SWGVYPWVHNQTNW-AWEZNQCLSA-N 439.491 5.621 30 20 IKED FC(F)(F)c1cnc2c(c1)[C@@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)CCC2 681740442 VRJPGZGFTSAUON-MAWWSGROSA-N 434.346 5.977 30 20 IKED COc1ccc(/C=C/C(=O)c2sc(-c3ccc(C)cc3)nc2C)cc1OCCCC#N 727654033 FXOVFPBOYPPPBJ-XYOKQWHBSA-N 432.545 6.014 30 20 IKED N#C[C@@H](C(=O)Cc1coc(-c2cccs2)n1)c1nc(-c2ccc(Cl)cc2)cs1 730072694 ZPDAXECHBSJWPK-HNNXBMFYSA-N 425.922 5.599 30 20 IKED CC(=O)Nc1ccc(/C=C/C(=O)c2sc(-c3ccccc3Br)nc2C)cc1 730148532 HXAKORVKBRNOOP-FMIVXFBMSA-N 441.350 5.736 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 731117536 VQMKVQUQVZRKOR-ZWKOTPCHSA-N 446.617 5.097 30 20 IKED COc1cc(C(C)=NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)ccc1SC 733080239 TUMRWMLDGCGDLI-UHFFFAOYSA-N 433.459 5.124 30 20 IKED Oc1nc(/C(Cl)=C\c2cc(C(F)(F)F)ccc2F)nc2cc(C(F)(F)F)ccc12 733206932 SQEOSVVOHWHIDB-WUXMJOGZSA-N 436.714 6.249 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)ccc1OC 733278799 XXXODHQGWIIAGO-AWEZNQCLSA-N 432.307 5.094 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)c1 733843584 QYBBKNRIDMYBAI-OAHLLOKOSA-N 441.837 5.284 30 20 IKED Cc1ccc(S(=O)(=O)O[C@H](Cc2ccc(Cl)cc2)C(F)(F)F)c2cccnc12 734153399 DIZANEFBDUWEJK-QGZVFWFLSA-N 429.847 5.076 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCCCC[C@H]2c2ccco2)cc1 737316975 WPRRWKUBYHLRDL-PKTZIBPZSA-N 427.504 5.017 30 20 IKED O=C(/C=C\c1ncc(-c2cccc(Br)c2)[nH]1)c1c(Cl)nc2ccccn12 737446594 XAPGMBGIYKHGJU-FPLPWBNLSA-N 427.689 5.036 30 20 IKED CSc1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 741111546 RFACYRFTZMRQEK-XHDPSFHLSA-N 436.480 5.681 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)c1ccccc1OCC#N 741204174 KNOOCBHQLOQIGB-UHFFFAOYSA-N 442.494 5.886 30 20 IKED N#Cc1ccc(COC(=O)C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)c(F)c1 745342511 HWKXHKRCUCUDBM-UHFFFAOYSA-N 445.490 5.068 30 20 IKED N#Cc1ccc(NC(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)cc1 749308829 FGYCLZHPENTPDV-UHFFFAOYSA-N 429.277 5.183 30 20 IKED CN1C(=O)CCc2cc(C(=O)/C=C/c3csc(-c4ccc(C(F)(F)F)cc4)n3)ccc21 754689915 NKZQSSBQQIGONY-CSKARUKUSA-N 442.462 5.634 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)cc1C 757383546 PHVFEEJIKOWCGD-UHFFFAOYSA-N 437.887 5.203 30 20 IKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C2CC(F)(F)C2)c1 757897174 FLZRFIRTUDHJRA-IBGZPJMESA-N 443.519 5.061 30 20 IKED CCN1C/C(=C/c2cnc(C3CCC3)s2)C(=O)/C(=C\c2cnc(C3CCC3)s2)C1 760264023 JIOMYFZLLXMXJL-XFQWXJFMSA-N 425.623 5.506 30 20 IKED COc1ccc(OCc2nc(/C=C/C(=O)c3cc(Br)ccc3F)cs2)cc1 763120555 ACFMFALCVLEWNN-YCRREMRBSA-N 448.313 5.528 30 20 IKED COc1ccc(C(=O)/C=C\c2cn(Cc3ccccc3)nc2C(C)(C)C)cc1NC(C)=O 763291212 XOYTUDKXRYCVIQ-QBFSEMIESA-N 431.536 5.092 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNCc2cnc3ccccc3c2)cs1 764779261 QCSSURAUNRAWCG-UHFFFAOYSA-N 435.940 5.153 30 20 IKED C#CCN(C(=O)NCc1ccc(C(F)F)cc1)[C@H]1CCOc2ccc(Br)cc21 765321846 FTPLXQIDLYHPHR-SFHVURJKSA-N 449.295 5.055 30 20 IKED Cc1cc(CSc2ccccc2C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)on1 768172869 ADQABJXYYJTVLE-SFHVURJKSA-N 432.332 5.577 30 20 IKED COc1ccc(-c2nc(S[C@H](C)c3cccc(Br)c3)nc(O)c2C#N)cc1 768289225 SVQBEFYJEFZVQL-GFCCVEGCSA-N 442.338 5.345 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)C(=O)Nc3cc(C(F)F)ccc3Cl)c2)s1 768723880 CUZSJDUYZPTLFX-UHFFFAOYSA-N 445.878 5.133 30 20 IKED CC(C)Oc1ncc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1Cl 770099895 LVHQOQNQWQPGEH-GOSISDBHSA-N 449.894 5.276 30 20 IKED N#C[C@H](C(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1)c1ccccn1 772550478 IOUUKSJPCUDAHH-HNNXBMFYSA-N 428.673 5.175 30 20 IKED O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(C(=O)C(F)(F)F)CC1 773064911 ZREIWYGTJNYMRF-OWOJBTEDSA-N 447.297 5.107 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)C1=Cc2ccccc2OCC1 775276562 KZKVVFQZBDGUJD-UHFFFAOYSA-N 432.501 5.224 30 20 IKED C[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(OCC#N)cc1 776154610 VHJTXNLWSBKYNW-LJQANCHMSA-N 426.495 5.432 30 20 IKED C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(Oc2ccccc2)c(F)c1 777119185 ZARKBXMCXDLSMF-SFHVURJKSA-N 431.511 5.624 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)c2ccc(C#N)c(Cl)c2)cs1 778542733 KTIUXHQXHCUDER-UHFFFAOYSA-N 439.924 5.327 30 20 IKED CCOc1cc(CNc2ccccc2O[C@H](C)C#N)cc(Br)c1OC(F)F 779994592 RTQQROHWYFZJMY-GFCCVEGCSA-N 441.272 5.352 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 780673689 ZCKBNSOYRFOESS-BUXKBTBVSA-N 437.849 5.922 30 20 IKED COc1ccc(C[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1OC 781452759 MKPJDGWRZCNMNZ-DZGCQCFKSA-N 442.487 5.161 30 20 IKED CC(C)(C)OC(=O)NCCCCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 781943599 LZVOVNVLNWXCSN-HXUWFJFHSA-N 441.959 5.629 30 20 IKED CC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ncc(-c2ccccc2)[nH]1 782553545 QIBAQKSLBUIQDY-RPWUZVMVSA-N 435.531 6.005 30 20 IKED Cc1cc(C(=O)CCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(C)s1 783352625 BDBDHEXCROVSCN-FQEVSTJZSA-N 446.528 5.468 30 20 IKED C=CCn1c(C2CC2)nn(CN2CCC[C@H]2c2ccc(Br)s2)c1=S 784031010 OAMIGSWROFLEQO-ZDUSSCGKSA-N 425.421 5.096 30 20 IKED N#C[C@H](COC(=O)c1coc(-c2ccccc2Cl)n1)Cc1ccccc1Br 786641330 JVHJZASRYWMKRK-CYBMUJFWSA-N 445.700 5.297 30 20 IKED CC(C)(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 787107907 UHDIHUUHCSKTLB-UHFFFAOYSA-N 434.192 5.315 30 20 IKED COc1ccc(C(=O)C[C@@H](C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 796809448 AJBVGLHVWYMSSH-WBMJQRKESA-N 446.450 5.409 30 20 IKED CC(C)c1ccc(-n2cnnc2SCC(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cc1 797569135 AVUXTMIPSZZRDC-QGZVFWFLSA-N 439.610 5.113 30 20 IKED C=CC[C@@H](NC(=O)NCc1ccc(Oc2cc(OC)cc(OC)c2)cc1)c1ccncc1 806819238 NSOBIKNKAPWEFJ-XMMPIXPASA-N 433.508 5.008 30 20 IKED CCc1ccc([C@@H](C#N)NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1 809258980 LIJATAPEQMUGSW-LJQANCHMSA-N 427.335 5.104 30 20 IKED C[C@H](OC(=O)C1(Cc2ccc(F)cc2Br)CCOCC1)c1cccc(C#N)c1 814595487 IKXIOUWDCJXEFY-HNNXBMFYSA-N 446.316 5.104 30 20 IKED COc1cccc2c1[C@H](C(=O)[C@H](C#N)c1nc(-c3ccc(Cl)cc3Cl)cs1)CC2 815911606 HLWZDXJUAQQBFB-CVEARBPZSA-N 443.355 6.032 30 20 IKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](C)c1ccccn1 837301695 NSWCNXHQRJAPMA-AVRDEDQJSA-N 444.560 5.112 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1OC 915055789 SYDZGWIXQDKEJA-WQLSENKSSA-N 441.487 5.279 30 20 IKED COc1ccc(CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1Br 915085237 JBIHNWPDOHCUOG-OAQYLSRUSA-N 449.348 5.684 30 20 IKED COc1ccc(CC(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1OC 915102843 ITDKZGPWCXYIDG-MOSQOHCXSA-N 436.577 5.047 30 20 IKED N#CCCn1cc(/C=C\C(=O)c2ccc(N3CCCCC3)c(F)c2)c(-c2ccccc2)n1 916129061 SEGJHIPTZUGMLW-QBFSEMIESA-N 428.511 5.489 30 20 IKED Cc1cc(Cl)ccc1O[C@H](C)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916883018 FFYDCHNWJRTHMG-WBMJQRKESA-N 438.883 5.078 30 20 IKED Cc1cccc(-c2nc(CC(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cs2)c1 916919603 YEOXPEKLHJJQJE-NRFANRHFSA-N 425.513 5.162 30 20 IKED CCOC(=O)Nc1ccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 918630154 OTXABVDJADAIKF-UHFFFAOYSA-N 431.467 5.108 30 20 IKED C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920141984 OHBBBNGSWXLVDD-KKSFZXQISA-N 429.545 5.623 30 20 IKED COc1cc(C=NN[C@@H](C)c2ccccc2)ccc1OCC(=O)Nc1ccccc1Cl 920385932 LGQXQYXTICPODN-KRWDZBQOSA-N 437.927 5.051 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4c(C(C)C)nn5ccccc45)CCC3)cc2)C1 1785806672 LYQHJMUUJXGVAS-UHFFFAOYSA-N 442.563 5.172 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cnc4cccc(Cl)c4c3)CCC2)cc1 1785937012 UZTVSSJACWJHCW-UHFFFAOYSA-N 446.938 5.186 30 20 IKED CC1=CC[C@H](C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(F)c(C#N)c4)CCC3)cc2)CC1 1789115220 RHWCNTIUEPBRQU-FQEVSTJZSA-N 445.538 5.120 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)C4(F)CCCCC4)cc3)CCC2)cc1 1789162052 ZLTKBXDVLFXKKA-UHFFFAOYSA-N 433.527 5.173 30 20 IKED N#CCCC(=O)NC1(c2ccc(NC(=O)CCc3cc(Cl)ccc3Cl)cc2)CCC1 1791149272 QTHSLBIYRTXENA-UHFFFAOYSA-N 444.362 5.364 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](c3ccccc3)C(C)C)C2)CC1 1805624363 HLHXLDRSLQDLFJ-JWQCQUIFSA-N 436.640 5.426 30 20 IKED N#Cc1cccc(C(=O)N2CCC3(CCCN(C(=O)CCC4CCCC4)C3)CC2)c1Cl 1808951372 FEVUUDTWRGHBNN-UHFFFAOYSA-N 442.003 5.027 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2)[nH]n1 1814826626 ATSQKUWPPQCVEV-NRFANRHFSA-N 440.975 5.066 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](CCC)n2cccc2)[nH]n1 1814829766 STHGTVDRCGFQJM-FGZHOGPDSA-N 437.588 5.013 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ncccc23)[nH]n1 1819554688 MYKXJNIUGJDLBL-QFIPXVFZSA-N 445.567 5.256 30 20 IKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccsc2)CC1)c1ccccc1 1829030811 TWRCYTRELJXEIX-LOSJGSFVSA-N 448.632 5.179 30 20 IKED N#CCC[C@@H](C#N)CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1 15233938 LQKZOPPISBXAJQ-ZDUSSCGKSA-N 429.336 5.172 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1sc2c(c1C#N)CCCC2 57650072 OJLRCGVEPLRZMD-UHFFFAOYSA-N 443.981 5.748 30 20 IKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1-c1cccc(Cl)c1 59794893 MSCHTYKKZLQLHY-UHFFFAOYSA-N 444.347 5.780 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)cc1 72012397 FMUBPCPJBXRHIH-UHFFFAOYSA-N 440.568 5.753 30 20 IKED N#Cc1cc(N[C@@H]2CCc3c(O)cccc32)cc(N[C@@H]2CCc3c(O)cccc32)c1[N+](=O)[O-] 302006066 VNZQETCYEZDATQ-NHCUHLMSSA-N 442.475 5.076 30 20 IKED N#Cc1cc([N+](=O)[O-])ccc1Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 302921986 REMXUZNOCGHSLE-UHFFFAOYSA-N 431.452 5.064 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1ncnc2sc3c(c12)CCC3 303248786 BJGVTNLTRSTKNO-ZDUSSCGKSA-N 440.619 5.163 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3ccc(-c4ccco4)cc3F)c2)cc1 427230893 IEKDXJBOSSYEDV-UHFFFAOYSA-N 441.418 5.327 30 20 IKED CC(C)(c1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1)C(F)(F)F 429674018 TWPSUNFTFMMMCY-UHFFFAOYSA-N 431.458 5.473 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)c2cccc(SCC#N)c2)c1C 430601712 JQHCRWXNGQQBEU-UHFFFAOYSA-N 431.348 5.664 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)s1 430632391 XHZWJCYHBPQDPE-CYBMUJFWSA-N 443.981 5.898 30 20 IKED C=CCC[C@@H](NC(=O)N1CCCC[C@@H]1c1nccn1CC)c1ccc(C(F)(F)F)cc1 430886434 AIXADNJFXJQUNE-WOJBJXKFSA-N 434.506 5.866 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1ccccc1 432639030 RWXREBWDAXLLLD-FQEVSTJZSA-N 426.492 5.569 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2n1-c1ccccc1 436327776 SZNHOQWGJOCTQE-NOZRDPDXSA-N 434.543 5.256 30 20 IKED N#CC1CCC(CNC(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)CC1 441664582 BKYMSDNYQUGQAI-IMQCZEGASA-N 430.552 5.115 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4csc(C)n4)cc3)n2)cc1 442518463 ZVLVXMXNOPWWBF-IBGZPJMESA-N 431.542 5.741 30 20 IKED Cc1cccc(CN(Cc2ccccn2)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 443911366 XGRVJIJEQVENFU-FQEVSTJZSA-N 430.577 5.876 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(Cc1ccco1)Cc1ccco1 460814717 NCMJBQILXKXJOU-ZEQRLZLVSA-N 444.535 5.492 30 20 IKED C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC2(CCOCC2)[C@H]1C 460955668 CLYHTXMHSVNNEE-QGZVFWFLSA-N 433.021 5.195 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc(Cl)c1OCC(C)C 464478534 URHZTSALIRXYRK-CQSZACIVSA-N 426.822 5.287 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1 464808281 KOTWHWNQAMXKSM-DRKIFQHWSA-N 432.545 5.230 30 20 IKED CC[C@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nc(C(F)(F)F)cs1 465195871 SAKMAXDVHLJGGU-SFHVURJKSA-N 445.466 5.494 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 468165234 SGYUUMONVOGKEL-NRFANRHFSA-N 448.567 5.818 30 20 IKED N#CCCCn1cc(C(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)c2ccccc21 469775793 NWBZYCAZKVVJGX-JOCHJYFZSA-N 441.453 5.178 30 20 IKED C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 469916371 INQGBUUTWOXTTD-VXNVDRBHSA-N 430.299 5.022 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)cc1C 470560526 LIDWMRFJMWJGOU-AWEZNQCLSA-N 447.486 5.047 30 20 IKED C=C(C)[C@@H](NC(=O)N[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1)c1ccc(F)c(F)c1 477168556 IOCPIUSWGFYRSE-ORAYPTAESA-N 430.430 5.140 30 20 IKED C[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)c1nc(-c2ccc(Br)cc2)cs1 478496592 YFIUGYQPNYINBH-SNVBAGLBSA-N 448.292 5.213 30 20 IKED O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 482334156 KLTVQKWSINFWDU-SNVBAGLBSA-N 442.709 5.470 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N(CCC(F)(F)F)Cc2ccccc2)o1 482366127 BLRZHAKXQWWUMK-UHFFFAOYSA-N 428.410 5.325 30 20 IKED C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 482442706 XKOQSXIYQGDGLQ-IRUJWGPZSA-N 434.327 5.264 30 20 IKED N#Cc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccc3ccccc3c2)c(Cl)c1 490464579 PBZQXMLSSMGTAA-XMMPIXPASA-N 439.902 5.209 30 20 IKED N#C[C@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1cccc(Br)c1 496289186 GDJLWCOUMHVCPJ-KRWDZBQOSA-N 444.716 5.071 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3ccc(NCCc4ccccc4)cc3)CC2)c(F)c1 497037404 ZQZOPTJSDGWQJQ-UHFFFAOYSA-N 442.538 5.207 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1CN1CCCCCC1 497776860 UPDKJPZMBGFUKF-HXUWFJFHSA-N 436.625 5.636 30 20 IKED C=CCN(C(=O)CCc1ccccc1OCC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 498719067 VRECCMRTEJYMFO-UHFFFAOYSA-N 437.521 5.269 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)cc1 505113093 HNDCJTLGSRDRTD-XMMPIXPASA-N 432.907 5.004 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(n4cc(Cl)cn4)CC3)c2)cc1 506360830 BAERNTPDRFCEAR-UHFFFAOYSA-N 449.942 5.051 30 20 IKED COc1ccc(CN(CC2CC2)C(=O)c2cn(CCCC#N)c3ccccc23)c(OC)c1 506614665 NTDCIPZFINXSHE-UHFFFAOYSA-N 431.536 5.015 30 20 IKED O=C(NCc1ccccc1OCC(F)(F)F)N[C@H](CC(F)(F)F)c1ccc(F)cc1 508829931 TXFZXZYNKXYMJS-OAHLLOKOSA-N 438.343 5.260 30 20 IKED C=CCn1c(SCc2csc(CCCC)n2)nnc1[C@H]1COc2ccccc2O1 510312736 KSQHYQQDRKZJMS-GOSISDBHSA-N 428.583 5.068 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCSc3ccccc32)cc1 511394706 AEQMLMZJUUEXCB-HSZRJFAPSA-N 429.545 5.690 30 20 IKED N#Cc1ccc(Cl)c(C(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)c1 511630247 SEVUSDGBFVJWCA-UHFFFAOYSA-N 448.885 5.588 30 20 IKED N#C[C@H](C(=O)c1cccc(COc2cccc(F)c2)c1)c1nc2ccccc2n1C(F)F 512973790 BPJUTXPWIHEDJD-LJQANCHMSA-N 435.405 5.640 30 20 IKED N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1ccc(C(F)(F)F)cn1 513156247 RVRQVLAQQJBDBS-QGZVFWFLSA-N 443.406 5.650 30 20 IKED CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(CC#N)cc1)N(C)C 516757012 ZKFLQJCCTFVBAP-JOCHJYFZSA-N 447.410 5.680 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(C)c2ncccc12 518423883 ASNFBWOTIBBIMK-UHFFFAOYSA-N 445.519 5.258 30 20 IKED C=C1CCN(C(=O)c2nn(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3c2CCC3)CC1 520823878 JKWIAAXLVOLFFP-UHFFFAOYSA-N 443.391 5.191 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@H](N3CCCC3)C2)cc1Cl 521700191 VMUPLAZBQQBBPF-JTHBVZDNSA-N 436.987 5.478 30 20 IKED CC1CCN(C[C@H]2CCCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)C2)CC1 523310086 AVMKOFFICDOFHO-XMMPIXPASA-N 447.648 5.435 30 20 IKED C[C@H]1CN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H](c2ccc(F)cc2)O1 525088648 GAFFLGDPCOZXDZ-APPDUMDISA-N 435.339 5.466 30 20 IKED C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H](c2ccc(F)cc2)O1 525088655 GAFFLGDPCOZXDZ-PIGZYNQJSA-N 435.339 5.466 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1ccccc1)c1ccc(F)cc1 532701942 DIKUEHGEMBDPAI-BVZFJXPGSA-N 433.552 5.538 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C2(c3ccc(F)cc3F)CCOCC2)cc1 534114529 NEMABAHFOJKZDA-UHFFFAOYSA-N 434.442 5.316 30 20 IKED C=C[C@@H](CC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F)c1ccccc1 534737647 YFQUHBFXKAQLNV-KRWDZBQOSA-N 438.449 6.256 30 20 IKED O=C1CCCN1C[C@@H](NCc1ccc(F)c(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 535192712 WEPRBQYNEDECRY-GOSISDBHSA-N 448.382 5.317 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1ccccc1F)C1CCCC1 537123438 SLRXEDCVYZHJBQ-MZNJEOGPSA-N 425.573 5.680 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)nn1-c1ccccc1Cl 538484828 VHIOOAVRSWHNAC-ZDUSSCGKSA-N 425.826 5.069 30 20 IKED Cc1nc([C@H](NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c2ccc(Cl)cc2)no1 538894071 ZXGLETJIDGBAGI-JOCHJYFZSA-N 444.878 5.215 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)C2(c3ccccc3Cl)CCOCC2)cc1 540196964 GEBHLOUCUITVNX-UHFFFAOYSA-N 430.935 5.243 30 20 IKED COc1cc(CN2CCC(CCCn3ccnc3)CC2)ccc1OCc1cccc(C#N)c1 542133915 WKXWLXVUVRJCTI-UHFFFAOYSA-N 444.579 5.035 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC([C@@](C)(O)C(F)(F)F)CC1 545933050 LXSKQFAMYPGHAW-JOCHJYFZSA-N 447.457 5.216 30 20 IKED Cc1cc(CN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C2CCCC2)c2ccccc2n1 550504172 TWJAOTMOZUEFBC-UHFFFAOYSA-N 438.453 5.414 30 20 IKED N#Cc1ccc(C(=O)CNC(=O)c2oc3ccccc3c2CSc2cccs2)cc1 552668472 DORKTXGBOIEGRZ-UHFFFAOYSA-N 432.526 5.271 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1 554191105 DGJCISDRGVBLTK-UHFFFAOYSA-N 441.626 5.990 30 20 IKED CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2cc(C#N)ccc2Cl)cc1 556892320 KNZFKCUQVSMBEG-UHFFFAOYSA-N 440.908 5.050 30 20 IKED Cc1cc(Br)c(C(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1Cl 561014358 JDJSDGBZEQGALR-OAHLLOKOSA-N 442.538 5.168 30 20 IKED C=CCn1c(CSc2ccccc2OC)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 562022971 RDZCZVMQZMBOQB-INIZCTEOSA-N 443.642 5.290 30 20 IKED CC[C@H](c1cccc(OC)c1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 564734242 OVNYFWXIWSKCPT-AREMUKBSSA-N 443.547 5.955 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC 570185214 FJSWKXBMSQKODN-QHCPKHFHSA-N 443.503 5.737 30 20 IKED N#Cc1cccc(CCNC(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1 573251577 SQRBEROJOYEFIP-QGZVFWFLSA-N 429.364 5.112 30 20 IKED C[C@H](NC(=O)C(C)(C)c1csc(-c2c(F)cccc2Cl)n1)c1ccc(C#N)cc1 574558865 CVJXJVFMIHRHFG-ZDUSSCGKSA-N 427.932 5.629 30 20 IKED CCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)[C@@H]1CCOC(C)(C)C1 575956965 KUGCULLOIWCZSS-HXUWFJFHSA-N 441.959 5.602 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)cc1 580375846 VVIOXKIIYUISIB-NRFANRHFSA-N 444.560 5.727 30 20 IKED Cc1nc(CSc2ccc(C(=O)NCCSCc3ccccc3C#N)cc2)cs1 591589278 GFSVDHVGXJZWIO-UHFFFAOYSA-N 439.631 5.279 30 20 IKED N#Cc1c(NC(=O)CSc2ccc(C(F)(F)F)cn2)sc2c1-c1ccccc1CC2 603992525 YHPKALGCZCGZMR-UHFFFAOYSA-N 445.491 5.530 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(OCCc4ccccc4)CC3)cn2)c1 604475033 OFWVUSPYIIISJY-UHFFFAOYSA-N 442.519 5.001 30 20 IKED CCCCN(C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@H](C)c1ccccc1 604507448 WBPMTDHWPOXQDP-LJQANCHMSA-N 442.519 5.074 30 20 IKED C=CCn1c(S[C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)nnc1-c1ccncc1 607436756 WVURVVDWKKZHGA-CQSZACIVSA-N 438.944 5.007 30 20 IKED CCc1c(C)sc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)c1C#N 609032749 AWTDRHYTQSROTG-UHFFFAOYSA-N 429.549 5.736 30 20 IKED N#Cc1ccc(CNC(=O)C(=O)Nc2ccccc2-c2ccc(-c3ccccc3)cc2)c(F)c1 609342785 XDAAVDWJZJTUOQ-UHFFFAOYSA-N 449.485 5.286 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 609385245 IXBJLPDPUDIPEZ-HOTGVXAUSA-N 435.515 5.589 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl 609386982 BZJVIWXPPUEPMJ-CYBMUJFWSA-N 425.406 6.260 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)cc2)nc1 609501357 HYHUPUGYGGARCB-UHFFFAOYSA-N 448.507 5.697 30 20 IKED Cc1nc(-c2cnn(C)c2)sc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 609640495 VSLYKKDCFFMSEP-AWEZNQCLSA-N 439.610 5.189 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCCO[C@H](c3ccccc3)C2)c1 609723903 LMNJNOKAMJVJNX-DEOSSOPVSA-N 432.907 5.608 30 20 IKED CCN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H](C)c1cccc(O)c1 609844660 OWPGWPMGTYYWQS-LJQANCHMSA-N 429.520 5.652 30 20 IKED COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1ccccc1SCCC#N 610156912 FYKVLFGGQPZMAJ-KRWDZBQOSA-N 447.398 5.289 30 20 IKED CCCOc1ccc(Oc2ncccc2CNC(=O)N[C@H](C)c2cccc(C#N)c2)cc1 610357090 HBOHIVCNGHXBEJ-GOSISDBHSA-N 430.508 5.095 30 20 IKED CCN(CC)CCCC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 611815630 PRLWXHUENUPHME-UHFFFAOYSA-N 435.572 5.111 30 20 IKED Cn1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1-n1cccc1 613346111 DIYWWGMCRKSAQD-AWEZNQCLSA-N 442.331 5.131 30 20 IKED C=CCn1c(SCCOc2ccccc2OC)nnc1-c1ccc(Br)cc1 613940825 XNLCQFSTEXSPEF-UHFFFAOYSA-N 446.370 5.073 30 20 IKED CC(C)(C#N)c1ccc(CN[C@H](CC(F)(F)F)c2ccc(Br)cc2)cc1 614185787 IJENMFUAGCTUEU-GOSISDBHSA-N 425.292 6.034 30 20 IKED Cc1c(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)sc2cc(F)ccc12 672444062 HNQQUZNOIMAQBP-IAZYJMLFSA-N 427.385 5.988 30 20 IKED CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 674492483 CZCGZRNYYJYLLN-HZSPNIEDSA-N 435.330 5.788 30 20 IKED Cc1c(NC(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cccc1OCC(F)(F)F 674564266 AMQMESJQYUGLHC-NXEZZACHSA-N 438.290 5.141 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2cc(F)c(F)cc2Br)c1C(F)F 676439730 QDKUMFRVHYRGDN-UHFFFAOYSA-N 448.136 5.152 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1SCc1csc(-c2ccc(F)cc2)n1 684255483 YBKQYYJEXBGCLR-UHFFFAOYSA-N 443.617 5.047 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(F)c(F)c2)[n+]2ccc(C(C)(C)C)cc2)c1 726573059 YFINDHWYPLRZHV-UHFFFAOYSA-O 449.546 5.854 30 20 IKED N#CCOc1ccc(/C=C2/SC(=S)N(CCc3ccc(Cl)cc3Cl)C2=O)cc1 726627322 QAHKEYLVKYCLAQ-WOJGMQOQSA-N 449.384 5.340 30 20 IKED COc1ccccc1Nc1nc(Cl)c(C=NNc2ccc(Br)cn2)s1 727265149 JNKCOXSEXWHOIN-UHFFFAOYSA-N 438.738 5.152 30 20 IKED CC(C)(C)c1ccc(CCCC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 727629004 MRBZNACTIPRPSG-IBGZPJMESA-N 447.604 5.772 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3cccc(OC4CCCC4)c3)n2)cc1 727955451 FGUSQHPZIBZULF-QHCPKHFHSA-N 441.556 5.812 30 20 IKED Cc1ccc(C2CC(=Nn3c(S)nnc3COc3c(Cl)cccc3Cl)C2)cc1 729816772 SHVJTTYFOKVKLW-UHFFFAOYSA-N 433.364 5.543 30 20 IKED C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 730422132 UMQQTHNDFNWYDR-OXQOHEQNSA-N 430.504 5.670 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2(c3ccc(Cl)cc3)CCOCC2)cc1 730423201 NXVNRTMZDIDOBY-DEOSSOPVSA-N 445.950 5.823 30 20 IKED O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)Nc1ccc(C(F)(F)C(F)(F)F)cc1 730899536 FGLIHIZWYVYKLS-CQSZACIVSA-N 442.306 5.215 30 20 IKED C=CCOc1cccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)c1 730965980 MOILBPYXZGRNNH-UHFFFAOYSA-N 439.249 5.026 30 20 IKED CCCN(C(=O)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1)[C@@H](C)c1cc2ccccc2o1 733653770 MBOKQGWVQSLIRU-GHTZIAJQSA-N 449.551 5.805 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)c1 734656466 YNWFHPDZICWCDV-UGKGYDQZSA-N 429.520 5.829 30 20 IKED Cc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1NC(=O)NC(C)(C)C 740816610 JLDGVDAWZNXZDS-QHCPKHFHSA-N 440.547 5.823 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)[C@H]3C[C@H]3c3ccccc3OC(F)(F)F)c2)s1 741194502 YKZJRUCEOHGTSQ-OALUTQOASA-N 442.462 5.605 30 20 IKED O=C1/C(=C\c2nc(-c3ccccc3)cs2)COC/C1=C\c1nc(-c2ccccc2)cs1 741448387 XNDZNSJTSIPJKV-UHWBUFEVSA-N 442.565 6.000 30 20 IKED Cc1cc(Br)c(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)s1 742029063 XPEMNRLUYVYBRK-KRWDZBQOSA-N 447.379 5.275 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 743147118 PIYYOLZTWZIYAU-KBPBESRZSA-N 441.944 5.667 30 20 IKED CCCCOc1ccc(C=NO[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1OC 744443777 ONMAAJDELLNPAT-MRXNPFEDSA-N 427.476 5.483 30 20 IKED O=C(/C=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(N2CCOC2=O)cc1 748583890 KGEXPUBQSDXHDA-TYULJFPZSA-N 448.406 5.379 30 20 IKED CCOc1ccc(NC(=O)COc2ccc(/C=C\C(=O)c3ccsc3)cc2OC)cc1 749102311 PZVYNAKJEDKBIL-WMZJFQQLSA-N 437.517 5.069 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(CON=C(c2ccccc2)C(F)(F)F)cs1 751965197 JEZHJKKCKPMEEN-UHFFFAOYSA-N 447.482 5.928 30 20 IKED C[C@@]1(C#N)CCCN(C(=O)c2cc(Cl)nc(Oc3ccc(Br)cc3)c2)C1 753162766 QZOQWZBDCFTDLV-IBGZPJMESA-N 434.721 5.056 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)CCCc2cc(Cl)sc2Cl)ccc1OC 755314694 GKOIIXHSDAEYHK-OAHLLOKOSA-N 441.380 5.384 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)c2)s1 755391641 CDWIFRDHAPBILO-UHFFFAOYSA-N 431.395 5.144 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCCc1csc2ccccc12 756233660 NALADUTYYVGWQU-KRWDZBQOSA-N 440.952 5.542 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(CC2CC2)C(=O)N[C@H]1c1cnc(C2CCC2)s1 760340132 WQYSGJXNNRBNOF-FQEVSTJZSA-N 425.529 5.026 30 20 IKED N#CCOc1cccc(CC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCC3)c1 760448969 CBENUXXXUUOXJV-UHFFFAOYSA-N 445.569 5.597 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCCCC[C@@H]3C[C@H](O)c3ccco3)c2)c1 762985796 IMPPYAAXAWXYGC-NOZRDPDXSA-N 444.531 5.239 30 20 IKED CCCCCCC[S@](=O)Cc1csc(-c2cc(Br)ccc2OC)n1 764439468 VKZXLTZYXFPRHU-DEOSSOPVSA-N 430.433 5.800 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C(C)=C/c1c(Cl)cccc1Cl 766842569 ZHGUILWQHOUYJT-QIXNEVBVSA-N 429.347 5.869 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@H]2c2ccc(F)cc2F)cc1 770233128 WPBHKHWMLPFCCZ-ZCYQVOJMSA-N 431.486 6.379 30 20 IKED COc1ccc(CN(C)C(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1F 775994754 KOOXMAXYIDJJGW-INIZCTEOSA-N 438.343 5.298 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cc(OC(F)F)cc(OC(F)F)c1 776076960 LRZWMFLWORXVIF-QGZVFWFLSA-N 446.356 5.004 30 20 IKED CCC(CC)n1nc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1C 776516803 NUHQMNFIKUKMTA-FQEVSTJZSA-N 430.508 5.306 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3ccc(-c4ccccc4C(F)(F)F)o3)o2)c1 789195069 JKLRQNAWSGNXNW-UHFFFAOYSA-N 439.349 5.244 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccsc3)N(CCCCC#N)C2=O)c1 790761195 RWPLUNYSFTVOSJ-IBGZPJMESA-N 440.594 5.019 30 20 IKED C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@H]1C(=O)[C@H](C#N)c1nccc2ccccc12 792103089 RKBKYFGIQSNPCG-RKNIQEAPSA-N 437.543 5.195 30 20 IKED COC(=O)Nc1cc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cc(C(F)(F)F)c1 797567689 AKDPACUNLKRONG-ZDUSSCGKSA-N 425.432 5.128 30 20 IKED N#C[C@H]1CC[C@@H](COC(=O)C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)CC1 809091010 XTEQRKRCTJTKNG-DKXQDJALSA-N 433.548 5.187 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H](Cc2ccccc2Cl)c2cccs2)ccc1OC 813860565 RCLPITFICHDSTR-PZJWPPBQSA-N 440.996 6.165 30 20 IKED C=CCC(F)(F)C(=O)NC[C@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12 814824256 OLTPSNPFMHQWMC-GOSISDBHSA-N 428.479 5.035 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)cc1 915086001 QSABOLLGFLZQNQ-HXUWFJFHSA-N 447.523 5.661 30 20 IKED N#C[C@@H](C(=O)CCNc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(Cl)cc2)cs1 915101261 FXVLTJJBWIQUSQ-HNNXBMFYSA-N 426.885 5.050 30 20 IKED COC(=O)c1sc2ncc(C(=O)/C=C/c3ccccc3OCc3cccnc3)cc2c1C 915987122 SYPQKFONWACKQA-MDZDMXLPSA-N 444.512 5.261 30 20 IKED Cc1ccc(-n2nc(C)c(CC(=O)[C@H](C#N)c3ccc4ccccc4n3)c2C)cc1Cl 916848759 POVGVNRYYIWTPG-OAQYLSRUSA-N 428.923 5.418 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1Oc1ccccc1 916907415 YRCFQZGGAIZWOY-HXUWFJFHSA-N 446.890 5.443 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)cc1 916951236 XYKNDXMMLKAQCC-VOIUYBSRSA-N 446.526 5.032 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 917429902 YMICUKUZNZSMEO-AWEZNQCLSA-N 432.471 5.318 30 20 IKED CS(=O)(=O)c1ccc(/C=C\C(=O)c2ccc(-c3ccc(Br)cc3)s2)cc1 918156133 LTKIFDXYOKZBDX-WCIBSUBMSA-N 447.375 5.477 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1OC 918684138 KTCNUHHMYFQOKJ-WZUFQYTHSA-N 439.939 5.048 30 20 IKED Cc1ccc(-c2nc(C=Nn3c(S)nnc3-c3ccc(OC(F)F)cc3)cs2)cc1 918710047 DJFULPPBUJQQPC-UHFFFAOYSA-N 443.504 5.149 30 20 IKED CC(C)c1ccccc1NC(=O)COC(=O)c1cccc(OCc2ccccc2C#N)c1 920417076 YBABRBFIMMINFF-UHFFFAOYSA-N 428.488 5.056 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4ccoc4s3)CCC2)cc1 1786366670 SOJOAKOATJEROF-UHFFFAOYSA-N 438.549 5.225 30 20 IKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cccc(-c4cnco4)c3)CCC2)cc1 1786395150 QLSXBHXHBOHRFX-JOCHJYFZSA-N 449.576 5.044 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cccc4ccncc34)cc2)CCC1 1790860014 XRWKKYYBRLFIJM-UHFFFAOYSA-N 435.474 5.194 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@H](C(C)C)CC3)cc2)CCC1 1791376088 OKIFVYCLPMUKAX-ACRUOGEOSA-N 441.616 5.384 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(-c2ccccc2)s1 1798946812 FVUKYWAKDSWSKH-ACDBMABISA-N 437.609 5.054 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)C1 1804868848 SFPXKHHXCZKTBK-NRFANRHFSA-N 435.612 5.151 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccsc2)CC1 1827103199 MQUNAIJHWJUCTB-GOTSBHOMSA-N 428.642 5.069 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccccc3o2)CC1 1828191090 AXIVJQTYZOYFPO-QFIPXVFZSA-N 436.596 5.659 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1831371653 XZVPILYSWJTVAP-UZUQRXQVSA-N 442.003 5.267 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCc1ccc(Cl)cc1Cl 1847268088 XWYKIBPZUGFQHO-PMACEKPBSA-N 437.411 5.120 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccccc2CC)cc1 10174375 INHPIBSZOGLKEZ-UHFFFAOYSA-O 429.609 5.639 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc([N+](=O)[O-])cc1)=C(/S)Nc1cc(C)ccc1C 22729599 CDVZSDFWFNFFGI-UHFFFAOYSA-O 434.541 5.112 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(Cl)cc2F)n(C2CCCCC2)c1C 25811873 DUSOSDZTCWSXLX-UHFFFAOYSA-N 431.895 5.070 30 20 IKED COc1ccc2c(c1)CN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)c(Cl)c1)CC2 63160729 KUDBRMLSONJJCH-UHFFFAOYSA-N 433.895 5.603 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 63392661 ZRDQEGUVPWNNOM-UHFFFAOYSA-N 428.467 5.170 30 20 IKED Cc1ccc(Cn2nc(C)c(/C=C/C(=O)c3cccc(N4CCOC4=O)c3)c2Cl)cc1 63556774 OCMGVMOFGSJKHU-ZHACJKMWSA-N 435.911 5.054 30 20 IKED N#C[C@@H](C(=O)c1occc1COc1ccccc1)c1nc(-c2c(F)cccc2F)cs1 64715125 RNTOTYFFVWABTM-INIZCTEOSA-N 436.439 5.750 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 97335704 KYHFWPSXWBLMIP-FQEVSTJZSA-N 440.890 5.812 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(C3CC3)no2)nc2scc(-c3ccccc3)c2c1=O 108171000 PAWLNVBCDMVIGV-ZDUSSCGKSA-N 436.562 5.425 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC(c2c[nH]c3ccccc23)CC1 220246564 JGGUAQDIQVBHTK-UHFFFAOYSA-N 425.454 5.127 30 20 IKED CC1(C)OB(c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2)OC1(C)C 261507412 IEFLQJFARQDOBM-UHFFFAOYSA-N 432.372 6.987 30 20 IKED O=C([C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 303930182 VKGVMBYZQBVMAM-GHMZBOCLSA-N 435.286 5.032 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NCc1cccc(F)c1C#N 428356490 UXZHGEGEEYBSSZ-GFCCVEGCSA-N 430.346 5.743 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2oc3ccccc3c2CSc2ncccn2)s1 430638119 CDQILBRWUGGKMD-HNNXBMFYSA-N 448.573 5.759 30 20 IKED N#CCSc1cccc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)c1 430693033 YROZSGNXAMHKEZ-UHFFFAOYSA-N 442.544 5.145 30 20 IKED CCc1cccc2c(C3CCN(C(=O)CCCC(=O)Nc4ccccc4C#N)CC3)c[nH]c12 432715702 GJFWGRGAJISODP-UHFFFAOYSA-N 442.563 5.117 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccccc1 432904584 IIDYYTIQLRDTGF-LJQANCHMSA-N 436.899 5.742 30 20 IKED N#CCCn1cc(CN(Cc2cccc(-c3cccnc3)c2)C2CC2)c(-c2ccncc2)n1 435135765 USAFEWLXDQZKAJ-UHFFFAOYSA-N 434.547 5.085 30 20 IKED C=CCC[C@H](NC(=O)NC1CCN(C(=O)[C@H](CC)c2ccccc2)CC1)c1ccccc1 435763412 MANTZGMQNYRPOY-RPBOFIJWSA-N 433.596 5.178 30 20 IKED C[C@@H](NC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 435796718 BHZFMBLSRDZIOH-PXAZEXFGSA-N 429.364 5.631 30 20 IKED C[C@@H]1CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC[C@H]1c1ccccc1 437883012 TWCKRMFXCHLIOI-KBMIEXCESA-N 438.531 5.468 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)cc1 438181143 DLCYLVGANHMBRG-GAJHUEQPSA-N 445.494 6.113 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](CO)c1cccc(Cl)c1F 439348733 AYMXDJDKKBCZOR-NRFANRHFSA-N 439.874 5.307 30 20 IKED N#CCC[C@H](NC(=O)Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)c1ccccc1 439488567 ZGEAYIUTKNROPI-DEOSSOPVSA-N 436.519 5.160 30 20 IKED C[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)N[C@@H](C)c1cc2ccccc2o1 439561564 OFQGHDVTTRIUBJ-OALUTQOASA-N 439.515 5.561 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)N[C@H](C)C(=O)N(CCC#N)c3ccccc3)s2)cc1 439606669 LBCGHIPWPMHQFC-UYAOXDASSA-N 432.593 5.413 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1cccc(Cl)c1SC(C)C 441696693 SMUGNZAVSVQWIU-UHFFFAOYSA-N 432.973 5.002 30 20 IKED C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 443600189 FHASQNOSCGZAQW-INIZCTEOSA-N 434.927 5.278 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3CC(=O)c3cccs3)cc2)cc1 443673278 GRHRYRBWNNVUBE-HXUWFJFHSA-N 430.529 5.484 30 20 IKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)c12 443883472 VXQDONSKLMJQKB-UHFFFAOYSA-N 440.356 5.480 30 20 IKED Cc1nc([C@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c2ccccc2F)no1 444398446 QLNJYXGCQLPJSU-JOCHJYFZSA-N 443.438 5.092 30 20 IKED Cc1nnc2ccc(-c3noc(-c4cccc(Oc5ccc(Cl)cc5C#N)c4)n3)cn12 445632571 RLBKKYKTPGZENJ-UHFFFAOYSA-N 428.839 5.072 30 20 IKED COCCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H]1C[C@H]2CC[C@H]1C2 446127739 STVUJGVXTZSDNK-WATLYSKOSA-N 433.552 5.001 30 20 IKED N#Cc1ccc(C(=O)N(Cc2ccc(OC(F)F)cc2)C23CC4CC(CC(C4)C2)C3)cn1 446213224 ZLQCSKPXGMALGG-UHFFFAOYSA-N 437.490 5.166 30 20 IKED CCCc1c(NC(=O)[C@H](C)c2cccc(Br)c2)cnn1-c1cccc(C#N)c1 462340031 WSCLPHXEWDEQBP-OAHLLOKOSA-N 437.341 5.201 30 20 IKED COc1ccc([C@@H](NC(=O)[C@H](C)c2cccc(C#N)c2)c2ccccc2)cc1Br 463951976 CJTDLFQPHYTSLY-MWTRTKDXSA-N 449.348 5.339 30 20 IKED CN(Cc1nccn1Cc1ccccc1)C(=O)c1ccccc1Sc1ccccc1C#N 464302574 SHEQLJVLGJRNKZ-UHFFFAOYSA-N 438.556 5.226 30 20 IKED CN1CCC[C@@H](CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)[C@@H]1c1cccs1 466097595 HNJRTFJPEIWKIJ-YADARESESA-N 446.576 5.617 30 20 IKED C[C@@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)Sc1ccccc1 466314573 PIJXAMXMAWSWNY-IBGZPJMESA-N 431.561 5.634 30 20 IKED Cc1csc(NC2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)n1 473671166 RYEAOKMNLYFSAX-UHFFFAOYSA-N 433.537 5.224 30 20 IKED N#CCC[C@H](NC(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1)c1ccccc1 474018579 UNXBOVCSJAVYKJ-VQTJNVASSA-N 433.499 5.550 30 20 IKED CCCC(=O)Nc1cccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1C 479567723 QOXQELQFOFXKCA-UHFFFAOYSA-N 429.545 6.009 30 20 IKED Cc1c(C(F)(F)F)nn(C)c1NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 480104044 OUEUSKQURFZZNF-AWEZNQCLSA-N 427.430 5.169 30 20 IKED C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 480373589 XLJLSDFWGIPVCT-KKSFZXQISA-N 431.458 5.526 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)nnc1-c1ccc(C)cc1 481360349 SQFLOFFFAZKFIS-HNNXBMFYSA-N 444.507 5.160 30 20 IKED CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)CSc1ccc(C#N)cc1 481920477 MNFNUZIPNUKCLN-UHFFFAOYSA-N 444.585 5.223 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 482161358 CVAYOXAMKPMNDP-UHFFFAOYSA-N 445.482 5.246 30 20 IKED CCCOc1c(Br)cc(C(=O)[C@H](C#N)c2nccc3ccccc23)cc1OC 483189644 BWNCGMJGWOYVDN-QGZVFWFLSA-N 439.309 5.285 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(Cl)c2Br)c1 486826053 PBVISTQCLQBYPV-UHFFFAOYSA-N 431.673 5.398 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)s1 487477194 YGJIRFQLDRGQOE-UHFFFAOYSA-N 433.386 5.282 30 20 IKED CC(C)CCN(CCCC1(C#N)CCOCC1)S(=O)(=O)c1cc(Cl)ccc1Cl 499927532 JGQQTVQNULJCMO-UHFFFAOYSA-N 447.428 5.131 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)c1ccc(-c2ccc(Br)cc2)s1 505201733 ZNQGPZBYXKAYII-UHFFFAOYSA-N 426.339 5.129 30 20 IKED CCN(C(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1)[C@H](C)c1ccc(C#N)cc1 509576364 VFEMETZIBOHGCV-QGZVFWFLSA-N 447.608 5.006 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cscc1Br 511886427 CYLAYORJGXLXFQ-UHFFFAOYSA-N 435.290 5.787 30 20 IKED N#CC1(CCCSCc2ccc(I)cc2Cl)CCOCC1 512383005 RCZVWWYUXLVOAH-UHFFFAOYSA-N 435.758 5.278 30 20 IKED Cc1cccc(-n2ncc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)c2C(F)(F)F)c1 513160356 MHHCFXFABOFRGS-AWEZNQCLSA-N 438.331 5.103 30 20 IKED O=C(c1cnn(-c2ccccc2F)c1C(F)(F)F)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 513513406 SHOKZLZKCAGDTD-OAHLLOKOSA-N 449.370 5.225 30 20 IKED C=CCN(CC=C)C(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1C1CCCC1 514361374 GCKVQOKTTXOGKG-MRXNPFEDSA-N 431.005 5.395 30 20 IKED N#Cc1c(NC(=O)c2ccccc2CSc2nc3ccccc3o2)sc2c1CCCC2 514597814 YJIZDGLERRFOLF-UHFFFAOYSA-N 445.569 6.184 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F 518147964 KICBAMZFBWLFMX-GFCCVEGCSA-N 447.898 5.362 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 518256613 IQCXEAWINNZNNG-KRWDZBQOSA-N 444.000 5.604 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(NC2CCCCC2)s1 518653291 YPCXGMYCFKYSGE-AWEZNQCLSA-N 447.655 5.408 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ccoc2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 519437469 FLWWNRIIOJGEHP-CYBMUJFWSA-N 446.340 6.323 30 20 IKED C[C@@H](NC1(CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CCCC1)c1ccccc1 520290470 OIFFMWMDZRBSEM-HXUWFJFHSA-N 443.547 5.124 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CCCc3nc(-c4cccs4)no3)cc2)c1 521325807 SYQUEJLKEIWIJE-UHFFFAOYSA-N 430.489 5.423 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(CN3CCCCCC3)cc2)o1 521583808 QMTKLWVVLCANSN-UHFFFAOYSA-N 429.520 5.359 30 20 IKED Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 521954457 PARMIGBHRFXHBF-UHFFFAOYSA-N 436.471 5.688 30 20 IKED N#CCSc1ccccc1NC(=O)CNc1ccccc1OCc1cccc(Cl)c1 524236582 WTDGDECJDKXBDF-UHFFFAOYSA-N 437.952 5.585 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnc(-c2ccccc2F)s1 524388552 KXXLBTAAIUXXTK-UHFFFAOYSA-N 443.503 5.961 30 20 IKED C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)Nc1ccccc1SC[C@H](C)C#N 524566167 PGHZVYYBJAOWOZ-MOPGFXCFSA-N 435.618 6.795 30 20 IKED CC1CCC(OC2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)CC1 524679165 WSLNCPRRGQETSJ-UHFFFAOYSA-N 433.552 5.942 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2ccc(Oc3ccccc3)cc2)nnc1-c1cccnc1 525623838 GKCGIVDKPBSINJ-GOSISDBHSA-N 442.544 5.682 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1ccccc1C(F)(F)F)C1CC1 533240768 XLGLSOAIAYIKMY-INIZCTEOSA-N 447.526 5.703 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@@H](c3cccnc3)C3CC3)cc2Cl)c1 534772189 QUARVIPPYUVJMS-HSZRJFAPSA-N 432.911 5.458 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 539151685 QTNOKRMTULVQDM-MJWYBRSISA-N 433.936 5.525 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1cccc(F)c1)C1CCCC1 539329270 DTDUBVBOBJAPIM-OSPHWJPCSA-N 425.573 5.680 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N(Cc3ccco3)Cc3cccs3)n2)c(Cl)c1 541098352 KHIGNMHLXNRXLL-UHFFFAOYSA-N 437.912 5.286 30 20 IKED COc1ccc(NC(=O)C[C@@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(OC)c1 542106469 NFYOLQSJAQDHKU-RTBURBONSA-N 443.547 5.310 30 20 IKED CC(C)NC(=O)Nc1ccc([C@@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 542106681 ODMIMXPJRUIPIV-VQTJNVASSA-N 426.564 6.167 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 542987710 DNWXRVASNWBFHD-QGZVFWFLSA-N 440.425 5.043 30 20 IKED COc1cccc([C@H]2CN(C(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CCO2)c1 543942419 KXGCVLNSAJFTGB-AFMDSPMNSA-N 441.531 5.078 30 20 IKED C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)c2ccc(C)cc2C)CC1 549249474 CKYFJQUCEYSHFE-UHFFFAOYSA-N 439.563 5.109 30 20 IKED C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 552070434 PKEDIGUPUIOFLQ-IRXDYDNUSA-N 427.951 5.218 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(CN4CCSCC4)cc3)n2)cc1 558183388 RBZCEJCSXGWWKP-NRFANRHFSA-N 433.602 5.157 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(CN4CCSCC4)cc3)n2)cc1 558183389 RBZCEJCSXGWWKP-OAQYLSRUSA-N 433.602 5.157 30 20 IKED Cc1csc(-c2cccc(NC(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)c2)n1 558349520 RFLWYOZBHPUQFG-UHFFFAOYSA-N 436.512 5.205 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](Sc1ccccc1F)c1ccccc1 566906761 ZXCNNLIHFWNYSG-GAJHUEQPSA-N 436.577 6.550 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)CC1 570058673 SIZFPENCMCLKKM-UHFFFAOYSA-N 433.899 5.012 30 20 IKED C=CCN(C(=O)c1ncsc1C(F)(F)F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 572258623 VBAMNIPSXQWDKT-UHFFFAOYSA-N 440.428 5.026 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3cnc(-c4ccccc4Cl)s3)CC2)c(F)c1 586828893 YRFNCLUINOIRKI-UHFFFAOYSA-N 441.915 5.158 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3ccc(C#N)c(Cl)c3)c3cnn(C(C)C)c3n2)c(C)o1 590613200 PCWDPWAFFOFFSP-UHFFFAOYSA-N 433.899 5.666 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3)c2)cc1 603924041 XCQUHGSLMXKUSZ-UHFFFAOYSA-N 442.906 5.423 30 20 IKED C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 606181963 KHLKBZBRCLUROL-HONMWMINSA-N 435.330 5.473 30 20 IKED CCO[C@H](C)c1ncc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1 608552927 VJMHUCOVOQPEMI-MWLCHTKSSA-N 425.457 5.359 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCc4[nH]c5ccc(Cl)cc5c4C3)o2)cc1 609070721 JONRDHJRMFFYDQ-UHFFFAOYSA-N 431.879 5.063 30 20 IKED Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609103878 GSUUXTNJXFTTNP-UHFFFAOYSA-N 447.491 5.483 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)s2)cc1 609185249 UIAWXGZUUAZFLU-UHFFFAOYSA-N 447.560 5.073 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1nnc([C@H](CC)c2ccccc2)s1 609318902 FVNQNYXVYNSHRH-LJQANCHMSA-N 437.525 5.208 30 20 IKED CCOc1cc(CNC2CCN(CC#N)CC2)ccc1OCc1c(Cl)cccc1Cl 609334891 JYTGFTBGQXLSJL-UHFFFAOYSA-N 448.394 5.049 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc(F)cc1Cl 609378574 PVYRSPACKDZJNZ-UHFFFAOYSA-N 432.826 5.521 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1ccccc1 609421540 KZTYBFKXAQZBSP-UHFFFAOYSA-N 439.384 5.006 30 20 IKED N#CCCSc1ccccc1NCc1nc(Cc2cccc(Br)c2)no1 609450664 QDXBIZNGFVEUGT-UHFFFAOYSA-N 429.343 5.041 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(Oc3nccs3)c2)cc1Cl 609906954 ATZYNZVHMLOYOJ-OAQYLSRUSA-N 445.931 6.497 30 20 IKED COc1ccc(N(Cc2ccco2)C(=O)c2ccc(COc3ccccc3C#N)o2)cc1F 610051821 NRDUKYPDGDVJQS-UHFFFAOYSA-N 446.434 5.318 30 20 IKED C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 611557016 YDFJHHZBOZBQLB-YOEHRIQHSA-N 435.421 5.471 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1ccc(Cl)c(Cl)c1 615342342 DLRHDCZJRVGLEC-OAHLLOKOSA-N 425.429 5.653 30 20 IKED O=C(c1ccccc1OCc1ccc(F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618295504 RWWOVWZDRRQVLN-HUUCEWRRSA-N 449.366 5.608 30 20 IKED C=CCOc1cccc(NC(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)c1 619352105 MINIBDQVDBCJLL-UHFFFAOYSA-N 426.314 5.085 30 20 IKED Cc1c(CNC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)oc2ccc(F)cc12 620090530 RFADKIQUIQCYHI-GHMZBOCLSA-N 426.332 5.153 30 20 IKED O=C(C[C@@H](c1ccccc1)C(F)(F)F)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 622585217 UWMWKVMOXHYCII-PKOBYXMFSA-N 433.367 5.839 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N1CCC(CC(F)(F)F)CC1 672732623 PTACXGVIAMWMPL-QWRGUYRKSA-N 428.339 5.270 30 20 IKED O=C(Nc1ccccc1C#Cc1ccccc1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674572499 IUDZWHOPNTXMCH-CALCHBBNSA-N 426.360 5.291 30 20 IKED O=C(Nc1ccccc1C#Cc1ccccc1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674572501 IUDZWHOPNTXMCH-IAGOWNOFSA-N 426.360 5.291 30 20 IKED Fc1ccc([C@@H](N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2cccnc2)c(F)c1 680336774 MWKGDBSLVWFGIQ-OJIVJNGMSA-N 438.362 5.948 30 20 IKED N#Cc1ccc(NC(=S)NCc2cccc(NC(=O)C3CCCCC3)c2)cc1Cl 726480439 HHFOBRPTDRAKFU-UHFFFAOYSA-N 426.973 5.217 30 20 IKED C=C(C)COc1cc(/C=C2\SC(=S)N([C@H](C)c3cccs3)C2=O)ccc1OC 726631038 ZQJCXSFLBLACMM-AXLWCPOOSA-N 431.604 5.674 30 20 IKED CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2cc(C#N)ccc2OC(F)F)cc1 728126582 XOMSWEXCAOJYFT-UHFFFAOYSA-N 440.450 5.053 30 20 IKED Cc1sc2nc3n(c(=O)c2c1-c1ccccc1)CC/C3=C/c1ccc(O[C@@H](C)C#N)cc1 728699265 DVZNAEZYQPUZDN-IEOAWGNMSA-N 439.540 5.669 30 20 IKED CC[C@H](C)n1c(-c2ccccc2)nn(CN2CCC(Oc3cccc(C#N)c3)CC2)c1=S 729467257 WQYNMCQCINVAGM-IBGZPJMESA-N 447.608 5.425 30 20 IKED CS(=O)(=O)Nc1cccc(C(=O)/C=C/c2ccc(-c3ccc(C(F)(F)F)cc3)o2)c1 729819077 CHWJZUNJBTYIJU-PKNBQFBNSA-N 435.423 5.233 30 20 IKED CC(C)OCCCNC(=O)[C@H](C#N)C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 729888798 KOPTVULBGNWMRK-LLVKDONJSA-N 447.771 5.115 30 20 IKED Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C/c1csc([N+](=O)[O-])c1 730148983 RGLMOEACTKXLCZ-VOTSOKGWSA-N 435.324 5.747 30 20 IKED C#CCN(C(=S)Nc1ccc(OCC)cc1)[C@H]1CCOc2ccc(Br)cc21 733087118 OJBGTRXXWSSJDY-IBGZPJMESA-N 445.382 5.004 30 20 IKED CN(C)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc(Cl)n1 733104681 JCODEUACNNNPPA-UHFFFAOYSA-N 428.867 5.078 30 20 IKED C#CCN(C(=O)N[C@H](C)c1ccc(C)s1)[C@H]1CCOc2ccc(Br)cc21 733644661 DKGNIBBHDYWUQA-PBHICJAKSA-N 433.371 5.049 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(CC)[C@H](C)c2cc3ccccc3o2)ccc1OC 733656391 KJRNCUJPTDWYBI-XLIONFOSSA-N 435.524 5.415 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1 733775059 PQMBEKXMJQLUTA-HNNXBMFYSA-N 427.863 5.054 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(Cc3ccccc3F)n2)cc1 735594277 WHAFQZCEIGNNKB-IBGZPJMESA-N 435.524 5.177 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@@H]3c3ccccc3OC(F)(F)F)n2)cc1 741431690 STUWWUBOCTVQGT-FGTMMUONSA-N 442.462 5.997 30 20 IKED Cn1cc(/C=C/C(=O)c2ccc(SCC(F)F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 741843804 QMZMHNWQENQEDB-IZZDOVSWSA-N 429.448 5.249 30 20 IKED O=C(O)COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1Br 742429371 NPHMVYAEJALUQW-ORCRQEGFSA-N 430.081 5.115 30 20 IKED N#Cc1ccccc1NC(=S)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 743585163 XAPTYVHLJIYOGQ-UHFFFAOYSA-N 433.408 5.160 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@H]1C[C@@]12CCCc1ccccc12 744029690 UDRUZPKNDMVBCO-TWLCBMPQSA-N 436.511 5.420 30 20 IKED C=CC[C@H](NC(=O)N[C@H](c1cccc(SC)c1)c1cc(F)ccc1F)c1ccncc1 745827167 HBBWXMDLPVSSBD-XZOQPEGZSA-N 439.531 5.788 30 20 IKED COc1ccc(C(=O)/C=C\c2ccc(OC)c(OCCCC#N)c2)cc1Br 747361205 HCOYKABTNVIZOF-YVMONPNESA-N 430.298 5.045 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N2CCC[C@H]2c2nc3ccccc3n2CC)cc1OC 751233522 UVLJNDHQLSXPOL-GGPCEYCGSA-N 431.536 5.007 30 20 IKED O=C(/C=C\c1nc(-c2cc(Cl)ccc2Cl)cs1)c1ccc(C(F)(F)F)nc1O 753901118 XANUIVRUPVPWTQ-XQRVVYSFSA-N 445.249 6.132 30 20 IKED CCN(CC)C(=O)C1(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCCCC1 760008096 NSCWBPNHGWNGEY-HSZRJFAPSA-N 432.568 5.035 30 20 IKED Cc1ccc(F)cc1NC(=O)C=NO[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 760437847 KILYYOPDLFJFQU-LLVKDONJSA-N 437.258 5.193 30 20 IKED C=CCn1c(-c2ccccn2)nn(CNC2(c3cccc(C(F)(F)F)c3)CCC2)c1=S 764135608 RTRKAPLYCOCQPQ-UHFFFAOYSA-N 445.514 5.307 30 20 IKED CN(Cc1cccc(C#N)c1)Cn1nc(-c2cccc(Cl)c2)n(Cc2ccco2)c1=S 764879577 JXZZUBDJHLRJCT-UHFFFAOYSA-N 449.967 5.337 30 20 IKED CC(C)(C)OC(=O)N1CCC(CCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)CC1 765914357 BTYCJOSAVRMGNZ-INIZCTEOSA-N 447.988 5.553 30 20 IKED COc1cc(C#N)cc(Br)c1OC(=O)c1csc(-c2ccccc2Cl)n1 769716570 MBQHIQIHGPMVES-UHFFFAOYSA-N 449.713 5.325 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 773275991 PUKHBAGKIMKFAJ-OZOXKJRCSA-N 427.545 5.340 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CSc3cc(C)c(C)cc3C2=O)cs1 777471384 RZKRZJXYXUGZIY-YBEGLDIGSA-N 438.549 5.956 30 20 IKED Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(N[C@H](C)c3ccc(C#N)c(F)c3)cc2Cl)n1 777654114 ZHVVEOBFWKZRCL-HZPDHXFCSA-N 439.922 5.537 30 20 IKED O=C(CN[C@H](c1c(F)cccc1F)C(F)(F)F)Nc1ccccc1SC(F)F 780421916 QDPIETOJLDPPQS-OAHLLOKOSA-N 426.357 5.111 30 20 IKED CCCc1c(NC(=S)Nc2c(Cl)ccc(C)c2Cl)cnn1-c1cccc(C#N)c1 783953719 YWMRFEPNYHYNFZ-UHFFFAOYSA-N 444.391 6.121 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cc(Br)ccc3F)n2)cc1 784493087 PJFRTWROCOTCLS-MRXNPFEDSA-N 429.314 5.439 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1N=Nc1ccc(O)cc1 784503176 WDDQYCWXEJFEJZ-UHFFFAOYSA-N 434.839 5.128 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)c1cc(-c2cccs2)nc2ccccc12 784689088 SRMMMFIWTHPGJV-UHFFFAOYSA-N 429.501 5.112 30 20 IKED C=CCn1c(SCc2ccc(Cl)nc2C(F)(F)F)nnc1-c1ccccc1OC 786710187 OAAQKKAXGNLHOT-UHFFFAOYSA-N 440.878 5.499 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)Cc1cccc(C(F)F)c1)c1ccc(Cl)cc1Cl 790796370 XVFMIVXXRDMYDC-MEDUHNTESA-N 425.262 5.060 30 20 IKED N#Cc1ccc(COC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1F 791457414 GSGRADVSMYOKKX-UHFFFAOYSA-N 434.254 5.120 30 20 IKED C=CCC1(C(=O)OCc2csc(N(C(C)=O)c3c(C)cc(C)cc3Cl)n2)CCC1 791564339 ISPICCBYXSLPST-UHFFFAOYSA-N 432.973 5.888 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(Br)c2)n1)c1nccc2ccccc12 792101741 CEKGZDBEFMLVTP-IBGZPJMESA-N 448.345 5.540 30 20 IKED CC(=O)N(c1nc(COC(=O)c2ccc(C(C)(C)C#N)cc2)cs1)c1ccccc1F 796041588 XBPMWFNDUDMOCN-UHFFFAOYSA-N 437.496 5.125 30 20 IKED N#C[C@H](C(=O)[C@H]1CCN(CC(F)(F)F)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 796644969 ZTSPQEVOZWSOCE-GXFFZTMASA-N 448.297 5.177 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)CCc1cnc2ccccc2c1)c1ccc(Cl)cc1Cl 796891927 IJDFYKHQYDLXBV-LIRRHRJNSA-N 440.330 5.060 30 20 IKED COc1ccc(Br)cc1C(=O)CCC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797571849 RRXWFCRZIKYMJI-AWEZNQCLSA-N 449.370 5.051 30 20 IKED N#C[C@@H](C(=O)/C=C/Sc1cc(F)ccc1F)C(=O)Nc1ccc(Cl)cc1Cl 797942563 FXTBDYJGPLEJCE-FYJFLYSWSA-N 427.259 5.225 30 20 IKED C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 806201041 RRHCXKODQOOGDH-WZONZLPQSA-N 440.551 5.200 30 20 IKED COc1cccc(-c2nn(C(C)(C)C)cc2/C=C2\C[C@@H](C(=O)O)c3ccccc3C2=O)c1 806559336 AGTKIITXIXMCEV-YAECTWJJSA-N 430.504 5.152 30 20 IKED O=C1/C(=C\c2csc(-c3cccc(Br)c3)n2)C[C@@H](C(=O)O)c2ccccc21 806561500 VJUCLNUCJCUKHZ-YVJSUPCUSA-N 440.318 5.411 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCSc1cccc(Cl)c1 808979515 JJLAHNMYKHFFAX-OAHLLOKOSA-N 437.348 5.140 30 20 IKED C[C@@H](Cc1cnc2ccccc2n1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 815925874 UKPRRBYWELMZAL-ZFWWWQNUSA-N 434.471 5.087 30 20 IKED C#Cc1ccc(-c2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)nc1 904668838 PIJHEOZVOLWETN-UHFFFAOYSA-N 442.784 5.639 30 20 IKED Cc1ccsc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1 914547552 YFHMARWVQLCIAC-LJQANCHMSA-N 435.574 5.217 30 20 IKED Brc1ccc(-c2nc3ccccn3c2C=NNc2nncc3ccccc23)s1 915937380 GYFMUKHDYKQGPV-UHFFFAOYSA-N 449.337 5.215 30 20 IKED CCOc1cc(C=Nn2c(S)nnc2C(C)C)ccc1OCc1c(F)cccc1Cl 916310744 HPKYAAFRADBPIY-UHFFFAOYSA-N 448.951 5.343 30 20 IKED CC(C)c1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)nn1C(C)(C)C 916886785 ITWDQGQRKJPTKB-OAHLLOKOSA-N 434.512 5.037 30 20 IKED N#C[C@@H](C(=O)/C=C\c1cc(Br)ccc1F)c1nc(-c2ccccc2)cs1 917025537 NBCPSIIZGHABOB-HWYHOQROSA-N 427.298 5.601 30 20 IKED C/C=C\c1ccc(OCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(OC)c1 917042862 ICGKOFKQODEADK-ABCZVMIZSA-N 446.450 5.612 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Br)cc2Cl)cc1 917119798 XFWWIJLFYSLYSP-IBGZPJMESA-N 425.713 6.010 30 20 IKED Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)OCC(=O)[C@@H](C#N)c5nc(C)cs5)(C4)C2)C3)cc1 921249182 DNRXINFIDFRQDL-GBELUZKSSA-N 448.588 5.018 30 20 IKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)sc4Cl)CCC3)cc2)CC1 1787881335 KOGJKLVIBMMCRF-UHFFFAOYSA-N 434.348 5.106 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CNc4ccccc43)cc2)CCC1 1788044483 QHGNOOBRKYCGPH-QHCPKHFHSA-N 429.564 5.098 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3c(C)noc3C)CCC2)cc1 1789452899 DPVLJAHYHUMMIJ-QFIPXVFZSA-N 435.568 5.127 30 20 IKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)C4(F)CCCCC4)CCC3)cc2)c1 1790764125 VZPKHOBTLCXECE-UHFFFAOYSA-N 437.490 5.117 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)ccc4[nH]3)CCC2)cc1 1791298772 VKELXSIVCFBEHZ-UHFFFAOYSA-N 441.453 5.266 30 20 IKED CC(C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@H](C)C#N)c1)C2)c1ccccc1 1793209180 KMFWQBGCCPMEGH-FRTMRTDSSA-N 443.591 5.005 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(F)cc(Cl)cc1Cl)C2 1798340424 ZMONRTATGHJALV-YYIAUSFCSA-N 439.358 5.153 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@H](C)Sc3ccccc3)C2)CC1 1805848489 MYEPKEDNTDMYLN-NRFANRHFSA-N 442.669 5.391 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3ccoc23)[C@@H]1c1cccnc1 1812227663 CCAZLELMWPQFQC-GGAORHGYSA-N 445.563 5.140 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2oc3ccccc3c2C)[nH]n1 1819305258 FWBGVQGRMNXFPB-NQIIRXRSSA-N 446.551 5.539 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)ccc2Cl)[nH]n1 1819308929 IKABKWJASPNGLO-JXFKEZNVSA-N 444.938 5.277 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@H](C)c2ccccc2)n[nH]1 1822039320 UEDGZHNGMSQRQX-WMZHIEFXSA-N 434.584 5.364 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C)c2F)CC1 1823902979 GDMIVCVPAKHOQD-JTHBVZDNSA-N 426.576 5.136 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(OCC)c2)CC1 1824143169 HHFSUMXEHRUUHD-RUZDIDTESA-N 438.612 5.087 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)c2ccc(O)cc2)CC1 1830338437 SVIZALQSKNYYPF-HYBUGGRVSA-N 440.628 5.108 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/Sc2ccc(C)cc2)CC1 1831372904 KWJJVLSQSRVYIV-QXKQUKBESA-N 440.653 5.433 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C3CC3)cc2)CC1 1831447168 PBNFSWVCOAHGQY-JOCHJYFZSA-N 430.539 5.009 30 20 IKED CC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)CC1 1831695582 CUWFYZBKMYQNIT-LPPUWEFUSA-N 449.639 5.202 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc(F)c2F)CC1 1832635843 VRPFVLWFNWOJCJ-QFIPXVFZSA-N 448.529 5.106 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(C)c(C)c2)cc1 11162033 AMPLMQYNFQVYNE-UHFFFAOYSA-O 434.629 5.550 30 20 IKED CCn1c(S[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1ccccc1 21867850 XBMDAZDGUAILFB-LJQANCHMSA-N 433.581 5.009 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(C)c(C)c2)cc1 22695439 NHRUHTYZIUQRSM-UHFFFAOYSA-O 439.551 5.873 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)cc2C)[n+]2ccc(CC)cc2)cc1 22729535 PFFOSNBGSIBAFG-UHFFFAOYSA-O 433.597 5.603 30 20 IKED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 23610368 NVQUWMGICJHZME-MRXNPFEDSA-N 444.988 5.145 30 20 IKED C=CCn1c(S[C@@H](C)c2nc3ccccc3n2C(F)F)nnc1-c1cccc(C)c1 30598327 FJNXECWESRLLAP-HNNXBMFYSA-N 425.508 6.038 30 20 IKED Cc1nnc(SCc2c(C(=O)Nc3sc(C)c(C)c3C#N)oc3ccccc23)s1 109385864 XOJSESFQCUEQII-UHFFFAOYSA-N 440.575 5.687 30 20 IKED CC1(C)OB(c2ccn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)OC1(C)C 203850130 UDDYXPPGFPNPGX-UHFFFAOYSA-N 436.364 5.023 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccc(F)cc1F)C1CCCC1 438042528 QHQCAMYHQZXAMK-INIZCTEOSA-N 429.536 6.193 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)NCc2cc(C#N)ccc2F)c(C(F)(F)F)c1 438196523 DDFPSQVXIVUNRY-GFCCVEGCSA-N 425.451 5.928 30 20 IKED C=CCOc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 438536693 QNJHMSHGLQNAQH-UHFFFAOYSA-N 426.925 5.149 30 20 IKED C=CCN(C(=O)[C@H]1C[C@@H]1c1sccc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 439854313 JHTUQDRHCLHQCZ-IRXDYDNUSA-N 425.535 5.411 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(Cc1ccccc1)[C@H](C)C(C)(C)C 441401037 BBRJUPIHVVQQPX-RTBURBONSA-N 437.609 5.483 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1 444498253 YNHDFZBWWQTVQW-GCJKJVERSA-N 448.510 5.064 30 20 IKED N#Cc1ccsc1NC(=O)CCN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444741492 HLCANDRPDDKLPQ-CQSZACIVSA-N 435.393 5.250 30 20 IKED C[C@@H](Oc1ccccc1C#N)c1nc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)no1 445371931 MMVZUCFLXDNYJY-QGZVFWFLSA-N 440.459 5.055 30 20 IKED N#Cc1cccnc1-n1cc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cn1 461303413 CHNTXZFVNMRFJE-UHFFFAOYSA-N 445.935 5.337 30 20 IKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)cc(-c3ccco3)nc21 464407713 PXCHULIRCUUHPP-HNNXBMFYSA-N 439.397 5.176 30 20 IKED CCc1ccc([C@@H](COC)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)o1 466069681 RREJFPVRMXIJST-IFMALSPDSA-N 437.927 5.660 30 20 IKED C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(=O)Nc1ccc(Cl)c(Cl)c1 469354390 XNYBRBPMLLWTKQ-AWEZNQCLSA-N 445.350 5.015 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3cc4ccccc4c4cccnc34)ccc21 470846982 KECAVFOWJQWQGK-UHFFFAOYSA-N 434.499 5.223 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)c2)cc1 474432842 IMSGHMAKZSOHPT-QHCPKHFHSA-N 446.572 5.857 30 20 IKED N#CCc1ccccc1S(=O)(=O)Nc1cccnc1Oc1ccc(Cl)cc1Cl 475835168 SJYQJFOHZRBTHC-UHFFFAOYSA-N 434.304 5.048 30 20 IKED C=CCn1c(SCc2csc([C@H](C)OC)n2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 476509079 BWXMQFYRYKABRO-OLZOCXBDSA-N 447.651 5.225 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)NCc2nc3cc(Cl)ccc3s2)CC1 476816934 OONWAOZEHAPPBM-UHFFFAOYSA-N 440.956 5.011 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2cccc3ccccc23)cc1 478829641 BMAJMELMSMWAST-SANMLTNESA-N 447.538 5.485 30 20 IKED CC(C)(C)[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccc(F)cc1 482189853 ZNFWDNURZWJTSO-JOCHJYFZSA-N 427.495 5.177 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccc(Br)cc2)nc1)c1nccc2ccccc12 483240508 UDIVIRJZZFXVCY-FQEVSTJZSA-N 444.288 5.675 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](c2cnn(C)c2)C(C)(C)C)cc1 483668206 KLFXUNRYNBJXRX-QFIPXVFZSA-N 433.512 5.002 30 20 IKED CC1(C)CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC[C@@H]1C(F)(F)F 483710832 NMWLUPMWTYUITP-FQEVSTJZSA-N 449.448 5.719 30 20 IKED N#Cc1cccc(OCCCCC(=O)N(c2ccc(F)c(Cl)c2)c2nccs2)c1 488999775 CAUGRDDAHYYGDP-UHFFFAOYSA-N 429.904 5.721 30 20 IKED C[C@@H](NC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1nc(C(F)(F)F)cs1 489055789 SWKGJDJUPMKYRO-KBUNVGBDSA-N 449.779 5.618 30 20 IKED CC(C)(C)n1ncc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c1-c1ccccc1 489735252 JUPBMPPYFCZLRL-LJQANCHMSA-N 426.442 5.319 30 20 IKED COc1ccc(C#N)cc1NC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 495386520 WMRTVEBYHUBAQB-UHFFFAOYSA-N 426.929 5.241 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](Cc1ccc(C)cc1)c1ccccn1 497607581 MWBDBGJJWLDDEZ-RUZDIDTESA-N 431.584 5.239 30 20 IKED CCCN(CC(F)F)C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 498434853 SBSSOSOJZXSHFQ-UHFFFAOYSA-N 429.311 5.027 30 20 IKED O=C(CCOCC(F)(F)C(F)F)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1 498875689 UCFIPXJFVZHEJL-UHFFFAOYSA-N 439.331 5.090 30 20 IKED N#C[C@@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccc(Br)cc1 499394052 JWIIVRNMZZPRIK-HXUWFJFHSA-N 449.308 5.088 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 500591568 PYSKDBHUGCZRPI-AWEZNQCLSA-N 441.940 5.526 30 20 IKED C=CCc1cc(-c2nc(-c3ccc(OCc4cccnc4)cc3)no2)cc(OC)c1OC 504815976 AZOFVELZARKGEK-UHFFFAOYSA-N 429.476 5.123 30 20 IKED CC(C)(C)CC(=O)Nc1ccc(CC(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1 505947539 JAIZDFCQSRGGMF-LJQANCHMSA-N 432.351 5.292 30 20 IKED N#CCCn1cc(CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)c(-c2ccccc2)n1 507067651 OGGJWIJWSCKFBS-UHFFFAOYSA-N 432.955 5.212 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 507871445 FIAFSLGTXVJFEO-UHFFFAOYSA-N 443.484 5.818 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1 508161408 LPOHFUXEBGCFES-UHFFFAOYSA-N 434.467 5.064 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)N1CCC(C)(C#N)CC1 508336660 ATSMYTSGRIENTM-CQSZACIVSA-N 447.402 5.277 30 20 IKED C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(Oc2ccccc2Cl)CC1 508811939 JHOPGRSZGSMWNR-UHFFFAOYSA-N 447.970 5.237 30 20 IKED N#Cc1ccc(NC(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1Cl 509505386 FMFXJBLKPSPQCB-UHFFFAOYSA-N 441.922 5.445 30 20 IKED CN(Cc1cccc2ccccc12)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511338740 HNMZDXJZPFHSSO-UHFFFAOYSA-N 435.527 6.149 30 20 IKED C=CCOc1ccc(C(=O)Nc2nc3c(Cl)cccc3n2CC(F)(F)F)cc1OC 511543802 YVBKWAIKLVEGRS-UHFFFAOYSA-N 439.821 5.078 30 20 IKED Fc1ccc([C@H](CC(F)(F)F)NCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc1 511940628 GYRHBJOYKZFYOI-SFHVURJKSA-N 431.355 5.814 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1 512964481 QPFLSIXKLHXDNZ-IBGZPJMESA-N 440.459 5.498 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)n1 516344875 KBEVRBVPDSPMEB-KRWDZBQOSA-N 444.434 5.496 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H]3Cc3ccccc3Cl)s2)cc1 517712695 JQNPELSQLLQZOS-LJQANCHMSA-N 436.968 5.498 30 20 IKED Cc1cccc(CN(Cc2ccccn2)C(=O)c2ccc(COc3ccccc3C#N)o2)c1 517803508 QFDQFWYIYNTBKN-UHFFFAOYSA-N 437.499 5.276 30 20 IKED N#C[C@@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc(Cl)cc2)CCC3)CCO1 517985024 DUQAAFOMMJUBRO-BKHFDQEPSA-N 443.934 5.130 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(Cl)c2c(c1)OCO2 518146655 BIKNZLTVMKZKDZ-ZDUSSCGKSA-N 434.970 5.335 30 20 IKED COc1cccc(Oc2ccc(CNC(=O)Nc3ccccc3S[C@@H](C)CC#N)cn2)c1 518260350 YROGYOXUXRWFNN-KRWDZBQOSA-N 448.548 5.598 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](COc1ccccc1F)c1ccccc1 518683169 KQDCHNDODXICQD-XMSQKQJNSA-N 449.551 6.019 30 20 IKED Cc1c(C(=O)Nc2sc(-c3ccccc3)cc2C#N)nnn1-c1ccc(F)c(Cl)c1 520874345 ACQRZXCUQRMLTC-UHFFFAOYSA-N 437.887 5.221 30 20 IKED Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3S[C@H](C)CC#N)C2)c1 520924495 ZDGLYVCUTGJOLB-UXHICEINSA-N 435.593 5.189 30 20 IKED CC(=O)CCc1ccc(OCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 521612961 IRNFBEOMMRASKU-DEOSSOPVSA-N 446.934 5.535 30 20 IKED COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)N(CCC#N)C(C)C)s1 522584286 OEPKUTDAZASCOW-UHFFFAOYSA-N 434.565 5.255 30 20 IKED Cn1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(Cl)c2ccccc21 524497372 MCRUYGIOZBWIOB-UHFFFAOYSA-N 433.870 5.674 30 20 IKED N#Cc1c(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)sc2c1CCC2 525003039 JMGAMUKPXBLBTE-UHFFFAOYSA-N 430.316 5.855 30 20 IKED C=C(C)[C@H](CC(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1)OCC 534390607 FOQUUABBTFCHOX-NRFANRHFSA-N 440.927 5.884 30 20 IKED C[C@@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 537905943 LTHBQOXUEDMFFT-SFHVURJKSA-N 433.483 5.295 30 20 IKED C=CCN(C(=O)c1csc(-c2cccc3ccccc23)n1)c1nc(C(=O)OCC)cs1 538654223 GRCKBPRHAPJCFZ-UHFFFAOYSA-N 449.557 5.429 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)n2)c(F)c1 543856214 CPUHPGBLBRKAEH-UHFFFAOYSA-N 439.475 5.158 30 20 IKED C[C@@H](NC(=O)N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)c1ccc(C#N)cc1 548183340 XNFSBZRPSOFJPZ-BZNIZROVSA-N 431.336 5.121 30 20 IKED COc1ccc2ccccc2c1-c1cc(CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)on1 552430786 DZZBCAVPTWRCCW-UHFFFAOYSA-N 443.478 5.108 30 20 IKED N#CC1(c2ccccn2)CCN(c2ncnc3cc(-c4ccc(Cl)cc4)sc23)CC1 554522277 ACJSYCGRSXWVSR-UHFFFAOYSA-N 431.952 5.468 30 20 IKED Cc1c(COc2ccccc2)cccc1NC(=O)C(=O)N[C@@H](CCCC#N)c1ccccc1 556625083 SKCQUVODVCHSRX-VWLOTQADSA-N 441.531 5.064 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CCOC(c1ccccc1)c1ccccc1 558754325 DTDXAHLVZUHOGX-UHFFFAOYSA-N 428.919 5.641 30 20 IKED COc1ccccc1-c1cccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 562209243 QPJRWZCVIPSUJZ-UHFFFAOYSA-N 427.504 5.309 30 20 IKED CCNc1ccc(C#N)cc1NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 566730516 ODQDDLWNHZDKNM-UHFFFAOYSA-N 430.455 5.314 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cc1csc(-c2ccc(OCC)cc2)n1 574226766 FWFKXVDZKQIZLF-UHFFFAOYSA-N 438.597 5.134 30 20 IKED CC(C)(C)C(=O)NCc1ccc(C(=O)N(Cc2ccccc2)c2ccccc2C#N)cc1 577033039 ZCRJBIUFAVIYLA-UHFFFAOYSA-N 425.532 5.068 30 20 IKED CC[C@H]1c2ccsc2CCN1C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 578812513 HFGMZKHBQHAXOV-IBGZPJMESA-N 428.001 5.416 30 20 IKED COc1cc(CNc2ccc(Oc3ccnc(C#N)c3)cc2)ccc1OCC(F)(F)F 580132280 WNZHUMZDTWEHHG-UHFFFAOYSA-N 429.398 5.307 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 581342100 WJPNMCUFMFHPRI-DZGCQCFKSA-N 448.375 5.379 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 583173974 RYLMKCODWIOCED-VQTJNVASSA-N 439.441 5.195 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)NC1(c2ccc(F)cc2)CCCC1 590855281 QMYZDYBCDHSWQX-ZIAGYGMSSA-N 440.403 5.804 30 20 IKED CCOc1ccc(C(=O)CCC(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1OCC 597791744 KNWDAIRXSCNKSR-GOSISDBHSA-N 449.334 5.135 30 20 IKED CCOc1ccc(C(=O)CCC(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1OCC 597791745 KNWDAIRXSCNKSR-SFHVURJKSA-N 449.334 5.135 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1Cl 603765978 HGTKFCMJHUIILL-AVIGSNJUSA-N 434.967 5.655 30 20 IKED CSCc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 603838340 HAFNCZPUIBYIHP-INIZCTEOSA-N 433.385 6.470 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2c(F)cc(F)cc2F)n(Cc2ccccc2)c1C 603939028 NAGPINIYSDTLPN-UHFFFAOYSA-N 429.467 5.173 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2nc(C(C)(C)C)cs2)cc1 609208229 KEWSPBFCAQVUBU-UHFFFAOYSA-N 436.537 5.435 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3OCc3cccs3)cn2)cc1 609326877 VJZMLLMGPZOQPB-UHFFFAOYSA-N 427.485 5.638 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1C[C@H]1c1cccc(Br)c1 609438497 IBYZWALSTLHNFG-SKDZVZGDSA-N 430.371 5.521 30 20 IKED CC(C)C[C@@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)N[C@H](C)c1ccccc1 609549916 QBKQHFXKOVGFAS-YKSBVNFPSA-N 442.563 5.241 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCc2coc(-c3cccs3)n2)c1 609722918 OLOARKRSAUFICF-UHFFFAOYSA-N 435.892 5.650 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCC1(c2ccccc2Br)CC1 610167280 YUXZLGCMYAGNII-HNNXBMFYSA-N 444.398 5.554 30 20 IKED N#Cc1cccc(COc2cccc(CNc3ccc(-c4nnc5n4CCCC5)cc3)c2)c1 610910811 LLKNOBTVIUFCHQ-UHFFFAOYSA-N 435.531 5.344 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](Cc4ccncc4)C3)cc2Cl)cc1 611814528 KCZPJTGJTHOYPQ-LJQANCHMSA-N 432.911 5.495 30 20 IKED COc1cccc(COc2cccc(NC(=O)N[C@H]3CCc4cc(C#N)ccc43)c2C)c1 618762955 XUMNWDHQGRVOPN-DEOSSOPVSA-N 427.504 5.263 30 20 IKED N#C[C@H](C(=O)c1cnn(Cc2ccccc2)c1)c1nc2cc(C(F)(F)F)ccc2s1 642282186 RNFHRIKKYSFRQW-MRXNPFEDSA-N 426.423 5.050 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(Cl)ccc1OC(F)F 673987859 COQQMHVSVDOUGI-MBTKJCJQSA-N 439.730 5.581 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccc(Cl)c(Cl)c3)n2)cc1 726324611 DIPVVOIVRJSWAK-MRXNPFEDSA-N 431.344 5.935 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)sc1-c1cccc(Cl)c1 726733015 OKDVIILTQCBMPA-OAHLLOKOSA-N 429.328 5.992 30 20 IKED COc1cc(/C=C/C(=O)c2sc(-c3ccccc3)nc2C)cc(Br)c1O 727780155 IHOYLEFUUWWVNM-CMDGGOBGSA-N 430.323 5.491 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 731064856 YWRMZKJAKMKGOZ-MRXNPFEDSA-N 447.560 5.094 30 20 IKED CSCCCN1C(=O)/C(=C\c2cccc(OCc3ccccc3C#N)c2)SC1=S 731371797 MNWSEUCGEOCVLP-DEDYPNTBSA-N 440.615 5.092 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1COc1ccc(Cl)cc1 731400750 SYCXZMGTUURHAX-SJLPKXTDSA-N 429.973 5.810 30 20 IKED C#CCN(C(=O)Nc1cccc([C@@H](C)OC)c1)[C@H]1CCOc2ccc(Br)cc21 733632028 NPYFHDVITAKFDP-QRWLVFNGSA-N 443.341 5.147 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 733893963 QFJQAQOVUABQMB-UHFFFAOYSA-N 445.522 5.884 30 20 IKED C=CC[C@@H](NC(=O)c1ccc(COc2ccc(Br)cc2)o1)c1ccncc1 734360292 HXEVLVXIZCXTPF-LJQANCHMSA-N 427.298 5.063 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@H](C)c3cccc(C(F)(F)F)c3)n2)cc1 739159240 JHYQDRWWXSOIDU-LIRRHRJNSA-N 444.478 6.208 30 20 IKED CCOC(=O)N(C)c1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 740445703 YAFURZZTIOINIU-UHFFFAOYSA-N 434.521 5.201 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccccc1OCC(F)(F)F 741759200 ZSJGBYFTCQYKTR-UHFFFAOYSA-N 443.450 5.257 30 20 IKED C[C@@H](c1ccc(Cl)cc1)N(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C1CC1 743097868 YASRINHMHNSYCK-BVZFJXPGSA-N 429.951 6.753 30 20 IKED CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1 743216570 VIIRAEDSSZENMM-UHFFFAOYSA-N 442.441 5.470 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1nc(Cc2ccccc2)no1 743473056 AAIIYQUGFFTUFI-QGZVFWFLSA-N 444.922 5.938 30 20 IKED N#Cc1ccccc1N1CCC(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CC1 747335847 JBYBCHAEPZMCFF-UHFFFAOYSA-N 449.476 5.643 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)cc1 755774550 DDJBSOHINKMBNQ-SFTDATJTSA-N 432.474 5.021 30 20 IKED O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1cn(-c2ccccc2)nn1 759120421 HOOKGCBZZCCERQ-BUHFOSPRSA-N 428.879 5.069 30 20 IKED Cc1ccc(C(=O)CC(C)(C)CC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 760200723 APAYNVLTLXWALH-OAQYLSRUSA-N 441.556 5.856 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(Br)c(Cl)c1 763480482 XERVTUDSGBTAOB-OAHLLOKOSA-N 433.733 5.188 30 20 IKED CCCC[C@H](ON=C(C)C)C(=O)O[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 767751717 QMHWPNOEXMMTBA-WBMJQRKESA-N 428.316 5.619 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCOc3cc4c(cc3C2=O)CCC4)cs1 768500557 QEGXMBYZCOUMHF-NDENLUEZSA-N 444.556 5.674 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(N2CCC(N(C)C)CC2)cc1 775504577 ALIYAIPVDCCXOF-UHFFFAOYSA-N 447.501 5.053 30 20 IKED N#C[C@@H](C(=O)CCCCC(=O)c1ccc(F)cc1)c1nc(-c2c(F)cccc2F)cs1 778619034 DXOLUQJFTOBVTQ-INIZCTEOSA-N 442.462 5.847 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ncc(Cl)nc1Cl 779370037 HCGWJGJMFWUGEE-UHFFFAOYSA-N 442.759 5.086 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 780167459 XECUUNZAMWHECY-ZDUSSCGKSA-N 441.318 5.211 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3ccccc3O[C@H](C)C#N)c2)cc1 780176618 MBUZACHQPIIGIY-HXUWFJFHSA-N 442.515 5.330 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 781352288 WIIGNTOKEFSJGR-OAQYLSRUSA-N 449.551 5.064 30 20 IKED COc1ccc(C[C@H](C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC 781447499 JBIVBROBMAIHMN-SWLSCSKDSA-N 448.466 5.387 30 20 IKED O=C1/C(=C\c2ccc3cnccc3c2)CC2(CCOCC2)C/C1=C\c1ccc2cnccc2c1 782341453 JXEWNVLPKKUZKE-XFPKHNAPSA-N 446.550 6.410 30 20 IKED CC[C@H](Cc1ccccc1)N(CC)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 785028428 OVXXGJNBNVGEEN-CLJLJLNGSA-N 439.559 5.150 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2nc(-c3ccccc3F)cs2)cc1 785679634 WPGMANSRFAQGKA-NRFANRHFSA-N 442.519 5.926 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@@H](c2cccc(Br)c2)C2CCOCC2)c1 786581658 VJSWVQKIDAEGAD-FYYLOGMGSA-N 443.385 5.388 30 20 IKED O=C(C[C@H]1SC(=Nc2ccsc2)N(CCCF)C1=O)Nc1cccc2ccccc12 790724458 QCBOHMSPVLZXOS-LJQANCHMSA-N 441.553 5.221 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3CCOc4c3ccc(Cl)c4Cl)cc2)nc1 792695570 UCCCHPBJKRXSAP-SFHVURJKSA-N 440.286 5.306 30 20 IKED Cc1cc([C@@H](OC(=O)c2ccccc2OCC#N)C(F)(F)F)ccc1Br 792779661 AGVSSLCISCTZNK-MRXNPFEDSA-N 428.204 5.120 30 20 IKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(CC(F)(F)F)C2=O)cc1 799214773 FIUYMJZIHZTKPM-GOSISDBHSA-N 449.498 5.134 30 20 IKED CC(C)(C)OC(=O)N1CCN(CCCC2(C#N)CCOCC2)[C@@H](c2cccc(Cl)c2)C1 801556407 LGMLWSPOKWKGKF-OAQYLSRUSA-N 448.007 5.034 30 20 IKED Cc1c(Cl)cccc1-n1c(Sc2nc(Cl)c(C#N)s2)nnc1-c1ccncc1 804337837 BSWJTHANHDEZEU-UHFFFAOYSA-N 445.360 5.424 30 20 IKED Cc1ccccc1[C@H](O)C1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 804518387 XNKVOWQSNNZBKM-AREMUKBSSA-N 426.516 5.245 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)cc1 806201031 ROZYCDYWYSRWLP-FGZHOGPDSA-N 439.437 5.216 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Br)c(F)c3)n2)cc1 810549184 ITPYTZRQQIFDQG-OAHLLOKOSA-N 440.297 5.002 30 20 IKED C=CCOc1c(Cl)cc(CNc2cc(C(=O)N(C)C(C)C)ccc2Cl)cc1OC 864003264 GRVYBQIKQNZHCH-UHFFFAOYSA-N 437.367 5.659 30 20 IKED O=C(c1ccc(OC(F)F)c(Cl)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 883978921 XZICSMIHGVRDHX-IUCAKERBSA-N 425.703 5.144 30 20 IKED COc1ccccc1N=C1SCCN1C(=O)c1sc(Cc2ccc(F)cc2)nc1C 915132565 CJGWZMMADNTBOI-UHFFFAOYSA-N 441.553 5.067 30 20 IKED CCN(c1ccccc1)S(=O)(=O)c1ccc(NN=C(C)c2oc3ccccc3c2C)nc1 916354636 HASOXKNWMITJKO-UHFFFAOYSA-N 448.548 5.188 30 20 IKED Cc1csc([C@@H](C#N)C(=O)[C@@H](Oc2ccc(Br)cc2)c2ccccc2)n1 916844214 YQPFWWXKXORDLW-HKUYNNGSSA-N 427.323 5.211 30 20 IKED N#C[C@H](C(=O)CSCc1cccc(Cl)c1)c1nc(O)c2c3c(sc2n1)CCCC3 916845805 NTQGDFJZFRDXSQ-OAHLLOKOSA-N 443.981 5.039 30 20 IKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)ccc1OC1CCCC1 916917200 ARTUWTNJWOJAEV-OAQYLSRUSA-N 428.488 5.131 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)COC(c2ccccc2)c2ccccc2)cc1 916954199 GHTRPMXRQZVDMN-NBGIEHNGSA-N 440.543 5.654 30 20 IKED N#C[C@H](C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1nc2cc(Cl)ccc2s1 917047067 QEIRXVGCCKZBHZ-PMZIWESGSA-N 449.801 5.860 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NN=C2c3ccccc3-c3ccccc32)cs1 917541446 ZNABTRKVJQFQMW-UHFFFAOYSA-N 436.540 5.988 30 20 IKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1csc(-c2ccsc2)n1 920365301 RLUWALUAVAZQIR-UHFFFAOYSA-N 433.587 5.378 30 20 IKED Cc1cc2cccc(C(=O)NC3(c4ccc(NC(=O)[C@H](S)C(C)C)cc4)CCC3)c2[nH]1 1786393978 PSKXTBCBQLRDCI-JOCHJYFZSA-N 435.593 5.178 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5cc[nH]c45)cc3)CCC2)cc1 1789094134 YSKWJUJXNKTEBA-UHFFFAOYSA-N 448.526 5.295 30 20 IKED Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)o1 1792126780 KUZKAHZQEPIWQA-GOSISDBHSA-N 441.531 5.206 30 20 IKED CC(C)CC(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792168414 XGMMJHNTWQWYFB-UHFFFAOYSA-N 433.552 5.139 30 20 IKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(C(F)(F)F)c1C)C2 1793053660 DHKGFSZCJYTBEY-REPLKXPHSA-N 434.502 5.034 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C(F)(F)F)c1F 1800412601 PWGNBJKOCKLVMC-MUJYYYPQSA-N 440.481 5.089 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3ccncc3-c3cccc(C)c3)C2)CC1 1810343004 FGTFZLMPAMCHEW-JOCHJYFZSA-N 445.607 5.114 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3[nH]ccc3s2)n[nH]1 1818789545 XUZVFZOCVLLOTN-CRAIPNDOSA-N 437.569 5.027 30 20 IKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC(C)(C)C)[nH]n1)c1ccccc1 1819518460 QZGJVYNXVOBKMH-UNMCSNQZSA-N 434.584 5.035 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccccc3n2C)[nH]n1 1819554855 RNSRWSBUHMHXPR-OAQYLSRUSA-N 447.583 5.200 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C(C)=C/c1ccc(C)o1)CC2 1820100294 QPJFVRZSNWAZLM-GSPCDJLXSA-N 441.597 5.052 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(OCC)c2)n[nH]1 1820648615 UMUBHPAWZKRNEQ-OAQYLSRUSA-N 438.572 5.107 30 20 IKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CC[C@H](CCC)CC2)n[nH]1)C(F)(F)F 1822100308 AYSILWDTOXPKNH-JFIYKMOQSA-N 440.510 5.127 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1 1823753602 VAABJCXAZJPFIC-ZJSXRUAMSA-N 440.628 5.066 30 20 IKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(C)(C)C)oc2C)CC1 1825949724 RJXIACHXVYZMMX-OAQYLSRUSA-N 446.657 5.038 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc(C)cc(F)c2)CC1 1828829837 ISUNSEOSORFWRR-LOSJGSFVSA-N 440.603 5.065 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc3c(c2)CCCC3)cc1 14872476 NCWREBCULKCUDC-UHFFFAOYSA-O 447.599 5.914 30 20 IKED C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 16775131 DKXHNMKGTLKQSJ-AWEZNQCLSA-N 449.923 5.172 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(NC3CCCCC3)s2)cc1 23393043 LBQIOIMRGYAEJD-INIZCTEOSA-N 429.615 5.019 30 20 IKED C=CCN(C(=O)CCc1c(C)nn(C)c1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 58476431 QPHWBDMFCYNEAF-UHFFFAOYSA-N 449.407 5.619 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 63644496 YTYMWUARBYRYFI-UHFFFAOYSA-N 441.556 5.011 30 20 IKED Cc1cc(C)n(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2)n1 64714385 YAVPMQLKBOIYKL-QGZVFWFLSA-N 434.471 5.381 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(OCC(F)(F)F)nc1 107590892 OPANYCGLRBVZBR-UHFFFAOYSA-N 429.423 5.298 30 20 IKED C=CCn1c(SCC(=O)c2ccc(C(C)(C)C)cc2)nnc1[C@H]1COc2ccccc2O1 115027452 MGLJFDMWTDXKSS-JOCHJYFZSA-N 449.576 5.249 30 20 IKED COc1ccc(CN[C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)cc1OCCCC#N 237298209 HBSYVEHWORCRQT-INIZCTEOSA-N 439.556 5.800 30 20 IKED C[C@@H]1CCc2c(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)csc2C1 255950387 YPIQYLLSSBLOOJ-GFCCVEGCSA-N 426.592 5.141 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1ccccc1OC(F)(F)F 303423605 ZAJKJVDJYJTOHY-OAHLLOKOSA-N 437.487 5.050 30 20 IKED C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N[C@H](CCCC#N)c1ccccc1 431451299 IRLDSDXCSKXHAP-MGPUTAFESA-N 432.337 5.254 30 20 IKED C=C(C)CN1CCC(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C(C)C)CC1 431642032 YWLRWXCEVLYUED-UHFFFAOYSA-N 436.383 5.542 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccccc1 432695760 NECPPSRYOHNABZ-MRXNPFEDSA-N 425.838 5.838 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)Cc2ccccc2O1 432786721 DPEUOXAENFHJEN-QGZVFWFLSA-N 431.467 5.091 30 20 IKED COc1ccccc1-c1noc(C2CCN(c3c(C#N)cnc4c(C)cc(C)cc34)CC2)n1 432846919 QSTNJUUETROPFL-UHFFFAOYSA-N 439.519 5.166 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCCC(C)(C)[C@H]2C#N)c(OC)c1 434028685 WPHRMPKQFZIDOL-XMMPIXPASA-N 445.563 5.325 30 20 IKED N#CCC[C@@H](NC(=O)CCc1nc2cc(Br)ccc2s1)c1ccccc1 439675733 UBQKTZJHXPXFID-MRXNPFEDSA-N 428.355 5.153 30 20 IKED CCCc1c(NC(=O)c2cccc(-c3csc(C)n3)c2)cnn1-c1cccc(C#N)c1 440065372 AQKYXURXCKCFNC-UHFFFAOYSA-N 427.533 5.381 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NCC1CCC(C#N)CC1 441148809 UKPZEXAFCZXUKR-UHFFFAOYSA-N 433.936 5.161 30 20 IKED CC(C)c1nn(C)c2sc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc12 442812456 RIMIZYGUIAIZLJ-LBPRGKRZSA-N 442.516 5.650 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 446517750 KEZZAQIGTSNFPI-UHFFFAOYSA-N 442.915 5.010 30 20 IKED N#C[C@@H](C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1cc(C(F)(F)F)ccn1 464430209 RKQLDNBNSIDBMY-GOSISDBHSA-N 441.365 5.078 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)NCc2ccccc2COc2ccccc2Cl)cc1 466041827 SAGURPBRKHCOJT-UHFFFAOYSA-N 449.938 5.157 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCCc3sccc32)cc1Cl 467876876 PIHRZBHJNDKRCK-FPOVZHCZSA-N 449.963 5.189 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N(CCC(F)(F)F)CC(F)(F)F)cc1 468544062 TXICCLQDVZHXEE-UHFFFAOYSA-N 430.348 5.094 30 20 IKED C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C 469605312 RMVRHKHGXZZCKI-XGWLTEMNSA-N 435.387 5.039 30 20 IKED C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 469961012 DNAQKLXDMAGTLO-INIZCTEOSA-N 444.362 5.166 30 20 IKED C=CCOc1ccccc1C(=O)N1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 470401556 UCILJXRYFXCDNS-SFHVURJKSA-N 434.561 5.403 30 20 IKED CC1(C)CC[C@H](CNC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2ccccc21 470528475 AXIAVTAXJCIPBE-HXUWFJFHSA-N 444.579 5.246 30 20 IKED CC(C)c1ccc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 470546099 JZILNEIEOFMVCE-DEOSSOPVSA-N 444.579 5.762 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)cc1C 470560527 LIDWMRFJMWJGOU-CQSZACIVSA-N 447.486 5.047 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3nnc(-c4ccccc4)s3)cc2)cc1 470794746 CWEQCJCFQIDWPL-UHFFFAOYSA-N 427.489 5.191 30 20 IKED CCN(Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1)[C@@H](C)c1ccc(C#N)cc1 470964718 AMRUWUQZEFVEBV-IBGZPJMESA-N 432.593 5.396 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1 471332684 QQBAWRXDIKQDFP-NRFANRHFSA-N 445.485 5.371 30 20 IKED COc1c(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)oc2ccccc12 473707481 WCXDFIQHGPJZHX-UHFFFAOYSA-N 441.487 5.408 30 20 IKED O=C(COc1ccc(F)cc1F)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 474260293 RTEKNZAMZVTEEM-AWEZNQCLSA-N 427.291 5.172 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H](Nc2ccccc2)C1 478668236 MLGHSSBHOXSUEI-DEOSSOPVSA-N 440.547 5.554 30 20 IKED N#Cc1cc(Cl)ccc1CSc1nnc(-c2cnccn2)n1-c1ccc(Cl)cc1 479129410 PRCRSCXSYROFGO-UHFFFAOYSA-N 439.331 5.195 30 20 IKED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1 481365436 AZBRAETYZFGMGB-MRXNPFEDSA-N 444.988 5.145 30 20 IKED C=CCN(C(=O)C[C@H](CC#N)c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 483100883 UJHXVNPFSWZOMV-IBGZPJMESA-N 432.505 5.325 30 20 IKED CCc1c(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cnn1C(CC)CC 484170055 DBPYFDSUWSQKKK-UHFFFAOYSA-N 444.539 5.575 30 20 IKED C=CCN(CC1CCCCC1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 484996546 QEABQAOVHLFZGZ-UHFFFAOYSA-N 449.473 6.151 30 20 IKED C=CCN(CCc1ccccc1)C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 485411944 ZFZDJOFZSADRLQ-UHFFFAOYSA-N 440.609 5.197 30 20 IKED CC(=O)c1ccc(C(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1 486154366 HAAALISKOAWDBT-ZDUSSCGKSA-N 447.253 5.553 30 20 IKED C[C@@H](Sc1nnc(-c2cc3ccccc3o2)o1)C(=O)Nc1sc2c(c1C#N)CCC2 489682645 PRYJIKSJXBBTEP-LLVKDONJSA-N 436.518 5.024 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)NCC3(C(F)(F)F)CC3)s2)c(C(F)(F)F)c1 496350854 VECLNUYYFJDTAD-UHFFFAOYSA-N 448.392 5.088 30 20 IKED Cc1nncn1-c1cccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 497399022 LELVSUDLOADOKA-UHFFFAOYSA-N 429.867 5.145 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(-c2cc(OC)c(OC)c(OC)c2)no1 504242190 ZKRHSBATTHENHA-UHFFFAOYSA-N 436.386 5.013 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 506734100 UPBVEQJWDDKZCI-MRXNPFEDSA-N 444.362 5.285 30 20 IKED CCN(C(=O)Cc1ccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1)c1ccccc1 507170236 MOSLJKWQAJYNDC-UHFFFAOYSA-N 443.522 5.209 30 20 IKED Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2nc3cc(Cl)ccc3s2)CC1 508154056 DPXGDHWPXOAABR-UHFFFAOYSA-N 434.956 5.001 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@]2(CCCOC2)C1 508476828 HOLISDJBIJRHQC-FNZWTVRRSA-N 432.568 5.154 30 20 IKED CCOc1ccc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 510007769 XCDUCCQNXFNLJI-QHCPKHFHSA-N 433.939 6.058 30 20 IKED N#Cc1ccc(CN[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c(Br)c1 510459524 SKKQMEYFZZJWHS-OAHLLOKOSA-N 435.190 5.315 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC([C@H](F)c2ccccc2F)CC1 511111707 YWNYSODZNIUQRV-OSPHWJPCSA-N 443.563 5.581 30 20 IKED CCOc1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1OC 511417525 YFCASKGJCSBLTA-UHFFFAOYSA-N 445.519 5.061 30 20 IKED N#Cc1ccc(Cl)c(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)c1 511727844 SQJPESLMXVNOJQ-UHFFFAOYSA-N 430.895 5.054 30 20 IKED Cc1cccc(OC(F)F)c1NC(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 512840439 WMIKAHKEKBVXDC-CQSZACIVSA-N 440.315 5.623 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(CNC(=O)c2cccs2)cc1 514429335 OVMWSZFUCPNFMJ-UHFFFAOYSA-N 430.982 5.221 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 515186411 YZICZVBVDAJDRZ-RTBURBONSA-N 440.490 5.533 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4c(s3)-c3ccccc3CC4)n2)cc1 516270381 VSAXJLAIBVVUCS-HXUWFJFHSA-N 437.549 5.999 30 20 IKED N#Cc1cccc(COc2cccc(CNCC3(c4ccc(F)cc4)CCOCC3)c2)c1 518263212 DFQNGOJKELYDGY-UHFFFAOYSA-N 430.523 5.114 30 20 IKED C=CCN(C(=O)c1csc(-c2ccoc2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 519396441 IQCUIWAHQFLXHK-UHFFFAOYSA-N 438.490 5.268 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4c[nH]c5ccccc45)CC3)cc2)cc1 519988072 DAYMJXPTQZFXNU-UHFFFAOYSA-N 436.515 6.243 30 20 IKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c12 521327252 ZKVMRJKYZMWAOI-OAHLLOKOSA-N 446.532 6.253 30 20 IKED Cc1cccc(-n2ncc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c2C(F)(F)F)c1 521733252 CBDYWEWLKSUWNW-OAHLLOKOSA-N 444.482 5.704 30 20 IKED CN(CCC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 523323637 WJFVRWAUFGIACR-OBGWFSINSA-N 426.476 5.006 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2CCCOc3ccc(F)cc32)cc1 523614229 FJOPEZUIHIZFMJ-XMMPIXPASA-N 447.485 5.462 30 20 IKED CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 524985574 ROXAUDIKYJBTGC-UHFFFAOYSA-N 427.504 5.217 30 20 IKED COc1ccc(Oc2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cn2)cc1 525078753 AMATVIAMQNWTPF-UHFFFAOYSA-N 441.443 5.178 30 20 IKED COc1ccccc1COc1cccc(NC(=O)CSCc2ccc(C#N)cc2)c1C 533998885 QYHVPNIWXRAOMO-UHFFFAOYSA-N 432.545 5.326 30 20 IKED COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NCc2nnc(-c3ccc(C#N)cc3)o2)c1 537157816 YWUQZRAHKFGIDB-RUZDIDTESA-N 438.531 5.307 30 20 IKED COc1cccc([C@H](Cc2cc(C)cc(C)c2)NCc2nnc(-c3cccc(C#N)c3)o2)c1 538261229 PJQRGSRUOMRTFN-VWLOTQADSA-N 438.531 5.307 30 20 IKED COc1cc([C@H](C#N)NC(=O)c2ccc(-c3cccc(C(C)C)c3)o2)cc(OC)c1OC 538432566 SNDRMRWXVFHYOB-IBGZPJMESA-N 434.492 5.090 30 20 IKED N#CCCn1cc(CNc2nnc(Cc3ccc4ccccc4c3)o2)c(-c2ccccc2)n1 539693339 GBYVBZCEJRPKGH-UHFFFAOYSA-N 434.503 5.203 30 20 IKED CCCCSc1ccc([N+](=O)[O-])cc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 540779553 NWBRSTWUZRELBA-HNNXBMFYSA-N 444.463 5.722 30 20 IKED Fc1ccc(-c2nc(CN[C@@H](c3ccc(OC(F)(F)F)cc3)C(F)(F)F)co2)cc1 541088484 FRKQWXSOLWHBOD-INIZCTEOSA-N 434.311 5.773 30 20 IKED O=C(CCc1ccncc1)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 541240631 OTZCAMTZJMLNBB-HNNXBMFYSA-N 444.297 5.472 30 20 IKED CC(=O)CCc1ccc(OCC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 542930080 LTHLUIJGHTVNKU-FQEVSTJZSA-N 426.516 5.003 30 20 IKED CCC(C)(C)OCc1ccccc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 543648088 YRBJCQMZBNDULW-UHFFFAOYSA-N 434.584 5.003 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 544302415 CHEPMYHQEAVWQT-GOSISDBHSA-N 435.549 5.440 30 20 IKED C=C(C)Cn1c(SCc2nc(Cc3c[nH]c4c(C)cccc34)no2)nnc1-c1ccco1 544969213 HWEGTKOFJWAMBP-UHFFFAOYSA-N 446.536 5.170 30 20 IKED C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@H]([C@@H]2CCOC2)C1 549265036 ZXRHYFZMTXYOBO-LEWJYISDSA-N 449.624 5.206 30 20 IKED CCCOc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 551479558 ZXCSYOPTZBLSBX-UHFFFAOYSA-N 443.503 5.444 30 20 IKED O=C(Nc1cc(F)cc(NC(=O)c2c[nH]c(C(F)(F)F)c2)c1)c1c[nH]c(C(F)(F)F)c1 557280737 UOCPXKNKTBDBOP-UHFFFAOYSA-N 448.298 5.024 30 20 IKED N#Cc1ccc(CNc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)c(C(F)(F)F)c1 559348177 XTUYWQWMFANKPO-UHFFFAOYSA-N 435.449 5.321 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](C)Cc2cnc3ccccc3n2)cc1 565723477 YXZBUDYKNLZVPW-KRWDZBQOSA-N 438.487 5.120 30 20 IKED COc1ccc(C[C@@H](C)CN(C)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 566827010 QSKIMMDOLMFKGX-GOSISDBHSA-N 430.508 5.097 30 20 IKED N#CCCn1cc(CNCc2ccccc2Oc2cccc(F)c2)c(-c2ccncc2)n1 572462394 DRLYTUHAZYUSGA-UHFFFAOYSA-N 427.483 5.080 30 20 IKED N#C[C@H](C(=O)c1ccnc2ccncc12)c1nc(-c2ccc(Cl)cc2Cl)cs1 573852933 QSQZUUYWCVCHST-CQSZACIVSA-N 425.300 5.550 30 20 IKED N#CCCC[C@@H](NC(=O)C(=O)Nc1ccccc1Oc1ccc(Cl)cc1)c1ccccc1 582137204 ADBZXICSKMBEMU-OAQYLSRUSA-N 447.922 5.622 30 20 IKED COC(=O)c1scc(-c2ccc(C)cc2)c1NC(=O)c1cc2ccccc2n1CC#N 589040797 DNVMAYWJYKMGIC-UHFFFAOYSA-N 429.501 5.241 30 20 IKED O=C(C[C@H](c1ccccc1)C(F)(F)F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590663571 UFCJCMFVKPOGSZ-YRGRVCCFSA-N 435.330 5.748 30 20 IKED Cc1cc(N2CCCC2)ccc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 602093760 PMUFZZUOYZZVBQ-UHFFFAOYSA-N 427.573 6.012 30 20 IKED CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603691396 FWVGYNBJOPQJRS-UHFFFAOYSA-N 427.291 5.716 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 603815943 FEURZRNOVRVKPZ-HXUWFJFHSA-N 428.536 5.215 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(COc4ccccc4)CC3)cn2)cc1 604362088 GYCAFKXOSLVCOJ-UHFFFAOYSA-N 428.492 5.068 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)c1 608811335 KVXKZSJKJMCIDH-UHFFFAOYSA-N 425.488 5.231 30 20 IKED N#Cc1c(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)sc2c1CCC2 609018810 RHPLRWVOEZSKQO-UHFFFAOYSA-N 444.491 5.580 30 20 IKED CC(C)c1noc(-c2ccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cc2)n1 609061770 XLHDWJSOJSJGOU-UHFFFAOYSA-N 428.448 5.156 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(F)c(F)c(F)c3F)cc2Cl)c1 609062991 NENXWBLQSRRGJR-UHFFFAOYSA-N 434.776 5.599 30 20 IKED C[C@H](NC(=O)c1cc2ccccc2n1CC#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 609165565 SBBKIBDQJSSJJT-KRWDZBQOSA-N 440.478 5.047 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc2c(c1)CCC2 609378801 BJBXOSREQMCLHZ-UHFFFAOYSA-N 426.485 5.001 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 609426734 PQHXMNHPVYKNQJ-AWEZNQCLSA-N 437.546 5.085 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)cc2)nc1 609498569 NJAOEKVNYCOOQM-SANMLTNESA-N 431.495 5.533 30 20 IKED N#CCCN(C(=O)c1sc2cccc(Cl)c2c1Cl)c1ccc2c(c1)OCCO2 609569478 YMIQFCKCMHWSQQ-UHFFFAOYSA-N 433.316 5.540 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)c1csc(-c2ccc(Br)s2)n1 609969054 JUUFNKWGQOQSAO-UHFFFAOYSA-N 435.372 5.315 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(C3CCCC3)CC2)cc1Cl 610016029 ZTTHXABQBSIASJ-HSZRJFAPSA-N 436.987 5.478 30 20 IKED CC(C)(C)CC(=O)Nc1ccc(CC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 610167943 FBUPCWFIBQJPJD-UHFFFAOYSA-N 432.549 5.238 30 20 IKED C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 670223448 KDUCANXWWAKMFW-SFHVURJKSA-N 447.514 5.098 30 20 IKED C=C(C)[C@@H](NC(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1)c1ccc(F)c(F)c1 681536048 NBQAXGGJKMCDIW-OAQYLSRUSA-N 438.478 5.221 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OC)c(Cl)c2)[n+]2cccc(C)c2)c1 726572658 HRRRIFFSJHJAOS-UHFFFAOYSA-O 435.956 5.249 30 20 IKED C=CCN(C(=O)CCCN(C)C(=O)OC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 729651234 GOSISPKPBVQOPQ-UHFFFAOYSA-N 442.368 5.114 30 20 IKED COc1ccc(-c2cc(C(=O)N(CCC#N)CC(C)(C)C)c3ccccc3n2)cc1OC 731837779 BOIRNIYRZFPUKH-UHFFFAOYSA-N 431.536 5.321 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cccc(C#Cc3ccccc3)c2)ccc1OC 733618679 JTKLMFYPXNPKIF-XMMPIXPASA-N 439.515 5.098 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC(c2cccs2)c2cccs2)cc1 738897919 WXUGMWIUDNCJKG-HXUWFJFHSA-N 429.570 6.376 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccoc2)n1)c1nc(-c2ccc(Cl)cc2)cs1 739156455 OJQDQXMRYMHVJH-INIZCTEOSA-N 425.922 5.599 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)cc1 741431878 UNGOJYIACAVBIA-XUVXKRRUSA-N 444.453 5.379 30 20 IKED C=CCOc1ccc(/C=C/C(=O)NCCc2nc(-c3ccccc3)c(C)s2)cc1OC 742184033 YFEWUQMBNNAYCX-ACCUITESSA-N 434.561 5.064 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)cc2)nn1 743191150 CVGSFHDSHXDODE-UHFFFAOYSA-N 441.516 5.499 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H](C)c2ccc(Br)s2)cc1 744029048 QALHVTYATXCWFK-CZUORRHYSA-N 433.371 5.304 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C)c(NC(=O)OC(C)(C)C)c2)cc1 744029699 WEPWSMNFAVZATN-NRFANRHFSA-N 449.551 5.646 30 20 IKED C[C@]1(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)CCCN(C(=O)c2ccccc2)C1 744034627 CTSFEYHEHBBPOC-SBUREZEXSA-N 437.952 5.068 30 20 IKED N#C[C@H](C(=O)NC1CCCC1)C(=O)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1 744038613 XETHALKXVZBUME-FQEVSTJZSA-N 447.387 5.667 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)[C@H](C)c2cccc(Cl)c2)n(C2CCCC2)c1C 745308152 YZFYBKUEKZSJJK-OAHLLOKOSA-N 427.932 5.031 30 20 IKED C=CC[C@@H](NC(=O)NCC(C)(C)Sc1ccc(Br)cc1)c1ccncc1 745827946 PAWFQLCNKFOUIV-GOSISDBHSA-N 434.403 5.331 30 20 IKED COCCN(Cc1ccc(C#N)cc1)Cn1c(=S)sc2ccc(C(F)(F)F)cc21 746050672 YKCSPBGKZKISLZ-UHFFFAOYSA-N 437.512 5.429 30 20 IKED COc1ccc(CNC(=O)N(C)[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)cc1C#N 746774766 BHKLFZFNTHYXPN-QGZVFWFLSA-N 434.565 5.210 30 20 IKED C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 747108958 NBERJQOULSMAIX-XJKSGUPXSA-N 433.961 5.143 30 20 IKED CC(=O)N(c1nc(COC(=O)c2sccc2C#N)cs1)c1c(C)cc(C)cc1Cl 748100144 OOZJTAFWLZOWNL-UHFFFAOYSA-N 445.953 5.388 30 20 IKED C=CCOc1c(Br)cc(/C=C\C(=O)c2c(C)nn(CC)c2C)cc1OCC 750913523 OAVNYHQMOFOOHW-KTKRTIGZSA-N 433.346 5.142 30 20 IKED O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)CC2(CCOCC2)C/C1=C/c1ccc([N+](=O)[O-])cc1 751517559 MDSLUNTVQBXUBG-AXPXABNXSA-N 434.448 5.130 30 20 IKED COc1cc(C=NOc2ccccc2C(F)(F)F)cc(OC)c1OCc1ccccc1 754708681 AYBISGKIEKCKOL-UHFFFAOYSA-N 431.410 5.715 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNCc2ccc(Br)c(Br)c2)c1 757686890 DSNXVBZHEHPSOM-HNNXBMFYSA-N 438.163 5.182 30 20 IKED CCCc1c(NC(=O)NCc2cccc(O[C@H](C#N)CC)c2)cnn1-c1ccccc1C 760148317 XKSMPGNSMMWMML-FQEVSTJZSA-N 431.540 5.136 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H](C)Sc2nc3ccccc3s2)c1C 762552817 KHIHVZMTTZCVLD-HNNXBMFYSA-N 433.562 5.090 30 20 IKED C#CCCN(CC(F)(F)F)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 767203448 CWQFAZBOMDGRKO-UHFFFAOYSA-N 426.778 5.068 30 20 IKED C[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)[C@H](O)c1c(Cl)cccc1Cl 768076322 DLVIJPURMNFFFR-SZNDQCEHSA-N 430.335 5.104 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F 769775435 ZWHSLXKSUFOWKR-IUPCOXQMSA-N 430.813 5.667 30 20 IKED COc1ccc(CN2CCCCC[C@H]2C[C@@H](O)c2cccs2)cc1OCCCC#N 770292725 KYFCENNTKZABHT-LEWJYISDSA-N 428.598 5.308 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OC[C@H](C#N)Cc1cccs1 772735807 MAEATSVRYIJYKN-GJZGRUSLSA-N 446.981 5.604 30 20 IKED COc1ccc(-c2ccncc2)cc1/C=C1/SC(=S)N(c2ccccc2C#N)C1=O 773902593 XZNPPTXNOJFJRO-FYJGNVAPSA-N 429.526 5.035 30 20 IKED N#C[C@@H]1C(CNC2(c3c(Cl)cccc3Cl)CCC2)=CC(=O)n2c1nc1ccccc12 773976317 LAWJXMVQLUBENW-OAHLLOKOSA-N 437.330 5.199 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2)[C@H](CO)C2CC2)cc1 779020452 MCIQCWQKKLIIJU-IZZNHLLZSA-N 425.532 5.147 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NC(=O)Nc3ccccc3O[C@@H](C)C#N)s2)cc1 780672726 IRMMQMQNSIDZSN-HOCLYGCPSA-N 436.537 5.301 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 781352273 WIIGNTOKEFSJGR-NRFANRHFSA-N 449.551 5.064 30 20 IKED C[C@H](OC(=O)C1(c2ccc(C#N)cc2)CC1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 781400991 MTSDWAJYPJBWEA-LBPRGKRZSA-N 428.275 5.251 30 20 IKED COc1ccc(NN=Cc2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1Cl 782231562 MGMYTZNAQMEYPU-UHFFFAOYSA-N 436.871 5.214 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 782514788 WEHKNBAASUQKAM-CLOONOSVSA-N 438.531 5.467 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2cnn(C(C)C)c2C)cs1)c1ccc(F)cc1F 787186345 HZUDYVMRDHAHQE-SOFGYWHQSA-N 430.480 5.088 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)nc1 791543370 MZKWDYHBUWAHJJ-UHFFFAOYSA-N 444.491 5.274 30 20 IKED O=C1COc2cc(C(=O)/C=C\c3nc(-c4cc(Cl)ccc4Cl)cs3)ccc2N1 794733836 UJCNFJJSCGYYLM-WAYWQWQTSA-N 431.300 5.344 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)c1 806808423 CSCLQRCJDRXQOS-HXUWFJFHSA-N 434.515 5.077 30 20 IKED COc1cc(/C=C/C(=O)c2c(C)nn(-c3ccccc3)c2C)cc(OC)c1OCC(F)F 809154612 ZVTRWJOGLQYGBV-ZHACJKMWSA-N 442.462 5.046 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(Br)nc2)ccc1OCC(F)(F)F 811698031 XZRWGXGXRZXHSI-UTCJRWHESA-N 430.220 5.080 30 20 IKED CCN(C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12)[C@@H](C)c1ccc(C#N)cc1 914509809 ZQEYCLDGKLXZFK-IBGZPJMESA-N 436.511 5.863 30 20 IKED Cc1ccc([C@](O)(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C(F)(F)F)o1 915085540 NHPLNBUYGKAUTQ-DENIHFKCSA-N 428.410 5.022 30 20 IKED CCOc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916627915 CUHOJVLRMWOQBL-HXUWFJFHSA-N 440.952 5.898 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccccc2)n1)C(=O)Nc1ccc(SC(F)F)cc1 916888653 YOKTYSOBBYNLOY-QGZVFWFLSA-N 443.500 5.015 30 20 IKED N#C[C@@H](C(=O)COc1ccc2ccccc2c1)C(=O)Nc1ccccc1Oc1ccccc1 916906538 DBLNDDYCLNLXJE-QHCPKHFHSA-N 436.467 5.358 30 20 IKED COc1ccc(C(=O)CCCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917044276 QKIAVCMOLWQBNR-INIZCTEOSA-N 446.450 5.553 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\SC(=Nc3ccccc3C)NC2=O)cs1 917562052 DANOGCAMTWHYPX-NDENLUEZSA-N 448.573 5.336 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cs1 917562183 UOHLDEJMAHNCPS-UXBLZVDNSA-N 431.344 6.339 30 20 IKED CCOC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920804012 IOHVZYYYXLTAOU-CQSZACIVSA-N 427.432 5.147 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(SC(F)F)cc2)cc1C 920847004 AQBDLNDXZFYHMC-UHFFFAOYSA-N 426.492 5.648 30 20 IKED N#CCCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3cccc(C(F)(F)F)c3)CCC2)cc1 1787885646 YCJOYNDMDXMFEE-KPKJPENVSA-N 441.453 5.156 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C#N)cc3)CCC2)cc1 1789448512 AZCBBNOMMPYCKE-XMMPIXPASA-N 427.548 5.003 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3[nH]c(C)cc3c2)[nH]n1 1814443955 LEDCJEBXPMDHEW-QFIPXVFZSA-N 447.583 5.498 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CSC2CCCC2)[nH]n1 1819553180 YIWDPHLLEVFXCJ-IBGZPJMESA-N 432.634 5.070 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)c2cccs2)[nH]n1 1819557050 UVJJRXNLILNQFU-WMZOPIPTSA-N 428.602 5.259 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C)cc2OC)n[nH]1 1823160270 QXDVUSLZIAAXMT-FQEVSTJZSA-N 438.572 5.025 30 20 IKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccccc23)CC1 1828006004 JWJMPRDSJWEYMQ-BJKOFHAPSA-N 438.637 5.028 30 20 IKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cc(Cl)ccc2Cl)CC1 1831239905 MYANBBYRJSKSEI-OAQYLSRUSA-N 437.411 5.122 30 20 IKED CC(C)(C)CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C#N)CCC2)CC1 1832788600 XVWGKSMKTKCAAF-JOCHJYFZSA-N 429.649 5.297 30 20 IKED N#Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)c1 8989004 PVFRVDZUCAGIBA-UHFFFAOYSA-N 437.956 5.316 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cc(C)cc(C)c2)cc1 10172653 OIUFJKIFWLSKBS-UHFFFAOYSA-O 443.636 6.083 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(C)c(F)c2)cc1 11083296 FETBSKYGCFDPIV-UHFFFAOYSA-O 441.617 6.103 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(N(C)C)cc2)cc1C 11163497 UULVAIBDIKTDJE-UHFFFAOYSA-O 444.624 5.197 30 20 IKED N#Cc1ccc(-c2ccc(OC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2)cc1 11247154 MERHCESWXHSYRR-UHFFFAOYSA-N 430.463 5.299 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(C(C)C)cc2)cc1 11263821 KOGKTSWWOBEAGZ-UHFFFAOYSA-O 439.551 5.989 30 20 IKED C=CCn1c(SC[C@H](O)COc2ccc3ccccc3c2)nnc1-c1cccc(C)c1 11810300 KUYSELWGDIZSJQ-JOCHJYFZSA-N 431.561 5.125 30 20 IKED C=CCn1c(SC[C@@H](O)COc2ccc3ccccc3c2)nnc1-c1cccc(C)c1 11810302 KUYSELWGDIZSJQ-QFIPXVFZSA-N 431.561 5.125 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C(C)C)cc2)[n+]2ccccc2CC)cc1 22728683 YMQKPYBDFHEERK-UHFFFAOYSA-O 447.624 6.110 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(OCC)cc2)[n+]2ccc(CC)cc2)cc1 22731391 OEQRWLYSZJTYOE-UHFFFAOYSA-O 449.596 5.385 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccccc2CC)c1 22732319 WUJFTHLMEUDWER-UHFFFAOYSA-O 425.524 5.428 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2ccccc2)s1 22732628 GXEQIQUWNDOSDD-UHFFFAOYSA-O 432.388 5.157 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)NC(C)(C)CC)nc2scc(-c3ccccc3)c2c1=O 23404496 ZWWVVUDDHOXWTH-HNNXBMFYSA-N 441.622 5.096 30 20 IKED COc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1Br 32289072 NKJNCILRBIWTML-UHFFFAOYSA-N 437.293 5.161 30 20 IKED N#CCCCOc1cccc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)c1 59770468 RKNZRNLJKGPQJK-UHFFFAOYSA-N 443.528 6.055 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(F)cc1I 78720110 LYMQWIQGCINNMX-LLVKDONJSA-N 440.281 5.077 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 302971477 IDRAOKHJUNLNBI-UHFFFAOYSA-N 437.499 5.667 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)c2cccc(SCC#N)c2)nc1-c1ccccc1 430698275 YTKJBJOWLGAFFX-NRFANRHFSA-N 431.561 6.058 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 432641719 JUIBQKLYAGMDOJ-UHFFFAOYSA-N 448.482 5.303 30 20 IKED CC(C)(C)c1cc(NC(=O)CN[C@H](CCCC#N)c2ccccc2)n(-c2ccccc2)n1 433008554 DNUHKQUDCCXXJG-JOCHJYFZSA-N 429.568 5.133 30 20 IKED C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 435102736 JHXNOVZOJMIMEG-CJFMBICVSA-N 425.532 5.742 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1csc(CCc2ccccc2)n1 435133641 BYJSDMRKTMKDJQ-KRWDZBQOSA-N 436.606 5.502 30 20 IKED N#Cc1nc(NC(=O)c2cccc(CSc3c(Cl)cccc3Cl)c2)[nH]c1C#N 438967374 OLIZDSZJZIWMNW-UHFFFAOYSA-N 428.304 5.004 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)N[C@@H](C)C(=O)N(CCC#N)c3ccccc3)s2)cc1 439606668 LBCGHIPWPMHQFC-QUCCMNQESA-N 432.593 5.413 30 20 IKED N#Cc1cnc2c(Br)cccc2c1N1CCC(c2c[nH]c3ncccc23)CC1 440635940 FCTPPHMAIWWAOW-UHFFFAOYSA-N 432.325 5.129 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccc(CN2CCCC2=O)cc1)c1ccc(C(F)(F)F)cc1 442217091 JABVMIJQAFMKKJ-NRFANRHFSA-N 445.485 5.657 30 20 IKED CCc1c(C)sc(NC(=O)CCc2nc3cc(Br)ccc3s2)c1C#N 443907293 LUGQTRPQIKFSBN-UHFFFAOYSA-N 434.384 5.434 30 20 IKED CN(Cc1ccc(F)c(F)c1)C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444022772 IQLLZXSHQFKXJI-MRXNPFEDSA-N 440.334 5.819 30 20 IKED C=CCN(C(=O)c1csc(Nc2ccc(OC)cc2)n1)c1nc2c(s1)CCCC2 444460635 LFPHBPNRJWXVCI-UHFFFAOYSA-N 426.567 5.063 30 20 IKED C[C@@H](CC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1)NC(=O)C1CCCCC1 460334673 KXXYCQZKSGTGDS-SFHVURJKSA-N 437.971 5.220 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c1 460336906 BZVYFVMWINNJDI-OAQYLSRUSA-N 433.870 5.010 30 20 IKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccccc1CC(F)(F)F 460474962 HNUMDIVGYUWAIQ-UHFFFAOYSA-N 445.281 5.847 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)cc1Cl 462274418 REKYJPYLOPQPRH-PWWKTKHKSA-N 445.950 6.037 30 20 IKED N#Cc1ccc(COc2ccc(Cl)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 462657693 FLLNBQIHFAZQGB-UHFFFAOYSA-N 442.258 5.605 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cn(-c2ccc(Cl)cc2)nc1C 463104125 GOWMKJDHEXIUNL-UHFFFAOYSA-N 443.894 5.454 30 20 IKED COc1ccc(NC(=O)CNc2ccc(Oc3ccccc3C#N)c(F)c2)cc1Cl 463223395 TXWWMQYHCYHABZ-UHFFFAOYSA-N 425.847 5.202 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)cc1C 465462300 ZTBOQNMEFWXIPT-UHFFFAOYSA-N 443.551 5.236 30 20 IKED Cc1cccc([C@@H]2CCCCCN2C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 470531097 JSSXBPPMXJMYMC-DEOSSOPVSA-N 444.579 5.727 30 20 IKED CC(C)[C@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)C(F)(F)F 470787301 IXWHZPGXICKGON-LBPRGKRZSA-N 447.301 5.227 30 20 IKED CN(C(=O)c1ccc(Cl)c(NC(=O)C[C@H](CC#N)c2ccccc2)c1)c1ccccc1 476075181 QFGHYEHDFSTYGZ-IBGZPJMESA-N 431.923 5.643 30 20 IKED N#Cc1ccc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C4)C3)nc1 477100198 QNRXYIATLALQDJ-ZYKQFOSWSA-N 431.380 5.014 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 477879824 OUJFYFFOEJOZND-ILBGXUMGSA-N 439.515 5.050 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 480990943 QEJWOVZTNBURAT-UHFFFAOYSA-N 442.759 5.509 30 20 IKED CN(C)C(=O)c1ccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1Cl 481180980 LJDKMZVRWYUASP-UHFFFAOYSA-N 435.936 5.317 30 20 IKED Cc1ccc([C@@H](N[C@H]2CCCCc3cc(C#N)ccc32)c2cccc(S(C)(=O)=O)c2)cc1 481657128 ZFNQSVRPWNTGAN-RRPNLBNLSA-N 444.600 5.417 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)Nc3ccc(OCC(F)F)cc3)c2)c1 483475566 ONVUDKNZKHLIGK-UHFFFAOYSA-N 436.418 5.098 30 20 IKED Cc1ccn(-c2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cc2)n1 487088723 AIWMBPRWXRKZAU-QHCPKHFHSA-N 426.907 5.742 30 20 IKED Cc1nc(SCC(=O)N(c2ccc(F)c(Cl)c2)c2nccs2)c(C#N)c(C)c1C 489103394 ZYBJRSMPHOQNQB-UHFFFAOYSA-N 446.960 5.585 30 20 IKED CCOc1ccc(SCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 501421484 MSFWPUFKNSFPDL-UHFFFAOYSA-N 432.545 5.461 30 20 IKED CN(C)CCCC1CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 501613701 FEIGYTBNMDIMAQ-UHFFFAOYSA-N 425.960 5.198 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)c1 502336063 BVAAQBBXBKJBCB-QHCPKHFHSA-N 446.478 5.086 30 20 IKED COc1cc(CN(C(=O)Nc2cc(C#N)ccc2OC(C)C)C2CC2)ccc1OC(F)F 503263796 DHLHQPBNLRBXMI-UHFFFAOYSA-N 445.466 5.152 30 20 IKED CC[C@@H](C)n1c(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccccc1 504278876 DRALKBWLBSZRPM-HUUCEWRRSA-N 439.972 5.560 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)c2)cc1 505928320 MGPZMQGDCWDRSM-QFIPXVFZSA-N 435.405 5.151 30 20 IKED CC(C)(C)c1noc(-c2ccccc2C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)n1 505975950 IUYGCQLBNABQKN-QGZVFWFLSA-N 428.414 5.048 30 20 IKED N#C[C@@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)c1ccc(Cl)c(Cl)c1 505990130 DZIGSKKVMVVYIG-QGZVFWFLSA-N 436.751 5.694 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1ccc(OC)cc1)c1ccccc1OC 506672941 IHCHETXGWDYXGF-AREMUKBSSA-N 441.531 5.063 30 20 IKED CCOCc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 508275186 FGXHMFGWOGJZGE-UHFFFAOYSA-N 431.492 5.217 30 20 IKED CO[C@H](CSCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)cc1 509132681 SAEDURXZRUTIBU-HNAYVOBHSA-N 435.014 5.651 30 20 IKED CCN(C(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C)[C@@H](C)c1ccc(C#N)cc1 509561409 RBSYPDQMOZIWNK-INIZCTEOSA-N 435.549 5.231 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 510554566 RJZHKKWTTJGPTL-KRWDZBQOSA-N 428.492 5.092 30 20 IKED COc1ccc(NC(=O)Cc2c(F)cccc2C#N)cc1OCc1ccc2ccccc2n1 510828418 GYEVPFHGXDPMLZ-UHFFFAOYSA-N 441.462 5.014 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cscc3Br)cc2F)c1 510844134 GBJZHVDPJNATFZ-UHFFFAOYSA-N 431.286 5.353 30 20 IKED CCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 511907170 BTNVPKIIBRBPHL-UHFFFAOYSA-N 441.531 5.180 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(OC)c(NC(=O)Nc3ccccc3OC)c2)cc1 512584431 YIJBPNHHBQXAAF-UHFFFAOYSA-N 447.491 5.165 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCNC(=O)c1ccc2ccccc2c1 512844435 NHZBZZRPLUPPME-UHFFFAOYSA-N 449.510 5.571 30 20 IKED N#Cc1c(F)cccc1-n1ccc(NC(=O)N2Cc3ccccc3C[C@H]2c2ccccc2)n1 513103648 XGNWGLAFVVVXFV-DEOSSOPVSA-N 437.478 5.215 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CC[C@@H](C(F)(F)F)C4(CCC4)C3)cc2)cc1 514192263 HKCRINMFUGWVLA-OAQYLSRUSA-N 428.454 5.740 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 518024367 VOMHBDLLQPMMFW-UHFFFAOYSA-N 442.544 5.410 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(CN2CCCC[C@H]2C)cc1 518255493 NHFWYKQRVVGFEK-UXHICEINSA-N 436.625 5.777 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(CCN4CCCCC4)cc3)cc2)nc1 518373752 XGGASDIWUVWZNC-UHFFFAOYSA-N 426.520 5.026 30 20 IKED Cc1ccc(NC(=O)[C@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(F)c1 518667220 YKDOCOWDOSIXDN-ZDUSSCGKSA-N 425.451 5.598 30 20 IKED COc1ccc(CCC2CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)cc1 521259737 QCNMXFGBILYUSJ-IBGZPJMESA-N 437.609 5.824 30 20 IKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c12 521730683 SQJZPEQELYDAQM-AWEZNQCLSA-N 447.589 5.509 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCCCn2cnc3ccccc32)c1 523898729 RRXCXOGPNDZEGS-UHFFFAOYSA-N 430.895 5.174 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCc3c([nH]c4ccccc34)C2)cc1 534038790 LJOZUDDWPUMGDH-UHFFFAOYSA-N 436.515 5.403 30 20 IKED CC(C)Cn1ncc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1C(F)F 534121134 JNTJOIQDIQFYKZ-UHFFFAOYSA-N 444.869 6.046 30 20 IKED CCOc1c(Br)cc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)cc1OC 534519812 GPJYLVXBXNVBMT-UHFFFAOYSA-N 437.359 5.339 30 20 IKED COC(=O)c1cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c(F)cc1F 534875892 WIFVJGOSUNLGHD-UHFFFAOYSA-N 442.805 5.321 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2cc3c(cc2F)CCC(=O)N3)cc1Cl 536414447 LUQPIUPBDCZOTA-UHFFFAOYSA-N 435.842 5.280 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)cc1 540095398 GRLVSKGYMYULFJ-AOYPEHQESA-N 443.522 5.187 30 20 IKED C=CCC[C@@H](N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(C(F)(F)F)cc1 540151154 MXHZMWXBCOHWPO-IFXJQAMLSA-N 429.479 5.606 30 20 IKED C[C@@H](NC(=O)N[C@@H]1CCOC2(CCSCC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 542079139 WTHSRHYRQNSVGC-WZONZLPQSA-N 435.593 5.030 30 20 IKED C=CCNC(=O)c1cccc(-c2noc(-c3ccc(Oc4ccncc4)c(Cl)c3)n2)c1 546365837 DGZFVUMKHQQQOH-UHFFFAOYSA-N 432.867 5.160 30 20 IKED CCC(C)(C)NC(=O)c1ccc(NCc2cccn2Cc2ccccc2C#N)cc1Cl 551085895 DCDXICVMOKPSSG-UHFFFAOYSA-N 434.971 5.592 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1C[C@]12CCc1cc(Br)ccc12 553455060 FQVLSZAKXNZLGG-GGAORHGYSA-N 442.401 5.035 30 20 IKED C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC(OC(C)C)CC1 554634582 YDTGBSBLTNPWAO-GOSISDBHSA-N 432.996 5.268 30 20 IKED N#CCCC[C@H](NC(=O)C(=O)Nc1ccnc(Oc2ccccc2Cl)c1)c1ccccc1 556624251 AXJDENKBFRGGQR-FQEVSTJZSA-N 448.910 5.017 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 558271810 APSCAVLFHMRSCN-UHFFFAOYSA-N 437.462 5.001 30 20 IKED Cc1c(C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)sc2ccc(C#N)cc12 559864494 MJIUTQNBLUEZBZ-WJOKGBTCSA-N 444.581 5.783 30 20 IKED Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 565997829 DSVLNZCJJQTMDS-UXHICEINSA-N 443.482 5.075 30 20 IKED CCn1c(-c2ccc(COc3ccc(Cl)cc3)cc2)nnc1N1CCC(C)(C#N)CC1 571982030 GXAIFKVBDNQETF-UHFFFAOYSA-N 435.959 5.327 30 20 IKED CC(=O)Nc1ccc(-c2noc([C@@H](F)c3ccc(C(F)(F)F)cc3)n2)cc1C(F)(F)F 579161835 UCMBPPBQDACIIA-HNNXBMFYSA-N 447.310 5.792 30 20 IKED N#Cc1ccc(OCc2nnc(N3CCC[C@@H]3c3cccs3)n2Cc2ccccc2)cc1 580667717 SPHAOWPYVBUKCL-JOCHJYFZSA-N 441.560 5.180 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)CC1 581081159 KOXVYLWQHCQCIA-AZUAARDMSA-N 442.485 5.003 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2cccc(S(=O)(=O)C3CCCCC3)c2)c(Cl)c1 590478324 VMVKGYUHZVVHDI-UHFFFAOYSA-N 437.348 5.224 30 20 IKED Cc1ccc(-c2ccc(C(=O)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c(F)c2)cc1 592609750 MBOBHKOXVOZLSW-IYBDPMFKSA-N 433.367 6.004 30 20 IKED C=CCN(C(=O)c1ccc(C#N)c(C)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 603565398 QTMLIJKAVMFHNZ-UHFFFAOYSA-N 429.332 5.525 30 20 IKED Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1NC(=O)c1ccccc1 603589508 VMJKOOIQDAZMEC-UHFFFAOYSA-N 425.532 5.417 30 20 IKED N#Cc1cc(NC(=O)N(Cc2ccco2)Cc2cccs2)ccc1OCC(F)(F)F 603660292 GULDYHQIFLYNQS-UHFFFAOYSA-N 435.427 5.388 30 20 IKED COc1ccc(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C)c1 603971488 QZTJKGNVNGHHGW-HXUWFJFHSA-N 426.925 5.113 30 20 IKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1ccccc1Sc1ccccc1C#N 604519988 XMFCKJIPQODWKC-ATIYNZHBSA-N 442.584 5.949 30 20 IKED N#CCCN(Cc1cccnc1)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12 604530097 UOBCASNNOXXRTB-UHFFFAOYSA-N 444.485 5.383 30 20 IKED C=CCN(C(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1)c1nc2c(s1)CCCC2 607446034 HAZDASAUZFAIEP-UHFFFAOYSA-N 425.598 5.158 30 20 IKED N#CCC[C@@H](C#N)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCCC3 608845953 LALZMANBIDXFLO-INIZCTEOSA-N 434.590 5.252 30 20 IKED CC(C)[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1nc(C2CC2)no1 609046823 MOPRIAIELMIDBG-QFIPXVFZSA-N 445.523 5.111 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ncc(Cc4cccc(F)c4)s3)o2)cc1 609057042 MCEGZDNHRZCQEO-UHFFFAOYSA-N 433.464 5.169 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)c1 609067714 RCCDQJQYRCNKSI-UHFFFAOYSA-N 427.457 5.750 30 20 IKED CC[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ncc(-c2ccccc2)[nH]1 609071763 ZPXDPSBQONRCAP-NRFANRHFSA-N 426.476 5.001 30 20 IKED CCOc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC 609078492 UOFCNQSXFFWMQQ-UHFFFAOYSA-N 445.519 5.175 30 20 IKED COc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 609078516 WDAKULDVBOMTCY-SANMLTNESA-N 441.531 5.823 30 20 IKED COc1ccc(F)cc1[C@H](C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609079066 HTAVJXOALVYWLF-KRWDZBQOSA-N 433.483 5.476 30 20 IKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cc3coc(-c4cccs4)n3)c2C#N)C1 609261247 GALICYJFFZQTKO-CYBMUJFWSA-N 425.579 5.668 30 20 IKED Cc1cn(-c2ccccc2)nc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 609319070 LZLOHTNZTFUCNM-UHFFFAOYSA-N 439.494 5.426 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nc3ccccc3s2)s1 609427816 OFKGFRPKOTUPRH-CQSZACIVSA-N 435.599 6.671 30 20 IKED Cc1cc(Oc2ccccc2)ccc1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 609445679 ZEQSJZMZILRMCH-UHFFFAOYSA-N 434.517 5.117 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H](C#N)c1ccccc1Br 609590216 FYBYYKPXZHLJDQ-INIZCTEOSA-N 430.302 5.015 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@@H](c4nc5ccccc5o4)C3)c2)c1 609659704 OICQFFZINVSCBE-JOCHJYFZSA-N 437.499 5.298 30 20 IKED Cc1cccc2c(N3CCC(C(=O)Nc4cccc(Br)c4)CC3)c(C#N)cnc12 610277561 FVMWZNZQRXUWDU-UHFFFAOYSA-N 449.352 5.033 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@@H](CC2CC2)c2ccccc2)cc1F 610382247 NQEQLSRPWWTGMY-QFIPXVFZSA-N 443.478 5.086 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2ccccc2F)CCCC1 642156552 CDQBYZGUNZEBTH-WDNDVIMCSA-N 425.388 5.663 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1C(F)(F)F 676036789 BIXPVHCGLAUPRR-MBTKJCJQSA-N 425.266 5.484 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)Cc2ccccc2-3)[n+]2ccccc2)c1 726572625 FMNJYFCZEKEGCH-UHFFFAOYSA-O 445.567 5.850 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2nc(-c3ccsc3)oc2C)cc1C 726812937 MZBXWOAYLHRVBQ-UHFFFAOYSA-N 446.532 5.463 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3cccc(OC4CCCC4)c3)n2)cc1 727955908 XRZCDXVKWWXPBK-JGDYFIEFSA-N 439.540 5.893 30 20 IKED N#CCc1ccc(N/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)cc1 730971103 LLOXMIOSMVDWLX-PXLXIMEGSA-N 447.416 5.411 30 20 IKED Cc1nc(-c2ccc3ccccc3c2)n(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)n1 731029622 ZHIYCNPMSZODRA-KRWDZBQOSA-N 441.560 5.297 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4ccc(C)c(OC)c4)CCCC3)n2)cc1 731137560 LKEXCTUDIBYMQA-NRFANRHFSA-N 446.572 5.824 30 20 IKED N#Cc1cccc(OCCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 732495732 GUSAALMGNMDEAM-HXUWFJFHSA-N 435.936 5.761 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc2ccc(Cl)cc2[nH]1 732544748 HUTYVTVCRXMSGI-HNNXBMFYSA-N 430.895 5.566 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)OCC(=O)Nc2c(F)cccc2F)c1 735165548 LENCGHSEGHGHAP-UHFFFAOYSA-N 442.805 5.078 30 20 IKED CCc1c(C(C)=NN=c2cc(C(F)(F)F)[nH]c(-c3ccncc3)n2)oc2ccccc12 735979157 ZNAVNMUFZXMACR-UHFFFAOYSA-N 425.414 5.124 30 20 IKED COC(=O)[C@H](OC(=O)c1sc(-c2ccco2)nc1-c1ccccc1)c1ccc(C#N)cc1 740199458 QAJMFVOIGCUROF-HXUWFJFHSA-N 444.468 5.013 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=S)N[C@H]2CCOc3ccccc32)cc1 741496007 STFMPDKMLUGWJJ-QHCPKHFHSA-N 431.536 5.098 30 20 IKED CC(C)(C)c1ncc(/C=C/C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)s1 744029114 OGPBSMVCUJOKNY-JKIKYLSZSA-N 445.544 5.594 30 20 IKED C(=NNc1ncnc2c1oc1ccccc12)c1cn(-c2ccccc2)nc1-c1cccnc1 744788678 VGRVBFRPNCMBSP-UHFFFAOYSA-N 431.459 5.070 30 20 IKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 746659532 KIJMWWPNGONVQO-HXOBKFHXSA-N 437.465 6.586 30 20 IKED O=C(Nc1cccnc1)/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)c1ccccc1 747127733 ISZUTZBRSZREFY-JCMHNJIXSA-N 439.427 5.155 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCCCC[C@H]3C[C@@H](O)c3ccccc3)cc2)nc1 752115016 XHDCNUPUFDUVJT-UKILVPOCSA-N 441.531 5.254 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)c1 754028883 BRYGLGMJPIFZHZ-KRWDZBQOSA-N 433.335 5.344 30 20 IKED C[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)[C@H](C)c1ccccc1C(F)(F)F 754486903 ZQFGCDPMJKBRIS-MPGHIAIKSA-N 438.453 5.024 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCO[C@@H](c3ccsc3)C2)c1=S 758400628 RVCUONXPQAMDSK-GOSISDBHSA-N 433.002 5.013 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(F)cc2N(C)C)cs1 764440950 DVINHGLGBBCWGN-YRNVUSSQSA-N 443.931 5.582 30 20 IKED N#Cc1cccc(-c2cnc(CNC(=O)/C(=C\c3ccc(F)cc3)c3cccs3)[nH]2)c1 770029801 ANIWJZFEBQEOOV-NDENLUEZSA-N 428.492 5.006 30 20 IKED C[C@@H](OC(=O)c1ccc(C#N)c(Cl)c1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 778541730 BGGPUXUQRMOOAR-MRVPVSSYSA-N 432.090 5.356 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](c3c(F)cccc3Cl)N(C)C)n2)cc1 778613663 GUEIYUATYYWSMJ-FOIQADDNSA-N 443.931 5.090 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 780555505 WRCOQOGFQOXLCG-MRXNPFEDSA-N 430.439 5.211 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 780681237 OLKBMTIVSNMFTO-GGAORHGYSA-N 448.567 5.253 30 20 IKED Cn1nc(C(F)(F)F)c(CN[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1Cl 782505097 XALBUSRKIUHNHN-SNVBAGLBSA-N 439.709 5.504 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)Nc1ccc(SC(C)(C)C)cc1 784259142 YJPFEXAEHSWSMD-HNNXBMFYSA-N 427.595 5.549 30 20 IKED C#CCCOc1ccc(CN[C@@H](Cc2ccccn2)c2ccc(Br)cc2)cc1 788970479 UBQSZMIDNKCCDI-DEOSSOPVSA-N 435.365 5.320 30 20 IKED N#CC[C@H](CC(=O)O[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccccc1 796532577 OVKXFFBAUZTBLZ-DYESRHJHSA-N 428.319 5.562 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cccc(NC(=O)OC)c1C)c1ccc(C(F)(F)F)cc1 798026895 GNILMXFCRISKGD-LJQANCHMSA-N 435.446 6.021 30 20 IKED N#C[C@@H](C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 802036421 WRLPQUXBAOCFFE-BBRMVZONSA-N 449.429 5.182 30 20 IKED CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(c2ccc([C@H](C#N)c3ccccc3)cc2)C1=O 804204171 QUXGYQXINCXTLF-RCZVLFRGSA-N 429.907 5.357 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])s2)S1 810198318 PNHTZYJWWZLVBW-UNOMPAQXSA-N 435.530 5.832 30 20 IKED N#C[C@@H](COC(=O)c1nc2ccccc2cc1Cl)Cc1ccccc1Br 810750651 KDFRDTRAIVIWBE-ZDUSSCGKSA-N 429.701 5.190 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN(C)[C@H]2CCCC[C@H]2C(F)(F)F)c1=S 812297825 MYVCSMVHWQWOAR-SJORKVTESA-N 425.524 5.063 30 20 IKED Brc1ccccc1NN=Cc1cn(Cc2ccccc2)nc1-c1cccnc1 812462388 MZGJJSMQPILLBC-UHFFFAOYSA-N 432.325 5.202 30 20 IKED CN(Cc1ccccc1NC(=O)N[C@H](CCCC#N)c1ccccc1)C(=O)OC(C)(C)C 814640644 NDKQBACLNXDNLE-OAQYLSRUSA-N 436.556 5.610 30 20 IKED COc1cc(C=NOCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc(Cl)c1OC 823671255 FRHXBSDWYLBPAQ-UHFFFAOYSA-N 432.948 5.593 30 20 IKED N#Cc1ccc(N2C[C@H](c3nc(-c4ccc(-c5ccccc5)cc4)no3)CC2=O)cc1Cl 904550675 NCCUZEARRFJVFQ-HXUWFJFHSA-N 440.890 5.449 30 20 IKED CN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccccc2)n(-c2ccc(F)cc2)c1=S 914783346 XQUAJMSLZQGPRQ-UHFFFAOYSA-N 429.524 5.171 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 915088016 YUGANZOQTXCONH-QHCPKHFHSA-N 437.524 5.908 30 20 IKED CC(=O)N(c1ccccc1)c1nc(C=NNc2cc(C)c3ccc(C)c(C)c3n2)cs1 916543522 RPJWFLWHXSDLJE-UHFFFAOYSA-N 429.549 5.747 30 20 IKED CSc1ccc(N2C[C@@H](C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)CC2=O)cc1 916974409 KOUJNDMJHQDRJQ-PXNSSMCTSA-N 447.585 5.070 30 20 IKED Cc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c(Br)c1 917041041 OFPPCYDXHSUMFM-MYSGNRETSA-N 430.252 5.392 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CC[C@H]2c2ccccc2)c1=S 917446552 YKFPPUNUOGJSKO-FQEVSTJZSA-N 426.973 5.237 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CNc3ccc(F)cc3)CCC2)cc1 1789626074 JCXYJPAZOWUUQQ-UHFFFAOYSA-N 437.559 5.364 30 20 IKED N#CCC(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3F)cc2)CCC1 1790820218 BNEQJXGNYHZQJP-UHFFFAOYSA-N 445.469 5.293 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(C(C)(C)C)nc3)CC2)C1 1804857662 PJYWDKBJBDVHAH-UHFFFAOYSA-N 439.644 5.216 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cccc(C)c2)n[nH]1 1815562161 HLRXGVLBJLLVIB-GGAORHGYSA-N 434.584 5.111 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](F)c2ccccc2)CC1 1824857883 MRGKYIBDQZYCLK-SGNDLWITSA-N 426.576 5.085 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(OC)c2C)CC1 1832537421 IXTRLQSCHCEXTB-QHCPKHFHSA-N 440.628 5.229 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccccc2Cl)cc1 10826826 RIHFPTTVBXVOOP-UHFFFAOYSA-O 441.020 5.586 30 20 IKED Cc1cc(N(CCC#N)C(=O)CSc2ncnc3sc4c(c23)CCC4)ccc1Cl 11972676 LLMCCFXYULYRMW-UHFFFAOYSA-N 442.997 5.181 30 20 IKED CC(C)c1ccc2c(c1)/C(=N/Nc1ncnc3scc(-c4ccc(F)cc4)c13)C(O)=N2 19332476 OAFKYBJGZNOVMJ-UHFFFAOYSA-N 431.496 6.039 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2ncc(C(F)(F)F)cc2Cl)cc1 21551213 ZEVNGMZITDWKEI-ZDUSSCGKSA-N 427.879 5.490 30 20 IKED COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N 24284236 LEJIEPPFNXGTLL-SNVBAGLBSA-N 429.851 5.062 30 20 IKED C[C@H](NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)N(CCC#N)c1ccccc1 28799959 YAPPHAYYLCDPLF-SQJMNOBHSA-N 436.559 5.225 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C(=O)N1CCCc2ccccc21)C(C)C 32785449 HFANWCKRBMUELU-DEOSSOPVSA-N 446.620 5.151 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccc(Cl)cc1 36801922 FKJMFRFYENWHAL-OAHLLOKOSA-N 440.956 5.106 30 20 IKED C=CCn1c(SCc2nnc(C3CC3)o2)nc2scc(-c3ccc(C)cc3)c2c1=O 63413749 OZWLTQGJGJCTDX-UHFFFAOYSA-N 436.562 5.172 30 20 IKED COc1ccccc1OCc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)o1 97366775 GRJLEVQNUQGMEX-UHFFFAOYSA-N 445.500 5.038 30 20 IKED N#Cc1cc(N2CCC(c3nc4cc(Cl)ccc4o3)CC2)nc2ccc([N+](=O)[O-])cc12 301988124 NPLYGSIVIFGJML-UHFFFAOYSA-N 433.855 5.193 30 20 IKED N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(CSc3ccccc3)cc2)CC1 302800333 SZGMZAGYEKWGNE-RUZDIDTESA-N 427.573 5.002 30 20 IKED C=CCn1c(SCC(=O)N(Cc2ccco2)c2ccccc2)nnc1-c1ccccc1 302853828 YITNZCKRGHUCLL-UHFFFAOYSA-N 430.533 5.050 30 20 IKED COc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc(Cl)c1OCC(C)C 303320971 HSIVQWDMEBZMEM-OAHLLOKOSA-N 432.973 6.030 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3cccc(OCC(F)(F)F)c3)c2)cc1 303647176 SKYLGIJLJUWTCE-UHFFFAOYSA-N 426.394 5.331 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3ccc(OC)cc3)no2)nnc1-c1cccc(OC)c1 428350543 YHZTXAFKFRDBHO-HNNXBMFYSA-N 449.536 5.052 30 20 IKED C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 437890742 RBLCCCQJYHKPIQ-OSPHWJPCSA-N 442.494 5.565 30 20 IKED Cn1nccc1[C@@H]1CCCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 439350030 LUCBFFKSWKJPEH-NRFANRHFSA-N 435.915 5.497 30 20 IKED C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 439578570 XSUZCNFTYSNUAK-GOSISDBHSA-N 428.467 5.237 30 20 IKED Fc1ccc(CNC2(c3cccc(OC(F)(F)F)c3)CCOCC2)cc1C(F)(F)F 446846543 BCGGLVGNQOXADL-UHFFFAOYSA-N 437.355 5.539 30 20 IKED Cc1nc(CNC(=O)c2occc2COc2cccc(C#N)c2)oc1-c1ccc(Cl)cc1 447279602 HYOTUHSRUOBFIG-UHFFFAOYSA-N 447.878 5.277 30 20 IKED Cc1ccc(Sc2ccc(Cl)cc2)c(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 461304476 BMMQMWMZOBSBJR-UHFFFAOYSA-N 445.935 5.504 30 20 IKED CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 464949502 OAROSRJOJIICSH-TZIWHRDSSA-N 438.959 5.172 30 20 IKED FC(F)(F)COc1cnccc1CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 466413413 ALFKBZQNMYOHKC-UHFFFAOYSA-N 432.286 5.350 30 20 IKED N#CCCCOc1cccnc1NC(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 466615407 GJPFWOAHFHDCMD-UHFFFAOYSA-N 427.508 5.023 30 20 IKED N#Cc1c(NC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)sc2c1CCCC2 468541717 LWTGXKTXCUGBFU-UHFFFAOYSA-N 448.331 5.625 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2cccc(C#N)c2)no1 469355489 WCBNBKWFLCGLOR-UHFFFAOYSA-N 442.422 5.490 30 20 IKED CC(=O)c1ccc(C#N)c(N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1 469565000 HVLLGUZBIJISCA-IBGZPJMESA-N 442.359 5.376 30 20 IKED C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C 469605311 RMVRHKHGXZZCKI-SRCQZFHVSA-N 435.387 5.039 30 20 IKED C=CCn1c(SCC[C@@H](C)OCc2ccccc2)nnc1[C@H]1COc2ccccc2O1 473412786 QKKNNUOTYGUAKM-XMSQKQJNSA-N 437.565 5.064 30 20 IKED Cc1cc(Br)cc2c(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)coc12 473490299 OBTXVJLIBDVRBL-OAHLLOKOSA-N 438.306 5.512 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)n1 474451564 YSGUCKKDORTFEU-CYBMUJFWSA-N 438.862 5.614 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCc1cc(OC)c(OC)cc1Br 475575152 ZAHOXFMAUYTKBE-UHFFFAOYSA-N 447.373 5.640 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1cccc(NC(=O)c2ccccc2)c1 478805890 KGVPNKDJNNTFFQ-UHFFFAOYSA-N 445.567 5.004 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)Nc2n[nH]cc2-c2ccc3c(c2)OCO3)cc1 479966721 XQYNJAWJUZUCNA-UHFFFAOYSA-N 440.484 5.081 30 20 IKED N#Cc1cc2c(nc1NC(=O)c1ccc(SCc3cn4ccccc4n3)cc1)CCCC2 484149105 SXRJADOTSDALDW-UHFFFAOYSA-N 439.544 5.024 30 20 IKED C=CCn1c(SCc2nc(O)c3c4c(sc3n2)CCCC4)nnc1-c1ccc(C)cc1 489659172 KXGYRAIHMNCLCS-UHFFFAOYSA-N 449.605 5.321 30 20 IKED CS(=O)(=O)c1cccc([C@@H](Nc2cccc(OCCCC#N)c2)c2ccc(F)cc2)c1 494959275 YBJUQDDHDSBCEY-DEOSSOPVSA-N 438.524 5.113 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Oc3ccncc3)cc2)cc1C 497426781 QNFGOZGUUKMENI-UHFFFAOYSA-N 437.503 5.520 30 20 IKED C=CCn1c(SCc2ccc(OCc3cccnc3)cc2)nnc1-c1ccc(F)cc1 499343588 AYOPFFMUZCGBLE-UHFFFAOYSA-N 432.524 5.537 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(CO[C@H]3CCC[C@@H](C)C3)c2)cc1 502524120 XPNQTMWDZMCLNL-JPYJTQIMSA-N 436.556 5.733 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C(F)(F)F)cc1 504522710 ZBNDRYULWANFMN-GOSISDBHSA-N 446.454 5.039 30 20 IKED CSc1nc(-c2ccco2)nc(C)c1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 505344545 PPCNATVOHLTRJY-CYBMUJFWSA-N 433.320 5.068 30 20 IKED C=CCN(CCc1ccco1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 505365963 JATRLTFQQSUQQA-OAQYLSRUSA-N 436.474 5.206 30 20 IKED COc1ccc([C@H](CNC(=O)c2cc(C#N)ccc2Cl)c2c[nH]c3ccccc23)cc1 505999499 HINLKQCVDGXYAF-NRFANRHFSA-N 429.907 5.263 30 20 IKED Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](C#N)c1cccc(Br)c1 506513878 ZNVBVXXHRDOROV-MRXNPFEDSA-N 430.689 5.061 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 507829219 XUZLZMCWWOPMNK-GOSISDBHSA-N 443.547 5.923 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c(C)c1 508277260 ZSZIKPRFXNYHHH-QGZVFWFLSA-N 426.561 5.251 30 20 IKED C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@@H](C)c1nccs1 508849104 PDUWPJNWWGNGNV-OAHLLOKOSA-N 436.610 5.259 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1nc(-c2ccc(Cl)c(Cl)c2)oc1C 514111667 APZPEWDVRVKPKS-UHFFFAOYSA-N 444.318 5.117 30 20 IKED N#Cc1ccc(N2CC[C@@H](Sc3nnc(-c4ccc(F)cc4)c4ccccc34)C2=O)cc1 515175288 XIKCUGJXVSKYGM-JOCHJYFZSA-N 440.503 5.205 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 517780873 JGZOMFMISWUGFW-UHFFFAOYSA-N 437.503 5.125 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Br)cc3C)n2)cc1 517800994 VRXMDHLODVAKJT-QGZVFWFLSA-N 427.323 5.380 30 20 IKED C[C@@H](C#N)CSc1ccccc1NCC(=O)Nc1ccc(N2CCc3ccccc32)cc1 519425160 WGAKOSJKIXTEGB-IBGZPJMESA-N 442.588 5.683 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(Oc2ccc(C)cc2)cc1 520592443 PPJYQGMKXXSQJR-UHFFFAOYSA-N 427.504 5.036 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1cccc(N2CCCC2)c1 522039138 HHMUVMGNXNTZLY-SFHVURJKSA-N 427.508 5.228 30 20 IKED CCN1CCc2nc(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)sc2C1 522580043 YACSUPIRQUKWCO-UHFFFAOYSA-N 438.940 5.091 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCN2C(=O)CCc3ccccc32)cc1Cl 523112221 PCORKVAEUPESHI-QFIPXVFZSA-N 443.934 5.303 30 20 IKED Cn1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1NC(=O)CCc1ccc(C#N)cc1 524625057 OIMILLQGUHQYPS-UHFFFAOYSA-N 432.833 5.202 30 20 IKED Cn1ccc2c(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cccc21 524628052 NJQJRDSFTHYRCR-MRXNPFEDSA-N 426.328 6.099 30 20 IKED C=C(C)Cn1c(SCc2cc(Cl)c3c(c2)OCCCO3)nnc1-c1ccncc1 532019304 IXVSABLSMXZLTR-UHFFFAOYSA-N 428.945 5.023 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3csc([C@@H]4CCCO4)n3)cc2Cl)c1 534427398 HTSRPHHGSPMIBM-FQEVSTJZSA-N 439.924 5.351 30 20 IKED CC(C)(C)c1cc(NC(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)c(C#N)s1 536972762 OTUVQQBLNGVMCP-UHFFFAOYSA-N 438.574 5.143 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3C3CCOCC3)cc2Cl)cc1 540818291 XWKPRPIJUPSRIW-OAQYLSRUSA-N 425.916 5.427 30 20 IKED C[C@@H](C(=O)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl)n1cnc(C#N)n1 544001970 VULWTECGCPRQLS-JTQLQIEISA-N 436.686 5.102 30 20 IKED Cc1ccc(C2CCN(C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)CC2)cn1 544015409 QKQSSUYGIJZDRU-UHFFFAOYSA-N 431.923 5.727 30 20 IKED C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 549249464 CDAYPGFYXYMYMU-LJQANCHMSA-N 444.366 5.109 30 20 IKED C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 554444467 KOSZLVUSRLODBS-QGZVFWFLSA-N 442.523 5.208 30 20 IKED CSc1ccc(-c2nsc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)n2)cc1 565564938 BVJSFPFIGRUURQ-OALUTQOASA-N 435.578 5.231 30 20 IKED FC(F)(F)c1cc([C@@H](NCc2nnc3n2CCCC3)C(F)(F)F)cc(C(F)(F)F)c1 566994986 MPQPYVMTWFSYLN-CQSZACIVSA-N 446.317 5.045 30 20 IKED Cc1ccc(-c2nc(Cc3noc([C@H]4CCN(c5ccc(C#N)cc5F)C4)n3)cs2)cc1 576072023 SBGLXNJWJXMPCJ-SFHVURJKSA-N 445.523 5.097 30 20 IKED C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N(Cc1ccc2ccccc2c1)C1CC1 579409718 DOSCGEIXTWBPEO-UHFFFAOYSA-N 448.530 5.102 30 20 IKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)Nc1ccc(CC#N)cc1)CC2 603650928 NUAVOWWBZORGLN-QHCPKHFHSA-N 433.533 5.011 30 20 IKED Cc1nc(COc2cccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c2)cs1 603764838 NUJYHKGUXNWJKN-UHFFFAOYSA-N 442.500 5.342 30 20 IKED Cc1nc(-c2ccc(CNC(=O)c3ccc(COc4ccccc4C#N)o3)cc2)cs1 603832767 DSGVPMUYYCXMSW-UHFFFAOYSA-N 429.501 5.092 30 20 IKED N#C[C@H](Cc1ccccc1)Sc1nc2ccccc2c(=O)n1Cc1ccccc1Cl 604032971 BPZSYPWWVMCYRL-IBGZPJMESA-N 431.948 5.325 30 20 IKED C[C@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604153018 BARSCHIJBZVKRJ-VGSWGCGISA-N 431.923 5.154 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3cccc4c5c([nH]c34)CCCC5)s2)cc1 604171872 ZSYHMLZPVXWLLS-UHFFFAOYSA-N 445.573 5.314 30 20 IKED CC(C)c1noc(CCCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1 604536994 BFVQGNJCCYIFQV-IBGZPJMESA-N 437.931 5.256 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2OC(C)C)cc1 605338178 RJHLTLYSKDBLCR-UHFFFAOYSA-N 427.932 5.585 30 20 IKED C[C@@H]1c2c(F)cccc2CCN1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 606641871 AWNOKBBVORKVJJ-ZZVYKPCYSA-N 426.376 5.364 30 20 IKED N#CCCn1cc(C(=O)CSc2nnc(-c3ccc(Cl)s3)o2)c2ccccc21 607439125 ZCPLWQLBTBMXKA-UHFFFAOYSA-N 428.926 5.295 30 20 IKED C/C=C/c1ccc(OCC(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c(OC)c1 609028545 CNVMRSMZKZQUHP-CMEAPCDJSA-N 442.515 5.067 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1 609377354 VNHMMNXQYXTKHC-MWTRTKDXSA-N 438.499 5.975 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(C)c(Oc2ccncc2)c1 609644100 VKYPLILVBSSUJI-UHFFFAOYSA-N 449.510 6.194 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCN(Cc3cccs3)CC2)c1 609729549 DMYVRDGHXFJWNH-UHFFFAOYSA-N 437.952 5.023 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3ccc(O)cc3CC2)cc1Cl 609928408 WUAYXYZWYXDQGJ-QHCPKHFHSA-N 431.923 5.334 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 609928752 HAROMFKQKMPRDU-OAQYLSRUSA-N 429.495 5.895 30 20 IKED CN1CCC[C@H](CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@H]1c1cccs1 610180722 OVCPSOCYJGXUBW-RDGATRHJSA-N 445.588 5.012 30 20 IKED CC(=O)c1ccc(C#N)c(N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c1 680373615 IFHQZXZQUJDIQA-VWLOTQADSA-N 444.579 5.454 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@H](C#N)c1nccc2ccccc12 682994219 GCYSIBPACPXHIE-GOSISDBHSA-N 437.446 6.176 30 20 IKED Cc1cc(NC(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)cc(C(F)(F)F)c1 683134298 OBFSXBROUPHQIL-UHFFFAOYSA-N 432.299 5.005 30 20 IKED O=C(c1cc2ccccc2n1CC(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 683734624 ISJIEUFILTXCAY-VXGBXAGGSA-N 446.313 5.407 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 684800005 YOTFMHDXGZVIQN-FIRSBJHFSA-N 448.329 5.169 30 20 IKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc(Cl)s2)[n+]2ccccc2)cc1Cl 726572307 XVJOIQVLTGLNMZ-UHFFFAOYSA-O 433.365 5.537 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)c(C)cc2C)[n+]2ccc(CC)cc2)c1 726573813 RFIBBYANALJDSJ-UHFFFAOYSA-O 427.593 5.766 30 20 IKED COc1ccc(N2CCC(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)cc1 726699361 LYMASPLKUOGQCX-UHFFFAOYSA-N 442.519 5.150 30 20 IKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=S)Nc1ccc(C#N)c(Cl)c1 727980230 GSLWJAROHVHXMX-UHFFFAOYSA-N 425.916 6.047 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c1 728181653 UWBIOPIRPMOJTI-UHFFFAOYSA-N 440.524 5.730 30 20 IKED C#Cc1cccc(N(C)C(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)c1 728481913 UPNZIWBYDMOKHW-UHFFFAOYSA-N 426.900 5.359 30 20 IKED COc1ccc(-c2nnc(CON=C(C)c3ccc(OCc4ccc(F)cc4)cc3)o2)cc1 729675419 FVVXCAMUYFEHDI-UHFFFAOYSA-N 447.466 5.404 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)CCCC(=O)N2 730995754 SGXOTKCYEWDKPQ-UHFFFAOYSA-N 433.455 5.238 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC[S@@](=O)c3ccccc3)n2)o1 733754324 XBNUHGNDBIXLSY-GDLZYMKVSA-N 436.480 5.440 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2N2CCc3ccccc32)c1 733842943 GCGRYZMGLFPLOU-OAQYLSRUSA-N 426.520 5.383 30 20 IKED C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1cccc(COc2ccccc2C#N)c1 734103589 VKDOXHLGCVEGIP-GOHWNWGWSA-N 426.516 5.128 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN(CCc2ccc(Cl)cc2)CC2CC2)c1=S 735074627 SKDHYTBVTPGIIK-UHFFFAOYSA-N 440.016 5.228 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)OCc2cc3ccccc3nc2O)c1 735165225 BZMFBPVYIIBLRR-UHFFFAOYSA-N 430.847 5.615 30 20 IKED C[C@@H](C#N)Oc1ccc(/C=C2/CC(C)(C)C/C(=C/c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1 736433627 HRVHRSABEOSHIT-ZYYOFHRQSA-N 440.543 6.124 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](O)c2ccccc2Cl)cc1Cl 741061427 VTWITDHJMRPCLP-UGKGYDQZSA-N 440.330 5.504 30 20 IKED COC(=O)[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(C#N)cc1 741736502 UBWLGYSYOPCONR-HSZRJFAPSA-N 426.497 5.887 30 20 IKED C[C@@H](OC(=O)c1nc(-c2ccccc2)oc1-c1ccccc1)C(=O)Nc1cccc(C#N)c1 744994942 RDLWEASLMMXNNG-QGZVFWFLSA-N 437.455 5.064 30 20 IKED CCCN(CC(=O)[C@@H](C#N)c1nc2ccccc2s1)Cc1ccccc1Br 746143444 GWGADLZLRDIMSI-MRXNPFEDSA-N 442.382 5.147 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc(OC)c(OC)c1)C(=O)c1ccccc1 747149722 GKQWSYSSRNERCA-QJOMJCCJSA-N 443.543 5.734 30 20 IKED Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)OC(=O)c4sccc4C#N)cc3)sc2c1 748099931 GGQVWLJYBPMTFD-CQSZACIVSA-N 447.541 5.389 30 20 IKED C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cc(OC)c(OCC)c(OC)c3)c12 750906100 PWLVWYCHVLFYRS-OUKQBFOZSA-N 445.519 5.095 30 20 IKED N#CCOc1cccc(CC(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)c1 760406002 QRCMGSHEFYSQQY-UHFFFAOYSA-N 444.878 5.159 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(SC)c(Cl)cc2Cl)ccc1OC 760536394 IRUVBGDXZBDLRZ-CYBMUJFWSA-N 439.364 5.335 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CCCN1Cc1ccc(F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 768781498 BWYITYSLTMADRG-WMZOPIPTSA-N 447.457 5.295 30 20 IKED Fc1cccc(F)c1-c1csc(CON=Cc2cccc(OCc3ccncc3)c2)n1 774750352 LILMNUNJNJBXOU-UHFFFAOYSA-N 437.471 5.613 30 20 IKED C[C@H](Sc1nc(C(F)(F)F)ccc1C#N)C(=O)Nc1ccc(N2CCCCC2)cc1 777569151 FFTNYWDWXKOLJE-AWEZNQCLSA-N 434.487 5.082 30 20 IKED Cc1csc([C@H](C#N)C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc3ccccc3c2)n1 779188401 AUJQVLRZBMQRHG-MALNDZBISA-N 443.572 5.255 30 20 IKED COc1ccc(SCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 781458479 KWXKQGVSILRGKH-HXUWFJFHSA-N 438.574 5.576 30 20 IKED COc1cc(Br)ccc1CCC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 782583188 OXBHDRJZPGBWAM-AWEZNQCLSA-N 448.267 5.012 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2cccc(OC3CCCC3)c2)cc1 783214066 YFBVQZGRONKDJI-VWLOTQADSA-N 439.515 5.241 30 20 IKED Cc1ccc2cc(C(=O)[C@H](C#N)C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)ccc2n1 787048951 JFBURMLTNJVMGK-ACJLOTCBSA-N 426.303 5.050 30 20 IKED Cc1nc(CC(C)C)sc1C(=O)[C@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 787050079 OHKMDUGZDICSOJ-NHYWBVRUSA-N 438.380 5.157 30 20 IKED C[C@H](NC(=O)NCc1ccc(C#N)cn1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 790511201 WIRPBPVPXQARDO-ZDUSSCGKSA-N 430.455 5.261 30 20 IKED CN(C)C(=O)c1ccc(C(=O)/C=C/c2cc(Br)cc(C(F)(F)F)c2)cc1 792926865 RTVZGSBGXVNARH-FPYGCLRLSA-N 426.232 5.066 30 20 IKED COC(=O)c1cc(NN=Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)ccc1C 793090213 OIFFKWMCRBJHMR-UHFFFAOYSA-N 442.928 5.022 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2ccccc2-c2ncc3n2CCCC3)cc1OC 798241164 SMGBPWIUJJKOTA-OWBHPGMISA-N 429.520 5.112 30 20 IKED CC(=NNc1ccc(C#N)cc1C(F)(F)F)c1ccc(CNC(=O)OC(C)(C)C)nc1C 799493032 YJIBCWCJULMNED-UHFFFAOYSA-N 447.461 5.141 30 20 IKED CC(C)(CC(=O)c1ccccc1)CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 799602045 FJUXDRZEUKWMMW-MRXNPFEDSA-N 431.319 5.330 30 20 IKED CC(C)(C(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1cc(F)cc(C#N)c1 803925581 SNUPUXVHWHJREU-UHFFFAOYSA-N 443.689 5.117 30 20 IKED C[C@H](OC(=O)/C=C\c1ccccc1C#N)C(=O)N1c2ccccc2Sc2ccccc21 857993056 KKIZKUYYASJYRC-XUZQSEFNSA-N 426.497 5.333 30 20 IKED C=CCCO[C@H](C)c1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1 904668454 JPUWGZHWPFVERF-GFCCVEGCSA-N 439.821 6.250 30 20 IKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(-c2nc([C@H]3C[C@H]3C)no2)ccc1Cl 904822225 XIRVHCXOMIBVDI-DYVFJYSZSA-N 447.919 5.034 30 20 IKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 916212056 RKBAYZRKEYMXQH-KRWDZBQOSA-N 435.471 5.076 30 20 IKED N#C[C@@H](C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2n1 916848673 MSUNYEQFVCPJOR-IIBYNOLFSA-N 438.314 5.023 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cc1 916914689 RCYROVZWHIWGGY-OAQYLSRUSA-N 434.927 5.138 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 916953758 DQEHEEPTJCSWCN-IIBYNOLFSA-N 443.551 5.364 30 20 IKED C=CCN(Cc1ccc(OC)cc1)Cn1nc(-c2ccccc2)n(Cc2ccco2)c1=S 917484981 GJVRQBVBTCDDEH-UHFFFAOYSA-N 446.576 5.377 30 20 IKED Cc1oc(-c2cccs2)nc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 917806190 WCSATQKPPGPIJW-UHFFFAOYSA-N 429.501 5.609 30 20 IKED C[C@H](OC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)Nc1sc2c(c1C#N)CCCCC2 919368682 IKSXLNMLUYYALW-BFHYXJOUSA-N 442.503 5.128 30 20 IKED COc1ccc(OCc2nc(/C=C/C(=O)c3cc(Cl)sc3Cl)cs2)cc1 920064118 PJLQRBKEYBYQDQ-FARCUNLSSA-N 426.346 5.995 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@H]4C4CC4)cc3)CCC2)c1 1786058262 GLVGMAPCEJQZKV-CQLNOVPUSA-N 427.548 5.107 30 20 IKED Cc1cc2cccc(C(=O)NC3(c4ccc(NC(=O)[C@@H](S)C(C)C)cc4)CCC3)c2[nH]1 1786393985 PSKXTBCBQLRDCI-QFIPXVFZSA-N 435.593 5.178 30 20 IKED CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCC2)cc1 1787698661 UQCCCBBOOCMMFW-UHFFFAOYSA-N 429.442 5.125 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)nc4Cl)cc3)CCC2)C1 1789705308 OCOJUXPIVYGGPJ-UHFFFAOYSA-N 430.335 5.102 30 20 IKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1sc3ccccc3c1Cl)C2 1801695018 LHRUDJSOHCLHGO-BTTYYORXSA-N 438.927 5.018 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)cc(C)c2)[C@@H]1c1cccnc1 1810501631 CDDJAMTWSIZIPJ-ISKFKSNPSA-N 433.596 5.010 30 20 IKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccccc2)[C@@H](C)CC)n[nH]1 1816848332 GKQRKJDMWLROKZ-SWHJIRTISA-N 434.584 5.035 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC(F)(F)F)CC1 1828820719 DFIIIEOCIAPVCS-VQTJNVASSA-N 428.539 5.107 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 1829066845 WKINTVPJIIEGDW-XMMPIXPASA-N 435.612 5.394 30 20 IKED CC(C)OCCCn1c(SCc2cccc(C#N)c2)nc2cc(Cl)ccc2c1=O 9014407 AYGXJGYLZHJBAF-UHFFFAOYSA-N 427.957 5.029 30 20 IKED O=C(/C(=C(\S)Nc1ccc(F)c(Cl)c1)[n+]1ccc2c(c1)CCCC2)c1ccccc1 10756160 JNVUXEAIKSZNMB-UHFFFAOYSA-O 439.963 5.696 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Br)cc2)[n+]2ccccc2)cc1F 14872353 DMARGLXSEJMHSQ-UHFFFAOYSA-O 444.349 5.235 30 20 IKED N#CCCn1cc(C(=O)COC(=O)c2ccc(C3SCCS3)cc2)c2ccccc21 15127106 YEGKDYYDCXWREB-UHFFFAOYSA-N 436.558 5.073 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(C)cc3)n2)nnc1[C@@H]1COc2ccccc2O1 25354135 YEHIMVNJZXXVSQ-NRFANRHFSA-N 446.532 5.232 30 20 IKED Cc1ccccc1NC(=O)C(=Cc1ccc(O[C@@H](C)C#N)cc1)C(=O)Nc1ccccc1C 110971984 UXMPLACGJGWXCQ-FQEVSTJZSA-N 439.515 5.255 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1oc2ccccc2c1CSc1ncccn1 116320332 UVIWDZTXNIOYLR-UHFFFAOYSA-N 444.516 5.426 30 20 IKED C=CCn1c(S[C@@H](C)c2nc3ccccc3n2C(F)F)nnc1-c1ccccc1F 217801025 GHRVWSHKKYVALI-ZDUSSCGKSA-N 429.471 5.868 30 20 IKED COCCOc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c(C)c1 303627053 FCFHIDMDEQNTCW-UHFFFAOYSA-N 436.895 5.590 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Br)c2c1OCCC2 426325831 WUTOCIXNJJQAMT-CYBMUJFWSA-N 431.355 5.421 30 20 IKED CCCn1ccnc1CCCN(C)C(=O)c1ccccc1SCc1ccc(C#N)cc1 430493252 OHUQLXKHSOHQPE-UHFFFAOYSA-N 432.593 5.162 30 20 IKED N#CCCC[C@H](NC(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F)c1ccccc1 432796514 HPFCFCUZUJJKBB-NRFANRHFSA-N 446.530 5.367 30 20 IKED CC(C)(NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1cc(C(F)(F)F)on1 432805841 QRHORQPXLMGSBU-UHFFFAOYSA-N 430.386 5.414 30 20 IKED N#CCCN(Cc1ccco1)C(=O)C(=O)Nc1ccc(Cl)cc1-c1cccc(Cl)c1 435008215 KAGIRNMZSXUXBW-UHFFFAOYSA-N 442.302 5.134 30 20 IKED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1C 436382806 KLVDLSIQLHLPKX-DYESRHJHSA-N 427.932 5.003 30 20 IKED CC(C)(C)Oc1ccc(NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 437805708 VKGDJXUFUXNQRL-UHFFFAOYSA-N 439.566 5.523 30 20 IKED CC(C)N(Cc1cc(Br)ccc1F)C(=O)N[C@@H](CCC#N)c1ccccc1 440245580 QZNBHAWMXXTCJD-FQEVSTJZSA-N 432.337 5.553 30 20 IKED COc1cc(CN[C@@H](C)c2nc(-c3ccc(Br)cc3)cs2)ccc1C#N 440631267 XLISJXSUZPDTKJ-ZDUSSCGKSA-N 428.355 5.304 30 20 IKED N#CCCN(C(=O)CN[C@@H](c1cccc(Cl)c1)c1ccccn1)c1cccc(Cl)c1 441040963 YVCWCDYBJLBJOZ-QHCPKHFHSA-N 439.346 5.014 30 20 IKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)cc1 442063479 MNESYYYYRCNKMW-OXJNMPFZSA-N 444.000 5.434 30 20 IKED N#Cc1cc(NC(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)ccc1OC(F)(F)F 442212703 YLKMGVONPADOIW-INIZCTEOSA-N 449.820 5.356 30 20 IKED Cc1nc(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2)cs1 442513122 SRPULCNKUIPAJO-HNNXBMFYSA-N 437.496 6.010 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cn(CCCC#N)c2ccccc12 443948569 NKAHLRKLVHEGBV-UHFFFAOYSA-N 435.487 5.565 30 20 IKED Cc1c(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cnn1C1CCCC1 444899096 HICMVLNICWCZRK-UHFFFAOYSA-N 433.487 5.540 30 20 IKED Cn1cc([C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C(F)(F)F)cn1 446134230 CXBXSIAEVRLWRW-IEBWSBKVSA-N 447.848 5.154 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC(=O)Nc1c(C)cccc1C 460784653 SWKYZGJBKGULTB-UHFFFAOYSA-N 441.938 5.005 30 20 IKED Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3occc3COc3cccc(C#N)c3)cc2)n1 461570721 VRIMOJJVTLQRHI-LJQANCHMSA-N 440.503 5.024 30 20 IKED N#Cc1c[nH]c2ccc(Cl)cc2c1=NCc1cn(-c2ccccc2)nc1-c1ccncc1 462820888 XRAHTENKXGNMPJ-UHFFFAOYSA-N 436.906 5.042 30 20 IKED C=CC1CCN(C(=O)CC(CC(=O)N2CCC(C=C)CC2)c2ccc(Cl)cc2)CC1 463834200 DRADCYYABYXNCY-UHFFFAOYSA-N 429.004 5.053 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)nn1-c1ccc(Cl)cc1Cl 464415312 VIXDUDUQZJWOIP-CYBMUJFWSA-N 439.224 5.391 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)c1cc(C(F)(F)F)ccn1 464476176 WZKJWBNLTFVCRX-GFCCVEGCSA-N 425.197 5.083 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)c1ccc(C#N)s1 466916920 YDKHFOIDWDJUAB-JTQLQIEISA-N 432.368 5.305 30 20 IKED C[C@@H]1C[C@@H](N(C)C(=O)c2cn(CCCC#N)c3ccccc23)CCN1Cc1ccccc1 469465940 CRNMFNPHBFIVGQ-GGAORHGYSA-N 428.580 5.070 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)CC3CCC(c4ccccc4)CC3)ccc21 469957513 VZYBCVVPRPHKBA-UHFFFAOYSA-N 429.564 5.572 30 20 IKED Cc1cc(O[C@H](C)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)ccc1C(C)C 469976087 XZTKDIWXEVXAIR-LJQANCHMSA-N 433.552 5.107 30 20 IKED O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N[C@@H](c1cccc(Cl)c1)c1ccccn1 472630251 NPQCTAHPPHFHHR-NRFANRHFSA-N 443.856 5.194 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccnn1Cc1cccc2ccccc12 481692763 VOWWOJJTSLNVRS-UHFFFAOYSA-N 442.567 5.472 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N2C[C@@H](C)C[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 483012089 FEPKBSNWWUCSKU-MGPUTAFESA-N 431.458 5.236 30 20 IKED CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1sc(-c2ccccc2)cc1C#N 483015450 PGMVFGCBZLYITN-UHFFFAOYSA-N 428.517 5.514 30 20 IKED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)cc1 483448121 PHOFIHQVCBJAPN-QVKFZJNVSA-N 445.972 5.079 30 20 IKED COc1cccc(-c2cc(NC(=O)c3ccccc3Sc3ccccc3C#N)n(C)n2)c1 486430540 HEUMARZTXDGOPB-UHFFFAOYSA-N 440.528 5.371 30 20 IKED C=CCC[C@H](C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1ccccc1 489022979 YGVZFDMAZWXADX-VWLOTQADSA-N 433.573 5.490 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc(Cl)c3C)o2)cc1 489792795 POYBJAWTVDSXTG-CQSZACIVSA-N 429.929 5.383 30 20 IKED C=CCC[C@@H](C(=O)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn23)C1)c1ccccc1 494884983 CSOJLSRLJRFJFT-AZUAARDMSA-N 442.485 5.204 30 20 IKED COc1ccc([C@H](CNC(=O)Nc2cc(C#N)ccc2OC)c2c[nH]c3ccccc23)cc1 495435604 YJHVAUCEDKBTKE-NRFANRHFSA-N 440.503 5.010 30 20 IKED CC(C)Cn1ncc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1C(C)C 501606668 NBFCMBTYGJPFLY-UHFFFAOYSA-N 432.593 6.079 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cc(F)ccc3OC[C@@H]3CCCO3)c2)cc1 502394227 RODGPFBBVMCAGE-QFIPXVFZSA-N 432.451 5.300 30 20 IKED N#C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1c(Cl)cccc1Cl 505511710 GUJUOXPOQREACD-MRXNPFEDSA-N 434.710 5.615 30 20 IKED C=CCN(Cc1cccs1)C(=O)N[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C 506173070 AGIANSKLPIKWID-INIZCTEOSA-N 427.595 5.647 30 20 IKED CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 507909520 RIROUVTZGSSNGL-MRXNPFEDSA-N 431.517 5.428 30 20 IKED C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CC[C@@H](CC(F)(F)F)C1 508697439 JMOMOXYGARMKQQ-SFHVURJKSA-N 442.485 5.489 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(Cl)c4ncccc34)c2)c1 509542855 NKMLOAHZBPRIFM-UHFFFAOYSA-N 426.863 5.264 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCCCC[C@@H]3c3ccccc3)s2)cc1 510238570 RXIJLINWKNWTMB-HXUWFJFHSA-N 449.605 5.851 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)cc1 510620149 QYYZJUFIUYRSTG-RUZDIDTESA-N 443.522 5.551 30 20 IKED C[C@H](CC#N)NC(=O)c1cc(/C=C\c2cccs2)nc2ccc(Br)cc12 512013181 ZDSGAZLWCWCWBN-CFHLNLSMSA-N 426.339 5.261 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1csc(-c2ccc(OC)cc2OC)n1 512522298 RNJSQWCFMPGBFL-UHFFFAOYSA-N 426.586 5.183 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(C)nn(Cc4ccccc4)c3C)n2)cc1 516270400 WTWJRGMPVHDGCT-NRFANRHFSA-N 442.544 5.170 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccccc4Cl)o3)n2)cc1 518516515 IDDZGKKGOVGRBG-QGZVFWFLSA-N 434.904 6.222 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C 522427829 LMONYYFDDQYEDB-RDPSFJRHSA-N 425.532 5.856 30 20 IKED CCCC(=O)Nc1cccc(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1C 524258146 JWWLLXZXCIWYEQ-UHFFFAOYSA-N 434.540 5.117 30 20 IKED CC(C)[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1nc(C2CC2)no1 524404849 UWRBFHARYCVQSF-JOCHJYFZSA-N 447.514 5.067 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N[C@H]3C[C@@H]3c3c(F)cccc3Cl)s2)cc1 525439757 JAORXBFJEHDZTE-YJBOKZPZSA-N 426.904 5.076 30 20 IKED CC(C)c1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1-c1ccccn1 534660854 NPZFHSRWUYJBEH-CQSZACIVSA-N 449.486 5.282 30 20 IKED N#CC1(NC(=O)CSc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)CCSCC1 536069878 BFKFSRBGCFIUCD-UHFFFAOYSA-N 444.581 5.049 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCC2CCN(c3ccncc3)CC2)c1 539004005 WVVHIFTVVZIKEO-UHFFFAOYSA-N 446.938 5.045 30 20 IKED CCOc1ccccc1Oc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cn1 541513860 NVEIAYVLPBFWHW-UHFFFAOYSA-N 442.519 5.018 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)n1 542004534 HDKHHXIIJLGDPD-UHFFFAOYSA-N 444.804 5.078 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)c3ccc(Cl)cc3Br)n2)c(Cl)c1 542041360 JETBKDZWDGGZDS-UHFFFAOYSA-N 436.096 5.066 30 20 IKED N#Cc1ccc(-c2nnc(CN[C@H](c3ccccc3)c3cc(Cl)ccc3Cl)o2)cc1 542220379 JRBSXFZTRNGPIB-JOCHJYFZSA-N 435.314 5.794 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NCc1ccc(CC#N)cc1 543498463 CJTDGVFLLJAPGK-CQSZACIVSA-N 426.383 5.798 30 20 IKED Cc1nc(O)cc(-c2ccc(NC(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc2)n1 543861733 XNBBUQVLVBVCPE-QGZVFWFLSA-N 449.514 5.579 30 20 IKED C=CCn1c(Sc2ncnc3cc(F)c(Br)cc23)nnc1-c1ccoc1C 545868263 CILVPAYRRMCPCB-UHFFFAOYSA-N 446.305 5.029 30 20 IKED N#Cc1cccc(C2(c3nc(-c4ccc(Br)cc4OC(F)F)no3)CC2)c1 547195099 CJMRKLCHHBWQCQ-UHFFFAOYSA-N 432.224 5.052 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 548941989 RZZASQRQWVVNML-OAQYLSRUSA-N 443.469 6.245 30 20 IKED N#CCCC[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1)c1ccccc1 556624532 GAYFMYQCDLCTGZ-QFIPXVFZSA-N 433.458 5.122 30 20 IKED C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC#N)CC2)n1Cc1cccs1 559163653 DIIMEGICNYOWNJ-MRXNPFEDSA-N 441.988 5.311 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N(C)c1ccc(Cl)c(C(F)(F)F)c1 571125386 ZNOFEIWPLRDAKU-UHFFFAOYSA-N 426.822 5.061 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1)[C@H]1C[C@@H]1C 571475187 MCOUOBXZKTYLJK-QYBDOPJKSA-N 439.515 5.151 30 20 IKED CC1(C)CC(=O)c2cc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)ccc2O1 572788602 CTMCQZGFKBMLKJ-UHFFFAOYSA-N 442.540 5.847 30 20 IKED C[C@](C#N)(NC(=O)CSc1ncnc2scc(-c3ccccc3)c12)C1CCCCC1 573353915 HRSJVKPIJQPAJE-HSZRJFAPSA-N 436.606 5.429 30 20 IKED N#Cc1cc(NC(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)ccc1Oc1ccccc1 577914926 JYJTXOSQUGZXDR-NRFANRHFSA-N 443.507 5.760 30 20 IKED N#C[C@@H](C(=O)c1oc2ccccc2c1CSc1ncccn1)c1ccc2ccccc2n1 587988748 NJEKLLGQBTUTFL-GOSISDBHSA-N 436.496 5.553 30 20 IKED N#C[C@@H](C(=O)c1csc(Cc2ccc(F)cc2)n1)c1nc2cc(Cl)ccc2s1 589019390 RAEGMCFUFYDRAI-AWEZNQCLSA-N 427.913 5.626 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1nc2cc(F)ccc2s1 592973584 BTUNTNUXCMXXOE-GFCCVEGCSA-N 431.279 5.418 30 20 IKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 592973715 JIFYMSAPWNXKMH-LLVKDONJSA-N 446.290 6.196 30 20 IKED CCCn1c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)nc2ccccc21 603450372 VWAQXOFTEFQSSA-UHFFFAOYSA-N 426.545 5.863 30 20 IKED CC(C)(CNC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)cc1Cl 603538331 ZNPBKSSJEQRNMK-QWRGUYRKSA-N 448.810 5.529 30 20 IKED N#CCc1ccc(NC(=O)c2ccccc2SCc2ccc(Br)cc2)cc1 603731902 GABGHZIYRPLSCT-UHFFFAOYSA-N 437.362 6.060 30 20 IKED Cc1cccc([C@@H](CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)NC(N)=O)c1 604027182 MBRLISOEIJHSFZ-OAQYLSRUSA-N 448.910 5.051 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCc4c(Br)cccc4C3)cn2)c1 604554434 BHQPZRXLMFKTBI-UHFFFAOYSA-N 449.308 5.098 30 20 IKED CCOc1ccc(/C=C2/CC(O)(C(F)(F)F)C/C(=C\c3ccc(OCC)cc3)C2=O)cc1 606376476 VYWCULQYUXXSLQ-LRVMPXQBSA-N 446.465 5.607 30 20 IKED CCO[C@@H](C)c1ncc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1 608552925 VJMHUCOVOQPEMI-GXSJLCMTSA-N 425.457 5.359 30 20 IKED Cc1cc(C)n2nc(C)c(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c2n1 609032167 SEWRFLOJFZAQEN-HXUWFJFHSA-N 429.911 5.216 30 20 IKED CCc1c(C)sc(NC(=O)c2c(C)nc(-c3ccc(F)cc3)nc2SC)c1C#N 609032346 CBIFRMHFGYVHKG-UHFFFAOYSA-N 426.542 5.369 30 20 IKED Cc1ccc(-c2nc(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)cs2)o1 609061250 MRJWNAAQWRNGNV-UHFFFAOYSA-N 443.528 5.652 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609078165 DVDZPGNNYFDNQV-UHFFFAOYSA-N 436.515 5.537 30 20 IKED N#CCn1c(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2Cl)cc2ccccc21 609215608 GDVQKMIFXNCASO-UHFFFAOYSA-N 444.926 5.055 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC(C)(C)c1ccc(Br)cc1 609399427 WDQOWPWLGKGHOW-AWEZNQCLSA-N 432.387 5.758 30 20 IKED CCCN(C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H](C)c1cc2ccccc2o1 609403291 KHWLVWPOEOLLDM-ROUUACIJSA-N 449.576 5.623 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)cc2)cc1 609514228 LHDRLUMWOQFYII-SANMLTNESA-N 425.532 5.112 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2(c3nccs3)CCCC2)cc1Cl 609711664 JUOXATBOVZLPDZ-IBGZPJMESA-N 436.968 6.043 30 20 IKED CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 610331082 PPDBVJXCDUATBZ-UHFFFAOYSA-N 446.404 5.468 30 20 IKED Cc1cc(NC(=O)N2CCC[C@@](C)(C#N)C2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 612578705 JUUHKAIUIMLUEX-SFHVURJKSA-N 425.842 5.011 30 20 IKED O=C(NCC1(c2ccc(F)cc2)CCC1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 623854364 AQFZKAZJGQLIIJ-ZIAGYGMSSA-N 426.376 5.020 30 20 IKED CCOc1cc(CN2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)ccc1OCC(F)(F)F 678298112 QKKYZIUCDJCCKU-TXEJJXNPSA-N 439.318 5.199 30 20 IKED O=C(CCCCC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)cc1 681716790 OSNNYSYKYXPKTD-KBPBESRZSA-N 427.360 5.158 30 20 IKED N#C[C@@H](C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1nc2cc(F)ccc2s1 684008982 PSOYXZAMMHHKBQ-AWEZNQCLSA-N 425.391 5.391 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(OC)c(NC(C)=O)c2)ccc1OCc1ccccc1 726429757 VVNDEELOGXTEHN-RAXLEYEMSA-N 445.515 5.527 30 20 IKED N#C[C@H](C(=O)CCc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(Cl)cc1Cl 727627009 JRPCJYNFCWIULB-CQSZACIVSA-N 445.224 5.172 30 20 IKED COc1ccccc1-c1csc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)n1 728307905 VNLKVESHQFTXHM-UHFFFAOYSA-N 428.517 5.350 30 20 IKED CCOc1ccc(-n2c(-c3ccccc3Cl)nn(CN(C)[C@H](C)CC#N)c2=S)cc1 728901912 DRRJDBARCMUPQB-MRXNPFEDSA-N 441.988 5.314 30 20 IKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(C2CCC2)C1=O 730460206 VCAIPRQKAWTNAY-IBGZPJMESA-N 445.947 5.300 30 20 IKED O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 730833958 VCQPEBPYDMVARW-AWEZNQCLSA-N 445.281 5.206 30 20 IKED COc1cc(/C=C2/Cc3ccc(C)cc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 730949200 QWPURYLVSWPLIK-UNOMPAQXSA-N 447.918 5.497 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(Cl)nc2ccccc12 731065867 NWKLXXTYHFMAAZ-CQSZACIVSA-N 439.924 5.078 30 20 IKED Cn1c(CC(=NOCc2cc(-c3ccc(F)cc3)no2)c2ccccc2)nc2ccccc21 731664315 JJAHNOUPCNFCNJ-UHFFFAOYSA-N 440.478 5.531 30 20 IKED C[C@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 732377185 CJVBNTNYHZKKRL-GOSISDBHSA-N 446.478 5.060 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC2(N3CCSCC3)CCCCC2)cc1 732696473 JRUYYPJYDUCHDA-DEOSSOPVSA-N 448.636 5.215 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)OC(=O)Cc1ccc(OCC#N)cc1 734729693 PLTUWFLOBIIYFW-OAHLLOKOSA-N 426.925 5.521 30 20 IKED Cc1ccc(-n2nc(C)c(CC(=O)[C@@H](C#N)c3nc4cccc(C)c4[nH]3)c2C)cc1Cl 735787907 GVFHMFCDMXLKAW-LJQANCHMSA-N 431.927 5.055 30 20 IKED C[C@@H](OC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)N(CCC#N)c1ccccc1 738740579 AZUIWQBOWZRIGF-IAGOWNOFSA-N 432.442 5.078 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)c1 740786989 SLWWAGNJFBAGOV-QGZVFWFLSA-N 443.931 5.298 30 20 IKED O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccncc1)c1cccc(-c2ccncc2)c1 741472076 DYHUROBPXCARDP-KTKRTIGZSA-N 428.495 5.892 30 20 IKED N#CCSc1ccccc1NC(=O)CNc1ccc(Cl)cc1[C@H](O)c1ccccc1 741753580 GSQQYBPCBNIVSU-HSZRJFAPSA-N 437.952 5.088 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1ccc2ccccc2n1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 744015453 RNZVKLXYFXGCEJ-XTQVGHSUSA-N 429.520 5.313 30 20 IKED O=C(Nc1cccnc1)/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)c1ccccc1 746006876 WMEFUYIDRGGOQT-QNGOZBTKSA-N 439.427 5.155 30 20 IKED C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 746659595 LNCVRPQXVMUNCY-HRAATJIYSA-N 438.358 6.874 30 20 IKED CC(=NNC(=S)Nc1ccccc1C(F)(F)F)c1sc(-c2cccnc2)nc1C 747606748 AOIYQEYLSKYMGK-UHFFFAOYSA-N 435.500 5.243 30 20 IKED C/C(=C/C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 748390756 WSDIVTHJBBDPGT-FCFCDCELSA-N 448.416 5.126 30 20 IKED C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 748535917 QVLWLCSUKQFXOI-RXFWQSSRSA-N 439.563 5.084 30 20 IKED CC[C@H](C)Oc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 750684233 ODFVSPKFXMZFSQ-PGRDOPGGSA-N 428.488 5.617 30 20 IKED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)CS[C@H](c3ccccc3)c3ccc(Cl)cc3)nc12 750730347 PSHCLISNCWXSNW-SIKLNZKXSA-N 446.963 5.619 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)cc1C#N 752194032 MRUPECRMGPVKJR-UHFFFAOYSA-N 446.941 5.146 30 20 IKED Cc1cc(CCCC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c(C)s1 753390906 UDOQFHTVRXKWCU-INIZCTEOSA-N 425.579 5.153 30 20 IKED Cc1cccc(COc2cccc(NC(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)c2)c1 761856160 IFBFYSAMLJCRLH-VWLOTQADSA-N 427.504 5.051 30 20 IKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H]1CCC(F)(F)C1 763196776 WYYPVIABGWDEGK-PKOBYXMFSA-N 443.519 5.143 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H]2CCCc3nc(-c4ccccc4)sc32)ccc1OC 772986017 MPBZJZXCNPHUSC-PMACEKPBSA-N 433.577 5.667 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2nccnc2C(C)C)cs1 773085140 FQXYZWGMEIGRID-UHFFFAOYSA-N 448.474 5.206 30 20 IKED CCC[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1cccc(C(F)(F)F)c1 775324910 RTWUPLHAHFINBU-OALUTQOASA-N 438.453 5.373 30 20 IKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1coc(-c2ccccc2Cl)n1 776518052 URZHGRCHLAHHHJ-AWEZNQCLSA-N 434.666 5.263 30 20 IKED C=CC[C@H](C(=O)O[C@@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)c1ccccc1 778429858 YUWRQOZYSIBOKM-UWJYYQICSA-N 448.544 5.231 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(Cl)cc(C(F)(F)F)c1 778606692 OEHALLQDLVIKDX-GFCCVEGCSA-N 435.616 5.627 30 20 IKED Cc1cc(C2CCN(C(=O)Nc3ccccc3O[C@H](C)C#N)CC2)ccc1Br 779449881 QYNCEXDNXHVHPW-MRXNPFEDSA-N 442.357 5.460 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3ccccc3O[C@@H](C)C#N)cc12 780153491 JPUGLNUWTAOKSZ-AWEZNQCLSA-N 434.496 5.137 30 20 IKED Cc1nc(/C=C/c2scnc2C2CC2)sc1C(=O)/C=C\c1scnc1C1CC1 782329400 MOIGAAUDYRYXFK-NMMTYZSQSA-N 425.604 6.186 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)N[C@@H](CC)c3ccccc3)s2)cc1 787041330 YIAYVMRJDMLGRF-SFTDATJTSA-N 447.560 5.107 30 20 IKED COc1cc(C(=O)/C=C\c2cn(CCC#N)nc2-c2ccccc2)ccc1SC(F)F 788353663 AZNQQYCWQJGQNP-NTMALXAHSA-N 439.487 5.683 30 20 IKED N#Cc1ccc(CCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)cc1 790165830 HFPQJIIXWMYKSO-UHFFFAOYSA-N 435.867 5.270 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnc(Br)c(Cl)c1 790244543 XJNRLBFNUVBNRQ-UHFFFAOYSA-N 443.688 5.117 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 790772002 VOKLKRSTFHCFJJ-UHFFFAOYSA-N 431.254 5.426 30 20 IKED FC(F)(F)CCCCNC(=S)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 794990897 ZVZQVTAKAFATPH-NSHDSACASA-N 426.348 5.506 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(CCc2ccccn2)Cc2cccnc2)cc1 797613047 AUSVFMZNPSYURM-HHHXNRCGSA-N 447.542 5.409 30 20 IKED Cc1cc(Br)cc(NC(=O)c2cc(C#N)oc2C)c1NC(=O)OC(C)(C)C 797983572 FRAZMVUFANDJEL-UHFFFAOYSA-N 434.290 5.130 30 20 IKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2cc(C3CC3)nc3ccccc23)ccc1Cl 802664174 BWVMSPHELVJOPZ-UHFFFAOYSA-N 447.922 5.178 30 20 IKED O=C(O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1cnn(CCC(F)(F)F)c1 809127963 MMRFNEOFWOJXNF-LBPRGKRZSA-N 434.258 5.315 30 20 IKED C[C@H](CC(=O)c1cccc(Br)c1)C(=O)[C@H](C#N)c1nc2ccccc2s1 821619977 UMPFZHRIVXXVJX-DOMZBBRYSA-N 427.323 5.144 30 20 IKED O=C(Cc1noc(-c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)n1)Nc1ccccc1 904387086 LFHHEZKZTJQXBP-UHFFFAOYSA-N 447.310 5.207 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CCCC#N)c1nc(-c2cccnc2Oc2ccccc2)no1 904454580 TXTRICHKAXXGTQ-SFHVURJKSA-N 435.484 5.184 30 20 IKED Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915086114 HGUYQBJJMFWEAN-IZZNHLLZSA-N 439.559 5.434 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102183 OCRDYIABFQPPAA-MLGOLLRUSA-N 442.327 5.632 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1nc2ccc(SC(F)F)cc2s1 915804767 OUJJMHQXROGGJP-UHFFFAOYSA-N 449.504 5.289 30 20 IKED O=C1CCc2cc(C(=O)/C=C/c3csc(-c4cccc(Br)c4)n3)ccc2N1 915993307 NFOJGOFJKUHOKF-SOFGYWHQSA-N 439.334 5.353 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(N3CCOC3=O)cc2)cc1Cl 916057458 QWUWQLRJDHIVJI-NRFANRHFSA-N 431.879 5.204 30 20 IKED C[C@H](Sc1ccccc1Cl)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916931369 JVAGBVCMKVVCEO-JQWIXIFHSA-N 427.740 5.475 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CCCc3cc(C(F)(F)F)ccc32)c1=S 917472538 VQLGGOBOVQVPOJ-UHFFFAOYSA-N 431.487 5.091 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(C3CCCCC3)cc2)cs1 917562040 UEDPBLSMZJRNJS-SSZFMOIBSA-N 448.563 6.911 30 20 IKED N#C[C@H](C(=O)CCOCc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 918490797 VXNBURHEFSYAEJ-QGZVFWFLSA-N 431.344 5.900 30 20 IKED Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)cc12 918549934 XCKGYIZTXPNWHV-CQSZACIVSA-N 427.533 5.039 30 20 IKED COc1ccc2cc(/C=C\C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)ccc2c1 920803960 HTKJDWUUNGOQLJ-FUKWUPMWSA-N 446.478 6.140 30 20 IKED CC(C)c1cccc(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 920806489 MESMJIMFOMMKSY-PBHICJAKSA-N 426.488 5.855 30 20 IKED CCOC(=O)C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(F)cc1 920872644 OVZWQZLJJIIHSO-BJKOFHAPSA-N 445.494 5.297 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4[nH]ncc34)CCC2)cc1 1786102931 DBBLGKATMBLZMW-UHFFFAOYSA-N 428.536 5.079 30 20 IKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)/C=C/C4CC4)cc3)CCC2)cc1C#N 1786161019 CGRUWYORXDIUCZ-AWNIVKPZSA-N 443.547 5.059 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(F)c(C)cc3F)CCC2)cc1 1786369371 ZSUFVMYFPQOTKG-UHFFFAOYSA-N 442.506 5.004 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C3CCC(F)(F)CC3)CCC2)cc1 1789449709 WLIBMJCVUIZKFX-NRFANRHFSA-N 430.539 5.714 30 20 IKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)cc3)[nH]n2)C1 1814398210 AJTGJPALPXXGCK-DEOSSOPVSA-N 440.547 5.349 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nc(C(C)C)cs2)n[nH]1 1816061843 GPPFWKPTAROMHI-APWZRJJASA-N 441.601 5.064 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccnc3ccccc23)n[nH]1 1818440685 ZYDAVEPQZCQPCB-QHCPKHFHSA-N 443.551 5.032 30 20 IKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)CC1 1828321349 OIVRRPKSGUAVQN-IBGZPJMESA-N 431.001 5.364 30 20 IKED Cc1ccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(CO)c2)c(C)c1 10168851 XRFYZBODLXGRFI-UHFFFAOYSA-O 433.597 5.258 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1cccnc1 18405336 OIPIKJJQDFHSBO-OAQYLSRUSA-N 445.523 5.137 30 20 IKED CCCN/C(S)=C(/C(=O)c1ccc(Cl)cc1Cl)[n+]1ccc(C(CC)CC)cc1 22803390 GVYHJURWBHTRQQ-UHFFFAOYSA-O 438.444 6.123 30 20 IKED C=C(C)CN(CC)C(=O)[C@H](C)Sc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1 24018666 YQPJQWSJRJWGTB-INIZCTEOSA-N 433.643 5.095 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1cc(Cl)ccc1C 32786527 TTWSLGKXOBWMIK-INIZCTEOSA-N 426.973 5.136 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2sc(C)c(-c3ccccc3)c2C(N)=O)cc1OC 206315051 ZGCMRQJDTGTLDW-QBFSEMIESA-N 448.544 5.048 30 20 IKED CC(C)[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1nc(-c2cccnc2)no1 236802258 RLBSMUSCJSHYQF-DEOSSOPVSA-N 439.519 5.069 30 20 IKED C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 303186913 LQBBMOBVDSOYON-MRXNPFEDSA-N 433.489 5.165 30 20 IKED Cc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccc(Br)cc2n1 303307396 PZEVKTKLQKWDMV-CYBMUJFWSA-N 440.366 5.810 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Nc1ccc(NC(=O)c2cccs2)cc1 303514933 OPGFKFPPTXEISK-MRXNPFEDSA-N 425.579 5.077 30 20 IKED CC(C)n1c([C@@H](C)NC(=O)c2ccc(OCc3ccccc3C#N)cc2)nc2ccccc21 303796768 ROAPVAKBDANQEQ-LJQANCHMSA-N 438.531 5.559 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(Br)c2c1OCCC2 426291092 LARQFIGNAWCBLH-CYBMUJFWSA-N 431.355 5.278 30 20 IKED Cc1cc(F)ccc1C1CCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 428727801 ZGGGMFFTWTZTAJ-KRWDZBQOSA-N 425.573 5.204 30 20 IKED CCCCN(C(=O)c1cc(C#N)cn1C)c1nc(-c2ccc(Cl)cc2Cl)cs1 433523860 FPEBLALYFLDVAJ-UHFFFAOYSA-N 433.364 5.774 30 20 IKED COCc1nc(CSCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)cs1 437262759 MEPBZNDLKHROQB-UHFFFAOYSA-N 426.563 5.182 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 438051575 CAILSCJGHHIZFZ-INIZCTEOSA-N 425.554 5.358 30 20 IKED Cc1ccccc1[C@H](CC(F)(F)F)NCC(=O)Nc1ccccc1S[C@H](C)CC#N 444779429 YIZKSGLMNJZAHI-APWZRJJASA-N 435.515 5.611 30 20 IKED C=CC[C@@H]1N(Cc2csc(N(C(C)=O)c3c(C)cc(C)cc3Cl)n2)CCCC1(C)C 444793446 RUUJWCRARNETMW-NRFANRHFSA-N 446.060 6.665 30 20 IKED N#Cc1cc(N2C(=O)CN(C3CCCC3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1 445927492 KVMOFMXCSYEKFP-UHFFFAOYSA-N 429.398 5.081 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ncccc1C(F)(F)F 446245808 STOBTZRFHTXTNH-GFCCVEGCSA-N 430.270 5.543 30 20 IKED C[C@@H](C1CCCCC1)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 447453066 UYPILIZFZFZAIT-AWEZNQCLSA-N 441.519 5.077 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(OCCc3ccccc3)CC2)cc1 464911194 JLNOFAIQZRYYMM-UHFFFAOYSA-N 440.543 5.523 30 20 IKED CCC(CC)c1cc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)on1 466117837 OGOXVRXCIDOKEY-UHFFFAOYSA-N 434.515 5.501 30 20 IKED N#Cc1cccc(-c2cc(C(=O)NCc3nc(-c4cc5ccccc5o4)cs3)on2)c1 469306002 WGJQVEDCRUQGNI-UHFFFAOYSA-N 426.457 5.013 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)Nc1ccn(CCC#N)n1 470402036 YEFIFQHZSUWXIT-UHFFFAOYSA-N 445.502 5.486 30 20 IKED CCSc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 470569305 IPHWMZVWOCODPV-KRWDZBQOSA-N 436.581 5.264 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(O)(Cc4cccc(F)c4)CC3)cc2)cc1 473658986 NOCLYYVWFKLECX-UHFFFAOYSA-N 445.494 5.091 30 20 IKED N#CC[C@H](CC(=O)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1ccccc1 474574472 IDTMIDYEHZERGU-GOSISDBHSA-N 433.943 5.351 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 475557372 AMQKAHHAUQLQKP-UHFFFAOYSA-N 440.591 5.818 30 20 IKED Cn1nc(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c2ccccc21 480352655 BBKGXGRSOWAYMD-NRFANRHFSA-N 443.938 5.246 30 20 IKED COc1cccc([C@H]2CN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CCO2)c1 482919511 HMMWNDLTJBDZPI-RUZDIDTESA-N 443.503 5.273 30 20 IKED Cc1ccc2nc(COc3cccc(C(=O)[C@H](C#N)c4nccc5ccccc45)c3)cn2c1 483188340 ABKMBDBWASGXJL-XMMPIXPASA-N 432.483 5.260 30 20 IKED N#C[C@@H](C(=O)c1cccnc1Oc1ccc(Cl)cc1Cl)c1cnc2ccccc2n1 483237140 ARVSKMWKRUQCQY-OAHLLOKOSA-N 435.270 5.614 30 20 IKED C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 483498575 CXVXJJPJOGGNEP-MOPGFXCFSA-N 447.560 5.264 30 20 IKED CN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)c1cccc(OC(F)(F)F)c1 483937390 BBCRADZDEYTSPI-UHFFFAOYSA-N 426.394 5.312 30 20 IKED COc1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)c(OC)c(C)c1OC 484801926 FREPDSLGLKKTKC-UHFFFAOYSA-N 434.517 5.296 30 20 IKED COc1cc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C)cc1C 485136703 WCHIENVYXFXFDC-FQEVSTJZSA-N 447.922 5.198 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1coc(-c2ccc(Br)cc2F)n1 487656436 JBMHGCXDGBWDSL-UHFFFAOYSA-N 444.260 5.154 30 20 IKED COc1ccc([C@@H]2CCCCCN2C(=O)CSc2nc(C(F)(F)F)ccc2C#N)cc1 488793589 CAHOXDZCIUXEEP-SFHVURJKSA-N 449.498 5.217 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3nnc(/C=C/c4ccco4)s3)c2)cc1 490365186 JGVHIOHLXYURKI-ZHACJKMWSA-N 428.473 5.004 30 20 IKED N#Cc1cc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)ccc1Cl 494737207 FDUNJLKKGUDLFZ-ZDUSSCGKSA-N 436.726 5.009 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Oc2ccnc3ccccc23)cc1 499253554 IPUJAKBEIPTIJG-UHFFFAOYSA-N 438.487 5.188 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)NCc2ccc(C#N)cc2)cc1C 500418636 DBINUJMSPLVWLC-UHFFFAOYSA-N 449.558 5.369 30 20 IKED CC(C)c1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)nn1C(C)(C)C 501423713 OEQJQNUKRVKMTE-UHFFFAOYSA-N 430.552 5.659 30 20 IKED CCOCCCn1c(SCCC#N)nc2scc(-c3ccccc3Cl)c2c1=O 501425448 UCDHXUSWYKOWGH-UHFFFAOYSA-N 433.986 5.211 30 20 IKED COCCOc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 502498230 ZORLFVGEBFFOJB-UHFFFAOYSA-N 433.464 5.028 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C(C)(C)C#N)cc1 502662847 BGSFBZOMIWREQU-UHFFFAOYSA-N 430.321 5.609 30 20 IKED N#C[C@H](C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1)c1nc2cc(Cl)ccc2s1 503573938 URVGFCZTKRTMNH-GFCCVEGCSA-N 439.905 5.292 30 20 IKED Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1NC(=O)c1ccccc1 507880015 UWGFCNFXUBWMNJ-UHFFFAOYSA-N 447.494 6.164 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(N2CCCCC2)CC1 508733426 MGWKYDXMVHRDDA-OAQYLSRUSA-N 445.611 5.212 30 20 IKED C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(F)c(Cl)c1 510642959 DNUHDYRTZIMWSS-CQSZACIVSA-N 436.874 5.486 30 20 IKED CN(C)Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)oc2ccccc12 510865413 JPYVNCQWPYCPOU-UHFFFAOYSA-N 443.478 5.336 30 20 IKED CC[C@@H](NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1nc(C(F)(F)F)cs1 510937692 PIFICUKYDNYBGW-NEPJUHHUSA-N 443.388 5.745 30 20 IKED Cc1nc([C@@H](C)N2CCC(Oc3ccc(C#N)cc3F)CC2)oc1-c1ccc(Cl)cc1 512846309 ZAWOWFXMUGRQMR-MRXNPFEDSA-N 439.918 5.919 30 20 IKED C=CCOc1c(Br)cc(CNCc2ccc(OC3CCCC3)nc2)cc1OC 512857051 TWVAABJPUKIYQB-UHFFFAOYSA-N 447.373 5.029 30 20 IKED Cc1noc(C2(C)CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)n1 512890869 ROVHHEXBYSUGFI-FQEVSTJZSA-N 449.942 5.273 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc(Cl)c1OCC(C)C 513192103 ZLEGWGMUZXRRAE-CQSZACIVSA-N 426.822 5.287 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ncsc1Br 513201038 XPVMALSTSUUSBJ-UHFFFAOYSA-N 436.278 5.182 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)n2)cc1 515204801 AVJDHHJJAQBOOR-UHFFFAOYSA-N 442.475 5.325 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccccc1SC[C@@H](C)C#N 517461943 UQAQERQDGMCRHI-LBPRGKRZSA-N 429.904 5.947 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1ccccc1)c1ccc2ccccc2c1 518309843 JUEIXPNDSGMFNA-MHZLTWQESA-N 435.527 5.267 30 20 IKED C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H](c2cccs2)C1 519833928 DCUGCRCNKYJMBG-LJQANCHMSA-N 426.611 5.094 30 20 IKED COc1ccc(CN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[C@@H](C)C2CC2)cc1 520907160 DZWSLMAYIWAQKJ-HNNXBMFYSA-N 447.457 5.341 30 20 IKED CC(C)OCCOCc1cccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1 521237277 PWDAECUHEHXECZ-UHFFFAOYSA-N 448.494 5.684 30 20 IKED Cc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1C(=O)NC(C)C 521276209 RPRXURACOADGFI-UHFFFAOYSA-N 429.545 5.408 30 20 IKED O=C(Cc1noc(-c2ccc(C(F)(F)F)c(F)c2)n1)Nc1ccccc1C(F)(F)F 521682679 JDEWZIOOCDNTCN-UHFFFAOYSA-N 433.283 5.095 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)c2cccc(COc3ccc(C#N)cc3)c2)c(OC)c1 522306775 JMPKGAMIKIRNTP-VWLOTQADSA-N 442.515 5.132 30 20 IKED CC[C@H](C)n1ncc2c(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc(C)nc21 523959586 YAIFUIKXYQDTQV-KBXCAEBGSA-N 449.967 5.978 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 525227484 YFOMGDGIKBFICV-UHFFFAOYSA-N 430.455 5.288 30 20 IKED COc1ccc(-c2nc(C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)cs2)cc1OC 532791860 YJPAYMDOLKQPNK-UHFFFAOYSA-N 448.529 5.075 30 20 IKED N#C[C@@H](C(=O)c1cccc([C@H]2CCOC2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 536442346 ODYAOZLWJYWHKM-YJBOKZPZSA-N 443.355 6.111 30 20 IKED COc1cc(OC)c(NC(=O)c2cc3ccccc3cc2OCC2(C#N)CC2)cc1Cl 537554054 JDCXKGWWEULUHL-UHFFFAOYSA-N 436.895 5.445 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)Cc3cccc(OCc4cccnc4)c3)cc2)c1 539939191 HHBDVXURDCOFOZ-UHFFFAOYSA-N 435.483 5.506 30 20 IKED Cc1coc(-c2ccc(C)c(NC(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)c2)n1 541104765 CZBVQLQWYGLILC-UHFFFAOYSA-N 432.871 5.313 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@@H](C)c2ncc(-c3ccccc3)o2)n(C2CCCCC2)c1C 542570844 QBVMBEHCPHPDHT-SFHVURJKSA-N 445.567 5.426 30 20 IKED FC(F)(F)c1cc([C@@H](NCc2csc(C3CC3)n2)C(F)(F)F)cc(C(F)(F)F)c1 543980427 DYBKRFJLSFWLHL-CYBMUJFWSA-N 448.354 6.451 30 20 IKED CC(C)(C)c1nc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)no1 543981151 FVWSFUSWWDJEMZ-GFCCVEGCSA-N 449.317 5.798 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 549314072 ZFRSTAYMAXRQBL-AWEZNQCLSA-N 428.348 5.353 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)c1 552077206 ABWWJIFMYXCCRI-UHFFFAOYSA-N 430.316 5.109 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC2(CCOCC2)C1 555249144 FZYHRDRBIFGTFR-UHFFFAOYSA-N 444.579 5.107 30 20 IKED C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H](CC(F)(F)F)C1 555272928 UAARTBRUAFRRIF-MRXNPFEDSA-N 438.494 5.096 30 20 IKED N#C[C@@H](C(=O)c1cccc(-c2nc[nH]n2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 556567440 DUEMLUWXPYUFKA-HNNXBMFYSA-N 440.315 5.392 30 20 IKED C=CCN(C(=O)C1CCC(OC(F)F)CC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 575153983 KQCRITYQPQPTMB-UHFFFAOYSA-N 437.468 5.035 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 588296617 UNXCDMUFNAMNMW-SFTDATJTSA-N 447.348 5.206 30 20 IKED C[C@@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1nc2ccccc2n1C(F)F 603639004 LXEWAFGKKMLSNU-MRXNPFEDSA-N 446.457 5.373 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1 603640410 INAZIKFJSGKNFB-UHFFFAOYSA-N 435.527 5.638 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 606762118 ZQYOPOVEQPMEOZ-UHFFFAOYSA-N 444.409 5.046 30 20 IKED C[C@H](C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1cccc(F)c1 607777978 SYEHYVBYGLZUFL-NSHDSACASA-N 439.327 5.450 30 20 IKED COC(=O)c1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1C 608784958 KQGXIULFOFVBMY-UHFFFAOYSA-N 431.467 5.027 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)cc1C 608962210 BDWADWQWQMHXCS-UHFFFAOYSA-N 444.926 5.172 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 609083018 LGZCURGPJNXABR-NXEZZACHSA-N 445.310 5.191 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(N3CCOCC3)c(F)c2)cc1Cl 609297893 ROMKAEDKSFSDLN-OAQYLSRUSA-N 449.913 5.223 30 20 IKED COc1ccc(-c2ccc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c(F)c2)cc1 609299444 VUOCKBODQINHOU-UHFFFAOYSA-N 430.479 5.057 30 20 IKED Cc1ccc(C2(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CCOCC2)cc1 609504043 OBQRMIOIIRWHSR-UHFFFAOYSA-N 440.543 5.441 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)NCc1ccc(C#N)cc1F 610163578 ZODJFFRZGHCUQZ-UHFFFAOYSA-N 431.446 5.020 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2ccc(OCC(F)F)c(C(F)(F)F)c2)c(Cl)c1 618257847 JUIHSYWHVNUZTQ-UHFFFAOYSA-N 439.167 5.780 30 20 IKED CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 674492500 CZCGZRNYYJYLLN-IHRRRGAJSA-N 435.330 5.788 30 20 IKED C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(OCC2CC2)c(F)c1 675247984 WEVVROHTUFKDSV-LEWSCRJBSA-N 442.375 5.058 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc4ncc(Br)cc4c3)n2)cc1 682012839 UBFHGGNLJITUFK-KRWDZBQOSA-N 449.333 5.314 30 20 IKED COc1ccc(C(=O)/C=C\c2c(Cl)nc(Cl)n2-c2ccccc2)cc1NC(C)=O 726427016 BMPFVFXOOMKTHM-KTKRTIGZSA-N 430.291 5.042 30 20 IKED Cc1cc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccccc2)c(C)s1 726571309 RYZDJVUDMFNQQX-UHFFFAOYSA-O 426.974 5.501 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1 730473280 GRMRCBFFXRPELV-QFIPXVFZSA-N 430.935 5.682 30 20 IKED CN(C)C(=O)Sc1cccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 731988243 LAGJOMSGGHLFKH-UHFFFAOYSA-N 431.517 5.571 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(C)C)c1 733801535 RPEQKOKWYRGQPN-FPOVZHCZSA-N 433.474 5.583 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)NCc1ccccc1F 734156567 SCMJIQWVNULTGZ-INIZCTEOSA-N 437.902 5.047 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccccc2C(=O)NC2CC2)c1 734994574 ZLDPZFJIMXROET-UHFFFAOYSA-N 431.879 5.148 30 20 IKED COc1cc(COC(=O)Cc2c(C)[nH]c3ccccc23)ccc1OCc1cccc(C#N)c1 735132503 FLKINOKCBXJLTP-UHFFFAOYSA-N 440.499 5.222 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1cc(Cl)ccc1OCC#N 735231619 WLSGZHWKIMVSMU-UHFFFAOYSA-N 444.919 5.030 30 20 IKED C[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ncc(-c2ccccc2)o1 740058859 DPMMKZUELFZRQZ-INIZCTEOSA-N 428.517 5.502 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)NC[C@H](O)c3c(Cl)cccc3Cl)c2)s1 740916776 CCTPKHLTZRDLSB-SFHVURJKSA-N 446.359 5.126 30 20 IKED N#Cc1ccc(F)c(CNC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)c1 742733126 YUDLXBISEUPGPP-UHFFFAOYSA-N 433.433 5.373 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2Cc3ccccc3C[C@H]2c2ccccc2)c1=S 743375438 GUBMSOAVUOWXEN-DEOSSOPVSA-N 439.588 5.419 30 20 IKED N#C[C@H]1C(CN2Cc3ccccc3C[C@@H]2c2ccccc2)=CC(=O)n2c1nc1ccccc12 744411746 IRYBQANDEHHCDA-JYFHCDHNSA-N 430.511 5.023 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(C(F)(F)F)cc2)n1 747198720 KOIJJBQPSQZJQB-GPMSIDNRSA-N 449.498 5.071 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(Cc2ccco2)Cc2ccc(C)s2)cc1C#N 752300946 OOMDUCFTQYQHEH-UHFFFAOYSA-N 438.509 5.324 30 20 IKED O=C1CSc2sc(C(=O)/C=C\c3c(Cl)nc(Cl)n3-c3ccccc3)cc2N1 758027614 WMVFKYPXCXUPET-SREVYHEPSA-N 436.345 5.181 30 20 IKED CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(-c3ccc(Cl)cc3F)s2)cs1 758040070 NODVGATXINTMDA-FNORWQNLSA-N 434.945 5.933 30 20 IKED O=C(O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cc(F)c([N+](=O)[O-])cc1F 763490718 CDYQGKXGFFARSM-CYBMUJFWSA-N 429.219 5.352 30 20 IKED CCCC(=O)Nc1ccc(Cl)c(NC(=O)Nc2ccc(NC(=O)OCC)c(C#N)c2)c1 763992588 KPUOXLYAATWGQM-UHFFFAOYSA-N 443.891 5.163 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1-c1cccc(OC)c1 765358122 HUQSRRINOMOJSC-INIZCTEOSA-N 433.537 5.351 30 20 IKED CC(C)(C)OC(=O)NCc1cccc(NCc2cn(CCC#N)nc2-c2ccccc2)c1 770533767 GGZXYXSEUVIGPQ-UHFFFAOYSA-N 431.540 5.101 30 20 IKED N#C[C@H](COC(=O)c1csc(-c2cccs2)n1)Cc1cccc(Br)c1 774394007 SOBBEWYJSCSFIC-CYBMUJFWSA-N 433.352 5.173 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](c3c(F)cccc3Cl)N(C)C)n2)cc1 778613673 GUEIYUATYYWSMJ-YWZLYKJASA-N 443.931 5.090 30 20 IKED Cc1nc(F)ccc1/C=C1\CC(C#N)(c2ccccc2)C/C(=C\c2ccc(F)nc2C)C1=O 782304922 XOGFESKBCIXCNU-ADYPVIEZSA-N 441.481 5.663 30 20 IKED Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 782552426 FJRNTMDTOMAJNV-DNQXCXABSA-N 427.552 5.831 30 20 IKED CCCc1c(NC(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)cnn1-c1cccc(C#N)c1 784479089 VDUBCUUJKKWTPV-JOCHJYFZSA-N 435.478 5.344 30 20 IKED N#C[C@@H](C(=O)Cc1cccc(OC(F)(F)F)c1)c1nc(-c2c(F)cccc2F)cs1 784502420 SNQVQLLEJZUXFV-ZDUSSCGKSA-N 438.377 5.406 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N(C)Cc1c(C)noc1C 802573253 WFZJMKJUHJMAHQ-LJQANCHMSA-N 431.540 5.389 30 20 IKED CC(=O)Nc1cccc(N=c2scc(-c3ccncc3Cl)n2CCCCC#N)c1 803180489 XAVLFOGSYNBNGT-UHFFFAOYSA-N 425.945 5.150 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC([C@H](F)c3ccccc3F)CC2)c1 805112425 BDMJGLFQPOGYNL-CVDCTZTESA-N 427.495 5.139 30 20 IKED O=C(COC(=O)c1cc(F)c(C(F)(F)F)cc1F)Nc1ccccc1SC(F)F 805594866 PLEYRYLQELLCLM-UHFFFAOYSA-N 441.324 5.094 30 20 IKED C[C@H](C#N)Oc1ccc(CN(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)cc1 809767826 VLIRCTJIQBZTIG-GOSISDBHSA-N 425.454 5.594 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCN(c4ccccc4Cl)C3)n2)cc1 810549758 OXXBHJREPHLEBF-QZTJIDSGSA-N 432.936 5.038 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(SC(F)(F)F)cc1 914743741 HZZLYXWJFVVDFO-UWVGGRQHSA-N 439.343 5.938 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)cc1 915086278 SEWHXNTYYMZAQF-IBGZPJMESA-N 447.420 5.194 30 20 IKED CCc1ccc(N(Cc2ccc(C)s2)C(=O)CCc2c(C)nn(CCC#N)c2C)cc1 915162622 ISMGSCCGDJSZIM-UHFFFAOYSA-N 434.609 5.512 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)cc1 915180590 PQGNBSAYYLETIS-XMMPIXPASA-N 439.515 5.024 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)c1 916897741 RNXRSKNWWHMOMD-QHCPKHFHSA-N 439.490 5.563 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(NC(=O)c2cccs2)cc1 916903718 RDTVGWHTQAOEHG-HXUWFJFHSA-N 445.544 5.086 30 20 IKED Cc1ccccc1OCCCC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916908696 NMZFPAZZADGGNH-NRFANRHFSA-N 428.488 5.294 30 20 IKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN2CCC[C@@H]2c2ccccc2C)c1=S 917482957 OOUVLXJZUFMCLV-OFNKIYASSA-N 448.592 5.216 30 20 IKED Cc1ccc(-c2nc(C=Nn3c(C)nc4sc5c(c4c3=O)CCCCC5)cs2)cc1 918709302 CKADDNGQWBLCRR-UHFFFAOYSA-N 434.590 5.349 30 20 IKED Cc1ccc(-c2nc(C=Nn3c(S)nnc3-c3cc(Cl)ccc3Cl)cs2)cc1 918710599 VQVSJSNLNMQUMX-UHFFFAOYSA-N 446.388 5.855 30 20 IKED CCOC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920804011 IOHVZYYYXLTAOU-AWEZNQCLSA-N 427.432 5.147 30 20 IKED CC(C)n1c(O)nc2ccc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc21 1596725216 ISPFRKSQUKPVHI-UHFFFAOYSA-N 442.494 5.176 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)C3CCC(C(F)(F)F)CC3)cc2)CCC1 1786592908 UOCDSTRYJLXIGR-UHFFFAOYSA-N 435.490 5.039 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(OC)c3)CCC2)cc1 1789455801 DFGMXLGYQDTALT-DEOSSOPVSA-N 443.547 5.083 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cncc(C(F)(F)F)c3)cc2)CCC1 1789877495 FOPONQBRDWCINZ-OAHLLOKOSA-N 431.458 5.060 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sccc2OCC)n[nH]1 1814342516 JUALXOVQHDTSIT-KRWDZBQOSA-N 444.601 5.168 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(C)(C)C)nc2)n[nH]1 1814351478 AMZMAUHWOGRPIG-CTNGQTDRSA-N 449.599 5.177 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)c(F)c2)CC1 1826549861 HFFXFRVQVWSYJT-HSZRJFAPSA-N 446.582 5.119 30 20 IKED Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1830005525 UDEDQXFJHKYDJR-QFQXNSOFSA-N 443.591 5.169 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc(CCCCC)s2)CC1 1831377276 XFLXEEXHOSZDBI-PZJWPPBQSA-N 445.673 5.321 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2ccc(C)cc2C)cc1 10168539 UKIKGHHEQCJMPL-UHFFFAOYSA-O 430.018 5.919 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(F)cc2)[n+]2ccc3c(c2)CCCC3)c(C)s1 10830033 ZOSPCBHYHVSXGG-UHFFFAOYSA-O 439.601 5.721 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(F)cc2F)cc1 11250080 SFCLEKVOJBAIHU-UHFFFAOYSA-O 445.580 5.934 30 20 IKED CSc1nc(C2CC2)cc(C(=O)O[C@@H](C(=O)Nc2ccccc2)c2ccccc2)c1C#N 12577800 BJSXPZSGUWUQCC-JOCHJYFZSA-N 443.528 5.089 30 20 IKED C=CCn1c(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)nnc1-c1cccnc1 18404988 JQUADTRRABENIV-UHFFFAOYSA-N 435.597 5.504 30 20 IKED C=CCn1c(SCc2cc(=O)oc3cc4c(cc23)CCC4)nnc1-c1ccc(F)cc1 22300840 YPHMEBWPOBJNKM-UHFFFAOYSA-N 433.508 5.158 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)cc1 26036541 QQONPDXNKACLEC-UHFFFAOYSA-N 449.620 5.529 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[C@H](C)CC)nc2sccc2c1=O 36801853 LRNQLRNYUUOLBL-CABCVRRESA-N 427.595 5.277 30 20 IKED C[C@@H]1Sc2ccc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2NC1=O 64714443 WBOHPNPCGMQAMS-JQWIXIFHSA-N 441.484 5.011 30 20 IKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2cc(Cl)ccc2Cl)[n+]2cccc(C)c2)c1 71793491 NQBJRRNWNNOECJ-UHFFFAOYSA-O 444.407 6.257 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(c2c[nH]c3ncccc23)CC1 72023064 JRXBSUCMWDXSRA-UHFFFAOYSA-N 438.556 5.606 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2sc3nc(C(F)(F)F)ccc3c2C)cc1 111184057 QUJYTIKTJWHINL-UHFFFAOYSA-N 433.455 5.583 30 20 IKED C=CCN(C(=O)c1ccnc(C2CC2)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 217151957 JGXHZNKNQFOSCG-UHFFFAOYSA-N 431.348 5.617 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCC3(c4ccccc4)CCOCC3)cc2)c1 303394031 YOPSMPXMZNDAQK-UHFFFAOYSA-N 427.504 5.220 30 20 IKED CN(CCCc1nc2ccccc2[nH]1)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 303621187 DDYFEPOTTLKPEX-UHFFFAOYSA-N 444.922 5.585 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)cc1 303837271 PSHIOMVBYSYFQN-WOJBJXKFSA-N 434.898 5.866 30 20 IKED N#Cc1cc(NC(=O)CCc2ccc(O)nc2)ccc1Oc1ccc(C(F)(F)F)cc1 426780180 PESJUMWUUUALHQ-UHFFFAOYSA-N 427.382 5.041 30 20 IKED N#Cc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(C#N)cc3Cl)c2)c(Cl)c1 430358904 VEAWBKDWPKGOHC-UHFFFAOYSA-N 435.270 5.241 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cncc(-c4ccc5c(c4)CCO5)c3)n2)cc1 432454226 FCJZPYHDYQQZCU-JOCHJYFZSA-N 448.507 5.169 30 20 IKED COc1ccccc1NC(=O)c1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 432619323 DVEAWKYOZSWCGQ-QFIPXVFZSA-N 442.519 5.504 30 20 IKED Cc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1C(=O)N(C)C 434177163 LAJIPYZUPWCGDS-UHFFFAOYSA-N 433.895 5.267 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1ccccc1 435751855 HTQPLXPJSZWKJD-OAQYLSRUSA-N 435.911 5.290 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 437844357 QDBUNSFIZWYXAG-ZCYQVOJMSA-N 438.531 5.551 30 20 IKED CCCc1c(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cnn1-c1cccc(C#N)c1 439704080 RHINJWFXMYOXMC-UHFFFAOYSA-N 440.551 5.258 30 20 IKED Cc1noc(C2CC2)c1NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 444864495 YIUZBEJFLPPHST-UHFFFAOYSA-N 442.397 6.187 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2cc(C(C)C)n(-c3ccccc3)n2)c1C#N 445561785 TWORCKNNOJZXKC-UHFFFAOYSA-N 442.548 5.027 30 20 IKED Cc1cc([C@H]2NC(=O)N(c3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)C2=O)ccc1F 445994025 VAEBYIWXYPEZIS-OAQYLSRUSA-N 435.842 5.249 30 20 IKED C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CCCC[C@H]1c1ccccc1 460556941 WUEVCDLMQBFTJM-CCDWMCETSA-N 428.580 5.831 30 20 IKED C=C(C)Cn1c(CCCc2cccs2)nnc1N1CCC[C@H]1c1ccc(COC)o1 460935142 VDFSQZFMWROSHD-FQEVSTJZSA-N 426.586 5.172 30 20 IKED Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 461224740 GPTZSDTVJQUHCD-UHFFFAOYSA-N 434.805 5.317 30 20 IKED C[C@H](C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(Br)s1 463395496 RKYOUACOULVPFQ-AWEZNQCLSA-N 441.350 5.703 30 20 IKED CC[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1nc(C(F)(F)F)cs1 465187022 PVBMSQQSYSWRAP-OAHLLOKOSA-N 432.427 5.102 30 20 IKED C=C(C)CN1CCC(NC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2C)CC1 467279927 UVWGPJQAEJLMKM-UHFFFAOYSA-N 440.975 5.063 30 20 IKED CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 469898006 CCXRKCHZVSNQAI-OAQYLSRUSA-N 436.947 5.434 30 20 IKED C[C@H](Sc1ccccn1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 475532721 USSMRRHIBPTMIF-LBPRGKRZSA-N 448.495 5.139 30 20 IKED COc1ccc(OCc2nnc(SCCCC(C)(C)C#N)n2-c2ccccc2F)cc1 476478683 BZEQDZBYBXAKGA-UHFFFAOYSA-N 440.544 5.416 30 20 IKED CC(C)N(Cc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1)C[C@H]1CCCCO1 476557746 CRWNFAPLHLSQSH-AZGAKELHSA-N 433.596 5.492 30 20 IKED CC(C)c1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)CCC2 477720371 SDWHEXRAQWVOEY-DYESRHJHSA-N 435.593 5.194 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2c(O)c(Cl)cc(Cl)c2Cl)o1 477906962 JCADZZHWITWACQ-UHFFFAOYSA-N 437.666 5.648 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)nnc1-c1ccccc1C 481347040 UYOJTFXEAUXUBG-OAHLLOKOSA-N 444.507 5.160 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCCc3ccc4ccccc4n3)cc2F)c1 481661021 VEQHHQVVXUIJOI-UHFFFAOYSA-N 440.478 5.189 30 20 IKED Cc1ccc(-n2ncc(NC(=O)c3occc3COc3cccc(C#N)c3)c2C(C)C)cc1 481876692 VEIVXQNILNHMAJ-UHFFFAOYSA-N 440.503 5.600 30 20 IKED O=C(NC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1cccc(C(F)(F)F)c1F 486877762 GFVNXQIAFOIPIR-UHFFFAOYSA-N 435.339 5.299 30 20 IKED C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 487047852 RNIHIFSVCIRHJX-CLOONOSVSA-N 438.531 5.099 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 489255839 LPFOWANYFUHYTM-NRFANRHFSA-N 432.515 5.231 30 20 IKED C[C@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@H](c2cccc(C(F)(F)F)c2)O1 493985785 OXMPDTIYSDRBDQ-KBXCAEBGSA-N 434.462 5.127 30 20 IKED CC(C)Cn1ncc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1C(C)C 499986420 IILROARLYFGCEE-UHFFFAOYSA-N 447.558 5.908 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)nnn1-c1cccc(Cl)c1 507940852 VWJHBRNRSVISMU-UHFFFAOYSA-N 429.867 5.145 30 20 IKED CCN(C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1ccc(C#N)cc1 510427061 HLIXSTRNKHWXGP-UHFFFAOYSA-N 426.451 5.445 30 20 IKED C[C@@H](Sc1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C(N)=O 510466199 VJIRRSAOPKAJMY-QRWLVFNGSA-N 449.963 5.214 30 20 IKED COc1ccccc1OCCN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 510859132 ZXEWLLRCSYXGDM-UHFFFAOYSA-N 431.492 5.210 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCCCC[C@@H]3c3ccccc3)c2)c1 511533501 VNOHRDZXXOLDMM-RUZDIDTESA-N 438.531 5.960 30 20 IKED CCOC(=O)c1c(NC(=O)N(C[C@@H](C)C#N)C2CC2)sc(C)c1-c1ccc(F)cc1 513711433 IIZPFSXRSIOMIJ-ZDUSSCGKSA-N 429.517 5.195 30 20 IKED Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 517461676 LGTYYSMUZIDJLD-UHFFFAOYSA-N 441.478 6.334 30 20 IKED CCn1c(SCC(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)nnc1-c1cccc(C)c1 520889491 JMWFSILFRWQCLM-NRFANRHFSA-N 447.608 5.044 30 20 IKED C[C@@H](COCC(F)(F)F)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 521465970 CYDNFRGPYFWGKH-SUMWQHHRSA-N 425.838 5.084 30 20 IKED Cn1ccnc1Sc1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1 522305121 UMMZRLXCGLVZEA-UHFFFAOYSA-N 440.528 5.274 30 20 IKED Cc1c(C[S@@](C)=O)cccc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 523966253 KMKAUHNVSSIVEJ-SSEXGKCCSA-N 434.586 5.290 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@@H](COCc3ccccc3)c3ccccc3)cc2)nc1 525363148 KYEOHMPORVWSLN-SANMLTNESA-N 449.510 5.433 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)cc1 530796518 PTTDJMMFQYTBAC-LJQANCHMSA-N 449.526 5.137 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccn(-c2ccccc2)n1 532058953 PHCQRUAMFDSWFV-UHFFFAOYSA-N 430.455 5.078 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2nc(-c3ccc(O)cc3)cs2)cc1C 535425365 VKLICTFDEKXOFS-UHFFFAOYSA-N 443.532 5.162 30 20 IKED CCC[C@@H](C)N(C(=O)c1ccc(C2(C#N)CC2)cc1)c1nc(C)c(C(=O)OCC)s1 537419196 UKGIUBDGHPWBGD-OAHLLOKOSA-N 425.554 5.019 30 20 IKED N#CC1(CCCSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)CCOCC1 538567928 LBGZZIYIDGPTEO-UHFFFAOYSA-N 439.968 5.232 30 20 IKED COc1ccc(-c2noc(CN[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)n2)c(OC)c1 541086813 QBIBDOUIRQPOOR-QGZVFWFLSA-N 440.503 5.143 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(F)c(F)c(O)c3F)cc2Cl)c1 541675004 OMXYZORYCXVMKM-UHFFFAOYSA-N 432.785 5.166 30 20 IKED O=C(c1c(F)cc(F)cc1F)C1CCN(Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 543629768 AZCYMIQMWIRNRU-UHFFFAOYSA-N 449.366 5.279 30 20 IKED COc1ccc(C2(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)CCC2)cc1OC 544436036 ZFTWKZHFOPWXBJ-UHFFFAOYSA-N 443.503 5.132 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cc(Cl)cc3c2OCC3)cc1 544537285 UJWTZYXKMGVJKR-UHFFFAOYSA-N 447.922 5.242 30 20 IKED C=CCN(C(=O)c1cnc2nccnc2c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 546752153 AVYVDAZPJWBBDE-UHFFFAOYSA-N 449.539 5.648 30 20 IKED C[C@H]1CCCN(Cc2csc(NC(=O)c3ccccc3Sc3ccccc3C#N)n2)C1 557559757 SXZVCRWPTPPJMP-KRWDZBQOSA-N 448.617 5.650 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)Nc3ccc(C#N)c(Br)c3)c(C)c2c1 558213882 JHSGVTLFEGHUGE-UHFFFAOYSA-N 425.282 5.149 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)c1 561709516 OUSSXXGPIYGBGH-UHFFFAOYSA-N 443.812 5.735 30 20 IKED Cc1sc(Br)c(C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)c1C 563502802 ACMLSHIHZORGRZ-GFCCVEGCSA-N 433.249 5.021 30 20 IKED CN(C)c1ccc(-c2cncc(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)c2)cc1 563924038 SCDUPHFVPOQERA-UHFFFAOYSA-N 435.487 5.126 30 20 IKED CSC[C@@](C)(C#N)NC(=O)c1oc2ccccc2c1CSc1ccccc1Cl 566938533 CBWAUDSCQGZIOP-OAQYLSRUSA-N 430.982 5.754 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC(c4cccc(Cl)c4)CC3)cc2)ccn1 567285456 XWWBYTWDZRZSIW-UHFFFAOYSA-N 432.911 5.810 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1Cl 568332964 BQWDTANRRUEZBA-PUHATCMVSA-N 435.955 5.561 30 20 IKED O=C(Cc1noc([C@H](F)c2ccc(C(F)(F)F)cc2)n1)Nc1ccccc1C(F)(F)F 576073193 NQKIZMDGGCYDOY-MRXNPFEDSA-N 447.310 5.347 30 20 IKED CN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 577421796 LVWGQYRZWXWEFL-LJQANCHMSA-N 447.819 5.626 30 20 IKED CC[C@@H](NCc1nc(C#N)cs1)c1ccccc1OCc1ccccc1Br 577446186 QXSJGEHICWIVHO-LJQANCHMSA-N 442.382 5.597 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)c1 589798591 GIKBTCBJARSXQS-NRFANRHFSA-N 440.952 5.201 30 20 IKED C=CCN(C(=O)c1sc(C(C)C)nc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603636856 QLKNQOWDJZWODA-UHFFFAOYSA-N 428.539 5.439 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(-c2ccccc2)c1C(C)C 603739172 XAZPDYKOODZJBW-UHFFFAOYSA-N 437.503 5.615 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 604004002 VFQMTGAVVCONBB-UHFFFAOYSA-N 443.484 5.707 30 20 IKED Cc1[nH]c2ccccc2c1C1=CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 604434039 XVMYMOHPUNWKNQ-UHFFFAOYSA-N 449.514 5.857 30 20 IKED CCCOc1ccc([C@H](C)NC(=O)c2occc2COc2cccc(C#N)c2)cc1OC 608804707 WXKXDGFACGWBLQ-KRWDZBQOSA-N 434.492 5.019 30 20 IKED C=CCN(C(=O)c1ccc(SCC)nc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 609033448 OAEZDONPCVTLNO-UHFFFAOYSA-N 426.523 5.058 30 20 IKED N#CCn1c(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)cc2ccccc21 609173911 ZZBNFUQOACXUEZ-UHFFFAOYSA-N 425.926 5.073 30 20 IKED N#Cc1cccc(OC2CCN(Cc3cc(Cl)ccc3OCc3cccnc3)CC2)c1 609195038 XQEDBGVRNOTEEW-UHFFFAOYSA-N 433.939 5.229 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC(C)(C)c1ccc(Br)cc1 609437157 SPALOGFMHRENOB-CQSZACIVSA-N 432.387 5.900 30 20 IKED CCOc1ccc([C@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OCC 609439017 SEOCKNICPRXDEJ-SJORKVTESA-N 427.570 5.761 30 20 IKED Cc1cccnc1[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C(C)C 609682738 ANCYIUNFSNKBPO-DEOSSOPVSA-N 428.536 5.554 30 20 IKED Cc1noc(C)c1[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 610331696 DQTUPWGUXNLLTP-GFCCVEGCSA-N 444.413 5.857 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1cccc(N2CCCC2)c1 610673783 KHGRCJRBWFILFG-SFHVURJKSA-N 427.508 5.228 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 612805125 KRDJZFUALNFLFA-QWRGUYRKSA-N 448.860 6.009 30 20 IKED CC(C)c1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nn1C(C)(C)C 613404966 RHIGKKCILGZUSV-ZDUSSCGKSA-N 434.487 5.880 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)N[C@@H]2CCc3cc(C#N)ccc32)nc1-c1ccccc1 618845820 HRBXILOIOKWKAU-PKTZIBPZSA-N 440.547 5.871 30 20 IKED O=C(Nc1ccc(Cl)cc1OCC(F)F)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 672878364 PPBYPSGAVJXJND-RKDXNWHRSA-N 440.718 5.188 30 20 IKED CC[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccccc1OC(F)F 674428572 ZKURGXPFPCGNCV-GRYCIOLGSA-N 434.327 5.121 30 20 IKED CC(C)CC(=O)N[C@H](C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccccc1 727628385 KJHYXRGPMDYBOK-UZLBHIALSA-N 425.941 5.030 30 20 IKED N#CCOc1ccc(CNC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CCC3)cc1 727677913 YCFCOPZCXFAIJP-JZJYNLBNSA-N 449.510 5.537 30 20 IKED Cc1cccc(C)c1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728062059 IGYVTJRZTIXUGI-GOSISDBHSA-N 433.939 5.847 30 20 IKED Cc1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c(Br)c1 730417577 QFOINXGZJNDCET-AAEUAGOBSA-N 433.302 5.150 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(C3CCC3)C2=O)c1 730463370 WQJKWKMHJUVHBA-QOTVRNNISA-N 441.622 5.307 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)ccc1OC 733277685 NMDNRPSHXQLCLE-XXBNENTESA-N 445.563 5.334 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Cc2cccc(OCc3cccc(C)c3)c2)c1 733775019 NLZWKLOXEBVHNE-DEOSSOPVSA-N 428.532 5.114 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 733843874 CAYBLLSTPDVXLP-OAQYLSRUSA-N 440.503 5.662 30 20 IKED COc1cc(/C=C\C(=O)c2cccc(C)c2C)ccc1OCC(=O)Nc1ccccc1Cl 734305434 VECZEERKHNYHSA-QBFSEMIESA-N 449.934 5.879 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@@]12CCc1ccccc12)c1nc(-c2ccc(Cl)cc2Cl)cs1 744036355 ZLPDZPIPZNHXLM-JTUHZDRVSA-N 439.367 6.197 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)/C=C/c3cc(C(F)(F)F)ccc3Cl)o2)cc1 744558364 FZJGTEJJTJXHRD-VMPITWQZSA-N 433.773 5.037 30 20 IKED Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3occc3COc3cccc(C#N)c3)o2)cc1 744926803 MFLAOFCZLQCECJ-MRXNPFEDSA-N 429.432 5.007 30 20 IKED Cc1nc(C2CCCC2)sc1C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 745610193 STTPWWYMSPMLLD-CQSZACIVSA-N 443.594 5.156 30 20 IKED COc1cc(C(=O)/C=C\c2sc3ccccc3c2Cl)ccc1S(=O)(=O)C(F)F 747065999 HWGXLRYCXLVBNG-FPLPWBNLSA-N 442.892 5.456 30 20 IKED C[C@@H](Cc1ccccc1Cl)C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 754300845 RECWAJKCGGTQGW-JKSUJKDBSA-N 430.957 5.095 30 20 IKED C/C(=C\c1ccccc1Cl)C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 756287258 QEJNOUHXSFHASL-QJPKHSJYSA-N 428.941 5.319 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 756921153 CJCAVFIWEFNMKE-FQEVSTJZSA-N 449.551 5.036 30 20 IKED C#CC[C@H](NC(=O)C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1)c1ccccc1 757263322 RGVLRQWOYROYRB-CYFREDJKSA-N 428.557 5.359 30 20 IKED O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1cn(-c2ccccc2)nn1 759120426 HOOKGCBZZCCERQ-YPKPFQOOSA-N 428.879 5.069 30 20 IKED N#CCCCOc1cccc(/C=C2/COC/C(=C\c3cccc(OCCCC#N)c3)C2=O)c1 759611176 AWAKNHSWMPOHOW-REPVBDINSA-N 442.515 5.118 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](O)c1ccc(Cl)c(F)c1 762956984 SOSCJLBFRVYOEL-JOCHJYFZSA-N 439.874 5.307 30 20 IKED N#C[C@H](C(=O)[C@H]1CCCN1Cc1ccc(F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 768781497 BWYITYSLTMADRG-SJLPKXTDSA-N 447.457 5.295 30 20 IKED COc1ncc(/C=C/C(=O)C(c2nc3ccccc3s2)c2nc3ccccc3s2)cn1 773944856 VSCYMNNWPNFCJF-ZHACJKMWSA-N 444.541 5.119 30 20 IKED Cc1ccc(-c2cc(C(=O)O[C@H](C#N)Cc3ccc(F)cc3F)c3c(C)noc3n2)cc1 774310747 KZEFPGUXWRJFLP-SFHVURJKSA-N 433.414 5.077 30 20 IKED O=C(/C=C\c1ccc(Cl)c(Br)c1)c1ccc(S(=O)(=O)CC(F)F)cc1 776190834 ZLTAFEQNUFNTBJ-WAPJZHGLSA-N 449.700 5.037 30 20 IKED CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 777295333 DSMNPYVEAWZIQY-GAJHUEQPSA-N 427.570 5.378 30 20 IKED CC1(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CCN(C(=O)OC(C)(C)C)CC1 778079413 QBDOFWBDKAXDNY-UHFFFAOYSA-N 449.551 5.064 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 778391213 KZBHVONQQQFCOU-GMAHTHKFSA-N 430.479 5.218 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)ccc1OC 779102659 WEFZMNLYJMYQTH-RCZVLFRGSA-N 438.930 6.048 30 20 IKED C=CCSC1=N/C(=C/c2ccc(O)c(OCC)c2)C(=O)N1c1ccc(OC(F)F)cc1 780057383 WXMZMXVPLOFRMW-SFQUDFHCSA-N 446.475 5.055 30 20 IKED O=C(OCc1ccc(C(F)(F)C(F)(F)F)cc1)c1cnn(-c2ccncc2)c1C(F)F 784905819 AAOVVIPREXQCQB-UHFFFAOYSA-N 447.310 5.216 30 20 IKED COc1cccc(NC(=O)/C(=C\c2ncc(C(F)(F)F)s2)C(=O)c2ccccc2)c1 788351481 VVGJXIRUYHLJLN-WJDWOHSUSA-N 432.423 5.076 30 20 IKED C#CC[C@@H](NC(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccccc1 788817724 IGXWKEKKAXVVJX-PKTZIBPZSA-N 448.364 5.192 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1nccc2ccccc12 792095734 LXBHUWUYQNLUMT-PXDATVDWSA-N 433.511 5.117 30 20 IKED CC(C)N1C(=O)C[C@H](C(=O)[C@@H](C#N)c2nccc3ccccc23)[C@@H]1c1ccc(Cl)c(F)c1 792107460 VVVIWWZDSBUTCN-JXQFQVJHSA-N 449.913 5.202 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1)c1ccccc1 793009610 LTPUJPMDFBSXPS-ISKFKSNPSA-N 435.568 5.042 30 20 IKED COc1ccccc1-c1ccc(C(=O)/C=C/c2ncc(I)s2)cc1 794703771 XIXBANZNWQUREG-ZHACJKMWSA-N 447.297 5.319 30 20 IKED CCCCCCN(C(=O)c1ccnc(C#N)c1)c1nnc(-c2ccc(Cl)cc2)s1 796766870 AEHDLOCSQAALIH-UHFFFAOYSA-N 425.945 5.352 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1ccc(N2CCCCC2=O)cc1 810183619 BLCZPTRVUIKSNF-ROUUACIJSA-N 436.581 5.338 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(CC)cc1)[n+]1cc(O)cc(-c2ccccc2)c1 811723689 KCUPUBKKRHZVAD-UHFFFAOYSA-O 431.581 5.286 30 20 IKED CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N[C@H](CCCC#N)c2ccccc2)CC12CCC2 814349576 VRPAZTPVQLUTAR-NHCUHLMSSA-N 440.588 5.043 30 20 IKED COc1ccc([N+](=O)[O-])cc1CNc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 864029610 BLCMRJCREWTLRN-UHFFFAOYSA-N 426.288 5.505 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc3cc(Br)ccc3[nH]2)cc1 915086309 SLNWHRKASOCMCB-FQEVSTJZSA-N 430.305 5.838 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1nc2ccccc2s1 915098587 YNPXYEYZSIDXPA-YOEHRIQHSA-N 444.343 5.084 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cc1 915353453 NNTZRBIPUUVOHT-UIOOFZCWSA-N 425.532 5.320 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1 915353899 RGOLJCBHHWCCIN-QFIPXVFZSA-N 430.939 5.350 30 20 IKED CCOc1ccc(NC(=O)COc2ccc(/C=C\C(=O)c3ccccc3F)cc2OC)cc1 916135810 UYNFXSSJBAMWJZ-ZSOIEALJSA-N 449.478 5.147 30 20 IKED N#CCOc1cccc(NC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)c1 916409871 RLBIWGHYGRKNIC-UHFFFAOYSA-N 440.286 5.400 30 20 IKED C[C@@H](Sc1ccc(Cl)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916927628 MRAQIMSHXWINRU-QMTHXVAHSA-N 427.740 5.475 30 20 IKED COc1ccc2cc(/C=C\C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)ccc2c1 916928321 YAFWCMDFMGPUMF-KFILLSGMSA-N 439.298 5.516 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc3cc(Cl)ccc3c2Cl)cc1OC 916934381 GCCOOOYZTZTKCJ-CYBMUJFWSA-N 449.315 5.186 30 20 IKED COc1ccc(/C=C\C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916996099 KAWNUQRLQVLOCE-INDRUJQFSA-N 429.328 6.015 30 20 IKED N#C[C@H](C(=O)CCCCc1nc2ccccc2s1)c1nc2cc(Cl)ccc2s1 917042452 BDSYSNCZFKCOTD-CQSZACIVSA-N 425.966 6.149 30 20 IKED N#CCOc1ccccc1C(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2 919979536 XCZQRQVYALXNIF-UHFFFAOYSA-N 428.517 5.325 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CSCc3ccc(Cl)cc3)n2)cc1 920139682 XPULWZMKZIASBY-SFHVURJKSA-N 428.966 5.582 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccccc3Br)n2)cc1 920141076 DJNBUZGVQQSGGK-QGZVFWFLSA-N 441.350 5.390 30 20 IKED CC(=O)N(c1nc(COC(=O)C2(C#N)CCCCC2)cs1)c1c(C)cc(C)cc1Cl 920673171 KSQJCWZJEOCGOF-UHFFFAOYSA-N 445.972 5.615 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(O)c(Cl)c1 921255060 JEGFACOERIQNNM-UHFFFAOYSA-N 430.316 5.328 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4cccc(C)c4[nH]3)cc2)CCC1 1789254578 JKCVPFKXBKNGPZ-GOSISDBHSA-N 446.551 5.025 30 20 IKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cncs3)CCC2)cc1)c1ccccc1 1789602671 ZCJTYUSHOMUDST-QFIPXVFZSA-N 443.572 5.088 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2c(Cl)cncc2s1 1796372572 WIYBJPIURJWRKE-MUJYYYPQSA-N 446.016 5.194 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2c1OC(C)(C)CC2 1796691232 YTAQQIZUWRSFCU-WKCHPHFGSA-N 438.612 5.034 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc4ccccc4c3)C2)CC1 1809127922 VFASZGFLHYYJTQ-UHFFFAOYSA-N 446.635 5.606 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccnc(C(C)(C)C)c2)n[nH]1 1816105677 QMOZFOSWTHPDEZ-NRFANRHFSA-N 449.599 5.177 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(C(F)(F)F)CCC2)n[nH]1 1817193285 ADOXXDHIUAYYPD-INIZCTEOSA-N 440.510 5.127 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)nc2)CC1 1829520618 LJQLIEISVQZGHK-LVXARBLLSA-N 445.607 5.194 30 20 IKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccccc2)[C@H](C)CC)CC1 1831849389 XCYGRQPJNUDUKF-JBBQQGGESA-N 436.640 5.240 30 20 IKED C=CCn1c(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)nnc1-c1ccccc1 11056004 VHUNKYVQVFMNIP-QGZVFWFLSA-N 436.606 5.141 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)nc2cc(Cl)ccc2c1=O 16827299 UZWNXOSRSHWVBA-ZDUSSCGKSA-N 448.375 5.317 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2cccc(C(F)(F)F)c2)cc1 22693618 CJGYAFOAKDRAHV-UHFFFAOYSA-O 449.543 5.976 30 20 IKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1Cl 33146370 SWVJPQBTQBWKTN-UHFFFAOYSA-N 444.112 5.044 30 20 IKED N#Cc1ccccc1N1CCCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1 60664155 JOTVGICPSIPLCJ-UHFFFAOYSA-N 448.526 5.233 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCC(=O)N(C(C)C)C(C)C 140098566 BEHSZGZFSPRBHZ-NTUHNPAUSA-N 427.516 5.145 30 20 IKED N#Cc1c(Cl)nsc1N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 301275415 RZKAKTIQJKWCCT-UHFFFAOYSA-N 427.892 5.014 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)nnc1-c1cccnc1 302986150 VFRRSJHVSBYNAI-ZWKOTPCHSA-N 443.576 5.037 30 20 IKED Cc1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)ccc1C(=O)NC(C)C 303710222 YVWVJUAJESTNKQ-UHFFFAOYSA-N 447.922 5.703 30 20 IKED C[C@H](NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nc(C(F)(F)F)cs1 426212454 YYYSSSCLHNSQBJ-KGLIPLIRSA-N 444.482 5.822 30 20 IKED COc1ccc(CN2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)cc1OCCCC#N 430107263 RSIKSLGLZHLRMK-HXOBKFHXSA-N 448.485 5.359 30 20 IKED COc1ccc([C@H](CNC(=O)[C@H](C#N)CCc2ccccc2)c2c[nH]c3ccccc23)cc1 433225203 AIOURKXNBMPPQF-DHLKQENFSA-N 437.543 5.197 30 20 IKED CC(=O)Nc1cc(OCCCCC(C)(C)C#N)c(Br)cc1Br 436245875 WXCAXUQGYJGIOU-UHFFFAOYSA-N 432.156 5.269 30 20 IKED N#CCC[C@H](NC(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccccc1 438849562 RZOAERMCWFUEJH-QFIPXVFZSA-N 444.501 5.014 30 20 IKED Cc1cc(C#N)ccc1C(=O)N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21 439002078 QJLQFULCUSHCPT-UHFFFAOYSA-N 428.467 5.243 30 20 IKED N#CCC[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1)c1ccccc1 439445151 YCUKIFFPHCPZKO-QFIPXVFZSA-N 433.895 5.232 30 20 IKED C=CCNC(=O)Nc1ccc(N[C@@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 439552906 RQTRIKLQVIKDCJ-LBPRGKRZSA-N 431.380 6.205 30 20 IKED N#CC1CCC(CNC(=O)c2ccccc2Sc2ccc(Br)cn2)CC1 441138119 DUKUOXYTNKWCSV-UHFFFAOYSA-N 430.371 5.055 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccc(Cl)c(C(N)=O)c1)c1ccc(C(F)(F)F)cc1 441606449 BSHZZCQEUCRBFJ-QGZVFWFLSA-N 425.838 5.287 30 20 IKED COc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)sc(C)c1Br 442687500 YFVLTEBJMXKBBN-CYBMUJFWSA-N 447.379 5.750 30 20 IKED CN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444022770 IQLLZXSHQFKXJI-INIZCTEOSA-N 440.334 5.819 30 20 IKED CCO[C@H](C)c1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)s1 463498193 FWIJOMUDLBSFAG-CQSZACIVSA-N 425.485 5.083 30 20 IKED CSc1cccc([C@@H](NC(=O)NCc2cc(C#N)ccc2F)c2cc(F)ccc2F)c1 466192791 IQYXHQXWBNOGQJ-JOCHJYFZSA-N 441.478 5.286 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)c1C#N 467707306 XINMYBDQAYIOMS-UHFFFAOYSA-N 429.948 5.307 30 20 IKED CC(=O)c1c(F)cccc1N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469561817 HTPAGRWDBSZHEZ-KRWDZBQOSA-N 435.339 5.644 30 20 IKED CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 470143946 AVPYCEPYBPYGRD-IBGZPJMESA-N 438.531 5.867 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cc2nccnc2cc1F 471166888 YQSFHBYFTJYAEJ-MRXNPFEDSA-N 431.311 5.211 30 20 IKED C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccccc1C 479786127 RWRPBHLYFGWSAI-UHFFFAOYSA-N 426.973 5.441 30 20 IKED C=C(C)[C@H](NC(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl)c1ccc(F)c(F)c1 480560945 WIBCZJCGPWMOBK-FQEVSTJZSA-N 435.902 5.538 30 20 IKED C=C(C)[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1)c1ccc(F)c(F)c1 480812062 KSXFYWBNXNFJAX-OAQYLSRUSA-N 425.435 5.557 30 20 IKED CC(C)CN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H]1CCCc2cccnc21 481339855 NMJHPPVYXWQZOL-KNQAVFIVSA-N 436.625 5.307 30 20 IKED Cc1cc(C)c(C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1I 483439859 LJDBYBVXEPSHBQ-ZDUSSCGKSA-N 432.286 5.008 30 20 IKED Cc1nc(-c2ccccc2)ncc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 484100035 VXPBOCRXVKFZRN-HNNXBMFYSA-N 432.455 5.344 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc(C(F)(F)F)cs1 488352640 SZMZKANIVPLQEE-GFCCVEGCSA-N 432.427 5.709 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CCc2ccc(-c3ccccc3)[nH]2)cc1 490653510 UVIVKOKOOSRNAX-UHFFFAOYSA-N 435.527 5.898 30 20 IKED COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)NC2(c4cccc(C#N)c4)CC2)CCC3)cc1 496646812 CTQNGWOSZVJYGX-NRFANRHFSA-N 444.560 5.056 30 20 IKED Cc1cc2occ(CC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c2cc1C(C)C 501693522 XJISRLSQZBAERK-UHFFFAOYSA-N 443.547 5.156 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1nc2ccccc2[nH]1 503515391 HFHYJGLTZQHAGM-MRXNPFEDSA-N 433.265 5.003 30 20 IKED C[S@@](=O)c1ccc(NC(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1F 506676568 KYARAGJHVRRBTM-MLNJSSBLSA-N 442.356 5.007 30 20 IKED CC1CCC(Oc2cc(CNC(=O)Nc3ccccc3S[C@@H](C)CC#N)ccn2)CC1 506862012 FGWXKIFJFWCKLL-FDYSRKEFSA-N 438.597 5.755 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(Cc1ccccc1Cl)CC1CC1 506975350 YAGJSTCZCJLBKK-INIZCTEOSA-N 441.984 5.112 30 20 IKED CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C(C)(C)C)C3)o1 509949415 RRQCYIKAXQEBDG-OYHNWAKOSA-N 446.642 5.096 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CC=C(c4ccc(F)cc4)CC3)c2)c1 511455841 JFOFUWKICMKJNJ-UHFFFAOYSA-N 440.478 5.271 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ncc(-c2ccccc2Br)o1 512516671 JWPZNJXMWQAQNB-UHFFFAOYSA-N 429.362 5.460 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2cccc(Cl)c2)C(C)C)cc1 513875105 VRTIHSYHYIHDAU-UHFFFAOYSA-N 425.960 5.597 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1OC1CCCC1 515540429 STBURGDUSFOVQX-INIZCTEOSA-N 426.925 5.770 30 20 IKED Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c12 517456368 IZWFWYLHEILSBD-HNNXBMFYSA-N 428.517 5.702 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccc(Cl)cc4)c3C)n2)cc1 517800733 FKRQUJMPVAHPSZ-IBGZPJMESA-N 448.935 5.456 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 518025121 GIXAYRNHFXNXAW-QGZVFWFLSA-N 432.332 5.332 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCCN(Cc4ccccc4)CC3)cc2)c1 518255797 RGFHYCRYNVMVLH-UHFFFAOYSA-N 426.520 5.090 30 20 IKED CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 518387254 BTIOMEPJVBCTNW-UHFFFAOYSA-N 427.504 5.279 30 20 IKED CN(C(=O)c1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1)c1ccccc1 519099510 YNCMIBMACBPPQN-UHFFFAOYSA-N 447.494 5.879 30 20 IKED CC[C@@H](CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 520072445 QLKPNPUYIZWKJL-FDDCHVKYSA-N 445.950 5.244 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)cc1NC(=O)c1ccccc1F 522830632 KJWFDANYQDKPPL-GOSISDBHSA-N 426.451 5.061 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)c1 523285268 GHJBQOUARXINQC-NRFANRHFSA-N 438.430 5.139 30 20 IKED Cc1cc([N+](=O)[O-])ccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 523961207 DVAJOTYIAJJULW-HNNXBMFYSA-N 432.288 5.824 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(CN4CCCCCC4)cc3)o2)cc1 524415150 KJHHOSXFBTUTDG-UHFFFAOYSA-N 429.520 5.359 30 20 IKED CC(C)Oc1ccc(CC[C@@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 524565905 JIFUNKLSWIQVCB-RBUKOAKNSA-N 425.598 5.868 30 20 IKED CN1CCC[C@H](CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@@H]1c1cccs1 524645299 MNKDSKCOHVXBQS-HOYKHHGWSA-N 449.551 5.364 30 20 IKED N#CCCN(C(=O)CCC(=O)N1CCC[C@@H]1c1cccc2ccccc12)c1ccccc1 524690229 KDTTWONTURFCRQ-RUZDIDTESA-N 425.532 5.230 30 20 IKED COc1ccc([C@@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c(Br)c1 527292808 VRYYYXGYGBZPCJ-OAHLLOKOSA-N 442.357 5.214 30 20 IKED CN(C(=O)c1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1)c1ccccc1 533874969 CGICHQBUCXNHEW-UHFFFAOYSA-N 438.512 5.211 30 20 IKED Cc1ccc(-c2csc(N(C(=O)[C@@H](C)n3cnc(C#N)n3)c3cc(C)ccc3C)n2)cc1 537303662 QQXWNPLLOFISGH-GOSISDBHSA-N 442.548 5.124 30 20 IKED Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1ccccc1Oc1ccccc1C#N 538680851 RUHAJZATKXBTOR-UHFFFAOYSA-N 447.494 6.164 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NC(c2cccs2)c2cccs2)n1 541105034 SWGGIZDMISQHHJ-UHFFFAOYSA-N 439.953 5.431 30 20 IKED N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)n1 541924815 MFMXWVDRUWWYSO-QFIPXVFZSA-N 428.471 5.123 30 20 IKED FC(F)(F)c1cc([C@H](NCc2nc3ccccc3o2)C(F)(F)F)cc(C(F)(F)F)c1 542123735 RXBIQMCGZIXIEQ-HNNXBMFYSA-N 442.281 6.259 30 20 IKED Cc1ccc(C2CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)cn1 542182567 IEMGUKGDGAWPFQ-UHFFFAOYSA-N 427.573 5.574 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)N1CCC[C@H](C(F)(F)F)C1 543620860 RXPOCKGQYKFBSZ-STQMWFEESA-N 436.318 5.683 30 20 IKED CSc1cc(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c(Cl)cc1Cl 552691986 CXROELVPSJERBT-UHFFFAOYSA-N 439.339 5.410 30 20 IKED Cc1nc(C2(NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CCCCC2)no1 554130931 AHZHFGAMYFSPSW-FQEVSTJZSA-N 449.942 5.668 30 20 IKED CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1S[C@H](C)CC#N 561409309 ZNVKRHJKCPKPGS-MRXNPFEDSA-N 435.515 6.542 30 20 IKED N#CC1(c2ccccn2)CCN(Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC1 568535090 RJQXNWAMMSAKBN-UHFFFAOYSA-N 439.588 5.112 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)Cn1c(C(F)(F)F)nc2ccccc21 572313427 RBAAMPFBEIMJCU-UHFFFAOYSA-N 434.421 5.160 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1csc([C@H](C)OCC)n1 580702759 VFGXALDKZIFZPB-KRWDZBQOSA-N 448.596 5.260 30 20 IKED CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccc(OC)c(OC)c1 588235600 JLLGZDJKVFLKEW-HXUWFJFHSA-N 432.480 5.036 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCc4c(Cl)cc(Cl)cc4C3)cc2)ccn1 589363322 QINGAUDIMQHHHO-UHFFFAOYSA-N 439.302 5.643 30 20 IKED C=C(C)COc1cccc(NC(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)c1 589382497 FEUCNCOSGGANNQ-UHFFFAOYSA-N 440.952 6.169 30 20 IKED CC(C)[C@@H](NC(=O)Nc1cccc(C#Cc2ccccc2)c1)c1nc(-c2cccnc2)no1 591486530 GZXBYEMYWDJAPU-HSZRJFAPSA-N 437.503 5.050 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC[C@@H](c2ccccc2F)C1 593513532 VSLLLUYUAXNVPO-MQYQWHSLSA-N 426.376 5.234 30 20 IKED C[C@@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604153015 BARSCHIJBZVKRJ-HTAPYJJXSA-N 431.923 5.154 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(-c2ccc(F)cc2F)c1C 604358635 KAOKSWDROPQIIV-UHFFFAOYSA-N 444.441 5.684 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ncc(-c3ccccc3)o2)cc1 608785856 XHQJKIKYWAHYJP-UHFFFAOYSA-N 440.478 5.264 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2cccc(F)c2)cc1C 609079522 FQGMCQDTBAVODD-UHFFFAOYSA-N 449.482 5.841 30 20 IKED N#CCN1CCC(NC(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)c(F)c2)CC1 609338777 ICEDFRCOVPZOTH-UHFFFAOYSA-N 437.302 5.034 30 20 IKED CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 609927866 GDXQLNWQYGUDRQ-OYHNWAKOSA-N 436.899 5.297 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3nc(C(F)(F)F)cs3)c2)cc1 610141368 CQWPEFKVDCZJFF-UHFFFAOYSA-N 446.454 5.129 30 20 IKED CC(=O)N(c1nc(CN[C@H](C)c2cccc(C#N)c2)cs1)c1c(C)cc(C)cc1Cl 611388982 VKQDIUGIFSYFQT-MRXNPFEDSA-N 438.984 5.820 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4cc(Br)ccc4o3)n2)cc1 613318212 PHHUBBXDZMYVJF-MRXNPFEDSA-N 437.318 6.117 30 20 IKED Cc1nc(COc2ccccc2C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cs1 613407641 ZZABNUXHMWKWKU-INIZCTEOSA-N 439.949 5.784 30 20 IKED O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccc(C(F)(F)F)c(O)c1 644638175 XAIOTPCCXUATNY-UHFFFAOYSA-N 433.283 5.007 30 20 IKED CC[C@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)c1ccccc1OC(F)F 674428581 ZKURGXPFPCGNCV-UTUOFQBUSA-N 434.327 5.121 30 20 IKED CCOc1ccc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1 674569594 DIMIVLASILIHDN-QWRGUYRKSA-N 438.290 5.309 30 20 IKED O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)c1cnn(CC(F)(F)F)c1 682477182 SLYIBZIDIPJBOU-UHFFFAOYSA-N 447.310 5.648 30 20 IKED COc1ccc(C(C)=NNc2nc(C(F)(F)F)nc3ccccc23)cc1Br 725833004 RDMAMUMLDLDYBC-UHFFFAOYSA-N 439.235 5.256 30 20 IKED COc1cc(C=NNc2ccc(OC(F)F)cc2)c([N+](=O)[O-])cc1OCc1ccccc1 726427245 TWLMFTDILAGOGA-UHFFFAOYSA-N 443.406 5.230 30 20 IKED CCCN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCN(Cc2ccccc2)C1 726490281 WYAAHBRONJUKEC-OAQYLSRUSA-N 427.017 5.285 30 20 IKED Cc1cc(COc2ccc(/C=C\C(=O)c3sccc3Br)cc2)oc1C(=O)O 729936591 DMODMZJRIZLJRX-DAXSKMNVSA-N 447.306 5.585 30 20 IKED Cc1ccccc1COc1cccc(CC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1 730071904 UFDALGJWKQTLQW-OAQYLSRUSA-N 445.469 5.738 30 20 IKED C[C@@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1nc2ccccc2n1C(F)F 731961795 WJXLZSAHWKHHSA-CQSZACIVSA-N 434.402 5.408 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cccc(COc2cccc(F)c2)c1 734080028 HSZFTLVYRHKWCM-DEOSSOPVSA-N 438.458 5.519 30 20 IKED CC(=O)N(c1nc(/C=C(\C(=O)c2nc3ccccc3s2)c2ccccc2)cs1)C1CC1 734306001 JDMWPYOMFKRKGV-UYRXBGFRSA-N 445.569 5.692 30 20 IKED C=CC[C@@H](NC(=O)N1CCC[C@@H]1c1cc(Br)ccc1OC)c1ccncc1 734684436 RKJKGMJBHOILKV-RTBURBONSA-N 430.346 5.017 30 20 IKED N#C[C@@H](C(=O)Cc1c[nH]c2ccc(F)cc12)c1nc(-c2ccc(Cl)cc2Cl)cs1 734706434 HOPFYRQCRSFIMG-INIZCTEOSA-N 444.318 6.156 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN(CCc2ccc(Cl)cc2)CC2CC2)c1=S 735074714 ZXJICJADJPUWGY-UHFFFAOYSA-N 440.016 5.228 30 20 IKED C[C@@H](OC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nnc(-c2ccccc2)o1 735162328 CVZIPSRLCPPRBE-OAHLLOKOSA-N 445.862 5.972 30 20 IKED C[C@@H](OC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1nc(O)c2ccccc2n1 735165774 QPYIBQXMIKDMJR-CQSZACIVSA-N 445.862 5.571 30 20 IKED COc1ccc(C=Nn2c(S)nnc2COc2cc(C)ccc2C(C)C)cc1Cl 741462373 NTNOWUNNSXVZBX-UHFFFAOYSA-N 430.961 5.122 30 20 IKED CC(C)(C)c1ncc(/C=C/C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)s1 742625066 IKYRSYWAYPHXOH-DGXIYAMASA-N 431.561 5.414 30 20 IKED C[C@H](OC(=O)[C@@H](Sc1ccccc1F)c1ccccc1)C(=O)Nc1ccccc1C#N 744973693 FBHOLGKIDOJDMV-AOMKIAJQSA-N 434.492 5.101 30 20 IKED C[C@@H](OC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nc(Cc2ccccc2)no1 745038231 DRCRTORTNLNIAL-GOSISDBHSA-N 439.471 5.029 30 20 IKED CC(=O)N(c1nc(/C=C2/CCOc3ccc(C)cc3C2=O)cs1)c1ccc(F)cc1F 746005855 ZNRFGMGLVADCPI-GDNBJRDFSA-N 440.471 5.463 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3cccc(C(C)=O)c3)n2)cc1 747029285 MDSMKQDNTUSDFE-OAQYLSRUSA-N 434.517 5.057 30 20 IKED C#CC[C@H](OC(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(C)C 747195640 HWFNZLJIOSNURL-QAPCUYQASA-N 440.590 5.277 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1ccc2ccccc2c1 749101088 AMXLVZUJJMEXBX-UHFFFAOYSA-N 429.358 6.126 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)cc1 751082518 AKVZIYIWJDYBOU-DWJCEPTDSA-N 429.564 5.146 30 20 IKED O=C1CSc2sc(C(=O)/C=C/c3cccc(Br)c3OC(F)F)cc2N1 758027947 YHIDMFCUQIIOBV-SNAWJCMRSA-N 446.294 5.052 30 20 IKED CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 759832454 CIYRXYANOSRXQI-RDJZCZTQSA-N 433.961 5.189 30 20 IKED COc1ccccc1[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccn1 760732358 ABEQVZQMQYXMJO-IGKIAQTJSA-N 448.526 5.657 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(F)cc2OCC#N)c(C)c1 760785667 DOJMUQFGAMHMHD-UHFFFAOYSA-N 440.478 5.450 30 20 IKED C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CCO[C@@H](c2cccc(C#N)c2)C1 761760713 LFGZNRGJZCEQKX-ORAYPTAESA-N 429.307 5.050 30 20 IKED Cc1ccc(COc2cccc(NC(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)c2)cc1 761858636 SFRYUQDPRPRXRE-RUZDIDTESA-N 427.504 5.051 30 20 IKED C#CCN(C(=O)C1CCC(C(F)(F)F)CC1)[C@H]1CCOc2ccc(Br)cc21 766666511 ORZJKLTXJWMTHS-KVULBXGLSA-N 444.291 5.103 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC1CCC(O)(c2cccnc2)CC1 771126866 JKFUAWIHBNTEKU-UHFFFAOYSA-N 442.519 5.006 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(CC(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1 772403617 FUELDNSNKHWACY-GOSISDBHSA-N 434.323 5.264 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc1 775487553 KJOXXVVGQCDTKK-ISKFKSNPSA-N 449.913 5.740 30 20 IKED C#CCOc1ccccc1NC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 775946199 OEOMUNDDJOMOJF-HNNXBMFYSA-N 426.925 5.267 30 20 IKED C=CCSc1ccccc1C(=O)OCc1nnc(-c2c(-c3ccccc3)noc2C)o1 777076648 UMIYUUJNPWEPRW-UHFFFAOYSA-N 433.489 5.335 30 20 IKED CC(C)OC(=O)NCc1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1 778003385 LEWBRDCIJONQDT-UHFFFAOYSA-N 429.476 5.237 30 20 IKED C#CCOc1cccc(Cl)c1CNc1cccc(CS(=O)(=O)Cc2ccccc2)c1 778172898 BMHDBCFQGMTCKE-UHFFFAOYSA-N 439.964 5.079 30 20 IKED COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)Nc1ccccc1O[C@@H](C)C#N 780679417 WWPSRMACQPJNNW-KSSFIOAISA-N 444.329 5.118 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)C1(c2ccc(C#N)cc2)CC1 781042065 WAAPRVXZQPCMQT-JOCHJYFZSA-N 431.536 5.131 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCCCNC(=O)OC(C)(C)C 781969844 LTKHPBDQUSVBNT-UHFFFAOYSA-N 439.531 5.234 30 20 IKED C[C@H](OC(=O)C1(Nc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C#N)cc1 783082124 CBMGDMZTEBESSD-IBGZPJMESA-N 449.551 5.044 30 20 IKED CCCc1c(NC(=O)c2nc(-c3ccccc3F)oc2C)cnn1-c1cccc(C#N)c1 784710872 AGUZNEYULXLHJN-UHFFFAOYSA-N 429.455 5.051 30 20 IKED COc1ccc(C(=O)/C=C/c2ccc(Br)cc2C(F)(F)F)cc1NC(C)=O 794936723 YWSDDQDWLWYZBW-QPJJXVBHSA-N 442.231 5.331 30 20 IKED Cc1csc([C@@H](C#N)C(=O)C(C)(C)c2csc(-c3c(Cl)cccc3Cl)n2)n1 796737415 AJADTGGDGGZRRU-NSHDSACASA-N 436.389 6.036 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(CC(F)(F)F)C2=O)c1 799212753 XZFIXHWFGMYVMS-GOSISDBHSA-N 449.498 5.134 30 20 IKED C#CCOc1ccccc1-c1noc(-c2c(-c3c(Cl)cccc3Cl)noc2C)n1 809397443 STNCWRMFVSXLQU-UHFFFAOYSA-N 426.259 5.686 30 20 IKED N#C[C@H](C(=O)CN(Cc1ccco1)c1cccc(Cl)c1)c1cc(C(F)(F)F)ccn1 813211247 GUCGOIOAANZEGQ-SFHVURJKSA-N 433.817 5.230 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N2c3ccccc3Sc3ccccc32)nnc1C1CC1 831937119 QPCAPGMSAMZROT-OAHLLOKOSA-N 434.590 5.652 30 20 IKED N#C[C@H](C(=O)CCCn1c(=O)oc2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1 915102256 URBSQIRBBREZIT-MRXNPFEDSA-N 437.908 5.028 30 20 IKED N#C[C@@H](C(=O)COc1ccc(F)cc1Cl)c1nc2cc(C(F)(F)F)ccc2s1 915103690 BSPCFXDZCTZNBQ-NSHDSACASA-N 428.794 5.363 30 20 IKED COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)o1 915849048 QYZWTKTXWSWLDJ-DEDYPNTBSA-N 432.501 5.242 30 20 IKED COc1cc([C@H](C)/N=C\c2cc(Br)ccc2O)ccc1OCc1ccncc1 915981693 VWZSODDKZOIMAG-UXIIITNFSA-N 441.325 5.317 30 20 IKED O=C(O)C(=O)/C(=C/c1ccc(-c2nc3ccccc3s2)o1)c1ccc2ccccc2n1 916138206 XMQACKPOOSIFRZ-DTQAZKPQSA-N 426.453 5.299 30 20 IKED CC(C)(C)c1nnc(S)n1N=Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 916308300 DIBFAPROIZBQLO-UHFFFAOYSA-N 431.905 5.100 30 20 IKED N#C[C@H](C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1ccc2ccccc2n1 916848231 HFECZIOMYLCUDG-IBGZPJMESA-N 433.920 5.343 30 20 IKED CC(C)(C)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1[N+](=O)[O-] 916886520 HLDZQGWLNMHYDC-HNNXBMFYSA-N 447.463 5.168 30 20 IKED CC(C)(C)Cn1c(O)nc2cccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c21 1125073609 VVDIRXCZZSUVPK-UHFFFAOYSA-N 441.491 5.099 30 20 IKED N#Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(-c3cccc(Cl)c3)nc2O)nc1 1436869097 SHQJCZOAYDCYDD-UHFFFAOYSA-N 440.890 5.221 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc(OC)ccc5o4)CCC3)cc2)C1 1785807543 IOLZVSNQIYQNIE-UHFFFAOYSA-N 430.504 5.155 30 20 IKED COc1ccc(Cl)cc1C(=O)NC1(c2ccc(NC(=O)[C@@H](S)C(C)C)cc2)CCC1 1786393564 FKXQAGHBZADCKA-FQEVSTJZSA-N 447.000 5.051 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(F)c(OCC)c(Cl)c3)CCC2)cc1 1792268353 LSWXUKUMSTXOOW-UHFFFAOYSA-N 442.918 5.039 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OC(C)C)c(Cl)c1)C2 1792573126 IZZAZKLGHJFOLX-ACDBMABISA-N 447.019 5.371 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c(-c3ccc(C)cc3)c2)n[nH]1 1816101576 LYXWTUABHZIMTD-MBSDFSHPSA-N 445.567 5.231 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccnc3ccccc23)n[nH]1 1818440684 ZYDAVEPQZCQPCB-HSZRJFAPSA-N 443.551 5.032 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3ccccc3o1)CC2 1820098241 QVYDEBXQLQPVKB-INIZCTEOSA-N 437.565 5.108 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)C1 1845932488 UWZBRIHKQWDLPW-FGZHOGPDSA-N 429.004 5.051 30 20 IKED C=CCn1c(SCc2nnc(-c3ccco3)o2)nc2sc(-c3ccccc3)cc2c1=O 10813027 QIBYAFUIRRITAF-UHFFFAOYSA-N 448.529 5.246 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2ccccc2)cc1 14872563 YSSPOXMUSZORLP-UHFFFAOYSA-O 445.486 5.486 30 20 IKED C[C@H](OC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)Nc1c(F)cccc1F 15806210 UGXWWEZJWHBTBZ-AWEZNQCLSA-N 438.455 5.172 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3cccs3)o2)nc2sc3c(c2c1=O)CCC3 17652976 XUPJWSWZWYCEFD-LLVKDONJSA-N 442.591 5.098 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)nnc1-c1cccc(C)c1 21334012 KIRNORVBIOGHJR-SFHVURJKSA-N 448.592 5.398 30 20 IKED CC(C)c1ccc(NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(C(C)C)c1 58052092 SVMJTZBYSWFTCF-UHFFFAOYSA-N 447.539 5.407 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(=O)CCC)cc2)nnc1-c1ccccc1 58893820 BJHQJRRVJTUSQB-QGZVFWFLSA-N 434.565 5.233 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)cc1 116156309 PQVUILQHZNKHLG-DEOSSOPVSA-N 439.559 5.182 30 20 IKED C=CCOc1ccc(/C=C\C(=O)O[C@@H](C)c2nc3ccccc3n2C(F)F)cc1OC 206161279 GOMIOKIYBOTCLT-WQTVUKCASA-N 428.435 5.322 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1 303510135 BELIHHKYUUCXPF-JOCHJYFZSA-N 439.540 5.724 30 20 IKED CCCOc1ccccc1Oc1ncccc1C/N=C(/N)Nc1ccc(OC)c(Cl)c1 303871369 BPZLOFIGGLXKJO-UHFFFAOYSA-N 440.931 5.252 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cn1 428599559 VKZAGSMALNAHRD-UHFFFAOYSA-N 434.883 5.146 30 20 IKED CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 429043546 BFCLVPYDBLSODS-PNVADGIISA-N 445.972 5.205 30 20 IKED CC[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 429358478 UUHQVKOOKPEBLB-QFIPXVFZSA-N 445.519 5.164 30 20 IKED COc1ccccc1NC(=O)c1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1 432619318 DVEAWKYOZSWCGQ-JOCHJYFZSA-N 442.519 5.504 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC2(CCN(Cc3ccccc3)CC2)C1 433126403 OLBDDMXHDSHFAM-OAQYLSRUSA-N 448.636 5.458 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)cc1 437915443 MSFJXLZTTPPTBI-UHFFFAOYSA-N 446.378 6.117 30 20 IKED N#Cc1cc(NC(=O)NC2CCN(C3CC3)CC2)ccc1Oc1ccc(C(F)(F)F)cc1 438520743 XTCPHTIHYSJQBA-UHFFFAOYSA-N 444.457 5.118 30 20 IKED CN(C)c1cccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 438666856 AFSNGWFHRAHBQC-QHCPKHFHSA-N 444.510 5.925 30 20 IKED N#Cc1cccc(-c2nnc(CN(Cc3ccccc3OC(F)(F)F)C3CCCC3)o2)c1 441466405 AAVHVMWCQROLNN-UHFFFAOYSA-N 442.441 5.452 30 20 IKED COc1ccc(-c2csc(NC(=O)c3cn(CCCC#N)c4ccccc34)n2)cc1F 444174457 XBPOGBLAPHKGIB-UHFFFAOYSA-N 434.496 5.469 30 20 IKED N#CCCCn1cc(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)c2ccccc21 444281326 AKEXNVIUCPZDHT-UHFFFAOYSA-N 448.530 5.185 30 20 IKED O=C(Cc1noc(-c2ccc(F)c(C(F)(F)F)c2)n1)Nc1ccccc1C(F)(F)F 445416018 GYYCYCMMZGBDDT-UHFFFAOYSA-N 433.283 5.095 30 20 IKED CCCc1c(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cnn1-c1cccc(C)c1 446400756 ONVVPESYZABGIB-UHFFFAOYSA-N 425.536 5.326 30 20 IKED CCOc1ccc([C@H]2CCCN2C(=O)CSCc2ccc(C#N)cc2OC(F)F)cc1 447023967 RTOOUICSNZXYGL-HXUWFJFHSA-N 446.519 5.155 30 20 IKED C[C@@H](C#N)CN(C)C(=O)Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1 448158037 YTXZCPDBINSSLR-LBPRGKRZSA-N 429.343 5.349 30 20 IKED CN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1)c1ccc(C#N)cc1 461549316 QZQVPZGRCYNABN-UHFFFAOYSA-N 443.510 5.295 30 20 IKED Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 464472494 OULAGXAJQXYCSM-LBPRGKRZSA-N 440.208 5.861 30 20 IKED Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 464931553 KUHWTPVECINRKQ-UHFFFAOYSA-N 427.504 5.358 30 20 IKED CC[C@@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc(C(F)(F)F)cs1 465255071 GNYBFFZUQGYIJD-GOSISDBHSA-N 445.466 5.901 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(F)cc2Br)cc1C 465459327 SSEHCFUPLRKZDB-UHFFFAOYSA-N 441.304 5.235 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 466449005 OCELMESAGLGUBK-KRWDZBQOSA-N 433.325 5.385 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2c(CCC)cccc2C(C)C)nnc1-c1ccco1 472686172 WDDOJTYXSROJMM-UHFFFAOYSA-N 438.597 5.921 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCc1csc(-c2cccs2)n1 481397408 DSCPDMZAGBZNBP-UHFFFAOYSA-N 426.592 5.520 30 20 IKED N#C[C@H](C(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)c1cnc2ccccc2n1 483225994 GEKVNOCRHFWGLG-SFHVURJKSA-N 435.512 5.093 30 20 IKED C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 483329123 CSIXKHQXSNLSGV-JXXFODFXSA-N 447.526 6.715 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)cc1 483479921 FVSSHNVSFFWBII-AREMUKBSSA-N 443.522 6.230 30 20 IKED N#Cc1cc2c(nc1NC(=O)c1cccc(NC(=O)CCCc3cccs3)c1)CCCC2 484144551 KWSNDXKSFMESFR-UHFFFAOYSA-N 444.560 5.107 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cc2sc(C)nc2cc1Cl 484296660 YWIZDFXNLHSCOE-UHFFFAOYSA-N 440.377 5.126 30 20 IKED CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)CSc1ccc(C#N)cc1 486954783 LOBMOPTUDSTYBY-UHFFFAOYSA-N 436.556 5.051 30 20 IKED COc1cc(CN[C@@H](c2ccc(F)cc2)C(F)(F)F)ccc1OCc1cccc(C#N)c1 488154848 WNPMLNIKMOIUIG-QHCPKHFHSA-N 444.428 5.678 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)COc2ccc(Cl)c(C(F)(F)F)c2)cc1 498058795 XMKZVHGMKCNJGG-UHFFFAOYSA-N 426.822 5.083 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccccc3OC[C@@H]3CCCO3)c2)cc1 501440113 BYRUCQNUFZKKAD-DEOSSOPVSA-N 442.515 5.142 30 20 IKED CC(C)CCOc1cccc(NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)c1 502052852 DUIUNDPAOHFLJI-UHFFFAOYSA-N 447.495 5.049 30 20 IKED COc1cc(-c2noc(-c3ccc(Oc4ccc(C#N)cn4)cc3)n2)ccc1OC(F)F 504355459 KNXGQHIPHFLRFB-UHFFFAOYSA-N 436.374 5.073 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccc(C#N)cc3)n2)o1 504552251 BHEZTAPLVCWTEP-UHFFFAOYSA-N 442.422 5.143 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCN([C@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 505016139 CEDFGLWCSLZJFD-HXUWFJFHSA-N 445.567 5.074 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)cc1 505686532 QZANJHGEFNJTFY-QHCPKHFHSA-N 444.487 5.169 30 20 IKED Fc1cccc(F)c1-c1nc(CN[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)co1 505850043 DIDOIWBSHRLQMS-MRXNPFEDSA-N 436.302 6.032 30 20 IKED C=CCOc1ccccc1CNC(=O)N[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C 506180549 XJUOFPLUUXXZAA-QGZVFWFLSA-N 437.565 5.252 30 20 IKED CCC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1nnc2ccccn12 506310860 ZNPKTQFUPZVFLR-QFIPXVFZSA-N 440.507 5.365 30 20 IKED C=CCn1c(SCCCCCn2cccn2)nnc1-c1ccc(Br)cc1 511089411 KFXRONXODNBWIS-UHFFFAOYSA-N 432.391 5.053 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 512937437 NJCMWAAUZWKZOA-LBPRGKRZSA-N 442.978 5.842 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2ccccc2-c2ccccc2)cc1 513874703 PNTTYHUNRVBYSS-UHFFFAOYSA-N 439.559 5.832 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 515457185 BXKMBDLPLOSUFI-UHFFFAOYSA-N 430.523 5.046 30 20 IKED N#Cc1ccc(S(=O)(=O)Nc2ccccc2COCc2ccccc2)c(C(F)(F)F)c1 515633323 ZWCKVRBOOBSHCR-UHFFFAOYSA-N 446.450 5.095 30 20 IKED CCN(Cc1ccccc1C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 516009700 BXANALPFDCITFQ-QHCPKHFHSA-N 445.950 5.291 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](c1ccccc1)c1nccn1C 516227724 YDDWRGZVGSBTGC-XMMPIXPASA-N 437.503 5.304 30 20 IKED Cc1cc([C@H](C#N)C(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)nc(C)n1 516267297 XCZHGIMSTXQYRN-KRWDZBQOSA-N 440.272 5.277 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 517343653 MBOYUCQZEQDKFB-LJQANCHMSA-N 447.753 5.373 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(F)cc(Br)c3)n2)cc1 518516479 GCWMPIKDABIEBV-INIZCTEOSA-N 426.270 5.073 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCc2nc3ccccc3[nH]2)cc1Cl 520588921 CDPXRVVJSYLOMA-FQEVSTJZSA-N 443.938 5.626 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)N[C@H](c3ccccc3)c3cccc(Cl)c3)CC2)c1 520620221 SOMOKBIJZQEYGJ-RUZDIDTESA-N 445.950 5.554 30 20 IKED COCCSc1ccc([C@@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 521746285 FFHGIBCTWAJRPC-DLBZAZTESA-N 429.611 5.560 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 521810813 FRTAFEDXFVKRBH-XXBNENTESA-N 427.573 6.260 30 20 IKED CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 521953770 SWTBMVMPNGKEHY-LJQANCHMSA-N 441.531 5.460 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 522645257 KWBRETDSMJFZDS-GTJPDFRWSA-N 433.936 5.304 30 20 IKED CC[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(F)cc1F 523473461 ZTQNBAKPFBLING-XMMPIXPASA-N 437.465 5.839 30 20 IKED CCCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)cc1OCC 524032591 YSYCDUPMSNWPTF-MRXNPFEDSA-N 425.916 5.592 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)c1C 524147045 OCQVORDPMUDEQV-UHFFFAOYSA-N 440.503 5.003 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N(Cc3cccs3)C[C@@H]3CCCO3)c2)cc1 524664222 JNEXRTOOFMRMLC-QFIPXVFZSA-N 433.533 5.625 30 20 IKED CCO[C@H](C)c1nc(CSc2nc3ccccc3c(=O)n2-c2ccc(C#N)cc2)cs1 525110100 RQKTWMCTVZNORZ-OAHLLOKOSA-N 448.573 5.104 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1ccccc1)c1ccc(F)cc1 533055460 QQSQMWPOHOPSLS-BVZFJXPGSA-N 433.552 5.395 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)cc2)cc1 537249819 XHRAZKFNPRXYMH-RPWUZVMVSA-N 434.442 5.083 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@H]2CCC(C)(C)c3cccc1c32 537385061 VLHSRNVWTWWCQI-CBGDNZLLSA-N 447.604 5.436 30 20 IKED COc1cccc([C@@H]2CN(C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CCO2)c1 543942420 KXGCVLNSAJFTGB-BCHFMIIMSA-N 441.531 5.078 30 20 IKED CCC[C@@H](NC(=O)c1ccccc1)c1noc(-c2ccc(COc3ccccc3C#N)o2)n1 545783394 OCXGPMTUBAPDDD-HXUWFJFHSA-N 442.475 5.051 30 20 IKED C[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1cccc(NC(=O)Cc2ccccc2F)c1 548610143 ZWKIKQJTUNISPV-OAHLLOKOSA-N 435.886 5.023 30 20 IKED N#CCCC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1)c1ccccc1 551596382 SBHINHAWIZFNMZ-NRFANRHFSA-N 448.910 5.017 30 20 IKED CC(C)c1cc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c2cnn(C(C)C)c2n1 553520418 OUFPURPKOAASJQ-GOSISDBHSA-N 430.339 5.437 30 20 IKED CCCN(C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H](C)c1cc2ccccc2o1 563720986 HGGIDANMOMWILC-MSOLQXFVSA-N 449.576 5.765 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3nc(-c4ccccc4F)cs3)c2)c1 564536008 BEJUXVAXVHVNOU-UHFFFAOYSA-N 429.520 5.690 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](C(F)(F)F)C(C)(C)C1 567065128 QDFRUVAEKIJWGI-UFYCRDLUSA-N 448.533 5.514 30 20 IKED C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(CC(F)(F)F)CC1 579293539 JVRJLOCLJXAGAT-UHFFFAOYSA-N 447.274 5.202 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc([C@H](CC)c2ccccc2)o1 589891566 QAHLIPARPHAUFK-QFBILLFUSA-N 427.595 5.368 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)cc2Cl)cc1 604193285 BGDDHNBGPODWQE-UHFFFAOYSA-N 449.919 5.691 30 20 IKED COc1ccc2c(c1)CCC[C@@H]2NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 604500536 RPVAVVKCSRZDBV-DEOSSOPVSA-N 440.503 5.018 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(NC(=O)c2cnoc2C)cc1 606834994 XVAUFBTUGVRJQZ-UHFFFAOYSA-N 445.397 5.071 30 20 IKED Cn1c(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc2cc(C(F)(F)F)ccc21 608116889 UJFKYJJXRIDJRS-TXEJJXNPSA-N 446.313 5.400 30 20 IKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 609096613 LBRLIMNPAAZMBY-DEOSSOPVSA-N 439.519 5.118 30 20 IKED N#CCn1c(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc2ccccc21 609165998 MBFVFHOCXIGUFI-UHFFFAOYSA-N 434.927 5.133 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl 609386983 BZJVIWXPPUEPMJ-ZDUSSCGKSA-N 425.406 6.260 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 609398735 MVSXXNOHBCACHO-ROUUACIJSA-N 428.627 5.034 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(-c2nc(CC(=O)Nc3ccccc3)no2)c1 609721107 UBNAAMNSHUQDOK-UHFFFAOYSA-N 430.851 5.235 30 20 IKED C[C@H]1CN(c2ccccc2NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@@H](C)O1 609987696 SJYNQXIOQMSRHZ-KDURUIRLSA-N 426.520 5.168 30 20 IKED N#Cc1ccc(CN2CCC(NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)CC2)cc1 611438539 NXZDSNCEUGGTHJ-IRXDYDNUSA-N 433.440 5.022 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1c(C)nn(Cc2ccccc2)c1C 612218243 CYZIPYQQGUCQOJ-UHFFFAOYSA-N 428.989 5.161 30 20 IKED COc1ccc2c(c1)CC[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C2 612302522 NYRQLDLARHMDQB-HSZRJFAPSA-N 441.531 5.019 30 20 IKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccc(F)c(F)c1 616004506 SDNAJSROQXCSTE-UHFFFAOYSA-N 429.263 5.099 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)nnc1-c1ccco1 623291613 PFEBOXMEAUXHSG-IRXDYDNUSA-N 432.549 5.235 30 20 IKED N#C[C@@H](C(=O)c1ccc(Cl)c2ncccc12)c1nc2cc(C(F)(F)F)ccc2s1 670115936 MXCYFBQDFCNTFG-ZDUSSCGKSA-N 431.826 6.007 30 20 IKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(Cl)s2)cc1 726571400 GRLMKTYPBBRFFE-UHFFFAOYSA-O 447.392 5.846 30 20 IKED CC(C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccccc1N/C=C/C(=O)C(F)(F)F 728981736 ZBSUPAMCXGOGTO-RDRICISKSA-N 448.441 5.051 30 20 IKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(C2CCC2)C1=O)Nc1ccc(F)cc1F 730460864 HOYBLNBAPVZNMK-GOSISDBHSA-N 449.910 5.131 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 731288416 UTRHPTPQYLIXGX-ACRUOGEOSA-N 436.483 5.606 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)C1CCCCC1 731405791 HXWVXPVZYPFBLW-JPYJTQIMSA-N 435.593 5.457 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)ccc1OC 733648191 SBUUZDNNLVDMEJ-DENIHFKCSA-N 427.520 5.102 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c1 735114364 HMFMQADQHILMKF-VWLOTQADSA-N 446.934 5.590 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)c3cnc4ccccc4c3C(F)(F)F)c2)s1 739591455 WTJYFRSITZZXIW-UHFFFAOYSA-N 437.446 5.784 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1C 739668596 FNBLVFARGREWJP-UHFFFAOYSA-N 433.471 5.421 30 20 IKED Cn1cc(-c2cccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c2)cn1 741537374 UEFMZBUHCHEIGS-QHCPKHFHSA-N 426.907 5.648 30 20 IKED CC(=NNc1nc(-c2ccccn2)nc2c1CCC2)c1csc(-c2csc(C)n2)c1 741813862 YSMJEPNFZQEGIU-UHFFFAOYSA-N 432.578 5.357 30 20 IKED C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 743093706 XNZTTYCLLKUJGL-XLGIIRLISA-N 430.596 5.460 30 20 IKED COCCc1nnc(S)n1N=Cc1c(Cl)cccc1Oc1c(C)ccc(C)c1C 743447439 QXJRPIBFDFGLJQ-UHFFFAOYSA-N 430.961 5.009 30 20 IKED C[C@@H](Nc1ccc(OCc2ccccn2)c(Cl)c1)C(=O)N(CCC#N)c1ccccc1 743472767 JIYXRPPGEOTOOL-GOSISDBHSA-N 434.927 5.061 30 20 IKED CSc1ccc2c(c1)CC/C(=C\c1csc(N(C(C)=O)c3ccc(F)cc3)n1)C2=O 748149141 ZNGJYJANCGUIPB-LFIBNONCSA-N 438.549 5.901 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc3cc(O)ccc3c2)cs1 749005195 XSHHXAZLTMVCGH-XFFZJAGNSA-N 448.931 6.236 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 754903921 XKZUKYKYCCECRY-QFIPXVFZSA-N 434.879 5.147 30 20 IKED N#Cc1ccccc1/C=C1\CC(C#N)(c2ccccc2)C/C(=C\c2ccccc2C#N)C1=O 755580263 ZGSRKZDXLFBAAG-LVSXPEEVSA-N 425.491 5.721 30 20 IKED C#CC[C@@H](NCc1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1)c1ccccc1 756997840 OFOZEBKDJKBLON-JOCHJYFZSA-N 448.950 5.220 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccsc3)N(C3CC(F)(F)C3)C2=O)c1 757922243 XFWXPQJJZDSAFU-QGZVFWFLSA-N 449.548 5.123 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1cn(CCCC#N)c2ccccc12 768106636 VPYALRWFUFLENN-UHFFFAOYSA-N 432.524 5.853 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCCc1cccc(C(F)(F)F)c1 770838096 GFYKODVFWGWUTP-FQEVSTJZSA-N 430.470 5.500 30 20 IKED C[C@H](CSCc1ccccc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 772970720 GXIHIQFMCBARKX-RDTXWAMCSA-N 434.533 5.218 30 20 IKED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cc(Br)cc(Br)c1O 787028793 WJWQXSRYVBBFPZ-BTDLBPIBSA-N 436.147 5.127 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)c1 790642785 AGBAPYZHVGAONW-GOSISDBHSA-N 436.943 5.260 30 20 IKED C=C(Cl)COc1ccc([C@@H](C)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)cc1 793562506 VKLBHUBSMJMOQU-CQSZACIVSA-N 447.906 5.091 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)s1 797573675 UWTIXHAHPHHPCC-VQTJNVASSA-N 430.529 5.385 30 20 IKED Cc1nn(C(C)C)cc1/C=C1\CC2(CCOCC2)C/C(=C\c2cn(C(C)C)nc2C)C1=O 798370875 ZWHBXVAUMILCKB-XHQRYOPUSA-N 436.600 5.485 30 20 IKED Cc1ccc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c(-c2cnn(C)c2)c1 802706032 ACGQDZIZKHRUTQ-UHFFFAOYSA-N 439.544 5.025 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3ccc(-c4cccc5cccnc45)cc3)o2)cc1 803896208 HNEPEAQMFZNYJL-UHFFFAOYSA-N 432.439 5.180 30 20 IKED CC1(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)CCN(c2ccc(Cl)cc2C#N)CC1 813215222 URZJYNJKQVRHAM-KRWDZBQOSA-N 446.860 5.108 30 20 IKED C[C@@H](NC(=O)[C@H](C#N)C(=O)Cc1c[nH]c2cccc(Cl)c12)c1ccc(Cl)cc1Cl 816038689 DLCRNPONFPIZEW-IAQYHMDHSA-N 448.737 5.257 30 20 IKED CCCCCCn1nc(C(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)c2ccccc2c1=O 914509556 PRHXABDACFTLIS-LJQANCHMSA-N 430.552 5.072 30 20 IKED CC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1OC(F)F 915352809 KDJHLUXPNRXXRK-VXKWHMMOSA-N 435.474 6.216 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=Nn1c(S)nnc1-c1cccs1 916314031 KVFUVTXXZBOPRN-UHFFFAOYSA-N 449.392 5.038 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnn(-c3cccc(Cl)c3)c2C)cc1 916951151 XIKUWEGBQFMQIM-BTYIYWSLSA-N 434.927 5.309 30 20 IKED C=CCn1c(Cc2ccccc2)nn(CN(C)Cc2cccc(C(F)(F)F)c2)c1=S 917478297 XYHSRCAAWBMYMU-UHFFFAOYSA-N 432.515 5.299 30 20 IKED COc1ccc2c(c1)CCC[C@H]2CC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 920108944 ZNFHNLFFZJXDPA-MGPUTAFESA-N 444.503 5.167 30 20 IKED Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920140314 BLJYWTHPVQSKBY-UTKZUKDTSA-N 429.545 5.757 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(Cc3ccc(F)cc3)n2)cc1 920875341 VZQSMCNYHNZXPN-JOCHJYFZSA-N 449.551 5.106 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCCc3ccncc3)CCC2)cc1 1789452851 BEMNENSXLZHWHI-XMMPIXPASA-N 431.580 5.307 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(Cl)cc4c3)cc2)CCC1 1790870170 BKIYLIJZCQBRDO-UHFFFAOYSA-N 431.923 5.049 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)COc3ccccc3C#N)cc2)CCC1 1792239907 FMFPVOHYAWIBEZ-UHFFFAOYSA-N 445.563 5.064 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(C)cc2)[C@@H]1c1cccnc1 1810502294 GWXVFCFZMKSOHP-GVXSCFBNSA-N 447.623 5.192 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccsc3[nH]2)[nH]n1 1814443959 LHVNEOUDBRIROL-SFHVURJKSA-N 439.585 5.251 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cccs2)n[nH]1 1817496900 JFLKHKIEHMBQIW-VYENPZKTSA-N 426.586 5.169 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@H]1CCc2nc(NC(=O)c3oc4ccccc4c3C)sc2C1 1818212943 UQQCEVWNHPIIJP-DLBZAZTESA-N 449.576 5.192 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)cc(OC)c2)n[nH]1 1821018610 XWQNIWNEUAXLAD-OAQYLSRUSA-N 438.572 5.025 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncccc2-c2ccccc2)CC1 1827876000 RNBXDUMMLUUQON-SQJMNOBHSA-N 445.607 5.194 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(F)c2F)CC1 1830776266 NBQRDBZBQJWBFL-NZQKXSOJSA-N 444.566 5.275 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1831371650 XZVPILYSWJTVAP-GAJHUEQPSA-N 442.003 5.267 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1831372689 HBBRNBGTCOWVHA-HTAPYJJXSA-N 442.003 5.267 30 20 IKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)s1 1832633436 CKGHQGAPOPKXHE-FDDCHVKYSA-N 449.620 5.231 30 20 IKED C=CCn1c(SCC(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccc(Cl)cc1 21129617 CZZJABQQXMVZKK-UHFFFAOYSA-N 441.000 5.947 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1C1CC1 21667916 AEEYCJQRZMZSSQ-SNVBAGLBSA-N 430.883 5.133 30 20 IKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(COC(=O)c2cccc(C#N)c2)cs1 23633481 PNYLJRMRUWTMJC-UHFFFAOYSA-N 446.315 5.363 30 20 IKED COc1ccc(CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 46861665 SFRZSAMYFQDJHH-NRFANRHFSA-N 434.923 5.584 30 20 IKED COc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)cc1OCCCC#N 64613147 SGIKIVZUWIHIRK-SANMLTNESA-N 441.531 5.453 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ccccc2F)n1)c1nc2cc(C(F)(F)F)ccc2s1 64682491 GJGIOTHJKVAQFI-LBPRGKRZSA-N 447.438 6.068 30 20 IKED C[C@@H](Sc1cc(C#N)ccn1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 71918350 FCPUTEXOVNXZFQ-AUUYWEPGSA-N 436.924 5.058 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(CCN2CCSCC2)cc1 109500662 YENGCIMZDRQDKC-UHFFFAOYSA-N 427.573 5.069 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(N)c3c(C)c(C)sc3n2)nnc1-c1ccoc1C 110964429 VXYARMYRAQGGMH-ZDUSSCGKSA-N 426.571 5.090 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 303247599 AZTZCQNTGLEBER-NSHDSACASA-N 434.011 6.338 30 20 IKED Cc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 303327041 IVEBAOYEDHTKDW-UHFFFAOYSA-N 428.492 5.070 30 20 IKED CCOc1cc2c(cc1NC(=O)c1cccc(COc3cccc(C#N)c3)c1)O[C@H](C)C2 303590845 HOHYYBZLKPLZOX-QGZVFWFLSA-N 428.488 5.112 30 20 IKED CN(Cc1nc2ccccc2s1)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 303640334 HSCFHWKYRGFPPI-UHFFFAOYSA-N 433.920 5.886 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 410284528 WFAPMIACJRFGJZ-OAQYLSRUSA-N 442.588 5.262 30 20 IKED Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)sc2ccc(C#N)cc12 428008834 RHIXPWHJSOXIGA-UHFFFAOYSA-N 447.541 5.135 30 20 IKED COc1ccc(Br)cc1-c1nc(CN(C#N)c2ccc(F)c(C#N)c2)cs1 428321136 XVMIYJIAVSXJKR-UHFFFAOYSA-N 443.301 5.080 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2c(-c3ccncc3)nc3ccccn23)c1 430656847 UBRJRNXNUAHDBC-UHFFFAOYSA-N 445.482 5.099 30 20 IKED Cc1cc(OCc2ccccc2)ccc1NC(=O)CCCC(=O)Nc1ccccc1C#N 432337153 QKOHDQAVBFLWRS-UHFFFAOYSA-N 427.504 5.193 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(c2noc(C(C)C)n2)CC1 432769424 OJRATAWAZBWWRF-UHFFFAOYSA-N 445.523 5.577 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1nccn1CCc1ccccc1 434562904 AVCCISQZAVVXQN-UHFFFAOYSA-N 438.556 5.079 30 20 IKED C[C@@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)N(C)Cc2cccc(C#N)c2)cc1 438788107 AXZQCKZVCMZMIC-GOSISDBHSA-N 429.545 5.009 30 20 IKED CCOc1ccc(NC(=O)c2ccc(NC(=O)N[C@@H](CCC#N)c3ccccc3)cc2)cc1 439306672 NJUBJGRKTPLFGU-DEOSSOPVSA-N 442.519 5.504 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)N[C@H](CCC#N)c2ccccc2)cc1 439330994 ZDNXTNRHSFADRU-HSZRJFAPSA-N 446.938 5.783 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cc(F)ccc1Nc1ccc(F)cc1F 441444871 FCWGWPHMETXSHR-UHFFFAOYSA-N 440.425 5.008 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1ccc(OC)c(Cl)c1)c1ccc(C(F)(F)F)cc1 442069633 WOFWUIWLVLWAKL-KRWDZBQOSA-N 440.849 5.130 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnc(Cc2ccccc2)s1 445824533 NBZZIGMUMNFKBB-UHFFFAOYSA-N 426.501 5.354 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccccc2CCC(F)(F)F)CC1 465241469 IHMCTVKQGIGYDR-UHFFFAOYSA-N 431.458 5.565 30 20 IKED COc1ccc(CNCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)cc1OCCCC#N 466469438 SWIJAEZOEWSYPR-NRFANRHFSA-N 447.604 5.397 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)N(C)Cc1cccc(C#N)c1 467282146 NOALGFKGKDVVRM-UHFFFAOYSA-N 432.911 5.436 30 20 IKED CC[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1nc(C(F)(F)F)cs1 467705293 PVZDDAIHWQVAGY-NWDGAFQWSA-N 428.505 5.829 30 20 IKED N#CCCCn1cc(C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)c2ccccc21 469694668 RGZGUVCHUTZBOC-UHFFFAOYSA-N 437.996 5.995 30 20 IKED CCC[C@H](CCc1ccccc1)NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470537584 JFIVMMHTJMTIJK-JOCHJYFZSA-N 432.568 5.193 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCOC[C@@H]1c1noc(-c2ccccc2)n1 475556344 PQXVGTKKVZLXGS-OAQYLSRUSA-N 432.524 5.194 30 20 IKED CCN1CC[C@@H](N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)[C@H](C)C1 476807738 OZSOJNGFANJFBC-IIBYNOLFSA-N 426.948 5.198 30 20 IKED C=C(C)[C@H](NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)c1ccc(F)c(F)c1 477747588 XIYYBSKNOJXGDE-GUYCJALGSA-N 445.457 5.647 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 479183517 GVMDNAZYXSAXAT-UHFFFAOYSA-N 442.563 5.319 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cccc2c1CN(c1ccccn1)C2 480865416 OKJIOEPZJJSOSU-UHFFFAOYSA-N 432.483 5.518 30 20 IKED Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 480971637 OETUGEOWWQYMKD-AWEZNQCLSA-N 438.484 5.405 30 20 IKED CCS[C@H]1CCCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C1 481313870 HVOSQXOPFZGFRU-FQEVSTJZSA-N 425.554 5.499 30 20 IKED C=CCN(CC1CCCCC1)C(=O)c1ccccc1CSc1nc2nc(C)cc(C)n2n1 482778025 RBIKOSNXYOTGGU-UHFFFAOYSA-N 449.624 5.242 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nc(C(F)(F)F)ccc2C#N)c1 488783800 OJPGSZRZJVXHBC-HNNXBMFYSA-N 432.471 5.016 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2C)nnc1-c1ccccc1C 488892012 FYFFMUOIYIYOCA-MRXNPFEDSA-N 426.973 5.521 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)c3nc(Cc4ccc(F)cc4)no3)o2)cc1 489800098 GQJSFROGKDYOMB-CQSZACIVSA-N 438.484 5.268 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 489837431 DLWDFSOJNAOOFM-OZXSUGGESA-N 441.531 5.345 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCn2c(cc3cc(Cl)ccc32)C1 494061508 XIBAUXUCDOXQAN-INIZCTEOSA-N 438.984 5.001 30 20 IKED N#C[C@H](C(=O)c1ccc2c(c1)CCCC2=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 496092211 GVHWTMKENASIDK-QGZVFWFLSA-N 441.339 6.126 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](CC)c1nc(C(F)(F)F)cs1 498722744 ZIGVQTRZFQJZMA-OAHLLOKOSA-N 429.512 5.178 30 20 IKED Cc1nc(SCC(=O)Nc2ccc(F)cc2OCCC(F)(F)F)c(C#N)c(C)c1C 500171971 ZFMIUIIBHRGMFA-UHFFFAOYSA-N 441.450 5.080 30 20 IKED C=CCn1c(SCC(=O)N2CCCC[C@H]2CC)nnc1-c1ccc(Cl)cc1Cl 502580770 JFFDDAQIWSCLHY-OAHLLOKOSA-N 439.412 5.321 30 20 IKED COc1cc(C)ccc1Oc1ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1F 504091860 FHAVAUNIPFSPGW-DEOSSOPVSA-N 442.487 5.135 30 20 IKED N#C[C@H](C(=O)c1cccc2nc(O)oc12)c1nc(-c2ccc(Cl)cc2Cl)cs1 504545165 HSWCIZRTAJKGPM-GFCCVEGCSA-N 430.272 5.454 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(Cc4cccc(F)c4)n3)n2)cc1 505717214 RCEHOYLWPUOEOZ-SFHVURJKSA-N 444.516 5.358 30 20 IKED Cc1nc(COc2ccccc2C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cs1 505922665 KDVVDZALAMZCMZ-SFHVURJKSA-N 431.439 5.044 30 20 IKED CC1(C#N)CCN(C(=O)Nc2ccc(COc3ccc(Br)cc3)cc2)CC1 506277642 RLKQEFFIOQKHTN-UHFFFAOYSA-N 428.330 5.186 30 20 IKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)N1CCC(C)(C#N)CC1 506921390 IXHOHXLOJAHPAW-UHFFFAOYSA-N 444.457 5.424 30 20 IKED C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@]2(C1)OCc1ccccc12 508512660 ZELKFTXLQVZAGR-QHCPKHFHSA-N 438.984 5.046 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 510858020 SXJYJRRMMMAPTH-DEOSSOPVSA-N 431.467 5.404 30 20 IKED CC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1C(C)C 512266526 MEBGROKQSONPCO-UHFFFAOYSA-N 429.520 5.547 30 20 IKED CCN(Cc1cccc(-c2ccncc2)c1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 513321583 WCUBBFNSNMBRMQ-UHFFFAOYSA-N 442.538 5.024 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 513535565 XZKDABOAFUYJMH-XMMPIXPASA-N 432.907 5.004 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)nnc1-c1cccnc1 514960315 DFPKIMQNZZHXQR-QZTJIDSGSA-N 443.576 5.037 30 20 IKED Cc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c(C)c1 516296889 SGPVBFIZYVDGAR-IBGZPJMESA-N 427.504 5.126 30 20 IKED Cc1ccc([C@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)N2CCCC2)o1 517529576 HGAWIBZYJNBNLJ-QHCPKHFHSA-N 430.508 5.211 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(CN4CCSCC4)cc3)cc2)c1 518728618 MRSXKVUXFZPFBJ-UHFFFAOYSA-N 429.545 5.152 30 20 IKED Cc1cc(=O)cc(C)n1CCCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 520558458 GKODNCZJBBLYGS-UHFFFAOYSA-N 435.911 5.201 30 20 IKED N#Cc1cc(NC(=O)N(Cc2ccc(O)cc2)Cc2ccco2)ccc1OCC(F)(F)F 520586147 JWHLKJCRNSGMBJ-UHFFFAOYSA-N 445.397 5.032 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2cccc(Br)c2)c1 520825016 QGGKRDSCEKZWAH-CQSZACIVSA-N 441.354 5.139 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCCc1ccc(F)c(Br)c1 520855067 BONYTHRSMIMFKJ-CYBMUJFWSA-N 436.350 5.204 30 20 IKED Cc1cc(OCc2ccccc2)ccc1NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 522693667 DLGCLMBCLBXMQI-UHFFFAOYSA-N 446.450 5.265 30 20 IKED C=CCn1c(Sc2ccc3nccnc3n2)nc2sc(-c3ccccc3)c(C)c2c1=O 523647636 MBPUAJOBTCAARD-UHFFFAOYSA-N 443.557 5.109 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)Nc3cc(C#N)ccc3OC(F)F)ccc21 523713908 VCTHPGKHFGOXIF-UHFFFAOYSA-N 438.356 5.361 30 20 IKED COCCNc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 524559272 FSVSKPPWKLEOKJ-UHFFFAOYSA-N 430.508 5.039 30 20 IKED Cc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C)n1-c1nccs1 524706639 BMTZSUANMBUIMO-OAQYLSRUSA-N 446.963 6.112 30 20 IKED C=CCn1c(SCC(=O)N(C)c2ccc3ccccc3n2)nnc1-c1ccc(Cl)cc1 525660507 CYQWUOXXUCWNOY-UHFFFAOYSA-N 449.967 5.088 30 20 IKED COC(=O)CCC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 531480028 ZDNSSNRCACXXGO-NRFANRHFSA-N 439.943 5.193 30 20 IKED N#CCc1ccc(C(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)cc1 534619765 WUVLMJLXJCHHJH-UHFFFAOYSA-N 443.890 5.892 30 20 IKED C=CCN(C(=O)c1cccc(C)c1Cl)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 535091922 LZSYRDJVHXBXCK-UHFFFAOYSA-N 446.981 5.008 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(CC(C)C)c3C(F)F)n2)cc1 536205186 QFRCCTUSNXYHFW-OAHLLOKOSA-N 430.480 5.099 30 20 IKED COc1ccc2cc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c(C)nc2c1 538768914 CFOQHSIAUCYKSO-INIZCTEOSA-N 435.455 5.444 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 541041723 GYQAOEWZSQYFCM-KXBFYZLASA-N 449.498 5.563 30 20 IKED CC(C)Cn1ncc(NC(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)c1C(F)F 541457325 ZAHXXZKQPZWTMB-CQSZACIVSA-N 426.336 5.180 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)n1 542035270 ZWCASHBVMYORCD-OAHLLOKOSA-N 426.307 5.072 30 20 IKED CC(C)Oc1cccc(-c2noc(C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n2)c1 546369316 MZKMPJWINCAOKC-UHFFFAOYSA-N 445.479 5.027 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCOc3ccc(F)cc32)cc1 547753226 TVWBOBXQHOAUJM-HSZRJFAPSA-N 431.467 5.116 30 20 IKED CCCCn1c(SCc2ccc(Br)cc2C#N)nnc1[C@H](CC)N(C)C 553378252 MRXAFHKGMWCOSR-KRWDZBQOSA-N 436.423 5.017 30 20 IKED Cc1ccc(OCc2nc(Cn3cc(C#N)c(=O)c4cc(C)cc(Cl)c43)cs2)cc1 558754670 GCNZECWAZFJNKK-UHFFFAOYSA-N 435.936 5.227 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)cc1 564198915 FMZVPNYPRBESKU-NRFANRHFSA-N 446.482 5.508 30 20 IKED O=C(Nc1cccnc1C(F)(F)F)N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F 565445935 SKPPFQXMOHAKTN-NSHDSACASA-N 447.257 5.424 30 20 IKED C=CCC[C@H](NCc1ccc(S(=O)(=O)C(C)C)cc1)c1ccc(C(F)(F)F)cc1 572351481 ZYKLKJIBBKRCAJ-NRFANRHFSA-N 425.516 5.685 30 20 IKED CCCOc1ccc(Br)cc1-c1noc(C[C@H](CC#N)c2ccccc2)n1 582751261 WNEUICLOZNWAQV-INIZCTEOSA-N 426.314 5.528 30 20 IKED CCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C#N)c(Br)c1 589010223 CUGCEJWICFTMSI-UHFFFAOYSA-N 430.689 5.444 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1C[C@H]1c1cc2c(cc1OCC)C[C@H](C)O2 594304182 QAUURWLFEKLDRX-UCLAIMLFSA-N 447.000 5.377 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1cccc(C)c1 598053563 FXYBQSLHUAVITD-SFHVURJKSA-N 449.555 5.006 30 20 IKED Cc1csc(Sc2ccc(C(=O)Nc3sc(C)c(C)c3C#N)cc2[N+](=O)[O-])n1 603445345 KRYBVXVZLZUZCY-UHFFFAOYSA-N 430.536 5.313 30 20 IKED Cc1nc2ccccc2c(C)c1CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 603449214 ABFJZEKETZDAEL-UHFFFAOYSA-N 445.573 5.048 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603572845 HMAYDURPHZRPMM-HUUCEWRRSA-N 440.387 5.865 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 603822166 LAZXKPNCQPGQCH-HOTGVXAUSA-N 435.412 5.389 30 20 IKED CSCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)oc2ccccc12 603836575 IFZVJJYTGJZVEX-MRXNPFEDSA-N 438.961 6.563 30 20 IKED COc1ccccc1Oc1ccc(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1 603974312 MAKHQMMTVFEMDC-UHFFFAOYSA-N 448.422 5.179 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCOc1ccc(Cl)cc1Cl 604100720 LZRVGUOJAWJSRD-UHFFFAOYSA-N 442.302 5.768 30 20 IKED C=CCN(C(=O)Cc1cccc(OC(C)C)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 604456089 VBYPAAIKZKQBMT-UHFFFAOYSA-N 437.521 5.267 30 20 IKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604522832 FBZFJNAMZKZUKC-NVQXNPDNSA-N 441.531 5.982 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(-c4cccnc4)on3)cc2Cl)c1 609062407 PEWLSRWPJMQZPN-UHFFFAOYSA-N 430.851 5.093 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H](c3ccccc3)c3nccs3)c2)cc1 609208512 NPPFWAPMECBGBZ-QFIPXVFZSA-N 426.501 5.718 30 20 IKED C[C@@H](Nc1ccc(C(=O)Nc2ccccc2SCCC#N)cc1[N+](=O)[O-])c1ccccn1 609375469 WGDJPORGAUCIDX-MRXNPFEDSA-N 447.520 5.421 30 20 IKED COc1cccc(SCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 609378449 IYUCHVCGNRKKMI-UHFFFAOYSA-N 426.485 5.451 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1OC(C)C 609401852 BYNKSYKXFIBEEB-DLBZAZTESA-N 427.570 5.617 30 20 IKED COc1cc2cc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)[nH]c2c(OC)c1OC 609429537 JUVFKMKUIQTMQE-UHFFFAOYSA-N 443.459 5.110 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H](c4cc5ccccc5[nH]4)C3)cc2)c1 609434259 LTADGXFUTLIMOD-OAQYLSRUSA-N 436.515 6.243 30 20 IKED COc1cc(C[S@@](=O)Cc2ccccc2OC(C)C)ccc1OCc1cccc(C#N)c1 609742995 JJUBIBOCWUYPPO-JGCGQSQUSA-N 449.572 5.382 30 20 IKED Cc1nc(-c2ccc(S(=O)(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)cc2)co1 609760884 KUJCUIJQXUTDGG-UHFFFAOYSA-N 431.473 5.115 30 20 IKED Cc1cc(F)ccc1N1CCC[C@H](NC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 609772999 RXHNPCCFGYQLJN-APWZRJJASA-N 426.561 5.176 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609781004 JKUJZPKTMGDFTD-UHFFFAOYSA-N 428.448 5.479 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1C 610053590 MIJOVKBBPPZZMH-UHFFFAOYSA-N 447.498 5.064 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(OCc2ccccc2F)CC1 611266229 PIHBEJXKFMVTRT-UHFFFAOYSA-N 446.547 5.670 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc([N+](=O)[O-])c1C 616711547 YKFZPYBUARKRSU-GFCCVEGCSA-N 435.383 5.030 30 20 IKED N#CCCCn1cc(C(=O)NCc2cccc(COCc3ccco3)c2)c2ccccc21 618180550 WKQANXHCDBOOBN-UHFFFAOYSA-N 427.504 5.185 30 20 IKED O=C(c1ccccc1OCc1ccc(F)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618295503 RWWOVWZDRRQVLN-GJZGRUSLSA-N 449.366 5.608 30 20 IKED N#Cc1ccc(CNC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1Cl 619766908 KURLCWPAMOPAAX-UHFFFAOYSA-N 443.890 5.069 30 20 IKED C=CCn1c(SCc2nc(-c3ccccn3)no2)nnc1-c1ccc(C(C)(C)C)cc1 641975360 BVZMJNCIEXAAEZ-UHFFFAOYSA-N 432.553 5.166 30 20 IKED O=C(Nc1ccc(OC2CCC2)c(F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 674025247 PEBPEWPVVVVVCX-QWRGUYRKSA-N 442.375 5.788 30 20 IKED CC(C)(C)C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(F)cc1 674615006 NKWYXQUMAQJVGU-ZNMIVQPWSA-N 428.392 5.685 30 20 IKED O=C(c1cnc(Cc2ccccc2F)s1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 681225937 POPYSMOFIFNWAV-RYUDHWBXSA-N 440.384 5.076 30 20 IKED O=C(c1cnc(Cc2ccccc2F)s1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 681225939 POPYSMOFIFNWAV-VXGBXAGGSA-N 440.384 5.076 30 20 IKED CCC(CC)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccccc2)cc1 726571165 FVPNZVOVQVDRRS-UHFFFAOYSA-O 446.596 5.384 30 20 IKED N#C[C@@H](C(=O)CCc1ccccc1OC(F)(F)F)C(=O)Nc1cccc2ccccc12 727628309 UQCWSMFLASQUMI-SFHVURJKSA-N 426.394 5.019 30 20 IKED C[C@H](NC(C)(C)CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 731752625 LATVPIICIRPINP-CPJSRVTESA-N 426.564 5.593 30 20 IKED C#CCN(C(=S)Nc1c(C)cccc1C)[C@@H]1CCOc2ccc(Br)cc21 733085269 BYDWEXHJKUMNAQ-GOSISDBHSA-N 429.383 5.222 30 20 IKED C#CCN(C(=S)Nc1cc(C)ccc1C)[C@@H]1CCOc2ccc(Br)cc21 733086580 LFKYZYABDSLGSU-LJQANCHMSA-N 429.383 5.222 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc(C)c1OCc1cccnc1 733680185 LUTSJLZKNAKUBB-JOCHJYFZSA-N 437.499 5.273 30 20 IKED Cc1nc(SCC(=O)OCc2cc(Cl)ccc2OCC#N)c2c(C)c(C)sc2n1 735333253 WADSOQRNQLBBST-UHFFFAOYSA-N 447.969 5.008 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 739156580 ZGPANULYJGMXTR-IBGZPJMESA-N 448.404 5.005 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)cc1 743447747 SMFGZWVOYOPVIY-HNNXBMFYSA-N 446.315 5.087 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)O[C@H](C)c2nc(O)c3ccccc3n2)cc1 757149771 HGILVFFOCXPIFO-MRXNPFEDSA-N 425.444 5.226 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C2CC(F)(F)C2)cc1C 757876424 YMNHTIKUQNDJAF-LJQANCHMSA-N 443.519 5.061 30 20 IKED Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3cnn(CCC#N)c3-c3ccccc3)o2)cc1C 759080019 PBXILRRRULVSDZ-GOSISDBHSA-N 441.491 5.049 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(Cc2cccc(F)c2)CCC1 775061209 KDMZWKBAXFSCHA-QGZVFWFLSA-N 440.540 5.115 30 20 IKED CN(C(=O)c1ccccc1Oc1ccccc1C#N)C1CCC(NC(=O)OC(C)(C)C)CC1 778026233 LVVBADPRSNASSR-UHFFFAOYSA-N 449.551 5.258 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 780157900 FDHAFXCNDJEMMB-AWEZNQCLSA-N 427.382 5.436 30 20 IKED COC(=O)C1C/C(=C\c2ccc3cnccc3c2)C(=O)/C(=C/c2ccc3cnccc3c2)C1 782355602 UMYNWLQHTSPQOS-DWGHPKEWSA-N 434.495 5.402 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)cc1C#N 784086049 ZWEMJSBMDGNXCI-UHFFFAOYSA-N 444.369 5.053 30 20 IKED CC(C)(C)OC(=O)NC(C)(C)c1cc(C=NOCc2ccc(C(F)(F)F)cc2)on1 793034218 KWYHEJILVFBOGF-UHFFFAOYSA-N 427.423 5.004 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 803129366 DLDUBKXEAPLWRD-JOCHJYFZSA-N 449.526 5.270 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC 915353126 LJKIOHRTAHOQMG-BJKOFHAPSA-N 441.531 5.728 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC 915353134 LJKIOHRTAHOQMG-RPWUZVMVSA-N 441.531 5.728 30 20 IKED CC(C)[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1 915752129 GYOFXUZFWSXSFV-ZEQRLZLVSA-N 445.950 5.447 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1ccc(SC(F)(F)F)cc1 915870710 NQLPBJDATPYJKL-UHFFFAOYSA-N 429.313 5.754 30 20 IKED COc1ccc(/C=C\C(=O)c2ccc(Br)cc2Br)cc1OC 916140099 ANKHKORHOKCLTA-CLTKARDFSA-N 426.104 5.125 30 20 IKED Cc1nc(CSc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)cc2)cs1 916910146 FJDBXPPKMCEMBE-QGZVFWFLSA-N 441.965 5.358 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc2c1O[C@H](C)C2 917043728 NYABFXFQKORGAJ-YGRLFVJLSA-N 432.423 5.137 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C/c2csc([N+](=O)[O-])c2)C(=O)c2ccccc2)c(Cl)c1 917143770 OTEYLFZGILWDRW-LICLKQGHSA-N 440.908 5.832 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cc(Cl)ccc2Cl)cs1 917561299 ABPKMHMVSRRNTD-UITAMQMPSA-N 435.307 6.170 30 20 IKED N#Cc1ccccc1NC(=S)/C(=C(/O)c1cccc(Cl)c1)[n+]1ccc2c(c1)CCCC2 917612922 HZCZGTZKLWFPLW-UHFFFAOYSA-O 446.983 5.701 30 20 IKED C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 917877258 ZMMYMSSVVLBHRQ-UHFFFAOYSA-N 443.890 5.459 30 20 IKED COc1cccc(-c2cc(NC(=O)c3ccccc3OCC#N)n(-c3ccc(C)cc3)n2)c1 920003952 XKUQYBWURPXLJD-UHFFFAOYSA-N 438.487 5.011 30 20 IKED N#C[C@@H](C(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1nc(-c2ccccc2)cs1 920875798 NDZFRYUNCUGTID-IBGZPJMESA-N 433.533 5.415 30 20 IKED COc1ccccc1SCc1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1CCCCC1(F)F 1768987544 IOFWWVYUEVJIQF-IRXDYDNUSA-N 449.571 5.000 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@@H]4c4ccc(F)c(F)c4)CCC3)cc2)C1 1785805101 ZJBLIUSKXXVXKM-RTWAWAEBSA-N 436.502 5.169 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)cc3)CCC2)cc1 1786679501 MWNXMDFUMJEXBW-UHFFFAOYSA-N 448.510 5.372 30 20 IKED CC[C@H](C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)ON=C(C)C)CCC2)cc1)c1ccccc1 1787644003 IINSPBWNERYCKE-XXBNENTESA-N 435.568 5.115 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3c(-c4ccccc4)cn4ccccc34)cc2)CCC1 1790034586 JGPFYPAVESKNCE-UHFFFAOYSA-N 449.554 5.930 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cccc(F)c3s2)n[nH]1 1818596259 AERBXNBJDXSRKX-RDTXWAMCSA-N 440.544 5.282 30 20 IKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)C(C)C)[nH]n1 1821983446 AIIPMPVJJOYXLW-FPOVZHCZSA-N 444.526 5.053 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(C)cc2)n[nH]1 1822053903 GATWXUULWPMZSD-JTHBVZDNSA-N 434.584 5.111 30 20 IKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 1831861801 YFONNVUUAVLBAU-LADGPHEKSA-N 431.020 5.275 30 20 IKED C=CC[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccccc2CSc2ccccc2)C1 1845475129 BRJNIFPPFQWBNX-HXUWFJFHSA-N 434.605 5.008 30 20 IKED COc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccccc2OC)cc1 4184563 BBRMEOCLDGFBQQ-UHFFFAOYSA-N 428.517 5.115 30 20 IKED CN(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cccc(Cl)c2)cc1 10830875 VAJCEROCXLZKNQ-UHFFFAOYSA-O 446.930 5.023 30 20 IKED COc1ccc(OCc2nnc(SCc3ccc(C#N)cc3)n2-c2ccccc2F)cc1 11022126 XPFWQZNWEUVZHX-UHFFFAOYSA-N 446.507 5.158 30 20 IKED N#CCC[C@H](C#N)Cn1c([C@H](Cc2ccccc2)NC(=O)c2ccccc2)nc2ccccc21 14300955 FNTRMRLVVHJDGT-RDGATRHJSA-N 447.542 5.194 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)nnc1-c1ccoc1C 22164969 RXBUEYVCJLBWKH-JOCHJYFZSA-N 444.560 5.813 30 20 IKED N#Cc1ccccc1/C=C/C(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 23360115 JBCGGVTXINJGTG-BWSGXRDBSA-N 446.432 5.372 30 20 IKED C[C@H](Sc1ncnc2cc(-c3ccc(F)cc3)sc12)C(=O)NC1(C#N)CCCCC1 23939598 ZATFAIFUAQKNCX-AWEZNQCLSA-N 440.569 5.321 30 20 IKED C=CCn1c(SCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)nnc1-c1ccc(Cl)cc1 24142249 LUDCYSAQYFEJEA-LPHOPBHVSA-N 431.005 5.058 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1coc(-c2ccc(F)cc2)n1 25767161 LQIAIGOLFBVOMW-UHFFFAOYSA-N 440.475 5.269 30 20 IKED C=CCN(CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1)Cc1cccs1 27220414 USBRJHIORHMRQQ-HXUWFJFHSA-N 447.604 5.208 30 20 IKED C=CCN(C(=O)c1oc2c(C)cccc2c1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 64681462 ZKTJDYDMLIUMIJ-UHFFFAOYSA-N 433.489 5.914 30 20 IKED CCOc1ccc(-c2nc(CC(=O)N(CCC#N)c3ccc(OCC)cc3)cs2)cc1 111018761 HHFVCNYOQXBBAP-UHFFFAOYSA-N 435.549 5.097 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 301260358 FEOQCSORSXPBFT-CQSZACIVSA-N 433.821 5.059 30 20 IKED Cc1cc(C)n(-c2cccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)c2)n1 302938274 HCFRXGYHEYGCOU-UHFFFAOYSA-N 438.556 5.905 30 20 IKED C[C@H]1CN(Cc2ccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)cc2)C[C@H](C)O1 303342569 LVTYHGCYTOJWJV-PMACEKPBSA-N 441.531 5.212 30 20 IKED N#CCSc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)c1 429857125 DQTDWYUXVVPVRC-UHFFFAOYSA-N 428.435 6.366 30 20 IKED N#Cc1ccc(NC(=O)c2cccnc2Oc2ccc(F)cc2Br)c(Cl)c1 430354249 KENMVVBJJXXIEL-UHFFFAOYSA-N 446.663 5.553 30 20 IKED Cc1c(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)sc2ccc(C#N)cc12 433233709 PXANDQRPSBNDDK-UHFFFAOYSA-N 449.539 5.259 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 433674680 YGDPUJMEVSVTCH-UHFFFAOYSA-N 428.279 5.111 30 20 IKED C=CCC[C@H](NC(=O)Nc1cccc(NC(=O)NCC)c1C)c1ccc(C(F)(F)F)cc1 433754892 ZPZGKABBEVWDOS-FQEVSTJZSA-N 448.489 5.984 30 20 IKED Cn1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(-c2ccoc2)n1 434632048 YVXCPUMWIGGWEK-AWEZNQCLSA-N 443.315 5.600 30 20 IKED Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 437925532 JMQZEBGMOIIHOF-UHFFFAOYSA-N 448.910 5.658 30 20 IKED N#CCC[C@H](NC(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1)c1ccccc1 438835319 CDGHDPUBQACUOM-PMACEKPBSA-N 436.314 5.260 30 20 IKED Cc1noc(C2CCC(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)CC2)n1 439841887 MMTDDXPNSRIFQW-UHFFFAOYSA-N 436.899 5.152 30 20 IKED C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 441569708 SIVHJJDZOATUPN-AUUYWEPGSA-N 445.441 5.003 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)Nc1cccc(CCC(F)(F)F)c1 442026364 NEMFHHKHDVLQCW-AWEZNQCLSA-N 435.471 5.153 30 20 IKED C[C@@H](C#N)CSc1ccccc1NCc1cccc(Br)c1OC(F)F 443459266 DTRANOUOGDXZHA-LBPRGKRZSA-N 427.314 5.914 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 444292313 UUJUIVGJIAYATQ-UHFFFAOYSA-N 447.469 5.289 30 20 IKED Cc1ccccc1[C@@H](CC(F)(F)F)NCCC(=O)Nc1sc2c(c1C#N)CCCC2 444783328 SJZFWUYISQEPJG-GOSISDBHSA-N 435.515 5.419 30 20 IKED C=CC[C@@H]1N(C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)CCCC1(C)C 444906447 WTLNTXBGANQKEA-QFIPXVFZSA-N 442.581 5.481 30 20 IKED CC(=O)c1cc(F)c(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c(F)c1F 461078887 CKOOSRARMOLUIC-UHFFFAOYSA-N 428.341 5.362 30 20 IKED COc1ccc(NC(=O)[C@H](C)c2cccc(C#N)c2)cc1OCc1ccc2ccccc2n1 462042114 YJRFIAULQBCZAX-GOSISDBHSA-N 437.499 5.436 30 20 IKED Cc1ccc([C@H]2OCCC[C@@H]2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 463275088 IUDDLNZGGWUCRL-LOSJGSFVSA-N 439.515 5.225 30 20 IKED C=CCC[C@@H](NC(=O)N1CC[C@@](CO)(c2ccccc2)C1)c1ccc(C(F)(F)F)cc1 464373285 INACSUQWVRFRJA-FYYLOGMGSA-N 432.486 5.058 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCOCC3)cc2)ccn1 464665570 DWLLVGOSDODSGA-UHFFFAOYSA-N 433.895 5.086 30 20 IKED C[C@H](Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1)C(=O)NC1(C#N)CCC1 469074870 SPOPHXAGCOKTSH-ZDUSSCGKSA-N 426.929 5.105 30 20 IKED CC(C)c1ccc(NC(=O)C[C@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 469324388 QRPGEADLERIGIY-IBGZPJMESA-N 432.568 5.222 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](CC)c1ccccc1OCC(=O)N(C)C 475584987 ULRCFYLSMFAPBI-JOCHJYFZSA-N 437.584 5.278 30 20 IKED C[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1c(F)cncc1F 476126994 BCVJGSFJBRMLPE-QMMMGPOBSA-N 443.294 5.202 30 20 IKED N#Cc1c(NC(=O)CCNC2(c3cccc(C(F)(F)F)c3)CC2)sc2c1CCCC2 477410509 ALPYEJGHBUPFJZ-UHFFFAOYSA-N 433.499 5.125 30 20 IKED C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 480604011 UDWRJPQMEPGLMK-RDTXWAMCSA-N 435.421 5.471 30 20 IKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 481315879 JSNUQVLFMCJBMW-AWEZNQCLSA-N 428.376 5.478 30 20 IKED COc1cc([C@@H](C)N[C@@H]2CCCCc3cc(C#N)ccc32)ccc1OCc1ccncc1 481914387 KOUGBDCQFNUCHF-KBMIEXCESA-N 427.548 5.659 30 20 IKED N#Cc1ccc(CN[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c(OC(F)F)c1 484574069 OOBOLKXOJORUCV-OAQYLSRUSA-N 436.437 5.180 30 20 IKED C=CCC[C@@H](NC(=O)NCc1cc2ccccc2n(C)c1=O)c1ccc(C(F)(F)F)cc1 489754142 ODKNSCBAEMRYMP-HXUWFJFHSA-N 443.469 5.064 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(F)cc1OCCC(F)(F)F 500235854 ZKPTYBDRUXJAIV-UHFFFAOYSA-N 428.385 5.948 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)Cc2ccc(C#N)cc2)cc1C 505034160 BBTHVQYWHRCHGC-UHFFFAOYSA-N 434.543 5.229 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 505062649 SSMYGYPPSNGYCU-RUZDIDTESA-N 448.588 6.064 30 20 IKED O=C(CN[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)Nc1ccccc1OC(F)F 505844052 DHZGKQQHANQKDQ-HNNXBMFYSA-N 442.306 5.139 30 20 IKED N#C[C@H](C(=O)c1cccc(NC(=O)c2cccs2)c1)c1nc2ccccc2n1C(F)F 509571504 SKTMSTHAOQKAJY-OAHLLOKOSA-N 436.443 5.235 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(Cc3ccccc3)CC2)cc1 511403518 BJEQJQNODYNHPX-UHFFFAOYSA-N 439.559 5.818 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)c2)c1 511474800 JSURZADTXIQFJY-QFBILLFUSA-N 430.430 5.053 30 20 IKED N#Cc1ccccc1COc1cccc(CNc2ccc(C(=O)NCC(F)(F)F)cc2)c1 512394837 KWQRWAPKWIIJGY-UHFFFAOYSA-N 439.437 5.041 30 20 IKED CC(C)CC[C@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccc(Cl)cc1 517466148 VEKBLUDVXLAGRG-IBGZPJMESA-N 444.000 5.578 30 20 IKED Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)CCCCOc1cccc(C#N)c1 518905106 CXYPATJFONOSHC-UHFFFAOYSA-N 433.552 5.117 30 20 IKED Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c2c(C(C)C)noc2n1 519434053 LUEMSWXEOHGTEA-UHFFFAOYSA-N 448.470 5.932 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCc2c(Br)cccc21 520195514 AZDLZJOTYALWOQ-CXAGYDPISA-N 430.371 5.652 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3nc(-c4c(F)cccc4F)cs3)cc2)nc1 520323214 YUXPJNFJHJYQHB-UHFFFAOYSA-N 434.427 5.400 30 20 IKED CCCN(CCC)C(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 521089814 ZZRFFVYOMBMNQC-UHFFFAOYSA-N 442.519 5.260 30 20 IKED COc1cc(CN(C)C(=O)c2cccc(COc3cccc(C#N)c3)c2)ccc1SC 522311794 KZTFOTZAZQNROE-UHFFFAOYSA-N 432.545 5.140 30 20 IKED O=C(Nc1cc(F)ccc1SCC(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 523444698 GIQRVBVEQAJJAY-UHFFFAOYSA-N 440.331 5.532 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccn(CCc3ccncc3)n2)c1 523947249 UYKZRWFXJXOZQJ-UHFFFAOYSA-N 443.894 5.090 30 20 IKED N#Cc1cccc(-c2nnc(CSc3nnc(-c4ccco4)n3C3CCCCC3)o2)c1 525623090 BIUBJRYMPRVYLB-UHFFFAOYSA-N 432.509 5.257 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)cc1C 534947890 DOZXZULFSVWBNP-UHFFFAOYSA-N 438.535 5.097 30 20 IKED C=C(C)[C@@H](CC(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)OCC 535907320 XNEVHOPTJYYHAN-TZIWHRDSSA-N 431.458 5.159 30 20 IKED COc1ccccc1[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccccn1 536338664 OAVFEUOLAGCUFJ-MUUNZHRXSA-N 435.527 5.420 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1cc(F)c(Cl)cc1Cl 539242529 CIUGXWLHWBQMAN-CHWSQXEVSA-N 440.371 5.674 30 20 IKED COc1ccccc1-n1c(SCCCC2(C#N)CCOCC2)nnc1-c1cccs1 539713092 SYFAWXNUJMBRNI-UHFFFAOYSA-N 440.594 5.197 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 540863721 KFCPMOQDBNLELV-HKUYNNGSSA-N 446.580 5.135 30 20 IKED Cc1ncc(C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c(C)n1 541226350 BMBDGXQVPSJGTF-CYBMUJFWSA-N 445.285 5.164 30 20 IKED C=CCC[C@@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(C(F)(F)F)cc1 560908601 LHRZSOBIGMFHLB-HRAATJIYSA-N 440.531 5.314 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCN2c3ccccc3C[C@@H]2C1 571091062 UADCBUWITPKEGO-JOCHJYFZSA-N 438.531 5.328 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)Nc4cc(F)ccc43)cc2Cl)cc1 604027156 KBCNTFCPTARZRD-GOSISDBHSA-N 435.842 5.208 30 20 IKED N#Cc1ccsc1C(=O)Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1 604523616 PZPJMFDDMPLRPL-UHFFFAOYSA-N 443.403 5.198 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3cc(-c4ccc(F)cc4)nc4onc(C)c34)[nH]c12 605363079 GWMVQMRMZOEHCC-KRWDZBQOSA-N 425.423 5.012 30 20 IKED CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1cc2ccccc2n1CC#N 609160129 KWNKJJHGUZNUQV-UHFFFAOYSA-N 445.526 5.290 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2cc3ccccc3nc2O)cc1Cl 609164208 IVEUMJCQPSOATM-OAQYLSRUSA-N 427.891 5.430 30 20 IKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1 609435700 HBFWCJZHJSMHPY-FOIQADDNSA-N 429.973 5.186 30 20 IKED C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 609934929 HXGNUVSKFGAACD-PPNDLDFTSA-N 425.960 5.174 30 20 IKED Cc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1NC(=O)NC(C)(C)C 610130001 PDFMNFYFLOBVIK-GOSISDBHSA-N 433.339 5.217 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)N[C@H](C)C(=O)N(CCC#N)c1ccccc1 610341875 DKEOOFNMNLKMDR-SJLPKXTDSA-N 436.556 5.244 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CC[C@@H]3c3cccc(F)c3)cc2Cl)cc1 610383958 STTBQJRXDMKRSR-OAQYLSRUSA-N 449.869 5.055 30 20 IKED Cc1cccc([C@@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c2ccccn2)c1 611225634 BIZIVVLBBABSIY-RUZDIDTESA-N 435.487 5.360 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC(OCc3ccccc3F)CC2)cc1 611262034 NFUKDKGUYDSGJR-UHFFFAOYSA-N 448.469 5.450 30 20 IKED COc1ccc(C#N)cc1NC(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 612567585 SJCQDBOMGBKXMU-OAHLLOKOSA-N 442.235 5.145 30 20 IKED CN(CCCOc1ccc(F)cc1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612806432 YOEMSMGOWXWKOP-CHWSQXEVSA-N 444.391 5.146 30 20 IKED Cc1ccccc1-c1cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)c2cnn(C(C)C)c2n1 613290739 KUJOFNYUJIPKBS-QFIPXVFZSA-N 445.526 6.026 30 20 IKED N#C[C@H](C(=O)c1cccn1Cc1cccs1)c1nc2cc(C(F)(F)F)ccc2s1 617898136 LBRSMWTUCGVSIW-CQSZACIVSA-N 431.464 5.716 30 20 IKED Fc1ccc(OCc2nc(CN3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)cs2)cc1 618455383 ZJWLYRNWPBNWNB-RYUDHWBXSA-N 442.400 5.424 30 20 IKED N#Cc1cnc2c(Br)cccc2c1N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 619651300 RXGWXACGGKPRDX-PHIMTYICSA-N 438.169 5.046 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1csc(-c2ccccc2F)n1 620168420 AEJNUMZVFYFVHR-URLYPYJESA-N 440.384 5.589 30 20 IKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N(CCC#N)CCC(C)C)cc3)ccc12 728871108 IGZBQOFYMCNPAH-UHFFFAOYSA-N 432.520 5.082 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCCC2 729314545 OMVSERYIMIEOFV-UHFFFAOYSA-N 429.545 5.023 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@H](Sc2ccccc2F)c2ccccc2)n1 730071757 CGWUGHHQZIQFLH-MGPUTAFESA-N 440.521 5.169 30 20 IKED N#C[C@H](C(=O)[C@H](Sc1ccccc1F)c1ccccc1)c1nc2cc(F)ccc2s1 730420210 BHTLJXNVAJOTOL-OPAMFIHVSA-N 436.508 6.284 30 20 IKED CCCCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 731399952 JQDKQBGCJNYLEG-OAQYLSRUSA-N 448.567 5.291 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC[C@H](O)c3ccc(Cl)cc3Cl)cc2)cc1 732299326 MPKRIJZRFSFJJR-QFIPXVFZSA-N 441.314 5.315 30 20 IKED C#CCN(C(=S)Nc1ccc(CC)cc1)[C@@H]1CCOc2ccc(Br)cc21 733087507 SRWLARHQIKCSGM-LJQANCHMSA-N 429.383 5.167 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3c(C)oc(-n4cccc4)c3C#N)s2)cc1 733772444 ONFSPWSKQJNZHY-AWEZNQCLSA-N 446.532 5.182 30 20 IKED CC(=O)N(c1nc(/C=C2/CCc3nc(-c4ccccc4F)sc3C2=O)cs1)C1CC1 734304733 USWZEIYEHRYMGW-RAXLEYEMSA-N 439.537 5.134 30 20 IKED N#C[C@H](C(=O)C[C@@H]1OCCc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 734706540 LYVNXLIJKCIVND-UTKZUKDTSA-N 443.355 5.997 30 20 IKED Cn1c(CC(=NOCc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2)nc2ccccc21 734834477 RENUCIOLDLJPPG-UHFFFAOYSA-N 434.883 5.299 30 20 IKED CCOc1ccccc1Nc1nnc(SCc2cc(Cl)ccc2OCC#N)s1 735231371 UCKKHSIPUYYZLH-UHFFFAOYSA-N 432.958 5.528 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(SCC(F)F)cc2)cc(Br)c1O 741843345 PGBWTBBIVBJECP-FARCUNLSSA-N 429.282 5.417 30 20 IKED CC(C)c1ccccc1N=C1SCCCN1C(=O)C1CCN(C(=O)c2ccccc2)CC1 741882882 JEVWCLBJHOAANH-UHFFFAOYSA-N 449.620 5.315 30 20 IKED Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 742959927 CFNFFIZZGIYGHZ-UHFFFAOYSA-N 431.398 5.845 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F 744027830 AURVCSKYACTKJK-OTWHNJEPSA-N 432.426 5.208 30 20 IKED Cc1c(Br)cccc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 744028617 MEJNARUOIQVRLK-GOSISDBHSA-N 449.304 5.511 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1cnc2ccccc2c1C(F)(F)F 744573674 LYBMRKSCXISCBP-AWEZNQCLSA-N 448.466 5.075 30 20 IKED C=CC[C@@H](NC(=O)N[C@H](c1cccc(SC)c1)c1ccc(F)c(F)c1)c1ccncc1 745825024 BNMCGLVCDXTTRK-DHIUTWEWSA-N 439.531 5.788 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 745947611 GURHEUNZGGSNBF-SFHVURJKSA-N 425.271 5.747 30 20 IKED N#Cc1ccccc1N1CCC(NC(=O)c2ccccc2OCc2ccccc2Cl)CC1 747337014 LLLOFTFLMMVVFJ-UHFFFAOYSA-N 445.950 5.189 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 747638214 WYZROUIUSBDBBT-OAQYLSRUSA-N 440.484 5.626 30 20 IKED O=C1/C(=C/c2cnc(-c3ccncc3)s2)CCC/C1=C\c1cnc(-c2ccncc2)s1 753136738 YMAMAKLDICAXPE-KLCVKJMQSA-N 442.569 5.944 30 20 IKED C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cnc(-c4ccncc4)s3)c12 753141028 FCHSERQCRQWPHY-HJWRWDBZSA-N 425.517 5.198 30 20 IKED C[C@@H](C#N)CN(C(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1)C1CC1 754189368 YZPXFCGZQJYSFQ-LBPRGKRZSA-N 434.721 5.054 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)C1 758607968 VTUKVTBFIZKNOT-SQNIBIBYSA-N 446.617 5.095 30 20 IKED CC(C)(C)OC(=O)N(CC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1 761095199 YACHNPUKHBVKNR-MRXNPFEDSA-N 440.450 5.049 30 20 IKED CCc1nc2c(s1)[C@@H](N(C)C(=O)NCc1cccc(-c3ccc(C#N)s3)c1)CCC2 764361287 UBYVKNDWQSXABX-IBGZPJMESA-N 436.606 5.525 30 20 IKED CC(C)(C)c1noc(CCCC(=O)OCc2c(F)c(F)c(C(F)(F)F)c(F)c2F)n1 764901174 XEIGMQMVNYHADT-UHFFFAOYSA-N 442.331 5.008 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(Cc2ccccc2)[C@H](C)C(C)(C)C)ccc1OC 769507618 DJEPTLIFLZOQLA-KNQAVFIVSA-N 437.584 5.523 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)n1 770140237 BWRZMSYUQUTNRM-UXLLHSPISA-N 426.542 5.147 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 780175302 DXCRSZJDTPTRSE-ZDUSSCGKSA-N 431.439 5.301 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CC[C@@H](c4cccc(C(F)(F)F)c4)C3)cc2)nc1 784528711 PFMQAGUTTPVAQE-LJQANCHMSA-N 437.421 5.394 30 20 IKED C=CCOc1ccc(CN(C(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)C(C)(C)C)cc1 786644037 MFEHNYMPPVJSDG-VWLOTQADSA-N 432.564 5.343 30 20 IKED Cc1ccccc1-n1c(C)cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1C 787514443 CMBQNJBVEPCZAX-UHFFFAOYSA-N 440.547 5.238 30 20 IKED COc1cccc([C@@H](C)CCCC(=O)[C@H](C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)c1 789402000 AYIVBVXANCPJGA-KXBFYZLASA-N 442.943 5.287 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl 790144458 GFLMABBESRGIDU-UHFFFAOYSA-N 449.334 5.145 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)/C=C\c3cnc(-c4ccccc4OC)nc3)s2)cc1 792885044 SNVDBUDXFOFLJS-JYRVWZFOSA-N 443.528 5.489 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc4ccccc4c3)n2)cc1 796661709 MHRJSBUXXMVGKW-AOMKIAJQSA-N 428.513 5.616 30 20 IKED CC(C)(C(=O)[C@@H](C#N)c1ccc2ccccc2n1)c1csc(-c2c(F)cccc2F)n1 796715978 UYYACWSZFLEMFM-HNNXBMFYSA-N 433.483 5.791 30 20 IKED CC(=O)Nc1cccc(N=c2scc(-c3c(C)noc3C)n2CC(C)(C)CCC#N)c1 804887333 YEDTUSCSTWGNSY-UHFFFAOYSA-N 437.569 5.342 30 20 IKED COc1ccc(C(=O)/C=C/c2cc(C(F)(F)F)ccc2Br)cc1NC(C)=O 811689822 MOYDGKBHSSBAFM-XVNBXDOJSA-N 442.231 5.331 30 20 IKED N#C[C@H](C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1cc(C(F)(F)F)ccn1 813211091 DBNOCQBBOGPYJM-OAGGEKHMSA-N 427.451 5.636 30 20 IKED CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813213443 MHQBJHSZGKYIJK-SFHVURJKSA-N 425.410 5.338 30 20 IKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccs2)c1 837382305 CWBCVOCTZLCWGF-HXUWFJFHSA-N 435.574 5.217 30 20 IKED N#Cc1ccc(Br)c(CNc2ccc(C(=O)NCc3ccc(F)cc3)cc2)c1 864005355 RKSLRHWCPQZTOR-UHFFFAOYSA-N 438.300 5.002 30 20 IKED CC(C)n1ncc2cc(C=NNc3nc(C(F)(F)F)nc4ccccc34)c(Cl)nc21 874094001 JFZYQLAKNCOGMM-UHFFFAOYSA-N 433.825 5.074 30 20 IKED CC(C)c1ccc(-c2nc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccccc3)cs2)cc1 900235572 VXIMVZQMVWKIPG-GOSISDBHSA-N 447.560 5.426 30 20 IKED COc1ccc([C@@H](CNC(=S)Nc2ccccc2C#N)c2c[nH]c3ccccc23)cc1 915995953 LERRVPKOABZVOK-OAQYLSRUSA-N 426.545 5.167 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 916073546 AOWIKMCICZFAKS-UHFFFAOYSA-N 444.491 5.023 30 20 IKED Sc1nnc([C@@H]2COc3ccccc3O2)n1N=Cc1c2ccccc2cc2ccccc12 916321423 YXPBOMALUDZJDL-QHCPKHFHSA-N 438.512 5.268 30 20 IKED COc1ccc(-c2csc3ncnc(NN=Cc4c(Cl)nc5sccn45)c23)cc1 916357534 WRGMUUBFESUULG-UHFFFAOYSA-N 440.941 5.176 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccccc2F)o1 916901334 FHWIZIAWFURKEX-CQSZACIVSA-N 426.831 5.017 30 20 IKED N#C[C@@H](C(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1Cl 916909567 MNNHYIANXNIRBZ-ZDUSSCGKSA-N 425.699 5.153 30 20 IKED CN(Cc1cccc(Br)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 918033907 HBWPIRSINGLLGE-JOCHJYFZSA-N 434.337 5.768 30 20 IKED CCOc1c(Cl)cc(/C=C/C(=O)c2cnc3sc(C(=O)OC)c(C)c3c2)cc1OC 918156156 MFEDNCNMPWDSMV-VOTSOKGWSA-N 445.924 5.348 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1 918421356 CRPMWCRMJZDXSH-RPWUZVMVSA-N 443.934 5.298 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCC#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 918678078 XQPCRDWTXPLNFL-MRXNPFEDSA-N 433.508 5.185 30 20 IKED Cc1cc2occ(CC(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2cc1C(C)C 920142801 SRESGUMCDVHWIU-JOCHJYFZSA-N 439.540 6.279 30 20 IKED N#C[C@H](C(=O)CCc1cccc(Br)c1)c1nc(-c2c(F)cccc2F)cs1 920805498 CWHSSFLVNUIIJY-CQSZACIVSA-N 447.304 5.660 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 921240145 XLBYFEZXSHCDPY-JOCHJYFZSA-N 434.499 5.294 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnccc3C(F)(F)F)cc2)CCC1 1787354340 ZVHDQOVXDVKKKC-HNNXBMFYSA-N 431.458 5.060 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnc(C(C)(C)C)cn3)CCC2)cc1 1789454142 REOAIMOSYXRFSX-NRFANRHFSA-N 446.595 5.290 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Nc3ccccc3)CCC2)cc1 1789454373 WRSIFJUIMHUPMJ-HYBUGGRVSA-N 431.580 5.390 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccc(F)cc1)C2 1798592400 OBXQNJMVKKVEHE-KOUNCHBCSA-N 449.570 5.132 30 20 IKED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccccc3C)C2)CC1 1810355038 AUUGUVZPPFFTEI-QFIPXVFZSA-N 445.607 5.114 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2ccccc2C)[C@@H]1c1cccnc1 1810501272 AQFULRQCDWWFRM-AZGAKELHSA-N 447.623 5.021 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)CCCCC)[C@H]1c1cccnc1 1810502326 HBTHUZUYLQTJOF-PMVMPFDFSA-N 427.633 5.296 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](C)Cc2ccccc2)n[nH]1 1822587412 FDZWKBHUZSJIPS-KJXAQDMKSA-N 434.584 5.049 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2scnc2C2CC2)CC1 1823750246 FKBCVVCQUQESMH-HXUWFJFHSA-N 443.657 5.246 30 20 IKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CC3CCCC3)CC2)c(Cl)c1 1830720502 PPFKRMACSBJTFB-HSZRJFAPSA-N 442.003 5.025 30 20 IKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC2CCC(C)(C)CC2)CC1)C(F)(F)F 1831453261 NVLHHFJAUOUSMX-FQEVSTJZSA-N 442.566 5.331 30 20 IKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)cc2Cl)CC1)C(F)(F)F 1832606908 BLHFJFWXKAIKNH-LJQANCHMSA-N 442.909 5.000 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2oc(-c3ccccc3)cc2[nH]1 1847532575 ZQGJYNGKHJTOKI-GOTSBHOMSA-N 443.547 5.012 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cc(C)cc(C)c2)cc1 10172592 HYNOPRHREVXARL-UHFFFAOYSA-O 439.551 5.873 30 20 IKED N#CCCN(C(=O)COC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccccc1 11397302 IBRMUHRZNVCOKZ-UHFFFAOYSA-N 433.316 5.312 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1ccc(Cl)cc1 15748015 AZXRXOHLFGJOLG-HNNXBMFYSA-N 442.972 5.296 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)nnc1-c1ccco1 29547646 YNBJFQVYAMTCLU-NRFANRHFSA-N 446.532 5.205 30 20 IKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(CCC#N)Cc3ccco3)cc12 57614557 PYNJUMIURCZZAL-UHFFFAOYSA-N 438.940 5.257 30 20 IKED C=CCN(C(=O)c1ccc2c(c1)COC2)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 64380168 VYCWSZINUQMRIL-UHFFFAOYSA-N 438.552 6.340 30 20 IKED COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1OCCCC#N 64613160 MKQVEUJGQHVARM-DEOSSOPVSA-N 431.467 5.288 30 20 IKED CCn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nnc1-c1ccc(Cl)cc1 255926407 FJGYMIYVZOZQFH-UHFFFAOYSA-N 449.967 5.462 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(-c3nccs3)cc2)cc1 255951534 HZUBJPBOIUKOIM-UHFFFAOYSA-N 427.554 6.226 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1Sc1ncc(C(F)(F)F)cc1Cl 302919921 GVFZYVQDXYLACC-UHFFFAOYSA-N 444.841 5.401 30 20 IKED C[C@@H](Nc1cccc(NC(=O)C2CCCCC2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 426211078 RKHITEUNDNTQFR-GOSISDBHSA-N 436.531 5.092 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NCc1cccc(F)c1C#N 428356491 UXZHGEGEEYBSSZ-LBPRGKRZSA-N 430.346 5.743 30 20 IKED N#CCSc1cccc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c1 429938640 SQPKBJFYTRXBMA-UHFFFAOYSA-N 438.556 5.144 30 20 IKED Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c3c(C)noc3n2)cc1 436356702 BXTHMYWADCMLKM-VWNXMTODSA-N 436.515 5.419 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 437512903 KLGWJSRRWIMINK-GHTZIAJQSA-N 438.503 5.316 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 437908547 WLCJDEADIOILNO-IBGZPJMESA-N 427.548 6.388 30 20 IKED CCCc1c(NC(=O)N[C@@H](C)c2cccc(OC(F)F)c2)cnn1-c1cccc(C#N)c1 439665208 KNSVLVHXRQLOMR-HNNXBMFYSA-N 439.466 5.181 30 20 IKED Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)Nc1ccccc1SCCC#N 440595625 OOUCLGSNCINYPN-UHFFFAOYSA-N 445.544 5.157 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2cccc(-c3nc(C)cs3)c2)c1C#N 445565114 RXIUIDWIKFGQOG-UHFFFAOYSA-N 431.546 5.150 30 20 IKED N#Cc1cc(F)c(C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)c(F)c1 445873943 HDXMOTNNRGWYTE-UHFFFAOYSA-N 445.347 5.360 30 20 IKED C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2cc(Cl)c(Cl)cc2[C@H]1C 460950169 PBBRUIFXVWSZNW-HUUCEWRRSA-N 439.387 5.009 30 20 IKED Cc1cc(Cl)c2ccccc2c1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 462200149 FAMMHHRBUBWFLQ-UHFFFAOYSA-N 426.925 5.131 30 20 IKED C[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nc(-c2cccc(F)c2)no1 464925188 YGVSQROJBBCSRX-HNNXBMFYSA-N 428.423 5.031 30 20 IKED CCOc1cccc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1OC(F)F 465259140 SGELVDUWIIULOU-AWEZNQCLSA-N 435.496 5.403 30 20 IKED Cc1ccc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(OC[C@H]2CCCO2)c1 467489983 BXRPUYLFWKBNQR-AZUAARDMSA-N 439.581 5.269 30 20 IKED C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(=O)Nc1cccc(Cl)c1Cl 469261540 PBOKTVJYCACWHI-AWEZNQCLSA-N 445.350 5.015 30 20 IKED Cc1sc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1-c1ccc(F)cc1 469970483 BQGVPHOUWRFPMV-UHFFFAOYSA-N 447.535 5.698 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1ccccc1O[C@H]1CCOC1 470779323 MTILDDMUCGPWIJ-NRFANRHFSA-N 429.476 5.471 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 474506634 AVPMBUXAECVNCY-YFNKSVMNSA-N 430.939 5.306 30 20 IKED Cc1c(NC(=O)C[C@H](CC#N)c2ccccc2)cccc1C(=O)N1CCc2sccc2C1 474578452 UAACJCOMTKPEHH-FQEVSTJZSA-N 443.572 5.281 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 476116004 AERNGAJEELMYDT-UHFFFAOYSA-N 440.996 6.409 30 20 IKED N#C[C@H](C(=O)c1ccc(Sc2ccc(Cl)cc2)o1)c1nc(-c2ccncc2)cs1 478571404 WSGDRXZENQJORJ-MRXNPFEDSA-N 437.933 6.093 30 20 IKED CC(C)CN(C(=O)CCCC(=O)N(CC(C)C)c1ccc(C#N)cc1)c1ccc(C#N)cc1 480090891 BUKMFLBIZFHEHI-UHFFFAOYSA-N 444.579 5.278 30 20 IKED CCN(C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1)CC(F)(F)F 480586756 KLAYFQFEHZDLRT-GOSISDBHSA-N 446.473 5.089 30 20 IKED O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)N(CCC(F)(F)F)CC1CC1 482416812 CVQHHEZVZKPGNZ-CYBMUJFWSA-N 434.327 5.265 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccccc3OCc3cscn3)c2)cc1 483495134 AYOHFYJYRMVDEM-UHFFFAOYSA-N 427.485 5.638 30 20 IKED Cc1ccc(-c2cccnc2)cc1NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 484946767 GSMYBCPDRUFQSS-UHFFFAOYSA-N 448.482 5.298 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC2(CCCC2)c2c(F)cccc21 501049581 BWMCNANOGDNORQ-INIZCTEOSA-N 437.540 5.017 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)Cc3ccc(OC(F)(F)F)cc3)c2)cc1 501447247 CZYRCGJXQQWWCN-UHFFFAOYSA-N 440.421 5.411 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3nn(-c4ccccc4)c4c3CCC4)c2)cc1 501480602 PITXIBWUEKJMRT-UHFFFAOYSA-N 448.526 5.258 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 502316372 JNZSVRBRIRQVMZ-UHFFFAOYSA-N 440.503 5.658 30 20 IKED CCOc1ccc([C@H](NC(=O)c2ncc(C#N)cc2Cl)c2cccc(Cl)c2)cc1 502356789 UTFLOJPDEKWVEA-FQEVSTJZSA-N 426.303 5.178 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3nc(SCc4ccccc4)ns3)CC2)cc1 502658403 JZUIQQXYFLFYPZ-UHFFFAOYSA-N 433.562 5.023 30 20 IKED N#C[C@H](C(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(C(F)(F)F)cn1 502674203 CTWOKSXNNHBTLZ-INIZCTEOSA-N 438.434 5.505 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 504954845 BUKOKRNGKAHUGL-DEOSSOPVSA-N 432.955 5.511 30 20 IKED N#C[C@H](NC(=O)CCCc1ccc(Br)s1)c1cccc(C(F)(F)F)c1 505953909 KIIXCZVTJLBXJY-AWEZNQCLSA-N 431.277 5.233 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F 506881758 JFBOMJQEYIPEFE-UHFFFAOYSA-N 425.838 5.597 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(c2ncccc2Cl)CC1 508743817 AAQAMXYJJGGJQV-MRXNPFEDSA-N 441.938 5.176 30 20 IKED CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 509249272 WBYJMCPTDPDRFY-UHFFFAOYSA-N 430.464 5.701 30 20 IKED CC1(C#N)CCN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CC1 509411589 SEZNIUCVGNDMFF-JXAWBTAJSA-N 446.532 5.287 30 20 IKED CCN(C[C@@H](C)C#N)C(=O)c1cn(-c2ccccc2)nc1-c1ccc2ccc(OC)cc2c1 509709342 AVAMMBPWSDWVIG-IBGZPJMESA-N 438.531 5.323 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 510858247 ULYDFDDHQLMNBJ-UHFFFAOYSA-N 440.478 5.870 30 20 IKED CCN(C(=O)Cc1c(F)cccc1C#N)[C@H]1CCSc2ccc(Br)cc21 511155337 GJTRQWXAONNAQI-SFHVURJKSA-N 433.346 5.088 30 20 IKED CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511338447 GHVWHGJSDVPDDA-UHFFFAOYSA-N 443.503 5.114 30 20 IKED N#Cc1ccc(Cl)c(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)c1 512673277 NRLVTHRPZDPFFY-UHFFFAOYSA-N 448.885 5.193 30 20 IKED Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cccc(OCc2cccc(C#N)c2)c1 514572004 LDBUKUMHNNVOKT-MTJSOVHGSA-N 439.540 5.470 30 20 IKED C=CCN(C(=O)CCCNC(=O)c1ccc(Cl)cc1)c1nc(-c2ccccc2)cs1 514616803 HUVCOLWICBAUMB-UHFFFAOYSA-N 439.968 5.193 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSc1cccc(C(F)(F)F)c1 515172072 RGYWDXCIMWCNQS-UHFFFAOYSA-N 443.450 5.804 30 20 IKED Cc1ccc(-n2ncc(C(=O)Nc3cccc(OCCCC#N)c3)c2C(F)(F)F)cc1 515615521 XZRWRMCJNBUVIE-UHFFFAOYSA-N 428.414 5.134 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 517461228 FVKYUTXVABUFRP-INIZCTEOSA-N 449.557 6.250 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 517618604 QFYORGNARLDEIW-AWEZNQCLSA-N 441.944 5.006 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1coc(-c2cccs2)n1 518151465 RUTFSTQCZDLCDT-UHFFFAOYSA-N 437.468 5.609 30 20 IKED C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Nc1cccc(OCCCC#N)c1 518349617 XAOPYFBEJLWXJW-AWEZNQCLSA-N 439.865 5.871 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 518757818 KYWPQINNQTZPIK-KSFYIVLOSA-N 439.556 5.206 30 20 IKED COc1ccccc1N1CC[C@H](CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 519195701 OMJCDKJMXBWOES-HXUWFJFHSA-N 442.519 5.007 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1 519347630 KELWEEFTQMHFHT-HXUWFJFHSA-N 439.471 6.103 30 20 IKED CC(C)[C@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)N1CCc2ccccc2C1 520195591 DZNUTCANYGLXLU-XXBNENTESA-N 436.625 5.285 30 20 IKED Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)Nc2ccc(F)c(C#N)c2)C3)cc1 521343533 BLYPDFVVURWRGS-UHFFFAOYSA-N 443.482 5.240 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 521810631 XDTVQIBIHLXNOF-QVKFZJNVSA-N 425.554 6.193 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2csc(-c3c(F)cccc3F)n2)cc1 522378268 PRZJWUFDGBCNCG-UHFFFAOYSA-N 439.487 5.155 30 20 IKED Cc1cc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)ccc1OCC(F)(F)F 523099284 OVYCQULLZHEHDI-UHFFFAOYSA-N 427.382 5.247 30 20 IKED CC(C)Oc1ccccc1[C@@H](C)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 523811319 ZKZZUURZZVQCFZ-HXUWFJFHSA-N 445.538 5.958 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(CSCc2ccccc2)c1 523839150 QXOFIDBXVPDFCF-UHFFFAOYSA-N 432.593 5.418 30 20 IKED CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)Nc3ncccc3OCCCC#N)c12 524233694 RSDDGGGPJCPOSP-UHFFFAOYSA-N 433.512 5.019 30 20 IKED C[C@](C#N)(CCc1ccccc1)NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 532687389 SJCZJJHCCPGUCS-JOCHJYFZSA-N 443.494 5.403 30 20 IKED Cc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cccc1-c1ccccn1 535089302 RBVRMINAAOYKDL-UHFFFAOYSA-N 433.511 5.954 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)c3cc(Br)cc4cccnc34)n2)c1 536296523 FFFWWFQNMAPBIU-UHFFFAOYSA-N 435.306 5.245 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cnc(-c4cccnc4)s3)cc2Cl)cc1 536384183 XDGCZRAPXUUCQA-UHFFFAOYSA-N 432.892 5.775 30 20 IKED CNc1ccc(C#N)cc1NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C 537723357 CGWNNEAKMYQJFD-UHFFFAOYSA-N 428.496 5.055 30 20 IKED COc1ccccc1[C@H](NC(=O)NCc1ccc(-c2ccccc2C#N)cc1)c1ccccn1 538079955 JWSICZXFGGHHKQ-MHZLTWQESA-N 448.526 5.218 30 20 IKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1ccccc1Oc1ccccc1C#N 539755312 UZRJVTGJZMJWDW-UHFFFAOYSA-N 437.499 5.710 30 20 IKED Cc1ccc(OCCCC(=O)Nc2ccc(CN[C@@H](C)c3ccc(C#N)cc3)cc2)cc1 540597002 FTTRXSJTOQUWLV-NRFANRHFSA-N 427.548 5.515 30 20 IKED Cn1cnc(-c2ccc(NC(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)cc2)n1 541530399 JJLVQYVWGIACPN-UHFFFAOYSA-N 429.867 5.052 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)NCc2ccccc2-c2ccc(Cl)cc2)CC1 548900568 XVJRXHJQHWEULF-UHFFFAOYSA-N 430.939 5.169 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3csc(-c4ccc(Cl)cc4)c3)CC2)c1 550347032 BWBOYJISQZUXDI-UHFFFAOYSA-N 449.963 5.431 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(Cn4ccnc4)c3)cc2Cl)cc1 550864550 JCPOVAUFUPTVRQ-UHFFFAOYSA-N 428.879 5.501 30 20 IKED C[C@@H](Nc1ccc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cc1)c1ccccc1 552895363 KKFFSFPTKJQYDF-NQIIRXRSSA-N 428.511 5.335 30 20 IKED CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1SC[C@H](C)C#N 553404216 SQOVNLVMWVYQHQ-MRXNPFEDSA-N 435.515 6.400 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@](F)(c3ccccc3F)C2)cc1 558774235 KUUFKKMPUKVAAV-AREMUKBSSA-N 447.485 5.573 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1)c1nc2ccccc2[nH]1 561041550 CABDJCRBXFUTPR-AWEZNQCLSA-N 427.407 5.680 30 20 IKED N#Cc1ccc(NC(=O)N2CCC(c3noc4cc(F)ccc34)CC2)cc1C(F)(F)F 564371089 PJILMZPWXRRFCR-UHFFFAOYSA-N 432.377 5.269 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@H]1c1nnc(C2CCC2)o1 568677045 HMNVQAHFHDSOOU-QAPCUYQASA-N 425.558 5.348 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(C(F)(F)F)cn1 577086872 CLRMGKYGNQBQIM-ZDUSSCGKSA-N 425.501 5.224 30 20 IKED COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 578562767 VRDZNAKXSLUDAQ-UUOWRZLLSA-N 442.519 5.759 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 589792451 ILAXZXUUCSGJAJ-QHCPKHFHSA-N 434.923 5.139 30 20 IKED N#C[C@@H](C(=O)c1cnnn1-c1ccccc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 591862560 VVBQDURTJHRLOJ-AWEZNQCLSA-N 440.315 5.188 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1)c1nc2cc(F)ccc2s1 592973482 FVFAWXLPCZJXRV-QGZVFWFLSA-N 445.454 5.041 30 20 IKED Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)s1 596103458 ARZVCGRZKOMFRN-UHFFFAOYSA-N 446.528 5.671 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 603615420 YPXZWUDDDAFCRC-LBPRGKRZSA-N 425.554 5.492 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1 603738421 AYZBUOKJGRCRHO-MRXNPFEDSA-N 443.532 5.363 30 20 IKED CC(C)OCc1ccccc1CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 603823128 XUVYQXRFMYINBQ-UHFFFAOYSA-N 443.547 5.578 30 20 IKED Cc1cc(CN(C)C(=O)CSCc2ccc(C#N)cc2)cc(C)c1OCC(F)(F)F 604018554 UXUFQXMMRIOHIP-UHFFFAOYSA-N 436.499 5.008 30 20 IKED CCc1cc(C#N)c(NC(=O)CC[C@@H](C)CC(=O)Nc2sc(CC)cc2C#N)s1 604029288 MKTBLYWIKPOIBV-CYBMUJFWSA-N 428.583 5.061 30 20 IKED CC(C)(CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1 604139647 BPTQWYFBEHFFBR-UHFFFAOYSA-N 447.922 5.036 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 604621543 IAVYSANIWBRLSB-ZDUSSCGKSA-N 435.343 5.264 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1nc2cc(Cl)ccc2s1 606753658 LORHLOWGJXXACK-AWEZNQCLSA-N 446.841 5.644 30 20 IKED CC[C@H](NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)ccc1F 607233065 WZYLWALABIAORL-FCHSOHFDSA-N 432.355 5.625 30 20 IKED N#Cc1cc(NC(=O)c2cccnc2SCc2ccc(Br)cc2)ccc1F 609102927 NIWZJJXWKWIDGO-UHFFFAOYSA-N 442.313 5.399 30 20 IKED N#Cc1ccc(CSCC(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cc1 609187909 YUVHIXXJXSILFU-LJQANCHMSA-N 437.565 5.248 30 20 IKED CCOc1ccc([C@@H](NC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccc2)cc1 609434628 DIGMDGKGWCPPNS-DFBJGRDBSA-N 445.588 6.391 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NCCc3nc(-c4ccc(Cl)cc4)no3)c2)cc1 609453937 NENOELHZTMAXDK-UHFFFAOYSA-N 444.878 5.026 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCC1(N[C@H](C)c2ccccc2)CCCC1 609469813 NEEAQOPBPQKFQJ-WOJBJXKFSA-N 436.625 5.866 30 20 IKED COc1ccc(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1OC(F)F 609500567 VVZGCJCHBCUUBT-UHFFFAOYSA-N 438.430 5.085 30 20 IKED C[C@@H]1CCCN(Cc2csc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)n2)C1 609660477 VXPFXQFXIUMXCZ-GOSISDBHSA-N 446.576 5.078 30 20 IKED Cc1sc(NC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)c(C#N)c1C 609753626 FHPBJARNXRURFC-UHFFFAOYSA-N 427.576 5.281 30 20 IKED COC[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1cccc(C(F)(F)F)c1 609825945 CZSCDAXHRQHOSJ-XMMPIXPASA-N 440.465 5.633 30 20 IKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1ccccc1Oc1ccccc1C#N 611503123 MLRUXBUVIMYZQE-BKMJKUGQSA-N 426.516 5.590 30 20 IKED N#Cc1cc(NC(=O)CCC(=O)c2ccc3ccccc3c2)ccc1OCC(F)(F)F 613869427 PENJYHWWAMWLFD-UHFFFAOYSA-N 426.394 5.254 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1 619539335 PNWMLXYARNZQAY-KRWDZBQOSA-N 428.439 5.510 30 20 IKED Cc1c(CNC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)oc2ccc(F)cc12 620089964 AUQLAGZSMNSGEE-PJXYFTJBSA-N 440.359 5.589 30 20 IKED CCCCN(Cc1ccccc1F)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 622093114 YMGGURWSOYCTRU-GJZGRUSLSA-N 442.419 6.047 30 20 IKED C=CCn1c(SCc2ccc(OCc3ccncc3)cc2)nnc1-c1cccc(C)c1 622507744 RUJNMIUUUUNGDH-UHFFFAOYSA-N 428.561 5.706 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(Cl)ccc1OC(F)F 673987857 COQQMHVSVDOUGI-HTQZYQBOSA-N 439.730 5.581 30 20 IKED Fc1ccc([C@H](NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c2cccnc2)c(F)c1 680336792 MWKGDBSLVWFGIQ-ZJNRKIDTSA-N 438.362 5.948 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2cc(F)cc(F)c2Br)c1C(F)F 682438159 BJADZTNDLOGGET-UHFFFAOYSA-N 448.136 5.152 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1nc2ccccc2o1 726322832 OXBFZCGEOYYJRN-OAHLLOKOSA-N 427.407 5.389 30 20 IKED CC(=NNc1ccc(S(=O)(=O)C(F)F)cc1)c1cc2cc(Br)ccc2o1 726426679 YLFPNWRLBQPUJH-UHFFFAOYSA-N 443.269 5.028 30 20 IKED CN(C[C@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1)C(=O)OC(C)(C)C 729552326 DIPLPPFNSTWNSF-AUSIDOKSSA-N 448.567 5.063 30 20 IKED CC(C)[C@@H](OC(=O)c1cc2ccccc2n1CC#N)C(=O)Nc1cccc(C(F)(F)F)c1 729767125 VRNLXIJGWDQEKK-HXUWFJFHSA-N 443.425 5.004 30 20 IKED CC(C)c1cc(=O)oc2cc(OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)ccc12 730953254 AXRCBTHAJYOYGF-INIZCTEOSA-N 436.533 5.328 30 20 IKED Cc1ccc2c(CC(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)coc2c1C 731060803 QJVGWYQSNGCBRD-HNNXBMFYSA-N 436.533 5.026 30 20 IKED Cc1sc2ncn(N=Cc3cn(C(C)(C)C)nc3-c3ccccc3Cl)c(=O)c2c1C 731148967 BZRUCAZCYPKITM-UHFFFAOYSA-N 439.972 5.229 30 20 IKED C[C@@H](CC#N)Sc1ccccc1N/C=C1\C(=O)N(c2ccccn2)C(=O)c2ccccc21 731339415 VRWUEELUEUOYPX-IMGOXIFKSA-N 440.528 5.116 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1sc2cc(C(C)C)ccc2c1Cl 732636757 AVBRMGFLIVKGNH-UHFFFAOYSA-N 433.964 6.427 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](C)c2cc(Cl)ccc2Cl)ccc1OC 733646519 SZOBAZFWDKPLPR-CJNGLKHVSA-N 436.339 5.243 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 734318849 UIKJATIBRCXLJG-UHFFFAOYSA-N 443.503 5.737 30 20 IKED C=CC[C@@H](NC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C)c1ccncc1 734360001 FCEGARGXLHZYFM-JOCHJYFZSA-N 445.592 5.800 30 20 IKED C=CC[C@@H](NC(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C)c1ccncc1 734361019 QUTXBBZUTZWJQV-HXUWFJFHSA-N 431.565 5.491 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2nc(-c3ccccc3)n[nH]2)cc1Cl 735567710 UKFJVDIDZQLZMC-HXUWFJFHSA-N 442.910 5.102 30 20 IKED CN(C[C@H]1CCCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1)C(=O)OC(C)(C)C 737806793 LKLSGYUHIVTGCQ-HXUWFJFHSA-N 448.567 5.021 30 20 IKED COc1ccc(-c2nn(CN(CC#N)C3CCCC3)c(=S)n2C2CCCCC2)cc1 738256640 QOGNMKQEWOCRMI-UHFFFAOYSA-N 425.602 5.321 30 20 IKED O=C(/C=C\c1csc(-c2ccsc2)n1)c1ccc(S(=O)(=O)C2CCCC2)cc1 741447560 OGHRLNHXMZOJBM-YFHOEESVSA-N 429.588 5.484 30 20 IKED CCOc1cc(C=NN=C(C)c2cnccn2)ccc1OCc1c(F)cccc1Cl 745202455 ZYIOQUHJRQRFKH-UHFFFAOYSA-N 426.879 5.090 30 20 IKED Cc1cc(C#N)ccc1C(=O)Nc1cccc(N(CC2CC2)C(=O)c2ccc(C#N)cc2C)c1 749151083 RVRPHVHHRBHNCV-UHFFFAOYSA-N 448.526 5.356 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=S)Nc2c(C)cc(C)cc2Cl)cc1 751015654 XBQDLHCLFZZDJC-UHFFFAOYSA-N 437.952 6.438 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)cc1C#N 752258464 DWCAQIWEBXOOTF-UHFFFAOYSA-N 446.467 5.007 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2c(C)cc(C)cc2Br)cc1C#N 752293094 NJAURIVSFXEHMB-UHFFFAOYSA-N 431.290 5.150 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(Cc2ccccc2)[C@H](C)c2cccs2)cc1C#N 752308142 PXPVGCSFZXALEX-QGZVFWFLSA-N 448.548 5.983 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cc(Cl)c(F)c(Cl)c2)ccc1OC 755508422 DZFSRXSLRUCRTK-ZDUSSCGKSA-N 426.275 5.144 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(Cc2cccc(F)c2)C2CCCC2)ccc1OC 757212409 WIIJNOAZUAMXOA-QFIPXVFZSA-N 439.531 5.170 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CCc3ccc(Cl)cc3C2=O)cs1 761206159 OPUBJIYYIKYDOP-GDNBJRDFSA-N 426.900 5.833 30 20 IKED N#C[C@H](C(=O)Cn1c(C2CCCCC2)nc2ccccc21)c1nc(-c2ccncc2)cs1 762049390 CHJSYBKRZLKLSC-LJQANCHMSA-N 441.560 5.479 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)cc1 763004229 HCFBCJSLAMLPOV-MRXNPFEDSA-N 439.468 5.020 30 20 IKED N#Cc1cc(NC(=O)Cn2c(C3CCCCC3)nc3ccccc32)c(Cl)c([N+](=O)[O-])c1 764314923 KEZDXFFQFTZCQT-UHFFFAOYSA-N 437.887 5.156 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(O)(c2ccccc2Cl)CC1 765282887 LREUIHSMBSLTBA-MRXNPFEDSA-N 429.973 5.250 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 765451632 BHXZQZVRQVBUKO-ROUUACIJSA-N 445.629 5.550 30 20 IKED Cc1ccccc1-n1nc(C)c2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)sc21 766257344 IUAJRJZTPRUAQZ-MRXNPFEDSA-N 448.935 5.318 30 20 IKED C=CC[C@H](OC(=O)[C@H](C)SCc1nc(O)c2c(C)c(C)sc2n1)c1ccccc1 778740208 VULJEIFHRQEPRT-RDJZCZTQSA-N 428.579 5.496 30 20 IKED CC(C)n1cc2c(n1)[C@H](NC(=O)Nc1ccc(Oc3ccccc3C#N)c(F)c1)CCC2 780427845 VCVFYMIBCBDYCM-HXUWFJFHSA-N 433.487 5.466 30 20 IKED CC[C@H](NC(=O)[C@H](C#N)C(=O)c1sc(-c2ccc(Cl)s2)nc1C)c1ccccc1 787035439 DUMUEBRQAMQDMS-CABCVRRESA-N 443.981 5.423 30 20 IKED N#CC[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1 796642740 HHQSOGLSCSXRBW-MAUKXSAKSA-N 440.355 6.381 30 20 IKED COc1cccc(C(=O)CCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 796765881 UASXERYKXKANEW-IBGZPJMESA-N 438.936 5.702 30 20 IKED Cc1ccc(-c2nc(-c3ccccc3-c3ccc(CN4CCCC4=O)cc3)no2)cc1C#N 809282617 QGWQWOQFWWNCJJ-UHFFFAOYSA-N 434.499 5.373 30 20 IKED C#C[C@H](NC(=O)N1CCC(c2nc(-c3ccccc3OC)cs2)CC1)c1ccc(F)cc1 812934270 TXFRDDOZIXMGDQ-NRFANRHFSA-N 449.551 5.221 30 20 IKED NC(=O)Nc1cc(NC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F 814343032 MGRIOSHTGNTICL-DAFODLJHSA-N 435.299 5.006 30 20 IKED CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1oc2cc(C)ccc2c1CC(=O)O 814769582 CNZROGTXNAAHJX-UHFFFAOYSA-N 442.397 5.166 30 20 IKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(C2CC2)C1=O 838546287 GWRCRULNHHBISB-GOSISDBHSA-N 449.910 5.049 30 20 IKED COC(=O)c1sc2ncc(C(=O)/C=C\c3cccc(OC)c3OC(C)C)cc2c1C 914773660 PDHGPWISDLUQGT-KTKRTIGZSA-N 425.506 5.083 30 20 IKED C#Cc1cccc(NC(=O)NC[C@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)c1 915339724 GELHPSTZZHUFEL-HSZRJFAPSA-N 439.515 5.120 30 20 IKED COc1cc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)ccc1OCC(=O)O 916138468 QNHFAQPZRYDGJS-AQTBWJFISA-N 445.496 5.192 30 20 IKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1cc2ccccc2nc1Cl 916278864 ZWTMBVBBGYVVQX-UHFFFAOYSA-N 429.936 5.395 30 20 IKED COc1ccccc1NC(=O)c1cc2ccccc2cc1OC(=O)/C=C/c1ccccc1C#N 916879067 IUYQVVZZQZMNSR-CCEZHUSRSA-N 448.478 5.591 30 20 IKED Cc1cc(OCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1Cl 916908422 MLFSOPJKGSRSEY-LJQANCHMSA-N 434.879 5.167 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)Nc1ccccc1Cl 916910933 SXCVBOJLXJARFR-CQSZACIVSA-N 430.316 5.007 30 20 IKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C 916931319 PVSIGWGOIKKUDY-JOCHJYFZSA-N 429.520 5.187 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)n2)cc1 916973166 VSSGTOOZSPTRJU-IBGZPJMESA-N 433.533 5.956 30 20 IKED CC(C)(C)n1cc(C(=O)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1 916996549 KWSZAGZQMDJERY-CQSZACIVSA-N 447.347 5.128 30 20 IKED Cc1cccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 916996691 OAMYMDBEHBLBFH-SUMWQHHRSA-N 431.344 6.069 30 20 IKED CC(=O)N[C@H](CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccc(Cl)cc1 917045809 ADACFYYZRLPLQC-HZPDHXFCSA-N 432.332 5.047 30 20 IKED CCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(CC(C)C)cc2)cc1 917612563 YUWPRJSLBXXUHY-UHFFFAOYSA-O 442.608 5.930 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2SCc2cc(C)no2)cc1 919868002 JCRCCAMIYDWMRG-UHFFFAOYSA-N 447.560 5.342 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(Cl)s2)n1 920104287 PTZYYYZBPHYGAH-GFCCVEGCSA-N 425.922 5.520 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccoc4cn3)CCC2)cc1 1789458306 VUNHLXDSWXLBHP-NRFANRHFSA-N 429.520 5.344 30 20 IKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)o1 1789507830 XTUDGXXNPKVGPQ-UHFFFAOYSA-N 436.628 5.387 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1Oc1ccccc1 1799549383 CIYCLDGCDMDRID-JTOYRKQZSA-N 444.575 5.499 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)s2)[C@H]1c1cccnc1 1810494620 FRABHYNWKLQKHP-XLIONFOSSA-N 446.016 5.109 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3occc3c2)[C@@H]1c1cccnc1 1810500734 VBJNCDVCJYAXBP-LADGPHEKSA-N 445.563 5.140 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(OCC)c2)[nH]n1 1819555758 ZTYDYVOPENFXGT-OAQYLSRUSA-N 438.572 5.107 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(OC)c2C)[nH]n1 1819557146 ZMWMPKDKSBHHQL-HXUWFJFHSA-N 438.572 5.025 30 20 IKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)C(C)C)CC1 1824237186 ZHHXXBYEFCIDJX-HJOGWXRNSA-N 444.685 5.000 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCC(F)(F)CC2)CC1 1824329045 BSUAUTIWSMWVLM-YADHBBJMSA-N 436.587 5.200 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CSc2ccccc2)CC1 1826520366 LJRUZHXLXCQXEP-HSZRJFAPSA-N 442.669 5.391 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C2CCCCC2)CC1 1828827561 PAEVVFWEFPFODA-LJAHQNNKSA-N 426.645 5.511 30 20 IKED Cc1ccccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829689413 DGZQTYVVVBJKOG-HSZRJFAPSA-N 449.982 5.067 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(F)cc2F)CC1 1831374588 QZMONZOFVLNWFB-VFNWGFHPSA-N 438.946 5.064 30 20 IKED C[C@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)N(CCC#N)c1ccccc1 10015103 CIFRSZHMCGSEFQ-SFHVURJKSA-N 449.580 5.471 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2cc(C)n(C)c2C)[n+]2ccc(C(C)(C)C)cc2)cc1 10173504 PUOMSQABNSIHHZ-UHFFFAOYSA-O 448.656 5.840 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cccc(CC)c2)cc1 10174669 HHZZQJFABFRILR-UHFFFAOYSA-O 439.551 5.818 30 20 IKED C=CCn1c(SCc2ncc(-c3ccc(F)cc3)o2)nc2sc3c(c2c1=O)CCC3 11150698 QFAMAVCBZXNVAO-UHFFFAOYSA-N 439.537 5.219 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1cccc2ccccc12 21459815 YKQJYHKYNUWPPW-UHFFFAOYSA-N 448.523 5.066 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc(CC)cc2)cc1 22730394 AHBMZSPGHYNEHS-UHFFFAOYSA-O 439.988 5.640 30 20 IKED C=CCn1c(Sc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])nnc1-c1ccoc1C 302921325 LYXGVIINWDEHCB-UHFFFAOYSA-N 446.488 5.323 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCCN(c3ccccc3)C2)cc1 303630801 FNXOOVGWRQRHCS-QFIPXVFZSA-N 427.573 5.249 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1coc(-c2ccc(F)cc2)n1 303647092 WLTJMONARWIOLF-UHFFFAOYSA-N 441.462 5.421 30 20 IKED C=CC[C@@H](CC)NC(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 410136447 RWNHNTOBYXOCPV-GOEBONIOSA-N 427.595 5.157 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3c(F)ccc(Br)c3F)cc2)c1 426465000 ZSWXFADWFAMVNX-UHFFFAOYSA-N 443.247 5.430 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3s2)nn1-c1ccc(Br)cc1 432230762 HZBLNWAQZXULAA-HNNXBMFYSA-N 437.322 5.043 30 20 IKED C[C@@H](NC(=O)[C@@H](C#N)CCc1ccccc1)c1ccc(NC(=O)Nc2ccccc2)cc1 433221094 OSJGNDVHDLAOHQ-DENIHFKCSA-N 426.520 5.280 30 20 IKED COc1cccc(F)c1[C@H](C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 437947726 PPUFVLJTKZNRSC-HNNXBMFYSA-N 437.446 5.307 30 20 IKED C[C@@H](Sc1ccccc1C#N)C(=O)Nc1ccc(Br)cc1Br 439697590 VQXSZBXVZUYTIL-SNVBAGLBSA-N 440.160 5.203 30 20 IKED COc1cnccc1[C@@H](C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 446158990 VALSQYIOHXDCNZ-OAHLLOKOSA-N 436.899 5.077 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 460772024 XRDCQDGXCHPENF-OFJJUDJNSA-N 428.989 5.109 30 20 IKED O=C(c1cc(-c2ccccc2C(F)(F)F)on1)N(CCC(F)(F)F)CC(F)(F)F 464532030 YJNXWXBSRBVUFJ-UHFFFAOYSA-N 434.258 5.317 30 20 IKED Cc1ccc(-c2nc(CNC(=O)c3ccccc3Sc3ccccc3C#N)co2)cc1 465183533 IPWZHEKXLIWYPG-UHFFFAOYSA-N 425.513 5.603 30 20 IKED C[C@H]1CCN(CCOc2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2)C1 465195862 RYZRQSVCNBMFBL-FQEVSTJZSA-N 425.532 5.198 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN([C@@H](C)c2nccs2)CC1 467154838 IENNMNPQOOAXGZ-SFHVURJKSA-N 447.564 5.026 30 20 IKED N#C[C@@H]1N(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)CCC[C@]12CCCCO2 468652521 IRMDHNBBJILJST-AZGAKELHSA-N 430.504 5.079 30 20 IKED COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)Nc1ccccc1S[C@H](C)CC#N 470361625 DZTSGJXIVUEQQR-LSDHHAIUSA-N 433.961 5.792 30 20 IKED C[C@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@H]1c1cccc(F)c1 472694770 UTUNRWIICRQXRT-BXKMTCNYSA-N 442.494 5.565 30 20 IKED CCc1c(NC(=O)C[C@H](CC#N)c2ccccc2)cnn1-c1ccc(C(F)(F)F)cc1 477011079 LDCJLDCTADOFTQ-KRWDZBQOSA-N 426.442 5.480 30 20 IKED Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 477072782 VHBGTWGWXXNFSQ-UHFFFAOYSA-N 449.486 5.323 30 20 IKED Cc1nn(CC(F)(F)F)cc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 477321789 GVJRCKPFVVPCOR-QGZVFWFLSA-N 432.833 5.315 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cc2)cc1 477813891 FOTQUIHEVJSMHB-HXUWFJFHSA-N 442.425 5.780 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1ccc(OC(C)C)c(OC)c1 479811887 DYYJRYILDPYUAN-LJQANCHMSA-N 428.577 5.109 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2cc(Br)cs2)n1)c1cnc2ccccc2n1 483189115 BKXDRWKWKNTXDU-LLVKDONJSA-N 441.335 5.067 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@@H](C#N)c3nccc4ccccc34)c12 483216463 AMPXSSBKVBDTAB-FQEVSTJZSA-N 425.536 5.656 30 20 IKED COc1cccc2[nH]cc(CC(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c12 485627343 DPKLOCLYDRIBSO-UHFFFAOYSA-N 433.455 5.382 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 485695731 MHGJTTMMWCHJHZ-GOSISDBHSA-N 427.342 5.366 30 20 IKED Cc1ccc2ncc(C#N)c(OCC(=O)N3CCc4sccc4[C@@H]3c3ccccc3)c2c1 488287339 CDICMWAPJLLRRB-VWLOTQADSA-N 439.540 5.030 30 20 IKED O=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1cnn(-c2ccccc2F)c1C(F)(F)F 488447904 LAWBQVLBRADVSD-UHFFFAOYSA-N 449.370 5.415 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](CC)C(=O)c3ccc(NC(C)=O)cc3)o2)cc1 489806752 QROMVNVDEZCTGC-HXUWFJFHSA-N 437.521 5.013 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 495164926 PWYHEYDTMPSIMT-UHFFFAOYSA-N 440.297 5.782 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC1(c2ccccc2Br)CC1 498160810 FDTKJMYSJHHMGT-UHFFFAOYSA-N 445.405 5.046 30 20 IKED O=C(COc1cccc(C(F)(F)F)c1)Nc1cccc(COCC(F)(F)C(F)F)c1 502099229 KSCYGXHBYLDKSQ-UHFFFAOYSA-N 439.327 5.140 30 20 IKED CC[C@H](C)n1c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccccc1 504314716 POPLZOSEVAOKDO-AWEZNQCLSA-N 425.945 5.172 30 20 IKED COCCSc1ccc([C@@H](C)NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 504704077 SPKDATKXGKENCW-LJQANCHMSA-N 446.572 5.367 30 20 IKED C=C(C)[C@H](NC(=O)Nc1cccc2c1CN(CC(F)(F)F)C2)c1ccc(F)c(F)c1 504825462 OMBFUAFPZQNVGI-IBGZPJMESA-N 425.401 5.282 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 505015989 AEVIRKPEPYROED-UHFFFAOYSA-N 432.351 5.102 30 20 IKED CC[C@@H](C)n1c(SCC(=O)N[C@@H](C#N)c2ccccc2Cl)nnc1-c1ccccc1 505638932 OZBGLDYYLUAXDM-BEFAXECRSA-N 439.972 5.043 30 20 IKED C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 508867263 PGKRIGHQEOYULJ-IBGZPJMESA-N 448.542 5.151 30 20 IKED C[C@H]1C/C(=C\c2ccco2)c2nc3ccccc3c(C(=O)N3CCC(C)(C#N)CC3)c2C1 509414877 ISENIBGIJRADDY-BDBAMQCISA-N 425.532 5.717 30 20 IKED C[C@H]1CCCCN1CCCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510003730 AUJUWGTXKWYQEJ-WMZHIEFXSA-N 439.003 5.772 30 20 IKED CC(C)c1cnc(-c2ccc(NC(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)cc2)o1 510124990 UXPVGOIVGKYNAA-UHFFFAOYSA-N 445.523 5.243 30 20 IKED COc1ccc(OC)c([C@@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 511337270 HDZNMNXVGNDMGE-GOSISDBHSA-N 445.519 5.232 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H]3CCSc4ccccc43)c2)c1 511458676 FLXXIWKSPHZKIM-OAQYLSRUSA-N 428.517 5.169 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 512542793 VCAJVVFRFKAXEY-UHFFFAOYSA-N 441.576 5.323 30 20 IKED Cc1c(C#N)cccc1C(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 512698396 AHPHPAUHSQXWDW-GOSISDBHSA-N 442.359 5.118 30 20 IKED C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCC(Oc2ccc(C#N)cc2F)CC1 512815548 CVZIIUBIVIXSFJ-CQSZACIVSA-N 426.879 5.005 30 20 IKED COc1cc([C@H](C)NC(=O)CSCc2ccc(C#N)cc2)ccc1OCc1ccccc1 515685190 XXHSHPZWGKCXNQ-IBGZPJMESA-N 446.572 5.256 30 20 IKED CC(C)[C@H](Oc1ccccc1Br)C(=O)Nc1cccc(OCCCC#N)c1 516006946 HVNUPSFQBHHULB-FQEVSTJZSA-N 431.330 5.174 30 20 IKED Cc1ccc([C@@H](NC(=O)CNc2ccccc2S[C@@H](C)CC#N)c2cccs2)cc1 517534889 JDHNXFRDKALWRY-MHECFPHRSA-N 435.618 5.769 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cc(Cl)ccc3-n3cncn3)cc2)cc1 518374270 DLBRPLGHMUYZLR-UHFFFAOYSA-N 429.867 5.031 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-n4ccnc4SC)cc3)n2)cc1 518515518 WXZQBJXPMFUZLY-LJQANCHMSA-N 446.557 5.216 30 20 IKED C=CCOc1ccccc1CNCc1cc(Br)c(OC)c(Br)c1 518980181 JMQXJQIBSWZKQK-UHFFFAOYSA-N 441.163 5.075 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cc1 519306177 UPPPNJAOBVIHAS-QGZVFWFLSA-N 430.360 5.657 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccccc4Cl)c3)n2)cc1 520337065 QCJDCWDNNDBLPW-KRWDZBQOSA-N 434.908 5.148 30 20 IKED C[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nc(-c2ccncc2)cs1 520349685 LEWRWUMFXSHWCW-INIZCTEOSA-N 426.501 5.360 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1cc2c(cc1Cl)OCCO2 520813439 GPGQVWTUWAMXCX-CYBMUJFWSA-N 434.970 5.236 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 520924006 DFHJTXQNNJDESE-AWEZNQCLSA-N 427.982 6.039 30 20 IKED C[C@H](C#N)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 521534751 XYMUJTDHPSILJZ-MCRQTXEHSA-N 440.503 5.252 30 20 IKED CCn1c([C@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)nc2ccccc21 522171371 SDOMYCSZZKHHLJ-KRWDZBQOSA-N 426.545 5.570 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)ccc1[N+](=O)[O-] 523230823 RXLGKHJVKHJDLQ-XYUGOERHSA-N 437.521 5.018 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC(C)(C)c2nc(C)c(C)s2)cc1 524084431 LASKAPUAOZVKSI-UHFFFAOYSA-N 436.537 5.489 30 20 IKED COc1cccc(NC2CCN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)CC2)c1 524121619 VNKANCYZDJNZRF-UHFFFAOYSA-N 426.520 5.027 30 20 IKED CC[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 524913092 BLDWWBVWFRKILQ-WBVHZDCISA-N 425.916 5.027 30 20 IKED C[C@H](O)C[C@@H](CNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccccc1 534148812 GPMHAJRFOPOEDO-UWJYYQICSA-N 434.923 5.288 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C)nc4ccc(OC)cc34)n2)cc1 538769243 SDVKHTGPOHGYEL-FQEVSTJZSA-N 429.501 5.174 30 20 IKED COc1ccccc1COC1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c23)CC1 538776919 KDYLLNOYECRHAM-UHFFFAOYSA-N 425.891 5.093 30 20 IKED Cc1ccc(NC(=O)Cc2nc(CSc3ccc(C#N)c(C(F)(F)F)c3)cs2)cc1 541075691 BXZWRYONRNPUKZ-UHFFFAOYSA-N 447.507 5.816 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 541112900 AKHFBHIZAAJJFN-ZDUSSCGKSA-N 445.466 6.315 30 20 IKED Cc1cc(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(C)n1Cc1ccccn1 542062652 ZBQXYYYVISPCQO-FQEVSTJZSA-N 434.543 5.578 30 20 IKED CCCCn1c(SCC(=O)N2CCC(CC#N)CC2)nc2cc(C(F)(F)F)ccc21 542913816 LFHDUHGWGPCNHZ-UHFFFAOYSA-N 438.519 5.100 30 20 IKED N#CCCn1cc(CNc2ccc(C(=O)N3CCCCC3)c(Cl)c2)c(-c2ccccc2)n1 551448969 PFSYMILUJAKKPC-UHFFFAOYSA-N 447.970 5.355 30 20 IKED N#CCCN(C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1ccc(F)cc1 553818509 USXCZHKVQRGIMV-UHFFFAOYSA-N 429.904 5.004 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CC[C@@H](c2ccccc2OC)C1 555260646 IWESNCPFPWSHRE-HXUWFJFHSA-N 425.536 5.072 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 556463379 WAJUNUWXJGASQU-IRLDBZIGSA-N 425.960 5.094 30 20 IKED CC(C)N(Cc1ccc(NC(=O)c2cc(C#N)ccc2Cl)cc1)C[C@@H]1CCCCO1 556957042 GMLSPWRAZOWTNV-NRFANRHFSA-N 425.960 5.243 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3cncn3Cc3ccccc3)cc2Cl)cc1 558490225 WOEQVFKWCQPBFO-UHFFFAOYSA-N 442.906 5.430 30 20 IKED N#CC1(c2ccccn2)CCN(Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)CC1 569943030 NPKGOOGUVWIWQF-SFHVURJKSA-N 443.391 5.011 30 20 IKED FC(F)(F)CCc1noc(-c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)n1 571802269 WCTIYHXKJJIPNM-UHFFFAOYSA-N 438.246 5.114 30 20 IKED COc1ccccc1O[C@H]1CCCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 579749349 SAIHCBZDENRBHV-MSOLQXFVSA-N 425.554 5.165 30 20 IKED N#Cc1ccc(NC2CC2)c(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)c1 583888579 RXCBTWKPNPTYQA-UHFFFAOYSA-N 442.466 5.456 30 20 IKED Cc1cccc(-n2ncc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c2C(F)(F)F)c1 592974100 NTOLIRXBUFWEJR-AWEZNQCLSA-N 444.413 5.438 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2coc(-c3ccccc3)n2)cc1Cl 603765986 HRGYSGLVVQIMST-JOCHJYFZSA-N 427.891 5.832 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 606831839 SDYGZGHKFQBCLO-OAHLLOKOSA-N 430.426 5.431 30 20 IKED O=C(NCc1cc(F)ccc1F)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 608764566 JFSGOXPEDZHVLX-UHFFFAOYSA-N 449.301 5.118 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](COc1ccccc1F)c1ccccc1 608918084 COEUDEZKRNALMQ-DEOSSOPVSA-N 431.511 5.438 30 20 IKED Cc1cccc(COc2ccc([C@H](C)NC(=O)CCc3c(C)nn(CCC#N)c3C)cc2)c1 609033285 PSUNWLZLEYVSBO-FQEVSTJZSA-N 444.579 5.111 30 20 IKED Cc1ccc(NC(=O)CNc2cccc(Oc3ccc(C#N)cc3)c2)c(Br)c1 609220674 HFNXTHYALBWRGY-UHFFFAOYSA-N 436.309 5.472 30 20 IKED CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)NCc1ccc(C#N)cc1F 609254349 KNHJGXBGJXOWRG-UHFFFAOYSA-N 438.478 5.046 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cnn1-c1ccccc1Cl 609563393 CLXUBFURIFZYLA-UHFFFAOYSA-N 429.867 5.145 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)N[C@H](C#N)c2ccccc2Br)cc1 609592310 XKELIJURSWUIDH-GOSISDBHSA-N 440.366 5.113 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC1(c2nccs2)CCCC1 609712405 PLNOITYUUJKGIG-UHFFFAOYSA-N 432.549 5.493 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccccc3CN3CCSCC3)c2)cc1 609987899 OJZAKGNYJWATDE-UHFFFAOYSA-N 428.561 5.103 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Nc3ccc(O[C@H]4CCOC4)cc3)cc2F)c1 610095377 RAKURSBQMYMZDS-QFIPXVFZSA-N 447.466 5.088 30 20 IKED CN1CCC[C@@H](CNc2c(C#N)nnc3ccccc23)[C@H]1c1ccc(C(F)(F)F)cc1 610131306 NKIZEKMBGNQXQB-KSFYIVLOSA-N 425.458 5.015 30 20 IKED Cc1cc(C(=O)N[C@@]2(C#N)CCSC2)ccc1N[C@@H](C)c1cc(Cl)ccc1Cl 610166295 NYPSOVVPFSQVOG-LHSJRXKWSA-N 434.392 5.604 30 20 IKED CCCCCc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 615059332 WDTSCEQMXHBPMO-UHFFFAOYSA-N 428.492 5.055 30 20 IKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c12 679541830 YZVZYAJFNHHZLH-CQSZACIVSA-N 446.463 5.845 30 20 IKED C#CCN(Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1)[C@H]1CCc2ccccc21 726185417 KZZMASHIGZAMQG-VWLOTQADSA-N 429.589 5.567 30 20 IKED N#Cc1cccnc1Oc1ccccc1NC(=S)NCCc1ccc(Cl)cc1Cl 726462260 FXTPGUIXWUROBF-UHFFFAOYSA-N 443.359 5.581 30 20 IKED C#Cc1cccc(N2C(=O)/C(=C/c3ccccc3OCc3ccncc3)SC2=S)c1 726626266 CJMHUUPLYLOYDR-JCMHNJIXSA-N 428.538 5.048 30 20 IKED N#C[C@H](C(=O)CCc1ccccc1OC(F)(F)F)C(=O)Nc1cccc2ccccc12 727628308 UQCWSMFLASQUMI-GOSISDBHSA-N 426.394 5.019 30 20 IKED Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3ccc(COc4ccc(C#N)cc4)o3)o2)c1 728108504 AFBVRDGKHRTTKT-MRXNPFEDSA-N 429.432 5.007 30 20 IKED COc1cc(/C=C2\CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)cc(OC)c1O 728438164 BJWUOPXCMJRZGW-NTEUORMPSA-N 427.909 5.399 30 20 IKED N#CCOc1ccc(CNC(=O)[C@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)cc1 730218237 ILRCXIIWMJRRPT-JOCHJYFZSA-N 441.314 5.332 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 730396590 SHQMNJXFDIAAIK-QGZVFWFLSA-N 449.297 5.293 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(NC(=O)CC3CCCC3)CC2)cc1 731398831 WYZQDXRLGSYVPF-VWLOTQADSA-N 444.579 5.035 30 20 IKED Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 731645988 VPWCISYXVBPHEC-HXUWFJFHSA-N 443.286 5.281 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Oc3ccc(NC(=O)c4ccco4)cc3)cc2)cc1 732496083 MTVZNIKIPPGLGD-UHFFFAOYSA-N 438.439 5.609 30 20 IKED N#CCOc1ccc(CC(=O)O[C@H](c2ccccc2)c2cccc(Br)c2)cc1 732504658 ZKUXDIAZXUQNJX-HSZRJFAPSA-N 436.305 5.227 30 20 IKED C#CCN(C(=O)Nc1ccc2[nH]c(C)cc2c1)[C@@H]1CCOc2ccc(Br)cc21 733631571 JVDJQAXQMLYILE-HXUWFJFHSA-N 438.325 5.230 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)NCc2cccc(Oc3ccccc3)c2)ccc1OC 733642537 MJMXQVLZYLYCCK-NRFANRHFSA-N 445.519 5.168 30 20 IKED C[C@H](Sc1ccc(Br)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 734081772 RJMUZUOKLWNZKR-BLLLJJGKSA-N 444.379 5.325 30 20 IKED Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 735166077 YPCMTXUTMSLDBK-QGZVFWFLSA-N 448.906 5.805 30 20 IKED COc1cc(CNCc2cccc(-c3ccc(C#N)s3)c2)ccc1OCC(F)(F)F 740010545 FCNFFYSMBXXDRK-UHFFFAOYSA-N 432.467 5.526 30 20 IKED COc1ccc(/C=C/C(=O)c2sc(/C=C/c3ccc(OC)c(C#N)c3)nc2C)cc1C#N 741848521 NWXSOAWDDYYMEV-RIALUSDFSA-N 441.512 5.279 30 20 IKED O=C(/C=C\c1sc2ccccc2c1Cl)c1ccc(S(=O)(=O)CC(F)F)cc1 741851855 DYERGPRTYWTGOC-KTKRTIGZSA-N 426.893 5.490 30 20 IKED N#Cc1ccc(CN[C@@H](Cc2c(F)cccc2Cl)c2ccccc2Br)o1 742373321 KDZOVSZDBTWKAG-FQEVSTJZSA-N 433.708 5.780 30 20 IKED CCN(C(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 742575920 JTWSGRNUXOQBLW-SELNLUPBSA-N 435.568 5.370 30 20 IKED N#C[C@H](C(=O)CCCOc1cccc(Cl)c1Cl)C(=O)Nc1ccc(F)c(Cl)c1 743450331 ZRBRSEHVNFKOBM-GFCCVEGCSA-N 443.689 5.292 30 20 IKED CC(=NNc1ncnc2scc(-c3ccc(C)cc3)c12)c1cccc(N2CCOC2=O)c1 745592527 ZTWJGZXAAJZWOZ-UHFFFAOYSA-N 443.532 5.459 30 20 IKED O=C(/C=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1cccc(N2CCOC2=O)c1 745626902 UVNKUELGZDLSCV-WMZJFQQLSA-N 448.406 5.379 30 20 IKED C=C(C)COc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OC 747033123 DFIUMWLGLWXCAJ-UDWIEESQSA-N 427.547 5.065 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCC2CCN(CC(F)(F)F)CC2)cc1 748943475 UGNKASJEHUEDMG-QFIPXVFZSA-N 444.501 5.128 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc3cc(O)ccc3c2)cs1 749002594 LVWGXVCUXMDQAA-WQLSENKSSA-N 428.513 5.891 30 20 IKED N#C[C@@H](C(=O)CN(Cc1cc(F)ccc1F)C1CCCC1)c1nc2ccccc2s1 751502769 BNLITFMVHDLUPI-SFHVURJKSA-N 425.504 5.196 30 20 IKED Cc1ccc(N(CCC#N)C(=O)CNc2ccccc2C(=O)N(C)C2CCCCC2)cc1C 759769432 AOUPRPIXSGGIMB-UHFFFAOYSA-N 446.595 5.067 30 20 IKED C[C@@](O)(CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(F)cc1 759913821 MGCNLFHRSNKUMK-ZJSXRUAMSA-N 437.902 5.164 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)c3csc(-c4ccc(Cl)cc4Cl)n3)CCO2)c1 762303268 NCKBKTNUPCJFJO-LJQANCHMSA-N 444.343 5.202 30 20 IKED CCC(CC)(Cc1nc2ccccc2s1)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 762383554 JDIAVZPMGRQRSQ-NRFANRHFSA-N 433.577 5.117 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 763010891 JTHNNAYGPUNREB-QHCPKHFHSA-N 425.488 5.169 30 20 IKED COc1cc(C=NO[C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)ccc1OC(F)F 763168686 MEAQSJGEHKHFOC-CYBMUJFWSA-N 436.842 6.025 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N(c2ccc(F)c(Cl)c2)c2nccs2)cc1OC 764350496 MQVKEWVDFMGJEX-UITAMQMPSA-N 444.915 5.887 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)Cc1csc2nc(-c3ccccc3)cn12 766131289 PVCQUSMSFJLETJ-UHFFFAOYSA-N 437.908 5.135 30 20 IKED CN(Cc1cccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1)C(=O)OC(C)(C)C 767861729 AQLSDJMFCGLCNY-UHFFFAOYSA-N 446.551 5.246 30 20 IKED C=CCn1c(SCc2cc(=O)oc3cc(C)c(C)cc23)nnc1-c1cccc(OC)c1 768412484 XQBKVZCNAVDIDP-UHFFFAOYSA-N 433.533 5.155 30 20 IKED N#CCCn1cc(CN2CCCCC[C@H]2C[C@H](O)c2ccccc2)c(-c2ccccc2)n1 770289107 BTSQABULLXAHEF-UIOOFZCWSA-N 428.580 5.332 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(N2C(=O)CN(CCc3ccccc3)C2=O)cc1Cl 771818800 ONOCXMYQHZBEBI-JOCHJYFZSA-N 429.907 5.007 30 20 IKED Cc1noc(C)c1-c1csc(=Nc2ccccc2C#N)n1[C@@H](C)COCC(F)(F)F 771901913 DTTQEAAOEDOLIY-LBPRGKRZSA-N 436.459 5.065 30 20 IKED C#CCOc1ccccc1NC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 775446314 WKGNXWVNTRRBQR-UHFFFAOYSA-N 443.381 5.207 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 777993281 WNVCTUCIRLLGAN-UHFFFAOYSA-N 445.369 5.350 30 20 IKED N#CCOc1cc(F)ccc1NCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 779609715 UONVSBSDLSUNAR-UHFFFAOYSA-N 444.293 5.899 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 780304880 BIXOFQFUIXTQGZ-LJQANCHMSA-N 439.471 5.163 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)O[C@@H](Cc1ccc(F)cc1)C(F)(F)F 781757196 FKDGIHNTHQNPNA-BONVTDFDSA-N 440.359 5.022 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1scnc1C1CC1 782142256 GOJRQKYELVIUOS-UHFFFAOYSA-N 426.954 5.303 30 20 IKED CC(C)(C#N)CCCOC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 782286604 YUEAXDBKTKCPMA-UHFFFAOYSA-N 428.492 5.226 30 20 IKED CC(C)(C)OC(=O)N1CCc2c(ccc(NC(=O)C[C@@H](CC#N)c3ccccc3)c2F)C1 791226634 FGOSZNVOSOPJCL-GOSISDBHSA-N 437.515 5.145 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 797548449 DRUPXMVFUUMIRG-KRWDZBQOSA-N 449.297 5.293 30 20 IKED CC1=C(Br)CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 797622980 DASBTECBFFPNPR-UHFFFAOYSA-N 444.304 5.183 30 20 IKED N#Cc1cc(N[C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)ccc1N1CCC(O)CC1 799722612 LZGQDACHKNWPLL-YLJYHZDGSA-N 429.486 5.286 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(Cl)c2ncccc12 802043408 ZTZKNDWPFDGGHZ-IBGZPJMESA-N 441.874 5.642 30 20 IKED C=CC[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccccc1-c1ccc(Cl)cc1)c1ccncc1 805813552 KPOKPIKYAHLFAW-GAJHUEQPSA-N 433.939 5.013 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)C(C)(C)c2csc(-c3c(F)cccc3Cl)n2)n1 810606266 VFBUTLHLNGKKAR-LBPRGKRZSA-N 447.988 6.337 30 20 IKED C=C[C@@H](CC(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccccc1 814235601 RYWZQBCJMLEMIJ-QHCPKHFHSA-N 425.572 5.521 30 20 IKED Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915087551 VEEGSPAITKWNQD-QFIPXVFZSA-N 426.907 5.742 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccco2)C1=O)Nc1ccccc1 916212579 YRXLTCSQTKKJKW-IBGZPJMESA-N 439.924 5.094 30 20 IKED CCc1nc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2nc1CC 916928374 ZCAJPWKHDDNYHR-CQSZACIVSA-N 441.318 5.023 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1C1CCCCC1 916928531 NFFKWVZCPYISAG-SFHVURJKSA-N 432.351 5.878 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nc4ccccc4s3)o2)cc1 916948522 WJUYYONFZGLBDE-CRAIPNDOSA-N 443.528 6.031 30 20 IKED COc1ccc2c(ccn2CC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 917044361 SJTOQZQBIXVXKY-OAHLLOKOSA-N 429.423 5.155 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)o1 917119437 FQRJCTDFXVGTRC-DEOSSOPVSA-N 433.467 5.638 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2nc3ccccc3s2)cs1 917530495 JXBWQFDHZDRBOK-UHFFFAOYSA-N 427.942 5.537 30 20 IKED CCCC(=O)N1CCC[C@@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 918488549 BSXOKMBFAAEWRD-WMLDXEAASA-N 436.364 5.084 30 20 IKED COc1ccc2c(-c3ccccc3)c(C(=O)O[C@@H](C)C(=O)Nc3ccccc3C#N)oc2c1 920643726 HGLXFEMXPWVRQA-INIZCTEOSA-N 440.455 5.164 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(OC)cc3)cc2)CCC1 1786331476 OPVLXUONTDSACO-RPBOFIJWSA-N 444.575 5.126 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4cccs4)cc3)CCC2)cc1 1786949057 LUKQQQSDQWGVGN-UHFFFAOYSA-N 443.572 5.195 30 20 IKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc(C(C)C)on4)cc3)CCC2)c1 1787546600 OSJRAKQPEILCNX-UHFFFAOYSA-N 442.519 5.040 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)ccc3Cl)CCC2)cc1 1790567720 OYJHZGMRBLJKGQ-OAHLLOKOSA-N 445.922 5.028 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)COc3cccc(Cl)c3)CCC2)cc1 1791244411 RNIYJXUBMGFORR-KRWDZBQOSA-N 426.944 5.065 30 20 IKED C[C@@]1(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)CC1(F)F 1792247248 RWGSVBZVGMFJNU-NRFANRHFSA-N 443.881 5.005 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/Sc1ccc(C)cc1)C2 1798592492 KOXZDSQXFZTUQH-WBTGWBBHSA-N 426.626 5.231 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2CCC(F)(F)CC2)n[nH]1 1815017902 NIPKCRIYQOHDSV-SFHVURJKSA-N 436.547 5.220 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(C)ccc3[nH]2)n[nH]1 1818562945 WMVRMABSRJJKAZ-QHCPKHFHSA-N 445.567 5.274 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)nc2F)CC1 1823750557 NVLZMFROLRFQGL-IBGZPJMESA-N 449.998 5.100 30 20 IKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCCC(C)(C)C)CC1 1824511750 QKXIWFJOQQHEPQ-GMAHTHKFSA-N 434.665 5.194 30 20 IKED C=CC[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccccc2CSc2ccccc2)C1 1845475128 BRJNIFPPFQWBNX-FQEVSTJZSA-N 434.605 5.008 30 20 IKED Cc1ccc(N/C(S)=C(\C(=O)c2cc(C)sc2C)[n+]2ccc3c(c2)CCCC3)c(C)c1 10169001 PCBWTCWAMBDIHA-UHFFFAOYSA-O 449.665 6.199 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2cccc(CC)c2)cc1 14872122 JCAPREXBIYGDKB-UHFFFAOYSA-O 448.568 5.448 30 20 IKED C=CCN(C(=O)CSc1nncs1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 18975426 INNYALPCVUAEKO-UHFFFAOYSA-N 443.406 5.280 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccccc2F)n1C1CC1 21875698 VBUFSGXTFVEPKS-HNNXBMFYSA-N 442.585 5.176 30 20 IKED CC(C)(CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc2c(c1)OCO2 59013265 XXFSEIKBLYAQGW-UHFFFAOYSA-N 444.556 5.287 30 20 IKED CC(C)(C)OC(=O)NC1(c2nc(-c3cn(CCC#N)c4ccccc34)cs2)CCCC1 303297781 MGLXVGJWIRWSCZ-UHFFFAOYSA-N 436.581 5.972 30 20 IKED C[C@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@@H](c2ccccc2)O1 409789696 HALDCYUZUYOFBV-FNZWTVRRSA-N 441.531 5.326 30 20 IKED N#C[C@H](C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)c1nc2ccccc2n1C(F)F 430519689 LITLGDFNXCTKCM-GFCCVEGCSA-N 446.244 5.414 30 20 IKED CN(C[C@H](O)Cc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 432676335 FLTCKEKNBQUTTA-FYYLOGMGSA-N 433.939 5.063 30 20 IKED C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(Cc2cn(CCC#N)nc2-c2ccncc2)C1 435135156 MQPUPBMFQWJIOS-HTAPYJJXSA-N 439.485 5.461 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)N4CCC[C@@H]4[C@@H](C#N)c4ccccc4)cc3)o2)c1 436347860 UHRDRJCJUCDZCW-LOSJGSFVSA-N 448.526 5.624 30 20 IKED Cc1cccc2oc(CCNC(=O)c3ccccc3SCc3ccc(C#N)cc3)nc12 437368538 BCGLICREMVIHQC-UHFFFAOYSA-N 427.529 5.273 30 20 IKED Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 437919035 TUUGLPPUIJNZHY-UHFFFAOYSA-N 430.533 5.364 30 20 IKED N#CCC[C@@H](NC(=O)C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1 439455860 WHDRXRWRFIUTCW-HSZRJFAPSA-N 447.922 5.019 30 20 IKED CCSc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 440347930 JERNWHQORFFYCU-UHFFFAOYSA-N 447.516 5.048 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1cccc(OC(F)F)c1)c1ccc(C(F)(F)F)cc1 442029711 KAXSDAWMOOFTAS-KRWDZBQOSA-N 442.384 5.069 30 20 IKED N#Cc1cc(NC(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)ccc1OC(F)(F)F 442052648 GUMNOTOVCXDNKE-GFCCVEGCSA-N 448.376 5.149 30 20 IKED C=CCN(C(=O)c1ccc(C)c(NC(=O)NC(C)(C)C)c1)c1nc2c(s1)CCCC2 444453688 JQYWOMZQVFVYQM-UHFFFAOYSA-N 426.586 5.083 30 20 IKED Cc1ccc(-c2c(C)sc3nc(CN4CCC[C@]5(CCCCO5)[C@H]4C#N)nc(O)c23)cc1 447911677 FJKLWJMCXJZJLM-KBMIEXCESA-N 448.592 5.108 30 20 IKED N#Cc1ccc(NC(=O)c2ccccc2SCc2ccc(Br)cc2)cc1C#N 460118587 VQGNDBGTCTVNGO-UHFFFAOYSA-N 448.345 5.737 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1cccc(C(F)(F)F)c1 463586439 DQSAIUPDMRZUAI-UHFFFAOYSA-N 425.410 5.644 30 20 IKED Cc1nc(C(F)(F)F)sc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 463587873 HJYAPKQDEKGDDB-OAHLLOKOSA-N 435.858 6.032 30 20 IKED O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 464722939 BYJFOVPMZXMYNN-UHFFFAOYSA-N 431.311 5.230 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1cccc(F)c1)C1CCCC1 465412784 CNWXYJVJSYNHDO-ZHRRBRCNSA-N 439.556 5.064 30 20 IKED COCc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cnn1-c1ccccc1 466870833 CLZSRCATCWFAII-UHFFFAOYSA-N 438.487 5.243 30 20 IKED CCOc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c(C)c1 467099402 FTDYENSXOVFELR-UHFFFAOYSA-N 445.544 5.249 30 20 IKED C[C@@H](CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C(=O)c1cccc(F)c1 468596965 OCAPOKACFFUAKS-SFHVURJKSA-N 432.470 5.274 30 20 IKED COc1ccccc1COc1cccc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)c1C 468788288 BMIDYQYJOHKWKM-UHFFFAOYSA-N 439.471 5.362 30 20 IKED C=CCC[C@H](NC(=O)c1ccnc(O)c1Br)c1ccc(C(F)(F)F)cc1 469691685 RZMAHBAIRTXDKT-AWEZNQCLSA-N 429.236 5.006 30 20 IKED COc1cccc(C=C2CCN(CC(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)c1 473024894 UKVYTVDIMIJXIN-LJQANCHMSA-N 435.593 5.065 30 20 IKED CO[C@H]1CCC[C@@H](CC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)C1 474948039 ATXSPEBPCIJYTH-CJNGLKHVSA-N 437.487 5.158 30 20 IKED CN(C(=O)c1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1Cl)C1CCCCC1 474962713 CYWMIFBBXLDQJH-IBGZPJMESA-N 437.971 5.771 30 20 IKED C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)C[C@H](CC#N)c1ccccc1 475644524 LSIBXLRISOYWSC-ZJTDPSCFSA-N 429.383 5.436 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 476872647 LUFDPMZGSHZZAZ-UHFFFAOYSA-N 434.311 5.242 30 20 IKED CC(C)(C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)C1CCOCC1 479728437 HFOLMCMZGOAVBU-UHFFFAOYSA-N 437.487 5.016 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(F)c(OC)cc1C 481708681 YXVNDQKOSUNRDJ-UHFFFAOYSA-N 425.273 5.264 30 20 IKED CSc1nc(C2CC2)cc(-c2nc(-c3cccc(OCc4cccnc4)c3)no2)c1C#N 481929993 YNNPBSOJPZTXQN-UHFFFAOYSA-N 441.516 5.244 30 20 IKED N#Cc1ccc(SCC(=O)Nc2sc3c(c2-c2nc4ccccc4[nH]2)CCCC3)cc1 482217577 VJIXMNUDBQUOBP-UHFFFAOYSA-N 444.585 5.773 30 20 IKED C[C@H](c1cc(F)ccc1F)N(C)C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482457143 SDDSOGXOWXQEQA-QLJPJBMISA-N 438.343 5.572 30 20 IKED Cc1ccc(-n2ncc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c2C(C)C)cc1 484805519 HIXLAUFOBYRVLR-ISKFKSNPSA-N 427.552 5.608 30 20 IKED COC(=O)c1c(F)ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1F 485155922 BPJACLSYNUGUJP-UHFFFAOYSA-N 442.805 5.321 30 20 IKED O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1C(F)(F)F 487472271 FQLYHCRKFZGILB-UHFFFAOYSA-N 448.382 5.258 30 20 IKED COc1cccc2c1CCN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1C)CC2 488382021 UQYNSCHSZFLXJK-UHFFFAOYSA-N 427.504 5.300 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1SCc1csc(COc2ccc(F)cc2)n1 488725182 AEPPUYJTKPZDEE-UHFFFAOYSA-N 425.432 5.439 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1ccc(C)cc1Cl 489662739 UKEZTCYDPIBKBU-INIZCTEOSA-N 442.972 5.124 30 20 IKED C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 492629380 KFWAFIGKOGRORK-NSHDSACASA-N 440.830 5.420 30 20 IKED Cc1ccc(C[C@H](C#N)Sc2nnc(-c3c[nH]c4ccccc34)n2C[C@H]2CCCO2)cc1 494102964 FKNKQYMIAHWBFG-WOJBJXKFSA-N 443.576 5.141 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)c1C 501860074 FRISZPICCFTQHE-UHFFFAOYSA-N 449.555 5.075 30 20 IKED C=CCN(Cc1nnc(-c2ccc(Cl)cc2)o1)Cc1cc(Br)ccc1F 502183189 BGCVWYILCFSWRD-UHFFFAOYSA-N 436.712 5.480 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c12 503893101 PODUQJPTNVDUNO-UHFFFAOYSA-N 439.563 5.173 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)s2)cc1 504743334 VMSCQSLECZSETJ-UHFFFAOYSA-N 447.560 5.073 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Br)cc1)c1nc(-c2c(F)cccc2F)cs1 505752249 ZLFIDJBJXICMKL-LBPRGKRZSA-N 434.265 5.097 30 20 IKED Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)s1 507902806 OJHRKKNYFMKOJJ-UHFFFAOYSA-N 446.528 5.671 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 508269893 VQLGZMDYZRJYDP-UHFFFAOYSA-N 438.487 5.431 30 20 IKED C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(c2nc3ccccc3[nH]2)CC1 508736223 ZFZGSISIERDUJO-UHFFFAOYSA-N 449.562 5.248 30 20 IKED CCOc1ccc(Br)cc1CN(C(=O)N[C@H](C)c1ccc(C#N)cc1)C1CC1 509222891 FBWMDIIFOAKSFX-OAHLLOKOSA-N 442.357 5.155 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2cccc(NC(=O)C3CCC3)c2)cc1 510506231 OBMFAZPTVGAFKX-UHFFFAOYSA-N 440.503 5.411 30 20 IKED COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CCC3)cc1 511738298 PSTQLYKXSJVVPY-NRFANRHFSA-N 449.551 5.301 30 20 IKED Cc1ccc(OCc2cccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c2)cn1 512982627 YKECBMGOGOUQTI-IBGZPJMESA-N 433.920 5.722 30 20 IKED C=CCn1c(SCc2csc(-c3ccc(OCC)cc3)n2)nc2sccc2c1=O 514587184 KGFKASJEMREDEK-UHFFFAOYSA-N 441.603 5.459 30 20 IKED COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1 515597245 DBMMLONBIQARNE-GOSISDBHSA-N 429.388 5.027 30 20 IKED CN(Cc1csc2ccccc12)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 516292652 SCDHJEFGOHORAL-UHFFFAOYSA-N 441.512 5.162 30 20 IKED N#C[C@@H](C(=O)c1ccc(CSc2ccccc2)cc1)c1nc(-c2ccncc2)cs1 516767576 HCGCRUAFLXDYQJ-NRFANRHFSA-N 427.554 5.987 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 517461229 FVKYUTXVABUFRP-MRXNPFEDSA-N 449.557 6.250 30 20 IKED Cc1ccc(-n2nnc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2C)cc1 518175114 SFBFRMBCRHZFKD-GOSISDBHSA-N 433.924 5.151 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccccc1SC[C@H](C)C#N)O[C@H](C)C2 519424797 IPPYXLXFKQXJSJ-HBXLWWENSA-N 436.577 5.403 30 20 IKED Cc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 519989229 JBAUCCXJJLSDCR-UHFFFAOYSA-N 428.492 5.070 30 20 IKED COc1ccc(Br)cc1[C@H]1CCCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 522957135 ALACENUAFIQBFK-LJQANCHMSA-N 442.357 5.628 30 20 IKED CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 523556758 LWVYWUNYZQJBSO-UPVQGACJSA-N 432.955 6.396 30 20 IKED N#C[C@H](C(=O)c1csc(-c2c(F)cccc2F)n1)c1nc2cc(Cl)ccc2s1 523959606 YZGMQHWBNJORKU-SNVBAGLBSA-N 431.876 5.841 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccn(-c4ccc(F)cc4)n3)cc2Cl)c1 524389743 ZRNVVHAJXZHGAM-UHFFFAOYSA-N 446.869 5.368 30 20 IKED N#C[C@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)c1ccc(OC(F)(F)F)cc1 530876984 WVYOCZUXNDSZPZ-AWEZNQCLSA-N 428.197 5.368 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)CCC(=O)N1CCSc2ccccc21 531028314 XUZJREVZESFLGB-UHFFFAOYSA-N 433.558 5.144 30 20 IKED N#C[C@H](NC(=O)CCCCc1nc2ccccc2s1)c1ccc(OC(F)(F)F)cc1 531354433 JSUBTMHSGNWTOR-KRWDZBQOSA-N 433.455 5.289 30 20 IKED C=CCNC(=O)Nc1ccc(NCc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)cc1 532358710 XJUIAOGSYLAART-UHFFFAOYSA-N 433.556 5.233 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 536115445 PQDDFIVQALBLDL-UHFFFAOYSA-N 440.459 5.016 30 20 IKED CC(=O)c1ccc(Oc2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)cc1 536316112 IIZBBJBHUWPCNW-KRWDZBQOSA-N 430.529 6.186 30 20 IKED CC(C)[C@H]1C[C@@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCO1 536818230 UXZJIOOXJIETDA-SIKLNZKXSA-N 427.932 5.116 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 538082055 MFFAHMIRFKYDJG-UHFFFAOYSA-N 436.471 5.392 30 20 IKED Cc1nc(-c2cc3c(s2)CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C3)cs1 539027417 CCROWBGWUOUJMJ-UHFFFAOYSA-N 446.504 5.243 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)c1 539138012 UXWHJMRCVOXAMD-UHFFFAOYSA-N 430.470 5.532 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C 539424557 MOXIUXSMYXMZCZ-ZYFHCTRVSA-N 428.001 5.517 30 20 IKED Cc1nc([C@H](NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2F)no1 539514908 HEPWTHADPIUQRU-MRXNPFEDSA-N 433.327 5.434 30 20 IKED COc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)cc1 541097636 BVUNKRYPNXBNJL-NRFANRHFSA-N 433.487 5.041 30 20 IKED C[C@@H](NC(=O)Nc1ccccc1C(=O)N1CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 541993804 ZIGIXGPXACEHKV-LJQANCHMSA-N 438.531 5.344 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@H]3c3cccc4ccccc34)n2)c(F)c1 542034138 VYANDOLMGRGZMT-QFIPXVFZSA-N 425.467 5.405 30 20 IKED Cc1ccc(C)c(Oc2ccc(CNC(=O)N(Cc3ccc(C#N)cc3)C3CC3)cn2)c1 542420640 FBKPSXCMGUBHDT-UHFFFAOYSA-N 426.520 5.237 30 20 IKED C[C@H](NCCC(C#N)(c1ccccc1)c1ccccc1)C1CCN(CC(F)(F)F)CC1 551045780 XCFUAGVBWTYOKG-FQEVSTJZSA-N 429.530 5.139 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Oc2ccc(OCC)cc2)cc1 554345278 FZLJEMDVVOZFOB-UHFFFAOYSA-N 436.508 5.573 30 20 IKED Cc1c(C#N)c(NC(=O)CCN2CC[C@@H]2c2ccc(Cl)cc2)n(Cc2ccco2)c1C 556829930 NOZRELBIAUDWCH-JOCHJYFZSA-N 436.943 5.047 30 20 IKED N#CCCn1cc(CN(Cc2cccc(-c3cccnc3)c2)C2CC2)c(-c2ccccc2)n1 556908493 RSTHQJYBUJCWQO-UHFFFAOYSA-N 433.559 5.690 30 20 IKED Cn1nccc1[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 558746489 GOZPBNWUFQDPTB-QGZVFWFLSA-N 435.915 5.149 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](c1ccccn1)c1ccccc1OC 559990897 XYZFHFQAMCVBPS-NRFANRHFSA-N 427.957 5.292 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(Nc4ccccc4)c3)n2)cc1 564381872 QSQPKXHDBBXIDW-JOCHJYFZSA-N 425.513 6.052 30 20 IKED CC1(C)CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)Cc2ccccc2O1 567369694 OMOGGIKJTCNSLV-UHFFFAOYSA-N 441.531 5.537 30 20 IKED COC(C)(C)c1nc(C)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)s1 571128217 ODMZUEKKPCLVKC-UHFFFAOYSA-N 441.940 5.903 30 20 IKED COCc1ncsc1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 571229179 DQBJHYXIHXSYSK-UHFFFAOYSA-N 433.411 5.225 30 20 IKED C=CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]1c1csc(C)n1 571328119 CLPDUCAEWGRPPO-CYBMUJFWSA-N 436.404 5.062 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CCC(C#N)(c1ccccc1)c1ccccc1 571464636 AOMHRAHMEGOABK-UHFFFAOYSA-N 437.930 5.735 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H](c2c(Cl)cccc2Cl)C2CC2)cc1 577150134 IJVNHYWCPOUBAC-LJQANCHMSA-N 430.335 5.001 30 20 IKED C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(Br)cc1Br 577420661 ZRDKCQXBHMYNGF-KUHUBIRLSA-N 436.191 6.297 30 20 IKED C=CCn1c(CCc2ccco2)nnc1N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 578229828 OHMKXBCBBVHZQD-FQEVSTJZSA-N 444.583 5.157 30 20 IKED CSCC[C@@](C)(C#N)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 589018838 HIFCOTLVCXNPCJ-IBGZPJMESA-N 435.958 5.165 30 20 IKED N#Cc1ccc(OCc2nnc(N3CCC[C@H]3c3ccsc3)n2Cc2ccccc2)cc1 589640725 ZGJBOXFCEGDGNL-QHCPKHFHSA-N 441.560 5.180 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)cc1 603708408 GYHGEYHZRMJDKE-DEOSSOPVSA-N 437.499 5.078 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(OCc2cccs2)c1 603739162 WGWPLCMYQJBHLT-UHFFFAOYSA-N 441.512 5.947 30 20 IKED C[C@H](Sc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)Nc1sc2c(c1C#N)CCC2 603938276 SLLSFZUDWJYXEO-VIFPVBQESA-N 436.484 5.123 30 20 IKED N#C[C@H](C(=O)c1oc2ccccc2c1CSCc1ccccc1)c1nc2ccccc2o1 603940195 UBYHKWYRDHCCSZ-LJQANCHMSA-N 438.508 6.497 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1sc2c(c1C#N)CCCCCC2 603996139 BUDJUOSOAWZTLT-UHFFFAOYSA-N 439.562 5.746 30 20 IKED CC1(C)Cc2cccc(OCC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c2O1 604003900 QXNFDEAYFOHEOK-UHFFFAOYSA-N 442.515 5.063 30 20 IKED COc1ccc(CC2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)CC2)cc1 604554536 KAWGTVLCGSHKGG-UHFFFAOYSA-N 442.519 5.241 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 608966602 RPZHSEUWHGPOIA-QHCPKHFHSA-N 437.326 5.746 30 20 IKED CCN(Cc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1)C1CC1 609064583 GNHSXYVWCYEVNK-UHFFFAOYSA-N 425.532 5.374 30 20 IKED Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 609298133 ICDQISWSZJIWDE-UHFFFAOYSA-N 440.434 5.633 30 20 IKED N#CCCn1cc(/C=C\c2nc(-c3cccnc3Oc3ccccc3)no2)c2ccccc21 609475373 VKLPHPFFURYYTE-YPKPFQOOSA-N 433.471 5.963 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)NCCCCCOC3CCCCC3)s2)cc1 609546077 RDADBBYYAJYRGY-UHFFFAOYSA-N 426.586 5.247 30 20 IKED C[C@H](c1ccccc1)N1CCC(NC(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 609696078 CJIVQLHSEIYVCK-OAQYLSRUSA-N 439.559 5.093 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1OC 609989998 DJGQSRKQWGYTIJ-QHCPKHFHSA-N 427.504 5.296 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)c1C 610053689 IGGOIBJALOJTLM-AWEZNQCLSA-N 429.307 5.074 30 20 IKED COc1ccc([C@@H](NC(=O)N2CCC[C@](C)(C#N)C2)c2ccc(C(F)(F)F)cc2)cc1 612378760 SBUAOVNVSLKMBJ-RBBKRZOGSA-N 431.458 5.139 30 20 IKED COc1cccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1OC(F)F 613404112 JUYCWUIIBUYYTB-LLVKDONJSA-N 442.365 5.415 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)N[C@H]1CCc2cc(C#N)ccc21 618807037 SPJDRUNAGWFWBD-RBZFPXEDSA-N 438.394 6.091 30 20 IKED O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 674646463 CQDFZGRAPNDJMV-KKOKHZNYSA-N 428.339 5.127 30 20 IKED CC1(C)C[C@H](NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ccc(F)cc2O1 675878689 CXPBSGVNJOOCLR-WDMOLILDSA-N 442.375 5.200 30 20 IKED CC(C)[C@H](NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F)C(F)(F)F 682587082 MWXBFRVWNFAFRB-NSHDSACASA-N 447.301 5.227 30 20 IKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(C)c(C)c2)cc1 726571095 DLJCARNAHICXIE-UHFFFAOYSA-O 448.999 6.002 30 20 IKED CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(Cl)c(C(F)(F)F)c1 727254587 YAEJVLWMSRAEBK-UHFFFAOYSA-N 426.851 5.187 30 20 IKED C[C@@H](OC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1cccc(C#N)c1 727639059 FJIKMZLLACGKID-CYBMUJFWSA-N 437.849 5.146 30 20 IKED O=C(COc1ccc(C(=O)/C=C/c2nc(-c3ccccc3)cs2)cc1)Nc1ccccc1 727974138 GKQRBLVGOLFDKT-FOCLMDBBSA-N 440.524 5.724 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(SC(C)C)cc2)cs1 728441112 DEXMMENIGBHNJE-MDWZMJQESA-N 440.565 6.363 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1 731064508 YAAWUGNDUVCWGX-GOSISDBHSA-N 446.528 5.669 30 20 IKED COCC(=O)Nc1ccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 733623478 NIQXISZAFRFJAI-NRFANRHFSA-N 448.910 5.224 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)C2(c3cccc(Br)c3)CCCC2)c1 733770989 ODSHCFOXFFMVHP-FQEVSTJZSA-N 441.369 5.258 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2sc(-c3cccc(Cl)c3)nc2C)c1 733772741 GOYMRGZCIJWWAK-SFHVURJKSA-N 425.941 5.383 30 20 IKED C=CC[C@H](NC(=O)c1ccc(COc2ccccc2Br)cc1)c1ccncc1 734461209 XHGZBSPENUGECM-NRFANRHFSA-N 437.337 5.470 30 20 IKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C(C)(C)C)cc2)NC1=O 736640435 DHJLEPBEFLHQST-FQEVSTJZSA-N 439.581 5.021 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](CCO)c3cccs3)cc2Cl)cc1 741062308 NCXKPGXPDHOXBX-GOSISDBHSA-N 427.913 5.311 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1C(F)(F)F 744075743 VUOMDEGLUMXLEN-WCQYABFASA-N 436.405 6.087 30 20 IKED COc1cc(C=NNc2ncnc3c2oc2ccccc23)ccc1OCc1c(C)noc1C 744788647 TVOLXSPGMJSQSE-UHFFFAOYSA-N 443.463 5.014 30 20 IKED Cc1nc2sccc2c(=O)n1N=Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1 745986960 UOYPUJWOGFIMJP-UHFFFAOYSA-N 429.423 5.460 30 20 IKED C=CCn1c(-c2cccc(C)c2)nn(CN(C)Cc2nc(C(F)(F)F)cs2)c1=S 746383771 AFXOAKRZKGXSMB-UHFFFAOYSA-N 439.532 5.140 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCCc1ccc(Br)s1 747107943 JWLHTGIAIQTIKA-QGZVFWFLSA-N 447.398 5.306 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1Br 747108434 PHIVEKMPSSUQLK-SFHVURJKSA-N 449.304 5.511 30 20 IKED C[C@H](OC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1nc(O)c2ccccc2n1 748236428 VQOQJWMNRRHRDL-HNNXBMFYSA-N 427.485 5.276 30 20 IKED CC(=NNc1ncnc2scc(-c3ccc(F)cc3)c12)c1cnn(-c2ccccn2)c1C 748245318 ZYNHWKYFLGOYFJ-UHFFFAOYSA-N 443.511 5.223 30 20 IKED N#Cc1ccc(/C=C(\Cl)c2nc(O)c3c(-c4ccccc4Cl)csc3n2)s1 748998094 JVDHOSPNUPSTDH-CHHVJCJISA-N 430.341 6.387 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)cc1 755774539 DDJBSOHINKMBNQ-LEWJYISDSA-N 432.474 5.021 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OC[C@@H](C#N)Cc1cccs1 772735811 MAEATSVRYIJYKN-LSDHHAIUSA-N 446.981 5.604 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)ccc1OC 772978033 DKURXVKTAXNZJH-DYESRHJHSA-N 435.593 5.967 30 20 IKED Cc1ccc2nc(-c3cccnc3)cc(C(=O)O[C@H](C#N)Cc3ccc(F)cc3F)c2c1 774310684 QNAQDZAOGASEJY-IBGZPJMESA-N 429.426 5.175 30 20 IKED CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 775481774 SWWZFUCBNKUGQJ-QFIPXVFZSA-N 431.517 6.003 30 20 IKED COc1cc(CN(C)C(=O)Nc2ccccc2O[C@@H](C)C#N)ccc1OCc1ccccc1 780674899 IUPBTLQICRLEJW-IBGZPJMESA-N 445.519 5.229 30 20 IKED C#CCN(C(=O)Nc1cc2[nH]ccc2cc1C)[C@@H]1CCOc2ccc(Br)cc21 782088666 SZIBXBJCOFOZAL-HXUWFJFHSA-N 438.325 5.230 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nn1C1CCCCC1 787047119 ASXJYIXKIHXNIV-KBXCAEBGSA-N 447.366 5.203 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)c1cccc([C@@H]2CCCOC2)c1)c1ccc(Cl)cc1Cl 787048240 FQHWBQWVGWDYLQ-JNAXZKDPSA-N 445.346 5.087 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(OC(=O)C[C@@H](CC#N)c2ccccc2)cc1 796735347 ZWNXSWPJEWTNJO-HXUWFJFHSA-N 432.907 5.610 30 20 IKED N#Cc1ccc(N2CCC(C(=O)O[C@@H](c3ccc(Cl)cc3)c3cccnc3)CC2)c(F)c1 796994317 FPXMJVHQWNABPH-DEOSSOPVSA-N 449.913 5.295 30 20 IKED CCN(C(C)=O)c1nc(/C=C(/C(=O)c2nc3ccccc3s2)c2ccccc2)cs1 797152652 HTQNJYKDENPYIR-QGOAFFKASA-N 433.558 5.549 30 20 IKED N#CC1(CCCOC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)CCOCC1 800080127 QSBHIOSTJRSWQN-QHCPKHFHSA-N 443.996 5.806 30 20 IKED C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 809888282 SSFBVPKNTFBFJC-GHTZIAJQSA-N 428.367 5.008 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)s1 810824201 UETSMYXZBIKXRM-AWEZNQCLSA-N 445.560 5.996 30 20 IKED CC(=O)N1C/C(=C\c2cc(C(F)(F)F)ccc2Br)C(=O)c2ccccc2C1 811694485 SKWKFPQMOLQOIT-OVCLIPMQSA-N 438.243 5.096 30 20 IKED C#C[C@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccc(Cl)cc1 812351985 CKRBDENGZDPWPW-KRWDZBQOSA-N 429.328 5.412 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)N[C@H](CCCC#N)c2ccccc2)c1 814640429 GGTRZBVAFPLVHD-LJQANCHMSA-N 426.492 5.729 30 20 IKED COCCOc1c(Cl)cc(NCc2cc(C#N)ccc2Br)cc1Cl 864023407 KQPUQCONXKJVES-UHFFFAOYSA-N 430.129 5.265 30 20 IKED FC(F)(F)c1cccc(NC(=S)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 914707722 ZCGQVGYHQHCVRH-UWVGGRQHSA-N 438.359 5.901 30 20 IKED N#CCc1ccc(NC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)cc1 916163670 KMCPOTVPVMRBLT-UHFFFAOYSA-N 434.293 5.020 30 20 IKED Cn1c2ccccc2c2cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)sc21 916928426 KTWZUYSKOMXCOG-AWEZNQCLSA-N 442.327 5.661 30 20 IKED CC(C)(C)c1noc(CCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)n1 916976890 WIYTWODVKYCKRI-HNNXBMFYSA-N 428.945 5.343 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NN[C@@H](C)c2ccc(C(C)C)cc2)cs1 917553074 XACUGKXZPWTREK-INIZCTEOSA-N 441.000 6.289 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ccccc1SCc1ccccc1 918462838 MZARHFQCBIAGMS-UHFFFAOYSA-N 446.572 5.141 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccccc3C(F)(F)F)n2)cc1 920139858 ZOCSNYRASPTCPX-OAHLLOKOSA-N 432.423 5.093 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4n[nH]cc4c3)CCC2)cc1 1786103541 MBEGDDYNLAWZMF-UHFFFAOYSA-N 428.536 5.079 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3c(C(F)(F)F)coc3C)cc2)CCC1 1788789491 BWFYMGNNOQOAJX-UHFFFAOYSA-N 446.469 5.548 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4c3cnn4C)CCC2)cc1 1789453939 ISODQIFMFZZFIQ-OAQYLSRUSA-N 442.563 5.089 30 20 IKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc(C(C)C)no4)cc3)CCC2)c1 1790162443 RVKINHMTJXEEBT-UHFFFAOYSA-N 442.519 5.040 30 20 IKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)CCCC(F)(F)F)CCC3)cc2)c1 1790761825 FBTABNYKOPWUOZ-UHFFFAOYSA-N 447.432 5.178 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2csc(C)c2C)[C@@H]1c1cccnc1 1802495983 HPWLQQQYVVXZKO-IFMALSPDSA-N 439.625 5.072 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)s2)[C@@H]1c1cccnc1 1810494612 FRABHYNWKLQKHP-FXAWDEMLSA-N 446.016 5.109 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sccc2Cl)[nH]n1 1819307729 MQNQZNKETGZIET-PBHICJAKSA-N 432.977 5.199 30 20 IKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)c(F)c2)n[nH]1 1820237673 BOKMGWFYVBQKKY-QFIPXVFZSA-N 432.499 5.098 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(C)C)cc2)n[nH]1 1820592951 YFWLBULNSPXYSZ-IBGZPJMESA-N 430.499 5.050 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[nH]n1 1821921518 SUCPHKVJTLWDKL-WZONZLPQSA-N 445.567 5.231 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sccc2Cl)CC1 1824144056 XMVLVKPRRMQRTH-FQEVSTJZSA-N 435.033 5.403 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(C(C)(C)C)c2)CC1 1828822037 DJQIEJMHHIMFQY-DHIUTWEWSA-N 439.644 5.314 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1829072296 WTZDIJFFXPKNHI-SQJMNOBHSA-N 449.639 5.539 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sccc2Cl)CC1 1829447783 DGCFXFHTSBAIJT-ICSRJNTNSA-N 435.033 5.403 30 20 IKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 1831780245 QXAAZTIVJLMSFU-QHCPKHFHSA-N 443.031 5.348 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 1831789589 XUOOYCVKXZFHQI-POTDNYQPSA-N 434.624 5.178 30 20 IKED Cc1cccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(N(C)C)cc2)c1 10167487 CRJNQRBTHSYEIM-UHFFFAOYSA-O 432.613 5.523 30 20 IKED Cc1ccc(N/C(S)=C(\C(=O)c2cc(C)n(C)c2C)[n+]2ccc3c(c2)CCCC3)c(C)c1 10168710 KVJHJPBNGCIQHW-UHFFFAOYSA-O 446.640 5.476 30 20 IKED Cc1cc(C)c(N/C(S)=C(\C(=O)c2cc(C)n(C)c2C)[n+]2cccc(C)c2)c(Cl)c1 10178727 QDHWVZRDCHDPMY-UHFFFAOYSA-O 441.020 5.559 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(\S)Nc2ccc(Cl)cc2)[n+]2ccc(N(C)C)cc2)c1 10832505 XKCPHPIVUWNBBF-UHFFFAOYSA-O 439.004 5.361 30 20 IKED CC(C)c1ccc(-n2c(N/N=C3/C(O)=Nc4ccc(F)cc43)nc3ccccc3c2=O)cc1 19334096 IKFVVZKUZYYJMQ-UHFFFAOYSA-N 441.466 5.066 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2ncnc3sc4c(c23)CCC4)c1 23405929 SZKIECBOSXEBPE-MRXNPFEDSA-N 436.606 5.224 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 64240562 QRKVOTHCJSFXDF-UHFFFAOYSA-N 437.547 5.078 30 20 IKED Cc1ccccc1-n1ncc(/C(O)=N/c2nc(-c3ccccc3Cl)n[nH]2)c1C(F)(F)F 97576521 FIQLBJYLJAIPQM-UHFFFAOYSA-N 446.820 5.274 30 20 IKED CCc1cc(C#N)c(NC(=O)c2ccc(COc3cccc(Br)c3)o2)s1 108397619 MMMBJRRPHMPFSM-UHFFFAOYSA-N 431.311 5.369 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CSc2nc(-c3ccc(F)cc3)cs2)c1C 195675243 DLGNFOGUFMTDMP-UHFFFAOYSA-N 425.554 5.605 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)nnc1-c1cccc(C)c1 195678418 YJXHWKQIEYCISG-SFHVURJKSA-N 446.576 5.497 30 20 IKED COc1cc(CN[C@@H](C)c2cccc(C#N)c2)ccc1OCCOc1ccccc1Cl 237168944 BTAZFGRQZSVHOU-SFHVURJKSA-N 436.939 5.529 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N[C@@H](c2ccccc2)c2nccs2)c1 303174856 HFKXVGQSQPMTRA-QHCPKHFHSA-N 425.513 5.113 30 20 IKED N#CCCn1ncc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1-c1ccccc1 428217885 LHDBCBPPXOROKO-UHFFFAOYSA-N 447.498 5.167 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cc(F)c(O)c(Cl)c1 436543882 JTFYUQDBPNWZFR-ZDUSSCGKSA-N 429.719 5.627 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)nnn1-c1ccccc1Cl 437463314 ZRJSKUHJOCSCDE-UHFFFAOYSA-N 447.857 5.285 30 20 IKED CC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 437894109 FWBZWIPMPRRTNZ-DEOSSOPVSA-N 427.548 5.817 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H]([C@@H]4CCOC4)C3)cc2Cl)c1 439400928 XUYSAKNQJFUDMN-VQTJNVASSA-N 439.943 5.071 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)N2CCSc3ccccc32)cc1 439570651 MDGLCZMIORBEIA-QGZVFWFLSA-N 445.544 5.298 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc1 444498254 YNHDFZBWWQTVQW-PGRDOPGGSA-N 448.510 5.064 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2cc(Br)ccc2Cl)c1C#N 445556989 JBIBFRJEGZQKDX-UHFFFAOYSA-N 447.745 5.134 30 20 IKED CC[C@H](N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)c1ccc(C#N)cc1 447579946 MQIABNOMNNHPDP-ZEQRLZLVSA-N 440.515 5.070 30 20 IKED CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)C1 460331232 QFJCZOGNKVCFCO-NQIIRXRSSA-N 437.971 5.030 30 20 IKED COc1ccc([C@H](Cc2ccccc2C)NC(=O)[C@@H](C)c2cccc(C#N)c2)cc1OC 461992124 RGXSGPUVBMINQW-CYFREDJKSA-N 428.532 5.088 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cccc(-c4noc(C5CC5)n4)c3)c2)c1 463391872 MMLHBXUWDNDDHO-UHFFFAOYSA-N 436.471 5.317 30 20 IKED C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 463598035 OFNPEEQDORWNEE-UHFFFAOYSA-N 426.856 5.011 30 20 IKED N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1cc(C(F)(F)F)ccn1 464459955 JYJOBGCZKPHXPA-GOSISDBHSA-N 428.797 5.475 30 20 IKED CCn1c(SCCCSCC#N)nnc1-c1cc(-c2ccccc2)nc2ccccc12 466625409 LSLHZCZKETTWCC-UHFFFAOYSA-N 445.617 5.919 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@H]3CCCC[C@@H]3c3ccccc3)ccc21 470538880 SWLQISHIRTUONB-PKTZIBPZSA-N 430.552 5.117 30 20 IKED COC(=O)c1nc([C@H]2CCCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)sc1C 471271695 CRDQYTFCXKQTCL-CZUORRHYSA-N 444.582 5.001 30 20 IKED Cc1cccc(NC(=O)C(=O)NCc2ccccc2-c2ccc(Cl)cc2Cl)c1C#N 473353042 UKDCSKBAGSXKAG-UHFFFAOYSA-N 438.314 5.095 30 20 IKED COc1cccc(C(=O)c2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)c1 473583254 PFAJFWHEBLWHRE-KRWDZBQOSA-N 430.529 5.430 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 473628307 JISLAKRCJUQTJD-HFZDXXHNSA-N 448.636 5.458 30 20 IKED CSc1ccc(CSCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 478733574 MDBBXFUKZDRADT-UHFFFAOYSA-N 425.579 5.212 30 20 IKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)C1(c2cccc(C#N)c2)CC1 479575412 CKYLGDXNTIERGX-UHFFFAOYSA-N 446.572 5.288 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(Cc3ccc(F)cc3)no2)nnc1-c1ccc(C)cc1 481360200 RVYKLEUMWQDPLK-INIZCTEOSA-N 435.528 5.406 30 20 IKED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)cc1 483448119 PHOFIHQVCBJAPN-BTYIYWSLSA-N 445.972 5.079 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1Br)c1ccc(F)cc1C(F)(F)F 484801948 FVHQDGQUOZRXME-UHFFFAOYSA-N 430.117 5.878 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCCC4(CCOCC4)C3)cc2Cl)cc1 488350859 GVCKOTJZNJMGPU-UHFFFAOYSA-N 425.916 5.428 30 20 IKED CCN(C(=O)CSc1ccc(C#N)cc1)[C@H](c1ccc(C(C)C)cc1)c1cccnc1 496512104 CRYKWFKWZFAZNH-AREMUKBSSA-N 429.589 5.807 30 20 IKED N#C[C@@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)c1ccc(Br)cc1 499391599 BSYOXUKNFBWNLA-QGZVFWFLSA-N 446.757 5.150 30 20 IKED COc1cc(Br)ccc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 499454746 QJCWEBBYKWECDU-UHFFFAOYSA-N 437.293 5.161 30 20 IKED N#CCCCCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 505092430 IUHFBKONTMHSJV-HTXNQAPBSA-N 440.503 5.444 30 20 IKED N#Cc1ccccc1N1CCCN(C(=O)c2ccc(-c3cccc4cccnc34)cc2)CC1 506478861 BVDGYAKJGFPHRU-UHFFFAOYSA-N 432.527 5.126 30 20 IKED O=C(Cn1c(C(F)(F)F)nc2ccccc21)N[C@H](CC(F)(F)F)c1ccc(F)cc1 509333375 YHNYVUHHOWJMGL-CQSZACIVSA-N 433.327 5.004 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)cc1 509682264 FYVJTQQZRBYRDE-FQEVSTJZSA-N 431.517 5.045 30 20 IKED N#Cc1c(NC(=O)c2cccc(NC(=O)c3ccco3)c2)sc2c1-c1ccccc1CC2 511084598 DFJKLHKMSZUNHC-UHFFFAOYSA-N 439.496 5.483 30 20 IKED CC(C)Oc1cccc([C@@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 511414001 JMMPEEMIZUUUMW-HXUWFJFHSA-N 443.547 6.002 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 513166225 PHMJXJDRMKFYIB-INIZCTEOSA-N 432.833 5.106 30 20 IKED CCCn1c(S[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nnc1-c1cccc(C)c1 514955369 VKYQTFFRQHFFJU-ZIYFGUEUSA-N 439.629 5.075 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)cc2)c1 515157961 UCVQUKRYZRZWAQ-TWJOJJKGSA-N 439.515 5.387 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 517530395 TVDUVBAUTMRLAI-SFHVURJKSA-N 443.016 5.474 30 20 IKED C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 518905366 UXUWMHRKKLEJDF-GBXCKJPGSA-N 425.532 5.110 30 20 IKED CCCC(=O)Nc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 520600902 UHKPTLSMOAPMBR-UHFFFAOYSA-N 428.492 5.411 30 20 IKED C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 521263910 PSWIVVJARJCFIT-UHOFOFEASA-N 437.471 5.173 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1Cl 522474807 QHHRZVUSOPBKDB-FQEVSTJZSA-N 433.920 5.344 30 20 IKED Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 524390914 JZDZGDMZIKWKJF-UHFFFAOYSA-N 430.552 5.178 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1ccc(OC(F)F)cc1 524406072 AKGATLCHMMTJKF-UHFFFAOYSA-N 436.458 5.618 30 20 IKED COc1ccc(OC)c(CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C2CC2)c1 524664159 GEQZDLLVDQUXAS-UHFFFAOYSA-N 443.503 5.564 30 20 IKED CCCN(C(=O)[C@@H](C)Oc1ccccc1C#N)[C@@H](c1cccnc1)c1ccc(F)cc1F 525350966 ARRQVTCYUIWLRG-OSPHWJPCSA-N 435.474 5.027 30 20 IKED Cc1cc(-c2cc(C(=O)N[C@](C)(C#N)CCc3ccccc3)c3c(C)noc3n2)c(C)o1 532157483 LIKBCRSGYMALEM-VWLOTQADSA-N 428.492 5.053 30 20 IKED CC[C@H](C)n1ncc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1C1CC1 534965373 RSNCGUJNJUCUPF-SFHVURJKSA-N 443.551 6.021 30 20 IKED CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 536646901 YVQWTGXUSLDWNH-XDHUDOTRSA-N 434.536 5.496 30 20 IKED Cc1cccc([C@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c2ccccn2)c1 541101589 ZPZYWDQKWWBLFP-QHCPKHFHSA-N 442.910 5.012 30 20 IKED CSc1ccc(C)c(NC(=O)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 541134265 OQFUMSBXELIXDW-QGZVFWFLSA-N 429.545 5.072 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)C(c1ccccc1)c1ccccc1 542558581 ALLXWBWIBMXOGP-LEWJYISDSA-N 443.616 5.830 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2-c2ccno2)cc1Cl 542935730 ULVBWLXENYLUCC-FQEVSTJZSA-N 449.919 5.451 30 20 IKED COc1cc(NC(=O)CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(OC)cc1Cl 542947966 OWNSQRIRRQRWLJ-MRXNPFEDSA-N 449.938 5.185 30 20 IKED Cc1ccc(Oc2ncccc2-c2noc(-c3cccc(CC#N)c3)n2)c(Br)c1 545129596 STJGKXZAHYUIPB-UHFFFAOYSA-N 447.292 5.728 30 20 IKED CC(=O)c1ccc(Cl)c(Cl)c1OCC(=O)N(CCC#N)c1cccc(Cl)c1 550923025 QAOTWKHVOHNEOL-UHFFFAOYSA-N 425.699 5.175 30 20 IKED Cn1c([C@H](C#N)C(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)nc2ccccc21 553984777 NCKINCACLRSRQX-GOSISDBHSA-N 425.879 5.056 30 20 IKED C=C(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@]2(C1)OCc1ccccc12 558999694 MHXJRSIXQGCFHO-MHZLTWQESA-N 437.547 5.014 30 20 IKED N#C[C@@H](C(=O)c1ccc(CN2CCCCC2)cc1)c1nc(-c2c(F)cccc2F)cs1 560948301 PDJOGNGFSJXWHZ-SFHVURJKSA-N 437.515 5.564 30 20 IKED N#Cc1c(NC(=O)c2c(Cl)cccc2Oc2ccc(F)c(Cl)c2)n[nH]c1C1CC1 561621870 MTGITKFIWRCKIC-UHFFFAOYSA-N 431.254 5.649 30 20 IKED Cc1cc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)nn1C1CCCCC1 564412792 MKRSMCMBCDSBNV-UHFFFAOYSA-N 443.551 5.986 30 20 IKED C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 567968467 JRZKKINZBGRSHG-QFBILLFUSA-N 449.555 5.694 30 20 IKED CC1(C(=O)N2CCCn3c(cc4ccccc43)C2)CCN(c2ccc(Cl)cc2C#N)CC1 569958702 TUNAVMHTIZOYCA-UHFFFAOYSA-N 446.982 5.205 30 20 IKED CC(C)Cc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C2CC2)cc1 572970906 UTJWHUXTUXIYES-KOSHJBKYSA-N 449.620 5.485 30 20 IKED N#CCCCCCC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 588147722 AXKFAYOXXQYYTH-UHFFFAOYSA-N 440.352 5.207 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)c1nc2ccccc2s1 592975368 CZKZXSAKUCLSLV-AWEZNQCLSA-N 426.469 6.116 30 20 IKED Cc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1[N+](=O)[O-] 603613568 BEFCQUPUTXUNAQ-AWEZNQCLSA-N 432.288 5.824 30 20 IKED Cc1sc(NC(=O)c2cccnc2Oc2ccc(F)cc2Br)c(C#N)c1C 603776201 MEOBFLQTTYJAIC-UHFFFAOYSA-N 446.301 5.578 30 20 IKED N#C[C@@H](C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)cs1 603836534 ATZIWYNVLWNALN-INIZCTEOSA-N 449.879 5.047 30 20 IKED COCCN(CCc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609078099 BXJPIRRDJAQHRO-UHFFFAOYSA-N 443.547 5.169 30 20 IKED CCOc1cc(-c2ccccc2)sc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609184641 AULKENYIMMRMSR-UHFFFAOYSA-N 432.545 5.369 30 20 IKED Cc1nc2ccccc2n1CCCNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609208768 KIFSIIAFZXDMOS-UHFFFAOYSA-N 425.492 5.221 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCc2[nH]c3ccc(Cl)cc3c2C1 609385394 AYGRKXMKTAPZDN-HNNXBMFYSA-N 438.984 5.212 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1 609438493 IBYZWALSTLHNFG-MZMPZRCHSA-N 430.371 5.521 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O 609556047 UCZUZWAUUWKUIW-BEFAXECRSA-N 442.972 5.003 30 20 IKED Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 609727291 HUTHFLOSZWPYBN-UHFFFAOYSA-N 445.906 5.457 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 610225818 SFDXLNHZCANKKT-UHFFFAOYSA-N 439.302 5.276 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2ccccc2SCc2ccco2)n1 611807547 KXQIJAUBQZQBSQ-UHFFFAOYSA-N 434.908 5.535 30 20 IKED CN(C(=O)C1CC1)c1ccccc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613403377 CRAFVXSWEJNYPJ-HNNXBMFYSA-N 443.450 5.178 30 20 IKED CCCc1c(NC(=O)Nc2ccc3c(cnn3C(F)F)c2)cnn1-c1cccc(C#N)c1 615258298 FRSRABGCWQKGKS-UHFFFAOYSA-N 435.438 5.085 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3cccnc3Sc3ccccc3)ccc21 615884349 SGZBWRPSLXYVNM-UHFFFAOYSA-N 442.544 5.068 30 20 IKED C=C(C)[C@H](NC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)c1ccc(F)c(F)c1 671219363 IJPRXHBNMSLTKA-FQEVSTJZSA-N 434.914 5.328 30 20 IKED O=C(c1ccc2noc(-c3ccc(F)cc3)c2c1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 676575701 IMUSUUPNOLGYHY-GJZGRUSLSA-N 446.322 5.447 30 20 IKED CCCN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@H](C)c1ccc(Cl)c(Cl)c1 726475153 HQBYDBJOFDWNEM-GFCCVEGCSA-N 426.800 6.688 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=S)Nc2ccc(C#N)c(Cl)c2)CC1 726481268 AIXZUSIKDORIDN-IBGZPJMESA-N 449.020 5.020 30 20 IKED N#Cc1cccc(COc2cccc(NC(=S)Nc3ccc4c(c3)OCCCO4)c2)c1 727275404 SORACBWDUIMQEM-UHFFFAOYSA-N 431.517 5.107 30 20 IKED N#Cc1cccc(COc2ccc(NCC(=O)Nc3cc(Cl)ccc3Cl)cc2F)c1 728200661 OYLRYJPAVHHJGN-UHFFFAOYSA-N 444.293 5.634 30 20 IKED C#Cc1cccc(N(C(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)C(C)C)c1 728246930 NQDDFXPICJKKRI-UHFFFAOYSA-N 430.508 5.171 30 20 IKED C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1cccc(N2CCOC2=O)c1 729571221 RTPXRLJBBHIGTK-QGZVFWFLSA-N 442.475 5.190 30 20 IKED Cc1cc(/C=C\C(=O)c2ccc(N3CCC(O)CC3)cc2)cc(C)c1OCc1ccccn1 730085363 PNEVZXYSXMXSRY-WDZFZDKYSA-N 442.559 5.135 30 20 IKED N#C[C@@H](C(=O)CC1CCC(c2ccccc2)CC1)c1nc(O)c2c3c(sc2n1)CCCC3 731135675 HMKFWLLLXRIJSK-NLPFYKDJSA-N 445.588 5.816 30 20 IKED N#C[C@@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1ccccc1Br 733267273 VLXGKDQQSJHHCE-QGZVFWFLSA-N 433.396 5.312 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)OCc1ccc(OCC#N)cc1 733432312 JTLBPYQEZKJURW-UHFFFAOYSA-N 432.423 5.397 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(N3CCc4sccc4C3)cc2)c1 733844558 OAKNPNWLVJVLPU-QFIPXVFZSA-N 446.576 5.313 30 20 IKED CC(C)c1ccc2c(Cl)c(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)sc2c1 734084188 YDGLXZGEHZTZJW-MRXNPFEDSA-N 437.977 6.687 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccccc2)C2CCOCC2)cc1 734645049 ZSBXZUDAUZVQKP-FTJBHMTQSA-N 425.532 5.631 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(C)c(Oc2ccncc2)c1 734705487 JIXDJBCLCLSWTF-GOSISDBHSA-N 449.894 5.114 30 20 IKED C#CCOc1ccc(F)cc1NC(=O)c1cccc(COc2ccc(CCC(C)=O)cc2)c1 741641316 KEBSQOWFFBOKBI-UHFFFAOYSA-N 445.490 5.191 30 20 IKED C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 743971285 AXZBWNLKQHZSDV-MQVPCNEGSA-N 441.506 5.029 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3cc(C(F)(F)F)ccc3n2C)cc1 744034038 YLEQQLJMYWQJQK-LIRRHRJNSA-N 441.453 5.672 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3cccc(Br)c3)n2)cc1 744034182 CGYHNRKVGXVPCJ-KSSFIOAISA-N 441.350 5.525 30 20 IKED N#C[C@H](COC(=O)CCc1nc2cc(Br)ccc2s1)Cc1ccc(F)cc1 744076053 XCPUQPHYOGTSIM-CQSZACIVSA-N 447.329 5.056 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3C[C@@H](O)c3ccc(F)cc3)cc2)cc1 746256817 UUAUKHGVDGTHPI-JYFHCDHNSA-N 444.506 5.412 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnc(-c3ccc(C)cc3C)s2)cc1Cl 747111670 JCAHUDQFGNGJJW-INIZCTEOSA-N 439.924 5.050 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccn(-c4ccccc4Cl)n3)n2)cc1 748009953 LGLGRGZALZFYIN-INIZCTEOSA-N 434.908 5.148 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)N2CCC[C@@](C)(C#N)C2)c(C(F)(F)F)c1 752599051 FGZFKQYRGYCGHC-IBGZPJMESA-N 426.439 5.210 30 20 IKED Cc1ccc(S(=O)(=O)c2ccc(NN=Cc3sc(Cl)nc3Cl)cc2)cc1 755537626 XDCDCBIAGXPPIJ-UHFFFAOYSA-N 426.350 5.037 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 755752698 ZTIYWUIFQFHPJX-XEZPLFJOSA-N 433.961 5.189 30 20 IKED N#CCOc1cccc(CC(=O)N2CCCc3c(NC(=O)CC4CCCCC4)cccc32)c1 760452943 CHEAIQZMJAZPQT-UHFFFAOYSA-N 445.563 5.020 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1cccc(C(=O)c2ccccc2)c1 762025241 LNFRCVRWDOBGQF-FOIQADDNSA-N 448.881 5.161 30 20 IKED COc1ccc2c(c1)C(=O)/C(=C\c1csc(N(C(C)=O)c3ccc(C)cc3)n1)CCO2 763099743 FHNBZOKMOGYPIE-ATVHPVEESA-N 434.517 5.194 30 20 IKED COc1ccccc1-c1nc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cs1 764752379 VQVXKHIQDISWNR-UHFFFAOYSA-N 449.319 5.147 30 20 IKED COCCn1nc(C)c(C(=O)/C=C/c2csc(-c3ccc(C(F)(F)F)cc3)n2)c1C 765613593 VAZQMKAHOCWEEC-CMDGGOBGSA-N 435.471 5.185 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H](c3cccc(F)c3)c3ccccn3)c2)s1 765719361 RHXXDWSTEYLCMZ-DEOSSOPVSA-N 442.519 5.410 30 20 IKED N#Cc1c(Cl)nsc1Sc1nnc(Cc2cccs2)n1CCc1ccccc1 770989760 XBCOTBDFGXXLQM-UHFFFAOYSA-N 444.010 5.306 30 20 IKED N#C[C@@H](COC(=O)CCc1ncc(-c2ccccc2Br)o1)Cc1cccs1 772733754 MGKKHDMGQCYZDU-AWEZNQCLSA-N 445.338 5.024 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1CCc2c(Cl)cccc21 776076989 MAVKDXSELSQVHM-UXHICEINSA-N 430.891 5.510 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 784482693 JZAIRYJFTTVVPX-SJLPKXTDSA-N 447.526 5.385 30 20 IKED N#Cc1ccnc(N2CCC[C@@H](OC(=O)c3csc(-c4cccc5ccccc45)n3)C2)c1 791979993 RHQWSBCMNAFJJC-LJQANCHMSA-N 440.528 5.056 30 20 IKED C#CC[C@@H](Cc1ccccc1)NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 804452101 BRHCRDPLLPGQPB-SFHVURJKSA-N 436.964 5.327 30 20 IKED C#C[C@H](NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(Cl)cc1F 805775561 IDKGHGVAISWGJU-FCHSOHFDSA-N 444.778 5.362 30 20 IKED CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)c3cc(C#N)ccc3Cl)n2)CC1 807885945 UCOVAJIMNLMWOR-UHFFFAOYSA-N 446.960 5.035 30 20 IKED O=C(O[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1cnn(CCC(F)(F)F)c1 809127962 MMRFNEOFWOJXNF-GFCCVEGCSA-N 434.258 5.315 30 20 IKED C[C@@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1ccc(N2CCCOC2=O)cc1 817290262 DYPASLNFSUWUBH-GOSISDBHSA-N 440.503 5.140 30 20 IKED Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)OCc1ccc(-c2ccccc2C#N)cc1 818113304 JVFRRAOEUCGIKN-UHFFFAOYSA-N 438.531 5.108 30 20 IKED C[C@@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1 837515945 CAIGUSNXRBFJAH-PGRDOPGGSA-N 447.560 5.261 30 20 IKED Clc1ccc(CSc2nncn2N=Cc2csc(-c3ccc(Cl)cc3)n2)cc1 916546537 XBPMXGKCYBNLEY-UHFFFAOYSA-N 446.388 5.883 30 20 IKED Cn1c([C@H](C#N)C(=O)/C(=C/c2ccc(Cl)cc2)c2ccc(F)cc2)nc2ccccc21 916627360 PELOPCOLRYKCMI-JCZXDDDQSA-N 429.882 5.783 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1NC(=O)c1ccccc1 916938781 NSBXMAFZICANRD-GOSISDBHSA-N 449.869 5.001 30 20 IKED O=C1NC(=Nc2cccc(C(F)(F)F)c2)S/C1=C\c1cnc(-c2ccccc2)nc1 917146136 YPUXFFWEQQDSHD-MFOYZWKCSA-N 426.423 5.054 30 20 IKED Cc1ccc(C(=O)CCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1C 917343750 FAJRHDQZQFTCKU-UHFFFAOYSA-N 426.516 5.550 30 20 IKED CC(C)(C)n1ncc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1C(F)(F)F 918128651 WNIBHQXZBGZIRE-GOSISDBHSA-N 426.442 5.565 30 20 IKED Cc1ccc(-c2noc([C@@H](C)OC(=O)c3ccc(COc4ccccc4C#N)o3)n2)cc1F 919514174 OTZZKCXUSVDNER-OAHLLOKOSA-N 447.422 5.146 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)cn2)cc1 919982945 BPHCOZXYQZEFKZ-UHFFFAOYSA-N 449.392 5.202 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)s1 920143645 ZEPOEDUECNPKHV-MRXNPFEDSA-N 446.582 5.594 30 20 IKED N#C[C@H](C(=O)CCCOc1ccc(Cl)cc1)c1nc(-c2c(F)cccc2F)cs1 920805918 HCRBLKXLCPCHTJ-OAHLLOKOSA-N 432.879 5.777 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)nc3OC)CCC2)cc1 1789626457 PPGYESOEAWFRRP-UHFFFAOYSA-N 435.568 5.139 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)no3)cc2)CCC1 1789781894 LESQMVDFJHFMER-UHFFFAOYSA-N 447.560 5.009 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCCCCC(=O)OC)cc2)CCC1 1791662418 GKYIKJPGBLACRM-QFIPXVFZSA-N 440.584 5.012 30 20 IKED COc1cc(Cl)cc(C(=O)Nc2ccc(C3(NC(=O)[C@H](S)C(C)C)CCC3)cc2)c1 1792147951 RGWNRHWVFPLCAT-HXUWFJFHSA-N 447.000 5.051 30 20 IKED Cc1c(C(=O)NC2(c3ccc(NC(=O)C4(C#N)CCC4)cc3)CCC2)oc2ccccc12 1792230479 SJGICQOSSXCIQT-UHFFFAOYSA-N 427.504 5.183 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(Cl)s2)n[nH]1 1815730617 AIIWPDQWUOSYIS-WMZOPIPTSA-N 447.004 5.128 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C(C)=C/c2ccc(C)o2)[nH]n1 1819307573 WMCVDJUVWPCARA-WOHYVMBMSA-N 436.556 5.175 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc(C(C)C)cs2)CC1 1825385461 IDRGDOMEPVVODJ-UNMCSNQZSA-N 443.657 5.268 30 20 IKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829903713 CCABCBLQGVXMSI-DEOSSOPVSA-N 445.563 5.016 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(F)cc2)CC1 1831689661 KBMYUCKKADWIJY-LOSJGSFVSA-N 440.603 5.146 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2c(C)cccc2C)cc1 11153325 RVIHJYAHBHRSRZ-UHFFFAOYSA-O 439.551 5.873 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(\S)Nc2c(C)cccc2C)[n+]2ccc(N(C)C)cc2)c1 11153526 GHVKOHOONPCCPR-UHFFFAOYSA-O 432.613 5.325 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)c(Cl)c1)=C(/S)Nc1cccc(C)c1 11268936 HFMMDZCTORQDAC-UHFFFAOYSA-O 444.407 6.203 30 20 IKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(Nc3ccccc3)s2)ccc1Cl 12039467 JGIRWXJOIMUCDL-UHFFFAOYSA-N 443.985 5.283 30 20 IKED CC(C)c1ccc(Nc2nnc(SC[C@@H](O)COc3ccc(CC#N)cc3)s2)cc1 15233541 JYZLKVKGAMZPPT-IBGZPJMESA-N 440.594 5.003 30 20 IKED C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccc(Cl)cc1 21608775 ZBCSYNQYEHZBOK-UHFFFAOYSA-N 447.391 5.786 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1/C(O)=N/c1nc(CN2CCCCCC2)cs1 30559723 YISVIXQSQLLTHE-UHFFFAOYSA-N 444.601 5.650 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 60016488 RJCJMEAZGBZJBS-UHFFFAOYSA-N 439.515 5.016 30 20 IKED CC[S@](=O)[C@H]1CCC[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 429043535 BFCLVPYDBLSODS-FWOMMXCISA-N 445.972 5.205 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N(CCc3ccccn3)Cc3cccnc3)c2)cc1 431314242 OOBOEJOOJPMGBE-UHFFFAOYSA-N 434.499 5.026 30 20 IKED N#CCc1cccc(C(=O)Nc2ccc(NC(=O)c3cc(Cl)ccc3O)c(Cl)c2)c1 436662590 ZMPKRRDVMWXETE-UHFFFAOYSA-N 440.286 5.270 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@H]3C[C@@H]3c3ccccc3OC(F)F)cc2)cc1 437378230 RPCBWJGGIZEEEV-YADHBBJMSA-N 434.442 5.432 30 20 IKED N#C[C@H](C(=O)c1ncccc1OCC(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1 437392453 YXFADJYJGPMGLK-CYBMUJFWSA-N 437.830 5.290 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H](C)c2sc(CC)nc2C)cc1 437839294 MILHFKXWBIHTCB-QGZVFWFLSA-N 426.586 5.053 30 20 IKED CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 437898954 RDMXJNXQWXZRMF-RUZDIDTESA-N 441.575 6.125 30 20 IKED COc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cn2)cc1 438419901 QNBQGAVXAJFUFS-DHIUTWEWSA-N 428.492 5.186 30 20 IKED CCCc1c(NC(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)cnn1-c1cccc(C#N)c1 440067513 FMAXWKMZEPJRES-UHFFFAOYSA-N 447.514 5.072 30 20 IKED CC(C)c1ncc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cn1 440926109 GEWFDUIYWJOXHK-NRFANRHFSA-N 433.943 5.573 30 20 IKED C[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C1 441759042 JCDAORNVZAEHCY-YOEHRIQHSA-N 445.441 5.003 30 20 IKED C[C@H](NCc1ccncc1OCC(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 442132122 TWFUOLIHJDWBLM-JTQLQIEISA-N 428.323 5.614 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)cc1 442753485 OTNWVDWWCFJLHR-UHFFFAOYSA-N 428.319 5.948 30 20 IKED Cc1cccc2nc(C3CCN(CC(=O)c4cn(CCC#N)c5ccccc45)CC3)oc12 444761026 LIZUXDXYUUCNPQ-UHFFFAOYSA-N 426.520 5.067 30 20 IKED CC(C)Nc1ccc(Br)cc1NC(=O)c1cc(-c2cccc(C#N)c2)no1 447525337 YNKPPIPGIRCAJT-UHFFFAOYSA-N 425.286 5.048 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 448302603 NTLZACHWEVUBKP-SFTDATJTSA-N 439.441 5.195 30 20 IKED COc1cccc(CO[C@H](C)C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)c1 460177959 XGZADVLANVKAKX-GOSISDBHSA-N 434.923 5.359 30 20 IKED N#Cc1cnc2ccc(Cl)cc2c1N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 462816670 MYKLMIVAMCWJAH-HNNXBMFYSA-N 433.874 5.333 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CCOc4c(F)ccc(F)c43)c2)cc1 463518896 RXHICVPHSAUBME-JOCHJYFZSA-N 449.457 5.255 30 20 IKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)c12 464472825 PZGDLLILKZEERR-MRXNPFEDSA-N 440.356 5.241 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)cc1Cl 466040018 PSLCSFUIOMAZPH-ZWSUVBHBSA-N 445.950 5.895 30 20 IKED N#CCSCCCSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1 466624692 IEKFAEYIMSIOGX-UHFFFAOYSA-N 439.587 5.446 30 20 IKED N#CCCCN1C(=O)CCc2cc(NCc3ccc(-c4ccccc4[N+](=O)[O-])o3)ccc21 469196301 NLCAFGWROYAMBU-UHFFFAOYSA-N 430.464 5.050 30 20 IKED C[C@H]1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C[C@H](c2ccsc2)O1 470736075 GFHKOKNUMOMUNQ-HTAPYJJXSA-N 434.586 5.514 30 20 IKED C=CCc1ccc(OCC(=O)Nc2cc(Cl)ccc2-c2nc(C3CC3)no2)c(OC)c1 471516775 SJUVSLBUZIGDJZ-UHFFFAOYSA-N 439.899 5.022 30 20 IKED CN(Cc1cc2ccccc2o1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 472715847 PHLLHAVKSJZLSX-UHFFFAOYSA-N 435.534 5.112 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 472937290 GXUUOCWXDMLGRN-FYYLOGMGSA-N 430.483 5.103 30 20 IKED C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC 473764993 YLXIRTFYSLRUOD-MRXNPFEDSA-N 437.989 5.406 30 20 IKED N#CCc1ccc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@H](F)C(F)(F)F)(C4)C3)cc1 477150550 LOVYVLGAASXGMC-RRJNICJXSA-N 444.419 5.813 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCOC3(CCCCCC3)C2)cc1 478601249 VOGDUAOCVLQZOM-UHFFFAOYSA-N 433.552 5.289 30 20 IKED O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CCC(F)(F)C1 480728441 KZNGRHNHLIWKRD-HQJQHLMTSA-N 443.256 5.879 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCCc3cccc4cccnc34)cc2F)c1 481748785 ZSTKEMPYDUZELM-UHFFFAOYSA-N 440.478 5.189 30 20 IKED O=C(Nc1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(C(F)(F)F)c1)c1ccco1 481761325 OTOJUNJDGVXBON-UHFFFAOYSA-N 446.278 5.359 30 20 IKED Cc1onc(-c2cccc(Cl)c2)c1C(=O)N[C@@H](C#N)c1cccc(Br)c1 483995530 RFAFBIXTRNINDF-INIZCTEOSA-N 430.689 5.061 30 20 IKED CCN(C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C1 485445735 ZTKNNIFDWZNGEV-INIZCTEOSA-N 446.473 5.175 30 20 IKED N#CCCC[C@H](NC(=O)c1ccc(I)cc1Cl)c1ccccc1 487186431 PAGUFEHUOROYCR-KRWDZBQOSA-N 438.696 5.110 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC4(CC3)OCCc3ccsc34)cc2)cc1 487421251 PKFJVCKLOOHCDI-UHFFFAOYSA-N 444.556 5.311 30 20 IKED COCc1ccsc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 487652492 AZOCMRVLOIHPRI-UHFFFAOYSA-N 437.468 5.085 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cc3c(s2)-c2ccccc2OC3)cc1 487847953 XWTOADWDBLZBBU-UHFFFAOYSA-N 428.435 5.384 30 20 IKED C=CCn1c(S[C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)nnc1-c1cnccn1 488899597 OXEZYMPBUIJHQG-CQSZACIVSA-N 438.944 5.391 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nnc1-c1ccccc1C 488925214 JGUYIRYBLPDMAV-QZTJIDSGSA-N 446.576 5.544 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)c3nc(-c4ccc(C)c(F)c4)no3)o2)cc1 489772900 DWXAQNXVSYPCSI-CQSZACIVSA-N 438.484 5.652 30 20 IKED CCSc1ccc([N+](=O)[O-])cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 490720068 OHYIHDVWLQHIFE-QGZVFWFLSA-N 439.518 5.329 30 20 IKED CCn1c(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)nc2cc(C#N)ccc21 490770115 PHLSEFZGKJEDHS-UHFFFAOYSA-N 432.915 5.143 30 20 IKED Cc1ccc([C@H](Nc2cccc(OCCCC#N)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 494946400 DFXFPENIBKKKEQ-AREMUKBSSA-N 448.588 5.591 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1csc(-c2ccccc2)n1 500109325 BKWRJORRDAUPSW-UHFFFAOYSA-N 445.357 5.469 30 20 IKED O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1ccc(OCC(F)(F)F)cc1 500245905 NOUGOIOBNIXYGT-UHFFFAOYSA-N 425.300 5.350 30 20 IKED C[C@H](NC(=O)N(C)CCCN(C)Cc1ccco1)c1ccc(-c2cccc(C#N)c2)cc1 501859336 WXVXXDUXWUWYKA-FQEVSTJZSA-N 430.552 5.043 30 20 IKED COCCSc1ccc([C@@H](C)NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 504743362 VSXMGDJHVAKQRR-LJQANCHMSA-N 446.572 5.367 30 20 IKED CCc1cc(C#N)c(NC(=O)CSc2nnc(-c3ccccc3)n2[C@H](C)CC)s1 505071386 SVMJKUUJCFJGQI-CQSZACIVSA-N 425.583 5.142 30 20 IKED COc1cc(C2(C(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)CC2)ccc1C 505698433 WYBYCZMZSMXEAB-UHFFFAOYSA-N 428.488 5.347 30 20 IKED C=CCn1c(SC[C@@H]2CCN(C(=O)c3ccccc3)C2)nnc1-c1ccc(Cl)cc1 509095447 DTZMXGYOFCGMSL-QGZVFWFLSA-N 438.984 5.039 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)c1 510057194 RABADFZFOXUTLD-SQJMNOBHSA-N 426.516 5.035 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 510461872 NGVCZRNWIRCEHE-UHFFFAOYSA-N 443.503 5.310 30 20 IKED COc1ccc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1F 514013762 QXSOVASSWLCNJC-KRWDZBQOSA-N 435.474 5.318 30 20 IKED CC(C)[C@H](c1ccc(Cl)cc1)c1noc(-c2ccc(S(=O)(=O)CCCC#N)cc2)n1 514891149 PTCQYAYIGRLYFA-HXUWFJFHSA-N 443.956 5.255 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 515121268 IXJJNIUKCLLIOE-UHFFFAOYSA-N 442.397 5.086 30 20 IKED Cc1nc(-c2ncccn2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 515585209 GNNJRDXNIKAPPG-CQSZACIVSA-N 437.937 5.176 30 20 IKED Cc1nc(CCC(=O)Nc2ccc(Cl)c(C#N)c2)oc1-c1ccc(Br)cc1 518036888 FNJBGBXLKKKTNS-UHFFFAOYSA-N 444.716 5.509 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 518660091 IOFYPLOEYZKROD-OAHLLOKOSA-N 436.558 5.690 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCCC[C@@H]3c3nc4ccccc4o3)cc2)ccn1 518953368 PRBCASSCFUGMFV-JOCHJYFZSA-N 439.475 5.646 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(-n2cnc3ccccc32)cc1 520856673 MTPQCQUHUVVIGT-SFHVURJKSA-N 441.560 5.599 30 20 IKED CCCN(Cc1ccc(F)cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 521208441 UDYOKRPMBZCBGR-UHFFFAOYSA-N 430.483 5.394 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 523509316 XOTSUASMCVTUCJ-UHFFFAOYSA-N 432.442 5.149 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)cc1C 523864024 HXZUIYSIPOZJIM-UHFFFAOYSA-N 444.926 5.172 30 20 IKED COCCN(C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(C#N)cc1 525082773 OXFRLVYOHQDQQO-UHFFFAOYSA-N 436.964 5.797 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C[C@H](C)c1ccccc1C(F)(F)F 525558370 JPKJUYFJJUYLCK-HNNXBMFYSA-N 439.437 6.205 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 530500230 VVLLMMMEDFVINA-HXUWFJFHSA-N 429.564 6.395 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1ccc(SCc2ccccc2)cn1)c1ccccc1 533600870 JWZQPOPSSSAXIZ-UHFFFAOYSA-N 444.560 5.039 30 20 IKED C=CCN(Cc1ccc(OC)cc1)Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1 534490273 BCLRPBGWXHCGSQ-UHFFFAOYSA-N 449.620 5.950 30 20 IKED CC(C)c1cc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(O)c(C(C)C)c1 537638239 JOETZWHFEXTCTC-UHFFFAOYSA-N 433.552 5.002 30 20 IKED CC(C)Oc1ccc(NC(=O)c2ccc(Br)cc2C(F)(F)F)cc1C#N 538458664 MCKKPIIVMBQMOB-UHFFFAOYSA-N 427.220 5.379 30 20 IKED C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCCCC2(C#N)CCOCC2)nnc1-c1ccco1 538569621 GEORWGUGRINHLU-MUGJNUQGSA-N 440.613 5.728 30 20 IKED Cc1c(C#N)c(NC(=O)CCN[C@H](C)c2cccc(OC(C)C)c2)n(Cc2ccco2)c1C 539227782 XESPIFIURVANNS-LJQANCHMSA-N 448.567 5.085 30 20 IKED CN(C[C@H](O)C(F)(F)F)C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1 540403997 MUHPANASVPMENO-HNNXBMFYSA-N 440.315 5.024 30 20 IKED C[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H](C)c1ccccc1C(F)(F)F 542561821 JSJZSRLEEJICLY-ZACQAIPSSA-N 449.542 5.677 30 20 IKED CN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 543519196 XITNQPAMIKVTNC-AOYPEHQESA-N 444.506 5.269 30 20 IKED CCc1nnc(-c2ccc(NC(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc2)o1 543882149 GJLPYNHAKLMZTR-QGZVFWFLSA-N 437.503 5.720 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)CC1 548774577 GWQFWHPFNILGBW-UHFFFAOYSA-N 437.499 5.104 30 20 IKED O=C(c1ccc(-c2ccc(C(F)(F)F)cc2)o1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 551257221 SFYMRNONTPPIKQ-UHFFFAOYSA-N 445.281 5.922 30 20 IKED N#Cc1cccc(COc2cccc(CN(Cc3cccs3)[C@@H]3C=C[C@H](CO)C3)c2)c1 554890711 UYIWKJDDRXQTTH-LADGPHEKSA-N 430.573 5.138 30 20 IKED C[C@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccc(-c2cccc(C#N)c2)cc1 555141047 APAMAKLGXNXFDS-SFHVURJKSA-N 428.492 5.079 30 20 IKED COc1cc(C(C)=O)ccc1OCCCC(=O)N(Cc1ccccc1)c1ccccc1C#N 561700613 JQFGWHAKGOOXFL-UHFFFAOYSA-N 442.515 5.162 30 20 IKED CCN(C)C(=O)c1cccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1 568310302 SMWJYJMSHHOBGA-UHFFFAOYSA-N 433.895 5.348 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CC(Cc2cccc(C(F)(F)F)c2)C1 590116413 NRENERWRZHEHRZ-OAHLLOKOSA-N 433.499 5.664 30 20 IKED N#C[C@H](C(=O)c1cc(-c2cccs2)nc2ccccc12)c1nc2cc(F)ccc2s1 592974718 XZFIFMZIZWWNHR-MRXNPFEDSA-N 429.501 6.202 30 20 IKED CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 603650384 WRQQCMACRDPTDG-UHFFFAOYSA-N 430.455 5.288 30 20 IKED Cc1cc(OC(F)F)c(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)s1 603827468 RZEYQIKYMUAXFI-YUMQZZPRSA-N 425.341 5.297 30 20 IKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nnn1-c1ccccc1 603962244 ONVVDMVHQJLASL-NRFANRHFSA-N 427.895 5.137 30 20 IKED C=CCCCCCN(C)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 606980591 NDWHQHSVRHOYTK-TZIWHRDSSA-N 425.539 5.476 30 20 IKED CCO[C@@H](C)c1nc(CN(C)C(=O)Nc2cccc(C#Cc3cccs3)c2)cs1 608273192 LADKSKUECLCDEB-INIZCTEOSA-N 425.579 5.366 30 20 IKED Cn1c([C@H]2CCCCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)nc2ccccc21 609126714 JUMXOPJOHKXZSV-RUZDIDTESA-N 436.515 5.605 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c2)cc1 609126802 WAMDTPCWWQBVEJ-HOTGVXAUSA-N 442.359 5.553 30 20 IKED CCC(CC)CN(CCC#N)C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 609189517 SWPUEYIRGJBJKY-UHFFFAOYSA-N 446.345 5.086 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(-n2cc(Br)cn2)cc1 609377867 HVDYNMAZZYAQBW-CQSZACIVSA-N 441.354 5.139 30 20 IKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccc(Cl)cn1 609387069 JDSWZNLSNVYFRD-NSHDSACASA-N 428.867 5.199 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 609398378 XKQOVFGXYMLHSM-KRWDZBQOSA-N 447.564 5.400 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(Oc4ccc(C(N)=O)cc4)cc3)cc2)c1 609429607 RRBNVJLEKHJFTI-UHFFFAOYSA-N 449.466 5.494 30 20 IKED CC(C)CCN1Cc2cccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)c2C1 609504090 UATVCSBWWPCSGY-UHFFFAOYSA-N 426.520 5.360 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)c1 609723423 RZAOSQFPAFGMHH-VWLOTQADSA-N 439.902 5.918 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Nc3ccc(O[C@@H]4CCOC4)cc3)cc2F)c1 610095374 RAKURSBQMYMZDS-JOCHJYFZSA-N 447.466 5.088 30 20 IKED CCCOc1ccccc1Oc1ncccc1CNC(=O)N[C@@H](C)c1cccc(C#N)c1 610355205 KSQHTCOQAJXVGT-SFHVURJKSA-N 430.508 5.095 30 20 IKED CC(C)N(CCc1nccs1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 611093966 RUKWCJDQSFIANT-HXUWFJFHSA-N 438.984 5.937 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3OCc3cscn3)n2)cc1 613318006 DHIZJAQJLWDIRY-LJQANCHMSA-N 431.542 5.644 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 613391994 GBLOIQZCLGHIJE-SFHVURJKSA-N 433.533 5.795 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 619342837 QXUNQZBBDCZOQJ-HXUWFJFHSA-N 444.535 5.054 30 20 IKED CCc1nc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(OC)cc4)cs3)cc2nc1CC 619756427 CFFDUJZPXUEVPS-GOSISDBHSA-N 442.544 5.377 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)nnc1-c1ccco1 638643658 AKGLXJNMMYSFES-KRWDZBQOSA-N 436.537 5.147 30 20 IKED Cc1nc(-c2ccc(CNC(=O)NCC#Cc3cccc(C(F)(F)F)c3)s2)cs1 642666924 NAJXQHFYEQXEMZ-UHFFFAOYSA-N 435.496 5.050 30 20 IKED C=CCn1c(Sc2nc(C)nc3sc(-c4ccccc4)cc23)nnc1-c1cccnc1 669623779 DTRCKZNUAMXZTJ-UHFFFAOYSA-N 442.573 5.657 30 20 IKED O=C(N[C@@H](Cc1ccccc1)c1ccccc1F)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674634276 MDVNZOIALCFDPD-JZXOWHBKSA-N 448.382 5.492 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)NC1(c2ccc(F)cc2F)CCC1 677825066 HCBAZGLCZOLMQC-PJXYFTJBSA-N 444.366 5.553 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)c(C(F)(F)F)c(F)c1 683187359 UTLDYDBZCXSMIG-BRPSZJMVSA-N 443.256 5.623 30 20 IKED CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 727133290 KYWPKAIMTJKZNT-RPWUZVMVSA-N 441.531 5.547 30 20 IKED Cc1cc(C(=O)Nc2cccc(COCc3ccco3)c2)c(C)n1-c1ccc(C#N)cc1 728267578 CGLXSKUQUVUEHU-UHFFFAOYSA-N 425.488 5.528 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCN(CCc3ccccc3)C2)cc1 728687188 DPVFRSCPDZVBNX-YIXXDRMTSA-N 438.575 5.028 30 20 IKED O=C1/C(=C/c2cc3ccccc3nc2N2CCOCC2)Cc2c1ccc(Cl)c2Cl 729149632 DZGHWQZMYFDDDY-NTCAYCPXSA-N 425.315 5.201 30 20 IKED N#C[C@@H](C(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1)c1nc2ccccc2s1 730070774 ALCWANQJWYPRBG-AOMKIAJQSA-N 436.508 6.284 30 20 IKED COc1cccc2cc(C=Nn3c(S)nnc3COc3cc(C)ccc3C(C)C)oc12 730551099 SQPLIDQPKTZPRT-UHFFFAOYSA-N 436.537 5.215 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12)c1nc(O)c2c3c(sc2n1)CCCC3 730918214 WPFQCPSVOGOACG-VAMGGRTRSA-N 439.540 5.409 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1csc(-c2ccccn2)n1 730993944 GDMUBYAGOVEQEX-UHFFFAOYSA-N 434.468 5.482 30 20 IKED N#Cc1cccc(OCC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCC3)c1 732028055 LYJAPHYGXPKETB-UHFFFAOYSA-N 431.542 5.403 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2)nc1 733235155 TZHSUPKDKMWZLO-UHFFFAOYSA-N 425.444 5.478 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)ccc1OC 733648196 SBUUZDNNLVDMEJ-KNQAVFIVSA-N 427.520 5.102 30 20 IKED O=C(/C=C\c1nccn1Cc1ccccc1)c1ccc(Br)cc1Br 734096523 OOSMDDGWYNCOGQ-HJWRWDBZSA-N 446.142 5.353 30 20 IKED Cc1cccc(C)c1NC(=O)CCCOC(=O)c1cccc(COc2ccccc2C#N)c1 734201105 QWPGSLVTDIFWRP-UHFFFAOYSA-N 442.515 5.330 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(-c2c(F)cccc2F)o1 734362673 BABQSKCNRJFGHS-UHFFFAOYSA-N 447.466 5.854 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CC=C(c4c[nH]c5ncccc45)CC3)c2)s1 740060080 PEQLRCOAFOLHJG-UHFFFAOYSA-N 439.544 5.162 30 20 IKED C[C@](O)(CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccsc1 741061998 FRKPCCUKMGGSET-NRFANRHFSA-N 427.913 5.095 30 20 IKED COc1ccc(SCCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1OC 741113792 ZYPDLEYKTZGXNF-SFHVURJKSA-N 449.557 5.058 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=S)N[C@H]3CCOc4ccccc43)cc2Cl)cc1 741479408 LDGGSKDLZKHAOK-FQEVSTJZSA-N 435.936 5.814 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)cc1 747975763 BTDMHBAMBNPZLF-CLJLJLNGSA-N 443.522 5.694 30 20 IKED CN(C(=O)NCc1ccc(OCC#N)cc1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 748969310 MQFXHCPAYFUIAH-HSZRJFAPSA-N 437.902 5.312 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(Oc2ccccc2)o1 749025550 IYQORXYFNMCSKJ-MRXNPFEDSA-N 428.416 5.348 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=S)NCCSc2ccccc2)cc1 751014913 UBNQNBKWIMZRPG-UHFFFAOYSA-N 435.574 5.438 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1C#N 752303820 BSJRTLUXWICQQA-UHFFFAOYSA-N 445.504 5.049 30 20 IKED C=CC[C@H](N[C@@H](C)c1cc(Br)cc(Br)c1O)c1ccncc1 756582948 LTWVONYDJGLHMO-ZBEGNZNMSA-N 426.152 5.280 30 20 IKED C#CC[C@@H](NC(=O)N(CCCn1ccnc1)Cc1c(F)cccc1Cl)c1ccccc1 757761543 NDKOFUMGYZQMPU-HSZRJFAPSA-N 438.934 5.042 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)Cn1nc(-c2cccs2)n(Cc2ccco2)c1=S 764933670 RAGOVMNVBDCXEO-UHFFFAOYSA-N 449.605 5.524 30 20 IKED C[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1ccc(Oc2ccccc2)cc1 775331748 KJIZPWPJGBJXPF-MBSDFSHPSA-N 434.499 5.367 30 20 IKED CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 777299034 XYTFBLYWLNDXDM-UZUQRXQVSA-N 443.569 5.078 30 20 IKED C[C@@H](OC(=O)c1csc(-c2cccc3ccccc23)n1)C(=O)Nc1ccccc1C#N 778190195 DCBUKZIEULSYRW-OAHLLOKOSA-N 427.485 5.019 30 20 IKED CC(=O)N1C/C(=C\c2cccc(NC(=O)c3ccc(Cl)cc3)c2)C(=O)c2ccccc2C1 778520005 MYCXESOAVKSDDR-FYJGNVAPSA-N 444.918 5.221 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2ccccc2)C(=O)N[C@H]1c1scnc1C1CC1 783645377 KOPWSSUTVTYGCY-JOCHJYFZSA-N 447.535 5.426 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cccc(OC(F)(F)F)c3)n2)cc1 784498476 KBJCEUOCNJLILF-KRWDZBQOSA-N 432.423 5.136 30 20 IKED C#Cc1cccc(NC(=S)N[C@H](Cc2ccccn2)c2ccc(Br)cc2)c1 788680064 JKPCYVZGWODAKO-OAQYLSRUSA-N 436.378 5.096 30 20 IKED CN1C/C(=C\c2cnc(-c3ccco3)s2)C(=O)/C(=C/c2cnc(-c3ccco3)s2)C1 789127139 KSWFHZZSJRFSGT-VOMDNODZSA-N 435.530 5.101 30 20 IKED CC(=NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1cc2c(s1)SCC(=O)N2 794980842 GJGGVIFFCPBMHH-UHFFFAOYSA-N 449.483 5.104 30 20 IKED CCOC(=O)[C@@H]1C/C(=C\c2cccc3c2N(C(=O)OC(C)(C)C)CC3)C(=O)c2ccccc21 802707087 FASWBZROTGJFOB-JIKIWWBOSA-N 447.531 5.301 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(-c2cccnc2)nc2ccccc12 804560675 IJNLBZKVLDPBBY-UHFFFAOYSA-N 425.536 5.293 30 20 IKED O=C(O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)C1CCN(CC(F)(F)F)CC1 809128547 XTOZGPXLMUSBRT-ZDUSSCGKSA-N 437.302 5.126 30 20 IKED CC(C)OCc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1O 811594970 SZXNNHFPQLWBBW-UHFFFAOYSA-N 432.545 5.733 30 20 IKED C=C(C)[C@@H](NC(=O)N1CCC([C@H](O)c2ccc(OCC)cc2)CC1)c1ccc(F)c(F)c1 812901731 BEHGFVPWZZDRLJ-DNQXCXABSA-N 444.522 5.136 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 858076119 XCZJQXBQCJTGRQ-NRFANRHFSA-N 443.478 5.056 30 20 IKED CN(Cc1ccc(C#N)cc1)Cn1nc(Nc2ccc(SC(F)F)cc2)sc1=S 914783371 ZSNNJFNZJBVCLB-UHFFFAOYSA-N 449.577 5.694 30 20 IKED COc1cc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1OC(C)C 914849094 STWNRTMDDPXMAL-UHFFFAOYSA-N 446.572 5.576 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1 915104288 OJFKRSSWWMBHON-INIZCTEOSA-N 440.450 5.197 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915180522 NVLJPJUYDYWCLQ-VWLOTQADSA-N 445.547 6.617 30 20 IKED CC(C)c1nnc(S)n1N=Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 916544060 BAQLNHURYSKSGH-UHFFFAOYSA-N 436.972 5.138 30 20 IKED Cc1nn(-c2ccccc2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc12 916881801 YMMVJJICJXCASX-SFHVURJKSA-N 434.908 5.010 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 916882810 CZIBMQPACFTVIL-GOSISDBHSA-N 439.487 5.323 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1Cc1ccccc1 916927460 KFXKUNUSEQKORL-IBGZPJMESA-N 440.330 5.421 30 20 IKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2[nH]c3ccc(F)cc3c2Cl)ccc1Cl 919424263 KGBHIROQICBAJG-UHFFFAOYSA-N 448.281 5.026 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccc(N3CCCCC3=O)cc2)cc1 919910319 NMVFKDKVCBDEOB-UHFFFAOYSA-N 440.503 5.189 30 20 IKED Cc1ccc(OCc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)o2)c(C)c1 920110810 WHYQPVDUNMHAEB-JOCHJYFZSA-N 438.483 5.590 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccnc3ccccc23)[nH]n1 1819554522 FGKDUOSYWOZYNJ-JOCHJYFZSA-N 445.567 5.256 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc3ccccc3o2)CC1 1823753384 LRDXDTYGVRUWOE-NRFANRHFSA-N 437.584 5.054 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc(CCCCC)s2)CC1 1831377275 XFLXEEXHOSZDBI-FPOVZHCZSA-N 445.673 5.321 30 20 IKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(F)cc2)cc1 10829817 BRSQPOCXAXYDGQ-UHFFFAOYSA-O 447.599 5.950 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccc(C)c(C)c2)cc1 11163409 QUXLRXSAOKTBDB-UHFFFAOYSA-O 445.652 6.718 30 20 IKED C[C@H](OC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)C(=O)Nc1ccccc1C#N 19165050 NXKRLXTXKFSSMO-KRWDZBQOSA-N 437.455 5.064 30 20 IKED CCOc1ccccc1-c1nnc(SCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)o1 21545543 QUMNPNLIILMYSV-KGENOOAVSA-N 435.549 5.108 30 20 IKED C=CCn1c(S[C@H](C)C(=O)NC(CC)CC)nc2scc(-c3cccs3)c2c1=O 21953637 ICFBPKUFDJXPGL-CYBMUJFWSA-N 447.651 5.158 30 20 IKED C[C@@H](Sc1ncnc2scc(-c3ccc(F)cc3)c12)C(=O)NC1(C#N)CCCCC1 22128982 PVWVAVZSVFNPDQ-CQSZACIVSA-N 440.569 5.321 30 20 IKED C=CCc1ccc(OCC(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c(OC)c1 23011539 FZGAZJWFDXOMOG-UHFFFAOYSA-N 431.492 5.085 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccco1 29548067 BOYCOXGFKPNWOQ-HXUWFJFHSA-N 434.496 5.335 30 20 IKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(OCc2ccccc2C#N)cc1 32343169 JZTYBTZNHRAASP-QGZVFWFLSA-N 427.529 5.580 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2csc(-c3ccccc3F)n2)cc1 64301266 XATXOEILMRWPQJ-UHFFFAOYSA-N 443.503 5.847 30 20 IKED Cc1cc(Sc2nnc(Cc3cccs3)n2C2CC2)n2c(nc3ccccc32)c1C#N 71872243 JZKFXIQDOHFHHD-UHFFFAOYSA-N 442.573 5.398 30 20 IKED C[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc(-n2cncn2)cc1 303705391 XZXKBRVILPUQKX-INIZCTEOSA-N 443.894 5.076 30 20 IKED Cn1c(C(F)F)nc2cc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)ccc21 409754618 OFFWMMBAGXHEJM-UHFFFAOYSA-N 436.393 5.566 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)c1ccc(COc2ccccc2Br)cc1 410266575 LOGHFNNSLIAMIK-UHFFFAOYSA-N 435.321 5.172 30 20 IKED N#CCCn1ncc(C(=O)Nc2nc(-c3cccc(Cl)c3)cs2)c1-c1ccccc1 428204600 GGVABBJHBLFXPX-UHFFFAOYSA-N 433.924 5.493 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(SCc3ccccc3)cn2)c1-c1ccccc1 430293651 MDMNCDVOKVXWKT-UHFFFAOYSA-N 439.544 5.403 30 20 IKED CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)NCC1(CC#N)CC1 431048849 LPKYZQMTJQDRSJ-UHFFFAOYSA-N 447.970 5.087 30 20 IKED COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Nc1cccc(C#N)c1C)CC2 431706252 AYYDVABZSVPGBL-VWLOTQADSA-N 427.504 5.064 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 432074582 CAAFVJZFGRZQQJ-YRGRVCCFSA-N 436.400 5.582 30 20 IKED N#Cc1cscc1C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 432673900 YHOZFAGEWMUWPP-UHFFFAOYSA-N 427.363 5.323 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)Nc1ccc(SC2CCCC2)cc1 437443076 SYNSZFVEGHHXAY-INIZCTEOSA-N 439.606 5.550 30 20 IKED CC(C)[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nnc2ccccn12 438657025 QEKZSPLIOGWLJS-QFIPXVFZSA-N 444.470 5.051 30 20 IKED N#CCC[C@@H](NC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1ccccc1 438835231 BUHUSDBNUFHNSK-HHHXNRCGSA-N 449.558 5.443 30 20 IKED Cc1c(NC(=O)[C@H](C)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cccc1[N+](=O)[O-] 439643878 GVNIGMDVRNDZMQ-HNNXBMFYSA-N 434.427 5.145 30 20 IKED CCCc1c(NC(=O)[C@@H](C)c2ccc(Br)cc2)cnn1-c1cccc(C#N)c1 440097763 NIPLLIKBXBATBO-HNNXBMFYSA-N 437.341 5.201 30 20 IKED N#C[C@@H](C(=O)c1ccc(OC2CCOCC2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 442672512 QOKLFIBENXAUOQ-FQEVSTJZSA-N 438.936 5.511 30 20 IKED N#Cc1cccc(-c2nnc(CN[C@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)o2)c1 444738671 CNPBEUQCMHUARF-MRXNPFEDSA-N 440.347 5.410 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C)n(Cc4ccncc4)c3C)n2)cc1 460366891 BIHSVSMWAAZADF-QFIPXVFZSA-N 442.544 5.170 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H]1c1ccccc1OC 460583713 LJKGOWYJOYOJGQ-HSZRJFAPSA-N 427.552 5.276 30 20 IKED C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 462808640 DUEIWFVFBFOBDF-CJFMBICVSA-N 441.600 5.101 30 20 IKED N#Cc1ccccc1Oc1ccc(NCC(=O)Nc2ccc(OC(F)F)cc2)cc1F 463224613 YCTGGJXCSQQDKR-UHFFFAOYSA-N 427.382 5.142 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2C[C@@H](n3cccn3)Cc3ccccc32)cc1 464410907 XXSLQJJODOVLTB-FQEVSTJZSA-N 438.462 5.130 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)c1ccc(C#N)s1 466916921 YDKHFOIDWDJUAB-SNVBAGLBSA-N 432.368 5.305 30 20 IKED Cc1ccccc1-n1ncc(C(=O)Nc2cc(F)c(OC(F)F)cc2F)c1C(F)(F)F 468221065 LBZSVHZSGKOPEY-UHFFFAOYSA-N 447.310 5.331 30 20 IKED CCN(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[C@@H](C)c1cc2ccccc2o1 470531054 JDVFPPYWJNETQE-SFHVURJKSA-N 444.535 5.631 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N(Cc3ccccc3)C3CCCCC3)ccc21 470547274 CQJLUGUQHJBLIQ-UHFFFAOYSA-N 444.579 5.636 30 20 IKED C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 473631032 KDJJYLBANUCXCG-AUMHUTNHSA-N 433.533 5.313 30 20 IKED CCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 476664897 VDGNIVGJGKEGDJ-UHFFFAOYSA-N 435.846 5.006 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1ccc(OC)c(Br)c1 476874178 QBFYPTXHFFFBJK-MRXNPFEDSA-N 449.393 5.084 30 20 IKED C[C@@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1nc(C(C)(C)C)cs1 477467020 BJDGBFZNKUFSPE-FAEJEUNOSA-N 426.586 5.063 30 20 IKED C=C(C)Cn1c(SCC(=O)N2CCC[C@H]2c2ccccc2Cl)nnc1-c1ccco1 480512530 GNQWDADCVHTIBC-SFHVURJKSA-N 442.972 5.223 30 20 IKED N#CCCCOc1cccnc1NC(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 481428100 SCZREHGMNXLXGZ-QGZVFWFLSA-N 432.446 5.194 30 20 IKED Cc1ccc(F)c(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1Br 484681286 QSDRJTVBKRDORB-UHFFFAOYSA-N 429.245 5.193 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 484797228 KAPXNDAXGQJHEP-OAQYLSRUSA-N 447.583 5.287 30 20 IKED C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@H]1CCN(Cc2ccccc2)C1 490274828 OXYVSGVNNUOXMP-OFNKIYASSA-N 441.600 5.350 30 20 IKED N#Cc1cccc(-c2cnc(CNC(=O)[C@H](Sc3ccccc3F)c3ccccc3)[nH]2)c1 493919877 KQTQMHJMSWJZMO-XMMPIXPASA-N 442.519 5.237 30 20 IKED CCc1c(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cnn1CCC(C)C 494549637 RHEBINTVFRACCP-UHFFFAOYSA-N 445.567 5.781 30 20 IKED COc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c2cccnc12 498298301 GHIVXTGOWVRHCZ-UHFFFAOYSA-N 425.513 5.660 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(OC(F)F)c(OC)c1 500106122 CKSAWDKCLVPZFQ-UHFFFAOYSA-N 444.247 5.027 30 20 IKED CC(=O)N1CCc2cc(NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)ccc21 502229468 FYUOHKYFGIIDTD-QFIPXVFZSA-N 444.922 5.548 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1cccs1)Cc1cccs1 503223582 GXLNMHLYWSRWNZ-INIZCTEOSA-N 427.620 6.296 30 20 IKED C=CCOc1ccc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)cc1OC 503783490 XCLOOTCWQNHKQV-UHFFFAOYSA-N 441.915 5.014 30 20 IKED Cc1ccc2nc(COc3ccc(C(=O)N4CC=C(c5ccc(C#N)cc5)CC4)cc3)cn2c1 503825678 HZSXIJGTDDWXIJ-UHFFFAOYSA-N 448.526 5.023 30 20 IKED Cc1onc(-c2cccc(Br)c2)c1C(=O)[C@H](C#N)c1nc2ccccc2s1 504552174 AMQUUCCOJIEUPE-AWEZNQCLSA-N 438.306 5.512 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(Br)cs2)cc1 505617668 DMPSOLYTYQRXRB-UHFFFAOYSA-N 429.295 5.435 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1csc(-c2ccsc2)n1 506100601 DTDFUBMGHNJGRF-UHFFFAOYSA-N 444.582 5.660 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2ccc(F)cc2)C(C)C)cc1 509958079 SNEJWJXFUUQSOX-UHFFFAOYSA-N 433.483 5.941 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1Cl 510022086 BKNCCKPRJBNBSB-GGAORHGYSA-N 448.954 5.547 30 20 IKED C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 510218670 TZDVMJOPCABEID-ZDUSSCGKSA-N 438.896 5.301 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)c2)c1 511474799 JSURZADTXIQFJY-LPHOPBHVSA-N 430.430 5.053 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2nc(-c3ccccc3)cs2)cc1 512320291 PZGFHNPSIJFPHB-UHFFFAOYSA-N 427.504 5.663 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1csc(-c2cccc(OC)c2OC)n1 512521996 MXSPQZMXIVFTLL-UHFFFAOYSA-N 426.586 5.183 30 20 IKED COc1cc(F)c([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC 512528104 CCYZJTDWZNYGRS-HNNXBMFYSA-N 435.455 5.390 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)cc1 512531501 VXTDNIBDWAQLQK-UHFFFAOYSA-N 446.551 5.400 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 513677122 QTJWYGPYTJILLC-MRXNPFEDSA-N 432.823 5.407 30 20 IKED C=CCn1c(SCc2nc(COc3cc(C)cc(C)c3)no2)nnc1-c1ccccc1 513786261 CNLBUOVWROPTOD-UHFFFAOYSA-N 433.537 5.002 30 20 IKED C=CCOc1cccc(NC(=O)C(=O)N[C@H](c2ccc(C(C)C)cc2)c2cccs2)c1 516288943 DWGPGSNNNIWHNY-HSZRJFAPSA-N 434.561 5.281 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(C)CCCc1cc(-c2ccccc2)no1 518683647 ZBVCXMPDPKVAQL-GOSISDBHSA-N 434.565 5.690 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2ccco2)nc1O 518946344 PIRDPFOXZVIZHQ-UHFFFAOYSA-N 427.435 5.213 30 20 IKED C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(OCc2ccccc2)cc1 519406918 FTDIITRWRZGPMD-GOSISDBHSA-N 438.574 5.318 30 20 IKED N#C[C@@H](NC(=O)COC(c1ccccc1)c1ccccc1)c1ccc(Cl)c(Cl)c1 521017163 DTFAXOPVMMJRGC-OAQYLSRUSA-N 425.315 5.480 30 20 IKED CCc1ccccc1NC(=O)CN(C)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 523881724 PECFRFYRMSDURI-UHFFFAOYSA-N 447.922 5.277 30 20 IKED Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 524375182 BMDKKPQNZICURS-UHFFFAOYSA-N 448.479 5.006 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F 525048204 ZPTNLCDQPJHRKM-UKRRQHHQSA-N 426.410 5.732 30 20 IKED COc1ccc(CNc2ccnn2Cc2ccc(Cl)c(F)c2)cc1OCCCC#N 532173280 SAMCTSQFXDEFCT-UHFFFAOYSA-N 428.895 5.027 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](C4CCOCC4)C3)cc2Cl)cc1 532850348 ZQGOZBYWUYYKEU-SFHVURJKSA-N 425.916 5.284 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1Cc2ccccc2-c2ccccc2C1 532947270 QLCZLJWUSVHIKN-LJQANCHMSA-N 427.573 5.702 30 20 IKED CN1C(=O)CCc2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)ccc21 536156914 DJLFAPNCPZUZAD-NRFANRHFSA-N 429.907 5.157 30 20 IKED COc1ccc(CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1OCCCC#N 536708730 PNIMXVGRRCCQQZ-LJQANCHMSA-N 425.598 5.093 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C)n(-c4ccc(C)cc4)n3)n2)cc1 537477440 MHYHKLDRACYSRP-FQEVSTJZSA-N 428.517 5.111 30 20 IKED CN1CCC[C@H](CNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)[C@@H]1c1cccs1 538064819 ZASODLBGIWIKPQ-RCZVLFRGSA-N 444.604 5.169 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(C)n(C2CCCCC2)n1 538441244 NSKVPCAPAVRDIS-UHFFFAOYSA-N 428.536 5.708 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2[C@@H](C)CC[C@H]2CC)c1 538993738 YPYYXMZVOIKOTR-PKOBYXMFSA-N 447.000 5.124 30 20 IKED COc1cc(F)c(NC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1OC 540553493 IOMFVERMAOWJDP-OAHLLOKOSA-N 440.315 5.287 30 20 IKED CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 542981051 WTRBPKPGAFULSB-UHFFFAOYSA-N 441.900 5.058 30 20 IKED CC(=O)c1ccc(Oc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc2)cc1 543057579 JRPUGDYCYUPIIY-QHCPKHFHSA-N 438.508 6.295 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 543351272 WHXWALVDTDCVNS-INIZCTEOSA-N 434.540 5.565 30 20 IKED C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)c2)C1 548803335 TVMWVGZJLCDRNL-NFBKMPQASA-N 432.568 5.266 30 20 IKED CC(C)c1ccc([C@@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)c2cccs2)cc1 548822833 ZSOPAKKTXSGNEH-XMMPIXPASA-N 444.604 5.623 30 20 IKED CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 549200095 LWOCLKBJVLVLJL-HXUWFJFHSA-N 440.543 5.913 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1Cl 550289522 BKUWQQNUMVMPTD-NRFANRHFSA-N 446.894 5.494 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H](C)[C@@H]1OCCc2sccc21 550573779 JMUXYNZVRUDAQY-OSPHWJPCSA-N 434.536 5.551 30 20 IKED CC1(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)CCN(c2ccc(Cl)cc2C#N)CC1 553408048 KQFWGUYBOARONX-WBVHZDCISA-N 441.925 5.303 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@@H]2CCO[C@@H]2c2ccccc2)c1 563656497 LRDTVPOTJIQOKV-YADARESESA-N 432.907 5.512 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 583232588 WYHDLNGOXLEVED-UHFFFAOYSA-N 425.579 5.302 30 20 IKED N#CCCC[C@H](NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1 590477756 IAKIUKLPAOPWLA-FQEVSTJZSA-N 443.494 5.923 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)NC1(c2ccc(F)cc2)CCC1 590855212 JZPZDDYYJXDLKC-STQMWFEESA-N 426.376 5.414 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(NC(=O)C4CCCCC4)c3)cn2)c1 603623524 YZYDSJJAUUFHHV-UHFFFAOYSA-N 440.503 5.517 30 20 IKED Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603764350 MJOZTTNRAFHVOW-UHFFFAOYSA-N 430.851 5.615 30 20 IKED N#C[C@@]1(NC(=O)c2cc(-c3cccs3)n(-c3cc(Cl)cc(Cl)c3)n2)CCSC1 603887101 XLQQUMVXVLPUML-IBGZPJMESA-N 449.388 5.037 30 20 IKED N#Cc1ccccc1CSCCNC(=O)Nc1ccccc1CN1CCc2ccccc21 604085469 AFCMAUXHPFSEJI-UHFFFAOYSA-N 442.588 5.176 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(F)c(Cl)cc3Cl)cc2F)c1 609104275 UFBDJPRTPFDXLM-UHFFFAOYSA-N 433.241 5.975 30 20 IKED N#CCn1c(C(=O)Nc2cccc(COCCOc3ccccc3)c2)cc2ccccc21 609165476 JKTVGOZZAHSUKG-UHFFFAOYSA-N 425.488 5.013 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 609213500 QINSFCMZGNAFRY-JOCHJYFZSA-N 446.551 5.596 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(F)c(Br)c1 609398639 HFTVVAKHYSHDFK-QWHCGFSZSA-N 436.350 5.723 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C)c1cccc(Cl)c1Cl 609813045 RAJVSHCIAXCDNT-CHWSQXEVSA-N 436.364 5.061 30 20 IKED COc1ccc2[nH]cc(C3=CCN(C(=O)c4cccc(Nc5ccc(C#N)cc5)c4)CC3)c2c1 609986873 JFFNXRYFZKZMRM-UHFFFAOYSA-N 448.526 5.721 30 20 IKED Cc1cc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)ccc1OC1CCOCC1 610000618 GIXLJOUOLIBAPQ-UHFFFAOYSA-N 427.504 5.420 30 20 IKED N#Cc1c(NC(=O)c2ccc(OC3CCOCC3)cc2)sc2c1-c1ccccc1CC2 610224898 GEGKFBQZWBUCHY-UHFFFAOYSA-N 430.529 5.195 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1)c1cccc(C#N)c1 610385335 GCIIODCGELFKQM-OAHLLOKOSA-N 435.936 5.179 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1 611357284 RFFVGPYZONSIKV-VXKWHMMOSA-N 433.552 5.002 30 20 IKED N#C[C@H](C(=O)c1cc2c(Cl)cccc2s1)c1nc(O)c2c3c(sc2n1)CCCC3 612941625 GYUPCOZWLNTVBS-GFCCVEGCSA-N 439.949 5.634 30 20 IKED N#Cc1ccc(CN2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)cc1F 616754307 ZHVPIMFWBXNDKJ-VWLOTQADSA-N 434.559 5.386 30 20 IKED N#Cc1cc(C(=O)N2CCC(F)(c3ccccc3OC(F)(F)F)CC2)ccc1Cl 619608300 ZUIGVXOZAHIEPS-UHFFFAOYSA-N 426.797 5.211 30 20 IKED C[C@H](CC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 619622546 XYUGPXBVZQWSTH-HONMWMINSA-N 435.330 5.788 30 20 IKED CC(C)Oc1ccc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(F)c1 623022469 QTLIJRQNNYIDBY-GDNZZTSVSA-N 430.364 5.644 30 20 IKED C=CCN(C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1nc2c(s1)CCCC2 623331696 HOCRSEFTBBIUIP-UHFFFAOYSA-N 434.590 5.564 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2F)C(C)C)nnc1-c1ccccc1OC 639430226 ZCQHWPZBSPSZJX-FQEVSTJZSA-N 440.544 5.034 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(OC2CCCCC2)CC1 670211971 YRLSBSFFYANQCK-LJQANCHMSA-N 442.579 5.451 30 20 IKED O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 672784312 HTFGAYCWSVNOTI-CHWSQXEVSA-N 448.329 5.119 30 20 IKED O=C(c1cnc2ccccc2c1C(F)(F)F)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674466828 PEQKEQUDGXQFMK-PHIMTYICSA-N 430.270 5.066 30 20 IKED Cc1c(NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)nn2c(C(F)(F)F)nnc2c1C 676412093 YIERAJPOFAQWKA-RKDXNWHRSA-N 449.321 5.081 30 20 IKED O=C(Nc1ccc(Cl)cc1OC(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 680832406 LHKHBDMEPWJVQJ-YUMQZZPRSA-N 440.718 5.536 30 20 IKED O=C(CCCc1cccc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 681132459 NQNXZERNLNLTRL-OKILXGFUSA-N 435.330 5.617 30 20 IKED Cc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(O)c2)cc1C 726572120 SNQFKZMDSBLGSY-UHFFFAOYSA-O 436.944 5.145 30 20 IKED Cc1oc2nc(SCc3ccc(OCC#N)cc3)nc(NC(=O)c3ccccc3)c2c1C 729240606 FYLKFOGSPGYWOK-UHFFFAOYSA-N 444.516 5.287 30 20 IKED C[C@@H](SCCCOc1ccc(C#N)cc1)c1nc(O)c2c(-c3ccco3)csc2n1 729856131 YORXWUPYOPADOS-CQSZACIVSA-N 437.546 5.792 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 731069897 JJPDNWHAEIRFCI-INIZCTEOSA-N 449.576 5.513 30 20 IKED C#CCN(Cc1coc(-c2cccs2)n1)[C@@H]1CCOc2ccc(Br)cc21 733195384 MDMFVZQDXUIFME-QGZVFWFLSA-N 429.339 5.125 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc3nc(SC)sc3c2)ccc1OC 733617762 LVKNVKGGPCFPNN-OAHLLOKOSA-N 442.566 5.029 30 20 IKED CC[C@@H](C#N)Oc1cccc(CN[C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)c1 733798236 RVOJKIGXMNNYKV-BKMJKUGQSA-N 443.547 5.154 30 20 IKED Cc1ccc2ncccc2c1S(=O)(=O)O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F 734153475 GCKXEBJFSYLFKY-QGZVFWFLSA-N 429.847 5.076 30 20 IKED COc1ccc(COCCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 737322851 LRFNIQYGUCYQRL-INIZCTEOSA-N 434.439 5.107 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)cc1OC 741202887 IKVRSNLPXAYLPE-JXMROGBWSA-N 437.536 5.026 30 20 IKED COc1ccccc1-c1ccc([C@@H]2NC(=S)NC(c3ccc(C)cc3)=C2C(C)=O)cc1 741654457 ZZJJNZXNVSGKHA-VWLOTQADSA-N 428.557 5.190 30 20 IKED COC(=O)C[C@H]1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)c2ccccc21 741697907 IDEJPQCHKCYUSK-FQEVSTJZSA-N 442.540 5.158 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\C(=O)c3ccsc3S[C@H]2C)cs1 742436556 LQCTWPJUKBDLFU-PKSBALPTSA-N 447.006 6.303 30 20 IKED CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccc(C#N)o2)NC(=S)N1c1ccccc1 743738099 AMEOMSQIYCKLDW-OAQYLSRUSA-N 448.935 5.153 30 20 IKED C=CCc1cc(/C=C(\Cl)c2nc(O)c3c4c(sc3n2)CCCC4)cc(OC)c1O 747063476 LROBPEYWKVYNPS-GDNBJRDFSA-N 428.941 5.455 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 747108788 SGMJWDNCOQBUOI-OAHLLOKOSA-N 449.841 5.443 30 20 IKED Cc1ccc([C@@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)N2CCCC2)cc1 747295542 UNCOMNCLNRDDJA-KAYWLYCHSA-N 438.575 5.609 30 20 IKED C/C(=C/C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 748390771 WSDIVTHJBBDPGT-YARYAAFXSA-N 448.416 5.126 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 748648368 IFIUBXHTBXHUSF-XMMPIXPASA-N 431.561 5.225 30 20 IKED COc1cc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)ccc1OCC(F)(F)F 750896020 LQNYAGFRKYWDEK-LICLKQGHSA-N 436.455 5.145 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1Cn1nc(C2CC2)n(Cc2ccccc2)c1=S 751931939 LTHSUTFWVDYLQX-DHIUTWEWSA-N 429.593 5.069 30 20 IKED Cc1sc2ncn(N=Cc3ccc(-c4ccncc4)cc3F)c(=O)c2c1-c1ccccc1 752722717 QONTVWUYUWTLOO-UHFFFAOYSA-N 440.503 5.517 30 20 IKED N#Cc1ccc(C(=O)COC(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)cc1 753477841 GGRRXUOSRAYZPP-UHFFFAOYSA-N 427.243 5.092 30 20 IKED Cc1nc(COC(=O)c2cnn(CCC#N)c2-c2ccccc2)oc1-c1ccc(Cl)cc1 759054760 NUUNCDZCLFXETO-UHFFFAOYSA-N 446.894 5.438 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C/c3ccc(F)c4cccnc34)SC2=S)cc1Cl 759116475 HDANYXBJKSHBLF-IUXPMGMMSA-N 425.897 5.305 30 20 IKED CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)[C@@H](C#N)c1nc2ccccc2n1C)OCC3 759182151 UTNVEICLFYYKEB-HRFSGMKKSA-N 440.547 5.062 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cnn(Cc3ccccc3)c2)cs1 760271155 ZMOWPXZRSYHGMI-XFXZXTDPSA-N 446.507 5.108 30 20 IKED CC(C)[C@H]1CCCN1c1ccc(NC(=O)CCCC(=O)Nc2ccccc2C#N)cc1F 760422148 HEDXWPTZBUIOBN-JOCHJYFZSA-N 436.531 5.070 30 20 IKED CN(Cc1ccccc1)Cc1cccc(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)c1 764313144 DLOKROGWUFXHFG-UHFFFAOYSA-N 434.883 5.004 30 20 IKED Cc1sc2ncn(N=Cc3ccc(F)cc3Br)c(=O)c2c1-c1ccccc1 767760311 HJQADLJNRWPXOI-UHFFFAOYSA-N 442.313 5.217 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@H](NCc1c(F)c(F)c(F)c(F)c1F)C(F)(F)F 768741087 IPQMWEBQYKGSGQ-IBGZPJMESA-N 449.345 5.578 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2CCC(=Cc3ccc(F)c(F)c3)CC2)c1=S 768906569 JCASROVPXLLUDO-UHFFFAOYSA-N 439.535 5.077 30 20 IKED CC[C@@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cc(C)ccc1OC 772501353 PHFSHIMBBGKMPX-HXUWFJFHSA-N 449.507 5.034 30 20 IKED Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 773727137 MKIRYVIMYZBVCY-UHFFFAOYSA-N 426.907 5.303 30 20 IKED Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3ccccc3O[C@H](C)C#N)[C@@H]2c2cccs2)cc1 780150615 VVHJRZZBTNMLCH-YIGJPRQDSA-N 445.544 5.080 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CCCc2cn(C(C)C)nc21 780423174 YYWRHAWMIZLIJM-DEOSSOPVSA-N 443.551 5.422 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N(C)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 780669433 CLJDHBFLNHSHKP-MWTRTKDXSA-N 437.902 6.023 30 20 IKED C[C@H](NC(=O)Nc1ccccc1O[C@H](C)C#N)c1ccc(OCc2ccc(F)cc2)cc1 780678034 KDTNJPLPWZMSEO-MSOLQXFVSA-N 433.483 5.578 30 20 IKED COc1ccc(C[C@@H](C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC 781447496 JBIVBROBMAIHMN-IUODEOHRSA-N 448.466 5.387 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 781449300 ZGXZDHCYXZCUSX-KSFYIVLOSA-N 437.499 5.156 30 20 IKED COc1cc([C@@H](C)NC2CCC(Oc3ncccc3C#N)CC2)ccc1SC(F)F 783331311 POSZAYYXQCZEDW-RWBZWWBESA-N 433.524 5.317 30 20 IKED Cc1cc(SC2CCCCC2)ccc1NC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N 783963949 JOFCTYPEALVHGE-QGZVFWFLSA-N 437.565 5.288 30 20 IKED Cc1cc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1OC(C)C 785007057 OTYGFROKSCKISQ-HSZRJFAPSA-N 427.504 5.015 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])c2)c1 790537286 CUKIULKSKVZKHW-UHFFFAOYSA-N 439.830 5.019 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)c3cc(C#N)ccc3Cl)cc2C(F)(F)F)C[C@H](C)O1 796093161 INUMRLBVWXIIIV-STQMWFEESA-N 437.849 5.096 30 20 IKED C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 797615434 HETQPZGWSNCWDS-FOIQADDNSA-N 435.911 5.159 30 20 IKED COc1ccccc1NC(=O)c1cc2ccccc2cc1OC(=O)c1cc(C#N)oc1C 797940610 FTOFEAZGCNEUMS-UHFFFAOYSA-N 426.428 5.093 30 20 IKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(CC(F)(F)F)C2=O)cc1 799214840 OQJYBENRZYDMDL-GOSISDBHSA-N 449.498 5.134 30 20 IKED C[C@@H](NC(=O)[C@@H](C#N)C(=O)c1ccc2c(c1)CCCCC2=O)c1ccc(Cl)cc1Cl 810709476 BKMDYWJZTMSEJR-YJYMSZOUSA-N 443.330 5.102 30 20 IKED Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C\c1cn(C)nc1C(F)F 812243659 QYSQCDSESNOTBG-FPLPWBNLSA-N 438.297 5.448 30 20 IKED CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(c3nc(-c4c(Cl)cccc4Cl)no3)C2)C1 904306916 OGJKHBKDOZDBGP-BXWNDJAQSA-N 449.338 5.298 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2OCc2cscn2)cc1 915085171 HYLFBAKOWBYRNQ-QHCPKHFHSA-N 425.513 5.630 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc3c(C(F)(F)F)cc(O)nc3o2)cc1 915199534 DYQPHLDKZZPLNM-KRWDZBQOSA-N 437.377 5.460 30 20 IKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc2ccccc12 916217627 RVMJFMOVFULVJR-JOCHJYFZSA-N 447.560 5.219 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1C=Nn1cnc2sc(C)c(-c3ccccc3)c2c1=O 916284028 HUXYJMLGADHLFR-UHFFFAOYSA-N 439.544 5.118 30 20 IKED CC(C)(C)c1ccc(OCC(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 916882780 CPEOAPLPWZTHBE-GOSISDBHSA-N 432.492 5.025 30 20 IKED N#C[C@H](C(=O)CCc1ccc2ccccc2c1)C(=O)Nc1ccccc1Oc1ccccc1 917426791 QGHXKLLFGOXPEZ-XMMPIXPASA-N 434.495 5.912 30 20 IKED C[C@@H](OC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1)C(=O)N(CCC#N)c1ccc(F)cc1 919204487 JDLVEGAQSKJONU-GFCCVEGCSA-N 448.281 5.106 30 20 IKED Cc1cc(C(=O)COC(=O)C(C)(C)C#N)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 919350066 DEDWGQSXMCROIP-UHFFFAOYSA-N 426.822 5.042 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)cc1OC 919870290 HAKJBRDOHGESHQ-KOTDBNOLSA-N 443.927 5.123 30 20 IKED Cc1nc(CSc2ccc(C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cc2)cs1 920105982 PEWWSNJCFMYFTP-HXUWFJFHSA-N 445.569 5.739 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3ccc(Cl)s3)nc2C)cc1 921130735 CHLDYHUFIMEBTC-CQSZACIVSA-N 429.954 5.357 30 20 IKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)S)CCC3)cc2)cc1Cl 1790611080 BPTDSDXDJQYWNI-HNNXBMFYSA-N 447.000 5.193 30 20 IKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3ccc(F)cc3)cc1F)C2 1801643646 OLYQDFLRRQQZNF-ZIPUMODLSA-N 438.518 5.096 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(Cl)s2)CC1 1825033820 WFRBAQMYLRIHDR-NHCUHLMSSA-N 449.060 5.332 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncccc2-c2ccccc2)CC1 1827875997 RNBXDUMMLUUQON-BWKNWUBXSA-N 445.607 5.194 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(C#N)cc2)ccc1OCC(=O)Nc1ccccc1Cl 16405978 YIEQUJIFFNAEQP-XYOKQWHBSA-N 446.890 5.134 30 20 IKED CCN(CC)c1ccc(-c2nnc(SCc3c(C#N)c(C)nn3-c3ccccc3)o2)cc1 18482795 ILPMQTKQAZUIOO-UHFFFAOYSA-N 444.564 5.241 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)n1 21514889 STIOKZZCKABZLB-OAHLLOKOSA-N 441.478 6.067 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc4c(c3)Cc3ccccc3-4)s2)cc1 33151003 MIOVQJBQSJHGQI-UHFFFAOYSA-N 440.553 5.526 30 20 IKED Cc1c(C#N)c(NC(=O)CCSCc2cccc(Cl)c2)n(Cc2ccco2)c1C 63128349 VDUDVAOEAKKKOQ-UHFFFAOYSA-N 427.957 5.533 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 64254427 QDAPKUYCQCXUAA-VWLOTQADSA-N 431.486 5.518 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)c1 78876347 URCQYHRJQZYEKQ-UHFFFAOYSA-N 437.515 5.404 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(OC(F)F)c(OC)c2)cc(Br)c1O 206081224 CNNQBJCFRANTGH-XQRVVYSFSA-N 443.240 5.060 30 20 IKED N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC(OCc2ccc(F)cc2)CC1 301914836 FZIYHMBLYOWZRM-UHFFFAOYSA-N 427.426 5.033 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3cccc4ccccc34)o2)cc1 303844988 IZLXDCKRBMJXND-SFHVURJKSA-N 442.544 5.626 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3ccc(OC)cc3)no2)nnc1-c1cccs1 428331169 FDKLORPHQNTUEL-ZDUSSCGKSA-N 425.539 5.105 30 20 IKED N#Cc1c(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)sc2c1-c1ccccc1CC2 433875975 XLIGCOIPDSUWTG-UHFFFAOYSA-N 438.512 5.565 30 20 IKED CC(C)COc1ccc(NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1Cl 437425484 HFWROBCDGOOOGU-OAHLLOKOSA-N 445.972 5.204 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN([C@H](C)c2ccc(Cl)cc2)CC1 438068488 CTLCNRKBDWIZDS-QZTJIDSGSA-N 443.016 5.502 30 20 IKED CN(C[C@@H]1CCCOC1)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 438517617 UUTFKRYQDFLUAK-HNNXBMFYSA-N 433.430 5.260 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1cccc(CO[C@H]2CCC[C@H](C)C2)c1 439572788 QMUJTJIOEKDZDR-HFMPRLQTSA-N 449.595 5.538 30 20 IKED C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CSc1ccccc1C#N 439696809 TXBNZXPOUHTFRR-SFHVURJKSA-N 429.545 5.122 30 20 IKED O=C(CN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)Nc1cc(F)ccc1F 444737458 QICXNPOOAUKPTK-HNNXBMFYSA-N 426.307 5.205 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(Br)cc2Cl)c1C#N 445557680 LDOOPWXIXRNUBW-UHFFFAOYSA-N 447.745 5.134 30 20 IKED C=CCN(C(=O)CCCc1cc(Cl)sc1Cl)c1nc(C(=O)OCC)cs1 445912592 LGPCUSMOCHOYHF-UHFFFAOYSA-N 433.382 5.230 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 447034466 RRUPSSHVWQOZRB-SBUREZEXSA-N 447.535 5.064 30 20 IKED CN(C)[C@H]1CCOc2c(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)cccc21 447731279 SDRPPFSUZUQXPZ-QFIPXVFZSA-N 429.545 5.347 30 20 IKED C[C@@H](C#N)CSc1ccccc1NCc1cc(Br)ccc1OC(F)F 462233225 COAAGDRBIUSYCD-LBPRGKRZSA-N 427.314 5.914 30 20 IKED CCOc1ccc(N(C(=O)[C@@H](C)c2cccc(C#N)c2)c2nc3ccccc3s2)cc1 463069816 LTLHLWPPLLKKJX-KRWDZBQOSA-N 427.529 6.035 30 20 IKED Cc1nc(COc2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)cc2)no1 464985956 MQJOBRGUKBMRFO-UHFFFAOYSA-N 440.459 5.182 30 20 IKED Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 468162949 CMYOILJCRHSKDP-GOSISDBHSA-N 447.558 5.430 30 20 IKED CC(C)(OCC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)C(F)(F)F 469387510 AITWTKBXLZYNSE-UHFFFAOYSA-N 440.315 5.328 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1 469689172 FVEZKDXZTFWMKZ-HYBUGGRVSA-N 443.547 5.122 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F 470243247 LKILAXXSPUKDHR-UHFFFAOYSA-N 431.458 5.138 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCC[C@@H]3c3cccc(Cl)c3)ccc21 470561988 YCSVZHIJDNMIEL-OAQYLSRUSA-N 436.943 5.292 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccc2nc(C(F)(F)F)cn2c1 471722602 CBMUJKKRLLMNBV-UHFFFAOYSA-N 449.326 5.022 30 20 IKED Cc1c(I)cccc1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 472398462 RKGAPCGWVRDVPV-HNNXBMFYSA-N 444.297 5.213 30 20 IKED C[C@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1nc(C(C)(C)C)cs1 477467021 BJDGBFZNKUFSPE-ZLPCBKJTSA-N 426.586 5.063 30 20 IKED C[C@H]1CCCCN1CCCCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481684526 JZBZEGUVIASWPM-IBGZPJMESA-N 438.547 5.052 30 20 IKED Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 490648333 JXKCKEKKGUECSS-UHFFFAOYSA-N 440.528 5.411 30 20 IKED Cc1cccc(CN(Cc2ccco2)C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c1 504742682 RESDLVZMMKUDRP-UHFFFAOYSA-N 431.511 5.044 30 20 IKED CC[C@@H]1C[C@@]1(NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(C)c1 504859220 SNKKBYKOMFFANI-IBVKSMDESA-N 430.552 5.025 30 20 IKED N#C[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1cccc(Cl)c1Cl 505320643 MFVRXOBMRLIAOZ-INIZCTEOSA-N 436.245 5.240 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(NC(=O)NC(C)C)cc2)cc1 505673643 NHFJCKZLHIYCNM-UHFFFAOYSA-N 444.491 5.141 30 20 IKED COc1ccccc1N1CC[C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 506638952 ZQLZFRHCRGEFQY-HXUWFJFHSA-N 442.519 5.007 30 20 IKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 509671911 RURGMMPXDVZYHN-UHFFFAOYSA-N 433.533 5.957 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(Br)ccc2F)cc1 512544191 FSSRJPJDCWTFEQ-UHFFFAOYSA-N 441.256 5.513 30 20 IKED C=CCN(C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1nc2c(s1)CCCC2 512594714 DAJMQQDWMZAKMA-UHFFFAOYSA-N 433.364 5.347 30 20 IKED C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 515436851 FBWFFEJNYWSNGD-UHFFFAOYSA-N 448.468 5.026 30 20 IKED COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 515651496 RLOJTNSDXOVVPW-SFHVURJKSA-N 432.545 5.460 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F 517461262 SJHUOVUUHGLSRM-CQSZACIVSA-N 430.455 5.395 30 20 IKED N#CCCSc1ccccc1NC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 518122277 SFWKFFZECOTSPJ-UHFFFAOYSA-N 431.546 5.254 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1ccc(C(F)(F)F)cc1 518656380 RPNJGFGOQDKXJF-LSDHHAIUSA-N 438.540 6.390 30 20 IKED CCOc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 519196465 CWVVUDIYBNXLQR-VWLOTQADSA-N 427.504 6.118 30 20 IKED COc1ccc(CCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1Br 519515651 PZJKFPLGQOYMCW-CQSZACIVSA-N 433.371 5.423 30 20 IKED N#Cc1cc(C(=O)N2CCCc3cc(OCc4ccccc4)ccc32)cnc1C(F)(F)F 519559725 WGBSUYOKVAPIEC-UHFFFAOYSA-N 437.421 5.144 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C 520132607 IRDGAYNOGQYYIX-KRWDZBQOSA-N 436.537 5.486 30 20 IKED Cc1ccc(CN(CCc2ccccc2)C(=O)Nc2ccccc2S[C@H](C)CC#N)s1 520194884 JFPXEODQJDAKCS-HXUWFJFHSA-N 449.645 6.728 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)c2ccccc2COc2ccccc2)CC1 520337790 GDJYHOARFTWTQI-UHFFFAOYSA-N 426.516 5.257 30 20 IKED N#C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Cl)c(Cl)c1 521015334 YBPROSPCMGKDLS-HNNXBMFYSA-N 433.276 5.020 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 521209711 HRYYQBFYJUXNCQ-NRFANRHFSA-N 441.959 5.460 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CCc3ncc(-c4ccccc4Cl)o3)cc2)c1 521792377 IIWFIWQRKPFIRX-UHFFFAOYSA-N 443.890 6.230 30 20 IKED CC1CCN(Cc2csc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)n2)CC1 522396986 CTSURAGOQWSBNG-UHFFFAOYSA-N 446.576 5.078 30 20 IKED C=CC1CCN(C(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)CC1 523621345 VFJHXABKJBOOLE-UHFFFAOYSA-N 429.398 5.567 30 20 IKED CC(C)COC[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccco1 523941417 IUZVBFATTDQHIU-XMMPIXPASA-N 449.526 5.416 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 524566169 PGHZVYYBJAOWOZ-RBUKOAKNSA-N 435.618 6.795 30 20 IKED CCOC(=O)[C@H]1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c2ccccc21 527082610 AOTHDTIDLWJLON-QHCPKHFHSA-N 426.472 5.048 30 20 IKED CCc1noc(CC)c1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 531774704 YECZJNNODKBRJW-UHFFFAOYSA-N 438.915 5.225 30 20 IKED N#Cc1cccc(COc2cccc(CN[C@H](c3cccc(Cl)c3)c3ccccn3)c2)c1 532374052 UJIBCCDGTFPSPA-HHHXNRCGSA-N 439.946 6.065 30 20 IKED Cc1ccc(C(=O)C2CCN(CC(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)c(C)c1 532905278 UZDLBOCEVAIEIN-HXUWFJFHSA-N 449.620 5.231 30 20 IKED N#CC1(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccccc2Cl)CC3)CCOCC1 533870906 LZSOKSMZEHPKLI-OBGWFSINSA-N 443.934 5.178 30 20 IKED CC(C)Cn1ncc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C(F)F 535568009 WOWRYOKJMNVYFZ-UHFFFAOYSA-N 429.311 5.767 30 20 IKED N#CCC1CCN(C(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)CC1 541975382 MZSDHHLYNLYBGK-UHFFFAOYSA-N 431.323 5.403 30 20 IKED C=CCN(C(=O)Nc1ccccc1COC(C)(C)CC)[C@H](C)c1cccc(-n2cnnn2)c1 542718269 MLYXXYGXWHXABE-LJQANCHMSA-N 448.571 5.149 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(C)n(Cc2ccncc2)c1C 547290996 YOKBHDSNBVQNAM-UHFFFAOYSA-N 436.515 5.773 30 20 IKED C=C(C)Cn1c(Cc2cccc3ccccc23)nnc1N1CC[C@]2(C1)OCc1ccccc12 549290463 BTWGYGSFTZPBRG-MUUNZHRXSA-N 436.559 5.234 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(c2ncc(C)s2)CC1 549678429 UTJVNRQGYCOPJQ-UHFFFAOYSA-N 444.004 5.332 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nc(CN2CCCCC2)cs1 550336355 GKJFCKLAQNGCRN-UHFFFAOYSA-N 434.590 5.404 30 20 IKED O=C(c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)N1CCC[C@](O)(C(F)(F)F)CC1 561252687 JVIBAZCRGDGDSX-LJQANCHMSA-N 449.366 5.431 30 20 IKED CC1(C#N)CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2ccccc2)CC1 565787238 BVXBXLGZWZEQHO-UHFFFAOYSA-N 438.000 5.402 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)Nc3cccc4c3CN(c3ccccn3)C4)cc2)ccn1 570438581 HGXKAGVILQKFGC-UHFFFAOYSA-N 448.486 5.305 30 20 IKED O=C(c1cc(F)c(Br)c(Cl)c1)N(CCC(F)(F)F)CC(F)(F)F 573467388 VYPJSVPLKIKBFO-UHFFFAOYSA-N 430.545 5.199 30 20 IKED CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)c2cc(-c3cccc(C#N)c3)no2)cc1 576905748 SUVJUTIHSUZPFF-SANMLTNESA-N 436.515 5.422 30 20 IKED C=CCN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1nc(-c2ccccc2)cs1 577295149 VKWWBMZMBDANIB-UHFFFAOYSA-N 446.551 5.256 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)c3cccnc3OCc3ccccc3F)n2)cc1 577336788 SYHTZLUJDQSNFL-UHFFFAOYSA-N 430.464 5.047 30 20 IKED C=CCOc1ccccc1-c1nc(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)no1 579890782 MJJWRASMSCZILH-ZDUSSCGKSA-N 432.307 5.028 30 20 IKED COCCOc1ccc(Cl)cc1-c1noc(-c2cn(CCCC#N)c3ccccc23)n1 589133941 IVABIMXOJHJSPI-UHFFFAOYSA-N 436.899 5.341 30 20 IKED C[C@@H](NC(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1nc2ccccc2n1C(F)F 591840870 JOBYCDJMNIXIHN-SNVBAGLBSA-N 448.342 5.968 30 20 IKED N#CCn1c(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc2ccccc21 591862304 OCWDWIPSCIFZNY-NFRJURENSA-N 440.572 5.579 30 20 IKED C=C(C)CN1CCC(NC(=O)c2oc3ccccc3c2CSc2ccccc2F)CC1 592075716 AZVMASAIMOAACO-UHFFFAOYSA-N 438.568 5.635 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3OCc3cscn3)cn2)c1 603623358 IEZKADHHTALPPH-UHFFFAOYSA-N 428.473 5.033 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1ccc(OC(F)(F)F)cc1 603739062 ODYNAKBEXFCLFA-UHFFFAOYSA-N 427.382 5.134 30 20 IKED CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 603766664 SHQDRVQQIMIDFL-IBGZPJMESA-N 437.908 5.878 30 20 IKED Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3sc(-c4ccccc4)cc3C#N)C2)c1 603969844 ZDIVSDYXQDKZFZ-FQEVSTJZSA-N 443.572 5.395 30 20 IKED COc1ccc(CCCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 609079155 MXMHELQPKNLVHD-UHFFFAOYSA-N 429.520 5.209 30 20 IKED Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 609438633 MSVSFHSBDBMASF-QZTJIDSGSA-N 443.016 5.691 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1N[C@@H]1CCN(c2ccccc2Cl)C1=O 609543836 WHCROWYFTDXEFN-OAHLLOKOSA-N 439.890 5.582 30 20 IKED COc1ccc(-c2cc(C(=O)N[C@H](C#N)c3ccccc3Br)sc2C)cc1 609593644 CXQAUOKSNHEGBL-LJQANCHMSA-N 441.350 5.489 30 20 IKED C=CCNC(=O)Nc1ccc(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 609634157 OXOYCCGQTGTYAV-UHFFFAOYSA-N 436.443 5.446 30 20 IKED CCCCCN(C(=O)c1ccc(C#N)nc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 609641098 RBBAMQMVIAZNMK-UHFFFAOYSA-N 445.375 6.221 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N(Cc2ccc(O)cc2)Cc2ccco2)c1 609710411 JIYIKQVIPRMFAG-UHFFFAOYSA-N 438.483 5.278 30 20 IKED Cc1cc(Cl)cc2nc(SCC(=O)Nc3ccccc3S[C@@H](C)CC#N)oc12 609750975 QSEXHKKGOMRMLB-ZDUSSCGKSA-N 431.970 5.915 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCS[C@H](c2ccccc2)C1 609807897 WZLGCMCKBHZEME-DEOSSOPVSA-N 429.545 5.981 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)CCSc3ncccc3Br)c2C#N)C1 609852102 ASPSTDDHOBBCOB-NSHDSACASA-N 436.400 5.023 30 20 IKED CC(C)C[C@@H](NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1 609937036 ZTVWSYFYJHHGEK-XMMPIXPASA-N 427.504 5.193 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCc4c(Cl)cccc4C3)c2)c1 610093962 ZOKOEHHBKHTMCI-UHFFFAOYSA-N 430.895 5.054 30 20 IKED COc1ccc(SCCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1OC 610116701 BBXDNPGUHACJLB-UHFFFAOYSA-N 449.532 5.192 30 20 IKED CN1CCC[C@H](CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@@H]1c1cccs1 610180721 OVCPSOCYJGXUBW-RCZVLFRGSA-N 445.588 5.012 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccc2nc(O)[nH]c2c1 611183326 UYVGMXWISVLNTG-ZDUSSCGKSA-N 432.867 5.077 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)c1C(F)F 611251992 GDMMBIAVDZTRPL-CYBMUJFWSA-N 428.405 5.152 30 20 IKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 611362935 AJOIGXGRYSTWJB-VPUSJEBWSA-N 439.559 5.535 30 20 IKED Cc1c(C#N)c(NC(=O)CCN[C@@H](CC2CC2)c2ccccc2)n(Cc2ccco2)c1C 611395463 CHFMWBCNNGQOTH-DEOSSOPVSA-N 430.552 5.078 30 20 IKED N#C[C@H](C(=O)c1cnc(-c2ccccc2)s1)c1nc2cc(C(F)(F)F)ccc2s1 613403748 FZAWQZNDORRAMW-CYBMUJFWSA-N 429.448 5.929 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2cccc(C)c2)n1CC 617934710 CQDAYBXXQUWJCV-KRWDZBQOSA-N 426.611 5.030 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1 618849410 APVHTYGPQMKZLN-IQGLISFBSA-N 425.532 5.624 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2sc(C)nc2-c2cccs2)cc1 619210323 AMPJNEKIPKKETJ-UHFFFAOYSA-N 437.590 5.175 30 20 IKED O=C(Nc1ccc2nc(C(F)F)sc2c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 672818631 FSNOSCATJAOLGH-YUMQZZPRSA-N 447.351 5.829 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NCc2cc(=O)oc3cc4c(cc23)CCC4)cc1 725840391 DMGJTCLFEHEINF-UHFFFAOYSA-N 438.483 5.566 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)N(CCC#N)c3ccc(C)cc3)c2)cc1 727377153 HFVLAWSMRNCAAY-UHFFFAOYSA-N 440.543 5.656 30 20 IKED CC[C@H](C)Oc1ccccc1/C=C/C(=O)[C@@H](C#N)C(=O)Nc1cc(C)c(Cl)cc1OC 729888005 ADIWUPCBZWFWKW-KTGWGUMDSA-N 440.927 5.195 30 20 IKED N#C[C@H](C(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1)c1nc2cc(F)ccc2s1 730417646 RDWGVIOHQVMPOG-GCJKJVERSA-N 436.895 6.085 30 20 IKED Cc1cc(C(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)c(C)n1-c1ccc(C#N)cc1 730553064 QMCCLHKNYURGGF-HXUWFJFHSA-N 438.531 5.513 30 20 IKED N#C[C@@H](C(=O)CCc1nc2cc(Cl)ccc2s1)c1nc2ccccc2n1C(F)F 730690862 YNUWFGXREXEITO-LBPRGKRZSA-N 430.867 5.504 30 20 IKED C/C(=C\C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1Cl 731080414 MFMATCHWUKDVPD-QJPKHSJYSA-N 428.941 5.319 30 20 IKED O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc(C(F)(F)F)nc1O 731564693 PBSYXKNOFSPMGF-QBFSEMIESA-N 449.432 5.614 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@H]1c1cc(C(F)(F)F)ccc1F 733249875 VWYYBTWBEVIFMQ-KRWDZBQOSA-N 428.838 5.017 30 20 IKED CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1 733654173 PKHHNZRWQJNCJE-XPWALMASSA-N 435.568 5.244 30 20 IKED O=S(=O)(O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1sccc1Br 734154242 XECGMJPLTUHSEK-NSHDSACASA-N 449.697 5.043 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)COc3ccc4cc(Br)ccc4c3)[nH]c12 735793110 QFCIZECKOGLTBM-SFHVURJKSA-N 434.293 5.042 30 20 IKED O=C(/C=C\c1cc(Cl)ccc1Br)c1ccc(S(=O)(=O)CC(F)F)cc1 742434600 LLLKZAMFZZNZOK-BAQGIRSFSA-N 449.700 5.037 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccc(Br)s1 744062123 PXZPKAQATPUQKP-FZMZJTMJSA-N 442.363 5.486 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 744841015 SLUWFDLUEGSLOG-DFBJGRDBSA-N 442.515 5.199 30 20 IKED C[C@H](OC(=O)C[C@H](C)c1ccccc1C(F)(F)F)C(=O)N(CCC#N)c1ccccc1 745217322 JEJTVAOYDHFJGN-IRXDYDNUSA-N 432.442 5.078 30 20 IKED O=C(CSCc1cc(-c2cccs2)on1)N1CCCSC1=Nc1ccccc1 747120924 VVIGQVNUUSAODE-UHFFFAOYSA-N 429.592 5.290 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 747638211 WYZROUIUSBDBBT-NRFANRHFSA-N 440.484 5.626 30 20 IKED N#Cc1ccc(/C=C2\SC(=S)N(c3ccc(OC(F)F)c(Cl)c3)C2=O)s1 749017667 ZEYOECRTUFVNHE-MLPAPPSSSA-N 428.894 5.280 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N1CCC(c2cccc(F)c2)CC1 752855826 MYONIKMQCRAKQK-GJZGRUSLSA-N 440.403 5.624 30 20 IKED COC(=O)C1C/C(=C\c2cncc3ccccc23)C(=O)/C(=C/c2cncc3ccccc23)C1 761485745 IJZMBNCOZYVAFO-ZIOPAAQOSA-N 434.495 5.402 30 20 IKED C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CCO[C@H](c2cccc(C#N)c2)C1 761758076 PXGJQCKMIVQCBR-DJJJIMSYSA-N 429.307 5.050 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCn3c(cc4ccc(Cl)cc43)C2)cc1 772229945 JHLHUJNHECAESY-XMMPIXPASA-N 440.934 5.998 30 20 IKED COc1ccc(CN(C)C(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1F 775994756 KOOXMAXYIDJJGW-MRXNPFEDSA-N 438.343 5.298 30 20 IKED COC1CCN(c2ccc(NC(=O)c3ccc(C#N)c(Cl)c3)cc2C(F)(F)F)CC1 777638309 UCFXKDAPHANAMW-UHFFFAOYSA-N 437.849 5.098 30 20 IKED CC[C@](C)(O)CN(Cc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 784429195 SPALPPOFMVGLHT-BDYUSTAISA-N 427.548 5.537 30 20 IKED Cc1cc2c(Br)ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)c2o1 785879714 DABJTWHULCOSNC-HNNXBMFYSA-N 431.673 5.118 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 790773900 PZYDWXVMJSFEKX-LJQANCHMSA-N 447.560 5.966 30 20 IKED COc1ccccc1-c1csc(C2CCN(C(=O)/C=C\c3ccccc3C#N)CC2)n1 791238306 QVZWODGILOZXBK-KHPPLWFESA-N 429.545 5.110 30 20 IKED Cc1ccccc1-c1nnc(C)n1-c1ccc(OC(=O)C[C@H](CC#N)c2ccccc2)cc1 796770352 SYSNQNJJEKXQBE-QFIPXVFZSA-N 436.515 5.544 30 20 IKED CSc1ccc([C@H](C)OC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 798665678 MXZITSSIDVMYQG-HNNXBMFYSA-N 437.521 5.049 30 20 IKED Cc1sc(Br)c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1C 799602323 NKGIYTJYGGOUQU-SNVBAGLBSA-N 446.153 5.395 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@](CO)(c2ccccc2)C1 801621875 PCUADPDQKIUZGG-MHZLTWQESA-N 441.531 5.217 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccccc1CSC1=NCCS1 804559788 HPFNWZJMXGAKND-UHFFFAOYSA-N 428.627 5.019 30 20 IKED N#Cc1cc(Oc2ccc(NCc3c(F)ccc(C4OCCO4)c3Cl)cc2)ccn1 812857952 VTXIVBMRDZYXLJ-UHFFFAOYSA-N 425.847 5.196 30 20 IKED C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1ccc(N2CCCOC2=O)cc1 817306837 DAPHCTQSHOEUBN-GOSISDBHSA-N 425.488 5.063 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@H](CCCC#N)c2ccccc2)c(Cl)c1 817324655 LGIBDELVFOXQBG-HXUWFJFHSA-N 427.932 5.852 30 20 IKED CC(C)n1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(C2CCOCC2)n1 856612493 YSKHTSCNMVQOJD-HSZRJFAPSA-N 428.536 5.266 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)cc1 915087395 TVINXYRSDIRQLE-UGKGYDQZSA-N 447.947 5.437 30 20 IKED CC(=O)N[C@H](CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc(C)cc1 915105142 ZCGGXMGTUPFRGW-DLBZAZTESA-N 445.466 5.067 30 20 IKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cnn1-c1ccc(F)cc1F 915180211 LSQDSEKBAVJKOK-OAQYLSRUSA-N 428.442 5.367 30 20 IKED COc1cc([C@@H](C)NC(=O)c2c(C)oc(-n3cccc3)c2C#N)ccc1OC1CCCC1 916074583 NDGJRGANAFUQQO-MRXNPFEDSA-N 433.508 5.071 30 20 IKED Cc1cc(SCC(=O)[C@H](C#N)c2ccc3ccccc3n2)c(C)cc1Br 916849525 TXQDASFDUAHPSD-MRXNPFEDSA-N 425.351 5.583 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 916928225 WOWGEESODIRQOB-OAHLLOKOSA-N 448.306 5.302 30 20 IKED Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)C2)c1 917027087 WGVMRJRWEYDJCT-UNMCSNQZSA-N 443.572 5.156 30 20 IKED COc1ccc(CNN=Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 917547708 ZYXKTACNUULVHO-UHFFFAOYSA-N 428.319 5.378 30 20 IKED CCCCc1ccc(NC(=O)C=NOCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 920398773 BZYGZNBZHVOKCC-UHFFFAOYSA-N 447.322 5.527 30 20 IKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CCC4)CCC3)cc2)c(C(F)(F)F)o1 1787399248 BNWPNRFRIDDDBO-UHFFFAOYSA-N 445.441 5.048 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCOc3ccccc3)CCC2)cc1 1789451318 HPCCQTMZCNLCOP-DEOSSOPVSA-N 432.564 5.358 30 20 IKED CCOc1ccccc1C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3)cc2)CCC1 1790258471 XUUXREHOLOMRLV-UHFFFAOYSA-N 439.515 5.018 30 20 IKED CC1(C)CC(C(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)C1 1791648770 ZSCDLIDQXVIOJM-ZHACJKMWSA-N 436.577 5.057 30 20 IKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3CCCS3)cc2)CCC1 1792011109 ICAYVCFCOAJRLL-OAQYLSRUSA-N 442.701 5.067 30 20 IKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(-c3ccccc3)cn3ccccc13)C2 1801637213 VKBSOKODHYIWPR-SNJCGAMXSA-N 441.575 5.070 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(CCC)cc2)[C@H]1c1cccnc1 1810501511 AWWKADPHJIPPBC-RPBOFIJWSA-N 447.623 5.346 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)C[C@@H](C)c2ccccc2)[C@@H]1c1cccnc1 1812733509 HBYBQYZBSIANAC-QQSVUBKYSA-N 447.623 5.274 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C23CCC(CC2)CC3)[C@H]1c1cccnc1 1813563387 ADHUHHMFNQCLRJ-GOKFZAQWSA-N 437.628 5.050 30 20 IKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)C(C)C)[nH]n1 1822576833 UMDICYIXQIVYKQ-DHLKQENFSA-N 434.584 5.035 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)CC2)C1 1823700830 ZMORTXITXXRNJX-MNPDLOSFSA-N 426.645 5.179 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(C(C)(C)C)c2)CC1 1824140241 YEVQDARJWSRSDV-QHCPKHFHSA-N 439.644 5.314 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(C)cccc3[nH]2)CC1 1824142259 KFNKZJHHNMMPKR-SANMLTNESA-N 447.623 5.478 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3CCCCC3)CC2)c1 1826284379 MSYDDAWUUCXYTP-NBGIEHNGSA-N 435.612 5.127 30 20 IKED C=CCn1c(SCc2nc3ccccc3n2C(F)F)nc2sc(C)c(C)c2c1=O 14902510 NAVJYUNFHYQUMY-UHFFFAOYSA-N 432.521 5.298 30 20 IKED C=CCNC(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 16922539 LOSGKKPHOVUWDO-CYBMUJFWSA-N 433.364 5.024 30 20 IKED N#Cc1c(NC(=O)CSc2nnc(-c3cccc(Cl)c3)o2)sc2c1CCCCC2 21547932 AUFXQPUQDLETMZ-UHFFFAOYSA-N 444.969 5.323 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(C)s2)=C(\S)Nc2ccc(Cl)cc2Cl)c1 22731094 RBLXZBCVRKDTCN-UHFFFAOYSA-O 436.409 6.010 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccccc2)cc1 22800137 IKAJIGKFEGBECX-UHFFFAOYSA-O 429.924 5.216 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)CCC)nc2scc(-c3ccccc3)c2c1=O 23404492 MYYWAFALUGCQRX-HOTGVXAUSA-N 441.622 5.096 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C(=O)Nc2ccccc2)c2ccccc2)n1 25036653 DENYLTKXKTYPPO-IBGZPJMESA-N 427.451 5.753 30 20 IKED Cc1ccc(-c2nc(C)c(/C(O)=N/c3nnc(SCc4ccccc4)s3)s2)o1 31273937 HYCWPRSDRFSHNJ-UHFFFAOYSA-N 428.564 5.800 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc(NC(=O)C(C)(C)C)cc1 32786955 HSUMEWXEWQOMRG-UHFFFAOYSA-N 448.592 5.015 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCCOc2ccc(F)cc2)cc1 58428423 YPGSDCUJEIYZRY-UHFFFAOYSA-N 433.483 5.061 30 20 IKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccn(Cc4ccccc4)c3=O)c2C#N)C1 64780325 XTGZXGWYNQNLCJ-SFHVURJKSA-N 445.588 5.233 30 20 IKED N#CCCn1cc(-c2csc([C@@H]3CN(Cc4ccccc4)CCO3)n2)c2ccccc21 72087693 CXDDANZRLHUBMN-DEOSSOPVSA-N 428.561 5.252 30 20 IKED CC[C@H](C)[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1nc2ccccc2[nH]1 108286413 CXHCFSSZNTVJKF-QMHKHESXSA-N 428.492 5.124 30 20 IKED C=CCc1cc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc(OC)c1O 116168852 CBTABYIPUCHVAA-MHWRWJLKSA-N 445.903 5.109 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccccc1F 216106526 NTORIUCGPNVHHK-CQSZACIVSA-N 430.936 5.351 30 20 IKED Cc1cccc(COc2ccc(CNCc3cn(CCC#N)nc3-c3ccccc3)cc2)c1 237845904 ZIMMVQRJIRVZIF-UHFFFAOYSA-N 436.559 5.641 30 20 IKED CCn1c(SCCC(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccc(Cl)cc1 249692014 MHLNKGHCCRXTNY-UHFFFAOYSA-N 446.363 5.264 30 20 IKED C=CCn1c(SCc2ccc(OCc3ccc(F)cc3)cc2)nnc1-c1cccnc1 302967186 FRVJHGUDLRZASZ-UHFFFAOYSA-N 432.524 5.537 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 303292616 BJUNDXDAINMOSE-GOSISDBHSA-N 427.529 5.784 30 20 IKED CCc1c(C)sc2nc(S[C@H](C)c3ccc(C#N)cc3)n(C[C@H]3CCCO3)c(=O)c12 303680206 IVAYVFLUFUVQGX-RDTXWAMCSA-N 439.606 5.233 30 20 IKED N#Cc1ccc(CSCC(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)cc1 410047668 QLXXQKJMGSDYJK-SANMLTNESA-N 428.557 5.022 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)Nc3ccc(C4CCC4)cc3)cc2F)c1 427261459 XVLSDIKHEKDPBN-UHFFFAOYSA-N 443.478 5.121 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc3c(c2)N(C(N)=O)CCC3)c1 427944072 NTYBPTRQXRLLHF-UHFFFAOYSA-N 446.894 5.088 30 20 IKED COc1ccccc1-c1noc(C2CCN(c3ccc(C(F)(F)F)c(C#N)c3)CC2)n1 432869716 ZLMPJFCGDCGVSJ-UHFFFAOYSA-N 428.414 5.020 30 20 IKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@H](C#N)CCc1ccccc1)CC2 433231625 JIVFVDBIKCYAKM-NBGIEHNGSA-N 446.572 5.012 30 20 IKED C[C@H](CCNCc1cn(CCC#N)nc1-c1ccncc1)c1cccc(C(F)(F)F)c1 433331525 NBSXKOAXDCQOMK-QGZVFWFLSA-N 427.474 5.161 30 20 IKED N#Cc1ccc(CSCC(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 437015392 CFGXKPJTZZNQSC-UHFFFAOYSA-N 447.507 5.250 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)Nc1ccc(SC2CCCC2)cc1 437441474 IOQPCMLCNPVMTC-MRXNPFEDSA-N 439.606 5.693 30 20 IKED COCCN(Cc1cccs1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438653678 YHZKHCRIZKBIBS-UHFFFAOYSA-N 425.485 5.232 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2CCCCC[C@@H]2c2ccco2)cc1F 441995657 FPNXUVONRXWWAU-HXUWFJFHSA-N 447.466 5.165 30 20 IKED Fc1ccccc1-c1noc(CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)n1 444737647 RFHVRGCWFVUZFU-OAHLLOKOSA-N 433.327 5.678 30 20 IKED C=C(C)Cn1c(SCc2nc(-c3cc(C)c4ccccc4n3)no2)nnc1-c1ccco1 445402290 KLWCCCKTOOKYBT-UHFFFAOYSA-N 444.520 5.313 30 20 IKED COc1cc2c(cc1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)O[C@H](C)C2 448450306 UNEDHLLAMQEJDO-QGZVFWFLSA-N 444.556 5.113 30 20 IKED C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]1c1cccc(F)c1 460945798 MIASSNBIXVIVPV-FQEVSTJZSA-N 438.572 5.636 30 20 IKED C[C@@H](NCc1nnc(-c2cc3c(s2)CCCC3)o1)c1ccc(-c2cccc(C#N)c2)cc1 461377444 VOZWTRMOYYPHFU-QGZVFWFLSA-N 440.572 6.066 30 20 IKED Cc1ccc([C@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)s1 461508427 BKESLNMPTRNNEO-HXUWFJFHSA-N 431.590 5.638 30 20 IKED N#Cc1ccc(F)c(CNC(=O)N[C@H](c2cc(F)ccc2F)c2ccccc2Cl)c1 466191381 CDVJXABQVVDKKV-NRFANRHFSA-N 429.829 5.218 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CN[C@H](c2ccccc2)C(F)(F)F)cc1 468108958 GYYFXETVKLBOQI-JOCHJYFZSA-N 425.410 5.182 30 20 IKED Cc1ccc([C@H]2CCCN2CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)s1 472252221 XORCELNDEWLHDW-OAQYLSRUSA-N 436.581 5.154 30 20 IKED CC(C)Oc1cc(Br)cc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c1 473931533 HMTISACXDJPATB-OAHLLOKOSA-N 427.220 5.140 30 20 IKED COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)[C@H](C#N)c2nc(C(C)C)cs2)cc1 474432363 KDGQGXFGYORUIU-SFHVURJKSA-N 437.496 5.157 30 20 IKED CC(C)N(Cc1cccc(F)c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481625816 NDZMJJHPRDXTMB-UHFFFAOYSA-N 435.474 5.858 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4nccc5ccccc45)cc3)o2)cc1 483242935 YHAZMKFFUBLIMV-HSZRJFAPSA-N 430.467 5.750 30 20 IKED COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1SC 483413550 NMFFUPKMSYZKOD-UHFFFAOYSA-N 449.488 5.550 30 20 IKED COCCN(C[C@@H]1CC=CCC1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 484175906 DPUACXKZJQXOQD-JOCHJYFZSA-N 433.552 5.168 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCn4c(cc5ccc(Cl)cc54)C3)cc2)nc1 487232270 JPGZBZMNLGQORW-UHFFFAOYSA-N 428.879 5.010 30 20 IKED Cc1cccc(NC(=O)NCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 491051078 NOCWLZMQUYPDIZ-UHFFFAOYSA-N 434.883 5.073 30 20 IKED CCN(C(=O)CCc1c(C)nn(CCC#N)c1C)[C@@H](c1ccc(Cl)cc1)c1cccnc1 496449767 RONJLAZDOUIFMX-VWLOTQADSA-N 449.986 5.033 30 20 IKED N#Cc1ccc(-c2nnc(CN3CCC(F)(c4ccccc4C(F)(F)F)CC3)o2)cc1 499939355 LNQGYPISHJFXSV-UHFFFAOYSA-N 430.405 5.088 30 20 IKED N#CCCn1cc(CNCCCOc2ccc(Cl)cc2Cl)c(-c2ccccc2)n1 500114857 YCBUCFCGNZXUHB-UHFFFAOYSA-N 429.351 5.329 30 20 IKED C=CCN(C(=O)c1csc(-c2ccc(OC(C)C)cc2)n1)c1nc2c(s1)CCCC2 501939220 PAVXNWXOEQOXGM-UHFFFAOYSA-N 439.606 5.765 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3cnn(C(C)C)c3c2)cc1C 504692008 LEOXWVUELJMVLO-UHFFFAOYSA-N 426.524 5.264 30 20 IKED COC(=O)c1ccc(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 505146931 YVVSGWIDOLMFFA-JOCHJYFZSA-N 447.922 5.146 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1)c1ccccc1 505593198 JJJVBBIOOZETOR-KRWDZBQOSA-N 440.849 5.043 30 20 IKED COc1ccc([C@H]2CCCCCN2C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1 505867729 HWOHJBVUEWOLSL-XMMPIXPASA-N 435.543 5.066 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCCOc3ccccc32)cc1 506315314 PRJPEMBYRBVKDN-XMMPIXPASA-N 427.504 5.367 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)s2)cc1 507055870 VTZCHJIJEWLIOL-KRWDZBQOSA-N 446.576 5.434 30 20 IKED C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCC(Oc2ccc(C#N)cc2)CC1 507845851 DQWPUOYPPDIOML-HXUWFJFHSA-N 425.532 5.415 30 20 IKED COCc1c(Br)cccc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 508167079 UUKAUKYAGVVKGG-UHFFFAOYSA-N 430.346 5.157 30 20 IKED Cn1c(-c2cc(-c3ccccc3Cl)nc3ccccc23)nnc1N1CCC(C)(C#N)CC1 508707097 SYRRHFYKRNWROB-UHFFFAOYSA-N 442.954 5.481 30 20 IKED CCN(C(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 509565359 WXHCWMBXALNYPO-IBGZPJMESA-N 444.531 5.378 30 20 IKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 510661562 BFROQMLJEANNJX-INIZCTEOSA-N 428.517 6.185 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 511377007 JJAPGGAUDQMCKX-AWEZNQCLSA-N 425.504 5.423 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1 513781390 NFAQHPGQBVZLSR-AWEZNQCLSA-N 435.376 6.237 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1NC(=O)c1ccccc1 517517757 IUDMEZYZUYIWSU-GOSISDBHSA-N 429.545 5.894 30 20 IKED Cc1c(Cl)cccc1NC(=O)CCNC(=O)Nc1ccccc1S[C@H](C)CC#N 518755880 PYXKMNPSXXDSLN-CQSZACIVSA-N 430.961 5.193 30 20 IKED C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)CSCc1ccc(C#N)cc1 519118172 IFBOBSCSDYLBJO-XCLFUZPHSA-N 447.423 5.153 30 20 IKED C=CCc1cc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)cc(OC)c1OC 519449189 YMVGKMLTJKSYBR-MRXNPFEDSA-N 425.554 5.006 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 521259455 NJBORYRGLBZXJN-LIRRHRJNSA-N 434.392 6.614 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3cccc(-c4cn5cccnc5n4)c3)c2)cc1 522311909 SFCJZKQCYREFCN-UHFFFAOYSA-N 445.482 5.099 30 20 IKED C[C@@H](Oc1ccccc1NC(=O)N1CCN(c2ccccc2C#N)CC1)c1ccccc1 522457472 QBOQQPVLMFPQSN-HXUWFJFHSA-N 426.520 5.052 30 20 IKED C=CCN(CC1CCCCC1)C(=O)Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1 522600066 CGSCRVNSAQTZMO-UHFFFAOYSA-N 427.589 5.814 30 20 IKED C[C@@H](c1ccccc1)N1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 522621915 PGZMNTIHPBSNJR-FQEVSTJZSA-N 440.547 5.698 30 20 IKED C=CCOc1cccc(NC(=O)N2CCC[C@@H]2c2cc(Br)ccc2OC)c1 523373196 BTAXZFAGEBQOSR-LJQANCHMSA-N 431.330 5.392 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1cc(C#N)ccc1OC(F)F 524382643 NIKZXZQHEYFSEE-UHFFFAOYSA-N 449.866 5.409 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cnn(-c4cccc(Cl)c4)c3)cc2F)c1 524496226 JWKDRWKQFMDKRF-UHFFFAOYSA-N 446.869 5.368 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3cnc(-c4ccccc4)s3)c2)cc1 527127754 HWECWBBURRBAES-UHFFFAOYSA-N 440.484 5.051 30 20 IKED C[C@H](NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1ccc(OCc2cccnc2)cc1 531230065 IMFLDTYKECMWHN-LZYPDUGYSA-N 440.547 5.203 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 539750303 CAOGHRCJJJMOQE-OAQYLSRUSA-N 433.515 5.030 30 20 IKED CCOc1ccc([C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c2ccccc2)cc1 541495995 BKMXBAWWFJWZLA-SANMLTNESA-N 425.532 5.421 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)N1CCC(CC#N)CC1 541964047 BMFBOUDXLLMKIV-AWEZNQCLSA-N 447.402 5.277 30 20 IKED COc1ccc(NC(=O)C[C@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(OC)c1 542106464 NFYOLQSJAQDHKU-OALUTQOASA-N 443.547 5.310 30 20 IKED CC(C)C(=O)Nc1ccc(CNC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 542979068 TXWSYMFPFLCYDS-LJQANCHMSA-N 440.547 5.380 30 20 IKED COc1cc(C#N)ccc1NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 546004311 UCVUKNHZRWYTPZ-UHFFFAOYSA-N 431.542 5.600 30 20 IKED Cc1nn(C(F)F)c(C)c1Cc1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 546295496 XFGCBNNTVYMYGH-UHFFFAOYSA-N 440.294 5.573 30 20 IKED Cc1cc(Cl)c2ncc(C#N)c(N(C)CC(=O)Nc3c(Cl)cccc3Cl)c2c1 548953158 HJSDUWJXWNFFBZ-UHFFFAOYSA-N 433.726 5.450 30 20 IKED C=C(C)Cn1c(Cc2ccc3ccccc3c2)nnc1N1CC[C@@]2(C1)OCc1ccccc12 549690765 ZERJWSLEIYASSO-NDEPHWFRSA-N 436.559 5.234 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@@H](COCC)C1 570297590 ALADVHGAFJIFHZ-LEWJYISDSA-N 434.584 5.400 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC(F)(c3ccccn3)CC2)c1 571482456 AUGPTSIVXNHMRV-UHFFFAOYSA-N 435.886 5.500 30 20 IKED C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(c2nc3ccccc3[nH]2)CC1 573147801 OEMZLCDBZXXNGI-UHFFFAOYSA-N 442.567 5.002 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC(Cc4ccc(F)c(F)c4)CC3)cc2)ccn1 582092196 FKMMORPRBIGZKC-UHFFFAOYSA-N 448.473 5.510 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3ccc(F)cc3OC3CCCC3)CC2)c(F)c1 586799528 SCLFKIDFKUYHFX-UHFFFAOYSA-N 425.479 5.013 30 20 IKED C=CCn1c(SCc2nnc(-c3c(Cl)cccc3Cl)o2)nnc1-c1ccco1 588011511 AIWYRTDIPAEJBP-UHFFFAOYSA-N 434.308 5.373 30 20 IKED N#Cc1ccccc1NC(=O)CCSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 589939293 CHIYIWGNKCICON-UHFFFAOYSA-N 443.507 5.066 30 20 IKED N#C[C@@H](C(=O)c1cc(Br)cc2ccccc12)c1nc2cc(F)ccc2s1 592974797 ZLZNNXPTGOBRCS-INIZCTEOSA-N 425.282 5.841 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 601195524 BNDDKRDUCATLKX-UHFFFAOYSA-N 438.524 5.020 30 20 IKED Cc1sc(NC(=O)CC[C@H](C)CC(=O)Nc2sc(C)c(C)c2C#N)c(C#N)c1C 603729006 ZURUDOGUBPCXHX-NSHDSACASA-N 428.583 5.170 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)CCCC(=O)N3)cc1Cl 603759156 VKLVRKRGOSQYDC-OAQYLSRUSA-N 429.907 5.523 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)n1 603905235 LBZAKPJYFJAUBA-UHFFFAOYSA-N 448.297 5.338 30 20 IKED FC(F)(F)c1cc(N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)nc(-c2ccncc2)n1 608080399 VZKGSXCKSIHQGP-GHMZBOCLSA-N 444.301 5.125 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3c[nH]cc3-c3ccc(Cl)s3)cc2)c1 609073440 HVENOOWQWJXMRI-UHFFFAOYSA-N 433.920 6.100 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](COc1ccccc1)c1ccccc1 609401912 JVFBQTPENGBUMN-XXBNENTESA-N 431.561 5.880 30 20 IKED N#Cc1ccccc1COc1cccc(CNCc2ccccc2OCC(F)(F)F)c1 609433199 GSRODDDNOWENIR-UHFFFAOYSA-N 426.438 5.368 30 20 IKED CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 609433819 KVYHEXMUQSJOQZ-SFHVURJKSA-N 442.519 5.657 30 20 IKED CCCN(Cc1c(F)cccc1Cl)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 609438135 BVAIWSSXXYODPO-HNNXBMFYSA-N 447.963 5.251 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cc(-c4ccccc4)ccc3Cl)CC2)c1 609502806 CYHJAYUVMOPNRJ-UHFFFAOYSA-N 443.934 5.370 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(C)c2ncccc12 609542066 HEKNEIZNXWPFNV-UHFFFAOYSA-N 445.519 5.258 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCSC[C@@H]1c1ccccc1 609681958 FNNOWVSJBXAGAB-RUZDIDTESA-N 443.572 5.768 30 20 IKED C[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc2nc(O)[nH]c2c1 609729938 CJHKOXRJMOQAIH-ZDUSSCGKSA-N 432.867 5.077 30 20 IKED CCO[C@@H](C)c1nc(CC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cs1 609754310 KPPAIVHKJJGDRS-KRWDZBQOSA-N 437.540 5.336 30 20 IKED COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(C#N)c1 610408131 JWFJWGLMVOSOES-SFTDATJTSA-N 427.548 5.471 30 20 IKED O=C(Nc1ccc(-n2cccn2)c(F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 613085741 HEVNVFXKWVUHBA-PJXYFTJBSA-N 438.347 5.042 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)oc2c1C(=O)CCC2 613344700 NBDOROSBPMXQCG-ZDUSSCGKSA-N 445.327 6.027 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613405330 YKUCLFSIGIISQD-IBGZPJMESA-N 447.441 6.344 30 20 IKED N#C[C@H](C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1nc2cc(Cl)ccc2s1 613407031 DOBXWHQPQGGPQD-GOSISDBHSA-N 446.919 6.084 30 20 IKED C=CCn1c(S[C@@H](C(=O)N2CCCC[C@@H]2C)C(C)C)nnc1-c1ccc(Cl)cc1 639428730 ZQFUBNRACLSFDC-QFBILLFUSA-N 433.021 5.302 30 20 IKED C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 642281284 WEBXUEGLOLKAKE-ZNOIYHFQSA-N 435.936 5.548 30 20 IKED Cc1cc([C@H](C#N)C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)nc(C)n1 642282558 FQRZKBFVVQXSFE-IBGZPJMESA-N 439.302 5.143 30 20 IKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccccc2)[n+]2ccc3c(c2)CCCC3)cc1Cl 726571088 DKLBRCSIIJUKBC-UHFFFAOYSA-O 446.983 5.701 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(C)n(-c2ccccn2)c1C 728028300 DDZSKEVJGFSHNH-UHFFFAOYSA-N 436.515 5.501 30 20 IKED Cc1cc(C(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)c(C)n1-c1ccc(C#N)cc1 728268579 PZPJGHYVWNBPKR-UHFFFAOYSA-N 437.547 5.061 30 20 IKED COc1ccc(CC(=NNc2cnnc(O)c2Cl)c2cc(Cl)ccc2Cl)cc1 729143192 JUBFUXJXMQRAFW-UHFFFAOYSA-N 437.714 5.210 30 20 IKED CCc1cccc2c(CC(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c[nH]c12 731768260 FXRGEOBIBPJSLU-JOCHJYFZSA-N 437.499 5.413 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccc(Cl)cc1Cl 733079685 IKJJWIXQWOIRLB-UHFFFAOYSA-N 426.229 5.700 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CC3(CCCC3)c3c(F)cccc32)ccc1OC 733653117 HTIJRSKBTPVETO-GOSISDBHSA-N 437.515 5.057 30 20 IKED CC(C)OC(=O)NCc1ccc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 735171888 OTWYMGKRITYRGJ-UHFFFAOYSA-N 445.479 5.024 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2c(F)cccc2F)cs1 735615593 UGYHUMVWZQYUDL-UHFFFAOYSA-N 440.397 5.571 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c1=S 736594092 JKVKGSIGWCWFHD-PKOBYXMFSA-N 438.572 5.250 30 20 IKED COC(=O)[C@H](Sc1ncnc2cc(-c3ccc(F)cc3)sc12)c1ccc(C#N)cc1 741735457 JCDKNOQIWOQVJX-LJQANCHMSA-N 435.505 5.375 30 20 IKED CN(CCC#N)c1ccc(CNCc2ccc(Oc3ccccc3C(F)(F)F)nc2)cc1 742378671 JDBLVAMETPNLBU-UHFFFAOYSA-N 440.469 5.532 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@@H](O)c1cc(C)cc(C)c1 743252768 DJUMAISPRHLRAV-HXUWFJFHSA-N 429.973 5.139 30 20 IKED C[C@@H](Nc1ccc(N(C)Cc2ccccc2)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 743472033 IWUYTFSYLDBWEP-HXUWFJFHSA-N 430.527 5.209 30 20 IKED C[C@H](CC(=O)c1cccc(F)c1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 744075216 SKKONHOUTOEYMV-DOMZBBRYSA-N 428.435 5.313 30 20 IKED C[C@H](OC(=O)c1nc(-c2ccccc2)oc1-c1ccccc1)C(=O)Nc1cccc(C#N)c1 744994941 RDLWEASLMMXNNG-KRWDZBQOSA-N 437.455 5.064 30 20 IKED COc1cc(/C=C/C(=O)N(CCC#N)c2ccc(C)cc2)ccc1OCc1c(C)noc1C 745406248 JVWGAEYUNMNPOP-UKTHLTGXSA-N 445.519 5.148 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc(OC)c(O)c1)C(=O)c1ccccc1 747149806 HWBVPHQRAMYYQC-JWGURIENSA-N 429.516 5.431 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2ccccc2Cl)n1)c1nc(-c2ccc(Cl)cc2)cs1 748003701 HNZCXSFXGWSUJO-HNNXBMFYSA-N 439.327 5.793 30 20 IKED N#CCC[C@H](NC(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl)c1ccccc1 748571313 ZRFVGSVIFUKMAF-SJORKVTESA-N 434.392 6.139 30 20 IKED N#Cc1ccccc1N1CCC(NC(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)CC1 749533318 LLFWTLLXUYSHJL-UHFFFAOYSA-N 428.363 5.072 30 20 IKED Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1ccnc(F)c1 751064741 XIGNMYQLFMDBML-LJQANCHMSA-N 436.468 5.055 30 20 IKED Cc1[nH]c2ccccc2c1C1=CCN(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 751477321 BKAUFMPKIJGCPL-LJQANCHMSA-N 426.545 5.052 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC(Cc3ccc(C(F)(F)F)cc3)C2)cc1 752634805 BYWKLBAUKQIRIR-XMMPIXPASA-N 449.476 6.067 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N 754678091 YHPIIDNHDGLAQO-HNAYVOBHSA-N 439.544 5.006 30 20 IKED Cc1occc1-c1nnc(SCC(=O)O)n1N=C[C@H](C)Cc1ccc(C(C)(C)C)cc1 754713008 APULYDWJHYHYHC-OAHLLOKOSA-N 440.569 5.033 30 20 IKED Cc1nnc(SCc2c(C(=O)OCC3CCC(C#N)CC3)oc3ccccc23)s1 755976056 JGRWYIAAFXKISF-UHFFFAOYSA-N 427.551 5.372 30 20 IKED O=C1/C(=C\c2nc(Cl)cs2)CN(c2ccccc2)C/C1=C/c1nc(Cl)cs1 759077132 QYZQAYDPIAGPGC-QXFGSWAMSA-N 434.373 5.463 30 20 IKED Sc1nnc(-c2ccccc2Br)n1N=Cc1ccc(Cl)c2cccnc12 760232370 BJSQWHHFASSHIQ-UHFFFAOYSA-N 444.745 5.080 30 20 IKED COC(=O)C1C/C(=C/c2ccc3ncccc3c2)C(=O)/C(=C\c2ccc3ncccc3c2)C1 761486081 MGOXDOZUHIEVAN-VMTNTFKOSA-N 434.495 5.402 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 761667074 RKPSWOJVIXRPSR-FQEVSTJZSA-N 433.511 5.157 30 20 IKED CC(C)(C)OC(=O)NC[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccc2ccccc2c1 761768647 VGCNTVHMDSLNQY-HSZRJFAPSA-N 444.535 5.293 30 20 IKED COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 763800184 NYCKMKLCBMUQML-QFIPXVFZSA-N 447.516 5.241 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)o1 764386699 WUYJOGVFQBRRHF-ISKFKSNPSA-N 444.531 5.239 30 20 IKED CC(C)(C#N)c1ccccc1COC(=O)c1ccccc1OCC(=O)Nc1ccccc1F 767975947 MLIYYARPBDDNBE-UHFFFAOYSA-N 446.478 5.001 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)c2ccccc21 768025073 QEJQPAMHPZTJBZ-HHHXNRCGSA-N 437.543 5.864 30 20 IKED N#C[C@H](C(=O)Nc1ccc(-c2ccccc2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 768127777 RWLXRPVTEHBFDU-IBGZPJMESA-N 440.528 5.189 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)cc1 772597263 RTEUEYWSNZHJCZ-FGZHOGPDSA-N 425.315 5.711 30 20 IKED COc1cccc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)OCC#N)c1OC 776024105 WHEOOZBMIZZEKV-BJYOTHFNSA-N 428.488 5.055 30 20 IKED CCOc1ccc(N(C(=O)Cc2ccccc2CC#N)c2nc3ccccc3s2)cc1 776741637 WIFLRTMNNNIGEL-UHFFFAOYSA-N 427.529 5.668 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 780166153 JUKIIVZTQHKHKD-CYBMUJFWSA-N 430.291 5.511 30 20 IKED Cc1cc(NC(=O)Nc2ccccc2O[C@@H](C)C#N)nn1-c1ccc(Cl)c(Cl)c1 780642250 UJCKDOBEOPDTCE-ZDUSSCGKSA-N 430.295 5.422 30 20 IKED Cc1cc(C(=O)NCc2ccc(C#N)cn2)ccc1N[C@H](C)c1cc(Cl)ccc1Cl 782027907 SMLMLKKNEIPKSN-OAHLLOKOSA-N 439.346 5.672 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCc3cc(Br)cc(C)c32)ccc1OC 786850795 ALUCGLUGWWMQSE-RBUKOAKNSA-N 429.358 5.224 30 20 IKED Cc1nc(-c2ccccc2F)sc1C(=O)/C=C\c1cn(CCC#N)nc1-c1ccncc1 788356591 UDIYGFVCOZIAFJ-FPLPWBNLSA-N 443.507 5.326 30 20 IKED C[C@H](/N=C\c1cc(Br)cc(Br)c1O)[C@H]1OCCc2sccc21 793667174 IACIQYQIIQXJOI-LKBUKGOISA-N 445.176 5.100 30 20 IKED O=C(/C=C\c1ccc(Br)cc1C(F)(F)F)c1cccc(N2CCOC2=O)c1 794934266 HYPUCAMZHPZYKE-ALCCZGGFSA-N 440.215 5.321 30 20 IKED Cc1ccccc1-c1nnc(C)n1-c1ccc(OC(=O)C[C@@H](CC#N)c2ccccc2)cc1 796770351 SYSNQNJJEKXQBE-JOCHJYFZSA-N 436.515 5.544 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cc(-c3cccnc3)ccc2C)ccc1OC 797654426 JGNUHEMVUKBYCT-NRFANRHFSA-N 430.508 5.068 30 20 IKED CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 802665607 XWNTWPNPSCAPQI-QHCPKHFHSA-N 449.986 5.076 30 20 IKED CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[C@H](C#N)c1nc2ccccc2o1 805860370 DMZGTQFBGDGZBD-PXNSSMCTSA-N 433.508 5.296 30 20 IKED N#C[C@H](C(=O)Cc1c[nH]c2cccc(Cl)c12)C(=O)Nc1ccc(SC(F)F)cc1 815906863 LBMWMZCHXCMPQS-CQSZACIVSA-N 433.867 5.026 30 20 IKED CS(=O)(=O)c1ccc(NN=Cc2sc(Nc3ccccc3Cl)nc2Cl)cc1 914835894 RGVWZIADRITPSB-UHFFFAOYSA-N 441.365 5.043 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(CCc3ccc(O)cc3)CC2)cc1 915351899 DBERGPXFNGASEE-MHZLTWQESA-N 439.559 5.924 30 20 IKED Cc1ccc(C(=O)[C@H](OC(=O)CCc2c(C)nn(CCC#N)c2C)c2ccc(C)cc2)cc1 919252281 TXDCZRGAHSSDLB-HHHXNRCGSA-N 443.547 5.130 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3c(C)nn(CC(C)C)c3C)n2)cc1 920139186 OLMOTQODKSMVEW-OAQYLSRUSA-N 436.581 5.097 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(SC(F)(F)F)cc3)n2)cc1 920140367 CCTPOZCYRSMLOV-INIZCTEOSA-N 429.448 5.784 30 20 IKED CCN(C(C)=O)c1nc(C=NN(C(=S)Nc2cccc(Cl)c2)C(C)(C)C)cs1 920385761 XXDFEINGURXLOD-UHFFFAOYSA-N 438.022 5.001 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(N3CCCC3)c(C)c2)cc1C 920851900 RDKLZSZHJBEPLO-UHFFFAOYSA-N 427.552 5.242 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2ncc(-c3ccc(F)cc3)o2)cc1C 920892163 HTSVENPOQQCAEO-UHFFFAOYSA-N 444.466 5.232 30 20 IKED COc1ccc(-c2nc(SCc3cnc(-c4ccccc4)s3)nc(O)c2C#N)cc1 1116265411 XZCSTFVHYRNNEU-UHFFFAOYSA-N 432.530 5.145 30 20 IKED C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc2nc(O)oc2c1 1684267688 RJVXTMQQFIBWDB-MRXNPFEDSA-N 444.466 5.017 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccccc5)on4)CCC3)cc2)C1 1785803625 PSVUXKMGDAGCOD-UHFFFAOYSA-N 427.504 5.056 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccco4)cc3)CCC2)c(Cl)c1 1786914732 BVWVXHUIJIKJPC-PKNBQFBNSA-N 445.906 5.266 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4c[nH]nc34)CCC2)cc1 1789626237 OCKRAHIKBUNQAT-UHFFFAOYSA-N 430.552 5.303 30 20 IKED Cc1ccn(C)c1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1790183419 DLVZXUTZRBDASE-LJQANCHMSA-N 440.547 5.022 30 20 IKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1 1812596432 QXMBMSOTYFATCH-BGWNEDDSSA-N 427.633 5.296 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(C)(C)C)nc2)n[nH]1 1814351482 AMZMAUHWOGRPIG-PZJWPPBQSA-N 449.599 5.177 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccnc(C(F)F)c2)n[nH]1 1816081969 DEPNFZDKDPDWQG-GOSISDBHSA-N 445.514 5.041 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)c(F)cc2F)[nH]n1 1819556075 RMHCBIGDFCPSDH-IBGZPJMESA-N 448.489 5.125 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)c(F)c2)n[nH]1 1821041157 IXCPQYPCNVAIEO-JXFKEZNVSA-N 444.938 5.277 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)ccc2Cl)n[nH]1 1821123690 BRGBOCIJTLIVKM-JXFKEZNVSA-N 444.938 5.277 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(Cl)s2)CC1 1824140070 WMVMILRRLJNUCR-OAQYLSRUSA-N 449.060 5.332 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)CC1 1828606666 MUKQKROCWHVBTQ-UTKZUKDTSA-N 442.600 5.486 30 20 IKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)c(C)c3Cl)CC2)C1 1832563782 XCRHBVBYGGIIBB-OAQYLSRUSA-N 449.422 5.501 30 20 IKED COc1ccccc1-c1nc(COC(=O)c2cc(C3CC3)nc(SC)c2C#N)cs1 11713405 MTNVDOAWHKBZCI-UHFFFAOYSA-N 437.546 5.042 30 20 IKED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CSc1cc(Cl)ccc1Cl 16656061 BYNUDBHTXMIKBL-UHFFFAOYSA-N 426.369 5.051 30 20 IKED C=CCNC(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 16922561 DFIGNLSFXBGIRS-CQSZACIVSA-N 447.391 5.083 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)C3(c4ccc(Cl)cc4)CC3)s2)cc1 21362183 XRAXKGLMKUJZEG-UHFFFAOYSA-N 426.954 5.026 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C 62897587 MCKYYNLKOOUVOR-UHFFFAOYSA-N 447.539 5.109 30 20 IKED Cc1ccc(C#N)cc1NC(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1 63962146 NRGNODHLJBBDHL-UHFFFAOYSA-N 448.320 5.063 30 20 IKED Cc1ccc(Cl)c(O[C@@H](C)/C(O)=N/c2ncn(Cc3ccc(Br)cc3)n2)c1 64463735 JDFAWQZBWPSGPU-ZDUSSCGKSA-N 449.736 5.106 30 20 IKED C=CCc1cc(CNC(=O)c2ccccc2SCc2cscn2)cc(OC)c1OC 65064079 MUZURHNOWFDXHD-UHFFFAOYSA-N 440.590 5.111 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)c2)c1 303572069 BTWXKRHYKDBXFD-QHCPKHFHSA-N 439.540 5.724 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)c3ccc(OC)c(Cl)c3)o2)cc1 428071759 QOTFFNIIBXUYQJ-CYBMUJFWSA-N 430.913 5.327 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)s1 430590961 JICDOHKSRUZBGN-ZDUSSCGKSA-N 436.434 5.274 30 20 IKED Cc1nc2cc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)ccc2n1Cc1ccsc1 430641658 JEEAUDUIJAQSJZ-KRWDZBQOSA-N 434.590 5.699 30 20 IKED CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 437027124 RIYBDCWYLPJKQR-UHFFFAOYSA-N 433.895 5.109 30 20 IKED CCOc1ccc([C@@H](CNC(=O)c2cc(C#N)cs2)c2c[nH]c3ccccc23)cc1OC 437400549 MSIIUXLYTSWCJN-LJQANCHMSA-N 445.544 5.070 30 20 IKED N#Cc1ccc(NC(=O)C(=O)N(Cc2ccccc2Cl)C2CCCC2)cc1C(F)(F)F 439618457 OLZYURYJGYTACX-UHFFFAOYSA-N 449.860 5.140 30 20 IKED CC(C)CCOc1ccc(NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 440999740 LTWNPRVLPYIZRT-KRWDZBQOSA-N 425.554 5.083 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@H](c3nc(C(C)(C)c4cccc(Cl)c4F)no3)C2)n1 445590403 BVBKLZMAGKVMBV-INIZCTEOSA-N 439.922 5.147 30 20 IKED Cc1ccc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(OCC(F)(F)F)c1 447058320 GSEKXMVTVFWSHD-HNNXBMFYSA-N 437.487 5.652 30 20 IKED CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 463166883 AMEIIPWCEFKQFV-JLSDUUJJSA-N 430.599 5.014 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](C)CC(=O)c1ccccc1F 463622521 LXBYXNDTVURMTA-CQSZACIVSA-N 436.296 5.151 30 20 IKED N#Cc1cccc(-c2nnc(CNc3ccc(NC(=O)c4cccc(Cl)c4)c(F)c3)o2)c1 464075606 MFVQBPHATDMCLN-UHFFFAOYSA-N 447.857 5.265 30 20 IKED CCCNC(=O)CCCC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 464302299 OUEDCSBBQMGFCW-UHFFFAOYSA-N 433.430 5.004 30 20 IKED O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccc(F)cc1C(F)(F)F 464729447 PUTOCAMUGVKYCJ-UHFFFAOYSA-N 435.274 5.440 30 20 IKED CCO[C@H](C)c1nc(CN(C)C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)cs1 464798394 JDLGSDYUTKMZMO-QGZVFWFLSA-N 435.549 5.485 30 20 IKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1cccc(-n2cccn2)c1 465218140 UJVJGPZNILOPMI-IBGZPJMESA-N 438.556 5.527 30 20 IKED Cc1csc([C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C2CC2)n1 466091638 LYCZJYQBBLIYCL-FQEVSTJZSA-N 438.940 6.042 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(-c3ccnn3C)ccc2C)cc1C 466545812 PXTJCFWFZSVGBU-UHFFFAOYSA-N 438.535 5.042 30 20 IKED CC(C)N1[C@H]2CC[C@H]1CN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)c(Cl)c1)CC2 467617251 NURDHPMGIYYCMC-PMACEKPBSA-N 438.959 5.483 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 467921474 WPRHMOSWGFILFV-UHFFFAOYSA-N 448.588 5.412 30 20 IKED Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 468169011 NSPROHMGIAOATE-LJQANCHMSA-N 426.520 5.685 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccccc3-c3ccccc3C#N)ccc21 470769545 OVRSODSNAHPHDR-UHFFFAOYSA-N 434.499 5.061 30 20 IKED C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 472194785 VHPWPHDJDUPYCJ-WQAKAFBOSA-N 436.318 5.681 30 20 IKED Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccccc3SC[C@@H](C)C#N)n2)n1 475761611 JGIKZWDQQSZTEQ-ZDUSSCGKSA-N 425.945 5.042 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 476077246 CXFJFBGMPLGZSF-UHFFFAOYSA-N 438.980 6.758 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1-c1nc(Cc2ccccn2)no1 478719842 DQDUOKAAZNKRAN-UHFFFAOYSA-N 431.521 5.061 30 20 IKED C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481709438 COKJELQCKUZMIW-QGZVFWFLSA-N 443.478 6.247 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 482385359 YKVXRYOXQBZGIC-SFHVURJKSA-N 441.400 5.383 30 20 IKED C=CCn1c(SCc2nc(-c3ccco3)no2)nc2scc(-c3ccccc3)c2c1=O 484878371 HXMUAKTXTPYBEP-UHFFFAOYSA-N 448.529 5.246 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 485385109 NIQUYCWVGCYURL-UHFFFAOYSA-N 436.540 5.515 30 20 IKED COc1cc(C[S@@](=O)Cc2cc3ccccc3o2)ccc1OCc1cccc(C#N)c1 486601267 LYPWOWPQJDXOCX-WJOKGBTCSA-N 431.513 5.341 30 20 IKED Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3SC[C@H](C)C#N)o2)cc1C 487216645 DXOGNFHHBFDNQX-CQSZACIVSA-N 438.578 5.336 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1cccc(F)c1)C(C)(C)C 493924241 HAEPNYHLDIUEJK-FOIQADDNSA-N 427.545 5.062 30 20 IKED C=CCN(CCc1ccco1)C(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 496706723 LELPSFWPOFECNZ-UHFFFAOYSA-N 446.931 5.565 30 20 IKED Cc1c(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)sc2ccc(C#N)cc12 501654501 HOQMKDQJAOFCPR-OAHLLOKOSA-N 426.925 5.402 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(OC(C)C)cc2C(F)(F)F)cc1 503195913 ZOUPBPQBVJGQIB-UHFFFAOYSA-N 436.434 5.444 30 20 IKED Cc1ccc(CN(Cc2ccco2)C(=O)Nc2ccccc2SC[C@@H](C)C#N)s1 503225466 LVAYGALTPPDHMV-INIZCTEOSA-N 425.579 6.136 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)c3c(-n4cccc4)sc4c3CCSC4)CC2)cc1 503960509 HYVLUQLFSWSIFM-UHFFFAOYSA-N 431.586 5.129 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)cc1 503976848 MYPACFUMRNTKTN-RUZDIDTESA-N 425.532 5.724 30 20 IKED N#C[C@@H](NC(=O)CCSc1ccc2c(c1)OCCCO2)c1cccc(Cl)c1Cl 505321132 QTUNUJNQLYJWDN-MRXNPFEDSA-N 437.348 5.018 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3ccccc3OCCc3ccccc3)CC2)c(F)c1 505350026 NGALYVYFQTXTOP-UHFFFAOYSA-N 443.522 5.174 30 20 IKED CCCNC(=O)Nc1ccc(CC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 511685855 ITWOJQRUTLVVEK-UHFFFAOYSA-N 428.492 5.063 30 20 IKED N#C[C@H](C(=O)c1cc(F)c(Br)c(Cl)c1)c1nc2ccccc2n1C(F)F 513662690 YSVUIMARRLULSF-SECBINFHSA-N 442.622 5.476 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3cccc(OCCCC#N)c3)cc(-c3cccs3)nc21 516007847 ULEREPPSIRCLGL-UHFFFAOYSA-N 445.548 5.676 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccnc(OCc4ccccc4)c3)n2)cc1 516269901 CPBNEKPWBAJJDO-NRFANRHFSA-N 436.496 5.146 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3oc4ccccc4c3COC(C)C)n2)cc1 516713630 DADYAOBIFUYKMQ-LJQANCHMSA-N 446.528 5.980 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@H](c2ccccc2)N2CCSCC2)cc1 519920301 WNOUAJCNKLELSL-DEOSSOPVSA-N 429.545 5.079 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)c1 520316493 QPCVNBZBHNYUEV-UHFFFAOYSA-N 444.969 5.402 30 20 IKED N#C[C@@H](NC(=O)c1[nH]c2ccc(F)cc2c1Cl)c1ccc(OCc2ccccc2)cc1 521500578 OFMJOFZPVCINGV-OAQYLSRUSA-N 433.870 5.534 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3nc(-c4cc(F)ccc4F)cs3)cc2)nc1 521954965 LDBFHYSKJKGRCT-UHFFFAOYSA-N 434.427 5.400 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3OCc3cscn3)cc2)c1 524390643 YCRURRNPKRUICY-UHFFFAOYSA-N 441.512 5.425 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCc4c(cnn4-c4ccccc4)C3)cc2)cc1 530746155 WIOCCKAQRFILAU-UHFFFAOYSA-N 435.487 5.126 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)NCc1cccc(NC(=O)c2ccccc2)c1 533660462 PBVCYZSTDMGIAB-UHFFFAOYSA-N 431.495 5.408 30 20 IKED CC(C)Cn1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c(C(F)F)n1 534193725 AZIHPPSZRFPRTF-UHFFFAOYSA-N 444.869 6.046 30 20 IKED Cn1c(=O)oc2c(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cccc21 535311914 AAXAHDQHSLSFOG-CYBMUJFWSA-N 444.299 5.052 30 20 IKED COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2Cc2nnc(-c3cccc(C#N)c3)o2)c1 541330557 OXKPTZQWEPAWME-RSXGOPAZSA-N 436.515 5.348 30 20 IKED CC(=O)c1c[nH]c(C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c1 543098499 MHXGFQJQGKSIEH-CYBMUJFWSA-N 446.269 5.288 30 20 IKED Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1NC(=O)c1ccccc1F 544163973 BIVHYJIDSVMUPG-UHFFFAOYSA-N 427.479 5.063 30 20 IKED CC[C@H](CC(F)(F)F)NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 544832961 KPPVQDHHRZFPMI-SNVBAGLBSA-N 447.301 5.371 30 20 IKED C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 549735793 LAUMGCPWSZGBOL-HXUWFJFHSA-N 433.021 5.195 30 20 IKED N#Cc1cc(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)cnc1C(F)(F)F 556373176 BECFHAVHZQZALK-UHFFFAOYSA-N 438.125 5.006 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cc1csc(Cc2cccc(Cl)c2)n1 557611983 UWBVGECMIRHAOU-UHFFFAOYSA-N 443.016 5.312 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 559037161 NUZCXMDRADAAND-UHFFFAOYSA-N 447.457 5.007 30 20 IKED Cc1csc(NC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)c1C#N 561837893 ZKMXVIWILYQLCU-UHFFFAOYSA-N 438.349 5.063 30 20 IKED CCc1ccc([C@H](C#N)NC(=O)c2oc3ccccc3c2CSc2ncccn2)cc1 564213242 PITNBQLQAYXUDP-FQEVSTJZSA-N 428.517 5.072 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@H](c3c(F)cccc3F)C(F)(F)F)cc2)ccn1 570439888 VHPJDDMAGOOLSU-LJQANCHMSA-N 448.351 5.449 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C 571549274 ZYPGSXUDSLXVSZ-UHFFFAOYSA-N 448.596 5.001 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCC2)CC1 574771671 VEPYVKSVPUVLEU-UHFFFAOYSA-N 443.378 5.077 30 20 IKED CC(C)(C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1csc(-c2ccccc2F)n1 576841400 JHSGCQMLKAPGSN-UHFFFAOYSA-N 449.551 5.168 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ncsc2Br)cc1Cl 583893985 YVDDYEXUWUFWAI-AWEZNQCLSA-N 432.730 5.467 30 20 IKED CC(=O)N[C@@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1 604026991 RKOJPIHEZPFOBT-QFIPXVFZSA-N 433.895 5.210 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C)Nc1cccc(OCc2cccc(C#N)c2)c1 604044564 XAJBRPDDVBDSIA-LJQANCHMSA-N 427.548 5.701 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccccc4)C3)cc2Cl)cc1 604090335 VABPLRDDOPUWJM-QHCPKHFHSA-N 433.895 5.609 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 605417310 QMJMLIJOJCBGHT-XMMPIXPASA-N 449.514 5.291 30 20 IKED CCN(CCC(F)(F)F)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F 607214807 ZRMYCCPDEBWIQI-UHFFFAOYSA-N 442.347 6.166 30 20 IKED C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(OCC(F)(F)F)cc1 608805731 CYTAFHAPTBFESC-HNNXBMFYSA-N 444.409 5.162 30 20 IKED Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 608871268 UOSYYBATBONEME-UHFFFAOYSA-N 443.528 5.538 30 20 IKED COc1ccc([C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c2ccccc2)cc1 609497616 OTAOPIYOQQQUEA-SANMLTNESA-N 435.483 5.274 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1)C(C)C 609725947 NESGEAGAISWXNP-UHFFFAOYSA-N 443.572 5.719 30 20 IKED Cc1[nH]nc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1-c1ccccc1 609742684 QFYGMOQDXDTSHE-UHFFFAOYSA-N 428.879 5.955 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)S(=O)(=O)Cc1cccc2cccnc12 609801148 VLRPSUDICRZECP-UHFFFAOYSA-N 445.519 5.091 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1csc(-c2ccoc2)n1 609968023 ZTKGSKUNQBVLEC-UHFFFAOYSA-N 431.492 5.498 30 20 IKED COc1cc([C@H](C)NC(=O)N[C@H](C)c2cccc(C#N)c2)ccc1OCc1ccccc1 610348121 KIVUAKDNIIYRND-MOPGFXCFSA-N 429.520 5.267 30 20 IKED COC(=O)c1sc2ccccc2c1CNC(=O)Nc1ccccc1S[C@@H](C)CC#N 614169553 CHOBDERUTYZCNA-AWEZNQCLSA-N 439.562 5.404 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3SCc3ccco3)n2)cc1 619756456 OZSIPWSIODXKCN-HXUWFJFHSA-N 446.553 6.194 30 20 IKED CC(C)c1noc2ncc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc12 642282141 OFJMAGMFOIOVOC-CYBMUJFWSA-N 430.411 5.465 30 20 IKED O=C(c1cc2ccccc2cc1OC(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 677753768 IUIUMHSMKPYOFS-BETUJISGSA-N 441.318 5.644 30 20 IKED C=CCn1c(SCc2nnc(CC)s2)nc2scc(-c3cccs3)c2c1=O 680016854 OBXPUTLBGAFRPP-UHFFFAOYSA-N 432.621 5.079 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1c(C)nc2c3ccccc3nn2c1C 685473756 BSHLUEFQTUHKOY-UHFFFAOYSA-N 438.984 5.362 30 20 IKED N#C[C@@H](C(=O)c1ccc2c(c1)CCCCC2=O)c1nc2cc(C(F)(F)F)ccc2s1 685783894 HWIOMKDIDFJVAH-INIZCTEOSA-N 428.435 5.714 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)c(C)c(C)c2C)[n+]2ccc(CC)cc2)c1 726572700 JVRNYTCLILDOEI-UHFFFAOYSA-O 441.620 6.075 30 20 IKED COc1ccccc1Cc1nnc(S[C@@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)o1 727266108 RDFMPHAOCYKLBP-PZBNQXIHSA-N 449.576 5.030 30 20 IKED COc1ccc(CCCCCC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 727628635 KYCMOHGWZIDTJK-IBGZPJMESA-N 449.576 5.264 30 20 IKED N#CCOc1ccc(CNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)cc1 727677723 QQLUKMKIQAIJJV-UHFFFAOYSA-N 445.569 5.421 30 20 IKED Cc1nc(SCC(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)c(C#N)c(C)c1C 728034408 OSWONBODDVLLBM-LJQANCHMSA-N 433.499 5.353 30 20 IKED Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(Cl)c1 728297266 GESVHZNLSGIVJI-MRXNPFEDSA-N 437.902 5.677 30 20 IKED C[C@H](OC(=O)CSc1ccc(C#N)cc1)C(=O)Nc1ccccc1Oc1ccccc1 728677161 LGSGCQWUFNOBSB-KRWDZBQOSA-N 432.501 5.013 30 20 IKED Cc1ncccc1/C=C1/CN(Cc2ccccc2Cl)C/C(=C/c2cccnc2C)C1=O 728787901 WGNJFJHXCGCGHL-GACBQCINSA-N 429.951 5.299 30 20 IKED N#C[C@H](C(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)c1ccc2ccccc2n1 730687393 VUSMXHLUBVVVAI-DFBJGRDBSA-N 430.866 6.024 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 730921480 ZELSQACHBADKQE-GVAUOCQISA-N 446.506 6.083 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3COc3cccc(C=O)c3)cn2)cc1 731608575 IMJMCWSMIYGORQ-UHFFFAOYSA-N 449.466 5.389 30 20 IKED Cn1c(C(=O)N(CCC#N)c2ccc(F)cc2)ccc1-c1ccc(Br)cc1 732095368 RMJRVSOINLCFNV-UHFFFAOYSA-N 426.289 5.154 30 20 IKED CN(C)c1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc(Cl)n1 733096105 PWOOZZNNWMZEGL-SFHVURJKSA-N 425.319 5.362 30 20 IKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)(CC)CC)c1 733110945 KTEZGQNSYZWEBT-UHFFFAOYSA-N 434.989 5.030 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccccc2)Cc2ccccc2F)c1 733851619 FKPCOIRGHPSGAS-HSZRJFAPSA-N 431.511 5.419 30 20 IKED C=CC[C@@H](NC(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C)c1ccncc1 734234607 ROJQGHRFPHJVOO-OAQYLSRUSA-N 429.351 5.167 30 20 IKED CN(C)C(=O)c1cccc(COC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 735163928 QSKPKTANBSVTMO-UHFFFAOYSA-N 434.879 5.063 30 20 IKED CC[C@@H](Cc1cccc(Br)c1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 735400239 UIIVKZITQHKKFV-HOCLYGCPSA-N 446.295 5.639 30 20 IKED COc1ccccc1OCc1ccc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)o1 739594243 FWKPQUULAPHXKN-UHFFFAOYSA-N 444.512 5.397 30 20 IKED O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1cccc(-c2ccncc2)c1 741473912 UTDVVRXYBYYMQL-VAWYXSNFSA-N 428.495 5.892 30 20 IKED CC(=NNc1ccnc2cc(Cl)ccc12)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741757050 NROSXBPPFDKRCS-UHFFFAOYSA-N 441.862 5.060 30 20 IKED O=C(/C=C\c1nc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741841118 CXJFBMDPEPPNHE-KHPPLWFESA-N 437.464 5.042 30 20 IKED Cc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1NC(=O)OC(C)(C)C 742657779 XEEAUKOGCYHFQT-GOSISDBHSA-N 434.323 5.644 30 20 IKED C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 743093687 XNZTTYCLLKUJGL-DRLORSAXSA-N 430.596 5.460 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H](O)c2c(F)cccc2Cl)cc1F 743238497 RHQXHQKVAPWJIC-GOSISDBHSA-N 443.837 5.137 30 20 IKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc(Oc2ccccc2)ccn1 745947583 FRIKFNLTAJFSQB-GOSISDBHSA-N 426.259 5.142 30 20 IKED CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1cccc(F)c1 747959535 JOOYOVZPUMCSJX-HSZRJFAPSA-N 442.519 5.046 30 20 IKED C=CCC[C@@H](NC(=O)NCc1ccc(-n2ccnc2C)nc1)c1ccc(C(F)(F)F)cc1 749775323 USUHKEKNVTYWAJ-HXUWFJFHSA-N 443.473 5.101 30 20 IKED CCn1nc(C)c(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1C 750913824 QLDMTOWPJCVJDP-FLIBITNWSA-N 442.346 5.975 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCC2([C@H](O)c3ccccc3)CC2)cc1 752356065 YYMCVXCZHSGTNJ-XMMPIXPASA-N 428.557 5.094 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1 752618739 WFVGXMFEDJNDQA-KRWDZBQOSA-N 446.617 5.097 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 758587570 YZLKMMMTOJHNEF-ZJSXRUAMSA-N 445.519 5.045 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CC[C@@H]3CCCN3C(=O)OC(C)(C)C)n2)cc1 759214088 YAXRHMKFPQKZIK-RBUKOAKNSA-N 439.581 5.475 30 20 IKED CC(C)n1ncc2cc(/C=C\C(=O)c3ccc(N4CCOCC4)cc3Cl)c(Cl)nc21 762437929 HRDNRBBGNOYMHG-UTCJRWHESA-N 445.350 5.052 30 20 IKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H]1CCC(F)(F)C1 763196773 WYYPVIABGWDEGK-MJGOQNOKSA-N 443.519 5.143 30 20 IKED C[C@@H]1CCCCN1CCC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 764052679 NFKYMAILCKPZHF-AJTFRIOCSA-N 444.623 5.850 30 20 IKED C=CCn1c(-c2ccc(F)cc2)nn(CNC2(c3nc(C)cs3)CCCC2)c1=S 764120978 KPQWKTYWQYBQSN-UHFFFAOYSA-N 429.590 5.188 30 20 IKED Cc1nc(CSc2ccccc2C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)cs1 764303061 LTJQOWSAUBEMBU-UHFFFAOYSA-N 444.925 5.429 30 20 IKED O=C(/C=C/c1csc(-c2ccc(Cl)cc2)n1)c1c(F)cccc1N1CCOCC1 764436902 XDWIDDUIIRJGMF-CMDGGOBGSA-N 428.916 5.335 30 20 IKED Cc1occc1C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 764755291 UZXFZOCJNILEGI-UHFFFAOYSA-N 440.180 5.186 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC[C@H]2c2cccc(C)n2)c1=S 765107558 WDAMBYIWITYXOJ-FQEVSTJZSA-N 425.989 5.419 30 20 IKED CC(CSc1ccccc1[N+](=O)[O-])=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1 765574783 CPFZGALIIPURQR-UHFFFAOYSA-N 448.430 5.046 30 20 IKED C#CCOc1ccc([C@H](C)N[C@@H](c2ccc(CC)cc2)c2cccc(S(C)(=O)=O)c2)cc1 766277842 PUQGEDOKTWMCPS-DCFHFQCYSA-N 447.600 5.105 30 20 IKED C[C@@H](CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)C1CCN(C(=O)OC(C)(C)C)CC1 766350447 LMILLOYKHGSXKM-WMLDXEAASA-N 445.560 5.285 30 20 IKED C[C@@H]1C[C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCN1C(=O)OC(C)(C)C 772231371 QDKQRNUCGFGQJD-YSZBQJHXSA-N 448.567 5.252 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2sc(-c3ccccc3F)nc2C)ccc1OC 772977913 CWYYYVAPXZBPIB-QAPCUYQASA-N 439.556 5.798 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CCc3ccc([N+](=O)[O-])cc3C2=O)cs1 773150108 MFOTWRFFHHQRBY-GDNBJRDFSA-N 437.452 5.088 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2nc3ccccc3cc2C)cs1 776785132 DQNKMLQTPQRFQO-UHFFFAOYSA-N 435.940 5.784 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 778263779 AYVYURCHOOCZFF-GOSISDBHSA-N 449.551 5.116 30 20 IKED C=CC[C@@H](C(=O)OCc1csc(N(C(C)=O)c2cccc(Cl)c2)n1)c1ccccc1 778418790 NVAACVQJPVQFGN-OAQYLSRUSA-N 440.952 5.884 30 20 IKED C=C(C)CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 778457658 QJBXEKJSNAQQSX-UHFFFAOYSA-N 447.771 5.096 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(O)(c4c(F)cccc4F)CC3)cc2)cc1 779414165 OKBKPBSFUGQQCY-UHFFFAOYSA-N 449.457 5.144 30 20 IKED CC(C)c1nc(C(=O)Nc2ccccc2O[C@@H](C)C#N)nn1-c1c(Cl)cccc1Cl 780149516 JVBQXSPVCIMDDN-ZDUSSCGKSA-N 444.322 5.241 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12 780168185 WRUMVBVJRIUZAM-KRWDZBQOSA-N 427.479 5.836 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)C3(c4cc(C(F)(F)F)ccc4Cl)CC3)o2)cc1 781422752 ZIPXCMIEYAHIPL-UHFFFAOYSA-N 447.800 5.055 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c1=S 784028604 PDBUXKPNCCSHLZ-SFHVURJKSA-N 445.514 5.128 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)OCc3ccccc3C#N)cs2)cc1 784858697 JIAJNOSOLQUUQS-UHFFFAOYSA-N 449.532 5.310 30 20 IKED C[C@@H](NC(=O)[C@H](C#N)C(=O)CCCCC(=O)c1ccccc1)c1ccc(Cl)cc1Cl 787046286 QBAWHVVNNJYSPB-DNVCBOLYSA-N 445.346 5.323 30 20 IKED Cc1cc([C@H](CC(=O)Nc2ccc(C#N)c(Cl)c2)NC(=O)OC(C)(C)C)cc(Cl)n1 788423770 OGCLNZIDIMTPSW-KRWDZBQOSA-N 449.338 5.163 30 20 IKED N#C[C@H](C(=O)CCc1cnc2ccccc2c1)c1nc2cc(C(F)(F)F)ccc2s1 796649655 IZPHWLYHFSVWAN-MRXNPFEDSA-N 425.435 5.672 30 20 IKED C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 806201040 RRHCXKODQOOGDH-MBSDFSHPSA-N 440.551 5.200 30 20 IKED Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)[C@@H](C#N)c2nc3ccccc3s2)cs1 810521553 PVXGYAUIXVRIAV-MRXNPFEDSA-N 435.549 6.021 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1 811895848 BBUSFMHLJUBZQQ-NZSAHSFTSA-N 443.613 5.160 30 20 IKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(Cl)cc1 916210386 CWSPFPLCFOPFPK-IBGZPJMESA-N 445.972 5.109 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc2c(c1)-c1ccccc1C2 916887043 KRGBIYXNNAIXTB-NRFANRHFSA-N 434.467 5.534 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cnc(-c2ccccc2)s1 916888754 YFOKHICRWRVXMV-HNNXBMFYSA-N 429.473 5.086 30 20 IKED N#C[C@H](C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)Nc1ccccc1 916898823 HQQXLDHUAZADRM-GGAORHGYSA-N 434.948 5.510 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(COc2ccc(F)cc2)o1 916900960 VGXWRNBOYHAVLX-OAQYLSRUSA-N 434.467 5.084 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1sc2cc(Cl)ccc2c1Cl 916924612 ABMMZBHUMQRNFI-ZDUSSCGKSA-N 433.316 5.568 30 20 IKED N#C[C@@H](C(=O)c1ccc(CN2CCCCC2=O)cc1)c1nc(-c2ccc(Cl)cc2)cs1 916976178 MQCFASUJUHUQJV-FQEVSTJZSA-N 449.963 5.466 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@H](C#N)c1ccc2ccccc2n1 920106109 KQRTZKVANCUFDD-HNAYVOBHSA-N 447.947 6.041 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)n1-c1ccc(F)cc1 920140429 HAFAEKQXEPYVNA-QFIPXVFZSA-N 440.503 5.719 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806098 UONRKGRCRFLSQS-QRQCRPRQSA-N 437.471 5.240 30 20 IKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1cccs1 1338308089 CWYIWDWZZLLITG-UHFFFAOYSA-O 426.974 5.446 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)C3CCN(C(C)C)CC3)CCC2)cc1 1786102602 RECUFELZMCBAND-UHFFFAOYSA-N 437.628 5.009 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)cc2)CCC1 1787134836 DJDSRUGICKSDBS-UHFFFAOYSA-N 444.510 5.118 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccoc4c3)cc2)CCC1 1788484157 ARSDHJQEIHOWCZ-OAQYLSRUSA-N 429.520 5.344 30 20 IKED Cc1c[nH]cc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1788732243 VAWSRXMJYMEPOL-KRWDZBQOSA-N 426.520 5.012 30 20 IKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cc5sccc5s4)CCC3)cc2)c1 1790146478 SOQPWWVRXSLFPJ-UHFFFAOYSA-N 446.557 5.224 30 20 IKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@H]4c4ccccc4)cc3)CCC2)cc1 1791527128 NSCNYNDZXHCBNY-IZZNHLLZSA-N 449.554 5.039 30 20 IKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c(-c3ccc(C)cc3)c1)C2 1793048849 FAKHBXLJYQNZPA-BKFWDETESA-N 431.580 5.010 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CCCc3ccccc3F)C2)CC1 1805498157 XSRFGTDYSSBPKW-UHFFFAOYSA-N 442.619 5.372 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3ccoc23)[C@@H]1c1cccnc1 1812227665 CCAZLELMWPQFQC-GMAHTHKFSA-N 445.563 5.140 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2F)[nH]n1 1814830323 UEVMINFJQFRXGD-QFIPXVFZSA-N 449.530 5.104 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c(C(C)(C)C)c2)n[nH]1 1816109433 UUZRHDDHLNRMHB-HXUWFJFHSA-N 437.588 5.110 30 20 IKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4ccccc34)n[nH]2)c1 1818453571 ZDMYPPGRCCYUSF-XMMPIXPASA-N 449.514 5.054 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nc(C(C)C)cs2)[nH]n1 1819553204 ZUGUENIFTNIVHH-GOSISDBHSA-N 443.617 5.288 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)Sc2cccs2)CC1 1828779752 UVFAYFAVNSKSQL-CMKODMSKSA-N 434.671 5.061 30 20 IKED CC(C)=CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828907181 XTVQKDCMEVTRRS-DEOSSOPVSA-N 444.736 5.404 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 1829071292 RYMMEYXPVVUDRC-UBFVSLLYSA-N 436.640 5.402 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(OCC)c2)CC1 1830106432 WCTSKHREMKVQGR-VWLOTQADSA-N 438.612 5.087 30 20 IKED CCCCC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1 1831464368 BYRCKVVFEKNINJ-CYFREDJKSA-N 441.591 5.147 30 20 IKED O=C(/C(=C(\S)Nc1ccc(F)c(Cl)c1)[n+]1cccc(O)c1)c1ccc2c(c1)CCC2 10761112 VZDAXKMSEHFTKX-UHFFFAOYSA-O 441.935 5.012 30 20 IKED N#Cc1ccc(OCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)c(Cl)c1 18963708 KJWOXXSYUHUBFP-INIZCTEOSA-N 427.938 5.091 30 20 IKED C=CCOc1c(Br)cc(CN[C@H]2CCSc3c(F)cccc32)cc1OC 30910194 UTQAMCZLQOGHSH-KRWDZBQOSA-N 438.362 5.488 30 20 IKED CSc1nc(C2CC2)cc(C(=O)NCc2cccc(COCc3ccccc3)c2)c1C#N 60413561 AYJDOOUVTGBFOB-UHFFFAOYSA-N 443.572 5.199 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)COc2ccc3ccc(=O)oc3c2)cc1Cl 107648039 VCCPFYLKJBVENK-OAQYLSRUSA-N 444.874 5.119 30 20 IKED Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)COc1ccccc1C#N 303910979 MTISVVGBUDHQJA-UHFFFAOYSA-N 442.494 5.621 30 20 IKED C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1nc(-c2ccccc2)cs1 410293274 VPXVJQAXQONKKH-INIZCTEOSA-N 429.501 5.345 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1 429368146 DAWZNCGCQRCHON-JTQLQIEISA-N 439.396 7.006 30 20 IKED COCCOc1cccc(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 435068465 VIVZIQNWTLAKNX-QHCPKHFHSA-N 434.923 5.202 30 20 IKED CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 438025238 UTQROOKJWIGATA-KNQAVFIVSA-N 438.959 5.124 30 20 IKED Cn1c(SCc2ccc(C#N)cc2Cl)nnc1SCc1ccc(C#N)cc1Cl 438889636 HUGPEMPQDDBYSK-UHFFFAOYSA-N 446.388 5.450 30 20 IKED N#Cc1ccc(NC(=O)C(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)c(Cl)c1 439625544 RPJKOJNBAZPJPY-UHFFFAOYSA-N 449.860 5.140 30 20 IKED N#Cc1cc(F)ccc1NC(=O)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1 440754796 JPESEBLKXDXLKV-UHFFFAOYSA-N 443.356 5.086 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1ccc2oc(CC)nc2c1)c1ccc(C(F)(F)F)cc1 442086697 YKQMZUNRVUVDAF-KRWDZBQOSA-N 445.441 5.171 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 443925936 WHEXSFBMTJEKFG-IBGZPJMESA-N 440.478 5.173 30 20 IKED CCO[C@@H](C)c1nc(CC(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)cs1 460338542 KOAWRMFWUVIOPZ-INIZCTEOSA-N 439.968 5.542 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N(C)[C@@H](C)c1cnn(C)c1 460959727 OBUODXBCLGTEAO-FQEVSTJZSA-N 442.567 5.031 30 20 IKED C[C@H](C(=O)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1)c1cccc(C#N)c1 461992866 KHCGFZDJWOWFPC-INIZCTEOSA-N 429.907 5.043 30 20 IKED Cc1cc(F)cc2c(N3CCC[C@H](c4nc(-c5cccc(F)c5)no4)C3)c(C#N)cnc12 462816677 MZZXGWLKTDOYDL-INIZCTEOSA-N 431.446 5.127 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2nc3ccccc3s2)s1)c1cc(C(F)(F)F)ccn1 464422464 QKNFFOCOOSTNGL-GFCCVEGCSA-N 429.448 5.929 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)cc1C 465464076 CYCROIRHNZHNSX-OAQYLSRUSA-N 449.558 5.634 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[C@H](C)C(=O)c1cccc(F)c1 469176013 XAELUXJYDMYNNJ-SFHVURJKSA-N 432.470 5.587 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(Sc2ccccc2Cl)nn1 469181234 XMVYXYBZLDPRLT-AWEZNQCLSA-N 440.981 5.785 30 20 IKED C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1NC(=O)Nc1ccccc1SC[C@H](C)C#N 473820325 JECQKZWVCRRQLL-AABGKKOBSA-N 436.625 5.216 30 20 IKED Cc1sc([C@H](C)NC(=O)c2cccc(SCC#N)c2)nc1-c1ccc(Cl)cc1 479206336 HGXLLQMTDUIMLJ-ZDUSSCGKSA-N 427.982 5.879 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2 480305396 FNLWUCXNFRSGKB-UHFFFAOYSA-N 447.988 5.393 30 20 IKED COc1cccc(Cl)c1-c1noc(C)c1C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 483981612 NAJBMJLUMXAUBX-GOSISDBHSA-N 437.927 5.604 30 20 IKED Cc1ccc(-c2cccnc2)cc1NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 484243915 LAMYSWXCCJSVOP-UHFFFAOYSA-N 448.482 5.298 30 20 IKED COc1ccc(NC(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)cc1OCC(F)(F)F 484272750 QSKUKKTUDGBTEF-OAHLLOKOSA-N 440.315 5.201 30 20 IKED CCCCn1ncc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c1C(C)C 485093211 PYFRFGNHGMDOPP-UHFFFAOYSA-N 445.523 5.048 30 20 IKED CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)C(=O)Nc1ccccc1SCCC#N 488403708 CUOKYLPTYAPDHQ-HSZRJFAPSA-N 444.000 5.058 30 20 IKED N#CCC[C@H](NC(=O)c1coc(-c2ccc(Br)cc2F)n1)c1ccccc1 489676293 FWCUBHHDTZISJJ-KRWDZBQOSA-N 428.261 5.018 30 20 IKED Cc1cccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)c1C#N 490241825 GMFRNZNMLBFZCI-NRFANRHFSA-N 438.314 5.018 30 20 IKED O=C(Nc1cc(F)c(OC(F)F)cc1F)c1cnn(-c2ccccc2)c1C(F)(F)F 490290013 SWSFKRJXNARVKI-UHFFFAOYSA-N 433.283 5.023 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 500737249 BKCAVWBGJSAVTM-KNQAVFIVSA-N 439.515 5.207 30 20 IKED N#C[C@@H](NC(=O)c1cccc([C@H]2CCCOC2)c1)c1ccc(OCc2ccccc2)cc1 501131576 YTBBLGKZSIIYHC-AZGAKELHSA-N 426.516 5.154 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)CC2)c1 502671752 SUCYWQBUSZXQKP-UHFFFAOYSA-N 436.515 5.012 30 20 IKED N#CCCN(Cc1cccnc1)Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 505866736 AMOVJBXNRQYBSP-UHFFFAOYSA-N 439.346 5.557 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)N[C@H](C)c2ccccc2OC)cc1 507815367 ZVHWOQQWSUIDQZ-QZTJIDSGSA-N 445.519 5.046 30 20 IKED CCN(C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)[C@H](C)c1ccc(C#N)cc1 509579244 LOZXMFWDQQNYRE-LJQANCHMSA-N 440.572 5.722 30 20 IKED CCN(C(=O)Nc1cc(C#N)ccc1OC)[C@H]1CCSc2ccc(Br)cc21 509993082 RQMMGMSDMHCBET-KRWDZBQOSA-N 446.370 5.420 30 20 IKED CCCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 511777030 MBWPBKOYWZTRLX-UHFFFAOYSA-N 427.504 5.475 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 512782331 GHKVYLDCBRTERK-HNNXBMFYSA-N 439.437 6.205 30 20 IKED COc1ccc([C@H]2CCCCCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 515101002 HNTUIHZLAJGNQV-HSZRJFAPSA-N 446.576 5.763 30 20 IKED Cc1nc(COc2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)cc2)no1 516651400 IGNCQHQNAHDCEJ-UHFFFAOYSA-N 440.459 5.182 30 20 IKED Cc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c2cc(Br)ccc2n1 517517608 DFZOKWOAWOQCLX-AWEZNQCLSA-N 440.366 5.952 30 20 IKED N#Cc1ccc(NC(=O)CNc2cc(C(=O)Nc3ccccc3)ccc2Cl)cc1Cl 518952374 QLHVXPKMBRCTAB-UHFFFAOYSA-N 439.302 5.168 30 20 IKED CCCc1nc(C(=O)Nc2ccccc2SC[C@H](C)C#N)nn1-c1ccccc1Cl 519424219 WDGANNIAEKMOCE-OAHLLOKOSA-N 439.972 5.377 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(Br)cc1Cl 520941381 LUKWTXTYXMAUHG-GFCCVEGCSA-N 438.778 5.818 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(OC)c(Br)c1 523214183 PUGYDTPRZKHBHD-UHFFFAOYSA-N 429.767 5.070 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(-c4ccco4)nc3O)cc2Cl)c1 524119943 SSGOQMJCNSEJBF-UHFFFAOYSA-N 445.862 5.404 30 20 IKED COc1cccc(Oc2ncccc2CNC(=O)Nc2ccccc2S[C@H](C)CC#N)c1 525516852 LTCCDWATAAPGMF-QGZVFWFLSA-N 448.548 5.598 30 20 IKED CN1CCC[C@H](CNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)[C@@H]1c1cccs1 525571092 KLHGCPWDBKSVJC-HYBUGGRVSA-N 430.577 5.176 30 20 IKED N#CCCN(C(=O)CN[C@@H](c1ccc(F)cc1)c1cccs1)c1cccc(Cl)c1 532098997 DWLHENDLQFLFKR-QFIPXVFZSA-N 427.932 5.166 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2Cl)CC1 533854936 NCYNHCDLKUWILN-OAHLLOKOSA-N 432.952 5.227 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H](OC3CCOCC3)c3ccccc3)cc2)cc1 533917846 KQTLQXBKYWMLRK-RUZDIDTESA-N 428.488 5.226 30 20 IKED COc1ccccc1COc1cccc(NCc2nnc(-c3ccc(C#N)cc3)o2)c1C 533955369 KOGJYNOHNTWDPE-UHFFFAOYSA-N 426.476 5.116 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)C3(c4ccc(F)cc4F)CCC3)s2)cc1 537393348 YSSJQQWTJFMOBI-UHFFFAOYSA-N 442.516 5.041 30 20 IKED CC(=O)N(c1nc(CSc2cccc(Cl)c2C#N)cs1)c1c(C)cc(C)cc1C 537846842 NYTCGTUTSHKCDL-UHFFFAOYSA-N 442.009 6.570 30 20 IKED CCN(C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1ccc(C#N)c(Cl)c1 538073034 FDIICKKCPGGRLP-FQEVSTJZSA-N 445.950 5.270 30 20 IKED N#CCC1CCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@H](F)C(F)(F)F)(C4)C3)CC1 541044916 CIFYJFXOWRFSME-KIBZJKDMSA-N 436.440 5.261 30 20 IKED COCCC[C@@H](C)C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 541226897 DODOTKVTLONECQ-NOZJJQNGSA-N 439.318 5.507 30 20 IKED C=CCN(C(=O)c1cccc2nccnc12)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 541585189 SBFBJMPPBPHOLE-UHFFFAOYSA-N 441.343 5.893 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)cc1 547854073 OWRNYBIHTCNWJR-INIZCTEOSA-N 426.826 5.073 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)cc1Cl 548617060 XWWWZLRRKGGOHW-UHFFFAOYSA-N 435.270 5.853 30 20 IKED C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CCC(C(=O)c2cc(F)ccc2F)CC1 549322343 OPOAQCUTELIGOG-UHFFFAOYSA-N 442.535 5.269 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)c1ncc(C#N)cc1C 551404480 DKPRNJVDILHFJB-UHFFFAOYSA-N 427.483 5.559 30 20 IKED O=C([C@H]1CC[C@H](C(F)(F)F)C1)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 552533667 WRKMBSATNJDANY-STQMWFEESA-N 427.360 5.351 30 20 IKED Cc1ccc(-c2cccnc2)cc1NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 553206583 QECMCKYAEGUEOU-UHFFFAOYSA-N 444.966 5.827 30 20 IKED C=CCN(C(=O)COc1ccsc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 556343766 PICUXYFUPLRTLA-UHFFFAOYSA-N 435.914 5.031 30 20 IKED C=CCn1c(CSc2ccccc2OC)nnc1N(C)[C@H](C)c1sc(CC)nc1C 562022973 RDZCZVMQZMBOQB-MRXNPFEDSA-N 443.642 5.290 30 20 IKED N#Cc1cccc(CS(=O)(=O)N[C@@H](c2ccc(Cl)cc2)c2ccccc2Cl)c1 562150605 VIGGQQHRLOWIBQ-NRFANRHFSA-N 431.344 5.074 30 20 IKED CC[C@@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(C#N)c(F)c2)c2cccs2)cc1 576868701 XCJTYXUXSITIGZ-QRQCRPRQSA-N 435.524 5.117 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NC3(c4nccs4)CCCC3)cc2F)c1 582569024 OLTMWRKSLWWCHT-UHFFFAOYSA-N 436.512 5.324 30 20 IKED N#CCn1c(-c2nc(-c3ncoc3-c3cccc(C(F)(F)F)c3)no2)cc2ccccc21 589155149 MCURKXWDUPFRIR-UHFFFAOYSA-N 435.365 5.556 30 20 IKED C=C(C)CN(CC)C(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC 591481953 VSGVPKHWMWULAW-UHFFFAOYSA-N 425.529 5.166 30 20 IKED CCOc1ccccc1CN(CCCn1ccnc1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 603657711 GJDKKMIUIOASQD-UHFFFAOYSA-N 445.567 5.207 30 20 IKED COc1ccccc1OCc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)o1 603968957 OUCCKNLPZANYES-UHFFFAOYSA-N 430.485 5.720 30 20 IKED CCCCN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@H](C)c1ccccc1 604507432 VPZZLVGHBNXPDT-LJQANCHMSA-N 442.519 5.074 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cnn(-c4ccccc4Cl)c3)c2)c1 604510967 ZHFSBUVJBZBYCY-UHFFFAOYSA-N 428.879 5.229 30 20 IKED N#Cc1cnn(-c2ccc(C(=O)Nc3ccc(Oc4cccc(Cl)c4)cc3)cc2)c1N 608925424 IILWMJWDEAGJJF-UHFFFAOYSA-N 429.867 5.024 30 20 IKED C=C(C)COc1cccc(NC(=O)c2ccccc2SCc2occc2C(=O)OC)c1 608947458 ZMSDZHLJSMNELC-UHFFFAOYSA-N 437.517 5.566 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)s2)c(C)c1 609185858 QZHJFPGIFPSPGU-UHFFFAOYSA-N 431.561 5.291 30 20 IKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccc(Cl)cn1 609387068 JDSWZNLSNVYFRD-LLVKDONJSA-N 428.867 5.199 30 20 IKED CC[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)C1CCCCC1 609406630 ZUKKFESCWXIUBB-INIZCTEOSA-N 441.519 5.125 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC[C@H]3CCCO[C@@H]3c3ccccc3)cc2)cc1 609501928 JQIWGTLZQXIYLU-ZEQKJWHPSA-N 426.516 5.443 30 20 IKED Cc1ccc(-c2nc(CC(=O)NC3CCC(Oc4ccccc4C#N)CC3)cs2)cc1 609508704 KCNBXXDLNFYBEW-UHFFFAOYSA-N 431.561 5.039 30 20 IKED C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 609927712 JAHCHYWUHONUOV-LAUBAEHRSA-N 442.494 5.360 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4c[nH]c5ncccc45)CC3)cn2)cc1 610321563 XOTVNSIQSUZGMX-UHFFFAOYSA-N 438.491 5.033 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(OCc2ccccc2F)CC1 611261353 LKIYCOQXZCRKGB-KRWDZBQOSA-N 427.545 5.433 30 20 IKED Cc1nc(-c2cccs2)sc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613403626 FJFIXJDQELYIMG-LLVKDONJSA-N 449.504 6.299 30 20 IKED C=C(C)CN(CC)C(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1[C@@H](C)c1ccccc1 614097063 WMZJMDBJLHPSBH-PMACEKPBSA-N 434.609 5.460 30 20 IKED C=CCn1c(C)cc(C(=O)Cc2nc(O)c3c(-c4ccc(F)cc4)c(C)sc3n2)c1C 614109328 VDFJZROZFHLITJ-UHFFFAOYSA-N 435.524 5.541 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3c(F)ccc(Br)c3F)cn2)cc1 618638554 FQPIHGVCSMJEGD-UHFFFAOYSA-N 430.208 5.039 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 618766166 GXUMMWMECJGOIO-IRXDYDNUSA-N 427.348 5.167 30 20 IKED C=CCOc1c(Br)cc(CN[C@H]2CSCc3ccccc32)cc1OCC 620758811 BTNOXGOLXWEBMS-IBGZPJMESA-N 434.399 5.490 30 20 IKED N#C[C@@H](C(=O)c1ccccc1Oc1cccnc1)c1nc2cc(C(F)(F)F)ccc2s1 623036520 VOTJMXCEXCRRFC-INIZCTEOSA-N 439.418 5.992 30 20 IKED O=C(Nc1ccc(F)cc1OC1CCCC1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 676276903 XPIUJTXAJZUNCT-CHWSQXEVSA-N 428.348 5.352 30 20 IKED Cc1noc(-c2ccccc2C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)n1 679537688 HMHVLQYQPJYUCR-AWEZNQCLSA-N 428.395 5.164 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccc(OC(F)(F)F)cc3)n2)cc1 727632316 QJQZUKDRWXNJFE-SFHVURJKSA-N 441.434 5.389 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)cc1Cl 730688140 SAIQGRWTAMBOPO-RBSFLKMASA-N 437.710 5.106 30 20 IKED COc1ccccc1C[C@@H](C)CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 730694130 KXYWIIPFJGQUHZ-ZBFHGGJFSA-N 426.488 5.542 30 20 IKED CCCCCCNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 731400449 OJQMVAZHUCZKOK-MOPGFXCFSA-N 430.618 5.021 30 20 IKED CC(=NNc1ccc(Br)cc1C(F)(F)F)c1cccc(N2CCOC2=O)c1 731487421 UIKMGCGERSRDCT-UHFFFAOYSA-N 442.235 5.261 30 20 IKED CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 732085949 UNLXHIZNTNYXJY-UHFFFAOYSA-N 449.551 5.016 30 20 IKED C#CCN(Cc1nc2ccccc2n1C(F)F)[C@@H]1CCOc2ccc(Br)cc21 733613518 AITQNYQEJMUYPC-QGZVFWFLSA-N 446.295 5.153 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)COc2ccc(-c3ccccc3)cc2Cl)c1 733771303 RILWPSYGEAEUQW-NRFANRHFSA-N 434.923 5.383 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)c1 733772859 HWBDZESKUBWPEN-QFIPXVFZSA-N 440.499 5.623 30 20 IKED O=C1/C(=C/c2cc(F)ccc2F)CC(O)(C(F)(F)F)C/C1=C\c1cc(F)ccc1F 735792707 JGKMRAISZRIYCO-ACFHMISVSA-N 430.319 5.366 30 20 IKED Cc1nn(-c2ccccc2)c(Cl)c1/C=C\C(=O)c1cnn(-c2ccc(C#N)cc2)c1C 741845337 VGUMGPSJQIPPEN-SEYXRHQNSA-N 427.895 5.096 30 20 IKED Fc1ccc(NC(=S)NCc2ccc(OC(F)(F)F)cc2)c(OCC(F)(F)F)c1 742999138 JPJRDYFRZNNIJH-UHFFFAOYSA-N 442.356 5.152 30 20 IKED Cn1cc(C=NNc2nc3cc(C(F)(F)F)ccc3s2)c(-c2ccc([N+](=O)[O-])cc2)n1 743444246 JKJKQZMQBTVHRE-UHFFFAOYSA-N 446.414 5.070 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(Cc2ccccc2)C(=O)N[C@H]1c1scnc1C 743738131 AYDZPZHAPCASDJ-HXUWFJFHSA-N 437.952 5.372 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3cccc(OCc4cccc(Cl)c4)c3)o2)cc1 744849091 GZERWWVFMOGMKD-UHFFFAOYSA-N 445.862 5.198 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(Cl)cc(Br)c1 747204991 NIFOSOIRZGVZQF-QGZVFWFLSA-N 433.733 5.188 30 20 IKED COc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1F 751835873 VRUYYPCYRGQMSW-CYBMUJFWSA-N 444.434 5.075 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(C)C2c3ccccc3-c3ccccc32)cc1C#N 752305152 LPLFEEGKGIZNEC-UHFFFAOYSA-N 426.476 5.360 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1-c1ccccn1 754818241 NVKKYZDZGXVRST-GOSISDBHSA-N 440.286 5.025 30 20 IKED COc1ccc2c(c1)C(=O)/C(=C\c1csc(N(C(C)=O)c3ccc(F)cc3)n1)CCO2 763106623 WFKRYWUZVADONE-PTNGSMBKSA-N 438.480 5.024 30 20 IKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H]1CCC(F)(F)C1 763196765 WYYPVIABGWDEGK-HKUYNNGSSA-N 443.519 5.143 30 20 IKED N#Cc1cc(NC(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)c(Cl)c([N+](=O)[O-])c1 764300570 AFNJOXSULKAFKB-FQEVSTJZSA-N 441.871 5.731 30 20 IKED N#Cc1cc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c(Cl)c([N+](=O)[O-])c1 764301205 FZFDEQKFOPRUJB-UHFFFAOYSA-N 437.799 5.024 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CC[C@H](CC(F)(F)F)C2)c1=S 766121496 VUBDLUZHDJOAOK-CQSZACIVSA-N 446.926 5.064 30 20 IKED Cc1oc(-c2ccccc2F)nc1C(=O)OC[C@@H](C#N)Cc1cccc(Br)c1 774389906 CPINNYNZVBDADM-OAHLLOKOSA-N 443.272 5.091 30 20 IKED C=CC[C@H](NC(=O)N1CCC(COc2ccccc2C(F)(F)F)CC1)c1ccncc1 776151223 YLGRNVMQEBYXAS-FQEVSTJZSA-N 433.474 5.218 30 20 IKED O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 779135210 LGTYPYDJRURGNL-UHFFFAOYSA-N 445.354 5.304 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H](Oc1cc(Cl)ccc1Cl)c1ccccc1 780163010 GLEYWGDOOKEDSX-OYHNWAKOSA-N 441.314 6.043 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)Nc3ccccc3O[C@H](C)C#N)s2)cc1 780672724 IRMMQMQNSIDZSN-GDBMZVCRSA-N 436.537 5.301 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1 780748949 KRGLQQJYKWHDDV-BXKMTCNYSA-N 436.964 6.092 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)O[C@H](C)C(=O)Nc1ccccc1C#N 781719781 JVGDBQXOHXEWLO-GFCCVEGCSA-N 444.274 5.013 30 20 IKED C[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1ccc(-c2cccc(C#N)c2)cc1 782523176 IJLWVPAZMOREIO-MHECFPHRSA-N 443.510 5.113 30 20 IKED CC[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(Br)ccc1O 786962622 YSMXDBXHLVEPQD-IBGZPJMESA-N 442.357 5.301 30 20 IKED N#C[C@H](C(=O)C1(c2ccccc2Br)CC1)c1nc2ccccc2n1C(F)F 789349341 WHUBXRBGVFCTFR-GFCCVEGCSA-N 430.252 5.102 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 789718115 FHEZTWAOSRUIEG-UHFFFAOYSA-N 449.016 5.521 30 20 IKED Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)C(F)(F)c2c(F)cccc2F)n1 791026812 DKWONYFFGKNQOR-UHFFFAOYSA-N 433.283 5.073 30 20 IKED Cc1nc(CCC(=O)OCc2ccc(C#N)c(F)c2)oc1-c1ccc(Br)cc1 791375340 VEOCUDDSIRSFNY-UHFFFAOYSA-N 443.272 5.099 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(C(=O)Nc3cccc(OCCCC#N)c3)ccc21 793119709 ZTXOKXVHKSSWLB-UHFFFAOYSA-N 435.524 5.309 30 20 IKED C[C@@H](C#N)Oc1ccc(CNc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)cc1 793595696 VUXPYFXWISOQLR-FNZWTVRRSA-N 425.532 5.567 30 20 IKED CCc1onc(-c2ccc(Br)cc2)c1C(=O)Nc1ccccc1O[C@@H](C)C#N 796924246 RJGKOFBGJXTPTL-ZDUSSCGKSA-N 440.297 5.210 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)c1ccc(C(C)(F)F)cc1)c1ccc(Cl)cc1Cl 797147093 ORJVQNGOESVDBP-MEDUHNTESA-N 425.262 5.305 30 20 IKED C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 797615435 HETQPZGWSNCWDS-MGPUTAFESA-N 435.911 5.159 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)c2ccc(Oc3cccnc3)cc2)cc1C#N 808840195 XJZVCICVIRXDCL-MRXNPFEDSA-N 445.479 5.197 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1cccc(F)c1C#N)C(=O)c1ccccc1 811686948 ALJGYVHIURYGON-CJLVFECKSA-N 426.491 5.727 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)c1 812510061 VWYFXSQHTGMZAD-RHSMWYFYSA-N 433.321 5.079 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])c2)c1 812910907 GYNFQMIUBIZOIK-UHFFFAOYSA-N 442.258 5.605 30 20 IKED O=C(CSC(F)(F)F)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 915869705 HLTBCIYHDVHDHM-UHFFFAOYSA-N 440.340 5.288 30 20 IKED Cc1cc(C)c2c(-n3cccc3)c(C(=O)Nc3nc(C)c(SCC#N)s3)sc2n1 916089585 IEDVPSSNEJEIGG-UHFFFAOYSA-N 439.591 5.337 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)ccc1OC 916127619 BBEGCDDQGYXSBI-DHDCSXOGSA-N 431.488 5.008 30 20 IKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1Cl 916209578 NWWRAALKSLGRGG-LJQANCHMSA-N 427.957 5.103 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 916912687 SIPSLLLBQKIYGD-CQSZACIVSA-N 449.746 6.336 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCCc2nc(-c3ccc(F)cc3)no2)cc1 916948282 FXBIBLGFDJUVQW-IIBYNOLFSA-N 448.498 5.059 30 20 IKED N#C[C@H](C(=O)CSc1cccc(C(F)(F)F)c1)c1nc2ccccc2n1C(F)F 917039714 BZZXKGDBTNHMFI-CYBMUJFWSA-N 425.382 5.419 30 20 IKED CCOc1cc2c(cc1/C=C/C(=O)[C@H](C#N)c1nc3cc(Cl)ccc3s1)O[C@H](C)C2 917046544 KVLFZRQNJPDUNS-UECWQGKISA-N 438.936 5.561 30 20 IKED COc1ccc(N2CCCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)cc1 918036225 XGOJBZKULHLRRO-AREMUKBSSA-N 440.547 5.095 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1csc(-c2ccc(Cl)s2)n1 920110540 RNRGJCFMRKBOMD-CQSZACIVSA-N 437.933 5.639 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCC(=O)c3c(C)cc(C)cc3C)n2)cc1 920139815 YXPOCXYVPSDNMZ-NRFANRHFSA-N 446.572 5.973 30 20 IKED N#C[C@@H](C(=O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccncc2)cs1 920265853 VLDMYWCJMGWDFJ-HNNXBMFYSA-N 432.332 5.547 30 20 IKED C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 920765643 AZNJBCGFYSTCRG-MGPUTAFESA-N 435.867 5.310 30 20 IKED CC(C)c1sc(NC(=O)CN2CC=C(c3ccc(C#N)cc3)CC2)nc1-c1ccccc1 1658089976 QHCFBCIWMKXQFP-UHFFFAOYSA-N 442.588 5.533 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc(C(C)(C)C)nc3)cc2)CCC1 1785775629 CFAVYZZXIPKKQZ-UHFFFAOYSA-N 437.609 5.046 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C[C@H]4CCCCO4)cc3)CCC2)c1 1786648765 AZLMMDLLZPDIML-NTKDMRAZSA-N 445.563 5.021 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5cnccc5c4)CCC3)cc2)c1 1790257132 IZJQMOAQNCZAPE-UHFFFAOYSA-N 446.510 5.168 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCCC(F)(F)F)CCC3)cc2)cc1 1790285661 NPEXZKNWLOFGLI-UHFFFAOYSA-N 429.442 5.039 30 20 IKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3c(F)cc(Cl)cc3Cl)cc2)CCC1 1790721263 YSJKNXWJSXNNRY-LLVKDONJSA-N 441.355 5.199 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccc(OC)cc4[nH]3)CCC2)cc1 1791247639 CIJKTNLAMIWEAQ-KRWDZBQOSA-N 431.536 5.136 30 20 IKED C[C@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1)c1cccs1 1791815779 LJRYFCVJKMCXBW-SFHVURJKSA-N 443.572 5.366 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(OC)ccc2C)n[nH]1 1821173868 WCGJCCKNRPFRRZ-NRFANRHFSA-N 438.572 5.025 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2c(F)cccc2F)CC1 1823753941 QNLORFSVBZGGFZ-HSZRJFAPSA-N 446.582 5.119 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccn(C)c23)CC1 1828277913 DOEWWUKGLPDWNN-XMMPIXPASA-N 449.639 5.404 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](c2ccccc2)C(C)C)CC1 1832024942 LHGYVUCZESBNGI-XNMGPUDCSA-N 436.640 5.240 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)cc3)CC2)C1 1832699307 YQDVKTLDQJLHGF-MHZLTWQESA-N 442.603 5.553 30 20 IKED O=C(/C(=C(\S)Nc1ccc(Cl)c(Cl)c1)[n+]1ccccc1)c1ccc2c(c1)CCC2 11159606 OJUCKVHNDIROLE-UHFFFAOYSA-O 442.391 5.821 30 20 IKED Cc1ccc(Sc2ccc(NC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)cc2)c(C)c1 16178444 FKJUNQHWDIEEIN-UHFFFAOYSA-N 431.561 5.203 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)nc2ccccc2c1=O 23349143 ZZNAQQUCFUHTGY-ZWKOTPCHSA-N 443.572 5.094 30 20 IKED O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 24372907 HWJREYKQDCTCOR-UHFFFAOYSA-N 433.283 5.181 30 20 IKED COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 25437879 IGTBJMACSKRUDX-UHFFFAOYSA-N 436.515 5.601 30 20 IKED COc1ccc(NC(=O)[C@H](Sc2nc(C)nc(C)c2C#N)c2ccccc2)cc1Cl 25456172 BTXKWKPFWRMCPQ-HXUWFJFHSA-N 438.940 5.099 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 46879951 QMHASEIOQYVSCO-OAHLLOKOSA-N 434.477 5.082 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)c2C#N)C1 57759371 MEIKCOKTHANXTF-NSHDSACASA-N 444.969 5.179 30 20 IKED CSc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1[N+](=O)[O-] 195707076 TVABVDRNNBYQMW-UHFFFAOYSA-N 433.489 5.214 30 20 IKED COc1ccc(CN[C@@H](c2ccccc2)c2nc3ccccc3n2C)cc1OCCCC#N 237549314 NCUBWEINBFCGEG-SANMLTNESA-N 440.547 5.144 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 301643317 HBCLEUVSFLBMAC-UHFFFAOYSA-N 430.257 5.464 30 20 IKED C=CCn1c(Sc2nc(C)nc3sc4c(c23)CCC4)nnc1-c1ccccc1OC 302920584 JCYCARXRQSZSPW-UHFFFAOYSA-N 435.578 5.093 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)N[C@@H](C)c1ccc(Br)cc1 303366804 RIEBOBCSGCBZLH-GJZGRUSLSA-N 432.387 5.133 30 20 IKED CN(C(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 426472875 WAYAZERRIUMEML-KDURUIRLSA-N 432.511 6.044 30 20 IKED CCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H](C)Cc1ccsc1 429362205 LSFXDDUIEIVYTJ-LJQANCHMSA-N 433.577 5.878 30 20 IKED Cc1cccc(-n2ncc(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)c2C(F)(F)F)c1 435359408 XECGMZASORNPAI-UHFFFAOYSA-N 428.414 5.111 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(Br)c(Cl)c1F 435866435 VKVCEAVNHGEDHP-SNVBAGLBSA-N 427.726 5.746 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ncc(Cc2cccc(Br)c2)s1 438551336 FJCRMKSMJKQUOL-UHFFFAOYSA-N 441.354 5.032 30 20 IKED CCCc1c(NC(=O)Nc2cc(-c3ccnn3C)ccc2C)cnn1-c1cccc(C#N)c1 439370756 NTPMKCBDUAUXHQ-UHFFFAOYSA-N 439.523 5.049 30 20 IKED N#Cc1ccc(NC(=O)C(=O)N(Cc2ccccc2F)C2CCCCC2)cc1C(F)(F)F 439656279 YVEQUTAXTQSDIL-UHFFFAOYSA-N 447.432 5.016 30 20 IKED COc1cc(CNCC2CCC(C#N)CC2)ccc1OCCOc1ccccc1Cl 441332335 QXPYGBOVUAVHKX-UHFFFAOYSA-N 428.960 5.226 30 20 IKED N#CC1CCC(CNC(=O)Nc2ccc(Cl)cc2-c2nc(C3CCCC3)no2)CC1 441634362 JDJMGJAIPDSMHI-UHFFFAOYSA-N 427.936 5.499 30 20 IKED Cc1nc(C2CCCC2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 442674865 AFCQVQBZYJVOHA-MRXNPFEDSA-N 427.982 6.376 30 20 IKED C=CCN(C(=O)Cc1csc(NC(=O)C(C)(C)C)n1)c1nc(-c2ccccc2)cs1 443816931 PCHBDDJQQJKDHZ-UHFFFAOYSA-N 440.594 5.013 30 20 IKED CC(C)c1nn(C)c2sc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)cc12 443874482 HATPCUFAVPCGSK-UHFFFAOYSA-N 432.574 5.709 30 20 IKED N#CCCCn1cc(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)c2ccccc21 444366244 WFYLFXDDEWVSFB-UHFFFAOYSA-N 439.903 5.508 30 20 IKED N#CC(CCN1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1)(c1ccccc1)c1ccccc1 444690609 UPUIJONGIKWGES-SANMLTNESA-N 441.619 5.001 30 20 IKED Cc1cc(Br)ccc1CN(C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N 444706102 BZZOQVSCTFLTOP-INIZCTEOSA-N 446.414 5.222 30 20 IKED Cc1cc(C)c(-c2csc(NC(=O)Cc3noc(-c4ccc(CC#N)cc4)n3)n2)cc1C 445421544 HTDMEBXBZAICOR-UHFFFAOYSA-N 443.532 5.033 30 20 IKED CC(C)c1ccc([C@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC2)cc1 461594413 DMQCBDSAMQAGKB-SQJMNOBHSA-N 441.579 5.318 30 20 IKED C[C@@H](CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(F)c(Br)c1 462029971 XLISFQNTPDWVJS-HNNXBMFYSA-N 445.332 5.023 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](CSc2ccccc2)C1 464753882 BTZBHMBHTNOMJE-OALUTQOASA-N 425.623 5.134 30 20 IKED CCc1ccc([C@@H](COC)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)o1 466069683 RREJFPVRMXIJST-RBBKRZOGSA-N 437.927 5.660 30 20 IKED Cc1cnc([C@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C2CC2)s1 466117909 SJZLBHLXPFKLEQ-JOCHJYFZSA-N 434.540 5.325 30 20 IKED C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)c1cccc(SCC#N)c1 469299326 GXWBTJYYMXMSPC-XIKOKIGWSA-N 433.396 5.278 30 20 IKED O=C(c1cc(F)ccc1F)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469762321 CUMOEYMNZLQGMS-INIZCTEOSA-N 439.302 5.216 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 474436268 CZYVNPWEYATWIU-GOEBONIOSA-N 435.509 5.233 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)CCC1CCN(C2CCN(C)CC2)CC1 475563647 RKTUTYUYAZOOSX-UHFFFAOYSA-N 440.676 5.199 30 20 IKED CCOC(=O)c1ccc(C#N)c(S[C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)n1 477523849 QSSGGUPUJCZEPN-CYBMUJFWSA-N 427.913 5.600 30 20 IKED Cc1nc(NC(=O)Cc2c(F)cccc2C#N)sc1-c1nc2ccccc2n1C(F)F 478684071 AXXIDZXQHBMDLZ-UHFFFAOYSA-N 441.438 5.055 30 20 IKED CCN(C(=O)NC1CCC(Oc2ccccc2C#N)CC1)[C@H](C)c1cc2ccccc2o1 479186888 FJHZFPOHEMFDFR-OSFYOIPJSA-N 431.536 5.787 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1 479513625 OSVMJMKEFYYLNK-UHFFFAOYSA-N 426.541 5.445 30 20 IKED CCN(C[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1)CC(F)(F)F 480550324 HMLYPXRYOWUPBS-GOSISDBHSA-N 446.473 5.089 30 20 IKED CC(C)c1ccc([C@@H]2CCCCN2C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)cc1 480996630 DWYNRCNLDRNBKY-JPYJTQIMSA-N 439.581 5.255 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCc1nc(-c2ccc(Cl)cc2)no1 481363214 JAYXFMQIXNTAJT-UHFFFAOYSA-N 439.928 5.039 30 20 IKED CC(C)n1cc2c(n1)C[C@H](NC(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)CC2 483054120 QSVCQLJTCREAMU-IFMALSPDSA-N 447.970 5.452 30 20 IKED Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1-c1ncco1 483787101 MCKGXHPONWTMNX-UHFFFAOYSA-N 440.478 5.895 30 20 IKED N#CCCC[C@@H](NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1ccccc1 487456387 TUKFKAGJVTVSNP-OAQYLSRUSA-N 439.968 5.469 30 20 IKED C=CCN(CCc1ccco1)C(=O)Nc1cc(Br)ccc1Br 490756158 HVEZTPPMOYXTIN-UHFFFAOYSA-N 428.124 5.067 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 494067769 BRWZZAOSUNFFQM-IAGOWNOFSA-N 440.638 5.828 30 20 IKED COc1ccc2cc(-c3nn(-c4ccccc4)cc3CN(CCC#N)CCC#N)ccc2c1 499213930 VEBLFLIILGWTDT-UHFFFAOYSA-N 435.531 5.330 30 20 IKED CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 507769305 JPVXDOKUESVAFJ-UHFFFAOYSA-N 434.342 5.269 30 20 IKED C[C@H](COc1ccc(F)cc1F)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 509068355 XEAHKMGAIZIIQZ-MRXNPFEDSA-N 438.499 5.326 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1C(F)(F)F 509110351 MJYXECLUMLJSPS-MRXNPFEDSA-N 440.490 6.360 30 20 IKED CC1(C#N)CCN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CC1 509411590 SEZNIUCVGNDMFF-NBVRZTHBSA-N 446.532 5.287 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCCC[C@@H]2c2ccncc2)cc1Cl 510052815 BZWDKNVWTUDDIN-UKILVPOCSA-N 444.966 6.540 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1ccc(Oc2cccc(Br)c2)nc1 510254723 PVINAAPTKIPPBN-UHFFFAOYSA-N 438.281 5.159 30 20 IKED CN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@@H]1CCc2ccccc2C1 512549072 LMABMROKNVHNCL-HSZRJFAPSA-N 429.495 5.298 30 20 IKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nc(-c2ccncc2)cs1 512970893 XDMSYXWPEDMFPV-KRWDZBQOSA-N 430.514 5.009 30 20 IKED C[C@@H]1CCCN(c2ccc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)cc2[N+](=O)[O-])C1 514607535 FQSRBFUWDSYDRG-OAHLLOKOSA-N 447.520 5.079 30 20 IKED C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(n2c(C)nc3ccccc32)CC1 515162751 NXLLXHLHAFFGTG-UHFFFAOYSA-N 449.562 5.179 30 20 IKED COC(=O)c1c(F)ccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1F 516120449 IQFKBQCXYOARED-CQSZACIVSA-N 435.430 5.173 30 20 IKED CN(Cc1ccccc1)c1ccccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 517100935 LLHMSPRGCOYFFL-UHFFFAOYSA-N 440.547 5.270 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NCc3cccc(CN4CCCCCC4)c3)cc2)nc1 521115098 SAMVBOAXBCDPPX-UHFFFAOYSA-N 440.547 5.052 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(CCc3ccccc3)Cc3cccnc3)cc2)cc1 521366831 SWIUTAKDBZULIY-UHFFFAOYSA-N 448.526 6.022 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2Cc3ccccc3-c3ccccc3C2)cc1 522425239 TWHNJQUTWBLVBX-UHFFFAOYSA-N 437.543 5.716 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)c1 523275856 PUHCUQGSADSCMW-UHFFFAOYSA-N 445.862 5.823 30 20 IKED Cn1nc(-c2ccccc2)c2c(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)[nH]nc21 523734249 KHEQNTFFBRGMFX-UHFFFAOYSA-N 448.486 5.074 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N[C@@H](Cc3ccccc3)c3cccs3)o2)cc1 523887511 OSCHVYSVSSSNFL-QFIPXVFZSA-N 428.513 5.506 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N[C@@H]3C[C@H]3c3ccccc3C(F)(F)F)o2)cc1 524379731 URDCDDWHCVIICY-AZUAARDMSA-N 426.394 5.035 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(O[C@@H](C)c2ccccc2)cc1C 524435883 SRRSPAPMRFWDNJ-NRFANRHFSA-N 425.532 6.227 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)NCc3csc(-c4ccccc4)n3)c2)c1 524550008 CGUIEVGDLISILU-UHFFFAOYSA-N 425.513 5.191 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ncoc3-c3ccccc3Cl)c2)c1 524727598 DHLGPCYTUUZOEM-UHFFFAOYSA-N 442.862 5.371 30 20 IKED CN(C)c1ccc(-c2cncc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)c2)cc1 532908535 BHODAGPSENJLBI-UHFFFAOYSA-N 425.517 5.062 30 20 IKED CSc1ccc([C@H](CNC(=O)c2ccc(CC#N)cc2)N2CCc3sccc3C2)cc1 534636684 OTNCJHGGCNSYMH-QHCPKHFHSA-N 447.629 5.065 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccccn2)nc2ccccc12)c1nc2ccccc2n1C(F)F 536202544 CTACAZMVOYPOOW-KRWDZBQOSA-N 439.425 5.532 30 20 IKED C[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 536880052 WWWNQZYHCMTNRE-QGZVFWFLSA-N 435.511 5.124 30 20 IKED C[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(OCc2ccc(F)cc2)cc1 537101982 KPNFGNFJZGGOEC-QGZVFWFLSA-N 428.467 5.177 30 20 IKED N#CC1(CCCN[C@@H](c2ccccc2)c2ccc(Br)cc2F)CCOCC1 537508580 WNKPZVVJTRHOSE-NRFANRHFSA-N 431.349 5.368 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@H](c3ccccc3)[C@H]3CCOC3)cc2F)c1 539029992 PZABZXMQEQBVRP-SQJMNOBHSA-N 445.494 5.176 30 20 IKED C[C@H](NC(=O)[C@H]1CCCCN1C(=O)c1cccs1)c1ccc(-c2cccc(C#N)c2)cc1 541108696 ILASFPXRNRETOO-FDDCHVKYSA-N 443.572 5.159 30 20 IKED Cc1coc(-c2ccc(C)c(NC(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)c2)n1 543884688 PHSBFEUMZBCOPK-UHFFFAOYSA-N 432.871 5.313 30 20 IKED N#CCCCn1cc(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc21 554628552 TZYRUKPGXYEDDQ-UHFFFAOYSA-N 443.334 5.010 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N(C)Cc1cc(C)on1 555272219 GVNYSRUTCMPVRN-UHFFFAOYSA-N 429.524 5.033 30 20 IKED C=CC1CCN(c2nnc([C@H](C)Oc3ccc4ccccc4c3)n2C[C@H]2CCCO2)CC1 555393422 ACRPGQMLAQREDW-YADARESESA-N 432.568 5.153 30 20 IKED COc1ccc(CN(C(=O)Nc2cc(C#N)ccc2OC(F)F)[C@H](C)C2CC2)c(OC)c1 558745717 GKZVUYVYZAALTR-CQSZACIVSA-N 445.466 5.009 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1 561186147 XQQPXMULOSOSOU-TWJOJJKGSA-N 438.527 5.304 30 20 IKED O=C(Nc1cccnc1C(F)(F)F)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 571239589 FRAGWDXRILEGQW-LLVKDONJSA-N 429.267 5.127 30 20 IKED COc1c(Br)cc(Cl)cc1NCc1cn(CCC#N)nc1-c1ccccc1 578922764 WSEADCHMUFTVKT-UHFFFAOYSA-N 445.748 5.500 30 20 IKED Cc1nc(O)c(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1-c1ccccc1 582761526 WSVCGVIWXCXTFU-AREMUKBSSA-N 449.510 5.336 30 20 IKED N#Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)c(C(F)(F)F)c1 602762720 ZKUCNUNEPAGPAJ-NRFANRHFSA-N 437.377 5.077 30 20 IKED C=CCN(C(=O)CS[C@H](C)c1nc2ccccc2[nH]1)c1nc(-c2ccccc2)cs1 603458718 IAHHAGZNSJRGLW-MRXNPFEDSA-N 434.590 5.700 30 20 IKED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CSc1ccc(-c2ccccc2)cc1 603916599 FAPZQQXHRKLNPF-UHFFFAOYSA-N 433.577 5.411 30 20 IKED C=CCOc1cccc(NC(=O)N2CCC([C@@H](CC(=O)OCC)c3ccccc3)CC2)c1 604364505 KSAUCUNVXCWEGL-DEOSSOPVSA-N 436.552 5.232 30 20 IKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc4cccc(C)c4[nH]3)nn2-c2ccccc2)cc1 605363020 DAYXRUXJOQMDIL-OAQYLSRUSA-N 447.498 5.223 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)cc1Cl 608840718 AYWBUFSZMSSASW-GPXOXTDOSA-N 445.950 6.037 30 20 IKED N#Cc1ccc(N2CCC(NC(=O)Nc3ccc(Oc4ccccc4Cl)cc3)CC2)nc1 608994209 WHWLHEVTYUARCQ-UHFFFAOYSA-N 447.926 5.189 30 20 IKED Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 609063487 APFAEJSKQOIOMP-UHFFFAOYSA-N 449.510 5.157 30 20 IKED CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609436990 IZQJRDMQMLTBTQ-UHFFFAOYSA-N 442.519 5.106 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)NC[C@@H]3CCCO[C@@H]3c3ccccc3)c2)cc1 609643340 XJKQCISESUXIOQ-AZGAKELHSA-N 426.516 5.035 30 20 IKED N#CCn1c(C(=O)Nc2ccnc(Oc3ccccc3Br)c2)cc2ccccc21 609816145 PMLNGIVNVHQVHP-UHFFFAOYSA-N 447.292 5.367 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)c1C 610054028 JAKUPLRMNKTDTE-HXUWFJFHSA-N 436.515 5.434 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H](CSc4ccccc4)C3)cn2)c1 610321134 IAKCBMYDNYMQAZ-IBGZPJMESA-N 430.533 5.392 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(OCc3ccccc3F)CC2)cc1 611261077 PPVNVRBYBMIFMV-UHFFFAOYSA-N 445.494 5.703 30 20 IKED COc1c(Br)cc(CNCc2ccc(C#N)c(Cl)c2)cc1Br 619748673 LGDKVBXLOKWYJE-UHFFFAOYSA-N 444.554 5.035 30 20 IKED O=C(c1ccccc1CCC(F)(F)F)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 622585316 WVBWXOFSMNPMRC-IBGZPJMESA-N 433.367 5.911 30 20 IKED C=CCn1c(SCCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)nc2ccccc21 644360679 XKOPPKQLXSGQNT-UHFFFAOYSA-N 431.565 5.146 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cc1csc(-c2ccc(Cl)cc2)n1 672239457 WDIZADUTDYAAJJ-UHFFFAOYSA-N 428.989 5.388 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c1C(F)F 676165655 SGUKWVZOVPPXQA-GXSJLCMTSA-N 441.322 5.164 30 20 IKED CC(=O)c1ccc(Oc2ccc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)cc2)cc1 679980767 VRAXNYCWALESKR-FQEVSTJZSA-N 430.460 5.920 30 20 IKED C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 682079920 FEENESWQBCGTCS-ZMLRMANQSA-N 437.302 5.062 30 20 IKED CC1(C)CN(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC[C@H]1C(F)(F)F 682849286 NKPHCZPHZFHOMI-CKYFFXLPSA-N 442.366 5.516 30 20 IKED CC(=NNc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccc(N2CCOCC2)cc1 725838897 KWUQKKMMUKOYRY-UHFFFAOYSA-N 447.539 5.170 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)c1 726503413 PTOKAWCRHLMPMP-UHFFFAOYSA-N 435.911 5.626 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 727225393 WYFAVHBMNLWECR-UHFFFAOYSA-N 432.568 5.405 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccccc3C(F)(F)F)n2)cc1 727232900 ALUWFBGTHMQJGV-GOEBONIOSA-N 430.451 5.781 30 20 IKED CCN(C(C)=O)c1nc(/C=C/C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cs1 727655341 VTHIMDUTBGEXLK-MDZDMXLPSA-N 431.970 5.497 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1Cl 727709197 WGMKZNRNRNPWJV-MRXNPFEDSA-N 427.794 5.434 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(F)c(Cl)nc2Cl)cc1 728822036 FGZFWRUMVXXOTI-UHFFFAOYSA-N 432.238 5.452 30 20 IKED CN(C(=O)Nc1cccc(OCC#N)c1)[C@@H]1CCSc2ccc(Br)cc21 729037227 QQAVETOCNIIHMT-QGZVFWFLSA-N 432.343 5.052 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)c2cccc(C(F)F)c2)n(C2CCCCC2)c1C 729748302 VGWYTHPAYDLSBA-UHFFFAOYSA-N 429.467 5.215 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)NCC(c2ccccc2)c2ccccc2)ccc1OC 733640081 JBVMHDAUPJLRFL-HSZRJFAPSA-N 443.547 5.007 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2sc(-c3ccc(Cl)s3)nc2C)c1 733771372 NVQNAIBVWAVVQH-AWEZNQCLSA-N 431.970 5.444 30 20 IKED C=CC[C@@H](NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C)c1ccncc1 734456731 BOSLBSRWFHTFKT-GOSISDBHSA-N 425.941 5.404 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 734643687 GRYWDLHUDWUAHR-NRFANRHFSA-N 443.894 5.367 30 20 IKED Cc1ccccc1-n1c(SCc2cc(Cl)ccc2OCC#N)nnc1-c1ccncc1 735231067 OQZPZMOGXZQBCD-UHFFFAOYSA-N 447.951 5.486 30 20 IKED CC(C)(C)c1ccc(N=C2NC(=O)[C@H](CC(=O)Nc3cccc4ccccc34)S2)cc1 736641719 OQHWDEFCBKBGCQ-NRFANRHFSA-N 431.561 5.385 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1nc2ccccc2n1C(F)F 741429707 GBZSNRSAOVBPOK-HZSPNIEDSA-N 435.352 5.310 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1cnn(-c2ccccc2)c1)[n+]1ccc(C(CC)CC)cc1 743052096 DQVQPMCVKFHKQU-UHFFFAOYSA-O 447.628 5.440 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 743151917 IBYNEXBNIIWAQG-KBPBESRZSA-N 441.944 5.524 30 20 IKED CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2ccc(C#N)o2)NC(=S)N1c1ccccc1 743738516 JSYIHPWQBMPOKA-QHCPKHFHSA-N 442.544 5.117 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)CCCc3ccc4c(c3)-c3ccccc3C4)o2)cc1 744893656 YLSKHLGOQRBNTR-UHFFFAOYSA-N 435.483 5.246 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cc3cc(C)c(C)cc3o2)cs1 749131570 DIFJBSHGRPOSMK-RMKNXTFCSA-N 434.492 6.226 30 20 IKED CCCOc1c(Cl)cc(C=NO[C@@H](C)C(=O)Nc2c(C)cccc2C)cc1OCC 749524777 ZLDCBYWFWPTMLC-KRWDZBQOSA-N 432.948 5.522 30 20 IKED CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 750836476 ZZUGEYYFPRNXJC-BCHFMIIMSA-N 438.527 5.130 30 20 IKED O=C(/C=C\c1ccc(-c2ccncc2)cc1F)c1ccc(S(=O)(=O)C2CCCC2)cc1 751533199 BMTMEQBOMTVEPH-XFXZXTDPSA-N 435.520 5.500 30 20 IKED COC(=O)[C@H](OC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1cccc(C#N)c1 751656366 OTUNEMCUAIRDOP-QGZVFWFLSA-N 447.299 5.060 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2cc3ccc(C)cc3o2)cs1)c1ccc(F)cc1F 754830414 QVJRSTUSSXOQMT-SOFGYWHQSA-N 438.455 6.057 30 20 IKED C[C@H]1c2cc(Cl)cc(Cl)c2CCN1CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N 756043088 YCMJSQPWKAKMFQ-SCLBCKFNSA-N 437.330 5.150 30 20 IKED CC[C@H](C#N)Oc1cccc(CNCc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)c1 759820577 DTEFFFJPWWFJEG-JOCHJYFZSA-N 432.568 5.284 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)N[C@H](c3ccc(Cl)cc3)c3ccsc3)CCO2)c1 761667228 VQFPZGQQXSWDOQ-FGZHOGPDSA-N 437.952 5.146 30 20 IKED COc1ccccc1-c1ccc([C@H](C)NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc1 761721868 QYMXDZCYEJTPPC-SIBVEZHUSA-N 441.531 5.078 30 20 IKED C=CCn1c(-c2cccs2)nn(CN(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1=S 764946306 RFHXMCYQXYIVBO-TZIWHRDSSA-N 440.638 5.386 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)C[C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 765405813 PNEIONMAMXHTSW-IBGZPJMESA-N 443.588 5.005 30 20 IKED N#C[C@H](COC(=O)c1ncsc1-c1ccccc1)Cc1cccc(Br)c1 774391889 UKHFXQXVHFERBU-OAHLLOKOSA-N 427.323 5.112 30 20 IKED O=C1/C(=C/c2cccc(Br)n2)CCC/C1=C\c1cccc(Br)n1 777911473 LSFXTQKCYMQYAK-DCIPZJNNSA-N 434.131 5.222 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H](c2ccc(F)cc2)c2ccccc2Cl)ccc1OC 779103568 ZSJSESPKMJRKCM-NBGIEHNGSA-N 438.930 6.048 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 779495812 LNMFTIPSZGVJBR-VXKWHMMOSA-N 434.540 5.015 30 20 IKED COc1cccc(COc2cccc(NC(=O)Nc3ccccc3O[C@H](C)C#N)c2C)c1 780611642 UUALPVNNVPUDBC-QGZVFWFLSA-N 431.492 5.518 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2cccnc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 783357616 JILSQKKTQPSPFC-CQSZACIVSA-N 444.463 5.253 30 20 IKED CC(=O)C1=C(c2ccc(C)cc2)N(Cc2cccs2)C(=O)N[C@@H]1c1scnc1C1CC1 783880242 XRFAMXHLYFXZNM-NRFANRHFSA-N 449.601 5.657 30 20 IKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N 784396970 DKZGNYBHCRUTBY-RTBURBONSA-N 443.503 5.003 30 20 IKED CCCc1c(NC(=O)c2ccc(C3SCCCS3)cc2)cnn1-c1cccc(C#N)c1 784712383 FWFLLIKYYFLGMS-UHFFFAOYSA-N 448.617 5.817 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)OCc3ccc(C#N)cc3)cs2)cc1 784866951 IKNPMHJJXMXLJL-UHFFFAOYSA-N 449.532 5.310 30 20 IKED Cc1cc(Br)cc([C@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1O 786962410 WRUZFNTUSQUAQB-HNNXBMFYSA-N 442.357 5.219 30 20 IKED N#CC[C@H](CC(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1ccccc1 796581951 KZWOEXKETDVPSB-QGZVFWFLSA-N 443.890 5.167 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(NC(=O)OC(C)(C)C)cn3)n2)cc1 796636120 WMZFSXWIUJQDQW-LJQANCHMSA-N 448.548 5.280 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C)OC(=O)c1ccccc1-c1ccccc1C#N 863940055 XFVPGZIDGJTYAY-SFHVURJKSA-N 426.516 5.534 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 916465537 SWCHTDKZHBPIDW-UHFFFAOYSA-N 437.524 5.172 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)Sc1cc(Cl)ccc1Cl 916905362 NZWHRGLAXBDCQC-GUYCJALGSA-N 449.403 5.946 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(-c2ccccc2)cc1 916905367 OAJUEXFCXBTVCH-XMMPIXPASA-N 432.479 6.107 30 20 IKED N#C[C@H](C(=O)Cc1coc2ccc3ccccc3c12)C(=O)Nc1cc(Cl)cc(Cl)c1 916944757 MCLHMEBPKSCRRE-LJQANCHMSA-N 437.282 5.783 30 20 IKED CSc1cccc(N2C[C@@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)CC2=O)c1 916974178 FWIXSRMRLYDOHR-FXAWDEMLSA-N 447.585 5.070 30 20 IKED COc1ccc(S[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916976567 SNUQJWPIOUKVCI-FZKQIMNGSA-N 428.966 5.829 30 20 IKED C=CCn1c(COc2ccccc2F)nn(CN2CCC[C@H]2c2ccsc2)c1=S 917455546 VPYPQHKOMVUFRG-SFHVURJKSA-N 430.574 5.174 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)cs1 917561344 BTXKPRSVDSIQGY-YFHOEESVSA-N 427.869 5.285 30 20 IKED Cc1ccc(-c2noc(CCC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)n2)cc1F 918154771 BTEBQLNRZWWVSF-QFIPXVFZSA-N 440.478 5.411 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(OCC(F)(F)F)cc2)cc(Br)c1O 920480572 ILBTWWVQXDIOHF-UQCOIBPSSA-N 431.204 5.001 30 20 IKED Brc1ccc(C=NOCc2coc(-c3ccc(Br)cc3)n2)cc1 920486347 ZFQPUGKBAVOFHD-UHFFFAOYSA-N 436.103 5.417 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=S)Nc2ccc(Cl)c(Cl)c2)cc1 920993797 HBVHTYIFQIEIIY-UHFFFAOYSA-N 444.362 6.403 30 20 IKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3oc4ccccc4c3C)CCC2)cc1 1789491650 KMPQXNQTCMGLFG-JOCHJYFZSA-N 446.547 5.062 30 20 IKED CC(C)c1csc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)CCC2)n1 1790285671 OIBSFBSCRSXZKH-UHFFFAOYSA-N 444.560 5.200 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc(C4(C(F)(F)F)N=N4)cc3)cc2)CCC1 1790760275 BCKQSTAARZRIKL-UHFFFAOYSA-N 442.441 5.191 30 20 IKED C=CCC(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(CCCCC)cc2)[C@H]1c1cccnc1 1813052468 LPMUPMPOMCBTTP-BYJLBXDESA-N 445.607 5.110 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCC2CCC2)CC1 1824351963 KDQKTTWHCHHGOE-XMMPIXPASA-N 444.736 5.238 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)c1ccc(-c3ccc(Cl)cc3)o1)C2 1841319030 YZCWPHNETHJGAV-UHFFFAOYSA-N 438.955 5.185 30 20 IKED CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(C#N)c2)NC(=S)N1c1cccc(C)c1 10355267 NANNBSIBEOMRSH-DEOSSOPVSA-N 438.556 5.215 30 20 IKED CCCCSc1nnc(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)s1 11160889 YDEJPAVMLICYPS-UHFFFAOYSA-N 438.669 5.363 30 20 IKED Cc1c(C#N)c(NC(=O)CN2CCC(C(=O)c3ccccc3)CC2)n(C2CCCCC2)c1C 14729294 AACJHCVVUYZWTH-UHFFFAOYSA-N 446.595 5.015 30 20 IKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)OCC(=O)Nc3sccc3C#N)o2)cc1 18754055 QFTGXJPPDLUSST-UHFFFAOYSA-N 443.484 5.046 30 20 IKED COc1ccc(-c2nc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)cs2)cc1OC 18946953 FWPZAOHVXYRYCI-UHFFFAOYSA-N 448.529 5.075 30 20 IKED O=C(/C(=C(\S)Nc1ccc(Cl)cc1)[n+]1ccccc1)c1ccc(Cl)c(Cl)c1 20834486 AEYHHJBAUPEGPT-UHFFFAOYSA-O 436.771 5.985 30 20 IKED N#Cc1ccc(-n2c(SCc3cc(-c4cccs4)on3)nc3ccccc3c2=O)cc1 105335205 VUTLCFZTDONMMP-UHFFFAOYSA-N 442.525 5.266 30 20 IKED Cn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nc2cc(Cl)ccc21 107841723 GQQNLWHMUPJBGP-HNNXBMFYSA-N 438.965 5.319 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cc(Br)ccc2F)c1 303449434 DPDSBTBJUJBVAR-UHFFFAOYSA-N 425.257 5.291 30 20 IKED CCOc1cc(/C=C/C(=O)c2c(Cl)nc3sccn23)cc(Br)c1OC 303848965 DDQNVLXDSWQODF-SNAWJCMRSA-N 441.734 5.115 30 20 IKED CC1(C)CC(=O)c2sc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)nc2C1 409578490 XNADNGLPMORTMP-UHFFFAOYSA-N 431.517 5.001 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(CCc3ccccn3)Cc3cccnc3)cc2)cc1 431973574 QJWSNIJGLCAAIS-UHFFFAOYSA-N 449.514 5.417 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1csc(CCc2ccccc2)n1 435134083 FVODGXLHRXGMHE-QGZVFWFLSA-N 436.606 5.644 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 436350568 VZHVBAPRDOYCBW-DYESRHJHSA-N 425.319 5.091 30 20 IKED COC(=O)C(C)(C)c1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 437824350 UJHUPLGYBIUSDT-UHFFFAOYSA-N 443.503 5.754 30 20 IKED COc1cccc(/C=C(\CC(=O)NCC2CCC(C#N)CC2)c2nc3ccccc3s2)c1 441144845 HJEPRHSPRPFXSR-FYJGNVAPSA-N 445.588 5.682 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1cccc(N2CCCC2)c1)c1ccc(C(F)(F)F)cc1 442063834 WRXLUDKPAABCEZ-NRFANRHFSA-N 445.485 5.068 30 20 IKED CC(C)n1cc(Br)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 442680149 GPZORACFIGDGAD-HNNXBMFYSA-N 448.773 6.098 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)N[C@H](C)c3ccc(C#N)cc3)C2)n1 446112573 QABNIMCBUMMBNH-YLJYHZDGSA-N 446.576 5.341 30 20 IKED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@H]1c1ccc(Br)cc1 460930057 DPCSIGIRFPFYPW-ZYSHUDEJSA-N 431.378 5.056 30 20 IKED CCN(C(=O)CCc1nc2cc(Br)ccc2s1)[C@H](C)c1ccc(C#N)cc1 463175510 ZCLJMUHMIUXHBY-CQSZACIVSA-N 442.382 5.473 30 20 IKED Cc1nn(C)c(Sc2ccccc2)c1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 463590084 CMSJQJXYKWZEQV-UHFFFAOYSA-N 438.556 5.348 30 20 IKED N#CCCCOc1cccnc1NCc1csc(-c2cccc(Br)c2)n1 466628884 VWVOEJUMNHBPJW-UHFFFAOYSA-N 429.343 5.262 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3C[C@H]3c3ccc(C(F)(F)F)cc3)ccc21 469953424 NNQWFVSCKHVGMM-PMACEKPBSA-N 441.453 5.031 30 20 IKED CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470562204 ZUMKSVOAQWNBTD-UHFFFAOYSA-N 430.961 5.038 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(F)cc3-c3nc(C4CC4)no3)c2)cc1 471655183 GQBWCRYFESHMBX-UHFFFAOYSA-N 440.434 5.669 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)C2)n1 471808444 GOCSKASXJMDBGF-RXVVDRJESA-N 443.378 5.149 30 20 IKED COc1cc([C@H](C)NC(=O)C[C@@H](CC#N)c2ccccc2)ccc1OCc1ccccc1 474953028 LGNQRNFVPPVTEI-GBXCKJPGSA-N 428.532 5.539 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCC(=O)Nc1cccc(Br)c1 475547595 JTQCMGCCQOPYEN-UHFFFAOYSA-N 430.346 5.061 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1ccc(C(C)(C)C#N)cc1 476693638 RXRTUTSJSXUZDA-UHFFFAOYSA-N 431.923 5.954 30 20 IKED CCCN(CC(F)F)C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 477116609 DCKLUGGDCDYXCH-GWJIENBWSA-N 435.399 5.612 30 20 IKED CCN(Cc1cccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1)C(C)=O 479540293 KYFOKYROCZCDTN-UHFFFAOYSA-N 429.545 5.330 30 20 IKED C[C@H](O)[C@](C)(CNC(=O)c1ccccc1Sc1ccccc1C#N)Cc1ccccc1 482192781 MHKUPKBKTBWJGS-SIBVEZHUSA-N 430.573 5.069 30 20 IKED CCCN(C(=O)NC1CCC(Oc2ccccc2C#N)CC1)[C@H]1CCCc2cccnc21 483023456 YJONVGBSXYSCTO-VNXZQDSDSA-N 432.568 5.142 30 20 IKED N#Cc1ccc(SCC(=O)Nc2cc3c(cc2Sc2ccccc2)OCCO3)cc1 483581738 FRGKEURBWAGREQ-UHFFFAOYSA-N 434.542 5.211 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccccc1C 488915238 KBOVLDARLNSSMP-QGZVFWFLSA-N 441.000 5.829 30 20 IKED C=C(C)Cn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccncc1 489422383 HECGUFAKQBTQCH-CYBMUJFWSA-N 448.379 5.342 30 20 IKED C=CCn1c(SCC(=O)N(CC)[C@H](C)c2ccc(F)cc2)nnc1-c1cccs1 489434189 ICHFRCROTXWGBG-OAHLLOKOSA-N 430.574 5.034 30 20 IKED N#C[C@@H](C(=O)c1ccc(Br)c(C(F)(F)F)c1)c1nc2ccccc2s1 492259951 QVVCEQASOZGHGE-JTQLQIEISA-N 425.229 5.568 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 494078947 MMMYTCXZBIANAZ-FRGLQRNOSA-N 431.565 5.328 30 20 IKED COc1cccc(C[C@@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 497493795 VEJZTKNDOJMUNH-LJQANCHMSA-N 429.520 5.093 30 20 IKED N#Cc1cccc(C2(NC(=O)NCc3csc(-c4ccc(C(F)(F)F)cc4)n3)CC2)c1 498736419 LBZGIERSHNFIAT-UHFFFAOYSA-N 442.466 5.189 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@@H](C#N)c1ccccc1Cl 499923894 SIJLFFALRFIFHW-ACJLOTCBSA-N 446.359 5.651 30 20 IKED C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)o1 500643046 BCHPPSWJPRWGII-PFHNCQMRSA-N 426.516 5.467 30 20 IKED C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 501437960 RPWQJAJJVARDCK-KRWDZBQOSA-N 447.516 5.359 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 503456561 BPFPUTHQTYDLTI-UHFFFAOYSA-N 437.494 5.170 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 503774319 DYCSUSNTWZQQTM-FQEVSTJZSA-N 443.522 5.735 30 20 IKED O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cc(O)nc2ccc(F)cc12 505372560 LEPGXWQXEVCTHN-INIZCTEOSA-N 432.295 5.132 30 20 IKED Cc1cc(C)c(NC(=O)CN(C)Cc2cccc(OCc3cccc(C#N)c3)c2)c(C)c1 507439789 FWOLLYAHNDNDQM-UHFFFAOYSA-N 427.548 5.133 30 20 IKED CC(C)Sc1ccc([C@H](C)NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 508597776 DDASGZOAIHGMAI-FQEVSTJZSA-N 436.625 5.037 30 20 IKED COc1ccc(OCCN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 510023247 KTHVHHSDDGGECR-HSZRJFAPSA-N 449.938 5.547 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2coc(-c3cccs3)n2)cc1Cl 510024787 XLDMEZLXAVNQJE-IBGZPJMESA-N 448.935 6.034 30 20 IKED COc1ccc([C@@H](C)N(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 510025252 ASEACVBUPCZJAR-UZUQRXQVSA-N 433.939 6.229 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cccc(OCc3ccc(Cl)cc3)c2)n1 510766701 TYRVHUQQUGJACD-SFHVURJKSA-N 440.908 5.042 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCCn2ccc3ccccc32)cc1 511319557 LQCOOLFRHCXLTH-UHFFFAOYSA-N 438.531 5.498 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CC[C@@H](n3ncc4ccccc43)C2)cc1 512465362 GKXKMFTXLWPXBO-JOCHJYFZSA-N 438.556 5.287 30 20 IKED Cc1ccc(OCc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)o2)c(C)c1 512484489 PCAINUHADMGELA-FQEVSTJZSA-N 428.513 6.089 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(-c2cccc(Cl)c2)c1C 515172559 OHCYBNSMEKLZLP-UHFFFAOYSA-N 443.894 5.454 30 20 IKED N#CCCCOc1cccc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 515619726 KDZSNXHDBNHAFY-UHFFFAOYSA-N 446.347 5.424 30 20 IKED C=C(C)CN1CCC(NC(=O)N(Cc2ccc(-c3ccccc3C)s2)C(C)C)CC1 518513658 JRHZZTNXZKFJFI-UHFFFAOYSA-N 425.642 5.684 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)CCC(=O)c2ccc3ccccc3c2)CC1 520366453 PLYPQOBYCVBCHV-UHFFFAOYSA-N 426.516 5.181 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCc1nc2ccccc2n1-c1ccccc1 521330174 DVHCDKUNANBDMD-IBGZPJMESA-N 440.572 5.991 30 20 IKED C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 521733269 CKDLFBTXHXEIOK-LBPRGKRZSA-N 428.863 5.771 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCSC[C@H]3c3ccc(Cl)cc3)o2)cc1 522541223 ZEOCEXKRJMLZIZ-NRFANRHFSA-N 438.936 5.314 30 20 IKED CCNC(=O)c1ccc(C)c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 523879280 ANEWZLLSPIKZTA-UHFFFAOYSA-N 433.895 5.314 30 20 IKED CCc1c(C)sc(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)c1C#N 524105772 PXJOHCKUXGYXIZ-UHFFFAOYSA-N 435.496 5.814 30 20 IKED CCCc1c(NC(=O)Nc2cc(-c3nc(C)no3)ccc2C)cnn1-c1cccc(C#N)c1 526134538 BKYQCEZRTCNIJS-UHFFFAOYSA-N 441.495 5.007 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](Cc1ccccc1)c1ccccc1F 537157929 DTMDFGCNJDVMJN-NTKDMRAZSA-N 447.579 5.732 30 20 IKED C[C@H](NC(=O)N[C@@H](c1ccccc1)c1nccs1)c1ccc(-c2cccc(C#N)c2)cc1 542962724 RPXZAFQQLVTMOE-UUOWRZLLSA-N 438.556 5.832 30 20 IKED C=CCNC(=O)c1cccc(-c2noc(Cc3csc(-c4ccc(Cl)s4)n3)n2)c1 544402071 GDNNIWLLQMNACT-UHFFFAOYSA-N 442.953 5.082 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](C)[C@@H]2OCCc3sccc32)cc1 550008116 CVJBPPPJVGUTOR-CMJOXMDJSA-N 434.517 5.309 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3CCC([C@@H](F)c4ccccc4F)CC3)CC2)c(F)c1 552607168 PANNNNAWCGWSCK-XMMPIXPASA-N 441.497 5.002 30 20 IKED C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(OC(C)(C)C)CC1 555260569 IEUSVDRGCNTWKT-UHFFFAOYSA-N 433.394 5.068 30 20 IKED N#Cc1ccc(N2CCC(CC(F)(F)F)CC2)nc1N1CCC(CC(F)(F)F)CC1 557689099 VSLNQEXPQSRUER-UHFFFAOYSA-N 434.428 5.291 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCCc2c(OC(F)F)cccc21 567762261 DRFYVBNYHCZIAS-OAHLLOKOSA-N 431.508 5.074 30 20 IKED N#Cc1ccc(NC(=O)C(=O)Nc2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc1F 574850237 QQXGHYAOFGJGSC-UHFFFAOYSA-N 443.356 5.086 30 20 IKED Cc1cccc(-c2nnc(SCCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)o2)c1 589934174 JKJVWZIOSAJOQO-AWEZNQCLSA-N 438.578 5.224 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)c1nc2ccccc2s1 592975376 CZKZXSAKUCLSLV-CQSZACIVSA-N 426.469 6.116 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)c2cccs2)cc1 603721978 YNHYIIDHYBQRRF-HXUWFJFHSA-N 437.952 5.047 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc2c(c1)CCC(=O)N2 603911986 FQVIETDZIJQHEZ-QGZVFWFLSA-N 441.556 5.226 30 20 IKED C[C@H]1Sc2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)cc2NC1=O 604026882 KPMBSDQGGCIREE-CYBMUJFWSA-N 449.919 5.689 30 20 IKED N#CCc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc3ccccc3c2)cc1 604565517 WBMHDNOOIUXDQY-HRNNMHKYSA-N 437.543 5.318 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)c2sccc2C)c1 606140074 LVXJIHQJMCNFLL-JOCHJYFZSA-N 434.561 5.050 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc(-c2ccccc2OC(F)F)cs1 609021839 SHTKYJXQNGOAJX-LJQANCHMSA-N 443.475 5.325 30 20 IKED C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(NC(=O)C2CC2)cc1 609208809 GZJKIKUSBICFGR-KRWDZBQOSA-N 440.503 5.582 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(N3CCOCC3)c(F)c2)cc1Cl 609297892 ROMKAEDKSFSDLN-NRFANRHFSA-N 449.913 5.223 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3CCN(c4ccc(F)cc4F)C3)c2)cc1 609322355 BAEUAGWBMNPHOI-LJQANCHMSA-N 434.446 5.029 30 20 IKED COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1OC(F)F 609381753 WEOMSQQXPMGGLT-UHFFFAOYSA-N 446.397 5.573 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 609555685 BEKXTYYPKLRPNC-VEEZFSHISA-N 434.609 5.398 30 20 IKED Cc1cccc(NC2CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)c1 610167032 OTYMWDKZBNDRHR-UHFFFAOYSA-N 426.520 5.767 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1c1ccccc1Br 610674500 WLPHBLOWEYDCIW-KXBFYZLASA-N 444.398 6.212 30 20 IKED N#Cc1cc(Cl)c(C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c(Cl)c1 611901434 BQZMXZIRQYDNBC-MRXNPFEDSA-N 429.225 5.098 30 20 IKED FC(F)Oc1ccc2ccccc2c1CNC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642197935 GSJXVDZJFJOJPH-CHWSQXEVSA-N 441.362 6.440 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 642282350 HCNLZQLGQITECG-LLVKDONJSA-N 444.800 5.677 30 20 IKED COc1ccccc1/C(C)=C/C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 727626658 FDKDIJSYDIRETB-LAYTVVDLSA-N 426.472 5.238 30 20 IKED Cc1ccccc1-c1nc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cs1 727626742 FGGKXFCIOGLHAX-AWEZNQCLSA-N 430.316 5.387 30 20 IKED Cc1ccc(C(=O)N[C@@H](CC(=O)[C@H](C#N)c2nc3ccccc3s2)c2ccccc2)cc1 729889885 FKUCKXJPBMXTJX-UNMCSNQZSA-N 439.540 5.342 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C/c1ccc(OCc2occc2C(=O)O)cc1 730949362 UMBVRRIINJLDEQ-JLHYYAGUSA-N 442.471 5.255 30 20 IKED CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)c1C 731060169 DDYLZPNPPVJEMR-MRXNPFEDSA-N 447.560 5.153 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2cc(C)c(F)c(C)c2)cs1)c1ccc(F)cc1F 741467470 OKMFSJWXLWJURA-FNORWQNLSA-N 430.451 5.758 30 20 IKED COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 741821531 XGMZPUSURLCINV-QGZVFWFLSA-N 446.528 5.043 30 20 IKED O=C(/C=C/c1ccccc1OCc1ccccc1)c1ccc(S(=O)(=O)CC(F)F)cc1 741852645 PXYRDWSJWFKLGL-NTCAYCPXSA-N 442.483 5.201 30 20 IKED C=CCOc1c(Br)cc(/C=C\C(=O)c2ccc3c(c2)COC3)cc1OCC 742436069 FTUXHMUAMDHXPC-YVMONPNESA-N 429.310 5.339 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nc(-c2cccc(F)c2)no1 743097942 YXRGGGSLQXPPPX-AOMKIAJQSA-N 441.466 5.414 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)Nc2ccc(CN3CCOC3=O)cc2)cc1F 743237571 CCAHPKSEBXMASO-UHFFFAOYSA-N 446.438 5.086 30 20 IKED N#CCSc1ccccc1NC(=O)COC(=O)C1(Cc2cccc(Cl)c2)CCCC1 745162268 FYDPTPHKMCWYSD-UHFFFAOYSA-N 442.968 5.240 30 20 IKED CC(=O)CCc1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 745313729 VOTHUBHPZZKNEX-GCJKJVERSA-N 432.545 5.284 30 20 IKED Cc1ccc(-c2ocnc2C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 745357197 PRHYBWRNOJTMCD-HNNXBMFYSA-N 449.532 5.036 30 20 IKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Oc4ccccc4)c3)NC2=O)cc1 746806419 AMHIBEPVBVCSFK-OAQYLSRUSA-N 431.517 5.035 30 20 IKED COc1ccc(/C=C2/SC(=S)N(c3c(C)cccc3C)C2=O)cc1OCCCC#N 747472954 LFYIVQHZRMFMLJ-XSFVSMFZSA-N 438.574 5.400 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2ccccc2Cl)n1)c1nc2cc(C(F)(F)F)ccc2s1 748010411 PLHDXNZNLJNYHH-LBPRGKRZSA-N 446.841 5.644 30 20 IKED N#C[C@H](C(=O)CCCCc1ccc(Cl)c(Cl)c1)c1nc(-c2ccncc2)cs1 753539666 PIDIKMVHORQLEO-MRXNPFEDSA-N 430.360 6.101 30 20 IKED CC(C)(C)OC(=O)N1CCc2c(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cccc21 753899727 RQTLQJUIYHAIIZ-OFNKIYASSA-N 446.551 5.288 30 20 IKED COc1cccc([C@H](C#N)NC(=O)c2cc(Cl)ccc2Sc2ccccc2)c1OC 759180481 UEGOGRKLZJPBCE-IBGZPJMESA-N 438.936 5.503 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C 762957189 VSPXZULYZRKENJ-PXNSSMCTSA-N 439.581 5.013 30 20 IKED N#Cc1cc(NC(=O)CCSc2ccnc3cc(Cl)ccc23)c(Cl)c([N+](=O)[O-])c1 764302848 KJJURYMJUFUCQP-UHFFFAOYSA-N 447.303 5.442 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3cccc4ccccc34)n2)cc1 774065809 TYUPFNGFWSHBKH-HRAATJIYSA-N 428.513 5.616 30 20 IKED CC[C@H](N[C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1OC(F)F 775049526 KYHWMPJZSDNGCD-WPRPVWTQSA-N 438.343 5.051 30 20 IKED CC(C)(C)OC(=O)N1CCc2cc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)ccc21 776883063 UDLLCLCDWUENHT-SFHVURJKSA-N 446.334 5.286 30 20 IKED C=CCC[C@H](C(=O)OCc1nnc(-c2c(-c3ccccc3)noc2C)o1)c1ccccc1 778550111 BFPJNALVMXBXIE-FQEVSTJZSA-N 429.476 5.493 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4ccc(C)cc4)CCOCC3)n2)cc1 779195657 YVAGBTRALGKVIN-OAQYLSRUSA-N 432.545 5.052 30 20 IKED CC(C)c1nn(-c2ccc(Br)cc2)cc1CNc1cccc(OCC#N)c1 779589059 WJLZBNVQLFELDC-UHFFFAOYSA-N 425.330 5.273 30 20 IKED CC(C)c1cccc(C(C)C)c1NC(=S)NC1CCC(Oc2ncccc2C#N)CC1 782212339 OBNNSGCLDHETDQ-UHFFFAOYSA-N 436.625 5.877 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@@H]3c3ccc(F)c(F)c3)n2)c(Cl)c1 782662243 GANASNUECSJVRS-GOSISDBHSA-N 427.842 5.045 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(CC(F)(F)F)cc2)cc1 784836044 MRCBGIPYRMHLRT-OAQYLSRUSA-N 437.421 5.024 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(CNC(=O)OC(C)(C)C)c1 786922487 IGSBQXPZFQWPFM-INIZCTEOSA-N 425.554 5.215 30 20 IKED COc1ccc2c(c1)CN(C(=O)Nc1ccc(F)cc1OCC#N)[C@@H](C1CCCCC1)C2 787418634 ZARVWMLHQGRNKR-HSZRJFAPSA-N 437.515 5.276 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl 789718120 FIMIRMRAHVGDBJ-UHFFFAOYSA-N 449.016 5.473 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CC[C@H](Sc3cccc(Cl)c3)C2)c1=S 793787643 DPSSBZOTXBPXPM-IBGZPJMESA-N 444.029 5.140 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(N4CCCCCC4)cc3)CC2)c(F)c1 806502080 CRMQWNPUKFUQQS-UHFFFAOYSA-N 436.531 5.153 30 20 IKED N#Cc1cc(Oc2ccc(NCc3c(Br)cccc3[N+](=O)[O-])cc2)ccn1 810166547 KSYVFUBMIPPYIN-UHFFFAOYSA-N 425.242 5.028 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Br)c(F)c3)n2)cc1 810549575 NNXUBTSORWWYNL-OAHLLOKOSA-N 445.313 5.139 30 20 IKED N#C[C@H](C(=O)C1CCC(OC[C@H]2CCCO2)CC1)c1nc(-c2c(F)cccc2F)cs1 815925596 JYZRRYACUGFLIJ-BHUNQDJPSA-N 446.519 5.019 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1OC 915055792 SYDZGWIXQDKEJA-XYOKQWHBSA-N 441.487 5.279 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(C2SCCS2)cc1 916901546 KKSJLSJXAZNXRO-OAHLLOKOSA-N 446.981 5.097 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(Br)c1 916911851 YBMFTFRZMHDSKD-GOSISDBHSA-N 435.277 5.203 30 20 IKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OC1CCCC1 916946325 QMPNDISSNYJFGQ-SFHVURJKSA-N 447.318 5.285 30 20 IKED N#C[C@H](C(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1nc2ccccc2n1C(F)F 917040277 JQITVBSNCJGCAY-OWCLPIDISA-N 448.498 5.967 30 20 IKED N#C[C@@H](C(=O)Cc1ccc(F)c(Br)c1)c1nc(-c2ccc(Cl)cc2)cs1 917428709 WVFWWAGYRLWFCK-AWEZNQCLSA-N 449.732 5.784 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(C=NNc2cc(C)c3ccc(C)c(C)c3n2)cs1 917542834 UGNWQACZVIFEKB-UHFFFAOYSA-N 447.539 5.886 30 20 IKED CCN(CC)c1ccc2cc(C(=O)/C=C/c3cc(Cl)c(OC)c(OC)c3)c(=O)oc2c1 917615233 NQSGFZIGOUWBRY-JXMROGBWSA-N 441.911 5.206 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(OC)c(NC(=O)OC(C)(C)C)c1 918031474 DQHMHIHISZSELP-UHFFFAOYSA-N 429.492 5.401 30 20 IKED CC(C)CN(CCC#N)Cn1nc(Nc2ccc(OC(F)(F)F)cc2)sc1=S 919944228 AEWJFGOHIXMTSN-UHFFFAOYSA-N 431.509 5.145 30 20 IKED COc1cc(/C=C/C(=O)c2c(C)[nH]c3ccccc23)c([N+](=O)[O-])cc1OCC(F)(F)F 921265687 PLGVYLKAKNKXTM-BQYQJAHWSA-N 434.370 5.230 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc4nc(C)ccc4o3)CCC2)cc1 1789626029 HJPDTVVHSJPKSF-UHFFFAOYSA-N 445.563 5.876 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)Cc4cc5cccnc5cc4F)cc3)CCC2)C1 1790474812 CGHZDQKUMPMNTC-UHFFFAOYSA-N 443.522 5.017 30 20 IKED CC(C)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@@H](C)C#N)c2)C3)cc1 1799713572 DPFNBRYZVSIITH-TZAMREQXSA-N 429.564 5.003 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)CC(=C)C)[C@H]1c1cccnc1 1810497921 KBBGDONXNMUFOR-YADHBBJMSA-N 425.617 5.072 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](c3ccccc3)[C@H](C)CC)n[nH]2)C1 1816846989 FNWULJHCXLPSRW-IHLLOCCUSA-N 434.584 5.198 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(C)ccc3[nH]2)[nH]n1 1819305472 KEBYCOFBZATOCP-XXBNENTESA-N 445.567 5.274 30 20 IKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCC3CCC3)CC2)c1Cl 1824354362 QXKWIYWNTFOXQK-JOCHJYFZSA-N 442.003 5.025 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCCCC2(F)F)CC1 1824645206 BDBGHEMNQUOPNQ-LEWJYISDSA-N 438.603 5.424 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CCC)cc2)CC1 1831446638 NKHIRHUCUVUJOZ-QFIPXVFZSA-N 432.555 5.084 30 20 IKED CCC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)CCC1 1832632693 UPIZNRRJSGNIJG-HYBUGGRVSA-N 435.612 5.127 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2cccc(O)c2)cc1 11127809 JFYKQMJQNCLDMM-UHFFFAOYSA-O 427.549 5.446 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccccc1 16823200 GQGJZSFWEVKPMV-AWEZNQCLSA-N 432.471 5.269 30 20 IKED COc1ccccc1N/C(S)=C(/C(=O)c1ccc(C)s1)[n+]1ccc2c(c1)CCCC2 22686137 HQYCSLNJRNZNPX-UHFFFAOYSA-O 437.610 5.282 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2cccc(C)c2)cc1 22729161 XPOCZCPSXDKBAC-UHFFFAOYSA-O 437.654 6.607 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)NCc2ccccc2)[n+]2ccc(C(C)(C)C)cc2)c1 22730745 WDCVKMVEQLHBMS-UHFFFAOYSA-O 431.625 5.617 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)nc2sccc2c1=O 36821473 YHERFOZSOFOHAJ-HNNXBMFYSA-N 427.595 5.195 30 20 IKED Cc1ccc(-c2nnc(SCC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)o2)cc1 71854261 UYLSUQJKISUADR-QGZVFWFLSA-N 432.530 5.137 30 20 IKED COc1cc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(OC)c1 302753052 HWQIQWWHNDSYSI-IBGZPJMESA-N 426.925 5.290 30 20 IKED Cc1ccc(OC2CCN(CC(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)cc1C 303377075 LQEVSSJRBHLJNC-HXUWFJFHSA-N 437.609 5.180 30 20 IKED CCc1c(C)sc2nc(S[C@@H](C)c3ccc(C#N)cc3)n(C[C@@H]3CCCO3)c(=O)c12 303680201 IVAYVFLUFUVQGX-KSSFIOAISA-N 439.606 5.233 30 20 IKED O=C([C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 303930184 VKGVMBYZQBVMAM-MNOVXSKESA-N 435.286 5.032 30 20 IKED C[C@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@H](c2ccccc2)O1 409789700 HALDCYUZUYOFBV-RXFWQSSRSA-N 441.531 5.326 30 20 IKED Cc1ccccc1[C@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C(C)(C)C 430577043 BRPUVFYZHNENHV-QFIPXVFZSA-N 446.551 5.235 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)C2CC2)cc1 433794332 SOBNMCMFUUNEOW-UHFFFAOYSA-N 442.466 5.897 30 20 IKED C[C@H](NC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 435796723 BHZFMBLSRDZIOH-SJCJKPOMSA-N 429.364 5.631 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O 436404972 ABXNGQXXBWSIHE-GCJKJVERSA-N 428.598 5.143 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H](CSc2ccccc2)C1 437822329 OJENYRLTIRJGRU-OAQYLSRUSA-N 443.572 6.305 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 438623612 DFNUNIYQHAXORA-ICSRJNTNSA-N 445.485 5.822 30 20 IKED COCCN(C(=O)N[C@H](CCC#N)c1ccccc1)[C@H](C)c1cccc(C(F)(F)F)c1 438840609 NLNLDEVMVPMVIQ-DYESRHJHSA-N 433.474 5.469 30 20 IKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)C(=O)N[C@@H](CCC#N)c1ccccc1 439429466 FSBWZNPIXVAZPZ-CPJSRVTESA-N 441.531 5.235 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2cccc(CSc3c(Cl)cccc3Cl)c2)n1 442602372 SCUIHOMHPLXZPZ-OAHLLOKOSA-N 433.385 6.541 30 20 IKED Cc1ccc(CCN(CC(F)(F)F)C(=O)c2cn(CCCC#N)c3ccccc23)cc1 444252515 VZADVWWDQBMBJL-UHFFFAOYSA-N 427.470 5.501 30 20 IKED C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 460800507 DFZLRCQMMYGVMC-RBUKOAKNSA-N 432.490 5.089 30 20 IKED C=CCN(C(=O)[C@@H]1OC[C@H]2COCC[C@@H]21)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 463099261 PVQWNYKGTSOHAA-AOHZBQACSA-N 446.572 5.048 30 20 IKED C[C@@H](CC(=O)c1ccccc1F)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 463118824 FBBPBOMPLXQENK-SFHVURJKSA-N 430.479 5.318 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC3(c4cccc(F)c4)CCOCC3)cc2)cc1 464555695 OSUDXEUUUFZEDT-UHFFFAOYSA-N 430.479 5.120 30 20 IKED C[C@@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)Oc1cccc(F)c1 466144757 KZARBXCVUNLORH-SFHVURJKSA-N 433.483 5.060 30 20 IKED N#C[C@H]1N(C(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)CCC[C@@]12CCCCO2 468637391 FTEHADURQBTXQG-KNQAVFIVSA-N 446.334 5.248 30 20 IKED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(-c2ccccc2F)s1 469030854 NBECLAHYDFANQH-QGZVFWFLSA-N 433.552 6.310 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C)n(-c2c(F)cccc2F)n1 469146493 XAWUADUQNQCMTR-UHFFFAOYSA-N 445.429 5.079 30 20 IKED N#Cc1ccc(-c2nnc(CN[C@@H](c3ccccc3)c3ccc(Br)cc3)o2)cc1 471618291 LIDPHEFTFSWAJS-QFIPXVFZSA-N 445.320 5.250 30 20 IKED CC(=O)Nc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc(C(F)(F)F)c1 472395260 FQDBMUMNEZZHSJ-KRWDZBQOSA-N 429.423 5.277 30 20 IKED Cc1cc(-c2noc([C@@H](C)NC(=O)c3ccccc3-c3ccccc3C#N)n2)ccc1F 472395653 GWPYMUNOCIPRCP-MRXNPFEDSA-N 426.451 5.214 30 20 IKED C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccc(-c2cccnc2)cc1 475021961 DOKNVMDGPJZWSE-QGZVFWFLSA-N 439.544 5.550 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1 475549360 LVIABGOYKSJAFM-GOSISDBHSA-N 434.502 5.530 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 475552454 YUKSXOWIBSVDJE-NRFANRHFSA-N 430.495 5.745 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 478784328 AWEIDVDTFFDCBZ-MRXNPFEDSA-N 445.510 6.278 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Br)c(Cl)c1Cl 480206976 QKVCTTOVIADHSI-UHFFFAOYSA-N 448.144 5.451 30 20 IKED Cn1ccnc1C[C@@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 483049702 JIYFSKUKGOPVOE-PGRDOPGGSA-N 447.970 5.216 30 20 IKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[C@@H](C#N)c3cnc4ccccc4n3)cc12 483208206 HKYDVVUJPXPKBH-HNNXBMFYSA-N 443.919 5.482 30 20 IKED O=[S@](Cc1cc(F)c(C(F)(F)F)cc1F)Cc1c(F)ccc(Br)c1F 488865690 KJMTZWMYPQIXGS-RUZDIDTESA-N 449.185 5.473 30 20 IKED C=CCn1c(SCc2ccc(OCc3ccccn3)cc2)nnc1-c1cccc(OC)c1 488903435 SYYALMZGZQIOLQ-UHFFFAOYSA-N 444.560 5.406 30 20 IKED C=C(C)COc1cc(/C=C2\CN(CC)Cc3c2nc2ccccc2c3C(=O)O)ccc1OC 489108844 WPLOVPADMTWOJB-XDHOZWIPSA-N 444.531 5.273 30 20 IKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc(F)cc3-c3ccc(F)cc3)CC2)cc1 491359591 UGYNGJFFCRCJRP-UHFFFAOYSA-N 446.501 5.243 30 20 IKED C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)[C@@H]1OCCc2sccc21 494997396 PEWQMCMZUUKIIL-OSPHWJPCSA-N 449.551 5.173 30 20 IKED COc1ccccc1N1CCC(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 495060580 AUJDXKHXKOJEID-UHFFFAOYSA-N 442.519 5.150 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 501420753 IBYFCDIBKBTYEJ-RUZDIDTESA-N 434.923 5.285 30 20 IKED COc1ccc(Oc2cc(CNC(=O)c3ccccc3-c3ccccc3C#N)ccn2)cc1 501946200 HBQMDWPEQTUCOG-UHFFFAOYSA-N 435.483 5.351 30 20 IKED COc1ccc(CC[C@@H]2CCCCN2C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1OC 503284838 RLBLSHLPPJJZTI-QFIPXVFZSA-N 435.568 5.524 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1 505624171 YKTXSWGXYUVWGQ-UHFFFAOYSA-N 425.444 5.575 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1 505976372 LFTYWZNVZJMHTN-LJQANCHMSA-N 426.259 5.032 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)cc1 508161172 KOALFWAJNPHZDJ-UHFFFAOYSA-N 448.954 5.209 30 20 IKED CCOc1cccc2cc([C@H](C)NC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)oc12 508193246 UKOIWLHETALYAM-KRWDZBQOSA-N 433.508 5.017 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1 509956455 ZXIUTNRQGUVXAO-UHFFFAOYSA-N 445.910 5.044 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1 510656753 HBVGWUGZENYTQM-UHFFFAOYSA-N 426.451 5.561 30 20 IKED CC[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(Cl)cc1 511399980 SXWIHQIFGMZHDU-HSZRJFAPSA-N 433.939 6.258 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)CSCc2ccc(C#N)cc2)cc1 511593272 LEOCOJDISKDVDF-UHFFFAOYSA-N 449.963 5.360 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2ccccc2Br)cc1 511792702 OOQVBGCEBXYXMI-UHFFFAOYSA-N 435.321 5.275 30 20 IKED C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 511925183 DEBNGXZKBKAOKZ-TUJYPLEISA-N 440.975 5.130 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)c1-c1ccccc1 512914737 HNMRHDMDQIXRNY-UHFFFAOYSA-N 433.924 5.493 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(-n3cccn3)c2)cc1 513991249 DVOZKGAJVDXJHE-UHFFFAOYSA-N 425.467 5.117 30 20 IKED CSc1ccc([C@@H](CNC(=O)c2cccc(CC#N)c2)N2CCc3sccc3C2)cc1 514573913 GKHJOAYZKHLALH-HSZRJFAPSA-N 447.629 5.065 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1cccc(OCCCC#N)c1 515443299 XGEMPNZXTFXVNH-UHFFFAOYSA-N 425.485 5.105 30 20 IKED Cc1ccc(C)c2c(C)c(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)oc12 516267316 ZMKDHFVNCVXZSU-HNNXBMFYSA-N 431.517 5.437 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cc1 517339047 XNEDYWLSJJPZRK-UHFFFAOYSA-N 440.478 5.386 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(COc4ccccc4)cc3)n2)cc1 518516582 LKBOLRSMMKLYAH-QHCPKHFHSA-N 435.508 5.751 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 518682260 XYFNQTUTBGZAFM-YCRPNKLZSA-N 442.009 6.564 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCc1nc(-c2cc(Br)cs2)no1 520200568 CNOVSLZLIREABZ-NSHDSACASA-N 435.372 5.567 30 20 IKED CC(C)(C)n1cc(C(=O)[C@H](C#N)c2nc3ccccc3s2)c(-c2ccccc2Cl)n1 520840633 QVUWTUIIFHHGNJ-HNNXBMFYSA-N 434.952 6.058 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 521327071 PFANOJDPNGXNOB-CQSZACIVSA-N 448.013 5.287 30 20 IKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccccc1 521803903 FUCOBKUWKZLIPH-XMMPIXPASA-N 427.504 5.193 30 20 IKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 522588261 CNBVRASNLJBURF-UHFFFAOYSA-N 439.515 5.540 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCc3nc4ccccc4o3)cc2Cl)c1 524249804 FZYGPTRCEQPFHW-UHFFFAOYSA-N 431.879 5.503 30 20 IKED Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 524335537 XMKBTNDIZRZGCI-AREMUKBSSA-N 444.579 5.049 30 20 IKED CN(C)c1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c(C(F)(F)F)c1 524384171 QBLAFEJCKFNGOW-UHFFFAOYSA-N 429.398 5.067 30 20 IKED CC[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 524913091 BLDWWBVWFRKILQ-RDJZCZTQSA-N 425.916 5.027 30 20 IKED Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 538773770 DQMQZOMRLOEPMW-SFHVURJKSA-N 444.585 5.786 30 20 IKED CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N(Cc1ccc(C#N)cc1)C(C)C 539209284 ZFQQTNVSRVUNQF-KKSFZXQISA-N 444.373 5.017 30 20 IKED CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1ccccc1Oc1ccccc1C#N 540869310 LPROSRMTZREZOE-UHFFFAOYSA-N 440.547 5.124 30 20 IKED C[C@@H](NCc1cccc(C(=O)NCc2ccco2)c1)c1ccc(-c2cccc(C#N)c2)cc1 541085842 XDQWWJBFHVBFOB-HXUWFJFHSA-N 435.527 5.599 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N(C)CCc1ccccc1O 541501085 CEAOEQFUCLQTCO-UHFFFAOYSA-N 449.576 5.045 30 20 IKED CC(C)n1ccc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1 542122492 FBGABZZSVLCHBZ-CQSZACIVSA-N 433.318 5.895 30 20 IKED FC(F)(F)c1cc([C@H](NCc2csc(C3CC3)n2)C(F)(F)F)cc(C(F)(F)F)c1 543980428 DYBKRFJLSFWLHL-ZDUSSCGKSA-N 448.354 6.451 30 20 IKED O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 549237911 AXYUUDHUSUGJNG-JSGCOSHPSA-N 430.339 5.332 30 20 IKED CC(C)Cn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CCC(C#N)CC1 549846615 BQQPFQLBLAHSDW-UHFFFAOYSA-N 433.531 5.059 30 20 IKED Cc1nc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)sc1SCC#N 549963599 GCIAELCJPZHKJS-UHFFFAOYSA-N 436.587 5.483 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCN(CC(F)(F)F)CC3)cc2Cl)cc1 551441132 FDIBHBVVKZMLTH-UHFFFAOYSA-N 437.849 5.217 30 20 IKED COc1ccccc1Oc1ccc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 554470509 NNIKFIPIJHZSMH-SFHVURJKSA-N 447.560 6.203 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@@H](CCCc2ccccc2)c2ccccc2)CC1 554594435 JEVPUHPCBWLLKB-VWLOTQADSA-N 438.575 5.413 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)Nc1ccccc1Oc1ccccc1 554871584 XPZDOSQJNNPBRM-UHFFFAOYSA-N 443.890 5.266 30 20 IKED C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC2(CCOCC2)[C@H]1C 554931421 AKNOSBUIHUHOOI-OAQYLSRUSA-N 444.579 5.106 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc2)ccn1 555008250 XCVCIHPJVYLYQA-UHFFFAOYSA-N 430.483 5.371 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(c2nc3ccccc3[nH]2)CC1 555240434 JFHAFLAORQMGAA-UHFFFAOYSA-N 449.562 5.330 30 20 IKED C=CCn1c(SCc2nc(CC(C)C)no2)nc2scc(-c3cccs3)c2c1=O 557851284 IGVDTBKZLWWZQL-UHFFFAOYSA-N 444.607 5.246 30 20 IKED C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 558625713 CEOVCNRYSXEVDT-HSZRJFAPSA-N 444.501 5.204 30 20 IKED Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cs1 572807236 NPECVUQJHFFBPE-UHFFFAOYSA-N 445.563 5.723 30 20 IKED CN(C)c1cccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1 574123551 FSCWWSODANBMAZ-DEOSSOPVSA-N 427.508 5.181 30 20 IKED COc1ccc(C(NCc2ccc(Br)cc2C#N)c2ccc(OC)cc2)cc1 589056339 HMTDQTCXSKQLRF-UHFFFAOYSA-N 437.337 5.217 30 20 IKED N#Cc1cccc(C(=O)N(Cc2ccc(OC(F)F)cc2)C23CC4CC(CC(C4)C2)C3)n1 589782627 YWMCSTOFVRLBDZ-UHFFFAOYSA-N 437.490 5.166 30 20 IKED N#C[C@@H](C(=O)c1csc(Nc2ccccn2)n1)c1nc(-c2c(F)cccc2F)cs1 606145034 GSZQAKMVEYWEHV-NSHDSACASA-N 439.472 5.173 30 20 IKED Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2ccccc2-c2ccccc2C#N)C1 608818733 BMLYNJZJPBBHKQ-LJQANCHMSA-N 429.951 5.443 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 608915769 ASCNAYXAJYZHPP-UHFFFAOYSA-N 442.519 5.018 30 20 IKED C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 609125480 VFASDANDCRDKJN-MRXNPFEDSA-N 440.528 5.478 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)o1 609381576 OLQDZGSPPIGLAN-HSZRJFAPSA-N 425.488 5.579 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(COCC(F)(F)F)cc1 609434883 XGSFONYMEIRTIE-HNNXBMFYSA-N 437.487 5.481 30 20 IKED Cn1ccnc1COc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 609500844 HOXNUJVSJITFBM-UHFFFAOYSA-N 438.487 5.110 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)cc2)nn1 610184410 YHCGLWOMRBJJDF-UHFFFAOYSA-N 440.434 5.633 30 20 IKED Cc1ccccc1C1CC(N(C(=O)c2ccc(COc3ccccc3C#N)o2)C2CC2)C1 610193345 IYXGHGUGJCUJAH-UHFFFAOYSA-N 426.516 5.590 30 20 IKED CN(C(=O)c1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1)c1ccccc1 611132021 MSKFVXSMTOXEQH-UHFFFAOYSA-N 448.482 5.274 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)n1 611839125 IPQMTJWXSZQEBW-KRWDZBQOSA-N 444.926 5.290 30 20 IKED C[C@]1(C#N)CCCN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 612365841 AIPDMQZPLQDLIW-XBEJUPMFSA-N 446.532 5.287 30 20 IKED Cc1onc(-c2ccccc2)c1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613404381 LGMWXYBFMBALTE-CQSZACIVSA-N 427.407 5.769 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 615674473 GJEBLUAHGFIMAS-FQEVSTJZSA-N 431.536 5.128 30 20 IKED N#Cc1ccc(NC(=S)N2CCc3[nH]c4c(Br)cccc4c3C2)cc1Cl 726476243 HASLRNPHQZMBAN-UHFFFAOYSA-N 445.773 5.211 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)s3)SC2=S)cc1Cl 726626872 LYGQFJXVFXKKOA-SDQBBNPISA-N 441.784 5.441 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3csc(-c4ccc(O)cc4)n3)c2)cc1 728601780 GBKUAHUADWNHMH-UHFFFAOYSA-N 441.512 5.413 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(CCc1ccccc1)C1CC1 728738617 PXVBKDUUBRAADA-UHFFFAOYSA-N 425.532 5.685 30 20 IKED CC(C)(C)OC(=O)NCCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 729037655 WVBIGOTXFAURQG-LJQANCHMSA-N 442.947 5.032 30 20 IKED Cc1sc(NC(=O)c2sc3cc(Br)ccc3c2Cl)c(C#N)c1C 729826214 XZKOWHRSEMPKQY-UHFFFAOYSA-N 425.760 6.120 30 20 IKED Cc1cc(C(=O)OCc2nnc(-c3cccc(Cl)c3)o2)c(C)n1-c1ccc(C#N)cc1 730305335 XQSWICMTVBHUOZ-UHFFFAOYSA-N 432.867 5.026 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC=C(c2c[nH]c3ccccc23)CC1 731031482 SZOBCQHGCWTUER-SFHVURJKSA-N 430.577 5.147 30 20 IKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(C2CCC2)C1=O)Nc1cccc(O)c1 731304160 KOZHDPPCNOJOJY-JOCHJYFZSA-N 445.544 5.058 30 20 IKED C=CC[C@@H](NC(=O)Cc1csc(-c2cc(Br)cs2)n1)c1ccncc1 734360283 HROOZPVXMNWGEC-OAHLLOKOSA-N 434.384 5.005 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)CCc3ncc(-c4ccccc4F)o3)c2)s1 739596559 YBSDQXNOBMFSFM-UHFFFAOYSA-N 431.492 5.330 30 20 IKED CC(C)(C)c1noc(COc2ccc(OCc3cc(Cl)ccc3OCC#N)cc2)n1 742360629 VZIXWFBTTYCPKL-UHFFFAOYSA-N 427.888 5.081 30 20 IKED CCn1nc(C)c(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c1Cl 742785216 QXMNQSYFLNDJMW-UHFFFAOYSA-N 448.832 5.800 30 20 IKED Cc1ccc(N2CCCN(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CC2)cc1 743238511 RRNCIMPUYABAAJ-UHFFFAOYSA-N 444.510 5.542 30 20 IKED C=CC[C@H](NC(=O)N(Cc1ccc(-c2ccccc2OC)cc1)C(C)C)c1ccncc1 745828352 SHNMVVKWHPTHCH-VWLOTQADSA-N 429.564 5.995 30 20 IKED N#Cc1cccc(C(=O)CSC2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(F)cc2)c1 747762520 DTRFHDNKFGNRFN-HYARGMPZSA-N 441.487 5.057 30 20 IKED N#C[C@H](C(=O)CCCOc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 748003671 GHYJTSUZDFJPGF-CYBMUJFWSA-N 425.699 5.153 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC(c3nc(C(C)(C)C)cs3)CC2)cc1 750060108 DKVNFJMKQJOXCZ-IBGZPJMESA-N 438.641 5.264 30 20 IKED CC(=O)N(c1nc(/C=C2\Cc3c(F)cc(F)cc3C2=O)cs1)c1ccc(F)cc1F 751535970 NUAZROVALMDHFC-NYYWCZLTSA-N 432.398 5.207 30 20 IKED CN1C(=O)CCc2cc(C(=O)/C=C\c3ccc(Br)c(Br)c3)ccc21 754690467 XJKJKGNCQLPSLG-BAQGIRSFSA-N 449.142 5.017 30 20 IKED Cc1sc([C@H](C)NCc2ccc(N(C)CCC#N)cc2)nc1-c1ccc(Cl)cc1 756152179 YMAQZQCZIUBXEV-INIZCTEOSA-N 425.001 5.973 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCCc1csc2ccccc12 756233661 NALADUTYYVGWQU-QGZVFWFLSA-N 440.952 5.542 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)[C@H](C)c2sc(-c3ccccc3)nc2C)c1 759321650 JFSNYYMKVDRKCY-NQIIRXRSSA-N 448.592 5.702 30 20 IKED N#CCn1c(C(=O)O[C@H](c2cccnc2)c2cccc(C(F)(F)F)c2)cc2ccccc21 759597239 PJRKMHFREKESHF-QFIPXVFZSA-N 435.405 5.525 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN(Cc2ccc(Cl)cc2)C2CC2)c1=S 764895795 AIAXXNJUJGQWNN-UHFFFAOYSA-N 425.989 5.328 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(OC(C)(C)C)cc2)cs1 764919570 FJBQYFHNGBVTNU-NTEUORMPSA-N 438.524 6.040 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 767324337 NHHVHLSLKFUVJG-QUCCMNQESA-N 431.458 5.085 30 20 IKED CCc1nn(C)c(Cl)c1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 767615028 FPNRJSMJQMSFGW-UHFFFAOYSA-N 448.832 5.571 30 20 IKED Cn1cc(/C=C\C(=O)c2cc(Cl)sc2Cl)c(-c2ccc3c(c2)OCCCO3)n1 767872979 UNXIMPQDYJSRIH-HYXAFXHYSA-N 435.332 5.513 30 20 IKED CC(=O)N1C/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)c2ccccc2C1 778517391 KOIFWUJEOQMTQV-PDGQHHTCSA-N 436.305 5.338 30 20 IKED COc1ccc([C@@H](NCc2ccc(O[C@H](C)C#N)cc2)c2ccc(C(F)(F)F)cc2)cc1 778646284 NXLGYOXSDJYGSL-OSPHWJPCSA-N 440.465 5.884 30 20 IKED CC(C)(C)Sc1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 784258725 VFJQBUOLVRMPAK-QHCPKHFHSA-N 443.572 5.810 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)c1cccc([C@H]2CCCOC2)c1)c1ccc(Cl)cc1Cl 787048246 FQHWBQWVGWDYLQ-VHFSOBRXSA-N 445.346 5.087 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 789451793 OCISMZJJUCUWGF-UYAOXDASSA-N 429.605 5.696 30 20 IKED N#C[C@H](C(=O)[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1)c1cnc2ccccc2n1 792102033 DJCJEIZFQKZCFI-FYSMJZIKSA-N 448.309 5.933 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CCN(c2ccccc2Cl)C1)c1nc(-c2c(F)cccc2F)cs1 810556106 ZKCOITMWUKTKDU-KGLIPLIRSA-N 443.906 5.444 30 20 IKED C=CCOc1ccccc1C(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 814231736 MNKGNSGWZGBMRT-UHFFFAOYSA-N 427.544 5.040 30 20 IKED N#Cc1ccsc1NC(=O)COC(=O)/C=C/c1ccc(-c2ccccc2Cl)s1 900047618 QKIQBNYQRSIBDX-SOFGYWHQSA-N 428.922 5.197 30 20 IKED CC(=NNc1ccc(OC(F)(F)F)cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 914695444 VKVBLJZNIGAKJK-UHFFFAOYSA-N 426.460 5.138 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCC(=O)c3ccc4c(c3)OCCCO4)n2)cc1 915100753 ZAHJGVWULMELDA-IBGZPJMESA-N 446.528 5.119 30 20 IKED Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4cccc(OCC#N)c4)c23)cc1 916410679 HPQSZNZRMWWEPI-UHFFFAOYSA-N 446.557 5.300 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Oc2ccc(Cl)c3ccccc23)CC1 916881448 SYFPJPOIKQXZNS-UHFFFAOYSA-N 447.878 5.435 30 20 IKED N#C[C@@H](C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 916888413 XRCXCWMFNMOAPZ-LADGPHEKSA-N 448.975 5.188 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cc2c(Cl)cccc2s1 916902509 HBRJETQNABCQQB-LBPRGKRZSA-N 433.316 5.486 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cc1csc(-c2cccc(C)c2)n1 916909905 WAVFIGLVTWZLPF-OAQYLSRUSA-N 431.561 5.133 30 20 IKED CCCc1noc(CCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1 916995755 FAPGKUCIMVRPQB-CQSZACIVSA-N 449.363 5.652 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(C)nc3sccc3c2=O)cc1C 917580897 XJTIWAYZOJAXKW-UHFFFAOYSA-N 439.544 5.118 30 20 IKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(C)cc2)cc1 917613768 UWIORHKWQIIDFG-UHFFFAOYSA-O 442.608 6.381 30 20 IKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)c(Cl)c4)CCC3)cc2)CC1 1787882227 LAQAHZUVBWOUQF-UHFFFAOYSA-N 428.319 5.045 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3cccnc3C)CCC2)cc1 1789453211 OGVVLAQIUHBGIG-XMMPIXPASA-N 431.580 5.225 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)C3(c4ccccc4)CCC3)cc2)CCC1 1791525412 UXYLRFPLJMCTSP-HXUWFJFHSA-N 447.579 5.043 30 20 IKED C=CCSCC(=O)NC[C@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1 1804177630 ZKRNCLAOUZKZGT-QPPBQGQZSA-N 445.673 5.003 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(OC)ccc2C)[nH]n1 1819556022 PARMCNXNOVGLOS-OAQYLSRUSA-N 438.572 5.025 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)ccc2C)CC1 1824143049 DRSZUUXTKIPJFU-VWLOTQADSA-N 438.612 5.005 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)CC1 1828045208 ZJSCFPASMXCQRC-ZCYQVOJMSA-N 433.596 5.170 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)CC1 1828155677 JCRRMVYRUQCHOH-UWJYYQICSA-N 442.600 5.486 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCn2cccc2)CC1 1829038949 ASTMUSXMPABRON-JWQCQUIFSA-N 439.644 5.047 30 20 IKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(C)(C)C)s2)CC1 1831851180 YXSCWNCHENGKMA-HXUWFJFHSA-N 428.642 5.082 30 20 IKED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)C1 1843458538 KYHSVTLIZLXTPP-UHFFFAOYSA-N 440.971 5.409 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2cccc(Cl)c2C)cc1 11256552 OZKIVDSNMCCDDD-UHFFFAOYSA-O 444.407 6.203 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2cccc(CO)c2)c1 11258325 GWRWPQNVVXQEIY-UHFFFAOYSA-O 439.988 5.096 30 20 IKED C=CCOc1ccc(/C=C(\Cl)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1OC 16440185 PQEAJPNRUUWXDL-PTNGSMBKSA-N 428.941 5.174 30 20 IKED C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 22132625 IAIOSLWJQKLSOJ-IKMPRTQCSA-N 444.560 5.579 30 20 IKED CCOc1ccc(-n2c(S[C@@H](C)C#N)nnc2-c2ccc(Br)cc2)cc1 23537289 YTMUZHDEBHXLNE-ZDUSSCGKSA-N 429.343 5.100 30 20 IKED COc1cc([C@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)ccc1OC(C)C 26947299 SLEOHTOHBGMDBZ-SFHVURJKSA-N 446.572 5.996 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2oc3ccccc3c2COc2ccccc2)cc1 29201148 DJDRUEKKSKOYDF-UHFFFAOYSA-N 441.487 5.572 30 20 IKED O=C(Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1)c1ccnc(F)c1 60318613 DCGMYZSVIHEXQD-UHFFFAOYSA-N 449.351 5.558 30 20 IKED Cc1ccc(C(C)C)c(OC/C(O)=N/c2ncn(Cc3ccc(Br)cc3)n2)c1 64463973 AKSUUDWDJIBULH-UHFFFAOYSA-N 443.345 5.188 30 20 IKED COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OC)c(OCCCC#N)c2)cc1 64613143 LHMZSBGFBWVZKT-VWLOTQADSA-N 443.503 5.157 30 20 IKED C=CCN(Cc1cccs1)C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 69770945 KVSUJDBBXBQHGH-JOCHJYFZSA-N 438.980 5.478 30 20 IKED C=CCOc1c(Br)cc(CN[C@@](C)(CC)c2nccs2)cc1OCC 237008072 STZZQRFLYGIZMA-IBGZPJMESA-N 425.392 5.284 30 20 IKED N/C(=N/Cc1cccc(NC(=O)N2CCCC2)c1)Nc1cccc(Oc2ccccc2)c1 304472467 FEJUJXTZLDPXNN-UHFFFAOYSA-N 429.524 5.033 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC3(Cc4ccc(F)cc4)CCOCC3)cc2)c1 433134506 KZOSUKSPAVCCCQ-UHFFFAOYSA-N 445.494 5.403 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)CCSc2ccnc3cc(Cl)ccc23)cc1 434224762 HCGHUYUPGZDOKK-UHFFFAOYSA-N 440.956 5.317 30 20 IKED N#CCC[C@H](NC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccccc1 436383672 FKUSWBUMSNEMQS-ROUUACIJSA-N 443.391 6.043 30 20 IKED COc1ccc(O[C@@H](C)CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 437961940 LCCLNWBCDIGSIX-IBGZPJMESA-N 445.519 5.043 30 20 IKED Cc1ccc(Cl)c(N(Cc2ncc[nH]2)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1 440908877 ZROZWOKCIQXOLP-UHFFFAOYSA-N 443.894 5.278 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(Oc4cccc(Cl)c4Cl)nc3)[nH]c12 442729060 HZCDDVIOPUVFLP-CQSZACIVSA-N 437.286 5.856 30 20 IKED Cc1occc1-c1nnc(Sc2ccc(C(F)(F)F)c(C#N)n2)n1Cc1ccccc1 443443023 MJTVELYJDTXXOE-UHFFFAOYSA-N 441.438 5.332 30 20 IKED CCOc1ccc([C@@H](NCc2nnc(-c3cccc(C#N)c3)o2)c2cccc(Cl)c2)cc1 443455301 RFLXMHWAEAHNEB-XMMPIXPASA-N 444.922 5.540 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 446631200 KHPXZTHWIASFST-HYBUGGRVSA-N 441.600 5.667 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H]1c1ccc(COC)o1 460957660 IPWAJTSEJBAXQL-OAQYLSRUSA-N 429.524 5.150 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c(C)nc(C3CC3)nc2SC)cc1 461967862 DMFYETPOMPEJOB-UHFFFAOYSA-N 446.532 5.309 30 20 IKED N#Cc1ccc(F)c(CNC(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1 466204473 UZFXHIJECHGXPV-UHFFFAOYSA-N 428.920 5.050 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)cc1Cl 468643722 SGODMYWTNGIPBU-UPVQGACJSA-N 435.911 5.071 30 20 IKED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(F)cc1Br 469293862 VWUMHKIDYGHFRM-CQSZACIVSA-N 430.321 5.344 30 20 IKED N#CCSc1ccccc1NC(=O)CN1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 469533027 KPOMYHBCEHOUFK-LJQANCHMSA-N 433.499 5.487 30 20 IKED CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 475327182 HKJADRHKLWLYMC-NRFANRHFSA-N 443.513 5.216 30 20 IKED N#C[C@H](NC(=O)c1cc(F)c(Br)cc1Cl)c1cccc(C(F)(F)F)c1 475775583 UFXNPBVLGXALCN-AWEZNQCLSA-N 435.602 5.255 30 20 IKED Cn1ccnc1[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1cccc(F)c1 479512326 MKEKICOUYOPJJN-HSZRJFAPSA-N 442.519 5.101 30 20 IKED Cc1ccc2c(N[C@H](C)c3ccc([S@@](C)=O)cc3)c(C#N)cnc2c1Br 480088722 AJZFNDSOMSDROT-ZBSNKRKSSA-N 428.355 5.088 30 20 IKED C[C@H](CNC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)C(F)(F)F 480581528 BBWCEVZFDDXRIY-SECBINFHSA-N 425.304 5.352 30 20 IKED C=CCOc1ccc(C(=O)N2CCC(c3nc(-c4ccccc4OC)cs3)CC2)cc1 481580614 KWKBMXWEFHPRBT-UHFFFAOYSA-N 434.561 5.403 30 20 IKED CCOCCN(C)C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482349507 TUJPTGHEYNEEBJ-LBPRGKRZSA-N 440.306 5.006 30 20 IKED Cn1ccnc1C[C@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 483049703 JIYFSKUKGOPVOE-XMSQKQJNSA-N 447.970 5.216 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N(C)[C@H](C)c1cccnc1 483245151 LGYIHZQZMAGIEE-QGZVFWFLSA-N 434.565 5.253 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl 483438053 LAPMQRIUEINNJA-QHCPKHFHSA-N 447.922 5.506 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 484699477 BJNJREXYAANPNL-UHFFFAOYSA-N 436.880 5.154 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCCC2)cc1Cl 486734441 MMQUJEHRZWKETD-DNVJHFABSA-N 449.982 5.363 30 20 IKED CC1CCN(C[C@H]2CCCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)C2)CC1 491649036 STLLCJQVFDXNQL-OAQYLSRUSA-N 432.568 5.326 30 20 IKED C/C(=C/c1ccccc1)CN(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 494510418 MGOUZCFKJYIISK-VBKFSLOCSA-N 435.578 5.269 30 20 IKED C[C@H](c1ccccn1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 496338221 DDCHZEUEBZPZCT-CYBMUJFWSA-N 445.470 5.244 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)c1 499370231 MPOZYPZHXYZQIK-LJQANCHMSA-N 427.287 5.454 30 20 IKED C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C1 500372780 WQJYYDZBSJTMBH-SAIGTISXSA-N 438.955 5.406 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 501587739 VXBAVFXVGOTEGI-UHFFFAOYSA-N 427.552 5.291 30 20 IKED C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 502211313 DZKHWTBFUVSPCT-IBGZPJMESA-N 442.519 5.034 30 20 IKED Cc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2Br)nn1-c1cccc(C#N)c1 503681376 QUJNDYPQYXAMDW-UHFFFAOYSA-N 449.230 5.086 30 20 IKED C=CCN(C(=O)Cc1c[nH]c2cccc(C)c12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 504475201 ZLJFVFVSMJKFSU-UHFFFAOYSA-N 432.505 5.270 30 20 IKED Cc1onc(-c2cccc(Br)c2)c1C(=O)N[C@@H](C#N)c1ccccc1Cl 505636025 LAUICJZQGKLVOD-INIZCTEOSA-N 430.689 5.061 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)cc1 507910099 VBBZCLAVHFDELX-UHFFFAOYSA-N 442.450 5.501 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCc2c[nH]c3ccccc23)cc1 508280963 RGDHVOQLZSFRNH-UHFFFAOYSA-N 426.476 5.205 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 509687918 XHTHKOHVAIRHKY-UHFFFAOYSA-N 440.503 5.233 30 20 IKED COc1ccccc1CN(C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C1CC1 511441370 QLKJDSJQPYYARX-UHFFFAOYSA-N 440.503 5.016 30 20 IKED C[C@@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)C(=O)Nc1cc(F)ccc1F 512766999 MFKYSNQBZHAQHI-GFCCVEGCSA-N 425.460 5.099 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc(OC)c1OCc1ccccc1 513681456 CLOOYSXKBGBSHO-GOSISDBHSA-N 444.512 5.383 30 20 IKED CC(=O)N[C@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccs1 514544422 KLOYIUJSDPGLBS-TZIWHRDSSA-N 437.952 5.263 30 20 IKED N#Cc1ccc(/C=C\c2nc(-c3ccccc3-c3ccc(CN4CCCC4=O)cc3)no2)cc1 515023055 GDXWHCRYMSXAHV-SSZFMOIBSA-N 446.510 5.568 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2nc3ccccc3o2)c(C)c1 515597610 SBYSMCXIFYILIP-NRFANRHFSA-N 432.483 5.787 30 20 IKED N#CCc1ccc(NC(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)cc1 518295435 ZTZLEXWOWJVPNW-UHFFFAOYSA-N 443.482 5.126 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 518660019 DEJDRVRHXQNORZ-WMZOPIPTSA-N 441.984 5.083 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC[C@@H](c3cccs3)N3CCCC3)cc2)cc1 518917224 HWGISHGDRWVSGU-QHCPKHFHSA-N 431.561 5.173 30 20 IKED C=CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 519034948 HTSFTWMBKMBJCF-HXUWFJFHSA-N 441.583 5.149 30 20 IKED N#CCCN(CCC#N)C(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1 519282316 XZVMBOFKIPOQCJ-UHFFFAOYSA-N 444.347 5.177 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CSc3ccc(C(F)(F)F)cn3)cc2)cc1 519977146 KMDYBYLEOQACRN-UHFFFAOYSA-N 429.423 5.495 30 20 IKED C=CCN(C(=O)Cc1ccccc1C(F)(F)F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 521525551 OSTGYXARNCTCCN-UHFFFAOYSA-N 447.438 5.499 30 20 IKED Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 521748026 IWNDKGHQDUCIGS-AEFFLSMTSA-N 443.016 5.548 30 20 IKED Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)Nc2ccc(C#N)cc2)C3)cc1 521837739 YXMXDLVMLAKVHM-UHFFFAOYSA-N 425.492 5.101 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(OCc3cccc(F)c3)c2)c1 523273643 TYGZBXDJZLYKLK-UHFFFAOYSA-N 442.446 5.701 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccccc3NCC(F)(F)F)c2)cc1 523744336 ZGGRTWIODHHBJK-UHFFFAOYSA-N 425.410 5.364 30 20 IKED COc1c(Br)cc(CN[C@H](CCC#N)c2ccccc2)cc1Br 533496825 SKEAUSZZFPCMEW-QGZVFWFLSA-N 438.163 5.355 30 20 IKED CCN(C(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c12)c1ccc(C#N)c(Cl)c1 539173248 OXQHFKBNFORODT-UHFFFAOYSA-N 434.883 5.798 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 539756427 GOHILCNFDZNBGY-CQSZACIVSA-N 442.441 5.468 30 20 IKED CCC(=O)Nc1ccc(C)c(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 541993534 GNBDVOJUOUYPAL-SFHVURJKSA-N 426.520 5.765 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC(CC#N)CC1 549290519 CXPZMZWCVPRIOI-GOSISDBHSA-N 427.980 5.395 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2nnc(C3CCOCC3)s2)c1 557914581 HPZKXFDUTRIJLP-UHFFFAOYSA-N 440.912 5.002 30 20 IKED Cc1ccc(-c2nc(Cc3noc(-c4cc(-c5cccc(C#N)c5)no4)n3)cs2)cc1 561874672 LOYGNKUJTVFMLP-UHFFFAOYSA-N 425.473 5.286 30 20 IKED CC(C)Oc1ccc(-c2noc([C@@H](C#N)Cc3ccc(C#N)cc3)n2)c(C(F)(F)F)c1 561893115 OJEHEZKYUSTTIP-MRXNPFEDSA-N 426.398 5.264 30 20 IKED CSCC[C@](C)(C#N)NC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C 563477493 YRDLDSSEONRROZ-JOCHJYFZSA-N 441.626 5.123 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1sc2ccccc2c1Br 571133283 MSNFHOVRPVOIEC-GFCCVEGCSA-N 431.380 6.168 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F 590376861 OYMCZCOGHWWFSL-SNVBAGLBSA-N 436.327 5.021 30 20 IKED C=CCN(C(=O)c1ccc(C(=O)N(CC)CCC)cc1)c1nc(-c2ccccc2)cs1 591004291 XKGLSORVSYMMPY-UHFFFAOYSA-N 433.577 5.515 30 20 IKED N#Cc1c(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)sc2c1CCC2 602754428 DMCAUTPHKYRXAP-UHFFFAOYSA-N 447.610 6.142 30 20 IKED CCN(C(=O)Cc1ccc(NC(=O)CSCc2ccc(C#N)cc2)cc1)c1ccccc1 603989819 CQLQVUCCEIONSE-UHFFFAOYSA-N 443.572 5.026 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H]3Cc3ccc(F)cc3)c2)cc1 604085204 VDNVVIBZFXFRPX-VWLOTQADSA-N 443.522 5.710 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)C2CC2)cc1Cl 604140282 YTRLJVKVBWRZLG-UPVQGACJSA-N 443.934 5.201 30 20 IKED CN(Cc1csc(Br)c1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604406633 JGHIFEZYOKANGC-UHFFFAOYSA-N 443.326 5.233 30 20 IKED CCCCN(C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[C@@H](C)c1ccc(C)o1 604500451 AKFDLGFPOCIIQQ-IBGZPJMESA-N 444.535 6.107 30 20 IKED N#Cc1cnn(-c2ccc(C(=O)Nc3ccc(Sc4ccccc4Cl)cc3)cc2)c1N 608926109 CPQBFHVDUUGXSO-UHFFFAOYSA-N 445.935 5.383 30 20 IKED Cc1cc(Br)oc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609062201 FLAFSHJRFWMHAM-UHFFFAOYSA-N 445.700 5.707 30 20 IKED CCCN(CCc1ccccn1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609206489 LZIALYZGKNBREQ-QHCPKHFHSA-N 432.955 5.877 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1csc2nc(-c3ccccc3)cn12 609377813 NQQPQEQUKKVSKF-INIZCTEOSA-N 432.574 5.496 30 20 IKED CCN1CCN(c2ccc(NC(=O)Nc3ccccc3S[C@H](C)CC#N)c(C)c2)CC1 609433095 SHLLUWRDAFKHGS-LJQANCHMSA-N 437.613 5.175 30 20 IKED Cc1cc(C)c(C#N)c(N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)n1 609511587 CRPBMUZKAZBMGL-DEOSSOPVSA-N 431.584 5.263 30 20 IKED CN(C)[C@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc(Cl)c1 609547725 ITRDNUCPDHGLEW-DEOSSOPVSA-N 433.939 5.226 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCc2cc(F)ccc2[C@H]1C 610018437 LKXOLQGVYRJZNC-GOSISDBHSA-N 429.495 5.736 30 20 IKED CN(Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 610325151 BDOCPNZVSWJBJN-QHCPKHFHSA-N 426.520 5.089 30 20 IKED Cc1sc(-c2ccco2)nc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613405315 XTNVBTDJWHGGMQ-LLVKDONJSA-N 433.436 5.830 30 20 IKED C[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(OC(F)F)c1 618554272 IZUXGYLOKQTORC-JLLWLGSASA-N 434.327 5.121 30 20 IKED N#Cc1cc(NC(=O)c2sc(-c3ccccc3)nc2C(F)F)ccc1OC(F)(F)F 619665212 LXKBPTVSNQZWJI-UHFFFAOYSA-N 439.365 5.770 30 20 IKED O=C(c1cnc2ccccc2c1C(F)(F)F)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674466827 PEQKEQUDGXQFMK-GHMZBOCLSA-N 430.270 5.066 30 20 IKED O=C(Nc1cccc(C(F)F)c1Cl)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 680491429 ZNQKUQMTIOAHOP-YUMQZZPRSA-N 438.746 6.309 30 20 IKED C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)Nc1ccc(C(F)(F)C(F)(F)F)cc1 681142087 PKSXYMTVVYPAGL-LLVKDONJSA-N 440.334 6.189 30 20 IKED CCc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnn1C1CCCC1 682766000 IOIHAJQZKVGWGX-AWEZNQCLSA-N 432.471 5.679 30 20 IKED C=C(CNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F)c1ccccc1 685215924 WRLDNZMUYZWJGD-UHFFFAOYSA-N 439.359 5.353 30 20 IKED Cn1c([C@H](C#N)C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)nc2ccccc21 726318756 POULHUYWPQSTMY-MRXNPFEDSA-N 440.450 5.135 30 20 IKED C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N\[C@@H](C)c1cccs1 726419030 GOYMOSMANYRKLX-LDVUSWCWSA-N 448.013 5.286 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Oc3ccc(NC(=O)c4cccs4)cc3)o2)cc1 727985134 YPVJMDBVALNPRI-UHFFFAOYSA-N 444.468 5.263 30 20 IKED CC(=O)c1ccccc1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1C 728062517 LOIZNOYOGWILKJ-SFHVURJKSA-N 427.504 5.087 30 20 IKED N#C[C@@H](C(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(=O)Nc1cc(Cl)cc(Cl)c1 728766569 CEZIMSLGZNFNGW-HOTGVXAUSA-N 429.225 5.377 30 20 IKED C[C@H](OC(=O)c1cc2ccccc2n1CC#N)c1nc(-c2cccc(C(F)(F)F)c2)no1 729766940 OONJVHGACJPPEN-ZDUSSCGKSA-N 440.381 5.152 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(C2CCC2)C1=O)Nc1ccccc1C(F)(F)F 730459724 MNLUSEIUWSDVCB-SFHVURJKSA-N 447.482 5.218 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3cc(Br)cs3)n2)cc1 730686727 IITONDAVYUJXAE-MRXNPFEDSA-N 431.380 5.752 30 20 IKED COc1cc(C)c(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccncc2)cc1OC 731317909 FXGILJLRZBTOQN-MDZDMXLPSA-N 425.488 5.156 30 20 IKED C=CC[C@@H](NC(=O)N[C@@H](Cc1ccccc1C)c1ccc(OC)c(OC)c1)c1ccncc1 734665290 KYBSDIVOXIEIKN-RPWUZVMVSA-N 445.563 5.308 30 20 IKED Cc1cc(C(=O)CSCc2cc(Cl)ccc2OCC#N)c(C)n1-c1nccs1 735320518 WFTSGZBBBYYGRP-UHFFFAOYSA-N 431.970 5.223 30 20 IKED N#CC(CCOC(=O)c1csc(Nc2ccccn2)n1)(c1ccccc1)c1ccccc1 736898237 JJORIFSJKZVTKC-UHFFFAOYSA-N 440.528 5.338 30 20 IKED C=CCCCCCN(C)C(=O)Nc1ccc(N2CCC(OC)CC2)c(C(F)(F)F)c1 740446692 BKMDTLHFQGNKLU-UHFFFAOYSA-N 427.511 5.531 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](Cc2ccccc2)c2ccccc2F)c1 740917277 MYVPPMZFRDUMPN-SQJMNOBHSA-N 431.511 5.290 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc(CNC(=O)C=C(C)C)cc2)c1 742660110 WPUKPDUUZPTXGU-UHFFFAOYSA-N 428.557 5.159 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCCOc1cccc(Cl)c1Cl 743450111 XFXGRCKJSANGAH-QGZVFWFLSA-N 447.362 5.625 30 20 IKED C=CC[C@H](NC(=O)N[C@@H](c1cc(F)ccc1F)c1ccccc1Cl)c1ccncc1 745827322 JIDJSVGJAIVGLE-FCHUYYIVSA-N 427.882 5.719 30 20 IKED CN(Cc1ccccc1)CC(C)(C)C=Nn1cnnc1SCc1ccc(Cl)cc1 747630815 UEULCHYTQPJZSH-UHFFFAOYSA-N 428.005 5.216 30 20 IKED C=CC[C@H](NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1)c1ccncc1 748636362 VLRBUYUXVUFABJ-VXKWHMMOSA-N 430.552 6.024 30 20 IKED N#CCCn1cc(CN[C@H]2CCOc3c2ccc(Cl)c3Cl)c(-c2ccccc2)n1 752989118 ZRIAHQLWMMVCQX-IBGZPJMESA-N 427.335 5.384 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)/C=C\SCc3ccco3)s2)c(C(F)(F)F)c1 754225008 ONNIDYJWTDBVHE-ALCCZGGFSA-N 449.479 5.603 30 20 IKED C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 755227341 SYAPLXQWXHINAV-KXBFYZLASA-N 442.947 5.030 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 755505371 RJZJRXDMMMNJPG-UHFFFAOYSA-N 444.491 5.274 30 20 IKED O=C(/C=C\c1cc(Br)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)nc1O 759076050 KWZHJKBUFLMZCA-IWQZZHSRSA-N 440.137 5.483 30 20 IKED COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)c2)cc1 759119774 CNTYCIWHWSFQNZ-AUWJEWJLSA-N 440.499 5.073 30 20 IKED COc1ccccc1Oc1ccc(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc1F 761841374 DQCACXQEXXBYBJ-XMMPIXPASA-N 447.466 5.104 30 20 IKED C[C@@H](CC(=O)Nc1ccccc1SC[C@H](C)C#N)C1CCN(C(=O)OC(C)(C)C)CC1 765451630 BHXZQZVRQVBUKO-MSOLQXFVSA-N 445.629 5.550 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC(O)(c4ccccc4Cl)CC3)cc2)cc1 765620095 ILYNWJLLUUOWBV-UHFFFAOYSA-N 446.934 5.322 30 20 IKED CC(C)(C#N)c1ccccc1COC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 768017820 RSIZIZWBSSTGNG-UHFFFAOYSA-N 428.517 5.154 30 20 IKED CCC[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1ccc(Cl)c(Cl)c1 775316000 ILAAFOSDJBWTFJ-VQIMIIECSA-N 439.346 5.661 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 777780473 YZROPNUXVWGVHO-IBGZPJMESA-N 435.524 5.245 30 20 IKED C=CC[C@@H](OC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 778738975 LHTOFXSOTBLSFJ-OAQYLSRUSA-N 431.454 5.418 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)cc1)c1nc2ccccc2o1 779197195 WNWQAUAFEDZJLT-OFCAXSSNSA-N 447.922 5.131 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)cc1 783807760 OLSATUDYHWLLPT-HSZRJFAPSA-N 447.491 5.078 30 20 IKED C=CCN(C(=O)c1cncc(Cl)n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 790113698 KCKAEGWAWXLKLX-UHFFFAOYSA-N 432.936 5.753 30 20 IKED N#C[C@@H](C(=O)CN1CCC([C@H](F)c2ccccc2F)CC1)c1nc2ccccc2s1 796138633 TYJQBDSPSCRIJW-JTSKRJEESA-N 425.504 5.034 30 20 IKED CC(C)([C@@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1ccc(Br)cc1)[N+](=O)[O-] 796831651 GFDCMOXCGMBCTQ-PXNSSMCTSA-N 445.313 5.176 30 20 IKED Cc1ccc(CN(C[C@H]2CCCO2)C(=S)Nc2ccccc2C#N)c(Br)c1 798374642 WXWHTNBEPLUTTM-GOSISDBHSA-N 444.398 5.007 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C(C)(C)C 799216742 XORMOBKRUJEWFS-CRAIPNDOSA-N 434.606 5.142 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2c(C)cc(C)cc2O)cs1)c1ccc(F)cc1F 799894922 ITOPKJNZQBNADG-ALCCZGGFSA-N 428.460 5.324 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3c(C(C)=O)oc4cc(C)ccc34)n2)cc1 805865236 WLCGEFSOYVLWBF-HXUWFJFHSA-N 444.512 5.495 30 20 IKED CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[C@@H](C#N)c1nccc2ccccc12 805929428 DMDLUYGFCFMLPZ-GMAHTHKFSA-N 443.547 5.703 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNCc2ccc(C#N)cc2C(F)(F)F)cc1 810148922 RHQGRPFTSQVWSZ-HNNXBMFYSA-N 433.474 5.453 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(Cl)ncc1Br 810198657 CEXBTLMQOUBGAV-UHFFFAOYSA-N 442.700 5.722 30 20 IKED CC(C)(C(=O)OCc1ccc(OCC#N)cc1)c1csc(-c2c(F)cccc2Cl)n1 811361088 JHPJHNAIDFZOTR-UHFFFAOYSA-N 444.915 5.526 30 20 IKED Fc1ccc(C(C[C@@H]2CCCO2)=NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1 811644006 QOXXPQRQSYTLJF-KRWDZBQOSA-N 445.420 5.082 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3nc(Cl)c(C#N)s3)c3cnn(C(C)C)c3n2)c(C)o1 813370380 ZDTNVTKBJIVEFL-UHFFFAOYSA-N 440.916 5.123 30 20 IKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CC2CC(F)(F)C2)c1 813561490 JHXPEJAYCLCYRP-IBGZPJMESA-N 443.519 5.001 30 20 IKED O=c1c2cc(Br)ccc2ncn1N=Cc1c(Cl)ccc(Cl)c1Cl 818271607 WOZXLSAUTYFBCO-UHFFFAOYSA-N 431.504 5.001 30 20 IKED N#C[C@H](C(=O)CCc1nc(-c2ccco2)no1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915103378 UOIMWYDCPJHORN-HHUAMSDTSA-N 448.548 5.063 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c1 915106240 ABHWQBRLYGQDQO-HNNXBMFYSA-N 426.423 5.268 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)ccc1OCc1ccccc1 915107928 YGSHBWBETDDNAJ-GOSISDBHSA-N 447.441 5.509 30 20 IKED C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@H]2c2nc3ccccc3s2)c1=S 915202019 ORQQPNGTMFPDPZ-FQEVSTJZSA-N 447.633 5.595 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CCCC2)cc1 916211735 FYJDFYUGPDPCTA-HXUWFJFHSA-N 443.519 5.176 30 20 IKED Cc1ccc(Sc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3cccc(C)c3)cc2[N+](=O)[O-])cc1 916896201 AFZQKHYXXBARHR-HXUWFJFHSA-N 445.500 5.324 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(NC(=O)c3cccs3)c2)cc1 916913940 INHPOMYNGFTMEK-NRFANRHFSA-N 445.544 5.304 30 20 IKED O=C(/C=C\c1csc(COc2ccc(Cl)cc2)n1)c1sccc1Br 918712772 MYTUSIRNNQXAFS-UTCJRWHESA-N 440.771 6.096 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)c1ccc(COc2ccccc2C#N)o1 919514615 UMZPYVZJQFCJCB-SFHVURJKSA-N 446.503 5.346 30 20 IKED CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2ccccc2OCC#N)cc1 920005139 IBNSOQBZEDXSQJ-UHFFFAOYSA-N 427.504 5.391 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CSCc1ccc(Cl)cc1Cl 920103849 DRZUANVSMSWMTQ-MRXNPFEDSA-N 431.344 5.608 30 20 IKED N#Cc1ccc(CN(Cc2ccccc2F)c2ccc3nc(O)[nH]c3c2)c(OC(F)F)c1 1473229517 ZOZBWAZFZNBARV-UHFFFAOYSA-N 438.409 5.087 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cnc5cccc(Cl)c5c4)CCC3)cc2)C1 1785810185 CGRKLXNDUIKXIK-UHFFFAOYSA-N 445.950 5.602 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3sc(C)nc3C)cc2)CCC1 1787333175 PPKXMJVGZFWTAE-UHFFFAOYSA-N 425.598 5.500 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@]3(F)CCCCC3(F)F)cc2)CCC1 1789166146 IAHRZSLOOOPSCZ-QHCPKHFHSA-N 434.502 5.232 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)cc3C)CCC2)cc1 1790564279 VOZMADZHARIMPN-QGZVFWFLSA-N 441.959 5.197 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC)c(Cl)c3)cc2)CCC1 1792143012 LEKDZULGRDKSPF-UHFFFAOYSA-N 438.955 5.290 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 1810504808 HKCZCVCYXAVMMJ-LOSJGSFVSA-N 447.623 5.517 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@]2(F)CCCC=C2F)CC1 1823755173 MDZWCKULPNOMIN-NBGIEHNGSA-N 436.587 5.344 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)ccc2C)CC1 1823890957 GHIFVNLRCYGSPN-XMMPIXPASA-N 426.576 5.136 30 20 IKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1824248681 DVIOYEFZVXDLLQ-NOZRDPDXSA-N 443.031 5.113 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccccc2Cl)CC1 1826570797 OORNCHSWLVONKW-WMZHIEFXSA-N 431.020 5.105 30 20 IKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 1826692144 FZOOXBHWMBUAMW-DEOSSOPVSA-N 445.563 5.016 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3cc(C)[nH]c23)CC1 1828208851 GQVVTONILVYCPK-UKILVPOCSA-N 447.623 5.478 30 20 IKED Cc1cccc(Cl)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 1830595720 KMBLHCSIJTXZJT-QHCPKHFHSA-N 449.982 5.067 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCC3CCCC3)CC2)c1 1832635156 VLWSXKCWHVFZRY-QFQXNSOFSA-N 449.639 5.517 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)n1 10399658 CTOZPCJTZGKRHF-JTQLQIEISA-N 449.376 5.298 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccccc2Cl)cc1 10826988 CNGRHWJQRNJZOX-UHFFFAOYSA-O 438.016 6.248 30 20 IKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)c2cccs2)nnc1-c1ccccc1 11056327 ACVYMMXHCRINCX-JOCHJYFZSA-N 446.601 5.191 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 23604228 HZDOBHGUJSRGJG-UHFFFAOYSA-O 447.411 5.839 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1nc(-c2ccccc2)oc1C 45766271 JZPJGJNFCGQGII-UHFFFAOYSA-N 436.512 5.438 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(c1ccc2[nH]ccc2c1)[C@H](C)CC(C)C 60346959 KWYWXHQQKOYXCP-QGZVFWFLSA-N 442.567 5.100 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2cccnc2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 64682486 AGZAFMCYNCOTHJ-KRWDZBQOSA-N 439.418 5.992 30 20 IKED C=CCN(Cc1cccs1)C(=O)c1ccccc1SCC(=O)Nc1ccc(C)cc1 216650912 IEKRWDDBIJVGEA-UHFFFAOYSA-N 436.602 5.616 30 20 IKED C[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 301277987 JHKAZYWHOXFENP-CYBMUJFWSA-N 428.389 5.537 30 20 IKED C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 303659858 HCQBHYLPQQOXTF-SECBINFHSA-N 447.301 5.633 30 20 IKED COc1ccccc1-c1nc(C2CCN(c3nc4c(cc3C#N)CCCC4(C)C)CC2)no1 428271224 YPGHPCHNDKEAHP-UHFFFAOYSA-N 443.551 5.010 30 20 IKED COc1cc(Cl)c(Br)cc1C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 429902282 VRQWAOVWJCRGFF-YJBOKZPZSA-N 433.733 5.023 30 20 IKED C[C@H]1C[C@H](NC(=O)c2ccccc2Sc2ccccc2C#N)CCN1Cc1ccccc1 430662629 ILGDULWOWBPVEJ-NZQKXSOJSA-N 441.600 5.492 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1noc(Cc2ccccc2)n1 431209022 CSKZGUMQTXDOQP-KRWDZBQOSA-N 439.475 5.207 30 20 IKED N#CCCC[C@H](NC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)c1ccccc1 431309400 YKCJPDLEHLGJDB-WFXMLNOXSA-N 444.348 5.569 30 20 IKED Cc1c(C#N)cccc1NC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 431702739 OOYZHTQMGRYIMB-UHFFFAOYSA-N 431.323 5.056 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 431722317 LPXNWLMLAPADOV-INIZCTEOSA-N 437.931 5.190 30 20 IKED N#CCCC[C@H](NC(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccccc1 431807773 AFFHXHFAJFVWHN-DEOSSOPVSA-N 444.510 5.312 30 20 IKED COc1cccc(Oc2ccc(CNC(=O)N[C@H](CCCC#N)c3ccccc3)cn2)c1 431826432 WXZCSAMIQCMHBN-HSZRJFAPSA-N 430.508 5.117 30 20 IKED C[C@@]1(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CCCN1C(=O)c1ccccc1 437458126 CLXPMTZZKSXVFG-SANMLTNESA-N 443.478 5.123 30 20 IKED N#Cc1cc(NC(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)ccc1Oc1ccc(C(F)(F)F)cc1 442211232 DIBGKOKHDUYLJI-HZPDHXFCSA-N 445.441 5.260 30 20 IKED N#C[C@H](C(=O)c1ccc(F)c(Br)c1)c1nc(-c2c(F)cccc2F)cs1 442808113 GLLRQGMTURQKFK-SNVBAGLBSA-N 437.240 5.480 30 20 IKED C=CCOCCCC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCCCC1 443861362 KPGKDFBRFREJSQ-UHFFFAOYSA-N 426.582 5.271 30 20 IKED C[C@@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)c1ccc(-c2cccc(C#N)c2)cc1 445155559 CMIKJAVXYYWKQT-GOSISDBHSA-N 443.506 5.711 30 20 IKED N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@H](c2ccccc2)c2cccc3ccccc23)c1 447151506 WXGTVXYDZAOKKJ-XMMPIXPASA-N 439.902 5.209 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[C@@H](COCc3ccccc3)C2)c1 460515960 HRONUJZVNQKFOF-HXUWFJFHSA-N 446.934 5.683 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(CN3CCCC3=O)cc2)cc1 464922027 PFTNMNASAZLABF-UHFFFAOYSA-N 425.488 5.034 30 20 IKED C[C@H](SCCOCC(F)(F)C(F)F)c1nc(-c2cccc(C(F)(F)F)c2)no1 468632425 OXTLPLZUNPXINE-VIFPVBQESA-N 432.361 5.467 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)ccc21 470533272 SMTZHIBDPHGXPT-VWLOTQADSA-N 448.542 5.462 30 20 IKED CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470536454 DZAIXZYOXKNTCS-ZCYQVOJMSA-N 444.579 5.460 30 20 IKED CCC(C)(C)c1ccc(CNC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 470542099 DYCUGJXOVCIOBH-UHFFFAOYSA-N 432.568 5.279 30 20 IKED CSc1nc(O)c(C(=O)Nc2ccc(Cl)cc2-c2ccc(Cl)cc2)cc1C#N 473569896 NEUJHZCVILFALH-UHFFFAOYSA-N 430.316 5.607 30 20 IKED C=CCN(C(=O)c1sc(CC2CC2)nc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 475477988 NJTKHGGDIGQTDV-UHFFFAOYSA-N 440.550 5.269 30 20 IKED C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1)c1ccc(F)c(F)c1 477659879 IVVVCSPNXCHBGW-OAQYLSRUSA-N 441.478 5.067 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ncoc2-c2ccccc2)cc1 478601287 WANJLYOKHXLEFT-UHFFFAOYSA-N 438.487 5.308 30 20 IKED CC(C)(C)C[C@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)C(F)(F)F 479283184 LXPPCQPJCGDBEB-ZDUSSCGKSA-N 425.348 5.127 30 20 IKED Cc1c(C(F)(F)F)nn(C)c1NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 480104045 OUEUSKQURFZZNF-CQSZACIVSA-N 427.430 5.169 30 20 IKED C=CCn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nnc1-c1cccc(OC)c1 481389724 ASRYXPBFJQWAHN-UHFFFAOYSA-N 439.928 5.135 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2cc3ccccc3o2)o1 484725964 KMQCGPIQMXCYGL-AWEZNQCLSA-N 425.535 5.240 30 20 IKED CC(C)(C#N)c1ccccc1CNc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 486428878 DZAKXMZQSAWIKO-UHFFFAOYSA-N 427.426 5.964 30 20 IKED N#CCCC[C@@H](NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1ccccc1 487417641 FQYMPDTUHOMVOR-RPBOFIJWSA-N 425.532 5.099 30 20 IKED C=CC[C@H](C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1)c1ccccc1 489722592 ZVOUPQPBFKBICE-KDOFPFPSSA-N 426.314 5.036 30 20 IKED Cc1ccc(-c2nc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cs2)o1 490649434 OXSOOXDQIMDBKQ-UHFFFAOYSA-N 429.501 5.609 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3C[C@H]4CCC[C@@H](C4)C3)s2)c(C(F)(F)F)c1 496334335 UXAZXIPCYOULGA-GJZGRUSLSA-N 434.487 5.278 30 20 IKED COc1cc(C#N)ccc1CSc1nnc(COc2ccccc2Cl)n1C1CC1 499303319 YBEWFHTWOGJGLZ-UHFFFAOYSA-N 426.929 5.018 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)CCc3cc(Br)cs3)s2)cc1 500040439 RBRXSUMSNONWHD-UHFFFAOYSA-N 432.368 5.001 30 20 IKED COc1ccccc1C[C@@H](C)CC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 500649587 VCGKCSQFYZYRSN-CJFMBICVSA-N 428.532 5.224 30 20 IKED C=CCN(C(=O)[C@H](C)Sc1cc(Cl)ccc1Cl)c1nc(C(=O)OCC)cs1 501948293 MAASAOHWAZUJIF-NSHDSACASA-N 445.393 5.326 30 20 IKED Cc1nc(-c2ccc([C@H](C)NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2)cs1 502398398 GCMPJEDYMJCKBC-KRWDZBQOSA-N 428.561 5.550 30 20 IKED CCOc1cc(Br)ccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 502667622 QDINJYNVLBCTHQ-UHFFFAOYSA-N 426.314 5.041 30 20 IKED Cc1nc(CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)oc1-c1ccc(Cl)cc1 504832375 ZBJKXVQEPCLWON-UHFFFAOYSA-N 432.911 5.174 30 20 IKED N#C[C@@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1cccc(Cl)c1Cl 505320649 MFVRXOBMRLIAOZ-MRXNPFEDSA-N 436.245 5.240 30 20 IKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@H](c1ccccc1)N(C)C 505609968 KYOZYIDDVBOTAC-UQBPGWFLSA-N 429.589 5.272 30 20 IKED N#C[C@H](C(=O)Nc1cccc(Br)c1)c1nc(-c2ccc(Cl)cc2)cs1 505751099 PAGJHDZIAIAQMO-OAHLLOKOSA-N 432.730 5.472 30 20 IKED CN(C(=O)c1cccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1)c1ccccc1 505923733 XSDGCRXFVNNDKB-NRFANRHFSA-N 438.314 5.265 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 508434370 NNGLSZGXRVZLHX-UHFFFAOYSA-N 438.487 5.414 30 20 IKED C=CCn1c([C@H](C)CC)nnc1N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 508818121 QVHSJTYDZLMDRT-WBVHZDCISA-N 426.952 5.065 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(c2ncccc2Cl)CC1 508962808 QZUIALCLDGKMCU-REWPJTCUSA-N 449.986 5.142 30 20 IKED COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)N2CCC(C)(C#N)CC2)s1 509364505 MGFDBMZZDFCHDQ-UHFFFAOYSA-N 446.576 5.257 30 20 IKED N#Cc1ccc(-c2ccccc2)nc1SCc1nc(O)c2c3c(sc2n1)CCCC3 510201802 ZRHPSCCCKNPTPL-UHFFFAOYSA-N 430.558 5.502 30 20 IKED CCCN(CC)C(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 511763929 ARNVKPPVMVEAOH-OAQYLSRUSA-N 447.560 5.181 30 20 IKED C[C@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)C(=O)Nc1ccc(F)cc1F 512766494 HMFKZDJKMOHWKL-LBPRGKRZSA-N 425.460 5.099 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1 513693964 LGCDSCZTHLRJEO-OAQYLSRUSA-N 436.298 5.439 30 20 IKED C=CCN(C(=O)c1cccc(Cl)c1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514301686 FBWSAKBKFOXYPG-UHFFFAOYSA-N 434.304 5.858 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 516626771 ZFVNAZKGELUUTB-UHFFFAOYSA-N 439.924 5.565 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nnc2n1CCCCC2 517597949 DMIFGPPJTLVIQW-OXQOHEQNSA-N 448.958 5.196 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(NC(C)C)CC1 519552454 LBXPXELYTGNZTR-HXUWFJFHSA-N 433.600 5.114 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 521711281 RKGNJYRJQXRIBL-UHFFFAOYSA-N 438.556 5.979 30 20 IKED COc1ccc(F)cc1[C@H](C)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 523819066 GMKPFXQANUWCLR-KRWDZBQOSA-N 435.474 5.318 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3cnn(CC(F)(F)F)c3)cc2Cl)cc1 531673735 QCDQENMHAXCINH-UHFFFAOYSA-N 449.820 5.084 30 20 IKED N#CCc1ccnc(NC(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)c1 531924232 IULWWVQLPOSPLL-UHFFFAOYSA-N 426.245 5.094 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H](C)c1cccc(C(F)(F)F)c1 532489805 MEGTZYIKGBJWJX-HZPDHXFCSA-N 435.515 5.589 30 20 IKED C=C(C)COc1cc(CNc2cccc(CS(=O)(=O)C3CCCCC3)c2)ccc1OC 532743044 ZKBTZGWIKQRGAN-UHFFFAOYSA-N 443.609 5.510 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H]3Cn3cnc4ccccc43)c2)cc1 533765465 CSHHBHFBIJTUHE-NRFANRHFSA-N 437.503 5.397 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccccc2CCC(F)(F)F)cc1 534736569 FRQKYJPNQLLVTE-UHFFFAOYSA-N 438.449 6.079 30 20 IKED C=C(C)[C@H](CC(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)OCC 535907315 XNEVHOPTJYYHAN-FPOVZHCZSA-N 431.458 5.159 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c1 536767982 LDVFZZYIDXZLMR-IBGZPJMESA-N 431.442 5.987 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1 538262823 JUXNPXBVYRUWJR-ISKFKSNPSA-N 448.975 5.764 30 20 IKED CCN(C(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@@H](c1ccc(Cl)cc1)c1cccnc1 542139278 ACOHRDCEYCVCGE-DEOSSOPVSA-N 441.922 5.044 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)CC1 548857495 SDZUFNSCUMRENA-UHFFFAOYSA-N 446.938 5.403 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 554446039 DATJBATVCPQMIH-GUYCJALGSA-N 438.380 5.490 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCc2ccc(Cl)cc2C1 556498494 MSHMLAZSVJPKKW-UHFFFAOYSA-N 431.923 5.689 30 20 IKED C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1cccs1 559165760 YVGAHCMBZAXBEE-KRWDZBQOSA-N 447.539 5.175 30 20 IKED C=CCC[C@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(C(F)(F)F)cc1 560908618 LHRZSOBIGMFHLB-KKSFZXQISA-N 440.531 5.314 30 20 IKED C[C@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 565355917 HIMGFENEMXFMCS-IBGZPJMESA-N 442.538 5.269 30 20 IKED CN(CCOCc1ccc(C#N)cc1)C(=O)c1oc2ccccc2c1COc1ccccc1 567512698 FHGCLHQTOUGHQQ-UHFFFAOYSA-N 440.499 5.172 30 20 IKED C=CCN(C(=O)COCc1cccnc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 579030002 AXJZMLWBDNVHHV-UHFFFAOYSA-N 434.348 5.248 30 20 IKED C[C@@H](NC(=O)C(=O)N[C@H](C)c1cc2ccccc2o1)c1ccc(-c2cccc(C#N)c2)cc1 585692087 KWMBDORUGNGDQD-QZTJIDSGSA-N 437.499 5.026 30 20 IKED N#C[C@H](C(=O)c1oc2ccccc2c1CSc1ncccn1)c1ccc2ccccc2n1 587988749 NJEKLLGQBTUTFL-SFHVURJKSA-N 436.496 5.553 30 20 IKED CC(C)(C)c1cc(NC(=O)c2cscc2Br)n(-c2ccc(C#N)cc2)n1 588990296 PGKQUECZTRQHQV-UHFFFAOYSA-N 429.343 5.118 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 590335407 MMMVKSJIAFBNHV-UHFFFAOYSA-N 449.370 5.213 30 20 IKED CSc1nc(C)c(CCC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c(C)n1 603532287 AHIZCYHRIYQTAD-UHFFFAOYSA-N 448.567 5.301 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c(OC)c1 603690962 VWIYKILPARNYIT-QFIPXVFZSA-N 444.491 5.132 30 20 IKED COc1cccc(CN(C(=O)CSc2cc(C#N)ccn2)C23CC4CC(CC(C4)C2)C3)c1 603727028 ZVQTVFQRZTXDAH-UHFFFAOYSA-N 447.604 5.052 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)s1 603764717 OLIRWDSZMFCLIN-UHFFFAOYSA-N 432.530 5.420 30 20 IKED Cc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cnn1-c1ccccc1F 603814629 VMZVNCYUNFJMBD-UHFFFAOYSA-N 440.478 5.217 30 20 IKED N#C[C@H](Cc1ccccc1)Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 604019136 GUDWETKZYXAJTB-QFIPXVFZSA-N 430.964 5.874 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c1 604135021 MQZDNDYOEREFDO-QFIPXVFZSA-N 435.508 5.751 30 20 IKED C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1cccc(N2CCCC2=O)c1 609208854 NBXCAZXLJAOYRA-SFHVURJKSA-N 440.503 5.360 30 20 IKED CCOc1cc(CNC2CCN(CC#N)CC2)ccc1OCc1ccc(C(C)(C)C)cc1 609335250 ZPRQZGSFNICCTC-UHFFFAOYSA-N 435.612 5.039 30 20 IKED Cc1nc(NC(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)sc1SCC#N 609425980 HEAOBYXVVJGTQD-UHFFFAOYSA-N 432.530 5.642 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3Cc3c(F)cccc3Cl)cc2)nc1 609515766 CDIQQPWCDAPSAZ-GOSISDBHSA-N 435.886 5.385 30 20 IKED N#C[C@H](NC(=O)c1cc(-c2ccccc2)ccc1Cl)c1ccccc1Br 609593641 ZHZASFZKPBUTER-FQEVSTJZSA-N 425.713 5.764 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(COc4ccc(F)cc4)o3)n2)cc1 612894729 MLRLSKJYFOYELC-HXUWFJFHSA-N 432.476 5.920 30 20 IKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1nc2cc(Cl)ccc2s1 613407024 DDMGKIFSFHBQGL-SFHVURJKSA-N 449.894 5.831 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 615402182 CTEPMPGOYFPUMT-LJQANCHMSA-N 447.535 5.170 30 20 IKED CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 618847817 RFILTFBPQGMQRD-SANMLTNESA-N 447.542 5.240 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](c3ccccc3C)C3CCC(C)CC3)CC2)o1 619436154 ZIUMHWUBLRGGIZ-HOOCXSQJSA-N 434.584 5.063 30 20 IKED CC(C)(C)OC(=O)c1ccccc1C1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 619444500 YZCYSZOIRCRUDZ-JOCHJYFZSA-N 432.564 5.435 30 20 IKED O=C(COc1cccc(C(F)(F)F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642158314 SYXLPAAVXSOTRL-QWRGUYRKSA-N 437.302 5.110 30 20 IKED N#C[C@H](C(=O)c1ccc2c(c1)NC(=O)CCS2)c1nc(-c2ccc(Cl)cc2)cs1 642281969 YASQYDYDTSCJBQ-OAHLLOKOSA-N 439.949 5.388 30 20 IKED O=C(Nc1ccc(OC(F)(F)F)cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642393741 PXSBAWPCUOJWAD-RKDXNWHRSA-N 438.290 5.616 30 20 IKED Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 670068319 HXDNEHODGLBXAX-GJZGRUSLSA-N 449.370 5.791 30 20 IKED C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 675179046 ZXLVRJJKZTZTOQ-DCQANWLSSA-N 444.366 5.503 30 20 IKED O=C(NC1CC(F)(c2cccc(Cl)c2)C1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 684629999 NWKDRKUPJGKMSJ-AVHCAHFISA-N 446.794 5.440 30 20 IKED C=CCOc1ccc(/C=C2\SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)cc1Cl 727490289 JTPCGPYOQHSPPU-ODLFYWEKSA-N 444.965 5.269 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2Cl)c1 727999914 WNARCUFTUSHMRE-UHFFFAOYSA-N 442.258 5.605 30 20 IKED O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CC/C1=C\c1csc(-c2ccc3c(c2)OCO3)n1 728439623 BUXOSHLFGYYRHB-FAYHMPLTSA-N 432.457 5.277 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3c(C)cc(C)cc3C)o2)cc1 728442351 QPXRIKIOOVKLEU-IBGZPJMESA-N 434.565 5.398 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1C=O 730953652 NLOHZLBXVQULMS-GOSISDBHSA-N 430.529 5.435 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1sccc1-c1ccccc1 731063321 JRZGTJKJZRNAON-MRXNPFEDSA-N 436.558 5.462 30 20 IKED Cc1cccc(N(CCC#N)C(=O)COC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)c1C 731268171 KJANJPATDYWFPQ-ZEQRLZLVSA-N 426.516 5.050 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](CC(F)(F)F)c1ccc(Br)cc1 731993370 DWFDJUDUHOLZRO-SJKOYZFVSA-N 442.231 5.325 30 20 IKED CC(C)c1ccc2c(Cl)c(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)sc2c1 732707635 BZXKNMDLQDMHEN-CQSZACIVSA-N 431.344 6.293 30 20 IKED CC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1C 733626624 MWSUNUSCZHFZLS-UHFFFAOYSA-N 434.883 5.915 30 20 IKED CC(C)(C)N(N=Cc1ccc(Br)cn1)C(=S)Nc1cccc(Cl)c1 733747242 MGMDZTFAGAQFIA-UHFFFAOYSA-N 425.783 5.329 30 20 IKED N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1ccc(N2CCCCC2)cc1 733902431 FBQGKRLGKSRTTJ-UHFFFAOYSA-N 428.561 5.341 30 20 IKED COC(=O)N(C)c1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 735005627 SIRJVGYXLKYYBU-UHFFFAOYSA-N 435.867 5.459 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 739568778 AQNWOUUBGNWHFA-UHFFFAOYSA-N 449.816 5.758 30 20 IKED Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740437828 SXZBPNFKONHWOB-UHFFFAOYSA-N 432.549 5.511 30 20 IKED Cn1cc(-c2cccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c2)cn1 741537373 UEFMZBUHCHEIGS-HSZRJFAPSA-N 426.907 5.648 30 20 IKED COc1ccc(/C=C2\SC(=S)N(c3ccc(SC(F)F)cc3)C2=O)cc1C#N 743283091 VVYRIOCQAHZSOK-SXGWCWSVSA-N 434.514 5.287 30 20 IKED C[C@@H](OC(=O)c1c[nH]cc1-c1ccc(Cl)s1)C(=O)N(CCC#N)c1ccc(F)cc1 744831872 GJKDQUWDRFPYSH-CYBMUJFWSA-N 445.903 5.028 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cn1nc(C2CC2)n(Cc2ccccc2)c1=S 751931942 LTHSUTFWVDYLQX-GOTSBHOMSA-N 429.593 5.069 30 20 IKED Cc1ccc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c(Br)c1 753689498 ONROJKUXOJFFKK-UHFFFAOYSA-N 438.350 5.387 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC(c2nccc(C)n2)CC1)c1ccc(C(F)(F)F)cc1 754234935 KXYWVBKYXOQRCH-HXUWFJFHSA-N 432.490 5.400 30 20 IKED CN(C(=O)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1)c1ccccc1 757409315 LIUWOJYPYAIFQZ-XMMPIXPASA-N 447.494 5.078 30 20 IKED C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1C#N)C(=O)Nc1cc(Cl)ccc1Cl 758119170 GUFJRLBMGJFXFJ-VIFPVBQESA-N 431.197 5.068 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3Br)cc2)c1 758308616 PAMXAUQUXJJZBH-UHFFFAOYSA-N 438.237 5.274 30 20 IKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1ccccc1SCC=C(C)C 759230764 HUPFSKFNZDOZFK-SFHVURJKSA-N 438.549 5.072 30 20 IKED N#Cc1cc(NC(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)c(Cl)c([N+](=O)[O-])c1 764300573 AFNJOXSULKAFKB-HXUWFJFHSA-N 441.871 5.731 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CCCC[C@H]2c2cc3ccccc3[nH]2)c1=S 764987187 FXKLUDSQDCCVME-QHCPKHFHSA-N 444.608 5.718 30 20 IKED C=C(C)Cn1c(SCC(=O)OCc2csc(C3CCCC3)n2)nnc1-c1ccco1 767492091 CSMJAPMAAGMNMX-UHFFFAOYSA-N 444.582 5.064 30 20 IKED COc1cc2c(cc1NC(=O)[C@H](C#N)c1nccn1Cc1ccccc1)oc1ccccc12 768127985 ZGZUXUFJJOJHRE-HXUWFJFHSA-N 436.471 5.085 30 20 IKED CC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)o2)cc1 771824868 LADTXKJUYANTGM-UHFFFAOYSA-N 440.455 5.057 30 20 IKED Cc1cc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)ccc1NC(=O)OC(C)(C)C 772689021 UZNKNOQFUHPKTQ-KRWDZBQOSA-N 434.323 5.644 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1 773261612 PQZZSGTUHZOAOC-JIMJEQGWSA-N 443.522 5.601 30 20 IKED COc1ccc(NC(=O)Cc2ccccc2CC#N)cc1OCc1ccc2ccccc2n1 776889285 IHSHXPQJZFWOCN-UHFFFAOYSA-N 437.499 5.070 30 20 IKED CC[C@@H](C#N)OC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(OC)c1OC)CC2 781128710 MHCJJIXFIRHJLM-ZWFBASDOSA-N 428.488 5.198 30 20 IKED CCOC(=O)Nc1ccc(NCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)cc1C#N 784316582 YNVHNQXBVDSSAM-UHFFFAOYSA-N 429.402 5.148 30 20 IKED Cc1cc2c(Br)ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)c2o1 785879720 DABJTWHULCOSNC-OAHLLOKOSA-N 431.673 5.118 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)NCc2cccc(Cl)c2)c(C)n1[C@@H](C)c1ccccc1 786541993 XUDQLFNLLKDQGV-SBUREZEXSA-N 433.939 5.007 30 20 IKED C#Cc1cccc(N(C(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)C(C)C)c1 786978807 JHYDLRJLYMVYBP-UHFFFAOYSA-N 442.346 5.789 30 20 IKED CC[C@H](NC(=O)[C@H](C#N)C(=O)c1cc2cc(C)cc(Br)c2o1)c1ccccc1 787034383 LADVSMCUCAXULE-AEFFLSMTSA-N 439.309 5.094 30 20 IKED C[C@@H](NC(=O)NCc1ccc(C#N)cn1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 790511198 WIRPBPVPXQARDO-CYBMUJFWSA-N 430.455 5.261 30 20 IKED O=C(O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1nc(Br)ccc1F 791625863 WFCWOCNSCADSRO-GFCCVEGCSA-N 446.116 5.462 30 20 IKED C[C@@H]1C(=O)N(c2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C(=O)N1Cc1ccccc1 804200874 UFJMBEQFHGLCBH-VGOFRKELSA-N 429.907 5.353 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc3ccccc23)n(Cc2ccccc2)c1C 809104867 WTHJITQRAYYAPR-UHFFFAOYSA-N 443.528 5.035 30 20 IKED COc1cccc2cc(C(=O)/C=C\c3cccc(NC(=O)c4ccccc4Cl)c3)oc12 916129879 ASXNATDHCMSUGG-SEYXRHQNSA-N 431.875 6.243 30 20 IKED CCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)SC1=Nc1ccccc1 916210741 HZVMJVNDXFWXKP-LJQANCHMSA-N 445.972 5.027 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCCCc1nc2ccccc2s1 916903907 UILPTLBGBCJCSD-IBGZPJMESA-N 433.577 5.481 30 20 IKED N#C[C@@H](C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1ccccc1Cl 916907109 ULXPIDQHZXJAEC-LJLILKBBSA-N 427.209 5.373 30 20 IKED N#C[C@@H](C(=O)COc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccccc2)cs1 917026114 WOIDYAGRUKRWNH-QHCPKHFHSA-N 440.524 5.644 30 20 IKED Cc1ccc(-n2c(-c3ccccn3)nn(CN(C)Cc3ccc(C#N)cc3)c2=S)c(C)c1 917428257 FBXBZJDNBKBVCR-UHFFFAOYSA-N 440.576 5.043 30 20 IKED Cc1ccc(/C=C2/CC3(C/C(=C/c4ccc(C)s4)C2=O)C(=O)Nc2ccccc23)s1 917517575 ITKFWOBSNZSZAX-WHYMJUELSA-N 431.582 6.146 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCSc1ccccc1Br 920105407 FYGYZXTZQHCIOC-OAHLLOKOSA-N 441.350 5.313 30 20 IKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1csc(-c2ccccc2F)n1 920791674 BAAVJGYNDJTZIR-AWEZNQCLSA-N 434.279 5.217 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)COc3cccc(Cl)c3)cc2)CCC1 1785993971 YVLIBECVYVHKGS-KRWDZBQOSA-N 426.944 5.065 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(F)c(F)c3C)CCC2)cc1 1786367989 AEYGRKVVXRBGPN-UHFFFAOYSA-N 442.506 5.004 30 20 IKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccccc4)c(F)c3)CCC2)cc1 1787888330 GFZVKGHZVHDKHT-UHFFFAOYSA-N 441.506 5.544 30 20 IKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4ccoc4s3)cc2)CCC1 1788413577 XAVMXZGUXCJMSP-GOSISDBHSA-N 428.579 5.196 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@]3(F)CCCC=C3F)CCC2)cc1 1789455500 WCXWIYWOVLSFBF-NBGIEHNGSA-N 428.523 5.635 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@@H]4C4CC4)CCC3)cc2)c1Cl 1790082696 GLBMJIHAPXZFJT-RTWAWAEBSA-N 433.939 5.005 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)nn3C(F)F)cc2)CCC1 1790135974 VTZCAFMORYWHSE-IBGZPJMESA-N 442.510 5.103 30 20 IKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)nc1 1792122193 DXXVLSJQVGEERN-IBGZPJMESA-N 438.531 5.079 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(C)cccc2C)[C@H]1c1cccnc1 1802501502 YPQPDRHNTHDYAA-VWNXMTODSA-N 433.596 5.010 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C(C)(C)C)oc2C)n[nH]1 1816464500 IAEQRTWTZVFSRE-BEFAXECRSA-N 426.561 5.127 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccnc3ccccc23)n[nH]1 1818443055 MPIVEMGZSMBWEZ-WZONZLPQSA-N 443.551 5.032 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)n[nH]1 1818931942 XQFCVBVJGJYZNL-AJYBTWMASA-N 448.558 5.220 30 20 IKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cc3ccc(F)cc3)cc2)n[nH]1 1821014984 DEXUBGMSDXBEPS-QHCPKHFHSA-N 446.526 5.022 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/Sc3ccc(C)cc3)CC2)C1 1823702834 YSMDSRGKTXTCCA-VXZGYFJVSA-N 438.637 5.187 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(OCC)c2)CC1 1824143172 HHFSUMXEHRUUHD-VWLOTQADSA-N 438.612 5.087 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc(F)c2F)CC1 1824146194 UYDWMFZIFFZBEY-QFIPXVFZSA-N 448.529 5.106 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc3ccccc23)CC1 1828001185 PHWIGXVEMMUJKM-VWLOTQADSA-N 447.623 5.461 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 1831373081 MTUQGAIZVLPIHD-UFONIEFXSA-N 443.031 5.275 30 20 IKED Cc1ccc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)C4(C#N)CCC4)CC3)sc2c1 1832785265 RAKPFJFGGXIFGQ-NRFANRHFSA-N 449.620 5.137 30 20 IKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCCCCC(C)(C)C)CC2)CC1 1838750072 QZNLDSAOZIKTEU-NRFANRHFSA-N 434.665 5.194 30 20 IKED N#Cc1ccccc1N1CCCN(C(=O)c2ccc(CSc3ccccc3)cc2)CC1 60663739 ZOLCBEVUMLWTNE-UHFFFAOYSA-N 427.573 5.203 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1csc(Cc2ccc(F)cc2)n1 78720081 YJODEEOBVJMIAM-HNNXBMFYSA-N 425.554 5.448 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 195662696 IMXHPPOFKIZRSK-KRWDZBQOSA-N 434.521 5.190 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 216013575 ZFCBMQGSURCGEK-UHFFFAOYSA-N 435.552 6.089 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3ccc(OCc4ccccn4)cc3)c2)c1 237854577 MPRBZWQNTGTXPK-UHFFFAOYSA-N 435.527 5.401 30 20 IKED N#CCN(C(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc12)c1ccccc1 255926958 XXNBWPVKNJFAPF-UHFFFAOYSA-N 434.521 5.146 30 20 IKED C=CCOc1cccc(NC(=O)CCc2nc(C)c(-c3ccc(Br)cc3)o2)c1 303295217 LSRYDVYPPROADT-UHFFFAOYSA-N 441.325 5.549 30 20 IKED N#CCCN(Cc1cccnc1)C(=O)c1oc2ccccc2c1CSc1cccs1 304112602 ZECCUSIFIRVNQQ-UHFFFAOYSA-N 433.558 5.738 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 409820742 KUGSVLAUYMHTOC-UHFFFAOYSA-N 434.483 5.471 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(-c4ccc(C)cc4C)[nH]n3)n2)cc1 426526907 WLGYXCOTRLDDEI-IBGZPJMESA-N 428.517 5.316 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 427401117 YKRNJZWGFFMNES-JOCHJYFZSA-N 441.556 5.102 30 20 IKED CCCn1ccnc1CCCN(C)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 428949112 ABVRTQGWVCRWKT-HXUWFJFHSA-N 429.568 5.167 30 20 IKED Cc1cc(COc2ccc(C(=O)Nc3ccc(C#N)cc3Cl)cc2Br)on1 430364636 JNDVHTTXLQKVJH-UHFFFAOYSA-N 446.688 5.102 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1ccccc1Br 432075395 JKYJEHNMLMDCIV-QIIPPGSGSA-N 430.371 5.521 30 20 IKED C=CCC[C@H](NC(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21)c1ccccc1 435757505 ANNZRAVEEJWKKF-RXVVDRJESA-N 425.960 5.139 30 20 IKED C[C@@H]1COCC[C@H]1C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 436030210 BLDZZOPHVRNVJI-BZHVJNSISA-N 437.302 5.116 30 20 IKED C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@@H](c2ccc(F)cc2)O1 437827461 GWSAOTHHNRZPKU-XDHUDOTRSA-N 431.467 5.484 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@@H](Cc4ccccc4)C3)cc2F)c1 437952818 HWZCKTPADVQZOA-NRFANRHFSA-N 429.495 5.373 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(Cl)ccc1N1CCSCC1 438185564 CORLLLUCJHTLJY-PZJWPPBQSA-N 441.000 5.197 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1F 438650141 OWHONAQTUITUQU-VWLOTQADSA-N 438.462 5.796 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c(C)c1 438859536 QFWRTFMURBKBKF-ZDUSSCGKSA-N 435.471 5.353 30 20 IKED CCCc1c(NC(=O)Nc2ccc(OC(C)C)c(OC)c2)cnn1-c1cccc(C#N)c1 439708635 ZKHPDOMMYJFLQV-UHFFFAOYSA-N 433.512 5.136 30 20 IKED CSc1ccccc1[C@H](C)NCCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 440647247 NZNQPYUYTNSUCG-KRWDZBQOSA-N 436.581 5.019 30 20 IKED C=C(C)Cn1c(S[C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)nnc1-c1ccncc1 443521446 NCYIIGTYWXMJMA-HNNXBMFYSA-N 437.956 6.078 30 20 IKED Cn1nc(-c2ccncc2)cc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 463907830 WGQHEZPIITWNEW-UHFFFAOYSA-N 429.867 5.052 30 20 IKED N#C[C@H](C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1cc(C(F)(F)F)ccn1 464410439 WENIXACCCSOOSL-HNNXBMFYSA-N 443.406 5.650 30 20 IKED CCOCCOCc1cccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1C 465345297 PUDOVBBCTCRXBO-UHFFFAOYSA-N 448.494 5.604 30 20 IKED CC[C@@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1nc(C(F)(F)F)cs1 466661503 QPXBITJXYZYQLZ-SSDOTTSWSA-N 443.335 5.139 30 20 IKED CC(C)(NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nc(C(F)(F)F)cs1 467707030 ZFSFXAZDIHQIDP-UHFFFAOYSA-N 446.454 5.883 30 20 IKED O=C(c1cc(OCC(F)(F)F)c2ccccc2n1)N(CCC(F)(F)F)CC(F)(F)F 468532495 XCILNQPARFZYCK-UHFFFAOYSA-N 448.285 5.133 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(Sc2ccccc2Cl)nn1 469181478 XMVYXYBZLDPRLT-CQSZACIVSA-N 440.981 5.785 30 20 IKED N#CCCCn1cc(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)c2ccccc21 469727409 XNSWMPFVJPTINV-UHFFFAOYSA-N 436.515 5.127 30 20 IKED COc1ccc(OC)c([C@H]2C[C@H]2C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 472464775 SRQHAZUBKOQLOC-ILBGXUMGSA-N 444.506 5.047 30 20 IKED COC[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 474503078 WGWWCIFUWQCKFK-DEOSSOPVSA-N 443.547 5.167 30 20 IKED COC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 474503079 WGWWCIFUWQCKFK-XMMPIXPASA-N 443.547 5.167 30 20 IKED C[C@H](C#N)CSc1ccccc1NCC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 476394058 BJEJEEAUCZCNJN-HUUCEWRRSA-N 437.487 5.126 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(-c2cnc3nc(O)n(C)c3c2)c1 476796920 MUMOPMUMASRPJP-UHFFFAOYSA-N 426.520 5.445 30 20 IKED C[C@H]1CCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)[C@H](c2ccco2)C1 480387571 WHNIFABRFCSNJF-YOEHRIQHSA-N 439.566 5.300 30 20 IKED CCc1ccc([C@@H]2COCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)o1 480657157 DBXJTPFYNUEPJG-DEOSSOPVSA-N 445.519 5.207 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3cnc4ccccc4n3)c3cnn(C(C)C)c3n2)cc1 483234848 RZNPGHBDKXMJKO-HXUWFJFHSA-N 446.514 5.421 30 20 IKED N#CC[C@H](CC(=O)N(Cc1cccnc1)c1ccc(Br)cc1)c1ccccc1 483354410 MBWQZRNSTYUMQJ-HXUWFJFHSA-N 434.337 5.465 30 20 IKED Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nn1-c1ccccc1 487095209 RTFHFTXTPUQTPX-QFIPXVFZSA-N 426.907 5.742 30 20 IKED CCN(C(=O)c1coc(-c2ccc(Br)cc2F)n1)[C@H](C)c1ccc(C#N)cc1 487718507 WOYXXBQJUSXNAP-CYBMUJFWSA-N 442.288 5.338 30 20 IKED CN(c1ccccc1)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cn1 496572650 MODPQJUEBXTJRW-OAQYLSRUSA-N 435.512 5.335 30 20 IKED C[C@H](c1ccc2ccccc2c1)N(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C1CC1 498378603 WBACOSBDZVVCDZ-LJQANCHMSA-N 446.572 5.283 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)c1C#N 498513602 AMQVCOJNAWUUDZ-UHFFFAOYSA-N 449.580 5.213 30 20 IKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CC1 501104556 XIGGWNWEOBBCIE-UHFFFAOYSA-N 445.526 5.032 30 20 IKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2cccc(Oc3ccccc3)c2)CC1 501158471 DVUCVUSJCPTQLT-UHFFFAOYSA-N 449.514 5.253 30 20 IKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 504175283 CIHCCZQYCMVWEU-VWLOTQADSA-N 446.982 5.074 30 20 IKED C=CCCc1ccccc1NC(=O)N[C@H](CC)c1ccccc1OCC(=O)N1CCCC1 505041249 ZTSHHTFKQWGWCH-JOCHJYFZSA-N 435.568 5.079 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 511689796 BFIBJYKGTPKAMR-UHFFFAOYSA-N 434.458 5.725 30 20 IKED O=C(Nc1nc(C(F)(F)F)cs1)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 511921286 VCQUBGAXDAPLTP-SECBINFHSA-N 435.296 5.188 30 20 IKED C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 512319457 HZVDHABLXHGAHE-AVRWGWEMSA-N 441.506 5.134 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)cc1 512572378 KURHBSMGHSZZCM-UHFFFAOYSA-N 442.490 5.123 30 20 IKED N#CCCCOc1cccc(CN2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 513128111 NVTHOGUQVWMVRQ-FQEVSTJZSA-N 436.943 5.452 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3cc(F)ccc3Br)c2)c1 513632173 OIDORXWGCWNUAY-UHFFFAOYSA-N 425.301 5.329 30 20 IKED CCCOc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(C)c1 513862102 QYXSQYSCWMBBTP-UHFFFAOYSA-N 431.511 6.029 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1 513944401 NGYLRQSSNRSMAN-UHFFFAOYSA-N 442.494 5.280 30 20 IKED CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cccc(Cl)c1 516305461 MCJOAIXKHWPSRN-OAQYLSRUSA-N 433.895 5.210 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cccc(NC(=O)NC2CC2)c1 517685438 MGWUHUYHKCSKHB-UHFFFAOYSA-N 442.494 5.137 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(Cc2nnc3ccccn23)cc1 518364959 FQPPTJVRCFPSSJ-UHFFFAOYSA-N 429.483 5.111 30 20 IKED CN(CC(=O)Nc1cccc(Cl)c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 519988115 GBYHBXQTFFUINF-UHFFFAOYSA-N 434.883 5.106 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 520194491 WYUDGCYOZUMLRC-HNNXBMFYSA-N 435.018 5.145 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)cc2)nc1 521935858 IQAXSVYXZKEOHC-UHFFFAOYSA-N 427.460 5.429 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C 522466026 WQJZMQKKDPDPSO-XMMPIXPASA-N 428.511 5.200 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCCc3cc(Br)ccc32)c1 523273054 RIMJHVOQBPTMMP-UHFFFAOYSA-N 437.293 5.086 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)c2ccc(F)cc2)cc1 524436810 MEHWCTBVVUZZQS-NRFANRHFSA-N 441.409 5.218 30 20 IKED C[C@@H](Sc1ccc(C#N)cc1F)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 525114960 AEBMTSUQXSNMTE-CYBMUJFWSA-N 425.510 5.130 30 20 IKED CCOC(=O)[C@@H]1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c2ccccc21 527082609 AOTHDTIDLWJLON-HSZRJFAPSA-N 426.472 5.048 30 20 IKED CCN(CCc1nccs1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 532818218 NINRBWLNRXLQAY-UHFFFAOYSA-N 440.956 5.344 30 20 IKED Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 535295874 YAWZFRGEWQXXJW-VQTJNVASSA-N 438.453 5.316 30 20 IKED COc1ccccc1[C@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccccn1 536328709 KFUZHSDKRJIQOD-SBUREZEXSA-N 432.549 5.253 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1)c1ccccn1 537479733 KPSATGQSOXPTAB-QFIPXVFZSA-N 447.473 5.171 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)c3cnn(C(C)C)c3n2)cc1 538546682 XSWHKTUDNCFYOG-LJQANCHMSA-N 434.503 5.354 30 20 IKED COc1ccc2nc(C)cc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2c1 538766908 MPZHUBKZWPJEBZ-MRXNPFEDSA-N 435.455 5.444 30 20 IKED CCNC(=O)c1ccc(C)c(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 541065216 GFRBWSIDYVPZKH-SFHVURJKSA-N 426.520 5.166 30 20 IKED CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)Sc2ccc(C#N)c(C(F)(F)F)c2)c1 543862366 PQIKJOYHSVBDAW-AWEZNQCLSA-N 449.498 5.178 30 20 IKED CCc1cccc2c(C3CCN(C(=O)Nc4cc(C#N)ccc4OCCOC)CC3)c[nH]c12 544303888 WOFXNTUSIURQHZ-UHFFFAOYSA-N 446.551 5.039 30 20 IKED N#CCCn1cc(/C=C\c2nc(-c3ccnc(OCC(F)(F)F)c3)no2)c2ccccc21 545661274 JUJZTFBYIQDBTQ-SREVYHEPSA-N 439.397 5.111 30 20 IKED C=CCn1c(CCc2ccco2)nnc1N1CCC[C@H]1c1ccc(Br)s1 562022320 KIRJSWZILNIJEI-HNNXBMFYSA-N 433.375 5.008 30 20 IKED CCOc1ccc(-c2nc(CC(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)cs2)cc1 563830004 RLBOHAWDPPAFJD-GOSISDBHSA-N 446.359 5.439 30 20 IKED COc1ccc(Cn2cc(NC(=O)c3ccccc3Sc3ccccc3C#N)cn2)cc1 570820154 CNQCQPLZQVZRMS-UHFFFAOYSA-N 440.528 5.215 30 20 IKED N#Cc1c(NC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)n[nH]c1C1CC1 570959921 KKWNJEQKXNJBJU-UHFFFAOYSA-N 432.480 5.589 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3cnc(Cc4ccccc4F)s3)cc2)ccn1 572808340 BWHSQUYTIDUSFO-UHFFFAOYSA-N 430.464 5.184 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3ccc(Cl)cc3Br)cc2)ccn1 574732355 OVYDCVNNPXYYHG-UHFFFAOYSA-N 428.673 5.414 30 20 IKED O=C(Nc1cc(F)ccc1N1CCCCC1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 588950360 NKJAKVHTQBMTPB-BETUJISGSA-N 441.391 5.411 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)sc2ccc(C#N)cc12 590285421 FPPGGVWUKCCJNZ-UHFFFAOYSA-N 427.485 5.225 30 20 IKED CC(C)c1ccccc1N(C(=O)COc1ccccc1C#N)c1nc2ccccc2s1 600849529 PAUYSPQADLVYJQ-UHFFFAOYSA-N 427.529 6.035 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1Cl 603766722 VEFUGHBKIKQVQG-PGRDOPGGSA-N 435.955 5.115 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(OCC(F)(F)F)cc3)c2)c1 603995809 LYAJELTWZYQWCQ-UHFFFAOYSA-N 439.393 5.004 30 20 IKED CCO[C@H](C)c1ncc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1 608552926 VJMHUCOVOQPEMI-KOLCDFICSA-N 425.457 5.359 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cc2F)c1 609104473 YEDSIKRVTMDEPQ-UHFFFAOYSA-N 446.438 5.011 30 20 IKED Cc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 609402496 QRXLOQGUQRXUGL-HNNXBMFYSA-N 449.498 5.178 30 20 IKED Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1ccccc1S[C@H](C)CC#N 609429308 VSNZIWQOQHLHSL-CQSZACIVSA-N 439.400 5.261 30 20 IKED CCc1ccc(-c2nc(CC(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)cs2)cc1 609523267 IBVCELJEXXJSEN-IBGZPJMESA-N 430.360 5.603 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3cccc(CSC4CCCC4)c3)CC2)c1 610144143 VBNQRDJNZHBBDP-UHFFFAOYSA-N 435.593 5.809 30 20 IKED CCOCCOCc1cccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1C 610415810 PRIIYBUUDQFPCN-UHFFFAOYSA-N 446.507 5.251 30 20 IKED C[C@H](NC(=O)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1)c1cccc(C#N)c1 611073316 BKQHCBZYUZJGNB-AZUAARDMSA-N 435.572 5.104 30 20 IKED CCc1c(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cnn1-c1ccc(Br)cc1 613292799 XGSRNCSSSYBMNY-GOSISDBHSA-N 445.320 5.235 30 20 IKED N#C[C@@H](C(=O)c1nccnc1-c1nc2ccccc2s1)c1nc2cc(Cl)ccc2s1 613407423 SJBCQDGCCGLGIR-LBPRGKRZSA-N 447.932 5.506 30 20 IKED N#Cc1ccc(N2CCC[C@@H]2c2nc(Cc3c[nH]c4ccc(Br)cc34)no2)cc1 615131319 JNFISUDLRUXENS-HXUWFJFHSA-N 448.324 5.117 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 615683739 XIULMMHBKRLRTD-HUUCEWRRSA-N 438.412 5.302 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618539990 KCGBVLPVFKXNLP-GJZGRUSLSA-N 446.416 5.743 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 618738019 AZSMCIFECXLHBY-IBGZPJMESA-N 426.303 5.256 30 20 IKED O=C(Nc1cc(F)ccc1Oc1ccccc1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674564517 FPMFITIPWBSLQK-KBPBESRZSA-N 436.327 5.823 30 20 IKED CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 678852844 JSONFSPXOHPLSV-WSGDXGOYSA-N 444.391 5.110 30 20 IKED COc1ccc(C(=O)/C=C/c2cccc(OCc3ccccc3Cl)c2)cc1NC(C)=O 726428702 ONNTZIWWSSMFAX-ZRDIBKRKSA-N 435.907 5.782 30 20 IKED COc1ccc(C)cc1/C(O)=C(/C(=S)Nc1ccc(C#N)c(Cl)c1)[n+]1ccccc1 726570907 NKUOQUMROMOBGR-UHFFFAOYSA-O 436.944 5.140 30 20 IKED O=C(/C(=C/c1ccc(N2CCOCC2)c(F)c1)c1nc2ccccc2s1)c1ccccc1 727264076 LWUVYNWFESHLGX-SILNSSARSA-N 444.531 5.696 30 20 IKED Cc1ccc(-n2c(-c3ccncc3)nn(CN(CCC#N)CC(C)(C)C)c2=S)cc1C 729468782 ZCMMCZHDHTVNCT-UHFFFAOYSA-N 434.613 5.301 30 20 IKED C[C@H](NC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F)c1ccc(C#N)cc1 729572272 GHDPFQFPLKJFIM-ZDUSSCGKSA-N 448.445 5.807 30 20 IKED Cc1cccc(-c2nnc(COC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)o2)c1 730180348 CFZSSBVXRFMPDH-UHFFFAOYSA-N 429.407 5.205 30 20 IKED N#Cc1ccccc1COc1cccc(/C=C(/Cl)c2nc(O)c3ccc(Cl)cc3n2)c1 731318523 JIVPJKBBWAMSEY-SRZZPIQSSA-N 448.309 6.176 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](CC(F)(F)F)c1ccc(Br)cc1 731993368 DWFDJUDUHOLZRO-PXAZEXFGSA-N 442.231 5.325 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)cc1 732417973 MXAANDRHTYCORC-IRLDBZIGSA-N 440.330 5.504 30 20 IKED COc1cccc2cc(C(C)=NNc3cc(C(F)(F)F)nc(-c4ccccn4)n3)oc12 733079912 MIPPWAHROYBCLI-UHFFFAOYSA-N 427.386 5.148 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(Oc3ccccc3OC)cc2)c1 733802231 HXYAVKHCXCVORF-OAQYLSRUSA-N 445.519 5.168 30 20 IKED COc1cc(F)c([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC 734060175 PVFFGKWKIBCZQN-IERDGZPVSA-N 433.483 5.381 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(-c3ccccc3Cl)s2)cs1)C1CC1 734307427 YUZNNLAUJOTDBM-RMKNXTFCSA-N 428.966 5.936 30 20 IKED Cc1ncc2c(n1)CCC[C@@H]2NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 734932803 SDSKDNGCOSJOHH-NRFANRHFSA-N 433.899 5.302 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 735013426 GOEYWYQFDUAUHT-LJQANCHMSA-N 445.906 5.615 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NC[C@@H](O)c3cc(Cl)cc(Cl)c3)c2)cc1 735703748 ZJWIXTXDWCNFIL-OAQYLSRUSA-N 427.287 5.121 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)C(C)(C)Sc2ccc(Br)cc2)c1 736018341 APOFVPRBFUPZEM-KRWDZBQOSA-N 447.398 5.317 30 20 IKED N#Cc1ccc(-c2cccc(CNCc3cc(Br)c4c(c3)OCCO4)c2)s1 740014263 PBNOUYLTKWJVFA-UHFFFAOYSA-N 441.350 5.110 30 20 IKED CN(Cc1ccccc1Br)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740063889 FSKPCNHQGPNUOO-UHFFFAOYSA-N 440.366 5.391 30 20 IKED COCC[C@H](Cc1cccc(Br)c1)C(=O)[C@H](C#N)c1nc2ccccc2s1 741426694 HPYAEWHOTFOFRJ-WBVHZDCISA-N 443.366 5.130 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccnc(Oc3ccccc3Cl)c2)c1 743192390 SGOCOTAXCZNKLE-SFHVURJKSA-N 436.899 5.530 30 20 IKED CCN(C[C@@H](C)C#N)Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccccc2)c1=S 747327643 VRQPQTYJVAWXOZ-KRWDZBQOSA-N 425.989 5.222 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)ccc1OC 747582622 UKFIIBAILSIVGP-LLGFUMIMSA-N 443.975 5.363 30 20 IKED N#CCCCCOC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2 747659680 JAXKSBILUHELBW-JXAWBTAJSA-N 426.472 5.301 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1cccc(Cl)c1C 749103393 XOQUSIZFGMPEGC-UHFFFAOYSA-N 427.770 5.935 30 20 IKED C[C@H](CC(C)(C)c1ccccc1)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 749679932 LIYFBWIUWOLSAG-CJFMBICVSA-N 439.559 5.153 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)CCSc2ccnc3cc(Cl)ccc23)cc1 751826797 KEVGXDYCDAKJSC-LJQANCHMSA-N 437.952 5.280 30 20 IKED COc1ccc(Nc2nn(CN3CCC[C@@H]3[C@H](C#N)c3ccccc3)c(=S)s2)cc1 751935804 XFDWNMMXNMIINP-WOJBJXKFSA-N 437.594 5.156 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 755916587 XAMXBYSKMXAYAN-UHFFFAOYSA-N 447.560 5.493 30 20 IKED C[C@@H](Sc1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc1 761872892 UAMCHXLJXZFQRY-CLOONOSVSA-N 443.572 6.017 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SC[C@@H](O)c1cccc(C(F)(F)F)c1 764680429 BXEUSSHWAHCSHP-LJQANCHMSA-N 449.498 5.196 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)C[C@@H](O)c2ccc(F)cc2)cc1 766009325 UCCXHGWHLALGAG-OPAMFIHVSA-N 449.482 5.132 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)OC[C@H](C#N)Cc4cccs4)cc3)o2)cc1 772741505 CKUSESMJPHUMBY-KRWDZBQOSA-N 429.501 5.313 30 20 IKED Cc1nc(CSc2ccc(C(=O)O[C@H](C#N)Cc3ccc(F)cc3F)cc2)cs1 774343011 WQTJMPMHIBQHOQ-SFHVURJKSA-N 430.501 5.314 30 20 IKED C=C(C)[C@@H](NC(=O)N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)c1ccc(F)c(F)c1 776181344 INUFXULGGWFZED-PGGWPXBNSA-N 449.542 5.154 30 20 IKED CN(C(=O)NCc1ccc(OCC#N)cc1)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 776619824 XUZDMNFKTMKAGA-RTWAWAEBSA-N 431.458 5.085 30 20 IKED Cc1nn(-c2ccccc2)c2ncc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc12 778292791 ACCUOBXVTXHMOT-GOSISDBHSA-N 443.919 5.482 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2cccc3c2CCCN3C(=O)OC(C)(C)C)n1 778663956 RQBLJQIMPLLHJK-KRWDZBQOSA-N 425.554 5.444 30 20 IKED CC[C@H](C#N)SC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccc(Cl)c(OC)c1 780329172 HWVDJKHNUWXFQL-HPKGMJOESA-N 441.940 5.136 30 20 IKED CC[C@H](C#N)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(OC)c1OC)CC2 781128707 MHCJJIXFIRHJLM-HRYDCMBCSA-N 428.488 5.198 30 20 IKED N#C[C@@H]1C(CN[C@H](c2cccc3ccccc23)C(F)(F)F)=CC(=O)n2c1nc1ccccc12 781348612 JYELOSOMIYWGMY-AUSIDOKSSA-N 446.432 5.270 30 20 IKED O=C(/C=C/c1nc(-c2cc(Cl)ccc2Cl)cs1)c1ccc(N2CCNC2=O)cc1 782354717 OYUPLTVZWLFLGQ-BQYQJAHWSA-N 444.343 5.543 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(c2ccccc2Br)CC1 784460299 XJXGSSMBLMNCRG-OAHLLOKOSA-N 428.330 5.151 30 20 IKED C[C@@H](C#N)Oc1ccc(CNc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)cc1 785547647 NVYHBZXGSNZAKH-HNNXBMFYSA-N 449.473 5.633 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=S)Nc3cc(Cl)cc(Cl)c3)ccc21 787196715 JIDZMJYGOHOGFU-UHFFFAOYSA-N 433.364 5.385 30 20 IKED O=C1/C(=C/c2cnc(-c3ccco3)s2)CSC/C1=C\c1cnc(-c2ccco2)s1 788099666 SLULADZYHFICCK-FNCQTZNRSA-N 438.555 5.903 30 20 IKED CC(=O)N(c1nc(C=NNc2cc(Cl)cc(Cl)c2)cs1)c1ccc(F)cc1F 790202616 SMCIVLXQBMHPQS-UHFFFAOYSA-N 441.290 5.859 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(COC(=O)c2ccc(C(C)(C)C#N)cc2)cs1 796041432 SLRGIQYRMOTLFW-UHFFFAOYSA-N 433.533 5.294 30 20 IKED N#CC[C@H](CC(=O)OCc1nc(O)c2c(-c3ccccc3)csc2n1)c1ccccc1 796744508 NTVYLYMKVXBDEB-GOSISDBHSA-N 429.501 5.195 30 20 IKED Cc1ccccc1[C@H](O)C1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1 804514521 KLBQPBUNAFISKJ-AREMUKBSSA-N 442.584 5.604 30 20 IKED C#C[C@H](NC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1ccc(Cl)cc1 810186343 SQTLJRZBHPWCTJ-YUDQIZAISA-N 436.964 5.285 30 20 IKED C[C@@H](NC(=O)c1c(F)cc(C(F)(F)F)cc1F)c1ccc(C(F)(F)F)nc1Cl 817870418 OYYUSLGFIPOQFT-ZCFIWIBFSA-N 432.698 5.542 30 20 IKED COc1cc(C#N)cc(Cl)c1OC(=O)c1cc(-c2ccc(C)cc2)nc2onc(C)c12 836386380 WAAFRDUQXHKMDN-UHFFFAOYSA-N 433.851 5.260 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)cc1 915085474 MMNICQZZIDOVNT-ZHESHMHJSA-N 449.554 5.233 30 20 IKED Cc1nn(CC(C)C)c(C)c1CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915104239 NSELHVHRABRXGD-MRXNPFEDSA-N 434.487 5.203 30 20 IKED N#C[C@H](C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1nc2ccccc2o1 915104797 LPKBBVXTKDKQNK-WIYYLYMNSA-N 443.890 5.219 30 20 IKED O=[N+]([O-])c1cc(C=Nn2c(S)nnc2-c2ccco2)ccc1Oc1ccccc1Cl 916318935 RIWNDFJBRQIGPP-UHFFFAOYSA-N 441.856 5.063 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1F 916720827 QGCTXHLLTPJICN-UHFFFAOYSA-N 433.483 5.143 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 916944799 NELALFBJDBWNHD-MRXNPFEDSA-N 448.306 5.526 30 20 IKED C=CCn1c(SC[C@H](O)c2cccc(C(F)(F)F)c2)nc2sc(C)c(C)c2c1=O 916982126 SZIIIAHPOIJGLQ-HNNXBMFYSA-N 440.512 5.105 30 20 IKED CCOc1cc(C#N)ccc1OC(=O)Cc1csc(-c2cc(Br)cs2)n1 917425082 OPLHQQXNUQURSI-UHFFFAOYSA-N 449.351 5.053 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(-c3ccccc3)s2)cs1 917559758 NKAWAKRNGFNXIY-RAXLEYEMSA-N 444.581 6.761 30 20 IKED COc1ccc(OCc2nc(/C=C\C(=O)c3ccc(F)c(Br)c3)cs2)cc1 920065927 NFOAVKMSQFZAPN-OQFOIZHKSA-N 448.313 5.528 30 20 IKED CCCOc1ccc2c(c1)C(=O)/C(=C\c1csc(N(C(C)=O)c3ccc(C)cc3)n1)CO2 920068752 BFUNCWOSHHKHGM-PDGQHHTCSA-N 448.544 5.584 30 20 IKED N#C[C@H](C(=O)C1(c2cccc(F)c2)CCOCC1)c1nc2cc(C(F)(F)F)ccc2s1 920113159 RNQPHQQUAIYBTR-MRXNPFEDSA-N 448.441 5.379 30 20 IKED COCCCOc1ccccc1N=Cc1cc(Br)cc(Br)c1O 920173943 XMBXRCGQAZBCEB-UHFFFAOYSA-N 443.135 5.083 30 20 IKED CCOc1cccc(C=Nc2ccc(N3C(=O)c4cccc5cccc(c45)C3=O)cc2)c1O 920942583 GUHDWDJJXAOZPM-UHFFFAOYSA-N 436.467 5.495 30 20 IKED Cc1ccccc1CN(Cc1cc(Cl)ccc1OCC#N)c1ccc2nc(O)[nH]c2c1 1473241897 ZNFVJUAKVHQEDF-UHFFFAOYSA-N 432.911 5.340 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)CCC1 1785791950 OTQGVCDCFSDRQC-HSZRJFAPSA-N 447.535 5.040 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnccc3Cl)cc2)CCC1 1789680533 RHCSPRDYTUCBFA-UHFFFAOYSA-N 425.960 5.475 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccsc4)CCC3)cc2)cc1 1790706236 QRCRHKRCPHJNGM-UHFFFAOYSA-N 443.572 5.195 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cccc(OC)c34)CCC2)cc1 1791730484 MAIODFPNYDMNED-UHFFFAOYSA-N 443.547 5.118 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@@H]4C4CC4)CCC3)cc2)c1 1792123192 MTLKAWHYWDFMNR-UOKFIYJESA-N 427.548 5.107 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3c(Cl)cccc3OC)cc2)CCC1 1792145006 ZWKRQFUZEYBIGY-UHFFFAOYSA-N 444.984 5.016 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3cccc(C)c3)CCC2)cc1 1792264244 IZPQSGLRDHDROV-UHFFFAOYSA-N 437.543 5.218 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](c1ccc(Cl)cc1)C(C)C 1793222989 APOSTBAJIHDFFT-HTUFRPJOSA-N 443.031 5.486 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](CCC)n2cccc2)[nH]n1 1814829765 STHGTVDRCGFQJM-FCHUYYIVSA-N 437.588 5.013 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(Cl)s2)n[nH]1 1815727375 FQRDKQANRVJDSI-SFHVURJKSA-N 447.004 5.128 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccnc3ccccc23)[nH]n1 1819305082 CBPGTVJAFMOHMT-WZONZLPQSA-N 443.551 5.032 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)n[nH]1 1820505188 NXJCATZRSWYPFN-FZKQIMNGSA-N 435.355 5.235 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ccoc23)n[nH]1 1821535234 CDZVBDQSMALZFA-RXVVDRJESA-N 432.524 5.230 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3c(Cl)cccc23)n[nH]1 1821542249 ZPLFBHXMWJBKAD-AUUYWEPGSA-N 439.947 5.063 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc3ccccc3c2)[nH]n1 1821919075 PSLTVDUBCNLFSP-JPYJTQIMSA-N 430.552 5.010 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3occc3c2)CC1 1828255620 KYMKUUWMJPDVPF-XMMPIXPASA-N 434.580 5.435 30 20 IKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)cc1Cl 1830011341 JDQKSUXZDDDBAO-DEOSSOPVSA-N 449.982 5.067 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3nc(C)sc23)CC1 1831371627 XIIGRMYNUYHIFC-VGSWGCGISA-N 439.625 5.050 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 1831789486 ZWDZLSMWMOYWDX-DSITVLBTSA-N 436.640 5.402 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(CC)cc2)cc1 10173488 XMVDIYGZHHCBKM-UHFFFAOYSA-O 425.524 5.428 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(N(C)C)cc2)cc1 10173570 OAUOCAMDTAHFBY-UHFFFAOYSA-O 444.624 5.142 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2cccc(Br)c2)n1 18535752 UOYQXWNNMZQNDZ-SNVBAGLBSA-N 444.276 5.162 30 20 IKED O=C(COc1ccc(C2SCCCS2)cc1)Nc1cccc(C#Cc2ccccn2)c1 23881694 HWTKNDTWKWKYFZ-UHFFFAOYSA-N 446.597 5.368 30 20 IKED N#CCC[C@@H](C#N)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CCCC3 24093370 YTKWWMVNNGTJOQ-AWEZNQCLSA-N 438.553 5.001 30 20 IKED C=CCN(CC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1)Cc1ccc(Cl)s1 26813656 CNXVCKBFLANRQU-UHFFFAOYSA-N 425.985 5.187 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)c2cccc3ccccc23)nnc1-c1ccoc1C 27129275 VKODRQZALJXDNQ-INIZCTEOSA-N 432.549 5.155 30 20 IKED COc1ccc(NC(=O)[C@H](Nc2ccc(C(C)(C)C#N)cc2)c2ccccc2)cc1Cl 28373701 NUCPLTMCJWVLQC-HSZRJFAPSA-N 433.939 5.942 30 20 IKED C=CCn1c(SCc2ccc(-n3nc(C)cc3C)cc2)nnc1-c1ccccc1OC 30569981 HWLJFRAIVKSIQV-UHFFFAOYSA-N 431.565 5.235 30 20 IKED COc1c(C)cnc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1C 58643700 DSPKICMOIZZOCM-UHFFFAOYSA-N 430.508 5.343 30 20 IKED CCc1ccc(-c2nc(CC(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)cs2)cc1 60667178 BEXDOKKRQIRQAC-UHFFFAOYSA-N 430.558 5.549 30 20 IKED COc1ccccc1-c1nc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cs1 60767739 XRMQVKOOJSXNNO-ZDUSSCGKSA-N 425.922 5.572 30 20 IKED COc1ccc(/C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1 107603937 HRJLIQNJSLIURR-BENRWUELSA-N 434.488 5.196 30 20 IKED N#CCSCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 116989237 DDAWOUYHSMAQMN-UHFFFAOYSA-N 448.400 5.907 30 20 IKED CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1SC[C@@H](C)C#N 303353447 FTGUXOYSGMLINY-HNNXBMFYSA-N 436.408 6.688 30 20 IKED Cc1cc(F)ccc1-c1ccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1F 303642353 BNLWWIKXYJTWNG-UHFFFAOYSA-N 445.513 5.160 30 20 IKED COc1ccccc1Oc1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1 428282149 CYLDAMISMVIQQK-UHFFFAOYSA-N 438.487 5.517 30 20 IKED CC[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 429361125 CXBDEACFNQPLSD-DEOSSOPVSA-N 443.547 5.137 30 20 IKED N#Cc1ccc(NC(=O)c2ccccc2Sc2ccc(Br)cn2)c(Cl)c1 430367614 TXTJZIQNQDDCEY-UHFFFAOYSA-N 444.741 5.773 30 20 IKED CN(C(=O)c1cccc(SCC#N)c1)[C@@H]1CCSc2ccc(Br)cc21 430716907 TZUQUCOVLVTXGA-QGZVFWFLSA-N 433.396 5.374 30 20 IKED C[C@@H](C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)[C@@H]1OCCc2sccc21 431336457 INVYFYKHEUFHAY-OSPHWJPCSA-N 434.536 5.238 30 20 IKED N#CCCC[C@@H](NC(=O)NCc1cccc(NC(=O)c2ccccc2)c1)c1ccccc1 431816856 ZURRRQQBYUCUJB-XMMPIXPASA-N 426.520 5.173 30 20 IKED C=CCC[C@@H](NC(=O)N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1 435100743 JQQDGMFZDAXTQF-JWQCQUIFSA-N 448.588 5.186 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)cc1F 437461832 WYEOEWXBGADXNQ-UHFFFAOYSA-N 429.451 5.019 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCSC[C@H]2c2ccccc2)cc1F 438659540 CWOLPQUFDPJBIK-NRFANRHFSA-N 433.508 5.812 30 20 IKED CC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1 439525842 ROXKCHFXXVVTGH-UHFFFAOYSA-N 427.504 5.012 30 20 IKED N#Cc1ccc(CSCc2nc(O)c3c(-c4ccco4)csc3n2)c(OC(F)F)c1 439556426 FNKCLGLLWCWPFW-UHFFFAOYSA-N 445.472 5.563 30 20 IKED N#Cc1ccc(Cl)c(NC(=O)C(=O)Nc2cccc(Oc3ccnc4ccccc34)c2)c1 440348001 WXVIOMZGINERGO-UHFFFAOYSA-N 442.862 5.129 30 20 IKED COc1ccccc1[C@H](Nc1c(C#N)cnc2c(Br)cccc12)c1ccccn1 440671713 HQBAWVWOZOTAHL-QHCPKHFHSA-N 445.320 5.474 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccccc1Cn1cncn1)c1ccc(C(F)(F)F)cc1 442202974 BBQKXGNVLNFHEA-IBGZPJMESA-N 429.446 5.174 30 20 IKED CCc1nc(C)c([C@@H](C)N(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)s1 461473939 JLLYTLSEKFJVOQ-MRXNPFEDSA-N 448.621 5.451 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](CC)[C@H](c1ccc(C)cc1)n1cncn1 475577421 DOWUNTVMXAGXIM-NOZRDPDXSA-N 431.584 5.628 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 476371703 YGJRNHNESALJHK-YWZLYKJASA-N 448.419 6.163 30 20 IKED Cc1ccc(C(=O)CCCC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 478606740 XINUWPJJCFFNAZ-UHFFFAOYSA-N 436.562 5.002 30 20 IKED CC(C)CN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@@H]1CCCc2cccnc21 479721654 QDMWMUUIJAUEOG-JOCHJYFZSA-N 445.592 5.568 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc2c1CN(c1nccs1)C2 480909504 PUGIQRSUONPTDO-UHFFFAOYSA-N 430.986 5.598 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCO[C@H](c4ccccc4F)C3)cc2F)c1 481708705 AGYNSCALKZMPMI-DEOSSOPVSA-N 449.457 5.021 30 20 IKED C=CCN(CCc1ccco1)C(=O)N[C@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F 482298809 QOSMYXNSHKHXQY-OAQYLSRUSA-N 446.473 5.126 30 20 IKED COCc1c(Br)cccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 483639291 BHNSWMSRCPJAMK-UHFFFAOYSA-N 437.293 5.512 30 20 IKED CCc1c(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cnn1-c1ccc(Cl)cc1 485312652 RBRHCEUIFDGVEO-OFNKIYASSA-N 433.943 5.392 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCCC(=O)Nc1ccccc1Cl 489617458 MGVVBFGQEKAKTO-UHFFFAOYSA-N 442.972 5.126 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)cc1F 489828572 GZRLWWINMAKABH-NTKDMRAZSA-N 431.467 5.389 30 20 IKED N#C[C@H](C(=O)c1cc2ccccc2n1CC(F)(F)F)c1nc2ccccc2n1C(F)F 489855122 NTXRWAUAVSVTLY-CYBMUJFWSA-N 432.352 5.438 30 20 IKED N#Cc1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccc3ccccc3c2)c(Cl)c1 490464578 PBZQXMLSSMGTAA-DEOSSOPVSA-N 439.902 5.209 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)NCC[C@@H](c3ccccc3)C(F)(F)F)o2)cc1 490859683 DDFITCTVOGNDEO-FQEVSTJZSA-N 428.410 5.196 30 20 IKED N#Cc1ccc(Br)c(CSc2nnc(-c3ccc(OC(F)F)cc3)o2)c1 491953966 HSFOEPOFXGABLM-UHFFFAOYSA-N 438.253 5.264 30 20 IKED COc1ncc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c(C)n1 499627140 RUIAABWNNNLJTI-ZDUSSCGKSA-N 447.301 5.224 30 20 IKED N#Cc1ccc(C2=CCN(CCC(=O)N[C@H](c3ccccc3)c3cccs3)CC2)cc1 502529800 PLXKQASXCXWIHA-AREMUKBSSA-N 427.573 5.005 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)cc1 508155739 ARTANKIDJHXSPI-UHFFFAOYSA-N 439.581 5.108 30 20 IKED C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCC(c2ccnn2CCC)CC1 508748645 SEPCRELZWKWYBN-UHFFFAOYSA-N 436.629 5.055 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2ccco2)Cc2cccs2)cc1 510647872 KOUPWVCBRDRCDJ-UHFFFAOYSA-N 429.501 6.239 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1occc1CSc1ccccc1 511566062 VPZIKHLEGYPFOK-UHFFFAOYSA-N 440.524 6.797 30 20 IKED CC(C)(C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1)c1cc(F)cc(C#N)c1 512961212 HPBWAUULPWTERZ-UHFFFAOYSA-N 435.886 5.519 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 513030097 CQMGDIOTGUPNOG-UHFFFAOYSA-N 439.393 5.494 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Br)cc2Cl)o1 515436257 LMTGIOFEOWCJFZ-UHFFFAOYSA-N 431.673 5.398 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 515791515 GAPWYYMIDXIYLE-LJQANCHMSA-N 449.526 5.267 30 20 IKED C=CCN(C(=O)Nc1ccc(C(C)C)cc1C(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 518752139 JCUYLVDUJCTEFL-LJQANCHMSA-N 432.572 5.690 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cn(-c3ccccc3Cl)nn2)cc1Cl 519921758 YWIQTFRNECNGSW-SFHVURJKSA-N 448.313 5.482 30 20 IKED Cc1cc(-c2noc(CCC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)n2)ccc1F 520534438 FHUSMYCNPHUOAM-UHFFFAOYSA-N 442.450 5.419 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H]2CCCOc3ccccc32)cc1OCC 520956969 UFKAUSNRRFADJT-LJQANCHMSA-N 432.358 5.416 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc(NC(=O)c4ccncc4)c3)cc2)cc1 521950667 BZCNGILBJQQXQL-UHFFFAOYSA-N 448.482 5.445 30 20 IKED Cn1c([C@H](C#N)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)nc2ccccc21 523997591 UGQLAQNDAKYDRE-GOSISDBHSA-N 426.863 5.381 30 20 IKED Cc1nc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)nn1-c1c(Cl)cccc1Cl 524510752 QYCMHTYORAFVKS-UHFFFAOYSA-N 428.323 5.057 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(Br)cc1 531463296 LKRHYQGHJHPKTN-BEFAXECRSA-N 444.398 6.070 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nn1C(F)F 534190599 HOHGBLYEPOWPIQ-LLVKDONJSA-N 427.263 5.507 30 20 IKED CCc1csc(-n2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cn2)n1 534237052 JMUIADGVMIKXKR-HXUWFJFHSA-N 447.951 5.452 30 20 IKED C[C@@H](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nc(-c2ccccc2)no1 534847410 GVWFOIXYMUZMKX-INIZCTEOSA-N 442.450 5.073 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1ccc(F)cc1)C1CCCC1 537108285 MCFNBNXGBASSTJ-BXKMTCNYSA-N 425.573 5.680 30 20 IKED C=CCN(C(=O)c1ccnc(O[C@H](C)CC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 537393097 ZNISMMXXEZLXDS-OAHLLOKOSA-N 438.509 5.123 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 541706638 XZKDFINHLNECML-XUZZJYLKSA-N 431.467 5.531 30 20 IKED Cc1sc2nc([C@H](C)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)nc(N)c2c1C 542945483 RPNZPLBERHDSDM-HOTGVXAUSA-N 427.577 5.841 30 20 IKED C=C(C)Cn1c(SCc2nc(-c3cnc4ccsc4c3)no2)nnc1-c1ccco1 545714489 JXGWQYRIIHPEJK-UHFFFAOYSA-N 436.522 5.066 30 20 IKED CCN(c1ccccc1)c1ccc(CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1 548902179 QPBDOXQYUAVGTK-UHFFFAOYSA-N 439.563 5.007 30 20 IKED C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H](c2ccsc2)C1 549292867 XUCDJENGJFBCAU-HXUWFJFHSA-N 426.611 5.094 30 20 IKED C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc2n[nH]cc2c1 562151998 OKGWYHZLMMYQTO-OAHLLOKOSA-N 429.455 5.035 30 20 IKED CC(C)(C)Cc1nc2cc(NC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)ccc2o1 563771286 QHPDJAWCFDZBOS-UHFFFAOYSA-N 432.524 5.363 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1Cl 568332965 BQWDTANRRUEZBA-YMPZKCBVSA-N 435.955 5.561 30 20 IKED C[C@H](C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1cccc(C(=O)c2ccccc2)c1 576201316 YUPYTVIQJFVFKL-IBGZPJMESA-N 447.494 5.719 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Nc1ccc(Oc2ccnc(C#N)c2)cc1 578182918 CMEADTHARRDMDR-OAHLLOKOSA-N 436.899 5.155 30 20 IKED Cc1ccc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1OCC(F)F 588716877 RGIXDPSQIWAKIX-PJXYFTJBSA-N 448.354 5.670 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)CCc3nc4cc(Cl)ccc4s3)cc2)ccn1 589470622 UYDQJRZVOKUNPH-UHFFFAOYSA-N 434.908 5.580 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)c1nc2cc(F)ccc2s1 592974463 YDRMWTBXMXEFKK-AWEZNQCLSA-N 444.459 6.255 30 20 IKED Cn1cc(-c2nc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cs2)cn1 603784626 BZWBBIOBRTUPNP-GOSISDBHSA-N 433.924 5.105 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(-n4nccc4-c4ccc(F)cc4)cc3)[nH]c12 605363040 DWAKVUOIDBVEBT-OAQYLSRUSA-N 435.462 5.353 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cc1nc(-c2ccsc2)oc1C 608870638 LDSJQYPRYOSEPI-UHFFFAOYSA-N 445.519 5.807 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CSc1nccn1C(C)(C)C 609072292 IFUMKPJSEHIXHV-UHFFFAOYSA-N 434.565 5.128 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)CCS3)cc1Cl 609164585 RJFPIOBPLRQQPP-IBGZPJMESA-N 447.947 5.682 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc(-c3ccco3)nc21 609377558 IBVNGHWOIIQBAE-INIZCTEOSA-N 445.548 5.776 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1ncc(-c2ccccc2)o1 609378544 ODQCRPNLXZBWLK-UHFFFAOYSA-N 445.466 5.937 30 20 IKED CCCOc1ccc([C@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1OC 609398642 HJRARBYWNHHHEU-IRXDYDNUSA-N 427.570 5.618 30 20 IKED CCOC(=O)c1sc(N(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C2CC2)nc1C 609858386 WIXPLOWOOVZQHI-UHFFFAOYSA-N 447.516 5.101 30 20 IKED N#Cc1cccc(-c2nnc(CSc3nc(-c4cccs4)nc4ccccc34)o2)c1 610216848 CFXUNPYIUWSKIF-UHFFFAOYSA-N 427.514 5.572 30 20 IKED CCN(CCC1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1)CC1CC1 611302839 MOZJXEZIOOLUGB-IBGZPJMESA-N 428.646 5.447 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1C(F)F 611769895 BDKJYMWITLXVNG-UHFFFAOYSA-N 446.254 5.039 30 20 IKED CCCOc1ccc(C=NOCc2nnc(-c3c(Cl)cccc3Cl)o2)cc1OC 726594761 PUYJXXVVAZADCB-UHFFFAOYSA-N 436.295 5.392 30 20 IKED C#Cc1cccc(N(Cc2ccco2)C(=O)CCCc2nc(-c3ccc(F)cc3)no2)c1 728182219 CHYGOAGXUUFTCK-UHFFFAOYSA-N 429.451 5.006 30 20 IKED C[C@@H](C#N)Oc1ccc(/C=C(\Cl)c2nc(O)c3cc(-c4ccccc4)sc3n2)cc1 728699218 CTIJDDQDFKBSCI-KVMVOAJRSA-N 433.920 6.092 30 20 IKED N#CCCCCNC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 728852019 HKSYKYWJUXETMF-UHFFFAOYSA-N 440.619 5.379 30 20 IKED N#Cc1c(COC(=O)c2ccsc2NC(=O)c2ccccc2Cl)cn2ccccc12 730366741 GKDZKHIWTXSKEC-UHFFFAOYSA-N 435.892 5.135 30 20 IKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(C3CCC3)C2=O)cc1 730459450 JOGJOACNQPEZMK-QFIPXVFZSA-N 449.576 5.019 30 20 IKED O=C(/C=C\c1ccc(OCc2occc2C(=O)O)cc1)c1cccc(Br)c1 730950255 BRPFOZJIAVSHSC-TWGQIWQCSA-N 427.250 5.215 30 20 IKED CCS(=O)(=O)Nc1ccc(C(=O)/C=C\c2csc(-c3ccc(Cl)cc3)n2)cc1 731565077 ZYXVEHPUMKOUER-QXMHVHEDSA-N 432.954 5.121 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(CSc3ccccc3)cc2)ccc1OC 733229935 JHOAZEBZQZPHHR-QFIPXVFZSA-N 446.572 5.598 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)c1 733844707 AIASFDMLCLWLOI-HSZRJFAPSA-N 443.503 5.046 30 20 IKED N#C[C@H](C(=O)CSCc1cc(-c2cccs2)on1)c1nc(-c2ccncc2)cs1 734084177 XOKQNNJDMAJQGU-OAHLLOKOSA-N 438.559 5.031 30 20 IKED N#Cc1ccc(-c2cccc(CNCc3cnn(-c4ccc(Br)cc4)c3)c2)s1 740013560 FUPXKRDYJVYJNY-UHFFFAOYSA-N 449.377 5.525 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)c1 741188754 VKBHOPGOIPTZIV-JOCHJYFZSA-N 442.519 5.250 30 20 IKED N#C[C@H](NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1)c1cccc(Cl)c1Cl 742651641 QGWAMCPXJMBZOM-AWEZNQCLSA-N 446.212 5.099 30 20 IKED C#CCCCNC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 742786712 MEQZXGHUTBWCOX-UHFFFAOYSA-N 425.604 5.099 30 20 IKED CCOc1cccc(C=Nc2ccc(Oc3ccccc3S(=O)(=O)CC)cc2)c1O 745977406 VAGVWJSCPFCKBD-UHFFFAOYSA-N 425.506 5.127 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 746204186 ITKUFQXCGYAGDA-OALUTQOASA-N 438.547 5.001 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1C 746833177 AVRRXHGXYVJULS-UHFFFAOYSA-N 428.323 5.222 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2cccn2C2CCN(C(=O)OC(C)(C)C)CC2)n1 747197944 PBVBEEJISPBEAB-QGZVFWFLSA-N 442.585 5.130 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1 750999226 YCWBTXFJPVZQFC-TZIWHRDSSA-N 433.533 5.532 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)ccc1OC 751094188 JZFUQZVPYMPACS-JTHBVZDNSA-N 433.552 5.128 30 20 IKED COc1cccc(Cc2cnc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)s2)c1 751995000 MBVXWMFWKPPEEE-FCHUYYIVSA-N 432.549 5.046 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2ccc(OCc3ccccn3)cc2)cc1 752476733 BTIVEHSEMYLGET-UQBPGWFLSA-N 441.531 5.064 30 20 IKED C=CC[C@H](NC(=O)N1CC[C@H](c2ccccc2)[C@H]1c1cccc(OC)c1)c1ccncc1 753191744 RLQGFGLLIJSVGT-UODIDJSMSA-N 427.548 5.648 30 20 IKED N#C[C@H](C(=O)[C@H](OC1CCOCC1)c1ccccc1)c1nc2cc(Cl)ccc2s1 759223453 UVOAHINUDDXKCG-DYESRHJHSA-N 426.925 5.063 30 20 IKED Cn1c(CC(=NOCc2nc(Cl)ccc2Cl)c2ccccc2)nc2ccccc21 764936676 GDHRKCKHRRHUOL-UHFFFAOYSA-N 425.319 5.439 30 20 IKED C=CCn1c(-c2ccccc2C)nn(CN(C)Cc2nc(C(F)(F)F)cs2)c1=S 765058691 WSALWRXUULZDMO-UHFFFAOYSA-N 439.532 5.140 30 20 IKED CC(C)N(C[C@@H](O)COc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 770177979 IYOJMISQMIYGFK-AOYPEHQESA-N 443.547 5.024 30 20 IKED C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 772310435 IGHJKQAOKDESQP-RXVVDRJESA-N 449.551 5.063 30 20 IKED CC(=O)N1C/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)c2ccccc2C1 778518776 BEDMNKDEXWNXPQ-YBEGLDIGSA-N 436.851 5.137 30 20 IKED C[C@H](OC(=O)c1ccc(C#N)c(Cl)c1)C(=O)N1c2ccccc2Sc2ccccc21 778543656 TXDJKAJTFSZJLI-AWEZNQCLSA-N 434.904 5.586 30 20 IKED C#CCOc1ccc(F)cc1NC(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 779613708 RWQKGRBJNCGPOO-FQEVSTJZSA-N 434.471 5.037 30 20 IKED Sc1nnc(CSc2ccccc2)n1N=Cc1csc(-c2ccc(Cl)cc2)n1 782246537 ZKEGCXHHOMGROH-UHFFFAOYSA-N 444.010 5.518 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)CC(C)(C)Cc2ccc(Cl)cc2)ccc1OC 782474238 GTWFEILQKZYVFL-FQEVSTJZSA-N 428.960 5.305 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1=S 784028602 PDBUXKPNCCSHLZ-GOSISDBHSA-N 445.514 5.128 30 20 IKED CN(CCC#N)c1ccc(CNC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1 784612619 PWOVEQUZPPOZFG-UHFFFAOYSA-N 431.411 5.097 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c1C#N 784755192 HSRYWYWZDGOFMM-HNNXBMFYSA-N 431.483 5.201 30 20 IKED Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C\c1ncc(CN(C)C)s1 794709011 WVVIEICLVFHTCQ-HJWRWDBZSA-N 448.411 5.295 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H]2CC(C)(C)c3ccc(Br)cc32)ccc1OC 794810420 LELHCLDTUJNGEE-FXAWDEMLSA-N 443.385 5.651 30 20 IKED COc1cccc2c1CC/C(=C/c1csc(N(C(C)=O)c3ccc(F)cc3F)n1)C2=O 799502394 KWFVEWCRCXCYGW-UVTDQMKNSA-N 440.471 5.327 30 20 IKED C=CCn1c(Sc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1cccnc1 799760261 DARHQCQOSRZUQL-UHFFFAOYSA-N 441.822 5.258 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1sc2cc(F)ccc2c1C 805854522 WTRIHPSSRDLBTF-CQSZACIVSA-N 430.888 5.280 30 20 IKED Cc1csc(SCc2ccc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)cc2)n1 813214011 SCBTYDCDVKHIOT-MRXNPFEDSA-N 433.480 5.648 30 20 IKED N#C[C@H](C(=O)CCN1c2ccccc2Sc2ccccc21)c1cc(C(F)(F)F)ccn1 813217961 KXDJKNZCDCQSAY-INIZCTEOSA-N 439.462 5.970 30 20 IKED Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 821635517 FPWYGMAEOZVAAX-UHFFFAOYSA-N 438.331 5.342 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)cc1 915085263 JOTNVKLEYGWFMZ-SANMLTNESA-N 437.543 6.113 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3nc(NCc4ccco4)ncc3Cl)n2)cc1 916974027 DOYHMUSAJYIIGR-INIZCTEOSA-N 449.923 5.257 30 20 IKED CC(C)c1cccc(N=C2NC(=O)[C@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)S2)c1 917635016 GLXFLOATMDVGTK-KRWDZBQOSA-N 436.364 5.365 30 20 IKED CC(=O)N(c1nc(/C=C2/COc3c(C)cccc3C2=O)cs1)c1ccc(F)cc1F 920066779 KIYRZOLURVBAAB-ZSOIEALJSA-N 426.444 5.073 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(Br)o3)n2)cc1 920143320 OZGKDSWPFJZAEM-VFADXPBXSA-N 429.295 5.064 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3cccc4ccccc34)n2)cc1 920143622 YWRHDIMPZQLJNR-JOCHJYFZSA-N 437.524 5.870 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)cc2)CCC1)C(F)(F)F 1786032610 WMAWXMYKCYDBHJ-WOJBJXKFSA-N 446.444 5.182 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3nn(CC)c4ccccc34)cc2)CCC1 1788368486 OFTJZGABKMUSGY-SFHVURJKSA-N 430.552 5.016 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4cccnc4n3)cc2)CCC1 1789243441 AQRWWVYPMSZSBQ-QFIPXVFZSA-N 440.547 5.146 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(C)=O)cc3)CCC2)cc1 1789625703 PYIWMEQYUDAQLJ-UHFFFAOYSA-N 447.579 5.385 30 20 IKED C[C@@H](Sc1cccs1)C(=O)NC1(c2ccc(NC(=O)C3(C#N)CCC3)cc2)CCC1 1792231047 CUOHLOOJWAPWAN-MRXNPFEDSA-N 439.606 5.057 30 20 IKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)/C=C\c3c[nH]c4ccccc34)C2)CC1 1806876436 ITYDSRWRWIBCGT-SEYXRHQNSA-N 445.607 5.181 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 1811955265 SEZRQTIPYQITFP-RPBOFIJWSA-N 447.623 5.517 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(F)cccc2Cl)[nH]n1 1814829308 DLVBABWOEZPTFZ-LJQANCHMSA-N 444.938 5.277 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(Cl)s2)n[nH]1 1815727374 FQRDKQANRVJDSI-GOSISDBHSA-N 447.004 5.128 30 20 IKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3sccc3s2)CC1 1824959370 XZDWNJHIMXQOJW-QGZVFWFLSA-N 448.679 5.115 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2c[nH]c3cc(C)ccc23)CC1 1831378262 VKUWHLVGHXHPOO-PYEYBSRVSA-N 447.623 5.321 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 1832028652 UAYREGVIWUIXOQ-BIGMCNFVSA-N 440.672 5.406 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)c(OC)c2)CC1 1832585599 UAFOTNFIMGATPG-QFIPXVFZSA-N 444.591 5.060 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cccc3c1oc1ccccc13)C2 1844357131 COZVVGHYMCOYBT-UHFFFAOYSA-N 430.548 5.395 30 20 IKED Cc1ccc(NC(=O)[C@@H](Sc2nc(C)cc(C)c2C#N)c2ccccc2)c([N+](=O)[O-])c1 10266875 CFCDXBDZGJDLFO-NRFANRHFSA-N 432.505 5.259 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(C)c(F)c2)cc1 11083193 XPUMVOYMSFUMIK-UHFFFAOYSA-O 433.572 5.524 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccc(F)cc1 14081660 BAFFLONUMGSHNQ-UHFFFAOYSA-N 437.327 5.308 30 20 IKED N#Cc1c(NC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)sc2c1CCCCC2 28797863 IBSCUPCTTXYYIF-UHFFFAOYSA-N 449.605 5.078 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)C(C)C)nnc1C1CC1 32324831 KQJXWCGLMGRARK-MRXNPFEDSA-N 425.385 5.404 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(C)(C)c2ccc3c(c2)OCCO3)cc1 60351415 IVXBSFRLRXUFCA-UHFFFAOYSA-N 444.487 5.047 30 20 IKED COc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)cc1F 107735106 TXMSHGGGEQOHOP-UHFFFAOYSA-N 447.310 5.310 30 20 IKED CCCN(Cc1ccc(C#N)cc1)Cc1nc2sc(C)c(-c3ccc(C)cc3)c2c(=O)[nH]1 108140086 SQIMCQUTDGEDNA-UHFFFAOYSA-N 442.588 5.552 30 20 IKED C[C@H](Nc1ccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1)c1ccccc1 110894243 OXPLFDRAPINBIR-NRFANRHFSA-N 440.547 5.525 30 20 IKED Cc1nc2c(cnn2C(C)C)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 195556916 OZCDEKMIWGWCOQ-SFHVURJKSA-N 435.940 5.588 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cc(Br)cs3)c2)cc1 195715236 SALMXCZDSCJUHR-UHFFFAOYSA-N 427.323 5.408 30 20 IKED COc1cc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(OC)c1 302753053 HWQIQWWHNDSYSI-LJQANCHMSA-N 426.925 5.290 30 20 IKED CC(=O)N(c1nc(COc2ccc(C#N)c(F)c2)cs1)c1c(C)cc(C)cc1Cl 303392984 YJJWCPKEDHYZGX-UHFFFAOYSA-N 429.904 5.688 30 20 IKED N#CCSc1cccc(C(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)c1 430744701 VMOGNJMUAUOHMV-DEOSSOPVSA-N 441.556 5.532 30 20 IKED N#CCCn1cc(CNCC2(c3ccc(Cl)cc3Cl)CCC2)c(-c2ccncc2)n1 433335085 OCTYRBJRLBFLQX-UHFFFAOYSA-N 440.378 5.377 30 20 IKED N#Cc1cccc(C2(C(=O)NCc3ccc(Oc4ccccc4C(F)(F)F)nc3)CC2)c1 435356454 RJLIBUYKQSUPNC-UHFFFAOYSA-N 437.421 5.112 30 20 IKED COC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 435867084 YRRUCPYVOGOWHY-KRWDZBQOSA-N 430.529 5.644 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(COCc2ccccc2)cc1 438365745 SJIOKUBWXRJIAF-UIOOFZCWSA-N 425.532 5.707 30 20 IKED N#CCC[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F)c1ccccc1 438845424 BHDRSNRQJOAFGO-MRXNPFEDSA-N 428.266 5.439 30 20 IKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)C(=O)Nc1ccc(C#N)cc1Cl 439315576 JPPMERPOMYVETB-MRXNPFEDSA-N 433.895 5.237 30 20 IKED C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 439578571 XSUZCNFTYSNUAK-SFHVURJKSA-N 428.467 5.237 30 20 IKED CCCc1c(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cnn1-c1cccc(C#N)c1 440080701 RCPFUHHLYXLIAC-UHFFFAOYSA-N 436.519 5.012 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(Br)c3C)n2)cc1 442855896 CGPOZEBDBQJPBP-MRXNPFEDSA-N 427.323 5.380 30 20 IKED Cc1cccc(CN(Cc2ccccn2)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 443910091 QHSCXXULZYWKIG-FQEVSTJZSA-N 430.577 6.019 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2cc(Cl)cc(Br)c2)c1C#N 445564735 QPHIWJXNRQNXAC-UHFFFAOYSA-N 447.745 5.134 30 20 IKED C[C@H]1CN(c2cccc3cnccc23)CCN1C(=O)Nc1ccccc1SC[C@H](C)C#N 446159999 CITAQLGHZDQRNI-MOPGFXCFSA-N 445.592 5.229 30 20 IKED CC[C@@H](N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)c1ccc(C#N)cc1 447579942 MQIABNOMNNHPDP-DNQXCXABSA-N 440.515 5.070 30 20 IKED C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H]1c1csc(C)n1 460382540 AMCBQXQVBOTKSL-HXUWFJFHSA-N 425.627 5.561 30 20 IKED C=CCn1c(SCc2nnc(-c3ccccc3)s2)nnc1-c1cccc(Cl)c1 463788760 HHIHIQOIFDBDGH-UHFFFAOYSA-N 425.970 5.595 30 20 IKED COc1cccc([C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2ccccc2Cl)c1 466040326 UXSVJTXGKPOFON-QHCPKHFHSA-N 433.939 6.061 30 20 IKED COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)N(C)Cc2cccc(C#N)c2)c1 466051002 OSWDWBMTOXWLJF-AREMUKBSSA-N 427.548 5.309 30 20 IKED C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)Nc2ncccc2OCCCC#N)C1 466620124 ZFHBYAMUNWKFFL-QAPCUYQASA-N 432.446 5.398 30 20 IKED Cc1c(N[C@H](C)C(C)C)cccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470851614 JIIXBGCJKMQPDB-LJQANCHMSA-N 432.568 5.287 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@@H](c1cccc(Cl)c1)c1ccccn1 473875533 NYBJCHGYHZSNAU-NRFANRHFSA-N 443.856 5.194 30 20 IKED COc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c(OCCOC(C)C)c1 474962929 DKJDTNBGDWECRU-KRWDZBQOSA-N 444.940 5.252 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 476158167 RDJQPSDCJLMSNG-RUZDIDTESA-N 440.543 5.733 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1F)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 476835928 GERFUMVHBJVMOM-UHFFFAOYSA-N 434.311 5.242 30 20 IKED C=CCOc1ccccc1CNC(=O)N(Cc1cc(Br)ccc1F)C1CC1 477576201 RQEJVAKRNYEIMH-UHFFFAOYSA-N 433.321 5.027 30 20 IKED Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cc2)n1 479802744 ZCCZUCPPPFKNQR-LJQANCHMSA-N 440.503 5.024 30 20 IKED C[C@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C[C@@H](c2ccccc2)O1 481569556 KWAPTIHZOOFODE-BVZFJXPGSA-N 445.494 5.270 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc2ncsc2c1 485675692 YRIHEOZVSUICNF-MRXNPFEDSA-N 429.570 5.951 30 20 IKED Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1C(=O)N1CCCCC1 490197383 AIXNJACKBIALQX-UHFFFAOYSA-N 432.568 5.183 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(CCC#N)CC(C)(C)C)c(OC)c1 494412448 JHDLSGXMMUAPPK-UHFFFAOYSA-N 447.579 5.573 30 20 IKED CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 502690934 OHBLYMLZLPLGEL-LJQANCHMSA-N 439.459 5.029 30 20 IKED CC1(C#N)CCN(C(=O)NCc2ccc(Br)cc2Oc2ccccc2)CC1 503918487 CCGHWQNQEOFTIT-UHFFFAOYSA-N 428.330 5.077 30 20 IKED CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 504072762 FJFLRWUNVVMQBA-UHFFFAOYSA-N 439.415 5.162 30 20 IKED N#C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1cccc(Cl)c1Cl 505339243 UJGUYFTZQSSITM-MRXNPFEDSA-N 434.710 5.615 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)N[C@@H](C#N)c3ccc(Cl)cc3)c2)cc1 505828910 YZGXSLJATUHLNS-VWLOTQADSA-N 446.934 5.435 30 20 IKED C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@H](c2ccccc2)C1 508493611 MFMXOKVUCCXVKG-NRFANRHFSA-N 443.576 5.141 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(F)(c2ccccc2)CC1 508914255 RZLFQJSRSGITIM-GOTSBHOMSA-N 432.543 5.175 30 20 IKED C=CCOc1cccc(NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)c1 510043580 OVVHOHQODMIKSP-UHFFFAOYSA-N 428.488 5.841 30 20 IKED O=C(Nc1nc2c(Cl)cccc2n1CC(F)(F)F)c1ccc(F)cc1C(F)(F)F 511553952 SOPMJIYBZUAIJB-UHFFFAOYSA-N 439.718 5.662 30 20 IKED Fc1ccc([C@@H](CC(F)(F)F)NCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc1 511940625 GYRHBJOYKZFYOI-GOSISDBHSA-N 431.355 5.814 30 20 IKED Cc1cc(OC(F)F)c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)s1 512965025 YEXJPCUDTKECBM-SECBINFHSA-N 426.416 5.550 30 20 IKED Cc1ccccc1-n1ncc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c1C(F)(F)F 513145219 YXJGFXJUXHZJHJ-CYBMUJFWSA-N 438.331 5.103 30 20 IKED CCCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1OCC 513653559 GBJAFUMZVGLCTM-OAHLLOKOSA-N 428.941 6.017 30 20 IKED COc1cc(Cl)c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1OC 513852506 IUSBZOFRMXQFSS-UHFFFAOYSA-N 436.895 5.255 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)c2)cc1 517878884 WFIQCOJZBPSSNT-UHFFFAOYSA-N 445.425 5.855 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 518786711 VLAYGLRCVMAIFE-KXBFYZLASA-N 432.014 5.914 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](COc1ccccc1)c1ccccc1 520941006 BHRSKQKYGDDZJU-AUSIDOKSSA-N 431.561 6.023 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nc(C2CC2)nn1-c1ccccc1 521723717 SNMRAKGABYOYNU-MRXNPFEDSA-N 449.605 5.127 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cccc(OCC(F)F)c2)cc1 523262099 BPAVHLYTNWRKIP-UHFFFAOYSA-N 438.499 5.424 30 20 IKED CCOc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1F 524669083 MLCHDAOAGRFVEF-UHFFFAOYSA-N 435.474 5.147 30 20 IKED C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 525416494 LPIOZMUSQNAZIS-NRFANRHFSA-N 440.547 5.479 30 20 IKED N#CCCn1cc(C(=O)CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c2ccccc21 532518063 DHGLXWQFSLAXMT-HSZRJFAPSA-N 442.346 5.118 30 20 IKED C=C(C)[C@H](CC(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F)OCC 534492569 JLPPGUGDEXYLCD-IBGZPJMESA-N 438.421 5.407 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc4ccccc4[nH]3)c3cnn(C(C)C)c3n2)cc1 538546681 XSWHKTUDNCFYOG-IBGZPJMESA-N 434.503 5.354 30 20 IKED CSc1nc(O)c(C(=O)N[C@@H](C)c2ccc(-c3ccc(Cl)cc3)s2)cc1C#N 540022191 WUPSJLWVQVAYDJ-NSHDSACASA-N 429.954 5.254 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 540730262 DQCZTVSQLUHLCR-UHFFFAOYSA-N 429.907 5.424 30 20 IKED CC(C)(c1ccccc1)c1nnc(NCc2cn(CCC#N)nc2-c2ccccc2)s1 540791721 MNJLCOVZYMNPAS-UHFFFAOYSA-N 428.565 5.253 30 20 IKED CC(C)(CCC#N)CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc2ccccc2c1 554792413 NRAFHQWGIGTPDE-JRFVFWCSSA-N 431.580 5.059 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC3(C2)Oc2ccccc2O3)cc1Cl 558192594 LAHLUJXGUGFZAD-HXUWFJFHSA-N 445.906 5.401 30 20 IKED CCO[C@@H](c1ccccc1)c1noc(C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)n1 562899409 SRYLFPIDTLUXBY-NRFANRHFSA-N 436.943 5.279 30 20 IKED N#CC[C@@H](Cc1nc(-c2ccc(-c3csc(-c4ccncc4)n3)cc2)no1)c1ccccc1 565781547 RKMBSIFUXCWFFM-QFIPXVFZSA-N 449.539 6.162 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1 570437145 KKJMNGWNAIBZPV-UHFFFAOYSA-N 436.515 5.368 30 20 IKED CC(C)CN(C(=O)CCc1ccc(C#N)cc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 583709975 CGMLRLGFQGHZQB-UHFFFAOYSA-N 434.521 5.212 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1nc(-c2cccs2)oc1C 603532359 CUPXNNUPHNNDBO-UHFFFAOYSA-N 445.519 5.807 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)o1 603954481 ZFRYVKZZSVNHHB-UHFFFAOYSA-N 435.439 5.791 30 20 IKED CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604457067 OFMDHNKHJNLZTM-HSZRJFAPSA-N 447.922 5.397 30 20 IKED N#CCCN(Cc1ccco1)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12 604538246 QLPQMEWXRZXLSY-UHFFFAOYSA-N 433.458 5.581 30 20 IKED CCCCN1Cc2cccc(N[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)c2C1 608981268 NCQFLVQHNNMGEQ-QGZVFWFLSA-N 436.625 5.443 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 609079245 QVZVBWMHHPFDNU-RUZDIDTESA-N 445.494 5.190 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1ccccc1SCC(F)(F)F)c1ccccc1 609091429 OYLYAZMIWQPNTB-UHFFFAOYSA-N 435.471 5.007 30 20 IKED CCCN(CCC)C(=O)c1cccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c1 609125414 GVBPWYPIYVJGNN-UHFFFAOYSA-N 432.549 5.196 30 20 IKED COc1ccc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC(F)F 609208654 CWSYHWGHDVQQOM-UHFFFAOYSA-N 439.418 5.282 30 20 IKED Cn1ccnc1[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1cccc(F)c1 609208795 GILOVZPBIKIIKX-HSZRJFAPSA-N 441.466 5.134 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4c[nH]c5ncccc45)CC3)cc2)cc1 609845002 VEMOXJFRHAQBAP-UHFFFAOYSA-N 437.503 5.638 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(-c3ccc(Cl)s3)o2)c1C 610167522 GASFXWMCDUCMMB-UHFFFAOYSA-N 432.958 5.107 30 20 IKED CC(=O)Nc1cccc2c1CCN(C(=O)c1ccc(Oc3ccccc3C#N)c(Cl)c1)C2 611183743 RFTYOFBSQJVILE-UHFFFAOYSA-N 445.906 5.161 30 20 IKED N#Cc1ccc(CN[C@H](Cc2ccc(Cl)cc2)c2ccccn2)c(Br)c1 611938333 CWVDADHIWHJSCI-OAQYLSRUSA-N 426.745 5.443 30 20 IKED C[S@](=O)c1cccc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c1 613713535 AJGIWCHTFGQAGF-HKBQPEDESA-N 444.434 5.359 30 20 IKED CC(C)(C#N)c1ccc(CN2CCC(C(=O)Nc3ccccc3Br)CC2)cc1 614173074 KTODFNBMZNLEJZ-UHFFFAOYSA-N 440.385 5.101 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)c1ccc(OC2CCCC2)c(OC)c1 615674918 LFXWYJRWQQPYIQ-SFHVURJKSA-N 426.532 5.615 30 20 IKED CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)c1cn(CCCC#N)c2ccccc12 618201791 GRGJEKLDUGLECM-UHFFFAOYSA-N 444.510 5.444 30 20 IKED N#C[C@@H](C(=O)c1ccc2nc(O)oc2c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 619753862 HXVYHAZBZCZMRC-LBPRGKRZSA-N 430.272 5.454 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 673813972 JQVGVNMWIMTMEM-AWEZNQCLSA-N 435.496 6.207 30 20 IKED O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 678341162 WCJYZZQTKFJEQX-IHRRRGAJSA-N 448.329 5.539 30 20 IKED CC1(C)[C@H](C(F)(F)F)CCN1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 682444866 YEYJLYUSTQWNGS-VPOLOUISSA-N 428.339 5.268 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 726071286 YHEYGJZKFUHOFI-UHFFFAOYSA-N 442.538 5.922 30 20 IKED CCN(C[C@@H](C)C#N)Cn1nc(-c2ccc(Cl)cc2)n(-c2ccc(OC)cc2)c1=S 726963329 BROBECIWDZUKLE-INIZCTEOSA-N 441.988 5.171 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 727223757 NUIIRMDNRQMAJS-UHFFFAOYSA-N 428.989 5.207 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cn1 727338223 LGARGKZJGHOFCY-UHFFFAOYSA-N 444.491 5.132 30 20 IKED CC(C)(C)C1C/C(=C\c2cccc(OCC#N)c2)C(=O)/C(=C/c2cccc(OCC#N)c2)C1 727744980 OAPHEXMMMINTHC-HOFJZWJUSA-N 440.543 5.984 30 20 IKED Cn1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1NC(=O)/C=C\c1ccccc1C#N 727745728 JSYIKQHPOYKSQY-FLIBITNWSA-N 430.817 5.283 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)cc1 729036369 OPKUUILIAUYXFL-AREMUKBSSA-N 436.515 5.289 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccccc3SCc3ccccc3)CC2)c1 729549070 GDSZNEBDIKMLJU-UHFFFAOYSA-N 443.572 5.926 30 20 IKED N#CCOc1ccc(CNCc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)cc1 729685418 SSRIHGWCBQXNEH-UHFFFAOYSA-N 442.950 5.444 30 20 IKED Cc1cccc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c1C 730416311 CKKBLXMMCBKIKE-INIZCTEOSA-N 436.537 5.207 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 731276244 LUXLUAGKMNCRHB-VOQZNFBZSA-N 444.556 5.519 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Cc2csc(-c3ccc(Cl)s3)n2)c1 733770798 HASJFTVTRPYPBZ-OAHLLOKOSA-N 431.970 5.065 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCC(c4cc5ccccc5[nH]4)CC3)c2)c1 734320172 DFUGWHWSLUAVDO-UHFFFAOYSA-N 435.527 5.638 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H](c2ccccc2)C2CCOCC2)c1 734353176 UEHKDWFESJGBEW-SANMLTNESA-N 426.516 5.035 30 20 IKED C=CC[C@H](NC(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12)c1ccncc1 734652097 FIYNXLJFWFFEFY-QPPBQGQZSA-N 444.966 5.965 30 20 IKED C[C@H](SCc1cc(Cl)ccc1OCC#N)C(=O)Nc1ccccc1Br 735319413 ZYHQXIPBXGQFBV-LBPRGKRZSA-N 439.762 5.265 30 20 IKED CN(C)c1cccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1 735567589 SWWJJBQOSZLZFM-HSZRJFAPSA-N 427.508 5.181 30 20 IKED N#C[C@@H](NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1)c1c(Cl)cccc1Cl 742646609 RQONAGXZYCIYBX-CQSZACIVSA-N 446.212 5.099 30 20 IKED CCCCOc1ccc(C=NO[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1OC 744443776 ONMAAJDELLNPAT-INIZCTEOSA-N 427.476 5.483 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C)OC(=O)c1occc1COc1cccc(C#N)c1 744927014 PBESWNBRTKVFMX-KRWDZBQOSA-N 446.503 5.039 30 20 IKED Cc1nn(C(F)F)c(C)c1CC(=O)O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 746437687 NTSPXALDENPYRB-CQSZACIVSA-N 430.295 5.303 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccc2ccccc2c1 753390646 RHQPZWJSANAQRC-AUUYWEPGSA-N 427.529 5.409 30 20 IKED Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)[C@@H](C#N)C(=O)NC2CCCC2)cc1 757873315 ABNZVQAEBJYVGG-OAQYLSRUSA-N 443.572 5.096 30 20 IKED Cc1ccc(-c2nc(/C=C3/COC/C(=C\c4coc(-c5ccc(C)cc5)n4)C3=O)co2)cc1 759611823 HFORKXAMJZEXEX-ZCJKAFFOSA-N 438.483 5.680 30 20 IKED CCS(=O)(=O)c1ccc2oc(/C(Cl)=C/c3ccc(F)c(C#N)c3Cl)nc2c1 761480741 SMJRCIXHTWDTJB-QPEQYQDCSA-N 425.268 5.022 30 20 IKED CC(C)c1ccc(-c2nc(CC(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)cs2)cc1 764301472 BJFHWISOSUKHAM-UHFFFAOYSA-N 440.912 5.548 30 20 IKED CC(C)(C=Nn1cnnc1SCc1ccc(Cl)cc1)[C@H](C[N+](=O)[O-])c1ccccc1 771099184 XFQXRQMXFJQKBC-LJQANCHMSA-N 443.960 5.144 30 20 IKED CN(C(=O)c1ccc(C#N)c(Cl)c1)c1cccc(NC(=O)c2ccc(C#N)c(Cl)c2)c1 777563650 CZKJQIIAVNYYSZ-UHFFFAOYSA-N 449.297 5.266 30 20 IKED Cc1csc([C@H](C#N)C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccc3ccccc3c2)n1 779188397 AUJQVLRZBMQRHG-LGKPFJOYSA-N 443.572 5.255 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cc(C(F)(F)F)cnc3Cl)c2)c1 779600481 NMSFWKFYHWXYOY-UHFFFAOYSA-N 431.801 5.457 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1cccnc1Oc1ccc(Br)cc1 780162727 YJQFRZAAWGLBDP-CQSZACIVSA-N 438.281 5.180 30 20 IKED Cc1nc2c(s1)[C@@H](NC(=O)Nc1ccc(OCc3cccc(C#N)c3)c(F)c1)CCC2 780549368 AOZPNYPSQZJVFA-FQEVSTJZSA-N 436.512 5.240 30 20 IKED COc1ccc([C@@H]2C[C@H]2NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 793374326 NTEVIEJDZAQGNW-UKILVPOCSA-N 427.504 5.018 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CCN(CC(F)(F)F)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 796644970 ZTSPQEVOZWSOCE-MFKMUULPSA-N 448.297 5.177 30 20 IKED O=C(O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1cc(OCC(F)F)ccn1 809326632 SCWRRIYFHSPQSP-AWEZNQCLSA-N 429.263 5.205 30 20 IKED CC(=O)C1=C(c2ccc(C)cc2)N(Cc2cccs2)C(=O)N[C@@H]1c1cccc(C#N)c1 840198236 BKJJJBKEDGIPAU-HSZRJFAPSA-N 427.529 5.195 30 20 IKED CC(C)(C)OC(=O)NC1(c2noc(-c3ccc(Sc4ccccc4C#N)cc3)n2)CC1 904991555 ZLTHYGDHMJPZQL-UHFFFAOYSA-N 434.521 5.273 30 20 IKED C=CCOc1ccccc1C(=O)OCc1csc(N(C(C)=O)c2ccc(C)cc2C)n1 913367756 YLMUIPBHIULKTG-UHFFFAOYSA-N 436.533 5.366 30 20 IKED COc1ccc(CC(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1OC 915102842 ITDKZGPWCXYIDG-HXWOXPGZSA-N 436.577 5.047 30 20 IKED CN(Cc1ccc(Br)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915353860 YLBHXSCWOBPSJQ-JOCHJYFZSA-N 434.337 5.768 30 20 IKED FC(F)Oc1ccc(Cl)cc1C=Nn1c(S)nnc1Cc1cccc2ccccc12 915944208 HNHIJQGBGPJUCE-UHFFFAOYSA-N 444.894 5.448 30 20 IKED Cc1c(-c2ccccc2)oc2c(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)cccc2c1=O 916849122 SCPKUVBQPZCLTJ-QFIPXVFZSA-N 430.463 5.807 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc2c(c1)-c1ccccc1C2 916903598 UVAHEKPPTDUOHV-FQEVSTJZSA-N 430.891 5.189 30 20 IKED CC[C@H](C)c1ccccc1OCC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916908005 KMVBWNBGWJYKCL-UGKGYDQZSA-N 442.515 5.719 30 20 IKED C=CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC 916972282 MJTQYPRIEMRMMO-OEMHODTASA-N 430.529 5.582 30 20 IKED Cc1cc(-n2c(C)cc(C=Nn3c(S)nnc3-c3ccc(Cl)cc3Cl)c2C)no1 917025750 CUFPJKARVAFQDL-UHFFFAOYSA-N 447.351 5.127 30 20 IKED Cc1ccc(Cl)c(O[C@@H](C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 917044321 QZQAUIXEHQAABH-AAEUAGOBSA-N 438.858 5.921 30 20 IKED N#C[C@@H](C(=O)NC1CCCC1)C(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1 919666865 OOLPFCFIJNBGEA-GOSISDBHSA-N 447.387 5.667 30 20 IKED Cc1ccc(Cl)c(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 920805906 HAVCFEKNSHFGKM-STQMWFEESA-N 432.879 5.694 30 20 IKED COc1c(Cl)cc(Cl)cc1C=Nn1c(S)nnc1SCc1ccccc1 921256508 UZMOVELCMROEIL-UHFFFAOYSA-N 425.366 5.057 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5cccs5)on4)CCC3)cc2)C1 1785808547 LTGPNSYULWOHOL-UHFFFAOYSA-N 433.533 5.117 30 20 IKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)cc3)CCC2)cc1 1786374216 KYZBXMYWNQTYBO-INIZCTEOSA-N 446.469 5.044 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)CCc3cc(C)cs3)CCC2)cc1 1786678636 DHNKDAPXNMPOFG-UHFFFAOYSA-N 428.623 5.042 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccoc3C(F)(F)F)cc2)CCC1 1788724843 PAZNPXOMOQOIHD-SFHVURJKSA-N 446.469 5.815 30 20 IKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(F)ccc4[nH]3)cc2)CCC1 1789231312 XKRFTWRZZCFTSB-OAQYLSRUSA-N 439.556 5.009 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCCCCC(=O)OC)CCC2)cc1 1789458202 PHIJNDGVFAGNDX-QFIPXVFZSA-N 440.584 5.012 30 20 IKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5cccc(Cl)c45)CCC3)cc2)CCC1 1792231365 QTZOVYZBLCKBSV-UHFFFAOYSA-N 446.938 5.263 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C(F)(F)F)c1F 1800409799 GLBIFRYGFXOWBM-MUJYYYPQSA-N 440.481 5.089 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3cccnc23)n[nH]1 1818482461 JIBQQYJUEWDROO-KNQAVFIVSA-N 443.551 5.032 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3ccoc3c2)[nH]n1 1819308961 JCBHXGZPWHCPHJ-CTNGQTDRSA-N 432.524 5.230 30 20 IKED CC(C)c1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)cc1 1820548809 HZUOBOXSUXDFRV-QHCPKHFHSA-N 441.535 5.024 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc3ccccc3c2)[nH]n1 1821919078 PSLTVDUBCNLFSP-MBSDFSHPSA-N 430.552 5.010 30 20 IKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)[C@H](C)CC)[nH]n1 1822389950 OHCIFZHEAKSOPW-WPWBMXPQSA-N 434.584 5.035 30 20 IKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)CC1 1828166638 XFCPROHSMHPFEB-SFHVURJKSA-N 431.001 5.364 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc(F)c2)CC1 1830088659 LXKHELJPAMXVDT-QFIPXVFZSA-N 432.555 5.191 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(F)cc2F)CC1 1830511916 QMRWHGGRKVTIAN-QHCPKHFHSA-N 448.529 5.106 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)c(F)c1)=C(/S)Nc1ccc(F)cc1F 11248187 VFLDWAXOWWOHMB-UHFFFAOYSA-O 433.450 5.144 30 20 IKED C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)C(=O)Nc1ccccc1C#N 21459732 VFZXTXDTTOEXQI-MRXNPFEDSA-N 443.507 5.064 30 20 IKED CC(=O)N(c1ccccc1)c1nc(CSc2nc(C)cc(C(F)(F)F)c2C#N)cs1 21515143 NQAULCZDRYFTMV-UHFFFAOYSA-N 448.495 5.714 30 20 IKED Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)cc1 60697371 OPEVWGOJAYKQSO-HSZRJFAPSA-N 428.536 5.668 30 20 IKED CCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1OC 64714394 BJSQEDXLIKHKHA-OAHLLOKOSA-N 442.487 5.766 30 20 IKED COc1ccc(C#N)cc1NC(=O)N[C@H](C)c1ccc(OCc2ccccc2)c(OC)c1 64742439 PEIDIKXFCYWBMZ-QGZVFWFLSA-N 431.492 5.037 30 20 IKED Cc1ccc(-c2noc([C@@H](C)Nc3ccc(OCc4cccc(C#N)c4)cc3)n2)cc1F 97543222 UFAGKZLTLMNNLQ-QGZVFWFLSA-N 428.467 5.808 30 20 IKED C[C@H]1CSc2ccc(Br)cc2[C@H]1NCc1cccc(OCCCC#N)c1 237712057 PXKPYYDKJBLBNB-BTYIYWSLSA-N 431.399 5.704 30 20 IKED COc1ccccc1[C@@H](Nc1c(C#N)cnc2ccc(OC(F)F)cc12)c1ccccn1 301875703 MTVNEZZLYVMZRG-HSZRJFAPSA-N 432.430 5.313 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)CCc1ccc(O)cc1 409473744 BGDUIPPEGKOCLS-OAHLLOKOSA-N 435.337 5.013 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1 409824924 VOZLRVCHXNPQLK-IRXDYDNUSA-N 427.253 5.560 30 20 IKED CC(C)(C(=O)Nc1cccc(OCCCC#N)c1)c1csc(-c2c(F)cccc2F)n1 429825418 GEUDYJONVSBUKS-UHFFFAOYSA-N 441.503 5.687 30 20 IKED CCN(C(=O)c1cccc(SCC#N)c1)[C@@H]1CCSc2ccc(Br)cc21 430719201 ZABJKQZFDGOJNE-GOSISDBHSA-N 447.423 5.764 30 20 IKED Cc1c(C#N)cccc1NC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F 432835636 PRYMDEMNKYSVED-UHFFFAOYSA-N 440.212 5.025 30 20 IKED Cc1c(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cccc1-c1ncco1 432915014 CKMWEOPMXTYOKS-UHFFFAOYSA-N 438.487 5.939 30 20 IKED CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 437239602 XGOSELIEWATHCT-BJKOFHAPSA-N 428.557 5.535 30 20 IKED CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 437481310 HLUCGNPMEGBOBF-UHFFFAOYSA-N 449.457 5.866 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)Nc1cccc(CC(F)(F)F)c1 437742297 FXDMPBITXWPKGV-UHFFFAOYSA-N 438.343 5.852 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1CN(C)Cc1ccco1 438074313 OJPLFYNXUDMEJA-IBGZPJMESA-N 448.592 5.628 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(F)(c2cccc(Cl)c2)CC1 439518685 SMBFZLFIZFELIZ-MRXNPFEDSA-N 431.964 6.227 30 20 IKED Cc1ccnc(Oc2cc(N[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)ccc2C)c1 439613060 UXWMWOMWAWIBSZ-IBGZPJMESA-N 432.499 5.377 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])nc2ccccc21 442038343 ZTTCLEMWYIOWSU-INIZCTEOSA-N 428.473 5.123 30 20 IKED N#CC1CCC(CNC(=O)C(=O)Nc2ccc(Cl)cc2-c2ccccc2Cl)CC1 443336046 PJOOLLHUJCMTBY-UHFFFAOYSA-N 430.335 5.045 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccccc2NC(=O)c2cccs2)c2ccccc21 444075586 KHPQLOVLAJCWJJ-UHFFFAOYSA-N 428.517 5.511 30 20 IKED O=C(Cc1noc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)Nc1ccccc1F 445306066 YRRPGLJXNRIDJP-UHFFFAOYSA-N 433.283 5.095 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)c1C#N 445566530 YQOKEVFLJOEZJX-GFCCVEGCSA-N 431.348 5.515 30 20 IKED C=CCOc1ccc(CNC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1Cl 446838353 HNJNVUIHZZICDC-UHFFFAOYSA-N 425.878 5.719 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N3CCC(C(=O)c4ccc(F)cc4)CC3)c2)cc1 447713785 JHHIGSIRRJKOMN-UHFFFAOYSA-N 427.479 5.176 30 20 IKED CC(C)c1ncc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)s1 448152991 CZUPPPUCDSNXQP-UHFFFAOYSA-N 436.484 5.457 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)N[C@H](c3c(Cl)cccc3Cl)C3CC3)CCO2)c1 462039635 JEPONVGUBIFFTE-CTNGQTDRSA-N 430.335 5.099 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 464864451 MXIDSWJGZQNGPW-UHFFFAOYSA-N 425.488 5.147 30 20 IKED C[C@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)Oc1cccc(F)c1 466162051 ZBUXLMGCNLPQPP-GOSISDBHSA-N 433.483 5.060 30 20 IKED CCN(C(=O)c1sc(-c2ccc(OCC(C)C)c(C#N)c2)nc1C)c1ncccc1C 466504597 IWZNWVGHNRAMIU-UHFFFAOYSA-N 434.565 5.395 30 20 IKED COc1ccccc1COc1cccc(NC(=O)Nc2ncccc2OCCCC#N)c1C 466610817 ZOGZKOHRWOKHFD-UHFFFAOYSA-N 446.507 5.304 30 20 IKED CCCn1c(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc2ccccc21 469072983 XDSXYONCAVEOKY-MRXNPFEDSA-N 430.533 5.130 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@H](Cc3cccnc3)c3ccc(Cl)cc3)ccc21 469251070 OMJVNDLEGHQXEH-XMMPIXPASA-N 444.966 5.714 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@H]3CCC[C@@H]3Cc3ccccc3[N+](=O)[O-])ccc21 469362392 YQKYOTCTEFORQH-GCJKJVERSA-N 432.524 5.001 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(C(=O)C3(c4cccc(C#N)c4)CC3)C2)n1 470430537 ULEVAMQQBXGCLX-IBGZPJMESA-N 443.572 5.128 30 20 IKED CC(C)[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Cl)cc1 470546513 MOKBJAJRSFGCDK-HSZRJFAPSA-N 438.959 5.442 30 20 IKED Cc1nnc(-c2cc(F)ccc2NC(=O)c2ccc(Sc3ccccc3C#N)cc2)o1 471388905 GLQWCGFCBLDZIS-UHFFFAOYSA-N 430.464 5.459 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCCC[C@H]3c3nc4ccccc4o3)o2)cc1 475149956 GMHUOCAUPCVTLL-NRFANRHFSA-N 427.460 5.239 30 20 IKED Cc1sc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1-c1ccc(F)cc1 479309781 PSEPECJSKOAHIF-UHFFFAOYSA-N 433.552 5.151 30 20 IKED C=CCC[C@@H](N[C@@H](C)c1cc(S(N)(=O)=O)c(C)cc1C)c1ccc(C(F)(F)F)cc1 479426536 XJQHXGGOQWLHBS-OXJNMPFZSA-N 440.531 5.328 30 20 IKED Cc1ccc2c(c1C)OC[C@@H]2NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 480154432 QFOLMFNEHCMTPZ-DEOSSOPVSA-N 427.504 5.204 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cc(C)c(C)c3ncccc23)nnc1-c1ccco1 482375928 KYIKRIJSIFFFKO-UHFFFAOYSA-N 433.537 5.010 30 20 IKED CCCCn1ncc(NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1C(C)C 484341010 ICLIIDXGPIHUNX-UHFFFAOYSA-N 425.924 5.161 30 20 IKED CC(=O)c1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)nc1C 486963657 GRCRRSQEYJZZFL-QGZVFWFLSA-N 444.343 5.821 30 20 IKED C[C@H](Sc1nnc(Cc2ccccc2)n1C1CCCCC1)C(=O)Nc1cccc(C#N)c1 489434421 SKBJKDBLTKHSSU-SFHVURJKSA-N 445.592 5.365 30 20 IKED CCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)[C@H](c1ccc(C(C)C)cc1)c1cccnc1 496555850 QXHQSZYWDCQAAB-RXFWQSSRSA-N 427.548 5.482 30 20 IKED COc1ccc([C@H](NCCCC2(C#N)CCOCC2)c2ccccc2)cc1Br 499517407 JIOWVYSBAJMYMP-JOCHJYFZSA-N 443.385 5.237 30 20 IKED N#CCCn1cc(CNCC2(c3ccc(Br)cc3)CCC2)c(-c2ccccc2)n1 500133671 CWQVUNQKRBAIKH-UHFFFAOYSA-N 449.396 5.438 30 20 IKED O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1ccc(Cl)cc1C(F)(F)F 500192217 SLFOYILBTSRVMB-UHFFFAOYSA-N 429.719 6.081 30 20 IKED C=CCN(CC=C)C(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1-c1ccccc1C(C)C 501551112 MUAIFPJZJLAEKW-IBGZPJMESA-N 447.608 5.134 30 20 IKED Cc1cc(C(=O)Cn2cc(C#N)c(=O)c3ccccc32)c(C)n1CCc1ccc(Cl)cc1 502584786 JWMNSEIQZZTSSK-UHFFFAOYSA-N 443.934 5.071 30 20 IKED CCCCOc1c(Cl)cc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1OC 504743436 WITJUYPSJXCYOW-UHFFFAOYSA-N 442.943 5.083 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c2cc(Br)ccc2n1 505322774 LEXXVSRVUNBPNE-OAHLLOKOSA-N 434.215 5.210 30 20 IKED C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC(OC2CCC(C)CC2)CC1 508482259 XLUIBCDSDDWXSH-UHFFFAOYSA-N 431.584 5.243 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](CC(F)(F)F)C1 508954758 BTSNSJNAVPQXLL-GFCCVEGCSA-N 435.277 5.129 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 510886166 ANWCALYFKWLTLA-UHFFFAOYSA-N 433.552 5.282 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 515542475 PDWFWDRYSDRZMF-HNNXBMFYSA-N 433.514 5.515 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1 517462002 XYICAKCESNEFTQ-SBUREZEXSA-N 436.577 6.550 30 20 IKED CN(C)CCOc1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 517820578 KPXIQJOOOOPISF-JOCHJYFZSA-N 433.939 5.188 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 518207659 RVFFCQHAMLEMIV-IBGZPJMESA-N 447.753 5.373 30 20 IKED COc1ccc(C2(NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1 518314303 XNWVHPFORXIWAI-JOCHJYFZSA-N 431.923 5.815 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(F)cc(Br)c3)n2)cc1 518516569 KVXZQNFIJUXFDO-INIZCTEOSA-N 431.286 5.210 30 20 IKED CCn1c([C@H]2CCCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)nc2ccccc21 518755293 DMLKBHMTUVTGSA-LAUBAEHRSA-N 433.581 5.819 30 20 IKED CCCN(C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@@H](C)c1ccccc1OC 519911512 IUEPWLMBMDZPPH-HNNXBMFYSA-N 435.446 5.513 30 20 IKED CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2nc3ccccc3s2)s1 520978012 DLKMAOABNSLTKM-UHFFFAOYSA-N 446.601 5.100 30 20 IKED Cc1csc(-c2cccc(NC(=O)c3ccccc3Sc3ccccc3C#N)c2)n1 522548045 DHCNCTULQVWRJB-UHFFFAOYSA-N 427.554 6.394 30 20 IKED CCCC(=O)Nc1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 522633518 SXUZHSDIVUQHSA-UHFFFAOYSA-N 433.895 5.995 30 20 IKED C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CSc1ccc(C#N)cc1F 525116445 WRQCFGIFIRRWCP-KRWDZBQOSA-N 447.535 5.261 30 20 IKED COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 536810198 HMZIJLKZMQPHMQ-IQGLISFBSA-N 446.572 5.365 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N(c2cccc(F)c2)C2CCOCC2)c1 540721812 TYRGOOOQNDTGLI-UHFFFAOYSA-N 430.479 5.102 30 20 IKED C[C@H](NC(=O)N[C@H](c1ccccc1)c1ccncc1)c1ccc(-c2cccc(C#N)c2)cc1 543018612 XPQBZGJPSZJBOW-CCLHPLFOSA-N 432.527 5.770 30 20 IKED CCN(C(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@H](c1ccc(Cl)cc1)c1ccccn1 543071217 YWLANPOEUPZJLS-XMMPIXPASA-N 441.922 5.044 30 20 IKED Cc1nc(CCC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)oc1-c1ccccc1 543857946 GYGZEFBILOIJEV-LJQANCHMSA-N 435.527 5.999 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 543993119 UKVFHEXLHPQCFY-UHFFFAOYSA-N 441.438 5.021 30 20 IKED COc1ccc(Br)cc1-c1noc(-c2ccc(Oc3ccc(C#N)cn3)cc2)n1 546339854 FLLUZYNUELTZDW-UHFFFAOYSA-N 449.264 5.234 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)cc1Cl 551305887 UUWQNHBPLTZDHH-RDPSFJRHSA-N 432.907 5.512 30 20 IKED CCn1cc(C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(F)(F)F)n1 556576008 LXEFRWSBHULWGM-UHFFFAOYSA-N 447.301 5.232 30 20 IKED Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)c1cc(C#N)ccc1Cl 557499488 QLCZYRGXIYZWHQ-UHFFFAOYSA-N 446.913 6.509 30 20 IKED CC(C)c1c(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cnn1-c1ccc(F)cc1 563756893 UTPVIQGCADPWMD-UHFFFAOYSA-N 441.466 5.446 30 20 IKED COc1c(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)sc(C)c1Br 564550731 ZUKJDHLKYOGGMI-UHFFFAOYSA-N 444.310 5.139 30 20 IKED Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)Cc1c(F)cccc1C#N 578795847 YQJZXUZMSPNWHC-UHFFFAOYSA-N 444.485 5.924 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCn3c(C4CCCC4)nnc3[C@@H]2C)cc1 583520486 SDNWYSQMLVPBNS-SFHVURJKSA-N 441.535 5.125 30 20 IKED COc1cccc(CN(CC(C)C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1 604499766 OIHGNSHQEDLVHT-UHFFFAOYSA-N 430.508 5.444 30 20 IKED CC(=O)Nc1c(C)ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1C 608785304 UHYUXEONVPPSQD-UHFFFAOYSA-N 444.510 5.507 30 20 IKED CN(Cc1ccccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C1CCCCC1 609055325 CYFBILCHYLOIQW-UHFFFAOYSA-N 443.547 5.747 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c1 609082185 CXDBITXURZFAHX-INIZCTEOSA-N 426.250 5.835 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCn2cnc3ccccc32)cc1Cl 609164254 JNUFMKIOTDHTAK-OAQYLSRUSA-N 428.923 5.764 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 609296227 NRHITZWOFSEJTG-UHFFFAOYSA-N 443.478 5.368 30 20 IKED CN(C)CCCOc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 609333476 SFEGKZOWOZKXBW-UHFFFAOYSA-N 445.588 5.433 30 20 IKED Cc1cc(NC(=O)[C@H](C)Nc2ccccc2SC[C@H](C)C#N)ccc1Br 609386955 AGSMBOUSDGJVLI-HIFRSBDPSA-N 432.387 5.448 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)CCCc1cc(-c2ccccc2)no1 609436041 FXSJHTUDTRWSJR-GOSISDBHSA-N 434.565 5.832 30 20 IKED Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 609550996 TUDNNDTXBIDZKD-UHFFFAOYSA-N 439.475 5.027 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3nc(-c4ccccn4)no3)n2)o1 609604426 XEKIXJWKZQNFBM-UHFFFAOYSA-N 443.410 5.278 30 20 IKED CCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)[C@@H](C)c1cccc(O)c1 609845047 XZEDREIBIZLVGV-IBGZPJMESA-N 429.520 5.766 30 20 IKED CC[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1nc(C(F)(F)F)cs1 610407744 VNHFPGKSSQJWNA-HNNXBMFYSA-N 447.442 5.494 30 20 IKED C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 611556585 OCLCVZLBNOEHFB-LPHOPBHVSA-N 431.458 5.526 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H](C(F)(F)F)CC[C@H]1C 611556951 IHMOTVCMDYFIDB-VQIMIIECSA-N 431.458 5.640 30 20 IKED COc1ccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(OC)c1OC 611818204 OBQCASWHFOTDMF-MRXNPFEDSA-N 431.492 5.134 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cnn1-c1ccccc1F 613320399 XQRCMCRAVDNAOB-INIZCTEOSA-N 436.899 5.587 30 20 IKED C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(OC(F)F)c1 618554274 IZUXGYLOKQTORC-ZMLRMANQSA-N 434.327 5.121 30 20 IKED N#C[C@@H](C(=O)c1nn(-c2ccccc2)c2c1CCC2)c1nc(-c2c(F)cccc2F)cs1 620304156 FMFJZXQDLRPDFR-INIZCTEOSA-N 446.482 5.253 30 20 IKED N#Cc1cccc(OC2CCN(Cn3cc(C(F)(F)F)cc(Cl)c3=S)CC2)c1 729467182 RCJJADWTVXFGCN-UHFFFAOYSA-N 427.879 5.262 30 20 IKED Cc1ccc2c(Cl)c(C(=O)OCC(=O)Nc3ccccc3SCC#N)sc2c1 729729331 NNPUQSWTBQXOBX-UHFFFAOYSA-N 430.938 5.274 30 20 IKED CC[C@H](C)Oc1ccccc1/C=C\C(=O)[C@@H](C#N)C(=O)Nc1cc(C)c(Cl)cc1OC 729888004 ADIWUPCBZWFWKW-HOECOULBSA-N 440.927 5.195 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(-c2ccc(OC)cc2F)cc1F 730489521 JESHNUQSKCSKCC-UHFFFAOYSA-N 443.453 5.389 30 20 IKED Cc1c(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)oc2ccc(F)cc12 731072189 ZDAQRQSOXBTDLU-ZDUSSCGKSA-N 426.469 5.070 30 20 IKED COc1ccccc1[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 731109129 NGYWDTJSZRRKPN-XTEPFMGCSA-N 447.538 6.262 30 20 IKED C#CCN(C(=O)Nc1c(C)cc(C)cc1C)[C@@H]1CCOc2ccc(Br)cc21 733615574 SNNQROHXOXXHNZ-LJQANCHMSA-N 427.342 5.365 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccccc2)Cc2ccc(OC)cc2)c1 733851984 OXDWNCWJOXLLDZ-DEOSSOPVSA-N 443.547 5.288 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1cccc(C(F)(F)F)c1 739161065 XEWDCYLWNSAWMG-AUUYWEPGSA-N 439.462 6.071 30 20 IKED Cc1nn(-c2ccc(F)cc2F)c(C)c1/C=C\C(=O)c1cnn(-c2ccc(C#N)cc2)c1C 741853075 XYQQMLSFTHHTJV-LUAWRHEFSA-N 443.457 5.029 30 20 IKED CC1CCC(N(C(=O)Cc2ccc(OCC#N)cc2)c2cccc(N3CCCC3)c2)CC1 741937857 UIITUGFVCOOYMN-UHFFFAOYSA-N 431.580 5.344 30 20 IKED Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1ccc(Oc2cnccn2)cc1 743428057 JGEQDZXFXILOIH-UHFFFAOYSA-N 443.319 5.005 30 20 IKED Cc1nn(C)c(C)c1C[C@H](C)C(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 744036844 JICSFBLXFNMTSE-LHQGKFJISA-N 436.625 5.016 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)Cn1nc(-c2ccncc2)n(-c2ccccc2)c1=S 746034144 XUHBVMLQBLJDHX-UHFFFAOYSA-N 440.576 5.205 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2ccc(C(F)(F)F)cc2)cs1 746577176 SGLJSSRKBGGHGB-UHFFFAOYSA-N 438.862 5.946 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc2ncccc2c1)C(=O)c1ccccc1 747149467 GKPHDWPPCYTPBP-NCELDCMTSA-N 434.539 6.265 30 20 IKED COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)Nc2cccc(OCC#N)c2)c1 752499686 JKMZIQBRBZTBJW-RPBOFIJWSA-N 427.504 5.360 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@H](c1cccc(F)c1)c1cccc(Cl)c1 758072021 PRFKSIFAZMUZSC-DEOSSOPVSA-N 439.918 5.472 30 20 IKED O=C1/C(=C/c2nc(Cl)cs2)CN(C2CCCCC2)C/C1=C\c1nc(Cl)cs1 759077092 PSRREFIOZHYEEC-PWHKKFIBSA-N 440.421 5.591 30 20 IKED N#C[C@@H](C(=O)/C=C\c1ccc2ccc(Cl)cc2n1)C(=O)Nc1cccc2ccccc12 759214641 ZXIAMPXEXWTFFK-SQZREULQSA-N 425.875 5.402 30 20 IKED C[C@H](ON=Cc1ccccc1Br)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 760416637 KOHFJBAJARMFCB-JTQLQIEISA-N 441.112 5.918 30 20 IKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@H]3CCC(F)(F)C3)C2=O)cc1 763209327 CPKSQHBFFGJXLH-RBUKOAKNSA-N 443.519 5.143 30 20 IKED CSc1ccc(C(C)=NN=c2cc(C(F)(F)F)[nH]c(-c3ccncc3)n2)c(Cl)c1 763363488 MMZZCHDAXAUEOK-UHFFFAOYSA-N 437.878 5.191 30 20 IKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)OCC(C)(C)CC#N 764842781 BTRHSRFWMFWIGT-AWEZNQCLSA-N 441.578 5.169 30 20 IKED C[C@H](OC(=O)/C(=C\c1ccc(F)cc1)c1cccs1)C(=O)N(CCC#N)c1ccccc1 772121477 IBYRCXPGINBNNS-LSOGNMMWSA-N 448.519 5.306 30 20 IKED COc1cc(NCc2ccc(Cl)cc2C#N)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC 774280730 KUICVYDYZDWHPD-HOTGVXAUSA-N 441.959 5.244 30 20 IKED Cc1sc2nc([C@@H](C)OC(=O)c3ccccc3Oc3ccccc3C#N)nc(O)c2c1C 778177782 LHXXSSQCDKDQJE-CQSZACIVSA-N 445.500 5.596 30 20 IKED Cc1ccccc1-c1cc(C(=O)Nc2ccccc2O[C@H](C)C#N)c2cnn(C(C)C)c2n1 780158522 LTPRGNZIRDFUOM-GOSISDBHSA-N 439.519 5.531 30 20 IKED CC[C@@H](C#N)Sc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1 780328057 CLMRDGRNFFOFIT-INIZCTEOSA-N 437.619 5.623 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnc3ncc(Br)cc3c2)cc1 780347240 ZJRBBLXLJIURGG-NRFANRHFSA-N 443.304 5.300 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)c1cccc(C(F)F)c1 780387366 MGJWVLPCJYOKFJ-UHFFFAOYSA-N 428.460 5.184 30 20 IKED Cc1cc(CN(C)C(=O)Nc2ccccc2O[C@H](C)C#N)cc(C)c1OCC(F)(F)F 780675294 CCLOTBFIWOKXIF-MRXNPFEDSA-N 435.446 5.199 30 20 IKED O=C(/C=C/c1ccc(OCc2occc2C(=O)O)cc1)c1ccc([N+](=O)[O-])cc1Cl 782189248 PGIBOBQTQNQYQZ-FPYGCLRLSA-N 427.796 5.015 30 20 IKED FC(F)(F)Oc1cccc(NC(=S)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 783728493 KZFQYEWJNZHYBC-DTORHVGOSA-N 440.331 5.345 30 20 IKED C#CCOc1ccc(F)cc1NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 787052809 NPNWUEOPOGUVHB-UHFFFAOYSA-N 448.281 5.156 30 20 IKED O=C(C[C@H]1SC(=Nc2ccsc2)N(Cc2ccsc2)C1=O)Nc1ccc(F)cc1 790743769 WYEJXOOTFPLWCF-QGZVFWFLSA-N 445.566 5.109 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 796631289 YQEBJIUCSJQVEL-LJQANCHMSA-N 431.492 5.337 30 20 IKED C=CCc1cc(CNCc2cccc3c2CCCN3C(=O)OC(C)(C)C)cc(OC)c1O 808431972 BWSQPTSPEUZVAN-UHFFFAOYSA-N 438.568 5.107 30 20 IKED Cc1ccc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1NC(=O)OC(C)(C)C 810821047 BTKJKNVSTVYREA-UHFFFAOYSA-N 444.491 5.653 30 20 IKED CC(C)(C)OC(=O)N1CCc2cc(NC(=O)N[C@@H](CCCC#N)c3ccccc3)ccc21 814630622 VHVDGNZCPIKPAP-NRFANRHFSA-N 434.540 5.541 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)/C=C\c2ccc(Cl)s2)n(C2CCCC2)c1C 829100642 WETRLZANJIPBGK-NTMALXAHSA-N 431.945 5.002 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc1 915353512 OCVVKXVUXIRNCW-LADGPHEKSA-N 431.561 5.617 30 20 IKED COc1cccc(NC(=O)/C(=C\c2csc(-c3ccccn3)n2)C(=O)c2ccccc2)c1 915984442 LAGKUQGXMTXRGY-QNGOZBTKSA-N 441.512 5.119 30 20 IKED Cc1cccc2cc(C=Nn3cnnc3SCc3ccc(Cl)cc3)c(Cl)nc12 916546038 CBQUOGBJEWATJM-UHFFFAOYSA-N 428.348 5.616 30 20 IKED N#C[C@@H](C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)c1nc2ccccc2n1C(F)F 917041802 WWNBGGYTCZJYGJ-UJZCVKTISA-N 439.771 5.993 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)n2)cc1 920138759 IQWAHDRNSZITQR-KSSFIOAISA-N 426.925 5.424 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1)C(F)(F)F 1791305765 TXSOMLHOBGXLCW-HNNXBMFYSA-N 441.453 5.180 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)cc3Cl)CCC2)cc1 1791730282 XRBLDGHHSKCGTF-UHFFFAOYSA-N 438.955 5.290 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)cc(C)c2)[C@H]1c1cccnc1 1811878800 SSKMBSOVEZQTFQ-LADGPHEKSA-N 433.596 5.010 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)[nH]n1 1814443000 GNQQZCRXSLTCDY-NRFANRHFSA-N 433.556 5.189 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)n[nH]1 1820505190 NXJCATZRSWYPFN-UGSOOPFHSA-N 435.355 5.235 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)C1 1823698666 NVZQOKAJJCOOEF-QHCPKHFHSA-N 439.987 5.021 30 20 IKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1832633681 MMILRDHERMKXES-RLWLMLJZSA-N 443.591 5.169 30 20 IKED C[C@H](C#N)Sc1nc2ccccc2c(=O)n1-c1cc(C(F)(F)F)ccc1C(F)(F)F 8750879 NTJUQFCESWXGRE-SNVBAGLBSA-N 443.372 5.427 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccc(Cl)cc1 21608777 XMKPLDCVTNZRJN-UHFFFAOYSA-N 444.347 5.040 30 20 IKED C=C(C)CN/C(S)=C(/C(=O)c1ccc(Oc2ccccc2)cc1)[n+]1ccc(CCC)cc1 24566691 RFXVBAJNZFWEPT-UHFFFAOYSA-O 445.608 5.823 30 20 IKED CCN(CC)C(=O)c1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 25712180 SYMGASIQUCZFLV-UHFFFAOYSA-N 429.545 5.444 30 20 IKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)C2CCCCC2)ccc1Cl 26954730 RIYZYYQDXQNRGN-UHFFFAOYSA-N 447.000 5.126 30 20 IKED C=CCn1c(SCc2csc(-c3ccc(OC)cc3)n2)nnc1-c1ccc(F)cc1 29845725 RSKPIXONAJTFBW-UHFFFAOYSA-N 438.553 5.695 30 20 IKED N#Cc1cccc(CNC(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)c1 62452275 BPYWJQKFRRXKBH-UHFFFAOYSA-N 444.922 5.013 30 20 IKED C[C@H](c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1)N1CCOCC1 78603796 LRZXWAQFVPDFIC-LJQANCHMSA-N 443.572 5.355 30 20 IKED CC(C)n1c([C@@H]2CCCN(C(=O)c3ccccc3-c3ccccc3C#N)C2)nc2ccccc21 303572932 PFKXLVLKUNDYRI-JOCHJYFZSA-N 448.570 6.176 30 20 IKED Cn1c(C(F)F)nc2cc(C(=O)N[C@H](c3ccccc3OC(F)F)C(F)(F)F)ccc21 409913463 UFAFPIRURZPLIB-CQSZACIVSA-N 449.326 5.146 30 20 IKED N#CCSc1cccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)c1 429955006 YIXMQAVBQNMFNE-UHFFFAOYSA-N 432.983 5.352 30 20 IKED CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2cccc(SCC#N)c2)cc1 430058886 IZVGXHQLVTZZLW-UHFFFAOYSA-N 443.572 6.104 30 20 IKED COc1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1OCc1ccncc1 432701873 CSUBRICLRBFICN-QFIPXVFZSA-N 430.508 5.226 30 20 IKED N#CCCC[C@H](NCC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1ccccc1 433021404 QYCLVVZUZODWPL-JYFHCDHNSA-N 429.589 5.247 30 20 IKED Fc1ccc(-c2nc(CN[C@@H](c3ccc(OC(F)F)cc3)C(F)(F)F)no2)c(F)c1 444613418 KAKWAMMENBDJBK-HNNXBMFYSA-N 435.299 5.009 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 460926707 LMVMEKXOKLJXOZ-HYHKQLJDSA-N 445.592 5.004 30 20 IKED C=CC[C@H]1N(c2nnc(-c3cccc4cccnc34)n2C[C@@H]2CCOC2)CCCC1(C)C 461549070 GVMWEDMIKMMUPD-SIKLNZKXSA-N 431.584 5.101 30 20 IKED Cc1ccsc1-c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@H]1CCCCO1 461686006 UTYQLQUBYJYFAJ-JOCHJYFZSA-N 445.592 5.050 30 20 IKED COc1cccc([C@@H](NCC(=O)Nc2cc(Cl)ccc2C#N)c2ccccc2Cl)c1 462250131 XYCXSPHNMPWBQG-HSZRJFAPSA-N 440.330 5.191 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(Br)c1C 463486992 ODIZGLIEZSRHLV-UHFFFAOYSA-N 435.321 5.769 30 20 IKED Cc1cnc([C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C2CC2)s1 466115010 IGNNIIBONIQLPA-HXUWFJFHSA-N 438.940 6.042 30 20 IKED Cc1c(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)ccc(C(F)(F)F)c1F 467737423 KFBUQGDPMLAPCG-UHFFFAOYSA-N 429.263 5.608 30 20 IKED CCOc1ccc(-n2c(SCc3ccc(F)c(C#N)c3)nnc2-c2cccnc2)cc1 469018284 NJOYSPSGZZVLBQ-UHFFFAOYSA-N 431.496 5.031 30 20 IKED C[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc2c(c1)CCCC2 470533732 VQJFULGBQUJSFP-SFHVURJKSA-N 430.552 5.031 30 20 IKED N#CCCN(CC(=O)Nc1ccccc1Sc1ccc(Cl)cc1)Cc1ccccn1 471216030 NJUVXKMOTPMVIB-UHFFFAOYSA-N 436.968 5.241 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3sc(C4CC4)nc3-c3ccccc3)CC2)cc1 473435843 SSUUMAJCQLLMAA-UHFFFAOYSA-N 429.545 5.243 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)Nc2ccccc2)s1 474982716 AMGDJRVSSUTFJB-PMACEKPBSA-N 430.533 5.304 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(n2c(CC)nc3ccccc32)CC1 475545021 CIHKGGLJZSNLAB-UHFFFAOYSA-N 430.596 6.320 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@@H](C)c1ccccc1 476652388 BMGUJRBZLLNLGX-IEGUWTFLSA-N 445.950 5.242 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)cc1 476986018 QDTPVSJSYUXXPA-QFIPXVFZSA-N 448.364 5.359 30 20 IKED Cc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1NC(=O)N(C)C 478627529 CTRUXGQVBIXWPJ-UHFFFAOYSA-N 448.910 5.658 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)nnc1-c1cccs1 481389581 IVUVGPKVGOONHN-KGLIPLIRSA-N 433.002 5.204 30 20 IKED CCc1c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cnn1-c1cccc(Cl)c1 482736179 VPDRTUZQQRQNDR-UHFFFAOYSA-N 443.894 5.399 30 20 IKED CCCN(C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)[C@@H](CC)c1ccccc1 484853542 GTKDXPNATGATPC-QFIPXVFZSA-N 442.519 5.074 30 20 IKED CC(C)c1c(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cnn1-c1ccc(Cl)cc1 485179316 RNERIOXECZFBCK-FYYLOGMGSA-N 447.970 5.953 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)CCOc3ccc(F)cc3)s2)c(C(F)(F)F)c1 487349799 GOFFSYLTWUTJEK-UHFFFAOYSA-N 449.429 5.171 30 20 IKED N#Cc1ccc(NC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1Br 487960024 SWRHAUSBPOPAHB-UHFFFAOYSA-N 446.732 5.101 30 20 IKED N#Cc1ccc(NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)c(Cl)c1 494635362 JWTFKFOWEZJHJE-UHFFFAOYSA-N 428.673 5.414 30 20 IKED CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 503152526 OKVRLCDMNPUWCH-NRFANRHFSA-N 449.429 5.093 30 20 IKED C=CCN(CCc1ccccc1)C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 503503519 NVJCZZDXVBTUSM-UHFFFAOYSA-N 433.531 5.073 30 20 IKED CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 504073527 GNOYXUZDLCXHAW-DVECYGJZSA-N 437.927 5.196 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)CC2)c(F)c1 505242553 MEXLBJXNOKUVSP-UHFFFAOYSA-N 445.460 5.124 30 20 IKED N#C[C@H](C(=O)c1csc(Cc2cccc(F)c2)n1)c1nc2ccccc2n1C(F)F 505422694 QCIZUBVFISOZHU-CQSZACIVSA-N 426.423 5.108 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 505674907 FJWZJIUWJBEWMO-UHFFFAOYSA-N 428.404 5.001 30 20 IKED C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 505946364 HWIIUSUNEWNBNI-QPPBQGQZSA-N 447.648 5.577 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1csc(Br)c1C 506626885 MVVVRXBBYPHERM-UHFFFAOYSA-N 428.311 5.439 30 20 IKED C=C(C)COc1cccc(NC(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1 506756857 BHZZINVDLMTEGP-GOSISDBHSA-N 430.508 5.172 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C 509601360 GOECSSXMWCTRPU-UHFFFAOYSA-N 445.548 5.652 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 510676127 WKFZUTABFGHDLA-REWPJTCUSA-N 440.547 5.616 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)[C@@H](C)CC)nnc1-c1ccc(Cl)cc1Cl 512135297 HXYMDLWUAIKBSO-QWHCGFSZSA-N 427.401 5.081 30 20 IKED C=C(C)CN(Cc1csc(N(C(C)=O)c2ccccc2CC)n1)Cc1ccc(CO)o1 512211981 LQOAIPRMKUYROV-UHFFFAOYSA-N 439.581 5.054 30 20 IKED Cc1cccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c1NC(=O)c1ccccc1F 516074832 DQSRWJUFYHJDIS-QGZVFWFLSA-N 441.384 5.290 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2cc(-c3ccccc3)on2)cc1 516097058 WVFYVOLOFCDMRG-UHFFFAOYSA-N 440.478 5.264 30 20 IKED CCC(=O)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 518151763 WNSQCGCKKDJZLG-UHFFFAOYSA-N 436.455 5.321 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)NC3CC3)c2)cc1Cl 520514732 XIQGYMYZBJTZCC-JOCHJYFZSA-N 444.922 5.532 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)cc1 521317035 IKTRAXIALJCVDQ-UHFFFAOYSA-N 442.302 5.349 30 20 IKED CCN(Cc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1)C1CC1 524114567 HWFISZBFOGOWKI-UHFFFAOYSA-N 439.559 5.682 30 20 IKED N#CCCCOc1cccnc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 524234504 TYDUMUYLNYDQCP-UHFFFAOYSA-N 445.306 5.297 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H](C)c1ccc(C(F)(F)F)cc1 532490324 XKDJSRMWNYZUPC-HZPDHXFCSA-N 435.515 5.731 30 20 IKED C=C(C)[C@H](CC(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C)OCC 535882391 ICBWWXXUMILVJE-FQEVSTJZSA-N 434.458 5.576 30 20 IKED CC(=O)N1CC[C@@H](NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c2ccccc21 536063328 NSIZDXQVZJGLQO-JOCHJYFZSA-N 445.906 5.232 30 20 IKED CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccc(C2(C#N)CC2)cc1 537392410 LROUGDNMWKLVLE-UHFFFAOYSA-N 432.527 5.367 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2c(F)cc(Cl)cc2F)cc1 538216200 NANSMDLXCYOJRT-UHFFFAOYSA-N 429.829 5.863 30 20 IKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)Cn4ccnc4C)c3C#N)C(C)(C)C2)o1 538530994 ICICLXRGNDBHMU-VURMDHGXSA-N 432.549 5.443 30 20 IKED CCc1c(-c2ccc(Br)cc2)n[nH]c1NC(=O)c1ccc(Cl)c(C#N)c1 541787230 NXACDRRHVMXPPG-UHFFFAOYSA-N 429.705 5.179 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)N1CCc2cc(Cl)c(Cl)cc2[C@@H]1C 542419702 MFTKGORAEJHIHF-ZDUSSCGKSA-N 434.323 5.041 30 20 IKED C[C@@H](NC(=O)N1CCC(OC[C@H]2CCCCO2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 543942403 JOBSGWOWXJBKMJ-FQRUVTKNSA-N 447.579 5.046 30 20 IKED C[C@H](C(=O)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl)n1cnc(C#N)n1 544002196 VULWTECGCPRQLS-SNVBAGLBSA-N 436.686 5.102 30 20 IKED CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1 550592022 RDUGBNXWUOVRRX-KRWDZBQOSA-N 449.551 5.040 30 20 IKED CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1S[C@@H](C)CC#N 553320117 QMZJOWCCYKKKEH-HNNXBMFYSA-N 436.408 6.830 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(-c4noc(C(F)F)n4)cc3)cc2)cc1 554216762 CHBREIQWUYDPJZ-UHFFFAOYSA-N 446.413 5.785 30 20 IKED N#Cc1cc(C(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cnc1C(F)(F)F 555901158 JBIMSUZTEANLRK-OAHLLOKOSA-N 446.429 5.042 30 20 IKED C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC=C(C(F)(F)F)CC1 558455816 ICAQTTMHCOKEJN-UHFFFAOYSA-N 431.487 5.262 30 20 IKED CCCNc1ccc(C#N)cc1NC(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1 559979465 HEAUYVFUDRXVEJ-UHFFFAOYSA-N 437.931 5.030 30 20 IKED C=CCOc1ccccc1CNC(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C 562204010 SLQVETJGCQWXOL-UHFFFAOYSA-N 430.508 5.526 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1)[C@H]1C[C@@H]1C 563742913 IPZIBCJLMMAHRZ-FYSMJZIKSA-N 443.478 5.503 30 20 IKED Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 574085574 CBZAXVNZBPKTPA-MRXNPFEDSA-N 435.553 5.859 30 20 IKED Cc1sc(C2(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)CCC2)nc1-c1ccccc1F 577893278 HOHODMDCQMTJGJ-OAHLLOKOSA-N 435.524 5.092 30 20 IKED O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1ocnc1C1CC1 578912395 BWVVBYDMNUFXMG-CYBMUJFWSA-N 446.269 5.623 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3ccccc3SCC(F)(F)F)CC2)c(F)c1 585956533 QIXLVQQHFWURLW-UHFFFAOYSA-N 437.462 5.207 30 20 IKED Cc1cc(Oc2ccccc2)ccc1NC(=O)C(=O)N[C@H](CCCC#N)c1ccccc1 590299499 SFZKTBMEOUURER-XMMPIXPASA-N 427.504 5.277 30 20 IKED C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C2CC2)o1 603690130 WJEYXUKXVCDKQL-ZHRRBRCNSA-N 428.492 5.658 30 20 IKED CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 608739196 CDGOMZDSRDPMII-FMKPAKJESA-N 428.392 5.165 30 20 IKED Cc1csc(Sc2ccc(C(=O)Nc3cc(C#N)cn3C(C)(C)C)cc2[N+](=O)[O-])n1 609358660 MKQWEQVDALYALO-UHFFFAOYSA-N 441.538 5.191 30 20 IKED CC1CCN(c2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2[N+](=O)[O-])CC1 609376828 KGCRZWINCSCSCT-QGZVFWFLSA-N 438.553 5.335 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H](c3cccs3)N3CCCC3)cc2)c1 609434355 XMGHKRCKWWHCFJ-JOCHJYFZSA-N 432.549 5.371 30 20 IKED COc1cc(C)c(CN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC 609434387 CGBMTWYRPKXJQR-UHFFFAOYSA-N 431.492 5.340 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 609438618 MPYJYGXXPBNWLT-RTBURBONSA-N 446.576 5.938 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl 610196227 PEDUAJBXUJVXQO-UHFFFAOYSA-N 426.948 5.182 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)NCc1ccc(C#N)c(Cl)c1 619755342 XMECFUGVIXLYIB-LBPRGKRZSA-N 446.801 6.257 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCC(OCCc2ccccc2)CC1 620809563 LKOOWIWRBHUXFD-UHFFFAOYSA-N 430.573 5.404 30 20 IKED O=C(c1ccc(F)cc1C(F)(F)F)N1CCC(c2nc(C(F)(F)F)cs2)CC1 622639908 XRRICGYNSGGWCR-UHFFFAOYSA-N 426.357 5.340 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 642050595 URJYKRKNMZWCGB-KRWDZBQOSA-N 441.000 5.405 30 20 IKED N#C[C@H](C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1)c1nnc2n1CCCCC2 642281004 ZGTGBBBKPMPBDN-LJQANCHMSA-N 440.425 5.306 30 20 IKED CO[C@H](c1ccccc1F)[C@H](C)NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 678852845 JSONFSPXOHPLSV-YWDSYVAPSA-N 444.391 5.110 30 20 IKED COc1cc(OC2CC2)ccc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 682990455 TXHOTLXPJCPSAH-HNNXBMFYSA-N 432.423 5.355 30 20 IKED N#Cc1cnc2ccccc2c1OCCOC(=O)CCCCc1nc2ccccc2s1 726365898 IXFZNNKXULHIKZ-UHFFFAOYSA-N 431.517 5.051 30 20 IKED Cc1cc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccccc2)c(C)c(C)c1C 726570525 DAYSVTNXCUYVCJ-UHFFFAOYSA-O 448.999 6.056 30 20 IKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2cnc(-c3ccccc3)s2)cc1 727253113 AQUKEDKVVWQSSR-UHFFFAOYSA-N 435.578 5.275 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccccc3OC(F)(F)F)n2)cc1 727628139 SFCCFNRASKEIQF-KRWDZBQOSA-N 430.451 5.826 30 20 IKED N#Cc1ccc(-c2ccc(OC(=O)COc3ccccc3OCC(F)(F)F)cc2)cc1 727659965 YAYQFLCQXRAGKK-UHFFFAOYSA-N 427.378 5.151 30 20 IKED CC(C)c1ccc(NC(=O)CON=C(Cc2nc3ccccc3n2C)c2ccccc2)cc1 731664492 OPZIOGGVVLLUTE-UHFFFAOYSA-N 440.547 5.299 30 20 IKED C[C@@H](Nc1ccc(OCc2ccccc2F)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 732919680 QDLQZENBNSOITL-OAHLLOKOSA-N 435.524 5.266 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=S)Nc2ccc(Oc3ccccc3)cc2)ccc1OC 733209461 TXEQAAROPNZOAO-FQEVSTJZSA-N 447.560 5.655 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)ccc1OC 733652403 CFDNWZNUGJQCFD-KRWDZBQOSA-N 436.512 5.137 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(OCc3ccc(F)cc3)c2)c1 733843051 JOQCOKPHGOAUDY-JOCHJYFZSA-N 433.483 5.407 30 20 IKED CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H]1CCCN(c2ccccc2)C1=O 734643817 HYOIQDKEVITRRK-LOSJGSFVSA-N 438.531 5.001 30 20 IKED C=CC[C@H](NC(=O)N1CCC(CCc2cccc(C(F)(F)F)c2)CC1)c1ccncc1 734683030 JIIOCZWTZNSNTL-QFIPXVFZSA-N 431.502 5.772 30 20 IKED Cc1cc(C(=O)Nc2ccc(OCC3CCOCC3)cc2)c(C)n1-c1ccc(C#N)cc1 736577198 CEMFWKYDZAQXBA-UHFFFAOYSA-N 429.520 5.024 30 20 IKED CN(Cc1ccccc1NC(=O)Nc1cccc(OCCCC#N)c1)C(=O)OC(C)(C)C 737002164 XSMHAXNOYPQGNF-UHFFFAOYSA-N 438.528 5.380 30 20 IKED C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 741058288 BHUFTUHYCYGFHF-CUNXSJBXSA-N 438.575 5.470 30 20 IKED COc1ccc(/C=C2\N=C(SCCC(C)(C)C#N)N(c3cccc(OC)c3)C2=O)cc1 741446717 CBNXNAPXXJITOE-STZFKDTASA-N 435.549 5.121 30 20 IKED COC(=O)c1ccc(COc2ccc(/C=C3\Cc4cc(Cl)ccc4C3=O)cc2OC)o1 742437321 LLAFNABFPFEOHB-CXUHLZMHSA-N 438.863 5.130 30 20 IKED N#C[C@H](C(=O)[C@H]1SCCc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 744034623 DJBSWJUFXIMVHB-UZLBHIALSA-N 445.396 6.324 30 20 IKED C[C@@H](Oc1cccc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)c1)C(=O)O 745021539 QROLIAZKRSLFIJ-BFFYNSAMSA-N 449.890 5.340 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(-c3ccc(OC)cc3)s2)c1 747586234 YOMPFVAHRQRBLY-IBGZPJMESA-N 435.549 5.104 30 20 IKED N#C[C@@H](C(=O)CCCOCc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 748004511 ZRUYCMGVODXHSI-SFHVURJKSA-N 445.371 6.290 30 20 IKED CC(=O)N(c1nc(COC(=O)c2ccc(C#N)cc2C)cs1)c1c(C)cc(C)cc1C 748417399 LOSMMNCWCSVNQT-UHFFFAOYSA-N 433.533 5.290 30 20 IKED N#CCC[C@@H](NC(=O)C(=O)Nc1ccccc1SCc1ccccc1)c1ccccc1 748801579 VOAPSONZXJGOQU-OAQYLSRUSA-N 429.545 5.079 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccnc(Oc2ccccc2)c1 749338270 NOKMGIKJRDVRHU-JOCHJYFZSA-N 449.466 5.627 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 750691081 OGBPRACNJOJUNX-CVDCTZTESA-N 448.567 5.111 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@@H]3c3ccc(Cl)cc3)c2)cc1 752188848 NCQNUUYUTGDCIF-XMMPIXPASA-N 431.923 5.964 30 20 IKED N#C[C@@H](C(=O)Cc1ccc(OCc2ccccn2)cc1)c1nc(-c2ccccc2)cs1 752475660 BIVYKKRFBAUMDR-QFIPXVFZSA-N 425.513 5.203 30 20 IKED C=C[C@H](CC(=O)N(C)c1ccccc1C(=O)N(C)CCc1ccccc1)c1ccccc1 759044938 UVGHYIHBKBWNRT-HSZRJFAPSA-N 426.560 5.324 30 20 IKED CC(C)(C)Sc1ccc(-c2noc(-c3ccc(S(=O)(=O)CCCC#N)cc3)n2)cc1 762349891 XFACNUINPZFEGX-UHFFFAOYSA-N 441.578 5.372 30 20 IKED C=CCn1c(-c2cccs2)nn(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)c1=S 764993046 JUBUZRDRDJGSLL-UHFFFAOYSA-N 442.454 5.103 30 20 IKED C[C@@H]1CCC[C@H](OCCCCCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)C1 766624198 FHSIAZJIJXEHBE-COPCDDAFSA-N 435.593 6.014 30 20 IKED Fc1ccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)c(Cl)c1 767765568 QAOIZNNQLGDCAB-UHFFFAOYSA-N 431.707 5.127 30 20 IKED CCCN(C(=O)c1ccccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(C)C 771519254 GEAFGDMAXTULGL-UHFFFAOYSA-N 445.519 5.243 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(Cc3ccc(N(C)CCC#N)cc3)C2)n1 775203661 MVKGOBSWLSDEPP-OAQYLSRUSA-N 446.620 5.548 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccnc(Cl)c2)ccc1OCC(=O)Nc1ccccc1 779461380 ZIGBLDZSUUWLDD-CSKARUKUSA-N 436.895 5.047 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 780152239 DFBPERORFDZIAW-GOSISDBHSA-N 440.478 5.150 30 20 IKED Cc1cc(C(=O)OCC(=O)Nc2c(C(C)C)cccc2C(C)C)nn1-c1cccc(C#N)c1 780200222 YJUNKIKOTLGQIW-UHFFFAOYSA-N 444.535 5.095 30 20 IKED COc1ccc(C[C@@H](NC(=O)Nc2ccccc2O[C@H](C)C#N)c2ccc(OC)cc2)cc1 780674164 KRDUVNANKZLLOY-HOYKHHGWSA-N 445.519 5.100 30 20 IKED CCCCCCCCn1nc(C)c(S(=O)(=O)Nc2c(F)cc(C(C)=O)cc2F)c1C 780726342 JJWUAYYZQKZVGR-UHFFFAOYSA-N 441.544 5.142 30 20 IKED COc1c(Cl)cc(Cl)cc1C=Nn1c(S)nnc1CSc1ccccc1 782245000 FYQOKHHSMGFGKJ-UHFFFAOYSA-N 425.366 5.057 30 20 IKED CC(=NOCc1coc(-c2cccs2)n1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 784051271 YMQZJNMWUJMNDT-UHFFFAOYSA-N 447.442 5.252 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c1 784322770 GRGOSKBSLKHMBP-ICSRJNTNSA-N 431.458 5.085 30 20 IKED O=C(/C=C\c1cc(Br)c(Cl)s1)c1cc(Br)ncc1F 790223330 LAEKIPWLBYMVSJ-UPHRSURJSA-N 425.504 5.357 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(CN2CCC(Oc3ccc(C#N)cc3F)CC2)c1 796514420 KYMMOZPBDYRLGU-UHFFFAOYSA-N 425.504 5.088 30 20 IKED N#C[C@H](C(=O)C1(c2cncc(Br)c2)CC1)c1nc2cc(Cl)ccc2s1 798816604 NHLLHVXTATXDGJ-CYBMUJFWSA-N 432.730 5.015 30 20 IKED C=CC[C@H](NC(=O)N1CCC(C)(c2ccc(Br)cc2)CC1)c1ccncc1 799589708 ZBIYBMMRDOGUDZ-FQEVSTJZSA-N 428.374 5.225 30 20 IKED N#CC1(CCCOC(=O)c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)CCOCC1 800212122 DEIMQNVQEOECHJ-UHFFFAOYSA-N 434.323 5.389 30 20 IKED C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)n1ccc2ccccc2c1=O 805856213 WDSFETNYWHWCNA-LIRRHRJNSA-N 433.920 5.216 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 915085825 FHTBJRCXQZUXRH-AREMUKBSSA-N 446.510 6.238 30 20 IKED Cc1nn(CC(C)C)c(C)c1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915101999 PMLOTEUWDUFYEL-LJQANCHMSA-N 426.973 5.352 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(C3CC3)C2=O)c1 916209254 HXLQCFGSZQFIAJ-LJQANCHMSA-N 427.957 5.080 30 20 IKED CC(=O)N(c1ccccc1)c1nc(C=NN(Cc2ccccc2)c2ccccc2)cs1 916249622 CEELXEQFCMYFOU-UHFFFAOYSA-N 426.545 5.868 30 20 IKED COc1ccccc1Nc1nc(Cl)c(C=NNc2ccc(Cl)c(C(=O)O)c2)s1 916540064 LTVPTPDZEYECQJ-UHFFFAOYSA-N 437.308 5.346 30 20 IKED Cc1oc(-c2cccs2)nc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916906595 FKQKGUDIFQEPRU-KRWDZBQOSA-N 443.484 5.465 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(OC(F)(F)F)cc1 916906795 VPKHMUOJXNHLRZ-GOSISDBHSA-N 440.377 5.339 30 20 IKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(SC(F)(F)F)cc1 916945202 SCKNHSIRVJBXOC-AWEZNQCLSA-N 433.238 5.566 30 20 IKED COCCOc1ccc(C(=O)/C=C\c2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1OC 917146471 NTRKALYMWCRVMH-KHPPLWFESA-N 440.927 5.072 30 20 IKED COc1ccc2c(c1)CCC[C@@H]2CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 920112828 KZOUPWKCCGQTCE-KDOFPFPSSA-N 444.478 6.010 30 20 IKED N#C[C@@H](C(=O)CSc1cccc2cccc(Cl)c12)c1nc(-c2ccncc2)cs1 920264962 GFXWFMADGYFGRF-INIZCTEOSA-N 435.961 5.980 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cncc4cnccc34)CCC2)cc1 1785843081 RBQQNPVOVKQXAB-UHFFFAOYSA-N 442.563 5.370 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CNc4ccccc43)cc2)CCC1 1788045563 BXCCLQMTYHJCBF-JOCHJYFZSA-N 431.580 5.322 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(Cl)ccnc4c3)cc2)CCC1 1790838371 DBBDVRFBBMBRTD-UHFFFAOYSA-N 431.923 5.049 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)ccc4[nH]3)CCC2)cc1 1791728898 FBNIDEMYNDPEPB-UHFFFAOYSA-N 431.511 5.248 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)CCC=C)[C@@H]1c1cccnc1 1802492831 QQMMXUWRUHTHDA-FCHUYYIVSA-N 425.617 5.072 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@]2(F)CCCC=C2F)[nH]n1 1814445839 XZIJZWAKIVACNX-SBUREZEXSA-N 434.531 5.140 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3cnccc23)[nH]n1 1814828462 BKCUWMRACNCVIT-QHCPKHFHSA-N 443.551 5.032 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3sccn3c2)CC1 1827402024 FTRJRPSPMWRAKV-NRFANRHFSA-N 441.641 5.227 30 20 IKED Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1 1829689787 PNWOACDUAZGMEF-QHCPKHFHSA-N 449.982 5.067 30 20 IKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1832828146 QDERWHDPMKJBBE-AREMUKBSSA-N 444.575 5.126 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 10179065 GSCWAHQRSSYXCM-UHFFFAOYSA-O 430.380 5.894 30 20 IKED Cc1cc(C)c(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2cccc(O)c2)cc1C 10832215 AOXLRJMKWNEDCX-UHFFFAOYSA-O 425.961 5.309 30 20 IKED CC(=O)N(c1nc(COc2ccc(C#N)cc2Cl)cs1)c1c(C)cc(C)cc1C 18963660 CKLOBYUEKYZVNP-UHFFFAOYSA-N 425.941 5.857 30 20 IKED O=C(/C(=C(\S)Nc1ccc(Cl)cc1)[n+]1ccccc1)c1ccccc1Br 20834491 JOBNNSZIMJLRDE-UHFFFAOYSA-O 446.777 5.441 30 20 IKED CCOCCCn1c(S[C@H](C#N)Cc2ccc(C)cc2)nc2cc(Cl)ccc2c1=O 24845890 KKMQDOKZRLCKNS-IBGZPJMESA-N 441.984 5.012 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ccccc2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 60488383 BMDUSHUUADDDOQ-LJQANCHMSA-N 425.513 5.433 30 20 IKED C=CCN(C(=O)c1ccc(SC)o1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 303434199 FPZDZNMEHHEDRQ-UHFFFAOYSA-N 425.362 6.265 30 20 IKED CCc1ccc(OCc2nnc(SCc3ccc(C#N)cc3)n2Cc2ccccc2)cc1 409576665 OGKGHLHJTMQKHA-UHFFFAOYSA-N 440.572 5.632 30 20 IKED Cc1ccc(Cc2cnc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)s2)cc1C 428182150 CDGJTYHABODHKI-UHFFFAOYSA-N 441.560 5.380 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@@H]1c1ccc(F)cc1F 432026122 MHHPKVVVMOCNER-HRAATJIYSA-N 429.536 5.525 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1)c1ccccc1 432675501 LOMZIMJVTIOZCH-DEOSSOPVSA-N 444.510 5.312 30 20 IKED CC(=O)N(c1nc(CN[C@@H](CCCC#N)c2ccccc2)cs1)c1ccc(C)cc1C 433011001 MBTUMXCCDFWLSN-QHCPKHFHSA-N 432.593 5.969 30 20 IKED N#CCCC[C@H](NC(=O)Nc1cc(Br)ccc1N1CCCC1)c1ccccc1 433257833 DXONUSCRPLRWST-IBGZPJMESA-N 441.373 5.606 30 20 IKED CC[C@](C)(NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1nc(C)cs1 437979329 OQKDFODADCWQQI-DEOSSOPVSA-N 434.565 5.658 30 20 IKED C=CCn1c(S[C@@H](C)c2ncc(Br)cn2)nnc1-c1ccc(Cl)cc1 439272513 KUELQYGIZNNMKG-NSHDSACASA-N 436.766 5.190 30 20 IKED COc1ccc2c(c1)CN(C(=O)N[C@@H](CCC#N)c1ccccc1)[C@H](c1ccccc1)C2 440249650 XLWIXVIIIBGHLI-UIOOFZCWSA-N 425.532 5.549 30 20 IKED Cc1ccc([C@H]2CCCCCN2C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)o1 440970802 UTUCWKIKCUIMAV-PKOBYXMFSA-N 425.554 5.065 30 20 IKED COc1cc(CNC(=O)N[C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)ccc1C#N 460251846 ORRABSDRMQTILC-CQSZACIVSA-N 440.956 5.213 30 20 IKED N#Cc1cc(NCc2nc(CC(F)(F)F)no2)ccc1Oc1ccc(C(F)(F)F)cc1 462165285 AYUYAOQOALYADX-UHFFFAOYSA-N 442.319 5.469 30 20 IKED N#CCCCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 463091350 IZVFNXXKNIDIEE-UHFFFAOYSA-N 440.366 5.800 30 20 IKED COc1cccc([C@@H](Cc2cc(C)cc(C)c2)N[C@H](C)C(=O)Nc2ccccc2C#N)c1 463922229 QGKBMORVYKIWBZ-FQRUVTKNSA-N 427.548 5.084 30 20 IKED CCNC(=O)N1CCc2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)cc21 464969615 BAIUTTAVDXNUJR-UHFFFAOYSA-N 440.503 5.003 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(Cc2ccncc2)Cc2cccnc2)cc1 464977350 CDRGPNFUTFUQIL-UHFFFAOYSA-N 434.499 5.292 30 20 IKED C[C@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(F)cc1F 466431735 QYRSKNKAZHIYAD-QGZVFWFLSA-N 435.474 5.535 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3C[C@@H]3c3cccc(Cl)c3Cl)ccc21 469950096 HWCVSILCDBMCGC-MSOLQXFVSA-N 442.346 5.319 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 472329886 SROLSDOBDLGKSI-VMRPVKRXSA-N 428.989 5.301 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 476125201 AATATGQZOBUKAF-SQJMNOBHSA-N 438.568 5.207 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CN(C)C(=O)c1ccc(Br)s1 476141112 IUQSPKJRBDOJPP-UHFFFAOYSA-N 435.387 5.073 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)Nc1ccccc1S[C@H](C)CC#N 477528024 HVRKYANUICFGIQ-CHWSQXEVSA-N 439.507 5.339 30 20 IKED CC(C)(C)n1ncc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1C(F)(F)F 480183947 PVJJKIAORJGHBC-UHFFFAOYSA-N 442.441 5.360 30 20 IKED C[C@@H](N[C@H](c1ccc(F)cc1)c1nccn1C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 480336743 NDDIWKIRRISMEP-KZULUSFZSA-N 445.382 6.037 30 20 IKED C=C(C)Cn1c(S[C@@H](C)C(=O)Nc2c(CC)cccc2CC)nnc1-c1ccncc1 481374674 PZENOCZOUHUPDL-KRWDZBQOSA-N 435.597 5.160 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1Sc1nc(C(F)F)nc2ccccc12 481844323 VZPYQYDRGBHQPC-UHFFFAOYSA-N 439.491 5.384 30 20 IKED CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 482126410 XWXSJVDZKKCNSM-MRXNPFEDSA-N 444.969 5.152 30 20 IKED Cc1c([C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C(C)C)oc2ccccc12 483746202 OFVHJVOJTNLDEN-XMMPIXPASA-N 431.536 5.563 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2OC)C(C)C)nnc1-c1ccc(C)cc1 489655995 FRHIBQYAJRQTPY-NRFANRHFSA-N 436.581 5.204 30 20 IKED COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cc1SC 490552132 TYHKYDGMOCVLNK-UHFFFAOYSA-N 435.461 5.242 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(F)ccc(Br)c1F 494323470 SQBDGXPTJSZUCL-UHFFFAOYSA-N 444.235 5.347 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccccc3-c3c(F)cccc3F)cc2)nc1 494533463 WCHJAOVORIUCHR-UHFFFAOYSA-N 427.410 5.943 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(OC3CCCCC3)CC2)cc1 498003252 SLXULNGOELEGCB-UHFFFAOYSA-N 447.579 5.677 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)CC3(CCc4ccccc4)CCCC3)CC2)c1 498045600 MSNFJZAMYWYRJU-UHFFFAOYSA-N 443.591 5.319 30 20 IKED C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccccc1S[C@H](C)CC#N 498477939 QXFIUFBVIDIHMD-OLZOCXBDSA-N 436.364 5.145 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)c2ccc(Br)cc2)cc1 499505439 YIRDMZTYHUIPKW-MRXNPFEDSA-N 427.342 5.006 30 20 IKED CCCCN(C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)[C@H](CC)c1ccccc1 501495382 OGIOZJXZADGPTI-JOCHJYFZSA-N 446.576 5.400 30 20 IKED CCCN(CCC)C(=O)c1cccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1 503571758 KVZKGQYXCLWNBY-SFHVURJKSA-N 439.968 5.702 30 20 IKED COc1ccc(CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1OCCCC#N 507050561 BRTGCNPCZFVQME-UHFFFAOYSA-N 426.944 5.126 30 20 IKED CC[C@H](C)n1ncc2c(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)cc(C)nc21 508981428 RYJOSYHVBORTMS-HNNXBMFYSA-N 441.560 5.662 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 509617625 LUUDRFKAWANPHJ-UHFFFAOYSA-N 444.516 5.279 30 20 IKED CC(C)(C)c1csc(C2CCN(C(=O)CCCCOc3cccc(C#N)c3)CC2)n1 511403372 GFJKTNTYSXJPSL-UHFFFAOYSA-N 425.598 5.268 30 20 IKED O=C(c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 513510220 AMCSYWASRQSWGJ-OAHLLOKOSA-N 449.370 5.225 30 20 IKED N#Cc1ccc(CCC(=O)C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 513677046 PJKMPAZWGJTQQY-UHFFFAOYSA-N 439.565 6.111 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1c[nH]c2cccc(Br)c12 513779136 ZGQMZGHRHMQPEY-CYBMUJFWSA-N 428.355 5.506 30 20 IKED Cc1cc(N2CCCC2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 513946457 LHWKZLRIQBWFLW-UHFFFAOYSA-N 442.538 5.840 30 20 IKED N#Cc1c(NC(=O)CSCc2coc(-c3ccccc3)n2)sc2c1CCCCCC2 515675574 OXYIDZSYLXNJOP-UHFFFAOYSA-N 437.590 5.806 30 20 IKED COc1ccccc1N1CC[C@@H](CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 519195700 OMJCDKJMXBWOES-FQEVSTJZSA-N 442.519 5.007 30 20 IKED Cc1nc2cc(C(=O)Nc3ccccc3S[C@H](C)CC#N)ccc2n1-c1ccccc1 520924351 VNLHFVFFKXOJOY-QGZVFWFLSA-N 426.545 5.981 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1Cc1ccccc1 521259112 KWZDRNFLUPLROT-MRXNPFEDSA-N 434.471 5.132 30 20 IKED CC(C)n1ncc2c(C(=O)N[C@H](C#N)c3ccc(Cl)cc3)cc(-c3ccccc3)nc21 521603097 SAMBFCWMZQPKPX-JOCHJYFZSA-N 429.911 5.327 30 20 IKED COCCN(CCOc1ccc(F)cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 521811386 FSAXNDJIJZUTQJ-UHFFFAOYSA-N 449.482 5.049 30 20 IKED N#C[C@@H](C(=O)c1oc2ccccc2c1CSc1ncccn1)c1nc2ccccc2o1 523963403 KOIJHDGEHXWZPF-HNNXBMFYSA-N 426.457 5.146 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 524683433 XEPNNLGYHRYZDS-UHFFFAOYSA-N 447.926 5.301 30 20 IKED C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@H](c2ccc(F)cc2)O1 525090834 KZBPNFARNOOXLQ-IQGLISFBSA-N 430.479 5.286 30 20 IKED CSc1nc(O)c(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccccc2Cl)cc1C#N 525390605 MMWQCVSNMZAKHU-SFHVURJKSA-N 444.343 5.207 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(C(C)C)cc2)nnc1[C@H]1COc2ccccc2O1 525623269 QAIGTLAXNDVMFC-HTAPYJJXSA-N 449.576 5.464 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1 531100930 QWEQWFOGTOPZLV-OAHLLOKOSA-N 436.562 5.896 30 20 IKED CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 531775353 XVMTWHRPQTUMAJ-TZIWHRDSSA-N 448.958 5.367 30 20 IKED Cc1cc(NC(=O)N[C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)nn1CCC#N 541458248 VITDFWDNUJQQEQ-FQEVSTJZSA-N 428.323 5.323 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1)c1ccccc1 549166430 JNKDXAIGWXNJDT-XUZZJYLKSA-N 434.584 5.246 30 20 IKED C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)[C@H]1OCCc2sccc21 550454814 VBLWWAWTRYMFFW-KPZWWZAWSA-N 440.512 5.661 30 20 IKED N#CCCn1ncc(C(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)c1-c1ccccc1 554266043 VIHRJWZTADVYHR-HXUWFJFHSA-N 436.968 5.124 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 554383010 NOIDTIFPCGXOCS-UHFFFAOYSA-N 447.560 5.583 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 554929663 CVWKRHIPRRZLQV-GOSISDBHSA-N 435.528 5.133 30 20 IKED Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 558819383 IIAOKCRFRJBCNX-PRJVBOEPSA-N 446.938 5.288 30 20 IKED N#Cc1ccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1Br 562290127 ROZRVWKUAFPGAC-CQSZACIVSA-N 441.354 5.342 30 20 IKED N#Cc1ccc(C[C@@H](C#N)c2nc(-c3ccc(Oc4ccccc4F)c(F)c3)no2)cc1 563773555 FARJNHKFFARXIL-SFHVURJKSA-N 428.398 5.529 30 20 IKED CC(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC(C)(C#N)CC1 567411653 CMKQQBGMISXTPK-UHFFFAOYSA-N 436.785 5.147 30 20 IKED CNc1ccc(C#N)cc1NC(=O)CSc1ncnc2scc(-c3ccccc3)c12 575146232 QXUJUQQINNMQHP-UHFFFAOYSA-N 431.546 5.002 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(Cc2csc([C@@H](C)OC)n2)no1 577779900 KJUUHUKYUABZEQ-LLVKDONJSA-N 425.432 5.075 30 20 IKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)N(C)CCOCc1ccc(C#N)cc1 582204540 AMKYWZZOZISUTP-OAQYLSRUSA-N 443.547 5.687 30 20 IKED COc1cc(CNC(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)ccc1C#N 583967451 HGYZZGFNYLWQON-CYBMUJFWSA-N 440.956 5.213 30 20 IKED COC(=O)c1cccc(CNC2(c3nc(-c4ccccc4F)c(C)s3)CCC2)c1C#N 590209581 QNIRRPVZODWNKG-UHFFFAOYSA-N 435.524 5.085 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(N(C)c2ccccc2)nc1 603738516 LMQLWFURBBSBMI-UHFFFAOYSA-N 435.487 5.469 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cnn1-c1ccc(Cl)cc1 603764457 GWGHKRJHYAFTKC-UHFFFAOYSA-N 429.867 5.145 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3SCc3cscn3)cn2)cc1 603765744 XLXAEUULZCNGPF-UHFFFAOYSA-N 444.541 5.747 30 20 IKED C[C@@H](Sc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)N(CCC#N)c1ccc(F)cc1 603938287 UMBMWWAXLOYFRG-GFCCVEGCSA-N 436.434 5.148 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1 603991333 IXRHKVKUGVSGQR-QGZVFWFLSA-N 434.515 5.155 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)C 608838437 NKZFFGPXNHYEMZ-OAQYLSRUSA-N 433.474 5.132 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 609061957 MQSDGSSRBMPLNA-RUZDIDTESA-N 442.515 5.256 30 20 IKED Cc1cc(C)c2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)sc2n1 609062029 SCLQQXBUPVRJQD-UHFFFAOYSA-N 427.529 5.925 30 20 IKED Cc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc(C)c1OCc1cccnc1 609377054 NRLPSBJVGBIRRW-QGZVFWFLSA-N 431.561 5.782 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC=C(c2cccc3ccccc23)CC1 609435084 OHTHSKUMJPZTPB-LJQANCHMSA-N 427.573 6.555 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2noc(-c3cccc(F)c3)n2)cc1Cl 610253889 DAKDTHHCRMYFQZ-LJQANCHMSA-N 432.842 5.437 30 20 IKED CCS(=O)(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 611184843 NRSUBRDOXWRNSQ-UHFFFAOYSA-N 440.908 5.050 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 611262256 DUMOLLOHDVJADM-UHFFFAOYSA-N 444.506 5.098 30 20 IKED N#CCCn1cc(CNc2ncc(Cc3cc(F)cc(F)c3)s2)c(-c2ccccc2)n1 612625064 NTBSOFWPAGMXQR-UHFFFAOYSA-N 435.503 5.401 30 20 IKED Cc1ccc(-c2noc(CCCN3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)n2)cc1F 618448939 CUHUDRFXVUKJKD-ZIAGYGMSSA-N 439.375 5.179 30 20 IKED Cc1ccccc1OCc1nnc(Sc2ccc([N+](=O)[O-])cc2C#N)n1-c1ccccc1 619684688 DNXNTURDCVKYNT-UHFFFAOYSA-N 443.488 5.086 30 20 IKED N#Cc1cc([N+](=O)[O-])ccc1Sc1nnc(-c2ccccc2F)n1Cc1ccccc1 619697295 HWBKGEWTCFNDOR-UHFFFAOYSA-N 431.452 5.064 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)c(Cl)cc1Cl 642157581 IHEUCSXIHHCZIU-JIGDXULJSA-N 426.159 5.772 30 20 IKED C=CCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2CC)c1nc2c(s1)CCCC2 648056884 ARWFHFRUSCHEIG-UHFFFAOYSA-N 443.576 5.286 30 20 IKED CCC[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F 675202469 KSBWFTHLWILYDY-JRPNMDOOSA-N 432.355 5.578 30 20 IKED C=CCC[C@@H](NC(=O)NC1CCN(C(=O)C(C)(C)C)CC1)c1ccc(C(F)(F)F)cc1 676723877 ZWTIVTOGNWDYEB-LJQANCHMSA-N 439.522 5.049 30 20 IKED CC(C)Oc1c(F)cc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F 680242039 VBDSLJFYSLTRLW-URLYPYJESA-N 448.354 5.783 30 20 IKED O=C(CCCc1cccc(C(F)(F)F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 681130426 XLJQZISNIICQMG-KBPBESRZSA-N 449.357 6.054 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C(C)(C)C)cc2)[n+]2cccc(O)c2)c1 726573121 ZYXAPQQJXIIEJX-UHFFFAOYSA-O 429.565 5.282 30 20 IKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1csc(-c2ccccc2Cl)n1 727626851 HMKDTIXYSRUREW-LBPRGKRZSA-N 434.279 5.217 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 727804235 ZTIIAEAFLIDQBR-UHFFFAOYSA-N 443.503 5.737 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)Nc1ccc(OC(C)C)cc1 727978583 JDBKZLVPUURBCG-UHFFFAOYSA-N 431.561 6.042 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1nc(-c2cccs2)no1 728061995 FZXDJOBMQGAWLO-AWEZNQCLSA-N 436.924 6.075 30 20 IKED C#Cc1cccc(N(Cc2ccco2)C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c1 728185935 SDAWJLSGJFSUFF-UHFFFAOYSA-N 432.426 5.360 30 20 IKED C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)/C=C\c1cccc(Br)c1 730997598 LDALBSGFAGSQFD-CMUBDUJZSA-N 437.384 5.113 30 20 IKED Cc1ccccc1-c1nn(-c2ccccc2)cc1/C=C/C(=O)c1ccc(C(F)(F)F)nc1O 731564701 PJJSSHRQYPZFHT-ACCUITESSA-N 449.432 5.863 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=S)Nc2c(C(C)C)cccc2C(C)C)ccc1OC 733210954 HELGXWYVPUVDEB-IBGZPJMESA-N 439.625 6.110 30 20 IKED C#CCN(C(=O)Nc1cccc(OCC=C)c1)[C@@H]1CCOc2ccc(Br)cc21 733627653 PCVXKPCCJNUJQH-HXUWFJFHSA-N 441.325 5.005 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c23)c1 733770866 KWBADMZYUWKKBP-QGZVFWFLSA-N 444.491 5.217 30 20 IKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1nc2ccccc2s1 734208843 VCDAJZXWIKCGLZ-QGZVFWFLSA-N 442.544 5.824 30 20 IKED Cc1ccc(NC(=O)CSCc2cc(Cl)ccc2OCC#N)c(Br)c1 735320427 RUJWTKHVJLXCMW-UHFFFAOYSA-N 439.762 5.185 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cn(-c3ccc(Cl)cc3)nc2C)cc1 744034110 ZZSBJXIZFJQLKW-VFNWGFHPSA-N 434.927 5.309 30 20 IKED C=CCN(CCc1ccccc1)Cn1nc(-c2cccnc2)n(-c2ccccc2)c1=S 744153676 BCASOLAQQBLPRD-UHFFFAOYSA-N 427.577 5.153 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3ccc(Oc4ccc(F)cc4F)cc3)o2)cc1 745005039 NQNXAMQZNOVTKJ-UHFFFAOYSA-N 433.370 5.036 30 20 IKED N#CCSCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 745974837 XLCDZCHFHNVARA-UHFFFAOYSA-N 441.647 5.124 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2oc(C(C)(C)C)nc2C#N)cs1 746497222 DCDFVQZOJPCZBX-UHFFFAOYSA-N 442.932 5.084 30 20 IKED COCCCOc1cccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 752186337 RTOVZSSQOFCXDU-RUZDIDTESA-N 429.520 5.079 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1C#N 752200719 QTQUUKSWMWPQJY-UHFFFAOYSA-N 440.912 5.085 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(Cc2cccc(F)c2)C2CCCC2)ccc1OC 757212400 WIIJNOAZUAMXOA-JOCHJYFZSA-N 439.531 5.170 30 20 IKED CC(C)c1ncc(Cl)c(C(=O)OCc2c(F)c(F)c(C(F)(F)F)c(F)c2F)n1 764902807 LGIGJORNJKOAHO-UHFFFAOYSA-N 430.707 5.186 30 20 IKED CCCCOc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)c(Cl)c1 770840808 UQIWJEMNAWBJPF-INIZCTEOSA-N 449.334 5.451 30 20 IKED CN1C(=O)N(c2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C(=O)[C@@H]1Cc1ccccc1 771818774 OLKAZVXIZKHBOA-GMAHTHKFSA-N 429.907 5.005 30 20 IKED N#C[C@@H](Cc1ccc(F)cc1F)OC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 774319117 IXOZCMFTXJKRDT-OAHLLOKOSA-N 446.862 5.224 30 20 IKED COc1ccc(CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(OC)c1OC 779596499 WSJQQJWCJFWFAH-UHFFFAOYSA-N 438.911 5.429 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 780153837 YOIBYJOIWZZVKN-VIFPVBQESA-N 425.724 6.405 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 780154433 SBRNYPCIJWFUNN-ZDUSSCGKSA-N 432.423 5.857 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](c2cccc(C(F)(F)F)c2)C1 784488254 WLSSJZYCKSIHEN-AEFFLSMTSA-N 447.526 5.528 30 20 IKED C[C@@H](CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1c[nH]c2ccccc12 786322790 MFJYGGZUZQFQTG-WFASDCNBSA-N 427.451 6.166 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2ccc3nc(-c4ccccc4)oc3c2)cc1C#N 793717016 IEOIVDQDXIFWEJ-UHFFFAOYSA-N 426.432 5.187 30 20 IKED COC(=O)Nc1cccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C 798025817 QUZNWCJTUOGMRM-QGZVFWFLSA-N 428.492 5.595 30 20 IKED COc1cc2c(cc1F)C/C(=C/c1csc(N(C(C)=O)c3ccc(F)cc3F)n1)C2=O 798370988 DCGCZSYHLLVENY-MLPAPPSSSA-N 444.434 5.076 30 20 IKED CC1(C)CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 799386310 FMAWQXAVRXSWQF-DLLPQZIASA-N 429.564 5.544 30 20 IKED Cc1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2cccs2)c2ccccc2n1 802699566 MCDNATMAVLXODH-XMMPIXPASA-N 428.565 5.042 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cc(C#N)ccc2NC2CC2)c(Cl)c1 803319119 FBHQLRHTTHKISS-UHFFFAOYSA-N 426.904 5.385 30 20 IKED C[S@](=O)c1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 805857240 QWJFZQNYYMCNQT-HJWYETAXSA-N 449.384 5.273 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl 806680102 HYPMDFQLAHWTSA-SFHVURJKSA-N 435.742 5.292 30 20 IKED O=C(O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1ccc(-c2cncnc2)cc1F 809125790 AOYAJSCMTMMHQN-KRWDZBQOSA-N 444.306 5.762 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)c1ccc2c(c1)CCCCC2=O)c1ccc(Cl)cc1Cl 810709474 BKMDYWJZTMSEJR-DJJJIMSYSA-N 443.330 5.102 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)s1 813444627 ROECYKCSXWFZKR-ZDUSSCGKSA-N 440.352 5.421 30 20 IKED CC(=NOCC(=O)Nc1ccccc1-c1ccccc1)c1nc2ccccc2n1C(F)F 813874616 CVFPRTWJFGEYPK-UHFFFAOYSA-N 434.446 5.478 30 20 IKED Cc1sc(C2(NCc3cc(Cl)ccc3OCC#N)CCC2)nc1-c1ccccc1F 815303401 HHXZMYLQKCHGTM-UHFFFAOYSA-N 441.959 5.982 30 20 IKED Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915086112 HGUYQBJJMFWEAN-CLJLJLNGSA-N 439.559 5.434 30 20 IKED N#C[C@H](C(=O)COc1ccc(C2SCCCS2)cc1)c1nc2ccccc2s1 915099249 NUFDCTZSCYQFJG-MRXNPFEDSA-N 426.588 5.420 30 20 IKED N#C[C@H](C(=O)COCc1nc2ccccc2s1)c1nc2cc(C(F)(F)F)ccc2s1 915104856 VONFNJGDNJIGIE-GFCCVEGCSA-N 447.463 5.318 30 20 IKED COC(=O)c1ccc(COc2ccc(/C=C\C(=O)c3ccc(SC)cc3)cc2OC)o1 916133457 PZVALXCIPMGYPY-WCIBSUBMSA-N 438.501 5.272 30 20 IKED CC(=O)Nc1cccc(C(=O)/C=C\c2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)c1 916137967 YVAPXMBQTOPEPK-KHPPLWFESA-N 428.319 5.401 30 20 IKED Cc1ccc(Nc2nc(Cl)c(C=Nn3cnc4ccccc4c3=O)s2)cc1Cl 916543566 SZUKKUNXFTWXHK-UHFFFAOYSA-N 430.320 5.094 30 20 IKED Cc1ccc(Cl)c(O[C@@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 916930602 DPXIQOWOWIWISE-WCQYABFASA-N 425.699 5.070 30 20 IKED Cc1cc(C)c(C(=O)CCCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)c1 916931464 LQDWJXQCMSGLRC-QGZVFWFLSA-N 445.346 5.619 30 20 IKED C[C@H](C#N)OC(=O)c1cc(-c2cccc(Cl)c2)nc2nc(N3CCCCC3)sc12 917242111 SCFUSWCSKBNREC-CYBMUJFWSA-N 426.929 5.071 30 20 IKED N#C[C@@H](C(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1)c1nc2ccccc2o1 917510131 PQRAHGYHFZLVCT-PGRDOPGGSA-N 447.288 5.587 30 20 IKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)[C@@H](C#N)c1nc2ccccc2o1 917510245 ZGRCPYPDIQADDH-MRXNPFEDSA-N 439.302 5.356 30 20 IKED C=CCN(Cc1ccccc1F)Cn1nc(-c2cccnc2)n(Cc2ccccc2)c1=S 918180718 DEIRIRKORRMUQO-UHFFFAOYSA-N 445.567 5.309 30 20 IKED Cc1nc(COc2cccc(C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)c2)cs1 920102515 UAJMVWXYQNUADB-HXUWFJFHSA-N 429.501 5.026 30 20 IKED O=C1/C(=C/c2cn3cc(Cl)ccc3n2)CSC/C1=C\c1cn2cc(Cl)ccc2n1 920756356 YVFKRKZLRPVLQO-ACFHMISVSA-N 441.343 5.072 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CCC2)cc1 1785935062 KIHKGWKSUIVVQM-NHCUHLMSSA-N 435.955 5.127 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](CC)N(CC)CC)cc2)CCC1 1786450374 AYVRMIUDMTVOSF-GOTSBHOMSA-N 425.617 5.009 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccn(C(C)(C)C)n3)CCC2)cc1 1789452878 COEYIRYFRUECAU-NRFANRHFSA-N 434.584 5.154 30 20 IKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3ccccc3C3CC3)CCC2)cc1 1789579489 RIXUWCOJEHXGAM-OGLMXYFKSA-N 441.531 5.024 30 20 IKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)C4CC5(CCC5)C4)cc3)CCC2)c1 1792037727 SFSPYHOHQDRAKK-UHFFFAOYSA-N 441.575 5.205 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc(Cl)c3)cc2)CCC1 1792121600 MLZUWLWPJWZUQF-OAHLLOKOSA-N 445.922 5.028 30 20 IKED C=CCC(F)(F)C(=O)N1CCC2(CCCN(C(=O)[C@H](c3ccccc3)[C@H](C)CC)C2)CC1 1809162318 MDKFZLAWBOZXED-IRLDBZIGSA-N 446.582 5.259 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)C[C@@H](C)c2ccccc2)[C@H]1c1cccnc1 1812732121 ATQQYYJGKCJTKF-VBCUVWSKSA-N 445.607 5.050 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)ccnc2Cl)CC1 1823750335 HHXYQTNSVCWKFV-LJQANCHMSA-N 449.998 5.100 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCCCC2(F)F)CC1 1824645212 BDBGHEMNQUOPNQ-RTWAWAEBSA-N 438.603 5.424 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ncccc23)CC1 1828026145 XSGOJCUWBZMELF-RUZDIDTESA-N 447.623 5.461 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC)cc2C)CC1 1828827865 YBZXLVOBLGZNNS-NOZRDPDXSA-N 438.612 5.005 30 20 IKED Cc1cccc(N/C(S)=C(\C(=O)c2cc(C)n(C)c2C)[n+]2ccc(C(C)(C)C)cc2)c1 10167304 NDPWGWBABDWIRN-UHFFFAOYSA-O 434.629 5.586 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N[C@@H](c2ccccc2)c2cccs2)n1 10399595 QTWZWYSPCHJYIY-IBGZPJMESA-N 447.507 5.340 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)OCc2nc(-c3ccsc3)no2)cc1 16698639 NFVBDVUUKZQAPY-UHFFFAOYSA-N 433.514 5.319 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)nnc1-c1ccccc1OC 16863498 XSYSSVZPSVYWGU-KRWDZBQOSA-N 436.581 5.382 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1C1CC1 21140604 GTCSBAPUIBFHKK-KRWDZBQOSA-N 434.565 5.040 30 20 IKED CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)N(CCC#N)c3ccccc3)o2)cc1 22004447 QTWJLQZFATYVPB-GOSISDBHSA-N 449.580 5.010 30 20 IKED CSCc1c(C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)oc2ccccc12 22166582 IVYIPXLVZGLYSJ-QGZVFWFLSA-N 436.533 5.096 30 20 IKED Cc1nc(SCC(=O)N2CCc3sccc3[C@@H]2c2cccs2)c(C#N)c(C)c1C 29894807 ZLJHPUCCKJUDLB-OAQYLSRUSA-N 439.631 5.268 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2cccc(OC)c2)cc1 58429441 MHOVGYVIMGGFFF-UHFFFAOYSA-N 431.492 5.040 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cc(N2CCCC2=O)ccc1Cl 58788109 GIEIIUIVFSDFOZ-UHFFFAOYSA-N 447.947 5.742 30 20 IKED C=CCN(C(=O)c1cc(Cl)sc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 60538845 XPMAPKYVRPPGIQ-UHFFFAOYSA-N 440.333 5.919 30 20 IKED CSc1ccc(Cl)cc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 64848331 KJQXNCYVOKMWAK-UHFFFAOYSA-N 442.928 5.037 30 20 IKED Cc1cc(C)c(-c2csc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)n2)cc1C 111191957 ATBRAZDCPATVAB-UHFFFAOYSA-N 446.576 5.401 30 20 IKED C=CCn1c(-c2sc(NC(=O)c3sc4ccc(F)cc4c3C)nc2C)n[nH]c1=S 111199602 XOQHMDMFLGTEIH-UHFFFAOYSA-N 445.570 5.473 30 20 IKED CCN(C[C@@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)CCC2 116573909 LFTQWHHXOSYJSG-JIVYGXRASA-N 439.559 5.742 30 20 IKED N#CCCCOc1cccc(/C=C2/CCC/C(=C/c3cccc(OCCCC#N)c3)C2=O)c1 207617846 WGWQFLMXAGXTGE-GJEUYDLNSA-N 440.543 6.272 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 255951233 FHSUFBUIRJDVPR-JOCHJYFZSA-N 447.629 5.479 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(Br)cc2F)cc1 301218894 VBBFEBWZWWTNLD-UHFFFAOYSA-N 441.325 6.004 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(F)cc1C(F)(F)F 426454420 PIVXNTUTZABOCF-UHFFFAOYSA-N 428.385 5.856 30 20 IKED COc1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)cc1OCc1ccncc1 428165986 PSZFKGJUXXZWQR-UHFFFAOYSA-N 429.501 5.316 30 20 IKED C[C@@H](Sc1ccccc1)c1ccc(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 433027017 SHJPKQNQRGFCSO-XMSQKQJNSA-N 444.560 5.492 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccccc1CN(C)C(=O)c1cccs1)c1ccccc1 435599324 STTYOHXKULEITF-OAQYLSRUSA-N 433.577 5.849 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1ccccc1 435610401 JFNPPECHYRCQDC-OOWIMERYSA-N 432.589 5.965 30 20 IKED CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)C1(c2ccc(C#N)cc2)CC1 435817094 MMTWWOJWPPJWQE-UHFFFAOYSA-N 438.556 5.163 30 20 IKED C=C(C)[C@H](NC(=O)N1CCC(c2nc3cccc(C)c3o2)CC1)c1ccc(F)c(F)c1 436426236 VTDXLDULRQTGMJ-NRFANRHFSA-N 425.479 5.621 30 20 IKED Cc1cc(Sc2ccccc2)ccc1NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 437051770 ATMADOCKQZLZBZ-UHFFFAOYSA-N 445.544 5.406 30 20 IKED N#Cc1cc(NC(=O)NC[C@@H]2CCC[C@@H](O)C2)ccc1Oc1ccc(C(F)(F)F)cc1 438548737 XIXOPXPWPAYIDT-RDTXWAMCSA-N 433.430 5.042 30 20 IKED N#Cc1ccc(CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)c(Cl)c1 438815650 WMJSBTHZILCAAB-SFHVURJKSA-N 428.920 5.081 30 20 IKED CCCc1c(NC(=O)c2cc(-c3ccccc3Cl)on2)cnn1-c1cccc(C#N)c1 440070093 LXHCTQXIKQPDPS-UHFFFAOYSA-N 431.883 5.257 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3c(F)cc(Br)cc3F)c2)cc1 443886846 UYNHIEJFKNPIFD-UHFFFAOYSA-N 443.247 5.430 30 20 IKED CC(C)N(CC(F)(F)F)C(=O)CN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444728546 DVMMIABMFFWVGG-ZDUSSCGKSA-N 438.334 5.088 30 20 IKED C[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Br)s1 444787158 WBGBDIVKBXPHHR-OLZOCXBDSA-N 438.416 5.052 30 20 IKED C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1nc2ccccc2s1 460367621 BRJOUDNKFJOVNY-FQEVSTJZSA-N 426.549 5.344 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3cccc(-c4cscn4)c3)s2)cc1 463170983 OARPEEKXNWPYON-UHFFFAOYSA-N 435.559 5.078 30 20 IKED CC(C)(C)Cc1nc(-c2cccc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)c2)no1 464418648 HJDRJMZKLSYZFK-MRXNPFEDSA-N 428.414 5.229 30 20 IKED Cc1cnc([C@@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C2CC2)s1 466117910 SJZLBHLXPFKLEQ-QFIPXVFZSA-N 434.540 5.325 30 20 IKED C=CCSc1ccccc1C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 469064510 SGKDSQBDTBZIAN-UHFFFAOYSA-N 445.382 5.216 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 471102973 DRYNMSGUJJRHEI-LJQANCHMSA-N 440.503 5.603 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F 473791629 YLRXKNYWWAZYGJ-UHFFFAOYSA-N 427.430 5.207 30 20 IKED Cc1c(COC(C)(C)C)cccc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 474910896 NDPBPOZXRJXBNT-UHFFFAOYSA-N 444.600 6.726 30 20 IKED O=C(Cc1csc(-c2ccccc2Cl)n1)NCC#Cc1ccc(C(F)(F)F)cc1 477236310 HNOWVHSARVCAMX-UHFFFAOYSA-N 434.870 5.193 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CC2(CCOCC2)c2ccccc21 481431930 FDTSVHKHPLLOJB-UHFFFAOYSA-N 426.541 5.418 30 20 IKED C=CCN(C(=O)c1cccc(C(=O)N(CCC)CCC)c1)c1nc(-c2ccccc2)cs1 482271013 OSNBVUVMNFIYRK-UHFFFAOYSA-N 447.604 5.905 30 20 IKED N#CCCN(CC(F)(F)F)C(=O)c1oc2ccccc2c1CSc1ccc(F)cc1 482644359 CYDSWGPNLUYSQC-UHFFFAOYSA-N 436.430 5.782 30 20 IKED CC(C)n1c([C@H]2CCCN2CC(=O)c2cn(CCC#N)c3ccccc23)nc2ccccc21 483105238 XZLNNURVLYIDAN-RUZDIDTESA-N 439.563 5.505 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1cc(Br)cc(F)c1F 485478398 IJGLFUKLMGHFHS-NSHDSACASA-N 441.297 5.139 30 20 IKED CSc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1[N+](=O)[O-] 485746610 DMFFYGHUZQYQQS-GOSISDBHSA-N 437.908 5.878 30 20 IKED Cn1c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c(Cl)c2ccccc21 490428293 GXIQVUMVVXSBEQ-UHFFFAOYSA-N 428.879 5.208 30 20 IKED Cn1cc(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)c(-c2ccc(C#N)cc2)n1 491141236 UTQHQHVNHOXXQR-UHFFFAOYSA-N 431.927 5.133 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1Cl 497900411 USLRUBHSQOZXPY-FQEVSTJZSA-N 442.862 5.704 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@]1(Cc2ccc(Cl)cc2)CCOC1 505296632 ACPCUKHNCUMSQH-OPAMFIHVSA-N 429.973 5.115 30 20 IKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1 505831360 HNAWCTDEHOQNCW-LJQANCHMSA-N 426.442 5.183 30 20 IKED N#Cc1ccc(N2CCC(C(=O)NC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(F)c1 506757702 HZYMLBFZNDRDRR-UHFFFAOYSA-N 449.476 5.098 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1 508142081 JBCBXCYXTSFNOS-UHFFFAOYSA-N 445.544 5.067 30 20 IKED C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 508738508 GLZJBXJKAWDJEJ-HTAPYJJXSA-N 431.565 5.016 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2ccccc2F)C(C)C)cc1 509954637 KQCOFRZJSNRVMQ-UHFFFAOYSA-N 433.483 5.941 30 20 IKED Cc1cccc(-n2c(S[C@@H](C)C(=O)NC3(C#N)CCCCC3)nnc2-c2ccccc2)c1 510432061 XCPPKVQCHVHRAY-IBGZPJMESA-N 445.592 5.066 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)[C@H]1CCCN(C2CCC2)C1 511271924 XXDBIXYUGXTEJO-CTNGQTDRSA-N 432.568 5.434 30 20 IKED C=CCn1c(SCC(=O)Nc2cccc(Cl)c2OC)nnc1-c1ccc(Cl)cc1 511490769 XNBALUYXGQZDKG-UHFFFAOYSA-N 449.363 5.177 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccn(-c4cccc(Cl)c4)n3)n2)cc1 512499496 PASLDFSJZFKJMW-GOSISDBHSA-N 434.908 5.148 30 20 IKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)nnc1-c1ccncc1 513272280 PYNRUUNKQQZHEG-UHFFFAOYSA-N 445.335 5.175 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1-c1cccc(C)c1 514357241 AZESHSPFGDEREO-MRXNPFEDSA-N 426.973 5.521 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 515138860 YIHRVPLYHWYINW-UHFFFAOYSA-N 449.454 5.832 30 20 IKED COc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cs2)cc1 515540295 YWHKSSKRKSNQGG-AWEZNQCLSA-N 425.922 5.572 30 20 IKED CC(=O)c1ccc(-c2ccc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)o2)cc1 515676574 JOTPDCPDHSKRCE-UHFFFAOYSA-N 449.466 5.525 30 20 IKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)c12 516072330 GLDBGPMCCFXPAK-GFCCVEGCSA-N 447.589 5.316 30 20 IKED CN(CCOCc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 516304626 LBNBXLZOWHGMAZ-UHFFFAOYSA-N 436.899 5.079 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)n2)cc1 516714216 VKAXLLAACRXFDR-MRXNPFEDSA-N 435.486 5.432 30 20 IKED Cc1ccc2c(C3=CCN(C(=O)Nc4ccccc4SC[C@@H](C)C#N)CC3)c[nH]c2c1 517473799 QPVRKJNVBSDUBX-SFHVURJKSA-N 430.577 6.049 30 20 IKED CC(C)C(=O)Nc1ccc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 517532886 QMNZJRDZJOJXSH-UHFFFAOYSA-N 428.492 5.267 30 20 IKED COc1ccc(Cl)cc1-c1cc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)n[nH]1 517717305 IPBWPULGNSKRJI-UHFFFAOYSA-N 445.866 5.050 30 20 IKED COc1cccc(C[C@H]2CCCN2C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1 518034187 IDWWRFFCINQIQQ-HXUWFJFHSA-N 430.479 5.346 30 20 IKED Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1 518056918 SGTHGEDPZFUHKM-YWZLYKJASA-N 438.984 6.294 30 20 IKED N#C[C@@H](NC(=O)c1cc2c(F)cc(Br)cc2[nH]1)c1cccc(C(F)(F)F)c1 518321457 PIMIUIADBBTJSU-MRXNPFEDSA-N 440.194 5.083 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2cccc(Cl)c2Cl)cc1C 518912539 WYABYXOIOZVHGF-UHFFFAOYSA-N 427.335 5.317 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3SCCC#N)s2)cc1OC 519402647 VPICWMRMPUVNRP-UHFFFAOYSA-N 439.562 5.394 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 519450388 DPDDAXVSBKTLBY-SFHVURJKSA-N 443.016 5.332 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(=Cc3cccc(F)c3)CC2)cc1C 519942319 AJDBEGKEJYBCLF-UHFFFAOYSA-N 442.538 5.539 30 20 IKED Cc1ccc(CN(CC(=O)N(CCC#N)c2cccc(Cl)c2)Cc2ccco2)s1 519987952 YAYBYFGGKOYXBE-UHFFFAOYSA-N 427.957 5.252 30 20 IKED Cc1cc(CN[C@H](C(N)=O)c2ccc(C#N)cc2)ccc1Oc1ccc(Cl)cc1Cl 522376985 OZNZAJUONIYDDT-QFIPXVFZSA-N 440.330 5.282 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc4cc(F)ccc4o3)s2)c(C(F)(F)F)c1 522741533 XNJITRRNQQQBPP-UHFFFAOYSA-N 445.397 5.762 30 20 IKED COc1cc(-n2cccc2)c(Cl)cc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 523229592 SERKJFFLLLAJHP-CQSZACIVSA-N 440.837 5.374 30 20 IKED Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 524131343 OBZDFZXBHXIKCA-VQIMIIECSA-N 449.605 5.420 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@@H](C)C(C)C)nnc1-c1ccc(Cl)cc1Cl 524139666 SBSBRWWLEVSFPY-ZDUSSCGKSA-N 427.401 5.033 30 20 IKED Cc1cc2cc(NC(=O)C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)ccc2[nH]1 525854278 VTHMUFPDICCEOY-NRFANRHFSA-N 442.906 5.362 30 20 IKED N#Cc1cccc(CC(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)c1 531153763 VMAJAWPVBBEWKO-UHFFFAOYSA-N 443.890 5.627 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC(CCCn3ccnc3)CC2)c1 541237887 QDNNMNXQPNJILE-UHFFFAOYSA-N 448.954 5.533 30 20 IKED COc1cccc([C@H]2C[C@@H](C)CN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1 543285656 QQZFHDUHBPXOAA-OPAMFIHVSA-N 432.549 5.229 30 20 IKED CC(C)n1ncc2c1C[C@@H](NC(=O)c1ccc(Oc3ccccc3C#N)c(Cl)c1)CC2 551700574 HFRPKESYPURZKI-IBGZPJMESA-N 434.927 5.069 30 20 IKED COc1ccc(C[C@@H]2CCCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)C2)cc1 562105086 HVDQUOQIQCPACD-FQEVSTJZSA-N 442.519 5.241 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)c3ccnc(Oc4ccc(F)cc4F)c3)n2)c1 568589321 FWWXELYAXMJABS-UHFFFAOYSA-N 434.427 5.400 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ccccc2Cl)n1)c1nc2ccccc2n1C(F)F 589830489 LTHZOTUNKARQAW-LBPRGKRZSA-N 428.851 5.698 30 20 IKED CC(C)N(Cc1ccc(F)cc1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590979304 GDJXNCAKLACWFW-ZIAGYGMSSA-N 428.392 5.655 30 20 IKED CC(C)c1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cnn1-c1ccc(F)cc1 603764612 KFOTXBGRXGWJGX-UHFFFAOYSA-N 441.466 5.446 30 20 IKED Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc3c(c(-c4ccco4)c2C#N)CCC3)c(C)c1 603818403 IHTJSJDKBHEMHP-KRWDZBQOSA-N 431.561 5.747 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC4(CCCCC4)CC3)s2)cc1 608841763 WFWDSNRUXSKBDK-UHFFFAOYSA-N 427.599 5.280 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 608915801 VPGJIXXIHGRUAY-DEOSSOPVSA-N 442.950 6.310 30 20 IKED CCOc1ccc([C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)C(C)C)cc1OCC 608918741 OPEDIAFDBHVTSV-VWLOTQADSA-N 437.584 5.673 30 20 IKED CN(C)C(=O)c1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1Cl 609298154 LHCDLEYRLRYYQL-UHFFFAOYSA-N 437.858 5.097 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1coc(-c2cccc(F)c2)n1 609388776 JCVMBUCZUUQDIV-HNNXBMFYSA-N 441.553 5.604 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(NC(=O)c2ccncc2)cc1 609436889 IWFYOZWKJZXTBZ-QGZVFWFLSA-N 445.548 5.050 30 20 IKED CC(C)(C(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccc(Br)cc1 609508929 NFGHQDOQUWDPMJ-UHFFFAOYSA-N 441.369 5.105 30 20 IKED CC(C)NC(=O)c1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 609723565 FVKUVYCJUJIJLD-UHFFFAOYSA-N 433.895 5.394 30 20 IKED C[C@H]1CCCCN1C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 609844924 SPNROELVDBVBDP-UNMCSNQZSA-N 432.568 5.469 30 20 IKED Cc1cc(NC(=O)c2ccccc2-c2ccccc2C#N)ccc1OCCN1CCCC1 609887127 SREMZSBYBWEMKB-UHFFFAOYSA-N 425.532 5.261 30 20 IKED C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618453917 VNRMONWQOUNOAP-VWYCJHECSA-N 436.318 5.095 30 20 IKED C=CCN(C(=O)CCc1ccc(OC)c(F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 619130860 MANJFGIZIQBJJE-UHFFFAOYSA-N 441.484 5.018 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)CC1 619713346 BQYLAHZIHAIFJO-UHFFFAOYSA-N 434.499 5.101 30 20 IKED O=C(c1cc(F)c(Br)c(Cl)c1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 671753501 QPMCMHTUHPIQRH-BQBZGAKWSA-N 442.556 5.054 30 20 IKED FC(F)Oc1c(Br)cccc1CN1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 676890029 RIJYVVHBZQBLOY-DTORHVGOSA-N 442.144 5.223 30 20 IKED CO[C@H](c1ccccc1F)[C@H](C)NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 678852835 JSONFSPXOHPLSV-LGSVPQMISA-N 444.391 5.110 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cn1 727339852 VTOFHTFZHCDESZ-UHFFFAOYSA-N 444.491 5.132 30 20 IKED COc1ccccc1/C(C)=C/C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 727626661 FDKDIJSYDIRETB-XXJLXKPQSA-N 426.472 5.238 30 20 IKED N#Cc1cccc(COc2ccc(NC(=S)NCCSc3ccccc3)cc2F)c1 728175453 UWNGHGDOJUFGJI-UHFFFAOYSA-N 437.565 5.355 30 20 IKED N#CCn1c(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc2ccccc21 729769956 ZFKSGWVELNXHPI-UHFFFAOYSA-N 437.459 5.376 30 20 IKED COc1ccc2oc([C@@H](C)NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c(C)c2c1 730133966 YZKPFSXRZFWMGN-HOYKHHGWSA-N 439.515 6.288 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC=C(c2c[nH]c3ccccc23)CC1 731031630 XKVXGCOTOLJZMN-SFHVURJKSA-N 430.577 5.290 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(C2CCC2)C1=O)Nc1cccc(O)c1 731312638 NWYKBRGHUJZZRS-QFIPXVFZSA-N 445.544 5.058 30 20 IKED Cc1c(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c(C#N)c2n1CCC2 731937177 GXHNAWKQCBXTOZ-KPKJPENVSA-N 429.907 5.416 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccc(C(F)(F)F)cc1 733080393 WEGBZDFCNNOVFV-UHFFFAOYSA-N 425.336 5.412 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1cc(Cl)sc1Cl 733080830 CQKYAWDYSLDYJA-UHFFFAOYSA-N 432.258 5.762 30 20 IKED CC[C@H](C#N)Oc1cccc(CNCc2ccc(-c3ccc(Br)cc3)o2)c1 733800664 BWTRUXHWAXZKDT-LJQANCHMSA-N 425.326 5.680 30 20 IKED Cc1cnc2c(S(=O)(=O)O[C@H](Cc3ccc(Cl)cc3)C(F)(F)F)cccc2c1 734153787 PKZINIIVZPNELQ-QGZVFWFLSA-N 429.847 5.076 30 20 IKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C(C)(C)C)cc2)NC1=O 736640436 DHJLEPBEFLHQST-HXUWFJFHSA-N 439.581 5.021 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)cc1 741059514 SQYAMLWIMSGUHE-WIYYLYMNSA-N 440.330 5.504 30 20 IKED O=C(/C=C/c1ccc(F)c(Br)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1 741447782 PJUMXYOAIRTPJW-WUXMJOGZSA-N 437.330 5.201 30 20 IKED Cc1cc(CSc2ncccc2C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)no1 743797924 CIROTGLOYWTBCI-UHFFFAOYSA-N 427.485 5.428 30 20 IKED COc1ccc(/C=C\C(=O)c2cccc(O[C@H](C)C(=O)O)c2)cc1OCc1ccccc1 745021902 UMUCZKPLOPUDRC-FWFZHJKVSA-N 432.472 5.022 30 20 IKED COc1ccc(C(=O)/C=C\c2ccc(OCC(F)(F)F)c(OC)c2)cc1Br 750903765 QYXSVHSBQNJYOF-UTCJRWHESA-N 445.231 5.304 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1C#N 752192597 BOGNVCBGGWLNIZ-UHFFFAOYSA-N 444.422 5.182 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1c[nH]nc1-c1cccc(Cl)c1 755518867 PCYBJIIGBMSWFU-UHFFFAOYSA-N 445.935 5.359 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2cc(C3CCCCCC3)[nH]n2)cc1 756229731 OBLMWGPATAROOT-QFIPXVFZSA-N 441.535 5.080 30 20 IKED Sc1nnc(-c2cccc(Br)c2)n1N=Cc1ccc(Cl)c2cccnc12 760241349 MGGNSRKUMCFCSB-UHFFFAOYSA-N 444.745 5.080 30 20 IKED C=CCc1cc(C(=O)O[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc(OC)c1OC 761185527 ZJLGLANIQGPWQI-ZDUSSCGKSA-N 428.872 5.054 30 20 IKED COC(=O)C1C/C(=C/c2ccc3ncccc3c2)C(=O)/C(=C/c2ccc3ncccc3c2)C1 761486080 MGOXDOZUHIEVAN-OQRYGUKSSA-N 434.495 5.402 30 20 IKED C[C@H](OC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1cccc(C#N)c1 764614858 TVDPYWIFYPGZQL-GAJHUEQPSA-N 432.907 5.377 30 20 IKED Cc1ccccc1-c1nc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cs1 764749532 HJPSUBVKFDLKJB-UHFFFAOYSA-N 433.320 5.446 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(N4CCCC4)nc3Cl)n2)cc1 764755611 HIJJVIIIOYVXBU-CQSZACIVSA-N 428.970 5.319 30 20 IKED COC(=O)c1cc(Cl)ccc1C(=O)/C=C\c1ccc(OC)cc1OCc1cccnc1 766490414 IOSHCJCMFZPKKM-POHAHGRESA-N 437.879 5.005 30 20 IKED C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 766623039 MVLQHITVDUXECH-IINYFYTJSA-N 440.124 5.207 30 20 IKED C#CCCN(CC(F)(F)F)C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 767205631 KTPFCYWFDCDQHE-UHFFFAOYSA-N 443.252 5.274 30 20 IKED Cc1cc(Br)cc2c(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)coc12 770848106 RWQGRIDDCKFXFA-ZDUSSCGKSA-N 431.673 5.118 30 20 IKED CCOc1c(OC)cc(/C=C\C(=O)c2ccc(OC[C@H]3CCCCO3)c(F)c2)cc1OC 771100407 YIKNKMLJZDIUBL-IBHIWXBSSA-N 444.499 5.086 30 20 IKED Cc1ccccc1-c1nc(C)c(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)s1 773978305 BMGBIAFANFOIGS-HNNXBMFYSA-N 427.888 5.181 30 20 IKED N#C[C@@H]1C(CN[C@@H](c2ccc(Cl)cc2)C2CCCC2)=CC(=O)n2c1nc1ccccc12 775379238 OTBDWKNBYGGTAE-HYBUGGRVSA-N 430.939 5.398 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(C(F)(F)F)n2)cc1 775733249 ILQZUPOZIWGCGB-UHFFFAOYSA-N 428.389 5.345 30 20 IKED O=C1[C@@H](/N=C\c2c(O)ccc3ccccc23)CCCN1Cc1cccc(C(F)(F)F)c1 776726168 VHDCQJDIVBQQBN-GFYGDKIRSA-N 426.438 5.174 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)Nc1nc(-c2cccc(C#N)c2)cs1 790904034 SBFKEZHMRKERER-UHFFFAOYSA-N 448.548 5.600 30 20 IKED CC(C)(C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1[N+](=O)[O-] 796809045 UVJGHKAAZXQKON-GFCCVEGCSA-N 427.432 5.151 30 20 IKED C=CC[C@@H](NC(=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1)c1ccncc1 798414069 DKKBYHIWJDTLEV-GOSISDBHSA-N 437.437 5.268 30 20 IKED N#CC1(CCCN(Cc2ccccc2)C[C@@H](O)c2ccccc2C(F)(F)F)CCOCC1 799162594 YBLUEABNPCLQAB-HSZRJFAPSA-N 446.513 5.342 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 799398216 FUPHMZQXBGAAON-ZWKOTPCHSA-N 446.617 5.097 30 20 IKED CCc1ccc(N(C(C)=O)c2nc(COC(=O)c3cc(C#N)ccc3Cl)cs2)cc1 803833684 AVNNYCGBCTXDBG-UHFFFAOYSA-N 439.924 5.272 30 20 IKED O=C(c1sc2cccc(F)c2c1Cl)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 883978470 OFYJODAIMKLJGG-YUMQZZPRSA-N 433.776 5.897 30 20 IKED Cc1cc([C@@H](C#N)C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)nc(C)n1 915103498 YPXWJFBNWZGEKZ-OAQYLSRUSA-N 430.458 5.329 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(F)cc2F)ccc1OCc1ccc([N+](=O)[O-])cc1 916128098 KVWQTTXUYYQISR-WMZJFQQLSA-N 425.387 5.357 30 20 IKED CCOc1cccc2cc(C(=O)/C=C/c3cc4ccccc4nc3N3CCOCC3)oc12 916130632 ZFNWVEVOPDYSER-ZHACJKMWSA-N 428.488 5.112 30 20 IKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1C1CCCC1 916215837 KZDXQZHERLIXFS-FQEVSTJZSA-N 443.519 5.176 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)COc1ccccc1Cc1ccccc1 916904217 YMVVMKUFQHERKH-DEOSSOPVSA-N 440.543 5.129 30 20 IKED C[C@@H](SCc1ccccc1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916909194 PAADBOWLCSYXKZ-WIYYLYMNSA-N 430.529 5.448 30 20 IKED COCc1c(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)sc2cccc(F)c12 916917824 KBQPBVBRGLQEKY-MRXNPFEDSA-N 432.476 5.301 30 20 IKED N#C[C@H](C(=O)[C@@H]1Cc2ccccc2S1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995193 CDMNGDWGDMWLFC-KDOFPFPSSA-N 431.369 6.010 30 20 IKED N#C[C@@H](C(=O)C1=Cc2ccccc2OC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997149 RXFRYLITAMQGQK-INIZCTEOSA-N 427.312 5.769 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CCC[C@@H]2c2cccc3ccccc23)c1=S 919950528 KGGADEGZYJBFDH-HSZRJFAPSA-N 427.577 5.610 30 20 IKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3oc4ccccc4c3C)CCC2)cc1 1786372052 UAKJWEQJCPIBMQ-SFHVURJKSA-N 432.520 5.080 30 20 IKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)c3cncs3)cc2)CCC1)c1ccccc1 1787531662 HAJWHPSZGVFICW-QFIPXVFZSA-N 443.572 5.088 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CC[C@@H]3CNc4ccccc4C3)cc2)CCC1 1788067715 NWOCJRUCTWRNHU-RTWAWAEBSA-N 445.607 5.397 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccc4c3cnn4C)cc2)CCC1 1789087510 GEMOLIBUZPMWPD-UHFFFAOYSA-N 444.579 5.313 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ncccc45)CCC3)cc2)cc1 1790287777 UJHYTUKECYCILN-UHFFFAOYSA-N 446.510 5.168 30 20 IKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)sc3Cl)CCC2)cc1 1791576921 FOSFLKQVVAXRRC-SNVBAGLBSA-N 429.394 5.121 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc(NC(C)=O)c3)cc2)CCC1 1792137519 PFEOQRBPAPIBMB-XMMPIXPASA-N 445.563 5.161 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cc3ccc(F)cc3)cc2)n[nH]1 1821014983 DEXUBGMSDXBEPS-HSZRJFAPSA-N 446.526 5.022 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)c(Cl)cc3C)CC2)C1 1823701194 CINRFTZUGIBEOW-QFIPXVFZSA-N 449.422 5.501 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ncoc3c2)CC1 1828298104 QQQCADGEZQWICJ-QFIPXVFZSA-N 437.584 5.054 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cc3ccccc3o2)CC1 1831370792 PCIBCNNRQTYEKQ-PTKYAQDPSA-N 434.580 5.278 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 1831373309 BTIVXUHTBZVGAQ-IERDGZPVSA-N 437.411 5.439 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 1831789489 ZWDZLSMWMOYWDX-SDHSZQHLSA-N 436.640 5.402 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc3ccccc3c2)nnc1-c1ccc(OC)cc1 22095202 PJYIQVAVNILPIY-QGZVFWFLSA-N 444.560 5.412 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc3c(c2)CCCC3)s1 22726986 SSVOTHAMQCFWRL-UHFFFAOYSA-O 425.574 5.413 30 20 IKED C/C=C/c1ccc(OCC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c(OC)c1 31776870 OEHPWJBKYZACST-ZZXKWVIFSA-N 428.488 5.196 30 20 IKED COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(OCc3ccccc3C#N)cc2)c1 32052820 MGAAGFGCMPOTCR-VWLOTQADSA-N 442.515 5.132 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 63392798 GMACIMAGLARWTL-UHFFFAOYSA-N 436.515 5.423 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 63777196 VXGKWFWFZRDYKN-UHFFFAOYSA-N 426.476 5.047 30 20 IKED COc1ccc(C)cc1-c1csc(NC(=O)c2ccc(COc3ccccc3C#N)o2)n1 71946275 SQHZWGFTFNWBSH-UHFFFAOYSA-N 445.500 5.423 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)c1C#N 108629039 HONADFJIKQACAH-UHFFFAOYSA-N 431.565 5.173 30 20 IKED C=CCn1c(SCC(=O)CC)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 110506581 FPDFPCDRMMMDIX-UHFFFAOYSA-N 428.561 5.726 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2F)C(C)C)nnc1-c1ccccc1F 219005514 DHZCZWIGKHAIGE-LJQANCHMSA-N 428.508 5.165 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(NC[C@H]4CCCO4)c(F)c3)c2)c1 303779313 GOLAGMCIUQXDAF-HSZRJFAPSA-N 445.494 5.120 30 20 IKED Cc1cc(Oc2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)n[nH]1 426778804 BACUSAQIYXJNRX-UHFFFAOYSA-N 440.528 5.927 30 20 IKED COc1cc(Br)c(NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1OC 432917292 KZVJRRKXXDUXPY-MRXNPFEDSA-N 432.318 5.023 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ccc(Cl)cc1OCC(F)(F)F)c1ccccc1 433140405 HCELYGBCYQNHGH-INIZCTEOSA-N 425.838 5.838 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@@H](O)Cc1ccccc1 437399186 ZCVIFWZSWUNZJA-OWSXEPHWSA-N 433.939 5.109 30 20 IKED COCCc1nc2cc(NC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)ccc2o1 440366911 NWHSDDYHWOKUDH-UHFFFAOYSA-N 428.448 5.325 30 20 IKED C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)c1cccc(C#N)c1 442900174 LTMMGNYIPJOAON-VQIMIIECSA-N 429.549 5.330 30 20 IKED CO[C@@H]1CCOc2c(NC(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cccc21 448045445 RDQZNWQOFWJYAY-MZNJEOGPSA-N 427.504 5.578 30 20 IKED C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H]1c1csc(C)n1 460367526 DSAVUUUCGTUVSH-HXUWFJFHSA-N 432.553 5.283 30 20 IKED C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]1c1ccc(C)s1 460949580 ZLIVTJMMXXYAKT-GOSISDBHSA-N 440.638 5.867 30 20 IKED COc1ccc([C@@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)cc1 461512875 WKDAYWPDKALTKM-QHCPKHFHSA-N 441.560 5.277 30 20 IKED Cc1ccc([C@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)s1 461822987 BBBJKCGDZSJFPW-NHCUHLMSSA-N 433.581 5.097 30 20 IKED C[C@H](C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1)c1cccc(C#N)c1 462258463 PVRPZOWTFHQCBH-HNNXBMFYSA-N 428.879 5.689 30 20 IKED N#Cc1cc(NCc2ccc(F)c(F)c2)cc(NCc2ccc(F)c(F)c2)c1[N+](=O)[O-] 462371546 QJUJNZPGXHOQGW-UHFFFAOYSA-N 430.361 5.247 30 20 IKED C[C@@H](C(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1)c1cccc(C#N)c1 462594872 RUBDQNKERRBILS-SJKOYZFVSA-N 425.248 5.234 30 20 IKED C[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(-c2cccc(C#N)c2)cc1 463005466 APIMTMCDXFAIIU-AFWDCEBSSA-N 425.532 5.506 30 20 IKED Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 467377414 PBUPLLVYUAKSBA-INIZCTEOSA-N 449.530 5.419 30 20 IKED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(Br)ccc1F 468802730 BUPKGFWRWSODMC-CQSZACIVSA-N 430.321 5.344 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)cc1Cl 471204338 NNZSPMXTFJVBGZ-QFBILLFUSA-N 435.915 5.257 30 20 IKED N#CC(CCN1CCC(NC(=O)CC2CCCC2)CC1)(c1ccccc1)c1ccccc1 472583161 SIKVTMFKERJVDJ-UHFFFAOYSA-N 429.608 5.047 30 20 IKED C=C(C)[C@@H](NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1)c1ccc(F)c(F)c1 475673764 ISUDXJLJKSJRJA-XMMPIXPASA-N 426.463 5.125 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1 476591131 AZMLRWCEKWFYDD-UHFFFAOYSA-N 428.435 5.453 30 20 IKED CC(C)(C#N)c1ccc(C(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)cc1 477144020 ZCIZOJKNCQQNFU-UHFFFAOYSA-N 427.291 5.629 30 20 IKED Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(Sc3ccccc3C#N)cc2)c1C 479511566 LEXBBKZBYRJKNG-UHFFFAOYSA-N 429.545 5.037 30 20 IKED Cc1ccc(NC(=O)CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)c(Cl)c1 479576792 HOWIASSNIXEJOD-UHFFFAOYSA-N 435.936 5.040 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(N(C)C(=O)C(C)(C)C)cc1 479953216 GZBLHUZFXQRQCX-QGZVFWFLSA-N 439.581 5.107 30 20 IKED CCc1ccc([C@H]2COCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)o1 480632479 CJMMIXGELYHZEW-OAQYLSRUSA-N 447.491 5.120 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(C)C)nnc1-c1cccc(OC)c1 481358754 IWJGFALZNWBIGD-QGZVFWFLSA-N 436.581 5.382 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Br)nnc1-c1cccs1 481392091 KOYFPKYGPNRQJF-LBPRGKRZSA-N 449.399 5.074 30 20 IKED N#Cc1ccc(SCC(=O)Nc2nc(-c3ccc(Br)s3)cs2)cc1 482051314 GAQKGFYVFJLPFR-UHFFFAOYSA-N 436.381 5.237 30 20 IKED N#C[C@@H](C(=O)c1oc2ccccc2c1CSc1ncccn1)c1nccc2ccccc12 483204658 SGXNJJRHAJUVMV-LJQANCHMSA-N 436.496 5.553 30 20 IKED CCCCn1ncc(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1C(C)C 484174508 JADSDWPYCPSQFS-UHFFFAOYSA-N 444.539 5.575 30 20 IKED C[C@@H]1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 485322918 SIZPVCISLXSRNF-BZNIZROVSA-N 427.348 5.214 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@H](CCCC#N)c4ccccc4)cc3)o2)c1 487215428 BWKZMYKURFZSBR-XMMPIXPASA-N 436.515 5.877 30 20 IKED C=CCn1c(SC[C@H](OC(C)C)c2ccccc2)nnc1[C@@H]1COc2ccccc2O1 488302741 VPJRKUZSDBWNHF-VXKWHMMOSA-N 437.565 5.235 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)cc1 490630737 WTKVSJASLQZZRX-UHFFFAOYSA-N 441.462 5.316 30 20 IKED C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 495642864 ZLBQCNVDTGXDJM-OAHLLOKOSA-N 428.517 5.212 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2ccc(Br)cc2)n1)c1nc(-c2ccccc2)cs1 496198192 SDYJGNLXHMZGOF-KRWDZBQOSA-N 449.333 5.248 30 20 IKED N#Cc1ccc(CN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)C2CC2)cc1 498331016 YTCDUWGDXHZISE-UHFFFAOYSA-N 437.421 5.569 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2ccc(OC(C)C)cc2)cc1C 498545244 XDVRLJWZBMFFQJ-HXUWFJFHSA-N 430.552 5.359 30 20 IKED Cc1ccc([C@H](NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c2ccccc2)cc1 504862183 APYGPASBRPVDLV-AREMUKBSSA-N 427.523 5.128 30 20 IKED N#C[C@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cccc(Cl)c1Cl 505320010 IWCPCJFYPCWEIV-ZDUSSCGKSA-N 441.196 5.057 30 20 IKED Cc1ccc2c(C3=CCN(CCC(=O)Nc4sc5c(c4C#N)CCC5)CC3)c[nH]c2c1 505864857 RUSATOKANADWGV-UHFFFAOYSA-N 430.577 5.016 30 20 IKED N#C[C@@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccc(Cl)c(Cl)c1 505912232 KCLNBZIXXARQDF-QGZVFWFLSA-N 430.316 5.302 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 506801302 NCHCZVKPBYCEBY-UHFFFAOYSA-N 439.519 5.100 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)cc1 508156264 FYLGRYNGRWUZQL-RUZDIDTESA-N 426.516 5.260 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](CC(F)(F)F)C1 508954759 BTSNSJNAVPQXLL-LBPRGKRZSA-N 435.277 5.129 30 20 IKED CCN(C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)[C@H](C)c1ccc(C#N)cc1 509615140 FORNVKOBLOPLJL-HXUWFJFHSA-N 439.559 5.173 30 20 IKED CC[C@H](NC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1nc(C(F)(F)F)cs1 510937700 PIFICUKYDNYBGW-NWDGAFQWSA-N 443.388 5.745 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 511336546 YURXLIPUCSGGCG-QHCPKHFHSA-N 438.531 5.037 30 20 IKED Cc1ccccc1C1(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCOCC1 512930304 RBIHVXXIAOFBAR-QHCPKHFHSA-N 444.962 5.991 30 20 IKED CCO[C@H](c1noc([C@H](C#N)Cc2ccc(C#N)cc2)n1)c1ccc(F)cc1C(F)(F)F 516440811 LAZCKAVUOIAYBF-KXBFYZLASA-N 444.388 5.075 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)[C@@H]1CCCc2ccccc21 516748656 XPWDSLFMFWEYTC-RUZDIDTESA-N 439.515 5.134 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1 517467925 AQHQLEWCZAXLHB-LSDHHAIUSA-N 449.498 5.115 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N(Cc2ccccc2)CC2CCC2)cc1 517846399 KBJXDYIYIWMSTQ-UHFFFAOYSA-N 439.515 5.118 30 20 IKED Cc1nc(-c2cccc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)c2)cs1 519944468 KVDQTVHOQUMZND-UHFFFAOYSA-N 441.560 5.765 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(COCc2ccccc2)cc1 520197786 OZGQOVAEIJJBMP-HXUWFJFHSA-N 445.588 6.119 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H](CC)c2ccc3c(c2)OCCO3)cc1OC 520949888 VXEMKGCCJQZCIL-SFHVURJKSA-N 448.357 5.035 30 20 IKED Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1OC(F)F 522290635 GITOWXBGOGTWJN-UHFFFAOYSA-N 439.437 5.842 30 20 IKED C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C 523517906 AOXOEFDGTWVJGN-GDBMZVCRSA-N 448.430 5.121 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)c2)cc1 523708484 AUMXIHVODQBTGJ-UHFFFAOYSA-N 436.515 5.033 30 20 IKED Cc1ccc([C@@H]2CCCCN2C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 525541525 WOKSWNQGHBMSCQ-QFIPXVFZSA-N 444.535 5.085 30 20 IKED C[C@H](CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1nc(-c2ccccc2)no1 534825093 ZXIHTPJTAQMUJR-QGZVFWFLSA-N 439.475 5.326 30 20 IKED C=C(C)Cn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N1CCC2(CCO2)CC1 555222304 CAWSFAWQBMFZJZ-UHFFFAOYSA-N 441.535 5.089 30 20 IKED N#CCC1CCN(c2nnc(-c3cccc(C(F)(F)F)c3)n2Cc2cccs2)CC1 555438837 ZQISPTCXWGUYLZ-UHFFFAOYSA-N 431.487 5.204 30 20 IKED Cc1cc(C#N)cnc1-c1nc(C2(c3ccc(Br)c(Cl)c3)CCC2)no1 559993511 SVRGVTZBEYFBQQ-UHFFFAOYSA-N 429.705 5.198 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(CCn2c(C)nc3ccccc32)no1 561908600 PYDYZABDMBHPIU-UHFFFAOYSA-N 428.414 5.221 30 20 IKED C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC[C@@H](OCCC)CC1 564383499 SZHGFJDRWVINGV-HSZRJFAPSA-N 446.595 5.496 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@@H]3CCO[C@H]3c3ccc(Cl)cc3)cc2)ccn1 568144742 YSVPHVMFASXNSY-YADHBBJMSA-N 434.883 5.051 30 20 IKED C[C@@H](NCC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 569842660 LDCVACATHYNOLR-QGZVFWFLSA-N 441.453 5.060 30 20 IKED N#CCCC[C@@H](NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1 590477757 IAKIUKLPAOPWLA-HXUWFJFHSA-N 443.494 5.923 30 20 IKED Cc1ccc(Sc2ccc(NC(=O)CCc3c(C)nn(CCC#N)c3C)cc2)c(C)c1 603434857 BUNMENPHEJVSMY-UHFFFAOYSA-N 432.593 5.753 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC[C@@H](Cc2ccc(F)cc2)C1 605956509 QIIOKBVTWWLZFR-LJIGWXMPSA-N 440.403 5.309 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 608995183 BDPHRYPKXOZJJD-HXUWFJFHSA-N 434.323 5.258 30 20 IKED COc1cc(NC(=O)CNc2cccc(Oc3ccc(C#N)cc3)c2)c(OC)cc1Cl 609221218 LARGZIFTGFQTTL-UHFFFAOYSA-N 437.883 5.072 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1Sc1ccccc1C#N 609377507 WLYUMKICILNTBB-QGZVFWFLSA-N 429.570 6.214 30 20 IKED COCCN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccccc1S[C@@H](C)CC#N 609437053 MMBJJRXMGJQPMQ-HNNXBMFYSA-N 435.952 5.554 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC1(N[C@@H](C)c2ccccc2)CCCC1 609469809 NEEAQOPBPQKFQJ-PMACEKPBSA-N 436.625 5.866 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)s2)cc1 609589197 AMVYNVUUONHVBA-MRXNPFEDSA-N 432.332 5.429 30 20 IKED CC(C)n1ncc2cc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)ccc21 609763937 OCQSQUOCAZFZCF-UHFFFAOYSA-N 426.545 6.033 30 20 IKED C[C@H]1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C[C@@H](c2ccc(F)cc2)O1 610206191 YKSQCDKJWOTVHP-UUOWRZLLSA-N 446.547 5.592 30 20 IKED N#Cc1cc(Cl)c(C(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)c(Cl)c1 615490277 BVGWKLSTPJRWRF-UHFFFAOYSA-N 431.216 5.485 30 20 IKED COc1ccc(NC(=O)[C@@H](NCc2ccc(C#N)c(Cl)c2)c2ccccc2)cc1Cl 619746794 LAHGTPJENSRJCX-QFIPXVFZSA-N 440.330 5.343 30 20 IKED C[C@@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1csc(-c2ccccc2F)n1 643307135 UIRPSPSZZYXRKH-NDBYEHHHSA-N 440.428 6.509 30 20 IKED CO[C@@H](C)c1nc(C)c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1 674299603 QDDSSYJQRPUTJL-ONGXEEELSA-N 425.457 5.278 30 20 IKED O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cc(F)c(F)cc1Br 676724153 PECZPIGTUAPPAQ-UHFFFAOYSA-N 430.117 5.634 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c12 679539271 ANHNONSHEPMEMP-AWEZNQCLSA-N 446.463 5.674 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@@H](c3ccccc3)C(F)(F)F)n2)cc1 728770925 ZBFNSIYQZYAKFP-ROUUACIJSA-N 430.451 5.731 30 20 IKED C[C@H](C#N)CSc1ccccc1NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 731029116 VNRYQKWDDARLKL-GOSISDBHSA-N 444.560 5.241 30 20 IKED N#Cc1cc([N+](=O)[O-])ccc1N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 731457405 JDMXJJIUKPEWOI-XMMPIXPASA-N 447.539 5.160 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OC 733615338 OSQUMBNNAHKUHF-JOCHJYFZSA-N 445.519 5.277 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)cc1 734929366 NEXSQUGDQJPREO-BJKOFHAPSA-N 447.991 6.317 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1csc(-c2ccccc2)n1 744001220 LIVPHWBEPNEIHU-UHFFFAOYSA-N 429.295 5.062 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C(\C)c1ccccc1C(F)(F)F 744028488 IRSWWCINZYLLPY-OCKXMSAZSA-N 428.454 5.581 30 20 IKED N#Cc1c(NC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)sc2c1CCCCC2 744351789 PALMHKDTRNZGLO-UHFFFAOYSA-N 437.443 5.252 30 20 IKED CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)c1ccccc1 746172158 DYBPDONMSCGENM-RTBURBONSA-N 447.457 5.042 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2ccc(C(F)(F)F)cc2)cs1 746577510 GUXSSBQDIDKZAW-UHFFFAOYSA-N 432.471 5.909 30 20 IKED COCC[C@@H](Cc1cccc(Br)c1)C(=O)[C@H](C#N)c1nc(C(C)C)cs1 747193261 GYMHSTBSMSEZST-RDJZCZTQSA-N 435.387 5.101 30 20 IKED C=CCn1c(-c2ccncc2)nn(CNC(C)(C)c2ccc(Cl)c(Cl)c2)c1=S 747791147 FNVHBIAJRSQLMV-UHFFFAOYSA-N 434.396 5.451 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnc(-c3ccccc3Cl)s2)cc1 748003793 KKOUWURDIIYIBW-RDTXWAMCSA-N 437.952 5.938 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(Br)c3c(c2)OCCO3)cc1 748618631 KLIFKUYEOWGHSV-LJQANCHMSA-N 449.304 5.128 30 20 IKED COc1cc(/C=C\C(=O)N[C@H](CCC#N)c2ccccc2)ccc1OCc1c(C)noc1C 749034191 HOCBJLGEEVPVLI-QSMQPCCASA-N 445.519 5.054 30 20 IKED CN(C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C1CCCCCCC1 749041888 UFOTXWIVRNXNLS-QFIPXVFZSA-N 437.971 5.505 30 20 IKED C=CCC[C@@H](NC(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccc(C(F)(F)F)cc1 749818931 JCDOMYZIUJDRDJ-FOIQADDNSA-N 445.485 5.292 30 20 IKED C=CCC[C@H](NC(=O)Nc1cccc(N2CCOC2=O)c1C)c1ccc(C(F)(F)F)cc1 750329780 CKQSPXSUQOLMEZ-IBGZPJMESA-N 447.457 5.799 30 20 IKED COc1ccccc1NC(=O)c1cc2ccccc2cc1OC(=O)Cc1ccc(C#N)cc1 750392840 VEKYEOYUAYAHNS-UHFFFAOYSA-N 436.467 5.120 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2nccn2CCCc2ccccc2)cc1 751544149 TYSNXFFYYVUGIZ-AREMUKBSSA-N 449.558 5.493 30 20 IKED Cc1csc(Sc2c(Cl)cccc2NC(=O)Cc2cccc(OCC#N)c2)n1 760434591 ZQHLMVULHQSHFE-UHFFFAOYSA-N 429.954 5.340 30 20 IKED COc1ccc2c(-c3ccccc3)c(C(=O)N[C@@H](C#N)c3cccc(OC)c3OC)oc2c1 768151433 GEZNVXUTADINGO-FQEVSTJZSA-N 442.471 5.120 30 20 IKED CC(C)(C#N)CCCCOC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 768610476 XRSGJSJETZSYKK-UHFFFAOYSA-N 433.302 5.171 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 772645807 PWEYDCIZDKEMII-QGZVFWFLSA-N 449.297 5.293 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc2cc(Br)ccc2c1 772971296 JYKWMRKPOSFZCZ-OAQYLSRUSA-N 449.348 5.688 30 20 IKED CC(C)(C)OC(=O)N1[C@H](C(=O)[C@H](C#N)c2nc3ccccc3s2)C[C@@H]2CCCC[C@H]21 777292375 YXIPMKLZXRHYFN-ONIAQPFYSA-N 425.554 5.041 30 20 IKED N#CC1(COC(=O)c2oc3ccccc3c2COc2ccccc2Cl)CCOCC1 780540324 AHRMPKDSTHNZNK-UHFFFAOYSA-N 425.868 5.142 30 20 IKED COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)Nc2ccccc2O[C@@H](C)C#N)C1 780680018 DUPWXVNCNCDTFM-DLBZAZTESA-N 427.932 5.126 30 20 IKED C[C@H](NC(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1)c1ccc(-c2cccc(C#N)c2)cc1 782753859 OEKPIQDMXNZMCQ-GLYQVZKVSA-N 445.588 5.645 30 20 IKED COCc1c(C(=O)[C@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)oc2ccccc12 787054398 VEXDVSCMIJIRCB-WBMJQRKESA-N 445.302 5.086 30 20 IKED C/C(=C\C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1C(F)(F)F 787352187 BJTNVGVHKZBJSS-JQIJEIRASA-N 441.453 5.330 30 20 IKED COc1ccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)c(Cl)c1 794754114 MFXJKMSGUXALGI-UHFFFAOYSA-N 444.343 5.631 30 20 IKED C[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1 795988131 FFXGWUHHTSJOPE-FPOVZHCZSA-N 428.488 5.437 30 20 IKED COc1cccc(C(=O)CCCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 796809088 VATSFFJUKRRZLH-MRXNPFEDSA-N 440.471 5.326 30 20 IKED N#CC1(CCCOC(=O)[C@@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)CCOCC1 800163293 FQQIPOQLPNHKBR-NRFANRHFSA-N 448.346 5.757 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)c1 805112426 BDMJGLFQPOGYNL-WMZHIEFXSA-N 427.495 5.139 30 20 IKED N#CC1(OCCOC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)CCOCC1 809079751 APBMSMILCSPMCH-UHFFFAOYSA-N 434.728 5.108 30 20 IKED O=C(O[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1cc(OCC(F)F)ccn1 809326637 SCWRRIYFHSPQSP-CQSZACIVSA-N 429.263 5.205 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCN(c4ccccc4Cl)C3)n2)cc1 810549173 INYKFMAZKNHTRT-FUHWJXTLSA-N 437.952 5.175 30 20 IKED C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813219066 WHFDJUCNOASWQX-GXFFZTMASA-N 429.211 5.057 30 20 IKED N#CCOc1cccc(NC(=O)NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)c1 813843124 GINZURZCNIMGMP-HSZRJFAPSA-N 435.911 5.322 30 20 IKED CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc(C#N)c2)NC(=O)N1Cc1cccs1 840199790 MUNONSVLOVJIEU-QHCPKHFHSA-N 442.544 5.107 30 20 IKED CC(=O)N(c1nc(C=NNc2ccccc2C(F)(F)F)cs1)c1ccc(F)cc1F 916259796 LWGUBLVTGHFZEX-UHFFFAOYSA-N 440.397 5.571 30 20 IKED Cc1cccc2cc(C=Nn3c(S)nnc3-c3ccc(OC(F)F)cc3)c(Cl)nc12 916333012 AFMNXWHWJJJPCO-UHFFFAOYSA-N 445.882 5.227 30 20 IKED C[C@H](Sc1ccccc1Cl)C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916846387 SGQCWONBBDETIJ-AAEUAGOBSA-N 443.981 5.286 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)cc1 916910599 AQWHJKWEFBMNFP-IBGZPJMESA-N 439.537 5.257 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccc(Cl)cc3)s2)cc1Cl 916941306 SAFZWYALIOZBNU-HNNXBMFYSA-N 445.327 5.692 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(NC(=O)c3cccs3)c2)cc1 916956071 XOYRQBHZVZFCJS-IERDGZPVSA-N 445.544 5.475 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CCCC(=O)Nc3ccccc3)cc2)CCC1 1786110823 BIQGGQASACCULF-HXUWFJFHSA-N 447.579 5.142 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1786678113 KHEVNWQDPSPFHO-UHFFFAOYSA-N 442.701 5.091 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccnc(C(C)(C)C)c3)CCC2)cc1 1786678780 UXAHJKMECXBHLH-UHFFFAOYSA-N 437.609 5.046 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnnc4ccccc34)cc2)CCC1 1788958264 FVBMCBCKYPSQIL-UHFFFAOYSA-N 442.563 5.370 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@]3(F)CCCC=C3F)CCC2)cc1 1789455498 WCXWIYWOVLSFBF-CPJSRVTESA-N 428.523 5.635 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@H]4c5ccccc5S[C@H]43)CCC2)cc1 1791249741 ABQKTUAKPJIXOU-AZIXLERZSA-N 432.589 5.221 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc(OC)ccc3Cl)CCC2)cc1 1791300886 HHSNSIJRKLQADF-UHFFFAOYSA-N 448.897 5.308 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCC2CCCC2)[C@H]1c1cccnc1 1806205647 YYRKMLFXPZYJEW-LADGPHEKSA-N 425.617 5.050 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2sccc2Cl)[C@@H]1c1cccnc1 1811087348 AVEMKECYWIMAHN-HKUYNNGSSA-N 446.016 5.109 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3cc(C)[nH]c23)n[nH]1 1818649654 ZCTODHXYEVVJTK-OAQYLSRUSA-N 447.583 5.498 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)s2)[nH]n1 1819303687 MTJAGQJNAUFSMB-GDBMZVCRSA-N 432.977 5.199 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc(CCCCC)s2)n[nH]1 1821692235 DEUDBXYKKTUHCC-AEFFLSMTSA-N 443.617 5.117 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccccc3o2)CC1 1828827978 ASXIQEFFQRERID-GOTSBHOMSA-N 434.580 5.435 30 20 IKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCC3CCC3)CC2)c1Cl 1829685423 FWCVQKIQGOVIHO-JOCHJYFZSA-N 442.003 5.025 30 20 IKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 1831849713 CETMHSZGBXXHPM-OAQYLSRUSA-N 440.584 5.077 30 20 IKED CCOc1ccc(-n2c(SCC(=O)Nc3sccc3C#N)nc3ccccc32)cc1 9022645 GABQFBRPFJQMLJ-UHFFFAOYSA-N 434.546 5.088 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(Br)cc2)nnc1-c1ccccc1 9447879 CPRGECDHFRNYHB-AWEZNQCLSA-N 428.355 5.257 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2ccc(Cl)cc2)cc1 10832207 GUBORWPOHRBRBD-UHFFFAOYSA-O 438.016 6.166 30 20 IKED CCc1cccc(C)c1/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)S1 16939088 HLLJWIDFIGNNBT-INIZCTEOSA-N 449.548 5.120 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)CSc3ccc4ccccc4c3)s2)cc1 18183529 SMSLXRPCELARRZ-UHFFFAOYSA-N 448.598 5.586 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1-c1cccnc1 18405283 XSMKXLMVYLQDDC-GOSISDBHSA-N 441.560 5.312 30 20 IKED Cc1ccc(-n2c(SC[C@H](C#N)CCC#N)nc3sc4c(c3c2=O)CCCC4)cc1 24087402 ONXAXGSTPWXKRT-INIZCTEOSA-N 434.590 5.170 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3cccs3)no2)nnc1-c1ccc(Cl)cc1 26037521 HORIMDKFDUQZQG-GFCCVEGCSA-N 429.958 5.749 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2cc(Cl)ccc2Cl)C(C)C)nnc1C1CC1 32324832 KQJXWCGLMGRARK-INIZCTEOSA-N 425.385 5.404 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1 58431079 FKPXAPDKWUCGNH-UHFFFAOYSA-N 438.578 5.155 30 20 IKED CCCCN1C(=O)c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cc2C1=O 60477482 IGXAJIPXMJPDRB-HXUWFJFHSA-N 443.528 5.005 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(OCc2ccccc2)cc1 78665560 VEMPOOFDGXMHHH-IBGZPJMESA-N 432.545 5.677 30 20 IKED N#CCCSc1ccccc1NC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 78668475 WXHHKAQGNJQXIN-UHFFFAOYSA-N 431.546 5.254 30 20 IKED C=CCN(Cc1csc(CC(=O)Nc2ccc(C)cc2)n1)Cc1ccc(Cl)s1 98081236 CBBJLZYYCPEYLD-UHFFFAOYSA-N 432.014 5.536 30 20 IKED N#C[C@H](C(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)Nc1ccc(Cl)cc1Cl 113144699 RICQUNQWKOLACH-MRXNPFEDSA-N 445.277 5.673 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)nnc1-c1cccc(Cl)c1 216421539 ZPIISKAIYHOUDN-HNNXBMFYSA-N 440.956 5.106 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1 303130207 KEHBGEIGJDZDQM-UHFFFAOYSA-N 434.455 5.526 30 20 IKED COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 409497105 CRNLLHUBNPHWLF-IRLDBZIGSA-N 444.487 5.119 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(OCC(F)(F)F)c(Cl)c3)cc2)nc1 410398837 SAUBVLJCAUGVGL-UHFFFAOYSA-N 447.800 5.592 30 20 IKED CC(C)(C)c1csc(C2CCN(C(=O)c3cnn(CCC#N)c3-c3ccccc3)CC2)n1 429981025 FATQBMHFLDTQAC-UHFFFAOYSA-N 447.608 5.238 30 20 IKED Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)CCCC(=O)Nc1ccccc1C#N 432712628 BANDNTGHELIOSI-JOCHJYFZSA-N 431.561 5.137 30 20 IKED C=CCC(C)(C)CNC(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1 432917796 QWXYQRFEDGZGTR-UHFFFAOYSA-N 433.911 5.464 30 20 IKED COc1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1OCc1cccnc1 434903360 JBQNUWBACGIKBW-UHFFFAOYSA-N 440.503 5.180 30 20 IKED N#CCc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2O)cc1 436629900 LRDGDIHAFNMBGO-UHFFFAOYSA-N 440.286 5.270 30 20 IKED Cc1ccc(C2(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CCOCC2)cc1 437457931 BSRHTSRWNZHFMQ-UHFFFAOYSA-N 430.479 5.485 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)Nc3cccc(OC4CCCC4)c3)cc2)c1 437542879 VFWABQHNKAKSFT-UHFFFAOYSA-N 441.487 5.249 30 20 IKED CCn1c([C@H]2CCCN2CC(=O)Nc2ccccc2SC[C@H](C)C#N)nc2ccccc21 437651809 FRLNTKMCNLLMGS-XMSQKQJNSA-N 447.608 5.084 30 20 IKED CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)s1 437959294 DWEWAZUPKIZYDA-SFHVURJKSA-N 448.592 5.998 30 20 IKED CN(Cc1nccn1Cc1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 438054404 CLSOWWQUGPOXIY-UHFFFAOYSA-N 437.503 5.259 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC(Cc3ccccc3Cl)C2)cc1 438633276 NCFKWZDYFOHYGN-UHFFFAOYSA-N 445.950 5.691 30 20 IKED C[C@H]1C[C@H]1[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1 442380904 MBHYRNUBHIQFOA-QKSJRXBFSA-N 441.984 5.044 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)Nc1ccc2ccoc2c1 443660605 ZIUNWHNWIFIDLE-UHFFFAOYSA-N 433.411 5.035 30 20 IKED COCCN(C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccc(C#N)cc1 460367766 WNWCNKTYNMHUCT-UHFFFAOYSA-N 441.409 5.058 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC[C@@](C)(OC)CC1 460959394 NNXYYYVSYMBKKC-HHHXNRCGSA-N 446.595 5.496 30 20 IKED Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 461228542 WAYDZSYVYQDORA-UHFFFAOYSA-N 434.805 5.317 30 20 IKED CCOc1ccc(NC(=O)CNc2ccc(Oc3ccccc3C#N)c(F)c2)cc1OCC 463226195 VXZQSFLLUXQRLF-UHFFFAOYSA-N 449.482 5.338 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 464860007 YVACAFDNGZPLIV-UHFFFAOYSA-N 439.515 5.150 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCCc2nnc(-c3ccccc3)o2)c1 467613702 NFHIXKMXTQPLAB-UHFFFAOYSA-N 444.878 5.026 30 20 IKED Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)o1 470544908 ANZJYFOBQIIRNG-HTAPYJJXSA-N 434.540 5.176 30 20 IKED CC(C)c1oc([C@H]2CCCN2Cc2nnc(-c3cccc(C#N)c3)o2)nc1-c1ccccc1 471180797 AXTDHWDSDYOKQA-OAQYLSRUSA-N 439.519 5.724 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 477890879 MHERQXVQHHEZSI-INIZCTEOSA-N 441.984 5.079 30 20 IKED COc1cc(C[S@](=O)[C@@H](C)c2cccc(Cl)c2)ccc1OCc1cccc(C#N)c1 479974743 JGCQXBRXOQMQRT-ZOKDDAQRSA-N 439.964 5.809 30 20 IKED Cc1c([C@@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C(C)C)oc2ccccc12 483220999 DLXYJCCITNWTHA-ZHRRBRCNSA-N 449.576 5.588 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(Br)cc2)nc1)c1cnc2ccccc2n1 483222857 CKQXYSMFLZHKDM-QGZVFWFLSA-N 445.276 5.070 30 20 IKED N#CC1(c2ccc(C(=O)Nc3c(Br)cc(F)cc3Br)cc2)CC1 484168541 VMUUNCJLVZKDRR-UHFFFAOYSA-N 438.094 5.158 30 20 IKED CCc1c(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cnn1C(CC)CC 484191373 KSLWNWORXRAISG-UHFFFAOYSA-N 445.567 6.096 30 20 IKED Cc1cc(C)c(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1Br 486358379 CSKNVFNJJHIHIC-UHFFFAOYSA-N 428.330 5.013 30 20 IKED C[C@H](NC(=O)CSc1nc(C(F)(F)F)ccc1C#N)c1ccc(Cl)c(Cl)c1 488794231 DGUFISVZVOULAR-VIFPVBQESA-N 434.270 5.248 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccn(-c4ncccc4C(F)(F)F)n3)c2)cc1 489366491 KERCRCLNYJJTCO-UHFFFAOYSA-N 449.392 5.202 30 20 IKED CC(=O)Nc1ccc(-c2noc(-c3ccc(F)c(C(F)(F)F)c3)n2)cc1C(F)(F)F 499600053 MYFRAQARULCFJV-UHFFFAOYSA-N 433.283 5.539 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(OC(C)C)cc2)nnc1-c1ccc(Cl)cc1 500044900 VRBWTUZFVARHMM-UHFFFAOYSA-N 442.972 5.303 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)NCc1ccc(C(F)F)cc1)c1ccc(C(F)(F)F)cc1 503033105 YYJTZUVXXMPUAX-GOSISDBHSA-N 440.412 5.083 30 20 IKED CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(SCC#N)c1 503773568 ASXAGBNUEHOELD-UHFFFAOYSA-N 426.929 5.056 30 20 IKED CCCCn1c(SCC(=O)N2CCC(C)(C#N)CC2)nc2cc(C(F)(F)F)ccc21 509400706 CKTZULSXYOMTHB-UHFFFAOYSA-N 438.519 5.100 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 510245172 VRYYTMLMBZHMHT-UHFFFAOYSA-N 439.431 5.005 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(c2ccccc2F)CC1 510889885 KDLUETVRWKTGFD-UHFFFAOYSA-N 430.483 5.152 30 20 IKED COc1ccc([C@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1F 511354500 YFLFZMDTCLMEIP-KRWDZBQOSA-N 433.483 5.362 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)c1 513244282 QJNXHIKIKBMNIU-UHFFFAOYSA-N 448.482 5.037 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 514220490 YCLNMPZVVVZSBG-OAQYLSRUSA-N 428.454 5.332 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2sccc2Br)cc1Cl 514575953 RZDAIRLBBYWJBR-HNNXBMFYSA-N 431.742 6.072 30 20 IKED Cc1nc(CSc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cc2)cs1 516331418 OFJTULDERTXOIG-LJQANCHMSA-N 448.598 5.752 30 20 IKED Cc1c(Cl)cccc1NC(=O)CCNC(=O)Nc1ccccc1S[C@@H](C)CC#N 518755879 PYXKMNPSXXDSLN-AWEZNQCLSA-N 430.961 5.193 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@@H](C)c1nc(-c2cccs2)no1 519415360 KPBNRHVXADDURP-KBPBESRZSA-N 444.607 5.625 30 20 IKED Cc1cc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)ccc1NC(=O)CC(C)C 519847489 JSQKOTGVPAJDEF-UHFFFAOYSA-N 428.492 5.291 30 20 IKED C=CCN(CC(F)(F)F)C(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 520167567 CINCHDUZZUGSCF-UHFFFAOYSA-N 427.879 5.298 30 20 IKED C=CCOc1ccccc1CN[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 520388311 MBCKCXCFAJCGOX-DEOSSOPVSA-N 436.939 5.383 30 20 IKED COc1ccccc1CCN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 520605073 DSQJORXVMQKAMM-UHFFFAOYSA-N 449.938 5.506 30 20 IKED COc1ccccc1N1CC[C@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 520941187 FPJDKQZYCJHOOJ-HXUWFJFHSA-N 442.519 5.007 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(CSC4CCOCC4)c3)cc2)nc1 522478925 UZAWRSYPNXQGHY-UHFFFAOYSA-N 445.544 5.410 30 20 IKED Cn1cnnc1-c1cccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 522572407 VMENPITYBFRZLN-UHFFFAOYSA-N 429.867 5.052 30 20 IKED C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 522844184 JEJKPRGZTGTHNE-RTWAWAEBSA-N 432.568 5.469 30 20 IKED C=CCN(C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1nc2c(s1)CCCC2 523102593 RWLPKVWBRLLQOA-UHFFFAOYSA-N 432.471 5.059 30 20 IKED Cc1ccccc1C(C)(C)CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 523695986 GBMXHTFVXVQBMC-UHFFFAOYSA-N 427.548 5.739 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@@](C)(c2ccccc2)C1 531596732 ZGMFLSJCIOYYMF-AREMUKBSSA-N 427.504 5.439 30 20 IKED N#CCc1ccnc(NC(=O)Cn2c(-c3cccc(Cl)c3Cl)nc3ccccc32)c1 531670861 KOCHZIWELUUFAW-UHFFFAOYSA-N 436.302 5.110 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccnc(SCC(F)(F)F)c3)n2)cc1 541717549 BCDZXYIXMYOAFS-HNNXBMFYSA-N 433.480 5.658 30 20 IKED CN(Cc1ccccc1)Cc1cccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c1 543211013 SFKKORDHNVSTGH-NRFANRHFSA-N 444.485 5.553 30 20 IKED N#Cc1ccccc1OCc1ccc(-c2nc(Cc3nc4ccccc4n3C(F)F)no2)o1 546325563 IRIAWFTWUHBXDF-UHFFFAOYSA-N 447.401 5.116 30 20 IKED N#Cc1ccc(Oc2ccc(-c3nc(Cc4coc(-c5ccc(F)cc5)n4)no3)cc2)nc1 547007423 VJTQLBCUFCRRPS-UHFFFAOYSA-N 439.406 5.180 30 20 IKED C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCCC2(CCOCC2)C1 549271021 ZEPQKOLTCHWCMF-UHFFFAOYSA-N 433.021 5.197 30 20 IKED Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 551448673 OEVMMDGNZHNCIL-SFHVURJKSA-N 446.576 5.175 30 20 IKED N#C[C@@H](C(=O)c1csc(C(F)(F)F)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 551507879 WYFLNYXYEGWSHV-VIFPVBQESA-N 448.278 6.082 30 20 IKED CN(Cc1ccc(OC(F)F)cc1)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 552700068 OJMNGDZDSXADND-UHFFFAOYSA-N 447.913 5.078 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3nc(-c4ccccc4Cl)n[nH]3)cc2)cc1 554140831 MTCXHEOBWLCVAX-UHFFFAOYSA-N 429.867 5.236 30 20 IKED C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)Nc1ccccc1S[C@H](C)CC#N 569582464 UTKKIBOVIIVFAA-JKSUJKDBSA-N 435.515 6.195 30 20 IKED Cc1c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cnn1-c1ccc(Cl)cc1 576406807 LSIGHBWDQFHZDT-UHFFFAOYSA-N 432.867 5.130 30 20 IKED N#Cc1ccc(SCc2nc(-c3ncoc3-c3cccc(C(F)(F)F)c3)no2)cc1 581278355 XKCZEJIQESBLEW-UHFFFAOYSA-N 428.395 5.574 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@@H](c4cc5ccccc5[nH]4)C3)cc2)ccn1 589365253 CVDFHDPVLYRAHA-LJQANCHMSA-N 437.503 5.638 30 20 IKED CCc1c(C)sc(NC(=O)c2cccc(COc3ccc(CCC(C)=O)cc3)c2)c1C#N 590022824 YNKVVPJBJNFTMS-UHFFFAOYSA-N 446.572 5.844 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)NC1(c2ccc(F)cc2)CCC1 590855210 JZPZDDYYJXDLKC-CHWSQXEVSA-N 426.376 5.414 30 20 IKED C=CCN(C(=O)c1nc(-c2ccccc2)oc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603459402 XNXMXCBGKNXOSY-UHFFFAOYSA-N 446.488 5.515 30 20 IKED C=CCn1c(S[C@@H](C)c2ccc(C(=O)OC)o2)nnc1-c1ccc(Br)cc1 603562678 GAFXETTYFURTNT-LBPRGKRZSA-N 448.342 5.127 30 20 IKED Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603622348 UAWPAQBKSPIQFL-UHFFFAOYSA-N 430.851 5.615 30 20 IKED Cc1ccc(C)c([C@H](C)N(C)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 604500501 MSMRBIBXCBLSPB-INIZCTEOSA-N 437.594 5.544 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)c1csc(-c2cc(Br)cs2)n1 609358486 SPOOTDUVTCFVOR-UHFFFAOYSA-N 435.372 5.315 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H](C)c1ccccc1Br 609385234 FYQMGSYFIHJUDY-JKSUJKDBSA-N 446.414 5.332 30 20 IKED COc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc(OC)c1Br 609427761 JJOGDTALQBTGIZ-GFCCVEGCSA-N 435.343 5.113 30 20 IKED COC(=O)C[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(SC)cc1 609435464 PNCREOBBHUKNCK-KXBFYZLASA-N 443.594 5.229 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)CC1 609508677 HVKGOSAEGSXLNY-JSRAGOMMSA-N 428.454 5.187 30 20 IKED Cc1ccc(C[C@H](NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c2ccccn2)cc1 609687160 NSCVRVSNBXGNGO-SANMLTNESA-N 426.564 5.413 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc3c(c2)NC(=O)CS3)c1 609722085 ASEALOGOTRUOCI-UHFFFAOYSA-N 435.892 5.300 30 20 IKED CCC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 613344239 BYEMSGWXBRFXMK-MRXNPFEDSA-N 444.343 5.955 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)c1sc(COc2ccc(F)cc2)nc1C 615080877 XUIMMZGMYRDKID-UHFFFAOYSA-N 426.513 5.007 30 20 IKED N#CC1(CCC[S@@](=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCOCC1 619589497 HJUZSXUFCVUOCE-MUUNZHRXSA-N 436.404 5.932 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@H]1C[C@H](c2ccc(F)cc2)C1 644968052 ZHXOGLCFUOHKPO-NQPNPBMCSA-N 426.376 5.280 30 20 IKED CC[C@@H](NC(=O)NCc1cc(F)c(C(F)(F)F)cc1F)c1nc(C(F)(F)F)cs1 672595795 HAZHBGVYHQLTFP-LLVKDONJSA-N 447.351 5.409 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccc(Cl)c3ncccc23)nnc1-c1ccco1 675734400 PSIKETJXACFTLL-UHFFFAOYSA-N 439.928 5.047 30 20 IKED N#C[C@H](C(=O)c1cnc2ncc(Br)cc2c1)c1nc(-c2ccccc2)cs1 682012928 YDYNKVACAYQJBF-MRXNPFEDSA-N 435.306 5.006 30 20 IKED O=C(c1cc2ccccc2n1CC(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 683734623 ISJIEUFILTXCAY-TXEJJXNPSA-N 446.313 5.407 30 20 IKED Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C=Nn1cnnc1-c1ccccc1 725855775 GMOJPPUEYDZBQE-UHFFFAOYSA-N 438.466 5.253 30 20 IKED N#C[C@H](C(=O)Cc1cccc(Br)c1)c1nc2cc(C(F)(F)F)ccc2s1 726322194 HFKCOTRGUGCAFA-CYBMUJFWSA-N 439.256 5.497 30 20 IKED COc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc2c1O[C@H](C)C2 727997226 VPOZUHVEKKJTEY-QGZVFWFLSA-N 428.488 5.030 30 20 IKED Cc1cc(C)c(NC(=O)CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(Cl)c1 728200599 LAJOGSSXKVZVSD-UHFFFAOYSA-N 437.902 5.597 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccc(O)cc2)Cc2ccco2)cc1 729553801 WDQQEVYTBYUDOZ-SANMLTNESA-N 437.499 5.875 30 20 IKED FC(F)(F)c1cccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)c1 730584680 XWCOMITXHLBDHB-UHFFFAOYSA-N 447.269 5.354 30 20 IKED CN(C(=O)OC(C)(C)C)C1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 730664433 IXFKGONLTSEJMD-HSZRJFAPSA-N 448.567 5.205 30 20 IKED COc1ccc(OC)c(NC(=S)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 730954571 DBRDWGIJBCMWIZ-UHFFFAOYSA-N 441.500 5.537 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(Cl)nc2ccccc12 731065866 NWKLXXTYHFMAAZ-AWEZNQCLSA-N 439.924 5.078 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 732596338 QOAIVAQGUHRUAI-BDTNDASRSA-N 444.918 5.370 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2ccc(Oc3ccccc3)c(F)c2)c1 733802744 AUZANWSNPXZDJR-NQIIRXRSSA-N 447.510 5.859 30 20 IKED C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1cccc(COc2cccc(C#N)c2)c1 734323686 WXKGTYRCRVVHHJ-BVFVYWQFSA-N 426.516 5.128 30 20 IKED O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741844329 TVAUOXMCIYDENT-YRNVUSSQSA-N 438.398 5.318 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@H]2c2cccc(C)c2C)c1=S 742153506 QWDSUSQXWRWPBI-JOCHJYFZSA-N 434.609 5.687 30 20 IKED C=CCOc1ccc(/C=C\C(=O)NCCc2nc(-c3ccccc3)c(C)s2)cc1OC 742184036 YFEWUQMBNNAYCX-QBFSEMIESA-N 434.561 5.064 30 20 IKED COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 746661330 YRUNIRKQBZWZMX-CLJLJLNGSA-N 425.532 5.892 30 20 IKED C[C@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(C#N)cc1 748679974 MRUSNAKNIQNGEJ-AWEZNQCLSA-N 447.413 5.006 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(OC(F)F)c(OC)c2)ccc1OCC(F)(F)F 750901229 PTQDFJLHXJXAGM-UTCJRWHESA-N 432.341 5.142 30 20 IKED Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C\c1ccc2c(c1)nnn2C 751033498 ZXVZPWZUXAOFGR-NTMALXAHSA-N 439.338 5.059 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cc1C#N 752237071 ZDTTZFZOKAAXLV-UHFFFAOYSA-N 427.892 5.024 30 20 IKED O=C(NOCc1ccc(C(F)(F)F)cc1)Nc1ccc(OC(F)F)cc1OC(F)F 755917303 VVDQZVUPACLILI-UHFFFAOYSA-N 442.287 5.162 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)cc1 757624633 GHKGSSMWAQTKNB-URXFXBBRSA-N 439.584 6.092 30 20 IKED N#Cc1ccc([C@@H](O)CSc2nnc(Nc3ccc(SC(F)F)cc3)s2)cc1 763233796 VONXFBHGTTWUGF-HNNXBMFYSA-N 436.534 5.294 30 20 IKED C=CCn1c(-c2ccccc2C)nn(CN(C)Cc2csc([C@H](C)OCC)n2)c1=S 765037936 QZVMAUSORKRVQN-KRWDZBQOSA-N 443.642 5.219 30 20 IKED C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1 765987566 KFIXHIIAHPOEIM-ROUUACIJSA-N 432.967 5.330 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 767761066 ANWHQTYETWNJIZ-RDJZCZTQSA-N 433.499 6.121 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(Cc3ccc(O[C@@H](C)C#N)cc3)C2)n1 775205461 HXWVWTMICOKJBZ-ICSRJNTNSA-N 433.577 5.489 30 20 IKED CC[C@H](NCc1ccc(OC)c(O[C@@H](C#N)CC)c1)c1cc(Br)ccc1O 775521126 RETHIOSIADNLLQ-AEFFLSMTSA-N 433.346 5.085 30 20 IKED C[C@@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 777176025 DRWGGVCWDODZRZ-GFCCVEGCSA-N 428.275 5.517 30 20 IKED CC(=O)N1CCC(=NNc2nc(C)nc3sc(-c4ccccc4)cc23)c2ccccc2C1 778538411 LCJKLCAQTDHXRQ-UHFFFAOYSA-N 441.560 5.235 30 20 IKED C=CCN(C(=O)c1cn(C(C)(C)C)nc1Br)c1nc(-c2ccccc2)cs1 779728515 VCBMYQGYDOCJDE-UHFFFAOYSA-N 445.386 5.357 30 20 IKED COc1ccc(/C=C/C(=O)c2ccc(C#N)cc2F)cc1OCc1ccc([N+](=O)[O-])cc1 781107802 KQYMKVVWZDAJFO-BJMVGYQFSA-N 432.407 5.089 30 20 IKED COc1ccc(/C=C\C(=O)c2ccc(NC(C)=O)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 781551593 MDPLXJCOHNUCKR-ACAGNQJTSA-N 446.459 5.037 30 20 IKED COc1cc(Br)ccc1CCC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 782583203 OXBHDRJZPGBWAM-CQSZACIVSA-N 448.267 5.012 30 20 IKED C=CCC[C@H](NC(=O)Nc1cc(N2CCNC2=O)ccc1C)c1ccc(C(F)(F)F)cc1 786238915 CYZBULVQFPAWJS-IBGZPJMESA-N 446.473 5.372 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 786307737 BJLAXUKUBYHHRP-BRWVUGGUSA-N 436.920 5.645 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 787433304 KELIMNMSDMYYQR-UZUQRXQVSA-N 431.923 5.962 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 788348167 HHHVYXXVNIXTTE-BPUTZDHNSA-N 446.450 5.312 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1nccc2ccccc12 792091072 IWOORXLXTOTIOY-LJQANCHMSA-N 437.446 5.796 30 20 IKED COc1ccc(NC(=O)[C@@H](OC(=O)C[C@@H](CC#N)c2ccccc2)c2ccccc2)cc1 795981074 LHZRNHOXXASXOC-BWKNWUBXSA-N 428.488 5.006 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2cc(Cl)ccc2C(F)(F)F)cc1C#N 806665377 BADRFOUNQRYOAI-UHFFFAOYSA-N 426.782 5.443 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@H]1COC(=O)NC1CCCC1 809877820 RLZIXEJSLLVDCL-HKUYNNGSSA-N 444.601 5.136 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@H]1c1noc(-c2ccc(OCc3ccccc3C#N)cc2)n1 904697536 DPDYXCCVIWEOLB-NRFANRHFSA-N 446.507 5.259 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(-c2nc(C3(NC(=O)OC(C)(C)C)CC3)no2)cc1 904991421 CXZIICQXGXSNHE-UHFFFAOYSA-N 432.480 5.223 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Br)cc1 915351426 BNLUYNXVGOGXES-AOMKIAJQSA-N 434.337 5.987 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)cc1OC 916084311 QIUDYBMXODBQNI-QINSGFPZSA-N 442.515 5.473 30 20 IKED Cc1ccc(/C=C\C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)c(Br)c1 916916630 YGHXCGFYEQXRIH-YAINUAMHSA-N 433.305 5.272 30 20 IKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1csc(-c2ccc(F)cc2)n1 916945058 REQKSVZNRVPFIZ-HNNXBMFYSA-N 434.279 5.217 30 20 IKED Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917047446 XNWZNYLSQFFADH-MJGOQNOKSA-N 439.968 5.279 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2OCC(F)(F)F)cc1 918034716 WITGDEBWJHHDSO-NRFANRHFSA-N 439.437 5.605 30 20 IKED C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 918414361 BIZZPBVKWOIGQC-SBUREZEXSA-N 431.923 5.154 30 20 IKED COc1ccc(-n2c(C)cc(C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)c2C)cc1 920105912 MXFZCFKKFMAIMX-QFIPXVFZSA-N 425.488 5.098 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cccc(-n2nccc2-c2ccccc2)c1 920325094 YKMKCGOFMBCGPM-FQEVSTJZSA-N 440.890 5.154 30 20 IKED Cc1cncc(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)c1 1789508831 OWVZTTLPTOLYQU-UHFFFAOYSA-N 447.655 5.189 30 20 IKED Cc1c(Cl)cccc1C(=O)NC1(c2ccc(NC(=O)C/N=C/c3ccco3)cc2)CCC1 1789574147 STULAUXBKRLLTM-JFLMPSFJSA-N 449.938 5.108 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@@H]4c4ccccc4)CCC3)cc2)c1 1790258051 BDJUFJONWOSVOW-RPBOFIJWSA-N 435.527 5.110 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccccc3C3CC3)cc2)CCC1 1792087506 LEXIWHLNRQJYMP-SFHVURJKSA-N 433.552 5.113 30 20 IKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)/C=C\c4c[nH]c5ccccc45)CCC3)cc2)CCC1 1792227779 XYVWLTYGRNBCRT-GHXNOFRVSA-N 438.531 5.009 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(F)cc3Cl)C2)CC1 1806550465 HWMZEFUSJTVNML-UHFFFAOYSA-N 449.010 5.245 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C(C)=C/c2ccc(C)o2)[C@@H]1c1cccnc1 1810409170 JFHFOQNPGVJPJL-HEMBGHPDSA-N 449.595 5.085 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ccncc23)n[nH]1 1821416379 ZPTMJMQAFSUTRE-QFIPXVFZSA-N 445.567 5.256 30 20 IKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCCC(C)(C)C)CC1 1824960340 KCAQBQCIVRSPDF-QFIPXVFZSA-N 436.706 5.522 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc(C(C)C)cs2)CC1 1825383278 MINMAHAPHGEGKZ-JOCHJYFZSA-N 443.657 5.268 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2C(F)(F)F)CC1 1829939348 LWZQYMAOSGQYDX-UWJYYQICSA-N 436.518 5.151 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccoc23)CC1 1830990405 QRAJCYIBCGUSKK-LADGPHEKSA-N 434.580 5.435 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3[nH]c(C)cc3c2)CC1 1831034837 LQZNFBNCUOMGTB-VWLOTQADSA-N 449.639 5.702 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(OC)c2F)CC1 1832752594 IRANZQDFBQESGN-OAQYLSRUSA-N 444.591 5.060 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccccc2OC)cc1 10118310 ZNYPPXUSVCBLHQ-UHFFFAOYSA-O 433.597 5.719 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N[C@@H](C)c2ccc3ccccc3c2)n1 10399427 WTEUFWZMJRUXFZ-AWEZNQCLSA-N 429.467 5.403 30 20 IKED C=CCN1C(=O)c2ccccc2N[C@H]1c1csc(-c2cccc(Br)c2)n1 19356816 CGAYLITYTNSZTG-GOSISDBHSA-N 426.339 5.325 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)nnc1-c1ccoc1C 23519335 GYEWKAKCTUCQMJ-UKRRQHHQSA-N 430.961 5.044 30 20 IKED C=C(C)CN/C(S)=C(/C(=O)c1sc2ccccc2c1C)[n+]1ccc(C(C)(C)C)cc1 27310193 MKPOWFCKSYLAQP-UHFFFAOYSA-O 437.654 5.899 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2CSc2nc(C)cs2)cc1 29648378 FXDDFNCDZDPRFK-UHFFFAOYSA-N 438.578 5.304 30 20 IKED C=CCn1c(S[C@@H](C)c2nc3ccccc3n2C(F)F)nnc1-c1ccc(F)cc1 30635697 FYEZWTIXRSFCAU-ZDUSSCGKSA-N 429.471 5.868 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2Br)cc1Cl 46861778 STGDRGWAQWHATK-GOSISDBHSA-N 443.703 6.149 30 20 IKED C=C(C)COc1cc(CNCC2(c3cc(Cl)ccc3OC)CCOCC2)ccc1OC 60949298 NXOUOEAZRNXWGQ-UHFFFAOYSA-N 445.987 5.150 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(Sc2ccccc2)cc1C 63423046 XFXRIOIMIRMGSW-UHFFFAOYSA-N 441.556 5.171 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 108602816 FJEKYCIRFDMNED-QHCPKHFHSA-N 437.515 5.258 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CCc2nc3ccccc3n2-c2ccccc2)cc1 111020514 GCSFLEINZWSPRG-UHFFFAOYSA-N 438.531 5.304 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)cc1Cl 111148050 DSNFDJKMMPCPQE-KRWDZBQOSA-N 436.849 6.062 30 20 IKED Cc1c(-c2ccccc2)oc2c(C(=O)[C@H](C#N)c3nc4ccccc4n3C)cccc2c1=O 301767945 YNLUOBPUWJQANO-FQEVSTJZSA-N 433.467 5.145 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(c3ccc(C(F)(F)F)c(C#N)n3)C2)n1 409656361 HRFVCNBJXWJCMC-CQSZACIVSA-N 444.482 5.488 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N(Cc3cccc(-c4cccnc4)c3)C3CC3)cc2)nc1 427586036 BQLWTZXEZZASAQ-UHFFFAOYSA-N 446.510 5.612 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3ccncc3)CC2)cc1Cl 429439854 AHJKNWQYFUXGBO-QHCPKHFHSA-N 430.939 5.802 30 20 IKED CCOC(=O)c1csc(C2CCN(Cc3ccc(-c4ccccc4C#N)cc3)CC2)n1 429570257 WAOLIKLPEBQODI-UHFFFAOYSA-N 431.561 5.238 30 20 IKED N#Cc1cc(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)ccc1F 430711736 XGXUCMDMNIUJBL-UHFFFAOYSA-N 445.347 5.360 30 20 IKED C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N[C@H](CCCC#N)c1ccccc1 431287456 MADHIKOFMNKWNQ-MGPUTAFESA-N 432.337 5.254 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccccc1 432904583 IIDYYTIQLRDTGF-IBGZPJMESA-N 436.899 5.742 30 20 IKED C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 434211929 OZIQKXMJBVCXDX-NIYFSFCBSA-N 441.531 5.188 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC1(c2c(Cl)cccc2Cl)CC1 434619936 VKLKEJGCNXAXCP-CYBMUJFWSA-N 448.375 5.132 30 20 IKED C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 435102742 JHXNOVZOJMIMEG-NLFFAJNJSA-N 425.532 5.742 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 437828104 IOFXUCMBLYEIPZ-ZEQRLZLVSA-N 430.552 5.053 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)c2c(F)cccc2OC)cc1 438173137 BPNJQBGJAGPJCU-HNNXBMFYSA-N 435.455 5.390 30 20 IKED CCCc1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)F)cnn1-c1cccc(C#N)c1 440101327 SZPDERQBLSCPPN-RBUKOAKNSA-N 436.462 5.040 30 20 IKED Cc1cc(-c2cc(C(=O)NCC3CCC(C#N)CC3)c3cnn(C(C)C)c3n2)c(C)s1 441150949 SOSDEIPYTOBOAO-UHFFFAOYSA-N 435.597 5.417 30 20 IKED O=C(CN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1Cl 444732251 JWGNWPSUELCOJB-HNNXBMFYSA-N 442.762 5.720 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)cc1 464857286 QFXOBHDXHFXHGW-DEOSSOPVSA-N 440.478 5.051 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CSc2cccc(C#N)c2)cs1 468645387 NOPZDJMQSYVPDU-UHFFFAOYSA-N 433.480 6.010 30 20 IKED CCc1c(C)sc(NC(=O)c2cc(I)ccc2Cl)c1C#N 471707900 XIMNWCDTPXHSHK-UHFFFAOYSA-N 430.698 5.001 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc2ncsc2c1 475798953 QVMOVAZFQCQTME-UHFFFAOYSA-N 437.521 5.011 30 20 IKED C=CCN(CC=C)C(=O)[C@@H](C)S[C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 476211510 UYCIMMQOCNFPHM-UONOGXRCSA-N 425.476 5.139 30 20 IKED COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)C[C@@H](CC#N)c2ccccc2)c1 476325067 XOZGPSVUCIFMRY-OAQYLSRUSA-N 428.488 5.078 30 20 IKED COC(=O)C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1 477772189 KJVUUNPKOPPKAR-KDOFPFPSSA-N 431.945 5.160 30 20 IKED C=C(C)Cn1c(S[C@@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)nnc1-c1ccncc1 478716915 WHVROKOPDMNRLW-QGZVFWFLSA-N 449.363 5.229 30 20 IKED CN(Cc1cccc(C(F)(F)F)c1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 479161765 JFWLMRBFLWGUDJ-UHFFFAOYSA-N 431.458 5.109 30 20 IKED C[C@H](N[C@@H](c1ccc(F)cc1)c1cnn(C)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 480695443 JVROHDPVESJOFH-BUXKBTBVSA-N 445.382 6.037 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cnccc2-c2cccc(F)c2)nnc1-c1ccco1 481856944 IEMVXCCBGIPEFW-UHFFFAOYSA-N 449.511 5.046 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 482416867 DESWJIUDCAYBNO-GOSISDBHSA-N 444.400 5.298 30 20 IKED C=C(C)Cn1c(SCC(=O)N2CCC[C@@H]2c2cc(C)ccc2C)nnc1-c1ccco1 483118442 ZGTCOVHVDGIJKM-HXUWFJFHSA-N 436.581 5.187 30 20 IKED C=C(C)[C@H](NC(=O)N(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1)c1ccc(F)c(F)c1 483306351 TUCOGSXECCIJQY-VXKWHMMOSA-N 442.897 5.456 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)NC12CCC(C(F)(F)F)(CC1)CC2 488362341 FTXBNJKNWZBPQQ-UHFFFAOYSA-N 444.347 5.666 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(C)cc1Cl 489633662 NDRMAYLCBSWGQY-UHFFFAOYSA-N 442.972 5.044 30 20 IKED N#Cc1cc(C(=O)Nc2ccc3nc(-c4ccccc4Cl)[nH]c3c2)cnc1C(F)(F)F 490874398 NATQXBUOLLRXSV-UHFFFAOYSA-N 441.800 5.421 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(OCc3ccc(F)cc3)cc2)cc1 491569396 KZDQKAIHZSSEQE-GOSISDBHSA-N 447.510 5.203 30 20 IKED CCN(CCC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 492180362 HDIXCXATEFCYOX-HTXNQAPBSA-N 440.503 5.396 30 20 IKED N#Cc1ccccc1-c1ccc(CS(=O)(=O)Cc2coc(-c3ccc(Cl)cc3)n2)cc1 494748093 JYEBFPLKRUGCGV-UHFFFAOYSA-N 448.931 5.649 30 20 IKED CN(C(=O)c1coc(-c2ccc(Br)cc2F)n1)c1cc(Cl)ccc1C#N 497346700 FYMHBGWVKFGJJA-UHFFFAOYSA-N 434.652 5.045 30 20 IKED C=CCN(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 497549939 HQCVEPDTRMCIGX-MSOLQXFVSA-N 441.459 5.319 30 20 IKED N#C[C@H](NC(=O)CCc1cccc(OC2CCCC2)c1)c1ccc(Br)cc1 499408897 REYGFLUKDXQOFU-NRFANRHFSA-N 427.342 5.084 30 20 IKED Cc1c(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cnn1CC(C)C 499580192 SQPYAGFDMWMDJF-UHFFFAOYSA-N 437.931 5.596 30 20 IKED N#CC1(CCCN(Cc2cccc(Br)c2)CC2(O)CCCCC2)CCOCC1 499711366 QZGLKBATEZPMFW-UHFFFAOYSA-N 449.433 5.047 30 20 IKED Cc1onc(CC(=O)Nc2ccc(Oc3ccnc4cc(Cl)ccc34)c(F)c2)c1C#N 499927250 HZTURYZBBLAMPZ-UHFFFAOYSA-N 436.830 5.169 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(=O)N2CCCCCC2)ccc1OC 502652540 PUKSDWQQVPLCTA-UHFFFAOYSA-N 448.567 5.027 30 20 IKED CCOCCOc1c(Cl)cccc1NC(=O)Nc1ccccc1SC[C@H](C)C#N 503227552 WJAAPCJLQRNXKQ-OAHLLOKOSA-N 433.961 5.651 30 20 IKED N#Cc1cccc(OCCCCc2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)c1 504806173 YUZKRQUTQCMRMT-UHFFFAOYSA-N 430.439 5.336 30 20 IKED COCCOc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1F 508742499 UEMSZRNZONWEJZ-UHFFFAOYSA-N 436.508 5.267 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](C(F)(F)F)C(C)(C)C1 508818753 VAZNEDDVDAFWHS-OTWHNJEPSA-N 434.506 5.124 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)c2sc(-c3ccccc3)nc2C)c1C#N 509606630 SZKOQRQSXZPSRG-ZDUSSCGKSA-N 434.590 5.476 30 20 IKED Cn1cc(Oc2ccccc2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cn1 510512458 BSJQFJMPBOYARH-UHFFFAOYSA-N 438.487 5.110 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 513658364 SEUMGIPSXRHREQ-UHFFFAOYSA-N 439.374 5.421 30 20 IKED C[C@@H](OCCCNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1 515009679 IGLMLANCUGTEJX-HXUWFJFHSA-N 430.573 5.748 30 20 IKED COCCC[C@H](c1ccc(Cl)cc1)c1noc(-c2ccn(-c3cccc(C#N)c3)n2)n1 516513525 XVPALVPVWFOKHS-HXUWFJFHSA-N 433.899 5.006 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C)n(Cc4ccccn4)c3C)n2)cc1 517801182 ZKDYQXHJGJEJDL-QFIPXVFZSA-N 442.544 5.170 30 20 IKED C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 518259249 FYIZJUGZTKVTRB-SJORKVTESA-N 444.551 5.270 30 20 IKED Cc1ccc(Cc2cnc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)s2)cc1F 518372124 DBCHCXAMCKEARW-UHFFFAOYSA-N 444.491 5.493 30 20 IKED C=CCC[C@H](NC(=O)N1CC[C@H](n2cc(Cl)cn2)C1)c1ccc(C(F)(F)F)cc1 520298934 BEYWZILJHBHMAF-ROUUACIJSA-N 426.870 5.219 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H](c2ccccc2)c2ccco2)cc1 520589101 NUTQDMAHLCJSIE-SANMLTNESA-N 437.499 5.836 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1 520940934 AIUWJHHOYAURSN-HNNXBMFYSA-N 433.499 5.953 30 20 IKED Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc12 521327164 UPOQRXRPDBNCKB-HNNXBMFYSA-N 432.574 6.042 30 20 IKED C[C@@H](C#N)CN(C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C1CC1 533600744 BJTORDPSSNEETB-JIHKLPAASA-N 446.532 5.286 30 20 IKED Cn1cc(-c2csc(NC(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)n2)cn1 535662048 OTNIHJUBBAUQSM-UHFFFAOYSA-N 435.896 5.113 30 20 IKED COc1cc([C@@H](C)N[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)ccc1OCc1ccccc1 537052358 CHNCXYDWQPZJLN-QZTJIDSGSA-N 447.535 5.034 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](CCO)c1ccccc1Br 541043524 DNWNFFFJKZMCNH-RHSMWYFYSA-N 448.386 5.089 30 20 IKED Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 550706649 FFSCXVKAZQXTIR-NSHDSACASA-N 434.315 5.170 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)Nc2ccc(Sc3ccc(Cl)cc3)cc2)CC1 554557816 OBPCCCPENINKCU-UHFFFAOYSA-N 448.979 5.975 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[C@H](C2CCOCC2)C1 555268837 PFJCNSQSIKCFGG-RDPSFJRHSA-N 446.595 5.400 30 20 IKED CCNc1ccc(C#N)cc1NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 556927195 BFNHEGGWVBFLPW-UHFFFAOYSA-N 432.549 5.265 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)CCOc3ccccc3-c3ccccc3)CC2)c(F)c1 557121740 XZLMGFKTDBCBPU-UHFFFAOYSA-N 444.506 5.203 30 20 IKED COc1ccc(-c2cnc(CCC(=O)N(Cc3ccccc3)c3ccccc3C#N)o2)cc1 561452828 XEXYIXJFEKJCSW-UHFFFAOYSA-N 437.499 5.388 30 20 IKED CC(C)(C)c1cc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)n(C(C)(C)C)n1 562146420 DIPOHUIPGGKZJF-UHFFFAOYSA-N 441.551 5.022 30 20 IKED N#CCCn1ncc(C(=O)Nc2cccc(COc3ccc(F)cc3)c2)c1-c1ccccc1 567509403 DJKOMPLAGFIOOT-UHFFFAOYSA-N 440.478 5.434 30 20 IKED CN(C(=O)c1cncc(C(F)(F)F)c1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 568690099 DUPHPCNWFWKSRK-ZDUSSCGKSA-N 430.270 5.495 30 20 IKED N#Cc1ccc(CNCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c(C(F)(F)F)c1 572023765 RBCRLYOVADFILP-UHFFFAOYSA-N 427.401 5.258 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)s2)c(C)c1 578253415 WPTVFMNPNIODMC-UHFFFAOYSA-N 449.551 5.430 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1nc(-c2ccccc2)cs1 584083240 IHOHHSSZUSLCLJ-MRXNPFEDSA-N 441.516 5.752 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H](C4CC4)C3)s2)c(C(F)(F)F)c1 589007201 VQLZGBWBKYICEB-INIZCTEOSA-N 434.487 5.278 30 20 IKED Cc1cc(-c2cc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c3c(C)noc3n2)c(C)o1 592974111 NKSYPWJRIQMURF-MRXNPFEDSA-N 446.463 5.647 30 20 IKED Cn1cc(-c2nc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cs2)cn1 603784634 BZWBBIOBRTUPNP-SFHVURJKSA-N 433.924 5.105 30 20 IKED CC(C)c1ccccc1-n1c(S[C@H](C#N)Cc2ccccc2)nnc1-c1cccnc1 603986653 JUUJJZUSMMWPQR-NRFANRHFSA-N 425.561 5.680 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnc2onc(C(C)(C)C)c2c1 604358631 FYILRWILSKGQOF-UHFFFAOYSA-N 426.476 5.745 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1oc2ccccc2c1CSc1ncccn1 604528766 YJSXIRIDORWFIF-UHFFFAOYSA-N 442.544 5.438 30 20 IKED CCO[C@H](C)c1nc(CN(C)C(=O)Nc2cccc(C#Cc3cccs3)c2)cs1 608273193 LADKSKUECLCDEB-MRXNPFEDSA-N 425.579 5.366 30 20 IKED CCOc1ccccc1CCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609080083 POTICJMVRGLXFC-UHFFFAOYSA-N 429.520 5.209 30 20 IKED CC(C)N(Cc1cc(Br)ccc1F)C(=O)c1cc2ccccc2n1CC#N 609168454 QVGMRBSOVAHTRJ-UHFFFAOYSA-N 428.305 5.117 30 20 IKED CC(C)(C)CN(CCC#N)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 609191550 FTPCJAAHGHBPJV-UHFFFAOYSA-N 428.920 5.262 30 20 IKED CN(C(=O)c1oc2ccccc2c1CSc1ccc(F)cc1)c1ccc(C#N)cc1F 609216290 GNWMKLSZBVPYLI-UHFFFAOYSA-N 434.467 6.152 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2nnc(-c3ccccn3)s2)c1 609723624 NRVZXTSLUWSWNK-UHFFFAOYSA-N 433.880 5.170 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3csc(-c4ccoc4)n3)cc2F)c1 609970418 CNVXXHMWWXAEEM-UHFFFAOYSA-N 433.464 5.174 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(Sc4nncs4)cc3)c2)cc1 609987489 HJPMVBLXBYVRKG-UHFFFAOYSA-N 429.530 5.557 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)CSc2ccc(C#N)cc2)nc1-c1ccccc1 610112818 AZNYGLWUNWDGBX-OAQYLSRUSA-N 431.561 5.792 30 20 IKED COc1cc(-c2nnc(SCCC(C)(C)C#N)n2C2CCCCC2)cc(OC)c1OC 610165706 FZNARMFTZXEURU-UHFFFAOYSA-N 444.601 5.508 30 20 IKED N#CCN1CCC(NC(=O)N(Cc2ccc(-c3ccccc3)s2)C2CCCCC2)CC1 610478722 VRWMHINHRMQFLF-UHFFFAOYSA-N 436.625 5.247 30 20 IKED CSc1nc(C(C)(C)C)nc(C)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 610753866 JOIQQKZNRUPWGZ-UHFFFAOYSA-N 433.537 5.116 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)cc2)cc1 620544759 SPJPLWQSEYFGET-UHFFFAOYSA-N 441.487 5.183 30 20 IKED Cc1cccc(C(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1F 622518120 WQUBESYQZVTWDD-MRXNPFEDSA-N 435.339 5.385 30 20 IKED O=C(Nc1ccc(F)cc1OC1CCCC1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 676276904 XPIUJTXAJZUNCT-STQMWFEESA-N 428.348 5.352 30 20 IKED C=CCn1c(COc2ccccc2F)nn(CN2CC[C@@H](c3ccccc3C)C2)c1=S 725780069 TVISFVUQARRSPM-LJQANCHMSA-N 438.572 5.074 30 20 IKED O=C1C(=NNc2nc(C(F)(F)F)nc3ccccc23)c2ccccc2N1Cc1ccccc1 725831589 VLBPIPBBLXPCOU-UHFFFAOYSA-N 447.420 5.012 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3nc(-c4ccc5c(c4)CCO5)cs3)o2)cc1 727989577 XQZKUIKBRHQGMY-UHFFFAOYSA-N 443.484 5.041 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(Cl)nc3Cl)cc2Cl)c1 728000126 VAVGMLUMMCMJQC-UHFFFAOYSA-N 432.694 5.745 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1sc2cc(Br)ccc2c1Cl 729828454 VCKGCOUTLRAVOX-UHFFFAOYSA-N 449.757 6.228 30 20 IKED COc1cc(C(=O)/C=C/c2ncc(-c3ccc(Br)cc3)[nH]2)ccc1OC(F)F 732714540 VBYYFLWEHVOGHV-VQHVLOKHSA-N 449.251 5.345 30 20 IKED O=C(O)COc1cccc(/C=C2/CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)c1 733207233 WQZZERDXJWCJHY-GDNBJRDFSA-N 425.893 5.139 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(CC)Cc2ccc(C(F)(F)F)cc2)ccc1OC 733655826 DBFHRGFILMVJKB-IBGZPJMESA-N 449.473 5.127 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C)c(NC(=O)NC(C)(C)C)c2)cc1 741111212 IPZJSGXIYUHTNW-KKSFZXQISA-N 448.567 5.390 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)cc1NC(=O)Nc1ccccc1 741429069 BNAORNCQNIHZOS-SFHVURJKSA-N 446.894 5.254 30 20 IKED COc1cccc([C@@H](C#N)NC(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)c1OC 746226614 UTENYFBQXVHZKI-LJQANCHMSA-N 440.858 5.283 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cccc(OC(F)F)c1 747040762 IKQSWKSQBVSPHT-UHFFFAOYSA-N 445.878 5.570 30 20 IKED N#Cc1ccc(C(=O)CSc2nnc(Nc3ccc(SC(F)F)cc3)s2)cc1 749618953 CCPWAHMXVZZORS-UHFFFAOYSA-N 434.518 5.443 30 20 IKED COc1cc(Cl)c(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1Cl 753919546 YHQSDUXLSNGZTN-UHFFFAOYSA-N 444.343 5.631 30 20 IKED CC(C)(C)O[C@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1 754532266 SNLGYGJQAYJLAF-BEFAXECRSA-N 432.467 6.048 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)c1cnn(CCC#N)c1-c1ccccc1 759055754 VTDYQVOTFNVEHO-IBGZPJMESA-N 444.535 5.080 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCCn2ccc3cc(Cl)ccc32)cc1Cl 760970595 UUKIDDCBCVRXEP-KRWDZBQOSA-N 444.318 5.084 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN(Cc2ccc(OC)cc2)[C@@H](C)C2CC2)c1=S 764910673 WJZDEBZMANVUPT-IBGZPJMESA-N 449.624 5.319 30 20 IKED CC(C)c1ccc(OCc2nnc(S)n2N=CC2CCC(C(F)(F)F)CC2)cc1 767362295 VJKWGTCGWXPKQS-UHFFFAOYSA-N 426.508 5.472 30 20 IKED C=CCN(C(=O)COC(=O)/C=C\SC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 767654763 XYHAGLKRNGNTEZ-VURMDHGXSA-N 443.377 5.056 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)c2cn(CCCC#N)c3ccccc23)cc1 767946247 FEVRIOIPWMIQEZ-UHFFFAOYSA-N 446.551 5.265 30 20 IKED CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 768249525 RNKXDLJQFAIJDX-IBGZPJMESA-N 435.977 5.241 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CCOc3cc4c(cc3C2=O)CCC4)cs1 768489658 FCCXLXJIYDKUCV-WOJGMQOQSA-N 448.519 5.504 30 20 IKED CC(C)(C)OC(=O)N1Cc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc2C1 769294216 PTVFTIHABSPVIM-FQEVSTJZSA-N 445.544 5.551 30 20 IKED CCCCOc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(Cl)c1 770846183 HNDODIZFZAPETN-HNNXBMFYSA-N 439.726 5.787 30 20 IKED Cc1nc(NC(=O)c2ccccc2SCC#N)sc1Cc1cccc(Cl)c1F 773588779 PRWJSDLCEZNDLW-UHFFFAOYSA-N 431.945 5.703 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@H]1CCc2c(Cl)cccc21 776076982 MAVKDXSELSQVHM-PMACEKPBSA-N 430.891 5.510 30 20 IKED C[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(SCC(F)(F)F)cc1 777113420 BOFSKSBMBBYBBI-OAHLLOKOSA-N 435.515 5.347 30 20 IKED CC[C@@H](C)n1c(SCC(=O)OCc2ccc(C3(C#N)CC3)cc2)nnc1-c1ccccc1 777147002 BDCLQYPDCGSUFY-GOSISDBHSA-N 446.576 5.307 30 20 IKED C[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)C(=O)c1ccc(Cl)cc1 777310545 UWVXUAUZYSXDJJ-KUHUBIRLSA-N 433.920 5.421 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1ccc(Cl)cc1 778296634 ARFZGKFHYHAVGF-KRWDZBQOSA-N 447.709 5.102 30 20 IKED CC(=NOCc1ccccc1C(C)(C)C#N)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 784048593 CKLIWVUWIMUKNU-UHFFFAOYSA-N 441.457 5.337 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 784460268 WVQVDOFPGFWXGL-GOSISDBHSA-N 449.551 5.344 30 20 IKED N#CCOc1cccc(CC(=O)N[C@H](c2ccccc2)c2cc(Cl)ccc2Cl)c1 784637325 HVXSDYWNLQSWHL-HSZRJFAPSA-N 425.315 5.344 30 20 IKED O=C(OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1csc(C(F)(F)F)n1 791035207 PRWNSWYBPRZEFO-UHFFFAOYSA-N 427.219 5.094 30 20 IKED CCNC(=O)N(C)c1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 794112739 YMSIRGTUGRCHHO-UHFFFAOYSA-N 444.560 5.269 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc2nc(-c3ccccc3)oc2c1 796635484 MMLGTFFOPVPGDZ-OAQYLSRUSA-N 431.451 5.609 30 20 IKED Cc1c(-c2ccccc2)oc2c(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)cccc2c1=O 797568600 KBKPQQKBSKLJKS-IBGZPJMESA-N 442.540 6.013 30 20 IKED N#CC1(CCCOC(=O)[C@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)CCOCC1 800163294 FQQIPOQLPNHKBR-OAQYLSRUSA-N 448.346 5.757 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2cc(Cl)sc2[nH]1 811393676 CGTYWWLVZQLZOO-NSHDSACASA-N 433.942 5.073 30 20 IKED Cc1ccc(-c2n[nH]cc2C=Nn2c(S)nnc2COc2cc(C)ccc2C(C)C)cc1 812451485 HFLJPEFPLYFNCZ-UHFFFAOYSA-N 446.580 5.158 30 20 IKED C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(N2CCCOC2=O)cc1 814635676 JFZFVIMXMQUWCJ-SJORKVTESA-N 438.553 5.168 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc2ccc(F)c(F)c2n1 814728905 QFVNDOBCXIPOIL-UHFFFAOYSA-N 432.455 5.142 30 20 IKED N#C[C@@H](C(=O)C1CCC(OC[C@H]2CCCO2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 815910755 GNBIUXUIMRRHNN-HFPIOELMSA-N 444.984 5.394 30 20 IKED N#C[C@@H](C(=O)C1CCC(OC[C@@H]2CCCO2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 815910757 GNBIUXUIMRRHNN-QUDVFMAMSA-N 444.984 5.394 30 20 IKED O=C(O)C(=O)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc2ccccc2n1 818194084 AKVGZMHOXCMSSF-QGOAFFKASA-N 430.441 5.066 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(-c2nc([C@@H]3CCC(=O)N(CC4CCC4)C3)no2)cc1 856561170 TXVNQSCLLIVOON-GOSISDBHSA-N 446.482 5.046 30 20 IKED CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 912828298 DTXLUMQKWSSQMW-UHFFFAOYSA-N 437.352 5.107 30 20 IKED CC(=O)N(c1nc(C=NNc2nccc3sccc23)cs1)c1ccc(F)cc1F 915978886 GMKLIUBYYAGPPN-UHFFFAOYSA-N 429.477 5.162 30 20 IKED CCOc1cc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc(Cl)c1O 916284282 VFKBIYRZXWEHDI-UHFFFAOYSA-N 439.924 5.073 30 20 IKED N#Cc1cccc(OCC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)c1 916600979 SFIWVWCZEJXSOK-UHFFFAOYSA-N 443.503 5.433 30 20 IKED N#C[C@H](C(=O)COc1ccc2cc(Br)ccc2c1)c1nc2ccccc2s1 916847574 JQHNKKRLOVCGOD-QGZVFWFLSA-N 437.318 5.467 30 20 IKED COc1ccc(SCCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916912420 ZBPRLHZXZOFEQU-NRFANRHFSA-N 446.528 5.317 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl 916924676 DQPHRYSGKFPOEW-TZMCWYRMSA-N 437.348 5.220 30 20 IKED N#C[C@H](C(=O)CC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl 916928390 ZDZGVCJGVUHMHA-HXUWFJFHSA-N 437.326 5.863 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(s2)-c2ccccc2OC3)cc1 916947321 HKFDWVUQSNMEQK-MGPUTAFESA-N 430.529 5.782 30 20 IKED CC(C)(C)c1noc(CCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)n1 916976891 WIYTWODVKYCKRI-OAHLLOKOSA-N 428.945 5.343 30 20 IKED COc1ccccc1OCC(=O)Nc1cccc(N=Cc2cc(Cl)cc(Cl)c2O)c1 917557189 ADVYQFITORZUNI-UHFFFAOYSA-N 445.302 5.476 30 20 IKED COc1ccccc1-c1cc(NC(=O)c2ccccc2OCC#N)n(-c2ccc(C)cc2)n1 920003471 KBFGYPMYSJTJEA-UHFFFAOYSA-N 438.487 5.011 30 20 IKED Cc1nc(CSc2ccc(C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cc2)cs1 920105981 PEWWSNJCFMYFTP-FQEVSTJZSA-N 445.569 5.739 30 20 IKED CCOCCCn1c(NN=C(C)[C@@H]2C[C@H]2c2ccccc2Cl)nc2ccccc2c1=O 920370276 TVDWIXLEFBJTKR-PMACEKPBSA-N 438.959 5.068 30 20 IKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)CCC4CCC4)cc3)CCC2)c1 1786259757 ZDVMDQZVHCVQDU-UHFFFAOYSA-N 429.564 5.205 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4cncn4c3)CCC2)cc1 1789626148 APAPOFJVXDEQDE-UHFFFAOYSA-N 430.552 5.074 30 20 IKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc5ccoc5c4)cc3)CCC2)cc1 1790890511 TYQYXNDBMPIIFD-UHFFFAOYSA-N 449.510 5.295 30 20 IKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c(-c2ccc(C)cc2)c1 1794588272 DVOHFBQKDHWBGH-BKFWDETESA-N 431.580 5.010 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CC2)C1 1804857701 SQBFFVSHYSPTRM-GOTSBHOMSA-N 440.603 5.153 30 20 IKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)[C@H](C)c3ccc(Cl)cc3)C2)CC1 1805189509 UCUKCZJBPISEOQ-HXUWFJFHSA-N 443.031 5.443 30 20 IKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(Cl)c(F)c3)C2)CC1 1805216570 HOIAAGFKEHVLHM-UHFFFAOYSA-N 446.994 5.021 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3nscc23)n[nH]1 1821517008 GZGVNJWVTXDKBY-OAQYLSRUSA-N 449.580 5.094 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@]3(C)CC=CCC3)[nH]n2)c1 1823216069 OCIZGQYAILHBQV-HYWYFEKYSA-N 445.567 5.089 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCn2cccc2)CC1 1823752452 UAWWXPRAACJHGB-XMMPIXPASA-N 441.660 5.271 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ccoc23)CC1 1829068528 BLSZWGQBSLAVML-HSZRJFAPSA-N 436.596 5.659 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)CC1 1830189436 XLAQATRKLALDAL-OZXSUGGESA-N 447.623 5.099 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)ccc2F)CC1 1832594388 HGWUWQBGEIQYQA-QHCPKHFHSA-N 444.591 5.060 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCc1cc(Cl)ccc1Cl 1847267911 RTZFFVBAKQNHOK-PMACEKPBSA-N 437.411 5.120 30 20 IKED C=CC(=O)Nc1ccc(CC(=O)N(CCCCCCCC)CCCCCCCC)cc1 2088600976 FFCCATUWWJFNGF-UHFFFAOYSA-N 428.661 6.903 30 20 IKED Cc1cccc(N/C(S)=C(\C(=O)c2cc(C)n(C)c2C)[n+]2ccc3c(c2)CCCC3)c1 10167314 NVRFVYLEELMNIN-UHFFFAOYSA-O 432.613 5.168 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2ccc(C)c(F)c2)cc1 11082952 YAXCOKDLSLRSID-UHFFFAOYSA-O 449.615 6.332 30 20 IKED C=CCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1cccc(OC)c1 14082903 NFCUKNKZGFWOTJ-UHFFFAOYSA-N 449.363 5.177 30 20 IKED C=CCn1c(SCc2nc3ccccc3c3ccccc23)nnc1-c1ccccc1OC 20067990 FKMYAWKAMFSYJV-UHFFFAOYSA-N 438.556 6.133 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCc1cccc(C(=O)Nc2ccccc2)c1 108224299 OPTMVYCJMVZWLM-UHFFFAOYSA-N 440.572 5.600 30 20 IKED CCN(C(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl)[C@H](C)c1ccc(C#N)cc1 303864395 HQNOEPMKLDLZMB-OAHLLOKOSA-N 426.948 5.355 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3CCOC4(CCCC4)C3)cc2Cl)c1 426080816 YUYYGXVPINEBNR-FQEVSTJZSA-N 439.943 5.404 30 20 IKED CSc1ccc(-c2csc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)n2)cc1 428322843 ATKWHBFQVNMMDW-UHFFFAOYSA-N 445.573 5.561 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)s1 430645706 VHGHJYRQSATNGU-QGZVFWFLSA-N 433.512 5.046 30 20 IKED N#CCC[C@H](c1ccccc1)N1C(=O)[C@@H](c2ccc(Cl)cc2Cl)N(C2CC2)C1=O 432395954 BPOXGULQRIUUNK-WOJBJXKFSA-N 428.319 5.506 30 20 IKED CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 437251614 NQXAVFQDNHLNJC-UHFFFAOYSA-N 448.350 5.052 30 20 IKED COc1cc(CSCc2nnc(-c3ccccc3)o2)ccc1OCc1cccc(C#N)c1 437264016 VZEKXPPCHNNMHR-UHFFFAOYSA-N 443.528 5.629 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cc1F 437502303 VFRFOBOUAYQQNO-UHFFFAOYSA-N 434.442 5.316 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CC(Cc4ccccc4Cl)C3)c2)c1 438622364 KUBWFISRWLWMQA-UHFFFAOYSA-N 444.922 5.170 30 20 IKED N#CCC[C@@H](NC(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1)c1ccccc1 439381810 PHIVHVXFVMIBJZ-JOCHJYFZSA-N 430.483 5.173 30 20 IKED COc1ccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c(OCc2ccccc2)c1 439675882 UUQPBOARZUJRQF-UHFFFAOYSA-N 439.515 5.467 30 20 IKED COc1cccc(/C=C(/CC(=O)N(C)c2ccc(C#N)cc2)c2nc3ccccc3s2)c1 440049424 JDMVYLNVZUOGTF-ZHZULCJRSA-N 439.540 5.770 30 20 IKED CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 441526279 UHSOCNFMDQCDEJ-UHFFFAOYSA-N 425.388 5.118 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CN2CCCC(C)(C)[C@@H]2C#N)cs1 444723671 ADDGICXCUTVXFG-SFHVURJKSA-N 436.503 5.361 30 20 IKED C=C(C)CN1CCC(NC(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)CC1 445514725 JJDUWTAOEBSJOK-OAHLLOKOSA-N 433.021 5.173 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(C)cc(C)c2Br)cc1 460740415 YCJHBFFQIUEMGS-UHFFFAOYSA-N 427.342 5.132 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(c2noc(C3CC3)n2)CC1 462254793 IDCGDKBESNQADB-UHFFFAOYSA-N 443.507 5.331 30 20 IKED N#Cc1ccc(NC(=O)CC(CC(=O)Nc2ccc(C#N)cc2)c2ccc(Cl)cc2)cc1 463448559 HHGYSZZQRLWENW-UHFFFAOYSA-N 442.906 5.225 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1cccc(Cn2cnc3ccccc32)c1 465787109 SUNOKTGMJCPMKG-RSXGOPAZSA-N 449.558 5.066 30 20 IKED CCOc1ccc([C@@H](NC(=O)Nc2ncccc2OCCCC#N)c2ccccc2)cc1 466600667 KCHNVXXBXCZSAV-QHCPKHFHSA-N 430.508 5.074 30 20 IKED COc1ccc(Sc2ccc(NC(=O)Nc3ccn(CCC#N)n3)cc2Cl)cc1 470357596 QEYBLBWHQYTASA-UHFFFAOYSA-N 427.917 5.254 30 20 IKED COc1cc(C)ccc1Oc1ccc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cc1F 470844520 MLESCACLQXVZCT-LJQANCHMSA-N 429.451 5.128 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(N[C@@H](C)C(C)C)c1C 474352507 MRZPBWNCDSRWTJ-IBGZPJMESA-N 428.536 6.071 30 20 IKED Cc1ccc(-c2ccc(Cl)cc2NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)o1 477896611 XIJKSNZEMJSQCK-UHFFFAOYSA-N 433.899 5.011 30 20 IKED COc1cc([C@H](C)NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc(OC)c1OC 479511273 ITIHQBRWINFAIX-INIZCTEOSA-N 448.544 5.226 30 20 IKED COc1ccc2ccccc2c1-c1cc(CN2CCC(Oc3cccc(C#N)c3)CC2)on1 480778291 JPBZVBBIOVVEAG-UHFFFAOYSA-N 439.515 5.418 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)c1cnc2ccccc2n1 483216099 TWNBXPGTMMENMU-QGZVFWFLSA-N 439.862 5.219 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(c4ccsc4)CC3)cc2F)c1 486504513 RUTGSHOKTFGXCN-UHFFFAOYSA-N 435.524 5.749 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1cc(Br)ccc1OCCOCC 493732739 BNILMICZUQUTGU-UHFFFAOYSA-N 439.375 5.146 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(Oc3ccncc3)c2)cc1Cl 496190102 RKTAYBNDRGVQBK-DEOSSOPVSA-N 439.902 6.435 30 20 IKED C[C@@H](c1ccccc1C(F)(F)F)[C@@H](C)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 499426238 DTYNUKRSOYEIAP-QZTJIDSGSA-N 445.485 5.041 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc([C@@H]2CCCOC2)c1 499728685 XVRWDLCEULRWTM-XMMPIXPASA-N 426.516 5.592 30 20 IKED C[C@@H](Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)C(=O)Nc1ccccc1C#N 500275233 DGGXASDTWARNJC-CYBMUJFWSA-N 444.388 5.343 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1 502341537 MQUIXUSBJRGXER-UHFFFAOYSA-N 432.480 5.439 30 20 IKED COc1cc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc(OC)c1OC 502500605 WVYTVCTXBBHOSQ-UHFFFAOYSA-N 447.491 5.116 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@H](Oc3ccccc3Cl)C2)cc1C 503506110 BKDGJQBVDZZOCV-FQEVSTJZSA-N 448.954 5.028 30 20 IKED CCc1c(C(F)(F)F)noc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 505930797 SFUYTMORIRLESQ-UHFFFAOYSA-N 435.789 5.825 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H](CO)c2ccc(Cl)cc2)cc1Cl 506476448 FXGMDVKYKPOVIY-LEWJYISDSA-N 425.315 5.363 30 20 IKED C[C@H](CCNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 507008616 SVXXEUPSTRDGGS-WZONZLPQSA-N 445.950 5.244 30 20 IKED COc1cc(CN2CCC(C)(C#N)CC2)cc(Br)c1OCc1ccccc1 507719191 ACVHBFRNKCFPFA-UHFFFAOYSA-N 429.358 5.162 30 20 IKED CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=O)c1ccc(C#N)nc1 508240000 UYOYBPDOLKOJIV-JOCHJYFZSA-N 439.437 5.254 30 20 IKED C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 508810565 PQVFNRNZTSFCLY-LJQANCHMSA-N 448.542 5.151 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(OC2CCCCC2)CC1 508855441 HFIKWMBDABWXKN-GOSISDBHSA-N 428.552 5.061 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC1CCN(Cc2ccccc2)CC1 510338544 QRHSKBTXOCZEGZ-UHFFFAOYSA-N 440.547 5.445 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)n1 513659430 FGGFJZKWYRJWNO-INIZCTEOSA-N 429.910 5.654 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)cc1 514055519 LECZRLDMPSJNPJ-UHFFFAOYSA-N 448.571 5.178 30 20 IKED CC(=O)N[C@@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccs1 514544419 KLOYIUJSDPGLBS-CTNGQTDRSA-N 437.952 5.263 30 20 IKED Cn1ccnc1[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(Cl)cc1 518271697 HNEVQBDXVFAAFK-RUZDIDTESA-N 442.950 5.403 30 20 IKED C[C@H](NC(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1)c1ccc(C#N)cc1 519944666 UMDJBERNLZEDEU-KSFYIVLOSA-N 434.337 5.471 30 20 IKED CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 520584165 YPZBLHZPVVZOAF-UHFFFAOYSA-N 433.430 5.051 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1cccc(Oc2ccccc2)c1 520936126 SSNBQEPHXPCNHC-SFHVURJKSA-N 445.544 5.128 30 20 IKED CCn1c([C@@H](C)NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)nc2ccccc21 521653471 IMDUQXYIMCVVBQ-MRXNPFEDSA-N 428.467 5.350 30 20 IKED C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)N(Cc1ccccc1)Cc1ccccc1 521734397 OMHKIQCQVGTLKM-YADHBBJMSA-N 443.616 5.968 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N(Cc3ccccc3)CC3CCOCC3)c2)cc1 523137875 SVONAWWQASWPHV-UHFFFAOYSA-N 425.532 5.371 30 20 IKED O=C(c1ccc(Cl)cc1)C1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 523591168 YGFNKVWNPOQFGV-UHFFFAOYSA-N 443.934 5.262 30 20 IKED CCn1c(SCc2nnc(-c3cccc(C#N)c3)o2)nnc1-c1ccc(C(C)(C)C)cc1 525623607 OREAZKZMHAKUHI-UHFFFAOYSA-N 444.564 5.476 30 20 IKED CC(C)N(CCC#N)C(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)c(F)c1 526112015 NZZDRAKLIPRDRF-UHFFFAOYSA-N 438.286 5.014 30 20 IKED C=CCC[C@H](NC(=O)N[C@@H](c1ccccc1)c1nccn1C)c1ccc(C(F)(F)F)cc1 533528739 JULBMGYZFMBSJW-SFTDATJTSA-N 442.485 5.535 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C3(c4ccc(F)cc4F)CCOCC3)cc2)c1 534077473 RFKGNIQXSGYWMB-UHFFFAOYSA-N 448.469 5.102 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)cc1 534594752 IRZKQZPNAYEDJC-UHFFFAOYSA-N 440.853 5.146 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@H]3CCO[C@@H]3c3ccc(F)c(F)c3)cc2)cc1 537249815 XHRAZKFNPRXYMH-BJKOFHAPSA-N 434.442 5.083 30 20 IKED C[C@H](NC(=O)c1ccccc1CSc1nc[nH]n1)c1ccc(-c2cccc(C#N)c2)cc1 542062726 SULKPUHBORCGGP-KRWDZBQOSA-N 439.544 5.127 30 20 IKED Cc1ccsc1[C@H](Cc1ccccc1)NCC(=O)Nc1ccccc1S[C@H](C)CC#N 544416161 ZQLWTSFQNYEZLC-KNQAVFIVSA-N 449.645 5.963 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N 544481992 DZOUMYFOGBWMCH-JSGCOSHPSA-N 426.517 5.017 30 20 IKED C=CCNC(=O)c1cccc(-c2noc(-c3ccc(SCc4csc(C)n4)cc3)n2)c1 545647697 UAJXTVSWRDHDAR-UHFFFAOYSA-N 448.573 5.377 30 20 IKED C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 554147270 URZVZWCSELBFNP-OXQOHEQNSA-N 449.605 5.707 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3cc(-c4cccs4)nc4c3cnn4C(C)C)[nH]c12 554276317 OVQSNNZWECYMKB-MRXNPFEDSA-N 440.532 5.416 30 20 IKED CC1(C(=O)N[C@H]2CCSc3ccc(F)cc32)CCN(c2ccc(Cl)cc2C#N)CC1 562862428 DEOZSMUMMDTACK-IBGZPJMESA-N 443.975 5.311 30 20 IKED Cc1oc(NC(=O)[C@H](C)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)c(C#N)c1C 579057489 SYOJJMJQBXWEQC-STQMWFEESA-N 442.972 5.531 30 20 IKED Cc1nc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)nn1-c1c(Cl)cccc1Cl 592974763 ZAIRURYRQKIGTC-LLVKDONJSA-N 446.294 5.121 30 20 IKED N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1ccc2ccccc2n1 603835730 OAOJKXNFFRINRM-FQEVSTJZSA-N 425.469 5.784 30 20 IKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 603983883 QHKJMLDBHYCZEV-UHFFFAOYSA-N 432.545 5.011 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N(Cc2ccccn2)c2ccc(F)cc2)o1 603996925 MVAIHXMLNCGSCX-UHFFFAOYSA-N 427.435 5.111 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C)n(CC(F)(F)F)c1C 604102541 JEBGMDFPCWFZSB-UHFFFAOYSA-N 428.414 5.287 30 20 IKED CCCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 604500482 ILVUUNLZRUNSCS-UHFFFAOYSA-N 442.519 5.263 30 20 IKED CC(C)N(CCC#N)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 608814257 FGYKMOIHPKBMIW-NBVRZTHBSA-N 434.521 5.286 30 20 IKED CN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609080636 QKQMFAAEQUJTPG-UHFFFAOYSA-N 441.865 5.733 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(-n3cccc3)c(F)c2)cc1 609165637 WTRVNQHWZOJWPL-UHFFFAOYSA-N 425.463 5.514 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H](Cc4ccccc4)C3)c2)cc1 609281842 XNDZLLYXYLWUTA-XMMPIXPASA-N 439.559 5.818 30 20 IKED N#Cc1ccccc1COc1cccc(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)c1 609424831 YMESRBJIALTRJM-LDADJPATSA-N 439.902 5.445 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c1 609460739 DZCKGFRKMPWPQL-JOCHJYFZSA-N 435.405 5.151 30 20 IKED Cc1cc(Br)cc(C)c1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 609642490 KHXPHDGHQKPPFW-UHFFFAOYSA-N 435.321 5.769 30 20 IKED CN(C)[C@@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1c(F)cccc1F 609664250 OKVOSQLGMFBGSC-FQEVSTJZSA-N 437.515 5.020 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCCC[C@@H]2c2noc(C3CC3)n2)c1 609975645 UXLIFRUFEVDRKW-HXUWFJFHSA-N 448.910 5.632 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F 610057936 QBXHJZLOTOZNFF-NSHDSACASA-N 434.892 5.554 30 20 IKED Cc1sc2ncnc(Sc3ccccc3C(=O)N[C@@H](C)c3cccc(C#N)c3)c2c1C 610366669 PSLAKKNAJRCJDA-HNNXBMFYSA-N 444.585 5.822 30 20 IKED COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)[C@H](C#N)c1ccc2ccccc2n1 613290861 OHFQDZNYYIKIMF-JOCHJYFZSA-N 444.494 5.586 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C)n1-c1nccs1 613405042 UAEUPCDXPFVROZ-CQSZACIVSA-N 446.479 5.669 30 20 IKED CO[C@@]1(C(F)(F)F)CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 614932262 RWPSFKUMLYSXML-FQEVSTJZSA-N 437.393 5.065 30 20 IKED COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 618751160 GWPDNHQFMLYSKO-OAQYLSRUSA-N 436.899 5.250 30 20 IKED C=CCN(CCc1ccccc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 621000308 DDICLLPPSSJQMA-UHFFFAOYSA-N 431.458 5.317 30 20 IKED COc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cs2)cc1OC 642281563 JWMXTPURFUUOQS-INIZCTEOSA-N 447.541 5.441 30 20 IKED O=C(NCCc1ccc(OC(F)F)cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642659322 OTPIRJSRQXITSI-RYUDHWBXSA-N 448.354 5.039 30 20 IKED Cc1c([C@@H](C)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cnn1-c1ccc(F)cc1 675739149 UPJZJKAHKVAOLE-UYHMYPTGSA-N 437.403 5.880 30 20 IKED O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 678538114 NNHMUZYAEWXMGV-YUMQZZPRSA-N 444.326 5.532 30 20 IKED COc1cccc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)c1OC(C)C 726626883 MGMKVMXKESRYIP-NVMNQCDNSA-N 444.965 5.413 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 727222502 DUXOMOQZZQOAKG-UHFFFAOYSA-N 442.567 5.376 30 20 IKED CCC(CC)N(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1ccc(C)c(C)c1 728469603 SJNOHJZYOMVYOH-UHFFFAOYSA-N 426.582 5.216 30 20 IKED CC1CCN(C[C@H]2CCCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)C2)CC1 728688197 VHKPACZYZGDIQC-ATIYNZHBSA-N 430.596 5.318 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3cccc(COc4ccccc4)c3)CC2)c1 729561395 NIGQZJMVEHUDFR-UHFFFAOYSA-N 427.504 5.213 30 20 IKED N#C[C@H](C(=O)Cc1cccc(OCc2cccc(Cl)c2)c1)c1ccc2ccccc2n1 730394199 GHBWWTSDPNSGHB-QHCPKHFHSA-N 426.903 5.886 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(C3CCC3)C2=O)c1 730460531 ARDIIJWQJQHTEQ-OAQYLSRUSA-N 439.556 5.264 30 20 IKED C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(SC(F)(F)F)cc1 730997070 JNSVNDUPDRIUCE-GFCCVEGCSA-N 432.514 5.351 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 731109790 RLBWEJQNBDKJBL-FTJBHMTQSA-N 443.522 5.459 30 20 IKED CC(=NNc1cnnc(O)c1Cl)c1ccc(Oc2ccc(Br)cc2)cc1 732528817 ZWFBMWRCPKDSOD-UHFFFAOYSA-N 433.693 5.227 30 20 IKED C#CCN(C(=S)Nc1cccc(Cl)c1)[C@H]1CCOc2ccc(Br)cc21 733085173 BCDNBWLARRGHKF-KRWDZBQOSA-N 435.774 5.258 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(-c3ccccc3)cc2F)ccc1OC 733622168 QYMCEUMMTXGCOO-HXUWFJFHSA-N 433.483 5.504 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 734212953 JPKRNTVMCONASP-UHFFFAOYSA-N 448.567 5.296 30 20 IKED C=CC[C@@H](NC(=O)CCc1c(-c2ccc(OC)cc2)[nH]c2ccccc12)c1ccncc1 734237268 MSUYHYYVCJPVEN-XMMPIXPASA-N 425.532 5.605 30 20 IKED CC(=NNc1ncnc2cc(-c3ccc(Br)cc3)sc12)c1cncs1 734745790 DGFDXOBIBDGNNN-UHFFFAOYSA-N 430.356 5.413 30 20 IKED CC(C)Oc1ccc([C@H](O)CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 734870661 JBPHCNZIMXGXBP-XMMPIXPASA-N 446.572 5.101 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(Cc3ccccc3F)n2)cc1 735592548 ASEIOJCXMXTDKV-KXBFYZLASA-N 435.524 5.348 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CC[C@H](c3ccccc3)[C@@H](C)C2)c1=S 742165938 MQELGBUBIZJUPG-FPOVZHCZSA-N 434.609 5.359 30 20 IKED O=C(c1sccc1-c1ccc(F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 743870124 GKRXNQWVHJZBFY-VXGBXAGGSA-N 425.369 5.757 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(OC2CCC2)cc1 744029217 QFUXJGPPMGERIM-JOCHJYFZSA-N 426.472 5.371 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C(\C)c2cccc(C(F)(F)F)c2)cc1Cl 744032450 KCXUZKREUJFBJY-RCLKMUNOSA-N 436.817 5.118 30 20 IKED C[C@H](COc1cccc(C#N)c1)OC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 744138511 ILWLFCMFWQQXKM-CYBMUJFWSA-N 444.274 5.072 30 20 IKED COc1ccc(/C=C2\N=C(SCCCC(C)(C)C#N)N(c3cccc(OC)c3)C2=O)cc1 747806760 KXEGQLITMBPPGG-JCMHNJIXSA-N 449.576 5.511 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C)c1ccccc1NC(=O)c1ccccc1 748012984 IEIHJLYVEWSUDO-QGZVFWFLSA-N 439.471 5.421 30 20 IKED N#Cc1csc(/C=C2/CC(C#N)(c3ccccc3)C/C(=C\c3cc(C#N)cs3)C2=O)c1 748439150 KPJAFEMFCWZSTG-CQXXYOPLSA-N 437.549 5.844 30 20 IKED C=CCn1c(-c2cccc(Cl)c2)nn(CN(CCc2nccs2)C(C)C)c1=S 753985018 WREVDCHDQGCNHL-UHFFFAOYSA-N 434.034 5.288 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1cc(Cl)sc1Cl)c1nc(-c2ccccc2)cs1 756239684 CJVWWZSEYIHPHM-CYBMUJFWSA-N 435.357 6.018 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)ccc1OC 756696746 IWCXSPIFUNDOIZ-WMZOPIPTSA-N 444.601 5.167 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(F)(F)c1c(F)cccc1F 756923362 CWBKUURPTXBLEO-HTQZYQBOSA-N 425.266 5.082 30 20 IKED C#CC[C@@H](NC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1)c1ccccc1 757762408 PGKRXTBWEOOEJD-TZIWHRDSSA-N 434.927 5.044 30 20 IKED COc1cc2c(cc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1)oc1ccccc12 757778269 LDUMWZZSXXRMOJ-UHFFFAOYSA-N 436.471 5.624 30 20 IKED C[C@@H](OC(=O)c1cc2ccccc2n1CC#N)c1nnc(-c2ccc(Cl)cc2Cl)o1 758019010 YTQVGUXMEYRPII-GFCCVEGCSA-N 441.274 5.440 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 760789085 FHKQJPSKINZOHX-UHFFFAOYSA-N 446.869 5.486 30 20 IKED COC(=O)CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 763933051 XNZWFXGDVODLSL-RPBOFIJWSA-N 441.531 5.028 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)C[C@H](O)c1ccc(F)cc1 765971549 ZRWKTPPWLOLSIP-XDHUDOTRSA-N 433.483 5.432 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCC(=O)c2ccc3c(c2)OCCO3)cc1 766632467 QPROGGBVMUEZHO-HSZRJFAPSA-N 440.499 5.105 30 20 IKED CC(C)(C#N)CCCCOC(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 768626855 JNRMTXOONWKNSB-ZCYQVOJMSA-N 432.564 5.430 30 20 IKED C[C@H](Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 769989822 QZQARKZAPAZNRR-JTQLQIEISA-N 429.357 5.510 30 20 IKED N#C[C@H](C(=O)CN(Cc1ccco1)c1cccc(Cl)c1)c1nc(-c2ccncc2)cs1 772644235 HXZQUYKEXQBEMN-HXUWFJFHSA-N 448.935 5.335 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3C[C@@H](O)c3ccc(F)cc3)cn2)c1 773260382 FOOJCDGCOXXVBH-FYYLOGMGSA-N 446.482 5.005 30 20 IKED O=C1/C(=C\c2cccc(Br)n2)CCC/C1=C/c1cccc(Br)n1 777911474 LSFXTQKCYMQYAK-MIMPSMLTSA-N 434.131 5.222 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 780153596 WMEOLQWAEJAXDK-NSHDSACASA-N 432.320 5.033 30 20 IKED C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccccc1O[C@@H](C)C#N 780743474 BNIQFEIUCCRSQH-STQMWFEESA-N 425.838 5.479 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)CC2 782572112 AAJNRNHGWAINAB-SQNIBIBYSA-N 444.601 5.087 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(Cc2noc([C@@H]3CCCN3c3ccc(C#N)cc3)n2)cc1 783621956 BKBSSICQMPYYRG-NRFANRHFSA-N 445.523 5.221 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3ccccc3SC(F)F)c2)cc1 784425235 UPCAUBMBBPSNMB-UHFFFAOYSA-N 439.443 5.242 30 20 IKED CC[C@H](NC(=O)[C@H](C#N)C(=O)c1ccc(SCc2csc(C)n2)cc1)c1ccccc1 787029775 APISHNQAQPSLPN-YADHBBJMSA-N 449.601 5.334 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)OCc3ccc(Cl)nc3C(F)(F)F)cc2)nc1 787702186 IBVPKWSPZNTWMI-UHFFFAOYSA-N 433.773 5.170 30 20 IKED COc1ncc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1Cl 789157454 MCXCSRIGQCVQSQ-XQRVVYSFSA-N 449.866 5.059 30 20 IKED C[C@H](O)[C@](C)(CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)Cc1ccccc1 792230103 UWPGUYSSRZGJFU-OICBGKIFSA-N 427.548 5.093 30 20 IKED C#C[C@H](CC)N1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccsc1 792751347 BPSYVLQLWCQBAW-QAPCUYQASA-N 445.997 5.082 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3sc(SC(F)F)nc3C)n2)cc1 796636212 YQERVELGYRYSHH-ZDUSSCGKSA-N 435.546 5.617 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797572013 SRJKEICKLWAYQP-INIZCTEOSA-N 427.570 5.597 30 20 IKED C[C@H](Oc1ccc(Cl)cc1Br)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813212217 ZOQHAOKTDBLTID-JOYOIKCWSA-N 447.638 5.160 30 20 IKED CC(C)OCCCn1c(NN=C2CCC(c3ccc(O)cc3)CC2)nc2ccccc2c1=O 814772988 KTKYCFSGHMLRFE-UHFFFAOYSA-N 448.567 5.043 30 20 IKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C)c1 916207535 GFJLXAAZLPISQO-SFHVURJKSA-N 447.482 5.160 30 20 IKED N#C[C@@H](C(=O)CSCc1cccc(Cl)c1)c1nc(O)c2c3c(sc2n1)CCCC3 916845804 NTQGDFJZFRDXSQ-HNNXBMFYSA-N 443.981 5.039 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 916906569 DTWYUWDTEBKTCG-NUJGCVRESA-N 430.426 5.495 30 20 IKED N#C[C@H](C(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1)c1nc2ccccc2o1 917510132 PQRAHGYHFZLVCT-XMSQKQJNSA-N 447.288 5.587 30 20 IKED CNC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N([C@H](c2ccccc2)C2CC2)C1=O 917702398 SZLJUHFYNADTIO-LADGPHEKSA-N 443.572 5.059 30 20 IKED CC1(C)CC(C(=O)NC2(c3ccc(NC(=O)CCc4cccc(C#N)c4)cc3)CCC2)C1 1786041631 QHVKUSAEYSIOJI-UHFFFAOYSA-N 429.564 5.061 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)s3)CCC2)cc1 1786364591 RTNNXXIOYCSPNX-UHFFFAOYSA-N 432.973 5.132 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc4ccoc4s3)cc2)CCC1 1788414737 MOKLSSXWZNHHKE-UHFFFAOYSA-N 426.563 5.161 30 20 IKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](c3ccccc3)[C@H](C)CC)[nH]n2)C1 1814393926 QIKOUTGZODFPQC-RVSNTGDXSA-N 434.584 5.198 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccnc(C(F)F)c2)n[nH]1 1816079480 XXYCWFYVODRFJP-SFHVURJKSA-N 445.514 5.041 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)n[nH]1 1822574019 PXVJCAKVEFZAGO-VWPQPMDRSA-N 434.584 5.198 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccccc3n2C)CC1 1827991450 AXPHSIYIYQWWKL-RUZDIDTESA-N 447.623 5.180 30 20 IKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1831858324 LBSWYGPDAPGRHB-QFIPXVFZSA-N 447.604 5.259 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc3c(c2)CCCC3)c1 11170801 GTDSHUMOVOEUOK-UHFFFAOYSA-O 433.572 5.660 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nnc1-c1ccccc1 21755150 MTWDXOPCHCPOFM-IRXDYDNUSA-N 432.549 5.235 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)nnc1-c1ccc(F)cc1 22217368 ZTTPYLWLFFIBHP-GFCCVEGCSA-N 434.899 5.182 30 20 IKED CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccccc1-c1ccccc1C#N 24736954 NSPGNYGYQHXRAH-UHFFFAOYSA-N 438.314 5.243 30 20 IKED COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cn(CCC#N)nc2-c2ccccc2)cc1 57945551 WOKPTQLOSBUYEY-AREMUKBSSA-N 449.514 5.243 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C 61229194 SZYVISWMMZHCDQ-UHFFFAOYSA-N 426.520 5.563 30 20 IKED CC(C)Oc1ccc(C#N)cc1N[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 63640854 BBNCEMLWABFLBI-LBPRGKRZSA-N 425.838 5.457 30 20 IKED N#Cc1ccccc1COc1cccc(CNCc2ccc(OCc3ccccn3)cc2)c1 237839086 MJTAUCIVLQCNFG-UHFFFAOYSA-N 435.527 5.401 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)c1 410106662 UZIXJMWPBKXPCK-UHFFFAOYSA-N 448.460 5.614 30 20 IKED N#CCCN(CC1CC1)C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 429219720 IGYIRPAJTBKMAG-UHFFFAOYSA-N 430.430 5.115 30 20 IKED N#CCCC[C@H](Nc1ncnc2ccc(I)cc12)c1ccccc1 431510075 FWXYGJQZLQYMAL-KRWDZBQOSA-N 428.277 5.081 30 20 IKED Cc1cccc(OCc2nnc(SCCC(C#N)(c3ccccc3)c3ccccc3)o2)c1 434643258 QCFDRBBRDFBONS-UHFFFAOYSA-N 441.556 5.949 30 20 IKED COc1cc(CN[C@H](c2cc(F)ccc2F)C(F)F)ccc1OCc1cccc(C#N)c1 434668666 BXRMBKIVCIDVJZ-HSZRJFAPSA-N 444.428 5.520 30 20 IKED COCCOc1cccc(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 435068464 VIVZIQNWTLAKNX-HSZRJFAPSA-N 434.923 5.202 30 20 IKED Cc1ccc(SCC(F)(F)F)c(NCc2cn(CCC#N)nc2-c2ccncc2)c1 435135480 QIJMTCSUAWFJHG-UHFFFAOYSA-N 431.487 5.434 30 20 IKED CC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 437762479 USFVRFWZTMYBFT-VWLOTQADSA-N 427.548 5.817 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H](CN2CCCC[C@H]2C)C1 437846615 YBZALRALXTZURZ-FYYLOGMGSA-N 446.595 5.777 30 20 IKED Cc1cc(C#N)ccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 439054530 FTNSRBCIXRTGLT-UHFFFAOYSA-N 426.423 5.057 30 20 IKED Cn1nccc1[C@H]1CCCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 439359806 ZNUTYIQPNLCGFX-NZQKXSOJSA-N 433.943 5.488 30 20 IKED N#CCC[C@H](NC(=O)c1ccc(COc2cccc(Br)c2)o1)c1ccccc1 439679660 XRSMVIBSYRCSDT-FQEVSTJZSA-N 439.309 5.396 30 20 IKED Cc1cc(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)ccc1NC(=O)c1cccs1 441525675 RLQLRXWLDGXREJ-UHFFFAOYSA-N 445.422 5.331 30 20 IKED Cc1ccc(NC(=O)N(CCC#N)CCC(C)C)cc1Oc1ncccc1Br 448081021 QPCHVULGNPZTJD-UHFFFAOYSA-N 445.361 5.739 30 20 IKED CCN(C(=O)[C@@H](C)c1cccc(C#N)c1)[C@H]1CCSc2ccc(Br)cc21 463940752 BPONTGYCIJGRIY-LIRRHRJNSA-N 429.383 5.510 30 20 IKED CCCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 464302195 XWLNDHHKBBPYTG-IBGZPJMESA-N 445.441 5.099 30 20 IKED CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 464744737 OJCAEBPDIGUZPI-UHFFFAOYSA-N 443.503 5.012 30 20 IKED CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 464949501 OAROSRJOJIICSH-PZJWPPBQSA-N 438.959 5.172 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1N[C@@H](C)C(=O)Nc1ccccc1C#N 466987275 OVFMUNQGDVSEAS-INIZCTEOSA-N 432.911 5.212 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)Nc3cc(F)c(OC(F)F)cc3F)ccc21 468221578 RVVHHLIGXJYAOD-UHFFFAOYSA-N 449.326 5.768 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 469676851 ISNBIMNXHBDOSS-UZLBHIALSA-N 447.526 6.859 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)COc3ccc(Cl)c4ccccc34)ccc21 469949395 BOMIGRBNMLQCMR-UHFFFAOYSA-N 447.922 5.094 30 20 IKED COc1cccc2c1CC[C@H]2NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 470582943 LRUNNBVRRKXGKF-XMMPIXPASA-N 427.504 5.263 30 20 IKED N#Cc1ccc(-c2nnc(CN3CCCCC[C@@H]3c3ccc(C(F)(F)F)cc3)o2)cc1 471007183 PPSUBKGMQFHWRB-HXUWFJFHSA-N 426.442 5.744 30 20 IKED COc1ccccc1[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1Cl 471684021 ZENUARIYGKJWQI-HSZRJFAPSA-N 430.895 5.149 30 20 IKED C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CCC(Oc2cccc(C#N)c2)CC1 472651460 PQEMNBKPUZPPQR-CQSZACIVSA-N 443.334 5.519 30 20 IKED COc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(OC(C)C)c1 474965140 HBCIJHWVBXDBCV-HNNXBMFYSA-N 428.460 5.374 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(Nc2cc(OC)cc(OC)c2)CC1 475569255 GXZRLKCCSUZQTC-UHFFFAOYSA-N 437.584 5.664 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC(OCc2cccc3ccccc23)C1 478796661 QJLCFMPDHQKZLZ-SFHVURJKSA-N 431.561 5.667 30 20 IKED O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CCC(F)(F)C1 480728442 KZNGRHNHLIWKRD-RDDDGLTNSA-N 443.256 5.879 30 20 IKED C[C@@H](C#N)CN(C)C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482343242 HBVLORFBQXKRAP-QPUJVOFHSA-N 435.290 5.129 30 20 IKED N#C[C@H](C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1nccc2ccccc12 483198319 LKCJWXPWLCKXLN-QFIPXVFZSA-N 425.469 5.784 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@@H](C#N)c3cnc4ccccc4n3)c2)cc1 483206040 VEFVSHFBGYQGFK-DEOSSOPVSA-N 449.510 5.220 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)nnc1-c1ccccc1C 488925097 IWHARNGMKSZHJG-ZDUSSCGKSA-N 448.379 5.261 30 20 IKED CC(C)(C)n1ncc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)c1-c1ccccc1 489716318 NDNIEFOLLINZAV-IBGZPJMESA-N 437.341 5.062 30 20 IKED O=C(Nc1cc(F)c(OC(F)F)cc1F)N[C@H](c1cccc(F)c1F)C(F)(F)F 491412206 FPSKDPSPKRDYKD-CYBMUJFWSA-N 432.242 5.270 30 20 IKED CCOCCOc1ccc(Br)cc1NC(=O)N[C@H](CCC#N)c1ccccc1 493766666 QIEABXXRNQWPNP-GOSISDBHSA-N 446.345 5.031 30 20 IKED CCOc1c(Br)cc(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1OC 500305352 SKLSPQRTSJZTHT-UHFFFAOYSA-N 445.357 5.026 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Oc3ccccn3)cc2)cc1C 505746997 DTWRWQJHFBGIAU-UHFFFAOYSA-N 437.503 5.520 30 20 IKED CC1(C)CN(C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)CC[C@H]1C(F)(F)F 505810960 DNRYZQNNXDCFAM-CQSZACIVSA-N 430.364 5.599 30 20 IKED CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1 505981112 IKCRMLOTIUJDAE-LJQANCHMSA-N 432.351 5.106 30 20 IKED Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3cc(-c4ccccc4Cl)nc4ccccc34)nc12 506000766 CUGUBNZCOZGECW-GOSISDBHSA-N 437.890 5.625 30 20 IKED O=C(CN[C@@H](c1c(F)cccc1F)C(F)(F)F)Nc1ccc(Cl)cc1C(F)(F)F 506302154 RUDKDWKMQGNYSQ-HNNXBMFYSA-N 446.725 5.469 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(C(=O)Nc3ccccc3)c2)cc1 506767198 LSFYVXJZVJKHRQ-UHFFFAOYSA-N 439.515 5.005 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)CCCOc2ccccc2)cc1 508244363 XVQVJTQKAOBBNY-UHFFFAOYSA-N 431.492 5.292 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 510144431 HGUDYNGUVHTXGK-UHFFFAOYSA-N 442.519 5.020 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccc(OC(F)F)c(F)c1 511285219 JGFDPNRPVLBGBW-UHFFFAOYSA-N 428.435 5.380 30 20 IKED CCN(C)C(=O)c1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 511553064 JDDGWVCEIFCCLN-QFIPXVFZSA-N 431.923 5.340 30 20 IKED Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(CCC#N)Cc1ccccn1 513750097 ALDOGLCYVZFHJI-UHFFFAOYSA-N 441.510 5.423 30 20 IKED Cc1ccc(-n2nc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c3c2CCC3)cc1 516713571 UJHCDAXZSQDDNK-OAQYLSRUSA-N 449.539 5.155 30 20 IKED Cc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1C(=O)NC(C)C 518209336 SBJFPWMJFYYLJY-UHFFFAOYSA-N 443.572 5.550 30 20 IKED N#CCCN(C(=O)CCC(=O)N(Cc1ccco1)c1ccc(Cl)cc1)c1ccccc1 518422195 NLWFODUGVHYUBD-UHFFFAOYSA-N 435.911 5.193 30 20 IKED COc1ccc(Cl)cc1N1CC[C@H](NC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 518755617 LDCKOOBRGPJXBC-RDJZCZTQSA-N 444.988 5.143 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 521333275 DUISWBWSEJZMHD-JOCHJYFZSA-N 434.337 5.252 30 20 IKED COc1cccc(/C=C(/CC(=O)NC2(C#N)CCSCC2)c2nc3ccccc3s2)c1 535319148 RLPLJQPSPSJFDC-AQTBWJFISA-N 449.601 5.141 30 20 IKED C=C(C)[C@@H](CC(=O)N(CC)[C@@H](c1ccc(Br)cc1)c1cccnc1)OCC 535966128 HVRASGHWPHPTBN-IRLDBZIGSA-N 431.374 5.153 30 20 IKED CN(Cc1ccc(F)cc1F)C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 536786330 YLNYFHMQLMENDK-UHFFFAOYSA-N 434.315 5.159 30 20 IKED CCCN1C(=O)CCc2cc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)ccc21 538051534 IUUUQQYSWDKEJK-UHFFFAOYSA-N 439.515 5.079 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C)n(-c2ccccc2Cl)n1 540647132 FBOAOMNRWLBIGF-UHFFFAOYSA-N 443.894 5.454 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)c3c[nH]cc3-c3ccc(Cl)s3)n2)c(Cl)c1 541141941 SIMAQDITAKYRQL-UHFFFAOYSA-N 428.304 5.360 30 20 IKED COc1c(C)cnc(CN(C)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C 542086126 QMTAZPCUHXDOAL-LJQANCHMSA-N 428.536 5.148 30 20 IKED CCC(C)(C)OCc1ccccc1NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 542717929 KLYIDIYBDVVJAR-HXUWFJFHSA-N 438.547 5.193 30 20 IKED Cc1occc1C(=O)Nc1cc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)ccc1F 550723105 LAEYKEFJINBMGE-UHFFFAOYSA-N 432.455 5.048 30 20 IKED N#CCCn1ncc(C(=O)N2CCC([C@H](F)c3ccccc3F)CC2)c1-c1ccccc1 552794381 ZDMYLPWECVKVKJ-QHCPKHFHSA-N 434.490 5.166 30 20 IKED CN(CCOCc1ccc(C#N)cc1)C(=O)Nc1ccccc1CN(C)C1CCCCC1 558178393 IIZDZIGYFOCHMC-UHFFFAOYSA-N 434.584 5.003 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)Cc3csc(-c4ccccc4Cl)n3)cc2)ccn1 558558534 ZUHVPVOKDZEBCP-UHFFFAOYSA-N 446.919 5.704 30 20 IKED Cc1nc(C(C)C)sc1[C@@H](C)N(C)CC(=O)Nc1ccccc1SC[C@H](C)C#N 559378039 IWLMJMWNEQOGSU-NVXWUHKLSA-N 430.643 5.458 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(CC(=O)Nc2ccc(C)cc2C)no1 561912521 KNRAKEKSUGAKHQ-UHFFFAOYSA-N 431.414 5.118 30 20 IKED CCN([C@@H](c1ccc(C(C)C)cc1)c1cccnc1)S(=O)(=O)Cc1ccc(C#N)cc1 566848148 MSPWFCKFFSHUCY-VWLOTQADSA-N 433.577 5.018 30 20 IKED CSc1nc(C2CC2)cc(-c2nc(-c3cccc(NC(=O)c4ccco4)c3)no2)c1C#N 576429396 AFGXTIUBJIJVQE-UHFFFAOYSA-N 443.488 5.115 30 20 IKED CN(C(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)[C@H]1CC[C@@H](C(F)(F)F)CC1 578362963 HBHAXBPPWDGINC-UHIISALHSA-N 434.783 5.845 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)C2CCC(OC[C@H]3CCCO3)CC2)cc1 579263176 LXSCVBNHXCKWLS-ZZVXHFGESA-N 448.563 5.025 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)cc2)cc1 601432886 RLYNRUDJBQJIHX-FQEVSTJZSA-N 427.460 5.784 30 20 IKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCCc3nnc(-c4ccccc4)o3)c2C#N)C1 603635986 AKPUMYSMZVCRSF-QGZVFWFLSA-N 448.592 5.782 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)cc1 603721974 YNHYIIDHYBQRRF-FQEVSTJZSA-N 437.952 5.047 30 20 IKED CC(C)(C)c1noc(CCCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1 603759144 VAGINEWPQIYYPB-IBGZPJMESA-N 436.943 5.637 30 20 IKED CN(Cc1cccc(Br)c1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 604083789 ZHALGSMXXYQAAL-UHFFFAOYSA-N 441.354 5.032 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cnc(Cc4ccc(F)cc4)s3)cn2)c1 608896842 ATZAFHQFYWOPKJ-UHFFFAOYSA-N 430.464 5.184 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CC3)c2)c1 608939774 MDAWPSALSBXOJO-UHFFFAOYSA-N 449.432 5.500 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)[C@H]3CC=CC[C@@H]3c3nc4ccccc4s3)CC2)c1 609184836 IGWBYZJITOXQOL-VXKWHMMOSA-N 443.572 5.288 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCCC[C@@H]3c3cc4ccccc4[nH]3)cn2)cc1 609398969 ASOHDFKBRDCMCQ-XMMPIXPASA-N 437.503 5.986 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccccc1)c1ccccc1OC 609401661 OZWSWMISOREICY-XMMPIXPASA-N 431.492 5.091 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3CCN(c4ccc(F)cc4F)C3)cc2)c1 609433655 AJKPPMOIAOVHHG-IBGZPJMESA-N 434.446 5.029 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3nc(CN4CCCCCC4)cs3)cc2)cc1 609521506 LINHESFAXKZTIP-UHFFFAOYSA-N 446.576 5.630 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cccc(Oc4nccs4)c3)c2)c1 609907229 YVVPWIURJPWKOT-UHFFFAOYSA-N 427.485 5.638 30 20 IKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(OC4CCOCC4)cc3)c2C#N)C1 610221357 SWWISDGQMXSVRD-QGZVFWFLSA-N 438.593 5.581 30 20 IKED CC(C)(C)Oc1c(F)cc(NC(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1F 679886044 RCZDLHYOFFSLMA-NXEZZACHSA-N 434.327 5.347 30 20 IKED N#Cc1ccc(NC(=S)Nc2cccc(COCC(F)(F)C(F)F)c2)cc1Cl 726468087 QSGSFJRUSVKWPG-UHFFFAOYSA-N 431.842 5.438 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)cc1 726940520 MXHQLZRFCVUWFA-UHFFFAOYSA-N 426.545 5.724 30 20 IKED CCOCCOc1c(Cl)cccc1NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 728270350 IPYYNJBHHRYIJK-UHFFFAOYSA-N 437.927 5.287 30 20 IKED N#CCSc1ccccc1C(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 728882565 AJUKWXDBIVLUCQ-UHFFFAOYSA-N 438.556 5.144 30 20 IKED C[C@@H](OC(=O)c1ccccc1-c1ccccc1C#N)C(=O)Nc1ccccc1C(F)(F)F 729850311 FCRVVISQPVDNND-OAHLLOKOSA-N 438.405 5.428 30 20 IKED Cc1sc2ncnc(SCC(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c2c1C 730416927 JFQVVEGCBIWDBC-LBPRGKRZSA-N 428.539 5.026 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 730921482 ZELSQACHBADKQE-SDHSZQHLSA-N 446.506 6.083 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1 731063155 NIHNXSCMRDEMTD-GOSISDBHSA-N 446.528 5.526 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(F)c(Cl)cc1Cl 731068788 FDLUIDAQRBCWKQ-NSHDSACASA-N 441.311 5.180 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3ccsc3NC(=O)c3ccco3)c2)c1 731470604 AODIDPIOTPIOKR-UHFFFAOYSA-N 443.484 5.296 30 20 IKED Cc1cc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c(C)n1[C@H](C)c1ccccc1 731645790 SOMAJHONWXSECB-OPAMFIHVSA-N 425.454 5.728 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCCN(C)C(=O)OC(C)(C)C 732116205 CMBGJAXNXPLURI-UHFFFAOYSA-N 439.531 5.186 30 20 IKED C=CCN(CC1CCCCC1)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 732643446 DIQUWIWHCKLKGK-XDJHFCHBSA-N 448.679 5.324 30 20 IKED C[C@@H](Oc1ccc(F)cc1Cl)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 733682503 MEPRJIDGLBJULE-MLGOLLRUSA-N 425.872 5.118 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H](Oc2ccc(Cl)cc2)c2ccccc2)c1 733773298 YKJINWLTARTKEF-URXFXBBRSA-N 434.923 5.457 30 20 IKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC[C@@H](COCC)C2)c1=S 733788969 JHHSSZAVAUWJHG-LJQANCHMSA-N 428.646 5.271 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@H](C)[C@H]2c2ccc(C)cc2)ccc1OC 739026609 WZLIONKNOCTILI-SWHJIRTISA-N 435.568 5.367 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCC(OCCc4ccccc4)CC3)c2)s1 740057321 CZSLZIXLJDNRCQ-UHFFFAOYSA-N 445.588 5.220 30 20 IKED COc1ccc(Cl)c(NC(=S)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 743037692 TYJNCFZFTMBTLO-UHFFFAOYSA-N 427.888 5.961 30 20 IKED O=C1/C(=C\c2ccc(Oc3cnccn3)cc2)CCc2nc(-c3ccccc3F)sc21 743055554 FKKJNQUVUVFNNG-SSZFMOIBSA-N 429.476 5.744 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 744032599 HLBKXRQTBTUQGE-KRWDZBQOSA-N 447.709 5.102 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)c1nc(-c2ccc(Cl)cc2)cs1 744034775 LJMOGKJPYVMNKC-RCCFBDPRSA-N 436.920 5.215 30 20 IKED N#C[C@@H]1C(CN(Cc2ccccc2)Cc2ccc(F)cc2)=CC(=O)n2c1nc1ccccc12 746155826 AOICVRIDOQJQOT-HSZRJFAPSA-N 436.490 5.065 30 20 IKED COc1cc(C(C)=NNc2nc(C(F)(F)F)nc3ccccc23)ccc1SC(F)F 746489638 ZNZJOWTVNRRGQJ-UHFFFAOYSA-N 442.413 5.808 30 20 IKED COc1cc(OC)cc(Oc2ccc(/C=C\C(=O)c3ccc(N4CCOC4=O)cc3)cc2)c1 748583776 GEYLDXCMOIOLTD-XGICHPGQSA-N 445.471 5.349 30 20 IKED CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c2)o1 752237785 KBRQCQZTPQGGTP-DHZHZOJOSA-N 439.895 5.418 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H](CC)Cc2ccccc2Br)c1 757654986 KAELFXRONCOODC-HKUYNNGSSA-N 429.358 5.015 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccc(Oc4cccnc4)nc3)c2)s1 760807611 GFUJWVMIOJNSPR-UHFFFAOYSA-N 427.489 5.191 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCn3ccc4cc(Cl)ccc43)n2)cc1 760972920 ITYIFHDAYDVTSW-HXUWFJFHSA-N 444.947 5.947 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc2c(ccn2Cc2ccccc2)c1 763928151 BEFLESQLUGOXKU-VWLOTQADSA-N 449.554 5.776 30 20 IKED O=C(O)C(=O)/C(=C\c1cccc(OCc2ccc(F)cc2)c1)c1ccc2ccccc2n1 766682273 DZRFEFPCWCEHIQ-JCMHNJIXSA-N 427.431 5.147 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](O)c1ccc(-c2ccccc2)cc1 767761111 BNMZTISWEMLSQQ-JPYJTQIMSA-N 431.561 5.603 30 20 IKED COc1ccccc1-c1nc(COC(=O)c2cn(CCCC#N)c3ccccc23)cs1 769545077 RQKZABCSZSWNEN-UHFFFAOYSA-N 431.517 5.434 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2C[C@H](c3ccccc3)c3ccccc32)ccc1OC 770610457 DRJOACRLTBLTOM-FYYLOGMGSA-N 441.531 5.238 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(O)(c4c(F)cccc4F)CC3)c2)cc1 779424325 KPKPHRGTSSEFDR-UHFFFAOYSA-N 449.457 5.144 30 20 IKED Cc1nc2cc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)ccc2n1-c1ccccc1 780305949 OQZNUBPEKYIZSR-HSZRJFAPSA-N 444.494 5.448 30 20 IKED CC(=NOCc1ccc(OC(F)F)cc1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 784048735 DKGGLSZSJSYTAH-UHFFFAOYSA-N 440.372 5.137 30 20 IKED O=C(O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cnn(CCC(F)(F)F)c1 784053167 ITGWTVPEKAYDMN-GFCCVEGCSA-N 434.258 5.315 30 20 IKED CC(C)(C#N)CCCOC(=O)c1cc(-c2cccnc2)nc2c(Br)cccc12 786325433 RUKXDOXLJIAXAK-UHFFFAOYSA-N 438.325 5.546 30 20 IKED CC[C@@H](NC(=O)[C@H](C#N)C(=O)c1sc2nc(C(F)(F)F)ccc2c1C)c1ccccc1 787039508 GVRDXTMKJGGDRK-HZPDHXFCSA-N 445.466 5.214 30 20 IKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc2nc(-c3ccccc3)oc2c1 796630765 QRBROZDJMRTILC-INIZCTEOSA-N 433.826 5.248 30 20 IKED COc1ccc(CNC(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)cc1C#N 797667838 FRZIJLNEPCSQOF-UHFFFAOYSA-N 432.427 5.031 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 798391256 DKRLERWSVMQOBI-OAHLLOKOSA-N 425.410 5.815 30 20 IKED Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)cc1C#N 799309598 IJHKQUUMZPFTNR-UHFFFAOYSA-N 441.384 5.529 30 20 IKED N#CC1CCC(CNC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)CC1 799386683 ZEKFLWIZSUKKJG-UHFFFAOYSA-N 449.352 5.119 30 20 IKED Fc1ccc(Br)c(F)c1C=Nn1cnnc1SCc1ccc(Cl)cc1 799873312 OTYAWTPFFNRXNI-UHFFFAOYSA-N 443.704 5.147 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1cccc(F)c1C#N)C(=O)c1ccccc1 811686953 ALJGYVHIURYGON-JWGURIENSA-N 426.491 5.727 30 20 IKED CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N[C@@H](CCCC#N)c2ccccc2)CC12CCC2 814349578 VRPAZTPVQLUTAR-RTWAWAEBSA-N 440.588 5.043 30 20 IKED CC(=O)N(c1nc(COC(=O)c2cscc2C#N)cs1)c1c(C)cc(C)cc1Cl 814614041 OIAFFGWFONTSIV-UHFFFAOYSA-N 445.953 5.388 30 20 IKED N#C[C@H](C(=O)C1(Cc2ccc(F)cc2)CCOCC1)c1nc2cc(Cl)ccc2s1 815913194 KHLKUOYAASTPKL-QGZVFWFLSA-N 428.916 5.305 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc3ccc(Br)cc3[nH]2)cc1 915085137 HAMNNYVBRRYKBQ-HXUWFJFHSA-N 430.305 5.838 30 20 IKED COc1cc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cccnc2)ccc1OC(F)F 916127069 ZPTWGLVJRSZBGZ-LUAWRHEFSA-N 447.441 5.440 30 20 IKED CCCCOc1c(Cl)cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(C)c2)cc1OCC 916896561 KQHXAQRUHVBPQJ-GOSISDBHSA-N 428.916 5.187 30 20 IKED C=CCN(Cc1ccc(OC)cc1)Cn1nc(Nc2cccc(OC)c2)sc1=S 917485791 YBCVDPLINGVRGV-UHFFFAOYSA-N 428.583 5.081 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCN(c4ccc(Cl)cc4)C3=O)n2)cc1 920110556 OAGSKENJWXDIFI-RBUKOAKNSA-N 435.936 5.001 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3cccc(Br)c3)n2)cc1 920143373 PJUZMOBFDPRKQP-GOSISDBHSA-N 441.350 5.390 30 20 IKED CCn1c(O)nc2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)ccc21 1629955556 LLFOKSFLVDAMHF-LJQANCHMSA-N 430.895 5.323 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5cc(Cl)ccc45)CCC3)cc2)C1 1785807762 PMAIIYLSFZFDNQ-UHFFFAOYSA-N 433.939 5.535 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)COCc3ccccc3)cc2)CCC1 1787892993 GLJVNFABIFFKLT-XMMPIXPASA-N 432.564 5.106 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccccc3)cc2)CCC1)C(F)(F)F 1791534084 RJRLNDHBNJACGP-PMACEKPBSA-N 428.454 5.043 30 20 IKED COc1ccc(Cl)c(C(=O)Nc2ccc(C3(NC(=O)[C@H](S)C(C)C)CCC3)cc2)c1 1792083618 DVTIRXYPBHOGGQ-HXUWFJFHSA-N 447.000 5.051 30 20 IKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc5ccccc5c4)CCC3)cc2)CCC1 1792229457 CEWJITOKLGLOPL-UHFFFAOYSA-N 437.543 5.210 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCc2cccc(Cl)c21 1801426996 UDFVOKQINGLQNT-IYWMVGAKSA-N 429.004 5.000 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccccc3n2C)n[nH]1 1818438254 WDPRUGHFBXCIMG-OAQYLSRUSA-N 447.583 5.200 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(C)CCCCC3)[nH]n2)c1 1823216231 DWQWZZCRSIQCOO-AVRDEDQJSA-N 447.583 5.313 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccoc3s2)CC1 1827410425 OCXBSTMUWAJHFM-LEWJYISDSA-N 440.609 5.496 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nccc3occc23)CC1 1829067790 XUDYGQVHJFHUKG-OAQYLSRUSA-N 437.584 5.054 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CSC2CCCC2)CC1 1829068035 AKWZBETWBJSCKK-QFIPXVFZSA-N 434.690 5.274 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2OCC)CC1 1830606687 UCRZCUFDBGIPIT-GCJKJVERSA-N 447.019 5.184 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)C)cc2F)CC1 1831374344 OMUKDQOSOCVZBA-CYFREDJKSA-N 444.591 5.058 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3C)CC2)C1 1832700233 QELYCAYRWSYLMH-QFIPXVFZSA-N 448.529 5.213 30 20 IKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)c2cc3c(Cl)cccc3s2)C1 1843804485 VOPCPBMWZYANLP-UHFFFAOYSA-N 428.985 5.140 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(Cl)sc2Cl)n(C2CCCC2)c1C 10320811 GCURBEHTVOECEO-UHFFFAOYSA-N 440.352 5.256 30 20 IKED Cc1cc(C)c(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2cccc(O)c2)cc1C 11126431 CYPXTZNLEQFZPY-UHFFFAOYSA-O 441.576 5.809 30 20 IKED C=CCN/C(S)=C(\C(=O)c1cc(C)c(C)cc1C)[n+]1ccc(Cc2ccccc2)cc1 22687472 XFEFWSUAUUNLOB-UHFFFAOYSA-O 429.609 5.205 30 20 IKED CC1CCN(C[C@@H]2CCCN(C(=O)c3ccccc3Sc3ccccc3C#N)C2)CC1 60275811 HTQJMMRENUEBDB-NRFANRHFSA-N 433.621 5.294 30 20 IKED C[C@@H](NC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1)c1ccc(C#N)cc1 65433769 UMDJBERNLZEDEU-ZHRRBRCNSA-N 434.337 5.471 30 20 IKED CC(C)Oc1ncc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1Cl 108377758 ACCJBLMJMOFRQH-UHFFFAOYSA-N 435.911 5.420 30 20 IKED COc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc(Cl)c1OCC(C)C 303325962 VJSXVULMFOWJOV-HNNXBMFYSA-N 432.973 5.887 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)[nH]1 303336227 XOLOTKXGEZDDNI-ZDUSSCGKSA-N 443.985 5.108 30 20 IKED Cc1nc2cc(C(=O)Nc3ccccc3SC[C@H](C)C#N)ccc2n1Cc1ccsc1 409539816 VYYHJCXOVCMKBE-MRXNPFEDSA-N 446.601 5.959 30 20 IKED C=CCC[C@H](C(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1)c1ccccc1 427802239 CWJCWYPQXQFGES-PKTZIBPZSA-N 442.563 5.118 30 20 IKED Cc1nc(-c2ccc([C@H](C)NC(=O)c3cnn(CCC#N)c3-c3ccccc3)cc2)cs1 428286837 SDBNIXVGRAWRQF-KRWDZBQOSA-N 441.560 5.387 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cccc(F)c3Br)c2)c1 431990313 FGLDCXMJSVXCNJ-UHFFFAOYSA-N 425.257 5.291 30 20 IKED N#C[C@@H](C(=O)c1ncccc1OCC(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1 437392454 YXFADJYJGPMGLK-ZDUSSCGKSA-N 437.830 5.290 30 20 IKED Cc1nc(CCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)oc1-c1ccccc1 437498553 OCBAOGKPCBWWHI-UHFFFAOYSA-N 441.462 6.024 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)Nc3ccc(OC4CCCC4)cc3)cc2)cc1 437546734 KTSYTBFPNGCZHW-UHFFFAOYSA-N 441.487 5.249 30 20 IKED Cc1cc(Sc2ncccn2)ccc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 438131598 XSWPEHPFEVJOMN-UNMCSNQZSA-N 429.549 5.240 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2nc(COc3ccc(F)cc3)no2)cc1 438735695 QPIQPRIJSZQKNU-UHFFFAOYSA-N 446.457 5.001 30 20 IKED Cc1sc2ncnc(Sc3ccccc3C(=O)NCC3CCC(C#N)CC3)c2c1C 441133637 HANOWFPVJZBHOY-UHFFFAOYSA-N 436.606 5.519 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](Oc2ccccc2Cl)C1 443936073 DCAUUQAMLLSVNE-SJORKVTESA-N 429.973 5.810 30 20 IKED CC[C@H]1C(=O)N(c2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C(=O)N1C1CC1 445930125 OAVCYHCQXNEVGM-SFHVURJKSA-N 429.398 5.079 30 20 IKED CN(C)[C@@H]1CCOc2c(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)cccc21 447731278 SDRPPFSUZUQXPZ-JOCHJYFZSA-N 429.545 5.347 30 20 IKED N#CCCN(C(=O)CSCc1coc(-c2ccccc2)n1)C12CC3CC(CC(C3)C1)C2 460456068 GOKDBWIXGODWLE-UHFFFAOYSA-N 435.593 5.286 30 20 IKED C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CC=C(c2cccc3ccccc23)CC1 460567939 QNCGGAQDVAAJGW-HXUWFJFHSA-N 432.568 5.025 30 20 IKED C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 460582647 IXHAAMBAOKPEIA-LJQANCHMSA-N 446.536 5.381 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3c[nH]cc3-c3ccc(F)cc3)c2)cc1 460748950 ZBQGORKUWWXKRJ-UHFFFAOYSA-N 425.463 5.718 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2ncc(-c3ccccc3)cn2)c1 461199602 YRPQJYYFSSJHIO-UHFFFAOYSA-N 440.890 5.391 30 20 IKED C[C@@H](C#N)CSc1ccccc1NCC(=O)NCC1(c2ccc(F)cc2)CCCC1 462241010 YEPIKQMPJLTANH-SFHVURJKSA-N 425.573 5.118 30 20 IKED COc1ccc([C@@H](NCc2cccc(OCCCC#N)c2)c2ccccc2Cl)c(C)c1 462755574 MFJSYECFSLDSJV-AREMUKBSSA-N 434.967 6.219 30 20 IKED C[C@@H](C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1)c1cccc(C#N)c1 463601322 XKGHNAIXOHPULI-OAHLLOKOSA-N 435.886 5.023 30 20 IKED CCOc1ccc(-n2c(SCCCSCC#N)nnc2-c2ccccc2Cl)cc1 466621716 ZSHMIGZNSJEBRF-UHFFFAOYSA-N 445.013 5.725 30 20 IKED CC(C)(C)c1ccc(C(C)(C)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 470772545 KNKZYGPBVBORPU-UHFFFAOYSA-N 431.580 5.483 30 20 IKED O=C(Nc1cc(F)cc(NCC(F)(F)F)c1)c1cnn(-c2ccccc2)c1C(F)(F)F 473256721 MUVQGODVJXQWEI-UHFFFAOYSA-N 446.326 5.257 30 20 IKED Cc1nn(C(F)F)c(C)c1CC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 474263422 GJWWHCDFLWSROO-AWEZNQCLSA-N 443.338 5.266 30 20 IKED Cc1cc(F)c(Br)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 475087311 RCMACJGSWGROPF-UHFFFAOYSA-N 429.245 5.193 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCc2[nH]c3ccc(C(=O)OC)cc3c2C1 475566480 HOVSXEDPZDRTTD-UHFFFAOYSA-N 431.536 5.397 30 20 IKED N#CC[C@H](CC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 475646477 FIIAYNVIYACQTE-DYESRHJHSA-N 444.362 5.401 30 20 IKED C=CCOc1ccc(CNC(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)cc1 476132225 CQROGWCULZMZHW-HKBQPEDESA-N 434.561 5.022 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 477065018 AFXTWFLHRXCMNN-UHFFFAOYSA-N 437.588 5.593 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCCOc1ccc(Cl)c(F)c1 479578099 WIQMNNUARHVITA-CQSZACIVSA-N 438.977 5.482 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1nc(-c2cc3ccccc3o2)cs1 480559537 WEJCWUZVLMNWIC-OAHLLOKOSA-N 448.573 6.130 30 20 IKED C=CCn1c(SCC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)nnc1-c1cccs1 481366499 CKZVOQARFBANOQ-QGZVFWFLSA-N 438.622 5.112 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nccc4ccccc34)s2)cc1OC 483201030 WJPZMUQHWJIVDC-GOSISDBHSA-N 429.501 5.174 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@@H](CCCC#N)c1ccccc1 487177460 PYNXVZDYJJQMRG-FQEVSTJZSA-N 435.524 5.613 30 20 IKED N#CCCC[C@@H](NC(=O)c1cc(Cl)ccc1I)c1ccccc1 487221717 SKPQLFYIYNFMSD-QGZVFWFLSA-N 438.696 5.110 30 20 IKED Cc1ccsc1-c1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)o1 488815208 AITQOLXKKKEPFU-UHFFFAOYSA-N 441.582 5.242 30 20 IKED C=CCn1c(S[C@H](CC)C(=O)c2ccc(NC(C)=O)cc2)nnc1-c1ccccc1C 488935173 RNTRSVOYORTGDA-OAQYLSRUSA-N 434.565 5.152 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(-n2cnc3ccccc32)cc1 489203609 ZUVMMJMJGPGCCI-UHFFFAOYSA-N 442.567 5.091 30 20 IKED C[C@H](N[C@@H](C)c1cc(F)c(Cl)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 492849388 BNNXTKXXWDMJRU-UWVGGRQHSA-N 426.344 5.232 30 20 IKED CC1(C)C(=O)Nc2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cc21 494531629 KWHOFZBPAVLTRB-IBGZPJMESA-N 429.907 5.477 30 20 IKED CSc1cc(C(=O)N[C@H](C#N)c2cccc(Br)c2)c(Cl)cc1Cl 496223963 DOZPHMJXHSPHBC-CQSZACIVSA-N 430.154 5.472 30 20 IKED CCOc1ccc(N(C(=O)[C@H](C)Oc2ccccc2C#N)c2nc3ccccc3s2)cc1 502775279 VAXTXJGJDBSZTL-KRWDZBQOSA-N 443.528 5.699 30 20 IKED O=C(NCCc1ccccc1C(F)(F)F)c1cnn(-c2ccccc2F)c1C(F)(F)F 502817580 NXRLOWNOOGMCDU-UHFFFAOYSA-N 445.338 5.022 30 20 IKED Cc1cccc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1NC(=O)c1ccccc1F 504014900 XUZPQCMBNCTFGW-UHFFFAOYSA-N 439.490 5.188 30 20 IKED Cc1cc(NC(=O)c2oc3ccccc3c2CSc2ccccc2F)nn1CCC#N 504133446 WFGQZBAGGCZPEU-UHFFFAOYSA-N 434.496 5.535 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)NC2(c3ccc(Cl)cc3)CCOCC2)cc1 505116911 IBUHTEYXDWGTQQ-UHFFFAOYSA-N 446.934 5.226 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 506194039 YEHKQTQDZIGZBX-SFHVURJKSA-N 443.507 5.087 30 20 IKED CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)N1CCC(C)(C#N)CC1 506735788 GXEUQCOKEYDKBD-UHFFFAOYSA-N 431.945 5.403 30 20 IKED O=C(NCc1cccc(OCC(F)(F)F)c1)Nc1ccc(F)cc1OCC(F)(F)F 506896003 GSLPSZQZFFCOSK-UHFFFAOYSA-N 440.315 5.030 30 20 IKED COc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1-c1ccnn1C 506979342 NEDCEYDSCRVIQL-UHFFFAOYSA-N 438.487 5.320 30 20 IKED COc1ccc(Cl)cc1CN(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509896782 HZAVOGIXCKUQKU-UHFFFAOYSA-N 449.938 5.658 30 20 IKED Cc1cc(C)cc(OCCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 510612388 CZAFBZYKJGJUQT-UHFFFAOYSA-N 429.520 5.149 30 20 IKED COc1ccc(Cl)cc1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511420671 LGURIXUQSKKMPT-UHFFFAOYSA-N 435.911 5.315 30 20 IKED COCC[C@](C)(C#N)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1Cl)CC2 514755724 NURDTTRWYLOTDN-DHIVUKOYSA-N 445.950 5.424 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3cc(F)cc4c3OCOC4)cc2Cl)cc1 515713922 YPLMUBKJZPSSFN-UHFFFAOYSA-N 438.842 5.191 30 20 IKED N#CCCSc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 517441008 MGOCEXYNEGLJNZ-UHFFFAOYSA-N 441.965 5.912 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 517520921 YZSYGJWLXLQOBM-AWEZNQCLSA-N 438.503 5.286 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 518140078 BZHWIBIMOIGNPA-UKRRQHHQSA-N 448.375 5.237 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 519442930 ZPRNTHVTFHKXLF-OAQYLSRUSA-N 441.984 5.332 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccccc3)C[C@@H]3CCCO3)cc2)cc1 519988576 ADYFJIDUFXZTFZ-VWLOTQADSA-N 427.504 5.564 30 20 IKED CCCO[C@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 520850842 YDHZCSLDVQPZDG-RBBKRZOGSA-N 425.960 5.808 30 20 IKED C[C@H](SCC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nc2ccccc2[nH]1 521323958 AECIEUYSCLLELZ-INIZCTEOSA-N 428.517 5.660 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ncc(-c4ccccc4)o3)cc2F)c1 521427106 COFACRWOLYFRMQ-UHFFFAOYSA-N 442.450 5.253 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c12 521800062 HKJRLDPTHUVZQK-HNNXBMFYSA-N 447.608 6.019 30 20 IKED C[C@]1(c2ccccc2)CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCO1 532360737 DYCOXSPTPYHXRS-HHHXNRCGSA-N 441.531 5.111 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cccc1-c1ccccn1 533667137 NNNJEIHAHRCNNE-KRWDZBQOSA-N 431.467 5.949 30 20 IKED CC[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H](c1ccc(C)cc1)n1cncn1 535217172 SYNXYDBBZBWHCJ-RFWXGWTQSA-N 448.596 5.171 30 20 IKED N#CC1(CCCNc2cc([N+](=O)[O-])ccc2Nc2cccc(C(F)(F)F)c2)CCOCC1 538612030 SYTFUJWTQPEBBQ-UHFFFAOYSA-N 448.445 5.870 30 20 IKED CCc1ccc(N(C(C)=O)c2nc(CSc3cccc(Cl)c3C#N)cs2)cc1 540050809 ZAGNJYJDBKEULP-UHFFFAOYSA-N 427.982 6.207 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1ccccc1S[C@H](C)CC#N 541112899 AKHFBHIZAAJJFN-CYBMUJFWSA-N 445.466 6.315 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)[C@@H]1OCCc2sccc21 550573780 JMUXYNZVRUDAQY-XDHUDOTRSA-N 434.536 5.551 30 20 IKED CC(C)N(Cc1ccc(NC(=O)c2cc(C#N)ccc2Cl)cc1)C[C@H]1CCCCO1 556957043 GMLSPWRAZOWTNV-OAQYLSRUSA-N 425.960 5.243 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccccc3Oc3ccccc3)CC2)c(F)c1 558227330 HOZWBLIDVDWZBZ-UHFFFAOYSA-N 431.467 5.565 30 20 IKED CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=O)c1ccc(C#N)cn1 558665391 JTGHGUFBYCNMJF-QFIPXVFZSA-N 439.437 5.254 30 20 IKED CC(C)(CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1ccc(C(F)(F)F)cc1 560666943 SMKDJEKGTNIRIJ-UHFFFAOYSA-N 447.476 5.027 30 20 IKED CC(C)(C)c1csc(NC(=O)C(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)c1C#N 569386866 OZISBMZGUSIORK-UHFFFAOYSA-N 437.487 5.334 30 20 IKED CC(C)(CCC#N)CNC(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2 571868272 CQXULXPGSHEBFI-UHFFFAOYSA-N 438.881 5.093 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc(Br)c1OC 576128690 UBFMMBMVYWBESI-CQSZACIVSA-N 443.322 5.080 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12 580109920 XVVOAEBPKPTRQU-UHFFFAOYSA-N 446.522 5.597 30 20 IKED O=C(CCc1nnc(-c2cc3ccccc3o2)o1)Nc1cccc(C#Cc2cccs2)c1 586800300 WULMFQCDEXRMHV-UHFFFAOYSA-N 439.496 5.515 30 20 IKED N#Cc1c(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])sc2c1CCCC2 600840917 BNNFHALFBLOTND-UHFFFAOYSA-N 441.456 5.156 30 20 IKED CCN(CC)[C@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccsc1 603691333 CLDDZGBKHTUMSB-OAQYLSRUSA-N 435.553 5.012 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 604109956 KTMUIAIDMTUCCW-IBGZPJMESA-N 433.335 5.396 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2cccs2)cc1Cl 604159193 AKSVRFGOZFTGRY-TZIWHRDSSA-N 449.963 5.359 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2)cc1 604456724 PBLBOJKYTKMKFY-UHFFFAOYSA-N 445.478 5.457 30 20 IKED N#C[C@@H](C(=O)c1cccc(Oc2cnccn2)c1)c1nc2cc(C(F)(F)F)ccc2s1 606147698 YTWBSFYHKNQSAP-HNNXBMFYSA-N 440.406 5.387 30 20 IKED Cc1ccc(-c2nc(CC(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)cs2)o1 609028353 XBVKXZFMDKHMND-JOCHJYFZSA-N 443.528 5.214 30 20 IKED CCCOc1ccc(OCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 609062110 XXMRJYYXGQQSRR-UHFFFAOYSA-N 430.504 5.252 30 20 IKED COc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)cc1F 609099611 ZPYBAVXVLKNQAV-NRFANRHFSA-N 431.467 5.106 30 20 IKED Cc1ccc(SCC(F)(F)F)c(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1 609908138 CGKJOZHNZOPFDR-UHFFFAOYSA-N 446.450 5.945 30 20 IKED COc1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1N1CCCCC1=O 609986918 LOWGEFLVNOZPFD-UHFFFAOYSA-N 440.503 5.080 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(O[C@H](C)c4ccccc4)nc3)n2)cc1 613319165 SRSINKWUPAFXFT-XMSQKQJNSA-N 439.540 6.144 30 20 IKED C=CCOc1c(Br)cc(CNCc2ccc(OC(C)(C)C)cc2)cc1OC 620125205 KZUGIBGFKUVPRU-UHFFFAOYSA-N 434.374 5.490 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nc(C(F)(F)F)nc2ccccc12 622102329 ZMWIIVDTMKYOST-CYBMUJFWSA-N 437.512 5.406 30 20 IKED O=C(CC1CCC(C(F)(F)F)CC1)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 622585392 YKFQKWNRCGGIKS-JRSKDTKFSA-N 425.388 5.861 30 20 IKED C=CCOc1c(Cl)cc(CNc2ccc(C(=O)NCC(C)C)c(Cl)c2)cc1OC 630069184 PWAPNLFNDDNNFR-UHFFFAOYSA-N 437.367 5.565 30 20 IKED C=CCn1c(S[C@@H](C(=O)N2CCCC[C@H]2C)C(C)C)nnc1-c1ccc(Cl)cc1 639428731 ZQFUBNRACLSFDC-VQIMIIECSA-N 433.021 5.302 30 20 IKED O=C(Nc1ccc(F)cc1OCC(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 678664974 BCJQZAVQJVHRCX-IUCAKERBSA-N 438.290 5.064 30 20 IKED COc1ccccc1CN(Cc1cccs1)C(=S)Nc1ccc(C#N)c(Cl)c1 726440380 BEYQAMLQIMLQPR-UHFFFAOYSA-N 427.982 5.681 30 20 IKED Cc1ccc(C)c(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(O)c2)c1 726570505 BRZUQZUSAXPJOY-UHFFFAOYSA-O 436.944 5.145 30 20 IKED N#C[C@@H](C(=O)[C@@H](OC1CCCC1)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 727039642 XFNNFGAHNIVOMV-REWPJTCUSA-N 436.964 6.340 30 20 IKED COc1ccccc1/C(C)=C/C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 727627004 JRGHSQLABPTZQS-JZUUQJBKSA-N 443.355 6.405 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)N(C)Cc1ccccc1 728062069 IMEJBFRUMFZNOT-GOSISDBHSA-N 433.939 5.250 30 20 IKED O=C(/C=C/c1nccn1CC(F)(F)F)c1ccc(-c2ccc(Br)cc2)s1 728700104 MGJCFRFSOIIQDL-VMPITWQZSA-N 441.272 5.833 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 729574572 ZORIIOJJBGIVER-UHFFFAOYSA-N 426.473 5.162 30 20 IKED N#CCCSc1ccccc1NC(=O)COc1ccc(C2SCCCS2)cc1 730982157 JAIDAWSCXLIWJS-UHFFFAOYSA-N 430.620 5.579 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1csc2c1CC[C@@H](C)C2 731064025 OPLATNPHHSYESV-CABCVRRESA-N 428.579 5.063 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2)c1 731400215 MEJLFFZSBDUWEM-DEOSSOPVSA-N 443.503 5.269 30 20 IKED O=C(/C=C\c1cccc(OCc2ccccc2Cl)c1)c1ccc(C(F)(F)F)nc1O 731564331 APUTXYWFWQMZTL-NTMALXAHSA-N 433.813 5.935 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(-c3ccc(OC)cc3F)cc2F)c1 733772012 WOSOEIWSWPAVDA-GOSISDBHSA-N 436.458 5.251 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ccccc2CN(C)C2CCCCC2)c1 733802258 YGYMGQVNOOJCAJ-RUZDIDTESA-N 448.611 5.131 30 20 IKED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C\c1cc(Br)c(O)c(Br)c1 739423370 AHAUNGSSFZWTOZ-HYXAFXHYSA-N 441.075 5.030 30 20 IKED Cc1cc(C=Nn2c(S)nnc2[C@@H]2CCCCO2)c(C)n1-c1cccc(C(F)(F)F)c1 743451819 JEXSBOPMCTYAFG-SFHVURJKSA-N 449.502 5.117 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 743476128 FPKUUNCXXKDUHW-SCLBCKFNSA-N 430.392 6.256 30 20 IKED N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1 744038962 FGIIBNJEPBWNMJ-HNNXBMFYSA-N 426.259 5.142 30 20 IKED C[C@@H](Oc1ccc(F)c(F)c1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 744939398 YAPJHKCQFWORCY-SKDRFNHKSA-N 426.366 5.237 30 20 IKED C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 747107774 BJRSMABNCDQZCA-SKDRFNHKSA-N 430.118 5.751 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cnc(-c2ccc(C)cc2C)s1 747111612 HBFCIKRQMUQDBZ-HXUWFJFHSA-N 431.561 5.513 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)n1 747199209 RKBVHFPMVGVXFG-PBHICJAKSA-N 436.364 5.054 30 20 IKED N#Cc1ccccc1N1CCC(NC(=O)CSc2cccc3cccc(Cl)c23)CC1 747336101 NJHMYWKTQKURTR-UHFFFAOYSA-N 435.980 5.242 30 20 IKED Cc1nc(C)c(C(=O)N2C[C@@H](c3ccc([N+](=O)[O-])cc3)SC2=Nc2ccccc2C)o1 748667931 SKIIDYPEKHTTMN-IBGZPJMESA-N 436.493 5.126 30 20 IKED C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl 750684744 TXYXYPNXOJQCFI-WFASDCNBSA-N 444.343 5.370 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/COc3c(C(C)C)ccc(C)c3C2=O)cs1 753901199 YTUCJXDFBNNVPO-UNOMPAQXSA-N 446.572 6.227 30 20 IKED COc1cc(F)c(C(=O)/C=C\c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1OC 760270641 RLORNZGEBKCYSD-KHPPLWFESA-N 443.478 5.046 30 20 IKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 762294627 HVFJLEPSFHHWQZ-MHZLTWQESA-N 447.538 5.225 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/Cc3ccc(Cl)cc3C2=O)cs1 762445998 CMFUEGLFVQNQMV-ZROIWOOFSA-N 429.328 5.957 30 20 IKED Cc1ccc(-c2cc(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)c3ccccc3n2)o1 764309703 FACWWMWFCLMQSP-UHFFFAOYSA-N 432.823 5.489 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN(Cc2ccc(OC)cc2)[C@H](C)C2CC2)c1=S 764910676 WJZDEBZMANVUPT-LJQANCHMSA-N 449.624 5.319 30 20 IKED C[C@@H](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C1CCN(C(=O)OC(C)(C)C)CC1 766239012 ZWYSCEMZXBOSMG-DOTOQJQBSA-N 427.570 5.146 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)/C=C\c3ccccc3C#N)C2)n1 772831326 QPQZAHKTOSJANP-GHYICZDASA-N 429.545 5.110 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1c(C=O)cc(Cl)c2ccccc12 774664523 ZDTKDPZXVVJFGM-OAHLLOKOSA-N 438.936 5.717 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2cc(Br)cc(C)c2O)ccc1OC 779032004 MGHCQSMAHQAGNT-WMLDXEAASA-N 433.346 5.004 30 20 IKED CCN(Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)C(=O)NCc1ccc(C#N)cn1 780652361 ZFGBNPIVUHTBRS-UHFFFAOYSA-N 442.563 5.189 30 20 IKED CCCc1c(NC(=S)Nc2cccc(Br)c2)cnn1-c1cccc(C#N)c1 783951577 IHIYXWPOWTZKTR-UHFFFAOYSA-N 440.370 5.268 30 20 IKED CCCc1c(NC(=O)c2c(-c3ccc(F)cc3)noc2C)cnn1-c1cccc(C#N)c1 784709540 OHYYQHHOXRJTFV-UHFFFAOYSA-N 429.455 5.051 30 20 IKED Cc1nc(C(C)(C)C)sc1C(=O)[C@@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 787048679 GYFNSHWMYBKQDN-QMTHXVAHSA-N 438.380 5.256 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(C#N)cc2Cl)cs1 788360170 HPNBKXDESQYHQR-UITAMQMPSA-N 442.327 5.902 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)NC(=S)N[C@@H]1c1cnc(-c2ccc(Cl)cc2)s1 790031945 IPIJZLNKTZCXMJ-LJQANCHMSA-N 443.956 5.122 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C\c2cn(C(C)(C)C)nn2)C(=O)c2ccccc2)c(Cl)c1 790213738 AQORHBGCBSZUGA-UYRXBGFRSA-N 436.943 5.208 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@@H](OC(=O)C[C@@H](CC#N)c1ccccc1)C(F)(F)F 796740010 OLLKJCOVXAFHFS-AUSIDOKSSA-N 441.453 5.723 30 20 IKED CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)C[C@H](CC#N)c3ccccc3)cccc21 805307884 SXQBSPJUCYZAIM-FQEVSTJZSA-N 433.552 5.078 30 20 IKED COc1ccc(/C=C2/Cc3nc(Cl)ccc3C2=O)cc1OCc1ccc([N+](=O)[O-])cc1 806579859 UTQFEYQGNBALIN-YBEGLDIGSA-N 436.851 5.053 30 20 IKED COc1cc(CNC(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)ccc1C#N 810164831 HQCCPKGGZKUJPF-OAHLLOKOSA-N 436.364 5.174 30 20 IKED C[C@@H](Cc1cnc2ccccc2n1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 815912851 AYPRWDHEFYGJHC-SWLSCSKDSA-N 440.450 5.313 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)O[C@H](c2nc3ccccc3o2)C(F)(F)F)o1 816064203 BWJSNNSNZIKSTJ-LJQANCHMSA-N 442.349 5.332 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2ccnc3cc(Cl)ccc23)cs1 916269409 MHMULXXITAHGRW-UHFFFAOYSA-N 449.967 6.092 30 20 IKED C[C@H](SCc1ccccc1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916909186 PAADBOWLCSYXKZ-GHTZIAJQSA-N 430.529 5.448 30 20 IKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1ccccc1Nc1ccc(C)cc1 917506474 ZEKATLMRGAOPJW-HXUWFJFHSA-N 443.503 5.066 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cs1 917562234 XAQMNJASEUBJTJ-VMPITWQZSA-N 440.908 5.148 30 20 IKED COc1ccc2nc(C)c(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2c1 917806944 ZNOGTJWKIQUKNE-UHFFFAOYSA-N 437.499 5.449 30 20 IKED C=CCN(C(=O)c1c(C)oc2ccc(OC)cc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 918552856 YCROHAZQRDGLSU-UHFFFAOYSA-N 449.488 5.614 30 20 IKED N#C[C@H](C(=O)COc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccncc2)cs1 920265476 OYHQRUDYOLZWFQ-JOCHJYFZSA-N 441.512 5.039 30 20 IKED Cc1ccc(Cl)c(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 920805901 HAVCFEKNSHFGKM-CHWSQXEVSA-N 432.879 5.694 30 20 IKED Cc1cccc(-c2cnccc2C(=O)NC2(c3ccc(NC(=O)CCC#N)cc3)CCC2)c1 1787886332 VKJDRDOUIGJLNH-UHFFFAOYSA-N 438.531 5.109 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3SCC)CCC2)cc1 1791727014 KVPUCEGJEOKUSD-UHFFFAOYSA-N 435.593 5.135 30 20 IKED Cc1ccc(-c2ccccc2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C#N)cc2)C3)cc1 1800604965 NEIXVMHTAVWTJE-QEIWAGNOSA-N 449.554 5.099 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(Cl)c2)[C@H]1c1cccnc1 1811815059 JITVPLBMOZCRJT-RBBKRZOGSA-N 439.987 5.047 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C(F)(F)F)c3C)n[nH]2)C1 1823289857 RNLZPKQZXRZCJX-LJQANCHMSA-N 446.473 5.009 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4occ(Cl)c4c3)CC2)C1 1823701190 BTAXMQQJCHCIIQ-QFIPXVFZSA-N 440.971 5.286 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)Nc2ccccc2)CC1 1823752334 QFIGUJLPZFSTQG-QPPBQGQZSA-N 439.644 5.099 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C(C)=C/c2cccnc2)CC1 1823754877 FQNWMHQIANNCGW-CODHLFFDSA-N 437.628 5.097 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C)c2F)CC1 1823902976 GDMIVCVPAKHOQD-FYYLOGMGSA-N 426.576 5.136 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(OC)c2C)CC1 1828829561 JDLDFYHDWUEUEY-VWNXMTODSA-N 438.612 5.005 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2ccccc2)c1 10172831 GJWUTWXFJFBDNJ-UHFFFAOYSA-O 427.496 5.243 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1ccccc1 21755257 QGQQJWQYOJFBAO-HXUWFJFHSA-N 445.592 5.175 30 20 IKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc3c(c2)CCCC3)c1 22729749 NHDLZJDSYPPPIV-UHFFFAOYSA-O 443.636 6.137 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 24050705 LQXIJUQQVGHMBM-UHFFFAOYSA-N 429.549 5.262 30 20 IKED C[C@@H](NC(=O)[C@@](C)(Cc1nc2ccccc2s1)c1ccccc1)c1ccc(C#N)cc1 26128445 IPWYDYNKPGJLPG-DWXRJYCRSA-N 425.557 5.546 30 20 IKED C=CCN(C(=O)c1sc(-c2ccc(OC)cc2)nc1C)c1nc2c(s1)CCCC2 26770215 DBHYGCJQKRRLIP-UHFFFAOYSA-N 425.579 5.295 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 32614769 VUJBFQNCQRAEBW-UHFFFAOYSA-N 434.883 5.004 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)cc1 59253998 SWRXCEIILPYPGS-UHFFFAOYSA-N 427.357 5.221 30 20 IKED CCc1ccc(N(C(C)=O)c2nc(CSc3nc4c(c(C)c3C#N)CCC4)cs2)cc1 60716245 GVWMLDMQLZFLTM-UHFFFAOYSA-N 448.617 5.746 30 20 IKED C=C(C)COc1cc(CNCc2ccc(Cn3cnc4ccccc43)cc2)ccc1OC 60951416 BPYIEYWHMWFAHJ-UHFFFAOYSA-N 427.548 5.338 30 20 IKED COc1ccc(C(=O)/C=C/c2cc(Br)c(OC(F)F)c(OC)c2)c(F)c1 97491968 CHNBKNNQDAGNGD-ZZXKWVIFSA-N 431.204 5.103 30 20 IKED COc1ccc(/C=C/C(=O)c2ccc(N3CCC(O)CC3)cc2)cc1OCc1ccccc1 97552588 UBWKNOFRSRGZMZ-NTUHNPAUSA-N 443.543 5.131 30 20 IKED C=CCN(Cc1ccccc1)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 105942804 JMJCYTYONFMSRC-UHFFFAOYSA-N 447.457 5.045 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 108433538 MZLNXMYAQQNEBG-UHFFFAOYSA-N 443.572 5.464 30 20 IKED COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SCCC(C)(C)C#N)cc1Cl 211957527 SHKDDBLDKBKBBI-SFQUDFHCSA-N 445.997 5.827 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 303653189 KYHGDZCHTTUPHB-MRXNPFEDSA-N 447.947 6.508 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)s1 430632392 XHZWJCYHBPQDPE-ZDUSSCGKSA-N 443.981 5.898 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 432074581 CAAFVJZFGRZQQJ-OUCADQQQSA-N 436.400 5.582 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)c1ccccc1 433142589 UWCYLZBHLPQHIQ-HXUWFJFHSA-N 427.430 5.448 30 20 IKED CC(=O)N(c1nnc(SCCC(C#N)(c2ccccc2)c2ccccc2)s1)C1CC1 434643827 SDWVZBKEGBKESO-UHFFFAOYSA-N 434.590 5.045 30 20 IKED CC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 437889989 PHLKHRNPPUYGNG-DEOSSOPVSA-N 426.520 5.296 30 20 IKED CN(CCc1cccs1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 437955655 OYOPMMSUZFQAPI-UHFFFAOYSA-N 425.941 5.559 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(F)c(Br)cc1Cl 439622159 ZVHJJYOSZAHDTD-UGSOOPFHSA-N 436.712 5.545 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1 440295966 KFWLPBXNFKCNOT-UHFFFAOYSA-N 435.915 5.583 30 20 IKED N#Cc1cc(NC(=O)C(=O)Nc2cccc(CSC3CCCCC3)c2)ccc1Cl 440921146 VQCDILIUUYSXSU-UHFFFAOYSA-N 427.957 5.355 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 441128272 RSRGXNVMBZYHDY-KUHUBIRLSA-N 439.972 5.837 30 20 IKED C=CCCCN(C)C(=O)C(=O)Nc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1C 441975355 AGELLBDVMMIUIN-UHFFFAOYSA-N 436.531 5.095 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(C(F)(F)F)cc1 442102436 XIRHDCJLOIIJLQ-FQEVSTJZSA-N 443.469 5.269 30 20 IKED N#Cc1ccc(NC(=O)c2cccnc2SCc2ccc(F)cc2)cc1C(F)(F)F 443888111 XYTZPRPPWLRNKY-UHFFFAOYSA-N 431.414 5.656 30 20 IKED COC(=O)c1sc(NC(=O)c2cn(CCCC#N)c3ccccc23)nc1C1CCCC1 445164660 VWXQHEOWKIHFBE-UHFFFAOYSA-N 436.537 5.098 30 20 IKED Cc1ccc(NC(=O)N(C[C@@H](C)C#N)C2CC2)cc1Oc1ncccc1Br 448090934 PBRAUSYFBWQDRJ-ZDUSSCGKSA-N 429.318 5.101 30 20 IKED O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1c(F)cc(C(F)(F)F)cc1F 463713990 JOPVHLMKNUESIW-UHFFFAOYSA-N 437.246 5.305 30 20 IKED Cn1cc(Nc2cccc(NC(=O)c3ccccc3Sc3ccccc3C#N)c2)cn1 471106503 IWRYRYHJCVZNEU-UHFFFAOYSA-N 425.517 5.439 30 20 IKED CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)C[C@H](CC#N)c1ccccc1 474589770 NWSYBBYLHMUKEX-KRWDZBQOSA-N 432.351 5.258 30 20 IKED N#CC1(c2ccc(C(=O)N[C@H](Cc3ccccn3)c3ccc(Br)cc3)cc2)CC1 474962903 VQBRMLFSUOQZFO-JOCHJYFZSA-N 446.348 5.113 30 20 IKED CC[C@@H](C)n1ncc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1C1CC1 477323165 PIDQUQQQGQCZEG-OAHLLOKOSA-N 434.927 6.301 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 477584093 ARVREJUNVHIETH-CABCVRRESA-N 432.952 5.131 30 20 IKED C=C(C)[C@H](NCc1ccc(OCc2c(C)noc2C)c(OC)c1)c1ccc(F)c(F)c1 479418476 UNINVEODJJUCDQ-DEOSSOPVSA-N 428.479 5.564 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1nc(-c2cc3ccccc3o2)cs1 480560174 DZLXGKQUDALIJS-OAHLLOKOSA-N 448.573 6.272 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)cc1Cl 482116037 UGIMZIYTHDKKHH-HSZRJFAPSA-N 439.902 5.807 30 20 IKED C=CCN1CCC(N[C@@H]2CCCc3nc(-c4ccccc4Br)sc32)CC1 482630999 RICIAPVVVALTTM-GOSISDBHSA-N 432.431 5.190 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2nc(-c3ccccc3F)co2)cc1C 484660448 WWJFSXGTOAVEED-UHFFFAOYSA-N 429.455 5.127 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(C(F)(F)F)ccc1C#N 488734090 KYQQYVHIPPHUNT-GFCCVEGCSA-N 436.484 5.097 30 20 IKED C=CCn1c(SCc2nc(-c3ccc(OCC)cc3)no2)nnc1-c1cccc(C)c1 495435507 XLXAAJPFBUWDGG-UHFFFAOYSA-N 433.537 5.181 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 498448907 JMHLDOKLSDDSEH-UHFFFAOYSA-N 442.346 5.891 30 20 IKED O=C(Cc1cccc(OCC(F)(F)F)c1)Nc1ccc(F)cc1OCCC(F)(F)F 500247890 ZUCMFKHZSGBBEU-UHFFFAOYSA-N 439.327 5.279 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCCC(F)(F)C3)s2)c(C(F)(F)F)c1 503174710 VOWDFZQMHPZZLS-CYBMUJFWSA-N 429.414 5.388 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3S[C@@H](C)CC#N)s2)c(F)c1 503321457 KPSLVAKOXSTLSI-ZDUSSCGKSA-N 441.553 5.913 30 20 IKED C[C@@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1nc(-c2ccccc2)cs1 504254527 NNVMMDDVLRBKHI-OAHLLOKOSA-N 429.467 5.241 30 20 IKED CC[C@H](C)n1c(SCC(=O)Nc2ccccc2SCC#N)nnc1-c1ccccc1 504288121 GZXPLJOEDWPITR-INIZCTEOSA-N 437.594 5.263 30 20 IKED Cc1nc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)sc1SCC#N 504830098 DMUNNVCGACOLTL-UHFFFAOYSA-N 440.598 5.005 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2oc3ccccc3c2COC(C)C)cc1 508130676 HLRYFGZVXZJFBV-UHFFFAOYSA-N 432.520 5.424 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2Cc2ccccc2)cc1 508271121 ZBAWIXIJXKSULS-QFIPXVFZSA-N 427.504 5.598 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC([C@@H]2CCCO2)CC1 508878831 BTTCBCRDEJHEOM-CYFREDJKSA-N 432.568 5.153 30 20 IKED O=C(Nc1cc(F)c(Br)cc1F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 511115926 PGORUAIPAFGUJM-UHFFFAOYSA-N 441.116 5.076 30 20 IKED CCCCN(C)CC1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 511581485 PYYFMFXLNAKYHM-UHFFFAOYSA-N 448.611 5.307 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 513043831 IILDIFFEWHKZAR-UHFFFAOYSA-N 432.954 5.011 30 20 IKED CCn1c(S[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1cccc(C)c1 514954967 SPLFTKXQGZDYAN-HXUWFJFHSA-N 447.608 5.318 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3COc3ccccc3)n2)cc1 516713684 HHBOHGRFMWXZEL-HSZRJFAPSA-N 440.524 5.888 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 517520931 ZKYMJZJTEWEJQP-ZDUSSCGKSA-N 431.348 5.826 30 20 IKED C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 518332284 OOGWPTUMVMXNJA-HXUWFJFHSA-N 439.606 5.655 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 518740053 FPMQQPJWWKGNEJ-INIZCTEOSA-N 431.492 6.136 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1 520333036 ANUATFVNMBTQCR-UHFFFAOYSA-N 437.927 5.308 30 20 IKED CC1CCC(N2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2)CC1 523782963 MVDOMNJSVONOTF-UHFFFAOYSA-N 446.595 5.060 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 523788560 BMNXKQAPTFNEFF-UHFFFAOYSA-N 425.941 5.874 30 20 IKED N#Cc1ccc(CN2CCN(C(=O)Nc3cccc(CSC4CCCC4)c3)CC2)cc1 524630311 DHSCATXRCDWAKX-UHFFFAOYSA-N 434.609 5.084 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@@](C)(C#N)CCc3ccccc3)c12 532411467 MZWWKXKBMFXNKS-AREMUKBSSA-N 429.568 5.017 30 20 IKED COc1cc2c(cc1F)CN(C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)CC2 540818956 XXYJCENJZUDSPW-NRFANRHFSA-N 449.913 5.733 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(COc2ccccc2)c1 553320246 WMAGSFOGNDMCMM-LJQANCHMSA-N 431.561 5.982 30 20 IKED CC[C@@H](C)Oc1cccc(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 559794366 MEKXMPSHRRZGOI-QGZVFWFLSA-N 429.476 5.105 30 20 IKED N#CCC[C@@H](NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccccc1 560090931 PVOORGBYHQGLDX-FGZHOGPDSA-N 445.485 5.517 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1Cl 568332962 BQWDTANRRUEZBA-AKIFATBCSA-N 435.955 5.561 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc4nccnc4c3Br)c2)cc1 573134043 VHKXXMBPXYQONV-UHFFFAOYSA-N 445.276 5.309 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NC1CC(C(F)(F)F)C1 575829762 IGCFPGGFRKACKS-UHFFFAOYSA-N 437.487 5.096 30 20 IKED N#C[C@@H](C(=O)c1cccc2c1CC(=O)CC2)c1nc(-c2ccc(Cl)cc2Cl)cs1 576952264 ZQRRKXUMIVPJMW-SFHVURJKSA-N 441.339 5.665 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)CCC(=O)c3csc4ccccc34)cc2)ccn1 584262998 BXMBJUCRVACXPC-UHFFFAOYSA-N 427.485 5.562 30 20 IKED C=C(C)COc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2[C@H](C)CC)c1 589382790 JTGBUURRJCMOQH-GOSISDBHSA-N 436.581 5.602 30 20 IKED CCCn1c(SCCC(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1cccc(C)c1 589941542 LTYWBSMVFXHEDZ-UHFFFAOYSA-N 439.972 5.310 30 20 IKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F 590377131 UXKZBYVQIOQISL-SNVBAGLBSA-N 436.327 5.021 30 20 IKED Cc1ccc(SCC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c(C)c1 603449220 BCWNTYMRPOMPSO-UHFFFAOYSA-N 426.592 5.050 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)N(Cc4ccc(C#N)cc4)C(C)C)cc3)o2)c1 603527536 LSMIFRQNXVCFDD-UHFFFAOYSA-N 436.515 5.635 30 20 IKED COc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc(OC)c1OC 603673203 KMYPEJOKPDZERA-LJQANCHMSA-N 436.895 5.274 30 20 IKED CCN(CC)[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccsc1 603689902 SQCQHPOTBUBMSV-NRFANRHFSA-N 435.553 5.012 30 20 IKED COc1ccc(CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@@H](C)C2CC2)cc1 604455189 JJOMDQJVPYCUTE-KRWDZBQOSA-N 446.576 5.447 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(Oc4ccccc4)nc3)cn2)cc1 604540599 HBBJGGKTDLOWOA-UHFFFAOYSA-N 437.459 5.255 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)c1c(Cl)cccc1Cl 604566959 CMYCHORNDJPYQH-AWEZNQCLSA-N 426.303 6.103 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 609402844 CTXPBDSYEOMUPA-UTKZUKDTSA-N 443.016 5.550 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C 609651635 KEPULUNCYBQZGJ-UHFFFAOYSA-N 428.458 5.560 30 20 IKED CCn1cnnc1-c1cccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 609723184 RGKKQZYSPWBONH-UHFFFAOYSA-N 443.894 5.535 30 20 IKED Cc1noc(-c2ccccc2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1 610224514 UQELROIBVCWXLY-OAQYLSRUSA-N 428.879 5.606 30 20 IKED COc1ccc(C#N)cc1CN1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 610953715 QGHFWRBNESYQSL-RUZDIDTESA-N 446.595 5.256 30 20 IKED N#C[C@@H](C(=O)c1ccc(C#Cc2ccccc2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 613289903 RLOLFVXBEJVTSX-NRFANRHFSA-N 449.535 5.166 30 20 IKED CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)cc1 622989372 MRTWXXFWHWYBKF-UHFFFAOYSA-N 431.557 5.052 30 20 IKED O=C(CC1CCC(C(F)(F)F)CC1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 679955176 JWQUVCAWZDZPQV-QQFIATSDSA-N 427.351 5.771 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl 684797853 DLBZBJYVAOIGOM-RSVSFAPFSA-N 446.794 5.544 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 726074649 UKYFFQGBFSMTIR-UHFFFAOYSA-N 446.482 5.500 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OCC)cc2)[n+]2ccc(CC)cc2)c1 726572739 LZSISOYKRLPVNQ-UHFFFAOYSA-O 429.565 5.240 30 20 IKED C[C@H](c1ccc(Cl)cc1Cl)N1C(=O)/C(=C\c2cccc(OCC#N)c2)SC1=S 726626575 DDZYHPVHCOZJQF-SGEFVQMOSA-N 449.384 5.858 30 20 IKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCCCC#N)c1 728780120 NXYNBLNBMQUDMX-QFIPXVFZSA-N 448.592 5.464 30 20 IKED Cc1csc(SCc2ccc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)cc2)n1 731646036 WNDZOENYABXRRY-SFHVURJKSA-N 447.507 5.757 30 20 IKED CCOc1ccc(C(C)=NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc1OCC 733080250 TXLXVRFOOZEGFZ-UHFFFAOYSA-N 445.445 5.191 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)cc1OC 733244075 BCCDVRPHRMRLPA-XGICHPGQSA-N 437.883 5.148 30 20 IKED C[C@@H]1CN(c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)CCO1 736491008 FVBWRSXQDFGVGQ-GOSISDBHSA-N 429.545 5.187 30 20 IKED O=C1/C(=C/c2cc(Br)cs2)COC/C1=C\c1cc(Br)cs1 741448223 SNVMYPPSPWYISA-UVEKSMONSA-N 446.185 5.401 30 20 IKED N#C[C@H]1CN(C(=O)c2cccc(CSc3c(Cl)cccc3Cl)c2)CCN1C1CC1 741562407 IMTRFGQEOYPYNY-SFHVURJKSA-N 446.403 5.098 30 20 IKED Cc1ccc(N2CCOC2=O)cc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 743781498 KPSCXAQBYUCJLH-UHFFFAOYSA-N 447.878 5.521 30 20 IKED C[C@@H](ON=Cc1ccccc1Br)c1nc(-c2cccc(C(F)(F)F)c2)no1 744444610 XSQSFEQMUPSLHI-LLVKDONJSA-N 440.219 5.630 30 20 IKED Cc1ccc(-c2cc(C(=O)OCc3nnc(-c4ccc(C#N)cc4)o3)c3ccccc3n2)cc1 744466876 GHMUHPNHRPZMBR-UHFFFAOYSA-N 446.466 5.489 30 20 IKED C[C@@H](OC(=O)c1ccccc1-c1ccccc1C#N)C(=O)Nc1ccc(N2CCCC2)cc1 744516533 RBFAWWHRQJIJSL-LJQANCHMSA-N 439.515 5.009 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccc(N3CCCCC3)o2)c1 744766721 RDKBAHSEJLAUKT-UHFFFAOYSA-N 439.585 5.043 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(CC3CCCCC3)CC2)cc1 744766749 RWCNYPGVXYUIBZ-SANMLTNESA-N 430.596 5.508 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)c2cccc(F)c2Cl)n(C2CCCCC2)c1C 745655283 DCKGDWPQGCZHPP-UHFFFAOYSA-N 431.895 5.070 30 20 IKED C#Cc1cccc(N(C)C(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)c1 746214626 BBPMDLOPARBIBR-UHFFFAOYSA-N 437.343 5.168 30 20 IKED CC(C)(CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc2c(c1)OCCO2 746763553 XIFADWDNGHLVML-HSZRJFAPSA-N 441.531 5.213 30 20 IKED N#C[C@H](C(=O)Cc1ccc(OCc2ccccn2)cc1)c1nc(-c2ccccc2)cs1 752475659 BIVYKKRFBAUMDR-JOCHJYFZSA-N 425.513 5.203 30 20 IKED COCCOc1ccc(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 758075386 JGSYGDQTNRGHTF-HSZRJFAPSA-N 434.923 5.202 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(-c2noc(CSCc3ccc(C#N)cc3)n2)cc1 762308146 YYEIMHWXOYTOLT-UHFFFAOYSA-N 436.537 5.066 30 20 IKED CCCc1cc[n+](/C(C(=S)Nc2cc(C)ccc2C)=C(/O)c2ccc(C#N)cc2)cc1 762444777 GOLBWCVVBMKEHI-UHFFFAOYSA-O 428.581 5.738 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@@H]2c2ccc(F)c(F)c2)c1=S 764995147 KKXRVTCWTQKAGK-HXUWFJFHSA-N 427.524 5.125 30 20 IKED C=CCn1c(SCc2nnc(-c3cccc(F)c3)o2)nnc1-c1cccc(Cl)c1 765333770 OUNAQVHDADJEJG-UHFFFAOYSA-N 427.892 5.266 30 20 IKED C[C@H](C#N)Oc1ccc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1 768802637 UENHDMFVFIJQJW-QVKFZJNVSA-N 432.351 5.277 30 20 IKED Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1 772646156 RRALJYBCWKGHGH-INIZCTEOSA-N 446.816 5.019 30 20 IKED COc1ccc2nc(NN=Cc3csc(N(C(C)=O)c4ccccc4)n3)c(C)cc2c1 777912949 FHXLIRBKXDFUSR-UHFFFAOYSA-N 431.521 5.139 30 20 IKED O=C1/C(=C/c2scnc2C2CC2)CC2(CCOCC2)C/C1=C\c1scnc1C1CC1 782340694 DHSMYLXHRJXSBM-BEQMOXJMSA-N 438.618 5.981 30 20 IKED CC(C)(C#N)CCCOC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 782373844 UAAMXGMJZGMKOS-UHFFFAOYSA-N 442.441 5.440 30 20 IKED COc1ccc(-c2nc(/C=C/C(=O)c3ccc(OC)c(Br)c3)cs2)cc1 797157096 NXCIMFNWYBWPAP-RMKNXTFCSA-N 430.323 5.486 30 20 IKED N#Cc1cc(NCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1OC(F)(F)F 799594022 HVDBIBYPDQLOMK-UHFFFAOYSA-N 437.727 5.180 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@H](C)c2ccc(Oc3cccnc3)cc2)cc1 806623403 NMSVRXFMRNTZRZ-RTWAWAEBSA-N 428.536 5.168 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)s1 810460559 SGKAQLCDGSPKJY-MSOLQXFVSA-N 425.554 5.031 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3cc(-c4cccnc4)nc4ccccc34)cc2)ccn1 811612593 DNVDVOYTZYICAR-UHFFFAOYSA-N 443.466 5.608 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 881449158 KEHVQXDCAYLAEB-MHZLTWQESA-N 444.490 5.188 30 20 IKED O=C(Nc1cccc(N=Cc2cc(Br)cc(Br)c2O)c1)C1CC1 912962655 XMFDHWQNBBIHSE-UHFFFAOYSA-N 438.119 5.016 30 20 IKED Cc1ccc(C(=O)N[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)C(C)C)cc1 915102384 XZMJFWIZVPYKQT-IRLDBZIGSA-N 431.561 5.058 30 20 IKED CC(=NNc1ncnc2cc(-c3ccc(Br)cc3)sc12)c1scnc1C 915111233 CRCMNLBCSPNADW-UHFFFAOYSA-N 444.383 5.722 30 20 IKED CC(C)(C)C[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 915774516 AZBLRHCWUHRSQV-JWQCQUIFSA-N 439.559 5.574 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(OC(C)C)cc1 915943425 DAISVSMHGJGJGK-UHFFFAOYSA-N 437.952 5.756 30 20 IKED CC(=NNc1ncccc1C(F)(F)F)c1cccc(OCc2cn3ccccc3n2)c1 915960595 KTIFYXCWTOAJFH-UHFFFAOYSA-N 425.414 5.163 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc2c(c1)-c1ccccc1C2 916906523 CWSMBTSEKPVXLB-RUZDIDTESA-N 444.490 6.011 30 20 IKED COc1cc(/C=C2\SC(=S)N(c3ccc4ccccc4c3)C2=O)ccc1OCC#N 917644007 QJQXOBVVSULPGQ-BKUYFWCQSA-N 432.526 5.157 30 20 IKED CCc1cccc2c(C3CCN(CC4=CC(=O)n5c(nc6ccccc65)[C@H]4C#N)CC3)c[nH]c12 917832736 FOYCXIHARAODFL-QFIPXVFZSA-N 449.558 5.147 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CNc4ccccc43)CCC2)cc1 1785842136 PLEQJWDMLLBZNX-JOCHJYFZSA-N 431.580 5.322 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@H](CC)CC3)CCC2)cc1 1786369898 BBPSBHUYIZGRBF-MEMLXQNLSA-N 426.601 5.320 30 20 IKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)c(C)o1 1787346019 LRBAUBBSCMURQL-UHFFFAOYSA-N 447.922 5.483 30 20 IKED Cc1cccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c1 1787760116 WNTBJXITEAKKME-UHFFFAOYSA-N 437.543 5.052 30 20 IKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)cc3C(F)(F)F)CCC2)cc1 1787890463 LRVNPDPRDIUTCO-UHFFFAOYSA-N 449.860 5.410 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CS[C@H]3CCCCO3)cc2)CCC1 1789549327 CBUZEMOZJXXHDI-QFIPXVFZSA-N 444.641 5.373 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cnc(C)s3)cc2)CCC1 1791959113 HLIBAGCAZGKHGE-VAWYXSNFSA-N 437.609 5.591 30 20 IKED CC(C)Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@H](C)C#N)c2)cc1 1803684055 GKMCLMSOSCRNAG-NEBIIKFJSA-N 443.591 5.078 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)/C(C)=C/c3cccs3)CC2)C1 1805451535 KFKHCBYUOBYARC-CZIZESTLSA-N 426.626 5.151 30 20 IKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ccccc23)CC1 1824537333 GAGJHJSANZQPSP-RPWUZVMVSA-N 438.637 5.028 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3sccc3[nH]2)CC1 1828707651 VXQJVWRRDXAHBP-NRFANRHFSA-N 441.641 5.455 30 20 IKED C=CCSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 1848063468 XHGYCJNAXBVDGX-VXKWHMMOSA-N 442.669 5.016 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)nc2ccccc21 10237916 WLBACFOTGRCUNP-UHFFFAOYSA-N 425.863 5.625 30 20 IKED Cc1ccc(N/C(S)=C(\C(=O)c2cc(C)n(C)c2C)[n+]2ccc3c(c2)CCCC3)cc1C 11162006 MKMOGZGWFSKKOR-UHFFFAOYSA-O 446.640 5.476 30 20 IKED C=CCNc1nnc(SCc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)s1 11393266 ICAWKUNNSNGYSZ-UHFFFAOYSA-N 431.612 5.186 30 20 IKED COc1ccc(NC(=O)[C@H](OC(=O)CCc2ccc(C#N)cc2)c2ccccc2)cc1Cl 12954389 VPFFLGLPZGXXTQ-XMMPIXPASA-N 448.906 5.076 30 20 IKED N#CCc1ccc(NC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)cc1 59274808 WXVFAKALSGPXKP-UHFFFAOYSA-N 434.293 5.020 30 20 IKED C=CCN(Cc1cccs1)C(=O)c1ccc(C(=O)N(CC=C)Cc2cccs2)cc1 60677827 KIUASOOGYPKIOF-UHFFFAOYSA-N 436.602 5.466 30 20 IKED CCOc1ccc(-n2c(S[C@H](C#N)Cc3ccc(C)cc3)nnc2-c2cccnc2)cc1 60698867 KTDDCNVCXUJGNJ-QHCPKHFHSA-N 441.560 5.263 30 20 IKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3sc4c(c3C#N)CCCC4)c12 248044410 UVTWOMUGFNMNTL-UHFFFAOYSA-N 432.480 5.402 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1ccccc1N1CCc2ccccc21)c1ccccc1 303180469 KQZWVABWVIQLAX-UHFFFAOYSA-N 438.531 5.046 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 303244595 AEUDUYGIZWOKIQ-CYBMUJFWSA-N 431.348 5.683 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NC3C[C@@H]4CC[C@H](C3)N4Cc3ccccc3)c2)cc1 303411911 AKZHTYPMIOXMGP-QILAJZQNSA-N 437.543 5.276 30 20 IKED CCOc1ccc(-c2csc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)n2)cc1 428215677 AGPGUSBDLNZOTE-UHFFFAOYSA-N 443.532 5.238 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C[C@@H](C)c2ccc(Br)cc2)c1C 432667052 TVEGSFQUEZGIBZ-CQSZACIVSA-N 437.341 5.256 30 20 IKED Cc1cc(Br)ccc1CN(C)C(=O)Nc1ccccc1S[C@@H](C)CC#N 434149734 FLYIIXDBECSBOS-HNNXBMFYSA-N 432.387 5.816 30 20 IKED N#CCC[C@H](NC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1ccccc1 439382055 FTLMNZSJCHXCLW-DLLPINGYSA-N 431.561 5.302 30 20 IKED CCN(Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 443567473 CASNIDNNLGKRBU-UHFFFAOYSA-N 438.531 5.867 30 20 IKED C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1C[C@H]2CC[C@H]1c1ccccc12 460781000 XVAXWMGUSPVUJS-NQIIRXRSSA-N 432.593 5.594 30 20 IKED CCc1cccc2c(C3CCN(C(=O)Nc4ncccc4OCCCC#N)CC3)c[nH]c12 466628123 PCNPYJQUKAPYLG-UHFFFAOYSA-N 431.540 5.219 30 20 IKED COc1ccc(C2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)cc1 467609568 ZTTXORDLXWUVNE-UHFFFAOYSA-N 427.504 5.771 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N(CCC(F)(F)F)CC(F)(F)F)c2)cc1 468515123 JHWCYDDXWIOBJC-UHFFFAOYSA-N 430.348 5.094 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 471276175 DOZZTYLHEGEGKN-XAYKYTGQSA-N 448.361 5.660 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3nnc(-c4ccc(Cl)cc4F)s3)CC2)cc1 471313132 UGXSVXPUGDTUNV-UHFFFAOYSA-N 439.903 5.190 30 20 IKED CCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 474900179 OWTZHISURBMATF-UHFFFAOYSA-N 449.816 5.622 30 20 IKED COc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 477393280 NIPYCAFEIUDMHH-JOCHJYFZSA-N 427.504 5.598 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Cl)cc2Br)c1 478929661 JWWDNFBQHNXDHT-UHFFFAOYSA-N 431.673 5.398 30 20 IKED Cc1nnc(-c2ccccc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)o1 480674858 KVFXVCUWTORXJU-UHFFFAOYSA-N 430.851 5.615 30 20 IKED C[C@H]1CN(Cc2ccccc2NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H](C)O1 482836074 CGARPIVHSAGZEZ-BGYRXZFFSA-N 441.531 5.212 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ccc(Br)s2)s1)c1cnc2ccccc2n1 483199534 OVNXZSFRKOOGIU-LLVKDONJSA-N 440.347 5.672 30 20 IKED O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)Nc1cccc(COCC(F)(F)C(F)F)c1 483456211 OZXUWBGKZQSFRR-DZGCQCFKSA-N 444.391 5.594 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)c2cccc(OC(F)(F)F)c2)cc1C 485501652 GXIKHOMIGJDBNU-UHFFFAOYSA-N 442.441 5.256 30 20 IKED O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CCCOCC1 486159786 QVYAAYDOHNRMDJ-ZANVPECISA-N 437.302 5.261 30 20 IKED C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc2ncsc2c1 487022691 QKRCUHHDGZDGKO-KRWDZBQOSA-N 444.535 5.780 30 20 IKED CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)N[C@@H](CCCC#N)c2ccccc2)c1 487512220 HBKMTPPBAOSTGU-NRFANRHFSA-N 425.960 5.167 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(C(C)C)c3-c3ccccc3)n2)cc1 488059945 UQKHOBONBQXOBZ-HXUWFJFHSA-N 442.544 5.753 30 20 IKED CC(C)[C@@H](Sc1nc(C(F)(F)F)ccc1C#N)C(=O)Nc1ccccc1C(F)(F)F 488751862 JOITYPLNTANEFY-OAHLLOKOSA-N 447.404 5.746 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1C 491515169 QEXDDFIOLFUUBI-UHFFFAOYSA-N 429.520 5.427 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NCCCC1(C#N)CCOCC1 499627642 SRCIFAQYRSLJDY-HNNXBMFYSA-N 448.430 5.632 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(Sc2ccc(Cl)cc2)cc1)c1ccc(C#N)cc1 502959673 CJXAILBIUONLOK-HNNXBMFYSA-N 435.936 5.179 30 20 IKED Cc1cc(C)c(NC(=O)CN(C)Cc2cccc(OCc3ccccc3C#N)c2)c(C)c1 507458605 GHRIOFPSAWOSTJ-UHFFFAOYSA-N 427.548 5.133 30 20 IKED CO[C@H](CSCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1 509132680 SAEDURXZRUTIBU-DNVCBOLYSA-N 435.014 5.651 30 20 IKED CCN(C(=O)c1cccc(C#N)c1C)[C@H](c1ccc(Br)cc1)c1cccnc1 509452082 KNAXOIUMORWDGP-JOCHJYFZSA-N 434.337 5.276 30 20 IKED N#CCSc1ccccc1NC(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1 509562971 BVYOCPLBXRZNBZ-HSZRJFAPSA-N 439.005 6.417 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)c2cccs2)cc1 511318374 DIUPPUZDKXQSDJ-HXUWFJFHSA-N 425.941 5.228 30 20 IKED N#C[C@@H](C(=O)c1csc(Br)c1)c1nc(-c2c(F)cccc2F)cs1 513249587 QIFYIFPJNNAAMN-VIFPVBQESA-N 425.279 5.402 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 513934353 SYNLNKXLFLRWPI-UHFFFAOYSA-N 442.494 5.280 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSc1cc(Cl)ccc1Cl 515156973 BVGJPVIANDWAFK-UHFFFAOYSA-N 444.343 6.092 30 20 IKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)c1 518744413 RECMXQHMHKWFOK-OALUTQOASA-N 436.581 5.272 30 20 IKED C=CCOc1ccc(C(=O)N[C@H](C)c2sc(-c3ccc(F)cc3)nc2C)cc1OC 519133173 OFXDWBKTFDYMTQ-CQSZACIVSA-N 426.513 5.322 30 20 IKED C=CCN(C(=O)c1cnc(-c2ccccc2)nc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 519380775 GLNFVMOIOZZQDU-UHFFFAOYSA-N 443.488 5.008 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1csc(-c2ccccc2)n1 519433699 ANMXKLKWYKYMHD-UHFFFAOYSA-N 433.480 6.087 30 20 IKED N#CCCCn1cc(-c2nc(-c3ccc(OC4CCOCC4)cc3)no2)c2ccccc21 519786458 UTRGWJUFEJIMGI-UHFFFAOYSA-N 428.492 5.220 30 20 IKED CC[C@H](c1ccccc1)N(CC)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 519913022 AVPVVOIXZLHHDD-AREMUKBSSA-N 427.548 6.337 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCN(CCCc2ccccc2)CC1 521259061 HQXFPLIQIHQNDA-OAQYLSRUSA-N 436.625 5.111 30 20 IKED CCOCCOc1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 522121616 LWTMODYFFNPVKN-QFIPXVFZSA-N 434.923 5.663 30 20 IKED COC[C@H](C)n1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1 525841169 YZVKHSMSEITNHK-AWEZNQCLSA-N 425.876 5.052 30 20 IKED CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1 534176526 SOFYNCQPSZBOTN-UHFFFAOYSA-N 440.286 5.868 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ncc(-c2ccccc2C)o1 536021244 DHCVNALQVUGRIO-UHFFFAOYSA-N 432.549 5.607 30 20 IKED Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 536767945 MJIFQYYVEJZCAO-AWEZNQCLSA-N 438.331 5.308 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1 537848625 LSGWFVQBHAZYGQ-KRWDZBQOSA-N 435.549 5.173 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Br)cc1Cl)c1nc2ccccc2n1C(F)F 539199215 CRBTTZSGFDYCJL-JTQLQIEISA-N 439.647 5.093 30 20 IKED CN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 542181220 ZKTAYLGEHZDTGF-KRWDZBQOSA-N 426.360 5.636 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N3CCCC[C@@H]3c3cc4ccccc4[nH]3)n2)c(Cl)c1 542957471 OXCVPECBWBLMJQ-JOCHJYFZSA-N 444.926 5.638 30 20 IKED C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 543565251 YEWGAWIFVUKXDA-BSDZUQITSA-N 430.939 6.005 30 20 IKED C[C@H]1N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCC12CCOCC2 544584977 JRXNSYNXMQQRTG-QGZVFWFLSA-N 439.943 5.214 30 20 IKED N#Cc1ccccc1OCc1ccc(-c2nc(-c3cnc(Oc4ccccc4)cn3)no2)o1 545105478 TUICMMKSKQKTAB-UHFFFAOYSA-N 437.415 5.030 30 20 IKED C=C(C)Cn1c(SCC(=O)N2C[C@H](C)CC[C@H]2c2ccccc2)nnc1-c1ccco1 553176093 QYUQTWLBSJOFBT-QUCCMNQESA-N 436.581 5.206 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C1(Cc2ccccc2Br)CC1 556944626 BMYNLWCOBPFORT-UHFFFAOYSA-N 430.390 5.154 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 558353912 SSKUBDVASAPXPW-UHFFFAOYSA-N 430.426 5.466 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1ccc(C(F)(F)F)cn1 560158984 FGKCDFYYYVKILH-UHFFFAOYSA-N 430.270 5.410 30 20 IKED CN(CCOCc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 581572225 SOKSIOKBYHTXPL-UHFFFAOYSA-N 444.466 5.042 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N(CCc3ccccc3)Cc3cccnc3)cc2)ccn1 582210779 IJMPVHKBDPALJD-UHFFFAOYSA-N 449.514 5.417 30 20 IKED Cc1cc(C)n(Cc2cccc(-c3noc(-c4cnn(CCC#N)c4-c4ccccc4)n3)c2)n1 582213448 IMAULYLMYFQEFA-UHFFFAOYSA-N 449.518 5.042 30 20 IKED COC(=O)c1cccc(CNc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)n1 582764890 MRPYJSXXLSZKQP-UHFFFAOYSA-N 427.382 5.163 30 20 IKED COCC[C@@](C)(C#N)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)cc1)CC2 589038880 FYJFRKGUDAIQTR-GOACCAMTSA-N 445.950 5.424 30 20 IKED CC[C@@H](C)c1ccc(-n2c(=O)c3ccccc3n3c(SCCCCC#N)nnc23)cc1 594669433 QHJYVYLNIGKOJS-QGZVFWFLSA-N 431.565 5.333 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(OCc2ccccc2)cc1 603739797 DSRDHRXDZIWIPN-UHFFFAOYSA-N 435.483 5.885 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1Cl 603766723 VEFUGHBKIKQVQG-XMSQKQJNSA-N 435.955 5.115 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(CSc2nc3c(c(C)c2C#N)CCC3)cs1 603947375 APULCAXQDSCFII-UHFFFAOYSA-N 434.590 5.492 30 20 IKED Cc1nc2ccnn2c(C)c1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 603948728 ACTPAGAXVRUBJL-INIZCTEOSA-N 435.597 5.002 30 20 IKED CCOc1ccc(-n2c(Cc3ccccc3)nnc2S[C@H](C#N)Cc2ccccc2)cc1 603980725 DZMDKMWBQRCXCW-DEOSSOPVSA-N 440.572 5.484 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCOc3ccc(F)c(Cl)c3)c2)c1 603996015 ZOJDVXZIQGDBEJ-UHFFFAOYSA-N 437.858 5.011 30 20 IKED CC[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604143053 HVIJFTQPFNEXBH-OXJNMPFZSA-N 425.916 5.027 30 20 IKED COc1ccc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c(C(F)(F)F)c1 608841754 VKBQAQXADFXVQB-UHFFFAOYSA-N 442.397 5.095 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2nccn2CC(F)(F)F)cc1Cl 609047082 SEVZKCBSMXERRN-QGZVFWFLSA-N 447.848 5.076 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3coc(-c4ccc(Cl)cc4)n3)cn2)cc1 609164057 GAXWUOKRGUNUBA-UHFFFAOYSA-N 430.851 5.235 30 20 IKED Cc1c(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)oc2ccc(Br)cc12 609462456 MBFVGKQSQBGSJE-OAHLLOKOSA-N 437.215 5.517 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)cc2F)c1 609857685 UCZXSGIGVCVGBQ-UHFFFAOYSA-N 425.803 5.090 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(-c2ccncc2)cc1 610094711 WGZBFTBOUMTGHL-UHFFFAOYSA-N 434.499 6.043 30 20 IKED COc1ccc2c(c1)c(C(=O)Nc1cccc(OCCCC#N)c1)c(C)n2C1CCCC1 610196259 OBIFENIWEDYWPY-UHFFFAOYSA-N 431.536 6.008 30 20 IKED Cc1ccc(Sc2ccc(NC(=O)C(=O)N[C@@H](C)c3cccc(C#N)c3)cc2)c(C)c1 610386145 UWKATWRJZCBOGO-SFHVURJKSA-N 429.545 5.142 30 20 IKED Cc1nc(-c2ccccc2)c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)s1 613319551 GRMBDDLJDBOTDU-QGZVFWFLSA-N 435.961 6.386 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccnc(Oc4ccc(F)cc4F)c3)s2)cc1 619108847 POFOKFIAOQXEGR-UHFFFAOYSA-N 448.454 5.323 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)s2)cc1 642282422 QBKWEFZNDSBJPU-HNNXBMFYSA-N 438.459 5.362 30 20 IKED O=C(c1ccc(Cl)c(C(F)(F)F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 676575395 QDNQZVKPVJVLBL-RKDXNWHRSA-N 427.694 5.562 30 20 IKED O=C(Cc1cccc(OC(F)(F)F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 676633909 JLOGQCDKAVTXOR-GHMZBOCLSA-N 437.302 5.153 30 20 IKED Cc1cc(-c2cc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)c3c(C)noc3n2)c(C)s1 677974269 HGYSNHBGDIQERD-LJQANCHMSA-N 438.512 5.915 30 20 IKED COc1ccc(C(=O)/C=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1NC(C)=O 726428076 DUONBIDMWKGMDU-WDZFZDKYSA-N 449.478 5.276 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)ccc1OCc1ccccc1 730417754 QQBRKRMQDGLCDF-GOSISDBHSA-N 432.476 5.513 30 20 IKED CCCCCCn1nc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c2ccccc2c1=O 730421810 QERCMNORJMXANM-SFHVURJKSA-N 448.523 5.216 30 20 IKED COc1ccc(CNC(=S)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 730954765 KEYLWCIZYNDHQB-UHFFFAOYSA-N 425.501 5.206 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)C1(c2ccc(F)cc2)CCCC1 731064389 WNAOCGAHYNIOOJ-QGZVFWFLSA-N 440.540 5.071 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccnc(Oc2ccccc2)c1 731078897 SPIAUXJBOKQFMS-QGZVFWFLSA-N 447.516 5.064 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OC 733615839 ZIBSCVIHYXAQKE-HXUWFJFHSA-N 431.492 5.490 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2ccc(C)cc2)c2ccc(OC)cc2)c1 733807481 VFSUTQBAFRRAMZ-ZEQKJWHPSA-N 443.547 5.273 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)c1 733807986 XXIOVVSFCBTKTL-UTKZUKDTSA-N 431.458 5.433 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1 734078887 CXEACWJHNIEKFS-KRWDZBQOSA-N 426.259 5.142 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cccc(COc2ccc(C)nc2)c1 734079194 NFEKRVXMCYTNTE-DEOSSOPVSA-N 441.531 5.055 30 20 IKED Cc1ccc(-c2ncc(C=Nn3cnc4sc(C)c(-c5ccccc5)c4c3=O)s2)cc1 734295542 YZYRUQUBUSHDIQ-UHFFFAOYSA-N 442.569 5.748 30 20 IKED CC(C)(C)c1ccc(N=C2NC(=O)[C@@H](CC(=O)Nc3cccc(C(F)(F)F)c3)S2)cc1 736641609 MKJDXXZQTVAHJC-QGZVFWFLSA-N 449.498 5.251 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N3CCC([C@@H](O)c4ccc(F)cc4)CC3)c2)cc1 737857067 JOPXKYHOWSDFON-VWLOTQADSA-N 429.495 5.027 30 20 IKED Cc1nc(CSc2ccccc2C(=O)NC2CCN(c3ccccc3C#N)CC2)cs1 742192481 XFNLWYUILAVJHK-UHFFFAOYSA-N 448.617 5.014 30 20 IKED CN1CCC[C@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)[C@H]1c1cccs1 743092700 AZHRQRKJADPUTQ-VTZPFEBOSA-N 444.604 5.608 30 20 IKED CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 743093365 SLHMMSLXSSNVHF-HOFKKMOUSA-N 438.575 5.328 30 20 IKED N#CCOc1ccc(CNC(=O)N[C@H](c2cc(F)ccc2F)c2ccccc2Cl)cc1 743583323 QSSCUFOXMKGSDG-QFIPXVFZSA-N 441.865 5.109 30 20 IKED C[C@H](OC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)C(=O)Nc1cccc(C#N)c1 744604833 LHYBCFWJGFHCMW-NSHDSACASA-N 446.315 5.173 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccccc3SC(F)(F)F)CC2)c1 749332722 NHLOEOUCOJKBEV-UHFFFAOYSA-N 448.470 5.053 30 20 IKED COc1cccc([C@H](C#N)NC(=O)c2cc(Cl)ccc2SC2CCCC2)c1OC 754408068 BNPKEDBSJVFDET-SFHVURJKSA-N 430.957 5.387 30 20 IKED Cc1ccc(-c2nnc([C@@H](C)ON=Cc3c(C)nn(Cc4ccccc4)c3C)o2)cc1C 758411912 BDFNWANAQCAUFP-HXUWFJFHSA-N 429.524 5.327 30 20 IKED N#C[C@H](C(=O)CCc1cc(Br)ccc1F)C(=O)Nc1cccc2ccccc12 759214313 SVYRNSJAUWBKRA-GOSISDBHSA-N 439.284 5.022 30 20 IKED Cc1cc(Br)ccc1CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 763005268 RXCHJHBZOHSQKY-SFHVURJKSA-N 436.334 5.172 30 20 IKED Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1 772646159 RRALJYBCWKGHGH-MRXNPFEDSA-N 446.816 5.019 30 20 IKED N#Cc1cc(N[C@@H]2CCCc3cc(SC(F)F)ccc32)ccc1N1CCC(O)CC1 777118499 VYRLEWQYEHUHLE-OAQYLSRUSA-N 429.536 5.324 30 20 IKED COc1ccc2ccccc2c1-c1cc(CNCc2ccc(N(C)CCC#N)cc2)on1 778121996 CNRUNRBWRLVVLO-UHFFFAOYSA-N 426.520 5.143 30 20 IKED C[C@H](C#N)Oc1ccccc1NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 779742027 IUQUJNIVBUYLLK-IERDGZPVSA-N 448.910 5.014 30 20 IKED CC(C)(C)OC(=O)NCCCCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 781762761 GNSXTNLVKQWMRJ-INIZCTEOSA-N 433.961 5.335 30 20 IKED N#Cc1ccc(CNC(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)c(F)c2)nc1 782034001 CPBGUQPXANFXSF-UHFFFAOYSA-N 430.361 5.225 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)OC[C@H](C#N)Cc1ccc(F)cc1 782591046 WIRZCTOTSXQORH-HNNXBMFYSA-N 432.373 5.347 30 20 IKED C[C@H](NC(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1)c1ccc(-c2cccc(C#N)c2)cc1 782753860 OEKPIQDMXNZMCQ-NTUVXCKYSA-N 445.588 5.645 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 782772680 IRGWZHLEROAXCQ-ZACQAIPSSA-N 432.590 5.038 30 20 IKED COc1cccc(C(=O)/C(=C/c2ccc(OC(F)F)c(Br)c2)c2ncc[nH]2)c1 787169139 MRMUUFPOAFDQNW-DHDCSXOGSA-N 449.251 5.206 30 20 IKED C=CCN(C(=O)c1cccc(CNC(=O)OC(C)(C)C)c1)c1nc(-c2ccccc2)cs1 787885220 PLDNQKFFMNWFPK-UHFFFAOYSA-N 449.576 5.668 30 20 IKED COC(=O)Nc1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1C 798056172 JVQUWRAQLHXAKR-UHFFFAOYSA-N 435.867 5.743 30 20 IKED COc1ccc(-c2cc3[nH]c(/C(Cl)=C/c4ccc(C#N)c(OC)c4)nc(=O)c3s2)cc1 799496191 ZXUILKWNGNJPEE-MFOYZWKCSA-N 449.919 5.277 30 20 IKED N#C[C@H](C(=O)CN1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1)c1nc2ccccc2s1 801589505 QEUVVLPVPGIQOX-IIBYNOLFSA-N 447.457 5.062 30 20 IKED N#Cc1sc(Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)nc1Cl 804322604 KIVCZPJXJWKOOD-UHFFFAOYSA-N 425.809 5.142 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccco2)Cc2cccs2)cc1 915351451 CFPCAINTXXVVQV-DEOSSOPVSA-N 427.529 6.231 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNC(=S)Nc2ccccc2C)cs1 915921432 VHLNASIMVIKMQF-UHFFFAOYSA-N 437.594 5.073 30 20 IKED CN(C)c1ccc([C@@H](CNC(=S)Nc2ccccc2C#N)c2c[nH]c3ccccc23)cc1 915995179 IZWDSMJFEDTRKR-JOCHJYFZSA-N 439.588 5.224 30 20 IKED Sc1nnc(SCc2ccccc2)n1N=Cc1cccc(OCc2ccccc2)c1 916368659 MKBBRYMSXYTEFU-UHFFFAOYSA-N 432.574 5.320 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccc(C)cc3)n2)cc1 916950497 UHLIXTDGEOGJJK-HTAPYJJXSA-N 431.561 5.522 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)cc1 916955415 QRJIZWPGXLMASY-UWJYYQICSA-N 445.567 5.610 30 20 IKED C[C@@H](OCc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997707 XTPPMIKQIGMDGS-DYVFJYSZSA-N 431.344 5.898 30 20 IKED COc1ccc(/C=C\C(=O)c2cccc(NC(C)=O)c2)cc1OCc1ccc([N+](=O)[O-])cc1 917032368 SYGNTXLVMUXXKA-WQLSENKSSA-N 446.459 5.037 30 20 IKED N#C[C@@H](C(=O)COc1ccc(C(F)(F)F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 917042600 DBLGTKSMEPGBCF-ZDUSSCGKSA-N 444.356 5.589 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccccc2OC(F)F)cs1 917561311 AMGPTBXWBFDKON-DHZHZOJOSA-N 448.878 5.979 30 20 IKED N#Cc1c(NC(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)sc2c1CCCCCC2 917782885 GZGZZVYWIKMWFC-SEYXRHQNSA-N 447.604 5.169 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)n1 920326858 FNBNDQXQIWJVLK-HXUWFJFHSA-N 435.549 5.341 30 20 IKED CCN(CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(OCC#N)c1 921114577 VSHMSSLGOFRZCM-UHFFFAOYSA-N 449.382 5.272 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cccc(NC(=O)c2cccs2)c1 921195243 JKVQXGIMMCBYOU-UHFFFAOYSA-N 426.881 5.143 30 20 IKED Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C\c3ccc(O)c(Cl)c3)cc2)cc1 921259442 SEUGNRGKEGVDSR-QCDXTXTGSA-N 427.909 5.051 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc(Cl)c3)CCC2)cc1 1786368603 KAOWBNHOFQBCCU-UHFFFAOYSA-N 444.934 5.210 30 20 IKED Cc1ccc(S/C=C/C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CC4)CCC3)cc2)cc1 1789489642 BQELAUUPBWLOLA-LFIBNONCSA-N 431.561 5.039 30 20 IKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CC[C@H](C)CC4)CCC3)cc2)c1 1790076933 VESOWBWUQVKUQF-KESTWPANSA-N 445.563 5.141 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CC34CCCN3CCC4)cc2)CCC1 1790459493 YVJIFNXZYHOZDZ-UHFFFAOYSA-N 437.628 5.131 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2ccc(C)cc2)[C@H]1c1cccnc1 1802501395 MZGFMVMGCGITKH-RSXGOPAZSA-N 447.623 5.021 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc4sccc4s3)CC2)C1 1805456819 INXHJLHOHDKKSO-UHFFFAOYSA-N 442.650 5.576 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cc3cccc4ncccc34)C2)CC1 1805976018 HFJDASRUMTUOJG-UHFFFAOYSA-N 447.623 5.001 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C2(C)CCCCC2)[C@@H]1c1cccnc1 1810501909 FBVAIBCHZRCLAE-FGZHOGPDSA-N 425.617 5.050 30 20 IKED CC(C)[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)CC1 1820486085 AWYHEVPJYOKXGA-TXTKFYIRSA-N 447.583 5.050 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2coc(C(C)C)n2)CC1 1829066272 ZJQQTEUYMBOGTD-NRFANRHFSA-N 429.605 5.024 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3sccc3c2O)CC1 1831376489 OORODECIDDPFSR-UTKZUKDTSA-N 440.609 5.052 30 20 IKED Cc1cccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 10167484 JJKFKXRROGMMTK-UHFFFAOYSA-O 445.652 6.754 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(C(C)(C)C)cc2)cc1 10173237 PZFVAPHSBDOFHE-UHFFFAOYSA-O 431.625 6.248 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)nnc1-c1cccnc1 10196383 DFEYLKNWBLIPJE-HSZRJFAPSA-N 449.624 5.255 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)(C)C)cc1)=C(/S)Nc1c(C)cccc1C 11153367 QFTLGYJYVXQMBC-UHFFFAOYSA-O 445.652 6.502 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(NCc2ccccc2)s1 20039421 IFWWNKQPMNJKNA-UHFFFAOYSA-N 428.608 5.159 30 20 IKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nncn3C(C)C)c2C#N)C1 22302286 UIMHLDVUOIRRSN-AWEZNQCLSA-N 431.631 5.064 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)nnc1-c1ccc(F)cc1 24014973 YFQDQSUQIAFGCJ-IRXDYDNUSA-N 436.556 5.119 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1nc2cc3c(cc2s1)OCCCO3 60926421 LUCLOMWSMDGDKH-UHFFFAOYSA-N 427.485 5.249 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1cnc(-c2ccccc2)s1 107778110 MFSMACXXVJSXAK-UHFFFAOYSA-N 429.295 5.062 30 20 IKED Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)CSc1nc(C)c(C)c(C)c1C#N 116770404 NOOWKUXWPIAUAF-JOCHJYFZSA-N 445.592 5.040 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)ccc1OCc1ccc(Cl)cc1 301761860 MJDRHINOEAJQRE-LJQANCHMSA-N 445.906 5.304 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 303396840 ZCUQAVOEDSIAGL-QFBILLFUSA-N 434.521 5.057 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccccc2OC2CCC2)cc1 303726105 SWFPVTUAWKNQRV-UHFFFAOYSA-N 441.531 5.585 30 20 IKED Cc1nc([C@H]2CCCOC2)sc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 429703235 ZOLQYPMLIUOACW-QWHCGFSZSA-N 445.516 5.237 30 20 IKED C=CCOc1c(Br)cc(CNc2cccc3c2OCC[C@@H]3N(C)C)cc1OC 433175098 MZDUHYKJHHCTGD-IBGZPJMESA-N 447.373 5.020 30 20 IKED C[C@@H](NC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 435796726 BHZFMBLSRDZIOH-SJKOYZFVSA-N 429.364 5.631 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc(-c2ccccc2)cs1 435895904 DCBARSJPBIQXIM-INIZCTEOSA-N 439.631 6.076 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)cc1C 437469623 RZPXCTLGUOCYKE-XYWHTSSQSA-N 434.490 5.035 30 20 IKED CO[C@H](C)c1nc(CN2CCCN(Cc3ccc(-c4ccccc4C#N)cc3)CC2)cs1 437506245 HENWTEJGJUPKMB-HXUWFJFHSA-N 446.620 5.097 30 20 IKED C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1 437932661 MDSOUSRTKKOASV-RDMBEQIISA-N 444.579 5.108 30 20 IKED C=CCN(C(=O)c1cccc(F)c1SC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 439147925 VHOPWSWHKQPSGF-UHFFFAOYSA-N 429.498 5.412 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]([C@H]4CCOC4)C3)cc2Cl)cc1 439307410 PTFVSELCDNPAAV-MSOLQXFVSA-N 425.916 5.284 30 20 IKED CCCc1c(NC(=O)c2ccccc2C(=O)c2ccccc2)cnn1-c1cccc(C#N)c1 440083994 ZNNPXJUYRSTHKN-UHFFFAOYSA-N 434.499 5.180 30 20 IKED Cc1c(COC(C)(C)C)cccc1NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 441833665 AGPGFMQMXNWRFX-INIZCTEOSA-N 439.581 5.282 30 20 IKED N#Cc1cc(F)c(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)c(F)c1 445805629 MSSUDKQGYOWXRN-UHFFFAOYSA-N 447.228 5.043 30 20 IKED C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 461096765 VPBYFZLDDOMAKJ-JOCHJYFZSA-N 441.318 5.221 30 20 IKED N#Cc1cnc2ccc(Cl)cc2c1N1CCO[C@@H](c2cccc(Br)c2)C1 462795767 FSCLZDYTAFAOPU-LJQANCHMSA-N 428.717 5.100 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 464857411 SNBASGYGKLBRET-LJQANCHMSA-N 437.503 5.073 30 20 IKED COc1ccccc1-c1ccc(CN(C(=O)N[C@H](C)c2ccc(C#N)cc2)C(C)C)cc1 465672798 VFWLHRKVLOVDTE-HXUWFJFHSA-N 427.548 5.915 30 20 IKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2-c2ccccc2)cc1 468292024 ODGIBNVWJUWXCJ-UHFFFAOYSA-N 438.936 5.337 30 20 IKED N#C[C@@H]1N(C(=O)c2ccc(-c3ccc(Br)cc3)s2)CCC[C@]12CCCCO2 468657711 CVSREZKNYHYYIL-PZJWPPBQSA-N 445.382 5.245 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(Cl)c(N)c2Cl)cc1 469635187 VPMNLZDBUUUHOV-UHFFFAOYSA-N 428.275 5.500 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N(C3CC3)[C@@H]3CCCc4ccccc43)ccc21 470539537 YZQRGBJQWTYMQT-RUZDIDTESA-N 442.563 5.343 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1 471328173 LANVCOPPCOAYLA-QFIPXVFZSA-N 446.517 5.509 30 20 IKED COc1ccc(-c2nc(SCc3ccc(C#N)cc3Cl)n[nH]2)cc1Br 473514549 WLJIAPYCIHHYNL-UHFFFAOYSA-N 435.734 5.060 30 20 IKED CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1 476130391 CIRAABPDECCBBW-HXUWFJFHSA-N 448.544 5.299 30 20 IKED CC[C@@H](N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F)c1ccc(C#N)cc1 479520226 WGHQYAHCALZVCN-MSOLQXFVSA-N 427.264 5.114 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@@H](C)c2cccc3ccccc23)nnc1-c1ccncc1 481344498 HWJLULDJVSJGNV-SFHVURJKSA-N 443.576 5.039 30 20 IKED CS(=O)(=O)c1cccc([C@@H](N[C@@H]2CCCCc3cc(C#N)ccc32)c2ccccc2)c1 481648682 AJUABALVLZLQIH-FTJBHMTQSA-N 430.573 5.108 30 20 IKED CCOc1ccc(N(C(=O)C[C@H](CC#N)c2ccccc2)c2nc3ccccc3s2)cc1 483073618 MBQALYCIQHZKJK-FQEVSTJZSA-N 441.556 6.447 30 20 IKED COC(=O)c1ccc(OC(C)C)c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 483502562 SXBLSNSDGHOBOR-UHFFFAOYSA-N 430.460 5.177 30 20 IKED Cc1cccc2[nH]cc(CCNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c12 491569456 LFQYEETUDOYQED-UHFFFAOYSA-N 438.531 5.486 30 20 IKED C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 497783911 GSWNWUNQQPFYJJ-ACJLOTCBSA-N 437.487 5.158 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)cc1 497995994 FORFJLWFBXUILX-XMMPIXPASA-N 445.494 5.703 30 20 IKED CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 498284287 DXDSFRYMMUCWNF-UHFFFAOYSA-N 449.963 6.105 30 20 IKED CC(C)(C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)c1csc(-c2ccccc2F)n1 498794684 ZHJZASXTONVCHI-UHFFFAOYSA-N 449.486 5.062 30 20 IKED C=CCN(CCc1ccco1)C(=O)NCc1cc(-c2c(OC)ccc3ccccc23)no1 498822426 LFKTXMDUIHCJBB-UHFFFAOYSA-N 431.492 5.037 30 20 IKED N#Cc1ccc(SCC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)cc1 499239765 PCQYPBLMNAMZNF-UHFFFAOYSA-N 447.413 5.634 30 20 IKED C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1 500352304 WLRZHRXVXGLWQE-FGSBKAERSA-N 438.955 5.406 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 502102652 ZUAIFMBAESQRLL-JKSUJKDBSA-N 449.366 5.865 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1ccc(Br)s1 502399257 NHANEFACWSEXIP-CQSZACIVSA-N 425.396 5.137 30 20 IKED COc1cc(C)c(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC 502498994 PIJFPGVVMNIWCI-UHFFFAOYSA-N 431.492 5.415 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 503464772 RNFTVAABYIVQFR-CQSZACIVSA-N 438.380 5.272 30 20 IKED COc1ccccc1Oc1ccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1 503640619 BMEYRDRPYMVWQE-UHFFFAOYSA-N 425.488 5.680 30 20 IKED N#C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1cccc(C(F)(F)F)c1 505948657 PLFVNYOIARDXII-QGZVFWFLSA-N 433.817 5.327 30 20 IKED C[C@H](Nc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1[N+](=O)[O-])c1ccccn1 506236063 PRODVZZZDGYBEI-AWEZNQCLSA-N 447.520 5.227 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCOc3c(Cl)cccc32)cc1 507892834 WVEVFJQPQXINIE-OAQYLSRUSA-N 434.948 5.758 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(C3CC3)nc3onc(CCC)c23)cc1 508145021 XVCOHONYEZVYMN-UHFFFAOYSA-N 444.535 5.119 30 20 IKED C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC(OC(C)(C)C)CC1 508957155 XBIZJPORFZASIO-UHFFFAOYSA-N 446.595 5.494 30 20 IKED CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510007113 WBWBWLXXPCILBJ-UNMCSNQZSA-N 435.980 6.598 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)oc2ccc(Cl)cc12 513670987 FGOUNUHMRUPAPW-AWEZNQCLSA-N 437.908 5.474 30 20 IKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)nc2ccccc21 515598329 RUVXITJEIISAJS-UHFFFAOYSA-N 438.553 5.795 30 20 IKED COc1cc(-c2noc(-c3ccc(COc4ccc(C#N)cc4)o3)n2)ccc1OC(F)F 517611503 LOLOWZKRPPIJOI-UHFFFAOYSA-N 439.374 5.057 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 517695082 RDWVBGKKMDZSDO-UHFFFAOYSA-N 449.551 5.173 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Cl)ccc3OC(C)C)n2)cc1 518516758 WRVTYTGMLNEPKD-SFHVURJKSA-N 426.925 5.749 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)c1 520582615 SERASSXEGGXDIN-UHFFFAOYSA-N 438.487 5.298 30 20 IKED CC[C@H](C)n1c(SCC(=O)Nc2cc(C#N)cn2C(C)(C)C)nnc1-c1ccccc1 520809933 YGKGCWHREJXXPV-INIZCTEOSA-N 436.585 5.075 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c12 520835596 QNQIANQGMBXNRC-HNNXBMFYSA-N 446.532 5.939 30 20 IKED CCCC[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 521740161 PGSKEWRSZANHOG-ZBFHGGJFSA-N 441.519 5.125 30 20 IKED COC(=O)C[C@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(SC)cc1 521748207 PUWRJRSDGVUJOQ-KXBFYZLASA-N 443.594 5.086 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)c1 522640882 DDZVLYQMYXMXST-QFIPXVFZSA-N 436.895 5.418 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N[C@H]3C[C@@H]3c3ccccc3C(F)(F)F)o2)cc1 524379733 URDCDDWHCVIICY-QUCCMNQESA-N 426.394 5.035 30 20 IKED COc1ccc(F)cc1-c1csc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)n1 524381991 CVPZBPYSGYCFRZ-UHFFFAOYSA-N 449.463 5.254 30 20 IKED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ccc(COCc2ccccc2)cc1 525534775 QXVMYARDJMKPHE-UHFFFAOYSA-N 446.450 5.095 30 20 IKED CC(C)Cn1ncc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1C(F)F 534120948 CYODMCPZTJLBIG-UHFFFAOYSA-N 444.869 6.046 30 20 IKED Cc1nnc(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)n1[C@H]1CCC[C@@H](C)C1 534606437 VMXOXTYTAPLRMD-NUJGCVRESA-N 443.642 5.463 30 20 IKED COc1ccccc1[C@@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1ccccn1 534838156 CHVNNKVDHPFLPZ-AREMUKBSSA-N 434.499 5.225 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3cccc4c3CN(c3ccccn3)C4)c2)c1 535290259 URSSGBIEIQCFQG-UHFFFAOYSA-N 446.510 5.305 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)c1ccc(-c2ccncc2)cc1 537138339 KPPOMEFRAFVWQY-OALUTQOASA-N 430.577 5.432 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1ccc(-c2cccnc2)cc1 540433238 QSNIROAVUOUFDV-RTBURBONSA-N 430.577 5.432 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CSc2ccc(C#N)cc2)cs1 541835030 NGQXLEMYQJCIHS-UHFFFAOYSA-N 433.480 6.010 30 20 IKED COc1ccc2oc([C@@H](C)NCC(=O)Nc3ccccc3SC[C@H](C)C#N)c(C)c2c1 544482194 NEJYDNNRUMWKHA-NVXWUHKLSA-N 437.565 5.291 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)cc1Cl 548278706 HNBBSICALPPHPV-UHFFFAOYSA-N 426.307 5.102 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 549198100 DWVBWXAIUKJPGQ-UHFFFAOYSA-N 435.314 5.302 30 20 IKED N#Cc1cccc(OC2CCN(CCC(=O)Nc3ccccc3Oc3ccccc3)CC2)c1 552202820 MHGNAKDIUUKCLP-UHFFFAOYSA-N 441.531 5.223 30 20 IKED C[C@H](NC(=O)N(C)C[C@H]1OCCc2ccccc21)c1ccc(-c2cccc(C#N)c2)cc1 571474741 FNLNYLHILONUDA-AFMDSPMNSA-N 425.532 5.242 30 20 IKED N#Cc1ccc(N2CC[C@H](c3nc([C@H](F)c4ccc(C(F)(F)F)cc4)no3)C2)c(F)c1 573762078 BNTPVMGWTQWJNI-KBXCAEBGSA-N 434.368 5.152 30 20 IKED COc1cc(CNCc2ccc(C#N)cc2C(F)(F)F)ccc1OCc1ccccc1 578265781 DYJQCJRGZFMYBR-UHFFFAOYSA-N 426.438 5.454 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCCC[C@H]3c3nnc(C4CCC4)o3)c2)cc1 578466729 PGRVSGKOMBNKFM-QFIPXVFZSA-N 443.507 5.760 30 20 IKED CCOC(=O)c1sc2nc(CN(C)C)nc(Oc3ccc(C#N)c4ccccc34)c2c1C 583505573 KMNBRJSFLPIBRX-UHFFFAOYSA-N 446.532 5.055 30 20 IKED Cc1nn(CCC#N)c(C)c1CCc1nc(C2(c3ccc(F)cc3F)CCCCC2)no1 583719436 MTHUELQAXRQKAP-UHFFFAOYSA-N 439.510 5.110 30 20 IKED N#Cc1cc(Oc2ccc(NCc3nc(O)c4ccc(C(F)(F)F)cc4n3)cc2)ccn1 589566234 RRKGHKMDSWLXBN-UHFFFAOYSA-N 437.381 5.025 30 20 IKED C=CCN(C(=O)Nc1ccc2nc(C(C)C)sc2c1)[C@H](C)c1cccc(-n2cnnn2)c1 596361677 WKTHQYVFTYOEMH-MRXNPFEDSA-N 447.568 5.177 30 20 IKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cnn1-c1ccccc1 603766762 XBJNXILNCKYVIN-QFIPXVFZSA-N 426.907 5.742 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1nc2cc(Cl)ccc2s1 606753684 LORHLOWGJXXACK-CQSZACIVSA-N 446.841 5.644 30 20 IKED COc1ccc2c(c1)c(C(=O)[C@@H](C#N)c1nc3ccccc3n1C)c(C)n2Cc1ccccc1 606754335 SYIGJTVQHBRFDQ-JOCHJYFZSA-N 448.526 5.383 30 20 IKED CC(C)C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1nc2ccccc2[nH]1 609055463 HAWWJHUHKZZOGY-QFIPXVFZSA-N 428.492 5.124 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCc3nc4ccccc4[nH]3)cc2Cl)c1 609062823 HJIAWFDTTRGVFI-UHFFFAOYSA-N 430.895 5.238 30 20 IKED Cn1ccnc1Sc1ccccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 609298980 XRXOOEZQLFBCFH-UHFFFAOYSA-N 444.491 5.627 30 20 IKED CC(C)(C)c1ccc(OCCCn2cc(C#N)c(=O)c3cc(Br)ccc32)cc1 609962208 JPNDNPVUJXVWJN-UHFFFAOYSA-N 439.353 5.402 30 20 IKED N#CCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1)C1CCCC1 609976803 IDXPLRSEFLMSFF-UHFFFAOYSA-N 435.531 5.055 30 20 IKED Cc1noc(-c2ccccc2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1 610224513 UQELROIBVCWXLY-NRFANRHFSA-N 428.879 5.606 30 20 IKED N#Cc1cc(CN2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)ccc1F 610719762 IBIAVSGIVCOYLL-RUZDIDTESA-N 434.559 5.386 30 20 IKED N#Cc1c(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)sc2c1CCCC2 612511536 GMQCQNBCTWTIQS-UHFFFAOYSA-N 443.450 5.957 30 20 IKED Cn1cc(CNc2ccc3c(c2)CCC(=O)N3CCCC#N)c(-c2cc3ccccc3o2)n1 615728656 KGXIEHCHJQBNTK-UHFFFAOYSA-N 439.519 5.028 30 20 IKED COc1ccc(CCN(Cc2ccccc2)C(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1 618847374 PTMWPTVXFBMLQR-AREMUKBSSA-N 425.532 5.009 30 20 IKED C=CCN(Cc1cccs1)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 619406751 GIEIEOQHCCKJNM-UHFFFAOYSA-N 439.408 5.501 30 20 IKED Cc1nc(COc2cccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c2)cs1 642282298 AURYPGABNDTDKF-KRWDZBQOSA-N 438.459 5.265 30 20 IKED C#Cc1ccc(C(=O)N(CCCC)c2nc(-c3ccc(Cl)cc3Cl)cs2)nc1 728801444 VWUQCWLVMFKMJX-UHFFFAOYSA-N 430.360 5.940 30 20 IKED COc1cc(C)c(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1OC 731319329 OYDALYYZICVPFB-DHZHZOJOSA-N 436.533 5.358 30 20 IKED COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cc3ccccc3n2CC#N)cc1 732115141 TUBHDTRLGYJFCV-UHFFFAOYSA-N 438.531 5.086 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)cc1OC 734406669 SWBYJIQIEJADSP-HHNIYZAYSA-N 447.556 5.220 30 20 IKED C=CC[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccncc1 734510132 RFVQBARLEREANO-LJQANCHMSA-N 428.286 5.419 30 20 IKED Cc1nnc(-c2cccc(C#N)c2)n1CN1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 739850249 GDINWEWDNLCJOS-OAQYLSRUSA-N 425.458 5.329 30 20 IKED Cc1nc(C(C)(C)C)sc1C(=O)/C=C/c1cn(C)nc1-c1ccc2c(c1)OCCCO2 740616161 JSLHIGZWXVLVRG-VQHVLOKHSA-N 437.565 5.207 30 20 IKED COc1cc(/C=C\C(=O)c2ccc3c(c2)COC3)c([N+](=O)[O-])cc1OCc1ccccc1 742437267 RZCXVTISXCHVKF-KTKRTIGZSA-N 431.444 5.109 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1NC(=O)OC(C)(C)C 744030041 YMCGPDDXGHRUCV-HXUWFJFHSA-N 443.503 5.456 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 744030269 BZHZQDPDMNWGPP-KRWDZBQOSA-N 438.405 5.131 30 20 IKED CC(C)=CC(=O)NCc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 744035370 QVDIJBAMZZPUCU-FQEVSTJZSA-N 449.963 5.536 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H]3C[C@@H](O)c3ccc(F)cc3)c2)cc1 746241871 PQXYJNLTCZMILD-WIOPSUGQSA-N 430.479 5.218 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 746436876 JREFXPVNOFLOHJ-QGZVFWFLSA-N 446.347 5.074 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(Cl)c(C(F)(F)F)c1 747204007 GOVZUKZMOBWSJU-NSHDSACASA-N 445.224 5.290 30 20 IKED CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 748482701 NFICRMXCZLBOIN-FUHWJXTLSA-N 429.973 5.067 30 20 IKED CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C#N)s2)NC(=S)N1c1cccc(F)c1 749010719 IYIBOJGUGRDFBO-NRFANRHFSA-N 448.548 5.107 30 20 IKED Cc1oc(-c2ccco2)nc1CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 750399014 YFSILOQBFORSFN-LBPRGKRZSA-N 431.395 5.291 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3C[C@@H](O)c3cccs3)cc2)cc1 751001275 VNTNRRWLTBOGQJ-DENIHFKCSA-N 433.533 5.532 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCCCC[C@@H]2C[C@@H](O)c2ccco2)c1 752101459 MQMAJOKYCCBMOA-ILBGXUMGSA-N 444.531 5.239 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 755001333 MKHXGRKBSCPUMP-JTQLQIEISA-N 438.278 5.143 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H](C)Cc1cccc(Cl)c1 756351948 XAWJODROIRCYCQ-CVEARBPZSA-N 430.957 5.095 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 758601611 GNSJBNZLMGPDMK-KURKYZTESA-N 446.617 5.238 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 759220228 CIZBEHAVYINRRH-LSDHHAIUSA-N 433.961 5.306 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cnc(C2CCC2)s1 760225964 GVTDVHCVRIMILC-UHFFFAOYSA-N 440.981 5.693 30 20 IKED COC(=O)C1C/C(=C\c2cccc3cnccc23)C(=O)/C(=C/c2cccc3cnccc23)C1 761487569 VHDXLPAEVVMTHB-FWSOMWAYSA-N 434.495 5.402 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)N[C@H](c3ccccc3)c3ccc(Cl)cc3)CCO2)c1 761642655 VSOBCNWLOIARBP-DNQXCXABSA-N 431.923 5.084 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1sc(-c2ccccc2)nc1C(F)F 761667290 WTGIKGDSIZEZCN-UHFFFAOYSA-N 434.471 5.497 30 20 IKED Cc1sc(Cl)nc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 762842629 PXUNLVKKDPDKLH-UHFFFAOYSA-N 442.875 5.295 30 20 IKED Cc1oc(-c2ccco2)nc1CC(=O)OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F 764900286 REYXIWHGVZRLET-UHFFFAOYSA-N 437.267 5.104 30 20 IKED COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)c2cn(CCCC#N)c3ccccc23)c1 767859561 JZILCJDJGFDBSR-UHFFFAOYSA-N 448.523 5.553 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(N2CCCc3ccccc32)cc1 769946365 SJJDCZIQUTWULD-FQEVSTJZSA-N 429.907 5.385 30 20 IKED CCCN(C(=O)c1ccccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(C)C 771514100 MYTRPJJLESQRTF-UHFFFAOYSA-N 442.519 5.258 30 20 IKED Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)c1ccccc1Oc1ccccc1C#N 773617893 CODVHALBROJRGY-AREMUKBSSA-N 435.483 5.388 30 20 IKED Cc1nc(CSc2ccc(C(=O)O[C@@H](C#N)Cc3ccc(F)cc3F)cc2)cs1 774343010 WQTJMPMHIBQHOQ-GOSISDBHSA-N 430.501 5.314 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCc1ccc(CC#N)cc1 776113207 CCXNIMVHKUSKBD-HNNXBMFYSA-N 426.925 5.426 30 20 IKED N#Cc1cc(N[C@H](c2ccc(F)cc2)c2ccccc2Cl)ccc1N1CCC(O)CC1 779160485 XPSPEPGEHZYBBF-RUZDIDTESA-N 435.930 5.513 30 20 IKED Cc1ccc(C2(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)CCOCC2)cc1 779197917 OOOJEUJYZDPPFW-KRWDZBQOSA-N 438.499 5.321 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)Nc3ccccc3O[C@@H](C)C#N)s2)cc1 780679319 ASWRYVHFIISGHE-FUHWJXTLSA-N 434.565 5.943 30 20 IKED Cc1nc(F)ccc1/C=C1/CC(C#N)(c2ccccc2)C/C(=C\c2ccc(F)nc2C)C1=O 782304939 XOGFESKBCIXCNU-VZHHCOETSA-N 441.481 5.663 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2ccccc2)C(=O)N[C@@H]1c1scnc1C1CC1 783645382 KOPWSSUTVTYGCY-QFIPXVFZSA-N 447.535 5.426 30 20 IKED CCC(CC)n1nc(C(=O)[C@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1C 787046883 UNDVFMHUCOCAIW-GUYCJALGSA-N 435.355 5.059 30 20 IKED CC(C)[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H](O)c1ccccc1 788579306 YBPXEBCSUGXDDR-UIOOFZCWSA-N 443.547 5.211 30 20 IKED Cc1c(C(=O)N2CCC(COc3ccc(Cl)nc3)CC2)sc2ccc(C#N)cc12 794460563 YZEZSZXEEOKHCR-UHFFFAOYSA-N 425.941 5.061 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccsc3)N([C@H]3CC[C@@H]3C)C2=O)c1 795182667 LKSRDTSMHDDWCH-SNRMKQJTSA-N 427.595 5.124 30 20 IKED N#Cc1ccc(N2CCC(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)CC2)c(F)c1 796810057 DQWPOWSSCGTJGT-MRXNPFEDSA-N 438.915 5.053 30 20 IKED CC(C)(C(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1)c1cc(F)cc(C#N)c1 803243005 JJDWOFMRCMNJKZ-UHFFFAOYSA-N 442.534 5.152 30 20 IKED COc1cc(COC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)ccc1OCc1cccc(C#N)c1 803737934 QUEQLTCVUUJKKY-OALUTQOASA-N 433.426 5.168 30 20 IKED CC(=O)c1oc2cc(C)ccc2c1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 805856068 UTNPQUMDLATCLO-LJQANCHMSA-N 448.931 6.140 30 20 IKED CC(=O)N(c1nc(C=NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)C1CC1 814948897 KMHDGILXOYESTN-UHFFFAOYSA-N 436.381 5.142 30 20 IKED N#CCCC[C@H](NCc1cc(Br)cc(Br)c1O)c1ccccc1 816627772 XMLHSPFVSQMHJJ-KRWDZBQOSA-N 438.163 5.442 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1 915087218 QKDMBJXVTBLSIF-VWLOTQADSA-N 440.506 6.205 30 20 IKED CCOc1cc(/C=C/C(=O)c2sccc2Br)cc(Br)c1O 915112981 KCERIUWVVFPNQS-ONEGZZNKSA-N 432.133 5.274 30 20 IKED C[C@H](OC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1nnc(-c2ccccc2)o1 915511635 CJYPNXNKSBWNPC-KRWDZBQOSA-N 425.444 5.105 30 20 IKED Cc1ccc(N2C(=O)/C(=C/c3cn(CCC#N)nc3-c3ccccc3)SC2=S)cc1 916140014 PEXREJIHYHTHNC-ZHZULCJRSA-N 430.558 5.178 30 20 IKED CC(C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1 916211267 BCQPXJKVRKAGDY-GOSISDBHSA-N 433.936 5.095 30 20 IKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1 916212892 SWQYULUBXAJENS-SFHVURJKSA-N 449.498 5.384 30 20 IKED Cc1nc(-c2cccs2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916928111 UJGGCMZQVQHPTK-LLVKDONJSA-N 436.345 5.448 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)cc1Cl 916940020 KAOZSHVTIQJGPH-IIBYNOLFSA-N 449.938 5.337 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(Cc3ccc(F)cc3)nc2C)cc1 916951566 ZCAHOXDQGUQJLV-BTYIYWSLSA-N 449.551 5.656 30 20 IKED CC(C)c1cccc(C(C)C)c1NC(=O)CON=C(N)c1cccnc1Oc1ccccc1 921028478 HNHPWKNXGNDAGF-UHFFFAOYSA-N 446.551 5.396 30 20 IKED Cc1cscc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1788746960 WAMOFCOOARYXRR-UHFFFAOYSA-N 429.545 5.184 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(OC)ccc4o3)cc2)CCC1 1789241991 XMUHSLTYYBHDGR-KRWDZBQOSA-N 432.520 5.401 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3c(Cl)cncc3Cl)CCC2)cc1 1791727498 WKODEYQZOUQEAT-UHFFFAOYSA-N 444.362 5.330 30 20 IKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2CCCCC2)[nH]n1 1819384345 JOPRBWMDDTUFSO-OAQYLSRUSA-N 442.680 5.033 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C)c(F)c2F)n[nH]1 1823191373 FKANUVNQHINSRD-IBGZPJMESA-N 442.510 5.071 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1823755224 OEFJOHCIHKBWAG-SQJMNOBHSA-N 449.639 5.539 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(OC)c2F)CC1 1823755300 RXIIVKDNAZIRQQ-OAQYLSRUSA-N 444.591 5.060 30 20 IKED CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)CCCCC1 1824054208 JQBDXBZRKVQBBQ-VWLOTQADSA-N 449.639 5.081 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)nc2F)CC1 1825373710 QYLWMOGYIGIWAN-IBGZPJMESA-N 449.998 5.100 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2oc3ccccc3c2C)CC1 1828129755 ZKQVQPWMBMPWJR-HXUWFJFHSA-N 444.522 5.186 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3[nH]c(C)cc3c2)CC1 1828829375 CEWVOYPXQNPFNE-AZGAKELHSA-N 447.623 5.478 30 20 IKED COc1ccccc1-n1c(COc2ccccc2-c2ccccc2)nnc1SCC#N 8753080 BLWIOZAGQRJFEB-UHFFFAOYSA-N 428.517 5.138 30 20 IKED Cc1ccccc1N/C(S)=C(\C(=O)c1ccc(C(C)C)cc1)[n+]1ccc(N(C)C)cc1 11168259 CEWKADJZNAHRKU-UHFFFAOYSA-O 432.613 5.523 30 20 IKED C=CCn1c(SCc2csc(-c3ccsc3)n2)nc2sc(C)c(C)c2c1=O 14758089 YHSCUFVCKMRBJM-UHFFFAOYSA-N 431.633 5.738 30 20 IKED C=CCn1c(C)nnc1S[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 22006552 DBTDDLJWLSNKED-GOSISDBHSA-N 433.364 5.551 30 20 IKED Cc1ccc(-n2c(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)nnc2-c2cccc(C)c2)cc1 22137196 GLULFRKUWGNNPH-KBMIEXCESA-N 447.608 5.086 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2ccccc2CC)cc1 22727272 JOYVDUSQZXRSGV-UHFFFAOYSA-O 441.523 5.264 30 20 IKED CSc1nc(C2CC2)cc(C(=O)O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)c1C#N 28491173 SNIYYYXDIZSBIL-ZDUSSCGKSA-N 443.956 5.007 30 20 IKED COc1cc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)ccc1OCC#N 33472642 DHXOWBDGDMOWRU-XDJHFCHBSA-N 426.497 5.631 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 61139699 GOQNJSXZBPQBAT-UHFFFAOYSA-N 444.387 5.968 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 303176945 XOWZCEXFQZJFLW-UHFFFAOYSA-N 443.494 5.682 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3C[C@@H]3c3cccc(C(F)(F)F)c3)s2)cc1 303431705 FYGQCOMAMXUJBH-MOPGFXCFSA-N 427.451 5.367 30 20 IKED Cc1nc2cc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)ccc2n1Cc1ccsc1 409541816 YRUDTZUJWVNKLC-INIZCTEOSA-N 446.601 6.101 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(Cn3ccnc3)c2)cc1Cl 410346289 HMYLBQDCDAWJGF-QHCPKHFHSA-N 426.907 5.493 30 20 IKED C[C@H](CC1CCCCC1)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 427862744 XBCRBPWTMQJRLB-CQSZACIVSA-N 441.519 5.125 30 20 IKED CC(C)c1n[nH]c(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1 428352498 QHZMYTKILBEWAB-LBPRGKRZSA-N 434.306 5.359 30 20 IKED Cc1noc(C[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c2ccccc2)n1 429527459 MCTFGNLRZVIKIR-HSZRJFAPSA-N 438.487 5.064 30 20 IKED COc1ccccc1-c1ccc([C@H](C)NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 431978284 VTTFUXQATMCIQS-CPJSRVTESA-N 427.548 6.158 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)cc1 433959192 KRVOIRIQCMAOIR-UHFFFAOYSA-N 445.331 5.319 30 20 IKED CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)s1 437841768 PVUXKAHEUGMDRQ-QGZVFWFLSA-N 434.565 6.211 30 20 IKED CSc1ccc(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1Cl 439306937 VBYOCKGCKJGGJU-UHFFFAOYSA-N 437.908 5.303 30 20 IKED CCCc1c(NC(=O)N2CC(Cc3ccccc3Cl)C2)cnn1-c1cccc(C#N)c1 439671950 KCSOOSZSQJGYDO-UHFFFAOYSA-N 433.943 5.056 30 20 IKED C=CCC[C@H](NC(=O)N1CCC(C(=O)NCCCC)CC1)c1ccc(C(F)(F)F)cc1 442302830 WOYUGVKCIULZLE-FQEVSTJZSA-N 439.522 5.051 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C 442380896 MBHYRNUBHIQFOA-BXYVBBHNSA-N 441.984 5.044 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)N1CC=C(C(F)(F)F)CC1 444029923 ZEXZQVYZSVVXOV-ZDUSSCGKSA-N 434.302 5.603 30 20 IKED Cc1cccc2nc(C3CCN(CCC(=O)Nc4sc5c(c4C#N)CCCC5)CC3)oc12 444759624 HKXQYIGVGYYXNM-UHFFFAOYSA-N 448.592 5.156 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2c[nH]nc2-c2nccs2)cc1Cl 446138848 PRBHOWFICPUQAO-INIZCTEOSA-N 434.912 5.486 30 20 IKED CSc1nc(O)c(C(=O)Nc2ccc(Cl)cc2-c2cccc3ccccc23)cc1C#N 447623986 HRBFBGSGJDPTML-UHFFFAOYSA-N 445.931 6.107 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(OC2CCOCC2)cc1 460169762 UAHYZAZMRIGSNY-UHFFFAOYSA-N 442.515 5.256 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ncoc1-c1ccccc1Cl 460171605 WYPRHFOSGUNPKA-UHFFFAOYSA-N 443.890 6.006 30 20 IKED C[C@@H](C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1)c1cccc(C#N)c1 462135335 DYWRFYGYPHWAAT-CYBMUJFWSA-N 439.302 5.255 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)CCc1nc2cc(Br)ccc2s1 463286987 XDKQEHVTTRGULH-UHFFFAOYSA-N 445.382 5.215 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1nc(O)c2c(-c3ccccc3)csc2n1 464818213 KTAJLQUQKRCVGN-CTNGQTDRSA-N 426.545 5.336 30 20 IKED CCN(C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)c1ccccc1S(=O)(=O)CC 465462696 HNPZVLGLNNQDIL-UHFFFAOYSA-N 448.544 5.119 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2c(-c3ccncc3)nc3ccccn23)cc1 465464265 DULUSZYHYFPARK-UHFFFAOYSA-N 445.482 5.621 30 20 IKED COCc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)o1 467167730 DUNFRKZNTAAXDJ-DEOSSOPVSA-N 445.519 5.440 30 20 IKED N#CCCCn1cc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)c2ccccc21 469823131 XHCRQJJNKCYWCO-KRWDZBQOSA-N 437.927 5.266 30 20 IKED C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469972647 JWBPVJMYMKTRCY-INIZCTEOSA-N 443.469 5.106 30 20 IKED CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccc(C(C)(C)C#N)cc1 475164522 IUWHBLMIKXFSTO-UHFFFAOYSA-N 432.543 5.502 30 20 IKED Cc1nn(CC(F)(F)F)cc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 477070832 SWHBPZGUVOBHML-UHFFFAOYSA-N 434.805 5.324 30 20 IKED CCc1nc2c(s1)[C@@H](N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)CCC2 478045777 KIQBBRICMCDPHZ-FQEVSTJZSA-N 439.629 5.059 30 20 IKED N#Cc1cc(Cl)ccc1CSc1nnc(COc2ccccc2)n1Cc1ccco1 479101084 PMMHQOCFOSLYKH-UHFFFAOYSA-N 436.924 5.316 30 20 IKED N#CCCCOc1cccnc1NC(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 480012636 AOGXCNHDIKGNIR-DHIUTWEWSA-N 427.504 5.085 30 20 IKED COc1cc([C@@H](C)N[C@H]2CCCCc3cc(C#N)ccc32)ccc1OCc1ccncc1 481914385 KOUGBDCQFNUCHF-CLOONOSVSA-N 427.548 5.659 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)C[C@@H](c3ccccc3)C(F)(F)F)c2)cc1 482881734 YOQORWHYWGLKSS-QHCPKHFHSA-N 438.449 6.006 30 20 IKED Cc1ccc(F)c(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1Br 484699724 JFSUIDVDEDOKJL-UHFFFAOYSA-N 439.284 5.600 30 20 IKED CCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 496555847 QXHQSZYWDCQAAB-FNZWTVRRSA-N 427.548 5.482 30 20 IKED C=CCc1cc(CNC(=O)N(C)[C@H](C)c2ccc(C(F)(F)F)cc2)cc(OC)c1OC 497792498 OORVICMPPKIKDN-OAHLLOKOSA-N 436.474 5.354 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCC1(c2ccccc2)CCOCC1 501653202 ABFQYDYYPLOANN-UHFFFAOYSA-N 428.557 5.188 30 20 IKED C=CCc1cc(CNC(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)cc(OC)c1OC 502607772 BPSJBOLEOWNGOP-INIZCTEOSA-N 437.565 5.116 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c2)cc1 503560599 BHSFOZAZJYUWDP-IBGZPJMESA-N 428.398 5.585 30 20 IKED COc1ccc(C[C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2ccc(OC)cc2)cc1 503795392 UHSILDJZEPIYRJ-VWLOTQADSA-N 443.547 5.610 30 20 IKED Cc1cc(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)nn1CCC#N 504222816 IQWCALZGIQIGLR-UHFFFAOYSA-N 433.562 5.138 30 20 IKED N#C[C@@H](NC(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(OCc2ccccc2)cc1 505362334 NSHIDLFCVKCPHO-OAQYLSRUSA-N 428.385 5.418 30 20 IKED N#C[C@@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1c(Cl)cccc1Cl 505531963 HZICEYXMNKSHIN-MRXNPFEDSA-N 430.316 5.302 30 20 IKED CCNC(=O)c1cccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 505909315 HPVJAHCXDZGQEB-JOCHJYFZSA-N 446.938 5.067 30 20 IKED N#CC1(c2ccccc2)CCC(NC[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 507651265 DKPSEXPAAVAFIE-BJRAERQBSA-N 438.413 5.269 30 20 IKED CCN(C(=O)NCc1cccc(C#N)c1)[C@H]1CCSc2ccc(Br)cc21 508141028 CWMAZUYOWGBKMP-SFHVURJKSA-N 430.371 5.089 30 20 IKED N#Cc1c(NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)sc2c1CCCC2 508924472 PXCJVEFHPOYTNH-UHFFFAOYSA-N 427.614 5.082 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)N[C@H](c3ccccc3)c3ccc(F)cc3)CC2)cc1 509760089 FLJWMDLBODWMQG-RUZDIDTESA-N 429.495 5.040 30 20 IKED O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 512562361 UMZGNFURTGBMKM-UHFFFAOYSA-N 447.310 5.224 30 20 IKED CC(C)c1nc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)nn1-c1ccccc1Cl 512982430 XXTABWZBMYLEMP-HNNXBMFYSA-N 448.939 5.053 30 20 IKED N#Cc1cccnc1Oc1ccccc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 515633659 QTINVAWGKHITMB-UHFFFAOYSA-N 427.485 5.213 30 20 IKED Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c12 517456369 IZWFWYLHEILSBD-OAHLLOKOSA-N 428.517 5.702 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1 518030351 STFVHLMLEYXBLX-UHFFFAOYSA-N 443.478 5.368 30 20 IKED Cc1cccc(CN(Cc2ccco2)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 518380772 XKDXGTPRHFHLBI-UHFFFAOYSA-N 426.438 5.370 30 20 IKED C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 518402506 PCEJGMNGBBSGHL-HNNXBMFYSA-N 425.410 5.125 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccc(F)cc2C(F)(F)F)cc1C 518893664 MEHADIYKGCMYBU-UHFFFAOYSA-N 444.432 5.169 30 20 IKED Cc1cc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)n(-c2ccc(Cl)cc2)n1 518903481 CVVGADGYQRNBDD-UHFFFAOYSA-N 429.867 5.145 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)c1 520315957 UJFRXNVHYZNDCY-UHFFFAOYSA-N 439.943 5.026 30 20 IKED CCCC[C@@H](CC)COCc1cccc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 521324691 HRDMRXMPTHEXTA-OAQYLSRUSA-N 449.599 5.040 30 20 IKED C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 521685939 MMWNEZWFIKQSCY-FQEVSTJZSA-N 445.538 5.579 30 20 IKED CC(C)CN(Cc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 521840646 FDRWWYVATIBZEN-UHFFFAOYSA-N 427.548 6.022 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(C(=O)Nc4ccccc4)cc3)cc2)nc1 521957649 OTEBYJQZUJSAIH-UHFFFAOYSA-N 434.455 5.250 30 20 IKED C=CCn1c(SCc2nnc(-c3c(Cl)cccc3Cl)o2)nnc1-c1ccccc1 522486651 NQMRLPLKACPFQZ-UHFFFAOYSA-N 444.347 5.780 30 20 IKED C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C 523517907 AOXOEFDGTWVJGN-GOEBONIOSA-N 448.430 5.121 30 20 IKED COc1cc(CSCC(=O)Nc2ccccc2C)ccc1OCc1cccc(C#N)c1 523970551 OMAPGSHKZPFWOZ-UHFFFAOYSA-N 432.545 5.326 30 20 IKED C=CCOc1ccc(CN[C@@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)cc1OC 524687445 PCYWTUJCXIIDMM-HXUWFJFHSA-N 436.577 5.559 30 20 IKED COc1ccc(CSc2nnc(COc3ccccc3Cl)n2C2CC2)cc1C#N 533468923 PELXJOZCYWIEDJ-UHFFFAOYSA-N 426.929 5.018 30 20 IKED COc1cccc(/C=C(\CC(=O)N[C@](C)(C#N)CC(C)C)c2nc3ccccc3s2)c1 535326777 SMSPLOIHYUYQSX-OOZHPRAUSA-N 433.577 5.680 30 20 IKED Cc1cc(C)c(C[C@H](C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)C(F)(F)F)c(C)c1 535888016 LXTMOVRNNWBZAH-CQSZACIVSA-N 449.357 5.676 30 20 IKED CN(CC(=O)Nc1ccccc1SCC#N)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 537366982 BKRDODGBCSBPDH-AZUAARDMSA-N 447.526 5.528 30 20 IKED C=CCOc1c(Br)cc(/C=C(\C)c2nc(O)c3ccsc3n2)cc1OC 537652298 NJXJMGCFFZEZQT-DHZHZOJOSA-N 433.327 5.293 30 20 IKED CCOc1ccc([C@@H]2CCCN2C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cc1 543888595 UMWXRELAKNBWLP-FQEVSTJZSA-N 435.915 5.165 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 549328149 ZHSWUSPNVFOGRK-FDDCHVKYSA-N 443.526 5.175 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)[C@@]2(Cc3ccc(Cl)cc3)C[C@H]3CC[C@H]2C3)CC1 558594184 HGMPOTDDZWAPDR-WOVHNISZSA-N 433.983 5.168 30 20 IKED Cc1cccc(-n2ncc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c2C)c1 561158841 NWWMTFCUWPMFDT-UHFFFAOYSA-N 444.482 5.766 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 563327739 CLHIJZNNBRFNAF-RPWUZVMVSA-N 431.536 5.011 30 20 IKED CC1(C(=O)Nc2ccccc2Br)CCN(c2ccc(Cl)cc2C#N)CC1 567076699 HABYLMFAZWOSBD-UHFFFAOYSA-N 432.749 5.219 30 20 IKED Cc1cc(SC2CCCCC2)ccc1NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 575854975 XTRUZDVNQSNFQV-UHFFFAOYSA-N 431.565 5.312 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 576538849 XPKZACAZQYUTRO-PXNSSMCTSA-N 448.567 5.175 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3cccc(-n4ccc(C(F)(F)F)n4)c3)cc2)ccn1 577151392 WMJRPWIGJKWCNB-UHFFFAOYSA-N 449.392 5.202 30 20 IKED Cc1ccc(-n2ncc(C(=O)Nc3ccc(C#N)c(Br)c3)c2C(F)(F)F)cc1 582869882 NOQWELUSVDBSTC-UHFFFAOYSA-N 449.230 5.086 30 20 IKED C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 583196979 XORLOPNKZWOEOZ-HSZRJFAPSA-N 428.536 5.289 30 20 IKED N#CC[C@@H](Cc1nc(Cc2nc3cc(C(F)(F)F)ccc3s2)no1)c1ccccc1 589084691 VRJORTDSWIUIGT-AWEZNQCLSA-N 428.439 5.529 30 20 IKED CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 590235057 OVMSTUJBISKPHT-IBGZPJMESA-N 428.488 5.054 30 20 IKED N#C[C@H](C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)ccc2s1 603613777 SDPDURYRQBYFPN-LLVKDONJSA-N 425.775 5.367 30 20 IKED COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1 603690902 SQYAYBUUGOXJFB-JOCHJYFZSA-N 444.491 5.132 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)CCCc3ccc(Cl)cc3)s2)cc1 603750197 JXJNWCCYDAKFKV-UHFFFAOYSA-N 428.970 5.317 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccn(-c3ccccc3)n2)cc1Cl 604084726 FYBYCJBPSNTADV-HSZRJFAPSA-N 441.922 5.503 30 20 IKED Cc1ccc(N(C(=O)[C@H](C)Oc2ccc(C#N)cc2)c2nc3ccccc3s2)c(C)c1 604440885 OETABJRCAXDGCD-SFHVURJKSA-N 427.529 5.917 30 20 IKED C[C@H](NC(=O)c1cc2ccccc2n1CC#N)c1ccc(NC(=O)Nc2ccccc2)cc1 609163639 SGNJWYQMYFLHCD-SFHVURJKSA-N 437.503 5.300 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCCO[C@@H](c3ccccc3)C2)cc1 609252355 JYIHQXDZNQPKPN-AREMUKBSSA-N 441.531 5.327 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 609401886 FXWJQBXDLZMRTB-SJORKVTESA-N 428.989 5.240 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2nc3ccc(Cl)cc3[nH]2)cc1 609532714 MEGZQZZJADUJQE-UHFFFAOYSA-N 432.936 5.310 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3cc(F)ccc3OC[C@H]3CCCO3)c2)cc1 609644012 FGFSIMQWOZSEJD-HSZRJFAPSA-N 446.478 5.086 30 20 IKED CC(C)(NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)C(=O)Nc1ccccc1 609723971 QQBQBBDNELZJDG-UHFFFAOYSA-N 433.895 5.151 30 20 IKED CC[C@H]1CCc2sc(-c3nnc(Sc4c(C#N)nnc5ccccc45)n3C)cc2C1 610129262 UGEGPANNGJAICZ-ZDUSSCGKSA-N 432.578 5.025 30 20 IKED N#Cc1ccc(-c2nnc(COc3ccc(-c4nc5ccccc5s4)cc3Cl)o2)cc1 610216924 NKLIOBXEHHYQPL-UHFFFAOYSA-N 444.903 6.117 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3nnc(-c4ccc(Cl)cc4)o3)cn2)cc1 610422631 ZBFZKXKMHIUSJB-UHFFFAOYSA-N 445.866 5.020 30 20 IKED CCCc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cnn1Cc1ccccc1 613404919 WNCXNZCYQCBLMA-QGZVFWFLSA-N 433.462 5.119 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(-c4ccccc4Cl)s3)n2)cc1 622977500 QSKPNQNDWWTBAH-MRXNPFEDSA-N 435.961 6.386 30 20 IKED N#C[C@@H](C(=O)c1cn(-c2ccc(Cl)cc2)nn1)c1nc2cc(C(F)(F)F)ccc2s1 642282069 IGWLEUSRIVUZPR-ZDUSSCGKSA-N 447.829 5.039 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(OC(C)C)c(Cl)c3)n2)cc1 678324713 IPDAWCKIQRVJCQ-INIZCTEOSA-N 427.913 5.144 30 20 IKED O=C(CCc1cccc(C(F)(F)F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 680968403 LTJODHFXJNTKPD-CHWSQXEVSA-N 435.330 5.664 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 726317541 APKYAPYCSQLHAI-AOMIVXANSA-N 447.579 5.013 30 20 IKED C#Cc1cccc(NC(=S)NC[C@@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)c1 726442497 BFTMJUQPQKKBMP-QHCPKHFHSA-N 425.557 5.276 30 20 IKED CCc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc(C)cc2)cc1 726571895 NSBAAPBYBORRGI-UHFFFAOYSA-O 434.972 5.693 30 20 IKED CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 727727871 LCFUAHBGFBMHHI-XMMPIXPASA-N 438.528 5.076 30 20 IKED Cc1cccc(-c2nnc([C@H](C)OC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)o2)c1 730377300 RZTGLZDVIGEUGO-INIZCTEOSA-N 443.434 5.766 30 20 IKED N#C[C@H](C(=O)CCCSc1ccc(Br)cc1)c1ccc2ccccc2n1 731135150 AFOVSLIEUVVRSN-SFHVURJKSA-N 425.351 5.746 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@@H]1c1csc(-c2ccsc2)n1 731427799 RLZKYMXEDANWES-QGZVFWFLSA-N 431.995 5.044 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(CCCCCC(=O)O)C(=O)N[C@@H]1c1cccs1 731434065 BBEABRVDSYLCAM-HXUWFJFHSA-N 446.956 5.113 30 20 IKED FC(F)(F)CC(=Nn1c(S)nnc1-c1ccccc1)c1ccc(Br)cc1 731925008 WAOTVTGXBKBWHM-UHFFFAOYSA-N 441.276 5.201 30 20 IKED Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 734650631 UTKFWVQJNDPRDM-UHFFFAOYSA-N 428.536 5.142 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)OCc2nccn2CC(F)(F)F)c1 735165783 QUVMMYUBSSVLPB-UHFFFAOYSA-N 435.789 5.120 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)NC[C@H](O)c3ccc(Cl)cc3Cl)c2)s1 740059475 JGDKBODEZQBVIN-IBGZPJMESA-N 446.359 5.126 30 20 IKED CN(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740060792 XPXOADSGVFXYIJ-UHFFFAOYSA-N 429.467 5.647 30 20 IKED COC(=O)[C@H](OC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)c1ccc(C#N)cc1 740237395 HCBJRRIDZSPPIQ-QGZVFWFLSA-N 447.299 5.060 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Nc3cccc(OCc4cscn4)c3)c2)s1 740443564 FPAAIZYDJGUQDJ-UHFFFAOYSA-N 446.557 5.644 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)NCCc3coc(-c4ccc(F)cc4)n3)c2)s1 740480588 ZUBCSHUZBTYLOY-UHFFFAOYSA-N 446.507 5.123 30 20 IKED COc1ccc(Cl)c(N2C(=O)/C(=C\c3cccc(OCCCC#N)c3)SC2=S)c1 743284450 MWIMMFBODNINHI-XDHOZWIPSA-N 444.965 5.437 30 20 IKED Cc1ccccc1-c1noc([C@@H](C)OC(=O)c2ccc(COc3ccc(C#N)cc3)o2)n1 746071979 LWRLZBWKBFBZFG-MRXNPFEDSA-N 429.432 5.007 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c1 746250976 KFANRRILRQBJKD-DQEYMECFSA-N 444.506 5.005 30 20 IKED C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 746660274 QROYCJOAYBYRAZ-JPYJTQIMSA-N 427.504 5.214 30 20 IKED Cn1c(Cl)cnc1/C=C1\CC(c2ccccc2)C/C(=C\c2ncc(Cl)n2C)C1=O 752884173 CKDHSVMVKFPRRZ-OTYYAQKOSA-N 427.335 5.074 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@H](C)c1ccc2ccccc2c1 753519218 CBKCJISFWTUBDV-ZWKOTPCHSA-N 432.545 5.377 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(F)c(C)cc2F)[n+]2ccccc2CC)c1 753975179 YAKARECGYDQNLB-UHFFFAOYSA-O 435.519 5.428 30 20 IKED N#CCOc1ccc(Cl)cc1COC(=O)CCC(=O)c1cc(Cl)sc1Cl 756607961 GPBJOMZBEFSHCU-UHFFFAOYSA-N 432.712 5.317 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Nc2ccc(Oc3ccc(Cl)nn3)cc2)c1 758474583 VEIUYESZRITFQT-SFHVURJKSA-N 449.942 5.286 30 20 IKED CSc1nc(C2CC2)cc(C(=O)O[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)c1C#N 758930581 YHRMKXUDIXNNKN-CQSZACIVSA-N 434.521 5.137 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)[C@H](C)c2sc(-c3ccccc3)nc2C)c1 759321652 JFSNYYMKVDRKCY-WIYYLYMNSA-N 448.592 5.702 30 20 IKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(C2CC=CC2)C1=O)Nc1ccccc1F 759692052 WNGNWWHJGFHTIO-IBGZPJMESA-N 443.931 5.158 30 20 IKED N#Cc1ccc(O)c(NC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C4)C3)c1 759713820 RLERLGJBTNVQCY-UEWUEVEISA-N 446.391 5.325 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2nnc(-c3ccccc3)s2)cc1 760007133 JKGRUKPHTRGWFR-NRFANRHFSA-N 425.517 5.182 30 20 IKED C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)c1cccc(C(=O)c2ccccc2)c1 762041365 XDHAAXDSLZCUHI-JPYJTQIMSA-N 436.536 6.021 30 20 IKED CCC(CC)c1cc[n+](/C(C(=S)NC2CCCCC2)=C(/O)c2ccc(C#N)cc2)cc1 762440177 LAXRORZNPQAHGX-UHFFFAOYSA-O 434.629 5.883 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(O)(c3ccccc3Cl)CC2)cc1 765234492 LGWTWTHEXKETFD-QFIPXVFZSA-N 445.950 5.511 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)N[C@](C)(C#N)C(C)(C)C)cs2)cc1 766583583 NWIIFQIVVNMJJI-HSZRJFAPSA-N 442.585 5.139 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cn(CCCC#N)c3ccccc23)cc1 774049553 BESPVQZDZJHLAE-QFIPXVFZSA-N 426.520 5.249 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(CON=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 775678236 XFUWQQISUXOWNN-UHFFFAOYSA-N 440.500 5.093 30 20 IKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)OCCC(C)(C)C#N 776363032 FUPAVJUKXRLFAE-CQSZACIVSA-N 441.578 5.169 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccnc(Cl)c2)ccc1OCC(=O)N(C(C)C)C(C)C 779460255 MJCZEKAUCOPHKG-CLFYSBASSA-N 444.959 5.054 30 20 IKED Cc1sc([C@H](C)NC(=O)Nc2ccccc2O[C@@H](C)C#N)nc1-c1ccc(Cl)cc1 780666945 DHRVHXOPTPCEGF-KBPBESRZSA-N 440.956 5.946 30 20 IKED C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)Nc1ccccc1O[C@H](C)C#N 780666988 DOWDBNCJKBTLQI-GOHWNWGWSA-N 425.532 5.588 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 782514791 WEHKNBAASUQKAM-UQBPGWFLSA-N 438.531 5.467 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2cccc(CC(F)(F)F)c2)cc1 784993159 PBZSVOJUEDWPNQ-NRFANRHFSA-N 437.421 5.024 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)c1nc2cc(C(F)(F)F)ccc2s1 786321642 GSKAHEFNHUEHPK-GMTAPVOTSA-N 426.872 6.010 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)OCc2cc(Br)cc(C#N)c2)s1 790860222 QBIVYMVWKPSCKP-UHFFFAOYSA-N 433.352 5.100 30 20 IKED Cc1c(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)sc2ccc(C#N)cc12 796615881 UULSNHCVHMTHTO-CQSZACIVSA-N 449.557 5.271 30 20 IKED N#CC[C@@H](CC(=O)OCc1nc(O)c2c(-c3ccccc3)csc2n1)c1ccccc1 796744515 NTVYLYMKVXBDEB-SFHVURJKSA-N 429.501 5.195 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797566882 BMPLDGYNKVZDCU-HNNXBMFYSA-N 430.936 5.276 30 20 IKED CC(C)C(=O)c1ccc([C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 802059352 VOIYPGNTGBXOGQ-RHSMWYFYSA-N 438.499 5.907 30 20 IKED COc1ccccc1O[C@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 806200523 GGLAXZOZZWYPGB-BJKOFHAPSA-N 441.531 5.426 30 20 IKED COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3cc4c(C)nn(C)c4s3)c2)cc1 806579132 WUCGPRSGVISLSG-KPKJPENVSA-N 431.517 5.100 30 20 IKED N#C[C@@H]1C(CN[C@H](c2c(Cl)cccc2Cl)C2CC2)=CC(=O)n2c1nc1ccccc12 810023303 IHVGJFAXWWIVTO-QRQCRPRQSA-N 437.330 5.271 30 20 IKED N#C[C@@H](C(=O)CSCc1ccc(Br)cc1F)c1cc(C(F)(F)F)ccn1 813212608 DGVRIKIWVZVJGP-CYBMUJFWSA-N 447.251 5.112 30 20 IKED CN(CCC#N)c1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 814287532 HRMJQPATQFXYPP-PDGQHHTCSA-N 447.507 5.461 30 20 IKED CC(=O)Nc1ccc(NC(=S)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 916026351 ZHUQZOZZHRZSKR-UHFFFAOYSA-N 430.533 5.099 30 20 IKED CC(C)(C)c1nnc(S)n1N=Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 916308879 WXLSIPNFGWXLCN-UHFFFAOYSA-N 448.379 5.306 30 20 IKED COc1cc(C=Nn2c(S)nnc2-c2ccccc2C)ccc1OCc1ccccc1 916341926 PKPKPFRRFWQPPS-UHFFFAOYSA-N 430.533 5.012 30 20 IKED Cc1csc([C@H](C#N)C(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)n1 916844221 YQPFWWXKXORDLW-IEBWSBKVSA-N 427.323 5.211 30 20 IKED N#C[C@H](C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2ccccc2n1 916848693 NGZPKZZNKUKTNO-JZLODUJNSA-N 434.339 6.162 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc2c(s1)-c1ccccc1CC2 916900061 MCTXWWNGHQKVCW-OAQYLSRUSA-N 428.557 5.600 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc(Cl)cc(Cl)c1 916905098 MIUGJCXPQVVGGT-GOSISDBHSA-N 425.271 5.747 30 20 IKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COC(=O)CCC(C)(F)F)c2C#N)C1 919294149 TUDGZUOPCFHWJD-CYBMUJFWSA-N 426.529 5.078 30 20 IKED N#C[C@@H](C(=O)CCCCc1ccc(Br)cc1)c1nc(-c2ccncc2)cs1 920268167 MMLKMCPJBPVORO-SFHVURJKSA-N 440.366 5.557 30 20 IKED N#Cc1ccccc1Sc1ccc(NC(=O)CCCc2ccc3nc(O)[nH]c3c2)cc1 1640748895 KXTSKNTVIRQCNP-UHFFFAOYSA-N 428.517 5.253 30 20 IKED CC(C)[C@H](C(=O)NC1(c2ccc(NC(=O)CCC#N)cc2)CCC1)c1ccc(Cl)cc1 1787885302 NEROEDLYIMPCBT-QHCPKHFHSA-N 437.971 5.517 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4c(C)noc4-c4ccccc4)cc3)CCC2)C1 1788670327 MFZBURVRLSVRIW-UHFFFAOYSA-N 441.531 5.364 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)COCc3ccccc3)CCC2)cc1 1789451660 QINHDNGSMJFHOF-XMMPIXPASA-N 432.564 5.106 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4c(F)cccc4F)cc3)CCC2)cc1 1790222120 SXEQTTUFQQYBRL-UHFFFAOYSA-N 445.469 5.092 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(Cl)cc(C)nc4c3)CCC2)cc1 1791587944 WHXFSNSKZPTAQH-UHFFFAOYSA-N 433.939 5.520 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C23CCC(CC2)CC3)[C@H]1c1cccnc1 1802501108 HCMLQZYBWDDIAS-CURCQILKSA-N 437.628 5.050 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cc3cc(F)ccc3Cl)C2)CC1 1806549110 LAMYIYQGPMELIO-UHFFFAOYSA-N 449.010 5.245 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](C)Cc2ccccc2)[nH]n1 1819309930 LEDVSYDPEDRNLQ-XKCSPQBFSA-N 434.584 5.049 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C)c(OC)c2)[nH]n1 1819555360 CBYSTAIESVADMB-FQEVSTJZSA-N 438.572 5.025 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)cc(F)c2F)n[nH]1 1821331466 FKQPKFWIUXTMDX-JXFKEZNVSA-N 442.510 5.071 30 20 IKED Cc1ccsc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823211025 JANVRPFQMMEIQE-OXJNMPFZSA-N 447.564 5.026 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCC3CCCC3)[nH]n2)c1 1823211868 QGNIEALGPAQVOH-WZONZLPQSA-N 447.583 5.313 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1 1824872645 KWTLMJUKHTVQTG-WOJBJXKFSA-N 428.539 5.107 30 20 IKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(C)(C)C)s2)CC1 1824958907 IYDZXAQVUWVACV-LJQANCHMSA-N 448.698 5.198 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)CC1 1828606665 MUKQKROCWHVBTQ-LAUBAEHRSA-N 442.600 5.486 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccsc2)CC1 1828822106 WXQTWYJQMSULRQ-LZTDBUPCSA-N 426.626 5.149 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(C)cc2C)cc1 10169003 BVYFAMNQMJHUAF-UHFFFAOYSA-O 437.654 6.273 30 20 IKED Cc1cc(C)cc(N/C(S)=C(\C(=O)c2cc(C)n(C)c2C)[n+]2ccc(C(C)(C)C)cc2)c1 10172570 VOAAPKVVSKHMDX-UHFFFAOYSA-O 448.656 5.895 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)sc1C)=C(/S)Nc1ccc(F)c(Cl)c1 10762064 MDZNVYONZIPWHJ-UHFFFAOYSA-O 448.008 6.058 30 20 IKED N#CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 20042300 SZVPCFOASTVRSZ-UHFFFAOYSA-N 437.528 5.002 30 20 IKED C[C@@H](Sc1ncnc2cc(-c3ccc(F)cc3)sc12)C(=O)NC1(C#N)CCCCC1 23939596 ZATFAIFUAQKNCX-CQSZACIVSA-N 440.569 5.321 30 20 IKED N#C[C@@H](C(=O)c1ccc(Br)s1)c1nc(-c2c(F)cccc2F)cs1 64714945 UEOUBHGLAPPLNK-QMMMGPOBSA-N 425.279 5.402 30 20 IKED CN(Cc1cccc(C#N)c1)Cn1nc(-c2ccncc2)n(-c2ccc(Cl)cc2)c1=S 97220553 RKGCDAQQHYWPMN-UHFFFAOYSA-N 446.967 5.080 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)o1 108169474 MSYKCXVUFVEFHU-UHFFFAOYSA-N 441.462 5.280 30 20 IKED Cc1c(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cnn1-c1ccccc1F 108734469 CQGGDHLGZNIIRT-UHFFFAOYSA-N 442.469 5.173 30 20 IKED O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCC#Cc1cccc(C(F)(F)F)c1 247752567 BJFUWCMLXDSPLN-UHFFFAOYSA-N 432.829 5.114 30 20 IKED COc1ccccc1[C@H](Nc1c(C#N)cnc2ccc(OC(F)F)cc12)c1ccccn1 301875704 MTVNEZZLYVMZRG-QHCPKHFHSA-N 432.430 5.313 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)Nc3cc(C4CCCCCC4)[nH]n3)cc2)cc1 426466297 FEXNYSFJGXOCEA-UHFFFAOYSA-N 443.507 5.089 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccc(-n2ccc(C(=O)OCC)n2)c1 432588836 QRYAQZWYMJMAAB-UHFFFAOYSA-N 446.551 5.223 30 20 IKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N[C@@H](CCCC#N)c1ccccc1 432653612 BQWANIPJEZYRDA-QHCPKHFHSA-N 426.520 5.804 30 20 IKED CC(C)Oc1ccc(NC(=O)N(C)[C@@H](c2ccncc2)c2ccc(Cl)cc2)cc1C#N 435544571 FGNPMGVRWMAXKS-HSZRJFAPSA-N 434.927 5.647 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 437615521 PJGRVRBTGFIELB-QUCCMNQESA-N 439.441 5.195 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCc2nc3c(C)cccc3o2)cc1 438191059 PMOWUACFXSGEHI-UHFFFAOYSA-N 442.475 5.173 30 20 IKED CCn1c([C@@H]2CCCN2C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)nc2ccccc21 438653886 SMQXZQJJKICPCD-IBGZPJMESA-N 427.430 5.316 30 20 IKED N#CCC[C@@H](NC(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccccc1 438849560 RZOAERMCWFUEJH-JOCHJYFZSA-N 444.501 5.014 30 20 IKED CC[C@H](C)[C@@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1 442159788 ZWGJIVIAEWTIQA-VWKPWSFCSA-N 444.000 5.434 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1nc2ccccc2s1 442615751 KCEJCWSPTSVHCN-LLVKDONJSA-N 441.299 5.675 30 20 IKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)c12 443890513 ANHGHYBCTMGIPN-UHFFFAOYSA-N 441.438 5.148 30 20 IKED Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 446874722 FWQALLWLYUYQBG-NRFANRHFSA-N 431.458 5.113 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)Cc2csc(-c3ccccn3)n2)c1 460340910 VMAZBRZESFFISB-UHFFFAOYSA-N 444.947 5.506 30 20 IKED COc1ccc(-c2ccc(CNC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cc2)cc1 460597642 KWKSHNURKLAGLL-UHFFFAOYSA-N 435.483 5.351 30 20 IKED CC[C@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1nc(C(F)(F)F)cs1 467702472 JAGQBUXKBAROCU-KRWDZBQOSA-N 430.455 5.230 30 20 IKED C[C@H](Oc1cnc2ccccc2c1)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 470888163 JFGXZPUYEOVCBJ-AWEZNQCLSA-N 445.466 5.665 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2COc3ccc(Cl)cc32)cc1 474736279 BUFAMOPQSAISPT-JOCHJYFZSA-N 433.895 5.240 30 20 IKED CCCOc1ccccc1Oc1ncccc1CNC(=O)c1ccc(C(C)(C)C#N)cc1 474970856 MOZWNEKCTUZSAR-UHFFFAOYSA-N 429.520 5.394 30 20 IKED C=C(C)[C@@H](NCc1ccc(OCc2c(C)noc2C)c(OC)c1)c1ccc(F)c(F)c1 479418480 UNINVEODJJUCDQ-XMMPIXPASA-N 428.479 5.564 30 20 IKED CCOc1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OC 481377161 IDYKHOAMMBHLHV-UHFFFAOYSA-N 432.545 5.188 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cc(-c4ccccc4)on3)cc2F)c1 481596624 LGSJZVZSWCYFPA-UHFFFAOYSA-N 442.450 5.253 30 20 IKED Cc1c([C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C(C)C)oc2ccccc12 483274897 BFBAPFKLFIOBKA-OAQYLSRUSA-N 435.549 5.199 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N(CC(F)(F)F)c2ccc(Br)cc2)cc1 483604954 JLXXDRCWWJWILV-UHFFFAOYSA-N 425.248 5.459 30 20 IKED C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H](CCCC#N)c1ccccc1 487221018 QNIGYZMOEJCIRV-KDOFPFPSSA-N 435.749 5.421 30 20 IKED COC[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(Cl)cc1 488379084 YNMMKMXJJYQWQK-DEOSSOPVSA-N 449.938 5.494 30 20 IKED C[C@H](Sc1nc(C(F)(F)F)ccc1C#N)c1nnc(-c2ccc(Cl)cc2Cl)o1 488747612 AGYCPAVAWZLUTF-QMMMGPOBSA-N 445.253 6.182 30 20 IKED C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1noc(Cc2ccccc2)n1 489925644 ANNWQLCGTDGFMB-QGZVFWFLSA-N 440.528 5.174 30 20 IKED Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1[N+](=O)[O-] 493265226 XTRCXACPHZBWSI-GOSISDBHSA-N 444.491 5.431 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N(Cc2ccncc2)Cc2cccnc2)cc1 498562961 XSUDZTUXCICSAU-UHFFFAOYSA-N 438.462 5.122 30 20 IKED Cc1c(C(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)sc2ccc(C#N)cc12 498882565 YZJZWKQJBRNWQV-SFHVURJKSA-N 430.451 5.314 30 20 IKED CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C(C)C)cc1 501678995 CNBGLKGWVYEBHW-QFIPXVFZSA-N 446.576 5.257 30 20 IKED O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1cccc(COCC(F)(F)C(F)F)c1 502093902 OPZKJRUSGCDNPT-UHFFFAOYSA-N 439.327 5.183 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3ccc(C)cc3OC)nc2)cc1 502250117 FHYODXMRPCBOEW-UHFFFAOYSA-N 447.495 5.142 30 20 IKED Cc1cc(F)cc([C@]2(F)CCN(CC(=O)Nc3ccccc3S[C@H](C)CC#N)C2)c1 502930088 HVYSTWSMPKFWGU-HXOBKFHXSA-N 429.536 5.038 30 20 IKED C=CCCc1ccccc1NC(=O)C(=O)N(C)[C@@H](c1ccncc1)c1ccc(Cl)cc1 504455695 LPZCPHWHQBBGCZ-HSZRJFAPSA-N 433.939 5.040 30 20 IKED COc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc4ccccc4o3)c3ccccc3n2)cc1OC 505457380 KPRLRSWXUSDJEC-IBGZPJMESA-N 449.466 5.550 30 20 IKED N#C[C@H](NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)c1ccc(Cl)c(Cl)c1 505966300 PHOOEUUZZBQCMY-SCGKYVAGSA-N 431.285 5.823 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](COc2ccccc2)C1 506937611 AFGNNQRSPQUYFQ-QHCPKHFHSA-N 441.531 5.379 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCCC2(CCOCC2)C1 508465756 RJNXCKOGUXQKKR-FQEVSTJZSA-N 432.568 5.154 30 20 IKED C[C@@H]1c2cccc(Br)c2CCN1C(=O)CCCCOc1cccc(C#N)c1 509932779 UZWZNNCETMKDOJ-MRXNPFEDSA-N 427.342 5.016 30 20 IKED CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)Nc1nc(C)c(SCC#N)s1 510453342 ARFUDYYXSAVZBV-UHFFFAOYSA-N 442.532 5.575 30 20 IKED CC(C)Sc1ccc([C@H](C)NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1 511175985 ULVWEDHNOIDBBT-KRWDZBQOSA-N 425.573 5.292 30 20 IKED Cc1cc(N(CCC#N)C(=O)CN[C@H](c2c[nH]c3ccccc23)C(F)(F)F)ccc1Cl 513162437 YELQBAOKIRPRQO-OAQYLSRUSA-N 448.876 5.270 30 20 IKED Cc1csc(N(CC(F)(F)F)C(=O)c2cccc(COc3ccccc3C#N)c2)n1 513486106 UZWBJJASAYHLTD-UHFFFAOYSA-N 431.439 5.111 30 20 IKED N#Cc1c(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)sc2c1CCCCC2 514486995 CGWLAFBKOMUTQF-UHFFFAOYSA-N 448.514 5.158 30 20 IKED CCOc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cs2)cc1 515539293 SNOUTYUCZZITEX-HNNXBMFYSA-N 439.949 5.962 30 20 IKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 515699124 LSTFGXHLIRNYBP-UHFFFAOYSA-N 447.343 5.439 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 518222042 VYCMGQOKQIYUBK-FQEVSTJZSA-N 429.442 5.937 30 20 IKED N#Cc1cccc(OCCCCC(=O)NC2(c3ccc(Br)cc3)CCC2)c1 518391622 HLTLVOKJLRZVRI-UHFFFAOYSA-N 427.342 5.065 30 20 IKED C[C@@H](Nc1cccc(OCC(F)(F)F)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 519163512 RIXGIIYVOALCAC-CYBMUJFWSA-N 437.487 5.269 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1Cl 519386717 PIZMRVFVANROIX-OAQYLSRUSA-N 444.878 5.497 30 20 IKED Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 519426043 FFMAFDOEAGKANI-MRXNPFEDSA-N 435.549 5.303 30 20 IKED Cc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc([N+](=O)[O-])c1 519942662 AQNNRLCKYIAKGR-UHFFFAOYSA-N 446.410 5.093 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cnn1-c1cccc(Br)c1 520699383 NCOUFXBXUCRTRC-OAHLLOKOSA-N 437.322 5.043 30 20 IKED N#CCCn1ccc(NC(=O)[C@@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)n1 522726287 UJFFHDWDPWQRJP-IBGZPJMESA-N 431.348 5.576 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1 523697155 IPHDVMQRLDWFAF-FPOVZHCZSA-N 443.469 5.197 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCCCc2nc3ccccc3[nH]2)c1 523946907 OCSMDBSVFUJFHO-UHFFFAOYSA-N 430.895 5.243 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(Cl)c3Oc3cccnc3)o2)cc1 524380340 AAPBREFROWWCHX-UHFFFAOYSA-N 445.862 5.823 30 20 IKED Cc1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C(C)C)n1 524473084 IAWNLDBQWXUJNB-CQSZACIVSA-N 431.348 5.829 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc4nc([C@@H]5CCCO5)[nH]c4c3)c2)cc1 524505485 DQCLJBRDRRDEAF-DEOSSOPVSA-N 438.487 5.117 30 20 IKED N#Cc1cccc(COc2cccc(CNCCc3nc(-c4ccc(Cl)cc4)no3)c2)c1 524687805 DELUWBOOACDZMK-UHFFFAOYSA-N 444.922 5.173 30 20 IKED N#CCc1ccnc(NC(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)c1 531928572 NPEZMNWTDAASTA-UHFFFAOYSA-N 440.290 5.351 30 20 IKED CCc1ccccc1N(C(C)=O)c1nc(CN(CC)[C@@H](C)c2ccc(C#N)cc2)cs1 534486886 LRSGXPVTRBIMCF-SFHVURJKSA-N 432.593 5.845 30 20 IKED COc1ccccc1[C@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccccn1 534838216 DCXGNIYZCGCKSU-MHZLTWQESA-N 449.510 5.060 30 20 IKED Cc1nc(-c2cc3c(s2)CCN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C3)cs1 537880683 DVRPOXXKVPZFMF-UHFFFAOYSA-N 438.578 5.429 30 20 IKED Cc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)nn1-c1ccc(F)cc1 539631898 WARQCFNKIBAYPC-UHFFFAOYSA-N 440.478 5.217 30 20 IKED FC(F)(F)c1cc([C@H](NCc2nc(C3CC3)no2)C(F)(F)F)cc(C(F)(F)F)c1 542122385 BCKBCRUDOBAETM-LBPRGKRZSA-N 433.274 5.378 30 20 IKED Cc1nccc(NCc2cccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)c2)n1 542606570 DOYQVSIQBYNXJP-UHFFFAOYSA-N 449.514 5.100 30 20 IKED COc1ccc(C(=O)CCC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC 542989224 NJNQVBZXDDEHOA-GOSISDBHSA-N 442.515 5.083 30 20 IKED Cc1ccc(C2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)cn1 543966727 HCRDVVKLHPGZRE-XMMPIXPASA-N 444.966 6.110 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 544524952 UFCNYGKGEPGYRY-PIPMEXSNSA-N 441.572 5.011 30 20 IKED Cc1nn(CCC#N)c(C)c1CCc1nc(-c2ccc(Oc3ccc(F)c(F)c3)cc2)no1 545096559 BRIDYBPNALJIBC-UHFFFAOYSA-N 449.461 5.319 30 20 IKED C[C@H]1Sc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2NC1=O 548927253 IFRLURDHKLQUHA-IAQYHMDHSA-N 439.949 5.386 30 20 IKED CCOc1cc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1C 551469913 WHEBRSDBHYQULE-NRFANRHFSA-N 447.922 5.280 30 20 IKED CCCOc1ccc(-c2nc(C(=O)N(CCC#N)c3ccc(OCC)cc3)cs2)cc1 553500665 ZEUPUXFDMXGKJN-UHFFFAOYSA-N 435.549 5.558 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)Cc1nc(O)c2c(-c3ccccc3)csc2n1 558072287 MQJKFQMQNIFOCT-UHFFFAOYSA-N 428.561 5.594 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 562164357 LKYJOOGHOQVUMD-NLFFAJNJSA-N 434.609 5.068 30 20 IKED C=C(C)Cn1c(SCc2nc(-c3cccc(OC(C)C)c3)no2)nnc1-c1ccco1 565984386 VNSKWOHSKPULAJ-UHFFFAOYSA-N 437.525 5.244 30 20 IKED N#Cc1cc(Br)ccc1CSc1nnc(C2CC2)n1Cc1ccccc1 584401726 CHEMDMHMWOCEAF-UHFFFAOYSA-N 425.355 5.130 30 20 IKED N#CCn1c(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc2ccccc21 591862303 OCWDWIPSCIFZNY-JUZOYQPNSA-N 440.572 5.579 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cc(C2CC2)nc2onc(C)c12 603533254 XJYLTGAGHIFDJE-UHFFFAOYSA-N 440.478 5.575 30 20 IKED CCN(C[C@@H](C)C#N)C(=O)CSc1nnc(SCc2ccc(C(C)C)cc2)s1 603904845 RGUKRGBJCORXLF-HNNXBMFYSA-N 434.656 5.054 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cc3ccccc3s2)cc1 604443981 INKFRRBBJGPXCD-UHFFFAOYSA-N 427.529 5.868 30 20 IKED COc1ccc2c(c1)OC[C@H](C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)C2 604510929 PSUOWDJURZWZHD-GCJKJVERSA-N 432.907 5.194 30 20 IKED CC(C)CCc1ccccc1NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 604534103 AFQGLIOBZSVIQQ-UHFFFAOYSA-N 427.552 5.049 30 20 IKED N#CCCCOc1cccnc1NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 608882653 ZWSKQBWLEMCNQT-UHFFFAOYSA-N 446.454 5.088 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)(C)C 608898772 CYVOFQHAXRIYAK-FQEVSTJZSA-N 433.474 5.131 30 20 IKED CCOc1ccc(Br)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 609065866 YHOALONPEYIHKC-UHFFFAOYSA-N 441.281 5.144 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(N3CCCC3)c(F)c2)cc1 609298735 NIZBXTATQOBIKF-UHFFFAOYSA-N 431.467 5.351 30 20 IKED N#C[C@@H](C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1nc2cc(F)ccc2s1 609321544 GCEFEESPDRGENO-KRWDZBQOSA-N 446.463 5.446 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2)cc1 609987261 NZMHADILZPFVRE-HZPDHXFCSA-N 441.375 5.505 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 615714249 KDDAQGSQXHGQNW-HXUWFJFHSA-N 431.536 5.128 30 20 IKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccccc1Oc1ccccc1Cl 616847144 MFPAMDMRVBSSQG-UHFFFAOYSA-N 426.925 5.347 30 20 IKED N#Cc1ccc(CNCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1Cl 619749120 NJRVISHDBFUKKN-UHFFFAOYSA-N 444.749 6.061 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H](C(F)(F)F)C4(CCC4)C3)cn2)c1 619786444 AUQXHYWSRXACPC-SFHVURJKSA-N 430.430 5.332 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(SCc3csc(C)n3)cc2)cc1 626591294 VEFNTCSVHGDIDU-UHFFFAOYSA-N 438.578 5.304 30 20 IKED N#C[C@@H](C(=O)c1coc(-c2ccc(Br)cc2F)n1)c1ccc2ccccc2n1 679368310 JHSXYCODHYSEEW-OAHLLOKOSA-N 436.240 5.281 30 20 IKED C[C@H](NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2)C(F)(F)F 685240647 RNVVNZUVABAFCB-OOPMTRAQSA-N 425.335 5.176 30 20 IKED CCN(CC)c1ccc(C=Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)c(O)c1 726427654 SDICKWRBILOGHA-UHFFFAOYSA-N 438.549 5.185 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=S)NCc2cccc(C(F)(F)F)c2)cc1 726461754 XOWGOSGGNPYTGJ-NRFANRHFSA-N 425.479 5.847 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)/C=C/c1ccccc1Cl 727355422 RGRNFGFGDXVSHL-ZRDIBKRKSA-N 425.897 5.120 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)cc1 727589062 GUBBGWREZCQPCH-BJKOFHAPSA-N 439.515 5.482 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc(CN3CCCCC3=O)cc2)c1 728181767 AYUOLKISHIQPFV-UHFFFAOYSA-N 428.557 5.089 30 20 IKED O=C(/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(O)c(F)c1 728438766 NLBZRZPXLZRZGQ-YWEYNIOJSA-N 430.262 5.987 30 20 IKED CSc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 728669315 OAUXPCWUYMTYDY-MRXNPFEDSA-N 432.501 5.256 30 20 IKED N#C[C@@H](C(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1nc(-c2c(F)cccc2F)cs1 728769243 ROVIZJSQTBWYMH-KBPBESRZSA-N 436.405 6.001 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)cc1 729176661 KSDDPGXTEKIORH-IBGZPJMESA-N 443.400 5.269 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3ccc(N4CCCCC4=O)cc3)c2)cc1 729570839 LJYRGIDPVRQGOQ-UHFFFAOYSA-N 440.503 5.189 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)cc1 729789559 HMAJODJZMJWGGK-DQEYMECFSA-N 441.506 5.077 30 20 IKED CN(CCc1ccc(Br)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 730379000 CDVVNFIFEQWSIP-HSZRJFAPSA-N 448.364 5.811 30 20 IKED COc1cc(C#N)cc(Cl)c1OC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 730453428 QZLPGSQTTZKVPE-UHFFFAOYSA-N 440.830 5.387 30 20 IKED COc1cc(C(=O)/C=C/c2ccc(OCc3occc3C(=O)O)cc2)ccc1OC(F)F 730952504 XXSIQCCQDDKNPN-XBXARRHUSA-N 444.386 5.063 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccccc1C(F)(F)F 731029921 KBWFVZZHMHXFMS-OXJNMPFZSA-N 447.526 5.875 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1sccc1-c1ccccc1 731064065 PYZGSZAAOVXIRI-MRXNPFEDSA-N 436.558 5.605 30 20 IKED C=CCN(CC1CCCCC1)C(=O)/C=C\c1ccc(OCc2c(C)noc2C)c(OC)c1 732644447 TZFXFOMGEVVRBZ-OWBHPGMISA-N 438.568 5.487 30 20 IKED COc1cc(C(C)=NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)ccc1SC 733080268 IISWBPXMXANRKC-UHFFFAOYSA-N 433.459 5.124 30 20 IKED CCOC(=O)c1oc2c(c1C)C(=O)/C(=C\c1csc(-c3cccc([N+](=O)[O-])c3)n1)CC2 733083588 MNODPCKPWZNLEG-LCYFTJDESA-N 438.461 5.009 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2csc(-c3ccc(Cl)s3)n2)ccc1OC 733231979 LZJBXEXCYSZQCA-ZDUSSCGKSA-N 447.969 5.145 30 20 IKED C=C(Br)CNC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 733637900 IHPORDLLEDQUQA-UHFFFAOYSA-N 434.187 5.062 30 20 IKED C#CCOc1ccccc1CNC(=O)c1ccccc1CSc1nc2ccccc2o1 734104632 QGNBGHDBRKABQF-UHFFFAOYSA-N 428.513 5.062 30 20 IKED COc1cc(C[S@@](=O)Cc2ccc(Cl)s2)ccc1OCc1cccc(C#N)c1 735167836 ALXOTOOOILCVQA-MUUNZHRXSA-N 431.966 5.310 30 20 IKED O=C(Nc1cccc(Cl)c1SC(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 735364985 FTRNCPIPVMRIHX-UHFFFAOYSA-N 442.759 6.003 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 737841150 JRSHNTTVBFDVSQ-SFHVURJKSA-N 448.567 5.067 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cccc(-c3ccncc3)c2)cs1 741469015 IVSKKKNFFYGMAG-YFHOEESVSA-N 443.503 5.925 30 20 IKED N#C[C@@H](C(=O)Cc1ccc(NC(=O)C2CC2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 744035368 QSGHFWVAIIDHHX-IBGZPJMESA-N 435.936 5.231 30 20 IKED O=C(/C=C\c1ccc(-c2cccc(Br)c2)o1)c1ccc(N2CCOC2=O)cc1 748584776 VNVPPVQGTMBCNG-NTMALXAHSA-N 438.277 5.562 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)NCc2ccc(OCC#N)cc2)nc1-c1ccccc1 748632959 URTLRXWZYQDLKP-JOCHJYFZSA-N 444.535 5.414 30 20 IKED COc1cccc(Nc2nn(CN3CCC[C@H]3[C@H](C#N)c3ccccc3)c(=S)s2)c1 751933413 VDQPIKGZEBQQGF-UXHICEINSA-N 437.594 5.156 30 20 IKED Cc1onc(-c2ccccc2)c1-c1nnc(CON=C(c2ccccc2)C(F)(F)F)o1 751956057 NCFBMFQWNZVIPG-UHFFFAOYSA-N 428.370 5.183 30 20 IKED COC(=O)[C@H](Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1)c1ccc(C#N)cc1 752798205 ADIGKHNWBGSPGM-JOCHJYFZSA-N 444.878 5.273 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1cc(Cl)sc1Cl)C(=O)Nc1cccc2ccccc12 756233732 OTTOSGIVSSOGMH-OAHLLOKOSA-N 445.327 5.519 30 20 IKED Cn1c(CNCc2cccc(-c3ccc(C#N)s3)c2)nc2cc(C(F)(F)F)ccc21 760676672 APOVZYICRKZRDE-UHFFFAOYSA-N 426.467 5.482 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1 760800781 MEVCOQQBRPXJMA-OAQYLSRUSA-N 428.435 5.478 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 761664416 TWAKPPMNPCQGOQ-UHFFFAOYSA-N 427.382 5.120 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc3ccccc3s2)n(Cc2ccccc2)c1C 762003083 OKCREUSJVZUFFT-UHFFFAOYSA-N 443.528 5.035 30 20 IKED N#Cc1ccc(NC(=S)Nc2cc(Br)ccc2N2CCCC2)cc1Cl 763165115 QKSPZFFFYDEPDJ-UHFFFAOYSA-N 435.778 5.383 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(O)(c2ccccc2Cl)CC1 765072086 ZPFIJPSDDQEZOF-UHFFFAOYSA-N 439.861 5.047 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCC1 770444124 GARQBZXRJRTUFE-QFBILLFUSA-N 446.617 5.143 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)ccc1NC(=O)OC(C)(C)C 772554726 QLYOUGCMSWWFMY-SFHVURJKSA-N 433.533 5.956 30 20 IKED N#C[C@H](C(=O)/C=C/c1ccc(Cl)nc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 772639089 HBVNBVYFBJWCKN-ARUMEGIESA-N 434.735 6.055 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H](c2ccc(Br)cc2)C2CC2)ccc1OC 774450920 WDRDNYJGQDFCEN-DENIHFKCSA-N 429.358 5.380 30 20 IKED N#Cc1ccccc1/C=C\C(=O)OCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 775064628 SVIMDXZQBPJYMP-WAYWQWQTSA-N 444.101 5.367 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(-n2cnc3ccccc32)cc1 778297964 NEFFIOUUHQDKSJ-JOCHJYFZSA-N 430.467 5.140 30 20 IKED CCN(CC)[C@@H](C(=O)[C@@H](C#N)c1ccc2ccccc2n1)c1cccc(C(F)(F)F)c1 780304061 ZSBRLJUSKCIZIG-SIKLNZKXSA-N 425.454 5.513 30 20 IKED CSCc1nc2ccccc2n1CC(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 780312971 NQWMIFXDYIVYBU-QGZVFWFLSA-N 432.574 5.208 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CCCN1c1nccs1)c1nc(-c2ccc(Cl)cc2Cl)cs1 783069194 GEHBERLLICXYBU-BBRMVZONSA-N 449.388 5.419 30 20 IKED CC(C)N(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 783296525 DDMQTYPNHUIFJC-DEOSSOPVSA-N 445.950 5.371 30 20 IKED CCCc1c(NC(=S)Nc2cccc(C(F)(F)F)c2)cnn1-c1cccc(C#N)c1 783953414 VWIFGKOQOGRLFR-UHFFFAOYSA-N 429.471 5.524 30 20 IKED CC[C@H](NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccccc1 787033431 HGLJKRFLIAJGOE-RPBOFIJWSA-N 437.499 5.135 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)N[C@H](CC)c3ccccc3)s2)cc1 787041324 YIAYVMRJDMLGRF-NHCUHLMSSA-N 447.560 5.107 30 20 IKED Cc1oc(-c2cccs2)nc1C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 787047856 DJKJYEHUQVOKNU-IINYFYTJSA-N 448.331 5.218 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1 789343629 MRJTXJOLGWJHQN-HNNXBMFYSA-N 442.393 5.325 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 794672064 ZSVLELLNVBISFJ-YZYNAAERSA-N 445.588 5.084 30 20 IKED N#CC1(CCCOC(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)CCOCC1 800167462 KNZOSWWGDOPBSB-UHFFFAOYSA-N 427.928 5.105 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 806269309 IEHMIAQDTVYUCY-UHFFFAOYSA-N 440.935 5.310 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(CCCCF)C2=O)c1 812220989 BQXVUHAZLBBOAI-FQEVSTJZSA-N 427.545 5.013 30 20 IKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)SC1=NC(=O)/C(=C\c2csc3ccccc23)S1 814772479 BPEFOWMAJVOUMU-LMBSCAIRSA-N 443.619 5.048 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2cccs2)C(=O)N[C@H]1c1cccc(C#N)c1 840198259 CDBIKGNPWFTVCG-QFIPXVFZSA-N 431.492 5.026 30 20 IKED N#Cc1ccc(OCCCSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 915793806 KLUAHTAIYRCULH-UHFFFAOYSA-N 436.320 5.388 30 20 IKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C(F)(F)F)c3)N(C3CC3)C2=O)cc1 916217065 DDSUOQLSTKOAAY-SFHVURJKSA-N 447.482 5.137 30 20 IKED COc1ccc(N(C(C)=O)c2nc(C=NNc3ccc(Cl)c(Cl)c3)cs2)cc1 916249818 MDPHGNFLYWFAPU-UHFFFAOYSA-N 435.336 5.589 30 20 IKED CC(C)Cn1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c2ccccc21 916887933 PTUQZEYRYPCWLV-GOSISDBHSA-N 441.503 5.573 30 20 IKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2F)o1)C(=O)Nc1ccc(Cl)cc1Cl 916928717 RRDGODNQKXSDIL-CQSZACIVSA-N 446.265 5.068 30 20 IKED CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 917119647 RAYPYSPMBBNHGF-OSPHWJPCSA-N 429.545 5.420 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cc(Cl)ccc2Cl)cs1 917562179 UHOYDXZFWQOWCL-POHAHGRESA-N 431.344 6.339 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)cc1OC 918641033 BKZCVQVYTYWWOZ-OAHLLOKOSA-N 438.376 5.798 30 20 IKED FC(F)(F)c1nc(NN=Cc2csc(COc3ccccc3)n2)c2ccccc2n1 918711615 SWWRWAWYCQJDBV-UHFFFAOYSA-N 429.427 5.130 30 20 IKED C[C@@H](OC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1)C(=O)Nc1sc2c(c1C#N)CCC2 919204831 KEGRPIOWVZRHSB-SECBINFHSA-N 448.331 5.081 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)CCCc1ccc(Cl)c(Cl)c1 919488001 DVJPQUYXPOJQLI-UHFFFAOYSA-N 425.699 5.023 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 920102418 CXCVKRBWVXNNBS-CJNGLKHVSA-N 436.924 5.369 30 20 IKED Cc1ccc(-c2cnc(CCC(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)o2)cc1 920142926 XPPJJHNNOSPVMZ-HXUWFJFHSA-N 438.512 5.454 30 20 IKED N#C[C@@H](C(=O)COCc1nc2ccccc2s1)c1nc(-c2c(F)cccc2F)cs1 920804755 YQWQEZDCTQDFCI-LBPRGKRZSA-N 441.484 5.091 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(C(F)(F)F)cnc2O)cc1Cl 1464141530 HIOJJLKRPSGXJK-KRWDZBQOSA-N 431.801 5.367 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Nc3ccccn3)CCC2)cc1 1785842514 FHTOBTZZMABHGH-IBGZPJMESA-N 434.584 5.009 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cccc(Cl)c3OC)CCC2)cc1 1786680181 PMGDFJAJEWBTHM-UHFFFAOYSA-N 444.984 5.016 30 20 IKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)/C=C/c4cccs4)cc3)CCC2)cc1 1788160397 AOIPRNASMIHPCR-OUKQBFOZSA-N 441.556 5.010 30 20 IKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)cn1C 1788799332 HOQZTQXXUOAHCX-GOSISDBHSA-N 440.547 5.022 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)cc3F)CCC2)cc1 1790563666 HMVGVVFEUZFECA-OAHLLOKOSA-N 445.922 5.028 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@H](C)c2ccccc2)[nH]n1 1814830077 OAPKHBJTUDFCKM-WMZHIEFXSA-N 434.584 5.364 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](CC)c2ccccc2)n[nH]1 1816737774 ZMYSCRGOWVKDEQ-XPNTWCBSSA-N 434.584 5.364 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3sccc3[nH]2)[nH]n1 1819554838 QTEBRSSZFUBTQF-GOSISDBHSA-N 439.585 5.251 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)c2cccs2)n[nH]1 1822705233 GQLINYDOAWDDHB-AEFFLSMTSA-N 428.602 5.259 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccccc3o2)CC1 1824142369 QOCMNOLRRYVZTB-QHCPKHFHSA-N 434.580 5.435 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)c(C)c2)CC1 1828827532 OTDQBLQJMCCKGM-VWNXMTODSA-N 426.576 5.136 30 20 IKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)CC1 1832700201 PRRPBNNMNZXWMD-SANMLTNESA-N 428.576 5.000 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccccc2CC)cc1 10173581 RDPASJKDDGRZQH-UHFFFAOYSA-O 429.609 5.639 30 20 IKED N#Cc1ccc(CSc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)c(F)c1 10616266 RVFMCACYSXWSDO-UHFFFAOYSA-N 444.491 5.025 30 20 IKED C=CCn1c(SCc2ccc(C(=O)Nc3ccccc3)cc2)nnc1-c1ccncc1 11382131 AZXOSFOEORXYIW-UHFFFAOYSA-N 427.533 5.071 30 20 IKED O/C(=N\c1nnc(SCc2ccccc2)s1)c1c[nH]c(=S)n1-c1ccccc1 21954588 XQDOAXNPGBKJGI-UHFFFAOYSA-N 425.564 5.315 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C1CC1 26754599 MPGGSVPLTFGOPE-AWEZNQCLSA-N 430.624 5.098 30 20 IKED C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2F)nnc1-c1ccc(Cl)cc1 36849824 SHPCNRWAGYXDHC-UHFFFAOYSA-N 437.327 5.308 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2c(F)cc(F)cc2F)cc1Cl 60437014 QGFLJODOPXDTEP-INIZCTEOSA-N 436.842 5.214 30 20 IKED N#Cc1ccc(CNC(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 60977926 QTMQYWRXABTXLU-NRFANRHFSA-N 428.923 5.324 30 20 IKED C=CCN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)Cc1cccc([N+](=O)[O-])c1 63297750 KCGMLYPXLZIHLX-UHFFFAOYSA-N 428.703 5.182 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(F)cc1I 78720106 LYMQWIQGCINNMX-NSHDSACASA-N 440.281 5.077 30 20 IKED CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1cccc(C)c1 97055987 IRBOBZABZXGAFI-IBGZPJMESA-N 433.581 5.009 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)N(CCC#N)c3ccc(OCC)cc3)s2)cc1 111018718 HCJIZEDUONMDDZ-UHFFFAOYSA-N 435.549 5.476 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)o1 117406121 YPNIDJMVABWEDF-UHFFFAOYSA-N 440.421 5.554 30 20 IKED COc1cc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)ccc1OC(C)C 303202309 OOGMEWUSBCQSPC-QHCPKHFHSA-N 430.504 5.056 30 20 IKED CN(Cc1cccc(NC(=O)c2ccccc2-c2ccccc2C#N)c1)Cc1cscn1 303494862 MGSLHIDTFKZLNU-UHFFFAOYSA-N 438.556 5.566 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)CCCC3CCOCC3)s2)c(C(F)(F)F)c1 409461564 SPRUSNIJDBZJPJ-UHFFFAOYSA-N 437.487 5.160 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCOC2(CCCCC2)C1 426117746 FQXSPPABBVXYNY-JOCHJYFZSA-N 433.552 5.449 30 20 IKED N#CCSc1cccc(C(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)c1 429941885 HQAHBVOLGZSCOU-UHFFFAOYSA-N 430.316 6.049 30 20 IKED CCn1c(SCCC(C#N)(c2ccccc2)c2ccccc2)nnc1-c1ccccn1 434650860 SHHDJDGGDPKSGW-UHFFFAOYSA-N 425.561 5.352 30 20 IKED COc1cc(NC(C)=O)ccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 435357892 XDAMDPUXCJHNRS-UHFFFAOYSA-N 435.867 5.223 30 20 IKED COc1cc(CSCCC(=O)Nc2ccccc2C)ccc1OCc1cccc(C#N)c1 437263498 SJGOJJYNVDCWTI-UHFFFAOYSA-N 446.572 5.716 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccnc2OCC(F)(F)F)cc1F 437481311 XPDPNCMFVVVUOX-UHFFFAOYSA-N 431.345 5.078 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 437512905 KLGWJSRRWIMINK-RXVVDRJESA-N 438.503 5.316 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCc3c(F)ccc(F)c3C2)cc1 438600144 NEQLZURXWVDTGB-UHFFFAOYSA-N 435.430 5.228 30 20 IKED COc1cc([C@H](C)NC(=O)N[C@H](CCC#N)c2ccccc2)ccc1OCc1ccncc1 438840520 NDMQMTIYGQZSPM-WMZHIEFXSA-N 444.535 5.074 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)cc1 439510671 HHMXUMBVUIJGPI-QMZRJTEUSA-N 449.551 5.153 30 20 IKED N#CCCN(CC1CC1)C(=O)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1 444949739 QBJRROXCBGLBSC-UHFFFAOYSA-N 426.929 5.900 30 20 IKED N#CCCn1cc(/C=C\c2nc(CC(=O)Nc3cccc4ccccc34)no2)c2ccccc21 445338990 DGYXCTMMROMDDL-YPKPFQOOSA-N 447.498 5.443 30 20 IKED CC(C)[C@@H]1C[C@@H](CNC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2ccccc21 448067347 INRCOVJEOSNAJS-RDPSFJRHSA-N 444.579 5.318 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)C2CCN(CC(F)(F)F)CC2)c1 460337705 FTAOSGAARYTXMC-UHFFFAOYSA-N 435.877 5.019 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 460380117 LIIZYOIWDILVTL-UHFFFAOYSA-N 434.547 5.092 30 20 IKED C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 464384648 PECMNVUCFCWDBX-HXUWFJFHSA-N 446.572 5.264 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(C)[C@H](c1ccc(Cl)cc1)C1CCCC1 466520038 BZACEMAHJISGJU-QHCPKHFHSA-N 425.960 5.252 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)cc1Cl 468109510 KTWVDKLIUCDWNS-XLSIIYIISA-N 434.845 5.290 30 20 IKED C[C@H](SCCOCC(F)(F)C(F)F)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 468652448 IKYFRRPYBGDBPB-QMMMGPOBSA-N 441.796 5.336 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1ccccc1F 468654888 CZVQHTQFRZMODS-INIZCTEOSA-N 435.528 5.790 30 20 IKED O[C@H](CN[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)CC(F)(F)F 469768424 KMZAYSDJQMYDEV-VHSXEESVSA-N 437.224 5.231 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 475552455 YUKSXOWIBSVDJE-OAQYLSRUSA-N 430.495 5.745 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 475556038 ZWZMJISALKFHET-QHCPKHFHSA-N 442.003 5.387 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@@H](CO)c1cccc(Br)c1 475556713 RYEIZRXMPDXCKI-FQEVSTJZSA-N 431.374 5.498 30 20 IKED Cc1csc(N(CC(F)(F)F)C(=O)c2ccc(Sc3ccccc3C#N)cc2)n1 481175785 MXCSEJBCVWDPIP-UHFFFAOYSA-N 433.480 5.684 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccccc2N2CCCCC2)cc1C 482338222 XEEQTWHVDMOGLK-UHFFFAOYSA-N 441.579 5.001 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccccc3COCc3ccccc3)c2)cc1 482985590 BOVJNCXNQSQKRV-UHFFFAOYSA-N 434.495 6.320 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCOc4cc(Cl)c(Cl)cc43)o2)cc1 484634608 DCZYJXQXUNYPQJ-UHFFFAOYSA-N 429.259 5.076 30 20 IKED C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N(CCC#N)c1ccc2c(c1)OCCO2 486212776 DYJSFXZYNSHIPF-ZDUSSCGKSA-N 437.348 5.192 30 20 IKED CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n[nH]1 486231480 MVTCPMNBTKJYPV-YZVOILCLSA-N 436.947 5.510 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)cc1F 486557610 OKGBYIYYSUEVII-NRFANRHFSA-N 444.466 5.125 30 20 IKED O=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 488430194 YBPIEWNPAYMPNT-UHFFFAOYSA-N 449.370 5.415 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3OC(F)F)o2)cc1 489795610 XQNZVAHJKVOYEM-CYBMUJFWSA-N 447.463 5.022 30 20 IKED N#C[C@H](NC(=O)CCC(=O)c1cc(Cl)sc1Cl)c1cccc(Br)c1 496343465 RKDRAVKVXWXMBT-LBPRGKRZSA-N 446.153 5.161 30 20 IKED Cc1cc(-c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)c3c(C)noc3n2)c(C)s1 498675700 YKBXSMRPMSFNPQ-QGZVFWFLSA-N 441.516 5.253 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H](c4nc5ccc(F)cc5o4)C3)c2)cc1 502100222 OKCQASGJWFIJNF-IBGZPJMESA-N 441.462 5.651 30 20 IKED Cc1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)s1 502321503 VPCOKZJFAYBSDG-UHFFFAOYSA-N 449.454 5.697 30 20 IKED CC(C)n1nc(-c2ccccc2)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 505300763 YXKRRZGKIQELEY-UHFFFAOYSA-N 426.476 5.427 30 20 IKED N#C[C@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1cccc(C(F)(F)F)c1 505975499 FDBSZMGJZLGODN-KRWDZBQOSA-N 429.423 5.014 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(c2ccc(OC)cc2)CC1 508881799 SZAOOUSCNIZFHR-DQEYMECFSA-N 444.579 5.102 30 20 IKED C=CCOc1cccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 509113837 UYQXYJZYELCDEC-UHFFFAOYSA-N 449.429 5.034 30 20 IKED C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510253430 JKFLRTOYABWSOD-LBPRGKRZSA-N 445.520 5.205 30 20 IKED N#Cc1ccc(Cl)c(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)c1 511137534 DKGLPCYOGMTYIA-SFHVURJKSA-N 436.726 5.152 30 20 IKED CCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(OCC(F)(F)C(F)F)nc1 511787577 RFXAJBVEJGNHQE-UHFFFAOYSA-N 440.315 5.031 30 20 IKED COc1cccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1F 511893698 PBJZZEBTHHUVDI-UHFFFAOYSA-N 426.435 5.430 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3CCCCC[C@H]3c3ccc(Cl)cc3)CC2)c(F)c1 512718767 SJZBZCWAFQJUDN-QHCPKHFHSA-N 439.962 5.711 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc(OC)c1C(C)C 512719443 BQMMFQBPLBGZIU-GOSISDBHSA-N 431.517 5.312 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2CCSc3ccccc32)cc1 514036856 VRPVRYDUGUDOOE-QHCPKHFHSA-N 431.536 5.646 30 20 IKED C=CCOc1cccc(NC(=O)C(=O)N[C@@H](c2ccc3c(c2)CCCC3)c2cccs2)c1 517830441 QUJBYBMZADJGRE-DEOSSOPVSA-N 446.572 5.036 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(COc3ccc4ccccc4c3)o2)n1 517926737 ZJAGJIPXQGDNIJ-IBGZPJMESA-N 446.484 5.135 30 20 IKED CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 519442430 KMRFZOKEYDCPAU-IRXDYDNUSA-N 441.622 5.255 30 20 IKED CCc1cc(C#N)c(NC(=O)c2ccc(OCc3cc(C)on3)c(Br)c2)s1 520000548 LMLAVDNMUSCGPO-UHFFFAOYSA-N 446.326 5.072 30 20 IKED Cc1ccc(CN(CCc2ccccc2)C(=O)Nc2ccccc2S[C@@H](C)CC#N)s1 520194883 JFPXEODQJDAKCS-FQEVSTJZSA-N 449.645 6.728 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NC[C@@H]3CCCO[C@@H]3c3ccccc3)c2)cc1 520601586 YXQRXCGCTJPVHO-SQJMNOBHSA-N 427.504 5.640 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(Sc4nncs4)cc3)cc2)cc1 521919379 HBFIURPKSYPGLI-UHFFFAOYSA-N 444.541 5.800 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(CSC2CCOCC2)c1 522478130 BMCRSWOQRYWFCK-UHFFFAOYSA-N 428.557 5.890 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(c2ccccc2F)CC1 524084518 QDWKCBUTNZZKFQ-UHFFFAOYSA-N 443.522 5.996 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1 525569665 NLJPEGAHRUZKMO-UHFFFAOYSA-N 442.302 6.116 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2Sc2ccccc2)cc1 525657265 OXRGZJJJRXFQPF-UHFFFAOYSA-N 428.557 5.904 30 20 IKED C[C@H](NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1cc2ccccc2s1 526958763 XRAHFMQMLKEOOP-INIZCTEOSA-N 441.512 5.381 30 20 IKED Cc1ccc(C2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)cn1 541180212 IATUBTCUOHBORJ-UHFFFAOYSA-N 440.547 5.561 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)N1C[C@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1 541496935 CFTFOTXGPCEJPD-FOIQADDNSA-N 447.457 5.217 30 20 IKED Fc1ccccc1-c1cnc(CN[C@@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)o1 543870112 NMFUPRKRSXAPHX-KRWDZBQOSA-N 434.311 5.773 30 20 IKED CCCCSc1ccc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)cc1C(F)(F)F 545492590 FRBQZCBOZZCWLG-HNNXBMFYSA-N 436.503 5.406 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 547507089 KJMMEKFYHSLRHY-KRWDZBQOSA-N 437.565 5.443 30 20 IKED C=CCC(C)(C)c1noc(CSCc2nc(O)c3c(-c4ccccc4)csc3n2)n1 551491869 HZMVVSSLSWCUGD-UHFFFAOYSA-N 438.578 5.734 30 20 IKED N#CCCC[C@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccccc1 552313245 VVBXYIDETUPZJE-NRFANRHFSA-N 435.911 6.565 30 20 IKED C=CCC[C@@H](NC(=O)NCc1ccc(C[S@@](C)=O)cc1)c1ccc(C(F)(F)F)cc1 553993887 XDQFLPQHTSLASZ-PRAQEBQASA-N 438.515 5.091 30 20 IKED COCCCOc1cc(C)ccc1-c1noc(-c2cn(CCCC#N)c3ccccc23)n1 578817394 HERPMBLROAZSSJ-UHFFFAOYSA-N 430.508 5.386 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 583173976 RYLMKCODWIOCED-WOJBJXKFSA-N 439.441 5.195 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 583255519 ZDIPVXXZEOPLAV-UHFFFAOYSA-N 435.572 5.175 30 20 IKED COc1ccc(C(C)(C)C)cc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 588228529 XZMPVESGZMLDMS-UHFFFAOYSA-N 425.504 5.079 30 20 IKED C=CCn1c(SCC(=O)Nc2cc(F)ccc2Cl)nnc1-c1ccc(Cl)cc1 590255378 YPNWOKPDLKOXNE-UHFFFAOYSA-N 437.327 5.308 30 20 IKED O=C([C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 607300490 BXHBAAAIMDOTSP-LYIQGSDWSA-N 449.313 5.278 30 20 IKED Cc1ccc(NC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)cc1F 608762754 SVDPMTMWSYZKHO-UHFFFAOYSA-N 431.311 5.610 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)c1 608806937 WQIOLINTNWEARD-UHFFFAOYSA-N 448.482 5.381 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(NC(=O)c4ccccc4)c3)o2)cc1 609058203 VVZDCMUCMGXPKR-UHFFFAOYSA-N 437.455 5.235 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn(-c2ccccc2F)c1 609060408 DHXGGOVKNDCLRP-UHFFFAOYSA-N 426.451 5.023 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CCCOc2ccc(F)cc21 609078749 MKKXGXRATGTLPE-DEOSSOPVSA-N 445.494 5.620 30 20 IKED COc1ccc(F)cc1[C@@H](C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609079068 HTAVJXOALVYWLF-QGZVFWFLSA-N 433.483 5.476 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC(C)(C)[C@H]1c1ccccc1 609079205 ORUKHPQFPVEBIN-RUZDIDTESA-N 425.532 6.061 30 20 IKED C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccc(OCc2cccnc2)cc1 609082906 DCCBGLUDSCMDKO-HNNXBMFYSA-N 438.434 5.016 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1Cl 609163326 HTUKAZBGGRAOAK-GOSISDBHSA-N 426.259 5.809 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 609427610 REZTVTOJUKBITO-OAHLLOKOSA-N 448.514 5.350 30 20 IKED CCSc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 609439293 AJRKHBBCNFHMIO-KRWDZBQOSA-N 445.544 5.278 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1 609508722 MTUIIWIRSDIZDA-UHFFFAOYSA-N 449.938 5.306 30 20 IKED CN(C)[C@H](CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1cccs1 609729763 SKRNOXGFRAUESX-LJQANCHMSA-N 425.941 5.098 30 20 IKED Cc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c(OCCN(C)C)c1 609979854 YWYCUMSQZSIONS-UHFFFAOYSA-N 449.938 5.505 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C[C@H](C)c2ccccc2C(F)(F)F)c1C 610176253 ZUNVAWXDCZBYQO-AWEZNQCLSA-N 426.442 5.512 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccn([C@@H](C)c3ccccc3)n2)cc1C 610746040 NQWWBQYKURYBFB-FQEVSTJZSA-N 438.535 5.139 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)cc1 615518066 AFZUUPBBAGKDOT-HXUWFJFHSA-N 442.357 5.028 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 618819396 ZLTBXGRZIHZPCG-IBGZPJMESA-N 442.466 5.187 30 20 IKED CC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 642281663 ODNKBRUNYIUIFF-MRXNPFEDSA-N 430.316 5.565 30 20 IKED N#C[C@H](C(=O)c1cc(Cc2ccccc2)[nH]n1)c1nc2cc(C(F)(F)F)ccc2s1 671278984 SINRZCSMANMMMS-OAHLLOKOSA-N 426.423 5.119 30 20 IKED C=CCC[C@@H](NC(=O)N1CCc2c(cccc2NC(C)=O)C1)c1ccc(C(F)(F)F)cc1 676727079 NWRUAFCUPVUVDD-OAQYLSRUSA-N 445.485 5.439 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H]2CCOc3ccc(OCC)cc32)cc1OC 681368704 LOYLLMYCTACXBQ-LJQANCHMSA-N 448.357 5.035 30 20 IKED CC(C)N1C(=O)C(=NNc2ncnc3scc(-c4ccc(F)cc4)c23)c2ccccc21 725838181 ILPOAXMIXPMCKI-UHFFFAOYSA-N 431.496 5.069 30 20 IKED N#C[C@@H](C(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1nc(-c2ccccc2)cs1 726321469 IHELIAABKXWCEY-KRWDZBQOSA-N 440.484 5.415 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1sc(-c2ccc(Cl)cc2)nc1C 726755525 PQLHANFLXAHLJD-UHFFFAOYSA-N 432.936 5.521 30 20 IKED CCOc1cc(/C=C\C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc(Cl)c1OC 727267724 OAUZYGNWHLMNEP-SREVYHEPSA-N 434.832 5.077 30 20 IKED CC(C)c1cccc(O[C@H](C(=O)OCC(=O)Nc2ccc(CC#N)cc2)c2ccccc2)c1 730642899 DZBGJYKFMCKNFA-SANMLTNESA-N 442.515 5.178 30 20 IKED N#C[C@@H](C(=O)CCc1nc2cc(Cl)ccc2s1)C(=O)Nc1cccc2ccccc12 730686527 GVQGBVQSAWKLPD-KRWDZBQOSA-N 433.920 5.383 30 20 IKED Cc1csc(SCc2ccc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)cc2)n1 731643574 IFRYZPMGHYJFHW-GOSISDBHSA-N 448.400 6.045 30 20 IKED CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)Cc1ccc(OCC#N)cc1 731958331 MURFOUIFESAYHL-UHFFFAOYSA-N 448.544 5.292 30 20 IKED CC(C)(Oc1cccc(Cl)c1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 733051629 KXNZUCUDQRDYTC-CQSZACIVSA-N 432.879 5.776 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(Cc2ccc3ccccc3c2)C2CC2)ccc1OC 733655736 ANPWSSRLHNKGKN-DEOSSOPVSA-N 443.547 5.404 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCCCC[C@@H]2c2cccc(C)c2)ccc1OC 735579506 FNLSKXHBZIKAGJ-DHIUTWEWSA-N 435.568 5.512 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2nc(C(C)C)n(-c3ccccc3F)n2)cc1 744032579 HFECEBIMTXIKTE-QFBILLFUSA-N 447.514 5.004 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2ccccc2-c2ccccc2C#N)cc1 744516520 QXRJWFBINOFBGA-HXUWFJFHSA-N 437.499 5.026 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(Cl)cc(Br)c1 747205043 OKBPDVBWHOJRQB-LBPRGKRZSA-N 446.515 5.370 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 747228936 JKWUKJMDYUGYHJ-HSZRJFAPSA-N 426.476 5.447 30 20 IKED CC(C)(C)OC(=O)N1CCc2cc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)ccc21 752672174 VRFGRTRBNGLAML-GMAHTHKFSA-N 446.551 5.288 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H](C)Cc1cccc(Cl)c1 756351956 XAWJODROIRCYCQ-HZPDHXFCSA-N 430.957 5.095 30 20 IKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 761845567 JXHZGVUUEWEFDG-RXFWQSSRSA-N 441.531 5.612 30 20 IKED Cn1cc(/C=C\C(=O)c2cc(Br)ncc2F)c(-c2cc3ccccc3o2)n1 762422944 NMJPVCMYQBVYGN-SREVYHEPSA-N 426.245 5.026 30 20 IKED COc1cc(C(C)=NNc2c(F)cc(C(=O)NC3CC3)cc2F)ccc1SC(F)F 763185512 HQELASDUWVVHAN-UHFFFAOYSA-N 441.450 5.016 30 20 IKED C=CCn1c(-c2ccc(C)cc2)nn(CN(C)[C@@H]2CCCc3nc(C)sc32)c1=S 764990722 MXLUJJWUTLWNJY-LJQANCHMSA-N 425.627 5.307 30 20 IKED CCCC[C@H](ON=C(C)C)C(=O)O[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 767753198 ZPPUFPKHLVUDOO-LRDDRELGSA-N 428.316 5.619 30 20 IKED N#Cc1cccc([C@H]2CN(Cc3cnc(-c4ccc(Br)cc4)s3)CCO2)c1 770391095 NQUMLFURBYXYFL-HXUWFJFHSA-N 440.366 5.018 30 20 IKED O=C(/C=C\c1ccc(Oc2cnccn2)cc1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 771097566 JWLZGEDHTXVMLQ-PNWMKBJFSA-N 434.467 5.252 30 20 IKED O=C(c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)N1CCC(C(=O)C(F)(F)F)CC1 773079451 QKSGKNKXWZNNNH-UHFFFAOYSA-N 447.350 5.495 30 20 IKED N#CCCCn1cc(C(=O)Oc2ccc(-c3noc([C@H]4CCCO4)n3)cc2)c2ccccc21 774083762 SBVCEYZGCKFQNG-JOCHJYFZSA-N 442.475 5.066 30 20 IKED Cc1cc(SC(C)(C)C)ccc1NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 783307129 ZYZXUCLKSQOOOG-UHFFFAOYSA-N 425.554 5.145 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)cc1 783732945 TUZQJLZXCLMVBV-UHFFFAOYSA-N 435.471 5.208 30 20 IKED CCCn1c(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc2ccccc21 787874348 XULROQVNUAJPHJ-QGZVFWFLSA-N 435.549 5.099 30 20 IKED N#C[C@H]1CC[C@H](Sc2nnc(CSc3nc4ccccc4s3)n2-c2ccccc2)C1 788097378 UXTKUNYEKLVKGP-RDJZCZTQSA-N 449.630 5.954 30 20 IKED Cc1nnc(SCc2c(C(=O)OCc3ccc(C#N)c(F)c3)oc3ccccc23)s1 791354594 UJYUIWHIAACHCE-UHFFFAOYSA-N 439.493 5.253 30 20 IKED C[C@@H](C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1ccc(C(F)(F)F)cc1 798785704 AKIVDPDQCMWRNZ-OAHLLOKOSA-N 428.410 5.103 30 20 IKED CCc1cccc(CC)c1N1C(=O)/C(=C/c2ccc(OCC#N)c(OC)c2)SC1=S 799202739 DECHMBJADBVEOQ-ZHZULCJRSA-N 438.574 5.128 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc2ccccc2cc1NC(=O)C1CC1 804560737 KWDNCOVPUUZAPF-UHFFFAOYSA-N 430.552 5.184 30 20 IKED CCCCC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccccc1 810360300 KKIKMQWYNKNAOD-DEOSSOPVSA-N 442.519 5.122 30 20 IKED CCCCC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccccc1 810360301 KKIKMQWYNKNAOD-XMMPIXPASA-N 442.519 5.122 30 20 IKED Cc1cc(NC(=O)c2c(F)cc(C#N)cc2F)c(C(=O)N[C@H](C)c2ccccc2)cc1F 813284720 CWNLTTHQDYCTLH-CQSZACIVSA-N 437.421 5.027 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H](Cc2ccccc2Cl)c2cccs2)ccc1OC 813860564 RCLPITFICHDSTR-FPOVZHCZSA-N 440.996 6.165 30 20 IKED N#Cc1ccccc1Sc1ccc(-c2nc([C@@H]3CCC(=O)N(CC4CCC4)C3)no2)cc1 856553168 AXYVTYJREZALBB-HXUWFJFHSA-N 444.560 5.266 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(CCc3ccccc3)CC2)cc1 915351635 AMNASEZNCYWYMD-MHZLTWQESA-N 438.575 5.171 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)c1 916703953 YKIHZIGDISELIH-UHFFFAOYSA-N 433.430 5.110 30 20 IKED C[C@@H](Sc1ccc(Cl)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916884484 YJFFXGXJWNUFPD-BZNIZROVSA-N 440.924 5.483 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc2c(Cl)cccc2s1 916886743 JPZZIGMJKSRSQD-ZDUSSCGKSA-N 436.892 5.831 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)s2)cc1 916913048 VFDNSWVALPRBCL-INIZCTEOSA-N 439.924 5.132 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCN(C(=O)Nc4ccccc4)CC3)n2)cc1 916972211 KTBWBVRITXWDNT-OAQYLSRUSA-N 444.560 5.239 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C 918614312 BTQWDBVSTILPML-ZDUSSCGKSA-N 449.429 5.330 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 919815095 QVQFGPYOZFYWOD-MUUNZHRXSA-N 443.506 6.045 30 20 IKED Cc1cc(-n2c(C)cc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2C)no1 920804039 JAQDSWVHDCJWDO-HNNXBMFYSA-N 438.459 5.282 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4nccn34)CCC2)cc1 1785842580 GUCGGASRHBNEJC-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccn(C(C)(C)C)n3)cc2)CCC1 1787121827 KLHQCVPZVHIUSH-OAQYLSRUSA-N 434.584 5.154 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(C(F)(F)F)cc4)cc3)CCC2)C1 1787769080 XJOHNJMWVKNZLR-UHFFFAOYSA-N 442.481 5.348 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](F)c4ccccc4)CCC3)cc2)cc1 1790705239 MNVFRVYDHVPEJZ-DEOSSOPVSA-N 441.506 5.211 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)cc(Cl)c3)cc2)CCC1 1792112872 ACTFBAUFVSNQLV-KRWDZBQOSA-N 441.959 5.197 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3ccoc23)[C@@H]1c1cccnc1 1810502829 MIBZKFFCUKWAIW-JTHBVZDNSA-N 445.563 5.140 30 20 IKED Cc1csc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823211256 LRTMCTJPXFFTJY-JXFKEZNVSA-N 447.564 5.026 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)ccc2C)CC1 1823894936 ZOVGYTNEMZMEFK-ISKFKSNPSA-N 426.576 5.136 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc(Cl)ccc2F)CC1 1825360082 MEEMOTUQMUXLMK-IBGZPJMESA-N 449.998 5.100 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(C)cccc3[nH]2)CC1 1828577554 SYMRQKMATOSLOZ-GJZUVCINSA-N 447.623 5.478 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2Cl)CC1 1828827175 JDGLTYKUXSYKPM-OFNKIYASSA-N 429.004 5.342 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCOc2ccccc2)CC1 1829066098 NTLLJUWXLXUAGW-DEOSSOPVSA-N 440.628 5.068 30 20 IKED CC(C)(C)CCCCCC(=O)N1CCCC12CN(C(=O)c1cccc(C#N)c1Cl)C2 1846086883 QHZVZMGOBMNJGY-UHFFFAOYSA-N 429.992 5.025 30 20 IKED N#Cc1ccccc1OCC(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 16069890 BBWXFGDIFOWNPA-FQEVSTJZSA-N 429.907 5.020 30 20 IKED N#CCc1ccc(NC(=O)CSc2nc3ccccc3n2CCc2ccccc2)cc1 20040817 CTQFRTJJFBWHPT-UHFFFAOYSA-N 426.545 5.076 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)NCCC(C)C)nc2scc(-c3cccs3)c2c1=O 21953635 FYDFIAXXSHALNV-AWEZNQCLSA-N 447.651 5.015 30 20 IKED N#CCC[C@@H](C#N)CSc1nc2scc(-c3cccs3)c2c(=O)n1-c1ccccc1 24097058 GKRHYNKARXJQHT-HNNXBMFYSA-N 448.598 5.711 30 20 IKED Cc1ccc2nc(-c3ccc(NC(=O)CSc4nc(C)nc(C)c4C#N)cc3)sc2c1 25959492 HBTPRUFYDMVJGG-UHFFFAOYSA-N 445.573 5.281 30 20 IKED O=C(NCCc1cccc(F)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 26214129 LBNHPCSUUVZSLE-UHFFFAOYSA-N 445.338 5.022 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nc(C(F)(F)F)nc3ccccc23)cc1 26514547 WZIUIUWDQITPIY-HNNXBMFYSA-N 444.482 5.385 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1C#N 58378546 NHHNVCPATVUVGS-UHFFFAOYSA-N 428.517 5.057 30 20 IKED C=CCn1c(SCc2noc(C(C)C)n2)nc2scc(-c3cccs3)c2c1=O 59961043 MVYWGQLOMFASRM-UHFFFAOYSA-N 430.580 5.171 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3s2)ccc1OCc1ccccc1Cl 60477214 AXKNPDVCLNIKEG-KRWDZBQOSA-N 448.931 6.027 30 20 IKED COc1cccc(-c2nnc(S[C@@H](C#N)Cc3ccc(C)cc3)n2Cc2ccco2)c1 60697604 YUFLOPQXQBMVCB-JOCHJYFZSA-N 430.533 5.130 30 20 IKED O=C(/C=C\c1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc([N+](=O)[O-])cc1 108213387 TWXGOHFMEDERCI-YHKLRMRPSA-N 428.400 5.295 30 20 IKED O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(N2CCCC2=O)cc1 208827374 ODSFCXJZMMUGHG-QINSGFPZSA-N 448.526 5.016 30 20 IKED CC(=O)c1ccc(OCCCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 302957282 DFEZPGJDCFQRFW-UHFFFAOYSA-N 428.488 5.659 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1 303966319 YKBAMAWEAMWFMH-UHFFFAOYSA-N 426.303 5.737 30 20 IKED N#Cc1c(NC(=O)c2cc(Cl)ccc2I)sc2c1CCCC2 389716967 JJPNKSUEPFLBOA-UHFFFAOYSA-N 442.709 5.009 30 20 IKED C[C@H](NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1ccc(C#N)cc1 410260267 KGAGUVILFYUIQM-HNNXBMFYSA-N 448.320 5.064 30 20 IKED N#CCCC[C@@H](NCC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1ccccc1 433021538 QYCLVVZUZODWPL-ZEQKJWHPSA-N 429.589 5.247 30 20 IKED COc1ccc([C@@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)c2c[nH]c3ccccc23)cc1 435952475 ZWGDZNNDSHYCAL-XMMPIXPASA-N 435.527 5.028 30 20 IKED CCn1c([C@@H]2CCCN2CC(=O)Nc2ccccc2SC[C@@H](C)C#N)nc2ccccc21 437651796 FRLNTKMCNLLMGS-AVRDEDQJSA-N 447.608 5.084 30 20 IKED CO[C@@H](C)c1nc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cs1 438629391 QTULJQNHOJGEKG-IFXJQAMLSA-N 440.956 5.481 30 20 IKED C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 438651553 VJQNUGHGSAMVDJ-UHFFFAOYSA-N 447.878 5.146 30 20 IKED CCCc1c(NC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)cnn1-c1cccc(C#N)c1 439673308 MKVPPMZJUKAKKI-HSZRJFAPSA-N 441.539 5.092 30 20 IKED CCCc1c(NC(=O)N2C[C@H](C)C[C@@H]2c2cccc(OC)c2)cnn1-c1cccc(C#N)c1 439676382 WLRJJVKTRXHZMK-IQGLISFBSA-N 443.551 5.320 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccccc1CN1CCOCC1)c1ccc(C(F)(F)F)cc1 442206358 GNDPKYYSJRHFLA-OAQYLSRUSA-N 447.501 5.367 30 20 IKED Cc1cc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)ccc1C(F)(F)F 443927749 NFKABVBPSDGXAP-UHFFFAOYSA-N 431.311 5.610 30 20 IKED Nc1ccc(F)c(NC(=O)CCN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1 444735935 OSEXXWDJCHMCGH-INIZCTEOSA-N 437.359 5.039 30 20 IKED O=C(Nc1c(F)cc(F)cc1F)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444862634 RVJMMRLHMCVMBS-ZDUSSCGKSA-N 430.270 5.938 30 20 IKED COc1ccc(NC(=O)c2ccc(NCc3cccn3Cc3ccccc3C#N)cc2)cc1 446901559 YGXNSRVNKGBSJO-UHFFFAOYSA-N 436.515 5.281 30 20 IKED CC1=C(c2ccco2)CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)CC1 461479588 CEJDXCDBPGMGMW-UHFFFAOYSA-N 427.533 5.203 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 463548647 VNZWKTJJHRHVEV-AWEZNQCLSA-N 437.858 5.009 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1ccc(NC(=O)C2CC2)cc1 463755481 UASQDHNVTBOWAA-UHFFFAOYSA-N 441.506 5.130 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)c12 464464360 HOEBCKOIVWAUCN-INIZCTEOSA-N 441.457 5.276 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cccc(Cn2cnc3ccccc32)c1 465786414 SUNOKTGMJCPMKG-AOYPEHQESA-N 449.558 5.066 30 20 IKED CC[C@H](Cc1ccccc1Br)N(C)C(=O)Nc1ncccc1OCCCC#N 466615320 FGSJMHPMEYVYFU-QGZVFWFLSA-N 445.361 5.012 30 20 IKED N#CCCCOc1cccnc1NCc1cnc(-c2ccc(Br)cc2)s1 466615950 BZWGNUVEXFZLGA-UHFFFAOYSA-N 429.343 5.262 30 20 IKED CC[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1nc(C(F)(F)F)cs1 467705294 PVZDDAIHWQVAGY-RYUDHWBXSA-N 428.505 5.829 30 20 IKED Cc1csc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c1I 468883360 IAPJUKRUUPWGPC-LLVKDONJSA-N 442.347 5.308 30 20 IKED Cc1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1C(=O)N(C)C(C)C 470439241 VBVBWUGWIUTMSU-UHFFFAOYSA-N 441.531 5.178 30 20 IKED Cc1cc(C(=O)N[C@@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)c(C(F)(F)F)o1 472006625 IDZSBZIAXCCUDI-NSHDSACASA-N 435.242 5.539 30 20 IKED N#C[C@]1(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CCc2ccccc2C1 472272327 DHVRKSAYKXOUQY-QHCPKHFHSA-N 440.330 5.148 30 20 IKED Cc1csc(NC2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)n1 473648991 BIIZAZBAEZTBFY-UHFFFAOYSA-N 447.564 5.532 30 20 IKED N#Cc1cccnc1Oc1ccccc1N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O 473663274 GYWCQCXNWPQGOH-SFHVURJKSA-N 439.302 5.270 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)Cn1c(COc2ccccc2)nc2ccccc21 476112301 SOVQAIVPQTWBIY-UHFFFAOYSA-N 439.559 6.106 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(OC)cc1I 476123948 XQNBQNNRAYAVFU-UHFFFAOYSA-N 435.305 5.404 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCc2cc(-c3ccccc3)oc2C1 477051457 PIIRPEQMNQFNSU-SFHVURJKSA-N 431.561 5.195 30 20 IKED CC(C)c1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)CCC2 477721611 TYYNILMLEBGRHS-DYESRHJHSA-N 435.593 5.337 30 20 IKED Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cc2)n1 479786583 VARTUKQHVCOVJA-IBGZPJMESA-N 437.503 5.039 30 20 IKED C[C@H]1c2cccc(Br)c2CCN1C(=O)Nc1ccccc1SC[C@H](C)C#N 480558874 UYCHHEHZGORGEM-CABCVRRESA-N 444.398 5.852 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 480599556 ZXQZIAQANPGZMH-UHFFFAOYSA-N 439.003 5.044 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2Cc3ccccc3C3(CC3)C2)cc1 480640215 WWJLAYPILULETN-UHFFFAOYSA-N 425.488 5.438 30 20 IKED N#CCCCOc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c1 483178014 KSAXSZFDKQZODZ-UHFFFAOYSA-N 433.489 5.681 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1cnc2ccccc2n1 483200286 KZZUONSPTXPNSE-QGZVFWFLSA-N 434.377 5.326 30 20 IKED CC(C)(C#N)c1ccccc1CN[C@H](CO)c1ccc(Br)cc1C(F)(F)F 483257556 RCYSKUVFHLERTJ-GOSISDBHSA-N 441.291 5.092 30 20 IKED N#Cc1ccc(SCC(=O)Nc2ccc(CN3C(=O)Cc4ccc(Cl)cc43)cc2)cc1 483641085 IEWGZBUMOREABG-UHFFFAOYSA-N 447.947 5.032 30 20 IKED Cc1nc(-c2ccc(Br)cc2)c(NC(=O)C[C@H](CC#N)c2ccccc2)n1C 483646655 AHRFSASWPRJSDU-SFHVURJKSA-N 437.341 5.184 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@@H]3CCC[C@H](c4ccccc4)C3)ccc21 487234134 IEFYGPUAKQKWPG-RBBKRZOGSA-N 430.552 5.117 30 20 IKED N#Cc1cccc(-c2cnc(CNC(=O)[C@H](Sc3ccc(F)cc3)c3ccccc3)[nH]2)c1 493947050 QXOUDPWATLVCMI-XMMPIXPASA-N 442.519 5.237 30 20 IKED C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(=O)NCCc1cccs1 495639186 MXVOEFSWMQEGQT-OAHLLOKOSA-N 425.941 5.225 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)NC3CC(C(F)(F)F)C3)s2)c(C(F)(F)F)c1 496352601 ZZJPDVMWSHCZII-UHFFFAOYSA-N 448.392 5.087 30 20 IKED CCN(C(=O)CCCCOc1cccc(C#N)c1)[C@@H](c1ccc(C)cc1)c1cccnc1 496475799 WHZSMZZTPPBFEL-MHZLTWQESA-N 427.548 5.449 30 20 IKED CCN(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(c1ccccc1)c1ccccc1 498309348 HBACUDREEIPIIP-UHFFFAOYSA-N 446.572 5.016 30 20 IKED CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 503431933 VCZYSAMZUHZKEA-UHFFFAOYSA-N 432.423 5.194 30 20 IKED Cc1cc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C(C)C)cc2)nn1CCC#N 504300057 SMHPQHNCGICOLP-UHFFFAOYSA-N 438.535 5.334 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCCc3cccc4cccnc34)c2)cc1 505600137 SUJDDKXMSGWTIW-UHFFFAOYSA-N 436.515 5.244 30 20 IKED CCNC(=O)c1cccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 505909316 HPVJAHCXDZGQEB-QFIPXVFZSA-N 446.938 5.067 30 20 IKED O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 506981248 CIJWUABKATUBJV-UHFFFAOYSA-N 426.691 5.290 30 20 IKED Cc1ccc(CN(Cc2ccco2)C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)s1 508157601 MRSKDMPWBPYKBC-UHFFFAOYSA-N 437.540 5.106 30 20 IKED C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCC(c2cnn(CC)c2)CC1 508791710 CDTSPTMHJHIENT-UHFFFAOYSA-N 431.371 5.038 30 20 IKED Cc1cccc(NC(=O)CN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1C 510663371 GBPDTPYRGUARHW-UHFFFAOYSA-N 428.492 5.070 30 20 IKED CC(C)(CCC#N)CNC(=O)C(=O)Nc1ccc(Cl)cc1-c1cccc2ccccc12 510971466 RIKXIKGWMOHRIJ-UHFFFAOYSA-N 433.939 5.545 30 20 IKED C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 511411938 HHHPMRZNNYCDIU-RWBZWWBESA-N 447.366 5.353 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H](c3ccccc3)c3ccccn3)c2)c1 511517160 XZLZYFYYPJZLPJ-RUZDIDTESA-N 447.498 5.117 30 20 IKED CCCCCN(C(=O)CSCC#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 512214191 QEGXPIUTNIAZQV-UHFFFAOYSA-N 428.410 5.897 30 20 IKED CCc1cc(=O)c2cc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)ccc2[nH]1 512567294 ZIXNEPAAWRPPJY-UHFFFAOYSA-N 427.435 5.146 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4ccc(C(F)(F)F)cn4)cc3)o2)c1 513198007 XLKBIXVGBBSWNX-IBGZPJMESA-N 448.404 5.616 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3nc(-c4ccccc4)cs3)s2)cc1 513292228 XZZXMFRCVXBZRB-UHFFFAOYSA-N 435.559 5.078 30 20 IKED N#Cc1ccc(OC2CCN(Cc3cccc(NC(=O)c4ccccc4Cl)c3)CC2)cc1 513716946 JYMZZEPOEMRWBN-UHFFFAOYSA-N 445.950 5.507 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COc1ccccc1C(=O)Nc1ccccc1 517447277 FUFKTVYSKOCWMH-GOSISDBHSA-N 445.544 5.208 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)Nc3cc(C#N)ccc3OC(C)C)c12 518655409 KGPNRVUBVLYLBL-UHFFFAOYSA-N 430.464 5.346 30 20 IKED Cc1nc(NC(=O)[C@H](Sc2ccccc2Cl)c2ccccc2)sc1SCC#N 519267494 BZYXVUBMOVBWDZ-QGZVFWFLSA-N 446.022 6.193 30 20 IKED CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccccc3SC[C@@H](C)C#N)n2)cc1 520824887 GNJMLELYQTUBIR-KRWDZBQOSA-N 434.565 5.683 30 20 IKED CCN(Cc1ccc2ccccc2c1)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 520934446 DSGRZHFXICRROY-SFHVURJKSA-N 431.561 5.221 30 20 IKED CN(C)c1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c(C(F)(F)F)c1 522306964 VTOQKUSUNUSEET-UHFFFAOYSA-N 439.437 5.474 30 20 IKED CCn1c(CCNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)nc2ccccc21 523973438 CIXGIZYACSQSNY-UHFFFAOYSA-N 444.922 5.346 30 20 IKED CC[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1nccs1 524129109 DXYYOKIPXYKPRX-GOSISDBHSA-N 426.929 5.520 30 20 IKED CCCC(=O)Nc1cccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1C 524502684 XLJCWWPFOINIFG-UHFFFAOYSA-N 427.504 5.437 30 20 IKED Cc1nc(SCc2nnc(-c3cccc(C#N)c3)o2)n([C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C 525110709 GJPCJLHCANWBDQ-QRKMNUTDSA-N 433.581 5.711 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)Cc2nc3ccccc3s2)cc1C 532184604 DAZKUTWFKNETIV-SFHVURJKSA-N 443.576 5.051 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)NCc2nc(C(F)(F)F)cs2)cc1Cl 535607412 XEVUFLHPNAHPLK-UHFFFAOYSA-N 437.830 5.409 30 20 IKED Cc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1NC(=O)c1cccs1 536187101 PBCAEWJWTZZHMF-OAHLLOKOSA-N 435.574 5.813 30 20 IKED CC(C)(C)n1ncc(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1C(F)(F)F 539101960 XVMJHAYPWPZKRO-UHFFFAOYSA-N 426.442 5.126 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 539127797 OVLSTJQSJBNPQC-SFHVURJKSA-N 426.545 5.799 30 20 IKED Cc1sc2nc(SCCCC3(C#N)CCOCC3)n(C3CCCC3)c(=O)c2c1C 539670376 JFIRAKKLQJALDN-UHFFFAOYSA-N 431.627 5.383 30 20 IKED CCCc1c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cnn1-c1ccccc1 543101113 IKGBAWSWPALAQX-UHFFFAOYSA-N 426.476 5.121 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1cc(C#N)ccc1OC(C)C 543864670 LXSUTRFKUDGSID-UHFFFAOYSA-N 429.398 5.580 30 20 IKED COc1ccc(C2(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CCOCC2)cc1 545291316 WVNDNVWOHBNGRJ-UHFFFAOYSA-N 446.478 5.185 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(NCC(F)(F)F)c1 548078655 MJNASMAQEKOCNW-UHFFFAOYSA-N 427.451 5.936 30 20 IKED CC(C)C(=O)c1ccc([C@@H](C)C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 549007045 NYTNOMBBSQXCLJ-IBVKSMDESA-N 440.543 5.589 30 20 IKED CC(=O)N(c1nc(CSc2cccc(Cl)c2C#N)cs1)c1cccc(C)c1C 552438854 NFPVOFZXJNQGAK-UHFFFAOYSA-N 427.982 6.262 30 20 IKED Cc1nc(C2(NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CCCCC2)no1 554130936 AHZHFGAMYFSPSW-HXUWFJFHSA-N 449.942 5.668 30 20 IKED CC(C)c1noc(Cc2ccc(NC(=O)c3ccccc3Oc3ccccc3C#N)cc2)n1 554942018 FVWHAHOGUXZUTH-UHFFFAOYSA-N 438.487 5.700 30 20 IKED N#CCCC[C@H](NCc1ccc(OC(F)(F)F)c(Br)c1)c1ccccc1 560561807 LDGNFXQWBICPFQ-KRWDZBQOSA-N 427.264 5.872 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1ccc2n[nH]cc2c1 562151360 POUVKLJGCNTMLS-KRWDZBQOSA-N 425.492 5.205 30 20 IKED Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)Cc1c(F)cccc1C#N 564247638 DZUYGTCBWZDRIF-UHFFFAOYSA-N 444.485 5.924 30 20 IKED N#Cc1cc(Oc2ccc(NCc3ncc(-c4cccc(Br)c4)[nH]3)cc2)ccn1 564419420 IMAKLLOCWLYFRO-UHFFFAOYSA-N 446.308 5.510 30 20 IKED COc1ccc2cc(CN(C)C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)ccc2c1 576078247 UXKZUHQVMWRRQW-UHFFFAOYSA-N 438.487 5.571 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)NCc3ccc(Oc4ccccc4)nc3)s2)cc1 576287403 PRPKXTSQASLDEA-UHFFFAOYSA-N 441.516 5.115 30 20 IKED O=C(CC1(C(F)(F)F)CC1)Nc1cc(NC(=O)CC2(C(F)(F)F)CC2)c(F)cc1F 582204125 HCCBLHBOLJHJHW-UHFFFAOYSA-N 444.322 5.307 30 20 IKED CC(C)(C)c1ccc(-c2csc(NC(=O)Cc3noc(CCCCCC#N)n3)n2)cc1 589147005 TUGMUSFQXSIXDQ-UHFFFAOYSA-N 437.569 5.298 30 20 IKED COc1cc([C@H](C)NC(=O)N(C)Cc2ccc(C#N)cc2)ccc1OCc1ccccc1 604077562 FKJNBRAKNGMOEJ-IBGZPJMESA-N 429.520 5.048 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C)c(Oc4ccncc4)c3)n2)cc1 604691150 ILJDSWADDOMRIA-OAQYLSRUSA-N 441.512 5.805 30 20 IKED O=C(NCCc1c[nH]c2ccc(F)cc12)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 604914540 RIAHDLXRGIODNT-RYUDHWBXSA-N 439.375 5.058 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N(CCc1ccccn1)Cc1ccc(F)cc1 608891811 LXEPSFWJJARZOB-UHFFFAOYSA-N 432.499 5.156 30 20 IKED COCCN(Cc1cccnc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609047001 OPUOUZAJMJOCKF-JOCHJYFZSA-N 434.927 5.071 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(-c4cnco4)cc3)cc2Cl)c1 609062175 CSFGXGJUUDTOBA-UHFFFAOYSA-N 429.863 5.698 30 20 IKED COCCSc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 609147543 FCUHSGMQSHFPMM-KRWDZBQOSA-N 448.548 5.367 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CCc1cnn(-c2ccccc2)c1 609151776 HKEULFHGIGBNFC-UHFFFAOYSA-N 440.934 5.563 30 20 IKED Cc1cc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c2c(C(C)C)noc2n1 609174913 YUUREPQTPPJOKV-QFIPXVFZSA-N 440.503 5.228 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 609377101 OTOQVAWIGZZCLO-HNNXBMFYSA-N 440.956 5.603 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl 609402905 HEEQEOFBRPUENB-HZPDHXFCSA-N 431.964 5.970 30 20 IKED C[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccc(OCC(F)(F)F)cc1 609433166 ASTTZHSKULRQMU-GOSISDBHSA-N 440.465 5.929 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NCCc3ccc(OCc4ccccc4)cc3)cc2)nc1 609502332 WGESCWJEAFCKFQ-UHFFFAOYSA-N 449.510 5.297 30 20 IKED N#Cc1cc(F)c(N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c(F)c1 609511580 AUQGLTPNLPLJDF-QHCPKHFHSA-N 438.522 5.530 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(OCC3CCOCC3)cc2)c1 609908743 SWXDZXWELFVJRJ-UHFFFAOYSA-N 442.515 5.195 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCC2(c3cccc(Cl)c3)CC2)cc1 610093473 HHOBABAEXCWPGS-UHFFFAOYSA-N 445.950 5.838 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCc4c(Cl)cccc4C3)cc2F)c1 610095352 POLXFPFRCULORF-UHFFFAOYSA-N 435.886 5.520 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 610223691 BYRGGUSFTVCEAN-UXHICEINSA-N 438.314 6.103 30 20 IKED C[C@H](NC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F)c1cccc(C#N)c1 610319492 IQUJLMDCNYSXEH-ZDUSSCGKSA-N 442.397 5.305 30 20 IKED Cn1ccnc1C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccccc1 610322215 ZVBAVDWXYBCPFI-HSZRJFAPSA-N 437.503 5.190 30 20 IKED N#Cc1ccc(CSCc2nc(Cc3nc4cc(C(F)(F)F)ccc4s3)no2)cc1 612882042 XKDIXUAURKQMRB-UHFFFAOYSA-N 446.479 5.594 30 20 IKED N#C[C@@H](C(=O)c1ccccc1OCc1ccc(Br)cc1)c1nc2ccccc2o1 614439872 RMJCNZQNLIZJJB-SFHVURJKSA-N 447.288 5.659 30 20 IKED COc1ccc(CN(C(=O)NCc2ccc(C#N)c(Cl)c2)C2CCCCC2)cc1OC 619827485 OQWXKYULWWWZOB-UHFFFAOYSA-N 441.959 5.273 30 20 IKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccccc1OCCF 622629541 SLCGVSIOXDKPSI-UHFFFAOYSA-N 425.300 5.090 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3Oc3cccnc3)n2)cc1 623036496 BDFOIJHMKWOYMZ-FQEVSTJZSA-N 427.485 5.496 30 20 IKED C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1csc(C)n1 685532844 RHXCIWBKXOFTGV-GOSISDBHSA-N 432.018 5.516 30 20 IKED Cn1c(C(=O)[C@H](C#N)c2ccc3ccccc3n2)ccc1-c1ccccc1Br 726318640 OFWKVMJLZIVGQP-QGZVFWFLSA-N 430.305 5.493 30 20 IKED C#CC[C@@H](OC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C)c1ccccn1 727775206 BPXWOYQOSFPNAN-GOSISDBHSA-N 442.899 5.418 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCCCOc3ccccc3F)cc2F)c1 728392373 IBSCNUSWMMCBJW-UHFFFAOYSA-N 437.446 5.006 30 20 IKED COc1ccccc1-c1nnc(SCc2ccc(OCC#N)cc2)n1-c1ccc(C)cc1 729240980 AINGALKVGDKODL-UHFFFAOYSA-N 442.544 5.446 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 729403437 WLTUFYBVGROAQX-UHFFFAOYSA-N 443.503 5.737 30 20 IKED CCc1oc2ccccc2c1C=NNc1ccc(S(=O)(=O)N(CC)c2ccccc2)cn1 730552055 VWCVMFKWSHDMJO-UHFFFAOYSA-N 448.548 5.051 30 20 IKED O=C(/C=C\c1ccc(OCc2occc2C(=O)O)cc1)c1ccc(Br)s1 730951094 KTTVANNMLJJKCK-UTCJRWHESA-N 433.279 5.277 30 20 IKED COc1cc(C(=O)/C=C\c2ccc(OCc3occc3C(=O)O)cc2)ccc1OC(F)F 730952505 XXSIQCCQDDKNPN-YWEYNIOJSA-N 444.386 5.063 30 20 IKED Cc1nc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nn1-c1ccccc1 731573908 MBYGNMIQLTYSHS-OAQYLSRUSA-N 427.895 5.137 30 20 IKED N#CCCN(C(=O)CCc1nc(C(c2ccccc2)c2ccccc2)no1)c1ccccc1 731788703 WBCQYDIBNNZUKV-UHFFFAOYSA-N 436.515 5.129 30 20 IKED O=C1/C(=C\c2cccc([N+](=O)[O-])c2)CC/C1=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1 733083070 BXUJHYQZBUJTFG-HEKJOVTRSA-N 433.445 5.456 30 20 IKED CCC(=NNc1ccc(S(=O)(=O)N(CC)c2ccccc2)cn1)c1ccc(Cl)s1 733201640 NEMJVKWSOLQVBO-UHFFFAOYSA-N 449.001 5.238 30 20 IKED C#CC[C@@H](OC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)c1ccccn1 733693291 YQRSKUWTWAEWLV-OAQYLSRUSA-N 449.304 5.018 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)c2ncc(-c3ccccc3)o2)cc1C 741316932 XTHMQBIRBSHWIN-LJQANCHMSA-N 440.503 5.654 30 20 IKED COc1ccc(/C=C(\Cl)c2nc(O)c3c(-c4ccc(C)cc4)csc3n2)cc1C#N 741852516 MUIDCAOLHLWWRK-ZDLGFXPLSA-N 433.920 5.990 30 20 IKED C=CCn1c(CCN2CCCCC2)nn(CN2CCC[C@H]2c2cccc(C)c2C)c1=S 742152095 DDDCMCOJGYBENI-QHCPKHFHSA-N 439.673 5.040 30 20 IKED CC(=NOCc1nnc(-c2cccc(C#N)c2)o1)c1ccc(OCc2ccc(F)cc2)cc1 742356816 XBQRHQIPGJQJPM-UHFFFAOYSA-N 442.450 5.267 30 20 IKED CCO[C@@H]1C[C@H](/N=C/c2cc(Br)cc(Br)c2O)C12CCCC2 743044885 SVQXBTFXTNDNHU-ZFIXWXCISA-N 431.168 5.074 30 20 IKED COc1ccc(C[C@@H]2CCCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)C2)cc1 743095499 KUVBQELJKYKQSK-CUNXSJBXSA-N 439.559 5.837 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)s2)c(C)c1 746417348 WGPPDVKHFGISBZ-INIZCTEOSA-N 441.915 5.489 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(Cn3c(-c4ccccc4)csc3=S)CC2)c1 747457105 NVTTWCATRCLWRG-UHFFFAOYSA-N 434.590 5.126 30 20 IKED CCOc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccsc3)cc2OC)cc1 749102308 PZVYNAKJEDKBIL-ONNFQVAWSA-N 437.517 5.069 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nc(C4CC4)no3)cc2)cc1 751825824 CFWQLADBEQUVRN-QVKFZJNVSA-N 428.492 5.089 30 20 IKED Cc1ccc(C)c(-c2nn(CN3CCC[C@@H]3[C@H](C#N)c3ccccc3)c(=O)c3ccccc23)c1 751933467 VUMVTMBVXZEMOH-KAYWLYCHSA-N 448.570 5.410 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 752614733 GGYSMUDBFSMKKO-GAJHUEQPSA-N 446.617 5.240 30 20 IKED C=CCn1c(SCC(=O)O[C@H](C)c2ccncc2)nnc1-c1ccc(Cl)cc1Cl 757662586 HKNZXNRWQADLGG-CYBMUJFWSA-N 449.363 5.229 30 20 IKED Cc1nnc(SCc2c(C(=O)OCc3cc(F)ccc3C#N)oc3ccccc23)s1 759358053 PJAFSLWEOMDLSH-UHFFFAOYSA-N 439.493 5.253 30 20 IKED CC(=O)N(c1nc(/C=C2/C(=O)c3cccc4c3[C@@H]2CCC4)cs1)c1ccc(F)cc1F 763291295 VYZZZVUJJCVMKE-HDZGYNCQSA-N 436.483 5.806 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCC(O)(c3ccccc3C(F)(F)F)CC2)c1 765278466 PTPAGVVQDGUGAM-UHFFFAOYSA-N 434.458 5.176 30 20 IKED CSc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3)n2)c(Cl)c1 765604678 FMUXGCBCMJAFMA-BJMVGYQFSA-N 446.956 6.238 30 20 IKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)csc1Br 773980633 UCRCYTOAMHDSMS-SECBINFHSA-N 432.126 5.087 30 20 IKED N#C[C@H](C(=O)CCCC(=O)c1ccc(Br)cc1)c1nc2cc(F)ccc2s1 774088117 BKCKPFPVDPNZGM-OAHLLOKOSA-N 445.313 5.427 30 20 IKED CC1(C#N)CCN(C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)c2cccs2)CC1 781027733 NHYZRADJYZKTAS-HKOYGPOVSA-N 442.584 6.020 30 20 IKED CCOc1ccc(C(C)(C)C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1OCC 783359262 SRTFPXXUPKKBMU-INIZCTEOSA-N 441.478 5.383 30 20 IKED Cc1c(C(=O)[C@@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cnc2ccccc12 787053315 QJWMEVXIAUIURC-CXAGYDPISA-N 426.303 5.050 30 20 IKED COc1ccc2nc(C=Nn3c(S)nnc3-c3cc(Cl)ccc3Cl)sc2c1 788705737 ZRHXGPABXYJVDJ-UHFFFAOYSA-N 436.349 5.041 30 20 IKED COc1cccc(NC(=O)[C@@H](OC(=O)C[C@@H](CC#N)c2ccccc2)c2ccccc2)c1 795987902 FALBOMVLIZYWHF-BWKNWUBXSA-N 428.488 5.006 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(c2cccc(Br)c2)CC1 799224696 BQYUERWIPGFNOS-HNNXBMFYSA-N 428.330 5.151 30 20 IKED Cc1cc(Cl)nc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 800523971 AFIYFKAFKQQTDF-IBGZPJMESA-N 425.319 5.674 30 20 IKED COc1ccc(CN(C(=S)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C2CC2)c(OC)c1 800824414 IJTLQKVCSXDHKC-CQSZACIVSA-N 429.973 5.226 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)s1 810460562 SGKAQLCDGSPKJY-ZWKOTPCHSA-N 425.554 5.031 30 20 IKED N#CCOc1cccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 810532191 PDMKMGPLRQRIQY-QGZVFWFLSA-N 442.327 5.438 30 20 IKED CC(C)NC(=O)c1ccc(Cl)c(NCc2cccc(OCc3cccc(C#N)c3)c2)c1 863998708 PUCXFYHKZKJRTL-UHFFFAOYSA-N 433.939 5.541 30 20 IKED Cc1cccc2sc(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)c(Cl)c12 875314093 WKJAQRRLENPLTC-NSHDSACASA-N 444.965 5.469 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@@H](C)c2cc(C)sc2C)cc1 914694527 NEVOLRASTAYYJV-MGPUTAFESA-N 441.622 5.035 30 20 IKED CCOc1cc(/C=C\C(=O)c2cnc3sc(C(=O)OC)c(C)c3c2)ccc1OC(F)F 914773443 HXHYRFKPAMGYAO-ALCCZGGFSA-N 447.459 5.288 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=S)Nc2ccc(SC(F)F)cc2)cc1 915124745 VJASZFZKCBHPAF-FQEVSTJZSA-N 425.529 6.466 30 20 IKED C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@@H]2c2nc3ccccc3s2)c1=S 915202020 ORQQPNGTMFPDPZ-HXUWFJFHSA-N 447.633 5.595 30 20 IKED CCOC(=O)N1C/C(=C\c2ccc3ncccc3c2)C(=O)/C(=C/c2ccc3ncccc3c2)C1 916137495 ZKSSQMJHRCITMP-DFEHQXHXSA-N 449.510 5.291 30 20 IKED CCN(CCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(=O)OC(C)(C)C 916630907 WKGLBZDAKPNXPJ-JOCHJYFZSA-N 436.556 5.111 30 20 IKED Cc1cc(O[C@@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1Cl 916888186 SQWSRHXUYNKPII-LRDDRELGSA-N 438.883 5.078 30 20 IKED C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917047530 ZJCCYJSMULVCKT-NHYWBVRUSA-N 447.944 5.025 30 20 IKED C=CCn1c(-c2ccccc2F)nn(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c1=S 917430649 QSEVWQJJFRRPPL-QGZVFWFLSA-N 449.555 5.384 30 20 IKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 918276723 HMRXMQJLZZVMLE-ZEQRLZLVSA-N 425.532 5.184 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(C3SCCCS3)cc2)cc1 919825755 VYBHQZBTUDVQKE-UHFFFAOYSA-N 432.570 6.472 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c[nH]nc4c3)cc2)CCC1 1788449932 GASLGTAVTIWKBQ-JOCHJYFZSA-N 428.536 5.079 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CNc4ccccc43)CCC2)cc1 1789626456 XWKPLFVZINFJFZ-JOCHJYFZSA-N 431.580 5.322 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)C[C@@H]4C[C@@H]5CC[C@H]4C5)cc3)CCC2)c1 1791322948 CDYPGTGKEKTNOJ-CBQOVEMMSA-N 427.548 5.132 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)cc2)CCC1)C(F)(F)F 1791534087 RJRLNDHBNJACGP-WOJBJXKFSA-N 428.454 5.043 30 20 IKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CC4)CCC3)cc2)cccc1C(F)(F)F 1792169039 UIWLFEDFEARDEV-UHFFFAOYSA-N 441.453 5.065 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc4cc(C)ccc4[nH]3)CC2)C1 1804858380 BIEMMQRZSLVWHN-UHFFFAOYSA-N 435.612 5.314 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 1811954974 PRQRLHHQPDWPFN-CYXNTTPDSA-N 445.607 5.293 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccccc3n2C)n[nH]1 1818435500 OBCHWYWHDMHPAA-OAQYLSRUSA-N 447.583 5.200 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccccc2)[nH]n1 1819556665 JRSBUKVAFZFKIO-VWPQPMDRSA-N 434.584 5.198 30 20 IKED CC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C)cc(C#N)c3)n[nH]2)CC1 1821326205 ORQNQIKHGXDDKI-KKLQWCBXSA-N 447.583 5.112 30 20 IKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1822399777 OEHMNBJJDNEYGV-GOSISDBHSA-N 438.915 5.205 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823215398 QRBLYCFVMQSNEE-GCJKJVERSA-N 447.583 5.335 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)c2cccs2)CC1 1832139603 HJMIQXZZDWVONR-SIKLNZKXSA-N 428.642 5.240 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)n(C)c1C)=C(/S)Nc1cccc(Cl)c1C 11258174 HTQDBVQXWGGING-UHFFFAOYSA-O 441.020 5.505 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2cccc(CO)c2)c1 11263891 CQNLHVMRABMKFJ-UHFFFAOYSA-O 433.597 5.258 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1Cl 16405529 JECWYVJMYIOFEG-UKTHLTGXSA-N 435.907 5.571 30 20 IKED C=CCSC1=N/C(=C\c2ccc(N(C)C)cc2)C(=O)N1c1ccc(OC(F)F)cc1 18482211 HRTWVLCSFAJCQR-RGEXLXHISA-N 429.492 5.017 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nnc1-c1ccoc1C 23519599 QZOCBJZZYKWLAK-ZBFHGGJFSA-N 436.537 5.137 30 20 IKED C=CCn1c(SCc2ccc(Br)cc2F)nnc1-c1ccccc1OC 33474762 JAHGGYGBMUHEIU-UHFFFAOYSA-N 434.334 5.334 30 20 IKED CCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC 60488305 AUAJDNSVDLQKKZ-INIZCTEOSA-N 426.925 5.669 30 20 IKED C=CCc1cc(CNC(=O)Cc2csc(-c3ccc(Cl)s3)n2)cc(OC)c1OC 65063771 CAIPWQRENJPLSN-UHFFFAOYSA-N 448.997 5.130 30 20 IKED C=CCc1cc(CNC(=O)Nc2c(C)cc(Br)cc2C)cc(OC)c1OC 65368402 ABOINNAZFDUYSN-UHFFFAOYSA-N 433.346 5.133 30 20 IKED CCCn1c(S[C@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)nnc1-c1ccncc1 214326816 PWIZBHBQDYJZHX-VULIGXMUSA-N 447.608 5.111 30 20 IKED N#Cc1cccc(OCCSC2=N/C(=C\c3ccccc3)C(=O)N2c2ccc(F)cc2)c1 215990349 LPPOQQHCHUPWFB-KQWNVCNZSA-N 443.503 5.253 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N(CCc3ccccc3)Cc3cccnc3)c2)cc1 303198189 NOWLZWLGBCEHOH-UHFFFAOYSA-N 433.511 5.631 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 303653187 KYHGDZCHTTUPHB-INIZCTEOSA-N 447.947 6.508 30 20 IKED N#CCCSc1ccccc1NC(=O)[C@@H]1C[C@]12CCc1cc(Br)ccc12 409675243 IYFJLCLUAUSWGO-UWJYYQICSA-N 427.367 5.297 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc(Cc2ccccc2)no1 429053676 FGGINRRFHGLYSO-QGZVFWFLSA-N 439.475 5.207 30 20 IKED N#Cc1ccc(CN(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C2CC2)cc1 431211996 JKHHVNABBDZMRO-IYARVYRRSA-N 442.332 5.080 30 20 IKED C[C@H]1c2cc(Cl)cc(Cl)c2CCN1Cc1cn(CCC#N)nc1-c1ccncc1 435129002 KODZHTXFZRKTBL-HNNXBMFYSA-N 426.351 5.285 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)s2)cc1OC 435359300 SGLSWEQSACVHBR-UHFFFAOYSA-N 437.521 5.047 30 20 IKED Fc1ccc(Cn2cc(CN[C@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)cn2)cc1 436402284 VHOOXJCJMBHPRB-LJQANCHMSA-N 445.382 5.873 30 20 IKED C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)Nc3cccc(OCCCC#N)c3)c2)C1 437045193 NXPZKGFIJYBNOS-WMZHIEFXSA-N 449.551 5.042 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 439345483 FDEFMGMDKZEADS-UHFFFAOYSA-N 446.347 5.256 30 20 IKED N#Cc1cccnc1-n1cc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cn1 461282864 JOYSTKPKEPWKAL-UHFFFAOYSA-N 433.393 5.077 30 20 IKED N#Cc1ccc(C2=CCN(c3nnc(-c4ccc(C#N)cc4)n3Cc3cccs3)CC2)cc1 461296477 FWCQMLIVFXEDAZ-UHFFFAOYSA-N 448.555 5.092 30 20 IKED COCC1(C#N)CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2cccs2)CC1 461481562 AZWZUOINFKSKKF-UHFFFAOYSA-N 449.624 5.109 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ncc(-c3ccccc3)cn2)cc1 461743207 SMUUCEKYCZRTMX-UHFFFAOYSA-N 436.540 5.238 30 20 IKED N#CCCn1cc(CNCC2(c3cccc(C(F)(F)F)c3)CCC2)c(-c2ccccc2)n1 462767357 LTCXDBFDCUXWAL-UHFFFAOYSA-N 438.497 5.694 30 20 IKED C=CCn1c(SCC(=O)Nc2ncc(C(C)(C)C)s2)nnc1-c1ccc(Cl)cc1 464088448 QFTUNUOKJBHVIW-UHFFFAOYSA-N 448.017 5.269 30 20 IKED C[C@H]1CCCN1CC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccccn1)CC2(C)C 464837056 WZRWZHURFXOZQH-FVNWOWOISA-N 432.593 5.216 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(F)c(Br)c2)cc1C 464962491 UIOSPWCXCAKHOB-UHFFFAOYSA-N 441.304 5.235 30 20 IKED N#C[C@H](NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc(Cl)cc1 468931396 KMBMSOVMJIZMEM-KRWDZBQOSA-N 449.725 5.401 30 20 IKED CC(=O)c1ccc(C#N)cc1N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469561203 YFJLFNGTCYLCTC-LJQANCHMSA-N 442.359 5.376 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2nnc(C3CCCC3)o2)cc1Cl 471225912 IQRQQMJGZLADLR-FQEVSTJZSA-N 434.927 5.607 30 20 IKED N#C[C@@H](C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)c1nc(-c2ccccc2)cs1 472393375 AXKAUIOOXMENNV-KRWDZBQOSA-N 438.434 5.505 30 20 IKED Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccccc1-c1ccc(Cl)cc1Cl 473353008 TYZRDDLRGBAONP-UHFFFAOYSA-N 438.314 5.095 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccnc2-c2ccc(Cl)s2)o1 474516219 PMIOLFSLGZFUBH-UHFFFAOYSA-N 435.892 5.759 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1oc2ccccc2c1CSc1ncccn1 476078022 FVKGFZKCDDECGD-UHFFFAOYSA-N 443.572 6.619 30 20 IKED CC(C)([C@@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1ccc(F)c(F)c1)N1CCCC1 476619290 TZOSRMMJKWOWNI-DVECYGJZSA-N 425.523 5.084 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)nnc1-c1ccco1 477557306 BCCPCQDPCKPNLI-AWEZNQCLSA-N 426.929 6.194 30 20 IKED Cc1nc(CN(C)C(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)cs1 479667524 QXLHYOSWDQHMGB-UHFFFAOYSA-N 440.594 5.062 30 20 IKED Cn1c(CC#N)nnc1Sc1nc(-c2ccsc2)nc2scc(-c3ccccc3)c12 480859397 XCHKRHIBCGXVBZ-UHFFFAOYSA-N 446.586 5.433 30 20 IKED Cc1ccc(O[C@H](C)C(=O)N(Cc2ccco2)c2ccccc2C#N)c(Br)c1 482180114 JYXCNRBMAIIEGH-MRXNPFEDSA-N 439.309 5.223 30 20 IKED O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)N[C@H](c1ccc(F)cc1)C(F)(F)F 483695516 TYSWLEJVZACGLP-CYBMUJFWSA-N 448.298 5.320 30 20 IKED Cc1cc(Br)cc(C)c1N(CC(F)F)C(=O)c1ccc(C(C)(C)C#N)cc1 484086402 ZNJFYZSLAYYMPP-UHFFFAOYSA-N 435.312 5.779 30 20 IKED Cc1c(C(=O)N[C@@H](CCCC#N)c2ccccc2)cnn1-c1ccc(Br)cc1 487442461 CRETZBGADSQUQF-NRFANRHFSA-N 437.341 5.108 30 20 IKED CC[C@H](C)c1ccc([C@H](NC(=O)CCc2c(C)nn(CCC#N)c2C)c2cccs2)cc1 493665373 CWYSLEDPCHUXSA-QYBDOPJKSA-N 448.636 5.827 30 20 IKED Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3c[nH]c4ccccc34)n2C[C@@H]2CCCO2)cc1 494102962 FKNKQYMIAHWBFG-PMACEKPBSA-N 443.576 5.141 30 20 IKED N#C[C@@H](C(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1nc2ccccc2s1 497788905 BQRDTFPPDVCXLP-INIZCTEOSA-N 426.526 5.701 30 20 IKED CCN(C(=O)CCCCOc1cccc(C#N)c1)[C@H](c1ccc(Cl)cc1)c1ccccn1 497884389 QMXOYRCOMDZFTO-AREMUKBSSA-N 447.966 5.794 30 20 IKED C[C@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)C(=O)NC1(C#N)CCCCC1 499827770 HJPRUTMRCSNFBY-INIZCTEOSA-N 434.540 5.259 30 20 IKED C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)o1 500123671 LPNIAUJTPRNHAS-ZCPGHIKRSA-N 436.562 5.161 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3[C@H]4C=C(c5ccccc5)C[C@H]3CC4)c2)c1 502164737 BRTZKDUDHSZZAP-CLJLJLNGSA-N 448.526 5.663 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N(CCC#N)Cc1ccco1 502411356 AKBWKRQXABRFPR-UHFFFAOYSA-N 445.903 5.250 30 20 IKED C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 502844871 NBGSCNWSLGXLSD-FGZHOGPDSA-N 448.611 5.211 30 20 IKED C=CCn1c(S[C@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)nnc1-c1cccnc1 503711814 NZDHYPLCECIGHI-DEOSSOPVSA-N 440.572 5.859 30 20 IKED COc1ccccc1NC(=O)CSc1nc(-c2ccc(C)o2)cc(C(F)(F)F)c1C#N 504571537 WOXMGUGOKFYFSI-UHFFFAOYSA-N 447.438 5.280 30 20 IKED C=CCCc1ccccc1NC(=O)c1c[nH]c2c(Cl)cc(Br)cc2c1=O 507148365 GOJKSJMFORGKLH-UHFFFAOYSA-N 431.717 5.315 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 507837651 OFSLNZHACGFEOM-OAHLLOKOSA-N 446.894 5.323 30 20 IKED CCOc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 508289585 PIPWENCPSKZUQT-UHFFFAOYSA-N 431.492 5.422 30 20 IKED N#C[C@H](NC(=O)c1cccc(COc2cccc(F)c2)c1)c1ccc(Br)cc1 510064000 UGPHSNWJMACFQC-NRFANRHFSA-N 439.284 5.162 30 20 IKED Cc1nnc([C@H]2Cc3ccccc3CN2Cc2cccc(OCc3cccc(C#N)c3)c2)o1 511106155 KZUPYLXVRWTGRF-AREMUKBSSA-N 436.515 5.128 30 20 IKED Cc1nc(CSc2ccc(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)cc2)cs1 511720550 LVXXPRNAZORRDX-UHFFFAOYSA-N 449.536 5.193 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@](CO)(c3ccccc3)C2)c1 513098271 DEHBVUDEGKXVHZ-SANMLTNESA-N 446.934 5.170 30 20 IKED Cc1ccc2c(C3=CCN(C(=O)NCCSCc4ccccc4C#N)CC3)c[nH]c2c1 514453938 VMQHGGGSWJARBJ-UHFFFAOYSA-N 430.577 5.080 30 20 IKED CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 514886079 CSCNIPOUDJWNHN-UHFFFAOYSA-N 444.409 5.006 30 20 IKED N#Cc1c(NC(=O)Cc2csc(-c3cccnc3)n2)sc2c1-c1ccccc1CC2 515626071 NYVLDDFCTKEMBP-UHFFFAOYSA-N 428.542 5.085 30 20 IKED CN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C1CCCCCC1 515941649 FMSKKMRAJLZUFW-UHFFFAOYSA-N 425.916 5.124 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccc(Cl)cc4)s3)n2)cc1 516270134 NIJAUAUWVKIGPY-GOSISDBHSA-N 445.956 6.554 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H]2C2CCCC2)cc1Cl 517325481 QLTMWVNFKFUOAZ-GGAORHGYSA-N 435.955 5.115 30 20 IKED Cc1ccc(/C=C/c2cc(C(=O)N(C)C[C@H](C)C#N)c3cc(Br)ccc3n2)o1 517939544 ZIZXCMRCLCZZRM-IZPAUZPXSA-N 438.325 5.301 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(NC[C@@H]4CCCO4)c(F)c3)c2)cc1 523515836 ATXNSEFXXOZVCC-QFIPXVFZSA-N 430.483 5.284 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCSC[C@H]2c2ccccc2)cc1Cl 523768703 ZFJSJDZNKSINCF-VWNXMTODSA-N 447.991 6.317 30 20 IKED CN(Cc1nccn1CC(F)(F)F)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 523945357 ACAVURSJMANQIJ-UHFFFAOYSA-N 448.832 5.035 30 20 IKED COc1c(Br)cc(Cl)cc1NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C 524429927 FWWXJFQXRNXJSE-KRWDZBQOSA-N 437.721 5.025 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C 524438544 JSWVDTCYRVRUEQ-RUZDIDTESA-N 446.526 5.009 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)N[C@@H](C)C(=O)N(CCC#N)c3ccccc3)s2)cc1 525756607 IGJZTTDCBQAERL-HKUYNNGSSA-N 448.592 5.113 30 20 IKED N#Cc1c(NC(=O)c2cc(N3CCCC3=O)ccc2Cl)sc2c1CCCCCC2 534817914 BGBDLPPJBQPEOK-UHFFFAOYSA-N 427.957 5.311 30 20 IKED Cc1c(NC(=O)c2ccc(C3(C#N)CC3)cc2)cccc1C(=O)N1CCc2sccc2C1 540698910 XAFAROANSBYBBL-UHFFFAOYSA-N 441.556 5.063 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C 541018542 FUIIKVPPNHMHHC-CYBMUJFWSA-N 425.275 5.334 30 20 IKED COC(=O)[C@@H](C)Sc1ccccc1C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 541109330 ITXGGIPUTHUHKC-QZTJIDSGSA-N 444.556 5.370 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 551829530 AAKLIPNCOQFRCS-ZDUSSCGKSA-N 430.455 5.237 30 20 IKED Cc1cc(C#N)nc(Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccco2)n1 553245367 UOJLVOULIWSBCG-UHFFFAOYSA-N 430.537 5.005 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3sc(C4CC4)nc3-c3ccccc3)CC2)c(F)c1 553540803 VZIMTXKJEVEKPL-UHFFFAOYSA-N 447.535 5.382 30 20 IKED COCCC[C@H](CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1ccc(Cl)cc1 558104871 LQQLRVHBRUZXAK-JRFVFWCSSA-N 439.987 5.332 30 20 IKED N#Cc1ccc(-c2nnc(N3CC[C@@H](c4cccc(F)c4)C3)n2Cc2cccs2)cc1 559165815 OTWBSMHQTLSKOJ-HXUWFJFHSA-N 429.524 5.060 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 561226448 WCLSVYANAOKHNJ-UHFFFAOYSA-N 435.398 5.149 30 20 IKED CSc1cccc(F)c1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 562134013 QKZZLCVIRQKOTM-UHFFFAOYSA-N 435.524 5.514 30 20 IKED COC(C)(C)c1nc(C)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)s1 562572458 HVEADYMVRUCCMV-UHFFFAOYSA-N 439.512 5.175 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3ccc(F)c(NC(=O)C4CCCCC4)c3)on2)c1 562600479 RLKWNVCTYRIUNQ-UHFFFAOYSA-N 432.455 5.123 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccn(-c2ccc(Br)cc2)n1 569387167 WMQZTYNFJSNTHQ-AWEZNQCLSA-N 441.354 5.139 30 20 IKED C=CCC1(C(=O)N2CC(CN3CC(C)(C)c4ccc(-c5cnn(C)c5)cc43)C2)CCCCC1 570817999 CSBKMJPCBKKFAX-UHFFFAOYSA-N 446.639 5.170 30 20 IKED Cc1cc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)n(-c2ccc(C(F)(F)F)cn2)n1 589339740 KBEDZDFIJHLFDZ-UHFFFAOYSA-N 432.299 5.005 30 20 IKED CN(Cc1ccccc1OC(F)(F)F)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603690790 WYWOHPOMSKNDIQ-UHFFFAOYSA-N 442.397 5.308 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl 603759171 WIMNLCIBTPJKLI-GOSISDBHSA-N 426.259 5.809 30 20 IKED Cc1sc(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)c(C#N)c1C 603776431 ZQCISBBJVWYVJM-UHFFFAOYSA-N 428.311 5.439 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 603968963 PUVCXVRCKNGXSL-UHFFFAOYSA-N 439.422 5.139 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(c4ccc(O)cc4)CC3)cc2Cl)cc1 604088128 DMEYRODYDRYQCZ-UHFFFAOYSA-N 448.910 5.064 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 609061958 MQSDGSSRBMPLNA-VWLOTQADSA-N 442.515 5.256 30 20 IKED CCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cnn1C(C)(C)C 609062448 QLFUQACFBVMKPY-UHFFFAOYSA-N 436.943 5.557 30 20 IKED COc1cc(C)ccc1OCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609062625 DPYUENREGOMLTN-UHFFFAOYSA-N 436.895 5.125 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)NCc2ccc(C#N)cc2F)c(C(F)(F)F)c1 609252148 CXFKAGKZWDLLAZ-GFCCVEGCSA-N 425.451 5.928 30 20 IKED CCCCOc1c(Cl)cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC 609427703 DGVWTPQMMDBCMY-HNNXBMFYSA-N 432.973 6.174 30 20 IKED CCCC(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 609434406 GDLQFOBLBMBFSL-UHFFFAOYSA-N 428.492 5.411 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(CN4CCOCC4)c3)cc2Cl)cc1 609521429 DHFXWPBQWSKMBV-UHFFFAOYSA-N 447.922 5.088 30 20 IKED C[C@@H]1CCC[C@H](OCC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)C1 609576130 SLWQEDXUEIWWIC-CJNGLKHVSA-N 437.487 5.158 30 20 IKED CC(=O)Nc1cccc([C@@H](C)NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 609723242 WIIHJDMGDREOSF-OAHLLOKOSA-N 433.895 5.453 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCO[C@@H](c3cccc(F)c3)C2)c1 609731499 ZNVSXINPZHFOFG-HSZRJFAPSA-N 436.870 5.357 30 20 IKED CCC[C@H](NC(=O)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C1CCCCC1 609943920 DCTXINBTGNSXJB-DEOSSOPVSA-N 447.579 5.135 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1cccc(C#N)c1 610324639 PTHAEJMHRLQUGK-ZDUSSCGKSA-N 444.388 5.786 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N[C@H](C)c1cccc(C#N)c1 610359062 DRFVNRMMWUDKOE-CYBMUJFWSA-N 427.335 5.088 30 20 IKED N#C[C@@H](C(=O)c1ccc(OC(F)(F)F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 613404910 WKCOGXOGSLLSEK-LBPRGKRZSA-N 430.329 5.704 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cnc2c(F)ccc(F)c2c1 645071190 JCBUOESBECWWKG-URLYPYJESA-N 426.307 5.152 30 20 IKED O=C(Nc1cc(Cl)ccc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 672810875 KFDNCZYCKDEOGZ-YUMQZZPRSA-N 442.709 5.953 30 20 IKED O=C(Nc1ccc(Cl)cc1OCC(F)F)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 672878362 PPBYPSGAVJXJND-DTORHVGOSA-N 440.718 5.188 30 20 IKED C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 679554809 DIJXBDDMTHRFOR-DGCLKSJQSA-N 430.364 5.298 30 20 IKED COc1ccc(N2CCC(NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)cc1 726695867 ISBZNHTZBZHZIN-SANMLTNESA-N 440.547 5.141 30 20 IKED O=C(NCc1ccncc1)Nc1cccc(C/N=C/c2cc(Cl)cc(Cl)c2O)c1 726893330 ZSMAPRPLIGVICR-DHRITJCHSA-N 429.307 5.035 30 20 IKED N#Cc1cccc(COc2ccc(NC(=S)Nc3ccc4c(c3)OCCCO4)cc2F)c1 728175249 NKMCOJIDXOQZPV-UHFFFAOYSA-N 449.507 5.247 30 20 IKED Cc1csc([C@@H](C#N)C(=O)[C@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)n1 730393836 CMWDUWGNQGSQSQ-HNAYVOBHSA-N 433.385 6.468 30 20 IKED N#C[C@H](C(=O)c1sccc1SC(F)F)c1nc(-c2ccc(Cl)cc2)cs1 730687204 MBGLIXRTSMXAEJ-LLVKDONJSA-N 426.922 6.330 30 20 IKED C#CCN(C(=O)Nc1cccc(Cl)c1F)[C@H]1CCOc2ccc(Br)cc21 733617957 OKKSOPSMXRLQKQ-INIZCTEOSA-N 437.696 5.233 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2ccc(C)cc2)c2ccc(OC)cc2)c1 733807475 VFSUTQBAFRRAMZ-BVAGGSTKSA-N 443.547 5.273 30 20 IKED C=CC[C@H](NCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccncc1 734509533 LJAHQQRWZPLMOF-QFIPXVFZSA-N 426.347 6.048 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)NCc3ccc(OC4CCCC4)nc3)c2)s1 740036346 RCFSYVFZNZQPRR-UHFFFAOYSA-N 432.549 5.003 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl 740786597 RFKNRRVWRHBCGS-CQSZACIVSA-N 445.972 6.334 30 20 IKED O=C(Nc1cccc(/C=C\C(=O)c2c(Cl)nc3sccn23)c1)c1ccccc1Cl 741849543 WXFYMDGHWJVLSE-HJWRWDBZSA-N 442.327 5.851 30 20 IKED N#Cc1ccc(F)c(CNCc2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)c1 742383445 NROBIISZBSICGM-UHFFFAOYSA-N 430.914 5.552 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)c2occc2COc2cccc(C#N)c2)cc1 742765273 DNQHDAPHMXCXLT-UHFFFAOYSA-N 448.475 5.321 30 20 IKED N#C[C@H](C(=O)CCCOc1ccc(F)cc1F)c1nc(-c2ccc(Cl)cc2)cs1 743446611 ABPBWFRMPJNFEA-MRXNPFEDSA-N 432.879 5.777 30 20 IKED Cc1cccc2c(CCC(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c[nH]c12 744027902 DYISBUJCWWNLKJ-JOCHJYFZSA-N 437.499 5.549 30 20 IKED C=CCn1c(SCc2cccc(NC(=O)OC(C)(C)C)c2)nnc1-c1ccoc1C 746468762 MWXDRVVGPOOUEE-UHFFFAOYSA-N 426.542 5.672 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 747107508 FUBQSVGOBHRUPQ-ZDUSSCGKSA-N 449.841 5.443 30 20 IKED CCOc1c(Cl)cc(C=NO[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc1OC 747827448 NGZFWFCXEYYZAF-LBPRGKRZSA-N 436.295 5.562 30 20 IKED CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cc(C#N)cs2)NC(=O)N1Cc1cccs1 747961725 YVRQMDIEZXYPGW-OAQYLSRUSA-N 448.573 5.169 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 752617372 QLMNRMCPGJKCKR-HXOBKFHXSA-N 446.617 5.097 30 20 IKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(C(F)(F)F)ccnc1Cl 759393854 XRMTWHDNZSNLGL-UHFFFAOYSA-N 436.661 6.044 30 20 IKED N#Cc1ccccc1-c1ccc(COC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)cc1 761957342 LRVVJALHHWXZBQ-UHFFFAOYSA-N 443.890 5.605 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cccn1[C@H](C)Cc1ccccc1 773769778 LBFDXCXIZOLQOA-IEBWSBKVSA-N 449.938 5.223 30 20 IKED N#Cc1ccc(COC(=O)CCCc2ncc(-c3ccccc3)o2)c(Br)c1 778103812 XTNQRHDJEWBSDS-UHFFFAOYSA-N 425.282 5.042 30 20 IKED O=C(N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccc(C(F)(F)F)nc1Cl 779099634 LLQHOWPSBQJCAF-NSHDSACASA-N 448.697 5.389 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21 779704298 CKSOGBKPSPRFDE-JOCHJYFZSA-N 434.540 5.124 30 20 IKED C=CCCO[C@H](C)C(=O)Nc1cc(Br)cc(C)c1NC(=O)OC(C)(C)C 784692686 UOSIKQCJPGWQBZ-CYBMUJFWSA-N 427.339 5.024 30 20 IKED CC(C)(C)n1cc(/C=C2/CCc3nc(-c4ccc(Br)cc4)sc3C2=O)nn1 790220514 XNYHUKSULSBYAW-RAXLEYEMSA-N 443.370 5.132 30 20 IKED COc1cccc(C(=O)/C(=C\c2cnn(-c3ccc(C(F)(F)F)cc3)c2)c2ncc[nH]2)c1 794707733 MRHRELOKIXILCG-RGVLZGJSSA-N 438.409 5.046 30 20 IKED C=CCn1c(=S)sc2c(=O)n(Cc3cccc(SCc4ccccc4)c3)cnc21 804902520 JVYZQLPHYMMOBF-UHFFFAOYSA-N 437.615 5.516 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCSc1cccc(Cl)c1 808979513 JJLAHNMYKHFFAX-HNNXBMFYSA-N 437.348 5.140 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)s1 813445599 BXIOGJRZBMKVET-QGZVFWFLSA-N 427.570 5.412 30 20 IKED Cc1nnc(CON=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)o1 849895714 LSCOWNUPYJBDNF-UHFFFAOYSA-N 429.476 5.087 30 20 IKED CC(C)c1noc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1 915101742 HUJFDSXXUFMJSS-CYBMUJFWSA-N 435.336 5.432 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102182 OCRDYIABFQPPAA-LRDDRELGSA-N 442.327 5.632 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1 915102518 VUNQZOAWYYLUNB-IBGZPJMESA-N 433.533 5.325 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl 916924675 DQPHRYSGKFPOEW-OCCSQVGLSA-N 437.348 5.220 30 20 IKED Cc1cccc(COc2cccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)c2)c1 916937880 HKJKFDREYDNPRF-HXUWFJFHSA-N 436.870 5.328 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(-n3cccn3)cc2)cc(Br)c1OC(F)F 917143063 GTMXRUJISVAAPH-BAQGIRSFSA-N 449.251 5.141 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 917404418 OWSJBCDINAOSTR-UHFFFAOYSA-N 439.450 5.109 30 20 IKED Cn1c2ccccc2c2cc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)sc21 920806683 NUNGEBLFBIEDDO-CQSZACIVSA-N 449.507 6.285 30 20 IKED COc1ccccc1-c1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c(O)n1 1527423571 IIXRXTCHJVSVOY-UHFFFAOYSA-N 427.485 5.315 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3nccc4occc34)cc2)CCC1 1788339874 AMKCQIZRJAFCHI-UHFFFAOYSA-N 431.536 5.568 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Nc3ccccc3)cc2)CCC1 1789467976 NAFALFXXZOJOEZ-HYBUGGRVSA-N 431.580 5.390 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)[nH]n3)cc2)CCC1 1790127171 LAPHVQXITVTKAW-GOSISDBHSA-N 428.536 5.037 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@H]4Sc5ccccc5[C@H]43)CCC2)cc1 1791729003 LDYZXFLDASXUGT-SDHOMARFSA-N 444.600 5.202 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3nc(C(C)C)cs3)C2)CC1 1807343665 BVONDFRXVDURTL-UHFFFAOYSA-N 431.646 5.104 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C)c(OC)c2)n[nH]1 1820601860 QNGOLOHYXAFUNI-HXUWFJFHSA-N 438.572 5.025 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)[nH]n1 1821920589 IUPFHDHSUNRGCH-KSSFIOAISA-N 440.544 5.282 30 20 IKED Cc1cscc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823213144 UONCJWAOJYJVAP-VFNWGFHPSA-N 447.564 5.026 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1 1831370377 RPIPXXUCTLHXPI-VWEINGBSSA-N 442.566 5.187 30 20 IKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ccccc23)CC1)C(F)(F)F 1831452359 BZXUGYQPIPRVMG-JOCHJYFZSA-N 444.497 5.192 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(Cl)c(C(F)(F)F)c1 1847263778 PJTMUBKCOBLJBL-ROUUACIJSA-N 442.909 5.167 30 20 IKED C=CCn1c(SCc2ncc(-c3ccc(F)cc3)o2)nnc1-c1ccc(Cl)cc1 10240419 UOJGPCVVPUOFAW-UHFFFAOYSA-N 426.904 5.871 30 20 IKED C=CCn1c(SCC(=O)N[C@H](c2ccc(F)cc2)C(C)C)nnc1-c1ccc(F)cc1 10498728 LRLGOGRCCFILGQ-NRFANRHFSA-N 442.535 5.015 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2ccc(F)cc2)cc1 10829022 QWKUBFKLOMVHRB-UHFFFAOYSA-O 435.588 6.024 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)nnc1-c1ccc(F)cc1 22100708 KUAOIPJCFLGLGZ-IRXDYDNUSA-N 438.572 5.903 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)cc(C3CC3)nc21 23120653 ULWWREJGVLUKPV-UHFFFAOYSA-N 428.521 5.137 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)NCc2ccccc2)cc1 23604118 HSUDUKXMNPNGQD-UHFFFAOYSA-O 434.629 5.551 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1ccc(-c2ccccc2F)o1 46667959 VNVGRKUXTSTSLE-UHFFFAOYSA-N 441.462 6.024 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1c(-c2c(F)cccc2Cl)noc1C 62888372 JHWJWKAIHFAKEL-UHFFFAOYSA-N 429.835 5.179 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N2CC=C(c3cccc4ccccc34)CC2)c1C#N 63691272 REEJLUHZFBHSKL-UHFFFAOYSA-N 425.557 5.635 30 20 IKED FC(F)(F)C(C(F)(F)F)C(F)(F)COCC(F)(F)C(C(F)(F)F)C(F)(F)F 79370770 IDSHNKGQGBGNNA-UHFFFAOYSA-N 446.125 5.755 30 20 IKED C[C@H](C#N)Oc1ccc(/C=C(/Cl)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)cc1 110656607 LDUXEKPMRNTQFQ-GFQQVXNGSA-N 439.949 5.741 30 20 IKED CC1CCN([C@@H](CNCc2cn(CCC#N)nc2-c2ccccc2)c2cccs2)CC1 236728892 OQJJMBVEESOWHL-QHCPKHFHSA-N 433.625 5.088 30 20 IKED N#Cc1ccc(NC(=O)CCSc2nnc(-c3ccco3)n2-c2ccccc2)cc1Cl 247695439 ZPTCRKFCMNCQFY-UHFFFAOYSA-N 449.923 5.173 30 20 IKED C=C(C)CN1CCC(NC(=O)c2sc3cccc(F)c3c2COc2ccccc2)CC1 303296637 PECOUTSGICCQJD-UHFFFAOYSA-N 438.568 5.390 30 20 IKED C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(OCCCC#N)c1 303443985 IHPITWQMZHHJOC-VEXUSMLFSA-N 445.563 5.092 30 20 IKED CC(C)(NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc([N+](=O)[O-])cc1 431402490 KGTZBOXVDOKLFE-UHFFFAOYSA-N 444.491 5.297 30 20 IKED C[C@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H]1c1ccc(C(F)(F)F)cc1 435135791 UWEQGFJPZWCQAG-SBUREZEXSA-N 439.485 5.461 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@H](c2ccc(F)cc2)O1 438210391 FJVIESIFJHVASG-MZNJEOGPSA-N 431.467 5.484 30 20 IKED Cc1cc(CN(C)C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)no1 438540370 JNPVTWXROLFNPL-UHFFFAOYSA-N 430.386 5.330 30 20 IKED O=C(Nc1ccc(CCC(F)(F)F)cc1)c1cnn(-c2ccccc2F)c1C(F)(F)F 439657575 DSYMQNZYXQMCEW-UHFFFAOYSA-N 445.338 5.777 30 20 IKED N#CCCCn1cc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c2ccccc21 444029219 BJRGTUITPJRMCM-UHFFFAOYSA-N 444.516 5.092 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c2ccccc21 444032105 OIKFQEHDDGEARI-UHFFFAOYSA-N 428.536 5.214 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)c1C#N 445562645 FMWVHQAJWDYCDS-ZIAGYGMSSA-N 426.904 5.001 30 20 IKED Cc1ccccc1[C@H]1CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@@H](C)CO1 460386597 LAVRWSNDSNLQBE-RXFWQSSRSA-N 426.516 5.048 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCc2[nH]c3ccccc3c2C1 460557597 IUVYDCNPSTYIPN-CPJSRVTESA-N 439.563 5.143 30 20 IKED Cc1ccccc1[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCO1 461832244 ISSRIWGQFLWSAJ-UPVQGACJSA-N 427.552 5.036 30 20 IKED CCC[C@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)c1ccc(Cl)c(Cl)c1 462090054 CFPWPLCQMCHHRM-SFHVURJKSA-N 429.311 5.109 30 20 IKED COCCOCc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 464193506 PZLDRLFETARGAJ-IBGZPJMESA-N 426.925 5.117 30 20 IKED Cc1ccc(F)c(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1Br 464669572 JRVHMJHVFQDWJH-UHFFFAOYSA-N 426.245 5.208 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)cc1C 465464108 DCROQWGJSLAQNW-HKUYNNGSSA-N 432.490 5.179 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 466640252 GDYIJIHRQUDEFG-OAHLLOKOSA-N 437.956 5.612 30 20 IKED N#Cc1cc(N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)ccc1[N+](=O)[O-] 469560042 HBBXUGKJRQJMKV-KRWDZBQOSA-N 445.319 5.082 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3Cl)ccc21 469951588 YCBVTLSTZCGPEV-RTBURBONSA-N 442.346 5.319 30 20 IKED Cc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1C(=O)N(C)C(C)C 470450169 VBMIRMVAOCXEQC-UHFFFAOYSA-N 441.531 5.178 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 472441538 YRMJWOINKUNIPS-XPEQFSOGSA-N 426.516 5.223 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C(=O)Nc2ccccc2OC)CC1 475547232 GMSLCXHRHQJQDF-UHFFFAOYSA-N 435.568 5.430 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CSc1nc2ccccc2nc1N1CCCC1 476769859 CWMCWISNYFLOOO-UHFFFAOYSA-N 446.620 5.813 30 20 IKED C=C(C)[C@H](NC(=O)c1ccc(OCc2cscn2)c(OC)c1)c1ccc(F)c(F)c1 478910036 LHRPRFWZIXEABT-NRFANRHFSA-N 430.476 5.056 30 20 IKED COc1ccc(CCCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 481715888 YZSXLBBVVWYAPZ-UHFFFAOYSA-N 433.483 5.039 30 20 IKED C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 482382487 XJJRCYXULVEFDY-QLJPJBMISA-N 438.343 5.572 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)ccc1OCc1ccccc1Cl 483226573 GZIQUPLITPMYMV-SFHVURJKSA-N 443.890 5.361 30 20 IKED N#C[C@H](C(=O)c1cc(Br)sc1Br)c1nccc2ccccc12 483240301 TUQIBPUOGRWSRH-LBPRGKRZSA-N 436.128 5.311 30 20 IKED CN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H](c1ccncc1)c1ccc(Cl)cc1 483646940 SNIWYSIQCCISRB-FQEVSTJZSA-N 442.853 5.461 30 20 IKED Cc1cc(C(=O)N[C@H](CCCC#N)c2ccccc2)c2cnn(Cc3cccs3)c2n1 487617758 NVMSWIYZDIVEJL-JOCHJYFZSA-N 429.549 5.015 30 20 IKED COc1ccccc1NC(=O)c1ccc(NCc2cc(C#N)ccc2Br)cc1 492355874 IGTAIBMFNORLPL-UHFFFAOYSA-N 436.309 5.194 30 20 IKED CN(C)c1cc(C#N)cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 496094395 RNBPWNMJAQZIJJ-KRWDZBQOSA-N 441.343 5.545 30 20 IKED N#C[C@@H](NC(=O)CCC(=O)c1cc(Cl)sc1Cl)c1cccc(Br)c1 496343461 RKDRAVKVXWXMBT-GFCCVEGCSA-N 446.153 5.161 30 20 IKED COc1cccc(C[C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 497769296 PKBPDCZMTQHIHC-IBGZPJMESA-N 429.520 5.207 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 499387765 CEXUVNGSMJZNKQ-UXHICEINSA-N 448.320 5.559 30 20 IKED C[C@H](Nc1cccc(NC(=O)c2ccoc2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 500391299 CHWJMVMPJPRGEC-HNNXBMFYSA-N 448.548 5.173 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)CSCc3ccc(C#N)cc3)c2)cc1 501428285 UYKDQFHLPYRUDK-UHFFFAOYSA-N 427.529 5.075 30 20 IKED N#C[C@H](C(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12)c1nc2ccccc2o1 505457728 NSCGDBVMRGWRDY-QGZVFWFLSA-N 446.491 6.143 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 506745429 XICYVSJSJDJTQE-MRXNPFEDSA-N 448.567 5.223 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N3CCC(C)(C#N)CC3)cc12 507828201 HXRVRPIBKQOYKU-UHFFFAOYSA-N 447.391 5.527 30 20 IKED C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)N3CCN(c4ccccc4C#N)CC3)c2)C1 508274587 MZWAHLLLZMYPJW-GBXCKJPGSA-N 432.568 5.008 30 20 IKED C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 508903544 PAYRHBHUFHBXFE-GUXCAODWSA-N 444.988 5.285 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@@H]3c3ccc(F)cc3)s2)cc1 510259206 XUNOOYNYSIXQQV-GOSISDBHSA-N 439.541 5.210 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 510732394 PVGXIOZKMVRPOK-QFIPXVFZSA-N 443.482 5.009 30 20 IKED CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 515219429 TUSWKHIQRHWDPA-UHFFFAOYSA-N 431.348 5.576 30 20 IKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)[C@H](C#N)c1nc2ccccc2o1 515597251 DIQUYXWGJPTKDH-FQEVSTJZSA-N 437.455 5.655 30 20 IKED C=CCN(Cc1ccccc1)C(=O)CCc1ncc(-c2ccccc2Br)o1 516167629 YMLUTUTUCVIKPC-UHFFFAOYSA-N 425.326 5.252 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](c1ccc(F)cc1)c1ccc(OC)cc1 516262583 OWMPKDIKLKAFOB-RUZDIDTESA-N 434.511 5.330 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1)c1nnc2n1CCCCC2 517386984 XNCNAHPRNMIIQW-OAHLLOKOSA-N 446.454 5.122 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 517520930 ZKYMJZJTEWEJQP-CYBMUJFWSA-N 431.348 5.826 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NC3(c4ccc(Br)cc4)CCC3)cc2)nc1 517655830 YKSPUDJHIKUDOK-UHFFFAOYSA-N 448.320 5.317 30 20 IKED N#C[C@@H](NC(=O)c1ccc(OCC(F)(F)F)cc1)c1ccc(OCc2ccccc2)cc1 517848155 IYOHCUAZIMJOIA-JOCHJYFZSA-N 440.421 5.201 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1 518061223 VWDLAPSXDUTPKR-QGZVFWFLSA-N 446.388 5.725 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 518675564 GRPVVIWWQUSYOG-UZLBHIALSA-N 441.572 5.310 30 20 IKED C=CCN(CCc1ccccc1)C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 519505698 RGLUMFQPYBIOBC-UHFFFAOYSA-N 431.511 5.018 30 20 IKED Cc1ccc(OC2CCN(C(=O)c3cccc(COc4ccccc4C#N)c3)CC2)cc1 522584156 BLGVHLIZYHEEOB-UHFFFAOYSA-N 426.516 5.129 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc(Br)ccc2Cl)c1C 523533176 WBDUJUFSUWZYQP-UHFFFAOYSA-N 429.705 5.029 30 20 IKED C[C@@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1nc2ccccc2n1C(F)F 523590911 JXVKRBHLNAONJR-MRXNPFEDSA-N 431.446 5.109 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cccc(-c2ccc3ccccc3c2)n1 524215400 FIGSIUIRLBEYAQ-UHFFFAOYSA-N 446.514 5.004 30 20 IKED Cc1nn(C)c2sc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)cc12 524389363 BIVZXQNWKRHHEJ-UHFFFAOYSA-N 436.924 5.300 30 20 IKED COCc1cccc2sc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)nc12 524587799 CHAVHGIGCWFREC-UHFFFAOYSA-N 445.548 5.089 30 20 IKED CCCN(C(=O)CSCc1ccc(C#N)cc1)[C@@H](c1ccc(F)cc1)c1cccnc1 525662093 YDYNACMAAOHPJA-VWLOTQADSA-N 433.552 5.354 30 20 IKED CSCc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 527385409 VVZJFIGHAYABSB-UHFFFAOYSA-N 431.517 5.099 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccccc2Cl)nc1)c1nc(-c2ccncc2)cs1 531335200 MLFCAONZXBVQBX-INIZCTEOSA-N 432.892 5.536 30 20 IKED Cc1cc(NC(=O)N(Cc2ccc(-c3ccc(F)cc3)s2)C(C)C)nn1CCC#N 538617155 IOYKBXXTDFBLAJ-UHFFFAOYSA-N 425.533 5.415 30 20 IKED C=CCC[C@@H](N[C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1)c1ccc(C(F)(F)F)cc1 539054475 POLUKLSOHMIOSD-HNAYVOBHSA-N 441.515 5.476 30 20 IKED Cc1ccc(C2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC2)cn1 541180966 USZXYNNBVXAUDS-UHFFFAOYSA-N 444.510 5.391 30 20 IKED COc1cccc([C@H]2C[C@@H](C)CN2C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1 542385596 MGARLJHIFDYBDL-QVKFZJNVSA-N 435.915 5.021 30 20 IKED CCc1noc(C)c1CN[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 543051341 DTCNCWPOVNGDJT-CQSZACIVSA-N 434.302 5.976 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(OC(F)F)c(F)c3)c2)cc1 549822656 UVFTWXCUCOHLIE-UHFFFAOYSA-N 426.394 5.324 30 20 IKED CN(CCCN(C)C(=O)c1ccccc1SCc1ccc(C#N)cc1)Cc1ccco1 553401868 CZHZCTNYCQJPFG-UHFFFAOYSA-N 433.577 5.038 30 20 IKED Cc1cc(-c2cc(C(=O)N(CCC#N)c3ccc(F)cc3)c3cnn(C(C)C)c3n2)c(C)o1 554166416 ZRKNMDWESQERRW-UHFFFAOYSA-N 445.498 5.589 30 20 IKED CCn1c(SCCOCCC#N)nnc1-c1cc(-c2ccccc2)nc2ccccc12 554970457 AXJFZQNTBAMSQJ-UHFFFAOYSA-N 429.549 5.203 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(CN4CCCCC4)cc3)n2)cc1 561315255 XCGORAHMNIZQNP-QFIPXVFZSA-N 431.561 5.295 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1N[C@H](C)c1ccccc1 572165747 KZDNRZTXAIUFOV-LJQANCHMSA-N 429.520 5.538 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1sc2ccccc2c1Br 589405148 UDVCSSQNHFJLKX-LBPRGKRZSA-N 431.380 6.310 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC(Cc2cccc(C(F)(F)F)c2)C1 590116420 QQTHWVNVZSWKHY-OAHLLOKOSA-N 433.499 5.806 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)CCCSc2ccc(Br)cc2)cc1 594580405 HVYFMZLAYPGVCP-UHFFFAOYSA-N 448.386 5.268 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3sc4c(c3C#N)CCC4)cc12 602754367 CHKNDUASYAFXTE-UHFFFAOYSA-N 436.537 5.268 30 20 IKED COc1ccc2[nH]cc(CC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c2c1 603765922 DEYPSCQLSFPPPL-JOCHJYFZSA-N 429.907 5.667 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)NCc2cccc(OCc3ccccn3)c2)c1 604327946 WWSFWDOUIZFXAD-UHFFFAOYSA-N 449.510 5.041 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 606841221 RYYCEFUIPSBHGL-PGRDOPGGSA-N 433.470 5.510 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[C@H](C)NC(=O)C1CCCCC1 608936046 OKBMVRBIQYNHEJ-IBGZPJMESA-N 435.543 5.014 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1oc(Br)cc1C 609060459 FODGYBUZQUJEGI-UHFFFAOYSA-N 425.282 5.362 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2Cl)c1 609063128 ZQEHLAGAHNQGGX-UHFFFAOYSA-N 442.258 5.605 30 20 IKED CCC(CC)CN(CCC#N)C(=O)c1ccc(OCc2cc(C)no2)c(Br)c1 609188629 PLUZMXDHZZUWDG-UHFFFAOYSA-N 448.361 5.117 30 20 IKED COc1ccc(C)cc1NC(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 609387000 DWNYXLWMJKVRJX-AWEZNQCLSA-N 437.487 5.467 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1cccc2ccccc12 609438757 SDMGGBVPCHKUDK-JPYJTQIMSA-N 443.572 5.536 30 20 IKED Cc1cc(Oc2ccccc2)ccc1NC(=O)N1CCCN(c2ccccc2C#N)CC1 609452173 YHHJYADCTSBFIN-UHFFFAOYSA-N 426.520 5.403 30 20 IKED N#C[C@@H](NC(=O)c1cc(-c2ccccc2)ccc1Cl)c1ccccc1Br 609593645 ZHZASFZKPBUTER-HXUWFJFHSA-N 425.713 5.764 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(SCc4nc(C)no4)cc3)n2)cc1 613314402 NHMVDXIGMFMGIS-LJQANCHMSA-N 446.557 5.592 30 20 IKED Cc1nn(-c2ccc(Br)cc2)c(C)c1CNCc1ccc(C#N)c(Cl)c1 619748789 OZJBHCRMLNBECJ-UHFFFAOYSA-N 429.749 5.067 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)N1CC(CC(F)(F)F)C1 675369414 VQUCFDNMQDWDOR-UHFFFAOYSA-N 440.331 5.776 30 20 IKED Cc1cccc(COc2ccc([C@H](C)NC(=O)NCc3ccc(OCC#N)cc3)cc2)c1 727844747 KMZMNMIFFCPLHA-FQEVSTJZSA-N 429.520 5.037 30 20 IKED O=C(Cc1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2O)cc1)Nc1ccccc1F 727973193 UJMWOLHDLNZKNY-UHFFFAOYSA-N 427.819 5.025 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728299997 WWFPZHQEWFVBQP-IBGZPJMESA-N 445.538 6.147 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 729414144 VDMGPVBSRKULNH-QHCPKHFHSA-N 449.551 5.288 30 20 IKED C[C@H](Sc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1)C(=O)N(C)CCC#N 729628833 OMWBKWFLQNBSIC-KRWDZBQOSA-N 438.984 5.104 30 20 IKED CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 730174022 ANSCUCCBPKGXQA-UHFFFAOYSA-N 431.467 5.270 30 20 IKED O=C(/C=C\c1ccc(OCc2occc2C(=O)O)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 730951417 NASJJVVNFXMNFX-BAQGIRSFSA-N 427.796 5.015 30 20 IKED CN(C(=O)c1ccco1)c1ccccc1C(=O)Nc1cccc(C#Cc2cccs2)c1 731000328 GQYNIJXXEKKNRO-UHFFFAOYSA-N 426.497 5.270 30 20 IKED Cc1ccc(CCC(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1Cl 731070073 FZHPPHCSESLMTQ-HNNXBMFYSA-N 430.957 5.015 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 731114312 NKTUYIVDWKQNFB-OPAMFIHVSA-N 427.545 5.055 30 20 IKED CCOc1ccc(N(C(=O)Cc2ccc(OCC#N)cc2)c2nc3ccccc3s2)cc1 731957309 VMQWRQFZSOORHJ-UHFFFAOYSA-N 443.528 5.505 30 20 IKED N#CCCN(C(=O)CCC(=O)O[C@H](c1ccccc1)c1cccc(F)c1)c1ccccc1 733690938 XYAUZZFFPPLTHA-AREMUKBSSA-N 430.479 5.185 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@H]1c1cnc(-c2ccc(C)cc2)s1 734415007 SQMPLAALEWMVLK-FQEVSTJZSA-N 439.993 5.291 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H](c3ccccc3)C3CCOCC3)c2)cc1 734649256 ANUZWNPZGPALJM-VWLOTQADSA-N 427.504 5.640 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 735791840 CFVMHQUCHJXZGG-INIZCTEOSA-N 440.450 5.433 30 20 IKED COc1ccc(Cl)c(NC(=S)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 742994448 XYIIEJFUQXPADV-UHFFFAOYSA-N 439.943 5.759 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N[C@H](C)c2sc(-c3ccccc3)nc2C)cc1 743472851 QVPZZNZQQPYWJX-UYAOXDASSA-N 432.593 5.413 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1ccc(N(C)Cc2ccccc2)cc1 743473453 XQIUVTCYVNFVFW-NRFANRHFSA-N 442.563 5.079 30 20 IKED CC(C)CO[C@@H](C)c1noc(COC(=O)c2ccccc2Sc2ccccc2C#N)n1 744470188 WLEFOGRDKWFJSY-INIZCTEOSA-N 437.521 5.183 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccccc3OC)n2)cc1 747020558 BXKJOMRUUXQHHK-BEFAXECRSA-N 433.533 5.293 30 20 IKED Cc1nn(C)c(C)c1[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 747021949 SHOXQRQVEHCUSM-ZUZCIYMTSA-N 433.364 5.447 30 20 IKED N#Cc1ccc(/C=C2\CN(Cc3ccccc3)C/C(=C\c3ccc(C#N)s3)C2=O)s1 748995277 YWIZDTRTDVGKHM-XOBNHNQQSA-N 427.554 5.105 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccc(Br)cc3)n2)cc1 749029157 NHMHUCRISPDLQP-SFHVURJKSA-N 436.334 5.253 30 20 IKED N#Cc1ccccc1N1CCC(NC(=O)/C(=C/c2ccc(F)cc2)c2cccs2)CC1 750046369 ZYAHVIOUVSCQFK-CJLVFECKSA-N 431.536 5.085 30 20 IKED COc1ccc(/C=C(/C)C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1F 755602657 OXGPWVRVPJZUJW-NMIWIPSGSA-N 444.462 5.377 30 20 IKED C#CC[C@@H](NC(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccccc1 757621516 ISJUJJJEZINNQQ-KBMIEXCESA-N 443.522 5.132 30 20 IKED C#CC[C@H](NC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccsc1)c1ccccc1 757760536 JBCHTYYUYMXRHY-QHCPKHFHSA-N 448.588 5.284 30 20 IKED C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1C#N)C(=O)Nc1ccccc1-c1ccccc1 758116147 NHAOEMOAXZELNB-HNNXBMFYSA-N 438.405 5.428 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2COc3ccc(Br)cc32)cc1 758409708 LWNIVQUCSMEPRF-RTWAWAEBSA-N 433.305 5.219 30 20 IKED Cc1csc(Sc2ccc(NC(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)cc2)n1 761840316 UFBLFEQWTFKRBT-FQEVSTJZSA-N 436.562 5.080 30 20 IKED CC(C)[C@@H](NC(=O)OC(C)(C)C)c1noc(-c2ccc(COc3ccc(C#N)cc3)o2)n1 762022888 HLTRFNNFAFDFGB-LJQANCHMSA-N 438.484 5.002 30 20 IKED C=CCn1c(-c2ccccc2F)nn(CN2CCC(c3ncc(C)s3)CC2)c1=S 762167386 CMSHMCYPWAMREF-UHFFFAOYSA-N 429.590 5.008 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Br)cc3C)n2)cc1 763005616 XYBVOJMHFYGPFS-GOSISDBHSA-N 441.350 5.309 30 20 IKED N#Cc1ccc(OCCCSc2nnc(-c3ccccc3F)n2Cc2ccco2)cc1 765329554 JOMWGVACRFKCDI-UHFFFAOYSA-N 434.496 5.158 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cccc2c1ccn2CC(C)C 774041927 CYIBDTNUBLGOHH-GOSISDBHSA-N 437.927 5.229 30 20 IKED Cc1ccc(C(=O)OCc2ccc(C3(C#N)CC3)cc2)cc1NC(=O)c1ccccc1F 777146110 QLBCFCGDBZNUCU-UHFFFAOYSA-N 428.463 5.299 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1 778323368 HEGJCCYAKLTBPH-AZUAARDMSA-N 449.551 5.116 30 20 IKED C[C@@H](OC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)N(C)Cc1ccccc1 779187083 SYKUZJLDEGMHRX-LJQANCHMSA-N 444.556 5.054 30 20 IKED N#C[C@@H](C(=O)C1(c2ccccc2Cl)CCOCC1)c1nc2cc(Cl)ccc2s1 779192835 ANWWVPNBTVMXHN-AWEZNQCLSA-N 431.344 5.528 30 20 IKED N#Cc1ccc(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1C(F)(F)F 779461837 GNALXZGRPACSAW-MRXNPFEDSA-N 443.475 5.669 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SC[C@H](O)c3ccc(C#N)cc3)n2)o1 783656385 NTUIZLQKPRPXRL-SFHVURJKSA-N 429.423 5.238 30 20 IKED Cc1sc(-c2ccco2)nc1C(=O)OC[C@@H](C#N)Cc1ccccc1Br 786632833 KHKSWUIHRAXQDM-CYBMUJFWSA-N 431.311 5.013 30 20 IKED CCC(CC)c1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)NC2(C)CC2)cc1 789412062 OBYXCWTUSNBKER-UHFFFAOYSA-O 440.633 5.225 30 20 IKED C#CC[C@H](NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccccc1 790795523 DMYAPSTWRQAWTK-VXKWHMMOSA-N 430.470 5.237 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1cnc2ccccc2n1 792111054 PGGWXLSLCNTBOY-INIZCTEOSA-N 438.434 5.191 30 20 IKED C[C@H](C#N)Oc1ccc(CNc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)cc1 793595699 VUXPYFXWISOQLR-FQRUVTKNSA-N 425.532 5.567 30 20 IKED COc1cc(/C=C/C(=O)c2cccc(-c3ccncc3)c2)cc(OC)c1OCC(F)F 809154539 XVKXTUMTUKJSGA-VOTSOKGWSA-N 425.431 5.306 30 20 IKED C#CCOc1ccccc1-c1noc([C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)n1 809395522 LWOVJJXCKCCTFX-SFHVURJKSA-N 442.302 5.033 30 20 IKED COc1ccccc1CN(OC)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 810177425 RQFIZKDSGXIWHK-UHFFFAOYSA-N 431.492 5.050 30 20 IKED C[C@@H](N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21)c1ccc(C#N)cc1F 810258215 RZHWUXCRTGYYNM-VFNWGFHPSA-N 439.531 5.997 30 20 IKED N#Cc1cc(Oc2ccc(NCC(=O)Nc3ccc(SC(F)F)cc3)cc2)ccn1 811778769 LQESFWKIEYMPCT-UHFFFAOYSA-N 426.448 5.111 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccccc3NC(=O)c3cccs3)s2)cc1 875789953 HKWVGIZLKMCSGX-UHFFFAOYSA-N 444.541 5.172 30 20 IKED COc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3ccccc3F)s2)c(OC)c1 912803540 AAJYSQODXUQWCN-UHFFFAOYSA-N 440.525 5.001 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)COc1ccc(C2SCCCS2)cc1 914482485 SLYKRQWQTOWZPS-UHFFFAOYSA-N 426.607 5.245 30 20 IKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 915101646 JJNMNRVUKFATBZ-PXNSSMCTSA-N 449.601 5.364 30 20 IKED Cc1cc(C)c(NC(=O)CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(C)c1 915352476 IUPZZBHAVJDYJR-HSZRJFAPSA-N 426.520 5.028 30 20 IKED Cc1ccc(Sc2ccc(/C=C3\S/C(=N/C4CCCC4)NC3=O)cc2[N+](=O)[O-])cc1 915857363 YHCMFTFMAHPXBC-MOSHPQCFSA-N 439.562 5.557 30 20 IKED COc1cc(/C=C\c2nc3cc([N+](=O)[O-])ccc3n2-c2ccccc2)ccc1OCC#N 916129082 SXTHCXXLGCBBEZ-WQLSENKSSA-N 426.432 5.015 30 20 IKED N#CCOc1cccc(NC(=O)[C@@H](Oc2cccc(Br)c2)c2ccccc2)c1 916409748 MPLVQLXCYRHRFQ-NRFANRHFSA-N 437.293 5.110 30 20 IKED Cc1csc([C@H](C#N)C(=O)[C@@H](Oc2cccc(Br)c2)c2ccccc2)n1 916843669 AZUVWQOVWGGKLV-MJGOQNOKSA-N 427.323 5.211 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 916902311 DLMQEQZNKKPHNH-HSZRJFAPSA-N 431.511 5.319 30 20 IKED N#C[C@H](C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1ccccc1Cl 916906824 ULXPIDQHZXJAEC-DMTLFAOVSA-N 427.209 5.373 30 20 IKED N#C[C@@H](C(=O)CSc1ccc(F)c(F)c1)C(=O)Nc1ccccc1Oc1ccccc1 916911284 WXPHCTQHGFDSMP-KRWDZBQOSA-N 438.455 5.197 30 20 IKED N#C[C@@H](C(=O)CCCCc1nc2ccccc2s1)C(=O)Nc1ccc(Cl)cc1Cl 916927154 DLMROZPFPAOAFH-AWEZNQCLSA-N 446.359 5.663 30 20 IKED Cn1ccnc1COc1ccc(C(=O)/C=C\c2ccc(-c3cccc([N+](=O)[O-])c3)s2)cc1 917517261 CBQOBDILHWJYNJ-LUAWRHEFSA-N 445.500 5.532 30 20 IKED Cn1ccnc1COc1ccc(C(=O)/C=C/c2ccc(-n3cnc4ccccc43)cc2)cc1 917517301 CPPSQFFIMQZVQR-OVCLIPMQSA-N 434.499 5.234 30 20 IKED Cn1ccnc1COc1ccc(C(=O)/C=C/c2c(OC(F)F)ccc3ccccc23)cc1 917518089 UKFMMTDPVKABGB-VAWYXSNFSA-N 434.442 5.650 30 20 IKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CC2)c1 917711968 AJMOBZXIBFHAFW-HXUWFJFHSA-N 443.519 5.211 30 20 IKED Cc1nccn1-c1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1F 920235371 RVCQTZSZKGZMQS-HSZRJFAPSA-N 439.494 5.297 30 20 IKED Cc1ccc(C)c(OCCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 920326117 LHFZVBGZJXKFBA-OAQYLSRUSA-N 429.545 5.724 30 20 IKED CC(C)(C)c1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920803698 AMIQLXDFAWEJIW-MRXNPFEDSA-N 426.488 5.641 30 20 IKED CCN(C(=O)c1cc(C#N)c(SC)nc1O)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 1360037528 MLYZHPRESAQRJA-QFIPXVFZSA-N 446.576 5.151 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)C3(c4ccccc4)CCC3)CCC2)cc1 1786369933 DWRBPLAIHLCQBU-UHFFFAOYSA-N 446.591 5.225 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3nc(C)sc3C)cc2)CCC1 1786945966 WFKOGLKXMYWBGZ-NRFANRHFSA-N 437.609 5.205 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)nn3-c3ccccc3)CCC2)cc1 1791247833 JEMIFOFHHIZHLK-IBGZPJMESA-N 442.563 5.141 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(C)cccc2C)[C@@H]1c1cccnc1 1811388370 LJKVXOOWJPWKQW-UPVQGACJSA-N 433.596 5.010 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](C)c2ccc(Cl)cc2)n[nH]1 1814660354 KHEJONDOCVJUPW-RZQQEMMASA-N 428.964 5.071 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3cccnc23)n[nH]1 1818479950 NEAMFDUAUFBEIM-NRFANRHFSA-N 445.567 5.256 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C(F)(F)F)c3C)CC2)C1 1823704665 OCBTUUVWUKIAOC-JOCHJYFZSA-N 448.529 5.213 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCC(F)(F)CC2)CC1 1824137640 LSTJOSBYNPFRLB-QFIPXVFZSA-N 436.587 5.200 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCOc2ccccc2)CC1 1826363700 JZTCZKDSHHZHJZ-XMMPIXPASA-N 440.628 5.068 30 20 IKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1826694078 SXCQYOMBCXGDEX-VWLOTQADSA-N 445.563 5.016 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)c2cccs2)CC1 1828829711 MJWZTXAYILGAMR-KSEOMHKRSA-N 428.642 5.240 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 1832029548 GWSYXGDRGXCYQQ-OAQYLSRUSA-N 449.422 5.420 30 20 IKED C=CCn1c(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)nnc1-c1ccc(Cl)cc1Cl 11149420 YCCOINALSPPFQK-KBPBESRZSA-N 439.412 5.035 30 20 IKED Cc1ccccc1NC(=O)c1cc2ccccc2cc1OS(=O)(=O)c1ccc(C#N)cc1 15331459 PNSIQAILMSITPC-UHFFFAOYSA-N 442.496 5.040 30 20 IKED N#CCSc1ccccc1NC(=O)CSc1ncnc2sc(-c3ccccc3)cc12 21175779 WCYAJFWCWYSFKA-UHFFFAOYSA-N 448.598 5.705 30 20 IKED C=CCn1c(SCc2nc3ccccc3o2)nc2scc(-c3cccs3)c2c1=O 21382462 ATSAQCXNHMPQNL-UHFFFAOYSA-N 437.571 5.806 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)CCC)nc2scc(-c3cccs3)c2c1=O 21953647 SYAHPLVITYZCRZ-UONOGXRCSA-N 447.651 5.158 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccoc1C 23519174 JQPSVXPSSMLMDE-GFCCVEGCSA-N 437.352 5.459 30 20 IKED CCOc1ccc(-c2nc(CC(=O)Nc3cccc(C#Cc4ccccn4)c3)cs2)cc1 29825671 PNJITTRQSOOQNZ-UHFFFAOYSA-N 439.540 5.185 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1 63391272 BAMMJPWFCPMKOQ-UHFFFAOYSA-N 432.455 5.071 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)s2)c(C)c1 63569123 MXIGWUAJVKLUIJ-UHFFFAOYSA-N 430.558 5.983 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)CCCc3ncc(-c4ccccc4)o3)s2)cc1 97293898 JRTVLKSHASTKTD-UHFFFAOYSA-N 428.517 5.222 30 20 IKED N#CCCn1cc(C(=O)CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)c2ccccc21 110982930 RNKLHCRHYJUPHJ-UHFFFAOYSA-N 446.938 5.412 30 20 IKED Cc1cc(N(C)CC(=O)Nc2c(Cl)cccc2Cl)n2c(nc3ccccc32)c1C#N 301084935 OPUXMSAPTJGOCH-UHFFFAOYSA-N 438.318 5.049 30 20 IKED Cc1cc(Cl)cc2nc(SCC(=O)Nc3ccccc3SC[C@@H](C)C#N)oc12 303728502 YKXIOKSTNLOCRG-LBPRGKRZSA-N 431.970 5.772 30 20 IKED N#CCSc1cccc(C(=O)N(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)c1 429941568 KJMHCAGIXOQDKU-YVMONPNESA-N 442.540 5.434 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(C(F)(F)F)ccc1-c1nc(C)no1 433615785 IGLRMYWVIFLVPV-UHFFFAOYSA-N 441.413 5.156 30 20 IKED Cc1ccc(CN(CCc2ccccc2)Cc2cn(CCC#N)nc2-c2ccncc2)s1 435134293 HGMBZQPPFUYKFG-UHFFFAOYSA-N 441.604 5.474 30 20 IKED C[C@@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)Oc1cccc(Br)c1 438051399 OTZFXZNSXZITSL-LSDHHAIUSA-N 448.386 5.432 30 20 IKED N#CCC[C@H](NC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1)c1ccccc1 439397924 SRNQAMINMRMDQC-QFIPXVFZSA-N 432.911 5.759 30 20 IKED C[C@@H](Nc1ccc(Oc2ccc(Cl)cn2)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 439643551 QYYTYYFTCSEYDG-MRXNPFEDSA-N 438.890 5.414 30 20 IKED Cc1csc(-c2cccc(S(=O)(=O)Nc3ccccc3S[C@@H](C)CC#N)c2)n1 443412162 ZGTUUSYCAQRMTI-HNNXBMFYSA-N 429.592 5.314 30 20 IKED N#Cc1nc(Sc2nnc(-c3ccccc3)n2Cc2ccco2)ccc1C(F)(F)F 443445250 QRXZHHXOMGEBBA-UHFFFAOYSA-N 427.411 5.023 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)Cc1ccc(NC(=O)C2CC2)cc1 443893090 BNVFRCJBZKZMPM-UHFFFAOYSA-N 443.934 5.336 30 20 IKED CN(C(=O)Cc1noc(-c2ccc(Sc3ccccc3C#N)cc2)n1)C1CCCCC1 445541934 VWWCUKIYCMBFOA-UHFFFAOYSA-N 432.549 5.093 30 20 IKED N#CCc1ccc(OCc2cccc(N3C(=O)N[C@@H](c4ccc5ccccc5c4)C3=O)c2)cc1 445892744 DYGUTLHQWTYOTC-SANMLTNESA-N 447.494 5.282 30 20 IKED Cn1cc([C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C(F)(F)F)cn1 446116168 BOLSTUMKOHZOFT-SFHVURJKSA-N 449.820 5.163 30 20 IKED N#CC1(c2ccccc2)CCC(Nc2ccc(Cc3nnc4n3CCCCC4)cc2)CC1 467640641 OMABGPDQKIYPAA-UHFFFAOYSA-N 425.580 5.411 30 20 IKED N#CCCCn1cc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)c2ccccc21 468777748 AZGAWMJHWWZELO-SFHVURJKSA-N 437.927 5.409 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1 474609203 WPLRBLBIUBDFKK-MRXNPFEDSA-N 447.526 6.369 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](CO)Cc1ccccc1C(F)(F)F 475586673 XMMQAHGMNYZRIC-KRWDZBQOSA-N 434.502 5.530 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)c2ccc(C(C)(C)C#N)cc2)nc1-c1ccccc1 476073813 NCVDNVDNUUNDCY-JOCHJYFZSA-N 427.548 6.243 30 20 IKED N#Cc1cc(Cl)ccc1CSc1nnc(COc2ccc(Cl)cc2Cl)o1 479230101 VXJDEPDJYKXFLC-UHFFFAOYSA-N 426.712 5.773 30 20 IKED C=C(C)Cn1c(SCC(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)nnc1-c1ccco1 481140499 OFDVOCNZCRZUDY-FQEVSTJZSA-N 436.581 5.187 30 20 IKED O=C(NCC(F)(F)C(F)F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 482132123 ZGMJEMKHUSPRBO-QTSMMADVSA-N 443.325 5.125 30 20 IKED CCc1c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cnn1-c1ccc(Cl)cc1 482728812 QPMMCOPTYGCGFD-UHFFFAOYSA-N 443.894 5.399 30 20 IKED CCc1c(NC(=O)CSc2ccc(C#N)cc2)cnn1-c1cccc(C(F)(F)F)c1 482734320 OBHJWWGOKAKTLQ-UHFFFAOYSA-N 430.455 5.056 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cnn(-c3ccccc3Cl)c2CC)cc1 485344614 RSVYHRYJKOBDAD-UHFFFAOYSA-N 438.919 5.040 30 20 IKED CC(C)c1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c2cnn(C(C)C)c2n1 487327268 VQXCQQFTJSGPIT-UHFFFAOYSA-N 444.564 5.307 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)nnc1-c1ccc(C)cc1 489612221 CFRXLZUSBBWZCU-MRXNPFEDSA-N 442.535 5.029 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(C)=O)cc2)nnc1-c1cccc(Cl)c1 489661400 ZBASKAZRUCSTOZ-AWEZNQCLSA-N 440.956 5.106 30 20 IKED CCn1c([C@H]2CCCN2CCC(=O)Nc2sc3c(c2C#N)CCCC3)nc2ccccc21 490193937 KJTFLXOSDZRQGC-OAQYLSRUSA-N 447.608 5.034 30 20 IKED O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cnn(-c2ccccc2F)c1C(F)(F)F 498819122 HLGRLUVOQLVRGA-UHFFFAOYSA-N 435.274 5.440 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1C 502357476 LXTPVCHSEVJRKV-OAQYLSRUSA-N 434.540 5.187 30 20 IKED N#C[C@H](NC(=O)CSCc1cc(-c2cccs2)on1)c1cccc(Cl)c1Cl 505324270 ARNUPZJNRVTZFW-AWEZNQCLSA-N 438.361 5.324 30 20 IKED FC(F)(F)COc1ccc(CN[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)cn1 505874255 GTSQIBDOCBSEBQ-AWEZNQCLSA-N 432.286 5.435 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)cc1 508144194 CDTIUUBFTVBBOE-HNNXBMFYSA-N 433.335 5.214 30 20 IKED CCOc1ccc(C2=CCN(C(=O)c3ccc(COc4ccccc4C#N)o3)CC2)cc1 509683614 QRWKGAJIQZNPEY-UHFFFAOYSA-N 428.488 5.058 30 20 IKED C[C@H](Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)C(=O)NC1(C#N)CCCCC1 512216775 ZBFXEWXGNQQIRI-HNNXBMFYSA-N 432.446 5.036 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(Oc4ncc(Cl)cn4)c(Cl)c3)CC2)c1 515318455 HYJQBSKMJOUKHQ-UHFFFAOYSA-N 443.265 5.257 30 20 IKED Cc1ccc(OCc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)o2)c(C)c1 516768044 OHZOCVCTIDPGDJ-IBGZPJMESA-N 429.501 5.484 30 20 IKED Cc1ccc(Oc2ccccc2NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 517898133 PDKHUHOODGSMEV-UHFFFAOYSA-N 427.504 5.734 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)c2ccc(Br)cc2Cl)CC1 518395716 PYKZKZUTRCCIDB-UHFFFAOYSA-N 433.733 5.094 30 20 IKED Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)CCCCOc1cccc(C#N)c1 518909211 RHWLWIQUBZDFJV-XMMPIXPASA-N 428.536 5.177 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 521812883 LGSPJKPLVQGMEG-GJZGRUSLSA-N 449.498 5.258 30 20 IKED CN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1cccc(OC(F)(F)F)c1 521929623 GNEBIMITQNBUJP-UHFFFAOYSA-N 426.394 5.720 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)c2)c1 522306659 IBOHOLKVYGGXNK-UHFFFAOYSA-N 439.515 5.016 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC(c2cccs2)c2cccs2)cc1 523423099 JLPZQJWYQKNILZ-UHFFFAOYSA-N 437.590 5.535 30 20 IKED CCc1sc(=O)n(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)c1-c1ccccc1 525626932 QHVRBTZMHSSECV-UHFFFAOYSA-N 439.968 5.048 30 20 IKED N#Cc1cccc(COc2cccc(CNc3cccc(CN4CCCCC4=O)c3)c2)c1 533211005 OJEXVQWDOHGUHD-UHFFFAOYSA-N 425.532 5.262 30 20 IKED Cc1cc(S(C)(=O)=O)cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1C 534010033 PERWYNVOZKDDDT-HNNXBMFYSA-N 444.622 5.043 30 20 IKED Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 539302583 BQPXOUWWPCPWGP-QHCPKHFHSA-N 429.524 5.041 30 20 IKED COc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cc1 541924176 VGYRUYBECAVHTO-NRFANRHFSA-N 433.487 5.041 30 20 IKED CC[C@](C)(COc1ncccc1Cl)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 541969549 GGVBONPJVKGFDH-YCRPNKLZSA-N 432.977 5.498 30 20 IKED Cc1sc([C@@H](C)NCc2nnc(-c3ccc(C#N)cc3)o2)nc1-c1ccc(Cl)cc1 542574570 PEQNIYBKIHYYDG-CYBMUJFWSA-N 435.940 5.544 30 20 IKED C[C@H](NC(=O)CCC(=O)CCC(=O)c1cccs1)c1ccc(-c2cccc(C#N)c2)cc1 543031166 HMUWWTLKMWNHRD-SFHVURJKSA-N 444.556 5.476 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCC[C@@H]2c2ccc(Br)s2)c1 543228258 VHUCEWQVOJMRBT-QGZVFWFLSA-N 433.371 5.295 30 20 IKED Cc1nn(CCC#N)c(C)c1CCc1nc(-c2ccc(Oc3ccccc3F)c(F)c2)no1 545742437 BWTOJVSZPSNJDU-UHFFFAOYSA-N 449.461 5.319 30 20 IKED C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(c2ccc(C(F)(F)F)cc2)CC1 549302166 MGGYBVWZMJESIG-UHFFFAOYSA-N 441.501 5.243 30 20 IKED Cc1nc([C@@H](NC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccc(Cl)cc2)no1 554212990 PQUTYHYYOCWMTL-DJJJIMSYSA-N 441.944 5.194 30 20 IKED Cc1nc([C@@H]2CCCOC2)sc1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 556418782 YLFHEMBKNRNKKE-MRXNPFEDSA-N 437.496 5.401 30 20 IKED Cc1c([C@H](C)N[C@H](CCCC#N)c2ccccc2)nnn1-c1cccc(Br)c1 559863757 MECKAIZIFBMCDS-HRAATJIYSA-N 438.373 5.424 30 20 IKED C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cccc(Br)c1Cl 572064411 ARESCTSOLBXVIU-LLVKDONJSA-N 445.791 5.298 30 20 IKED COc1ccc(Br)c2[nH]c(C(=O)N[C@H](CCCC#N)c3ccccc3)cc12 578351527 WAOJZZYCSDTVOA-QGZVFWFLSA-N 426.314 5.104 30 20 IKED C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(Oc2cccnc2)cc1 584831821 LQVRUSKHCVNPTP-GOSISDBHSA-N 439.471 5.409 30 20 IKED Cn1ncc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1-c1ccccc1 588237516 PGSAGPLHIJOAKY-UHFFFAOYSA-N 437.503 5.376 30 20 IKED CCCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[nH]c(C)c1C(C)=O 590459786 CFAVZJZMFYXBOJ-UHFFFAOYSA-N 433.483 5.320 30 20 IKED N#C[C@H](C(=O)c1cnnn1-c1ccccc1Cl)c1nc2cc(C(F)(F)F)ccc2s1 591862611 YBQLTFMURXOJLW-LLVKDONJSA-N 447.829 5.039 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)[C@H](Sc2cc(F)ccc2F)c2ccccc2)cc1 592604484 GXDZKHDCESWLMF-JOCHJYFZSA-N 438.499 5.353 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1nc2cc(F)ccc2s1 592974437 XEPYTFOLNWJUJR-CYBMUJFWSA-N 448.376 5.269 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 596131903 QFVKDEUGSDMYNC-IBGZPJMESA-N 428.557 6.349 30 20 IKED CCCCN(CCCC)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604150774 AMWMYGTXUJDBHU-OAQYLSRUSA-N 425.960 5.363 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H](C)c1cc2ccccc2o1 604420105 HWEXHQBYCJIHCU-QGZVFWFLSA-N 439.471 5.221 30 20 IKED Cc1cc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)n(-c2cccc(C(F)(F)F)c2)n1 604497289 IOIPTOFHNUQPMZ-UHFFFAOYSA-N 441.457 5.514 30 20 IKED COc1ccccc1-c1nc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cs1 604504276 NQIMELOMFHAFLS-UHFFFAOYSA-N 428.473 5.130 30 20 IKED COc1ccc(COCc2cccc(NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)c2)cc1 608916228 QXGHGRLJUIVGCN-UHFFFAOYSA-N 443.547 5.726 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(Nc3ncccn3)c2)cc1Cl 609164529 QBIFLJFSLXLIJO-JOCHJYFZSA-N 439.906 5.781 30 20 IKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609176628 PYAJJEGOYKWUCP-UHFFFAOYSA-N 433.533 5.957 30 20 IKED CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609427108 PQXFSVJZXLCDPQ-UHFFFAOYSA-N 442.500 5.683 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc(OCc4cscn4)c3)cc2)cc1 609503091 CEYCITHFOQJMJU-UHFFFAOYSA-N 441.512 5.833 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC2(c3nccs3)CCCC2)cc1 609711855 XITXUOSTCRQHGE-UHFFFAOYSA-N 432.549 5.379 30 20 IKED CN1CCC[C@@H](CNCc2cccc(OCCCC#N)c2)[C@H]1c1ccc(C(F)(F)F)cc1 609804995 IYLFGIUDBBURLJ-XUZZJYLKSA-N 445.529 5.561 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)Cc3csc(-c4ccoc4)n3)c2)cc1 609968456 IEKWVESFOAKGHA-UHFFFAOYSA-N 429.501 5.229 30 20 IKED CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 609986398 RBCYYOZUQLNISB-UHFFFAOYSA-N 426.520 5.101 30 20 IKED CC(C)Sc1c(Cl)cccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 610198843 PFIQDNDYTILRAK-UHFFFAOYSA-N 429.973 5.506 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1C(F)F 610893762 USKJTJRDTVQYKA-UHFFFAOYSA-N 426.267 5.002 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)n1 611839126 IPQMTJWXSZQEBW-QGZVFWFLSA-N 444.926 5.290 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(OC)c1C 613346491 KXOSUENNUWRJHZ-HNNXBMFYSA-N 447.343 5.933 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1 614999917 LPIGZSZCXFZORP-UHFFFAOYSA-N 443.528 5.288 30 20 IKED COc1ccc(CCN(Cc2ccccc2)C(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1 618847381 PTMWPTVXFBMLQR-SANMLTNESA-N 425.532 5.009 30 20 IKED O=C(Cc1ccccc1F)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622516570 JJDNVAMSRFTYTP-KRWDZBQOSA-N 435.339 5.006 30 20 IKED C=CCN(C(=O)CCn1ccccc1=O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 642235105 GCXJKDYZVTYSTQ-UHFFFAOYSA-N 441.556 5.248 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl 726754972 XEWBEBAYAJVYLC-CQSZACIVSA-N 430.360 5.609 30 20 IKED CC(=O)N(c1nc(/C=C2\Oc3c(Cl)cccc3C2=O)cs1)c1ccc(F)cc1F 729149222 DPGHADUUKHWUEZ-IUXPMGMMSA-N 432.835 5.376 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 729421642 ZIQQFXKSIHLIJC-GOSISDBHSA-N 446.507 5.320 30 20 IKED CC[C@H](Oc1ccccc1C(C)C)C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 730073774 SSRUMQLSGWPHAO-IRLDBZIGSA-N 434.561 5.976 30 20 IKED Clc1cccc(C=NOCc2noc(Cc3ccc(Br)cc3)n2)c1Cl 732193900 LRTQFNZBSCDGFT-UHFFFAOYSA-N 441.112 5.280 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 732900910 ZNBXYHIQOWYOFE-INIZCTEOSA-N 426.806 5.372 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)CSc2ccc3c4c(cccc24)CC3)ccc1OC 733228983 SYFIEBNGWHZPNQ-HXUWFJFHSA-N 446.572 5.036 30 20 IKED C#CCN(C(=O)Nc1nc(C(C)C)cs1)[C@@H]1CCOc2ccc(Br)cc21 733333002 UHKOQPVAYJQCDK-MRXNPFEDSA-N 434.359 5.020 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1 734080544 VKDSMFSVGFVPAA-FQEVSTJZSA-N 441.874 5.642 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c1 734100781 QJKRKKTZHOYQBY-UHFFFAOYSA-N 445.906 5.170 30 20 IKED Cc1nc(-c2ccccc2F)sc1[C@@H](C)OC(=O)CCc1c(C)nn(CCC#N)c1C 734734835 CUFBPPCXTBWSDE-QGZVFWFLSA-N 440.544 5.222 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)c3ccc(COc4ccccc4C#N)o3)c2)s1 739595386 HYPRDBNMRAGGLY-UHFFFAOYSA-N 439.496 5.260 30 20 IKED CC[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccc2c(c1)OCCO2 740059634 LKGLXVLNFSCYBS-HXUWFJFHSA-N 433.533 5.008 30 20 IKED N#Cc1cc(NCc2ccc(-c3ccc(Cl)c(Cl)c3)o2)ccc1N1CCC(O)CC1 742386013 YLENWWGWPIIODG-UHFFFAOYSA-N 442.346 5.698 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/Oc3cc(Cl)cc(Cl)c3C2=O)cs1 742435855 DNACINUGFUNBBI-CAOOACKPSA-N 449.290 5.890 30 20 IKED Cc1csc(SCc2ccccc2C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)n1 744370612 BTAQMFDUSYMOAX-UHFFFAOYSA-N 433.480 5.887 30 20 IKED N#Cc1ccc(OCCCOC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)cc1 745266233 VEBOWQBGYNZJTC-UHFFFAOYSA-N 444.274 5.073 30 20 IKED Cc1cccc(-c2nnc([C@H](C)Sc3nc4c(c(-c5ccco5)c3C#N)CCC4)o2)c1 745931605 XODZPZDIGTYWIB-HNNXBMFYSA-N 428.517 5.914 30 20 IKED Cn1c(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)nn(CN2CCC(C#N)CC2)c1=S 747078978 PQQZNWIZDHNHQT-QGZVFWFLSA-N 429.659 5.024 30 20 IKED CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1nnn(-c2ccc(Cl)cc2)c1C 747610333 BZFMOSOCNNVTCC-UHFFFAOYSA-N 445.836 5.027 30 20 IKED N#Cc1csc(/C=C2/CC(C#N)(c3ccccc3)C/C(=C/c3cc(C#N)cs3)C2=O)c1 748439156 KPJAFEMFCWZSTG-ZVUGKNKDSA-N 437.549 5.844 30 20 IKED N#Cc1ccc(Oc2ccc(OC(=O)C3CCN(C(=O)Nc4ccccc4)CC3)cc2)cc1 749066676 QEMMLLJLLJKJCA-UHFFFAOYSA-N 441.487 5.200 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H]3C[C@H](O)c3cccs3)c2)cc1 751000937 XRQIYCRABKVURC-KNQAVFIVSA-N 433.533 5.532 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@H](c2ccccc2)c2ccc(OC)cc2)cc1C#N 752304979 JUTPYWHEVLSBPK-HSZRJFAPSA-N 444.491 5.046 30 20 IKED CN(Cc1ccccc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C(=O)OC(C)(C)C 752694810 QUKCCULOSVOBAC-JTHBVZDNSA-N 448.567 5.357 30 20 IKED C#CC[C@@H](NC(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 757763306 ROLGTJCSABRJBO-HSZRJFAPSA-N 431.923 5.503 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(Cl)nc2)ccc1OCC(=O)Nc1ccccc1 759083514 RVWSUDFAEJUQDS-DHZHZOJOSA-N 436.895 5.047 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CCc3ccc(C(C)C)cc3C2=O)cs1 760230568 USWMHFQQTMJVFK-UNOMPAQXSA-N 434.536 6.303 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(C#N)s2)cc(Br)c1OC(F)F 762438083 KMLQCBFQOGTWLJ-HWKANZROSA-N 428.254 5.278 30 20 IKED COc1ccccc1NC(=O)c1cc2ccccc2cc1OC[C@@H](O)c1ccc(C#N)cc1 763229871 DVXJEDRBUBVDAR-XMMPIXPASA-N 438.483 5.085 30 20 IKED Cc1cc(C)cc([C@H](OC(=O)CCC(=O)N(CCC#N)c2ccccc2)C(F)(F)F)c1 764176109 VEZSQOVYFPQJNK-QFIPXVFZSA-N 432.442 5.177 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CCCN1Cc1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 768782737 YGEUTOGMMVJAGY-WMZOPIPTSA-N 429.467 5.156 30 20 IKED CS(=O)(=O)c1ccc(C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F 771857362 DHXANMBOZCUFFD-RQOWECAXSA-N 440.336 5.163 30 20 IKED O=C1C/C(=C\c2csc(-c3cccc(Br)c3)n2)C(=O)c2ccccc2N1 774142791 RPRMGEWCIKNBIS-UKTHLTGXSA-N 425.307 5.181 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC(c3ccc(Cl)cc3)CC2)ccc1OC 776142129 WYOZISAZZGIZMP-OAQYLSRUSA-N 441.959 5.119 30 20 IKED COC(=O)Nc1cc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)cc(C(F)(F)F)c1 776908123 QDOCWBJTHGMLSJ-UHFFFAOYSA-N 449.473 5.208 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 777984018 ROIIJGPOPUWWRD-UHFFFAOYSA-N 437.402 5.084 30 20 IKED N#Cc1cc(N[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)ccc1N1CCC(O)CC1 779159419 JLXQNZMQXYYISI-VWLOTQADSA-N 435.930 5.513 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 780157715 ILCBFGYGGHTMON-INIZCTEOSA-N 445.569 6.132 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1 780934248 IQGDMVOVACQKIM-DVECYGJZSA-N 446.572 5.722 30 20 IKED C[C@@H](NC(=O)Nc1cccc(N2CCOC2=O)c1)c1ccc(-c2cccc(C#N)c2)cc1 782253155 UETRXDDXNJRXFN-QGZVFWFLSA-N 426.476 5.065 30 20 IKED C[C@H](OC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1)C(C)(C)C#N 784902780 XVXRVVJTEJTWNU-AWEZNQCLSA-N 429.542 5.176 30 20 IKED N#C[C@H](COC(=O)c1ncoc1-c1ccccc1Cl)Cc1ccccc1Br 786639786 STURCQVLCFFWGN-CYBMUJFWSA-N 445.700 5.297 30 20 IKED C[C@@H](NC(=O)[C@@H](C#N)C(=O)c1cncc(-c2ccccc2)c1)c1ccc(Cl)cc1Cl 787052619 NKZOUEQETFEMHX-VLIAUNLRSA-N 438.314 5.255 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 789452636 UUDDZYFHVIKIDQ-RXVVDRJESA-N 429.605 5.696 30 20 IKED C=CC[C@@]1(C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)CCCN1C(=O)OC(C)(C)C 790650441 JMSRMUGKLDVHAE-DLLPINGYSA-N 448.629 5.018 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 796648688 DUKSNYMSQWIYGO-INIZCTEOSA-N 440.450 5.577 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)Nc2ccc3cc(Br)ccc3c2)CC1 800548645 XLFDWJQGNHTVTM-UHFFFAOYSA-N 435.325 5.087 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](C)C1CN(C(=O)OC(C)(C)C)C1 806577769 WNPOMGFIZOCJKJ-QGZVFWFLSA-N 435.524 5.101 30 20 IKED CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 810281639 QKZQHRCWIPEPCE-UHFFFAOYSA-N 429.524 5.256 30 20 IKED O=C(/C=C/c1csc(COc2ccc(Cl)cc2)n1)c1ccc(Br)nc1 811695815 FARLKZHEGVZQBU-QPJJXVBHSA-N 435.730 5.429 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)Nc3ccc(C#N)cc3Cl)C2)C1 814671296 YGKUAGHQHUWTFI-ZWKOTPCHSA-N 446.979 5.103 30 20 IKED O=C1c2cccc3cccc(c23)C(=O)N1N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 818220705 JCTAOYGODSKVBV-UHFFFAOYSA-N 427.441 5.107 30 20 IKED Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)Cc1csc(-c2ccccc2Cl)n1 821635548 GUGMXMPCSMRGAE-UHFFFAOYSA-N 433.924 5.011 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(OCc3cscn3)c2)cc1 915087948 YNUQQDXHZCVPDS-DEOSSOPVSA-N 425.513 5.630 30 20 IKED C[C@@H]1C[C@H]1c1ccc(CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C2CC2)o1 915353534 OPLSZYKWABQPHK-XYHYBEPMSA-N 425.532 6.255 30 20 IKED CC(C)c1cccc(O[C@@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1 916887902 OWLFUHPDBNQENF-IFXJQAMLSA-N 432.492 5.240 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCCSc1ccc(Cl)cc1 916902999 JYEYUBLLNNSTBS-FQEVSTJZSA-N 428.985 5.685 30 20 IKED N#C[C@@H](C(=O)CCSc1ccccc1Br)c1nc(-c2ccccc2)cs1 917026264 DDJAKBYASOETMJ-HNNXBMFYSA-N 443.391 5.931 30 20 IKED C=CCn1c(CCN2CCCCC2)nn(CN2CCC[C@@H]2c2ccccc2Cl)c1=S 917482707 KYEQBCAXQWIIMT-OAQYLSRUSA-N 446.064 5.076 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2cccc(C(F)(F)F)c2)cs1 917532465 LEXZAOSLDNULOV-UHFFFAOYSA-N 438.862 5.946 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2[nH]c(-c3ccccc3)nc2C)cs1 917560386 MZIXVNSTKOVJMZ-RAXLEYEMSA-N 446.507 5.561 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(SC(F)(F)F)cc3)n2)cc1 920140368 CCTPOZCYRSMLOV-MRXNPFEDSA-N 429.448 5.784 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4ncncc4c3)CCC2)cc1 1786103717 UYMWBYGMOPYJMU-UHFFFAOYSA-N 440.547 5.146 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3nc(C)sc3C)cc2)CCC1 1786945967 WFKOGLKXMYWBGZ-OAQYLSRUSA-N 437.609 5.205 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)[C@@H](C)Sc3cccs3)cc2)CCC1 1789413164 CAAVXBAGQKBPMW-MRXNPFEDSA-N 446.663 5.282 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)CCC1 1790275918 MFGJZJBBLVOFOL-QFIPXVFZSA-N 448.563 5.220 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)C4CC(F)(F)C4)CCC3)cc2)c(Cl)c1 1790766385 UYRNMGVNMNXVRN-UHFFFAOYSA-N 443.881 5.005 30 20 IKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccoc4Cl)CCC3)cc2)c1 1790796363 LQJJZUTVPMOWNW-UHFFFAOYSA-N 433.895 5.175 30 20 IKED C#CC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCc4c3[nH]c3ccc(Cl)cc43)CCC2)cc1 1791202385 BUPFXEAATNEAMS-HXUWFJFHSA-N 445.950 5.009 30 20 IKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)C3=COCCC3)cc2)CCC1)c1ccccc1 1791637421 WKBMYZLHWJASPD-RUZDIDTESA-N 442.559 5.012 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccnc1 1802497674 YTJQZYPRIOAKAO-UNMCSNQZSA-N 439.987 5.047 30 20 IKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(CCC)cc2)[C@@H]1c1cccnc1 1803085736 CDGAGKIMVPRFCZ-IZZNHLLZSA-N 445.607 5.122 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCC3CCC3)CC2)c1 1824354119 AUURDQHNYDBICL-CJFMBICVSA-N 435.612 5.127 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2scnc2C2CC2)CC1 1825644242 WBWRHTUHMIYYBU-OAQYLSRUSA-N 441.641 5.022 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C23CCC(CC2)CC3)CC1 1828829242 GEVQVWTUNCQNNL-GQRYIAOYSA-N 426.645 5.345 30 20 IKED Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830001789 LUICKZLWMKHYFZ-XMMPIXPASA-N 449.982 5.067 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 1831374996 LHISHMUVGFVJDY-UZLBHIALSA-N 437.411 5.439 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc(C)cc(F)c2)CC1 1831954082 WHKBHMAZQYYKTE-LOSJGSFVSA-N 440.603 5.065 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@]3(C)CC=CCC3)CC2)c1 1832635939 ZIRYXFMVEDUJCV-LFGPKHSOSA-N 447.623 5.293 30 20 IKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2cccc(O)c2)c1 10172555 RALZNTXLZNYUHI-UHFFFAOYSA-O 433.597 5.645 30 20 IKED CCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccc(C)c(C)c2)cc1 11160537 WMYYCSMUQNCPHP-UHFFFAOYSA-O 448.612 5.352 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nncn1-c1ccc(C)c(Cl)c1 17144473 BSLCKSRUVSBAHJ-UHFFFAOYSA-N 430.986 5.238 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)c1cc(C)ccc1C 21742146 GAWICFLELRKBCZ-KRWDZBQOSA-N 425.529 5.163 30 20 IKED Cc1ccc(C[C@H](C#N)Sc2nnc([C@H](C)N3CCCCC3)n2-c2ccccc2)cc1 24849761 JGRQPUDKHVBOCQ-NZQKXSOJSA-N 431.609 5.350 30 20 IKED Cc1c(C#N)c(NC(=O)CCSc2ccc(F)c(Cl)c2)n(Cc2ccco2)c1C 115429782 NNIRCNMYEMKOAE-UHFFFAOYSA-N 431.920 5.531 30 20 IKED Cc1nc(-c2c[nH]c(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c2)cs1 195588998 AKMITYBAQJHKLR-UHFFFAOYSA-N 428.517 5.344 30 20 IKED CCOc1ccccc1-c1nnc(SCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)o1 208356654 QUMNPNLIILMYSV-STZFKDTASA-N 435.549 5.108 30 20 IKED C=CCNC(=O)c1ccccc1NC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1 302759651 ATQRHTSPUCQXRV-UHFFFAOYSA-N 435.527 5.307 30 20 IKED Cc1ccc(OC2CCN(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)cc1C 303377073 LQEVSSJRBHLJNC-FQEVSTJZSA-N 437.609 5.180 30 20 IKED N#C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(Cl)c1Cl 303419630 XYDYUYZMYVABHA-CQSZACIVSA-N 433.276 5.020 30 20 IKED Cc1ccsc1[C@@H](CO)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 429070349 BVVXTGUEYOAMAZ-LJQANCHMSA-N 441.940 5.016 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)[C@H](C#N)c3nc4c(C)ccnc4[nH]3)cc12 429581917 XQNXZVHBTWBROV-INIZCTEOSA-N 446.923 5.119 30 20 IKED CCc1noc(-c2ccc(C)c(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)c2)n1 430432332 QVTOTQMTULHIPD-UHFFFAOYSA-N 438.487 5.718 30 20 IKED C=CCN(CC1CCCCC1)C(=O)c1c[nH]c2c(Cl)cc(Br)cc2c1=O 430557545 NXPUEYLVOROAEY-UHFFFAOYSA-N 437.765 5.153 30 20 IKED Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)N[C@@H](CCCC#N)c1ccccc1 433152891 NMFKCAVDYPKFGU-QFIPXVFZSA-N 429.568 6.035 30 20 IKED CC(C)(C)Oc1ccc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 437896272 LFWSVWKCIFKEER-UHFFFAOYSA-N 429.520 6.153 30 20 IKED CC(C)CNC(=O)c1ccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1Cl 437906132 QPGSRMPORMLZRL-RBBKRZOGSA-N 438.959 5.029 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3c(F)cccc3Br)c2)cc1 438440245 UHGOGHWKAOBMMO-UHFFFAOYSA-N 425.257 5.291 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCc4c(F)ccc(F)c4C3)cc2F)c1 438658865 XDIFRKJAOXFOHI-UHFFFAOYSA-N 437.421 5.145 30 20 IKED COc1ccc([C@@H](NCc2ccc(C#N)c(OC)c2)c2ccc(C(F)(F)F)cc2)cc1 440627646 UIVYUZXEOQCZLB-QHCPKHFHSA-N 426.438 5.473 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 441095979 RZLXJOMSQFJQHP-CABCVRRESA-N 443.560 5.006 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 442684573 XPFPUOSTDVRSKF-OAHLLOKOSA-N 425.826 5.069 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl 442733262 PFHFSJDYFFYOBX-CYBMUJFWSA-N 430.360 6.635 30 20 IKED C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CCCC[C@@H]1c1ccccc1 460556942 WUEVCDLMQBFTJM-ISJGIBHGSA-N 428.580 5.831 30 20 IKED CCN(C(=O)[C@H](C)c1cccc(C#N)c1)[C@H](c1cccnc1)c1csc2ccccc12 463779570 UOCLABDBXRSISS-IQGLISFBSA-N 425.557 5.910 30 20 IKED COc1ccc([C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)c2ccccc2Cl)c(OC)c1 466386107 AWDURFMPIKUBEN-DEOSSOPVSA-N 449.938 5.160 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1 475554641 YTBAIDVNZDNEDK-SFHVURJKSA-N 436.474 5.119 30 20 IKED C=CCN(C(=O)c1cc(C)cc(Cl)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 479064012 DTFIBDLEZGSVPI-UHFFFAOYSA-N 446.981 5.008 30 20 IKED C=CCc1cc(C(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc2C)cc(OC)c1OC 480215649 JFBSRSOZYNPWMT-UHFFFAOYSA-N 445.519 5.637 30 20 IKED Cc1nc(COc2ccccc2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cs1 481878419 DXZSRVXGPSYYMG-UHFFFAOYSA-N 447.438 5.096 30 20 IKED O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 482414516 NCKLZIPKJLHBRX-JTQLQIEISA-N 444.244 5.095 30 20 IKED CCS[C@@H](C)c1noc(CN(C)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)n1 482780241 ZZRDAXXUAHXTQB-INIZCTEOSA-N 436.537 5.014 30 20 IKED CCOC(=O)c1sc(N(C(=O)C[C@@H](CC#N)c2ccccc2)c2ccccc2)nc1C 483287593 WBTWEJKSJFFPJG-LJQANCHMSA-N 433.533 5.381 30 20 IKED Cc1nc(NC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)sc1SCC#N 486041262 WNEYMGQDLIYULJ-KGLIPLIRSA-N 426.592 5.365 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2ccn(CC(F)(F)F)n2)cc1Cl 486235879 ULQITSHZBKXTQP-INIZCTEOSA-N 433.821 5.398 30 20 IKED C=C[C@H]1CCCCN1C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 488868494 JWXKXUYVHKIDGT-VZWFDDOASA-N 433.533 5.702 30 20 IKED N#Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)sc2c1-c1ccccc1CC2 497795882 SJQJUHQPWZNLMJ-UHFFFAOYSA-N 441.415 5.147 30 20 IKED N#Cc1ccsc1C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 497989585 UHXHCJKGVFVLOX-UHFFFAOYSA-N 427.363 5.323 30 20 IKED CCCc1nc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nn1-c1ccccc1Cl 501343903 UJDSYBFAVBIITI-MRXNPFEDSA-N 447.951 5.487 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)s2)c(C)c1 504750025 KDMQCIBAQTZZEN-UHFFFAOYSA-N 431.561 5.291 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCOc2c(Br)cccc21 505309938 HGYUHIAGFBXEDF-XJKSGUPXSA-N 446.370 5.489 30 20 IKED COc1cc(OC)c(NC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1Cl 505445234 WHIFGPNHRKFPSW-ZDUSSCGKSA-N 448.331 5.380 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(Br)cc2Cl)cc1 508140548 BTSJHWATDJUARJ-UHFFFAOYSA-N 433.733 5.169 30 20 IKED C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@H](c2nccs2)C1 508495948 XCPFLFOEXILXNM-SFHVURJKSA-N 448.621 5.404 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1Cl 510023074 JFUXOROFSHRTLU-ISKFKSNPSA-N 433.914 6.504 30 20 IKED N#Cc1ccccc1CSCCNC(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 511466129 SBVYYKDDJXNRAI-UHFFFAOYSA-N 448.523 5.005 30 20 IKED C[C@@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)C(=O)Nc1c(F)cccc1F 512767817 VRWQFORKQSOBEI-GFCCVEGCSA-N 425.460 5.099 30 20 IKED C[C@H](CCC(=O)Nc1ccc(Cl)c(C#N)c1)CC(=O)Nc1ccc(Cl)c(C#N)c1 514430820 DTGFTFMDUCPXEP-CYBMUJFWSA-N 429.307 5.120 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(Cc4ccccc4)n3)n2)cc1 516714126 QLPCALUANVMRJV-GOSISDBHSA-N 431.542 5.356 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](c1ccccc1)c1ccc2ccccc2c1 517605770 ZHEBJTKLUXNGOE-MUUNZHRXSA-N 436.559 5.405 30 20 IKED CCCN(Cc1c(F)cccc1Cl)C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N 519442548 PFFYGXSKFHFSSA-HNNXBMFYSA-N 447.963 5.108 30 20 IKED Cc1nc(-c2ccc(CNC(=O)Nc3ccccc3SC[C@@H](C)C#N)s2)cs1 519451399 CQBUZELGUWAMRS-ZDUSSCGKSA-N 428.608 5.754 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCCc4cccc(OC(F)F)c43)c2)c1 522311980 XZLXKAVRLZPTRY-UHFFFAOYSA-N 434.442 5.332 30 20 IKED CCC(=O)Nc1ccc(Cl)c(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1 523627070 FHQGSWWTHOKDBJ-UHFFFAOYSA-N 440.931 5.072 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)c1 523957020 QUWKFWNUKMANKV-UHFFFAOYSA-N 426.476 5.059 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3)cc2F)c1 524461180 MHLJNAWJDXURDJ-UHFFFAOYSA-N 446.869 5.368 30 20 IKED CCOc1ccc([C@H](C)NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1OC 524492113 CUXQYZWGFNBMRV-SFHVURJKSA-N 430.504 5.036 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)[C@H](C)c1ccccc1Br 533568212 QIYLLHJWJXFUKM-LSDHHAIUSA-N 432.387 5.926 30 20 IKED Cn1c([C@H](C#N)C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)nc2ccccc21 534189901 DUGXJLAAAKTRGT-QGZVFWFLSA-N 426.863 5.381 30 20 IKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(C)n2[C@H]2CCC[C@H](C)C2)ccc1Cl 534606488 YJDMYZYJHBDYNQ-KXBFYZLASA-N 446.020 5.339 30 20 IKED COCCOc1c(Cl)cc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1Cl 538032095 BEICMEAOTCSDAC-PXNSSMCTSA-N 448.350 5.322 30 20 IKED CCN(CC)c1ccc(-c2nnc(SCCCC3(C#N)CCOCC3)n2CC)cc1 538570282 PGGKYDDHGQRVHD-UHFFFAOYSA-N 427.618 5.004 30 20 IKED CC(=O)CCc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 542001945 XCORVKQJFNIZRB-SFTDATJTSA-N 440.543 5.392 30 20 IKED CN(C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 543606409 DIDZCNIDJJJBCI-RCZVLFRGSA-N 445.494 5.874 30 20 IKED CCN(C(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@H](c1ccc(C(C)C)cc1)c1cccnc1 544000118 ADVSLEVCWXRARM-HHHXNRCGSA-N 449.558 5.514 30 20 IKED N#Cc1cc2c(nc1NC(=O)c1sc3cc(C(F)(F)F)ccc3c1Cl)CCCC2 548192376 USNCEQCUNXCLPM-UHFFFAOYSA-N 435.858 5.971 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2CCOc3ccc(F)cc32)cc1 548696557 HPBIBTWRTNBBHJ-HSZRJFAPSA-N 433.458 5.072 30 20 IKED C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1csc([C@@H](C)OCC)n1 549603941 MXZOTQKXWGJDIG-MRXNPFEDSA-N 446.020 5.289 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1 549926512 VOVXKXHYLUQPKN-UHFFFAOYSA-N 427.907 5.052 30 20 IKED C[C@@H](CC(C)(C)c1c[nH]c2ccccc12)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 550899736 ZREIYVGPECZABX-IBGZPJMESA-N 428.580 5.919 30 20 IKED C=CCOc1c(Br)cc(CNC2(c3cccc(C#N)c3)CC2)cc1OCC 551577110 RQQIQLNXOLROHZ-UHFFFAOYSA-N 427.342 5.063 30 20 IKED CC(C)Oc1ccc(Cl)cc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 554996900 IYSFCEKLJRMODX-UHFFFAOYSA-N 431.895 5.213 30 20 IKED CC(C)c1cc(Br)ccc1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 556954888 NEIKTCYUMDQKDO-UHFFFAOYSA-N 444.348 5.438 30 20 IKED Cc1cc(C(=O)N(Cc2ccco2)c2ccccc2C#N)ccc1NC(=O)c1cccs1 559823075 NHMZAXQXYLHEFS-UHFFFAOYSA-N 441.512 5.621 30 20 IKED Cc1cccc(Oc2ccccc2NC(=O)C(=O)N[C@@H](CCCC#N)c2ccccc2)c1 560281314 MZPFGBQLFPJGQB-QFIPXVFZSA-N 427.504 5.277 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(Br)s1 569397154 CIWOVWZDKQMPAU-GFCCVEGCSA-N 443.326 5.452 30 20 IKED C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC2(CC1)OCCc1ccsc12 573627387 HGVCEVKGGFGTFY-UHFFFAOYSA-N 441.000 5.305 30 20 IKED CC(C)CN(C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1ccc(C#N)cc1 603529913 UDYRPFIUVKLSGM-UHFFFAOYSA-N 440.572 5.801 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccco3)Cc3cccs3)cn2)c1 603691948 ZFXAZUNRGKJPRI-UHFFFAOYSA-N 430.489 5.634 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-c2ccc(F)cc2)s1 603738950 LXKACUNRZWYGQE-UHFFFAOYSA-N 429.476 6.174 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1Cl 603766720 VEFUGHBKIKQVQG-AVRDEDQJSA-N 435.955 5.115 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F 608876659 RGEKIEIBPZXZHU-UHFFFAOYSA-N 443.429 5.277 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(F)c(F)cc3Cl)cc2Cl)c1 609062982 MMYYCDUROZKTGD-UHFFFAOYSA-N 433.241 5.975 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1Cc1ccccc1 609078567 ZROZPULAOMQIHG-XMMPIXPASA-N 425.532 5.685 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3occc3COc3cccc(C#N)c3)c2)cc1 609176454 LOTOADPJJNJHDH-UHFFFAOYSA-N 435.439 5.647 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Br)s1 609381716 OIMIMFZVYVYFRC-UHFFFAOYSA-N 435.290 5.787 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(Cc4nnc5ccccn45)cc3)c2)cc1 609508482 ZDYCJPNQJMZEOI-UHFFFAOYSA-N 445.482 5.236 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCCn1cnc2ccccc21 609526098 QJFISLBYUPQRIN-UHFFFAOYSA-N 426.495 5.369 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N(Cc3ccco3)Cc3cccs3)c2)c1 609640390 GJMMPDMIFZQKNM-UHFFFAOYSA-N 428.513 5.634 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 609723187 SALSRZHUKNEBAN-UHFFFAOYSA-N 445.906 5.164 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(OCC4CCOCC4)cc3)c2)cc1 609908620 KHMXHISIELVKOG-UHFFFAOYSA-N 428.488 5.408 30 20 IKED CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 610319605 CTWRIBSEWDXXMR-UHFFFAOYSA-N 449.514 5.862 30 20 IKED CN(Cc1c(F)cccc1Cl)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612804225 GALRQNHFRHMZMN-URLYPYJESA-N 434.783 5.530 30 20 IKED O=C(CCN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)Nc1ccccc1C(F)(F)F 675953983 VJZOZKXYDIOQDH-GHMZBOCLSA-N 436.318 5.097 30 20 IKED N#C[C@@H](C(=O)c1ccc(CCC(F)(F)F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 676998610 XCBSUBCCNWUCAN-AWEZNQCLSA-N 442.384 6.300 30 20 IKED Cc1ccc(F)c(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1Br 683734627 IURJTWOMMNHHTN-RKDXNWHRSA-N 436.165 5.100 30 20 IKED O=C(NC[C@H]1CCC(F)(F)C1)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 684676165 VOYIRNAYOGSJDQ-JTQLQIEISA-N 441.322 5.075 30 20 IKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(F)ccc2F)c1 726571644 ZXOYKHSLVZRJAT-UHFFFAOYSA-O 442.898 5.409 30 20 IKED CC(C)Oc1ccc(N2C(=O)/C(=C\c3ccc(N(C)CCC#N)cc3)SC2=S)cc1 726631028 ZNUZIUFMMRIIMF-RCCKNPSSSA-N 437.590 5.229 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)/C=C/c1ccccc1Cl 728015736 CVVRVQHWMMYMEI-VAWYXSNFSA-N 438.936 5.512 30 20 IKED O=C1/C(=C\c2cccnc2Cl)CCc2nc(-c3ccccc3Br)sc21 730436035 JTNLKZXHLGNSGP-KHPPLWFESA-N 431.742 5.834 30 20 IKED C=CCn1c(S)nnc1-c1sc(NC(=O)[C@H]2C[C@H]2c2cccc3ccccc23)nc1C 730830767 XJOXOVGVVXJUGI-ROUUACIJSA-N 447.589 5.080 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nc(-c2ccc(F)cc2)cs1 730948180 BJNXGVRIBYQYSN-AWEZNQCLSA-N 443.594 5.932 30 20 IKED N#Cc1ccc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1C(F)(F)F 731478421 GSXSHWVDYZXGFT-UHFFFAOYSA-N 429.364 5.045 30 20 IKED COc1ccc(/C=C2\CCc3nc(-c4ccccc4F)sc3C2=O)cc1OCCCC#N 731939619 ZOSMJZWQKBBZKA-SAPNQHFASA-N 448.519 5.853 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)c1 733771803 VDMLEVKUSSKMGF-FQEVSTJZSA-N 427.529 5.320 30 20 IKED CCOc1cc(/C=C2\Cc3cc(F)ccc3C2=O)ccc1OCC(=O)Nc1ccccc1 734304990 DCXYEBIQNXEYMZ-XDHOZWIPSA-N 431.463 5.064 30 20 IKED C[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ncc(-c2ccccc2)o1 740058863 DPMMKZUELFZRQZ-MRXNPFEDSA-N 428.517 5.502 30 20 IKED N#Cc1ccc(SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)c(F)c1 741858614 HABPABVLRSZRSB-UHFFFAOYSA-N 426.925 6.272 30 20 IKED FC(F)(F)c1cccc(Oc2cccc(C=Nn3c(S)nnc3[C@@H]3CCCO3)c2)c1 745986659 OFCSLWBSLNQXOB-KRWDZBQOSA-N 434.443 5.112 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2cccc3ccccc23)cs1)c1ccc(F)cc1F 745998384 RPPYZQPHNFTUCI-ZRDIBKRKSA-N 434.467 6.155 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)NCc2cc(C#N)ccc2F)nc1-c1ccccc1 748635065 NDKOEEKTXISTAO-OAQYLSRUSA-N 432.499 5.522 30 20 IKED N#Cc1ccc(/C=C2\CC(C#N)(c3ccccc3)C/C(=C\c3ccc(C#N)s3)C2=O)s1 748997815 HOGYEGXNAVZPBY-ODPUSEOTSA-N 437.549 5.844 30 20 IKED N#Cc1cccc(COc2ccc(NCc3ccc(C(=O)N4CCCC4)cc3)cc2F)c1 749272697 QKQYSYLGNQRJJT-UHFFFAOYSA-N 429.495 5.124 30 20 IKED N#Cc1cc(NC(=O)CCCCc2ccc(Cl)c(Cl)c2)ccc1N1CCC(O)CC1 753301286 XYLQPSKKVAPLGE-UHFFFAOYSA-N 446.378 5.178 30 20 IKED C[C@@H](OC(=O)CSc1ccc(C#N)cc1)c1nnc(-c2ccc(Cl)cc2Cl)o1 758013821 IOIDVJCVVFLAIR-LLVKDONJSA-N 434.304 5.312 30 20 IKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc(F)c(C(F)(F)F)c(F)c1 759430368 FERSRQIWTAUMGA-NSHDSACASA-N 437.151 5.252 30 20 IKED C=CCOc1ccc(/C=C/c2nc(Cc3nc(-c4ccccc4)oc3C)no2)cc1OC 761492012 ULCAAPQSHJLNBY-ACCUITESSA-N 429.476 5.368 30 20 IKED CC(C)(C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccc([N+](=O)[O-])cc1F 762996348 RVUMXRPGYLJPJS-HNNXBMFYSA-N 443.887 5.665 30 20 IKED CCOCCCn1c(NN=C(C)c2ccc(SC)cc2Cl)nc2ccccc2c1=O 763359998 WZESPHUGOYJOCG-UHFFFAOYSA-N 444.988 5.035 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)COc3ccc(C4SCCCS4)cc3)CC2)cc1 767972808 RKBOQWIPDPKWTM-UHFFFAOYSA-N 436.602 5.122 30 20 IKED CC(C)c1nn(-c2ccc(Br)cc2)cc1/C=C1/CCc2nc(O)ccc2C1=O 769614164 IISRLGYGZFUBNX-KAMYIIQDSA-N 438.325 5.071 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(N2C(=O)N[C@H](c3cc(F)ccc3F)C2=O)cc1Cl 771820793 WAMXYRGQVWCKQC-GHTZIAJQSA-N 437.833 5.071 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2csc(-c3csc(C)n3)c2)ccc1OC 772979781 MWKVXPQPHDSPGM-KBXCAEBGSA-N 427.595 5.720 30 20 IKED Cc1ccccc1-c1nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)s1 773978316 BMGBIAFANFOIGS-OAHLLOKOSA-N 427.888 5.181 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1coc(-c2ccccc2Cl)n1 776513852 AKOMSALZHXMBJI-GFCCVEGCSA-N 434.666 5.263 30 20 IKED CC(=O)N1C/C(=C\c2ccc(-c3cccc(Br)c3)o2)C(=O)c2ccccc2C1 778520074 NUUKRFJEEPGIOJ-LDADJPATSA-N 436.305 5.338 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2cc(Br)cc(C)c2O)ccc1OC 779032001 MGHCQSMAHQAGNT-PBHICJAKSA-N 433.346 5.004 30 20 IKED CCN(CC)[C@H](C(=O)[C@H](C#N)c1ccc2ccccc2n1)c1cccc(C(F)(F)F)c1 780304059 ZSBRLJUSKCIZIG-KNQAVFIVSA-N 425.454 5.513 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 780672291 ATDQHPCLJVYXQR-BUXKBTBVSA-N 438.286 5.029 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 782029445 TURUWUCTZWUOIF-IBGZPJMESA-N 442.302 5.042 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 788348176 HHHVYXXVNIXTTE-NUEKZKHPSA-N 446.450 5.312 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2)cc1 796634477 LMYKTLCJICHKHX-YTQUADARSA-N 439.581 5.330 30 20 IKED O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)[C@H](F)c1ccc(C(F)(F)F)cc1 801659813 SMQSIDMKETVRGF-MRXNPFEDSA-N 431.311 5.559 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@H](F)c1ccc(C(F)(F)F)cc1 801661908 WYEWWCXXGQUIIB-CYBMUJFWSA-N 429.263 5.558 30 20 IKED N#Cc1ccc(Br)c(CNc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)c1 864029345 KRDVJPBFCNLVCX-UHFFFAOYSA-N 446.348 5.065 30 20 IKED COc1ccc(-c2nc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cs2)cc1 915085747 BENIMVNFXDZPJU-QFIPXVFZSA-N 425.513 5.726 30 20 IKED C[C@H](NC(=O)c1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103115 OXYOETHTDOVDHZ-LRDDRELGSA-N 444.343 5.112 30 20 IKED CC(C)[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc2c(c1)OCCO2 915351785 GHJHQLAJFBDYKG-JYFHCDHNSA-N 441.531 5.632 30 20 IKED Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915777053 GPIYFYKVNPPWSP-GOTSBHOMSA-N 441.531 5.012 30 20 IKED Cc1ccccc1-c1nnc(S)n1N=Cc1sc(Oc2ccccc2)nc1Cl 915952963 CJLJFEOSELXHJR-UHFFFAOYSA-N 427.942 5.327 30 20 IKED COc1cccc(Cc2cnc(NC(=O)c3ccc(COc4ccccc4C#N)o3)s2)c1 917001772 FOUNUIGYEJMGAW-UHFFFAOYSA-N 445.500 5.038 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2cc(Br)cs2)n1)c1nc2ccccc2o1 917510176 VBLOEVUXULTUKQ-LBPRGKRZSA-N 444.335 5.194 30 20 IKED N#Cc1cccnc1Oc1ccccc1NCC(=O)Nc1ccc(SC(F)F)cc1 917813121 RRJAJSNZYPLIAC-UHFFFAOYSA-N 426.448 5.111 30 20 IKED CCn1c(O)nc2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)ccc21 1136343859 LZJKJSFHQXXYNH-UHFFFAOYSA-N 432.867 5.331 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(Cl)cc(C)nc4c3)cc2)CCC1 1789220172 IAUXUAGUTYGIFX-UHFFFAOYSA-N 433.939 5.520 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cn4c(F)cccc4n3)CCC2)cc1 1789625398 BNTFZNBGUIYTOM-UHFFFAOYSA-N 448.542 5.214 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4c3cnn4C)CCC2)cc1 1789626476 QLPBZMOJHPQYJM-UHFFFAOYSA-N 444.579 5.313 30 20 IKED CC(C)(F)C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)cc2)CCC1 1790785098 KVTDQZILTQEAAJ-UHFFFAOYSA-N 447.432 5.073 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cccc4cccnc34)CCC2)cc1 1791298615 JBBVYBNEDUAYBF-UHFFFAOYSA-N 435.474 5.194 30 20 IKED Cc1cc[nH]c1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792123238 PAAVYWAOPQTOFQ-GOSISDBHSA-N 426.520 5.012 30 20 IKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3cccc(Cl)c3)CCCC1)C2 1801641339 AQUXPQSPAGADLQ-MVWVFHAYSA-N 429.004 5.002 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C)c(C)c2)[C@@H]1c1cccnc1 1802496394 QJEFDGFSHAJSSF-DNQXCXABSA-N 433.596 5.010 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)C[C@H](C)c2ccccc2)[C@H]1c1cccnc1 1810183837 YHWLAAATCPINCE-CIMCOABOSA-N 445.607 5.050 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3cc(C)[nH]c23)n[nH]1 1818651803 ZEFNBPLRACJPLO-DENIHFKCSA-N 445.567 5.274 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](C)c2cccs2)[nH]n1 1819309544 CWGHFICUXMVXSZ-YQVWRLOYSA-N 426.586 5.035 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(F)cc2)[nH]n1 1819556720 LFVPGVJBVKRFSH-NRFANRHFSA-N 440.563 5.166 30 20 IKED CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)CC1 1820551271 MDRRPINJZPCEJI-HARLFGEKSA-N 447.583 5.194 30 20 IKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(C)(C)C)s2)CC1 1827906624 PAEWRZIMZMBXRI-HXUWFJFHSA-N 428.642 5.082 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3cc[nH]c23)CC1 1828314602 VQHBXLQMRATHMF-HSZRJFAPSA-N 435.612 5.394 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(Cl)s2)CC1 1828821707 QCBVSAHXANWRTG-RTWAWAEBSA-N 449.060 5.332 30 20 IKED CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)CCCCC1 1831791107 SZODTNHGLSOUPZ-VWLOTQADSA-N 449.639 5.081 30 20 IKED Cc1cc(Cl)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1 1832609873 LERGEGUVWBTJOZ-XMMPIXPASA-N 449.982 5.067 30 20 IKED Cc1cccc(C)c1NC(=O)COC(=O)c1ccccc1SCc1ccc(C#N)cc1 9073378 DAPIQKZSXOVWJZ-UHFFFAOYSA-N 430.529 5.263 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccccc2CC)cc1 10173842 IWLOTVFZKPPPSZ-UHFFFAOYSA-O 441.523 5.264 30 20 IKED N#Cc1ccc(COC(=O)CSc2ncnc3scc(-c4ccccc4)c23)c(F)c1 10611296 ZVYOXJRUVGMTNA-UHFFFAOYSA-N 435.505 5.205 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(Cl)cc2)cc1 10832455 KUAKDTWJBUNIPM-UHFFFAOYSA-O 431.915 5.519 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)=C(/S)Nc1c(C)cccc1C 11153251 OYJDQLVGHZFJJO-UHFFFAOYSA-O 448.612 5.352 30 20 IKED Cc1c(C#N)c(NC(=O)CN(C)[C@H](C)c2nc3ccccc3s2)n(C2CCCC2)c1C 14072979 NJDVLRKYEHXEOO-QGZVFWFLSA-N 435.597 5.333 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)OCc2cc(F)cc3c2OCOC3)cc1 16698641 ZPJYGUBVYFIAML-UHFFFAOYSA-N 435.476 5.213 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cccc(Cl)c2C)c1 22728200 HNMMLHPUMYOWAM-UHFFFAOYSA-O 431.915 5.573 30 20 IKED C[C@H](NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)c1ccc(C#N)cc1 26110663 HMHLHVCEZPBPBJ-INIZCTEOSA-N 429.570 5.830 30 20 IKED O=C(/C=C\c1cccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc([N+](=O)[O-])cc1 108213384 TWXGOHFMEDERCI-WPXFVRNCSA-N 428.400 5.295 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(Cl)cc2)nnc1-c1cccc(C)c1 255933078 CQZSKWIGPQGZEN-MRXNPFEDSA-N 426.973 5.062 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)c2)cc1 303223918 WEBRLCJQLGZZNS-UHFFFAOYSA-N 430.467 6.146 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1coc(-c2cccs2)n1 303285687 NEQYKVQBPBHMGV-UHFFFAOYSA-N 435.318 5.062 30 20 IKED C=CCc1ccc(OCC(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)c(OC)c1 303548115 GZNUFKVNDXXQIZ-UHFFFAOYSA-N 429.822 5.036 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)cc1 303848640 KESHFWSTONGBBX-VQTJNVASSA-N 444.453 5.142 30 20 IKED C[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 426657422 ONQCOZRCTYYZKK-MRXNPFEDSA-N 433.895 5.162 30 20 IKED C[C@H](SCc1nnnn1CC(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 432233857 TUKCAYVPKPWXLB-ZETCQYMHSA-N 438.319 5.267 30 20 IKED N#Cc1ccsc1N1CC[C@@H](Sc2nnc(-c3ccccc3)c3ccccc23)C1=O 434796642 QWPSMNQHAQLMCM-LJQANCHMSA-N 428.542 5.128 30 20 IKED COc1cc(OCc2csc(N(C(C)=O)c3cccc(C(F)(F)F)c3)n2)ccc1C#N 436264663 WUAQEGUDIHHKSX-UHFFFAOYSA-N 447.438 5.306 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCCC3(CCCC3)C2)c1 438693084 RZJXMDZLUIBJMT-UHFFFAOYSA-N 433.577 5.085 30 20 IKED CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)CSc2ccc(C#N)cc2)n1 439658307 MMLDBDRYNKGNKY-UHFFFAOYSA-N 426.929 5.191 30 20 IKED N#Cc1cc(N(C#N)CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)ccc1F 439722210 VOWHOPHCNWSRIB-UHFFFAOYSA-N 436.899 5.428 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC(C(=O)N(CC)CC)CC1)c1ccc(C(F)(F)F)cc1 441535130 NBTIGXAXVQOLLE-HXUWFJFHSA-N 439.522 5.003 30 20 IKED CN(C(=O)C(=O)Nc1ccc(C#N)cc1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 441862669 FXDGUDKTUZCOPT-UHFFFAOYSA-N 438.314 5.052 30 20 IKED N#Cc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1C(F)(F)F 443883298 VGUOTTBCOLZXPW-UHFFFAOYSA-N 433.393 5.077 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)c2ccccc21 444044223 IOOJHRQMXWVHBB-UHFFFAOYSA-N 444.922 5.825 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)c2ccccc21 444179072 CJNUYTUCSLQWHO-UHFFFAOYSA-N 449.514 5.424 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1C#N 445564085 DRSZFXUWHXROJD-CYBMUJFWSA-N 428.970 5.239 30 20 IKED CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)C1 460157276 RQLANINIAUYAIS-RXVVDRJESA-N 437.971 5.030 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(F)c3Cl)s2)c(C(F)(F)F)c1 463288349 CDZANEYYPAPXBQ-UHFFFAOYSA-N 439.821 5.669 30 20 IKED CN(C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)[C@H]1CCCC[C@H]1C(F)(F)F 463674121 JAZVUSRYTWJXFF-DYEKYZERSA-N 448.354 5.654 30 20 IKED Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)N[C@H](C#N)c2ccc(Cl)cc2)cs1 464404811 NEWYDLKTGJFLPX-GOSISDBHSA-N 427.932 5.570 30 20 IKED CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 464985689 MHWGOJRTFMHEEX-UHFFFAOYSA-N 440.547 5.124 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@@H](CC(F)(F)F)c3ccccc3)ccc21 470543960 PNKQWOLXQJPMDY-IBGZPJMESA-N 444.457 5.085 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccccc3OC3CCCCC3)ccc21 470850081 YNRSRJQKBMGCME-UHFFFAOYSA-N 431.536 5.233 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@@H]1CCCC[C@@H]1N(C)C1CCN(C)CC1 475564300 ACHIXLRDRXDGHD-LOSJGSFVSA-N 440.676 5.339 30 20 IKED Cc1cc(OCc2cccc(Cl)c2)ccc1NS(=O)(=O)c1ccccc1CC#N 475784783 AFFASZQRNZHSNK-UHFFFAOYSA-N 426.925 5.094 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc3ccccc3c2)nnc1-c1cccs1 481391169 GTHUEYHUAOYYSQ-MRXNPFEDSA-N 434.590 5.315 30 20 IKED C[C@@H](NC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1ccon1 482338344 SDNWSDUZLHDQDA-JMCQJSRRSA-N 449.273 5.376 30 20 IKED CCCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 483633502 GQHDEKRHQOUBCX-WXVAWEFUSA-N 429.539 5.945 30 20 IKED N#C[C@@H](C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 484560836 SVICHWBNQPWNCR-IBGZPJMESA-N 431.904 5.513 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Oc3ccccc3)cn2)cc1C 487387405 PUMYMLTYQJFZFZ-UHFFFAOYSA-N 437.503 5.520 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1oc2ccccc2c1CSc1nnc(C)s1 499630629 IQTMKBOPNDHLDN-UHFFFAOYSA-N 436.518 5.018 30 20 IKED CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 500766053 IPMXBSQRSDFJAF-HXUWFJFHSA-N 442.515 5.587 30 20 IKED CC(C)(C)Cc1nc(-c2cccc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c2)no1 503879952 ZOZUQFBDQKLCEA-UHFFFAOYSA-N 426.520 5.126 30 20 IKED Cc1nc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)sc1SCC#N 504684334 IWEOIHIWBIYQDI-UHFFFAOYSA-N 425.379 5.357 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)cc1 506901353 YEGSMOVPPMVBOQ-UHFFFAOYSA-N 442.825 5.233 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCCC[C@H]3c3ncc(-c4ccccc4)[nH]3)cc2)nc1 507269862 KSTNJYMYPSOTBR-DEOSSOPVSA-N 449.514 5.503 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCCOc3ccc(F)cc32)cc1 508273218 KPJOTBQYFOBJPG-OAQYLSRUSA-N 447.466 5.534 30 20 IKED Cc1ccc2nc(COc3ccc(C(=O)Nc4cc(C#N)ccc4OC(C)C)cc3)cn2c1 509604662 NOIUGPZKCIYAMI-UHFFFAOYSA-N 440.503 5.133 30 20 IKED CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cc(C#N)ccc1OC(F)F 509926529 HLVGPEQPUDZZBX-UHFFFAOYSA-N 427.373 5.621 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3ccc(F)cc3-c3ccc(F)cc3)CC2)c(F)c1 511166142 DAJCQSLCHOHSEP-UHFFFAOYSA-N 435.449 5.498 30 20 IKED COc1ccc2[nH]cc(C3CCN(Cc4ccc(OC)c(OCCCC#N)c4)CC3)c2c1 511943595 TYMCSBQOJBHSJQ-UHFFFAOYSA-N 433.552 5.247 30 20 IKED Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1cccc(COc2ccccc2C#N)c1 513222274 GUWZNONRKDCCOX-UHFFFAOYSA-N 441.531 5.683 30 20 IKED COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(OC)c1OC 514471846 COEXEPUZTOEMTH-CYBMUJFWSA-N 428.554 5.049 30 20 IKED CC(C)c1ccc(CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 516079945 VMRRMNSWGNWIIW-UHFFFAOYSA-N 443.572 5.342 30 20 IKED CC[C@@H](c1cccc(OC)c1)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 516111879 JONIKTHLYHDALG-DEOSSOPVSA-N 442.519 5.434 30 20 IKED N#Cc1c(NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)sc2c1-c1ccccc1CC2 517163206 KITQMDZCZMFBOG-UHFFFAOYSA-N 445.931 5.875 30 20 IKED COc1ccc([C@H](NC(=O)NCCSCc2ccccc2C#N)c2ccc(F)cc2)cc1 517771010 BKAXESOGVDXBML-XMMPIXPASA-N 449.551 5.028 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1csc(C2CCCC2)n1 518132185 SXLBKRPXUSKBRT-HNNXBMFYSA-N 431.652 6.067 30 20 IKED N#C[C@@H](NC(=O)CCSc1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 518320313 GFCVJIUTMVGHNJ-MRXNPFEDSA-N 443.288 5.331 30 20 IKED CSc1nccn1-c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 518516431 BPYAUMPWUUKSCC-LJQANCHMSA-N 441.541 5.079 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 519445755 SHEQRBLDFNSPAB-UHFFFAOYSA-N 439.559 5.182 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 520144956 KCSIQHYSYRTGLG-FQEVSTJZSA-N 438.531 5.269 30 20 IKED Cc1nc(NC(=O)[C@@H](Oc2ccc(Cl)cc2)c2ccccc2)sc1SCC#N 521555167 IINYIWMAUQOJMA-KRWDZBQOSA-N 429.954 5.479 30 20 IKED COc1ccc(-n2c(S[C@@H](C#N)C3CCCCC3)nnc2-c2ccccc2OC)cc1 522332689 GFEKMWCIPSMPCV-QFIPXVFZSA-N 434.565 5.516 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 522830253 WAEJHMVEAVOKJT-MRXNPFEDSA-N 432.480 5.123 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](c3ccccc3C)[C@@H]3CCC[C@@H](C)C3)CC2)o1 526004444 YILXEMLDDDTUCN-JKHABCDFSA-N 434.584 5.063 30 20 IKED C=CCn1c(SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)nnc1-c1cccs1 534092957 ZPCVZRKDRHPQMO-UHFFFAOYSA-N 425.495 5.048 30 20 IKED Cc1nnc(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)n1[C@@H]1CCC[C@H](C)C1 536089399 GQNWWJCCFGLFIF-GOEBONIOSA-N 443.642 5.271 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CNC(C)(c1ccccc1)c1ccccc1 537104244 OHDJRSUPHOOBRE-FQEVSTJZSA-N 429.589 5.430 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1ncccc1C(F)(F)F 537740363 PRNLHRRPZCNLSR-UHFFFAOYSA-N 432.242 5.313 30 20 IKED COc1cc(CN[C@@H](c2ccccc2)[C@@H]2CCOC2)ccc1OCc1cccc(C#N)c1 540399758 ZWZBTPHORWWJDJ-SQHAQQRYSA-N 428.532 5.013 30 20 IKED Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 542035195 XVMGIDYHQXASGN-AWEZNQCLSA-N 442.976 5.511 30 20 IKED Cc1ccsc1[C@@H](Cc1ccccc1)NCC(=O)Nc1ccccc1S[C@@H](C)CC#N 544416162 ZQLWTSFQNYEZLC-SIKLNZKXSA-N 449.645 5.963 30 20 IKED CCc1nnc(-c2ccc(NC(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)cc2)o1 557561708 SIXJPQCWJSVMHD-UHFFFAOYSA-N 449.942 5.069 30 20 IKED N#CCCn1cc(CN(CCn2ccnc2)Cc2cccc(Cl)c2)c(-c2ccccc2)n1 561979942 KPXCHOMQWHNKKG-UHFFFAOYSA-N 444.970 5.016 30 20 IKED N#Cc1ccc(N2CC[C@@H](C(=O)N(c3ccccc3)c3nc4ccccc4s3)C2)c(F)c1 567018982 UMSFWMRKPQOOSJ-GOSISDBHSA-N 442.519 5.498 30 20 IKED Cc1cc(Cl)ccc1Cc1cnc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)s1 569126043 YBHYFABXQXHQQI-UHFFFAOYSA-N 436.846 5.234 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Nc2cnn(CC(C)C)c2C2CC2)cc1 571391091 XFMBQZKIZWLDCE-UHFFFAOYSA-N 445.523 5.733 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(CN4CCCC4)cc3)cc2)cc1 582503221 HQWUESQQTTZMCJ-UHFFFAOYSA-N 426.520 5.268 30 20 IKED O=C(Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1)C1(C(F)(F)F)CC1 586805075 QQNFMGFYEJLWSA-UHFFFAOYSA-N 444.328 5.294 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)cc1 589323363 ADUZKPBXQQTABY-UHFFFAOYSA-N 428.454 5.190 30 20 IKED C[C@@H](C#N)CN(C)C(=O)NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 603746192 XTGWLQMPVKKKKR-KBXCAEBGSA-N 429.351 5.408 30 20 IKED C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 603758686 ATVDARRDXXSEGY-UZFJHSOTSA-N 443.934 5.842 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](c4cc5ccccc5[nH]4)C3)cc2)cc1 604461470 ZQIHGLFDDWNUJR-OAQYLSRUSA-N 436.515 6.243 30 20 IKED CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 608638133 MOUHPRCJHUTKLM-ZQIUZPCESA-N 442.419 5.602 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2cc(C#N)ccc2OC(F)F)ccc1OCC(C)C 609082227 GSNVWXYBYITQBV-CQSZACIVSA-N 433.455 5.086 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1Cl 609098786 NRSSNICDPBIVQR-QHCPKHFHSA-N 426.907 5.493 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCCO[C@H](c4ccccc4)C3)cc2F)c1 609254124 IHMJJJGNSBFHON-VWLOTQADSA-N 445.494 5.272 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCCO[C@@H](c2ccccc2)C1 609254203 JTUYJLCUSJIXRZ-AREMUKBSSA-N 441.531 5.441 30 20 IKED N#C[C@H](NC(=O)Cc1c[nH]c2ccc(Cl)cc12)c1ccc(OCc2ccccc2)cc1 610063310 OBDHDLMBIKTENG-DEOSSOPVSA-N 429.907 5.324 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CC(Cc4ccc(C(F)(F)F)cc4)C3)o2)cc1 610660628 ZJVCXNLQEOYCKK-UHFFFAOYSA-N 440.421 5.064 30 20 IKED C[C@@H](N[C@@H]1CCCc2nc(-c3ccccc3Br)sc21)c1cccc(C#N)c1 610830529 YTGDHABMGRPZBZ-AUUYWEPGSA-N 438.394 6.172 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCC(OCc4ccccc4F)CC3)c2)cc1 611261672 DIPWZEBITZFJFZ-UHFFFAOYSA-N 444.506 5.098 30 20 IKED N#Cc1ccccc1COc1cccc(CN2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c1 611276674 RRKFKFQDAIIMBU-OALUTQOASA-N 428.376 5.310 30 20 IKED COc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)sc2C)cc1 613391919 ACDJZFRSFFROHS-FQEVSTJZSA-N 430.554 6.346 30 20 IKED C=CCOc1ccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1OC 614162071 RTCOKUNRFJHSDH-UHFFFAOYSA-N 426.900 5.074 30 20 IKED O=C(CCc1ccc(-c2ccccc2F)o1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618300673 CWPYUVJILRTJNL-BETUJISGSA-N 437.355 5.608 30 20 IKED CC(C)(C)N(Cc1cccc(F)c1)C(=O)CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618450582 LPGSKPJYSDLEFF-HUUCEWRRSA-N 442.419 5.016 30 20 IKED C=CCn1c(S[C@@H](C(=O)NCc2ccccc2F)C(C)C)nnc1-c1cccc(C)c1 639426648 HALJAZKYVSCJFS-OAQYLSRUSA-N 438.572 5.012 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 642157836 LCKJUYRFAVWWCB-GJKBLCTNSA-N 447.341 5.835 30 20 IKED Cc1cc2ncc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)c(C)n2n1 642281550 JADSHYAXBCYEDB-CQSZACIVSA-N 442.331 5.267 30 20 IKED C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CC[C@H](c2ccco2)C1 669811312 JBPLOGUETLCXBH-NRFANRHFSA-N 426.520 5.297 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N(C)Cc2ccccc2OC(F)(F)F)c1C(F)F 676149255 BZKAYRDYVDVFHS-UHFFFAOYSA-N 445.310 5.030 30 20 IKED CCc1nc(-c2ccc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2)n[nH]1 681173484 AZAYFSFZKNTSED-CQSZACIVSA-N 441.438 5.153 30 20 IKED Cc1cc(Br)c(F)cc1NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 681181202 NJQIGTPTHSSHKI-OCAPTIKFSA-N 437.153 5.101 30 20 IKED Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 683722249 IMBRTRFIGVKYIZ-XQQFMLRXSA-N 436.318 5.371 30 20 IKED Cc1ccc2c(CNc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc(=O)oc2c1C 728201388 IWLUOJWGNYVEOO-UHFFFAOYSA-N 428.463 5.612 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)-c1ccccc1C2 731064008 SDUYUUGIHOPXPN-KRWDZBQOSA-N 442.540 5.305 30 20 IKED CC(C)c1cc(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccc2n1 731070774 RTGQXQXMWVHWTJ-KRWDZBQOSA-N 447.560 5.548 30 20 IKED Cn1c(CC(=NOCc2coc(-c3cccs3)n2)c2ccccc2)nc2ccccc21 731664243 FFFWSTMDYPZKDU-UHFFFAOYSA-N 428.517 5.453 30 20 IKED C#CCN(C(=O)Nc1ccc(F)cc1Cl)[C@@H]1CCOc2ccc(Br)cc21 733615892 LKYCPJUDACHUDC-QGZVFWFLSA-N 437.696 5.233 30 20 IKED C#CCN(C(=O)Nc1ccc(OCC)cc1C)[C@H]1CCOc2ccc(Br)cc21 733624443 FZXVUJKFHHMXMP-FQEVSTJZSA-N 443.341 5.147 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2)nc1 733636380 KEAXYEAGFCZSND-UHFFFAOYSA-N 428.492 5.129 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(Cl)c2SC(F)F)c1 733844174 HEZDXNDKRGEZED-ZDUSSCGKSA-N 425.888 5.657 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3ccccc3OC)c(F)c2)c1 733844307 IEDILEZWGBPYSG-IBGZPJMESA-N 449.482 5.629 30 20 IKED CC[C@H](NC(=S)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1cccs1 734381791 ZBDPXWKIEBOVOF-ZDUSSCGKSA-N 429.558 6.210 30 20 IKED N#Cc1ccc([C@H](OC(=O)c2oc3ccccc3c2CSC2CCCCC2)C(N)=O)cc1 734563738 ZJOOAYSVAISEAP-QFIPXVFZSA-N 448.544 5.254 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)OC[C@@H](C#N)Cc3ccc(F)cc3)ccc21 734711032 SVZWOPUZMIZPJU-OAHLLOKOSA-N 433.405 5.314 30 20 IKED COC(=O)N(C)Cc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 735254769 ZBHOFBHMQOMSIS-UHFFFAOYSA-N 449.894 5.454 30 20 IKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCSC[C@H]2c2ccccc2)c1=S 738070649 UXUZXSUGCSZMNQ-FQEVSTJZSA-N 426.586 5.154 30 20 IKED CS[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1 740534372 HAULNYOANUCFHD-HNAYVOBHSA-N 433.385 6.397 30 20 IKED N#CCCCOc1cccc(/C=C2\SC(=S)N([C@H]3CCc4ccccc4C3)C2=O)c1 743283994 HKEDPRNROPQCEZ-AHFVYKFHSA-N 434.586 5.128 30 20 IKED Cc1ccc(-c2noc([C@@H](C)OC(=O)c3occc3COc3cccc(C#N)c3)n2)cc1F 744925858 NKTBINJSJYAYCV-OAHLLOKOSA-N 447.422 5.146 30 20 IKED COc1ccc(C#N)cc1NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 747405843 PLTUNMAUHYFLQC-NTKDMRAZSA-N 445.544 5.060 30 20 IKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 747976077 ODXCXUIDIYBLBU-OIKPOIBNSA-N 439.559 5.974 30 20 IKED CCCCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 748443206 LYKKIESNXOBRGB-NOZRDPDXSA-N 446.595 5.282 30 20 IKED C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 750705728 JCWBXKYWDCLXTK-IAQYHMDHSA-N 441.940 5.994 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(C(=O)O)s2)cc(Br)c1OC(F)F 750903813 STDOCNSRKMLUTR-ARJAWSKDSA-N 447.253 5.105 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 752617377 QLMNRMCPGJKCKR-UZUQRXQVSA-N 446.617 5.097 30 20 IKED C[C@]1(C#N)CCCN(C(=O)c2cc(Cl)nc(Oc3ccc(Br)cc3)c2)C1 753162783 QZOQWZBDCFTDLV-LJQANCHMSA-N 434.721 5.056 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@@H](c2ccc(F)cc2)c2cnc3ccccc3c2)c1 753678051 FWBPCYPFJXJMQH-SQHAQQRYSA-N 425.507 5.934 30 20 IKED CC(C)(C)OC(=O)N1CCc2c(NC(=O)Nc3cccc(OCCCC#N)c3)cccc21 753877886 DFKHWHJDPBJQAG-UHFFFAOYSA-N 436.512 5.311 30 20 IKED Cc1nn(C)c(C)c1[C@@H](OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(F)(F)F 760766429 SSRXFWQCJVUCKO-HXUWFJFHSA-N 447.388 5.300 30 20 IKED C[C@@H](C#N)Oc1ccc(CN[C@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)cc1 761330279 LJSUILVCKKQOOA-UQBPGWFLSA-N 445.563 5.486 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2nc3ccc(F)cc3s2)c1 761787280 ZGEIOUMTJYZRBH-UHFFFAOYSA-N 441.557 5.209 30 20 IKED CCCCc1ccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cccc(C)c2)cc1 762439121 CQSNQOFBXGDZQC-UHFFFAOYSA-O 428.581 5.820 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@H]2c2nc3ccccc3s2)c1=S 764848538 KZELWUPOSQILHM-IBGZPJMESA-N 448.621 5.456 30 20 IKED C=CCn1c(-c2ccccc2C)nn(CN(C)Cc2csc([C@@H](C)OCC)n2)c1=S 765037937 QZVMAUSORKRVQN-QGZVFWFLSA-N 443.642 5.219 30 20 IKED C=CC[C@H](N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C)c1ccncc1 766017407 BPXGQCLBHMIQHD-KUHUBIRLSA-N 428.399 6.244 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCCc1ccccc1Br 766257810 PPMLWPBSKKBWAK-LJQANCHMSA-N 441.369 5.244 30 20 IKED CC(C)(C#N)CCCCOC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(F)cc1F 768672608 SYIAPVLZXOTSNX-DQLDELGASA-N 432.511 5.001 30 20 IKED O=C(Nc1cccc(/C=C2\CCc3nc(O)ccc3C2=O)c1)c1ccc(Cl)cc1Cl 769614511 JYUNNTIGWQLTAG-GXDHUFHOSA-N 439.298 5.559 30 20 IKED Cc1cc(Br)cc2c(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)coc12 770848049 RBEXCYKWKOVYDI-ZDUSSCGKSA-N 449.663 5.257 30 20 IKED N#Cc1ccc(Oc2ccc(N3C(=O)N[C@H](c4cc(F)ccc4F)C3=O)cc2Cl)cc1 771921549 VEMYFSFITJNTJM-HXUWFJFHSA-N 439.805 5.080 30 20 IKED COCCc1nc(C)c([C@@H](C)OC(=O)c2cccc(COc3ccc(C#N)cc3)c2)s1 773925010 ZUZSTLHSHVPUPR-QGZVFWFLSA-N 436.533 5.009 30 20 IKED Cc1nn(CC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1-c1ccccc1 774056871 VKUUWDNLGZFKBH-MRXNPFEDSA-N 440.450 5.364 30 20 IKED Cc1c(-c2ccccc2)oc2c(C(=O)Nc3nc4c(cc3C#N)CCCC4)cccc2c1=O 775606264 VZUMSSSJWOSEHJ-UHFFFAOYSA-N 435.483 5.166 30 20 IKED C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(N(C)C)cc1 776238492 OHCFGIDZKZNLJS-LJQANCHMSA-N 430.527 5.236 30 20 IKED CC(=O)N1C/C(=C/c2nc(-c3cc(Cl)ccc3Cl)cs2)C(=O)c2ccccc2C1 778519652 JZSXKAGISYFXOG-NVNXTCNLSA-N 443.355 5.745 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cccn1Cc1ccccc1C#N 780196025 HVPJCDQDCIPAIT-UHFFFAOYSA-N 449.539 5.037 30 20 IKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1ccccc1O[C@@H](C)C#N 780671343 UJNLKHUVWWAXDR-HNNXBMFYSA-N 439.903 5.125 30 20 IKED N#C[C@H](C(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1nc2ccccc2n1C(F)F 781452258 RNFFURKPIMUFJY-CQSZACIVSA-N 437.343 5.497 30 20 IKED Cc1cc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)co1 781526901 JFKXMFMWIHHBCI-UHFFFAOYSA-N 440.180 5.186 30 20 IKED FC(F)(F)Oc1cccc(NC(=S)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 783728494 KZFQYEWJNZHYBC-IUCAKERBSA-N 440.331 5.345 30 20 IKED N#CCCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccsc1 790722661 ZCZFFDUKYVEDPE-FQEVSTJZSA-N 448.573 5.165 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccsc3)N(C3CC=CC3)C2=O)c1 790745204 DLCZWCDFXCXHHL-LJQANCHMSA-N 425.579 5.044 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(C(F)(F)F)s1 796797971 KSJCBJXGLHOTTM-AWEZNQCLSA-N 430.407 5.520 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccc(C(F)(F)F)cc1 798813975 CZDCJEOJAJZXLL-IAQYHMDHSA-N 445.466 5.274 30 20 IKED N#Cc1sc(N2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)nc1Cl 804443066 BUDFFLLHPDGOGA-UHFFFAOYSA-N 427.892 5.014 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccccc1N(C)C(=O)c1cccs1 804560280 YOIIEVSHELIOFN-UHFFFAOYSA-N 436.581 5.021 30 20 IKED C#C[C@@H](NC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C)c1ccc(F)cc1 812753285 DSUQHRZHTDGJNF-GOSISDBHSA-N 444.890 5.345 30 20 IKED COc1ccccc1N=C1SCCN1C(=O)CCc1ncc(-c2ccccc2Cl)o1 821739903 RNNALHKDXJPGKM-UHFFFAOYSA-N 441.940 5.199 30 20 IKED C=CCn1c(SCc2cc(F)ccc2[N+](=O)[O-])nnc1-c1ccc(Br)cc1 915792468 DZSQILSYSQEWML-UHFFFAOYSA-N 449.305 5.233 30 20 IKED N#CCCn1cc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)c(-c2ccccc2)n1 916140077 YTKBXKOVSSBXIG-CPNJWEJPSA-N 434.521 5.009 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1 916848565 DMUKAUSZDPSGKW-DEOSSOPVSA-N 445.522 6.201 30 20 IKED CC(=O)Nc1ccc(S[C@H](C)C(=O)N2/C(=N\Cc3ccccc3)SCC2(C)C)cc1 917556794 MZZLQPQDSNTSIA-BXACRRSSSA-N 441.622 5.036 30 20 IKED O=C(Nc1ccccc1SC(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 919653429 XYHVFYIJAAXOQG-IUCAKERBSA-N 440.331 5.893 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cccc(OCc2ccccc2C#N)c1 920104711 XEHZDDUHYVPANP-QHCPKHFHSA-N 433.467 5.132 30 20 IKED CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)[C@H](C#N)c1nc2ccccc2s1 920105729 DEDGKPYJKMZVJI-RDPSFJRHSA-N 441.556 5.009 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1sc2cccc(Cl)c2c1Cl 920106183 UDBBXSSZVGUFKJ-GFCCVEGCSA-N 427.312 6.203 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCC(=O)c3ccc(CC(C)C)cc3)n2)cc1 920139307 QWDHYKNMLXEUKO-JOCHJYFZSA-N 446.572 5.857 30 20 IKED Cc1nn(C)c2nc(Cl)c(C=NN(C(=S)Nc3cccc(Cl)c3)C(C)(C)C)cc12 920384724 BMUJMJRROZWMKH-UHFFFAOYSA-N 449.411 5.415 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(N2CCCC2=O)cc1 920975191 GVCVTNIUFCQCLA-CLOONOSVSA-N 438.531 5.352 30 20 IKED Cc1nc(O)c2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)cc2n1 1527789171 LIGXOGXUXPVIMO-UHFFFAOYSA-N 430.851 5.214 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccn4ccnc4c3)CCC2)cc1 1785842174 SJZNLSJQCQIJMD-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cccc4cccnc34)cc2)CCC1)C(F)(F)F 1788913057 ISDOCKTUVQXQSR-UHFFFAOYSA-N 439.437 5.101 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCOc3ccccc3)CCC2)cc1 1789451320 HPCCQTMZCNLCOP-XMMPIXPASA-N 432.564 5.358 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 1797769402 HKJSZOINKRUUHS-PVIWCNJMSA-N 429.004 5.074 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2sccc2Cl)[C@H]1c1cccnc1 1811087357 AVEMKECYWIMAHN-PKOBYXMFSA-N 446.016 5.109 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cccc(C)c2)[nH]n1 1819303730 ZYOLMCJKYBPCFK-GGAORHGYSA-N 434.584 5.111 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(Cl)c2)n[nH]1 1820499493 UZNICFAFNPBBRH-ICSRJNTNSA-N 426.948 5.137 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3cccnc23)CC1 1824142237 JDJBXRHTCKYTDG-VWLOTQADSA-N 445.607 5.237 30 20 IKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1829706278 LQKAUQGKTYQTBG-AREMUKBSSA-N 446.566 5.139 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(C)C)no2)CC1 1829803419 ULWGFIKEKFISBL-NRFANRHFSA-N 429.605 5.024 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 10015224 OUFMHINRXGJBKD-UHFFFAOYSA-N 441.944 5.299 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2Cl)nnc1-c1ccc(Cl)cc1 10240143 DEJRYAGQDRTWAQ-AWEZNQCLSA-N 447.391 5.407 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)C(c2ccccc2)c2ccccc2)cc1 22691235 PGIBZXXWVCAFSR-OAQYLSRUSA-N 426.516 5.006 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nn(-c3ccccc3)c(=S)s2)cc1 23499872 OTELXIULVHXPLS-MRXNPFEDSA-N 440.619 5.399 30 20 IKED N#Cc1ccc(-n2c(SCc3cc(-c4ccccc4)on3)nc3ccccc3c2=O)cc1 24719888 XAQZNXGYXRNMJY-UHFFFAOYSA-N 436.496 5.205 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3cccs3)no2)nnc1-c1ccc(OC)cc1 26038164 CUHPDHYIAPCHOA-CYBMUJFWSA-N 425.539 5.105 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3ccc(N4CCCCCC4)nc3)c2)c1 61076065 QKZSXAIIQCFFEC-UHFFFAOYSA-N 426.564 5.202 30 20 IKED COc1ccc2c(-c3ccccc3)c(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)oc2c1 64667729 RTMDIQILGJEVPB-SFHVURJKSA-N 436.389 6.012 30 20 IKED CCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1OC 64714545 JDBVFXJGWHCSIF-LBPRGKRZSA-N 448.878 5.639 30 20 IKED Cc1ccc(-c2nnc(SCC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)o2)cc1 71854262 UYLSUQJKISUADR-KRWDZBQOSA-N 432.530 5.137 30 20 IKED C[C@@H]1CCCCN1Cc1ccc(CNC(=O)c2ccc(COc3ccccc3C#N)o2)cc1 108136762 SWORTPHIJWODJX-HXUWFJFHSA-N 443.547 5.035 30 20 IKED CCOC(=O)c1ccc(C#N)c(S[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)n1 115498325 OQOXTQAEBQXPNG-LLVKDONJSA-N 448.426 5.052 30 20 IKED N#Cc1cc(Nc2cccc(C[S@](=O)c3ccccc3)c2)nc2ccc([N+](=O)[O-])cc12 302686424 TZBZCYYOVLIRSH-HKBQPEDESA-N 428.473 5.066 30 20 IKED C[C@@H](Cc1nnc(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)o1)c1ccccc1 302773598 GOAHOSRFZJQSKA-UONOGXRCSA-N 426.929 5.060 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2nc3cc(Cl)ccc3s2)nnc1-c1ccco1 428164689 LWNJRGRRFGWIGT-UHFFFAOYSA-N 445.957 5.108 30 20 IKED N#CCCC[C@@H](NCC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 433020007 MGJPOZXDXOAAKV-AOYPEHQESA-N 431.967 5.570 30 20 IKED Cc1occc1C(=O)Nc1cc(NC(=O)c2cn(CCCC#N)c3ccccc23)ccc1F 435947277 DLESDOPTJAYARF-UHFFFAOYSA-N 444.466 5.490 30 20 IKED COc1cc([C@H](C)NC(=O)C2(c3ccc(C#N)cc3)CC2)ccc1OCc1ccccc1 436059596 BMRHKJJUZWJVKV-IBGZPJMESA-N 426.516 5.055 30 20 IKED Cc1cccc([C@@H]2CCCN2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1C 437806291 QXYBLYJDEXEEBR-FQEVSTJZSA-N 449.605 5.688 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F 437834360 CSGPPNBEVXSHKT-NSYGIPOTSA-N 429.495 6.413 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 438652193 ALCQYIUJWVNSAS-UHFFFAOYSA-N 443.956 5.244 30 20 IKED O=C(Nc1c(F)cc(Br)cc1F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 438659406 ZJPIOTLTWCLBGW-UHFFFAOYSA-N 441.116 5.076 30 20 IKED Cc1sc([C@H](C)NC(=O)N[C@H](CCC#N)c2ccccc2)nc1-c1ccc(Cl)cc1 438842017 NRJNOAFANDJIDT-MGPUTAFESA-N 438.984 6.177 30 20 IKED COCCc1nc2cc(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)ccc2o1 439983130 VZELEOHKHAGWAK-UHFFFAOYSA-N 447.878 5.586 30 20 IKED Cc1cccc(Oc2ccccc2C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 440887645 BPUNGTQHZMXKOU-UHFFFAOYSA-N 439.515 5.623 30 20 IKED CSc1cc(C(=O)Nc2c(C#N)c(SC)nn2-c2ccccc2)c(Cl)cc1Cl 445566467 YHFKLPLOMKHBHB-UHFFFAOYSA-N 449.388 5.747 30 20 IKED N#Cc1c(NC(=O)c2cnn(-c3ccncc3)c2C(F)F)sc2c1-c1ccccc1CC2 447391048 IKNNOWNUDOTPKN-UHFFFAOYSA-N 447.470 5.156 30 20 IKED Cc1ccc(-c2ocnc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 460146650 AXHSCIAWOZMOGD-UHFFFAOYSA-N 427.435 5.492 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ncc(-c3ccccc3)cn2)cc1 461984208 SQUHQIPPLPTVEB-UHFFFAOYSA-N 449.514 5.110 30 20 IKED O=C(c1cc(-c2ccccc2C(F)(F)F)on1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 462122826 MKJRPTNTVXRNEH-UHFFFAOYSA-N 446.269 5.317 30 20 IKED C[C@H](C(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1cccc(C#N)c1 462197590 VEOPWGXBLYQUIM-HNNXBMFYSA-N 425.410 5.184 30 20 IKED CCOc1ccc(N(C(=O)[C@H](C)c2cccc(C#N)c2)c2nc3ccccc3s2)cc1 463069817 LTLHLWPPLLKKJX-QGZVFWFLSA-N 427.529 6.035 30 20 IKED C=CCc1ccc(OCc2nc(-c3ccc4nc(-c5cscn5)[nH]c4c3)no2)c(OC)c1 463166103 POUCVVLQGDOCQC-UHFFFAOYSA-N 445.504 5.053 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@](CO)(c3ccccc3)C2)cc1Cl 463491023 OYDUBHBSHGKTCU-OZXSUGGESA-N 445.950 5.163 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCc3c(Br)ccc(Cl)c3C2)c1 464174649 HZWCHKMJOGPMOS-UHFFFAOYSA-N 447.760 5.108 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc1 464856596 LKKHLLVMWWRVEM-XMMPIXPASA-N 441.487 5.029 30 20 IKED CO[C@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc(Cl)c1 466359976 VUHVDPBVLJODSZ-XMMPIXPASA-N 449.938 5.494 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N(C)[C@H](C)c2sc(-c3ccccc3)nc2C)cc1 469506015 ATPJKRVXZGPVSU-QGZVFWFLSA-N 434.565 5.259 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 469691671 RQEJHYRZJGNVGO-HZPDHXFCSA-N 427.545 5.891 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCC[C@H]3c3ccccc3Cl)ccc21 470542114 FHHXLQILHGFRAB-QFIPXVFZSA-N 436.943 5.292 30 20 IKED N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc3nc(-c4ccccc4Cl)[nH]c3c2)cc1 470834288 WKTLGIOPIFHJQW-QGZVFWFLSA-N 425.879 5.076 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)C3(c4ccc(F)cc4)CCCCC3)ccc21 470850380 BUCNMOFVDRUQLL-UHFFFAOYSA-N 433.527 5.249 30 20 IKED Cc1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1N1CCNC1=O 487692061 RAHBGDKFPUHAFE-UHFFFAOYSA-N 446.894 5.094 30 20 IKED C[C@H]1CCCN(c2nnc(SCc3ccccc3C(C)(C)C#N)n2Cc2ccco2)C1 488605933 FBQBEIWDUIFFBO-SFHVURJKSA-N 435.597 5.249 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccc4ccccc4c3)o2)cc1 489808496 TUUMTANJTVTBEB-KRWDZBQOSA-N 445.544 5.424 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(Oc3ccncc3)c2)cc1Cl 496190110 RKTAYBNDRGVQBK-XMMPIXPASA-N 439.902 6.435 30 20 IKED Cc1cc(-c2cc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)c3c(C)noc3n2)c(C)s1 498521445 RUMXYBXZSFPAKI-MRXNPFEDSA-N 436.562 5.947 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1ccc(COc2ccccc2C#N)o1 501594955 RKXVDXQVHYAFDT-MRXNPFEDSA-N 443.528 5.653 30 20 IKED Cc1onc(-c2cccc(Br)c2)c1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 503876955 SVHFJUWWZSOEAD-UHFFFAOYSA-N 448.320 5.214 30 20 IKED Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1 505923176 QSZRURUWINMYSS-NRFANRHFSA-N 444.318 5.101 30 20 IKED CCOc1ccccc1CN(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509919992 PATHNOFTOHFBMT-UHFFFAOYSA-N 429.520 5.394 30 20 IKED Cc1cc([C@H](C#N)C(=O)c2cn(CCOc3ccccc3Cl)c3ccccc23)nc(C)n1 511946402 ZEWKUIKJXRRAMW-IBGZPJMESA-N 444.922 5.271 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc(Cl)cc4cccnc34)c2)c1 515449019 GPZGWNCZCJPOGR-UHFFFAOYSA-N 426.863 5.264 30 20 IKED Cc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cs2)cc1 516713759 IXBAPOZIGSBZRK-SFHVURJKSA-N 426.526 5.604 30 20 IKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 517905901 PQHSBAPPHJMWQJ-INIZCTEOSA-N 428.517 6.185 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(-c4nc5c(F)cccc5[nH]4)cc3)cc2)nc1 518361539 LLWLESLZEHUNSR-UHFFFAOYSA-N 449.445 5.680 30 20 IKED C=CCN1CCC(NC(=O)N(Cc2ccc(-c3ccccc3C(F)(F)F)o2)C2CC2)CC1 518532490 VUFNGKDMEXDPJE-UHFFFAOYSA-N 447.501 5.290 30 20 IKED CCOc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OCc1cccnc1 518743026 JAKWLTXNKWUYGX-SFHVURJKSA-N 447.560 5.706 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cccc(CC#N)c1 518890152 JWOOCCHAVBVEBS-UHFFFAOYSA-N 437.421 5.585 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1ccc(F)cc1)c1ccc(OC)cc1 521120540 VQWXZCMVJLYRHY-RUZDIDTESA-N 429.495 5.193 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1COCc1ccccc1 521261512 RZSFLGLLOQOGOV-HXUWFJFHSA-N 445.588 5.977 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3csc(Br)c3)cc2)cc1 521710817 DRADQYHAOSRQMD-UHFFFAOYSA-N 428.311 5.496 30 20 IKED CCN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[C@H](C)Cc1ccc(OC)cc1 521928695 LGPMHGVSQUATNZ-HXUWFJFHSA-N 428.532 5.647 30 20 IKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 524379637 OXVAIXJDVZSVPB-OAHLLOKOSA-N 428.410 5.582 30 20 IKED CCCN(Cc1ccc(C#N)cc1)Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1 534490264 XBJSSGWUMZAUCB-UHFFFAOYSA-N 432.593 5.728 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)n(C2CCCCC2)c1C 537132392 CPGGWSLVBFVLJK-OFVILXPXSA-N 448.611 5.178 30 20 IKED Cc1ccc(-n2c(SCCCC3(C#N)CCOCC3)nnc2-c2ccc(F)cc2)cc1 538609225 VFWSDIZZZHMZDH-UHFFFAOYSA-N 436.556 5.575 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 539757177 SAGHHUGFJKXJIX-CQSZACIVSA-N 442.441 5.468 30 20 IKED C[C@H](Sc1cccc(Cl)c1C#N)c1nc(O)c2c(-c3cccs3)csc2n1 541173245 OJBOOLJKSYZALH-JTQLQIEISA-N 429.979 6.504 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SC[C@H](C)C(=O)c1ccc(F)c(F)c1 541992463 BEZLWZKOVACFLD-AWEZNQCLSA-N 447.482 5.072 30 20 IKED CC(=O)CCc1ccc(OCCC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 543858900 CZZNJQMECZGZLM-NRFANRHFSA-N 440.543 5.393 30 20 IKED C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@]2(CCCOC2)C1 549285519 KYGDACHAMZDTRM-QFIPXVFZSA-N 433.021 5.197 30 20 IKED C[C@](CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)(C(=O)O)c1ccccc1 553364581 SGUMQXXPAPEGQM-HXUWFJFHSA-N 436.455 5.082 30 20 IKED C[C@@H](NC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1c(F)cncc1F 558180867 CYLPITKCAAONTA-OTYXRUKQSA-N 441.322 5.433 30 20 IKED C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC(OC2CCCC2)CC1 558994838 UDZMZYFXDXBIGY-UHFFFAOYSA-N 442.629 5.083 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 560147750 DWDIJSGBYGQLIZ-DHIUTWEWSA-N 449.986 5.037 30 20 IKED Cc1ccc(NC(=O)C(=O)N[C@@H](CCCC#N)c2ccccc2)c(OCc2ccccc2)c1 560282839 JZOKLVUKJLQWLL-QHCPKHFHSA-N 441.531 5.064 30 20 IKED N#C[C@@H](C(=O)c1ccnc2ccncc12)c1nc(-c2ccc(Cl)cc2Cl)cs1 573852928 QSQZUUYWCVCHST-AWEZNQCLSA-N 425.300 5.550 30 20 IKED C[C@@H](Oc1ccccc1NC(=O)c1cc(OC(F)F)cc(OC(F)F)c1)C(F)(F)F 584014233 GHMAIVIWQHBFEK-SECBINFHSA-N 441.299 5.471 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)N[C@@H]1CCc2ccc(C#N)cc21 584559376 MYWYFRLSMHWYGQ-ZUOKHONESA-N 438.394 6.091 30 20 IKED COc1ccc(CN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1OCCCC#N 584796556 OYCCMCDWIAHZEP-MRXNPFEDSA-N 439.503 5.233 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)o2)cc1 609056058 DZLOOIVRXIUAKQ-UHFFFAOYSA-N 440.421 5.554 30 20 IKED COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)c1cc2ccccc2n1CC#N 609169301 ABJRMJMQDGMMIX-NRFANRHFSA-N 437.543 5.447 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@@H](c3ccccc3)c3ccco3)cc2F)c1 609208498 MMQDVPDKHZGUEM-VWLOTQADSA-N 441.462 5.780 30 20 IKED Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccccc1SCCC#N 609957639 JUEUMHRVOVNOLJ-FQEVSTJZSA-N 449.601 5.101 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 610325786 IJPRLUWKPAWNDM-OAHLLOKOSA-N 425.945 5.481 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)N[C@H](C)C(=O)N(CCC#N)c1ccccc1 610341874 DKEOOFNMNLKMDR-FUHWJXTLSA-N 436.556 5.244 30 20 IKED C[C@H](NC(=O)N[C@H](c1cc(F)ccc1F)c1ccccc1Cl)c1cccc(C#N)c1 610357432 MNZJQBYOKCUMOW-FPTDNZKUSA-N 425.866 5.640 30 20 IKED C[C@H](NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1 610357855 VIWONPIWWTVMAP-BUKVSMQUSA-N 444.501 5.020 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](C[C@@H]3CCOC3)c3ccccc3)cn2)cc1 611075182 BGZKQOKWFZPUPR-CVDCTZTESA-N 428.492 5.035 30 20 IKED N#Cc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)c(Br)c1 611491393 HDPXYUUDHKYRJI-UHFFFAOYSA-N 448.349 5.256 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cc4sc(N5CCCC5)nc4s3)cn2)c1 619428167 GILBVQXSOXMUSA-UHFFFAOYSA-N 447.545 5.269 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1sc2cc(F)ccc2c1Cl 642158801 ZBCADDZGJSMJDK-MBTKJCJQSA-N 447.803 6.333 30 20 IKED C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]1c1ccc(O)cc1 642718057 UOKZEFLVVRXBMR-FQEVSTJZSA-N 436.581 5.202 30 20 IKED O=C(c1cccc(COc2cccc(F)c2)c1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674445974 VZWBTBXYGYQSKF-IRXDYDNUSA-N 435.339 5.218 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N[C@H](C)Cc2ccc(C(F)(F)F)cc2)c1C(F)F 676174901 DVCCXQAZAUPSRP-SECBINFHSA-N 443.338 5.239 30 20 IKED Cc1ccc(F)c(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1Br 683734626 IURJTWOMMNHHTN-IUCAKERBSA-N 436.165 5.100 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(SC(F)F)cc2)cc1 726072637 UDWPHNPKJBDETN-UHFFFAOYSA-N 441.478 6.246 30 20 IKED Cc1nc(-c2ccsc2)ccc1C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 726228815 ARWYNXMLXRLVEI-UHFFFAOYSA-N 429.501 5.027 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCc3c(Br)cccc32)cc1 727934364 GBVGNUCRPLMMQH-GMAHTHKFSA-N 446.348 5.914 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C\c2cccc(OC3CCCC3)c2)cc1Cl 727953513 CRFUACSBZKOBIA-YBNHLDJLSA-N 438.911 5.031 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)c2)cc1 728766550 BUVQXHLMFCILRF-DEOSSOPVSA-N 431.451 5.465 30 20 IKED CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 729552821 MCNXHCFYTUHKET-DHIUTWEWSA-N 448.567 5.205 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(N2CCOCC2)cc1 731399387 ABQGRCAMWWNSEY-IBGZPJMESA-N 442.519 5.070 30 20 IKED Cc1c(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c(C#N)c2n1CCC2 731937176 GXHNAWKQCBXTOZ-GHXNOFRVSA-N 429.907 5.416 30 20 IKED C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@H]2c2ccc(F)c(F)c2)c1=S 732980398 JSZWCEKPSSPHIA-NRFANRHFSA-N 426.536 5.264 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](Sc2ccccc2F)c2ccccc2)c1 733771141 NNHSLABSOOMWEF-HYBUGGRVSA-N 434.536 5.656 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(-c3nc4ccccc4s3)s2)c1 733772982 KABLFLWTDYHOQF-MRXNPFEDSA-N 433.558 5.636 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)c1 733801537 RPEQKOKWYRGQPN-TZIWHRDSSA-N 433.474 5.583 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H]2Cc2c(F)cccc2Cl)c1 733804266 BBIOFZSLMFJREN-MSOLQXFVSA-N 429.923 5.077 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F 734964729 ZOOGYBBPYVIVMY-KURKYZTESA-N 432.426 5.208 30 20 IKED C#CCOc1ccc(F)cc1NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 741642336 BCRZVZXRGPGFKD-UHFFFAOYSA-N 431.492 5.030 30 20 IKED O=C(/C=C/c1ccc(-c2cccc(F)c2)s1)c1ccc(S(=O)(=O)CC(F)F)cc1 741852616 OPBHPRZLSBYGNO-UXBLZVDNSA-N 436.476 5.489 30 20 IKED CSc1cccc([C@@H](NC(=O)Cc2ccc(OCC#N)cc2)c2ccc(F)c(F)c2)c1 742803274 JBJMQNDGTBKNNN-XMMPIXPASA-N 438.499 5.037 30 20 IKED N#C[C@@H]1C(CN2Cc3ccccc3C[C@H]2c2ccccc2)=CC(=O)n2c1nc1ccccc12 744411745 IRYBQANDEHHCDA-BVAGGSTKSA-N 430.511 5.023 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)ccc1OCC(F)(F)F 750902795 NCVXWCJLQKHDHD-VZUCSPMQSA-N 433.426 5.049 30 20 IKED COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCC(=O)N3C)cc1OCc1ccccc1 754690119 OLOABXMJIXMWNJ-MDWZMJQESA-N 427.500 5.079 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2ccccc2NC(=O)OC(C)(C)C)cc1 756516038 PIUNZBHZTVSMNP-DYESRHJHSA-N 449.551 5.437 30 20 IKED C#CC[C@H](NC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F)c1ccccc1 756920684 FPDFUGMICDFHQO-IBGZPJMESA-N 441.409 5.437 30 20 IKED N#CCOc1cccc(CC(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)c1 760495848 AYGAOQAWLCMOEL-UHFFFAOYSA-N 430.398 5.146 30 20 IKED COc1ccccc1-c1ccc(CN(C(=O)Nc2ccc(F)cc2OCC#N)C(C)C)cc1 761676728 COKJNWNRVCVVPL-UHFFFAOYSA-N 447.510 5.846 30 20 IKED CC[C@H](CC#N)NC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 762720176 YXSMPTGIRRGNTM-QGZVFWFLSA-N 440.619 5.378 30 20 IKED C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 763727108 ZEJKLBGHPHZBOL-LEOXJPRUSA-N 448.567 5.109 30 20 IKED COc1ccc(-c2ncc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)s2)cc1 764753791 YDMMYDPUTSVGTG-UHFFFAOYSA-N 449.319 5.147 30 20 IKED C=CC[C@H](N[C@H]1CCCc2nc(-c3ccc(Br)cc3)sc21)c1ccncc1 766021860 VCUBGVNKMZGINC-OALUTQOASA-N 440.410 6.252 30 20 IKED C[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1nc(-c2ccc(Cl)cc2)no1 767947249 NLZZCTWECYXATK-HNNXBMFYSA-N 433.899 5.139 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(C(C)C)n(-c2ccccc2)n1 772552830 ZOMHKALUZWMGKS-OAQYLSRUSA-N 428.536 5.082 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cccc(NC(=O)OC(C)(C)C)c3)n2)cc1 777298442 ZFRWZXNXTMZZFA-FQEVSTJZSA-N 447.560 5.885 30 20 IKED Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 779121140 PRXILIULCDJWFI-MRXNPFEDSA-N 447.501 5.136 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H](c1cccc(Cl)c1)C1CCCCC1 780064135 HLSWKIVMWLMALF-OPAMFIHVSA-N 439.943 5.007 30 20 IKED COc1ccc(C[C@@H](NC(=O)Nc2ccccc2O[C@@H](C)C#N)c2ccccc2)cc1OC 780674930 JSNCDDPQROPLCA-PGRDOPGGSA-N 445.519 5.100 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\COc3ccc(Cl)cc3C2=O)cs1 783714352 ICNYBEYEXOEPGI-MDWZMJQESA-N 445.327 5.793 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 786302709 APFKTKODXCIFGQ-UPJWGTAASA-N 426.897 5.167 30 20 IKED C=CCn1c(SCc2cnc(Cl)cn2)nc2scc(-c3cccs3)c2c1=O 789998617 RMJVQUYBUBPWKR-UHFFFAOYSA-N 432.983 5.108 30 20 IKED C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)[C@@H](C#N)c3nccc4ccccc34)cc2[N+](=O)[O-])C1 792090335 FJJYBIGAGBQENT-FVJLSDCUSA-N 428.492 5.115 30 20 IKED COc1ccccc1-c1ncc(/C=C\C(=O)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)cn1 792888120 XJHHENMVCXTQFM-XADARROHSA-N 448.494 5.135 30 20 IKED Cc1ccc(Cn2nc(C)c(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)c2Cl)cc1 797571270 PDOCWQVVYZTPMT-MRXNPFEDSA-N 426.973 5.446 30 20 IKED Cc1noc(C)c1-c1ccc(OC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1 805930198 FMYYEQRASMXFEO-UHFFFAOYSA-N 449.938 5.696 30 20 IKED CCc1ccc([C@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)N(C)C)cc1 915352349 KEHSJDVZMKNNCJ-FTJBHMTQSA-N 426.564 5.329 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(CSc2ccccc2)cc1 916926185 UQWJOQOCTJDVSE-NRFANRHFSA-N 430.529 5.339 30 20 IKED CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(N(C)c2ccccc2)cc1 917030354 YCSOTKJRDZRHIB-UHFFFAOYSA-N 429.549 5.283 30 20 IKED CC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc2c(c1)OCCO2 918034275 MOTALSHELWGSLP-DHIUTWEWSA-N 427.504 5.386 30 20 IKED N#C[C@H](C(=O)NCc1ccccc1)C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 918487507 OAEPFAVDFAGMDT-HNNXBMFYSA-N 429.328 5.361 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 918488163 VQDXJFPVKIVXHI-LBPRGKRZSA-N 449.746 6.336 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4c[nH]nc34)CCC2)cc1 1786103552 NFCPMCPHHUBORO-UHFFFAOYSA-N 428.536 5.079 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cc4cccnc4[nH]3)cc2)CCC1 1789315400 UOTGOFVVNXKHSQ-UHFFFAOYSA-N 428.536 5.079 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(Cl)c(F)c3)C2)CC1 1805218927 LQSAZEBYCQVKBJ-UHFFFAOYSA-N 449.010 5.245 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3c[nH]c(-c4ccc(C)cc4)c3)C2)CC1 1807426592 XCONJAYRXLOPFN-OAQYLSRUSA-N 433.596 5.047 30 20 IKED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1 1812805003 ZDUVLPDADJFSFM-PUHATCMVSA-N 447.689 5.038 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)n[nH]1 1818931946 XQFCVBVJGJYZNL-PNYFIKQUSA-N 448.558 5.220 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(Cl)cccc2Cl)n[nH]1 1820435433 XAJXIMMIXUHVFA-SUMWQHHRSA-N 435.355 5.235 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2oc3ccccc3c2C)CC1 1824142191 HSJGCTMFESDMJE-DEOSSOPVSA-N 448.607 5.743 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sccc2Cl)CC1 1828826895 OIYVGVDAQSKBMM-UYAOXDASSA-N 435.033 5.403 30 20 IKED CC1(C)CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)C1 1828907019 SKJXDMNFWXCLTL-HSZRJFAPSA-N 444.736 5.093 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3cc(C)[nH]c23)CC1 1829066370 DNZWWYRGLPGRTE-XMMPIXPASA-N 449.639 5.702 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3c[nH]c4cc(C)ccc34)CC2)C1 1832960173 ADUBZNZYIHQSAD-TTZARTBGSA-N 445.607 5.075 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)c1ccc(Oc3ccccc3)cc1)C2 1841319954 BCWFHAFFAFXIQF-UHFFFAOYSA-N 430.548 5.064 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1[nH]c3ccoc3c1-c1ccccc1)C2 1844356827 VHJYWMQBLNUGFU-UHFFFAOYSA-N 445.563 5.237 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cccc(CC)c2)cc1 10174547 NPNAWBUHAYWIMF-UHFFFAOYSA-O 439.551 5.818 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)Nc1c(C)cccc1C 11153632 GDROYSZZXZBQBS-UHFFFAOYSA-O 431.625 6.328 30 20 IKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2cccc(C)c2)c(Cl)c1 15248311 XQDYCDRWPYKHFV-UHFFFAOYSA-O 444.407 6.257 30 20 IKED C=CCN1C(=O)c2ccccc2N[C@H]1c1cc(OC)c(OCc2ccccc2)c(OC)c1 15502883 QADRKTYSWDXPQK-RUZDIDTESA-N 430.504 5.035 30 20 IKED Cc1cc(C)c(N/C(S)=C(\C(=O)c2ccc(C)s2)[n+]2cccc(O)c2)c(Cl)c1 22732850 NBHQNNATDRZRJF-UHFFFAOYSA-O 431.990 5.371 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)NCCc1ccccc1 22735908 PZAQLIXTIBWCSL-UHFFFAOYSA-O 431.625 5.431 30 20 IKED Cc1ccc(C(=O)/C(=C(\S)Nc2ccc(F)c(Cl)c2)[n+]2ccc(N(C)C)cc2)cc1 22799754 UXWZNJBKSOJJLU-UHFFFAOYSA-O 442.967 5.192 30 20 IKED COc1ccc(-n2c(SCc3cccc(C#N)c3)nnc2-c2cccc(OC)c2)cc1 24967667 BVHPUHZSRRTIEG-UHFFFAOYSA-N 428.517 5.115 30 20 IKED C[C@H](NC(=O)[C@@](C)(Cc1nc2ccccc2s1)c1ccccc1)c1ccc(C#N)cc1 26128450 IPWYDYNKPGJLPG-QYBDOPJKSA-N 425.557 5.546 30 20 IKED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CSc1ccc3ccccc3c1)CCCC2 33143738 HIMZPAZYKYIJND-FQEVSTJZSA-N 445.588 5.302 30 20 IKED Cc1cc(C)n(Cc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)n1 61068626 AILOHCKJFDGJRP-OAQYLSRUSA-N 446.963 5.815 30 20 IKED COc1ccc(-c2cnc(CCC(=O)Nc3sc(-c4ccccc4)cc3C#N)o2)cc1 63937965 TXTCJFRUDGNKHX-UHFFFAOYSA-N 429.501 5.522 30 20 IKED CC1=NN(c2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)cc2)CC1 303130476 BUIDHVYPNGLYPL-UHFFFAOYSA-N 444.922 5.629 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCSc1ccc(Br)cc1 303288405 APFKTPPHMWBSIX-HNNXBMFYSA-N 449.439 6.354 30 20 IKED Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cccc(COc2ccccc2C#N)c1 303632114 YVSIDSLDXVGSQX-UHFFFAOYSA-N 441.531 5.084 30 20 IKED N#C[C@H](CCc1ccccc1)C(=O)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1 433365497 QBOZPKWNCDZGLE-FQEVSTJZSA-N 446.938 5.373 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc(-c2ccccc2F)no1 435983664 OFHBQUZJPXNVNF-AWEZNQCLSA-N 442.541 5.142 30 20 IKED CCOc1ccc(-c2nc(CC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cs2)cc1 436352126 LSAMFGJMYSQHMJ-DHIUTWEWSA-N 431.561 5.050 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H]3C[C@H](c4ccccc4F)C3)c2)c1 436356197 FXCFGTSYEAJGAV-XGAFWQRZSA-N 428.467 5.017 30 20 IKED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 436387703 MPXFSNCJXOEHDS-KKSFZXQISA-N 438.915 5.178 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(Cl)ccc1Cl 437456509 YFQPDHYITSRMOX-ZDUSSCGKSA-N 425.406 6.260 30 20 IKED CN1CCC(N(Cc2ccccc2)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 438717262 TVDGBCAMDJILER-UHFFFAOYSA-N 439.559 5.282 30 20 IKED CC[C@H](C)[C@@H](C)N(C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)C1CC1 439565076 BNZCMKNYQJIBOR-UONOGXRCSA-N 441.519 5.075 30 20 IKED CC[C@H]1CCCC[C@@H]1N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 441773540 FOOHJRDTQMWTGH-YOEHRIQHSA-N 441.519 5.077 30 20 IKED Cc1ccc([C@@H](Cn2ccnc2)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)c(C)c1 442192183 ISXNWRAQYAOXCY-PGRDOPGGSA-N 433.581 5.315 30 20 IKED COc1ccc(CN(C(=O)NCC2CCC(C#N)CC2)[C@@H]2CCCC[C@@H]2C)cc1OC 442729880 OSVDBHKAZBUCSI-HKEJHHQYSA-N 427.589 5.124 30 20 IKED Cc1cc2c(Br)ccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c2o1 443529812 HTFWSTNHTCSBFO-CYBMUJFWSA-N 444.235 5.739 30 20 IKED C=CC[C@@H]1N(C(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)CCCC1(C)C 444904296 ZSNGHQARVQOEMP-QFIPXVFZSA-N 426.582 5.259 30 20 IKED FC(F)C(F)(F)COCc1noc(-c2csc(-c3cccc(C(F)(F)F)c3)n2)n1 445758942 LOYGOYPYNGJVBB-UHFFFAOYSA-N 441.328 5.296 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(C(=O)Nc3ccc(F)cc3C#N)C2)n1 446311765 LMGCJBVZKLWJSK-HNNXBMFYSA-N 436.512 5.241 30 20 IKED C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCCC(=O)Nc1ccccc1C#N 462644226 VTVGTTJFMAMKGN-OAQYLSRUSA-N 425.532 5.457 30 20 IKED Cc1ccc([C@@H](Nc2cc(C#N)c3ccccc3n2)c2cccc(S(C)(=O)=O)c2)cc1 462931678 HPIKLPJKEOHVGM-RUZDIDTESA-N 427.529 5.020 30 20 IKED COc1ccc([C@H](NC(=O)CNc2ccc(Oc3ccccc3C#N)c(F)c2)C2CC2)cc1 463226089 UPHYRFMEOZHFKA-AREMUKBSSA-N 445.494 5.178 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)c1 466299572 UINSRVVBWUVAAT-NRFANRHFSA-N 445.332 5.373 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)nc2sccc2c1=O 466611982 WGZUOHSTUKKFPF-NSHDSACASA-N 430.942 5.201 30 20 IKED N#Cc1cc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)ccc1F 467854308 KWIWUCZPFPNQMF-UHFFFAOYSA-N 428.389 5.345 30 20 IKED C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469946621 DPHNFFUYGCLKCK-INIZCTEOSA-N 443.469 5.106 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC[C@@]3(C2)OCc2ccccc23)c1 471606920 WAOUAJDLKBBCSS-VWLOTQADSA-N 430.891 5.276 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C(=O)NCc2ccc(OC)cc2)CC1 475560158 HDEBFMKEVCFJBS-UHFFFAOYSA-N 449.595 5.107 30 20 IKED CC[C@@H](C)Oc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 476166986 RESSDYZBVAUSKW-QGZVFWFLSA-N 429.476 5.105 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@@H]3C[C@H]3c3cnn(-c4ccccc4)c3)cc2)cc1 478008759 FOSCBTSWQCWLPS-IZZNHLLZSA-N 434.499 5.017 30 20 IKED CCn1c2ccccc2c2cc(NC(=O)Nc3ccc(S(=O)(=O)[C@@H](C)C#N)cc3)ccc21 480997463 IQNQHLPEIVAZQR-INIZCTEOSA-N 446.532 5.144 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCOc3cc(Cl)c(Cl)cc32)o1 484644670 UXZSIMHBZJDFCG-UHFFFAOYSA-N 429.259 5.076 30 20 IKED Cc1nc(NC(=O)c2c(-c3ccc(Cl)c(Cl)c3)noc2C)sc1SCC#N 486033187 YNQRFNVGOSFHKA-UHFFFAOYSA-N 439.349 5.590 30 20 IKED COc1cccc2[nH]cc(CC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c12 486744732 FTPAWQJKVYBAHH-UHFFFAOYSA-N 425.488 5.003 30 20 IKED C[C@H](Nc1ccc(C(=O)N[C@H](CCCC#N)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 487537995 OMEBCJCSZKHPEN-PGRDOPGGSA-N 443.507 5.328 30 20 IKED Cc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1N1CCNC1=O 487690422 MSRCTRKOGHGLMI-UHFFFAOYSA-N 446.894 5.094 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[C@H](C)CC)nnc1-c1cccs1 489447116 JSKBRRZCCDYZGK-CVEARBPZSA-N 426.611 5.825 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3cc(C)n(CCC#N)n3)c3cnn(C(C)C)c3n2)c(C)s1 504260544 OGJDJXJOEHBMNK-UHFFFAOYSA-N 447.568 5.028 30 20 IKED COCC[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccc(Cl)c(Cl)c1 505040647 WEEJRHNKVLQWIX-OAQYLSRUSA-N 432.351 5.317 30 20 IKED CCOc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC 510577470 GIMLJZVTMORRKH-UHFFFAOYSA-N 431.492 5.388 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C 513547643 DZMDWGAKBJQCPR-UHFFFAOYSA-N 436.556 5.174 30 20 IKED Cn1c([C@H](C#N)C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)nc2ccccc21 513672661 SVVAUIPTOHMPJP-QGZVFWFLSA-N 436.393 5.269 30 20 IKED CC(C)n1ncc2ccc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc21 513871119 LRNNOIBIGZDVHW-UHFFFAOYSA-N 441.510 5.862 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)[C@@H](Oc1ccccc1Br)c1ccccc1 514454204 DRIMAMDGHHZFAK-QFIPXVFZSA-N 435.321 5.099 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 515542548 SQEOTZQJXFWMGY-QGZVFWFLSA-N 435.961 6.386 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(-c4ccc(C)o4)nc3C)n2)cc1 516713639 DQUHCVYSXPWLSL-INIZCTEOSA-N 435.530 5.642 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 517517520 BGKTXGCORQJTGO-ZDUSSCGKSA-N 444.969 5.515 30 20 IKED COc1cccc(Oc2ccc(CNC(=O)Nc3ccccc3SC[C@@H](C)C#N)cn2)c1 521258759 DGRFBTZXEONFPY-KRWDZBQOSA-N 448.548 5.456 30 20 IKED CCN(Cc1cccc(Br)c1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 521935779 CRLVSXBXLQBUMY-UHFFFAOYSA-N 436.309 5.170 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 522072428 MSHGTYQPAWRXQL-DLBZAZTESA-N 444.551 5.003 30 20 IKED N#CCCSc1ccccc1NC(=O)c1cc(Br)sc1Br 523958308 QUPREJOQSURJOW-UHFFFAOYSA-N 446.189 5.531 30 20 IKED Cc1ccc(CN(Cc2ccco2)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)s1 524377260 YKBDIZLUHFFBTL-UHFFFAOYSA-N 432.501 5.536 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3ccco3)nc2O)cc1Cl 524707731 AJHLXSXCANGLNP-IBGZPJMESA-N 429.863 5.608 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc(-c3ccccc3)nc3cc(F)ccc23)n1 524931930 LVDOWXIJNHHDGW-SFHVURJKSA-N 445.475 5.164 30 20 IKED Cc1cccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1Br 534508450 HMSWZXKQVOREEE-UHFFFAOYSA-N 435.321 5.655 30 20 IKED COc1cc(OC)c(OC)cc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 535631795 SWAJCMKIABTHNS-UHFFFAOYSA-N 438.867 5.282 30 20 IKED C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccc(Br)cc1C(F)(F)F 538456255 OFWKPVXAJXEHDT-GOSISDBHSA-N 425.248 5.113 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 544166082 IBGWICAFBXXQRU-UHFFFAOYSA-N 448.331 5.266 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCC1CCN(C(=O)C(C)(C)C)CC1 547253315 JETKMKWFDVRQJP-QGZVFWFLSA-N 447.670 5.037 30 20 IKED N#CC1(c2ccccn2)CCN(CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CC1 548865138 MRBMQBHLWLROCI-UHFFFAOYSA-N 446.938 5.023 30 20 IKED C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 549272487 HTGITDWRLUYLGO-HXUWFJFHSA-N 445.611 5.053 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)c1ccc(CNC(=O)C2CCCC2)cc1 551457314 BSPNDKBSZCDYDB-UHFFFAOYSA-N 437.543 5.212 30 20 IKED C=CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 551844762 ZOHQYLYEYMDREQ-ZWKOTPCHSA-N 439.924 5.694 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(-c3cccc4cccnc34)cc2)n1 552063464 AAWJYKDICQWXAW-IBGZPJMESA-N 427.485 5.025 30 20 IKED COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 557066592 AKFPTHIVWSIMDU-UHFFFAOYSA-N 428.467 5.166 30 20 IKED CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)Nc1cccc(C#N)c1 558727354 SDSDAUCVHKUHKE-UHFFFAOYSA-N 444.491 5.252 30 20 IKED N#Cc1ccc(N2CCC(NCc3csc(-c4ccc(C(F)(F)F)cc4)n3)CC2)cc1 560530700 SAVVLXSKVGHHKA-UHFFFAOYSA-N 442.510 5.459 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCCC[C@H]3c3nnc(C4CCC4)o3)s2)cc1 564139129 QQLHUSXYQNKNRQ-IBGZPJMESA-N 448.552 5.015 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCc3nc(-c4ccccc4Cl)sc3C2)cc1 564160362 IKCIVQSMERWBDJ-UHFFFAOYSA-N 436.968 5.855 30 20 IKED COc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c(C(F)(F)F)c1 566819533 ADAARWIYEPSKRK-UHFFFAOYSA-N 446.812 6.284 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c(F)c1 569275062 WJYDWPYVSSMLRE-UHFFFAOYSA-N 431.467 5.565 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1)[C@H]1C[C@@H]1C 571913755 PFVMLBBMYPEUQQ-SBUREZEXSA-N 441.556 5.723 30 20 IKED COc1cc2c(cc1F)CC[C@H]2NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 572258384 KJIAJONELJGEGF-XMMPIXPASA-N 445.494 5.288 30 20 IKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1cccc(C(F)F)c1 591006886 AVVOVYZLMPYAGQ-UHFFFAOYSA-N 443.290 5.759 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)o1 603954874 GXXJQSVXISFALC-UHFFFAOYSA-N 426.394 5.342 30 20 IKED O=C(c1csc(Cc2ccccc2F)n1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 605087176 OMVFIEVSLDAXJI-TXEJJXNPSA-N 440.384 5.076 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@H](c2ccccc2F)C1 608995672 VIFMOMLWHVATLD-DEOSSOPVSA-N 431.467 5.404 30 20 IKED C[C@@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)C(C)(C)c1ccccc1 609078246 SGBJAJVMPBYCSF-OAHLLOKOSA-N 437.594 5.190 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](c1ccccc1)c1ccccn1 609078768 MXOTZTACAXMIEQ-HHHXNRCGSA-N 448.526 5.752 30 20 IKED CN(C)CCCOc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1 609331197 NRMGYRDCHBHBFS-UHFFFAOYSA-N 433.483 5.072 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CCN(C)c1ccccc1 609355465 CJZYNWITGJDMPG-UHFFFAOYSA-N 428.536 5.046 30 20 IKED CCOc1c(Br)cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC 609427779 LATLRFGUYBLTAW-CYBMUJFWSA-N 449.370 5.503 30 20 IKED CN(Cc1cc(Br)cs1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 609503916 GVXAERVYUXIOIE-UHFFFAOYSA-N 441.350 5.641 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)CC1 609508523 GLQVZSOPEATQAR-WXDAQCLHSA-N 428.454 5.187 30 20 IKED N#Cc1c(NC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)sc2c1CCCC2 609563138 TUCQMXIXFLYLGG-GOSISDBHSA-N 443.572 5.143 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCCc1nc(-c2cccc(Cl)c2)no1 609636336 UQQXBYQWBSZZSE-AWEZNQCLSA-N 441.944 5.006 30 20 IKED COc1cc(C[S@@](=O)Cc2ccccc2Cl)ccc1OCc1cccc(C#N)c1 609743172 ZLOGSACFCMWYJD-GDLZYMKVSA-N 425.937 5.248 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(OC2CCCCC2)cc1 609783756 JFZTVHGPTVYYAU-UHFFFAOYSA-N 427.504 6.018 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCCCC[C@@H]3c3ccco3)c2)c1 609927731 KALHMZFSKYJLTI-JOCHJYFZSA-N 428.492 5.553 30 20 IKED C[C@@]1(C#N)CCCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C1 612365020 GICWXHCZLWFUCU-NRFANRHFSA-N 438.534 5.122 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccc(F)cc4F)c3C)n2)cc1 613318195 PBQRLIDOVPYONG-QGZVFWFLSA-N 434.471 5.381 30 20 IKED N#Cc1cc(Cl)c(C(=O)NCc2ccc(OCc3ccccc3F)cc2)c(Cl)c1 613550806 YEGWPYOGCBQRFD-UHFFFAOYSA-N 429.278 5.513 30 20 IKED COC(=O)c1ccccc1-c1ccccc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 618561442 KLXUQHJSJBGPHU-LJQANCHMSA-N 430.460 5.379 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OCc4ccccc4)cc3)n2)cc1 619756432 GCCMJUDCIIFTGX-QHCPKHFHSA-N 440.524 5.888 30 20 IKED Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2cccs2)c1C 619855093 PRELSQVGGSUFDO-CYFREDJKSA-N 435.597 5.275 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2ccccc2C)nnc1-c1ccc(Cl)cc1 642054245 YQMWPGAFPQCNMK-QGZVFWFLSA-N 441.000 5.405 30 20 IKED O=C(COc1ccccc1C(F)(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642161243 FCNIANCLNKQBMV-URLYPYJESA-N 437.302 5.110 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)c1nc2cc(F)ccc2s1 678572090 ASYZYHSUVCVQCL-LBPRGKRZSA-N 431.279 5.418 30 20 IKED Cn1c([C@@H](C#N)C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)nc2ccccc21 726318754 POULHUYWPQSTMY-INIZCTEOSA-N 440.450 5.135 30 20 IKED COc1ccc(C2(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CCC2)cc1 726322612 NDEZNMWESQOKAA-INIZCTEOSA-N 430.451 5.622 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)CCC3)[n+]2ccc(CC)cc2)c1 726572886 ITJYNHZLIZCFGR-UHFFFAOYSA-O 425.577 5.330 30 20 IKED Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728183391 UJEIMWSEWUFKOI-UHFFFAOYSA-N 445.425 5.631 30 20 IKED Cc1c(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cccc1OCC(F)(F)F 728271267 RHWZPPOUSUSOJW-UHFFFAOYSA-N 427.426 5.468 30 20 IKED Cn1c([C@H](C#N)C(=O)[C@H](Sc2ccc(F)cc2F)c2ccccc2)nc2ccccc21 730072332 UBKWWRVEKUGLOQ-UZUQRXQVSA-N 433.483 5.561 30 20 IKED N#C[C@H](C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1nc2cc(F)ccc2s1 730422571 YRAKNWMNPRFZPP-TZIWHRDSSA-N 442.471 5.380 30 20 IKED COc1ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)c(Cl)c1OC 730430031 BAQXSDLFNJWTJM-UHFFFAOYSA-N 443.743 5.093 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCC1CCCCCCC1 731125181 BRPKWGCYSXDLAU-UHFFFAOYSA-N 441.519 5.126 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1 731196029 ULAUEIGFGCEZPF-KRWDZBQOSA-N 434.323 5.013 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H](O)c3ccccc3C(F)(F)F)cc2)c1 731400171 LRMQZQVZOHBZJA-NRFANRHFSA-N 441.409 5.224 30 20 IKED Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 731640402 NWMPKRQHBTUDCU-KRWDZBQOSA-N 434.517 5.626 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C)OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 732398596 AFWZOVVNGFTGJC-KRWDZBQOSA-N 443.503 5.054 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)OCc3coc(-c4ccc(Cl)cc4)n3)cc2)nc1 732399755 XDPZSZWILOCZAK-UHFFFAOYSA-N 431.835 5.411 30 20 IKED C#CCN(C(=S)Nc1ccc(C)c(C)c1)[C@H]1CCOc2ccc(Br)cc21 733087687 WWTVZACOWGUMCX-IBGZPJMESA-N 429.383 5.222 30 20 IKED COc1cc(/C=C/C(=O)c2cccc(C)c2C)ccc1OCC(=O)Nc1ccccc1Cl 734305433 VECZEERKHNYHSA-ACCUITESSA-N 449.934 5.879 30 20 IKED Cc1ccc(C)c(Oc2cccc(Cl)c2C=Nn2c(S)nnc2[C@H]2CCCO2)c1C 734744555 AJEGWEPMJIMRRV-LJQANCHMSA-N 442.972 5.671 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C\c1cnc2ccc(C#N)cn12 736434501 UMOITFBIJHCOAQ-FPLPWBNLSA-N 449.333 5.297 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCC(C)(C)NC(=O)OC(C)(C)C)n2)cc1 739155673 KFHWNVFTRRPWBV-KRWDZBQOSA-N 427.570 5.378 30 20 IKED Cc1c(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cccc1OCC(F)(F)F 740447719 LEPTWRYGXQANNK-UHFFFAOYSA-N 445.466 5.858 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1ccc(OCc2ccccc2F)cc1 743473624 PDQNNZDDOJGARI-IBGZPJMESA-N 447.510 5.161 30 20 IKED Cc1c(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cccc1N1CCOC1=O 743787832 PMLCBHWASCGYTO-UHFFFAOYSA-N 431.423 5.007 30 20 IKED C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1C(F)(F)F 744030192 AGHLDHOGJFDOGO-FZMZJTMJSA-N 443.252 5.853 30 20 IKED COc1ccc2sc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c(C)c2c1 744061156 HPFJKQXHDVSUCE-GOSISDBHSA-N 429.526 5.704 30 20 IKED N#CCn1cc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(F)cc2)CCC3)cn1 747434273 AFJWUOYKNRIHFE-NBVRZTHBSA-N 437.478 5.223 30 20 IKED CN(c1ccccc1)c1ccc(/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)cc1[N+](=O)[O-] 748583636 IGONODIBFHQSST-RIYZIHGNSA-N 443.459 5.215 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)[C@@H](C)c1nc2ccccc2s1 748788128 NRNQGJDDGZAPDC-GFCCVEGCSA-N 442.470 5.759 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)Cn1nc(OC(C)C)sc1=S 749246623 TUQLBTGBXVEZMB-UHFFFAOYSA-N 432.384 5.009 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3c(Br)cccc3C2)cc1 750301369 FNMNFKGDZILQHD-QFIPXVFZSA-N 446.348 5.695 30 20 IKED Clc1cccc(-c2nn(-c3ccccc3)cc2C=NNc2nc(-c3ccncc3)no2)c1 750947659 CJTXPIJLWBIXAA-UHFFFAOYSA-N 441.882 5.084 30 20 IKED C[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)C(c1ccccc1)c1ccccc1 754275839 WSBSQTATHQRGFP-WMZHIEFXSA-N 432.527 5.034 30 20 IKED COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 754897790 AIBCJWJAFYWSDN-QFIPXVFZSA-N 434.879 5.066 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N(Cc1ccccc1)C[C@@H](O)c1cccs1 755787915 PWIYMEXRJPYLII-OAQYLSRUSA-N 435.549 5.175 30 20 IKED C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F 760251319 UZYMVARBMVUAMU-MRVPVSSYSA-N 440.714 5.263 30 20 IKED CN1CC[C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)[C@@H]1c1ccc(F)c(F)c1 764514555 VGUXTWFNBPHJOJ-ZODMCCGTSA-N 446.501 5.187 30 20 IKED CC1(C)C[C@H]1C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 764754617 IBMOKVXTJHNHMI-YFKPBYRVSA-N 428.213 5.017 30 20 IKED COc1ccc(/C=C\C(=O)c2sccc2Br)c(OCc2cccnc2)c1 766488613 AGAJDXNLAJQSHL-ALCCZGGFSA-N 430.323 5.389 30 20 IKED CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cn(CCCC#N)c2ccccc12 769545908 DIIHZJAGBIWRMA-RTBURBONSA-N 431.536 5.643 30 20 IKED C[C@@H](Oc1cccc2ccccc12)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 774052145 KVAXBQRFIRPMHB-DYVFJYSZSA-N 427.287 5.261 30 20 IKED COc1ccc(-c2ccncc2)cc1C=Nn1cnnc1SCc1ccc(Cl)cc1 774347906 HNXPSTUCXSJZII-UHFFFAOYSA-N 435.940 5.177 30 20 IKED Cc1cc(C#N)ccc1NC1CCC(OC(=O)[C@@H](OC2CCOCC2)c2ccccc2)CC1 779236370 ZEYBGGOWFHIVNR-JGZAQREWSA-N 448.563 5.070 30 20 IKED Cc1nc2cc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)ccc2n1-c1ccccc1 780305950 OQZNUBPEKYIZSR-QHCPKHFHSA-N 444.494 5.448 30 20 IKED C[C@H](NC(=O)N1CCC([C@H](O)c2ccccc2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 782755172 NYNZKUWHSAKCEE-CCLHPLFOSA-N 439.559 5.441 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)c1cccc(-c2ccoc2)c1)c1ccc(Cl)cc1Cl 787055020 YTFCEWQMQNWCRM-DJJJIMSYSA-N 427.287 5.453 30 20 IKED CCOC(=O)C1(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CCC1 789349373 XFQBVLSCIIHUFD-AWEZNQCLSA-N 437.348 5.417 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCc1ccccc1NC(=O)OC(C)(C)C 790766136 ATJWIGISTWJTFS-IBGZPJMESA-N 445.519 5.348 30 20 IKED C[C@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 796036001 FLMMXOXZIJTZJY-LBPRGKRZSA-N 430.291 5.763 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)COc2ccc(Br)cc2Cl)s1 797569761 WFDKAWBVJVNYJJ-NSHDSACASA-N 427.751 5.112 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)s1 797570953 MDMZKDBGZFCAFR-OAHLLOKOSA-N 449.523 6.002 30 20 IKED Fc1cc(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)ccc1OCC(F)(F)F 799968314 DZXDLXJZHIVZID-UHFFFAOYSA-N 435.299 5.448 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)c1 806808422 CSCLQRCJDRXQOS-FQEVSTJZSA-N 434.515 5.077 30 20 IKED Cc1nc([C@@H](C)OC(=O)c2cnc(C(F)(F)F)c(C#N)c2)oc1-c1ccc(Cl)cc1 815476393 WTLPVNXHYHMCLN-LLVKDONJSA-N 435.789 5.507 30 20 IKED C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(C(F)(F)F)nc1Cl 816762136 RYVHECXREWLOEU-LBPRGKRZSA-N 449.816 5.288 30 20 IKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1sc2ccccc2c1Cl 839414766 NJEQQBGCXMVABM-UHFFFAOYSA-N 444.969 5.295 30 20 IKED Sc1nnc(-c2ccco2)n1N=Cc1ccc(-c2ccc(Br)cc2)s1 863966120 WXHYBCNHMMSZHN-UHFFFAOYSA-N 431.340 5.200 30 20 IKED Cc1ccc(N2C(=O)CC[C@H](C(=O)N(C)Cc3ccc(C#N)cc3)[C@H]2c2cccs2)cc1 914492252 VMINNPFFWRFKMI-DHLKQENFSA-N 443.572 5.071 30 20 IKED COc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915353767 WXGBGNNNZYUBIO-SXOMAYOGSA-N 439.559 6.500 30 20 IKED CCN(CC)Cc1cccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 916400740 LTOMWWSRMYXMBA-SANMLTNESA-N 426.564 5.506 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(-c2nc3ccccc3s2)s1 916881068 LNRCRCFFCQSECP-AWEZNQCLSA-N 437.933 5.639 30 20 IKED N#C[C@H](C(=O)/C(=C/c1ccc(F)cc1)c1cccs1)c1nc2ccccc2n1C(F)F 917039844 FOHSFVBTWNLVKA-NWNNTGRJSA-N 437.446 6.049 30 20 IKED N#C[C@H](C(=O)C1(c2cccc(Br)c2)CC1)c1nc2cc(Cl)ccc2s1 917045834 ASRRQLLNSNOMBE-CQSZACIVSA-N 431.742 5.620 30 20 IKED Cc1cccc(N(CCC#N)C(=O)COC(=O)/C=C\c2ccc3ccc(Cl)cc3n2)c1C 919061441 ZQOUUWGOLHSKIW-QXMHVHEDSA-N 447.922 5.008 30 20 IKED Cc1cccc(NC(=O)[C@H](OC(=O)c2ccc(COc3ccccc3C#N)o2)C(C)C)c1C 919514001 BJJAEWYWVVGWLL-XMMPIXPASA-N 446.503 5.167 30 20 IKED Cc1nc(CON=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)oc1C 920256975 LRJRMJWFTNMUQJ-UHFFFAOYSA-N 442.515 6.000 30 20 IKED C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1507789793 LJMZOTLHHALOMF-FQEVSTJZSA-N 444.421 5.000 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCC4CCC4)cc3)CCC2)c1 1786263087 GZXDEJNIDBMBIM-IBGZPJMESA-N 429.564 5.642 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CCCc3ccncc3)cc2)CCC1 1786904532 GCEVMBZTLBLCAS-UHFFFAOYSA-N 431.580 5.307 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cnc3Cl)CCC2)cc1 1789456235 MTXKFDZNYKQCMM-IBGZPJMESA-N 441.934 5.390 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4cccs4)on3)cc2)CCC1 1789775951 GMYJKZXUAJHWAH-INIZCTEOSA-N 435.549 5.363 30 20 IKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C3CC3)cc2)[C@@H]1c1cccnc1 1803090661 IGTXDXUDDIXRNR-CLJLJLNGSA-N 443.591 5.047 30 20 IKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4ccc(Cl)c(C)c4Cl)CC3)C2)C1 1804789233 LERFJBKQQVPKML-UHFFFAOYSA-N 435.395 5.113 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cccc4nscc34)CC2)C1 1804866570 IBRYMQYBVFBLEM-UHFFFAOYSA-N 439.625 5.134 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ncsc23)n[nH]1 1819154132 RBSOEEYNCCJCNV-UZLBHIALSA-N 449.580 5.094 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC)cc2F)CC1 1823753638 WRLVSIGKJVJENJ-HSZRJFAPSA-N 444.591 5.060 30 20 IKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)CCC3CCCC3)CC2)c1 1826265078 RPUXCIQFYJKWTD-SANMLTNESA-N 449.639 5.081 30 20 IKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCC3CCCC3)CC2)c1 1826269778 UXHZSJYEBWZPSC-RUZDIDTESA-N 435.612 5.070 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ncccc23)CC1 1829066581 KEVRYQOBRRQMBC-VWLOTQADSA-N 447.623 5.461 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2)c2ccccc2)nnc1-c1ccc(F)cc1 10534345 NZJSKYKHHRMDEH-QFIPXVFZSA-N 444.535 5.742 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)Cc3csc(-c4ccccc4)n3)c2)c1 32288262 PXTHRHRPVDVGMC-UHFFFAOYSA-N 425.513 5.442 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2Oc2ccccc2)nc2sccc2c1=O 36799791 GPDSRQZWNRFWIS-UHFFFAOYSA-N 449.557 5.167 30 20 IKED COc1ccc(-c2nc(S[C@H](c3ccccc3)c3ccccc3C)nc(O)c2C#N)cc1 78874966 YHLBHHCNFVUVOP-XMMPIXPASA-N 439.540 5.920 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(SCc4cccnc4)cc3)c2)cc1 303185273 LBIDJSFPWSROHX-UHFFFAOYSA-N 437.524 6.290 30 20 IKED CN(Cc1ccc(F)cc1Cl)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 303308103 OEFHNGOAZKOMJQ-UHFFFAOYSA-N 437.902 5.788 30 20 IKED Cc1ccccc1COc1cccc(CC(=O)Nc2ccccc2SC[C@H](C)C#N)c1 303314802 RYYFBHRDXGGNMF-LJQANCHMSA-N 430.573 6.007 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]1c1nc2ccccc2s1 303351559 FFPJIFGTPPRMPR-QFBILLFUSA-N 436.606 5.466 30 20 IKED CC(C)n1cnnc1[C@@H]1CCCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1 303632146 FXMXGVDKPRZYFN-GOSISDBHSA-N 449.942 5.196 30 20 IKED C=CCc1cccc(C(C)C)c1NS(=O)(=O)Cc1cc(OC)ccc1Br 410342834 OJKGEEZIPUEQAJ-UHFFFAOYSA-N 438.387 5.252 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3CCOC4(CCCCC4)C3)cc2F)c1 426083923 FNDUZXJXAOUMED-NRFANRHFSA-N 437.515 5.280 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 437882676 ROJZGBFKYRXBMG-NQIIRXRSSA-N 448.910 5.489 30 20 IKED N#CCC[C@@H](NC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1ccccc1 439382060 FTLMNZSJCHXCLW-WBBHLRKXSA-N 431.561 5.302 30 20 IKED N#CC1CCC(CNC(=O)c2ccccc2SCc2ccc(Br)cc2)CC1 441141963 DWABLGMJJLYWJE-UHFFFAOYSA-N 443.410 5.801 30 20 IKED C=CCC[C@H](NC(=O)N[C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(C(F)(F)F)cc1 441531243 CWPQPIKLQXRWCD-WSTZPKSXSA-N 428.520 5.067 30 20 IKED CC(C)(C)Cc1nc(-c2ccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cc2)no1 442681199 ROIDLYQAROWPGA-INIZCTEOSA-N 449.461 5.560 30 20 IKED CCOc1ccc(-c2nc(CC(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)cs2)cc1 443874775 BVOSWIHPZLTEEG-UHFFFAOYSA-N 431.439 5.280 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 460389103 RNPZQNKEBOTQIL-DEOSSOPVSA-N 432.568 5.311 30 20 IKED Cc1nc(C(F)(F)F)sc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 463587872 HJYAPKQDEKGDDB-HNNXBMFYSA-N 435.858 6.032 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)NCc1cc(C#N)ccc1F 465908334 KZTBXDHXNPHAFK-CYBMUJFWSA-N 428.920 5.343 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(CC=C)[C@@H](C)c1cccc(-n2cnnn2)c1 475569213 PTUKDZVNFAVHBM-IBGZPJMESA-N 430.556 5.295 30 20 IKED CN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@@H]1CCSc2ccc(Br)cc21 475661709 MZNFDWBRXUTGLX-VQIMIIECSA-N 429.383 5.532 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2F)c1 477795142 JVHVLBHFYYSFKO-UHFFFAOYSA-N 440.818 5.482 30 20 IKED N#Cc1ccc(SCC(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc1 481933865 VSWVUAFTGNZZPL-UHFFFAOYSA-N 426.375 5.781 30 20 IKED C[C@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 483054720 RMGYVZCBIOTQPG-UZUQRXQVSA-N 433.939 5.796 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 487747615 ISQPFMNIVUXDBZ-AWEZNQCLSA-N 449.561 5.200 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1ccc(F)cc1)C(F)(F)F 488228641 GLQXZWYAPMCJRH-DJJJIMSYSA-N 425.451 5.052 30 20 IKED C[C@H](Sc1nnc(CCC2CCCCC2)o1)C(=O)Nc1sc2c(c1C#N)CCC2 488873453 ZBJZAPVBIBGYGB-ZDUSSCGKSA-N 430.599 5.124 30 20 IKED N#Cc1ccccc1NC(=O)CCSc1nnc(Cc2ccccc2)n1C1CCCCC1 489424884 KVTIYAGBWIOAKD-UHFFFAOYSA-N 445.592 5.367 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 492176310 ACNSGCMNIOTTLB-AWEZNQCLSA-N 437.491 5.165 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc4nc(C(F)F)sc4c3)CC2)cc1 493039051 XRIRKIVJQATSMV-UHFFFAOYSA-N 428.464 5.181 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccc(Br)c(F)c1 494753637 ZMEHEHVCPVZYNU-CYBMUJFWSA-N 436.350 5.646 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(Oc3ccncc3)c2)cc1 496630393 JHTQZFZSYGPPEU-UHFFFAOYSA-N 435.483 5.771 30 20 IKED Cc1cc(-c2cc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)c3c(C)noc3n2)c(C)s1 498521444 RUMXYBXZSFPAKI-INIZCTEOSA-N 436.562 5.947 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](Oc2ccc(F)c(F)c2)c2ccccc2)cc1 499686885 WVSVAOCBPGXXLL-QFIPXVFZSA-N 437.446 5.031 30 20 IKED CN(CC1CCN(c2ccncc2)CC1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 499871260 NTQYDCSCBYZBGB-UHFFFAOYSA-N 441.535 5.126 30 20 IKED Cc1nc2cc(F)ccc2cc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 501481483 RRPQPYGRZACLJS-UHFFFAOYSA-N 425.463 5.580 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc(NC(N)=O)cc1 502492161 OCDXECQQCRYSFR-AWEZNQCLSA-N 449.898 5.377 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccccc2)nc1)c1nc(-c2ccc(Cl)cc2)cs1 503504946 XKHFTIQJPGIHBC-IBGZPJMESA-N 431.904 6.141 30 20 IKED CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 504073533 GNOYXUZDLCXHAW-YADARESESA-N 437.927 5.196 30 20 IKED C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@@H](c2nccs2)C1 508474304 SRAXLJBRQCFRAM-GOSISDBHSA-N 447.564 5.144 30 20 IKED COc1ccccc1[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)N(C)C 510503158 RXFJHZSVZYXWPC-DEOSSOPVSA-N 444.535 5.092 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(Br)cc1Br 511031438 QEQRDQYCOXUBFO-UHFFFAOYSA-N 438.119 5.123 30 20 IKED N#C[C@H](C(=O)c1cccc(COc2cccc(F)c2)c1)c1nc(-c2ccncc2)cs1 512949387 WDYOFPYSKQULNY-OAQYLSRUSA-N 429.476 5.413 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2cccc(OCC(F)(F)F)c2)c1 513289105 KSHWMTAUKVZMLG-UHFFFAOYSA-N 426.394 5.331 30 20 IKED COc1ccccc1-c1nnc(Sc2ncc(C#N)cc2Cl)n1CCc1ccccc1 513645561 NDXAYLUPYGSEBS-UHFFFAOYSA-N 447.951 5.268 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccc(Cl)c2cccnc12 515654965 ILARNALKFCGPCN-UHFFFAOYSA-N 444.878 5.273 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OCC(C)C)c(OC)c3)n2)cc1 517800806 JVYLYQGSCSXNIF-LJQANCHMSA-N 436.533 5.352 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(Oc2cccc(F)c2)nc1 518164414 ATFPAHOMAGLKDK-MRXNPFEDSA-N 436.512 5.586 30 20 IKED Cc1nc(-c2ccccc2)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 518546193 AHOCKPQHJVGDMX-KRWDZBQOSA-N 435.961 6.386 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N(Cc3ccco3)c3ccc(F)cc3F)cc2)nc1 518904660 XAGYCDCEPVVNDQ-UHFFFAOYSA-N 431.398 5.464 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CN(C)[C@H](C)c2ccc(C(F)(F)F)cc2)cc1 519908483 ZXPSWIKETWCQHD-QGZVFWFLSA-N 433.474 5.044 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 519923717 IVORLOUQIWKKDN-OAQYLSRUSA-N 442.563 5.461 30 20 IKED CC(C)CC(=O)Nc1cccc(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)c1 520398456 SBOIOWLYUUIXSM-UHFFFAOYSA-N 441.531 5.052 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1OC(F)F 520429955 YMIMGMYQXBVZLZ-NSHDSACASA-N 436.386 5.188 30 20 IKED C=C(C)CN1CCC(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)CC1 520683330 RZTAPDOUHGZPAV-UHFFFAOYSA-N 437.634 5.238 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)Cc1csc(-c2cccc(F)c2)n1 521417224 WGWNLLKYCXSOBS-UHFFFAOYSA-N 427.504 5.597 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1cccc(F)c1)C1CC1 524440100 YROADNGPZKYJAA-UHFFFAOYSA-N 429.495 5.781 30 20 IKED COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1-c1ccccn1 534353928 UGHIOTASAIXUTK-FQEVSTJZSA-N 425.513 5.679 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1Cl 534874333 MBYCOOQAVZSTIC-UHFFFAOYSA-N 431.879 5.148 30 20 IKED CC(=O)N1CC[C@@H](NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c2ccccc21 535307360 IUUSJMCFFJINAM-JOCHJYFZSA-N 445.906 5.232 30 20 IKED CN(C(=O)c1ccc(Cl)c(NC(=O)c2ccc(C3(C#N)CC3)cc2)c1)c1ccccc1 537464236 LADWYGHKSAGDCJ-UHFFFAOYSA-N 429.907 5.424 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1ccc(F)cc1)C1CCCC1 538212018 RAMJLHBQTPHHSU-XDHUDOTRSA-N 425.573 5.537 30 20 IKED N#Cc1ccc(CN2CCC(NCc3ccc(COCc4ccccc4)cc3)CC2)cc1 538398653 SGHMLVGBAXFMPB-UHFFFAOYSA-N 425.576 5.029 30 20 IKED C[C@@H](NC(=O)N1CCC(CCCn2ccnc2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 541184546 RVVRMROUKJXYIU-OAQYLSRUSA-N 441.579 5.385 30 20 IKED CC(C)c1nc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)no1 541193220 DQFAXCJWPMNZDL-GFCCVEGCSA-N 435.290 5.624 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCC(Oc3cccc(Br)c3)CC2)cc1 545420909 PFLQRHXTDYNTEG-UHFFFAOYSA-N 442.357 5.326 30 20 IKED CN(C)C(=O)c1cccc(-c2noc(-c3ccc(Oc4ccccc4C#N)c(Cl)c3)n2)c1 545577133 PRKIVDIFHUNIQG-UHFFFAOYSA-N 444.878 5.423 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)c1 548774383 CGLGCSYQZCPKCZ-UHFFFAOYSA-N 442.906 5.097 30 20 IKED CC(C)c1ccc([C@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)c2cccs2)cc1 548822832 ZSOPAKKTXSGNEH-DEOSSOPVSA-N 444.604 5.623 30 20 IKED C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N(C)Cc1csc([C@H](C)OCC)n1 549273761 HNWHLRZVITWHIV-INIZCTEOSA-N 437.569 5.458 30 20 IKED COc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc(Br)c1OC 550699744 UENLPQDNBZOSDO-GFCCVEGCSA-N 435.343 5.113 30 20 IKED Cc1c(COc2ccccc2)cccc1NC(=O)N(C)CCOCc1ccc(C#N)cc1 554755230 JLPSWEZKDQQBIF-UHFFFAOYSA-N 429.520 5.126 30 20 IKED C=CCn1c(-c2ccccc2OC)nnc1N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 554928119 KQSNOXRQRYQPLD-UHFFFAOYSA-N 429.499 5.054 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C 561241496 VJGOQBBRSBKPRB-UHFFFAOYSA-N 448.615 5.368 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)CC2)c(F)c1 562014579 HKUJEPRNPXYTGY-UHFFFAOYSA-N 427.479 5.344 30 20 IKED N#CC1(c2ccccn2)CCN(Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 567369255 WASZPOWABSDAQP-UHFFFAOYSA-N 430.939 5.045 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)cc(OC)c1OC 590468960 IWLIBZJUUHZXGJ-UHFFFAOYSA-N 447.969 5.341 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(Cn4cccn4)cc3)cc2Cl)cc1 604027121 GWUOHNOCHABBFN-UHFFFAOYSA-N 428.879 5.501 30 20 IKED C=CCCCCCN(C)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@H]1C 606940706 XNOVGAHJIJACND-KDURUIRLSA-N 445.604 5.317 30 20 IKED CC(C)(C)n1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)c(-c2ccc(F)cc2F)n1 608552736 CDAIOEPNXRJJQZ-GOSISDBHSA-N 430.458 5.622 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)(C)C 608919802 LIRLXTVSXIYOPT-NRFANRHFSA-N 447.501 5.522 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c12 609020696 OTKDIAHLVHEQAX-UHFFFAOYSA-N 446.463 5.343 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]3c3cccs3)cc2Cl)c1 609081066 ZCJBBZKACFTXTR-HXUWFJFHSA-N 437.952 6.221 30 20 IKED COc1ccc([C@H](NC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccccc2)cc1 609399359 PPYNLIYSIRFXSB-MHECFPHRSA-N 431.561 5.858 30 20 IKED COc1cc(CS[C@@H](C)C(=O)N2CCC(C)CC2)ccc1OCc1cccc(C#N)c1 609741055 AUDHUHVTHHFQSK-IBGZPJMESA-N 438.593 5.026 30 20 IKED CSc1cccc([C@@H](NC(=O)N[C@@H](C)c2cccc(C#N)c2)c2cc(F)ccc2F)c1 610357490 NTBUOJXHVUUNGA-NPMXOYFQSA-N 437.515 5.708 30 20 IKED COc1ccc2c(c1)CC[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)C2 612343198 LVLACULZLTZADG-JOCHJYFZSA-N 428.557 5.146 30 20 IKED Cc1nc(-c2cccs2)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 613319116 PCHIWQXZQVBXDQ-AWEZNQCLSA-N 441.990 6.447 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 618783641 IDZFMQQZYPKRJQ-VLIAUNLRSA-N 437.952 5.292 30 20 IKED O=C(C[C@H](c1ccccc1)C(F)(F)F)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 622585215 UWMWKVMOXHYCII-IEBWSBKVSA-N 433.367 5.839 30 20 IKED O=C(Cc1csc(NC(=O)c2cccs2)n1)Nc1cccc(C#Cc2ccccc2)c1 629001065 MRYVIUCQDJHTJY-UHFFFAOYSA-N 443.553 5.038 30 20 IKED O=C(NCCCSc1ccc(F)cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642629092 GMYGWCXBAUOJKT-VXGBXAGGSA-N 446.432 5.517 30 20 IKED O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 674618006 GXVGYVIHIDTUBJ-RHYQMDGZSA-N 442.366 5.564 30 20 IKED C[C@@H](CSc1ccc(F)cc1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 674783612 HHWIDPXOGGIXIR-CIQGVGRVSA-N 431.417 5.580 30 20 IKED Cc1ccc2nc(-c3cccnc3)cc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c2c1 677564297 FRUBFQMAWBNMQZ-IBGZPJMESA-N 438.487 5.844 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1CCCOc2cc(F)ccc21 679028228 YDXADOQTXACODE-REJLFOLJSA-N 442.375 5.248 30 20 IKED Cc1c(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)noc1-c1ccccc1F 683969787 HYPVZRAPQALTGC-QWRGUYRKSA-N 439.331 5.384 30 20 IKED COc1ccc(C(=O)/C=C/c2ccc(-c3ccc(C(F)(F)F)cc3)o2)cc1NC(C)=O 726427757 VVAAWIOESJPWTI-CSKARUKUSA-N 429.394 5.829 30 20 IKED Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 728687985 RSBQHPXPWBAOLY-AREMUKBSSA-N 426.564 5.246 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cccc(OCc2ccc(Cl)cc2)c1 729068525 YTJUAYZRUKOITJ-NRFANRHFSA-N 439.298 5.534 30 20 IKED Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CC(=O)N(CCC#N)c2ccc(C)c(C)c2)n1 729240074 QYCLZABLTSTPKV-UHFFFAOYSA-N 442.350 5.124 30 20 IKED C=CCNC(=O)c1ccccc1NC(=O)c1sc2cc(Br)ccc2c1Cl 729829181 YAKBISWAFQMTSY-UHFFFAOYSA-N 449.757 5.485 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3sccc3SC(F)F)cc2F)c1 730492628 AMLCGQRZZSGDAN-UHFFFAOYSA-N 434.464 5.905 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(SC(F)F)cc1 731065779 FPIPBLJMBQKAHC-ZDUSSCGKSA-N 436.505 5.049 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCOc3c(Cl)cccc3C2=O)cs1 733748558 CEBMDJRNWPORRU-FOWTUZBSSA-N 438.936 5.838 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2oc3cc(OC)ccc3c2-c2ccccc2)c1 733774761 KOQCXEBCQUJYNP-HXUWFJFHSA-N 440.499 5.719 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)C3CCOCC3)cn2)cc1 734644971 XAKRVPROXFEVEN-DEOSSOPVSA-N 428.492 5.035 30 20 IKED C[C@H](OC(=O)c1ccc(Oc2ccc(C(C)(C)C)cc2)nc1)C(=O)Nc1ccccc1C#N 741380323 WLTYHFBYTOIWMJ-KRWDZBQOSA-N 443.503 5.227 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)cc1 742387108 DVLBQPKLBHNUCC-LJQANCHMSA-N 445.567 5.662 30 20 IKED CC(C)N1CCN(c2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2)CC1 747124638 ZTBXYXFSYCXTAM-HHHXNRCGSA-N 438.575 5.125 30 20 IKED N#Cc1ccc(COC(=O)CCc2ncc(-c3ccccc3Cl)o2)c(OC(F)F)c1 752535711 DLNVJTAJVNOCMG-UHFFFAOYSA-N 432.810 5.144 30 20 IKED C#CC[C@H](NC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1)c1ccccc1 757772567 LJLYHKHWNFTOES-QHCPKHFHSA-N 437.465 5.577 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cncc(-c3ccc(OC)cc3)c2)cc1 757876503 WQJIECNFIAOCMA-BXKMTCNYSA-N 427.504 5.232 30 20 IKED COc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3OCC#N)c3ccccc3n2)cc1 760797020 BGHTZAPMRTXNCV-UHFFFAOYSA-N 427.435 5.204 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(-c3ccccc3)o2)cs1 761803441 BADSXAWODHTYOE-XFXZXTDPSA-N 448.931 6.637 30 20 IKED COc1ccc(-c2ccc(/C=C\C(=O)c3cc(Br)ncc3F)o2)c([N+](=O)[O-])c1 762423022 CZGYYMRIMRLOEK-UTCJRWHESA-N 447.216 5.056 30 20 IKED O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1cc(Br)ncc1F 762428193 WXDCZCKTQUDHIT-CMDGGOBGSA-N 449.283 5.127 30 20 IKED N#C[C@@H](C(=O)CN1CC=C(c2ccccc2C(F)(F)F)CC1)c1nc2ccccc2s1 763685016 SKHMINCDSDQPJK-KRWDZBQOSA-N 441.478 5.281 30 20 IKED N#Cc1cc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c(Cl)c([N+](=O)[O-])c1 764302462 UJNVGFYGRCGTTM-UHFFFAOYSA-N 434.864 5.395 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)c1nnc(-c2cccc(C)c2)o1 765334492 RDYKHCFWJOMGOD-KRWDZBQOSA-N 433.537 5.255 30 20 IKED Cc1ccc(Cn2nc(C)c(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)c2Cl)cc1 768173186 BNDNSJBLQBQMKP-GOSISDBHSA-N 446.860 5.215 30 20 IKED COc1cc(/C=C/C(=O)c2occc2C)ccc1OCC(=O)Nc1ccccc1Cl 769784027 NHCYHBHBXDITNK-VQHVLOKHSA-N 425.868 5.164 30 20 IKED COc1ccc(CN(C(=O)NCc2cc(C#N)ccc2F)[C@@H]2CCCC[C@H]2C)cc1OC 772493377 NNRCLSVZYRHRGJ-VGOFRKELSA-N 439.531 5.005 30 20 IKED CCCc1c(NC(=O)NCc2cccc(O[C@H](C#N)CC)c2)cnn1-c1cccc(C)c1 772669675 RENNOMWKXWEGDM-NRFANRHFSA-N 431.540 5.136 30 20 IKED CCO[C@@H]1C[C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)[C@H]1Oc1ccccc1 776473560 BRSFRXBCACXVAG-QEGGNFSNSA-N 441.531 5.089 30 20 IKED N#CCc1ccccc1CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCC2 776908951 IYNROAPLWXCNQD-UHFFFAOYSA-N 429.570 5.761 30 20 IKED CCCOc1c(Cl)cc(/C=C2\CN(C(C)=O)Cc3ccccc3C2=O)cc1OCC 778520300 SIBFGJMMFPNSIF-YBFXNURJSA-N 427.928 5.156 30 20 IKED COc1ccc([C@H](NC(=O)Nc2ccccc2O[C@H](C)C#N)c2ccccc2Cl)cc1 780681859 QXKXIRJRIGDECK-MWTRTKDXSA-N 435.911 5.551 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3ccc(SC(F)F)cc3)c2)cc1 784425813 XUSNSWNSSCMRAS-UHFFFAOYSA-N 439.443 5.242 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)c1sccc1Br)c1ccc(Cl)cc1Cl 787049240 GLFDEWSYQJLMTP-KWQFWETISA-N 446.153 5.017 30 20 IKED COc1cccc([C@H](C)CCCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 789410547 XYFJQONTQKOLBQ-VGSWGCGISA-N 429.545 5.841 30 20 IKED N#C[C@@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1cnc2ccccc2n1 792107666 GYOCGOSZENAFFD-OAQYLSRUSA-N 434.474 5.726 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(CCC(F)(F)F)Cc2ccccc2)cc1 792228618 MTEACYXDDMFVAX-QHCPKHFHSA-N 437.465 6.329 30 20 IKED Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)OCCCC1(C#N)CCOCC1 800080441 BFHLUHYTMIBPFK-UHFFFAOYSA-N 429.520 5.105 30 20 IKED C[C@@H](Cc1ccccc1C(F)(F)F)N(C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 805772206 GUJWAJCVJGPRPD-GOEBONIOSA-N 431.483 5.054 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 806244666 IPQPGMHKJVAXPO-UHFFFAOYSA-N 449.624 5.698 30 20 IKED C#C[C@@H](NC(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1)c1ccc(Cl)cc1F 806272692 JDHBENNNJWWQMP-RCRUUEGKSA-N 440.927 5.283 30 20 IKED COc1cc(/C=C/C(=O)c2cc(Br)ccc2F)cc(OC)c1OCC(F)F 809157987 PKARYAOGEXGVSY-ZZXKWVIFSA-N 445.231 5.145 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2nccc3ccccc23)cs1)c1ccc(F)cc1F 811699410 QVGWNWVDQANZFP-CLFYSBASSA-N 435.455 5.550 30 20 IKED CC(=NNc1nc(C)nc2sc3c(c12)CCCC3)c1nc2ccccc2n1C(F)F 812393587 PVGQOQQHNNRUDL-UHFFFAOYSA-N 426.496 5.459 30 20 IKED CN(CCC#N)c1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc1 814286967 ACVHOIYNIMNPQQ-CJLVFECKSA-N 429.570 5.595 30 20 IKED CC(C)(C)OC(=O)Nc1cc2c(cc1NCc1cc(C#N)ccc1Br)OCO2 864018111 RXXBIBYBFZZING-UHFFFAOYSA-N 446.301 5.009 30 20 IKED C=CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 913359469 OBGLULNZBBSDHK-LBPRGKRZSA-N 427.806 5.108 30 20 IKED CC(C)C(=O)Nc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915350556 YEYYLXSNPDLBTH-DEOSSOPVSA-N 426.520 5.258 30 20 IKED C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 915496474 GIFCUROZUGSBFX-CQSZACIVSA-N 445.302 5.055 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C2CC2)cc1 916211316 CJFNEBREWMMWAW-LJQANCHMSA-N 427.957 5.080 30 20 IKED N#C[C@@H](C(=O)CSc1nnc(-c2cccs2)n1Cc1ccccc1)c1ccccc1 916622741 JWIKKVUCGOQVMO-LJQANCHMSA-N 430.558 5.023 30 20 IKED Cc1ccc(Cl)c(OCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 916907575 YRZNCSPHOSKFFK-SFHVURJKSA-N 434.879 5.167 30 20 IKED CCc1ccccc1N1C[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1=O 916975673 DFGCXOWOZVSXRC-MJGOQNOKSA-N 449.963 5.255 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCOc2ccccc2Br)cc1 917668787 GNYVFVIADCWOFB-HXUWFJFHSA-N 435.321 5.512 30 20 IKED N#C[C@@H](C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)c1nc(-c2ccncc2)cs1 920267414 IMRYEGWCXHYNHK-FZMUQLTDSA-N 447.972 6.477 30 20 IKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCC(F)(F)C4)cc3)CCC2)c1 1785804001 DFLFLTLNWVYDCZ-SFHVURJKSA-N 437.490 5.050 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C(F)(F)F)c3)CCC2)cc1 1785937022 LLCPSDXSXNUJHE-UHFFFAOYSA-N 429.442 5.003 30 20 IKED Cc1ncc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)s1 1788867115 QFBZKOUNRXCPTH-INIZCTEOSA-N 444.560 5.140 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCCC3(F)F)CCC2)cc1 1791298953 IXGRMKAUATVWPI-QGZVFWFLSA-N 426.454 5.157 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cccc(OCC)c3)CCC2)cc1 1791300407 FMALRCIBXSZZAW-UHFFFAOYSA-N 428.479 5.044 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)C[C@H]3OCCc4ccccc43)CCC2)cc1 1791726221 IOOQDEDOLFYYMU-RUZDIDTESA-N 444.575 5.018 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C(C)(C)C)s3)n[nH]2)C1 1818341042 FIIMYESVPJYJAG-QGZVFWFLSA-N 426.586 5.041 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(C)c(C)c2)[nH]n1 1819302987 PPIBCKQCQWBDNZ-JTHBVZDNSA-N 434.584 5.030 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(Cl)c2)n[nH]1 1820499496 UZNICFAFNPBBRH-UYAOXDASSA-N 426.948 5.137 30 20 IKED CC(C)c1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)cc1 1820595889 YIDCAXHQCIPWRJ-HSZRJFAPSA-N 441.535 5.024 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C(F)(F)F)CCC2)CC1 1826759701 AHSIEPDRTDLFDA-FQEVSTJZSA-N 440.550 5.107 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)nc(CC)c2)CC1 1827924902 OEKMTRRECIMRFC-XMMPIXPASA-N 439.644 5.178 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3sccc3[nH]2)CC1 1828712072 RAJXSXYUJPGIMU-NRFANRHFSA-N 441.641 5.455 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)CC1 1829904353 USFUPVGXRXOTHU-JXFKEZNVSA-N 437.411 5.439 30 20 IKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)CC1 1830423773 XXFPMJXECGCHRO-NZQKXSOJSA-N 447.664 5.014 30 20 IKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c4c(Cl)cccc34)CC2)C1 1830992667 QPSLEIUBXBFVNJ-JOCHJYFZSA-N 439.987 5.021 30 20 IKED C=CCn1c(SCC(=O)c2ccc(NC(=O)CC(C)C)cc2)nnc1-c1ccccc1 9447617 ZHNSISKBBMHERM-UHFFFAOYSA-N 434.565 5.091 30 20 IKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2)[n+]2ccc3c(c2)CCCC3)cc1 10829767 IMHDVKMSABDRQS-UHFFFAOYSA-O 447.599 6.166 30 20 IKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2cccc(CO)c2)cc1 10832692 CTFZPDGHQDNGOJ-UHFFFAOYSA-O 439.988 5.294 30 20 IKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(OCc2ccccc2C#N)cc1 32343170 JZTYBTZNHRAASP-KRWDZBQOSA-N 427.529 5.580 30 20 IKED C=CCn1c(SCc2cc([N+](=O)[O-])ccc2OC(C)C)nnc1-c1ccccc1OC 78443307 ZSWZUIUQBGZLKW-UHFFFAOYSA-N 440.525 5.127 30 20 IKED Cc1nn(C)c2ncc(/C=C/C(=O)c3ccc(-c4ccccc4Br)s3)cc12 303083626 AKWBCVJYMRVRKC-BQYQJAHWSA-N 438.350 5.664 30 20 IKED C[C@@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cc2ccccc2s1 410295947 FXEOSJPGWRDIML-OAHLLOKOSA-N 446.532 5.115 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 426084605 LPTNCLQCGCMDAV-UHFFFAOYSA-N 442.475 5.764 30 20 IKED C=CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1)c1ccccc1 426642087 FBMUCENYQAPBKC-HXUWFJFHSA-N 442.487 5.064 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3ccc(OC)cc3)no2)nnc1-c1ccccc1C 428339016 AOZOXJDJDRTVOV-INIZCTEOSA-N 433.537 5.351 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccn(C4CCCC4)n3)cc2Cl)c1 431857142 KSKKOCPAIYCLDJ-UHFFFAOYSA-N 449.942 5.424 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1cc(F)ccc1Br 434008884 SDWRBIJRTRNWPP-UHFFFAOYSA-N 440.272 5.137 30 20 IKED Cc1cn(C2CCCCC2)nc1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 434141837 AKCUCCHSZHLTLI-UHFFFAOYSA-N 447.514 5.931 30 20 IKED CCO[C@@H](C)c1nc(CC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cs1 437460030 LCUISHVWDPTGHB-AWEZNQCLSA-N 425.485 5.225 30 20 IKED CCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H](Cc1ccc(F)cc1)C(C)C 438046745 YEJIPGMOBLHPSD-AVRDEDQJSA-N 427.589 6.341 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C1CC1)[C@H](C)c1ccc2ccccc2c1 438052294 WYNMBVCXROWEPZ-RBUKOAKNSA-N 429.589 6.992 30 20 IKED C[C@@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)Nc1ccc(OC(F)F)cc1 439652561 TVFUUWXNVWTQBS-CQSZACIVSA-N 441.409 5.530 30 20 IKED CCCc1c(NC(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)cnn1-c1cccc(C#N)c1 439666662 IGTVPYNNWWWNHG-OAQYLSRUSA-N 431.515 5.075 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3ccoc3c2)c1 442926213 VJRNIPZJGAYYIJ-UHFFFAOYSA-N 427.485 5.288 30 20 IKED CCN1CC[C@@H](N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C[C@@H]1C 443914744 IIGXFIITWWKRKU-LAUBAEHRSA-N 440.975 5.127 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(CCO)[C@H]2CCc3ccccc32)cc1Cl 444031026 HJBJCRWCXNWBDN-ZCYQVOJMSA-N 445.950 5.509 30 20 IKED CC(C)CCN(CCC#N)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCOC1 461682506 FURGADZSBPMNNX-MRXNPFEDSA-N 436.387 5.055 30 20 IKED N#Cc1ccc(CNc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)c(OC(F)F)c1 464075680 MROWBOFEYKVTAL-UHFFFAOYSA-N 445.828 5.817 30 20 IKED COc1cc([C@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)cc(OC)c1OC 464919240 SCVURRUSGYTQJX-KRWDZBQOSA-N 446.503 5.176 30 20 IKED COCc1ccc([C@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)o1 467161934 PGRYEBLHPZLQFR-FYYLOGMGSA-N 449.938 6.104 30 20 IKED CC1(C)CC[C@@H](NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2ccccc21 470544919 AQBDQNZSNHTWAV-JOCHJYFZSA-N 430.552 5.204 30 20 IKED CC(C)c1nn(-c2ccccc2)cc1CNC(=O)Nc1ccccc1S[C@@H](C)CC#N 470603800 ZGELAFHNDOXKGE-SFHVURJKSA-N 433.581 5.712 30 20 IKED CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 470612429 NCUGBTDMFMGNTP-HKUYNNGSSA-N 435.877 6.190 30 20 IKED Cc1nc(NC(=O)Cc2csc3ccc(Br)cc23)sc1SCC#N 470848356 RUEKFDXOJGWZMD-UHFFFAOYSA-N 438.397 5.226 30 20 IKED Cc1ccc([C@H](NCc2nnc(-c3cccc(C#N)c3)o2)c2ccc(F)cc2Cl)cc1 471677137 NZLVGULNDKXGIN-QHCPKHFHSA-N 432.886 5.588 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 476119406 HVLOHGCHHBZPJB-UHFFFAOYSA-N 433.596 5.441 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)Cc1c(C)[nH]c2ccc(Br)cc12 476143928 KLEOBVIKRAUPGH-UHFFFAOYSA-N 425.370 6.272 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1nc(-c2ccccc2)no1 476192226 CHWSAHTYXBCTAF-JKSUJKDBSA-N 438.578 5.421 30 20 IKED CC(C)NC(=O)Nc1ccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1 479509124 IAIBCIWUASXGAE-UHFFFAOYSA-N 430.533 5.492 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 480834326 YTDBNHCDSJMKTJ-MEBBXXQBSA-N 439.375 5.115 30 20 IKED C[C@@H](NC(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1c(F)cncc1F 481325496 ZZCUUFVLAKSHTI-XLKFXECMSA-N 427.295 5.042 30 20 IKED C[C@H](NC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F)c1nc2ccccc2n1C(F)F 482396670 BMRBCDRADRZGEZ-BJOHPYRUSA-N 448.342 5.373 30 20 IKED N#C[C@H](C(=O)c1cc2sc(N3CCCC3)nc2s1)c1nc(-c2ccccc2)cs1 483486496 OVGKZFPASIMCME-CQSZACIVSA-N 436.587 5.572 30 20 IKED Cc1c([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)oc2ccccc12 484416947 AKSRCRLXQGCDNY-QGZVFWFLSA-N 439.471 5.221 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1ccc(F)cc1)C(F)(F)F 484854663 GLQXZWYAPMCJRH-BFUOFWGJSA-N 425.451 5.052 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1coc(-c2ccc(Br)cc2F)n1 484887175 HLRUPDIUISMZIR-UHFFFAOYSA-N 442.288 5.167 30 20 IKED C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Br 485401415 UDWMEEAOFMPMQC-LLVKDONJSA-N 445.791 5.298 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)cc1 485610858 URDIULALKAKRBE-NRFANRHFSA-N 440.490 5.926 30 20 IKED N#CCCC[C@@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 487176786 NYKNAFZQCCMTKU-MRXNPFEDSA-N 437.443 5.257 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1 489935708 PNFQSJNGEJMSES-UHFFFAOYSA-N 439.515 5.549 30 20 IKED CCc1c(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cnn1CCC(C)C 494561690 CZEGJJFFLIZLFL-UHFFFAOYSA-N 444.539 5.260 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)cc1 498888792 CTQWUVLYFIKWBV-RUZDIDTESA-N 441.437 5.543 30 20 IKED COc1ccc(NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1Oc1ccc(C)nn1 499895427 OLSZOYBXBDESFW-HNNXBMFYSA-N 449.536 5.482 30 20 IKED Cc1c(C(=O)N(CCCOc2ccccc2)C2CCOCC2)sc2ccc(C#N)cc12 500279434 JUAMFLXHXVVTSW-UHFFFAOYSA-N 434.561 5.172 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1nc(-c2cccs2)oc1C 500741970 HXKPJOXOHBLWEF-UHFFFAOYSA-N 429.501 5.865 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 500745098 RFSZJKAHBLGNFO-UHFFFAOYSA-N 441.487 5.337 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)Nc3nc(C)c(SCC#N)s3)c12 504831280 MCZKARHXTCQKKR-UHFFFAOYSA-N 439.522 5.068 30 20 IKED N#C[C@H](NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1cccc(Cl)c1Cl 505307249 CJMBLBQRRGTAKZ-HNNXBMFYSA-N 439.224 5.193 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c1 507343957 ZUTBJPABJOLBOA-UHFFFAOYSA-N 439.559 5.015 30 20 IKED C=CCn1c(-c2cccc(C)n2)nnc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1 508505894 OMEWESAAJSVZEQ-UHFFFAOYSA-N 434.931 5.013 30 20 IKED Cc1sc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccc(Cl)cc2)c(C#N)c1C 508926001 URGQUFVZCGWPBM-DBVUQKKJSA-N 441.984 5.302 30 20 IKED Cc1ccc(Cc2nc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cs2)cc1 509852990 KJKFGILTXIVACZ-LJQANCHMSA-N 440.553 5.528 30 20 IKED COC(=O)c1ccc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 510057471 QEXXOOMEPUZVJW-QFIPXVFZSA-N 447.922 5.446 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(Br)cc2)cc1 511003136 TZABXPIYZVIECT-MRXNPFEDSA-N 442.357 5.146 30 20 IKED CN(Cc1ccccc1OC(F)(F)F)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 511567900 RIGKPTUXXZDBSZ-HNNXBMFYSA-N 438.343 5.559 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C)Sc1nc2c(c(-c3ccco3)c1C#N)CCC2 512768019 XSOHGPRVUQZVOV-HNNXBMFYSA-N 433.533 5.220 30 20 IKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)[C@@H](C#N)c3nc4ccccc4n3C)o2)cc1 513653087 DDRGSVKGDVNXGL-OAQYLSRUSA-N 432.483 5.694 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 516009120 JHSHQUYHXWOCAK-IBGZPJMESA-N 438.421 5.017 30 20 IKED C[C@H]1CCCN(Cc2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cc2)C1 518901941 DOWGDNQSEFDLJW-IBGZPJMESA-N 426.520 5.230 30 20 IKED Cn1ccnc1[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(F)cc1 519989532 YCTJNIUVWJAXRK-HSZRJFAPSA-N 441.466 5.134 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](C(=O)c4ccc(F)cc4)C3)cc2)cc1 523422661 VDYZWCAMVUAKTL-FQEVSTJZSA-N 443.478 5.616 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccccc2C#N)nc1-c1ccccc1 525329843 FDIZICLSHVEVQY-NQIIRXRSSA-N 429.520 5.468 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1 532034560 ROBGZZSVRPCFDP-KRWDZBQOSA-N 434.989 5.023 30 20 IKED COCc1nc(C)c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1 535404300 IHYAGVKNDKVYSO-LBPRGKRZSA-N 438.361 5.518 30 20 IKED CCOC(=O)c1ccc(C#N)c(SCc2coc(-c3ccc(C(F)(F)F)cc3)n2)n1 535924232 SBARIKQGNUHQIY-UHFFFAOYSA-N 433.411 5.096 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1(c2ccc(F)cc2F)CCOCC1 536333835 SENWBGBFDBDRIP-HNNXBMFYSA-N 431.508 5.186 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1Cl 536383112 OBTBDOIXQINYBQ-UHFFFAOYSA-N 445.906 5.492 30 20 IKED N#CC1(c2ccc(C(=O)N3CCCC[C@@H]3C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)CC1 537432825 BKTZUCOFWSEYEK-HXUWFJFHSA-N 442.346 5.182 30 20 IKED C=CCCC[C@@H](C)NC(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1 538347689 QVFDNGUDTVFYHM-RHSMWYFYSA-N 431.968 5.219 30 20 IKED N#Cc1ccc(CSCC(=O)N(c2ccccc2)c2ncccc2Br)cc1 539175278 ZQVPKTWBBRHWCD-UHFFFAOYSA-N 438.350 5.314 30 20 IKED CC(C)C(=O)N(C)Cc1ccc(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 541069869 SJSPXNMEAHVVLH-HXUWFJFHSA-N 439.559 5.331 30 20 IKED C[C@@H]1C[C@@H](C(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CCO1 541229018 IHXYTTDIDXYMIP-ZDMBXUJBSA-N 437.302 5.259 30 20 IKED CCc1noc(C)c1CN[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 543051340 DTCNCWPOVNGDJT-AWEZNQCLSA-N 434.302 5.976 30 20 IKED C[C@H](NC(=O)Nc1cccc(C(=O)N2CCCC2)c1)c1ccc(-c2cccc(C#N)c2)cc1 543852413 UFUFBKNRJPGABN-IBGZPJMESA-N 438.531 5.344 30 20 IKED C[C@@H](NC(=O)C1(OCc2ccccc2)CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 543856091 IEQOWUCROSHCHN-OAQYLSRUSA-N 440.543 5.168 30 20 IKED COc1cc(Br)ccc1CCC(=O)Nc1ccccc1S[C@H](C)CC#N 543899650 HSNJVROZXCPSHC-CQSZACIVSA-N 433.371 5.423 30 20 IKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCC(C#N)(c4ccccn4)CC3)o2)cc1 548841138 QGUCRDYFXKWFSY-UHFFFAOYSA-N 448.526 5.410 30 20 IKED N#Cc1ccc(N2CCC(NCc3nc4c(s3)C[C@H](c3ccccc3)CC4)CC2)cc1 560551861 GUOIMEKXMPKSPJ-OAQYLSRUSA-N 428.605 5.046 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CC4(CCC4)[C@H]3C3CC3)s2)c(C(F)(F)F)c1 576269367 APXWCJPNVNBCSV-GOSISDBHSA-N 446.498 5.421 30 20 IKED C=CCn1c(-c2cccc(OC)c2OC)nnc1N(C)[C@H](C)c1sc(C(C)C)nc1C 581279358 ZBMPUCGOHXDFLG-MRXNPFEDSA-N 441.601 5.234 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1F 581622786 ZTFKPYFVAHBENX-UHFFFAOYSA-N 445.328 5.669 30 20 IKED CC[C@@H](C)n1ncc2c(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cc(C)nc21 587988764 OIVQMRJSRRKXBI-APWZRJJASA-N 429.549 5.633 30 20 IKED N#C[C@H](C(=O)c1cnc(Cc2ccc(F)cc2)s1)c1nc2cc(Cl)ccc2s1 589244798 GOWSCPPOFQKVIA-CQSZACIVSA-N 427.913 5.626 30 20 IKED N#C[C@H](C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1nc2cc(F)ccc2s1 592974057 NCUDVLAOXNBULF-LJQANCHMSA-N 425.488 5.928 30 20 IKED CSc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1NC(C)=O 603779022 MTSSJWUEHOFGFQ-HNNXBMFYSA-N 441.622 5.703 30 20 IKED CC1(C)CN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)[C@@H]1c1ccccc1 604363023 XGHRKIFEDFAGHT-GOSISDBHSA-N 435.578 5.317 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccccc1N1CCCC1 604365132 YWCLXSKGIYSWPI-UHFFFAOYSA-N 426.520 5.581 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C)c(NC(=O)NC(C)(C)C)c3)n2)cc1 607274838 SBOQHDNNZHPXGN-IBGZPJMESA-N 446.576 5.837 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F 608945430 MULMSUYTKZOHDD-NRFANRHFSA-N 432.490 5.119 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(C(=O)OC(C)(C)C)CC1 609207509 BGXPPHPJTRXHKC-UHFFFAOYSA-N 449.551 5.031 30 20 IKED C[C@@H]1CCCCN1Cc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 609501399 MTXKSXRZYXYTDA-LJQANCHMSA-N 426.520 5.372 30 20 IKED CC(C)C[C@H](C)Oc1cc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)ccn1 609555635 YIASEMPQYBAVJY-MSOLQXFVSA-N 426.586 5.468 30 20 IKED Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)C1CCC(C)CC1 609579179 RPRHAVXOTJIFKF-SCPLRKQGSA-N 449.620 5.623 30 20 IKED COc1cc(Cn2cc(C(F)(F)F)cc(Cl)c2=O)ccc1OCc1cccc(C#N)c1 609722042 YKJATOPDBTZNDE-UHFFFAOYSA-N 448.828 5.028 30 20 IKED N#C[C@H](C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1nc(-c2ccccc2)cs1 613392532 SAUCYLNAHJMNLN-LJQANCHMSA-N 428.492 5.114 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N(Cc2ccccc2)C(C)C)nnc1-c1ccc(F)cc1 619095272 BWXRYIMXXWAJFB-GOSISDBHSA-N 438.572 5.188 30 20 IKED COCCCC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccccc1 619312279 MJEBXZTWBOIXPE-HSZRJFAPSA-N 430.508 5.425 30 20 IKED CN1[C@H]2CC[C@H]1CC([C@@H](NC(=O)N[C@@H]1CCc3cc(C#N)ccc31)c1ccc(Cl)cc1)C2 619803435 JZPWQQKGMQITAM-HFOXQMJASA-N 448.998 5.112 30 20 IKED O=C(CCCOc1ccc(F)cc1F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 620691940 GOVRADXGIMYSQB-GHMZBOCLSA-N 433.339 5.150 30 20 IKED N#C[C@H](C(=O)c1cc(Br)cs1)c1nc2cc(C(F)(F)F)ccc2s1 620847278 GKQRPZXBAUHJHE-SECBINFHSA-N 431.258 5.629 30 20 IKED C=CCN(C(=O)c1cc(C(C)C)oc1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 673443839 ZZUALHXQPUMMML-UHFFFAOYSA-N 444.578 5.071 30 20 IKED O=C(Nc1cccc(CCC(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 674697692 UKZLSNBQFWXOAV-TXEJJXNPSA-N 436.318 5.776 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)ccc1NC(=O)c1cccs1 677564509 QGMPJUFSSIMFPK-HNNXBMFYSA-N 435.505 5.548 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(C)nc2ccc(Br)cc12 726755926 OAUJTIVVEITRLI-UHFFFAOYSA-N 445.320 5.055 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=S)NC3CCN(Cc4ccccc4)CC3)c2)cc1 729157839 DLGQSIQCIAFRJI-UHFFFAOYSA-N 442.588 5.302 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)cc1OC 730499845 ISQMIUBAIYUUSD-LLLGYDHXSA-N 432.520 5.207 30 20 IKED C[C@H](Oc1ccccc1Br)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 732901449 SCNZBJSIWGAHEN-CMPLNLGQSA-N 435.730 5.356 30 20 IKED N#C[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)cc1F)c1ccccc1Br 733265907 BZKOFTBJTBTAGH-HXUWFJFHSA-N 427.248 5.389 30 20 IKED COc1cc(C(=O)/C=C\c2cc3c(cc2OC(F)F)OCO3)ccc1SC(F)F 741845099 VUAMNTBRESUFEH-RQOWECAXSA-N 430.375 5.236 30 20 IKED Cc1ccc(CCN(CC(=O)[C@H](C#N)c2nc3ccccc3s2)Cc2ccco2)cc1 742219537 AYJTUZZZKAJULS-NRFANRHFSA-N 429.545 5.119 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc3c(c2)COC3)ccc1OCC(=O)Nc1ccccc1 742437586 VNCXPJGXCVIYGX-XYOKQWHBSA-N 443.499 5.029 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 742577308 XLKGOFRSTKVVAI-HTAPYJJXSA-N 437.540 5.186 30 20 IKED C[C@@H](NC(=O)c1ccccc1NC(=O)c1cccc(Br)c1)c1cccc(C#N)c1 743775072 HWGHYCRMJGBFLR-OAHLLOKOSA-N 448.320 5.064 30 20 IKED CCCOc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 744073681 FMMHEQICMNEFFE-QGZVFWFLSA-N 426.488 5.686 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3ccc(COc4ccc(Cl)cc4)cc3)o2)cc1 744521847 YPSZGTQOTLFBME-UHFFFAOYSA-N 445.862 5.198 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)c2nc(-c3ccccc3)no2)cc1C 744871485 RVHPKTODZMJHAS-GOSISDBHSA-N 441.491 5.049 30 20 IKED CC(=O)c1cccc(O[C@@H](C)C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)c1 745229366 BLJWXOYPIVUTMO-NRFANRHFSA-N 427.500 5.100 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ncc(-c3ccc(OC)cc3)o2)cc1 746416378 LNFRCINFDIHAPG-JTSKRJEESA-N 445.519 5.144 30 20 IKED C=CCn1c(-c2cccc(C)c2)nn(CN(C)Cc2ccc(SC)c(OC)c2)c1=S 746715609 VMHUDPKIJKWQDS-UHFFFAOYSA-N 440.638 5.396 30 20 IKED C[C@H](OC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc2c(c1)CC(=O)N2 748514103 ZZWCQQJPZCLGDT-INIZCTEOSA-N 428.513 5.263 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(Cn3nc(C)cc3C)c2)cc1 749047130 CTPBESZVLZNOAI-BXKMTCNYSA-N 428.536 5.023 30 20 IKED CCOc1cc(/C=C\C(=O)c2cc3c(s2)SCC(=O)N3)ccc1OCC(F)(F)F 758063582 YAWGCKDKXMPCSL-HYXAFXHYSA-N 443.468 5.028 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(OC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1 759530901 ODLLIMVOCKPZSX-UHFFFAOYSA-N 432.480 5.030 30 20 IKED N#Cc1ccc(CSCC(=O)O[C@@H](c2cccnc2)c2cccc(C(F)(F)F)c2)cc1 759593352 YQRBOCQYPCLPQJ-JOCHJYFZSA-N 442.462 5.538 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C/c3nc4ccc(F)cc4s3)SC2=S)cc1Cl 760986388 AHVGYTUPHQCXDE-CHHVJCJISA-N 431.926 5.366 30 20 IKED C[C@H](OC(=O)CSc1ccc(C#N)cc1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 761147069 PCZZITWDZFSCRV-NSHDSACASA-N 434.304 5.312 30 20 IKED CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 761620146 UFVVZOHJMPOGGX-CVDCTZTESA-N 433.552 5.318 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1 762412195 FZAOQVLGYFNSMK-IBGZPJMESA-N 442.462 5.192 30 20 IKED N#Cc1cc(NC(=O)CCSc2ccc(Br)cc2)c(Cl)c([N+](=O)[O-])c1 764306965 NMIJJSILILOGCS-UHFFFAOYSA-N 440.706 5.003 30 20 IKED N#CCN(Cn1nc(-c2cccc(Cl)c2)n(Cc2ccco2)c1=S)C1CCCC1 765008419 BXRJBSBJXIJRPT-UHFFFAOYSA-N 427.961 5.101 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1-c1cccc(OC)c1 765358124 HUQSRRINOMOJSC-MRXNPFEDSA-N 433.537 5.351 30 20 IKED COc1cccc([C@@H](C#N)NC(=O)[C@@H](Sc2ccccc2F)c2ccccc2)c1OC 768157804 UMGQNUVZHQMLAO-XXBNENTESA-N 436.508 5.057 30 20 IKED C=CCn1c(-c2cccs2)nn(CN2CCC(OCc3ccccc3F)CC2)c1=S 768470170 DYJFHPFRIQQYSR-UHFFFAOYSA-N 444.601 5.106 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(N2C(=O)N[C@@H](C[C@H]3CCCc4ccccc43)C2=O)cc1 771906490 RNFLTVOESWMBFC-RCXJIHSJSA-N 435.527 5.277 30 20 IKED C=C(C)[C@@H](NC(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1)c1ccc(F)c(F)c1 776183303 SZTGDBHVSJWJQH-JTHBVZDNSA-N 426.463 5.120 30 20 IKED N#Cc1ccc(N2CCC[C@@H]2C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 777304183 MSQFCXFXWDCMNF-SJLPKXTDSA-N 440.450 5.032 30 20 IKED CC[C@@H](C)c1ccc(-c2cc(C(=O)[C@H](C#N)C(=O)c3nccn3C)c3ccccc3n2)cc1 780445820 SSXDFTXTVGLENX-VGSWGCGISA-N 436.515 5.354 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1 780674898 ITDIXJGWAQTQFA-SFHVURJKSA-N 449.530 5.383 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N(Cc1cc(Br)ccc1F)C1CC1 780682777 XZLKDRFRUMZLLG-CYBMUJFWSA-N 432.293 5.076 30 20 IKED N#Cc1ccc([C@H](O)C(=O)Nc2ccc(Cl)cc2-c2cccc(Cl)c2Cl)cc1 787857302 GSWCHSLCQGVNFT-FQEVSTJZSA-N 431.706 5.858 30 20 IKED Cc1ccccc1-c1noc(C)c1C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 796215459 PCQIRYFCCHXTCD-OAHLLOKOSA-N 449.532 5.006 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(F)c(C(F)(F)F)cc1F 804253028 GIPSIHZNLBWALR-UHFFFAOYSA-N 433.336 5.603 30 20 IKED O=C(c1cc(F)c(C(F)(F)F)cc1F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 804285470 COGPVZDAHXULKQ-RNFRBKRXSA-N 429.229 5.187 30 20 IKED N#Cc1sc(Sc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)nc1Cl 804337820 BBSJOFZFMQHHSY-UHFFFAOYSA-N 431.333 5.115 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1ccccc1 814531964 XBFYEHVZJBMQFC-QHCPKHFHSA-N 442.567 5.618 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)C3(Cc4ccc(F)cc4)CCOCC3)c2)s1 815670985 TXJDNTAQKQYRSS-UHFFFAOYSA-N 434.536 5.082 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2cccs2)C(=O)N[C@@H]1c1cccc(C#N)c1 840198258 CDBIKGNPWFTVCG-JOCHJYFZSA-N 431.492 5.026 30 20 IKED CCc1ccc(N=C2NC(=O)[C@H](CC(=O)Nc3ccc(Oc4ccccc4)cc3)S2)cc1 913100016 ZMJAWXPBMOBNCX-QFIPXVFZSA-N 445.544 5.289 30 20 IKED CCCCc1oc2ccccc2c1/C=C/C(=O)[C@@H](C#N)C(=O)Nc1ccc(OC)c(OC)c1 916935596 TVPUFQXXBUGTHU-DRUFCSCSSA-N 446.503 5.153 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)c1nc2cc(Cl)ccc2s1 917044398 RQGNOFIFLFZXGX-CQSZACIVSA-N 444.368 6.146 30 20 IKED N#C[C@H](C(=O)CCC(=O)CCC(=O)c1cccs1)c1nc2cc(Cl)ccc2s1 917046817 QGKWIPUOZSGLDD-CQSZACIVSA-N 430.938 5.200 30 20 IKED COc1ccccc1-c1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)no1 918170138 QKSYHTFIDIJWSF-UHFFFAOYSA-N 439.471 5.248 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCc3nnc(-c4ccccc4)o3)n2)cc1 920138560 HDNJZOQEWQLIEG-IBGZPJMESA-N 444.516 5.068 30 20 IKED Cc1ccc(/C=C\C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(Br)c1 920142627 QYBYGFYBGPBJRO-GIFJBRJJSA-N 448.345 5.642 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3cccc4ccccc34)n2)cc1 920143624 YWRHDIMPZQLJNR-QFIPXVFZSA-N 437.524 5.870 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cnc5c(F)c(F)ccc5c4)CCC3)cc2)C1 1785810376 PMCLPXFVFZNTIF-UHFFFAOYSA-N 447.485 5.227 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccc4c3OCCO4)cc2)CCC1 1789003243 ZUKRHKRZVBPUEN-UHFFFAOYSA-N 448.563 5.198 30 20 IKED CC(C)[C@H](C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)c[nH]3)cc2)CCC1)c1ccccc1 1790143630 HNDHKEQUAOLVOL-DEOSSOPVSA-N 440.547 5.074 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CSc1c(C)cccc1C)C2 1792573987 WDEJHMIZVSADMD-WKCHPHFGSA-N 428.642 5.026 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Oc3ccccc3)cc1)C2 1798339933 HYCLZVRQGOHGKW-LNEBKTTKSA-N 444.575 5.499 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](C)c3ccc(Cl)cc3)CC2)C1 1823971763 LTQOJFFQFYBJQA-MBSDFSHPSA-N 429.004 5.029 30 20 IKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1826692488 PQMFMTCNVNHMLI-RUZDIDTESA-N 447.554 5.030 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)Nc2ccccc2)CC1 1828844066 BCLJHUURLIZSJV-ZJSXRUAMSA-N 439.644 5.099 30 20 IKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3Cl)CC2)c1 1830771060 OWIIXTQFHNOWSU-XMMPIXPASA-N 449.982 5.067 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(C)(C)C)oc2C)CC1 1831371887 ODMNGAWFXMKTGC-GCJKJVERSA-N 428.617 5.331 30 20 IKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1832633680 MMILRDHERMKXES-QFQXNSOFSA-N 443.591 5.169 30 20 IKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 1832826514 RMWOCRYHOYJPAX-HXUWFJFHSA-N 443.012 5.201 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1ccc(-c3ccc(Cl)cc3)o1)C2 1844201509 FQELTXKHSSFEOF-FQEVSTJZSA-N 438.955 5.185 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC12CN(C(=O)c1ccccc1CSc1ccccc1)C2 1845981396 UIUGRYOLZOAATQ-FQEVSTJZSA-N 434.605 5.008 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](c1ccc(Cl)cc1)C(C)C 1847532401 JKVAZUJTDUYWON-RJGXRXQPSA-N 429.004 5.050 30 20 IKED COc1ccc(-n2c(SCCC#N)nnc2-c2ccc(Br)cc2)cc1Cl 8761244 IUQPFGFVAMFZBI-UHFFFAOYSA-N 449.761 5.365 30 20 IKED CCCn1c(SCC(=O)N(CCC#N)c2ccccc2)nnc1-c1ccc(Cl)cc1 9139513 REMUPVOJXNJBNL-UHFFFAOYSA-N 439.972 5.047 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(Cl)cc2)cc1 10832380 DFBANZKQFIKCGS-UHFFFAOYSA-O 426.993 5.196 30 20 IKED Cc1ccc(C)c(N/C(S)=C(\C(=O)c2cc(C)n(C)c2C)[n+]2ccc3c(c2)CCCC3)c1 22729710 LMJKUYAEJVBHTF-UHFFFAOYSA-O 446.640 5.476 30 20 IKED C[C@@H](OC(=O)c1sc2ccccc2c1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 22926142 NLSYAGCSNAWXKQ-SNVBAGLBSA-N 430.938 5.161 30 20 IKED C=CCN(CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)Cc1ccc(Cl)s1 26813445 QDWMMPWEBUBUJC-UHFFFAOYSA-N 445.894 5.005 30 20 IKED CC(=O)c1cccc(OCCCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 58699204 WIRHSSKDQRPKAQ-UHFFFAOYSA-N 428.488 5.659 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccccc2OC)cc1 63390187 ZXVNTTLRASSLDV-UHFFFAOYSA-N 433.464 5.616 30 20 IKED C=CCn1c(SCc2csc(CC(=O)OC(C)C)n2)nnc1-c1ccc(Cl)cc1 63561258 AJOSKFJYFGOKGF-UHFFFAOYSA-N 449.001 5.027 30 20 IKED CC[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1nc(C(F)(F)F)cs1 237033436 AXQLPTMDUWSICE-LJQANCHMSA-N 431.483 5.853 30 20 IKED Cc1nc(-c2cc3c(s2)CCN(c2cc(C#N)c4cc([N+](=O)[O-])ccc4n2)C3)cs1 301962583 UAUVKRLUAGAMPB-UHFFFAOYSA-N 433.518 5.071 30 20 IKED COc1ccc(SCCC(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 303297329 YENQZXYPPVCCJS-XMMPIXPASA-N 432.545 5.137 30 20 IKED Cc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1OC(C)C 427858846 MKVKHQRJJLZSHW-UHFFFAOYSA-N 447.466 5.163 30 20 IKED CC(C)(c1ccc(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1)C(F)(F)F 429672072 CBPSKROPXSTFTP-UHFFFAOYSA-N 446.473 5.305 30 20 IKED N#Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)c(Cl)c1 430357880 SWITWOUFUVIIQE-UHFFFAOYSA-N 432.842 5.684 30 20 IKED CC(C)(C)CC(C)(C)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 434444469 JLYFXRCYGTXSOD-IBGZPJMESA-N 425.960 5.265 30 20 IKED C=CCC[C@H](NC(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1)c1ccccc1 435759422 HUHYHLIBXMVFHJ-DVECYGJZSA-N 428.536 5.402 30 20 IKED C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 437465000 DEQKYUBNDAMLOG-QRWLVFNGSA-N 429.451 5.336 30 20 IKED COc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cn2)cc1 438419908 QNBQGAVXAJFUFS-XZOQPEGZSA-N 428.492 5.186 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)cc1F 438667257 KCYLJTSCFPTXEM-DNQXCXABSA-N 431.467 5.531 30 20 IKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccc(Cl)cc1 442123090 YCSZRIMYQQBVNX-IBGZPJMESA-N 429.973 5.188 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)c3[nH]ccc3-c3c(Cl)cccc3Cl)CCO2)c1 442637939 MQNRJPUDBBWRMK-IBGZPJMESA-N 426.303 5.074 30 20 IKED C=CCN(C(=O)[C@H]1SCCc2ccccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 443814009 GFABDRDLRSHXIQ-FQEVSTJZSA-N 437.546 5.268 30 20 IKED COC(=O)c1ccc(C(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(F)c1 444442365 WFMGYERAQPJPID-OAHLLOKOSA-N 437.311 5.055 30 20 IKED Cc1cc(CSc2nnc(-c3c[nH]c4ccccc34)n2C[C@@H]2CCCO2)ccc1C#N 447294905 KYMXVAPHHFMAJL-IBGZPJMESA-N 429.549 5.078 30 20 IKED Cc1ccccc1[C@@H]1CN(C(=O)c2cccc(OCc3ccccc3C#N)c2)[C@@H](C)CO1 460397581 GJRWFFZDMWKINV-FNZWTVRRSA-N 426.516 5.048 30 20 IKED Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c(C)c1 464863788 ZMYIJQLSVAEFEK-UHFFFAOYSA-N 441.531 5.295 30 20 IKED Cc1ccc(NC(=O)C[C@@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1Cl 468773607 ATUAGZGBMIONQZ-QGZVFWFLSA-N 438.959 5.061 30 20 IKED CC[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(C)(C)c1ccccc1 470542469 OJIYUTIUEIXMNA-HSZRJFAPSA-N 432.568 5.147 30 20 IKED C[C@H]1CCCc2ccccc2[C@H]1NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470547516 RXQIPSXQKWACMQ-BVZFJXPGSA-N 430.552 5.105 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC(C)(C)c1nc2ccccc2n1C 473654877 VAPKGPAHJORVPV-UHFFFAOYSA-N 439.519 5.603 30 20 IKED CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)C[C@@H](CC#N)c1ccccc1 474871465 XATPMESBMDZCGP-QGZVFWFLSA-N 432.351 5.258 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ncccc2Br)cc1Cl 474902427 UPTPVVYMUOBUMH-MRXNPFEDSA-N 426.701 5.405 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1ccc(OC)c(Br)c1 476874177 QBFYPTXHFFFBJK-INIZCTEOSA-N 449.393 5.084 30 20 IKED CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 478480249 CNZIGBULGCKCGG-UHFFFAOYSA-N 429.501 5.044 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N(C)c1cc(Cl)ccc1C#N 479574931 NZYRCUYUQCRVFK-UHFFFAOYSA-N 427.888 5.250 30 20 IKED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H](c2cccc(Cl)c2)C2CCCC2)cc1 480998623 MQNZSBHYUPQEIB-YCRPNKLZSA-N 445.972 5.079 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 481600494 VPDMEBMLBIEWGE-UHFFFAOYSA-N 426.451 5.702 30 20 IKED N#C[C@H](C(=O)c1ccc2nc(-c3ccccc3)oc2c1)c1nc2ccccc2n1C(F)F 483487828 GPGRMZQKJGLHKL-MRXNPFEDSA-N 428.398 5.730 30 20 IKED Cc1csc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1Br 485778761 AQKSRIMDULMFEJ-UHFFFAOYSA-N 427.323 5.522 30 20 IKED O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CCCOCC1 486159781 QVYAAYDOHNRMDJ-RNCFNFMXSA-N 437.302 5.261 30 20 IKED CC(C)(C)OC(=O)c1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)c(F)c1 490911016 LZSPKXZLGGTGTG-UHFFFAOYSA-N 436.439 5.077 30 20 IKED COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)cc1OCCCC#N 493886282 SGIKIVZUWIHIRK-AREMUKBSSA-N 441.531 5.453 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl 502365570 LHCYUUGVUVRCOF-XMMPIXPASA-N 438.934 5.045 30 20 IKED CCCN(CCC)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1 502506538 DZKSGUKFDMBNSJ-UHFFFAOYSA-N 425.532 5.740 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Nc3cccc(COCc4ccco4)c3)cc2)cc1 502599138 ASEHSXLPBPORJF-UHFFFAOYSA-N 439.471 6.304 30 20 IKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 506175111 KEBXDRVOLPASNH-VWLOTQADSA-N 446.982 5.074 30 20 IKED C=CCN(C(=O)CCc1ccc(F)cc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 507058311 LZXVVUYHPLBCGS-UHFFFAOYSA-N 429.448 5.148 30 20 IKED COc1cccc(OC)c1Oc1ccc(CNC2CCC(C#N)(c3ccccc3)CC2)cn1 507651911 GXPYQTJLGSXVGG-UHFFFAOYSA-N 443.547 5.385 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCOc2cccc(Cl)c2Cl)cc1 508143354 OFVYJBULAHLWND-UHFFFAOYSA-N 433.335 5.215 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1COc1ccccc1 508382173 KUUNFFVHWQWGBA-UHFFFAOYSA-N 435.483 5.885 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCc4[nH]c5ccc(Cl)cc5c4C3)s2)cc1 509648128 HHDVZBUFVACTIF-UHFFFAOYSA-N 447.951 5.330 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCC2(c3ccccc3)CCC2)cc1 511392568 WPLFVSCVNKXNNL-UHFFFAOYSA-N 425.532 5.575 30 20 IKED CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 511421046 JGXQHBVLKLFALD-GOSISDBHSA-N 442.519 5.173 30 20 IKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)o2)cc1 513142766 HHAWLPKQHYIGJK-HXUWFJFHSA-N 447.416 6.221 30 20 IKED CCCC(=O)Nc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 513878885 VJKLBXPWAZTGJS-UHFFFAOYSA-N 444.510 5.670 30 20 IKED COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)[C@@H](C#N)c2nc3ccccc3o2)c1 515597300 IFNDOHFFHPWVGR-OAQYLSRUSA-N 448.482 5.238 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccc(F)cc4)n3)n2)cc1 518516473 FQSALFFQCJEPBT-QGZVFWFLSA-N 435.505 5.571 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1NC(=O)c1ccccc1F 518739089 MZMAZWVJSQHSJU-KRWDZBQOSA-N 447.535 6.033 30 20 IKED Cc1ccc(NC(=O)NC(=O)[C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(C)c1 519065583 VIBDJSDDRNHJSV-GOSISDBHSA-N 428.492 5.116 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(-c4cn5c(n4)CCCC5)cc3)cc2)nc1 521090337 HMUJSPADPLSHOF-UHFFFAOYSA-N 435.487 5.198 30 20 IKED C[C@H]1Sc2ccc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2NC1=O 521261610 WBOHPNPCGMQAMS-PWSUYJOCSA-N 441.484 5.011 30 20 IKED Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cccc(OCc2ccccc2C#N)c1 521331394 CVUPFQKYZGYFGS-XDHOZWIPSA-N 439.540 5.470 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1 521665666 KIKKILYIKGKMCB-UHFFFAOYSA-N 431.539 5.839 30 20 IKED CC(C)Oc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 522329537 QKKONLCEJOSCLJ-UHFFFAOYSA-N 431.511 5.397 30 20 IKED CC[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nnc2n1CCCCC2 522648825 FJAJMCAFIYGNDU-HXUWFJFHSA-N 449.942 5.203 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCCOc2ccccc21 523367371 JPCQHILRMMSUGG-LJQANCHMSA-N 433.321 5.200 30 20 IKED CN1CCC[C@H](CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@H]1c1cccs1 524645300 MNKDSKCOHVXBQS-KOSHJBKYSA-N 449.551 5.364 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 525134571 FUYIJAZVEOBIFP-UHFFFAOYSA-N 430.295 5.256 30 20 IKED N#Cc1cccc(CC(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)c1 531389706 YRCWFRYQBPTACH-UHFFFAOYSA-N 441.384 5.150 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(Oc2ccccc2Cl)CC1 532818227 FUHUXPFHBXDBTC-INIZCTEOSA-N 429.973 5.810 30 20 IKED CCC(CC)CN(CCC#N)Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1 533759237 XSNGVSNRPHNPMW-UHFFFAOYSA-N 447.048 6.250 30 20 IKED Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 534453973 ZMIZMYFMEDRIGZ-OAHLLOKOSA-N 439.610 5.719 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@H](C)c2ccc(-c3cccnc3)cc2)n(C2CCCC2)c1C 538232114 PPRXTXHVKJRCPB-LJQANCHMSA-N 441.579 5.443 30 20 IKED Cc1ccc(NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)c(OCC(F)(F)F)c1 538297305 VAKRSFDRJPHPHK-UHFFFAOYSA-N 441.299 5.391 30 20 IKED CCOCCCC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 541226980 GDEQUCFPEBQCMM-CYBMUJFWSA-N 425.291 5.261 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 541969800 LIXKNIBSJMDIHD-KXBFYZLASA-N 449.498 5.705 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnc(OCC2CC2)c(Cl)c1 544084458 IGJYEWFZYCUOOR-UHFFFAOYSA-N 434.883 5.144 30 20 IKED CCN(CC)Cc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 547756490 JECXCQWPQGIJLI-UHFFFAOYSA-N 427.548 5.426 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccc(F)cc4F)C3)cc2)c1 548323947 YQPGGNDDBAKMMR-HSZRJFAPSA-N 435.430 5.234 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cnn1C(C)(C)C 549170600 ADVXZDDEECKHEP-AWEZNQCLSA-N 433.364 5.867 30 20 IKED COc1ccc([C@@H](C)CCNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1 553028685 DFCIUKGYNKQNLW-SFHVURJKSA-N 439.987 5.137 30 20 IKED CC(C)(C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1cccc(C(F)(F)F)c1 553542919 OIZZGCWKCPLHLM-UHFFFAOYSA-N 434.433 5.064 30 20 IKED CCc1[nH]nc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1Br 556073304 HJMXJZIYYWCESV-HNNXBMFYSA-N 443.732 5.296 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)cn2)cc1 562101116 XENVQVZWDMDJBN-UHFFFAOYSA-N 446.482 5.268 30 20 IKED CSCC[C@@](C)(C#N)NC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C 563477494 YRDLDSSEONRROZ-QFIPXVFZSA-N 441.626 5.123 30 20 IKED N#CCCn1ncc(-c2nc(-c3ccc(Oc4ccccc4)nc3)no2)c1-c1ccccc1 566829432 PNHFSNMZGZMAJM-UHFFFAOYSA-N 434.459 5.368 30 20 IKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cccnc1C(F)(F)F 572523469 HQHNQQKGPKPBDW-UHFFFAOYSA-N 432.242 5.156 30 20 IKED CC(C)[C@@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1cccc(C(F)(F)F)c1 581535988 JSMLQGUGCDIFGB-HXUWFJFHSA-N 430.474 5.064 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 582977147 BLJVOMXPPUCOKZ-HSZRJFAPSA-N 447.970 5.158 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc(Cl)c(F)cc3Cl)s2)cc1 583947181 COYXHIKXQIGJFA-UHFFFAOYSA-N 439.324 5.400 30 20 IKED N#CCCCn1cc(-c2nc(Cc3ccc(OCc4ccncc4)cc3)no2)c2ccccc21 584554859 BVOUPQCLZRCDCS-UHFFFAOYSA-N 449.514 5.560 30 20 IKED N#Cc1cccc(-c2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)n1 589593806 NNQUGWIUMPLQQH-UHFFFAOYSA-N 443.772 5.530 30 20 IKED N#Cc1ccc(OCC(=O)Nc2sc3c(c2-c2nc4ccccc4[nH]2)CCCC3)cc1 603451844 ALHGNZDOWVGSHT-UHFFFAOYSA-N 428.517 5.059 30 20 IKED COc1cc([C@H](C)NC(=O)c2ccc(COc3ccccc3C#N)o2)ccc1OC(C)C 603877776 UGYQIYNEFPTIFU-KRWDZBQOSA-N 434.492 5.017 30 20 IKED CN(Cc1cccc2ccccc12)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604464640 GDYSRAMRFJNRBY-UHFFFAOYSA-N 435.483 5.101 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 606761635 JPGYPUGJCPLOOT-UHFFFAOYSA-N 430.382 5.368 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N(CCc2ccccc2)Cc2ccncc2)cc1 608879357 RBSLPCBZVLESDX-UHFFFAOYSA-N 447.538 5.417 30 20 IKED COc1cc(CN(C)C(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1OC(F)F 609402857 DUOMZPLOXFJKGH-CQSZACIVSA-N 435.496 5.212 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)c(Cl)c1 611094348 GXCNMKOLYIZSNY-MUUNZHRXSA-N 435.376 5.699 30 20 IKED N#CCCn1cc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(-c2ccccc2)n1 611263603 CQJKMYFAWQJFJD-IRXDYDNUSA-N 430.396 5.026 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 613292831 YWYAEIJOKOWXHK-KRWDZBQOSA-N 437.446 6.176 30 20 IKED N#C[C@@H](C(=O)c1cnn(Cc2ccccc2Cl)c1)c1nc2cc(Cl)ccc2s1 613403422 PIMGEJPUFHEDOA-HNNXBMFYSA-N 427.316 5.338 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 618811191 UXGBRLONPYKPHY-PZJWPPBQSA-N 432.524 5.185 30 20 IKED CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 619429677 XMKVIULLXQWOOQ-JWQCQUIFSA-N 432.564 5.050 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H](C)c2ccccc2C(F)(F)F)cc1OC 619775790 WJGZOEVZPXGPMD-ZDUSSCGKSA-N 444.291 5.892 30 20 IKED CN1[C@H]2CC[C@H]1CC([C@@H](NC(=O)N[C@H]1CCc3cc(C#N)ccc31)c1ccc(Cl)cc1)C2 619803451 JZPWQQKGMQITAM-TWVZQSRDSA-N 448.998 5.112 30 20 IKED C=CCN(C(=O)[C@@H](C)c1c(C)noc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 624066802 IEZZWZGUSURICE-NSHDSACASA-N 436.364 6.044 30 20 IKED O=C(NCc1cccc(C(F)(F)F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642620012 GMFYGDSGOMOVFI-ITGUQSILSA-N 436.318 5.414 30 20 IKED C=CCn1c(S[C@H](C)c2nc3ccccc3n2C(F)F)nc2sc(C)c(C)c2c1=O 648067062 NXHYUOVRYHAQEM-CYBMUJFWSA-N 446.548 5.859 30 20 IKED O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674564601 ITGVGXUPFKGCRJ-NXEZZACHSA-N 444.244 5.545 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(C)CCc2cccc3ccccc23)c1=S 725776658 KZAJRJTXONKPHP-UHFFFAOYSA-N 444.604 5.561 30 20 IKED CC[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccccc1OC 726095705 UOGMAGJSKBXIHN-XMMPIXPASA-N 431.511 5.569 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)c3c(Cl)cccc3Cl)n2)cc1 726325308 NJWIBKFZXAXTSI-WFASDCNBSA-N 431.344 6.105 30 20 IKED C=CCOc1ccc(/C=C(\Cl)c2nc(O)c3ccc(C(=O)OC)cc3n2)cc1Cl 727264896 ZKMCYYNAHCSFJN-YBEGLDIGSA-N 431.275 5.077 30 20 IKED N#Cc1ccc(N2CCC(NC(=O)/C=C/c3ccc(-c4ccccc4Cl)s3)CC2)nc1 727341791 BBTUNBUSSDEVEE-JXMROGBWSA-N 448.979 5.134 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)OCc1ccc(F)cc1C#N 728620540 MMLHTFXDRBDFCM-UHFFFAOYSA-N 446.862 5.469 30 20 IKED COC(=O)c1occc1/C=C/C(=O)c1sc(-c2ccccc2Br)nc1C 730148347 FDUCYBLAXPQQRQ-BQYQJAHWSA-N 432.295 5.157 30 20 IKED N#C[C@H](C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1nc2cc(F)ccc2s1 730416224 BXZGASXFNAXQIQ-PMZIWESGSA-N 433.346 5.346 30 20 IKED O=C1/C(=C/c2ccc(N3CCOCC3)c(F)c2)CCc2nc(-c3ccccc3F)sc21 731938121 OSWBQXWISTXXKA-DTQAZKPQSA-N 438.499 5.137 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NC[C@@H](O)c3ccc(Cl)cc3Cl)c2)cc1 732298166 RSCHLYPAGGNJIZ-OAQYLSRUSA-N 427.287 5.121 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 732434881 HYSPYIXRYSPGOW-RUZDIDTESA-N 445.950 5.112 30 20 IKED CC(C)C[C@H](NC(=O)OC(C)(C)C)c1noc(-c2ccc(Oc3ccc(C#N)cn3)cc2)n1 733735157 GQJOFQUNUOJWGS-IBGZPJMESA-N 449.511 5.407 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)cs1)C1CC1 734306695 QCPPVSJAIRTOAX-TWGQIWQCSA-N 439.518 5.191 30 20 IKED N#CCOc1ccc(Cl)cc1COC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 735341033 DOLLXWLXOZLKFE-UHFFFAOYSA-N 431.275 5.227 30 20 IKED CCc1cccc(N2C(=S)N[C@H](c3ccc(C#N)o3)C(C(=O)Nc3ccccc3)=C2C)c1 743743275 VTTWKLXLPIPQKM-HSZRJFAPSA-N 442.544 5.062 30 20 IKED CCOc1ccccc1Nc1nn(CN(Cc2ccc(C#N)cc2)C(C)C)c(=S)s1 746033737 VTSXTLRVTKBKDO-UHFFFAOYSA-N 439.610 5.556 30 20 IKED CC(=O)N(c1nc(CON=C(c2ccccc2)C(F)(F)F)cs1)c1ccc(C)cc1C 751954973 GEOANQVGGDLDAC-UHFFFAOYSA-N 447.482 5.928 30 20 IKED CN(C)C(=O)Sc1cccc(CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 753123303 VPVCILVRISSSIF-UHFFFAOYSA-N 435.524 5.662 30 20 IKED CC(C)(C)OC(=O)N(CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)C1CC1 753540351 NNJNGIZCHSOSAX-INIZCTEOSA-N 431.945 5.039 30 20 IKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C)=C(/O)c2ccc(C#N)cc2)cc1 762437385 INNYSNJEAPHAKG-UHFFFAOYSA-O 442.608 6.381 30 20 IKED C=CC[C@@H](N[C@@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1)c1ccncc1 766020909 QWNWTWPXOMFSLZ-YADARESESA-N 427.614 5.051 30 20 IKED C#Cc1cccc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccc(OC(F)F)c2)c1 771105800 YWYLTLXYTDSKAL-HSZRJFAPSA-N 436.458 5.037 30 20 IKED Cc1cc(C#N)ccc1NC1CCC(OC(=O)c2csc(Nc3ccccn3)n2)CC1 779235429 OJFMQXAIVUGQHB-UHFFFAOYSA-N 433.537 5.042 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1 780163151 KOCHWAMEGRKWHD-CYBMUJFWSA-N 429.278 6.343 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc([C@H]2CCCOC2)cc1 780306686 XWTJIAIRNRPJDS-JTHBVZDNSA-N 440.499 5.334 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1 780682390 VFKZNDMUJXZIQG-LJQANCHMSA-N 431.540 5.244 30 20 IKED CCOc1cccc2[nH]cc(CC(=O)[C@@H](C#N)c3nc(-c4ccc(OC)cc4)cs3)c12 783072777 VDTMHTRUDOXKOO-GOSISDBHSA-N 431.517 5.118 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 794497701 OBLZCZIVBJRSPJ-LLVKDONJSA-N 440.308 5.313 30 20 IKED CC(C)(C(=O)[C@H](C#N)c1cnc2ccccc2n1)c1csc(-c2c(F)cccc2F)n1 797160581 OKNJFZGJHRAVPW-CYBMUJFWSA-N 434.471 5.186 30 20 IKED C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 802592278 CMGMTCZMUOYNKS-JOCHJYFZSA-N 443.016 5.110 30 20 IKED C=CCN(C(=O)c1occ2c1CCOC2)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 807961897 KPJLMYCVZHZHPE-UHFFFAOYSA-N 442.540 5.976 30 20 IKED Cc1ccc(S(=O)(=O)c2ccc(NN=Cc3ccc(C#N)cc3C(F)(F)F)cc2)cc1 811632125 ATEYWMGSCYJUHW-UHFFFAOYSA-N 443.450 5.164 30 20 IKED Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1conc1Cc1ccccc1 814749306 VMEGUUNPKBMDLD-UHFFFAOYSA-N 430.320 5.002 30 20 IKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(-c2nc([C@H]3C[C@@H]3C)no2)ccc1Cl 904822226 XIRVHCXOMIBVDI-GUYCJALGSA-N 447.919 5.034 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CCCCC#N)c1nc(-c2ccsc2C(F)(F)F)no1 904922779 KCAHRKMGYFIBKN-LBPRGKRZSA-N 430.452 5.467 30 20 IKED Fc1ccc(OCc2nnc(S)n2N=Cc2ccc(-c3ccccc3F)s2)cc1 912817723 HTJFQGUJEFTZLP-UHFFFAOYSA-N 428.489 5.035 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2c3ccccc3n(C)c2s1 915860148 KQVDILYAIDCCNW-UHFFFAOYSA-N 438.512 6.013 30 20 IKED N#Cc1ccccc1/C=C/C(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 916070018 ZFOPIEOYYLJAQZ-VMPITWQZSA-N 425.366 5.074 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C=C/c1ccc(C)cc1Br 916902070 BPOXLKHYHXQRMC-CVTTXWKISA-N 439.353 5.243 30 20 IKED N#C[C@@H](C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1ccccc1Cl 916907111 ULXPIDQHZXJAEC-UJZCVKTISA-N 427.209 5.373 30 20 IKED Cc1cc(Cl)ccc1O[C@H](C)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916927861 PNLBFRLFTGWILO-BXUZGUMPSA-N 425.699 5.070 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2cccc(F)c2)n1)C(=O)Nc1cc(Cl)cc(Cl)c1 916944653 KFLLMTAVMLZRMH-QGZVFWFLSA-N 448.306 5.146 30 20 IKED Fc1ccccc1-c1ccc(C=Nn2c(S)nnc2-c2ccccc2Br)o1 917027434 DELSOPOJJDNTOM-UHFFFAOYSA-N 443.301 5.278 30 20 IKED C[C@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)c1nc2ccccc2n1C(F)F 917615068 GZSWPGICJWMCCF-AWEZNQCLSA-N 437.402 5.393 30 20 IKED COc1ccc2c(c1)CCC[C@H]2CC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 920108957 ZNFHNLFFZJXDPA-YWZLYKJASA-N 444.503 5.167 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc5ccc(Cl)cc5[nH]4)cc3)CCC2)CCC1 1785791461 BVHSAMIZPUVRQP-UHFFFAOYSA-N 446.938 5.263 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4cc(C)ccn34)CCC2)cc1 1785843387 XGSCLKJWEXNRPF-UHFFFAOYSA-N 444.579 5.383 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)cc2)CCC1 1786207438 MSJOMRYINWYYBS-KONDSOJQSA-N 449.507 5.104 30 20 IKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)no3)cc2)CCC1 1788367599 NLPITLVJMDSZPW-UHFFFAOYSA-N 448.910 5.046 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(Cl)cc(C)nc4c3)cc2)CCC1 1789220575 XXTOIDCKHJFBQF-UHFFFAOYSA-N 445.950 5.358 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)CCC2)cc1 1789448728 FOQMHGDCUMYGBG-KONDSOJQSA-N 449.507 5.104 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccncc3Cl)cc2)CCC1 1789730180 DOVDGYJQQARALQ-UHFFFAOYSA-N 425.960 5.475 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccccc4Cl)CCC3)cc2)cc1 1790707859 QZHHAMCACMXWLM-UHFFFAOYSA-N 443.934 5.468 30 20 IKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)CCc4ccsc4)CCC3)cc2)c1 1790762487 CGZHQWXXHACDLW-UHFFFAOYSA-N 447.535 5.139 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)C[C@H](C)c2ccccc2)[C@@H]1c1cccnc1 1812731963 XPQAQMJWYTVKSZ-NZJKTDFXSA-N 447.623 5.274 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C)c(OC)c2)n[nH]1 1820602177 WJNDOWWIEWDQAJ-HXUWFJFHSA-N 438.572 5.025 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)[nH]n1 1821917256 QQNBWAZUCPPNJJ-XOBRGWDASA-N 439.947 5.063 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)c(OC)c2)CC1 1823755271 QRUCBPPQWGHDOR-JOCHJYFZSA-N 444.591 5.060 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CSc2ncc(C(F)(F)F)cc2Cl)cc1 9160283 SVONGTWGPCPFTK-UHFFFAOYSA-N 443.878 5.191 30 20 IKED CCc1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2cc(C)cc(C)c2)cc1 10172500 OAPZRIOQHCCJLU-UHFFFAOYSA-O 434.541 5.112 30 20 IKED C=CCn1c(S[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 12477321 WFNCKXUGHHRZST-LJQANCHMSA-N 442.947 5.036 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nnc1-c1ccc(OC)cc1 17710168 CIGZYUMQRDPKQC-ZDUSSCGKSA-N 425.539 5.105 30 20 IKED C[C@H](OC(=O)c1csc(-c2cccc(Cl)c2)n1)C(=O)Nc1ccc(C#N)c(Cl)c1 18588270 PLOQBFKFMJWEEK-NSHDSACASA-N 446.315 5.173 30 20 IKED Cc1cccc(-n2c(N/N=C3/C(O)=Nc4ccc(Cl)cc43)nc3ccccc3c2=O)c1C 19333837 DCWMIEDBOKWMCZ-UHFFFAOYSA-N 443.894 5.074 30 20 IKED CC(=O)N[C@H](CC(=O)OCc1ccc(-c2ccccc2C#N)cc1)c1ccc(Cl)cc1 23464100 GNQOMOQGEMAPGL-XMMPIXPASA-N 432.907 5.189 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(Cl)ccc2F)n(C2CCCCC2)c1C 25810670 KRWHGEOMZNAZHK-UHFFFAOYSA-N 431.895 5.070 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2ccccc2Br)n1 26142535 DIBPXJDJCSTYBM-JTQLQIEISA-N 444.276 5.162 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)Cc3csc(-c4cccc(F)c4)n3)c2)c1 31776769 YFYFGUTUTVXJOE-UHFFFAOYSA-N 443.503 5.581 30 20 IKED CC(C)(C)C[C@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1 32381241 PNIGXGQILGFIGX-FQEVSTJZSA-N 446.551 5.316 30 20 IKED O=C(NCCc1ccccc1C(F)(F)F)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 64782371 ZGKGOCHMTHLBCQ-UHFFFAOYSA-N 445.338 5.022 30 20 IKED Cc1ccc(-n2ncc(C(=O)Nc3cccc(OCCCC#N)c3)c2C2CC2)cc1Cl 108298339 ULDRKYXISLWHPJ-UHFFFAOYSA-N 434.927 5.646 30 20 IKED CCOc1ccc(-c2nc(CC(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cs2)cc1 195662676 MSVSGGLFWPCJFJ-IBGZPJMESA-N 446.557 5.146 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNc2cnn(-c3ccc(C)c(Cl)c3)c(=O)c2Cl)c1 301255209 FJTUAPYYTOZLHB-KRWDZBQOSA-N 443.334 5.141 30 20 IKED Cc1sc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)nc1-c1ccc(F)cc1 428321713 BNDIZOMKZCZGEA-UHFFFAOYSA-N 431.496 5.287 30 20 IKED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3ccc(Oc4cccc(Br)c4)cc3)nc12 429577702 QRLGQPBTXLCVDN-SFHVURJKSA-N 447.292 5.311 30 20 IKED N#C[C@H]1CC[C@@H](Sc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)C1 430120313 HCKTTYRLOFXBAV-LSDHHAIUSA-N 429.343 5.133 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3c(Cl)cc(F)cc3Cl)s2)cc1 431469764 JMQJTSHCTWHYQY-UHFFFAOYSA-N 439.324 5.400 30 20 IKED CC(C)(C)OC1CC(CCNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 433467993 HGZORHQOYLZOEU-UHFFFAOYSA-N 435.568 5.437 30 20 IKED N#C[C@H](C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1nc(-c2ccccc2)cs1 434619823 GMJBXTISRIHECH-QGZVFWFLSA-N 433.439 5.766 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1 435069048 XFSUPWUUFXPCSN-UHFFFAOYSA-N 446.290 5.472 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)cc1 437379595 ZVHOLGPXJPAWJZ-INIZCTEOSA-N 442.378 5.099 30 20 IKED Cc1cccc2nc(C3CCN(C(=O)Nc4ccccc4S[C@H](C)CC#N)CC3)oc12 444815359 FNDZZRIRTXHOJR-QGZVFWFLSA-N 434.565 5.942 30 20 IKED CC(C)N(C[C@@H](O)COc1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 444894857 JKAXQQALXSAHAL-JOCHJYFZSA-N 445.519 5.033 30 20 IKED N#Cc1cc(F)c(C(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)c(F)c1 446122705 RRDJWXULULJKMS-UHFFFAOYSA-N 430.208 5.039 30 20 IKED Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)c2cccc(C(F)(F)F)c2F)n1 448455706 VBXOGCNGXBVVAR-UHFFFAOYSA-N 433.283 5.474 30 20 IKED N#C[C@@H](C(=O)c1cccc(-n2nccc2-c2ccccc2)c1)c1cc(C(F)(F)F)ccn1 464404201 WFEQYIIYLRITJR-HXUWFJFHSA-N 432.405 5.443 30 20 IKED CC(=O)N(c1nc(CSc2ccc(C#N)cc2Cl)cs1)c1c(C)cc(C)cc1C 465386575 BLQRQABMMSIVBE-UHFFFAOYSA-N 442.009 6.570 30 20 IKED N#Cc1cc(NC(=O)N2C[C@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)ccc1Oc1ccc(C(F)(F)F)cc1 467725767 YPRVSVFSYMINEY-KOUHRCEDSA-N 443.425 5.010 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1nnc(-c2cc3ccccc3o2)s1 470530222 QSDGKCVGGQTXIB-MSOLQXFVSA-N 429.505 5.255 30 20 IKED C[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1C(F)(F)F 470535976 BRTMSCXNAMKYIK-OAHLLOKOSA-N 444.457 5.171 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3cccs3)C2)cc1Cl 473780714 WEJZCWHAVUDGRH-FPOVZHCZSA-N 437.952 5.662 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 475580454 YMILZUSKRMNXMR-NHCUHLMSSA-N 427.633 5.282 30 20 IKED CC12CC3(C)CC(C)(C1)CC(C(=O)N1CCC(C(=O)Nc4cccc(C#N)c4)CC1)(C2)C3 475908334 JFQKZJFZGMXPFQ-UHFFFAOYSA-N 433.596 5.122 30 20 IKED Cc1cc(-c2cc(C(=O)N(C)c3cc(Cl)ccc3C#N)c3c(C)noc3n2)c(C)s1 479572867 HLUOSXXJAOGQFX-UHFFFAOYSA-N 436.924 5.678 30 20 IKED O=C(NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1c(F)c(F)cc(F)c1F 480917094 XMSKWYCSVLVMPO-UHFFFAOYSA-N 444.306 5.379 30 20 IKED CCOc1ccc(-c2nc(CC)c(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)s2)cc1 483434367 DAWQIDMZDLMBET-QGZVFWFLSA-N 430.533 5.148 30 20 IKED Cc1ccccc1NC(=O)[C@@H]1CCc2ccccc2N1C(=O)C[C@@H](CC#N)c1ccccc1 483459649 FTCJLBNYRPLNSJ-BVAGGSTKSA-N 437.543 5.369 30 20 IKED COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(C)c2)cc1OCCCC#N 493902138 AKOPSMIYQNOAGW-RUZDIDTESA-N 427.504 5.457 30 20 IKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)Nc1cccc(OCCCC#N)c1 502531180 ORSCKCCUASPTQR-FQEVSTJZSA-N 429.520 6.462 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)Cc3ccc(OCc4ccccn4)cc3)c2)c1 503431309 MBDKPFZYQSRPSX-UHFFFAOYSA-N 449.510 5.292 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N(Cc3ccccc3C(F)(F)F)C3CC3)CC2)c(F)c1 504866494 ZSMRJAFFTDCZDH-UHFFFAOYSA-N 445.460 5.124 30 20 IKED N#C[C@@H](NC(=O)CCc1ncc(-c2ccccc2Br)o1)c1ccccc1Cl 505695002 QYTQNUCLNFAOMB-QGZVFWFLSA-N 444.716 5.071 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H](CO)c2ccc(Cl)cc2)cc1Cl 506476451 FXGMDVKYKPOVIY-SFTDATJTSA-N 425.315 5.363 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@H](c2nccs2)C(F)(F)F)c1 507630928 LFXFTKBFJSHJSQ-MRXNPFEDSA-N 437.830 5.494 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 509670139 ZBEHEOXBXNMJPE-HXUWFJFHSA-N 440.503 5.233 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCc2ccc(-c3ccccc3F)o2)cc1 511004230 YWUOAUWKGPZTAG-UHFFFAOYSA-N 430.401 5.481 30 20 IKED N#Cc1ccc(Cl)c(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)c1 511137523 DKGLPCYOGMTYIA-GOSISDBHSA-N 436.726 5.152 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)cc2)cc1 511740789 HQGSSMHQGXZXRW-UHFFFAOYSA-N 437.286 5.486 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCC(NC(=O)C4CCCC4)CC3)cc2)cc1 511746933 UYHMZAINMDVEBO-UHFFFAOYSA-N 431.536 5.154 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1F)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 512441134 GFXPUEIUUWMRMU-UHFFFAOYSA-N 433.283 5.023 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CSCc1ccc(C#N)cc1 514424822 PYTDMNVFJBNVBC-UHFFFAOYSA-N 429.520 5.344 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1OCCC(C)C 516713620 BYDOXSZFFJMCDL-HXUWFJFHSA-N 445.544 5.605 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)C3(c4ccccc4F)CCCC3)s2)cc1 517464413 ZAIRPRXBDWALFD-UHFFFAOYSA-N 438.553 5.292 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)COc1ccccc1C(F)(F)F 519451148 RJSPUBHSOQSMLR-HUUCEWRRSA-N 437.487 5.546 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 520475978 LHKMHVAZTBCYHE-UHFFFAOYSA-N 444.510 5.070 30 20 IKED CCOc1ccc(Br)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 521078273 QBWMDQAOMDCHQG-UHFFFAOYSA-N 438.281 5.159 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 521416588 FINUVHUSRSXRMU-UHFFFAOYSA-N 449.558 5.531 30 20 IKED C=CCOc1c(Br)cc(CNc2ccc(Oc3cccnc3)nc2)cc1OC 521483593 OWMGIOPXASCSRZ-UHFFFAOYSA-N 442.313 5.217 30 20 IKED CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccccc3SCCC#N)c12 521712071 HEJSCRAZCANBDZ-UHFFFAOYSA-N 434.565 5.947 30 20 IKED C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 522327709 SIEUXXHJHLPWHB-KRWDZBQOSA-N 432.455 5.079 30 20 IKED Cc1cccc([C@H](C)NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1C 522438381 SIEQCRANAMJGPP-HNNXBMFYSA-N 449.498 5.144 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc3c(ccc4ccccc43)s2)c1 523228583 MXNYRARXKBVYBW-UHFFFAOYSA-N 425.469 5.745 30 20 IKED Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1Oc1ccncc1 523744578 BQUMQTROPRKSII-SANMLTNESA-N 449.510 5.756 30 20 IKED CCN(C(=O)c1ccc(CC#N)cc1)[C@H](c1ccc(Br)cc1)c1cccnc1 534000557 PHNZPMNMTAZMQB-JOCHJYFZSA-N 434.337 5.162 30 20 IKED C=CCN(C(=O)c1cccc(-c2c(F)cccc2F)c1)c1nc(C(=O)OCC)cs1 535325672 OXJGKUXWPLROEC-UHFFFAOYSA-N 428.460 5.098 30 20 IKED Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 538201236 IKHKOKXJBITIEP-NRFANRHFSA-N 449.942 5.500 30 20 IKED C=CCCOCCCCC(=O)N1CCc2c(cccc2NC(=O)Nc2ccc(C)cc2)C1 538296614 VUSAJIRIDCCWSR-UHFFFAOYSA-N 435.568 5.287 30 20 IKED CCN(CC(=O)Nc1c(C)cccc1C)Cc1cccc(OCc2cccc(C#N)c2)c1 538735098 WQTJUVRABUWDHF-UHFFFAOYSA-N 427.548 5.215 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)CCCNC2CCC(C#N)(c3ccccc3)CC2)cc1 539119355 BGMQOWDINSREBQ-SKAWFLRFSA-N 433.596 5.036 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 540308111 MOYVSJNFYLJCPO-YADHBBJMSA-N 429.923 5.049 30 20 IKED CC(C)N(Cc1ccc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1)C[C@H]1CCCCO1 541032741 HUBBYBLZEFUICX-NBGIEHNGSA-N 434.584 5.220 30 20 IKED FC(F)n1ccnc1CN[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 541194791 JARMGOYXTXOKSX-NSHDSACASA-N 441.244 5.709 30 20 IKED CCCCSc1ccc(Cl)cc1C(=O)N[C@@H](C#N)c1cc(OC)c(OC)c(OC)c1 542522606 OKJFLLCAQUQALH-KRWDZBQOSA-N 448.972 5.253 30 20 IKED N#Cc1ccc(Oc2ccc(-c3nc(Cc4nc5ccccc5n4C(F)F)no3)cc2)nc1 546330962 QLEOIMXLFGMWLJ-UHFFFAOYSA-N 444.401 5.131 30 20 IKED CCOc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc(Cl)c1O 547290202 RMDDUAWCEBSOGK-UHFFFAOYSA-N 436.895 5.342 30 20 IKED N#CC1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@@H]2CCCCO2)CC1 549619772 OOILFJCPSVXHOB-INIZCTEOSA-N 441.988 5.122 30 20 IKED CNC(=O)Nc1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)ccc1F 552313928 XZROVEQSFKMSAT-UHFFFAOYSA-N 438.846 5.147 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(OCc2ccccc2)CC1 555219767 DPSZAIXJEOFSPA-UHFFFAOYSA-N 439.563 5.255 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1 557565921 WXZQYLPXHGGHOV-CUYJMHBOSA-N 442.490 5.134 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 557587842 FGTUKYNBGFLFOE-UHFFFAOYSA-N 443.503 5.016 30 20 IKED CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 568870467 JXKGHTBGRPSIKH-UHFFFAOYSA-N 441.556 5.011 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCCC[C@@H]3c3nnc(C4CCC4)o3)cc2)c1 582204594 CLGCBDLOCKTDCQ-JOCHJYFZSA-N 443.507 5.760 30 20 IKED CC[C@@](C)(NC(=O)c1ccccc1)c1noc(-c2cn(CCCC#N)c3ccccc23)n1 589156556 VKMXJFKPRYSAOC-RUZDIDTESA-N 427.508 5.050 30 20 IKED C=CCc1cc(CNC(=O)N[C@@H](c2ccccc2)c2ccccc2OC)cc(OC)c1OC 594979882 LVJORPASROMANW-VWLOTQADSA-N 446.547 5.030 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(COc4ccc(F)cc4)o3)cn2)cc1 603763963 DUCCULMGPRHPDK-UHFFFAOYSA-N 429.407 5.309 30 20 IKED CC(C)Oc1ccccc1[C@@H](C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 603831639 NVWAHVNCZCQYQO-HXUWFJFHSA-N 443.547 6.002 30 20 IKED CC[C@H](C)c1ccccc1OCC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604003130 DSJDKOZLOOODNE-FQEVSTJZSA-N 428.532 5.863 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H](C(=O)c4ccc(F)cc4)C3)c2)cc1 606572228 JUIDAKHBONBHRS-FQEVSTJZSA-N 443.478 5.616 30 20 IKED N#Cc1ccc(Oc2ccc(N[C@@H](C(=O)NC3CC3)c3ccc(F)cc3)cc2Cl)cc1 609041225 GJDVYCPZCGIDBA-HSZRJFAPSA-N 435.886 5.575 30 20 IKED COc1ccc([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1F 609078744 MJDQVFHATVCHEJ-KRWDZBQOSA-N 433.483 5.476 30 20 IKED N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 609096744 NNLCBVMOWRZFHJ-ILBGXUMGSA-N 440.934 5.475 30 20 IKED COCCCCN(Cc1ccccc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609209133 YNFYRXXKVDFXIA-UHFFFAOYSA-N 429.520 5.811 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 609437111 PVSXMYSFODUESR-RBUKOAKNSA-N 446.576 5.938 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](c1ccccc1)C(F)(F)F 609682512 ZXIPKFTXUXGTJI-QFIPXVFZSA-N 439.437 5.871 30 20 IKED C[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609941938 QYFKQJFVTAUSQF-INIZCTEOSA-N 433.895 5.162 30 20 IKED N#CCN(C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C1CCCC1 609976887 CMJJBYKOFSBGEE-OBGWFSINSA-N 446.532 5.430 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(Br)c(F)cc1Cl 610634877 XORPYMVXYTVLFW-ACJLOTCBSA-N 436.712 5.545 30 20 IKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1ccccc1Oc1ccccc1C#N 611503122 MLRUXBUVIMYZQE-ATIYNZHBSA-N 426.516 5.590 30 20 IKED Cc1cc(C#N)ccc1CN[C@H](C)c1sc(-c2ccccc2Br)nc1C 614405803 HNVUEFANFYECHK-CQSZACIVSA-N 426.383 5.912 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nnc1-c1cccc(C)c1 617940195 FKLIDXHNUVVIII-MSOLQXFVSA-N 446.576 5.544 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3coc(C4CCC4)n3)s2)c(C(F)(F)F)c1 618081799 BXBWCEJPVZESIG-UHFFFAOYSA-N 432.427 5.132 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)cc(Br)c1 642545682 AXDAPHRUWCGMSK-RKDXNWHRSA-N 436.165 5.228 30 20 IKED C=CCn1c(-c2cccc3cccnc23)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 669814190 WFTAAHPPBDVXAA-DHLKQENFSA-N 439.563 5.283 30 20 IKED CC(C)Cn1ncc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1C1CC1 678171122 AEBGWCIRZIBIJS-AWEZNQCLSA-N 432.471 5.535 30 20 IKED Cc1nc(NC(=O)c2ccc(-c3ccccc3Br)n2C)sc1SCC#N 725717932 FHBBDPJOPHFFDP-UHFFFAOYSA-N 447.383 5.088 30 20 IKED CC(C)[C@H](Sc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 727233997 CIIHIXCUGYSAMU-VFNWGFHPSA-N 428.529 6.081 30 20 IKED C#Cc1cccc(N(C(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)C(C)C)c1 728247857 KDAGUVVWSVEQPJ-UHFFFAOYSA-N 442.902 5.177 30 20 IKED COc1cc2c(cc1NC(=O)N1CCC(Oc3cccc(C#N)c3)CC1)oc1ccccc12 729495828 WNLIUZSGAVGRLO-UHFFFAOYSA-N 441.487 5.542 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 731542087 SXORUNSMWYNKJL-OPAMFIHVSA-N 444.000 5.712 30 20 IKED Cc1csc(SCc2ccc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)cc2)n1 731646035 WNDZOENYABXRRY-GOSISDBHSA-N 447.507 5.757 30 20 IKED CCOc1c(OC)cc(/C=C2/CCc3nc(-c4ccccc4F)sc3C2=O)cc1OC 731936506 AEUSBAYBCUMDCH-PTNGSMBKSA-N 439.508 5.578 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc3cc(C(C)C)ccc3c2Cl)cc1 732708910 UQIDYDAGSKYILX-QGZVFWFLSA-N 426.925 5.648 30 20 IKED C[C@@H](Nc1ccc(N(C)Cc2ccccc2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 732916943 ARKOPRABDKCQER-QGZVFWFLSA-N 430.577 5.184 30 20 IKED CC(C)(C)OC(=O)N[C@H](CCC(=O)N[C@H](C#N)c1ccc(Cl)cc1)c1ccccc1 733258664 HWZHBLOYZYEYKB-WOJBJXKFSA-N 427.932 5.067 30 20 IKED C=CCn1c(COc2ccccc2F)nn(CN(C)CCc2ccc(Cl)cc2)c1=S 733298522 JFMDROKMEUUXAV-UHFFFAOYSA-N 446.979 5.104 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(Oc2ccccc2)nc1 733679224 WTHVQMJZKDVZDP-SFHVURJKSA-N 439.443 5.150 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(OCc3cccnc3)c2)cc1 733680282 YMQBIHUNCHZTHX-HOYKHHGWSA-N 427.504 5.135 30 20 IKED CC[C@@H](Cc1cccc(Br)c1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 735400236 UIIVKZITQHKKFV-GOEBONIOSA-N 446.295 5.639 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C(C)(C)c1cccc(Cl)c1 736916131 QNWJWQHBHCXJQY-OAHLLOKOSA-N 430.957 5.194 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)CN(Cc3cccnc3)c3ccccc3)c2)s1 739750502 WISLSEIVVCXASU-UHFFFAOYSA-N 438.556 5.005 30 20 IKED Cc1csc(-c2cccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2)n1 740530001 YXKAXZZLIXTILN-KRWDZBQOSA-N 443.500 5.394 30 20 IKED COCCN(C(=O)CCN1c2ccccc2Sc2ccccc21)c1ccc(C#N)cc1 741958005 XINPHEYYNRVNHT-UHFFFAOYSA-N 429.545 5.231 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1NC(=O)OC(C)(C)C 742515313 SEROPDFSZAHDJZ-UHFFFAOYSA-N 427.504 5.389 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cccc(Cl)c2SC(C)C)ccc1OC 743183983 HCFHHPDQFIRDPP-MRXNPFEDSA-N 447.988 5.852 30 20 IKED Cc1cccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1NC(=O)c1ccncc1 743884260 DDBUJMZGUHMXJS-UHFFFAOYSA-N 448.482 5.559 30 20 IKED Cc1cc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)ccc1N1CCSCC1 749821184 BJOGIULSYBJSSZ-UHFFFAOYSA-N 443.572 5.251 30 20 IKED COc1ccc([C@@H](C)CC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 750683473 FBYZYKAECCTDEZ-AVRDEDQJSA-N 428.488 5.329 30 20 IKED C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H](O)c1c(Cl)cccc1Cl 752677315 JWADVWBLFBPGSL-NQCMUKECSA-N 438.380 5.489 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 755880084 MNIWXBKYENXRBJ-SFHVURJKSA-N 434.323 5.264 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccsc3)N(C3CC(F)(F)C3)C2=O)c1 757922241 XFWXPQJJZDSAFU-KRWDZBQOSA-N 449.548 5.123 30 20 IKED C/C(=C\c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 758874376 WZXONAPWICXMDB-MDJJKAFGSA-N 428.941 5.319 30 20 IKED C[C@H](C[C@@H](O)c1ccco1)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 759499116 SUVBSOQMYSNOFO-FOIQADDNSA-N 439.899 5.017 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)c3sc(-c4ccco4)nc3-c3ccccc3)CCO2)c1 762313921 PUKDSLUBBVXWJZ-OAQYLSRUSA-N 441.512 5.155 30 20 IKED C[C@H](C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C1CC1 764755509 XDWXPTCRIBZTIS-YFKPBYRVSA-N 428.213 5.017 30 20 IKED COC(=O)c1coc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1 766502735 PXDIVJLKNSUGJQ-YVMONPNESA-N 444.270 5.521 30 20 IKED N#Cc1cc(/C=C(\Cl)c2nc3cc(-c4ccc(F)cc4)sc3c(=O)[nH]2)ccc1F 770570998 MPYRFBWVCYIBAY-NVNXTCNLSA-N 425.847 5.538 30 20 IKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)nc1O 771860513 QVOIBEMTKSWIQL-IWQZZHSRSA-N 429.238 5.740 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCn3c(cc4ccc(Cl)cc43)C2)cc1 772229944 JHLHUJNHECAESY-DEOSSOPVSA-N 440.934 5.998 30 20 IKED CN(C[C@@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1)C(=O)OC(C)(C)C 778244206 GLIZBWLFNBSUDA-IBGZPJMESA-N 449.551 5.070 30 20 IKED CC[C@H](C)c1ccc(-c2cc(C(=O)[C@H](C#N)C(=O)c3nccn3C)c3ccccc3n2)cc1 780445818 SSXDFTXTVGLENX-JTSKRJEESA-N 436.515 5.354 30 20 IKED C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccccc1SCCC#N)c1ccc(N)cc1 783482814 LABHGGJLMYHVLY-GOSISDBHSA-N 444.560 5.007 30 20 IKED CC[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(C)(C)c1ccccc1 784980178 GFKSOAJDTCPJNV-JWQCQUIFSA-N 439.559 5.153 30 20 IKED Cc1cc([C@@H](OC(=O)Cc2cccc(OCC#N)c2)C(F)(F)F)ccc1Br 792773558 GETLATVVUSJBQK-GOSISDBHSA-N 442.231 5.049 30 20 IKED C[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1nnc(-c2ccc(Cl)cc2Cl)o1 795981044 GYUMKVCXMKYVRQ-ZFWWWQNUSA-N 430.291 5.735 30 20 IKED COC(=O)c1cccc(CN[C@@H](c2c[nH]c3ccccc23)C(Cl)(Cl)Cl)c1C#N 796467644 AHNRNUXXTKNJMV-SFHVURJKSA-N 436.726 5.027 30 20 IKED Cc1ccc(OCc2nc(CC(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)cs2)cc1 797573814 XJEINFNAMPRNQO-QGZVFWFLSA-N 425.579 5.204 30 20 IKED CC1(c2ccc(Br)cc2)CCN(C(=O)Nc2ccc(F)cc2OCC#N)CC1 799404689 HUXJNFONCOHMST-UHFFFAOYSA-N 446.320 5.076 30 20 IKED C[C@H](Cc1cncc2ccccc12)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 805856576 YNGPPJKGZVWKED-DVECYGJZSA-N 449.510 5.553 30 20 IKED C#C[C@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(Cl)cc1F 807330155 NACKQTCDORFWCI-NRFANRHFSA-N 434.858 5.324 30 20 IKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915101634 JFZJBSGVMKEECN-RBBKRZOGSA-N 447.947 5.604 30 20 IKED C[C@@H](NC(=O)c1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103118 OXYOETHTDOVDHZ-WBMJQRKESA-N 444.343 5.112 30 20 IKED C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C2CC2)o1 915353537 OPLSZYKWABQPHK-YWWLGCSWSA-N 425.532 6.255 30 20 IKED CN(Cc1ccccc1OC(F)(F)F)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915354321 ZWXRCSVUXLPNDJ-NRFANRHFSA-N 439.437 5.905 30 20 IKED Cc1ccc(-n2c(SCCCOc3ccc(C#N)cc3)nnc2-c2ccncc2)cc1 915794638 ICCSMKNUCDRVMF-UHFFFAOYSA-N 427.533 5.071 30 20 IKED Cc1ccc(-n2c(-c3ccccc3)nn(CN(CCC#N)Cc3cccnc3)c2=S)cc1 915795955 OMDIMCGEMVLHBT-UHFFFAOYSA-N 440.576 5.147 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCC(=O)c1ccc2c(c1)CCCC2 916902903 IRJCOQYFWUGGIE-QHCPKHFHSA-N 430.548 5.001 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N(c4ccccc4Cl)C3)n2)cc1 916975299 XHUQEZHLQPHENM-IAGOWNOFSA-N 435.936 5.001 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cccc(Br)c2)cs1 917557641 DJLRVSZZZKFUBU-YFHOEESVSA-N 445.313 5.625 30 20 IKED CCC(=O)N1CCc2cc(C3=NNC(=Nc4ccc(Cl)cc4Cl)SC3)ccc21 917626591 SACKMVHQSYOOAW-UHFFFAOYSA-N 433.364 5.021 30 20 IKED CNC(=O)C[C@H]1SC(=Nc2cccc(C(C)C)c2)N([C@@H](c2ccccc2)C2CC2)C1=O 917708189 GJFPBPZFVGSJPF-GGAORHGYSA-N 435.593 5.029 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)n2)cc1 920138760 IQWAHDRNSZITQR-RDTXWAMCSA-N 426.925 5.424 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CSCc3ccc(Cl)cc3)n2)cc1 920139681 XPULWZMKZIASBY-GOSISDBHSA-N 428.966 5.582 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCCCOc3cc(C)ccc3C)n2)cc1 920326581 ZHEDSRGWJQRVKB-OAQYLSRUSA-N 434.561 5.861 30 20 IKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920804481 RLQFTZPZSWQWNA-UTKZUKDTSA-N 449.482 5.229 30 20 IKED CCn1c(O)nc2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cc21 1464146340 YDTMIYXTKNGDRH-IBGZPJMESA-N 430.895 5.323 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C4CC4)cc3)CCC2)cc1 1786367255 HAELUGXOEUKVHV-UHFFFAOYSA-N 432.564 5.295 30 20 IKED N#CCC(=O)NC1(c2ccc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)cc2)CCC1 1789995201 DTHBLHISINGSOB-UHFFFAOYSA-N 438.487 5.089 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2)CCC1 1790341567 KLCBCESOXNKISR-UHFFFAOYSA-N 444.984 5.016 30 20 IKED Cc1cc(Cl)c(Cl)cc1C(=O)Nc1ccc(C2(NC(=O)CCC#N)CCC2)cc1 1790802389 JXTYGGAXLYBVPI-UHFFFAOYSA-N 430.335 5.353 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)/C=C/c3ccc(C)s3)CC2)C1 1805459654 RATSMVVBGCTCJI-VAWYXSNFSA-N 426.626 5.069 30 20 IKED C#CCCCCC(=O)N1CCC2(CCCN(C(=O)[C@@H](c3ccccc3)[C@@H](C)CC)C2)CC1 1809158625 HGAIKEUZYPQHCS-JYFHCDHNSA-N 436.640 5.241 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C2(C)CCCCC2)[C@H]1c1cccnc1 1812998952 QYYDMQGXTPBCKJ-FCHUYYIVSA-N 425.617 5.050 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(C(F)(F)F)CCC2)n[nH]1 1817193287 ADOXXDHIUAYYPD-MRXNPFEDSA-N 440.510 5.127 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(C)(C)C)nc2)[nH]n1 1819300454 CTJKBCBCMGOIBE-PZJWPPBQSA-N 449.599 5.177 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/C3CCCC3)n[nH]2)c1 1820902753 GEKPZVURMDZCAV-XIVIEHSASA-N 445.567 5.089 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc3occc3n2-c2ccccc2)C1 1844633998 ZZIBETXTTLPJHP-UHFFFAOYSA-N 445.563 5.033 30 20 IKED CC[C@H](C)c1ccc([C@@H](NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c2cccs2)cc1 9930352 YGIPNNUQVQXYPW-IVCQMTBJSA-N 447.604 5.277 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)c(C)c2c1 14496998 CDQXXHASAZONSX-UHFFFAOYSA-N 429.501 5.510 30 20 IKED C[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 16771945 YQEXRBNEZCLNHD-GFCCVEGCSA-N 442.541 5.197 30 20 IKED C[C@H](Sc1ncnc2cc(-c3ccc(F)cc3)sc12)C(=O)Nc1ccccc1C#N 21329660 CBLGONWRHUNFOU-ZDUSSCGKSA-N 434.521 5.488 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)cc1 25839846 YTSRGWFKVAJZRZ-UHFFFAOYSA-N 440.366 5.555 30 20 IKED C=CCn1c(-c2ccco2)nn(CN2CCc3sccc3[C@H]2c2cccs2)c1=S 28786376 VVIAPVJYHJVRPE-IBGZPJMESA-N 440.619 5.588 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 32616880 YSSHMAFPXZADPT-UHFFFAOYSA-N 440.934 5.265 30 20 IKED N#CCOc1cccc(NC(=O)c2ccccc2OCc2cccc(Br)c2)c1 107752107 MFSNUEHVYBZFAW-UHFFFAOYSA-N 437.293 5.183 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1ccccc1Br 108267910 SMXSGPIMLVCEQG-UHFFFAOYSA-N 436.309 5.388 30 20 IKED C[C@@H](C#N)Oc1ccc(CNCc2ccccc2-c2ccc(CN3CCCC3)cc2)cc1 237509145 KWELXJILXUGGFN-QFIPXVFZSA-N 425.576 5.530 30 20 IKED Cn1cnnc1Sc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1Cl 303096056 JNFIFRKMCRGMMI-UHFFFAOYSA-N 445.935 5.411 30 20 IKED COc1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)cc1OCc1cccnc1 428161603 QCVMEABVKROFGD-UHFFFAOYSA-N 429.501 5.316 30 20 IKED Cc1ccc(NC(=O)[C@H]2CCc3ccccc3N2C(=O)c2cccc(SCC#N)c2)cc1 429783405 GWFAMPTXWUCVJJ-XMMPIXPASA-N 441.556 5.211 30 20 IKED Cc1ccc2nc(-c3cccnc3)cc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)c2c1 430619543 GHOZZIFMHLHTPP-IBGZPJMESA-N 426.545 5.849 30 20 IKED CCn1nccc1C1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CC1 433216843 ZCOISDROISPDOO-UHFFFAOYSA-N 443.551 5.074 30 20 IKED C[C@H]1CN(C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c2ccccc21 434417447 VBUKCFNNYRLJRZ-HRAATJIYSA-N 429.907 5.084 30 20 IKED C=CCOc1ccc(C(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1OC 437016799 GOMLGDHKDIQEJF-UHFFFAOYSA-N 448.466 5.332 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(Cl)ccc1N1CCSCC1 438185567 CORLLLUCJHTLJY-TZIWHRDSSA-N 441.000 5.197 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1 438669643 AXLJZAVDUCOVHL-UHFFFAOYSA-N 430.508 5.043 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(COCC)cc2)nnc1-c1ccc(Cl)cc1 440449095 YSQDQTLUYNZSAZ-UHFFFAOYSA-N 442.972 5.052 30 20 IKED CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)n1 441530397 AGYOGSAEQSXAHN-UHFFFAOYSA-N 430.386 5.057 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(-c4noc(C5CC5)n4)c3)n2)cc1 442681812 SGZRMJGGHCLFIK-IBGZPJMESA-N 426.501 5.536 30 20 IKED CCOc1ccc(-n2c(S[C@H](C)c3cccc(C#N)c3)nnc2-c2cccnc2)cc1 442910459 BHLLFSXKSCFISH-QGZVFWFLSA-N 427.533 5.453 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1Cl 447355086 PINHBDGCROXCFG-OLZOCXBDSA-N 436.364 5.204 30 20 IKED C=C(C)[C@@H](NC(=O)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1)c1ccc(F)c(F)c1 460877711 BSZDIPFVDHOAMD-DOTOQJQBSA-N 444.404 5.007 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 463737060 CZOIXFQUXSSQBE-ZVZYQTTQSA-N 444.398 5.769 30 20 IKED COc1ccc(-c2cc(NC(=O)NCc3cc(C#N)ccc3F)ccc2OC(F)F)cc1 466194929 MZEXXTJHLZTXAB-UHFFFAOYSA-N 441.409 5.296 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)NCc1cc(C#N)ccc1F 467276316 AFLYWMNKPROPIM-UHFFFAOYSA-N 436.874 5.233 30 20 IKED N#C[C@H](C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)c1nc(-c2ccccc2)cs1 472393376 AXKAUIOOXMENNV-QGZVFWFLSA-N 438.434 5.505 30 20 IKED Cc1nc2cc(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)ccc2n1Cc1ccsc1 472564357 MFAZLCPVQUWLAH-UHFFFAOYSA-N 426.545 5.131 30 20 IKED C=CCC[C@H](NC(=O)N1CCSC2(CCOCC2)C1)c1ccc(C(F)(F)F)cc1 472794943 QFQABOOSGYZCMU-SFHVURJKSA-N 428.520 5.020 30 20 IKED C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 473634820 ZMBOHXFJPKXOQE-INZIPBBXSA-N 433.533 5.313 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)nc1 474263308 CRKNZBAUHIKHSI-GFCCVEGCSA-N 430.270 5.543 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O 476148101 MGFCVOHQYLGPQB-SFHVURJKSA-N 441.369 5.293 30 20 IKED O=C(CSc1cccc(C(F)(F)F)c1)Nc1ccc(OC(F)F)cc1OC(F)F 478974894 DCRLBMZSHMCVNW-UHFFFAOYSA-N 443.340 5.639 30 20 IKED CC(C)NC(=O)Cc1ccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1 479497364 CYCLVSOGLAHJDG-UHFFFAOYSA-N 429.545 5.029 30 20 IKED CCCN(C(=O)Nc1cnn(-c2ncccc2C#N)c1)[C@@H](C)c1ccc(Cl)c(Cl)c1 481371107 LAZBYQBCKGCYRL-AWEZNQCLSA-N 443.338 5.451 30 20 IKED C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(OC(F)(F)F)cc1 481699252 USCZMDXPVFSMMD-AWEZNQCLSA-N 430.382 5.120 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 485698423 VTAIUGWPSFICSK-UHFFFAOYSA-N 447.901 5.249 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1C 485849927 DNGQNKPGTQBDRU-UHFFFAOYSA-N 446.894 5.439 30 20 IKED Cc1cccc(CN(Cc2ccccn2)C(=O)Nc2ccc(C#N)c(Br)c2)c1 487954172 KEAJHQPVUMCIMS-UHFFFAOYSA-N 435.325 5.259 30 20 IKED COCCn1c(SCCCCC#N)nc2scc(-c3ccccc3Cl)c2c1=O 501253566 WFSNRWPQGUAUGC-UHFFFAOYSA-N 433.986 5.211 30 20 IKED Cc1nc(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)sc1SCC#N 504800227 FKYTUKBPEGCDSQ-UHFFFAOYSA-N 442.614 5.251 30 20 IKED C=CCCc1ccccc1NC(=O)N(CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 505004734 GDJLRPVUZRIZEQ-UHFFFAOYSA-N 448.954 5.526 30 20 IKED CC(C)c1nn(-c2ccc(Br)cc2)cc1CN(CCC#N)Cc1cccnc1 505842710 OVJBFBXNKWNSOO-UHFFFAOYSA-N 438.373 5.069 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 506019154 GVJFHFALDWIBGE-CQSZACIVSA-N 432.977 5.144 30 20 IKED Cc1cc(Br)cc2cc(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)oc12 507261376 GMUVKUCQWGJTMC-UHFFFAOYSA-N 439.309 5.059 30 20 IKED CCOc1ccccc1Oc1ccc(CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)cn1 508080143 SYZHYWPLMGSLHF-UHFFFAOYSA-N 433.512 5.022 30 20 IKED C=C(C)CCc1noc(/C=C/c2csc(N(C(C)=O)c3cccc(C(F)(F)F)c3)n2)n1 508644896 ZHYQMLSVDNUXMN-CSKARUKUSA-N 448.470 5.909 30 20 IKED C=CCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 508802600 RWSIIKXFZLNAAA-GOSISDBHSA-N 435.380 5.001 30 20 IKED CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510007567 YMTPFRGGIOJMJR-DEOSSOPVSA-N 446.982 5.591 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 510332393 QJGQKODGBJCWBO-UHFFFAOYSA-N 426.520 5.137 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 511542760 QNXXSDJNBBSVCL-HOTGVXAUSA-N 440.334 5.951 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(F)c2ccccc12 511720470 LMZNRNWIXQPSOP-JKSUJKDBSA-N 435.524 5.047 30 20 IKED N#Cc1c(NC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)sc2c1CCC2 512354781 KKGQLXFQAYFZBX-UHFFFAOYSA-N 441.512 5.288 30 20 IKED C=CCN(Cc1cccs1)C(=O)NC[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 514564013 NWOSIIHFQGADCJ-QHCPKHFHSA-N 445.588 5.768 30 20 IKED CC(=O)c1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 515696968 HDXNSCODYUXEGL-UHFFFAOYSA-N 426.881 5.007 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccsc2)cc1Cl 517126377 VABJMTGVACYSGL-IFMALSPDSA-N 449.963 5.359 30 20 IKED N#Cc1c(NC(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)sc2c1CCCCC2 518246030 NSSNEOFTOZKTQQ-UHFFFAOYSA-N 437.546 5.036 30 20 IKED CC(C)[C@@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)N1CCc2ccccc2C1 518685087 YUROAMUDFIHHMI-WMZHIEFXSA-N 436.625 5.143 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N(Cc3cccc(Br)c3)C3CC3)cc2)nc1 518910446 AFGIEPVVBWFEIL-UHFFFAOYSA-N 448.320 5.313 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)c2)cc1 519195894 UMCFWNFBWNQKII-HXUWFJFHSA-N 440.503 5.233 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(OCc2ccccn2)cc1 520096032 VSBRHLNIYOGPGD-UHFFFAOYSA-N 428.561 5.321 30 20 IKED C=CC1CCN(C(=O)CC23CC4CC(C2)CC(CC(=O)N2CCC(C=C)CC2)(C4)C3)CC1 520377964 YAZKPMGTJBPLQR-UHFFFAOYSA-N 438.656 5.202 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1C 520470849 PLGLWOIIOJMNFR-UHFFFAOYSA-N 425.492 5.352 30 20 IKED CC(C)CN(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)Cc1ccc(C#N)cc1 521822230 FWAILSYZAMVWMH-JOCHJYFZSA-N 446.576 5.049 30 20 IKED CN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(C#Cc2ccccn2)c1 522070741 HZGKBZVAFYDWHD-UHFFFAOYSA-N 438.300 5.047 30 20 IKED COc1ccccc1Oc1ccc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 523594335 JRECKMPDFJASFX-GOSISDBHSA-N 447.560 6.061 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2c(C)n(C3CCCC3)c3ccc(OC)cc23)cc1 525063731 KNGMOKQZFMXPCT-UHFFFAOYSA-N 431.536 5.242 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1cc(-c2ccccc2)nn1C(C)(C)C)c1ccccc1 534195847 SIVITWPROKIHOI-OAQYLSRUSA-N 430.552 5.067 30 20 IKED CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 536398309 WWZFUFJQECPTOD-UHFFFAOYSA-N 448.832 5.028 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 537517927 XIPVRVCAFYVHTA-APWZRJJASA-N 432.553 5.235 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccc(-c2ccc(Cl)cc2)s1 538864383 XFBQPAFMFUAVCT-OAHLLOKOSA-N 439.968 5.468 30 20 IKED CC[C@H](NC[C@H](C#N)CCC#N)c1ccccc1OCc1ccccc1Br 539260940 JJWKMVQWSVJDFE-UWJYYQICSA-N 426.358 5.512 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 541041721 GYQAOEWZSQYFCM-DNVCBOLYSA-N 449.498 5.563 30 20 IKED C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 541705557 ADUCKCKYFDRPRS-INIZCTEOSA-N 426.948 5.198 30 20 IKED C[C@H](NC(=O)N(C)Cc1nc(C(F)(F)F)cs1)c1ccc(-c2cccc(C#N)c2)cc1 542086862 XUWQKHGGQKMHCR-AWEZNQCLSA-N 444.482 5.603 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 543153724 PUKPOAHXAPQINF-UHFFFAOYSA-N 427.869 5.038 30 20 IKED CN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 543594734 PGZDOBZHZSKFKT-AHWVRZQESA-N 444.506 5.269 30 20 IKED CO[C@@H](C)CCC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 544012526 BIPGLKLVJQLGPX-SDBXPKJASA-N 425.291 5.259 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1sc([C@@H]2CCCOC2)nc1C 550961991 JQWYCNGWOXKTHV-HXUWFJFHSA-N 449.551 5.512 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cc(Cl)ccc1SC(C)C 552786955 HUHJLQRDWMMEGF-UHFFFAOYSA-N 429.973 5.089 30 20 IKED Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N5CCC(C#N)(c6ccccn6)CC5)(C4)C2)C3)cc1 554537071 FTUQICYLFKFIRQ-JZLQPTSESA-N 439.603 5.312 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)C(Cc3ccccc3)Cc3ccccc3)CC2)c(F)c1 561309082 RMXBAQAEYGISET-UHFFFAOYSA-N 442.534 5.169 30 20 IKED C=CCn1c(SCc2ccc(CC#N)cc2)nnc1-c1ccc(Br)cc1 576023232 IHVYKZZBEIUIQX-UHFFFAOYSA-N 425.355 5.252 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1)c1ccccc1 579276282 KBBMNOZMXKSIAM-AREMUKBSSA-N 439.559 5.063 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCC(c3c(OC)cc(OC)cc3OC)CC2)c1 589740986 OOPDQCKVVCGSII-UHFFFAOYSA-N 440.540 5.079 30 20 IKED COc1ccc(C(=O)CCCC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1 600330084 QDDYQGQNEVISLT-UHFFFAOYSA-N 444.506 5.601 30 20 IKED Cc1ccccc1-n1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cn1 601931394 LLLZAVRARDZIBB-OAHLLOKOSA-N 426.423 5.299 30 20 IKED Cc1c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)sc2nc(C(F)(F)F)ccc12 603557679 SRPNKGACBRIYLX-SECBINFHSA-N 435.496 5.934 30 20 IKED N#Cc1c(NC(=O)c2ccc(Br)cc2Cl)sc2c1-c1ccccc1CC2 603991856 DASUFEKJEQTYKS-UHFFFAOYSA-N 443.753 6.054 30 20 IKED Cc1nc(-c2ccccc2)sc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 603992315 QQEOGLKADMZMLJ-UHFFFAOYSA-N 427.554 6.070 30 20 IKED CC(C)[C@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)c1cccc(C(F)(F)F)c1 608843616 VRBWVKBBRFWSBW-QFIPXVFZSA-N 444.501 5.196 30 20 IKED CN(C)c1nc2sc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)cc2s1 609073724 UNOXJUJICXEKJQ-UHFFFAOYSA-N 434.546 5.127 30 20 IKED CCCN(C(=O)Cc1csc(-c2ccccc2Cl)n1)c1cc(Cl)ccc1C#N 609286238 OZVJRGKJRCOZIT-UHFFFAOYSA-N 430.360 5.974 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl 609359292 JALHCHWIEHRWJT-UHFFFAOYSA-N 425.863 6.254 30 20 IKED CC1CCC(OC2CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CC2)CC1 609374483 ZMYZLODCLZRXSI-UHFFFAOYSA-N 436.527 5.690 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccccc1Sc1ccccc1 609431120 SNCMNVUMTRDGHA-SFHVURJKSA-N 433.602 6.283 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccco3)Cc3cccs3)cc2)c1 609437022 LMVRZXPWXBBPAX-UHFFFAOYSA-N 429.501 6.239 30 20 IKED COc1ccc(Oc2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cn2)cc1 610186566 WUXHBBNHCJIJRK-UHFFFAOYSA-N 438.443 5.194 30 20 IKED Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 610319892 MSJZPZPXHOAXIP-BWKNWUBXSA-N 442.519 5.343 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@@H]2c2ccccc2Br)c1 610674486 TUWCOOZGSHKQEH-MRXNPFEDSA-N 436.256 5.291 30 20 IKED N#Cc1ccc(CSc2nnc(C3CC3)n2Cc2ccccc2)c(Br)c1 611491467 QKBBHOWNPYWXRW-UHFFFAOYSA-N 425.355 5.130 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccc(F)cc2)n1CC=C 619106389 QMZPTIGZUQYBHZ-MRXNPFEDSA-N 442.585 5.027 30 20 IKED O=C([C@@H]1CCCCC1(F)F)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517871 QEEQTLNVPNKPAE-LSDHHAIUSA-N 445.350 5.450 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3cnc(-c4ccc(C(F)(F)F)cc4)s3)[nH]c12 673812385 XAPGUAAICRHXPR-CQSZACIVSA-N 426.423 5.504 30 20 IKED O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674564018 PQKDKVCWGKQMHE-HUUCEWRRSA-N 438.318 5.836 30 20 IKED O=C(c1cccc(-c2c(F)cccc2F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 677418998 SQUIBNKKHZOLRC-ZIAGYGMSSA-N 437.330 5.835 30 20 IKED CN(C(=O)c1ccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1)c1ccccc1 677467740 FQONDFGNOGJWLM-LJQANCHMSA-N 429.476 5.202 30 20 IKED Cc1sc2nc(/C(Cl)=C\c3cccc(OCC#N)c3)nc(O)c2c1-c1ccccc1 727743539 BPWBLWTXGDTUHX-QGOAFFKASA-N 433.920 6.012 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccnc3SC(F)(F)F)cc2F)c1 728182753 GUHAAPKUNALPDF-UHFFFAOYSA-N 447.413 5.536 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 728268069 VJNIALBKCXBDRA-UHFFFAOYSA-N 447.498 5.586 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(OCc3cccnc3)cc2)c1 728494296 GTANHPZBDOPIQK-UHFFFAOYSA-N 435.483 5.364 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1 730397060 WTZMICZJERCSII-INIZCTEOSA-N 446.862 5.631 30 20 IKED N#C[C@H](C(=O)COc1cc(Cl)c(Cl)cc1Cl)c1nc2cc(F)ccc2s1 730417675 PCGHGMISADXZRX-SECBINFHSA-N 429.687 5.651 30 20 IKED N#C[C@@H](C(=O)CCSc1ccccc1Br)c1nc2cc(F)ccc2s1 730418530 WXCQOQVUYDWGGG-LBPRGKRZSA-N 435.343 5.557 30 20 IKED C[C@H](Sc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731065900 OXMVLSCJHJVBMZ-CABCVRRESA-N 448.997 5.397 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)c1nc2cc(F)ccc2s1 732597487 GFGWDNJUYDZMGG-YPAWHYETSA-N 442.515 5.994 30 20 IKED COc1ccc(C(=O)/C=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1Br 733083790 QPQOJJMLORWTGT-SREVYHEPSA-N 445.294 5.386 30 20 IKED N#CCOc1ccc(COC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)cc1 733407947 UKQLZRYXSNQHMF-UHFFFAOYSA-N 428.419 5.407 30 20 IKED COC(=O)Nc1cccc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 733623454 MZDNCPIUORAZDE-UHFFFAOYSA-N 430.464 5.154 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccc(Br)cc2)cc1 735365930 IWIFPWKTWFSGGT-QFIPXVFZSA-N 434.337 5.469 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cc1F 743238469 QGOJHXRXGBADOO-VWLOTQADSA-N 445.494 5.467 30 20 IKED Cc1c(NC(=O)c2ccccc2Sc2ccccc2C#N)cccc1N1CCOC1=O 743785614 KIWXNHPRLZQKNJ-UHFFFAOYSA-N 429.501 5.227 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)Nc1ccc2c(c1)OCCO2 745723937 GDFCNGIARRSSLD-UHFFFAOYSA-N 433.508 5.181 30 20 IKED CC[C@@H](C)Oc1cc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)ccc1OC 749444667 UXGMWTDUOQYHGW-QGZVFWFLSA-N 446.576 5.379 30 20 IKED C[C@H](N[C@H](CCC#N)c1ccccc1)c1cc(Br)cc(Br)c1O 756766667 ARKMIJKPJRLRPF-YVEFUNNKSA-N 438.163 5.613 30 20 IKED C#CC[C@H](NC(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1)c1ccccc1 757597061 JTKXPGSCRRHYHC-FQEVSTJZSA-N 437.337 5.226 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 758783103 RLJOTZDYRBFVAX-RXVVDRJESA-N 449.551 5.116 30 20 IKED CC(=O)OCCCc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 768430298 XSESEOQXLVIKGJ-UHFFFAOYSA-N 444.556 5.599 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCC(O)(c3ccccc3)CC2)cc1Cl 768587181 OSBWDWKPFJRZMP-UHFFFAOYSA-N 432.907 5.128 30 20 IKED Cn1ccnc1C(=O)[C@H](C#N)C(=O)c1cccc(CSc2c(Cl)cccc2Cl)c1 770875510 BDDNVIJWXWMPDY-OAHLLOKOSA-N 444.343 5.225 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1 772151723 AUGHNHRRBUYJHA-UHFFFAOYSA-N 444.491 5.274 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1 772258597 XIHKYOGBACOQLU-INIZCTEOSA-N 425.554 5.609 30 20 IKED COc1ccc([C@H](OC(=O)c2cn(CCCC#N)c3ccccc23)[C@@H](C)n2cccn2)cc1 774078521 AXVNIUTYBMYKFW-KBMIEXCESA-N 442.519 5.309 30 20 IKED C[C@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 777174058 MNZYXZCKMKSZRG-ZDUSSCGKSA-N 427.382 5.229 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)n1 779218676 QCAFQJGPWMZGAY-NQIIRXRSSA-N 431.561 5.148 30 20 IKED C=CCOc1ccc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)cc1OC 783086066 HXAZSJRMBIEREJ-UHFFFAOYSA-N 447.512 5.246 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2c(-c3ccc(Cl)cc3Cl)noc2C)c1 797875500 CAESMRKODCQSGD-MRXNPFEDSA-N 444.318 5.568 30 20 IKED CC(C)(C)OC(=O)NC[C@@H](NCCCC1(C#N)CCOCC1)c1ccc2ccccc2c1 799153636 BGMVKDOZEWLFTE-HSZRJFAPSA-N 437.584 5.096 30 20 IKED Fc1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)c(OCCC(F)(F)F)c1 799911572 GWPCLLJCTOKBBS-UHFFFAOYSA-N 442.356 5.864 30 20 IKED N#CC1(CCCOC(=O)[C@H](Sc2ccc(F)cc2F)c2ccccc2)CCOCC1 800163763 SKTDAKRDAMEFLF-OAQYLSRUSA-N 431.504 5.442 30 20 IKED COc1ccccc1O[C@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 806200526 GGLAXZOZZWYPGB-ZEQRLZLVSA-N 441.531 5.426 30 20 IKED N#C[C@H](C(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1)c1cc(C(F)(F)F)ccn1 813214137 TWBLDZVHPFXNFK-GHTZIAJQSA-N 430.426 5.949 30 20 IKED N#CC1(CC(=O)O[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)CC1 815416369 YNPGXHINOIDBMR-SFHVURJKSA-N 436.817 5.276 30 20 IKED CSc1nc(C2CC2)cc(-c2nc(-c3ccc(Oc4ccccc4)nc3)no2)c1C#N 904452402 HQONRGGKTSDUQO-UHFFFAOYSA-N 427.489 5.457 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 915199488 CXVXVWPDSWOCRF-HSZRJFAPSA-N 426.476 5.103 30 20 IKED N#CCOc1cccc(NC(=O)c2cccc(OCc3ccccc3Br)c2)c1 916410741 IWMOLVDKNRXQGS-UHFFFAOYSA-N 437.293 5.183 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCCCN3C(=O)c3cccs3)n2)cc1 916974609 NUFWOOSIMDMZHP-HKUYNNGSSA-N 435.574 5.051 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCNC(=O)OCc3ccccc3)n2)cc1 916977092 JDISJZIIFYQPIE-HXUWFJFHSA-N 433.533 5.001 30 20 IKED C[C@@H](Sc1ccccc1Cl)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042391 BHWNZYFTWNNWTD-PWSUYJOCSA-N 440.899 6.326 30 20 IKED COc1c(Cl)cc(Cl)cc1C=Nn1c(S)nnc1-c1ccc(OC(F)F)cc1 921257213 QXVIYLBQXSMQPO-UHFFFAOYSA-N 445.278 5.033 30 20 IKED COc1ccccc1-c1ccc(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@H](C)CC3)c(O)n1 1527165261 SCOSETZIAJUCGE-KGLIPLIRSA-N 433.533 5.334 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(N5CCCC5)c(F)c4)CCC3)cc2)C1 1785808512 HKXWGGMBDAJJJQ-UHFFFAOYSA-N 447.554 5.140 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccoc4)cc3)CCC2)c1Cl 1786749044 DCSRWVYLCSTPOJ-BJMVGYQFSA-N 445.906 5.266 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cccnc3C(C)(C)C)cc2)CCC1 1788335602 FSDAQCONSVBQJQ-UHFFFAOYSA-N 437.609 5.046 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3nccc4occc34)cc2)CCC1 1788340165 UJXCSJHFAUIYMK-FQEVSTJZSA-N 429.520 5.344 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c[nH]nc4c3)cc2)CCC1 1788446732 OPDYBTISNDZNBH-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4c(Cl)cncc4s3)CCC2)cc1 1791575203 ZZAGIJQVTKZQLU-GFCCVEGCSA-N 445.997 5.016 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)n[nH]1 1818868638 AVIOSLOPLCLGAO-XJRBWHPUSA-N 440.975 5.071 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccsc3[nH]2)n[nH]1 1821433696 MDKGPOKJZCENFH-IBGZPJMESA-N 437.569 5.027 30 20 IKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cc3cccc(F)c3)cc2)[nH]n1 1822405912 WXECGVCAIZZLLG-HSZRJFAPSA-N 446.526 5.022 30 20 IKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccccc2)C(C)C)CC1 1824533191 FEOFXKNHKAACAF-SGNDLWITSA-N 444.685 5.000 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCCCC2)CC1 1828903742 FIVOTKSOBYLLAJ-XMMPIXPASA-N 444.736 5.238 30 20 IKED Cc1c(Cl)cccc1Nc1nnc(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)s1 16323796 DJISLGZETAACPP-ZDUSSCGKSA-N 436.006 5.067 30 20 IKED C=CCn1c(SCc2cc(=O)oc3cc(C)c(C(C)C)cc23)nnc1-c1ccoc1C 21925505 NQZBMOVNMYZFLH-UHFFFAOYSA-N 435.549 5.863 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2C)nnc1-c1ccc(Cl)cc1 23553266 XOEQXIHRPGDGHH-INIZCTEOSA-N 426.973 5.062 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cccc(OCc4cccnc4)c3)c2)c1 107867124 XUYOSFILHUDGGF-UHFFFAOYSA-N 435.483 5.364 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC3(c4ccc(F)cc4)CCOCC3)cc2)c1 261398420 KBXZWOYISOUKAH-UHFFFAOYSA-N 431.467 5.317 30 20 IKED CC1CCC(N2C[C@@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)CC1 303317893 HEMZISMZAQKWOE-ZPGGLAACSA-N 441.984 5.067 30 20 IKED CC(C)n1cc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)nn1 428344704 CLTPBYBAFFJCGX-CYBMUJFWSA-N 434.306 5.290 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)CCCC(=O)Nc3ccccc3C#N)cn2)cc1C 432484331 URTPQSGEWCVKBU-UHFFFAOYSA-N 428.492 5.110 30 20 IKED N#Cc1cccc(C2(C(=O)Nc3cccc(CNC(=O)Nc4ccccc4Cl)c3)CC2)c1 435582516 AVGYGQFELJJRIF-UHFFFAOYSA-N 444.922 5.204 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)cc1 437379601 ZVOITYUAZNSNPN-INIZCTEOSA-N 447.394 5.236 30 20 IKED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 438383913 SKZJQPVCAKRRSP-UHFFFAOYSA-N 439.357 5.108 30 20 IKED N#CCC[C@@H](NC(=O)C(=O)Nc1ccccc1Oc1ccc(Cl)cc1)c1ccccc1 439461124 YZWXOMKGTQXRSN-HXUWFJFHSA-N 433.895 5.232 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2csc3ccccc23)cc1Cl 440525577 VMSVYEZQCDMDMG-IBGZPJMESA-N 445.931 5.787 30 20 IKED CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccc(C)cc1 441601620 UKYFRRMLUCXTTA-OAQYLSRUSA-N 431.467 5.004 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CNC(C)(C)Cc1ccc(C(F)(F)F)cc1 442776368 DHIYPGGHFPSXQZ-MRXNPFEDSA-N 449.542 5.507 30 20 IKED CCN([C@H](c1ccc(Cl)cc1)c1cccnc1)S(=O)(=O)c1cccc(Cl)c1C#N 443357631 ZUDRPRCLVDXVCF-OAQYLSRUSA-N 446.359 5.060 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H](Oc2ccccc2Cl)C1 443637786 CAOPANQBJNLKIS-MSOLQXFVSA-N 444.000 5.074 30 20 IKED C=CC[C@@H]1N(C(=O)Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)CCCC1(C)C 444897839 NXNMGGWPAGSYET-QHCPKHFHSA-N 440.609 5.400 30 20 IKED C=CC[C@H]1N(C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)CCCC1(C)C 444901870 VPPSADDOEHRNMF-JOCHJYFZSA-N 442.581 5.481 30 20 IKED COc1ccc([C@@H](Cc2ccccc2)NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1 462345308 GVHHQKMJINCGRZ-AREMUKBSSA-N 425.532 5.225 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1C 465462971 MXFQCNUHRGNQDU-ICSRJNTNSA-N 432.490 5.179 30 20 IKED COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)N(C)Cc2cccc(C#N)c2)c1 466051003 OSWDWBMTOXWLJF-SANMLTNESA-N 427.548 5.309 30 20 IKED CN(C)[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)c1c(F)cccc1Cl 468929425 JHXHUVJHQAPFOJ-HSZRJFAPSA-N 437.902 5.171 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)CCC(=O)c3csc4ccccc34)ccc21 469952504 ICAINYSZIPVIBO-UHFFFAOYSA-N 445.544 5.086 30 20 IKED Cc1nc(-c2cccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c2)n[nH]1 474494229 USGFTQFFOMLLBD-OAQYLSRUSA-N 427.895 5.341 30 20 IKED N#CC[C@@H](CC(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1)c1ccccc1 475524831 IIWJQWQGWJHQAE-PMACEKPBSA-N 434.927 5.184 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)cc1 475648796 VCVDSFVTPHQACV-HXUWFJFHSA-N 440.547 5.446 30 20 IKED N#CCCN(C(=O)c1ccc(Sc2ccc(Cl)cc2)o1)c1ccc2c(c1)OCCO2 476231712 MPMLKJRYJRXQQF-UHFFFAOYSA-N 440.908 5.416 30 20 IKED CCN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 480378549 OOOJFUWSLPVAFE-JOCHJYFZSA-N 429.476 5.044 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ccc(Br)s2)n1)c1cnc2ccccc2n1 483191191 DIHRUNXOTKTOMC-SNVBAGLBSA-N 441.335 5.067 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccc(F)cc1Br 484154702 DCMJYWLKBWIVNZ-ZDUSSCGKSA-N 436.350 5.504 30 20 IKED COCc1ccccc1NC(=O)c1sc(-c2ccc(OCC(C)C)c(C#N)c2)nc1C 486939854 HBHZBBIXOQHEJP-UHFFFAOYSA-N 435.549 5.424 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)nnc1-c1ccccc1C 488925919 MYYXUDZJXUIMIP-MRXNPFEDSA-N 442.535 5.029 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)s2)cc1 491502283 LILXGMPOBHKEII-ZIAGYGMSSA-N 426.489 5.009 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H](CN2CCCCCC2)C1 491722501 QUBIANFKCIJQNT-QHCPKHFHSA-N 446.595 5.779 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 494544203 NRMIEZRVTQOSRA-KRWDZBQOSA-N 432.907 5.546 30 20 IKED CC1(C)CN(C(=O)c2cccc(SCC#N)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 497853559 OSYWUQUVYMCDSL-LJQANCHMSA-N 434.483 5.313 30 20 IKED N#Cc1ccsc1C(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 497984577 ZHAUSRNHVQBWGV-KRWDZBQOSA-N 426.423 5.034 30 20 IKED CC1CCN([C@@H](CNCc2cn(CCC#N)nc2-c2ccccc2)c2ccccc2)CC1 500139131 XQXGFPWJMAOYLP-SANMLTNESA-N 427.596 5.027 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F 500899184 VFDJGORKNLYYGZ-PZJWPPBQSA-N 436.474 5.215 30 20 IKED Cc1cc(-c2cc(C(=O)N(CCC#N)Cc3ccco3)c3cnn(C(C)C)c3n2)c(C)s1 502543557 AOWZIADDDJKUTD-UHFFFAOYSA-N 447.564 5.507 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Nc3ccc(NC4CCOCC4)cc3)cc2)cc1 502593955 IISZVPRYALNRLG-UHFFFAOYSA-N 428.492 5.585 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H](c4ncc5n4CCCC5)C3)c2)cc1 503122996 RDCBIJKNRSEJJF-FQEVSTJZSA-N 441.535 5.295 30 20 IKED C=CCCc1ccccc1NC(=O)NCCC(=O)Nc1cc(Br)ccc1C 505017818 ZSSXOZSZYVYUHS-UHFFFAOYSA-N 430.346 5.026 30 20 IKED C=CCCc1ccccc1NC(=O)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 505046274 RFKRAJWTESHJOD-SFTDATJTSA-N 426.507 5.216 30 20 IKED N#C[C@@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1cccc(Cl)c1Cl 505314269 MSBKLMXMEUTDJV-MRXNPFEDSA-N 430.316 5.302 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 508260974 VSGZMTSKANENEI-HNNXBMFYSA-N 432.436 5.150 30 20 IKED CC1(C#N)CCN(C(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 509408369 YFGNOFVZMKRUST-UHFFFAOYSA-N 449.454 5.531 30 20 IKED Cc1ccc([C@@H](N[C@H](C)c2ccc(C#N)cc2F)c2cccc(S(C)(=O)=O)c2)c(C)c1 512665045 CYIHRMHVSLEVQF-CJAUYULYSA-N 436.552 5.158 30 20 IKED N#Cc1c(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)sc2c1-c1ccccc1CC2 515623845 BBLBNCITUGHFEJ-IBGZPJMESA-N 430.529 5.195 30 20 IKED Cc1ccc([C@@H](C)N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c(C)c1 515795083 CSMNVPOOBRGAOH-LJQANCHMSA-N 426.520 5.652 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCCOc1cccc(Br)c1 517455590 ULLBPABSBSMQNC-HNNXBMFYSA-N 433.371 5.499 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(OCc4ccc(F)cc4)c3)cc2)nc1 517654204 ZAHCHOUQLFAWFU-UHFFFAOYSA-N 439.446 5.716 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccccc3CN3CCc4ccccc43)cc2)nc1 520324117 CMSNKHILQMCYRD-UHFFFAOYSA-N 446.510 5.561 30 20 IKED C[C@@H](C#N)CN(C)C(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F 523367121 NSIIDYFPSONROI-LBPRGKRZSA-N 427.373 5.077 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)c1 523852802 VGMNSQZKMBGLBQ-UHFFFAOYSA-N 435.487 5.052 30 20 IKED C=CCN(CCc1ccccc1)C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 523910291 IEVLLYZGNIEGDZ-WJOKGBTCSA-N 432.589 5.398 30 20 IKED COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 524391926 JZUDGOQDTGIMSU-QGZVFWFLSA-N 446.528 5.043 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)cc1C 525393796 XMOHBLRNNSLYJD-DYESRHJHSA-N 436.918 5.159 30 20 IKED N#C[C@@H](NC(=O)CCCCc1nc2ccccc2s1)c1ccc(OC(F)(F)F)cc1 531354435 JSUBTMHSGNWTOR-QGZVFWFLSA-N 433.455 5.289 30 20 IKED O=C(Nc1cc(F)ccc1OCC(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 531461198 KKRTZTIFWCYIQN-UHFFFAOYSA-N 442.253 5.115 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)nc(-c2ccc(Cl)cc2)n1 533955922 ZJLIFYSTXQWUTQ-HNNXBMFYSA-N 437.837 5.340 30 20 IKED C=C[C@@H](CC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 536183467 FLKGSNCLYUFVGX-INIZCTEOSA-N 431.363 5.530 30 20 IKED N#C[C@@H](C(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1nc2cc(Cl)ccc2s1 536204934 SSCUABIDQRWWDJ-SFHVURJKSA-N 431.904 5.692 30 20 IKED CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 540545812 UKWKTKDLPBUVHD-CJAUYULYSA-N 447.510 5.368 30 20 IKED C[C@@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)c1ccc(-c2cccc(C#N)c2)cc1 541072475 CRVVTNFDZJLJPA-LJQANCHMSA-N 436.515 5.475 30 20 IKED Cc1cc(C)cc([C@@H]2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)c1 541434999 ABEVJLZLKWNXEG-HSZRJFAPSA-N 439.559 5.970 30 20 IKED CCCc1c(NC(=O)c2ccccc2Oc2ccccc2C#N)cnn1-c1cc(C)ccn1 545489307 NJBYEMQEMNJRSR-UHFFFAOYSA-N 437.503 5.445 30 20 IKED CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2ccc(C#N)c(Cl)c2)c1 548607446 XOQFGDAZJDVHCQ-QGZVFWFLSA-N 431.923 5.574 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N(C)CCc1nccs1 549690409 BIIQPKBXEONVRY-UHFFFAOYSA-N 445.592 5.236 30 20 IKED CC(C)(c1noc(-c2ccc(S(=O)(=O)CCCC#N)cc2)n1)c1cccc2ccccc12 551119715 JDXGADUMDPYISG-UHFFFAOYSA-N 445.544 5.293 30 20 IKED N#Cc1cnn(-c2ccc(C(=O)Nc3ccc(Sc4ccc(Cl)cc4)cc3)cc2)c1N 552553334 LITPYZZBQSASPY-UHFFFAOYSA-N 445.935 5.383 30 20 IKED C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC2(CCOCC2)[C@@H]1C 554931420 AKNOSBUIHUHOOI-NRFANRHFSA-N 444.579 5.106 30 20 IKED Cc1c(Cl)cccc1N1CCCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 560230682 BUZKEUADKDMMNM-UHFFFAOYSA-N 434.971 5.259 30 20 IKED C[C@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 561442734 COHAWVAPXIJYBF-JTSKRJEESA-N 446.469 5.115 30 20 IKED CCO[C@H](c1noc(-c2csc(C(F)(F)F)n2)n1)c1ccc(F)cc1C(F)(F)F 567963918 SXDKAXFLYIRXPN-NSHDSACASA-N 441.328 5.496 30 20 IKED COc1ccc(Br)cc1-c1noc(-c2cc(C3CC3)nc(SC)c2C#N)n1 570284329 GGUOWTXYVTVCHS-UHFFFAOYSA-N 443.326 5.041 30 20 IKED COc1cccc(CN(C)C(=O)Nc2cccc(C#N)c2C)c1OCc1ccccc1F 570415178 VLDBPUAICATLLW-UHFFFAOYSA-N 433.483 5.257 30 20 IKED COCCCC[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccccc1 570733561 PUYKBFIJEKETES-DEOSSOPVSA-N 430.508 5.425 30 20 IKED CN1CC[C@H](CNCc2ccc(C#N)cc2C(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 578404086 DIMKHPYUHDQLPG-OXQOHEQNSA-N 425.857 5.152 30 20 IKED C=CCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 579042782 XZGRIQNIKVWVGT-HXUWFJFHSA-N 431.565 5.037 30 20 IKED N#Cc1ccc(F)c(CSc2nnc(Cc3cccs3)n2CCc2ccccc2)c1 585789732 GZCYFZOJACDETG-UHFFFAOYSA-N 434.565 5.476 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCc1csc(C(C)C)n1 588306416 UETKDDMTVKZJDC-UHFFFAOYSA-N 440.382 5.108 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NC[C@@H]3CCN(c4ccc(Cl)cc4)C3)cc2)ccn1 589367328 XTVMJUVSXBPHKU-KRWDZBQOSA-N 447.926 5.047 30 20 IKED CC[C@@H](C)Sc1ccc(NS(=O)(=O)c2cccc(CC#N)c2)c(C(F)(F)F)c1 589586772 AKGKCPNEXQJSAV-CYBMUJFWSA-N 428.501 5.463 30 20 IKED C=CCn1c(Sc2nc(C(F)F)nc3ccccc23)nnc1-c1ccc(OC)cc1 595527172 YHXIUTRXUYKCOA-UHFFFAOYSA-N 425.464 5.172 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H](CCCc2ccccc2)c2ccccc2)cc1 603706519 QNCUVHMXLKHIDB-RUZDIDTESA-N 439.559 5.307 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)s2)cc1 603764858 OOKVTCZBTIWIGU-UHFFFAOYSA-N 442.500 5.438 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCCCOCC(F)(F)F)cc2Cl)cc1 604089509 CAZXWMFFKNAUOX-UHFFFAOYSA-N 427.810 5.094 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CSCc3cc(-c4cccs4)on3)cn2)cc1 604508958 CIUKPGQPOUTLBX-UHFFFAOYSA-N 448.529 5.334 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(OCc2ccncc2)cc1 606777902 IANXNWUHYJUOCD-UHFFFAOYSA-N 428.410 5.497 30 20 IKED C=CCN(C(=O)c1cccc(C(=O)NC)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 607774092 MTORYRUZRVMFSF-UHFFFAOYSA-N 446.359 5.309 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1oc2ccccc2c1COc1ccccc1Cl 608806096 JNYNYQJKABRGHY-UHFFFAOYSA-N 432.863 5.798 30 20 IKED COc1cc(CN(C)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)ccc1OC(F)F 609125753 NSWWGWMODLJVCO-UHFFFAOYSA-N 438.430 5.233 30 20 IKED N#CCCSc1ccccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 609723888 JZXFVSHCAZOHKN-UHFFFAOYSA-N 433.920 6.262 30 20 IKED C[C@@H](CC(=O)N[C@@H](C#N)c1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 609986258 DUEPEOIRNNDJDD-SJCJKPOMSA-N 425.248 5.343 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)cc1 610075416 LZMCLABHMGRIHZ-HSZRJFAPSA-N 445.494 5.120 30 20 IKED CC(C)(C)OC(=O)CSCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 610152815 LFOIZFANLJMSEE-SFHVURJKSA-N 430.957 5.009 30 20 IKED Cc1cc(-c2cc(C(=O)N[C@H](C)c3cccc(C#N)c3)c3cnn(C(C)C)c3n2)c(C)s1 610362216 MCLZDUKXTNRYOZ-MRXNPFEDSA-N 443.576 5.720 30 20 IKED N#Cc1c(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)sc2c1CCC2 612539713 KEFZYEQUYVSMDX-UHFFFAOYSA-N 429.423 5.567 30 20 IKED Cc1ccc(-n2ncc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2C)cc1 613404882 PYTVADHDFRCROP-MRXNPFEDSA-N 440.450 5.608 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)s1 614425523 KLABWFHXPKJUKQ-UHFFFAOYSA-N 425.623 5.434 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)nnc1-c1cccc(C)c1 617941940 DDAYGOCMWQUVSF-HKUYNNGSSA-N 438.622 5.345 30 20 IKED Cc1c(F)cccc1NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 673687870 XWBKCBBCPVSAIZ-UHFFFAOYSA-N 431.311 5.610 30 20 IKED C=CCn1c(SCC(=O)N(Cc2ccco2)c2ccccc2)nnc1-c1ccc(F)cc1 677646291 LRHRUTFGYQCRHH-UHFFFAOYSA-N 448.523 5.189 30 20 IKED C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 679595799 FTIYSCBQSFXLKM-LVEVGFFFSA-N 428.339 5.268 30 20 IKED C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)Nc1ccc(C(F)(F)C(F)(F)F)cc1 681142088 PKSXYMTVVYPAGL-NSHDSACASA-N 440.334 6.189 30 20 IKED COc1ccc(-c2ocnc2C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 685143464 CGLUJXSFYBFFKS-AWEZNQCLSA-N 437.427 5.242 30 20 IKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)OC[C@H](C#N)Cc3ccc(F)cc3)c12 726328857 NABPSLMVVSNJBE-INIZCTEOSA-N 433.414 5.016 30 20 IKED FC(F)(F)COc1ccc(NN=Cc2cn(-c3ccccc3)nc2-c2ccncc2)cc1 727262499 SKOHUFJYSAAZQX-UHFFFAOYSA-N 437.425 5.321 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(OCC(C)C)cc2)cs1 728158384 YXBNOAYPSDFCSZ-JYRVWZFOSA-N 438.524 5.898 30 20 IKED CC(C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728298560 GNHOHFAJJAHEAU-GOSISDBHSA-N 431.511 5.839 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3cc(Br)cnc3Cl)c2)cc1 729375979 ZEGFGMBKRGONBU-UHFFFAOYSA-N 428.673 5.414 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C/c2cnn3ccccc23)C(=O)c2ccccc2)c(Cl)c1 729644532 XLBSRDPDKGHNIJ-XSFVSMFZSA-N 429.907 5.510 30 20 IKED COc1ccccc1[C@H]1CCCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 730061114 PDCWLNHBBQKEIO-JWQCQUIFSA-N 425.532 6.110 30 20 IKED COc1cc(CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C2CC2)ccc1O 731280339 JZZRLJNGGPPZJT-HSZRJFAPSA-N 427.504 5.253 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cccc(N2CCOC2=O)c1 731400259 MKAXPIDUXBNCLB-QGZVFWFLSA-N 442.475 5.190 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1 732956565 WDIIPGUHLIPSQU-RMMRYSJTSA-N 447.494 5.345 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(-c3nc(C)cs3)cc2)ccc1OC 733631378 AIPZWFQPVKBPCI-IBGZPJMESA-N 436.537 5.130 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cccc(CN3CCOC3=O)c2)c1 735002055 RFLLYRBHVSRALI-UHFFFAOYSA-N 447.878 5.208 30 20 IKED CC(C)OC(=O)NCc1ccc(NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 735173595 KPVFGKBOOXMOAN-MRXNPFEDSA-N 426.542 5.217 30 20 IKED CC(=O)Nc1cccc(Nc2nnc(SCc3cc(Cl)ccc3OCC#N)s2)c1 735230483 MFOMTGQIDUCYQT-UHFFFAOYSA-N 445.957 5.088 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCCCC[C@H]2c2cccc(C)c2)ccc1OC 735579509 FNLSKXHBZIKAGJ-GOTSBHOMSA-N 435.568 5.512 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(Nc3ccc(C)nn3)c2)cc1 737322823 KKPPBKDOAVTFPO-AOMKIAJQSA-N 427.508 5.003 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740022273 HNPJGFPIMRCJDU-UHFFFAOYSA-N 427.533 5.411 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nc(-c2cccc(F)c2)no1 743097946 YXRGGGSLQXPPPX-OPAMFIHVSA-N 441.466 5.414 30 20 IKED CC(C)n1cc(Br)cc1C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 744032114 CLPHSJNAYMKASV-CQSZACIVSA-N 443.128 5.099 30 20 IKED C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1C(F)(F)F 744034021 YEWAQLYAMGSKLT-BMIGLBTASA-N 429.225 5.463 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@]3(C)CCCN(C(=O)c4ccccc4)C3)n2)cc1 744036262 YUVDIYSQYJHYGN-HFZDXXHNSA-N 443.572 5.237 30 20 IKED C[C@H](OC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nc(Cc2ccccc2)no1 745038232 DRCRTORTNLNIAL-SFHVURJKSA-N 439.471 5.029 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2cc(C3CC3)nc3ccc(F)cc23)cc1 745594451 SKYYVGJPKRPEIR-KRWDZBQOSA-N 445.494 5.052 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)/C=C\c1cnc(C(C)(C)C)s1 745676895 JTXBZYNNBKUNSZ-KVPUOBJLSA-N 443.594 5.030 30 20 IKED N#C[C@@H](C(=O)CCCOc1ccccc1Cl)c1nc(-c2c(F)cccc2F)cs1 748007299 JPNJALBBJRFDMA-ZDUSSCGKSA-N 432.879 5.777 30 20 IKED CCN(C)c1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1 748442898 ZHDZOEMKFVGNIK-NTEUORMPSA-N 439.968 5.833 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)c1 758273628 YJVIDASPQGTPNO-NRFANRHFSA-N 440.503 5.421 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1c[nH]c2ccc(C#N)cc12 760227077 QWSXYSKJXOBLFN-UHFFFAOYSA-N 443.919 5.322 30 20 IKED CCCc1cc[n+](/C(C(=S)Nc2cccc(C(C)C)c2)=C(/O)c2ccc(C#N)cc2)cc1 762440438 MGRAJCNRISAEAL-UHFFFAOYSA-O 442.608 6.245 30 20 IKED C=CCCC(=O)CSC1=N/C(=C/c2cccs2)C(=O)N1c1ccc(OC)c(Cl)c1 762468399 WDQDQNXZSXTYAZ-LDADJPATSA-N 446.981 5.422 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2cnn(-c3cc(C)ccc3C)c2C)ccc1OC 772987441 VQIPBPVYORFIBE-KNQAVFIVSA-N 432.568 5.338 30 20 IKED C[C@H](N[C@H](c1ccccc1)c1ccc(Br)cc1F)c1ccc(OCC#N)cc1 776160152 MCZDYQZAPHTJMZ-QMHKHESXSA-N 439.328 5.931 30 20 IKED N#C[C@@H](C(=O)CCCCC(=O)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 783357562 IIXFGKMVULQHAW-INIZCTEOSA-N 430.451 5.935 30 20 IKED CC(=O)c1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 783363094 BGQSURCGMHUYPY-QGZVFWFLSA-N 440.471 5.326 30 20 IKED CC[C@@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccccc1 787030493 FHOJLMDEJSDHFS-JTHBVZDNSA-N 441.462 5.080 30 20 IKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)[C@@H](C#N)c1nccc2ccccc12 792095057 UEWSVADCRRKFKT-HXUWFJFHSA-N 449.341 5.763 30 20 IKED COc1ccccc1-c1csc(C2CCN(Cc3ccc(N(C)CCC#N)cc3)CC2)n1 792198570 AABVTPOTLDFXDC-UHFFFAOYSA-N 446.620 5.548 30 20 IKED O=C(/C=C\c1cscc1Br)c1ccc(S(=O)(=O)C2CCCC2)cc1 794703175 SVVLGLHHXYQFCQ-YFHOEESVSA-N 425.369 5.123 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)[C@@H]1OCCc2sccc21 796760543 AKRWTHPIHSXGCL-RRBXVBTKSA-N 428.966 5.651 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 797570061 CBXURUPJHQCKMO-IEZWGBDMSA-N 441.597 5.519 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)cc1C#N 799222784 IZNQZIQWRRHYKY-UHFFFAOYSA-N 444.894 5.273 30 20 IKED N#C[C@@H]1C(CN[C@@H](c2c(Cl)cccc2Cl)C2CC2)=CC(=O)n2c1nc1ccccc12 810023300 IHVGJFAXWWIVTO-IVZQSRNASA-N 437.330 5.271 30 20 IKED CC(C)c1cccc(C(C)C)c1NC(=S)Nc1ccc(Oc2ccnc(C#N)c2)cc1 811707683 IEPIVAIBKVNVRQ-UHFFFAOYSA-N 430.577 6.801 30 20 IKED C#C[C@H](NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C)c1ccc(F)cc1 812751921 NZNQZJDGWABZAA-SFHVURJKSA-N 426.900 5.206 30 20 IKED COC(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 812922448 JTVCHJWUTROCCC-UHFFFAOYSA-N 434.879 5.024 30 20 IKED N#Cc1cc(N[C@@H](Cc2ccccc2Cl)c2cccs2)ccc1N1CCC(O)CC1 813862209 KGOYCPCZQLBGQM-QFIPXVFZSA-N 437.996 5.630 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1ccccc1OCc1ccc(F)cc1 816182535 LRXFRSNFEDRIHG-SFHVURJKSA-N 448.494 5.231 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1Sc1ccc(C(F)(F)F)c(Cl)n1 913409200 WWBHNVVKEKYCKB-UHFFFAOYSA-N 444.841 5.401 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3c(cnn3-c3ccccc3)C2)cc1 915359377 RAXMJCIZPWYUGU-RUZDIDTESA-N 433.515 5.118 30 20 IKED CC[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1 915752668 MLDYULMCQOJZMP-PKTZIBPZSA-N 431.923 5.201 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc2c(Cl)cccc2s1 916886742 JPZZIGMJKSRSQD-CYBMUJFWSA-N 436.892 5.831 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCc1ccc(-c2ccccc2F)o1 916902036 BKBWIEQQVUOESJ-OAQYLSRUSA-N 432.495 5.491 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c1=S 917475901 AZVNPGFCQMDHQG-LJQANCHMSA-N 446.407 5.763 30 20 IKED CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 918034702 VUWRBIVQIRMDJE-SANMLTNESA-N 449.558 5.829 30 20 IKED COc1ccc(C(=O)c2c(NC(=O)c3ccccc3OCC#N)sc3c2CCCC3)cc1 919987507 XOHQZEGXWWPIHO-UHFFFAOYSA-N 446.528 5.021 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CSCc1ccc(Cl)cc1Cl 920103848 DRZUANVSMSWMTQ-INIZCTEOSA-N 431.344 5.608 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)OC[C@H](C#N)Cc3ccc(F)cc3)c12 920877171 GBHUVDLKLBOTDX-SFHVURJKSA-N 436.531 5.297 30 20 IKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)on3)CCC2)cc1 1786389890 SZTIJODUXODZTJ-JOCHJYFZSA-N 449.576 5.044 30 20 IKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)ccc4[nH]3)CCC2)cc1 1786394244 YJWPQXNTRHNIDJ-NRFANRHFSA-N 439.556 5.009 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCc3cncc(OC)c3)cc2)CCC1 1786841458 MFWLIBTYYZLOFK-UHFFFAOYSA-N 449.595 5.149 30 20 IKED C[C@]1(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)CC1(F)F 1790084203 ZPEZYSLOMNDNNC-OAQYLSRUSA-N 443.881 5.005 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccsc4)CCC3)cc2)c1 1790255925 FELWJMPKOZGXPD-UHFFFAOYSA-N 429.545 5.000 30 20 IKED Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)S)CCC3)cc2)cc1 1790692157 LINQHUIWOZZYEM-LJQANCHMSA-N 447.604 5.160 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1)C(F)(F)F 1791305766 TXSOMLHOBGXLCW-OAHLLOKOSA-N 441.453 5.180 30 20 IKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(Cl)cc3C)C2)CC1 1805082370 IEDWQCZEZVKJEP-UHFFFAOYSA-N 429.004 5.262 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@H](C)Sc3cccs3)CC2)C1 1805456933 NRVQOIZPGTUMFB-IBGZPJMESA-N 446.682 5.228 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccnc3ccccc23)n[nH]1 1818441491 UJAIBFCJOGJIJG-QFIPXVFZSA-N 445.567 5.256 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c(C(C)(C)C)c2)[nH]n1 1819303635 MABWCGOPJIJJME-ICSRJNTNSA-N 437.588 5.110 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc3ccccc23)CC1 1827997564 UBAKQBGGTORCMW-VWLOTQADSA-N 447.623 5.461 30 20 IKED Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1830005534 UDEDQXFJHKYDJR-RLWLMLJZSA-N 443.591 5.169 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1831370852 XAQZGXNAAFPNMM-LVXARBLLSA-N 447.623 5.436 30 20 IKED CC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 1831696037 JLTLHEHRYUUOLB-OPXMRZJTSA-N 435.612 5.008 30 20 IKED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc3c(ccc4ncccc43)s2)C1 1844638619 ILYJMUORNWKUIX-UHFFFAOYSA-N 447.604 5.259 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(CC)cc2)cc1 10173542 FSCRDYJDWZXXSI-UHFFFAOYSA-O 431.625 6.157 30 20 IKED C=CCn1c(SCC(=O)c2ccccc2F)nc2scc(-c3ccccc3)c2c1=O 21142621 KYZOZIMYOAETJZ-UHFFFAOYSA-N 436.533 5.425 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(SC)cc2)nc2cc(Cl)ccc2c1=O 21831604 UYSOZJQWXUUKOR-ZDUSSCGKSA-N 445.997 5.077 30 20 IKED C=CCn1c(SCc2csc(-c3ccc(OCC)cc3)n2)nnc1-c1ccoc1C 22091115 LUWQZAADXYUCDN-UHFFFAOYSA-N 438.578 5.847 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)s1 22730108 VFUBQSPWTYQRNI-UHFFFAOYSA-O 443.617 5.986 30 20 IKED COc1cc(CN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)ccc1SC 58642437 QVJPAVNLYGFRFM-UHFFFAOYSA-N 433.533 5.745 30 20 IKED C[C@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 72030890 YFUJEFMDPGBHQN-AWEZNQCLSA-N 436.855 5.351 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)cc1OC 107626785 SMPQHZYQFMYYHA-UHFFFAOYSA-N 426.488 5.170 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)cc1 111020620 PEWKKYFPYZVJIN-UHFFFAOYSA-N 439.519 5.077 30 20 IKED Cc1ccc(CNCc2cn(CCC#N)nc2-c2ccccc2)c(OCC(F)(F)F)c1 237784046 MFQCDPMPMPCADT-UHFFFAOYSA-N 428.458 5.003 30 20 IKED C#CCOc1ccc(F)cc1NC(=O)c1ccc(COc2ccc(Br)cc2)o1 303943037 ROTLCCLLJLCVRZ-UHFFFAOYSA-N 444.256 5.025 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(c2ncccc2Cl)CC1 429775675 XTFGYOTVJYQALA-UHFFFAOYSA-N 446.938 6.119 30 20 IKED COCCNc1ccccc1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 431514665 SJVFZZQKMJDZMN-JOCHJYFZSA-N 448.954 5.375 30 20 IKED N#CCCn1cc(CNC[C@H]2CC3c4ccccc4C2c2ccccc23)c(-c2ccncc2)n1 433302035 HYUFTIUCUAKOLN-YMDIGOJVSA-N 445.570 5.246 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 436348037 ZNPFDTDCKMXJAC-NQIIRXRSSA-N 449.963 5.566 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2cccc(C)c2C)cc1 437848505 UIARZCJNRGCBTK-RUZDIDTESA-N 431.580 5.877 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 438633277 BQSSWKRLGFINOS-UHFFFAOYSA-N 434.927 6.089 30 20 IKED COc1ccccc1C[C@@H](C)N(Cc1ccccc1)Cc1nnc(-c2cccc(C#N)c2)o1 441550501 LOXHSOBMRYYAMV-HXUWFJFHSA-N 438.531 5.250 30 20 IKED CC(C)c1nn(C)c2sc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc12 442681968 JEWQBLBPRXKOQN-OAHLLOKOSA-N 440.981 6.025 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)c1C#N 444546894 IPDBZPPKEGYORP-UHFFFAOYSA-N 429.549 5.005 30 20 IKED COc1cc([C@H](C)NCCC(C#N)(c2ccccc2)c2ccccc2)cc(OC)c1OC 444690178 RGOPUBJOOHJIBK-FQEVSTJZSA-N 430.548 5.263 30 20 IKED C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446629954 XAGIBBPNSLKTIQ-UOBYYGQQSA-N 440.975 5.130 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3cc(Cl)ccc3OC[C@@H]3CCCCO3)on2)c1 447605678 JTHBSPLGCFXEJZ-SFHVURJKSA-N 437.883 5.067 30 20 IKED C=C(C)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1 460564799 GGNZCLILRJEEGN-LAUBAEHRSA-N 441.501 5.446 30 20 IKED C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CC=C(c2ccc(O)cc2)CC1 460785997 HYJCXXNVLLMWFD-UHFFFAOYSA-N 448.592 5.154 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1 461654934 MXSLJRJILGTWNC-AWEZNQCLSA-N 426.398 5.122 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)cc1Cl 462274434 REKYJPYLOPQPRH-QQKQFIJSSA-N 445.950 6.037 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)CCc1nc2cc(Br)ccc2s1 463515544 QVDLYHNLERBSAL-UHFFFAOYSA-N 440.366 5.078 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 463735414 LEVCFFWRZRWATB-QGPMSJSTSA-N 444.398 5.911 30 20 IKED CCc1ccc(N(C(C)=O)c2nc(CSc3ccc(C#N)cc3Cl)cs2)cc1 465389065 QHYJLCZMQOCHJM-UHFFFAOYSA-N 427.982 6.207 30 20 IKED Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1 466940223 WIGYVGYWDLBWGF-UTKZUKDTSA-N 447.457 5.097 30 20 IKED O=C(N[C@H]1CCSC1)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 468011588 LCLKGAZNUDJLNO-WDEREUQCSA-N 440.331 5.132 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1ccc(F)cc1 468651831 NEMRLGICRJOHCF-INIZCTEOSA-N 435.528 5.790 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 471288273 QCNHMQVGZRBCKW-UHFFFAOYSA-N 433.531 5.421 30 20 IKED Cc1c(C#N)c(NC(=O)CCN2CCCCC[C@H]2c2ccco2)n(Cc2ccco2)c1C 472240544 KKDKZWYIVOMIEQ-QFIPXVFZSA-N 434.540 5.157 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)n1 474428332 AFHKSVQJASKKDZ-OAHLLOKOSA-N 437.525 5.205 30 20 IKED CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)C[C@H](CC#N)c2ccccc2)c1 474592646 IGOSQICCHQBLHJ-RLWLMLJZSA-N 439.559 5.822 30 20 IKED C=CCn1c(SCc2nc(-c3c(F)cccc3F)cs2)nnc1-c1ccccn1 478825790 QNIBHJAPXRDVRZ-UHFFFAOYSA-N 427.505 5.220 30 20 IKED C=C(C)Cn1c(S[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccncc1 481353200 WUBCILDHGXFHPJ-CQSZACIVSA-N 438.944 5.473 30 20 IKED COc1ccc([C@H](CNC(=O)Nc2ccc(F)c(C#N)c2)c2c[nH]c3ccccc23)cc1 481738981 KSWBVSMFEBQUCN-NRFANRHFSA-N 428.467 5.141 30 20 IKED CCc1c(NC(=O)CSCc2ccc(C#N)cc2)cnn1-c1ccc(C(F)(F)F)cc1 481862442 DEDUUQXTDNKZAA-UHFFFAOYSA-N 444.482 5.197 30 20 IKED Cn1ccnc1C[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 483004748 DWYKLQDGCSNYMF-GOSISDBHSA-N 449.942 5.224 30 20 IKED Cc1c([C@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)C(C)C)oc2ccccc12 483307101 GCWITVKDWBZSEI-OPAMFIHVSA-N 449.576 5.445 30 20 IKED CCCNC(=O)c1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1Cl 483441842 TZPCCJHZUVDHQT-UHFFFAOYSA-N 433.895 5.396 30 20 IKED CC(C)(CCC#N)CNC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F 484820335 CBBFARPOJNZBTO-IBGZPJMESA-N 432.337 5.307 30 20 IKED CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)c12 487444927 NISXXTSIZLUSJX-UHFFFAOYSA-N 443.532 5.395 30 20 IKED COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 487513031 VDYQBHBQSIPLIM-UHFFFAOYSA-N 449.488 5.250 30 20 IKED N#CCCC[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1ccccc1 487606355 UOGLKHJOQYAEDK-FQEVSTJZSA-N 444.387 6.211 30 20 IKED CCN(C(=O)CCCCOc1cccc(C#N)c1)[C@@H](c1ccc(Cl)cc1)c1cccnc1 496518140 PHMCQPNMHYCACX-SANMLTNESA-N 447.966 5.794 30 20 IKED C=CCN(CCc1ccco1)C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 496691787 WCFYRWXEXKPETK-HSZRJFAPSA-N 436.939 5.052 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 497491640 ZEBCTJCLXZYZRM-UHFFFAOYSA-N 433.364 5.341 30 20 IKED Cc1ccc2nc(CSCC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)cn2c1 500746710 WEICUADVSZESMP-UHFFFAOYSA-N 442.544 5.487 30 20 IKED CN(C)c1nc2sc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2s1 505439928 KEGHWCYVYOVGKO-LBPRGKRZSA-N 444.994 5.691 30 20 IKED C=C(C)CCc1noc(/C=C\c2csc(N(C(C)=O)c3cccc(C(F)(F)F)c3)n2)n1 508644897 ZHYQMLSVDNUXMN-NTMALXAHSA-N 448.470 5.909 30 20 IKED C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](c2nccs2)C1 508801220 KOKLBOLIQZRHFA-HNNXBMFYSA-N 432.018 5.250 30 20 IKED COc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c(C(F)(F)F)c1 509197157 RDLTVILZRGAZDJ-UHFFFAOYSA-N 426.394 5.417 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1Cl 510024211 SUTNXYZCPGSGDS-HSZRJFAPSA-N 448.929 5.489 30 20 IKED N#CCc1ccc(NC(=O)CNc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)cc1 511676525 WMHSKQXNEZITDT-UHFFFAOYSA-N 426.398 5.009 30 20 IKED N#CCSCC(=O)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2Cl)cs1 512219346 QBSLABGHTBNCAH-UHFFFAOYSA-N 431.945 5.393 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H](c2ccccc2)c2nccs2)c1 513227215 OUPRRBAUFJGNCV-QHCPKHFHSA-N 425.513 5.113 30 20 IKED N#C[C@@H](C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1nc2ccccc2s1 513676318 CIQKTLLSESNIOU-ZDUSSCGKSA-N 437.933 5.754 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1 514354146 QUPBYNNVKGWNTC-UHFFFAOYSA-N 436.471 5.392 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)nnc1-c1cccnc1 514960312 DFPKIMQNZZHXQR-MSOLQXFVSA-N 443.576 5.037 30 20 IKED N#Cc1ccccc1COc1cccc(CN2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)c1 515710254 CEWKJSCHVYFIAU-DNQXCXABSA-N 444.535 5.099 30 20 IKED Cc1nc(-c2ccco2)ccc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 517461171 BQISFTNMCFJBQR-UHFFFAOYSA-N 431.439 5.927 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1ccccc1C(F)(F)F 517690573 BJLQFPTZOKHIFE-UHFFFAOYSA-N 448.441 5.420 30 20 IKED N#CCCN(C(=O)CCC(=O)NCc1ccccc1Sc1ccccc1)c1ccccc1 518299807 GGRKJQVTVXYJLQ-UHFFFAOYSA-N 443.572 5.181 30 20 IKED N#Cc1ccc(Sc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)cc1[N+](=O)[O-] 519042083 VPPLQFPZGRJBMX-UHFFFAOYSA-N 437.868 5.171 30 20 IKED COc1cccc(Oc2ccc(CNC(=O)Nc3ccccc3SC[C@H](C)C#N)cn2)c1 521258765 DGRFBTZXEONFPY-QGZVFWFLSA-N 448.548 5.456 30 20 IKED Cc1ccc(-c2noc(CCC(=O)N(Cc3ccccc3)c3ccccc3C#N)n2)cc1F 521651135 SQFUFLDQFRLJEX-UHFFFAOYSA-N 440.478 5.222 30 20 IKED CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 522242282 DUBDVVOXUWFOPN-LRXVAGHRSA-N 437.971 5.219 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCc2ccc(Cl)s2)cc1 522392994 MFJLQWALDCBFPX-UHFFFAOYSA-N 427.932 5.367 30 20 IKED CNC(=O)c1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1Cl 522586156 FKXUBWIBAJIXDM-UHFFFAOYSA-N 440.286 5.269 30 20 IKED N#C[C@H](C(=O)c1ccnc(Oc2ccccc2)c1)c1nc(-c2ccc(Cl)cc2)cs1 523351014 IHYMOLBBKXAFDF-LJQANCHMSA-N 431.904 6.141 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)c1 524194710 ISLJRYWZGRKGGW-HKBQPEDESA-N 438.593 5.327 30 20 IKED CCO[C@H](C)c1nc(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cs1 524212197 JPQWYVOPHNSJEI-FOIQADDNSA-N 439.968 5.731 30 20 IKED CN1CCC[C@H](CNc2nc(C(F)(F)F)ccc2C#N)[C@H]1c1ccc(C(F)(F)F)cc1 524230798 QIUGPEHEMBHROA-CRAIPNDOSA-N 442.407 5.486 30 20 IKED CC(C)Cn1cc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c(C(F)F)n1 535638925 BCAAFXLNTVIXHW-UHFFFAOYSA-N 426.492 5.752 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1 536913047 BUUJUPKLSJBPPX-UHFFFAOYSA-N 438.531 5.173 30 20 IKED C[C@@H](Nc1ccc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)cc1[N+](=O)[O-])c1ccccn1 539175286 ZTNLSNKCWWLNMQ-CQSZACIVSA-N 449.536 5.646 30 20 IKED N#Cc1cc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)ccc1Cl 541582750 WSWYVAWMRFWCQM-UHFFFAOYSA-N 436.726 5.009 30 20 IKED CC1(C)CC(/C=C/c2ccccn2)=Cc2c1sc(NC(=O)CNC1(C3CC3)CC1)c2C#N 543452568 HXBMNCNZNDGJTG-RMKNXTFCSA-N 444.604 5.264 30 20 IKED C[C@H](NCc1ccccc1C(C)(C)C#N)c1nc(-c2ccc(Br)cc2)cs1 543497343 MOSIQFMNOWSOBV-HNNXBMFYSA-N 440.410 6.225 30 20 IKED Cc1cc(C#N)ccc1-c1nc(-c2ccccc2-c2ccc(CN3CCCC3=O)cc2)no1 547025942 YXEKJJLRCCAPFZ-UHFFFAOYSA-N 434.499 5.373 30 20 IKED C=CCC[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1)c1ccccc1 550874982 NDCQTMRWFAYXSS-JTSKRJEESA-N 433.577 5.119 30 20 IKED C[C@H](Oc1ccccc1NC(=O)C(=O)N[C@@H](CCCC#N)c1ccccc1)c1ccccc1 556623873 IWFJYJJACQLHRD-REWPJTCUSA-N 441.531 5.316 30 20 IKED N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 557632699 TURNNKJHFJLDNU-INIZCTEOSA-N 437.343 5.120 30 20 IKED N#Cc1cc(C(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)cnc1C(F)(F)F 559536058 YLEKQDQPTNLKET-UHFFFAOYSA-N 430.817 5.490 30 20 IKED C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCC(OC(C)(C)C)CC1 571823575 LOMOGWLGENAZJY-UHFFFAOYSA-N 439.423 5.129 30 20 IKED C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H]1c1nc2ccccc2s1 577326546 OIHARUZBDABHMY-NRFANRHFSA-N 440.576 5.487 30 20 IKED C=CCc1cc(CN[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc(OC)c1O 581090381 FCGGZTSVLKJINN-QGZVFWFLSA-N 434.511 5.372 30 20 IKED C[C@@H](c1ccccc1)N1CCC(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 583113648 NSZQHCJJWYBARN-IBGZPJMESA-N 441.535 5.093 30 20 IKED COc1ccc([N+](=O)[O-])cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 603613786 TZGSQPAEHUGIMR-CQSZACIVSA-N 448.287 5.524 30 20 IKED CCCc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c2cccs2)cc1 603705497 IXYRLVOSGNMHOG-HSZRJFAPSA-N 445.588 5.346 30 20 IKED COc1ccc(-c2cc(C(=O)N[C@@H](C#N)c3ccccc3Br)sc2C)cc1 609593643 CXQAUOKSNHEGBL-IBGZPJMESA-N 441.350 5.489 30 20 IKED CCc1c(C)sc2nc(S[C@@H](C#N)C3CCCCC3)n(C[C@H]3CCCO3)c(=O)c12 609648494 NOGJEBSYPUYSBP-AEFFLSMTSA-N 431.627 5.072 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 609929115 VHPKBPODKVDOBC-QFIPXVFZSA-N 443.522 5.681 30 20 IKED C[C@@H](NC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1)c1cccc(C#N)c1 610324374 DBFGPCQREJPOIW-KBMIEXCESA-N 438.531 5.418 30 20 IKED COc1cc(C(=O)N(Cc2ccccc2)c2ccccc2C#N)cc(OC)c1OC(F)F 610387627 GWOQJYPLGHOXHY-UHFFFAOYSA-N 438.430 5.024 30 20 IKED COc1ccc(Br)cc1-c1nc(CN[C@H](C)c2cccc(C#N)c2)cs1 611386607 PQTQWKPYXXXNLO-CYBMUJFWSA-N 428.355 5.304 30 20 IKED N#C[C@H](C(=O)c1ccc(-n2cncn2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613347005 UWADIPZCIZEWFB-MRXNPFEDSA-N 440.315 5.188 30 20 IKED N#C[C@H](C(=O)c1csc(-c2cccs2)n1)c1nc2cc(C(F)(F)F)ccc2s1 613404948 QXOMWACWKAVIKX-SNVBAGLBSA-N 435.477 5.990 30 20 IKED O=C(N[C@@H]1CCSc2c(F)cccc21)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618555056 DZUJAIHXIAFLIY-GBIKHYSHSA-N 430.389 5.135 30 20 IKED N#C[C@@H](Sc1nnc(S[C@@H](C#N)c2ccc(Cl)cc2)s1)c1ccc(Cl)cc1 619863827 IWHBGCJEZZQVAQ-IYBDPMFKSA-N 449.413 6.559 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 680968678 UYEIHHNKWDKKAV-MTVMDMGHSA-N 433.314 5.233 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)Nc1ccc(OC(C)C)cc1 726485025 JCYSUEAQEQUFRW-UHFFFAOYSA-N 433.552 6.197 30 20 IKED N#CCCCOc1cccc(/C=C(/Br)c2ncc(-c3ccc(F)cc3)o2)c1 726744158 VHOXLQMMRFPILA-CPNJWEJPSA-N 427.273 6.056 30 20 IKED O=C(/C=C/c1ccccc1OCc1cccnc1)c1ccccc1I 727780910 WLHVNTGLEHSILO-VAWYXSNFSA-N 441.268 5.161 30 20 IKED CCOc1cc(/C=C2/Cc3c(ccc(Cl)c3Cl)C2=O)ccc1O[C@@H](C)C(=O)N(C)C 729149745 FWUBTLHHTOEUBU-OJNRTJSBSA-N 448.346 5.070 30 20 IKED Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)c2c1 730495315 BDSVGMZAGKZSCV-UHFFFAOYSA-N 448.526 5.161 30 20 IKED N#C[C@H](C(=O)CC1CCC(c2ccccc2)CC1)c1nc(O)c2c3c(sc2n1)CCCC3 731135677 HMKFWLLLXRIJSK-OUNSHVDWSA-N 445.588 5.816 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)cc1 731192667 JNNXFUAPSNXSQK-UHFFFAOYSA-N 427.476 5.132 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccc(Cl)c(Cl)c1O 733080540 ZZECDAFHOFTSES-UHFFFAOYSA-N 442.228 5.406 30 20 IKED COc1ccc(-c2ccc(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)c(F)c2)cc1 733254180 UGIYKNAQKZSIPV-NRFANRHFSA-N 439.284 5.258 30 20 IKED C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C 733807922 XGJIAIWQOMLXOJ-QGZVFWFLSA-N 437.540 5.172 30 20 IKED CC(=O)N(c1nc(/C=C2\CCc3nc(-c4ccccc4F)sc3C2=O)cs1)C1CC1 734304732 USWZEIYEHRYMGW-JLHYYAGUSA-N 439.537 5.134 30 20 IKED C[C@H](OC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nnc(-c2cccs2)o1 734585542 GEFKVKPVWOQLAP-HNNXBMFYSA-N 431.473 5.167 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=S)Nc3ccc(OC(F)F)c(Cl)c3)cc2)cc1 735623824 PTDFOCDIDMQPHC-UHFFFAOYSA-N 445.878 6.414 30 20 IKED C[C@@H]1CN(c2ccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)cc2)CCO1 736496713 MKYCBVOEGPHNJR-LJQANCHMSA-N 427.504 5.022 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@H](O)c2c(F)cccc2Cl)c1 741295784 CZLIVTGUDFOICN-IBGZPJMESA-N 445.277 5.260 30 20 IKED Fc1ccc2oc(C=Nn3c(S)nnc3COc3c(Cl)cccc3Cl)cc2c1 741762766 NSYYNHKVAMKYSZ-UHFFFAOYSA-N 437.283 5.220 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1nc(Cc2ccccc2)no1 743473055 AAIIYQUGFFTUFI-KRWDZBQOSA-N 444.922 5.938 30 20 IKED Cc1nn(C)c(C)c1[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 747021947 SHOXQRQVEHCUSM-BONVTDFDSA-N 433.364 5.447 30 20 IKED N#CCc1ccc(NC(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)cc1 749317496 HVMKPQLLFQNFKV-UHFFFAOYSA-N 443.304 5.378 30 20 IKED C/C(=C/C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(Cl)c1 750571609 BFZNAUQEQJZXFQ-HEUOVEHFSA-N 428.941 5.177 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2c(C)cc(Br)cc2C)cc1C#N 752192406 SYOIOLPYCWKBEC-UHFFFAOYSA-N 431.290 5.150 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1 752678694 ORRGLEWRTSHKBK-GHTZIAJQSA-N 435.549 5.299 30 20 IKED N#Cc1ccccc1/C=C/C(=O)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1 754343322 XZPNSTCHQJYXSB-OUKQBFOZSA-N 430.895 5.185 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 758862159 IIKTXGWXXAURNY-UHFFFAOYSA-N 445.523 5.372 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(Cl)c(C(F)(F)F)c2)ccc1OCCC(=O)O 763374388 QFRVCJLGKGRCLC-QHHAFSJGSA-N 428.790 5.117 30 20 IKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)/C(C)=C\c1c(Cl)cccc1Cl 766845594 FBSVYTSPTQFKIK-ZHUYAKLQSA-N 447.318 5.110 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ccccn2)n1)c1nc2cc(C(F)(F)F)ccc2s1 768782378 PXHBASOZDNPQEW-NSHDSACASA-N 430.436 5.324 30 20 IKED N#CCCn1cc(CN(Cc2ccccc2)C[C@H](O)c2cccs2)c(-c2ccccc2)n1 769545235 MUAOQWLFCZQNOI-DEOSSOPVSA-N 442.588 5.261 30 20 IKED CC(C)c1ccc(N2Cc3ccc(NC(=O)Cc4cccc(OCC#N)c4)cc3C2)cc1 771802601 BJHKJVUPHOHTRZ-UHFFFAOYSA-N 425.532 5.414 30 20 IKED C=CC[C@H](NC(=O)N(Cc1ccc(OC)c(OC)c1)[C@H]1CCCC[C@@H]1C)c1ccncc1 772498890 XCWVPXGIMRYFKP-VJBMBRPKSA-N 437.584 5.507 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 774053183 IEXLVRKAZNGZGV-CQSZACIVSA-N 426.423 5.268 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)n1 776527834 KOGIZYPATXKLMG-SXGZJXTBSA-N 447.963 5.233 30 20 IKED C=CCSc1ccccc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1 776782600 LEUKZHWDPHBYOL-UHFFFAOYSA-N 448.931 5.671 30 20 IKED CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 778619863 ZRUDICATXUQFHJ-CXAGYDPISA-N 447.507 5.054 30 20 IKED CC(C)(C)c1ccc(-c2nn(CN3CCC(CC#N)CC3)c(=S)n2Cc2ccco2)cc1 781572740 VQFQDQOAYARDMT-UHFFFAOYSA-N 449.624 5.603 30 20 IKED CC(C)(C#N)CCCOC(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 782251904 FXVQUTZVKWFGJR-UHFFFAOYSA-N 448.470 5.501 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)Nc3ccc4ccccc4c3)c2)cc1 782808370 MMXJAVKETQRJBT-UHFFFAOYSA-N 435.483 5.062 30 20 IKED CCOc1cc(/C=C\C(=O)c2cnn(C(C)C)c2C)ccc1OCC(=O)Nc1ccccc1 787186232 GXTTYMDVLWQLPB-QBFSEMIESA-N 447.535 5.085 30 20 IKED C=CC[C@@H](OC(=O)C1CCN(C(=O)[C@H](C)CSC)CC1)c1ccc(Cl)c(Cl)c1 799378479 KLOKDXYIXWQPKI-AUUYWEPGSA-N 444.424 5.392 30 20 IKED CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[C@@H](C#N)c1cnc2ccccc2n1 805929455 FWKNVMBGQDXHQZ-AVRDEDQJSA-N 444.535 5.098 30 20 IKED COC(=O)Nc1cccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 806211720 GAQIMDMHRXYVCW-NRFANRHFSA-N 448.910 5.495 30 20 IKED COc1cc(COC(=O)C2(c3cccnc3)CCCC2)ccc1OCc1cccc(C#N)c1 808565857 ZBYJPRJLYBQOKZ-UHFFFAOYSA-N 442.515 5.096 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1cc(C)ccc1OC)[n+]1cc(O)cc(-c2ccccc2)c1 811723860 OJDAMCNQQJXQIW-UHFFFAOYSA-O 447.580 5.041 30 20 IKED Fc1ccc(C2OCCO2)c(Cl)c1CN[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 812824236 WHWGPVWJKYGADD-URLYPYJESA-N 449.794 5.524 30 20 IKED C[C@H](CC(=O)c1cccc(Br)c1)C(=O)[C@@H](C#N)c1nc2ccccc2s1 821619978 UMPFZHRIVXXVJX-IUODEOHRSA-N 427.323 5.144 30 20 IKED Cc1cc(CSc2ccccc2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)on1 875071327 PEQKRFGCANYWOQ-UHFFFAOYSA-N 446.557 5.447 30 20 IKED N#CCCn1cc(C(=O)COC(=O)c2cc(Cl)ccc2Br)c2ccccc21 913344796 LGEZCQVCYIGZMV-UHFFFAOYSA-N 445.700 5.011 30 20 IKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Oc1c(Cl)cccc1Cl 915134254 JTTRHQORYAAJOL-UHFFFAOYSA-N 445.096 5.011 30 20 IKED O=C1/C(=C/c2csc(-c3ccccn3)n2)CCC/C1=C\c1csc(-c2ccccn2)n1 915980940 DXBCIMIJLPPCDZ-UNZYHPAISA-N 442.569 5.944 30 20 IKED COCCOc1ccc(C(=O)/C=C\c2csc(-c3ccc(Cl)cc3)n2)cc1OC 915993651 VGUCTZHVYMATRY-HJWRWDBZSA-N 429.925 5.393 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)cc1NC(=O)c1ccccc1F 916884825 HTGYNSGFRMTDPC-IBGZPJMESA-N 449.869 5.001 30 20 IKED C[C@H](Oc1cccc(Cl)c1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916907585 YVLNHKKIBSQHHI-JXFKEZNVSA-N 434.879 5.247 30 20 IKED N#C[C@@H](C(=O)CCCCc1nc2ccccc2s1)C(=O)Nc1cccc2ccccc12 916915309 BQJNQKONYGWAHF-IBGZPJMESA-N 427.529 5.510 30 20 IKED N#Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3nc4ccccc4s3)o2)SC1=S 917644945 OTOLZZQKAYGQRF-YBFXNURJSA-N 445.550 5.834 30 20 IKED N#C[C@@H](C(=O)[C@H]1COc2ccc(Cl)cc2C1)c1nc(-c2c(F)cccc2F)cs1 920803829 DSOMQGJQXXPMPM-OCCSQVGLSA-N 430.863 5.169 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cccnc4[nH]3)CCC2)cc1 1789454447 YTPYIIDERSXVDX-NRFANRHFSA-N 428.536 5.079 30 20 IKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)CCC=C(C)C)CCC3)cc2)c1 1790075520 FUGNVTARYJJYCI-UHFFFAOYSA-N 431.536 5.061 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cccc(OC)c3)CCC2)cc1 1791301034 JYIQAEKVFQDAAA-MDWZMJQESA-N 440.490 5.054 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(C)c3Cl)cc2)CCC1 1792110200 KURJERFYLIVMMV-QGZVFWFLSA-N 441.959 5.197 30 20 IKED CCC[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@@H](C)C#N)c2)C3)CC1 1801813592 VHMYYIUDGVFCPZ-YEPLINDWSA-N 435.612 5.172 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1 1804859285 QUJRECGKYDTROD-UHFFFAOYSA-N 431.020 5.106 30 20 IKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)s1 1816353546 MMLFRSKPLGNIBD-QRWLVFNGSA-N 447.564 5.026 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(F)ccc3[nH]2)n[nH]1 1818990872 RRMXTKDXSYTLOQ-JOCHJYFZSA-N 449.530 5.104 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2oc3ccccc3c2C)CC1 1824142195 HSJGCTMFESDMJE-XMMPIXPASA-N 448.607 5.743 30 20 IKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 1831306916 MQTWBEROJBMDBZ-LADGPHEKSA-N 431.020 5.275 30 20 IKED C=C(C)CN(CC)C(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1-c1ccccc1C(C)C 23372187 VWMAXNAZIGGPJN-IBGZPJMESA-N 449.624 5.358 30 20 IKED C=CCn1c(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)nnc1-c1ccco1 25633949 WFKDAHSUAVYPCR-UHFFFAOYSA-N 433.415 5.085 30 20 IKED C=CCn1c(-c2ccco2)nn(CN2CCc3sccc3[C@@H]2c2cccs2)c1=S 28786372 VVIAPVJYHJVRPE-LJQANCHMSA-N 440.619 5.588 30 20 IKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3cccc(Cl)c3)o2)cc1C 29440877 ZPXZNTSDHUAFBM-UHFFFAOYSA-N 426.929 5.046 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)c1C#N 58286021 UNMKYIBRXCHLNQ-UHFFFAOYSA-N 428.517 5.057 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4ccccn4)[nH]c3=O)cc2Cl)cc1 58824676 DYFRSNPISZBPER-UHFFFAOYSA-N 442.862 5.007 30 20 IKED COc1ccc(Cl)cc1NCC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 60373761 FZIISEGJOQHARJ-UHFFFAOYSA-N 437.883 5.072 30 20 IKED COc1ccccc1-c1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cs1 60767558 PPLRHWZDKKWCMR-KRWDZBQOSA-N 431.542 5.741 30 20 IKED C=CCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nc(-c2ccccc2)cs1 64869822 JJHZXFSRPISPST-UHFFFAOYSA-N 448.529 5.675 30 20 IKED COc1cccc(N/C(S)=C(/C(=O)c2cc(Cl)ccc2Cl)[n+]2cccc(C)c2)c1 71793489 UBBMQKQRLDRZGU-UHFFFAOYSA-O 446.379 5.649 30 20 IKED N#CCCN(Cc1ccco1)C(=O)/C=C\c1cn(Cc2ccccc2)nc1-c1ccccc1 96315706 AOOFRMRPQAWUIK-PFONDFGASA-N 436.515 5.147 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2Cl)o1)c1nc2ccccc2n1C(F)F 195557387 WSQMZWGDYLHEKJ-AWEZNQCLSA-N 440.837 5.549 30 20 IKED C[C@H](Sc1nc(-c2ccc(F)cc2)cs1)C(=O)Nc1sc2c(c1C#N)CCC2 218627040 KYNDWWPWWPVRKB-NSHDSACASA-N 429.567 5.490 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1 303035553 UZEIEGDSRBBBMY-UHFFFAOYSA-N 436.515 5.092 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn(Cc2ccccc2)c1C 303136614 CXRQSSAUHXSUOT-UHFFFAOYSA-N 436.515 5.251 30 20 IKED CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 303192295 MOXNXTVFRCBSMT-UHFFFAOYSA-N 439.968 6.215 30 20 IKED COCCN(C(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)c1ccc(C#N)cc1 303960379 BSGGSRYMGDKKMP-UHFFFAOYSA-N 447.516 5.219 30 20 IKED N#CCCN(CC1CC1)C(=O)Nc1ccc(OCc2ccccc2)c(Br)c1 428884952 IPNYVWYDYKWINJ-UHFFFAOYSA-N 428.330 5.186 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@H](Cc1ccc(Cl)cc1F)C(C)=O 436188492 URPOXNRSEYHJHH-HXUWFJFHSA-N 445.947 5.128 30 20 IKED CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)C(=O)Nc1ccccc1SCCC#N 440117806 LAQHVTSBAMKFTF-UHFFFAOYSA-N 441.984 5.279 30 20 IKED CN(C)c1cc(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c2ccccc2n1 440631253 XJJYMPMFQLYPLM-UHFFFAOYSA-N 436.515 5.089 30 20 IKED Cc1cc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)ccc1C#N 443900804 OGIRCYDLYIPZID-NRFANRHFSA-N 435.549 5.171 30 20 IKED C=CCN(C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1nc2c(s1)CCCC2 447520567 BTADUBCAUMBOQO-UHFFFAOYSA-N 427.476 5.320 30 20 IKED O=C(N(CCC(F)(F)F)CC(F)(F)F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2 448529718 AQYSAXQFKJNJHS-WHCAJBEMSA-N 425.335 5.479 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 460815685 QFIVURNCGKABJB-GVAUOCQISA-N 444.579 5.450 30 20 IKED C[C@@H]1C[C@@H](c2ccccc2F)N(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)C1 461804221 BYUVDPNJZMBXEY-JLGINSKQSA-N 445.542 5.112 30 20 IKED CS(=O)(=O)c1cccc([C@H](Nc2ccc(C#N)c(Cl)c2)c2cc(F)ccc2F)c1 462930853 CVLHHRWWTWKKMO-NRFANRHFSA-N 432.879 5.095 30 20 IKED C[C@@H](C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)c1cccc(C#N)c1 463261502 UTHPNLWIDOTWBS-CYBMUJFWSA-N 427.382 5.165 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3ccccc3C)no2)nnc1-c1ccc(Cl)cc1 466614857 YQEMGISWJAKKPK-HNNXBMFYSA-N 437.956 5.996 30 20 IKED Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1 466940221 WIGYVGYWDLBWGF-DYESRHJHSA-N 447.457 5.097 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccoc3Br)cc2Cl)c1 469043062 PVWNASJHGMILJD-UHFFFAOYSA-N 431.673 5.398 30 20 IKED C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C[C@H]1n1ccnc1 469504423 DXEILTUMQXTRJI-IIBYNOLFSA-N 435.915 5.315 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H](C[C@@H](C)O)c1ccccc1 469689174 FVEZKDXZTFWMKZ-YKSBVNFPSA-N 443.547 5.122 30 20 IKED Cc1cccc2c1OCC[C@H]2NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 473968094 HLXOVXXGYOWPOM-XMMPIXPASA-N 427.504 5.285 30 20 IKED N#Cc1ccc(NC(=O)N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)cc1C(F)(F)F 475389298 ASZLCHFTRPDFQW-KRWDZBQOSA-N 443.347 5.201 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1 480560147 VKIOQJIYTXLZRM-UHFFFAOYSA-N 427.529 5.198 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)c(C(F)(F)F)c1 480927891 GTKGTTRIPPQUMQ-UONOGXRCSA-N 449.498 5.284 30 20 IKED CC(C)n1cc2c(n1)C[C@@H](NC(=O)c1cccc(Oc3ccc(Cl)cc3C#N)c1)CC2 481856751 PMOMZTZVBCLSGR-FQEVSTJZSA-N 434.927 5.069 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 481923353 ZQEYZFHSDNLBFK-WMLDXEAASA-N 441.919 5.301 30 20 IKED C=C(C)[C@@H](NC(=O)N(Cc1cccc(C)n1)Cc1cccc(C)n1)c1ccc(F)c(F)c1 483302191 IULYQMBIPINJGV-XMMPIXPASA-N 436.506 5.401 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3c(F)cccc3Br)c2)cc1 486786582 DLKMEOPTJMNZBW-UHFFFAOYSA-N 439.284 5.486 30 20 IKED CCC[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(Cl)c(Cl)c1 486930721 DZNZSXDEJREXBW-LJQANCHMSA-N 432.351 5.391 30 20 IKED C[C@@H](OCc1ccccc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 487391340 SIPOVHHZDPVWNR-CQSZACIVSA-N 445.466 5.168 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H](Oc2ncccc2F)C1 488382735 VOWYDPBYQHDRJW-OAQYLSRUSA-N 446.482 5.268 30 20 IKED Cc1ccn(-c2ccccc2CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)n1 488724122 XSPNPLRRVMGUCG-UHFFFAOYSA-N 438.556 5.275 30 20 IKED CCC(C)(C)OCc1cccc(NC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)c1C 488879532 KJGFIVNNUFIZBE-OAQYLSRUSA-N 434.584 5.130 30 20 IKED Cc1ccc(C[C@H](C#N)Sc2nnc(COc3ccccc3)n2Cc2ccco2)cc1 489646127 OBBPZFWGTNZBQJ-JOCHJYFZSA-N 430.533 5.034 30 20 IKED Cc1csc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c1Br 489722498 ZFBKGUYWZXDNLJ-SFHVURJKSA-N 441.350 5.393 30 20 IKED C=CCc1ccc(OCC(=O)Nc2ccc(C(=O)NC(C)(C)CC)c(Cl)c2)c(OC)c1 496896868 ICDOZQUZVQITGA-UHFFFAOYSA-N 444.959 5.013 30 20 IKED N#C[C@H](C(=O)c1cnc2c(F)ccc(F)c2c1)c1nc(-c2c(F)cccc2F)cs1 497440746 HSASBXYZRSEGPA-GFCCVEGCSA-N 427.382 5.405 30 20 IKED C=CCn1c(S[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)nnc1-c1ccccc1 499199005 XOOSKONXMYXLKF-SFHVURJKSA-N 444.482 5.048 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cnn(CC(C)C)c2C(C)C)cc1C 499427315 IULSTIMTCYONHR-UHFFFAOYSA-N 432.572 5.309 30 20 IKED N#Cc1cc(C(=O)N2CCCC[C@H]2c2cccc(C(F)(F)F)c2)cnc1C(F)(F)F 500548520 HUJRPGXMYSGJAB-INIZCTEOSA-N 427.348 5.358 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 503498484 MCSSVYWWNPOTRH-UHFFFAOYSA-N 446.530 5.126 30 20 IKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1 505833840 QQXVGMLJACOPOF-IBGZPJMESA-N 444.432 5.322 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CC[C@H](C(F)(F)F)C3)s2)c(C(F)(F)F)c1 507658967 IHNVKADDCBLXCM-STQMWFEESA-N 447.404 5.541 30 20 IKED CCN(C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)[C@H](C)c1ccc(C#N)cc1 509561536 RLEGXKGKKZKDAY-MRXNPFEDSA-N 439.968 5.399 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3CCC(c4cccc5ccccc45)CC3)CC2)c(F)c1 509798683 LJXFXAUVJYTBIV-UHFFFAOYSA-N 441.550 5.473 30 20 IKED CCN(CC)C(=O)c1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 511794197 RXHHECMZEDMWOM-UHFFFAOYSA-N 441.531 5.066 30 20 IKED Cc1cccc(CN(Cc2ccco2)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1 516570203 LGSFOIVACAKPGS-UHFFFAOYSA-N 442.544 5.741 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1nc(-c2ccccc2)cs1 516714252 XSHLMACSUCIBDK-MRXNPFEDSA-N 439.327 5.793 30 20 IKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c12 518240042 RSDQLSJTELYOMW-MRXNPFEDSA-N 441.560 5.590 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cc(Br)ccc1Cl 518241816 IAZNXWAZUXATSM-NSHDSACASA-N 445.791 5.298 30 20 IKED N#CCCCOc1cccc(/C=C(/CC(=O)O)c2nc3cc(C(F)(F)F)ccc3s2)c1 518602832 OINTYTRLEZMIKX-GDNBJRDFSA-N 446.450 6.013 30 20 IKED CCCN(C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@H](C)c1ccccc1OC 519911513 IUEPWLMBMDZPPH-OAHLLOKOSA-N 435.446 5.513 30 20 IKED COc1cc(CNC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)ccc1OC1CCCC1 519923632 BKJKCQBLVAOWHU-UHFFFAOYSA-N 435.568 5.256 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc(-c3cccc(Cl)c3)cs2)c1 522570012 DIVLUZUYVGZHRH-UHFFFAOYSA-N 435.892 5.759 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N(Cc3cccnc3)c3ccc(Cl)cc3)o2)cc1 524382286 VMUVIKXRNRAJKX-UHFFFAOYSA-N 443.890 5.626 30 20 IKED Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 524491749 SMPFKWOYLIGOPK-UHFFFAOYSA-N 425.488 5.047 30 20 IKED C=CCC[C@@H](NC(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2)c1ccc(C(F)(F)F)cc1 533088176 NQSKWIQRGDBAGQ-AUUYWEPGSA-N 431.458 5.268 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(-c2ccccn2)ccc1Cl 535089640 OJWQOJJXGAMSCN-UHFFFAOYSA-N 440.890 6.022 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)cc1Cl 535589702 RNUVHPYJJVOQGL-UHFFFAOYSA-N 446.894 5.540 30 20 IKED N#Cc1ccc(C2=CCN(Cc3cn(Cc4ccccc4)nc3-c3cccnc3)CC2)cc1 537722642 ZWTASVFLRUGODU-UHFFFAOYSA-N 431.543 5.154 30 20 IKED O=C(Nc1ccccc1CCC(F)(F)F)c1cc(OC(F)F)cc(OC(F)F)c1 538289633 ILHRQEPCQLTIGK-UHFFFAOYSA-N 425.300 5.637 30 20 IKED Cc1ccc(C(=O)CCCCC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 546792099 FBWXUXNBTQFCED-UHFFFAOYSA-N 439.515 5.501 30 20 IKED C=CC[C@@H]1N(C(=O)Nc2nnn(Cc3ccc(C(F)(F)F)cc3)c2C)CCCC1(C)C 549317310 WIOLYXPCWQPDAH-SFHVURJKSA-N 435.494 5.252 30 20 IKED C=C(C)Cn1c(SCC(=O)N2C[C@H](C)CC[C@@H]2c2ccccc2)nnc1-c1ccco1 553176094 QYUQTWLBSJOFBT-UYAOXDASSA-N 436.581 5.206 30 20 IKED N#Cc1ccc(C[C@H](C#N)c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)cc1 557513217 CXTYWLDRWHEOBQ-CQSZACIVSA-N 436.315 5.496 30 20 IKED O=S(=O)(Nc1ccccc1CCC(F)(F)F)c1c(F)cccc1OC(F)(F)F 561694705 VZRAAISEHYWUKK-UHFFFAOYSA-N 431.329 5.020 30 20 IKED C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc2n[nH]cc2c1 562151996 OKGWYHZLMMYQTO-HNNXBMFYSA-N 429.455 5.035 30 20 IKED C=CCOc1ccc(CNC(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc1 562166355 BTJZIDLKLYSILF-UHFFFAOYSA-N 435.911 5.479 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)CCSc1ccc2c(c1)OCCCO2 578104009 DXKVYWGDBCFWOX-UHFFFAOYSA-N 444.556 5.435 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC(=Cc4ccc(F)c(F)c4)CC3)cc2)ccn1 578266339 GDEXVHPQDOMHJZ-UHFFFAOYSA-N 446.457 5.735 30 20 IKED COc1ccc(CN2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1OCCCC#N 584796545 OYCCMCDWIAHZEP-INIZCTEOSA-N 439.503 5.233 30 20 IKED CN(C(=O)CCCCCC#N)[C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 588939650 GOLFASSQVVKWGP-OAQYLSRUSA-N 433.777 6.124 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1ccc(NC(=O)C2CC2)cc1 603532954 IDRCJKTVMILRBR-UHFFFAOYSA-N 427.479 5.201 30 20 IKED CCN(C(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C)[C@H](C)c1ccc(C#N)cc1 603956169 KBPVIZYLQVAMDK-MRXNPFEDSA-N 435.524 5.543 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn2c(-c3ccccc3)ccnc12 604103180 UTUBVKPILKANRH-UHFFFAOYSA-N 446.470 5.016 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)Cc1ccc(OC(F)F)c(OC)c1 606759936 XKQJHOCAOKRZRK-UHFFFAOYSA-N 445.384 5.152 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 608966601 RPZHSEUWHGPOIA-HSZRJFAPSA-N 437.326 5.746 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C3CCN(C(=O)Nc4ccccc4)CC3)c2)cc1 609175861 KGZXLHBNDZWFLT-UHFFFAOYSA-N 440.503 5.233 30 20 IKED N#CC1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2Cl)c2c[nH]c3ccccc23)CC1 609212739 SWOLAKHESJYAHH-IBGZPJMESA-N 441.362 5.552 30 20 IKED C[C@@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 609387061 ISFMTHLGURFEQX-HOTGVXAUSA-N 446.414 5.160 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccccc2)cc1 609399357 PPYNLIYSIRFXSB-KOSHJBKYSA-N 431.561 5.858 30 20 IKED CCOc1ccc([C@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OCC 609439016 SEOCKNICPRXDEJ-IRXDYDNUSA-N 427.570 5.761 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3nnc(Cc4ccccc4)s3)cc2)cc1 609496283 LWXIEUMMJXFTNM-UHFFFAOYSA-N 426.501 5.240 30 20 IKED Cn1c(-c2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cc2)nc2ccccc21 609503272 KRAHLGGUAZZRIO-UHFFFAOYSA-N 445.482 5.552 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccnc1SCC1CCCCC1 609644328 KARIFVZHDHROKD-KRWDZBQOSA-N 425.623 6.258 30 20 IKED Cc1cc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)ccc1OC1CCOCC1 609980674 VCNRVAHZIIUHRO-UHFFFAOYSA-N 442.515 5.256 30 20 IKED COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)N[C@H](C)c2cccc(C#N)c2)cc1 610407223 ZKLJLZYKYZJLND-LJQANCHMSA-N 429.520 5.048 30 20 IKED COCCCn1c(S[C@H](C#N)c2ccc(Cl)cc2)nc2cc(Cl)ccc2c1=O 619863755 AIMOJIVSWZSJQG-GOSISDBHSA-N 434.348 5.097 30 20 IKED O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1ccccc1CCC(F)(F)F 622545912 ZYXVQJKLTUKOQJ-UHFFFAOYSA-N 433.367 5.801 30 20 IKED C=CCn1c(SCC(=O)NCc2ccc3ccccc3c2)nnc1-c1ccc(Cl)cc1 642044897 HZYKBHMZWGYHGT-UHFFFAOYSA-N 448.979 5.346 30 20 IKED Cc1c(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cccc1C(F)(F)F 675532904 DHLYZLMTYLVJIJ-URLYPYJESA-N 436.318 6.045 30 20 IKED N#C[C@H](C(=O)c1cc2sc(N3CCCC3)nc2s1)c1nc2cc(F)ccc2s1 684631777 LHDHDFSNEFVFPK-LLVKDONJSA-N 428.539 5.197 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2oc3ccccc3c2CSc2ncccn2)cc1 726941724 JHZNZSINLPSUKA-UHFFFAOYSA-N 428.517 5.384 30 20 IKED C=CCOc1ccc(/C=C(\Cl)c2nnc(C(=O)NCc3ccccc3)s2)cc1Cl 727264874 YQBMFRLOHOHPSV-ATVHPVEESA-N 446.359 5.423 30 20 IKED Cc1nc(S)sc1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728029240 LWUUJDHSDHYKBM-UHFFFAOYSA-N 429.954 5.026 30 20 IKED C#Cc1cccc(N(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C(C)C)c1 728246219 QHQDBNJRIQTJJW-GOSISDBHSA-N 428.492 5.199 30 20 IKED CCc1ccc(OCc2nn(CN(C)[C@@H](C)CC#N)c(=S)n2[C@@H](C)c2ccccc2)cc1 728902459 PULIKYQNQRNABG-PMACEKPBSA-N 449.624 5.356 30 20 IKED CC(C)c1cc(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccccc2n1 731069674 LBRFEOBJJBWTEJ-KRWDZBQOSA-N 447.560 5.405 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCCc1ccc(Br)cc1F 731114353 OSJCYVKJWBFZDW-ZDUSSCGKSA-N 436.350 5.204 30 20 IKED CCOc1c(OC)cc(/C=C2\CCc3nc(-c4ccccc4F)sc3C2=O)cc1OC 731936507 AEUSBAYBCUMDCH-RVDMUPIBSA-N 439.508 5.578 30 20 IKED C=CC[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccncc1 734510131 RFVQBARLEREANO-IBGZPJMESA-N 428.286 5.419 30 20 IKED COc1cc(Br)c(CNCc2cccc(-c3ccc(C#N)s3)c2)cc1OC 740014904 ZLHYUUMUTCATGX-UHFFFAOYSA-N 443.366 5.356 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=S)Nc2ccc(SC(F)F)cc2)cc1F 743036962 PFOKWIZYUNDALV-UHFFFAOYSA-N 445.491 6.613 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2cc(Cl)ccc2OC[C@H]2CCCO2)S1 743059293 WGNMCEOFIHWEJL-BDBXIWDTSA-N 442.968 5.406 30 20 IKED N#Cc1cc(NC(=O)Nc2cccc(Sc3ccccc3)c2)ccc1N1CCC(O)CC1 743147388 PCGSNVHGVHKKHM-UHFFFAOYSA-N 444.560 5.315 30 20 IKED C[C@H](Oc1cccc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1)C(=O)O 745020462 FQAFLMKWXNFXPU-XURPKSDJSA-N 441.823 5.256 30 20 IKED CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCc2ccc(OC)c(O[C@@H](C#N)CC)c2)o1 745820880 WUFGCOKKFJHWHI-WMQCIHAUSA-N 439.556 5.214 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccc(Cl)c(Cl)c1 747109723 DCRYRDPBBHBXCD-MLGOLLRUSA-N 426.328 5.969 30 20 IKED CC(C)(C)OC(=O)NC1(CC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)CCC1 747112893 HLUQLXHJUVESEM-CYBMUJFWSA-N 447.507 5.102 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)ccc1OC 747582613 UKFIIBAILSIVGP-CBGDNZLLSA-N 443.975 5.363 30 20 IKED CC(=NN(C(=S)Nc1cccc(Cl)c1)C(C)(C)C)c1cnn(-c2ccccn2)c1C 748248390 FFKSGIGHNTWYEN-UHFFFAOYSA-N 441.004 5.451 30 20 IKED CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=S)Nc1ccc(C#N)c(Cl)c1 749898659 CGEAYJXEDWDFON-UHFFFAOYSA-N 442.972 5.045 30 20 IKED C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC(c2nc(C(C)(C)C)cs2)CC1 750061260 JFNBDDCAOOREGQ-CQSZACIVSA-N 442.654 5.069 30 20 IKED Cn1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1-c1ccc(F)cc1 750398349 GQYAFJAQVKKMRS-IBGZPJMESA-N 426.476 5.316 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 752663647 WHMIXORJICYSAR-CTNGQTDRSA-N 441.000 5.197 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 754678086 YHPIIDNHDGLAQO-BEFAXECRSA-N 439.544 5.006 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2CCC(F)(F)F)ccc1OC 757245052 KXLHFFKUCFVLDD-KRWDZBQOSA-N 435.446 5.193 30 20 IKED C[C@H](ON=CC(=O)Nc1ccccc1Cl)c1nnc(-c2ccc(Cl)cc2Cl)o1 757611226 CFDDNVDQNPWMMV-JTQLQIEISA-N 439.686 5.399 30 20 IKED N#C[C@H](C(=O)[C@@H](OC1CCOCC1)c1ccccc1)c1nc2cc(Cl)ccc2s1 759223455 UVOAHINUDDXKCG-UTKZUKDTSA-N 426.925 5.063 30 20 IKED C=CCn1c(Sc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccccn1 765576813 SRJUPAZRKZIXBY-UHFFFAOYSA-N 441.822 5.258 30 20 IKED O=C(N[C@@H]1CCC(F)(F)C1)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl 765908771 DVOMJYQAXNPIMR-SECBINFHSA-N 443.750 5.097 30 20 IKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2F)NC1=O)Nc1cccc(Cl)c1Cl 766284634 WDZLQOFSRMTUKN-CYBMUJFWSA-N 446.718 5.034 30 20 IKED N#Cc1ccsc1NC(=O)COC(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1 768134675 SYPPHXFHPQQBDD-ODLFYWEKSA-N 440.883 5.135 30 20 IKED CC1(C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)CC2)OCCO1 768967914 ILLCSAIXCUPGGO-UHFFFAOYSA-N 441.915 5.011 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1 772091821 JEMLCDGHXPOVTF-UHFFFAOYSA-N 430.508 5.091 30 20 IKED CC(C)c1ccc(N2Cc3ccc(NC(=O)N(CCC#N)Cc4ccco4)cc3C2)cc1 772586545 COJKDSIVFVFQCL-UHFFFAOYSA-N 428.536 5.871 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@@H](c2ccc(Br)cc2)c2ccco2)c1 779412313 LZONCSLKMWUXSE-KNQAVFIVSA-N 425.326 5.602 30 20 IKED CC1(C#N)CCN(Cn2nc(-c3cc(-c4ccccn4)nc4ccccc34)oc2=S)CC1 779879785 SIMDXYZHDSMDRU-UHFFFAOYSA-N 442.548 5.066 30 20 IKED Cc1cc(C(=O)Nc2ccccc2O[C@H](C)C#N)c(C)n1-c1ccccc1Br 781033915 DMLPCRCMYQLMEV-OAHLLOKOSA-N 438.325 5.400 30 20 IKED CC(C)(C)Sc1ccc(NC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)cc1 784258862 KNGAGCZTWWHFMD-UHFFFAOYSA-N 446.532 5.213 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2cc(-c3cccc(Cl)c3)on2)cc1C#N 786047914 DKFWRQHVKTVWEE-UHFFFAOYSA-N 425.832 5.079 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H](O)c2cc(F)cc(Cl)c2)cc1 787835543 RBTXNHFYPGXHHL-NRFANRHFSA-N 440.927 5.106 30 20 IKED C#CCn1ccc(CN(CC)C(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)n1 788583582 ATJIGGZPMBDBPV-UHFFFAOYSA-N 442.441 5.381 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc2c(c1)OCO2 796760590 CEFDZIMTVKBYKO-NHYWBVRUSA-N 445.327 5.826 30 20 IKED N#CC1(CCCOC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)CCOCC1 800097523 WYIJBYVOCFBCIU-UHFFFAOYSA-N 434.923 5.813 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CC(C)(C)[C@@H]2c2ccncc2)c1=S 814228164 WWWBGXPLYDVBKU-IBGZPJMESA-N 425.989 5.356 30 20 IKED C[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(CNc2ccc(C#N)cc2[N+](=O)[O-])cc1 864012411 LUTBFVOGCMPVNW-OAHLLOKOSA-N 442.435 5.032 30 20 IKED O[C@H](c1ccc(NCc2c(F)ccc(C(F)(F)F)c2Br)cc1)C(F)(F)F 864044052 RBUSZROZPNROHT-CQSZACIVSA-N 446.160 5.815 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(-c2ccc(Br)cn2)no1 904846872 QPQKWUQAZFWKPL-UHFFFAOYSA-N 426.192 5.145 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(Br)s2)cc1 915350598 ZWAHHJBYFGWTSR-SFHVURJKSA-N 426.339 5.488 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1ccc(F)cc1F)C(=O)Nc1ccccc1Oc1ccccc1 916904910 FQCDJGPTCSOMFX-IBGZPJMESA-N 448.425 5.068 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc2c(s1)CCCCC2 916907261 XKHMTQJTXQXGIB-IBGZPJMESA-N 430.529 5.770 30 20 IKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)N2/C(=N\Cc3ccccc3)SCC2(C)C)cc1 917556796 MZZLQPQDSNTSIA-FFLLYBNDSA-N 441.622 5.036 30 20 IKED N#Cc1ccccc1/C=C/C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 918185100 XPCBRIDONHEVTG-AATRIKPKSA-N 444.331 5.092 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 920102613 XLHQONXJKZKISE-SFHVURJKSA-N 427.508 5.131 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCc1ncc(-c2ccccc2Cl)o1 920106115 KWIODPNKGSZKRS-KRWDZBQOSA-N 431.879 5.309 30 20 IKED CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=S)Nc1ccccc1C#N)N(C)C 920314094 ZAHLZSAHXYVKOC-OAQYLSRUSA-N 449.451 5.650 30 20 IKED C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920803783 CIROPIOZHUSTKK-RISCZKNCSA-N 445.472 5.354 30 20 IKED COc1ccccc1-c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(O)n1 1124973819 MCYFVYPSOWQASZ-QHCPKHFHSA-N 435.483 5.371 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc(Cl)c3)CCC2)cc1 1786366811 VWMWIORYAQKUBD-UHFFFAOYSA-N 426.944 5.071 30 20 IKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3C(F)(F)F)CCC2)cc1 1786372600 ZKQCEVKCNNXKTO-MRXNPFEDSA-N 446.469 5.044 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccc4ccnn34)cc2)CCC1 1790847309 WWCJLZKVSKTJQM-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1cccc(C)c1 1796473562 OBXNHHXEJQSCNX-NUNAXRQHSA-N 445.607 5.301 30 20 IKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)CCCc3ccccc3F)C2)CC1 1805492183 YHRXDHPCOMFWBC-UHFFFAOYSA-N 440.603 5.148 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/C2CCCCC2)[C@@H]1c1cccnc1 1810505044 LNLHVFSNSPLHSL-OPTWZLGUSA-N 437.628 5.216 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2scnc2C2CC2)n[nH]1 1816252019 XLZJQEYAURULMS-QGZVFWFLSA-N 441.601 5.042 30 20 IKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C3CCCCC3)[nH]n2)c1 1821325913 VPHAOMFBYTYYDC-YSESTWPTSA-N 445.567 5.032 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)c(F)c2)CC1 1823750243 FIWALDHFCVQCPS-HSZRJFAPSA-N 446.582 5.119 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](F)c2ccccc2)CC1 1823751559 ZNAPWDIGPNQSFX-GOTSBHOMSA-N 428.592 5.309 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C(C)=C/c2ccc(C)o2)CC1 1829007920 BVIBUJIGADVUPI-DETFIBCHSA-N 438.612 5.379 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1 1829068621 IDZAWWNHTHCOAJ-ZJSXRUAMSA-N 440.628 5.066 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)nc2)CC1 1831375546 ZTURHXUNBWGTKV-LVXARBLLSA-N 445.607 5.194 30 20 IKED CC[C@@H](C)c1ccc([C@H](NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c2cccs2)cc1 9930349 YGIPNNUQVQXYPW-CPJLOUKISA-N 447.604 5.277 30 20 IKED CCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2cccc(C)c2C)cc1 10167812 VPKBDQNVMJPGIS-UHFFFAOYSA-O 448.612 5.352 30 20 IKED C[C@@H](OC(=O)c1c(Cl)cccc1Cl)C(=O)Nc1sc2c(c1C#N)CCCCC2 15711204 SSSBJWPRIVNQOP-LLVKDONJSA-N 437.348 5.379 30 20 IKED C=C(C)CN/C(S)=C(\C(=O)c1ccc(C(C)C)cc1)[n+]1ccc(Cc2ccccc2)cc1 22798078 LTDWVVOTPGDYTJ-UHFFFAOYSA-O 443.636 5.793 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 32047936 IGGWBJMZQDGGRT-QHCPKHFHSA-N 427.573 5.276 30 20 IKED Cn1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(Cl)c2ccccc21 58426401 QEAYLGRXEXTCCN-UHFFFAOYSA-N 429.907 5.729 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 61140115 ICVQLQWMEOVDJO-UHFFFAOYSA-N 444.387 5.970 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 62897773 XASPKMYFTAVSDJ-UHFFFAOYSA-N 447.466 5.123 30 20 IKED CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 65121469 JMBOHTKOTNRIRU-QGZVFWFLSA-N 445.544 5.076 30 20 IKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(COC2CCCCC2)c1 195713624 QMEUSNZSNIXVCK-UHFFFAOYSA-N 434.584 5.003 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3ccccc3OCC(F)(F)F)c2)c1 237900516 REFLJWCCCZWAEX-UHFFFAOYSA-N 426.438 5.368 30 20 IKED N#CCC[C@H](Nc1nc(-c2cnccn2)nc2sc3c(c12)CCCC3)c1ccccc1 301770356 FPYJYNQXUUWDAZ-SFHVURJKSA-N 426.549 5.484 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 302950016 BYKQCCDIJYLUCE-OAHLLOKOSA-N 439.968 6.057 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)cc2)c1 303398966 ZPHYYBJOEYWOIP-UHFFFAOYSA-N 435.439 5.647 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1ccccc1)Cc1ccccc1 303424284 ZGSFMIOLOXMMPO-NRFANRHFSA-N 429.589 5.722 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 409799155 VXVUFQMDBNQZHL-RTBURBONSA-N 438.314 6.103 30 20 IKED CC(=O)Nc1ccc(-c2noc(-c3sc4ccc(C#N)cc4c3C)n2)cc1C(F)(F)F 426629511 QUDJKGBKQOKMLR-UHFFFAOYSA-N 442.422 5.776 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc3c(c2)C(=O)CCC3)cc1 428753376 NIGQCIIDZSVAPE-UHFFFAOYSA-N 427.479 5.451 30 20 IKED N#C[C@H]1CC[C@@H](Sc2nnc(CNc3cccc(C(F)(F)F)c3)n2C2CCCCC2)C1 430096469 GIPMABQXUTXAMN-HNAYVOBHSA-N 449.546 6.199 30 20 IKED Cc1ccc(-n2ncc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)c2C(F)(F)F)cc1 430636781 ZPIIRBVZQSKDNS-CQSZACIVSA-N 432.471 5.444 30 20 IKED COCc1nc(CNC(=O)N[C@@H](CCCC#N)c2ccccc2)c(-c2ccccc2)s1 431302263 NKFSCHBOCIGKMQ-FQEVSTJZSA-N 434.565 5.191 30 20 IKED N#Cc1ccc(NC(=O)N2CCC3(CCN(Cc4ccccc4)CC3)C2)cc1C(F)(F)F 432957806 CRFYRSQXRMMJJJ-UHFFFAOYSA-N 442.485 5.097 30 20 IKED CCOC(=O)c1ccc(C#N)c(S[C@H](c2ccccc2)c2nc(-c3ccccc3)no2)n1 435232278 KHIMSZPSJPGVNQ-HXUWFJFHSA-N 442.500 5.062 30 20 IKED O=C(NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1cc(F)c(F)c(F)c1F 437018651 JWPWVRNXNZXXHQ-UHFFFAOYSA-N 434.336 5.315 30 20 IKED N#C[C@H](C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1)c1ccc(C(F)(F)F)cn1 437550822 SRJQEABXXYCTOX-KRWDZBQOSA-N 425.341 5.538 30 20 IKED C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)c1 438654754 HWRRQYCQYPPKMX-UHFFFAOYSA-N 447.491 5.244 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCc1nc(COC)sc1-c1ccccc1 441784578 FPNDLXWURHNJJF-UHFFFAOYSA-N 435.593 6.130 30 20 IKED CC[C@@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 442203924 AORRYDOWYAPCEA-QFIPXVFZSA-N 445.494 5.428 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 443975240 YYJBEYFSLGLAMH-UHFFFAOYSA-N 436.281 5.333 30 20 IKED CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1 463838763 ZXCYZXQVGCBLLC-KRWDZBQOSA-N 440.927 5.198 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)c1ccoc1C(F)(F)F 464051864 IITJQOQVISASNO-UHFFFAOYSA-N 437.283 6.224 30 20 IKED CSc1cccc([C@H](NC(=O)N(C)Cc2cccc(C#N)c2)c2cc(F)ccc2F)c1 466243455 IQBUKXBQGLRDSC-QHCPKHFHSA-N 437.515 5.489 30 20 IKED COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)Nc1ccccc1SC[C@@H](C)C#N 470364240 SJGURAYTQONHJU-GJZGRUSLSA-N 433.961 5.649 30 20 IKED N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 470832030 PPTGNECPSSDTQU-IBGZPJMESA-N 426.863 5.197 30 20 IKED N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)cc1 471100684 UJHYWEZNSBNHJF-CYBMUJFWSA-N 442.224 5.127 30 20 IKED CCCC(C#N)(CCC)NC(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1 475745140 FPUDYNFYVGYCTN-UHFFFAOYSA-N 432.362 5.324 30 20 IKED COc1ccc([C@H]2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)C2)cc1 481571547 OOKUUDMUVDJKKL-NRFANRHFSA-N 445.494 5.306 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCn2cnc3ccccc32)cc1Cl 482561737 XKMDXPAZGYTIGU-HXUWFJFHSA-N 429.911 5.167 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccccc4Cl)c3C)n2)cc1 483281172 GINVAMUZGFVIBO-QGZVFWFLSA-N 448.935 5.456 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NCc3cccc(NC(=O)C4CCCC4)c3)c2)cc1 483409125 PMLNBSGLGWXCSG-UHFFFAOYSA-N 439.515 5.409 30 20 IKED O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccc(F)cc1C(F)(F)F 487235615 VFQJKCPSAZECOE-UHFFFAOYSA-N 449.366 5.342 30 20 IKED C[C@@H](Sc1nnc(-c2ccc3ccccc3c2)o1)C(=O)Nc1ccc(C#N)c(Cl)c1 488713577 MCAQVQVQWNNDIV-CYBMUJFWSA-N 434.908 5.534 30 20 IKED N#Cc1c(F)cccc1N[C@@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1 498918840 SBIQIBZNPSPINB-HXUWFJFHSA-N 442.263 5.391 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc(C)c1OCc1cccnc1 503451051 VKLKSUQWFYLVBG-IBGZPJMESA-N 446.457 5.512 30 20 IKED COc1cc([N+](=O)[O-])c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1SC 503570517 ASQKIIZOADYRKW-LLVKDONJSA-N 433.898 5.078 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3c(C)cccc3C)n2)o1 504553917 IPSBMRGSUUSWIN-UHFFFAOYSA-N 445.466 5.888 30 20 IKED C=C(C)[C@@H](NC(=O)Nc1cccc2c1CN(CC(F)(F)F)C2)c1ccc(F)c(F)c1 504825463 OMBFUAFPZQNVGI-LJQANCHMSA-N 425.401 5.282 30 20 IKED CC(C)(C)n1nc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1C1CC1 505356328 UUCQMJSAELIKLE-HSZRJFAPSA-N 428.536 5.089 30 20 IKED Cc1nc(COc2cccc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)c2)cs1 505977104 QIEPMZYEVUEGLH-LJQANCHMSA-N 432.332 5.332 30 20 IKED CC(C)(CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 511487652 BBKQHZHCZRLWSA-JOCHJYFZSA-N 445.950 5.028 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C1CC1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 511979450 WLJKRXDBOAGNMY-LBPRGKRZSA-N 428.863 5.145 30 20 IKED C=CCOc1c(Br)cc(CNc2ccc(N3CCCC3=O)cc2)cc1OCC 512979327 NFYWTPCJYLAPIO-UHFFFAOYSA-N 445.357 5.152 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 515442451 UTDDAYSZPHORKS-MRXNPFEDSA-N 439.943 5.022 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)c2ccccc2Cl)cc1 516044759 OAZXSKWJEMKTTM-QFIPXVFZSA-N 449.913 5.125 30 20 IKED C[C@](C#N)(NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)C1CCCCC1 516400010 OXFXLDKPVXLPGW-OAQYLSRUSA-N 435.355 5.345 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1ccc(Cl)c(C(F)(F)F)c1 517447979 ZXYTYDLVELWOAF-GFCCVEGCSA-N 444.931 6.341 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1cccc(Cl)c1 517527054 IOPBZYHWUZJNFW-KXBFYZLASA-N 427.957 5.036 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1nn(-c2ccccc2)c2c1CCC2 518259793 PAVQAJNVIYWWGB-KRWDZBQOSA-N 431.565 5.077 30 20 IKED CSc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1[N+](=O)[O-] 518668283 ZMTXYVVJALYXMY-UHFFFAOYSA-N 441.456 5.594 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1 519874875 RVFSJHXGONTQJT-UHFFFAOYSA-N 434.499 5.412 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)Cc1cnc(-c2ccc(Br)cc2)s1 521259800 VZBCQFWJPRXCFQ-UHFFFAOYSA-N 433.371 5.236 30 20 IKED CCN([C@H](c1ccc(C(C)C)cc1)c1cccnc1)S(=O)(=O)c1ccc(C#N)cc1F 530712884 OIOSVSBXMJNZPW-XMMPIXPASA-N 437.540 5.016 30 20 IKED COc1ccc(C[C@H](C)CNC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC 534964979 HKMNPBUAILLWPC-DLBZAZTESA-N 427.570 5.098 30 20 IKED N#Cc1cccc(OCCCCC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1 535447386 SJIKTPQVLVFRAI-UHFFFAOYSA-N 439.968 5.243 30 20 IKED COc1ccccc1[C@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccccn1 535553150 FDQZNHKFEOSXSJ-MHZLTWQESA-N 449.510 5.060 30 20 IKED C=C[C@H](CC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1)c1ccccc1 536189233 YCVYUCCMTHRSMY-HXUWFJFHSA-N 425.532 5.575 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCc4ccc(Cl)cc4C3)c2)cc1 536409212 FAGQUMTUOVIDKB-UHFFFAOYSA-N 431.923 5.575 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ncccc3C(F)(F)F)cc2Cl)c1 538843093 IUMMKNTVLWRCNY-UHFFFAOYSA-N 431.801 5.457 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nn1[C@@H](C)C1CC1 539679257 IMYNQRKQHOPNPD-BLLLJJGKSA-N 445.375 6.083 30 20 IKED C[C@H](NC(=O)Nc1cccc(N2CCCNC2=O)c1)c1ccc(-c2cccc(C#N)c2)cc1 542026404 OJTVSBBSVIZASZ-SFHVURJKSA-N 439.519 5.028 30 20 IKED Cc1nn(-c2ccccc2)c2nc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)ccc12 543986509 WTUVTQCOSAYMLP-HXUWFJFHSA-N 435.512 5.343 30 20 IKED CCN1C(=O)CCc2cc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)ccc21 544764805 NYVJSQWLZKWRBA-UHFFFAOYSA-N 429.451 5.041 30 20 IKED N#Cc1ccc(Br)c(CS(=O)(=O)[C@H](c2ccccc2)c2ccc(F)cc2)c1 549569616 QDNGDYLYOZMHEG-OAQYLSRUSA-N 444.325 5.164 30 20 IKED CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 550313572 FAGKUXXXGVFBDY-HXUWFJFHSA-N 442.416 5.066 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3F)s2)nnc1-c1ccc(F)cc1 551048205 JBBNHLQFQCEADW-CYBMUJFWSA-N 441.532 5.781 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)c1 556971624 GEXRBMOEDUGULX-UHFFFAOYSA-N 428.250 5.509 30 20 IKED C=C(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(OCC2CC2)CC1 559022040 CHWXDVZEESAPBH-UHFFFAOYSA-N 448.567 5.089 30 20 IKED COc1ccc(/C=C2\CCn3c2nc2sc(C)c(-c4ccccc4)c2c3=O)cc1C#N 562246703 NKJOWKOTZJKFME-LDADJPATSA-N 425.513 5.258 30 20 IKED CC(C)Oc1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c(C(F)(F)F)c1 569875454 TVDGILGPKXSQQH-UHFFFAOYSA-N 447.457 5.440 30 20 IKED CC(C)[Si](C(C)C)(C(C)C)n1cc(B2OC(C)(C)C(C)(C)O2)c2nc(Cl)cnc21 575432225 SCOLMXVFVFVHOG-UHFFFAOYSA-N 435.881 5.408 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NCc3cc(F)c(C(F)(F)F)cc3F)cc2)ccn1 589366301 DHQSJBLFNJSSTQ-UHFFFAOYSA-N 448.351 5.364 30 20 IKED C=C(C)COc1cccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c1 589381943 CZDVPCNOBHFXDW-UHFFFAOYSA-N 428.532 5.286 30 20 IKED COc1cccc(/C=C(\CC(=O)Nc2ccccc2C#N)c2nc3ccccc3s2)c1 598544384 VKGHRRQUPPNJHG-CPNJWEJPSA-N 425.513 5.746 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C)Sc1nc2c(c(-c3ccco3)c1C#N)CCC2 598583771 VAYQKZQAQOUYJY-MRXNPFEDSA-N 445.588 5.946 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cnn1-c1cccc(Cl)c1 603623317 RVINTFIXUNUANW-UHFFFAOYSA-N 429.867 5.145 30 20 IKED N#C[C@@H](C(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1nc(-c2ccncc2)cs1 604005407 CICMOMNIPAJCKO-NRFANRHFSA-N 445.931 5.928 30 20 IKED CN(Cc1cccc(Br)c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604086038 HJYZGHSADCFMEX-UHFFFAOYSA-N 437.297 5.172 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H]3CCCO[C@@H]3c3ccccc3)cn2)c1 604428852 HRQLAHSNBRGCSI-GBXCKJPGSA-N 428.492 5.035 30 20 IKED Cc1cc(-c2cc(C(=O)N(C)c3cccc(C#N)c3)c3cnn(C(C)C)c3n2)c(C)s1 604433905 WWPCRKAUFJERMS-UHFFFAOYSA-N 429.549 5.506 30 20 IKED Cn1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(-c2cccnc2)n1 604480304 KPFDAOIDECIGFH-UHFFFAOYSA-N 429.867 5.052 30 20 IKED COC[C@H](NC(=O)NCc1ccc(F)cc1C(F)(F)F)c1cccc(C(F)(F)F)c1 605348979 WISCTVDOQCXDFW-INIZCTEOSA-N 438.343 5.050 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(N4CCCC4)nc3)cc2Cl)c1 609072829 JFMUJZUMEMTUNZ-UHFFFAOYSA-N 432.911 5.038 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(OCCc4ccccc4)CC3)c2)cc1 609209574 CJRRUKKYVHCCQP-UHFFFAOYSA-N 441.531 5.606 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCc4c(Br)cccc4C3)c2)cc1 609209734 KBKNXTHFRKKFDW-UHFFFAOYSA-N 448.320 5.703 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(C(F)(F)F)(C(F)(F)F)C3)c2)cc1 609773108 XEVFJYUMTGGEOV-UHFFFAOYSA-N 443.347 5.699 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1 610142988 SDLIYKVSENJZJY-UHFFFAOYSA-N 425.467 5.322 30 20 IKED C[C@@H](NC(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1cccc(C#N)c1 610350056 MVISQUYXVKSFQG-HXUWFJFHSA-N 435.531 5.030 30 20 IKED CO[C@@]1(C(F)(F)F)CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 614930291 SYHCBSWYOUHEDO-NRFANRHFSA-N 433.430 5.234 30 20 IKED O=C(c1csc(-c2ccc(F)cc2)n1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618301761 VOLTVGYICKHNOP-PHIMTYICSA-N 426.357 5.152 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)CC1 619726902 WNTVRUZEIYRTMR-UHFFFAOYSA-N 434.902 5.630 30 20 IKED Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2ccccc2)c1C 619820147 NNMPWGZHWMNYLR-HFZDXXHNSA-N 429.568 5.213 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1C[C@H]1c1c(F)cccc1F 684799626 YOFLSTXSMRAPCC-RSVSFAPFSA-N 430.339 5.029 30 20 IKED CCOc1cc(/C=C2\CCc3sccc3C2=O)ccc1OCC(=O)Nc1ccccc1 726892777 OOIKGWKBJMTBPF-NBVRZTHBSA-N 433.529 5.377 30 20 IKED CC(C)CC(=O)N[C@@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 727368935 RPRMYHDSQRNZCW-AOYPEHQESA-N 425.532 5.184 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4cccc(C(F)(F)F)c4)CC3)n2)cc1 727626863 HTLMMYAAMAHQLC-SFHVURJKSA-N 426.463 6.045 30 20 IKED N#C[C@@H](C(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1nc(-c2c(F)cccc2F)cs1 727631323 DFMVKXWMBBBOPY-AWEZNQCLSA-N 448.416 6.015 30 20 IKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 728083470 WXSXSDNHIVAGMD-GCJKJVERSA-N 447.604 5.673 30 20 IKED C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C 729231865 AWZAGMKXAQGFIC-INIZCTEOSA-N 425.504 5.303 30 20 IKED C[C@@H](C#N)Oc1ccc(/C=C(/CC(=O)O)c2nc3cc(C(F)(F)F)ccc3s2)cc1 730437943 WSHXIBOFVRYHRR-QENILXLESA-N 432.423 5.621 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cc2ccccc2s1 730685125 AFWVUZWHHKLDQN-JTSKRJEESA-N 439.540 5.373 30 20 IKED C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)/C=C/c1cccc(Br)c1 731340783 RGYNJKIQTJYXMI-IEZBTEQYSA-N 437.384 5.256 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3c3ccccc3C(F)(F)F)cc2)nc1 732071918 QBFMJXNEINQRJT-NRFANRHFSA-N 437.421 5.742 30 20 IKED O=C(/C=C/c1cc2ccccc2nc1N1CCOCC1)c1nc(-c2ccccc2)cs1 732572186 ZUJPKQOXRNBCLF-ZHACJKMWSA-N 427.529 5.091 30 20 IKED FC(F)(F)c1cc(NN=C(CC2CCCCC2)c2ncccn2)nc(-c2cccnc2)n1 733903917 SMAOLNVAYSMXRN-UHFFFAOYSA-N 441.461 5.134 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Oc2cccc(NC(=O)c3cccs3)c2)c1 734115985 FDYMKBHIHPWSED-UHFFFAOYSA-N 444.468 5.263 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cccc(N3CCOCC3)c2)c1 735009900 RARWLTLUOOYTRV-UHFFFAOYSA-N 433.895 5.093 30 20 IKED C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 739155310 PBNJRAIUOSCHRN-IAQYHMDHSA-N 443.252 5.538 30 20 IKED Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)/C=C/c1ccccc1C#N 741739824 GPHUELMJEWRJMW-SDNWHVSQSA-N 438.506 6.255 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN(CC)[C@H](Cc2ccc(F)cc2)C(C)C)c1=S 743399442 LQIUFECNMCOHQV-JOCHJYFZSA-N 439.604 5.348 30 20 IKED C#CCOc1ccc(C(=O)OCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)cc1 745217617 NSMNVPQMBISXKC-UHFFFAOYSA-N 447.101 5.108 30 20 IKED CCN(Cc1ccc(OC)cc1OC)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 746658066 ATYOJXIECQOIHE-DEOSSOPVSA-N 429.520 5.413 30 20 IKED Cn1c([C@@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)nc2ccccc21 747111833 ISAYFOAFTASVSR-HNNXBMFYSA-N 441.343 5.423 30 20 IKED Cc1ccc(-c2nn(CN3CCC[C@@H]3[C@H](C#N)c3ccccc3)c(=O)c3ccccc23)cc1 751933893 LROVKKKQJWJBTA-CLJLJLNGSA-N 434.543 5.101 30 20 IKED CCOC(=O)Nc1ccc(N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1C#N 752800529 XIQGRJPWWLVSEJ-QGZVFWFLSA-N 428.492 5.552 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cs1 759118703 COQUCYHTLDIDLA-XYOKQWHBSA-N 445.544 5.262 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccnc(Oc2ccccc2)c1 764752571 ZDNRULUNQLOAEB-UHFFFAOYSA-N 429.263 5.202 30 20 IKED C=CCn1c(-c2cnccn2)nn(CN(Cc2ccc(Cl)c(Cl)c2)C(C)C)c1=S 764903150 YJONLLRYZBYQQE-UHFFFAOYSA-N 449.411 5.232 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)c1=S 765041154 XYQOQQVZJHFEOP-NFBKMPQASA-N 449.624 5.089 30 20 IKED C=CC[C@H](N[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21)c1ccncc1 769686639 CTPCRTDXYRFMDP-VRUMLPLGSA-N 435.568 5.192 30 20 IKED CC[C@H](c1ccccc1)N1CC(=O)N(c2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1=O 771819578 QFUCTOBKDLMZFN-ISKFKSNPSA-N 443.934 5.915 30 20 IKED C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 772310433 IGHJKQAOKDESQP-NQIIRXRSSA-N 449.551 5.063 30 20 IKED O=C(O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccc(-c2cncnc2)cc1F 774131924 SVKYHEMZLLUDBD-QGZVFWFLSA-N 444.306 5.762 30 20 IKED CCCCCCn1c(-c2c[nH]c3ccccc23)nn(CN2CCSC[C@@H]2C#N)c1=S 774642739 KJNOVLBRFDSWPA-KRWDZBQOSA-N 440.642 5.041 30 20 IKED N#Cc1cc(NC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)c(Cl)c([N+](=O)[O-])c1 782545791 XGECTOQYCNRPQJ-UHFFFAOYSA-N 444.196 5.462 30 20 IKED CN(Cc1ccccc1)Cc1cccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)c1 784829459 RFAUBCHENBSIHL-NRFANRHFSA-N 449.913 5.072 30 20 IKED N#C[C@H](C(=O)[C@H]1CCC(=O)c2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 793122550 CBYIBJTXPXXVEV-DOTOQJQBSA-N 441.339 6.053 30 20 IKED COc1ccc([C@@H](C)C(C)=NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1OC 794511390 APAUEXJLTLVIJX-ZDUSSCGKSA-N 445.445 5.166 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnn(Cc3ccccc3)c2Cl)cc1 795203411 AZSCTYKBZHLIBB-JOCHJYFZSA-N 426.907 5.493 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(Cc4ccccc4)c3Cl)n2)cc1 796798450 QCDRCJAHRWLXFC-SFHVURJKSA-N 432.936 5.507 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2ncnc(Cl)c2C(C)C)cs1 797404557 PUQDTOXCVNYBRE-UHFFFAOYSA-N 428.949 5.149 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)n2)cc1 797943756 VWXDFMODBRWUSP-UNMCSNQZSA-N 447.560 5.246 30 20 IKED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1oc2ccccc2c1CSc1nc(C)cs1 798040263 IKDJKLPFOSGHTQ-BEFAXECRSA-N 428.579 5.201 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 799614567 PJNGJNGUSMEEQT-MSYCTHLASA-N 434.565 5.023 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(Br)cc3nc[nH]c23)cc1 800415623 UWZMULNBOFAVOV-LJQANCHMSA-N 431.293 5.233 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(CN2CCCC2)cc1 805855809 NSAUURNPSFJRIF-HSZRJFAPSA-N 439.515 5.036 30 20 IKED C#C[C@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1)c1ccc(Cl)cc1F 806233844 ZHPSILXELGWRMQ-SFHVURJKSA-N 425.847 5.129 30 20 IKED CCCCCCCCc1nnc(NC(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)s1 808811215 PWSXZDWQIMGADE-QGZVFWFLSA-N 446.621 5.851 30 20 IKED N#Cc1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1Br 808871231 GELWMQAKSRPVTR-OAQYLSRUSA-N 447.288 5.027 30 20 IKED N#C[C@H](C(=O)CSCc1ccc(Br)cc1)c1nc(-c2ccccc2)cs1 914527099 IGYHGZOWQZUUNP-QGZVFWFLSA-N 443.391 5.682 30 20 IKED CC(=NNc1ncccc1C(F)(F)F)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 915050264 IZSQUNRMCASAFZ-UHFFFAOYSA-N 448.470 5.046 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2ncccc2C(F)(F)F)cs1 915050336 KMSPKHYMBBRKBP-UHFFFAOYSA-N 433.459 5.304 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ccccc2Br)cc1 916950684 VTVZEJPWCOZWFX-HNAYVOBHSA-N 427.342 5.243 30 20 IKED N#Cc1cccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 916997063 SJUSCPLUABAUEI-MRXNPFEDSA-N 428.300 5.244 30 20 IKED N#C[C@@H](C(=O)/C=C/c1cc(Br)ccc1F)c1nc2ccccc2n1C(F)F 917040649 NETWWYDILMRGSK-LJLILKBBSA-N 434.215 5.223 30 20 IKED CCn1c(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)nc2ccccc21 917536709 UXUZKJHLFKRRIM-UHFFFAOYSA-N 447.951 5.339 30 20 IKED CC(=O)N(c1nc(COC(=O)c2cccc(CC#N)c2)cs1)c1c(C)cc(C)cc1C 919314100 RKHATQQAPHEFFQ-UHFFFAOYSA-N 433.533 5.176 30 20 IKED N#Cc1ccsc1NC(=O)COC(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 919363716 GSHDOJDIFVTRMR-UHFFFAOYSA-N 448.397 5.240 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 920102544 UXFIIYYIPUCXBJ-IBGZPJMESA-N 438.512 5.391 30 20 IKED Cc1sc2nc(CCC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)nc(O)c2c1C 920344932 SYHWXRCPVCNCSU-HXUWFJFHSA-N 442.544 5.241 30 20 IKED COc1cc(C#N)cc(Cl)c1OC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 921149630 XGIFRHWEJVEHKE-UHFFFAOYSA-N 439.707 5.870 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc4ccccc4c3)CCC2)cc1 1785934543 BVEIGTJCKCCSLR-UHFFFAOYSA-N 425.532 5.066 30 20 IKED CCCC(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)cc2)CCC1 1790785190 UQUNZHGBLWPBTI-UHFFFAOYSA-N 429.442 5.125 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccoc4s3)CCC2)cc1 1791299676 WWCXDVIAMKVXRZ-UHFFFAOYSA-N 430.476 5.453 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)CCc3c[nH]c4ccc(F)cc34)cc2)CCC1 1791489579 SHAPTSMTNNCREN-UHFFFAOYSA-N 445.538 5.177 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)Cc3c(F)cccc3Cl)CC2)C1 1804857639 MRTPHLOLWLXSHU-UHFFFAOYSA-N 449.010 5.245 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)/C=C\c3c[nH]c4ccccc34)CC2)C1 1804860083 XGLKSOPLGLCXKV-QXMHVHEDSA-N 447.623 5.405 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)/C(C)=C/c2cccs2)[C@@H]1c1cccnc1 1810176344 XETIGGQFOLOTMQ-OIOFWSRHSA-N 449.620 5.021 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)ccc2C)[C@H]1c1cccnc1 1810503930 WRPQLEVYKVUEIT-VWNXMTODSA-N 433.596 5.010 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2)[nH]n1 1819307249 DMXNEVOGLGSMSB-AZUAARDMSA-N 426.948 5.137 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccsc3[nH]2)[nH]n1 1819309093 MKFHMRRTWJVXDC-APWZRJJASA-N 437.569 5.027 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2C2CC2)n[nH]1 1823131477 OEIWEHFRWIKGRO-CVDCTZTESA-N 432.568 5.361 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(OCC)cc2)=C(/S)Nc2ccc(C)cc2)cc1 22730923 WSZRMAVSFNYSAM-UHFFFAOYSA-O 433.597 5.685 30 20 IKED C=CCn1c(Cc2csc(NC(=O)CCc3ccc(C(C)(C)C)cc3)n2)n[nH]c1=S 23041869 IHYOQORYFLVKIE-UHFFFAOYSA-N 441.626 5.043 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2cc(C)[nH]c2C)[n+]2ccc3c(c2)CCCC3)cc1 23604307 LNVBBKVCKTZFEP-UHFFFAOYSA-O 448.612 5.247 30 20 IKED Cc1nc(Cc2ccccc2)sc1/C(O)=N/c1nc(CN2CCC[C@H](C)C2)cs1 30556014 ZAUOUDQBBGVEHO-HNNXBMFYSA-N 426.611 5.367 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1ccc(Cl)c2cccnc12 31649699 KDUWGCPTWQUXQV-UHFFFAOYSA-N 440.931 5.676 30 20 IKED C=CCn1c(S[C@H](C)c2nc(C)no2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 31698580 NVQUKFIREDXKAL-GFCCVEGCSA-N 442.541 5.303 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C(=O)Nc1ccccc1)c1ccccc1 32786350 WWEAUVXJGNDZQG-XMMPIXPASA-N 440.572 5.527 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C 63391341 TZOCOLQAUHMOOS-UHFFFAOYSA-N 444.491 5.376 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 63394227 OQFOQJKYKFZCJI-LJQANCHMSA-N 445.903 5.026 30 20 IKED C[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1cccc(NC(=O)Cc2ccccc2F)c1 237502047 JGKOOZAQSFKVKO-HXUWFJFHSA-N 444.554 5.208 30 20 IKED CCOc1ccc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1F 303295888 HVSVXWXSVGWDII-UHFFFAOYSA-N 433.483 5.191 30 20 IKED CC(C)[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nc(C2CC2)no1 303711097 ZCIKKADANWXZET-FQEVSTJZSA-N 436.899 5.391 30 20 IKED CC1(C)CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 432700434 SMHHVLWUGBYDGT-FQEVSTJZSA-N 445.485 5.891 30 20 IKED Cc1sc(CNCc2cn(CCC#N)nc2-c2ccncc2)nc1-c1ccc(Cl)cc1 433316268 HUENMKZYWFGETB-UHFFFAOYSA-N 448.983 5.234 30 20 IKED Cc1cc(-c2cc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c3c(C)noc3n2)c(C)o1 436325326 NOUBFFIJHYEIRP-FYYLOGMGSA-N 440.503 5.320 30 20 IKED C[C@@H](Sc1ccccc1)c1ccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 438871334 YHEUJOPAIWQONR-LJQANCHMSA-N 443.576 5.161 30 20 IKED Cc1cc(C#N)ccc1C(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 439076801 JMLDHLYYKFFOGI-UHFFFAOYSA-N 443.890 6.006 30 20 IKED C[C@@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)N(CCC#N)c1ccc(F)cc1 439668407 DTNJWMVYUOHHNT-QGZVFWFLSA-N 446.457 5.376 30 20 IKED Cc1cc(Sc2ncccn2)ccc1NC(=O)c1cn(CCCC#N)c2ccccc12 444147293 RFUCWGTVMQBQFM-UHFFFAOYSA-N 427.533 5.447 30 20 IKED N#CCCCn1cc(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)c2ccccc21 444268269 MAPWESFAPCAESP-UHFFFAOYSA-N 428.511 5.585 30 20 IKED C=CC[C@H]1N(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)CCCC1(C)C 444903369 XYFIKGPOEJSLQO-HXUWFJFHSA-N 425.552 5.409 30 20 IKED Cc1c(CSC(C)C)cccc1NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 460841642 HTPCSXKYERMJII-UHFFFAOYSA-N 428.501 5.328 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)sc2nc(C(F)(F)F)ccc12 464464313 HAIJFVSJZVIHDD-LLVKDONJSA-N 429.345 5.527 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(CCC(F)(F)F)c2)cc1C 465464291 FAOZYDDDMHQCCF-UHFFFAOYSA-N 440.469 5.828 30 20 IKED N#C[C@H]1N(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)CCC[C@]12CCCCO2 468138319 MILFJEKTFZWTJL-YLJYHZDGSA-N 436.364 5.184 30 20 IKED Cc1sc([C@@H](C)NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)nc1-c1ccc(Cl)cc1 471055117 GBVMORNWWFYIPN-KUHUBIRLSA-N 434.952 5.203 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@]2(C1)OCc1ccccc12 473672335 BQMRYHFLCYLORM-MHZLTWQESA-N 439.515 5.109 30 20 IKED N#CC[C@H](CC(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1)c1ccccc1 475524834 IIWJQWQGWJHQAE-UXHICEINSA-N 434.927 5.184 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 475576900 BETXJJCMRWAWAJ-UHFFFAOYSA-N 440.975 5.470 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1F)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 475597879 YOHPMXIXFLBKCR-MRXNPFEDSA-N 436.327 5.469 30 20 IKED Cc1cc(Br)cc(Cl)c1C(=O)N[C@H](C#N)c1cccc(Br)c1 480858455 TVTGYNCSFHOYKP-CQSZACIVSA-N 442.538 5.168 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2ccc(F)cc2)nnc1-c1cccc(Cl)c1 481342845 ROTPSRHCPVVUIA-HNNXBMFYSA-N 444.963 5.235 30 20 IKED CCc1c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cnn1-c1cccc(Cl)c1 482687799 YQRYIAAFIKANOS-UHFFFAOYSA-N 446.894 5.384 30 20 IKED N#C[C@H](C(=O)c1ccccc1CSc1nc2ccccc2o1)c1nccc2ccccc12 483221535 RTEOSFYKJRCGGR-NRFANRHFSA-N 435.508 6.158 30 20 IKED C=C(C)Cn1c(Sc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)nnc1-c1ccncc1 485399072 AVRGSDGGRUKCNY-UHFFFAOYSA-N 448.483 5.177 30 20 IKED Cn1c(Cc2cccs2)nc2cc(C(=O)N[C@@H](CCCC#N)c3ccccc3)ccc21 487622816 ZGNYDMDMYGZLHM-NRFANRHFSA-N 428.561 5.391 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1cccs1 489448312 RIBPZVUUKDOHHJ-NSHDSACASA-N 439.393 5.619 30 20 IKED CC[C@@H](C)c1ccc([C@@H](NC(=O)CCc2c(C)nn(CCC#N)c2C)c2cccs2)cc1 493665374 CWYSLEDPCHUXSA-WXTAPIANSA-N 448.636 5.827 30 20 IKED Cc1cc([C@H]2CN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)CCO2)ccc1F 497590531 JAIVWRGTIZCZSW-RUZDIDTESA-N 430.479 5.206 30 20 IKED N#C[C@@H](C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1nc2cc(Cl)ccc2s1 497896106 CXCKSRAIMVZSCF-KRWDZBQOSA-N 444.965 5.156 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1nc(-c2ccc(C)s2)cs1 500250708 BGECBNFDMPQVGD-UHFFFAOYSA-N 437.999 5.048 30 20 IKED N#C[C@@H]1N(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CCC[C@]12CCCCO2 505836856 DXSOMGKDOQCHPE-SIKLNZKXSA-N 448.350 5.035 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 505922578 JFFXXJKGFBOIMW-CQSZACIVSA-N 434.304 5.203 30 20 IKED CC1(C#N)CCN(CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)CC1 506051024 HNYZWDGQQXHESY-UHFFFAOYSA-N 448.567 5.108 30 20 IKED COc1ccccc1N1CC[C@@H](CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 506316141 NFNYSBQGWSNEDK-IBGZPJMESA-N 442.519 5.007 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c1 508435312 BPQUGIVDZMSOLF-UHFFFAOYSA-N 436.515 5.033 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H](c3ccccc3)c3ccccn3)c2)cc1 509910911 LEHSNUKLNAKWGF-MHZLTWQESA-N 448.526 5.638 30 20 IKED CC1CCN(c2ccc(CNC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)cn2)CC1 510662792 FBGILFGNDQPMBH-UHFFFAOYSA-N 441.535 5.304 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 510986002 OGJXJLZNDYRFNI-FQEVSTJZSA-N 430.932 5.127 30 20 IKED CC(C)Cn1ncc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C1CC1 511051663 LUKXVDWDEMWXSA-NRFANRHFSA-N 432.955 5.978 30 20 IKED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511423536 ZVHOUDRQOIHNLH-IBGZPJMESA-N 439.515 6.303 30 20 IKED N#Cc1c(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)sc2c1CCCCC2 512961844 MPCYIRCYJFQPEP-UHFFFAOYSA-N 434.011 5.908 30 20 IKED Cc1cccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c1I 515452003 OFLLSTKGWYSMTD-UHFFFAOYSA-N 444.297 5.452 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NCCC(=O)Nc1sccc1C#N 516685517 XKEBEMWGDJNLTG-GFCCVEGCSA-N 430.986 5.385 30 20 IKED Cn1nc(NC(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)cc1OC(F)F 517227228 DGZIVCHXXCVNRO-UHFFFAOYSA-N 446.348 5.042 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1OCC 517473660 ICQDHOCJWOBCAG-IAGOWNOFSA-N 427.570 5.618 30 20 IKED N#C[C@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)c1cccc(C(F)(F)F)c1 517605379 AOSRIZYLEPTUBB-ZDUSSCGKSA-N 429.250 6.222 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1cc(C#N)cn1C(C)(C)C 518125327 KWFLMAHVJQKXAX-UHFFFAOYSA-N 440.956 5.643 30 20 IKED CCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OC 518516674 RSXBZCQHQWECMZ-MRXNPFEDSA-N 442.924 5.369 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4cccc(Cl)c4)c3)n2)cc1 518516716 UGOHAYUFSGSOBZ-IBGZPJMESA-N 434.908 5.148 30 20 IKED COc1ccc(N(Cc2cccs2)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 518904601 SOYMZVRNSLOYGH-UHFFFAOYSA-N 441.512 5.663 30 20 IKED CCOc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 519051176 TWWOGPBXHAAOPM-VWLOTQADSA-N 427.504 6.118 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 520196988 NBSYOLYEXQKSEM-FOIQADDNSA-N 439.972 5.379 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)cc1 520722746 GITTZBLOGHYPCC-QHCPKHFHSA-N 436.870 5.357 30 20 IKED CC(C)(C)Cc1nc2cc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)ccc2o1 520885991 DSWUQMLHVYZZGI-UHFFFAOYSA-N 432.524 5.082 30 20 IKED Cc1noc(C)c1CSCC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 521735117 YLZJCVFMBFTNSM-UHFFFAOYSA-N 429.489 5.188 30 20 IKED Cc1cccc(-n2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)nn2)c1 522242268 AIQXAQDMRLWSCM-OAQYLSRUSA-N 427.895 5.137 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCCN(c3ccccc3)CC2)c1 522635658 RTGASFJJMXVUDP-UHFFFAOYSA-N 431.923 5.356 30 20 IKED COc1cccc(C[C@]2(C(=O)Nc3nc(C)c(SCC#N)s3)C[C@H]3CC[C@H]2C3)c1 522747525 JKPHSBJQZSRCHE-HOIFWPIMSA-N 427.595 5.063 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1C 523508355 XHVJZPSCZDXETG-UHFFFAOYSA-N 432.442 5.067 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N(CCC#N)c1ccc2c(c1)OCCO2 524700430 GJAIEFNEBBJSEM-UHFFFAOYSA-N 439.924 5.104 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@@H]2CC(=O)c2ccco2)cc1Cl 534884313 SYMAFVQISZCEME-GOSISDBHSA-N 434.879 5.475 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cncc(Br)c2)cc1 535301204 BCYGPJNVUZUHBH-UHFFFAOYSA-N 439.288 5.089 30 20 IKED C[C@H](c1nnc(SCCCC2(C#N)CCOCC2)n1-c1ccccc1)N1CCCCC1 537467205 JZPRQNXHRHADQH-HXUWFJFHSA-N 439.629 5.007 30 20 IKED CCCc1c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cnn1-c1cccc(F)c1 544292524 MVQHKFIJTCDELJ-UHFFFAOYSA-N 441.466 5.275 30 20 IKED COc1cc(C#N)ccc1NC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1 546004248 QSOQWMQIUPQYEQ-NRFANRHFSA-N 437.293 5.088 30 20 IKED CN(Cc1noc(-c2cccc(Oc3ccc(Cl)cc3C#N)c2)n1)C(=O)c1ccccc1 546436554 VIUXOJNLGPCWDZ-UHFFFAOYSA-N 444.878 5.326 30 20 IKED COc1ccc(CNc2ccc3c(c2)N(CC(F)F)CCS3)cc1OCCCC#N 551580938 KAKCEESEELBWTR-UHFFFAOYSA-N 433.524 5.167 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 558337963 BRYNCBFPJOBDMO-FUHWJXTLSA-N 447.526 6.369 30 20 IKED Cc1ccc(-c2cc(C(=O)Nc3cc(C#N)ccc3OC(F)F)c3c(C)noc3n2)cc1 560142278 CMHQMKJXYHGIBZ-UHFFFAOYSA-N 434.402 5.232 30 20 IKED COc1cc(OC)c2ncc(C#N)c(Sc3nnc(-c4ccc5ccccc5c4)o3)c2c1 561138763 OWXLAYQLKGCRDN-UHFFFAOYSA-N 440.484 5.478 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3ccccc3CC#N)c3cnn(C(C)C)c3n2)c(C)s1 564683980 VNCYKIMYEKSPGS-UHFFFAOYSA-N 429.549 5.676 30 20 IKED C=CCC[C@@H](NC(=O)N1[C@H]2CC[C@H]1CC(c1ccnn1C)C2)c1ccc(C(F)(F)F)cc1 567181911 OYJDHMRQYXCDPT-PCCBWWKXSA-N 446.517 5.566 30 20 IKED N#Cc1ccc(-c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)no2)cc1Cl 582812027 LNGHJALCJHIVCQ-UHFFFAOYSA-N 448.710 5.284 30 20 IKED CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)c2cccs2)cc1 585693067 BFTUIXSAJRKVRX-XFAGBWLFSA-N 445.588 5.216 30 20 IKED COCC[C@](C)(C#N)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)cc1)CC2 589038881 FYJFRKGUDAIQTR-MJFUUYGPSA-N 445.950 5.424 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2cccc(C(F)(F)F)c2)CC1 589306229 PTLRPBUVTYALOK-WDNDVIMCSA-N 447.341 5.763 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)c2sc(-c3ccc(F)cc3)nc2C)cc1 591498114 XYKSZLSPBIIGAY-OAHLLOKOSA-N 438.528 5.056 30 20 IKED CC[C@@H](C)c1ccc([C@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C(C)C)cc1 608996713 FKZNSPIMGYNCMR-KBMIEXCESA-N 433.600 5.132 30 20 IKED N#Cc1ccc(N2CCC(NC(=O)N(CC3CCCCC3)CC3CCCCC3)CC2)nc1 609001871 WNIUZPRXPHAGOD-UHFFFAOYSA-N 437.632 5.094 30 20 IKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)CCc1c(C)nc(O)c(C#N)c1C 609067413 YYNKLGXSOTVFQQ-IBGZPJMESA-N 429.520 5.295 30 20 IKED CCc1cccc(Oc2ccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cn2)c1 609206523 NJTUVNJLUBIDQS-UHFFFAOYSA-N 442.519 5.383 30 20 IKED CC1CCN(C[C@H]2CCCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)C2)CC1 609306460 VVRHWRXOZNGSLV-HXUWFJFHSA-N 435.543 5.074 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(COCc2ccco2)c1 609403017 KOMOIAOBIVSFDM-GOSISDBHSA-N 435.549 5.570 30 20 IKED COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)Nc1ccccc1S[C@H](C)CC#N 609434795 QTPLLKUOSSBMAZ-QUCCMNQESA-N 439.581 5.303 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(Oc4cccc(C(N)=O)c4)cc3)c2)cc1 609454797 FTJSYOZQLKYNMT-UHFFFAOYSA-N 449.466 5.494 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@H](C#N)c3ccccc3Br)cc2)cc1 609592117 BRUXLQWIMOKMQZ-JOCHJYFZSA-N 446.304 5.302 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCc2ccnc(N3CCCCC3)c2)c1 609723560 FEYJURFEMPEBEZ-UHFFFAOYSA-N 446.938 5.319 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)cc2)cc1 610630436 GCWYXEZSVNOZKI-CALCHBBNSA-N 443.347 5.555 30 20 IKED COc1ccc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)cc1OCc1cccnc1 611094179 PIOVHZYJVLHUCP-UHFFFAOYSA-N 428.275 5.100 30 20 IKED CCN(Cc1sc(N2CCOCC2)nc1-c1ccccc1)[C@H](C)c1ccc(C#N)cc1 611256427 MBSHOLXYVIMZJJ-LJQANCHMSA-N 432.593 5.101 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 611492566 KJZMXSZZZTXHMN-GJZGRUSLSA-N 442.359 5.553 30 20 IKED Cc1cccn2cc(COc3ccccc3C(=O)[C@@H](C#N)c3ccc4ccccc4n3)nc12 613292318 HHHXOQDBQCSUHD-QFIPXVFZSA-N 432.483 5.260 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3OCc3c(C)noc3C)n2)cc1 613314291 JBPDLRWMJRAQHT-FQEVSTJZSA-N 443.528 5.792 30 20 IKED O=C(N[C@H]1CCSc2c(F)cccc21)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642949334 IIAAAXWAFHDEMN-OXIWPEFWSA-N 444.416 5.571 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2cccc3c2OCCO3)cc1 727589064 GUBBGWREZCQPCH-RPWUZVMVSA-N 439.515 5.482 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccn(-c4ccccc4Cl)n3)cc2)c1 728006436 KUKPIPSELOVZNE-UHFFFAOYSA-N 428.879 5.229 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)c3ccccc3SCC#N)cc2C(F)(F)F)C[C@@H](C)O1 728037506 JDEZZGJGDGJWQC-GASCZTMLSA-N 449.498 5.187 30 20 IKED COc1cc(C=NNc2ccc(Br)cc2F)ccc1OCc1ccncc1 728432455 QFZVMSFWXBIILS-UHFFFAOYSA-N 430.277 5.017 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 730990158 UAFCJNDMLRFZHX-MRXNPFEDSA-N 425.554 5.467 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1csc(COc2ccc(F)cc2)n1 730995039 NRZGNYBQNWDGJB-CQSZACIVSA-N 427.526 5.365 30 20 IKED O=C(Nc1cccc(/C=C/C(=O)c2ccc(C(F)(F)F)nc2O)c1)c1ccc(Cl)cc1 731564759 SJRUHIYAPNLHKQ-ONNFQVAWSA-N 446.812 5.608 30 20 IKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC[C@H]2c2ccc(F)c(F)c2)c1=S 732981219 RLCRZSVXOTUZHU-FQEVSTJZSA-N 430.499 5.479 30 20 IKED FC(F)(F)c1cc(NN=Cc2cnc(-c3ccccc3)s2)nc(-c2ccccn2)n1 733080991 JBKKZIYMVOKGIG-UHFFFAOYSA-N 426.427 5.127 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)ccc1OC 733652799 GTGKVTGGMBEAON-BEFAXECRSA-N 449.473 5.298 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2oc3ccccc3c2COc2ccccc2)c1 733773860 FTHWJPRIZISPIU-HXUWFJFHSA-N 440.499 5.623 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc3ccccc3c2OC(F)F)cs1)C1CC1 734305561 BWQVTLKIDACNDE-XFFZJAGNSA-N 428.460 5.309 30 20 IKED C=CC[C@@H](NC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1)c1ccncc1 734683590 NULLYYOYLIXGDQ-HSZRJFAPSA-N 441.535 5.111 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2C[C@H](C)C[C@H]2c2cccc(F)c2)c1=S 742176278 SDHLADUITWAEDN-UTKZUKDTSA-N 438.572 5.455 30 20 IKED C[C@H](NC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F)c1cccc(C#N)c1 743149508 WJVVKIRHKAMUIH-ZDUSSCGKSA-N 448.445 5.807 30 20 IKED Cn1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1-c1ccccc1 744030164 ZXWOQZXIWQUQGB-OAQYLSRUSA-N 435.483 5.446 30 20 IKED C[C@H](CCOc1ccccc1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 745948218 WSYHTKWADOSXAD-KNQAVFIVSA-N 428.488 5.231 30 20 IKED CN(Cc1nc(C(F)(F)F)cs1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 746718149 NQULQSKTFWWBSD-QGZVFWFLSA-N 430.455 5.481 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCc3csc4ccccc34)n2)cc1 756241634 DDYJDNLFCYXLDT-HXUWFJFHSA-N 427.554 6.096 30 20 IKED CC(C)(C#N)c1ccccc1COC(=O)C1(c2ccc(Br)cc2)CCOCC1 768018579 XLHFYXILADXXIO-UHFFFAOYSA-N 442.353 5.042 30 20 IKED N#CCCn1cc(CNc2ccc(CC[C@@H](O)c3ccccc3)cc2)c(-c2ccccc2)n1 770560755 RJTRULVCNXSRMA-HHHXNRCGSA-N 436.559 5.742 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)ccc1NC(=O)OC(C)(C)C 772552770 YUBMAINSXJARRS-HXUWFJFHSA-N 443.503 5.456 30 20 IKED CCCN1C(=O)CCc2cc(NC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)ccc21 774108297 MJDSEDSCZSQIRD-UHFFFAOYSA-N 444.560 5.298 30 20 IKED COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)[C@@H](C#N)c2ccccn2)s1 776075669 CSQNRNMSASBYRM-SFHVURJKSA-N 440.528 5.376 30 20 IKED N#CCc1ccccc1CC(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1F 776836285 CSYAXSRYJMXVSU-HSZRJFAPSA-N 437.312 5.103 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)C1 777298143 WHHVKIJFIDSBOD-SZNDQCEHSA-N 433.961 5.163 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C)c(C)c2)[n+]2c(C)ccc(O)c2Cl)c1 777513468 BFRUZECUOFVEGB-UHFFFAOYSA-O 449.983 5.563 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccc2c1CCCN2C(=O)OC(C)(C)C 778609096 KIOGHBXPNVILKE-UHFFFAOYSA-N 431.536 5.074 30 20 IKED N#Cc1cccc(COc2ccc(NCc3csc(COc4ccccc4)n3)cc2)c1 779594618 KMWLDNZXDKNRHL-UHFFFAOYSA-N 427.529 5.785 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 780150759 WMAFFZVLTDLYMZ-ZDUSSCGKSA-N 442.338 5.045 30 20 IKED Cc1nc2c(s1)[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)CCC2 780511576 OURJHVXXPUHAON-JOCHJYFZSA-N 432.549 5.296 30 20 IKED Cc1cc(-c2nnc(COC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)o2)c(C)o1 783623964 ICVLQRDOVXAJSH-UHFFFAOYSA-N 429.432 5.162 30 20 IKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1CCCC#N 784128587 PLPHACNYLZOSEY-JOCHJYFZSA-N 448.592 5.130 30 20 IKED C[C@H](OC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 795821497 AOABUSSPYYNZNW-LRDDRELGSA-N 440.343 5.583 30 20 IKED N#CC[C@@H](CC(=O)OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 795983113 KDGXTSWRIMFIKU-ZDUSSCGKSA-N 425.699 5.216 30 20 IKED CC(C)(C#N)c1ccc(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1 796039360 FMWNNGAKLKYHAG-UHFFFAOYSA-N 425.699 5.243 30 20 IKED O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)[C@@H](F)c1ccc(C(F)(F)F)cc1 813293400 ISBCVJDIMSJOLE-HNNXBMFYSA-N 449.301 5.698 30 20 IKED C[C@@H](Cc1cnc2ccccc2n1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 815912852 AYPRWDHEFYGJHC-WFASDCNBSA-N 440.450 5.313 30 20 IKED N#C[C@@H](C(=O)CCc1cc(C(F)(F)F)ccc1Br)c1cnc2ccccc2n1 816045628 RJGMQUOAAFOIDG-CQSZACIVSA-N 448.242 5.220 30 20 IKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 916933839 JNHXNZKNRKAZHC-HNNXBMFYSA-N 445.327 5.692 30 20 IKED CCCOc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OCC 916944419 DDOCJCCGTAWFHU-QGZVFWFLSA-N 435.307 5.142 30 20 IKED O=C(Cc1ccccc1)Nc1cc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2O)ccc1F 917557063 VWAXELNPRWDQSW-UHFFFAOYSA-N 427.819 5.025 30 20 IKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 917773754 BPDNOKKXCKJDNK-QFIPXVFZSA-N 439.540 5.288 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)Cc1csc(-c2ccc(Cl)cc2)n1 920101815 JWJGSTSYRSNNGG-SFHVURJKSA-N 433.920 5.388 30 20 IKED CCn1ncc2c(C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cc(-c3ccccc3)nc21 920106703 YGMCRTSJQFFNRS-FQEVSTJZSA-N 447.498 5.113 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(COc2ccc(C)cc2C)o1 920109545 QXFSJXOUSHWQGN-JOCHJYFZSA-N 444.531 5.561 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CCC2)cc1 1785937645 PCLMNYKMFWQHPC-JCNLHEQBSA-N 435.490 5.039 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CCc3cnccc3C)CCC2)cc1 1786102357 JMMMPJRZWXTOLR-UHFFFAOYSA-N 431.580 5.225 30 20 IKED Cc1ccccc1-c1ncccc1C(=O)NC1(c2ccc(NC(=O)CCC#N)cc2)CCC1 1787886108 FWKPAAOUYIZZBH-UHFFFAOYSA-N 438.531 5.109 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cccc(C)n3)CCC2)cc1 1789449498 SMXNTZTUIKQVNR-QDEBQFNMSA-N 429.564 5.306 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc4ccoc4cn3)cc2)CCC1 1790833094 YZZVAMJNEAOQNQ-NRFANRHFSA-N 429.520 5.344 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@]3(F)CCCCC3(F)F)CCC2)cc1 1791298567 CDMPUOKLSRVJFV-HXUWFJFHSA-N 444.444 5.250 30 20 IKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(F)c(Cl)c1 1800706181 PFIPXIRAQOTIHA-BJWYYQGGSA-N 439.358 5.153 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 1824144876 KWSIHALNMAFHJS-TWJOJJKGSA-N 434.624 5.178 30 20 IKED Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(C)o1 1825881068 LXXXBVXKMKDPRJ-AVRWGWEMSA-N 447.579 5.071 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(C)snc3s2)CC1 1827414677 JFZBTDMIJCNDOJ-KXBFYZLASA-N 445.654 5.112 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3cc(C)[nH]c23)CC1 1828828130 DJRNWQUUDCLCHB-NOZRDPDXSA-N 447.623 5.478 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1831855856 PIBDHOSCWILEGE-OAQYLSRUSA-N 440.971 5.409 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc(C(C)(C)C)cc2)c(C)n1C 11170423 WATMTELTZZNQPN-UHFFFAOYSA-O 438.592 5.417 30 20 IKED COc1ccc(-c2nc(C)c(/C(O)=N/c3nc(CN4CCC[C@H](C)C4)cs3)s2)cc1 28677840 GTRZGQFHMFFWEI-AWEZNQCLSA-N 442.610 5.452 30 20 IKED C[C@H]1CCc2c(sc3nc(SC[C@H](C#N)CCC#N)n(-c4ccccc4)c(=O)c23)C1 61715670 DZWRKFRRWWBFQO-HOTGVXAUSA-N 434.590 5.108 30 20 IKED CC[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1nc(-c2ccccc2)c[nH]1 109422024 XGINLEQSRRYLCN-HXUWFJFHSA-N 426.476 5.001 30 20 IKED C=CCn1c(Sc2ncnc3sc(-c4ccccc4)cc23)nnc1-c1cccnc1 301073076 GNQGTRMFAZCWSR-UHFFFAOYSA-N 428.546 5.349 30 20 IKED O=C(c1ccc(C(F)(F)F)cn1)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 410167351 QZZATUMJFYPRRL-UHFFFAOYSA-N 436.327 5.100 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(NC(=O)C4CCCCC4)c3)CC2)cc1 429187919 LECSYYKMWHDCQZ-UHFFFAOYSA-N 446.551 5.152 30 20 IKED COc1ccc([C@@H](C)NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1Br 431774647 FRPGBTANPSKOGW-DNVCBOLYSA-N 430.346 5.253 30 20 IKED N#CCC1(CNC(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)CC1 432058222 VKYHJKXUTOHLNZ-UHFFFAOYSA-N 436.899 5.389 30 20 IKED C=CCC[C@H](NC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 435757815 CHILBQMKLLSFLV-FQEVSTJZSA-N 432.490 5.076 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc(-c2ccccc2F)no1 435983667 OFHBQUZJPXNVNF-CQSZACIVSA-N 442.541 5.142 30 20 IKED C=CCn1c(S[C@@H](Cc2cccc(Cl)c2F)C(C)=O)nnc1-c1ccccc1OC 436112517 HSBQWQNBKMLJSV-IBGZPJMESA-N 445.947 5.225 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)F)cc1F 437474002 NJQPNHVCRAVRSB-ROUUACIJSA-N 438.405 5.833 30 20 IKED Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 438071785 HTMJJIVVELHYTL-IRLDBZIGSA-N 437.609 5.645 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1cccc(COc2cccc(F)c2)c1 439544244 BYZNWFVWNPYHIF-LJQANCHMSA-N 447.510 5.161 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NC1CCC2(CCOCC2)CC1 439579489 GJZSGLNWTHOBQD-UHFFFAOYSA-N 439.369 5.025 30 20 IKED Cc1cc(Br)ccc1CN(C)CC(=O)Nc1ccccc1SC[C@H](C)C#N 444708365 QIAZUCPIKRQYFY-OAHLLOKOSA-N 446.414 5.080 30 20 IKED N#CCCn1cc(/C=C/c2nc(CC(=O)Nc3ccc(F)c(Cl)c3)no2)c2ccccc21 445371265 XTODVSVCGJECKH-RMKNXTFCSA-N 449.873 5.082 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(C)n1Cc1ccncc1 460373674 FJUWWRLYEPYEEU-SFHVURJKSA-N 448.498 5.440 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 466154626 UIAPZUPIKIZBHH-UHFFFAOYSA-N 440.425 5.106 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)c1cc(C#N)cs1 466916909 XUSHAXWGZHVHPU-SNVBAGLBSA-N 432.368 5.305 30 20 IKED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(=O)Nc1ccc(Cl)cc1Cl 469182386 JKNZJFMRCUXBNP-CQSZACIVSA-N 445.350 5.015 30 20 IKED N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(Oc3ccc(F)cc3)c3ccncc23)cc1 470891186 LRQSWYBOXTVUHS-LJQANCHMSA-N 436.446 5.359 30 20 IKED C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 473549246 JMNFKKIBLRZSHT-RKXCMPKHSA-N 436.508 5.060 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4nc(C(C)C)cs4)cc3)o2)c1 474432889 LNKLXROENIIPOG-LJQANCHMSA-N 428.517 5.782 30 20 IKED COc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(OC(F)F)c1 475358451 NUQDBTOJDQTBLV-UHFFFAOYSA-N 438.430 5.194 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(NC(=O)c2ccc(C)s2)CC1 475570132 RVPFYNBEHDQRAQ-UHFFFAOYSA-N 425.598 5.335 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1COc2c1ccc(C)c2C 480317383 DZLYIUANQROFRT-XMMPIXPASA-N 427.504 5.318 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(-c2ccco2)nn1-c1ccc(C)cc1 480747284 IBJCFECBGHNSNR-UHFFFAOYSA-N 446.507 5.136 30 20 IKED C=CCn1c(SCC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)nnc1-c1cccs1 481366496 CKZVOQARFBANOQ-KRWDZBQOSA-N 438.622 5.112 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N(Cc3ccco3)C[C@H]3CCCO3)cc2F)c1 481571023 JAGZTEYUWQLHNU-JOCHJYFZSA-N 449.482 5.082 30 20 IKED CN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H](c1ccncc1)c1ccc(Cl)cc1 483646941 SNIWYSIQCCISRB-HXUWFJFHSA-N 442.853 5.461 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC(N4CCc5ccccc5C4)CC3)c2)cc1 486722856 IGDWJZBZHLKOKH-UHFFFAOYSA-N 437.543 5.013 30 20 IKED Cc1cc(-c2cc(C(=O)N[C@@H](CCCC#N)c3ccccc3)c3c(C)noc3n2)c(C)o1 487503976 RCMYGUJBUBZBRQ-NRFANRHFSA-N 428.492 5.573 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2c(F)cccc2Br)cc1F 487567588 XVFCZWSMZFAKLA-UHFFFAOYSA-N 429.220 5.644 30 20 IKED C=CCn1c(S[C@H](CCCC)C(=O)Nc2cc(C)on2)nnc1-c1ccccc1C 488898365 NWDUWKQSJOZGPH-GOSISDBHSA-N 425.558 5.026 30 20 IKED Cc1c(NC(=O)c2ccccc2Sc2ccccc2C#N)cccc1C(=O)N1CCCC1 499526173 CQECTDPLXNUQDC-UHFFFAOYSA-N 441.556 5.506 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc2nc(C(F)F)sc2c1 500255553 KJKGSQBNOZZWLM-UHFFFAOYSA-N 441.912 5.102 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 502592229 DMDXOKQGAQGVSC-UHFFFAOYSA-N 427.464 5.302 30 20 IKED CCCN(C(=O)CCc1c(C)nn(CCC#N)c1C)[C@@H](C)c1ccc(Cl)c(Cl)c1 502793218 SJIKULVTNNQKHE-INIZCTEOSA-N 435.399 5.653 30 20 IKED N#CCCSc1ccccc1NS(=O)(=O)c1c(Cl)cc(F)cc1Br 504247695 VVURZIZUCIKPBQ-UHFFFAOYSA-N 449.754 5.048 30 20 IKED COC(=O)CCSCc1cccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 504864981 NMVXORDKTYHQKK-UHFFFAOYSA-N 446.528 5.399 30 20 IKED C[C@H](SCC(=O)NCc1ccc(C#N)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 506249619 NNQCVJKMRUORJO-LBPRGKRZSA-N 446.416 5.706 30 20 IKED CC(C)(NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1cccs1 506285720 RJQLQZBKUMJSHT-UHFFFAOYSA-N 439.924 5.055 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 507787486 FYNZIALCGMLKGP-UHFFFAOYSA-N 449.938 5.821 30 20 IKED Fc1ccc([C@@H](CC(F)(F)F)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 507822767 JBEOEMJQMUQCJJ-QGZVFWFLSA-N 431.355 5.814 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CC[C@H](COc3ccccc3)C2)cc1 508138702 ZNVHMXHTSQNHOQ-QFIPXVFZSA-N 428.557 5.392 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 510046820 YTDFSEOKSKBXQF-QVKFZJNVSA-N 434.883 5.786 30 20 IKED F[C@@H](c1ccc(C(F)(F)F)cc1)c1noc(CSc2ccc(C(F)(F)F)cn2)n1 511990002 SGHFMYAXGCGEET-AWEZNQCLSA-N 437.340 5.853 30 20 IKED Cc1sc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CC3)c(C#N)c1C 514903931 QTZIJRCOSGREEO-FOWTUZBSSA-N 425.513 6.117 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(COc2ccccc2)cc1 515282872 UHHYWTKZSIODEO-UHFFFAOYSA-N 435.483 5.885 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1Oc1ccccc1Cl 515286553 NQFDQWJELMVWTH-UHFFFAOYSA-N 436.895 5.810 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(NC(=O)NC4CC4)c3)cc2Cl)cc1 516005102 UUUFSBABQCOOJF-UHFFFAOYSA-N 446.894 5.540 30 20 IKED Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 517652878 GQEJSWQECBKMEB-UHFFFAOYSA-N 427.504 5.244 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccc(F)cc4)n3)n2)cc1 518516472 FQSALFFQCJEPBT-KRWDZBQOSA-N 435.505 5.571 30 20 IKED CC(C)c1[nH]nc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1Br 520737103 VXMMXEXQYIZCMC-UHFFFAOYSA-N 425.286 5.212 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H](c2ccccc2)C[C@H]1C 522427828 LMONYYFDDQYEDB-HYBUGGRVSA-N 425.532 5.856 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F 522540103 UFUPOIJJSGQRBO-STQMWFEESA-N 426.410 5.732 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)[C@@H](C#N)c3nc4cccc(C)c4[nH]3)cc12 522828696 WDSMYUXHLWVVAZ-QGZVFWFLSA-N 445.935 5.724 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(NC(=O)c4ccncc4)c3)c2)cc1 523123110 OTORQVMBBTWWIF-UHFFFAOYSA-N 433.471 5.201 30 20 IKED COC(=O)c1cc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c(F)cc1F 523880564 KNJXPKYTKHPMSS-UHFFFAOYSA-N 442.805 5.321 30 20 IKED CCN(Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1)C1CC1 523958910 HILIKSKZOBCHSH-JOCHJYFZSA-N 426.545 5.156 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CCOc1ccccc1Cl 524442558 QWXNIZFSBBGLCG-UHFFFAOYSA-N 449.938 5.642 30 20 IKED C[C@H](CC(=O)N[C@@H](C#N)c1ccc(Br)cc1)c1ccccc1C(F)(F)F 525069788 AKXPVPNAZOQBJV-PXAZEXFGSA-N 425.248 5.343 30 20 IKED N#Cc1cccc(-c2nnc(CN[C@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)o2)c1 539421586 OWHWGHMSCVAOMP-MRXNPFEDSA-N 426.320 5.020 30 20 IKED CCCc1c(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cnn1-c1cccc(F)c1 541505788 HIWRQRYXCGLJQK-FYYLOGMGSA-N 431.515 5.268 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCc2c(Br)ccc(F)c2C1 542678230 ADDZLHHOGZBOTI-ZDUSSCGKSA-N 448.361 5.573 30 20 IKED C[C@H](NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc2c(c1)CCC(=O)N2 543016542 FLNZHWYTJSPIHA-MSOLQXFVSA-N 438.531 5.231 30 20 IKED N#C[C@H](C(=O)c1cnn(CCC(F)(F)F)c1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 543211562 JJIAAQLBEZGOIY-BFKIHDCISA-N 448.514 5.250 30 20 IKED C[C@H](CN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nccs1 543278487 XSFXSUOGMFASPY-CQSZACIVSA-N 426.929 5.728 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 557581232 DWBNBTPVWMGRLR-YCRPNKLZSA-N 425.554 6.050 30 20 IKED C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 559012392 XGLLKQQFHCYPLT-KRWDZBQOSA-N 433.383 5.349 30 20 IKED N#Cc1ccc(Sc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)cc1[N+](=O)[O-] 562234137 RKYLHWRJWOSCFM-UHFFFAOYSA-N 437.868 5.171 30 20 IKED C[C@H](C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(Br)s1 589470535 AWUMCPZAYQFRGY-LBPRGKRZSA-N 428.311 5.312 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)c1csc(-c2cccc(C(F)(F)F)c2)n1 590253389 LVTPXEYMWPLDGM-UHFFFAOYSA-N 434.336 6.239 30 20 IKED CCOc1ccc(C(=O)CCC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1OCC 595471528 RXQNXDIUCIVLIW-QGZVFWFLSA-N 449.334 5.135 30 20 IKED Cc1ccc(-c2cc(-c3nnc(S[C@@H](C#N)Cc4ccccc4)o3)c3ccccc3n2)cc1 603597764 XPGDDDBDLQLJLK-OAQYLSRUSA-N 448.551 6.487 30 20 IKED CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1C 603836619 OLOHUCORJZJMLP-OAHLLOKOSA-N 427.913 5.075 30 20 IKED C[C@H](c1ccccc1)n1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1ccccc1 603917374 OIRHKKAVUYYMQB-GOSISDBHSA-N 439.544 5.157 30 20 IKED CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 604027249 QLYPLZSGCSAWFK-UHFFFAOYSA-N 439.880 5.886 30 20 IKED C[C@@H](Nc1cccc(OCc2cccnc2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 604045981 NEOMOSOIFSHSIC-QGZVFWFLSA-N 446.576 5.302 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCO[C@@H](c4ccc(F)c(F)c4)C3)c2)cc1 609208869 OLUMNLPTIXJAQB-HSZRJFAPSA-N 435.430 5.234 30 20 IKED N#CCn1c(C(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)cc2ccccc21 609454087 GNOPHGLXOSIAEI-DEOSSOPVSA-N 448.526 5.394 30 20 IKED COc1ccc(-c2nc3c(s2)[C@@H](NCc2cccc(OCCCC#N)c2)CCC3)cc1 609467239 LHPVNSNYFLEESN-QFIPXVFZSA-N 433.577 5.668 30 20 IKED N#Cc1ccc(C(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)cn1 609643725 GSFZPYLSNDGISU-UHFFFAOYSA-N 430.851 5.093 30 20 IKED C[S@](=O)Cc1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)ccc1Cl 609654882 PYBDLRMOCVRWKU-LJAQVGFWSA-N 440.977 5.494 30 20 IKED Cc1cccnc1[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C(C)C 609682869 XMBDEKKNHLEXJF-FYYLOGMGSA-N 432.955 6.218 30 20 IKED Cc1ccc(NC(=O)Cc2noc(-c3cccc(Oc4ccc(Cl)cc4C#N)c3)n2)cc1 609721124 YEDQOEXOOHMITC-UHFFFAOYSA-N 444.878 5.544 30 20 IKED CCN(CC)C(=O)c1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 609723497 YKZAEOIADDTFPC-UHFFFAOYSA-N 447.922 5.738 30 20 IKED Cc1noc(C)c1C[C@H](C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 610018515 PGKAPAVRQSFOBT-AWEZNQCLSA-N 438.915 5.148 30 20 IKED C[C@@H]1CCCCN1CCC1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 610791804 MSLRYOUXMZLJHE-HXUWFJFHSA-N 447.583 5.254 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccccc1CSc1nc2ccccc2o1 618789640 MDRNQVIFLADQBD-NRFANRHFSA-N 425.513 5.409 30 20 IKED CN(C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)[C@H]1CC[C@@H](C(F)(F)F)CC1 642025772 UWXVCCRGRZCTIJ-MRBYEJRBSA-N 442.366 5.658 30 20 IKED C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 670203602 DEWCMNGDNAHHST-XXBNENTESA-N 441.535 5.056 30 20 IKED C[C@H](CC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(=O)c1cccc(F)c1 673637886 JHFKKJQMJQWEDC-PBOSXPJTSA-N 427.360 5.060 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(C)n(-c3cc(C)on3)c2C)cc1 725721989 AIALUMZQFFUVKR-UHFFFAOYSA-N 442.475 5.315 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 726275083 VRZLQFYFGMNNDE-JKSUJKDBSA-N 442.025 5.135 30 20 IKED COc1ccc(N2C(=O)/C(=C\c3cccc(OCCCC#N)c3)SC2=S)cc1Cl 726984881 BNCYJMGMYUAZCC-XDHOZWIPSA-N 444.965 5.437 30 20 IKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)/C=C\c2ccccc2Cl)cc1 727356148 DJEWFIIPALHSBM-PEZBUJJGSA-N 438.936 5.398 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H]2c2ccccc2C(F)(F)F)c1C 728115290 KGJWBYICJNHUAQ-JOCHJYFZSA-N 429.486 5.406 30 20 IKED CC(=NNc1ccc(S(C)(=O)=O)cc1)c1c(F)cccc1O[C@H](C)c1ccccc1 730145333 UPYIEGIVJANYMN-QGZVFWFLSA-N 426.513 5.205 30 20 IKED CCc1cccc(C)c1NC(=S)NN=Cc1csc(N(C(C)=O)c2ccccc2)n1 730574859 BKZHBSRALVUQPH-UHFFFAOYSA-N 437.594 5.019 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 731276247 LUXLUAGKMNCRHB-ZPMCFJSWSA-N 444.556 5.519 30 20 IKED Cc1c(C(=O)/C=C\c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cnn1-c1cccc(Cl)c1 731565421 OOKHFRHZPCWEQF-FLIBITNWSA-N 447.882 5.039 30 20 IKED CCCOc1nc2ccccc2cc1/C=C\C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1 731768795 QZMCKWDPFFNMKC-HXKWKUIBSA-N 433.895 5.038 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)[C@@H](C)CSc2ccccc2)n(C2CCCC2)c1C 732393700 JPLREQWWAQDSMW-INIZCTEOSA-N 439.581 5.002 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(-c3ccc(Cl)cc3)s2)ccc1OC 733229895 IYVNLFGJOXRSNB-SFHVURJKSA-N 440.952 5.688 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@@H]1c1cc(C(F)(F)F)ccc1F 733249876 VWYYBTWBEVIFMQ-QGZVFWFLSA-N 428.838 5.017 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@H]2c2cccc3ccccc23)ccc1OC 733654122 OCSPEWGDGKUTST-ZJSXRUAMSA-N 443.547 5.576 30 20 IKED O=C(/C=C/c1ccc(OCc2cccc(F)c2)cc1)c1ccc(N2CCC(O)CC2)cc1 734235399 MZKBVSWTQYXCGY-AWNIVKPZSA-N 431.507 5.262 30 20 IKED COc1ccc(CNCc2cccc(-c3ccc(C#N)s3)c2)cc1OCc1cccnc1 740010385 BZRBKAAYQWHWGO-UHFFFAOYSA-N 441.556 5.559 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H](O)c2c(F)cccc2Cl)cc1 741291021 NQHQQLDASHMSKF-HXUWFJFHSA-N 440.927 5.106 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 742369015 YJMHDQOWDPJAGH-UHFFFAOYSA-N 449.551 5.635 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2cc(Cl)ccc2OC[C@@H]2CCCO2)S1 743059295 WGNMCEOFIHWEJL-TYJAPOHBSA-N 442.968 5.406 30 20 IKED CCOc1c(Cl)cc(C=NO[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1OC 744445204 LYPIHVFNGOZEEK-CYBMUJFWSA-N 433.867 5.357 30 20 IKED N#C[C@@H](COC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)Cc1ccc(F)cc1 744964216 XINNPYWQSRSGLH-ZDUSSCGKSA-N 435.307 5.795 30 20 IKED COc1ccc(/C=C2/SC(=S)N(c3ccccc3Cl)C2=O)cc1OCCCC#N 747473071 NQAFFGBZAGSPMU-CPNJWEJPSA-N 444.965 5.437 30 20 IKED COc1cc(NC(C)=O)ccc1C(C)=NNc1ncnc2sc(-c3ccccc3)cc12 747746640 KNLOTQZOJSCKKZ-UHFFFAOYSA-N 431.521 5.161 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 752701634 KUKGHLYHSLMEIZ-CDNPAEQRSA-N 448.567 5.576 30 20 IKED Cc1c(C(=O)O[C@H](C#N)Cc2ccc(F)cc2F)sc2nc(C(F)(F)F)ccc12 753950928 JQLHDNOIMYGKFB-LBPRGKRZSA-N 426.366 5.193 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1cc(Cl)sc1Cl)c1nc2ccccc2n1C(F)F 756245637 WYNVCHXWRHSLHU-JTQLQIEISA-N 442.274 5.639 30 20 IKED C/C(=C\c1cccc(Cl)c1)C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 758889861 YEEYWOFVPATDBD-STTHAQSSSA-N 428.941 5.319 30 20 IKED CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cnn(CCC#N)c1-c1ccccc1 759084917 YTERCGZUSSIQIB-RTBURBONSA-N 444.535 5.161 30 20 IKED C=CCn1c(-c2cccc(C)c2)nn(CN2CCC3(CC2)OCc2ccccc23)c1=S 759751803 YBYKJJSBVYHGEV-UHFFFAOYSA-N 432.593 5.055 30 20 IKED CC(=NNc1ccnc2cc(Cl)ccc12)c1ccc(CNC(=O)OC(C)(C)C)nc1C 760244679 VKVGECDABXYEHS-UHFFFAOYSA-N 439.947 5.452 30 20 IKED CCN(C(=O)Cc1cccc(OCC#N)c1)[C@@H](c1cccnc1)c1csc2ccccc12 760450087 FZVGKOXMTGDVPC-SANMLTNESA-N 441.556 5.379 30 20 IKED O=C(/C=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cc(Br)ccc1F 763120954 BRQGKOFZTBIZBI-FNORWQNLSA-N 433.258 5.516 30 20 IKED CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 763548529 MFZVUUKFHAYIQR-XZOQPEGZSA-N 445.563 5.318 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(Br)c2O)cc1 765236125 ZZJJJYQIXVIJCE-IBGZPJMESA-N 436.309 5.132 30 20 IKED N#C[C@H](NC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1cccc(Br)c1 768185516 QBNKGQDVFMVPGX-QFIPXVFZSA-N 443.304 5.054 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3ccc(SC(=O)N(C)C)cc3)o2)cc1 768460412 BJHMDCHQIXNRLC-UHFFFAOYSA-N 427.551 5.367 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)o2)cc1 768460529 DXZKFXVTPTZWEM-SFHVURJKSA-N 448.548 5.037 30 20 IKED C[C@@H](C#N)Oc1ccc(CNc2ccc(N3C[C@H](C)O[C@H](C)C3)c(C(F)(F)F)c2)cc1 770566316 VMXGPCSYCYIEMP-YESZJQIVSA-N 433.474 5.222 30 20 IKED CCCCCCCCc1nnc(NC(=O)N[C@H]2CCOC3(CCSCC3)C2)s1 771442406 JAXAVLUQNPRPRU-INIZCTEOSA-N 426.652 5.007 30 20 IKED CC(C)OC(=O)NCc1ccc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)cc1 774048624 OGECQYYWDNBKAA-UHFFFAOYSA-N 442.519 5.182 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)ccc1OC 777243815 VDIYETNQUUWDDY-QPXUXIHVSA-N 447.579 5.244 30 20 IKED CC(C)N(CCC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)C(=O)OC(C)(C)C 777301420 UEEMOWSOKMCPNM-CQSZACIVSA-N 449.523 5.300 30 20 IKED CC[C@@H](C#N)Oc1cc(CNc2nnc(Cc3ccc(Cl)cc3)s2)ccc1OC 777755657 FLHVZHCHQITQDP-KRWDZBQOSA-N 428.945 5.084 30 20 IKED CC(C)(C)n1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(Br)n1 779837966 UAFHMECTINXOGD-GOSISDBHSA-N 437.341 5.308 30 20 IKED CC[C@@H](C#N)SC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccc(Cl)c(OC)c1 780329168 HWVDJKHNUWXFQL-BEWREHSGSA-N 441.940 5.136 30 20 IKED C=CC[C@@H](NC(=O)c1cc(I)c(Cl)cc1Cl)c1ccncc1 783561234 OIMMOGKFCMCAAD-OAHLLOKOSA-N 447.103 5.040 30 20 IKED N#C[C@@H]1CC[C@@H](Sc2nnc(CSc3nc4ccccc4s3)n2-c2ccccc2)C1 788097375 UXTKUNYEKLVKGP-NVXWUHKLSA-N 449.630 5.954 30 20 IKED COc1cccc([C@@H](C)CCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 789410540 XYFJQONTQKOLBQ-HTAPYJJXSA-N 429.545 5.841 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cccc(Br)c3C)n2)cc1 791783633 MFYVIMLFGVXRGT-QGZVFWFLSA-N 441.350 5.309 30 20 IKED N#C[C@H](C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 802036422 WRLPQUXBAOCFFE-CJNGLKHVSA-N 449.429 5.182 30 20 IKED CC(=NNc1ncnc2sc(-c3ccccc3)cc12)c1nc2ccccc2n1C(F)F 812393530 OSDBMUADOOKCFI-UHFFFAOYSA-N 434.475 5.939 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)c1cc(C(F)(F)F)ccn1 813215635 IUKZXDSQUFZYCZ-FSSWDIPSSA-N 436.433 5.659 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(CNC(=O)OC(C)(C)C)cc3)n2)cc1 915100447 QVDFUTQLJBYMHD-FQEVSTJZSA-N 447.560 5.633 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(F)cc2C(F)(F)F)cc1 915349985 DXEWPTSPIMAYFU-HXUWFJFHSA-N 427.401 5.822 30 20 IKED Cc1nc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)sc1SCC#N 916090191 XYZKAHZYYHPUSB-UHFFFAOYSA-N 428.153 5.328 30 20 IKED CCOC(=O)Nc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 916449817 ODDCFLKDHJJWDI-UHFFFAOYSA-N 429.476 5.152 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 916903490 OSCWJJDYHBVVCB-HXUWFJFHSA-N 445.567 5.222 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3c(C)nn(-c4ccccc4)c3C)n2)cc1 916972588 OPDSXFDGDMVHJR-JOCHJYFZSA-N 426.545 5.340 30 20 IKED COc1cccc(CO[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 916976415 NWZLRJJKDVQDCK-AUUYWEPGSA-N 426.925 5.254 30 20 IKED N#C[C@@H](C(=O)CSc1ccc2c(c1)CCC2)c1nc2cc(C(F)(F)F)ccc2s1 917043363 LIMMDXNFCKQYTB-INIZCTEOSA-N 432.492 5.772 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c(C)nn(-c2ccccc2)c1Cl 920019069 YZJVXORECICMAC-UHFFFAOYSA-N 442.906 6.059 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)C4(c5ccc(F)c(F)c5)CC4)CCC3)cc2)C1 1785808184 XSCADHCHJHNRQN-UHFFFAOYSA-N 436.502 5.097 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CC3CCC(C)(C)CC3)cc2)CCC1 1790570373 CPDLPIKSXXUZAF-IBGZPJMESA-N 441.616 5.528 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](C)c2ccc(Cl)cc2)c1 1792823181 XCLRHJXFQUZDOP-LBDDYCNWSA-N 449.982 5.023 30 20 IKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)[C@H]1c1cccnc1 1803091216 YTSOEEQCCQMWTO-OQYVESBJSA-N 437.628 5.072 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C(C)(C)C)oc2C)[nH]n1 1821921748 VIYGNFUHBNWIOS-HNAYVOBHSA-N 426.561 5.127 30 20 IKED CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)CCCCC1 1823686156 PBYUQHWGSZDTBP-VWLOTQADSA-N 449.639 5.081 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3nc(C)ccc3o2)CC1 1827278322 FLAQQCRNLOEEKK-GMAHTHKFSA-N 449.595 5.138 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3cnccc23)CC1 1828829203 ZDMVYVYSCQNHSH-OZXSUGGESA-N 445.607 5.237 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2C2CC2)CC1 1828829685 LDFQCTUXWATCFS-BVAGGSTKSA-N 434.624 5.566 30 20 IKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2occc2C)CC1)c1ccccc1 1829032881 OPIZUMUDOGFJKZ-LOSJGSFVSA-N 446.591 5.019 30 20 IKED Cc1cc(C(=O)/C(=C(\S)Nc2ccc(C)c(F)c2)[n+]2ccc(N(C)C)cc2)c(C)s1 11083285 SWOZYMJIWNKFDE-UHFFFAOYSA-O 442.605 5.217 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)NCCc2ccccc2)c1 22734821 RTBRXLLOJDSTGV-UHFFFAOYSA-O 444.407 5.360 30 20 IKED CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Sc3nc(C)nc(C)c3C#N)ccc21 25960556 MSIVDAZISCADIR-HNNXBMFYSA-N 429.549 5.212 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)nnc1-c1ccco1 28504000 AGSBCVBBWKCKBV-SJORKVTESA-N 432.549 5.235 30 20 IKED O/C(=N\c1nnc(C(F)(F)F)s1)c1sc(-c2ccccc2)nc1-c1ccccc1 29291666 NKARKGPDWIZRHK-UHFFFAOYSA-N 432.452 5.984 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N(Cc1ccco1)C1=CCCCC1 30969493 SDNXDHJZVSCGGJ-UHFFFAOYSA-N 448.592 5.227 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)nnc1C1CC1 35767150 HQQBICNRGVABKC-VXGBXAGGSA-N 425.385 5.006 30 20 IKED C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)c2)C1 63398576 UUVVQCRLCJBIJB-RLWLMLJZSA-N 446.595 5.003 30 20 IKED CCN(CC)[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccco1 65417061 POKYQUCMGYNDGP-HSZRJFAPSA-N 432.524 5.457 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1 111020618 ZKCIWXOGEZIFCG-UHFFFAOYSA-N 443.507 5.231 30 20 IKED C[C@H](C#N)Oc1ccc(CN[C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)cc1 237606522 CAYOUVUREHWPBT-RTBURBONSA-N 431.511 5.149 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 303341118 LOJAAJNEUIOUMY-WMZHIEFXSA-N 443.572 5.581 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCSC[C@H]1c1ccc(Cl)cc1 303684314 STZTUCYBKDOZKF-UZLBHIALSA-N 446.041 5.320 30 20 IKED CCN(C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[C@H](C)Cc1ccsc1 429380230 UONMDYHNUFKTNO-QGZVFWFLSA-N 432.549 5.357 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)s1 430613752 WPJCJYYHNPKIRT-CYBMUJFWSA-N 425.945 5.042 30 20 IKED N#CCCC[C@@H](NS(=O)(=O)c1ccc(OCC(F)F)c2ccccc12)c1ccccc1 431624679 WUVGTHJAVZVNAZ-HXUWFJFHSA-N 444.503 5.197 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1ccccc1 431701514 FOENCZKRSVZPHG-LJQANCHMSA-N 445.548 5.251 30 20 IKED Cc1cc(SC2CCCCC2)ccc1NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 432831199 IRIRVKCMQCNVKK-LJQANCHMSA-N 436.581 5.372 30 20 IKED C=CCN(C(=O)Nc1cc(-c2ccc(C)o2)ccc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 432980857 YPVVRUOJMSUJDF-IBGZPJMESA-N 442.523 5.320 30 20 IKED CN(C(=O)c1cccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1)c1ccccc1 437814695 IRYHJLKOFYVXLE-LOSJGSFVSA-N 438.531 5.267 30 20 IKED CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 438050416 NBKYCPFTTXWPLP-QHCPKHFHSA-N 440.547 5.336 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2F)cc1 438172582 AFJGPNPHGBPFTD-GAJHUEQPSA-N 445.494 6.113 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2c(F)cccc2Br)cc1 438429917 XEDAIUDLIQEARW-UHFFFAOYSA-N 425.257 5.291 30 20 IKED N#Cc1ccc(NC(=O)NCc2cccnc2Oc2cccc(F)c2)cc1C(F)(F)F 438634723 JKQJDFUHVAIFCO-UHFFFAOYSA-N 430.361 5.225 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)Nc3ccc(Cl)cc3Cl)cc2)c1 439521958 NGAJBWZFIVMRHR-UHFFFAOYSA-N 440.286 5.021 30 20 IKED C=CC[C@H]1N(C(=O)CCc2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)CCCC1(C)C 444648578 YNJTYHIXXNYICI-MAUKXSAKSA-N 427.614 5.048 30 20 IKED C[C@H](NC(=O)CN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 444742053 IDNWEQHTJZMMSB-SJCJKPOMSA-N 436.371 5.305 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1 444824349 GGWRMULFXJISBL-VGSWGCGISA-N 447.457 5.264 30 20 IKED CC(C)Oc1ccc(NC(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1C#N 444923552 LDFXIAUDDJVVQJ-UHFFFAOYSA-N 447.457 5.192 30 20 IKED Cc1c(Cl)cccc1NC(=O)Cc1noc(-c2cccc(Oc3ccc(C#N)cc3)c2)n1 445344903 PWTPCKIJDWGDCI-UHFFFAOYSA-N 444.878 5.544 30 20 IKED Cc1cc(Br)c(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1Cl 445962659 ZUDUNTPJOOCNPO-UHFFFAOYSA-N 448.748 5.077 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(OCC)cc3)n2)nnc1-c1ccccc1OC 448054736 RIHJMZANFMUCQM-UHFFFAOYSA-N 448.548 5.486 30 20 IKED C[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)Oc1cccc(Cl)c1 461364641 QWDWXUAGTKGOOT-QGZVFWFLSA-N 436.964 5.701 30 20 IKED C=CC[C@H]1N(c2nnc(COCc3ccccc3)n2C[C@H]2CCCCO2)CCCC1(C)C 461827811 FUSDRMYDRIUWBW-DHIUTWEWSA-N 438.616 5.135 30 20 IKED N#Cc1cccnc1-n1cc(NC(=O)N[C@@H](c2ccccc2)c2ccc3ccccc3c2)cn1 462095655 WOWZNSUOSFTQIB-VWLOTQADSA-N 444.498 5.203 30 20 IKED C=CCNC(=O)Nc1ccc(N[C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 466297328 HKARWKKSQYZJLU-LBPRGKRZSA-N 432.311 5.524 30 20 IKED N#C[C@@H]1N(C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)CCC[C@@]12CCCCO2 468135899 IFPFKUPAXLBFSW-IGKIAQTJSA-N 445.538 5.360 30 20 IKED N#CC[C@@H](CC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)c1ccccc1 475312685 CTCVPJOODPMJFD-SFHVURJKSA-N 440.330 5.229 30 20 IKED COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 475452380 UJJMWVCYRYESIG-IBGZPJMESA-N 427.342 5.236 30 20 IKED CCOc1cc(Br)ccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 478717052 CLJQTQHPKBZDEJ-UHFFFAOYSA-N 438.281 5.159 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3C)c2C(C)C)cc1 479658342 HLHQKQGZBRRRIR-UHFFFAOYSA-N 442.563 5.371 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 480034939 BJVQIWQSHGSMTD-UHFFFAOYSA-N 442.306 5.462 30 20 IKED CCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)[C@@H](c1cccnc1)c1csc2ccccc12 480935858 CRNFQKIKZRFHFE-BVZFJXPGSA-N 441.556 5.573 30 20 IKED C=CCn1c(SCc2csc(Cc3ccc(Cl)cc3)n2)nnc1-c1ccccn1 481386556 JPZJQGDCEMLZDJ-UHFFFAOYSA-N 439.997 5.519 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)c2cccc3ccccc23)nnc1-c1cccs1 481388796 GJAZRAQOWHDRGE-MRXNPFEDSA-N 434.590 5.315 30 20 IKED C[C@@H](Oc1ccc(F)cc1Br)C(=O)N(Cc1ccco1)c1ccccc1C#N 482150179 DLQCPDFMMGHMID-CQSZACIVSA-N 443.272 5.054 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(c3ccsc3)CC2)cc1 486544330 KCUNBXCIGNMWKB-UHFFFAOYSA-N 431.561 5.805 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)c1nnc(-c2ccccc2)o1 489691504 ZMJDCUOYVYMDHQ-QGZVFWFLSA-N 433.537 5.255 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)n1 497414576 DPJQZVXYEULFHX-ZDUSSCGKSA-N 434.395 5.089 30 20 IKED CC1(C#N)CCN(C(=O)NCCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 503194312 AAEAMGJLPFDEQY-UHFFFAOYSA-N 447.970 5.070 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2[C@@H](C)CCC[C@@H]2C)c1 504401788 RCRWOSHNZUGKEM-ROUUACIJSA-N 447.000 5.124 30 20 IKED CC(C)n1nc(-c2ccccc2)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 505322937 NEUFTTKZZRXLKV-UHFFFAOYSA-N 426.476 5.427 30 20 IKED C[C@H]1CCCCN1C[C@@H]1CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 505946365 HWIIUSUNEWNBNI-URXFXBBRSA-N 447.648 5.577 30 20 IKED COc1ccc([C@@H](NC(=O)N[C@H](CCC#N)c2ccccc2)c2ccccc2OC)cc1 506352391 VEQFHMMGKSNZNX-ILBGXUMGSA-N 429.520 5.137 30 20 IKED COCCN(Cc1ccc(C#N)cc1)Cc1cccc(NC(=O)c2ccccc2Cl)c1 508541135 KGEJPURLGXOTOG-UHFFFAOYSA-N 433.939 5.113 30 20 IKED C=CCn1c(-c2ccccc2C)nnc1N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 508871716 GENMCXMIILAMIR-QFIPXVFZSA-N 447.970 5.045 30 20 IKED C[C@@H](NC(=O)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1)c1ccc(C#N)cc1 509709624 CRNODABHEPTFMD-UYAOXDASSA-N 435.572 5.104 30 20 IKED O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)[C@H]1CC[C@@H](C(F)(F)F)C1 512535705 CNGXIWCSNDSEIN-WDEREUQCSA-N 436.327 5.949 30 20 IKED CC1(C)CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)[C@H]1[C@H]1CCCO1 514759510 ZQVJOQUGJLYYBR-YADHBBJMSA-N 439.943 5.212 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(C)nc3-c3ccccc3)n2)cc1 516714278 ZEJXZSLLAPCEJC-GOSISDBHSA-N 431.542 5.741 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)[C@@H](C)c1cc(F)ccc1F 517835708 AXIOGMGHMZIDPW-INIZCTEOSA-N 449.457 5.095 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)[C@@H](Sc3ccccc3)c3ccccc3)CC2)c1 517858557 DOHWLPHSPOBUDA-VWLOTQADSA-N 428.557 5.462 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3nc4ccccc4s3)cc2)cc1 519053742 RDVRZHFAWOPCAD-QFIPXVFZSA-N 440.528 6.329 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N(CCC#N)CC(C)(C)C)cc12 520522823 ZVZWGCOUMHLBMJ-UHFFFAOYSA-N 428.989 5.510 30 20 IKED Cc1cc(Br)ccc1N(C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 522310971 DWYKKSQHUARWBQ-UHFFFAOYSA-N 435.321 5.485 30 20 IKED CC(C)n1c(S[C@@H](C(N)=O)c2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1Cl 522333386 UFGIFONYORVSMW-QGZVFWFLSA-N 446.363 5.023 30 20 IKED Cc1ccc(OC2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)cc1 522653774 UFKZNFJRKIJGGP-UHFFFAOYSA-N 441.531 6.043 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(c4c[nH]c5ncccc45)CC3)cc2)c1 522843037 ZQANVIUYZPMVSJ-UHFFFAOYSA-N 437.503 5.638 30 20 IKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 523124752 GBCWQIFKFBYPES-UHFFFAOYSA-N 436.515 5.662 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccccc3OCC(F)(F)F)c2)cc1 524492774 JMHVYXFRPGVSPY-UHFFFAOYSA-N 426.394 5.331 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2F)c1 524496035 FIVZJYLTUQYQMR-UHFFFAOYSA-N 425.803 5.090 30 20 IKED CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 524830370 RSSDUSUIJOIIHO-QFIPXVFZSA-N 430.508 5.759 30 20 IKED N#CCC[C@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 533038610 BBJBQFULWVLOCT-VWLOTQADSA-N 437.503 5.582 30 20 IKED CC(C)[C@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1nnc2ccccn12 535583400 RSYHQXAVUBHIAO-QFIPXVFZSA-N 445.910 5.174 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 536281400 PMSOUOCAYUFEMW-DNVCBOLYSA-N 447.507 5.145 30 20 IKED CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 536646898 YVQWTGXUSLDWNH-BXKMTCNYSA-N 434.536 5.496 30 20 IKED C[C@@H](c1ccccc1)n1c(SCCCC2(C#N)CCOCC2)nnc1-c1ccccc1 537510215 FDRABVCRCYFFGE-FQEVSTJZSA-N 432.593 5.747 30 20 IKED N#Cc1ccc(CN[C@H](c2ccc(F)cc2)c2ccccc2I)s1 538400865 MCSJEMJBTOJGPT-LJQANCHMSA-N 448.304 5.243 30 20 IKED C[C@H](NC(=O)CCCc1nc(O)c2ccccc2n1)c1ccc(-c2cccc(C#N)c2)cc1 541071928 IBWKPURGJIMNJI-SFHVURJKSA-N 436.515 5.074 30 20 IKED C[C@@H](NC(=O)c1ccccc1CSc1nc[nH]n1)c1ccc(-c2cccc(C#N)c2)cc1 542062727 SULKPUHBORCGGP-QGZVFWFLSA-N 439.544 5.127 30 20 IKED C[C@@H]1C[C@H](C(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CCC1=O 542161416 ZZSMNJUSPOEBCE-NUPCCRGMSA-N 449.313 5.449 30 20 IKED N#CCC1CCN(C(=O)N[C@H](c2cccc(F)c2)c2cccc(Br)c2)CC1 542896146 QWOHHXPANHZSJL-FQEVSTJZSA-N 430.321 5.013 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)C2CC2)cc1 544221732 UGOYUQYGMBZDPE-UHFFFAOYSA-N 441.487 5.062 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2oc3ccccc3c2CSc2ccccc2Cl)n1 549364314 CAECVMQWOFGPED-HNNXBMFYSA-N 438.961 6.634 30 20 IKED CSc1nc(O)c(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCCCC2)cc1C#N 549519213 XAUMQDHVCMHZIU-SFHVURJKSA-N 449.498 5.451 30 20 IKED C=C1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@@H]2CCCCO2)CC1 549663818 TZLZSHPCXJSQGL-FQEVSTJZSA-N 435.597 5.103 30 20 IKED CC[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H](c1ccc(C)cc1)n1cncn1 555666967 DMVGBTQDVSBALC-RFWXGWTQSA-N 448.596 5.028 30 20 IKED Cc1c(C(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)sc2ccc(C#N)cc12 556028288 BMDPKHYBVUBFBW-UHFFFAOYSA-N 425.941 5.468 30 20 IKED CN1[C@H]2CC[C@H]1CC([C@@H](NC1CCN(c3ccc(C#N)cc3)CC1)c1ccc(Cl)cc1)C2 560535373 ISLGIDXIRHAFCV-QKDODKLFSA-N 449.042 5.384 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1ccc(O)c(COC(C)C)c1 566037522 DTHIIFSWYUKYBT-UHFFFAOYSA-N 445.519 5.720 30 20 IKED C=CCC(C)(C)c1noc([C@H]2CCCN(C(=O)c3ccc(Br)cc3C)C2)n1 568775721 BBJQQNLRNJOUDA-HNNXBMFYSA-N 432.362 5.014 30 20 IKED Cc1cccc(-c2nc(CC(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cs2)c1 603623288 GPZCMQFWDPPSEO-UHFFFAOYSA-N 426.501 5.359 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnnn1-c1ccccc1Cl 604529499 QMKAWEBCNMBGHQ-UHFFFAOYSA-N 429.867 5.145 30 20 IKED N#Cc1cccc(C(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)c1 608850839 LMDWYSPVPGSMFH-UHFFFAOYSA-N 429.863 5.698 30 20 IKED CCOc1ccccc1CCNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 609046731 KYFIQENSHXBSTC-UHFFFAOYSA-N 429.520 5.095 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCCN1C[C@@H](C)C[C@@H](C)C1 609079308 VLSSWLOXEKCDBO-OYRHEFFESA-N 448.611 5.325 30 20 IKED Cc1nc2ccccc2c(C)c1CC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 609173500 RZHCBPSQINSVTG-HHHXNRCGSA-N 435.527 5.354 30 20 IKED Cc1ccccc1NC(=O)[C@@H]1CCc2ccccc2N1C(=O)c1cc2ccccc2n1CC#N 609216020 DFAOHBPZFCLTMQ-VWLOTQADSA-N 448.526 5.074 30 20 IKED COc1ccc(-c2csc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)n2)cc1 609496449 XTLQZYJTKTVBDK-UHFFFAOYSA-N 428.473 5.130 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 609773287 VEAMVCFSYGPHRF-UHFFFAOYSA-N 447.451 5.339 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(Oc4nccs4)c3)cc2)c1 609907466 YMBHTQHOPMWRFU-UHFFFAOYSA-N 427.485 5.638 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1C 610053490 IBRPNIWZOLEFCD-UHFFFAOYSA-N 443.334 5.465 30 20 IKED N#Cc1ccc(CNC(=O)CNc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)cc1 610078584 UAOYIJHLGDNHPW-UHFFFAOYSA-N 425.410 5.098 30 20 IKED COc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)sc(C)c1Br 610290453 GCVTYRHIRUBTLI-UHFFFAOYSA-N 444.310 5.139 30 20 IKED C[C@H](NC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1)c1cccc(C#N)c1 610720728 HSMCQGVLVUEGLQ-KRWDZBQOSA-N 438.453 5.445 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 612220445 RKLRURYMOUBSCW-GOSISDBHSA-N 435.380 5.276 30 20 IKED Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)[C@H](C#N)c3ccccn3)c12 612892354 VECNFVVKWFOUIZ-LJQANCHMSA-N 435.512 5.343 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@H](c1cccs1)C(C)(C)C 614072997 VJMVQMDRGVMSAM-OAQYLSRUSA-N 440.638 5.112 30 20 IKED CCN(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@@H](c1ccc(Cl)cc1)c1ccccn1 619114387 TYWAGWHEDTVKDJ-DEOSSOPVSA-N 442.906 5.513 30 20 IKED N#C[C@@H](C(=O)c1ccc(C(F)(F)F)cc1N1CCCC1)c1nc2cc(F)ccc2s1 671764236 WEUNWSBEEXEKHZ-HNNXBMFYSA-N 433.430 5.544 30 20 IKED O=C(Nc1cccc(CCC(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 674697690 UKZLSNBQFWXOAV-RYUDHWBXSA-N 436.318 5.776 30 20 IKED O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 679572937 CAGVISWWBFNHKE-HTQZYQBOSA-N 440.718 5.536 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(CC)cc2)[n+]2ccc(CCC)cc2)c1 726573657 OTEASWBHLMZMOT-UHFFFAOYSA-O 427.593 5.794 30 20 IKED N#CCOc1ccc(CSc2nc3ccccc3c(=O)n2CCCc2ccccc2)cc1 729240936 XWCMDUDFBSXHCQ-UHFFFAOYSA-N 441.556 5.224 30 20 IKED CCCOc1c(Cl)cc(C=Nn2c(S)nnc2-c2ccc(F)cc2)cc1OCC 730548962 OBWIIFNUQPRQFJ-UHFFFAOYSA-N 434.924 5.096 30 20 IKED CCc1nc([C@H]2NC(=O)N(Cc3ccccc3)C(c3ccc(F)cc3)=C2C(C)=O)cs1 731421202 QKYWEUAKDSLFSO-JOCHJYFZSA-N 435.524 5.111 30 20 IKED N#C[C@H](NC(=O)Cn1c(SC(F)F)nc2ccccc21)c1ccc(Cl)c(Cl)c1 731646140 YKGJLCKJMUHNLU-AWEZNQCLSA-N 441.290 5.039 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2Oc2ccccc2)ccc1OC 733615073 QYBYYOSMCSQNNT-IBGZPJMESA-N 431.492 5.490 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](C)c2ccc(SC(C)C)cc2)ccc1OC 733646844 BYRWMIDYTOLSDP-YLJYHZDGSA-N 441.597 5.437 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N[C@@H](Cc2ccc(C)cc2)c2ccccn2)cc1OC 734400446 QSEIABBVNRTQPO-ANVLDHPDSA-N 428.532 5.077 30 20 IKED COc1ccc(CNc2nnc(SCc3cc(Cl)ccc3OCC#N)s2)cc1 735231080 VDAAUDUEKUIAKN-UHFFFAOYSA-N 432.958 5.007 30 20 IKED C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)c1 735267925 OISQXFJRXHBLFC-UHFFFAOYSA-N 434.542 5.088 30 20 IKED CCO[C@H](C)c1nc(COC(=O)c2ccccc2SCc2ccc(C#N)cc2)cs1 736730758 RYNFLSOJQAXUSF-MRXNPFEDSA-N 438.574 5.762 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)OC(=O)CCc3c(C)nn(CCC#N)c3C)s2)cc1 739301659 NEKJLZNJSZYRPL-LJQANCHMSA-N 436.581 5.391 30 20 IKED O=C(/C=C/c1cc(Br)ccc1OC(F)F)c1c(Cl)nc2sccn12 741844947 TUUSDTDDAFQLSA-HNQUOIGGSA-N 433.661 5.309 30 20 IKED CSc1cccc([C@H](NCc2ccc(N(C)CCC#N)cc2)c2ccc(F)c(F)c2)c1 742384438 BWDUGEHJZJGCHZ-VWLOTQADSA-N 437.559 5.916 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F 744027710 BODOZDSRICBTHW-IHPCNDPISA-N 432.426 5.208 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)[C@@H](C)c1ccccc1C(F)(F)F 745308672 OUVUGLAHWNSZHI-GJZGRUSLSA-N 425.472 5.017 30 20 IKED Cc1ccc2[nH]cc(CCC(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2c1 747106305 PRPZZQMGOYEWOL-INIZCTEOSA-N 427.451 5.914 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(Cl)c(C(F)(F)F)c1 747204752 LLDHUGIHTQRRGR-LBPRGKRZSA-N 448.800 5.635 30 20 IKED CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(C#N)s2)NC(=S)N1c1ccccc1 749015571 VBFKNJSOABACOA-OAQYLSRUSA-N 448.548 5.107 30 20 IKED C#Cc1cccc(N(C)C(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)c1 749376406 VJPINJWMDFUDBY-UHFFFAOYSA-N 442.316 5.317 30 20 IKED N#Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2Br)sc2c1CCCCCC2 751100483 QAPQXFMXSGJQRS-UHFFFAOYSA-N 434.315 5.202 30 20 IKED COc1ccc(Nc2nn(CN3CCC[C@H]3[C@H](C#N)c3ccccc3)c(=S)s2)cc1 751935802 XFDWNMMXNMIINP-UXHICEINSA-N 437.594 5.156 30 20 IKED C[C@H](C[C@H](O)c1cccs1)NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 752256204 HCFOEGWKEJHSJA-KDOFPFPSSA-N 425.485 5.185 30 20 IKED N#CCCCn1cc(C(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccccc2)c2ccccc21 768060833 SSMWEWPGRJPEQR-BKMJKUGQSA-N 429.564 5.454 30 20 IKED CCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 771757740 PZJHBRKTLQVZEE-KAYWLYCHSA-N 438.575 5.470 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 772646099 QSSCTRQTBMYSMX-MRXNPFEDSA-N 430.407 5.275 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H](C)c2sc(Cc3ccccc3)nc2C)ccc1OC 772986631 PSSIKTYDYZBHOT-DYESRHJHSA-N 435.593 5.583 30 20 IKED C[C@@H](OC(=O)Cc1ccccc1CC#N)C(=O)N1c2ccccc2Sc2ccccc21 777163308 DHUYJFVFPOLPGO-QGZVFWFLSA-N 428.513 5.056 30 20 IKED N#Cc1ccc(N2CCC[C@H]2C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 777304181 MSQFCXFXWDCMNF-AEFFLSMTSA-N 440.450 5.032 30 20 IKED COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)Nc1ccccc1O[C@H](C)C#N 780668793 ZBPIQBPNVSVOFB-NHCUHLMSSA-N 443.547 5.651 30 20 IKED C#CCn1ccc(CN(CC)C(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)n1 788822637 CJDWYBZEACOOTG-XMMPIXPASA-N 437.996 5.041 30 20 IKED O=C(/C=C/c1nccn1CC(F)(F)F)c1ccc(Br)cc1C(F)(F)F 790232438 CCVZSGFJHNUDSX-ONEGZZNKSA-N 427.142 5.123 30 20 IKED Cc1c(-c2ccccc2)oc2c(C(=O)[C@H](C#N)c3nccc4ccccc34)cccc2c1=O 792104013 WBGQPOTUVUGADS-HSZRJFAPSA-N 430.463 5.807 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)sc2ccc(C#N)cc12 796713786 LHPWJIKHCDGPHA-OAHLLOKOSA-N 444.541 5.161 30 20 IKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(CC)C1=O 799222189 XMAGRZCGDUXSNE-IBGZPJMESA-N 445.972 5.109 30 20 IKED O=C([C@@H](F)c1ccc(C(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 801666152 NVXBBGKUFNQUGW-TUAOUCFPSA-N 425.266 5.305 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(CCCCF)C2=O)c1 812221164 GPJSPZWPGSJXPM-HXUWFJFHSA-N 445.535 5.153 30 20 IKED CCc1ccc(C#CC(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)cc1 815638865 HWSNYCMHSBGSMN-UHFFFAOYSA-N 438.314 5.193 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3(Cc4ccc(F)cc4)CCOCC3)n2)cc1 815910689 DPXVGZDISKLKJH-OAQYLSRUSA-N 434.536 5.473 30 20 IKED COc1ccc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCc1cccnc1 915048631 JSFPNYPNSLAAAQ-UHFFFAOYSA-N 446.385 5.042 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)cc1 915100237 NFWOHWIDQGNYKX-FQEVSTJZSA-N 447.560 5.885 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(C4SCCCS4)cc3)cn2)c1 915175125 MNBCDHOWMMUCNT-UHFFFAOYSA-N 433.558 5.867 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccnc(N3CCCCC3)c2)cc1 916254921 SNRLYFWJIPKISK-DEOSSOPVSA-N 425.536 5.049 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 916902972 JKMQYWHTUVBLOZ-KSFYIVLOSA-N 427.548 5.379 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2cccc(Cl)c2)n1 916906687 IZGQMMWRYAWZPQ-SFHVURJKSA-N 437.952 5.549 30 20 IKED Cc1sc(-c2ccco2)nc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916908115 LLEQYZDBVZUQJL-KRWDZBQOSA-N 443.484 5.465 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccccc3)n(-c3ccccc3)n2)cc1 916913074 LZKZPPXGINVQIM-HSZRJFAPSA-N 434.499 5.063 30 20 IKED N#C[C@@H](C(=O)CSc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1Cl 916928413 KMDGNMGXACIXOW-ZDUSSCGKSA-N 447.265 5.452 30 20 IKED C=CCn1c(Cc2ccccc2)nn(CN(C)Cc2cccc(Br)c2)c1=S 918178168 AMAHZXZEPIRTDK-UHFFFAOYSA-N 443.414 5.043 30 20 IKED N#C[C@@H](C(=O)COc1ccccc1Cc1ccccc1)c1nc(-c2ccncc2)cs1 920266068 WXGRGEQWICRZQZ-NRFANRHFSA-N 425.513 5.051 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(C4SCCCS4)cc3)cc2)cc1 921011596 ZAUBMSAPCPZIEY-UHFFFAOYSA-N 432.570 6.472 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4nc[nH]c4c3)CCC2)cc1 1785842239 WGIVMDHXMNBJNK-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cc4c(Cl)cncc4s3)cc2)CCC1 1788311786 XJLIYOHCUOCYEJ-UHFFFAOYSA-N 437.952 5.111 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4cnccc34)CCC2)cc1 1789453647 DJFSEHOMWZHHCX-HSZRJFAPSA-N 439.559 5.751 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3onc4ccccc34)CCC2)cc1 1789458229 RDCPKYQDAGGXDT-HXUWFJFHSA-N 429.520 5.344 30 20 IKED C[C@H](C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)c[nH]3)cc2)CCC1)c1ccc(Cl)cc1 1790143591 DIYRJRLIDIGUNW-INIZCTEOSA-N 446.938 5.091 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cccc(-c4cnco4)c3)cc2)CCC1 1790709402 DDGWFANAPWJHKO-UHFFFAOYSA-N 447.560 5.009 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cccc4cc(C)[nH]c34)CCC2)cc1)C(F)(F)F 1791302773 JMDZUJYUZPWUQA-UHFFFAOYSA-N 441.453 5.343 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)n4cccc4)CCC3)cc2)c1 1792126223 BSTWVGJBNFBZQJ-UXHICEINSA-N 440.547 5.124 30 20 IKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccnc1 1803087748 WJNCGNGFSRGJNY-UIOOFZCWSA-N 445.607 5.293 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)CCCc3ccccc3F)C2)CC1 1805497910 NQGRMLUEYCXYDR-HSZRJFAPSA-N 440.603 5.148 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(CCC)cc2)[C@H]1c1cccnc1 1812031786 YXVXWEQIBWYBDH-JIMJEQGWSA-N 445.607 5.122 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)c2cccs2)n[nH]1 1822704405 VOWYBJWIJLZSMQ-QFBILLFUSA-N 426.586 5.035 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2F)CC1 1823899644 KFFIWMDRJCHZPH-NZQKXSOJSA-N 446.994 5.481 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CSC2CCCC2)CC1 1824478093 DJZOGAWBOBIXEE-JOCHJYFZSA-N 434.690 5.274 30 20 IKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)Sc2cccs2)CC1 1828779310 ONSHLRUJADSUGM-TZIWHRDSSA-N 446.682 5.042 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3sccc3[nH]2)CC1 1828827975 ARZAELGACYWDGD-SIKLNZKXSA-N 439.625 5.231 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)c(C)c2)CC1 1830564755 MEXVGPUYEIODMY-DEOSSOPVSA-N 426.576 5.136 30 20 IKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1831856551 YFONNVUUAVLBAU-UPVQGACJSA-N 431.020 5.275 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173141 NNSRHLFJIKJGLM-UHFFFAOYSA-O 437.588 5.924 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccccc1CC 10174257 KUUFQYQPRNKOMD-UHFFFAOYSA-O 434.541 5.058 30 20 IKED O=C(/C(=C(\S)Nc1ccc(F)c(Cl)c1)[n+]1ccccc1)c1ccc2c(c1)CCC2 10760981 LQELLPBYNVVENO-UHFFFAOYSA-O 425.936 5.306 30 20 IKED C=CCN(C(=O)c1ccc(Br)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14724185 RZPBQZRORBZVFX-UHFFFAOYSA-N 444.310 5.314 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1cccc(C)c1 16862989 CFNCXXSAHFHHRH-OAHLLOKOSA-N 437.956 5.084 30 20 IKED Cc1nc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c2c(C)c(C)sc2n1 22168037 WNSFIUKYDLVCRZ-NSHDSACASA-N 428.608 5.158 30 20 IKED N#CCCn1cc(C(=O)COc2ncnc3c(Cl)cc(Cl)cc23)c2ccccc21 58050184 AYOVXDXGTGRAKR-UHFFFAOYSA-N 425.275 5.067 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1Oc1ccccc1Cl 58418755 SXKUFTRNDUTRBP-UHFFFAOYSA-N 435.911 5.684 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](CCC(C)C)c1ccc(Cl)cc1 59317341 HCDWIJNXBRFMRX-JOCHJYFZSA-N 437.975 5.098 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 63392657 JUHNRMXPXIQNQJ-UHFFFAOYSA-N 448.454 5.206 30 20 IKED COc1cc(C(=O)/C=C/c2cc(Br)c(O)c(OC)c2)ccc1SC(F)F 63874769 QPQLSYYGKDWWQO-HWKANZROSA-N 445.281 5.383 30 20 IKED CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 64292615 FCVBYFUFOYZTCY-UHFFFAOYSA-N 443.572 5.631 30 20 IKED COc1cc(CN[C@H](C)c2cccc(C#N)c2)ccc1OCCOc1ccccc1Cl 237224455 BTAZFGRQZSVHOU-GOSISDBHSA-N 436.939 5.529 30 20 IKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3C)o2)ccc1Cl 302928875 DGFJXKLLCGECER-UHFFFAOYSA-N 426.929 5.046 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)c1 303751083 AIHRRWNWIJTNNN-QHCPKHFHSA-N 445.494 5.120 30 20 IKED COc1cccc(/C=C(/CC(=O)N(C[C@H](C)C#N)C2CC2)c2nc3ccccc3s2)c1 426973609 KZQPZYYSYABCHQ-UEXNTNOUSA-N 431.561 5.386 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)c1c(-c2cccc(Cl)c2Cl)noc1C 430807510 MTUZHQQVZQEHAL-UHFFFAOYSA-N 446.290 5.106 30 20 IKED Cc1cc([C@@H]2CCCN2C(=O)Nc2ncccc2OCCCC#N)ccc1Br 432429484 PJQDOBWKPMEPNR-SFHVURJKSA-N 443.345 5.204 30 20 IKED CC1(C)CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)[C@H]1c1ccncc1 432855185 QGCUFIODYUJURY-QHCPKHFHSA-N 446.938 5.801 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cc(F)c(Cl)cc2F)cc1 433266941 XHKLUBHERBSHHK-UHFFFAOYSA-N 441.865 5.585 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3nc4c(s3)CCCCCC4)c2)cc1 435006966 CPLNAJZZCRWYDS-UHFFFAOYSA-N 446.532 5.043 30 20 IKED O=C(c1ccc(F)cc1C(F)(F)F)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 435357741 MSUYFLRLJPPPMX-VIFPVBQESA-N 426.357 5.340 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(Cl)ccc1Cl 437447732 NITSQUNQUBGASU-CYBMUJFWSA-N 425.406 6.117 30 20 IKED COc1ccccc1C[C@@H](C)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 437739549 XGEWUZDOOUGFCV-JPYJTQIMSA-N 447.966 6.099 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C)Nc1ccc(Oc2ccccc2C#N)c(F)c1 439659713 HDQHLLWQLYMJNF-KRWDZBQOSA-N 431.511 6.054 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(F)c(F)cc3Br)cc2)c1 440771057 AWLNHLUPYQAOBK-UHFFFAOYSA-N 443.247 5.430 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C[C@@H](C)O)[C@H](C)Cc1ccc(Cl)cc1 441639710 XJYDPANRMZVPHB-RCCFBDPRSA-N 446.016 5.438 30 20 IKED COc1ccc(-c2ncc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)s2)cc1 442668906 FURUVKZQJOVHJO-AWEZNQCLSA-N 425.922 5.572 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Br)cn3C(C)C)n2)cc1 442679834 LGEFLURBNYINDF-INIZCTEOSA-N 428.355 5.754 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3c(F)cc(Br)cc3F)o2)cc1 443880593 PBWGERKFOIRQJE-UHFFFAOYSA-N 433.208 5.023 30 20 IKED Cc1nc(-c2ccc(CCNC(=O)c3cn(CCCC#N)c4ccccc34)cc2)cs1 443930554 VOGHIOIZQRMEPN-UHFFFAOYSA-N 428.561 5.350 30 20 IKED Cc1cccc2nc(C3CCN(C(=O)c4ccccc4Oc4ccccc4C#N)CC3)oc12 444554700 WCSXCLRYOMWWTB-UHFFFAOYSA-N 437.499 5.820 30 20 IKED Cn1ccnc1[C@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 444858333 XZMXHZZNTMNYBB-RXVVDRJESA-N 433.943 5.140 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](C)c1ccc(Br)s1 463142650 QPZJGDQNIZHYER-AWEZNQCLSA-N 441.350 6.225 30 20 IKED C[C@H](NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1cccc(OCc2ccccn2)c1 465665306 PPMRPSVMUGZIRQ-GKBBYZSKSA-N 440.547 5.203 30 20 IKED CSc1cccc([C@@H](NC(=O)NCc2cc(C#N)ccc2F)c2ccc(F)c(F)c2)c1 466207697 ZRKVZJJHHKIOCB-JOCHJYFZSA-N 441.478 5.286 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 467051510 PHFINRVCWKMHLS-UHFFFAOYSA-N 449.473 5.866 30 20 IKED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(OCc2ccccc2)cc1 468879874 FVQJEQSABAEWKJ-OAQYLSRUSA-N 439.559 6.022 30 20 IKED Cc1ccc(OCCCC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c(Cl)c1 469968877 GQURGBKWNUCUHH-UHFFFAOYSA-N 439.943 5.029 30 20 IKED C=CCn1c(SCC(=O)Nc2c(C)cccc2SC)nnc1-c1ccc(Cl)cc1 472250939 WUFPVARXCNBCDT-UHFFFAOYSA-N 445.013 5.546 30 20 IKED CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 475327183 HKJADRHKLWLYMC-OAQYLSRUSA-N 443.513 5.216 30 20 IKED N#Cc1cc(Cl)ccc1CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1 479232295 PPRQMFBRCQRFLK-GOSISDBHSA-N 449.967 5.423 30 20 IKED C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1ccc(Sc2ccccc2C#N)cc1 480112972 XSPFNSGHKIICPE-ZQHDKMAOSA-N 434.586 5.280 30 20 IKED CCc1ccc([C@@H]2COCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)o1 480354254 HHGBZAYSODJVLD-GGAORHGYSA-N 449.938 5.756 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C2CC2)cc1 480404267 KOCUUZHLZVHHCX-VWLOTQADSA-N 443.503 5.641 30 20 IKED Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 480627737 UVIWPHSEKRPOKV-UHFFFAOYSA-N 437.421 5.470 30 20 IKED CC[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccccc1OCC(=O)N1CCCC1 481928943 TWAUYZMTEIQJKL-DQEYMECFSA-N 431.580 5.068 30 20 IKED CSc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1[N+](=O)[O-] 485746622 DMFFYGHUZQYQQS-SFHVURJKSA-N 437.908 5.878 30 20 IKED Cc1nc(NC(=O)c2oc3c(C)cc(Br)cc3c2C)sc1SCC#N 488633796 UDRFSOSVDXIBOU-UHFFFAOYSA-N 436.356 5.445 30 20 IKED N#C[C@H](C(=O)c1coc(-c2ccc(Br)cc2F)n1)c1nc2ccccc2s1 496129213 LDYNMCPICPACFR-GFCCVEGCSA-N 442.269 5.343 30 20 IKED C=CCN(CCc1ccccc1)C(=O)c1oc2ccccc2c1CSc1nnc(C)s1 499624445 GDGMYGZHWIHTHV-UHFFFAOYSA-N 449.601 5.756 30 20 IKED CN(C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C1CCN(Cc2ccccc2)CC1 503227231 UWGLSPMWRPRALJ-UHFFFAOYSA-N 440.547 5.479 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F 506644841 FUFBMCUQHSACCL-NSHDSACASA-N 434.892 5.554 30 20 IKED N#Cc1ccc(NC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1Cl 512394949 MRPHQRNIOCCIJZ-UHFFFAOYSA-N 429.863 5.391 30 20 IKED O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NCC#Cc1cccc(C(F)(F)F)c1 514835565 VDADVZLDDYVYIV-UHFFFAOYSA-N 434.870 5.193 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(CSc2nc(C)nc(C)c2C#N)cs1 515605636 KQOMXJOMVLPOBU-UHFFFAOYSA-N 429.958 5.052 30 20 IKED COc1ccc(Br)c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1 515626346 ZPDLITJSLSOSMR-UHFFFAOYSA-N 439.334 5.409 30 20 IKED CCOc1cc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1OC(F)F 517474197 YOJMFBBMLOTPKF-CQSZACIVSA-N 435.496 5.260 30 20 IKED Cc1nc(-c2ccccc2)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 517800988 VCFIUCAIUMJSOQ-SFHVURJKSA-N 426.526 5.604 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N1CCC[C@H]1c1ccsc1 518565206 JYUFEUVALTZNOF-QFIPXVFZSA-N 431.517 5.023 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Oc3ccccc3)nc2)cc1C 519938795 LRVGQUQZURLQPL-UHFFFAOYSA-N 437.503 5.520 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H](c2ccccc2)[C@H]2CCCO2)cc1OCC 520217721 DVBWDBYBQWFGCX-IRLDBZIGSA-N 446.385 5.423 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NCC3CCN(Cc4cccs4)CC3)cc2)cc1 520339352 QHFZUBBOAAKFKR-UHFFFAOYSA-N 445.588 5.248 30 20 IKED CC(C)Cn1ncc(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1C1CC1 521656297 ZDSQBVSOXIRCKE-UHFFFAOYSA-N 442.523 5.184 30 20 IKED N#Cc1ccc(OCC(=O)Nc2cccc(NC(=O)Nc3cccc4c3CCCC4)c2)cc1 521791951 CJEYMIPPJVCHIK-UHFFFAOYSA-N 440.503 5.099 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3cc(F)ccc3OC[C@@H]3CCCO3)c2)cc1 523149478 HUIJAXJRMXTSPZ-QFIPXVFZSA-N 431.467 5.251 30 20 IKED Cc1cc(NC(=O)c2oc3ccccc3c2CSc2ccccc2F)n(CCC#N)n1 523660752 NMZYRLMMCULSPV-UHFFFAOYSA-N 434.496 5.535 30 20 IKED CC(C)Oc1ccc(CC[C@@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 524565906 JIFUNKLSWIQVCB-RTBURBONSA-N 425.598 5.868 30 20 IKED N#Cc1ccccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F 524818585 XGRJGSYTLFNOTI-UHFFFAOYSA-N 434.361 5.249 30 20 IKED N#Cc1ccc(SCC(=O)N2CCC(c3nc4ccccc4s3)CC2)c(Cl)c1 533177565 VRMCPBFKISZKBT-UHFFFAOYSA-N 427.982 5.320 30 20 IKED COc1ccccc1[C@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccccn1 535548790 JWZWHESHFSMVPL-MHZLTWQESA-N 449.510 5.060 30 20 IKED C[C@@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 536815744 LUZVRLFXQYQEBZ-CYFREDJKSA-N 447.966 5.800 30 20 IKED C=CCCC[C@H](C)NC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 537240313 YZIHVNFAKOVOOZ-JTQLQIEISA-N 436.812 5.352 30 20 IKED C[C@@H](NC(=O)N(C)Cc1nccn1Cc1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 543016498 DKDHKUWDHSJHIO-OAQYLSRUSA-N 449.558 5.373 30 20 IKED C[C@@H](NC(=O)N[C@H](c1ccccc1)c1nccn1C)c1ccc(-c2cccc(C#N)c2)cc1 543909875 CJCTZOIREOIDID-KBMIEXCESA-N 435.531 5.109 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ccc(-c2ccccc2)cc1F 551543356 QHFXNFGQECGVGY-QGZVFWFLSA-N 447.535 5.142 30 20 IKED C[C@@H](CC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccc(C(F)(F)F)cc1 552347396 YEINZAPWXYNORT-HNNXBMFYSA-N 434.433 5.280 30 20 IKED C[C@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(-c2ccc(F)cc2)cc1 554601013 FWUQGVHOHQAYPE-IBGZPJMESA-N 428.511 5.216 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2scc(C)c2C#N)c(OC)c1 554774719 YOHQQOQFVSPAIT-UHFFFAOYSA-N 445.544 5.665 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)CCCc3cc(Cl)sc3Cl)CC2)c(F)c1 557122356 VFWRLCPUSKQHNU-UHFFFAOYSA-N 441.355 5.458 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)cc1 558746558 JWTANHWPNHPBTN-RHHYMUMYSA-N 429.564 5.443 30 20 IKED C[C@@H](CC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccccc1C(F)(F)F 563643877 VAOLYXJXQFQAHC-HNNXBMFYSA-N 434.433 5.280 30 20 IKED CC1(C)CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)[C@@H]1[C@H]1CCCO1 571206378 QLOKVQIYPNLTEK-NHCUHLMSSA-N 425.916 5.425 30 20 IKED N#CCC1CCN(CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)CC1 571355976 LKSDFYUWYLOGCZ-UHFFFAOYSA-N 448.567 5.108 30 20 IKED C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCc1cc(F)c(C(F)(F)F)cc1F 573156120 VPSQWLVMAJHZCG-SNVBAGLBSA-N 440.334 5.509 30 20 IKED C=CC1CCN(c2nnc(COc3ccccc3-c3ccccc3)n2C[C@H]2CCCO2)CC1 575005595 QKOSIYLQUCVYTF-HSZRJFAPSA-N 444.579 5.106 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cn(C)nc3-c3ccccc3Cl)n2)cc1 595869225 GPTLVHSHUPBWMN-QGZVFWFLSA-N 448.935 5.363 30 20 IKED CN(Cc1ccc(Br)s1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603692890 QGLAZWYJIUJFSB-UHFFFAOYSA-N 443.326 5.233 30 20 IKED COc1ccc(-c2nnc(S[C@@H](C#N)Cc3ccccc3)n2CCc2ccccc2)cc1 603986390 ZHGNZXYQPXCALA-XMMPIXPASA-N 440.572 5.423 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)COc2cccc(C(F)(F)F)c2)cc1 604004133 YOTSQIVEOGCLRJ-UHFFFAOYSA-N 440.421 5.368 30 20 IKED CCc1c(C)sc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)c1C#N 609032509 KKRCLNNDYLAEKG-UHFFFAOYSA-N 435.578 5.797 30 20 IKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c12 609377016 OIMREYMALPUDPS-OAHLLOKOSA-N 446.532 6.110 30 20 IKED CCCC1CCC(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)CC1 609403219 DSWOCFQJGYCREG-UHFFFAOYSA-N 441.519 5.125 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cc(F)ccc3OC[C@@H]3CCCO3)cc2)cc1 609505233 MULSNXCHFVSQEZ-QHCPKHFHSA-N 446.478 5.494 30 20 IKED Cc1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c(OCC(F)(F)F)c1 609643169 XTMNLZUYAYLWKT-UHFFFAOYSA-N 440.421 5.639 30 20 IKED CC(C)(C)Cc1nc2cc(NC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)ccc2o1 609810866 GEHQWGBJDRCXSH-UHFFFAOYSA-N 445.567 5.028 30 20 IKED C[C@@H](NC(=O)N(CCCN(C)C)Cc1ccc(Cl)c(Cl)c1)c1cccc(C#N)c1 610407225 ZLTMLWOBFAWUPO-MRXNPFEDSA-N 433.383 5.090 30 20 IKED Cc1nn(C)cc1[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 610730177 IDGUHNWUJSCERV-OAQYLSRUSA-N 435.915 5.415 30 20 IKED COc1cccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1OC(F)F 613404120 JUYCWUIIBUYYTB-NSHDSACASA-N 442.365 5.415 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1nc2cc(C(F)(F)F)ccc2s1 613405220 VLJZMWORBPWYAR-OAHLLOKOSA-N 446.841 5.644 30 20 IKED Cc1cc(-c2noc([C@H](C)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)n2)ccc1F 618453847 VGZVYSGPWQECRL-CYZMBNFOSA-N 425.348 5.308 30 20 IKED C[C@H](CC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 619622549 XYUGPXBVZQWSTH-SWHYSGLUSA-N 435.330 5.788 30 20 IKED Cc1cc(C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)c(C)n1CC(F)(F)F 669754838 WXBBTMWYTXWDIH-UHFFFAOYSA-N 426.332 5.390 30 20 IKED Cc1c([C@@H](C)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)nnn1-c1ccc(F)cc1 675737818 JPKCXDPZFUTJBS-PBOSXPJTSA-N 438.391 5.275 30 20 IKED COC(=O)c1ccc(COc2ccc(/C=C\C(=O)c3cn(C)c4ccccc34)cc2OC)o1 726740670 OANXQTJSOHCZBJ-FLIBITNWSA-N 445.471 5.042 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3SC(F)(F)F)cc2)c1 728006153 GXBKXVLICULRQP-UHFFFAOYSA-N 428.435 6.001 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@@H](c3ccccc3)C(F)(F)F)n2)cc1 728770935 ZPDHTHXLBZFARR-ROUUACIJSA-N 425.435 5.594 30 20 IKED CC[C@H](C)Oc1ccccc1/C=C/C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 729890027 WGBZYZIKJKQGEO-XZOLJPANSA-N 444.503 5.539 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 730921217 WBAYTFNPYWTLOF-XUVXKRRUSA-N 432.907 5.261 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)cc1 730944017 PQOAKCLLXUQJIW-PGRDOPGGSA-N 444.560 5.112 30 20 IKED CN(C(=O)c1ccco1)c1ccccc1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 731007182 IPCOUXPXLFVDKG-UHFFFAOYSA-N 437.455 5.472 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(C(F)(F)F)nc2O)ccc1OCc1ccc(F)cc1 731563159 MMKFXWULJIFHMQ-RUDMXATFSA-N 447.384 5.429 30 20 IKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NNc1cnnc2ccccc12 733748447 XZJNTQMTHZKAEP-UHFFFAOYSA-N 430.821 5.242 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2sc(-c3ccccc3)nc2C)c1 733801576 LWOYBTHLSCTYBD-PXNSSMCTSA-N 434.565 5.360 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1 734644769 VNRMNDLCTXBNOM-OAQYLSRUSA-N 443.894 5.367 30 20 IKED CCCn1c(SCc2cc(Cl)ccc2OCC#N)nc2sc3c(c2c1=O)CCC3 735231346 SISBNIURUKQDNQ-UHFFFAOYSA-N 445.997 5.205 30 20 IKED N#Cc1ccc(-c2ccc(OC(=O)c3cc(O)nc4ccc(Br)cc34)cc2)cc1 737466288 AHLJOIIDACLCPD-UHFFFAOYSA-N 445.272 5.461 30 20 IKED CS(=O)(=O)c1ccc(C(=O)/C=C/c2cccc(OCc3ccccc3Cl)c2)cc1F 741846461 GKHWHHDVZXOVKK-PKNBQFBNSA-N 444.911 5.358 30 20 IKED C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N 746137869 RRDYPJUKLRYBHY-XJKSGUPXSA-N 425.319 5.223 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)c1ccccc1 746172157 DYBPDONMSCGENM-RBUKOAKNSA-N 447.457 5.042 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)NCCNc2ccc(C#N)cn2)c(C(F)(F)F)c1 749002470 JJYUQJLIMYMMOT-ZDUSSCGKSA-N 437.491 5.096 30 20 IKED CC[C@](C)(C#N)NC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 749611675 DWPQADJSGVGPFW-OAQYLSRUSA-N 440.619 5.378 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 752047047 YXFUQRASDRSGPC-CYXNTTPDSA-N 436.511 5.053 30 20 IKED N#C[C@@H](C(=O)Cc1c[nH]c2cccc(Br)c12)c1nc(-c2ccccc2)cs1 754531874 NSXSEZUHIKBMFD-HNNXBMFYSA-N 436.334 5.473 30 20 IKED C[C@@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc([N+](=O)[O-])cc1F 755641845 ZBPYJSXYPAIQOX-MFKMUULPSA-N 431.395 5.116 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccc(F)cc2)c(C)s1 756234223 SSOQSAGVIMJJTQ-OAQYLSRUSA-N 434.536 5.949 30 20 IKED Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 756301934 LIPCRIOGVIPROB-LOSJGSFVSA-N 449.558 5.697 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cc1ccccc1NC(=O)OC(C)(C)C 756516662 VVTMQTRRVSCEDE-FQEVSTJZSA-N 449.551 5.048 30 20 IKED COC(=O)Nc1cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)ccc1F 761419188 VNIJARGFOJRSQO-UHFFFAOYSA-N 439.830 5.574 30 20 IKED N#Cc1ccc(NC(=O)COC(=O)c2sc(-c3ccccc3)nc2C(F)F)cc1Cl 761625198 GAXSYCFJINDJDT-UHFFFAOYSA-N 447.850 5.068 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\Cc3cc(Cl)cc(Cl)c3C2=O)cs1 764432839 NUFIAALQVKKWTC-OQLLNIDSSA-N 443.355 6.265 30 20 IKED C=C(Cl)COc1ccc([C@@H](C)N[C@@H](c2cc(OC)cc(OC)c2)c2nccn2C)cc1 764813925 LKROGNCLKVYGGP-HXOBKFHXSA-N 441.959 5.009 30 20 IKED N#CC(CCn1nc(Br)c(=O)c2ccccc21)(c1ccccc1)c1ccccc1 766066960 KMSGCQLKXXBLII-UHFFFAOYSA-N 444.332 5.059 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(OCc3ccccc3F)CC2)cc1 768868656 PDGBKGPVQXJGJE-RUZDIDTESA-N 443.522 5.694 30 20 IKED O=C(/C=C\c1ccnc(Cl)c1)C(c1nc2ccccc2s1)c1nc2ccccc2s1 771259656 WFXYVSGOOMJHHG-KTKRTIGZSA-N 447.972 6.369 30 20 IKED CN(Cc1ncc(Cl)n1C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 779025601 OUKMOFXYPBGBMB-KRWDZBQOSA-N 428.323 5.046 30 20 IKED N#C[C@H](C(=O)NCc1ccc(F)cc1F)C(=O)c1sc2cccc(Cl)c2c1Cl 786561816 PNRUKEBLUXIVLA-NSHDSACASA-N 439.270 5.125 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)[C@H](C)c1ccc(Cl)s1)c1ccc(Cl)cc1Cl 787049993 NOKVJEKUAVAVQN-NRUUGDAUSA-N 429.756 5.398 30 20 IKED C[C@@H](NC(=O)[C@@H](C#N)C(=O)Cc1c[nH]c2cc(Cl)ccc12)c1ccc(Cl)cc1Cl 787054844 XFPIAPSMHTYBRT-DIFFPNOSSA-N 448.737 5.257 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2nc(Br)ccc2F)cc1Cl 791517745 ZMEYRMDASHEBJZ-HNNXBMFYSA-N 444.691 5.544 30 20 IKED N#Cc1ccsc1NC(=O)CCN[C@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl 796472634 YUOSGAUVUNCPNL-MRXNPFEDSA-N 441.771 5.131 30 20 IKED C[C@@H](C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 798390933 YHHSTTSEDQLZMX-QQUHWDOBSA-N 435.330 5.835 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(N2CCCCC2=O)cc1 810184225 OAQMXGIKYHWNCH-QZTJIDSGSA-N 436.581 5.480 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(OC(F)F)c(F)c1 815908066 RHJJRPCUVXWLIU-MRXNPFEDSA-N 440.377 5.181 30 20 IKED Cc1cc(C)n(Cc2cccc(-c3noc(-c4cn(CCCC#N)c5ccccc45)n3)c2)n1 904525293 IKMASEBSYIQBCJ-UHFFFAOYSA-N 436.519 5.524 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cc(-c4cccnc4)nc4ccccc34)cn2)c1 915198299 DKONOISUBHYSHQ-UHFFFAOYSA-N 443.466 5.608 30 20 IKED Cn1c([C@@H](C#N)C(=O)/C(=C/c2ccc(Cl)cc2)c2ccc(F)cc2)nc2ccccc21 916627362 PELOPCOLRYKCMI-UKQGIEBLSA-N 429.882 5.783 30 20 IKED Cc1ccc(C(C)C)c(O[C@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 916931173 JIUKHUALFRTRPX-RHSMWYFYSA-N 433.335 5.540 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1/C=C/C(=O)c1ccc(OCc2nccn2C)cc1 917517578 IXCAKDPEVGKDMW-OUKQBFOZSA-N 446.938 5.351 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cccc(OC2CCCC2)c1 917536597 YYXIGTOXMMBGPB-UHFFFAOYSA-N 429.545 5.637 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2nn(-c3ccccc3C)c3c2CCC3)cc1 920874975 IUCWCVCLAXVDEF-VGOFRKELSA-N 440.547 5.144 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5ccoc5c4)CCC3)cc2)cc1 1790707910 UVRWYFWEQTVTEL-UHFFFAOYSA-N 449.510 5.560 30 20 IKED Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)o1 1791950032 VMEJCGPHZLWVPE-SFHVURJKSA-N 441.531 5.206 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@]3(F)CCCC=C3F)cc2)CCC1 1792376119 MZQHVQWDKHJDBV-NLFFAJNJSA-N 428.523 5.635 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C(C)C)C2 1798337835 ITUOYSGGLUEVHP-KEJFTWOCSA-N 443.031 5.486 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)cc2)[C@H]1c1cccnc1 1811901290 FPVSGWDBTGVVKI-RBBKRZOGSA-N 439.987 5.047 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC2CCCC2)n[nH]1 1816685662 PZSOZAMTNREIPC-OAQYLSRUSA-N 442.680 5.033 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccsc2)CC1 1824139722 PRSHYVYSILTLOI-BREAQWACSA-N 426.626 5.149 30 20 IKED CC(C)[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC#N)CC1)c1ccc(Cl)cc1 1824246097 FHCUKEGGJLNBJP-UPVQGACJSA-N 444.019 5.003 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3cccnc23)CC1 1828036602 YGERMBPRGSZUMK-VWLOTQADSA-N 445.607 5.237 30 20 IKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1 1828461079 WWFIXGNMKSHHQF-MNPUUQGPSA-N 440.672 5.406 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)c(OC)c2)CC1 1828827012 GQWPJAKCQJRTKP-RPWUZVMVSA-N 438.612 5.005 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc(Cl)c2)CC1 1828828929 AMSJGRFLIOWMFH-DHIUTWEWSA-N 446.994 5.481 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OC(C)(C)C)cc3)CC2)C1 1830597114 RMROXCYFSDJUFH-DEOSSOPVSA-N 438.612 5.063 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)COC(=O)c2sc3ccccc3c2Cl)cc1 11331628 BXPZDISHBQCOPU-UHFFFAOYSA-N 442.924 5.057 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(C)c([N+](=O)[O-])c2)cs1)c1ccc(F)cc1F 15188321 UMNNJPBYOYGZKH-SOFGYWHQSA-N 443.431 5.219 30 20 IKED C=CCn1c(SCc2nc(-c3cccc(Cl)c3)no2)nnc1-c1ccc(F)cc1 17704955 ZBHWFRHBTMHMNW-UHFFFAOYSA-N 427.892 5.266 30 20 IKED N#CCSc1ccccc1NC(=O)COC(=O)CC(c1ccccc1)c1ccccc1 22141245 INLPQRWVXDWZKT-UHFFFAOYSA-N 430.529 5.006 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc(CC)cc2)cc1 22730597 MPHSNTLUJXCORG-UHFFFAOYSA-O 439.988 5.640 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)c(Cl)cc1Cl 32040536 IHEUCSXIHHCZIU-RNFRBKRXSA-N 426.159 5.772 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCc2c[nH]c3cc(F)ccc23)cc1 65369173 ZPHUSJPORJZOSE-UHFFFAOYSA-N 442.494 5.316 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)c1 237023717 GEYPKCRXFKEINO-QFIPXVFZSA-N 434.565 5.107 30 20 IKED C=CCc1cc(CNCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc(OC)c1O 237405412 CCARZEZTKYBBNU-UHFFFAOYSA-N 439.559 5.331 30 20 IKED N#Cc1cccc(COc2cccc(CNCCc3coc(-c4ccc(F)cc4)n3)c2)c1 237929388 RIJFPUIDPHDTCX-UHFFFAOYSA-N 427.479 5.264 30 20 IKED CS(=O)(=O)c1cccc([C@H](Nc2ccc(C#N)c(Cl)c2)c2ccc(Cl)cc2)c1 301415556 ATGLWTUGRSAERX-OAQYLSRUSA-N 431.344 5.470 30 20 IKED N#Cc1cccc(Sc2nnc(-c3cccnc3)n2-c2ccc(Cl)c(Cl)c2)n1 301845346 MDXPBMNOUGOHCH-UHFFFAOYSA-N 425.304 5.054 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 302946141 LIEUMDOKAIIDOZ-UHFFFAOYSA-N 445.910 5.235 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1Cl 302995427 YJLVTLDMDYTVCS-UPVQGACJSA-N 446.934 5.806 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)CCCCOc1cccc(C#N)c1 303504089 RWMOMFZQYIPVIU-UHFFFAOYSA-N 427.504 5.307 30 20 IKED C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccc(F)cc1OCC(F)(F)F 303597277 NIPVUSQGRAXBOC-JTQLQIEISA-N 425.300 5.192 30 20 IKED C=CCCc1ccccc1NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 410353508 RYJGPKFXDYDNFZ-UHFFFAOYSA-N 430.335 6.123 30 20 IKED Cc1ccc(OC(F)F)c(CSCC(=O)Nc2ccccc2S[C@H](C)CC#N)c1 427714114 STJBNBXYPCWBEL-OAHLLOKOSA-N 436.549 5.863 30 20 IKED N#CCSc1cccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 431025981 VJIAGEOIKCXICW-KRWDZBQOSA-N 438.940 5.025 30 20 IKED Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(C(C)(C)C#N)cc2)ccc1Br 431812942 OPPPUIFZNIPVRY-HXUWFJFHSA-N 426.358 5.928 30 20 IKED C=CCN(C(=O)c1ccn(C(CC)CC)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 432360024 SXFJWXSLOOSOHA-UHFFFAOYSA-N 425.514 5.109 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)cc1F 437474409 NUZZUQFMCZWRSE-RBUKOAKNSA-N 430.435 5.003 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cc(C#N)cs1 437662690 ODGNQXUYOJTLIV-UHFFFAOYSA-N 429.423 5.452 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccccc1CS(C)(=O)=O)c1ccc(C(F)(F)F)cc1 442193443 IEVURKGGOLHKJI-GOSISDBHSA-N 440.487 5.079 30 20 IKED C=CCN(Cc1cccs1)C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444014494 PNHZJFYNFCJAKZ-MRXNPFEDSA-N 436.421 6.158 30 20 IKED C=CC[C@@H]1N(C(=O)CCSCc2nc(O)c3c4c(sc3n2)CCC4)CCCC1(C)C 444645887 QOJKJCSWSDUQKU-KRWDZBQOSA-N 445.654 5.102 30 20 IKED N#Cc1ccc(CN(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)C2CC2)cc1 446356105 WKLCFUOELANAGU-SFHVURJKSA-N 425.813 5.328 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1noc(C2CCCCC2)n1 448045962 VRAVJJORXARJTK-UHFFFAOYSA-N 425.558 5.075 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@](CO)(Cc3ccccc3)C2)cc1 462894641 OKZZOJPAUJJZPE-NDEPHWFRSA-N 440.543 5.116 30 20 IKED CC(C)(C)Cc1nc(-c2ccc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)cc2)no1 464414394 JYAATJJMWAJRRC-INIZCTEOSA-N 428.414 5.229 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)cc1 467096481 QMMVRGUAFFRNBH-SFHVURJKSA-N 430.577 5.538 30 20 IKED C[C@@H](NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc(C#N)cc1 468402377 JTIRZRULEAOEIN-CYBMUJFWSA-N 429.307 5.115 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CN[C@H](c3ccccc3)C(F)(F)F)cc2)cc1 468745029 AKPOVXOLIHYRCN-JOCHJYFZSA-N 425.410 5.182 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(c2ncc3n2CCCC3)CC1 469257301 OUUMYFQCTRRDMD-UHFFFAOYSA-N 442.588 5.262 30 20 IKED Cc1ccc(C(C)C)c(OCCC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 469956926 QSCBRSNCMRFDDA-UHFFFAOYSA-N 433.552 5.109 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)N(CCC#N)Cc1ccccn1 473823211 WFIXGKTXNSRAOT-UHFFFAOYSA-N 442.498 5.031 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)cc1C 475847511 FLJWQSDFBVYOTJ-UHFFFAOYSA-N 444.926 5.172 30 20 IKED O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)N(CCC(F)(F)F)CC1CC1 482428085 SAGBQXVCXIYWRI-CYBMUJFWSA-N 434.327 5.265 30 20 IKED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(Cc2ccccc2Cl)C2CCCC2)cc1 483478482 RQHSGLUYQFHXTQ-MRXNPFEDSA-N 445.972 5.002 30 20 IKED C=CCn1c(SCc2nc(-c3ccc(F)c(F)c3)no2)nnc1-c1ccc(C)cc1 486617089 QUAQSVWDYSNIEY-UHFFFAOYSA-N 425.464 5.060 30 20 IKED CN(C)[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccsc1 501521238 GFZMLJXDFXUSSR-UNMCSNQZSA-N 438.984 5.481 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)NCc1cccc(Cn2cnc3ccccc32)c1 502280551 PHLORDYAVQYHHH-UHFFFAOYSA-N 428.511 5.122 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1 502636302 QPHPOJFPOBRLJG-UHFFFAOYSA-N 448.910 5.919 30 20 IKED N#C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1Cl 505694794 PPAMKLWLBZHZHW-KRWDZBQOSA-N 434.710 5.615 30 20 IKED C[C@H](Sc1nc(N)c(C#N)cc1C#N)c1nc2cc(Cl)ccc2n1Cc1ccccc1 507345014 FLESCSOUZRUTRF-AWEZNQCLSA-N 444.951 5.312 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)N[C@@H](C)c2ccccc2C)cc1 507813006 PXAIVPINNYPMOC-RBUKOAKNSA-N 429.520 5.345 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 508253183 RXMQDSRVUYDMGG-UHFFFAOYSA-N 440.503 5.675 30 20 IKED C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(c2ncc(C)s2)CC1 508839076 BYUPLOHDEAPVKZ-UHFFFAOYSA-N 446.045 5.559 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1Cl 510022088 BKNCCKPRJBNBSB-GMAHTHKFSA-N 448.954 5.547 30 20 IKED Cc1c(C#N)cccc1C(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F 510517337 ZPBOVWMJSAZULL-UHFFFAOYSA-N 441.384 5.529 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1 510533530 LKCWUQBDTXTZAY-FQEVSTJZSA-N 441.984 5.513 30 20 IKED N#C[C@H](C(=O)c1ccc(COc2ccccc2Br)cc1)c1nc2ccccc2[nH]1 513658606 AEFYVQGDNZVERB-QGZVFWFLSA-N 446.304 5.394 30 20 IKED C=CCN(C(=O)c1ccc(CSCC)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 515609536 KMJTUUXTDNYITR-UHFFFAOYSA-N 439.562 5.804 30 20 IKED CCc1cc(C#N)c(NC(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)s1 515713049 CWZZOVWDNKKWRM-UHFFFAOYSA-N 447.944 5.849 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C 516176290 HUPLXCCUNUBDRL-OAHLLOKOSA-N 432.014 6.292 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 518675561 GRPVVIWWQUSYOG-JXFKEZNVSA-N 441.572 5.310 30 20 IKED FC(F)c1nnc(N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)s1 519789575 NBHOTOAESJDSAM-SNVBAGLBSA-N 433.324 5.091 30 20 IKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)c1nc2ccccc2n1C(F)F 520834249 XGOINRNMFRZLIL-GFCCVEGCSA-N 440.441 6.629 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1COCc1ccccc1 521209575 AJSSEQDUWPIOTF-UHFFFAOYSA-N 427.548 5.965 30 20 IKED CCCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 521790733 XANLUQTZBCOBLN-UHFFFAOYSA-N 427.504 5.475 30 20 IKED Cc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c2n[nH]cc2c1 522590393 OAUNKWUCZVWTKF-UHFFFAOYSA-N 441.438 5.061 30 20 IKED COc1cc(-n2cccc2)c(Cl)cc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 523229591 SERKJFFLLLAJHP-AWEZNQCLSA-N 440.837 5.374 30 20 IKED Cc1c(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)oc2ccccc12 523768466 RIAODHOANRHPAM-UHFFFAOYSA-N 425.488 5.708 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2ccccc2-n2ccnc2)c1 523948134 MBTVWFDTZMWREF-UHFFFAOYSA-N 428.879 5.120 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H](OC2CCOCC2)c2ccccc2)cc1F 533956225 FVEADAMWUHBNPS-VWLOTQADSA-N 446.478 5.365 30 20 IKED C[C@H](CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nc(-c2ccccc2)no1 534090599 VFPAAIXTRZVTFC-QGZVFWFLSA-N 439.475 5.326 30 20 IKED COc1ccccc1[C@@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccccn1 534839773 ADWHDLPSRCVFHI-HHHXNRCGSA-N 449.510 5.060 30 20 IKED C[C@@H](NC(=O)Nc1cccc(-c2nnc3n2CCC3)c1)c1ccc(-c2cccc(C#N)c2)cc1 541075082 LVWUFVHWKZXXGE-GOSISDBHSA-N 448.530 5.313 30 20 IKED C[C@@H](NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc(-c2cccc(C#N)c2)cc1 541992101 MVCAKTMLIQOHMC-LJQANCHMSA-N 438.531 5.344 30 20 IKED CCOc1ccc(C(C)(C)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1OCC 543076066 ACRHUQZLABAIMQ-QGZVFWFLSA-N 426.582 5.652 30 20 IKED N#CCCn1cc(/C=C/c2nc(Cc3coc(-c4cccs4)n3)no2)c2ccccc21 545595199 FXUMMVUUQJLYDZ-CMDGGOBGSA-N 427.489 5.416 30 20 IKED C[C@@H]1C[C@@H](C)N1CC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccccn1)CC2(C)C 548098211 DIKLAWSYRGLPML-PIIXRYACSA-N 432.593 5.214 30 20 IKED Cc1csc(Oc2ccc(NC(=O)CCCC(=O)Nc3ccccc3C#N)cc2F)n1 548735916 ZAWGMOVGUHRYGM-UHFFFAOYSA-N 438.484 5.002 30 20 IKED C=C1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@H]2CCCCO2)CC1 549663819 TZLZSHPCXJSQGL-HXUWFJFHSA-N 435.597 5.103 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC([C@@H](F)c4ccccc4F)CC3)o2)cc1 552612146 LLTYJGGHTMEAIO-XMMPIXPASA-N 436.458 5.432 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)NCc3cnc(-c4ccc(Cl)cc4)s3)CC2)cc1 556460454 RKMQYJIRCDZFGV-UHFFFAOYSA-N 434.952 5.334 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3cc(C4CC4)nc4ccc(Cl)cc34)CC2)c(F)c1 557406557 DUWTYYBXXVFAPM-UHFFFAOYSA-N 449.913 5.460 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccnc(Oc2ccc(F)cc2F)c1 566048900 GJABUUIODPTJCT-CQSZACIVSA-N 425.460 5.799 30 20 IKED C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 573251418 LYWRCBSWBMFZHG-OXJNMPFZSA-N 449.555 5.694 30 20 IKED N#CCc1ccccc1NC(=O)c1cc2cc(Br)cc(Br)c2o1 576904534 VTBCHZGXXJNQTG-UHFFFAOYSA-N 434.087 5.276 30 20 IKED COc1ccc([C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)c2ccccc2)cc1 603835813 HDRGXNIWKARDBW-AREMUKBSSA-N 438.483 5.258 30 20 IKED C[C@H](Oc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cn1)c1ccccc1 603898082 WLKICHSLHZZSSX-HNNXBMFYSA-N 441.409 5.287 30 20 IKED COc1ccccc1[C@@H](C)N(C)C(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCC2 603904779 SMFFNJRPGNCHFY-MRXNPFEDSA-N 447.560 5.022 30 20 IKED COc1ccc(S[C@@H](C)C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1 603957690 BRIJVEXKIYCDEF-SFHVURJKSA-N 434.536 5.728 30 20 IKED C=CCn1c(SCC(=O)N2CCC[C@@H](C)[C@H]2C)nnc1-c1ccc(Cl)cc1Cl 607526193 MDSKMBNLFZUQND-ZIAGYGMSSA-N 439.412 5.177 30 20 IKED CC(C)c1ccc(-c2nnc(S[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)o2)cc1 608930484 ZEQUWIQLBINTSU-INIZCTEOSA-N 438.528 5.427 30 20 IKED CC[C@H](C)c1ccc([C@@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C(C)C)cc1 608996711 FKZNSPIMGYNCMR-DFBJGRDBSA-N 433.600 5.132 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)o2)cc1 609054945 LNTZQDZIGDZGHP-HXUWFJFHSA-N 429.501 5.317 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 609078807 PHJRUEJUHHEJNG-QGZVFWFLSA-N 430.464 5.237 30 20 IKED N#CCn1c(C(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)cc2ccccc21 609167695 QPNFQPJBFHBBKC-UHFFFAOYSA-N 435.405 6.228 30 20 IKED N#Cc1cccc(OC2CCN(Cc3csc(COc4ccc(Cl)cc4)n3)CC2)c1 609195249 JCHRHQUNBXKKIT-UHFFFAOYSA-N 439.968 5.291 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(Oc4cccc(F)c4)cc3)CC2)c1 609207392 VYCBZHHGTALDBF-UHFFFAOYSA-N 431.467 5.565 30 20 IKED CC(C)(C)c1noc2ncc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cc12 609378410 KWFCEEJRDHWSMN-UHFFFAOYSA-N 448.470 5.797 30 20 IKED CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609427123 QIVIJWXULKOFSP-QHCPKHFHSA-N 447.922 5.397 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 609435137 RQLAIIPNONHQON-INIZCTEOSA-N 446.979 5.223 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(CCc1ccccc1)Cc1ccncc1 609436580 AXDJIWOYIWMTNA-HXUWFJFHSA-N 430.577 5.753 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)cc1 609514382 VEWSNYASBWCXFR-DEOSSOPVSA-N 440.499 5.293 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1N[C@H]1CCN(c2ccccc2Cl)C1=O 609543835 WHCROWYFTDXEFN-HNNXBMFYSA-N 439.890 5.582 30 20 IKED C[C@@H]1CN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C[C@@H](c2ccccc2)O1 609731028 ODMZZHHRSKIVGW-OSPHWJPCSA-N 432.907 5.606 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)[C@@H](C)Oc2ccccc2C#N)c1C 609795443 XSJHIUREUNKDOI-CQSZACIVSA-N 429.307 5.074 30 20 IKED N#CCCCOc1cccc(NC(=O)c2csc(-c3ccc(Br)s3)n2)c1 609968544 PBGKWONTDYQMCE-UHFFFAOYSA-N 448.367 5.569 30 20 IKED CN1CCC[C@H](CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@H]1c1cccs1 610180522 DTHSVGVSIVJRFG-RDGATRHJSA-N 445.588 5.012 30 20 IKED CC(C)c1ccc(Nc2nnc(SCc3nnc(-c4ccc(C#N)cc4)o3)s2)cc1 610218917 BLTFWFYHDGYJQU-UHFFFAOYSA-N 434.550 5.619 30 20 IKED COc1ccccc1[C@H]1CCCCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 611837589 TUUMVCIQWVFURI-LJQANCHMSA-N 435.915 5.165 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@H]2CCc3ccccc32)nnc1-c1ccc(Cl)cc1 614556616 BKBUVCUUHMMBSJ-FQEVSTJZSA-N 438.984 5.023 30 20 IKED O=C(NCCCSc1ccc(F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618547836 FEDDHQDKQLSZAN-VXGBXAGGSA-N 432.405 5.080 30 20 IKED O=C(NCc1ccc(F)cc1C(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618551609 YYRCVPDDCOWAQB-NXEZZACHSA-N 440.281 5.117 30 20 IKED COc1ccc(COCc2cccc(NC(=O)NCc3ccc(C#N)c(Cl)c3)c2)cc1 619787813 YPTZMCNQQZZMLJ-UHFFFAOYSA-N 435.911 5.259 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2cccc(C)c2C)C(C)C)nnc1-c1ccc(F)cc1 639430816 UEDCOXXENZHHIR-OAQYLSRUSA-N 438.572 5.642 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCS[C@H](c2ccccc2)C1 669816654 LXUFFALHTNDSES-VABKMULXSA-N 432.593 5.004 30 20 IKED CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 682444867 YEYJLYUSTQWNGS-ZDCRXTMVSA-N 428.339 5.268 30 20 IKED Cc1ccc(-c2nn(Cc3ccccc3)cc2C=Nn2cnnc2-c2ccccc2)cc1C 725855942 JPJMAXYACRNGDX-UHFFFAOYSA-N 432.531 5.356 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 728181589 QMNXQPBNTXGMIS-UHFFFAOYSA-N 448.547 5.431 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)OCc2nnc(-c3ccccc3Cl)o2)cc1 730179484 KIWWAEYBVABYKD-UHFFFAOYSA-N 449.825 5.550 30 20 IKED CCc1cccc2c(C=Nn3c(S)nnc3COc3c(Cl)cccc3Cl)c[nH]c12 730583952 OARTYXXRCVGVMD-UHFFFAOYSA-N 446.363 5.379 30 20 IKED C/C(=C/C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1Cl 731081076 VMPVTDDVOKRBHJ-DFSFMLJYSA-N 428.941 5.177 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 731288585 XKZHKPNWZQGJFO-HSALFYBXSA-N 432.907 5.261 30 20 IKED CCCOc1nc2ccccc2cc1/C=C/C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12 731768652 PCKPKCFETKHXHG-WOOPDLCSSA-N 449.510 5.538 30 20 IKED Cc1ccc(F)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 732377166 BKVDUSIMLKFGOL-QGZVFWFLSA-N 432.451 5.177 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2ccccc2OCc2ccccc2C)ccc1OC 733232147 OCBDPHICWGZTTE-JOCHJYFZSA-N 444.531 5.194 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccncc3)c(Cl)c2)cc1 734080058 ISZBFEDVXRMFEY-HRAATJIYSA-N 447.922 6.002 30 20 IKED COc1ccc2[nH]cc(C(=O)/C=C/c3cn(Cc4ccccc4)nc3-c3cccnc3)c2c1 734306984 KGTZJHOOLXHAJB-FMIVXFBMSA-N 434.499 5.379 30 20 IKED COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3c[nH]c4ccc(OC)cc34)c2)cc1 734308345 YYUQHNYRSKGTHD-MLPAPPSSSA-N 426.472 5.334 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(F)c(Cl)c1)[n+]1ccc(C(CC)CC)cc1 736273949 HTGJEOCIRVTWNF-UHFFFAOYSA-O 434.000 6.047 30 20 IKED N#C[C@H](C(=O)c1cccc(-n2cccn2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 737322363 DXOZOZFQNYKSBG-CQSZACIVSA-N 440.315 5.188 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)N[C@@H]1CCOc2ccccc21 741490241 RZKKLSYTGQKUNR-HSZRJFAPSA-N 429.545 5.256 30 20 IKED O=C(/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc2c(c1)COC2 742436090 FZPLGXDOVNBBJE-WTKPLQERSA-N 438.310 6.172 30 20 IKED O=C(/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc2c(c1)COC2 742436191 GOENZJPVSDHQPL-DAXSKMNVSA-N 440.249 5.544 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 743093680 XJVGBLOTTMOYMV-SANMLTNESA-N 439.559 6.414 30 20 IKED CCc1ccc(-c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)o2)cc1 744027284 OUTAXKFRIKHJBU-SFHVURJKSA-N 440.471 5.785 30 20 IKED N#Cc1ccccc1CSCCNC(=O)Nc1ccc(N2CCc3sccc3C2)cc1 748993264 BZTOVPLIZMLSNP-UHFFFAOYSA-N 448.617 5.237 30 20 IKED C=CC[C@H](NC(=O)C(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1)c1ccncc1 749724883 JBSSPOICRDZWJE-FQEVSTJZSA-N 437.952 5.258 30 20 IKED CCn1nc(C)c(C(=O)/C=C\c2cccc(/C=C/C(=O)c3c(C)nn(CC)c3C)c2)c1C 750914566 XKYYLBJQSYXQBD-PMJBJKLVSA-N 430.552 5.145 30 20 IKED COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)Nc2ccccc2O[C@H](C)C#N)c1 752807036 RMOCCPQMGHHPSS-FRPAHBMMSA-N 441.531 5.749 30 20 IKED N#Cc1ccc(NC(=S)N(Cc2ccccc2)C[C@@H](O)c2cccs2)cc1Cl 755733000 PLECHHMUNDNEAV-LJQANCHMSA-N 427.982 5.206 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)cc1 758332664 FUJGMTOPWBPIRV-HSZRJFAPSA-N 440.568 6.027 30 20 IKED Sc1nnc(-c2ccccc2Cl)n1N=Cc1ccc2ccc(Br)cc2n1 771555558 NBNWDAARBCNCPG-UHFFFAOYSA-N 444.745 5.080 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C(C)(C)C(F)(F)F)cc2)cc1Cl 774052940 NDGCJKHIHFCVKB-HNNXBMFYSA-N 438.833 5.150 30 20 IKED C=CCC[C@@H](C(=O)OCc1csc(N(C(C)=O)c2ccc(F)cc2)n1)c1ccccc1 778553398 FPJGLTWRIZHCBG-JOCHJYFZSA-N 438.524 5.760 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(OCc4ccccc4)ccn3)n2)cc1 779194199 LEFJDPCQDIIQRC-NRFANRHFSA-N 441.512 5.283 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)CSc1ncnc2scc(-c3ccccc3)c12 780153839 YOPLUJHYYNVESX-HNNXBMFYSA-N 446.557 5.380 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)COc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 780382147 VHVZDHDBLJGSPU-AWEZNQCLSA-N 441.331 5.164 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)Nc2ccccc2O[C@H](C)C#N)nc1-c1ccccc1 780674867 RMPVTDYJMBKHKM-NQIIRXRSSA-N 444.535 6.125 30 20 IKED O=C(c1ccc(OC(F)(F)Cl)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 782767867 XUKDZCNMEUCACD-NXEZZACHSA-N 425.703 5.057 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)N(CC#N)c3ccccc3)cs2)cc1 783940637 PFNILYGZWJSKGU-UHFFFAOYSA-N 448.548 5.251 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Oc3ccc(Sc4ccncc4)cc3)CC2)c(F)c1 796934383 ROXLNNNHFYFFMN-UHFFFAOYSA-N 433.508 5.066 30 20 IKED CCCc1ccc(/C(O)=C(/C(=S)N=C2C=CC(=C(O)OCC)C=C2)[n+]2ccccc2)cc1 797796002 NPGBGSKUUMWDGL-UHFFFAOYSA-O 447.580 5.511 30 20 IKED N#Cc1cc(Oc2ccc(NCc3nc4ccc(Br)cc4s3)cc2)ccn1 810166882 QYGNZPPPVHZWJD-UHFFFAOYSA-N 437.322 5.730 30 20 IKED Cc1ccc(-c2csc3nc(/C(Cl)=C/c4cccc(F)c4C#N)nc(O)c23)s1 811688399 OPIXFSRYOSGSHR-AUWJEWJLSA-N 427.913 6.182 30 20 IKED C[C@@H](Cc1cnc2ccccc2n1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 815911163 TULXMOSYOQRBKE-KSSFIOAISA-N 432.936 5.462 30 20 IKED C[C@@H](OC(=O)Cc1coc2ccc3ccccc3c12)C(=O)N(CCC#N)c1ccc(F)cc1 854944576 QJNNNCUOXNSBHZ-QGZVFWFLSA-N 444.462 5.146 30 20 IKED C=CCc1ccc(OCc2nc(-c3cccc(NC(=O)OC(C)(C)C)c3)no2)c(OC)c1 904632782 ZBWNXVHJJPHDMI-UHFFFAOYSA-N 437.496 5.400 30 20 IKED CCc1ccc([C@@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C(C)C)cc1 915734139 GQXNAPWKARKUDA-FTJBHMTQSA-N 439.559 5.356 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCCCOc3ccccc3F)c2)cc1 916222787 KJZRWSZEPVKSBK-UHFFFAOYSA-N 433.483 5.061 30 20 IKED N#C[C@@H](C(=O)CCc1ccc(-c2ccccc2)o1)c1nc(O)c2c3c(sc2n1)CCCC3 916845661 BDFBUKAUWKQVHB-SFHVURJKSA-N 443.528 5.345 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 916903619 UYKCBLTYHUASEN-SCLBCKFNSA-N 449.938 5.224 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2nc3cc(F)c(F)cc3[nH]2)cs1 917546277 ROJADZDSSHDHRF-UHFFFAOYSA-N 446.870 5.082 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CSc3ccc(F)cc3C2=O)cs1 917559242 GMOZZZRRTPSKKE-JYRVWZFOSA-N 428.485 5.478 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)c(OC)c1 918037841 XUKSLDVNRMGOSU-UHFFFAOYSA-N 429.492 5.401 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 919895600 PBVFMZRXOBJEAY-UHFFFAOYSA-N 436.559 5.010 30 20 IKED C[C@H](OC(=O)c1ccccc1-c1ccccc1C#N)C(=O)Nc1ncc(Cl)cc1Cl 921182693 QUOSQGXCTDZHGJ-ZDUSSCGKSA-N 440.286 5.111 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)C4CCN(c5ccccc5)CC4)CCC3)cc2)C1 1785804579 MFMOIMYYSROYPD-UHFFFAOYSA-N 443.591 5.003 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)CC[C@H]4CNc5ccccc5C4)cc3)CCC2)C1 1788066696 TZBLFTZSBZFTHP-HXUWFJFHSA-N 443.591 5.151 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](c3ccccc3)C(C)C)CCC2)cc1 1790564302 WYJIYFNKMOPTCZ-GBXCKJPGSA-N 449.595 5.361 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccc4[nH]c(C)cc4c3)cc2)CCC1 1790989611 LBEIPRIBRWDZTQ-UHFFFAOYSA-N 437.490 5.435 30 20 IKED Cc1ccccc1-c1ncccc1C(=O)NC1(c2ccc(NC(=O)[C@@H](C)S)cc2)CCC1 1791573624 DBIFTFFMJGEUGI-GOSISDBHSA-N 445.588 5.123 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ccncc23)[nH]n1 1814443934 JSJPHHFBYOCZQH-JOCHJYFZSA-N 445.567 5.256 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](CCC)n2cccc2)n[nH]1 1818059234 GFMGKIDQLMDSQF-CEMLEFRQSA-N 437.588 5.013 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3scnc3c2)[nH]n1 1819307227 QHWMYIMETHAIHN-PXNSSMCTSA-N 449.580 5.094 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2c[nH]c3cc(C)ccc23)n[nH]1 1823564939 CLKFTFHTEPRSRH-WMUDEYSISA-N 445.567 5.117 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1 1824873162 XCOXCCINMIDZTH-IBGZPJMESA-N 430.555 5.331 30 20 IKED CC(C)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828906792 ICFDBUYPKQKYKY-QHCPKHFHSA-N 432.725 5.093 30 20 IKED CSCc1c(C(=O)OCC(=O)N(CCC#N)c2cccc(Cl)c2)oc2ccccc12 9786482 LFWYTZHVBQVGEA-UHFFFAOYSA-N 442.924 5.053 30 20 IKED CCCn1c(S[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1cccc(C)c1 16860002 JTSBUKMCLHHFQN-HNNXBMFYSA-N 439.972 5.308 30 20 IKED CCCN/C(S)=C(/C(=O)c1ccc(Br)cc1)[n+]1ccc(C(CC)CC)cc1 22804810 UZKMFXLWUFRWOH-UHFFFAOYSA-O 448.450 5.579 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)cc1 32164384 QXKDVRJXBKEFPB-UHFFFAOYSA-N 435.483 5.922 30 20 IKED COc1ccc(C(C)(C)CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 58428430 VWHPUDJXIDEJCB-UHFFFAOYSA-N 443.547 5.440 30 20 IKED C/C=C/c1ccc(OCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c(OC)c1 106115847 HCGZUVRSBSAJEY-GQCTYLIASA-N 429.476 5.113 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)cc1OC 108378037 OKJBUDAZWJWGHG-PEZBUJJGSA-N 442.515 5.473 30 20 IKED Cc1ccnc(Oc2cc(NC(=O)c3ccc(COc4ccccc4C#N)o3)ccc2C)c1 303971605 SVTJENOLTJBLKH-UHFFFAOYSA-N 439.471 5.787 30 20 IKED CCSc1cc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)ccn1 429113045 ISQDXLKSMKCGCJ-UHFFFAOYSA-N 432.549 5.160 30 20 IKED C[C@H](c1ccc(-c2cccc(C#N)c2)cc1)N1C(=O)CN(Cc2ccc(F)c(F)c2)C1=O 432068020 DBXRSASXLPSCAN-MRXNPFEDSA-N 431.442 5.029 30 20 IKED C=C(C)COc1cc(CNc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)ccc1OC 436419734 ZSNRKJISTYYFAW-UHFFFAOYSA-N 434.458 5.104 30 20 IKED C=CCc1cc(/C=C(/CC(=O)O)c2nc3cc(C(F)(F)F)ccc3s2)cc(OC)c1O 436853669 RNGDBFVBSAWKFA-ZSOIEALJSA-N 449.450 5.773 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)N[C@H](CCC#N)c2ccccc2)cc1 438861381 RVHIYRRPXDXORN-NBGIEHNGSA-N 427.548 6.110 30 20 IKED Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 438964802 QRWJXLPHKNUPDO-FQEVSTJZSA-N 435.867 5.130 30 20 IKED Cc1ccncc1N1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 439348967 LJYHGXUWCRQNGW-JOCHJYFZSA-N 445.954 5.053 30 20 IKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NCC3CCC(C#N)CC3)cc12 441142581 GKONIVJKNNYXNO-UHFFFAOYSA-N 426.973 5.168 30 20 IKED C=CCN(C(=O)Nc1cc(Cl)c(C)cc1Cl)[C@H](C)c1cccc(-n2cnnn2)c1 443949441 WZNLZWOAQMPSBJ-CQSZACIVSA-N 431.327 5.059 30 20 IKED N#CCCCn1cc(C(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)c2ccccc21 444124884 IJHBDEAVRBKMME-UHFFFAOYSA-N 440.522 5.364 30 20 IKED C=CCn1c(SCC(=O)Nc2cc3[nH]ccc3cc2C)nnc1-c1ccc(Cl)cc1 444444898 BNBGFCYIENDYSZ-UHFFFAOYSA-N 437.956 5.305 30 20 IKED CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 460117386 RXRNFXJQZAEMKE-JOCHJYFZSA-N 439.968 5.221 30 20 IKED CC(=O)CCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)cc1 460327850 HQFRTBHTPDIZIP-UHFFFAOYSA-N 446.934 5.345 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)cc1 460745908 KZTXCIWKOSTKRX-UHFFFAOYSA-N 449.510 5.558 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)[C@@H](C)c3cccc(C#N)c3)C2)n1 462331076 IPEZSUHUNPJFAE-FXAWDEMLSA-N 431.561 5.200 30 20 IKED N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1cc(C(F)(F)F)ccn1 464400758 ARCPRKRSVPQADU-QGZVFWFLSA-N 443.406 5.650 30 20 IKED C=CCN(CCc1ccco1)C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1C 467279626 DSLYTCFWDHAGDC-UHFFFAOYSA-N 437.927 5.756 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCCc3sccc32)cc1Cl 467876877 PIHRZBHJNDKRCK-PZJWPPBQSA-N 449.963 5.189 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CCc3nnc(-c4ccc(Cl)cc4)o3)cc2)c1 469291942 VIMVVDRIYQXAAL-UHFFFAOYSA-N 444.878 5.625 30 20 IKED C[C@H](CN(C)C(=O)Nc1ncccc1OCCCC#N)Oc1ccc(Cl)c(Cl)c1 470506507 GPKPLIQPMFGGQT-CQSZACIVSA-N 437.327 5.002 30 20 IKED C[C@]1(CCc2ccccc2)CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 470538929 UGMVTIJGEHENAK-MHZLTWQESA-N 444.579 5.146 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@]2(C1)OCc1ccccc12 473654125 LOYROVJPFNBMNH-SANMLTNESA-N 425.488 5.322 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](CO)Cc1ccccc1C(F)(F)F 475586675 XMMQAHGMNYZRIC-QGZVFWFLSA-N 434.502 5.530 30 20 IKED N#CC[C@H](CC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 475753018 AJQGDRQXLAKKIR-LJQANCHMSA-N 430.379 5.162 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc2sc(N3CCCC3)nc2s1 475774051 RMIBLZHXIGOTTC-ZDUSSCGKSA-N 428.608 5.605 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3csc(-c4ccco4)n3)c2)cc1 478228832 FTBHZJDHKDMWPU-UHFFFAOYSA-N 444.516 5.370 30 20 IKED CCOc1ccc(-n2c(SCc3ccc(C#N)c(F)c3)nnc2-c2ccccn2)cc1 478715098 HNYWCFOMNJIVEU-UHFFFAOYSA-N 431.496 5.031 30 20 IKED CCN(CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)Nc1ccccc1C(F)(F)F 478970571 DQZLPVUHVOPEGK-UHFFFAOYSA-N 428.376 5.036 30 20 IKED Cc1nn(-c2ccc(C(=O)N(C)c3cc(Cl)ccc3C#N)cc2)c(C)c1Br 479580278 WGTKZOGCHUHOHX-UHFFFAOYSA-N 443.732 5.053 30 20 IKED C=CCn1c(SCc2nc(-c3ccc(F)c(C)c3)no2)nnc1-c1ccc(F)cc1 481405562 UJVLUHGGAXZGLU-UHFFFAOYSA-N 425.464 5.060 30 20 IKED Cc1ccc2c(C3=CCN(C(=O)CSc4nc(C)c(C)c(C)c4C#N)CC3)c[nH]c2c1 484268241 RXPPIDSWHGZMJT-UHFFFAOYSA-N 430.577 5.076 30 20 IKED O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1cnn(-c2ccccc2F)c1C(F)(F)F 485591662 HQRAEYCTKUKTCM-AWEZNQCLSA-N 445.338 5.106 30 20 IKED Cc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)C2)cc1 488383566 FTEMBVPGICDYFN-OXJNMPFZSA-N 449.605 5.420 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)Nc1ccc(C)cc1C 489658686 CSIGSNMCIOJFLS-IBGZPJMESA-N 436.581 5.088 30 20 IKED N#Cc1cccc(CN[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)c1 489742507 QHYZJWGGMWLVIE-OAQYLSRUSA-N 443.856 5.700 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3cccc4ccccc34)o2)cc1 489815768 YVIDXUYIRRUQBH-KRWDZBQOSA-N 445.544 5.424 30 20 IKED N#C[C@H](C(=O)c1cc2ccccc2n1CC(F)(F)F)c1nc(-c2ccncc2)cs1 490777415 QRENZOXBHFDEDX-OAHLLOKOSA-N 426.423 5.212 30 20 IKED N#Cc1ccc(Br)c(CN2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1 492529068 BNPIQPQZZZZERY-LBPRGKRZSA-N 430.293 5.176 30 20 IKED Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)cc1 494110582 OPEVWGOJAYKQSO-QHCPKHFHSA-N 428.536 5.668 30 20 IKED CCc1sc(=O)n(CC(=O)Nc2ccccc2SC[C@H](C)C#N)c1-c1ccccc1 498877338 SKWJCCPBDIRXJR-MRXNPFEDSA-N 437.590 5.030 30 20 IKED CC1CCN(CCCCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 502804412 DGKBOIZMAGYUPF-QHCPKHFHSA-N 439.003 5.629 30 20 IKED N#C[C@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc(Cl)c(Cl)c1 505960405 OKFDMNARGFXAOB-AWEZNQCLSA-N 441.196 5.057 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccccc1Oc1ccccc1 510324556 PPLAMGCZIAIFBY-FQEVSTJZSA-N 429.520 5.270 30 20 IKED CCN(Cc1ccc(OC)c(OC)c1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 510663214 FNEDXKOQCSLACV-UHFFFAOYSA-N 431.492 5.422 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(Cn2cccn2)cc1 510736736 OLSVYGCDRQHDAM-UHFFFAOYSA-N 437.503 5.226 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCCCC[C@@H]2c2ccccc2)cc1 511356008 TWRMRWUWFWQMGY-HHHXNRCGSA-N 439.559 6.481 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1 511631824 WUNJEQPWJDGFJT-UHFFFAOYSA-N 432.907 5.691 30 20 IKED CCN(CC)Cc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 516385276 HMOYKLPXIZWMBD-UHFFFAOYSA-N 429.589 5.945 30 20 IKED COc1cc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1OC1CCCC1 517474779 VLMZJCQDTBQXHV-QGZVFWFLSA-N 439.581 5.590 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 519086897 FEVSPWPJJPSUGT-CYBMUJFWSA-N 441.990 6.447 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1Cl 519386716 PIZMRVFVANROIX-NRFANRHFSA-N 444.878 5.497 30 20 IKED Cc1ccc(CN(CCc2ccccc2)C(=O)Nc2ccccc2SC[C@@H](C)C#N)s1 519451384 CELSNLLAJSQHRH-IBGZPJMESA-N 449.645 6.585 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 519515382 GBBNDBWCQKYPFP-CQSZACIVSA-N 426.929 5.356 30 20 IKED CCCC[C@H](CC)COCc1cccc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 521324687 HRDMRXMPTHEXTA-NRFANRHFSA-N 449.599 5.040 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCc2csc(-c3ccc4c(c3)OCO4)n2)n1 522479271 NQNMYTKGUHEZDH-UHFFFAOYSA-N 435.452 5.425 30 20 IKED CCN(CC)C(=O)[C@H](Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1 522546215 CJOKGXWDSFHDRP-AREMUKBSSA-N 427.548 5.353 30 20 IKED COc1cc(CSCC(=O)N(C)C2CCCCC2)ccc1OCc1cccc(C#N)c1 522628436 JFRIYDGYWGMUTQ-UHFFFAOYSA-N 438.593 5.170 30 20 IKED CC(C)Cn1ncc2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cnc21 522715233 UCQSYVDIQDLGIZ-QFIPXVFZSA-N 443.938 5.648 30 20 IKED Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N(C)c3cccc(C#N)c3)c12 523103079 QWICGNBYHHTQFO-UHFFFAOYSA-N 436.393 5.365 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccnc(Oc4ccccc4)c3)c2)c1 523337056 XQUJVVMLHUFQCW-UHFFFAOYSA-N 434.455 5.250 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl 525053922 PUAOTTQZVXZYEV-CQSZACIVSA-N 444.988 5.764 30 20 IKED C[C@@](C#N)(CCc1ccccc1)NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 532687475 WNSKVUYKYJXFJF-VWLOTQADSA-N 442.544 5.013 30 20 IKED CC(C)Cn1ncc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1C(F)F 534736448 CAGDHAKHDXSSEI-UHFFFAOYSA-N 438.478 5.374 30 20 IKED CC(C)Cn1ncc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1C(F)F 534757192 CGAGKWHNZGHHHH-UHFFFAOYSA-N 446.445 5.754 30 20 IKED CCN(C(=O)Cn1c(-c2scnc2C)nc2ccccc21)c1ccc(C#N)c(Cl)c1 538073595 FIWLBMUKXAXRNW-UHFFFAOYSA-N 435.940 5.046 30 20 IKED C[S@](=O)c1ccc(NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1F 539458200 DFJYZZPRWNZESV-MMEWPQADSA-N 442.356 5.007 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)c1ccccn1 540947298 REZQBHVIVHUWGU-LJQANCHMSA-N 428.289 5.549 30 20 IKED Cc1cc(C)cc(OCc2noc(CN[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)n2)c1 541087201 YUYUJHDEAKWCIE-HXUWFJFHSA-N 438.531 5.655 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)N(C)Cc1ccc(C#N)cc1 542390923 SURQAMKZMNLQLL-UHFFFAOYSA-N 430.508 5.946 30 20 IKED CN(C(=O)c1cccc(OCc2ccccc2C#N)c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 543509245 WUMCQVFFPTVKOV-AOYPEHQESA-N 444.506 5.269 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cccc(COc2ccccc2C#N)c1 553450707 LEWXDSQLJZEPFD-UHFFFAOYSA-N 428.536 5.133 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2CC)nnc1-c1ccc(Cl)cc1 553804528 OOVLHUDPNRKXFX-OAHLLOKOSA-N 426.973 5.466 30 20 IKED N#Cc1ccc(-c2nnc(N3CC[C@@H](c4ccc(F)cc4)C3)n2Cc2cccs2)cc1 555441915 XFBJSERCNGIKKH-HXUWFJFHSA-N 429.524 5.060 30 20 IKED CC(C)n1c(-c2ccc(Cl)cc2Cl)nnc1S(=O)(=O)CCCCC(C)(C)C#N 556072851 JJLZIHINEFBFIS-UHFFFAOYSA-N 443.400 5.327 30 20 IKED C[C@H](C(=O)Nc1ccccc1C#N)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 556508425 NRRGNXYRMGDBQF-GFCCVEGCSA-N 429.364 5.055 30 20 IKED C=C(C)Cn1c(C2CCCC2)nnc1N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 559005655 RWSCHJFXTICXAM-UHFFFAOYSA-N 432.490 5.028 30 20 IKED N#CCCCOc1cccc(CNc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)c1 559348190 YOLNYXRPYHQISK-UHFFFAOYSA-N 425.532 5.113 30 20 IKED CCO[C@H](c1noc(-c2ccc(C(F)(F)F)cn2)n1)c1ccc(F)cc1C(F)(F)F 561933383 IJVNGEITNFYNPI-AWEZNQCLSA-N 435.299 5.434 30 20 IKED COc1ccc(/C=C2/CCn3c2nc2sc(C)c(-c4ccccc4)c2c3=O)cc1C#N 562246704 NKJOWKOTZJKFME-PDGQHHTCSA-N 425.513 5.258 30 20 IKED CC[C@@H](NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1ccc(OC)cc1 569147316 WHIQRLDBHFSLGN-OAQYLSRUSA-N 425.960 5.094 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)[C@H](C#N)c1nc2ccccc2s1 570001000 KHDWRWJMPPKKEE-AWEZNQCLSA-N 427.407 5.769 30 20 IKED C=CC1CCN(c2nnc([C@@H](C)Oc3ccc4ccccc4c3)n2C[C@@H]2CCOC2)CC1 570945575 XPMKAXVZTCGQGU-CTNGQTDRSA-N 432.568 5.010 30 20 IKED N#C[C@H](NC(=O)c1nc2ccccc2cc1Br)c1cccc(Cl)c1Cl 572400501 LLWSLIVQMSLKFZ-HNNXBMFYSA-N 435.108 5.299 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC2(C1)Oc1ccccc1O2 575213929 POAMNBNJOODBEN-UHFFFAOYSA-N 427.460 5.064 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)cc2)ccn1 579416788 PLDKUPYIQDGTFF-UHFFFAOYSA-N 440.484 5.312 30 20 IKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 589365563 BVLGKXGLTYYNDI-NLFFAJNJSA-N 442.519 5.377 30 20 IKED CCSc1ccccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 603758595 SSLXLACOJHWKAR-UHFFFAOYSA-N 447.507 5.989 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NCCc2cccc(Cl)c2Cl)n1 603905353 PJMRUCNHSMLRQU-UHFFFAOYSA-N 448.297 5.038 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 603934540 HDYUQPNIBZZJLN-NRFANRHFSA-N 448.954 5.268 30 20 IKED N#C[C@H](C(=O)c1csc(Cc2ccccc2F)n1)c1nc2cc(Cl)ccc2s1 605257529 KRGSNSOMTUWUQL-CYBMUJFWSA-N 427.913 5.626 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(Cl)c2SCC(F)F)cc1 605940643 WGKSXGCMBFLGEN-UHFFFAOYSA-N 440.903 5.649 30 20 IKED Cc1cc(-c2cc(C(=O)N(C)c3ccc(C#N)cc3F)c3cnn(C(C)C)c3n2)c(C)o1 608797962 CLVHOLMZFKHFIC-UHFFFAOYSA-N 431.471 5.176 30 20 IKED Cc1ccc(Sc2ccc(C(=O)Nc3ncccc3OCCCC#N)cc2[N+](=O)[O-])cc1 608883333 MLLYDTPMOOUFLS-UHFFFAOYSA-N 448.504 5.384 30 20 IKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1cccc(C(F)(F)F)c1 608923309 GGEDUHNXDYCOBB-QGZVFWFLSA-N 437.849 5.073 30 20 IKED COc1ccc(COCCCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 608995468 SFROGPJSTCPYMH-UHFFFAOYSA-N 445.519 5.396 30 20 IKED Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)C2)cc1 609177271 NQOJVCJKNXILIY-QFIPXVFZSA-N 439.515 5.150 30 20 IKED CCCOc1ccc([C@@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1OC 609398640 HJRARBYWNHHHEU-DLBZAZTESA-N 427.570 5.618 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 609435138 RQLAIIPNONHQON-MRXNPFEDSA-N 446.979 5.223 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1(c2ccccc2)CCCCCC1 609439473 QHSGYFGNHQQLKG-HXUWFJFHSA-N 449.620 5.428 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1)c1ccccc1 609459283 BVXLYWPSYXCEOC-UHFFFAOYSA-N 448.910 5.193 30 20 IKED Cc1ccccc1CN1CCCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 609515526 FPKHQIPBOQVOEB-UHFFFAOYSA-N 439.559 5.202 30 20 IKED COc1ccccc1[C@H]1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 610016736 PUTPCMAJJHGRCU-QFIPXVFZSA-N 441.531 5.362 30 20 IKED CC(C)N(CCc1nccs1)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 611087163 NEJWARBYXJLHCO-UHFFFAOYSA-N 425.941 5.554 30 20 IKED N#Cc1ccc(N2CCC(NC(=O)c3ccc(Sc4ccc(Cl)cc4)cc3)CC2)nc1 611341175 BDRHZLJMBXLERM-UHFFFAOYSA-N 448.979 5.157 30 20 IKED COc1ccc([C@@H](NC(=O)N2CCC[C@@](C)(C#N)C2)c2ccc(C(F)(F)F)cc2)cc1 612378761 SBUAOVNVSLKMBJ-UNMCSNQZSA-N 431.458 5.139 30 20 IKED CS(=O)(=O)c1cccc([C@H](NCc2ccc(C#N)c(Cl)c2)c2ccc(Cl)cc2)c1 619754494 BAJNGBQQIHTIET-JOCHJYFZSA-N 445.371 5.148 30 20 IKED C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 642281285 WEBXUEGLOLKAKE-ZNZDAUKMSA-N 435.936 5.548 30 20 IKED COc1ccc(C(=O)/C=C/c2c(C(C)C)nn(-c3ccccc3)c2Cl)cc1NC(C)=O 726428293 JMWJNYXKWVKEEJ-VAWYXSNFSA-N 437.927 5.512 30 20 IKED COc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc(C)cc2)cc1 726570829 LVQXLLQUWPWCID-UHFFFAOYSA-O 436.944 5.140 30 20 IKED CC1(C)Cc2cc(C=Nn3c(S)nnc3COc3c(Cl)cccc3Cl)ccc2O1 729143754 QLAMKVRFNGBQFT-UHFFFAOYSA-N 449.363 5.048 30 20 IKED Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1cccnc1C 730959197 OYZXFCHJVFXTMW-NRFANRHFSA-N 432.505 5.225 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)C1CCCCC1 731124322 GJIGAJFOGOFMIK-WZONZLPQSA-N 435.593 5.315 30 20 IKED Cc1ccc(-c2noc([C@H](C)OC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)n2)cc1F 732398208 AMWQXMWETBEQRW-HNNXBMFYSA-N 444.422 5.161 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2cc3sc4ccccc4c3s2)ccc1OC 733232888 ZDUNVUOLNPLTSD-OAHLLOKOSA-N 436.558 5.736 30 20 IKED CN1CCN(c2ccccc2NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 734993499 WXSQHXLNMJPHQQ-UHFFFAOYSA-N 446.938 5.008 30 20 IKED Cc1ccccc1NC(=O)[C@H](C)OC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 735165561 LUVHNDUQFZMPGK-INIZCTEOSA-N 434.879 5.496 30 20 IKED Cc1cc(F)ccc1-c1ccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1F 735399557 NZHKUWCNKXCPBI-QHCPKHFHSA-N 440.449 6.055 30 20 IKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC[C@@H](n3ccnc3)C2)c1=S 738160846 ZBOCSUHDBDSBDO-OAQYLSRUSA-N 436.629 5.056 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)CSCc3coc(-c4ccccc4)n3)c2)s1 739594969 BPWBRGWZKGUFKU-UHFFFAOYSA-N 445.569 5.491 30 20 IKED Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C\c3cnc(-c4ccccc4)[nH]3)cc2)cc1 742429313 LOCBTIOHSDVDNR-SSZFMOIBSA-N 443.528 5.082 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)c2cc(OC)c(OC(F)F)c(OC)c2)c1 742659887 RHATYFHLVSGBNC-UHFFFAOYSA-N 443.471 5.195 30 20 IKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCCC2)c1 743523909 FGHXPPIADVFHSO-HXUWFJFHSA-N 443.519 5.176 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(Oc2ccccc2)ccn1 745763646 VWLJZGOHBQVRTB-KRWDZBQOSA-N 447.516 5.064 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2cccc(Br)c2)cs1 745988006 NHKJRJHHFWYMEM-UHFFFAOYSA-N 449.761 5.690 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Br)nc1 746518827 NHATWXOEHGVNBZ-UHFFFAOYSA-N 430.249 5.121 30 20 IKED Cc1ccc(Sc2ncccc2C(=O)NC2CCN(c3ccccc3C#N)CC2)c(C)c1 747335842 IQFPDXFOLJVHJS-UHFFFAOYSA-N 442.588 5.120 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/Cc3c(F)cc(F)cc3C2=O)cs1 751537162 WFJQOUXGTLOTLK-SDQBBNPISA-N 430.863 5.582 30 20 IKED N#Cc1cc(NC(=O)Nc2ccc(-c3cccc(F)c3)c(F)c2)ccc1N1CCC(O)CC1 753053684 VOBMXMFVHXWDAM-UHFFFAOYSA-N 448.473 5.109 30 20 IKED COc1ccc(C=NOc2ccccc2C(F)(F)F)cc1OCc1ccc([N+](=O)[O-])cc1 754712213 GMBDWEFDDRFDBY-UHFFFAOYSA-N 446.381 5.614 30 20 IKED Sc1nnc(CSc2ccccc2)n1N=Cc1ccc(Br)c(Cl)c1 754972345 FDTCFIUOKFZUJW-UHFFFAOYSA-N 439.791 5.157 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)cc1 758587564 YZLKMMMTOJHNEF-QPPBQGQZSA-N 445.519 5.045 30 20 IKED CC(C)(C)OC(=O)N1CCc2cccc(/C=C\C(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)c21 759122944 ZBEYFGMJKJSWBQ-BENRWUELSA-N 432.520 5.110 30 20 IKED C/C(=C/c1ccc(Cl)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 759206410 OIFMSOQMOKDLKQ-NUTQULCTSA-N 430.891 5.883 30 20 IKED N#Cc1cccc([C@H]2CN(Cc3csc(-c4ccc(Br)cc4)n3)CCO2)c1 761757028 GWNSGKFRBQWZOJ-HXUWFJFHSA-N 440.366 5.018 30 20 IKED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C 764448894 RFKGMKUYKOWMJK-UHFFFAOYSA-N 438.535 5.231 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2F)NC1=O)Nc1ccc(Cl)c(Cl)c1 766283564 MBBHDDSEFXZUCD-AWEZNQCLSA-N 446.718 5.034 30 20 IKED N#C[C@@H](C(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1)c1ccccn1 772550481 IOUUKSJPCUDAHH-OAHLLOKOSA-N 428.673 5.175 30 20 IKED Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12 778299545 XUNQRZMFUPLUHI-KRWDZBQOSA-N 447.466 5.511 30 20 IKED CC(C)(C)Sc1cc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)ccn1 779195471 YNVLUHUHCMMRSR-AWEZNQCLSA-N 438.578 5.051 30 20 IKED N#Cc1cccc(COc2ccc(NCc3cnc(-c4ccccn4)s3)cc2Cl)c1 779595377 INWFCHZAOGBTRP-UHFFFAOYSA-N 432.936 5.921 30 20 IKED C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 780302068 LUPUWZISAIONBS-MSYGRNIXSA-N 437.543 5.195 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N3CCC(c4cc5ccccc5[nH]4)CC3)n2)c(Cl)c1 782662659 NMBZBDZHNSSDJP-UHFFFAOYSA-N 444.926 5.290 30 20 IKED C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 782779419 YGZORHZNRVALFF-SJORKVTESA-N 440.515 5.633 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCC#N)c(C)c1 784125307 IVLHPYAHXLEWGF-JOCHJYFZSA-N 448.592 5.184 30 20 IKED C#CCC1(C(=O)Nc2ccc(OC)c(NC(=O)c3ccc(Cl)cc3F)c2)CCCCC1 788432844 FQWOWKFVPSOMPE-UHFFFAOYSA-N 442.918 5.652 30 20 IKED CC[C@@H](C#N)Oc1cc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)ccc1OC 796304913 LRZXYNMNOQUXSI-VWLOTQADSA-N 441.575 5.229 30 20 IKED N#CC[C@H](CC(=O)Oc1ccc(Oc2ccc(Br)cn2)cc1)c1ccccc1 796985819 NWXKMPKSRXEAJB-QGZVFWFLSA-N 437.293 5.629 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(CCC)cc2)[n+]2ccc(CCC)cc2)c1 797800138 SLMAHLBBQXFYBR-UHFFFAOYSA-O 441.620 6.184 30 20 IKED CN(C)C(=O)Sc1cc(NC(=O)c2ccccc2-c2ccccc2C#N)ccc1Cl 805432144 KGWKCAQCMHCVPP-UHFFFAOYSA-N 435.936 5.905 30 20 IKED C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 809921114 AZSNKYWAMSCKLB-UHFFFAOYSA-N 434.906 5.094 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)ccc1OCc1ccccc1 813218532 XAJFUEGJDREXGX-SFHVURJKSA-N 426.394 5.178 30 20 IKED N#Cc1cc(N[C@@H](c2cccc(Br)c2)C2CCC2)ccc1N1CCC(O)CC1 863995866 IKOSGNMDGNZGHS-HSZRJFAPSA-N 440.385 5.235 30 20 IKED Cc1csc([C@H](C#N)C(=O)COC(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)n1 900058796 FNEFDSYNOVSBCX-DZFYGRHCSA-N 442.949 5.266 30 20 IKED N#Cc1cccc(-c2cc(-c3nc(-c4cccc(Cn5cnc6ccccc65)c4)no3)on2)c1 904490042 PBJKLQBICXLQFU-UHFFFAOYSA-N 444.454 5.328 30 20 IKED C#Cc1cncc(-c2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)c1 904669547 BCZGWCOJJZEXTN-UHFFFAOYSA-N 442.784 5.639 30 20 IKED O=C(C[C@H]1SC(=Nc2ccccc2)N(C2CC2)C1=O)Nc1cccc(Cl)c1Cl 916210497 GUPZVCTXBUPZJR-MRXNPFEDSA-N 434.348 5.116 30 20 IKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc2ccccc2n1 916849538 XSJXDQBFJGWTAZ-KRWDZBQOSA-N 436.298 6.006 30 20 IKED CCOc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccc([C@@H](C)CC)cc3)cs2)cc1 916951598 ZHVGZJQSJNSISC-HRAATJIYSA-N 447.560 5.683 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCC[C@H]2c2ccsc2)c1=S 917454283 AHNMDURETDKTGW-IBGZPJMESA-N 447.029 5.689 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3nc(-c4cccs4)oc3C)n2)cc1 920140840 CHJDWGPVUJNWOT-INIZCTEOSA-N 435.530 5.263 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C(F)(F)F)c4)CCC3)cc2)C1 1785808138 RTLMQUCGNLNKBY-UHFFFAOYSA-N 428.454 5.419 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)nc5ccccc45)cc3)CCC2)C1 1788989253 ZVHBYZCWCCAMNC-UHFFFAOYSA-N 445.950 5.602 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4ccccc34)cc2)CCC1 1789280088 KEWLPCOJRAYZLX-UHFFFAOYSA-N 428.536 5.079 30 20 IKED CC1=CC[C@@H](C(=O)NC2(c3ccc(NC(=O)Cc4ccc(F)c(C#N)c4)cc3)CCC2)CC1 1790520071 BTVXHYRNQMLUFM-HXUWFJFHSA-N 445.538 5.120 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)Cc4cccc(C(F)(F)F)c4)cc3)CCC2)C1 1791185818 DSOLJIAGEQLIIE-UHFFFAOYSA-N 442.481 5.348 30 20 IKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@@H]4c4ccc(Cl)cc4)CCC3)cc2)CCC1 1792230505 VKWYKEPRVXYZGX-YADHBBJMSA-N 447.966 5.271 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C(C)=C/c2ccc(C)o2)[C@H]1c1cccnc1 1802500477 YETNZFIJNJIIBC-DMJRHOSBSA-N 449.595 5.085 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(C)cc2)[C@@H]1c1cccnc1 1802500619 AWQLTRAMEPSGEG-GVXSCFBNSA-N 447.623 5.192 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3sccc3[nH]2)[nH]n1 1814443536 ZKZLNLSUPZHSIQ-GOSISDBHSA-N 439.585 5.251 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)[nH]n1 1821921766 UMTPSQFORBGLHF-XOBRGWDASA-N 439.947 5.063 30 20 IKED Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(C)o1 1825881074 LXXXBVXKMKDPRJ-BVZFJXPGSA-N 447.579 5.071 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3cc[nH]c23)CC1 1828317682 JWDNFPFHCAVXPD-LADGPHEKSA-N 433.596 5.170 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccccc3o2)CC1 1828827977 ASXIQEFFQRERID-DHIUTWEWSA-N 434.580 5.435 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)cc2F)CC1 1830773779 QLRTUTRSICBALQ-CYFREDJKSA-N 444.591 5.058 30 20 IKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 1831566902 YQIXWIZDUMFTIV-QLBJFCOMSA-N 428.661 5.262 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1ccc3c(Cl)cc(C)nc3c1)C2 1844356309 NVARQYGHTXXJAE-UHFFFAOYSA-N 439.987 5.006 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cccc(Cl)c2)cc1 10831245 NMDXOXUYKJCPNP-UHFFFAOYSA-O 436.000 5.730 30 20 IKED CCOc1cc(C#N)ccc1OCc1csc(-c2cc(Br)ccc2OC)n1 16670505 JPNKHGJCCBCDSH-UHFFFAOYSA-N 445.338 5.431 30 20 IKED C=CCn1c(C)nnc1SCC(=O)c1cc(C)n(CCc2ccc(Cl)cc2)c1C 21181521 SLPWQMGXZLCZRU-UHFFFAOYSA-N 428.989 5.062 30 20 IKED Cc1cc2occ(CC(=O)OCC(=O)Nc3ccccc3SCC#N)c2cc1C(C)C 22157092 BLDBEWZWKTWXRX-UHFFFAOYSA-N 436.533 5.205 30 20 IKED N#CCSc1ccccc1NC(=O)COC(=O)c1ccc(CSc2ccccc2)cc1 23941104 HYYOVOYGPSAKKW-UHFFFAOYSA-N 448.569 5.390 30 20 IKED C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 303199317 HDBGPHRGGJMNNU-CQSZACIVSA-N 435.376 5.416 30 20 IKED C[C@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)Nc1ccccc1C(F)(F)F 303365694 RBYMEAXRGCWWTD-HNNXBMFYSA-N 425.410 5.808 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 303374297 UFDIKDMNOPWXIJ-IEBWSBKVSA-N 429.545 5.226 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 303413007 VISUUQSQRCVLRK-INIZCTEOSA-N 434.521 5.105 30 20 IKED COc1ccc(Br)cc1[C@H]1CCCN1C(=O)Nc1ccc(C#N)cc1Cl 426135194 CFMCFKJUDIYPLQ-QGZVFWFLSA-N 434.721 5.352 30 20 IKED CCCc1nc(C)c(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1 428346345 HEUVOOSOLLZHFM-HNNXBMFYSA-N 448.329 6.366 30 20 IKED N#CCCn1ncc(C(=O)Nc2nc3c(C(F)(F)F)cccc3s2)c1-c1ccccc1 428350315 XQYIRCBXFLESIG-UHFFFAOYSA-N 441.438 5.345 30 20 IKED N#CCSc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c1 430602452 LCKPMPVXALCHIM-UHFFFAOYSA-N 448.375 5.100 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)s1 430621479 JYLNYQFNHNGLGC-SFHVURJKSA-N 446.507 5.787 30 20 IKED Cc1ccc(C)c(NC(=O)Cc2nc(CN3CCC[C@@H]3[C@H](C#N)c3ccccc3)cs2)c1 430710703 TYVSOBLKWNUFGE-ISKFKSNPSA-N 444.604 5.213 30 20 IKED CN(Cc1ccccc1CNC(=O)N[C@H](CCCC#N)c1ccccc1)C1CCCCC1 431853444 HZWMPTFFSYAIRI-AREMUKBSSA-N 432.612 5.685 30 20 IKED Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)[C@@H](C#N)c1nc2ccccc2n1C 435778571 SOWJSJADHGWDFR-CYBMUJFWSA-N 425.275 5.334 30 20 IKED COc1cccc(/C=C(/CC(=O)Nc2cc(C#N)ccn2)c2nc3ccccc3s2)c1 436008207 DJNFALHDFNCDRM-WQRHYEAKSA-N 426.501 5.141 30 20 IKED CN(C(=O)c1cccc(COc2ccccc2C#N)c1)c1nc2ccc(Cl)cc2s1 436453718 PHYACVLGMIMZQA-UHFFFAOYSA-N 433.920 5.677 30 20 IKED C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@H](c2ccc(F)cc2)O1 437827458 GWSAOTHHNRZPKU-BXKMTCNYSA-N 431.467 5.484 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(CSc2ccccn2)c1 438138764 WMNNRFOXHAOSGP-DHIUTWEWSA-N 428.561 5.678 30 20 IKED COc1cc(CC2CN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)C2)cc(OC)c1 438680453 ADDIXKUMNOQFQT-UHFFFAOYSA-N 443.503 5.074 30 20 IKED C=CCn1c(Sc2ncnc3sc4ccccc4c23)nnc1-c1ccccc1OC 440652346 MNXQPMKTRKKTRY-UHFFFAOYSA-N 431.546 5.449 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3c3nc4ccc(Cl)cc4[nH]3)cc2)nc1 440731309 CJYHSZFRVMVWMX-NRFANRHFSA-N 443.894 5.253 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(Cc1ccccc1)[C@H](C)C(C)(C)C 441401035 BBRJUPIHVVQQPX-RBUKOAKNSA-N 437.609 5.483 30 20 IKED O=C(CN(CCC(F)(F)F)CC(F)(F)F)Nc1ccc(Cl)cc1C(F)(F)F 447835789 UZXHWDMFMCIOLW-UHFFFAOYSA-N 430.698 5.114 30 20 IKED C=C(C)Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)c1ccc(-c2ccccc2OC)cc1 460776250 WCYOVIVGGCZHBA-YADARESESA-N 432.568 5.579 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N(C)[C@H](C)c1sc(C(C)C)nc1C 460938396 QBNFETFDKBGWHV-LJQANCHMSA-N 439.629 5.657 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(CC(F)(F)F)CC1 460960887 RLDHGUDTZFTDMY-HNNXBMFYSA-N 426.458 5.302 30 20 IKED CC(C)c1ccccc1-n1c(=O)c2ccccc2n2c(SCCC(C)(C)C#N)nnc12 463030774 ADOILESJIVYAKN-UHFFFAOYSA-N 431.565 5.189 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)cc1 463418326 ZCCYJXKSXNMQIH-UHFFFAOYSA-N 426.451 5.596 30 20 IKED CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)n1 467610380 JFOORYWCOBWONW-KRWDZBQOSA-N 449.511 5.131 30 20 IKED C[C@@H](SCCOCC(F)(F)C(F)F)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 468652447 IKYFRRPYBGDBPB-MRVPVSSYSA-N 441.796 5.336 30 20 IKED N#C[C@H]1N(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)CCC[C@@]12CCCCO2 468652522 IRMDHNBBJILJST-RSXGOPAZSA-N 430.504 5.079 30 20 IKED Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1cn(CCCC#N)c2ccccc12 468962101 NIJSNRADRXTNNH-UHFFFAOYSA-N 436.515 5.758 30 20 IKED C=CCC[C@H](NC(=O)N1CC[C@@]2(C1)OCc1ccccc12)c1ccc(C(F)(F)F)cc1 472755412 WMBYARGNDKLETI-GMAHTHKFSA-N 430.470 5.554 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)n1 474428238 QVZAXUNSZIDOKO-GOSISDBHSA-N 431.492 6.218 30 20 IKED Cc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1NC(=O)N(C)C 478703134 PMDCEVFZBNOSLX-UHFFFAOYSA-N 430.533 5.364 30 20 IKED COc1ccc(CN[C@H](c2cc(F)cc(Br)c2)C2CC2)cc1OCCCC#N 479600031 QEOCANIQBBMESB-QFIPXVFZSA-N 447.348 5.520 30 20 IKED C[C@H](Nc1ccc(C(=O)[C@H](C#N)c2nccc3ccccc23)cc1[N+](=O)[O-])c1ccccn1 483230333 PSIPUYOZTIONJI-OXJNMPFZSA-N 437.459 5.201 30 20 IKED CC(C)(C)OCc1cc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)no1 485546466 MSVYUBIUKFIIQR-UHFFFAOYSA-N 435.549 5.084 30 20 IKED Cc1cc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)nc(-c2ccc(Cl)cc2)n1 486572682 QPURIWAKXMXGDE-UHFFFAOYSA-N 434.971 5.430 30 20 IKED N#CCCC[C@H](NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1ccccc1 487417640 FQYMPDTUHOMVOR-LOSJGSFVSA-N 425.532 5.099 30 20 IKED Cc1nc(NC(=O)c2cccc(SCC#N)c2)sc1Cc1ccc(F)c(F)c1F 487606361 OZHHOQJVVNDRAK-UHFFFAOYSA-N 433.480 5.328 30 20 IKED Cc1ccc(Br)cc1-c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)s1 488778565 SAKOIHKUHZZFTQ-QAPCUYQASA-N 425.355 5.020 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccccc1C 488928684 GRIUZZCPVOQYBC-OAHLLOKOSA-N 437.956 5.084 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)nnc1-c1cccs1 489447119 JSKBRRZCCDYZGK-JKSUJKDBSA-N 426.611 5.825 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cccc4ccccc34)o2)cc1 489792609 BBXFUDCAECHBHN-INIZCTEOSA-N 431.517 5.574 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 498897232 DXYLUBRMFUTPRB-KRWDZBQOSA-N 447.926 5.019 30 20 IKED CCc1c(C)nn(-c2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)c2)c1C 500469535 LMGCZETYZCVXFU-OAQYLSRUSA-N 427.533 5.060 30 20 IKED C[C@H]1CCCN(CCCCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 502876890 PBUUJANQGRKTBQ-CVDCTZTESA-N 439.003 5.629 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3c4c(nc5ccccc35)CCC4)n2)cc1 505711299 VNOXOJJBOIAAMC-LJQANCHMSA-N 425.513 5.346 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)cc1Br 509848716 BRJMGPVPXFCWAM-QGZVFWFLSA-N 436.334 5.551 30 20 IKED CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510024355 RQAWIUILYJUDTN-OAQYLSRUSA-N 447.922 5.778 30 20 IKED CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 511554449 MPBMXRCUSOKTBS-INIZCTEOSA-N 438.343 5.559 30 20 IKED C=CCn1c(S[C@@H](C(C)=O)c2ccccc2)nc2scc(-c3cccs3)c2c1=O 511677343 KFTIKDBHOVENBA-IBGZPJMESA-N 438.599 5.795 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)N(C)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 513369224 DEMULAXQZHQQGC-HNNXBMFYSA-N 441.409 5.195 30 20 IKED C=C(C)Cn1c(S[C@@H](C(=O)OC)c2cccc(Cl)c2Cl)nnc1-c1ccncc1 514112784 JQKONMPQZSHJBM-QGZVFWFLSA-N 449.363 5.229 30 20 IKED CC1=NN(c2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cc2)CC1 514575002 UIMKWLQVTJDKGK-HSZRJFAPSA-N 428.923 5.834 30 20 IKED C=CCOc1ccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cc1OC 514960164 LCSOBUAPQVQMOC-UHFFFAOYSA-N 447.969 5.310 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCc3sc(Cl)cc32)cc1 515019380 NLIQQOIYCOWISR-FQEVSTJZSA-N 437.952 5.856 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cc4c(OC(F)F)cccc4[nH]3)c2)cc1 516506858 PALZRXIUCJDATQ-UHFFFAOYSA-N 447.441 5.667 30 20 IKED C=CCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]1c1csc(C)n1 517263943 HBIILPDWUUPWEZ-QGZVFWFLSA-N 430.375 5.000 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cnc(-c3ccccc3F)s2)cc1 517902106 LOBCCSMPVKZGMO-UHFFFAOYSA-N 443.503 5.847 30 20 IKED CCn1cnnc1-c1cccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1 518036344 NGYBAZFCBPSVJJ-UHFFFAOYSA-N 427.439 5.020 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 520194375 RFRRKUKJQKIXEI-UZUQRXQVSA-N 447.535 5.064 30 20 IKED CC(C)c1nc2cc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)ccc2o1 520362880 GWGDUVUXQVPUEY-UHFFFAOYSA-N 427.529 6.367 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2csc(-c3ccccc3)n2)cc1 520693395 QBZNSDJMEUICKU-UHFFFAOYSA-N 441.581 5.904 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccc(Cl)cc3)C3CC3)cc2)c1 521333487 JRGBSMSATXCVFL-QHCPKHFHSA-N 445.906 5.210 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 522072592 VXTIDAIJUGYCIL-KKXNLOMOSA-N 434.565 5.322 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](CO)c3c(F)cccc3F)cc2Cl)cc1 522466254 IFODDCWSNGMITL-IBGZPJMESA-N 443.837 5.137 30 20 IKED CC(C)n1ncc2cc(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)cnc21 522577940 JEQGJWMHUPVOSC-UHFFFAOYSA-N 431.883 5.582 30 20 IKED COc1ccc(-c2nc(NC(=O)c3occc3COc3cccc(C#N)c3)sc2C)cc1 523956597 DOBMKTVWMDRJHW-UHFFFAOYSA-N 445.500 5.423 30 20 IKED Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524114528 DUSXROBWIAOWRA-UHFFFAOYSA-N 445.828 5.765 30 20 IKED Cc1ccc(Oc2ccccc2CNC(=O)C(=O)Nc2ccccc2SCCC#N)cc1 524675918 ZUKLOZPWBBGRJS-UHFFFAOYSA-N 445.544 5.048 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H](c2ccccc2Cl)OC[C@H]1C 533440558 DNHJJSJYJOCLRV-CBGDNZLLSA-N 444.000 5.135 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 538955717 WBMSCOMSDGLFJA-UHFFFAOYSA-N 431.439 5.265 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)CSc3ccc(O)cc3)s2)c(C(F)(F)F)c1 540778595 LTZWOMDHYBLGBX-UHFFFAOYSA-N 449.479 5.061 30 20 IKED C[C@H](N[C@@H](C)c1ccc(-n2cncn2)cc1Cl)c1ccc(-c2cccc(C#N)c2)cc1 541135179 JHEFQYICBDPSFE-ROUUACIJSA-N 427.939 5.871 30 20 IKED C[C@H](NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1noc(-c2ccccc2)n1 541144246 AFBBQIPIXCVTQP-MSOLQXFVSA-N 437.503 5.397 30 20 IKED Cc1nn(C(F)F)c(C)c1CC(=O)N(C)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 542180646 FHOKBXNVWHMBRZ-HNNXBMFYSA-N 443.338 5.218 30 20 IKED N#CCCN(C(=O)CCC(=O)N1CCCCC[C@@H]1/C=C\c1cccs1)c1ccccc1 542181167 XLOWMXKOCRADFF-KCNXZKISSA-N 435.593 5.260 30 20 IKED CC(=O)Nc1ccccc1CNc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 542748951 WSBYVUOEMCXPJW-UHFFFAOYSA-N 430.455 5.195 30 20 IKED C[C@@H](NC(=O)Nc1nnc(CC(F)(F)F)s1)c1ccc(-c2cccc(C#N)c2)cc1 542954742 FFKVOXPZGUADLI-GFCCVEGCSA-N 431.443 5.064 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 543494844 QZYNAVNIDIPHES-UNMCSNQZSA-N 432.520 5.499 30 20 IKED C[C@H](NC(=O)N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)c1ccc(C#N)cc1 548183342 XNFSBZRPSOFJPZ-ZBEGNZNMSA-N 431.336 5.121 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2ccccc2Cn2ccnc2)c1 558098293 DNOXWYXCSCJLQO-UHFFFAOYSA-N 442.906 5.179 30 20 IKED C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N(C)Cc1csc([C@@H](C)OCC)n1 558999163 PLIZHXFSMFFYHU-MRXNPFEDSA-N 446.020 5.289 30 20 IKED CCN(CC)CCOc1cc(NC(=O)c2sc3ccc(C#N)cc3c2C)ccc1OC 559365482 SDQQUFUEIXPMGT-UHFFFAOYSA-N 437.565 5.063 30 20 IKED Cn1cc(Oc2ccccc2C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cn1 576243668 QPJQBIKSZNZVCV-HNNXBMFYSA-N 436.443 5.104 30 20 IKED C=C[C@@](C)(CCOC)c1nc(-c2cccnc2Oc2ccc(C)cc2Br)no1 579406086 VVDBONLULBCZHR-NRFANRHFSA-N 444.329 5.475 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(Cc4ccc(F)cc4)s3)n2)cc1 589244851 SDAWXXOJQHUIMP-SFHVURJKSA-N 444.516 5.358 30 20 IKED N#C[C@@H](C(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1nc2cc(F)ccc2s1 592974143 OJJOZNPDOORXKU-AWEZNQCLSA-N 430.386 5.130 30 20 IKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 603660504 XXWFAMBZDBRVEM-LBPRGKRZSA-N 434.443 5.334 30 20 IKED COc1ccc([C@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1 603745925 CSXZSWRFMXMXFO-DEOSSOPVSA-N 438.531 5.022 30 20 IKED C=CCN(C(=O)C[C@@H](C)c1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 604110729 YLPSYAMNZZAECO-OAHLLOKOSA-N 425.485 5.570 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c2)c1 604691099 CHOSTJZKGZXWOP-FQEVSTJZSA-N 427.460 5.376 30 20 IKED COc1cc2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)[nH]c2cc1OC 605362351 CLIHYVUZONTDER-HNNXBMFYSA-N 437.908 5.452 30 20 IKED C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 606176984 TZICMWRSEWPKMU-SNVBAGLBSA-N 439.327 5.726 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H](c3ccccc3)CC2)cc1 608995441 QAOAYBZLEAPBRG-DEOSSOPVSA-N 439.559 6.133 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N[C@H]3CCc4nc(-c5ccccc5)ncc4C3)c2)cc1 609129567 AEXCOZDJLRHSRW-QHCPKHFHSA-N 446.510 5.095 30 20 IKED C[C@H]1CN(Cc2ccc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)cc2)C[C@H](C)O1 609177163 KPHHAWFTOYKHQT-PMACEKPBSA-N 441.531 5.212 30 20 IKED CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 609504247 HWFZSFKULJHCRV-UHFFFAOYSA-N 426.303 5.715 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)NCc2cccc(OCc3ccccn3)c2)c1 609627664 RFSNOADEFOFGMK-UHFFFAOYSA-N 449.510 5.041 30 20 IKED N#C[C@@H](NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1c(Cl)cccc1Cl 609988435 JUKUVJIQHHSABV-MRXNPFEDSA-N 439.224 5.193 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)Cc1ccc(C#N)cc1 610051986 DTEKVFWIBSLBRP-CYBMUJFWSA-N 440.366 5.173 30 20 IKED C[C@@H](N[C@H]1CCCc2nc(-c3ccccc3Br)sc21)c1cccc(C#N)c1 610830531 YTGDHABMGRPZBZ-KUHUBIRLSA-N 438.394 6.172 30 20 IKED CC(C)Oc1ccc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1C#N 610936518 XLLWZJOBDMCQAX-NHAGDIPZSA-N 437.384 5.376 30 20 IKED Cc1c(C#N)cccc1NC(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 612577252 AVOYUGJQVOLPBQ-MRXNPFEDSA-N 426.236 5.444 30 20 IKED Cc1onc(-c2cccnc2)c1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 671751431 RSXCEFZDYVUGFS-CYBMUJFWSA-N 428.395 5.164 30 20 IKED FC(F)(F)c1ccc(Cn2cc(CN3C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)cn2)cc1 681751508 XVPMESDGEFTARY-GASCZTMLSA-N 445.329 5.123 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(F)c(C(F)(F)F)c(F)c3)n2)cc1 683222197 NDXYASLHKBHPKE-ZDUSSCGKSA-N 438.377 5.606 30 20 IKED COc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)cc1NC(C)=O 726428670 NXRHNZGFJAJXAK-BENRWUELSA-N 448.906 5.455 30 20 IKED N#CCCCOc1cccc(/C=C2\SC(=S)N(c3ccc4ccccc4c3)C2=O)c1 726801677 KDYQWAWKKQBAPQ-JCMHNJIXSA-N 430.554 5.928 30 20 IKED CCc1c(C)sc(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)c1C#N 727790394 GNEYTKWMOMRGEV-UHFFFAOYSA-N 428.513 5.825 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 728062092 DEVJXWUAXCCHDU-MRXNPFEDSA-N 430.895 5.101 30 20 IKED C=CCc1cc(/C=C\C(=O)c2ccc(OC(F)F)cc2OC(F)F)cc(OC)c1O 728156076 AIXPMAPONYNHHQ-YVMONPNESA-N 426.362 5.228 30 20 IKED COc1ccc(-c2nnc(SCc3ccc(OCC#N)cc3)n2-c2ccc(C)cc2)cc1 729241299 UAAZBPNOAAOTMP-UHFFFAOYSA-N 442.544 5.446 30 20 IKED N#C[C@@H](C(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1)c1nc2ccccc2s1 730070775 ALCWANQJWYPRBG-KSFYIVLOSA-N 436.508 6.284 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)cc1 730136514 MNSSLLYNNMOZMV-FGZHOGPDSA-N 432.474 5.021 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccccc2OC(F)F)c1 730550918 OKSDZIJEZVQJHZ-UHFFFAOYSA-N 432.496 5.061 30 20 IKED Cc1cc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc(C)c1OC(F)F 730745745 XSYHYVKEMUOBME-VXGBXAGGSA-N 433.339 5.544 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2ccccc2c(Cl)n1 731069402 NHXAXDKJDNXWIN-AWEZNQCLSA-N 439.924 5.078 30 20 IKED COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Nc1ccccc1S[C@@H](C)CC#N 731340488 PKQGTWSSGQEAGH-ZDUSSCGKSA-N 447.969 5.092 30 20 IKED CCc1nc([C@H]2NC(=O)N(Cc3cccs3)C(c3ccc(C)cc3)=C2C(C)=O)cs1 731431091 QVFBIIXKSYVARH-OAQYLSRUSA-N 437.590 5.342 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccccc1OC(F)(F)F 733080030 AZFVXXISQHSNSU-UHFFFAOYSA-N 441.335 5.292 30 20 IKED CC[C@@H](C#N)Oc1cc(CNc2ncnc3sc(-c4ccccc4)cc23)ccc1OC 733303287 LKCFQQSGQWRAFV-SFHVURJKSA-N 430.533 5.660 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)CCCCc2ccc(Br)cc2)c1 733770587 ISYRNOXQPDBLTQ-FQEVSTJZSA-N 429.358 5.159 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H](Sc2ccccc2F)c2ccccc2)c1 733771139 NNHSLABSOOMWEF-GBXCKJPGSA-N 434.536 5.656 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 733842423 URNXFTGBURLANE-FQEVSTJZSA-N 442.544 5.966 30 20 IKED Cc1sc2ncn(N=Cc3ccc(-c4cccc(F)c4C)o3)c(=O)c2c1-c1ccccc1 734294722 HPAANGBBODQIIY-UHFFFAOYSA-N 443.503 6.023 30 20 IKED COc1cccc([C@@H](C)C(=O)OCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)c1 735134782 LABAZXXMZBCASA-GOSISDBHSA-N 431.488 5.001 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 735209623 YWMSWALZRGKJHZ-OAQYLSRUSA-N 429.863 5.274 30 20 IKED N#CCOc1ccc(Cl)cc1CN1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 735309403 MYBRHXJHENDTOW-UHFFFAOYSA-N 446.938 5.445 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)cc1 735573859 REWKKJBHWJZNPX-UHFFFAOYSA-N 443.479 5.124 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 739550725 KSWQJDPTCANVRL-GMAHTHKFSA-N 449.551 5.078 30 20 IKED C[C@@](O)(CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccs1 740437584 RWSFCFLRFVQAFH-XMSQKQJNSA-N 425.941 5.086 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 743146713 MNDSLKSXCIFBQF-SQNIBIBYSA-N 446.617 5.286 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2nc(C(C)C)n(-c3ccccc3F)n2)cc1 744032578 HFECEBIMTXIKTE-LPHOPBHVSA-N 447.514 5.004 30 20 IKED CCn1c2ccccc2c2cc(C=Nn3c(S)nnc3Cc3ccc(OC)cc3)ccc21 744747031 RACGFQFVUKNEIM-UHFFFAOYSA-N 441.560 5.176 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)n1 747193356 IRGQGGAYAAKYHT-CJNGLKHVSA-N 445.997 6.073 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccnc(OC3CCCCC3)c2)cc1 749421813 AYARXOANCOPAQX-RUZDIDTESA-N 440.547 5.770 30 20 IKED CC[C@H](C)n1c(SCC(=O)[C@H](C#N)c2nc3ccccc3o2)nnc1-c1ccccc1 750396591 BNDVCEGNDFLQKI-RDJZCZTQSA-N 431.521 5.026 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3C[C@H](O)c3cccs3)cc2)cc1 754404076 QYLSVJNDRGBVMQ-REWPJTCUSA-N 432.545 5.335 30 20 IKED CCCOc1c(Br)cc(C=NOc2ccccc2C(F)(F)F)cc1OC 754710762 XPXRSHGIZZTOOU-UHFFFAOYSA-N 432.236 5.678 30 20 IKED Cc1c(C#N)c(NC(=O)CCN[C@@H](C)c2csc3ccccc23)n(Cc2ccco2)c1C 754737502 NHYGHSUQFIVPFG-KRWDZBQOSA-N 446.576 5.512 30 20 IKED C/C(=C\c1ccccc1Cl)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 756516864 XIHUYPAQWKYJGC-UQCBTIDJSA-N 430.891 5.883 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SC[C@H](O)c1ccc(Cl)cc1Cl 759070727 YJTSXPHOKNXWPR-SFHVURJKSA-N 436.364 5.176 30 20 IKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1oc2c(ccc3ccccc32)c1C 759234431 FLFBMRYSZZALNJ-IBGZPJMESA-N 442.471 5.221 30 20 IKED COc1cc(F)c(C(=O)/C=C/c2cccc(OCc3ccccc3C(=O)O)c2)cc1OC 760266275 ZTXLWNNGYBVUCC-ZHACJKMWSA-N 436.435 5.016 30 20 IKED N#Cc1cccc([C@H]2CN(Cn3nc(-c4ccco4)n(C4CCCCC4)c3=S)CCO2)c1 761300390 QSGFFQGVYOTZIV-JOCHJYFZSA-N 449.580 5.082 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)Nc3ccc(OCc4cccc(F)c4)c(F)c3)CCO2)c1 761848274 VNZNUOZXRSHRIQ-DEOSSOPVSA-N 449.457 5.021 30 20 IKED CC1(C)C[C@@H]1C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 764754616 IBMOKVXTJHNHMI-RXMQYKEDSA-N 428.213 5.017 30 20 IKED C=C(Cl)COc1ccc([C@@H](C)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1 764808126 DMLBEBIKVQJCMZ-GFCCVEGCSA-N 445.272 5.384 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 767880904 DQSSZCANSXSLOQ-RDTXWAMCSA-N 436.512 5.439 30 20 IKED COc1cccc([C@@H](C#N)NC(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)c1OC 768157182 UAXUYLRYOPJHLK-HXUWFJFHSA-N 439.471 5.020 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H](C)Oc1cccc2ccccc12 769350235 APSVBFRIAYLPSI-ZWKOTPCHSA-N 448.544 5.183 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(N2C(=O)[C@@H]3c4ccccc4CCN3C2=O)cc1Cl 771814803 AAMSUYVIIKGSRC-GGAORHGYSA-N 427.891 5.061 30 20 IKED O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(N2CCC(O)CC2)cc1 771858222 HVMLWCBUUJXLMN-LZCJLJQNSA-N 443.387 5.581 30 20 IKED C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccccc1O[C@H](C)C#N)OCCO3 780675385 WEQQMGSQCHASTH-MSOLQXFVSA-N 447.535 5.169 30 20 IKED CC(C)(C)OC(=O)NCc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)co1 781450387 HLORXRRXMRUTDZ-CQSZACIVSA-N 431.901 5.057 30 20 IKED Cc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1Br 784498884 LXHNTYFFWXXBPZ-KRWDZBQOSA-N 436.334 5.172 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C[C@H](C)c1c[nH]c2ccccc12 787223850 KLWZITMMYRVDMJ-IRXDYDNUSA-N 435.549 5.095 30 20 IKED O=C(/C=C\c1nccn1CC(F)(F)F)c1ccc(Br)cc1C(F)(F)F 790232437 CCVZSGFJHNUDSX-ARJAWSKDSA-N 427.142 5.123 30 20 IKED CSc1nc(C2CC2)cc(C(=O)O[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)c1C#N 792734720 SQPNHWIPEFARSU-LLVKDONJSA-N 440.912 5.174 30 20 IKED Cc1nc(SC(F)F)sc1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 793076724 LEVXNVRKJMDFDE-UHFFFAOYSA-N 432.477 5.006 30 20 IKED C=CCOc1ccc(/C=C/C(=O)O[C@H](c2nc3ccccc3o2)C(F)(F)F)cc1OC 798242042 VRGFVJKJEFQALM-WAEYIKQSSA-N 433.382 5.261 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)NCC1CCC(C#N)CC1 799390216 UAXWIGGBQNFPEG-BPZDKFOGSA-N 426.561 5.040 30 20 IKED CC(C)(C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1csc(-c2cccs2)n1 800387893 WOCJQNZEZJCRNH-LBPRGKRZSA-N 442.516 5.770 30 20 IKED N#C[C@H](C(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1)c1cc(C(F)(F)F)ccn1 813211220 GCRFFIXOBQKTBY-FQEVSTJZSA-N 444.840 5.752 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(OC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c(Cl)c1 816045681 TWACMAYQIJDTII-UHFFFAOYSA-N 441.793 5.192 30 20 IKED COc1ccc(-c2nc(SCc3cc4ccccc4nc3Cl)nc(O)c2C#N)cc1 824959688 LMJPJXHJCZZPGU-UHFFFAOYSA-N 434.908 5.223 30 20 IKED CCOC(=O)Nc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 915656313 OEOMXIZRSDRAOX-OAQYLSRUSA-N 433.895 5.816 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2)cc1 916899155 MRBZGYAQEMGGEU-HSZRJFAPSA-N 437.499 5.124 30 20 IKED N#C[C@H](C(=O)CCc1ccccc1Br)C(=O)Nc1ccc(Cl)cc1Cl 916930725 HKTIPHCIRIHUAU-CYBMUJFWSA-N 440.124 5.036 30 20 IKED N#C[C@H](C(=O)C1CCN(c2nc3ccccc3o2)CC1)c1nc2cc(Cl)ccc2s1 917045012 VWVNDCVJPMGEIU-OAHLLOKOSA-N 436.924 5.184 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/SC(=Nc3ccccc3C)NC2=O)cs1 917562053 DANOGCAMTWHYPX-UDWIEESQSA-N 448.573 5.336 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 918030746 WWFNRVASBIUYDB-UHFFFAOYSA-N 433.531 5.421 30 20 IKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1nnc(C(F)(F)F)s1 918151436 UHZGKFHNFNMMTP-UPHRSURJSA-N 435.271 5.246 30 20 IKED N#CCOc1ccccc1C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 919817663 UWIPHGSVHPOOSX-UHFFFAOYSA-N 439.393 5.112 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)C3CCC(C(F)(F)F)CC3)CCC2)cc1 1785934067 PCLMNYKMFWQHPC-UHFFFAOYSA-N 435.490 5.039 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)COc3cccc(Cl)c3)cc2)CCC1 1785993972 YVLIBECVYVHKGS-QGZVFWFLSA-N 426.944 5.065 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cccc(OC)c34)CCC2)cc1 1791253395 DXPKDYWLPBDJTA-KRWDZBQOSA-N 431.536 5.136 30 20 IKED Cc1nc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)cs1 1792122623 OYYBTRYYYGMYMT-MRXNPFEDSA-N 444.560 5.140 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3occ(Cl)c3c1)C2 1792572803 JHBCJPHUIXTHPU-BCDXTJNWSA-N 428.960 5.330 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1cccc(C)c1)C2 1798331663 WGFFNMKARBVLTC-UEQSERJNSA-N 443.591 5.077 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)C[C@H](C)c2ccccc2)[C@@H]1c1cccnc1 1812732118 ATQQYYJGKCJTKF-BAGOZOHOSA-N 445.607 5.050 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)/C(C)=C/c3ccc(C)o3)sc2C1 1819975453 VTMCSEOWGNXARN-JMPLCFMRSA-N 441.597 5.052 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CSc2ccccc2)CC1 1824140640 AMYWPSCTRUPIEE-DEOSSOPVSA-N 440.653 5.167 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCC3CCCC3)CC2)c1 1826269978 CJMNYVJYNGZRDD-HFZDXXHNSA-N 449.639 5.517 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)cccc2Cl)CC1 1828827853 XOSORJQDYYNQJV-KNQAVFIVSA-N 446.994 5.481 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC)cc2C)CC1 1830116550 MXGNDLPNCKHFAW-UKILVPOCSA-N 438.612 5.005 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)c2ccc(O)cc2)CC1 1830338436 SVIZALQSKNYYPF-GBXCKJPGSA-N 440.628 5.108 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2Cl)CC1 1830570449 OPBPWKNCIJUSPB-KNQAVFIVSA-N 446.994 5.481 30 20 IKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc3c(c2)CCCC3)c1 10167512 RLFBSGSQIPBYNV-UHFFFAOYSA-O 441.620 5.701 30 20 IKED Cc1ccccc1N/C(S)=C(/C(=O)c1ccc(F)c(F)c1)[n+]1ccc2c(c1)CCCC2 11166805 DTDCSEHSZMPTJE-UHFFFAOYSA-O 437.535 5.490 30 20 IKED Cc1cccc(C)c1/N=C1\NC(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])s2)S1 11290187 PNHTZYJWWZLVBW-XDHOZWIPSA-N 435.530 5.832 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C/c2ccc(C(=O)O)cc2)C(=O)c2ccccc2)c(Cl)c1 13216839 BKEZLAPEAZISNN-XSFVSMFZSA-N 433.891 5.560 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(C)C)nnc1-c1ccccc1OC 16863499 XSYSSVZPSVYWGU-QGZVFWFLSA-N 436.581 5.382 30 20 IKED C=CCn1c(C)nnc1S[C@@H](C)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 21140562 OTGCNUAVZGQUNO-HNNXBMFYSA-N 449.605 5.477 30 20 IKED C=CCNc1nc(C(=O)O[C@@H](C)C(=O)N2c3ccccc3Sc3ccccc32)cs1 22371571 AHNJMHQFXLHXOO-AWEZNQCLSA-N 437.546 5.116 30 20 IKED COc1ccc(OCCN(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 60532536 NKFSBFZXZINPPU-UHFFFAOYSA-N 432.545 5.010 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(CCN2CCCC2)cc1 72023941 VBNBHWUJYLFODL-UHFFFAOYSA-N 427.573 5.600 30 20 IKED C=CCN(C(=O)CCOC[C@H]1CCCO1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 107772758 AZXQOJHUZGXDLU-OAHLLOKOSA-N 441.380 5.222 30 20 IKED CC(=O)N(c1nc(/C=C2/CSc3ccc(F)cc3C2=O)cs1)c1ccc(F)cc1F 206338698 HIWNGYKNJWKKSF-SDQBBNPISA-N 446.475 5.617 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 237024287 OUERYIXIJSMEEB-VWLOTQADSA-N 440.522 5.649 30 20 IKED CC(C)n1c([C@H](C)NC(=O)c2ccc(OCc3ccccc3C#N)cc2)nc2ccccc21 303796760 ROAPVAKBDANQEQ-IBGZPJMESA-N 438.531 5.559 30 20 IKED N#Cc1cc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)ccc1Oc1ccccc1 428346510 LKGQRONGSMEACI-UHFFFAOYSA-N 427.338 5.530 30 20 IKED N#Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C#N)cc3Cl)s2)c(Cl)c1 430348634 BKCNBLPDSQXZAO-UHFFFAOYSA-N 441.299 5.303 30 20 IKED CC(C)(NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(F)c(F)c1 431411436 ZFRMEWWQQKMFHX-UHFFFAOYSA-N 445.520 5.037 30 20 IKED Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1sc2ccc(C#N)cc2c1C 432800584 OKIXXKLLEGNAHV-HNNXBMFYSA-N 431.561 5.514 30 20 IKED C=CCN(C(=O)c1cc(-c2ccc3c(c2)CCO3)no1)c1nc(-c2ccccc2)cs1 434003912 VRNVABNLNLIMOX-UHFFFAOYSA-N 429.501 5.233 30 20 IKED CC[C@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 435616836 LTYJCBSKKKINOL-QFIPXVFZSA-N 445.519 5.164 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H](C)Oc1cccc(F)c1 437964618 PYJIOGYTIJILMK-SFHVURJKSA-N 433.483 5.174 30 20 IKED N#CCC[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 439316441 RBGMRALZFBWGOT-JOCHJYFZSA-N 432.911 5.759 30 20 IKED CCCc1c(NC(=O)N[C@@H](C)c2ccc3ncsc3c2)cnn1-c1cccc(C#N)c1 439681943 CALOTTAOFAQTOT-HNNXBMFYSA-N 430.537 5.189 30 20 IKED COc1ccc(CC[C@H]2CCCCN2C(=O)N[C@H](CCC#N)c2ccccc2)cc1OC 440248334 WKXPQFQWEPAIAQ-DHIUTWEWSA-N 435.568 5.246 30 20 IKED N#Cc1ccc(CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(OC(F)F)c1 444741967 HZVXLRXEURQZOF-HNNXBMFYSA-N 438.318 5.962 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2c(F)cc(C#N)cc2F)cc1 445918385 AAECEVQCVINSJE-UHFFFAOYSA-N 425.822 5.019 30 20 IKED N#Cc1cccc(-c2cc(C(=O)N3CCCC[C@H]3c3ncc(-c4cccc(F)c4)[nH]3)on2)c1 447478076 KOXNCSQQUVLMJF-QFIPXVFZSA-N 441.466 5.110 30 20 IKED C[C@H](CC#N)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCCCO1 461865290 JNODBWJQIPKVAS-CABCVRRESA-N 429.977 5.121 30 20 IKED COc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc(OC)c1OC(F)F 463772399 RMGPZQSONZZLTA-UHFFFAOYSA-N 440.402 5.221 30 20 IKED CCN(CC)C(=O)c1ccc(CNC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)cc1 464862440 IZMKTBOIVNIMSZ-UHFFFAOYSA-N 441.531 5.071 30 20 IKED CC(=O)N(c1nc(CSc2ccc(C#N)cc2Cl)cs1)c1ccc(C)cc1C 465389927 VVXAAJOTATUZPT-UHFFFAOYSA-N 427.982 6.262 30 20 IKED Cc1coc(-c2ccc(C)c(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)c2)n1 470096280 YDWDQLSLVPVCIZ-UHFFFAOYSA-N 439.519 5.605 30 20 IKED COc1ccc([C@@H](NCC(=O)N(CCC#N)c2cccc(C)c2C)c2ccc(F)cc2)cc1 470526244 BUEATVYZTUQZAR-MHZLTWQESA-N 445.538 5.077 30 20 IKED N#CC[C@H](CC(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccccc1 476986893 SJIPXKPLRPKCEJ-NFBKMPQASA-N 448.364 5.332 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3cncnc3)cc2F)cc1Cl 481367951 DUWSCBRBFMGZCU-QFIPXVFZSA-N 442.881 5.844 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NC3CC(c4ccccc4)C3)cc2Cl)cc1 484126546 FLZKWWHCBAEACT-UHFFFAOYSA-N 445.906 5.005 30 20 IKED COc1cccc([C@@H]2CN(C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)CCO2)c1 484828085 IKASNKQAJQYYQB-DEOSSOPVSA-N 448.906 5.226 30 20 IKED O=C(Nc1nc(C(F)(F)F)cs1)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 486829144 XPLCGAYKEITNKZ-SECBINFHSA-N 435.296 5.188 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)c1nc(-c2ccccc2C)no1 489684587 KBORYFQSBPRJIY-GOSISDBHSA-N 447.564 5.563 30 20 IKED C[C@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(OCC(F)(F)F)cc1 502325467 ILDUHSJLQIODTB-INIZCTEOSA-N 429.442 5.059 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2csc(-c3ccc(F)c(F)c3)n2)c1C 503150032 FRTCZXALIPFFLQ-UHFFFAOYSA-N 435.459 5.015 30 20 IKED Cc1csc(-c2ccc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)cc2)n1 506129737 BFNBCTZGUBISBS-UHFFFAOYSA-N 441.560 5.765 30 20 IKED C=CCOc1ccc(CNC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1 508443185 DRBMIKXHEKBVNV-UHFFFAOYSA-N 425.916 5.135 30 20 IKED N#Cc1cccc(COc2cccc(CN3CCC(C(=O)c4cc(F)ccc4F)CC3)c2)c1 510515952 AXSJZXFQOPWWFP-UHFFFAOYSA-N 446.497 5.510 30 20 IKED CCCN(CC)C(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 511763807 VHCUNMBUYFTLGV-OAQYLSRUSA-N 431.561 5.481 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)c1nc(-c2ccncc2)cs1 512963628 HBQIJRSQGJFBCF-GOSISDBHSA-N 433.439 5.766 30 20 IKED C=CCOc1cccc(NC(=O)c2c(C)nn(-c3ccc(Br)cc3)c2C)c1 513156824 VZYDSGQGKWFGSD-UHFFFAOYSA-N 426.314 5.069 30 20 IKED COc1cc(C)c(Br)cc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 513659555 CAAYWQVBAWHFSS-GFCCVEGCSA-N 434.240 5.001 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 515697499 SANJPVJWVIWJSB-GOSISDBHSA-N 449.963 5.431 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(C)nn(-c4ccccc4)c3C)n2)cc1 516269921 DYOVXVAVPZUREZ-FQEVSTJZSA-N 428.517 5.111 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)cc1 517762320 HZEFNFDKWQCHRY-OAQYLSRUSA-N 445.563 5.246 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cc(Br)ccc3F)cc2)cc1 518395137 CYVTWYYHXSASLS-UHFFFAOYSA-N 425.257 5.699 30 20 IKED C=CCN1CCC(NCc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)CC1 518794224 UCVCIQNUURIORN-UHFFFAOYSA-N 430.596 5.067 30 20 IKED Cc1c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)nnn1-c1ccccc1Cl 519124539 KVDOCBNIQDXMBN-UHFFFAOYSA-N 429.867 5.145 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)cc2)nc1 520334077 UGEFASRJYOIZNT-FQEVSTJZSA-N 426.501 5.333 30 20 IKED Cc1c(C(=O)Nc2ccccc2S[C@H](C)CC#N)sc2nc(C(F)(F)F)ccc12 521327134 SXNADMFPYXIUHW-LLVKDONJSA-N 435.496 6.270 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(F)cc3-c3ccc(Cl)cc3)cc2)nc1 521361905 QHGWAYWACOIIDS-UHFFFAOYSA-N 443.865 6.457 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C)O[C@@H](C)C2 521662634 RQHXLMCRYQDXMO-OEOAZWSVSA-N 447.579 5.004 30 20 IKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cnn1-c1ccccc1 524457457 ILCJKLQRIXMRQM-UHFFFAOYSA-N 426.451 5.023 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1Cc2ccccc2-c2ccccc2C1 524485797 KKPLFAJPENBTRC-FQEVSTJZSA-N 425.532 5.013 30 20 IKED COC(=O)C(C)(C)c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 525081337 NKUHADKRAUDQAU-UHFFFAOYSA-N 430.529 5.412 30 20 IKED Cc1nc(O)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1-c1ccccc1 530696647 BGFPVEYREKJRTJ-UHFFFAOYSA-N 435.483 5.466 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@H]1c1cc2ccccc2[nH]1 533520539 DKVYIJUYWWITPF-JPYJTQIMSA-N 432.593 5.728 30 20 IKED Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)N(C[C@@H](C)C#N)C1CC1 533597573 BMIPMCIGSFTBFA-INIZCTEOSA-N 433.531 5.888 30 20 IKED CCS(=O)(=O)c1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1 534874704 MDGRJNMRZDMUNF-UHFFFAOYSA-N 440.908 5.050 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cnc([C@@H]4CCCO4)s3)cc2Cl)c1 535521051 QBCQXEUBKLCPPR-IBGZPJMESA-N 439.924 5.351 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccccc1)[C@H](C)CCO 536815771 LAGUUSSZAIUMSU-OAQYLSRUSA-N 443.547 5.251 30 20 IKED N#CC1(c2ccc(C(=O)Nc3ccc(CC(=O)N4CCCc5ccccc54)cc3)cc2)CC1 540734397 KTOGLODAHMIEAO-UHFFFAOYSA-N 435.527 5.016 30 20 IKED N#CCc1ccc(C[S@@](=O)Cc2csc(-c3ccc(Br)cc3)n2)cc1 541259928 WWKKWQIJFQAHKL-RUZDIDTESA-N 431.380 5.088 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 542420152 VVYOGQFOCZDZGP-LJQANCHMSA-N 434.323 5.259 30 20 IKED N#Cc1ccc(NC(=O)N2CCC(Oc3cccc(Br)c3)CC2)cc1Cl 546125584 IYNFRVMQVADDEB-UHFFFAOYSA-N 434.721 5.049 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCc1nc(-c2ccc(Oc3ccccc3F)c(F)c2)no1 546460642 JQVOKYQVRPVCCB-UHFFFAOYSA-N 448.429 5.181 30 20 IKED CCN1C(=O)CCc2cc(NC(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)ccc21 546843034 PDJLELSYMYTHCO-SFHVURJKSA-N 438.531 5.407 30 20 IKED CCC(=O)Nc1cccc(-c2noc(C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)n2)c1 566763808 YMHPZUKTTKVRII-UHFFFAOYSA-N 449.942 5.168 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC(c4c[nH]c5ccccc45)CC3)cc2)ccn1 567203493 RRCNKXMCXLOYES-UHFFFAOYSA-N 437.503 5.638 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)cn2)cc1 603765774 YMZCWOOPBOYAIH-UHFFFAOYSA-N 434.455 5.250 30 20 IKED N#CCc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1 603780437 WKTZQGBFRXSBCA-UHFFFAOYSA-N 434.293 5.020 30 20 IKED CCCCCc1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 603835861 VRHJGTQBXIIQLR-UHFFFAOYSA-N 432.524 5.394 30 20 IKED N#C[C@@H](C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc2cc(C(F)(F)F)ccc2s1 603846391 YCTZKUFWUYSPTM-LBPRGKRZSA-N 447.419 5.928 30 20 IKED COc1ccc(-c2nnc(SCC(=O)Nc3sc(-c4ccccc4)cc3C#N)o2)cc1 603969092 AYVFOECLPZNDRX-UHFFFAOYSA-N 448.529 5.076 30 20 IKED CCN(CC)CC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 604089489 BJNPXIWFEXBLGL-UHFFFAOYSA-N 440.975 5.590 30 20 IKED N#C[C@@H](C(=O)c1ccc(F)c(Br)c1)c1nc2cc(C(F)(F)F)ccc2s1 608552839 DKXOIRIKLVTTIK-JTQLQIEISA-N 443.219 5.707 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H]3c3cccc4c3OCCO4)c2)cc1 609208661 CZPHEHYRCQHJQR-QHCPKHFHSA-N 441.487 5.491 30 20 IKED C[C@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1C(=O)c1ccc(C#N)nc1 609641486 YXIKXYRPHVLFAM-MGPUTAFESA-N 426.907 5.437 30 20 IKED C[C@H](NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1cccc2ccccc12 609936732 DSFFQEVPHMESBH-SFHVURJKSA-N 435.483 5.320 30 20 IKED C[C@@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1C(F)(F)F 610220603 OAQIWBSWILQAIZ-GFCCVEGCSA-N 448.495 5.463 30 20 IKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)N[C@@H](C)c2cccc(C#N)c2)cc1 610361860 IQMDAZWONRQQCK-SFHVURJKSA-N 429.545 5.089 30 20 IKED Cc1cccc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)o2)c1 610859316 MGOJAPRNWPISEK-UHFFFAOYSA-N 443.532 5.055 30 20 IKED N#CCCn1cc(CNc2cccc(C[S@@](=O)c3ccccc3)c2)c(-c2ccccc2)n1 610911501 ZUCQFFBFRHWCQE-JGCGQSQUSA-N 440.572 5.384 30 20 IKED COc1cc(C#N)ccc1CN1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 611235503 CNQPVFODWOVCIK-VWLOTQADSA-N 446.595 5.256 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC[C@H]1c1cccc(F)c1 615683144 NLKYCWBJQPFFJU-IOASZLSFSA-N 426.376 5.582 30 20 IKED C=CCn1c(SCc2nnc(CC)s2)nc2cc(-c3ccccc3)sc2c1=O 680018949 ZHYYIMNWSAZLCD-UHFFFAOYSA-N 426.592 5.017 30 20 IKED CC(C)(c1ccc(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1)C(F)(F)F 683385436 DSFBLUYOQQXSQX-CHWSQXEVSA-N 435.330 5.729 30 20 IKED COc1cc(/C=C/C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cc(OC)c1OC 727655183 TZKLDFCHUNFMSY-BJMVGYQFSA-N 429.925 5.694 30 20 IKED Cc1oc(-c2cccs2)nc1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 727751867 VRYPDAIXUMWPCA-FQEVSTJZSA-N 429.501 5.285 30 20 IKED Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728298186 CGIYCJJUJZKHDH-MRXNPFEDSA-N 437.902 5.677 30 20 IKED C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl 728411779 LELVFKZECSCKKY-FXAWDEMLSA-N 432.907 5.046 30 20 IKED C[C@H](c1ccccc1)c1ccc(OC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc1 728852939 QXOLHJOTQXSUER-LJQANCHMSA-N 433.529 5.135 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2sccc2SC(F)F)c1 730661704 LULLUNCYUYLSSY-AWEZNQCLSA-N 438.521 5.172 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NC[C@H](O)c3cccc(C(F)(F)F)c3)c2)cc1 730900756 WRRVYIZDJLESFV-NRFANRHFSA-N 441.409 5.224 30 20 IKED COc1cc(C)c(C(=O)/C=C\c2csc(COc3ccc(Cl)cc3)n2)cc1OC 731317579 ASTXMCKXFFYGGH-TWGQIWQCSA-N 429.925 5.597 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCC[C@H](CN4CCCCCC4)C3)c2)s1 740484177 JBWSVZWWNMNXJB-OAQYLSRUSA-N 436.625 5.084 30 20 IKED C/C(=C/C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 742570726 CMGDPDUTHRZEHD-BCSJQMDCSA-N 433.314 5.698 30 20 IKED C[C@H](Oc1cccc(Br)c1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 744034524 AJGMXGNBLXAQCJ-HZMBPMFUSA-N 435.730 5.356 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)Nc1ccc(OC(F)F)cc1 745724726 VVCVERVLUJBEJE-UHFFFAOYSA-N 441.478 6.011 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)cc1OC 748199077 NYJYOCNUWJHIRS-JQIJEIRASA-N 442.515 5.473 30 20 IKED C[C@@H](NC(=O)CC1CCCCC1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 750395477 ORTJTARNRRBZCX-KDOFPFPSSA-N 429.973 5.115 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc3c(Br)cccc3[nH]2)cc1 751329750 WFIVYYUNDKMXQU-IBGZPJMESA-N 430.305 5.838 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/COc3c(cccc3C(C)C)C2=O)cs1 753900061 HDHGOBVCFODGGS-WJDWOHSUSA-N 436.508 5.749 30 20 IKED C#CCN(Cc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1)C1CCCCC1 756501836 OPGBXCCDMGBNLE-UHFFFAOYSA-N 435.515 5.614 30 20 IKED C[C@@H](ON=Cc1ccccc1Br)c1nnc(-c2ccc(Cl)cc2Cl)o1 757617141 YVWGXUGEGYQYDC-SNVBAGLBSA-N 441.112 5.918 30 20 IKED CN(Cc1cc(Br)cn1C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 758536730 WCJNKDUROISSQB-OAQYLSRUSA-N 437.341 5.107 30 20 IKED C[C@H](C[C@H](O)c1ccco1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 759491221 KYJXPBGLGRAXDU-KUHUBIRLSA-N 425.872 5.231 30 20 IKED C=CCn1c(-c2ccccc2C)nn(CN2CCC(c3ncc(C)s3)CC2)c1=S 762158330 PVKBWAHUJRGNPI-UHFFFAOYSA-N 425.627 5.178 30 20 IKED CC(C)c1ccccc1-n1c(SC[C@@H](O)c2ccc(C#N)cc2)nnc1-c1cccnc1 763234231 ZPUGQSNOIQCEJM-HSZRJFAPSA-N 441.560 5.150 30 20 IKED N#C[C@H](C(=O)CN1CC=C(c2ccccc2C(F)(F)F)CC1)c1nc2ccccc2s1 763685022 SKHMINCDSDQPJK-QGZVFWFLSA-N 441.478 5.281 30 20 IKED C=CCn1c(-c2cccc(OC)c2)nn(CNC2(c3nc(C)cs3)CCCC2)c1=S 764119432 DGZUOEFIAARWLI-UHFFFAOYSA-N 441.626 5.057 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)c1 764301992 MCIJWVRILWQSOY-UHFFFAOYSA-N 435.267 5.010 30 20 IKED O=C(OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1cnc(-c2cccnc2)s1 764903421 OCSRHDNPIKIWBS-UHFFFAOYSA-N 436.308 5.137 30 20 IKED N#C[C@@H](C(=O)c1cccc(C2OCCO2)c1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 775228824 XWTWKMFGVDMLRA-ILGMOKPNSA-N 434.561 5.146 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3csc(-c4cccc5ccccc45)n3)o2)c1 778190991 ICXFGYYSUNECMG-UHFFFAOYSA-N 438.468 5.242 30 20 IKED CC(C)(C)OC(=O)N1CCCc2c(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cccc21 778942144 XZKOUBSWQOXQNG-ISKFKSNPSA-N 445.563 5.286 30 20 IKED N#Cc1ccc(CNCc2ccc(OCc3ccccc3)cc2OCc2ccccc2)nc1 780557751 CLUDHMAURVFRMM-UHFFFAOYSA-N 435.527 5.401 30 20 IKED COc1ccc(-c2nc3c(s2)[C@H](NC(=O)Nc2ccccc2O[C@H](C)C#N)CCC3)cc1 780667057 FRQCUZKMYXHBJW-FOIQADDNSA-N 448.548 5.309 30 20 IKED COc1ccc(CN(C(=O)Nc2ccccc2O[C@@H](C)C#N)C2CCCCC2)cc1OC 780669219 DGNNZOXUDVZRPN-SFHVURJKSA-N 437.540 5.361 30 20 IKED C[C@@]1(C#N)CCCN(Cn2nc(Nc3ccc(SC(F)F)cc3)sc2=S)C1 784012142 APBNCHDORJFNBI-KRWDZBQOSA-N 427.571 5.316 30 20 IKED C[C@@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)Nc2cccc(OCC#N)c2)cc1 785221589 IWBFMKRORAHGIR-QGZVFWFLSA-N 431.517 5.019 30 20 IKED COc1ccccc1-c1ncc(/C=C/C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)cn1 792871193 URRJIVDVNXJOPY-IZZDOVSWSA-N 426.428 5.007 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)s1 797569841 YACOLSQUHWCNGQ-OAHLLOKOSA-N 449.523 6.002 30 20 IKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(CC(F)(F)F)C2=O)cc1 799217181 KFVWTPNXMVPJPR-GOSISDBHSA-N 449.498 5.134 30 20 IKED CC(C)C(=O)c1ccc([C@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 802040461 GDCVUALLKPIUMT-SUMWQHHRSA-N 431.319 5.283 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)[C@@H](C)Cc2ccccc2C(F)(F)F)c1 805113664 KOPXIBDLPOTUHW-LPHOPBHVSA-N 433.474 5.159 30 20 IKED N#Cc1cc(Br)ccc1COC(=O)CCCc1ncc(-c2ccccc2)o1 805400535 XBXVRVATFMZDCV-UHFFFAOYSA-N 425.282 5.042 30 20 IKED N#Cc1ccc(Br)c(CNc2ccc(OCc3cn4ccccc4n3)cc2)c1 864011176 QDRZZFBSEFHTJO-UHFFFAOYSA-N 433.309 5.160 30 20 IKED N#C[C@@H](C(=O)c1ccc(C2SCCS2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 915101898 OACMCOGJQBLMCU-KRWDZBQOSA-N 443.018 6.432 30 20 IKED CC(=O)N[C@@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1 915181347 ZBPMXESGTQIQBB-RPWUZVMVSA-N 431.923 5.201 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(C3CC3)C2=O)c1 916209253 HXLQCFGSZQFIAJ-IBGZPJMESA-N 427.957 5.080 30 20 IKED N#C[C@@H](C(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1nc2ccccc2[nH]1 916844583 OVORTUKIJSUFLL-KRWDZBQOSA-N 440.553 5.955 30 20 IKED N#C[C@H](C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2ccccc2n1 916848688 NGZPKZZNKUKTNO-AFCDSYGPSA-N 434.339 6.162 30 20 IKED CCn1c(SCC(=O)[C@@H](C#N)c2ccc3ccccc3n2)nnc1-c1ccc(Cl)cc1 916848727 OWEUXKUMODTVOK-SFHVURJKSA-N 447.951 5.135 30 20 IKED Cc1ccc(Cl)c(O[C@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 916930601 DPXIQOWOWIWISE-DGCLKSJQSA-N 425.699 5.070 30 20 IKED Cc1ccc(Cl)c(O[C@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 916930603 DPXIQOWOWIWISE-YPMHNXCESA-N 425.699 5.070 30 20 IKED CCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(C(C)(C)C)cc2)cc1 917613205 MWPBKKORAAKLHV-UHFFFAOYSA-O 442.608 6.029 30 20 IKED COc1ccc(OCc2nc(/C=C\C(=O)c3sc(C(C)(C)C)nc3C)cs2)cc1 920068758 QLSGJYAHGOFXHG-WDZFZDKYSA-N 428.579 5.689 30 20 IKED CCN(CC)CCN(Cc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 921112365 ANKRSPKNEGDHNV-MHZLTWQESA-N 440.591 5.718 30 20 IKED Cc1ccccc1-c1ncccc1C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)S)CCC2)cc1 1788360912 OBCQZIWCUIHFFL-GOSISDBHSA-N 445.588 5.123 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccnc4ccccc34)cc2)CCC1 1788890704 GAOZZQBLNMEOQQ-UHFFFAOYSA-N 425.532 5.176 30 20 IKED CC(C)(Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C2(NC(=O)CC#N)CCC2)cc1 1790383569 GWIJPIKENSFTJY-UHFFFAOYSA-N 441.531 5.045 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc4ncccc4c3)CCC2)cc1 1791243988 HWYHRTLHIYEHLJ-LJQANCHMSA-N 427.548 5.124 30 20 IKED CCC[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCC#C[Si](C)(C)C)C3)CC1 1801812224 BVBKLUNSRAXBRF-KHFMAEOWSA-N 444.736 5.282 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3cnccc23)[nH]n1 1814443550 ZTSLQXFWTIKLSN-JOCHJYFZSA-N 445.567 5.256 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H](C)c2ccccc2)[nH]n1 1819309913 LCRKXTZFICDGFG-WPYKKVEZSA-N 434.584 5.364 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C)c(OC)c2)[nH]n1 1819555361 CBYSTAIESVADMB-HXUWFJFHSA-N 438.572 5.025 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3ccccc3o1)CC2 1820098244 QVYDEBXQLQPVKB-MRXNPFEDSA-N 437.565 5.108 30 20 IKED CC1=CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)CC1 1828351075 FQKFNFJYGSKODH-JJTGBXKASA-N 447.623 5.293 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2C2CC2)CC1 1828829688 LDFQCTUXWATCFS-ZEQKJWHPSA-N 434.624 5.566 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc(Cl)s2)CC1 1829069351 WZMAEMBYGGQXHB-QGZVFWFLSA-N 438.037 5.022 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ccoc3c2)CC1 1830903846 DEVNHYGZWGFHCR-DEOSSOPVSA-N 434.580 5.435 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(C)snc3s2)CC1 1831371216 VPMPWXQGRQVBQR-HNAYVOBHSA-N 445.654 5.112 30 20 IKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1832827879 BNHFBHRVRHKFAT-XMMPIXPASA-N 442.559 5.233 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2cccc(CC)c2)cc1 10174575 GZVVXIVJWPAJRR-UHFFFAOYSA-O 431.625 6.075 30 20 IKED COc1ccc(-c2nnc(SCc3ccccc3C#N)n2C2CCCCC2)cc1OC 11381960 DIASRCHEKOARFB-UHFFFAOYSA-N 434.565 5.631 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(OC)cc2)cc1 22731270 RGRNAWWWOCYFTB-UHFFFAOYSA-O 445.608 5.475 30 20 IKED C=CCn1c(SCc2csc(-c3ccc(F)cc3)n2)nnc1-c1ccccc1OC 23635059 SHGIZYQWDHKCCF-UHFFFAOYSA-N 438.553 5.695 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)nnc1-c1ccc(F)cc1 24014759 QDPGTFXIYMUNPB-CABCVRRESA-N 444.963 5.282 30 20 IKED C[C@@H](NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)N(CCC#N)c1ccccc1 28799953 YAPPHAYYLCDPLF-BWKNWUBXSA-N 436.559 5.225 30 20 IKED C=CCNC(=O)Nc1ccc(N[C@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)cc1 29721007 GEQMKVIVBYATDY-QHCPKHFHSA-N 448.954 5.748 30 20 IKED CC(C)c1ccc(-c2nc(C(=O)N3CCCN(c4ccccc4C#N)CC3)cs2)cc1 60664227 RYXQKLOZIZKXOK-UHFFFAOYSA-N 430.577 5.158 30 20 IKED C[C@@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 72030891 YFUJEFMDPGBHQN-CQSZACIVSA-N 436.855 5.351 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 107576441 ZPJGRJCMNFDHBH-AWEZNQCLSA-N 443.922 5.247 30 20 IKED COc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1OCC(C)C 195588996 DGLGFDIKHXRIQL-UHFFFAOYSA-N 444.531 5.627 30 20 IKED COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1F 208898883 UNNOHLZOKMRVSD-ALCCZGGFSA-N 432.423 5.150 30 20 IKED COc1cccc(-c2noc([C@H](C)NCc3cccc(OCc4cccc(C#N)c4)c3)n2)c1 237581027 NRDQFYRALJYIJN-SFHVURJKSA-N 440.503 5.047 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 301259337 FAPSTFXYOJEAHC-UHFFFAOYSA-N 437.425 5.179 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCc4ccc(F)c(F)c4C3)cc2F)c1 426085977 PZEBLZZBGXONBS-UHFFFAOYSA-N 437.421 5.145 30 20 IKED CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 429104985 QDJKNAYFFRIXAB-XLIONFOSSA-N 439.943 5.191 30 20 IKED Cc1nc([C@@H]2CCCOC2)sc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 431350114 KBALWKVVUJPNGQ-HXUWFJFHSA-N 447.560 5.243 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCCC[C@@H]1c1ccc(F)cc1F 432018049 FKOWNSLKNKGIAA-IIBYNOLFSA-N 429.536 5.382 30 20 IKED Cc1c(C#N)cccc1NC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 432285648 OLACMRSHUFMPQO-UHFFFAOYSA-N 425.492 5.101 30 20 IKED CN(CC(C)(C)C#N)C(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 432856169 VRHAPYBTSSKNOG-UHFFFAOYSA-N 438.915 5.587 30 20 IKED Cc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1C(=O)N(C)C 434178789 XVLUJANSKNQZHX-UHFFFAOYSA-N 433.895 5.267 30 20 IKED Cc1nc(C)c(-c2nnc(SCCC(C#N)(c3ccccc3)c3ccccc3)o2)s1 434642751 LXRDNRREMHAXEF-UHFFFAOYSA-N 432.574 5.802 30 20 IKED O=C(c1cccc(C(F)(F)F)c1F)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 435357743 MSWWJGFIEXHHCZ-VIFPVBQESA-N 426.357 5.340 30 20 IKED CC[C@@H](C)Oc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 437262197 XJLJVFCXDVCIDF-MRXNPFEDSA-N 447.466 5.244 30 20 IKED Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 437904576 CHHOANMLHMBXQO-UHFFFAOYSA-N 448.910 5.658 30 20 IKED N#Cc1ccc(F)c(CN[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c1 439638886 XMMPSDYWROAQDW-OAQYLSRUSA-N 427.401 5.186 30 20 IKED CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 442531669 CWYXLKIEFRXYAI-BOCKYXSRSA-N 435.593 5.095 30 20 IKED CC(C)(C)c1nsc(Oc2ccc(NC(=O)N(CCC#N)CC3CC3)cc2Cl)n1 445051155 UOKYYZLVOFOGEH-UHFFFAOYSA-N 433.965 5.439 30 20 IKED CCCN(C(=O)c1c(F)cc(C#N)cc1F)[C@H](c1cccnc1)c1ccc(F)cc1F 446042985 BKMAMDXKVHSTQN-JOCHJYFZSA-N 427.401 5.151 30 20 IKED O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1cccc(C(F)(F)F)c1F 464726400 ITCZJDMGZQWAPS-UHFFFAOYSA-N 435.274 5.440 30 20 IKED Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2cn(CCCC#N)c3ccccc23)C1 468978002 NYWJOTGGZMHOJN-IBGZPJMESA-N 434.971 5.163 30 20 IKED CCCCc1ccc([C@H](NCc2nnc(-c3ccc(C#N)cc3)o2)c2cccs2)cc1 471622818 XXIBOAUCLLTSJM-DEOSSOPVSA-N 428.561 5.892 30 20 IKED Cc1c(COc2ccccc2)cccc1NC(=O)N1CCCN(c2ccccc2C#N)CC1 472837224 QOIHIVPSCBBPCF-UHFFFAOYSA-N 440.547 5.190 30 20 IKED C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 473634821 ZMBOHXFJPKXOQE-MYGHRHJXSA-N 433.533 5.313 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCCC[C@H]1c1nc2ccccc2o1 474241738 XKXXOTIFFMDJNE-PXNSSMCTSA-N 434.565 5.245 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 476143879 KIFNHJOUXXCLSZ-UHFFFAOYSA-N 444.362 5.285 30 20 IKED N#CC[C@H](CC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1)c1ccccc1 476393267 QLBGSJRPTBYNQO-MRXNPFEDSA-N 437.297 5.057 30 20 IKED N#Cc1cccc(OCCCSc2nnc(COc3ccc(Cl)cc3Cl)o2)c1 477522945 FRNACYKEDHQSAJ-UHFFFAOYSA-N 436.320 5.388 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccc(Br)cn1 477775500 SXWUUHRWBHDOFW-OAHLLOKOSA-N 436.309 5.193 30 20 IKED COC(=O)c1csc(-c2cccc(CNC3CCC(C#N)(c4ccccc4)CC3)c2)n1 477854007 GIPBGGMMVKACOI-UHFFFAOYSA-N 431.561 5.090 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)c1 480077840 OQNJFGYBCMRCEK-SFTDATJTSA-N 434.442 5.481 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 480551191 ILKQVMKPJHDWCV-HZPDHXFCSA-N 448.514 5.358 30 20 IKED COc1ccc2nc(N(Cc3ccccc3)C(=O)CSc3ccc(C#N)cc3)sc2c1 481941816 DTDOJRGSEVIHQM-UHFFFAOYSA-N 445.569 5.502 30 20 IKED CC(C)CN(C(=O)c1cc(C(=O)OC(C)(C)C)n(-c2ccccc2)n1)c1ccc(C#N)cc1 482385048 MKWFNGXSBUSOAY-UHFFFAOYSA-N 444.535 5.002 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 482399771 CLIAELQVGOFLHU-GOSISDBHSA-N 439.384 5.161 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 482399772 CLIAELQVGOFLHU-SFHVURJKSA-N 439.384 5.161 30 20 IKED N#CCC[C@@H](NC(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccccc1 482404536 WEYVLKOEJVJUNH-IAGOWNOFSA-N 429.364 5.653 30 20 IKED CN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 482985772 CCEXMIWHQYNRLK-HSZRJFAPSA-N 432.886 5.622 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(CCO)Cc1ccc(Br)s1 484655066 PVTSNJHAUSNOPC-UHFFFAOYSA-N 437.403 5.389 30 20 IKED Cn1c(=O)ccc2ccc(NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cc21 488388423 JUGYJDJLRNIAHY-NRFANRHFSA-N 442.906 5.491 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1SCc1nc(-c2cccc(Br)c2)no1 488727885 DVUUQHJJJCHYSP-UHFFFAOYSA-N 441.232 5.077 30 20 IKED CCN(CCC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(OC)c1OC)CC2 492184072 XZYIWIPUQOJDCZ-ISLYRVAYSA-N 441.531 5.115 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C 495184016 MVWVWWDYZCWJSL-SFHVURJKSA-N 439.581 5.361 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccc(CCC(F)(F)F)cc1 501825696 FBGQUILNUAGDGE-UHFFFAOYSA-N 437.355 5.851 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCN(c3ccccc3)C2)cc1Cl 510042557 HGHUBOMKIBLQKI-NTKDMRAZSA-N 444.966 5.643 30 20 IKED CCN(CC)[C@H](C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(C(F)(F)F)c1 510864144 FKVPAIZDHACYED-KKSFZXQISA-N 449.542 5.979 30 20 IKED N#Cc1c(F)cccc1-n1ccc(NCc2cccc(NC(=O)c3ccccc3Cl)c2)n1 512378473 QJUZFWOXPYDFAW-UHFFFAOYSA-N 445.885 5.401 30 20 IKED Cc1ccc(-n2nc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)c3c2CCCC3)cc1 512979212 BIQBBTFUUKNKRW-FQEVSTJZSA-N 439.544 5.068 30 20 IKED CC(C)CC(=O)Nc1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1 513108283 MBRLYEQQDKRWGM-UHFFFAOYSA-N 427.504 5.374 30 20 IKED COc1cc(Cl)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC 513779160 ZSOVFSSVALLLFJ-UHFFFAOYSA-N 436.895 5.369 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H]2C2CCCC2)cc1Cl 517325482 QLTMWVNFKFUOAZ-GMAHTHKFSA-N 435.955 5.115 30 20 IKED CCCN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[C@H](C)C(=O)Nc1ccccc1 517657283 OEBXKGDVVYNINU-HXUWFJFHSA-N 441.531 5.424 30 20 IKED Cc1ccc(-c2cc(C(=O)Nc3sc(C)c(C)c3C#N)c3cnn(C(C)C)c3n2)cc1 518174575 HVRCBUDSROMICR-UHFFFAOYSA-N 429.549 5.790 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl 519427383 CMPFJRKLADZSEX-NSHDSACASA-N 429.756 5.916 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCCNc1ccc(C(F)(F)F)cn1 520196063 WPCQRGWWDRMXBE-AWEZNQCLSA-N 437.491 5.118 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1nc(-c2ccc(Cl)cc2)cs1 520910381 LVBSCGDNZJDJFC-KRWDZBQOSA-N 449.879 5.047 30 20 IKED COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 521366594 PIHNQCBTRQBUTO-XMMPIXPASA-N 443.503 5.737 30 20 IKED COc1cccc(CCC(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)c1OC 521906961 BPMMXSKLLHOOIN-UHFFFAOYSA-N 434.923 5.395 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCCCN1CCCCC1 522092890 VLRZYVXWHAYSMS-UHFFFAOYSA-N 434.584 5.223 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(c3ccccc3F)CC2)cc1 523013565 APRMWZWNMXRQLY-UHFFFAOYSA-N 443.522 5.882 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3ccc(OC(F)F)cc3)cc2F)c1 524455178 JBZUHINSLLTSRI-UHFFFAOYSA-N 426.394 5.059 30 20 IKED C[C@@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nc2ccccc2n1C(F)F 524490226 AFTBJAPMLZDOLU-MRXNPFEDSA-N 446.457 5.373 30 20 IKED N#Cc1ccc(C(=O)CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)cc1 532628604 VAQUQLMCYSPKHK-UHFFFAOYSA-N 434.908 5.086 30 20 IKED C=CCOc1cccc(CNc2ccc(NC(=O)[C@@H](C)n3nc(C)cc3C)c(Cl)c2)c1 532728254 OZVXMPHJLAORQP-GOSISDBHSA-N 438.959 5.530 30 20 IKED CC[C@](C)(C#N)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(OC)c1OC)CC2 534593774 XTSNUNDICMOUCR-UZMNLOIXSA-N 441.531 5.161 30 20 IKED N#C[C@@H](C(=O)c1cccc([C@@H]2CCOC2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 536442345 ODYAOZLWJYWHKM-QAPCUYQASA-N 443.355 6.111 30 20 IKED C[C@H](N[C@H](C)c1ccc(-n2cncn2)cc1Cl)c1ccc(-c2cccc(C#N)c2)cc1 541135180 JHEFQYICBDPSFE-ZWKOTPCHSA-N 427.939 5.871 30 20 IKED CCc1noc(-c2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)c(Cl)c2)n1 541552708 PWXIPVNRWJYGPY-UHFFFAOYSA-N 448.866 5.248 30 20 IKED C[C@H](CN(C)C(=O)c1ccccc1)c1nc(-c2cn(CCC#N)c3ccccc23)cs1 542520874 NLVQJVRIWMTPFA-GOSISDBHSA-N 428.561 5.554 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3CCO[C@@H](c4ccc(F)cc4)C3)c2)cc1 544584985 JSCGICQNTPIMTA-ZJSXRUAMSA-N 431.467 5.531 30 20 IKED COc1ccc(C(=O)CCCCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 544761522 KAXWFODZPGOVPK-UHFFFAOYSA-N 443.503 5.444 30 20 IKED Cc1cc(Br)cc(C)c1N(CC(F)F)C(=O)c1ccc(Cl)c(C#N)c1 546022387 DVGUVSAVLIVQAN-UHFFFAOYSA-N 427.676 5.503 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 553007601 DJHCGUVNUQGMBY-UHFFFAOYSA-N 435.383 5.618 30 20 IKED Cc1ccc(Oc2ncccc2-c2noc(-c3ncc(C#N)cc3C)n2)c(Br)c1 556309861 XZVDNNDPTUADBJ-UHFFFAOYSA-N 448.280 5.237 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccccc1SCc1csc(C)n1 557610084 BTNNVEDIYIAHJG-UHFFFAOYSA-N 440.638 5.740 30 20 IKED C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)cc1Cl 566409265 VNVWIXNLLVYHKB-OAHLLOKOSA-N 448.910 5.134 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)Nc3cnn(Cc4ccc(Cl)cc4)c3)s2)cc1 570388070 DDFZWMLBJDESHQ-UHFFFAOYSA-N 448.939 5.148 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)CC1 581081167 KOXVYLWQHCQCIA-UYAOXDASSA-N 442.485 5.003 30 20 IKED CC(C)(C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl)c1cc(F)cc(C#N)c1 583462626 RBAHAGDQUOOIBP-UHFFFAOYSA-N 435.886 5.519 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC2(CCC2)c2c(F)cccc21 586850744 HFMKDYXWCHINPR-ITGUQSILSA-N 438.387 5.687 30 20 IKED O=C(CCc1ccccc1OC(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 589320831 REJUZNFGIFTLFH-TXEJJXNPSA-N 437.302 5.107 30 20 IKED N#Cc1cc(Cl)c(C(=O)NCCc2c[nH]c3cccc(Br)c23)c(Cl)c1 589958491 HWZIEQWQNPGMLE-UHFFFAOYSA-N 437.124 5.081 30 20 IKED Cc1ccc(C)c(C(=O)c2ccccc2C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 591257467 ZRSOUWFWRQNYPO-UHFFFAOYSA-N 438.527 5.090 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccccc2)nc1)c1nc2cc(C(F)(F)F)ccc2s1 603627412 IGGIZRBRJXVLGD-INIZCTEOSA-N 439.418 5.992 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3nc(-c4ccc(Cl)cc4)no3)cn2)cc1 603764784 MBXKUBMJOPHOBY-UHFFFAOYSA-N 445.866 5.020 30 20 IKED CCN(C(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C)[C@@H](C)c1ccc(C#N)cc1 603956168 KBPVIZYLQVAMDK-INIZCTEOSA-N 435.524 5.543 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 604459256 QRLYVKFXQYLIHZ-KRWDZBQOSA-N 449.526 5.244 30 20 IKED Cc1nc(COc2ccccc2C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cs1 604513989 MLLXUBCTVTUJPP-UHFFFAOYSA-N 432.530 5.278 30 20 IKED CCOc1ccc([C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c2ccccc2)cc1 608918122 FMURIRAMMKUWNF-SANMLTNESA-N 427.548 5.667 30 20 IKED Cc1cc(C(=O)Nc2cc(C#N)ccc2OC(F)F)c2cc(Br)ccc2n1 609067384 XUXWXAAQWXKYRY-UHFFFAOYSA-N 432.224 5.031 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cn2cc(Cl)ccc2n1 609078413 PCNKCBHAVMLJPU-UHFFFAOYSA-N 445.910 5.069 30 20 IKED COCCN(Cc1cccs1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609078803 OWUYMKOSHWQVSG-UHFFFAOYSA-N 435.549 5.188 30 20 IKED Cc1nc(-c2c[nH]c(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)c2)cs1 609171836 FVQRRVBIJCNJPZ-QFIPXVFZSA-N 428.517 5.020 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl 609212691 NRJNXFGLSPQTHT-UHFFFAOYSA-N 440.975 5.382 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)NCc1ccc(C#N)cc1F 609293701 UWKCOIJENZBKQM-CYBMUJFWSA-N 428.920 5.343 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 609437047 MELROBGPDSRLHV-RBUKOAKNSA-N 435.618 6.938 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1 609438710 UGFPAKBWOXIWFA-LSDHHAIUSA-N 449.498 5.258 30 20 IKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 609509183 QSPHLLCLOHHXJV-UHFFFAOYSA-N 439.581 5.033 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCO[C@@H](c4ccc(F)c(F)c4)C3)cc2)cc1 609517807 SOXAUHNJZQGTBP-XMMPIXPASA-N 434.442 5.037 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccccc3)CC3CCOCC3)cn2)c1 609553633 FFOSYKLCDLVOTI-UHFFFAOYSA-N 442.519 5.206 30 20 IKED Cc1ccc(-c2csc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)n2)s1 609662565 YQWAILQEIILFTH-UHFFFAOYSA-N 447.589 5.826 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)c1 609725134 HOAQNHJGBPSWLM-FQEVSTJZSA-N 436.895 5.418 30 20 IKED Cc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(C)n1CC(F)(F)F 610313517 QQLALSRHBYDNIR-UHFFFAOYSA-N 431.389 5.723 30 20 IKED N#Cc1ccc(NC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)cc1C(F)(F)F 610331211 GYTWATIDOKUMBU-UHFFFAOYSA-N 441.413 5.039 30 20 IKED N#C[C@H](NC(=O)c1sc(-c2ccccc2)nc1C(F)F)c1ccccc1Br 611186254 XKYCFTDZDUVITK-AWEZNQCLSA-N 448.292 5.505 30 20 IKED CCn1c(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)nc2cc(C#N)ccc21 611211479 AVLPLODOUNFIRK-UHFFFAOYSA-N 435.509 5.123 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cnn1-c1ccc(F)cc1F 613407316 QPFJQAKYRWAVGY-CYBMUJFWSA-N 428.851 5.212 30 20 IKED CC(C)(C#N)c1ccc(CN(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)cc1 614171420 ZQQGOOHCSLUBET-UHFFFAOYSA-N 427.548 5.175 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(C(=O)N[C@@H](C)c3cccc(C#N)c3)C2)n1 618467904 NZMNINAIRPAOHM-PXNSSMCTSA-N 446.576 5.341 30 20 IKED O=C(NCc1ccccc1C(F)(F)F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 621414180 LPPJZRWFOTUZOY-GHMZBOCLSA-N 436.318 5.414 30 20 IKED Cc1nc(CSc2ccccc2C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cs1 641906715 RCTMIHLJWILYCY-UHFFFAOYSA-N 446.519 5.544 30 20 IKED C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 669815377 LYPDIRAQJXSRPM-QZTJIDSGSA-N 447.514 5.268 30 20 IKED N#C[C@@H](C(=O)c1cnc(-c2ccccn2)s1)c1nc2cc(C(F)(F)F)ccc2s1 677559055 CAEKQLXCMQHOPU-NSHDSACASA-N 430.436 5.324 30 20 IKED CC(C)(C(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)c1ccc(OC(F)(F)F)cc1 682797372 GRTBQLZVTXIDIV-VXGBXAGGSA-N 437.302 5.062 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 684224639 SSZNPEGUQCALHR-UHFFFAOYSA-N 447.526 5.075 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)nc3c2cnn3[C@H](C)CC)cc1 726321485 KITKWLCSRAVROO-LUQKVYGDSA-N 431.540 5.185 30 20 IKED N#CCOc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 727933634 BWTSVBSSVAXZPX-JOCHJYFZSA-N 430.895 5.220 30 20 IKED C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)/C=C/c1cccc(Br)c1 730997599 LDALBSGFAGSQFD-HBWSCVEGSA-N 437.384 5.113 30 20 IKED CN(C)C(=O)Sc1ccccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 731417863 SIIHJFIIKMPPNT-UHFFFAOYSA-N 431.517 5.163 30 20 IKED Cc1cc(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)c(C)n1-c1ccc(C#N)cc1 733778772 HCAJDPBZOAHDPU-UHFFFAOYSA-N 431.389 5.298 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)c1 733799450 NRNCPRTVCSPGCZ-SFHVURJKSA-N 440.956 5.390 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)NC2(c3cccc(Br)c3)CCC2)c1 733848466 WUFKEBNJIBMREA-LJQANCHMSA-N 442.357 5.009 30 20 IKED CCCOc1nc2ccccc2cc1/C=C/C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 734082936 JOAZAKLAEKVRHK-AQKVLALTSA-N 440.528 5.432 30 20 IKED Cc1ccc(-c2ncc(C=Nn3c(S)nnc3-c3ccc(OC(F)F)cc3)s2)cc1 734295128 RTQLNBPNIHHRTO-UHFFFAOYSA-N 443.504 5.149 30 20 IKED C=CCn1c(-c2ccccc2F)nn(CN2CCC(Oc3ccc(C)cc3)CC2)c1=S 735071200 WFAGQVFJOWWHSD-UHFFFAOYSA-N 438.572 5.216 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 741638260 AKXBWNCNOXMEJU-UHFFFAOYSA-N 442.899 5.366 30 20 IKED C=C(C)COc1cc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)ccc1OC 747042775 PIYMAEBNINOXKE-UHFFFAOYSA-N 449.363 5.386 30 20 IKED CC(C)Cn1ncc2cc(C(=O)OCCC(C#N)(c3ccccc3)c3ccccc3)cnc21 748403782 KRLZWABEYULJPH-UHFFFAOYSA-N 438.531 5.144 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC2CCC(N3CCCCC3)CC2)cc1 751049043 FHGYAKYHAIDEQY-UHFFFAOYSA-N 433.621 5.377 30 20 IKED N#CCSc1ccccc1C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 751945966 TVAAHVPNHOFSNA-UHFFFAOYSA-N 434.392 5.003 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1C#N 752177138 SDTIUDVMHKHUEC-UHFFFAOYSA-N 449.492 5.084 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(OC)c(-c3ccccn3)c2)cc1 754818134 NHCOXGJNEDFRBH-JOCHJYFZSA-N 427.504 5.061 30 20 IKED COc1ccc(C(F)(F)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 755885256 XXEXNPNMXWDECE-UHFFFAOYSA-N 430.398 5.450 30 20 IKED CCOc1ccc(Oc2ccccc2NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 761817880 UXTGDMLTMPKWKN-RUZDIDTESA-N 443.503 5.355 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)Nc3ccc(Oc4ccccc4Cl)cc3)CCO2)c1 761825970 UDJNZGHEBURNRG-HSZRJFAPSA-N 433.895 5.609 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN(Cc2ccccc2C(F)(F)F)C2CC2)c1=S 764896918 HNSXVLURZJWRNP-UHFFFAOYSA-N 445.514 5.303 30 20 IKED C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 765935999 PDFOVNROYZDGPD-CJAUYULYSA-N 447.510 5.104 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(N2CCCc3ccccc32)cc1 769943764 ASEXECIJOYCMTF-JOCHJYFZSA-N 439.515 5.131 30 20 IKED C[C@@H]1CC[C@H](C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C1 776547680 VXANZTRPCXNDKQ-RQJHMYQMSA-N 442.240 5.407 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 780675923 WHTRBTKLKAPCRF-KUHUBIRLSA-N 436.512 5.439 30 20 IKED N#C[C@@H](C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)c1nc2cc(C(F)(F)F)ccc2s1 786321643 GSKAHEFNHUEHPK-MXWKQRLJSA-N 426.872 6.010 30 20 IKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccsc1 790735776 KHVFTEZSINLIFL-QGZVFWFLSA-N 446.985 5.056 30 20 IKED N#C[C@@H](C(=O)[C@H]1CCC(=O)c2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 793122554 CBYIBJTXPXXVEV-RDJZCZTQSA-N 441.339 6.053 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(C)c(Br)c(Cl)c1 793127715 XNHBGGTZEPQHNS-MRXNPFEDSA-N 447.760 5.497 30 20 IKED C#C[C@H](NC(=O)N1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1)c1ccc(F)cc1 812935210 ZUIHOVATELWMIN-NQIIRXRSSA-N 449.551 5.221 30 20 IKED CC(C)(C)C(=O)/C=C1/SCC(=O)N1Cc1cn(-c2ccccc2)nc1-c1ccccc1 850704168 SZUHEONRSDUMMU-OEAKJJBVSA-N 431.561 5.071 30 20 IKED N#Cc1ccccc1OCc1cccc(-c2nc(-c3ccc(Br)cn3)no2)c1 904847891 SOPITRYNRCDALK-UHFFFAOYSA-N 433.265 5.012 30 20 IKED C=CCOc1ccc(C(=O)OCc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)cc1 913365485 DRTGSXVQUCVQSP-UHFFFAOYSA-N 436.533 5.366 30 20 IKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915087532 UYAVTSBSPYUWQA-DVECYGJZSA-N 443.572 5.349 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=S)Nc3ccc(OC(F)F)cc3)c2)cc1 916026341 YUROAJCRTXSBDX-UHFFFAOYSA-N 439.487 5.742 30 20 IKED COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)cc1 916137354 XAVQEGFBRLXZGD-LFYBBSHMSA-N 436.851 5.405 30 20 IKED Cc1nn(-c2ccccc2)c(Cl)c1C=Nn1cnnc1SCc1ccc(Cl)cc1 916546334 LXWWWKVHCIYVFW-UHFFFAOYSA-N 443.363 5.254 30 20 IKED C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916847331 OMKKKBDKQPQWIM-KSSFIOAISA-N 449.576 5.217 30 20 IKED COc1ccc(S[C@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916907849 XUJDJBHLGHVVTA-UTKZUKDTSA-N 446.528 5.316 30 20 IKED CC(C)N(CC(=O)[C@@H](C#N)c1nc2ccccc2s1)Cc1cccc(Br)c1 920090438 OUWLABKDBBNPJR-QGZVFWFLSA-N 442.382 5.146 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(OC(F)(F)F)cc3)n2)cc1 920144047 WUCVSDXVMGBGOY-QGZVFWFLSA-N 432.423 5.136 30 20 IKED Cc1ccc([C@@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2c(C)cccc2C)s1 920170392 KQEBPZGLWPUZHP-APWZRJJASA-N 441.622 5.035 30 20 IKED Cc1ccccc1-c1ncccc1C(=O)Nc1ccc(C2(NC(=O)CCC#N)CCC2)cc1 1788360774 DRQLHGVAGKCTEJ-UHFFFAOYSA-N 438.531 5.109 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cccc(C)n3)CCC2)cc1 1789449499 SMXNTZTUIKQVNR-RFAWQRTRSA-N 429.564 5.306 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4c(F)cc(F)cc4[nH]3)CCC2)cc1 1791727405 MBILDRLLXKZKNC-UHFFFAOYSA-N 449.501 5.387 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccccc1C)C2 1798593004 COFCFLZJKDHIIC-KOUNCHBCSA-N 445.607 5.301 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CCc3ccc(F)c(F)c3)C2)CC1 1805194304 YDZCVFOCHPYYFP-UHFFFAOYSA-N 446.582 5.121 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2ccc(C)cc2)[C@@H]1c1cccnc1 1810501186 AFNVQEQZGJIJIK-AOYPEHQESA-N 447.623 5.021 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)ccc2F)n[nH]1 1814622332 RTMAIAGWOOKMRM-JXFKEZNVSA-N 444.938 5.277 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccsc2)CC1 1825298426 WTIFWJLJLDWGFM-BREAQWACSA-N 426.626 5.149 30 20 IKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 1830771099 RAIGXQBYYBXNGL-DEOSSOPVSA-N 449.982 5.067 30 20 IKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cc3cccc(F)c3)cc2)CC1 1832734444 USAYPGLQPAXLOE-SANMLTNESA-N 448.582 5.226 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)C1 1841417048 UWZBRIHKQWDLPW-VXKWHMMOSA-N 429.004 5.051 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(F)cc2)[n+]2ccc(C(C)(C)C)cc2)c(C)n1C 10829208 KMDNMKMDNRUCLD-UHFFFAOYSA-O 438.592 5.417 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)CCC2)=C(/S)Nc1c(C)cccc1C 11153684 LLZWSLVJARKMPH-UHFFFAOYSA-O 429.609 5.693 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)COc1c(Cl)cccc1Cl 16013730 OPRRTRIJANIBIR-UHFFFAOYSA-N 445.096 5.011 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)[nH]c1C)=C(/S)Nc1ccc(Cl)cc1Cl 23604238 PJOMVPGVAFKTKO-UHFFFAOYSA-O 447.411 5.839 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 30503730 SUONRKYDEAUDGA-OAQYLSRUSA-N 443.528 5.079 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(Cl)cc3)n2)nnc1-c1ccc(F)cc1 32388878 NPFLYOSQXDEBNV-UHFFFAOYSA-N 426.904 5.871 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@@H](CC)c1ccc(Cl)cc1 32785938 ZNGMVJGLTVIENR-FQEVSTJZSA-N 441.000 5.068 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1N(C)Cc1ccccc1 72038655 UHYFHPXBHXPEGJ-UHFFFAOYSA-N 429.520 5.001 30 20 IKED COc1ccccc1-c1nnc(S[C@@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)o1 96931250 OHTXOTIBCSORPK-JTMDUIFQSA-N 435.549 5.106 30 20 IKED Cc1ccc(NC(=O)C(=Cc2ccc(O[C@@H](C)C#N)cc2)C(=O)Nc2ccc(C)cc2)cc1 110970841 QUFODWYQYYYKCJ-FQEVSTJZSA-N 439.515 5.255 30 20 IKED N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1 302852149 ZETMRIPFMPZLFR-RUZDIDTESA-N 448.526 5.031 30 20 IKED Cc1noc2nc(C(C)C)cc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)c12 302993074 SIHLEOKYJIUVKX-UHFFFAOYSA-N 439.475 5.031 30 20 IKED C=C(C)CN1CCC(NC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1 303248628 FAHXMJTZSDEQRU-UHFFFAOYSA-N 446.378 5.016 30 20 IKED O=C(Nc1cc(F)c(F)c(F)c1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 303834182 HTSSNQLCWHPKMP-UHFFFAOYSA-N 447.253 5.238 30 20 IKED CCCc1c(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cnn1-c1ccc(F)cc1 429606673 BWGXMQXWWMHDNY-FYYLOGMGSA-N 431.515 5.268 30 20 IKED N#Cc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)c(Cl)c1 430362285 DVVWZINPHDBUOY-UHFFFAOYSA-N 430.817 5.546 30 20 IKED CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 431889848 OMDWQVVCJUVHTF-FYYLOGMGSA-N 447.970 5.971 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2Cc3ccccc3O[C@H](C)C2)cc1 432848697 WYWOWTSXHFPXJO-QGZVFWFLSA-N 429.476 5.174 30 20 IKED CC(C)Oc1ccc(NC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)cc1C#N 435682060 LZYIGCRTCSFADR-UHFFFAOYSA-N 439.874 5.040 30 20 IKED CN1CCC[C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[C@H]1c1cccs1 438225847 ULDUNMLRMIUETB-CYFREDJKSA-N 446.576 5.617 30 20 IKED Cc1cccc(C(NC(=O)C(=O)Nc2ccccc2SCCC#N)c2cccc(C)c2)c1 438746399 JTRGAPUWBBJHAU-UHFFFAOYSA-N 443.572 5.154 30 20 IKED CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)NCC1CCC(C#N)CC1 442732984 AFTGXRJCQFJOCS-UHFFFAOYSA-N 427.552 5.011 30 20 IKED CCN(C(=O)c1c(F)cc(C#N)cc1F)[C@@H](c1cccnc1)c1csc2ccccc12 445772303 GVTZQGZNVYKXKS-QHCPKHFHSA-N 433.483 5.698 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1F)C1CCCC1 447025895 FIDVKWGELTVYMD-AOMKIAJQSA-N 439.556 5.064 30 20 IKED C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C 447391800 GYPLCBWIYOZKBA-UYAOXDASSA-N 432.442 5.186 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(C)=C(c2ccco2)C1 460776020 UYYVCHCBEHLXSP-URXFXBBRSA-N 430.552 5.376 30 20 IKED Cc1nn(C)c(Sc2ccccc2)c1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 463596656 OJSNBRZLYKCXBL-UHFFFAOYSA-N 440.528 5.796 30 20 IKED C[C@@]1(O)CCCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CC1 467938162 LQZJZQJRHHQFFQ-OAQYLSRUSA-N 433.430 5.138 30 20 IKED C[C@H](CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1cccc(C(F)(F)F)c1 470006776 UWMKQOYMNUBCEZ-MRXNPFEDSA-N 439.437 5.688 30 20 IKED CCN(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[C@H](C)c1cc2ccccc2o1 470530783 JDVFPPYWJNETQE-GOSISDBHSA-N 444.535 5.631 30 20 IKED N#Cc1cccc(-c2nnc(CNc3ccc(Oc4ncc(Cl)cc4Cl)cc3)o2)c1 471610828 OHMOWSXFBGGZRL-UHFFFAOYSA-N 438.274 5.714 30 20 IKED CC(C)(C)N(CC(=O)Nc1ccccc1SCC#N)Cc1ccccc1Br 474174966 ZUIZYRVWFPICGF-UHFFFAOYSA-N 446.414 5.304 30 20 IKED N#CC[C@@H](CC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)c1ccccc1 476288078 ONMBIEUSTGXZOG-KRWDZBQOSA-N 437.952 5.358 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)nnc1-c1cccs1 481389580 IVUVGPKVGOONHN-KBPBESRZSA-N 433.002 5.204 30 20 IKED C=CCn1c(SCc2nnc(-c3ccccc3Cl)o2)nnc1-c1cccc(OC)c1 481406396 WNNBISWGULTABE-UHFFFAOYSA-N 439.928 5.135 30 20 IKED C=CCN(C(=O)c1cccc(C(=O)N(CCC)CCC)c1)c1nc2c(s1)CCCC2 482369364 XDNJKOZXOCCGJR-UHFFFAOYSA-N 425.598 5.117 30 20 IKED Cc1ccccc1-c1noc(C)c1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 483983107 WKJGESSYGLOUPF-XMMPIXPASA-N 437.499 5.532 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cc1Cl 487061456 NZWPDTJILZTANI-PXNSSMCTSA-N 447.897 5.126 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@H](c4nc5c(s4)CCCC5)C3)o2)cc1 491157679 ZKHQEYZXLLXCOL-SFHVURJKSA-N 447.560 5.085 30 20 IKED Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 493343064 BXQCTLGVAKGADI-ZDUSSCGKSA-N 428.279 5.044 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 495120315 NEFORQZRYRIMLD-UHFFFAOYSA-N 425.435 5.420 30 20 IKED C[C@@H](c1cccnc1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 496333870 UGJBYCITDQVXDD-ZDUSSCGKSA-N 445.470 5.244 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)c1cccc(NC(=O)c2cccs2)c1 500991752 AKOBYJATTBQHAG-UHFFFAOYSA-N 427.485 5.312 30 20 IKED CCCn1c(SCC(=O)N(CCC#N)c2cccc(C)c2C)nnc1-c1cccc(C)c1 501524739 SIJIXYZFZPNKIO-UHFFFAOYSA-N 447.608 5.319 30 20 IKED C[C@@H](Nc1cccc(OCCCC#N)c1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 503994743 QSXDBBZIPXGQBA-QGZVFWFLSA-N 448.548 5.122 30 20 IKED C=CCN(Cc1cccs1)C(=O)CSc1nnc(-c2ccccc2)n1[C@H](C)CC 504315111 SQFJAOMRZSGBDL-QGZVFWFLSA-N 426.611 5.285 30 20 IKED CSc1nc(C(C)C)nc(C)c1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 505346800 YEUXQLOKGPMRPG-NRFANRHFSA-N 446.576 5.204 30 20 IKED COc1ccccc1N1CC[C@H](CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 506316142 NFNYSBQGWSNEDK-LJQANCHMSA-N 442.519 5.007 30 20 IKED CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 506490814 SVVJAOGCWKGDAS-UHFFFAOYSA-N 426.263 5.213 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@@H](COc3ccccc3)C2)cc1 506953960 QSZHWKIEVNTFSA-JOCHJYFZSA-N 441.531 5.264 30 20 IKED C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(OC(C)(C)C)CC1 508489737 OKJJXGMIVQTGGJ-UHFFFAOYSA-N 436.556 5.087 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c23)cc1 509507849 BZLWWEVRSVOWEJ-UHFFFAOYSA-N 441.491 5.066 30 20 IKED C=CCN(C(=O)Cc1cc(Cl)ccc1OC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 512070199 DNXDPSAENQMYOU-UHFFFAOYSA-N 443.912 5.142 30 20 IKED N#CCCCOc1cccc(NC(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c1 512919286 YJHJIWCHHKXEOD-QGZVFWFLSA-N 443.372 5.396 30 20 IKED N#C[C@@H](C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cn1 513209305 AKRBUHDCHLICRG-GFCCVEGCSA-N 426.238 5.628 30 20 IKED N#CCCCOc1cccc(NCC(=O)Nc2ccc(N3CCc4ccccc43)cc2)c1 515659496 UKCJHCCHLFMDAP-UHFFFAOYSA-N 426.520 5.114 30 20 IKED N#C[C@@H](NC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1cccc(C(F)(F)F)c1 518849100 QVEIRDRRWGZVAH-OAHLLOKOSA-N 427.407 5.570 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 519913869 SSQLKMMLSXGXPZ-HXUWFJFHSA-N 432.568 5.263 30 20 IKED C=CCN(Cc1ccccc1)C(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 520010336 GIEVGUJXDFSXDX-UHFFFAOYSA-N 441.325 5.153 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCCOc1ccccc1-c1ccccc1 520197207 AHFRBDVOSTVENH-LJQANCHMSA-N 431.561 5.948 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3s2)cnn1-c1cccc(Br)c1 520699382 NCOUFXBXUCRTRC-HNNXBMFYSA-N 437.322 5.043 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(Br)s1 520817693 ILGPPVWZRVZANS-GFCCVEGCSA-N 441.441 5.777 30 20 IKED C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)c2)C1 521700775 UUVVQCRLCJBIJB-QFQXNSOFSA-N 446.595 5.003 30 20 IKED Cc1ccc(OCCC(=O)Nc2ccccc2SC[C@H](C)C#N)c(Br)c1 521727592 XMCMUAJTHZHCQL-OAHLLOKOSA-N 433.371 5.417 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)NCCc3coc(-c4ccc(F)cc4)n3)c2)cc1 523149837 ASVANLITQBMZDW-UHFFFAOYSA-N 426.451 5.068 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1cc(C)sc1C 524317997 NBDOBAZFZLNUCE-UHFFFAOYSA-N 433.986 5.350 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCc2cc3ccccc3o2)cc1 525317569 FKQRKSVNBKHWEH-UHFFFAOYSA-N 427.479 5.398 30 20 IKED Cc1nn(C(F)F)c(C)c1CC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N 525349697 VAQSTJVJVXVBMX-UHFFFAOYSA-N 428.870 5.196 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cnn(CC(F)(F)F)c2)cc1Cl 532175241 ZEFQJPRURMDCRN-GOSISDBHSA-N 447.848 5.076 30 20 IKED CN(Cc1cccc(NCc2cn(CCC#N)nc2-c2ccccc2)c1)Cc1cscn1 532735604 QULPSQRDEPUCBU-UHFFFAOYSA-N 442.592 5.164 30 20 IKED CC(C)c1cc(Br)ccc1NC(=O)N1CCCN(c2ccccc2C#N)CC1 534076466 RZGPBYNZOIFRDY-UHFFFAOYSA-N 441.373 5.188 30 20 IKED CN(C(=O)c1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1)c1ccccc1 535992916 HCSPEBVBCQWIMT-UHFFFAOYSA-N 431.495 5.010 30 20 IKED COc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)sc1Br 536133256 IDVAQICVTXIWHF-UHFFFAOYSA-N 443.322 5.222 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 541636211 OMLQZLMOQKHGIU-RXVVDRJESA-N 437.433 5.402 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 549274973 TVQQDODVJBXPGG-YDHSSHFGSA-N 436.531 5.100 30 20 IKED O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)C1(CCF)CC1 558559919 ZKNBKCXVZFDVDI-LLVKDONJSA-N 425.266 5.584 30 20 IKED CCCN(C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H](C)c1cc2ccccc2o1 563721015 HGGIDANMOMWILC-ROUUACIJSA-N 449.576 5.765 30 20 IKED CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 567315929 KUZQUCUWOGWXGI-IVZQSRNASA-N 436.899 5.297 30 20 IKED N#CCCn1ncc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1-c1ccccc1 570902579 WBOQLCDTXORVPQ-LJQANCHMSA-N 441.560 5.093 30 20 IKED CC(C)c1noc(Cc2ccc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc2)n1 573223074 FOLUKHBGFCZBRD-FCHUYYIVSA-N 429.524 5.087 30 20 IKED CC(C)(c1noc(C[C@H](CC#N)c2ccccc2)n1)c1cc(Br)ccc1F 589150521 OZNWDQYYPPSAIC-HNNXBMFYSA-N 428.305 5.537 30 20 IKED Cc1cccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c1NC(=O)c1ccccc1F 592973539 AGKSPEDSAZDADX-QGZVFWFLSA-N 447.466 5.625 30 20 IKED CCOc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)c2cccc(C#N)c2)cc1OCC 608482053 WAGGBKXAEWEKJH-GOSISDBHSA-N 442.515 5.078 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCCc1ccc2c(c1)CC(=O)N2 609167084 USVKEAVEIKZXSD-UHFFFAOYSA-N 425.488 5.115 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1 609207268 YPTIVUAGCBJDAL-UHFFFAOYSA-N 445.519 5.208 30 20 IKED CC(C)Sc1ccc(Cl)cc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 609209988 WYVMLZKVWDEMLY-UHFFFAOYSA-N 443.016 5.452 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 609437112 PVSXMYSFODUESR-RTBURBONSA-N 446.576 5.938 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O 609556048 UCZUZWAUUWKUIW-DNVCBOLYSA-N 442.972 5.003 30 20 IKED Cc1ccc(-c2ncc(C(=O)N[C@@H](C#N)c3ccccc3Br)s2)c(C)c1 609591659 QENYVRWJPXVLBU-KRWDZBQOSA-N 426.339 5.184 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)cc1 609681907 CXCLFANRQBAFHP-RXVVDRJESA-N 427.504 5.769 30 20 IKED COc1cc(C#N)ccc1OCCSc1nnc(-c2cccs2)n1Cc1ccccc1 610117092 WVWNGRHDFKKIPJ-UHFFFAOYSA-N 448.573 5.106 30 20 IKED C[C@@H](CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1ccncc1 610722681 XPEPSKQEPXCRBK-ZDUSSCGKSA-N 430.455 5.152 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2nnc(/C=C\c3ccco3)s2)cc1 611218076 YWPLBLTVJHMRTK-QXMHVHEDSA-N 444.541 5.718 30 20 IKED Cc1cc(C)n(-c2ccc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2)n1 613404972 YHJZSWZKCHJUJW-QGZVFWFLSA-N 440.450 5.608 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)nc2sccc2c1=O 613439613 BSHAFCNEJLUSSS-CVEARBPZSA-N 449.601 5.155 30 20 IKED C=CCN(C(=O)CCc1nc(-c2ccc(C)c(F)c2)no1)c1nc(-c2ccccc2)cs1 615921415 PZVLTGLTAFUMNL-UHFFFAOYSA-N 448.523 5.459 30 20 IKED Cc1cc(C(=O)CCC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c(C)s1 617127263 HFYKUACTKZTHDG-UHFFFAOYSA-N 431.517 5.091 30 20 IKED COc1ccccc1-c1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cs1 622255345 RZNIMDHPNXMEOD-QGZVFWFLSA-N 442.525 5.304 30 20 IKED CN(C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1CC[C@@H](C(F)(F)F)CC1 642025771 UWXVCCRGRZCTIJ-AQAXSTTCSA-N 442.366 5.658 30 20 IKED C=CCOc1cc(OC)ccc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 680985755 RISLUSQAIJFKMI-HNNXBMFYSA-N 432.423 5.379 30 20 IKED CCC(CC)C(=O)N1CCC(=NOCc2csc(Cc3ccc(Cl)cc3)n2)CC1 725792605 QDVJAJGHBHRWRB-UHFFFAOYSA-N 434.005 5.319 30 20 IKED COc1ccc(C(=O)/C=C\c2c(C)nn(Cc3ccc(C)cc3)c2Cl)cc1NC(C)=O 726430306 XXXUFTQPEAAECJ-KHPPLWFESA-N 437.927 5.065 30 20 IKED N#Cc1ccc(NC(=S)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1Cl 726475007 OFRMWAMDVWQJAK-NRFANRHFSA-N 449.942 5.428 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C\c3cc(Cl)c4c(c3)OCCO4)SC2=S)cc1Cl 726626711 KDTSTIKREMYBJB-FRKPEAEDSA-N 449.340 5.042 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3)SC2=S)cc1Cl 726626756 KYPOORZULSJTCS-NDENLUEZSA-N 439.993 5.608 30 20 IKED C#CCOc1ccc(/C=C2\SC(=S)N([C@H](C)c3cccs3)C2=O)cc1OCC 726629998 RHISYQNRAPLLAB-RMENWYJGSA-N 429.588 5.121 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCc1nc(C)c(-c2ccccc2)o1 730395855 JIPNXONXGLJSNC-NRFANRHFSA-N 429.520 5.055 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(C3CCC3)C2=O)c1 730461005 JSHNGVVYOUGIBW-HXUWFJFHSA-N 441.984 5.470 30 20 IKED N#C[C@@H](C(=O)c1sccc1SC(F)F)c1nc(-c2c(F)cccc2F)cs1 730694557 MGTFMKFDQMVBOJ-QMMMGPOBSA-N 428.457 5.955 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1 731064509 YAAWUGNDUVCWGX-SFHVURJKSA-N 446.528 5.669 30 20 IKED C=CCN(CC1CCCCC1)Cn1nc(C2CC2)n(-c2cccc(NC(C)=O)c2)c1=S 732671449 UCLCNUGLBKAZMY-UHFFFAOYSA-N 439.629 5.265 30 20 IKED Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3cccc(COc4ccc(C#N)cc4)c3)o2)c1 734586284 PJWDOYAOZSOPFB-GOSISDBHSA-N 439.471 5.414 30 20 IKED CCC(CC)(NCn1c(C)nnc1-c1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 739851470 DSOTVSPWWHLJHQ-UHFFFAOYSA-N 428.367 5.695 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(CC2CCC2)[C@H](C)c2ccccc2)ccc1OC 741088038 KGEGVAJJSLJGAW-AUSIDOKSSA-N 435.568 5.449 30 20 IKED Cc1cc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)c(OC(F)F)cc1C 743426942 YNZXOMRURYDSJK-UHFFFAOYSA-N 439.487 5.534 30 20 IKED CC(C)c1nn(C)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc12 744034026 YFNXMIICTNPSBJ-CQSZACIVSA-N 435.336 5.026 30 20 IKED C#Cc1cccc(N(Cc2ccccc2)Cc2nnc(-c3c(-c4ccccc4)noc3C)o2)c1 744395061 PRGTXPIKTQHJAL-UHFFFAOYSA-N 446.510 5.888 30 20 IKED C=CCOc1ccc(/C=C/C(=O)N[C@@H](CC)c2nc(C(F)(F)F)cs2)cc1OC 744726095 WRMGGPNJPHOKMQ-KGXGESDWSA-N 426.460 5.016 30 20 IKED Cc1ccc(-c2ncc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)s2)c(C)c1 747112177 RYJOTLGLZWXIIT-HXUWFJFHSA-N 425.513 5.541 30 20 IKED CCc1ccccc1N(C(C)=O)c1nc(CON=C(c2ccccc2)C(F)(F)F)cs1 751964628 BVQOTVOVSNAMPS-UHFFFAOYSA-N 447.482 5.873 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(Br)c(Cl)c1Cl 754658047 JNZHYBOZABASTP-UHFFFAOYSA-N 439.096 5.572 30 20 IKED C[C@H](OC(=O)c1ccc(Cl)c(C#N)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 754921705 NRZRNZGFSRSJAQ-VIFPVBQESA-N 431.197 5.068 30 20 IKED N#CCCn1cc(C(=O)CN(Cc2ccccc2)C[C@@H](O)c2ccsc2)c2ccccc21 756904485 FOAHOLCOFZVMQE-RUZDIDTESA-N 443.572 5.035 30 20 IKED C[C@H](NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(Br)ncc1F 762733873 JOMLSVHGCVRZIM-CIUDSAMLSA-N 437.197 5.543 30 20 IKED C=CCn1c(-c2ccccc2C)nn(CN(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1=S 764943654 IIDOKFNFGVDLDW-ISKFKSNPSA-N 448.636 5.633 30 20 IKED CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccn1 766135460 GGNHSBWGBBKQNQ-HSZRJFAPSA-N 442.519 5.014 30 20 IKED C[C@@H](OC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)N[C@H](C)c1ccc(Cl)cc1 769546481 KZIDPLLMZBCOJR-IAGOWNOFSA-N 437.927 5.021 30 20 IKED Cc1ccc2nc(-c3cccnc3)cc(C(=O)O[C@@H](C#N)Cc3ccc(F)cc3F)c2c1 774310696 QNAQDZAOGASEJY-LJQANCHMSA-N 429.426 5.175 30 20 IKED CC(C)(C#N)CCCOC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 783984205 RIMISUNKULSJBT-UFTDPOHCSA-N 439.440 5.982 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cnn(C(C)C)c2C)cs1 787186882 PFQWPRPTZZIIBC-JXMROGBWSA-N 428.945 5.463 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])cc2)c1 790550890 HQVNOVKUMVWKCQ-UHFFFAOYSA-N 439.830 5.019 30 20 IKED C=CCN(CCC#N)Cn1nc(-c2ccc(Cl)cc2Cl)n(Cc2ccco2)c1=S 793560367 KFIDULJQILMQCP-UHFFFAOYSA-N 448.379 5.388 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)nc1 796651602 QSQFSIBZJJRVRM-HNNXBMFYSA-N 442.928 5.111 30 20 IKED C=CC[C@H](OC(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)c(Cl)c1 797554141 QCZSQLXCFAPKRT-DJJJIMSYSA-N 427.349 5.361 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(C(F)(F)F)cn1)[n+]1ccc(C(C)(C)C)cc1 804603541 GJEAIBPADCSMOF-UHFFFAOYSA-O 436.523 5.062 30 20 IKED N#Cc1sc(N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)nc1Cl 804620241 LVTSGDLLCFUVSN-LLVKDONJSA-N 441.784 5.284 30 20 IKED C#C[C@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccc(Cl)cc1F 806224591 MLWAYWLJHWVPEI-KRWDZBQOSA-N 446.265 5.474 30 20 IKED CC(C)(C)OC(=O)NCCC[C@H](Nc1nc(C(F)(F)F)ccc1C#N)c1ccccc1 811869088 CKNLRXIIHXFWJI-KRWDZBQOSA-N 434.462 5.430 30 20 IKED C[C@@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccccc1NC(=O)c1ccccc1 815928711 QBUSVXMOQGCZMG-CQSZACIVSA-N 439.393 5.142 30 20 IKED Cc1nc2sccc2c(=O)n1N=Cc1ccc(-c2ccccc2Br)s1 912804354 DXHZBFBZNRVLGM-UHFFFAOYSA-N 430.352 5.140 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1 915098603 YSSNLTVBKNLYQS-GUYCJALGSA-N 444.343 5.084 30 20 IKED N#C[C@@H](C(=O)CCCc1ccc(Br)s1)c1nc(-c2ccccc2)cs1 915101992 MIBMNSZODKWLDT-HNNXBMFYSA-N 431.380 5.833 30 20 IKED Cc1oc2c(C)c(OC(=O)CSCC#N)ccc2c(=O)c1Oc1ccccc1Cl 915151923 REIMUZISUFEVID-UHFFFAOYSA-N 429.881 5.018 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cc4ccccc4cc3NC(=O)C3CC3)cn2)c1 915198639 MJWBXZYALMCQON-UHFFFAOYSA-N 448.482 5.500 30 20 IKED CCOc1cc2c(cc1CNC(=O)Nc1ccc([C@H](C#N)c3ccccc3)cc1)O[C@@H](C)C2 915352841 NWTWZYBZMPXDMK-MHECFPHRSA-N 441.531 5.386 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC([C@H](O)c3ccccc3)CC2)cc1 915353451 NNTZRBIPUUVOHT-IZZNHLLZSA-N 425.532 5.320 30 20 IKED CC(C)Oc1cccc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 916686452 LNWUYGJEZVWQFG-UHFFFAOYSA-N 429.520 5.441 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc(F)cc2)s1 916902232 WNUDDVLSJYZDMY-OAHLLOKOSA-N 442.899 5.486 30 20 IKED COc1ccc2c(CC(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)coc2c1 916912479 ZNQVINZAACRJJU-NRFANRHFSA-N 440.455 5.124 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(NC(=O)c2cccs2)cc1 916916590 WVCZDKUQWDQOPR-HXUWFJFHSA-N 439.496 5.115 30 20 IKED CCCCc1ccc(C(=O)CCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 916931877 OQUIIMBXGWDXMX-GOSISDBHSA-N 445.346 5.646 30 20 IKED N#C[C@H](C(=O)c1c(Cl)nc2ccccn12)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996656 NIHRBCAHAIZPGV-GFCCVEGCSA-N 447.734 5.908 30 20 IKED CC(=O)Nc1ccc(S[C@H](C)C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 917046861 VBDHIPLSLQZJHG-BZNIZROVSA-N 429.954 5.265 30 20 IKED N#C[C@@H](C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc2cc(Cl)ccc2s1 917047506 YVXSXEAQUJVGAX-KRWDZBQOSA-N 443.915 5.294 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCCNC(=O)OCc1ccccc1 919893957 SXDOHGUXPJVRME-UHFFFAOYSA-N 443.503 5.304 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)(C)C)cc4)cc3)CCC2)C1 1790684599 QFBPWNJJOHHFBM-UHFFFAOYSA-N 432.564 5.578 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3c(Cl)cccc3OC)CCC2)cc1 1791730159 LGDSGSKXFXGIOB-UHFFFAOYSA-N 438.955 5.290 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C4CC(C)(C)C4)CCC3)cc2)c1 1792126955 OSIIRIRPMZYALS-SFHVURJKSA-N 429.564 5.498 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(C)cc2)[C@H]1c1cccnc1 1802501392 MZGFMVMGCGITKH-AHWVRZQESA-N 447.623 5.021 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1 1821048249 AINGRNCJUUKBQU-JOCHJYFZSA-N 430.508 5.084 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)ccc2OC)CC1 1823754830 DFSUBZFTNOOTOA-JOCHJYFZSA-N 444.591 5.060 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSc2c(C)cccc2C)CC1 1831373412 OCSJRJSSULFHDD-JTHBVZDNSA-N 442.669 5.227 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(F)cc2F)CC1 1831374589 QZMONZOFVLNWFB-YCRPNKLZSA-N 438.946 5.064 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 1832028656 UAYREGVIWUIXOQ-VNSJUHMKSA-N 440.672 5.406 30 20 IKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3c[nH]c4cc(C)ccc34)CC2)C1 1832960172 ADUBZNZYIHQSAD-QGVYAHRCSA-N 445.607 5.075 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccc3c(c2)CCCC3)c(C)s1 10168255 YPLUOQUSKTUJIE-UHFFFAOYSA-O 449.665 6.199 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1)=C(/S)Nc1ccc(OC(F)F)cc1 10172719 CAEBBSQMPWWMCB-UHFFFAOYSA-O 445.486 5.328 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2ccccc2Cl)cc1 10826167 MPFAJVMLDGQXGI-UHFFFAOYSA-O 436.409 5.956 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2ccccc2)cc1F 14872456 CBGUATVSZWZQMJ-UHFFFAOYSA-O 434.343 5.779 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1CN(C)C1CCCCC1 58415243 JWQQMFVLRFOWSI-UHFFFAOYSA-N 434.584 5.003 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N1CCC(c2cccc3ccccc23)CC1 58725651 CRORUYUZEHHXCI-UHFFFAOYSA-N 428.532 5.285 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 63394219 XCNKMXZXFHZFLA-UHFFFAOYSA-N 428.448 5.479 30 20 IKED C=CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2CC)nnc1-c1ccc(Cl)cc1 63429442 DDJOHRSHGOEOHP-UHFFFAOYSA-N 442.972 5.161 30 20 IKED Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)[nH]c2c1C(=O)CC(C)(C)C2 195589000 TVTOPTKXRNCRFB-UHFFFAOYSA-N 441.531 5.376 30 20 IKED CCN(C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)[C@@H](C)c1ccc(C#N)cc1 409802304 UDUGTTKCYBLSNZ-AWEZNQCLSA-N 431.483 5.729 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3ccc(OC)cc3)no2)nnc1-c1ccc(F)cc1 426616959 ZDEUWQVYJNLXCD-AWEZNQCLSA-N 437.500 5.182 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3ccc(OC)cc3)no2)nnc1-c1ccccc1C 428339018 AOZOXJDJDRTVOV-MRXNPFEDSA-N 433.537 5.351 30 20 IKED Cc1nc([C@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cs1 429171189 GOOYLJRDIZUMAT-SIKLNZKXSA-N 436.968 6.129 30 20 IKED N#C[C@H](C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)c1nc2cc(Cl)ccc2s1 431139736 RWMHYFIYAOQIET-GOSISDBHSA-N 431.904 5.437 30 20 IKED CN(C(=O)c1cccc(CC#N)c1)c1ccc(NC(=O)c2cccc(CC#N)c2)cc1Cl 432316428 WNQGMMPPHDHFDL-UHFFFAOYSA-N 442.906 5.001 30 20 IKED COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)N[C@H](CCCC#N)c1ccccc1 432825912 WFYDATQZQWFBSL-JOCHJYFZSA-N 448.567 5.268 30 20 IKED CCCc1c(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cnn1-c1ccc(C)cc1 433117619 ODOZBRQPIBEVFZ-UHFFFAOYSA-N 443.551 5.080 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)c2)c1 436098923 CNKYDQOBDUVTEM-UHFFFAOYSA-N 445.478 5.384 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Cl)cc(Br)c3)n2)cc1 437376027 LOZSKLNHBUYJFI-INIZCTEOSA-N 442.725 5.588 30 20 IKED COc1ccc(-c2ccc(CNC(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)cc1 438054333 CHDGGNKRAUTZJZ-SFHVURJKSA-N 431.561 5.936 30 20 IKED COc1ccc(Oc2ccc(NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cn2)cc1 438417176 DJJXQICOSLTEIN-UHFFFAOYSA-N 430.508 5.444 30 20 IKED Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)Nc1ccccc1SC[C@@H](C)C#N 439085513 KJFZQGBLKWQADX-LBPRGKRZSA-N 446.359 6.461 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@@H](CCC#N)c1ccccc1 439658045 JTJUIVJNHIAHCY-IBGZPJMESA-N 437.952 5.737 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Br)ccc3C)n2)cc1 442870092 FLEUBQZUWVZZDR-KRWDZBQOSA-N 427.323 5.380 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)c2ccccc21 444031758 NVBXIWZPJHYCCF-UHFFFAOYSA-N 435.377 5.400 30 20 IKED C=CC[C@H]1N(C(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)CCCC1(C)C 444904293 ZSNGHQARVQOEMP-JOCHJYFZSA-N 426.582 5.259 30 20 IKED Cc1cc(Cl)ccc1Cc1noc(C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 445588099 PKYBRUZONJRQSB-UHFFFAOYSA-N 449.898 5.126 30 20 IKED CC(C)(C#N)CC(=O)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 447201216 SDPUCKJYAWHIML-INIZCTEOSA-N 448.386 5.024 30 20 IKED CCNC(=O)N1CCc2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc21 460203793 KNMQUNAZAGBVGK-UHFFFAOYSA-N 442.544 5.054 30 20 IKED C=C(C)[C@@H](NC(=O)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1)c1ccc(F)c(F)c1 460877712 BSZDIPFVDHOAMD-NVXWUHKLSA-N 444.404 5.007 30 20 IKED C=CCN(Cc1cccs1)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCOC1 461595516 FRUKBGWENDWIFO-LJQANCHMSA-N 445.592 5.092 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H]2CCN(c3ccccc3F)C2)cc1 462636802 GKTDBVLIQBWCMB-NRFANRHFSA-N 445.563 5.246 30 20 IKED O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 464723417 AOYOFXCDBVZTOY-CHWSQXEVSA-N 443.322 5.190 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccsc3)C2)cc1Cl 467915263 CKNUKLRZHFKJSZ-UNMCSNQZSA-N 437.952 5.662 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H]1CCCN(c2ccccc2)C1 468817151 CLXBVKMPQJNUBY-FQEVSTJZSA-N 427.573 5.356 30 20 IKED C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(=O)Nc1cc(Cl)ccc1Cl 469340326 NSRBHOIVRPYOQT-AWEZNQCLSA-N 445.350 5.015 30 20 IKED COc1ccc(COCc2cccc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)c2)cc1 469350487 SYHVOIRUCIUSRX-UHFFFAOYSA-N 439.471 5.191 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCC(c4ncccc4Cl)CC3)c2)cc1 469949591 XIAAPKCMLCFPKM-UHFFFAOYSA-N 431.923 5.205 30 20 IKED COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 474438439 JVELEJFHOZUUJC-IBGZPJMESA-N 442.544 5.618 30 20 IKED N#CC[C@H](CC(=O)N(Cc1cccc(Br)c1)C1CCOCC1)c1ccccc1 476950350 HRUSCSSQZOULSS-HXUWFJFHSA-N 441.369 5.044 30 20 IKED C[C@@H](CC#N)NC(=O)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 479967452 XKFSJLCQYCSNEH-VIFPVBQESA-N 436.381 5.195 30 20 IKED Cc1ccc([C@H]2COCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)o1 480354095 GTBQJHFAXOFDSI-RBBKRZOGSA-N 435.911 5.502 30 20 IKED COCc1cc(CNC(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)ccc1F 482377464 PDUKLDQLRQIVQK-INIZCTEOSA-N 438.343 5.094 30 20 IKED O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)NC12CCC(C(F)(F)F)(CC1)CC2 488616104 BUXGWAAWOWGHTP-IUDNXUCKSA-N 430.339 5.523 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3nc4ccccc4s3)o2)cc1 489798026 PDYFIUXCHJSWMB-CYBMUJFWSA-N 438.534 5.030 30 20 IKED Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 490641331 PIXOGWQVXUJASA-HHHXNRCGSA-N 441.575 6.501 30 20 IKED C=CCOc1ccc(C(=O)N(CC)[C@@H](c2ccc(Cl)cc2)c2cccnc2)cc1OC 496468171 KPXXOVJIERFSCG-DEOSSOPVSA-N 436.939 5.560 30 20 IKED COCCOc1cccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 502493706 KVSKMELECSGJEP-UHFFFAOYSA-N 433.464 5.028 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)N(CCC(F)(F)F)Cc1ccccc1 504925926 SWSDWIVCHIMACN-UHFFFAOYSA-N 438.343 5.753 30 20 IKED Cc1ccc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc1NC(=O)c1ccccc1 505546361 FIYWWWQRCSTTMC-FQEVSTJZSA-N 438.314 5.549 30 20 IKED CC1(C)CN(C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)CC[C@@H]1C(F)(F)F 505810959 DNRYZQNNXDCFAM-AWEZNQCLSA-N 430.364 5.599 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)n1 506002316 MTBGDYHZQGHNDV-KRWDZBQOSA-N 446.507 5.976 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H]3Cc3cccc(F)c3)c2)cc1 509890428 LQSKGGBGRCHMPL-VWLOTQADSA-N 443.522 5.710 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ncccc2F)n1)c1nc(-c2ccc(Cl)cc2)cs1 509901424 QXYZDNVCRJBRLJ-CYBMUJFWSA-N 440.912 5.611 30 20 IKED C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1ncc(Cl)cc1Cl 510218824 VJLNVEGTFRKZNO-LBPRGKRZSA-N 429.332 5.441 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(c2nc(C(C)(C)C)cs2)CC1 511419987 AIENZQOMLUNQAK-OAQYLSRUSA-N 425.598 5.122 30 20 IKED C=CCN(Cc1cccc(C#N)c1)Cc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1 512044762 HMEIABZTKPISOZ-UHFFFAOYSA-N 436.968 5.541 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@]3(CC=CCC3)C2)cc1Cl 513046653 MUNBITDPZOEJRB-BKMJKUGQSA-N 447.966 5.283 30 20 IKED CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)c2cccs2)cc1 515142625 JJBYCDOKTOZPTE-OAQYLSRUSA-N 437.952 5.241 30 20 IKED CC(C)c1cc(C(=O)Nc2ccc(C#N)c(Br)c2)c2cnn(C(C)C)c2n1 515536765 LDGVWAUZYLCHLL-UHFFFAOYSA-N 426.318 5.022 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccc(Cl)cc4)c3)n2)cc1 516713962 MUHCUDQAFQHCTJ-IBGZPJMESA-N 429.892 5.011 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC[C@H]1c1ccccc1 518674993 VQRXYAPBDGONCP-SFHVURJKSA-N 447.482 5.013 30 20 IKED COc1cc(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)cc(OC)c1OC 519095000 RUAYMBQFLFIZTO-UHFFFAOYSA-N 436.895 5.084 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(N2CCc3ccccc3C2)cc1 519516217 CNQVDVQNZSUMCQ-IBGZPJMESA-N 427.573 5.896 30 20 IKED N#Cc1ccc(NC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc1 520315732 KXFVLVNNEPSHOI-UHFFFAOYSA-N 444.394 5.284 30 20 IKED C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 521712105 KHGKNWJXBRMJBC-LLVKDONJSA-N 434.892 5.411 30 20 IKED Cc1c(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cccc1C(=O)Nc1ccccc1 523121705 QGQKGTBRFMENNI-UHFFFAOYSA-N 446.510 6.115 30 20 IKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cn3c(=O)sc4ccccc43)c2C#N)C1 525596621 SXXZYXYIEQDIGA-AWEZNQCLSA-N 439.606 5.176 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@@](C)(C#N)CCc4ccccc4)cc3)o2)c1 533503984 LTGCXBRKTSIBAE-HHHXNRCGSA-N 436.515 5.357 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)n1 535384593 ZEGWXNSVKPRCJV-INIZCTEOSA-N 449.333 5.314 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cc1 535450705 NSNAFPYHNJWBAE-UHFFFAOYSA-N 437.421 5.015 30 20 IKED Cc1nc([C@@H](NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c2ccc(Cl)cc2)no1 537792496 PIRLONTYCGPPST-QFIPXVFZSA-N 443.894 5.166 30 20 IKED CCN(CCC1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1)CC1CC1 537844801 BJXZNOCOHZDXAB-LJQANCHMSA-N 428.646 5.304 30 20 IKED COc1ccc(CN(Cc2nnc(-c3cccc(C#N)c3)o2)[C@H]2CCCC[C@H]2C)cc1OC 537854161 ALKONCOGTWABNW-GCJKJVERSA-N 446.551 5.206 30 20 IKED COc1ccc2ccccc2c1-c1cc(CNc2ccccc2S[C@H](C)CC#N)on1 539755348 MHBYCURCVNWTDR-QGZVFWFLSA-N 429.545 6.510 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(-c2cnn(C)c2)ccc1F 541114517 RLYWDRTWBKTGNF-UHFFFAOYSA-N 440.478 5.238 30 20 IKED CC[C@@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1nc(C(F)(F)F)cs1 541637543 ZUWQGCRWGMHEMA-CHWSQXEVSA-N 442.532 5.093 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)NCC2(c3ccc(Cl)cc3)CCCCC2)CC1 548906101 JSXUJACYYCAGSW-UHFFFAOYSA-N 436.987 5.204 30 20 IKED Cc1nc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)sc1Cc1cccc(Cl)c1 549519407 JQJLTWAPMPATKH-UHFFFAOYSA-N 436.846 5.234 30 20 IKED CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1 550592023 RDUGBNXWUOVRRX-QGZVFWFLSA-N 449.551 5.040 30 20 IKED COc1ccc([C@H](Cc2ccncc2)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 552065321 QSFRAJJCFYHYDF-VWLOTQADSA-N 440.547 5.069 30 20 IKED C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1csc([C@@H](C)OCC)n1 555270997 OWQXSTUISNYKQO-OAHLLOKOSA-N 431.993 5.365 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 557602260 DADQSFWDZQPMNM-UHFFFAOYSA-N 449.452 5.026 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)c1C#N 557989600 HZXPHLDDCZCALV-UHFFFAOYSA-N 434.540 5.193 30 20 IKED C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC2(CC1)OCCc1ccsc12 559006187 IEEVJXVDQSOLOZ-UHFFFAOYSA-N 446.576 5.397 30 20 IKED Cc1nc(C#N)c(N2CCC(c3nc(C(C)(C)c4cccc5ccccc45)no3)CC2)o1 560012144 RKUUVSHPFXDJQP-UHFFFAOYSA-N 427.508 5.101 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)c1C#N 560722536 OHZQDEBCFISNSG-OAQYLSRUSA-N 427.520 5.255 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccccc1SCc1cscn1 566404004 VFYYBAYUZQXGQU-UHFFFAOYSA-N 426.611 5.431 30 20 IKED Cc1c(Cl)cccc1N1CCCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 570787615 MZOKKYMQIPQCAU-UHFFFAOYSA-N 446.938 5.060 30 20 IKED CC(C)c1noc(Cc2ccc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cc2)n1 573223077 FOLUKHBGFCZBRD-YADHBBJMSA-N 429.524 5.087 30 20 IKED C[C@H](NCc1cn2ccc(Br)cc2n1)c1ccc(-c2cccc(C#N)c2)cc1 574847460 QSRCJFQTJTUUKE-INIZCTEOSA-N 431.337 5.486 30 20 IKED C=CCn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CC[C@H](c2ccccc2)C[C@@H]1C 576743753 URFZQGJFOZVERP-WAABAYLZSA-N 428.580 5.482 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3c4ccccc4CC34CCOCC4)cc2)cc1 579533170 KRNWWDIAGAQKQR-VWLOTQADSA-N 439.515 5.566 30 20 IKED O=C(Nc1cccnc1C(F)(F)F)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 583588827 RNCKNPTYKAOPOK-GFCCVEGCSA-N 445.285 5.934 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)nc2ccccc21 587988742 MXYDFIOHLLSOFE-AWEZNQCLSA-N 426.423 5.206 30 20 IKED C=CCN(Cc1cccs1)C(=O)N[C@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 589784508 MZNYMFOUIYIART-JOCHJYFZSA-N 436.577 5.447 30 20 IKED COc1cc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc(OC)c1OCc1ccccc1 603527074 AXJMFFWEMKNTGF-UHFFFAOYSA-N 444.531 5.205 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 603637475 MZBGDHWBMNWQDX-QHCPKHFHSA-N 439.540 5.724 30 20 IKED N#C[C@@H](C(=O)c1csc(Nc2ccccn2)n1)c1nc2cc(C(F)(F)F)ccc2s1 606146311 MREPBMXVAZQCHK-NSHDSACASA-N 445.451 5.400 30 20 IKED C=CCn1c(=O)c2ccccc2n2c(S[C@H](c3ccccc3)c3ccc(F)cc3)nnc12 607756159 DOYHZSCGXXSLBD-JOCHJYFZSA-N 442.519 5.251 30 20 IKED C=CCn1c(SCc2ncc(-c3ccccc3F)o2)nnc1-c1ccc(Cl)cc1 607758182 HRKITFSDBAYUDU-UHFFFAOYSA-N 426.904 5.871 30 20 IKED N#Cc1cccc(CNCc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)c1 608982414 PWNNAAVKFRSIKF-UHFFFAOYSA-N 443.348 5.463 30 20 IKED CC(C)(C)c1noc(CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)n1 609062423 PSJILBITCXRYLG-UHFFFAOYSA-N 438.915 5.042 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NCCc3coc(-c4ccc(F)cc4)n3)c2)cc1 609209660 HWRPAWHIYIXFMB-UHFFFAOYSA-N 442.450 5.509 30 20 IKED Cc1ccc(Cl)cc1N1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 609399460 ZNAAAEZUSOHBOM-MRXNPFEDSA-N 428.989 5.254 30 20 IKED CC[C@@H](C)N(Cc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 609494290 CIFIPNKJTOJJTL-LJQANCHMSA-N 426.520 5.643 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(OC[C@H]4CCCO4)cc3)cc2)cc1 609500808 BOUNGYLEPDIDRK-RUZDIDTESA-N 428.488 5.355 30 20 IKED COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)N[C@](C)(C#N)C2CCCCC2)cc1 609640656 BJUNPEPUDFBDMR-HHHXNRCGSA-N 442.563 5.069 30 20 IKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 609660833 CIXVBPPBBIUFEP-AHKZPQOWSA-N 440.543 5.377 30 20 IKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 609660834 CIXVBPPBBIUFEP-BDYUSTAISA-N 440.543 5.377 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC(c1cccs1)c1cccs1 610029132 SCPMKICZXMKKRQ-CQSZACIVSA-N 441.603 5.048 30 20 IKED Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1NC(=O)NC(C)(C)C 610124695 LCJFPURUPGPGEE-UHFFFAOYSA-N 443.507 5.226 30 20 IKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 611836287 SVVDAIFJUYRPFF-XXBNENTESA-N 449.942 5.029 30 20 IKED N#C[C@H](C(=O)c1csc(-c2cccc(Cl)c2)n1)c1nc2ccccc2n1C(F)F 613405015 ZODJQNRGMHQELD-CYBMUJFWSA-N 428.851 5.698 30 20 IKED CCc1c(NC(=O)N[C@@H](C)c2cccc(C#N)c2)cnn1-c1ccc(C(F)(F)F)cc1 616871044 YVEJNVNQCPZWKR-AWEZNQCLSA-N 427.430 5.208 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)c2c(F)cccc2F)nnc1-c1ccc(Cl)cc1 642046030 GQFMXJDORGXWEW-CYBMUJFWSA-N 448.926 5.032 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(NC(=O)c4cccs4)cc3)n2)cc1 642281266 USDVPFOLOBPSFD-IBGZPJMESA-N 443.553 5.922 30 20 IKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 667481880 KKJSENJNECJXJN-SKDRFNHKSA-N 437.302 5.340 30 20 IKED Cc1ccc(OC(F)F)c(CNC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 674931876 CDFXIMMXSYQITF-RYUDHWBXSA-N 448.354 5.305 30 20 IKED O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 681490098 NJAOGNGFCYOPDW-GARJFASQSA-N 442.709 5.326 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=S)Nc3ccc(C#N)c(Cl)c3)c2)cc1 726469804 SGQKLQJEODNNGC-UHFFFAOYSA-N 432.936 5.666 30 20 IKED COc1ccc(N2C(=O)/C(=C/c3cccc(OCCCC#N)c3)SC2=S)cc1Cl 726984878 BNCYJMGMYUAZCC-UNOMPAQXSA-N 444.965 5.437 30 20 IKED COc1cc(C(C)=NNc2ccc(S(=O)(=O)Nc3ccccc3)cc2)ccc1SC 727061040 AKHYFDYUFXSBHV-UHFFFAOYSA-N 441.578 5.054 30 20 IKED COc1ccccc1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728062605 QGCMWJZRBGJDQV-MRXNPFEDSA-N 435.911 5.238 30 20 IKED Cc1ccc(-n2c(-c3ccccn3)nn(CN(CCC#N)CCC(C)C)c2=S)c(C)c1 728901392 ICZNUCXLGCPOCV-UHFFFAOYSA-N 434.613 5.301 30 20 IKED COc1cccc([C@@H](C#N)NC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)c1OC 729431555 CZRBDAGYIXDGRH-OAHLLOKOSA-N 448.331 5.129 30 20 IKED N#Cc1ccc(Oc2cccc(NCC(=O)Nc3ccccc3SC(F)F)c2)cc1 729675413 IOQMXRVNJBWNTE-UHFFFAOYSA-N 425.460 5.716 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nc(-c2ccccc2)cs1 730664362 GOLAGFBBCFVSSW-FDDCHVKYSA-N 438.556 6.348 30 20 IKED Cc1nc(-c2ccccc2)[nH]c1C(=O)/C=C/c1ccc(OCc2occc2C(=O)O)cc1 730948967 PMFZQKJRBNWIJA-FMIVXFBMSA-N 428.444 5.151 30 20 IKED CCc1cc(NN=C(C)c2cnn(-c3cccc(Cl)c3)c2C)nc(-c2ccccn2)n1 731558231 NRWZKDIXFLEQNF-UHFFFAOYSA-N 431.931 5.085 30 20 IKED CCOc1ccc(-c2nnc(S)n2N=Cc2ccc(Oc3cccnc3)c(C)c2)cc1 732711821 VITNDAWWPSHPRF-UHFFFAOYSA-N 431.521 5.010 30 20 IKED C[C@@H](Oc1ccccc1Br)C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 732901131 JSPWJHKUJPBVGG-UKRRQHHQSA-N 427.323 5.216 30 20 IKED C#CC[C@H](OC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)c1ccccn1 733693289 YQRSKUWTWAEWLV-NRFANRHFSA-N 449.304 5.018 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cccc(COc2cccc(F)c2)c1 734079879 XWIAEPNBKBHKTQ-DEOSSOPVSA-N 444.506 5.491 30 20 IKED N#Cc1ccc(NC(=S)Nc2cccc(C[S@@](=O)c3ccccc3)c2)cc1Cl 734385618 GLQNCFDFJQSBHL-MUUNZHRXSA-N 425.966 5.328 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(C)c(Oc2ccncc2)c1 734705697 ONPBGMCXQZNXCB-QFIPXVFZSA-N 427.504 5.268 30 20 IKED CC(C)OC(=O)NCc1ccc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 735174252 VPJPTRHEYLCGEJ-UHFFFAOYSA-N 444.491 5.629 30 20 IKED FC(F)(F)Oc1ccc(NC(=S)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 735246842 PMZWUYNZWYSOIN-UHFFFAOYSA-N 426.304 5.099 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=S)Nc1ccc(OC(F)F)c(Cl)c1 735626752 ITYAQMMZGHTMED-LLVKDONJSA-N 427.929 6.145 30 20 IKED C=C(Cl)CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)cc1 735969409 JBOYTGJNYIPOGR-LJQANCHMSA-N 445.947 5.155 30 20 IKED CN(CC1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1)C(=O)OC(C)(C)C 737836954 GJKOYZUZYAMVDW-UHFFFAOYSA-N 448.567 5.021 30 20 IKED CC(C)(C)c1ncc(/C=C\C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)s1 742625067 IKYRSYWAYPHXOH-KCNXZKISSA-N 431.561 5.414 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=S)NC1CCN(Cc2ccccc2)CC1 745724878 YZJWFMLDFSCCLQ-UHFFFAOYSA-N 440.616 5.104 30 20 IKED COc1ccccc1N1CCC(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 747533882 VPRGILQLRZEYLC-DEOSSOPVSA-N 440.547 5.141 30 20 IKED CC[C@](C)(CCCNC(=O)c1ccccc1SCc1ccc(C#N)cc1)C1OCCO1 747911329 FWPFEGFTRACLRW-RUZDIDTESA-N 438.593 5.150 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 748312930 SOYWAMZMHQYFKD-MVCQKVDPSA-N 443.613 5.588 30 20 IKED C=CCC[C@H](NC(=O)c1cc(N2CCOC2=O)ccc1F)c1ccc(C(F)(F)F)cc1 749949159 OEONPOMJQALNBA-IBGZPJMESA-N 436.405 5.238 30 20 IKED C=CCC[C@H](NC(=O)Nc1cc(NC(C)=O)c(F)cc1F)c1ccc(C(F)(F)F)cc1 750310741 FMXLFKTVWWHUJI-KRWDZBQOSA-N 441.400 5.771 30 20 IKED COc1cccc(/C(C)=C/C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 751825464 AEXKDLNTTUMXJY-LXKWBGADSA-N 426.472 5.238 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H](C[C@@H]3CCOC3)c3ccccc3)c2)s1 753064651 MNGZNSQDLCUWQF-CVDCTZTESA-N 431.561 5.254 30 20 IKED COC(=O)c1ccccc1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 755609881 FJHSQEALQCDIIE-INIZCTEOSA-N 445.327 5.322 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)O[C@@H](C)c2nc(-c3cccnc3)no2)cc1 757152745 VHTXICDWICUDCL-INIZCTEOSA-N 426.432 5.022 30 20 IKED C#CC[C@@H](NC(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccccc1 757631740 ZYXBCCNOXBTFJK-HOYKHHGWSA-N 429.495 5.203 30 20 IKED N#C[C@H](C(=O)CCc1nnc(C2CCCC2)o1)c1nc(-c2ccc(Cl)cc2)cs1 761050658 VUFLROXNYXURRY-MRXNPFEDSA-N 426.929 5.313 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN2CCC(Oc3ccc(C(C)C)cc3)CC2)c1=S 764902925 UCDAQXZUMDGFQO-UHFFFAOYSA-N 449.624 5.286 30 20 IKED N#C[C@H](C(=O)Cc1c[nH]c2cc(Br)ccc12)c1nc2ccccc2n1C(F)F 766263160 DEASHKYHPVMFMA-CQSZACIVSA-N 443.251 5.094 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1ccc(C)cc1 768401398 FBRCPCSKLSDMNM-HXUWFJFHSA-N 445.592 5.175 30 20 IKED N#C[C@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)C(=O)Nc1ccc(F)c(Cl)c1 769944068 CHJMQUPMGZJDSZ-SJWLEHQBSA-N 445.199 5.426 30 20 IKED Cc1ccc([C@@H]2NC(=O)N(c3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2=O)cc1C 771819616 QNATXWVVFQWABM-GMAHTHKFSA-N 429.907 5.410 30 20 IKED COC(=O)Nc1cc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)cc(C(F)(F)F)c1 774167582 YVPXVPAREMBEJQ-UHFFFAOYSA-N 425.432 5.367 30 20 IKED Cc1nc(Cc2ccccc2)sc1[C@H](C)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 777114254 HYUHUKKFUDLFPU-KRWDZBQOSA-N 432.593 5.048 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cccc(Oc2ccc(Cl)cc2)c1 778298021 OELRMLWBXZGENQ-FQEVSTJZSA-N 434.879 5.492 30 20 IKED N#C[C@@H](C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2)c1ccccn1 779197548 WUPLZKGUYHRSKT-JDIOCAPASA-N 430.392 5.380 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3ccccc3O[C@@H](C)C#N)cc12 780151737 OAITXKKHRHWAFA-ZDUSSCGKSA-N 436.924 5.592 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)[C@H](C#N)C(=O)N[C@H](CC)c2ccccc2)c1 787038830 DDZYJRICELCNMK-BJKOFHAPSA-N 426.516 5.342 30 20 IKED N#CCCn1cc(/C=C\C(=O)c2ccc3ccccc3c2OC(F)F)c(-c2ccncc2)n1 788348300 ARGZIBCWHRFMKG-CLFYSBASSA-N 444.441 5.509 30 20 IKED C#CCC1(C(=O)N2CCC(N(C(=O)C3(CC#C)CCCCC3)C(C)C)CC2)CCCCC1 788504559 BTXTXYFPVAYHSG-UHFFFAOYSA-N 438.656 5.162 30 20 IKED CCC(CC)c1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)NC2(C)CC2)cc1 789412859 VIGNPVDGUZQSNA-UHFFFAOYSA-O 438.617 5.001 30 20 IKED C=C(C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1ccsc1 790760539 YDQZWYGJAIFHDH-LJQANCHMSA-N 443.594 5.073 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1cnc2ccccc2n1 792108371 LUGMNWPMTNKNGD-OAHLLOKOSA-N 439.327 5.479 30 20 IKED O=C(C[C@H]1CCCOC1)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 793799785 JZTXDEBXRRGCKC-OTYXRUKQSA-N 437.302 5.261 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2c(-c3ccc(Cl)c(Cl)c3)noc2C)c1 797875526 CVACCFLEDLZINE-MRXNPFEDSA-N 444.318 5.568 30 20 IKED Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 800150387 NMCDGRDULBXWNL-UHFFFAOYSA-N 425.803 5.612 30 20 IKED C=CCOc1c(Br)cc(CNCc2cc(C)cc(Cl)n2)cc1OCC 800283184 NTQPEEDXBZDOSD-UHFFFAOYSA-N 425.754 5.059 30 20 IKED C#CC[C@@H](Cc1ccccc1)NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 803522540 GHCNXUPCVSHOMV-SFHVURJKSA-N 427.331 5.332 30 20 IKED CC(=O)Nc1cccc([C@H](C)OC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1 805864239 HXWGNQNWGZCHFJ-INIZCTEOSA-N 439.943 5.081 30 20 IKED N#Cc1c(F)cccc1/C=C1\CC2(CCOCC2)C/C(=C\c2cccc(F)c2C#N)C1=O 811691422 MRPMUMBVPOEYEG-AYKLPDECSA-N 430.454 5.335 30 20 IKED CC(C)Oc1ccc(-c2ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c(F)c2)cc1 817050526 SIZINNMOWWALNX-RUZDIDTESA-N 440.515 5.480 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(I)cc2)cc1 915087288 RLRYUKNDBILAQA-HXUWFJFHSA-N 438.268 5.199 30 20 IKED O=C(Nc1ccc(SC(F)F)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 915300190 FXNMNYSDYOHECE-JZYVYDRUSA-N 436.368 6.032 30 20 IKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(C#N)cc2)c1 916134141 CUDIKVFXLHGNSQ-WYMLVPIESA-N 435.483 5.324 30 20 IKED Cc1sc2ncn(N=Cc3ccc(Br)cc3F)c(=O)c2c1-c1ccccc1 916284045 IOXIZCOPFAKXGL-UHFFFAOYSA-N 442.313 5.217 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 916909846 VGXDHOWDZNACFH-NRFANRHFSA-N 449.551 5.048 30 20 IKED COc1cc(C(C)=O)ccc1OCCCC(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 916974553 LSGSNOXSCYFKTM-FQEVSTJZSA-N 448.544 5.365 30 20 IKED N#C[C@H](C(=O)C1(c2ccc(F)cc2)CCOCC1)c1nc2cc(C(F)(F)F)ccc2s1 920113293 UNXYZLMOGODZPG-MRXNPFEDSA-N 448.441 5.379 30 20 IKED Cc1cc(C)c([C@H](C)OC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(C)c1 920163977 PZPOFPYFMWAAAT-SFHVURJKSA-N 433.508 5.252 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccc4ncccc4c3)cc2)CCC1 1788908530 WLUKHPJAXAZOLR-UHFFFAOYSA-N 435.474 5.194 30 20 IKED CC1=CC[C@H](C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)CC1 1789114774 KCAQDDBRGGETFU-NRFANRHFSA-N 427.548 5.247 30 20 IKED N#CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCCCCCCc2ccccc2)[nH]n1 1816750043 GMXWLAZVZRWEQY-HSZRJFAPSA-N 449.599 5.289 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc3ccccc3c2)n[nH]1 1816826716 BKXYAGQYBIXVHD-MBSDFSHPSA-N 430.552 5.010 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3cccc(Cl)c23)n[nH]1 1819224576 CMAIINSLZQZENI-KUHUBIRLSA-N 439.947 5.063 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3cc(C)[nH]c23)CC1 1828828137 DJRNWQUUDCLCHB-ZCYQVOJMSA-N 447.623 5.478 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSc2c(C)cccc2C)CC1 1831373409 OCSJRJSSULFHDD-FYYLOGMGSA-N 442.669 5.227 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)ccc2OC)CC1 1832597760 LRYWWXSRNQYQEM-JOCHJYFZSA-N 444.591 5.060 30 20 IKED C=CCNc1nnc(SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)s1 11393616 UWYJZGNJRDAPPO-UHFFFAOYSA-N 447.010 5.711 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)nnc1C1CC1 12056076 KMHDTNAKUKGUFH-UHFFFAOYSA-N 440.956 5.518 30 20 IKED CC(C)(C)N1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 58430095 KFQUJMDUYMLTFX-UHFFFAOYSA-N 426.948 5.342 30 20 IKED CC[C@@H](C#N)Oc1cc(CNCc2ccc(-c3nc4ccccc4s3)o2)ccc1OC 237024033 ADPKMCNYHLYWMF-KRWDZBQOSA-N 433.533 5.536 30 20 IKED C[C@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1nc(-c2ccncc2)cs1 261472581 JUNGUPXTZVQQBR-KRWDZBQOSA-N 440.528 5.147 30 20 IKED C#Cc1cccc(N(Cc2ccco2)C(=O)Cc2csc(COc3ccc(C)cc3)n2)c1 303124708 AVIUGVJGCKMRCL-UHFFFAOYSA-N 442.540 5.381 30 20 IKED C[C@@H]1C(=O)Nc2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)ccc2N1C 426168111 OWGZFOZZAPCIEM-QRWLVFNGSA-N 444.922 5.025 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(F)cc2C(F)(F)F)cc1 428998817 KTOXBIXSPQZMIO-UHFFFAOYSA-N 428.385 5.742 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(C(F)(F)F)ccc1Br 432679332 OARNOSQGFFFGAV-LLVKDONJSA-N 443.288 6.114 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1)c1ccccc1 432866313 LHVLAFYITMMLCL-QHCPKHFHSA-N 444.510 5.564 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1)c1ccccc1 432916859 KGGJKGVNMJUDHN-RUZDIDTESA-N 440.547 5.216 30 20 IKED N#CCC[C@@H](NC(=O)N1CCC(Nc2cccc(Br)c2)CC1)c1ccccc1 434279008 XLFWRACKZQJZEH-OAQYLSRUSA-N 441.373 5.080 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)[nH]c2c1C(=O)CC(C)(C)C2 437468861 DDSJMBUIYOSTLQ-UHFFFAOYSA-N 431.467 5.534 30 20 IKED CC(C)CCN(CCC#N)C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 443946614 RNJVHUCNVPJDOJ-UHFFFAOYSA-N 437.931 5.869 30 20 IKED CC[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nnc2n1CCCCC2 444392704 BNJKJOTVLKYXSO-IBGZPJMESA-N 448.502 5.080 30 20 IKED Cn1ncc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1Cc1ccccc1 445204560 RLCXXRVBMCNGTF-JOCHJYFZSA-N 440.934 5.572 30 20 IKED Cc1nc(CNC(=O)c2ccc(COc3ccccc3C#N)o2)oc1-c1ccc(Cl)cc1 447268714 XAIOUGHXKHEARV-UHFFFAOYSA-N 447.878 5.277 30 20 IKED COCc1ccc([C@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)o1 461477766 GKBVBIPNYJOWBE-OAQYLSRUSA-N 445.548 5.007 30 20 IKED COc1ccc(-c2cncc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2)cc1 467068249 JSTIFVJLEKIGBH-NRFANRHFSA-N 445.931 6.024 30 20 IKED C=CCN(C(=O)[C@@H](C)CCOc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 467100554 JSUKUTHEHUDISO-KRWDZBQOSA-N 437.521 5.343 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(-c4ccc(F)cc4)s3)ccc21 469968983 ICIWBDYCDAGPCW-UHFFFAOYSA-N 433.508 5.389 30 20 IKED Cc1ccc([C@@H](NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)c2ccccn2)cc1 471862022 QLDNGSHZWIQXGR-QGPIEZSZSA-N 440.547 5.041 30 20 IKED N#CCCn1cc(C(=O)CN(CCc2ccccn2)Cc2ccc(F)cc2)c2ccccc21 472241684 RJRSVOIKXJCGNO-UHFFFAOYSA-N 440.522 5.017 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1cccc(Sc2ccc(Cl)cc2)c1)c1ccc(C#N)cc1 473234221 LSCOFJVCAJJDPV-OAHLLOKOSA-N 435.936 5.179 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)Nc1ccc(OC)c(Oc2ccc(C)nn2)c1 475560302 TYMYQWSJPGUZLJ-UHFFFAOYSA-N 432.524 6.082 30 20 IKED CC[C@H](NC(=O)N(C)C[C@@H](C)C#N)c1ccccc1OCc1ccccc1Br 477365435 OAHLGUGUPPKXJF-JXFKEZNVSA-N 444.373 5.280 30 20 IKED CCN(C(=O)CCc1ccc(C#N)cc1)[C@@H](c1cccnc1)c1csc2ccccc12 480972739 SCGURWOZAMITMV-SANMLTNESA-N 425.557 5.739 30 20 IKED N#Cc1ccc(OC2CCN(Cc3ncc(-c4cccc(Br)c4)o3)CC2)cc1 481765064 ILNRTHJMRGNDKB-UHFFFAOYSA-N 438.325 5.019 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NCc1ccc(C#N)c(F)c1 483706135 BGGOFZRNEBBYQZ-GFCCVEGCSA-N 430.346 5.743 30 20 IKED Cc1nnccc1NC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 484675415 VHPMJZIPBMRRJC-GFCCVEGCSA-N 446.273 5.248 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)N[C@H](Cc3ccccc3)c3cccs3)CC2)c(F)c1 497558989 BEOXHKOHHANNOO-JOCHJYFZSA-N 449.551 5.296 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 499812408 FFGABYAIVMVHOK-SCLBCKFNSA-N 446.359 5.651 30 20 IKED C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)o1 500123669 LPNIAUJTPRNHAS-ISWURRPUSA-N 436.562 5.161 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 500778465 GUEWQELBBIUDKZ-NRFANRHFSA-N 445.523 5.545 30 20 IKED COc1cccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1OC(F)F 501468744 SCKPWHCISMAWBB-UHFFFAOYSA-N 438.430 5.194 30 20 IKED CCN(CC)C(=O)c1ccc(NC(=O)Nc2cccc(OCCCC#N)c2)cc1Cl 502343367 QBKUGPYHFDDOAG-UHFFFAOYSA-N 428.920 5.149 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)NCC1(c2ccc(Cl)cc2Cl)CCCC1 502643856 YHEBCNVOTWBSTC-UHFFFAOYSA-N 446.378 5.143 30 20 IKED Cc1ccc(CN(Cc2ccco2)C(=O)Nc2ccccc2S[C@H](C)CC#N)s1 503221296 VCVYIFGLVYXLSW-QGZVFWFLSA-N 425.579 6.278 30 20 IKED N#CCCCOc1cccc(NC(=O)c2c(Br)cccc2Br)c1 507723585 MLTIHPWCPXDXPA-UHFFFAOYSA-N 438.119 5.146 30 20 IKED C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(c2ncc(C)s2)CC1 508496143 YDUBRZSPYWXVAW-UHFFFAOYSA-N 430.581 5.137 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1 510518844 QXSJMDBKOHKZNN-INIZCTEOSA-N 431.458 5.402 30 20 IKED CC(C)(NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1nc(C(F)(F)F)cs1 511552069 FXQUTOLLHKPODE-NSHDSACASA-N 443.388 5.529 30 20 IKED CC(C)(CCC#N)CNC(=O)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 513124289 QJDCRLUDPUQDFP-HSZRJFAPSA-N 439.003 5.087 30 20 IKED Cc1cc(Br)cc(C)c1NC(=O)c1cccc(COc2ccccc2C#N)c1 513495133 ZWILEJPZMUVKNN-UHFFFAOYSA-N 435.321 5.769 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 517474222 WTDABDZTAAAHJN-AUUYWEPGSA-N 433.936 5.336 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(COc2ccc(Br)cc2)o1 518123851 NMYCVORVDKGCSJ-UHFFFAOYSA-N 442.313 5.302 30 20 IKED C[C@H](SCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1nc(-c2cccs2)no1 519415361 KPBNRHVXADDURP-KGLIPLIRSA-N 444.607 5.625 30 20 IKED C=CCN(C(=O)[C@@H](C)Cc1cccc(F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 520547330 ZUQHYYUHGWNTRV-HNNXBMFYSA-N 425.485 5.255 30 20 IKED COc1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)ccc1OC(F)F 521366560 OGNZDNOVPSVSGJ-UHFFFAOYSA-N 439.418 5.282 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 522683681 WXLKBHFPXHBVMP-UHFFFAOYSA-N 446.322 5.447 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2csc(-c3c(F)cccc3F)n2)cc1 523582743 XYZISSQWWDYCPT-UHFFFAOYSA-N 437.393 5.165 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 523964185 VQAJZDRWWRTODB-DLLPINGYSA-N 438.593 5.182 30 20 IKED CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 524502604 RNLLYVUGGTZAJS-UHFFFAOYSA-N 429.476 5.096 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCC(OCC3CCCCC3)CC2)c1 525671895 KZNRUUCCLXEFSW-UHFFFAOYSA-N 432.564 5.339 30 20 IKED N#Cc1ccc(NC(=O)C(=O)Nc2cccc(OCc3ccc(Cl)cc3)c2)cc1Cl 527138518 QLVLVRFJWBLQBV-UHFFFAOYSA-N 440.286 5.021 30 20 IKED CCc1nc(-c2ccccc2NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)n[nH]1 534456854 BYFPNDVBBXDMMW-UHFFFAOYSA-N 443.894 5.604 30 20 IKED C=CCN(C(=O)c1cc(OC(F)F)cc(OC(F)F)c1)c1nc2c(s1)CCCC2 537199487 SVQCMNBLHYSPJP-UHFFFAOYSA-N 430.423 5.058 30 20 IKED C=CCC[C@@H](NCc1nc(O)c2oc3ccccc3c2n1)c1ccc(C(F)(F)F)cc1 540432131 KHBYQDYVOFWRBV-QGZVFWFLSA-N 427.426 5.898 30 20 IKED CC(C)N(Cc1ccc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1)C[C@@H]1CCCCO1 541032740 HUBBYBLZEFUICX-CPJSRVTESA-N 434.584 5.220 30 20 IKED Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 542025942 JRLQAEOOYAHPFS-QHCPKHFHSA-N 429.524 5.840 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)C2CC2)cc1 542404461 JSKRBTXFGYBRSD-UHFFFAOYSA-N 448.530 5.062 30 20 IKED C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2cccc(C#N)c2)cc1 542946282 LTGGRQCEOJRSDC-HNNXBMFYSA-N 434.883 5.076 30 20 IKED N#C[C@@H](C(=O)c1ccnc(SCC(F)(F)F)c1)c1nc2cc(Cl)ccc2s1 544549642 VIKVTAYYBCFNLS-NSHDSACASA-N 427.860 5.489 30 20 IKED CCOc1cc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc(Cl)c1O 545170966 DVGQSPAUDHOAPL-OAQYLSRUSA-N 436.895 5.018 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1OCC(C)C 553070880 BPBTYNLWMBDKGK-ROUUACIJSA-N 441.597 5.864 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)Cc1csc(Cc2ccc(F)cc2)n1 557358034 ZSLSKXAJFSINBW-UHFFFAOYSA-N 441.531 5.521 30 20 IKED N#Cc1ccc(OCc2nnc(N3CCC[C@@H]3c3ccsc3)n2Cc2ccccc2)cc1 589640717 ZGJBOXFCEGDGNL-HSZRJFAPSA-N 441.560 5.180 30 20 IKED O=C(CNc1cccc(C(F)(F)F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 591430302 GKQLCVWCEKSQHD-GHMZBOCLSA-N 436.318 5.143 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603822165 LAZXKPNCQPGQCH-FVQHAEBGSA-N 435.412 5.389 30 20 IKED C[C@H]1CCCCN1Cc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1 603909031 AIXPZPXVZWSVJA-IBGZPJMESA-N 429.520 5.357 30 20 IKED N#Cc1c(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)sc2c1-c1ccccc1CC2 603991421 KDFTVIILMZARPX-UHFFFAOYSA-N 430.489 5.120 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCc3ncc(-c4ccccc4)o3)c2)c1 603995573 IUXYFHOHTXNJLB-UHFFFAOYSA-N 436.471 5.037 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(-c3cccc(F)c3)no2)cc1 604003844 YZJPMVCZJZVRHR-UHFFFAOYSA-N 427.435 5.378 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(Cc4ccccc4F)n3)n2)cc1 605257544 LZNOVHAXKWPXKQ-QGZVFWFLSA-N 433.533 5.795 30 20 IKED O=C(Nc1ccc(F)cc1OCC1CC1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 607219496 VOUZJELMYXJURD-VXGBXAGGSA-N 428.348 5.209 30 20 IKED CCC(CC)CN(CCC#N)C(=O)c1ccc(COc2ccc(Br)cc2)o1 609189459 OHCYNRYTIATTBY-UHFFFAOYSA-N 433.346 5.413 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cc1coc(-c2cccs2)n1 609262209 UNVXPRCKHHDRBF-UHFFFAOYSA-N 431.492 5.498 30 20 IKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)N[C@H]1CCOc2ccccc21 609387098 LHNFKWHBMCIQIU-YOEHRIQHSA-N 449.498 5.152 30 20 IKED CCCCOc1c(Cl)cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC 609427704 DGVWTPQMMDBCMY-OAHLLOKOSA-N 432.973 6.174 30 20 IKED N#Cc1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2cccc3ccccc23)cc1Cl 609531168 NHHBPHXFFUFIQO-DEOSSOPVSA-N 439.902 5.209 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCC(OCC4CCCCC4)CC3)c2)cc1 610237071 ZESFRPAMLWLMIG-UHFFFAOYSA-N 432.564 5.339 30 20 IKED CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1 610296372 BKMPSGCHVSDNDS-QFIPXVFZSA-N 427.573 5.056 30 20 IKED C[C@H](NC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1)c1cccc(C#N)c1 610360715 DIORUPYDYYOXAR-HNNXBMFYSA-N 448.320 5.064 30 20 IKED CC(=O)c1ccc(OCCCC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1 642077255 RRZZTFDOSXTOSH-UHFFFAOYSA-N 444.506 5.601 30 20 IKED N#C[C@H](C(=O)c1ccc2c(c1)CCC(=O)N2)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281493 HJALCVIBAYFDEU-OAHLLOKOSA-N 442.327 5.492 30 20 IKED C=CCn1c(S[C@H](C)c2nc3ccccc3n2C(F)F)nnc1-c1ccc(Cl)cc1 648195504 MLIBIQQPLQHKBI-CYBMUJFWSA-N 445.926 6.383 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)nc2ccccc21 665423657 XTFREIBVKMGKFS-SFHVURJKSA-N 431.565 5.144 30 20 IKED Fc1ccc([C@H](NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2cccnc2)c(F)c1 680336784 MWKGDBSLVWFGIQ-SNUQEOBHSA-N 438.362 5.948 30 20 IKED Cc1c(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc(C(F)(F)F)c1F 682372181 ONLDCXIQVNEMHM-IUCAKERBSA-N 439.293 5.792 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@@H](C#N)c1nccc2ccccc12 682994220 GCYSIBPACPXHIE-SFHVURJKSA-N 437.446 6.176 30 20 IKED C=C[C@H]1CCCCN1C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 683780256 JUEIJOTVGMUBJR-ZDUSSCGKSA-N 426.357 5.141 30 20 IKED C=CCn1c(C2CC2)nn(CN2CCC[C@H]2c2cc(Br)ccc2OC)c1=S 725777426 HMTJPCOBNPNAOM-KRWDZBQOSA-N 449.418 5.043 30 20 IKED Cn1c(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)ccc1-c1ccc(Br)cc1 726319028 WPORKWHOSUYLTO-SFHVURJKSA-N 430.305 5.493 30 20 IKED N#Cc1cccc(COc2ccc(NC(=S)Nc3ccc(Cl)cc3)cc2Cl)c1 727978422 KPRGLHFFVXQYJS-UHFFFAOYSA-N 428.344 6.253 30 20 IKED CC(=O)c1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 727979558 ZQXGCZYHYUIRNN-UHFFFAOYSA-N 435.936 5.802 30 20 IKED N#C[C@H](NC(=O)Cc1ccc(Cl)cc1Br)c1cccc(C(F)(F)F)c1 733262333 LBNCJYSXPXQWEG-HNNXBMFYSA-N 431.639 5.045 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)c1 733845314 BMOSQBVWJRVIOP-HNNXBMFYSA-N 441.837 5.284 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 734209965 QZTHRGFXBGTJIX-UHFFFAOYSA-N 448.567 5.294 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1Oc1ccncc1 734706625 OHWRLYSFWAMCFN-LJQANCHMSA-N 440.286 5.450 30 20 IKED C[C@@H](OC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nc(-c2cccnc2)no1 735164762 XWHBHPCVTKDVJV-CQSZACIVSA-N 446.850 5.367 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)Cc3cccc(OCc4ccc(Cl)cc4)c3)[nH]c12 735793638 WTBJGNPXGUJJAM-NRFANRHFSA-N 429.907 5.523 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)c1cccc(COc2ccc(CCC(C)=O)cc2)c1 741636321 IPBMRDVYXPZCAA-UHFFFAOYSA-N 445.490 5.191 30 20 IKED Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1ccccc1SCc1ccc(C#N)cc1 741817639 CBWBBBOSOBSCOC-LJQANCHMSA-N 444.556 5.651 30 20 IKED CSc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1F 741847460 OCMSBJCNRZACNP-JXMROGBWSA-N 426.538 5.893 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(Br)cn2C(C)C)cc1 744033364 PUXKQKFXQDVRMO-KSSFIOAISA-N 430.346 5.306 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cnn(-c3ccccc3)c2)cs1 746347074 XHQKGDYEVWETPG-RAXLEYEMSA-N 428.517 5.218 30 20 IKED COc1cc(Br)c(/C=C/C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)cc1O 747123003 XKCZKMJXVJJWEQ-VOTSOKGWSA-N 443.249 5.018 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 748649538 FGRTWAMQLUBOQQ-UHFFFAOYSA-N 428.517 5.127 30 20 IKED C=CCc1ccc(OCC(=O)Nc2ccc(N3CCc4sccc4C3)cc2)c(OC)c1 748653875 UDYFGRDGJALWBT-UHFFFAOYSA-N 434.561 5.065 30 20 IKED CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2ccc(C#N)s2)NC(=S)N1c1ccccc1 749013767 FKFTUFRHCFYIEI-QFIPXVFZSA-N 444.585 5.277 30 20 IKED COc1cc(/C=C\C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1OCC(=O)O 750916054 KKGSBFGQWSGXDE-RQOWECAXSA-N 448.315 5.092 30 20 IKED Fc1cccc(-c2ccc(C=Nn3cnnc3SCc3ccc(Cl)cc3)s2)c1 750934730 ICHSSWRLRYXHKB-UHFFFAOYSA-N 428.945 5.974 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](c3ccccc3)N3CCSCC3)n2)cc1 755612128 MIBMLMHLFFIGTJ-IFMALSPDSA-N 433.602 5.085 30 20 IKED C#CCN(C(=O)Nc1ccccc1CSC)[C@@H]1CCOc2ccc(Br)cc21 760074066 QAKNXYQQYAPZSG-LJQANCHMSA-N 445.382 5.303 30 20 IKED Cc1ccccc1-c1nc(C)c(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)s1 773978360 BTFQKEUNVOIDFD-FQEVSTJZSA-N 425.513 5.541 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cc(Cl)ccn3)cc2Cl)c1 775321860 AIISZBGUNUUVLE-UHFFFAOYSA-N 427.291 5.161 30 20 IKED N#C[C@H](C(=O)CCCc1ccc2ccccc2c1)c1nc(O)c2c3c(sc2n1)CCCC3 776075058 RUFCZRDCTXIWMI-HXUWFJFHSA-N 441.556 5.628 30 20 IKED N#CCc1ccccc1CC(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 776894161 SHORCBWFQPDDKU-UHFFFAOYSA-N 437.421 5.205 30 20 IKED N#C[C@@H](C(=O)COc1ccc(Oc2ccccc2)cc1)c1nc(-c2ccncc2)cs1 780328202 OOANBBMBVXHFSX-NRFANRHFSA-N 427.485 5.253 30 20 IKED Cc1cc(C#N)ccc1C(=O)Nc1cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c1 785437077 SERQPWCEVAIXRI-UHFFFAOYSA-N 433.430 5.163 30 20 IKED Cc1cc(F)ccc1-c1ccc(C(=O)[C@H](C#N)C(=O)NCc2cccc(Cl)c2)cc1F 786538653 OELYDLXETNCFIE-NRFANRHFSA-N 438.861 5.233 30 20 IKED Cc1c(C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cnn1C1CCCCC1 787049634 HWAAZRCYLFBJJE-SCLBCKFNSA-N 447.366 5.203 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(C(F)(F)F)cnc1Cl 790793706 HMFZLXFASNNGOG-QMSLJYSESA-N 442.709 5.393 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(-c2cccc3cccnc23)cc1 796754245 PURSIBUSCMQKKT-HSZRJFAPSA-N 429.479 5.897 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2c(-c3ccc(Cl)cc3Cl)noc2C)c1 797875499 CAESMRKODCQSGD-INIZCTEOSA-N 444.318 5.568 30 20 IKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)COC(=O)C4CC4)c3C#N)C(C)(C)C2)o1 798179359 YVKUKLPKCIVFLO-UITAMQMPSA-N 436.533 5.191 30 20 IKED O=C([C@@H](F)c1ccc(C(F)(F)F)cc1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 801660608 IRFYPSWVXUNBJZ-HNNXBMFYSA-N 438.299 5.215 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1cnn(CC(F)F)c1)C(=O)c1ccccc1 814187700 QXTPKLLJCQGOAJ-FYJGNVAPSA-N 437.490 5.178 30 20 IKED C[C@@H](SC1=NC(=O)/C(=C\c2csc3ccccc23)S1)C(=O)Nc1cccc(C#N)c1 814774454 ZXEDQLDKQYGJMA-BUESGFEBSA-N 449.582 5.504 30 20 IKED CCc1nc2ccccc2n1[C@@H]1CCCN(C(=O)c2cn(CCCC#N)c3ccccc23)C1 816310641 ZFCLMODNTYGDDR-HXUWFJFHSA-N 439.563 5.334 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)COc2ccc(Oc3ccccn3)cc2)cc1 915085067 FJRVVHOYXAAGSE-RUZDIDTESA-N 435.483 5.547 30 20 IKED Cc1sc2ncnc(SCC(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c2c1C 915106244 ABKINNSPQCTQCK-GFCCVEGCSA-N 443.504 5.022 30 20 IKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 916938373 KJLCZQWYZLCWMO-ZDUSSCGKSA-N 434.279 5.217 30 20 IKED N#C[C@@H](C(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1nc2cc(C(F)(F)F)ccc2s1 917044353 SHVNGPJXIFCBNY-HNNXBMFYSA-N 448.426 5.292 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3cccc(Cl)c3Cl)n2)cc1 920138853 LBCFEFNAINFBJP-DOMZBBRYSA-N 447.343 5.769 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CSc3cccc(C(F)(F)F)c3)n2)cc1 920141988 JIEZCSRGTGVKJQ-QGZVFWFLSA-N 448.491 5.806 30 20 IKED CC(C)(C)Cn1c(O)nc2cccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c21 1355853555 RYDWMWMHSHAYIR-UHFFFAOYSA-N 441.491 5.099 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnnc4ccccc34)CCC2)cc1 1785842243 WHYNMQBOVUTIHI-UHFFFAOYSA-N 442.563 5.370 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCc3cc(F)ccn3)cc2)CCC1 1786822044 QFIZCDWOGBWUMU-HSZRJFAPSA-N 435.543 5.056 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c(C(C)(C)C)c3)cc2)CCC1 1787039180 MKAJMXDQJYVWNY-UHFFFAOYSA-N 437.584 5.043 30 20 IKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cncs3)cc2)CCC1)c1ccccc1 1787531661 HAJWHPSZGVFICW-JOCHJYFZSA-N 443.572 5.088 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@H](CC)c3ccccc3)cc2)CCC1 1787642514 BVDQLNBSCKUGCE-XMMPIXPASA-N 434.580 5.297 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cnccc34)CCC2)cc1 1789453889 HWRYIMJDDOKWOK-FQEVSTJZSA-N 428.536 5.079 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)/C(C)=C/c3cccnc3)CCC2)cc1 1789457889 DRYVHCDTHWOJAU-ARHOYUFESA-N 429.564 5.387 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(C(F)(F)F)c1F)C2 1792573216 OBASYEQIAJZLEJ-MUJYYYPQSA-N 440.481 5.089 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccc(C)cc1)C2 1798331480 NTHMMWIQZRWJHH-UEQSERJNSA-N 443.591 5.077 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C[C@H](C)c2ccccc2)[C@H]1c1cccnc1 1802501474 OBIYKNOOJOYSEJ-CVJWPJSTSA-N 447.623 5.274 30 20 IKED C=CCC(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(CCCCC)cc2)[C@@H]1c1cccnc1 1802996166 XRZNYZMDHCLSQE-UOTZPRLLSA-N 445.607 5.110 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)C1 1805457132 SXJMQFNVRQZDLV-UHFFFAOYSA-N 442.720 5.037 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(Cl)s2)n[nH]1 1815730615 AIIWPDQWUOSYIS-FUHWJXTLSA-N 447.004 5.128 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3cc[nH]c3c2)n[nH]1 1818484672 MWGDBYSHLQMEAG-OAQYLSRUSA-N 433.556 5.189 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cccs2)CC1 1827077887 XYPFXLZLGRADQT-WANHOSFCSA-N 426.626 5.149 30 20 IKED CCCCC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1831466049 LWXMFUBCCJPESB-OFVILXPXSA-N 437.628 5.202 30 20 IKED N#Cc1ccc(C(=O)CSc2nnc(Cc3cccs3)n2CCc2ccccc2)cc1 18281909 VPRAVBRDKFGCAO-UHFFFAOYSA-N 444.585 5.020 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2cccc(C)c2)cc1 22800108 PMEKZCTUOSRJGV-UHFFFAOYSA-O 443.951 5.525 30 20 IKED C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)Nc1sc2c(c1C#N)CCC2 26514389 XAIFLDGCFSVVCH-JTQLQIEISA-N 448.495 5.190 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 26867685 NAWLBURVHPWARX-UHFFFAOYSA-N 427.529 5.198 30 20 IKED C=CCOc1ccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1OC 58515579 VHRWUBCPSHQISK-UHFFFAOYSA-N 430.479 5.113 30 20 IKED C=CCn1c(S[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)nc2ccccc2c1=O 59409988 VLKGAXMQLZJSCO-GOSISDBHSA-N 441.556 5.688 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(C3CC3)no2)nc2scc(-c3cccs3)c2c1=O 71958654 AJSPHKWRQAHHCR-NSHDSACASA-N 442.591 5.486 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CCC(=O)c2ccc(Cl)cc2)cc1 108696692 BCWSOSPGRBRDQR-UHFFFAOYSA-N 432.907 5.587 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCOC3(CCCCC3)C2)cc1 426101892 CXIUPGVRRSQWNO-HXUWFJFHSA-N 435.524 5.363 30 20 IKED Cc1cc(-c2csc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)n2)ccc1F 428509060 WMRMUZQEXBETIH-UHFFFAOYSA-N 431.496 5.287 30 20 IKED CCOc1c(Br)cc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cc1OC 430601269 JGWNNQVLVWJEKD-GFCCVEGCSA-N 437.359 5.100 30 20 IKED N#Cc1ccc(NC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1C(F)(F)F 435591692 DDRRBQRDGAELRF-LLVKDONJSA-N 448.392 5.464 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](Cc3cccc(Cl)c3F)C(C)=O)o2)cc1 436206153 FBIYUNAOXYJNHX-GOSISDBHSA-N 432.904 5.386 30 20 IKED CC(C)(C(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1cc(F)cc(C#N)c1 436524673 JMMMIGKADKFRFC-UHFFFAOYSA-N 431.492 5.596 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 438064836 VJDAXEKGLPMVKK-IAGOWNOFSA-N 428.989 5.382 30 20 IKED CC[C@@H](C)[C@@H](C)N(C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)C1CC1 439565079 BNZCMKNYQJIBOR-ZIAGYGMSSA-N 441.519 5.075 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1cccc(CSC2CCCC2)c1 439590771 DEIXKNNWTLJPQX-LJQANCHMSA-N 437.609 5.618 30 20 IKED CCCc1c(NC(=O)N[C@H](C)c2ccc(OC(F)F)cc2)cnn1-c1cccc(C#N)c1 439661857 IJZJSDLILPLICU-OAHLLOKOSA-N 439.466 5.181 30 20 IKED COc1c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)sc(C)c1Br 442693532 PLBLRCPABGXOMR-VIFPVBQESA-N 441.759 5.581 30 20 IKED C=CCN(C)C(=O)Nc1ccc([C@H]2CC[C@H](N(C)C(=O)c3ccc(Cl)cc3)CC2)cc1 443530705 JNRXMXJZNCMZCY-UILWBTOOSA-N 439.987 5.788 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(c3nc(C(F)(F)F)ccc3C#N)C2)n1 447690048 AQODCWJQGZZNSK-OAHLLOKOSA-N 444.482 5.488 30 20 IKED C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@H]1c1nc2ccccc2s1 460380778 AQYZQRLMFBLAOV-FPOVZHCZSA-N 443.576 5.482 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 460558298 ZCZYDHHFIHSLMW-OAQYLSRUSA-N 445.592 5.522 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc2c(C(C)C)nn(C)c2s1 463142634 QLTGHALBEFTILI-UHFFFAOYSA-N 430.533 5.983 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CC[C@@H](CSc4ccccc4)C3)c2)c1 464341375 VNSTVYFLOHDJMT-JOCHJYFZSA-N 428.557 5.392 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 467033131 AWDXPIJFKPFXCD-UHFFFAOYSA-N 430.455 5.042 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccccc1CC(=O)OC(C)(C)C 467120227 OAQAYKHDUXCCOD-UHFFFAOYSA-N 435.442 5.407 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)c1 468630329 GZCXWPUEMHVBIC-UPVQGACJSA-N 435.911 5.071 30 20 IKED CN(Cc1cccc2ccccc12)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470537799 MKTKRLIDDLEICV-UHFFFAOYSA-N 426.520 5.087 30 20 IKED CC(C)(C)[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(F)cc1 470542810 QFTHHMCJQLCPRQ-HSZRJFAPSA-N 436.531 5.318 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)cc1Cl 471204337 NNZSPMXTFJVBGZ-LPHOPBHVSA-N 435.915 5.257 30 20 IKED CSc1cc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c(Cl)cc1Cl 479276730 HBQRRASQOBEKDU-UHFFFAOYSA-N 434.392 5.003 30 20 IKED CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 482986143 NKZQCGOPWZWKLM-UHFFFAOYSA-N 433.895 5.394 30 20 IKED C[C@@H](C(=O)Nc1cc(F)cc(NC(=O)[C@H](C)c2cccc(C#N)c2)c1)c1cccc(C#N)c1 485190875 DZMNHXIZZJTICS-IAGOWNOFSA-N 440.478 5.053 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](c1ccc2c(c1)CCCC2)c1cccs1 486222222 NNACLMOCPMUTER-AREMUKBSSA-N 446.620 5.192 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(c2ccsc2)CC1 486509285 BCIPTORTSDUVBR-UHFFFAOYSA-N 431.561 5.919 30 20 IKED N#Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)s1 486616593 ORKXGNAABUPASU-SFHVURJKSA-N 426.423 5.034 30 20 IKED COc1ccc(NC(=O)c2cccc(F)c2C#N)cc1OCc1ccc2ccccc2n1 488311608 JEFVFLMZPDPARW-UHFFFAOYSA-N 427.435 5.085 30 20 IKED COc1cccc(Cn2ccc3ccc(NC(=O)c4cccc(SCC#N)c4)cc32)c1 490331517 SRXDDOGFHAGRPY-UHFFFAOYSA-N 427.529 5.566 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2cc(C#N)ccc2OC)cc1 493077419 HHKOLQIFSSEDFC-UHFFFAOYSA-N 425.488 5.295 30 20 IKED CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)N(CCC#N)Cc2ccco2)n1 493999547 JWHHCSGZBIVJHH-UHFFFAOYSA-N 427.892 5.129 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 494054367 KVOYRDRQPGVLSB-UHFFFAOYSA-N 445.993 5.204 30 20 IKED CCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H](c1ccc(C)cc1)c1cccnc1 496571769 KSEOCHFTTLZTQH-MHZLTWQESA-N 448.526 5.701 30 20 IKED C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccc(-c2cccnc2)cc1 498607904 SBNNHPGAAAEALK-SFHVURJKSA-N 444.510 5.073 30 20 IKED C=CCn1c(S[C@@H](C)c2ccc(C(F)(F)F)cc2)nnc1[C@@H]1COc2ccccc2O1 503678495 ZLJHQECZZVYOAF-LIRRHRJNSA-N 447.482 5.849 30 20 IKED N#C[C@H](NC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1cccc(Cl)c1Cl 505325039 FNTPCTSJJCDDNG-KRWDZBQOSA-N 445.375 5.201 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)cc1 505616780 BTOVQZUNPHJZHV-KSFYIVLOSA-N 441.487 5.206 30 20 IKED CCN(C(=O)NCc1ccc(C#N)cc1)[C@@H]1CCSc2ccc(Br)cc21 508181292 PDPZYOAQKNSLKG-GOSISDBHSA-N 430.371 5.089 30 20 IKED C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@H](COCc2ccccc2)C1 508840514 LMRXMHCYEIMJQU-QFIPXVFZSA-N 439.563 5.031 30 20 IKED F[C@@H](c1ccc(C(F)(F)F)cc1)c1noc(Cn2c(C(F)(F)F)nc3ccccc32)n1 511984080 VZQRZZNSPCXMGW-HNNXBMFYSA-N 444.310 5.564 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)n2)cc1 512503238 HMGALPMRSUXPEM-KRWDZBQOSA-N 435.505 5.514 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2s1 513670908 DFPGYJZFNKJIPP-OAHLLOKOSA-N 435.505 5.548 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2cccc(C(C)=O)c2)C(C)C)nnc1-c1cccc(C)c1 514772974 APJWQWBTASXDBF-JOCHJYFZSA-N 448.592 5.398 30 20 IKED C[C@@H](Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)NC1(C#N)CCCCC1 515761141 KCQSGRIWRYITGQ-CQSZACIVSA-N 433.339 5.324 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1[nH]c2ccc(Br)cc2c1Cl 516206457 NTWFJAQHSOEAFY-UHFFFAOYSA-N 432.705 5.495 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc(-c2ccc(F)cc2)no1 518666511 CFMKLTMAHMFRPX-AWEZNQCLSA-N 442.541 5.142 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 520136333 KMZUTQTWOOWRHU-UHFFFAOYSA-N 439.541 5.061 30 20 IKED COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 520323451 CCWHDZRLCPHYBS-RUZDIDTESA-N 442.515 5.539 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(OCc4ccccc4F)cc3)CC2)c1 520573443 KSONPZKMBFRARZ-UHFFFAOYSA-N 445.494 5.352 30 20 IKED Cc1ccc(Oc2ccccc2NC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1 521532555 OVIKTWSCQNQFGZ-UHFFFAOYSA-N 427.504 5.453 30 20 IKED CSc1ncc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)n1-c1ccc(F)cc1 521734231 KYBGRVRLYGXTBN-AWEZNQCLSA-N 426.542 5.237 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCOc1ccccc1Br 521796473 FBDPZZVGPDDNAV-HNNXBMFYSA-N 433.371 5.641 30 20 IKED C=CCn1c(SCc2nc(C3CCCC3)no2)nnc1-c1ccc(Cl)cc1Cl 521901178 ZTSJLHCGANRHCB-UHFFFAOYSA-N 436.368 5.771 30 20 IKED CC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1ccccc1SC[C@H](C)C#N 522683356 CUHSLHAODHMMIX-WBVHZDCISA-N 431.399 5.908 30 20 IKED O=C(Nc1ccc(F)cc1)C1CCN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 523609140 UNVBLXSJLLUAKH-UHFFFAOYSA-N 441.506 5.108 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2CCCOc3ccc(F)cc32)cc1 523614228 FJOPEZUIHIZFMJ-DEOSSOPVSA-N 447.485 5.462 30 20 IKED CCCN(C(=O)CSc1ccc(C#N)cc1)[C@@H](c1cccnc1)c1ccc(F)cc1F 525129899 YVAPMMMRHPMZMM-DEOSSOPVSA-N 437.515 5.352 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCc2c(Cl)cccc2C1 525345279 MVMIZRRZMCZQFL-UHFFFAOYSA-N 431.923 5.689 30 20 IKED CSc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 526104354 DYLNKKZGHDOFFT-UHFFFAOYSA-N 437.908 5.303 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](C)C2CCN(CC(F)(F)F)CC2)cc1 527469481 PXGYHXYDLQHEGK-QGZVFWFLSA-N 445.485 5.052 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](Cc1ccccc1)C(=O)OC(C)(C)C 534229459 KTYLPWWKROWMQK-FXAWDEMLSA-N 439.581 5.155 30 20 IKED C=C(C)[C@@H](CC(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F)OCC 534492571 JLPPGUGDEXYLCD-LJQANCHMSA-N 438.421 5.407 30 20 IKED CC(C)Cn1cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c(C(F)F)n1 534928296 JHHVZWXWYKIMAQ-UHFFFAOYSA-N 444.869 6.046 30 20 IKED C[C@@H](NC(=O)c1ccc(CC#N)cc1)c1nc(-c2ccc(Br)cc2)cs1 535423006 NXDGKWWYJZMBMK-CYBMUJFWSA-N 426.339 5.130 30 20 IKED C=CCCC[C@H](C)NC(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 537232800 SSPMEKWRBOFPIR-HOTGVXAUSA-N 441.622 5.547 30 20 IKED CC(C)(C)c1cc(NC(=O)c2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)c(C#N)s1 539175062 JARDQEDRGMVJTF-FQEVSTJZSA-N 445.544 5.112 30 20 IKED C=CCOc1c(Br)cc(CNCc2ccc3ccccc3n2)cc1OCC 539489491 IPJUIXSUSQNRCJ-UHFFFAOYSA-N 427.342 5.251 30 20 IKED COc1cc(CN[C@H](C)c2ccc(-c3cccnc3)cc2)ccc1OCc1cccc(C#N)c1 540434715 RUKSIZRHDLVREY-OAQYLSRUSA-N 449.554 6.059 30 20 IKED C[C@H](NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)c1nc(C(C)(C)C)cs1 541101495 PQHKFRDACXANRL-LBPRGKRZSA-N 428.949 5.034 30 20 IKED Cc1sc([C@H](C)N[C@@H](C)C(=O)NC2(C#N)CCCCC2)nc1-c1ccc(Cl)cc1 541646271 CXNKQFDTECHRSQ-GJZGRUSLSA-N 431.005 5.154 30 20 IKED C[C@@H](NC(=O)N1CCc2c(ncn2-c2ccccc2)C1)c1ccc(-c2cccc(C#N)c2)cc1 542087732 OKSXGCXPYOKRRH-HXUWFJFHSA-N 447.542 5.240 30 20 IKED C[C@@H](Sc1cccc(Cl)c1C#N)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 542102693 NBFSTDSMBDSLMM-CYBMUJFWSA-N 441.965 5.645 30 20 IKED C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1cccc(NC(=O)c2ccccc2)c1 543349781 OGGWSARWAWLTMZ-IBGZPJMESA-N 438.531 5.246 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(c2ncc(C)s2)CC1 549302398 WFSKOPHECYWNTK-KRWDZBQOSA-N 441.576 5.282 30 20 IKED CC(C)(C(=O)Nc1ccc(Oc2nncc3ccccc23)cc1)c1cc(F)cc(C#N)c1 557399508 QGUVKJUBPZLCRT-UHFFFAOYSA-N 426.451 5.349 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)NCc2ccccc2Cn2ccnc2)cc1Cl 560053312 WLLILOSIQCLRPZ-UHFFFAOYSA-N 442.906 5.179 30 20 IKED N#Cc1cc(C(=O)N(Cc2ccccc2C(F)(F)F)CC2CC2)cnc1C(F)(F)F 560593674 OLWJEMCDFZVIJA-UHFFFAOYSA-N 427.348 5.043 30 20 IKED N#C[C@@H](NC(=O)COc1ccc(OCc2ccccc2)cc1)c1cccc(C(F)(F)F)c1 561596262 MHWDQCLNMHGBBQ-JOCHJYFZSA-N 440.421 5.044 30 20 IKED N#CCCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)cc1 561916406 RTUXRJIGCMQUML-UHFFFAOYSA-N 432.282 5.667 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCc4cccc(Br)c4C3)cc2)ccn1 564438287 FQKCOAMDDJOSHK-UHFFFAOYSA-N 449.308 5.098 30 20 IKED N#Cc1cccc(C2(NC(=O)CCCc3nnc(-c4ccc(Cl)cc4Cl)o3)CC2)c1 578921640 WKUTWXXQLBXWPV-UHFFFAOYSA-N 441.318 5.043 30 20 IKED COCCN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)c1nc2ccccc2s1 603638196 YELBBHDWYCGLGE-UHFFFAOYSA-N 443.528 5.040 30 20 IKED C[C@H]1C[C@H]1c1ccc(CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C2CC2)o1 603692045 PQXQNXPYGBLTKJ-KSFYIVLOSA-N 428.492 5.658 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c(OC)c1 603692867 PKOWWIILSGVEFM-JOCHJYFZSA-N 444.491 5.132 30 20 IKED CC(C)[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1nc2ccccc2[nH]1 603693449 VJUFJGSVHLEEJU-QFIPXVFZSA-N 426.480 5.141 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cccc(Nc4ncccn4)c3)c2)cc1 603921173 OWVWIIZZSAOMNX-UHFFFAOYSA-N 435.487 5.118 30 20 IKED C=CCN(C(=O)c1sc(CC(C)C)nc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 609019664 ZAILTWXLNZNIKO-UHFFFAOYSA-N 442.566 5.515 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCCN1C[C@H](C)C[C@@H](C)C1 609079307 VLSSWLOXEKCDBO-NHCUHLMSSA-N 448.611 5.325 30 20 IKED CC[C@@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C(C)C)cc1 609400070 GOVSLPUDCZJIDS-WZONZLPQSA-N 437.609 5.658 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](COc1ccccc1F)c1ccccc1 609434834 UCRCJRHRJZKSEN-XMSQKQJNSA-N 449.551 6.162 30 20 IKED C[C@@H](Oc1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1 609683931 ULVQCRAZLMSJJP-OAQYLSRUSA-N 442.563 5.294 30 20 IKED CNC(=O)c1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1Cl 609723658 QXLHGTWCVOUWRV-UHFFFAOYSA-N 440.286 5.269 30 20 IKED Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)NCc3cccc(C#N)c3)c12 609967653 WECRWXNTILTUTI-UHFFFAOYSA-N 436.393 5.019 30 20 IKED C[C@@H]1CN(Cc2cccc(NC(=O)c3ccccc3-c3ccccc3C#N)c2)C[C@@H](C)O1 609976178 ZMIDQMAZWSKXTE-WOJBJXKFSA-N 425.532 5.087 30 20 IKED CN1CCC[C@@H](CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@@H]1c1cccs1 610180523 DTHSVGVSIVJRFG-WIOPSUGQSA-N 445.588 5.012 30 20 IKED CN1CCC[C@@H](CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)[C@H]1c1cccs1 610180952 YCWKJBTULVXHRF-OFVILXPXSA-N 445.588 5.419 30 20 IKED Cc1ccccc1CC1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 610629910 AAEKIZFSYKJIHR-UHFFFAOYSA-N 425.532 5.347 30 20 IKED CCc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccc(Oc3cccc(C#N)c3)nc1)CCC2 610791724 CKOHCUBXFPVKQN-LJQANCHMSA-N 433.537 5.306 30 20 IKED CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@@H]1CCCc2c1cnn2C 610972931 SQIFACULHNDKBU-SIKLNZKXSA-N 433.943 5.270 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 611495274 VPESARZVRXLNAU-GASCZTMLSA-N 428.332 5.163 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)n1 614382161 NZEOCIZVKNYNBB-ZDUSSCGKSA-N 433.917 5.356 30 20 IKED CCCOc1c(Br)cc(CN[C@H]2CCc3cc(C#N)ccc32)cc1OCC 618743056 VHXYYTRCDKPHMJ-FQEVSTJZSA-N 429.358 5.285 30 20 IKED N#C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)c1ccc(Cl)cc1 619863831 JBXAGJYXNKHYMI-DYESRHJHSA-N 449.967 5.616 30 20 IKED O=C(Nc1ccc(OC2CCC2)c(F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 674025245 PEBPEWPVVVVVCX-GHMZBOCLSA-N 442.375 5.788 30 20 IKED COC(=O)c1sc2ncc(C(C)=NNc3ccc(C#N)c(C(F)(F)F)c3)cc2c1C 726426208 RQOPVZOBPABSAV-UHFFFAOYSA-N 432.427 5.118 30 20 IKED CCOc1ccc(OCC)c(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 726905819 OKFZSFZIYGKKCP-UHFFFAOYSA-N 433.533 5.957 30 20 IKED C[C@@H](O)c1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 728122428 FCRJBKLYZUWXID-MRXNPFEDSA-N 435.911 5.166 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cc2)C[C@H](C)O1 728471537 ROMMGNZWVRFMJY-OALUTQOASA-N 427.504 5.216 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)cc1 729887706 ATXWLBNDQBFKMC-HXUWFJFHSA-N 446.532 5.507 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(C2CCC2)C1=O)Nc1cccc(Cl)c1Cl 730460320 XOZJNYWWWVOFJY-KRWDZBQOSA-N 448.375 5.506 30 20 IKED O=C(/C=C/c1cc(Br)ccc1OC(F)F)c1ccc(N2CCCC2=O)cc1 730579404 MMVLLUQOFLPFRH-WEVVVXLNSA-N 436.252 5.073 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)cc1 732300389 XZYFVGZIOKNQAW-FQEVSTJZSA-N 445.277 5.260 30 20 IKED C[C@H](CSc1ccccc1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 732494700 KNLBIOSLBDVWEM-NQIIRXRSSA-N 430.529 5.555 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2cc3c(s2)-c2ccccc2CC3)ccc1OC 733232615 VSYQICKSIBFYCS-LJQANCHMSA-N 432.545 5.133 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2Oc2cccc(C)c2)ccc1OC 733617424 HOCRLQHBCHSYKT-FQEVSTJZSA-N 445.519 5.799 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)c1 733844816 VTWUEFXOAGNZFK-DENIHFKCSA-N 448.567 5.012 30 20 IKED CCc1cccc(CC)c1NC(=O)COC(=O)c1cccc(COc2ccccc2C#N)c1 734199948 QNJIANYKCQXBBH-UHFFFAOYSA-N 442.515 5.058 30 20 IKED C=CC[C@H](NC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1)c1ccncc1 734662997 GECNEUQKIZHEMO-VXKWHMMOSA-N 436.353 5.550 30 20 IKED COCc1c(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)sc2cccc(F)c12 739598240 FTBMNRSDOPSVLJ-UHFFFAOYSA-N 436.533 5.717 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@H](O)c2ccccc2Cl)c1 740929177 CZOMSYMFAAVDFM-FQEVSTJZSA-N 427.287 5.121 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)[C@@H](Sc3ccccc3)c3ccccc3)o2)cc1 741830793 XWKYVOARSCJEOB-QFIPXVFZSA-N 427.485 5.185 30 20 IKED COc1cc(/C=C\C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2C)ccc1OCC#N 743055849 LOFOJXTXRMVDSM-CLTKARDFSA-N 442.302 5.295 30 20 IKED CCCN(Cc1ccccc1O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 743106280 WTUQWWFUEJYGEG-JOCHJYFZSA-N 433.939 6.145 30 20 IKED N#Cc1cc(NC(=O)NC[C@@H](O)c2ccsc2)ccc1Oc1ccc(C(F)(F)F)cc1 743221819 ZTSWKFVSEZELQV-GOSISDBHSA-N 447.438 5.286 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCNc3cc(Cl)ccc3OC)n2)cc1 744063126 XTCIMMBCQDJYGM-QGZVFWFLSA-N 441.940 5.159 30 20 IKED CC/C(=C/C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(Cl)c1 745757602 IIYYKLZLPLSFGH-BQGMYUGNSA-N 442.968 5.567 30 20 IKED C=CCOc1ccc(C(=O)O[C@@H](C)c2ccccc2NC(=O)c2ccccc2)cc1OC 748016717 ZWHSKLUTDDKEAA-SFHVURJKSA-N 431.488 5.430 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)cc1 749027133 XNSSLKUTZXBZQN-FQEVSTJZSA-N 431.904 5.324 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-c2ccc(F)cc2)n1C 749171325 QVKGKAQWOLZKEN-UHFFFAOYSA-N 426.451 5.451 30 20 IKED C=CCC[C@@H](NC(=O)c1ccc(S[C@@H]2CCOC2=O)cc1)c1ccc(C(F)(F)F)cc1 750517419 MTBCWNOCQROFMC-WOJBJXKFSA-N 449.494 5.550 30 20 IKED Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1cnc(-c2cccs2)s1 751523124 WSQQPLXSUGGDGN-UHFFFAOYSA-N 438.390 5.608 30 20 IKED CCOC(=O)Nc1ccc(N[C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1C#N 752798403 YSNWFGMFHJUFNO-NSHDSACASA-N 446.294 5.657 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(OC)c(-c3ccccn3)c2)cc1 754822257 LTRCMYLDBZTCDG-VGSWGCGISA-N 427.504 5.232 30 20 IKED Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(Br)n1 755881996 IQFFNJZOQJLTFE-UHFFFAOYSA-N 444.276 5.429 30 20 IKED CCOC(=O)C1C/C(=C/c2cnc(Cl)c(C)c2)C(=O)/C(=C\c2cnc(Cl)c(C)c2)C1 760266567 WGMMADZMJBWJQF-MZAUSLISSA-N 445.346 5.409 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2N(C)C2CCCC2)ccc1OC 762224554 AXNAVJXUKCFFER-HXUWFJFHSA-N 436.556 5.077 30 20 IKED CCc1nc2c(s1)[C@H](N(C)C(=O)NCc1cccc(-c3ccc(C#N)s3)c1)CCC2 764361288 UBYVKNDWQSXABX-LJQANCHMSA-N 436.606 5.525 30 20 IKED CCN(C(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C)c1ccc(C#N)cc1 765037015 IQUUHESQICFKQD-MOPGFXCFSA-N 427.589 5.141 30 20 IKED C=CCn1c(-c2ccc(C)cc2)nn(CN2CCC3(CC2)OCc2ccccc23)c1=S 765078480 KKFCGDCZCJRTOC-UHFFFAOYSA-N 432.593 5.055 30 20 IKED C[C@@](O)(CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(Cl)c1 765154080 JNNJPKPEZUUEOT-RUZDIDTESA-N 449.938 5.014 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)n1 765587805 OEHCNTAHLKOWBX-INIZCTEOSA-N 426.885 5.115 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](O)c1ccc(-c2ccccc2)cc1 767761113 BNMZTISWEMLSQQ-MBSDFSHPSA-N 431.561 5.603 30 20 IKED N#C[C@@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)C(=O)Nc1cccc2ccccc12 769946358 SDZQNYOODHXEMI-IZILLXMLSA-N 442.824 5.786 30 20 IKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(N2CCOC2=O)c1 771856585 ACFSSLCXGUFQMR-PLNGDYQASA-N 429.316 5.577 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)O[C@@H](C#N)Cc1ccc(F)cc1F 774343563 XNHYJMJZGBJVIV-CQSZACIVSA-N 437.229 5.527 30 20 IKED N#CCc1ccccc1CC(=O)OCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 777159527 ZZZQPZOPCAIVMN-UHFFFAOYSA-N 448.931 5.321 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(-n2cnc3ccccc32)cc1 778299180 VKWMXTKLLZQNHD-QGZVFWFLSA-N 449.297 5.293 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(O)(c3c(F)cccc3F)CC2)cc1 779396178 BPGSMDNBQQPHMJ-NRFANRHFSA-N 447.485 5.136 30 20 IKED Cc1ccc(-c2cc(C(=O)Nc3ccccc3O[C@H](C)C#N)c3cnn(C(C)C)c3n2)s1 780158382 AUMMCESVSXJKTF-OAHLLOKOSA-N 445.548 5.592 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)[C@@H](O)c1ccc(C#N)cc1 780949487 FIGPRAQGFAVYMH-DEOSSOPVSA-N 442.494 5.276 30 20 IKED N#Cc1cc(NC(=O)C(=O)Nc2cccc(SC(F)F)c2)ccc1Oc1ccccc1 784323808 PVNPMVIDGRLEGE-UHFFFAOYSA-N 439.443 5.242 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@H](c2cccc(C(F)(F)F)c2)C1 784482688 JZAIRYJFTTVVPX-AEFFLSMTSA-N 447.526 5.385 30 20 IKED CCN(Cc1ccccc1NC(=O)N[C@@H]1CCc2cc(C#N)ccc21)C(=O)OC(C)(C)C 785820614 PVNFASAQNKKTJS-JOCHJYFZSA-N 434.540 5.124 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1 785993518 QAMXPWCDNMFQGN-UHFFFAOYSA-N 449.595 5.709 30 20 IKED N#CCOc1ccc(Cl)cc1CN(Cc1cccc(Br)c1)C1CCOCC1 786439923 ACEJIHDZFBHSNU-UHFFFAOYSA-N 449.776 5.186 30 20 IKED COc1ccccc1[C@H](C)CC(=O)[C@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 787054811 WXNYKAPQTNTPDD-GLJUWKHASA-N 433.335 5.082 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccsc3)N(Cc3ccco3)C2=O)c1 790736605 IZUKWGPKGLVZAY-LJQANCHMSA-N 439.562 5.118 30 20 IKED C#CCN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 796638745 FXQZFJORGYPTTM-UHFFFAOYSA-N 443.494 5.482 30 20 IKED N#CC1(CCCOC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCOCC1 800099530 RMUKVRIMSPUOEU-UHFFFAOYSA-N 444.871 5.298 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)[C@H]3C[C@H](c4ccccc4)OC3=O)cc2Cl)c1 809663364 OIAWTXHYAYCJFN-NFBKMPQASA-N 446.890 5.034 30 20 IKED N#Cc1cc(Oc2ccc(NC(=S)NCc3cccc(C(F)(F)F)c3)cc2)ccn1 811708633 CRVJCIJPXIHEPI-UHFFFAOYSA-N 428.439 5.251 30 20 IKED N#Cc1ccc(N2CCC(c3nc(-c4cccc(CN5CCCCC5)c4)no3)CC2)c(F)c1 904433428 GAGNJJWJVABDPL-UHFFFAOYSA-N 445.542 5.117 30 20 IKED CN(Cc1ccc(C#N)cc1)Cn1nc(Cc2cccs2)n(-c2ccccc2)c1=S 914783304 SKVJKJDPVFSYBQ-UHFFFAOYSA-N 431.590 5.017 30 20 IKED CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915353940 ZVLCXEWFWYRJMK-HHHXNRCGSA-N 438.575 5.996 30 20 IKED Sc1nnc(-c2cccs2)n1N=Cc1cn(Cc2ccccc2)nc1-c1ccccc1 916314333 WVFKOXOYUBYJND-UHFFFAOYSA-N 442.573 5.089 30 20 IKED COc1ccc(N(C(C)=O)c2nc(C=NNc3nc(-c4ccccc4)cs3)cs2)cc1 916545525 LYFBHWICVNGALX-UHFFFAOYSA-N 449.561 5.406 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1sccc1Br 916910281 SLLBXBSXZKAINA-CQSZACIVSA-N 441.306 5.264 30 20 IKED N#C[C@H](C(=O)CSc1ccc(F)c(F)c1)C(=O)Nc1ccccc1Oc1ccccc1 916911286 WXPHCTQHGFDSMP-QGZVFWFLSA-N 438.455 5.197 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl 916922881 JHYIWYGGNZNXKZ-YYRKOSNBSA-N 436.817 5.118 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN(CC)Cc2ccc(Cl)c(Cl)c2)c1=S 917488872 YSQZUYGQYQHYHI-UHFFFAOYSA-N 434.396 5.448 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 917715147 UEKQTIIYQOFURO-VAWYXSNFSA-N 441.556 5.177 30 20 IKED N#C[C@@H](C(=O)Cc1ccc2c(c1)OCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 919667558 YOACCYVWNKSUGG-AWEZNQCLSA-N 431.300 5.265 30 20 IKED Cc1ccc(C(C)C)c(OCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 920804055 JOVGENOWNBPCDZ-INIZCTEOSA-N 426.488 5.775 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=S)NC3CCN(Cc4ccccc4)CC3)cc2)cc1 920998421 RDNRSAQSZYTLFO-UHFFFAOYSA-N 442.588 5.302 30 20 IKED FC(F)(F)COc1ccc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)cc1 921255666 YJGAAFJESSCKHN-UHFFFAOYSA-N 442.466 5.134 30 20 IKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)C4=CCCC4)cc3)CCC2)cc1C#N 1787624490 CQZKMOXCGRWWLH-UHFFFAOYSA-N 443.547 5.203 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3nccc4[nH]ccc34)cc2)CCC1 1788463612 WKSIXKZIKSSKAV-UHFFFAOYSA-N 428.536 5.079 30 20 IKED Cc1cscc1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)ccc3F)cc2)CCC1 1790764151 XMNONBFEQQPVMZ-UHFFFAOYSA-N 433.508 5.129 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCCc3cccnc3)cc2)CCC1 1791950710 MAWUVKDXBAILTO-DEOSSOPVSA-N 431.580 5.307 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCSCc1ccc(C)cc1)C2 1798337731 SJNFVRSXBWIATF-UEQSERJNSA-N 440.653 5.025 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc3c1oc1ccccc13)C2 1798338163 VREIVXWYDVDHST-PLACYPQZSA-N 442.559 5.606 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3ccnc(C(C)(C)C)c3)C2)CC1 1807434098 VONCOMMFPMVXFH-UHFFFAOYSA-N 439.644 5.216 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3nc(C)ccc3o2)[nH]n1 1814442230 OTQSIPPALZNFHS-IBGZPJMESA-N 449.555 5.158 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CSC2CCCC2)CC1 1824478633 LUBHCPARZXMKJR-DHIUTWEWSA-N 432.674 5.050 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C\c2c[nH]c3ccccc23)CC1 1825095968 OUBTYDDJWZBJOL-XFCHFUEZSA-N 433.596 5.013 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccccc3o2)CC1 1828188192 LYCIHQFAWPZJPY-JOCHJYFZSA-N 436.596 5.659 30 20 IKED CC(C)[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)CC1 1829956445 IKUDEIKMNCWQSR-GVUKDKGQSA-N 449.639 5.254 30 20 IKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(C)C)cc2)CC1 1830055448 RERVVLQILBDRSH-VWLOTQADSA-N 440.628 5.026 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2cccc(O)c2)c1 10760620 IKURWAGONGSNCC-UHFFFAOYSA-O 429.924 5.140 30 20 IKED Cc1ccccc1NC(=O)c1cc2ccccc2cc1OS(=O)(=O)c1cccc(C#N)c1 15331458 LRGBFBDKSIPBLJ-UHFFFAOYSA-N 442.496 5.040 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2ccccc2-c2ccccc2)n1 21514728 SMCKYPIOISDBSO-UHFFFAOYSA-N 427.451 5.678 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)nnc1-c1cccc(C)c1 22619502 WFBBWDSPXRQVME-HNNXBMFYSA-N 437.594 5.208 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)sc1C)=C(/S)Nc1ccc(OC)cc1 22731312 LZYQPSZFJBZHDI-UHFFFAOYSA-O 425.599 5.274 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 23603248 IYGNWYZQTFTJPF-UHFFFAOYSA-O 447.411 5.839 30 20 IKED C=CCn1c(SCc2ccccc2C(F)(F)F)nnc1[C@H]1COc2ccccc2O1 23880177 JZMIVOBITWFBLS-GOSISDBHSA-N 433.455 5.288 30 20 IKED C=CCn1c(S[C@H](C)c2ccc(F)c(Cl)c2)nnc1[C@H]1COc2ccccc2O1 59928186 OVGJONXSIDNDRL-BFUOFWGJSA-N 431.920 5.622 30 20 IKED Cc1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)ccc1Oc1cccnc1 60033090 ZZKZOZNFRJDXNV-UHFFFAOYSA-N 437.524 6.458 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N(CCc2ccccc2)Cc2cccnc2)o1 60415692 OOGKJVODUFRBMW-UHFFFAOYSA-N 437.499 5.010 30 20 IKED C=CCN(C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1nc2c(s1)CCCC2 60671405 OVGKWIYJAYBGFN-UHFFFAOYSA-N 432.549 5.499 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 62905029 MVUCERHRWSHRBO-UHFFFAOYSA-N 444.535 5.294 30 20 IKED Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1nc(C)c(SCC#N)s1 107900153 NMRQIARFOWACDK-UHFFFAOYSA-N 445.573 5.481 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CCc2nc(-c3cccs3)no2)cc1 108374922 JKABQNDDTQTRQP-UHFFFAOYSA-N 444.516 5.014 30 20 IKED C=CCc1cc(CN[C@H](c2cccc(OC)c2)c2cc(F)ccc2OC)cc(OC)c1O 237294081 BVODBNZXGWCTDL-RUZDIDTESA-N 437.511 5.165 30 20 IKED CCOc1ccc2nc(SCC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)[nH]c2c1 248378419 JLSHIPFXQAZQPI-MRXNPFEDSA-N 434.546 5.054 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1ncc(-c2ccc(F)cc2)o1 302639942 NXXJUWGBSIUGAO-UHFFFAOYSA-N 440.475 5.269 30 20 IKED C[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc(-n2cncn2)cc1 303705394 XZXKBRVILPUQKX-MRXNPFEDSA-N 443.894 5.076 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 426114986 APWOOOBXTLLVGA-UHFFFAOYSA-N 443.425 5.825 30 20 IKED N#CCSc1cccc(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)c1 429955009 YJDJSQQCMQOKNC-UHFFFAOYSA-N 437.956 5.193 30 20 IKED CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H](C#N)c1ccccc1F 430811670 RENDPXKNQLPEJX-MRXNPFEDSA-N 432.282 5.906 30 20 IKED N#Cc1ccc(-c2nnc(CNc3cc([N+](=O)[O-])ccc3Sc3cccs3)o2)cc1 434880976 RKMAUFZYYNGLIV-UHFFFAOYSA-N 435.490 5.341 30 20 IKED N#Cc1ccccc1COc1cccc(CN2CCC(c3ncc4n3CCCC4)CC2)c1 435061823 UOZVQEWJYHYQFA-UHFFFAOYSA-N 426.564 5.050 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 435352787 HPUUZHBRNHCZCN-INIZCTEOSA-N 441.478 5.720 30 20 IKED CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 437019387 NZNOBYFLHITSNA-UHFFFAOYSA-N 433.895 5.109 30 20 IKED CN(Cc1nccn1Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 438224179 OHGNNGXABYZUJW-UHFFFAOYSA-N 437.503 5.259 30 20 IKED C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 441398763 IHHTWNUKEFATNC-BRWVUGGUSA-N 444.000 5.323 30 20 IKED N#C[C@H](C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1nccc2ccccc12 442536089 AOZNYIINZQHALX-IBGZPJMESA-N 425.469 5.784 30 20 IKED CC(C)CC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1F 442669744 HMTRAJSHYPGNBL-AWEZNQCLSA-N 429.904 5.563 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)c1C#N 445562643 FMWVHQAJWDYCDS-UONOGXRCSA-N 426.904 5.001 30 20 IKED N#Cc1cccnc1-n1cc(NC(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)cn1 462605397 HNHSULKYFOHSRD-UHFFFAOYSA-N 449.898 5.335 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)o1 464405431 LAGWHGSFRTYSNU-QGZVFWFLSA-N 436.393 5.345 30 20 IKED Cc1nn(C(C)(C)C)cc1[C@@H](C)NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 464619855 FBVQGXZOTXVQNN-QGZVFWFLSA-N 438.620 5.031 30 20 IKED CCN(C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C1)CC(F)(F)F 464745287 VINHEDDDRTVIFJ-IBGZPJMESA-N 445.485 5.005 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)c1c(F)cccc1OC 466152290 OMQITDQOITVZCP-ZDUSSCGKSA-N 439.300 5.195 30 20 IKED C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469949124 AQGGTEQHNRWVFC-HNNXBMFYSA-N 444.362 5.394 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@H](c3ccsc3)O[C@H](C)C2)cc1 470593056 SJDHMLZGKHNOJK-WAIKUNEKSA-N 449.532 5.415 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Nc3cc([C@H]4CCCOC4)[nH]n3)cc2Cl)cc1 471249578 IKWJHKHCOGHZHJ-HNNXBMFYSA-N 437.887 5.265 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCC(NC(=O)C4CC4)CC3)cc2Cl)cc1 475017917 NYZSOUHJRJJNIJ-UHFFFAOYSA-N 437.927 5.027 30 20 IKED Cc1nc(CC2CC2)oc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 475032951 LWMICHXGNJMLGV-AWEZNQCLSA-N 432.332 5.856 30 20 IKED CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)CCc1c(C)nn(CCC#N)c1C 478211541 LVGNDIFDDCKKFH-QHCPKHFHSA-N 447.627 5.095 30 20 IKED Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 480707525 HJKOINRMUOCVTR-UHFFFAOYSA-N 427.529 5.162 30 20 IKED CC(=O)Nc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(C(F)(F)F)c1 482019372 YVOQHNBSDQIJSG-UHFFFAOYSA-N 439.393 5.580 30 20 IKED N#Cc1ccc(CN(C(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)C2CC2)cc1 482418897 UVSVEIFUHSFPRV-GOSISDBHSA-N 439.384 5.137 30 20 IKED CC[C@H](C)n1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C 482578273 GODPPVDNAHAJHU-NHYWBVRUSA-N 433.364 6.083 30 20 IKED CCS[C@H](C)c1noc(CN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)n1 482919439 MYZNMARBVPDJFG-OAHLLOKOSA-N 437.525 5.212 30 20 IKED N#C[C@H](C(=O)c1ccnn1-c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 483483621 HIOTUXOXKLOTEM-MRXNPFEDSA-N 439.327 5.793 30 20 IKED C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)c1ccc(Cl)c2ccccc12 483622320 NZYJRGVUGKYKLI-HUUCEWRRSA-N 441.940 5.062 30 20 IKED COc1cccc([C@@H]2CN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)CCO2)c1 484807778 DAEQDRPVCWARSY-DEOSSOPVSA-N 448.906 5.226 30 20 IKED CC(C)CCn1ncc(NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1C(C)C 487191074 VTEWSFWSNGKBGA-UHFFFAOYSA-N 439.951 5.407 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)CSc2cccc(C(F)(F)F)c2)cc1 487837735 HGYTZKHNRHWLMX-UHFFFAOYSA-N 432.389 5.260 30 20 IKED Cc1ccccc1NC(=O)Cc1nc(CSc2nc(C(F)(F)F)ccc2C#N)cs1 488741382 ZHBFKOZWPTZOQQ-UHFFFAOYSA-N 448.495 5.211 30 20 IKED N#CC1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccccc2Cl)CC3)CC1 489402959 COPPGJMBPIQMCS-XDJHFCHBSA-N 427.935 5.751 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3ccc(OC)cc3)no2)nnc1-c1ccccc1F 492564753 WABHSGNNHQJOPA-AWEZNQCLSA-N 437.500 5.182 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](c2cccc(C)c2)c2ccccn2)cc1 499026644 JWCRESBAABNPQJ-VWLOTQADSA-N 440.547 5.115 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1ccc(Br)s1 502690746 NHANEFACWSEXIP-AWEZNQCLSA-N 425.396 5.137 30 20 IKED COc1ccc(C)cc1CCNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 503889727 XPQIVXSJCNUXQU-UHFFFAOYSA-N 429.520 5.013 30 20 IKED N#CCCCCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 505092886 MANLBXMGKNHKOY-UHFFFAOYSA-N 443.938 5.224 30 20 IKED CCOC[C@@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 506783102 WSSBWCFZZCXZCA-LJQANCHMSA-N 427.932 5.071 30 20 IKED C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC(c2ncccc2Cl)CC1 508480576 IHSAYPJMUBPTJF-UHFFFAOYSA-N 430.943 5.112 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3Oc3ccncc3)c2)c1 509543485 ODXQUXZCZXDJEF-UHFFFAOYSA-N 434.455 5.250 30 20 IKED CC(C)OCc1c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)oc2ccccc12 509681606 DYFKKACMJNHUMO-UHFFFAOYSA-N 426.472 6.274 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2Cl)C(C)C)nnc1-c1ccccc1F 510310140 YBKRNRCCWVIAPJ-LJQANCHMSA-N 444.963 5.679 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(Cc2cccs2)CC1 510856737 KZFVNTFTEHPFTG-UHFFFAOYSA-N 432.549 5.070 30 20 IKED N#C[C@H](C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(C(F)(F)F)cn1 513210824 SJQVHMKZSBGVQK-IBGZPJMESA-N 446.881 6.536 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccccc2OCc2cscn2)c1 513288664 FUSMHBIYWOGEPC-UHFFFAOYSA-N 441.512 5.425 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(C(=O)Nc4ccccc4)c3)n2)cc1 513620274 RQTRGWKXYQNBNV-JOCHJYFZSA-N 437.524 5.861 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@](CO)(c3ccccc3)C2)cc1Cl 513907042 GLDOTVGRJLJJKE-SANMLTNESA-N 446.934 5.170 30 20 IKED N#Cc1cccc(-c2cc(-c3nc(-c4ccc(COCC(F)(F)F)cc4)no3)on2)c1 514886244 CZOXFTMLSIQWSJ-UHFFFAOYSA-N 426.354 5.009 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)COc1ccc(Br)cc1F 515451442 JNHINTHORDSYCL-UHFFFAOYSA-N 431.286 5.206 30 20 IKED Cc1nc(-c2ncccn2)sc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 515703291 NXWZXGKDWBBOAX-SFHVURJKSA-N 445.935 5.470 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3cccc(NC(=O)C4CCC4)c3)c2)cc1 517127386 ZPYDOESLAPPOAY-UHFFFAOYSA-N 440.503 5.411 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4c(s3)-c3ccccc3OC4)n2)cc1 518516632 PZEKEINEUBVGMA-GOSISDBHSA-N 439.521 5.793 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)cc1 520654559 MGCNJRUMFABCNL-UHFFFAOYSA-N 432.332 5.285 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)Nc1ccccc1SC[C@@H](C)C#N 521747897 DAMJSSVHYASSTE-RDJZCZTQSA-N 436.606 6.253 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2nc(-c3ccncc3)cs2)cc1 521863825 HJHPFHGSOZNBIA-UHFFFAOYSA-N 442.569 5.299 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)c1C 522779886 LRMJHYNBYZNQAP-AWEZNQCLSA-N 428.323 5.550 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3csc(-c4cc(Br)cs4)n3)[nH]c12 522828740 ZESJJVHCDUIQQC-LLVKDONJSA-N 443.351 5.309 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C 523643395 SSWMLHMNKLREQJ-RUZDIDTESA-N 440.547 5.069 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)CCCCCNC(=O)NC1CCCCC1 523714601 KMPRDKBXTDVVRW-UHFFFAOYSA-N 438.597 5.418 30 20 IKED COc1ccc2cc(CN(C)C(=O)c3ccc(COc4ccc(C#N)cc4)o3)ccc2c1 524385868 XQXDZKDZQMGYNN-UHFFFAOYSA-N 426.472 5.164 30 20 IKED COc1ccc([C@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c(Br)c1 527292807 VRYYYXGYGBZPCJ-HNNXBMFYSA-N 442.357 5.214 30 20 IKED N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC(CCc3cccc(C(F)(F)F)c3)CC2)cc1 527448579 OOTYUYCBAZKBLR-QFIPXVFZSA-N 439.481 5.131 30 20 IKED C=C[C@H](CC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1)c1ccccc1 533886592 VCWDKENXZBFPAM-DWXRJYCRSA-N 433.573 5.599 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)nc(-c2ccc(Cl)cc2)n1 533955923 ZJLIFYSTXQWUTQ-OAHLLOKOSA-N 437.837 5.340 30 20 IKED COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 536323159 DBZVRTGQUOHIKZ-CYBMUJFWSA-N 436.455 5.225 30 20 IKED C=CCC[C@@H](N[C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1)c1ccc(C(F)(F)F)cc1 539054474 POLUKLSOHMIOSD-DNVCBOLYSA-N 441.515 5.476 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(C)(C)Cc1nc2ccccc2[nH]1 539695113 YQHOJMFTPPPYFZ-UHFFFAOYSA-N 425.492 5.138 30 20 IKED C=CCN(C(=O)c1cn(-c2cccc(Cl)c2F)nn1)c1nc(-c2ccccc2)cs1 540663995 KTLAHZDJPGPAOV-UHFFFAOYSA-N 439.903 5.016 30 20 IKED CC(C)N(C[C@H](O)COc1cccc2ccccc12)C(=O)Nc1ccc(C(C)(C)C#N)cc1 543583477 GCBTVOZYZKDDQC-QHCPKHFHSA-N 445.563 5.323 30 20 IKED C[C@@H]1CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)CCC1(F)F 554925140 AHNXXWSFISXBCJ-LLVKDONJSA-N 444.429 5.133 30 20 IKED C=CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 562018238 UMHRAMSRRBTHIM-LJQANCHMSA-N 429.490 5.026 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccccc3N3CCCCCC3)CC2)c(F)c1 562108468 YJASHTHQLIPDNY-UHFFFAOYSA-N 436.531 5.153 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCN(c2ccccc2F)C1 562246787 ZKQNFNLJLFDOSP-CQSZACIVSA-N 437.462 5.315 30 20 IKED COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)N[C@](C)(C#N)CSC)cc1 569853623 XXUVSBQOZVCNBS-CJQNAUOBSA-N 443.572 5.105 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 574815950 CPOCPLQIRMMDEP-GUYCJALGSA-N 438.380 5.633 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 578471263 OKDFFQLUSCIZIC-GVAUOCQISA-N 444.579 5.450 30 20 IKED C[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1noc(-c2ccc(Cl)cc2)n1 581851203 BVNLLKVMWXGFAC-KRWDZBQOSA-N 444.922 5.691 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NCc1ccc(C#N)cc1F 588339544 DZPNEERFAMMLLG-UHFFFAOYSA-N 433.327 5.077 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(C)(C)c2cccc(C(F)(F)F)c2)cc1 589050850 DSSDNVHKVYSOFM-UHFFFAOYSA-N 430.470 5.436 30 20 IKED C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1cccc(OC(F)F)c1 603660062 ADHFJPNPIIOESW-CYBMUJFWSA-N 428.464 5.090 30 20 IKED N#Cc1ccc(S(=O)(=O)Nc2ccccc2SCC(F)(F)F)c(C(F)(F)F)c1 603973293 ZLNWTFIDXINGDA-UHFFFAOYSA-N 440.390 5.032 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 606831794 SDYGZGHKFQBCLO-HNNXBMFYSA-N 430.426 5.431 30 20 IKED C=CCCCCCN(C)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C 606940711 XNOVGAHJIJACND-OALUTQOASA-N 445.604 5.317 30 20 IKED CC(C)c1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cnn1-c1ccccc1 609064810 JFGCPBLUTCZVMR-UHFFFAOYSA-N 436.515 5.699 30 20 IKED CCCOCc1ccccc1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609079298 VCPHZVDBUPOYIZ-UHFFFAOYSA-N 443.547 5.694 30 20 IKED COc1ccc(-c2nc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)cs2)cc1OC 609414486 UCFSPXDBFOTZSY-CQSZACIVSA-N 448.331 5.129 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3Cc3c(F)cccc3Cl)cc2)nc1 609515767 CDIQQPWCDAPSAZ-SFHVURJKSA-N 435.886 5.385 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CN[C@@H](C)c2ccc(C#N)cc2)cs1 609598445 HOLIOXRHINXAIX-AWEZNQCLSA-N 444.482 5.569 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)c1C 610053582 BZHKHYGJRRJONF-UHFFFAOYSA-N 444.926 5.069 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C)n1-c1nccs1 613319725 JXQSSBUGLDBRNW-QGZVFWFLSA-N 438.965 5.818 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cnn1-c1ccc(Cl)cc1 613403815 VKDYYHLGHYULHJ-OAHLLOKOSA-N 427.316 5.587 30 20 IKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1 618783225 WLINMIYHSQIHOE-HSZRJFAPSA-N 441.556 5.015 30 20 IKED O=C(COc1ccccc1C(F)(F)F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642161242 FCNIANCLNKQBMV-NXEZZACHSA-N 437.302 5.110 30 20 IKED O=C(N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2 674471734 DSACXBOPUPXZAH-ITGNNIDWSA-N 437.346 5.335 30 20 IKED O=C(c1csc(-c2ccc(F)c(F)c2)n1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 679467400 JMFSBOFSCORJRB-UWVGGRQHSA-N 444.347 5.291 30 20 IKED CC(C)c1ccccc1-n1c(-c2cccnc2)nn(CN(CCC#N)CC(C)(C)C)c1=S 729467982 KRSWONJWDHFWTP-UHFFFAOYSA-N 448.640 5.808 30 20 IKED C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1cccc(N2CCOC2=O)c1 729571218 RTPXRLJBBHIGTK-KRWDZBQOSA-N 442.475 5.190 30 20 IKED N#C[C@@H](C(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1nc2cc(F)ccc2s1 730418483 VUZYDRFYHHVNMK-INIZCTEOSA-N 425.485 5.041 30 20 IKED CCc1cc(NN=Cc2cc(Cl)ccc2OCc2cccnc2)nc(-c2ccccn2)n1 730463832 SWDGUHUGQOLFQE-UHFFFAOYSA-N 444.926 5.174 30 20 IKED CC(C)(C)OC(=O)NC1CCC(=NNc2ncnc3sc(-c4ccccc4)cc23)CC1 731924517 JCFQCALGRZGFQG-UHFFFAOYSA-N 437.569 5.594 30 20 IKED C=CCOc1ccccc1CN(C(=O)c1cccc(C[S@](C)=O)c1)c1ccc(C)c(C)c1 732116021 VNUSHYXWWVHRTJ-YTTGMZPUSA-N 447.600 5.594 30 20 IKED Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 733621063 HMLXYHNZHAKADH-VWLOTQADSA-N 439.563 5.046 30 20 IKED Cc1cccc(C)c1NC(=O)COC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 735163672 MYMPEFXCQAZRMH-UHFFFAOYSA-N 434.879 5.416 30 20 IKED COc1ccc(NC(=S)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)cc1F 735981499 HNEJULXXBIVCMO-UHFFFAOYSA-N 442.356 5.603 30 20 IKED Cc1oc(-c2ccccc2F)nc1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 737502210 SGKQNZDEXYTLDF-GDNZZTSVSA-N 438.343 5.428 30 20 IKED CC(=NNc1cc(C)c2cc(Cl)ccc2n1)c1ccc(S(=O)(=O)CC(F)F)cc1 741758704 ZXNHSKHQEZSTCF-UHFFFAOYSA-N 437.899 5.072 30 20 IKED O=C1NC(=Nc2cccc(C(F)(F)F)c2)S/C1=C/c1ccc(Oc2cnccn2)cc1 743058490 HVRXAVDPRIJWOA-LICLKQGHSA-N 442.422 5.179 30 20 IKED COC(=O)N(C)Cc1ccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 743238839 WRNFOKDUGXWILF-UHFFFAOYSA-N 448.454 5.332 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc2cc(C(F)(F)F)ccc2n1C 744028406 HXDXFDBIAGMSGY-SFHVURJKSA-N 441.453 5.283 30 20 IKED C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Br)s1 744031438 XGZKSAUKODEODA-SCZZXKLOSA-N 446.153 5.268 30 20 IKED C[C@H](OC(=O)c1ccccc1-c1ccccc1C#N)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 746244827 PBPRGIIKTBVHSR-HNNXBMFYSA-N 440.415 5.101 30 20 IKED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)/C=C/c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc12 750726208 ZZRVTQPAMYAIPE-HSWBROFVSA-N 438.331 5.194 30 20 IKED COc1cc(/C=C/C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1OCC#N 750916966 QFUCOINFMOBXTR-DUXPYHPUSA-N 429.316 5.531 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCCCC[C@@H]3C[C@H](O)c3ccco3)c2)cc1 752105846 MNRYXTRMOYPZAX-NOZRDPDXSA-N 444.531 5.239 30 20 IKED COc1cccc([C@@H](C)CC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 753397038 XKGGTKXOKBAWSN-PGRDOPGGSA-N 428.488 5.329 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 754218064 HUJJXCWJUYHHFE-UHFFFAOYSA-N 444.491 5.653 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1C 754474282 PYIONEAGNUOCRG-UHFFFAOYSA-N 440.500 5.470 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cc1 759213744 JHLMWOBELQPVBZ-DEOSSOPVSA-N 439.515 5.243 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 760793179 YOBHIHBBOALJEY-UHFFFAOYSA-N 448.841 5.351 30 20 IKED COc1ccc2c(c1)OC[C@@H]2CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 760968022 GZIFPVDEBNPUFN-XHDPSFHLSA-N 432.423 5.066 30 20 IKED Cc1ccc(N2CCOC2=O)cc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 761476338 QSTFOLIJAOXTOZ-UHFFFAOYSA-N 447.878 5.521 30 20 IKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 761845539 JXHZGVUUEWEFDG-FNZWTVRRSA-N 441.531 5.612 30 20 IKED CC(=O)N(c1nc(/C=C2/CCOc3cc(C)ccc3C2=O)cs1)c1ccc(F)cc1F 763116764 OHCAVPUOCGQCNL-GDNBJRDFSA-N 440.471 5.463 30 20 IKED CC(C)Oc1ccc(-c2nc(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)cs2)cc1 764314311 JKTPMAQRNMLUOS-UHFFFAOYSA-N 442.884 5.283 30 20 IKED Cc1cc(Br)cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 766843090 UUAVINXEMMOOIX-ZDUSSCGKSA-N 426.097 5.026 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)c1nc2cc(C(F)(F)F)ccc2s1 766846220 JLMSAWQLKPWULT-IJLUTSLNSA-N 440.368 5.712 30 20 IKED COc1ccc(-c2csc3ncnc(NN=C(C)c4nc(C(F)(F)F)cs4)c23)cc1 767368990 YPPQZPPJRFTLDI-UHFFFAOYSA-N 449.483 5.678 30 20 IKED N#C[C@H](C(=O)Cc1ccn(-c2ccc(F)cc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 768765585 MRUBJMCTKRORJY-MRXNPFEDSA-N 444.413 5.059 30 20 IKED C=CCn1c(=S)sc2c(=O)n(Cc3ccc(Oc4ccccc4)c(F)c3)cnc21 771145151 GZKGBXJSNPQCCO-UHFFFAOYSA-N 425.510 5.155 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1SCC(=O)N1c2ccccc2Sc2ccccc21 777569798 IRVQWRVPXNECEG-UHFFFAOYSA-N 443.475 5.894 30 20 IKED C=CCC[C@@H](C(=O)OCc1csc(N(C(C)=O)c2ccc(C)cc2)n1)c1ccccc1 778553505 HDCOAQHWXMUIGT-HSZRJFAPSA-N 434.561 5.929 30 20 IKED C[C@H](NC(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1)c1ccc(-c2cccc(C#N)c2)cc1 782753858 OEKPIQDMXNZMCQ-GKVQRAMASA-N 445.588 5.645 30 20 IKED COc1cccc(NC(=O)/C(=C/c2ncc(C(F)(F)F)s2)C(=O)c2ccccc2)c1 788351480 VVGJXIRUYHLJLN-LFIBNONCSA-N 432.423 5.076 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl 789449026 BGACSQSCUGUGIF-NRFANRHFSA-N 443.035 6.722 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Cc2csc3ccc(Br)cc23)c1 791592177 HNSYAPQHKFWFDC-QGZVFWFLSA-N 443.366 5.204 30 20 IKED COc1cc2c(cc1OC)C(=O)/C(=C\c1cccc(NC(=O)c3ccccc3Cl)c1)C2 794960590 FQYMYPKAUCFFSY-YVLHZVERSA-N 433.891 5.432 30 20 IKED C#C[C@@H](NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)c1ccc(Cl)cc1F 805777843 MZRMEUXIXHUMFE-XHDPSFHLSA-N 445.869 5.218 30 20 IKED Fc1ccc(C2OCCO2)c(Cl)c1CNC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 812824233 WHWGPVWJKYGADD-NXEZZACHSA-N 449.794 5.524 30 20 IKED CC(=NNc1ncc(C(F)(F)F)cc1Cl)c1ccc(S(=O)(=O)C2CCCC2)cc1 914692980 DOMPQGMHYHXZQU-UHFFFAOYSA-N 445.894 5.306 30 20 IKED Cc1nn(-c2ccccc2)c(Cl)c1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 915107086 LTXFSDRSSMOJRY-CQSZACIVSA-N 425.826 5.069 30 20 IKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc(Cl)c1 916211984 ISTDYFWTFZSWGO-LJQANCHMSA-N 445.972 5.109 30 20 IKED N#C[C@H](C(=O)CSc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1Cl 916928519 NAJCRTQBCDDEMS-QGZVFWFLSA-N 429.328 5.586 30 20 IKED CC(=O)Nc1ccc(S[C@H](C)C(=O)N2/C(=N/Cc3ccccc3)SCC2(C)C)cc1 917556797 MZZLQPQDSNTSIA-RNKPHZFSSA-N 441.622 5.036 30 20 IKED Cc1cccc(C(=O)Nc2cccc(OCCCC#N)c2)c1NC(=O)c1ccccc1F 918330734 ACBOPWMFLMWKFX-UHFFFAOYSA-N 431.467 5.321 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(N3CCCCC3=O)cc2)cc1 919773287 AYJKPVHJALFLQN-RUZDIDTESA-N 438.531 5.181 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@H](C#N)c2ccccn2)c(OC)c1 920107518 BGKVECKANBLYMK-OAQYLSRUSA-N 425.488 5.056 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCCc3ncc(-c4ccccc4)o3)n2)cc1 920138279 CFTWVUJRCOCSOR-HXUWFJFHSA-N 443.528 5.673 30 20 IKED COc1ccc(C(=O)CCCC(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 920139213 OVYFLPDKLBZSSI-FQEVSTJZSA-N 434.517 5.057 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4c5ccccc5n(C)c4s3)n2)cc1 920144243 ZCCFKPFKSVOUBV-GOSISDBHSA-N 443.553 6.015 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(C3SCCS3)c2)cc1C 920848974 KFZIAKIKRKOLNP-UHFFFAOYSA-N 448.617 5.812 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccoc5s4)CCC3)cc2)cc1 1790287731 QABNOURLRQWNCB-UHFFFAOYSA-N 441.512 5.427 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CC=CCC4)cc3)CCC2)c1 1790467949 CJHVDWXYNITOSO-PMACEKPBSA-N 427.548 5.418 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc4nc(C)ccc4o3)CCC2)cc1 1791299608 RBPHBSGGIFSLIK-UHFFFAOYSA-N 439.462 5.095 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4ccc(Cl)cc4[nH]3)CCC2)cc1 1791580991 ULLKWFZZBPDKFF-UHFFFAOYSA-N 433.939 5.373 30 20 IKED C[C@@]1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)CC=CCC1 1791992841 WADPBDPAXBCGOL-AREMUKBSSA-N 427.548 5.247 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C)cc2C)[C@@H]1c1cccnc1 1802495887 NXBUETWUULXQBL-LADGPHEKSA-N 433.596 5.010 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3occc3c2)[C@@H]1c1cccnc1 1810500732 VBJNCDVCJYAXBP-ISKFKSNPSA-N 445.563 5.140 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3cc[nH]c23)CC1 1828315430 RGTJJGAENLJRTK-DEOSSOPVSA-N 433.596 5.170 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc(F)c2F)CC1 1831569693 KKXGRYSPWONYKD-QFIPXVFZSA-N 446.582 5.119 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10763984 DHMBZDGCQRJSEW-UHFFFAOYSA-O 443.951 5.389 30 20 IKED C[C@H](Sc1nnc(Nc2cccc(F)c2)s1)C(=O)Nc1ccc(C#N)c(Cl)c1 18467063 RBWZPVVMNXILKF-JTQLQIEISA-N 433.921 5.065 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(C(C)C)cc2)cc1 22728641 QGQUBAZXAMHUQD-UHFFFAOYSA-O 439.551 5.989 30 20 IKED N#C[C@H](C(=O)c1nn(-c2ccccc2)c2c1CCC2)c1nc(-c2c(F)cccc2F)cs1 64714837 FMFJZXQDLRPDFR-MRXNPFEDSA-N 446.482 5.253 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(C3CC3)no2)nnc1-c1ccc(Br)cc1 97493800 JROSIOZOSYUORD-NSHDSACASA-N 432.347 5.007 30 20 IKED C=CCc1ccc(OCC(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)c(OC)c1 107624617 SQCHETYMPQUUJI-UHFFFAOYSA-N 440.515 5.099 30 20 IKED Cc1nc(CCC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)oc1-c1ccccc1 303356134 ZMWNDJFKLJFMOI-UHFFFAOYSA-N 428.517 5.140 30 20 IKED CC1CCN(C[C@H]2CCCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)C2)CC1 303368595 RVVRQTWEOOWFGB-JOCHJYFZSA-N 432.568 5.326 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(COCC(F)(F)F)cc1 303387025 NXNGKPRPKKRZLZ-OAHLLOKOSA-N 437.487 5.339 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](Cc1ccccc1)c1ccccc1 303395549 PNQZZEPWUQTRAX-RDPSFJRHSA-N 429.589 5.593 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H](C(=O)c4ccc(F)cc4)C3)c2)cc1 303734771 GBNHGSDDCODYPN-OAQYLSRUSA-N 428.463 5.225 30 20 IKED CCc1nc(C)c(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1 428354279 YRJBINWLHFXURF-AWEZNQCLSA-N 434.302 5.976 30 20 IKED N#C[C@@H](C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1nc(-c2ccncc2)cs1 434624315 GOXLFXRLWWKGLZ-INIZCTEOSA-N 434.427 5.161 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cc(C#N)oc1C 436140455 IYIADWUUVBHAMA-UHFFFAOYSA-N 427.382 5.292 30 20 IKED CN(C(=O)c1cccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1)c1ccccc1 437814694 IRYHJLKOFYVXLE-JWQCQUIFSA-N 438.531 5.267 30 20 IKED CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 437906314 GWOQCPCHQJMBOY-JOCHJYFZSA-N 426.511 5.067 30 20 IKED Cc1cccc2nc(C3CCN(Cc4cn(CCC#N)nc4-c4ccccc4)CC3)oc12 438333097 GJSMNXYSPNDSJU-UHFFFAOYSA-N 425.536 5.293 30 20 IKED Cc1cc(NC(=O)N[C@H](CCC#N)c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 439113637 CEBVFXUXAWCFRC-LJQANCHMSA-N 427.430 5.366 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(F)c(Br)c3)n2)cc1 442872109 JCTJNMJZUFZDBC-AWEZNQCLSA-N 426.270 5.073 30 20 IKED Cc1cc2c(Br)ccc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)c2o1 443529926 NJRRHEJOMSEJBY-OAHLLOKOSA-N 438.306 5.512 30 20 IKED N#CCCCn1cc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)c2ccccc21 443923884 ZMHXBMBMGGHUOL-HSZRJFAPSA-N 431.586 5.856 30 20 IKED N#Cc1cccnc1OC1CCC(NC(=O)Nc2ccccc2Cc2ccccc2)CC1 446035391 KTWXKFDWITYOIE-UHFFFAOYSA-N 426.520 5.056 30 20 IKED Cc1cnccc1OC1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 446308210 SLRXGGNTCLYISL-UHFFFAOYSA-N 446.482 5.268 30 20 IKED Cc1nnc(Sc2ccc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)c(C)c2)s1 447444216 YIQFGIHQJZIIIA-UHFFFAOYSA-N 433.518 5.085 30 20 IKED C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 460961357 VHESZQGRUXWDEY-JWMLVYTLSA-N 436.625 5.331 30 20 IKED N#Cc1cccc(Cl)c1N1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 462852535 LUBYNEHOCMBMIJ-UHFFFAOYSA-N 439.840 5.024 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2Cl)c2ccccc2OC)cc1 466083610 XXHIJMVMIUCZNR-QHCPKHFHSA-N 449.938 5.176 30 20 IKED CCCCCn1c(SCCCSCC#N)nc2ccc(Br)cc2c1=O 466618964 HTNDMIDWBJJTFM-UHFFFAOYSA-N 440.432 5.088 30 20 IKED C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(Oc2nncc3ccccc23)cc1 468345617 IDDZKFDOGCYQGO-UHFFFAOYSA-N 427.460 5.248 30 20 IKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1cn(CCCC#N)c2ccccc12 468762775 AQYGBLAQNHSZBT-UHFFFAOYSA-N 426.520 5.305 30 20 IKED Cc1c(COc2ccccc2)cccc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 472879487 MYTOAUVOGYQONR-AOYPEHQESA-N 425.532 5.878 30 20 IKED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)c1 473390066 PZSLRNYDLPFQFX-QHCPKHFHSA-N 435.483 5.101 30 20 IKED CCO[C@H]1C[C@@H](N(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C12CCC2 478599302 PXBQUUPGOVMOAF-RPWUZVMVSA-N 433.552 5.143 30 20 IKED C=CCC[C@@H](N[C@H](C)c1cc(S(N)(=O)=O)c(C)cc1C)c1ccc(C(F)(F)F)cc1 479426537 XJQHXGGOQWLHBS-OXQOHEQNSA-N 440.531 5.328 30 20 IKED COc1cc(OC2CC2)ccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 480040942 JFASEUKOORBDPV-UHFFFAOYSA-N 428.488 5.248 30 20 IKED C=CCOCCCc1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1 480333530 KHONAMHXFFRDCH-UHFFFAOYSA-N 439.821 5.731 30 20 IKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 481931265 LNHVNDRTSXSMFD-UHFFFAOYSA-N 439.459 5.106 30 20 IKED Cc1ccccc1NC(=O)[C@H]1CCc2ccccc2N1C(=O)c1ccc(C(C)(C)C#N)cc1 483467542 ZITNQXUVHAYESI-RUZDIDTESA-N 437.543 5.397 30 20 IKED CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)s1 486676761 UEUCQFATCCMHJK-ZDUSSCGKSA-N 427.913 5.729 30 20 IKED CC(C)(C#N)c1ccccc1CN1CCC(C(=O)Nc2cccc(Br)c2)CC1 487372474 XOLJLBZTDDJWJP-UHFFFAOYSA-N 440.385 5.101 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1-c1cccc(OC)c1 488873749 CXCYDNINNMSUPN-OAHLLOKOSA-N 442.972 5.221 30 20 IKED CC(=O)Nc1cc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)ccc1C 502315839 ITBHQDUXACYDNA-UHFFFAOYSA-N 428.492 5.243 30 20 IKED N#Cc1cn(CCOc2ccc(Cl)cc2Br)c2ccc(Cl)cc2c1=O 502818271 SSLKUXUPSVUWKX-UHFFFAOYSA-N 438.108 5.021 30 20 IKED CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)cc1 503068297 XHLRHRDFYDTCRN-MHZLTWQESA-N 449.558 5.262 30 20 IKED CCCc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)[nH]c(C)c1C(C)=O 505677190 HZAYVFTXWKOIHX-UHFFFAOYSA-N 431.492 5.403 30 20 IKED C[C@H]1CCCCN1C[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 505914363 YLEIEVVJKZTZPB-GMAHTHKFSA-N 431.580 5.272 30 20 IKED O=C([C@@H]1CCCC(F)(F)C1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 506010230 VCRDHEGVYRDORN-IAQYHMDHSA-N 445.350 5.450 30 20 IKED CC(C)Oc1ccc([C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 507502908 FBPNJBPUJWZCTN-LJQANCHMSA-N 430.573 6.129 30 20 IKED C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(=O)c2cc(F)ccc2F)CC1 508464890 ORVSBYBOYYTCGQ-UHFFFAOYSA-N 442.897 5.162 30 20 IKED C=C(C)CCc1noc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)n1 508643420 INOJTKOATNTHSA-UHFFFAOYSA-N 441.944 5.424 30 20 IKED C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1sc2c(c1C#N)CCC2 510213267 VZAOHIFNPGNEEI-AWEZNQCLSA-N 430.558 5.161 30 20 IKED C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511477816 QWQPJWWMWUEEIZ-OAHLLOKOSA-N 434.446 5.314 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)c1 513219919 VPPKMCPNNKOYEY-UHFFFAOYSA-N 448.469 5.099 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(N3CCCCC3)cn2)cc1 513615113 NKZQLFARNJWIGW-UHFFFAOYSA-N 428.561 5.488 30 20 IKED CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 515902804 GZACOOPFTCUUDS-UTKZUKDTSA-N 425.960 5.267 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccnc(OCc4ccccc4)c3)n2)cc1 516270107 NBOGAPJUSVXOQX-NRFANRHFSA-N 441.512 5.283 30 20 IKED Cn1nccc1C1=CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 516918887 ZXXHILIQALIWLG-OAQYLSRUSA-N 431.927 5.050 30 20 IKED Cc1ccc(CN(Cc2ccco2)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)s1 519974708 RDFCJWQIMDOTAK-UHFFFAOYSA-N 432.467 5.432 30 20 IKED CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 521309974 ZNICHUNXYCHCSX-LJQANCHMSA-N 446.378 5.158 30 20 IKED Cc1ccc(N(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C2CCCCC2)nc1 522302958 CDSCANILLNBXMQ-UHFFFAOYSA-N 425.532 5.820 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2cccc(C(F)(F)F)c2)cc1 522323816 DKWCXCLYHMFORA-UHFFFAOYSA-N 441.428 5.628 30 20 IKED N#Cc1ccsc1C(=O)Nc1nc(C2CC2)c(Cc2cccc(C(F)(F)F)c2)s1 522373881 WTOMGHCCQUZFJU-UHFFFAOYSA-N 433.480 5.816 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)NCc2ccc(CN3CCCCCC3)cc2)c1 522595204 XRTANFAJEXGZHB-UHFFFAOYSA-N 443.547 5.036 30 20 IKED CC(C)OCCCn1c(S[C@H](C)c2ccc(C#N)cc2)nc2cc(Cl)ccc2c1=O 522822551 DGPZZRBGLKRIBI-MRXNPFEDSA-N 441.984 5.590 30 20 IKED C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 523139436 UYZVYGURSUWCQD-SJCJKPOMSA-N 425.248 5.028 30 20 IKED CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 523311358 KZHGESUKRGRBIA-UNMCSNQZSA-N 437.971 5.361 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N[C@H](Cc3ccccc3)c3cccs3)o2)cc1 523887510 OSCHVYSVSSSNFL-JOCHJYFZSA-N 428.513 5.506 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 524191572 CKLJIUMWXUKHNA-UHFFFAOYSA-N 446.894 5.564 30 20 IKED CCCCCNC(=O)C1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 524648032 VRLGWSQRFJGAMJ-UHFFFAOYSA-N 449.620 5.009 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(CSc2ccc(C#N)cc2Cl)cs1 532856013 LSKCKVXNIDEQRN-UHFFFAOYSA-N 434.373 6.298 30 20 IKED C[C@@H](O)C[C@H](CNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccccc1 534148809 GPMHAJRFOPOEDO-DYESRHJHSA-N 434.923 5.288 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1ccc([S@](C)=O)cc1 534476563 XDJYSBJYUDGERO-MYGHRHJXSA-N 433.533 5.279 30 20 IKED C=CCN(Cc1nc(O)c2c(C)c(C)sc2n1)Cc1cc(Br)ccc1F 534849121 WLNHOHZWXQYHTE-UHFFFAOYSA-N 436.350 5.104 30 20 IKED Cc1nnc(N(CCC(C)C)C(=O)CCCCOc2cccc(C#N)c2)c2ccccc12 539006380 UFDFOWOYJKSZPD-UHFFFAOYSA-N 430.552 5.438 30 20 IKED N#CC1(c2ccc(C(=O)N(Cc3cccnc3)c3ccc(Br)cc3)cc2)CC1 540729376 JVLBNESDBUMAKC-UHFFFAOYSA-N 432.321 5.246 30 20 IKED CCN(CC)C(=O)CCC1CCN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)CC1 541140565 WBHZUMLSQISLSR-UHFFFAOYSA-N 447.579 5.160 30 20 IKED COc1cccc(C=C2CCN(C(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)CC2)c1 542029074 ZLQRSLFISPHTJR-UHFFFAOYSA-N 447.926 5.117 30 20 IKED N#Cc1ccc(OCc2ccc(-c3nc(-c4cnc(Oc5ccccc5)cn4)no3)o2)cc1 546514053 FGDQXOOVRYGDMM-UHFFFAOYSA-N 437.415 5.030 30 20 IKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)N(Cc2ccccc2)c2ccccc2C#N)cc1 557327695 QTKSQVXLQINHOT-SFHVURJKSA-N 429.545 5.231 30 20 IKED CCN(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@H](c1cccnc1)c1ccc(F)c(F)c1 579313395 NMOQJXGPFAXBSF-DEOSSOPVSA-N 444.441 5.138 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccn(-c2ccc(Br)cc2)n1 581324556 IETOPFXODWOTCR-AWEZNQCLSA-N 441.354 5.281 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604317356 LBTSDEILAHUAPZ-WDNDVIMCSA-N 437.384 5.376 30 20 IKED CCOC(=O)c1sc(NC(=O)c2csc(-c3cccc(Cl)c3)n2)c(C#N)c1C 604480606 PPOIWEUNDYNLPT-UHFFFAOYSA-N 431.926 5.134 30 20 IKED CC[C@@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1c(C)noc1C 608937541 DKHXQWZKGVHJGF-MRXNPFEDSA-N 448.470 5.362 30 20 IKED C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 609056576 CIRLPRWWUWJUCV-HXUWFJFHSA-N 443.547 5.035 30 20 IKED CCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(Br)cc1 609056976 ZNPDCOQIPDLSPQ-UHFFFAOYSA-N 425.282 5.159 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(O[C@@H](C)c2ccccc2)cc1C 609067387 XYEVWFXUUZKKIN-FQEVSTJZSA-N 444.531 5.813 30 20 IKED CCC(CC)CN(CCC#N)C(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 609188440 YVDCSFDWPIKBON-UHFFFAOYSA-N 431.378 5.044 30 20 IKED COCCSc1ccc([C@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 609437027 LOFHACCPRHGRKL-IRXDYDNUSA-N 429.611 5.702 30 20 IKED COc1ccc2[nH]cc(CCNC(=O)c3ccccc3Sc3ccccc3C#N)c2c1 609583758 JECMGLQGKOUIGG-UHFFFAOYSA-N 427.529 5.172 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1c(C)c(C(C)(C)C)nn1-c1ccccc1 609744949 FFZQKSUNFBQGSQ-UHFFFAOYSA-N 445.567 5.030 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCCC[C@H]2c2noc(C3CC3)n2)c1 609975643 UXLIFRUFEVDRKW-FQEVSTJZSA-N 448.910 5.632 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(-c4cn5cccnc5n4)cc3)c2)cc1 609987711 UEDUPIIEJLIUBK-UHFFFAOYSA-N 430.471 5.264 30 20 IKED CC(=O)N1CCCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c2ccccc21 610235279 ZFWZZVBSFNMOKX-UHFFFAOYSA-N 445.906 5.407 30 20 IKED COCc1ccc(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)cc1 610480803 ZHWSUGQCDHBFOJ-UHFFFAOYSA-N 437.540 5.041 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 610599126 BFRHRCNDHWVLFH-RTBURBONSA-N 441.478 5.741 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H](C[C@@H]3CCOC3)C2)cc1 611357719 JPGCIGZZKNATKO-UXHICEINSA-N 435.524 5.030 30 20 IKED CCCc1c(NC(=O)Cc2sc(C)nc2-c2cccs2)cnn1-c1cccc(C#N)c1 615291654 CDSLWOPGOZYRDD-UHFFFAOYSA-N 447.589 5.371 30 20 IKED C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 670194750 SBRSTJXBRNLMDZ-GOSISDBHSA-N 429.524 5.055 30 20 IKED Cn1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(-c2ccccc2)n1 678572098 BGELZESLCYWZCK-AWEZNQCLSA-N 426.423 5.206 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(OC(C)C)c1 682766506 ZGIXUTJZHUVLPR-OAHLLOKOSA-N 434.439 5.601 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3sc(N4CCCC4)nc3Cl)cc2)c1 728082212 RYOKTRVJLIIDHV-UHFFFAOYSA-N 438.940 5.100 30 20 IKED CC(C)CCN(CCC#N)Cn1nc([C@@H](C)N2CCCCC2)n(-c2ccccc2)c1=S 728901580 NAEAQVGGGCXHLY-OAQYLSRUSA-N 440.661 5.169 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)OCc2nnc(-c3cccc(Cl)c3)o2)cc1 730375536 JIOHYALLKNODNC-UHFFFAOYSA-N 449.825 5.550 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1c(F)c(F)c(F)c(F)c1F 731040417 RLWUCQXQZFMECF-SNVBAGLBSA-N 446.466 5.648 30 20 IKED CN(C(=O)c1ccco1)c1ccccc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 731345428 UMPCKPLDZDQIKJ-UHFFFAOYSA-N 437.455 5.472 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)OCc3csc(Cc4ccccc4)n3)cc2)nc1 732402295 PNRMBFMLNAIQKC-UHFFFAOYSA-N 427.485 5.150 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cccc(-c3ccccc3OC)c2)ccc1OC 733634964 YYBCJGSCTCPWJH-OAQYLSRUSA-N 445.519 5.373 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cc3oc4ccccc4c3cc2OC)c1 733799469 OJXXJKOJNNEYOI-QGZVFWFLSA-N 429.476 5.597 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1 733842506 XVGXYTHWBRLLHM-GOSISDBHSA-N 446.473 5.308 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N(Cc3cccs3)C[C@@H]3CCCO3)c2)s1 740483751 WEIUABKOOVBVMS-IBGZPJMESA-N 437.590 5.239 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)cc1 741429842 HCIGWPDGFBEFTO-QFIPXVFZSA-N 440.503 5.163 30 20 IKED CCCCOc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)CC(F)(F)F)cc2)cc1 741851619 BVFIPGBVYKYYQC-AWNIVKPZSA-N 426.456 5.098 30 20 IKED Cc1sc(NC(=O)CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(C)c1C 742261501 LNHOGBPXDPIXEG-UHFFFAOYSA-N 439.968 5.828 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3cc(C(F)(F)F)ccc3n2C)cc1 744034037 YLEQQLJMYWQJQK-KUHUBIRLSA-N 441.453 5.672 30 20 IKED CC(=O)Nc1ccc(C(C)=NO[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 744446130 ZUNMYXRCXAHSFS-CYBMUJFWSA-N 432.402 5.216 30 20 IKED C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 746660336 QROYCJOAYBYRAZ-MBSDFSHPSA-N 427.504 5.214 30 20 IKED C[C@H](OC(=O)c1ccc(Sc2ccccc2C#N)cc1)C(=O)Nc1c(F)cccc1F 748234543 FQDMTGBPAFPUJT-AWEZNQCLSA-N 438.455 5.172 30 20 IKED Oc1ccc(-c2ccccc2)cc1C=Nn1c(S)nnc1-c1ccc(OC(F)F)cc1 749443772 JUUHTKBGAIMTCO-UHFFFAOYSA-N 438.459 5.090 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C[C@@H](O)c1ccc(F)cc1)C1CC1 750592657 NJRNWHTUHYOATP-RUZDIDTESA-N 445.494 5.528 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Cc2csc3ccc(Cl)cc23)ccc1OC 751964837 HSPUSAPKCRYAST-QGZVFWFLSA-N 428.941 5.103 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=C[C@H]1CCOc2ccccc21 752158533 RZQITCHWPTWWNR-MRXNPFEDSA-N 435.936 5.487 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)c2cc3cccc(OCC)c3o2)cc1C#N 752303686 DRLUTWAOQYCJDV-CQSZACIVSA-N 436.468 5.154 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cc1 759209009 LJKTTXNHDNEIDL-KOSHJBKYSA-N 439.515 5.414 30 20 IKED C[C@H](OC(=O)c1cc2ccccc2n1CC#N)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 761143608 PVLVDJYVLWBJNB-LBPRGKRZSA-N 441.274 5.440 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1cccc(Oc2nccs2)c1 764753382 MNZQHCRTFQJXET-UHFFFAOYSA-N 435.292 5.263 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@@H]2c2nc3ccccc3s2)c1=S 764848543 KZELWUPOSQILHM-LJQANCHMSA-N 448.621 5.456 30 20 IKED C[C@@H]1C[C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCN1C(=O)OC(C)(C)C 772231364 QDKQRNUCGFGQJD-SXSPYAJSSA-N 448.567 5.252 30 20 IKED C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 772310437 IGHJKQAOKDESQP-WIYYLYMNSA-N 449.551 5.063 30 20 IKED C[C@@H](NC(=O)[C@H](C#N)C(=O)C1CCC(C(F)(F)F)CC1)c1ccc(Cl)cc1Cl 774258522 BMESPOPTJMFQNN-TVRADYJESA-N 435.273 5.248 30 20 IKED COc1ccc([C@@H](NC(=O)c2ccccc2OCC#N)c2ccc(C(F)(F)F)cc2)cc1 779452965 PJJAAJZUMXNRRQ-QFIPXVFZSA-N 440.421 5.136 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 780678036 KDTNJPLPWZMSEO-ROUUACIJSA-N 433.483 5.578 30 20 IKED C[C@@H](OC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(C#N)c1 782464057 URFLIBPWRNWPHQ-CQSZACIVSA-N 449.850 5.290 30 20 IKED N#CCCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 784128365 XYZLZVKIFIBYHH-QFIPXVFZSA-N 442.544 5.104 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(COc2ccc(Cl)nc2)CC1 790094579 URBKVSKUOKADTJ-UHFFFAOYSA-N 431.923 5.205 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)/C=C/Sc1cc(F)ccc1F 797939059 AHJAZTBYXZXMNT-MARXPDLDSA-N 448.516 5.147 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 798817019 SQDRYBPIDXWLDZ-SWLSCSKDSA-N 438.833 5.127 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Oc2ccccc2)cn1 799602193 KIVGCJKZXNOBOF-MRXNPFEDSA-N 426.259 5.142 30 20 IKED CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[C@@H](C#N)c1nc2ccccc2o1 805860372 DMZGTQFBGDGZBD-YLJYHZDGSA-N 433.508 5.296 30 20 IKED Cc1cc(COc2ccc(/C=C/C(=O)c3cc4c(C)nn(C)c4s3)cc2)oc1C(=O)O 806579184 YRYRARCMTJWHBQ-RMKNXTFCSA-N 436.489 5.018 30 20 IKED N#Cc1ccc(-c2nnc(CNc3cc(Cl)ccc3C(=O)c3ccc(F)cc3)o2)cc1 809195525 SUCDWFGOPJHHNS-UHFFFAOYSA-N 432.842 5.244 30 20 IKED CN(C)c1ccc(CN(Cc2ccco2)Cc2cn(CCC#N)nc2-c2ccccc2)cc1 809731792 QWIACQVKBIXFKV-UHFFFAOYSA-N 439.563 5.325 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 810822970 XHYCCVMKGSRWLZ-UHFFFAOYSA-N 444.491 5.653 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl)c1ccccc1 814615692 OCGNKKHDJJGRCI-QZTJIDSGSA-N 448.419 6.529 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2sc3ccc(Br)cc3c2C)c1 815907642 GPDKTXAUFOFJMW-MRXNPFEDSA-N 427.323 5.242 30 20 IKED C[C@@H](OC(=O)c1ccccc1-c1ccccc1C#N)C(=O)Nc1ccccc1Br 863940035 WKQTZCZGKJDICS-OAHLLOKOSA-N 449.304 5.172 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2sc3nccc(C)c3c2C)c1 914919734 XABVLHXSRPOUTG-SFHVURJKSA-N 435.549 5.022 30 20 IKED CCCOc1c(Cl)cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC 915086875 NKHKMGIZTVLJDS-OAQYLSRUSA-N 434.923 6.045 30 20 IKED Cc1oc(-c2cccs2)nc1CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915105048 YMJCUBJNSCYGCT-GFCCVEGCSA-N 447.463 5.759 30 20 IKED CCCCn1nc(C)c(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)c1Cl 916310291 WRVYTMGRMBVIHD-UHFFFAOYSA-N 439.972 5.274 30 20 IKED N#C[C@H](C(=O)CCCc1ncc(-c2ccccc2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 916946286 PMORRRRFMNDZSZ-GOSISDBHSA-N 442.302 5.319 30 20 IKED N#C[C@H](C(=O)COCCOc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997042 RNKUZVABMVPVQR-QGZVFWFLSA-N 447.343 5.389 30 20 IKED N#C[C@@H](C(=O)CCCc1nc(-c2cccs2)no1)c1nc2cc(Cl)ccc2s1 917046573 KLRMACWNRDATPS-LBPRGKRZSA-N 428.926 5.260 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 917429903 YMICUKUZNZSMEO-CQSZACIVSA-N 432.471 5.318 30 20 IKED COc1ccc(Cl)cc1C=Nn1c(S)nnc1COc1cc(C)ccc1C(C)C 917542020 WNHBBFBBKCCDNE-UHFFFAOYSA-N 430.961 5.122 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(C(F)(F)F)cc2)cs1 917560498 OQCXYMMBWVLELI-FLIBITNWSA-N 434.414 5.882 30 20 IKED C=CCOc1ccc(/C=C/C(=O)N(Cc2cccnc2)Cc2ccccc2C)cc1OC 918665296 JDXLKUOUVHIYBZ-WYMLVPIESA-N 428.532 5.206 30 20 IKED O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(N2CCOC2=O)cc1 920749501 JHNLRENYPFNMLS-JYRVWZFOSA-N 446.890 5.445 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C)s3)CCC2)cc1 1786364908 WFPGJHYSJFGJLG-UHFFFAOYSA-N 440.609 5.106 30 20 IKED Cc1ccc(-c2cc(C(=O)NC3(c4ccc(NC(=O)CCC#N)cc4)CCC3)c[nH]2)cc1 1787884886 DMMVZBRWZCJZET-UHFFFAOYSA-N 426.520 5.042 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)c(C(F)(F)F)c3)cc2)CCC1 1791192726 BOZBJBVGQZASLA-UHFFFAOYSA-N 434.433 5.097 30 20 IKED N#CCCC(=O)NC1(c2ccc(NC(=O)C3(c4cccc(Cl)c4)CCCC3)cc2)CCC1 1791524926 VUQLQHIOCRSYNP-UHFFFAOYSA-N 449.982 5.590 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc4cnccc34)CCC2)cc1 1791728824 AILTVDWKYZMDRQ-UHFFFAOYSA-N 425.532 5.176 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(C(C)(C)C)nc3)C2)CC1 1804710692 JXSRUZIJONMHQS-UHFFFAOYSA-N 439.644 5.216 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C3CC3)cc2)[C@H]1c1cccnc1 1811847318 GFOZGOIPUTYTQZ-JIMJEQGWSA-N 443.591 5.047 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccnc1 1811949822 GDMIDNNEPMCKGA-JWQCQUIFSA-N 447.623 5.517 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C(C)=C/c2cccs2)n[nH]1 1814409456 QHGNQDIPZNTXGD-RLHAVTDZSA-N 438.597 5.335 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccsc2)CC1 1828904168 RLYDRNFYWJCBTH-JOCHJYFZSA-N 444.717 5.033 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ccn(C)c23)CC1 1829066564 JLQQWESOHISMBK-DEOSSOPVSA-N 449.639 5.404 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1830994953 KFMODMBLSKBUGA-VGSWGCGISA-N 442.003 5.267 30 20 IKED CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)CCCCC1 1831791106 SZODTNHGLSOUPZ-RUZDIDTESA-N 449.639 5.081 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2ccccc2)c1 10174161 UEWQRCABTSHYLH-UHFFFAOYSA-O 445.486 5.540 30 20 IKED Cc1cc(C)c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2cccc(O)c2)cc1C 10830607 CTHXYSYXUHPRGJ-UHFFFAOYSA-O 425.961 5.309 30 20 IKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N[C@@H](C)c1ccc(C#N)cc1 26128392 XJAWTKAFDBMEIG-INIZCTEOSA-N 425.488 5.386 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)s1 32290758 OLBARGHDWRQGOI-UHFFFAOYSA-N 445.569 5.812 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)C(CC)(CC)Cc2nc3ccccc3s2)cc1 32938726 ZUCKKWTYFQPODB-UHFFFAOYSA-N 436.581 5.591 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 60978918 NRKTXKRGMSQWOI-UHFFFAOYSA-N 436.606 5.213 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 62414000 IIPITBMLWMGTOD-UHFFFAOYSA-N 425.891 5.673 30 20 IKED Cc1oc(-c2cccs2)nc1CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 71937999 DSUHJSJEOOTAKJ-UHFFFAOYSA-N 445.519 5.494 30 20 IKED N#CCOc1ccc(C(=O)/C=C\c2cccc(/C=C/C(=O)c3ccc(OCC#N)cc3)c2)cc1 209556375 QEZFZUZRAWQWGP-YHKLRMRPSA-N 448.478 5.284 30 20 IKED N#CCCn1cc(CNC[C@@H](c2cccc(Cl)c2)N2CCCC2)c(-c2ccccc2)n1 237832485 DUFQRICWZHBRMV-DEOSSOPVSA-N 433.987 5.044 30 20 IKED C=CCOc1c(Br)cc(CN[C@H](C)c2cccc(C(F)(F)F)c2)cc1OC 302222634 OUQQNFXCDIAGPY-CYBMUJFWSA-N 444.291 5.892 30 20 IKED Cc1ccccc1-n1ncc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c1C(F)(F)F 303347932 ZZUGRSJGJWZSDU-CQSZACIVSA-N 444.482 5.704 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)c1 303465492 MJOWOEFRNPOVCL-UHFFFAOYSA-N 435.911 5.373 30 20 IKED N#CCCCOc1cccc(NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)c1 409838678 WPJPVUNUNUMQRS-UHFFFAOYSA-N 433.455 5.569 30 20 IKED COc1ccc(-c2nc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)sc2C)cc1 428321750 QPQCKVQNWMNNIK-UHFFFAOYSA-N 443.532 5.157 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])s1 430596038 NNXWLZOWSBCNEF-GOSISDBHSA-N 435.505 5.418 30 20 IKED Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)sc2ccc(C#N)cc12 431351030 MDMLUFTUTBVUSH-UHFFFAOYSA-N 437.524 5.979 30 20 IKED Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N[C@H](CCCC#N)c1ccccc1 432907484 VXAXTOKMAIRJSQ-XMMPIXPASA-N 432.568 5.424 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)c1 439359470 ZGQXZIWLWFGLAZ-UHFFFAOYSA-N 444.535 5.062 30 20 IKED Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1ccccc1Oc1ccccc1C#N 439371601 AIJWJNNQBAVJKL-UHFFFAOYSA-N 425.488 5.051 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 441098981 VLCAODHYZJHVDH-LIRRHRJNSA-N 439.972 5.980 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(C)c2ncccc12)c1ccc(C(F)(F)F)cc1 442081283 SCKJZIXCRGJKQH-LJQANCHMSA-N 441.453 5.324 30 20 IKED Cc1cccc(C)c1NC(=O)Cc1noc(-c2ccc(Oc3cccc(F)c3C#N)cc2)n1 445318424 OLNSCUWCXATPFX-UHFFFAOYSA-N 442.450 5.338 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2cc(C)c(Br)cc2C)c1C#N 445563696 CLZAGXBRWMJRLP-UHFFFAOYSA-N 441.354 5.098 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCC(=O)c2ccc(F)c(F)c2)cc1 446006780 GLPQNZOAFNGRGR-UHFFFAOYSA-N 436.433 5.167 30 20 IKED Cc1cc(C[C@@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)n(-c2ccccc2)n1 448354354 KBTMUDWAPTYIPO-IEBWSBKVSA-N 433.581 5.328 30 20 IKED CC(C)(C)n1cc(CNc2cnn(-c3ncccc3C#N)c2)c(-c2ccccc2Cl)n1 461417322 JUQKJIXBAICCJB-UHFFFAOYSA-N 431.931 5.023 30 20 IKED Cc1ccc(NC(=O)NC[C@H]2CCCN(c3c(C#N)cnc4ccc(Cl)cc34)C2)cc1 462798517 LVYAFFDJMHFWOC-QGZVFWFLSA-N 433.943 5.106 30 20 IKED Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)[C@H](C)c1cccc(C#N)c1 463963131 GVBFNFOOTLVWRU-GOSISDBHSA-N 440.522 6.346 30 20 IKED CC(C)(NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc(C(F)(F)F)cs1 465312763 DYCMALZRXXNXQK-UHFFFAOYSA-N 445.466 5.685 30 20 IKED CO[C@@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(Cl)c1 466348891 BOCJQSFXWSVOPB-DEOSSOPVSA-N 449.938 5.494 30 20 IKED CN(C(=O)Nc1ncccc1OCCCC#N)[C@@H](c1ccncc1)c1ccc(Cl)cc1 466604349 NIUXOBPTTNRVRY-OAQYLSRUSA-N 435.915 5.066 30 20 IKED CO[C@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccc(F)cc1 467708872 MIOFIZDJHQPUBH-XMMPIXPASA-N 433.483 5.094 30 20 IKED C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 467894795 LQXPVRSZJRKYMS-KRWDZBQOSA-N 447.485 5.761 30 20 IKED C[C@H](NC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1)c1ccc(C#N)cc1 467902394 YNQLIGGJKRLQTI-KRWDZBQOSA-N 438.453 5.445 30 20 IKED C[C@@H](O)C[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1 468865164 FYFZEPZEMXXCFU-XXBNENTESA-N 430.573 5.135 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](OCc2ccccc2F)C1 471283175 QKKPNIIDXVLTMD-HKUYNNGSSA-N 427.545 5.291 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 472323861 HDFATJDJORPELH-YFZFPPMRSA-N 446.979 5.298 30 20 IKED CN(C(=O)C1(c2ccc(C#N)cc2)CC1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 473596145 AGCJMHRLUDXTBT-UHFFFAOYSA-N 437.421 5.459 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(I)ccc1Cl 476138484 HQTMEDHUBMFNDP-UHFFFAOYSA-N 439.724 6.049 30 20 IKED COc1ccc([C@H](NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c2ccc(F)cc2)cc1 481056411 MIWQLWGEXRPLFH-AREMUKBSSA-N 445.538 5.663 30 20 IKED Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 483640784 HUNZRIQBMUNSCK-UHFFFAOYSA-N 427.504 5.297 30 20 IKED COc1ccc2cc(CN(C)C(=O)CNc3ccccc3S[C@@H](C)CC#N)ccc2c1 487357899 PGKNVQWMFDHXHD-SFHVURJKSA-N 433.577 5.313 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC2(CC1)OCCc1ccsc12 491790027 NXKBVZSRRDYCEG-UHFFFAOYSA-N 437.483 5.036 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 502619077 LPUKHYPFPILGKH-XMMPIXPASA-N 443.503 5.861 30 20 IKED CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)c12 505322902 MROWDMPNOIKOMG-OAHLLOKOSA-N 442.441 5.593 30 20 IKED O=C(NCc1ccc(OCC(F)(F)F)cc1)Nc1ccc(F)cc1OCC(F)(F)F 506860789 VWKOZEUUGAFXJD-UHFFFAOYSA-N 440.315 5.030 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1 509531821 GTMWXXBEEDATPR-UHFFFAOYSA-N 449.558 5.721 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc4c(c3)nc(O)n4C3CCCC3)s2)cc1 511351646 CBUFOVMZCAPCBG-UHFFFAOYSA-N 443.532 5.028 30 20 IKED CC(C)n1c([C@@H]2CCCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)C2)nc2ccccc21 512693593 OBWITOGJBDOXRV-LJQANCHMSA-N 430.527 5.066 30 20 IKED CC(=O)N(c1nc(CN(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cs1)C1CC1 514110040 YVKUCUXYVCFFJD-UHFFFAOYSA-N 434.540 5.184 30 20 IKED C[C@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 515775117 ADSGVMKFKHJUOX-KRWDZBQOSA-N 444.510 5.762 30 20 IKED C=CCc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc(OC)c1OC 516713795 JUVNEPFHUHIDSR-IBGZPJMESA-N 434.517 5.054 30 20 IKED CC1CCN(C[C@H]2CCCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)C2)CC1 519196739 QXAUVCIHEDNQEF-JOCHJYFZSA-N 432.568 5.326 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)Cc1nc(-c2cccc(Br)c2)no1 519908254 OYFVBZRTXGZZRS-UHFFFAOYSA-N 425.330 5.029 30 20 IKED CCNc1nc(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nc2ccccc12 520814636 HDLOGYLHIPSAHX-OAHLLOKOSA-N 437.594 5.187 30 20 IKED Cc1sc(-c2ccco2)nc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 520836817 AAKZWOAUZXDYLA-UHFFFAOYSA-N 437.468 5.988 30 20 IKED C=CCNC(=O)Nc1ccc(N[C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 522276846 RSUPDPMMCZADTR-ZDUSSCGKSA-N 431.418 5.236 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1 523488657 QBVBNDKBOIBDQZ-UHFFFAOYSA-N 431.454 5.314 30 20 IKED Cc1nc(-c2cccc(NC(=O)NC3CCC(Oc4ccccc4C#N)CC3)c2)oc1C 524151538 LIMWSJAZAAPVFJ-UHFFFAOYSA-N 430.508 5.342 30 20 IKED C=C(C)COc1cccc(NC(=O)N(CCC)Cc2nnc(-c3ccccc3Cl)o2)c1 524305392 JPXSPVLSOXAFEQ-UHFFFAOYSA-N 440.931 5.789 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1 524305541 TVDAPLJATGCIMT-JOCHJYFZSA-N 439.943 5.275 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)s2)o1 524389720 YEZJDXSLEGNCLN-UHFFFAOYSA-N 443.528 6.031 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H](c2ccccc2)O[C@H](C)C1 524437976 ILTUYJRZPJTSDN-FQRUVTKNSA-N 441.531 5.440 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1cccs1)Cc1cccs1 532746319 QZJHQRWFADWMLJ-QGZVFWFLSA-N 441.647 5.845 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1cccc2ccncc12)c1ccc(C(F)(F)F)cc1 533541099 BOFAFGIRTPTBDZ-LJQANCHMSA-N 427.426 5.016 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1-c1ccccn1 535871119 ONCQVABWSUROPI-HXUWFJFHSA-N 436.496 5.242 30 20 IKED CC(C)Cn1ncc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1C(F)F 536464629 ZGMUIAYIJCWLIY-UHFFFAOYSA-N 440.519 5.893 30 20 IKED Cc1nc(CCNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c(C)o1 539007879 DUMBHZROOTWCBF-UHFFFAOYSA-N 444.413 5.338 30 20 IKED CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)Nc1ccc(C(C)(C)C#N)cc1 539183956 QZSMSVVPDLKMEW-KUHUBIRLSA-N 430.346 5.148 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)nc2ccccc21 539866436 IUSGEJMNLFPNTQ-KRWDZBQOSA-N 447.292 5.013 30 20 IKED Cc1ccccc1CNc1ccccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 542084317 HSCZKMLIJJOPJG-UHFFFAOYSA-N 440.547 5.273 30 20 IKED COCCOc1cc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1OC 542923281 CFRWEKQJPGPNHL-SFHVURJKSA-N 445.519 5.142 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3Cl)CC2)c(F)c1 552342628 OLBLGRXFEPMVSE-QZTJIDSGSA-N 433.310 5.178 30 20 IKED C=C(C)Cn1c(Cc2cccc3ccccc23)nnc1N1CCC(n2cc(Cl)cn2)CC1 555244368 IOCXEORRZDBYFE-UHFFFAOYSA-N 446.986 5.290 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 555249251 IMMYKCXOIKREEZ-WJOKGBTCSA-N 430.577 5.048 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)o3)CC2)cc1 555865006 MJYZZKZSUWVIJL-UHFFFAOYSA-N 440.421 5.521 30 20 IKED CCOC(=O)c1c(CN[C@H](C)c2ccc(C#N)cc2)nc2ccccc2c1-c1ccccc1 560865106 BFCMJCXDLOVSRT-LJQANCHMSA-N 435.527 5.801 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 561037539 DWNYWQLPJHCUPT-IBGZPJMESA-N 443.469 5.092 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@@H](Oc4ccccc4Cl)C3)cc2)ccn1 568642239 ZLNVJGAGGVRYPG-OAQYLSRUSA-N 448.910 5.474 30 20 IKED Cc1csc(-c2cccc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c2)n1 568645695 FNGMOOGLOVWXLH-UHFFFAOYSA-N 447.507 6.395 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C(F)(F)F)cc1 569974535 XHSQVSOKLMSAIP-HXUWFJFHSA-N 442.397 5.179 30 20 IKED O=C(NCCOCC(F)(F)C(F)F)c1sc2cc(C(F)(F)F)ccc2c1Cl 581109737 YYBCPTGXPLKRBO-UHFFFAOYSA-N 437.764 5.220 30 20 IKED N#C[C@@H](C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1nc2cc(F)ccc2s1 592973852 KFYRFBHJHLDIHH-HNNXBMFYSA-N 447.413 5.071 30 20 IKED N#Cc1ccccc1CSc1nccn1-c1ccc(C(=O)NCc2cccs2)cc1 603725900 JVAKPDRFDKHBKE-UHFFFAOYSA-N 430.558 5.028 30 20 IKED N#Cc1c(NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)sc2c1CCCCCC2 603996160 CTPAUJRBLIZGPZ-UHFFFAOYSA-N 449.620 5.089 30 20 IKED C[C@@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604153016 BARSCHIJBZVKRJ-JTSKRJEESA-N 431.923 5.154 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc4ccc(F)cc4s3)s2)cc1 604468175 ZCNBVPKBLNVKFW-UHFFFAOYSA-N 426.523 5.308 30 20 IKED COc1ccc(Cl)cc1NCC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 608903445 JLPXHTGQBMAKTH-UHFFFAOYSA-N 435.911 5.044 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1ccc(OC(F)(F)F)cc1 609060860 OTALBMLDHYPBLE-UHFFFAOYSA-N 440.421 5.526 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCCn3cnc4ccccc43)cc2Cl)c1 609073091 XQXHKARUKUKHRA-UHFFFAOYSA-N 444.922 5.559 30 20 IKED Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(C)n1Cc1ccccn1 609073640 PEOXXXPHWHLRNS-UHFFFAOYSA-N 436.515 5.251 30 20 IKED N#Cc1cccc(OCCCCC(=O)N(Cc2cc(Br)ccc2F)C2CC2)c1 609500140 PPHOYXQEFKADLL-UHFFFAOYSA-N 445.332 5.200 30 20 IKED COCCOc1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1Cl 609642671 BOUHWRFTNAAOEN-UHFFFAOYSA-N 436.895 5.068 30 20 IKED C[C@H](CCC1CCCCC1)NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 609690569 RCVIEOWCONNCHH-HXUWFJFHSA-N 447.579 5.135 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 609778004 KVMJUZQUYHSWLS-FQEVSTJZSA-N 441.984 5.428 30 20 IKED C[C@@H](CCC(C)(C)C)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609948129 BTZCRRZWKYGRSI-JXFKEZNVSA-N 425.960 5.265 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 609970834 LXCRMIAGZOBGIR-AWEZNQCLSA-N 430.455 5.538 30 20 IKED CC(C)(C(N)=O)c1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 610050195 ACKKMIFTUAKZTN-UHFFFAOYSA-N 433.895 5.019 30 20 IKED C[C@H](NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1cccc(C#N)c1 610361855 INSCAGUBRQMTTJ-AWEZNQCLSA-N 438.314 5.608 30 20 IKED CN1CC[C@@H](CNC(=O)c2c(Cl)cc(C#N)cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 611197921 KTNGWIJUBYLKJS-ORAYPTAESA-N 440.733 5.080 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)nnc1-c1ccc(F)cc1 645084462 ASIJHZHMCCHXLM-CQSZACIVSA-N 439.491 5.621 30 20 IKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(OCc2ccc(F)cc2)CC1 678188717 HQUJGBSNVYFSLW-UHFFFAOYSA-N 449.366 5.685 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1ccc2ccccc2n1 679536866 XITLOCIDTRCIQL-HXUWFJFHSA-N 448.457 5.945 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)NC(=S)N[C@@H]1c1ccc(Cl)c(C(F)(F)F)c1 727352099 VSXMSJMKZBPHPU-QGZVFWFLSA-N 428.838 5.017 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C)OC(=O)c1ccc(COc2ccc(C#N)cc2)o1 728108095 CMCKWAPUQFPXHY-KRWDZBQOSA-N 446.503 5.039 30 20 IKED Cc1cc(/C=C/C(=O)c2ccc(N3CCC(O)CC3)cc2)cc(C)c1OCc1ccccn1 730085362 PNEVZXYSXMXSRY-IZZDOVSWSA-N 442.559 5.135 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H](C)Sc1ccccc1Cl 731074214 LOAKJTVWYJLJTA-GJZGRUSLSA-N 448.997 5.397 30 20 IKED COc1ccc(-c2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c(F)c2)c(F)c1 731332183 FVGQUHMOOYUDGE-HNNXBMFYSA-N 438.499 6.287 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2[nH]c3ccc(Br)cc3c2Cl)c1 733787278 NKMKDOPIBSYVJI-CQSZACIVSA-N 446.732 5.195 30 20 IKED O=C(/C=C/c1cccc(OCc2ccccc2F)c1)c1ccc(N2CCC(O)CC2)cc1 734235933 ZHFQRRBQVNYAQF-MDWZMJQESA-N 431.507 5.262 30 20 IKED Cc1sc2nc(SCc3cc(Cl)ccc3OCC#N)n(C(C)C)c(=O)c2c1C 735230632 FILDVMDYBKTVNN-UHFFFAOYSA-N 433.986 5.504 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739590723 OAYKXLBMJBWLDQ-UHFFFAOYSA-N 446.963 5.423 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(O)c1 740923275 FCENQFPGSGYQCV-JOCHJYFZSA-N 443.503 5.647 30 20 IKED CCOC(=O)c1ccc(NC(=S)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 743035582 HTNYXKMSQMJPLB-UHFFFAOYSA-N 435.480 5.475 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)/C=C\c3ccc(-c4ccc(F)cc4)s3)o2)c1 744545114 GRDJIFQUOYMVCZ-LUAWRHEFSA-N 431.448 5.232 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1nc2ccccc2[nH]1 747111778 FWYMPRQDHLCJDX-AWEZNQCLSA-N 427.316 5.412 30 20 IKED COc1ccc(/C=C2/N=C(SCCCC(C)(C)C#N)N(c3cccc(OC)c3)C2=O)cc1 747806764 KXEGQLITMBPPGG-PXLXIMEGSA-N 449.576 5.511 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)c1 751298608 BRRPLWRPEJLUGP-UHFFFAOYSA-N 445.482 5.099 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)cc1 758036086 YKQLDQJILBSUNI-SFHVURJKSA-N 436.265 5.265 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CN(C(=O)OC(C)(C)C)c3ccccc3)n2)cc1 761092833 IOYODXVAZOLOIM-FQEVSTJZSA-N 447.560 5.737 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)N[C@@H](c3ccccc3)c3ccc(Cl)cc3)CCO2)c1 761642657 VSOBCNWLOIARBP-ZEQRLZLVSA-N 431.923 5.084 30 20 IKED C[C@@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(Br)ncc1F 762733875 JOMLSVHGCVRZIM-IMSYWVGJSA-N 437.197 5.543 30 20 IKED C=CCn1c(-c2ccco2)nn(CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1=S 768490964 VANQZFNZZCWEJD-MRXNPFEDSA-N 441.626 5.032 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc(-c2ccccc2C)nc1C 773981115 XBIXTQMUNOZBDQ-FQEVSTJZSA-N 431.561 5.513 30 20 IKED CC[C@@H](C)Oc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccn1 777302812 QZXVVKIQSSOTHN-YLJYHZDGSA-N 429.476 5.012 30 20 IKED Sc1nnc(-c2cccc(Cl)c2)n1N=Cc1ccc(Br)c2cccnc12 777877211 KMYYTHFMLHHIBL-UHFFFAOYSA-N 444.745 5.080 30 20 IKED FC(F)Oc1ccc(NC(=S)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)cc1 778530875 AYULXOLIDNYROQ-ZDUSSCGKSA-N 442.356 5.479 30 20 IKED CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 778619870 ZRUDICATXUQFHJ-SUMWQHHRSA-N 447.507 5.054 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(O)(c3c(F)cccc3F)CC2)cc1 779396179 BPGSMDNBQQPHMJ-OAQYLSRUSA-N 447.485 5.136 30 20 IKED N#CCCn1cc(C(=O)COC(=O)c2cccc(Br)c2Cl)c2ccccc21 780129471 DRCMOWSREQKFBY-UHFFFAOYSA-N 445.700 5.011 30 20 IKED N#C[C@@H](C(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1)c1nc(-c2ccccc2)cs1 780311385 AZRDTOROBQAMNF-ROUUACIJSA-N 444.585 5.513 30 20 IKED COc1ccc(SCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 781458624 LTDAJSHCBQDFDR-HXUWFJFHSA-N 433.558 5.439 30 20 IKED C[C@H](OC(=O)C1(c2ccc(C#N)cc2)CC1)c1ccc(N(C)Cc2ccccn2)c(F)c1 781489672 NRGOBGOXASSQRY-SFHVURJKSA-N 429.495 5.065 30 20 IKED CC(C)(C#N)CCCOC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12 785756925 PDXHOEJRYIUREA-UHFFFAOYSA-N 438.325 5.546 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(Cl)cc1Cl 787052601 NIHJNXFYVAMJIK-OZTPJHRESA-N 435.273 5.248 30 20 IKED C#CC[C@H](NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1 787151572 HRJFBIXIXHFKQE-IBGZPJMESA-N 428.319 5.247 30 20 IKED C#CCC1(C(=O)OCc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)CCCCC1 788219095 VLMUUQZSRJYGAD-UHFFFAOYSA-N 430.957 5.498 30 20 IKED C[C@H](N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc(OCC#N)cc1 788984745 MYERJTYTGPOZPC-GAJHUEQPSA-N 436.353 5.381 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cnn(-c3ccc(C)cc3)c2C(C)C)c1 792455853 ANFNMKZZVJDNFO-NRFANRHFSA-N 431.540 5.307 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNCc2ccc(OC(F)(F)F)c(Br)c2)c1 792984959 IKFUMPLKLQTOAL-HNNXBMFYSA-N 443.263 5.318 30 20 IKED CC1(C)C[C@H](Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c2cc(Br)ccc21 794814677 SDFBRJSBYOUNID-NRFANRHFSA-N 440.385 5.116 30 20 IKED N#CC1(c2ccccn2)CCN(Cn2nc(-c3ccco3)n(C3CCCCC3)c2=S)CC1 799942514 COSSVYQFJMCHAM-UHFFFAOYSA-N 448.596 5.089 30 20 IKED COc1ccc(C(=O)N2CCCCCC2)cc1NCc1ccc(C#N)cc1C(F)(F)F 811470940 VYBAEEVMDWBWST-UHFFFAOYSA-N 431.458 5.214 30 20 IKED N#Cc1cc(Oc2ccc(NC(=S)Nc3ccc(Br)cc3)cc2)ccn1 811708643 DSVUXEGWBVYBJR-UHFFFAOYSA-N 425.311 5.317 30 20 IKED N#Cc1cc(NC(=O)c2sc3ccccc3c2Br)c(Cl)c([N+](=O)[O-])c1 813078437 LCSNYFQJKPLOKC-UHFFFAOYSA-N 436.674 5.349 30 20 IKED Cc1csc(SCc2ccc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)cc2)n1 813214010 SCBTYDCDVKHIOT-INIZCTEOSA-N 433.480 5.648 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)N(Cc2ccco2)c2ccccc2C#N)cc1 914515162 LWYYNEABZOADKU-UHFFFAOYSA-N 431.492 5.023 30 20 IKED Sc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(-c2ccc(Cl)c(Cl)c2)s1 914866959 QEZXVMQIDOHVMZ-AWEZNQCLSA-N 425.366 5.336 30 20 IKED N#C[C@@H](C(=O)CCCc1nc(O)c2ccccc2n1)c1nc(-c2ccc(Cl)cc2)cs1 915101791 LAVRTMBKZFNOHR-KRWDZBQOSA-N 448.935 5.311 30 20 IKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1nc(-c2ccccc2)cs1 915102524 WEZHPNWGWZRNKA-AZUAARDMSA-N 449.963 5.192 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C\c2cc(Br)ccc2F)cc1 916948545 WLNGKRUJYMFUPC-GAAZLAHUSA-N 443.316 5.462 30 20 IKED C[C@H](Sc1ccc(Br)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 917026281 DGDFTHZWYOXOIG-SUMWQHHRSA-N 443.391 5.930 30 20 IKED COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)c(F)c1 917034187 OJSWSAKLPFWBKO-VZUCSPMQSA-N 437.423 5.226 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NNC(=S)Nc2c(C)cccc2C)cs1 917532163 QAQGVEQXJCCKKD-UHFFFAOYSA-N 437.594 5.073 30 20 IKED Cc1ccc(-c2nc(C=Nn3cnnc3SCc3ccc(Cl)cc3)cs2)cc1 918711441 MVFBECHFJQJRPW-UHFFFAOYSA-N 425.970 5.538 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3c(-c4ccc(F)cc4)noc3C)n2)cc1 920144016 VZWABDIUVQHTJX-GOSISDBHSA-N 433.464 5.411 30 20 IKED Cc1cccc(C(=O)OC[C@H](C#N)Cc2ccc(F)cc2)c1NC(=O)c1ccccc1F 920878182 YXOAPMVLGRYIHU-SFHVURJKSA-N 434.442 5.065 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@H]4C4CC4)cc3)CCC2)c1Cl 1786056672 VYEVQZFVXOEIAZ-LEWJYISDSA-N 433.939 5.005 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCc3c(C)noc3C)cc2)CCC1 1786911049 AGBSLAOWQYWPMA-JOCHJYFZSA-N 435.568 5.127 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CNc3ccc(F)cc3)cc2)CCC1 1787983965 XNMBPBMOEWLHFV-UHFFFAOYSA-N 437.559 5.364 30 20 IKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3cccc(F)c3)CCC2)cc1 1788649928 KBQYBEXKPUDATN-VAWYXSNFSA-N 448.519 5.074 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc4ncsc4[nH]3)cc2)CCC1 1789664776 KJHJRUKGMBGDFR-SFHVURJKSA-N 434.565 5.141 30 20 IKED C[C@@H](C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1)c1ccccc1 1790708483 WHVZJAKQYQBIRI-HXUWFJFHSA-N 437.543 5.304 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cccc4ncsc34)CCC2)cc1 1791298722 SSCHSPZMGGULQA-UHFFFAOYSA-N 441.503 5.255 30 20 IKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@@H]4c4ccccc4)cc3)CCC2)cc1 1791527125 NSCNYNDZXHCBNY-CLJLJLNGSA-N 449.554 5.039 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4)CCC3)cc2)c1 1792125376 XPDLJQWFRYZUKY-IBGZPJMESA-N 448.526 5.247 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1[nH]c3c(Cl)cccc3c1C)C2 1798334064 VZKYXOUGOKEJPC-RDGPPVDQSA-N 439.987 5.150 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCC2CCCC2)[C@H]1c1cccnc1 1802498915 YLRPLMFBUUCXFU-UPVQGACJSA-N 425.617 5.050 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1811901288 FPVSGWDBTGVVKI-IRLDBZIGSA-N 439.987 5.047 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(F)c(F)c2C)n[nH]1 1823199248 LRALSFXDWBGRPU-OXJNMPFZSA-N 442.510 5.071 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823215397 QRBLYCFVMQSNEE-AVRDEDQJSA-N 447.583 5.335 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ccncc23)CC1 1823752990 AKBSYJULEMWYMM-VWLOTQADSA-N 447.623 5.461 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(C)C)on2)CC1 1826152622 YCBUPRWANHWCJO-NRFANRHFSA-N 429.605 5.024 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3CCCCC3)CC2)c1 1826284377 MSYDDAWUUCXYTP-CPJSRVTESA-N 435.612 5.127 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2SC)CC1 1829480964 IICXKWCEBARRRY-NRFANRHFSA-N 443.657 5.029 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(F)cc2F)CC1 1830511406 QSRKYMWLOYGZSW-WZONZLPQSA-N 448.529 5.106 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3sccc3c2O)CC1 1831376492 OORODECIDDPFSR-UWJYYQICSA-N 440.609 5.052 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(C)cc2)cc1 10173227 JHZZIVVXPFSOBR-UHFFFAOYSA-O 425.524 5.564 30 20 IKED C=CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC)c1ccccc1 11149839 ZNVPUYFJKFISIG-UHFFFAOYSA-N 447.391 5.583 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1sc2ccccc2c1Cl 22926457 KTWDXYICESJPBB-AWEZNQCLSA-N 442.924 5.055 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1 25104999 FZIIHVMQPAMLFE-AREMUKBSSA-N 425.557 5.327 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(SC(F)F)cc2)nnc1-c1ccccc1 39221747 MNGOBBIHOGDLRL-UHFFFAOYSA-N 432.521 5.177 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 61188664 LZCPCSCCAVQUSS-UHFFFAOYSA-N 442.397 5.086 30 20 IKED COC(=O)CN(C/C(O)=N/c1c(Cl)cccc1C(F)(F)F)Cc1ccc(Cl)cc1 64639064 WKVSCIFIIQKBDA-UHFFFAOYSA-N 449.256 5.275 30 20 IKED CCOC(=O)c1sc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)c(C#N)c1C 105147072 AJKFJLZPAWWMNN-UHFFFAOYSA-N 431.926 5.134 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(SC)c(OC)c2)cc(Br)c1OC 207746326 XFFVTAKAJMMELO-VURMDHGXSA-N 437.355 5.483 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 237023776 PQUVQQZMCRVXGJ-IBGZPJMESA-N 431.483 5.800 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccccc2OC[C@H]2CCCCO2)c1 303538876 HLWUVQJGUJHHNV-HSZRJFAPSA-N 442.515 5.337 30 20 IKED COc1ccc(-c2ccc(CNC(=O)c3cnn(CCC#N)c3-c3ccccc3)cc2)cc1 428645255 YEVXOLWKGWMCAN-UHFFFAOYSA-N 436.515 5.069 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)s1 430625405 KOGFBYUXFILONQ-MRXNPFEDSA-N 445.466 6.137 30 20 IKED Cc1c(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cccc1-c1ncco1 432989755 UKKCLNLJMVXZBH-UHFFFAOYSA-N 428.423 6.097 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 438069991 DKUCERLVYPQMSN-SJORKVTESA-N 428.989 5.525 30 20 IKED C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C[C@@H](c2ccc(F)cc2)O1 438659172 DXELBYIFEOMITH-FYSMJZIKSA-N 449.457 5.623 30 20 IKED C=CCC[C@H](NC(=O)N1CCN([C@@H](C)c2cccnc2)CC1)c1ccc(C(F)(F)F)cc1 441532324 KSDAJVVMONVTSC-AVRDEDQJSA-N 446.517 5.196 30 20 IKED CCN([C@@H](c1ccc(Cl)cc1)c1cccnc1)S(=O)(=O)c1cccc(Cl)c1C#N 443357556 ZUDRPRCLVDXVCF-NRFANRHFSA-N 446.359 5.060 30 20 IKED C=CC[C@@H]1N(C(=O)[C@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)CCCC1(C)C 443868236 MZZFAHADZSCUCV-HOTGVXAUSA-N 433.643 5.229 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(CCCO)[C@H]3CCc4ccccc43)cc2)c1 443910848 RKJYGKVTXPRDAA-VWLOTQADSA-N 427.504 5.254 30 20 IKED Cc1cc(C)c(-c2csc(NC(=O)Cc3noc(-c4ccc(C#N)cc4C)n3)n2)cc1C 445417431 JQZJYRUQPMGIBV-UHFFFAOYSA-N 443.532 5.147 30 20 IKED FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1noc(C2CCC(F)(F)CC2)n1 445814463 XVTUMUDNYJOPES-UHFFFAOYSA-N 431.283 5.384 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CCC(=O)c2ccc(F)c(F)c2)cc1 446007496 PPAZXKHRNHCDNL-UHFFFAOYSA-N 434.442 5.211 30 20 IKED COCCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@@H]1CCCSC1 448018976 SLIBNBSQMXSRDS-CTNGQTDRSA-N 444.000 5.371 30 20 IKED Cc1noc(-c2ccccc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)n1 460153515 GVSUNTYCXJHJMH-UHFFFAOYSA-N 444.878 5.401 30 20 IKED N#CCCN(C(=O)C[C@@H](Cc1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2 460885070 RPHLTQUUSXNPOZ-HSZRJFAPSA-N 426.516 5.121 30 20 IKED C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC2(CCOCC2)[C@@H]1C 460963869 PNJBRKXXGOYLSK-NRFANRHFSA-N 438.616 5.260 30 20 IKED CC[C@H](C)N(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccc(C(N)=O)cc1 463599904 INLGAGJAFRTZTQ-SFHVURJKSA-N 427.504 5.089 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc2c(C)nn(C)c2c1 463849632 KEESEXOLSGCYCU-UHFFFAOYSA-N 431.309 5.003 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2n[nH]cc2-c2ccc3c(c2)OCO3)cc1 464790437 CXYITNLYFNFFQV-UHFFFAOYSA-N 438.443 5.030 30 20 IKED COc1cc(OC)c(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1Cl 465397443 FEAIQCILPVVSQV-UHFFFAOYSA-N 438.915 5.004 30 20 IKED COCc1ccc([C@H]2CCCN2Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)o1 467117016 JTKLHEOFHIUHOW-HSZRJFAPSA-N 432.520 5.222 30 20 IKED N#CCCCOc1cccc(CN(Cc2cccc(Br)c2)C2CCOCC2)c1 467356603 SXTRDMOJHHSQSO-UHFFFAOYSA-N 443.385 5.313 30 20 IKED CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)n1 467711711 VJHBCEGAFLHXHQ-KRWDZBQOSA-N 449.511 5.131 30 20 IKED N#CCSc1cccc(C(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)c1 470710174 PMCOVJJSOAWABT-UHFFFAOYSA-N 431.233 5.216 30 20 IKED C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 471273851 SCFYQMLIMBRNLM-DYVFJYSZSA-N 437.849 5.595 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(Sc2ccc(Cl)cc2)c1 471477813 XZLJMHHJGBSJFQ-UHFFFAOYSA-N 438.984 5.790 30 20 IKED N#C[C@H](C(=O)c1ccc2nc(C(F)(F)F)cn2c1)c1nc(-c2ccc(Cl)cc2)cs1 473488955 ONOHMRBYKFLMSC-CQSZACIVSA-N 446.841 5.620 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 478885618 NOMAOCHCGREUJS-RYUDHWBXSA-N 437.311 5.650 30 20 IKED CCCN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@@H]1CCCc2cccnc21 479715593 AIPPTHUHJYPWDR-OAQYLSRUSA-N 431.565 5.322 30 20 IKED C[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nc2ccccc2n1C(F)F 482028298 YJKSNUHHCKNBCS-OAHLLOKOSA-N 432.430 5.586 30 20 IKED C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 482512361 QUFQPJFAWOFWQL-AUSIDOKSSA-N 430.552 5.275 30 20 IKED O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccc(F)cc1C(F)(F)F 488257960 CUYWIAGWOYWTTN-UHFFFAOYSA-N 425.260 5.093 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)N1CCC(C)(C#N)CC1 506924326 YSOMDVSKHPXVJP-UHFFFAOYSA-N 444.457 5.424 30 20 IKED CC1(C#N)CCN(C(=O)N[C@H](c2cccc(F)c2)c2cccc(Br)c2)CC1 508274492 CMUQOFXAAVSBDL-IBGZPJMESA-N 430.321 5.013 30 20 IKED N#C[C@@H](C(=O)c1ncn(-c2ccccc2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 509845619 DHXANTMBQKEXOV-HNNXBMFYSA-N 440.315 5.188 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 510219946 BEYJFKRGEAISGO-UHFFFAOYSA-N 433.533 5.232 30 20 IKED O=C(CN[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)Nc1ccccc1C(F)(F)F 510443518 LLNXLDSGTVRLBW-OAHLLOKOSA-N 442.306 5.139 30 20 IKED COc1cc(F)c([C@H](C)NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1OC 510725751 NQGXQYGTGORQDA-INIZCTEOSA-N 434.467 5.192 30 20 IKED N#Cc1c(F)cccc1-n1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)n1 511699551 GGKLKEZEKXVFKL-UHFFFAOYSA-N 449.445 5.457 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1 513980473 UKVZYPUWRWJXQO-UHFFFAOYSA-N 440.478 5.950 30 20 IKED N#Cc1c(NC(=O)CCc2nc(-c3cccs3)no2)sc2c1-c1ccccc1CC2 515626628 UJLWBCRGZFJKEP-UHFFFAOYSA-N 432.530 5.068 30 20 IKED CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)cc1 518158500 BKCRWCKPXUVCES-YWZLYKJASA-N 429.973 5.044 30 20 IKED N#C[C@@H](NC(=O)COc1ccccc1OCc1ccccc1)c1cccc(C(F)(F)F)c1 518849276 XSEKZDCOBPSMMO-HXUWFJFHSA-N 440.421 5.044 30 20 IKED CCCOc1c(Cl)cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1OCC 519424065 PTBZBKTYFPALOF-HNNXBMFYSA-N 432.973 6.032 30 20 IKED COc1ccc(OC)c([C@@H]2CCCN2C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 519451405 CXBFSJUUZSSUQY-JXFKEZNVSA-N 425.554 5.325 30 20 IKED COCCc1ccc(Oc2ccc(NC(=O)CSCc3ccc(C#N)cc3)cc2)cc1 521716922 PHEWNONSFCZLNE-UHFFFAOYSA-N 432.545 5.411 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(Br)cc1 521796415 CUWIPRJXTFKNMT-CQSZACIVSA-N 435.412 5.715 30 20 IKED N#CCC[C@H](C#N)CN1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 522137926 MPZHUUNTIFETCX-GOSISDBHSA-N 427.379 5.144 30 20 IKED Cc1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1NC(=O)C(C)(C)C 522302980 DEHHJIWMQOZWKF-UHFFFAOYSA-N 441.531 5.683 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(Cn4ccnc4)cc3)cc2Cl)c1 524251080 ABPOMDSAUIJIRN-UHFFFAOYSA-N 442.906 5.288 30 20 IKED CC(C)(C)c1noc2ncc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc12 524431098 ZNZLVOWBHQPIGJ-INIZCTEOSA-N 436.924 5.787 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 525598231 ZOAJZMHHDBGQSM-HXUWFJFHSA-N 433.870 5.010 30 20 IKED C=C[C@@H](CC(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccccc1 535363581 CMUGNCNBWGPJLY-UXHICEINSA-N 430.523 5.544 30 20 IKED CCc1nc2ccccc2n1C1CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 540128336 OFJUTJFWGLBQKO-UHFFFAOYSA-N 431.540 5.127 30 20 IKED N#Cc1ccc(-n2ccc(NCc3coc(-c4ccc(C(F)(F)F)cc4)n3)n2)c(F)c1 541076350 FGHSDCSTNCCQTN-UHFFFAOYSA-N 427.361 5.169 30 20 IKED CC(C)N1CCc2nc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)sc2C1 542199760 BTNGDPAPEOXPHF-UHFFFAOYSA-N 432.549 5.020 30 20 IKED C=C(C)Cn1c(CC)nnc1N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 549690065 IKOOBJCKBTZAON-MRXNPFEDSA-N 448.411 5.032 30 20 IKED CC(C)Oc1ccc([C@@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1Cl 551516397 OQEVGZPZTHQVTO-QGZVFWFLSA-N 425.960 5.883 30 20 IKED COC1(c2noc(-c3cnc(C(F)(F)F)c(C#N)c3)n2)CCC(c2ccccc2)CC1 556334144 VEGNITZRUSGDLR-UHFFFAOYSA-N 428.414 5.222 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@@](C)(C#N)C1CCCCC1 570191966 COLUSANSAJKUHC-NYHFZMIOSA-N 431.989 5.595 30 20 IKED C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@@H](CCCC#N)c1ccccc1 571229280 AJQQPSQTBQCPEL-KXBFYZLASA-N 437.893 6.101 30 20 IKED COc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c(C(F)(F)F)c1 579884383 YYHJKNRZJRUPIL-UHFFFAOYSA-N 446.812 6.284 30 20 IKED Cc1nc(-c2ccccc2)sc1CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 582330702 HFZLRRAAVVULBG-UHFFFAOYSA-N 441.516 5.499 30 20 IKED FC(F)(F)c1nc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)ccc1Br 584417231 UPMPFQRYQVWUOD-UHFFFAOYSA-N 431.096 5.184 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(Cl)cc(F)c1Br 585699135 HTAPAFRNGVRMPI-JTQLQIEISA-N 427.726 5.888 30 20 IKED CC(C)Oc1cc(Br)ccc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 592973172 AGNLODOSTJEZKO-CQSZACIVSA-N 433.302 5.475 30 20 IKED CC[C@H](C)c1ccc(-n2c(=O)c3ccccc3n3c(SCCCCC#N)nnc23)cc1 594669432 QHJYVYLNIGKOJS-KRWDZBQOSA-N 431.565 5.333 30 20 IKED Cc1ccc(-c2cc(-c3nnc(S[C@H](C#N)Cc4ccccc4)o3)c3ccccc3n2)cc1 603597763 XPGDDDBDLQLJLK-NRFANRHFSA-N 448.551 6.487 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)Cc3csc(Cc4cccc(Cl)c4)n3)c2C#N)C1 603615204 CMFKJNGMMCRKOR-CYBMUJFWSA-N 442.009 5.626 30 20 IKED C[C@H](Sc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)N(CCC#N)c1ccc(F)cc1 603938289 UMBMWWAXLOYFRG-LBPRGKRZSA-N 436.434 5.148 30 20 IKED Cc1ccc(-c2cnc(CCC(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)o2)cc1 603991637 FHFIANXEQIFGBG-UHFFFAOYSA-N 439.540 5.920 30 20 IKED CCCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 604562177 FXMUZDKNLZTWKY-UHFFFAOYSA-N 445.519 5.812 30 20 IKED C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 606175022 YKIHEWGNKOCTTR-BSLXNSKLSA-N 449.357 5.910 30 20 IKED CCc1c(C)sc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)c1C#N 609032576 PSKYIPDJLYVVPF-KRWDZBQOSA-N 436.364 5.041 30 20 IKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 609096616 LBRLIMNPAAZMBY-XMMPIXPASA-N 439.519 5.118 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N(Cc3ccccc3)C[C@H]3CCCO3)c2)cc1 609209247 GLTQFYWXZVKGPF-RUZDIDTESA-N 427.504 5.564 30 20 IKED CCSc1ccc(Cl)cc1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 609209675 JZPOTDJUKMOFIY-UHFFFAOYSA-N 442.972 5.206 30 20 IKED COCc1cc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1F 609355683 PUWYHVKPDBHNEJ-OAQYLSRUSA-N 437.902 5.603 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(N2CCCCCC2)nc1 609378226 WKSYSROUMSJFGY-UHFFFAOYSA-N 448.514 5.739 30 20 IKED C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccccc1SCCC#N 609378717 GBRCVKDHOLDKDA-GFCCVEGCSA-N 439.762 5.514 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(Br)cc2ccccc12 609430285 KKFOBGHIJGYDAE-CQSZACIVSA-N 425.351 6.249 30 20 IKED CCCN(Cc1c(F)cccc1Cl)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 609438138 BVAIWSSXXYODPO-OAHLLOKOSA-N 447.963 5.251 30 20 IKED N#C[C@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)c1ccccc1Br 609591320 MGIOGBAXTGYYLA-HNNXBMFYSA-N 434.746 5.026 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2ncc(C(C)C)n2C(C)C)n(Cc2ccccc2)c1C 610034155 VOGZKYCPZCPCRE-UHFFFAOYSA-N 449.624 5.657 30 20 IKED COc1ccc2c(c1)CC[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C2 612302525 NYRQLDLARHMDQB-QHCPKHFHSA-N 441.531 5.019 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC[C@H]1c1ccc(F)cc1 612804432 KOTSIQMWWKKDTF-IOASZLSFSA-N 426.376 5.582 30 20 IKED CO[C@]1(C(F)(F)F)CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 614932263 RWPSFKUMLYSXML-HXUWFJFHSA-N 437.393 5.065 30 20 IKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 619666946 XRCBINCUCDPCPS-UZLBHIALSA-N 433.430 5.088 30 20 IKED N#C[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)c1ccc(Cl)cc1 619863758 ANIKKTRFFFCYGO-SFHVURJKSA-N 431.348 5.856 30 20 IKED O=C(CCOCC(F)(F)C(F)(F)F)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 622594274 PDSYVFFEEQGRPE-ZDUSSCGKSA-N 433.339 5.016 30 20 IKED O=C(N[C@H](Cc1ccccc1)c1ccccc1F)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674634279 MDVNZOIALCFDPD-SOLBZPMBSA-N 448.382 5.492 30 20 IKED O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 681490100 NJAOGNGFCYOPDW-OUAUKWLOSA-N 442.709 5.326 30 20 IKED O=C(c1cc(F)c(C(F)(F)F)c(F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 683195281 GTKJEELHELYXQT-YUMQZZPRSA-N 429.229 5.187 30 20 IKED Cc1cc(C(F)(F)F)ncc1NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 685668034 JGSTVTMBNMAYJV-MYJAWHEDSA-N 437.306 5.440 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(F)ccc2F)[n+]2ccc(C(C)(C)C)cc2)c1 726572711 KUUIHKYFTXCFEX-UHFFFAOYSA-O 449.546 5.854 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)OCc2csc(Cc3ccccc3)n2)c1 726689207 KHZWTYHSDVTVPY-UHFFFAOYSA-N 430.485 5.135 30 20 IKED COc1ccc(N=Cc2cc([N+](=O)[O-])ccc2O)cc1OCc1ccc2ccccc2n1 727972690 DCTNFEWZWZBKPF-UHFFFAOYSA-N 429.432 5.187 30 20 IKED C=CCOc1ccccc1C(=O)Nc1ccc(N2CCC(OC)CC2)c(C(F)(F)F)c1 728009615 KFNUSCQOGRLLCI-UHFFFAOYSA-N 434.458 5.138 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)c3ccccc3SCC#N)cc2C(F)(F)F)C[C@H](C)O1 728037507 JDEZZGJGDGJWQC-GJZGRUSLSA-N 449.498 5.187 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)O[C@H](c3ccncc3)c3ccc(F)cc3)o2)cc1 728413353 HOINFBCBFQCYBU-DEOSSOPVSA-N 428.419 5.211 30 20 IKED N#CCn1c(C(=O)O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc2ccccc21 729768184 CZFOQOYTFSWGTD-SANMLTNESA-N 433.467 5.427 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2nc3cc(Cl)ccc3s2)cc1 730687504 NXGISHSKORVNRI-SFHVURJKSA-N 439.968 5.572 30 20 IKED O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(C(F)(F)F)nc1O 731562358 AJMRQSQWJSEOKG-QBFSEMIESA-N 435.405 5.555 30 20 IKED C=CCn1c(-c2ccc(F)cc2)nn(CN(C)[C@H]2CCCc3nc(C)sc32)c1=S 732189399 QZAYLFXRAFKLEM-SFHVURJKSA-N 429.590 5.138 30 20 IKED C=CC[C@@H](NC(=O)N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C)c1ccncc1 734668991 KJLAFRWAQMPSJW-HNAYVOBHSA-N 426.973 5.845 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(SC(F)F)cc2)cs1 734980804 LJSPGFGFFQSORW-WDZFZDKYSA-N 448.491 6.178 30 20 IKED CN1CCN(c2ccc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)cc2)CC1 734992909 RLOIIEHMUYDNAG-UHFFFAOYSA-N 446.938 5.008 30 20 IKED COC(=O)N(C)Cc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 735273892 SVAXLDTWNUMMEG-UHFFFAOYSA-N 445.544 5.301 30 20 IKED CC1=C(C(=O)Nc2ccccc2)[C@H](c2cc(C#N)cs2)NC(=S)N1c1cccc(F)c1 747959330 HIPHLUVVVVHYOQ-NRFANRHFSA-N 448.548 5.107 30 20 IKED CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cc(C#N)cs2)NC(=O)N1Cc1ccccc1 747962153 VLTFJXDTSYFGBO-QHCPKHFHSA-N 442.544 5.107 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/COc3c(C)cc(Cl)cc3C2=O)cs1 750910389 SGDIYIYKCSYPRR-ZSOIEALJSA-N 442.899 5.587 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)cc1C#N 752299256 LZYYOPHYVBUYJK-INIZCTEOSA-N 429.480 5.071 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1C 752507270 PPSJVDJBCOVBIL-UHFFFAOYSA-N 430.527 5.240 30 20 IKED N#CCC[C@@H](NC(=O)N(Cc1ccccc1)C[C@@]1(O)CCc2ccccc21)c1ccccc1 752684833 OUMDFEVFJSBREP-IAPPQJPRSA-N 439.559 5.077 30 20 IKED CCC(CC)C(=O)N1CCC(=NOCc2coc(-c3ccc(C(F)(F)F)cc3)n2)CC1 755817250 XDGCWOQITQRNLX-UHFFFAOYSA-N 437.462 5.292 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 761667075 RKPSWOJVIXRPSR-HXUWFJFHSA-N 433.511 5.157 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(Cl)nc1C(F)(F)F 766398061 FOUSSGFBQPDYPL-UHFFFAOYSA-N 432.789 5.374 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)c1 767213486 BJBMHVGAELODKF-XUZZJYLKSA-N 448.954 5.199 30 20 IKED N#Cc1ccccc1/C=C/C(=O)OCc1csc(-c2ccc(Br)cc2)n1 775084646 QXEXCGRFZNUKAM-JXMROGBWSA-N 425.307 5.201 30 20 IKED COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 778543939 WYGVOEJXOROJGG-QFIPXVFZSA-N 434.879 5.066 30 20 IKED CC[C@H](NC(=O)[C@H](C#N)C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)c1ccccc1 787039639 SHUWNZSEGLNBJJ-AHROSOOBSA-N 434.845 5.262 30 20 IKED CCN1C/C(=C/c2cnc(-c3ccco3)s2)C(=O)/C(=C\c2cnc(-c3ccco3)s2)C1 789127930 PJKHGOZJMQOHSU-VULZFCBJSA-N 449.557 5.491 30 20 IKED CCOC(=O)C1(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CCC1 789349375 XFQBVLSCIIHUFD-CQSZACIVSA-N 437.348 5.417 30 20 IKED CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)c1ccc(C(C)(C)C#N)cc1 793462567 WVNBJPVDYKTDCS-UHFFFAOYSA-N 433.552 5.105 30 20 IKED Cn1ccnc1C(=O)[C@@H](C#N)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1 796774013 GJBCXNLXURTWLP-LBPRGKRZSA-N 448.693 5.378 30 20 IKED C[C@H](Sc1ccc(Cl)cc1)C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 799839634 FWWQCVHDIAYHES-HNNXBMFYSA-N 426.925 5.115 30 20 IKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@](O)(C(F)(F)F)CC1 804553244 MRXXQFLWJXYJQX-GWQWAINWSA-N 449.313 5.043 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3cc(Br)ncc3Cl)c2)cc1 806793410 RSBHDSYUDRLZLX-UHFFFAOYSA-N 428.673 5.414 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](N[C@H]1CCc3ccc(C#N)cc31)CC(C)(C)O2 810258547 XJINRLWGLAVPJK-FCHUYYIVSA-N 433.552 5.785 30 20 IKED N#Cc1ccccc1CSCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915351844 HDWLJXDYCFLRBZ-XMMPIXPASA-N 426.545 5.269 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(Cl)c3c(c2)OCCCO3)cc1 915352203 IOWUGQRIIJEAMD-OAQYLSRUSA-N 447.922 5.478 30 20 IKED Cc1ccc(C(C)C)c(O[C@H](C)C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1 916847726 UQAKSDIJAOBHFQ-CRAIPNDOSA-N 449.576 5.351 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 916902023 CAYZOXMPIFPIPH-FUHWJXTLSA-N 442.943 5.204 30 20 IKED N#C[C@@H](C(=O)COc1ccc(-c2ccccc2)cc1Cl)C(=O)Nc1ccccc1Cl 916908325 HFQRJZBAGBBPIB-KRWDZBQOSA-N 439.298 5.387 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(NC(=O)C3CCCCC3)c2)cc1 916950643 VIJLAHQOVUVPEI-MHECFPHRSA-N 445.563 5.680 30 20 IKED CC(=O)Nc1cccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)c1 917561382 FBWXCYQKZYPCBN-DHZHZOJOSA-N 439.924 5.336 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCc3ncc(-c4ccccc4)o3)n2)cc1 920141973 ODUYMQJCMIHQDY-HXUWFJFHSA-N 438.512 5.536 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ccoc45)CCC3)cc2)c1 1790258802 MWLUSHRSPUYRIP-UHFFFAOYSA-N 435.483 5.366 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(Cl)c3C)CCC2)cc1 1790563526 DXNWAXBOWFNQEQ-QGZVFWFLSA-N 441.959 5.197 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)cc3Cl)cc2)CCC1 1792144442 IVBWXZRXWJWXOH-UHFFFAOYSA-N 448.897 5.308 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)[nH]n1 1821920063 CQJJPEHPCSFSJK-KSSFIOAISA-N 440.544 5.282 30 20 IKED CC(C)(C)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1826334787 RIPNEJUEMYFUHM-QFIPXVFZSA-N 432.725 5.093 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)noc2-c2ccccc2)CC1 1827715054 SMBWTGXHYRDLCJ-WMZHIEFXSA-N 449.595 5.096 30 20 IKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2occc2C)CC1)c1ccccc1 1827738320 PSQSERAIZCWPLO-RPBOFIJWSA-N 446.591 5.019 30 20 IKED Cc1c(Cl)cccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1 1829951008 SJQAKJHGROHYCZ-XMMPIXPASA-N 449.982 5.067 30 20 IKED Cc1cc(Cl)ccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1 1830011618 XYGKQRHEJFMOBF-XMMPIXPASA-N 449.982 5.067 30 20 IKED C=CCn1c(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)nnc1-c1ccccc1 9447372 GMCITMVXNVALRH-UHFFFAOYSA-N 434.609 6.109 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2ccccc2CC)cc1 10174301 NKFFFLXEAINUQU-UHFFFAOYSA-O 431.625 6.075 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)Nc1ccccc1C 11165210 CUYPQOKVTHVKQZ-UHFFFAOYSA-O 444.407 6.203 30 20 IKED CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(-c3ccc(C#N)cc3)cc2)c1 21372835 AUDBRBASWSPDHX-LJQANCHMSA-N 441.531 5.113 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccc(C(C)(C)C)cc2)s1 22729416 RVSBXVCUXCTKKM-UHFFFAOYSA-O 437.654 6.309 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3cccs3)no2)nnc1-c1ccc(Cl)cc1 26037526 HORIMDKFDUQZQG-LBPRGKRZSA-N 429.958 5.749 30 20 IKED CC1CCN(Cc2csc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)n2)CC1 33240890 TUHNTMRGHOGKNQ-UHFFFAOYSA-N 446.576 5.078 30 20 IKED N#C[C@H](C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl)c1nnc2n1CCCCC2 60851332 IWIHPMYNELTFAG-SNVBAGLBSA-N 439.755 5.669 30 20 IKED Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c2)n1 63475535 WPKMIQXZUKHQCS-UHFFFAOYSA-N 437.503 5.168 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@H](C)C(=O)Nc1ccccc1OC(F)F 63641491 ZRGKRQYNLCMQOA-MRXNPFEDSA-N 437.446 5.700 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)cc1 216743525 RFQGDAKYNIRBCA-UHFFFAOYSA-N 444.560 5.414 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1 303473929 IAJNQVSSDBEORU-LJQANCHMSA-N 431.561 5.214 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N(CC1CC1)c1cccc(C(F)(F)F)c1 427509724 PRKPEGJGRAMJRX-UHFFFAOYSA-N 429.442 5.129 30 20 IKED N#CC1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2-c2cccc(Cl)c2Cl)CC1 427572042 LNWFFMZUZUWYHP-UHFFFAOYSA-N 436.726 5.014 30 20 IKED Cc1c(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)sc2ccc(C#N)cc12 429864357 IDEUZZUJODLQGQ-UHFFFAOYSA-N 433.920 5.197 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)s1 430614279 XTRITQNZMNMHCH-INIZCTEOSA-N 433.562 5.240 30 20 IKED COCc1nc2cc(NC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)ccc2o1 431085724 RMCKOIUGZKCFOC-UHFFFAOYSA-N 442.475 5.263 30 20 IKED COc1cc([C@H](C)NC(=O)C2(c3cccc(C#N)c3)CC2)ccc1OCc1ccccc1 435029484 MMRFTMLJNLCYHQ-IBGZPJMESA-N 426.516 5.055 30 20 IKED Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 437499190 STVNBFORVKNEAQ-UHFFFAOYSA-N 433.464 5.696 30 20 IKED O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 438474385 HUEDZPRDSDNTMP-RYUDHWBXSA-N 437.359 5.129 30 20 IKED N#CCC[C@H](NC(=O)C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1 439455861 WHDRXRWRFIUTCW-QHCPKHFHSA-N 447.922 5.019 30 20 IKED N#Cc1cc(N[C@@H](C(N)=O)c2ccc(F)cc2)ccc1Oc1ccc(C(F)(F)F)cc1 439644555 JMGYMGIQANMQOO-HXUWFJFHSA-N 429.373 5.147 30 20 IKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)NCC1CCC(C#N)CC1 441048875 KEJFIDGCTRXBIZ-UHFFFAOYSA-N 441.597 5.197 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(C)(C)c1csc(-c2cccs2)n1 443535684 VMENJLUPRGVXFF-AWEZNQCLSA-N 427.620 6.040 30 20 IKED N#C[C@H]1N(Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CCC[C@@]12CCCCO2 447918586 ZQRIFLUKSKQPLQ-KNQAVFIVSA-N 426.973 5.143 30 20 IKED COc1ccccc1[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1cccs1 461494094 ILFPHDADZKIHLQ-JOCHJYFZSA-N 441.560 5.277 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CC[C@H](CSc3ccccc3)C2)c1 464357975 UMJCSHABKBCLLV-FQEVSTJZSA-N 428.557 5.392 30 20 IKED Cc1nn(-c2ccccc2)c2sc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)cc12 464420663 NTHBDZOMFGTPLW-INIZCTEOSA-N 426.423 5.299 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1coc(-c2ccccc2)n1 466066862 KMCWKBOCFRFGAT-UHFFFAOYSA-N 444.304 5.141 30 20 IKED CSc1cccc([C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)c2ccc(F)c(F)c2)c1 466252619 QADZPQMZMBVLAS-HSZRJFAPSA-N 437.515 5.489 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)Nc3ccccc3O[C@@H]3CCOC3)c2)cc1 470794613 VCUXEKGHNGUVBA-HSZRJFAPSA-N 443.503 5.143 30 20 IKED Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 470882467 ZNJZZUUIUBOFEZ-OAQYLSRUSA-N 429.907 5.420 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1)c1nc2ccccc2n1C(F)F 474964813 MJOSQOXBTWNJKD-CYBMUJFWSA-N 445.347 6.200 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1nc2c(s1)CCCC2 475632239 CWXWDFNTICKGBV-UHFFFAOYSA-N 446.576 5.445 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 480480332 VUFHFEYKYGLJLQ-UHFFFAOYSA-N 439.002 5.338 30 20 IKED Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 480857851 QKHLHNAGKJBVBL-UHFFFAOYSA-N 438.484 5.644 30 20 IKED CC(C)n1ncc2c1C[C@@H](NC(=O)c1cccc(Oc3ccc(Cl)cc3C#N)c1)CC2 481460414 CHUIRXZIDYWFTP-FQEVSTJZSA-N 434.927 5.069 30 20 IKED C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482429352 XCZZVDMUACOVAM-ICCXJUOJSA-N 434.327 5.264 30 20 IKED N#CCCN(CC(F)(F)F)C(=O)c1ccc(Oc2cccc(Br)c2)cc1 482645226 XTSORZNZRAUIMG-UHFFFAOYSA-N 427.220 5.160 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(F)c(F)c3)n2)nnc1-c1ccc(OC)cc1 483129555 KIWSVRNPOBADJD-UHFFFAOYSA-N 440.475 5.365 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cnn1-c1ccccc1Cl 483283237 LZBDNVRQRGGUTI-KRWDZBQOSA-N 443.919 5.319 30 20 IKED COc1cccc([C@H]2CN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)CCO2)c1 484807779 DAEQDRPVCWARSY-XMMPIXPASA-N 448.906 5.226 30 20 IKED COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 485991967 WJARASQOZMYHDI-UHFFFAOYSA-N 449.488 5.250 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3ccccc3COC3CCOCC3)c2)c1 486831593 BCAKBAWYJZEGOL-UHFFFAOYSA-N 442.515 5.085 30 20 IKED N#CCCC[C@@H](NC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O)c1ccccc1 487320456 AFVJFOKDNPKPLR-OAQYLSRUSA-N 437.902 5.294 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@H](C)c1nc2ccccc2n1C(F)F 489677485 INEHGEWSPZBJSI-OAHLLOKOSA-N 441.507 5.641 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1 490632903 ZLUSPKFYWHDISH-UHFFFAOYSA-N 448.522 6.086 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2cc3cc(Br)cc(Br)c3o2)n1 492625167 FXAHDVNSHUYGRT-JTQLQIEISA-N 440.116 5.213 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 494053778 DOPUZMCSWHUAMM-GOSISDBHSA-N 431.001 5.085 30 20 IKED C[C@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccc(NC(=O)Nc2ccccc2)cc1 497810119 YUQIDHJERPFNSZ-SFHVURJKSA-N 442.519 5.237 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccccc2C(F)(F)F)cc1C 499209993 GNZIGKVKOPLJHO-UHFFFAOYSA-N 426.442 5.029 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(-c2cccc(Cl)c2)no1 499391560 RQPAOBPFFZPPCL-UHFFFAOYSA-N 430.851 5.615 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@@H](C)O2 499706837 MPIPHANSTNHKPT-LSBZLQRGSA-N 431.985 5.442 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)Nc2cccc(COCc3ccco3)c2)cc1 502648351 CAKPWGZZVUWOPS-UHFFFAOYSA-N 439.471 6.304 30 20 IKED N#CC1(c2ccccc2)CCC(NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1 507621685 OYKQLQLLPYPYGD-UHFFFAOYSA-N 441.541 5.664 30 20 IKED C=CCn1c(CSc2ccccc2OC)nnc1N1CCC(F)(c2ccccc2)CC1 508790806 KWJOYXUXSZSJRN-UHFFFAOYSA-N 438.572 5.230 30 20 IKED COc1cc(F)c([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC 512524233 RVGYPHCNDOMYHO-INIZCTEOSA-N 449.482 5.698 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCC(=O)c2cc(C)sc2C)cc1 512530825 OSHCNMQZTKNMIT-UHFFFAOYSA-N 434.517 5.639 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc(OC)c1OC 514944991 HPHTYNHVHVHWKR-INIZCTEOSA-N 447.491 5.259 30 20 IKED C[C@H](NC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1)c1ccc(C#N)cc1 517614330 GZHMNDLBRWNTAS-DFBJGRDBSA-N 438.531 5.418 30 20 IKED CCN(Cc1ccccc1C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 519440804 XBMCBPPQZLLEQB-UHFFFAOYSA-N 449.498 5.007 30 20 IKED Cc1cc(NC(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)n(CCC#N)n1 520111790 YJQMEOYAZVQDSC-UHFFFAOYSA-N 443.276 5.051 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccccc4Cl)c3)n2)cc1 520337020 ADTCGTYIOLTPDP-KRWDZBQOSA-N 429.892 5.011 30 20 IKED Cc1ccc(C[C@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c2ccccn2)cc1 522441590 KTYXCCSMHSWJFE-QHCPKHFHSA-N 437.465 5.044 30 20 IKED CC(C)OCc1ccccc1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 523195032 WTAZBJRHGGDOJF-UHFFFAOYSA-N 445.538 5.534 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N[C@H]3C[C@H]3c3ccccc3C(F)(F)F)o2)cc1 524379732 URDCDDWHCVIICY-ICSRJNTNSA-N 426.394 5.035 30 20 IKED N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1ccc(Cl)c(Cl)c1 525458547 LFJAZXRRMNJOHX-XEZPLFJOSA-N 429.225 5.377 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)cc1 533767708 PJBKNECPUZEWMU-SFHVURJKSA-N 440.613 5.614 30 20 IKED COc1cccc(COc2cccc(NCc3nnc(-c4cccc(C#N)c4)o3)c2C)c1 534403695 KQEZEBAQNUGDIS-UHFFFAOYSA-N 426.476 5.116 30 20 IKED COCCCN(Cc1ccncc1)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 535615545 DQGGFNCGNSIDOI-UHFFFAOYSA-N 435.911 5.078 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(Cc2ccsc2)CC1 536014550 YJKICEVWPXTKPB-UHFFFAOYSA-N 432.549 5.070 30 20 IKED N#CC1(c2ccccc2)CCC(Nc2cccc(C[S@](=O)Cc3ccccc3)c2)CC1 536100258 UFBVSLXILWMDBY-FEOKUYONSA-N 428.601 5.952 30 20 IKED N#CC1(c2ccc(C(=O)NCc3cn(Cc4ccccc4)nc3-c3ccccc3)cc2)CC1 537398801 OLXXRAOCALQSSS-UHFFFAOYSA-N 432.527 5.084 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)cc1 540275897 LAWQHZFWYZZICB-AOYPEHQESA-N 425.532 5.192 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](CCO)c1ccccc1Br 541043522 DNWNFFFJKZMCNH-PBHICJAKSA-N 448.386 5.089 30 20 IKED Cc1sc2nc([C@@H](C)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)nc(O)c2c1C 542004667 LJFWZUCHGHEWNA-JKSUJKDBSA-N 428.561 5.964 30 20 IKED Cc1[nH]nc(C(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c1C 542170458 QOFLCFMASDJYPP-LBPRGKRZSA-N 433.274 5.098 30 20 IKED CC(C)(C)[C@@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C[C@@H]1O 542634528 VQJYXFCZSMZHKE-SJBKTWHCSA-N 425.960 5.256 30 20 IKED C=CCn1c(S[C@@H](C(=O)OC)c2ccccc2C(F)(F)F)nnc1-c1ccccc1 543031674 OTPDTROIYDZBJU-QGZVFWFLSA-N 433.455 5.156 30 20 IKED CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 544482442 QMGDPMACKOAUIN-MSOLQXFVSA-N 449.366 5.856 30 20 IKED COC(=O)c1cccc(CN[C@@H](c2cccc(SC)c2)c2cc(F)ccc2F)c1C#N 555588962 XVLXDSCFNFTENF-QHCPKHFHSA-N 438.499 5.224 30 20 IKED Cc1cccc(COc2cccc(NC(=O)C(=O)N[C@@H](CCCC#N)c3ccccc3)c2)c1 560280212 COLZDIHWUSSMDS-VWLOTQADSA-N 441.531 5.064 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3nc4ccccc4cc3Cl)c2)c1 562080468 COJUIZDRNOYNSF-UHFFFAOYSA-N 426.863 5.264 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](C)CC[C@H]2c2ccccc2OC)cc1 562142552 NEVCCEKGCQFLHA-RDPSFJRHSA-N 447.579 5.515 30 20 IKED Cc1cc(CCNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)on1 562219291 NSDJMJKBPCGKMZ-UHFFFAOYSA-N 430.386 5.030 30 20 IKED C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H]([C@@H]2CCOC2)C1 573546315 YIKDVEWDYBEOIW-QZTJIDSGSA-N 433.021 5.053 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3csc(-c4ccccc4)n3)c2)cc1 588630851 ZCBXYLYJAYVTCR-UHFFFAOYSA-N 440.484 5.051 30 20 IKED N#C[C@@H](C(=O)c1ccc(CNC(=O)C2CCCC2)cc1)c1nc(-c2ccccc2)cs1 590208111 NPXKFCCLBUVACU-NRFANRHFSA-N 429.545 5.107 30 20 IKED Cc1sc2ncnc(SCC(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c2c1C 603763837 HWLSMSVFXDQWGC-UHFFFAOYSA-N 447.545 5.098 30 20 IKED COc1ccc2[nH]cc(CC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c2c1 603765923 DEYPSCQLSFPPPL-QFIPXVFZSA-N 429.907 5.667 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)cc2)c1 609063755 KNNXHEUTIHZAQL-UHFFFAOYSA-N 449.466 5.433 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@H](c4cc5ccccc5[nH]4)C3)o2)cc1 609070615 FTDPZVYINVSSEY-FQEVSTJZSA-N 425.488 5.231 30 20 IKED CC(C)(C)CN(CCC#N)C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 609191481 GJWBLZMTUIMYHX-UHFFFAOYSA-N 432.351 5.648 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 609427656 XXTYSCHXUMWXJW-ZIAGYGMSSA-N 448.375 5.379 30 20 IKED N#Cc1ccccc1COc1cccc(CNCc2ccc(Oc3cccc(F)c3)nc2)c1 609433303 UAFKPYBGFZOEPC-UHFFFAOYSA-N 439.490 5.753 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 609434933 DDZGFPDTZIXBKL-CVEARBPZSA-N 430.524 5.007 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 609508681 HVKGOSAEGSXLNY-VFUGHAIPSA-N 428.454 5.187 30 20 IKED COCCOCc1cccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 609601624 DLPWZTVOOHOZJA-UHFFFAOYSA-N 431.492 5.466 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ncoc3-c3ccccc3Cl)c2)cc1 610224619 WEXMFTBMYQZEBI-UHFFFAOYSA-N 443.890 5.892 30 20 IKED Cc1ccc(Oc2ccc(N[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)cc2)nn1 610342201 MPHBRMSIKUDBSE-MRXNPFEDSA-N 447.564 5.219 30 20 IKED CC(C)(C)OCc1ccc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 610629924 BMIRJBGWLBZQRK-UHFFFAOYSA-N 443.547 6.291 30 20 IKED N#C[C@@H](C(=O)c1ccc(COc2cccc(Br)c2)o1)c1ccc2ccccc2n1 613292113 AGCGXTKQTBBROU-LJQANCHMSA-N 447.288 5.659 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(C3CC3)cc2)cc1Cl 615151067 QGSGMICALVKYOJ-JOCHJYFZSA-N 429.907 5.450 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618540532 RRBWAXWBUQMYPC-NXEZZACHSA-N 438.290 5.222 30 20 IKED N#C[C@H](C(=O)c1cccc(Nc2ncccn2)c1)c1nc(-c2ccc(Cl)cc2)cs1 642281731 GYZYZOSIWPKNBK-GOSISDBHSA-N 431.908 5.487 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N[C@@H](C)Cc2ccc(C(F)(F)F)cc2)c1C(F)F 676174902 DVCCXQAZAUPSRP-VIFPVBQESA-N 443.338 5.239 30 20 IKED N#C[C@@H](COC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)Cc1ccc(F)cc1 726330095 YMKSEHPPOHYMEY-HNNXBMFYSA-N 448.441 5.436 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)OCc2ccc(OCc3ccccn3)cc2)c1 726689901 QWSLQJBYDGESHK-UHFFFAOYSA-N 440.455 5.061 30 20 IKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)/C=C/c2ccccc2Cl)cc1 727356147 DJEWFIIPALHSBM-JQIJEIRASA-N 438.936 5.398 30 20 IKED N#Cc1cccc(COc2ccc(NC(=S)Nc3ccc4c(c3)OCCCO4)cc2)c1 727979983 AFTNZHWAZPCKOY-UHFFFAOYSA-N 431.517 5.107 30 20 IKED O=C(/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1csc(C(=O)O)c1 730150891 YPQSHJDHODHENJ-DAXSKMNVSA-N 446.311 5.902 30 20 IKED N#C[C@H](C(=O)[C@@H](Oc1cc(Cl)ccc1Cl)c1ccccc1)c1nc2ccccc2o1 730398695 LMULUBDDVVCHRH-ZHRRBRCNSA-N 437.282 6.131 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N(C3CCC3)C2=O)c1 730461424 OLPYFPLPBZLNPA-FQEVSTJZSA-N 443.519 5.094 30 20 IKED O=C(/C=C/c1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc(C(F)(F)F)nc1O 731564732 QYBCYWSYZCCRIA-VMPITWQZSA-N 427.300 5.981 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Oc2ccc(NC(=O)c3ccco3)cc2)c1 734229538 LFPNFSIRTPUZPZ-UHFFFAOYSA-N 438.439 5.202 30 20 IKED C=CC[C@@H](NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C)c1ccncc1 734360294 HYCKEMHVZFXSKV-HXUWFJFHSA-N 429.351 5.167 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CC[C@H](c3ccccc3)[C@H](C)C2)c1=S 742165936 MQELGBUBIZJUPG-CTNGQTDRSA-N 434.609 5.359 30 20 IKED Cc1ccc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1NC(=O)OC(C)(C)C 742521732 OONQKZBMCBQXMH-GOSISDBHSA-N 444.329 5.099 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 742649845 RLRZFGBEIHRXTM-ZDUSSCGKSA-N 437.443 5.301 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2cc(Cl)ccc2OC[C@@H]2CCCO2)S1 743059294 WGNMCEOFIHWEJL-HRVJUDJTSA-N 442.968 5.406 30 20 IKED N#Cc1cc(COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc(O)cc2)CC3)ccn1 746945417 PQCGBQXKCUQJLU-UYRXBGFRSA-N 433.467 5.051 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)cc1 748290785 PTPKQMDYMFCLIB-RUZDIDTESA-N 428.557 5.295 30 20 IKED CCOc1c(OC)cc(/C=C/C(=O)c2cc3cc(Br)ccc3o2)cc1OC 750903109 NPJKIFXASFTTCB-FNORWQNLSA-N 431.282 5.507 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1 756903468 DXSGWFICRJCJMD-UHFFFAOYSA-N 433.895 5.023 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)c1 760774816 WIYRXQHSVBTORP-REWPJTCUSA-N 434.927 5.005 30 20 IKED C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)c2)C1 761850176 NSIBETHBOILIOV-BTZRARBUSA-N 433.552 5.259 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2cccc(F)c2)c2ccccn2)cc1 766290167 SINCGAITMVIENN-AZGAKELHSA-N 436.490 5.787 30 20 IKED CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2ccccc2Sc2ccccc2C#N)cc1 767336765 TZLMKQGYPQEPKE-MRXNPFEDSA-N 444.512 5.096 30 20 IKED Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cn(CCCC#N)c3ccccc23)c(Cl)c1 769539891 BTTIVZHKRYGQDB-QGZVFWFLSA-N 437.927 5.399 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)n2)cc1 770840623 GHVPHPZOSXPSBW-QMHKHESXSA-N 442.540 5.960 30 20 IKED CCOc1ccc(-c2nc(CON=Cc3cc(Cl)c(OCC)c(OC)c3)co2)cc1 772874984 IRFIUXLGLPQFMM-UHFFFAOYSA-N 430.888 5.352 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(Oc3ccccc3)c(F)c2)ccc1OC 772987844 YJQBFRXRRWFITP-RXVVDRJESA-N 434.511 6.158 30 20 IKED COc1cc([C@H](C)NCc2cc(Cl)ccc2OCC#N)ccc1OCc1ccncc1 775022606 DXWJXISUUHGQNT-KRWDZBQOSA-N 437.927 5.076 30 20 IKED Cc1cc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c(C)n1[C@@H](C)c1ccccc1 778446758 HHKCQGFEZRARAP-QFIPXVFZSA-N 440.591 5.002 30 20 IKED CC(C)n1ncc2cc(C=NOCc3ccc(F)cc3Br)c(Cl)nc21 780287484 CAJSFGPRBQILKF-UHFFFAOYSA-N 425.689 5.118 30 20 IKED Cc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)s2)o1 781745421 HSONRHWXSWHILS-OAHLLOKOSA-N 440.546 5.506 30 20 IKED Fc1ccc(-c2nc(C=Nn3c(S)nnc3CSc3ccccc3)cs2)cc1 782245792 POVBBXTXOAVBHX-UHFFFAOYSA-N 427.555 5.004 30 20 IKED O=C(/C=C\c1cn(Cc2cccnc2)nn1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 783705327 IQODZFRAZBABRI-FPLPWBNLSA-N 440.450 5.365 30 20 IKED N#Cc1cccnc1Oc1ccccc1NC(=S)Nc1cccc(OC(F)(F)F)c1 783726792 IDNXQPRDEHVBJP-UHFFFAOYSA-N 430.411 5.453 30 20 IKED C[C@@H](OC(=O)CCN1c2ccccc2Sc2ccccc21)C(=O)Nc1ccccc1C#N 785485150 MSWRHDYDNRUJHS-QGZVFWFLSA-N 443.528 5.121 30 20 IKED N#Cc1cc(F)c(C(=O)Oc2ccc(Oc3ccc(Br)cn3)cc2)c(F)c1 786672214 LCAQAVKCFFFCAJ-UHFFFAOYSA-N 431.192 5.005 30 20 IKED N#Cc1cccc(-c2nnc(CSc3nc4c(Br)cccc4s3)o2)c1 794457631 SXEZCTMNXAHNGP-UHFFFAOYSA-N 429.324 5.273 30 20 IKED C=CCOc1cccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)c1 797272571 NZXIWDYDGHIDLT-ATVHPVEESA-N 432.332 5.746 30 20 IKED CC(C)(C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1csc(-c2cccs2)n1 800387892 WOCJQNZEZJCRNH-GFCCVEGCSA-N 442.516 5.770 30 20 IKED Cc1ccc(C2=NO[C@H](CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)C2)cc1 800677904 YKMDCEOXYKQYQF-QFIPXVFZSA-N 441.556 5.082 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)[C@H](C)Cc2ccccc2C(F)(F)F)c1 805113663 KOPXIBDLPOTUHW-APWZRJJASA-N 433.474 5.159 30 20 IKED C=CC[C@H](NC(=O)NCc1cccc(Oc2cc(OC)cc(OC)c2)c1)c1ccncc1 806820483 XHYMRYUAYSKBHC-DEOSSOPVSA-N 433.508 5.008 30 20 IKED Cc1ccc(N2C(=O)C[C@H](C(=O)[C@@H](C#N)c3nc4ccccc4o3)[C@@H]2c2cccs2)cc1 915102621 ARTXQLTUDFWWIS-YZZKKUAISA-N 441.512 5.168 30 20 IKED Cc1sc2ncn(N=Cc3cccc(OCC(F)(F)F)c3)c(=O)c2c1-c1ccccc1 915945682 UBAORSVPUPRJPX-UHFFFAOYSA-N 443.450 5.257 30 20 IKED O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(F)cc1F 916128028 FOZOUOJXDUKRDN-RUDMXATFSA-N 432.253 6.420 30 20 IKED C[C@H](Sc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916845915 VRBUKEUWXGPCLA-XHDPSFHLSA-N 443.981 5.286 30 20 IKED C[C@@H]1CCc2[nH]c3ccc(C(=O)[C@H](C#N)C(=O)Nc4ccc(Cl)cc4Cl)cc3c2C1 916928708 ROXSDBDXTSLEMT-PXAZEXFGSA-N 440.330 5.561 30 20 IKED CC(C)Cc1ccc(C(=O)CCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 916932130 PZLGGDAVYYQCKC-SFHVURJKSA-N 445.346 5.502 30 20 IKED Cc1sc(=O)n(CC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c1-c1ccc(F)cc1 917026507 FWHYAXNILJFKPT-SFHVURJKSA-N 449.532 5.024 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(C)Cc2csc3ccccc23)c1=S 917454220 FHXXZJQJTJIMKE-UHFFFAOYSA-N 436.606 5.580 30 20 IKED COc1cccc2cc(C(=O)/C=C\c3csc(N(C(C)=O)c4ccc(F)cc4)n3)oc12 917559486 JOKVGEJGEMYGIS-FLIBITNWSA-N 436.464 5.618 30 20 IKED Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)OCC(=O)[C@H](C#N)c5nc(C)cs5)(C4)C2)C3)cc1 921249183 DNRXINFIDFRQDL-PXGMSDNNSA-N 448.588 5.018 30 20 IKED Cc1cc(Nc2ccc3c(c2)CCCC3)c(C(=O)N[C@H](C)c2ccc(C#N)cc2)c(O)n1 1441127415 AZJIJVKDIRRCFP-QGZVFWFLSA-N 426.520 5.081 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)C34CC(C(F)(F)F)(C3)C4)cc2)CCC1 1786461816 YKNWKPWERYTIPN-UHFFFAOYSA-N 432.486 5.047 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5ccncc45)cc3)CCC2)cc1 1790858557 NPHRCMJBIOTCOR-UHFFFAOYSA-N 446.510 5.168 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)CCOc3ccc(C)cc3)CCC2)cc1 1791296395 UQOOCMUXBYOYOT-UHFFFAOYSA-N 442.506 5.109 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ccc4cnccc4c3)CCC2)cc1 1791298625 KBSJZWQUKAQDSB-UHFFFAOYSA-N 435.474 5.194 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c(-c2ccc(C)cc2)c1 1794589452 XDBDHIGYXSLYAE-NUNAXRQHSA-N 433.596 5.234 30 20 IKED CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@H](C)C#N)c1)c1ccccc1 1803676990 WACXYCBZZUSEPY-OMJUENHASA-N 443.591 5.005 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3ccoc23)[C@@H]1c1cccnc1 1810502817 MIBZKFFCUKWAIW-FYYLOGMGSA-N 445.563 5.140 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C3CC3)cc2)[C@H]1c1cccnc1 1811834390 FBAHKFNOFAGICU-JWQCQUIFSA-N 445.607 5.271 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3cnccc23)n[nH]1 1819128404 DKGGRZLWGPEFBD-WMZHIEFXSA-N 443.551 5.032 30 20 IKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC2CCC(C)(C)CC2)CC1 1824502343 IIOCVODSOKJXJT-XMMPIXPASA-N 446.676 5.195 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc3ccccc3c2)CC1 1831369633 CHZMQSCBSHMQRY-QFQXNSOFSA-N 432.608 5.214 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2cccc(C(F)(F)F)c2)[n+]2ccccc2)c1 11128902 YVZNKUHALWWCNX-UHFFFAOYSA-O 429.487 5.661 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc(N(C)C)cc2)cc1 14872470 QDXBKZORMVUAHI-UHFFFAOYSA-O 436.576 5.101 30 20 IKED CCc1cccc(C)c1/N=C1\NC(=O)[C@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)S1 16939082 FTWQHQMLALFGDE-INIZCTEOSA-N 436.364 5.112 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1OC 21141782 KSLJXUSIEYIWKY-ZRDIBKRKSA-N 434.517 5.226 30 20 IKED C=CCN(C(=O)c1sc(COc2ccc(F)cc2)nc1C)c1nc2c(s1)CCCC2 23451298 LVOVUSUGLGLGJQ-UHFFFAOYSA-N 443.569 5.338 30 20 IKED Cc1cc(N(CCC#N)C(=O)COc2ccccc2C(=O)Nc2ccccc2)ccc1Cl 31679104 YSPBQJCKVHXDOU-UHFFFAOYSA-N 447.922 5.226 30 20 IKED CCCn1c(S[C@@H](C#N)Cc2ccc(C)cc2)nc2ccc(Br)cc2c1=O 60709030 ZKNLZOHCFHNYIB-QGZVFWFLSA-N 442.382 5.104 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(C)cc2OC)nc1 61574875 CCDMGAGUBKMQTG-UHFFFAOYSA-N 430.508 5.507 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1ccccc1OCc1ccc(Br)cc1 64455742 UZPDVVNAFPTMTB-UHFFFAOYSA-N 437.293 5.161 30 20 IKED Cc1c(C(=O)Nc2cccc(OCCCC#N)c2)cnn1-c1cccc(C(F)(F)F)c1 108296199 BQANWJJQEKFOFI-UHFFFAOYSA-N 428.414 5.134 30 20 IKED N#CCCCOc1cccc(NC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)c1 110065098 VLKLRODYFIZQCK-UHFFFAOYSA-N 431.439 5.764 30 20 IKED CCN(C[C@@H](C)C#N)Cn1nc(-c2ccc(Cl)cc2Cl)n(CC(C)C)c1=S 110494456 GCUFMKXJDXLUQV-AWEZNQCLSA-N 426.417 5.483 30 20 IKED CN(Cc1cccc(C(F)(F)F)c1)C1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1 301273978 IIHYCGXJXFFIRY-UHFFFAOYSA-N 442.407 5.092 30 20 IKED O=C(O)[C@H](Cc1c(F)cccc1Cl)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 426748506 YCDUCARKIQPYAP-HNNXBMFYSA-N 443.746 5.302 30 20 IKED N#C[C@H](C(=O)c1ccc(I)c(Cl)c1)c1nc2ccccc2s1 429343040 AUFBSSPFOPXYIF-SNVBAGLBSA-N 438.677 5.044 30 20 IKED C=C(C)Cn1c(SCC(=O)N(c2ccccc2F)C2CCCC2)nnc1-c1ccco1 429536801 PESUBZNEDBZGOU-UHFFFAOYSA-N 440.544 5.321 30 20 IKED N#Cc1ccc(NC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c(Cl)c1 430359866 WSDGPVYAOKOYEH-UHFFFAOYSA-N 429.863 5.391 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 432679187 HDLUQAYVFWJOAK-UKILVPOCSA-N 442.950 6.552 30 20 IKED COC(=O)C[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)c(F)c1 434211045 FAWKZYMEULFFGZ-SCLBCKFNSA-N 449.935 5.299 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccccc3NCc3cccnc3)c2)cc1 434234127 CILDVPPIQNQSMN-UHFFFAOYSA-N 448.526 5.591 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1)c1ccccc1 435763653 RBAHAKVOWKYUPZ-WMZHIEFXSA-N 438.547 5.076 30 20 IKED CCOc1cccc2[nH]cc(CC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c12 438057307 JVIWOHXZRDNNCC-UHFFFAOYSA-N 439.515 5.393 30 20 IKED Cc1ccc(CN(C(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C(C)C)s1 438695873 HLAJYSJECCVRQY-UHFFFAOYSA-N 433.533 5.096 30 20 IKED COc1cc(CN(C)C(=O)N[C@H](CCC#N)c2ccccc2)ccc1OCc1ccccc1 438843008 RLGWRPXWNFWEQH-XMMPIXPASA-N 443.547 5.461 30 20 IKED COc1cccc(C(NC(=O)N[C@H](CCC#N)c2ccccc2)c2cccc(OC)c2)c1 438863626 WJPUUOFFHGAQBI-XMMPIXPASA-N 429.520 5.137 30 20 IKED C=C(C)Cn1c(S[C@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)nnc1-c1ccncc1 438899331 ZFQXPUORCGXQCP-KRWDZBQOSA-N 449.363 5.229 30 20 IKED C[C@H](Nc1ccc(Oc2ccccc2C#N)cc1)c1nc(Cc2ccc(Cl)cc2)no1 439579610 ZAACJZRIHCQDNB-INIZCTEOSA-N 430.895 6.151 30 20 IKED C[C@@H]1CCN(CC(=O)Nc2ccccc2SCC#N)[C@H]1c1ccc(C(F)(F)F)cc1 441272218 TWNCHBFRQARJPO-QVKFZJNVSA-N 433.499 5.343 30 20 IKED C=CCn1c(SCc2cc(C)nc(-c3ccc(Cl)cc3)n2)nnc1-c1cccnc1 443531861 QRIKCDJPJXUVTQ-UHFFFAOYSA-N 434.956 5.237 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(-c2nc(-c3nnc(-c4ccccc4)o3)no2)cc1 446005232 XPHQYZHWCMGRFA-UHFFFAOYSA-N 425.379 5.257 30 20 IKED N#Cc1cc(N2CCC(c3nc4cc(Cl)ccc4s3)CC2)nc2ccc([N+](=O)[O-])cc12 461455014 AUYKYOUECVRLRK-UHFFFAOYSA-N 449.923 5.662 30 20 IKED C[C@H](C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F)c1cccc(C#N)c1 463583865 SHKRCVQAWZNZMS-HNNXBMFYSA-N 437.421 5.572 30 20 IKED C[C@@H](C(=O)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21)c1cccc(C#N)c1 464274749 WHKUUPKRCQQEJY-QGZVFWFLSA-N 427.479 5.033 30 20 IKED Cc1csc([C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)n1 466092185 MOLLRWKYTYFZKR-TZIWHRDSSA-N 436.968 6.033 30 20 IKED CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 466988787 UHVMWLXOMSQKGV-UHFFFAOYSA-N 430.470 5.216 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@@H](C)c2cc3ccccc3s2)nnc1-c1ccco1 468294608 FXIXHAODDDDCLN-HNNXBMFYSA-N 438.578 5.298 30 20 IKED C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N(CCC(F)(F)F)CC(F)(F)F 468516522 IYLMTHCUTVTOOU-SECBINFHSA-N 438.181 5.110 30 20 IKED CC(C)(C)C1CCC(C#N)(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)CC1 470186539 SQSWLCCESQGYKX-UHFFFAOYSA-N 432.977 5.097 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 471690062 WUWCSDVBAQTKSL-OAQYLSRUSA-N 445.563 5.518 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1 475576312 WBCDOLXYBPKILS-RXFWQSSRSA-N 436.596 5.985 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)c(C(F)(F)F)c1 480927886 GTKGTTRIPPQUMQ-KGLIPLIRSA-N 449.498 5.284 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Br)nnc1-c1cccs1 481392090 KOYFPKYGPNRQJF-GFCCVEGCSA-N 449.399 5.074 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1cnc2ccccc2n1 483229114 FQTDQUWKRGEODE-QGZVFWFLSA-N 447.420 5.202 30 20 IKED C=CCSc1ccccc1C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 486404167 HKAFXNHBRHDBBX-CYBMUJFWSA-N 444.354 5.268 30 20 IKED N#CCc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2C2CCCCC2)cc1 489440190 SCIDAMRXOXLLKN-UHFFFAOYSA-N 445.592 5.171 30 20 IKED N#Cc1ccc(-n2nccc2NC(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1 497919659 QAFBLDAYVOSHQY-UHFFFAOYSA-N 427.514 5.334 30 20 IKED Cc1sc([C@@H](C)NC(=O)NC2(c3cccc(C#N)c3)CC2)nc1-c1ccc(Cl)cc1 499222823 NPGPOVCWDAUJQE-CQSZACIVSA-N 436.968 5.693 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3csc(CCc4ccccc4)n3)s2)cc1 500039671 PJOYCXWRDPPWKE-UHFFFAOYSA-N 430.558 5.100 30 20 IKED CC(C)c1ccccc1NC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 505775629 CGXMCJRCYUTQSZ-INIZCTEOSA-N 430.360 6.486 30 20 IKED Cc1cc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)ccc1Oc1cccnc1 506805671 OEPHOOODFFWZAD-UHFFFAOYSA-N 430.483 5.048 30 20 IKED CCCN(CC)C(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 511763928 ARNVKPPVMVEAOH-NRFANRHFSA-N 447.560 5.181 30 20 IKED C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)S(=O)(=O)c1ccc(C#N)cc1F 512590628 ANVNUEDWKSUVHR-JTQLQIEISA-N 425.268 5.194 30 20 IKED CN(Cc1ccccc1NC(=O)c1cc(C#N)ccc1Cl)C(=O)c1cc2ccccc2o1 512793583 UHWQWFBHCSEPKV-UHFFFAOYSA-N 443.890 5.482 30 20 IKED Cc1nc(COc2cccc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)c2)cs1 512954132 XSEQVZUVKYAKAK-IBGZPJMESA-N 432.530 5.039 30 20 IKED C=CCOc1cccc(N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c1 513187921 JZAMUKVEBORVAV-JOCHJYFZSA-N 437.883 5.605 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)nnn1-c1ccc(F)c(Cl)c1 520904571 LBELOZWVMHSXHQ-LBPRGKRZSA-N 446.294 5.121 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 521258960 GWULGDFKRCXNFP-OXQOHEQNSA-N 447.526 6.716 30 20 IKED CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 521309972 ZNICHUNXYCHCSX-IBGZPJMESA-N 446.378 5.158 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1c[nH]c2ccc(Cl)cc12 523506364 MNJPKIXDLTVMCC-UHFFFAOYSA-N 429.907 5.762 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 523754810 ZNNSQBBJWPXGFL-UHFFFAOYSA-N 429.273 5.355 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]3c3ccncc3)cc2Cl)c1 524441352 CUFZQPUWPZZUFE-JOCHJYFZSA-N 432.911 5.555 30 20 IKED CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c(C)c1 524503416 ODPBMIGBLGVRFJ-LJQANCHMSA-N 441.531 5.226 30 20 IKED C[C@@H](CC(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c1ccccc1C(F)(F)F 525558541 UPLCXJITPHCCPU-AWEZNQCLSA-N 428.376 5.662 30 20 IKED C=C[C@H](CC(=O)Nc1nc(-c2ccc(CCCNC(C)=O)cc2)cs1)c1ccccc1 533940993 DQPYUUATZJPXQS-HXUWFJFHSA-N 433.577 5.177 30 20 IKED C=C[C@H](CC(=O)N(C[C@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F)c1ccccc1 533955896 XKRGFIJDKQKZLW-FCHUYYIVSA-N 430.514 5.259 30 20 IKED Cc1cc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CC3)nn1CCC#N 535766325 HZMPWWOEYMWNQN-ICFOKQHNSA-N 439.544 5.454 30 20 IKED Cc1ccc(-c2ncco2)cc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 536256136 DJTMGAAHOINIRY-UHFFFAOYSA-N 440.478 5.895 30 20 IKED N#CC1(c2ccc(C(=O)Nc3ccc(CN4C(=O)Cc5ccc(Cl)cc54)cc3)cc2)CC1 537431853 JQMQYWKBKOGCCQ-UHFFFAOYSA-N 441.918 5.237 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 537493223 PEWWIUZPRUOJCJ-FPOVZHCZSA-N 443.469 5.138 30 20 IKED C=CCn1c(SCc2cc(-c3c(OC)ccc4ccccc34)no2)nnc1-c1ccco1 538660517 XZRXAXWESNGUGM-UHFFFAOYSA-N 444.516 5.833 30 20 IKED COc1ccc(SC)c(OC)c1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 540496976 YZORWIGZPVWIBV-UHFFFAOYSA-N 448.544 5.323 30 20 IKED CC(C)c1ccc(Sc2ccc(NC(=O)N(C)CCCc3[nH]nc(N)c3C#N)cc2)cc1 540950713 VJZSIFZNBPOJFK-UHFFFAOYSA-N 448.596 5.235 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1 541357090 IONIYUQNVYXSSR-UHFFFAOYSA-N 444.459 5.166 30 20 IKED CC(=O)Nc1cc(C(=O)N(C)[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)ccc1F 542178680 IKMXYIPMARYWOC-INIZCTEOSA-N 436.327 5.179 30 20 IKED CSc1cc(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1NC(C)=O 542926885 ARRMHGFJTOBACQ-MRXNPFEDSA-N 429.545 5.397 30 20 IKED N#CCCn1cc(/C=C\c2nc(-c3cccc(NC(=O)c4ccco4)c3)no2)c2ccccc21 546318005 IYMVWJHTURWJFW-QXMHVHEDSA-N 449.470 5.621 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)C1(c2cc(F)cc(C#N)c2)CC1 552805975 WEALYUYICPFQPD-UHFFFAOYSA-N 444.350 5.425 30 20 IKED Cc1cccc(-c2cccc(CNC(=O)C(=O)Nc3ccccc3S[C@H](C)CC#N)c2)c1 553680341 LPQKCZSCWUOWDX-LJQANCHMSA-N 443.572 5.311 30 20 IKED CC(C)(C)c1ccc(-c2nnc(SCc3ccc(C#N)cn3)n2Cc2ccco2)cc1 555685320 YXZQGKMBXASJMZ-UHFFFAOYSA-N 429.549 5.443 30 20 IKED N#CCC[C@H](NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccccc1 560090932 PVOORGBYHQGLDX-VXKWHMMOSA-N 445.485 5.517 30 20 IKED N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCC(C(=O)c2ccc(Cl)cc2)CC1 561130120 NLRGPRYASSIGHI-UHFFFAOYSA-N 429.829 5.276 30 20 IKED COCC[C@@](C)(C#N)NC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1 565272120 RWUWPFCILRXXGD-QFIPXVFZSA-N 428.941 5.427 30 20 IKED Cc1cc(C)c(C(=O)CCCC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c(C)c1 565615087 NKJNAFOFXYJWQG-UHFFFAOYSA-N 436.527 5.046 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)cc1 569035964 RDJLSHDVUURIHE-HSZRJFAPSA-N 442.519 5.155 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3cc(C#N)c4ccccc4n3)cc(-c3ccccc3)nc21 569046552 COJJSZKLJYMUDX-UHFFFAOYSA-N 432.487 5.351 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 570187593 ZWSJUQJZAVWGQF-UHFFFAOYSA-N 431.540 5.327 30 20 IKED C=CCC[C@@H](NC(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1ccccc1 579419438 ILPQLLMBFUOVRH-LJQANCHMSA-N 444.457 5.348 30 20 IKED C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CC[C@H](CC(F)(F)F)C1 580881525 XDRTZHRSBWKWTO-CYBMUJFWSA-N 429.284 5.062 30 20 IKED C=CCOc1ccccc1CNCc1cc(Br)ccc1OCc1ccccn1 600809418 GIDFNVZDSQLMKB-UHFFFAOYSA-N 439.353 5.278 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 603519061 DNQAJXFYOQLAEO-UHFFFAOYSA-N 439.437 5.817 30 20 IKED C[C@@H](NC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1)c1ccc(C#N)cc1 603649233 SIBIGRCQTGPFIY-CYBMUJFWSA-N 441.354 5.251 30 20 IKED Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3sc(-c4ccccc4)cc3C#N)C2)cc1 603969068 ZAFWPXYGOLVHNO-HXUWFJFHSA-N 429.545 5.086 30 20 IKED C[C@@H](NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1)c1ccc(C#N)cc1 604170377 CHSJXANUKNMPBT-OAHLLOKOSA-N 448.320 5.064 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 604275969 DHYZDQOOJDWSPM-ZACQAIPSSA-N 449.439 5.001 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)ccc21 604691020 WXRHEHXKBBFWTI-CQSZACIVSA-N 425.414 5.013 30 20 IKED C=CCn1c(Sc2cc(C(F)(F)F)nc(-c3cccnc3)n2)nnc1-c1ccoc1C 604882586 MWSWTBONCSIUHN-UHFFFAOYSA-N 444.442 5.055 30 20 IKED N#C[C@@H](NC(=O)c1ccc(N2CCCCCC2)nc1)c1ccc(OCc2ccccc2)cc1 609173832 YHPDPRWRSQMCDY-RUZDIDTESA-N 440.547 5.036 30 20 IKED Cc1ccc(-c2nc(CSCC(=O)Nc3ccccc3S[C@@H](C)CC#N)co2)cc1 609388670 BFQXJAINACZQLQ-KRWDZBQOSA-N 437.590 5.916 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(-c4cnc(C5CC5)o4)cc3)cc2)cc1 609499109 QGRAFJSBVHXAOV-UHFFFAOYSA-N 435.483 6.330 30 20 IKED CC(C)(C(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1cccc(Br)c1 609509245 WTCOELIJMUNPLF-UHFFFAOYSA-N 441.369 5.105 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 609723885 JSOCUYCATCYZIG-MRXNPFEDSA-N 447.947 6.651 30 20 IKED CC(C)n1c(CCNC(=O)c2ccccc2Sc2ccccc2C#N)nc2ccccc21 609838841 GNYCATLEXZEQRN-UHFFFAOYSA-N 440.572 5.613 30 20 IKED CN(C(=O)NCc1ccc(C#N)cc1F)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 610509655 FSXIWMNOEKXFLK-JOCHJYFZSA-N 425.866 5.421 30 20 IKED Cc1cc(I)ccc1NC(=O)c1c(Cl)cc(C#N)cc1Cl 611093298 WGSRUTMJWJQCDE-UHFFFAOYSA-N 431.060 5.030 30 20 IKED CCc1nc([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)no1 611186117 PMWVGIYHLUYYCA-SFHVURJKSA-N 436.899 5.317 30 20 IKED COc1ccc(CN(C(=O)NCc2ccc(C#N)cc2F)[C@@H]2CCCC[C@H]2C)cc1OC 611327596 LNESYLOGQLQFGK-VGOFRKELSA-N 439.531 5.005 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1)c1cccc(C#N)c1 619020815 KNSZOXRETLFASA-GFCCVEGCSA-N 428.279 5.330 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2SCc2ccco2)cc1 619210330 GTYOAYJGJIWROW-UHFFFAOYSA-N 432.545 5.638 30 20 IKED Cc1c(F)cccc1C(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517248 DQRKECUUAICXBO-QGZVFWFLSA-N 435.339 5.385 30 20 IKED O=C(NCC1(c2ccc(F)cc2)CCC1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 623854468 YSLHZOHADXOEFQ-FOLVSLTJSA-N 440.403 5.456 30 20 IKED C[C@H]1Sc2ccc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2NC1=O 642282049 HADVIJKVXMTFLJ-SKDRFNHKSA-N 447.463 5.238 30 20 IKED COC[C@H](NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 675739779 ZTXMKUJPBYKEBH-NFAWXSAZSA-N 437.346 5.892 30 20 IKED Cn1ccnc1[C@H](NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1F 676415563 PDKBGSDUWLCJSI-QGZVFWFLSA-N 431.355 5.476 30 20 IKED C=CCN(C(=O)c1cn(CCC)nn1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 677994356 LDDLYRUYIGOSFR-UHFFFAOYSA-N 429.549 5.311 30 20 IKED O=C(Nc1ccc(F)cc1OCC(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 678664973 BCJQZAVQJVHRCX-DTORHVGOSA-N 438.290 5.064 30 20 IKED CC(=NNc1nc2ccccc2c(=O)n1CCCOC(C)C)c1cccc(C(F)(F)F)c1 725842367 GAEAGLGNFLAXKB-UHFFFAOYSA-N 446.473 5.067 30 20 IKED Cc1nn(-c2ccc(Br)cc2)c(C)c1C=NNc1ccc(OC(F)F)cc1 726427189 SBRNYMGQRLYIRT-UHFFFAOYSA-N 435.272 5.299 30 20 IKED CCOc1ccc(OCC)c(NC(=S)Nc2ccccc2Oc2ncccc2C#N)c1 726899000 JVGQJYFZORQZJN-UHFFFAOYSA-N 434.521 5.352 30 20 IKED CC(=O)c1ccc(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 728062690 NWKBJPLQQZQIPN-SFHVURJKSA-N 427.504 5.087 30 20 IKED Sc1nnc(-c2ccccc2Br)n1N=Cc1csc(-c2cccs2)n1 728427929 LJPJALUIYKFRRQ-UHFFFAOYSA-N 448.396 5.064 30 20 IKED C[C@H](OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1cc(F)ccc1F 729431211 IILMVWKYIWJLIO-QMMMGPOBSA-N 441.274 5.186 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)O[C@@H](c1cccc(Cl)c1)C(F)(F)F 730419532 ZYKYCVSBHKKIOL-IBGZPJMESA-N 427.806 5.226 30 20 IKED Cc1cc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc(C)c1OC(F)F 730745743 XSYHYVKEMUOBME-RYUDHWBXSA-N 433.339 5.544 30 20 IKED C#CCOc1cccc(NC(=O)N(C)[C@H]2CCSc3ccc(Br)cc32)c1 731112449 IVUYYPXVHPFMQN-SFHVURJKSA-N 431.355 5.162 30 20 IKED COc1cc2c(cc1NC(=O)CNc1ccccc1S[C@@H](C)CC#N)oc1ccccc12 731351884 FNSPMPVEBUACGU-INIZCTEOSA-N 445.544 6.039 30 20 IKED COCC(=O)Nc1ccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 733623481 NIQXISZAFRFJAI-OAQYLSRUSA-N 448.910 5.224 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC(Oc3ccc(C(C)C)cc3)CC2)c1 733805923 ZJBPFSUEWOZKJY-QFIPXVFZSA-N 435.568 5.244 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 733844779 CUBAOIMMZUECIP-NRFANRHFSA-N 426.476 5.353 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Cc3ccc(F)c(Br)c3)c2)s1 739595439 IVVWNRUZTZWGDT-UHFFFAOYSA-N 429.314 5.047 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cccc(CSC(C)C)c2C)ccc1OC 743205134 KRRVRRLOYRKVSX-HXUWFJFHSA-N 441.597 5.648 30 20 IKED C[C@@H]1CN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C[C@@H](c2ccc(F)cc2)O1 743624640 GSFBOIZXRQPKHU-ZHRRBRCNSA-N 435.524 5.097 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)cc1 744935955 KHFNYXBAOQNXNA-CQSZACIVSA-N 446.315 5.087 30 20 IKED N#Cc1cc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c(Cl)c([N+](=O)[O-])c1 746482498 UCVKBRPYTRFURL-UHFFFAOYSA-N 443.850 5.225 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)C(=O)c1cccc(F)c1 747108891 MLMAKHWOSZAUCE-FZKQIMNGSA-N 426.900 5.688 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)CCc2ncc(-c3ccccc3Br)o2)n1 747198279 WLEDNCSUJHSPFN-AWEZNQCLSA-N 444.354 5.493 30 20 IKED C=CCn1c(-c2ccccc2F)nn(CN(Cc2ccccc2)C[C@H]2CCCO2)c1=S 747786918 UJOBWDVFMKOUEN-HXUWFJFHSA-N 438.572 5.045 30 20 IKED Cc1ccnc2[nH]c([C@H](C#N)C(=O)/C=C/c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc12 750726195 ZZRVTQPAMYAIPE-BAABZTOOSA-N 438.331 5.194 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)cc1C#N 752195087 VKTSMMWIZQPLQP-UHFFFAOYSA-N 449.492 5.084 30 20 IKED N#CCOc1cccc(CC(=O)N(Cc2ccccc2OC(F)(F)F)C2CCCC2)c1 760444011 BMLZPLLFJXVLDB-UHFFFAOYSA-N 432.442 5.001 30 20 IKED N#C[C@H](C(=O)CCCOc1ccc2c(c1)OCO2)c1nc2cc(C(F)(F)F)ccc2s1 766265357 UQHCCHSRXNRFFD-CQSZACIVSA-N 448.422 5.079 30 20 IKED CN(C(=O)c1ccccc1NC(=O)c1cn(CCCC#N)c2ccccc12)C1CCCCC1 767691103 ABULGZNKJUOEPZ-UHFFFAOYSA-N 442.563 5.602 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(C)nc2Sc2ccccc2)ccc1OC 768044488 HJYIVWSQWMQQLT-IBGZPJMESA-N 447.560 5.161 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCCC[C@H]2c2cccc(Cl)c2)ccc1OC 770613205 WBCQYBAYPXDBEX-SFTDATJTSA-N 441.959 5.466 30 20 IKED COc1cc([C@@H](C)NCc2cc(Cl)ccc2OCC#N)ccc1OCc1ccncc1 775022637 DXWJXISUUHGQNT-QGZVFWFLSA-N 437.927 5.076 30 20 IKED C[C@H](OC(=O)[C@@H](Sc1ccccc1)c1ccccc1)C(=O)N(CCC#N)c1ccccc1 775202047 YPVNMOXZZHGFMT-RDPSFJRHSA-N 444.556 5.399 30 20 IKED CCOc1ccc(-c2nc(COC(=O)c3ccc(C4(C#N)CC4)cc3)cs2)cc1OC 777177394 WYCIFJNIZBQZTO-UHFFFAOYSA-N 434.517 5.130 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1 780161494 FAWHRVMQLAASPK-NYHFZMIOSA-N 441.314 6.043 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 780675716 SPHZLZWUEGIEIL-IBGZPJMESA-N 437.503 5.152 30 20 IKED CC[C@H](C#N)OC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 781141573 LXRWUXPMORNKPK-QGZVFWFLSA-N 427.576 5.415 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 782514790 WEHKNBAASUQKAM-KBMIEXCESA-N 438.531 5.467 30 20 IKED C#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccsc1 790743003 SVSNYSHGJGCXRN-HXUWFJFHSA-N 439.606 5.129 30 20 IKED COC(=O)[C@@H](Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1)c1ccc(C#N)cc1 797864641 LYVBSOXSHUKWPT-QFIPXVFZSA-N 438.430 5.161 30 20 IKED CC(C)(C)c1cnc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)o1 805856817 CNKHDMBGJXYWSE-CQSZACIVSA-N 448.375 6.211 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)c3ccc(-c4noc(C(F)F)n4)cc3)c2)s1 806903618 RWCQTRRMLFWIPI-UHFFFAOYSA-N 436.443 5.204 30 20 IKED Cc1nc(C(=O)O[C@H](c2ccc(C(F)(F)F)cc2)C(F)(F)F)nn1-c1ccc(F)cc1 809128291 RVPWDXDIDHFARC-OAHLLOKOSA-N 447.310 5.194 30 20 IKED CC(C)(C)OC(=O)N1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)c2ccccc21 811512388 CRRXMAGRZPVLOD-UHFFFAOYSA-N 443.551 5.225 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2nccc3ccccc23)cs1 811699859 YFFXSUQYVAXERH-DHZHZOJOSA-N 433.920 5.925 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2csc(-c3ccccc3F)n2)ccc1OC 812723647 KGDSKZFHSGGWFI-WBVHZDCISA-N 425.529 5.490 30 20 IKED CCCc1c(N[C@@H](C)c2ccc(N3CCCOC3=O)cc2)cnn1-c1cccc(C#N)c1 815619618 SKPPRGWGRJMFJU-SFHVURJKSA-N 429.524 5.216 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)/C=C\c1ccc2ccc(Cl)cc2n1 915055191 BCJNUEPTPSXZEY-FLIBITNWSA-N 440.890 5.908 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 915353988 SKVCMZMUSWIHBG-XMMPIXPASA-N 449.476 6.557 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2nn(-c3ccccc3)c3c2CCC3)cc1 916680505 ILYMEXKTLDABBK-VWLOTQADSA-N 447.542 5.338 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC 916882331 BOYQOTTWEGPKAW-INIZCTEOSA-N 435.307 5.142 30 20 IKED C[C@H]1CCc2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc2C1 916904399 BWSYBWSFHZHIQL-QFBILLFUSA-N 430.529 5.626 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C=C/c1ccccc1OC(F)(F)F 916911093 ZENKBQRINMAFHH-HHNLSAEISA-N 430.426 5.071 30 20 IKED N#C[C@H](C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1ccc(F)c(Cl)c1 916936504 MZXXBVBYUJQRLP-WZIBOORMSA-N 445.199 5.512 30 20 IKED N#C[C@@H](C(=O)/C=C\c1ccc(Br)o1)c1nc2cc(C(F)(F)F)ccc2s1 917044834 VITPUBJMEODOCL-MORRKMRCSA-N 441.228 5.560 30 20 IKED CCOc1ccc(-c2nnc(S)n2N=Cc2csc(-c3ccc(Cl)cc3)n2)cc1 917589812 RHFGEKHCXKBFBN-UHFFFAOYSA-N 441.969 5.292 30 20 IKED CSc1cc(C2=NNC(=Nc3ccc(Cl)c(Cl)c3)SC2)ccc1NC(C)=O 917626640 UXLJWLNZPARAMI-UHFFFAOYSA-N 439.393 5.402 30 20 IKED COc1cccc2c1OC/C(=C\c1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)C2=O 920066554 SQHBBQDQWFPPAM-GXDHUFHOSA-N 440.908 5.148 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2nc(-c3cccs3)oc2C)cc1C 920891700 CJGIOCXUISTQHB-UHFFFAOYSA-N 446.532 5.463 30 20 IKED CCOC(=O)c1ccc(NC(=S)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 920993722 DFGOQBNZFPQZKE-UHFFFAOYSA-N 447.535 5.273 30 20 IKED CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)Nc2ccc(CC#N)cc2)cc1 921249456 VDSHXXPNFABFFO-UHFFFAOYSA-N 441.491 5.030 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1csc(-c2ccc(Cl)cc2)n1 927535559 BZOPVJVODPULQP-AWEZNQCLSA-N 446.981 5.285 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cc4ccccc4o3)CCC2)cc1 1785935224 PADIEUOBKLIMOH-OUKQBFOZSA-N 427.504 5.130 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c(C4CC4)c3F)cc2)CCC1 1787167219 PCRYKSGPPGDYCP-UHFFFAOYSA-N 438.547 5.166 30 20 IKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3ccccc3Oc3ccccc3)CCC2)cc1 1787647649 UAANOWWFCZNBKD-UHFFFAOYSA-N 425.488 5.140 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4c[nH]nc34)CCC2)cc1 1789451637 PSHGBFYFKZIVAC-NRFANRHFSA-N 428.536 5.079 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3cccc(OC)c3)CCC2)cc1 1791587385 QZRHSNOKYBJEAI-UHFFFAOYSA-N 441.531 5.081 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(=O)CCC)c(C)c3)CCC2)cc1 1791588482 SWAMOVZMQCQFFX-UHFFFAOYSA-N 433.552 5.057 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)cc(OC)c3)cc2)CCC1 1792148736 BSRRNIIAJHJWGW-UHFFFAOYSA-N 444.984 5.016 30 20 IKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2c1oc1ccccc12 1801202585 WPASXDTYNAUPRJ-WKCHPHFGSA-N 442.559 5.606 30 20 IKED C=CCSCC(=O)NC[C@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1 1804177635 ZKRNCLAOUZKZGT-ZJSXRUAMSA-N 445.673 5.003 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@H](C)Sc3cccs3)CC2)C1 1804862278 QSAZXUSGKYWKSP-IBGZPJMESA-N 448.698 5.452 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(F)cc(Cl)c3)CC2)C1 1805459313 KYYULNOURYWOSZ-UHFFFAOYSA-N 432.967 5.092 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2csc(C)c2C)[C@H]1c1cccnc1 1806045545 AQOHLPOAIKPVIW-IFMALSPDSA-N 439.625 5.072 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2)[nH]n1 1819307107 ALRMNGZRXHNCJY-QUCCMNQESA-N 426.948 5.137 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc(Cl)c2)CC1 1832627914 MCJYLZUDXPPEKO-PKTZIBPZSA-N 446.994 5.481 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)cc2C)CC1 1832725591 PEHWHLMBVHJIIZ-DEOSSOPVSA-N 426.576 5.136 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cccc(Cl)c2)cc1 10830909 WPLFYQGBPGRXTB-UHFFFAOYSA-O 431.915 5.519 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2cccc3ccccc23)cc1 11126731 KYDZXKSEHZYESX-UHFFFAOYSA-O 442.608 5.696 30 20 IKED C=CCn1c(C)nnc1S[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 22006557 DBTDDLJWLSNKED-SFHVURJKSA-N 433.364 5.551 30 20 IKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 22112921 ZLCQAQHKKJYUSH-LMKMVOKYSA-N 449.938 5.155 30 20 IKED COc1ccccc1-n1c(-c2ccccc2)cnc1SCC(=O)Nc1sccc1C#N 22166568 GBJNOBPKTNIGDS-UHFFFAOYSA-N 446.557 5.212 30 20 IKED Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)s2)c1 23356408 PGVUYPHMGXGSBB-LBPRGKRZSA-N 441.607 5.131 30 20 IKED C=CCNC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 29811626 HSAAEBBCXRGSFM-LBPRGKRZSA-N 440.853 5.105 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)ccc1Br 32040391 RAAYDUVTSBNGGZ-HTQZYQBOSA-N 436.165 5.228 30 20 IKED Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)n1 60330898 HJTLDSHICMOKBQ-KRWDZBQOSA-N 434.590 5.377 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 63392564 HGBRQPZFTICYBF-UHFFFAOYSA-N 444.491 5.092 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1-c1ccc(F)cc1 64714866 FWFBXRRTUHBLGJ-HNNXBMFYSA-N 438.434 5.212 30 20 IKED CC(C)CC(=O)Nc1cccc(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1 64751928 XLYQFHLZCYLZMQ-UHFFFAOYSA-N 441.531 5.052 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1Cc2ccccc2-c2ccccc2C1 303377626 LSRLWLSXZYIZHB-LJQANCHMSA-N 427.573 5.560 30 20 IKED Cc1cc(F)ccc1C1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 428731054 XOVBZMIDSWRMOY-GOSISDBHSA-N 425.573 5.347 30 20 IKED CCCc1c(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cnn1-c1ccc(F)cc1 429606676 BWGXMQXWWMHDNY-JTHBVZDNSA-N 431.515 5.268 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 429699736 POQBLBOTHDYLRJ-UHFFFAOYSA-N 425.895 5.038 30 20 IKED N#CCCC[C@H](NC(=O)NCC1(c2ccc(Cl)cc2)CCOCC1)c1ccccc1 431895666 FTGLIZDNUNTQPE-QFIPXVFZSA-N 425.960 5.123 30 20 IKED CC1(C)CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)[C@H]1c1cccnc1 432853398 OTLSCXJVEBHPBT-QHCPKHFHSA-N 446.938 5.801 30 20 IKED CCn1nccc1C1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 433243543 HUPSBARTCMOHDU-QFIPXVFZSA-N 447.970 5.623 30 20 IKED C=CCC[C@@H](NC(=O)N1C[C@@H](CC(=O)N(C)C)c2cc(Cl)ccc21)c1ccccc1 435757506 ANNZRAVEEJWKKF-WIYYLYMNSA-N 425.960 5.139 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@@H](CSc4ccccc4)C3)s2)cc1 437539499 RZJKTZQWOSGYNG-LJQANCHMSA-N 434.590 5.252 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H](Cc2ccccc2)C1 437979398 OVQCMZJNDRFEQW-QHCPKHFHSA-N 425.532 5.542 30 20 IKED N#Cc1ccc(NC(=O)C(=O)Nc2cccc(COC3CCCCC3)c2)cc1C(F)(F)F 438742442 CJJLAYLNZIVVNJ-UHFFFAOYSA-N 445.441 5.004 30 20 IKED CCCc1c(NC(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)cnn1-c1cccc(C#N)c1 439678042 LWGMHUUCJLZGET-QGZVFWFLSA-N 440.507 5.234 30 20 IKED Cc1cc(C#N)ccc1C(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F 439848546 JCUQSCNMJCUQJT-UHFFFAOYSA-N 441.384 5.529 30 20 IKED CCOc1ccc(Oc2cc(CNC(=O)N[C@@H](CCC#N)c3ccccc3)ccn2)cc1 440090685 VQKVUKAKOQLNCF-QHCPKHFHSA-N 430.508 5.117 30 20 IKED Cc1ccc([C@H]2CCCCCN2C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)o1 440970800 UTUCWKIKCUIMAV-IEBWSBKVSA-N 425.554 5.065 30 20 IKED C[C@@H](Cc1ccc(Cl)cc1)N(C[C@@H](C)O)C(=O)Nc1ccccc1S[C@H](C)CC#N 441624902 LCMRCEIMDQLHTM-RCCFBDPRSA-N 446.016 5.580 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccc(CN2CCCC2=O)cc1)c1ccc(C(F)(F)F)cc1 442217422 JABVMIJQAFMKKJ-OAQYLSRUSA-N 445.485 5.657 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)Nc1cccc2ccsc12 442226230 YZRNNAXCHGZANI-UHFFFAOYSA-N 449.479 5.503 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(OC(F)(F)F)cc2O)cc1 442926473 PSPOBJHFSRRZAZ-UHFFFAOYSA-N 444.434 5.707 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F 446352245 RLXJDLPVWGTKRF-GOSISDBHSA-N 425.813 5.352 30 20 IKED CCCC(C#N)(CCC)NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 446735180 NTMWLMOKWDRDFS-OAQYLSRUSA-N 425.960 5.180 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(F)(c3ccccc3)CC2)cc1C 447613637 DHULZMGSGMYZBM-UHFFFAOYSA-N 430.527 5.182 30 20 IKED N#C[C@@H](C(=O)c1ccc2cc(Br)ccc2c1)c1nc2ccccc2n1C(F)F 448326995 FUHDAOCKPPNPDP-INIZCTEOSA-N 440.247 5.837 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 460791240 GQLSTHRUQGOPQZ-IBGZPJMESA-N 434.506 5.130 30 20 IKED C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H]1c1ccc(Br)c(C)c1 460958286 KDZYWTKVUUBKEX-RTBURBONSA-N 431.378 5.118 30 20 IKED N#Cc1cnc2ccc(Cl)cc2c1N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 462843024 USUVCKFIGLLAHC-UHFFFAOYSA-N 443.309 5.407 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 463524105 BJQZBUKFBGGOEP-UHFFFAOYSA-N 440.478 5.465 30 20 IKED CC[C@H](C)N(C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)c1ccc(C(N)=O)cc1 463608350 VYIABJPBNASFJW-SFHVURJKSA-N 427.504 5.203 30 20 IKED O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1c(F)cc(C(F)(F)F)cc1F 463816528 TZLIFBONVRROBW-UHFFFAOYSA-N 433.682 5.830 30 20 IKED Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)[C@@H](C)c1cccc(C#N)c1 463967125 VJGFWTGVVNUOEP-SFHVURJKSA-N 440.522 6.346 30 20 IKED N#C[C@H](C(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1)c1cc(C(F)(F)F)ccn1 464400086 GNHOBOAQDMXINI-INIZCTEOSA-N 438.434 5.505 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)c12 464413091 BDISYRQDHGWHJT-AWEZNQCLSA-N 440.381 5.339 30 20 IKED N#Cc1cc(NC(=O)Nc2ccccc2CCC(F)(F)F)ccc1OCC(F)(F)F 465153735 HTAYUSMAIUZZMX-UHFFFAOYSA-N 431.336 5.638 30 20 IKED C[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc2c(c1)CCCC2 470539163 VQJFULGBQUJSFP-GOSISDBHSA-N 430.552 5.031 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3c[nH]cc3-c3ccc(Cl)s3)ccc21 470847962 IZQDLYYDASFCHK-UHFFFAOYSA-N 438.940 5.232 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1 471283585 TTXNOSFTODNJAK-UHFFFAOYSA-N 434.561 5.271 30 20 IKED Cc1nc2cc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)ccc2n1Cc1ccsc1 472492020 BFJDLZYYZUKCAI-QGZVFWFLSA-N 440.450 5.358 30 20 IKED CC(C)c1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)CCC2 476613831 TYYNILMLEBGRHS-UWJYYQICSA-N 435.593 5.337 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 478886204 NOMAOCHCGREUJS-VXGBXAGGSA-N 437.311 5.650 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1SCc1csc(-c2ccccc2F)n1 479644592 YMFRNGHJRJJAJS-UHFFFAOYSA-N 443.617 5.047 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3ccc4c(c3)OCO4)cc2)cc1 480381951 XLBHRHVNTOZTDF-QFIPXVFZSA-N 427.460 5.448 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3C[C@H](c4ccccc4)[C@@H]4CCC[C@H]43)ccc21 482276468 ZRHZDPLKPJWXNL-JBRSBNLGSA-N 442.563 5.070 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)cc1 483694264 QUWCQWLGNKZIBT-HXUWFJFHSA-N 447.457 5.801 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N(CCC(F)(F)F)Cc2ccccc2)n1 484351046 NRNJGVTWMCEFAB-UHFFFAOYSA-N 447.848 5.384 30 20 IKED Cc1nc(CNC(=O)Nc2ccc(C#N)c(Br)c2)oc1-c1ccc(Cl)cc1 487842103 SHSPYXCBEPVOAO-UHFFFAOYSA-N 445.704 5.259 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2F)C(C)C)nnc1-c1cccc(OC)c1 488876071 LQFLIOSTTPEYAB-HXUWFJFHSA-N 440.544 5.034 30 20 IKED C=C(C)Cn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccncc1 489433514 UPIIUASNBVOANI-ZDUSSCGKSA-N 448.379 5.342 30 20 IKED Cc1ccccc1[C@H](C(C)C)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 490641337 PIXOGWQVXUJASA-MHZLTWQESA-N 441.575 6.501 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc2nnc(C3CCC3)n2c1 494000503 RTWJTCXAKVIZFT-UHFFFAOYSA-N 425.517 5.272 30 20 IKED C=CCN(CCc1ccco1)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 496634113 WEWAPUUCDPOEOK-UHFFFAOYSA-N 428.488 5.078 30 20 IKED C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 501510116 KWUAMJGELPPAQI-KRWDZBQOSA-N 432.520 5.381 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC(COc3ccccc3)CC2)c1 501605128 SNJMKQQFOILYLN-UHFFFAOYSA-N 426.516 5.068 30 20 IKED C=CCn1c(SCC(=O)N(C(C)C)C(C)C)nnc1-c1ccc(Cl)cc1Cl 502578018 GZQOMXQIYXLMIZ-UHFFFAOYSA-N 427.401 5.175 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1N1CCCC1 502661035 HFOKJRUXJGUIIF-UHFFFAOYSA-N 432.337 5.409 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N(Cc3cccnc3)C3CC3)cc2Cl)c1 503371423 KLHMVYZZOVUJNW-UHFFFAOYSA-N 432.911 5.382 30 20 IKED COc1ccc2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c2c1 504548982 YYWRKARMFXANHQ-KRWDZBQOSA-N 432.430 5.356 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F 506679083 BUHPGFNAEBPARE-APPDUMDISA-N 429.414 5.642 30 20 IKED O=C(Nc1cccc(F)c1)C1CCN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 508359066 NDJJKIWQIXDPFD-UHFFFAOYSA-N 441.506 5.108 30 20 IKED C=CCN(C(=O)c1sc(-c2ccc(OCC)cc2)nc1C)c1nc2c(s1)CCCC2 510138689 GBPHNPSRPPECPM-UHFFFAOYSA-N 439.606 5.685 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@@H]3c3cccs3)s2)cc1 510226558 ZBBFBLPRHFNVHE-OAHLLOKOSA-N 427.580 5.133 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 510858363 BFQJNJKXETXWDJ-UHFFFAOYSA-N 426.929 5.364 30 20 IKED COc1ccc(-c2nc3c(s2)[C@H](NC(=O)C2(c4cc(F)cc(C#N)c4)CC2)CCC3)cc1 511748151 IRDQPVLDLCYUMC-OAQYLSRUSA-N 447.535 5.055 30 20 IKED N#C[C@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1ccc(C(F)(F)F)cn1 513144856 WUSXUYIMHDAMDM-IBGZPJMESA-N 433.389 5.912 30 20 IKED COc1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c(Br)c1 513262184 MHXAFAGCFSUHCS-UHFFFAOYSA-N 437.293 5.161 30 20 IKED Cc1ccc2nc(CSCC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)cn2c1 513735435 NRMVDLGFLGPCRM-UHFFFAOYSA-N 428.517 5.179 30 20 IKED Cc1nc(-c2ncccn2)sc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 515703290 NXWZXGKDWBBOAX-GOSISDBHSA-N 445.935 5.470 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ccccc1S[C@H](C)CC#N 518739004 JSWXEEJYHZHFKB-CYBMUJFWSA-N 427.982 6.419 30 20 IKED CCCOc1c(Cl)cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OCC 518739152 PXKSZOCYZZURDX-HNNXBMFYSA-N 432.973 6.174 30 20 IKED O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 519848952 PJPXAFRUJQHSFW-LBPRGKRZSA-N 440.319 5.091 30 20 IKED C[C@H](SCC(=O)Nc1ccccc1SCC#N)c1ccc(OC(F)(F)F)cc1 519948541 KVIADOVHRQBORF-ZDUSSCGKSA-N 426.485 5.634 30 20 IKED COc1ccc(CN[C@H](c2ccccc2)c2ccc3ccccc3c2)cc1OCCCC#N 520248602 BGQIBUMFMRGVQN-GDLZYMKVSA-N 436.555 6.410 30 20 IKED CCCN(C(=O)C(=O)Nc1ccccc1SCCC#N)[C@@H](C)c1cc2ccccc2o1 520846984 RQEDMCFGUIQWSB-KRWDZBQOSA-N 435.549 5.377 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 521900910 DOPCPWNVKJUTKD-VWLOTQADSA-N 438.531 5.199 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](CC1CCCCC1)C(C)(C)C 522439539 XLOYDMYVDVCVIG-UWJYYQICSA-N 429.630 5.521 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 522456231 MMSKAKNICNXQSM-UHFFFAOYSA-N 437.902 5.952 30 20 IKED C=CCn1c(S[C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)nc2sccc2c1=O 525046569 FGHYOYJTHIWRBN-GFCCVEGCSA-N 444.969 5.125 30 20 IKED Cc1noc(-c2ccc(C)c(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)c2)n1 530885186 CUZQZXORPPMNQI-UHFFFAOYSA-N 426.501 5.629 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCCN(C)c2ccc(Cl)cc21 533388789 BCZRZEKPSWDEFT-MRXNPFEDSA-N 428.989 5.019 30 20 IKED C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@H](CC(F)(F)F)c1ccc(F)cc1 536854555 VKPZXUCEGNVBBR-SJKOYZFVSA-N 436.371 5.845 30 20 IKED COCCOc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccn1 538579685 WOMSKSIGFAGFIS-OAHLLOKOSA-N 448.331 5.027 30 20 IKED N#Cc1ccc(CN2CCC(NCCc3csc(-c4ccc(Cl)cc4)n3)CC2)cc1 540608273 HVDVXULYTTZTBB-UHFFFAOYSA-N 437.012 5.132 30 20 IKED Cc1ccc(-c2cc(C(=O)N(C)C3(C#N)CCC3)c3sc(N4CCCCC4)nc3n2)cc1 541036833 XLBVTPFSACBPPD-UHFFFAOYSA-N 445.592 5.175 30 20 IKED C[C@H](NC(=O)c1cc(NC(=O)N(C)C)ccc1Cl)c1ccc(-c2cccc(C#N)c2)cc1 542930462 MORNSORCEKSWGO-INIZCTEOSA-N 446.938 5.463 30 20 IKED COc1cccc(COc2cccc(NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)c2C)c1 543316125 IXIHSQSBEIQMMN-UHFFFAOYSA-N 441.531 5.651 30 20 IKED Cc1cc(C)cc([C@@H]2CCN(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)C2)c1 544221280 JLOWNPADPWANES-LJQANCHMSA-N 449.605 5.340 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2CSC)nnc1-c1ccc(Cl)cc1 546059854 UEEYLZVGQZRDTC-UHFFFAOYSA-N 445.013 5.378 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@H](c2ccccc2)c2cccc3ccccc23)CC1 548831798 FYXYBTSMLWSSCY-HHHXNRCGSA-N 446.554 5.591 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C 548955387 FJGMPQAQRMJPFE-XXBNENTESA-N 436.625 5.361 30 20 IKED O=C(Nc1ncc(C(F)(F)F)s1)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 548995881 RKDKFTSCYIHURW-SECBINFHSA-N 435.296 5.188 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC([C@H](F)c4ccccc4F)CC3)o2)cc1 552612145 LLTYJGGHTMEAIO-DEOSSOPVSA-N 436.458 5.432 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CC=C(c4ccc(Cl)cc4)CC3)cc2)ccn1 555007894 LCFIMHBBLWUEAU-UHFFFAOYSA-N 430.895 5.720 30 20 IKED Cc1nn(C)c(C)c1[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(F)(F)F 556564396 CTBBPXQUBGOISH-FQEVSTJZSA-N 443.429 5.126 30 20 IKED Cc1cc(C(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)nn1-c1cccc(C#N)c1 557076108 KMPQVNKFJLISBX-LJQANCHMSA-N 438.453 5.091 30 20 IKED COc1cc(N(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc(OC)c1OC 562441987 SEOSNIGHRGIJSI-UHFFFAOYSA-N 433.464 5.045 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(O[C@H]3CCOC3)cc2)cc1Cl 564630010 DUQDJJSUNJKQSC-GMAHTHKFSA-N 432.907 5.415 30 20 IKED CC1(c2nc(Cc3nccc4ccccc34)no2)CCN(c2ccc(Cl)cc2C#N)CC1 565329959 KJFBPIBXASUTDN-UHFFFAOYSA-N 443.938 5.292 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(Cl)c(C)cc2Br)cc1 565897958 LQRUWSJUZQPVRE-UHFFFAOYSA-N 447.760 5.477 30 20 IKED C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 567523213 QLCYCRLFEOJEEX-PBNKOMEISA-N 448.514 5.085 30 20 IKED COc1ccccc1Oc1ccc(NC(=O)N(C)CCOCc2ccc(C#N)cc2)cc1F 572917377 JPZITGLWNJRMKO-UHFFFAOYSA-N 449.482 5.179 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CSc1nc(C)nc2sc(C)c(C)c12 582173165 OIVLKPMNYLKZIZ-UHFFFAOYSA-N 443.642 5.091 30 20 IKED COc1ccccc1[C@H]1CCCCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 589363540 UQIKPFXQUGPBHU-HSZRJFAPSA-N 428.492 5.513 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)c1nc2ccccc2n1C(F)F 606762731 DHTCSQHOJAQZGF-GFCCVEGCSA-N 439.384 5.506 30 20 IKED CCCOc1ccc([C@@H](C)NC(=O)c2occc2COc2cccc(C#N)c2)cc1OC 608804710 WXKXDGFACGWBLQ-QGZVFWFLSA-N 434.492 5.019 30 20 IKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(C(F)(F)F)c1 608904588 HAXIOEWVCQZWKQ-QGZVFWFLSA-N 437.849 5.073 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(C2CC2)nc2onc(C)c12 609060854 FZSDDHMKWJEZES-UHFFFAOYSA-N 438.487 5.420 30 20 IKED Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c2cnn(C(C)C)c2n1 609064924 OWMSBLAGQHIGHY-UHFFFAOYSA-N 425.492 5.024 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(NC(=O)C4CCCCC4)CC3)c2)cc1 609209644 GFDAUTQIQLPNIF-UHFFFAOYSA-N 446.551 5.043 30 20 IKED C[C@@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccccc1C(F)(F)F 609222063 PYUFBEMPPHGSLS-OAHLLOKOSA-N 425.410 5.808 30 20 IKED N#Cc1ccc(CNC(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)c(F)c1 609252722 YXQWMOJCWUGCHH-UHFFFAOYSA-N 434.418 5.085 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCCO[C@H](c2ccccc2)C1 609254204 JTUYJLCUSJIXRZ-SANMLTNESA-N 441.531 5.441 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1c1cccc(Br)c1 609435122 QSLNVBCJKJYDDI-KXBFYZLASA-N 444.398 6.212 30 20 IKED COc1cc(CSc2nnc(OC(C)C)s2)ccc1OCc1cccc(C#N)c1 609722021 VWOXWCNGVHBQFV-UHFFFAOYSA-N 427.551 5.077 30 20 IKED CCO[C@H](C)c1nc(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cs1 609754930 PKKFIOCWYGQYSL-OAHLLOKOSA-N 439.512 5.012 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cccc(OCc3cccs3)c2)c1C 610053895 VXRILZYAMZLABE-UHFFFAOYSA-N 428.517 5.254 30 20 IKED CC(C)N(Cc1ccc(NC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1)C[C@@H]1CCCCO1 611622690 KBGFRNCUGFAXHK-CPJSRVTESA-N 434.584 5.220 30 20 IKED C[C@]1(C#N)CCCN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 612365837 AIPDMQZPLQDLIW-KNGFOPAESA-N 446.532 5.287 30 20 IKED N#Cc1cc(F)c(C(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)c(F)c1 612504904 CFTNSXBMHOXEPT-CQSZACIVSA-N 433.174 5.022 30 20 IKED N#C[C@H](C(=O)c1ccccc1SCc1cn2ccccc2n1)c1ccc2ccccc2n1 613292813 YDWVKJWOXXDZEC-NRFANRHFSA-N 434.524 5.665 30 20 IKED CSc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1NC(C)=O 613319809 PKWZOMQXAWKBMG-INIZCTEOSA-N 441.965 5.634 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)CSc1ncnc2scc(-c3ccccc3)c12 618785940 NUADUHGWGIGXGE-FQEVSTJZSA-N 442.569 5.126 30 20 IKED N#Cc1ccc(CNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1Cl 619765485 NDRAYPFICTUBOE-UHFFFAOYSA-N 430.316 5.109 30 20 IKED O=C(Nc1nc(C(F)(F)F)cs1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642450219 UCZATIFBSWJHFS-WDSKDSINSA-N 429.308 5.193 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1csc(C2CCCCC2)n1 643092495 UDFLGXXVFKKXTP-UHFFFAOYSA-N 444.601 5.979 30 20 IKED CC[C@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccccc1OC(F)F 674428579 ZKURGXPFPCGNCV-TUAOUCFPSA-N 434.327 5.121 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1 727589167 LPPSCWUBCZTYTF-URXFXBBRSA-N 433.458 5.226 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1SC(F)(F)F 727997077 SQYBDRWXTLRGRM-UHFFFAOYSA-N 442.462 6.310 30 20 IKED COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1C 728062682 NQPDKZREDWMPBC-WOJBJXKFSA-N 443.547 5.132 30 20 IKED COc1ccc2nc(C)c(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)cc2c1 729370220 RLUWSQYZGYEGIG-AREMUKBSSA-N 437.499 5.126 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 731332549 OEQTWVKIHFEACJ-SBUREZEXSA-N 442.540 5.787 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2csc(-c3ccc(Cl)cc3)n2)ccc1OC 733231033 XWWHVBHCIPDUCZ-QGZVFWFLSA-N 441.940 5.083 30 20 IKED COc1cccc(N2CCC[C@H](NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)C2)c1 735365487 BITFWXYPIBPZDK-OZXSUGGESA-N 440.547 5.141 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2nc(-c3ccccc3)n[nH]2)cc1Cl 735567709 UKFJVDIDZQLZMC-FQEVSTJZSA-N 442.910 5.102 30 20 IKED O=C1/C(=C/c2csc(Br)c2)COC/C1=C\c1csc(Br)c1 741448351 VXMMVWYETPFOFV-NJDSBKIZSA-N 446.185 5.401 30 20 IKED COc1cc(C=NO[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)ccc1OC(C)C 744442236 AGQIGOABPVYJEH-CQSZACIVSA-N 449.429 5.663 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)CCSc2ccnc3cc(Cl)ccc23)c1 751275613 MOTXOMJNMYSBPJ-GOSISDBHSA-N 439.968 5.368 30 20 IKED O=C1/C(=C/c2cc(F)c(O)c(F)c2)CC2(CCOCC2)C/C1=C\c1cc(F)c(O)c(F)c1 751517627 MYTXALPLJQKJDP-IAGONARPSA-N 448.412 5.281 30 20 IKED Cn1cc(NC(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(F)(F)F)n1 752818801 SMAJLLVSHPSYPV-IHWYPQMZSA-N 431.258 5.128 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/COc3c(cccc3C(C)C)C2=O)cs1 753901097 WDGNNCJBYRMTDL-PDGQHHTCSA-N 432.545 5.918 30 20 IKED CC(C)(C)O[C@@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1 754532280 SNLGYGJQAYJLAF-HNAYVOBHSA-N 432.467 6.048 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(Cl)nc2)ccc1OCC(=O)N(C(C)C)C(C)C 759084089 WUPRLDAXKPTMHX-JXMROGBWSA-N 444.959 5.054 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 761703908 YZAAOLHWEJTTNH-NTKDMRAZSA-N 426.516 5.018 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(Br)c(Cl)c1 763479775 UXNLKJONESAUSQ-OAHLLOKOSA-N 427.685 5.217 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(O)c(Cl)c2)cs1)c1ccc(F)cc1F 768752929 RMPUHFSRAYYWTQ-DAXSKMNVSA-N 434.851 5.361 30 20 IKED CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1sc2cc(C(C)C)ccc2c1Cl 772277476 PADUAWQLPLCHOH-UHFFFAOYSA-N 444.944 5.217 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cnc(Cc3ccccc3F)s2)cc1 773980757 VBFFMBMVHQWJTC-LJQANCHMSA-N 435.524 5.177 30 20 IKED N#CCCCn1cc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc21 774054174 QWJKOTAZFZGIMF-GOSISDBHSA-N 439.302 5.213 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)n1 776527832 KOGIZYPATXKLMG-STXHMFSFSA-N 447.963 5.233 30 20 IKED CCOc1cc(Br)c(NC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1OCC 780522107 YRYLYCYAFKKJEM-ZDUSSCGKSA-N 448.317 5.181 30 20 IKED N#CCOc1ccc(Cl)cc1COC(=O)c1cc(-c2cccnc2)nc2ccccc12 785420529 NCTJFKRNHRDMMK-UHFFFAOYSA-N 429.863 5.210 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)Cc1c[nH]c2ccc(Cl)cc12)c1ccc(Cl)cc1Cl 787050025 NSKZZFHHIUIRJV-APPDUMDISA-N 448.737 5.257 30 20 IKED Cc1cc([C@@H](CC(=O)O[C@H](C)c2cccc(C#N)c2)NC(=O)OC(C)(C)C)cc(Cl)n1 788353830 LQFNUVZIWLXJAI-DNVCBOLYSA-N 443.931 5.175 30 20 IKED Cc1ccccc1COc1ccc(C(=O)/C=C/c2cn(CCC#N)nc2-c2ccncc2)cc1 788356362 STYKCHXAEJWOEK-FMIVXFBMSA-N 448.526 5.642 30 20 IKED C#C[C@@H](CCC)N1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccsc1 790747851 HCDPQNMWOOAGHL-ICSRJNTNSA-N 439.606 5.127 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1 792329348 ALHNCZTWXDZCTM-UHFFFAOYSA-N 427.785 5.211 30 20 IKED Cc1nc(SC(F)F)sc1CC(=O)NCc1ccc(-c2ccccc2C#N)cc1 793772574 IHIYXFZDZBMJBB-UHFFFAOYSA-N 429.517 5.164 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)c(F)c1 795206509 XDCSUVLAUFKBPI-DEOSSOPVSA-N 438.506 5.208 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)C1CC(c2ccc(F)cc2)C1 796745677 MESPASCGANSBTR-AJTFCVKESA-N 428.463 5.459 30 20 IKED Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)O[C@@H](C)C(=O)Nc1ccccc1C#N 797501800 HINDYSORFDWXFF-LBPRGKRZSA-N 444.274 5.013 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 798065283 QGULTUFYTAZFBH-IHPCNDPISA-N 431.458 5.132 30 20 IKED Cc1cc(C(=O)COC(=O)c2cc(F)c(C(F)(F)F)cc2F)c(C)n1CC(F)(F)F 805596446 OWSGQJXPLGNUGO-UHFFFAOYSA-N 443.290 5.004 30 20 IKED N#Cc1c(C2CC2)n[nH]c1NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 807699939 YNOILBASQNXCJN-UHFFFAOYSA-N 431.546 5.313 30 20 IKED C#C[C@@H](NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)c1ccc(Cl)cc1 811962933 CWCUJJGREPASCL-DZGCQCFKSA-N 427.879 5.079 30 20 IKED COc1cc(/C=C2\CCOc3cc(Br)ccc3C2=O)ccc1OC(F)F 818470789 XINDZUOGALAIJN-XYOKQWHBSA-N 425.225 5.108 30 20 IKED CNC(=O)C[C@H]1SC(=Nc2ccc(C(C)C)cc2)N([C@@H](c2ccccc2)C2CC2)C1=O 914542667 HKDBBYDAOKDZQR-GGAORHGYSA-N 435.593 5.029 30 20 IKED CCN(Cc1ccc(OC)c(OC)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915352391 HHCRVSJIBOJDIE-HSZRJFAPSA-N 429.520 5.413 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccc2ccccc2n1 916848995 MKQVEWBOTYQYNS-LJQANCHMSA-N 433.389 5.931 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 916898500 BZGFNCDFIQBVJW-SFHVURJKSA-N 449.938 5.368 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 916906485 UFZBOBQCBMUNRK-JOCHJYFZSA-N 449.510 5.800 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)Nc1cccc2ccccc12 916916130 OHHZMCGCTJKTJJ-IBGZPJMESA-N 445.931 5.507 30 20 IKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cnn1-c1ccc(Cl)cc1 916928970 ZIHUIDAOKFOSDE-OAHLLOKOSA-N 447.709 5.102 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)n(C3CCCCC3)c2C)cc1Cl 916939478 HUCLNYREEAAKPT-IBGZPJMESA-N 427.932 5.233 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)cc1Cl 916940021 KAOZSHVTIQJGPH-KKSFZXQISA-N 449.938 5.337 30 20 IKED N#C[C@@H](C(=O)C1CCN(C(=O)OCc2ccccc2)CC1)c1nc(-c2ccccc2)cs1 917026562 HUQPNLPJNGVAHN-NRFANRHFSA-N 445.544 5.035 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(C)Cc2cc(Cl)cc(Cl)c2)c1=S 917477364 KHNGSVGXKOGYOI-UHFFFAOYSA-N 449.407 5.672 30 20 IKED C=CCc1cc(C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)cc(OC)c1OC 917805714 CBUHMPZJCUQDQU-UHFFFAOYSA-N 436.552 5.089 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3sccc3OCC)cc2)CCC1 1785773700 QCXCTBXAUYCWCN-UHFFFAOYSA-N 434.508 5.106 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CSc3ccncc3)cc2)CCC1 1786768307 PVHVLPPTCXXHDU-UHFFFAOYSA-N 437.609 5.300 30 20 IKED C[C@H]1CCC[C@@H]1C(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788650505 DLTVRQUVVBFPTR-VZIBSNAFSA-N 436.577 5.057 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(F)ccc3Cl)cc2)CCC1 1790669673 GIGNWHNPGFUPEV-OAHLLOKOSA-N 445.922 5.028 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3OCCc4ccccc43)CCC2)cc1 1791244440 SXOCXUMRXXORMB-CYFREDJKSA-N 432.564 5.037 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(N(C)C)c4ccccc34)CCC2)cc1 1791587871 RJVLEHOWBJGYCP-UHFFFAOYSA-N 427.548 5.230 30 20 IKED Cc1ccc2nc(C(=O)NC3(c4ccc(NC(=O)C5(C#N)CCC5)cc4)CCC3)sc2c1 1792229669 OSGWRALCNXOLHV-UHFFFAOYSA-N 444.560 5.046 30 20 IKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)C4(c5ccc(C)cc5)CCCCC4)CC3)C2)C1 1804788101 HGCURAWGCHQYFF-UHFFFAOYSA-N 448.651 5.394 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)CCCCC)[C@@H]1c1cccnc1 1812695155 FLOQXBAJLIPLHB-RBVMOCNTSA-N 425.617 5.072 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ncsc23)[nH]n1 1814829631 VLXOYMBIVHEJOO-FQEVSTJZSA-N 449.580 5.094 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3sccc3[nH]2)n[nH]1 1819188006 WVXMXMTXFGKNKE-IBGZPJMESA-N 437.569 5.027 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ncccc23)[nH]n1 1819305241 FRJRDCUNJNXUPV-FDDCHVKYSA-N 443.551 5.032 30 20 IKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 1824958725 CEULQRGMGYAICH-MSNJVRRCSA-N 446.701 5.132 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C\c2c[nH]c3ccccc23)CC1 1825095965 OUBTYDDJWZBJOL-VNPSARMJSA-N 433.596 5.013 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 1831861836 ZDZLQJLHDFGEDH-OAQYLSRUSA-N 449.422 5.221 30 20 IKED CC(C)(C)CCCCCC(=O)N1CC2(CCCN2C(=O)c2cccc(C#N)c2Cl)C1 1844736019 HQZGFSMSRSUSCM-UHFFFAOYSA-N 429.992 5.025 30 20 IKED CCc1ccccc1NC(=O)COC(=O)c1ccccc1SCc1ccc(C#N)cc1 9073476 SGEDZRQSEKELMG-UHFFFAOYSA-N 430.529 5.208 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccc(OC)cc2)C(C)C)nnc1-c1cccc(C)c1 10533096 RCBYDVUJGNLRAM-NRFANRHFSA-N 436.581 5.204 30 20 IKED C=CCn1c(C)cc(C(=O)COC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1C 12682464 WOOYHQDJHWYESO-UHFFFAOYSA-N 436.122 5.339 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)s1)[n+]1ccc(N(C)C)cc1 14871904 IMVTVGPDUUOHRU-UHFFFAOYSA-O 445.033 5.368 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nc2cc(Cl)ccc2c1=O 17674085 XVGDGCJRLBSBJF-NSHDSACASA-N 430.942 5.201 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)c2cccc3ccccc23)nnc1-c1ccc(F)cc1 18962105 NXWPGCCNDYIBRT-KRWDZBQOSA-N 446.551 5.393 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)c1ccc2c(c1)CCCC2 22519772 UEIMMOAKQXIVSV-UHFFFAOYSA-N 437.540 5.036 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2cc(C)ccc2C)cc1 22729833 NVHPDDMEXNWXLA-UHFFFAOYSA-O 437.654 6.273 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(C)c3ncccc23)nnc1-c1ccc(Cl)cc1 32459125 CWNGFSGYOJZMSP-UHFFFAOYSA-N 449.967 5.372 30 20 IKED C=CCn1c(SCc2csc(-c3ccc(OC)cc3)n2)nc2sccc2c1=O 36822291 FBSIMSVGMDIFDS-UHFFFAOYSA-N 427.576 5.068 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 63391720 DMLSQGHYTRVZQF-UHFFFAOYSA-N 443.353 5.018 30 20 IKED Cc1ccccc1-n1ncc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1C 64715264 VBKQRWSIUZUJSL-HNNXBMFYSA-N 434.471 5.381 30 20 IKED C=CCn1c(S[C@H](C)c2nc(C3CC3)no2)nc2scc(-c3cccs3)c2c1=O 71958655 AJSPHKWRQAHHCR-LLVKDONJSA-N 442.591 5.486 30 20 IKED CCCCOc1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(C)c1 108657939 IYLMAZLOGJRNJU-UHFFFAOYSA-N 448.523 5.149 30 20 IKED C=CCn1c(SCc2cc(=O)oc3cc4c(cc23)CCC4)nnc1-c1ccccc1F 195569274 ZTYGGLHIJRHATG-UHFFFAOYSA-N 433.508 5.158 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)c2)c1 195703020 HTOALDYDPFVIBI-UHFFFAOYSA-N 447.498 5.126 30 20 IKED C[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)c1cccc(NC(=O)Cc2ccccc2F)c1 301307610 VUHAKDAYZVEJEY-CQSZACIVSA-N 442.416 5.465 30 20 IKED Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)C2)cc1 303380900 VXWLFACPAUOOQF-JOCHJYFZSA-N 439.515 5.150 30 20 IKED CCN(CC)[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccccc1 303388960 NBGVWLXSZXFHMH-AREMUKBSSA-N 427.548 5.467 30 20 IKED C[C@@H](c1ccccc1)N1CCC(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 303686326 LMNKJXNZSRKYJX-NRFANRHFSA-N 439.559 5.093 30 20 IKED CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)nc1 431175731 ATKQSEVOHXPIPB-UHFFFAOYSA-N 446.510 5.145 30 20 IKED N#CC1(c2ccc(C(=O)Nc3ccc(Oc4ncc(Cl)cn4)c(Cl)c3)cc2)CC1 433959568 AQOJVASZCMLHHH-UHFFFAOYSA-N 425.275 5.383 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)Nc3ccccc3-c3ccccc3)c2)c1 437326337 QKIGJOQYZLNAAH-UHFFFAOYSA-N 447.494 5.381 30 20 IKED C[C@@H](O)CC(C)(C)CNC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 438526491 DRWZWDGRJHGFRZ-CQSZACIVSA-N 435.446 5.288 30 20 IKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)cc1 442102682 YHCSMRQFAADZIO-JXFKEZNVSA-N 444.000 5.576 30 20 IKED N#CCCCn1cc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c2ccccc21 444119269 ACDBEEJFZYCXQU-AREMUKBSSA-N 448.526 5.519 30 20 IKED Cc1ccc(C)c([C@@H]2CN(CC(=O)Nc3ccccc3S[C@H](C)CC#N)[C@H](C)CO2)c1 444206258 PWZQVJCEZKDSTB-VIZSFHNOSA-N 437.609 5.098 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)CCc2nc(C)c(-c3ccccc3)o2)c1C#N 445565625 UZTABIVSZTVJBC-UHFFFAOYSA-N 443.532 5.001 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn(C)c1Cc1ccccc1 446094891 MUWHHZPVJGCAHL-UHFFFAOYSA-N 436.515 5.022 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC2(CCOCC2)CC1 460553579 HZIAFRLHZLXAFJ-GOSISDBHSA-N 430.980 5.045 30 20 IKED Cc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)nn1C1CCCCC1 461081489 MJPPIQHLHBKYEN-UHFFFAOYSA-N 430.577 6.113 30 20 IKED N#Cc1cc(NC(=O)CSCc2ccccn2)ccc1Oc1ccc(C(F)(F)F)cc1 464276400 RKYLVOKUBNKAEZ-UHFFFAOYSA-N 443.450 5.636 30 20 IKED CSC1(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CCOCC1 466117359 HJOPQPPYIOZSGH-UHFFFAOYSA-N 431.945 5.038 30 20 IKED N#Cc1ccccc1-c1ccc(CS(=O)(=O)Cc2ccn(-c3ccc(Cl)cc3)n2)cc1 467039483 YYNVEOZUPXVFEO-UHFFFAOYSA-N 447.947 5.179 30 20 IKED CSc1cccc([C@H](NCc2nnc(-c3ccc(C#N)cc3)o2)c2cc(F)ccc2F)c1 471643420 IHDUUALRLYOLPR-QHCPKHFHSA-N 448.498 5.488 30 20 IKED C[C@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)[C@H](C)c1ccccc1 473547050 XSBOBVWTKFUNHU-OALUTQOASA-N 443.572 5.211 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@@H]1c1nc2ccccc2o1 474223542 RICZEJSPQPLGMI-FXAWDEMLSA-N 434.565 5.388 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H](Nc3ccccc3)C2)cc1 478644147 GCMVWAMSBYFEBL-JOCHJYFZSA-N 442.519 5.468 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 480834325 YTDBNHCDSJMKTJ-BONVTDFDSA-N 439.375 5.115 30 20 IKED CC(C)n1ncc2c1C[C@H](NC(=O)c1cccc(Oc3ccc(Cl)cc3C#N)c1)CC2 481460415 CHUIRXZIDYWFTP-HXUWFJFHSA-N 434.927 5.069 30 20 IKED Cc1cc(Sc2ncccn2)ccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 483553737 QAMWAYIADOUQEF-UHFFFAOYSA-N 438.512 5.853 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)NCc1ccc(C#N)c(F)c1 483706137 BGGOFZRNEBBYQZ-LBPRGKRZSA-N 430.346 5.743 30 20 IKED COc1cc([C@@H](C)NC(=O)NC2(c3cccc(C#N)c3)CC2)ccc1OCc1ccccc1 484747350 ZUWGTTQFBMXVAK-LJQANCHMSA-N 441.531 5.195 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl 484793449 BKXPFNADPLJAEB-HSZRJFAPSA-N 442.918 5.442 30 20 IKED Cc1cccc(Oc2ccc(Cl)cc2NC(=O)CCc2c(C)nn(CCC#N)c2C)c1 486051705 LQHWTBNRDCJOHT-UHFFFAOYSA-N 436.943 5.739 30 20 IKED Cc1ccc2nc(COc3cccc(C(=O)N[C@@H](CCCC#N)c4ccccc4)c3)cn2c1 487511920 GHMZNGSWKZZMGQ-VWLOTQADSA-N 438.531 5.387 30 20 IKED C=CCn1c(SCC(=O)c2cc(C)n([C@H](C)COC)c2C)nnc1-c1ccccc1C 488914439 JTSUFRSZYGJGII-GOSISDBHSA-N 438.597 5.040 30 20 IKED COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)N2CCC(C#N)CC2)cc1 490032588 QLYKMYGEEWVFJT-FXBPSFAMSA-N 437.543 5.496 30 20 IKED O=C(Nc1cc(F)c(OC(F)F)cc1F)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 491357952 CFSATSPALZIPAR-NSHDSACASA-N 436.327 5.606 30 20 IKED CN(C)c1cc(Br)cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c1 496198187 SAPQEGRRPRXHEM-KRWDZBQOSA-N 426.339 5.129 30 20 IKED Cc1csc(N2CCC(C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)CC2)n1 501965665 ZEEAIAZNHXDAJU-INIZCTEOSA-N 442.654 5.391 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C)c(NC(C)=O)c1 502660102 ICNVMCVRNQXZAX-UHFFFAOYSA-N 434.309 5.075 30 20 IKED CC(C)(C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1csc(-c2cccs2)n1 503289718 UKDHUTMCBVYDNF-UHFFFAOYSA-N 437.590 5.091 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cc(F)cc2cccnc12 503847501 RWIFMWVSLAMTSS-UHFFFAOYSA-N 440.931 5.676 30 20 IKED N#CC1(c2ccccc2)CCC(NCc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 507659005 IROCVUIUOGXVHM-UHFFFAOYSA-N 433.559 5.428 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@H](c2ccccc2Cl)C1 509222430 CPHLZYXSEQDIBY-DEOSSOPVSA-N 447.922 5.918 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1 509300478 LBHUSUNFJZRDEG-KRWDZBQOSA-N 446.576 5.047 30 20 IKED CCN(C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@H](C)c1cc2ccccc2o1 510766449 PPRRFTGECVLKAD-CQSZACIVSA-N 431.414 5.861 30 20 IKED C=CCN(C(=O)CCc1nccs1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 512389880 UUTNDCLXJWUOQH-UHFFFAOYSA-N 431.586 6.085 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(-c4ccccc4Cl)on3)n2)cc1 512505201 XPWYBDORRLDOBB-MRXNPFEDSA-N 430.876 5.480 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(Br)ccc1Cl 514790774 FOVRAHBGZRLSDR-UHFFFAOYSA-N 442.700 5.722 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccccc2Br)cc1 518182628 DZDCNFVWTVEZTN-UHFFFAOYSA-N 437.362 5.543 30 20 IKED N#C[C@@H](NC(=O)c1ccc2nc(C(F)F)[nH]c2c1)c1ccc(OCc2ccccc2)cc1 518920285 PGLJVUVTONNCGX-OAQYLSRUSA-N 432.430 5.074 30 20 IKED C[C@H]1CCCN(Cc2ccccc2CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 521810453 PMTHPMYBKFETPG-PMACEKPBSA-N 436.625 5.634 30 20 IKED CCCNC(=O)c1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 522633264 JLZYCGNOVQJFNM-UHFFFAOYSA-N 433.895 5.396 30 20 IKED CC(C)(C)OCc1cccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)c1 523585861 GPLYRVBHROAKMD-UHFFFAOYSA-N 430.573 5.955 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 524234512 UMDXASQZMZZUNE-UHFFFAOYSA-N 432.427 5.159 30 20 IKED CC(C)c1ccc(CSc2nnc(S[C@@H](C(N)=O)c3ccc(C#N)cc3)s2)cc1 524528110 LCRYIOLXOOJUEM-GOSISDBHSA-N 440.619 5.144 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)s2)cc1 524572538 FGBRXVWLKUYBJX-MRXNPFEDSA-N 432.332 5.429 30 20 IKED Cc1ccc(C#N)cc1NC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 531309637 CTJHKKMMLCPBAV-UHFFFAOYSA-N 426.516 5.133 30 20 IKED CCN(CC)CC1CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 535588526 UIPHXRZNZMAHND-UHFFFAOYSA-N 425.960 5.198 30 20 IKED N#CC1(CCCSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)CCOCC1 539712049 FULQXQUWBMLFJK-UHFFFAOYSA-N 438.984 5.780 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)cc1F 540105193 AEIBPGJFXDLUGZ-YADARESESA-N 431.467 5.389 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1ccc(F)cc1F)C(C)(C)C 540425302 OBPSRWWYURVZHC-IVZQSRNASA-N 431.552 5.532 30 20 IKED O=C(CN[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)Nc1ccccc1OC(F)F 540520361 KPIDJVZYUFYBNK-OAHLLOKOSA-N 442.306 5.139 30 20 IKED Cc1ccc(-n2c(SCCCC3(C#N)CCOCC3)nc3ccccc3c2=O)cc1F 540811691 VZQMQUBKGCKVRZ-UHFFFAOYSA-N 437.540 5.026 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc(Sc2nncs2)cc1 540853849 IXIMIOFOWNFKSN-UHFFFAOYSA-N 430.514 5.606 30 20 IKED C[C@H](NC(=O)N[C@H](C)c1ccc([S@@](C)=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 542077120 CUGPQUVBJFRLGN-NQARNYTMSA-N 431.561 5.084 30 20 IKED C[C@H](NC(=O)N[C@H](c1ccccc1)c1ccccn1)c1ccc(-c2cccc(C#N)c2)cc1 543936399 SLTFGTFEJUOPEJ-CCLHPLFOSA-N 432.527 5.770 30 20 IKED C[C@@H](NC(=O)N1CCC(C(=O)OC(C)(C)C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 543944141 HTIOVLOJLOXYQI-GOSISDBHSA-N 433.552 5.050 30 20 IKED COc1ccc2oc([C@@H](C)NCC(=O)Nc3ccccc3SC[C@@H](C)C#N)c(C)c2c1 544482186 NEJYDNNRUMWKHA-DOTOQJQBSA-N 437.565 5.291 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)CC1 548839043 SAEFTBSYWHRMED-UHFFFAOYSA-N 435.886 5.364 30 20 IKED CSc1nc(O)c(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCCCC2)cc1C#N 549519212 XAUMQDHVCMHZIU-GOSISDBHSA-N 449.498 5.451 30 20 IKED C[C@H](NC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C#N)cc1 551218467 QPLLFWLZDOMPNM-LBPRGKRZSA-N 429.364 5.498 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)c3ccc(C(F)(F)F)cc3N3CCCC3)CC2)cc1 552124780 NNJYKBGXRSIZCS-UHFFFAOYSA-N 425.454 5.107 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)[C@@H](Sc2ccccc2F)c2ccccc2)CC1 554542044 DGICGUYJTRKWBD-QHCPKHFHSA-N 431.536 5.138 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN(Cc1cccs1)Cc1cccs1 561170928 XGQSAIBGXGGZSC-QGZVFWFLSA-N 441.647 5.702 30 20 IKED C[C@@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 561442736 COHAWVAPXIJYBF-VGSWGCGISA-N 446.469 5.115 30 20 IKED Cc1ccc(Cl)c(N(Cc2cccnc2)C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c1 564157133 QWGQQEMKFCTFCL-FQEVSTJZSA-N 448.929 5.114 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(O[C@H]3CCOC3)cc2)cc1Cl 564630014 DUQDJJSUNJKQSC-JTHBVZDNSA-N 432.907 5.415 30 20 IKED CC(C)c1noc(Cc2ccc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc2)n1 573223075 FOLUKHBGFCZBRD-FGZHOGPDSA-N 429.524 5.087 30 20 IKED N#CCCCOc1cccnc1NC(=O)N1CCC(c2c(Cl)cccc2Cl)CC1 576309746 DNEOBDCYVTYUJY-UHFFFAOYSA-N 433.339 5.482 30 20 IKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)c2ccc(C(F)F)cc2)cc1 577848548 GXRUSTHQAXSHOT-UHFFFAOYSA-N 428.460 5.070 30 20 IKED O=C(Nc1ccccc1CCC(F)(F)F)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 581203515 SGOPBABOUKDLOQ-LJQANCHMSA-N 448.382 6.303 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)Cc3csc(-c4ccc(Cl)cc4)n3)cc2)ccn1 581224026 WWAGPQZQOHOZKX-UHFFFAOYSA-N 446.919 5.704 30 20 IKED N#CCCCn1cc(C(=O)Nc2c(O)cc(Br)cc2Cl)c2ccccc21 582502630 LBUITIVPAHTCAD-UHFFFAOYSA-N 432.705 5.319 30 20 IKED CN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1ccc(C(F)(F)F)cc1Cl 582688941 VWJQCUZEPFBNCC-UHFFFAOYSA-N 439.840 5.249 30 20 IKED CC[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccc(OC)c(OC)c1 588235342 BUJGLMMQVNSPQT-FQEVSTJZSA-N 432.480 5.036 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c1 592974728 YDZAJWHXTSFRLJ-HXUWFJFHSA-N 427.460 5.376 30 20 IKED C[C@@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)N(CCC#N)c1ccccc1 594669205 FDNCCCKBPMPTNU-LJQANCHMSA-N 438.556 5.724 30 20 IKED C=CCN(C(=O)Nc1ccc2nc(C(C)C)sc2c1)[C@@H](C)c1cccc(-n2cnnn2)c1 596361661 WKTHQYVFTYOEMH-INIZCTEOSA-N 447.568 5.177 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1oc2ccccc2c1COC(C)C 603738813 SQHQTPOYYFNUJU-UHFFFAOYSA-N 441.487 5.978 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)CCc1ccc(Br)cc1F 604486271 BVXATRRLEAOHQP-UHFFFAOYSA-N 427.273 5.219 30 20 IKED CCc1c(C)sc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)c1C#N 609032797 GGCVZXAHMNWKHN-UHFFFAOYSA-N 446.395 5.558 30 20 IKED Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609207934 XVLHYRWJFWUSAO-UHFFFAOYSA-N 445.950 6.262 30 20 IKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1cccc(Cl)c1 609387004 FHWQMYZNTCQYMD-GFCCVEGCSA-N 427.879 5.804 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC(OCCc4ccccc4)CC3)cc2)cc1 609502251 MGFNBPBYJYEREX-UHFFFAOYSA-N 440.543 5.409 30 20 IKED COc1ccccc1C[C@H]1CCCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 609520558 SMBYVBQTYNPCHS-HSZRJFAPSA-N 426.516 5.401 30 20 IKED C[C@@H](c1ccccc1)N1CCC(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 609696143 ILLJLINCLHEQEH-IBGZPJMESA-N 443.522 5.445 30 20 IKED CC(C)NC(=O)Cc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 609722875 CJWJTOJPJVOZJT-UHFFFAOYSA-N 447.922 5.323 30 20 IKED CCc1nc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)nn1-c1ccccc1 609786319 CWCKIKOONODXOD-UHFFFAOYSA-N 445.470 5.107 30 20 IKED CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 609928141 KJWSNRIOWWSBBR-QRQCRPRQSA-N 436.899 5.297 30 20 IKED Cc1cccc(-c2ccc(CNC(=O)C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)c1 610030977 XKDVDMYXULDQKR-IBGZPJMESA-N 443.572 5.169 30 20 IKED CC(C)(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc2ccccc2c1 610220846 ZUXNSOSZKIYODQ-UHFFFAOYSA-N 444.585 5.772 30 20 IKED CCOC(=O)CC[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 611042268 SQRNSSMTOBYRIC-HXUWFJFHSA-N 435.524 5.246 30 20 IKED Cc1ccc(OCc2nc(CC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)cs2)cc1 612539691 CFQDNINMYZKWHE-HNNXBMFYSA-N 437.590 5.270 30 20 IKED COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2ccc3ccccc3n2)c1 613291081 SWGLCGYPQKUMMO-QHCPKHFHSA-N 444.494 5.586 30 20 IKED Cc1oc(-c2ccccc2)nc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613404469 RUYPKNNYEGMGAH-AWEZNQCLSA-N 427.407 5.769 30 20 IKED N#C[C@@H](C(=O)c1cccc(OC[C@H]2CCCO2)c1)c1nc2cc(C(F)(F)F)ccc2s1 642282001 AXLKQDCOUKDKGH-SJORKVTESA-N 446.450 5.363 30 20 IKED C[C@@H]1CCCN(c2cc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)ccn2)C1 643677988 FFTDJGRKOXKXMG-CZUORRHYSA-N 444.482 5.436 30 20 IKED C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC2(CC1)OCc1ccccc12 669803206 ZAUFHRISZNMTBD-NRFANRHFSA-N 444.579 5.247 30 20 IKED C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 670223447 KDUCANXWWAKMFW-GOSISDBHSA-N 447.514 5.098 30 20 IKED N#C[C@@H](C(=O)c1ccc(Sc2ccccc2Cl)nn1)c1nc2cc(F)ccc2s1 676103945 NFOGCFMDIRFZEK-LBPRGKRZSA-N 440.912 5.520 30 20 IKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc3c(c2)CCC3)[n+]2cccc(O)c2)cc1Cl 726570560 GDXLTCATGWCSIS-UHFFFAOYSA-O 448.955 5.017 30 20 IKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(C)n(C)c2C)c1 726571274 QLQLFPUUYKJXBM-UHFFFAOYSA-O 437.976 5.086 30 20 IKED COc1ccc(-c2nc(SCCCOc3ccc4ccccc4c3)nc(O)c2C#N)cc1 727654286 AGKQVIYGBLUDOF-UHFFFAOYSA-N 443.528 5.444 30 20 IKED N#CCOc1ccc(CN[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1 727839147 WTDULJPOJSTEOD-QFIPXVFZSA-N 439.437 5.077 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)CCCOc2ccc(C(C)=O)cc2OC)c1 728181889 IGHJSHAJXVPBIW-UHFFFAOYSA-N 447.556 5.333 30 20 IKED Cn1c(CSc2nc3ccccc3s2)nnc1SCc1ccc(F)cc1C#N 728441474 KUBFNPICXJDIMP-UHFFFAOYSA-N 427.555 5.020 30 20 IKED COc1ccccc1C[C@H](C)CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 730694128 KXYWIIPFJGQUHZ-GOEBONIOSA-N 426.488 5.542 30 20 IKED Cc1cccc2c(O)nc(/C(Cl)=C/c3cccc(OCc4ccccc4C#N)c3)nc12 731318474 ITLSNQQMOQNIAW-XKZIYDEJSA-N 427.891 5.831 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(OC(C)C)c(Cl)c2)ccc1OC 733620791 YGOCCUPZTVTZDJ-QGZVFWFLSA-N 431.920 5.138 30 20 IKED C#CCN(C(=O)Nc1cc(OC)ccc1Cl)[C@@H]1CCOc2ccc(Br)cc21 733628584 QJOPXJDPFHMRQZ-GOSISDBHSA-N 449.732 5.102 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](COc2ccccc2F)c2ccccc2)c1 733847335 CUJWQKWAANEULZ-URXFXBBRSA-N 447.510 5.126 30 20 IKED C=CC[C@@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccncc1 734362086 YNTYSOYKGFYYSP-XMMPIXPASA-N 442.950 5.564 30 20 IKED N#C[C@H](C(=O)C1(c2cccc(F)c2)CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 734706359 FCZNZENFTUWKCM-MRXNPFEDSA-N 431.319 6.164 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1CN(C)C(=O)OC(C)(C)C 737002338 YEAXKRRJLDTGGZ-UHFFFAOYSA-N 434.540 5.145 30 20 IKED Cc1oc(-c2ccccc2F)nc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 739154499 KDFWAANNGOPDCZ-ZDUSSCGKSA-N 432.238 5.057 30 20 IKED CC[C@@H](NCc1ccc(C#N)o1)c1ccccc1OCc1ccccc1Br 742369626 ALSLBFVEFBSDSH-OAQYLSRUSA-N 425.326 5.734 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(F)cc3F)n2)cc1 743457994 OLXFUXWHCNOPIX-KRWDZBQOSA-N 428.460 5.132 30 20 IKED Cc1cc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)c(C)n1-c1nccs1 744739358 XINWACQTEJNDBY-UHFFFAOYSA-N 449.392 5.287 30 20 IKED Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)[nH]c2c1 747294349 HNEOAXCWNWLFIH-DHLKQENFSA-N 435.531 5.896 30 20 IKED Cc1cc(C#N)ccc1COC(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1 748922555 NEEZXUVTLKLKNE-UHFFFAOYSA-N 439.309 5.269 30 20 IKED CCOc1c(OC)cc(/C=C2\CSc3ccc(Br)cc3C2=O)cc1OC 750914174 SXLXYTVSENNJDH-NTUHNPAUSA-N 435.339 5.237 30 20 IKED O=C(/C=C/c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1)c1cccc(N2CCOC2=O)c1 752238168 OYQVAGIELXPKEO-FMIVXFBMSA-N 430.416 5.240 30 20 IKED N#C[C@@H](C(=O)CCCCc1ccc(Cl)c(Cl)c1)c1nc(-c2ccncc2)cs1 753539656 PIDIKMVHORQLEO-INIZCTEOSA-N 430.360 6.101 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cccc(N3CCOC3=O)c2C)cc1 756954575 JJIHQODVGSTSHZ-UHFFFAOYSA-N 427.460 5.176 30 20 IKED Cc1cccnc1/C=C\C(=O)C(c1nc2ccccc2s1)c1nc2ccccc2s1 760183445 QLULPAPOHWDTEM-SEYXRHQNSA-N 427.554 6.024 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)c3ccc(Br)cc3)n2)cc1 766623766 DHKOOPIPPYJMAK-SCLBCKFNSA-N 441.350 5.561 30 20 IKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCF)c1 767732984 LYQCSVZVTPFUKC-HXUWFJFHSA-N 445.535 5.071 30 20 IKED Cc1sc2ncn(N=Cc3ccc(F)cc3C(F)(F)F)c(=O)c2c1-c1ccccc1 771870972 IQDCMULHOSRMPA-UHFFFAOYSA-N 431.414 5.474 30 20 IKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)O[C@H](C#N)Cc3ccc(F)cc3F)c12 774311650 UVIVSDHNXDOQHO-HNNXBMFYSA-N 437.402 5.176 30 20 IKED Cc1noc(C)c1CSc1ccccc1C(=O)O[C@H](C#N)Cc1ccc(F)cc1F 774345121 ULVBYXYXEHYIEZ-KRWDZBQOSA-N 428.460 5.154 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)C(=O)c1ccc(Cl)cc1 777311952 GNBGWVIVRUCPFB-IUODEOHRSA-N 444.890 5.827 30 20 IKED O=S(=O)(c1ccc(CN[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1)C(F)F 780391921 GSCURXBOKQPZPZ-CQSZACIVSA-N 447.347 5.095 30 20 IKED COc1cccc([C@@H](NC(=O)Nc2ccccc2O[C@H](C)C#N)c2cc(F)ccc2OC)c1 780681849 QRJFGZPVIZSMEJ-VOIUYBSRSA-N 449.482 5.045 30 20 IKED N#Cc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c(F)c1 781111439 NLWWLEPOUSZHPH-WEVVVXLNSA-N 439.273 6.153 30 20 IKED Sc1nnc(-c2ccccc2Br)n1N=Cc1c(Cl)ccc2cccnc12 781121977 PACDRMOMJFXFPN-UHFFFAOYSA-N 444.745 5.080 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)C3(c4cc(C(F)(F)F)ccc4Cl)CC3)o2)c1 781420640 BKEOYZVUNMZJKJ-UHFFFAOYSA-N 447.800 5.055 30 20 IKED CC[C@@H](Cc1ccccc1)N(CC)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 785028431 OVXXGJNBNVGEEN-IZZNHLLZSA-N 439.559 5.150 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 786307752 BJLAXUKUBYHHRP-ZACQAIPSSA-N 436.920 5.645 30 20 IKED CC(C)(C)OC(=O)NCc1cccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1 786933337 BXSFGUPCVGBWHD-MRXNPFEDSA-N 441.940 5.464 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)c1ccc([C@H]2CCCOC2)cc1)c1ccc(Cl)cc1Cl 787053010 PHQAHOGMNVBSPE-GZRFBZBPSA-N 445.346 5.087 30 20 IKED COc1ccc(/C=C(\Cl)c2nc3cc(Br)ccc3[nH]2)cc1OCCCC#N 787182357 COEVYGDUBQRWRW-GDNBJRDFSA-N 446.732 5.753 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=S)N[C@H](C)c1ccc(Cl)cc1Cl 795138380 FXLKXIRNDCQZRM-OAHLLOKOSA-N 425.429 5.785 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)/C=C\Sc1cc(F)ccc1F 797939056 AHJAZTBYXZXMNT-FPAJZGIOSA-N 448.516 5.147 30 20 IKED O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)[C@@H](F)c1ccc(C(F)(F)F)cc1 801689188 CSHZWMZMROAJGB-HNNXBMFYSA-N 431.311 5.559 30 20 IKED O=C(OCc1nc(O)c2ccc(C(F)(F)F)cc2n1)[C@H](F)c1ccc(C(F)(F)F)cc1 801896746 CFSYXQULYOMZES-OAHLLOKOSA-N 448.294 5.127 30 20 IKED C[C@@H](Cc1cncc2ccccc12)C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 805856026 QNTLYQCOWIUXLY-RNODOKPDSA-N 426.303 5.068 30 20 IKED CC1(C(=O)OC[C@H]2CCO[C@@H]2c2ccccc2)CCN(c2ccc(Cl)cc2C#N)CC1 805920994 WSXGKQUWFJPHJD-AUSIDOKSSA-N 438.955 5.139 30 20 IKED C#CCC1(c2nc(Cc3nc(O)c4c(-c5ccccc5)csc4n3)no2)CCCCC1 809245035 XMVAIBHDVVFXLW-UHFFFAOYSA-N 430.533 5.263 30 20 IKED Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)OCCCC2(C#N)CCOCC2)cs1 811307413 UQPBCPOOWSOHSP-UHFFFAOYSA-N 430.545 5.179 30 20 IKED C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1cccc(Br)c1 813060340 WMCJTYLGUVYLDI-IINYFYTJSA-N 440.124 5.207 30 20 IKED Cc1cc(C#N)cnc1C(=O)O[C@H](C)c1cnc(-c2ccc(Br)cc2)s1 815991434 BLJCUWANXGYNJN-GFCCVEGCSA-N 428.311 5.066 30 20 IKED CN(Cc1cccc(NCc2cc(C#N)ccc2Br)c1)C(=O)OC(C)(C)C 864003021 DAYWRIBUHVSFQU-UHFFFAOYSA-N 430.346 5.300 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3SCc3cc(C)no3)n2)cc1 915100478 RVJYFMMSQTZNKM-FQEVSTJZSA-N 445.569 6.197 30 20 IKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 915101645 JJNMNRVUKFATBZ-FXAWDEMLSA-N 449.601 5.364 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN(C)Cc2ccc(F)cc2)c1=S 915825918 LZDRORGXZJKPMU-UHFFFAOYSA-N 432.952 5.061 30 20 IKED N#C[C@H](C(=O)CSCc1cccc(Cl)c1)C(=O)Nc1ccc(SC(F)F)cc1 916884266 VJWGHRGSGCGAHP-MRXNPFEDSA-N 440.924 5.235 30 20 IKED CCc1ccc(C(=O)CCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916906412 SXSXJBODMAKDET-QFIPXVFZSA-N 440.499 5.352 30 20 IKED N#C[C@@H](C(=O)C1(c2ccc(F)cc2)CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995715 CXRUCDPDFYTPAG-INIZCTEOSA-N 431.319 6.164 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1csc(COc2ccc(F)cc2)n1 917716693 SPXQRCASFASDOM-UHFFFAOYSA-N 435.505 5.714 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(-n3nccc3-c3ccccc3)c2)cc1 920324993 WUGRFZQAKUTNDV-XMMPIXPASA-N 434.499 5.063 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4n[nH]cc4c3)cc2)CCC1 1788435741 VAAWSUWJLVWGIQ-JOCHJYFZSA-N 428.536 5.079 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)/C(C)=C/c3ccc(C)o3)cc2)CCC1)C(F)(F)F 1789585331 KINAUZVEGMPFIN-BUHFOSPRSA-N 432.442 5.244 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)sc4Cl)cc3)CCC2)CC1 1789905036 FBEXJLMXKNSMFA-UHFFFAOYSA-N 434.348 5.106 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3nc4ccccc4o3)cc2)CCC1 1790851230 DTBUOXCEPKNTLT-HXUWFJFHSA-N 429.520 5.344 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(Cl)c2)[C@@H]1c1cccnc1 1811820006 SHZZYKWFXIGZQL-UNMCSNQZSA-N 439.987 5.047 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)C[C@@H](C)c2ccccc2)[C@@H]1c1cccnc1 1812732119 ATQQYYJGKCJTKF-BXDZISEESA-N 445.607 5.050 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sccc2Cl)[nH]n1 1819307732 MQNQZNKETGZIET-WMLDXEAASA-N 432.977 5.199 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)c(C)cc2F)[nH]n1 1819311374 XAQYAFJRGCNYIJ-IIBYNOLFSA-N 442.510 5.071 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCCn2cccc2)[nH]n1 1819554466 ARHIWHLFYFSEIY-NRFANRHFSA-N 439.604 5.066 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)[nH]n1 1819556585 GNBLZCYMVXMUIY-HDAAZOAOSA-N 426.605 5.221 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)cc(F)c2F)n[nH]1 1823221141 JNOXTIFUDWRKTH-SFHVURJKSA-N 448.489 5.125 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccoc3s2)CC1 1827410428 OCXBSTMUWAJHFM-SFTDATJTSA-N 440.609 5.496 30 20 IKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1830063840 FYZUCLSOEAXXLY-HFZDXXHNSA-N 443.591 5.169 30 20 IKED C=CCn1c(SCc2csc(-c3ccc4c(c3)OCO4)n2)nnc1-c1ccoc1C 14063954 KDLLAOHNDHFJKP-UHFFFAOYSA-N 438.534 5.177 30 20 IKED C=CCn1c(S[C@H](C)C(=O)NCc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 16862729 HNZQRGQHENBCQK-CQSZACIVSA-N 447.391 5.235 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1ccccc1 21755261 QGQQJWQYOJFBAO-FQEVSTJZSA-N 445.592 5.175 30 20 IKED N#Cc1ccc(-n2c(SCc3cc(F)cc4cccnc34)nc3ccccc3c2=O)cc1 31620360 YQRHNKYJDZDRFB-UHFFFAOYSA-N 438.487 5.237 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)n1 97261770 IYFXRTUHXVHDOK-MRXNPFEDSA-N 426.954 5.363 30 20 IKED Cn1ccnc1COc1ccc(C(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 195689325 GPMNULPOGDEKHA-PKNBQFBNSA-N 429.432 5.063 30 20 IKED N#C[C@@H](C(=O)c1c[nH]c(C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 429685790 MSSIIQALVFRHBX-NSHDSACASA-N 430.238 5.954 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CC[C@H](c4cccc(Cl)c4)C3)c2)c1 432920424 ZJBNVELDWWDDBV-FQEVSTJZSA-N 444.922 5.485 30 20 IKED Cc1cc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)ccc1NC(=O)c1ccco1 438233104 FGXPVSSOPUWLQD-UNMCSNQZSA-N 428.492 5.144 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1CC(F)(F)F 438633111 VGGTXBKRQUYGJK-UHFFFAOYSA-N 445.254 5.913 30 20 IKED COCCN(C(=O)N[C@@H](CCC#N)c1ccccc1)[C@H](C)c1cccc(C(F)(F)F)c1 438840613 NLNLDEVMVPMVIQ-UTKZUKDTSA-N 433.474 5.469 30 20 IKED CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)CSCc2ccc(C#N)cc2)n1 439652922 UTRQDTRGZPXKDO-UHFFFAOYSA-N 440.956 5.332 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C2CC2)c1)c1ccc(-c2cccc(C#N)c2)cc1 439836106 ZVFXHWDYKNRVGK-MRXNPFEDSA-N 427.479 5.058 30 20 IKED CCCc1c(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cnn1-c1cccc(C#N)c1 440083845 XTZPWPHCIUTMQU-UHFFFAOYSA-N 449.514 5.201 30 20 IKED C=CCC[C@H](NC(=O)Nc1cc(-c2nnco2)ccc1C)c1ccc(C(F)(F)F)cc1 442205968 YGQYQIZRDZDDOS-SFHVURJKSA-N 430.430 5.893 30 20 IKED C=C[C@H](CC(=O)NC[C@]1(C)CCN(C(=O)C[C@@H](C=C)c2ccccc2)C1)c1ccccc1 442836015 ZKKUYYHRIVTDJT-MRJKTFCFSA-N 430.592 5.061 30 20 IKED Fc1ccccc1-c1noc(CN[C@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)n1 444611650 GIOIWPUFFWXZGB-OAHLLOKOSA-N 435.299 5.168 30 20 IKED CC[C@@H](c1ccccc1)N1CC(=O)N(c2ccc(Oc3ccccc3C#N)c(F)c2)C1=O 446152588 UUNZGLLXRVCFDX-NRFANRHFSA-N 429.451 5.410 30 20 IKED C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1cccc(N2CCCC2)c1 446943889 LXNRDJPKNOBAHQ-QGZVFWFLSA-N 431.565 5.088 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccn(C)n1 460225585 AHEDEPLAIUFMIM-IBGZPJMESA-N 435.380 5.276 30 20 IKED N#Cc1ccc(OCCNC(=O)c2oc3ccccc3c2CSc2cccs2)cc1 460282928 RPDTUNWIZKZPPM-UHFFFAOYSA-N 434.542 5.467 30 20 IKED Cc1cc(-n2cncn2)ccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 460716806 IAOQSCFMQAJRGK-JOCHJYFZSA-N 427.895 5.137 30 20 IKED C[C@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1cccs1 461487866 GVZPLMZMDKSMAL-CYBMUJFWSA-N 436.368 5.012 30 20 IKED CSc1cccc([C@@H](NC(=O)[C@H](C)Oc2ccccc2C#N)c2cc(F)ccc2F)c1 464138164 XGUZCTZZERIDHO-NPMXOYFQSA-N 438.499 5.231 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 467031659 GXYXQKUMBZVMFI-UHFFFAOYSA-N 430.455 5.042 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3C[C@@H]3c3cccc(C(F)(F)F)c3)ccc21 469950518 NGMUZPGUFHNATH-UXHICEINSA-N 441.453 5.031 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CNc2cccc(Oc3ccc(C#N)cc3)c2)cc1 470521957 HNDGUOQLEOQCEI-UHFFFAOYSA-N 440.503 5.108 30 20 IKED CO[C@H]1CCC[C@H](CC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)C1 474948037 ATXSPEBPCIJYTH-BBRMVZONSA-N 437.487 5.158 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)n1 474974461 WMVWRFIDRVBBFF-GFCCVEGCSA-N 434.395 5.089 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 475615643 CCZHXZCMVPXBMP-BEFAXECRSA-N 449.498 5.705 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1nc2c(s1)CCCC2 475658265 VYZZXNARJSTYQJ-UHFFFAOYSA-N 432.549 5.658 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N(Cc2cccc(Br)c2)C2CCOCC2)cc1 476950358 HTFBEJFHGLJCBE-UHFFFAOYSA-N 441.369 5.072 30 20 IKED C=C(C)[C@H](NC(=O)N[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1)c1ccc(F)c(F)c1 477168558 IOCPIUSWGFYRSE-YJYMSZOUSA-N 430.430 5.140 30 20 IKED CN1CCC[C@@H](CNC(=O)c2c(F)c(F)cc(F)c2F)[C@H]1c1ccc(C(F)(F)F)cc1 480854744 FEIPFGKFPGTOJW-HXPMCKFVSA-N 448.382 5.075 30 20 IKED CN(Cc1c(F)cccc1Cl)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481714995 SKIWHPMFDPYSNF-UHFFFAOYSA-N 441.865 5.733 30 20 IKED C[C@@H](NC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F)c1nc2ccccc2n1C(F)F 482396673 BMRBCDRADRZGEZ-RFAUZJTJSA-N 448.342 5.373 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1 483364092 BNEGNSUNOWRZQO-UHFFFAOYSA-N 431.923 5.670 30 20 IKED N#C[C@@H](C(=O)c1ccc(COC(F)(F)F)cc1)c1nc(-c2c(F)cccc2F)cs1 483522373 GAZZSCWJROOPBX-ZDUSSCGKSA-N 438.377 5.615 30 20 IKED Cc1ccc(C(=O)N[C@H](CC(=O)N[C@H](CCCC#N)c2ccccc2)c2ccccc2)cc1 487214954 AFXGGGDPXNMTTK-CLJLJLNGSA-N 439.559 5.408 30 20 IKED COCc1cccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 487417996 GXPGSWNGVKOIBT-UHFFFAOYSA-N 431.439 5.023 30 20 IKED C=CCn1c(SCc2cn(C(C)C)nn2)nc2sc(-c3ccccc3)c(C)c2c1=O 488278835 BPJVWWLYJYIIEX-UHFFFAOYSA-N 437.594 5.084 30 20 IKED C=CC[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1)c1ccccc1 488675861 LVVIOZCKKWZZQE-QHCPKHFHSA-N 434.561 5.403 30 20 IKED C[C@@H](N[C@H](C)c1ccc(OC(F)F)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 493505921 ARIXQYWAUCIPPM-ZIAGYGMSSA-N 433.524 5.168 30 20 IKED CCN(CC)Cc1cccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)c1 495375010 GKEFWOAXGWUIFY-UHFFFAOYSA-N 429.589 5.481 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(OC3CCCCC3)CC2)cc1C 497462441 BNZCCCGQLNSAOU-UHFFFAOYSA-N 434.584 5.035 30 20 IKED C=CCn1c(SCC(=O)NC(C)(CC)CC)nnc1-c1ccc(Cl)cc1Cl 497991630 QTYLMYPBCIRVJB-UHFFFAOYSA-N 427.401 5.225 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(Oc2ccccc2)nn1 498027144 SNSPXQMWAQOMKT-UHFFFAOYSA-N 445.548 5.226 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccccc2N2CCc3ccccc32)cc1 502384944 IKNUIXGPIHLQIE-UHFFFAOYSA-N 427.508 5.332 30 20 IKED C[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1nc(-c2ccccc2)cs1 504094731 JYGNQKGKXBDYNW-ZDUSSCGKSA-N 446.454 5.506 30 20 IKED CCOc1ccc2nc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)sc2c1 505462845 VOKZGJPWBCEXAO-UHFFFAOYSA-N 445.548 5.341 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2ccc(F)cc2OCCC(F)(F)F)c1 505867340 XGIRXRZIQUYPMF-UHFFFAOYSA-N 425.382 5.483 30 20 IKED N#CC1(CCCSCc2csc(-c3ccc(C(F)(F)F)cc3)n2)CCOCC1 507719778 CAFPNOSRZOEBAH-UHFFFAOYSA-N 426.529 6.163 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)c(C)s2)cc1 508142856 MXOTVLULXVATAK-UHFFFAOYSA-N 446.572 5.799 30 20 IKED C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2ccsc2)C1 508934758 KQVQWYZRCVLQLI-GOSISDBHSA-N 433.002 5.049 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@H](c3nc([C@@H](F)c4ccc(C(F)(F)F)cc4)no3)C2)n1 512025216 LBELBDGNRBTLRJ-WMZOPIPTSA-N 445.420 5.106 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1cccc(C(F)(F)F)c1 513180909 KAQUQSABSTVAQY-OAHLLOKOSA-N 438.331 5.103 30 20 IKED C=CCN(C(=O)CSc1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514301810 YDTWXIOHLKJGIU-UHFFFAOYSA-N 429.498 5.169 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)s2)o1 515283389 ALEWSBSQFWSALX-UHFFFAOYSA-N 430.489 5.640 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)o1 515435845 DHSBUKSZYQTGKW-UHFFFAOYSA-N 437.427 5.384 30 20 IKED CCOc1ccc(NC(=O)CNc2cccc(Oc3ccc(C#N)cc3)c2)cc1OCC 517169361 XVUKPLRQCYSKPR-UHFFFAOYSA-N 431.492 5.199 30 20 IKED C[C@H](c1ccc2ccccc2c1)N(C(=O)CCC(=O)N(CCC#N)c1ccccc1)C1CC1 518303354 OHFJWUVTQWPPHV-OAQYLSRUSA-N 439.559 5.619 30 20 IKED CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 520681864 DFMNVHLEXQYPNY-QHCPKHFHSA-N 429.520 5.974 30 20 IKED C=CCOc1ccc(CNCC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1OC 521815085 GIIWFUAKKGZYNY-UHFFFAOYSA-N 435.486 5.117 30 20 IKED C[C@@H](c1cccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1)N1CCOCC1 521929280 PASNIXKMOLQRBI-FQEVSTJZSA-N 441.531 5.190 30 20 IKED C=CCn1c(SCc2ccc(Oc3ccccc3F)c(F)c2)nnc1-c1cccnc1 522827797 AMEMZNYRYIAJHT-UHFFFAOYSA-N 436.487 5.889 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(OCC2CCOCC2)cc1 523010709 RCNZBHCCFCWTAQ-KRWDZBQOSA-N 425.554 5.530 30 20 IKED CCc1c(C)sc(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)c1C#N 524330491 NZOYNFBIOFHTRX-UHFFFAOYSA-N 431.970 5.740 30 20 IKED C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(F)cc1-c1nc2ccccc2s1 524810847 KJGFFBINCAEBHI-UHFFFAOYSA-N 425.529 5.246 30 20 IKED N#C[C@H](NC(=O)c1cnc2ccccc2c1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 535783046 RDDXDUYOMKFGSJ-INIZCTEOSA-N 439.315 5.147 30 20 IKED COc1cc(CN[C@@H](CC(F)(F)F)c2ccccc2)ccc1OCc1cccc(C#N)c1 537074331 DHIYNMGLPMVSSW-QFIPXVFZSA-N 440.465 5.929 30 20 IKED CC(C)Sc1ccc([C@H](C)NCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 537102455 CHOSLGRSOBFWIU-ROUUACIJSA-N 427.639 5.728 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 539233162 ORGADCQYVSQGQG-UXHICEINSA-N 447.604 5.254 30 20 IKED N#CCCCOc1cccc(CN2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c1 539818234 LJVPSQOJXGUGQW-UHFFFAOYSA-N 446.378 5.527 30 20 IKED N#CC1(CCC[S@@](=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CCOCC1 541002537 XKAWKZUEYLYQDR-GDLZYMKVSA-N 442.528 5.178 30 20 IKED CC[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)c1nc(C(F)(F)F)cs1 541636870 HTIBEBNWRUFOCJ-DOTOQJQBSA-N 438.519 5.155 30 20 IKED Fc1cccc(-c2nc(CN[C@H](c3ccc(OC(F)(F)F)cc3)C(F)(F)F)co2)c1 543871148 PFZCXLPVZQEISQ-MRXNPFEDSA-N 434.311 5.773 30 20 IKED C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 561757753 IMDQMQDIBGMGBY-INIZCTEOSA-N 447.476 5.022 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 569995852 ABCKYMWHBFOJMG-QGZVFWFLSA-N 429.364 5.571 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC1(c2cccc(Cl)c2)CCCC1 577922801 GIKZIIJPZXKDTG-INIZCTEOSA-N 441.984 5.116 30 20 IKED N#C[C@H](C(=O)c1ccc(OCC(F)(F)F)cn1)c1nc(-c2ccc(Cl)cc2)cs1 579915827 XWNUDZAPTBFXOO-CQSZACIVSA-N 437.830 5.290 30 20 IKED C[C@H](Sc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(CCC#N)c1ccc(F)cc1 598951544 RIHGBTMFADLJLS-AWEZNQCLSA-N 429.904 5.562 30 20 IKED CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1 603689185 BGBCSXMDLFMVOO-KRWDZBQOSA-N 443.507 5.052 30 20 IKED CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)c2cccs2)cc1 603706270 UZYGHXQDJKCUEO-NRFANRHFSA-N 437.952 5.241 30 20 IKED Cc1cc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c2cc(Br)ccc2n1 604565569 BNXVJUJKCXYYRG-UHFFFAOYSA-N 449.333 5.553 30 20 IKED CSc1nc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2ccccn12 608552889 MFJMWCWIYXPMAG-LLVKDONJSA-N 432.452 5.175 30 20 IKED COc1ccc(Br)cc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 608553089 QCDVGHMTMYZBHC-LBPRGKRZSA-N 449.276 5.349 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nnc(CCC2CCCCC2)o1 608929750 OUZGAHFPZRLMTM-KRWDZBQOSA-N 442.585 5.019 30 20 IKED CCc1c(C)sc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c1C#N 609032644 XVXOXLOSYMZHJD-UHFFFAOYSA-N 434.348 6.024 30 20 IKED N#CCCCOc1cccc(NC(=O)[C@@H](Sc2cc(F)ccc2F)c2ccccc2)c1 609298278 KEZOFJLRJPKQCN-QHCPKHFHSA-N 438.499 6.119 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccccc1SC[C@H](C)C#N 609376667 HNRDPQGJXSXEJF-CQSZACIVSA-N 441.553 5.674 30 20 IKED C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 609387177 RKKDAMXAWDZJPG-OLZOCXBDSA-N 441.906 6.050 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 609399225 HYDQAQXEAFEMHH-KRWDZBQOSA-N 431.005 5.187 30 20 IKED COc1cc(CCC(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)ccc1OCC(F)(F)F 609415339 VUSPVPFSWYNKAZ-IBGZPJMESA-N 448.485 5.247 30 20 IKED Cc1cccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1C(=O)N1CCCC1 609500720 PWDAHIJYSTXOTF-UHFFFAOYSA-N 439.515 5.342 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(Cl)c3Oc3cccnc3)cc2)nc1 609501895 IGNSLBXAKBMHDM-UHFFFAOYSA-N 442.862 5.839 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cc(C(N)=O)ccc2Cl)c1 609732381 VQIYTHSUTPXIQT-UHFFFAOYSA-N 426.259 5.009 30 20 IKED CCOC(=O)CC[C@H]1CCCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C1 611189976 FXYUKRAEFXMWEE-QGZVFWFLSA-N 440.927 5.199 30 20 IKED C[C@]1(C#N)CCCN(c2nnc(-c3cccc(C(F)(F)F)c3)n2Cc2ccccc2)C1 619820507 CTABRCZEOHAJDQ-JOCHJYFZSA-N 425.458 5.142 30 20 IKED Cc1cc(F)ccc1-c1ccc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1F 674443265 AGIMKUDOACQUIH-HZPDHXFCSA-N 437.330 5.753 30 20 IKED O=C(N[C@@H]1CCC(F)(F)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 675688761 HIZMEHXHRZUVSV-WBGGOEJBSA-N 433.383 5.413 30 20 IKED CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 682421247 FKUGEWMIGBRPLB-OKILXGFUSA-N 449.357 5.863 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(Br)cnc2Cl)cc1 725883632 CYHNDMQFZGXKNY-SFHVURJKSA-N 426.701 5.405 30 20 IKED N#C[C@@H](C(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(SC(F)F)cc1 726319323 FXZNCSCKZNFYJN-AWEZNQCLSA-N 443.302 5.588 30 20 IKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CC1CCC1)c1cccs1 726419672 JCOBEZANWPBFQA-ZPGIOUQYSA-N 445.585 5.077 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(SCc2csc(C)n2)cc1 726754475 JPWIUDRRFLMXTD-UHFFFAOYSA-N 444.585 5.493 30 20 IKED N#Cc1ccc(C2=N/C(=C\c3csc(-c4ccc(C(F)(F)F)cc4)n3)C(=O)O2)cc1 726909546 JIOVJJIXEMYKKD-MFOYZWKCSA-N 425.391 5.045 30 20 IKED COc1ccc(/C=C/C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)c(OC)c1OC 727655254 UNLWMSQHXJKPTJ-YRNVUSSQSA-N 429.925 5.694 30 20 IKED N#CCOc1ccccc1C(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 728009072 NTNZXWNLGAGHFY-UHFFFAOYSA-N 426.394 5.439 30 20 IKED N#Cc1ccc(SCC(=O)OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 728675552 LLUWZIBNBJMUEI-UHFFFAOYSA-N 434.464 5.536 30 20 IKED N#Cc1ccccc1NC(=S)N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21 731942835 RRLDTOGMFHXTMW-UHFFFAOYSA-N 445.523 5.491 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNCc2cn(-c3ccccc3)nc2-c2ccc(C)o2)c1 733800693 DDPBUTDVSBQJKM-QHCPKHFHSA-N 426.520 5.412 30 20 IKED COC(=O)N(C)Cc1ccc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 735365247 KHCLHOSGIJDBTI-UHFFFAOYSA-N 430.464 5.193 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCC(c4c[nH]c5ncccc45)CC3)c2)s1 740483046 LGMQPNDCLDZLNX-UHFFFAOYSA-N 441.560 5.252 30 20 IKED CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 742303377 IOCQIFBXQAFOOB-QHCPKHFHSA-N 433.552 5.318 30 20 IKED CCc1noc(CCCC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)n1 742785151 NTTJMQZGSJTJEU-UHFFFAOYSA-N 444.413 5.276 30 20 IKED Cc1cc(C)c(NC(=S)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(Cl)c1 743036242 LXNAQWNEQPVWIJ-UHFFFAOYSA-N 425.916 6.569 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Nc2ccc(COCc3ccccc3)cc2)cc1 743481337 YWEIPBYKTLXFLA-QFIPXVFZSA-N 427.548 5.459 30 20 IKED CC1=C(C(=O)Nc2ccccc2C(C)C)[C@@H](c2ccc(C#N)o2)NC(=S)N1CC(C)C 743741018 YKZYKBSDWOMLAD-JOCHJYFZSA-N 436.581 5.075 30 20 IKED N#C[C@@H](C(=O)c1cccc(CSc2c(Cl)cccc2Cl)c1)C(=O)N1CCCC1 744023914 MOLVAVGRYKMXJP-INIZCTEOSA-N 433.360 5.231 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2)c1nc2cc(C(F)(F)F)ccc2s1 744038372 RNPIEEXCINNRPL-SOUVJXGZSA-N 444.434 5.066 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)cc1 745398910 MQNOATIEQAYBOI-UHFFFAOYSA-N 437.547 5.857 30 20 IKED Cc1nc(C(=O)O[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)nn1-c1ccc(F)cc1 746437751 OFWJTNJNEGVCJX-HNNXBMFYSA-N 447.310 5.194 30 20 IKED CC(C)(CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc2c(c1)OCCO2 746763554 XIFADWDNGHLVML-QHCPKHFHSA-N 441.531 5.213 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc(C3CC3)nc3ccc(C)cc23)ccc1OC 746852088 CQWNSGRZRGKSMJ-IBGZPJMESA-N 429.520 5.040 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)n1 747194414 ZPHAZFZPGWBYPE-RDJZCZTQSA-N 436.364 5.054 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(-c3ccccc3Br)n2C)n1 747197611 KMAFPURMBRSLGN-AWEZNQCLSA-N 428.355 5.525 30 20 IKED CCCOc1c(Cl)cc(C=NO[C@H](C)c2nnc(-c3cccs3)o2)cc1OCC 748097720 POOLSRXEILKZSV-CYBMUJFWSA-N 435.933 5.751 30 20 IKED CC(=NNc1ncnc2sc(-c3ccccc3)cc12)c1cnn(-c2ccccn2)c1C 748244489 MWPXWDXQPALXJH-UHFFFAOYSA-N 425.521 5.084 30 20 IKED CCCCCCNC(=O)[C@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 748443214 LYKKIESNXOBRGB-ZCYQVOJMSA-N 446.595 5.282 30 20 IKED CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C#N)s2)NC(=O)N1Cc1ccccc1 749013775 FORACBMNZYHCRA-QHCPKHFHSA-N 442.544 5.107 30 20 IKED C/C(=C/C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccc(Cl)c1 750574615 VHCNESPKKNVCIT-IRVMHKCDSA-N 428.941 5.319 30 20 IKED COc1ccc(N(C(C)=O)c2nc(C=NNc3cc(Cl)ccc3Cl)cs2)cc1 751894819 BLTBIEGDYQAXPU-UHFFFAOYSA-N 435.336 5.589 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)[C@H](CC)c2cccc(C(F)(F)F)c2)ccc1OC 752312767 SGBCAVNWGSKXAX-RBUKOAKNSA-N 434.458 5.205 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)cc1C#N 752756513 PDHJDJVMTGNMOO-HNNXBMFYSA-N 446.429 5.167 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC[C@H](O)c1ccc(C#N)cc1 754865962 JFYAJSCVEWRCEA-DJJJIMSYSA-N 442.382 5.137 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCC(=O)c1cc(Cl)sc1Cl 756228797 UPIYOFFILIPWIA-ZDUSSCGKSA-N 433.316 5.399 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CC(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12 756516313 SFFSBFKXEOXJHU-HXUWFJFHSA-N 443.503 5.077 30 20 IKED CCN(C(=O)Cc1cccc(OCC#N)c1)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 760456612 UIRBHSXUXLDHTN-MHZLTWQESA-N 427.548 5.288 30 20 IKED COc1cccc(C=C2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)c1 761619702 RNAJKUHUMIGSFR-HHHXNRCGSA-N 437.543 6.062 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12 762958395 YCTSNCNIHUHFHV-NJDAHSKKSA-N 425.579 5.160 30 20 IKED C=CCn1c(-c2cccs2)nn(CN(Cc2cccs2)CC(F)(F)F)c1=S 765053143 AQDXXFIHJLTVJK-UHFFFAOYSA-N 430.546 5.412 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OC[C@@H]2CCO[C@H]2c2ccccc2)cc1C 769338298 BDGIEURCTDCDLU-DHLKQENFSA-N 429.520 5.015 30 20 IKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1coc(-c2ccccc2Cl)n1 776518054 URZHGRCHLAHHHJ-CQSZACIVSA-N 434.666 5.263 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Cc1csc(-c2cc(Br)cs2)n1 780164961 QIEHBZITVNSQAU-NSHDSACASA-N 448.367 5.106 30 20 IKED C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)[C@H](C#N)c1ccc2ccccc2n1 780302081 LUPUWZISAIONBS-YJSIEXFISA-N 437.543 5.195 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 787417623 QEWDIYDMUYWADZ-QFIPXVFZSA-N 435.886 5.713 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C\C(=O)c1ccc(C(=O)N(C)C)cc1 792924591 DWHNWWGVIAPNFI-SEYXRHQNSA-N 428.319 5.085 30 20 IKED Cc1nc(SC(F)F)sc1CC(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1 795081965 WAFFZTGHWFVRKE-UHFFFAOYSA-N 432.386 5.602 30 20 IKED CC(=NO[C@H](C)C(=O)Nc1ccccc1C(F)(F)F)c1ccc(Br)cc1F 795245679 FGMYRSLSHKTIAZ-LLVKDONJSA-N 447.226 5.375 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cccc(C(=O)Nc2ccccc2)c1 796798484 MBFLDRYGWXVVTN-QHCPKHFHSA-N 433.467 5.053 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(C(C)(F)F)cc1)c1ccc(Cl)cc1Cl 797147094 ORJVQNGOESVDBP-ZBEGNZNMSA-N 425.262 5.305 30 20 IKED FC(F)(F)CCCCNC(=S)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 798375520 JTFQMZGRWOPGSS-UHFFFAOYSA-N 446.432 5.453 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccnc1 800576528 OGUXATOVANHSFU-JOCHJYFZSA-N 436.556 5.026 30 20 IKED CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 810281423 LNQWZAVQEXOEMP-UHFFFAOYSA-N 440.425 5.818 30 20 IKED N#C[C@@H](C(=O)Cc1ccc(Br)c(Cl)c1)c1nc2ccccc2n1C(F)F 810535198 CUMRIZAJJJDMGN-NSHDSACASA-N 438.659 5.266 30 20 IKED COc1ccc([C@@H](O)C2CCN(C(=O)Nc3cccc(C#Cc4cccs4)c3)CC2)cc1 812917970 LLRIUZSOHXZKQB-RUZDIDTESA-N 446.572 5.134 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)c3cccc(Br)c3)n2)cc1 813063643 AMTDERAKNPWLCI-SCLBCKFNSA-N 441.350 5.561 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)s1 813445741 GVDTVCVLDBJWMQ-ZDUSSCGKSA-N 440.352 5.421 30 20 IKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CCCC2)c1 916208228 WZXLOFYIGIMIDY-FQEVSTJZSA-N 443.519 5.176 30 20 IKED N#C[C@@H](C(=O)c1ccc(SC(F)F)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 916847849 WYPIOHLMIRLXPY-ZDUSSCGKSA-N 431.489 5.080 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)cc1 916908492 AFGPHGOJBJGCJG-LJQANCHMSA-N 442.943 5.297 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCc3nnc(-c4ccccc4)o3)n2)cc1 916975357 YNBWBIYNLBKJQW-IBGZPJMESA-N 428.517 5.368 30 20 IKED N#C[C@H](C(=O)CCCc1nc(-c2ccc(F)cc2)no1)c1nc(-c2ccccc2)cs1 917026721 NBRGRGVPTSJJQI-GOSISDBHSA-N 432.480 5.198 30 20 IKED Cc1nn(-c2ccc(Br)cc2)c(C)c1/C=C/C(=O)c1ccc(OCC#N)cc1 917144652 KCCJBIFFUKGNQS-VAWYXSNFSA-N 436.309 5.050 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 918492570 VFMGSUAFOPWVEF-QRWLVFNGSA-N 443.450 5.467 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccnc1SC(F)(F)F 920280088 RPKHKWPFORTBOU-BRPSZJMVSA-N 440.331 5.333 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cccnc4-c4ccccc4)cc3)CCC2)C1 1788735229 OXCXPSZVTOPZIF-UHFFFAOYSA-N 437.543 5.463 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5ccoc45)cc3)CCC2)c1 1790956448 IAXVJTCBMORJFS-UHFFFAOYSA-N 435.483 5.366 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4nccc-4c3Cl)CCC2)cc1 1791247630 BSJDRNMRSIQIGR-OAHLLOKOSA-N 436.943 5.128 30 20 IKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@]4(F)CCCC=C4F)cc3)CCC2)c1 1792377302 BUEICLDADLNMBY-SANMLTNESA-N 449.501 5.360 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1)C2 1792573714 QXANLRJNKANXGI-YHINDDMVSA-N 429.004 5.074 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2sccc2OCC)n[nH]1 1814338769 HOKGKSQXIOAWKP-QGZVFWFLSA-N 444.601 5.168 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccsc2)[nH]n1 1819554142 HNAGRSQXZYAYDM-IBGZPJMESA-N 428.602 5.089 30 20 IKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)[nH]n1 1822581324 PSZJMOHLQVMCMI-OAQYLSRUSA-N 426.605 5.202 30 20 IKED CCC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)CCC1 1828478653 WKFAQDBPROWDIZ-QFIPXVFZSA-N 442.003 5.025 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C3CC3)cc2)CC1 1828827325 LJQBMSMJKXBNQW-CLJLJLNGSA-N 434.624 5.566 30 20 IKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)c(Cl)cc3C)CC2)C1 1830781389 STIDKSXSXWKKJO-JOCHJYFZSA-N 449.422 5.501 30 20 IKED Cc1cc(C)c(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2ccccc2)c(Cl)c1 10178857 MDUNRCSKFGKRFI-UHFFFAOYSA-O 438.016 6.419 30 20 IKED Cc1c(C#N)c(S[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)nc2c1CCC2 10323474 OWOPLVDDJUAYNH-OAHLLOKOSA-N 426.611 5.053 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2cccc(CC)c2)cc1 14872204 OXCNCSFGVLDOFZ-UHFFFAOYSA-O 444.045 6.255 30 20 IKED N#CCC[C@@H](C#N)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 15244484 DGLRTGCFQHCOSV-AWEZNQCLSA-N 428.348 5.777 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)cc2C)[n+]2ccc(N(C)C)cc2)cc1 22729530 AJZRKPJQYCHDJA-UHFFFAOYSA-O 448.612 5.107 30 20 IKED C[C@@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)N(CCC#N)c1ccc(F)cc1 23499844 VKBHZGCPTMQVHJ-CQSZACIVSA-N 444.582 5.230 30 20 IKED CC(C)NC(=O)Nc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 27095994 PIOPVYLQMZRRCZ-UHFFFAOYSA-N 430.533 5.492 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cccc(NC(=O)C2CCC2)c1 30478129 STSQKOMHLKVHMD-UHFFFAOYSA-N 441.556 5.378 30 20 IKED C=CCn1c(SCc2nnc(C(C)(C)C)o2)nc2scc(-c3cccs3)c2c1=O 31839117 YGXHTNZWTSPJCW-UHFFFAOYSA-N 444.607 5.345 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1c(C)cc(C)cc1Cl 32785807 BVGZSXQKBGGPRY-QGZVFWFLSA-N 441.000 5.444 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(C)c(C)c2)nc1 58423839 AZAAYHWNHBFQIE-UHFFFAOYSA-N 430.508 5.043 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2nc3c(cc2C#N)CCCC3)cs1 96995011 XNDWHJVHSYWDTJ-UHFFFAOYSA-N 448.617 5.882 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)c1 107808111 INKHNBPNVFYAFR-UHFFFAOYSA-N 427.357 5.221 30 20 IKED Cc1cc(NC(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)n(CCC#N)n1 109345929 PNOKUZVPFNKXJW-UHFFFAOYSA-N 445.375 5.957 30 20 IKED COc1ccc(C2(CNc3c(C#N)cnc4c(F)ccc(Cl)c34)CCOCC2)cc1 195640609 IQJCHNFDEZEYMX-UHFFFAOYSA-N 425.891 5.068 30 20 IKED CC(C)[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1nc(-c2cccnc2)no1 236755954 RLBSMUSCJSHYQF-XMMPIXPASA-N 439.519 5.069 30 20 IKED COc1cccc(-c2noc([C@H](C)NCc3cccc(OCc4ccccc4C#N)c3)n2)c1 237581097 CNQSHEINESIIME-SFHVURJKSA-N 440.503 5.047 30 20 IKED C[C@@H](Nc1cc(C#N)c([N+](=O)[O-])c(N[C@H](C)c2ccc(C#N)cc2)c1)c1ccc(C#N)cc1 301343550 JNUZTLFTTWSRAP-IAGOWNOFSA-N 436.475 5.556 30 20 IKED COCCOc1c(Cl)cccc1NC(=O)c1cccc(COc2ccccc2C#N)c1 303552747 JWDSRUHMYXPHGN-UHFFFAOYSA-N 436.895 5.068 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc3cccc(Br)c3n2)c1-c1ccccc1 428504974 UUHIMTFBDBRGEI-UHFFFAOYSA-N 446.308 5.027 30 20 IKED C[C@@H]1CN(C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c2ccccc21 434417449 VBUKCFNNYRLJRZ-IIBYNOLFSA-N 429.907 5.084 30 20 IKED N#CCCn1ncc(C(=O)N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)c1-c1ccccc1 437427536 BXYUXKMCKBYILS-KESTWPANSA-N 438.453 5.159 30 20 IKED CC(=O)N[C@H](CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccc(C)cc1 437457965 GKJWBWUIPWSFIM-JOCHJYFZSA-N 431.467 5.004 30 20 IKED CCCc1c(NC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)cnn1-c1cccc(C#N)c1 440099237 JVEMSRDQFMZSBS-UHFFFAOYSA-N 447.514 5.072 30 20 IKED N#CCC[C@@H](NC(=O)N(Cc1cc(Br)ccc1F)C1CC1)c1ccccc1 440244676 SJWWZTJLJNEWAK-HXUWFJFHSA-N 430.321 5.307 30 20 IKED O=C(Nc1c(F)cc(Br)cc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 443878530 MKKCDSKQBQNADM-UHFFFAOYSA-N 448.107 6.017 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 448207215 XGKRDYPRVHLSNM-MBSDFSHPSA-N 435.955 5.093 30 20 IKED C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 460391011 XQFWRLKOFMPOHI-LJQANCHMSA-N 449.555 5.524 30 20 IKED N#C[C@H](C(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1cc(C(F)(F)F)ccn1 464414086 GKNDIDFLTRGMMI-INIZCTEOSA-N 438.434 5.505 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccccc2OCc2cscn2)cc1 464924565 FJBGCOCTAUVMCU-UHFFFAOYSA-N 441.512 5.947 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(F)cc2OCC2CC2)cc1C 465462592 FNNFNXDXJRWANH-UHFFFAOYSA-N 432.499 5.261 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)cc1 466217576 NNASSJOFHQGZAZ-GOSISDBHSA-N 446.334 5.063 30 20 IKED CCCn1c(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc2ccccc21 469072773 XDSXYONCAVEOKY-INIZCTEOSA-N 430.533 5.130 30 20 IKED N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1 470741699 ZWNJWGVQZCIPIS-INIZCTEOSA-N 441.343 5.233 30 20 IKED Cc1nnc(-c2cc(F)ccc2NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)o1 471391423 JSMQJSLPLDDJBB-UHFFFAOYSA-N 448.841 5.754 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC=C(c2c(F)cccc2F)CC1 473148608 AXBCEEVNZVSNQU-INIZCTEOSA-N 427.520 5.087 30 20 IKED Cc1nc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)oc1-c1ccc(Cl)cc1 473818276 KQMMOGKBNKIZDH-CQSZACIVSA-N 440.956 5.877 30 20 IKED COc1ccc(-c2csc(CNC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)c2)cc1 474488313 IFYQGSKLOJVSNG-UHFFFAOYSA-N 447.560 5.048 30 20 IKED O=C(NCC#Cc1ccccc1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 477169951 WJLHIEJOAIQMLD-GMWOYJHMSA-N 443.431 5.277 30 20 IKED Cc1nc(-c2ccccc2NC(=O)c2cccc(COc3ccccc3C#N)c2)cs1 477708275 REBVUWNQQUVEFS-UHFFFAOYSA-N 425.513 5.822 30 20 IKED COc1ccc(CN[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cc1OCCCC#N 478234424 MTFLYAPSLVLNDE-QGZVFWFLSA-N 434.367 5.053 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCc3c(ncn3-c3ccccc3)C2)cc1 480808981 DSVSAXUYFUEEKT-UHFFFAOYSA-N 435.487 5.126 30 20 IKED C=CCn1c(SCC(=O)Nc2cccc(SC)c2)nnc1-c1cccc(Cl)c1 481374678 QAXSGBGSLONDHS-UHFFFAOYSA-N 430.986 5.237 30 20 IKED Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1 483341671 AUVGUPJQDKAZAP-UHFFFAOYSA-N 447.560 5.158 30 20 IKED Cc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1-c1ncco1 483369342 ALYQEHJSAWRYOO-UHFFFAOYSA-N 425.513 6.066 30 20 IKED N#CCCN(C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)c1ccc2c(c1)OCCO2 486225459 VEBQCSPTMNGURQ-UHFFFAOYSA-N 436.414 5.089 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cnc(-c4ccsc4)s3)c2)cc1 486619086 MPSJNPGEQWJAFE-UHFFFAOYSA-N 431.542 5.769 30 20 IKED C=CCSc1ccccc1C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 487051908 XODBLPJWFJVFQW-UHFFFAOYSA-N 448.566 5.218 30 20 IKED Cc1ccc(C(=O)N[C@@H](CC(=O)N[C@H](CCCC#N)c2ccccc2)c2ccccc2)cc1 487214955 AFXGGGDPXNMTTK-FTJBHMTQSA-N 439.559 5.408 30 20 IKED CCCOc1c(Br)cc(C(=O)N[C@@H](CCCC#N)c2ccccc2)cc1OC 487312301 HHYWRESCUUBLKU-IBGZPJMESA-N 445.357 5.411 30 20 IKED C=CCOc1ccc(-c2nnc(SCCC(=O)Nc3ccc(Cl)cc3F)o2)cc1 489800038 GCRIBEGRUPPYMJ-UHFFFAOYSA-N 433.892 5.215 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1C 491571033 ZAJKRVDHKHKQIY-QFIPXVFZSA-N 433.939 5.976 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)Cc2ccccc2C(F)(F)F)cc1C 494063274 SRFMIOPDEXQHAT-UHFFFAOYSA-N 440.469 5.372 30 20 IKED C=CCN(CCc1ccco1)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 497646738 LPPQFWIPRLJDLX-UGKGYDQZSA-N 449.517 5.122 30 20 IKED COc1ccc(NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1Oc1ccc(C)nn1 499861871 AKSBUJVDSKDRPP-UHFFFAOYSA-N 443.385 5.120 30 20 IKED N#C[C@@H](NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1ccc(F)cc1 507382805 PWNFMQNXQMMZPQ-HXUWFJFHSA-N 442.277 5.379 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 507885109 CIECQJSZHQWERY-UHFFFAOYSA-N 433.467 5.855 30 20 IKED CC(C)(C)c1csc(C2CCN(C(=O)c3ccc(COc4ccccc4C#N)o3)CC2)n1 509684253 WOTIJUXLKHQIFV-UHFFFAOYSA-N 449.576 5.504 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](c1ccccc1)c1ccccn1 510518860 RGEXVYANZPQCQV-SANMLTNESA-N 434.499 5.965 30 20 IKED Cc1cccc([C@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2cccc(F)c2)c1 510926008 AQNSYVXVPQJMBW-MHZLTWQESA-N 427.523 5.919 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCO[C@]3(CCc4ccccc43)C2)cc1 512223233 BYVKBPZSMBPFTO-HHHXNRCGSA-N 440.568 5.165 30 20 IKED Cc1sc(NC(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)c(C#N)c1C 512977616 OZBSNBWKJUFOCC-CYBMUJFWSA-N 431.970 5.805 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)s2)cc1OC 513171485 QSQMSVKLERXIRR-CQSZACIVSA-N 447.438 5.040 30 20 IKED Cc1ccc(-n2ncc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)c2C2CC2)cc1Cl 513177882 YHXBMWADWLIPOM-MRXNPFEDSA-N 444.844 5.615 30 20 IKED Cc1ccccc1-c1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C)c2cnn(C(C)C)c2n1 513672147 ONMUTFMMYOUUNM-FQEVSTJZSA-N 448.530 5.364 30 20 IKED Cc1sc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)nc1-c1ccc(F)cc1 517653643 YLFYDFHGUNRQJO-UHFFFAOYSA-N 430.464 5.569 30 20 IKED O=C(Nc1cc(F)cc(F)c1F)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 517982522 GWNSOXQFMPXEHU-UHFFFAOYSA-N 447.253 5.238 30 20 IKED COC(=O)c1cccc(C#Cc2cccc(NC(=O)N(C)[C@@H](C)c3sc(C)nc3C)c2)c1 519343006 TWEQKMBDVCQIRD-KRWDZBQOSA-N 447.560 5.171 30 20 IKED Cc1ccc(I)c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 519515792 WURARVHHBLLPEN-ZDUSSCGKSA-N 436.318 5.246 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc(OC)c1OC 520100442 KPHGYGVCYJHLPR-UHFFFAOYSA-N 438.911 5.312 30 20 IKED CCCN(Cc1ccc(C)cc1)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 520191901 RCGSDZIFYWGRLR-UHFFFAOYSA-N 427.504 5.036 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3nnc(Cc4ccccc4F)s3)cc2)cc1 520316326 HEVGLQHARREGCG-UHFFFAOYSA-N 444.491 5.379 30 20 IKED COc1cc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)ccc1OCCC(C)C 520476420 WVOHHGIEOOKYLF-HXUWFJFHSA-N 437.584 5.673 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C3CCN(c4nc5ccccc5o4)CC3)c2)cc1 520533123 ALRZETAAJOQSLM-UHFFFAOYSA-N 438.487 5.347 30 20 IKED CC(C)c1ccc(OC2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)cc1 521808744 LJRVNEOWSUPFBV-IBGZPJMESA-N 437.609 6.280 30 20 IKED O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)N[C@H](CC(F)(F)F)c1ccccc1 524664627 VNQTYXAAFJXFGN-CYBMUJFWSA-N 439.331 5.176 30 20 IKED COc1ccc(Br)cc1CNC(=O)Nc1ccccc1S[C@@H](C)CC#N 532636531 JQRFHOJJZJFBQM-ZDUSSCGKSA-N 434.359 5.174 30 20 IKED N#Cc1ccc(CN(C(=O)NCc2ccc(COCc3ccccc3)cc2)C2CC2)cc1 543349484 MCTOGNCZVGNOHF-UHFFFAOYSA-N 425.532 5.149 30 20 IKED Cc1cc2nc(C)c(CCC(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)c(C)n2n1 543957131 QONTUESRHCRKRP-GOSISDBHSA-N 437.547 5.003 30 20 IKED COC(=O)c1cccc(CNc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)c1C#N 545210685 HMSJZJGQHCJEAN-UHFFFAOYSA-N 437.858 5.002 30 20 IKED Cc1nn(CCC#N)c(C)c1CCc1nc(-c2ccc(Nc3ccc(Cl)cc3)cc2)no1 546545573 XNMMJEQUSQBJMF-UHFFFAOYSA-N 446.942 5.646 30 20 IKED N#Cc1nc(N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)ccc1C(F)(F)F 553223947 IHEFHTRKTSSMIZ-SFHVURJKSA-N 429.364 5.571 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(N2CCc3cc(F)ccc32)CC1 558757501 GLSKGODHNWYBRQ-QGZVFWFLSA-N 438.572 5.136 30 20 IKED C=CCn1c(S[C@@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)nnc1-c1ccccc1C 558844218 XOMMZLPMCHDXGR-LAUBAEHRSA-N 436.556 5.033 30 20 IKED CNc1ccc(C#N)cc1NC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 562858542 VYPJPSKBXQZUDB-CYBMUJFWSA-N 426.929 5.169 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)C1CCC(NC(=O)CC2CCCC2)CC1 565323678 CBIAOJQJTQVRBU-UHFFFAOYSA-N 443.591 5.347 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(Br)cc1F 572320090 PJWLCLBUCPOUSA-QWHCGFSZSA-N 436.350 5.865 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](C)C[C@@H]2c2ccccc2OC)cc1 577731369 SJASBNQOJLZURP-GBXCKJPGSA-N 447.579 5.515 30 20 IKED Cc1csc(Oc2ccc(NC(=O)c3cn(CCCC#N)c4ccccc34)cc2F)n1 579988317 TVQUIRGJZZRRCM-UHFFFAOYSA-N 434.496 5.894 30 20 IKED C[C@@H]1CN(CC(=O)Nc2sc3c(c2C#N)C=C(/C=C/c2ccccn2)CC3(C)C)[C@@H]1C 590196573 XUXZODXCUOAJDP-PIIXRYACSA-N 432.593 5.072 30 20 IKED CCOc1cc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc(OCC)c1OCC 603969327 MNCMFDIIWDNYJE-UHFFFAOYSA-N 436.533 5.735 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccc(OC(C)(C)C)cc2)cc1C 604450238 CRUVHVNFZQTXJI-UHFFFAOYSA-N 430.552 5.188 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OCc2cccc(F)c2)cc1C 609080192 VUZINBSXTXTEFL-UHFFFAOYSA-N 429.495 5.805 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1coc(-c2cccc(F)c2)n1 609388777 JCVMBUCZUUQDIV-OAHLLOKOSA-N 441.553 5.604 30 20 IKED CN(C(=O)c1ccc(Cl)c(NC(=O)CSc2ccc(C#N)cc2)c1)c1ccccc1 609978618 FIZCGNQUEGXTBK-UHFFFAOYSA-N 435.936 5.219 30 20 IKED C[C@@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@@H](c2ccc(F)cc2)O1 610204997 DNYLJBWTASBSJC-GYCJOSAFSA-N 434.442 5.231 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)COCc2nc3ccccc3s2)cc1F 610313494 GBGFPRDMZBSFFT-UHFFFAOYSA-N 433.464 5.255 30 20 IKED C=CCN(C(=O)c1cccc(OCc2cccnc2)c1)c1nc(-c2ccccc2)cs1 611762656 MUOURHFQPUPHGQ-UHFFFAOYSA-N 427.529 5.617 30 20 IKED CCCc1c(NC(=O)c2cccc(Oc3nccs3)c2)cnn1-c1cccc(C#N)c1 615291971 ZAMKENANOFBTGW-UHFFFAOYSA-N 429.505 5.198 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2cccc(C)c2)n1CC=C 617943786 LGBBAHQYXYOADB-SFHVURJKSA-N 438.622 5.196 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 618788562 XBHIZMHJBVZNON-NRFANRHFSA-N 436.437 5.057 30 20 IKED C[C@H](CC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 619620675 JOAQUKIPICLTIV-SWHYSGLUSA-N 449.357 6.225 30 20 IKED Cc1cc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)cc(C(F)(F)F)c1 683134648 ZJFNSBJSGFXSSB-UHFFFAOYSA-N 432.299 5.005 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2Cc3ccccc3-c3ccccc3C2)c1=S 726186197 SVZNZFMZOQEDBJ-UHFFFAOYSA-N 425.561 5.302 30 20 IKED COc1ccc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1NC(C)=O 726428117 FEMSBHHXMUIVJG-YVMONPNESA-N 440.839 5.371 30 20 IKED N#Cc1ccc(NC(=S)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)cc1Cl 726468008 PNSWFHRITOPUEU-UHFFFAOYSA-N 438.915 5.341 30 20 IKED C#Cc1cccc(N2C(=O)/C(=C\c3csc(COc4ccc(C)cc4)n3)SC2=S)c1 726626561 IFQROVHMUDOTFV-UDWIEESQSA-N 448.594 5.418 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(CCC3CCCCC3)o2)cc1 727265618 HNFWTQNEWVSAQM-SFHVURJKSA-N 426.586 5.318 30 20 IKED COc1ccc(N=C2NN=C(c3cc(C)n(Cc4cccs4)c3C)CS2)cc1F 727462261 AROOAAHPFKFXGQ-UHFFFAOYSA-N 428.558 5.091 30 20 IKED C#Cc1cccc(NC(=S)Nc2ccc(OC)c(OCc3ccc4ccccc4n3)c2)c1 727980499 QKYYLXNIVOXYKJ-UHFFFAOYSA-N 439.540 5.613 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)/C=C\c1ccc(Br)o1 727997192 UFYGVQLGDKFGNP-YFHOEESVSA-N 437.293 5.453 30 20 IKED N#C[C@@H](C(=O)C[C@H](c1ccccc1)C(F)(F)F)C(=O)Nc1ccc(Cl)cc1Cl 728766669 FNBJMGFKUYTXCU-UONOGXRCSA-N 429.225 5.377 30 20 IKED CC[C@H](C)Oc1ccccc1/C=C\C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 729893133 YZQCFTAEAXYQCM-MICBKMGRSA-N 432.545 5.886 30 20 IKED Cc1cc(COc2ccc(/C=C/C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)oc1C(=O)O 729937360 PUFHJKHETBCYTK-RUDMXATFSA-N 441.823 5.323 30 20 IKED N#C[C@H](C(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1)c1ccc2ccccc2n1 730071538 PCIXLFUQJDTPDC-DFBJGRDBSA-N 430.479 6.223 30 20 IKED N#C[C@H](C(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1nc2ccccc2s1 730071543 PFVCIWCHCIBUJH-OPAMFIHVSA-N 436.508 6.284 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cc1ccc(Cl)cc1Cl 731061651 FMXRGVGWNVCPSD-CYBMUJFWSA-N 437.348 5.112 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H](C)Sc1ccccc1Cl 731074215 LOAKJTVWYJLJTA-HUUCEWRRSA-N 448.997 5.397 30 20 IKED O=C(Nc1cccnc1)/C(=C\c1ccc(OC(F)F)c(Cl)c1)C(=O)c1ccccc1 731489357 DPORTYUHXUZOPB-BOPFTXTBSA-N 428.822 5.241 30 20 IKED CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 731966940 OPELWKXNLHBYIR-UHFFFAOYSA-N 435.867 5.379 30 20 IKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)OCc1ccc(OCC#N)cc1 733378798 BLXDUGPFULTFOB-UHFFFAOYSA-N 442.471 5.283 30 20 IKED Cc1cc(S(=O)(=O)O[C@H](Cc2ccc(Cl)cc2)C(F)(F)F)c2ncccc2c1 734153605 KPZPZRLEGMAKMI-QGZVFWFLSA-N 429.847 5.076 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1nc2ccccc2s1 734207266 PCTGRDLRDBPAAG-MRXNPFEDSA-N 428.517 6.151 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)OCc3nnc(-c4ccc(Cl)cc4)o3)c2)c1 734321456 OIVDYMHVCXEESI-UHFFFAOYSA-N 445.862 5.198 30 20 IKED O=C(/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(S(=O)(=O)C(F)F)cc1 735232222 JPBQUYIZUWBNLC-XFFZJAGNSA-N 449.456 5.216 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 735517799 CXPRXVGBNUSKOH-OAQYLSRUSA-N 446.478 5.017 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)NCc3ccnc(Oc4ccccc4)c3)c2)s1 740034749 XUKNJAPSKVMZTD-UHFFFAOYSA-N 440.528 5.473 30 20 IKED COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1cccc(OCC#N)c1)CCO2 743102897 KYKCCQMFLQOSRL-DEOSSOPVSA-N 443.503 5.155 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 744028009 GXRJMZOFVHZWRQ-HNNXBMFYSA-N 428.797 5.385 30 20 IKED C[C@@H](OC(=O)c1cccc(OCc2ccccc2C#N)c1)c1nc(Cc2ccccc2)no1 744854374 PHFHYJOOLOFMLH-GOSISDBHSA-N 439.471 5.029 30 20 IKED COc1cc(COC(=O)[C@@H]2CCSc3ccccc32)ccc1OCc1cccc(C#N)c1 745429256 MADBVZPTJYITED-JOCHJYFZSA-N 445.540 5.469 30 20 IKED O=C(/C=C\c1ncc(-c2cccc(Br)c2)[nH]1)c1ccc(-c2ccncc2)cc1 745989901 GFOJSDSYFWODSE-HJWRWDBZSA-N 430.305 5.797 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccc(Cl)c(Cl)c1 747103654 DOXLBSIDRDGFRY-GXFFZTMASA-N 446.359 5.562 30 20 IKED COc1ccc(CNC(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)cc1C#N 747248937 KSTPJTYTQXWYAA-OAHLLOKOSA-N 436.364 5.174 30 20 IKED N#CCOc1ccccc1C(=O)Nc1nc(-c2ccc(OCc3ccccc3)cc2)cs1 749811868 YZJDKUUDEBHTDF-UHFFFAOYSA-N 441.512 5.544 30 20 IKED N#C[C@@H](C(=O)[C@@H]1OCCc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 750316182 QWLSEGDJSVVWBZ-OXJNMPFZSA-N 429.328 5.607 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H](C)c1ccc2ccccc2c1 753522345 YRACJRZGFNNAGP-ROUUACIJSA-N 432.545 5.519 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2COc3ccc(Br)cc32)cc1 758409705 LWNIVQUCSMEPRF-NHCUHLMSSA-N 433.305 5.219 30 20 IKED COc1cc(F)c(C(=O)/C=C\c2ccc(OC(F)F)c(Br)c2)cc1OC 768267915 YFDGJGIUICUCLF-HYXAFXHYSA-N 431.204 5.103 30 20 IKED N#C[C@@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)c1nc(-c2ccccc2)cs1 769943756 ADOBMFJDYSNBMG-IUPCOXQMSA-N 432.854 6.286 30 20 IKED CCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 771757743 PZJHBRKTLQVZEE-SXOMAYOGSA-N 438.575 5.470 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H]2CCCc3c(Cl)sc(Cl)c32)ccc1OC 772978257 DZDHOMMGPFQSLC-ZFWWWQNUSA-N 425.381 5.912 30 20 IKED Cc1ccc(/C=C\C(=O)C(c2nc3ccccc3s2)c2nc3ccccc3s2)cn1 773942884 IGRQCXNPQBRGMS-SEYXRHQNSA-N 427.554 6.024 30 20 IKED N#C[C@H](C(=O)COc1ccc(Oc2ccccn2)cc1)c1nc2cc(Cl)ccc2s1 780314632 JTLHHDOGETWTET-QGZVFWFLSA-N 435.892 5.392 30 20 IKED COc1ccc(COCc2cccc(NC(=O)Nc3ccccc3O[C@H](C)C#N)c2)cc1 780531260 YPWFNBWWLMVLBT-GOSISDBHSA-N 431.492 5.347 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)NCCOc1c(Cl)cc(Cl)cc1Cl 780671665 XAKRTVUBYSGXHM-LLVKDONJSA-N 428.703 5.138 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)/C=C\c2ccc3ccc(Cl)cc3n2)c1C#N 782223239 LOUPROVLYROLSY-QXMHVHEDSA-N 445.935 5.319 30 20 IKED Cc1cc(Br)cc2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)oc12 783077357 PNBUIACVXHSWSA-CYBMUJFWSA-N 449.663 5.257 30 20 IKED CCC(=O)c1cc(C(=O)N(C)[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)ccc1F 783530538 AZIKONTYZAIVJN-QGZVFWFLSA-N 435.339 5.813 30 20 IKED C=C(C)[C@H](CC(=O)Nc1cc(Br)cc(C)c1NC(=O)OC(C)(C)C)OCC 784690298 JGYGKOZFXKUEAA-INIZCTEOSA-N 441.366 5.414 30 20 IKED N#Cc1ccc(SCC(=O)O[C@@H](c2ccccc2)c2nc(-c3ccccc3)no2)cc1 787693239 UCDPWQFAIWDQHM-QFIPXVFZSA-N 427.485 5.033 30 20 IKED CC(=NNc1ccc2c(=O)[nH]ccc2c1)c1cnn(-c2ccc(Cl)cc2Cl)c1C 789078109 YGBVDCRUIHLBSU-UHFFFAOYSA-N 426.307 5.165 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2cnn(-c3ccc(C)cc3)c2C(C)C)cc1C#N 792338824 XJFIJEQWVSJGFC-UHFFFAOYSA-N 446.511 5.388 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnn(Cc3ccccc3)c2Cl)cc1 795203413 AZSCTYKBZHLIBB-QFIPXVFZSA-N 426.907 5.493 30 20 IKED N#Cc1sc(N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)nc1Cl 804620242 LVTSGDLLCFUVSN-NSHDSACASA-N 441.784 5.284 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1cc(C(F)(F)F)ccn1 813216681 WUOGBOUWCWHFPV-LLVKDONJSA-N 427.860 5.358 30 20 IKED CC(=NNc1nc(-c2ccccn2)nc2c1CCC2)c1sc(Cc2ccccc2)nc1C 814858494 ZWFBMLHTKKTFJG-UHFFFAOYSA-N 440.576 5.219 30 20 IKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)c1 837383669 OXCLGUCSUVTBGV-AVRDEDQJSA-N 444.560 5.112 30 20 IKED Clc1ccc(CSc2nncn2N=Cc2cccc(OCc3ccccn3)c2)cc1 915955157 BDLZIMOAODAQNO-UHFFFAOYSA-N 435.940 5.080 30 20 IKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1C1CCCC1 916216785 YSXORBPHNVUZSC-HXUWFJFHSA-N 425.529 5.037 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)s1 917041079 PFWITMJEFZROTH-GFCCVEGCSA-N 428.489 5.344 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2Cc2ccccc2Cl)cc1 919904671 RQCBGTLLUKKCRL-ZEQRLZLVSA-N 429.951 6.234 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 920106181 UCPMYCWALQITHX-NRFANRHFSA-N 439.446 5.073 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3cccc(Br)c3)n2)cc1 920140692 JGZAXMNGDAAELY-SFHVURJKSA-N 436.334 5.253 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc(O)c(Cl)c1)C(=O)c1ccccc1 921265431 FRVJKTPSRRZMNC-RCCKNPSSSA-N 433.935 6.075 30 20 IKED CC(C)CCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)C(C)C 1606958017 LGFKNNZUIVVFPX-UHFFFAOYSA-N 449.603 5.042 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)cc3F)CCC2)cc1 1786676284 FLPMXHXIFGUOCX-UHFFFAOYSA-N 432.948 5.146 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)CCCC(F)(F)F)CCC3)cc2)c1 1790255861 WSPZRFWUXLOJIF-UHFFFAOYSA-N 429.442 5.039 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3scnc3c2)[nH]n1 1819307225 QHWMYIMETHAIHN-FXAWDEMLSA-N 449.580 5.094 30 20 IKED CC(C)(C)CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(C#N)CCC2)[nH]n1 1822116895 MQPOVLVVMKYKIY-LJQANCHMSA-N 427.593 5.092 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)s2)CC1 1825853883 GBELFYUBXKWKNB-RBUKOAKNSA-N 435.033 5.403 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)noc2-c2ccccc2)CC1 1831370944 PHFNJVDNDHXGQT-CVDCTZTESA-N 449.595 5.096 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/Sc2ccc(C)cc2)CC1 1831372903 KWJJVLSQSRVYIV-PKRRCUFJSA-N 440.653 5.433 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccc(C)c(F)c2)cc1 11083152 INATUIQXBJDQGH-UHFFFAOYSA-O 449.615 6.548 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(F)cccc2F)nnc1-c1ccc(Cl)cc1 16862772 VLKMAHNQZBXPAP-LBPRGKRZSA-N 434.899 5.182 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)nnc1C1CC1 21143719 JBJGRARFOFDUKQ-NRFANRHFSA-N 434.565 5.131 30 20 IKED Cc1cc(N[C@H](c2ccc(Cl)cc2)c2nccn2C)n2c(nc3ccccc32)c1C#N 25251909 VMWQWXHOCZJQCH-JOCHJYFZSA-N 426.911 5.256 30 20 IKED COc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(OC)c1OC 60739715 WKMQPZMHWJFKSV-LJQANCHMSA-N 436.895 5.274 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1c(C)nn(CC(C)C)c1C 72025276 BHWRTTMURFHEOP-UHFFFAOYSA-N 430.552 5.700 30 20 IKED N#Cc1cc(NC(=O)CCCCc2nc3ccccc3s2)ccc1OCC(F)(F)F 107567319 JMWBGPYOLJXROL-UHFFFAOYSA-N 433.455 5.461 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(NC(=O)C2CC2)cc1 303296929 CDNZCEUVXNCXLF-QGZVFWFLSA-N 440.503 5.582 30 20 IKED C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)c1ccc(C#N)cc1 303740030 YUDHNRQXXQHPFU-VQIMIIECSA-N 429.549 5.330 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 427735635 RXPQOZLOOSRXFD-UHFFFAOYSA-N 449.269 5.107 30 20 IKED CN(Cc1ccccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccccc1 432725077 KTARQZYSGVBENJ-UHFFFAOYSA-N 440.547 5.270 30 20 IKED O=S(=O)(Cc1ccccc1NCC#Cc1ccc(OC(F)(F)F)cc1)c1ccccc1 433503733 WTRZDGWKQRQVPE-UHFFFAOYSA-N 445.462 5.023 30 20 IKED Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 436152568 MXRLIYXVNAOUCF-LJQANCHMSA-N 442.302 5.042 30 20 IKED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 436387701 MPXFSNCJXOEHDS-IIBYNOLFSA-N 438.915 5.178 30 20 IKED C=CCc1cc(CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc(OC)c1O 436402021 YVQXJEHJMIAFNE-QGZVFWFLSA-N 433.392 5.931 30 20 IKED CCOCCOc1ccc(Cl)cc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 437975942 GNPOWWUAQXGLQR-TZIWHRDSSA-N 427.932 5.059 30 20 IKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438666399 USOBKVHBDJITAH-OAHLLOKOSA-N 446.507 6.324 30 20 IKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc(C#N)cc1C 439129638 RJUKUQCNBDBXDD-UHFFFAOYSA-N 437.421 5.699 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3ccc(CC(F)(F)F)cc3)c2)cc1 439399475 XGBFYQGLKXJKRM-UHFFFAOYSA-N 439.393 5.033 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@H](C)c1cc(F)c(Cl)cc1Cl 439539707 DRUKILIGNXSYEY-ZIAGYGMSSA-N 438.330 5.127 30 20 IKED CC(C)(c1noc(CCC(=O)N(CCC#N)c2ccccc2)n1)c1ccc(Cl)cc1F 445589768 XBRFBDBXTKPNCT-UHFFFAOYSA-N 440.906 5.067 30 20 IKED COc1ccccc1-c1cccc(NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)c1 446150640 ZTHBDXCVYSSOML-UHFFFAOYSA-N 442.519 5.141 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(Cc3cccc(OCCCC#N)c3)C2)n1 447068069 NLGMLTCRDXEUOM-OAQYLSRUSA-N 447.604 5.881 30 20 IKED COCCN(Cc1cncs1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 448015565 GMIZKOYACHFWKE-HXUWFJFHSA-N 440.956 5.132 30 20 IKED Cc1ccc(-c2nnc(N3CC=C(c4ccc(C#N)cc4)CC3)n2C[C@@H]2CCCCO2)s1 461847769 DHXZJFQGGKMWJI-QFIPXVFZSA-N 445.592 5.050 30 20 IKED C[C@@H](CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(F)c(Br)c1 462600996 HINFMDKRCLQUGV-HNNXBMFYSA-N 427.317 5.269 30 20 IKED N#Cc1ccccc1Oc1ccc(NCC(=O)Nc2ccccc2Br)cc1F 463226913 NUTNKYJMPSWNLK-UHFFFAOYSA-N 440.272 5.303 30 20 IKED Cc1ccc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(OC[C@@H]2CCCO2)c1 467489984 BXRPUYLFWKBNQR-ICSRJNTNSA-N 439.581 5.269 30 20 IKED Cc1ccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cc1Oc1ncccc1Br 468611374 UUXHVYADWZKOTA-UHFFFAOYSA-N 448.320 5.487 30 20 IKED N#Cc1cccc(-c2nnc(CN[C@H](c3ccccc3)c3ccc(Cl)c(Cl)c3)o2)c1 471605360 GRQRHAPXGVMZRZ-JOCHJYFZSA-N 435.314 5.794 30 20 IKED CN(C(=O)c1ccc(Cl)c(NCc2nnc(-c3ccc(C#N)cc3)o2)c1)c1ccccc1 471667515 KFHKBJMKPFGYOT-UHFFFAOYSA-N 443.894 5.150 30 20 IKED C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(F)c(F)c1 477631979 NRQTUAGYEQJAAC-HSZRJFAPSA-N 447.441 5.001 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(Cl)cc2)nnc1-c1ccccc1C 481338409 JAFTYMXIQYFVSC-INIZCTEOSA-N 426.973 5.062 30 20 IKED CCc1nnc(-c2ccc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)cc2)o1 482484398 UCXOSXQHIWUBGS-UHFFFAOYSA-N 428.423 5.354 30 20 IKED Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 482576480 GVWGYVXTJLISNU-CQSZACIVSA-N 439.315 5.573 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3cc4ccccc4o3)o2)c1 484758650 ZCLCDKHNKJOLEY-KRWDZBQOSA-N 446.532 5.527 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)CCCOc3ccc4c(c3)NC(=O)CC4)c2)cc1 485936160 WVLGCKADYFEUBN-UHFFFAOYSA-N 441.487 5.033 30 20 IKED C=CCSc1ccccc1NC(=O)CNc1cccc(C(=O)N(C)c2ccccc2)c1 486134195 DZFLZOIRPBHJRS-UHFFFAOYSA-N 431.561 5.292 30 20 IKED C=CCSc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 486425090 POASCJJKSWLSBM-UHFFFAOYSA-N 442.993 5.862 30 20 IKED C=CCn1c(SCc2ccccc2C(C)(C)C#N)nnc1[C@H]1COc2ccccc2O1 488031731 LYHBREKSTCQBDA-OAQYLSRUSA-N 432.549 5.070 30 20 IKED C[C@@H](NC(=O)Nc1ccc(OC(F)F)cc1OC(F)F)c1nc(C(F)(F)F)cs1 488370282 VOCVRULBZHUXAE-ZCFIWIBFSA-N 447.332 5.247 30 20 IKED C=CCn1c(S[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)nnc1-c1ccccn1 488895245 HCSLYQUFLMEUNU-GOSISDBHSA-N 441.560 5.632 30 20 IKED CCN([C@H](c1ccc(C(C)C)cc1)c1cccnc1)S(=O)(=O)c1ccc(C#N)c(F)c1 489527557 XCBGRLDPIRCHGV-XMMPIXPASA-N 437.540 5.016 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2cccc(Br)c2)cc1)c1nc2ccccc2o1 492122127 JNOXECKIEBJBLY-SFHVURJKSA-N 433.261 5.873 30 20 IKED C=CCc1cc(C(=O)N(CC)[C@H](c2cccnc2)c2ccc(F)c(C)c2)cc(OC)c1OC 497887589 BGQXCAFGXWPLLG-VWLOTQADSA-N 448.538 5.527 30 20 IKED CCc1sc(=O)n(CC(=O)Nc2ccccc2S[C@H](C)CC#N)c1-c1ccccc1 498877680 VLBLOADCSNEPDP-MRXNPFEDSA-N 437.590 5.172 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)c1 499645054 CCFQRGFXPKOCPV-UHFFFAOYSA-N 437.455 5.235 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c1 502135706 GSNWWFWGGLRCDG-KRWDZBQOSA-N 445.450 5.030 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(OC(F)F)cc3OC(F)F)CC2)cc1 503607778 JBEXCSJYBAEETI-UHFFFAOYSA-N 435.377 5.082 30 20 IKED CN(C[C@H]1OCCc2ccccc21)C(=O)c1ccccc1SCc1ccc(C#N)cc1 506289577 OPUFJDVDBYVUCJ-XMMPIXPASA-N 428.557 5.237 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)cc1 508143262 ODQSSBYFXUWTFD-UHFFFAOYSA-N 446.526 5.201 30 20 IKED C=CCc1ccc(OCC(=O)N2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)c(OC)c1 509886613 VDGBVNLIAFDWPK-NRFANRHFSA-N 447.579 5.139 30 20 IKED C=CCOc1cccc(NC(=O)N[C@@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)c1 510752809 YLBZRDTVWMQITC-SFHVURJKSA-N 447.510 5.454 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(OC(F)F)cc2)cc1 511324029 PRQVOQIZBBQMNX-UHFFFAOYSA-N 437.446 5.255 30 20 IKED CC(C)CCSc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1[N+](=O)[O-] 513654022 IUMYGRQRQPGFNQ-HNNXBMFYSA-N 425.535 5.833 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2CCSc3c(F)cccc32)cc1 514037453 FGHGPFXMYUQSKX-QHCPKHFHSA-N 449.526 5.785 30 20 IKED Cc1csc(Sc2ccc(C(=O)Nc3ccc(Cl)c(C#N)c3)cc2[N+](=O)[O-])n1 514740749 NHCKBWMFGQYJFD-UHFFFAOYSA-N 430.898 5.288 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1cccc(Cl)c1 515540327 LBRJZTJPAJCSJG-OAHLLOKOSA-N 425.826 5.069 30 20 IKED N#C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Cl)c(Cl)c1 517605583 LVDILBVXTLNAOC-HNNXBMFYSA-N 433.276 5.020 30 20 IKED C[C@H](C#N)CN(C)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 518029451 MEGWHBDSODVFRL-QGZVFWFLSA-N 443.938 5.032 30 20 IKED COc1ccc(C#N)cc1NC(=O)[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1 518046930 WDOLNYSTFFWXRP-NRFANRHFSA-N 427.287 5.632 30 20 IKED COc1ccc(-c2cc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)sc2C)cc1 520271401 KMHJXZTZBJFASJ-IBGZPJMESA-N 430.451 5.746 30 20 IKED Cc1c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)sc2nc(C(F)(F)F)ccc12 521327135 SXNADMFPYXIUHW-NSHDSACASA-N 435.496 6.270 30 20 IKED Cc1cc(COc2ccc(C(=O)Nc3sc(C)c(C)c3C#N)cc2Br)on1 521385390 UXEOOOJXXRJVAA-UHFFFAOYSA-N 446.326 5.127 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccccc3)CC3CCOCC3)cc2)c1 523589959 NGJNHUBTHJQIGQ-UHFFFAOYSA-N 441.531 5.811 30 20 IKED Cc1noc2nc(C(C)C)cc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c12 523959923 CYVBPJVADZRFAY-KRWDZBQOSA-N 427.489 5.140 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccccc2N2CCC(O)CC2)c1 523980862 QTDLTKDYSQEERZ-UHFFFAOYSA-N 447.922 5.217 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(c2ccc(Cl)cc2)CCCC1 524018873 YELWIYKJLAXAIG-UHFFFAOYSA-N 431.923 6.158 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)COc1ccc(C(F)(F)F)cc1 524390084 QTHORXQQOSABED-UHFFFAOYSA-N 440.421 5.482 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c[nH]cc1-c1ccc(Cl)s1 524422634 ZHBKVHQZLQMGJS-UHFFFAOYSA-N 447.947 6.408 30 20 IKED COc1ccc([C@@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C2CC2)cc1 524523130 FTFVJKOMAONMPR-SANMLTNESA-N 443.522 5.569 30 20 IKED CCN(C(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1)c1ccc(C#N)c(Cl)c1 538072774 PSKZYLNNORQHBP-UHFFFAOYSA-N 435.886 5.578 30 20 IKED CN(C(=O)c1ccc(C(F)(F)F)nc1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 541250741 BNIUAUNJNVPWLF-CYBMUJFWSA-N 430.270 5.495 30 20 IKED N#Cc1ccc(/C=C\c2nc(Cc3nc(O)c4c(-c5ccccc5)csc4n3)no2)cc1 544920757 NGYOFQMUYFUEOA-KHPPLWFESA-N 437.484 5.080 30 20 IKED CCOc1cc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1C 551469914 WHEBRSDBHYQULE-OAQYLSRUSA-N 447.922 5.280 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 557727544 HDIICKOJJNMOKW-INIZCTEOSA-N 440.544 5.103 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 558995475 DUPLDPXVFZESNR-OCFYOKIWSA-N 444.579 5.066 30 20 IKED C[C@@H]1CCC[C@H](OCCCCCC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)C1 581267551 KOMIHGJBSUKDBT-KNQAVFIVSA-N 430.564 5.223 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(-c2ccc3c(c2)CCC3)n[nH]1 581461745 HVDMMTLLEQBBEV-HNNXBMFYSA-N 449.605 5.085 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(Cl)c3OCC(F)F)cc2)nc1 581968850 CFQPPHVFNTYJDO-UHFFFAOYSA-N 429.810 5.295 30 20 IKED N#Cc1ccc(-c2nnc(COc3c(Cl)cc(Cl)cc3Br)o2)cc1 582747126 FIXHMFQDLJGQMG-UHFFFAOYSA-N 425.069 5.257 30 20 IKED CC[C@@H](C)n1ncc2c(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cc(C)nc21 587988767 OIVQMRJSRRKXBI-VQIMIIECSA-N 429.549 5.633 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)c1 589741340 BOYBPCISDMYHIA-UHFFFAOYSA-N 448.592 5.115 30 20 IKED COCCCn1c(SCc2cn3ccccc3c2C#N)nnc1-c1ccccc1Cl 589958377 BLCNAFRSBCYXIJ-UHFFFAOYSA-N 437.956 5.052 30 20 IKED CC(C)C(=O)Nc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 600884767 MNUMTLRZLBSVLE-UHFFFAOYSA-N 429.545 5.697 30 20 IKED Cc1cc(C)c2cc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)sc2n1 603834866 VCAUGWABYVZNTR-UHFFFAOYSA-N 437.575 5.181 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2OCCc2ccccc2)o1 603960742 RPZSGPFDAZZEMB-UHFFFAOYSA-N 438.483 5.604 30 20 IKED CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(OCCCC#N)c1 603971066 FJQGQDUIWUUDGT-QHCPKHFHSA-N 435.568 5.060 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(Br)cc2F)cc1 604003588 GIAUHTKCZSQXTA-UHFFFAOYSA-N 439.284 5.486 30 20 IKED N#Cc1cnc2ccc(OC(F)F)cc2c1N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 604303657 AWLVQMOKZVJUFV-QWRGUYRKSA-N 439.306 5.275 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(OCC2CCCCC2)CC1 607873689 UMLRCDJSQAEQAT-UHFFFAOYSA-N 425.491 5.472 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(F)cc1-c1nc2ccccc2s1 609304525 JSMFEGKWEVTTPG-UHFFFAOYSA-N 446.507 5.263 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N[C@H](c3ccccc3)c3nccs3)c2)cc1 609644104 VRDQIZYZMDYBCG-HSZRJFAPSA-N 425.513 5.113 30 20 IKED C[C@H](c1ccccc1)N1CCC(NC(=O)c2ccccc2Sc2ccccc2C#N)CC1 609696217 OTJGFJXDZNLWNP-HXUWFJFHSA-N 441.600 5.665 30 20 IKED COC[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(C(F)(F)F)c1 609827088 UJYXPQVHLHYCDD-RDTXWAMCSA-N 437.487 5.609 30 20 IKED CC[C@@H](c1ccc(F)cc1)[S@](=O)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 610012088 DMSDHLYVYOHEKN-VVFBEHOQSA-N 437.536 5.685 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc1 610224356 ZZWLDXSRVFRZEO-ZWKOTPCHSA-N 427.253 5.560 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(Oc3ccccc3Cl)cc2)n1 610468067 ZUNIWRPYBYAXME-HNNXBMFYSA-N 426.881 5.256 30 20 IKED C[C@@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(F)c(Br)c1 611240175 HWBTXQZCAMXSKF-CQSZACIVSA-N 428.305 5.020 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)c1nc(Cc2nc3cc(C(F)(F)F)ccc3s2)no1 612882005 VVPUCQJBPITSLE-LLVKDONJSA-N 430.411 5.301 30 20 IKED C=CCOc1ccc(C(=O)N[C@@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1OC 613848292 FKQLAUSSBQJDLO-SFHVURJKSA-N 445.519 5.395 30 20 IKED C=CCn1c(S[C@@H](C(=O)NC2CCCCCC2)C(C)C)nnc1-c1ccccc1OC 639429321 JSIUXIKVBZSVGA-OAQYLSRUSA-N 442.629 5.095 30 20 IKED Fc1ccc(CCN2CCC(N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)CC2)cc1 643367023 XVEBVKFLVVTGTK-MNZLEMJZSA-N 440.447 5.332 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)c1C(F)F 676165656 SGUKWVZOVPPXQA-KOLCDFICSA-N 441.322 5.164 30 20 IKED COc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c(Cl)c1 679554686 RBDLXMGUGICGKA-UHFFFAOYSA-N 435.867 5.009 30 20 IKED O=C(CCc1cccc(C(F)(F)F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 680968405 LTJODHFXJNTKPD-WDNDVIMCSA-N 435.330 5.664 30 20 IKED COc1ccc(-c2ncc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)s2)cc1OC 683689735 KTJJPRQYICCMHH-CYBMUJFWSA-N 439.493 5.066 30 20 IKED C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 685551064 OUVPKSAXXLUYNR-OXQOHEQNSA-N 442.947 5.338 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1ccc(N(C)C)cc1 728061987 FMUMDNIHPFKWFG-KRWDZBQOSA-N 448.954 5.296 30 20 IKED C#Cc1cccc(N(C(=O)c2ccc(C(=O)N(c3cccc(C#C)c3)C(C)C)nc2)C(C)C)c1 728247056 QNBBGRWPXQCBKN-UHFFFAOYSA-N 449.554 5.155 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)c2)cc1 728766551 BUVQXHLMFCILRF-XMMPIXPASA-N 431.451 5.465 30 20 IKED N#Cc1ccc(CCC(=O)O[C@@H](c2cc(Br)ccc2F)C(F)(F)F)cc1 730406645 WKCPYUHMNDSGHM-KRWDZBQOSA-N 430.195 5.239 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(CCCCCC(=O)O)C(=O)N[C@H]1c1ccccc1 731434713 QXAGSOCJLREJPJ-QFIPXVFZSA-N 440.927 5.052 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cc2)cc1 732494768 LYNAWXAATOHSPD-VWLOTQADSA-N 445.478 5.659 30 20 IKED Cc1cc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)ccc1N1CCSCC1 734322302 YVBQNYVZSXYIAV-UHFFFAOYSA-N 443.572 5.251 30 20 IKED C=CC[C@H](NC(=O)N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C)c1ccncc1 734668992 KJLAFRWAQMPSJW-KXBFYZLASA-N 426.973 5.845 30 20 IKED N#Cc1cccc(-c2nnc(CSc3nn(-c4ccc(Cl)cc4)c(=S)s3)o2)c1 741846727 IOKHGPBIXYFATJ-UHFFFAOYSA-N 443.966 5.531 30 20 IKED C#CCOc1ccc(F)cc1NCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 742263181 SJRDMLUUVNMAHB-UHFFFAOYSA-N 436.097 5.502 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1NC(=O)CC(C)C 744031515 ZKBTVCGSLJLISL-INIZCTEOSA-N 446.334 5.248 30 20 IKED Cn1cc(/C=C\C(=O)c2ccc(-c3ccncc3)cc2)c(-c2ccc3c(c2)OCCCO3)n1 745990772 XSHDXMJMKWNQJU-CLFYSBASSA-N 437.499 5.207 30 20 IKED CCN(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)[C@H](C)c1cccc(C(F)(F)F)c1 746143674 FOPVDYZRLREJKL-DNVCBOLYSA-N 438.453 5.326 30 20 IKED C=CCOc1ccccc1CN(C(=O)CCSc1n[nH]c(C)n1)c1ccc(C)c(C)c1 746244583 SZJYXIPZXBONTC-UHFFFAOYSA-N 436.581 5.010 30 20 IKED Cn1c(NN=C(CCSc2ccccn2)c2ccc(F)cc2)nnc1-c1ccccc1 746679536 JSGRQPSLXHTTNY-UHFFFAOYSA-N 432.528 5.015 30 20 IKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2cccc(-c3ccccn3)c2)cc1 747755901 XAYHEVGXBUYUMU-UHFFFAOYSA-N 429.549 5.213 30 20 IKED C/C(=C/C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(C(F)(F)F)cc1 748385324 ILAGCBQKPXVFST-UKVQZPPCSA-N 448.466 5.101 30 20 IKED COc1cc(/C=C/C(=O)c2cnn(-c3ccccn3)c2C)ccc1OCc1ccccc1 748442194 QAOKQRYEVJJQLQ-ACCUITESSA-N 425.488 5.059 30 20 IKED CC[C@@H](C)Oc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 750684232 ODFVSPKFXMZFSQ-GCJKJVERSA-N 428.488 5.617 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](c2ccccc2)c2cccc(F)c2)ccc1OC 756029265 CKBABTAUCKLNEN-WIOPSUGQSA-N 447.510 5.104 30 20 IKED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1cc(Br)cc(Br)c1O 756766666 ARKMIJKPJRLRPF-SJKOYZFVSA-N 438.163 5.613 30 20 IKED COc1cc(F)c(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1OC 760270587 PPMHNDNUJIGORZ-YFHOEESVSA-N 440.496 5.189 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1 760971830 XBBCREPZLKFPRB-HSZRJFAPSA-N 440.927 5.843 30 20 IKED O=C1/C(=C\c2nc3ccc(F)cc3s2)COC/C1=C/c1nc2ccc(F)cc2s1 761478437 HCBYLQLBNQYQMZ-CBIKUMSCSA-N 426.469 5.251 30 20 IKED CCOc1cc(/C=C\C(=O)c2cc(Br)ncc2F)ccc1OCC(F)(F)F 762427536 VJKXESVDFPNTSU-HYXAFXHYSA-N 448.210 5.219 30 20 IKED N#CCSc1ccccc1NC(=O)CNc1ccc2cc(Br)ccc2c1 763241939 HFBLPECXRQFVSU-UHFFFAOYSA-N 426.339 5.269 30 20 IKED Cc1nc2scc(C3CC3)n2c1C=Nn1c(C)nc2scc(-c3ccccc3)c2c1=O 764665808 MQKMARIKHBKDSN-UHFFFAOYSA-N 445.573 5.211 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)c2ccccc21 767797399 BWYRZCVDTHNDSU-UHFFFAOYSA-N 438.984 5.404 30 20 IKED CCCCN(C)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 770100831 USBPSDXMLIPNNJ-IBGZPJMESA-N 431.508 5.199 30 20 IKED N#C[C@@H](C(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1)c1ccc2ccccc2n1 780302612 PUJQHSJZBCQVNG-RDGATRHJSA-N 435.483 5.079 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cccnc2-c2ccc(C)s2)ccc1OC 782915262 XVBWNDZEBTXHBN-KRWDZBQOSA-N 436.537 5.130 30 20 IKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccsc2)N(C2CC=CC2)C1=O 790734879 FFARVUPIMAMFQN-SFHVURJKSA-N 445.997 5.389 30 20 IKED CCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccsc1 790735889 GETUNAOWMIYLSI-AWEZNQCLSA-N 441.550 5.043 30 20 IKED CC(=O)N(c1nc(COC(=O)c2ccc(F)c(C#N)c2)cs1)c1c(C)cc(C)cc1C 792321636 PWWIRXRDSDGSEH-UHFFFAOYSA-N 437.496 5.121 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc3nc(-c4ccccc4)oc3c2)cc1Cl 796628310 AXERWJPOTKYRMO-KRWDZBQOSA-N 445.862 5.118 30 20 IKED CCn1nc(C)c(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C 796766681 YKZZGKHQMILTMM-INIZCTEOSA-N 433.364 5.369 30 20 IKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(CC(F)(F)F)C2=O)cc1 799214775 FIUYMJZIHZTKPM-SFHVURJKSA-N 449.498 5.134 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 801628667 LKXFTNNPQPCUFO-LPHOPBHVSA-N 446.617 5.238 30 20 IKED O=C([C@H](F)c1ccc(C(F)(F)F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 801666150 NVXBBGKUFNQUGW-IJLUTSLNSA-N 425.266 5.305 30 20 IKED N#CCCn1cc(CN(Cc2ccccc2)C[C@@H](O)c2ccccc2)c(-c2ccccc2)n1 809698779 IRPZPPTWKPBKJS-HHHXNRCGSA-N 436.559 5.200 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)C3CCOCC3)cc2)ccn1 810282924 DMHOUESWBFWILF-XMMPIXPASA-N 428.492 5.035 30 20 IKED CC(C)(C)Sc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 810394837 CEGYNOOECSICRM-UHFFFAOYSA-N 446.532 5.213 30 20 IKED CCc1ccc(C(=O)Nc2sccc2C(=O)Nc2nc(C)c(SCC#N)s2)cc1 813432205 HKBPBDJTIRYIJE-UHFFFAOYSA-N 442.591 5.196 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CC2CC(F)(F)C2)cc1 813562786 MDUBETHIBRGSCY-LJQANCHMSA-N 443.519 5.001 30 20 IKED N#Cc1ccccc1/C=C\C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 836832177 KUCYVKOUCWODIP-YFHOEESVSA-N 425.366 5.074 30 20 IKED O=C([C@@H](F)c1ccc(C(F)(F)F)cc1)N1CCC(c2nc(C(F)(F)F)cs2)CC1 857522818 QIKONMNGPAVTRM-AWEZNQCLSA-N 440.384 5.598 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1 915085881 CJEXYOJQRQHZEE-QFIPXVFZSA-N 425.463 5.707 30 20 IKED N#Cc1cccnc1Oc1ccccc1NC(=S)Nc1ccc(Oc2ccccc2)cc1 916000534 MPJUZYOUDHNYLH-UHFFFAOYSA-N 438.512 6.347 30 20 IKED COc1cccc2cc(C=Nn3c(S)nnc3COc3ccc(C(C)(C)C)cc3)oc12 916321375 XDUYPZTWBUBAMF-UHFFFAOYSA-N 436.537 5.080 30 20 IKED CC(C)(C)c1ccc(OCc2ccc(C(=O)[C@H](C#N)C(=O)NCc3ccccc3)cc2)cc1 916885777 BCOCWFXZPSQUJO-VWLOTQADSA-N 440.543 5.202 30 20 IKED Cc1cc(O[C@@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1Cl 916888185 SQWSRHXUYNKPII-BLLLJJGKSA-N 438.883 5.078 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cc2c(s1)CCCCCC2 916902534 ZIZDQWOVAMUMSE-OAHLLOKOSA-N 430.957 5.339 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1NC(=O)c1ccccc1 916938782 NSBXMAFZICANRD-SFHVURJKSA-N 449.869 5.001 30 20 IKED COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)c(F)c1 917564083 WNVFSIUJLKVENI-YHYXMXQVSA-N 430.888 5.525 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2)C[C@H]2CCCO2)cc1 919773435 JZZADWNARVWHJC-CLJLJLNGSA-N 425.532 5.555 30 20 IKED CCCCCCCCc1nnc(NC(=O)c2sc(N3CCCC3)nc2Cl)s1 920278526 OSLAYHQZDDOFCW-UHFFFAOYSA-N 428.027 5.404 30 20 IKED CCc1cnc(O)c(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c1 1544934188 NSKFMAPFOSGUMS-UHFFFAOYSA-N 427.382 5.285 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)nn3C(F)F)CCC2)cc1 1786103347 RGPKJFIUEWAHHI-UHFFFAOYSA-N 442.510 5.103 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4nccc-4c3)cc2)CCC1 1788460264 YXEYOUBUWMXGPR-UHFFFAOYSA-N 430.552 5.255 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)c3ccc(OC)cc3)CCC2)cc1)C(F)(F)F 1791302284 BFMHLVFZYWEELL-HNNXBMFYSA-N 446.469 5.051 30 20 IKED CC(C)[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCC#C[Si](C)(C)C)CC1 1798422766 QOJYHDAINIFHFU-KHFMAEOWSA-N 444.736 5.138 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ccncc23)[nH]n1 1814828543 OLLUNLFDBOSYNW-HSZRJFAPSA-N 443.551 5.032 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3cnccc23)n[nH]1 1819125961 DTMUJQUPKYSGJK-HSZRJFAPSA-N 443.551 5.032 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1oc3ccccc3c1C)CC2 1819599553 IJCMVVZIAJIPJM-IRXDYDNUSA-N 449.576 5.192 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(F)c2)CC1 1828827724 SWDOIGUOCDRLOB-RPWUZVMVSA-N 426.576 5.136 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccccc3o2)CC1 1829066391 FJBSOIUKCQVRHF-JOCHJYFZSA-N 436.596 5.659 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)c(OC)c2)CC1 1829068782 QEXGHRTWTJYPSF-HSZRJFAPSA-N 440.628 5.229 30 20 IKED Cc1ccc(-c2c(C)sc3nc(CSCc4ccc(C#N)cc4F)[nH]c(=O)c23)cc1 9936559 WGIFXWHLTJUQKR-UHFFFAOYSA-N 435.549 5.713 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(C(C)(C)C)cc2)cc1 10173299 OPZBFFGAFWGCPQ-UHFFFAOYSA-O 443.636 6.120 30 20 IKED CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nnc1-c1ccc(C(C)(C)C)cc1 10409203 QDGMCGNOWJCBNB-INIZCTEOSA-N 433.581 5.253 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)Nc1cccc(Cl)c1 10830612 JVCROYNGGIXPCN-UHFFFAOYSA-O 438.016 6.166 30 20 IKED CCOc1ccccc1-c1nnc(S[C@@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)o1 22132825 GTDCAOLRBHHHEI-PZBNQXIHSA-N 449.576 5.497 30 20 IKED N#C[C@H](C(=O)CSc1nnc(Nc2ccccc2)s1)c1nc(-c2ccccc2)cs1 27445314 GTYQBUSYPYRNBS-MRXNPFEDSA-N 449.586 5.374 30 20 IKED CC(=O)Nc1cccc(-n2cnnc2SCc2ccc(-c3ccccc3C#N)cc2)c1 46584547 PXZHEJRWVHQSMS-UHFFFAOYSA-N 425.517 5.057 30 20 IKED Cc1ccc(OCc2nc(CC(=O)Nc3sc4c(c3C#N)CCCCC4)cs2)cc1 57788449 ZETAIUGGZOMIHS-UHFFFAOYSA-N 437.590 5.414 30 20 IKED N#CCCSc1ccccc1NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 78669128 KYNLISNTQMNQLJ-UHFFFAOYSA-N 443.547 6.551 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(COCC)cc1 409505763 XAWFIYZVWNCBGP-UHFFFAOYSA-N 435.337 5.023 30 20 IKED COc1ccc(OC)c(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 409655001 ZFWGOMLDVZLYMI-UHFFFAOYSA-N 431.492 5.040 30 20 IKED C=CCn1c(SCc2nnc(-c3c(Cl)cccc3Cl)o2)nnc1-c1ccoc1C 409994689 WRKKEAHOYSFOSS-UHFFFAOYSA-N 448.335 5.682 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2C(F)(F)F)n(-c2cccc(C(F)(F)F)c2)n1 428170902 KZWMWCGOGBOYLA-UHFFFAOYSA-N 431.311 5.610 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2c(F)cccc2F)n1)c1nc(-c2ccc(Cl)cc2)cs1 429373574 SLJUCVGZWDBFGR-AWEZNQCLSA-N 440.862 5.417 30 20 IKED C=CCC[C@H](NC(=O)N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1)c1ccc(C(F)(F)F)cc1 430887338 DQENMKQFGADKPF-TZLLFPAYSA-N 440.506 5.081 30 20 IKED CC1(C)CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)[C@@H]1c1cccnc1 432676911 CETNIBGDTPBZSV-JTHBVZDNSA-N 430.939 6.005 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1F 437482637 DIYCKMQZEVJQEB-UHFFFAOYSA-N 427.435 5.716 30 20 IKED COc1ccccc1C[C@@H](C)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 437953364 KNYXDRBFSGBXBL-GOSISDBHSA-N 447.510 5.380 30 20 IKED CCN(CC1CCN(c2ccccn2)CC1)C(=O)Nc1ccccc1S[C@H](C)CC#N 438082133 UKQZTHGHDKRLAU-LJQANCHMSA-N 437.613 5.246 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCC(F)(c3ccccc3OC(F)(F)F)CC2)cc1 439325364 KCWSWFWGDLMSMH-UHFFFAOYSA-N 449.448 5.879 30 20 IKED CC(C)[C@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 441886691 JUTMZDPLCALDDY-XMMPIXPASA-N 445.494 5.284 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(Br)sc(C)c3C)n2)cc1 442514277 VABBHLPBLSOJQT-AWEZNQCLSA-N 447.379 5.750 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1)c1nnc2n1CCCCC2 442668877 FTFMSQRXUZOAIQ-INIZCTEOSA-N 441.318 5.594 30 20 IKED C=CCN(C(=O)c1cc(OC)c(OC(F)F)c(OC)c1)c1nc(-c2ccccc2)cs1 443816543 OBFRCTFCTCDJOG-UHFFFAOYSA-N 446.475 5.262 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444746734 ZCWDRFDTUUPZAR-MRXNPFEDSA-N 449.782 5.452 30 20 IKED Cc1nn(CCC#N)c(C)c1CCc1nc(C2(c3cccc(C(F)(F)F)c3)CCC2)no1 445519936 IUEVNTYBANQIND-UHFFFAOYSA-N 443.473 5.071 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2csc(-c3ccccc3C)n2)c1C#N 445572789 UGBQOSRMFCWRCS-UHFFFAOYSA-N 431.546 5.150 30 20 IKED N#Cc1cc(F)c(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)c(F)c1 445810066 XYQDABNLPYSATM-UHFFFAOYSA-N 437.299 5.434 30 20 IKED CC(=O)N[C@H](CC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1)c1ccc(C)cc1 460342572 IGZIMIHTPPWFFX-RUZDIDTESA-N 445.950 5.321 30 20 IKED Cc1ccccc1[C@H]1CN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@@H](C)CO1 460403809 JQOLLCKTUFJUPJ-RXFWQSSRSA-N 426.516 5.048 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(F)c(Br)c1 463483803 IMKHSTMLKZAQJU-UHFFFAOYSA-N 439.284 5.600 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1sc(C2CCCC2)nc1C 463486176 FXLFBJFWVCUIAA-UHFFFAOYSA-N 431.561 6.121 30 20 IKED CC[C@H](C)N(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc(C(N)=O)cc1 463605624 WZEMBXYYTDIGOO-INIZCTEOSA-N 447.922 5.548 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCn2c(cc3ccccc32)C1 463748052 DZTYDMYCYQIIRT-UHFFFAOYSA-N 436.515 5.448 30 20 IKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)c1nc(Cc2ccccc2)no1 463926252 PAURIHMSCUKDNM-AWEZNQCLSA-N 432.471 5.858 30 20 IKED CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 465296447 QKQGJOOFURYOBO-UHFFFAOYSA-N 442.515 5.681 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 465412782 CNWXYJVJSYNHDO-KSFYIVLOSA-N 439.556 5.064 30 20 IKED Cc1nc(-c2ccc(CCNC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)s2)cs1 465474835 PWJTXWVQDHUOJR-CTNGQTDRSA-N 436.606 5.204 30 20 IKED CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 466128262 FYZUCNJSRFNWDE-UIFIKXQLSA-N 425.916 5.329 30 20 IKED CC[C@@H](Cc1ccccc1Br)N(C)C(=O)Nc1ncccc1OCCCC#N 466615319 FGSJMHPMEYVYFU-KRWDZBQOSA-N 445.361 5.012 30 20 IKED N#Cc1ccc(C[C@H](C#N)C(=O)NCc2ccccc2-c2ccc(Cl)cc2Cl)cc1 471033540 VGAXOFNSOSHQGF-LJQANCHMSA-N 434.326 5.531 30 20 IKED Cc1ccc([C@H](NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c2ccccn2)cc1 471176647 LTHDXWHWFIZCED-NRFANRHFSA-N 440.425 5.114 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N(C)S(=O)(=O)CC2(C#N)CCCCC2)cc1 476342562 YWBHIKOMUHZMNH-LJQANCHMSA-N 426.582 5.159 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Br)c(Cl)c3)n2)cc1 477881913 VZCWFSCQJXRCKI-CQSZACIVSA-N 442.725 5.588 30 20 IKED COc1ccc(CN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@@H](C)C2CC2)cc1 479197889 ZEHHWWXEDAESQO-ZUNDZUCBSA-N 447.579 5.267 30 20 IKED CC(C)Oc1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c(Cl)c1 482345816 WKGGGBZAHJJDLJ-UHFFFAOYSA-N 431.895 5.213 30 20 IKED C[C@@H](c1cc(F)ccc1F)N(C)C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 482431098 CCDAKQLHDPFFGU-MGPLVRAMSA-N 438.343 5.572 30 20 IKED CC(C)c1c(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccccc1Cl 482579038 HXSXIDMCTWLTJL-CQSZACIVSA-N 432.833 5.553 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1nccc2ccccc12 483235451 LZXBGAGNAATWQD-QGZVFWFLSA-N 440.812 5.583 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CCCc2c(O)cccc21 483704934 YOQXUBKRNKRYTO-DEOSSOPVSA-N 427.504 5.350 30 20 IKED CCOc1ncc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1Cl 484409094 QISNWPZCBZZGEN-UHFFFAOYSA-N 429.851 5.411 30 20 IKED C=CCSc1ccccc1C(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)cs1 485748013 HZHCDJWLFGNBPN-UHFFFAOYSA-N 429.592 5.038 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1cccc(CN2CCCCCC2)c1 489252515 FBPLWXPSMGEYRI-UHFFFAOYSA-N 437.632 5.128 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)nnc1-c1ccncc1 489431502 TVWRDXVXMZJFCU-UHFFFAOYSA-N 449.624 5.894 30 20 IKED Cc1ccc(-c2nc(CS(=O)(=O)Cc3ccc(-c4ccccc4C#N)cc3)co2)cc1 494704879 UOVQVQNTXQDCCE-UHFFFAOYSA-N 428.513 5.304 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)Nc3cc(C4CCCCCC4)[nH]n3)ccc21 494911741 RXPUKPXSVHPXNE-UHFFFAOYSA-N 434.544 5.074 30 20 IKED C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1 500336022 LMIDHEBUQWKNBS-VEHDBQEHSA-N 438.955 5.406 30 20 IKED CCCOc1ccc(Oc2ncccc2CNC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 505163019 XETBWKSNPACTHX-GOSISDBHSA-N 430.508 5.095 30 20 IKED CC(C)n1ncc2c(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cc(C3CC3)nc21 505314912 RSYNFAFIVUQIKP-SFHVURJKSA-N 428.323 5.191 30 20 IKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)N[C@@H](C)c1ccc(C#N)cc1)CC2 505332141 BUSUQTCVCKCCDL-FYSMJZIKSA-N 447.560 5.055 30 20 IKED Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)cc1 505835169 VTJFAPWGFKVCMJ-DEOSSOPVSA-N 431.536 5.092 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c1 507464841 ONSVIHNRXBQAIY-UHFFFAOYSA-N 433.870 5.273 30 20 IKED C=CCn1c(SC[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)nnc1-c1cccc(C)c1 508387363 OPCCMALWHYJBEW-UWJYYQICSA-N 444.000 5.324 30 20 IKED C=CCOc1ccc(CNC(=O)N(CCC)Cc2nnc(-c3ccccc3Cl)o2)cc1 509335992 ALTUISBHULFRQJ-UHFFFAOYSA-N 440.931 5.077 30 20 IKED CC(C)c1nc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)nn1-c1c(Cl)cccc1Cl 510386763 PYNWTZLVUSFDSG-GFCCVEGCSA-N 439.306 5.064 30 20 IKED COc1cc(CNC(=O)c2ccccc2-c2ccccc2C#N)ccc1OC1CCCC1 513218296 IRVDRRVGAOUHSU-UHFFFAOYSA-N 426.516 5.485 30 20 IKED COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1 513677564 YKAXHOFBBRDPAJ-SFHVURJKSA-N 445.456 5.495 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 515186409 YZICZVBVDAJDRZ-RBUKOAKNSA-N 440.490 5.533 30 20 IKED CCc1ccc(-n2nc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c3c2CCC3)cc1 518622261 LGTOKPAUOFHAKK-GOSISDBHSA-N 445.473 5.158 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c2)cc1 519163775 LQQCJDZPKPHBNQ-UHFFFAOYSA-N 445.478 5.457 30 20 IKED C=CCOc1ccccc1C(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 520351739 VSBVJQGWEQIRAV-UHFFFAOYSA-N 445.494 5.233 30 20 IKED C=CCCCN(C)C(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 523017208 BGOLAHOGDLPVPE-UHFFFAOYSA-N 425.916 6.004 30 20 IKED C[S@](=O)Cc1cc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)ccc1Cl 523725965 BIBVEBCISQPWJM-PMERELPUSA-N 442.899 5.274 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1 523957433 YJTGATSJHFNAHA-HHHXNRCGSA-N 439.515 5.292 30 20 IKED C=CCn1c(SCC2CCOCC2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 524032547 VQRZMBBVCPALRE-UHFFFAOYSA-N 430.570 5.277 30 20 IKED Cc1nnc(-c2cccc(C(=O)N(Cc3ccc(C#N)cc3)c3ccc(F)cc3C)c2)o1 530571135 UJWMNQOGCIMDSL-UHFFFAOYSA-N 426.451 5.211 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1 531100925 QWEQWFOGTOPZLV-HNNXBMFYSA-N 436.562 5.896 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(Br)cc1 531463301 LKRHYQGHJHPKTN-HNAYVOBHSA-N 444.398 6.070 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1 535291567 DULFALCAUNKUQR-SFHVURJKSA-N 429.545 5.467 30 20 IKED C[C@H](NC(=O)c1ccccc1Oc1ccccc1C#N)c1nc2ccccc2n1C(F)F 538676559 MYPAIPXVFHAIPU-HNNXBMFYSA-N 432.430 5.586 30 20 IKED Cc1ccc(NC(=O)[C@H]2CCc3ccccc3N2C(=O)c2ccc(C3(C#N)CC3)cc2)cc1 540732118 BXUGVJDNYZEUTA-RUZDIDTESA-N 435.527 5.151 30 20 IKED CC(=O)N1CC[C@@H](NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c2ccccc21 541147347 BMAOWTVUURBYHB-IQGLISFBSA-N 438.531 5.083 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3ccn(-c4cccc(C(F)(F)F)c4)n3)CC2)cc1 543039277 JPOAMAUZWQFQGX-UHFFFAOYSA-N 437.425 5.084 30 20 IKED CCNc1ccc(C#N)cc1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 552104357 BILXUBYJNIJXDD-UHFFFAOYSA-N 428.279 5.131 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1 553060252 DKLUIQZSNVJQRU-UHFFFAOYSA-N 443.469 5.125 30 20 IKED CC(C)Oc1ccc([C@@H](CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)N(C)C)cc1 554444733 QEQYJJYZJWCNQX-PGRDOPGGSA-N 440.613 5.150 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 561237706 IHCFVOBYDDRVNS-SFTDATJTSA-N 434.609 5.728 30 20 IKED O=C(Nc1cccnc1C(F)(F)F)N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F 565445924 SKPPFQXMOHAKTN-LLVKDONJSA-N 447.257 5.424 30 20 IKED Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccccc1 566042885 RWHKGTNWBGUSCI-QGZVFWFLSA-N 428.565 5.164 30 20 IKED O=S(=O)(Cc1ccc(C(F)F)cc1)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 579329726 NBGLDFZGWQJOOK-CQSZACIVSA-N 447.347 5.366 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 602751808 LAGMEWAIXYOLBN-UHFFFAOYSA-N 438.871 5.690 30 20 IKED CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c12 603763715 BXCQAIFQKGTUOU-UHFFFAOYSA-N 439.475 5.535 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)c2)cc1 603921200 PDNIKUJGWKBARN-UHFFFAOYSA-N 443.528 5.018 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2sc3cccc(Cl)c3c2Cl)n1 604432723 CTHJHNXTHSXLQS-QMMMGPOBSA-N 425.318 5.331 30 20 IKED CC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604457084 QELHGCQNAZQKJS-UHFFFAOYSA-N 445.544 5.220 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)c2)cc1 604690960 SAKZWDRULQIJFV-QHCPKHFHSA-N 435.508 5.751 30 20 IKED N#C[C@H](C(=O)c1cccc(OC2CCCCC2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 606754375 UPFDKKHHIYMFLK-LJQANCHMSA-N 447.560 5.477 30 20 IKED Cc1ccn2cc(-c3ccc(NC(=O)c4occc4COc4cccc(C#N)c4)cc3)nc2c1 608811073 GVCVUELJVQLRIE-UHFFFAOYSA-N 448.482 5.606 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3nn(-c4ccccc4)c4c3CCC4)cc2)c1 609064706 FEIAWALOFUMGLG-UHFFFAOYSA-N 434.499 5.064 30 20 IKED C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(OCC(F)(F)F)cc1 609401967 ODRNJCAXNFGAJQ-CABCVRRESA-N 437.487 5.762 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc2ccccc2n1C(F)F 609498888 SUJYVWKNBIJOBP-MRXNPFEDSA-N 446.457 5.781 30 20 IKED CC(C)n1c([C@H]2CCCN(C(=O)c3cc4ccccc4n3CC#N)C2)nc2ccccc21 609622813 NVIJGDOEECEVSW-FQEVSTJZSA-N 425.536 5.115 30 20 IKED COc1ccccc1-c1csc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)n1 609643450 OMYMKICEKYTZCB-UHFFFAOYSA-N 441.512 5.522 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)o1 609859058 DYGCFTRDUQWPEG-UHFFFAOYSA-N 431.448 5.228 30 20 IKED CC[C@H](NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(Cl)s1 609946113 DUVMRVYWXKADIP-SFHVURJKSA-N 439.924 5.271 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2nc(-c3ccoc3)no2)cc1Cl 610040438 RLKABMQFGZSMAG-LJQANCHMSA-N 432.867 5.210 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)Nc3ccccc3OCC3CC3)c2)c1 610141584 IFXISLSTUXNHMW-UHFFFAOYSA-N 426.476 5.243 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N3C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C3)c2)cc1 610605445 AIDQNELWJKMQAN-IAGOWNOFSA-N 427.348 5.115 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)NCCc1ccc(-c2csc(C)n2)s1 615644155 JXSLAJPKEWZHRE-UHFFFAOYSA-N 427.595 5.129 30 20 IKED Cc1ccc(-c2noc([C@H](C)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)n2)cc1F 618448689 ANPBUJNLZJWNTO-CYZMBNFOSA-N 425.348 5.308 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)NCc4ccc(C#N)c(Cl)c4)cc3)o2)c1 619764482 WLGIGFWBGJGNRA-UHFFFAOYSA-N 428.879 5.167 30 20 IKED C=CCn1c(CSc2ccccc2OC)nnc1N1CCS[C@H](c2ccccc2)C1 669814684 DXIPOIGUSYWUTJ-NRFANRHFSA-N 438.622 5.060 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)OCCOc2c(C#N)cnc3ccccc23)cc1 726366071 LCKAWNBZVNIRSI-UHFFFAOYSA-N 443.528 5.012 30 20 IKED C#Cc1cccc(N2C(=O)/C(=C\c3csc(-c4cccc(OC)c4)n3)SC2=S)c1 726627287 POXHATMLQIIVEJ-XDHOZWIPSA-N 434.567 5.206 30 20 IKED N#CCOc1ccc(CNC(=O)c2ccc(-c3ccc(Br)cc3)s2)cc1 727676929 IWJYLNSYJKEWKD-UHFFFAOYSA-N 427.323 5.010 30 20 IKED N#C[C@H](C(=O)COc1ccccc1OCC(F)(F)F)c1nc(-c2ccccc2)cs1 727954146 KXHMQCKWGDGPME-OAHLLOKOSA-N 432.423 5.006 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1ccc(F)cc1F 728061829 CDQHOXMEFIPHEB-CQSZACIVSA-N 441.865 5.508 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)NCc1ccccc1Cl 728298287 CVVCPTHEGYIKPL-MRXNPFEDSA-N 437.902 5.047 30 20 IKED Cc1cc(C(=O)COC(=O)c2cc3ccccc3n2CC#N)c(C)n1[C@H](C)c1ccccc1 729766246 DONSXCNKTICART-LJQANCHMSA-N 439.515 5.232 30 20 IKED N#C[C@H](C(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1nc2ccccc2s1 730071544 PFVCIWCHCIBUJH-ZHRRBRCNSA-N 436.508 6.284 30 20 IKED COc1ccccc1C/C(C)=C/C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 730173623 JPFAIYCCWLSJHR-LVZFUZTISA-N 426.516 5.468 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 730396588 SHQMNJXFDIAAIK-KRWDZBQOSA-N 449.297 5.293 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=S)Nc1ccc(F)c(Cl)c1 730954768 KGOGUJSTNCEREL-UHFFFAOYSA-N 433.883 6.313 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1sccc1-c1ccccc1 731064064 PYZGSZAAOVXIRI-INIZCTEOSA-N 436.558 5.605 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(SC(F)F)cc1 731067084 VBZPJNXYHQQCBD-CYBMUJFWSA-N 436.505 5.191 30 20 IKED CN(C)C(=O)Sc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 731436775 ILBUDDTUEGQHQO-UHFFFAOYSA-N 447.585 5.877 30 20 IKED CCOc1c(OC)cc(/C=C\C(=O)c2cnn(-c3cccc(Cl)c3)c2C)cc1OC 731564812 AFVBIYPFGMLZAE-KTKRTIGZSA-N 426.900 5.146 30 20 IKED CCCOc1nc2ccccc2cc1/C=C/C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12 731768647 PCKPKCFETKHXHG-NSFRLNINSA-N 449.510 5.538 30 20 IKED CC(C)(Oc1cccc(Cl)c1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 733052875 RZLKYPCMQHMQRZ-CQSZACIVSA-N 438.858 6.002 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)cc1 734930735 XOFHIJGDYNCZQH-ZCYQVOJMSA-N 428.511 5.272 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1 735248913 SHZZLSOEQCTNOH-UHFFFAOYSA-N 427.454 5.689 30 20 IKED COc1cccc([C@H](C#N)NC(=O)c2cccc(CSc3cc(C)ccc3C)c2)c1OC 741685557 BYKZEDRLMPGYOV-QFIPXVFZSA-N 446.572 5.608 30 20 IKED COC(=O)Nc1ccc(CCNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 743237620 DIZMJKGQGOEFSH-UHFFFAOYSA-N 448.454 5.032 30 20 IKED COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)NCc1cc(C#N)ccc1F 745893373 UIQXBRYLNMAYNV-IBGZPJMESA-N 431.511 5.049 30 20 IKED COc1ccc(N2C/C(=C/c3cc(C#N)cs3)C(=O)/C(=C/c3cc(C#N)cs3)C2)cc1 748440578 NXHXSYCOLCVVBU-NCEWWTOFSA-N 443.553 5.118 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)COc1ccc(C2SCCCS2)cc1 752039333 OQWCXRHMBKMYRN-YADHBBJMSA-N 438.618 5.232 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(CCC(F)(F)F)cc1 752476698 AKVPTWPINPCDHG-MRXNPFEDSA-N 442.409 5.457 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 752663660 WHMIXORJICYSAR-TZIWHRDSSA-N 441.000 5.197 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CC=C(c3ccc(Cl)cc3)CC2)ccc1OC 752966984 RFTCEPWRGFYKOJ-NRFANRHFSA-N 439.943 5.028 30 20 IKED CC(C)(C)OC(=O)N1CCc2cccc(/C=C\C(=O)c3c(Cl)nc4sccn34)c21 757530625 WFHXSMLGHXZJMS-FPLPWBNLSA-N 429.929 5.243 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 773726577 GPKHAZZSDAJENH-UHFFFAOYSA-N 440.934 5.362 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 780675084 SUXMHANVPCEZCC-BDJLRTHQSA-N 431.336 5.421 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1cccc(C(F)(F)F)c1)[n+]1ccc(C(C)(C)C)cc1 783693512 RSJXPNUIAAAJDX-UHFFFAOYSA-O 435.535 5.667 30 20 IKED C[C@@H](CC(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1c[nH]c2ccccc12 787231184 YDSNSMFFSRNPNI-DLBZAZTESA-N 435.549 5.238 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 788572251 PEUZSBMJEJOGRS-VWLOTQADSA-N 441.506 5.608 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 793948362 KCXHJLQKHJUMOG-UHFFFAOYSA-N 434.580 6.479 30 20 IKED O=C(/C=C\c1ccc(Br)cc1C(F)(F)F)c1ccc(N2CCOC2=O)cc1 794933936 CVVMUIVKIFVNAH-YWEYNIOJSA-N 440.215 5.321 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)C[C@H](CC#N)c2ccccc2)cs1 795981177 LWQWLOYOTFNHAE-NRFANRHFSA-N 447.560 5.575 30 20 IKED C[C@H]1C[C@@H](C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)CCN1C(=O)OC(C)(C)C 796651111 PEHOCFOHMFTXGA-YDHLFZDLSA-N 433.961 5.162 30 20 IKED CC(C)(CC(=O)c1ccccc1)CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 799605173 ZPNXMMBPQDPAIN-FQEVSTJZSA-N 427.529 5.547 30 20 IKED CC1(C(=O)OCc2ncc(C(F)(F)F)s2)CCN(c2ccc(Cl)cc2C#N)CC1 805939202 CCRYUBMZPBWDBM-UHFFFAOYSA-N 443.878 5.037 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(C)[C@H](C)Cc2ccccc2C(F)(F)F)cc1C#N 806365125 HYHKUZLUGROGBC-CQSZACIVSA-N 448.445 5.240 30 20 IKED C#CCOc1ccccc1-c1noc([C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)n1 809396002 XMBMOJRJLBNNJQ-SFHVURJKSA-N 442.302 5.033 30 20 IKED N#CCOc1ccc(/C=C2\SC(=S)N(c3ccc(SC(F)F)cc3)C2=O)cc1 814282870 GPANEVMHLZSHQO-WJDWOHSUSA-N 434.514 5.309 30 20 IKED C[C@H](Cc1cnc2ccccc2n1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 815925873 UKPRRBYWELMZAL-UKRRQHHQSA-N 434.471 5.087 30 20 IKED Cc1cc(C#N)cnc1C(=O)OC(c1cc(F)c(F)c(F)c1)c1cc(F)c(F)c(F)c1 816477765 JLNOYXUSEKAEJA-UHFFFAOYSA-N 436.311 5.043 30 20 IKED Cc1cc(C(=O)N2CCC(C)CC2)ccc1NCc1cc(C#N)ccc1Br 864005999 NEQSFRRYRWBIIB-UHFFFAOYSA-N 426.358 5.113 30 20 IKED Cc1ccc(NCc2cc(C#N)ccc2N(C)C)cc1Oc1ncccc1Br 864012165 VEUGKVBDKRHLFG-UHFFFAOYSA-N 437.341 5.495 30 20 IKED CC(C)(C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 883977768 VTWULHLFDWCAJA-STQMWFEESA-N 449.357 6.009 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCCc2nc3ccccc3s2)cc1 915086375 JKYPOYYUGQHFJQ-JOCHJYFZSA-N 425.557 6.303 30 20 IKED N#C[C@H](C(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102649 BVDKJHSMDMZIAQ-TUURBPCVSA-N 433.360 5.689 30 20 IKED CCc1ccc([C@@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)N(C)C)cc1 915352348 KEHSJDVZMKNNCJ-CLJLJLNGSA-N 426.564 5.329 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@H]1COc2ccc(Cl)cc2C1 916908951 ORCMXRAYEMBOPU-YLJYHZDGSA-N 446.890 5.031 30 20 IKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1csc(Cc2ccccc2)n1 916946257 OQIPUWWEIPAPJM-MRXNPFEDSA-N 430.316 5.002 30 20 IKED O=C1Nc2ccccc2C12CCC(=NNc1nnc(-c3ccccc3)n1-c1ccccc1)CC2 917549122 WPINRYKQGWZLSW-UHFFFAOYSA-N 448.530 5.166 30 20 IKED CNC(=O)C[C@H]1SC(=Nc2ccc3ccccc3c2)N([C@@H](c2ccccc2)C2CC2)C1=O 917702400 SZLJUHFYNADTIO-VWNXMTODSA-N 443.572 5.059 30 20 IKED Cc1ccc([C@](O)(CC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C(F)(F)F)o1 919825912 ZOJJSQWCHHECIU-OAQYLSRUSA-N 430.382 5.031 30 20 IKED CC(C)CN(CCC#N)Cn1nc(-c2cccnc2)n(-c2ccccc2C(C)C)c1=S 919943818 PBHPLIFTYCMGMR-UHFFFAOYSA-N 434.613 5.418 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)CCC1 1785786481 YNFRCIGKARPINH-UHFFFAOYSA-N 447.560 5.009 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Cc3ccccn3)CCC2)cc1 1786104533 ZHRFFXLNMFKAND-FQEVSTJZSA-N 431.580 5.163 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3NC(C)=O)CCC2)cc1 1789454815 FBLKXONZNSPKHM-QFIPXVFZSA-N 445.563 5.161 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC(F)F)cc3Cl)cc2)CCC1 1790061614 IXPRKGZMXNHYKP-UHFFFAOYSA-N 446.881 5.103 30 20 IKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@@]4(F)CCCC=C4F)cc3)CCC2)c1 1792377300 BUEICLDADLNMBY-AREMUKBSSA-N 449.501 5.360 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cc(C(C)(C)C)oc3C)C2)CC1 1808383306 LTGJGFHEFCUTRC-NRFANRHFSA-N 440.628 5.499 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)sc3Cl)n[nH]2)C1 1819963683 OVVWSWINPREYTR-CQSZACIVSA-N 439.368 5.050 30 20 IKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[nH]n1 1822403570 IXHKKAJHGMZQIB-DENIHFKCSA-N 428.964 5.071 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 1824141242 UTFUPHFGDNJVGB-XMMPIXPASA-N 443.031 5.271 30 20 IKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)c(Cl)c2)CC1)C(F)(F)F 1831448881 MMRNQNCQZGHYIT-IBGZPJMESA-N 442.909 5.000 30 20 IKED CCCCC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1831466055 LWXMFUBCCJPESB-SQJMNOBHSA-N 437.628 5.202 30 20 IKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(C)CCCCC3)CC2)c1 1831798281 MXMNBPGHVMJEQG-DEOSSOPVSA-N 435.612 5.070 30 20 IKED N#Cc1ccc([C@]23CC4C[C@](c5ccc(C#N)cc5)(C2)C[C@@](c2ccc(C#N)cc2)(C4)C3)cc1 2332239726 RICMMDPSTIIKEA-OPMJUYCPSA-N 439.562 6.413 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)(C)C)cc1)=C(/S)Nc1ccccc1F 11170336 SYAPWAMMKXNITR-UHFFFAOYSA-O 435.588 6.024 30 20 IKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccccc2)[n+]2ccc(N(C)C)cc2)c(Cl)c1 15248322 HWSULRHATRCOEK-UHFFFAOYSA-O 439.004 5.361 30 20 IKED C=CCn1c(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)nnc1-c1ccc(Cl)cc1Cl 22879682 PXSDWKCBMZSMHR-KBPBESRZSA-N 439.412 5.320 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)NC(CC)CC)nc2scc(-c3ccccc3)c2c1=O 23404480 ALDGZCFFAIAMLN-HNNXBMFYSA-N 441.622 5.096 30 20 IKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2c(Cl)cccc2Cl)ccc1Cl 29274819 GWRWJNRNROTVOZ-UHFFFAOYSA-N 425.699 5.059 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1 71935035 VEXZMRKJLHQCOF-QHCPKHFHSA-N 444.535 5.070 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N(Cc3ccc(F)cc3)C3CCOCC3)c2)c1 427725753 CAXMHQFHZBRXBF-UHFFFAOYSA-N 444.506 5.098 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(Br)c3ccccc23)c1-c1ccccc1 429087789 MGSYWYIIWAKKBO-UHFFFAOYSA-N 445.320 5.632 30 20 IKED Cc1c(C#N)cccc1NC(=O)NC1(c2ccc(OCc3ccccc3)cc2)CCOCC1 431953369 UEULJLRLECZDBJ-UHFFFAOYSA-N 441.531 5.273 30 20 IKED C[C@H]1C(=O)CC[C@H](C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)C1(C)C 436064036 UWBZXVDTSDVLHL-BLLLJJGKSA-N 449.498 5.204 30 20 IKED CC(C)C[C@@H]1COCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 437961845 IJGZFAIHRUEYKY-HXUWFJFHSA-N 427.932 5.069 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 438051478 PCPMARPHYSIQNK-INIZCTEOSA-N 440.525 5.064 30 20 IKED N#CCC[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1ccccc1 439662027 AJWSXSLBVQUJRC-LJQANCHMSA-N 430.360 5.821 30 20 IKED N#CCC[C@H](NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1ccccc1 439678100 MHAYBQHRJTUNPD-FQEVSTJZSA-N 425.941 5.079 30 20 IKED CCOc1ccc(Oc2cc(CNC(=O)N[C@H](CCC#N)c3ccccc3)ccn2)cc1 440090684 VQKVUKAKOQLNCF-HSZRJFAPSA-N 430.508 5.117 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)c1nc2ccccc2s1 442609698 ZOAJMEVHSHHJKM-GOSISDBHSA-N 440.459 5.642 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)cc1 442864515 RSFFKMUKZNRIHB-HNNXBMFYSA-N 447.394 5.236 30 20 IKED N#Cc1nc(Sc2nnc(-c3ccco3)n2Cc2ccccc2)ccc1C(F)(F)F 443443103 ZUHJPLIZRCLNSG-UHFFFAOYSA-N 427.411 5.023 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)c2)cc1 460368664 ZEQPJDNODQEZEZ-QHCPKHFHSA-N 431.473 5.147 30 20 IKED N#Cc1ccccc1Oc1ccc(NCc2nc(COc3ccc(F)cc3)no2)cc1F 463230657 SGCNANMROYFSBL-UHFFFAOYSA-N 434.402 5.203 30 20 IKED C[C@H](C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c1ccc(Br)s1 463289666 SOFZMKSLXKWHLA-NSHDSACASA-N 431.277 5.077 30 20 IKED Cc1nc(CSc2ccc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)cc2)cs1 464459482 HRBQRMQOCWTUBH-KRWDZBQOSA-N 433.480 5.648 30 20 IKED C[C@@H](C(=O)N(Cc1ncc[nH]1)c1ccc(Br)c(Cl)c1)c1cccc(C#N)c1 464498232 IKUSLJXMBUOGGQ-CYBMUJFWSA-N 443.732 5.034 30 20 IKED CC(C)(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 468062524 PYGQWWMGEOMTMQ-UHFFFAOYSA-N 448.544 5.369 30 20 IKED CSc1nc(C2CC2)nc(C)c1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 468385075 VFEUULLOBCZXID-UHFFFAOYSA-N 444.560 5.282 30 20 IKED COc1cc(Br)ccc1[C@@H](C)NC(=O)Nc1ccccc1S[C@H](C)CC#N 470362305 IYNQYPGIQKTOOG-ZIAGYGMSSA-N 448.386 5.735 30 20 IKED Cc1csc(Sc2ccc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cc2Cl)n1 470876952 CBAPEQLCEJBNJC-MRXNPFEDSA-N 438.965 5.449 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 472816876 XAPIGBPOKVQZSH-UHFFFAOYSA-N 425.941 5.007 30 20 IKED Cc1csc(NC2CCN(C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CC2)n1 474009353 KMMVCHWPNYWSPM-GOSISDBHSA-N 445.592 5.337 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(C(F)(F)F)cc1Br 477715373 GGNYELZQEYXMHO-UHFFFAOYSA-N 447.251 5.163 30 20 IKED CN(C)c1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c2ccccc2n1 478557536 ZIGWLVCISWHNFV-HNNXBMFYSA-N 434.471 5.193 30 20 IKED C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 480604004 UDWRJPQMEPGLMK-KBXCAEBGSA-N 435.421 5.471 30 20 IKED CCOc1ccc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 481712830 OLAIUEGUEZCIOO-UHFFFAOYSA-N 433.483 5.339 30 20 IKED N#Cc1ccc2c(c1)CCCC[C@@H]2NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 481996624 DMVFWYZCFMKAMG-QHCPKHFHSA-N 441.497 5.239 30 20 IKED CN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F 482381923 WUWUNMTWYQOLAN-HNNXBMFYSA-N 426.307 5.429 30 20 IKED CN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 484070801 FYDRJEOYUTUPMZ-BEFAXECRSA-N 428.376 5.855 30 20 IKED C=CCSc1ccccc1C(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 485496957 VBTGNAOAXIJEDK-UHFFFAOYSA-N 448.510 5.018 30 20 IKED COc1cc(CS(=O)(=O)Cc2cc3ccccc3o2)ccc1OCc1cccc(C#N)c1 486727439 MANVJNQSFAHANI-UHFFFAOYSA-N 447.512 5.007 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)cc1 500927722 TXALTEVLUYRVFD-NRFANRHFSA-N 429.524 5.687 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cccc(OCc4cccnc4)c3)c2)cc1 501435436 LUNLEXICUXBDAU-UHFFFAOYSA-N 449.510 5.558 30 20 IKED COCCOc1ccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 502233595 OISOKFMOKTUZOJ-QFIPXVFZSA-N 435.911 5.665 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cnc(-c3ccc(F)c(F)c3)s2)cc1 502991651 OTQHQKUGAJYZRB-UHFFFAOYSA-N 437.393 5.165 30 20 IKED COc1ccc(CN(CC2CC2)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c(OC)c1 505323985 BHDCGPMMOVFGER-KRWDZBQOSA-N 439.581 5.542 30 20 IKED C=CCOc1ccc(CN(Cc2nnc(C(=O)Nc3ccccc3)s2)C(C)(C)C)cc1 505562750 WQBFLWBGSKKCQR-UHFFFAOYSA-N 436.581 5.156 30 20 IKED CC1(C#N)CCN(C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 506042528 UZUJSWRZLBFCKQ-NRFANRHFSA-N 433.379 5.086 30 20 IKED O=C(Nc1nnc(C(F)(F)F)s1)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 506286580 SVQBWQAISKNSLD-SSDOTTSWSA-N 438.275 5.001 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 507897216 ZOHRDQYZPFLRFJ-UHFFFAOYSA-N 438.487 5.347 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1Oc1ccncc1 509509298 GGFXMIRURUFIFX-UHFFFAOYSA-N 435.483 5.885 30 20 IKED COC(=O)c1ccc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 510057461 QEXXOOMEPUZVJW-JOCHJYFZSA-N 447.922 5.446 30 20 IKED N#Cc1ccc(-c2ccccc2)nc1SCc1csc(-c2ccc(C(N)=O)cc2)n1 510201498 YIKRAJHJXXBQEW-UHFFFAOYSA-N 428.542 5.135 30 20 IKED CC(C)COc1cccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 510580965 VRQHDDBCCAPDPF-UHFFFAOYSA-N 443.547 5.688 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(=Cc3cccc(F)c3)CC2)cc1 510986262 SJZSEFILYGJUTN-UHFFFAOYSA-N 433.527 5.351 30 20 IKED N#Cc1c(NC(=O)Cc2csc(-c3ccccn3)n2)sc2c1-c1ccccc1CC2 511083566 UGQNOAOIEQGWJY-UHFFFAOYSA-N 428.542 5.085 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCCCC[C@@H]2c2ccncc2)cc1 511406889 YYPGUZGIEIJBQZ-AREMUKBSSA-N 440.547 5.876 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)c(C#N)c1 512977645 PQFBWMOFOVUJIK-LBPRGKRZSA-N 432.332 5.780 30 20 IKED C=CCn1c(SCCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccoc1C 514898332 WOOIAQXQNLDACV-UHFFFAOYSA-N 437.352 5.460 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(-c2ccccc2Cl)on1 515156994 DBNRKEPLVPIHDS-UHFFFAOYSA-N 430.851 5.615 30 20 IKED N#C[C@H](C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nc2ccccc2n1C(F)F 515540016 LZGQEWIRMWEIKX-OAHLLOKOSA-N 436.443 5.235 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CCc2ccc(-c3ccccc3)o2)cc1 515649423 LKZBVBOSKWJGHQ-UHFFFAOYSA-N 436.511 6.163 30 20 IKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1 515699237 HTEBCPBFHUNKNT-MRXNPFEDSA-N 435.574 5.294 30 20 IKED COc1cc(CNC(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)ccc1C#N 516353452 VNTGOWMKJCFWJP-UHFFFAOYSA-N 432.427 5.031 30 20 IKED C=CCN(C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C)c1nc2c(s1)CCCC2 516464297 XIRUIKLVTCZECO-UHFFFAOYSA-N 449.624 5.540 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccccc2CN2CCSCC2)cc1 517366783 BPGHRYKZEJVZLG-UHFFFAOYSA-N 447.535 5.291 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)s2)o1 518516666 RHJBIYJWMVCRIW-INIZCTEOSA-N 430.514 5.505 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)Cc3csc(-c4cccc(F)c4)n3)cc2)c1 519504392 NCRVNZJVFLJWQH-UHFFFAOYSA-N 429.476 5.794 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 521075521 XGDKRKTUQJXJBH-INIZCTEOSA-N 436.537 5.486 30 20 IKED C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 521263911 PSWIVVJARJCFIT-WQVCFCJDSA-N 437.471 5.173 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1 522218850 XSKAPWHTICLWLV-UHFFFAOYSA-N 441.944 5.339 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCSC[C@@H]3c3ccccc3)c2)c1 522463041 JZLZVUVVFSGRPI-HSZRJFAPSA-N 442.544 5.133 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)[nH]c12 522829242 ZMUCCKSDDZVVOB-GOSISDBHSA-N 426.863 5.679 30 20 IKED CC[C@@](C)(C#N)NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 523670818 JCLXEMRDLOBRAM-NRFANRHFSA-N 446.498 5.004 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@H](c2ccccc2)c2cccnc2)c1 523947370 ZYLFSWGQCDUHRK-RUZDIDTESA-N 439.902 5.918 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 524381324 YSANHRNFDWMQCY-INIZCTEOSA-N 443.528 5.653 30 20 IKED C=CCn1c(SCc2nc(CC(F)(F)F)no2)nnc1-c1ccc(C(C)(C)C)cc1 525109722 LSROPDVVVKGRSA-UHFFFAOYSA-N 437.491 5.209 30 20 IKED Cc1ccc(C#N)cc1NC(=O)N1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 530604412 BPTTTXKCSDHLRY-UHFFFAOYSA-N 443.482 5.240 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(OCC(F)F)nc1 534173442 QFGRULLRDMJSMB-UHFFFAOYSA-N 431.386 5.002 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1ccccc1F)C1CCCC1 537123437 SLRXEDCVYZHJBQ-BXKMTCNYSA-N 425.573 5.680 30 20 IKED C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCc1ccc(-c2ccccc2C#N)cc1 539214462 LQPYBKOEWDCLIC-QGZVFWFLSA-N 437.465 5.751 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)NC(c3cccs3)c3cccs3)n2)c(Cl)c1 543887917 NSWCFWNFRGYGPY-UHFFFAOYSA-N 439.953 5.431 30 20 IKED C=CCn1c(SCc2nc(-c3c(F)cccc3F)cs2)nnc1-c1ccoc1C 544209453 CLARGNDQDPAPQN-UHFFFAOYSA-N 430.505 5.727 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1F 544616524 WZGFJPYUNJDYTH-HYBUGGRVSA-N 449.457 5.671 30 20 IKED Cc1cccnc1OC1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1 547735045 IICYENBHJRKXTE-UHFFFAOYSA-N 429.545 5.097 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)CC1 548830697 ODRWLNKRHOZXIT-QHCPKHFHSA-N 430.939 5.091 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(c2ccsc2)CC1 549289990 FDGPLLAWZCUEJU-GOTSBHOMSA-N 434.609 5.545 30 20 IKED CN(Cc1ccccc1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1ccccc1 552544468 WJMHTBOHYZBBFJ-UHFFFAOYSA-N 442.538 5.189 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1 554175717 ZSNZGPNPTYDAJB-DENIHFKCSA-N 426.557 5.477 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccccn2)c1C(F)(F)F)c1nc2cc(Cl)ccc2s1 556057542 JLIVVKXHSZJRIE-NSHDSACASA-N 447.829 5.039 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(Br)c3Cl)CC2)cc1 558849685 WEZIHXJVNGWQNA-UHFFFAOYSA-N 434.721 5.049 30 20 IKED Cc1csc(Oc2ccc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)cc2F)n1 560428941 UQCIDHMXPFBWCL-UHFFFAOYSA-N 447.495 5.412 30 20 IKED CCN(CCN1CCCCCC1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 562135250 VCROKICIHQJYQX-UHFFFAOYSA-N 434.584 5.061 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(-c2cccc(Cn3ccnc3)c2)no1 569151586 PWDFWVPGYALVHM-UHFFFAOYSA-N 426.398 5.232 30 20 IKED N#CCc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 569385929 KNVGBSOVQIAADK-UHFFFAOYSA-N 434.293 5.020 30 20 IKED C=CCOc1cccc(NC(=O)C(=O)N[C@@H](CC(C)C)c2cccc(C(F)(F)F)c2)c1 588737206 HLXAKEJKYKMCIF-FQEVSTJZSA-N 434.458 5.112 30 20 IKED C=CCOc1ccccc1C(=O)Nc1ccc(OC)c(OCc2ccc3ccccc3n2)c1 590259199 VVMNLFWHBIVDBE-UHFFFAOYSA-N 440.499 5.640 30 20 IKED N#Cc1ccccc1CSCCNC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 603549595 YOAJEQFKMICIQR-NRFANRHFSA-N 425.554 5.081 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(COc4ccccc4)CC3)cc2)cc1 604460607 HTQNNPYCQRZZCP-UHFFFAOYSA-N 427.504 5.673 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c2)c1 604690965 SQVMJQVWBLJZGN-FQEVSTJZSA-N 442.425 5.372 30 20 IKED COc1ccc2cc(CN(C)C(=O)c3occc3COc3cccc(C#N)c3)ccc2c1 608810864 VOFIHTMXDLSTOE-UHFFFAOYSA-N 426.472 5.164 30 20 IKED Cn1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(C2CCCCC2)n1 608846886 GALBERDJTAHCHF-UHFFFAOYSA-N 434.927 6.037 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1 609081497 QSIGBQJKAGSMBI-AWEZNQCLSA-N 428.464 5.181 30 20 IKED CN(C)CCCOc1ccc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 609208880 ORPWOTXTXPBCDK-UHFFFAOYSA-N 444.535 5.003 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(COCc2ccccc2)c1 609398084 FSGMVAYYJMJMHZ-FQEVSTJZSA-N 445.588 5.977 30 20 IKED COc1ccc([C@@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1Br 609401986 QMHUCGLOJWDTHV-ZIAGYGMSSA-N 448.386 5.592 30 20 IKED CCOc1cc2c(cc1CNC(=O)Nc1ccccc1S[C@H](C)CC#N)O[C@@H](C)C2 609437219 WGYIYBJVQHSYGB-JKSUJKDBSA-N 425.554 5.125 30 20 IKED CC(C)n1cc([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cn1 609573073 YJUSEMJATCMQIX-INIZCTEOSA-N 437.931 5.451 30 20 IKED Cc1nc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)nc2ccccc12 610334757 FWQMKPTXGZFUNE-UHFFFAOYSA-N 427.439 5.063 30 20 IKED N#Cc1ccc(N2CCC(N[C@H](c3cc(Cl)cc(Cl)c3)C(F)(F)F)CC2)nc1 611995571 WPUCAKKUKGGSNS-GOSISDBHSA-N 429.273 5.122 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)cc12 613290586 HOBZHDKFSMTGLX-IBGZPJMESA-N 442.931 6.087 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)c1-c1ccccc1 617503227 ZVPVTAKWVXBVME-UHFFFAOYSA-N 434.368 5.370 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1NC(=O)c1ccccc1F 642365252 ZLPNHTVREOUIGO-UHFFFAOYSA-N 449.485 5.434 30 20 IKED O=C(Nc1ccc2c(c1)OC(F)(F)O2)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642464625 ZTWMQZDXNOZGJT-HTQZYQBOSA-N 434.283 5.039 30 20 IKED C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 669815829 DOUYFHIVYODFMJ-LJQANCHMSA-N 436.519 5.205 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674458628 IBQBHZASOPADOG-VXGBXAGGSA-N 435.286 5.083 30 20 IKED C#CC[C@H](OC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C)c1ccccn1 727775207 BPXWOYQOSFPNAN-SFHVURJKSA-N 442.899 5.418 30 20 IKED O=C(/C=C/c1nccn1CC(F)(F)F)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 728698111 CVLKVFKYMGMKTL-VMPITWQZSA-N 430.373 6.089 30 20 IKED C#Cc1cccc(N(Cc2nc(O)c3c(-c4ccco4)csc3n2)Cc2cccs2)c1 728926898 ZGHUTCQCNDHRFL-UHFFFAOYSA-N 443.553 5.907 30 20 IKED N#C[C@H](C(=O)CSc1cccc2cccc(Cl)c12)c1nc2cc(F)ccc2s1 730418237 UHTWRDSBULGHMT-CQSZACIVSA-N 426.925 6.211 30 20 IKED CCOC(=O)C1=C(Nc2ccccc2)O/C(=C/c2ccc(Oc3cccnc3)c(C)c2)C1=O 732713481 AFMNGUUZVWFDGY-PXLXIMEGSA-N 442.471 5.009 30 20 IKED C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@@H]2c2ccc(F)c(F)c2)c1=S 732980399 JSZWCEKPSSPHIA-OAQYLSRUSA-N 426.536 5.264 30 20 IKED N#CCCn1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)n1 735454283 PCWLHFSXGLSRPG-UHFFFAOYSA-N 446.308 5.027 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2s1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 744016599 OYGPFPLYZXFHCZ-VPWXQRGCSA-N 435.549 5.375 30 20 IKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(CSc3cc(C)ccc3C)c2)c1 744027328 QMNKGWXNPJLBAL-QHCPKHFHSA-N 444.556 5.566 30 20 IKED COc1ccc(C=Nn2c(S)nnc2-c2ccccc2Cl)cc1OCCC(C)C 747608367 XXOKBFYFWMCRIF-UHFFFAOYSA-N 430.961 5.203 30 20 IKED C=CCc1cc(CN[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc(OC)c1OC 747850741 GZIGXMXHDKDZRH-XMMPIXPASA-N 434.511 5.041 30 20 IKED CC1=C(C(=O)Nc2ccccc2)[C@H](c2cc(C#N)cs2)NC(=S)N1c1cccc(C)c1 747960149 HYDKXIYRENWNHU-QFIPXVFZSA-N 444.585 5.277 30 20 IKED N#C[C@@H](C(=O)CCCOc1ccccc1Cl)C(=O)Nc1ccc(SC(F)F)cc1 748003656 GGLZFRGIPREBAX-HNNXBMFYSA-N 438.883 5.161 30 20 IKED C/C(=C/C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1ccc(C(F)(F)F)cc1 748389865 JJATVYJBRIFIQZ-SSZFMOIBSA-N 440.421 5.403 30 20 IKED COC(=O)[C@@H](OC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)c1cccc(C#N)c1 751654730 ALEVNLUPVBRULX-KRWDZBQOSA-N 447.299 5.060 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(C3SCCS3)c2)cc1C#N 752174355 OWWVSMCNKSSEFI-UHFFFAOYSA-N 428.539 5.249 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)cc1 752225592 SFIOZXDCOPIHRK-OAQYLSRUSA-N 433.895 5.991 30 20 IKED CC(C)(C)OC(=O)N1CCc2c(NCc3cc(C#N)ccc3Br)cccc21 754887668 OIYFXQNRNDXQKH-UHFFFAOYSA-N 428.330 5.230 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(C(C)(C)C(F)(F)F)cc2)ccc1OC 764827439 CLELPUDRFDTSIR-SFHVURJKSA-N 434.458 5.146 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F 769946026 NOOMAOCIDLTKER-GEBKJHSDSA-N 448.872 5.758 30 20 IKED N#C[C@@H](COC(=O)c1ncoc1-c1ccccc1Cl)Cc1cccc(Br)c1 774400182 QGIRIQOZUZHAAC-AWEZNQCLSA-N 445.700 5.297 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1 778323374 HEGJCCYAKLTBPH-UYAOXDASSA-N 449.551 5.116 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2cc(Br)cc(C)c2O)ccc1OC 779032005 MGHCQSMAHQAGNT-YOEHRIQHSA-N 433.346 5.004 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1ccc2ccccc2n1 779195091 SKXYJOPAIJFCJP-QPPBQGQZSA-N 433.511 5.117 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 780678038 KELWDVAMDYCJED-BDJLRTHQSA-N 431.336 5.421 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/CCOc3cc(F)ccc3C2=O)cs1 781556347 XDJKBOFGUZDOLB-UVTDQMKNSA-N 442.899 5.669 30 20 IKED C#Cc1cccc(NC(=S)N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)c1 788680063 JKPCYVZGWODAKO-NRFANRHFSA-N 436.378 5.096 30 20 IKED CC(C)(CCC#N)COC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F 798878679 MVUOHIBBHZMZEO-UHFFFAOYSA-N 435.233 5.080 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)CC1 800112139 DFYYTIDMAWUYBL-PKNBQFBNSA-N 433.964 5.561 30 20 IKED C#CCN(Cc1ccccc1)C(=O)c1oc2ccccc2c1CSc1nnc(C)s1 809084865 DUGLWTMDFJXZQN-UHFFFAOYSA-N 433.558 5.161 30 20 IKED CCSc1cccc(Br)c1NC(=O)NCc1cccc(O[C@@H](C#N)CC)c1 810308763 JEECJESUVAIPRL-OAHLLOKOSA-N 448.386 5.564 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c1 814640428 GGTRZBVAFPLVHD-IBGZPJMESA-N 426.492 5.729 30 20 IKED N#CCc1ccc(NC(=O)CSC2=NC(=O)/C(=C\c3csc4ccccc34)S2)cc1 814772442 AVMKODOYOVAJCJ-YBFXNURJSA-N 449.582 5.310 30 20 IKED O=C(OC(c1cc(F)c(F)c(F)c1)c1cc(F)c(F)c(F)c1)c1ccn(C(F)F)n1 816477606 DGSHYAYVPCTLSR-UHFFFAOYSA-N 436.258 5.059 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2oc3ccccc3c2COC(C)C)cc1 852997959 LSRUXOHABVJCHE-LJQANCHMSA-N 448.519 5.158 30 20 IKED C=CCOc1c(Cl)cc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1OC 877845450 UJZXYLYUVYCXCJ-SFHVURJKSA-N 426.822 5.042 30 20 IKED N#C[C@@H](C(=O)COCc1nc2ccccc2s1)c1nc2cc(C(F)(F)F)ccc2s1 915104861 VONFNJGDNJIGIE-LBPRGKRZSA-N 447.463 5.318 30 20 IKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 915728875 DAPFJVLFEXAOBZ-DQEYMECFSA-N 425.532 5.184 30 20 IKED O=C(COc1ccc(C(=O)/C=C/c2csc(-c3ccccn3)n2)cc1)Nc1ccccc1 915984115 IVDQUHVWBLYNCL-SDNWHVSQSA-N 441.512 5.119 30 20 IKED COc1cc(/C=C(\C(=O)c2nc3ccccc3s2)c2ccccc2)cc(OC)c1OC 916133575 AAUBRUPKLGKGQH-AQTBWJFISA-N 431.513 5.746 30 20 IKED COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2OC)o1 916135367 UYYNVSWCNPMRER-XCVCLJGOSA-N 426.852 5.203 30 20 IKED CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cccc(C)c3c2Cl)cc1 916941965 FDTGDMUHOLILGS-HNNXBMFYSA-N 440.908 5.001 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)s1 917041081 PFWITMJEFZROTH-LBPRGKRZSA-N 428.489 5.344 30 20 IKED Cc1ccc(/C=C2\CC3(C/C(=C\c4ccc(C)s4)C2=O)C(=O)Nc2ccccc23)s1 917517573 ITKFWOBSNZSZAX-JYFOCSDGSA-N 431.582 6.146 30 20 IKED CCCn1c(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)nc2ccccc21 917536116 QDQJZTPRNOWMLN-UHFFFAOYSA-N 427.533 5.075 30 20 IKED COc1ccc(NC(=O)/C=C\c2ccccc2C#N)cc1NC(=O)c1ccc(Cl)cc1F 917787485 LDVPYAIKXOXVCK-WDZFZDKYSA-N 449.869 5.264 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccc(Cl)cc2)C2CC2)cc1 918415075 MQJYPBHDQQLUDX-DEOSSOPVSA-N 443.934 5.125 30 20 IKED CCOc1ccc(SCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920805971 HOVPCDWZBOXBCE-HNNXBMFYSA-N 430.501 5.456 30 20 IKED N#CCCN(Cc1ccccn1)Cc1nc(O)c2c(-c3ccccc3Cl)csc2n1 1644718564 QNEONIKLDZJLFD-UHFFFAOYSA-N 435.940 5.028 30 20 IKED CC(C)(Oc1ccc2ccccc2c1)C(=O)NC1(c2ccc(NC(=O)CC#N)cc2)CCC1 1787649876 XRXRDXJVSBYTQA-UHFFFAOYSA-N 441.531 5.045 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccccc4n3)cc2)CCC1 1788892455 IOAOGRPEWLUCQM-NRFANRHFSA-N 440.547 5.146 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)cc3Cl)CCC2)cc1 1791300778 CLPOYRZHKJXYHV-UHFFFAOYSA-N 448.897 5.308 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C(C)=C/c2ccc(C)o2)[C@H]1c1cccnc1 1810409175 JFHFOQNPGVJPJL-WSQLVENTSA-N 449.595 5.085 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C3CC3)cc2)[nH]n1 1819308799 CLHUKOGPHGKAHO-GMAHTHKFSA-N 432.568 5.361 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)[nH]n1 1821919932 BYATUOMXSJFKIV-AUUYWEPGSA-N 439.947 5.063 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(-c3ccccc3)n2)CC1 1827763025 GGZBYMYUNXYAMF-QFQXNSOFSA-N 445.607 5.194 30 20 IKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3Cl)CC2)c1 1829895476 YRTCTTXWSZGEFK-DEOSSOPVSA-N 449.982 5.067 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cccc(CC)c2)cc1 10174796 VHEGAQFLCQQXII-UHFFFAOYSA-O 443.636 6.029 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cccc([N+](=O)[O-])c1)=C(/S)Nc1ccc(Cl)cc1 10831788 MYDNAPDMEDDWJY-UHFFFAOYSA-O 440.932 5.149 30 20 IKED C[C@](C#N)(NC(=O)COC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12)C1CC1 11444083 MWKRYGXTGNRIAI-MUUNZHRXSA-N 449.510 5.020 30 20 IKED COc1ccc(OC)c(-c2csc(NC(=O)c3ccccc3-c3ccccc3C#N)n2)c1 18121150 DLNFFRZVDIEQJF-UHFFFAOYSA-N 441.512 5.618 30 20 IKED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CSc1ccc3ccccc3c1)CCCC2 33143739 HIMZPAZYKYIJND-HXUWFJFHSA-N 445.588 5.302 30 20 IKED CCN(C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)[C@H](C)c1ccc(C#N)cc1 58233230 BIDZBDWXIRIOSF-LJQANCHMSA-N 445.588 5.804 30 20 IKED C=CCc1cc(CNC(=O)N(Cc2ccco2)Cc2ccc(C)s2)cc(OC)c1OC 65389219 FWQGMFJICJTWTE-UHFFFAOYSA-N 440.565 5.307 30 20 IKED C=CCn1c(SCC(=O)Nc2cccc(-c3csc(C)n3)c2)nnc1-c1ccccc1 69303281 MJIDMAVXSKXYGN-UHFFFAOYSA-N 447.589 5.294 30 20 IKED N#C[C@H](C(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1nc2ccccc2n1C(F)F 195696788 UWNWTANXLPEBAX-MRXNPFEDSA-N 440.450 5.037 30 20 IKED N#Cc1ccc(NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1C(F)(F)F 302388252 IYYQSKABKLARES-UHFFFAOYSA-N 441.375 5.313 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1 303097064 GDSIEGAYOPEKFS-UHFFFAOYSA-N 437.952 5.652 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 303277583 JDKFSWUWYMUHHR-MJGOQNOKSA-N 429.545 5.083 30 20 IKED N#CC[C@H](CC(=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1)c1ccccc1 410172460 QREYMRWPGBXHKF-GOSISDBHSA-N 434.433 5.460 30 20 IKED Cn1ccc2c(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)cccc2c1=O 410350511 UNZNTWIIXYCEGA-UHFFFAOYSA-N 429.863 5.108 30 20 IKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[C@H](C#N)c3nc4c(C)ccnc4[nH]3)cc12 429576703 YQXAYAGBFBQERL-AWEZNQCLSA-N 446.923 5.119 30 20 IKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(OC(C)C)c(C#N)c1 435447922 JCWSBAGTFNSSCX-UHFFFAOYSA-N 430.291 5.868 30 20 IKED Cc1ccc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1NC(=O)c1ccccc1F 436352593 NZCZLUXIYLERJW-RCZVLFRGSA-N 441.506 5.298 30 20 IKED N#CCCCOc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c1 437033205 BAPQSHIGHGMTSB-UHFFFAOYSA-N 449.894 5.392 30 20 IKED Cc1cccc(Oc2cc(CNC(=O)Nc3ccccc3S[C@@H](C)CC#N)ccn2)c1C 438080449 XFFMECMURXADFR-SFHVURJKSA-N 446.576 6.207 30 20 IKED CCCc1c(NC(=O)N2CCCCC[C@@H]2c2ccncc2)cnn1-c1cccc(C#N)c1 439701113 IHBUMDUAVYDEOL-HSZRJFAPSA-N 428.540 5.241 30 20 IKED N#CCCN(C(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl)c1ccc2c(c1)OCCO2 442733479 YWJHEMIUTPWIRB-UHFFFAOYSA-N 442.302 5.320 30 20 IKED CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 444859379 ZTEPOJBXWIIKGD-FQEVSTJZSA-N 435.959 5.680 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 448302600 NTLZACHWEVUBKP-LEWJYISDSA-N 439.441 5.195 30 20 IKED CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1ccccc1Cl 460721048 QUCBTWSLAIKQCA-JOCHJYFZSA-N 435.959 5.238 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)cc1C 461189074 FDSFGSUPNOZNRJ-QPPBQGQZSA-N 426.564 5.346 30 20 IKED N#Cc1cccc(-n2ccc(C(=O)N3CCC(c4cccc(Cl)c4Cl)CC3)n2)c1 462422362 YMZIGTJAMUNJEC-UHFFFAOYSA-N 425.319 5.071 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c1 462918507 IKMLTTBSUFOIDC-NTKDMRAZSA-N 432.907 5.654 30 20 IKED COc1ccccc1O[C@@H](C)CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 466312385 PPZUVKYKVGKSPN-LAUBAEHRSA-N 449.938 5.593 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)cc1 468108959 GYYFXETVKLBOQI-QFIPXVFZSA-N 425.410 5.182 30 20 IKED C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(Br)s1 468171347 YJQQHQKXIBWHRK-GFCCVEGCSA-N 431.311 5.045 30 20 IKED N#Cc1ccc(-c2nnc(CNc3ccc(Oc4ncc(Cl)cc4Cl)cc3)o2)cc1 471610370 MMPXASDGYIKHPP-UHFFFAOYSA-N 438.274 5.714 30 20 IKED CC(C)(C)OCc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)no1 471747635 WGDAMXALVDNGNB-UHFFFAOYSA-N 425.872 5.559 30 20 IKED N#C[C@@H](C(=O)c1ccc2nc(C(F)(F)F)cn2c1)c1nc(-c2c(F)cccc2F)cs1 473531637 ZZIRBBNPTULHCL-NSHDSACASA-N 448.376 5.245 30 20 IKED CC[C@H](c1nnc(SCc2ccc(Cl)cc2C#N)n1-c1ccc(OC)cc1)N(C)C 479201241 CIVKEDRZQKPTIN-HXUWFJFHSA-N 441.988 5.106 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2cc(Br)ccc2N2CCCC2)c1 479320389 MZHZBZOLPRFZFZ-UHFFFAOYSA-N 443.345 5.376 30 20 IKED CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F 481490713 YXMCXHIZYBLSQF-MRXNPFEDSA-N 438.343 5.212 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(OC2CCCC2)c(OC)c1 482571692 BLMYXSIQWAVUKO-UHFFFAOYSA-N 440.588 5.082 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(F)c(F)c3)n2)nnc1-c1ccccc1OC 483119803 MADZRHPMSAUXIL-UHFFFAOYSA-N 440.475 5.365 30 20 IKED CC1(C)CN(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)CC[C@@H]1C(F)(F)F 484181206 VNLDIRUUGAUJEU-AWEZNQCLSA-N 444.391 5.546 30 20 IKED C=CCSc1ccccc1C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 485469182 UDCUPQDZESAUQN-UHFFFAOYSA-N 442.338 5.562 30 20 IKED CC(C)n1ncc2c(C(=O)N(CCC#N)C34CC5CC(CC(C5)C3)C4)cc(C3CC3)nc21 486573099 QSVYXNZBCFVWNW-UHFFFAOYSA-N 431.584 5.214 30 20 IKED Cc1cc(C)n(Cc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2)n1 488185177 UDELWASZHRUPFV-QFIPXVFZSA-N 437.528 5.034 30 20 IKED Cc1ccc2nc([C@H]3CCCN(C(=O)c4cccc(Oc5ccc(C#N)cc5)c4)C3)[nH]c2c1 489957180 NMHJZQAIYDLYPH-NRFANRHFSA-N 436.515 5.555 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](C)c1sc(-c2ccccc2)nc1C 495625803 RBPWSKUTGUTJHS-WMZOPIPTSA-N 425.623 5.434 30 20 IKED CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H]1c1ccc(OC)cc1 499430472 HEXZIOXHLOAGLP-UKILVPOCSA-N 447.579 5.215 30 20 IKED C=CCc1cc(CN[C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)cc(OC)c1O 500891813 GHRCULVTAGYTLD-AWEZNQCLSA-N 428.985 6.065 30 20 IKED Cc1cccc(C)c1NC(=O)CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 503639620 LVUBGOFDLKVCEO-OAQYLSRUSA-N 446.938 5.373 30 20 IKED CN(C(=O)c1cccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1)c1ccccc1 505338314 OKLURSFGJCUXQX-FQEVSTJZSA-N 438.314 5.265 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 505426359 AVRDJPIRYGSQAZ-UHFFFAOYSA-N 444.004 5.529 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 506827252 QFVPQZRZMDNEST-UHFFFAOYSA-N 432.499 5.368 30 20 IKED C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 508738509 GLZJBXJKAWDJEJ-JTSKRJEESA-N 431.565 5.016 30 20 IKED O=C(NCc1ccc(OCC(F)(F)F)cc1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 508767555 ZEJZIVMDSPFINN-MRXNPFEDSA-N 438.343 5.260 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 513043891 JCVLASXFOKWNEP-UHFFFAOYSA-N 437.049 5.562 30 20 IKED N#Cc1c(NC(=O)CCN[C@H](c2c[nH]c3ccccc23)C(F)(F)F)sc2c1CCCC2 513174023 NNTPWOPQVPKXBS-HXUWFJFHSA-N 446.498 5.202 30 20 IKED C=CCN(CC=C)C(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1[C@@H](C)c1ccccc1 515487671 NDSRINLXGVLLMD-PMACEKPBSA-N 432.593 5.236 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1OC 515716628 POXMUAVDYJJMOV-MRXNPFEDSA-N 432.480 5.036 30 20 IKED C[C@@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(OCC(F)(F)F)cc1 516759178 TZDKYLNFCUHWGB-CQSZACIVSA-N 444.375 5.058 30 20 IKED N#C[C@H](NC(=O)CCCOc1cccc(Br)c1)c1cccc(C(F)(F)F)c1 517605322 RMYLWEGNJFMYFQ-KRWDZBQOSA-N 441.247 5.008 30 20 IKED C[C@H](Nc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1[N+](=O)[O-])c1ccccn1 517795703 LCKXZEPUWAXVLC-GOEBONIOSA-N 443.488 5.263 30 20 IKED CC(C)(CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccccc1Cl 518259916 SMDRZVJFIDXQGN-UHFFFAOYSA-N 447.922 5.036 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1csc(-c2ccsc2)n1 519415329 JAGHZKBMCVQVLK-AWEZNQCLSA-N 445.660 6.138 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NCC(=O)Nc2cccc3ccccc23)cc1 521238081 OKORRPLPWGJFAX-UHFFFAOYSA-N 439.446 5.011 30 20 IKED CCN(C)Cc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 522091541 GRDGTSILOUQTID-UHFFFAOYSA-N 444.535 5.133 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccccc2COCc2ccccc2)c1 523272936 MTBABTZEYBVVAT-UHFFFAOYSA-N 438.483 5.699 30 20 IKED CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 523556759 LWVYWUNYZQJBSO-VWNXMTODSA-N 432.955 6.396 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3cccc(NC(=O)CCCc4cccs4)c3)[nH]c12 524033052 AEGRAGGTSNOISO-HXUWFJFHSA-N 442.544 5.384 30 20 IKED Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)cc2)n1 524337296 BAQIYGFQPIJGOS-SANMLTNESA-N 436.515 5.063 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3COCc3ccccc3)o2)cc1 524386145 MMOLRKLMVLCQNE-UHFFFAOYSA-N 438.483 5.699 30 20 IKED C=CCN(Cc1cccc(C#N)c1)Cc1csc(N(C(C)=O)c2ccccc2CC)n1 534486803 KUKXILKMMWVWIQ-UHFFFAOYSA-N 430.577 5.450 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)c3cc(OC(F)F)cc(OC(F)F)c3)n2)cc1 539515307 QBFDACHQCAKZDL-UHFFFAOYSA-N 437.374 5.137 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 540816320 NQQWJUBUAYVHPY-APWZRJJASA-N 432.553 5.092 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3C(=O)c3ccccc3)n2)cc1 541203616 XWQZOBYDMYLTLU-QFIPXVFZSA-N 438.508 5.540 30 20 IKED COc1cc(NC(C)=O)ccc1NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542031113 ADJAFUPBARRXCE-INIZCTEOSA-N 428.492 5.075 30 20 IKED CC(C)Oc1ccc(NC(=O)c2c(Br)cccc2Br)cc1C#N 545561833 QOEBOTHPSHCMBI-UHFFFAOYSA-N 438.119 5.123 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1-c1nc([C@H]2CCO[C@H](C)C2)no1 545803892 SNWUWYGVJQDUGL-ZBFHGGJFSA-N 438.553 5.358 30 20 IKED Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(C#N)(c3ccccn3)CC2)cc1Cl 548799156 JQUJILTYTCUJNT-XMMPIXPASA-N 444.966 5.281 30 20 IKED CCc1oc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1C(=O)OC 549116913 ILOYVOBFRAYQSD-ZDUSSCGKSA-N 449.315 5.549 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 554212967 NYMCBGCZQONCGQ-SJLPKXTDSA-N 447.526 6.511 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C1(c2cc(F)cc(Br)c2)CC1 554713662 CKJWVJIZPWLVEC-ZDUSSCGKSA-N 433.346 5.510 30 20 IKED C=C(C)Cn1c(-c2sccc2C)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 558965724 UXWUUFGYDCTKEI-INIZCTEOSA-N 443.642 5.223 30 20 IKED C[C@@H](NCc1cccc(OCCCC#N)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 559072229 YPSWSJYPNFBUGP-LJQANCHMSA-N 431.511 5.611 30 20 IKED N#C[C@H](C(=O)c1csc(Cc2ccc(F)cc2)n1)c1nc2ccccc2n1C(F)F 559295853 MQDJYLASLUSNIX-CQSZACIVSA-N 426.423 5.108 30 20 IKED O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1cc(F)c(F)c(F)c1F 560811209 JNCVBXBEAUGLGA-SFHVURJKSA-N 435.339 5.160 30 20 IKED C=CCOc1c(Br)cc(CNc2cccc(C(=O)N(C)CC)c2)cc1OCC 563911862 PPUSSPLLPYIZQJ-UHFFFAOYSA-N 447.373 5.117 30 20 IKED CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)c2cc(-c3cccc(C#N)c3)no2)cc1 576905742 SUVJUTIHSUZPFF-AREMUKBSSA-N 436.515 5.422 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3Cc4ccccc4C[C@H]3c3ccccc3)CC2)c(F)c1 576964998 JDICYGSXALVICM-MHZLTWQESA-N 439.534 5.240 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cn(-c3ccc(Cl)cc3)nn2)cc1Cl 603766927 ZUZLYRMLTYHQOW-HXUWFJFHSA-N 448.313 5.482 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)o1 603949456 IICOTCHNVCXKQV-UHFFFAOYSA-N 434.455 5.526 30 20 IKED O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1 604096826 DKKINFBDADAKDY-UHFFFAOYSA-N 448.338 5.389 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCCOc1ccc(Br)cc1 609436673 QYYRKWITXHHQBM-CQSZACIVSA-N 434.359 5.044 30 20 IKED Cn1ccnc1Sc1ccccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 609502533 FFVYAMXWSGKIIG-UHFFFAOYSA-N 440.528 5.682 30 20 IKED CCc1ccc(-c2nc(CC(=O)N[C@@H](C#N)c3ccccc3Br)cs2)cc1 609590975 IFOWIJYLLXWUOO-IBGZPJMESA-N 440.366 5.059 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3cc(F)ccc3OC[C@@H]3CCCO3)c2)cc1 609644013 FGFSIMQWOZSEJD-QHCPKHFHSA-N 446.478 5.086 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccccc2OC2CCC2)cc1 609822405 VFKKQACJGCCKLE-UHFFFAOYSA-N 428.557 5.712 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1csc(-c2ccoc2)n1 609970726 DUCOMPCIRHIESK-UHFFFAOYSA-N 437.468 5.609 30 20 IKED N#C[C@@H](C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1nc(-c2ccccc2)cs1 613392531 SAUCYLNAHJMNLN-IBGZPJMESA-N 428.492 5.114 30 20 IKED N#C[C@H](C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1nc2cc(Cl)ccc2s1 613407023 DDMGKIFSFHBQGL-GOSISDBHSA-N 449.894 5.831 30 20 IKED N#Cc1ccc(CNC(=O)Nc2cccc(COCCOc3ccccc3)c2)cc1Cl 619787364 HKCGCXHPFSIQGX-UHFFFAOYSA-N 435.911 5.129 30 20 IKED CC(C)(C)Oc1cc(F)ccc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 678017808 FJZGBFPFBVORJT-PHIMTYICSA-N 430.364 5.598 30 20 IKED C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 685548283 FVYADQVHQPWPCW-CRAIPNDOSA-N 438.469 5.302 30 20 IKED Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=Nn1cnnc1-c1ccccc1 725856446 RRJCXWPOHGDAFT-UHFFFAOYSA-N 445.741 5.341 30 20 IKED C#Cc1cccc(NC(=S)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)c1 726483184 OPYXWPHZHNGBQA-UHFFFAOYSA-N 432.420 5.270 30 20 IKED Cc1ccc(C)c(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(C)c2)c1 726571493 VTMVDFZLUBPOFL-UHFFFAOYSA-O 434.972 5.748 30 20 IKED CC(C)CC(=O)N[C@H](C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccccc1 727628378 KJHYXRGPMDYBOK-JXFKEZNVSA-N 425.941 5.030 30 20 IKED CC[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccccc1OC 728119104 IJQYJAUBKWLAHF-HSZRJFAPSA-N 429.520 5.727 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCOc2ccccc2C(F)(F)F)cc1 730124775 FKMFQDFZIQXAND-FQEVSTJZSA-N 439.437 5.561 30 20 IKED COc1ccccc1C/C(C)=C\C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 730172224 FOXIXHDFFUTSAL-ZZEZOPTASA-N 426.516 5.468 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(OCc2ccccc2)cc1)[n+]1ccc(CC)cc1 730439930 HKEZZCVHOZSLHE-UHFFFAOYSA-O 445.608 5.492 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 731331494 HGWHZGZVTUJHMN-UHFFFAOYSA-N 443.503 5.879 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)O[C@H](c3ccncc3)c3ccc(F)cc3)cc2)nc1 732499623 CWLRDFJWBLVRDX-DEOSSOPVSA-N 425.419 5.226 30 20 IKED C=CCN(CC1CCCCC1)C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 732697486 ZUUIXBKWHTZRFV-UHFFFAOYSA-N 440.613 5.247 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1 735398715 KGUPMFJFSPHZQU-HXUWFJFHSA-N 434.442 5.300 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)CSc3nccn3-c3ccc(C(C)C)cc3)[nH]c12 735788596 FVRFNYWEVPIMAH-IBGZPJMESA-N 429.549 5.149 30 20 IKED COc1cc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2C)cc(Br)c1OC(F)F 739423740 CIRDLZIRJMRVAY-GQCTYLIASA-N 442.212 5.172 30 20 IKED N#Cc1ccc(-c2cccc(CNc3ccc(C(=O)N4CCc5ccccc54)cn3)c2)s1 739890408 KABCBJPGJZWBRV-UHFFFAOYSA-N 436.540 5.497 30 20 IKED C/C(=C\C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c1ccccc1C(F)(F)F 741903394 RJRVLGRZBSUFNK-GXDHUFHOSA-N 426.360 5.571 30 20 IKED CCOc1cc(-c2ccccc2)sc1C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1 744813570 XPENRGYDADFUBZ-UHFFFAOYSA-N 431.473 5.092 30 20 IKED N#C[C@H]1C(CN(Cc2ccccc2)Cc2ccccc2F)=CC(=O)n2c1nc1ccccc12 746155872 BHTYMDCFOOEFMG-QFIPXVFZSA-N 436.490 5.065 30 20 IKED COc1ccc(/C=C2/CCOc3cc(Br)ccc3C2=O)cc1OCCCC#N 747361504 QVCYDVSAZQMKJL-VBKFSLOCSA-N 442.309 5.189 30 20 IKED CC1=C(C(=O)Nc2ccccc2C(C)C)[C@H](c2cc(C#N)cs2)NC(=S)N1C1CC1 747960108 OJRFBEXUARIKAA-NRFANRHFSA-N 436.606 5.049 30 20 IKED C=CCN1C(=O)N[C@@H](c2ccc(F)cc2C)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 751262335 XCZXUHNNXZRXAU-FQEVSTJZSA-N 447.432 5.318 30 20 IKED N#Cc1cccc(COc2cccc(/C=C\C(=O)c3c(F)cccc3N3CCOCC3)c2)c1 764433103 CCWHRALGRBXGNI-KHPPLWFESA-N 442.490 5.009 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C(C)=C/c1c(Cl)cccc1Cl 766842573 ZHGUILWQHOUYJT-SZEUEKNRSA-N 429.347 5.869 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(COc3ccccc3F)on2)cc1 767072871 UEBMNTJNBVEYHE-NRFANRHFSA-N 427.435 5.300 30 20 IKED CC(=NOCc1cc(-c2cnn(C)c2C)no1)c1ccc(OCc2ccc(F)cc2)cc1 767099592 YOGMOEODTYJJJN-UHFFFAOYSA-N 434.471 5.042 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)Nc3ccc(-c4ccccc4)cc3)n2)cc1 768124811 CBCDNZIILFEGTG-JOCHJYFZSA-N 425.513 5.732 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)cc1 768971421 VLKHIQQTPRQNOW-ZONZVBGPSA-N 447.542 5.589 30 20 IKED C=C(C)[C@@H](NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1)c1ccc(F)c(F)c1 772321864 QTUJOCWORSCSOJ-QGZVFWFLSA-N 428.357 5.123 30 20 IKED CC(C)[C@H]1C[C@@H]1C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 774270773 GJGLYVCEVMKTHT-RQJHMYQMSA-N 442.240 5.263 30 20 IKED N#CCc1ccccc1CC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F 776836289 CSYAXSRYJMXVSU-QHCPKHFHSA-N 437.312 5.103 30 20 IKED O=C(O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cc(OCC(F)F)ccn1 778027221 HEJPVMAFLYYDFM-AWEZNQCLSA-N 429.263 5.205 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 780154432 SBRNYPCIJWFUNN-CYBMUJFWSA-N 432.423 5.857 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3ccccc3O[C@@H](C)C#N)c3c(C)noc3n2)c(C)s1 780159934 DTIFOHRQACNIKD-LBPRGKRZSA-N 432.505 5.420 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)nn1C1CCCCC1 787047126 ASXJYIXKIHXNIV-RDTXWAMCSA-N 447.366 5.203 30 20 IKED C[C@@H](Oc1ccc(C(=O)OCC(=O)Nc2ccccc2SCC#N)cc1)c1ccccc1 788225743 KQIHSZVXLOMUDR-GOSISDBHSA-N 446.528 5.238 30 20 IKED CC(C)n1nccc1/C=C1/CC(C#N)(c2ccccc2)C/C(=C\c2ccnn2C(C)C)C1=O 794933980 OIEBRYLYKFZQRH-BILXGNRESA-N 439.563 5.533 30 20 IKED Cc1cccc(Oc2ccccc2C(=O)OCC(=O)Nc2ccccc2SCC#N)c1 799555060 PUDGQTHBUHNONS-UHFFFAOYSA-N 432.501 5.199 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2c3ccccc3CC23CCOCC3)cc1 810158883 VUSPYYLSZORLCH-IZZNHLLZSA-N 437.543 5.558 30 20 IKED CCOC(=O)c1cccc(NC(=O)c2cccc(NCc3ccc(O[C@@H](C)C#N)cc3)c2)c1 811519642 ZHYGOGZDGPVYSL-SFHVURJKSA-N 443.503 5.019 30 20 IKED CC(C)(C)OC(=O)NCCC[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1 811971442 GJLCWJCRQRVOSZ-QFIPXVFZSA-N 435.568 5.264 30 20 IKED Cc1ccc2snc(C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)c2c1 816039259 RLMIYETZPYJJAW-XHDPSFHLSA-N 432.332 5.111 30 20 IKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)c1 837383786 QIOFCJBKLAXAKG-XMSQKQJNSA-N 444.560 5.112 30 20 IKED O=C1/C(=C/c2ccc(-c3ccccc3Br)s2)CS(=O)(=O)c2ccccc21 912778907 BTLLWYXOPHPUBF-ACCUITESSA-N 445.359 5.231 30 20 IKED CC(=NOCC(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccc(NC(=O)C2CC2)cc1 914572143 BBZXKACOUVZICO-UHFFFAOYSA-N 435.568 5.661 30 20 IKED N#C[C@H](C(=O)c1cc(Cl)c2c(c1)OCCO2)c1nc2cc(C(F)(F)F)ccc2s1 915105088 YRILIMKZDOFSTI-LLVKDONJSA-N 438.814 5.230 30 20 IKED C=CCN1C(=O)/C(=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)SC1=S 915841810 JZPWKAORRPRYQY-LICLKQGHSA-N 449.384 5.633 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(C2CC2)C1=O)Nc1ccccc1 916217755 WOCQQYHWYYAOAE-KRWDZBQOSA-N 434.348 5.116 30 20 IKED Fc1ccc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)cc1Br 916278118 ASSCTROLJJJLTP-UHFFFAOYSA-N 441.329 5.095 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc(-c2ccc(F)cc2)n1 916887812 RFIANQIWRJGWOH-HNNXBMFYSA-N 447.463 5.225 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cc(C)n(Cc2ccccc2)c1C 916901295 DPTXZDNUWHKXJC-FQEVSTJZSA-N 449.938 5.085 30 20 IKED C[C@H](Sc1ccc(Cl)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916927625 MRAQIMSHXWINRU-HZMBPMFUSA-N 427.740 5.475 30 20 IKED N#CCOc1cccc(NC(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)c1 919844152 AOMHRCQORFZNCM-UHFFFAOYSA-N 441.256 5.535 30 20 IKED N#C[C@H](C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1)c1ccc2ccccc2n1 920105874 HGTAVYDTGCRACI-OFVILXPXSA-N 443.506 5.035 30 20 IKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccccc2Cl)s1 920170715 NWPVMDSXEJGABJ-UGSOOPFHSA-N 448.013 5.071 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)OC[C@@H](C#N)Cc4ccc(F)cc4)cc3)o2)cc1 920879937 OKYIGWXXDADDCN-LJQANCHMSA-N 441.462 5.390 30 20 IKED N#CCOc1cccc(NC(=O)c2oc3ccccc3c2CSc2ccccc2F)c1 921148519 YXHPHBHLIFLIGW-UHFFFAOYSA-N 432.476 6.019 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 921284584 SOAXEBBRSXOESV-KRWDZBQOSA-N 428.517 5.232 30 20 IKED Cc1cc[nH]c1C(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789507773 VHYYSWLXSHDAJO-UHFFFAOYSA-N 435.644 5.122 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cccc(SC)c3O)cc2)CCC1 1790067861 LNALLEXNOBEZHS-UHFFFAOYSA-N 436.577 5.055 30 20 IKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)C4CC5(CCC5)C4)CCC3)cc2)c1 1790766198 NCIJONYTSDWABW-UHFFFAOYSA-N 431.511 5.025 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnc4cc(C)ccn34)cc2)CCC1 1790969540 XTKRDMMFYAGYAJ-UHFFFAOYSA-N 444.579 5.383 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2csc(C)c2C)[C@H]1c1cccnc1 1810494248 CUTSFQZDSTXUBG-UNMCSNQZSA-N 439.625 5.072 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccnc1 1811954975 PRQRLHHQPDWPFN-JIMJEQGWSA-N 445.607 5.293 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)ccc2C)[C@@H]1c1cccnc1 1813768076 JNNVABCCTXEFRP-VWNXMTODSA-N 433.596 5.010 30 20 IKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 1826691142 LQVNJTVEJKUUQL-GOSISDBHSA-N 444.000 5.092 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc(C)cc(F)c2)CC1 1831954081 WHKBHMAZQYYKTE-JWQCQUIFSA-N 440.603 5.065 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(CC)cc2)cc1 10173428 FHQWXTDJVNDWSV-UHFFFAOYSA-O 434.541 5.058 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N2CC[C@H](C)Sc3ccccc32)n1 10399431 BIEAESSMJDHVQA-ZDUSSCGKSA-N 437.512 5.290 30 20 IKED Cc1ccc(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1[N+](=O)[O-] 16095869 NNKKHFWCPCDWJL-LJQANCHMSA-N 441.896 5.013 30 20 IKED O=C(CSc1nc(-c2ccccc2)cs1)NCC#Cc1cccc(C(F)(F)F)c1 24012659 YCZHYRHOEZTPIW-UHFFFAOYSA-N 432.492 5.089 30 20 IKED CCn1c(SCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)nnc1-c1cccs1 45631254 DKKKJGFDZSPQSG-UHFFFAOYSA-N 446.001 5.027 30 20 IKED C=CCN(CCc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 62403684 SZENBODGISUFSK-UHFFFAOYSA-N 425.532 5.594 30 20 IKED C=CCc1ccc(OCC(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc2C)c(OC)c1 107517447 LMLYNQRGXKXXNW-UHFFFAOYSA-N 445.519 5.394 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1nc(-c2ccncc2)cs1 195662544 YINUCVCJXGCNAZ-KRWDZBQOSA-N 434.908 5.323 30 20 IKED CC1CCC(N2C[C@H](C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)CC1 303317890 HEMZISMZAQKWOE-RUDKAOKKSA-N 441.984 5.067 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 303421727 CVOUSWJGPSBNMN-UHFFFAOYSA-N 435.911 5.079 30 20 IKED N#CCOc1ccc(CC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 303461098 LSDAIDPVLABJSE-UHFFFAOYSA-N 432.332 5.124 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cn2)c1-c1ccccc1 428936814 BKOJQJLXDWIRNT-UHFFFAOYSA-N 443.894 5.557 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F)c1ccccc1 432796515 HPFCFCUZUJJKBB-OAQYLSRUSA-N 446.530 5.367 30 20 IKED COC(=O)[C@H](Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)c1cccc(C#N)c1 434874078 OIAXJLXLUQDBKY-HXUWFJFHSA-N 427.382 5.091 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C(=O)Nc2csc3ccccc23)cc1 437379974 KUYLTJKJCXVMAB-UHFFFAOYSA-N 443.503 5.080 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F 437972733 SFCSQIMUWIYONZ-WXTAPIANSA-N 443.522 6.200 30 20 IKED CC(C)Oc1ccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c(C(F)(F)F)c1 438012600 QFPYWCJTAPTCPE-NQIIRXRSSA-N 431.458 5.796 30 20 IKED C=CCn1c(S[C@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)nnc1-c1ccoc1C 438811924 MVOXRJXJNIOOIG-INIZCTEOSA-N 438.336 5.346 30 20 IKED N#CCCCC[S@@](=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 447118712 HEQPXFWVPPNWIA-HHHXNRCGSA-N 442.382 5.244 30 20 IKED C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 460812555 JVRYUOCSHBHEIC-UGKGYDQZSA-N 426.605 5.217 30 20 IKED C[C@H](C(=O)N(C)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1cccc(C#N)c1 463814317 LVGYXTUHCCYHDJ-HNNXBMFYSA-N 425.410 5.531 30 20 IKED COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 466059658 SUOVDARIAGZNHP-XNMGPUDCSA-N 441.531 5.192 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@@H]3CCCOc4c3ccc(Cl)c4Cl)ccc21 469286496 HHQJBAZPGDMOMM-LJQANCHMSA-N 444.362 5.902 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H](C)O[C@H](c2ccsc2)C1 470779320 MRCMLBJSHWVFOA-SBUREZEXSA-N 433.533 5.714 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2cccc(OC(F)(F)F)c2)cc1 470786428 ZKIABMPALKTAKZ-UHFFFAOYSA-N 447.457 5.063 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c1 474882061 XXBSPUICLHVMSA-UHFFFAOYSA-N 430.470 5.532 30 20 IKED N#C[C@H](C(=O)c1ccc(N2CCCC2)nc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 478097287 QDTSJTBEGGXZON-MRXNPFEDSA-N 443.359 5.602 30 20 IKED Cn1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1NC(=O)C[C@@H](CC#N)c1ccccc1 480098132 ZPCMCRXFJGTIOZ-MRXNPFEDSA-N 446.860 5.785 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSc1nccc2ccccc12 480825479 ZDJKXWTUPLXRIX-UHFFFAOYSA-N 426.501 5.333 30 20 IKED N#C[C@@H](C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1cnc2ccccc2n1 483236424 YHVLHDLJPCJMAQ-HXUWFJFHSA-N 435.512 5.060 30 20 IKED Cc1ccc(C(=O)c2c(NC(=O)C[C@H](CC#N)c3ccccc3)sc3c2CCOC3)cc1 484056153 JQSLOFPSANNQRD-FQEVSTJZSA-N 444.556 5.386 30 20 IKED C=C(C)Cn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccncc1 489422385 HECGUFAKQBTQCH-ZDUSSCGKSA-N 448.379 5.342 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2cccc3[nH]ccc23)cc1 494766627 BGBCYCSQWPLATJ-UHFFFAOYSA-N 426.476 5.504 30 20 IKED O=C(NCc1cc(F)cc(F)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 497857925 ITYMPKWTBCQVBH-UHFFFAOYSA-N 449.301 5.118 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCCC(=O)c2ccccc2)cc1Cl 498212042 WQCDERBIEVMGHJ-QHCPKHFHSA-N 430.935 6.377 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)C(C)(C)c2csc(-c3cccs3)n2)cc1 501521478 YLVOQSXTHCQDAY-UHFFFAOYSA-N 426.567 5.095 30 20 IKED COc1cc([N+](=O)[O-])c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1SC 503584856 KQEURQBNAMEDSA-OAHLLOKOSA-N 439.518 5.247 30 20 IKED Cc1sc(NC(=O)CCCCOc2cccc(C#N)c2)nc1-c1c[nH]c2ncccc12 503907565 GFMPACJBZGQNRX-UHFFFAOYSA-N 431.521 5.054 30 20 IKED N#C[C@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccc(Cl)cc1 505824665 GODVUMSFCFKEPK-KRWDZBQOSA-N 430.316 5.302 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1c(F)cccc1F)C(F)(F)F 506292464 MTYFZPKBLGHUNN-BUXKBTBVSA-N 443.441 5.191 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 508281373 SFZBYVPDKXYJMX-UHFFFAOYSA-N 438.487 5.451 30 20 IKED CCOc1ccc(C2=CCN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)CC2)cc1 509651564 LERKWRYYZBBLFK-UHFFFAOYSA-N 428.488 5.058 30 20 IKED CCN(c1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cn1)C(C)C 509777886 SGQUWRMKRGHUNB-UHFFFAOYSA-N 428.536 5.214 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 510022397 CWBDXYRARZKQBI-ZCYQVOJMSA-N 445.950 6.373 30 20 IKED COc1ccc(C[C@H](C)C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1OC 510300586 WSRFNMFIXWRMCE-IBGZPJMESA-N 446.522 5.122 30 20 IKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)nnc1-c1cccnc1 513242833 YRMHROSIXXJKGB-UHFFFAOYSA-N 445.335 5.175 30 20 IKED CCCC(=O)Nc1cccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1C 513477552 SVTSHUZUJNLPGC-UHFFFAOYSA-N 427.504 5.437 30 20 IKED COc1cc(C(=O)Nc2sccc2C#N)ccc1OCc1ccc(Cl)cc1Cl 514613288 FZPBTYIYWKGBFK-UHFFFAOYSA-N 433.316 5.766 30 20 IKED CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 516111176 LASAEZXSNVBRJW-UHFFFAOYSA-N 445.906 5.164 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccccc2SCc2cccs2)n1 516351815 BXEDYOOVSJRCHZ-OAHLLOKOSA-N 428.560 5.164 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cccnc1Oc1cccc(F)c1 517474172 VWQMRTKNXHMBJI-MRXNPFEDSA-N 436.512 5.586 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Br)cc3C)n2)cc1 517800993 VRXMDHLODVAKJT-KRWDZBQOSA-N 427.323 5.380 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1NC(=O)c1ccccc1F 518739090 MZMAZWVJSQHSJU-QGZVFWFLSA-N 447.535 6.033 30 20 IKED CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)CC[C@@H]1C(F)(F)F 519605534 MLOAJLKFDXAIIB-SFHVURJKSA-N 445.514 5.341 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N(Cc2ccccc2)Cc2cc[nH]n2)cc1 520193518 UBOAHGVVUNJUEO-UHFFFAOYSA-N 426.451 5.055 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)cc1 521696853 DJQBQYIIXYRKON-KRWDZBQOSA-N 434.565 5.225 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1COc2ccc(Cl)cc2C1 521734280 LOHIIFOIFYMQIX-ZDUSSCGKSA-N 440.874 5.554 30 20 IKED COc1cc(C[S@](=O)Cc2ccc(F)cc2Cl)ccc1OCc1cccc(C#N)c1 522662553 YTBKOZKCICKQTE-PMERELPUSA-N 443.927 5.387 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)C3CCC(NC(=O)CC4CCCCC4)CC3)c2C#N)C1 522978123 MYUHNUROUNORNU-IVMQYODDSA-N 441.641 5.328 30 20 IKED N#CCCN(Cc1cccnc1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1 525065686 OEMOOMMCOVKPNL-UHFFFAOYSA-N 426.303 5.737 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H](C)c1sc(-c2ccccc2)nc1C 525761180 ABOJLDQMDJZFQZ-HKUYNNGSSA-N 448.592 5.113 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)Cc1cccc(C#N)c1 531153475 KXMOFJJPTSPKBQ-CYBMUJFWSA-N 440.366 5.173 30 20 IKED Cc1cc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)ccc1NC(=O)c1cccs1 534052818 CZQQLMQHXFVMDA-UHFFFAOYSA-N 444.541 5.556 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(OC4CCC4)cc3Cl)c2)c1 534621619 JUROYGMCQHBINC-UHFFFAOYSA-N 445.906 5.648 30 20 IKED Cc1nnc(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)n1[C@H]1CCC[C@H](C)C1 536089400 GQNWWJCCFGLFIF-HOCLYGCPSA-N 443.642 5.271 30 20 IKED COc1ccc([C@H](NCCCC2(C#N)CCOCC2)c2ccccc2Cl)c(OC)c1 537507825 UWLKPZLMAQDHNF-HSZRJFAPSA-N 428.960 5.137 30 20 IKED CC(C)N(Cc1ccc(NC(=O)N(CCC#N)Cc2ccco2)cc1)C[C@H]1CCCCO1 539351234 KPFWSUHKQBYTBP-HSZRJFAPSA-N 438.572 5.007 30 20 IKED Cc1nn(C)c(C)c1[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C(F)(F)F 540815295 HYPFQIXHHAFPNV-FQEVSTJZSA-N 443.429 5.126 30 20 IKED CCOc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1Cl 541136033 SSVGBYRGGMEXRP-MRXNPFEDSA-N 447.922 5.093 30 20 IKED COc1cc(CN2CCC(CC#N)CC2)cc(Br)c1OCc1ccccc1 543781540 JPELFLWTLGKWHD-UHFFFAOYSA-N 429.358 5.162 30 20 IKED O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CCSC1 544012671 HSGGOKDCPCEHJS-WRWORJQWSA-N 425.316 5.197 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](c2ccsc2)C1 549685687 RULQMNVNNRFACT-DENIHFKCSA-N 438.597 5.250 30 20 IKED CCN(C(=O)c1ccc(F)c(C#N)c1)[C@@H](c1ccc(Br)cc1)c1cccnc1 551206392 CEWGUSKEEJNTTA-NRFANRHFSA-N 438.300 5.107 30 20 IKED COc1cc(CN[C@@H](CCO)c2ccc(Cl)cc2)ccc1OCc1cccc(C#N)c1 558143305 OBDFUMHKUHARBV-QHCPKHFHSA-N 436.939 5.013 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3CCC(F)(c4cccc(Cl)c4)CC3)CC2)c(F)c1 560686092 JQPDSCHKGZPPOT-UHFFFAOYSA-N 443.925 5.055 30 20 IKED Fc1cc(C(F)(F)F)c(F)cc1CN1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 561899908 CVXAVQSUWUWUQD-CYBMUJFWSA-N 429.311 5.199 30 20 IKED C=C(C)Cn1c(CCCOc2ccc(Cl)cc2Cl)nnc1N1CCC(CC#N)CC1 573818712 BIJANKRHOXWYBC-UHFFFAOYSA-N 448.398 5.303 30 20 IKED CC[C@@H](c1ccccc1OC)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 574908811 IGYMCYBEFLCDEV-VWLOTQADSA-N 443.547 5.955 30 20 IKED COc1ccccc1OCc1ccc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)o1 583412411 CXGOESOQPCINMH-UHFFFAOYSA-N 441.443 5.178 30 20 IKED COCCC[C@@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)c1ccc(Cl)cc1 586855183 MNLMCBHZAPLUHF-HNNXBMFYSA-N 425.743 5.459 30 20 IKED Cc1ccc(-c2nc(CC(=O)N(Cc3ccc(C#N)cc3)c3ccc(F)cc3C)cs2)o1 603569280 FOZXZVKGOHBNKN-UHFFFAOYSA-N 445.519 5.807 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nc2ccc(C(F)(F)F)cc2[nH]1 603938037 IASIEDXWSCRHNX-CYBMUJFWSA-N 448.470 5.018 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(C)c(OCC(F)F)c2)cc1C 608855380 DGZSVGPLHFSUQN-UHFFFAOYSA-N 438.478 5.285 30 20 IKED Cc1cc(-c2cc(C(=O)N[C@H](C#N)c3ccc(Cl)cc3)c3cnn(C(C)C)c3n2)c(C)o1 609286992 IVXVRIDCMWYLDS-JOCHJYFZSA-N 447.926 5.537 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 609378500 PYIHAJPDYCTGRP-INIZCTEOSA-N 426.847 5.307 30 20 IKED CCn1c([C@H]2CCCN2C(=O)Nc2ccccc2SC[C@@H](C)C#N)nc2ccccc21 609398395 YDPADCUBDFQJQV-LAUBAEHRSA-N 433.581 5.677 30 20 IKED CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 609725195 MUMUKTLIAZUVQT-HNNXBMFYSA-N 449.894 5.230 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(c3ccccc3F)CC2)cc1 609928864 FDDWLURRGZSEDE-UHFFFAOYSA-N 445.494 5.910 30 20 IKED C[C@H](CC(=O)N[C@@H](C#N)c1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 609986257 DUEPEOIRNNDJDD-PXAZEXFGSA-N 425.248 5.343 30 20 IKED N#Cc1ccc(SCC(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)c(F)c1 610165716 HTJWLWYSRLLMQH-IBGZPJMESA-N 445.475 5.507 30 20 IKED Cc1cccc(Oc2ccc(Cl)cc2NC(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)c1 610385033 KVWBCMRCOZBINF-INIZCTEOSA-N 433.895 5.128 30 20 IKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)c12 613392457 OSBUHCUJOAXHCZ-HXUWFJFHSA-N 449.539 5.557 30 20 IKED Cc1cccc(-n2ncc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2C)c1 613405338 YYPBOBIETLRULT-INIZCTEOSA-N 440.450 5.608 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 670196937 MVSNTTZZGJKYSE-KBPBESRZSA-N 438.803 5.352 30 20 IKED O=C(c1ncoc1-c1cccc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 680035379 HBFDXRUTXJHKNS-GHMZBOCLSA-N 446.269 5.173 30 20 IKED C[C@H](NC(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1nc(C(F)(F)F)cs1 683786864 VUONCXWJDSCKHF-ZETCQYMHSA-N 433.324 5.699 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(CC)Cc1c[nH]c2ccccc12 685542625 SNMXTQFMXDCVQE-UPVQGACJSA-N 427.552 5.217 30 20 IKED C#Cc1cccc(NC(=S)N[C@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)c1 726483865 YLUGUVMHKJOKKN-HSZRJFAPSA-N 430.573 5.264 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2ccc(COc3cccc(Br)c3)o2)cc1 726940268 PJJUGKYPJAZLAT-UHFFFAOYSA-N 439.309 5.490 30 20 IKED C=CCOc1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1Cl 727467200 PYPRSNOPHHDGHD-UHFFFAOYSA-N 440.893 5.050 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)OCc2coc(-c3ccc(F)c(F)c3)n2)o1 728623823 PRQZJCXJYZWQRG-UHFFFAOYSA-N 436.370 5.020 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)/C=C\c3cc(C(F)(F)F)ccc3Cl)CC2)cc1 728829722 AMTAZESCGGLUEU-BAQGIRSFSA-N 434.845 5.314 30 20 IKED N#C[C@H](C(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1)c1nc2cc(F)ccc2s1 730417574 OSXZRLCIKMDKSG-XMSQKQJNSA-N 436.508 6.284 30 20 IKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(C2CCC2)C1=O)Nc1ccc(F)cc1F 730460926 ISDZNMIZLYFBMT-GOSISDBHSA-N 449.910 5.131 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)C1(c2ccccc2F)CCCC1 731061488 CHSZOLZCAOSXAG-QGZVFWFLSA-N 440.540 5.071 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@@H]1c1csc(-c2cccs2)n1 731427875 OLFBHPJXQHHEDP-QGZVFWFLSA-N 431.995 5.044 30 20 IKED C#Cc1cccc(N2C(=O)/C(=C\c3csc(-c4cccc([N+](=O)[O-])c4)n3)SC2=S)c1 733370172 XSKAUNYDTXGICV-WOJGMQOQSA-N 449.538 5.105 30 20 IKED COc1ccc(CCC(C)=NOCc2nc(-c3ccc(Br)s3)no2)cc1 733997795 FIENAUQTTGWWRR-UHFFFAOYSA-N 436.331 5.095 30 20 IKED N#CCOc1ccc(Cl)cc1CSc1nnc(-c2cccc(Br)c2)o1 735230747 PUYYUHQTBJHGPX-UHFFFAOYSA-N 436.718 5.347 30 20 IKED N#CCOc1ccc(Cl)cc1CSCc1nc(-c2ccc(C(F)(F)F)cc2)no1 735318268 IYYZJWKFETYKKM-UHFFFAOYSA-N 439.846 5.745 30 20 IKED Clc1nc(N2CCCC2)sc1C=NNc1ncnc2sc(-c3ccccc3)cc12 735970429 FPKBXXNHZBYSRB-UHFFFAOYSA-N 440.985 5.514 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3cccnc3SCC3CCCCC3)o2)cc1 745042143 QGJKHZOVYFQYTH-UHFFFAOYSA-N 434.521 5.033 30 20 IKED COCCCCC(=O)N1C[C@@H](c2ccc([N+](=O)[O-])cc2)SC1=Nc1ccccc1C 746766825 WFGJRGQDOAPMBM-FQEVSTJZSA-N 427.526 5.024 30 20 IKED CCOc1c(OC)cc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)cc1OC 750896472 PZPXWGOCXVBEDM-XMHGGMMESA-N 445.540 6.136 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)cc1C#N 752308539 UGKZJSSWKQIHTF-NRFANRHFSA-N 449.898 5.086 30 20 IKED CC(C)Oc1ccc(-c2cccc([C@@H](C)N(C)C(=S)Nc3ccccc3C#N)c2)cc1 759671584 FATZNSDLQPOQML-LJQANCHMSA-N 429.589 6.402 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)c3ccccc3OCc3ccccc3Cl)CCO2)c1 762310621 RNWSHIDUGUEMQO-XMMPIXPASA-N 432.907 5.004 30 20 IKED Cc1nc2ccc(C(=O)[C@@H](C#N)C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)cc2s1 764088003 RXIRFAUYXDYIRP-MEBBXXQBSA-N 432.332 5.111 30 20 IKED C[C@@H](OC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)N[C@H](C)c1cc2ccccc2o1 769544672 RUQURBINRIHHRL-QZTJIDSGSA-N 443.503 5.114 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(N2C(=O)N[C@H](C[C@@H]3CCCc4ccccc43)C2=O)cc1 771906489 RNFLTVOESWMBFC-HDYLNDSGSA-N 435.527 5.277 30 20 IKED Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 773630689 YZBAOYVGJWGKGY-SANMLTNESA-N 435.483 5.388 30 20 IKED CCCOc1ccccc1[C@@H](CC(C)C)NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N 775544969 LBBUBJXRPWMNDB-FYYLOGMGSA-N 442.563 5.389 30 20 IKED C[C@H](NC(=O)N[C@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21)c1cccc(C#N)c1 777569391 FUSCSKAQVMSDNW-AOMKIAJQSA-N 434.540 5.343 30 20 IKED CC(C)(C)OC(=O)N1CCCc2c(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cccc21 778942152 XZKOUBSWQOXQNG-VWNXMTODSA-N 445.563 5.286 30 20 IKED CCOc1cc(Br)c(NC(=O)Nc2ccccc2O[C@H](C)C#N)cc1OCC 780522105 YRYLYCYAFKKJEM-CYBMUJFWSA-N 448.317 5.181 30 20 IKED COc1ccccc1[C@H](NC(=O)Nc1ccccc1O[C@H](C)C#N)c1ccccc1Cl 780676943 BEMDJVWKLQSVAL-WAIKUNEKSA-N 435.911 5.551 30 20 IKED CCCC[C@H](ON=C(C)C)C(=O)Nc1cccc(C(=O)N2CCc3sccc3C2)c1C 781069588 ZJRAGEDFYLBKQQ-NRFANRHFSA-N 441.597 5.165 30 20 IKED COc1cc(/C=C(\C(=O)Nc2cccc(OCCCC#N)c2)c2ccccc2)ccc1O 781080043 SSXXJYHASYVHRM-KQWNVCNZSA-N 428.488 5.263 30 20 IKED CC(C)c1ccc(C2(O)CCC(Nc3ccc4c(c3)CCC(=O)N4CCCC#N)CC2)cc1 786959900 SEOKIHQDSZFQMB-UHFFFAOYSA-N 445.607 5.635 30 20 IKED CC[C@H](NC(=O)[C@@H](C#N)C(=O)c1sc(-c2ccccc2)nc1C(F)F)c1ccccc1 787034781 BLGXHIDOLXQJHA-IRXDYDNUSA-N 439.487 5.338 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 787574065 QZGLRHGIWSTJNO-SFHVURJKSA-N 438.572 5.238 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(NS(=O)(=O)C(F)(F)F)c(C)c1 789891473 XIYYHURPLJIUEC-UHFFFAOYSA-N 440.487 5.361 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccccc1)C[C@H](O)c1cnn(CC)c1 792402444 XJAJYHYHHOGBMD-VWLOTQADSA-N 446.595 5.523 30 20 IKED N#CCCC[C@H](NCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)c1ccccc1 814659487 OKHBJLDZGOIRSQ-HNNXBMFYSA-N 445.177 6.263 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)O[C@H](c3nc4ccccc4o3)C(F)(F)F)cc2)nc1 816063588 OBGCHYDPUHUXDJ-LJQANCHMSA-N 439.349 5.347 30 20 IKED O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)OC(C(F)(F)F)C(F)(F)F 816219404 GTQRGZMSYFJUOP-UHFFFAOYSA-N 425.272 5.284 30 20 IKED COc1cc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc(OC)c1OC 818194122 BXONKHYOJHXBCQ-NTMALXAHSA-N 425.462 5.245 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 915085549 CHGYVJIATHXILC-LJQANCHMSA-N 425.713 6.010 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1 915351601 AEFNASYPBCLANI-VWLOTQADSA-N 434.543 6.235 30 20 IKED CN1CCCN(c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)CC1 916455674 KVHSDXYDQMIMGQ-UHFFFAOYSA-N 442.588 5.104 30 20 IKED N#C[C@@H](C(=O)CSc1ccc2c(c1)CCC2)C(=O)Nc1ccccc1Oc1ccccc1 916912496 ZQIJYYREYHEPNE-QFIPXVFZSA-N 442.540 5.407 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(COc3ccc(F)cc3)o2)cc1 916914195 XBDCEEXIHCFDKQ-QFIPXVFZSA-N 434.467 5.301 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCSc3nc4ccccc4s3)n2)cc1 916974753 PHCSJLGBSRNAPZ-MRXNPFEDSA-N 435.599 6.087 30 20 IKED N#C[C@H](C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1nc2cc(Cl)ccc2s1 917043769 NBQUMKPDGNPCMX-MBNRZODZSA-N 449.963 5.078 30 20 IKED CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)Nc1cccc(OCC#N)c1 919905297 ISPASLOFOPFFLX-UHFFFAOYSA-N 443.425 5.922 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc2ccccc2n1Cc1ccccc1F 920102386 SGGWKXLYLMOTSA-NRFANRHFSA-N 449.485 5.824 30 20 IKED CCOc1ccc(-c2nc(CC(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cs2)cc1 920105669 KKDJMJTXVPBZGM-HXUWFJFHSA-N 443.528 5.133 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CC(c3ccccc3)c3ccccc3)n2)cc1 920139545 UOLJGENQYYXMPG-DEOSSOPVSA-N 438.552 6.217 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(OC(F)(F)F)cc3)n2)cc1 920144046 WUCVSDXVMGBGOY-KRWDZBQOSA-N 432.423 5.136 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(F)c(Br)c3)n2)cc1 920144431 QKGRCEXDHPXKAI-OAHLLOKOSA-N 445.313 5.139 30 20 IKED COc1cc(C=NOCc2nnc(-c3ccc(Cl)cc3Cl)o2)ccc1OC(C)C 920399124 KOZYKXRGQXEEDU-UHFFFAOYSA-N 436.295 5.390 30 20 IKED O=C1/C(=C/c2cn3cc(Cl)ccc3n2)CSC/C1=C/c1cn2cc(Cl)ccc2n1 920756365 YVFKRKZLRPVLQO-FUJGBLOQSA-N 441.343 5.072 30 20 IKED Cc1cccc(CN(Cc2cc(Cl)ccc2OCC#N)c2ccc3nc(O)[nH]c3c2)c1 1559615135 QUIXLTWRVKXYSE-UHFFFAOYSA-N 432.911 5.340 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(C)cccc2C)[C@@H]1c1cccnc1 1811405208 ZJJHYILNZHMPOH-VWNXMTODSA-N 433.596 5.010 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3oc4ccccc4c3C)sc2C1 1818212949 UQQCEVWNHPIIJP-SJORKVTESA-N 449.576 5.192 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3ccoc3c2)[nH]n1 1819555780 AZRPPRWVPIPDAN-HXUWFJFHSA-N 434.540 5.454 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)cc(Cl)c2)n[nH]1 1823205800 CBZQXWDEVNGXSR-FQEVSTJZSA-N 444.938 5.277 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc(F)ccc4s3)CC2)C1 1823700697 VZJVACLSNNYZFH-OAQYLSRUSA-N 440.584 5.240 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)C(C)(F)F)CC1 1824632533 RUBMQYXRRCYNEH-LJQANCHMSA-N 426.592 5.280 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2scnc2C2CC2)CC1 1825646041 ZTAOBHPUGIGZPB-HXUWFJFHSA-N 443.657 5.246 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccsc2)CC1 1828822107 WXQTWYJQMSULRQ-XCRVJHMQSA-N 426.626 5.149 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccccc3n2C)CC1 1829066461 FNRMZXNUKVTZED-DEOSSOPVSA-N 449.639 5.404 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1831371652 XZVPILYSWJTVAP-SBUREZEXSA-N 442.003 5.267 30 20 IKED COc1cc(C#N)ccc1OCc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 18260237 YJHHHSXZAGHPGQ-UHFFFAOYSA-N 447.438 5.306 30 20 IKED Cc1cc(N(CCC#N)C(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)ccc1Cl 29240047 WOEPCZUPAZBEBX-UHFFFAOYSA-N 438.984 5.310 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1Sc1ccc(Br)cn1 58130499 QGUVRKMLYQWDCY-UHFFFAOYSA-N 438.350 5.139 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 61261273 CLYSBMVZLNQQJQ-UHFFFAOYSA-N 445.910 5.235 30 20 IKED C=CCn1c(SCc2csc(Cc3ccc(Cl)cc3)n2)nnc1-c1ccoc1C 71891640 HZXIMZCXYRJFLF-UHFFFAOYSA-N 442.997 6.026 30 20 IKED C=CCn1c(SCc2csc(Cc3ccc(Cl)cc3)n2)nnc1-c1ccncc1 97254320 WVXBRBZJCDXTHE-UHFFFAOYSA-N 439.997 5.519 30 20 IKED CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)[C@H](C)Oc2ccc(C#N)cc2)c1 105518473 XXPJHWHCRWGILY-PMACEKPBSA-N 441.531 5.074 30 20 IKED CN1CCC[C@H](CNCc2cccc(OCCCC#N)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 237126913 IYLFGIUDBBURLJ-QPPBQGQZSA-N 445.529 5.561 30 20 IKED N#Cc1cc(NCc2cccc(NC(=O)c3cccc(F)c3)c2)nc2ccc([N+](=O)[O-])cc12 301346269 HJWHMTMJBPKGAO-UHFFFAOYSA-N 441.422 5.018 30 20 IKED C=CCOc1cccc(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)c1 303069666 ZSPIBIYGIMJQBP-AHKZPQOWSA-N 440.543 5.370 30 20 IKED CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 303709284 POLIKZGAOMEWBB-HKBQPEDESA-N 432.545 5.650 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C2(c3cncc(Br)c3)CC2)cc1 409507671 OWIKFEPWPGECDQ-UHFFFAOYSA-N 434.293 5.178 30 20 IKED C=CCCc1ccccc1NC(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1 410355780 VHNJJRFHMVNZQU-UHFFFAOYSA-N 436.621 5.941 30 20 IKED CCCOc1cc(O)ccc1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 429469968 RROWEXODGCFZHX-UHFFFAOYSA-N 431.492 5.470 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1 432571365 HDWAVKIEENUVGS-HHHXNRCGSA-N 437.499 5.319 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](Sc2cccc(Cl)c2)C1 433127846 UWXWQFWVNBLFMY-QAPCUYQASA-N 432.014 5.990 30 20 IKED C=CCN(C(=O)c1ccc(-c2nc(C3CC3)no2)cc1)c1nc(-c2ccccc2)cs1 433519936 NEYROZHOEBXYNG-UHFFFAOYSA-N 428.517 5.570 30 20 IKED C[C@H](c1c(F)cccc1F)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438664881 OAKSEYZVKNOQCN-CQSZACIVSA-N 425.410 5.993 30 20 IKED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 438822940 BNEJSUSHEUYAIW-UHFFFAOYSA-N 439.968 5.552 30 20 IKED CCCc1c(NC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cnn1-c1cccc(C#N)c1 439663455 FPZTZXOEJXIPPD-OAQYLSRUSA-N 431.515 5.075 30 20 IKED CCCc1c(NC(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)cnn1-c1cccc(C#N)c1 439696583 QAMHYIPUZFHQEQ-INIZCTEOSA-N 447.543 5.010 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)N[C@H](CCC#N)c2ccccc2)nc1-c1ccccc1 440244959 PLRZNWWLLQUNBS-PKTZIBPZSA-N 442.563 6.357 30 20 IKED C=CCC[C@H](NC(=O)N[C@@H](CC)c1nnc2n1CCCCC2)c1ccc(C(F)(F)F)cc1 442250429 NGGHBBDOZMLXSG-OALUTQOASA-N 449.521 5.481 30 20 IKED Cc1cc(C)c(-c2csc(NC(=O)Cc3noc(-c4cccc(CC#N)c4)n3)n2)cc1C 445419051 PVCPQXSKIQTJEV-UHFFFAOYSA-N 443.532 5.033 30 20 IKED N#C[C@H](NC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1cccc(Br)c1 446021630 QRCCIBAWKNXMRM-INIZCTEOSA-N 441.222 5.020 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)c1cc(O)nc2cc(F)ccc12 460173643 RRNIEJRQFAUMFS-UHFFFAOYSA-N 431.854 5.452 30 20 IKED Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)Cc1ccc(C#N)cc1 460333981 XIIZXIUBBIPODG-UHFFFAOYSA-N 426.495 5.785 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2coc(-c3ccccc3)n2)cc1Cl 466070234 RRKJYTCBOGZKQG-JOCHJYFZSA-N 442.906 5.972 30 20 IKED N#CCCCN1C(=O)CCc2cc(NCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)ccc21 469229035 XBYZIQJIPLMKRZ-UHFFFAOYSA-N 430.464 5.050 30 20 IKED C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 470553046 HRPZUQVTGHYBMK-HXOBKFHXSA-N 434.515 5.024 30 20 IKED Cc1cc(Br)c(F)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 471546872 KRQBXYVLAGJWDG-UHFFFAOYSA-N 429.245 5.193 30 20 IKED N#Cc1ccc(-c2nnc(CNc3ccccc3Oc3ncc(Cl)cc3Cl)o2)cc1 471622951 VSZOBHIEHRBHNT-UHFFFAOYSA-N 438.274 5.714 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ncoc2-c2ccccc2)cc1Cl 478208788 MRPZZJDBETWBFL-NRFANRHFSA-N 442.906 5.972 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)c1C#N 478765197 JQXYGPOMJBGGLB-UHFFFAOYSA-N 445.932 5.116 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cccc(Oc3cccnn3)c2)c1 479795136 GEJBNYLRAJVLRQ-UHFFFAOYSA-N 442.862 5.839 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 480593163 BPEBIMSJHHYJKZ-SFHVURJKSA-N 437.613 5.745 30 20 IKED Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 480726771 IXXHLVKFDJQGLH-UHFFFAOYSA-N 438.274 5.267 30 20 IKED CC[C@H](CC#N)NC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482350836 VYPFOIQLNONXJX-NEPJUHHUSA-N 435.290 5.319 30 20 IKED C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 483050174 PDFIHYXFROTUAD-IBGZPJMESA-N 429.520 5.132 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1 483364176 BTZIDDGKIWECJW-HXUWFJFHSA-N 431.923 5.643 30 20 IKED Cc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1NC(=O)c1ccncc1 483555834 MUWMPHWVXOZUAV-UHFFFAOYSA-N 448.482 5.559 30 20 IKED Cc1ccc(NC(=O)[C@H](C)Sc2nc(C(F)(F)F)ccc2C#N)c(Br)c1 488758018 AWLMKWVPGVLFHX-JTQLQIEISA-N 444.276 5.162 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1C 488906881 GQVHPOLBLWKOJE-UHFFFAOYSA-N 430.986 5.144 30 20 IKED C=CCC(C)(C)CNC(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 490036386 YJIBNLQTTYEKBI-HNNXBMFYSA-N 441.622 5.404 30 20 IKED CCCOc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1Cl 498733352 KIIYTHPPOFOJLJ-UHFFFAOYSA-N 436.943 5.775 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 499891037 BHDKMLWSQHWTQZ-KXBFYZLASA-N 447.507 5.145 30 20 IKED C=CCc1cc(CN[C@H]2c3cc(Br)ccc3SC[C@@H]2C)cc(OC)c1O 500913393 CBQLFSLWVKDIQV-RNODOKPDSA-N 434.399 5.465 30 20 IKED Cc1cc(C(=O)Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)c(C)n1CCC1=CCCCC1 502855256 HVWYDVNBYCUEQO-UHFFFAOYSA-N 447.966 5.718 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnc(-c2ccc(F)c(F)c2)s1 504088674 CPYPSIGQKZEARS-UHFFFAOYSA-N 448.454 5.708 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(-c4ccc(F)c(F)c4)s3)n2)cc1 505716511 IZRRXNCWFCNWNQ-OAHLLOKOSA-N 448.479 5.574 30 20 IKED Cc1ccc(Cl)cc1NC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 505775385 AWNSHWPOLZGEFR-CQSZACIVSA-N 436.751 6.325 30 20 IKED CN(C)[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 510007564 YLLQWJSZRNUDOQ-VWNXMTODSA-N 432.955 5.420 30 20 IKED COc1cc(NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc(OC)c1C(C)C 515535448 USZQXKURMJYUID-UHFFFAOYSA-N 439.903 5.182 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@H]3CCCc4cn(C5CCCC5)nc43)cc2)ccn1 517442581 VOKQMUGOIOULPH-QHCPKHFHSA-N 442.523 5.256 30 20 IKED Cc1cc(SC2CCCCC2)ccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 517885428 VYAZSAIGDYGULP-UHFFFAOYSA-N 449.620 6.367 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(OCc2ccccn2)cc1 518752856 ALJLKITYTPEYAS-SFHVURJKSA-N 432.549 5.377 30 20 IKED Cc1ccc(CN2CC[C@H](CN(C)C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)C2)s1 519723643 CXLXFPDSTQDIME-OAQYLSRUSA-N 445.588 5.315 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H]2CCO[C@@H]2c2ccccc2)cc1 521322889 PKJOTUYTZJJQBO-WIOPSUGQSA-N 428.557 5.358 30 20 IKED Cc1csc(NC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1C#N 521680415 STLPZFDFRKFVIB-UHFFFAOYSA-N 433.577 5.013 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1CN(C)C1CCCCC1 521817683 UJBXTWKDHTYJAX-UHFFFAOYSA-N 432.612 6.013 30 20 IKED C[C@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nc2ccccc2n1C(F)F 524490225 AFTBJAPMLZDOLU-INIZCTEOSA-N 446.457 5.373 30 20 IKED COc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c(C)c1 525659991 ZCESBEBKAKRMID-UHFFFAOYSA-N 431.439 5.194 30 20 IKED COc1ccc(Br)cc1CN(C)C(=O)Nc1ccccc1S[C@@H](C)CC#N 532956862 XTFGZFVLNZYEJO-AWEZNQCLSA-N 448.386 5.516 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)cc1 536815079 HGVOXGQTAPLGAA-OZXSUGGESA-N 441.531 5.231 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2cc(Br)cc(Br)c2)n1 538039485 ZZJDRRQRUKLMCM-GFCCVEGCSA-N 428.149 5.282 30 20 IKED C[C@@H](NCc1ccc(C#N)cc1OC(F)F)c1ccc(NC(=O)c2ccc(F)cc2)cc1 539278466 PTGCNYOYMCJNKX-OAHLLOKOSA-N 439.437 5.402 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)s2)cc1 541491849 XYZZBHFXRUUKRM-GOSISDBHSA-N 430.577 5.734 30 20 IKED C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2ccsc2)C1 549218660 CHFXDYPFZFQFAM-IBGZPJMESA-N 447.029 5.439 30 20 IKED CC(C)(CCC#N)CNC(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 554407249 BNKNVBADPITYLG-UHFFFAOYSA-N 444.413 5.589 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccnc(N3CCc4ccccc4C3)c2)c2ccccc21 557482580 MYGFFFPZKLIFJD-UHFFFAOYSA-N 435.531 5.155 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(C(F)(F)F)cc1 558571231 NKZUBPCNWFMRQQ-HXUWFJFHSA-N 442.485 5.375 30 20 IKED C=CCn1c(CCc2ccco2)nnc1N1CCC[C@@H]1c1ccc(Br)s1 562022321 KIRJSWZILNIJEI-OAHLLOKOSA-N 433.375 5.008 30 20 IKED N#CCCC[C@H](NC(=O)C(=O)Nc1ccccc1Oc1cccc(F)c1)c1ccccc1 563555773 QXEVJUPAGLVFAZ-NRFANRHFSA-N 431.467 5.108 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](c1ncccc1C)C(C)C 573160747 WBWDXDHWDLQBJS-LJQANCHMSA-N 434.353 5.387 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC(OC3CCCCC3)CC2)c1 574600269 KJNXOAXSMBLDLU-UHFFFAOYSA-N 438.955 5.958 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)CCc3ncc(-c4ccccc4F)o3)cc2)ccn1 584560802 CZBWYVLAEWRFSJ-UHFFFAOYSA-N 428.423 5.111 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](CO)c1ccc(Cl)cc1 588238637 HHROIAZPKRWGRO-IBGZPJMESA-N 435.911 5.210 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CCC(=O)c3ccc4c(c3)OCCCO4)cc2)c1 596103621 GFXRJNAJLSKHBN-UHFFFAOYSA-N 442.471 5.113 30 20 IKED CCOC(=O)c1sc(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)c(C#N)c1C 597414820 JGIJLIVXKBNYLS-UHFFFAOYSA-N 447.727 5.083 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CSc1ccc2c(c1)OCCO2 603532695 LAYLOIVPDBDUGU-UHFFFAOYSA-N 448.519 5.103 30 20 IKED O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)NC(c1cccs1)c1cccs1 606729056 WCSRDCALSCQKPB-UHFFFAOYSA-N 442.565 5.054 30 20 IKED N#C[C@H](NC(=O)c1cc(-c2ccccc2F)on1)c1ccc(OCc2ccccc2)cc1 609028238 PYAFBMVCTCIEGA-QHCPKHFHSA-N 427.435 5.054 30 20 IKED Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(C)n1-c1nccs1 609110140 GSYROFFCQXQJFP-UHFFFAOYSA-N 446.507 5.393 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)NCC1(c2ccccc2Cl)CCOCC1 609263724 BTRHGAYXZQHSSI-UHFFFAOYSA-N 430.935 5.357 30 20 IKED COc1ccc(C[C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC 609318029 GPESAFZBGDBIER-QGZVFWFLSA-N 431.492 5.120 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1OC 609399334 ODOZIVGVAIHEPE-APWZRJJASA-N 425.554 5.325 30 20 IKED CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 609826640 NEAIOLGMUYSTKM-ZJSXRUAMSA-N 435.568 5.294 30 20 IKED CC(C)n1c([C@@H](C)NC(=O)c2cccc(OCc3ccccc3C#N)c2)nc2ccccc21 609837457 SFNCCTGPDXCPDU-LJQANCHMSA-N 438.531 5.559 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1cccc(O)c1)CC1CC1 609844621 GANKSQFFDRPNQN-UHFFFAOYSA-N 441.531 5.595 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccccc1I 610035979 BKPGFVVQVOURLL-UHFFFAOYSA-N 447.194 5.127 30 20 IKED CSc1ccc(O[C@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 610106137 PIRFWRMURSKXQB-GOSISDBHSA-N 432.545 5.574 30 20 IKED C[C@@]1(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCCN(C(=O)c2ccccc2)C1 610226138 MRZWGZDWPFKRAF-HHHXNRCGSA-N 439.515 5.232 30 20 IKED COc1ccc(C[C@@H]2CCCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)C2)cc1 610321067 FLZWFMIRUFBSNS-NRFANRHFSA-N 442.519 5.241 30 20 IKED CC(C)c1nc([C@H]2CCCCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)no1 611530545 PBYZCXXSJLLWCB-HXUWFJFHSA-N 446.511 5.401 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 612646661 XUJXTXOUSRIXMP-QGZVFWFLSA-N 440.263 5.156 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(COc4ccc(F)cc4)o3)n2)cc1 612894728 MLRLSKJYFOYELC-FQEVSTJZSA-N 432.476 5.920 30 20 IKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)cc12 613291267 XXABQIOIRHECEJ-QGZVFWFLSA-N 442.931 6.087 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618300262 ABRXCWCJOOASMK-RYUDHWBXSA-N 440.384 5.461 30 20 IKED CCCOc1c(Br)cc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1OCC 618743057 VHXYYTRCDKPHMJ-HXUWFJFHSA-N 429.358 5.285 30 20 IKED C[C@H](NC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C)c1cccc(C#N)c1 619800788 WEIAYJBSHLCXOL-ICJFFHGUSA-N 436.987 5.186 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)NCc2ccc(C#N)c(Cl)c2)nc1-c1ccccc1 619828186 OCHRRHWWINXUOO-OAQYLSRUSA-N 448.954 6.037 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Oc4cccnc4)cc3)n2)cc1 620304194 HGCUFUXVOUJASZ-NRFANRHFSA-N 427.485 5.496 30 20 IKED C[C@H]1CCN(c2cc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)ccn2)C1 681352000 HBHNHSJQFPLORG-SWLSCSKDSA-N 430.455 5.046 30 20 IKED O=C(Nc1cc(F)c(F)cc1N1CCCCC1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 685689433 WRJXWYAWKTVVJW-GHMZBOCLSA-N 445.354 5.160 30 20 IKED CCCOc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(NC(C)=O)c2)cc1OCC 726430397 YOWTUVOELLNGAY-VQHVLOKHSA-N 431.916 5.391 30 20 IKED N#Cc1ccc(NC(=S)Nc2ccc(C(=O)NCc3ccccc3F)cc2)cc1Cl 726469143 NKKTWATXHVGZIT-UHFFFAOYSA-N 438.915 5.090 30 20 IKED N#C[C@H](NC(=O)/C=C\c1ccc(Br)o1)c1ccc(OCc2ccccc2)cc1 729370921 ZZIBRJBWUGKPIH-ZQGDAAQZSA-N 437.293 5.015 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1sccc1SC(F)F 730474884 SGXYVONWJIVEAT-RNFRBKRXSA-N 427.382 5.702 30 20 IKED CN(CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)C(=O)OC(C)(C)C 730921297 XOTIHTMEPKBUPT-CYBMUJFWSA-N 440.352 5.160 30 20 IKED Cc1c(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)oc2ccc(Cl)cc12 731064484 RFVCJHJWNPRAJV-CYBMUJFWSA-N 442.924 5.442 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2c(Cl)cccc2s1 731066288 VFTXIKYTPIJIGO-CYBMUJFWSA-N 444.965 5.744 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 731114168 IETKDQXBJAYWBD-SJORKVTESA-N 446.617 5.095 30 20 IKED CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1C 732377474 NSUDCBLQSAFVHA-GOSISDBHSA-N 444.487 5.121 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1cccc(OC(F)(F)F)c1 733080878 FBGXKOZYNKYXBS-UHFFFAOYSA-N 441.335 5.292 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(C)C)c1 733801534 RPEQKOKWYRGQPN-CTNGQTDRSA-N 433.474 5.583 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccccc2)Cc2ccccc2C)c1 733852506 XWIUXMBWRIKQRE-VWLOTQADSA-N 427.548 5.588 30 20 IKED C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1cccc(COc2cccc(C#N)c2)c1 734323789 WXKGTYRCRVVHHJ-XMERXJNXSA-N 426.516 5.128 30 20 IKED C=CC[C@H](NC(=O)N(CCC)Cc1nnc(-c2ccccc2Cl)o1)c1ccncc1 734680827 VRUMCJFCYUNZCI-IBGZPJMESA-N 425.920 5.024 30 20 IKED CC[C@H](Cc1cccc(Br)c1)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 735400876 YRYPADTXQRTYJQ-CJNGLKHVSA-N 431.330 5.643 30 20 IKED C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 739160771 WCKDPULTNOANTO-KUHUBIRLSA-N 439.462 5.756 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)c(Cl)c1 741113917 YDRRGGNOLAOZJF-OAHLLOKOSA-N 432.879 5.365 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 744030270 BZHZQDPDMNWGPP-QGZVFWFLSA-N 438.405 5.131 30 20 IKED CCCCCCCCc1nnc(NC(=O)N2CCC(C(=O)NC3CCCCC3)CC2)s1 744747132 XDELVGBFVRJIRA-UHFFFAOYSA-N 449.665 5.134 30 20 IKED Cc1ccc(-c2ocnc2C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 745357199 PRHYBWRNOJTMCD-OAHLLOKOSA-N 449.532 5.036 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@H](C#N)c2nc3c(C)ccnc3[nH]2)cc1 750725145 QYHPCFABXWXZNF-NRFANRHFSA-N 449.514 5.232 30 20 IKED COc1cc(CC2CN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)C2)cc(OC)c1 752634761 BQVKKDRGSRIFPJ-SANMLTNESA-N 441.531 5.066 30 20 IKED C/C(=C\c1cccc(Cl)c1)C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 758890859 SQLUNTBTMJLOJT-VGVSSDJJSA-N 428.941 5.177 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1 760083698 CKTRBYLYOHPMJK-ACJLOTCBSA-N 438.380 5.490 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Br)cc2C(C)C)c1 760805410 COIFNTDUGRGXHH-KRWDZBQOSA-N 430.346 5.575 30 20 IKED Cc1nc(/C=C\c2ccc3c(c2)ncn3C)sc1C(=O)/C=C/c1ccc2c(c1)ncn2C 761198573 IGLATZOEJOLRKN-QZTBCQRESA-N 439.544 5.291 30 20 IKED C=CCn1c(-c2cccs2)nn(CN2CCC(OCc3ccc(F)cc3)CC2)c1=S 768478319 QKFGDOSWJPENHZ-UHFFFAOYSA-N 444.601 5.106 30 20 IKED C=CC[C@@H](C(=O)Nc1ccc(N2CCC(OC)CC2)c(C(F)(F)F)c1)c1ccccc1 777638049 ROHKVQAQJGUGOB-HXUWFJFHSA-N 432.486 5.619 30 20 IKED C[C@H](OC(=O)c1ccccc1Oc1ccccc1C#N)C(=O)N1CCC[C@@H]1c1cccs1 778180216 BWOAHYQVMCODRC-FXAWDEMLSA-N 446.528 5.321 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(COC(=O)c2ccc(C#N)c(Cl)c2)cs1 778538720 MPHSINZMXLOFRA-UHFFFAOYSA-N 425.897 5.018 30 20 IKED COc1ccc([C@H](NCc2ccc(O[C@H](C)C#N)cc2)c2ccc(C(F)(F)F)cc2)cc1 778646282 NXLGYOXSDJYGSL-MZNJEOGPSA-N 440.465 5.884 30 20 IKED Cc1csc([C@H](C#N)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccc3ccccc3c2)n1 779188393 AUJQVLRZBMQRHG-IZBOUPIGSA-N 443.572 5.255 30 20 IKED CC(C)n1cc2c(n1)[C@@H](NC(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)CCC2 780410901 HJEIDOUUJJYZNX-DEOSSOPVSA-N 443.551 5.308 30 20 IKED N#C[C@@H]1C(CN[C@@H](c2cccc3ccccc23)C(F)(F)F)=CC(=O)n2c1nc1ccccc12 781348615 JYELOSOMIYWGMY-XXBNENTESA-N 446.432 5.270 30 20 IKED Cc1c(C(=O)/C=C\c2cn(Cc3ccccc3)nc2-c2cccnc2)cnn1C(C)(C)C 787187109 QBXXKOXJVDFPQG-SEYXRHQNSA-N 425.536 5.149 30 20 IKED COc1cc(C(=O)/C=C\c2cn(CCC#N)nc2-c2ccncc2)ccc1SC(F)F 788356761 VULFLBNIOAQRLE-HYXAFXHYSA-N 440.475 5.078 30 20 IKED CCN1C/C(=C\c2cnc(-c3ccco3)s2)C(=O)/C(=C/c2cnc(-c3ccco3)s2)C1 789127928 PJKHGOZJMQOHSU-KAVGSWPWSA-N 449.557 5.491 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nccc2ccccc12)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 792098251 BTYMVROHYLPKSQ-WTOYTKOKSA-N 429.520 5.313 30 20 IKED N#Cc1cccc(-c2nnc(CSc3nc4cccc(Br)c4s3)o2)c1 794519760 GYJVUUNYJVTUJR-UHFFFAOYSA-N 429.324 5.273 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H]2CC(C)(C)c3ccc(Br)cc32)ccc1OC 794810424 LELHCLDTUJNGEE-PXNSSMCTSA-N 443.385 5.651 30 20 IKED C[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 795994313 XJLCGWXKFGAZLE-DZGCQCFKSA-N 438.833 5.317 30 20 IKED COC(=O)Nc1cc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cc(C(F)(F)F)c1 797567688 AKDPACUNLKRONG-CYBMUJFWSA-N 425.432 5.128 30 20 IKED O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1cc(C(F)(F)F)cnc1Cl 800354303 PEIBHMAODVRMPR-UHFFFAOYSA-N 430.707 5.476 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1cc(=O)c2ccc(F)cc2o1 808430187 MUXCFBMWMDKVSB-UHFFFAOYSA-N 449.278 5.144 30 20 IKED O=C(O[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1cc(F)c([N+](=O)[O-])cc1F 809327122 TYOKMZWHJWVFQT-CYBMUJFWSA-N 429.219 5.352 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(Br)nc2)cs1 811697057 QOJDPWHLZUCGCU-RMKNXTFCSA-N 442.338 5.190 30 20 IKED C=C(C)CN1C(=O)/C(=C/c2csc(-c3cccc(Br)c3)n2)SC1=S 814292059 LBUBAHZXQHXUFZ-AUWJEWJLSA-N 437.409 5.350 30 20 IKED C[C@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccccc1NC(=O)c1ccccc1 815928710 QBUSVXMOQGCZMG-AWEZNQCLSA-N 439.393 5.142 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1OC 883976940 LJLNPPODQYEJNP-QXFGJRORSA-N 434.561 5.289 30 20 IKED Cn1c([C@@H](C#N)C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)nc2ccccc21 915101139 PAQVHNRUQKJNJI-INIZCTEOSA-N 440.450 5.135 30 20 IKED N#C[C@H](C(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1ccccc1 916622696 HNYDALBASKXHOI-IBGZPJMESA-N 436.968 5.682 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Oc2ccc(NC(=O)C3CC3)cc2)cc1 917052213 YSEXKKTXFMNWSE-UHFFFAOYSA-N 428.513 5.418 30 20 IKED COc1cc(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OCc1ccccc1 920102787 YYTUZGMZLGJXCD-OAQYLSRUSA-N 438.483 5.269 30 20 IKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@H](C)c2ccc(C)s2)c1 920169592 GWEBDFCMMJPNSX-OXQOHEQNSA-N 441.622 5.035 30 20 IKED N#C[C@@H](C(=O)CSc1ccc2c(c1)CCC2)c1nc(-c2c(F)cccc2F)cs1 920806955 UQQCDFZXQMFZBS-INIZCTEOSA-N 426.513 5.546 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccc(O)cc4Cl)cc3)CCC2)C1 1791521417 GPPOGHSVSLEGIC-ONNFQVAWSA-N 436.939 5.159 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)c2ccc(C)cc2)[C@@H]1c1cccnc1 1810502301 GWXVFCFZMKSOHP-IEZKXTBUSA-N 447.623 5.192 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)CCCCC)[C@H]1c1cccnc1 1812694907 YDYKZQFRDHCVMV-AGILITTLSA-N 425.617 5.072 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc4occc4c3)sc2C1 1818452370 GDTVQCKABMVUHH-KRWDZBQOSA-N 437.565 5.108 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CCc3ccccc32)n[nH]1 1822523912 JCBNPVXVBAXAGJ-RBBKRZOGSA-N 434.584 5.124 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2OCC)CC1 1824143126 HXYMOAWHPRHDDA-XMMPIXPASA-N 438.612 5.087 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCC(F)(F)CC2)CC1 1824325863 BQCBWMIFNLWKNC-QFIPXVFZSA-N 436.587 5.200 30 20 IKED C=CCn1c(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)nnc1-c1ccoc1C 9756285 COOAQWCVIZOTLC-UHFFFAOYSA-N 447.442 5.394 30 20 IKED Cc1cc(C(=O)/C(=C(\S)Nc2cccc(C)c2C)[n+]2ccc(N(C)C)cc2)c(C)s1 10168247 GJDMEBVQACSGFP-UHFFFAOYSA-O 438.642 5.386 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nc2cc3ccccc3cc2c(=O)n1C 17225692 WYDUMTKGZCOKIT-UHFFFAOYSA-N 447.585 5.096 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)nnc1-c1cccc(C)c1 22093551 VSNAYGJMMFLSQO-OAHLLOKOSA-N 444.507 5.160 30 20 IKED C[C@H]1CN(Cc2csc(/N=C(\O)c3sc4cc(F)ccc4c3Cl)n2)C[C@@H](C)O1 22300645 FOHCECWTKCLICR-PHIMTYICSA-N 439.965 5.396 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cc(C)cc(C)c2)[n+]2ccc(CC)cc2)cc1 22730227 UZOSWBVPDVROJI-UHFFFAOYSA-O 433.597 5.603 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccccc2F)c1)c1nc2cc(C(F)(F)F)ccc2s1 60767714 CFVOYLFWFFCXTO-ZDUSSCGKSA-N 430.386 5.130 30 20 IKED Cc1ccc(-c2nc(C)c(/C(O)=N/c3nc(-c4ccc(Br)cc4)n[nH]3)s2)o1 63497054 SOFZSWWKVHOAFY-UHFFFAOYSA-N 444.314 5.204 30 20 IKED N#Cc1cccc(COc2cccc(N[C@H](C(=O)N3CCCCC3)c3ccccc3)c2)c1 108418296 RQCORMUFLJCXOT-SANMLTNESA-N 425.532 5.303 30 20 IKED N/C(=N/OCc1coc(-c2ccc(Cl)cc2)n1)c1ccc(Oc2ccc(F)cc2)nc1 116104399 ZLJMWZDIPLHIIP-UHFFFAOYSA-N 438.846 5.159 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cc3c(F)cc(Br)cc3[nH]2)cc1 303294764 BMDCJYRPXWUKRT-UHFFFAOYSA-N 430.277 5.029 30 20 IKED N#Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c(C(F)(F)F)c1 409873428 YPTXCVYSRZRWOO-UHFFFAOYSA-N 443.406 5.042 30 20 IKED Cc1ccc(NCc2cn(CCC#N)nc2-c2ccncc2)cc1OCC1CCCCC1 433307054 TTZFABNGAIQHOA-UHFFFAOYSA-N 429.568 5.738 30 20 IKED C[C@@H](N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1nc(C(F)(F)F)cs1 437042956 ZVNWPXWJOHRTFA-LDYMZIIASA-N 436.343 6.525 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2csc(Nc3ccccn3)n2)cc1F 437458621 GBSJNWANWGVQAS-UHFFFAOYSA-N 431.452 5.337 30 20 IKED C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 439365361 NMFDFBMUPLLKPH-HOLAQXKLSA-N 447.579 5.125 30 20 IKED N#CCC[C@@H](NC(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)c1ccccc1 439672132 JDTKHTZMLLUENL-JOCHJYFZSA-N 426.451 5.318 30 20 IKED CC1CCC(N(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@H]2CCCO2)CC1 444196917 QOWDMJGYTJHYCD-KWJLTHHISA-N 429.630 5.079 30 20 IKED N#Cc1ccc(/C=C/c2nc(CC(=O)Nc3nc(-c4ccccc4Cl)cs3)no2)cc1 445425762 FXMKSOCOYLULIS-MDZDMXLPSA-N 447.907 5.070 30 20 IKED CCOc1cc(-c2nnc(SCc3ccc(C#N)c(C)c3)o2)cc(OCC)c1OCC 447309505 OHODJFUAXMMHKC-UHFFFAOYSA-N 439.537 5.405 30 20 IKED COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CCc1ccc(C#N)cc1)CCO2 460254180 JYOKBYZSPARUHW-RUZDIDTESA-N 426.516 5.052 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c1C 460370871 RZFREVANMHWWLU-UXHICEINSA-N 425.319 5.410 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC2(CCOCC2)[C@H]1C 460573825 DCARRBNURFSCEJ-ZWKOTPCHSA-N 430.980 5.043 30 20 IKED C=CCn1c(SCc2csc(COC)n2)nc2cc(-c3ccccc3)sc2c1=O 463251105 QZBGEIDDITTXFO-UHFFFAOYSA-N 441.603 5.206 30 20 IKED Cc1cncc(N(Cc2ccccc2Br)C(=O)[C@@H](C)c2cccc(C#N)c2)c1 464496108 KXSGSOJPLSZAQV-KRWDZBQOSA-N 434.337 5.361 30 20 IKED Cn1c(C(F)F)nc2cc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)ccc21 467200849 KCIAZHZEGWQSLN-NSHDSACASA-N 444.413 5.403 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3ccc4c(ccn4Cc4ccccc4)c3)CC2)c1 469366484 BJXDPACDHHZBEU-UHFFFAOYSA-N 435.527 5.245 30 20 IKED COc1cc(CN2C[C@H](C)O[C@H](c3ccsc3)C2)ccc1OCc1cccc(C#N)c1 470196510 ZQZQIDSLPGXXOF-BVZFJXPGSA-N 434.561 5.169 30 20 IKED COCCOC1CCC(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 474897717 DTUCXVJLLGLCQI-ZNIKRAEXSA-N 426.944 5.156 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(n2cc(Br)cn2)CC1 475571136 UQFUIDRXTPWYRI-UHFFFAOYSA-N 431.378 5.367 30 20 IKED O=C(Nc1ccc(Br)cc1OC(F)(F)F)c1ccc(F)cc1C(F)(F)F 476080366 QUHVNUDUZZSLBR-UHFFFAOYSA-N 446.116 5.758 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F 481304651 YJQPAAOGSRJPGM-SFHVURJKSA-N 428.886 5.509 30 20 IKED Cc1nc(-c2ccc(S(=O)(=O)Nc3ccccc3SC[C@H](C)C#N)s2)cs1 481624429 URENPOYBXJERIM-GFCCVEGCSA-N 435.621 5.233 30 20 IKED Cc1ccccc1-c1nc(C)c(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)s1 481772586 AXGDNGWWSJZPRR-UHFFFAOYSA-N 427.533 5.353 30 20 IKED N#C[C@@H](C(=O)c1ccc2nc(-c3ccccc3)oc2c1)c1nc2ccccc2n1C(F)F 483487818 GPGRMZQKJGLHKL-INIZCTEOSA-N 428.398 5.730 30 20 IKED Cc1ccc(-c2cccnc2)cc1NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 484942929 RNNILWZEUBFVGC-UHFFFAOYSA-N 448.482 5.298 30 20 IKED Cc1nc(NC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)sc1SCC#N 486041272 WNEYMGQDLIYULJ-ZIAGYGMSSA-N 426.592 5.365 30 20 IKED O=C(Nc1nc(C(F)(F)F)cs1)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 486829145 XPLCGAYKEITNKZ-VIFPVBQESA-N 435.296 5.188 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)c1nnc(-c2cccs2)o1 489622561 VBBWEFAJNAUADZ-OAHLLOKOSA-N 439.566 5.316 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3SC)o2)cc1 489809244 VGEXVQXPBCFPCR-CQSZACIVSA-N 427.551 5.143 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 490784300 NNYWLADVAICZSD-UIFIKXQLSA-N 426.442 5.253 30 20 IKED COc1ccccc1CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 496187105 KFJCAACWCXLKLJ-UHFFFAOYSA-N 427.504 5.027 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2ccc(Br)cc2)n1)c1nc(-c2ccccc2)cs1 496198193 SDYJGNLXHMZGOF-QGZVFWFLSA-N 449.333 5.248 30 20 IKED N#Cc1c(NC(=O)c2ccnc(SCC(F)(F)F)c2)sc2c1-c1ccccc1CC2 496357656 IGAPRGQWFFYWQS-UHFFFAOYSA-N 445.491 5.687 30 20 IKED C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1nc(-c2ccccc2)cs1 502046952 SGZPAQDISAEFJS-OAHLLOKOSA-N 445.573 5.612 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(CN2CC=C(c3ccc(C#N)cc3)CC2)cs1 502517318 QWSBLFQCNGUZIA-UHFFFAOYSA-N 428.561 5.297 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3nc(-c4ccoc4)no3)n2)o1 504535192 YYHZUQGJFNSLNE-UHFFFAOYSA-N 432.383 5.476 30 20 IKED CN(C(=O)CSCc1ccc(C#N)cc1)[C@H]1CCSc2ccc(Br)cc21 504633139 DOYJTQLROYJJGP-SFHVURJKSA-N 447.423 5.249 30 20 IKED CC(C)c1noc2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c12 505440441 PXRCCWMNFMURNV-CQSZACIVSA-N 436.924 5.977 30 20 IKED CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)c1 505508072 VNTIASBJTCUDPO-GOSISDBHSA-N 432.351 5.106 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2nc(-c3ccccc3)oc2C)cc1 505703619 SPYCQKYRVXZJSO-UHFFFAOYSA-N 425.444 5.575 30 20 IKED N#Cc1ccc(N2CCC(c3nc(-c4ccc(Oc5ccccc5)nc4)no3)CC2)c(F)c1 508052856 MMBRXVNZKYGKES-UHFFFAOYSA-N 441.466 5.319 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 508257692 IOQDIGFPYZIYEF-FQEVSTJZSA-N 449.507 5.857 30 20 IKED Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cc12 509560792 XYZNUCVYTOKNRO-KRWDZBQOSA-N 440.450 5.358 30 20 IKED COc1ccc(F)cc1[C@H](C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511343842 VQUKSPOJWQQCPS-KRWDZBQOSA-N 433.483 5.362 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc4c(Br)cccc4[nH]3)s2)cc1 511354118 VJZBJLSINXWFRN-UHFFFAOYSA-N 437.322 5.102 30 20 IKED N#C[C@@H](C(=O)c1cc(F)c(Br)c(Cl)c1)c1nc2ccccc2n1C(F)F 513662691 YSVUIMARRLULSF-VIFPVBQESA-N 442.622 5.476 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccccc2)C2CC2)cc1Cl 515973432 XOVATUPTQPGIEK-QHCPKHFHSA-N 443.934 5.125 30 20 IKED COc1cccc(C[C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 519053651 MLIWDPZGWCUMPJ-JOCHJYFZSA-N 427.504 5.598 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](CC)c1nc(C)cs1 519203414 BZEOJSCRSLYPQW-MRXNPFEDSA-N 426.355 5.202 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc4ccccc4c3C(F)(F)F)n2)cc1 519249009 SFHJROHNFOXMKH-MRXNPFEDSA-N 437.446 6.176 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)ccc2N2CCOCC2)cc1Cl 519351027 YVKDYUJDVYWKTN-JOCHJYFZSA-N 449.913 5.223 30 20 IKED CN(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1 520714402 RPFNFTBPXPGAPV-UHFFFAOYSA-N 437.858 5.097 30 20 IKED C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 521091364 LUDQUGPLBCWEKP-HXUWFJFHSA-N 440.547 5.050 30 20 IKED N#CC1(NC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CCCC1 521479554 PRRNZOZLNSOYTB-GHRIWEEISA-N 432.505 5.088 30 20 IKED C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 521954920 IPSWTGDYKXPIIZ-AWEZNQCLSA-N 426.303 5.886 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(COc4ccc(C#N)cc4)c3)n2)cc1 522479524 CRTRCXMDRJEFDR-DEOSSOPVSA-N 449.535 6.059 30 20 IKED N#CCC[C@@H](NC(=O)Nc1nnc(SCc2ccc(F)cc2)s1)c1ccccc1 533499745 IHZDDPKOYJNBEV-QGZVFWFLSA-N 427.530 5.136 30 20 IKED O=C(Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1)c1c(F)c(F)cc(F)c1F 534969997 JODCTYDOMRXZHJ-UHFFFAOYSA-N 436.110 5.743 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1 536055076 FLFIPVUWWKSYRD-SFHVURJKSA-N 429.545 5.610 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(CCCn3ccnc3)CC2)cc1 542168352 RLMBCIUXKGAWGK-UHFFFAOYSA-N 444.604 5.380 30 20 IKED Cc1cc(C)c(NC(=O)CNC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(C)c1 543017907 RCYUGHRRGVYYSZ-HXUWFJFHSA-N 440.547 5.149 30 20 IKED COc1cccc([C@@H]2C[C@H](C)CN2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1 544233660 QWYYRHPMFBXJCP-LIRRHRJNSA-N 433.430 5.123 30 20 IKED COc1cc2c(cc1C(=O)[C@@H](C#N)c1nc(-c3ccc(Cl)cc3Cl)cs1)OCO2 546861975 YGGRLKXMESGRJC-CYBMUJFWSA-N 447.299 5.344 30 20 IKED Fc1ccc(-c2cnc(CN[C@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)o2)cc1 547749346 HSOHSQSJLMSYKT-MRXNPFEDSA-N 432.339 6.283 30 20 IKED COc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc(Br)c1OC 550699745 UENLPQDNBZOSDO-LBPRGKRZSA-N 435.343 5.113 30 20 IKED CCCCn1ncc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1C(C)C 553502950 BVSCGRAKKSTRLZ-UHFFFAOYSA-N 442.007 5.577 30 20 IKED N#CCCCn1cc(-c2nc(Cc3ccc(Oc4ncccn4)cc3)no2)c2ccccc21 554799820 UHGWFFVHRLVKQL-UHFFFAOYSA-N 436.475 5.168 30 20 IKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(CN[C@@H](C)c2ccc(C#N)cc2)cs1 558742937 PQCLWNJSIHGCNO-ZDUSSCGKSA-N 445.375 5.857 30 20 IKED Cc1ccc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1OCC(F)F 588716874 RGIXDPSQIWAKIX-GHMZBOCLSA-N 448.354 5.670 30 20 IKED C=CCN(CCc1ccccc1)C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 590332691 ZRXRYCCACCJISQ-UHFFFAOYSA-N 431.511 5.270 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1 603738420 AYZBUOKJGRCRHO-INIZCTEOSA-N 443.532 5.363 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1[N+](=O)[O-] 603838588 VFYAIRWMTCHYCH-CQSZACIVSA-N 432.288 5.824 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(F)cc1I 603969073 ZGWCJXDCVBAHBI-UHFFFAOYSA-N 448.260 5.283 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cnn(-c4cccc(Cl)c4)c3)cc2)c1 609063757 KNYKDRPCMPOAHL-UHFFFAOYSA-N 428.879 5.229 30 20 IKED C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609184674 BSLNSOZERCJORU-FQEVSTJZSA-N 426.516 5.063 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3sc4cc(Cl)ccc4c3Cl)CC2)c1 609184761 AAMJFJBVVYETHC-UHFFFAOYSA-N 431.344 5.763 30 20 IKED COc1ccc(CN(C(=O)c2cc3ccccc3n2CC#N)C2CCCCC2)cc1OC 609215708 KYZXEMWTFDLQBX-UHFFFAOYSA-N 431.536 5.157 30 20 IKED C[C@@H](C#N)CSc1ccccc1NCc1nc(Cc2cccc(Br)c2)no1 609450229 AAHRPFYHTGHJBH-AWEZNQCLSA-N 443.370 5.287 30 20 IKED Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 609643178 ZFYTYACMEZDNSX-UHFFFAOYSA-N 447.538 5.683 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCO[C@H](c3cccc(F)c3)C2)c1 609731362 JQNYVSYEBXURBG-QHCPKHFHSA-N 436.870 5.357 30 20 IKED CC[C@H](c1ccc(F)cc1)[S@](=O)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 610012087 DMSDHLYVYOHEKN-OOWIMERYSA-N 437.536 5.685 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC3(CCCC3)CC2)cc1Cl 610035413 VLFHAFGXZSIHQC-NRFANRHFSA-N 435.955 5.117 30 20 IKED CCCCOc1ccc(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)cc1OCC 610077676 PRNSIVMNVMQXTD-UHFFFAOYSA-N 432.524 5.191 30 20 IKED C[C@@H](c1ccccc1)n1ccc(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)n1 610734647 CWAAGDQXZQYJEB-INIZCTEOSA-N 428.521 5.055 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)c1 610765788 JNSFHFCKKCMYRL-UHFFFAOYSA-N 428.879 5.120 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](C[C@H]3CCOC3)c3ccccc3)cn2)cc1 611075179 BGZKQOKWFZPUPR-AUSIDOKSSA-N 428.492 5.035 30 20 IKED C[C@H](NCc1nc(O)c2ccc(C(F)(F)F)cc2n1)c1ccc(-c2cccc(C#N)c2)cc1 611727863 JJGHSEOTKRMZQG-HNNXBMFYSA-N 448.448 5.744 30 20 IKED N#C[C@H](C(=O)c1csc(-c2cc(Br)cs2)n1)c1ccc2ccccc2n1 617896431 ZIBIBBDWSSZZMP-ZDUSSCGKSA-N 440.347 5.672 30 20 IKED Cc1nc(COc2ccccc2C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cs1 642282475 VACOLSIMUDPTKI-MRXNPFEDSA-N 438.459 5.265 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1SCc1nc2ccccc2c(C)c1Cl 684255691 UYXQAVDTOTWZND-UHFFFAOYSA-N 442.032 5.295 30 20 IKED N#Cc1ccc(N2CCC(NC(=O)/C=C\c3ccc(-c4ccccc4Cl)s3)CC2)nc1 727341793 BBTUNBUSSDEVEE-YFHOEESVSA-N 448.979 5.134 30 20 IKED N#CCOc1ccc(CNC(=O)c2ccccc2Oc2cccc(Br)c2)cc1 727677088 NNMCLBLYUJNUMM-UHFFFAOYSA-N 437.293 5.074 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1cccc(C#N)c1 728061904 DQOXHLJNYLZDEH-MRXNPFEDSA-N 430.895 5.101 30 20 IKED CN(C(=O)Nc1cccc(OCC#N)c1)[C@H]1CCSc2ccc(Br)cc21 729037226 QQAVETOCNIIHMT-KRWDZBQOSA-N 432.343 5.052 30 20 IKED N#CCOc1cccc(NC(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)c1 730172302 MMEVMUHYKXVTBT-NRFANRHFSA-N 426.900 5.854 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@H]1C[C@H]1c1cccc2ccccc12 730919366 CJHVZFOXKZVRJS-ACRUOGEOSA-N 436.483 5.606 30 20 IKED N#C[C@@H](NC(=O)c1csc(COc2ccc(F)cc2)n1)c1cccc(Cl)c1Cl 731195790 OUXKQOBTCCCPRO-OAHLLOKOSA-N 436.295 5.163 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)cc2)C[C@@H](C)O1 731980857 HRWWPAQKJHXCMN-BGYRXZFFSA-N 441.531 5.411 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)ccc1OC 733276019 AILQGRBJCFKQJM-FQEVSTJZSA-N 426.944 5.158 30 20 IKED N#CCOc1ccc(CNC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)cc1 734063515 HKPXFUVGPCRLOY-UHFFFAOYSA-N 442.397 5.117 30 20 IKED O=S(=O)(Cc1cccc(N=Cc2c(O)ccc3ccccc23)c1)c1ccc(F)cc1F 735228403 BAZVMEALUMMPBS-UHFFFAOYSA-N 437.467 5.548 30 20 IKED FC(F)(F)c1cc(Cl)c(=S)n(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 735301886 RZVZOTFAOWBQLD-UHFFFAOYSA-N 432.739 5.664 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)CCc3c(-c4ccccc4)[nH]c4ccc(F)cc34)[nH]c12 735792375 KYDBIMTVOQJFKY-NRFANRHFSA-N 436.490 5.968 30 20 IKED CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1 740033483 ZXJQEJJFUYFOIY-QGZVFWFLSA-N 446.576 5.271 30 20 IKED Cc1cc(N2CCSCC2)ccc1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740444918 SCQMWUMNGBBPNU-UHFFFAOYSA-N 448.617 5.470 30 20 IKED O=C(/C=C\c1csc(COc2ccc(Cl)cc2)n1)c1c(Cl)nc2sccn12 741849244 UNWKUARBVJRXLO-UTCJRWHESA-N 436.345 5.634 30 20 IKED C[C@H](OC(=O)c1occc1COc1cccc(C#N)c1)C(=O)Nc1cccc2ccccc12 744926493 YWTOGVJVSPRIGO-KRWDZBQOSA-N 440.455 5.067 30 20 IKED Cc1sc(NC(=O)COC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(C)c1C 745003304 DHAGCVYESDAMPY-UHFFFAOYSA-N 434.517 5.327 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccc(Cl)c(Cl)c1 747103643 DOXLBSIDRDGFRY-GWCFXTLKSA-N 446.359 5.562 30 20 IKED CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 748482706 NFICRMXCZLBOIN-WMZOPIPTSA-N 429.973 5.067 30 20 IKED COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3c[nH]c4cc(F)ccc34)cc2OC)o1 749454306 XUXSJYPFXAROBR-FPYGCLRLSA-N 449.434 5.170 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N[C@H](C[C@@H]3CCOC3)c3ccccc3)c2)s1 753064652 MNGZNSQDLCUWQF-WMZHIEFXSA-N 431.561 5.254 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)c(C(F)(F)F)c1 754237908 SCEGFYFBKBLAQG-UHFFFAOYSA-N 439.821 5.830 30 20 IKED Cc1cc([N+](=O)[O-])ccc1C=Nn1c(C)nc2scc(-c3ccc(Cl)cc3)c2c1=O 758080030 MKVHDXHGZKLXNZ-UHFFFAOYSA-N 438.896 5.186 30 20 IKED N#CCOc1ccc(Cl)cc1COc1c([N+](=O)[O-])cnc2ccc(Br)cc12 758870238 ORLLHRKTLKTJAS-UHFFFAOYSA-N 448.660 5.040 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc2c(c1)CCCC2 761095630 JUCBJSNTRVJYPA-NIYFSFCBSA-N 437.543 5.037 30 20 IKED N#C[C@H](C(=O)CC1(CSc2ccccc2)CC1)c1nc(O)c2c3c(sc2n1)CCCC3 770843056 NJZYBWNNLUJTHO-QGZVFWFLSA-N 449.601 5.415 30 20 IKED CCCC[C@@H](ON=C(C)C)C(=O)N1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 773671447 XHJUMQWNJHLYCV-PGRDOPGGSA-N 443.613 5.496 30 20 IKED N#Cc1ccc(CN2CCC(Nc3cccc(CC[C@H](O)c4ccccc4)c3)CC2)cc1 777674452 GEDOMNSPXSLXHG-NDEPHWFRSA-N 425.576 5.301 30 20 IKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 780306779 ZZOOOUOSEHCKDH-NRFANRHFSA-N 435.483 5.180 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 782029450 TURUWUCTZWUOIF-LJQANCHMSA-N 442.302 5.042 30 20 IKED Cc1cc2oc(=O)cc(CNc3ccc4c(c3)CCC(=O)N4CCCC#N)c2cc1C(C)C 786792241 FPYVMWIXONEBRG-UHFFFAOYSA-N 443.547 5.420 30 20 IKED CCCOc1c(Cl)cc(/C=C(/C(=O)c2cccc(OC)c2)c2ncc[nH]2)cc1OC 787168956 JYNHVADRXKRFTQ-WQRHYEAKSA-N 426.900 5.293 30 20 IKED C=CCCCNC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 791111869 KULTZVIJDNTCDG-UHFFFAOYSA-N 427.620 5.652 30 20 IKED COc1ccc(C(=O)C[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 796902330 BKZSEUMFMAZAJL-CJNGLKHVSA-N 440.471 5.182 30 20 IKED C[C@@H]1CCCN(c2ccc(CNCc3cn(CCC#N)nc3-c3ccccc3)cc2Cl)C1 800277107 SNLDIVVMFIPIPZ-HXUWFJFHSA-N 448.014 5.643 30 20 IKED N#CCCCn1cc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2)c2ccccc21 804414023 ZLNIRYCTGLSNCP-MHZLTWQESA-N 437.543 5.321 30 20 IKED C[S@@](=O)c1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 805857236 QWJFZQNYYMCNQT-DEXQXJORSA-N 449.384 5.273 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(n2c(C)nc3ccccc32)CC1 812188713 VFTQFHSUPFSPQE-UHFFFAOYSA-N 447.974 5.069 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl)c1ccccc1 814615693 OCGNKKHDJJGRCI-ROUUACIJSA-N 448.419 6.529 30 20 IKED CCN(Cc1cccc(NC(=O)c2sc3ccc(C#N)cc3c2C)c1)C(=O)C(F)(F)F 815336063 KJTSHJQXJDXGPR-UHFFFAOYSA-N 445.466 5.245 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(OC(F)F)c(F)c1 815908065 RHJJRPCUVXWLIU-INIZCTEOSA-N 440.377 5.181 30 20 IKED N#Cc1ccccc1Oc1ccc(-c2nc(Cn3cnc4ccccc43)no2)cc1Cl 904735874 FVYRVXZZIGIDKN-UHFFFAOYSA-N 427.851 5.452 30 20 IKED COc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3ccccc3F)s2)cc1OC 912796415 UGWQOTOQKWTVHW-UHFFFAOYSA-N 440.525 5.001 30 20 IKED COc1ccc2cc(/C=C/C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)ccc2c1 915055498 QBYOEMOACWYQMV-WUXMJOGZSA-N 435.483 5.868 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1 915086092 GFHLSQFGGWHPPZ-OAQYLSRUSA-N 429.907 5.375 30 20 IKED Cc1cc(CSc2ccccc2C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)on1 915104571 SCPVFSDQFZODIH-MRXNPFEDSA-N 438.459 5.510 30 20 IKED N#CCOc1cccc(NC(=O)[C@H](Oc2cccc(Br)c2)c2ccccc2)c1 916409749 MPLVQLXCYRHRFQ-OAQYLSRUSA-N 437.293 5.110 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1sc2cccc(F)c2c1C 916901312 DVDCRDQJHSHTSS-LBPRGKRZSA-N 430.888 5.280 30 20 IKED N#C[C@H](C(=O)COc1c(Cl)cccc1Cl)C(=O)Nc1cc(Cl)cc(Cl)c1 916944810 NTJACOGCXDEQKX-GFCCVEGCSA-N 432.090 5.027 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 916956123 XUSBTLFNXVJSAU-UUOWRZLLSA-N 439.515 5.414 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc3c4c(cccc24)CC3)cs1 917558976 BMZXJBPBBYOXBQ-GXDHUFHOSA-N 442.515 6.115 30 20 IKED N#C[C@H](C(=O)NC1CCCC1)C(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1 919666886 OOLPFCFIJNBGEA-SFHVURJKSA-N 447.387 5.667 30 20 IKED COc1ccccc1N=C1SCCN1C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 920089079 UJWSOPFDIZKIAN-UHFFFAOYSA-N 437.569 5.021 30 20 IKED CCn1cc(C(C)=NNc2ncnc3cc(-c4ccc(Br)cc4)sc23)cn1 920987285 HWTUZONKYFZHLY-UHFFFAOYSA-N 441.358 5.173 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)cc1OC 921008449 FTFWTNBAOUKXJF-PMTSLALWSA-N 448.563 5.092 30 20 IKED COc1c(Cl)cc(Cl)cc1C=Nn1c(C)nc2scc(-c3ccccc3)c2c1=O 921255702 ZWPZIJOQSNEAFH-UHFFFAOYSA-N 444.343 5.631 30 20 IKED CC[C@@H](C)Cc1c(C)sc2nc(SCCC(=O)Nc3cccc(C#N)c3)nc(O)c12 1307282787 TYMHMNKJYAWQDX-CYBMUJFWSA-N 440.594 5.287 30 20 IKED N#Cc1ccc(CN(CCOc2ccc(F)cc2Cl)c2ccc3nc(O)[nH]c3c2)cc1 1473241041 SRRMFNWIBJNXBO-UHFFFAOYSA-N 436.874 5.018 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)/C=C\c3c[nH]c4ccccc34)cc2)CCC1 1786778256 XGIXIHLVCIEHJO-JYRVWZFOSA-N 445.588 5.234 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CS[C@H]3CCCCO3)cc2)CCC1 1789543658 LOXXQZOAKLTXQW-QHCPKHFHSA-N 442.625 5.149 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccs2)CC1 1825312685 PBQAWPQTTWTQCC-QFIPXVFZSA-N 430.658 5.293 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3cnccc23)CC1 1828829195 ZDMVYVYSCQNHSH-BVAGGSTKSA-N 445.607 5.237 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2ccco2)CC1 1829071264 QWHYEOJKNGBNHW-NFBKMPQASA-N 428.617 5.070 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)cc2OC)CC1 1832533235 DTUIMZVGYHYQJL-QFIPXVFZSA-N 444.591 5.060 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC2Cc3ccccc3C2)CC1 1832954394 DAFUYLNKGYINHC-SVBPBHIXSA-N 448.651 5.180 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1ccc(-c3ccc(Cl)cc3)o1)C2 1844201510 FQELTXKHSSFEOF-HXUWFJFHSA-N 438.955 5.185 30 20 IKED COc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2cccc(O)c2)cc1 22731176 MPODZUFSQVBWAJ-UHFFFAOYSA-O 435.569 5.037 30 20 IKED Cc1cc(C)c(C#N)c(SC[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)n1 58013011 XZEVQSKBGYXQKI-NRFANRHFSA-N 440.515 5.108 30 20 IKED COc1nc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc2ccccc12 303087731 YJDWADDEYHDKJT-UHFFFAOYSA-N 425.463 5.097 30 20 IKED CCOc1c(OC)cc(/C=C/C(=O)c2sc(-c3ccc(F)cc3)nc2C)cc1OC 303151640 MVKIRNDTLGYPEI-IZZDOVSWSA-N 427.497 5.570 30 20 IKED CN(CCOc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 303185942 LMYIHHBRKFXUQQ-UHFFFAOYSA-N 435.911 5.333 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 426287495 ZMLZRWBADDYGPZ-UHFFFAOYSA-N 433.839 5.226 30 20 IKED Cc1nc(C)n(Cc2cccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)c2)n1 427170039 KQFNZVCAXUNXFZ-UHFFFAOYSA-N 437.503 5.054 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C(C)C 430417006 KORSJMHCTVZMHZ-UHFFFAOYSA-N 430.291 5.904 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2c(F)cc(F)c(F)c2F)cc1 430947503 BHZBDIHPJAGZHA-UHFFFAOYSA-N 443.400 5.210 30 20 IKED Cc1cc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)n(-c2ccc(C(F)(F)F)cn2)n1 431697230 HCBKOQZCOGUOEB-SFHVURJKSA-N 442.445 5.151 30 20 IKED C[C@@]12CCN(C(=O)Nc3cc(C(F)(F)F)ccc3SCC(F)(F)F)C[C@@H]1C2(F)F 432967695 ZTKQGYNJLGOSNV-GXTWGEPZSA-N 448.379 5.869 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@@H](O)Cc1ccccc1 437399189 ZCVIFWZSWUNZJA-YJGRUCBDSA-N 433.939 5.109 30 20 IKED CCN(Cc1ccc(CN(C)C)cc1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438670177 KJJHTFGHNBWGNF-UHFFFAOYSA-N 446.526 5.605 30 20 IKED N#CCC[C@H](NC(=O)CCc1nc2cc(Br)ccc2s1)c1ccccc1 439675732 UBQKTZJHXPXFID-INIZCTEOSA-N 428.355 5.153 30 20 IKED CN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCSc2ccc(Br)cc21 441321558 HCLHPDYYXGHYOB-QGZVFWFLSA-N 441.354 5.040 30 20 IKED N#Cc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1C(F)(F)F 443891404 GJPGKBUVGOCCCX-UHFFFAOYSA-N 442.294 5.173 30 20 IKED Cc1ccccc1[C@H](CC(F)(F)F)NCCC(=O)Nc1sc2c(c1C#N)CCCC2 444783329 SJZFWUYISQEPJG-SFHVURJKSA-N 435.515 5.419 30 20 IKED Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)c2cc(C(F)(F)F)ccc2F)n1 448458728 ZTDSDOAPFGPHCF-UHFFFAOYSA-N 433.283 5.474 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)cc1 461700641 LRYHYCLPDRXHRY-UHFFFAOYSA-N 442.466 5.588 30 20 IKED CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 465293808 FSBFYBNAJGBEMM-UHFFFAOYSA-N 428.488 5.487 30 20 IKED COCc1ccc([C@@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)o1 467161935 PGRYEBLHPZLQFR-GGAORHGYSA-N 449.938 6.104 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469124144 WJSXGWVSOJLEHX-IBGZPJMESA-N 432.568 5.141 30 20 IKED C[C@@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccc(-c2ccncc2)cc1 470016915 GYBDDWUJPQKDTD-HXUWFJFHSA-N 433.511 5.690 30 20 IKED N#CC(CCN1CCC(c2nc(-c3ccccn3)no2)CC1)(c1ccccc1)c1ccccc1 472587429 VJCKTJOCQSWMHK-UHFFFAOYSA-N 449.558 5.211 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(NC(=O)c2cccnc2)cc1 475562321 FJRLLIJVSADHCW-UHFFFAOYSA-N 428.536 5.508 30 20 IKED Cc1nn(CC(F)(F)F)cc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 477321787 GVJRCKPFVVPCOR-KRWDZBQOSA-N 432.833 5.315 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3cc(Cl)ccc3-c3ccc(C)o3)C2)n1 477890796 LOFUSGRWLHKASG-GOSISDBHSA-N 434.927 5.339 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2csc(-c3ccco3)n2)cc1 479619251 XZGSAJIBCLVNBZ-UHFFFAOYSA-N 446.507 5.326 30 20 IKED CC(C)CN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@H]1CCCc2cccnc21 479721656 QDMWMUUIJAUEOG-QFIPXVFZSA-N 445.592 5.568 30 20 IKED Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1ccccc1Sc1ccccc1C#N 480116712 AHPKUWUSRQVHBP-UHFFFAOYSA-N 443.572 6.255 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3ccc(Oc4ccc(F)cc4F)cc3)CC2)c1 482340863 DXQIOJCZGHQWFI-UHFFFAOYSA-N 434.442 5.312 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N(C)[C@@H](C)c1cccnc1 483245149 LGYIHZQZMAGIEE-KRWDZBQOSA-N 434.565 5.253 30 20 IKED C=CCOc1ccccc1C(=O)Nc1cc(OC)c(Br)cc1Br 486118833 JBNNYQCRBKTYOJ-UHFFFAOYSA-N 441.119 5.037 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCc3cccc(OC)c3CC2)cc1 488369627 FHRZZDLKXHVYPM-UHFFFAOYSA-N 443.503 5.000 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1 490625910 GXVGNPLBWRFPPB-UHFFFAOYSA-N 441.409 5.061 30 20 IKED COc1ccccc1CN(Cc1cccs1)Cc1cn(C)nc1-c1ccc(C#N)cc1 491876813 VHWZQVPLUYQCSZ-UHFFFAOYSA-N 428.561 5.231 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccccc3)[C@@H](CO)C3CC3)cc2)c1 492158890 NYZSXLDPUNMMMZ-VWLOTQADSA-N 427.504 5.156 30 20 IKED Cc1nn(-c2ccc(Br)cc2)cc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 492246795 WHPHPGIOFWMDAY-OAHLLOKOSA-N 429.343 5.013 30 20 IKED Cc1cccc(-c2cncc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c2)c1 492257091 JQIFOMUAWJLUTB-IBGZPJMESA-N 440.528 5.136 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)CC 504280764 KSVCXECBZPHIGC-IBGZPJMESA-N 447.608 5.319 30 20 IKED C[C@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(NC(=O)c2ccncc2)cc1 506723078 CWVQQMVWYYQOEC-KRWDZBQOSA-N 427.508 5.018 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(F)c(Br)c1 507679867 VUQSSIFYKRDTHO-CYBMUJFWSA-N 440.272 5.138 30 20 IKED Cc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c(OC[C@@H]2CCCO2)c1 508038282 CAMVEUFFGKXRGQ-DEOSSOPVSA-N 442.515 5.256 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)CSc2cccc(C(F)(F)F)c2)cc1 508130597 GYNLLACZFMMCOZ-UHFFFAOYSA-N 434.483 5.250 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cc1 508252046 MYYRTMJEJFZIIM-JOCHJYFZSA-N 445.494 5.737 30 20 IKED C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@H](CC(F)(F)F)C1 508849243 QANJDFANJDMSAM-OAHLLOKOSA-N 433.503 5.342 30 20 IKED C=CCn1c(-c2cccnc2)nnc1N1CCC(F)(c2ccccc2C(F)(F)F)CC1 508864985 RURUPFBICLIRNZ-UHFFFAOYSA-N 431.437 5.010 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@]4(CCc5ccccc54)C3)cc2)cc1 510895130 QOXHRFQTSBMKJL-AREMUKBSSA-N 425.488 5.056 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CNc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 511732921 FWYUCPBCOHSWPP-UHFFFAOYSA-N 446.816 5.468 30 20 IKED N#Cc1c(NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)sc2c1CCCC2 516481446 ZUQWFZLOMWRQJA-UHFFFAOYSA-N 431.546 5.060 30 20 IKED Cc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 518078725 JOFODXGXVHXKAR-KRWDZBQOSA-N 447.922 5.471 30 20 IKED N#Cc1c(NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)sc2c1CCCCC2 518170392 YJGCSLAVPWRKFR-UHFFFAOYSA-N 448.013 5.094 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CC1 520366755 ZWCYESMUDSBIGN-UHFFFAOYSA-N 428.319 5.466 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)cc2)cc1 520599553 YEVMLUMEIHHVDG-HXUWFJFHSA-N 440.503 5.233 30 20 IKED Cc1sc2nc(SCC(=O)Nc3ccccc3S[C@@H](C)CC#N)nc(N)c2c1C 520814809 MXVWOCAOBKAPKE-NSHDSACASA-N 443.623 5.015 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](COCC(C)C)c1ccco1 522953448 ZLEXIGTZWRPTHT-QHCPKHFHSA-N 433.508 5.787 30 20 IKED Cc1noc2nc(C(C)C)cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c12 523230211 RWTPWMXAVCCTMV-MRXNPFEDSA-N 436.924 5.922 30 20 IKED COc1ccc(CN(C)C)cc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 523978847 VOEOYYMRBBXDBI-UHFFFAOYSA-N 435.911 5.326 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C 524077002 NOGSEZJJUYGHNO-GHTZIAJQSA-N 429.495 6.208 30 20 IKED Cc1c(NC(=O)c2occc2COc2cccc(C#N)c2)cccc1OCC(F)(F)F 524359777 MGISVDXIHBSARI-UHFFFAOYSA-N 430.382 5.232 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccccc2Cl)nc1)c1nc2ccccc2n1C(F)F 530858247 QFNQERHPEGPIHT-AWEZNQCLSA-N 438.821 5.762 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Oc4ccc(CO)cc4)cc3)o2)cc1 533197504 OBKZOTOJTYKQJK-UHFFFAOYSA-N 440.455 5.267 30 20 IKED CN(C(=O)c1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1)c1ccccc1 534583759 MOTWMTQQKQPHDP-LJQANCHMSA-N 444.441 5.198 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cnc(Oc3ccccc3)cn2)cc1 536897796 PSXVPPMGJKHFTR-UHFFFAOYSA-N 436.471 5.166 30 20 IKED Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 537103575 FWOYCIJJQJOIQF-QHCPKHFHSA-N 429.524 5.041 30 20 IKED COc1ccccc1Nc1nc2sc(C(=O)N(CCC#N)Cc3ccco3)cc2s1 540493636 IWWUQDVUAPWCGP-UHFFFAOYSA-N 438.534 5.259 30 20 IKED C[C@](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)(c1ccc(F)cc1)C(F)(F)F 541937996 FHHTULMHOWKYEO-NRFANRHFSA-N 429.373 5.092 30 20 IKED Cc1c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)oc2c(Br)cccc12 542043187 KQTDOFOKIFMAIR-LBPRGKRZSA-N 429.339 6.150 30 20 IKED Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1ccccc1SC[C@H](C)C#N 542137431 LWBACLFOWMYHFZ-VUMVONDWSA-N 446.576 5.149 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)c3sc(C4CC4)nc3-c3ccccc3)n2)c(F)c1 542933086 IVWUDLUHSJXJPQ-UHFFFAOYSA-N 429.480 5.136 30 20 IKED CN(C(=O)c1cccc(OCc2ccccc2C#N)c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 543509256 WUMCQVFFPTVKOV-RSXGOPAZSA-N 444.506 5.269 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@H]3CCO[C@H](c4ccc(F)cc4)C3)cc2)cc1 544456391 JNKCTDUUOIWZRT-DHLKQENFSA-N 430.479 5.334 30 20 IKED CC(C)c1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c2cnn(C(C)C)c2n1 549797488 WSHIOZPKEATXIU-HNNXBMFYSA-N 437.956 5.889 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)N(C3CC3)[C@H]3CCCC[C@@H]3C3CCCCC3)CC2)o1 551586611 HCRXUFPHPOHAPA-VWNXMTODSA-N 438.616 5.201 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](c2cccs2)C1 555265627 NQCQSLAAYBRQPU-VQIMIIECSA-N 444.988 5.287 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1 557600211 ZLJMABHIKXXUBH-UHFFFAOYSA-N 433.476 5.320 30 20 IKED Cc1nc(C(F)(F)F)ccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 558806305 BUSMDERXAZRTRA-UHFFFAOYSA-N 442.416 5.654 30 20 IKED C[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Oc2cccnc2)cc1 568439988 HJFHHEXHUBNKRX-MOPGFXCFSA-N 446.576 5.415 30 20 IKED C[C@](C#N)(NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)C1CCCCC1 572673722 LXEZZFBQVYXEBW-RCZVLFRGSA-N 437.971 5.180 30 20 IKED COc1ccc([C@@H](NCc2ccc(Br)cc2C#N)c2ccccc2OC)cc1 573405272 XHPVOPSCQMBRMR-HSZRJFAPSA-N 437.337 5.217 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC(c2nc3ccccc3s2)CC1 575772873 NIZPRZGNULPSGI-UHFFFAOYSA-N 438.556 5.503 30 20 IKED C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(NC(=O)C2CCCCC2)CC1 578770601 KTNKHDVDDKZMKO-XMMPIXPASA-N 449.643 5.061 30 20 IKED CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 591206766 PCHPPLVRLUBKCA-LJQANCHMSA-N 428.488 5.278 30 20 IKED Cc1nc2ccccc2c(C)c1CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 603814305 HAWVRVCUFJLWPL-UHFFFAOYSA-N 435.527 5.678 30 20 IKED N#Cc1ccnc(SC[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 603839679 XYNPOXGXLHWFEK-FQEVSTJZSA-N 445.371 5.519 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(COc3ccc(Cl)cc3)cc2)n1 604433366 KNVSBNZAQSRTTP-SFHVURJKSA-N 440.908 5.042 30 20 IKED CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604456718 NYATXJQXKRIKHI-UHFFFAOYSA-N 442.500 5.683 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(-n4nccc4C(F)(F)F)c3)cn2)c1 604533731 LTUPBGUAZDXWBS-UHFFFAOYSA-N 449.392 5.202 30 20 IKED O=C(Nc1cc(F)ccc1Oc1ccccc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 605032556 ZVOROKPLKOKQEW-UHFFFAOYSA-N 436.327 5.967 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c12 605363104 IZRGJTPUYRVISW-QGZVFWFLSA-N 441.878 5.461 30 20 IKED C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 606174458 MCMNVIKQZWUVRU-RABLLNBGSA-N 449.357 5.910 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1Cl 608937707 HQWVQSSYERCBJH-VWLOTQADSA-N 443.978 5.846 30 20 IKED C[C@@H](C#N)CSc1ccccc1NCC(=O)Nc1ccc(OCc2ccccc2)cc1 609384772 UIRRVXYXXRJLOL-IBGZPJMESA-N 431.561 5.568 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 609427655 XXTYSCHXUMWXJW-UONOGXRCSA-N 448.375 5.379 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC=C(c2cccc3ccccc23)CC1 609435083 OHTHSKUMJPZTPB-IBGZPJMESA-N 427.573 6.555 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccco2)cc1 609928877 GQIHXIBEZBOWOR-OAQYLSRUSA-N 431.492 6.101 30 20 IKED C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609929299 MKTCVGBNVCVTHQ-UTKZUKDTSA-N 447.485 5.825 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N3CCC(c4n[nH]c(-c5ccccc5)n4)CC3)c2)cc1 609990161 GBEBBFNWAOMMIX-UHFFFAOYSA-N 448.530 5.107 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)oc2c1C(=O)CCC2 613344699 NBDOROSBPMXQCG-CYBMUJFWSA-N 445.327 6.027 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2cccs2)n1)c1nc2cc(C(F)(F)F)ccc2s1 613404945 QXOMWACWKAVIKX-JTQLQIEISA-N 435.477 5.990 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)Nc3cccc(-c4cccs4)c3)cn2)cc1 615080185 IURRMWZOSUEYQU-UHFFFAOYSA-N 440.484 5.051 30 20 IKED C=CCn1c(SCC(=O)N(C)c2cc(C)cc(C)c2)nnc1-c1ccc(Cl)cc1 615089723 FLZPTICYWKNPBM-UHFFFAOYSA-N 426.973 5.156 30 20 IKED O=C([C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618301513 RFYIEXWBFWYTKL-IGQOVBAYSA-N 433.314 5.398 30 20 IKED CC(C)CN(Cc1ccccc1F)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 622093131 ZIBVCWUOBXWKOO-GJZGRUSLSA-N 442.419 5.903 30 20 IKED C=CCc1cc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc(OC)c1OC 644637082 VKAVLXZDMYNRJL-UHFFFAOYSA-N 431.492 5.329 30 20 IKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H]1CCC[C@H](C(F)(F)F)C1 667481878 KKJSENJNECJXJN-CABZTGNLSA-N 437.302 5.340 30 20 IKED O=C(Nc1ccc2nc(C(F)F)sc2c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 672818629 FSNOSCATJAOLGH-HTQZYQBOSA-N 447.351 5.829 30 20 IKED Cc1cccc([C@@H](NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C(F)(F)F)c1 681490427 WOAYGIOVGUDWBM-FRRDWIJNSA-N 436.318 5.371 30 20 IKED CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNc1ccc(OCC(F)(F)F)cc1 727262167 MMLZTUBEUOSVNB-UHFFFAOYSA-N 436.865 6.036 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)CCCc2nc(-c3ccc(F)cc3)no2)c1 728182055 SOAWLFZLRWFUSR-UHFFFAOYSA-N 445.519 5.475 30 20 IKED C[C@H](CC#N)N(C)C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 728873893 BQDVFRNXYIQKGT-OAHLLOKOSA-N 440.619 5.330 30 20 IKED CCOc1c(OC)cc(/C=C/C(=O)c2c[nH]c3cc(Br)ccc23)cc1OC 729936687 GBKWZYSXSLTELC-VMPITWQZSA-N 430.298 5.242 30 20 IKED Cc1nc(CCC(=O)OCc2ccc(F)cc2C#N)oc1-c1ccc(Br)cc1 730371814 SKAVGVOXBLDHHW-UHFFFAOYSA-N 443.272 5.099 30 20 IKED O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)Nc1ccc(C(F)(F)C(F)(F)F)cc1 730899535 FGLIHIZWYVYKLS-AWEZNQCLSA-N 442.306 5.215 30 20 IKED Cc1ccc(CCC(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1Cl 731070074 FZHPPHCSESLMTQ-OAHLLOKOSA-N 430.957 5.015 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 732537803 AZGQBYMHEWPURH-IZZNHLLZSA-N 447.538 5.505 30 20 IKED COc1cc(/C=C\C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2C)cc(OC)c1O 743055345 CIINJORGVZVWNJ-DAXSKMNVSA-N 433.291 5.106 30 20 IKED C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1nc(-c2ccc(Cl)cc2)no1 743147119 PIYYOLZTWZIYAU-KGLIPLIRSA-N 441.944 5.667 30 20 IKED CCCCc1oc2ccccc2c1/C=C\C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1 744510973 RLTIOSZCUKRBPZ-YPKPFQOOSA-N 427.460 5.454 30 20 IKED CC(=O)c1cccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 747022458 YXABAWHQNXOGEX-HXUWFJFHSA-N 438.936 5.702 30 20 IKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748619809 UNZZADAWNMPQAF-HXUWFJFHSA-N 430.420 5.028 30 20 IKED COc1cccc(Nc2nn(CN3CCC[C@@H]3[C@H](C#N)c3ccccc3)c(=S)s2)c1 751933416 VDQPIKGZEBQQGF-WOJBJXKFSA-N 437.594 5.156 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1noc(Cc2ccccc2)n1 752638171 XHCXLWQUFPROEO-MBSDFSHPSA-N 437.503 5.199 30 20 IKED CC[C@H](Cc1ccccc1Br)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 757876555 XQVCHYYCYZDFDZ-UKRRQHHQSA-N 446.295 5.639 30 20 IKED C=CCn1c(-c2ccccn2)nn(CNC(C)(C)c2ccc(Cl)c(Cl)c2)c1=S 764945669 JOLVQEOVJRSUAV-UHFFFAOYSA-N 434.396 5.451 30 20 IKED N#C[C@@H](C(=O)Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(Cl)ccc2s1 766263226 OZVWGIARBQTLJR-AWEZNQCLSA-N 444.741 5.612 30 20 IKED Cc1cc(Br)cc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 766841884 OKOHDAWMPSULPC-OAHLLOKOSA-N 426.097 5.026 30 20 IKED C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1cccc(OCc2ccccc2)c1 777116172 DEBYIGBKAHDZEZ-FQEVSTJZSA-N 427.548 5.271 30 20 IKED CN(c1ccccc1)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1 779196414 CGFKFJZMWZDXOR-KRWDZBQOSA-N 439.302 5.117 30 20 IKED CC(C)(C)OC(=O)NC(C)(C)c1noc(CSc2ccc(C#N)c(C(F)(F)F)c2)n1 779462448 MVIWCOQTUUMRKE-UHFFFAOYSA-N 442.463 5.012 30 20 IKED COc1ccc(C(=O)CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(Cl)c1 779877359 MOHZZRVNHOBUBJ-QFIPXVFZSA-N 432.907 5.606 30 20 IKED Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)[C@@H](O)c1ccc(C#N)cc1 780952231 YVXZFIPMIPSGCR-DEOSSOPVSA-N 442.494 5.276 30 20 IKED N#C[C@@H](C(=O)CC1CCC(C(F)(F)F)CC1)c1nc2cc(C(F)(F)F)ccc2s1 783359983 XUQBFSPIUKOWAH-XIVSLSHWSA-N 434.405 6.250 30 20 IKED C(=NOCc1ncccn1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 790486805 OOYVFUNERUEFEI-UHFFFAOYSA-N 425.488 5.185 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 790768779 OLMJBXPIWZULEG-GOSISDBHSA-N 448.548 5.361 30 20 IKED C=CC[C@@]1(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CCCN1C(=O)OC(C)(C)C 792534926 FRIWXSBNZKAJLY-SBUREZEXSA-N 429.586 5.223 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cc(F)c(Br)cc2Cl)c1 799233140 CBFSLUOFTBEOQH-LBPRGKRZSA-N 440.700 5.244 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CC=C(c4ccc(Cl)nc4)CC3)cc2)ccn1 810281650 QQEUJUWDUFUSAP-UHFFFAOYSA-N 431.883 5.115 30 20 IKED N#C[C@H](C(=O)[C@H]1CCN(c2ccccc2F)C1)c1nc(-c2ccc(Cl)cc2)cs1 810533477 ZOFSDTVYRNUECR-DOTOQJQBSA-N 425.916 5.305 30 20 IKED CC(=NNc1ncnc2scc(-c3ccc(F)cc3)c12)c1cccc(N2CCOCC2)c1 812442993 HJAXLPLRPXLPCL-UHFFFAOYSA-N 447.539 5.170 30 20 IKED N#C[C@H](C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103112 OUZILKGLYIPSCH-MLGOLLRUSA-N 448.375 5.084 30 20 IKED Cc1noc(CSc2ccccc2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)n1 915179142 AHZHFVFWBZRMTC-JOCHJYFZSA-N 440.528 5.578 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915352324 JWTXEWCCAHTNHT-VWLOTQADSA-N 435.531 5.466 30 20 IKED C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 916057930 YYIYBYIRXXAUDK-QFIPXVFZSA-N 427.891 5.061 30 20 IKED N#C[C@@H](C(=O)COc1c(Cl)cccc1Cl)C(=O)Nc1cc(Cl)cc(Cl)c1 916944811 NTJACOGCXDEQKX-LBPRGKRZSA-N 432.090 5.027 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(Cc3ccccc3)nc2C)cc1 916947964 CPCKCPTXDHEBSF-IIBYNOLFSA-N 431.561 5.517 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3cccc(C(F)(F)F)c3)n2)cc1 916971969 HFOLJCPRPYAJFW-KRWDZBQOSA-N 432.492 6.106 30 20 IKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)CC4CCCC4)CCC3)cc2)cc1 1785796321 XFWBHHYCRUHMST-UHFFFAOYSA-N 429.564 5.205 30 20 IKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(C)(C)C)oc3C)CCC2)cc1 1786370550 DTEIBILLZQZBQP-GOSISDBHSA-N 438.568 5.224 30 20 IKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4c(Cl)cccc4Cl)CCC3)cc2)CC1 1787882535 XJKUCOAYYKRFRW-UHFFFAOYSA-N 428.319 5.045 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4cc(C)[nH]c34)cc2)CCC1 1789019755 VEGVEMPMFLSNFW-SFHVURJKSA-N 446.551 5.025 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CC=CCC4)CCC3)cc2)c1 1792124766 HJHDOEVTWZDIOG-PMACEKPBSA-N 427.548 5.418 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)[C@@H]1c1cccnc1 1812898101 FOLLDGFJJBWDJU-YENTXNKWSA-N 437.628 5.072 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3nc(C)ccc3o2)CC1 1828824604 MAGCUMZNMVFHMW-GMAHTHKFSA-N 449.595 5.138 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 1831290523 HZGXGDNBGWYAND-XXBNENTESA-N 443.031 5.204 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccc(Cl)cc1 16862774 BENTVCLWDPXAEW-LBPRGKRZSA-N 434.899 5.182 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nn(-c3ccccc3)c(=S)s2)c1 20852090 WPLDAHVWGZQUID-UHFFFAOYSA-N 440.619 5.319 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1csc(-c2ccccc2Cl)n1 62887984 BZJLORYVHNKGLA-UHFFFAOYSA-N 427.913 5.129 30 20 IKED CNC(=O)c1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1Cl 64299951 VIBGXLHTADOQOY-UHFFFAOYSA-N 435.936 5.116 30 20 IKED CN(CCOc1ccc(Cl)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 71944548 RRXJYFHNBDBWTP-UHFFFAOYSA-N 449.938 5.528 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1OC 115345884 UYYRLROIUZTYNY-GOSISDBHSA-N 430.504 5.003 30 20 IKED C=CCn1c(=S)sc2c(=O)n(CCCCOc3cccc(C(F)(F)F)c3)cnc21 303945699 YAXHIJPLUQTOPO-UHFFFAOYSA-N 441.500 5.053 30 20 IKED N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(-c4csc(C(F)(F)F)n4)cc3)n2)c1 410016163 QXLWLMAIUKFSGM-UHFFFAOYSA-N 439.422 5.139 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(OC)c(Cl)c2)nnc1-c1ccccc1OC 428072606 UNVWNDUHSNGPMR-AWEZNQCLSA-N 443.956 5.165 30 20 IKED CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2cccc(SCC#N)c2)c1 429843922 WVHWDXYGZDESHT-LJQANCHMSA-N 443.572 5.664 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4ncc(C(C)(C)C)s4)cc3)o2)c1 430604208 PPTWVJHFESQQDP-LJQANCHMSA-N 442.544 5.956 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 431220007 ZHEDELNLRJKTLR-KBPBESRZSA-N 441.944 5.667 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 432862802 AQAUNZAVGNIQFF-INIZCTEOSA-N 425.529 5.347 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@H](CCCC#N)c2ccccc2)n(-c2cccc(F)c2)c1C 433019400 NPYNTJAGTPUNGW-XMMPIXPASA-N 443.526 5.068 30 20 IKED CCCN(Cc1ccccc1Br)Cc1cn(CCC#N)nc1-c1ccncc1 435137010 ARBBNLBDFLOFIX-UHFFFAOYSA-N 438.373 5.033 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1nc2ccccc2n1-c1ccccc1 436327777 SZNHOQWGJOCTQE-UKILVPOCSA-N 434.543 5.256 30 20 IKED Cc1nc(C(C)(C)NC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)no1 438544584 JHOXWHRHVFYPGJ-UHFFFAOYSA-N 445.401 5.118 30 20 IKED CCCc1c(N[C@H](C)c2ccc(OCc3nccn3C)cc2)cnn1-c1cccc(C#N)c1 439056547 LOFZPTRMTJSZOU-LJQANCHMSA-N 440.551 5.182 30 20 IKED CC(C)n1c(SCC(=O)c2cccc(C#N)c2)nnc1-c1ccc(Cl)cc1Cl 439064002 JMQWSNJRWCLHPL-UHFFFAOYSA-N 431.348 5.679 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 439344723 FQEGTKSSTNKSCC-UHFFFAOYSA-N 445.450 5.022 30 20 IKED N#Cc1ccc(CN(Cc2ncc(-c3ccccc3F)o2)c2ccc3nc(O)[nH]c3c2)cc1 440731162 JQZGCZISRGCGGL-UHFFFAOYSA-N 439.450 5.141 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 441273401 XGHFBQYMCGQAHZ-HNNXBMFYSA-N 441.528 5.119 30 20 IKED CCCc1c(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)nnn1-c1cccc(C(C)C)c1 442619335 UFVJIOKKINBEHE-GOSISDBHSA-N 441.457 5.247 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl 442755106 RPDVVKHLLFJAOY-CYBMUJFWSA-N 430.360 6.493 30 20 IKED CCS(=O)(=O)c1ccccc1Oc1ccc(NCc2cn3ccccc3c2C#N)cc1 446637479 JXYZDRNYSVPMNQ-UHFFFAOYSA-N 431.517 5.009 30 20 IKED C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H]1c1ccc(Br)c(F)c1 460394709 OSSUCEBWEUTQHS-LJQANCHMSA-N 442.336 5.159 30 20 IKED COc1cccc(O[C@H](C)CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 461377055 IEIAYZIKPSWUIM-GOSISDBHSA-N 432.545 5.056 30 20 IKED C[C@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nc(C2CCCCC2)no1 464700583 QWNJMKWKGLIRTJ-KRWDZBQOSA-N 430.508 5.059 30 20 IKED CCSc1cccc(Br)c1NC(=O)CCCOc1ccc(C#N)cc1OC 464712539 PAJMMIZIJKGWEI-UHFFFAOYSA-N 449.370 5.239 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC(C)(C)c1nc(C(F)(F)F)cs1 467704563 LALLOBTYBNEZJG-LLVKDONJSA-N 428.505 5.613 30 20 IKED Cc1cc2sc(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)c(C)c2cc1C 469824608 JHIHIBHBWOXJIQ-UHFFFAOYSA-N 431.561 5.662 30 20 IKED Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 470269038 RVEZYACEIDCGOI-UIOOFZCWSA-N 426.516 5.504 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1 476794205 SKHBHXQZQAXIKZ-RUZDIDTESA-N 430.504 5.395 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCc3csc(-c4ccco4)n3)cc2F)c1 478659223 OYWHIKGCXGDELP-UHFFFAOYSA-N 448.479 5.315 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(OCc2ccccc2)cc1 478837609 RWFKGSPYORDSOH-UHFFFAOYSA-N 432.568 5.331 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ncc(C4CCCCC4)s3)CC2)c(F)c1 480322592 YHTJBZXRFISJKU-UHFFFAOYSA-N 428.533 5.277 30 20 IKED CN(CC(F)(F)F)C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 480655966 YKMHMALDJZVQBG-YQHILTGPSA-N 425.335 5.129 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc(-c2ccccc2C)nc1C 481401617 IRUYGAKJVQXPCG-UHFFFAOYSA-N 440.528 6.047 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 482385357 YKVXRYOXQBZGIC-GOSISDBHSA-N 441.400 5.383 30 20 IKED CCN(CC)C(=O)Cc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 482724629 MRZNQQBCGOFPMV-UHFFFAOYSA-N 427.504 5.014 30 20 IKED N#C[C@@H](C(=O)c1oc2ccccc2c1CSc1cccs1)c1cnc2ccccc2n1 483238450 CZHMJCXLENOOBD-MRXNPFEDSA-N 441.537 6.220 30 20 IKED CCOC(=O)c1csc(N(C(=O)C[C@H](CC#N)c2ccccc2)c2ccc(OC)cc2)n1 483587215 BQDRAYPDLMLDQZ-SFHVURJKSA-N 449.532 5.081 30 20 IKED C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 488021915 FMPWNQAGJZNANN-AVRWGWEMSA-N 441.506 5.134 30 20 IKED CCc1sc(=O)n(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1-c1ccccc1 498877679 VLBLOADCSNEPDP-INIZCTEOSA-N 437.590 5.172 30 20 IKED N#Cc1c(NC(=O)Cc2coc(-c3ccc(F)cc3)n2)sc2c1-c1ccccc1CC2 499453817 HXRNLSUCGXBTPF-UHFFFAOYSA-N 429.476 5.361 30 20 IKED N#CCc1ccc(NC(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)cc1 499743308 ZDCFISOYSMSGBS-NRFANRHFSA-N 439.284 5.413 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 500913779 CPTFOGMMFFBARA-IBGZPJMESA-N 426.458 5.385 30 20 IKED C[C@@H]1CCCCN1CCCCNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 502862708 UOJGTXVAQIEYIH-OAQYLSRUSA-N 434.584 5.108 30 20 IKED CC1(C(=O)Nc2nc(-c3cccs3)ns2)CCN(c2ccc(Cl)cc2C#N)CC1 504024959 PVCDTJPTTZXZFW-UHFFFAOYSA-N 443.985 5.037 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](c3ccccc3F)C2)cc1Cl 504041083 ZKPUAMUKIRQBRS-AVRDEDQJSA-N 433.914 6.156 30 20 IKED N#CCCCS(=O)(=O)c1ccc(C(=O)NC2(c3ccc(Cl)cc3)CCCCC2)cc1 505167530 JGZIOXNXHXZUNF-UHFFFAOYSA-N 444.984 5.007 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F 506840538 CTDRNHNLCIJOBB-UHFFFAOYSA-N 425.838 5.595 30 20 IKED CCN(C(=O)Nc1ccc(CC#N)cc1)[C@@H]1CCSc2ccc(Br)cc21 510019436 FWXPEKTYYKTDEL-GOSISDBHSA-N 430.371 5.606 30 20 IKED C=CCN(Cc1ccccc1)C(=O)Nc1cc(OCC)c(OCC)cc1Br 510986607 SVTYRHOCPGSKOG-UHFFFAOYSA-N 433.346 5.467 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1ccc(C(F)(F)F)cn1 513202991 WDBJPRRJZBWXQQ-CQSZACIVSA-N 430.407 5.090 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cnn1-c1ccc(Br)cc1 513656075 XIZAZVBCDBXPLX-OAHLLOKOSA-N 437.322 5.043 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 515685501 FUBCGMXAFJNFRV-UHFFFAOYSA-N 449.988 6.169 30 20 IKED C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 518860761 JIUCTAFNOLZBNU-JOCHJYFZSA-N 433.577 5.594 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](CCC(C)C)c3ccc(Cl)cc3)CC2)o1 521277322 QIGXEVXUBHSGNK-HXUWFJFHSA-N 428.964 5.018 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2ccccc2Cn2cccn2)c1 522571138 WPWDBZMOBSSPIK-UHFFFAOYSA-N 442.906 5.179 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)N[C@@H](Cc3ccccc3)c3cccs3)CC2)cc1 526982968 YSYYYIWZSVEZIU-QHCPKHFHSA-N 431.561 5.157 30 20 IKED C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCCN(Cc2ccc(C#N)cc2)CC1 532901217 DOPVILTVCIUCSM-JOCHJYFZSA-N 438.575 5.079 30 20 IKED C=C[C@H](CC(=O)N1CCC[C@H](N(C)C(=O)C[C@@H](C=C)c2ccccc2)CC1)c1ccccc1 536232749 MJIJXWSOSZXDTD-OASJLCFRSA-N 444.619 5.546 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCCC3(C#N)CCOCC3)n2)o1 537506249 IOXRVBGDLCVZIF-UHFFFAOYSA-N 435.471 5.733 30 20 IKED COc1cccc(C2=CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)c1 542946444 NGKKTUNXXDUBOI-UHFFFAOYSA-N 439.515 5.271 30 20 IKED C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 549270524 CPCJQTRDZMJNAZ-LJQANCHMSA-N 442.498 5.057 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)NC(=O)CS2 553338741 LMQDKIPDMMONBL-UHFFFAOYSA-N 437.468 5.008 30 20 IKED COc1cc2c(cc1F)CN(C(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)CC2 554355519 UNNPUXZCBOODOZ-UHFFFAOYSA-N 445.494 5.070 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1 558807190 QBWPUNUDAWKYLM-HXUWFJFHSA-N 440.543 6.027 30 20 IKED C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1cccs1 559165762 YVGAHCMBZAXBEE-QGZVFWFLSA-N 447.539 5.175 30 20 IKED CCc1ccc([C@@H](C#N)NC(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)cc1 565270053 NBEFHZUVYFUNNO-HSZRJFAPSA-N 443.572 5.283 30 20 IKED COc1ccc(-c2nnc(SCc3ccc(C#N)cn3)n2C2CCCCC2)cc1OC 568347116 VBOPRKPCMGODJE-UHFFFAOYSA-N 435.553 5.026 30 20 IKED CCOc1ccc(N(C(=O)Cc2c(F)cccc2C#N)c2nc3ccccc3s2)cc1 572753579 VUVBSAJTMPJTND-UHFFFAOYSA-N 431.492 5.613 30 20 IKED C[C@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)N[C@@H](C)c1cc2ccccc2o1 576038505 XUEQMIVHOQITGK-IRXDYDNUSA-N 426.476 5.170 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)c1ccc2ccccc2c1 583708418 XBASPKPZEYCPJP-UHFFFAOYSA-N 428.513 5.400 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)c1 589739980 GNRJOJDLDJGGMS-FQEVSTJZSA-N 431.330 5.009 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c(OC)c1 603690961 VWIYKILPARNYIT-JOCHJYFZSA-N 444.491 5.132 30 20 IKED CCOc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 603691793 DADHWVQSSFDCQR-QHCPKHFHSA-N 428.492 5.513 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccccc2N2CCCC2)cc1 604562218 VDUKADZEOJOVNN-UHFFFAOYSA-N 442.519 5.281 30 20 IKED Cn1ccnc1Sc1ncc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1Cl 609009414 UARRVMGVIYWZIO-UHFFFAOYSA-N 443.985 5.074 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3cc(C#N)ccc3OC(F)F)c3c(C)noc3n2)c(C)o1 609066394 IJQJNVJJRQOUPH-UHFFFAOYSA-N 438.390 5.133 30 20 IKED COc1ccc(CCC(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cc1Br 609286910 NDWJBEYECSYIOF-OAHLLOKOSA-N 442.140 5.078 30 20 IKED COc1cccc([C@H](CNC(=O)Nc2ccccc2S[C@H](C)CC#N)N2CCCC2)c1 609438152 DDAXVMDCJJIRCB-GCJKJVERSA-N 438.597 5.048 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NCC3(c4ccccc4)CCOCC3)cc2)cc1 609500466 KSEMFMACLVINJW-UHFFFAOYSA-N 426.516 5.023 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cccc(CN3CCCC3=O)c2)c1 609723222 VKEMGZQDUYDMNZ-UHFFFAOYSA-N 445.906 5.379 30 20 IKED CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1 609989345 TWMJBMMEVNQISS-UHFFFAOYSA-N 447.560 5.267 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)N(C)Cc1ccc(C#N)cc1 610019454 BXORJWMGDPBMKM-UHFFFAOYSA-N 427.483 5.223 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCOc2cccc(Cl)c2Cl)c1C 610053752 MJBLBTQJTHVVJZ-UHFFFAOYSA-N 429.307 5.075 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H]3C[C@H]3c3c(F)cccc3Cl)c2)c1 610142088 UIABIOMREOXPSX-WIYYLYMNSA-N 448.885 5.281 30 20 IKED Cc1ccc2nc(COc3cccc(C(=O)[C@H](C#N)c4ccc5ccccc5n4)c3)cn2c1 613290793 LPWVKBGFXUMDJK-HSZRJFAPSA-N 432.483 5.260 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)NCc1ccc(C#N)c(Cl)c1 619757254 IQSKOJMNRZVWNI-CYBMUJFWSA-N 428.920 5.343 30 20 IKED N#C[C@H](C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)c1cc(C(F)(F)F)ccn1 643778391 HPZQOUUCZIHNLM-ZDUSSCGKSA-N 441.356 5.733 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1c(F)cccc1Br 674076533 QVSGQXOQLLHRBM-YUMQZZPRSA-N 436.165 5.228 30 20 IKED O=C(Nc1ccc2c(cnn2C(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 676599540 MHCGTQNBHXICRV-UWVGGRQHSA-N 430.299 5.026 30 20 IKED C=CCC[C@H](NC(=O)[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(C(F)(F)F)cc1 676730761 JZWSMWYHVROWKH-QRWLVFNGSA-N 439.499 5.036 30 20 IKED N#CCOc1cccc(/C=C2\SC(=S)N(CCc3ccc(Cl)cc3Cl)C2=O)c1 726627259 POANDFRRPHKQRC-WQRHYEAKSA-N 449.384 5.340 30 20 IKED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(N2CCC(OC)CC2)c(C(F)(F)F)c1 728123933 KXCPQHYKIZVCEE-UHFFFAOYSA-N 447.501 5.541 30 20 IKED Cc1ccc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)c(OCC(F)(F)F)c1 728269137 APQYWXMAARDHKF-UHFFFAOYSA-N 427.426 5.468 30 20 IKED N#C[C@H](C(=O)Cc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1Oc1ccccc1 729890035 WOLWGEBYVTUQLX-GOSISDBHSA-N 438.405 5.388 30 20 IKED COc1ccc(/C=C\C(=O)c2c[nH]c3cc(Br)ccc23)cc1OCCCC#N 729937544 VRCMVFRYNVXTRR-YWEYNIOJSA-N 439.309 5.518 30 20 IKED C=C(C)CN1CCC(NC(=O)c2oc3ccccc3c2CSc2nc(C)cs2)CC1 729974875 CXKMNBVEEQTRRT-UHFFFAOYSA-N 441.622 5.260 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 731078550 QCCMBHZDODRAKP-WTNAPCKOSA-N 444.556 5.377 30 20 IKED CC1=C(C(=O)OC(C)C)[C@H](c2ccc(O[C@H](C)C#N)cc2)NC(=O)N1c1ccc(C)cc1C 731431483 MOPZSUJVAKQKQL-KOSHJBKYSA-N 447.535 5.091 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccc(Oc2cccc(Br)c2)cc1 732900508 QJBCPYDNTWXOJT-HXUWFJFHSA-N 435.277 5.203 30 20 IKED N#CCOc1ccc(COC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)cc1 733435134 FCVOLWHVRBRBMO-UHFFFAOYSA-N 441.409 5.028 30 20 IKED C#CCN(C(=O)Nc1ccc(OCC)cc1C)[C@@H]1CCOc2ccc(Br)cc21 733624444 FZXVUJKFHHMXMP-HXUWFJFHSA-N 443.341 5.147 30 20 IKED C#CCN(C(=O)Nc1cc(F)ccc1Cl)[C@@H]1CCOc2ccc(Br)cc21 733630168 QDECTOTWFSQNBZ-QGZVFWFLSA-N 437.696 5.233 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)CSc2nccn2-c2ccc(C(C)C)cc2)c1 733787927 YRLWMYLPWMCIAW-QFIPXVFZSA-N 448.592 5.085 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)c1 733788056 GGFWJOKXEOFJBH-XMMPIXPASA-N 426.516 5.314 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)c1 734102313 YMXSJCWPHFOGPT-UHFFFAOYSA-N 445.862 5.198 30 20 IKED C=CCn1c(S)nnc1Cc1csc(NC(=O)C[C@H](C)c2ccc(C(C)C)cc2)n1 738509252 IZIVXNMMVKAJNY-HNNXBMFYSA-N 441.626 5.056 30 20 IKED COC(=O)[C@H](Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)c1ccc(C#N)cc1 739988873 FRFBZQYLQCIDJV-LJQANCHMSA-N 428.275 5.379 30 20 IKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740058783 BSGHTIDCVZRHCF-HNNXBMFYSA-N 432.574 5.799 30 20 IKED N#CC(CCOC(=O)c1cc(O)nc2cc(F)ccc12)(c1ccccc1)c1ccccc1 740261410 YTIBJCOJLDOKOE-UHFFFAOYSA-N 426.447 5.136 30 20 IKED O=C(/C=C/c1csc(COc2ccc(Cl)cc2)n1)c1cccc(-c2ccncc2)c1 741474181 VOUAFFCDEWEUIY-RMKNXTFCSA-N 432.932 6.334 30 20 IKED CC(C)(C)c1ncc(/C=C\C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)s1 742648876 FMORFLWFFIAYCY-VURMDHGXSA-N 439.528 6.117 30 20 IKED CCOCCOCc1cccc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)c1C 744797200 VDDPTNMIOSRPNN-UHFFFAOYSA-N 431.536 5.080 30 20 IKED C=CCSc1ccccc1NC(=O)COC(=O)[C@H](C)c1ccc(Br)s1 745641746 WRHKWNCPGYUDMV-GFCCVEGCSA-N 440.384 5.074 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cc(Br)ccc2F)cc1 748690485 DOXFQVUQGLXGTI-SFHVURJKSA-N 445.313 5.044 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(Oc3ccccc3)nc2)cc1 749419902 FLNPWKINNQYBDX-VWLOTQADSA-N 434.499 5.851 30 20 IKED C=CCC[C@@H](NC(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccc(C(F)(F)F)cc1 749818933 JCDOMYZIUJDRDJ-MGPUTAFESA-N 445.485 5.292 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC(OC[C@H]2CCCO2)CC1)c1ccc(C(F)(F)F)cc1 749869704 GJWDIKIAUUMYFR-NHCUHLMSSA-N 440.506 5.082 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@H]1c1ccc(-c2ccncc2)cc1F 752787074 WQQYCPHHVQGNTR-QFIPXVFZSA-N 437.927 5.060 30 20 IKED Cc1noc(C)c1CCCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 753882669 CUHNWFXBBRSYDF-UHFFFAOYSA-N 438.915 5.150 30 20 IKED CC(=O)N(c1nc(/C=C2/CCc3c(Cl)cccc3C2=O)cs1)c1ccc(F)cc1F 758041510 ZJLSYWQQULSVSF-LCYFTJDESA-N 444.890 5.972 30 20 IKED COc1ccccc1[C@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccccn1 759594163 GLGSYISUSRVTHU-VWLOTQADSA-N 440.455 5.080 30 20 IKED CCn1c(COc2ccc(C)cc2)nn(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)c1=S 765046341 BNJWMWALAKFPSB-PKTZIBPZSA-N 447.608 5.051 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(C)nc2Sc2ccccc2)ccc1OC 768044491 HJYIVWSQWMQQLT-LJQANCHMSA-N 447.560 5.161 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H]2CCCc3ccc(Br)cc32)ccc1OC 772980558 SRYVHEVNQLLDSZ-QUCCMNQESA-N 429.358 5.306 30 20 IKED C=C(C)[C@@H](NC(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccc(F)c(F)c1 773477589 ZZAITUIJBQZHNG-HXUWFJFHSA-N 449.542 5.015 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(C(F)(F)F)cc1Br 777053751 JQMRQURXYQGXEM-UHFFFAOYSA-N 438.203 5.284 30 20 IKED CCN(CC)[C@H](C(=O)[C@@H](C#N)c1ccc2ccccc2n1)c1cccc(C(F)(F)F)c1 780304062 ZSBRLJUSKCIZIG-UGKGYDQZSA-N 425.454 5.513 30 20 IKED CC(C)n1cc2c(n1)[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)CCC2 780411207 AZKVWILBNMHCFT-DEOSSOPVSA-N 443.551 5.308 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)O[C@H](Cc1ccc(F)cc1)C(F)(F)F 781757197 FKDGIHNTHQNPNA-MEBBXXQBSA-N 440.359 5.022 30 20 IKED C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)Nc2cccc(OCC#N)c2)cc1 785221588 IWBFMKRORAHGIR-KRWDZBQOSA-N 431.517 5.019 30 20 IKED N#C[C@@H](C(=O)NCc1cccc(Cl)c1)C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 786534817 MPMBRAVXJIYBPR-LJQANCHMSA-N 440.833 5.049 30 20 IKED C#CCn1ccc(CN(CC)C(=O)c2oc3ccccc3c2COc2ccccc2Cl)n1 788820990 NZAMIZJMBWXGBX-UHFFFAOYSA-N 447.922 5.157 30 20 IKED CCC[C@@H](CCCS(C)(=O)=O)C(=O)N1CCCSC1=Nc1ccccc1C(C)C 790622061 CVVAVILOSFCWFO-SFHVURJKSA-N 438.659 5.004 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cc(F)ccc3Br)n2)cc1 790766477 BIDWFWQWCYQJFY-MRXNPFEDSA-N 445.313 5.139 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ncccc1Oc1ccccc1 799562523 VPKJQKMQURDFBF-KRWDZBQOSA-N 447.516 5.064 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)c1coc(C2CCCCC2)n1)c1ccc(Cl)cc1Cl 802218797 KWDCTOQNGKEDPX-LRDDRELGSA-N 434.323 5.229 30 20 IKED N#Cc1cc(N[C@H](Cc2ccccc2Cl)c2cccs2)ccc1N1CCC(O)CC1 813862208 KGOYCPCZQLBGQM-JOCHJYFZSA-N 437.996 5.630 30 20 IKED Cc1nc(C)c2c(C)c(C=Nn3c(S)nnc3-c3cc(Cl)ccc3Cl)sc2n1 874077000 MNMZOASLERPNSL-UHFFFAOYSA-N 449.392 5.353 30 20 IKED CCOc1cc(/C=C/C(=O)c2cc3cc(Cl)ccc3o2)ccc1O[C@H](C)C(=O)N(C)C 916129944 CPCKWOFPHGBHPC-RZIFZGNASA-N 441.911 5.237 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(COCCOc2ccccc2)c1 916496754 QENJGEALEAMOGF-UHFFFAOYSA-N 441.487 5.098 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(OC)cc3)n2)cc1 916951164 XNAOAALYVQEODY-MGPUTAFESA-N 433.533 5.293 30 20 IKED Cc1cccc(-c2nc(CC(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cs2)c1 920140500 HMVWFSQNLXYACK-FQEVSTJZSA-N 440.553 5.533 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ncccc4[nH]3)CCC2)cc1 1785843418 YSDOOLKSEQBAJQ-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)cc2)CCC1 1786207439 MSJOMRYINWYYBS-ZOXUKVPXSA-N 449.507 5.104 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccccc4O)cc3)CCC2)c1 1787199183 BFUKXZHNDPCGAL-GOSISDBHSA-N 439.515 5.081 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCc3c(C)noc3C)CCC2)cc1 1789624269 RGMYTFNQPRRLPX-UHFFFAOYSA-N 437.584 5.351 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1811901291 FPVSGWDBTGVVKI-UNMCSNQZSA-N 439.987 5.047 30 20 IKED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2-c2ccc(C)cc2)n[nH]1 1821225488 FYOJUXVZYFWDTC-XMMPIXPASA-N 440.547 5.104 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)CC1 1828400089 DGLYSULMCNZLBV-IMNFJDCFSA-N 443.031 5.275 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4sccc4s3)CC2)C1 1828546394 DATCMHHVOFAWIK-SFHVURJKSA-N 428.623 5.162 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@]2(F)CCCC=C2F)CC1 1828830347 UHWWUYDQXCBSDY-CZSZKKDXSA-N 434.571 5.120 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cnc(C)s2)CC1 1829069817 AOHIIMPZHFNCQL-CZQLGGELSA-N 443.657 5.077 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cnc2Cl)CC1 1829195625 GDXPAVQNBRYBFW-FQEVSTJZSA-N 449.998 5.100 30 20 IKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2ccccc2Cl)n1C1CCCC1 8988951 ZPTFSQBSSAWHAU-NYHFZMIOSA-N 446.020 5.249 30 20 IKED C=CCn1c(SCC(=O)c2ccc(O)cc2)nc2scc(-c3cccs3)c2c1=O 16986922 DWVFEQCWJKHJMK-UHFFFAOYSA-N 440.571 5.053 30 20 IKED Cc1nc(SCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)c(C#N)c(C)c1C 19142799 UFDQPOXASATOQI-OAQYLSRUSA-N 425.554 5.077 30 20 IKED N#CCCn1cc(C(=O)CSc2nnc(NC3CCCCC3)s2)c2ccccc21 57533061 UFDVWHQLSBMESP-UHFFFAOYSA-N 425.583 5.126 30 20 IKED Cc1nc(-c2cccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)c2)no1 64330375 PDZKJWCYIYXFDR-UHFFFAOYSA-N 426.501 5.461 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3ccccn3)n2)cc1Cl 107647473 ZXLFKIGLSBRCIC-HXUWFJFHSA-N 444.947 5.695 30 20 IKED N#Cc1c(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)sc2c1CCCC2 116870282 NDKVRUSIXMPKOY-QGZVFWFLSA-N 448.375 5.049 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 303267323 GMSYVJJASZQTKM-QGZVFWFLSA-N 428.517 5.636 30 20 IKED N#Cc1ccc(-c2nnc(CSc3nccn3-c3ccc(C(F)(F)F)cc3)o2)cc1 303890499 KEXJBQGVIJPQQK-UHFFFAOYSA-N 427.411 5.105 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCOC4(CCCC4)C3)cc2Cl)cc1 426081593 WTARJTSDZRWFNU-GOSISDBHSA-N 425.916 5.617 30 20 IKED N#C[C@@H](C(=O)c1cccc(OCC(F)(F)F)c1)c1nc(-c2c(F)cccc2F)cs1 432160531 DOJFETFVXRHHEW-ZDUSSCGKSA-N 438.377 5.519 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1)c1ccccc1 435105408 KQTVFBWKIGBVMT-OAQYLSRUSA-N 430.470 5.416 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H](c1cccnc1)C(C)C 435134741 YZKVDJYYHZGPQG-XMMPIXPASA-N 428.536 5.402 30 20 IKED N#Cc1cscc1C(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2O)c(Cl)c1 436535888 LKHSACQYWNOJJD-UHFFFAOYSA-N 432.288 5.137 30 20 IKED CC[C@H](C)Oc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 437252791 GHKQNOGEFVFBQT-KRWDZBQOSA-N 429.476 5.105 30 20 IKED CC(C)(CO)[C@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccccc1 437754192 ASTORXJZKZYYLJ-XMMPIXPASA-N 429.520 5.274 30 20 IKED C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 439365175 MEZFXWXZEOGCPU-LJQANCHMSA-N 441.535 5.093 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 442933939 OJXPDTVAPCFBRI-DHIUTWEWSA-N 444.556 5.644 30 20 IKED Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)CCCCOc2cccc(C#N)c2)n1 448456577 KQFWAFLEVRWURZ-UHFFFAOYSA-N 444.413 5.123 30 20 IKED C[C@H](c1cccs1)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cccs1 461475573 ADUBKBUTXCPQMW-MRXNPFEDSA-N 435.578 5.097 30 20 IKED C[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)c1ccc(Br)s1 463479435 SFQDPERVIACPIP-AWEZNQCLSA-N 441.350 5.703 30 20 IKED N#Cc1cc(NC(=O)Cc2cn3ccsc3n2)ccc1Oc1ccc(C(F)(F)F)cc1 464284439 RCRGNYOUICMRHS-UHFFFAOYSA-N 442.422 5.260 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)cc1 464793715 KHXMNNXSAGRWDR-UHFFFAOYSA-N 431.439 5.407 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cccc(NC(=O)N(C)C)c1 466055299 MZTBGEMOIKYECG-UHFFFAOYSA-N 443.507 5.074 30 20 IKED COC(=O)[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 466241529 QKWLJMBLEJXGIO-YADHBBJMSA-N 447.922 5.074 30 20 IKED C[C@@H](C#N)CSc1ccccc1NCc1nnc(-c2ccccc2Br)o1 471641591 FLAGFFPGNRMRTA-ZDUSSCGKSA-N 429.343 5.363 30 20 IKED N#Cc1ccc(CN(C(=O)C(=O)Nc2cc(-c3ccccc3)ccc2Cl)C2CC2)cc1 472689491 AVJVKUYEDBBRKF-UHFFFAOYSA-N 429.907 5.008 30 20 IKED C[C@H](NC(=O)N[C@@H](C)c1ccc(Br)cn1)c1ccc(-c2cccc(C#N)c2)cc1 474661254 NPJPFVDAVMDEKI-HOTGVXAUSA-N 449.352 5.504 30 20 IKED C=CCc1cc(CNC(=O)Nc2cccc(COC(C)(C)C)c2C)cc(OC)c1OC 475953553 DIVNKJPTQKAVKB-UHFFFAOYSA-N 426.557 5.378 30 20 IKED CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2sc3ccc(C#N)cc3c2C)cc1 476678200 RULUUMYQPRUGRJ-MRXNPFEDSA-N 434.565 5.446 30 20 IKED C=C(C)[C@@H](NC(=O)c1cc(O)nc2c(Br)cccc12)c1ccc(F)c(F)c1 478912073 PBBZQAVQADCVPM-GOSISDBHSA-N 433.252 5.028 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1ccc(Cl)c(C(F)(F)F)c1 479884876 HIYRXPQARPZAJW-ZDUSSCGKSA-N 442.890 5.795 30 20 IKED C=C(C)[C@@H](NCc1csc(N(C(C)=O)c2ccc(C)cc2C)n1)c1ccc(F)c(F)c1 481576852 KKFFKTFWAOQSSE-HSZRJFAPSA-N 441.547 6.130 30 20 IKED C=C(C)Cn1c(SCC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)nnc1-c1ccco1 481765202 FPLVBXICTSCMQK-SFHVURJKSA-N 436.581 5.034 30 20 IKED Cc1ccc2nc(COc3ccccc3C(=O)[C@@H](C#N)c3nccc4ccccc34)cn2c1 483188357 AFUAUKNGSOLULB-QHCPKHFHSA-N 432.483 5.260 30 20 IKED N#Cc1ccc(SCC(=O)Nc2ncc(Cc3cccc(Br)c3)s2)cc1 483581590 DSSALFUTTVHFQP-UHFFFAOYSA-N 444.379 5.099 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc4cc(Br)ccc4[nH]3)s2)cc1 487291873 NILGQUHFBFAQOW-UHFFFAOYSA-N 437.322 5.102 30 20 IKED CCCOc1c(Cl)cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1OC 487385297 LBLXCLXWRBSTOL-UHFFFAOYSA-N 441.940 5.309 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)c1nc(-c2ccccc2C)no1 489684588 KBORYFQSBPRJIY-SFHVURJKSA-N 447.564 5.563 30 20 IKED N#Cc1ccc(Br)c(CS(=O)(=O)Cc2ccccc2Oc2ccccc2)c1 491581603 OCXWBYXJRSQWFD-UHFFFAOYSA-N 442.334 5.228 30 20 IKED N#Cc1cccc(OCCCCC(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)c1 493148603 FESBTFNGTFZIJV-UHFFFAOYSA-N 425.532 5.361 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(OC3CCCCC3)CC2)cc1 497454391 OFTNHBFCOSVBET-UHFFFAOYSA-N 434.605 5.804 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)N(Cc1cccs1)Cc1cccs1 503226363 QBGGYBQVGHMMAX-UHFFFAOYSA-N 429.570 5.839 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 507787135 NQQKBJDYEQTABW-UHFFFAOYSA-N 425.941 5.874 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2ccccc2F)C2CC2)cc1 508253564 STBTZMHVTJROSQ-UHFFFAOYSA-N 431.467 5.695 30 20 IKED Cn1ccnc1[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(F)cc1 510540743 WVRGGPPRHYSZDN-HSZRJFAPSA-N 441.466 5.134 30 20 IKED CC(C)(C(=O)Nc1nc2c(Cl)cccc2n1CC(F)(F)F)c1cc(F)cc(C#N)c1 511555748 RQFHFGJCXLCDLQ-UHFFFAOYSA-N 438.812 5.179 30 20 IKED N#C[C@H](C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cn1 513209310 AKRBUHDCHLICRG-LBPRGKRZSA-N 426.238 5.628 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccccc2NC(=O)N2CCCC2)c1 513549176 ZGEISPLFMNOINT-UHFFFAOYSA-N 440.503 5.017 30 20 IKED Cn1nccc1C1=CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 516918886 ZXXHILIQALIWLG-NRFANRHFSA-N 431.927 5.050 30 20 IKED CC(C)C(=O)Nc1ccc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 517128261 NQTCWKNYHIVJDZ-UHFFFAOYSA-N 428.492 5.267 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 517461178 BQYDCWRVAGUTRG-VGOFRKELSA-N 447.526 5.331 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 517468423 MOINOOWRGHJWIG-OPAMFIHVSA-N 439.556 5.064 30 20 IKED COc1ccc(C(=O)C2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)cc1 517474062 LTXKNJIMOIEKHY-QGZVFWFLSA-N 437.565 5.074 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(COc2ccccc2)c1 518166097 VCMPIWHWBNKZEQ-LJQANCHMSA-N 431.561 5.839 30 20 IKED COCCOc1ccccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 518502277 GUYSRKIIWCBPAT-INIZCTEOSA-N 447.343 5.632 30 20 IKED C=C1CCN(C(=O)c2cc(-c3ccc(OC)cc3)nc3c2c(C)nn3-c2ccccc2)CC1 518691707 QLUNVCBFJVHWRP-UHFFFAOYSA-N 438.531 5.197 30 20 IKED CCC(CC)CN(CCC#N)C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 519156434 KGCJVFBSUKNQIZ-UHFFFAOYSA-N 432.571 5.303 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CCSc3c(F)cccc32)cc1C 520470784 DUUSZHTTYVLBBH-OAQYLSRUSA-N 434.540 5.187 30 20 IKED Cc1ccc(OCc2ccc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)o2)c(C)c1 520564604 CKZDLKREKIQQRV-UHFFFAOYSA-N 430.504 5.031 30 20 IKED C=CCN(CC(F)(F)F)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 521185851 REYNEEXUPDVQMW-UHFFFAOYSA-N 444.793 5.240 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccc(C)cc2)cc1 521257652 JSYIWGJQTCIKCH-DFBJGRDBSA-N 445.588 6.167 30 20 IKED CC[C@H](C)n1c(SCC(=O)N(Cc2ccc(C#N)cc2)C(C)C)nnc1-c1ccccc1 522219751 YITGJTIVGCENEJ-IBGZPJMESA-N 447.608 5.317 30 20 IKED N#Cc1c[nH]ccc1=NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1Cl)CC2 522718282 NGFYMDAFUKECOS-GHRIWEEISA-N 436.902 5.316 30 20 IKED C=CCN(C(=O)c1coc(-c2ccccc2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 523102607 SPKAKFSIUPBYHD-UHFFFAOYSA-N 432.461 5.206 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 523909245 MOZKWCWPWAIADB-HNAYVOBHSA-N 432.014 6.056 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 524546915 VYCIMAKEZRWCTE-YTTGMZPUSA-N 436.536 5.785 30 20 IKED CCN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccccc1C(=O)OC 525146465 KKPKFIQAHJTXIN-UHFFFAOYSA-N 434.879 5.457 30 20 IKED C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 532226188 DGZZFCNCIQZAPO-KRWDZBQOSA-N 443.597 5.821 30 20 IKED COc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1-c1ccccn1 533652152 NEXMJRDEZVJPEM-UHFFFAOYSA-N 448.482 5.133 30 20 IKED CC(C)Cn1cc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(C(F)F)n1 534154059 CQKHVBQVFPBRJC-UHFFFAOYSA-N 425.439 5.785 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3Cn3cnc4ccccc43)cc2)c1 535968286 GMKMMXXZRTUHJV-OAQYLSRUSA-N 437.503 5.397 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccc(-c2ccc(F)cc2)cc1 536714302 JRFSAQPIRGLVSF-QGZVFWFLSA-N 447.535 5.314 30 20 IKED Cc1cc(N(CCC#N)C(=O)CN[C@H](CC(F)(F)F)c2ccc(F)cc2)ccc1Cl 538175678 PAYQRAJVXAMCBO-LJQANCHMSA-N 441.856 5.318 30 20 IKED N#CCCn1cc(CNc2cccc(NC(=O)C3CCCCC3)c2)c(-c2ccccc2)n1 538857301 HWRNLQAFCSBFRA-UHFFFAOYSA-N 427.552 5.595 30 20 IKED CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2Oc2ccccc2C#N)c1 539777449 YOBSDTGQLATKLQ-UHFFFAOYSA-N 433.895 5.394 30 20 IKED C[C@@H]1C[C@@H](C(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CCC1=O 542161414 ZZSMNJUSPOEBCE-ITMYJUKJSA-N 449.313 5.449 30 20 IKED CC[C@H](NCCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1ccc(Cl)s1 543488964 KGSXQYQBHWMGEX-SFHVURJKSA-N 444.988 5.402 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)c1nc(-c2ccc(C(F)(F)F)c(F)c2)no1 546411639 WSVJVZQAUUKRDT-MRVPVSSYSA-N 436.331 5.422 30 20 IKED N#Cc1ccc(NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)cc1C(F)(F)F 557817306 HFYBVMRWDFCDMO-UHFFFAOYSA-N 426.442 5.309 30 20 IKED C[C@H](NCc1cccc(OCCCC#N)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 559072228 YPSWSJYPNFBUGP-IBGZPJMESA-N 431.511 5.611 30 20 IKED CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(C#N)cc1OC 565928849 SZFTWLWFZPIHOI-UHFFFAOYSA-N 430.291 5.733 30 20 IKED N#Cc1ccc(Sc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)cc1[N+](=O)[O-] 570789749 MLMXQPXATVZGDQ-UHFFFAOYSA-N 431.452 5.064 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1 571687838 IVLRNHCLXKYMDU-HXUWFJFHSA-N 443.478 5.616 30 20 IKED Cc1c(NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cccc1OCC(F)(F)F 574362205 MOKXAMWHRIZUDF-UHFFFAOYSA-N 438.290 5.285 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1nc(-c2c(F)cccc2F)cs1 578552992 IHQKRCPENDBXRO-UHFFFAOYSA-N 427.863 5.285 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(Cc1ccc(F)cc1)CC1CC1 604640287 XEKPFVVIMAUMFD-HUUCEWRRSA-N 440.403 5.657 30 20 IKED C=CCc1cc(CNC(=O)NC(c2cccs2)c2cccs2)cc(OC)c1OC 606520732 RCSGGRIORRDJFV-UHFFFAOYSA-N 428.579 5.144 30 20 IKED C[C@@H]1c2c(F)cccc2CCN1C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 606641870 AWNOKBBVORKVJJ-WXHSDQCUSA-N 426.376 5.364 30 20 IKED CCN(CCC(F)(F)F)C(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 608764277 VGXKVJQVAYHTLZ-UHFFFAOYSA-N 447.301 5.324 30 20 IKED COc1ccc(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1[N+](=O)[O-] 609011042 UHKSPKFNPCCFSN-UHFFFAOYSA-N 437.839 5.102 30 20 IKED N#C[C@@H](NC(=O)c1cc(-c2ccccc2F)on1)c1ccc(OCc2ccccc2)cc1 609028233 PYAFBMVCTCIEGA-HSZRJFAPSA-N 427.435 5.054 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3cc(C#N)ccc3OC(C)C)c3c(C)noc3n2)c(C)s1 609166485 DSDQTWOJLZXWJU-UHFFFAOYSA-N 446.532 5.788 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccc(NC(=O)C2CC2)cc1 609297420 PCEAAUIJCNGAHP-INIZCTEOSA-N 443.478 5.329 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)[C@@H](c3ccccc3)N3CCCCC3=O)c2)cc1 609421497 BZWRYIIWEDXABK-RUZDIDTESA-N 425.488 5.043 30 20 IKED COc1ccc(CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1OC1CCCC1 609505091 MVCUAWHOFOAGFY-UHFFFAOYSA-N 443.503 5.006 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1cccc(CSC2CCCC2)c1)c1ccccc1 610127594 BARFMKGIEILSDJ-UHFFFAOYSA-N 435.593 5.528 30 20 IKED N#CCCN(Cc1ccco1)C(=O)c1cccc(Sc2cccc(Br)c2)n1 610196934 QPAJYNKLMQHRIR-UHFFFAOYSA-N 442.338 5.144 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 610599123 BFRHRCNDHWVLFH-MOPGFXCFSA-N 441.478 5.741 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(OCc2ccc(F)cc2)CC1 611261374 SLPYFWJZVZWIFK-KRWDZBQOSA-N 427.545 5.433 30 20 IKED N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC(C(=O)c2cc(F)ccc2F)CC1 613518434 DBDRWZUUSMTDHP-UHFFFAOYSA-N 429.829 5.276 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1csc(-c2ccccc2F)n1 620168419 AEJNUMZVFYFVHR-NXEZZACHSA-N 440.384 5.589 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)nnc1-c1ccccc1 662023789 BTGPAERFUUDAQN-OALUTQOASA-N 442.588 5.642 30 20 IKED O=C(Nc1cccc(F)c1F)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 673650606 BWVKYLOTMYFXHH-UHFFFAOYSA-N 435.274 5.440 30 20 IKED C=CCN(Cc1csc(N(C(C)=O)c2ccccc2F)n1)Cc1ccc(Cl)s1 674866931 QJXYMPGLQTUOBR-UHFFFAOYSA-N 435.977 5.870 30 20 IKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCCC#N)c1 728778998 WLJNKBVUFHDNQI-QFIPXVFZSA-N 448.592 5.266 30 20 IKED CCN(C(=O)/C=C\c1ccccc1C#N)[C@@H]1CCSc2ccc(Br)cc21 728845254 GHIIWXWEYXAXEF-JNLAIUADSA-N 427.367 5.420 30 20 IKED Cc1ccsc1C(=O)Nc1ccc(OC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cc1 729215180 GBOPXXVSHMHYQD-NRFANRHFSA-N 434.517 5.190 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 729414141 VDMGPVBSRKULNH-HSZRJFAPSA-N 449.551 5.288 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 730416693 GVODSNZRRVIQMW-GOSISDBHSA-N 438.915 5.310 30 20 IKED Cc1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c(Br)c1 730417580 QFOINXGZJNDCET-WCQYABFASA-N 433.302 5.150 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)ccc1F 730688446 XCZRIIMYHDMXND-MRXNPFEDSA-N 437.496 5.786 30 20 IKED N#C[C@H](C(=O)[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1)c1nc2ccccc2o1 730690440 TYPGITPMFSPLFM-OPAMFIHVSA-N 437.282 6.131 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1nc2ccccc2s1 730994691 LTNYKUNKTUAYBH-CMDGGOBGSA-N 433.480 5.973 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2cc(F)ccc2s1 731062581 FEPHOFUYZSBUKM-CYBMUJFWSA-N 428.510 5.088 30 20 IKED N#CCOc1ccc(CC(=O)OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 732365004 GCZGWDJDUFNSSB-UHFFFAOYSA-N 432.423 5.017 30 20 IKED N#C[C@@H](C(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1)c1nc2ccccc2o1 732496444 VOSHRPPWGDBKRB-HNNXBMFYSA-N 442.422 5.001 30 20 IKED CC(=O)Nc1ccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1C 733623190 HPYZGJHYTRLQTL-NRFANRHFSA-N 432.911 5.906 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1 733799968 OYKYIONEKFJXNK-KRWDZBQOSA-N 446.532 5.237 30 20 IKED Cc1cc(/C=C\C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)ccc1Oc1cccnc1 735231788 AOGCZSXEODXREM-WMZJFQQLSA-N 429.444 5.075 30 20 IKED CCc1ccc(-c2nc(CC(=O)OCc3cc(Cl)ccc3OCC#N)cs2)cc1 735334427 IXLRPECNLBMXCR-UHFFFAOYSA-N 426.925 5.214 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1cccc(CN(CC)C(=O)OC(C)(C)C)c1 737004570 PZZGXEOBXICIFF-UHFFFAOYSA-N 429.586 5.725 30 20 IKED COc1ccccc1-c1ccc(CN(C(=O)NCc2cc(C#N)ccc2F)C(C)C)cc1 745893612 YZMCCROMBIJTDT-UHFFFAOYSA-N 431.511 5.493 30 20 IKED Brc1cccc(NN=Cc2cn(Cc3ccccc3)nc2-c2cccnc2)c1 745987803 MGAOWYYORUARGB-UHFFFAOYSA-N 432.325 5.202 30 20 IKED Cc1cc(C#N)ccc1C(=O)Nc1ccc2nc(NC(=O)c3ccc(C#N)cc3C)ccc2c1 747855438 NVGXJPKLECOOJT-UHFFFAOYSA-N 445.482 5.100 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1 747975766 BTDMHBAMBNPZLF-UIOOFZCWSA-N 443.522 5.694 30 20 IKED Oc1ccc2ccccc2c1/C=N\C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 749748846 QROAPVHFNXRRPK-HSMHNTNPSA-N 428.454 5.057 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 752614740 GGYSMUDBFSMKKO-SBUREZEXSA-N 446.617 5.240 30 20 IKED CCN(CC)[C@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1 755639462 IWRDQTNVPVNZDJ-IERDGZPVSA-N 425.504 5.348 30 20 IKED N#CC1CCC(COC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)CC1 755975950 ZNSUIRRFYTYIDZ-ZPOFDXGNSA-N 430.548 5.040 30 20 IKED C[C@@H](OC(=O)c1c(F)cc(C#N)cc1F)C(=O)Nc1ccccc1Sc1ccccc1 756595636 DPQUCFAYUBVWNJ-CQSZACIVSA-N 438.455 5.172 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](c1cccnc1)c1cccc(C(F)(F)F)c1 759593275 FFUYZHIUPXLUFF-YCRPNKLZSA-N 426.394 5.072 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(F)cc2OCC#N)cc1C 760792358 OCKWVCQBHDCZOL-UHFFFAOYSA-N 440.478 5.450 30 20 IKED C=CCN(C(=O)c1cc(Cl)cc(Cl)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 762419813 VXTAZWLHUSULFM-UHFFFAOYSA-N 435.292 5.253 30 20 IKED C=CCn1c(-c2cccc(OC)c2)nn(CN2CCC(OC3CCCCC3)CC2)c1=S 764944512 GHFFOHVEFJXXGT-UHFFFAOYSA-N 442.629 5.047 30 20 IKED N#CC1(c2ccccc2)CCC(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 768400521 CYMRZUUYMDICSZ-UHFFFAOYSA-N 443.513 5.036 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1ccc(Cl)cn1)c1nc2cc(C(F)(F)F)ccc2s1 769290025 AWIBEXIJQCKOFC-LBPRGKRZSA-N 437.830 5.203 30 20 IKED COc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(F)(F)F)n1 776418269 NOOCQAVZSKRLET-UHFFFAOYSA-N 432.242 5.399 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc([C@H]2CCCOC2)cc1 780306685 XWTJIAIRNRPJDS-GMAHTHKFSA-N 440.499 5.334 30 20 IKED O=C1/C(=C\c2ccc3cnccc3c2)CN(CC2CC2)C/C1=C\c1ccc2cnccc2c1 782330421 ZDWDYJJGGORDLR-DYCUMYEBSA-N 431.539 5.545 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)Nc1cccc(COc2ccccc2)c1 783494773 OBFDSKSNTGMZJQ-GOSISDBHSA-N 445.544 5.237 30 20 IKED C[C@]12CCN(C(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)C[C@H]1C2(Cl)Cl 791190857 DJDDMYUSWKDBPP-QUCCMNQESA-N 435.738 5.660 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1nccc2ccccc12 792096358 NTJMZJKWKIPXFW-SFHVURJKSA-N 438.339 6.084 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N[C@@H](C#N)c1cccc(Br)c1 793315760 YESMNWHTYLFRRB-SFHVURJKSA-N 444.329 5.099 30 20 IKED CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1O[C@@H](C)C#N 797477862 AVBCTBULXNVJDP-ZDUSSCGKSA-N 444.318 6.144 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(Oc2ccccc2)cn1 799602156 IRCFQRZATGIUSH-JOCHJYFZSA-N 449.466 5.627 30 20 IKED N#C[C@H]1CC[C@@H](COC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)CC1 809092182 ZNSUIRRFYTYIDZ-TUMGBXRDSA-N 430.548 5.040 30 20 IKED Cc1ccc(C(=O)N2C[C@H](c3ccc([N+](=O)[O-])cc3)SC2=Nc2ccccc2C)cn1 818060200 MTIRIHTUKAYKSJ-OAQYLSRUSA-N 432.505 5.225 30 20 IKED CCN(C(=O)CON=C(C)c1nc2ccccc2n1C(F)F)c1cccc2ccccc12 836978837 WRVFVZJKOLHMSN-UHFFFAOYSA-N 436.462 5.378 30 20 IKED O=C([C@@H](F)c1ccc(C(F)(F)F)cc1)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 857483599 CXFBHGXEHKGKRZ-IRXDYDNUSA-N 435.339 5.335 30 20 IKED Cc1ccc(O[C@H]2CCN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)C2)nc1 858060564 VQQHUEIACRZMOO-IBGZPJMESA-N 433.895 5.001 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1SC(F)(F)F 914743971 PZNUOZPBCCYVHN-RKDXNWHRSA-N 439.343 5.938 30 20 IKED O=C(Nc1cccc(/C=C/C(=O)c2ccccc2OC(F)F)c1)c1ccccc1Cl 916140352 OBQZXZNTSFFAIV-OUKQBFOZSA-N 427.834 6.090 30 20 IKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc(Cl)c1 916211983 ISTDYFWTFZSWGO-IBGZPJMESA-N 445.972 5.109 30 20 IKED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)c1 916893327 YXDNHKAXQQGLNI-QGZVFWFLSA-N 445.327 5.692 30 20 IKED Cc1nc(-c2ccccc2)[nH]c1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916904644 BVAVEWFKLQDLNZ-FQEVSTJZSA-N 436.471 5.139 30 20 IKED C[C@H](Oc1cccc(Cl)c1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916907587 YVLNHKKIBSQHHI-OXJNMPFZSA-N 434.879 5.247 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C 916925795 TVEACIWEXGAKIM-AVRDEDQJSA-N 429.520 5.074 30 20 IKED COc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3cccs3)cc2F)cc1OC 917542557 ZCLXTQYBAQNJIS-UHFFFAOYSA-N 440.525 5.001 30 20 IKED CCN(Cc1ccccc1NC(=O)CSCc1ccc(C#N)cc1)C(=O)OC(C)(C)C 918605011 AUORYVKBVWSLNV-UHFFFAOYSA-N 439.581 5.187 30 20 IKED CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccccc1SCC#N 918679468 CRMJWGASMWUGNH-UHFFFAOYSA-N 436.556 5.316 30 20 IKED Cc1sc(NC(=O)c2ccccc2OCC#N)c(C(=O)OC(C)C)c1-c1ccccc1 919998180 UMLOXRXXADPIOA-UHFFFAOYSA-N 434.517 5.443 30 20 IKED CNC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N([C@@H](C)c2ccc(C)s2)C1=O 920168554 MJWVFAZZXSFJOF-YWZLYKJASA-N 437.590 5.039 30 20 IKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@@H](C)c2ccc(C)s2)c1 920169591 GWEBDFCMMJPNSX-OXJNMPFZSA-N 441.622 5.035 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccccc3N)cc2)CCC1 1788071404 KOVILPSCPDGINQ-LJJIPZOBSA-N 429.564 5.185 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccoc4c3)CCC2)cc1 1789452083 ZDAXMGYOPFHZPD-OAQYLSRUSA-N 429.520 5.344 30 20 IKED C[C@H](C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CCC1)c1cccs1 1790290754 CWPRPSDGOKBBOQ-KRWDZBQOSA-N 429.545 5.171 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@H](C(C)C)CC3)cc2)CCC1 1791376089 OKIFVYCLPMUKAX-NJDAHSKKSA-N 441.616 5.384 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)cc(C)c2)[C@H]1c1cccnc1 1802496089 OMTLFHYYGYRBHM-UPVQGACJSA-N 433.596 5.010 30 20 IKED CCCCCc1ccc(/C=C/C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCC#N)[nH]n2)cc1 1814760662 YCJLAEMYAMRCNN-TVXVBNPNSA-N 447.583 5.152 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3c[nH]c4cc(C)ccc34)CC2)C1 1823705032 MENHDXXJDGBIOG-TTZARTBGSA-N 445.607 5.075 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CC3CCCC3)CC2)c1 1826265790 YDTHHNYOYNQLFF-NBGIEHNGSA-N 435.612 5.127 30 20 IKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c4cccc(Cl)c34)CC2)C1 1828742151 YCKCMOQRZXRIMT-JOCHJYFZSA-N 439.987 5.021 30 20 IKED CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)CCCC1 1829685492 HZLVOIUNHXPLLH-OAQYLSRUSA-N 442.003 5.025 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H]3CC[C@H](C)CC3)CC2)c1 1832373757 ZYBXOURAJQIIDR-YWDMUFDYSA-N 449.639 5.373 30 20 IKED N#Cc1ccsc1NC(=O)COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 11713865 HQXHSVXRPLQSAX-UHFFFAOYSA-N 442.949 5.361 30 20 IKED C=CCn1c(SCc2nc(-c3ccc(F)cc3)no2)nnc1-c1ccc(Cl)cc1 18771083 KLUSHNPLIZJQQA-UHFFFAOYSA-N 427.892 5.266 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N(C)Cc2cccc(F)c2)nnc1-c1ccc(Cl)cc1 22044959 CIFHEKPLEKGPAY-OAHLLOKOSA-N 444.963 5.063 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)nnc1-c1cccc(C)c1 22212553 IJRUTYWFDWGMCK-CYBMUJFWSA-N 448.379 5.261 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)CCC2)=C(/S)Nc1ccc(OC)cc1 22731275 KHPHQQFMBPKXCL-UHFFFAOYSA-O 431.581 5.085 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(C(C)C)no2)nc2scc(-c3ccccc3)c2c1=O 27777418 LGPMUEAQDNRTPI-AWEZNQCLSA-N 438.578 5.671 30 20 IKED Cc1ccccc1N(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)c1nc2ccccc2s1 60949284 VWXMCXDFBPHASC-UHFFFAOYSA-N 442.544 5.079 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(Oc2cc(C)ccc2C)nc1 63401662 MAIIIHMWQSFDKN-UHFFFAOYSA-N 426.520 5.260 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccccc4Cl)c3)n2)cc1 64792726 QCJDCWDNNDBLPW-QGZVFWFLSA-N 434.908 5.148 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(C(=O)c2ccccc2)cc1 78665551 ZGTVAEUYYMOLGU-SFHVURJKSA-N 430.529 5.329 30 20 IKED COc1ccccc1Nc1nnc(SCC(=O)c2cn(CCC#N)c3ccccc23)s1 104566692 LFARKBWYJKKGMP-UHFFFAOYSA-N 449.561 5.134 30 20 IKED Cc1cc(C)c(N2C[C@@H](C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)CC2=O)c(C)c1 195664291 AFFVBTXTNJLMJW-RDJZCZTQSA-N 437.952 5.104 30 20 IKED C=CCOc1c(Br)cc(CN[C@@](C)(CC)c2nc(C)cs2)cc1OCC 237007902 IVZYMHBDUHPRPI-FQEVSTJZSA-N 439.419 5.593 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](Cc1ccccc1)c1ccccc1 303373019 KOZCNAWKBYIVCN-RDPSFJRHSA-N 429.589 5.450 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 303399627 ZSTAJMGZFGKWSF-MRXNPFEDSA-N 445.573 5.642 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Nc1ccc(NC(=O)c2cccs2)cc1 303514932 OPGFKFPPTXEISK-INIZCTEOSA-N 425.579 5.077 30 20 IKED CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 410308083 JTDTWOGXDCJLLW-WAIKUNEKSA-N 446.938 5.837 30 20 IKED CC(C)(C)N1C[C@@H](c2nc([C@H](F)c3ccc(C(F)(F)F)cc3)no2)[C@H](C(F)(F)F)C1 426576203 JGONJSHEYORVPX-MGPQQGTHSA-N 439.375 5.524 30 20 IKED CC(C)(c1ccc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1)C(F)(F)F 434067661 JXVBLVTYSGHDEI-MRXNPFEDSA-N 425.248 5.284 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(OCC4CCCC4)CC3)c2)cc1 435091243 ICTXUVICDUFCIS-UHFFFAOYSA-N 447.579 5.535 30 20 IKED N#CCC[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F)c1ccccc1 438845423 BHDRSNRQJOAFGO-INIZCTEOSA-N 428.266 5.439 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3cc(Cl)ccc3Cl)c2)cc1 439397081 ZWBWRTAGKORYJV-UHFFFAOYSA-N 426.259 5.235 30 20 IKED Cc1c(CSC(C)C)cccc1NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N 441048754 JRVZWOIMSQPVON-INIZCTEOSA-N 441.622 5.466 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@H](c3nc(C(C)(C)c4ccc(Cl)cc4F)no3)C2)n1 445595401 CVIMRVHVFGUSFJ-INIZCTEOSA-N 439.922 5.147 30 20 IKED Cc1cc(CN(C)C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1F 447305898 QHFSUBPIPZQYAO-NRFANRHFSA-N 449.913 5.040 30 20 IKED N#Cc1ccc(CN2CCC(NCc3nc4c(s3)C[C@@H](c3ccccc3)CC4)CC2)cc1 463288534 OYGSNQCXAVCEIL-QHCPKHFHSA-N 442.632 5.041 30 20 IKED Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 464422146 PRRJEVFXLSRSFO-MRXNPFEDSA-N 429.467 5.681 30 20 IKED CC[C@H](NC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F)c1nc(C(F)(F)F)cs1 465987856 VNVFGUINVRGJAI-JQWIXIFHSA-N 429.361 5.355 30 20 IKED N#C[C@@H]1N(C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)CCC[C@]12CCCCO2 468668240 QORNOXDXBXKQID-FXAWDEMLSA-N 436.364 5.184 30 20 IKED CCCNc1ccc(C#N)cc1NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 468973278 OHVVWVUYRSKVRI-UHFFFAOYSA-N 443.532 5.314 30 20 IKED C[C@@H](O)C[C@@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1 469504978 NIEASGCPQINVAT-YKSBVNFPSA-N 443.547 5.008 30 20 IKED C[C@@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C[C@@H]1n1ccnc1 469512375 QUQCVQXIRDUOMM-OAOOKAIFSA-N 433.943 5.307 30 20 IKED Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1C 470536065 APUNUGBLCDTIDH-HSZRJFAPSA-N 430.552 5.255 30 20 IKED C[C@@H]1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C[C@@H](c2ccsc2)O1 470736078 GFHKOKNUMOMUNQ-VGSWGCGISA-N 434.586 5.514 30 20 IKED N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc3nc(-c4ccccc4Cl)[nH]c3c2)cc1 470834287 WKTLGIOPIFHJQW-KRWDZBQOSA-N 425.879 5.076 30 20 IKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCc3nnc(C4CCCC4)o3)c2C#N)C1 471105008 UDABCWZCJLXCFJ-OAHLLOKOSA-N 426.586 5.383 30 20 IKED Cc1cc(Br)c2ccccc2c1NC(=O)CCc1c(C)nc(O)c(C#N)c1C 478105886 YFUIMGDQFRWMRR-UHFFFAOYSA-N 438.325 5.071 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ncoc2-c2ccccc2)cc1 478647015 RALMTPVZBNPJKJ-UHFFFAOYSA-N 440.459 5.336 30 20 IKED C=C(C)[C@@H](NC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)c1ccc(F)c(F)c1 478921563 VFYNMEIHQJTAHU-JOCHJYFZSA-N 444.503 5.082 30 20 IKED CN1CCC(N(Cc2ccco2)C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 480832105 UAVWKTVOOOQFDV-UHFFFAOYSA-N 431.561 5.039 30 20 IKED C[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 482288803 SZEPYBXAZUWWOZ-MHZLTWQESA-N 444.579 5.245 30 20 IKED N#C[C@H](C(=O)c1ccccc1SCc1cn2ccccc2n1)c1nccc2ccccc12 483220047 WCYVXBWOFUFNKQ-QFIPXVFZSA-N 434.524 5.665 30 20 IKED C=CCn1c(SC[C@H](OC(C)C)c2ccccc2)nnc1[C@H]1COc2ccccc2O1 488302742 VPJRKUZSDBWNHF-YADHBBJMSA-N 437.565 5.235 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(Sc2ccccn2)cc1 499018238 ZAUDOSLEABVIDC-UHFFFAOYSA-N 438.512 5.853 30 20 IKED N#Cc1cccc(CNC(=O)Nc2ccc(COc3ccc(Br)cc3)cc2)c1 500198216 MADISTFPKXAQQW-UHFFFAOYSA-N 436.309 5.221 30 20 IKED COc1ccccc1C[C@H](C)CC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 500649594 VCGKCSQFYZYRSN-NBGIEHNGSA-N 428.532 5.224 30 20 IKED CCCN(C(=O)CCc1c(C)nc(O)c(C#N)c1C)[C@@H](C)c1ccc(Cl)c(Cl)c1 502788673 IGUQMBYZARCSKB-HNNXBMFYSA-N 434.367 5.515 30 20 IKED Cc1cc(C(=O)Nc2ccc(OC(C)C)cc2C(F)(F)F)nn1-c1cccc(C#N)c1 503157414 OHCQZEYNELLHIO-UHFFFAOYSA-N 428.414 5.111 30 20 IKED Cc1ccc2nc(COc3cccc(C(=O)N4CC=C(c5ccc(C#N)cc5)CC4)c3)cn2c1 503855262 HADQQRZPMVHHFK-UHFFFAOYSA-N 448.526 5.023 30 20 IKED C[C@H](CC#N)N(C)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 505149185 QYEOEADWPRBWDO-QGZVFWFLSA-N 443.938 5.174 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1ccc(OCC)cc1 505566582 QSEUPDRWBIKZBP-SANMLTNESA-N 427.548 5.668 30 20 IKED N#C[C@@H](NC(=O)CSCc1cc(-c2cccs2)on1)c1ccc(Cl)c(Cl)c1 505922586 JGPOATXUBYWWJL-OAHLLOKOSA-N 438.361 5.324 30 20 IKED O=C(c1ccncc1C(F)(F)F)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 506918884 UIFGJMLEBDZVJQ-UHFFFAOYSA-N 436.327 5.100 30 20 IKED C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC(Oc2ccc(C#N)cc2)CC1 507834015 ODAXFZQUZPEYRS-HXUWFJFHSA-N 425.532 5.096 30 20 IKED C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 510666944 OHJTXIUXQXBVAV-GOSISDBHSA-N 438.491 5.156 30 20 IKED CC[C@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(Cl)s1 510763684 NDLSDFJPWUFXNS-AWEZNQCLSA-N 444.944 5.005 30 20 IKED Cc1c([C@@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)oc2ccccc12 511339310 VHNNDQOQIIKZSA-LJQANCHMSA-N 439.515 6.269 30 20 IKED N#Cc1ccccc1N1CCCN(C(=O)Nc2cccc(OCc3cccc(F)c3)c2)CC1 511363255 MZXMACDUSHWACO-UHFFFAOYSA-N 444.510 5.021 30 20 IKED N#Cc1c(NC(=O)CN[C@H](c2c[nH]c3ccccc23)C(F)(F)F)sc2c1CCCCC2 513173183 JDHSYBMTZRXMND-HXUWFJFHSA-N 446.498 5.202 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2csc3ccccc23)cc1 514072014 XEBAUGUEELXEKI-UHFFFAOYSA-N 429.520 5.824 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CCCOc2ccc(Cl)cc2)cc1 515651356 GXRIPTRLZSRYNZ-UHFFFAOYSA-N 434.923 5.783 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 518256243 ROXCAGSAPVTKAK-MRXNPFEDSA-N 448.514 5.454 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1 518910509 GIXIWKGAVRSTRY-UHFFFAOYSA-N 442.515 5.355 30 20 IKED C[C@@H]1Sc2ccc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2NC1=O 521261609 WBOHPNPCGMQAMS-CMPLNLGQSA-N 441.484 5.011 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1 521812884 LGSPJKPLVQGMEG-HUUCEWRRSA-N 449.498 5.258 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N(Cc2ccc(O)cc2)Cc2ccco2)cc1 522546667 YNPGZFIFCYXSDD-UHFFFAOYSA-N 438.483 5.278 30 20 IKED CCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H](C)c1cccc(O)c1 522843393 PXGGUHYQNAIYSH-IBGZPJMESA-N 429.520 5.652 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1C#N 523348677 IJCPONQQHPCWDW-UHFFFAOYSA-N 434.546 5.119 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](c1nnc2ccccn12)C(C)C 523895611 UWQLNWVZHFAMTF-HSZRJFAPSA-N 440.507 5.221 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCc1nc2c(s1)CCCC2 524044674 ADPOBPKMOLBFBY-UHFFFAOYSA-N 446.576 5.749 30 20 IKED CC(C)n1ncc2cc(C(=O)N(Cc3ccccc3)c3cc(Cl)ccc3C#N)cnc21 525349676 SPHPOVSLYMVYLZ-UHFFFAOYSA-N 429.911 5.384 30 20 IKED COc1cc(CN[C@H](CCC#N)c2ccccc2)cc(Br)c1OC(F)F 537324920 CZVGHRUQJUEMSJ-MRXNPFEDSA-N 425.273 5.194 30 20 IKED C[C@@H](CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C(=O)c1ccc(Cl)cc1 539682482 NXMFOTAGDHNJEZ-SFHVURJKSA-N 446.934 5.833 30 20 IKED C[C@@H](NC(=O)c1cccc(CNc2ccncn2)c1)c1ccc(-c2cccc(C#N)c2)cc1 543612238 SKIWQVPJYQEMAV-LJQANCHMSA-N 433.515 5.118 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC1CCC(c2ccc(F)cc2)CC1 543823555 DRGYDLUFRLYOFL-PPDQVPDSSA-N 439.556 5.001 30 20 IKED C[C@H](NC(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(-c2cccc(C#N)c2)cc1 544432993 MVGJVXPTKDEFNR-ATANMQQVSA-N 443.522 5.645 30 20 IKED C=C[C@H](Cc1nc(-c2ccccc2-c2ccc(CN3CCCC3=O)cc2)no1)c1ccccc1 545039199 UXDSEMPIJGDKKI-JOCHJYFZSA-N 449.554 6.038 30 20 IKED Cc1cc(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n(CCC#N)n1 545220464 DMZIOEHWTOLXPM-UHFFFAOYSA-N 441.900 5.070 30 20 IKED COCCOc1ccc(Cl)cc1-c1noc(-c2ccc(Oc3ccc(C#N)cn3)cc2)n1 546467364 NOCWUYAFASFUGB-UHFFFAOYSA-N 448.866 5.141 30 20 IKED Cc1cccc(O[C@@H](C)c2nnc(N3CCC(CC#N)CC3)n2Cc2cccs2)c1C 549579540 NGDMZQACMGKKCS-IBGZPJMESA-N 435.597 5.275 30 20 IKED CC(C)(C(=O)Nc1cc(CC#N)ccn1)c1csc(-c2c(Cl)cccc2Cl)n1 552094045 KKQRPBQNXOGDCV-UHFFFAOYSA-N 431.348 5.494 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)N[C@H]3CCCc4sc(-c5ccc(F)cc5)nc43)CC2)c1 552148177 SLKGFKRPVSIHPW-IBGZPJMESA-N 435.499 5.185 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1cccc(C(=O)Nc2ccccc2)c1 558755692 PWFSMKCFYDPRER-UHFFFAOYSA-N 427.891 5.136 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 562103761 FBPBPQQNYCJFGC-UHFFFAOYSA-N 437.569 5.388 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3cccc4ccccc34)cc2)ccn1 565449018 JWNYIUQJCLEFMS-AREMUKBSSA-N 434.499 6.268 30 20 IKED CN1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)[C@@H](c2ccccc2)C1 584568391 YVHBWJDLGSLXOR-JOCHJYFZSA-N 430.483 5.010 30 20 IKED CCN(Cc1c(F)cccc1F)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 586792102 HLWOWXNBJOFRCB-GDNZZTSVSA-N 432.355 5.406 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3C[C@H](c4ccccc4)[C@@H]4COCC[C@@H]43)cc2)cc1 587829710 GZFLNQRCPXXHIV-PVHODMMVSA-N 438.527 5.190 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c2n[nH]cc2c1 588349151 ZQRQCKMOEDIYSA-HNNXBMFYSA-N 427.316 5.792 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](c4nc5ccccc5o4)C3)cn2)cc1 603690391 OEPNNCZTRXPAGR-SFHVURJKSA-N 439.475 5.298 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1-c1nc2ccccc2s1 603730828 SXOHYRHRWLPLLQ-UHFFFAOYSA-N 443.528 5.641 30 20 IKED COc1ccccc1-c1noc([C@H](C)NC(=O)Nc2cccc(C#Cc3cccs3)c2)n1 608273164 IMFZLZJPQVZVII-INIZCTEOSA-N 444.516 5.089 30 20 IKED C[C@@H](Nc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1)c1ccccc1 608839185 RPXJWJMKBMOYFJ-LJQANCHMSA-N 437.499 6.156 30 20 IKED Cc1ccc(-c2nc(CC(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)cs2)o1 609028354 XBVKXZFMDKHMND-QFIPXVFZSA-N 443.528 5.214 30 20 IKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)CCc1c(C)nn(CCC#N)c1C 609064599 HINUKAGNWTZVBJ-UHFFFAOYSA-N 434.515 5.011 30 20 IKED CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 609078547 XZXZJWXADYEDQB-GOSISDBHSA-N 442.519 5.287 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccccc4Cl)C3)cn2)cc1 609147534 BZROJBYCVKLMRO-OAQYLSRUSA-N 434.883 5.004 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(CN4CCCCCC4)CC3)c2)cc1 609208733 CGSWUOWBYVVQQG-UHFFFAOYSA-N 432.568 5.470 30 20 IKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1Cl 609689769 GBFPBDUJSXYKFN-FOIQADDNSA-N 429.973 5.186 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 609773057 TYRFEPAHUSUIJY-NSHDSACASA-N 425.398 5.429 30 20 IKED CCOc1cc(-c2nnc(S[C@@H](C)c3ccc(C#N)cc3)o2)cc(OCC)c1OCC 609813488 BCKFACQSHWFXNX-HNNXBMFYSA-N 439.537 5.658 30 20 IKED CC(C)N(Cc1ccc(NC(=O)N[C@H](C)c2cccc(C#N)c2)cc1)C[C@@H]1CCCCO1 611622692 KBGFRNCUGFAXHK-NLFFAJNJSA-N 434.584 5.220 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1nc2cc(Cl)ccc2n1C 613908131 OQSQOVGLKXEEAG-UHFFFAOYSA-N 443.935 5.015 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C 615507730 OYWROVJEJGXIDF-UHFFFAOYSA-N 429.520 5.476 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2F)nnc1-c1ccc(Cl)cc1 617896485 SSNAHIBSNAAOPF-CQSZACIVSA-N 430.936 5.351 30 20 IKED CC(C)(CNC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1F 624236269 DCAPLNISDOERGT-ITGUQSILSA-N 428.392 5.312 30 20 IKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1nc(-c2ccccc2)cs1 642281368 DDBGASJTPHYTBO-NRFANRHFSA-N 441.487 5.692 30 20 IKED O=C(N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 672816287 DGJPQAZOQFZDBO-RYUDHWBXSA-N 437.277 5.075 30 20 IKED Cc1noc(C(F)F)c1C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 673634488 VINURCFLSBYALO-UHFFFAOYSA-N 448.266 5.055 30 20 IKED C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 673734273 NVTQJYCNFWDUMO-UHFFFAOYSA-N 426.476 5.222 30 20 IKED CCN(C(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 729338935 RISPSUKGWPMSRH-CVDCTZTESA-N 435.568 5.514 30 20 IKED CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 730141970 VETUAGKBTVZANI-WMZHIEFXSA-N 448.567 5.111 30 20 IKED Cn1c([C@@H](C#N)C(=O)[C@H](Sc2cc(F)ccc2F)c2ccccc2)nc2ccccc21 730395210 PVPIWBLQBITWQU-GAJHUEQPSA-N 433.483 5.561 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2nc3cc(Cl)ccc3s2)cc1 730688208 UPHOXMYXLWYHQP-KSSFIOAISA-N 439.968 5.743 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 730995768 SZZKLOUWRPSMPK-MRVPVSSYSA-N 435.163 6.199 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H](Sc2ccccc2F)c2ccccc2)c1 733771143 NNHSLABSOOMWEF-YKSBVNFPSA-N 434.536 5.656 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)c1 733799585 XGFGWVKQIYFZNU-SFHVURJKSA-N 438.528 5.184 30 20 IKED C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 733903170 NPVWLWOAPAJLHP-JTQLQIEISA-N 449.404 5.435 30 20 IKED N#C[C@@H](C(=O)COC(c1ccccc1)c1ccccc1)c1nc(-c2ccncc2)cs1 734082986 KEHUWIJAPDDZIC-NRFANRHFSA-N 425.513 5.188 30 20 IKED C[C@H](OC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nnc(-c2ccccc2)o1 735162325 CVZIPSRLCPPRBE-HNNXBMFYSA-N 445.862 5.972 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1CN(C)C(=O)OC(C)(C)C 737000479 KAGOPECOMKMWQJ-UHFFFAOYSA-N 436.556 5.369 30 20 IKED COc1cc([C@H](C)NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)ccc1OC(C)C 740030174 KALBWVFXVQHPRG-KRWDZBQOSA-N 449.576 5.643 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)NCC2(c3cccs3)CCCCC2)ccc1OC 740478660 IJNXYOPNPGYRLT-LJQANCHMSA-N 441.597 5.139 30 20 IKED COc1ccc(SCCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OC 741110855 AKFVPQDNQSXSRC-CQSZACIVSA-N 432.954 5.326 30 20 IKED COCCOc1cccc(F)c1C(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1 741840803 DZZNGTNTRBVIGF-PKNBQFBNSA-N 427.453 5.384 30 20 IKED CCC(=NNc1ncnc2cc(-c3ccc(Br)cc3)sc12)C1CCOCC1 745202208 PIOZASVTZOFXMA-UHFFFAOYSA-N 445.386 5.725 30 20 IKED Cc1ccccc1CN(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)Cc1ccccc1 746156239 GEYNQIULXJKLKV-XMMPIXPASA-N 432.527 5.235 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 747111880 WBCYYCCWPQKCTQ-BXKMTCNYSA-N 428.536 5.023 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)n1 747197652 LHNAWZLVWGJEJW-WDYCEAGBSA-N 427.570 5.345 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)cc1C#N 752192756 AFBMGHJVNMTJCV-ZXPDZVFASA-N 435.446 5.214 30 20 IKED C=CC[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1)c1ccncc1 752724947 DDWMKWZDMLMJFA-JPYJTQIMSA-N 431.561 5.307 30 20 IKED Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(Br)n1 755942422 QXVHAKGBZSHWFQ-UHFFFAOYSA-N 426.245 5.208 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cncc(-c3ccc(OC)cc3)c2)cc1 757876504 WQJIECNFIAOCMA-MZNJEOGPSA-N 427.504 5.232 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)c1nc(-c2c(F)cccc2F)cs1 766852391 LNJFUCYCQSNFPT-IJLUTSLNSA-N 434.389 5.486 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(N2C(=O)N[C@@H](Cc3cccc4ccccc34)C2=O)cc1 771903021 HMSMYFLBFVHFSM-FTJBHMTQSA-N 431.495 5.163 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN(CC(C)C)[C@@H]2CCCc3cccnc32)c1=S 774615362 VYAJALREKHLWMT-OAQYLSRUSA-N 434.613 5.050 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/CCc3ccc(F)cc3C2=O)cs1 776192097 HZJCQVNONGOSNF-GDNBJRDFSA-N 426.900 5.833 30 20 IKED COCCOc1cccc(F)c1C(=O)/C=C\c1cnn(Cc2ccc(C(F)(F)F)cc2)c1 777466802 FXJWWYQWHOCZLV-YFHOEESVSA-N 448.416 5.011 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1sc2cc(Br)ccc2c1Cl 780176312 KJBOZKGKNLREKW-JTQLQIEISA-N 435.730 5.860 30 20 IKED N#C[C@H](C(=O)CCc1cc(F)ccc1Br)C(=O)Nc1cccc2ccccc12 784830789 DEIDUDHTJUSTLA-GOSISDBHSA-N 439.284 5.022 30 20 IKED C[C@H](SCc1ccc(C(F)(F)F)cc1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 794441766 REJXYPLTMACTNM-ZETCQYMHSA-N 429.332 5.661 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(C)=C(Br)C2)cc1 797621679 OOKDWDHNKQHRNM-UHFFFAOYSA-N 442.313 5.266 30 20 IKED CC(=O)N(c1ccccc1)c1nc(C=NNc2ccc(C#N)cc2C(F)(F)F)cs1 799491263 DJOIQDJKRFISDH-UHFFFAOYSA-N 429.427 5.164 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cc(Cl)ccc2C(C)(C)C)ccc1OC 801829137 OSNADELUHXMWAR-QGZVFWFLSA-N 429.948 5.649 30 20 IKED COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(F)c(C(F)(F)F)cc1F 804199026 XWJNJZFOWPDBJM-UHFFFAOYSA-N 443.290 5.280 30 20 IKED C=CC[C@@H](NC(=O)C(=O)N[C@H](C)c1ccccc1-c1ccc(Cl)cc1)c1ccncc1 805813555 KPOKPIKYAHLFAW-UZUQRXQVSA-N 433.939 5.013 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2c(C(C)=O)oc3cc(C)ccc23)cc1 805855289 GHRWAUDZQDHPGC-AOMKIAJQSA-N 430.504 5.347 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(N2CCCCC2=O)cc1 810184227 OAQMXGIKYHWNCH-ZWKOTPCHSA-N 436.581 5.480 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc2cc(Cl)sc2[nH]1 810529366 FAHWOZRYRABATH-LLVKDONJSA-N 425.869 5.159 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C=NNc1cncc(Cl)n1 914557745 WVJBSEAQRIQUNB-UHFFFAOYSA-N 430.126 5.089 30 20 IKED Cn1ccnc1[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(F)cc1 915353642 VSSZLYDBSJPRPP-DNQXCXABSA-N 439.494 5.126 30 20 IKED N#C[C@H](C(=O)/C=C/c1cc(Br)ccc1F)c1nc(-c2ccccc2)cs1 917025538 NBCPSIIZGHABOB-YXMGTMDOSA-N 427.298 5.601 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc4nc(Cl)ccc4c3)c2)cc1 917344699 VAUWLTWGSSSHCM-UHFFFAOYSA-N 427.891 5.786 30 20 IKED O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 919653413 WPJGHKJUQXPBFW-QWRGUYRKSA-N 445.354 5.160 30 20 IKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 920104415 QPTSZEBZYAWKNP-GOSISDBHSA-N 448.320 5.163 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)sc2ccc(F)cc12 920106541 RPMJMQPVZITHRD-AWEZNQCLSA-N 437.521 5.428 30 20 IKED COc1ccc(C=NN(C(=S)Nc2cccc(Cl)c2)C(C)(C)C)c(OC)c1OC 920384757 CCHAJZMESRNDBM-UHFFFAOYSA-N 435.977 5.197 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](OC)c3ccccc3)cc2)CCC1 1787714840 KCWRHLMODXGZEC-BJKOFHAPSA-N 432.564 5.277 30 20 IKED CC1=CC[C@H](C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)ccc4F)CCC3)cc2)CC1 1789114256 BKQOIPTXMSFQEZ-IBGZPJMESA-N 431.511 5.191 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3c(F)ccc(Cl)c3F)cc2)CCC1 1792159711 MOMVMHUQXCXRCY-UHFFFAOYSA-N 430.882 5.169 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 1797769401 HKJSZOINKRUUHS-LILSUDLASA-N 429.004 5.074 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3c(Cl)cccc3Cl)CC2)C1 1805456416 VTMGBKQYFQLGMF-UHFFFAOYSA-N 449.422 5.607 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)[nH]n1 1814443001 GNQQZCRXSLTCDY-OAQYLSRUSA-N 433.556 5.189 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2F)[nH]n1 1819301760 QXLKTTDBBSABGF-OXQOHEQNSA-N 444.938 5.277 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@]2(F)CCCC=C2F)[nH]n1 1819557304 FXJBUQKIIBDGEM-HXOBKFHXSA-N 434.531 5.140 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)ccc2Cl)n[nH]1 1821123691 BRGBOCIJTLIVKM-OXJNMPFZSA-N 444.938 5.277 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)s2)CC1 1825854715 YXHVPBZFKXYUGQ-LJQANCHMSA-N 435.033 5.403 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3sccn3c2)CC1 1827401844 DPYNPBFSUAUIDH-QFIPXVFZSA-N 439.625 5.003 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCC(F)(F)CC2)CC1 1828825700 YCPFIRYFWLJMJV-VXKWHMMOSA-N 436.587 5.200 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1831370849 XAQZGXNAAFPNMM-HFZDXXHNSA-N 447.623 5.436 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(C)ccc2OC)nnc1-c1ccc(Cl)cc1 16862757 TYGSMZDXSXVYAH-OAHLLOKOSA-N 442.972 5.221 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2cccc(C)c2C)cc1 23603654 DGJVVCFKOZGVIC-UHFFFAOYSA-O 448.656 6.490 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 24646011 RRJZTGRCVZCINK-GOSISDBHSA-N 441.531 5.514 30 20 IKED C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)Nc1sc2c(c1C#N)CCC2 26514387 XAIFLDGCFSVVCH-SNVBAGLBSA-N 448.495 5.190 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2ccc3c(c2)OCCO3)c1 28649244 KIRILQSGOMQDRV-UHFFFAOYSA-O 447.580 5.030 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Oc2cccc(Br)c2)nc1 62905869 LGPUIUDUQOGRDW-UHFFFAOYSA-N 448.320 5.336 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2nc(-c3ccccc3OC(F)F)cs2)cc1 110597419 BXKRJIZCOVITDX-UHFFFAOYSA-N 431.489 5.155 30 20 IKED Cc1cccn2cc(COc3ccccc3C(=O)Nc3sc4c(c3C#N)CCCC4)nc12 247955284 ZZBLBABSBYSHAQ-UHFFFAOYSA-N 442.544 5.286 30 20 IKED Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 303451349 KQSXBXNZIQDXMC-UHFFFAOYSA-N 441.531 5.683 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 303556628 KMFAHLZSHVORRI-UHFFFAOYSA-N 439.515 5.016 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(-c4ccc(C)cc4C)[nH]n3)n2)cc1 426526908 WLGYXCOTRLDDEI-LJQANCHMSA-N 428.517 5.316 30 20 IKED CC(C)(C)Cc1nc2cc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)ccc2o1 429981915 LLAZDUYHCUZLGG-UHFFFAOYSA-N 427.508 5.446 30 20 IKED C=CCC[C@@H](NC(=O)N1CCCC[C@H]1c1nccn1CC)c1ccc(C(F)(F)F)cc1 430886431 AIXADNJFXJQUNE-UXHICEINSA-N 434.506 5.866 30 20 IKED COc1ccc2ccc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cc2c1 431398647 XHHLBFHTTGLVBJ-UHFFFAOYSA-N 432.530 5.116 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2cccc(N(C)C)c2)cc1 431874238 XXUANIXZZJJWFP-UHFFFAOYSA-N 430.508 5.089 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1)c1ccccc1 432866312 LHVLAFYITMMLCL-HSZRJFAPSA-N 444.510 5.564 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c2ccccc21 435923909 SMVXSQSVFBXKPB-UHFFFAOYSA-N 426.398 5.010 30 20 IKED CCN(CC1CCN(c2ccccn2)CC1)C(=O)Nc1ccccc1SC[C@H](C)C#N 438065667 JEMNHXCJRLQCEV-LJQANCHMSA-N 437.613 5.104 30 20 IKED C=CCC[C@@H](NC(=O)NCc1nnc(C(C)(C)C)s1)c1ccc(C(F)(F)F)cc1 440864021 CYONEGHCBRDHRV-OAHLLOKOSA-N 426.508 5.361 30 20 IKED Cc1ccc(OCc2ccccc2)c(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c1 442494903 NGKCVBLVDNUAIB-RUZDIDTESA-N 427.504 5.051 30 20 IKED COc1cc2c(cc1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)O[C@@H](C)C2 448450305 UNEDHLLAMQEJDO-KRWDZBQOSA-N 444.556 5.113 30 20 IKED C[C@H](CC(=O)c1ccccc1F)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 463475824 KXYILCGKLNSWHD-MRXNPFEDSA-N 434.442 5.263 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N1Cc2ccccc2C[C@H]1c1ccccc1 464203127 CCSKYZPQWPOGLE-DEOSSOPVSA-N 426.516 5.052 30 20 IKED N#CCCCOc1cccnc1NC(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 466610948 NJBRTBVJZVMIDR-FQEVSTJZSA-N 448.502 5.052 30 20 IKED Cc1c(COc2ccccc2)cccc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 472879489 MYTOAUVOGYQONR-RSXGOPAZSA-N 425.532 5.878 30 20 IKED CC(C)c1cccc(CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 477594739 XXPXYRBTHXPTTH-UHFFFAOYSA-N 449.498 5.089 30 20 IKED C=CCOc1c(Br)cc(CNc2cc(NC(=O)NCC)ccc2C)cc1OC 487206906 FGVPVSZBBIEUOU-UHFFFAOYSA-N 448.361 5.084 30 20 IKED C=CCn1c(SCC(=O)c2sccc2Br)nnc1-c1ccccc1C 488875778 GBBITNYCKYYDSK-UHFFFAOYSA-N 434.384 5.239 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(OC3CCCC3)c2)cc1C 492636837 PVJVAUWGXWJGCW-UHFFFAOYSA-N 428.536 5.654 30 20 IKED CN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C1CCN(Cc2ccccc2)CC1 499483495 IFOGXEREAJCLNH-UHFFFAOYSA-N 443.522 5.226 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1Cc2cc(Br)ccc2C[C@H]1C 499897850 VIOQADVATMMJQG-CABCVRRESA-N 444.398 5.822 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCc2cccc(Cl)c2Cl)cc1C 501844122 WSMROKYJRVYCBJ-UHFFFAOYSA-N 441.362 5.360 30 20 IKED COCCOc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 503189864 AXKNGIPBZCEXPU-HSZRJFAPSA-N 449.938 5.342 30 20 IKED Cc1cc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2)CC3)nn1CCC#N 504293811 UDFKCLKUBZWPGM-JZJYNLBNSA-N 433.515 5.393 30 20 IKED CC[C@H](C)n1c(SCC(=O)N[C@H](C#N)c2ccc(Cl)cc2)nnc1-c1ccccc1 505837992 KRRUWLVEMIXYAN-HNAYVOBHSA-N 439.972 5.043 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)CCc2cccc3ccccc23)cc1 508271765 DXEZQYKZMKJPGK-UHFFFAOYSA-N 427.548 5.360 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCn2cnc3ccccc32)cc1Cl 510024794 WCWSOQAKEAPBJS-NRFANRHFSA-N 443.938 5.557 30 20 IKED N#Cc1ccc(-c2ccccc2)nc1SCc1nnc(-c2ccc(Br)o2)o1 510195823 FZCHMHGOYWLSHI-UHFFFAOYSA-N 439.294 5.318 30 20 IKED Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 515653349 NXIFOMXIKDVFSG-UHFFFAOYSA-N 433.511 5.954 30 20 IKED COc1ccc(-c2nc(CC(=O)Nc3ccccc3SCCC#N)cs2)cc1OC 518122405 VXTDWHOUEPJQPU-UHFFFAOYSA-N 439.562 5.014 30 20 IKED Cc1cccc(-n2ncc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2C)c1 520432187 RSBWJRWQWDUNOE-MRXNPFEDSA-N 434.471 5.381 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1 521252000 YHSUUCGKMFPJDJ-UHFFFAOYSA-N 430.439 5.049 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ccccc1SC[C@H](C)C#N 521730198 NENRYSUIVWPMPT-CYBMUJFWSA-N 427.982 6.276 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NC(c3ccccc3)c3ccccc3)cc2)c1 521808887 RHGWHMYKCMCNTK-UHFFFAOYSA-N 447.494 5.195 30 20 IKED Cc1c(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)oc2ccc(F)cc12 524026758 ZGIGLWATCNUOEI-UHFFFAOYSA-N 445.469 5.803 30 20 IKED Cc1cccc(OCCN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 524438663 PMHRODDMCPJUMA-UHFFFAOYSA-N 429.520 5.297 30 20 IKED O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)Nc2ccc(F)cc2C(F)(F)F)CC1 524469182 JLIICCCEEBTOJG-UHFFFAOYSA-N 448.338 5.389 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)cc1 525026687 MAXBXQGYWFETOF-UHFFFAOYSA-N 442.302 5.349 30 20 IKED CC[C@H](C)n1ncc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1C1CC1 534083093 BFWSAIYSFPOEPQ-INIZCTEOSA-N 427.508 5.108 30 20 IKED CCOc1ccc(-c2nc(CC(=O)N(CC)c3ccc(C#N)c(Cl)c3)cs2)cc1 534385048 XLJKTYXRZDYPKU-UHFFFAOYSA-N 425.941 5.329 30 20 IKED N#Cc1c(NC(=O)CCN[C@H](CC(F)(F)F)c2ccc(F)cc2)sc2c1CCCC2 537075842 HWEYOQUHKJEYDN-QGZVFWFLSA-N 439.478 5.250 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CN[C@@H](C)c2sc(-c3ccccc3)nc2C)cc1 542590879 WBRXSXDZBUOMJF-SFHVURJKSA-N 448.592 5.115 30 20 IKED C[C@H](NC(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(-c2cccc(C#N)c2)cc1 543016552 FLNZHWYTJSPIHA-ZWKOTPCHSA-N 438.531 5.231 30 20 IKED COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2CCC(=O)Nc2sccc2C#N)c1 543190820 XEUWZGFDAJBCDP-VWNXMTODSA-N 431.561 5.188 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NCc1ccc(F)c(C#N)c1 543506339 ZMULGZLXSKPRGC-LBPRGKRZSA-N 430.346 5.743 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1cccc2c1CN(c1ccccn1)C2 550680894 GXHSFHTZMVCJBR-QGZVFWFLSA-N 429.549 5.640 30 20 IKED N#Cc1ccsc1NC(=O)C(=O)Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1 550764132 KRUPPMOFMIKCKA-UHFFFAOYSA-N 431.395 5.008 30 20 IKED C[C@H](CC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccc(Br)cc1 552688669 FTONOUFCSCFLKN-OAHLLOKOSA-N 445.332 5.023 30 20 IKED C[C@@](C#N)(NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1)C1CCCCC1 555904240 LLYCNFISVKRDEL-QFIPXVFZSA-N 427.595 5.071 30 20 IKED CC(C)(C)c1csc(NC(=O)C(=O)N[C@H](Cc2ccccc2)c2cccs2)c1C#N 555981755 WTMKCHXNCGRJEP-GOSISDBHSA-N 437.590 5.017 30 20 IKED CC1(C(=O)N2CC[C@](C)(c3ccc(F)cc3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 557662868 BOWTYQCHRPFWBA-VWLOTQADSA-N 439.962 5.147 30 20 IKED N#Cc1ccc(CNCc2ccccc2-c2ccc(Cn3cncn3)cc2)c(C(F)(F)F)c1 564536646 JLZGGJYIVGGYET-UHFFFAOYSA-N 447.464 5.174 30 20 IKED N#CCCC[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1OC1CCCC1)c1ccccc1 570112882 JXYNREYVTLFZCJ-FQEVSTJZSA-N 439.943 5.151 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)Nc2ccc(OCc3cccc(F)c3)c(F)c2)CC1 575349660 IWEKMRNHDIWDJU-UHFFFAOYSA-N 448.473 5.028 30 20 IKED C=CCn1c(-c2cccc3ccccc23)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 581160071 AHKPATUKRQISRC-WTPASJBYSA-N 430.577 5.219 30 20 IKED CSc1nc(C2CC2)cc(-c2nc(-c3ccc(COCC(F)(F)F)cc3)no2)c1C#N 583017320 YYWRPBZRMONUJL-UHFFFAOYSA-N 446.454 5.348 30 20 IKED C=CCOc1ccc(C(=O)N(CC)[C@H](c2cccnc2)c2ccc(F)c(C)c2)cc1OC 591059007 IDHLOJHSSUIKMV-VWLOTQADSA-N 434.511 5.354 30 20 IKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)cc(-c3ccco3)nc21 592973494 FYEVDPDMJKUKGY-OAHLLOKOSA-N 445.479 5.511 30 20 IKED C[C@H](Sc1nnc(-c2ccc3ccccc3c2)o1)C(=O)N(CCC#N)c1ccc(F)cc1 603726377 DZRNADAUZVXBDG-INIZCTEOSA-N 446.507 5.456 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccccc1Cc1ccccc1 603738514 LKRPOOKWMVPOEA-UHFFFAOYSA-N 449.510 5.662 30 20 IKED CC[C@@H](C)c1ccc([C@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C(C)C)cc1 604135789 FUHWKQFWRIWDIY-CRICUBBOSA-N 431.584 5.177 30 20 IKED CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)c1ccccc1-c1ccccc1C#N 604570194 AFGGZWICPXKPED-UHFFFAOYSA-N 439.490 5.724 30 20 IKED Cc1ccccc1-c1cc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)c2cnn(C(C)C)c2n1 605363272 RQJJRPRQAAGJMR-HXUWFJFHSA-N 448.530 5.662 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc3c(c2)OCCCO3)cc1 608785207 OXKOKXMPZIHSJG-UHFFFAOYSA-N 431.467 5.093 30 20 IKED C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)C(c1ccccc1)c1ccccc1 608803400 BHNGZGGRNYEQPB-FQEVSTJZSA-N 436.511 5.681 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H]3CCN(c4ccc(F)c(F)c4)C3)cc2)c1 609433851 MPZAREJGPATBJV-SFHVURJKSA-N 448.473 5.277 30 20 IKED CCn1cnnc1-c1ccccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 609727246 GGWUQYAINXGSFX-UHFFFAOYSA-N 443.894 5.535 30 20 IKED Cc1oncc1C(=O)Nc1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1 609987419 CTTCKUHLSHWMAN-UHFFFAOYSA-N 437.459 5.103 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(Cc4nnc5ccccn45)cc3)c2)cc1 609989367 UTQLLRZRSXIAKE-UHFFFAOYSA-N 444.498 5.188 30 20 IKED COc1ccc(Br)cc1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 610171331 HESDWQJAKSRNDW-UHFFFAOYSA-N 438.281 5.077 30 20 IKED N#Cc1ccc(-c2nnc(CSc3ncnc4sc(-c5ccccc5)cc34)o2)cc1 610217077 NPVKERVGWVQWKP-UHFFFAOYSA-N 427.514 5.572 30 20 IKED Cc1nc(NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)sc1SCC#N 610224591 SCYLOJWMQKBXKO-UHFFFAOYSA-N 436.990 5.348 30 20 IKED CN1CCC[C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@H]1c1cccs1 610320039 OHYGNWLJIDIXGV-JPYJTQIMSA-N 447.564 5.012 30 20 IKED COc1ccc([C@H](NC(=O)N2CCC[C@](C)(C#N)C2)c2ccc(C(F)(F)F)cc2)cc1 612378758 SBUAOVNVSLKMBJ-IFMALSPDSA-N 431.458 5.139 30 20 IKED N#Cc1ccc(CN2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)cc1F 616754306 ZHVPIMFWBXNDKJ-RUZDIDTESA-N 434.559 5.386 30 20 IKED CCN(CCC(F)(F)F)C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 623061900 LXTWPUMHOQJKBP-UHFFFAOYSA-N 447.301 5.324 30 20 IKED O=C(c1cc2ccccc2cc1OC(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 677753772 IUIUMHSMKPYOFS-STQMWFEESA-N 441.318 5.644 30 20 IKED O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 678341163 WCJYZZQTKFJEQX-MCIONIFRSA-N 448.329 5.539 30 20 IKED O=C(c1csc(Cc2cccc(F)c2)n1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 679468440 UIIYJKNUTKUKRW-TXEJJXNPSA-N 440.384 5.076 30 20 IKED C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1ccc(O)cc1 685532822 MZVLTZYFDJVQPA-FQEVSTJZSA-N 426.973 5.457 30 20 IKED O=S(=O)(Nc1ccccc1C/N=C\c1cc(Cl)cc(Cl)c1O)c1ccccc1 726428781 FFSQDCGCSORWKA-QRVIBDJDSA-N 435.332 5.119 30 20 IKED C#CC[C@H](OC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C)c1ccccn1 727775749 OEZCXZFFYUIJQY-NRFANRHFSA-N 428.319 5.041 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C1(c2ccc(F)cc2)CCCC1 731064386 WNAOCGAHYNIOOJ-KRWDZBQOSA-N 440.540 5.071 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 731114166 IETKDQXBJAYWBD-IAGOWNOFSA-N 446.617 5.095 30 20 IKED CC(=O)C1=C(c2ccc(C)cc2)N(Cc2cccs2)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 732046582 JDZLULTVGCFLNO-JOCHJYFZSA-N 447.516 5.232 30 20 IKED N#C[C@@H]1C(CN(Cc2cccs2)c2ccc(F)cc2)=CC(=O)n2c1nc1ccccc12 733309759 YIRUOAKCTPLMDR-HXUWFJFHSA-N 428.492 5.131 30 20 IKED C[C@@H](CC(=O)O[C@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccc(C(F)(F)F)cc1 733523251 NCZCTEYJDIOGNC-DLBZAZTESA-N 432.442 5.078 30 20 IKED CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1cccc(COc2ccc(C#N)cc2)c1 734585985 LIZYNGMZFOKJIE-KRWDZBQOSA-N 446.528 5.043 30 20 IKED Cc1nc(-c2ccc(S(=O)(=O)O[C@H](Cc3ccc(Cl)cc3)C(F)(F)F)cc2)co1 735315591 XQXKIQOUJUWOGX-GOSISDBHSA-N 445.846 5.182 30 20 IKED C=CCSc1ccccc1NC(=O)COC(=O)Cc1csc(-c2cccc(C)c2)n1 742774761 SRFCFKJRQCMNLL-UHFFFAOYSA-N 438.574 5.121 30 20 IKED C[C@H](c1ccc(Cl)c(Cl)c1)N(C)CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N 746137866 RRDYPJUKLRYBHY-CZUORRHYSA-N 425.319 5.223 30 20 IKED COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OCCCC#N 747473157 VUBLURPHVKMHBI-CPNJWEJPSA-N 444.965 5.437 30 20 IKED COc1ccc(N2C/C(=C/c3cc(C#N)cs3)C(=O)/C(=C\c3cc(C#N)cs3)C2)cc1 748440577 NXHXSYCOLCVVBU-LVTUVZGMSA-N 443.553 5.118 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)c(F)cc2F)[n+]2ccccc2CC)c1 748993598 APWMRICUVAZHCX-UHFFFAOYSA-O 435.519 5.428 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1c(O)cccc1Cl 755525572 RGTZKOQOHFULLV-UHFFFAOYSA-N 430.316 5.328 30 20 IKED Cc1sc2ncn(N=Cc3nc(-c4ccccc4)cs3)c(=O)c2c1-c1ccccc1 755534039 TZDFKUARCMWRSJ-UHFFFAOYSA-N 428.542 5.439 30 20 IKED CC[C@H](C#N)Oc1cc(CNCc2ccc(Br)cc2SC)ccc1OC 756121277 NXRPLVPRRVMHFY-QGZVFWFLSA-N 435.387 5.150 30 20 IKED C[C@@H](ON=Cc1ccccc1C(F)(F)F)c1nnc(-c2ccc(Cl)cc2Cl)o1 757615175 PVZYNDHPPAAMOM-SNVBAGLBSA-N 430.213 6.174 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3ccc(F)cc3OCC#N)c3cnn(C(C)C)c3n2)c(C)o1 760801248 MHPLIQWEUOEYCB-UHFFFAOYSA-N 447.470 5.183 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)N[C@@H](c3ccccc3)c3ccc(Cl)cc3)CCO2)c1 761642656 VSOBCNWLOIARBP-RPWUZVMVSA-N 431.923 5.084 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(F)cc2N(C)C)cs1 764443842 YSPASRBYRGMILL-XFFZJAGNSA-N 427.476 5.068 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)c1 772644433 ISQPGYQMNPNQSH-DEOSSOPVSA-N 434.495 5.867 30 20 IKED Cc1cc(C(=O)N[C@H](C#N)c2ccccc2Br)ccc1NC(=O)OC(C)(C)C 772698013 SKBDFFPYXXEKKP-GOSISDBHSA-N 444.329 5.099 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CC(=O)NCc1ccc(-c2ccccc2C#N)cc1 773360107 IIILCASTGFCIDO-UHFFFAOYSA-N 441.531 5.431 30 20 IKED Cc1nn(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1-c1ccccc1 774056128 RRVOSVXWHIHLGM-LJQANCHMSA-N 432.936 5.512 30 20 IKED C[C@H](C#N)Oc1ccccc1NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 779988097 AIOASWQPMKIGOP-GOSISDBHSA-N 439.475 5.350 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CC1CCC(C(F)(F)F)CC1 783351669 YTVJCHJYMROEEW-JXQTWKCFSA-N 430.854 5.063 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\C(=O)c1ccc(C(=O)N(C)C)cc1 792924549 MNFWEMSVGONYSU-SEYXRHQNSA-N 442.346 5.145 30 20 IKED CCN(C(C)=O)c1nc(/C=C2\CC(C)(C)c3ccc(Br)cc3C2=O)cs1 794967063 BZDKRBSABORRRH-MDWZMJQESA-N 433.371 5.226 30 20 IKED C[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)[C@H]1OCCc2sccc21 796745260 LWSIMHGGECSABJ-LNZPYGSCSA-N 446.528 5.138 30 20 IKED N#CC[C@@H](CC(=O)OC1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1 796832981 BOTNVOZPVCQGGU-FQEVSTJZSA-N 446.469 5.180 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 802599818 HLOZFBKZMPOEQR-KRWDZBQOSA-N 434.931 5.095 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(Cl)c(SC(=O)N(C)C)c2)cc(OC)c1OC 805435982 SSGXWZOLCRUAJF-UHFFFAOYSA-N 434.945 5.112 30 20 IKED C#Cc1ccccc1CC(=O)OCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 811257404 GVCOJRJXPIMJLF-UHFFFAOYSA-N 431.102 5.006 30 20 IKED N#C[C@H](C(=O)CSC(c1ccccc1)c1ccccc1)c1nc(-c2ccccc2)cs1 914528866 NWVIJKQHKGWICQ-JOCHJYFZSA-N 440.593 6.509 30 20 IKED CCc1nnc(S)n1N=Cc1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 916300975 KAKTUGDZUPRJQR-UHFFFAOYSA-N 425.514 5.009 30 20 IKED CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(S)nnc2C(C)C)cc1 916310881 OPWWNPUAFQHVDY-UHFFFAOYSA-N 446.580 5.212 30 20 IKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1OCC(C)C 916884238 ULIABVSGRJERII-QGZVFWFLSA-N 448.491 5.006 30 20 IKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCCC(C)C 916897668 OPKTWOOYAPNSKE-SFHVURJKSA-N 428.916 5.043 30 20 IKED Cc1cc(CSc2ccccc2C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)on1 917046163 GOPXTDOEJLBHQF-MRXNPFEDSA-N 439.949 6.029 30 20 IKED COc1ccc(-c2nc(/C=C/C(=O)c3ccc(OCc4nccn4C)cc3)cs2)cc1 917517617 JPGVNMKIVALGAU-KPKJPENVSA-N 431.517 5.027 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCCC2)cc1 918446320 UOTRODVZHVNKHW-UIOOFZCWSA-N 437.543 5.328 30 20 IKED CCCOc1ccc(C=NOCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1OC 920398869 FTBKRKNHILIBRZ-UHFFFAOYSA-N 436.295 5.392 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3c[nH]c4cc(OC)ccc34)CCC2)cc1 1791244080 LDEGVBWUWIQEAC-SFHVURJKSA-N 445.563 5.065 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)Cc3ccccc3C(F)(F)F)CCC2)cc1 1791582408 VEOZALXHNZIVMU-UHFFFAOYSA-N 442.481 5.186 30 20 IKED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1 1803608272 QBHSKOLTLGIPRV-MZYLBHOOSA-N 447.689 5.038 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@H](CCC)n3cccc3)CC2)C1 1804858388 BSFVPBDFDZHUKN-QFIPXVFZSA-N 427.633 5.053 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCC2CCCC2)[C@@H]1c1cccnc1 1806205648 YYRKMLFXPZYJEW-UPVQGACJSA-N 425.617 5.050 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@H](CCC)n3cccc3)C2)CC1 1810935368 LMCRGIAOBHYVPF-QFIPXVFZSA-N 427.633 5.053 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(Cl)c2)[nH]n1 1814830109 PCJQYRZIGHPMQF-HXUWFJFHSA-N 426.948 5.137 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3occc3c2)n[nH]1 1818705651 BBUFANZREWMQAM-PZJWPPBQSA-N 432.524 5.230 30 20 IKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[nH]n1 1822396032 IXHKKAJHGMZQIB-UGKGYDQZSA-N 428.964 5.071 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCc3ccccc32)CC1 1824144918 MXXQXLHLMGSPNP-CLJLJLNGSA-N 434.624 5.105 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 1828822634 KYXOWRHSSGSCKM-ZEQRLZLVSA-N 443.031 5.271 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccsc3[nH]2)CC1 1828831647 WVONWZWXLMGLOC-IFMALSPDSA-N 439.625 5.231 30 20 IKED Cc1cc(Cl)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)c1 1830016523 ITFKWDUALSLMAK-XMMPIXPASA-N 449.982 5.067 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC12CN(C(=O)C1CCC(c3ccc(Cl)cc3)CC1)C2 1845977466 VRFFYUIHZIGSQL-LWEYNCJUSA-N 429.004 5.029 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)n1 20973855 FOPCNOMQYKSRLP-SNVBAGLBSA-N 433.377 5.419 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)nnc1-c1cccc(C)c1 21334009 KIRNORVBIOGHJR-GOSISDBHSA-N 448.592 5.398 30 20 IKED N#Cc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)cc1Cl 24952800 LTBMHJYFRSAFFD-UHFFFAOYSA-N 425.197 5.322 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(NCc2ccc(F)cc2)s1 28123045 GLFQKJKEGUKSKQ-AWEZNQCLSA-N 448.614 5.046 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccnc(Oc2ccc(OCC)cc2)c1 63402967 DTGVPGNOGOBJBD-UHFFFAOYSA-N 442.519 5.042 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H](Cc3ccc(C)cc3)C2)cc1 65373766 ZOGYWWPMMVICEN-QHCPKHFHSA-N 431.580 5.296 30 20 IKED C#CCCOc1ccc(CN[C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)cc1 237513323 LQJRGZGFAGNUEL-HXUWFJFHSA-N 430.523 5.260 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2CCCN(C(=O)c3ccc(C)cc3)C2)c1 303136576 CXLQEMLQZDVBBZ-HSZRJFAPSA-N 442.584 5.123 30 20 IKED N#CCCn1cc(CNCc2ccc(Sc3ccccc3)cc2)c(-c2ccncc2)n1 433324794 CNUUKROAAGYSJH-UHFFFAOYSA-N 425.561 5.300 30 20 IKED C[C@@H](CC#N)Sc1ccccc1N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 433727088 FLAVBKNQCQVCRZ-KBXCAEBGSA-N 435.471 5.197 30 20 IKED CCOc1ccccc1-c1nnc(SCCC(C#N)(c2ccccc2)c2ccccc2)o1 434642299 GMZFXPVYQMRERK-UHFFFAOYSA-N 441.556 6.127 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cnn1-c1ccccc1F 437461622 LIMNHPWZUYKCBR-UHFFFAOYSA-N 430.414 5.375 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(OCC4CC4)CC3)cc2Cl)cc1 437894326 XQYMKDNNAGMKQC-UHFFFAOYSA-N 425.916 5.427 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc(-c2cccc(F)c2)no1 438223214 DKHGUWWSLVNGQR-HNNXBMFYSA-N 443.438 5.422 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1F 438645418 DESZHVNADKJIKV-HSZRJFAPSA-N 435.430 5.234 30 20 IKED CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 438654038 YXFBDLDDMVNEDX-OAHLLOKOSA-N 432.455 5.331 30 20 IKED C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C[C@@H](c2ccccc2)O1 438666455 QNSNKVKJDPNEIP-XDHUDOTRSA-N 431.467 5.484 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(F)c(Br)cc1Cl 439622157 ZVHJJYOSZAHDTD-FZKQIMNGSA-N 436.712 5.545 30 20 IKED CCCOc1c(Br)cc(C(=O)N[C@H](CCC#N)c2ccccc2)cc1OC 439668204 APTOTOIEYHOANL-GOSISDBHSA-N 431.330 5.021 30 20 IKED N#CCSc1ccccc1NC(=O)CN1CCCC[C@@H]1c1ccccc1C(F)(F)F 439801910 SDOGJTBMYRBOJY-LJQANCHMSA-N 433.499 5.487 30 20 IKED N#CCC[C@H](NC(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1 440256220 ZPYKBOMPVNTMOA-IBGZPJMESA-N 444.482 5.673 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccccc1CS(C)(=O)=O)c1ccc(C(F)(F)F)cc1 442193444 IEVURKGGOLHKJI-SFHVURJKSA-N 440.487 5.079 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 443939263 KJLVYMMENTZPJM-INIZCTEOSA-N 448.514 5.454 30 20 IKED N#CCCN(C(=O)CN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccccc1 444740328 FVDVKYBFHXCDMX-SFHVURJKSA-N 443.391 5.235 30 20 IKED N#Cc1ccccc1Oc1ccc(N2C(=O)N[C@@H](c3ccc(Cl)c(F)c3)C2=O)cc1F 446157246 ILBXNBIBWOCGIY-FQEVSTJZSA-N 439.805 5.080 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnc(O)c(Br)c2)cc1Cl 460724000 YXZXYJZZTVFHIZ-INIZCTEOSA-N 442.700 5.111 30 20 IKED C[C@H](C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)c1cccc(C#N)c1 462031203 LPRFDWOKPQSQNS-HNNXBMFYSA-N 437.421 5.572 30 20 IKED Cc1nc(-c2cccc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c2)cs1 463117589 IERPPFKLEVHBBR-UHFFFAOYSA-N 439.540 6.016 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3Cc4ccc(O)cc4C4(CC4)C3)cc2F)c1 463743367 CHRXRKYUAIIPMA-UHFFFAOYSA-N 443.478 5.061 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2C[C@H](n3cccn3)Cc3ccccc32)cc1 464410908 XXSLQJJODOVLTB-HXUWFJFHSA-N 438.462 5.130 30 20 IKED N#CCCCOc1cccnc1NC(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1 466617597 BTPRCQJOZGFMPC-HSZRJFAPSA-N 426.520 5.138 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cc1 467410307 GBIDIQUSGKMFRY-SFHVURJKSA-N 440.503 6.199 30 20 IKED C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 470553047 HRPZUQVTGHYBMK-SBUREZEXSA-N 434.515 5.024 30 20 IKED Cc1c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cccc1NC(=O)N(C)C 473551673 LDOWQODCKXPUMH-UHFFFAOYSA-N 444.560 5.505 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1 474636528 VDNBSFIXWMEJDW-MRXNPFEDSA-N 447.526 6.511 30 20 IKED N#CC[C@H](CC(=O)N(CCCn1ccnc1)Cc1c(F)cccc1Cl)c1ccccc1 475905524 LAZZLOOMWHENFQ-HXUWFJFHSA-N 438.934 5.182 30 20 IKED Cn1ccnc1[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1cccc(F)c1 479512328 MKEKICOUYOPJJN-QHCPKHFHSA-N 442.519 5.101 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N(CCC(F)(F)F)Cc1ccccc1 479734564 NLAZTVWNMBZARX-KRWDZBQOSA-N 436.371 5.983 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 480072129 OHWITFIEVVBFSL-YGOYIFOWSA-N 442.584 6.402 30 20 IKED C=CCn1c(SC[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)nnc1-c1ccccc1C 480419131 QXTQIEGDLZDHLX-PXNSSMCTSA-N 444.000 5.324 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CCSc4ccccc43)cc2F)c1 481708495 ARBWKISICYDDLX-OAQYLSRUSA-N 433.508 5.635 30 20 IKED CCC[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 482420182 ICYAAEYQRLGRCA-VWLOTQADSA-N 441.531 5.125 30 20 IKED N#CCCC[C@@H](NC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1)c1ccccc1 487457501 ZWSBAAJYKXBHLE-LJQANCHMSA-N 444.318 5.725 30 20 IKED C=CCn1c(S[C@@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)nnc1-c1cnccn1 488881519 OSFUZNVWLHAMMW-HSZRJFAPSA-N 441.560 5.254 30 20 IKED CC(C)(C)c1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)N2CCC(C#N)CC2)cc1 489412168 WHKKIPRTZSDNCK-RELWKKBWSA-N 449.598 6.395 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Cl)nnc1-c1cccc(Cl)c1 489640300 QIVWHUOMIIVZSQ-CYBMUJFWSA-N 433.364 5.557 30 20 IKED Cc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C)n1-c1nccs1 490649029 LJDMSQOICXGBGD-UHFFFAOYSA-N 442.544 5.448 30 20 IKED CCN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)c(OC)c1)CCC2 492093600 GNKFGEDCIRTWCI-MNDPQUGUSA-N 441.531 5.115 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 492176311 ACNSGCMNIOTTLB-CQSZACIVSA-N 437.491 5.165 30 20 IKED C[C@@H](c1ccco1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 496334609 VZNMMWCAPRBAMQ-LBPRGKRZSA-N 434.443 5.442 30 20 IKED N#CCCCS(=O)(=O)c1ccc(C(=O)N(CC2CCCCC2)CC2CCCCC2)cc1 498362641 YPCNAILZJPNMGT-UHFFFAOYSA-N 444.641 5.367 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 501130877 YMPHCHKLTRITBQ-UHFFFAOYSA-N 434.502 5.149 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)c(C(F)(F)F)c1 501484647 XDEOEHGORGYQBY-AWEZNQCLSA-N 449.498 5.065 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 501855442 GYCGQPCYAJLGHE-LJQANCHMSA-N 429.520 5.159 30 20 IKED CCCOc1c(Cl)cc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1OCC 504751297 SREPHOJOHBNKJW-UHFFFAOYSA-N 442.943 5.083 30 20 IKED CC[C@H](C)n1c(SCC(=O)N[C@@H](C#N)c2ccccc2Cl)nnc1-c1ccccc1 505638941 OZBGLDYYLUAXDM-KXBFYZLASA-N 439.972 5.043 30 20 IKED N#C[C@H](NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1Cl 505708108 WPBYKYMECFZBNA-KRWDZBQOSA-N 435.858 5.406 30 20 IKED COc1ccc([C@H](NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c2ccccc2OC)cc1 506680384 UMDBOTRIIAQTKT-SANMLTNESA-N 443.547 5.285 30 20 IKED Cc1cccc(C(=O)N[C@@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C(C)C)c1 511563215 OAUZUSBNXPMWMJ-RUZDIDTESA-N 441.531 5.361 30 20 IKED N#CCCn1cc(CN(CCCO)Cc2ccc(Cl)c(Cl)c2)c(-c2ccccc2)n1 511625644 KHRRIKRTYBPDRH-UHFFFAOYSA-N 443.378 5.155 30 20 IKED Cc1nc(-c2cccs2)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 512502443 AHKMBFDRYJICJH-HNNXBMFYSA-N 432.555 5.665 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCOCc2ccc(Cl)cc2)cc1 514047932 QNICBGIJYXJJAH-UHFFFAOYSA-N 436.964 5.451 30 20 IKED C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccc(Br)cc1 515218765 QZWZOVDYHYGMOQ-CYBMUJFWSA-N 441.354 5.251 30 20 IKED Cc1ccc([C@@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)N2CCCC2)o1 517529573 HGAWIBZYJNBNLJ-HSZRJFAPSA-N 430.508 5.211 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1 517605590 MEPOQWQCXNRHDY-QFIPXVFZSA-N 436.298 5.439 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc1 518039329 UFUCNDXPLHQVEY-IBGZPJMESA-N 436.508 5.373 30 20 IKED Cc1cccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c1I 518240374 XGMJFZNKKKDVBP-CYBMUJFWSA-N 436.318 5.246 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3OCc3cscn3)cc2)cc1 520559630 IHYYUAGZJGHIOK-UHFFFAOYSA-N 427.485 5.638 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1cccc(C(F)(F)F)c1 521733340 FOIYAJLKHBRPJQ-UHFFFAOYSA-N 432.389 5.911 30 20 IKED N#CCCN(C(=O)CCC(=O)N(Cc1ccccc1Cl)C1CCCC1)c1ccccc1 521859144 FTYGDYOZZZPLAI-UHFFFAOYSA-N 437.971 5.338 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCC2(Sc3ccccc3)CC2)cc1 521876575 LGDMJMBSXUZCQU-UHFFFAOYSA-N 443.572 5.778 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)c1 521935820 GNTNQURFHFGBPB-UHFFFAOYSA-N 427.476 5.072 30 20 IKED CC[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(C)cc1 522501253 USQQMDVCKJWSNQ-UPVQGACJSA-N 445.950 5.510 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F 524565952 KSWWBUJZPXJZHZ-JXFKEZNVSA-N 447.526 6.716 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1 524708354 GXMDERCVYAAVAZ-UHFFFAOYSA-N 429.867 5.350 30 20 IKED Cc1nc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)sc1SCC#N 530861430 QYADQZCFVMNFHD-UHFFFAOYSA-N 429.552 5.025 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 533998291 KTJYILWCOUVJHL-KXBFYZLASA-N 447.507 5.288 30 20 IKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(C)n2[C@H]2CCC[C@@H](C)C2)ccc1Cl 534606485 YJDMYZYJHBDYNQ-BEFAXECRSA-N 446.020 5.339 30 20 IKED CC(C)c1cc(Br)ccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 535538834 NSICSMFYJSGJLG-UHFFFAOYSA-N 442.357 5.519 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)c3cnn(C(C)C)c3n2)s1 538578264 FXVDRZPCRGXIEI-MRXNPFEDSA-N 449.605 6.119 30 20 IKED COc1ccc([C@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)c2c[nH]c3ccccc23)cc1 539689702 PPZQPPFXISKBGP-DEOSSOPVSA-N 435.527 5.294 30 20 IKED CC(C)c1nc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)no1 541193221 DQFAXCJWPMNZDL-LBPRGKRZSA-N 435.290 5.624 30 20 IKED N#CCC1CCN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CC1 541967423 NWJRZTNXDOIZTO-UHFFFAOYSA-N 446.866 5.015 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@H](CSc4ccccc4)C3)n2)c(Cl)c1 542959483 XNMBXPSQAJMBEH-KRWDZBQOSA-N 437.956 5.043 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 548828184 WCJRCQRZTYFAGL-VQTJNVASSA-N 442.485 5.003 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](C)Cc2cnc3ccccc3n2)cc1 565723478 YXZBUDYKNLZVPW-QGZVFWFLSA-N 438.487 5.120 30 20 IKED N#CCCC[C@@H](NC(=O)C(=O)Nc1cc(F)ccc1Oc1ccccc1)c1ccccc1 566988886 OBSHPZVVZRFVNV-OAQYLSRUSA-N 431.467 5.108 30 20 IKED C=CCC[C@@H](NC(=O)NC1CCN(CC(F)(F)F)CC1)c1ccc(C(F)(F)F)cc1 572161063 VESPJAROXFCCSG-QGZVFWFLSA-N 437.428 5.039 30 20 IKED CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 573292297 XRZGXDRGZWOQLX-UHFFFAOYSA-N 449.514 5.862 30 20 IKED Cc1c(C(=O)N2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@@H]32)sc2ccc(C#N)cc12 594641495 YNRRDGGITSHIAC-KAMZKSLDSA-N 441.600 5.064 30 20 IKED C=CCc1cc(CN[C@@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)cc(OC)c1O 603513983 RWBYRGVNXAUOPP-HXUWFJFHSA-N 436.577 5.429 30 20 IKED COC(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 603613661 JNEUWFAJBUVEGL-OAHLLOKOSA-N 431.300 5.394 30 20 IKED COc1cc(C(=O)Nc2sccc2C#N)ccc1OCc1ccc(Br)cc1 603728884 VYSVOKDDJJQBOL-UHFFFAOYSA-N 443.322 5.222 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(OCC(F)(F)F)cc1 603739085 PAPVKNCAJQMFSP-UHFFFAOYSA-N 427.382 5.247 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)CCOCc3ccccc3)s2)c(C(F)(F)F)c1 604112250 CWHKGRLAESNQMI-UHFFFAOYSA-N 445.466 5.170 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)c1ccc(NC(=O)CSc2cccs2)cc1 604940555 YZQGDKKKILFCRE-UHFFFAOYSA-N 440.565 5.446 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 606770580 WSWAAAUCWWXQTR-UHFFFAOYSA-N 438.833 5.068 30 20 IKED Cn1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(-c2cccnc2)n1 609163885 BNVJBUJHINEDAJ-HXUWFJFHSA-N 427.895 5.043 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 609377438 VFWXYEYZDCEEDO-CVDCTZTESA-N 443.572 5.438 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCc2[nH]c3ccc(Cl)cc3c2C1 609385454 NDGLLJQZCIARFR-OAHLLOKOSA-N 438.984 5.070 30 20 IKED N#CCc1cccc(C(=O)N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c1 609446763 QLMCTOCJEZTXLT-VWLOTQADSA-N 444.579 5.082 30 20 IKED COc1cc(C[S@](=O)Cc2ccc3c(c2)CCC3)ccc1OCc1cccc(C#N)c1 609743050 QDDARTRLIZIVGM-WJOKGBTCSA-N 431.557 5.083 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)s2)cc1 610053905 XAQVDDQENHFMQU-UHFFFAOYSA-N 443.532 5.054 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl 610196106 NLCJFOUYZQHXJG-UHFFFAOYSA-N 428.920 5.171 30 20 IKED C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618449000 DFRDNWBIGMMGTD-USWWRNFRSA-N 436.318 5.095 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)N[C@@H]3CCc4cc(C#N)ccc43)s2)cc1 618847587 JATRWUDSQWQINR-HTAPYJJXSA-N 430.577 5.689 30 20 IKED CC(C)c1c(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cnn1-c1ccc(C(F)(F)F)cn1 677557807 QXXKACSKRDZXJR-KRWDZBQOSA-N 449.436 5.448 30 20 IKED Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 679239458 ZRHWJRKQXOZMKU-GFCCVEGCSA-N 429.448 5.636 30 20 IKED O=C(N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 682204138 KMZHQEAOKBGXRQ-CHWSQXEVSA-N 449.313 5.107 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl 726754970 XEWBEBAYAJVYLC-AWEZNQCLSA-N 430.360 5.609 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccc(C(C)C)cc3)o2)cc1 727268555 QCSQQIRTGPYETC-GOSISDBHSA-N 434.565 5.596 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(-n4nccn4)cc3C(F)(F)F)c2)cc1 728466538 UCHRWOROSIDMMH-UHFFFAOYSA-N 449.392 5.202 30 20 IKED O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 729877889 DISXLNHIASZDJE-MRXNPFEDSA-N 436.327 5.224 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1nc3cc(F)ccc3s1)O[C@@H](C)C2 730695313 HFXOMECTWWNKDE-OYYDLILQSA-N 436.508 5.137 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 731079896 ZHYNICJWIZNIMW-ZTFGCOKTSA-N 428.941 5.020 30 20 IKED C=CCn1c(SCc2ccc(OCC#N)cc2)nc2scc(-c3ccccc3)c2c1=O 731156186 NBSPVXRXWFPPMI-UHFFFAOYSA-N 445.569 5.506 30 20 IKED CC(C)CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc2ccccc12 731304444 ORAVGWNZJNUOLN-QFIPXVFZSA-N 447.560 5.162 30 20 IKED N#CCSc1ccccc1C(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 731649363 LOWHNUCTPZRJOP-UHFFFAOYSA-N 442.544 5.145 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)[C@H]1C[C@H]1c1ccccc1Cl 733080120 FOVLEAXLZPHQPZ-CVEARBPZSA-N 431.849 5.802 30 20 IKED CSc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccc(COc2ccccc2C#N)c1 734201072 OZSMSWKXURMJRJ-QGZVFWFLSA-N 446.528 5.043 30 20 IKED CC[C@@H](C)n1c(SCC(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)nnc1-c1ccccc1 735790928 SIZNCNUAHNJWSY-SJLPKXTDSA-N 444.564 5.069 30 20 IKED CC(=NN=c1cc(C(F)(F)F)[nH]c(-c2ccncc2)n1)c1cc(Cl)sc1Cl 735979106 XVALSNQNXKGPGH-UHFFFAOYSA-N 432.258 5.184 30 20 IKED CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccccc1 739749215 DQYXRUHDEDEADI-JOCHJYFZSA-N 447.560 5.169 30 20 IKED Cc1cc(/C=C/C(=O)c2c(F)cccc2N2CCOCC2)cc(C)c1OCc1ccccn1 741446867 APQOQRDYLCEVCB-MDZDMXLPSA-N 446.522 5.149 30 20 IKED Cc1ccccc1CN(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)Cc1ccccc1 746156238 GEYNQIULXJKLKV-DEOSSOPVSA-N 432.527 5.235 30 20 IKED CCOc1ccc(-n2c(-c3cccc(Cl)c3)nn(CN(C)C[C@@H](C)C#N)c2=S)cc1 746706253 JUPFNIDQYSDORU-INIZCTEOSA-N 441.988 5.171 30 20 IKED Cc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1N1CCOC1=O 746720692 ICUYBRMHQKGNQJ-UHFFFAOYSA-N 428.448 5.260 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1Br 747108209 FRHBRQDFOZSMFO-LBPRGKRZSA-N 426.097 5.026 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(COC(=O)c2ccc(C#N)cc2C)cs1 748396184 VRUFAFDVQMPUFM-UHFFFAOYSA-N 425.897 5.018 30 20 IKED CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 748936529 KGUSXNGYRHGBLL-AREMUKBSSA-N 443.547 5.228 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1cc(C)c(F)cc1F)[n+]1ccc(C(CC)CC)cc1 748996147 SKOOBCIXXYEIGS-UHFFFAOYSA-O 431.572 5.841 30 20 IKED C=CC[C@H](NC(=O)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1)c1ccncc1 749726941 RZMQOZCHSYJBJD-FQEVSTJZSA-N 442.544 5.039 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1C#N 752185143 NHIFTQGTCDBWSR-JOCHJYFZSA-N 439.475 5.426 30 20 IKED CC(C)(C)OC(=O)N1CCc2c(NC(=O)c3ccccc3-c3ccccc3C#N)cccc21 753779559 FGHALZLJWGEFNC-UHFFFAOYSA-N 439.515 5.775 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 758585027 DKROLJQZWDPOBG-PZJWPPBQSA-N 447.491 5.072 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 758600677 COLBYKZPPQJXRQ-QPPBQGQZSA-N 445.519 5.159 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)cc1F 758620758 RAGGFRKWBAEYML-AZUAARDMSA-N 435.455 5.203 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1c(Cl)cc(F)cc1Cl 763541447 OUEWUYRIIIKXJS-LLVKDONJSA-N 441.311 5.180 30 20 IKED N#Cc1cc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c(Cl)c([N+](=O)[O-])c1 764315250 NJYORVNBDVZLQV-UHFFFAOYSA-N 436.786 5.175 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)c1=S 767498035 CUOUAZIHASTONG-SFHVURJKSA-N 445.514 5.128 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@H](NCc1cc(Cl)ccc1OCC#N)C(F)(F)F 768741641 PBPPDFHAEYGARB-NRFANRHFSA-N 448.876 5.438 30 20 IKED C[C@@H](C#N)Oc1ccc(CN2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1 768802635 UENHDMFVFIJQJW-BTYIYWSLSA-N 432.351 5.277 30 20 IKED Cc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c(Br)c1 774004270 AKAXKGXEUDKDIM-MRXNPFEDSA-N 426.339 5.085 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC=C(c3ccc(Cl)nc3)CC2)cc1 774023959 RVIZUNOHMMNRLC-HSZRJFAPSA-N 428.923 5.712 30 20 IKED O=C(/C=C/c1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1c(Cl)nc2sccn12 777466648 CFVCWNWDPIRXIE-ZZXKWVIFSA-N 436.846 5.209 30 20 IKED Cc1nc(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)[nH]c1-c1ccccc1 777586837 POCWGXSOSIPAJB-GOSISDBHSA-N 430.558 5.477 30 20 IKED CCc1noc(C2CCC(=NNc3nnc(-c4ccccc4)n3-c3ccccc3)CC2)n1 778538681 UKXCUAQHPWWAFN-UHFFFAOYSA-N 427.512 5.005 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cc(Br)ncc3Cl)c2)c1 779600713 RHZNRTCJKJYXQA-UHFFFAOYSA-N 442.700 5.200 30 20 IKED Cc1ccc2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)c2c1 780326730 BMXYVHWVTNZTKQ-JOCHJYFZSA-N 446.535 6.219 30 20 IKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)Nc1ccccc1O[C@@H](C)C#N 780495694 AZTPTUIVELDHCR-KRWDZBQOSA-N 429.480 5.574 30 20 IKED Cc1nc2c(s1)[C@H](NC(=O)Nc1ccc(OCc3cccc(C#N)c3)cc1C)CCC2 780555797 WZDVNLWSJRCRSE-JOCHJYFZSA-N 432.549 5.410 30 20 IKED C[C@@H](NCc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(-c2cccc(C#N)c2)cc1 782525157 XSBUJSKGXSHDKO-MRXNPFEDSA-N 426.488 5.072 30 20 IKED Cc1cscc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccsc1 783060903 GWGWUTCUHGBCRI-GOSISDBHSA-N 441.603 5.279 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@@H](C#N)C(=O)NCc3cccc(Cl)c3)c3ccccc3n2)o1 786532102 YOGWNKWVVVMZLX-HXUWFJFHSA-N 443.890 5.096 30 20 IKED COc1cc(C(=O)/C=C/c2cn(CCC#N)nc2-c2ccncc2)ccc1SC(F)F 788356754 VULFLBNIOAQRLE-HWKANZROSA-N 440.475 5.078 30 20 IKED N#C[C@@H](C(=O)C1(c2ccccc2Br)CC1)c1nc2ccccc2n1C(F)F 789349343 WHUBXRBGVFCTFR-LBPRGKRZSA-N 430.252 5.102 30 20 IKED CO[C@@H]1CCOc2c(N=Cc3cc(Br)cc(Br)c3O)cccc21 790598153 JINCEEATDYSEPF-OAHLLOKOSA-N 441.119 5.138 30 20 IKED N#C[C@H](C(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1nccc2ccccc12 792095239 VMCLEIZXJDCTQD-CPJSRVTESA-N 430.866 6.024 30 20 IKED N#Cc1cccc(COc2ccc(NC(=S)NCCCCC(F)(F)F)cc2F)c1 794978775 WPKHDDVORJIDCI-UHFFFAOYSA-N 425.451 5.295 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1 796779428 MEZNMNLZPUVIHZ-HNNXBMFYSA-N 425.504 5.199 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 797547302 HVAWALNGLZASPA-HNNXBMFYSA-N 437.286 5.174 30 20 IKED CCOC(=O)c1cccc(NC(=O)c2cccc(NCc3ccc(O[C@H](C)C#N)cc3)c2)c1 811519635 ZHYGOGZDGPVYSL-GOSISDBHSA-N 443.503 5.019 30 20 IKED N#Cc1cc(C(=O)OCc2coc(-c3ccc(C(F)(F)F)cc3)n2)cnc1C(F)(F)F 815478490 WUQRVSALVXBAOP-UHFFFAOYSA-N 441.287 5.003 30 20 IKED CON=Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H](C)c2cccc(NC(C)=O)c2)cc1 841839050 LKRZTDKWYNMCLQ-IBGZPJMESA-N 429.520 5.029 30 20 IKED C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915352561 MFMQRJYTEFFAMC-DFBJGRDBSA-N 436.519 5.148 30 20 IKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CCc2ccccc2)C1=O)Nc1ccccc1F 916206184 XRBRAPZJLSVWAG-JOCHJYFZSA-N 447.535 5.029 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3sc4ccccc4c3s2)cc1OC 916934849 ZPPBVIIKGZOVIW-CQSZACIVSA-N 436.514 5.094 30 20 IKED Cc1nc(COc2cccc(C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)c2)cs1 920102514 UAJMVWXYQNUADB-FQEVSTJZSA-N 429.501 5.026 30 20 IKED N#CCCN(C(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc2c(c1)OCCO2 920974142 PZGNQRMLDJTLBR-UHFFFAOYSA-N 435.483 5.233 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccccc3N)CCC2)cc1 1786103896 OQVYOAPUTHRWFE-SFQUDFHCSA-N 429.564 5.185 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(F)cc(F)c4)cc3)CCC2)cc1 1790331362 MVXNRMJQMHHULN-UHFFFAOYSA-N 445.469 5.092 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C(C)C)cc3)CCC2)cc1 1790566104 RRXYJPXDLVDQMQ-LJQANCHMSA-N 435.568 5.359 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)c(F)c3)cc2)CCC1 1790614933 USNTXABKBNMZJY-UHFFFAOYSA-N 432.948 5.146 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)oc3C(F)(F)F)CCC2)cc1 1791247475 YOOGKJGNIQGJPO-AWEZNQCLSA-N 434.458 5.567 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCCC3(F)F)CCC2)cc1 1791298952 IXGRMKAUATVWPI-KRWDZBQOSA-N 426.454 5.157 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2occ(Cl)c2c1 1799326523 SHOKQDJWVRPZIG-RDGPPVDQSA-N 426.944 5.106 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccnc1 1810503922 WRPQLEVYKVUEIT-ISKFKSNPSA-N 433.596 5.010 30 20 IKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1 1813227548 GLEMESJGFOKVGE-BVAGGSTKSA-N 439.644 5.278 30 20 IKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4ccccc34)n[nH]2)c1 1818453570 ZDMYPPGRCCYUSF-DEOSSOPVSA-N 449.514 5.054 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccccc3o2)n[nH]1 1818627414 YXSHQUWONRUIFO-IBGZPJMESA-N 434.540 5.454 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 1824143595 NWRUZHMADLWKGG-SANMLTNESA-N 447.623 5.099 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)CC1 1828829328 ZYMVVQMOCNFDRR-JYFHCDHNSA-N 447.623 5.478 30 20 IKED Cc1cc(C)cc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(CO)c2)c1 10172633 CAWJYRAQLPRDJC-UHFFFAOYSA-O 433.597 5.258 30 20 IKED Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3SCC#N)s2)c1C 21174651 XGTREAFXUKLSSD-UHFFFAOYSA-N 441.607 5.245 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(SC(F)F)cc2)nnc1-c1ccoc1C 21924712 SKXXMSVWDDSTRW-UHFFFAOYSA-N 436.509 5.078 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(C)cc2)cc1 22730949 JLHLSJQKNUNWAY-UHFFFAOYSA-O 437.654 6.607 30 20 IKED COc1cccc([C@@H](CNc2ccc(C#N)cc2[N+](=O)[O-])c2c[nH]c3ccccc23)c1OC 32533909 FRXBWFBGZZWHIT-HXUWFJFHSA-N 442.475 5.209 30 20 IKED CCOC(=O)C1C/C(=C/c2ccc(O)c(Cl)c2)C(=O)/C(=C/c2ccc(O)c(Cl)c2)C1 60378438 IYUYNVLOICPSCE-BSHIDLADSA-N 447.314 5.414 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1cc2ccccc2n1Cc1ccccc1F 72086269 PBUFTBQHJHZTQE-UHFFFAOYSA-N 428.467 5.159 30 20 IKED C=CCn1c(SCC(=O)N2CCc3sccc3[C@H]2CC)nnc1-c1cccc(C)c1 217156710 ZUTAUWDESVDWBX-LJQANCHMSA-N 438.622 5.129 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 303542289 YRSLNHYIODYDOW-PMACEKPBSA-N 437.421 5.815 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccncc1)Cc1cccnc1 303650841 UEEHIUMEWDXJDU-UHFFFAOYSA-N 449.514 5.683 30 20 IKED CCOc1c(Br)cc(CNc2cccc(OCC#N)c2)cc1Br 319804053 HVZSXOSPXIOFDX-UHFFFAOYSA-N 440.135 5.125 30 20 IKED C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)Nc1ccccc1SCCC#N 426280976 ADHQPTMBGIDHOC-AWEZNQCLSA-N 427.982 6.013 30 20 IKED C[C@@H]1C[C@H](NC(=O)c2ccccc2Sc2ccccc2C#N)CCN1Cc1ccccc1 430662628 ILGDULWOWBPVEJ-NFBKMPQASA-N 441.600 5.492 30 20 IKED Cc1c(C#N)cccc1NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 432833164 VGQCHKQUMKOLEI-UHFFFAOYSA-N 434.293 5.134 30 20 IKED C/C(=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1nc(=O)c(C#N)c(C)[nH]1 435337873 ZCFZKIOEZMJVIF-WQLSENKSSA-N 439.302 5.070 30 20 IKED CC(C)Oc1ccc(NC(=O)C(=O)N(Cc2ccccc2)[C@H](C)c2ccccc2)cc1C#N 435500673 LWRINUAPKXTGOX-HXUWFJFHSA-N 441.531 5.074 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(-c4ncc5n4CCCC5)c3)cc2)nc1 436163099 UZRMZBYOLNZILO-UHFFFAOYSA-N 435.487 5.198 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1F 437461118 PMZMVBHWYYCDNW-UHFFFAOYSA-N 434.452 5.172 30 20 IKED Cc1ccc(NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1OCCC(C)C 441175760 QQOWLQVYSYYNMS-QGZVFWFLSA-N 439.581 5.249 30 20 IKED CCOc1c(F)cccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 442675528 ZISSPOQTMHGTGK-CQSZACIVSA-N 435.307 6.145 30 20 IKED C=CCCc1ccccc1NS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 443413590 APIAVQBGZTWGFD-UHFFFAOYSA-N 431.451 5.023 30 20 IKED Cc1cnccc1OC1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 446150694 AHIOJASOUUASCJ-UHFFFAOYSA-N 428.492 5.129 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H]1c1csc(C)n1 460369945 OBCGNCASHLNVNU-MGPUTAFESA-N 444.004 5.754 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(c2ncc3n2CCCC3)CC1 460771471 VTYQGIXTLYLGMB-UHFFFAOYSA-N 436.991 5.091 30 20 IKED N#CCCCOc1cccc(CNc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)c1 464072323 RRHHDINDYZGSCP-UHFFFAOYSA-N 437.902 6.026 30 20 IKED C[C@H]1CCCN1CC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccccn1)CC2(C)C 464837059 WZRWZHURFXOZQH-IBSYWUHOSA-N 432.593 5.216 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)c1 467408556 XQRVYMWHNUFIFI-FQEVSTJZSA-N 434.584 5.344 30 20 IKED CC[C@@H](NC(=O)Nc1ccc(F)cc1OCC(F)(F)F)c1nc(C(F)(F)F)cs1 467692105 RBULQTNZMWZLRZ-SECBINFHSA-N 445.360 5.515 30 20 IKED Cc1nc(-c2cc([C@H](C)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)cs2)cs1 468932033 JBJFAVKRQBFGQH-HNNXBMFYSA-N 436.606 5.936 30 20 IKED COc1cc(CNC(=O)c2cn(CCCC#N)c3ccccc23)ccc1OC1CCCC1 469146875 YYZAVPOSLAGVCJ-UHFFFAOYSA-N 431.536 5.205 30 20 IKED CCCc1c(NC(=O)c2cn(CCCC#N)c3ccccc23)cnn1-c1cccc(C)c1 470350150 SSPYJAGXUWXUNL-UHFFFAOYSA-N 425.536 5.644 30 20 IKED Cc1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1C(=O)N(C)C(C)C 470443739 AOSZYPHLCMCLHF-UHFFFAOYSA-N 441.531 5.178 30 20 IKED N#C[C@H](C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)c1nc2cc(Cl)ccc2s1 472374346 NMBNEYUZDAQTQW-CQSZACIVSA-N 446.841 5.644 30 20 IKED Cn1ncc(C(=O)NC[C@@H](c2ccccc2)c2c(-c3ccccc3)[nH]c3ccccc23)c1C#N 474591196 GJTMJJCZVRJTJE-QFIPXVFZSA-N 445.526 5.002 30 20 IKED C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)CCC(=O)N(CCC#N)c1ccccc1 474896493 ZSJDUQXFXDTVIX-RTBURBONSA-N 425.960 5.017 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2CC)cc1 475117802 MKUQCWIJQYAMOG-UHFFFAOYSA-N 449.938 5.624 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(Cc2ccc(OC)c(F)c2)CC1 475551307 VRXISYJYAVOTIO-UHFFFAOYSA-N 425.548 5.036 30 20 IKED CSc1nc(C2CC2)cc(-c2nc(-c3cccnc3Oc3ccccc3)no2)c1C#N 481913096 CYPTVVVXCCLFRG-UHFFFAOYSA-N 427.489 5.457 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCc3c(F)cc(F)cc3C2)cc1 482973206 CZHFMAQXRHPTDF-UHFFFAOYSA-N 433.458 5.200 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 483358610 MXUONSNNSWKPMF-SFLYRZDNSA-N 448.636 5.457 30 20 IKED Cn1cc([C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C(C)(C)C)cn1 483473727 USINJRVFCCHWPV-UNMCSNQZSA-N 435.959 5.638 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(C3CC3)cc2)cc1Cl 484335689 FOFXJSSUKJLKBB-QHCPKHFHSA-N 443.934 5.128 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(C(=O)Nc4cccnc4)cc3)c2)cc1 484782263 ZIZAQYVSHXVLHW-UHFFFAOYSA-N 434.455 5.250 30 20 IKED N#CCCC[C@H](NC(=O)Cc1csc2ccc(Br)cc12)c1ccccc1 487453037 BOQILICCXHQXQH-IBGZPJMESA-N 427.367 5.758 30 20 IKED N#Cc1ccc(C(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)s1 487740861 PJSPFXYXPXKVQZ-UHFFFAOYSA-N 435.892 5.759 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1 487844286 QXFDDEUUUQYOFQ-IAGOWNOFSA-N 426.360 5.272 30 20 IKED C=C(C)COc1cc(/C=C2\CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)ccc1OC 489028318 SGACXHJSUHIKPR-MHWRWJLKSA-N 442.437 5.323 30 20 IKED N#C[C@H](NC(=O)CCC(=O)c1csc2ccccc12)c1cccc(Br)c1 496227088 RXXKOCAVSWPQEQ-KRWDZBQOSA-N 427.323 5.008 30 20 IKED COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2sc(C)c(C)c2C#N)cc1 498703026 SOYTUROOZSTVLE-UHFFFAOYSA-N 442.544 5.409 30 20 IKED O=C(Nc1cc(C(F)(F)F)cnc1O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 499541191 AIPMZXKLKSGLMZ-UHFFFAOYSA-N 444.306 5.883 30 20 IKED C=CCCc1ccccc1NC(=O)C(=O)N(C)[C@H](c1ccncc1)c1ccc(Cl)cc1 504455696 LPZCPHWHQBBGCZ-QHCPKHFHSA-N 433.939 5.040 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 508078113 FMLCVTZUAYSIAA-UHFFFAOYSA-N 425.920 5.321 30 20 IKED CC(C)N(Cc1ccc(F)cc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 509259695 IFGZHMLKFJTZNX-UHFFFAOYSA-N 441.557 5.284 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1Cl 510005502 NLTLTPJDJIAQNL-NRFANRHFSA-N 449.898 5.137 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](C)N1CCc2sccc2C1 510746832 MTDITGJGZRQMAG-SFHVURJKSA-N 446.576 5.289 30 20 IKED Cc1ccc(-c2csc(NC(=O)[C@H](c3ccccc3)N3CCC(F)(C#N)CC3)n2)cc1 510969789 RHTWYJVWVSTPEO-NRFANRHFSA-N 434.540 5.126 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)cc1 512541114 RCRLMZSCGHCMOK-UHFFFAOYSA-N 446.488 5.042 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1 512801324 DYKSASRDRBRXOK-UHFFFAOYSA-N 430.483 5.152 30 20 IKED CSC[C@@](C)(C#N)NC(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12 515169740 UTMJXQJELCEMFG-HSZRJFAPSA-N 425.985 5.037 30 20 IKED COc1cnc(NC(=O)c2ccccc2Sc2ccccc2C#N)c(Br)c1 516558731 DHYCNYLUBZVBBY-UHFFFAOYSA-N 440.322 5.128 30 20 IKED CCN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@H](C)c1cc2ccccc2o1 516659794 JGYDOVIJPVIQPH-MRXNPFEDSA-N 430.533 5.967 30 20 IKED CN(Cc1csc(Br)c1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 517531334 BDRVVLQWGMHVNQ-UHFFFAOYSA-N 442.338 5.838 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)c(C)c1 518255985 LZNVPLOPDMHWRI-IBGZPJMESA-N 435.593 5.825 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 518738838 BFTOKNZLCANUTM-HNNXBMFYSA-N 425.941 5.961 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1[nH]c2ccc(Br)cc2c1Cl 520187849 IWSMGJANUQUUSC-NSHDSACASA-N 448.773 6.230 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 520196991 NBSYOLYEXQKSEM-YWZLYKJASA-N 439.972 5.379 30 20 IKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 520560414 OOXSKGOOVDPHFH-GOSISDBHSA-N 445.544 5.358 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NC[C@H]3CCCO[C@H]3c3ccccc3)c2)cc1 520601583 YXQRXCGCTJPVHO-BWKNWUBXSA-N 427.504 5.640 30 20 IKED C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 521799786 BWIYCXYWCZXHRF-INIZCTEOSA-N 449.507 5.189 30 20 IKED CCN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H](C)c1cccc(C(F)(F)F)c1 522702333 LKSIHRVFCINQKJ-GFCCVEGCSA-N 427.373 5.793 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)Nc3ccncc3C#N)cc12 522718731 IRDLJPIRUWDLEP-UHFFFAOYSA-N 442.331 5.280 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)N(C[C@@H](C)C#N)C1CC1 532818954 YPWVHNBOVVTYGZ-INIZCTEOSA-N 433.531 5.888 30 20 IKED CC(C)N(CCc1nccs1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 533131673 UWPLTLLJJTZSKV-UHFFFAOYSA-N 434.565 5.273 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 533998289 KTJYILWCOUVJHL-DNVCBOLYSA-N 447.507 5.288 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1 535291561 DULFALCAUNKUQR-GOSISDBHSA-N 429.545 5.467 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N[C@@H]2CCOC3(CCSCC3)C2)cc1Cl 535601876 HUYRHXJPFGNCNR-GOSISDBHSA-N 442.968 5.179 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(-c4cccnc4)nc4ccccc34)n2)cc1 536204511 POEOBMADMKUGPW-JOCHJYFZSA-N 446.535 6.219 30 20 IKED CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 538337247 KAKSEWGKVLNMTC-BXKMTCNYSA-N 434.536 5.496 30 20 IKED O=C(Nc1cc(C(F)(F)F)cnc1O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 539448027 BEBLJUJIPFYRCG-LLVKDONJSA-N 447.257 5.250 30 20 IKED Cc1c(NC(=O)[C@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cccc1[N+](=O)[O-] 542004129 CKKWJRHRXOKFIJ-ROUUACIJSA-N 428.492 5.120 30 20 IKED CCC(C)(C)OCc1ccccc1NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 542715759 HGDLPRZVXOOOFL-UHFFFAOYSA-N 435.568 5.775 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CC[C@@H](CSc3ccccc3)C2)n1 543888538 RAGMJMAUXIEFFK-MRXNPFEDSA-N 437.956 5.043 30 20 IKED CC(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1Cl 543964952 UKJVLADQACJOHI-UHFFFAOYSA-N 435.886 5.788 30 20 IKED N#CCCn1ncc(C(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)c1-c1ccccc1 552794380 ZDMYLPWECVKVKJ-HSZRJFAPSA-N 434.490 5.166 30 20 IKED COc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2)c2ccccc2C#N)cc1SC 556673026 JNOOLNNTYIDMKU-UHFFFAOYSA-N 433.489 5.044 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1occc1CN1c2ccccc2C[C@H]1C 571772014 WKZJTYTXFBZSEX-QZTJIDSGSA-N 431.561 5.735 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C)Cc1cnc2ccccc2n1 574057412 NEXIIHRNOBURNH-IBGZPJMESA-N 436.515 5.206 30 20 IKED O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 586182433 UDYNVVWVKZTOCC-IQOUGMIPSA-N 448.329 5.334 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc(Cl)c1OCC(C)C 592973873 KRFBNSDCDNCNDU-CQSZACIVSA-N 432.904 5.622 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCNC(=O)c2ccsc2)cc1Cl 603673387 NVLBTIGBUUHRGC-FQEVSTJZSA-N 437.952 5.206 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1sc(C)c(C)c1C#N 603947855 SRQGHWIJISIJNS-UHFFFAOYSA-N 447.944 5.904 30 20 IKED Cc1nc2ccnn2c(C)c1CCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603962021 AWIFZXZCLXOGQB-JOCHJYFZSA-N 443.938 5.226 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CCOc2ccc(F)c(Cl)c2)cc1 604003693 SUAMJUOVLUXIFX-UHFFFAOYSA-N 438.886 5.532 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)cc2)cc1 604461866 JKOHKNHMAHIXDK-UHFFFAOYSA-N 440.503 5.233 30 20 IKED CC(C)CC(=O)N[C@@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1 608960177 KCXXDKYKOUXMPM-RUZDIDTESA-N 427.504 5.193 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC2(c3ccc(Cl)cc3)CC2)cc1C 608968728 WBBXGEGNSWAJPC-UHFFFAOYSA-N 432.955 5.196 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)Cc3c[nH]c4cc(Cl)ccc34)c2)c1 609020373 RTJXTXIXSJGRSA-UHFFFAOYSA-N 428.879 5.126 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3cccnc3OCC(F)(F)F)c2)cc1 609209161 ZJWUFRVCAAFTDN-UHFFFAOYSA-N 442.397 5.008 30 20 IKED CC1CCN(Cc2cccc(CNC(=O)Nc3ccccc3SC[C@H](C)C#N)c2)CC1 609399316 MZRLIRMSBBZBOG-HXUWFJFHSA-N 436.625 5.492 30 20 IKED Cc1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)ccc1C(=O)NC(C)C 609409073 RQLCXNQDSZHOLO-UHFFFAOYSA-N 429.545 5.408 30 20 IKED COc1cc([C@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)ccc1OCC(C)C 609499525 DUUDAQFSOWSICK-SFHVURJKSA-N 445.519 5.280 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@@H](c4ccc(Cl)cc4)C3)c2)cc1 609553978 OWSUXLXJBGLPIM-JOCHJYFZSA-N 445.950 6.006 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)Nc2cccc(OCc3cccnc3)c2)CC1 609554189 XIKLUTTVSUNUDF-UHFFFAOYSA-N 442.519 5.044 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@H](c4nc5ccccc5o4)C3)c2)c1 609659705 OICQFFZINVSCBE-QFIPXVFZSA-N 437.499 5.298 30 20 IKED CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 609928139 KJWSNRIOWWSBBR-NYHFZMIOSA-N 436.899 5.297 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(Cl)c3N3CCOCC3)c2)cc1 609990816 XQXVQYXSUSOSEK-UHFFFAOYSA-N 432.911 5.044 30 20 IKED COc1ccc2sc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c(C)c2c1 610224969 QFNUTSXOHOMWDL-UHFFFAOYSA-N 442.540 6.116 30 20 IKED Cc1nc(CNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)cs1 610331699 FEPDJZPSYZNIFR-UHFFFAOYSA-N 432.427 5.456 30 20 IKED CSc1cccc([C@H](NC(=O)NCc2ccc(C#N)cc2F)c2cc(F)ccc2F)c1 610402257 GSMZTVDOEZBMJM-QFIPXVFZSA-N 441.478 5.286 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H](C[C@H]3CCOC3)c3ccccc3)cn2)c1 611075213 NGIOASDKGJYCID-XXBNENTESA-N 428.492 5.035 30 20 IKED C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@@H]1COc2ccccc21 611109506 NZKJKTLHLAPIDE-UUOWRZLLSA-N 427.504 5.018 30 20 IKED C[C@@H](NC(=O)N1CCCO[C@H](c2ccccc2)C1)c1ccc(-c2cccc(C#N)c2)cc1 611854316 OIJIVHRUWNAVLN-IBVKSMDESA-N 425.532 5.459 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn4c(-c5ccccc5)ccnc34)n2)cc1 613319154 RMHSSKUEQBYPNC-LJQANCHMSA-N 435.512 5.318 30 20 IKED CCC(=O)c1ccc(OCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 642602504 CEHPSAAUURTALS-QFIPXVFZSA-N 432.907 5.606 30 20 IKED O=C(N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)C1(Cc2cccc(F)c2)CCCCC1 672951236 LACPDWWTSCVYLE-IYBDPMFKSA-N 425.388 5.518 30 20 IKED CC(C)Oc1ncc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1Cl 678325332 SCGHCKOGAIQPQF-GFCCVEGCSA-N 433.867 5.414 30 20 IKED C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 679567277 GSGKJIVXXXCVDI-RKDXNWHRSA-N 444.326 5.412 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=S)Nc2ccc(OC(C)C)cc2)cc1 726489522 OMRMZDUPKAMOHA-UHFFFAOYSA-N 433.533 5.955 30 20 IKED N#Cc1cccc(COc2ccc(NC(=S)Nc3cccc(Cl)c3)cc2Cl)c1 727979371 VWKAKROLKFEJGZ-UHFFFAOYSA-N 428.344 6.253 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C[C@@H](c1ccccc1)N1CCOC1=O 728246418 YWIIMJYQVFBROV-DEOSSOPVSA-N 441.487 5.181 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3cccc(Cl)c3SC(F)F)CC2)c1 729567992 SJIHRHUUKHJVPE-UHFFFAOYSA-N 437.899 5.602 30 20 IKED Cc1ccc(S[C@@H](C(=O)[C@H](C#N)c2nc3ccccc3n2C)c2ccccc2)c(C)c1 730071244 OHJCUAKCWCNLIX-NBGIEHNGSA-N 425.557 5.900 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccc(N2CCCC2=O)cc1 730178114 NYTKDPHTNQMMHV-QGZVFWFLSA-N 443.478 5.107 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(C2CCC2)C1=O)NCc1ccccc1 730461459 PMMXCUDVIJGKMB-QHCPKHFHSA-N 443.572 5.030 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](CC(F)(F)F)c1ccc(Br)cc1 731995415 ZRLWIPNUMFIIML-SJCJKPOMSA-N 442.231 5.325 30 20 IKED CCN(C(=O)CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1)[C@H](C)c1ccc(C#N)cc1 732060922 BYZZQNVLOSUTMZ-OAQYLSRUSA-N 446.595 5.123 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)/C(=C/c3ccco3)NC(=O)c3ccccc3)cc2)cc1 732958663 KXCZMOILIYCKRB-UQQQWYQISA-N 449.466 5.353 30 20 IKED CCC(=NNc1nc2ccccc2c(=O)n1CCCOC(C)C)c1ccc(Cl)s1 733201500 LEFYZRHBPVAWQC-UHFFFAOYSA-N 432.977 5.153 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(CSc3ccccc3)cc2)ccc1OC 733229934 JHOAZEBZQZPHHR-JOCHJYFZSA-N 446.572 5.598 30 20 IKED Cc1ccccc1-c1cc(C(=O)OCc2ccc(OCC#N)cc2)c2cnn(C(C)C)c2n1 733430126 NSIHPWPLMHRBKL-UHFFFAOYSA-N 440.503 5.247 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Cc2csc(-c3ccc(C(C)C)cc3)n2)c1 733775371 SUYVWXJIMHNEBC-JOCHJYFZSA-N 433.577 5.473 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3ccccc3OC)cc2)c1 733843563 QLABWUJKGFPRJM-HXUWFJFHSA-N 431.492 5.490 30 20 IKED C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1cccc(COc2cccc(C#N)c2)c1 734323687 WXKGTYRCRVVHHJ-GOHWNWGWSA-N 426.516 5.128 30 20 IKED C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)c1 735315891 OPBRVQOUPCXLCL-UHFFFAOYSA-N 428.513 5.027 30 20 IKED Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N(CCC#N)CC(C)C)c12 737817854 BGKIZLZRJICTSR-UHFFFAOYSA-N 430.430 5.229 30 20 IKED C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 739160774 WCKDPULTNOANTO-LIRRHRJNSA-N 439.462 5.756 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F 741431110 PIEIVCYSMPCAON-FHWLQOOXSA-N 438.405 5.189 30 20 IKED CN(CC(C)(C)C)C(=O)c1cccc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1 741570093 MVEXYUCNRVXBPZ-UHFFFAOYSA-N 445.588 5.335 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(F)cc3F)n2)cc1 743457996 OLXFUXWHCNOPIX-QGZVFWFLSA-N 428.460 5.132 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2ccc(-c3ccccc3OC)cc2)c1 743610754 JCACCVWOCQBKFM-WMZHIEFXSA-N 443.547 5.604 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)N[C@@H](CCC#N)c2ccccc2)cc1 747986613 UWOGGGJNWYOEBC-GCJKJVERSA-N 436.556 5.117 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1 750691641 UOGXHUOQIJQUOD-MQSCRBSSSA-N 435.449 6.038 30 20 IKED COc1cc(/C=C\C(=O)c2ccc3c(c2)CCC(=O)N3C)ccc1OCc1ccc(F)cc1 754690412 VFHIADVQSQZTIS-XGICHPGQSA-N 445.490 5.218 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2nc3ccccc3s2)n(Cc2ccccc2)c1C 757942226 YXHXYOXERJIXSS-UHFFFAOYSA-N 432.574 5.365 30 20 IKED Cc1csc(SCc2ccccc2C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)n1 764300560 ADQVYBJJYQURBR-UHFFFAOYSA-N 444.925 5.429 30 20 IKED N#Cc1cccc(COc2ccc(NCc3nnc(-c4ccccc4)s3)cc2Cl)c1 767608178 KSDYNCJRZHFQPS-UHFFFAOYSA-N 432.936 5.921 30 20 IKED O=C(/C=C/c1ccnc(Cl)c1)C(c1nc2ccccc2s1)c1nc2ccccc2s1 771259657 WFXYVSGOOMJHHG-MDZDMXLPSA-N 447.972 6.369 30 20 IKED COc1ccc(C[C@@H](NCc2cc(Cl)ccc2OCC#N)c2ccccc2)cc1OC 775322217 SYWBCFPEPPTFBI-JOCHJYFZSA-N 436.939 5.333 30 20 IKED C#CC[C@H](NCc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1)c1ccccc1 775400003 WKTMDRBSXQQJHL-NRFANRHFSA-N 443.494 5.701 30 20 IKED CC(C)(C)C[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1ccc(Cl)cc1 775454232 IEDMMINONUTPDI-CTNGQTDRSA-N 432.955 5.644 30 20 IKED C[C@@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 777177744 QYCYKXWQUWUWLR-LLVKDONJSA-N 437.710 5.386 30 20 IKED COc1cc(/C=C2\CN(C(C)=O)Cc3ccccc3C2=O)ccc1OCc1ccc(F)cc1 778520176 PKVVTXLJPWCZIN-LPYMAVHISA-N 445.490 5.042 30 20 IKED COc1ccc([C@H](NCc2ccc(OCC#N)cc2)c2ccc(C(F)(F)F)cc2)cc1 778616606 GFBLVXYCBFEERH-HSZRJFAPSA-N 426.438 5.496 30 20 IKED C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(-c2ccco2)nn(CN2CCC(C)(C#N)CC2)c1=S 779880269 ZEJNXDXYKMVDES-VJANTYMQSA-N 425.602 5.254 30 20 IKED N#Cc1ccc(CNC(=O)N(CC2(c3ccc(Cl)c(Cl)c3)CCC2)C2CC2)nc1 780657388 CPMVSQOJXSOUAQ-UHFFFAOYSA-N 429.351 5.056 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2ccccc2O[C@H](C)C#N)ccc1OCCC(C)C 780670261 JZABUGFURORGDS-MSOLQXFVSA-N 425.529 5.294 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(C)(NC(=O)OC(C)(C)C)CC2)cc1 781770808 OTZVAWLVPQDLDU-UHFFFAOYSA-N 449.551 5.178 30 20 IKED C#CC[C@H](NC(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1)c1ccccc1 788788024 CXHHYOKQXYKUGA-SFHVURJKSA-N 427.291 5.462 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccnc(Oc2ccc(F)cc2F)c1 789392270 HLSRPVXYGPVHMP-QGZVFWFLSA-N 431.398 5.147 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 793165764 BNJAETJQECMKSC-UHFFFAOYSA-N 435.524 5.285 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)OCCc2nnc(-c3ccccc3)o2)cc1 806111343 AHQGGGMWZAGSGL-UHFFFAOYSA-N 441.512 5.300 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)cc1 806201032 ROZYCDYWYSRWLP-VXKWHMMOSA-N 439.437 5.216 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cc(C#N)ccc2Cl)c(C(F)(F)F)c1 808371970 ZAWSYFNPZPHQKZ-UHFFFAOYSA-N 439.821 5.830 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(OCC)cc1)[n+]1cc(O)cc(-c2ccccc2)c1 811723992 VDZIFGPZBLHCHB-UHFFFAOYSA-O 447.580 5.122 30 20 IKED C#C[C@@H](NC(=O)CCc1ncc(-c2ccccc2Br)o1)c1ccc(Cl)cc1 811947370 CSSOXICFSBDPCV-GOSISDBHSA-N 443.728 5.181 30 20 IKED COc1ccc([C@@H](O)C2CCN(CCC(C#N)(c3ccccc3)c3ccccc3)CC2)cc1 812858361 HYROPEFVBXXDQE-MUUNZHRXSA-N 440.587 5.341 30 20 IKED CCCc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cnn1Cc1ccccc1 915644635 HOBJSNLDRGZBEL-RUZDIDTESA-N 434.543 5.792 30 20 IKED CCOc1cc(/C=C\C(=O)c2cc3cc(Cl)ccc3o2)ccc1O[C@H](C)C(=O)N(C)C 916129945 CPCKWOFPHGBHPC-WUKHSURWSA-N 441.911 5.237 30 20 IKED CC[C@@H](C)c1ccc(N=C2NC(=O)[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)S2)cc1 916232666 LGEKJOFCPKRZJL-XIKOKIGWSA-N 433.936 5.241 30 20 IKED COc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1OC1CCCC1 916383285 AWJIFGAYLUHXCL-XMMPIXPASA-N 426.516 5.924 30 20 IKED Cc1nn(-c2ccc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cc2)c(C)c1Cl 916918612 QYSJKSBHNXTAFH-NRFANRHFSA-N 442.906 5.257 30 20 IKED COc1cccc(COCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 916997469 XWRNAXOOEVCGMV-QGZVFWFLSA-N 447.343 5.519 30 20 IKED N#C[C@@H](C(=O)CCCOc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997555 WKFXDMSJBWDISK-KRWDZBQOSA-N 431.344 6.152 30 20 IKED N#C[C@@H](C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)c1nnc2n1CCCCC2 917505124 JWLLCIUSVINYBE-NRFANRHFSA-N 441.510 5.101 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(C)c([N+](=O)[O-])c2)cs1 917562193 VGMULLRSUFYONS-YFHOEESVSA-N 441.896 5.594 30 20 IKED CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(COc2ccccc2C#N)o1 919514929 YMFMACYLLONHQS-MSOLQXFVSA-N 446.503 5.428 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(OC)c3)CCC2)cc1 1786103267 OHBPWVDOEIOMIK-UHFFFAOYSA-N 443.547 5.083 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCc3cc(F)ccn3)cc2)CCC1 1786818753 OIWARDLASVARLH-UHFFFAOYSA-N 437.559 5.280 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4c(F)cc(F)cc4[nH]3)cc2)CCC1 1788985912 DIQSTFVKQZLAJQ-HNNXBMFYSA-N 437.490 5.406 30 20 IKED Cc1nc2cccc(C(=O)NC3(c4ccc(NC(=O)C5(C#N)CCC5)cc4)CCC3)c2s1 1792230551 ZYIMRPSPAMBNGZ-UHFFFAOYSA-N 444.560 5.046 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCC2CCCC2)[C@@H]1c1cccnc1 1802498912 YLRPLMFBUUCXFU-ISKFKSNPSA-N 425.617 5.050 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)/C(C)=C/c3cccs3)C2)CC1 1804811378 IHDSXNPYUQVPBD-CAPFRKAQSA-N 428.642 5.375 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)C23CCC(CC2)CC3)[C@@H]1c1cccnc1 1813563389 ADHUHHMFNQCLRJ-YRKJJQBRSA-N 437.628 5.050 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3c[nH]c4cc(C)ccc34)CC2)C1 1823705031 MENHDXXJDGBIOG-QGVYAHRCSA-N 445.607 5.075 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC(F)(F)F)CC1 1828820717 DFIIIEOCIAPVCS-PMACEKPBSA-N 428.539 5.107 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1829072295 WTZDIJFFXPKNHI-PXDATVDWSA-N 449.639 5.539 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)cc2C)CC1 1832724903 DFUDCAZUVYDYBB-UPVQGACJSA-N 426.576 5.136 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccccc1OC 9204948 PHCBKXVZJSOWIN-UHFFFAOYSA-N 430.533 5.024 30 20 IKED C[C@@H](OC(=O)c1cc2sc(Nc3ccccc3)nc2s1)C(=O)Nc1ccccc1C#N 10236297 MVNDIESYUZTWFX-CYBMUJFWSA-N 448.529 5.157 30 20 IKED Cc1nc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)n(CC(C)C)c1C 12479573 SJMQTXPIIXZJGN-UHFFFAOYSA-N 427.618 5.292 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)NCCc2ccccc2)[n+]2ccc(C(C)(C)C)cc2)c1 22735647 SVXMZVLEUPGTTJ-UHFFFAOYSA-O 445.652 5.660 30 20 IKED N#Cc1cccc(COc2ccc(N[C@@H](C(=O)N3CCCCC3)c3ccccc3)cc2)c1 97543282 YLXHSTPSXMTLSO-AREMUKBSSA-N 425.532 5.303 30 20 IKED C[C@H](NCc1ccc(N(C)CCC#N)cc1)c1cccc(NC(=O)Cc2ccccc2F)c1 237607990 JGKOOZAQSFKVKO-FQEVSTJZSA-N 444.554 5.208 30 20 IKED N#C[C@H](NC(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1cccc(Cl)c1Cl 303414203 VSPFOKINXIFVTH-IBGZPJMESA-N 430.335 5.507 30 20 IKED C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(OCCCC#N)c1 303443983 IHPITWQMZHHJOC-CTUHWIOQSA-N 445.563 5.092 30 20 IKED Cc1csc(-c2cccc(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)c2)n1 303746611 ARLQLNLRHWRHOK-DEOSSOPVSA-N 439.540 5.692 30 20 IKED Cc1ccc(C)c(NC(=O)Cc2nc(CN(Cc3ccc(C#N)cc3)C(C)C)cs2)c1 430038185 JPPIPURWOGUYLD-UHFFFAOYSA-N 432.593 5.223 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cc(Br)sc2Br)s1 430596546 XBYMDNPGMLFNAC-MRVPVSSYSA-N 448.205 5.517 30 20 IKED CC(C)c1ccc([C@@H](NC(=O)CCCC(=O)Nc2ccccc2C#N)c2cccs2)cc1 432597311 XYGQJLUIBUKVPF-AREMUKBSSA-N 445.588 5.758 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1nc(C2CCCCC2)cs1 435889349 NBLBSJHTNGNPQO-INIZCTEOSA-N 445.679 6.314 30 20 IKED Cc1oc(-c2ccccc2)c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1C 436141817 BQIKMEYHJNMPHL-UHFFFAOYSA-N 446.557 5.831 30 20 IKED C=CCN(C(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12)c1nc(C(=O)OCC)cs1 437678144 ARUXVSJRRKMSKX-UHFFFAOYSA-N 435.549 5.195 30 20 IKED Cc1nccn1CCCNC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 438525366 ZHYUTECVJNBWAA-UHFFFAOYSA-N 443.429 5.086 30 20 IKED CC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 439310730 WATRPYOOUMOTSE-UHFFFAOYSA-N 445.494 5.151 30 20 IKED CC(C)(C)Cc1nc(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc2)no1 442671897 NXXGYQRJICFFEB-LJQANCHMSA-N 442.544 5.939 30 20 IKED N#CC1CCC(CNC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2O)CC1 442974321 QWKBFYRYYJEHHF-UHFFFAOYSA-N 446.334 5.011 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(Sc3ccccn3)cc2)c1C#N 445572033 QQCJBJZAPGLMRE-UHFFFAOYSA-N 443.557 5.264 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(c2cccc3cnccc23)C[C@H]1C 446160002 CITAQLGHZDQRNI-RTBURBONSA-N 445.592 5.229 30 20 IKED C=CC[C@@H]1N(C(=O)c2c[nH]c3c(Cl)cc(Br)cc3c2=O)CCCC1(C)C 447620705 QLDKVSFJMLAFEO-INIZCTEOSA-N 437.765 5.151 30 20 IKED Cc1cccnc1-c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCc1ccccc1 460429869 VUDVWANLZNAGEW-UHFFFAOYSA-N 446.558 5.057 30 20 IKED C[C@H]1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCN1Cc1ccccc1 464912180 UMKNDOXKNJNKAD-NRFANRHFSA-N 425.532 5.087 30 20 IKED C[C@H](O)C[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 469512688 VEOOKVXYMVYKQT-VNZMSGEBSA-N 447.966 5.672 30 20 IKED CC(C)OCc1c(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)oc2ccccc12 469970159 XNZBFGPDUCIRBS-UHFFFAOYSA-N 445.519 5.193 30 20 IKED C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 472696982 FJQSFYYHJKZTAC-QPPBQGQZSA-N 439.559 5.817 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)n1 474435987 UDSQAJGPJSMHHE-CYBMUJFWSA-N 429.954 5.724 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 475582612 KRERBTYVDDLGSE-FQEVSTJZSA-N 433.531 5.073 30 20 IKED Cc1nn(CC(F)(F)F)cc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 477017800 PGYRCSSZPJDKHS-UHFFFAOYSA-N 448.832 5.110 30 20 IKED COc1ccccc1Oc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1 477255746 XCCLKXMLUQXYLV-UHFFFAOYSA-N 427.504 5.233 30 20 IKED COCC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccc(C)o1 477543020 OIBMBSPSVALIDN-QHCPKHFHSA-N 433.508 5.246 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 478805749 MPBDUKCSIFTQAP-INIZCTEOSA-N 445.510 6.421 30 20 IKED C=C(C)[C@H](NC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1ccc(F)c(F)c1 478919393 MSNCTNVWSYSXTM-NRFANRHFSA-N 427.520 5.225 30 20 IKED C=CCN(C(=O)CSc1cccc(OC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 479209370 BEIDDPKFERWJRP-UHFFFAOYSA-N 441.534 5.038 30 20 IKED CC(C)n1cc2c(n1)C[C@@H](NC(=O)Nc1ccc(Oc3ccc(C#N)cc3)c(Cl)c1)CC2 482993900 ZACUXJZKFRYCHL-IBGZPJMESA-N 449.942 5.460 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cc(Cl)ccc3C(=O)N3CCCC3)c2)cc1 483023828 YHTKKDUTQCRDDE-UHFFFAOYSA-N 445.906 5.492 30 20 IKED C=C(C)[C@H](NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1ccc(F)c(F)c1 483307372 WFXTVVIYWDUVEE-VNZMSGEBSA-N 427.539 5.277 30 20 IKED CCCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 483636753 NJYIVIHLMNCACA-VWLOTQADSA-N 429.539 5.972 30 20 IKED C=C(C)CN1CCC(NC(=O)N(C)[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 483741126 HTNCBLIOUYQAOS-HSZRJFAPSA-N 429.967 5.250 30 20 IKED Cc1ccc(-c2cccnc2)cc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 483780345 BDRIRKVLVRHTJD-UHFFFAOYSA-N 430.483 5.143 30 20 IKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)[C@H](Oc1ccccc1C#N)C(C)C 485917956 NCBXTCOYMSCCCL-XMMPIXPASA-N 442.519 5.553 30 20 IKED C=CCSc1ccccc1C(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 486403241 KYJCSYMISWDDMU-NRFANRHFSA-N 426.969 5.206 30 20 IKED N#CCCN(C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)C12CC3CC(CC(C3)C1)C2 486553344 ZMGZNMPSVZKYLD-UHFFFAOYSA-N 438.959 5.034 30 20 IKED CCCc1c(NC(=O)NC23CCC(C(F)(F)F)(CC2)CC3)cnn1-c1cccc(C#N)c1 488713063 KRZOWUOPJRLQSQ-UHFFFAOYSA-N 445.489 5.473 30 20 IKED C=CC[C@H](C(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1ccccc1 488991522 IARUPNXEYPPXLN-NRFANRHFSA-N 441.499 5.237 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[C@H](C)CC)nnc1-c1cccs1 489447118 JSKBRRZCCDYZGK-HZPDHXFCSA-N 426.611 5.825 30 20 IKED C=CCC[C@@H](NC(=O)NCCc1nnc(C(C)C)s1)c1ccc(C(F)(F)F)cc1 489757758 UUHHVFIRRJBPTH-MRXNPFEDSA-N 426.508 5.230 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCC(=O)c3ccc(Cl)cc3)c2)c1 490428543 DLOPNAPCKFRZPD-UHFFFAOYSA-N 431.879 5.066 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 504934900 KTQPPSBQUFNFBF-GPXOXTDOSA-N 444.966 5.500 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1 506954487 SCMWBLXYGGQYOW-MRXNPFEDSA-N 445.363 5.046 30 20 IKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc(-c3ccco3)nc21 509541838 NJJVKYWFCRLYLG-HNNXBMFYSA-N 427.489 5.372 30 20 IKED CCN(Cc1cccc(Cl)c1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510206121 CJXCXQZVAFWYFP-UHFFFAOYSA-N 443.985 5.409 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCSc2ccc(Cl)cc2)cc1 510500120 CQBPHMNZNFOTKZ-UHFFFAOYSA-N 429.973 5.068 30 20 IKED Cc1nc(-c2ccc(CCNC(=O)c3ccc(COc4ccccc4C#N)o3)s2)cs1 512372522 WQTBUCHQTNRVFN-UHFFFAOYSA-N 449.557 5.196 30 20 IKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cc(-c3ccco3)nc21 513181290 OUOODZCLGUKMLT-OAHLLOKOSA-N 439.397 5.176 30 20 IKED Cc1ccccc1-n1ncc(C(=O)[C@H](C#N)c2nc3ccccc3s2)c1C(F)(F)F 513686510 AKHWCXPVUSXTDE-ZDUSSCGKSA-N 426.423 5.299 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)N[C@@H](C)C(=O)NC1(C#N)CCCCC1 517370988 QJGOFHIIQUWHMF-HOCLYGCPSA-N 431.005 5.154 30 20 IKED Cn1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(-c2ccccc2Cl)n1 517479358 UOFRVSYAJIKYRM-UHFFFAOYSA-N 442.906 5.443 30 20 IKED Cc1nc(NC(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)sc1SCC#N 520795079 MGJBHXMYTBUGIH-UHFFFAOYSA-N 446.001 5.591 30 20 IKED N#C[C@@H](C(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1nc(-c2c(F)cccc2F)cs1 521259265 MDYYGJBYOHKFMX-IRXDYDNUSA-N 440.471 5.136 30 20 IKED CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C 521475080 PBPKPTPYNHCHSN-LJQANCHMSA-N 435.911 5.369 30 20 IKED CSc1ccc(Cl)c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 521733810 GMVXKPDGPSSZTE-UHFFFAOYSA-N 430.904 6.339 30 20 IKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)cc1 522121378 IYCDEWLFFUHBGF-UHFFFAOYSA-N 444.512 5.430 30 20 IKED CC(C)Cn1ncc2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cnc21 522715232 UCQSYVDIQDLGIZ-JOCHJYFZSA-N 443.938 5.648 30 20 IKED C[C@H](NC(=O)NCCCCSc1ccccc1Br)c1ccc(C#N)cc1 522910009 WVOAPWYAWZCLNU-HNNXBMFYSA-N 432.387 5.253 30 20 IKED COCCN(C(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1)c1ccc(C#N)cc1 524656481 FHMCOJSSLKDOKL-UHFFFAOYSA-N 435.527 5.304 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](CN4CCCCC4)C3)cc2Cl)cc1 527331923 CNXZJVLFYRRUME-LJQANCHMSA-N 438.959 5.344 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CSc1nc(C)nc2sc(C)c(C)c12 530401987 ZZHMUCOKWIXQDV-UHFFFAOYSA-N 425.623 6.199 30 20 IKED C=CCn1c(SCc2nccc(C)n2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 533716176 XYZUZNACQNWMOV-UHFFFAOYSA-N 438.553 5.149 30 20 IKED CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 536646900 YVQWTGXUSLDWNH-OSPHWJPCSA-N 434.536 5.496 30 20 IKED CC(C)[C@@H]1C[C@@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCO1 536818231 UXZJIOOXJIETDA-UGKGYDQZSA-N 427.932 5.116 30 20 IKED Cc1cc(NC(=O)N(C)[C@H](C)c2cccc(-c3ccc(OC(C)C)cc3)c2)nn1CCC#N 537514267 CJXNJVZQNMWZRZ-HXUWFJFHSA-N 445.567 5.784 30 20 IKED N#Cc1cc(C(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)ccc1Cl 544416736 GRBLQQFRQMYPQS-MRXNPFEDSA-N 426.948 5.127 30 20 IKED C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N(C)Cc1ccc([S@](C)=O)cc1 549634225 KACPWRNCIGTVDR-HKBQPEDESA-N 430.577 5.048 30 20 IKED N#CC1(NC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CCCCC1 552817766 AGJMPZQYGUUTJE-JXAWBTAJSA-N 446.532 5.478 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)c(F)c1 553540465 CUXIPYNOIWTXBM-UHFFFAOYSA-N 425.463 5.082 30 20 IKED CCN(CC)Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 554319779 NNMWHIRPTOGBLX-KRWDZBQOSA-N 425.504 5.420 30 20 IKED CN(C(=O)c1occc1COc1cccc(C#N)c1)c1ccc(Cl)c(C(F)(F)F)c1 572405244 UGHQZZBUZYCELA-UHFFFAOYSA-N 434.801 5.679 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N[C@H](C3CC3)C(F)(F)F)s2)c(C(F)(F)F)c1 572917319 HGRLGRQKTOJDGF-CQSZACIVSA-N 448.392 5.087 30 20 IKED C=CCN(C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 584193457 PRWNYUKBSYCXHW-KGLIPLIRSA-N 425.432 5.216 30 20 IKED CC(=O)c1cccc(O[C@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 590235059 OVMSTUJBISKPHT-LJQANCHMSA-N 428.488 5.054 30 20 IKED N#CCCCn1cc(C(=O)N2CC(Cc3cccc(C(F)(F)F)c3)C2)c2ccccc21 590422352 KQBILADKQPZCEA-UHFFFAOYSA-N 425.454 5.279 30 20 IKED C=CCOc1ccccc1CNC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 601133529 CHBWIACMEJWXHG-UHFFFAOYSA-N 441.959 5.289 30 20 IKED Cc1ccc(-n2nc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c3c2CCC3)cc1 603738834 CJFWTJZZLHPLFL-UHFFFAOYSA-N 449.514 5.289 30 20 IKED N#C[C@@H](C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1nc2cc(C(F)(F)F)ccc2s1 603846314 NPDKBAFJUPIKFK-LBPRGKRZSA-N 431.351 5.460 30 20 IKED Cc1ccc(-c2cc(C(=O)Nc3cccc(OCCCC#N)c3)c3c(C)noc3n2)cc1 603972099 UDFPISQGPLOSNO-UHFFFAOYSA-N 426.476 5.442 30 20 IKED N#CCCCOc1cccc(CN[C@@H](c2ccccc2)c2ccc(Br)cc2)c1 608861019 IVZWTMNHWLEDFF-DEOSSOPVSA-N 435.365 6.011 30 20 IKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1cccc(C(F)(F)F)c1 608865891 ZPHSNKNWNHGPMO-FQEVSTJZSA-N 445.485 5.349 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)CC2)c1 609185283 SIHFACUBOKSCBD-UHFFFAOYSA-N 449.510 5.564 30 20 IKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)Nc1ccccc1S[C@@H](C)CC#N 609428134 AMYLXPPUZRCSPL-ZDUSSCGKSA-N 442.382 5.814 30 20 IKED CC1CCN([C@H](CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c2cccs2)CC1 609497388 ONXFJDKLRDQZIZ-JOCHJYFZSA-N 446.576 5.010 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1 609498669 WFVREGJPCFJWHQ-UHFFFAOYSA-N 436.515 5.441 30 20 IKED Cc1nc(NC(=O)c2cc(NCc3ccccc3)nc3ccccc23)sc1SCC#N 609842056 IHXIMBDBZDGLFO-UHFFFAOYSA-N 445.573 5.480 30 20 IKED CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 610173380 DQBJCGBKUPSWRH-UHFFFAOYSA-N 427.504 5.265 30 20 IKED Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)c1ccc(C#N)c(C)n1 610210364 LQXFZGQLQVKBSX-UHFFFAOYSA-N 427.483 5.559 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)cc2)cc1 610597802 DTRZLXRVBMUSIX-HDICACEKSA-N 442.359 5.358 30 20 IKED COc1ccccc1COc1cccc(NC(=O)c2cc3ccccc3n2CC#N)c1C 611159080 YZSQKUNZOFZKCQ-UHFFFAOYSA-N 425.488 5.313 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N3CCC(OCc4ccccc4F)CC3)c2)cc1 611261992 GHPCCZDKUGQWDC-UHFFFAOYSA-N 429.495 5.262 30 20 IKED COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 611837588 TUUMVCIQWVFURI-IBGZPJMESA-N 435.915 5.165 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(COc4ccccc4C#N)o3)n2)cc1 613318949 JXJUJARMJSCLCA-FQEVSTJZSA-N 439.496 5.652 30 20 IKED Cc1ccc(-n2ncc(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)c2C(C)C)cc1 613350774 SXLFOMPJIZRXEQ-UHFFFAOYSA-N 425.454 5.104 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3cccc(C#Cc4cccs4)c3)CC2)cc1 615492091 LHEXKZSAAIXDAX-UHFFFAOYSA-N 428.557 5.583 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(Oc2ccccc2OCC)nc1 615707394 JERKFNDSQRJBPY-UHFFFAOYSA-N 435.499 5.310 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)c2cc(C)sc2C)nnc1-c1ccc(Cl)cc1 642147744 USYSAUKMFCNHJU-CQSZACIVSA-N 447.029 5.432 30 20 IKED CC1(C)CC(=O)c2sc(NC(=O)c3ccccc3Sc3ccccc3C#N)nc2C1 642612476 GEUMQWNFXFWTAB-UHFFFAOYSA-N 433.558 5.573 30 20 IKED C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(OCc2ccc(F)cc2)CC1 669806858 FLQUSAKRWCHVEL-UHFFFAOYSA-N 443.526 5.004 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)cc(C(F)(F)F)c1 674785058 QMVUBKRATRKJON-NXEZZACHSA-N 425.266 5.484 30 20 IKED O=C(CCCCC(=O)c1ccc(F)cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 681666912 DPBUAPBGNPZFHC-KBPBESRZSA-N 441.387 5.595 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])cc2Cl)cc1 727708517 VPQVHHXHMUWRGA-UHFFFAOYSA-N 429.766 5.443 30 20 IKED Cc1c(-c2ccccc2)oc2c(C(=O)Nc3cc(C#N)ccc3OC(F)F)cccc2c1=O 728013718 COEZPWNZCHMOKT-UHFFFAOYSA-N 446.409 5.494 30 20 IKED CCOc1cc(/C=C2\CCOc3ccccc3C2=O)ccc1OCC(=O)Nc1ccccc1 728441681 OLYWLSBMCDDTNN-CAPFRKAQSA-N 443.499 5.152 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NC[C@@H](O)c3ccccc3C(F)(F)F)c2)cc1 729570901 NPSGAGOHQCFJBH-OAQYLSRUSA-N 441.409 5.224 30 20 IKED CC[C@H](C)Oc1ccccc1/C=C/C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 729888398 FIDYTSFTTZRJRQ-FVXSSJTDSA-N 431.319 5.531 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2COc2cccc(C=O)c2)cc1 731607404 LVBGFBHVSIJWPU-MUUNZHRXSA-N 446.506 5.986 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(CSc3nc(C)cs3)cc2)c1 733787553 RJZUWNODGULRRQ-FQEVSTJZSA-N 437.590 5.355 30 20 IKED COc1ccc(-c2csc3ncnc(NN=Cc4occc4Br)c23)cc1 735226960 HNFWEYCWEOHJHI-UHFFFAOYSA-N 429.299 5.168 30 20 IKED O=C(/C=C/c1csc(COc2ccc(Cl)cc2)n1)c1c(Cl)nc2ccccn12 737446623 YGMMFXIOIUBGLP-RMKNXTFCSA-N 430.316 5.573 30 20 IKED COc1ccccc1-c1ccc(C=Nn2c(S)nnc2SCc2ccccc2)cc1 741454348 DNRXGHLOUPZXBH-UHFFFAOYSA-N 432.574 5.417 30 20 IKED COc1ccc(Cl)cc1NCCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 744035110 OWTHPWWGNDBRPV-MRXNPFEDSA-N 446.359 5.804 30 20 IKED Cc1cc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)c(C)n1-c1nccs1 744728607 BEWOTKYDBQDRMT-UHFFFAOYSA-N 444.589 5.057 30 20 IKED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1c(Cl)cccc1Oc1ccccc1Cl 745551687 OPSIQNYOBFGRTE-JLCFBVMHSA-N 449.334 5.385 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccccc2Cl)n(C)c1=S 746056091 SJVLHJSMOQJWFP-UHFFFAOYSA-N 425.989 5.259 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)N3CCSC3=Nc3ccccc3OC)s2)cc1 747461993 SFXZTMYEMLNDKY-UHFFFAOYSA-N 439.562 5.012 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3c(-c4ccccn4)nc4ccccn34)cc2)cc1 751300270 UYBHUSJOMIWOGA-UHFFFAOYSA-N 445.482 5.507 30 20 IKED C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 755641765 WMBJVJAZHCAPDB-SAAWKEMMSA-N 425.416 5.276 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 755862191 MCOBWEGTFOWSCT-UHFFFAOYSA-N 443.503 5.879 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2cccc3c2CN(c2ccccn2)C3)cc1 757881653 OPIYXBKSTAFBJI-DEOSSOPVSA-N 445.526 5.901 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 758601607 GNSJBNZLMGPDMK-FGTMMUONSA-N 446.617 5.238 30 20 IKED C[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)[C@H](O)c1c(Cl)cccc1Cl 768076315 DLVIJPURMNFFFR-QKKBWIMNSA-N 430.335 5.104 30 20 IKED CC(C)(C#N)CCCCOC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 768369013 LLAKEZJDSNLWEG-UHFFFAOYSA-N 431.886 5.233 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2ccnc(Br)c2)cs1 769802036 GWDOVJRUHQBEQR-UHFFFAOYSA-N 444.358 5.048 30 20 IKED N#C[C@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)C(=O)Nc1ccccc1Cl 769945473 LLBWRCBCHFVOPP-CKXDQPNJSA-N 427.209 5.287 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3ccccc3SCC#N)C2)n1 772822557 IJEFTWOUMPINTJ-KRWDZBQOSA-N 449.601 5.454 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc(-c2ccccc2C)nc1C 773981129 XBIXTQMUNOZBDQ-HXUWFJFHSA-N 431.561 5.513 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 777299639 GEMSBPDALZHRFX-KBPBESRZSA-N 447.507 5.054 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@H](C)C(=O)c3ccc(Cl)cc3)n2)cc1 777308863 HHKZUFRQGBVHIB-IFXJQAMLSA-N 438.936 5.557 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 780305572 MARLKZZZTPLAFQ-QGZVFWFLSA-N 431.904 5.578 30 20 IKED C[C@@H]1C(=O)CC[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1(C)C 781446951 AKOGJWXDBAUMPL-DFBGVHRSSA-N 435.376 5.935 30 20 IKED COc1cc(C)c(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1C 783712162 CTKSKTMCCVUBBS-JXMROGBWSA-N 440.952 6.003 30 20 IKED COc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1OC1CCCC1 784829703 YCZBLPHKXQJFIX-INIZCTEOSA-N 447.318 5.285 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc(S(C)(=O)=O)cc1 785529712 JIVRMLFWZSOHPB-INIZCTEOSA-N 440.952 5.367 30 20 IKED CCOc1c(Cl)cccc1CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 791789541 ZGQXXDLEMMMXBG-ZDUSSCGKSA-N 432.879 5.559 30 20 IKED CC(C)(C(=O)OCCCC1(C#N)CCOCC1)c1csc(-c2c(F)cccc2F)n1 795959396 ZDIJDOLVVUJMQT-UHFFFAOYSA-N 434.508 5.010 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 796648702 DUKSNYMSQWIYGO-MRXNPFEDSA-N 440.450 5.577 30 20 IKED CC(=O)OCC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1sccc1C)CC2(C)C 796767226 CDYNIOWOFIRFRH-WAYWQWQTSA-N 426.563 5.269 30 20 IKED CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1O[C@H](C)C#N 797478288 IUCXJYJDGATVRM-CYBMUJFWSA-N 444.318 6.315 30 20 IKED N#Cc1sc(Sc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)nc1Cl 804338432 QBLRZJRJCNADGB-UHFFFAOYSA-N 427.917 5.265 30 20 IKED N#CCSCCCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccs1 805330430 QCPVTRHWBSWLAJ-UHFFFAOYSA-N 442.587 5.533 30 20 IKED C[C@H](Cc1cncc2ccccc12)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F 805904449 PAHYWGINYYZZBB-SNVBAGLBSA-N 429.307 5.128 30 20 IKED CN(CC(F)(F)Br)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 807863519 DFMKQTXIGDYSBL-UHFFFAOYSA-N 429.648 5.064 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2nc3ccccc3cc2Br)cc1 808239598 KRNWPZUOSFTFJS-HXUWFJFHSA-N 442.316 5.905 30 20 IKED C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)[C@H](O)c1ccccc1 808827815 WSTKEFGSBFUNFN-MWTRTKDXSA-N 435.911 5.034 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cccc(OCc4cccnc4)c3)n2)cc1 810531128 GJLUOGJGIDTVDF-QHCPKHFHSA-N 439.540 5.512 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)c1cc2cc(Cl)sc2[nH]1)c1ccc(Cl)cc1Cl 810709422 AHYNXDLWCSJSPW-UFBFGSQYSA-N 440.739 5.389 30 20 IKED N#Cc1ncccc1COC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 813167936 FHDWHFVBYRBCBQ-UEWUEVEISA-N 446.391 5.119 30 20 IKED CON=Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 912642806 PZFSJWRMYSOIBG-UHFFFAOYSA-N 441.409 5.190 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl 916694462 ILTYQGAWSUXJRH-AWEZNQCLSA-N 427.422 6.254 30 20 IKED N#C[C@@H](C(=O)CCCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1 916904470 DLWIJVKLOIDCTC-QFIPXVFZSA-N 437.499 5.630 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1csc(-c2cccc(Cl)c2)n1 916906685 IZGQMMWRYAWZPQ-GOSISDBHSA-N 437.952 5.549 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2F)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 916945083 RSZQJXYGKHYFSF-INIZCTEOSA-N 446.265 5.068 30 20 IKED CCOc1ccc(OC(C)(C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917042609 DSAOWMJCJGEEEX-MRXNPFEDSA-N 448.466 5.748 30 20 IKED N#CCOc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 919980098 NAGCHTUYNXETDU-FQEVSTJZSA-N 429.907 5.286 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccn4cncc34)cc2)CCC1 1789360965 WXGHEXPCBWJSGT-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc(C(F)(F)F)c3)CCC2)cc1 1791586200 RXZBYTDRQXSGNE-UHFFFAOYSA-N 428.454 5.257 30 20 IKED C=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc4c(c2)c2ccccc2n4CC)C3)C1 1792502180 GYQAXWVJOSAVLY-KOUNCHBCSA-N 441.575 5.032 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccccc2)C(C)C)n[nH]1 1814933109 KWKPUUSIGRYISE-RDGATRHJSA-N 434.584 5.035 30 20 IKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1830978802 WXPPDSUBAXGCFB-HSZRJFAPSA-N 445.563 5.237 30 20 IKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1831860507 RRNBSEXFEZRJTO-QHCPKHFHSA-N 430.548 5.395 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N(CC)Cc2ccccc2)nnc1-c1ccc(Cl)cc1 10240315 ZQJOHCKMKYPYJJ-QGZVFWFLSA-N 441.000 5.314 30 20 IKED Cc1cc(C)c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2cccc(O)c2)cc1C 11257911 NYQFHXMTKIWNLV-UHFFFAOYSA-O 439.988 5.618 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)n(C2CCCC2)c1C 12257715 MXJJMMFYYQHXNE-UHFFFAOYSA-N 434.323 5.194 30 20 IKED Cc1ccc(C)c(N/C(S)=C(\C(=O)c2ccc(C)s2)[n+]2ccc3c(c2)CCCC3)c1 22729819 VZBTUJWHKMPGRY-UHFFFAOYSA-O 435.638 5.891 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cccc(Cl)c2)cc1 22730574 CKUCXTBCJYZJFY-UHFFFAOYSA-O 445.942 5.909 30 20 IKED C=CCn1c(SCc2csc(COc3ccc(F)cc3)n2)nnc1-c1ccoc1C 39524617 JBYATTPCSSBHAW-UHFFFAOYSA-N 442.541 5.499 30 20 IKED CC(C)NC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 64715310 LJZPDQCRGDKBFK-OAHLLOKOSA-N 440.475 5.108 30 20 IKED COc1cccc(CO[C@H](C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 107875527 NHXBYBAJLFRITM-HXOBKFHXSA-N 434.923 5.548 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)CSCc2ccc(C#N)cc2)c(C(F)(F)F)c1 109733716 XZYKJTHLRQQWBZ-AWEZNQCLSA-N 438.540 6.340 30 20 IKED C=CCn1c(SCc2csc(-c3ccc(F)cc3)n2)nnc1-c1ccccc1F 195569822 MFMXGTYMXALRIF-UHFFFAOYSA-N 426.517 5.825 30 20 IKED CC[C@H](C#N)Oc1cccc(CNCc2ccc(OCc3cn4cccc(C)c4n3)cc2)c1 236900978 MQHRAYDZNPHNKO-XMMPIXPASA-N 440.547 5.193 30 20 IKED N#Cc1cccc(-c2nnc(CN[C@H](CC3CC3)c3cc(F)cc(Br)c3)o2)c1 425912224 CVOHQAIOOJURFC-LJQANCHMSA-N 441.304 5.141 30 20 IKED CCN(CC)CCN(C(=O)c1cccc(SCC#N)c1)c1cccc(Br)c1 429865895 IADXZVYNHUBACU-UHFFFAOYSA-N 446.414 5.053 30 20 IKED N#CCCC[C@H](NC(=O)N[C@H]1CCOc2c(Br)cccc21)c1ccccc1 431312348 IVPMOBRKHWYOMA-OALUTQOASA-N 428.330 5.007 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)c1 433803150 LMPWYMSSNLZMOL-UHFFFAOYSA-N 446.454 6.155 30 20 IKED CCOc1ccc(-c2nc(CC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cs2)cc1 436352127 LSAMFGJMYSQHMJ-GOTSBHOMSA-N 431.561 5.050 30 20 IKED Cc1ccc(C)c(-n2ncc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)c2C)c1 437033262 RNCQTHGPDUUYDS-UHFFFAOYSA-N 426.476 5.094 30 20 IKED Cc1c(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cccc1C(=O)Nc1ccccc1 438198970 GVAQYUDSETUZSL-ZCYQVOJMSA-N 438.531 5.551 30 20 IKED N#CC1CCC(CNC(=O)c2ccc(COc3ccccc3Br)cc2)CC1 441150088 RCYDCPZMGHDZEL-UHFFFAOYSA-N 427.342 5.088 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1ccc(Br)s1 443336618 WBGBDIVKBXPHHR-CHWSQXEVSA-N 438.416 5.052 30 20 IKED CC(C)N(Cc1ccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cc1)C[C@H]1CCCCO1 444284176 DPBKXSRAFWYLHI-RUZDIDTESA-N 431.580 5.008 30 20 IKED O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444441288 ULWBZFZHAMYWQK-HNNXBMFYSA-N 438.299 5.105 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(-c2nc(-c3ccc(-c4nnco4)cc3)no2)c1 445395480 WUUDWJKNGPBGDU-UHFFFAOYSA-N 441.834 5.771 30 20 IKED COCc1c(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cnn1-c1ccccc1 466247945 ZXYLQZZKFPRHRN-LJQANCHMSA-N 436.515 5.048 30 20 IKED CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 467420944 UCISGGPWXMTQBY-KRWDZBQOSA-N 449.532 5.027 30 20 IKED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Cl)c(Cl)c1Cl 469303013 XYZIHQRKXJYJOS-CYBMUJFWSA-N 436.770 6.403 30 20 IKED CCc1nc2ccccc2n1C1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 469753068 PGJAMFJIJZMXFV-UHFFFAOYSA-N 439.563 5.334 30 20 IKED Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 470882466 ZNJZZUUIUBOFEZ-NRFANRHFSA-N 429.907 5.420 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 476077912 GHSTUSPCRWCLHW-UHFFFAOYSA-N 440.543 5.707 30 20 IKED Cn1c(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)nc2cccc(Cl)c21 478456746 UHADQTJJDMEZRL-UHFFFAOYSA-N 446.963 5.321 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc1 479496277 BEDMSAIGAWXRAN-JOCHJYFZSA-N 443.528 5.079 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2cccc3ccccc23)n1)c1nc(-c2ccncc2)cs1 480971729 OTDHLRMFQMSVJH-IBGZPJMESA-N 438.537 5.972 30 20 IKED COc1ccc([C@H](NC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)C(F)(F)F)cc1 482328707 FWMNOZHOPUSKAL-HOTGVXAUSA-N 438.343 5.431 30 20 IKED O=C(N1CCC(C(F)F)CC1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 484736504 NDZUFTWKIZFYDQ-DSNUTCFNSA-N 447.410 5.612 30 20 IKED CC(C)(CCC(=O)Nc1ccc(C(C)(C)C#N)cc1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 486796904 CEIZBTHBJPEIJS-UHFFFAOYSA-N 444.579 5.673 30 20 IKED CC(C)n1ncc(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1-c1ccccc1 488884923 DAKYRUUETFXQNS-UHFFFAOYSA-N 430.899 5.094 30 20 IKED C[C@@H](NC(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1nc(C(F)(F)F)cs1 489055791 SWKGJDJUPMKYRO-KSBSHMNSSA-N 449.779 5.618 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H](C)NC(=O)c1ccc(Cl)cc1 498491427 RCVCENBUPFTLME-KRWDZBQOSA-N 449.913 5.011 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCc2nc3c(s2)CCCC3)cc1 499326676 IAIVRAOMWRWLIS-UHFFFAOYSA-N 446.576 5.031 30 20 IKED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2Cl)n1C(C)C 501809237 IJRFCYAGCHAZDE-CQSZACIVSA-N 441.428 5.738 30 20 IKED C[C@H]1CCCN(CCCCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 502876891 PBUUJANQGRKTBQ-WMZHIEFXSA-N 439.003 5.629 30 20 IKED Cc1cccn2cc(COc3ccc(C(=O)N4CC=C(c5ccc(C#N)cc5)CC4)cc3)nc12 503897323 KNFRZZPBBXWXLB-UHFFFAOYSA-N 448.526 5.023 30 20 IKED C=CCOc1ccc(C(=O)N(C)[C@H]2CCSc3ccc(Br)cc32)cc1OC 505971521 QAIFNAHKULOERB-KRWDZBQOSA-N 448.382 5.332 30 20 IKED C[C@@H](SCC(=O)Nc1c(F)cccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 506237061 ZFYJLMKEYVOOJS-SECBINFHSA-N 443.359 6.435 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 506793579 GVXVPMRPEXRZGM-UHFFFAOYSA-N 441.535 5.322 30 20 IKED CCn1c(SC[C@H](C#N)CCC#N)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 508554386 UWRKQCXOHHVPOG-AWEZNQCLSA-N 426.542 5.128 30 20 IKED C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(OCC(C)C)CC1 508750047 YIDQKQXRGWJBAJ-UHFFFAOYSA-N 437.613 5.204 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](c2ccc(Cl)cc2)C1 508834367 UCYQKKRVNSGGPX-PUHATCMVSA-N 434.971 5.357 30 20 IKED COc1cc(F)c([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC 512524234 RVGYPHCNDOMYHO-MRXNPFEDSA-N 449.482 5.698 30 20 IKED CSc1ncc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)n1-c1ccc(F)cc1 515539077 DZOVFMKQBZHISL-AWEZNQCLSA-N 442.928 5.486 30 20 IKED Cc1cc2nnc(SCC(=O)Nc3ccccc3S[C@@H](C)CC#N)n2c2ccccc12 518128049 OHCUUYYXKOPQDW-INIZCTEOSA-N 447.589 5.316 30 20 IKED COCCSc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 518255481 DRUHTMZNKDSBKN-GOSISDBHSA-N 447.560 5.972 30 20 IKED CCCc1c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)nnn1-c1cccc(Cl)c1 518816162 WBEPPJNUZCXEDX-HNNXBMFYSA-N 439.972 5.377 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCCOc1cccc2ccccc12 519416104 DTNSLHZSLQURAP-SFHVURJKSA-N 436.602 5.985 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCCOc1ccccc1Br 520826220 GOHGAKWCPDAWHG-HNNXBMFYSA-N 433.371 5.499 30 20 IKED Cc1oc(-c2ccccc2)nc1CSCC(=O)Nc1ccccc1SC[C@@H](C)C#N 520832727 PXBGWUCGHPYEJH-INIZCTEOSA-N 437.590 5.774 30 20 IKED Cc1cccc(C2(CNC(=O)C(=O)Nc3ccccc3SC[C@H](C)C#N)CCCCC2)c1 520845565 MWFDXGIPQZGNAG-HXUWFJFHSA-N 449.620 5.204 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(NC(=O)c4cccs4)cc3)cc2)nc1 521957296 AAHZKKZUDSBWLP-UHFFFAOYSA-N 440.484 5.312 30 20 IKED Cc1ccc(F)c(NC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)c1 523101649 UDJAUOTVFNZNMZ-UHFFFAOYSA-N 425.300 5.269 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H](c3ccccc3OC)C2)cc1 523423880 PBEZMBINJFVDOG-LJQANCHMSA-N 443.503 5.389 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](CCCO)c2ccccc2)cc1Cl 525417295 YHGCQWQAHWTBGJ-LADGPHEKSA-N 433.939 5.631 30 20 IKED N#Cc1cccc(-c2nnc(COc3ccc(-c4nc5ccccc5s4)cc3Cl)o2)c1 525622393 GCTNLCVDOYLDAN-UHFFFAOYSA-N 444.903 6.117 30 20 IKED CC(C)N(CCc1nccs1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 532811251 LYNHXRCRTAZJEN-UHFFFAOYSA-N 434.565 5.273 30 20 IKED C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@H](CC(F)(F)F)c1ccc(F)cc1 536854558 VKPZXUCEGNVBBR-YVEFUNNKSA-N 436.371 5.845 30 20 IKED CC[C@H](C)Oc1cc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccn1 537514610 WHTJRZJOOSGMPC-IBGZPJMESA-N 444.535 5.226 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](Cc1ccccc1)c1cccs1 541594117 QDMMWSWEBYXPOA-GHTZIAJQSA-N 435.618 5.654 30 20 IKED CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 541639265 USBDZDOOKDYWQP-DHLKQENFSA-N 430.479 5.482 30 20 IKED C[C@H](NC(=O)C(=O)Nc1csc2ccccc12)c1ccc(-c2cccc(C#N)c2)cc1 543923298 KVRLSLSPQSATGH-INIZCTEOSA-N 425.513 5.256 30 20 IKED N#Cc1ccc(C(=O)Nc2cccc(CNC(=O)Nc3ccccc3Cl)c2)cc1Cl 548305954 RPLRUYWQYQLHPY-UHFFFAOYSA-N 439.302 5.439 30 20 IKED C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1 549274166 MCNFHUVUVLXFLA-UHFFFAOYSA-N 448.958 5.019 30 20 IKED COc1ccc(-c2ocnc2C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 554696067 QZJCVZTUPPREGU-UHFFFAOYSA-N 425.444 5.053 30 20 IKED Cc1cc(-c2cc(C(=O)N3CCc4ccc(C#N)cc43)c3cnn(C(C)C)c3n2)c(C)s1 555771737 FLDOMIKTPFJRKQ-UHFFFAOYSA-N 441.560 5.432 30 20 IKED Cc1ccc(-n2ncc(NC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)c2C(C)C)cc1 556996149 CULGOYJBEUXINU-UHFFFAOYSA-N 445.542 5.170 30 20 IKED CCSc1cccc(Br)c1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 561403171 LUWWYQFFDNVRID-AEFFLSMTSA-N 444.398 5.865 30 20 IKED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(c2ccccc2Br)CC1 563900849 MLSCKBHIKIBVGM-OXJNMPFZSA-N 445.405 5.098 30 20 IKED COC[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(Cl)c1 584255583 OEMBKYGUUJOASM-DEOSSOPVSA-N 449.938 5.494 30 20 IKED Cc1sc(C2(NCc3nnc(-c4cccc(C#N)c4)o3)CCC2)nc1-c1ccccc1F 590209584 QRQYKDFWSJGEEZ-UHFFFAOYSA-N 445.523 5.348 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)cn2)c1 603623320 HOIWBXMRLCMRFT-UHFFFAOYSA-N 440.484 5.312 30 20 IKED CC(C)Cc1ccc(C(=O)C2CCN(C(=O)CSCc3ccc(C#N)cc3)CC2)cc1 603690673 UBEWOQHROLEKBC-UHFFFAOYSA-N 434.605 5.111 30 20 IKED Cc1ccc(-c2nc(CC(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cs2)cc1 603763874 ABHBEEKTKQCOGB-UHFFFAOYSA-N 426.501 5.359 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(NC(=O)C4CC4)c3)cc2Cl)cc1 604026908 LXKIPZYVODAJKP-UHFFFAOYSA-N 431.879 5.605 30 20 IKED COCCn1ncc2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc21 604530799 JECNDOYPDZPHSC-UHFFFAOYSA-N 442.544 5.099 30 20 IKED C=CCCCN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)c(OC)c1)CC2 605645334 BFXDKLMJMRUAHD-JZJYNLBNSA-N 442.559 5.777 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1 606830628 HHNKAXICDJRGQO-UHFFFAOYSA-N 447.453 5.014 30 20 IKED C=CCn1c(=O)c2ccccc2n2c(S[C@@H](c3ccccc3)c3ccc(F)cc3)nnc12 607756160 DOYHZSCGXXSLBD-QFIPXVFZSA-N 442.519 5.251 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cnc(Cc4ccc(F)cc4)s3)cn2)cc1 608897265 VLSWCASRWDWPQQ-UHFFFAOYSA-N 430.464 5.184 30 20 IKED CC(C)CNC(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1Cl 608915989 GSFIRSKKVSKJKP-UHFFFAOYSA-N 426.948 5.040 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CNC(C)(C)c1ccc(Br)cc1 609385241 IKTXECYERYROTL-HNNXBMFYSA-N 446.414 5.164 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1oc2ccccc2c1COc1ccccc1 609428667 RRHGNHMDFHRCSS-GOSISDBHSA-N 442.540 6.658 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)c(OC)c1 609434593 BAFLSMWQAPDTKD-OXQOHEQNSA-N 425.554 5.467 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 609434725 LZOWMQHWFFNJRB-DYESRHJHSA-N 443.016 5.693 30 20 IKED COCCCCN(Cc1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609436834 HICLEASJKBRMCY-UHFFFAOYSA-N 429.520 5.811 30 20 IKED C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609929297 MKTCVGBNVCVTHQ-DYESRHJHSA-N 447.485 5.825 30 20 IKED C[C@@H](NC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1)c1cccc(C#N)c1 610720729 HSMCQGVLVUEGLQ-QGZVFWFLSA-N 438.453 5.445 30 20 IKED Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2cccc(C#Cc3cccs3)c2)c(C)c1 642480446 VALWCNDRGXLCIU-UHFFFAOYSA-N 431.561 5.176 30 20 IKED CC[C@H](C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 674491865 GZZGZICFMDHUKB-YDHLFZDLSA-N 449.357 6.225 30 20 IKED O=C(NC1CCC(c2ccc(F)cc2)CC1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 679791411 MJTIMRQVZQDZAX-DVMLXDCBSA-N 426.376 5.234 30 20 IKED C=CCCCCNC(=O)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 681187386 UARCIZUYEYIHEZ-QHCPKHFHSA-N 426.605 5.241 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OC)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 726572661 HYZZFDXVGRUYOU-UHFFFAOYSA-O 443.592 5.585 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C)c([N+](=O)[O-])c2)[n+]2ccccc2CC)c1 726574049 ZHQTWSBRGACDHU-UHFFFAOYSA-O 444.536 5.058 30 20 IKED COc1cc(/C=C/C(=O)c2sc(-c3ccc(Br)cc3)nc2C)ccc1O 727780614 QIYDNTDGRDPSPM-ONNFQVAWSA-N 430.323 5.491 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)c2)cc1 728766628 DNGYZVMOOJYTLZ-IBGZPJMESA-N 433.826 5.104 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)cc2)C[C@H](C)O1 730176855 BGKXSJJJUVUNNE-ROUUACIJSA-N 445.494 5.356 30 20 IKED N#Cc1ccccc1/C=C/C(=O)O[C@H](c1cc(Br)ccc1F)C(F)(F)F 730403262 ZWLFXRHORPCHGM-ZGRWHYIRSA-N 428.179 5.320 30 20 IKED CCc1cc(NN=C(C)c2sc(-c3ccc(C)cc3)nc2C)nc(-c2ccccn2)n1 730463850 UHCCMEIBHMTPCF-UHFFFAOYSA-N 428.565 5.677 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2sccc2SC(F)F)cc1Cl 730477154 JFDHWZVGXMZOCJ-OAHLLOKOSA-N 434.920 6.624 30 20 IKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccco2)c1 730528524 RKIBAGGJRJGMFL-NRFANRHFSA-N 433.533 5.003 30 20 IKED CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 732065658 UCLKALQCXDKLAW-NRFANRHFSA-N 449.551 5.016 30 20 IKED CCCCCCCC(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 732164019 QQLSTAZHYFPGEA-GOSISDBHSA-N 434.378 5.447 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccccc1Br 733079639 HUYMNDWQPAGZQQ-UHFFFAOYSA-N 436.235 5.156 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)ccc1OC 733276994 JOOBYZLMCGEOAR-JOCHJYFZSA-N 431.536 5.022 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(SC(C)(C)C)cc2C)ccc1OC 733632054 OXZNXJAKOKWKFD-SFHVURJKSA-N 441.597 5.897 30 20 IKED CCCN(Cc1ccccc1O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 735867439 ZTGLGTLYJVIROP-UHFFFAOYSA-N 433.483 5.426 30 20 IKED C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 739155744 URSZWWZNWNCXLN-ABAIWWIYSA-N 426.797 5.024 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 741538390 MSUQWAJIOYLAEE-QHCPKHFHSA-N 445.950 6.232 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Nc3c(F)cc(Br)cc3F)c2)s1 743214117 BXBBYRXKBCXLLX-UHFFFAOYSA-N 448.292 5.649 30 20 IKED Cc1cc(C=Nn2c(S)nnc2[C@H]2CCCCO2)c(C)n1-c1cccc(C(F)(F)F)c1 743451818 JEXSBOPMCTYAFG-GOSISDBHSA-N 449.502 5.117 30 20 IKED CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccccc2SCC#N)CC1 743956911 XPTVXRKMUAKDKT-UHFFFAOYSA-N 447.526 5.058 30 20 IKED COc1ccc(/C=C2/CSc3ccc(Br)cc3C2=O)cc1OCCCC#N 747361227 HZYLNTQJMPOTIM-GDNBJRDFSA-N 444.350 5.512 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)ccc1OCc1ccc(F)cc1 748583858 JFZRDXJRPLRRQX-UUILKARUSA-N 447.462 5.266 30 20 IKED COc1ccc(NN=Cc2csc(N(C(C)=O)c3cccc(C(F)(F)F)c3)n2)cc1 750923419 YRORLUBZJCKHCX-UHFFFAOYSA-N 434.443 5.301 30 20 IKED O=C(C[C@H]1SC(=Nc2ccsc2)N([C@H]2CC23CCCC3)C1=O)Nc1ccccc1F 757922478 ZCSJYZXICANWNJ-MSOLQXFVSA-N 443.569 5.180 30 20 IKED CC(C)(C)OC(=O)N1CCc2cccc(/C=C/C(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)c21 759122945 ZBEYFGMJKJSWBQ-ZRDIBKRKSA-N 432.520 5.110 30 20 IKED CCN1C/C(=C/c2cnc(C3CCC3)s2)C(=O)/C(=C/c2cnc(C3CCC3)s2)C1 760264018 JIOMYFZLLXMXJL-BUOZRGFLSA-N 425.623 5.506 30 20 IKED N#Cc1cccc(COc2ccc(NCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)cc2F)c1 760297089 QNVSIHFCGRJPNE-UHFFFAOYSA-N 444.422 5.452 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12 760786158 NVSOERPEFGPCKL-UHFFFAOYSA-N 449.432 5.726 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(CC[C@H](O)c2ccccc2)c1 762996649 PSJWUQSCVGTTGS-QHCPKHFHSA-N 425.488 5.169 30 20 IKED O=C(CC1CCC1)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 764755227 PXGDFINCLILVDN-UHFFFAOYSA-N 428.213 5.161 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nc1Cl 766841916 OSDLHQIXXRTYNH-LLVKDONJSA-N 438.723 5.664 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1cc(Cl)ccc1OCC#N 768404564 VVJSCAKWAKRFFY-UHFFFAOYSA-N 440.956 5.200 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(N(CC)Cc2ccccc2)cc1 770100181 NEOWPKZLWVFOPA-QHCPKHFHSA-N 441.531 5.073 30 20 IKED CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)Nc1ccccc1O[C@@H](C)C#N 770653335 NGGIBAYHYFGUSB-GOEBONIOSA-N 428.330 5.109 30 20 IKED N#C[C@@H](COC(=O)c1oc2ccccc2c1CSc1ncccn1)Cc1cccs1 772739204 YRYLTPHYHCMDSX-HNNXBMFYSA-N 435.530 5.116 30 20 IKED C#CCOc1ccc([C@H](C)N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)cc1 773027462 QSMUKJFZOFPTGT-KDYSTLNUSA-N 447.600 5.159 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc1 775487554 KJOXXVVGQCDTKK-LADGPHEKSA-N 449.913 5.740 30 20 IKED C[C@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)c1nnc(-c2ccc(Cl)cc2Cl)o1 777177851 RKLMUHBVTRCAKN-LBPRGKRZSA-N 428.275 5.517 30 20 IKED CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 777299217 AUBWFMWZVBHWMX-MCMMXHMISA-N 449.523 5.348 30 20 IKED CN(C)C1CCN(c2ccc(NC(=O)c3ccccc3Oc3ccccc3C#N)cc2)CC1 778073843 NZSOKHHVNXNTDQ-UHFFFAOYSA-N 440.547 5.133 30 20 IKED CC[C@H](C#N)SC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccc(OC(F)F)cc1 780329962 PJMXCDYMETVJEO-GEBKJHSDSA-N 443.475 5.076 30 20 IKED Cc1ncsc1-c1nc2ccccc2n1CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 780358413 LTJNBMLNDKBPFF-CQSZACIVSA-N 447.520 5.094 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)Cc1ccc(OCC#N)cc1 784109312 ZSQWKFSSYGAEJR-UHFFFAOYSA-N 431.492 5.494 30 20 IKED CCC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 794580692 ZFCXJKZCUVSKFA-FQEVSTJZSA-N 438.936 5.389 30 20 IKED C[C@@H](OC(=O)C[C@H](CC#N)c1ccccc1)C(=O)N1c2ccccc2Sc2ccccc21 795982397 HPSKCFIVIJAJCN-QUCCMNQESA-N 442.540 5.835 30 20 IKED O=C(Nc1cccc(/C=C2/C[C@H](C(=O)O)c3ccccc3C2=O)c1)c1ccc(Cl)cc1 806559346 AKACADCMHAKRLO-SJAXDAAESA-N 431.875 5.431 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 812189504 BJYJQLSSIJASNM-LMVRJCEZSA-N 447.410 5.120 30 20 IKED CN(CCC#N)c1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 814280084 XFUKBFVJXHPYNT-WQRHYEAKSA-N 431.945 5.235 30 20 IKED COc1cc(C(=O)Nc2sccc2C#N)ccc1OCc1ccc(Br)s1 915277851 DOMCSELLKDBKAZ-UHFFFAOYSA-N 449.351 5.284 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(OC)c1 915351550 DWEZUTBXGMZKAK-JWQCQUIFSA-N 441.531 5.728 30 20 IKED CC(=NNc1ccc(Cl)c(C(=O)O)c1)c1cccc(OCc2cn3ccccc3n2)c1 915938659 DBMUZGIVCDOXEK-UHFFFAOYSA-N 434.883 5.101 30 20 IKED N#Cc1cccc(COc2cccc(/C=C(\Cl)c3nc(O)c4ccc(Cl)cc4n3)c2)c1 915983806 AKXLPFKDQITDNP-NHDPSOOVSA-N 448.309 6.176 30 20 IKED CCOc1ccc(NC(=O)COc2ccc(/C=C\C(=O)c3cccc(F)c3)cc2OC)cc1 916134091 AXEZCSRRGQEHNB-QPEQYQDCSA-N 449.478 5.147 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2n1 916848671 MSUNYEQFVCPJOR-IERDGZPVSA-N 438.314 5.023 30 20 IKED Cc1nc(CSc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc2)cs1 916885482 XXONSYGHCNZZFW-IBGZPJMESA-N 441.965 5.358 30 20 IKED C=CCn1c(SC[C@@H](O)c2ccccc2C(F)(F)F)nc2sc(C)c(C)c2c1=O 918749176 AJCQVXZPQCPBLP-OAHLLOKOSA-N 440.512 5.105 30 20 IKED O=C1/C(=C\c2csc(-c3ccccn3)n2)COc2c(Br)cc(Cl)cc21 920068864 ZTIJUXSQGJSSPQ-YHYXMXQVSA-N 433.714 5.280 30 20 IKED Cc1ccc(C)c(OCCCCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 920323257 HJCVBSFMGHWBQT-QGZVFWFLSA-N 433.335 5.507 30 20 IKED Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccccc2OCC#N)c2ccccc2)cc1Cl 920414527 UXZSKSULCXLXSO-QFIPXVFZSA-N 434.879 5.088 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3nccc4[nH]ccc34)CCC2)cc1 1786103555 NTUNRUPSVAFNLZ-UHFFFAOYSA-N 428.536 5.079 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)COC4)cc2)CCC1 1789035103 RECIDAVOMJPGRQ-XMMPIXPASA-N 430.548 5.233 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc4cccc(C)c4[nH]3)CCC2)cc1)C(F)(F)F 1791302645 DZHQYBIJIYLIDT-UHFFFAOYSA-N 441.453 5.343 30 20 IKED CC(C)(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)C4(C#N)CCC4)cc3)CCC2)cc1 1792233385 KGCVGGLESRGFFM-UHFFFAOYSA-N 445.563 5.305 30 20 IKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc3c1oc1ccccc13)C2 1802631088 HLRBYQWNCGJLJD-ACDBMABISA-N 428.532 5.031 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCc2ccc(C(F)(F)F)cc2)n[nH]1 1815150807 BHXPOCNSRHYRKL-LJQANCHMSA-N 448.489 5.020 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3cc[nH]c3c2)n[nH]1 1818487265 AWBKHJFDFYSFEF-OAQYLSRUSA-N 433.556 5.189 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3sccn3c2)[nH]n1 1819554271 PGIPNKDUCYEEGR-SFHVURJKSA-N 439.585 5.022 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)c(C)cc2F)n[nH]1 1823202991 UUOFJHRZHAUQQP-OAQYLSRUSA-N 442.510 5.071 30 20 IKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC(C)C)cc2)CC1 1824961158 JJIMSHWWALLJEQ-DEOSSOPVSA-N 442.669 5.038 30 20 IKED CN(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(Cl)cc2)cc1 10832054 ABOLMUNHPLCCFU-UHFFFAOYSA-O 446.930 5.023 30 20 IKED C=CCn1c(SCC(=O)N(CC)c2ccccc2C)nnc1-c1ccc(Cl)cc1 11450127 YEBBDVMNYVWKJN-UHFFFAOYSA-N 426.973 5.238 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)nnc1-c1ccccc1 21280687 MCLTYIAGRRDUHZ-QGZVFWFLSA-N 434.565 5.089 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(C)s1)[n+]1ccc2c(c1)CCCC2 22732060 MRFBEDPYSCNNAV-UHFFFAOYSA-O 435.638 5.836 30 20 IKED N#Cc1ccc(CN2CCCN(C(=O)c3cc4sc5ccccc5c4s3)CC2)cc1 24612486 KCWZWPFDANTSOJ-UHFFFAOYSA-N 431.586 5.336 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1C1CC1 26754595 MPGGSVPLTFGOPE-CQSZACIVSA-N 430.624 5.098 30 20 IKED COc1ccccc1[C@H](CNC(=O)c1ccccc1-c1ccccc1C#N)N1CCCCC1 59782698 FDWSAMDSKKUCKK-SANMLTNESA-N 439.559 5.191 30 20 IKED C=CCn1c(SCCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1cccc(Cl)c1 59794836 QZDYJMWJUHGATC-UHFFFAOYSA-N 440.956 5.108 30 20 IKED C=CCN(CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1ccc(Cl)s1 71818047 YSAQMABRCXQFID-UHFFFAOYSA-N 428.989 5.221 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3ccccc3SCCC#N)cc(-c3ccco3)nc21 78668829 UXMOHQOWTFDUMZ-UHFFFAOYSA-N 431.521 5.530 30 20 IKED Cc1ccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)cc1NC(=O)c1ccccc1 78719006 QLVRMACTKADTTP-XMMPIXPASA-N 425.532 5.540 30 20 IKED Cc1ccc(-c2nc(CSc3nc(N)c(C(=O)Nc4ccccc4)cc3C#N)cs2)o1 106190103 XGGSGDWFLWJQIT-UHFFFAOYSA-N 447.545 5.105 30 20 IKED CC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 108372823 PXVKWJAFXZKMOW-UHFFFAOYSA-N 428.532 5.647 30 20 IKED C=CCn1c(SCC(=O)N(Cc2ccccc2)c2ccccc2)nnc1-c1ccccc1 302918562 BXRQPEJPNNBVAG-UHFFFAOYSA-N 440.572 5.457 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)CSc1ccc(C#N)cc1 303355393 ZJLNHMPJHSVHRZ-CYBMUJFWSA-N 427.982 5.613 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)s1 430613753 WPJCJYYHNPKIRT-ZDUSSCGKSA-N 425.945 5.042 30 20 IKED CN(C(=O)NCCCCC#N)[C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 431981941 PEEPIBBZGHBMPK-LJQANCHMSA-N 434.765 5.527 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(C(F)(F)F)ccc1Br 432432871 UALIHBQSZYMYHU-UHFFFAOYSA-N 427.220 5.379 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1)c1ccccc1 435766039 UHFTXSAAFOHDPQ-IFMALSPDSA-N 434.515 5.472 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nc(-c2cccc(F)c2)no1 437144880 KMYYSZZNRIMXLD-AWEZNQCLSA-N 446.413 5.170 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2OC)cc1 437844975 VMXLWCQUDIMDFR-SFHVURJKSA-N 429.520 5.857 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](Oc2ccccc2Cl)C1 443938327 PHHKJQRRPORMCV-SJORKVTESA-N 429.973 5.667 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)c1C#N 445562641 FMWVHQAJWDYCDS-KGLIPLIRSA-N 426.904 5.001 30 20 IKED O=C1N[C@@H](CC(F)(F)F)C(=O)N1c1ccc(Oc2ccccc2C(F)(F)F)c(F)c1 445949724 PJWNCPJNIXMJOZ-LBPRGKRZSA-N 436.283 5.014 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)cc1 460679276 SGBKVRMIIZDOMT-UHFFFAOYSA-N 442.947 5.275 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(CC(F)(F)F)c2)cc1C 464417631 DGKGGNKRTLDQBS-UHFFFAOYSA-N 426.442 5.438 30 20 IKED COc1cccc([C@H](NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c2ccccc2Cl)c1 466055787 ZTRXTVBUBPEYIS-VWLOTQADSA-N 447.966 5.930 30 20 IKED Cc1sc(NC(=O)C[C@@H](CC#N)c2ccccc2)nc1-c1ccc2c(c1)CCC(=O)N2 466621284 XOBILYYQPBKHHI-QGZVFWFLSA-N 430.533 5.029 30 20 IKED CC[C@H](NC(=O)Nc1cc(F)ccc1OCC(F)(F)F)c1nc(C(F)(F)F)cs1 466693265 AXGYZMNIWDHTET-VIFPVBQESA-N 445.360 5.515 30 20 IKED Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N(CCC(F)(F)F)CC(F)(F)F 468540798 IJUNMWFPJZFXFS-UHFFFAOYSA-N 447.301 5.361 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 469677380 OEPJOASOUGAOJQ-MRXNPFEDSA-N 427.520 6.070 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc(F)c(Br)cc2Cl)c1C 476090960 QBNHTZHXEAGNAL-UHFFFAOYSA-N 447.695 5.168 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 478770985 OHUSOCUMCSFHQR-UHFFFAOYSA-N 437.519 5.078 30 20 IKED Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cc2)n1 479786585 VARTUKQHVCOVJA-LJQANCHMSA-N 437.503 5.039 30 20 IKED N#CCCn1cc(CNc2ccc(Oc3cccc(F)c3F)nc2)c(-c2ccccc2)n1 485962309 CUEOBINLTCETSU-UHFFFAOYSA-N 431.446 5.541 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c(F)cccc2Br)cc1Cl 486758415 YGSNWQVNSMGUNT-MRXNPFEDSA-N 443.703 6.149 30 20 IKED N#CCCC[C@H](NC(=O)c1cc(I)ccc1Cl)c1ccccc1 487589327 CFLOWSCQOCAUBZ-KRWDZBQOSA-N 438.696 5.110 30 20 IKED CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)cc1Cl 489192828 BYFRKSKZSWUAIW-OAQYLSRUSA-N 441.959 5.172 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3cccs3)o2)nnc1-c1cccc(Cl)c1 489642433 HIQQRAMRGRBPMN-GFCCVEGCSA-N 429.958 5.749 30 20 IKED O=C(Nc1ccc(F)c(F)c1)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 497497154 UOJIWBFUGFEAMB-UHFFFAOYSA-N 429.263 5.099 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)cc1C 497520108 NUMWFDXPQUKZPW-KRWDZBQOSA-N 438.478 5.173 30 20 IKED COc1ccc([C@@H](NCc2ccc(C#N)cc2OC)c2ccccc2)cc1Br 500876371 PFAGZJGRRIAJMJ-QHCPKHFHSA-N 437.337 5.217 30 20 IKED COc1cc(C)c(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1OC 502620061 FZQOWTXEVWBBLL-UHFFFAOYSA-N 431.492 5.301 30 20 IKED CC(C)c1nccn1Cc1cccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1 503627435 JTGAXJKELOXCPY-UHFFFAOYSA-N 425.536 5.248 30 20 IKED N#C[C@@H](NC(=O)c1cccc(OCc2cccnc2)c1)c1ccc(OCc2ccccc2)cc1 505329885 HHIFQPSCQWYYTP-HHHXNRCGSA-N 449.510 5.234 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1 505339226 UGEZMINECWMVSG-KRWDZBQOSA-N 438.742 5.626 30 20 IKED COc1cc([C@H](C#N)NC(=O)C(C)(C)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC 505501049 MSNOTMBPWQWMQE-QFIPXVFZSA-N 444.531 5.038 30 20 IKED COC(=O)c1ccoc1CSc1ccccc1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 505816292 VXJGUOOLBSMLRY-GOSISDBHSA-N 440.908 5.007 30 20 IKED C[C@H](C#N)CSc1ccccc1N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 506266985 GKGKGUGHWDXFQI-RDTXWAMCSA-N 435.471 5.054 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1coc(-c2ccc(F)cc2)n1 507155918 IQGZVFSONAIUCP-UHFFFAOYSA-N 443.503 5.476 30 20 IKED C=CCn1c(-c2ccccc2Br)nnc1N1CCC(OC2CCCCC2)CC1 508712007 CZDKNHRNNOHRJI-UHFFFAOYSA-N 445.405 5.212 30 20 IKED C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(Nc2cccc(C)c2)CC1 508748242 QJUNBWYAMXASKW-IBGZPJMESA-N 435.547 5.133 30 20 IKED O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 509475048 FWNDEBNHCDIRKL-LLVKDONJSA-N 433.299 5.203 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 509621097 WSUGBCCBAWOVIC-UHFFFAOYSA-N 447.495 5.046 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)c1C#N 509784566 YPWYCZZKBUIAHX-UHFFFAOYSA-N 443.454 5.009 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cccc(Cn2ccnc2)c1 510727522 AAOYMXNVXBEHJU-UHFFFAOYSA-N 437.503 5.226 30 20 IKED N#Cc1ccc(NC(=O)CNc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)cc1Cl 511676503 VZYKDSVHBKHIMI-UHFFFAOYSA-N 446.816 5.468 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc(Br)c2c(c1)OCO2 512321426 HIGBROKINJUINZ-UHFFFAOYSA-N 427.279 5.030 30 20 IKED COc1ccccc1-c1csc(NC(=O)c2cccc(COc3ccccc3C#N)c2)n1 513506711 ODJDZLZXRNEVLP-UHFFFAOYSA-N 441.512 5.522 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1cccc(Br)c1 518147674 GLYGHWYPEDGUBU-CQSZACIVSA-N 435.412 5.715 30 20 IKED CSc1cccc(NC(=O)[C@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 518148391 UIKOSTUOKZITKD-ZDUSSCGKSA-N 439.528 5.872 30 20 IKED C[C@H](c1cccs1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 518149239 HBDIIJZPTVQDJC-DNVCBOLYSA-N 437.952 5.215 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3OCc3ccncc3)c2)c1 518292790 PWCQOEMFWKTYDF-UHFFFAOYSA-N 448.482 5.037 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NCC3(c4ccccc4Cl)CCOCC3)c2)cc1 518492560 BLSKLTPSOJXSHP-UHFFFAOYSA-N 446.934 5.482 30 20 IKED COc1ccc([C@H](NCc2ccc(C#N)cc2C(F)(F)F)c2ccccc2OC)cc1 519735195 QLOBHHYCAKHPSJ-QHCPKHFHSA-N 426.438 5.473 30 20 IKED Cc1noc(C)c1CSc1ccccc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 521515162 SSPPIJVNWVSZNS-UHFFFAOYSA-N 447.560 5.139 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(NC(=O)CSc4cccs4)cc3)[nH]c12 522829458 FDGORCIFYOHMBX-QGZVFWFLSA-N 446.557 5.154 30 20 IKED Cc1ccc(C)c(OC2CCN(C(=O)Nc3cccc(C#Cc4ccccn4)c3)CC2)c1 523587415 RQOSZZILNUHKML-UHFFFAOYSA-N 425.532 5.174 30 20 IKED C=CCn1c(SCc2nc([C@H](C)OCC)no2)nnc1-c1ccc(C(C)(C)C)cc1 524239238 QVUKUXXTSBPHIP-HNNXBMFYSA-N 427.574 5.201 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(COCc4ccco4)c3)o2)cc1 524379375 AJOXXARFVBKXPZ-UHFFFAOYSA-N 428.444 5.292 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](CN3CCCCC3)C2)cc1Cl 525841112 NDWXARBLJKNOIT-WMZHIEFXSA-N 436.987 5.335 30 20 IKED CC(C)(C)S(=O)(=O)Cc1ccc(NCc2cccc(OCc3cccc(C#N)c3)c2)cc1 533211068 YFEDPDGWULMACT-UHFFFAOYSA-N 448.588 5.463 30 20 IKED CCc1nc(C)c([C@@H](C)N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)s1 533295434 ZVZYGXVZBLJWON-QGZVFWFLSA-N 427.618 5.051 30 20 IKED CC(C)Cn1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1C(F)F 534621324 RHCUBHBVHDEIAG-UHFFFAOYSA-N 442.441 5.319 30 20 IKED COCCOc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)nc2ccccc12 535405755 IHPFGSCGBMBNBB-OAHLLOKOSA-N 437.908 5.013 30 20 IKED Fc1ccc(-c2nc(CN[C@@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)co2)cc1F 537221085 RSFLPGBLGIYOAF-INIZCTEOSA-N 436.302 6.032 30 20 IKED CCc1nc2ccccc2n1C1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 537928942 MJAFPUAHHBJSCE-SFHVURJKSA-N 447.608 5.862 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Br)cc1C(F)(F)F 538442146 DCWYAOARPWJLQH-NSHDSACASA-N 443.288 6.114 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1 541496936 CFTFOTXGPCEJPD-MGPUTAFESA-N 447.457 5.217 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3nn(-c4ccc(F)cc4)c4c3CCC4)n2)cc1 548926753 BGNUBNCBETYFAH-FQEVSTJZSA-N 442.519 5.422 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(F)cc2OC2CCOCC2)cc1 552952156 SXZAXYKNPDXHCX-UHFFFAOYSA-N 446.478 5.086 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(Oc2cccnc2)c(F)c1 557727949 NEYKEFSMFYWRCY-MRXNPFEDSA-N 436.512 5.729 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 558337964 BRYNCBFPJOBDMO-SJLPKXTDSA-N 447.526 6.369 30 20 IKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(CN[C@H](C)c2ccc(C#N)cc2)cs1 558742932 PQCLWNJSIHGCNO-CYBMUJFWSA-N 445.375 5.857 30 20 IKED C=C(C)Cn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N1CCC(CC#N)CC1 558990573 CTGLFBJUYUVOOD-UHFFFAOYSA-N 438.535 5.459 30 20 IKED C=C(C)Cn1c(C2CCCC2)nnc1N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 558992338 VKHGQGFHNJUMFB-LJQANCHMSA-N 436.535 5.085 30 20 IKED N#Cc1cc(C(=O)N2CCC(c3cccc(Cl)c3Cl)CC2)cnc1C(F)(F)F 560903197 LMOOOXPXDNNFNX-UHFFFAOYSA-N 428.241 5.299 30 20 IKED C[C@@H](NC(=O)N1CCC(Oc2ncccc2F)CC1)c1ccc(-c2cccc(C#N)c2)cc1 569092508 OMQDADSXCYHXPD-GOSISDBHSA-N 444.510 5.073 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(C)[C@H](C)Cc1ccccc1C(F)(F)F 584131806 YUHRIYLUYAPUAE-HZPDHXFCSA-N 435.515 6.052 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCC1(c2ccccc2Cl)CCOCC1 592354899 PYYFRFSIGCCNLU-UHFFFAOYSA-N 439.408 5.501 30 20 IKED Cc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1[N+](=O)[O-] 603613569 BEFCQUPUTXUNAQ-CQSZACIVSA-N 432.288 5.824 30 20 IKED CCC(CC)[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1cccs1 604226557 WILWHEMEUODGBR-QFIPXVFZSA-N 448.548 5.039 30 20 IKED COc1cccc(C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)CC2)c1 604525729 VNMUAMQHFZZHHS-UHFFFAOYSA-N 428.492 5.166 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccc(O)cc3)Cc3ccco3)cn2)c1 609206130 ADAKAJOGFPKECS-UHFFFAOYSA-N 440.459 5.278 30 20 IKED C[C@@H](C#N)CSc1ccccc1NCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 609384777 VXGWKKVBFJIDKM-LBPRGKRZSA-N 427.879 5.661 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)CCc2ccc(-c3ccccc3F)o2)CC1 609508921 DTBGTYGKPHOAHP-UHFFFAOYSA-N 432.495 5.396 30 20 IKED CC(C)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 609940116 OPESCOMYAQWEAD-UHFFFAOYSA-N 427.504 5.071 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)c1ccc(-c2ccccc2OC)cc1 610189279 SNGKWAAZNWFLFV-LJQANCHMSA-N 444.531 5.279 30 20 IKED COc1cccc2c1OCC[C@H]2NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 611802657 WQGWYSOBHVOSFX-GAJHUEQPSA-N 427.504 5.118 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccccc2Cl)on1)c1nc2cc(C(F)(F)F)ccc2s1 613403001 AHPJRMNPSUPBQK-LBPRGKRZSA-N 447.825 6.114 30 20 IKED C=CCn1c(SCc2cccc(C(=O)Nc3ccccc3)c2)nc2ccccc2c1=O 614381394 KOTKXKRWFISONL-UHFFFAOYSA-N 427.529 5.127 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2ccc(Cl)cc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 677468010 WYHHFRKAAGEMEG-AWEZNQCLSA-N 446.841 5.644 30 20 IKED C#Cc1cccc(NC(=S)N[C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)c1 726465361 WGWDYKBAYZLDLS-QGZVFWFLSA-N 431.536 5.036 30 20 IKED N#CCOc1ccc(CSc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)cc1 729241866 GMSTWPUESHUAAB-UHFFFAOYSA-N 446.963 5.841 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 729337871 LAPWJJCIXNQGBH-FQEVSTJZSA-N 437.540 5.330 30 20 IKED CC(=O)C1=C(c2ccc(C)cc2)N(Cc2ccc(C(=O)O)cc2)C(=O)N[C@H]1c1cccs1 731469919 DOSCAOUKVPYXQD-QFIPXVFZSA-N 446.528 5.022 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)ccc1OC 733653759 MBDMSFXGHAQSKT-HSZRJFAPSA-N 435.568 5.374 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)C2(c3ccc(Br)cc3)CCCC2)c1 733771703 YSRZDHCSNQZDMW-HXUWFJFHSA-N 441.369 5.258 30 20 IKED Cn1nc(-c2ccccc2)c(C=Nn2cnnc2SCc2ccc(Cl)cc2)c1Cl 734745359 LEIPZDOYWYFJFD-UHFFFAOYSA-N 443.363 5.160 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl 740786596 RFKNRRVWRHBCGS-AWEZNQCLSA-N 445.972 6.334 30 20 IKED COc1ccc(-c2cc(C(=O)OCc3nnc(-c4ccc(C#N)cc4)o3)sc2C)cc1 741824984 CKSCRNHFEAGPET-UHFFFAOYSA-N 431.473 5.011 30 20 IKED C/C(=C/C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c1cccc(C(F)(F)F)c1 742561028 OLZCGPIRPJBGOP-ZROIWOOFSA-N 426.360 5.571 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(C)c(NC(=O)OC(C)(C)C)c2)cc1 742578696 KCVHMGZBJUNNAE-UHFFFAOYSA-N 449.551 5.409 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)N[C@H](C)c3cccc(C#N)c3)cc2C(F)(F)F)C[C@@H](C)O1 743143328 KVQKCYKDJCRLRM-OWCLPIDISA-N 446.473 5.073 30 20 IKED COc1ccc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1SC(F)(F)F 743850208 PNPFDOUPNLRTBV-UHFFFAOYSA-N 427.332 5.624 30 20 IKED Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 744035403 RJLZIUKKKMSZOP-PZJWPPBQSA-N 449.963 5.139 30 20 IKED C/C(=C/C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccccc1C(F)(F)F 745274659 VCIYXRZZYALBTO-YARYAAFXSA-N 448.416 5.126 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1Cl 747108591 IHDWQUNOPNILLL-GXFFZTMASA-N 425.699 5.106 30 20 IKED Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3sc4cc(Br)ccc4c3Cl)nc12 750726958 ZJNOHYRDTHPDHC-LLVKDONJSA-N 445.729 5.387 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(OC)cc2F)cc(Br)c1OC(F)F 750894329 WALHQLXLLYSKIB-DAXSKMNVSA-N 445.231 5.493 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCCCC[C@@H]2C[C@@H](O)c2ccco2)cc1 752102696 RAOLIRFOELGGEW-ILBGXUMGSA-N 444.531 5.239 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2cccc(Cl)c2o1 753529397 XLYMDKFVEBQHNA-CYBMUJFWSA-N 428.897 5.133 30 20 IKED C/C(=C/c1ccccc1Cl)C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 756287259 QEJNOUHXSFHASL-UGEDRFTOSA-N 428.941 5.319 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/CCc3c(Cl)cccc3C2=O)cs1 758040445 QHOIFHQFKIUXOE-KAMYIIQDSA-N 443.355 6.347 30 20 IKED CC(=O)N(c1nc(/C=C2/Oc3cc(C)c(C)cc3C2=O)cs1)c1ccc(F)cc1F 759118262 UOULMRZCSYIIKU-AWQFTUOYSA-N 426.444 5.339 30 20 IKED CC(C)[C@@H](NC(=O)OC(C)(C)C)c1noc(-c2ccc(Oc3ccc(C#N)cn3)cc2)n1 762037964 WEXZKBRNNWZEDL-LJQANCHMSA-N 435.484 5.017 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCc1cc(=O)oc2cc(C)c(C)cc12 768407697 UGLLQKXBTBJPCA-UHFFFAOYSA-N 433.533 5.059 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2cnn(-c3cccc(Cl)c3)c2C)ccc1OC 772980552 SPMXRGFALNNXOE-HRAATJIYSA-N 438.959 5.375 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)OCc1nnc(-c2ccccc2Cl)o1 777980287 GWENAJNPEXLEMX-UHFFFAOYSA-N 431.835 5.411 30 20 IKED O=C(NOCCC(F)(F)F)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F 779433018 JEQWFJPKIBSGQB-UHFFFAOYSA-N 430.292 5.365 30 20 IKED COc1ccc(O)cc1C(=O)/C=C/c1csc(N(C(C)=O)c2ccc(Cl)cc2)n1 779711217 KWJSGGKOEPHCOH-WEVVVXLNSA-N 428.897 5.091 30 20 IKED COC(=O)Nc1cc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1F 782568150 ROCAXLHBDQPCPJ-OAHLLOKOSA-N 432.455 5.425 30 20 IKED C[C@@H](NC(=O)N1CCC([C@@H](O)c2ccccc2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 782755174 NYNZKUWHSAKCEE-HRFSGMKKSA-N 439.559 5.441 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)Nc3cccc(SC(F)F)c3)cc2)c1 784324878 STVZJBZEWWQWNE-UHFFFAOYSA-N 439.443 5.242 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)O[C@@H]([C@H]2CCCOC2)C(F)(F)F)cc1Cl 789661295 SKICLVFPCYGEBF-KXBFYZLASA-N 439.817 5.518 30 20 IKED COc1ccc(/C=C(\Cl)c2nc3cc(Br)ccc3o2)cc1OCCCC#N 794740185 SYFJPLFCGIPLRB-GDNBJRDFSA-N 447.716 6.018 30 20 IKED O=C(/C=C/c1ccc(Br)cc1C(F)(F)F)c1cccc(N2CCOC2=O)c1 794934268 HYPUCAMZHPZYKE-FNORWQNLSA-N 440.215 5.321 30 20 IKED N#C[C@H](C(=O)CCc1cnc2ccccc2c1)C(=O)Nc1ccccc1Oc1ccccc1 796631624 HWYMVIVCTNQNLU-JOCHJYFZSA-N 435.483 5.307 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 806266933 LGZCDCTUQXANDC-UHFFFAOYSA-N 441.576 5.099 30 20 IKED COc1cc(/C=C2\CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OCC(F)F 809154802 FVCCZHFPECBXBS-GONBZBRSSA-N 445.418 5.086 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@@H](c2noc(-c3cn(CCCC#N)c4ccccc34)n2)C1 809364974 MZZDBYQTMZICQO-QGZVFWFLSA-N 435.528 5.110 30 20 IKED N#CCCn1cc(CN(Cc2ccccc2)C[C@H](O)c2ccccc2)c(-c2ccccc2)n1 809698783 IRPZPPTWKPBKJS-MHZLTWQESA-N 436.559 5.200 30 20 IKED CC(C)(C(=O)[C@H](C#N)c1nc2ccccc2o1)c1csc(-c2c(F)cccc2Cl)n1 810534729 ACJVOSKWMOFNHR-LBPRGKRZSA-N 439.899 5.898 30 20 IKED C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813219065 WHFDJUCNOASWQX-GWCFXTLKSA-N 429.211 5.057 30 20 IKED CC(=NOCC(=O)N[C@@H](C)c1ccc2ccccc2c1)c1nc2ccccc2n1C(F)F 813875170 IGLKIMWMYCTDDF-HNNXBMFYSA-N 436.462 5.203 30 20 IKED Brc1ccc(NN=Cc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 912828183 YNCNAERJZODIAJ-UHFFFAOYSA-N 432.325 5.202 30 20 IKED Cc1ccc(N2C(=O)CC[C@H](C(=O)N[C@H](C)c3ccc(C#N)cc3)[C@@H]2c2cccs2)cc1 914485886 YIHMDRKYENJELV-WSUBETFTSA-N 443.572 5.290 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2)o1)c1nc(-c2ccc(Cl)cc2)cs1 915101459 HJVMXQKYFUUJFG-SFHVURJKSA-N 433.920 5.928 30 20 IKED Cc1oc(-c2ccccc2)nc1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915102259 URHUDOHWLCGQMC-SFHVURJKSA-N 433.920 5.846 30 20 IKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1OCC(C)C 916884237 ULIABVSGRJERII-KRWDZBQOSA-N 448.491 5.006 30 20 IKED CC(=O)c1ccc(-c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)o2)cc1 916927151 DKNKOEWKLCTWLN-MRXNPFEDSA-N 441.270 5.417 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(COc3ccc(F)cc3)o2)cc1 916947501 LKGJYYCZWGITCZ-KSFYIVLOSA-N 434.467 5.472 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](CC(C)C)NC(=O)c3ccccc3C)n2)cc1 916971911 GACDQTKDRNLGSK-FGZHOGPDSA-N 445.588 5.448 30 20 IKED N#Cc1ccc(CSCC(=O)OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 917264047 UYSBVUHRARCCHL-UHFFFAOYSA-N 448.491 5.677 30 20 IKED C=CCn1c(Cc2ccccc2)nn(CN(C)Cc2cc(Br)cs2)c1=S 917458037 ZYNXPVBLBLJHCI-UHFFFAOYSA-N 449.443 5.104 30 20 IKED Sc1nnc(-c2ccccc2Br)n1N=Cc1cc(Cl)cc(Cl)c1 917540514 UCJXTPFMMHSAAE-UHFFFAOYSA-N 428.142 5.185 30 20 IKED CC(=O)Nc1cccc(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 917600211 ODBHDSVNWWDIAR-UHFFFAOYSA-N 436.924 5.771 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1 920139656 WSKAOLIXEZAIIA-FZKQIMNGSA-N 439.518 5.084 30 20 IKED CCCc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 920143242 OFJPDFSFXYODPR-OAQYLSRUSA-N 432.545 5.611 30 20 IKED CCN(C(=O)c1cc(C#N)c(SC)nc1O)[C@H](c1ccc(C(C)C)cc1)c1cccnc1 1360037527 MLYZHPRESAQRJA-JOCHJYFZSA-N 446.576 5.151 30 20 IKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc(C)oc4C)cc3)CCC2)c1 1787345881 GUCPPZQVSOBXGQ-UHFFFAOYSA-N 427.504 5.138 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)C4CCC(F)(F)CC4)CCC3)cc2)c1 1790255727 LMKPORPKHJQJDH-UHFFFAOYSA-N 437.490 5.131 30 20 IKED Cc1ccn(C)c1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792125068 RGNDPQZRPDJCRX-LJQANCHMSA-N 440.547 5.022 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c2ccccc2n2ccsc12 1799130802 OJFWGCKGNOCFMA-IYWMVGAKSA-N 447.604 5.174 30 20 IKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1sc3ccccc3c1Cl)C2 1802631148 YTMVAQSNOXZDJD-BJWYYQGGSA-N 428.985 5.000 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3c[nH]c(C(C)(C)C)c3)CC2)C1 1804858343 AWLQBSFAXLSWNX-UHFFFAOYSA-N 427.633 5.149 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cc3c[nH]c4ccc(C)cc34)C2)CC1 1806891740 ROUPVHMXYSCTLA-UHFFFAOYSA-N 449.639 5.242 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC)cc2C)[nH]n1 1819555574 MXHDNPWWEYDQLG-OAQYLSRUSA-N 438.572 5.025 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(F)cccc2Cl)n[nH]1 1820431081 ZPYLRGIMLWLXAX-KXBFYZLASA-N 444.938 5.277 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3nscc23)n[nH]1 1821517003 GZGVNJWVTXDKBY-NRFANRHFSA-N 449.580 5.094 30 20 IKED CCC[C@H]1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)CC1 1822100328 BJYHCLXBKSLCFP-KKLQWCBXSA-N 447.583 5.194 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(OCC)c2)CC1 1830106518 YRGONCHEMVQEQB-XMMPIXPASA-N 440.628 5.311 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)c2ccc(Cl)cc2)CC1 1831367024 DRMJTMXYPKKHMI-SFYKDHMMSA-N 431.020 5.275 30 20 IKED CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](C)ON=C(C)C)CC2)CC1 1831562405 PVPWLBGTHUFTEL-LUGTWXOSSA-N 447.664 5.014 30 20 IKED CCOCCCn1c(S[C@@H](C)C#N)nc2scc(-c3ccccc3Cl)c2c1=O 9361942 SJWMLSSVUWTWPJ-ZDUSSCGKSA-N 433.986 5.209 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(OCC)cc2)cc1 10173913 KVDFOAPMMGNXOZ-UHFFFAOYSA-O 447.624 5.993 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccccc2C)[n+]2ccc(C(C)(C)C)cc2)c1 11167686 PXDXEESGUFDZOT-UHFFFAOYSA-O 431.625 6.248 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2ccccc2F)cc1 11169710 RKLQKJSLRVDZCL-UHFFFAOYSA-O 448.370 6.033 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl 15817807 BVVYHLGIXXOJLV-UHFFFAOYSA-N 444.844 5.134 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1cc(F)ccc1F)[n+]1ccccc1CC 22732036 UVZLBQWHFAGILF-UHFFFAOYSA-O 425.524 5.428 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1csc(-c2ccco2)n1 25352955 NHWLBDSXFITLCE-UHFFFAOYSA-N 428.514 5.191 30 20 IKED Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)NC3(C#N)CCCC3)cc12 60852619 PSUFGSSGNVTCLS-UHFFFAOYSA-N 433.364 5.328 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1cccc(OCC#N)c1 108076166 DJQCBMRNUOYNQM-UHFFFAOYSA-N 425.897 5.117 30 20 IKED O=C(NC[C@H](O)c1ccccc1C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 113299444 IVVXAISITWBFSB-AWEZNQCLSA-N 445.281 5.206 30 20 IKED N#Cc1ccc(C(F)(F)F)c(N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)c1 302242851 PIUPGPBIOBAIHG-ZDUSSCGKSA-N 439.363 5.023 30 20 IKED CCCN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@@H](C)C(=O)Nc1ccccc1 303214644 SRJMCQJZSWIWKJ-IBGZPJMESA-N 427.504 5.230 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1I 303296689 NRUAMWNEMQZVIB-LBPRGKRZSA-N 436.318 5.104 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1ccc(OC(F)(F)F)cc1 303420034 YCIHNCKTXUGDSH-OAHLLOKOSA-N 437.487 5.050 30 20 IKED C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1noc(Cc2ccccc2)n1 431187111 MPLQCPFMALRRFN-QGZVFWFLSA-N 439.475 5.207 30 20 IKED C[C@@H](c1cccc(Br)c1)N1CC(=O)N([C@@H](CCCC#N)c2ccccc2)C1=O 432032799 NGLADIUYHMKNRF-JXFKEZNVSA-N 440.341 5.209 30 20 IKED Cc1c(C#N)cccc1NC(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 432843343 ZXCQMBAJMRZBHC-UHFFFAOYSA-N 448.320 5.063 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](Sc2cccc(Cl)c2)C1 433145800 IWZDSSYILAWOFA-MAUKXSAKSA-N 432.014 6.133 30 20 IKED Cc1ccc(CN(CCCC2(C#N)CCOCC2)Cc2cccs2)c(Br)c1 439470328 PIKKDJNZZRBYOE-UHFFFAOYSA-N 447.442 5.922 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(-c4noc(C5CC5)n4)c3)n2)cc1 442872110 NDZGQBLKSGVKPZ-LJQANCHMSA-N 437.484 5.099 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 445143361 PNIQWRJKULNRAS-UHFFFAOYSA-N 429.479 5.150 30 20 IKED CC(C)(Cc1nc2ccccc2[nH]1)C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 462272036 NUUVNTYTFRSAGV-DEOSSOPVSA-N 438.531 5.092 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3cccc(C[S@](=O)C4CCCCC4)c3)on2)c1 469055462 TYRRHFKEPTZHDD-HKBQPEDESA-N 433.533 5.047 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(=Cc2ccc(F)c(F)c2)CC1 469447022 WVNFMKYAVCCDOS-KRWDZBQOSA-N 441.547 5.477 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3cncc(-c4ccc(Cl)cc4)c3)ccc21 469958117 ZWDLBFCLBYBEAO-UHFFFAOYSA-N 444.922 5.237 30 20 IKED Cc1cnccc1OC1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 470419558 RFHLNGXFBHOUJZ-UHFFFAOYSA-N 447.922 5.391 30 20 IKED C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 470541785 CNEONFAXVZCCPH-UZUQRXQVSA-N 434.515 5.024 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)c1 473791236 XKVPHLMKUIEYBU-IBGZPJMESA-N 428.826 5.119 30 20 IKED C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C 473861742 CCOWMVQAFPYMOB-XOBRGWDASA-N 437.403 5.287 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 474434711 SOQQSPZODPFHJL-CQSZACIVSA-N 443.981 6.032 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 476613377 SDNMVNFLZRJYHB-UHFFFAOYSA-N 442.890 5.376 30 20 IKED C[C@H](N[C@@H](CC(F)(F)F)c1ccccc1)c1ccc(OC(F)F)cc1OC(F)F 480906153 HLQWMQAAMBKCTM-NHYWBVRUSA-N 425.344 6.234 30 20 IKED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 481040839 UYGSRXOOIDXIET-VGOFRKELSA-N 439.581 5.039 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NC3CCN(c4ccccc4)CC3)cc2F)c1 481712775 NVLTXPHXKOPUCV-UHFFFAOYSA-N 444.510 5.067 30 20 IKED Cn1ccnc1C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 483004749 DWYKLQDGCSNYMF-SFHVURJKSA-N 449.942 5.224 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1cnc2ccccc2n1 483200272 KZZUONSPTXPNSE-KRWDZBQOSA-N 434.377 5.326 30 20 IKED N#C[C@H](C(=O)c1cc(Oc2cccc(Br)c2)ccn1)c1nccc2ccccc12 483209602 KCLLIJCIAUQBRB-FQEVSTJZSA-N 444.288 5.675 30 20 IKED N#Cc1ccc(CN(C(=O)NCc2nc(-c3cc4ccccc4o3)cs2)C2CC2)cc1 483343098 OPWQGOIEPXSBFW-UHFFFAOYSA-N 428.517 5.302 30 20 IKED CCc1c(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cnn1-c1cccc(Cl)c1 485326308 XBHIDBWDMJPMPO-UHFFFAOYSA-N 431.927 5.281 30 20 IKED C=CCSc1ccccc1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 485468380 RNIFELBCNNJTGY-UHFFFAOYSA-N 435.511 5.462 30 20 IKED C=CCSc1ccccc1NC(=O)CNc1ccc(C(=O)N(CC)CC)c(Cl)c1 486458638 KKVDLFAVCPZCDX-UHFFFAOYSA-N 431.989 5.151 30 20 IKED CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccccc1C(C)(C)C#N 489424455 KWQDVVLUEXWXKT-UHFFFAOYSA-N 426.973 5.624 30 20 IKED CCn1c(NC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)nc2cc(C#N)ccc21 490826666 ZADWYHAYVWBRAV-UHFFFAOYSA-N 448.486 5.206 30 20 IKED N#Cc1cc2c(nc1SCC(=O)Nc1cccc(CSc3ccccn3)c1)CCCC2 496596863 ZWMFMXZKUCBICU-UHFFFAOYSA-N 446.601 5.250 30 20 IKED C/C=C/c1ccc(NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 500022462 NAUPNMRZGOKVSB-HWKANZROSA-N 425.488 5.056 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CNc2cc(C#N)ccc2C)cs1 500978639 UYDZHWDSKIDFGW-UHFFFAOYSA-N 430.455 5.639 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)cc1 502647278 BWORLNYFWOKRGL-UHFFFAOYSA-N 432.480 5.439 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CC=C(c5ccc(C#N)cc5)CC4)cc3)o2)cc1 503907455 FODSCAKSYHBTRT-UHFFFAOYSA-N 446.510 5.513 30 20 IKED C=CCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1)c1nc(-c2ccccc2)cs1 505862336 JQCXKABCSVRFEB-QFIPXVFZSA-N 445.588 5.190 30 20 IKED C=CCc1cc(CNC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc(OC)c1OC 506656142 MLLVLGDYSMXZBG-UHFFFAOYSA-N 445.519 5.006 30 20 IKED C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(c2ncc(C)s2)CC1 508911955 CMFCBISXTPSZGE-MRXNPFEDSA-N 444.004 5.406 30 20 IKED CCN(C(=O)Cc1csc(-c2cc(Br)cs2)n1)c1ccc(C#N)cc1 510360899 ZYVXEZHFVNXUIU-UHFFFAOYSA-N 432.368 5.101 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@]4(CCc5ccccc54)C3)cc2)cc1 510895132 QOXHRFQTSBMKJL-SANMLTNESA-N 425.488 5.056 30 20 IKED CCOc1cc(CN2CCC(C#N)CC2)cc(Br)c1OCc1ccccc1 512692209 CGVXCWCXARQTOB-UHFFFAOYSA-N 429.358 5.162 30 20 IKED CN(Cc1cc(Br)cs1)C(=O)c1cccc(COc2ccccc2C#N)c1 513504199 CRZSTGOXGQIPBJ-UHFFFAOYSA-N 441.350 5.233 30 20 IKED N#C[C@H](C(=O)c1sc(-c2ccco2)nc1-c1ccccc1)c1nc2ccccc2s1 513659957 ILMBBYQHFXXVRZ-OAHLLOKOSA-N 427.510 6.170 30 20 IKED N#Cc1c(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)sc2c1CCC2 515321774 AFZFRPCCYUVSSA-HXUWFJFHSA-N 449.963 5.262 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1csc(Br)c1 518656113 DBXVIYAZEOAGOO-LBPRGKRZSA-N 441.441 5.634 30 20 IKED CCCc1c(C(=O)Nc2ccccc2SC[C@H](C)C#N)nnn1-c1cccc(Cl)c1 518816163 WBEPPJNUZCXEDX-OAHLLOKOSA-N 439.972 5.377 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 519106756 QQPFKZXGHKEXCN-SNVBAGLBSA-N 427.860 5.737 30 20 IKED Cc1cccc(Oc2ncccc2NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1C 519184900 OYDGKJOWMQASHM-UHFFFAOYSA-N 442.519 5.438 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc([N+](=O)[O-])c1 520466914 IYLGTJKPOXODAI-HNNXBMFYSA-N 432.288 5.824 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)c2)c1 522389922 OMBAQWLGGKNGLB-NRFANRHFSA-N 436.298 5.439 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(-c4cnc(C5CC5)o4)cc3)o2)cc1 524382941 DMUYMYKARZJYBK-UHFFFAOYSA-N 425.444 5.515 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC1(c2ccc(Br)cc2)CC1 524566099 MKOBOWVCVBAANC-CQSZACIVSA-N 430.371 5.512 30 20 IKED CC(=O)N(c1nc(CSc2ccc(C#N)cc2F)cs1)c1c(C)cc(C)cc1C 524988024 CLBTWJXZXBQVHF-UHFFFAOYSA-N 425.554 6.056 30 20 IKED CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(OCCCC#N)c2)c1 525577742 XUQLFONPGSHEMF-UHFFFAOYSA-N 428.920 5.195 30 20 IKED Cc1cc(Br)c2oc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cc2c1 527101812 RFKJMFRRJHXPIC-CQSZACIVSA-N 438.306 5.512 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)Cc1cccc(C#N)c1 532068514 IXZONKBSTGFNML-ZDUSSCGKSA-N 440.366 5.173 30 20 IKED C[C@@H](C#N)CN(C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F)C1CC1 532812164 WTXMLRFQASVQRN-ZDUSSCGKSA-N 448.420 5.253 30 20 IKED CCN(C(=O)c1cnn(-c2cccc(Br)c2)c1C)c1ccc(C#N)c(Cl)c1 536972555 CKRZTVUQNJJNEN-UHFFFAOYSA-N 443.732 5.135 30 20 IKED Cc1nc(C2CCCCC2)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 540376275 MIZADDOKTXGYSQ-SFHVURJKSA-N 432.574 5.984 30 20 IKED C[C@H](NC(=O)N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 543019003 XCWGRMTUYMMYCN-RFCQMFNXSA-N 445.588 5.426 30 20 IKED O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1cc(F)c(F)cc1Br 543130948 XYCWFPOZCHMKOP-ZDUSSCGKSA-N 430.117 5.039 30 20 IKED C=CCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 551844760 ZOHQYLYEYMDREQ-QZTJIDSGSA-N 439.924 5.694 30 20 IKED Cc1ccc2c(c1)nc(CNC(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1C)n2C 554857445 NGBVNZBAFCGWSM-UHFFFAOYSA-N 425.492 5.176 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@@H](c2ccc(F)cc2)C[C@H]1C 554926023 IBMOZMGQKQEBKV-MHFNLWBJSA-N 432.543 5.231 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC3(C2)Oc2ccccc2O3)cc1Cl 558192593 LAHLUJXGUGFZAD-FQEVSTJZSA-N 445.906 5.401 30 20 IKED N#Cc1cccc(COc2cccc(CNC3(Cc4ccc(F)cc4)CCOCC3)c2)c1 559314555 SOHLPERPALMVGD-UHFFFAOYSA-N 430.523 5.158 30 20 IKED CN1C(=O)CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c2ccccc21 560135297 MQTKNXUWDRNQQH-UHFFFAOYSA-N 431.879 5.017 30 20 IKED CCN(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@@H](c1ccc(Cl)cc1)c1cccnc1 563594100 PVKWUEWYWHWFNV-DEOSSOPVSA-N 442.906 5.513 30 20 IKED C=CCC[C@H](N[C@@H]1CCCc2ccc(S(N)(=O)=O)cc21)c1ccc(C(F)(F)F)cc1 570323461 NPOJWVSQABKJFA-LEWJYISDSA-N 438.515 5.027 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3ccc(Br)cc3Cl)cc2)ccn1 571846761 GWXFTPWFWXQHEU-UHFFFAOYSA-N 428.673 5.414 30 20 IKED COc1ccccc1[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccco1 573847097 AKMSQPFMNBIXKM-XMMPIXPASA-N 440.459 5.258 30 20 IKED Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)N(C)CCOCc1ccc(C#N)cc1 574334229 NTRFHTHWBSDROW-UHFFFAOYSA-N 445.567 5.030 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](n4cc(Cl)cn4)C3)cc2Cl)cc1 580501317 XAQYZWHGRASANW-KRWDZBQOSA-N 442.306 5.333 30 20 IKED N#Cc1c(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)sc2c1CCCC2 600840984 FDTMGOUIDPPBFH-UHFFFAOYSA-N 432.505 5.271 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ccc(NC(=O)C2CC2)cc1 603532278 AFGQDZJYWVSEOJ-UHFFFAOYSA-N 427.479 5.201 30 20 IKED Cc1cccc2sc(N(Cc3ccccc3)C(=O)CSc3cc(C#N)ccn3)nc12 603724892 KPENXOXDJFODRY-UHFFFAOYSA-N 430.558 5.197 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c2)cc1 604691287 WLICFPWPYWKKAJ-HXUWFJFHSA-N 427.460 5.376 30 20 IKED Cc1nc(-c2ccc(CCNC(=O)c3occc3COc3cccc(C#N)c3)cc2)cs1 608803202 YPTYSGVVRDLEKW-UHFFFAOYSA-N 443.528 5.135 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)(C)C 608898782 DIGXLDLIVQHVSP-OAQYLSRUSA-N 434.506 5.269 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)s1 609414974 QLTWIJRGKUWHEG-CQSZACIVSA-N 437.468 5.002 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c2)cc1 609642591 YVLOHASQCPRSET-UHFFFAOYSA-N 446.466 5.449 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)c1 609724386 VCTLZEYEPLBPAR-UHFFFAOYSA-N 431.879 5.531 30 20 IKED COc1cc(CSCC(=O)NCc2cccc(C)c2)ccc1OCc1cccc(C#N)c1 609741182 UJYCXUKHINWJDO-UHFFFAOYSA-N 446.572 5.004 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cccc(Oc2cnccn2)c1 609907139 NCERVJKJNRRSLL-UHFFFAOYSA-N 438.462 5.435 30 20 IKED C[C@H]1C[C@@H](N(C)C(=O)Nc2ccccc2S[C@H](C)CC#N)CCN1Cc1ccccc1 610019273 KEULHLXLVOXLQJ-VWPQPMDRSA-N 436.625 5.598 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)nc2ccccc2c1=O 611636919 GIVIASWRPFZBSY-ZWKOTPCHSA-N 443.572 5.094 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ccc(F)cc2)o1)c1nc2cc(C(F)(F)F)ccc2s1 613404994 ZFHOKVSDBOGKRA-AWEZNQCLSA-N 430.382 6.204 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCc4cc(Br)ccc4C3)cn2)cc1 616760884 ONFRKSHKJVPLQD-UHFFFAOYSA-N 449.308 5.098 30 20 IKED COc1ccc(C2(c3noc([C@H]4CCCN4c4ccc(C#N)cc4)n3)CCCC2)cc1OC 618428238 BJNONZGUKVPQHK-OAQYLSRUSA-N 444.535 5.160 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(Br)c(F)c1 620691914 BNZRINCGSGVVCD-RKDXNWHRSA-N 436.165 5.228 30 20 IKED N#C[C@@H](C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1)c1nnc2n1CCCCC2 642281003 ZGTGBBBKPMPBDN-IBGZPJMESA-N 440.425 5.306 30 20 IKED CC[C@@H](CNC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)Oc1ccccc1F 674029683 QZIDWROBXQFNAW-DGAVXFQQSA-N 444.391 5.192 30 20 IKED O=C(c1cccc(-c2c(F)cccc2F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 677418996 SQUIBNKKHZOLRC-OKILXGFUSA-N 437.330 5.835 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1(c2ccc(F)cc2F)CCC1 679003869 YLTOHMQHIQGJET-QWRGUYRKSA-N 429.351 5.412 30 20 IKED C=CC[C@H](CC)NC(=O)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 684895506 ZSYVPHYXQDFKCP-GMAHTHKFSA-N 426.605 5.239 30 20 IKED Cc1ccc(-c2ccc(CN(C(=S)Nc3ccc(C#N)c(Cl)c3)C(C)C)s2)cc1 726478458 GXZVTCJPRCNEIK-UHFFFAOYSA-N 440.037 6.856 30 20 IKED N#Cc1ccc(N2CCC(NC(=O)Nc3ccccc3SCc3ccccc3)CC2)nc1 727587552 OAQKDZUNDCGFMM-UHFFFAOYSA-N 443.576 5.036 30 20 IKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 728083469 WXSXSDNHIVAGMD-AVRDEDQJSA-N 447.604 5.673 30 20 IKED C#Cc1cccc(N(Cc2ccccc2)C(=O)C2CCN(c3nc4ccccc4o3)CC2)c1 728248099 FGYGLFWYOITQMX-UHFFFAOYSA-N 435.527 5.259 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(SC(C)C)cc2)cs1 728440958 APBSEQMEMGSVKB-NTEUORMPSA-N 436.602 6.533 30 20 IKED C[C@H](C#N)Oc1ccc(/C=C2\CCn3c2nc2scc(-c4ccccc4)c2c3=O)cc1 728700941 YLJGBGLIOPCQFF-CXDFQFJYSA-N 425.513 5.360 30 20 IKED Cc1ccc(C(=O)N[C@@H](CC(=O)[C@@H](C#N)c2ccc3ccccc3n2)c2ccccc2)cc1 729889985 GYDLVAJPKJJFFV-OZXSUGGESA-N 433.511 5.281 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 731333116 WXAKKGKBRJWITB-MRXNPFEDSA-N 425.554 5.358 30 20 IKED Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1C 732377149 BBANVUSRIRBYHZ-LJQANCHMSA-N 428.488 5.346 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(C3SCCCS3)cc2)ccc1OC 733231597 DIDJYDPWUVYLHK-IBGZPJMESA-N 442.606 5.175 30 20 IKED C[C@@H](Oc1ccc(F)cc1Cl)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 733685958 RMGFYVJBQZPWBA-ZYHUDNBSSA-N 436.842 5.525 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)c1 733798237 RVOJKIGXMNNYKV-GJZUVCINSA-N 443.547 5.154 30 20 IKED Cc1nc(-c2ccccc2F)sc1[C@H](C)OC(=O)CCc1c(C)nn(CCC#N)c1C 734734833 CUFBPPCXTBWSDE-KRWDZBQOSA-N 440.544 5.222 30 20 IKED Cc1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1NC(=O)C(C)(C)C 740454039 LMGKZJLTDROTKE-UHFFFAOYSA-N 446.576 5.902 30 20 IKED Cc1csc(SCc2c(C(=O)Nc3ccc(C#N)c(C#N)c3)oc3ccccc23)n1 740685041 YDRNVGJKRYUWJT-UHFFFAOYSA-N 430.514 5.486 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(OCc2cc(Cl)ccc2OCC#N)cc1 742362254 FPGGXSYUPGCVEB-UHFFFAOYSA-N 441.314 5.751 30 20 IKED C=CCOc1cccc(NC(=O)c2cc(Cl)c(NC(=O)OC(C)(C)C)cc2OC)c1 742578357 GOVVMMVYQBMPJQ-UHFFFAOYSA-N 432.904 5.513 30 20 IKED C=CCc1cc(C(=O)Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cc(OC)c1OC 742886604 VKBHVUOIVKUTPX-INIZCTEOSA-N 440.540 5.270 30 20 IKED CCN(CC(=O)[C@@H](C#N)c1nc2ccccc2s1)[C@@H](C)c1cccc(C(F)(F)F)c1 746143774 HPHMBMQYLBJAHE-WMLDXEAASA-N 431.483 5.574 30 20 IKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 748158011 YFGSFSPCKNVMDJ-UHFFFAOYSA-N 432.505 5.432 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2(c3ccc(Br)cc3)CC2)cc1 749015145 MEEQHFHDGIZEDY-QFIPXVFZSA-N 446.348 5.915 30 20 IKED N#CCCN(Cn1nc(-c2ccccc2Cl)n(C2CCCC2)c1=S)CC(F)(F)F 749961838 UGOOXVJLWUWYMI-UHFFFAOYSA-N 443.926 5.585 30 20 IKED COc1cc(C#N)cc(Cl)c1OC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 751059516 JRMIGZVCMNZGCC-UHFFFAOYSA-N 438.814 5.582 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NOc2ccccc2C(F)(F)F)cs1 754712874 WIKBNLAALIDSHR-UHFFFAOYSA-N 439.846 5.913 30 20 IKED COc1ccc(C2(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)CCC2)cc1OC 755611171 QFJCELKQBFXUET-HNNXBMFYSA-N 426.925 5.265 30 20 IKED C#CC[C@H](NC(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1)c1ccccc1 757772441 PBPQMVZYZZELMX-SANMLTNESA-N 428.532 5.180 30 20 IKED N#C[C@@H](C(=O)/C=C/c1ccc2ccc(Cl)cc2n1)C(=O)Nc1cc(Cl)cc(Cl)c1 759209210 ORFUNYWPFZIUNH-QWNKOJSDSA-N 444.705 5.556 30 20 IKED C[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1ccc(Cl)c2ccccc12 765066359 FOJZIXDRUQGMBL-FOIQADDNSA-N 426.907 5.381 30 20 IKED CC(C)(C#N)c1ccccc1COC(=O)c1ccccc1Cc1nc(O)c2ccccc2n1 767987554 JKGOKBICGXMKKD-UHFFFAOYSA-N 437.499 5.084 30 20 IKED COc1ccc(-c2noc([C@H](C)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)n2)cc1 768500981 XZLVCTWQNBBRML-INIZCTEOSA-N 444.466 5.508 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cccn1[C@H](C)Cc1ccccc1 773772076 UZXROIXSTBPCJU-XXBNENTESA-N 427.548 5.378 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)cc1C#N 775691482 VVABGQYGQJVQPY-LJQANCHMSA-N 433.468 5.027 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 778292946 AQVNXFLSKQPRLT-MLGOLLRUSA-N 432.471 5.166 30 20 IKED N#C[C@@H](C(=O)C1(c2ccc(F)cc2F)CCOCC1)c1nc2cc(Cl)ccc2s1 779195239 VFUFLYCHTLQDKZ-AWEZNQCLSA-N 432.879 5.153 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cc(Br)ccc1Br 780471963 MGZQVDLKLHDHHQ-JTQLQIEISA-N 439.107 5.146 30 20 IKED N#CC1(COC(=O)c2ccccc2SCc2ccc(Br)cc2)CCOCC1 780540881 QRMCBALPIFFHEU-UHFFFAOYSA-N 446.366 5.219 30 20 IKED C[C@@H](C#N)Oc1ccccc1N[C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 780743471 BNIQFEIUCCRSQH-OLZOCXBDSA-N 425.838 5.479 30 20 IKED COc1cc(Br)ccc1CCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 782581886 YQNJVVJHSNTKGQ-KRWDZBQOSA-N 441.350 5.390 30 20 IKED CC(=O)N(c1nc(/C=C2/COc3c(F)ccc(F)c3C2=O)cs1)c1ccc(F)cc1F 783711571 FOZDTDSROYVEJS-WDZFZDKYSA-N 448.397 5.043 30 20 IKED N#C[C@@H](C(=O)Cc1cccc(OCc2ccccc2Cl)c1)c1cnc2ccccc2n1 792102320 DXHIPPUZTLWCOS-HXUWFJFHSA-N 427.891 5.281 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 793461783 QQOKLMLOFZVCMN-HNNXBMFYSA-N 425.554 5.846 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F 797450197 VETIKYFSRVCZQN-HNNXBMFYSA-N 446.569 5.189 30 20 IKED C=CC[C@@H](OC(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)c(Cl)c1 797554142 QCZSQLXCFAPKRT-ORAYPTAESA-N 427.349 5.361 30 20 IKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2cccc(C)c2)N=C1C 798149087 NPMLYRCPIROSNR-UHFFFAOYSA-O 434.585 5.217 30 20 IKED CCc1cc(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)c2c(CC(C)(C)C)noc2n1 799971414 FTRCLCRKHVAEKN-UHFFFAOYSA-N 441.875 5.059 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](F)c3ccc(C(F)(F)F)cc3)n2)cc1 802053496 STKKEWNBQHTSDR-SJLPKXTDSA-N 429.398 5.588 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1 806263496 NVEFTKJTUWZSRD-YKSBVNFPSA-N 445.588 5.706 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC[C@@H](O)c3ccc(C(F)(F)F)cc3)cc2)cc1 807798859 SFBKUENCHKNKRQ-JOCHJYFZSA-N 440.421 5.027 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/Oc3c(C)cc(Cl)cc3C2=O)cs1 811698603 SQXRXFRPUHUQLO-GIJQJNRQSA-N 428.872 5.545 30 20 IKED Cn1cc(/C=C2/CCc3c(Br)cc(Br)cc3C2=O)c(C(F)F)n1 812241439 DZMIKOHDWUKZSF-YWEYNIOJSA-N 446.089 5.095 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)c3cccc(Br)c3)n2)cc1 813063638 AMTDERAKNPWLCI-ACJLOTCBSA-N 441.350 5.561 30 20 IKED CC(=NNc1cc(C#N)cc(Cl)n1)c1sc(-c2ccc(Br)cc2)nc1C 814891244 QNIOWBOIBPAJCK-UHFFFAOYSA-N 446.761 5.637 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CCC[C@@H](c3nc4ccccc4s3)C2)c1=S 915833608 BHSJLVDJGQAETG-GOSISDBHSA-N 448.621 5.109 30 20 IKED FC(F)(F)c1ccc(Cl)c(NC(=S)NN=Cc2csc(-c3ccccn3)n2)c1 915943989 LQCGHDVFKXLBLR-UHFFFAOYSA-N 441.891 5.198 30 20 IKED CC(=O)N(c1nc(C=NNc2ccc(Cl)cc2Cl)cs1)c1ccc(F)cc1F 916338976 YAEAJLMPJIFYEX-UHFFFAOYSA-N 441.290 5.859 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 916912765 KADOHSCOOBGHGI-OAQYLSRUSA-N 443.503 5.144 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(s2)-c2ccccc2CC3)cc1Cl 916940618 YKVFYLKZOQGBNA-QGZVFWFLSA-N 436.920 5.137 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(OCc3cccs3)c2)cc1 916949473 OQJNIAJKDQSTKH-GAJHUEQPSA-N 432.545 5.802 30 20 IKED N#C[C@@H](C(=O)c1cnc(S)n1-c1ccc(F)cc1)c1nc2cc(Cl)ccc2s1 917046994 OCNZTMHIOGEUTK-ZDUSSCGKSA-N 428.901 5.053 30 20 IKED CC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc2c(c1)OCCO2 918034284 MOTALSHELWGSLP-PKTZIBPZSA-N 427.504 5.386 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc2ccccc2n1Cc1ccccc1F 920102390 SGGWKXLYLMOTSA-OAQYLSRUSA-N 449.485 5.824 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)C(=O)Nc1ccccc1Cl 920109563 QYVYCQWSOJUPRH-NSHDSACASA-N 436.345 5.068 30 20 IKED Cc1ccc(C)c2c(C)c(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)oc12 920109844 UULPHIWSDMDXQC-FQEVSTJZSA-N 438.483 6.112 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCSc3ccc(Cl)cc3)n2)cc1 920140264 DIKPNEZBMJRHRN-IBGZPJMESA-N 437.977 6.084 30 20 IKED Cc1c(C(=O)/C=C/c2cc3cnn(C(C)C)c3nc2Cl)nnn1-c1cccc(Cl)c1 920388808 ICEQTXRCJGIQIH-BQYQJAHWSA-N 441.322 5.104 30 20 IKED N#C[C@@H](COC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)Cc1ccc(F)cc1 920876887 RIRIKSWQBYIZNJ-NBGIEHNGSA-N 427.479 5.059 30 20 IKED COc1cc(C#N)cc(Cl)c1OC(=O)CCOc1ccc(Cl)cc1Br 921276347 UXKOZEZZDBTHDV-UHFFFAOYSA-N 445.096 5.011 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5ccoc5s4)cc3)CCC2)c1 1788415764 REKFMLXSDDLMSR-UHFFFAOYSA-N 441.512 5.427 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCc3ncccc3OC)CCC2)cc1 1789624317 WLDCJBIEEJZNHM-UHFFFAOYSA-N 449.595 5.149 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(F)F)cc4F)cc3)CCC2)C1 1790062287 QJYCACAUVVCZQO-UHFFFAOYSA-N 444.453 5.141 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccc(Cl)cc4nn3)CCC2)cc1 1791247660 DTWLTYVJSRNLDR-MRXNPFEDSA-N 448.954 5.243 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)C[C@H](C)c3ccccc3)cc2)CCC1 1791336604 VGWCIGOBTZROEP-NRFANRHFSA-N 434.580 5.297 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/Sc1ccc(C)cc1)C2 1792574156 ZTNQXBMAYONVSO-XJUNKJNUSA-N 426.626 5.231 30 20 IKED C=CCC(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(CCCCC)cc2)[C@H]1c1cccnc1 1802996167 XRZNYZMDHCLSQE-VDSHTBCZSA-N 445.607 5.110 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C(C)(C)C)s3)n[nH]2)C1 1818341041 FIIMYESVPJYJAG-KRWDZBQOSA-N 426.586 5.041 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3c(Cl)cccc23)n[nH]1 1821542255 ZPLFBHXMWJBKAD-LIRRHRJNSA-N 439.947 5.063 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)n[nH]1 1822327665 PXVJCAKVEFZAGO-TUNNFDKTSA-N 434.584 5.198 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 1831474915 IFRXFYWOMKABRQ-AKAGGGOCSA-N 426.645 5.201 30 20 IKED COc1cccc(/C=C2\C[C@H](C)Cc3c2nc2ccccc2c3C(=O)OCC#N)c1OC 8952658 WHEOOZBMIZZEKV-XIGQLOAZSA-N 428.488 5.055 30 20 IKED C=C(C)CSC1=N/C(=C\c2ccc(N(C)C)cc2)C(=O)N1c1ccc(OC(F)F)cc1 9636582 AHRMRKFAJBZVBV-MOSHPQCFSA-N 443.519 5.407 30 20 IKED C[C@@H](OC(=O)c1ccc(C2SCCCS2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 18527662 SEGZLOIMMIHPGR-CYBMUJFWSA-N 446.981 5.264 30 20 IKED C[C@@H](OC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 22932296 JYASLGIMRJLPEO-SECBINFHSA-N 448.928 5.300 30 20 IKED Cc1ccc(SCCC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1C 24049608 FVPUQOUCAZWDEI-UHFFFAOYSA-N 440.619 5.440 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1ccco1 29547803 RJFZRQGLXUDDBY-UHFFFAOYSA-N 430.533 5.046 30 20 IKED C=CCc1cc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc(OC)c1OC 36795191 PJZZPHDPUJUGFO-UHFFFAOYSA-N 430.529 5.961 30 20 IKED COc1ccc(Br)c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1 46667872 ALHUGNUFAVFBHJ-UHFFFAOYSA-N 438.281 5.077 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)n1 97261769 IYFXRTUHXVHDOK-INIZCTEOSA-N 426.954 5.363 30 20 IKED CCCn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nnc1-c1cccc(C)c1 104642417 ZAOSPDMIVXLQJG-UHFFFAOYSA-N 443.576 5.507 30 20 IKED N#CCCCOc1cccc(NC(=O)COc2ccc(C3SCCCS3)cc2)c1 108297458 JQDAHWUSWGYMHI-UHFFFAOYSA-N 428.579 5.255 30 20 IKED N#Cc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)cc1Cl 115076261 LSHIWMOCRXPAMC-UHFFFAOYSA-N 439.899 5.334 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 219061828 OECQUHRLXXUDII-UHFFFAOYSA-N 429.549 5.262 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)N(CCc1ccccc1)c1nc2ccccc2s1 302924785 AQZBAJVTSNIWEM-GOSISDBHSA-N 427.529 5.211 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 303700175 RKXRXZGVKYNODL-UHFFFAOYSA-N 442.359 5.094 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 430589198 HFTCLCGDUVWDKZ-HNNXBMFYSA-N 441.553 5.692 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)s1 430616461 FNKPQLCFJDCHQF-HNNXBMFYSA-N 433.512 5.046 30 20 IKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)c12 430617138 KFNUCHBSJXNHAR-MRXNPFEDSA-N 434.496 5.581 30 20 IKED N#Cc1ccsc1N1CC[C@H](Nc2ccccc2Oc2ncc(Cl)cc2Cl)C1=O 433708909 LGLMZRZJLJKMIT-INIZCTEOSA-N 445.331 5.331 30 20 IKED C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(Cc2cn(CCC#N)nc2-c2ccncc2)C1 435135158 MQPUPBMFQWJIOS-VGOFRKELSA-N 439.485 5.461 30 20 IKED N#Cc1cccc(C2(C(=O)Nc3ccc(Oc4ccc(C(F)(F)F)cn4)c(F)c3)CC2)c1 435367500 WXHIPIKICBPDAZ-UHFFFAOYSA-N 441.384 5.574 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CCCOCc1ccccc1 439501803 UDJJXQYVKPIKKX-UHFFFAOYSA-N 443.547 5.516 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)Nc1ccc(CCCc2ccccc2)cc1 439555292 AGFHRXMSHBOFOX-UHFFFAOYSA-N 443.572 5.445 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)Nc1ccc(COC2CCCC2)cc1 440991804 ZEUBZDZMTVCHIG-KRWDZBQOSA-N 437.565 5.117 30 20 IKED Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 441772079 BWYBTVOAYUSGKA-GOEBONIOSA-N 444.626 5.127 30 20 IKED N#Cc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)cc1C(F)(F)F 441833039 LJDYYNFXKMAYCF-LJQANCHMSA-N 449.860 5.217 30 20 IKED Cc1c(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cnn1CCC(C)C 442209369 OSJIZDLECQXFMH-UHFFFAOYSA-N 431.540 5.527 30 20 IKED C=CCC[C@@H](NC(=O)N[C@H](CC)c1nnc2n1CCCCC2)c1ccc(C(F)(F)F)cc1 442250434 NGGHBBDOZMLXSG-RTBURBONSA-N 449.521 5.481 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N1CCCCC[C@H]1/C=C\c1cccs1 442434655 FTOITFOGFQTQMZ-SQVRQVGWSA-N 439.606 5.177 30 20 IKED CC(C)n1c([C@@H]2CCCN2c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)nc2ccccc21 443504951 ZLKNXFMEANQPCZ-QFIPXVFZSA-N 426.480 5.287 30 20 IKED CC(C)N(C[C@H](O)COc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 445238079 KCRUHZDRAPBLIH-QFIPXVFZSA-N 445.519 5.033 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1Cc2ccccc2C[C@H]1c1ccccc1 448378544 ZOGNTHKDOADCLJ-DVECYGJZSA-N 427.573 6.270 30 20 IKED C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](c2nncn2C2CC2)C1 460774383 NEESRSAFMPUQEU-FQEVSTJZSA-N 445.615 5.129 30 20 IKED CC(C)c1c(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cnn1-c1ccccc1Cl 464458045 DOKYRRPTDAEPOY-AWEZNQCLSA-N 432.833 5.553 30 20 IKED Cc1cccc2c(CCNC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c[nH]c12 466006990 IYKWZXVUZPMSQP-UHFFFAOYSA-N 440.522 5.442 30 20 IKED CC(C)(CNC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1c(F)cccc1Cl 466211939 SPYIVHAADJBKHV-UHFFFAOYSA-N 434.783 5.283 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)cc1Cl 468109507 KTWVDKLIUCDWNS-RUGGUXRKSA-N 434.845 5.290 30 20 IKED C=CCN(C(=O)c1cc2c(C(F)F)nn(C)c2s1)c1nc(-c2ccccc2)cs1 470731919 ICMSRTAQIAXSDJ-UHFFFAOYSA-N 430.505 5.529 30 20 IKED Cc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 471822325 AHMMMSDUTIBQGG-UHFFFAOYSA-N 430.455 5.458 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 474278392 WTLMTRGZOPTQGV-SJCJKPOMSA-N 430.348 5.154 30 20 IKED CC(C)N1CC[C@H](NC(=O)C[C@H](CC#N)c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 476604759 XUJIIROFPLLKJS-OEOAZWSVSA-N 427.951 5.207 30 20 IKED C=C(C)[C@H](NC(=O)Nc1cc(C(=O)NCC(F)(F)F)ccc1C)c1ccc(F)c(F)c1 480339822 VJMNNAQQALQJPM-SFHVURJKSA-N 441.400 5.004 30 20 IKED C[C@@H](CC#N)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 484794998 FUSRQXXRDICAQA-UKJPIOLTSA-N 426.476 5.052 30 20 IKED CC[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1cc(F)cc(Br)c1 487045732 PFVROSSSUJCFTH-FQEVSTJZSA-N 430.321 5.285 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(F)cc3C(F)(F)F)c2)cc1 487476519 XJCYVJZMSTYPMN-UHFFFAOYSA-N 428.385 5.742 30 20 IKED N#Cc1cc(NC(=O)NC23CCC(C(F)(F)F)(CC2)CC3)ccc1OCC(F)(F)F 487878358 PKXSWKGMSNGSBJ-UHFFFAOYSA-N 435.368 5.276 30 20 IKED CC(C)CNC(=O)c1ccc(NC(=O)Nc2cccc(OCCCC#N)c2)cc1Cl 502596761 PMRLTFFDSNDTGK-UHFFFAOYSA-N 428.920 5.052 30 20 IKED C[C@H](c1ccccc1)N(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1ccccc1 502766339 PZBNWPKQRJYQTR-HXUWFJFHSA-N 432.545 5.172 30 20 IKED Cc1ccc(OCc2nc(CC(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)cs2)cc1 505947394 HMBALFIHUHJDLE-IBGZPJMESA-N 446.359 5.261 30 20 IKED Cc1ccc(C(=O)Nc2cccc(CNC(=O)Nc3cc(C#N)ccc3OC(C)C)c2)cc1 505948191 NPAGZPGBTJYLGZ-UHFFFAOYSA-N 442.519 5.228 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1 508131861 LLDKOWSSQQTTPZ-UHFFFAOYSA-N 428.488 5.216 30 20 IKED CC(=O)Nc1ccc(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 509589280 VGUYALIVLNAHFA-QHCPKHFHSA-N 446.938 5.318 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1NC(=O)c1ccccc1F 513205756 FMIHLWLNRYNADD-KRWDZBQOSA-N 441.384 5.290 30 20 IKED Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c2cnn(Cc3cccs3)c2n1 514534852 JMAREFVJRGPBMW-UHFFFAOYSA-N 443.576 5.020 30 20 IKED CCOC(=O)c1ccc(C#N)c(S[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)n1 514968610 OXPHYIJJRYOVTB-INIZCTEOSA-N 447.516 5.042 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@@H](C)c2ccc(F)c3ccccc23)n(Cc2ccco2)c1C 517199550 ZEQHQYKXIZOGNX-KRWDZBQOSA-N 444.510 5.200 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1 517338846 QNJZTGAGOVOBQF-XMMPIXPASA-N 434.536 5.206 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)cc1 517669560 CDNIPWLSLAUXDD-UHFFFAOYSA-N 429.495 5.401 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 518751924 ACUZSAFJILMHMM-KSSFIOAISA-N 431.508 5.881 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)ccc2N2CCOCC2)cc1Cl 519351028 YVKDYUJDVYWKTN-QFIPXVFZSA-N 449.913 5.223 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1OC 522320766 KOKTXORVJFHHOE-DEOSSOPVSA-N 442.515 5.132 30 20 IKED CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1 522522328 SXIOROJVCOVKLP-WJOKGBTCSA-N 436.533 5.030 30 20 IKED C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 523015178 BCCVTBGQJFWORZ-LJQANCHMSA-N 447.966 6.080 30 20 IKED C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cc(F)c(Cl)cc1Cl 524565434 TWBLXZNGFXAXES-NEPJUHHUSA-N 426.344 6.267 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1[nH]c2ccc(Br)cc2c1Cl 530405476 HKXDKKWMVXTQAT-UHFFFAOYSA-N 431.761 6.688 30 20 IKED C[C@H](Cc1nc2ccccc2s1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 532226189 DGZZFCNCIQZAPO-QGZVFWFLSA-N 443.597 5.821 30 20 IKED C=CCN(C(=O)c1cccc(-c2ccoc2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 535479066 GJNAGZVBEBDCIO-UHFFFAOYSA-N 431.473 5.811 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)n1 539681041 VIUCOWYQBWDLHX-HNNXBMFYSA-N 435.578 5.811 30 20 IKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 541100015 FDVGOZHCUDNIHI-CYBMUJFWSA-N 436.928 5.232 30 20 IKED Cc1ccc(-c2nc(CC(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)cs2)cc1 541110585 TUSRTBBBBPAJFT-UHFFFAOYSA-N 433.924 5.011 30 20 IKED N#Cc1ccc(SCc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1C(F)(F)F 542005324 JHBZGICEWHTQDM-UHFFFAOYSA-N 438.431 5.112 30 20 IKED C[C@H](NC(=O)N(Cc1ccco1)Cc1ccco1)c1ccc(-c2cccc(C#N)c2)cc1 542084079 CRNNRMLQZCHJPE-IBGZPJMESA-N 425.488 5.884 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)n2)c(F)c1 542961924 NTGUAMHKZXDCIE-UHFFFAOYSA-N 443.404 5.098 30 20 IKED N#C[C@H](NC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1)c1ccc(Cl)c(Cl)c1 544225519 VPMBSCMKDHDLSG-UZLBHIALSA-N 431.367 5.181 30 20 IKED COc1ccc(Cc2noc(/C=C\c3cn(CCC#N)c4ccccc34)n2)c(Cl)c1OC 544425565 SEAGVXLMSGPGJB-LUAWRHEFSA-N 448.910 5.370 30 20 IKED COc1ccc(C2(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CCOCC2)cc1 547409073 KRHYRGZNJXOMKZ-UHFFFAOYSA-N 428.488 5.046 30 20 IKED Cc1noc([C@H]2CCCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1 554169476 SROZKIWMEUJISM-LJQANCHMSA-N 437.887 5.455 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C 554926025 IBMOZMGQKQEBKV-OPEMAFOOSA-N 432.543 5.231 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)cc2)ccn1 555078895 BJZCMTRCRAKHGA-UHFFFAOYSA-N 443.444 5.030 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1)[C@H]1C[C@H]1C 572635005 DKXMRRHXZMCEMI-HXOBKFHXSA-N 425.488 5.364 30 20 IKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)c12 587988738 MOOOANBZSHTTHA-INIZCTEOSA-N 440.356 5.241 30 20 IKED CC[C@H](C)c1ccccc1OCC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 590613316 KCORPUIXLUWMSA-HNNXBMFYSA-N 438.578 5.233 30 20 IKED CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N(Cc1ccccc1)c1ccccc1C#N 603532602 FVVRLIIRWVBSLE-DEOSSOPVSA-N 445.950 5.199 30 20 IKED N#Cc1c(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)sc2c1CCCCCC2 603996052 DRAIRKQNYGJBJN-UHFFFAOYSA-N 442.541 5.199 30 20 IKED CC(C)n1ncc2cc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cnc21 608785060 IYOUPOHBIVRQJX-UHFFFAOYSA-N 442.498 5.257 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@@H](c3ccccc3)CC2)cc1C 608967309 CIYCSYUWRHDZGW-HSZRJFAPSA-N 426.564 5.491 30 20 IKED N#C[C@@H](NC(=O)c1ccc(Oc2cccnc2)cc1)c1ccc(OCc2ccccc2)cc1 609028595 HVMFACQYKGTPQG-AREMUKBSSA-N 435.483 5.448 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)c1c(Cl)cccc1Cl 609068738 UMPPGYWUMGDPJG-UHFFFAOYSA-N 447.343 5.553 30 20 IKED CN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(Oc2ccccc2)cc1 609091276 AHAWXWOFXHBRCA-UHFFFAOYSA-N 427.504 5.169 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@@H](Cc4ccccc4)C3)s2)cc1 609281629 JLUANTUXLNOCOW-FQEVSTJZSA-N 449.605 5.189 30 20 IKED Cc1ccc(NC(=O)[C@@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(Cl)c1 609387227 UDUKBBNYJJPRCJ-CYBMUJFWSA-N 441.906 6.112 30 20 IKED Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 610035155 NJIICCMCTRPOTC-UHFFFAOYSA-N 443.894 5.210 30 20 IKED Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1NC(=O)Nc1ccccc1 610151555 CHPSAYCCOPSGNB-UHFFFAOYSA-N 426.520 5.562 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2cnn(Cc3ccccn3)c2)cc1Cl 610320900 BZJWAXGWZNURAM-JOCHJYFZSA-N 442.910 5.279 30 20 IKED C[C@H](NC(=O)N1CCC2(CC1)OCc1ccccc12)c1ccc(-c2cccc(C#N)c2)cc1 611856273 QUPJHTIYZJQGFC-FQEVSTJZSA-N 437.543 5.517 30 20 IKED CC(=O)c1ccc(CC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 611865272 YUXQZZGIBOIOLL-UHFFFAOYSA-N 443.450 5.008 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1 613403009 AGKZFMIHUFXOAV-HXUWFJFHSA-N 442.425 5.372 30 20 IKED Cc1oc(-c2ccccc2)nc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613404470 RUYPKNNYEGMGAH-CQSZACIVSA-N 427.407 5.769 30 20 IKED FC(F)(F)c1ccc(-c2noc(CN3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)n2)cc1 618449352 FROUZEWWBDJBTC-VXGBXAGGSA-N 447.301 5.318 30 20 IKED C[C@H]1CCCN(c2cc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)ccn2)C1 643677989 FFTDJGRKOXKXMG-XJKSGUPXSA-N 444.482 5.436 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(Cc3ccc(F)cc3)n2)cc1 727038167 HANWOMGGESXWSU-FQEVSTJZSA-N 435.524 5.177 30 20 IKED Cc1sc2nc([C@H](C)OC(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)nc(O)c2c1C 728373529 SVVGNYOLEUTXNC-HNNXBMFYSA-N 446.532 5.211 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)cc1 729317570 ZNWJOHLUUNODIZ-SANMLTNESA-N 447.494 5.486 30 20 IKED Cn1c([C@@H](C#N)C(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)nc2ccccc21 730070713 CFMLRLITTNGZSJ-NRFANRHFSA-N 429.907 5.225 30 20 IKED N#Cc1ccc(CSCC(=O)O[C@H](c2ccc(Br)cc2)C(F)(F)F)cc1 731146545 HYRJQYYUENUCGN-QGZVFWFLSA-N 444.272 5.401 30 20 IKED CCOC(=O)N(C)c1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 731979501 SWUOFPGIUYNOEP-UHFFFAOYSA-N 429.476 5.390 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2ccccc2N(C)c2ccccc2)ccc1OC 733230722 SDAQIKQKADVKSZ-OAQYLSRUSA-N 429.520 5.074 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(C3SCCCS3)cc2)ccc1OC 733231598 DIDJYDPWUVYLHK-LJQANCHMSA-N 442.606 5.175 30 20 IKED C#CCOc1ccc(NC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cc1 733633609 JODLTRVASGPITH-UHFFFAOYSA-N 440.330 5.635 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)ccc1OC 733639865 HZALHIJDBKZMED-ZEQRLZLVSA-N 443.547 5.159 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)c1 733843209 DCRVUULPNFGDRD-SFHVURJKSA-N 427.932 5.664 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 739550721 KSWQJDPTCANVRL-FYYLOGMGSA-N 449.551 5.078 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cccc(-c3ccncc3)c2)cs1 741469014 IVSKKKNFFYGMAG-JXMROGBWSA-N 443.503 5.925 30 20 IKED O=C(/C=C\c1csc(COc2ccc(Cl)cc2)n1)c1cccc(-c2ccncc2)c1 741474184 VOUAFFCDEWEUIY-TWGQIWQCSA-N 432.932 6.334 30 20 IKED COCCN(C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)c1ccc(C#N)cc1 741737874 AMOQBWKCPFXMGJ-UHFFFAOYSA-N 425.463 5.206 30 20 IKED C[C@@H](Sc1nnc(CCc2ccccc2)o1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 742460933 IZMOBCCBALIXEW-VULIGXMUSA-N 433.577 5.216 30 20 IKED Cc1ccc(C)c(SCc2cccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)c2)c1 744029859 XKGDXZDJRRTGAR-HXUWFJFHSA-N 448.975 6.210 30 20 IKED CCc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)o2)cc1 745597497 OMDHKFQAJRXOAD-QGZVFWFLSA-N 448.544 5.699 30 20 IKED CCN(C[C@H](O)c1ccc(C)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 748944414 XZDHUDKCSIYWID-VWLOTQADSA-N 429.520 5.555 30 20 IKED Cc1noc([C@H](C)ON=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)n1 750871554 XDECBPLJRGDZCL-IBGZPJMESA-N 443.503 5.648 30 20 IKED O=C1/C(=C\c2csc([N+](=O)[O-])c2)CC2(CCOCC2)C/C1=C/c1csc([N+](=O)[O-])c1 751516554 DDIGQBVLZBKVFK-KNBRTIFXSA-N 446.506 5.253 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cc(Br)c(F)cc2Cl)c1 751556702 LBVKTUZAXBQWRP-LBPRGKRZSA-N 440.700 5.244 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@H]2c2ccc(C(C)C)cc2)ccc1OC 759434496 BIOIXMPXQHQRIX-GOTSBHOMSA-N 435.568 5.546 30 20 IKED N#C[C@@H](C(=O)CCc1nnc(C2CCCC2)o1)c1nc2cc(C(F)(F)F)ccc2s1 761047743 KCRYXQDTPHRHTA-ZDUSSCGKSA-N 434.443 5.165 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 761665186 MOGUEXQZEPRUBO-LJQANCHMSA-N 432.293 5.153 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)Nc3ccc(-c4nc5ccccc5s4)cc3)CCO2)c1 761821917 YLZISAZUGIFYRK-JOCHJYFZSA-N 440.528 5.440 30 20 IKED CCN(C(=O)C[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H](C)c1ccc(C#N)cc1 763296903 FBRKUXUVLXNKOM-JQVVWYNYSA-N 427.589 5.141 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN(C)Cc2ccc(OC(F)(F)F)cc2)c1=S 764879177 OPOJAJLZSGCRIW-UHFFFAOYSA-N 449.502 5.040 30 20 IKED C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCC[C@H]2c2cccc(C)n2)c1=S 765106429 PIWYLNPEMLNCNX-FQEVSTJZSA-N 425.989 5.419 30 20 IKED N#Cc1ccc(NCc2nnc(-c3ccc(Br)s3)o2)cc1C(F)(F)F 768499735 SGCDQGILAGGSRG-UHFFFAOYSA-N 429.221 5.063 30 20 IKED Cc1cc(C)cc([C@@H]2NC(=O)N(c3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2=O)c1 771814968 CBWZMYBVGJNVOK-GGAORHGYSA-N 429.907 5.410 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1NC(=O)OC(C)(C)C 772544959 DOKKEVGMWWCFSX-SFHVURJKSA-N 431.492 5.337 30 20 IKED Cc1nn(CC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1-c1ccccc1 774056868 VKUUWDNLGZFKBH-INIZCTEOSA-N 440.450 5.364 30 20 IKED O=C1[C@H](/N=C/c2c(O)ccc3ccccc23)CCCN1Cc1cccc(C(F)(F)F)c1 776726170 VHDCQJDIVBQQBN-VOZXZEHESA-N 426.438 5.174 30 20 IKED O=C(Nc1ccccc1[C@@H](O)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 777832900 LFUIGZLJUPCMNY-CYBMUJFWSA-N 431.254 5.572 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(Cl)cc(C(F)(F)F)c1 778606696 OEHALLQDLVIKDX-LBPRGKRZSA-N 435.616 5.627 30 20 IKED N#C[C@H](C(=O)NC1CCCC1)C(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1 779194202 JJRXEWHJALEVCU-QHCPKHFHSA-N 441.487 5.047 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1 780310384 ZNBKAXFPZBSPMY-JOCHJYFZSA-N 439.446 5.011 30 20 IKED CSCc1nc2ccccc2n1CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 780314279 GEQRJRIJMORIHJ-CYBMUJFWSA-N 426.954 5.039 30 20 IKED N#C[C@H](C(=O)COc1ccc(Oc2ccccc2)cc1)c1nc(-c2ccncc2)cs1 780328203 OOANBBMBVXHFSX-OAQYLSRUSA-N 427.485 5.253 30 20 IKED Cc1nc2c(s1)[C@H](NC(=O)Nc1ccc(OCc3cccc(C#N)c3)c(F)c1)CCC2 780549369 AOZPNYPSQZJVFA-HXUWFJFHSA-N 436.512 5.240 30 20 IKED COc1cccc(Cn2ccc3ccc(NC(=O)Nc4ccccc4O[C@@H](C)C#N)cc32)c1 780614582 DBQDRXVBJAEDQK-SFHVURJKSA-N 440.503 5.633 30 20 IKED CC[C@@H](NC(=O)[C@H](C#N)C(=O)c1sc(-c2ccccc2)nc1C(F)F)c1ccccc1 787034778 BLGXHIDOLXQJHA-IAGOWNOFSA-N 439.487 5.338 30 20 IKED CCC(CC)n1nc(C(=O)[C@@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1C 787046881 UNDVFMHUCOCAIW-CXAGYDPISA-N 435.355 5.059 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc23)cc1 797540579 LZJKSOPVPDUJDO-OYUWMTPXSA-N 445.522 5.106 30 20 IKED Cc1nc(-c2ccc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cs1 799602029 FAQRQNJUZKXKCP-KRWDZBQOSA-N 430.316 5.387 30 20 IKED O=C(COC(=O)c1c(F)cc(C(F)(F)F)cc1F)Nc1ccc(SC(F)F)cc1 811419058 XGCZQHYNIQQYKY-UHFFFAOYSA-N 441.324 5.094 30 20 IKED CCCOc1nc2ccccc2cc1/C=C/C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813211070 CRFGSDOOZCNZOR-DVBCCOPCSA-N 425.410 5.327 30 20 IKED CN(C)c1ccc(C2(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2)cc1 815044480 DSCDVQJZMACNCK-UHFFFAOYSA-N 425.532 5.068 30 20 IKED Cc1nc([C@H](C)OC(=O)c2cnc(C(F)(F)F)c(C#N)c2)oc1-c1ccc(Cl)cc1 815476394 WTLPVNXHYHMCLN-NSHDSACASA-N 435.789 5.507 30 20 IKED CCc1nc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2nc1CC 916943457 XEZXUNKRHROAAF-MRXNPFEDSA-N 441.318 5.023 30 20 IKED C[C@H](Oc1ccccc1F)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995158 BGAOXUWDCJMLAB-SMDDNHRTSA-N 435.307 5.900 30 20 IKED N#C[C@@H](C(=O)[C@H]1Cc2ccccc2S1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995192 CDMNGDWGDMWLFC-KBXCAEBGSA-N 431.369 6.010 30 20 IKED N#C[C@H](C(=O)/C=C/c1ccc2c(c1)OCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996126 KTQFTYDJYHADOU-MELKHLPOSA-N 443.311 5.735 30 20 IKED N#C[C@H](C(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1nc2cc(C(F)(F)F)ccc2s1 917044354 SHVNGPJXIFCBNY-OAHLLOKOSA-N 448.426 5.292 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)COc2ccc(Cl)cc2C2CCCCC2)n1 920328530 SMDUTVIPNUCXPK-KRWDZBQOSA-N 446.956 5.276 30 20 IKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cccc5c4oc4ccccc45)CCC3)cc2)CC1 1787880293 YDJVFOVAOQGSFS-UHFFFAOYSA-N 449.510 5.637 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccccc4)nc3)cc2)CCC1 1789954555 MJJJXTQIKQOIFY-UHFFFAOYSA-N 438.531 5.046 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@@H]4C4CC4)CCC3)cc2)c1Cl 1790082695 GLBMJIHAPXZFJT-NHCUHLMSSA-N 433.939 5.005 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc4occc4n3-c3ccccc3)CCC2)cc1 1791588166 HSQWHQKEUGOEFJ-UHFFFAOYSA-N 439.515 5.547 30 20 IKED CC(C)(C)c1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(C#N)CCC2)cc(C(C)(C)C)c1 1804115243 GYXSLOLMAAXHOA-NUNAXRQHSA-N 449.639 5.227 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccccc2Cl)n[nH]1 1816904560 XMIVSSSWRSIRQV-FQEVSTJZSA-N 442.991 5.290 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(Cl)cccc3s2)n[nH]1 1818774754 CGXNHQGZIATHCW-MRXNPFEDSA-N 428.945 5.160 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(C)cccc3[nH]2)[nH]n1 1819307017 LXSGDGGXWYYRDI-FDDCHVKYSA-N 445.567 5.274 30 20 IKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccc(C)cc3s2)n[nH]1 1821528455 TURMIGHIUITIOU-IBGZPJMESA-N 434.565 5.042 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)[nH]n1 1821921569 SIPCEDPENFRIMM-UERWRGBPSA-N 426.605 5.221 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc(CCCCC)s2)[nH]n1 1821925003 KXEXHSHTUGHKFK-WMZOPIPTSA-N 443.617 5.117 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccccc3n2C)CC1 1823752447 SVTVOMSVZROZDJ-DEOSSOPVSA-N 449.639 5.404 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)cc2OC)CC1 1828829106 DGICRMRWWWVIKD-UPVQGACJSA-N 438.612 5.005 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(OC)c2C)CC1 1828829555 JDLDFYHDWUEUEY-ISKFKSNPSA-N 438.612 5.005 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)c2ccc(Cl)cc2)CC1 1832024852 KTDFKKBZTZQYRJ-GBXCKJPGSA-N 443.031 5.257 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCc2cccnc2)CC1 1832334280 CBPSKGJRBIZZJD-XMMPIXPASA-N 439.644 5.016 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCC3CCC3)CC2)c1 1832629486 RZBINHXGCGUPHG-NBGIEHNGSA-N 435.612 5.127 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)/C=C/C3CCCCC3)CC2)CC1 1838423797 CNJRCZKBUNVTKM-ZHACJKMWSA-N 444.660 5.114 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)CCC2)=C(/S)Nc1ccc(C(C)C)cc1 11264772 NNEIMTZRFIKWDC-UHFFFAOYSA-O 443.636 6.200 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccoc1C 21925386 SEMLRPQYXXLONJ-NRFANRHFSA-N 448.523 5.644 30 20 IKED CCCN/C(S)=C(/C(=O)c1ccc(C(C)(C)C)cc1)[n+]1ccc(Cc2ccccc2)cc1 22804694 FRIAZVAAXHGMHD-UHFFFAOYSA-O 445.652 5.801 30 20 IKED C[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)Nc1cccc(C#N)c1 33942157 XFNMBFLHFUPCNR-QGZVFWFLSA-N 437.528 5.197 30 20 IKED N#Cc1ccccc1N1CCCN(C(=O)c2ccccc2SCc2cccs2)CC1 60664718 OGDLSRWOXFMJAC-UHFFFAOYSA-N 433.602 5.265 30 20 IKED CCOc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1F 64301711 MRNAMLNSHWHMCP-UHFFFAOYSA-N 449.507 5.079 30 20 IKED N#Cc1nc(Sc2nnc(-c3ccc(F)cc3)n2Cc2ccco2)ccc1C(F)(F)F 409711938 MSDMCDDQAJQQDJ-UHFFFAOYSA-N 445.401 5.162 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2coc(-c3ccc(Br)cc3F)n2)s1 430602981 XIXXEDZFJIXTNA-LBPRGKRZSA-N 448.317 5.487 30 20 IKED N#C[C@H](CCc1ccccc1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 433296366 HQOHILWEQJQRHR-FQEVSTJZSA-N 438.358 5.690 30 20 IKED CC(C)(C)OC1CC(CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 433522856 WZOZZVXJIQRAKI-UHFFFAOYSA-N 439.531 5.382 30 20 IKED Cn1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(-c2ccoc2)n1 434632049 YVXCPUMWIGGWEK-CQSZACIVSA-N 443.315 5.600 30 20 IKED N#CCCn1cc(CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)c(-c2ccncc2)n1 434986127 MTWBHDYLEOWHJC-UHFFFAOYSA-N 439.485 5.257 30 20 IKED CC(C)[C@@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccnc1 435131061 AXLMLRWSQTYPCW-JOCHJYFZSA-N 432.499 5.233 30 20 IKED N#Cc1cccc(C#N)c1N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 436319679 FNETWXSFMZWPAS-QGZVFWFLSA-N 425.332 5.045 30 20 IKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 437468800 PRJCMBUXBKUTPB-HNNXBMFYSA-N 449.507 5.567 30 20 IKED CCc1cnc(N2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)s1 437836496 DJRHPKYSTBYRTM-UHFFFAOYSA-N 447.564 5.032 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 437841830 LVZPSALIPYUHBL-AHWVRZQESA-N 436.515 5.963 30 20 IKED CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)Nc1ccccc1SC[C@@H](C)C#N 438076144 SSPHRNWGBBJQJX-RBBKRZOGSA-N 436.625 5.314 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](c2nc(C)cs2)C2CC2)cc1 438181984 GMIHBUVWMOAXAY-OAQYLSRUSA-N 434.521 5.397 30 20 IKED C=CCC[C@@H](NC(=O)NC1CCN(Cc2ccncc2)CC1)c1ccc(C(F)(F)F)cc1 440816100 BFNYJMSXPCDAFU-JOCHJYFZSA-N 446.517 5.072 30 20 IKED N#C[C@H](C(=O)c1ccnc(OCC(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2)cs1 442688568 PKXVNBOMJJKJBW-CQSZACIVSA-N 437.830 5.290 30 20 IKED Cc1ccc(-n2ncc(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)c2C(F)(F)F)cc1 443885202 PDPCCBBZDLUIQW-UHFFFAOYSA-N 438.331 5.342 30 20 IKED N#Cc1cccc(CNC(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)c1 443949664 XLLPDGNMNUMSSN-UHFFFAOYSA-N 429.867 5.269 30 20 IKED Cc1ccc(C)c([C@@H]2CN(CC(=O)Nc3ccccc3S[C@H](C)CC#N)[C@@H](C)CO2)c1 444206256 PWZQVJCEZKDSTB-MZKRTTBSSA-N 437.609 5.098 30 20 IKED C=CC[C@@H]1N(C(=O)Nc2ccc(Cl)cc2-c2nc(CCOC)no2)CCCC1(C)C 444915419 WOAZPMKLFKHWQD-SFHVURJKSA-N 432.952 5.178 30 20 IKED COc1c(F)ccc(F)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 445792948 GJXPFUQCKOZEEY-UHFFFAOYSA-N 428.822 5.330 30 20 IKED Fc1cccc(-c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)no2)c1F 445811826 SRJRRQPRAHCGMJ-UHFFFAOYSA-N 425.235 5.037 30 20 IKED CCC(C)(C)OCc1ccccc1NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 446351807 ZUPPQHVTQDMETE-UHFFFAOYSA-N 436.556 5.170 30 20 IKED COc1cc(C[S@@](=O)Cc2ccc(C3CCC3)cc2)ccc1OCc1cccc(C#N)c1 447116188 KOMHFFLJTKEEHJ-YTTGMZPUSA-N 445.584 5.862 30 20 IKED N#Cc1cccnc1-n1cc(NC(=O)[C@H](Sc2ccccc2Cl)c2ccccc2)cn1 461315414 JPIATIUFEZVAND-OAQYLSRUSA-N 445.935 5.264 30 20 IKED CC1=C(c2ccco2)CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)CC1 461325464 MBRACDJFAPHXLB-UHFFFAOYSA-N 427.533 5.203 30 20 IKED N#Cc1cccc(-c2nnc(N(Cc3ccco3)Cc3ccco3)n2Cc2cccs2)c1 461499444 RXEKHJJLMDZKCZ-UHFFFAOYSA-N 441.516 5.319 30 20 IKED C[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1ccc(OCC(F)(F)F)cc1 468993688 OFMXWQGBXDRWHI-MRXNPFEDSA-N 429.442 5.377 30 20 IKED COCCC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1Sc1ccccc1C#N 471301225 ONAWCKYVHZZEIO-QFIPXVFZSA-N 430.573 5.477 30 20 IKED COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 472143981 KRHJIBHUMIDSLG-FYYLOGMGSA-N 428.488 5.418 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1nc(-c2c(F)cccc2F)cs1 473525528 PJRBWPBBISVHQE-OAHLLOKOSA-N 447.470 5.241 30 20 IKED Cc1cccc2c1OCC[C@H]2NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 473982034 MJWJRDMSQXAJRR-XMMPIXPASA-N 427.504 5.285 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCc1cn2cc(Br)ccc2n1 475578217 NGMXKVPZKOKDBP-UHFFFAOYSA-N 427.346 5.270 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1nc(-c2ccccc2)no1 476202326 YXMQPMAVYRDIMQ-JKSUJKDBSA-N 438.578 5.564 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N(CCC(F)(F)F)Cc1ccccc1 479734565 NLAZTVWNMBZARX-QGZVFWFLSA-N 436.371 5.983 30 20 IKED CCC(CC)[C@H]1C[C@@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCO1 481653213 FOULSIMYLYPLJT-UKILVPOCSA-N 435.568 5.437 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 482473168 GIUJZABVSILESD-UHFFFAOYSA-N 444.942 5.112 30 20 IKED N#Cc1ccc(SCC(=O)Nc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)cc1 482990547 IYWDENUZNMFNRB-UHFFFAOYSA-N 445.422 5.153 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2c(C)cc(C)cc2C)o1 483289596 APOCBFPZXXHXPX-KRWDZBQOSA-N 427.595 5.419 30 20 IKED COc1ccc([C@H](CNC(=O)CSc2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1 484937648 UZWXWYMNKQYSCI-QHCPKHFHSA-N 441.556 5.089 30 20 IKED C[C@@H]1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)[C@H]1c1ccc(C(F)(F)F)cc1 485322917 SIZPVCISLXSRNF-BDJLRTHQSA-N 427.348 5.214 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3ccccc3C(F)(F)F)on2)cc1 486190826 OUFAALVVMQOKCE-UHFFFAOYSA-N 429.398 5.320 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccc(F)cc1OC(F)F 486749985 XSFKNIWLXCFRIP-UHFFFAOYSA-N 425.300 5.096 30 20 IKED N#CCCC[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1 487502601 OJMOAHYTILCKKX-FQEVSTJZSA-N 442.346 6.132 30 20 IKED C[C@@H](Sc1nnc(-c2cccc3ccccc23)o1)C(=O)Nc1ccc(C#N)c(Cl)c1 488815191 BKKQVGCECYYOCY-CYBMUJFWSA-N 434.908 5.534 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC2(CC1)OCCc1ccsc12 491742995 NCALWDPEICKRDW-UHFFFAOYSA-N 446.597 5.475 30 20 IKED COc1ccc2c(-c3ccccc3)c(C(=O)NCc3ncc(-c4cccc(C#N)c4)[nH]3)oc2c1 493910352 CKODAXUEKLGWDM-UHFFFAOYSA-N 448.482 5.300 30 20 IKED COc1ccc(/C=C\c2nc3ccccc3c(=O)n2-c2ccccc2)cc1OCCCC#N 494126005 GGYTWMMTHTYFLP-PEZBUJJGSA-N 437.499 5.247 30 20 IKED C[C@H]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)CC1(F)F 496328546 MYMAUCFXOXOJSP-NSHDSACASA-N 444.429 5.133 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N1CCc2sccc2[C@H]1c1cccs1 497542914 TWXKSVBILKVJLN-QHCPKHFHSA-N 438.574 5.023 30 20 IKED C[C@@H](CC(=O)N[C@@H](C#N)c1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1 499391848 BWXPORQAGIKMJJ-SJCJKPOMSA-N 425.248 5.343 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)c1ccc(Br)cc1 499615934 FTCMBUYONCWZRG-HNNXBMFYSA-N 436.309 5.559 30 20 IKED CCN(C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1)[C@@H](C)c1ccc(C#N)cc1 500134216 DTOHIIYMEKPBSU-GBXCKJPGSA-N 439.559 5.173 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F 500899181 VFDJGORKNLYYGZ-FPOVZHCZSA-N 436.474 5.215 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)cc1 502175963 OCIPPPUALAZKJD-JWQCQUIFSA-N 427.548 5.353 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(NC(C)=O)c1C 502683164 WYKDKZCDYVAAKA-UHFFFAOYSA-N 434.309 5.075 30 20 IKED Cc1sc([C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)nc1-c1ccc(Cl)cc1 503429093 NBFUKLUVRWLRTL-MCMMXHMISA-N 447.988 5.211 30 20 IKED N#Cc1ccc(CC(=O)N(c2ccc(Cl)c(Cl)c2)c2nc3ccccc3s2)cc1 504375588 XEFZDOGQSPYXON-UHFFFAOYSA-N 438.339 6.382 30 20 IKED Cc1onc(-c2cccc(Br)c2)c1C(=O)N[C@H](C#N)c1ccccc1Cl 505636041 LAUICJZQGKLVOD-MRXNPFEDSA-N 430.689 5.061 30 20 IKED Cc1cn2c(n1)[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)CCC2 506109786 YMTDMVLYVFVNBO-WIYYLYMNSA-N 433.943 5.200 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(N2CCCC2)c1 506661632 LXTIAKKHRWSOKG-UHFFFAOYSA-N 432.337 5.409 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1 507872806 LCXNAWXVEOCSDC-UHFFFAOYSA-N 439.496 5.917 30 20 IKED CCN(C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12)[C@@H](C)c1ccc(C#N)cc1 509564972 RGNIXDYNNKRSIS-INIZCTEOSA-N 428.492 5.503 30 20 IKED CN(C)[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccs1 510011030 SOHGFQWBFSWCKI-CTNGQTDRSA-N 438.984 5.481 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 510676124 WKFZUTABFGHDLA-NFBKMPQASA-N 440.547 5.616 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3csc4ccccc34)c2)c1 511498723 PBGJBTCLMBUSIV-UHFFFAOYSA-N 426.501 5.347 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)Nc3cnn(Cc4ccccc4)c3)c2)cc1 511587513 SZPTYCXQLUBUKM-UHFFFAOYSA-N 437.503 5.220 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c(Br)c3)n2)cc1 511907335 YPQFKGVOGVXCEG-CQSZACIVSA-N 442.725 5.588 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 515195667 PARYIANZGHBFLB-UHFFFAOYSA-N 448.482 5.559 30 20 IKED CCOc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cs2)cc1 515540291 YESJCIUNBJYNND-HNNXBMFYSA-N 438.459 5.444 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2Cl)cc1 516005933 YUQJSIRQZZYACB-UHFFFAOYSA-N 428.231 5.818 30 20 IKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cccs1 520005646 OJKWKXPFXNJQLN-NRFANRHFSA-N 433.533 5.254 30 20 IKED CC1CCN([C@@H](CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2cccs2)CC1 520197131 VVRBQQVOLISVGG-ICSRJNTNSA-N 442.654 5.737 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N(C)c1cccc(C#N)c1 520375282 JIYCRXHIHKZRFG-UHFFFAOYSA-N 427.888 5.250 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)cc1Cl 521695279 OERVVMLDQQCNSH-UYAOXDASSA-N 440.334 5.324 30 20 IKED N#Cc1ccc(C(=O)N(Cc2ccc(F)cc2)c2nc(-c3ccccc3Cl)cs2)nc1 522680209 XSJSUDXSCQMPRY-UHFFFAOYSA-N 448.910 5.716 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C 524044965 RWAIQJDLVCZDJE-UHFFFAOYSA-N 445.567 5.030 30 20 IKED C=CC1CCN(C(=O)Nc2ccc(OC)c(NC(=O)c3ccc(Cl)cc3F)c2)CC1 524258222 NLTCSMMYWYXCAO-UHFFFAOYSA-N 431.895 5.170 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1-c1nc(C(C)C)no1 524261459 RKAUPBSXAPPLBX-UHFFFAOYSA-N 439.475 5.480 30 20 IKED Cc1ccc2c(C3=CCN(C(=O)c4ccc(COc5ccc(C#N)cc5)o4)CC3)c[nH]c2c1 524414803 URJSSQLNGDAZRH-UHFFFAOYSA-N 437.499 5.450 30 20 IKED CCCC(=O)Nc1cccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1C 524502713 YZHCXSYJRACQDH-UHFFFAOYSA-N 427.504 5.437 30 20 IKED C=CCN(Cc1ccc(OC)cc1)Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1 533777200 BDHZRLFJDFVGTG-UHFFFAOYSA-N 435.593 5.641 30 20 IKED C[C@@H](C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)c1cccc(C(=O)c2ccccc2)c1 534906181 XUFUDPDVEOUYHZ-OPAMFIHVSA-N 436.433 5.421 30 20 IKED Cc1cc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2cccs2)CC3)nn1CCC#N 535766322 HZMPWWOEYMWNQN-BMRADRMJSA-N 439.544 5.454 30 20 IKED C=C[C@@H](CC(=O)N1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1)c1ccccc1 536186182 XYJSQKWQONIFJK-IBGZPJMESA-N 443.522 5.714 30 20 IKED Cc1nc([C@H](NCc2cccc(OCc3ccccc3C#N)c2)c2ccc(Cl)cc2)no1 539547998 GFTZBPWIYKROTJ-XMMPIXPASA-N 444.922 5.361 30 20 IKED COc1ccc(C(=O)c2ccccc2C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1 543058329 SEGVDLCQQSOSIR-IBGZPJMESA-N 445.425 5.161 30 20 IKED COc1cc(C#N)ccc1NC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 545295844 ZGZWIYHRMMVQLO-UHFFFAOYSA-N 441.318 5.503 30 20 IKED COc1ccccc1Oc1ccc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 554470501 NNIKFIPIJHZSMH-GOSISDBHSA-N 447.560 6.203 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 555074754 VWHRLFHHOPBNGQ-OYHNWAKOSA-N 447.526 5.637 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(OC(C)(C)C)CC1 555238142 DXDHVVOEWZJJGD-HXUWFJFHSA-N 426.605 5.395 30 20 IKED C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)Cc1csc([C@@H](C)OCC)n1 555255962 BNSTVVSOQVQFRD-MRXNPFEDSA-N 436.585 5.193 30 20 IKED C=CCC[C@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(C(F)(F)F)cc1 558571230 NKZUBPCNWFMRQQ-FQEVSTJZSA-N 442.485 5.375 30 20 IKED N#Cc1ccc(-c2nnc(N3CCC(OCC4CCCC4)CC3)n2Cc2cccs2)cc1 559163268 OWJRJFKFDNTRQG-UHFFFAOYSA-N 447.608 5.102 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC2(c3ccccn3)CCC2)cc1Cl 562101996 WNGKTADLJGMCFZ-OAQYLSRUSA-N 430.939 5.634 30 20 IKED COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1 564440788 BBLQLQSNSULGLM-HSZRJFAPSA-N 444.491 5.132 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](Sc1ccccc1F)c1ccccc1 566906762 ZXCNNLIHFWNYSG-HXOBKFHXSA-N 436.577 6.550 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(-c2ccncc2)cc1 567549867 KDVSZBKNOMISRW-GOSISDBHSA-N 435.487 5.690 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)NC(=O)N(C)CCOCc2ccc(C#N)cc2)cc1 568554760 OQTAQLIUEBFOOD-HXUWFJFHSA-N 443.547 5.153 30 20 IKED C[C@H](NC(=O)CNc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(Cl)c(Cl)c1 572569668 SRNYRMUJVUBKHY-AWEZNQCLSA-N 441.318 5.342 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCCC[C@H]3c3cc4ccccc4[nH]3)cc2)ccn1 574244941 ZFLHIBIUSXJNPD-VWLOTQADSA-N 437.503 5.986 30 20 IKED C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NCc1ccc(C#N)c(Cl)c1 586779263 LJWDRFCJRFICPM-NSHDSACASA-N 430.257 5.391 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)NCc2ccnc(Oc3ccccc3)c2)cc1 603672250 QRGBPIICSWJCRU-UHFFFAOYSA-N 435.483 5.255 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 603758896 NKDNNZMZZGKBLB-JOCHJYFZSA-N 431.948 5.739 30 20 IKED C[S@](=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 603838331 GPAGXSXNGZUQCP-RXAIFQJESA-N 435.357 5.344 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(Br)cc2Cl)cc1 603961533 AWFZDIZFFRGJBN-UHFFFAOYSA-N 431.639 5.179 30 20 IKED Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 604003156 GOLNLHFWVUYQOH-GOSISDBHSA-N 434.923 5.700 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3csc(-c4cccs4)n3)cc2F)c1 609104158 RMORWHDBAQBVJS-UHFFFAOYSA-N 449.532 5.643 30 20 IKED CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1 609296506 WZFHGHJFOFUXLS-UHFFFAOYSA-N 431.467 5.224 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 609436498 NINYDXXUMUNSQD-ZWKOTPCHSA-N 428.627 5.176 30 20 IKED N#Cc1ccccc1CSCCNC(=O)N1CCc2sccc2[C@@H]1c1cccs1 609639412 MRLNWIRZLLLCLV-OAQYLSRUSA-N 439.631 5.272 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCC(c4c[nH]c5ccccc45)CC3)c2)c1 609659075 RJAGSMSLCPSZPG-UHFFFAOYSA-N 435.527 5.638 30 20 IKED CC(=O)Nc1cc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)ccc1Cl 609725224 OVHPZMNBGJCNLF-UHFFFAOYSA-N 440.286 5.868 30 20 IKED CC(C)NC(=O)Nc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 609729922 ZHZXVEIIXFHLEA-UHFFFAOYSA-N 448.910 5.786 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)NC3C[C@@H]4CC[C@H](C3)N4Cc3ccccc3)c2)cc1 609989454 YVZIQLZBLMAGHP-COZMKHHLSA-N 436.559 5.227 30 20 IKED FC(F)(F)Oc1ccc(OCCN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 610409719 YWBJICLCJMNDBF-PHIMTYICSA-N 425.291 5.027 30 20 IKED C[C@H](CCc1ccc(Br)cc1)NC(=O)c1c(Cl)cc(C#N)cc1Cl 611093741 XOKZPKVKPAAEAZ-LLVKDONJSA-N 426.141 5.379 30 20 IKED C[C@H](NC(=O)N[C@H](Cc1nccn1C)c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 611846873 AYNLYOMZLGPXMF-RXFWQSSRSA-N 449.558 5.303 30 20 IKED COC(=O)c1ccc(C(=O)N(C)[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1F 611973664 WSCGFLQLQCZQKB-OAHLLOKOSA-N 437.311 5.007 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C)n1CC(F)(F)F 613320300 WABXTEIWRNRLFD-MRXNPFEDSA-N 437.874 5.934 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3nc(-c4ccc(F)cc4)cs3)cn2)cc1 613896184 SBFNHHOYUABCDB-UHFFFAOYSA-N 430.464 5.189 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(C)c(Br)c2C)c1C#N 616903684 LSBOCLZRNSEDAM-UHFFFAOYSA-N 441.354 5.098 30 20 IKED C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)c2ccccc12 673238191 AQYRIJJJITYFHS-AVGNSLFASA-N 436.371 5.812 30 20 IKED N#C[C@H](C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)c1nc2ccccc2s1 673811562 GBXIHRAPSMUZDM-CYBMUJFWSA-N 429.448 5.929 30 20 IKED COCCCOc1cccc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)c1 726626628 ITHTZGKDDAIJOJ-ODLFYWEKSA-N 444.965 5.033 30 20 IKED C=CCOc1ccc(C=Nn2c(C)nc3sc4c(c3c2=O)CCCCC4)cc1Cl 727254438 SQCMJPBSCKGFEI-UHFFFAOYSA-N 427.957 5.136 30 20 IKED C=C(C)CN1CCC(NC(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)CC1 730061331 FOIBQLOWKISMBJ-HNNXBMFYSA-N 428.429 5.135 30 20 IKED Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)o2)c1 732398857 DJKSIPOCLIRTPF-MRXNPFEDSA-N 426.432 5.022 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 732593294 JUKRLHAZOKMHSF-SMIHKQSGSA-N 444.918 5.370 30 20 IKED C[C@H](Nc1ccc(N(C)Cc2ccccc2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 732916942 ARKOPRABDKCQER-KRWDZBQOSA-N 430.577 5.184 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)C(CC)(CC)c2ccc(Cl)cc2)ccc1OC 733227758 CSQWMBOHGNOUBL-FQEVSTJZSA-N 428.960 5.404 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2cccc(Br)c2)C(C)C)c1 733851954 NVVHNMXFOWICAS-FQEVSTJZSA-N 444.373 5.250 30 20 IKED Cc1cc(CC(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c(C)n1-c1ccc(Cl)cc1 734081811 SFKWHJLNZZVZGY-NRFANRHFSA-N 446.963 5.685 30 20 IKED Fc1ccc(NC(=S)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)c(F)c1 735981287 FBHWOUWCWMHMGF-UHFFFAOYSA-N 430.320 5.734 30 20 IKED N#C[C@@H](C(=O)c1cccc(-n2cccn2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 737322362 DXOZOZFQNYKSBG-AWEZNQCLSA-N 440.315 5.188 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)NC[C@@H](O)c3c(Cl)cccc3Cl)c2)s1 740916775 CCTPKHLTZRDLSB-GOSISDBHSA-N 446.359 5.126 30 20 IKED CC(C)n1ncc2cc(C=NNc3c(F)cc(F)cc3Br)c(Cl)nc21 741767455 JECKNWLSAGQSTA-UHFFFAOYSA-N 428.668 5.152 30 20 IKED O=C(Nc1ccc(C(=O)N2CCCSC2=Nc2ccccc2)cc1)OCC(F)(F)F 744349694 AISIUZFECONLSQ-UHFFFAOYSA-N 437.443 5.064 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN(CC)Cc2ccc(C(F)(F)F)cc2)c1=S 746042919 MZUHXPCRRRBBRG-UHFFFAOYSA-N 433.503 5.160 30 20 IKED CC(C)(C)OC(=O)N1CC(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 746127904 INRLXOAPIMCQSX-FQEVSTJZSA-N 439.943 5.191 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)c1 747111551 BRXLMUBMKVFYBX-KRWDZBQOSA-N 444.343 5.315 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@H](OC(=O)/C=C\c1ccccc1C#N)C(F)(F)F 747773038 KXPDBUFQBSUIBI-MLUDITRGSA-N 425.410 5.221 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)cc1 749122644 MOCXNSOVSVPTBV-JOCHJYFZSA-N 446.432 5.799 30 20 IKED COc1ccccc1N(C(C)=O)c1nc(CON=C(c2ccccc2)C(F)(F)F)cs1 751950707 BNVXOXAKGMMULN-UHFFFAOYSA-N 449.454 5.320 30 20 IKED CC1CCN(C2CCC(NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)CC1 752184261 JXXJUQUAMTZXMS-WNMGUVTHSA-N 430.596 5.507 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(CCCN3CCCC3)CC2)cc1 752188178 ZRPNYCPGPHVBSZ-AREMUKBSSA-N 430.596 5.462 30 20 IKED O=C(/C=C\c1nc(-c2cc(Cl)ccc2Cl)cs1)c1ccc(N2CCOC2=O)cc1 753901322 ZMPCQHAIDJHKSS-FPLPWBNLSA-N 445.327 5.970 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2cccc3c2CN(c2ccccn2)C3)cc1 757881654 OPIYXBKSTAFBJI-XMMPIXPASA-N 445.526 5.901 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)c2scnc2C2CCCC2)n(C2CCCC2)c1C 759756506 GNJZSLAXQYMKSB-UHFFFAOYSA-N 440.569 5.001 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCc1c(F)c(F)c(F)c(F)c1F 765331752 GSKWRGYFAZUMLP-UHFFFAOYSA-N 427.398 5.031 30 20 IKED N#Cc1ccc(N2CCC[C@@H]2C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 777304182 MSQFCXFXWDCMNF-FUHWJXTLSA-N 440.450 5.032 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1SCC[S@](=O)c1cc(Cl)ccc1Cl 777569239 LXTQTANMHNRNPI-VWLOTQADSA-N 425.284 5.179 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12 780158822 HUKFOQBLDVWWQT-MRXNPFEDSA-N 445.469 5.975 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 780306378 VRDKYSCDDRCNKW-QFIPXVFZSA-N 449.510 5.570 30 20 IKED COc1ccccc1-c1ccc(CN(C(=O)Nc2ccccc2O[C@@H](C)C#N)C(C)C)cc1 780679344 AWHYXURDLCEGOU-FQEVSTJZSA-N 443.547 6.096 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC2CCC(O)(c3ccc(C(C)C)cc3)CC2)ccc1OC 781903654 BQZWFVFGDODSPD-IDZWTHILSA-N 436.596 5.420 30 20 IKED Cc1cc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(C)s1 783364376 NJVRZIWEGDCPAO-CQSZACIVSA-N 430.501 5.606 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)c1csc(Br)c1)c1ccc(Cl)cc1Cl 787051246 HLXUHQXWFMVODR-UFBFGSQYSA-N 446.153 5.017 30 20 IKED COc1cccc(C(=O)/C(=C/c2ccc(-c3nc4ccccc4s3)o2)c2ncc[nH]2)c1 787169091 LTZDJPLFDRAGDU-JXAWBTAJSA-N 427.485 5.712 30 20 IKED C=CCn1c(SCc2cnc(Cl)cn2)nc2sc(-c3ccccc3)cc2c1=O 789722439 JNNFWGIWLXYHFG-UHFFFAOYSA-N 426.954 5.047 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cccc(Br)c3C)n2)cc1 791783624 MFYVIMLFGVXRGT-KRWDZBQOSA-N 441.350 5.309 30 20 IKED Cc1ccc(N(CCC#N)C(=O)COC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1C 799618552 IQDRDRYXMSBABV-UHFFFAOYSA-N 439.726 5.367 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)NCC(F)(F)C(F)F)c(C(F)(F)F)c1 801626182 HQIHHZDXEKLGAF-UHFFFAOYSA-N 433.324 5.074 30 20 IKED CS[C@@H]1CC[C@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)C1 806791985 JQAJZQQECPQKMR-UONOGXRCSA-N 440.516 5.030 30 20 IKED C[C@@H](NC(=O)[C@@H](C#N)C(=O)Cc1c[nH]c2cccc(Cl)c12)c1ccc(Cl)cc1Cl 816038688 DLCRNPONFPIZEW-ABAIWWIYSA-N 448.737 5.257 30 20 IKED CC(C)Oc1ccc(-c2ccc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)c(F)c2)cc1 817050271 IDJCQWVXBQYJAK-JOCHJYFZSA-N 427.479 5.473 30 20 IKED Cc1c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc([N+](=O)[O-])cc1[N+](=O)[O-] 875470597 IKVSBNGJSOEFJC-LBPRGKRZSA-N 442.497 5.148 30 20 IKED N#CC1(c2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)CCCC1 904669505 ZZXBEIIFKLCQDH-UHFFFAOYSA-N 434.805 5.931 30 20 IKED N#C[C@H](C(=O)c1ccc2c(c1)-c1ccccc1C2)c1nc(O)c2c3c(sc2n1)CCCC3 916846926 HXHABJGXWXHMJI-HXUWFJFHSA-N 437.524 5.337 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cccc(Cl)c3c2Cl)cc1OC 916934063 FFUHKDCCZXGDLL-NSHDSACASA-N 449.315 5.186 30 20 IKED N#C[C@H](C(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)Nc1ccc(F)c(Cl)c1 916937767 GEOLUDAXFMCCBW-MRXNPFEDSA-N 428.822 5.158 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(OC3CCCC3)c(OC)c2)cc1 916948656 IXFKXFIBQUEYFG-VGOFRKELSA-N 434.536 5.491 30 20 IKED COc1cc(C(=O)/C=C\c2cnn(-c3ccc(Br)cc3)c2)ccc1OC(F)F 917142363 BCWQGYUDHKCDCN-WAPJZHGLSA-N 449.251 5.141 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)cs1 917561653 IZWAMRFOSBMTOJ-VKAVYKQESA-N 438.552 6.699 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cnccc34)cc2)CCC1 1789388896 GCYVWMQZRJNREM-UHFFFAOYSA-N 428.536 5.079 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CNc4ccccc43)CCC2)cc1 1789451547 LHYXVJKUSJYJEK-JTHBVZDNSA-N 429.564 5.098 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3scnc3C3CC3)CCC2)cc1 1789452832 AKAJPUKXKGEDBR-FQEVSTJZSA-N 435.593 5.537 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4[nH]ccc4n3)CCC2)cc1 1789453830 GOWNPJQALGUUPQ-FQEVSTJZSA-N 428.536 5.079 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccccc4)CCC3)cc2)cc1 1790706180 KHINYFXZSQCIRI-CXUHLZMHSA-N 435.527 5.214 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCOc1ccc(Cl)cc1)C2 1792569937 MQXCDAMMXCTZBY-WKCHPHFGSA-N 447.019 5.130 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(F)ccc3s1)C2 1798592631 AMDLIJYEVKBRLF-REPLKXPHSA-N 428.573 5.285 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc(Cl)cc1Cl 1801556388 HGIWPRIFWBOKIC-WOZUAGRISA-N 449.422 5.333 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)CCCCC)[C@H]1c1cccnc1 1810181525 IMMQBRBUFNBKLZ-ONTLXTELSA-N 425.617 5.072 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cnc2Cl)CC1 1826189864 GJUFZDZMXXAHSH-OAQYLSRUSA-N 446.035 5.269 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3sccn3c2)CC1 1827406256 NVJNVUCZHIJJRB-YADHBBJMSA-N 439.625 5.003 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H](C)c2ccccc2)CC1 1831509820 NZRODKBIVGTFLD-KNQAVFIVSA-N 432.555 5.011 30 20 IKED CC/C=C(\C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1832516809 NTSXLXNLZHRSIC-YOKWNPFVSA-N 430.709 5.014 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(C)cc2C)cc1 10168776 XLBHOSBCMWQYGS-UHFFFAOYSA-O 431.625 6.211 30 20 IKED Cc1cc(C(=O)/C(=C(\S)Nc2c(C)cccc2C)[n+]2ccc(N(C)C)cc2)c(C)s1 11153729 GNBCTLGLSUGMBA-UHFFFAOYSA-O 438.642 5.386 30 20 IKED CC(C)OCCCn1c(NN=C2CCC(c3ccccc3)CC2)nc2ccccc2c1=O 19333272 BLIJDXBLEDBKQW-UHFFFAOYSA-N 432.568 5.337 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 32785669 GOWVZIGEKLRGOG-QZTJIDSGSA-N 446.576 5.159 30 20 IKED C=CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1[C@@H]1COc2ccccc2O1 36189131 RCMOUQCYCKVWBL-SFHVURJKSA-N 433.455 5.288 30 20 IKED C=CCn1c(S[C@@H](C)c2ccc(F)c(Cl)c2)nnc1[C@H]1COc2ccccc2O1 59928184 OVGJONXSIDNDRL-ORAYPTAESA-N 431.920 5.622 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1ccccc1SC[C@H](C)C#N 303247598 AZTZCQNTGLEBER-LLVKDONJSA-N 434.011 6.338 30 20 IKED N#CCCSc1ccccc1NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 303260197 DZVCDOHPWWQWQR-UHFFFAOYSA-N 448.400 6.304 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 303312570 GBOOURONQRUXDZ-LBPRGKRZSA-N 434.011 6.100 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl 303324661 VBRSJAMBPNEFHO-LLVKDONJSA-N 429.756 6.059 30 20 IKED N#CCCN(C(=O)CNc1ccc(F)cc1OCCC(F)(F)F)c1cccc(Cl)c1 409880642 SANUASPERQRANY-UHFFFAOYSA-N 443.828 5.169 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(O)nc2c(Br)cccc12 426264446 CIRNOUVUMQHKER-LBPRGKRZSA-N 442.338 5.349 30 20 IKED COc1ccc(C[C@H](NC(=O)c2cccc(SCC#N)c2)c2ccccc2)cc1OC 429784289 ISXNCUYYCGBWEV-QFIPXVFZSA-N 432.545 5.033 30 20 IKED C=CCC[C@@H](NC(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1)c1ccccc1 435759423 HUHYHLIBXMVFHJ-NTKDMRAZSA-N 428.536 5.402 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc(C2CCCCC2)cs1 435892802 MKXWUOYNIRPMTN-MRXNPFEDSA-N 445.679 6.457 30 20 IKED CCSCC[C@H](C)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 437966132 VQXLIIOISFSWMZ-INIZCTEOSA-N 431.989 5.786 30 20 IKED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 438015980 UNFQRAHTBNYZCD-UTKZUKDTSA-N 434.367 5.081 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O 438054481 HZTJJLBGOCIZLM-MAUKXSAKSA-N 442.972 5.051 30 20 IKED C=CCC[C@@H](NC(=O)N[C@H]1CCCn2nc(C(C)C)nc21)c1ccc(C(F)(F)F)cc1 440863501 XBGWRUIUNDKDCO-MSOLQXFVSA-N 435.494 5.262 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 442673055 RXOGZQQGGNDDOD-HNNXBMFYSA-N 427.316 5.587 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C(=O)NCC(C)(C)C)cc3)n2)cc1 442857139 FFMIPPCOZHCQNR-HXUWFJFHSA-N 447.560 5.085 30 20 IKED O=C(Nc1c(F)cc(F)cc1F)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 443918193 RDZSJMCTBZULBD-UHFFFAOYSA-N 447.253 5.238 30 20 IKED C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(CC(F)(F)F)CC1 460385379 ZQHOZYONVMOJJY-UHFFFAOYSA-N 438.494 5.097 30 20 IKED Cc1ccc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)cc1NC(=O)c1ccco1 460470110 JITQBRDNIMUGHO-UHFFFAOYSA-N 431.536 5.165 30 20 IKED C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H]1c1cc(F)cc(Br)c1 460769923 PMQINNRXPYDVGW-LJQANCHMSA-N 442.336 5.159 30 20 IKED N#Cc1ccc(-c2nnc(N3CCC[C@@H]3c3ccccc3Cl)n2C[C@H]2CCCCO2)cc1 461737785 XDOFIBXPPPEBKM-NFBKMPQASA-N 447.970 5.381 30 20 IKED CC(C)c1oc([C@H]2CCCN2c2nc(C(F)(F)F)ccc2C#N)nc1-c1ccccc1 462109796 GDRJABSBDRJUCM-QGZVFWFLSA-N 426.442 6.092 30 20 IKED CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 462433974 ZEIJPZYPWDTXSN-SFHVURJKSA-N 430.464 5.170 30 20 IKED C[C@H](SCC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1nc2ccccc2[nH]1 464667690 VYFVAFHJSDXOIT-HNNXBMFYSA-N 429.505 5.055 30 20 IKED CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)n1 464670873 SGTGZBNHOPOOTI-UHFFFAOYSA-N 439.475 5.345 30 20 IKED C=CCn1c(SCc2oc(-c3ccccc3)nc2C(=O)OCC)nnc1-c1ccccc1 466606388 HQOZTAZJDWRUJW-UHFFFAOYSA-N 446.532 5.255 30 20 IKED COc1ccccc1-n1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c1C 467187740 UHTSPUBYZMQLIT-SFHVURJKSA-N 428.517 5.111 30 20 IKED CC(C)c1ccc2c(c1)[C@H](NC(=O)Nc1ccc3c(c1)CCC(=O)N3CCCC#N)CCC2 470547849 UHQOKTWULJVASC-XMMPIXPASA-N 444.579 5.592 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)n1 474444825 JKUHKXGTIYJYDZ-OAHLLOKOSA-N 437.525 5.205 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 476124566 ZGRURGZRUQXLPB-UHFFFAOYSA-N 443.374 7.072 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 477890880 MHERQXVQHHEZSI-MRXNPFEDSA-N 441.984 5.079 30 20 IKED C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 480363372 XWTPZWZNEOSZAI-MDASCCDHSA-N 435.877 6.190 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)cc1 483300307 VGLYTYRYYGXREY-ZWKOTPCHSA-N 442.359 5.151 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cnn(-c3ccc(C)cc3)c2C(C)C)cc1 484013936 RJXNUZINGUQDCZ-UHFFFAOYSA-N 432.528 5.256 30 20 IKED COc1cccc2[nH]cc(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)c12 486903496 ALBXULDFYUBLHD-UHFFFAOYSA-N 425.488 5.117 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Nc3ccn(CC(F)(F)F)n3)cc2Cl)c1 486952029 AOWGFVFYDOCWEB-UHFFFAOYSA-N 449.820 5.193 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C(=O)OC)c1ccccc1Cl 489611863 BMKNORRWXZIFHR-HXUWFJFHSA-N 443.956 5.011 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H]1CCO[C@H]1c1ccccc1 489837427 DLWDFSOJNAOOFM-BVAGGSTKSA-N 441.531 5.345 30 20 IKED N#CCCCOc1cccc(NC(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)c1 490593313 VMIAJUOELSJEJI-QGZVFWFLSA-N 443.372 5.396 30 20 IKED CCOc1ccc(F)c(NC(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)c1F 493810519 PSUAWJYNUVMVDZ-OAHLLOKOSA-N 440.315 5.390 30 20 IKED C=CCN(Cc1cccs1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC=C 494297383 FNLIDJSKWPYWSV-UHFFFAOYSA-N 445.013 5.153 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 502583901 GJQLGMQRHAFZRW-UHFFFAOYSA-N 443.522 5.178 30 20 IKED CN(C(=O)CSCc1ccc(C#N)cc1)[C@@H]1CCSc2ccc(Br)cc21 504633137 DOYJTQLROYJJGP-GOSISDBHSA-N 447.423 5.249 30 20 IKED C[C@@H](NC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(C#N)cc1 505326547 VKWSKMJFKBXEKT-HXUWFJFHSA-N 435.531 5.314 30 20 IKED N#C[C@H](NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccccc1Cl 505694569 NZMJYOFBKZVJBU-NRFANRHFSA-N 443.890 5.262 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCc2cc(F)c(F)c(F)c2)cc1 506952016 NNSIHCLYSSWDRO-UHFFFAOYSA-N 439.437 5.113 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)c1 508435631 KLSKKRGZQCNEKT-UHFFFAOYSA-N 425.275 5.761 30 20 IKED C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@@H](CC(F)(F)F)C1 508849242 QANJDFANJDMSAM-HNNXBMFYSA-N 433.503 5.342 30 20 IKED CCN(Cc1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1)C1CC1 508928042 PQTVQOSKXGPYAV-UHFFFAOYSA-N 426.520 5.291 30 20 IKED C=CCn1c(COCc2ccccc2)nnc1N1CCC(c2c(C)[nH]c3ccccc23)CC1 508930466 LQPSKUBPUQZFKW-UHFFFAOYSA-N 441.579 5.355 30 20 IKED C[C@H](NCc1nc2cc(Br)ccc2o1)c1ccc(-c2cccc(C#N)c2)cc1 509007573 SOECTMQNWIWCET-HNNXBMFYSA-N 432.321 5.980 30 20 IKED C=CCN(C(=O)CCn1cc(Cl)cn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 510661252 VFCCGZYPPTYYGU-UHFFFAOYSA-N 441.771 5.576 30 20 IKED CCCC(=O)Nc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 510744193 DERZZRXHNIIOBG-UHFFFAOYSA-N 442.519 5.719 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@H](C[C@H]3CCOC3)c3ccccc3)cc2)cc1 512195122 JCIWPFDWBAWKAU-QFQXNSOFSA-N 426.516 5.443 30 20 IKED CCc1c(-c2ccc(Br)cc2)n[nH]c1NC(=O)c1cc(C#N)ccc1Cl 512686430 HEFYTEYLQKSMQB-UHFFFAOYSA-N 429.705 5.179 30 20 IKED N#CCCCOc1cccc(CN2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 513128115 NVTHOGUQVWMVRQ-HXUWFJFHSA-N 436.943 5.452 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1nc2ccccc2[nH]1 513655437 QVJRGMQOTSZRNH-INIZCTEOSA-N 427.851 5.152 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(OCc2cccnc2)c1 514569512 MRJPRISRUCDNID-UHFFFAOYSA-N 436.471 5.280 30 20 IKED N#CCCSc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 517440262 KAXQPBIGJVXYMW-UHFFFAOYSA-N 430.942 5.127 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)nnn1-c1ccc2ncccc2c1 518734640 SQSCQICKMCRBRK-UHFFFAOYSA-N 446.470 5.040 30 20 IKED COc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OCc1cscn1 518739151 PSIRXCBARFUONE-OAHLLOKOSA-N 439.562 5.377 30 20 IKED Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)n2)n1 519031088 CAVMCRWVABGPQS-UHFFFAOYSA-N 443.894 5.454 30 20 IKED C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 519198905 CKJLUSUPOZEETI-GOSISDBHSA-N 438.491 5.156 30 20 IKED COc1ccc(C2(NC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC2)cc1 520264108 XADITCKMOANNFL-UHFFFAOYSA-N 431.467 5.096 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(OCc2ccccc2)cc1 520858074 LIDGUCWFVQLRRQ-LJQANCHMSA-N 431.561 5.839 30 20 IKED Cc1cc(Br)ccc1SCC(=O)Nc1ccccc1S[C@@H](C)CC#N 521326655 BJIWGEDGPJKDFF-AWEZNQCLSA-N 435.412 5.883 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(OCc2cccc(F)c2)cc1 521809042 UFFYRCPJPXJHAY-GOSISDBHSA-N 449.551 6.121 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)c1 523503592 AKPNVBJQGXEZMN-HXUWFJFHSA-N 434.879 5.424 30 20 IKED N#Cc1cc(NC(=O)c2csc(-c3c(F)cccc3F)n2)ccc1OCC(F)(F)F 523823914 LTGIYSNJBZPRSL-UHFFFAOYSA-N 439.365 5.153 30 20 IKED O=C(c1cc2ccccc2cc1OC(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 534884132 JSFQLGFRRULJPL-UHFFFAOYSA-N 427.291 5.398 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(c2ccc(F)cc2F)CCOCC1 535532145 GITQQCOPSWINKC-UHFFFAOYSA-N 449.457 5.019 30 20 IKED Fc1cccc([C@@H](NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccn2)c1 535735145 FJXPSWHPPRHGRL-LJQANCHMSA-N 428.351 6.138 30 20 IKED N#CCCn1cc(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c(-c2ccccc2)n1 536683038 AFVQMLPBRIEXLC-JOCHJYFZSA-N 441.362 5.344 30 20 IKED Cc1cc([C@@H](NC(=O)Nc2cc(C)n(CCC#N)n2)c2ccccc2Cl)ccc1F 538614801 KESPDMRPNILCHO-OAQYLSRUSA-N 425.895 5.117 30 20 IKED CC(C)NC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 541086589 XMUHPVXJWGLECT-GOSISDBHSA-N 426.520 5.246 30 20 IKED CC(C)OCc1c(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)oc2ccccc12 541140535 TUOFZYNEDLAVPZ-UHFFFAOYSA-N 434.883 5.321 30 20 IKED O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1cc(F)c(F)cc1Br 543130947 XYCWFPOZCHMKOP-CYBMUJFWSA-N 430.117 5.039 30 20 IKED C=CCOc1ccc(/C=C/c2nc(-c3ccc(OC4CCOCC4)cc3)no2)cc1OC 545795070 RAOHPMVTWUIYRI-VZUCSPMQSA-N 434.492 5.038 30 20 IKED CC[C@@H](CC#N)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(OC)c1OC)CC2 546588499 FGFNMVUGNOGLJL-MBWHEXEYSA-N 441.531 5.161 30 20 IKED C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](Nc2ccccc2)C1 549691171 XWVCVGNBKGVHPL-NRFANRHFSA-N 449.624 5.236 30 20 IKED N#C[C@@H](NC(=O)c1cccc(F)c1Br)c1ccc(OCc2ccccc2)cc1 550218146 YMNORRKVAKMVNB-HXUWFJFHSA-N 439.284 5.162 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)c3cnc(C(F)(F)F)c(C#N)c3)s2)cc1 550982511 OVHGGMBRVIWFSK-AWEZNQCLSA-N 444.482 5.546 30 20 IKED N#Cc1ccc(CSCC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1 557174416 TUURLIMMJNBMNP-QFIPXVFZSA-N 448.510 5.094 30 20 IKED COC(=O)c1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)c(OCC(F)(F)F)c1 559532782 BMKLWAXBWJKNLV-UHFFFAOYSA-N 448.422 5.061 30 20 IKED CC(C)Oc1ccc(-c2cccc([C@@H](C)N(C)C(=O)C(=O)Nc3sccc3C#N)c2)cc1 559828270 UWFYXTBAIWODIB-QGZVFWFLSA-N 447.560 5.232 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(Cl)c2OCC(F)F)c1 561873677 SMRLNTZQJRNZTI-UHFFFAOYSA-N 432.810 5.280 30 20 IKED CCOc1cc(Cc2noc(-c3cc(C#N)oc3C)n2)cc(Cl)c1OCC(F)(F)F 568065036 YYAOBCRRFZRMBV-UHFFFAOYSA-N 441.793 5.094 30 20 IKED N#CC1(CNC(=O)Nc2ccc(-c3nc4cc(Br)ccc4s3)cc2)CC1 572316806 NCYUOKVVXNHONR-UHFFFAOYSA-N 427.327 5.151 30 20 IKED Cc1ccc(CNC(=O)c2cccc(-c3noc(C[C@@H](CC#N)c4ccccc4)n3)c2)cc1 579159656 VZSABKYQYLORHR-JOCHJYFZSA-N 436.515 5.215 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 583710116 KDKICCZXGUHRJX-UHFFFAOYSA-N 428.536 5.133 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)N3CCC(c4nc(-c5ccccc5)cs4)CC3)CC2)c1 586776364 WLIXXPKGTJEHQF-UHFFFAOYSA-N 431.536 5.259 30 20 IKED N#C[C@@H](C(=O)c1oc2ccccc2c1CSc1ccc(F)cc1)c1nc2ccccc2o1 587988717 JCZLNQBRZURRSZ-SFHVURJKSA-N 442.471 6.495 30 20 IKED COc1cccc(C=C2CCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)CC2)c1 589365017 GRSMRFXBLTWORK-UHFFFAOYSA-N 440.503 5.465 30 20 IKED N#Cc1c(F)cccc1CN1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 589984702 HTRCVRKKMPKYBE-RUZDIDTESA-N 434.559 5.386 30 20 IKED Cc1cc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)c2cnn(Cc3cccs3)c2n1 603529787 IXWLNHXGBNOHFL-UHFFFAOYSA-N 429.549 5.024 30 20 IKED CCCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1OC 603622271 QHZUJVZMGBFWOQ-UHFFFAOYSA-N 437.883 5.449 30 20 IKED COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603673429 VYIAHRNXQBDDPY-NRFANRHFSA-N 442.906 5.442 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3cccs3)C[C@H]3CCCO3)cn2)c1 603692265 FINIPWKCPOXFEN-HXUWFJFHSA-N 434.521 5.020 30 20 IKED N#Cc1c(SCC(=O)Nc2ccc(OC(F)F)cc2)nc2c(c1-c1ccco1)CCC2 603818614 UDEXFUYNZMIJQK-UHFFFAOYSA-N 441.459 5.034 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H]3CCN(c4ccc(F)cc4)C3)cc2)cc1 604460616 IVTPDOKKKSHALE-LJQANCHMSA-N 430.483 5.138 30 20 IKED N#C[C@@H](C(=O)c1ncoc1-c1ccccc1Cl)c1nc2cc(C(F)(F)F)ccc2s1 608552850 GMRAERBUEVWZLL-LBPRGKRZSA-N 447.825 6.114 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1Oc1ccccc1 608797758 XFDUYELLEMUJRA-SFHVURJKSA-N 427.504 5.096 30 20 IKED COc1ccc(C[C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2ccccc2)cc1OC 608993926 BZAVHKKYTADHDA-QHCPKHFHSA-N 443.547 5.610 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCO[C@H](c3cccc(F)c3)C2)cc1 608995189 BGRKQUPYUZQXJY-VWLOTQADSA-N 445.494 5.076 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(Cn4cccn4)cc3)cc2Cl)c1 609062757 GCKUMFPDNOBWGE-UHFFFAOYSA-N 442.906 5.288 30 20 IKED Cc1ccc(NC(=O)[C@H]2CCc3ccccc3N2C(=O)c2cc3ccccc3n2CC#N)cc1 609216872 VDMJBCGUSFWVEE-RUZDIDTESA-N 448.526 5.074 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 609326711 OUZHATXWXMAUMR-UHFFFAOYSA-N 438.365 5.067 30 20 IKED Cc1c(C(=O)Nc2ccccc2S[C@H](C)CC#N)nnn1-c1ccc(OC(C)C)cc1 609427806 NBUSWBBKJRTLDF-MRXNPFEDSA-N 435.553 5.010 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(CNC(=O)c2cccs2)cc1 609428479 JXJNBPKTBOUPOK-MRXNPFEDSA-N 435.574 5.325 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1)O[C@@H](C)C2 609460828 WABQLAUEDRMZMP-GKASHWOUSA-N 445.346 5.200 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)N(C)S(=O)(=O)c3cccc(Cl)c3C#N)s2)cc1 610087107 OMBIZJBSWQXRPI-OAHLLOKOSA-N 445.997 5.334 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)cc1 610188972 FICGQNWXLPAAHV-CLOONOSVSA-N 425.532 5.080 30 20 IKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N[C@H](C)c1cccc(C#N)c1 610362096 KVOCRNNTUMWLPF-MRXNPFEDSA-N 425.488 5.386 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCc2c(F)cc(Br)cc2C1 610730517 LZTULAHGXIUKBH-ZDUSSCGKSA-N 448.361 5.430 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1sc(-c2ccccc2)nc1C(F)F 611186022 LLPPDZFDPKLZPR-ZDUSSCGKSA-N 429.517 6.394 30 20 IKED COc1cccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)NCC(C)(C)C#N)c1OC 611695346 QQFHTEBPNZTVKT-VKAVYKQESA-N 441.531 5.018 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)c1ccc2ccccc2n1 613291260 XJSTXMYBBCELID-IBGZPJMESA-N 438.874 5.824 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2nc3ccccc3s2)o1)c1nc2ccccc2n1C(F)F 613401969 VHORNVBJJXQAIP-GFCCVEGCSA-N 434.427 5.791 30 20 IKED CC1=NN(c2ccc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2)CC1 613403928 IFJULYKRKZLHTB-MRXNPFEDSA-N 428.439 5.391 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(Oc4ccc(F)cc4)cc3)ccc21 615815801 YKTSYLMULSYZBL-UHFFFAOYSA-N 443.478 5.453 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)o1 617370530 JCBFODAMCWZDMK-UHFFFAOYSA-N 448.906 5.119 30 20 IKED Cc1nn(-c2ccccc2)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cc12 642282517 ZLVMKPMWKXEMDD-MRXNPFEDSA-N 447.470 5.630 30 20 IKED C=CCn1c(Sc2ncnc3scc(-c4ccccc4)c23)nnc1-c1cccnc1 669623757 SJONUZHFEPWMPF-UHFFFAOYSA-N 428.546 5.349 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ncccc2F)n1)c1nc2cc(C(F)(F)F)ccc2s1 678171471 KSGHEKNVYKLAOZ-SNVBAGLBSA-N 448.426 5.463 30 20 IKED C=CCCC[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl 678894561 FRUZTFIITCOHCW-SBUREZEXSA-N 437.971 5.023 30 20 IKED O=C(CCCCC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1 681716792 OSNNYSYKYXPKTD-OKILXGFUSA-N 427.360 5.158 30 20 IKED C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 682079917 FEENESWQBCGTCS-DLOVCJGASA-N 437.302 5.062 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)NC[C@@H](C)c2ccc(C(F)(F)F)cc2)c1C(F)F 682396749 KSRAZDRTZVVSTF-SECBINFHSA-N 443.338 5.412 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 684800953 RGUXUJRHBYFJIP-MVIRXUPPSA-N 446.794 5.544 30 20 IKED Cn1c(C(F)F)nc2cc(C(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)ccc21 684891514 FKKNFFVBMOWENU-NXEZZACHSA-N 443.338 5.150 30 20 IKED CC(C)(C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1cccc(Br)c1 726731522 KSPVUXYBKCWCPA-CQSZACIVSA-N 433.758 5.866 30 20 IKED CC(C)[C@H](Sc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 727233990 CIIHIXCUGYSAMU-BTYIYWSLSA-N 428.529 6.081 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccccc2C)n1 727627138 LMCBENIKZXJWAV-OAHLLOKOSA-N 439.924 5.050 30 20 IKED COc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)CC3)cc1 727779974 DBPKETCOSIDRNA-WJDWOHSUSA-N 437.517 5.057 30 20 IKED Cn1c([C@H](C#N)C(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)nc2ccccc21 730072441 WOYAUCBVSHDYJC-HXOBKFHXSA-N 433.483 5.561 30 20 IKED COc1ccccc1C[C@H](C)CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 730694129 KXYWIIPFJGQUHZ-HOCLYGCPSA-N 426.488 5.542 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=S)Nc2ccc(SC(F)F)cc2)ccc1OC 733209173 PYIRKAHDJNHSPZ-HNNXBMFYSA-N 437.537 5.177 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(C)c(-c3ccc(F)cc3)s2)ccc1OC 733229941 JJVQYLWLPVGYIJ-LJQANCHMSA-N 438.524 5.482 30 20 IKED C#CCCOc1ccc(CNCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)cc1 733325341 FAEMNUHNNAAKBH-UHFFFAOYSA-N 427.470 5.200 30 20 IKED CCCOc1ccc(NC(=O)NCc2ccc(OC)c(O[C@H](C#N)CC)c2)cc1Cl 733625698 VSPABDRKQBGLNZ-KRWDZBQOSA-N 431.920 5.140 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(OCc3ccc(F)cc3)c2)c1 733843052 JOQCOKPHGOAUDY-QFIPXVFZSA-N 433.483 5.407 30 20 IKED CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 734212963 JXILINOIDMDFHO-UHFFFAOYSA-N 446.551 5.048 30 20 IKED CC(C)OC(=O)NCc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 735023383 FFRSOMNQKDMTCP-UHFFFAOYSA-N 429.476 5.237 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 739153355 ASFNXVWSZOUGLM-QRWLVFNGSA-N 430.470 5.356 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 739153358 ASFNXVWSZOUGLM-YWZLYKJASA-N 430.470 5.356 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)NC[C@@H](O)c3cc(Cl)cc(Cl)c3)c2)s1 740065192 ZXGVTROGGAWVFX-LJQANCHMSA-N 446.359 5.126 30 20 IKED CCc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)o1 740434266 CURSOTSUELLMSD-JWQCQUIFSA-N 427.548 6.647 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 743147120 PIYYOLZTWZIYAU-UONOGXRCSA-N 441.944 5.667 30 20 IKED COc1ccc2sc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c(C)c2c1 744033055 LPJAZLFMMRVUMX-MRXNPFEDSA-N 433.316 5.486 30 20 IKED N#C[C@@H](C(=O)CCc1nc2cc(Br)ccc2s1)c1nc2ccccc2o1 744039333 NRBLZUUDYYWONB-LBPRGKRZSA-N 426.295 5.009 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)OC(=O)c1sccc1C#N 744320324 PFXKBKGQVBTJJA-LLVKDONJSA-N 433.352 5.732 30 20 IKED Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1c(C)noc1C 745867699 HDBRUZPHADIARL-LJQANCHMSA-N 436.493 5.126 30 20 IKED COc1cc(C(=O)/C=C\c2cc([N+](=O)[O-])ccc2OC(F)F)ccc1SC(F)F 746345723 JMIHUUIAJSUQDJ-DJWKRKHSSA-N 431.363 5.416 30 20 IKED N#CC1CCN(CC(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)CC1 747088647 JWQUIIQELZAAEM-LWEKALPSSA-N 438.575 5.045 30 20 IKED C[C@H](CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)C(=O)c1cccc(F)c1 747105456 APASWLXAXRTRHV-ABAIWWIYSA-N 434.414 5.540 30 20 IKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)O[C@H](c1ccccn1)C(F)(F)F 747339988 RSYQTTWMJYXGHT-CQSZACIVSA-N 447.253 5.345 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnc(-c3ccccc3Cl)s2)cc1Cl 748004274 VOHRTEGAPILNIU-ZDUSSCGKSA-N 446.315 5.087 30 20 IKED Cc1cccc(C)c1OCc1nnc(S)n1N=Cc1cc(-c2ccccc2)ccc1O 749443387 FAKDZTXLWKBZSV-UHFFFAOYSA-N 430.533 5.017 30 20 IKED CC(=O)N(c1nc(COC(=O)c2ccc(C#N)s2)cs1)c1c(C)cc(C)cc1Cl 750394410 GAIROQJPFJUFPF-UHFFFAOYSA-N 445.953 5.388 30 20 IKED COc1cc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1OCc1ccccc1 752047011 FKXQJAZZFXVHSN-DNQXCXABSA-N 426.516 5.186 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](c2ccccc2)c2cccc(F)c2)ccc1OC 756029262 CKBABTAUCKLNEN-RDGATRHJSA-N 447.510 5.104 30 20 IKED COc1cc(F)c(C(=O)/C=C\c2cccc3c2N(C(=O)OC(C)(C)C)CC3)cc1OC 760268885 CTGSRUVJBFNKDM-KTKRTIGZSA-N 427.472 5.037 30 20 IKED C[C@H](NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(Br)ncc1F 762733874 JOMLSVHGCVRZIM-DJLDLDEBSA-N 437.197 5.543 30 20 IKED CC(C)c1nn(-c2ccc(Br)cc2)cc1CNCc1cc(C#N)ccc1F 763478106 KARLQHHOUPMBOF-UHFFFAOYSA-N 427.321 5.059 30 20 IKED C=C(Cl)COc1ccc([C@H](C)NC2CCN(C(=O)CCc3ccccc3)CC2)cc1 765382335 UKZVDQAMLJFMBP-FQEVSTJZSA-N 426.988 5.092 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)C[C@H](O)c2ccc(F)cc2)cc1 766009323 UCCXHGWHLALGAG-AOMKIAJQSA-N 449.482 5.132 30 20 IKED C[C@@H](C#N)Oc1ccccc1NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 779742429 IUQUJNIVBUYLLK-KKSFZXQISA-N 448.910 5.014 30 20 IKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccccc2)nc2ccc(C)cc12 780306730 YZYCIAHMNCHZHM-OAQYLSRUSA-N 435.483 5.180 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc(-c3ccccc3)nc3ccc(C)cc23)n1 780330882 HSUFJGNVFCTSLT-IBGZPJMESA-N 441.512 5.334 30 20 IKED N#CCc1ccc(CSC2=N/C(=C\c3ccccc3)C(=O)N2c2ccc(F)cc2)cc1 783893191 OFIASFQFCFRVFK-KQWNVCNZSA-N 427.504 5.569 30 20 IKED COc1ccccc1-c1ccc(C(=O)/C=C\c2ncc(I)s2)cc1 794703761 XIXBANZNWQUREG-KHPPLWFESA-N 447.297 5.319 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)n1 796747876 QWZDKFQDNMJMSZ-QGZVFWFLSA-N 425.554 5.444 30 20 IKED C=C(C)Cn1c(Cc2cccc3ccccc23)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 802581306 SWMFPSWVPZRCQQ-AREMUKBSSA-N 449.558 5.048 30 20 IKED CC(C)(CCC#N)CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccsc1 807940287 UIMOGPJFNCTRDT-SFHVURJKSA-N 440.594 5.038 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)s1 810711558 IYJJJPIZPBAVJI-UHFFFAOYSA-N 440.550 5.367 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1nc2ccccc2cc1Cl 811293367 NDMDKMZALKMMRK-AWEZNQCLSA-N 439.924 5.078 30 20 IKED N#C[C@@H](C(=O)COc1ccc2cc(Br)ccc2c1)c1cc(C(F)(F)F)ccn1 813219152 WYHFBQSULLFKGJ-QGZVFWFLSA-N 449.226 5.271 30 20 IKED N#Cc1cc(C(=O)O[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cnc1C(F)(F)F 815967798 NBHUHXVOZJGPCD-CYBMUJFWSA-N 442.237 5.451 30 20 IKED O=C1N/C(=N/C2CCCC2)S/C1=C/c1ccc(-c2ccccc2Br)s1 912778939 DIBBGJCHFSIJDR-GZTJUZNOSA-N 433.396 5.680 30 20 IKED CC1=CC(=O)[C@@H](C(=O)/C=C/c2ccc(Oc3cc(C)ccc3C(C)C)c([N+](=O)[O-])c2)C(=O)O1 916136919 FOMWUJQTQIYVAX-CCWPHWCFSA-N 449.459 5.047 30 20 IKED Cc1cc(C=Nn2c(S)nnc2[C@H]2CCCO2)c(C)n1-c1cccc(Cl)c1Cl 916367712 LPUUQOYILKNXOI-MRXNPFEDSA-N 436.368 5.015 30 20 IKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3)cc12 916900291 YESDAIUIXLZHLK-GOSISDBHSA-N 448.935 5.069 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCSc1ccc(Cl)cc1 916901774 PYBOPVMQQNKVMI-HNNXBMFYSA-N 437.348 5.140 30 20 IKED Cc1cccc(-c2nc(CC(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cs2)c1 916945487 WFAZTNKVSJBNAS-SFHVURJKSA-N 444.343 5.315 30 20 IKED C=CCn1c(CCN2CCCCC2)nn(CN2CCC[C@H]2c2ccccc2Cl)c1=S 917482706 KYEQBCAXQWIIMT-NRFANRHFSA-N 446.064 5.076 30 20 IKED N#CCOc1cccc(NC(=O)c2oc3ccccc3c2CSc2ccccc2Cl)c1 921146692 DAQUHAMVJVYIBB-UHFFFAOYSA-N 448.931 6.533 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)CCC1 1790275917 MFGJZJBBLVOFOL-JOCHJYFZSA-N 448.563 5.220 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3oc4ccccc4c3C)CCC2)cc1 1790567510 JLSYSXNWKKSEGG-SFHVURJKSA-N 447.535 5.290 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C4=CCCS4)CCC3)cc2)c1 1792122538 BVJWCWDTCVGDBK-QGZVFWFLSA-N 431.561 5.082 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCC4CCC4)CCC3)cc2)c1 1792123265 QLZQYWHRUFFEBA-LJQANCHMSA-N 429.564 5.642 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)C[C@H](C)c2ccccc2)[C@H]1c1cccnc1 1812733506 HBYBQYZBSIANAC-BBVWWWHTSA-N 447.623 5.274 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C(C)=C/c2cccs2)n[nH]1 1814409455 QHGNQDIPZNTXGD-QGUORLBXSA-N 438.597 5.335 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 1831373394 CUNOSMOLVLDLPN-UWJYYQICSA-N 436.518 5.151 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)cc2OC)CC1 1832533234 DTUIMZVGYHYQJL-JOCHJYFZSA-N 444.591 5.060 30 20 IKED CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1cccc(C)c1 10355268 NANNBSIBEOMRSH-XMMPIXPASA-N 438.556 5.215 30 20 IKED CCc1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2ccc(C(C)C)cc2)cc1 11262602 MBRROHOCVYIWKJ-UHFFFAOYSA-O 448.568 5.619 30 20 IKED C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)Nc1ccc(C#N)c(Cl)c1 18587321 SUOKIUNGVTXZTF-JTQLQIEISA-N 436.846 5.293 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1C1CC1 21140602 GTCSBAPUIBFHKK-QGZVFWFLSA-N 434.565 5.040 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)CC)nc2scc(-c3ccc(C)cc3)c2c1=O 21577982 KOIFXNXQYWVDDL-JKSUJKDBSA-N 441.622 5.015 30 20 IKED Cc1c(C#N)c(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)nc2c1CCC2 22121026 BNSIWDNHCVAGLC-UHFFFAOYSA-N 425.863 5.153 30 20 IKED Cc1ccc(C[C@H](C#N)Sc2nnc(COc3ccccc3F)n2-c2ccccc2)cc1 24839060 DCIMGHIYILVPJH-OAQYLSRUSA-N 444.535 5.521 30 20 IKED N#Cc1cc(NC(=O)N(Cc2ccccc2)Cc2ccco2)ccc1OCC(F)(F)F 58560401 FDEBHRZDARPPES-UHFFFAOYSA-N 429.398 5.327 30 20 IKED CC(=O)CCc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 58869790 CZKDKPWKSVPKGX-SFHVURJKSA-N 438.593 5.310 30 20 IKED C=CCn1c(SCCC(=O)Nc2ccccc2OCC)nnc1-c1cccc(Cl)c1 59794809 UPIMGAZTMRHJMZ-UHFFFAOYSA-N 442.972 5.304 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C 62905812 APNRWEQNZAGATF-UHFFFAOYSA-N 427.552 5.072 30 20 IKED O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1cccc(N2CCOC2=O)c1 72047174 XFDUFMVCQQPHJK-KPKJPENVSA-N 446.890 5.445 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 105560940 FDADCBHLEJDARF-UHFFFAOYSA-N 432.483 6.122 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2c(C)cccc2-c2nc(C(C)C)no2)cc1OC 110636890 YCUYWBZFADJYDD-ACCUITESSA-N 433.508 5.394 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3ccccc3)nc3onc(C)c23)cc1 111020778 XBTJYTYYZTXYKI-UHFFFAOYSA-N 426.476 5.157 30 20 IKED C=CCn1c(SCC(=O)N(CC)[C@H](C)c2ccc(F)cc2)nnc1-c1cccc(C)c1 195678442 PASHLPGWLJDYOE-GOSISDBHSA-N 438.572 5.280 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1Cl 302995422 YJLVTLDMDYTVCS-ISKFKSNPSA-N 446.934 5.806 30 20 IKED N#CCCSc1ccccc1NS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 303270894 HGUJJBCZSFRZNL-UHFFFAOYSA-N 436.505 5.023 30 20 IKED C[C@@H]1C(=O)Nc2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)ccc2N1C 426168107 OWGZFOZZAPCIEM-FOIQADDNSA-N 444.922 5.025 30 20 IKED C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)c1ccc(F)c(F)c1 427064198 JFHCBWLUOUJYKB-HSZRJFAPSA-N 447.441 5.001 30 20 IKED Cc1ccn2cc(-c3ccc(NC(=O)c4cnn(CCC#N)c4-c4ccccc4)cc3)nc2c1 428284366 YDAPACZDPNGMMZ-UHFFFAOYSA-N 446.514 5.339 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)N(CCC#N)CC1CC1 428906519 LOBRTMOLQSKQKF-UHFFFAOYSA-N 433.531 5.889 30 20 IKED CCCN(C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 429047833 LVMMSMZWDHPTID-GOSISDBHSA-N 426.948 5.200 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2nc(-c3c[nH]c4ncccc34)c(C)s2)c1C#N 431868496 GKYFMONBKSFQLM-UHFFFAOYSA-N 446.561 5.113 30 20 IKED C[C@@H](CN(C)Cc1cn(CCC#N)nc1-c1ccncc1)Oc1ccc(Cl)c(Cl)c1 434987973 WZAIKPHFZIEXJS-INIZCTEOSA-N 444.366 5.065 30 20 IKED C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 435099022 PTEIJFVYVNKELU-FQRUVTKNSA-N 425.532 5.742 30 20 IKED CCCc1c(NC(=O)Nc2cc(-c3nc(C)co3)ccc2C)cnn1-c1cccc(C#N)c1 439678286 NNHMUNFOCCJPBU-UHFFFAOYSA-N 440.507 5.612 30 20 IKED Cc1ccc([C@@H](Cn2ccnc2)NC(=O)Nc2ccccc2S[C@H](C)CC#N)c(C)c1 442203314 BUGXLOHPLIKACZ-DENIHFKCSA-N 433.581 5.457 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc(C2CCCC2)no1 443432969 YRFGSKXQQUULGR-UHFFFAOYSA-N 431.949 5.029 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N(CC(F)(F)F)[C@@H]2CCCOC2)c1 446212362 UOJYZZUBDQXZHA-QGZVFWFLSA-N 438.833 5.187 30 20 IKED Cc1ccccc1[C@H]1CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@@H](C)CO1 460401939 DZYZNDCSLXQHIJ-RXFWQSSRSA-N 426.516 5.048 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(CSC(C)C)c2C)cc1C 461015298 UIAVLEQQKCIBOD-UHFFFAOYSA-N 446.620 6.283 30 20 IKED Cc1cccc(Br)c1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 463595062 VQCMKPUXUCFHPH-UHFFFAOYSA-N 435.321 5.655 30 20 IKED CC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)cc1 464298581 SZRZVBUVNGWJKB-UHFFFAOYSA-N 439.393 5.580 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H]2CCO[C@@H]2c2ccccc2)cc1 466060746 BZSUNTRXKDWJIO-BKMJKUGQSA-N 441.531 5.231 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)nnc1-c1ccccc1F 466610094 ONQROONQMQEQMO-ZDUSSCGKSA-N 441.919 5.827 30 20 IKED COC[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(C(F)(F)F)c1 469051760 QLMJTEZZIYSBHS-HXUWFJFHSA-N 431.458 5.088 30 20 IKED CCC1(CC)CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC[S@@]1=O 469465209 RRXOVTHZDORBEJ-KEEVHDRGSA-N 444.000 5.150 30 20 IKED CC(C)(C)C1CCC(C#N)(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)CC1 470185445 KMHIRWKWRMBKCS-UHFFFAOYSA-N 445.607 5.307 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(Sc2ccccc2Cl)nn1 470528970 NQWAAVKKBIBMRQ-YLJYHZDGSA-N 434.952 5.193 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)N(c3ccccc3)[C@@H](C)c3ccc(Cl)cc3)CC2)o1 472938295 JUTIXACATNLLJR-KRWDZBQOSA-N 448.954 5.519 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 475579668 BYEHUMSQNPKNLF-HSZRJFAPSA-N 442.003 5.387 30 20 IKED N#Cc1ccc(CN[C@H](Cc2ccccn2)c2ccc(Br)cc2)c(Cl)c1 475740465 QTJVWELYFZBSMK-OAQYLSRUSA-N 426.745 5.443 30 20 IKED N#CC[C@@H](CC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1)c1ccccc1 476335743 LCENPCZQNWSXPK-NRFANRHFSA-N 437.465 5.717 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2ccco2)n1CC(=C)C 479829906 NXDOFLGEMWYCTM-UHFFFAOYSA-N 449.001 5.136 30 20 IKED CCCN(C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@@H]1CCCc2cccnc21 481282708 ZGLZEMAAMAUAIH-HXUWFJFHSA-N 434.931 5.114 30 20 IKED CCS[C@H]1CCCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 481379564 LRBNIJCITFQYRD-FQEVSTJZSA-N 427.545 5.416 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCc1nnc(-c2cccc(Cl)c2)o1 481380450 YPAFTMQRUPUNLL-UHFFFAOYSA-N 439.928 5.039 30 20 IKED Cc1ccc([C@@H](N[C@@H]2CCCCc3cc(C#N)ccc32)c2cccc(S(C)(=O)=O)c2)cc1 481657125 ZFNQSVRPWNTGAN-KAYWLYCHSA-N 444.600 5.417 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SC[C@@H](O)Cc1ccc2ccccc2c1 481731698 CXARMLFUFWZFKQ-NRFANRHFSA-N 449.551 5.031 30 20 IKED C[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(NC(=O)C2CC2)cc1 482434344 NXQKFFZQCOWISZ-QGZVFWFLSA-N 425.488 5.190 30 20 IKED CCc1c(NC(=O)c2ccc(COc3ccccc3C#N)o2)cnn1-c1ccccc1C 482697776 WIQXVTRNPYTCEC-UHFFFAOYSA-N 426.476 5.039 30 20 IKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nccc4ccccc34)cc(-c3ccccc3)nc21 483228962 NQAOKNJVJULJAO-QFIPXVFZSA-N 431.499 5.717 30 20 IKED Cc1ccc(C(=O)Nc2nc3c(cc2C#N)CCCC3)cc1NC(=O)Nc1ccccc1 484154364 BJCHSKMILYPUIL-UHFFFAOYSA-N 425.492 5.037 30 20 IKED C=CCN(CC1CCCCC1)C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 485304233 QIVOFPXIVSTXHO-UHFFFAOYSA-N 432.630 5.534 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1cccs1 489409772 UCRRPSDXXFIFDV-UHFFFAOYSA-N 446.601 5.514 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)cc1 489537183 MHDMHLBPBLIOKL-MOPGFXCFSA-N 432.549 5.292 30 20 IKED CC(C)(C#N)c1ccccc1CSc1nnc(COc2ccccc2)n1Cc1ccco1 489669644 DOKKHHCVWFORAT-UHFFFAOYSA-N 444.560 5.592 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2nnc(/C=C\c3ccco3)s2)cc1 490234279 AIWUSKGGWAJZAJ-QXMHVHEDSA-N 428.473 5.004 30 20 IKED N#Cc1ccccc1-c1ccc(CS(=O)(=O)Cc2ccc(F)c(Br)c2)cc1 494727134 KGJSETIDVOFFSM-UHFFFAOYSA-N 444.325 5.242 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)c1 498236336 HWWNDMCVSINKDJ-XMMPIXPASA-N 446.526 5.390 30 20 IKED C=CCn1c(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)nnc1-c1cccc(C)c1 501240990 NYQSIPLMFCGENK-JOCHJYFZSA-N 432.593 5.285 30 20 IKED COc1cc(C)ccc1Oc1ccc(NC(=O)Nc2cccc(OCCCC#N)c2)cn1 502272308 UGWHPPOMOIUFOZ-UHFFFAOYSA-N 432.480 5.518 30 20 IKED C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 503121106 MWGKIYYJEMPGTR-LJQANCHMSA-N 442.519 5.034 30 20 IKED N#C[C@@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1cccc(Cl)c1Cl 505349094 JTMBAPPWARAKRF-MRXNPFEDSA-N 434.710 5.615 30 20 IKED C[C@H](SCCCC1(C#N)CCOCC1)c1nc(O)c2c(-c3ccco3)csc2n1 507722734 KDUWBYDEIVRDSB-AWEZNQCLSA-N 429.567 5.552 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1Cl 510005503 NLTLTPJDJIAQNL-OAQYLSRUSA-N 449.898 5.137 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 510507662 JGMVIGXIFYNTMC-NRFANRHFSA-N 432.549 5.371 30 20 IKED CC(C)(NC(=O)NCc1cc(F)c(C(F)(F)F)cc1F)c1nc(C(F)(F)F)cs1 512873174 XDVRRTMHRXPCKF-UHFFFAOYSA-N 447.351 5.193 30 20 IKED Cc1ccccc1-c1cc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)c2cnn(C(C)C)c2n1 513677347 VGCMYACSFVJRTA-LJQANCHMSA-N 434.503 5.354 30 20 IKED C=CCn1c(SCc2nc(O)c3c4c(sc3n2)CCCC4)nnc1-c1cccc(C)c1 514244607 KZPGBVUUPBYWRN-UHFFFAOYSA-N 449.605 5.321 30 20 IKED CCCOc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1OCCC 515540168 HQDYAGXWQJFTME-MRXNPFEDSA-N 427.451 5.499 30 20 IKED Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 517860473 MEXINAXFOIJCMY-NRFANRHFSA-N 443.503 5.020 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccnn3Cc3ccc(Cl)c(F)c3)cc2)nc1 518894054 ZNKGGYQBMJHRJJ-UHFFFAOYSA-N 447.857 5.035 30 20 IKED N#CCSc1ccccc1NC(=O)CSc1nc2ccccc2n1-c1ccc(F)cc1 519113321 YEDHXZQWCMBVPH-UHFFFAOYSA-N 448.548 5.511 30 20 IKED N#C[C@H](C(=O)c1oc2ccccc2c1CSc1cccs1)c1nc2ccccc2o1 520905964 AIGLQCNJURCLFE-OAHLLOKOSA-N 430.510 6.418 30 20 IKED COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 521734601 RURNUCWYDWOWPY-HNNXBMFYSA-N 425.941 5.643 30 20 IKED C=CCN(C(=O)c1cc(C)c(OCc2cccnc2)c(C)c1)c1nc2c(s1)CCCC2 531304168 AMKFUXIEWBVEIQ-UHFFFAOYSA-N 433.577 5.446 30 20 IKED Cc1cccc([C@@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)n1 531719117 BBEGTUZOGCIRPE-VWLOTQADSA-N 426.520 5.404 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3ccc4cc(Br)ccc4c3)CC2)c1 533305520 MKWZWYLGYFARIX-UHFFFAOYSA-N 435.321 5.158 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1-c1ccccn1 534354419 ZCKNWBNVMDQMLE-LJQANCHMSA-N 445.931 6.024 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)cc1 540095399 GRLVSKGYMYULFJ-AZGAKELHSA-N 443.522 5.187 30 20 IKED O=C(Cc1cccnc1)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 542155888 XCBNRTUAYCOWBG-CQSZACIVSA-N 430.270 5.082 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 542952077 OXQUXAVMZISFHB-VQTJNVASSA-N 439.437 5.581 30 20 IKED C=CCc1cc(CN[C@H](c2ccc(Cl)cc2)C2C[C@@H]3CC[C@H](C2)N3C)cc(OC)c1O 549268707 NJCJWKFVSWYBAV-SKUKVZCNSA-N 441.015 5.486 30 20 IKED C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC(c2ncccc2Cl)CC1 549645028 JDZUGXDOZSPCFZ-UHFFFAOYSA-N 441.938 5.005 30 20 IKED N#Cc1cccc(-c2nnc(CN[C@H](c3cccc(C(F)(F)F)c3)C3CCCCC3)o2)c1 555066191 MIOZDACUVOLUHX-QFIPXVFZSA-N 440.469 6.038 30 20 IKED C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 558965852 ZLKQKXNVULJSRF-UHFFFAOYSA-N 449.643 5.048 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(CN4CCCCC4)cc3)n2)cc1 560523945 IEADTSSPHKFYIU-QFIPXVFZSA-N 426.545 5.158 30 20 IKED CN(C(=O)C1CCC(OC(F)F)CC1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 561778511 HRRIOJRHFBLHTO-UZANAETPSA-N 433.339 5.565 30 20 IKED CCOC(=O)C(C)(C)C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 563467808 HMVRQEOJMUITDE-UHFFFAOYSA-N 449.551 5.492 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3nc4ccccc4cc3Br)cn2)cc1 588877170 XRMHSFGVNHVKLL-UHFFFAOYSA-N 445.276 5.309 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)c1 589802510 KIRCOACYZUZSLA-HSZRJFAPSA-N 434.923 5.139 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCCc1nc(C(C)(C)C)no1 603618934 BHIQUNYNBKWEAD-UHFFFAOYSA-N 434.515 5.242 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 603831559 YPIXSMOABIMAGX-LJQANCHMSA-N 429.520 5.613 30 20 IKED Cc1ccc(SCc2cccc(C(=O)Nc3ncccc3OCCCC#N)c2)c(C)c1 608883601 PMTWZMBRTYTQEM-UHFFFAOYSA-N 431.561 5.926 30 20 IKED CCOc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1OCC 609110835 VLCYPAKMHBQJPO-UHFFFAOYSA-N 434.467 5.326 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NCC2CCN(Cc3ccccc3)CC2)cc1 609306645 GTEDLWIGQYVVGC-UHFFFAOYSA-N 443.522 5.132 30 20 IKED Cc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c(-c2nc3ccccc3[nH]2)c1 609502164 QKWJHCHQISSPFR-UHFFFAOYSA-N 448.482 5.834 30 20 IKED C[C@H](Oc1ccccc1NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 609683791 NORGTOMEVKDKPG-NRFANRHFSA-N 440.547 5.048 30 20 IKED C[C@@H](c1ccccc1)N1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 609711856 XORQIOPAVJJDBG-IBGZPJMESA-N 441.535 5.093 30 20 IKED C=CCOc1ccc(C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)cc1OC 609737875 CYCMXWUNQUBBOV-SSEXGKCCSA-N 427.566 5.094 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 609845453 QWRYLIBHLDJRLH-FXAWDEMLSA-N 447.564 5.890 30 20 IKED CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccccc1Sc1ccccc1C#N 609865703 AXNCBKLZNTZBKQ-MWTRTKDXSA-N 436.964 5.869 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(O)nc3cc(F)ccc23)cc1Cl 610040459 SQNVIPXQHWQKID-FQEVSTJZSA-N 431.854 5.641 30 20 IKED CC(C)(C#N)CCSc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1Cl 610285495 IISQRYJQAPSLQH-UHFFFAOYSA-N 436.972 5.351 30 20 IKED C[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1cccc(C#N)c1 610326361 YUIXBVYZNTYKIW-NSHDSACASA-N 431.336 5.401 30 20 IKED Fc1ccc(-c2cn3nc(N4C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C4)sc3n2)cc1 618438094 MXYYIVRIROZAGU-GHMZBOCLSA-N 438.372 5.164 30 20 IKED O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618556392 OBFPNCGVXHETPM-HLLBOEOZSA-N 440.403 5.829 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccccc1N1CCCC1 623650159 HZUKSMAVNKBWST-UHFFFAOYSA-N 446.364 5.086 30 20 IKED COc1ccc([C@@H](C)NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F 642663851 ATAILXWEBDXIGN-XEZLXBQYSA-N 430.364 5.104 30 20 IKED O=C(c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F)N1CCCC[C@H]1C(F)F 669678493 REWZUALZZPIHKY-NSHDSACASA-N 441.322 5.170 30 20 IKED C=CCn1c(-c2cc3ccccc3o2)nnc1N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 669818250 GQFAQXAHHCRJRZ-STQMWFEESA-N 430.352 5.054 30 20 IKED CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 670775941 GVNJDOFDQGBXKT-SNPRPXQTSA-N 449.357 5.863 30 20 IKED O=C(c1ccc(Cl)cc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 681133253 VURTWCLMCUSWIC-OCAPTIKFSA-N 427.694 5.562 30 20 IKED COc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1OC1CCCC1 726500746 KCRIVKWIZRVWBN-UHFFFAOYSA-N 432.476 5.313 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2cccc3c2OCCO3)cc1 727589065 GUBBGWREZCQPCH-ZEQRLZLVSA-N 439.515 5.482 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c1 728181599 RDKUHJRPDJSDEF-UHFFFAOYSA-N 448.494 5.829 30 20 IKED COc1ccc2oc(C(=O)/C=C/c3cc4ccccc4nc3N3CCOCC3)c(C)c2c1 729152016 ZLIHNYIFHMTUPR-VQHVLOKHSA-N 428.488 5.031 30 20 IKED CCCN(CC)C(=O)c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 729176321 JILFTOVEHLCDNA-RUZDIDTESA-N 425.532 5.466 30 20 IKED Cn1c(C(=O)Nc2ccccc2SCCC#N)ccc1-c1ccc(Br)cc1 730982866 XQWYAOQGYVKTEQ-UHFFFAOYSA-N 440.366 5.713 30 20 IKED C=CCn1c(-c2ccccc2F)nn(CN2CCC(OC3CCC(C)CC3)CC2)c1=S 731026650 LWOBYAQZNOJJTO-UHFFFAOYSA-N 444.620 5.423 30 20 IKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1cccnc1Cl 731040306 QYZPUZSHQXODHL-LLVKDONJSA-N 428.867 5.199 30 20 IKED N#CCOc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1 731156341 PJNFDHXTXYSXRY-UHFFFAOYSA-N 433.920 5.234 30 20 IKED Cc1csc(SCc2ccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cc2)n1 731196011 SZKISXRWOXXPFH-KRWDZBQOSA-N 448.400 6.045 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OC 733652255 ALOMCUZAOHIIHB-DHIUTWEWSA-N 449.595 5.720 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)ccc1OC 733653765 MBDMSFXGHAQSKT-QHCPKHFHSA-N 435.568 5.374 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)ccc1OC 733654521 SFJOQSPFWAIAPE-VQTJNVASSA-N 427.932 5.076 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(OCC#N)cc3)n2)o1 733753969 UDHIMWKZIUDJSX-UHFFFAOYSA-N 429.423 5.735 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ccccc2Sc2ccccc2)c1 733802913 RTYLYXVMSNEXSY-OAQYLSRUSA-N 431.561 5.518 30 20 IKED CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cc(Cl)ccc1OCC#N 735305703 COXZPIXOTKXQOE-UHFFFAOYSA-N 440.758 5.400 30 20 IKED COc1ccc(-c2nc(/C=C/C(=O)c3cnn(-c4ccc(C#N)cc4)c3C)cs2)cc1 741852076 JAUKRPPYPVRXFN-KPKJPENVSA-N 426.501 5.081 30 20 IKED Cc1ccc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc1NC(=O)OC(C)(C)C 742646401 NYWBFEWMJCBUOH-KRWDZBQOSA-N 434.323 5.644 30 20 IKED CC(C)c1ccc(-c2nc(C(=O)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)cs2)cc1 743734357 MDZSVNBIOOGXFS-UHFFFAOYSA-N 446.576 5.019 30 20 IKED N#Cc1ccc(NC(=O)c2ccccc2OCc2cn3ccccc3n2)cc1C(F)(F)F 744371118 LWOJUTJMWFTTMT-UHFFFAOYSA-N 436.393 5.056 30 20 IKED COc1ccc2cc([C@@H](C)OC(=O)CCC(=O)N(CCC#N)c3ccccc3)ccc2c1 745959357 QKXQWJBXSLCTFM-LJQANCHMSA-N 430.504 5.180 30 20 IKED COc1cc(C(C)=NNc2cc(C)c3ccc(C)c(C)c3n2)ccc1S(=O)(=O)C(F)F 747040514 CJTUGMGAXZXYCG-UHFFFAOYSA-N 447.507 5.001 30 20 IKED C[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1ccc(N2CCOC2=O)cc1 748297332 NMOCWONETJACHK-KRWDZBQOSA-N 443.528 5.157 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(Oc3ccccc3)nc2)cc1 749419897 FLNPWKINNQYBDX-RUZDIDTESA-N 434.499 5.851 30 20 IKED CC[C@H](C#N)Oc1cccc(CNCc2cnc(-c3ccc(Br)cc3)s2)c1 752079186 DUJRCZAHGPQKKY-GOSISDBHSA-N 442.382 5.543 30 20 IKED N#Cc1cccc(COc2cccc(/C=C/C(=O)c3cc4c(s3)SCC(=O)N4)c2)c1 758025028 INAVEUGYQBZILT-BQYQJAHWSA-N 432.526 5.139 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H]3C[C@@H](O)c3ccco3)c2)cc1 758576010 DOOPCGOWSNSIHK-LADGPHEKSA-N 445.519 5.045 30 20 IKED Cc1ccc(F)cc1NC(=O)C=NO[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 760437849 KILYYOPDLFJFQU-NSHDSACASA-N 437.258 5.193 30 20 IKED COc1ccc(/C=C(/Cl)c2nc3cc(C(F)(F)F)ccc3o2)cc1OCCCC#N 764431877 HUKAITBTEQKKDS-XNTDXEJSSA-N 436.817 6.275 30 20 IKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(Cc1ccc(O[C@@H](C)C#N)cc1)CC2 768180836 PRLUHSRPQSTZLQ-SSOJOUAXSA-N 434.561 5.204 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCCc2cccc(C(F)(F)F)c2)cc1Cl 770845311 AOJLGBBSNFUTLH-INIZCTEOSA-N 438.833 5.038 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1 771663714 NHWJOMOQVIDTAI-MRXNPFEDSA-N 425.554 5.467 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)O[C@H](C#N)Cc4ccc(F)cc4F)cc3)o2)cc1 774318535 VRMIMYYBRARRPJ-NRFANRHFSA-N 445.425 5.282 30 20 IKED C[C@H](N[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccc(C#N)cc1 775158608 UFBASRQLLMYGCZ-OYHNWAKOSA-N 434.883 5.150 30 20 IKED N#C[C@H]1C(CN[C@@H](CCc2ccccc2)c2ccccc2)=CC(=O)n2c1nc1ccccc12 775178182 DWPRGFZTNAQCJQ-ZEQRLZLVSA-N 432.527 5.187 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCCC(=O)c3ccc(F)cc3)n2)cc1 778613769 IKHJZRKGRBKAJN-HXUWFJFHSA-N 431.492 5.440 30 20 IKED CCOC(=O)Nc1ccc(NCc2csc(COc3ccc(Cl)cc3)n2)cc1C#N 779603056 CZYHFDTUDSDZOH-UHFFFAOYSA-N 442.928 5.428 30 20 IKED N#C[C@H]1C(CN2CC=C(c3ccc(Cl)c(Cl)c3)CC2)=CC(=O)n2c1nc1ccccc12 781350343 IXKRDBABKFYNOE-SFHVURJKSA-N 449.341 5.320 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cccc(OCC(F)(F)F)c3)n2)cc1 784498306 ILOJGCUXTNYHDF-SFHVURJKSA-N 441.434 5.042 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 789450299 NIZJEDZSCROUMZ-DEOSSOPVSA-N 426.988 6.169 30 20 IKED N#C[C@@H](C(=O)c1sc2cc(Br)ccc2c1Cl)c1cnc2ccccc2n1 792110367 ZJGQIPKISYSABU-GFCCVEGCSA-N 442.725 5.750 30 20 IKED N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 798216290 MBPVRFHGLNLXJY-JOCHJYFZSA-N 431.845 5.127 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)/C=C/c1ccccc1F 799920700 IXJLHZVEBUUDQB-DHZHZOJOSA-N 430.448 5.263 30 20 IKED N#CC1(CCCOC(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)CCOCC1 800188634 MQSVLHXEYKRMLX-UHFFFAOYSA-N 435.307 5.438 30 20 IKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)O[C@@H](C)C(=O)Nc1cccc(C#N)c1 800372567 VVACEHZYXVUESC-IBGZPJMESA-N 449.510 5.195 30 20 IKED CCOC(=O)[C@H]1C/C(=C/c2cccc3c2N(C(=O)OC(C)(C)C)CC3)C(=O)c2ccccc21 802707090 FASWBZROTGJFOB-ZHFOUCBBSA-N 447.531 5.301 30 20 IKED CN1[C@H]2CC[C@H]1CC([C@H](NC(=S)Nc1ccccc1C#N)c1ccc(Cl)cc1)C2 802721275 RVLCTLCCRNMESP-JAXLGGSGSA-N 425.001 5.112 30 20 IKED C[C@H](OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 803921656 GFDFDRCRTQITFG-NSHDSACASA-N 446.265 5.390 30 20 IKED CC[C@H](C#N)Oc1cc(CNc2cc(C(F)F)nc3ccc(Cl)cc23)ccc1OC 807974611 MXORLLUEXJJBSM-OAHLLOKOSA-N 431.870 6.127 30 20 IKED N#C[C@@H](C(=O)Cc1cscc1Br)c1nc(-c2ccc(Cl)cc2)cs1 815910828 JDGNCVFUPRRAED-ZDUSSCGKSA-N 437.771 5.706 30 20 IKED N#CCSc1ccccc1C(=O)NCC1(c2ccc(Br)cc2Cl)CC1 818304719 SSWJTDBUBJLZDM-UHFFFAOYSA-N 435.774 5.180 30 20 IKED COc1cc(-c2noc(-c3ccc(Oc4cccc(F)c4C#N)cc3)n2)cc(OC)c1OC 904675608 UDQVQDRILSQAHE-UHFFFAOYSA-N 447.422 5.232 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN(Cc2ccc(F)cc2)C2CCCCC2)c1=S 914567381 VKTMFOGNTXKHGE-UHFFFAOYSA-N 437.588 5.594 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1 915085561 NPCWFZNKYDYYCZ-NRFANRHFSA-N 444.491 5.262 30 20 IKED Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 916057231 LVOMVTWTKAIUNR-NRFANRHFSA-N 445.881 6.350 30 20 IKED COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccccc3Cl)cc2OC)o1 916135411 ZLXSFPUMHFLUDY-JXMROGBWSA-N 426.852 5.203 30 20 IKED CCN(c1ccccc1)S(=O)(=O)c1ccc(NN=Cc2c(Cl)cccc2Cl)nc1 916354085 FPYLRPFMDDDLAR-UHFFFAOYSA-N 449.363 5.050 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc(Cl)cc1 916883387 QLQMRIYUPJDPPX-KRWDZBQOSA-N 430.316 5.007 30 20 IKED C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916906146 CCPDEFQRZABIDA-WZONZLPQSA-N 440.499 5.082 30 20 IKED CCc1c(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)oc2ccccc12 917559067 DNRAMUOSOTWXLQ-KAMYIIQDSA-N 430.529 6.341 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(C3SCCS3)cc2)cc1 918629654 LWPLYRLAIPJTSI-UHFFFAOYSA-N 448.588 6.019 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(OCC2CCCCC2)cc1 920108697 JFQDJJSFFWPMTK-DEOSSOPVSA-N 432.564 5.732 30 20 IKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(C)c(C)c2)s1 920172957 LQEMJWWLFLTDNP-OXJNMPFZSA-N 441.622 5.035 30 20 IKED Cc1cccc2[nH]cc(C=Nn3c(C)nc4scc(-c5ccc(Cl)cc5)c4c3=O)c12 920362610 GBNBQWYOXADYKY-UHFFFAOYSA-N 432.936 5.759 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(SC)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F 921260963 HCPQELKCDJYXPL-YVMONPNESA-N 427.400 5.163 30 20 IKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)CCCCC)[C@@H]1c1cccnc1 1803088670 FMFBIDLWHXDAII-NKKJXINNSA-N 425.617 5.072 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2OCC)n[nH]1 1820453286 JCQJLXJWFXFVAF-HXUWFJFHSA-N 438.572 5.107 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CC[C@H](CC)CC2)n[nH]1 1822225051 XYAWLZRSONJDIY-BPBCIEFSSA-N 426.605 5.387 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccccc2F)CC1 1828830035 PPYAISZPNGHBKJ-UKILVPOCSA-N 440.603 5.146 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 1828831105 ZNGKLONUYBTWJT-SSUZURRFSA-N 434.624 5.178 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2sc3ccccc3c2Cl)C1 1843710158 AHLZAKQGRZVXIM-MRXNPFEDSA-N 428.985 5.140 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(C(C)C)cc2)cc1 11264003 GRTGBOZYFFMJHZ-UHFFFAOYSA-O 445.652 6.718 30 20 IKED Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 32289321 YKIWYDQMHNYHMU-UHFFFAOYSA-N 440.478 5.331 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cccc(NC(=O)c4cccnc4)c3)c2)c1 32291325 YJZHDBYZBQVWOI-UHFFFAOYSA-N 448.482 5.037 30 20 IKED COc1ccc([C@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)cc1OCCCC#N 64613157 SKDYXYDULFDKQF-SANMLTNESA-N 441.531 5.187 30 20 IKED COC(=O)c1cc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)cc1F 139060425 GYOPORZNNPRPAP-UHFFFAOYSA-N 427.247 5.041 30 20 IKED N#CCSc1ccccc1NC(=O)CN[C@@H](c1ccccc1)c1cccc2ccccc12 261441901 ISJIQFLVOJHDLS-MHZLTWQESA-N 437.568 5.773 30 20 IKED CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 303173626 JQCSJLTWYGEUIR-UHFFFAOYSA-N 443.616 5.574 30 20 IKED CC(C)Oc1ccc(CC[C@@H](C)NC(=O)c2occc2COc2cccc(C#N)c2)cc1 303209161 ZUEGIOXBSGAUEH-LJQANCHMSA-N 432.520 5.269 30 20 IKED C[C@@H](NC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1nc(C(F)(F)F)cs1 426239618 STBPJJWVLBMAPM-LDYMZIIASA-N 429.361 5.355 30 20 IKED CC(C)N1C(=O)N([C@H](CCC#N)c2ccccc2)C(=O)[C@@H]1c1ccc(Br)cc1 432389781 WXSJOIXKUUEIEM-UXHICEINSA-N 440.341 5.208 30 20 IKED Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)N[C@H](CCCC#N)c1ccccc1 432764744 JQCVBZYATPIJCH-HYBUGGRVSA-N 432.568 5.566 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 432861553 WRTSDCOGEMZHST-INIZCTEOSA-N 425.529 5.204 30 20 IKED CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 433838156 XFJOGHCDYIRAHK-XMMPIXPASA-N 436.531 5.270 30 20 IKED CCOc1cccc(CCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 433916526 ZKKFDSSJYIATFP-UHFFFAOYSA-N 429.520 5.095 30 20 IKED N#CC(CCSc1nnc(C2CC2)n1Cc1ccco1)(c1ccccc1)c1ccccc1 434641913 APDFCVDECGOHEO-UHFFFAOYSA-N 440.572 5.789 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 436333869 KIELPLJFQCSEGS-ZVZYQTTQSA-N 433.499 6.167 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CCCc2ccc3nc(O)[nH]c3c2)cc1F 437475050 PBWCCCMAAUPHMD-UHFFFAOYSA-N 430.439 5.033 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 438038200 ABUVYUHYGGNBCC-CBGDNZLLSA-N 428.627 5.347 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)N1CCC(C(F)(F)F)CC1 438304462 MCJHVWWZIPTJOR-UHFFFAOYSA-N 438.290 5.453 30 20 IKED N#Cc1ccc(NC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc1C(F)(F)F 438633386 GDASJZDWCXYZRJ-UHFFFAOYSA-N 430.430 5.027 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2cnn(Cc3ccccc3)c2)cc1F 438663165 GNYIWUSPGXMTAS-UHFFFAOYSA-N 441.466 5.056 30 20 IKED CSc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 440159975 NLVGUYDRGUMCEE-HNNXBMFYSA-N 449.507 5.027 30 20 IKED C[C@H]1CCN(CC(=O)Nc2ccccc2SCC#N)[C@H]1c1ccc(C(F)(F)F)cc1 441272220 TWNCHBFRQARJPO-YCRPNKLZSA-N 433.499 5.343 30 20 IKED COc1cc(C(C)=O)ccc1SCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 441935294 VFPMENMGQDPNMZ-ZDUSSCGKSA-N 428.579 5.077 30 20 IKED C[C@@H](Nc1ccc(-c2sc(CC(N)=O)cc2Br)cc1)c1cccc(C#N)c1 442781191 HWYLALOBRXEBJC-CYBMUJFWSA-N 440.366 5.250 30 20 IKED N#Cc1ccc(SCC(=O)N(CC(F)(F)F)c2ccc(Br)cc2)cc1 443896331 HREDBOUHJJCSIB-UHFFFAOYSA-N 429.261 5.008 30 20 IKED CC(C)c1nccn1Cc1cccc(NC(=O)c2cn(CCCC#N)c3ccccc23)c1 444033868 NSCRRXFQHRSJMR-UHFFFAOYSA-N 425.536 5.566 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(CO)(Cc4ccccc4)CC3)cc2)cc1 445242601 UJZRMWULHVAVNP-UHFFFAOYSA-N 441.531 5.200 30 20 IKED Cc1ccccc1[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCO1 461845940 VVGRDTMIXASTPO-VWNXMTODSA-N 427.552 5.036 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(-c2ccccc2C(F)(F)F)on1 462194362 SKMOFKCXVLBYAS-FXAWDEMLSA-N 425.410 5.272 30 20 IKED C[C@@H](c1cccc(C#N)c1)c1nc(-c2ccc(C(F)(F)F)nc2OCC(F)(F)F)no1 463058897 WEYZEHUZYVHDSZ-JTQLQIEISA-N 442.319 5.115 30 20 IKED N#C[C@H](C(=O)c1ccccc1OCCOc1ccccc1)c1cc(C(F)(F)F)ccn1 464412327 RNAIXCCINLKVLZ-IBGZPJMESA-N 426.394 5.048 30 20 IKED C[C@H](NC(=O)Nc1ncccc1OCCCC#N)c1ccc(-c2cccc(C#N)c2)cc1 466619792 RCRAAFMAGKXNEQ-SFHVURJKSA-N 425.492 5.186 30 20 IKED CC(C)c1nnc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)s1 467903425 FHVLGZXDVIWSRJ-UHFFFAOYSA-N 427.917 5.301 30 20 IKED CCCOc1c(Cl)cc(CNc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1OC 468790864 BWLQOYMJESMRCJ-UHFFFAOYSA-N 441.959 5.332 30 20 IKED Cc1coc(-c2ccc(C)c(NC(=O)c3ccccc3Sc3ccccc3C#N)c2)n1 470092092 FADIEVZVRPIOJY-UHFFFAOYSA-N 425.513 6.234 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CNc2cccc(C(=O)Nc3ccccc3)c2C)c1C 470557244 VVZLCUCDMOZADM-UHFFFAOYSA-N 440.547 5.223 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1-n1cccn1 470761035 ULCCNWBFKIHSQJ-LJQANCHMSA-N 438.556 5.527 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1nnc(C2CCCC2)o1 471274665 XQOHWYZTTJBVJO-UHFFFAOYSA-N 438.475 5.323 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2csc(-c3ccco3)n2)cc1Cl 478228858 FYYUXWGLXICMMW-IBGZPJMESA-N 448.935 6.034 30 20 IKED C=C(C)Cn1c(SCC(=O)N2CCCCC[C@H]2c2ccccc2)nnc1-c1ccco1 480474816 FBUBNDRGTKQHHZ-FQEVSTJZSA-N 436.581 5.350 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)c1 481931745 KNXGCJXAJJFYGF-UHFFFAOYSA-N 431.880 5.324 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3C[C@H](c4ccccc4)[C@@H]4CCC[C@@H]43)ccc21 482276467 ZRHZDPLKPJWXNL-ARNLJNQMSA-N 442.563 5.070 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccccc1)N[C@@H](c1cccc(F)c1F)C(F)(F)F 482457635 TWRXUFXNELVZHG-ZFWWWQNUSA-N 426.307 5.561 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)c1cnc2ccccc2n1 483199612 NZFDXFKVMADSAU-GFCCVEGCSA-N 425.300 5.550 30 20 IKED CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(C)c1 483412024 MFYWZEYNBBEFAB-SFHVURJKSA-N 427.504 5.440 30 20 IKED Cc1onc(-c2cccc(Cl)c2)c1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 483486606 PPTXDTGEOOXPLN-CQSZACIVSA-N 426.810 5.538 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(F)cc(Br)c3F)o2)cc1 489366511 KGRMPGSVWXFSCF-UHFFFAOYSA-N 433.208 5.023 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCC(=O)c1ccc(Br)cc1 499528653 JUAGANYPSZWUJB-RTWAWAEBSA-N 439.353 5.100 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3cc(Cl)ccc3-c3nc(C4CC4)no3)CC2)cc1 503469705 KNRZISODUZYECY-UHFFFAOYSA-N 445.910 5.460 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)nc(O)n4C3CCCC3)n2)cc1 503500488 BFPKZKSYTPEQJN-IBGZPJMESA-N 442.544 5.779 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Cc3csc(-c4ccc(Cl)s4)n3)CC2)cc1 503869222 DWHXULILNIKJRK-UHFFFAOYSA-N 425.966 5.255 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)CSc1nnc(-c2ccccc2)n1[C@H](C)CC 504280765 KSVCXECBZPHIGC-LJQANCHMSA-N 447.608 5.319 30 20 IKED C=CCOc1ccc(C(=O)Nc2cc(Cl)cc(Br)c2OCC)cc1OC 504762202 LGQLJMQAFLUGFB-UHFFFAOYSA-N 440.721 5.327 30 20 IKED CC[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(F)c1)c1nc(C(F)(F)F)cs1 504906881 BSGVIEZTHJBYEG-JTQLQIEISA-N 445.360 5.515 30 20 IKED N#C[C@H](NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1c(Cl)cccc1Cl 505540602 PWHMSZWZRHOTAG-HNNXBMFYSA-N 441.274 5.103 30 20 IKED CC[C@H](C)n1c(SCC(=O)N[C@H](C#N)c2ccccc2Cl)nnc1-c1ccccc1 505638937 OZBGLDYYLUAXDM-HNAYVOBHSA-N 439.972 5.043 30 20 IKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)N[C@@H](C#N)c2ccccc2Cl)cc1 505639974 RDCOZPXEJFOGHE-NRFANRHFSA-N 449.963 5.374 30 20 IKED C[S@](=O)c1ccc(NC(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1F 506676570 KYARAGJHVRRBTM-MMEWPQADSA-N 442.356 5.007 30 20 IKED COc1cccc([C@@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 510025059 YATQDPMDNMFSRA-NOZRDPDXSA-N 445.950 6.373 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cc1 511336846 AIHZLEKBMPNCCL-XMMPIXPASA-N 443.522 5.710 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(F)cc2Br)c1 512838785 PBFDMLIDQHSRGJ-UHFFFAOYSA-N 425.257 5.291 30 20 IKED Cc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C2CC2)cc1 517830677 YKOXHVRKNMWAHL-VWLOTQADSA-N 439.515 5.173 30 20 IKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 518207799 VWERIKUHJJEAHK-HSZRJFAPSA-N 429.495 5.370 30 20 IKED Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c(C)c1 518536483 ZEUJXPFMZVTUMH-UHFFFAOYSA-N 445.494 5.126 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1 519432816 AZKDMTCODZVOOR-GAJHUEQPSA-N 436.964 6.351 30 20 IKED C[C@H]1CCCCN1Cc1ccc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 524566495 VHWPLEFFYBLJSN-UXHICEINSA-N 436.625 5.634 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2SCCC#N)cc1NC(=O)Nc1ccccc1 524963301 FUDUAGSPOVTEDE-UHFFFAOYSA-N 430.533 5.897 30 20 IKED COc1ccc(Sc2ccc(NC(=O)Nc3cc(C)n(CCC#N)n3)cc2Cl)cc1 525842151 UEWOGTXHDFOMRH-UHFFFAOYSA-N 441.944 5.562 30 20 IKED Cc1cc(C)cc(Oc2ccc(NC(=O)C3CCN(c4oc(C)nc4C#N)CC3)cc2)c1 527236645 XTZIUQRDEBQMIT-UHFFFAOYSA-N 430.508 5.119 30 20 IKED Cc1nc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3Cl)n2)sc1SCC#N 540655723 GATYWRCPVPREIA-UHFFFAOYSA-N 438.365 5.120 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 541093367 ALMODKNMEIPRNH-HNAYVOBHSA-N 449.498 5.563 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccc(Cl)cc1)c1ccn(C)n1 546577255 GAMMXYVZTFZRCM-QVKFZJNVSA-N 439.972 5.379 30 20 IKED Cc1ccc(Cc2ccccn2)cc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 554839671 LCRHRPFGPVGACP-UHFFFAOYSA-N 449.579 6.397 30 20 IKED Cc1cccc(C)c1Oc1ccccc1NC(=O)C(=O)N[C@H](CCCC#N)c1ccccc1 560283644 VCNQGWZLIIUKNO-JOCHJYFZSA-N 441.531 5.586 30 20 IKED CCSc1cccc(Br)c1NCC(=O)Nc1ccccc1SCC#N 564559873 SVAOIOKGGZNWDE-UHFFFAOYSA-N 436.400 5.227 30 20 IKED FC(F)(F)COc1ccc(CN[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cn1 570301624 BERPGJJFOSUCPU-CQSZACIVSA-N 432.286 5.435 30 20 IKED COc1ccccc1CC1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 574124212 QSJWNSQKLMHWSR-UHFFFAOYSA-N 442.519 5.241 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 578471264 OKDFFQLUSCIZIC-SDHOMARFSA-N 444.579 5.450 30 20 IKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 603521288 NDRJWYHPDVQXAT-SFHVURJKSA-N 429.545 5.089 30 20 IKED N#C[C@@H](C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)ccc2s1 603613778 SDPDURYRQBYFPN-NSHDSACASA-N 425.775 5.367 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OCc4cccnc4)cc3)n2)cc1 603627373 ARINHJSCHVNGBA-JOCHJYFZSA-N 436.496 5.146 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccc3c(c2)OCO3)cc1Cl 603748808 YMCOJXPRDFUGMI-HXUWFJFHSA-N 433.895 5.088 30 20 IKED COc1nc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc2ccccc12 604005410 CJCHTAMIROHQAK-CQSZACIVSA-N 427.407 5.362 30 20 IKED C[C@H]1CCCN(Cc2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2)C1 608804513 MNTHGEBEPUPCEF-IBGZPJMESA-N 429.520 5.214 30 20 IKED Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2ccccc2)cc1 609228449 VAOIMJNJNWTKTQ-DEOSSOPVSA-N 425.532 5.296 30 20 IKED C[C@H]1CCCCN1Cc1ccccc1CNC(=O)Nc1ccccc1SC[C@H](C)C#N 609401839 BONYZBVHDIVFJM-UXHICEINSA-N 436.625 5.634 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1c1cccc(Br)c1 609435121 QSLNVBCJKJYDDI-HNAYVOBHSA-N 444.398 6.212 30 20 IKED N#CC1(C(=O)NC[C@H](c2ccccc2)c2c(-c3ccccc3)[nH]c3ccccc23)CCOCC1 609449422 CANGRAUZLVPJFS-XMMPIXPASA-N 449.554 5.403 30 20 IKED CCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 609521445 GLQKNNUUVHUNOJ-RDPSFJRHSA-N 440.547 5.043 30 20 IKED Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cccc(COc4ccc(C#N)cc4)c3)[nH]c2c1 609643607 NISUWYUIOHHWIZ-VWLOTQADSA-N 436.515 5.299 30 20 IKED COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1 611308616 QWFKZVGAPJSIRH-QGZVFWFLSA-N 440.927 5.055 30 20 IKED O=C(NCC1(c2ccc(F)cc2)CC1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 612805368 HUFKBQSIOTWULH-STQMWFEESA-N 426.376 5.066 30 20 IKED N#C[C@H](C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1nc(-c2ccccc2)cs1 613391825 CYUVLQYUXRHKSM-QGZVFWFLSA-N 446.482 5.253 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1NC(=O)c1ccccc1 613407468 UJWJWIWQQZSTEU-GOSISDBHSA-N 445.931 6.001 30 20 IKED O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618539166 HXKNAKPQPBKXJP-YUMQZZPRSA-N 442.709 5.953 30 20 IKED O=C(Nc1cccc(OCC(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618541920 MNUSGHOQIGFZAW-AOOOYVTPSA-N 438.290 5.222 30 20 IKED COc1cccc(/C=C(\CC(=O)N2CCC[C@](C)(C#N)C2)c2nc3ccccc3s2)c1 618861964 NIAIWHJPCYUXJV-ALWYCYHKSA-N 431.561 5.388 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2N1C(=O)[C@@H](c2ccc(Cl)cc2Cl)N(C2CC2)C1=O 619465330 PKSCPIQZCVAYPT-WOJBJXKFSA-N 426.303 5.020 30 20 IKED C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccccc1 619818687 JSQSEXYBKZDRBG-HOYKHHGWSA-N 435.959 5.250 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2cccc(C)c2C)C(C)C)nc2sccc2c1=O 639394737 PUDLPSSNUXTGGK-SFHVURJKSA-N 427.595 5.016 30 20 IKED C=CCn1c(SCC(=O)Nc2nc(C(C)C)cs2)nnc1-c1ccc(Cl)cc1 642012583 AYTAYQLVEXWBFE-UHFFFAOYSA-N 433.990 5.095 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@@H](C)CCC)nnc1-c1ccc(Cl)cc1Cl 642313517 LDGLDUOVLPMTAL-ZDUSSCGKSA-N 427.401 5.177 30 20 IKED C=CCN(Cc1cccs1)C(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 680520375 MIBCVLPJIMQVMV-MRXNPFEDSA-N 447.320 5.902 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc(Br)cnc3Cl)cc2)cc1 725892394 RMDGFZULCHQMLG-UHFFFAOYSA-N 428.673 5.414 30 20 IKED COc1cccc2cc(/C=C3\SC(=S)N(c4ccc(C#N)c(Cl)c4)C3=O)oc12 726627752 UYPJUUJKKRCWRI-MFOYZWKCSA-N 426.906 5.372 30 20 IKED COc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2cnc(-c4ccccc4)nc2)CC3)cc1 727780168 IOQNMKRFIKZRCQ-CPNJWEJPSA-N 425.513 5.488 30 20 IKED CC[C@H](C)c1ccc([C@H](NC(=O)NCc2ccc(OCC#N)cc2)c2cccs2)cc1 727844740 JSEMAUSZDGVGGY-UUOWRZLLSA-N 433.577 5.753 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1cccc(OCC#N)c1)C(=O)c1ccccc1 730151018 HESVHWSAFPOHPP-PLRJNAJWSA-N 438.527 5.619 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(c2ccccc2Cl)C(=S)N[C@@H]1c1cscn1 731430146 IJHBSJYYHYGVOU-LJQANCHMSA-N 443.956 5.372 30 20 IKED Cc1cc(-c2csc(=Nc3ccccc3C#N)n2[C@@H]2CCC[C@H](C(=O)N(C)C)C2)c(C)[nH]1 734091713 BZDPIPBRADUJJY-AZUAARDMSA-N 447.608 5.085 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2cccs2)C(=O)N[C@@H]1c1sc(C)nc1C 736537847 IKYWBBCWMCZHCP-IBGZPJMESA-N 441.553 5.227 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)C[C@H](C)c2cccc(C(F)(F)F)c2)cc1Cl 739153820 FITJIUMNUXQNSB-BLLLJJGKSA-N 438.833 5.209 30 20 IKED COc1ccc(-c2nc(S[C@@H](C)c3ncc(-c4ccccc4)o3)nc(O)c2C#N)cc1 741167350 WGSPEDRTZACRSD-AWEZNQCLSA-N 430.489 5.238 30 20 IKED O=C(/C=C/c1ccc(-c2ccccc2F)s1)c1ccc(S(=O)(=O)CC(F)F)cc1 741851967 GXNGTQFFZVEUJZ-YRNVUSSQSA-N 436.476 5.489 30 20 IKED C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1nc(-c2ccc(Cl)cc2)no1 743151918 IBYNEXBNIIWAQG-KGLIPLIRSA-N 441.944 5.524 30 20 IKED COc1ccc(-c2ncc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)s2)cc1 744031384 VPFFXAIZXQQHEG-CQSZACIVSA-N 446.315 5.087 30 20 IKED Cc1ccc(N2CCOC2=O)cc1NC(=O)c1ccccc1Sc1ccccc1C#N 744382601 UVKQIEYTUYWZBA-UHFFFAOYSA-N 429.501 5.227 30 20 IKED N#CCSc1ccccc1C(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1 746298920 DQHOUDMLNNALEZ-UHFFFAOYSA-N 428.439 5.712 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 752614701 GCFXVIGTJDUZND-JXFKEZNVSA-N 425.554 5.143 30 20 IKED COc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2cnc(-c4ccccn4)s2)CC3)cc1 753144633 OQWSPMBUWIZPKP-QINSGFPZSA-N 431.542 5.550 30 20 IKED N#Cc1cc(NC(=O)C2(c3cccc(Cl)c3)CCCCC2)ccc1N1CCC(O)CC1 754960906 YQSIYMMJVFJAPI-UHFFFAOYSA-N 437.971 5.013 30 20 IKED COC(=O)c1cccc(CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)c1C#N 755835788 WEMBXTHWUXMJGC-UHFFFAOYSA-N 433.967 5.267 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CC[C@@H]3CCCN3C(=O)OC(C)(C)C)n2)cc1 759214087 YAXRHMKFPQKZIK-OALUTQOASA-N 439.581 5.475 30 20 IKED C#CCOc1ccccc1-c1noc(CSc2nnc(-c3ccc4ccccc4c3)o2)n1 761993669 ULXXATIKLUVEEF-UHFFFAOYSA-N 440.484 5.244 30 20 IKED C#Cc1ccc(-c2nc(-c3cccnc3Oc3ccc(C)cc3Br)no2)cn1 762347228 DKZVFVJILBMPLK-UHFFFAOYSA-N 433.265 5.038 30 20 IKED C[C@](O)(CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1Cl 765756987 OGXHSMQEWUHVQX-DEOSSOPVSA-N 436.964 5.141 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(F)cc1C(F)(F)F 768094259 FNVRYBHNNWKQFW-LBPRGKRZSA-N 440.418 5.034 30 20 IKED C[C@H](N[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21)c1cccc(C#N)c1 769691486 OCLYLUFWJSENND-DOPYIHRPSA-N 433.552 5.112 30 20 IKED Cc1cc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c(C)n1[C@H](C)c1ccccc1 778446757 HHKCQGFEZRARAP-JOCHJYFZSA-N 440.591 5.002 30 20 IKED COc1cc(C=NOCc2ccc(Br)c3cccnc23)cc(Cl)c1OC 784045920 BLBJEDHFRWZKET-UHFFFAOYSA-N 435.705 5.219 30 20 IKED N#CCCn1cc(CNc2ccc(CC[C@H](O)c3ccccc3)cc2)c(-c2ccncc2)n1 788524950 YATPFEUMAXUZQQ-SANMLTNESA-N 437.547 5.137 30 20 IKED C=CC[C@H](OC(=O)C1CCN(c2oc(C)nc2C#N)CC1)c1ccc(Cl)c(Cl)c1 791054112 NOLLGIOVFJLHJQ-IBGZPJMESA-N 434.323 5.239 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1nc(Br)ccc1F 791579288 PQWBVBOYINMQHX-UHFFFAOYSA-N 448.239 5.260 30 20 IKED C[C@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 795252394 OUWAMWGILHOYKO-BEFAXECRSA-N 427.932 5.095 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)C[C@@H](CC#N)c2ccccc2)cs1 795981178 LWQWLOYOTFNHAE-OAQYLSRUSA-N 447.560 5.575 30 20 IKED CN(CC(=O)[C@@H](C#N)c1nc(O)c2ccccc2n1)[C@H](c1ccc(Cl)cc1)C1CCCC1 799174248 KUVMUMKNFFAAPJ-OFNKIYASSA-N 448.954 5.028 30 20 IKED N#CC1(CCCOC(=O)c2c(Cl)cccc2Oc2ccccc2Cl)CCOCC1 800174477 AAYMKBRGBHUGKY-UHFFFAOYSA-N 434.319 6.043 30 20 IKED Cc1ccc(N(CCC#N)C(=O)COC(=O)c2oc3ccccc3c2COC(C)C)cc1C 800670983 POKLUJQTMCSVNQ-UHFFFAOYSA-N 448.519 5.078 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNc2ccc(-c3ccc(Br)s3)nn2)c1 804457951 GGQHMBWGVBJELP-AWEZNQCLSA-N 429.343 5.261 30 20 IKED Cc1ccccc1[C@@H](O)C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 806206982 JXCIBPJIEAPEHH-VWLOTQADSA-N 442.519 5.032 30 20 IKED C#CCN(Cc1ccccc1)C(=O)NCc1cccnc1Oc1ccccc1OCCC 806464345 FWVAZIKPZFMMSL-UHFFFAOYSA-N 429.520 5.008 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)cc(OC)c1OC 811394340 BHJVTYLMGQPOGA-UHFFFAOYSA-N 446.551 5.060 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2C[C@@H](c3ccccc3)OC2=O)cc1Cl 813409701 JKKUEOOUDSKYBH-XJUOHMSHSA-N 430.891 5.238 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C 836472361 CAVVSVFNZZKYOR-UHFFFAOYSA-N 446.894 5.087 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1cccs1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103304 SNCCDRLKHNTULE-CYBMUJFWSA-N 435.357 6.018 30 20 IKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C/C(=O)c1ccc(OCC#N)cc1 916151810 DUXXWPRJWVBXEQ-MDZDMXLPSA-N 445.828 5.651 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(-c2nc3ccccc3s2)s1 916881069 LNRCRCFFCQSECP-CQSZACIVSA-N 437.933 5.639 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(OCc2ccccc2)cc1 916928764 SYCSRBMJDNKAQS-IBGZPJMESA-N 439.298 5.534 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)cc1 916955412 QRJIZWPGXLMASY-DYESRHJHSA-N 445.567 5.610 30 20 IKED Cc1cccc(N2C[C@H](C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)c1C 916976919 WXLYGESWMNLNRW-MJGOQNOKSA-N 449.963 5.310 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1ccc2ccccc2c1)c1nc(-c2ccc(Cl)cc2)cs1 916977116 KBCSQXHZQXEDII-NRFANRHFSA-N 444.943 6.456 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cccc3ccccc23)cs1 917557944 JKBKHTAZMBGMCI-KAMYIIQDSA-N 432.932 6.530 30 20 IKED N#Cc1cccc(COc2cccc(NCC(=O)Nc3ccc(SC(F)F)cc3)c2)c1 917810972 LLFALIPROQAPPP-UHFFFAOYSA-N 439.487 5.503 30 20 IKED COc1ccc2c(c1)CCC[C@@H]2CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920140810 BSGOEBJZZRFMHQ-DENIHFKCSA-N 427.529 5.377 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H](c3ccccc3)C(C)C)cc2)CCC1 1786184018 LYGAQWROYWCILB-YKSBVNFPSA-N 449.595 5.361 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CCC(F)(F)F)cc3)CCC2)c(Cl)c1 1787871678 PFRPEELRERZLLZ-UHFFFAOYSA-N 449.860 5.302 30 20 IKED CCCc1ccc(C(=O)NC2(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC2)cc1 1789576475 YCWAJEJWLVXPKR-MTDXEUNCSA-N 443.547 5.099 30 20 IKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3c4ccccc4n4ccsc34)cc2)CCC1 1790002155 ZHJYDCJYZIHTEO-OAHLLOKOSA-N 449.601 5.220 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3c(-c4ccccc4)cn4ccccc34)CCC2)cc1 1791588146 FNXWLYBPHXRSAI-UHFFFAOYSA-N 449.554 5.930 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)CCCCC)[C@H]1c1cccnc1 1812694914 YDYKZQFRDHCVMV-TUACAJSNSA-N 425.617 5.072 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3ncccc3c2)n[nH]1 1818475158 KLBCFZIBLSSJFP-HSZRJFAPSA-N 443.551 5.032 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2scnc2C2CC2)CC1 1825645799 SYUBJJIUJRIYJH-RTWAWAEBSA-N 441.641 5.022 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2csc3c2CCCC3)CC1 1832030144 CUVQLGAPDNUVBZ-QHCPKHFHSA-N 440.653 5.054 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1ccc(F)cc1 10229738 FPCZYQZEDJYDFS-UHFFFAOYSA-N 436.434 5.020 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(F)cc2)cc1 10829468 HLGZTQFWWNAOLC-UHFFFAOYSA-O 449.615 6.685 30 20 IKED N#Cc1c(NC(=O)CCSc2ncc(-c3ccc(F)cc3)o2)sc2c1CCCC2 10848496 RAYOIWVQQWJHGP-UHFFFAOYSA-N 427.526 5.414 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2SC(F)F)nnc1-c1ccccc1 11056028 VVEZCCKSJJOEQK-UHFFFAOYSA-N 432.521 5.177 30 20 IKED Cc1ccc(N/C(S)=C(\C(=O)c2cc(C)n(C)c2C)[n+]2ccc(C(C)(C)C)cc2)cc1C 11161914 VULXHDOVZQVKJE-UHFFFAOYSA-O 448.656 5.895 30 20 IKED O=C(C[C@@H]1S/C(=N/c2cccc(C(F)(F)F)c2)NC1=O)Nc1cccc2ccccc12 15231880 JUBDJWDIILUFSY-SFHVURJKSA-N 443.450 5.107 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Cl)nc2cc(Cl)ccc2c1=O 16827219 YRMSSSKJGSKECW-GFCCVEGCSA-N 434.348 5.009 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)nnc1-c1ccccc1 21754303 DFXOKMOBRAFIFG-INIZCTEOSA-N 446.532 5.199 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2ccccc2C)n1CC 22009818 OZJCRSAPJMAGAP-UHFFFAOYSA-N 447.029 5.295 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2cc(C)ccc2C)cc1 22729712 WMUXTJKKQOGKAW-UHFFFAOYSA-O 434.629 5.550 30 20 IKED COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)O[C@@H](C)C#N)cc1OC 23542340 DDUQOBYGUKGRIF-HZGBGQKMSA-N 428.488 5.198 30 20 IKED C=C(C)COc1cc(CNCc2cccc(NC(=O)c3ccc(C)cc3)c2)ccc1OC 60948617 QECBLRVICKGDHA-UHFFFAOYSA-N 430.548 5.501 30 20 IKED N#Cc1c(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)sc2c1CCC2 64778547 CWSOTECGYYBQIF-UHFFFAOYSA-N 442.519 5.281 30 20 IKED CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C 71907191 PXPNGUKWEWEOTQ-LJQANCHMSA-N 435.911 5.369 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3[nH]c4ccccc4c3Br)c2)c1 108046069 DYMLBGONEGBWOD-UHFFFAOYSA-N 446.304 5.633 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc(Cl)c1SC(F)F 110213916 UHRFFYMYBXXYJZ-UHFFFAOYSA-N 426.872 5.333 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COc1ccccc1OCc1ccccc1 303284523 LAEIXASTWSKPHK-LJQANCHMSA-N 432.545 5.535 30 20 IKED CC1(C)CC(=O)c2sc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)nc2C1 409587341 OTSBLCRPIIWOPV-UHFFFAOYSA-N 431.517 5.001 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3NC(=O)C[C@H]3C=CCC3)o2)cc1 409982965 YGYFBWGGEQLFCM-SFHVURJKSA-N 441.487 5.277 30 20 IKED COc1cccc(/C=C(\CC(=O)N(CCC#N)CC2CC2)c2nc3ccccc3s2)c1 426472938 DFEOSKAPLBEDOV-XSFVSMFZSA-N 431.561 5.388 30 20 IKED Cc1c(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)sc2ccc(C#N)cc12 429820469 YKIGRBKITCJKRE-MRXNPFEDSA-N 426.925 5.545 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(Sc3ccccc3Cl)nn2)s1 430604259 MHCASNMUKAWMBG-LBPRGKRZSA-N 428.970 5.525 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@H](CCCC#N)c2ccccc2)n(-c2ccc(F)cc2)c1C 433042728 ZWUBVJDSXPLKKD-XMMPIXPASA-N 443.526 5.068 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(c3ncc(C)s3)CC2)cc1 433510621 OKXHPCUGXGPNBC-UHFFFAOYSA-N 448.548 5.536 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(COc2ccc(C#N)c(C)c2)cs1 434653024 JYNPWRSDDJVLCR-UHFFFAOYSA-N 431.439 5.606 30 20 IKED COC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1ccc(F)cc1 438217339 ROTCOFOBBDGLHO-OAQYLSRUSA-N 435.455 5.007 30 20 IKED Cc1ncsc1CN(C)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 438547480 POYXOISLESBUSR-UHFFFAOYSA-N 446.454 5.798 30 20 IKED C=CCC[C@H](NC(=O)Nc1cccc(N2CCNC2=O)c1)c1ccc(C(F)(F)F)cc1 441612784 SDXUMTCXEKURBJ-IBGZPJMESA-N 432.446 5.064 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1cccc2ccc(C)nc12)c1ccc(C(F)(F)F)cc1 442048714 AEKJWKAGPMGHAQ-IBGZPJMESA-N 441.453 5.324 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl 442886784 RHRXUBBYHXJXKW-UHFFFAOYSA-N 430.291 5.138 30 20 IKED N#CCCCn1cc(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)c2ccccc21 443899921 MGFMRNGYZNNXQU-AREMUKBSSA-N 433.515 5.341 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)c2ccccc21 443944220 DGSKIGCADLSRFZ-UHFFFAOYSA-N 444.922 5.825 30 20 IKED N#CCCCn1cc(C(=O)NCc2cc3cc(Br)ccc3[nH]2)c2ccccc21 444264705 DGWSDCNSGWQQIF-UHFFFAOYSA-N 435.325 5.119 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2cc(Cl)ccc2OC(C)C)c1C#N 445565985 WEXYDMTXMUGENS-UHFFFAOYSA-N 426.929 5.159 30 20 IKED CC[C@H](c1ccccc1)N1CC(=O)N(c2cccc(COc3ccc(CC#N)cc3)c2)C1=O 445892803 FKSNSBIYGWPGPA-RUZDIDTESA-N 439.515 5.252 30 20 IKED CCOC(=O)[C@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c2ccccc21 446246747 IVHSHXKGUDMJAO-FQEVSTJZSA-N 444.462 5.187 30 20 IKED C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H]1c1ccc(COC)o1 460367026 BVHCUISSNQUKOL-NRFANRHFSA-N 445.523 5.257 30 20 IKED O=C([C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N(Cc1ccc(F)cc1)CC(F)(F)F 460451908 QVDFADFDEACKLV-HZPDHXFCSA-N 435.339 5.419 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2Cc3ccc(O)cc3C3(CC3)C2)cc1 463483241 GRMZEPBIXCRSTB-UHFFFAOYSA-N 439.515 5.117 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cc(F)c(Br)cc2Cl)c1 466462476 UMQFOYQUPISWPM-UHFFFAOYSA-N 449.663 5.538 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2nc[nH]n2)cc1Cl 467160871 MNMRFVNUINVVAE-IRLDBZIGSA-N 442.910 5.025 30 20 IKED C=CCCN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)c(OC)c1)CC2 468183023 LYHUAGGAYPXWRN-MNDPQUGUSA-N 428.532 5.387 30 20 IKED C[C@@H]1C[C@@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2cccc(Br)c21 469285430 GVNYNHZFKCCDRM-FOIQADDNSA-N 438.369 5.692 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3ccc(C4(C#N)CC4)cc3)C2)n1 470410103 ZKZLAWMKBFLFRU-IBGZPJMESA-N 443.572 5.394 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Nc2ccccc2O[C@@H]2CCOC2)cc1 470792343 JDNWERUKIXSLGO-JOCHJYFZSA-N 443.503 5.143 30 20 IKED Cc1ccc([C@@H](NCC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccn2)cc1 471063931 WPKBZAJUALEBNW-KBMIEXCESA-N 430.577 5.102 30 20 IKED N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(SCc3ccccc3Cl)cn2)cc1 472519625 UKPSSMZMNQBCDZ-LJQANCHMSA-N 432.936 5.220 30 20 IKED N#CC(CCN1CCC(NC(=O)C2CCCCC2)CC1)(c1ccccc1)c1ccccc1 472575229 RIJQAZFQPKTQEZ-UHFFFAOYSA-N 429.608 5.047 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)CCc1nc(O)c2c3c(sc2n1)C[C@@H](C)CC3 473376412 IRJSYEUQAURHCK-KRWDZBQOSA-N 435.593 5.059 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(CCN2CCC(C)CC2)c1 478517599 NECRZMFBSCMTTD-UHFFFAOYSA-N 437.632 5.349 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H](Nc3ccccc3)C2)cc1 478597929 NCNVYHZMUIMMFQ-XMMPIXPASA-N 440.547 5.440 30 20 IKED CCN(Cc1ccccc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1)C(C)=O 479545491 UBJRSHUFXGCPTQ-UHFFFAOYSA-N 429.545 5.330 30 20 IKED C[C@H](NC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1ccon1 482338347 SDNWSDUZLHDQDA-MADCSZMMSA-N 449.273 5.376 30 20 IKED CC(C)CN(Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1Br 483536635 KIGMIFSLFVXOGH-UHFFFAOYSA-N 425.330 5.029 30 20 IKED CCCCn1ncc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1C(C)C 484190253 JHAYRDXHWDLINU-UHFFFAOYSA-N 445.567 6.096 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)NC34CCC(C(F)(F)F)(CC3)CC4)c2)cc1 488397269 KUKFNFVJQKWCRG-UHFFFAOYSA-N 428.454 5.522 30 20 IKED C=C(C)Cn1c(SCc2nn(-c3ccc(F)cc3)c3c2CCC3)nnc1-c1ccncc1 489414286 POXJEIMYGLUXCT-UHFFFAOYSA-N 446.555 5.022 30 20 IKED CCOc1ccc(-n2c(S[C@@H](C#N)Cc3ccc(C)cc3)nnc2-c2ccccn2)cc1 489464488 PAHLJVGIYQBMJF-JOCHJYFZSA-N 441.560 5.263 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3C(F)(F)F)o2)cc1 489765137 WPTJIVOZKKRJBJ-ZDUSSCGKSA-N 449.454 5.440 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1COc2ccc(Cl)cc21 489901998 YMIMLFGMYZZPGL-CQSZACIVSA-N 426.847 5.479 30 20 IKED C=CCN(Cc1cccs1)C(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1 493153957 IASWXAFVZCAJAY-UHFFFAOYSA-N 442.650 5.460 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 494068260 GBAAPLRCLRFXJI-LJQANCHMSA-N 442.588 6.339 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)cc1Cl 494199406 VQIJPAQDOMETBX-XQFWAAQXSA-N 441.984 5.172 30 20 IKED CCc1ccc([C@@H](Nc2cccc(OCCCC#N)c2)c2cccc(S(C)(=O)=O)c2)cc1 494948692 JOYQUMURZJGOTB-AREMUKBSSA-N 448.588 5.537 30 20 IKED N#Cc1ccc(C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1 499047591 IAQQTLKDLPFQQP-GFCCVEGCSA-N 430.226 5.222 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc([C@H]2CCCOC2)c1 499728684 XVRWDLCEULRWTM-DEOSSOPVSA-N 426.516 5.592 30 20 IKED Cc1cc(C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)nn1-c1cccc(C#N)c1 503027874 BFBAMMAACOWVNE-UHFFFAOYSA-N 429.867 5.145 30 20 IKED COc1ccccc1C1(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 503928019 NBMSDLYKSYIWHY-UHFFFAOYSA-N 428.557 5.321 30 20 IKED CC[C@@H](C)n1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1-c1ccccc1 504343969 SIPHQEXPOUNYCC-CYBMUJFWSA-N 425.583 5.197 30 20 IKED N#CCCCCNC(=O)c1ccccc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 505073225 FKXJMXBVJBPZHH-UHFFFAOYSA-N 436.364 5.148 30 20 IKED CCC[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nnc2ccccn12 506309120 SJDAWQBIMOQTIB-FQEVSTJZSA-N 426.480 5.056 30 20 IKED C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 508480217 DODULFQWHIPWRZ-UHFFFAOYSA-N 447.489 5.005 30 20 IKED CCN(C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)[C@@H](C)c1ccc(C#N)cc1 508943620 ZBOCLKJFMXPWSZ-HNNXBMFYSA-N 443.494 5.853 30 20 IKED COc1ccc([C@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1F 509891070 QLDKOTFBWNUKHH-KRWDZBQOSA-N 433.483 5.362 30 20 IKED C[C@@H]1CCCCN1CCCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510003728 AUJUWGTXKWYQEJ-AUSIDOKSSA-N 439.003 5.772 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCCN(Cc3ccccc3)CC2)cc1 510658605 AXXGBZUUNBXOMW-UHFFFAOYSA-N 426.520 5.090 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CCN(C)C)Cc1ccccc1 510858640 XJGGTNDYUOHBPR-UHFFFAOYSA-N 428.536 5.255 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12 512869717 XPPZBMFURSALRM-UHFFFAOYSA-N 432.505 5.399 30 20 IKED C=CCN(C(=O)c1cccc(COc2ccccc2C#N)c1)c1nc2c(s1)CCCC2 513491466 IFMXBRIPSQTLSJ-UHFFFAOYSA-N 429.545 5.305 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 513591509 GVJZEUNKDMKAIP-UHFFFAOYSA-N 448.444 5.378 30 20 IKED C=CCn1c(SCCCc2nc(-c3ccc(C)c(F)c3)no2)nnc1-c1ccoc1C 514347547 HUDZTLSQESSAIH-UHFFFAOYSA-N 439.516 5.255 30 20 IKED COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1sc2c(c1C#N)CCCCCC2 515448171 SJKOVDFKOIIUNA-AWEZNQCLSA-N 428.579 5.185 30 20 IKED Cc1ccc(-n2ncc(C(=O)NC3CCC(Oc4ccccc4C#N)CC3)c2C(C)C)cc1 517667068 NRTGHFKGUCZSJA-UHFFFAOYSA-N 442.563 5.296 30 20 IKED CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 517843831 AZGBNWZOMQDSMX-QHCPKHFHSA-N 449.457 5.022 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCCOc1cccc2ccccc12 519416103 DTNSLHZSLQURAP-GOSISDBHSA-N 436.602 5.985 30 20 IKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)NCCC1=CCCCC1 519432881 FIXXZYHGPVNISO-OAHLLOKOSA-N 425.520 5.518 30 20 IKED C[C@H]1CCCCN1C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 522844185 JEJKPRGZTGTHNE-SFTDATJTSA-N 432.568 5.469 30 20 IKED CC(C)n1c([C@H](C)NC(=O)c2cccc(COc3ccccc3C#N)c2)nc2ccccc21 522924396 CDRQNXKFLFCPSJ-IBGZPJMESA-N 438.531 5.559 30 20 IKED Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1C)CCC2 524151901 CHWHOMKXNOZPFH-JOCHJYFZSA-N 432.549 5.965 30 20 IKED C[C@H](C#N)CN(C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F)C1CC1 532812155 WTXMLRFQASVQRN-CYBMUJFWSA-N 448.420 5.253 30 20 IKED CC(C)(C)c1nn(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c(O)c1CCC#N 534632654 IRRWYBFNRCCDDF-SFHVURJKSA-N 449.382 5.013 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1C[C@@H]2CCC(C)(C)c3cccc1c32 537385068 VLHSRNVWTWWCQI-WWMYMODYSA-N 447.604 5.436 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@H](c3ccccc3)[C@H]3CCOC3)c2)cc1 539028314 ULOUPMIPWBSRIY-JYFHCDHNSA-N 441.531 5.231 30 20 IKED Cc1nn(C)c2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c12 539681704 RMBICMIBGXLGDG-AWEZNQCLSA-N 449.486 5.046 30 20 IKED CCNc1ccc(C#N)cc1NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 552349507 DOKJEEGOGADYGA-UHFFFAOYSA-N 431.279 5.116 30 20 IKED C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)c2ccc(Cl)cc2)CC1 555244437 LNSJATBPJBLNHA-UHFFFAOYSA-N 445.954 5.146 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(C(=O)N(CC)CC)c(Cl)c1 562076735 SZVQPDIOGVVWSZ-UHFFFAOYSA-N 445.995 5.210 30 20 IKED C=C(C)Cn1c(SCc2cc([N+](=O)[O-])ccc2C(F)(F)F)nnc1-c1ccncc1 563965769 BIOHMJHUTKDAIZ-UHFFFAOYSA-N 435.431 5.136 30 20 IKED CCOc1ccc(Oc2cc(CNCc3ccc(C#N)cc3C(F)(F)F)ccn2)cc1 565450153 KVXSEYGCYGDZTA-UHFFFAOYSA-N 427.426 5.453 30 20 IKED CCO[C@H](c1noc(-c2cccnc2C(F)(F)F)n1)c1ccc(F)cc1C(F)(F)F 577918045 AWKYBTFJQXILMQ-ZDUSSCGKSA-N 435.299 5.434 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3CCCSc4ccc(Cl)cc43)CC2)c(F)c1 578162135 OLHQQFNCONUNPB-UHFFFAOYSA-N 429.948 5.096 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@@H]3c4ccccc4CC34CCOCC4)cc2)cc1 581163272 MFUNPBZKQUDAPC-AREMUKBSSA-N 438.527 5.369 30 20 IKED C[C@H](Oc1ccccc1NC(=O)c1cc(OC(F)F)cc(OC(F)F)c1)C(F)(F)F 584014234 GHMAIVIWQHBFEK-VIFPVBQESA-N 441.299 5.471 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(C(=O)OC(C)C)ccc1Cl 588241362 DDFVENDOLKYQIX-UHFFFAOYSA-N 432.952 5.293 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CC(Cc4cccc(C(F)(F)F)c4)C3)cc2)nc1 590423234 NAHQQQNWLSEWQZ-UHFFFAOYSA-N 437.421 5.079 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)cn2)c1 603622980 BOOVJEFQEZERKR-UHFFFAOYSA-N 449.392 5.202 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)CCN3CCC[C@H](c4nc5ccccc5o4)C3)c2C#N)C1 603629541 AXWKDZYDXHUVOI-SJORKVTESA-N 448.592 5.094 30 20 IKED N#Cc1ccc(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1Cl 603947174 BSEQLFRHVGRMTO-RCZVLFRGSA-N 443.934 5.330 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)s1 603991573 MUZFBHAOCACWKU-UHFFFAOYSA-N 447.610 6.060 30 20 IKED N#Cc1cccnc1Oc1ccccc1NCC(=O)N[C@@H](c1ccccc1)c1cccs1 604007621 IGLSRHAVNDONBZ-DEOSSOPVSA-N 440.528 5.125 30 20 IKED C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1cc2ccccc2o1 608785527 ZXILYISIEILCIT-GOSISDBHSA-N 427.479 5.917 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)c2)cc1 609176025 WSBATFHSCYLCCE-UHFFFAOYSA-N 442.475 5.114 30 20 IKED Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609216100 HAEMZSQKSZWLAQ-UHFFFAOYSA-N 435.483 5.371 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2coc(-c3cccs3)n2)cc1 609261852 DZWBBVQMQXBHFH-UHFFFAOYSA-N 431.473 5.257 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)cc1 609298247 HYEOKGDQHQFSMI-UHFFFAOYSA-N 449.869 5.288 30 20 IKED N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1nc2cc(F)ccc2s1 609322041 UVPSPVPHZPBZRX-KRWDZBQOSA-N 449.488 5.985 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H]3CCN(c4ccc(F)c(F)c4)C3)cc2)c1 609433850 MPZAREJGPATBJV-GOSISDBHSA-N 448.473 5.277 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)c1 609600452 FHJUMWKBEWRWIR-UHFFFAOYSA-N 443.529 5.296 30 20 IKED COc1ccc(Br)cc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 610171251 FYDVJCIWBPJUHN-UHFFFAOYSA-N 437.293 5.161 30 20 IKED C=CCn1c(SCc2cccc(C(=O)N3CCCCC3)c2)nnc1-c1cccc(C)c1 614507679 KDKXUKWIJPQWIS-UHFFFAOYSA-N 432.593 5.358 30 20 IKED CCOc1ccc(NC(=O)c2ccc(NC(=O)N[C@H]3CCc4cc(C#N)ccc43)cc2)cc1 618744315 SRFZDOAKXDPJHL-DEOSSOPVSA-N 440.503 5.018 30 20 IKED O=C(CC1CC(F)(F)C1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517272 FDUZZNFPJVQCKL-CQSZACIVSA-N 431.323 5.060 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCS[C@@H](c2ccccc2)C1 670228186 HGOJAXYXDGDSRB-VXNXHJTFSA-N 446.620 5.394 30 20 IKED C=CCC[C@H](NC(=O)N[C@H](C)c1ccc2nc(O)[nH]c2c1)c1ccc(C(F)(F)F)cc1 676760292 AGYMPRVHJNQYSV-DYVFJYSZSA-N 432.446 5.355 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccc(C(C)C)cc3)o2)cc1 727268556 QCSQQIRTGPYETC-SFHVURJKSA-N 434.565 5.596 30 20 IKED N#C[C@@H](C(=O)CSC[C@@H]1CCCCO1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 727627316 DZMOJKODBMUHQA-UGUVSMLOSA-N 430.639 5.089 30 20 IKED COc1ccc(/C=C2\CCc3nc(-c4ccc(C)cc4)sc3C2=O)cc1OCCCC#N 727655274 UYIKLPMZUVBWCF-HMMYKYKNSA-N 444.556 6.022 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)NCCCN(C)c1ccccc1 727978974 REDLFUPOTMHLPT-UHFFFAOYSA-N 444.604 5.259 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccnc1SC(F)(F)F 727995767 CXPSLKKYPCKANT-UHFFFAOYSA-N 443.450 5.705 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCCC#N)cc1 728778902 VMZMAHBPFYGFPN-JOCHJYFZSA-N 448.592 5.266 30 20 IKED COc1ccc(-c2nn(CN(C)[C@H](C)CC#N)c(=S)n2-c2ccccc2C(C)C)cc1 728904273 NQAOWKUDYDEBFA-GOSISDBHSA-N 435.597 5.394 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)cc1 729887705 ATXWLBNDQBFKMC-FQEVSTJZSA-N 446.532 5.507 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)NCc1ccc(OCC#N)cc1 730128740 ZXXHXCZBGVRTJO-HNNXBMFYSA-N 440.956 5.235 30 20 IKED Cc1sc2ncnc(SCC(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c2c1C 730416922 JFQVVEGCBIWDBC-GFCCVEGCSA-N 428.539 5.026 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(SC(F)F)cc1 730995073 OTNHOJYHOQQESA-UHFFFAOYSA-N 432.439 6.278 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccccc3Br)n2)cc1 732901179 LTOFZDUMPTZCFQ-GDBMZVCRSA-N 441.350 5.525 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1[nH]c(-c2ccccc2)nc1C 733079457 CFIOSKRQCHTNEO-UHFFFAOYSA-N 437.429 5.092 30 20 IKED CC[C@@H](C#N)Oc1cc(CNCc2ccc(Oc3cc(F)cc(F)c3)cc2)ccc1OC 733330029 OQNLYZDOJWYPEJ-NRFANRHFSA-N 438.474 5.736 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c1 733845338 BMYGVUCCKSEARY-OAQYLSRUSA-N 433.483 5.298 30 20 IKED N#CCOc1ccc(Cl)cc1COC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 735334630 MSVOBIGPLJXTMQ-UHFFFAOYSA-N 433.316 5.305 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)c1cc(F)ccc1[N+](=O)[O-] 740785109 DHXOZBLQMJQUAQ-UHFFFAOYSA-N 442.312 5.659 30 20 IKED CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 742382177 KNSALSYKNFRLDO-UHFFFAOYSA-N 435.524 5.326 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1 742889792 MZQHANBDKDQAFD-SFHVURJKSA-N 441.531 6.063 30 20 IKED C[C@H](C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1C(F)(F)F 744034022 YEWAQLYAMGSKLT-BONVTDFDSA-N 429.225 5.463 30 20 IKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C2CC(F)(F)C2)cc1 757895682 PFZFFZPWNMUDNJ-LJQANCHMSA-N 443.519 5.007 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCCSc2nccs2)cc1 758588123 VCAKUUCIHOAWLY-UHFFFAOYSA-N 440.550 5.120 30 20 IKED CCN(Cc1cccc(NC(=O)c2cc(C(F)(F)F)ccc2F)c1)C(=O)C(F)(F)F 760360588 MGPBTUCXJMRTAN-UHFFFAOYSA-N 436.327 5.008 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2(CCOCc3ccccc3)CC2)cc1 760732568 DDIJHZAOJFUOOI-VWLOTQADSA-N 425.532 5.603 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1cccc(C(=O)c2ccccc2)c1 762040770 WRNSNOFTOVPIMB-JXFKEZNVSA-N 443.453 5.642 30 20 IKED C[C@H](Sc1ccc(Br)cc1)C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl 764301141 IWKKELMTAPHWHJ-VIFPVBQESA-N 440.706 5.002 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)ccc1NC(=O)OC(C)(C)C 772556045 UVCDHJAHCXVOJB-KRWDZBQOSA-N 434.521 5.351 30 20 IKED CC(=O)N(c1nc(COC(=O)Cc2ccccc2CC#N)cs1)c1c(C)cc(C)cc1C 777161493 LZYWVVKCIONWHE-UHFFFAOYSA-N 447.560 5.105 30 20 IKED CCCOc1c(Br)cc(CNc2ccccc2O[C@H](C)C#N)cc1OCC 779989100 NOUVKNIFGOZSEX-OAHLLOKOSA-N 433.346 5.540 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 780157913 FDHAFXCNDJEMMB-CQSZACIVSA-N 427.382 5.436 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 785916249 FJBQBHNZACXLMG-FQEVSTJZSA-N 441.531 5.160 30 20 IKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccsc1 790758329 BSYPIBWDUPCWKW-KRWDZBQOSA-N 441.603 5.279 30 20 IKED C[C@H](OC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 795821479 AOABUSSPYYNZNW-BLLLJJGKSA-N 440.343 5.583 30 20 IKED CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1Cl 799220595 FHVRQDODCPKLDP-INIZCTEOSA-N 440.327 5.113 30 20 IKED Cc1ccc(C(=O)N(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C(C)C)cc1C#N 799332337 BIEQCAVUOZHJFV-UHFFFAOYSA-N 437.849 5.028 30 20 IKED Cc1cc(N(CCC#N)C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)ccc1Cl 801464331 VVLYKHXSVMLVNW-UHFFFAOYSA-N 446.941 5.205 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)OCc1cc(F)c(C(F)(F)F)cc1F 805526001 RQMQEQHEENMJNX-MRVPVSSYSA-N 444.322 5.206 30 20 IKED C[C@H](SC1=NC(=O)/C(=C\c2csc3ccccc23)S1)C(=O)Nc1ccccc1C#N 814774062 XVYLYZUXQUOBBT-UZPSYVQNSA-N 449.582 5.504 30 20 IKED N#CC1(CC(=O)OC2CCC(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)CC1 816044267 WKNYAWHJQJYAED-UHFFFAOYSA-N 444.531 5.073 30 20 IKED CC(C)c1ccccc1N=C1SCCCN1C(=O)CCCc1nc(O)c2ccccc2n1 864015736 UHZACFUVWRTDFK-UHFFFAOYSA-N 448.592 5.435 30 20 IKED O=C(c1cc2ccccc2n1Cc1ccncc1)N(O)Cc1cc(Cl)cc(Cl)c1 901378252 JPCLIIFRWQDSJI-UHFFFAOYSA-N 426.303 5.423 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@H](C#N)c2nc3ccccc3n2C)cc1 915099847 DARZLJGPFSXRAI-QFIPXVFZSA-N 448.526 5.539 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102184 OCRDYIABFQPPAA-WBMJQRKESA-N 442.327 5.632 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCNC(=O)C34CC5CC(CC(C5)C3)C4)n2)cc1 915102355 XXCTYTFXLZFBLC-IMBGCFGXSA-N 447.604 5.018 30 20 IKED CCOc1ccc(NC(=O)COc2ccc(/C=C\C(=O)c3ccccc3)cc2OC)cc1 916134269 DBSNRSUUEDJDON-DHDCSXOGSA-N 431.488 5.008 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)c1ccc(OCCCC(=O)O)cc1 916155248 PUXILIKFFJZZPM-BUHFOSPRSA-N 438.911 5.033 30 20 IKED Cc1ccc(SCCC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1C 916846879 HCWJUOCDIFPFQQ-KRWDZBQOSA-N 437.590 5.251 30 20 IKED CC[C@H](C)c1ccccc1OCC(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916847200 NGIAUQGFGYFNIK-YOEHRIQHSA-N 435.549 5.044 30 20 IKED Cc1nc(-c2cccs2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916888312 VTRJYVXFKATQDP-ZDUSSCGKSA-N 449.529 5.456 30 20 IKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1 916933286 BVMMCDOGFXDKAX-JICACKBISA-N 436.920 5.438 30 20 IKED CSc1ccc(N2C[C@H](C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)CC2=O)cc1 916974410 KOUJNDMJHQDRJQ-XLIONFOSSA-N 447.585 5.070 30 20 IKED COc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1F 916995475 FSBHHPADFLFVNG-OAHLLOKOSA-N 449.334 6.074 30 20 IKED N#C[C@@H](C(=O)CSc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997906 ZZDIBJUONZZHLA-HNNXBMFYSA-N 437.348 6.225 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(F)c2)n1)c1nc2ccccc2n1C(F)F 917040532 LKBNETQGOLSQCC-HNNXBMFYSA-N 426.423 5.113 30 20 IKED C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F 919920358 TYHKASAVKUTJAY-DCAQKATOSA-N 436.318 5.539 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1)c1ccc2ccccc2n1 920106015 ITQOJXKSGXWZDN-FGMOTEPXSA-N 443.934 5.159 30 20 IKED C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920143321 VRHNSDGZZGTUCT-BLLLJJGKSA-N 442.327 5.632 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4scnc4c3)CCC2)cc1 1786366923 HXOHFAAHWXJBEP-UHFFFAOYSA-N 449.576 5.027 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(F)cc3F)cc2)CCC1 1786589681 IFCRHRYTQFBKJS-VZUCSPMQSA-N 442.531 5.031 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3cccnc3Cl)CCC2)cc1 1789453378 YPOSHJAPNYEDQM-NRFANRHFSA-N 437.971 5.180 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@@H]4Sc5ccccc5[C@H]43)CCC2)cc1 1791249743 ABQKTUAKPJIXOU-YMPRXVIZSA-N 432.589 5.221 30 20 IKED CC(C)(C)CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1ccc(C#N)cc1)C2 1801829116 KWMVPHZKNFMYOK-BKFWDETESA-N 437.628 5.126 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)[C@H]1c1cccnc1 1812902408 TWUOCWKFBYQJSQ-LUGTWXOSSA-N 439.644 5.296 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)cc2)CC1 1828827395 MEVTTXCPNBVFLE-PKTZIBPZSA-N 429.004 5.342 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3ncccc3c2)CC1 1828828843 SHTBKQMZEDWFGA-AZGAKELHSA-N 445.607 5.237 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ccoc3c2)CC1 1830909035 RXGWNOHFYQNKRT-ZEQRLZLVSA-N 434.580 5.435 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1ccc(Oc3ccccc3)cc1)C2 1844203279 HDPOFSPJGXDKDI-XMMPIXPASA-N 430.548 5.064 30 20 IKED O=C(/C(=C(/S)Nc1cc(Cl)cc(Cl)c1)[n+]1ccccc1)c1cccc([N+](=O)[O-])c1 15247952 FQFXWPHTPYYWGF-UHFFFAOYSA-O 447.323 5.240 30 20 IKED C=CCn1c(SCc2csc(-c3ccsc3)n2)nnc1-c1ccccc1OC 15748071 VCGMFUIPHVIWLN-UHFFFAOYSA-N 426.592 5.617 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nnc1-c1ccccc1 21755147 MTWDXOPCHCPOFM-SJORKVTESA-N 432.549 5.235 30 20 IKED CC(=O)N1CCc2cc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)ccc21 60670476 LPJPIFBQAFWBKN-UHFFFAOYSA-N 427.529 5.012 30 20 IKED CCC[C@@H](NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)c1ccc(Cl)c(Cl)c1 63981450 VTPXMMDVLLSVGT-HXUWFJFHSA-N 444.366 5.115 30 20 IKED C[C@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)C(=O)Nc1ccccc1C#N 104498180 CRFMXAGEWNPJTI-HNNXBMFYSA-N 428.492 5.427 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1OC 206040036 MCUGZRCEBQNKDI-SQFISAMPSA-N 425.488 5.455 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OC(C)C 253375677 QPPNNCVEQWZTMC-KRWDZBQOSA-N 426.925 5.749 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 303287896 LUGVZQPFOZTGFF-SFHVURJKSA-N 427.529 5.641 30 20 IKED CC(C)[C@@H](c1ccccc1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 303440927 AUIJJBFKLYNGSA-SANMLTNESA-N 427.548 6.193 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccncc3)c2)c1 303579216 OLWUKCYCVIFHSC-UHFFFAOYSA-N 448.482 5.037 30 20 IKED Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)ccc1NC(=O)CC(C)C 304084136 WFNPQUBHKUDWDG-UHFFFAOYSA-N 441.531 5.683 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 410350363 DIZJXBHTBJGGEU-AWEZNQCLSA-N 442.302 5.767 30 20 IKED N#C[C@@H](C(=O)c1ccc(Sc2ccccc2Cl)nn1)c1ccc(C(F)(F)F)cn1 426176054 KXFSJDPDZSMNCU-GFCCVEGCSA-N 434.830 5.185 30 20 IKED Cc1c(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)sc2ccc(C#N)cc12 428136287 TYPMILVCMJATLR-UHFFFAOYSA-N 443.503 5.654 30 20 IKED N#Cc1ccc(CNc2cccc(Oc3ncc(Br)cn3)c2)c(OC(F)F)c1 431211016 XFDVXGZMHLJNGX-UHFFFAOYSA-N 447.239 5.117 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(Cl)cc(F)cc1Cl 431616705 ISHBPXGGODJFOM-UHFFFAOYSA-N 429.278 6.144 30 20 IKED N#CCCn1cc(CNc2cccc(OCc3ccc(Cl)cc3)c2)c(-c2ccncc2)n1 433314248 USADNZWFBBCNBE-UHFFFAOYSA-N 443.938 5.703 30 20 IKED CN(c1ccc(C(F)(F)F)cc1Cl)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 435902389 LWROSNCLXNTYEH-UHFFFAOYSA-N 442.768 5.074 30 20 IKED C[C@@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)Oc1ccc(Br)cc1 438045569 UGZHTVYZLVAVNP-GJZGRUSLSA-N 448.386 5.432 30 20 IKED C=C(C)[C@@H](NC(=O)NCc1nc(COC)sc1-c1ccccc1)c1ccc(F)c(F)c1 441042056 PIXPRTLCKOZVKS-OAQYLSRUSA-N 443.519 5.351 30 20 IKED C=CCC[C@H](NC(=O)Nc1cc(C(=O)N(C)C)ccc1OC)c1ccc(C(F)(F)F)cc1 442191721 HQNJIMROKISVCJ-SFHVURJKSA-N 449.473 5.245 30 20 IKED Nc1ccc(F)c(NC(=O)CCN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1 444735936 OSEXXWDJCHMCGH-MRXNPFEDSA-N 437.359 5.039 30 20 IKED C=CCOc1cccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccccc4OC)cs3)C2)c1 446123063 UHNCKJHIDHOFCP-GOSISDBHSA-N 449.576 5.795 30 20 IKED COCCN(C(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12)c1ccc(C#N)cc1 460345202 FLRKOUYLTTXBQK-UHFFFAOYSA-N 446.532 5.041 30 20 IKED CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1nc2ccccc2s1 460576318 NMFBDIZRHZYNBJ-FQEVSTJZSA-N 428.565 5.424 30 20 IKED N#CCCn1cc(CN2CCC(c3cccc(Cl)c3Cl)CC2)c(-c2ccncc2)n1 463007900 FCLWLHDIMSXAPJ-UHFFFAOYSA-N 440.378 5.545 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCn4c(cc5ccccc54)C3)c2)cc1 463509188 KGMSIGURLSJFFF-UHFFFAOYSA-N 436.515 5.334 30 20 IKED CS(=O)(=O)c1cccc([C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)c2ccc(F)cc2)c1 463658791 BTCJMEVBHWSOSC-OAQYLSRUSA-N 448.441 5.321 30 20 IKED N#CCCSc1ccccc1NC(=O)CCc1nc2cc(Br)ccc2s1 463793866 NPTNGTYNOVYTKP-UHFFFAOYSA-N 446.395 5.636 30 20 IKED CC(C)(C)n1cc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c(-c2ccc(F)cc2F)n1 464414387 JUZZRQDFJOARDI-HNNXBMFYSA-N 448.395 5.487 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)cc1 466060745 BZSUNTRXKDWJIO-ATIYNZHBSA-N 441.531 5.231 30 20 IKED O=C(c1cccc(F)c1F)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469767579 ZKDNRHJWUXVVGY-OAHLLOKOSA-N 439.302 5.216 30 20 IKED CC(C)(C)OC(=O)CCc1cccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1 470133347 MHWVELALRXYSRF-UHFFFAOYSA-N 443.503 5.272 30 20 IKED CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 470612466 NCUGBTDMFMGNTP-MJGOQNOKSA-N 435.877 6.190 30 20 IKED CC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C1CCOCC1 472737572 KFAXODFCFRXRIG-NRFANRHFSA-N 427.932 5.117 30 20 IKED CC(C)Oc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1C(N)=O 478500100 YNOFSAJFPBUPSB-UHFFFAOYSA-N 449.894 5.142 30 20 IKED Cc1ccc2c(NCc3cc(COC(C)(C)C)on3)c(C#N)cnc2c1Br 480176940 DPSZSQFPGLBTKU-UHFFFAOYSA-N 429.318 5.093 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 480551187 ILKQVMKPJHDWCV-CVEARBPZSA-N 448.514 5.358 30 20 IKED COc1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1Cl 482976474 IBTMDGZLYFXHST-UHFFFAOYSA-N 435.911 5.315 30 20 IKED O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)N(CCC(F)(F)F)Cc1ccccc1 484800642 ZEGCBPOPGCICFV-INIZCTEOSA-N 440.334 5.732 30 20 IKED CCOc1ccc(-c2nc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cs2)cc1 487357125 SIGXVJCZXUJDDA-UHFFFAOYSA-N 446.557 5.380 30 20 IKED C=CCSc1ccccc1NC(=O)CNc1ccccc1NC(=O)Cc1cccs1 487363329 GMDYXCCIPHHWDF-UHFFFAOYSA-N 437.590 5.258 30 20 IKED COc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1F 487419718 MLQBUZKAQYNEBF-UHFFFAOYSA-N 435.402 5.024 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cccc(OC)c1 488909348 LYYRGHKYTDXEOP-GOSISDBHSA-N 436.581 5.184 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](Cc1ccccc1)c1cccs1 493705709 JXPLOGDYAGWYOS-FXAWDEMLSA-N 449.601 5.039 30 20 IKED CCc1noc(C)c1NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 496315435 SGOFYDKWUMZRPI-UHFFFAOYSA-N 435.431 5.127 30 20 IKED Cc1cc(Br)ccc1N(C)C(=O)c1cccc(OCc2ccccc2C#N)c1 501028163 ZFKPFBOJHIONIC-UHFFFAOYSA-N 435.321 5.485 30 20 IKED CCOc1cn(-c2ccccc2)nc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 503549451 DXFXPUGDCDYXIU-GOSISDBHSA-N 448.935 5.538 30 20 IKED CC[C@H](C)n1c(SCC(=O)N(CC(C)C)c2ccc(C#N)cc2)nnc1-c1ccccc1 504280587 KCZGTBQRCBMVPF-IBGZPJMESA-N 447.608 5.569 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2cc(-c3nc4ccccc4s3)nc3ccccc23)n1 505293191 FNFHBYDSDSIBFG-INIZCTEOSA-N 426.526 5.767 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2nccc3ccccc23)cc1Cl 505416535 PWUCYIHYDQQFMT-QFIPXVFZSA-N 426.907 5.865 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c1 505955379 WBWKDRVAMCTGRK-GOSISDBHSA-N 437.849 5.338 30 20 IKED C=CCN(C(=O)C[C@@H]1CCCCC1(C)C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 508145619 DQYKLWUVYAFTDZ-SFHVURJKSA-N 446.638 5.339 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)COc2ccccc2-c2ccccc2)cc1 508166233 YOJFEFNXZBBEBV-UHFFFAOYSA-N 426.516 5.185 30 20 IKED C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 508810557 PQVFNRNZTSFCLY-IBGZPJMESA-N 448.542 5.151 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccccc2NC(=O)N2CCCC2)c1 508950623 NOSKRTJPXBPWFC-UHFFFAOYSA-N 440.503 5.017 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1 511629453 PRIMNUOXGGOSBW-UHFFFAOYSA-N 444.501 5.293 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(C#N)c(Cl)c1 512978154 YHOAAQXRPFJQRB-LBPRGKRZSA-N 432.332 5.780 30 20 IKED C[C@H](Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cn1)c1ccccc1 515542508 XZOAAEVTOXTNBJ-LAUBAEHRSA-N 425.513 5.835 30 20 IKED CCC(CC)[C@H](NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)c1cccs1 516083701 SIXGZKVHUYZQCX-NRFANRHFSA-N 448.548 5.039 30 20 IKED N#Cc1cccc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)c1 517437616 HKGQJJUXKVVLEK-UHFFFAOYSA-N 441.747 5.001 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(OCc2cccc(F)c2)cc1 517473147 KEWRXQBOCQPCCF-GOSISDBHSA-N 449.551 5.978 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H]2CCOc3ccccc32)cc1 517506724 UTAWVWJCVPKWOF-SFHVURJKSA-N 429.476 5.047 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)c3nccs3)cc2)c1 517530146 OIQVJNQVEBIWGT-QFIPXVFZSA-N 426.501 5.718 30 20 IKED Cc1nn(Cc2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)c(C)c1[N+](=O)[O-] 518240163 TUPBBLRFWAYYNU-OAHLLOKOSA-N 449.536 5.103 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(NC(=O)CC2CCCC2)CC1 518242216 VRPDTLXANQYFAQ-UHFFFAOYSA-N 447.604 5.011 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)NCCCCc1nc(-c2cccnc2)cs1 519110811 UNLYMOAKRQWCNO-UHFFFAOYSA-N 438.556 5.496 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)c1ccc(OC2CCCC2)c(OC)c1 519880322 PIFIBDIJHLCTQI-IBGZPJMESA-N 433.552 5.347 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc([N+](=O)[O-])c1 520466915 IYLGTJKPOXODAI-OAHLLOKOSA-N 432.288 5.824 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 520837462 VJGWZRNWEJSMPP-LBPRGKRZSA-N 439.415 5.040 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCCC[C@@H]3c3cc4ccccc4[nH]3)c2)cc1 521748034 IWVWFOKBGZCJCR-AREMUKBSSA-N 436.515 6.591 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](CCC)c2cccc(C(F)(F)F)c2)c1 524082542 FKFJGMZGUQXUOA-HXUWFJFHSA-N 434.458 5.256 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)c1ccc(Cl)cc1F 524382584 KNTGRNQOMMTOAC-UHFFFAOYSA-N 430.888 5.039 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(CN2CCCC[C@H]2C)cc1 524566496 VHWPLEFFYBLJSN-VQTJNVASSA-N 436.625 5.634 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N(Cc2cccnc2)Cc2ccco2)cc1Cl 535581380 ZPMASDAWKFKHIM-UHFFFAOYSA-N 443.890 5.835 30 20 IKED COCCOc1c(Cl)cc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1Cl 538032348 RNXVIUVDTGIBEK-UHFFFAOYSA-N 446.334 5.211 30 20 IKED CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)Nc1cc(C)n(CCC#N)n1 538617432 QJGCSIZFJWTRIT-UHFFFAOYSA-N 445.445 5.438 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2[C@H](C)CC[C@H]2CC)c1 538993615 YPYYXMZVOIKOTR-IEBWSBKVSA-N 447.000 5.124 30 20 IKED CC[C@@H](NCc1ccc(OCc2cccc(C#N)c2)c(OC)c1)c1ccc2c(c1)OCCO2 539280173 WGZSSUYGCBTBIK-HSZRJFAPSA-N 444.531 5.158 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](Cc1ccccc1)c1ccccc1F 539361149 KBGVUXAFOLJXOC-DVECYGJZSA-N 447.579 5.590 30 20 IKED Cc1ccc([C@H](N[C@H](C)c2ccc(C#N)c(F)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 540706479 BCXBAPXZUVXIGD-IQGLISFBSA-N 436.552 5.158 30 20 IKED CCOc1cc(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c([N+](=O)[O-])cc1OC 541070652 SOTWOJUCCJPLKH-MRXNPFEDSA-N 445.475 5.032 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccnc(C4CC4)c3)s2)c(C(F)(F)F)c1 543093390 AXCGMSHJHXASGV-UHFFFAOYSA-N 428.439 5.149 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)NCc1ccc(CC#N)cc1 543498462 CJTDGVFLLJAPGK-AWEZNQCLSA-N 426.383 5.798 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ncoc1-c1cccc(C(F)(F)F)c1 544049368 GMTANMCBFRYHBP-UHFFFAOYSA-N 431.370 5.097 30 20 IKED O=C(CC(F)(F)F)Nc1ccc(NC(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 548954951 STMSCFRRUFYYOM-UHFFFAOYSA-N 438.409 5.016 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(OCC2CC2)CC1 549723991 MEUQJDDVMOOFPH-KRWDZBQOSA-N 430.980 5.043 30 20 IKED CCc1c(C)sc(NC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1C#N 551098202 ZZMKOWVFBHDCLQ-UHFFFAOYSA-N 443.528 5.670 30 20 IKED Cc1nc([C@H](NC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccc(Cl)cc2)no1 554212991 PQUTYHYYOCWMTL-ORAYPTAESA-N 441.944 5.194 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@H](CCCc2ccccc2)c2ccccc2)CC1 554594434 JEVPUHPCBWLLKB-RUZDIDTESA-N 438.575 5.413 30 20 IKED CC(C)[C@H](c1ccccc1)N(C)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 558402039 YQVHNSJJGAABAB-XMMPIXPASA-N 427.504 5.145 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(c2ncccc2Cl)CC1 559030762 JSXJIYPHOIMZGZ-UHFFFAOYSA-N 444.970 5.502 30 20 IKED O=C(Nc1cc(F)c(OC(F)F)cc1F)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 564158045 YMPOYHFIRZAVIQ-UHFFFAOYSA-N 433.283 5.023 30 20 IKED CC1(C)CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)[C@H]1[C@H]1CCCO1 571206380 QLOKVQIYPNLTEK-RTWAWAEBSA-N 425.916 5.425 30 20 IKED CSCc1cccnc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 576391977 WALWNAYXADHEQD-AWEZNQCLSA-N 434.373 5.865 30 20 IKED C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H](CC(F)(F)F)C1 580881526 XDRTZHRSBWKWTO-ZDUSSCGKSA-N 429.284 5.062 30 20 IKED CC(C)(C)c1ccc(-c2nnc(Sc3cc(C#N)ncn3)n2Cc2ccccc2)cc1 583477689 CQZIPOMUOXSCEZ-UHFFFAOYSA-N 426.549 5.104 30 20 IKED Cn1c(-c2ccc(COc3ccc4ccccc4c3)cc2)nnc1N1CCC(CC#N)CC1 584794127 CVEZJYMYWJAPJT-UHFFFAOYSA-N 437.547 5.344 30 20 IKED Cc1ccc(Sc2ccc(NC(=O)N3CCN(c4ncccc4C#N)CC3)cc2)cc1C 603649513 LLQIMICFGCVUFS-UHFFFAOYSA-N 443.576 5.075 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(Sc2nncs2)cc1 606770978 JQQIPAFTDTULHF-UHFFFAOYSA-N 437.468 5.525 30 20 IKED COc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c(C(F)(F)F)c1 608841303 ZMBLSDWUKMNTFH-UHFFFAOYSA-N 442.397 5.095 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cn(C)nc2C2CCCCC2)cc1 608848047 UDVLZJFSISFXHP-UHFFFAOYSA-N 430.508 5.393 30 20 IKED COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609046670 IKNIPMLVAADGFM-VWNXMTODSA-N 445.950 6.373 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccn(-c2cccc(F)c2)n1 609061074 QJGAHZXHKGWLMM-UHFFFAOYSA-N 426.451 5.023 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccco1)C[C@H]1CCCO1 609079281 TZECPOZSMQPHEJ-XMMPIXPASA-N 445.519 5.252 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](COc1ccccc1)c1ccccc1 609401911 JVFBQTPENGBUMN-WMZHIEFXSA-N 431.561 5.880 30 20 IKED Cc1nc(CN2CCC(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)cs1 609460211 UEVNJLCXCDMNOM-UHFFFAOYSA-N 446.576 5.275 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(-c4n[nH]c(C5CC5)n4)cc3)c2)cc1 609643702 DNYPGVZIDLPVMQ-UHFFFAOYSA-N 435.487 5.052 30 20 IKED C[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccc2nc(O)[nH]c2c1 609730292 YSYOCNLUMFCAJO-CYBMUJFWSA-N 432.867 5.077 30 20 IKED CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 609987288 PYAHTCSQVWNDEU-UHFFFAOYSA-N 438.409 5.531 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(-c4nnc5n4CCCC5)cc3)c2)cc1 609989517 HLGUTBHQHHXUJA-UHFFFAOYSA-N 434.503 5.149 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)c1C 610053767 NKECCGWUFDANET-RBUKOAKNSA-N 425.319 5.410 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCC2(c3cccc(F)c3)CC2)cc1 610104820 VUBRJKZHSRGEIT-UHFFFAOYSA-N 431.486 5.280 30 20 IKED N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)ccc1OCC(F)(F)F 610153177 UYRCAHNIADZPJJ-LSDHHAIUSA-N 444.331 5.140 30 20 IKED CSc1cccc([C@@H](NC(=O)N[C@@H](C)c2cccc(C#N)c2)c2ccc(F)c(F)c2)c1 610355244 LXEBIQKFYFEMFE-NPMXOYFQSA-N 437.515 5.708 30 20 IKED C[C@@H](NC(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1)c1cccc(C#N)c1 610355817 ZGUGADIUTNGREC-OPAMFIHVSA-N 434.337 5.471 30 20 IKED N#Cc1ccc(CNC(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cc1Cl 619817287 DETKEOSSMXDGSH-LJQANCHMSA-N 440.931 5.351 30 20 IKED O=C(c1ccc(-c2ccccc2C(F)(F)F)o1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 682749796 KUKHIGBQQGSEEW-RYUDHWBXSA-N 445.281 5.778 30 20 IKED O=C(c1cc(Cl)cc(Br)c1F)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 683446629 WGAHVWQYCMTORC-OCAPTIKFSA-N 442.556 5.054 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4cccc(C(F)(F)F)c4)CC3)n2)cc1 727626862 HTLMMYAAMAHQLC-GOSISDBHSA-N 426.463 6.045 30 20 IKED COc1ccc(NC(=O)/C=C/c2ccccc2C#N)cc1OCc1ccc2ccccc2n1 728009097 OLEHIDQDGSGPTG-RVDMUPIBSA-N 435.483 5.346 30 20 IKED COc1ccc([C@@H](Nc2snc(Cl)c2C#N)c2ccccc2)cc1Br 728569460 UOQBYZKMCBBARM-INIZCTEOSA-N 434.746 5.641 30 20 IKED O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)OCc1nccn1CC(F)(F)F 728621232 KKBUXHMTYHFPPM-OWOJBTEDSA-N 446.269 5.240 30 20 IKED COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 729035050 XMDIMRFWHMFTIV-AWEZNQCLSA-N 437.883 5.601 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)OCc2csc(-c3ccccn3)n2)cc1 730376412 WQIJEHFPXOAIOG-UHFFFAOYSA-N 431.448 5.365 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc2nc(C(F)F)[nH]c2c1 732494817 NZZRTRGQNDXUAJ-INIZCTEOSA-N 446.413 5.254 30 20 IKED C[C@H](Oc1ccc(F)cc1Cl)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 733679661 LBQCLYWOPKFQTA-NHYWBVRUSA-N 435.307 5.900 30 20 IKED C=CC[C@@H](NC(=O)N(C)Cc1ccc(OCc2ccccc2)c(OC)c1)c1ccncc1 734681345 ZSNFVKCSIHWVFB-HSZRJFAPSA-N 431.536 5.128 30 20 IKED Cc1ccc(-c2nc(CC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)cs2)cc1 739595011 CCFZKQDNMZXDNT-UHFFFAOYSA-N 429.570 5.578 30 20 IKED CC(C)CC(=O)Nc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1F 741904311 WUCMYOMBBVYBHS-QFIPXVFZSA-N 429.495 5.718 30 20 IKED O=C(O)COc1ccc(/C=C\C(=O)c2cc(Cl)sc2Cl)cc1Br 742431912 OXYGVRDSHNOUCK-IWQZZHSRSA-N 436.110 5.177 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 744029357 RLKDYABVNMAZPG-JOCHJYFZSA-N 442.559 6.330 30 20 IKED C#CCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 744034773 GFHPNBGISCUBDX-KRWDZBQOSA-N 427.312 5.619 30 20 IKED C[C@@H](Oc1cccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1)C(=O)O 745021488 PQPIFTWECGHRGO-LPDYGMJQSA-N 449.890 5.340 30 20 IKED COc1cccc(/C=C\C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)c1OC(C)C 749005501 KTKLWSUFUXMSDI-SSZFMOIBSA-N 428.550 5.095 30 20 IKED C#CC[C@H](OC(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1)C1CC1 750773892 BRHYFENLNCKCOC-KSSFIOAISA-N 438.574 5.031 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)c(Cl)c1 754418082 XZMALMDOXIUJGZ-UHFFFAOYSA-N 426.756 5.324 30 20 IKED CCCC[C@@H](ON=C(C)C)C(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 757986153 QZVOSTFRXUWEDZ-PKOBYXMFSA-N 432.952 5.067 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c(C(F)(F)F)ccnc2Cl)cc1 758805822 LHJXWESRAIPGMR-UHFFFAOYSA-N 447.800 5.679 30 20 IKED COc1ccc(C(=O)/C=C\c2cc(Br)cc(C(F)(F)F)c2)cc1NC(C)=O 759085228 UCKOIUOIUDOYBQ-HYXAFXHYSA-N 442.231 5.331 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 760802048 ZBFRTNLMHLALEQ-OAQYLSRUSA-N 445.277 5.794 30 20 IKED C=CCn1c(-c2ccccc2C)nn(CN2CC[C@@H](COCc3ccccc3)C2)c1=S 765038794 XRQHFAFTVHVAAR-JOCHJYFZSA-N 434.609 5.072 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(Sc2ccccn2)o1 766430233 AUIAGKDCLNXNPQ-UHFFFAOYSA-N 444.541 5.455 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(OCc3ccccc3F)cc2)c1 766613901 GKZIIBYYODMJOL-QFIPXVFZSA-N 447.510 5.085 30 20 IKED CCc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cnn1-c1ccc(OC)cc1 769863213 QYKNYYMBYZCPDC-DEOSSOPVSA-N 436.515 5.351 30 20 IKED C=CCOc1ccc(/C=C/C(=O)N2CCC(c3nc4cccc(C)c4o3)CC2)cc1OC 781838544 WAFWSPSLEGMWPW-PKNBQFBNSA-N 432.520 5.129 30 20 IKED C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)cc1 785221258 HTEOVJVCKJMCAN-MSOLQXFVSA-N 445.544 5.408 30 20 IKED CCc1cccc2c(CC(=O)[C@H](C#N)C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)c[nH]c12 787047057 AHIFJPRBAWCNGQ-YJYMSZOUSA-N 442.346 5.166 30 20 IKED CCNC(=O)Nc1cccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1C 788724999 GITCWGKJAPELHD-UHFFFAOYSA-N 433.537 5.058 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 796633174 YOISRPMAJUTPLC-INIZCTEOSA-N 445.878 5.096 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(Cl)cc3)c2)cc1OC 796743856 HAGROCPYBXNHMT-KRWDZBQOSA-N 440.908 5.047 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(-c2cccc3cccnc23)cc1 796779226 KNHCCOKFXHKIFM-JOCHJYFZSA-N 425.875 5.516 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCCCC1(C#N)CCOCC1 800150031 YKDSWFZIMOQONP-INIZCTEOSA-N 448.972 5.260 30 20 IKED N#C[C@@H](C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 802045813 QYKAOCGFPYPKFU-WFASDCNBSA-N 446.347 6.221 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(Br)ncc1Cl 806576634 FFDDLWCTCZPESB-UHFFFAOYSA-N 442.700 5.722 30 20 IKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1ncc(-c2ccccc2)s1 811632572 UZDRASCMSCXLGR-UHFFFAOYSA-N 427.558 5.317 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(N2CCCOC2=O)cc1 814635503 COVAOCULCGEMRM-IAGOWNOFSA-N 438.553 5.310 30 20 IKED N#CCSc1ccccc1C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 844780564 VCUYPOFSYMEART-UHFFFAOYSA-N 434.373 5.909 30 20 IKED N#C[C@H](N/C=C1/C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)c2ccccc21)c1ccccc1 912753050 LLWDIBUPVPFJHW-VAZXNAHHSA-N 447.416 5.088 30 20 IKED COc1ccc(-n2c(-c3ccccc3)nn(CN(C)Cc3ccc(C#N)cc3)c2=S)cc1 914783293 RPKPKYQYLDCYAU-UHFFFAOYSA-N 441.560 5.040 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=NNc1ncccc1C(F)(F)F 915050207 GPTATUYUKVVJFR-UHFFFAOYSA-N 428.245 5.406 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1 915087952 DVZFBYKJMLEKGG-XMMPIXPASA-N 448.526 5.031 30 20 IKED CCOc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cs2)cc1 915101991 MEYFGSIGZNJNNI-HXUWFJFHSA-N 445.569 5.751 30 20 IKED COc1cc(/C=C/C(=O)c2scnc2C)ccc1OCC(=O)Nc1ccccc1Cl 915988339 UQLXRFKPLARGLT-VQHVLOKHSA-N 442.924 5.027 30 20 IKED Cc1cc(SCC(=O)[C@@H](C#N)c2nc3ccccc3s2)c(C)cc1Br 916627285 KTMJWOAZSZFKLL-CYBMUJFWSA-N 431.380 5.644 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(CSc3nc(C)cs3)cc2)cc1 916910833 CFCVRHUUYWWTDK-HXUWFJFHSA-N 435.574 5.267 30 20 IKED C=CCn1c(SC[C@@H](O)c2cccc(F)c2)nc2scc(-c3cccs3)c2c1=O 916976661 WKLXWSNGJROUNJ-MRXNPFEDSA-N 444.578 5.337 30 20 IKED N#C[C@@H](C(=O)CCCOc1cccc(F)c1)C(=O)Nc1ccccc1Oc1ccccc1 918486990 HZFIXKAODGHFJL-NRFANRHFSA-N 432.451 5.125 30 20 IKED O=C(/C=C\c1csc(COc2ccc(Cl)cc2)n1)c1ccc(N2CCOCC2)cc1 918712740 FCCILNOMPYGKBZ-YHYXMXQVSA-N 440.952 5.108 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@H](C)c3ccc(C)cc3)CCC2)cc1 1786370226 ZFKIIROTTKAVMK-OAQYLSRUSA-N 434.580 5.215 30 20 IKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H](S)C(C)C)cc3)CCC2)cc1Cl 1786395865 LNQFTKUPQRMOEQ-HXUWFJFHSA-N 447.000 5.051 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)no3)cc2)CCC1 1789783982 JAMQFKRMHGODQT-SFHVURJKSA-N 429.520 5.302 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccccc4Cl)cc3)CCC2)cc1 1790225656 IKFDRXYKOOEPRZ-UHFFFAOYSA-N 443.934 5.468 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)COc3ccccc3F)cc2)CCC1 1791368006 NNOYVPFDDOAOFJ-OAQYLSRUSA-N 436.527 5.107 30 20 IKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c3ccccc3n3ccsc13)C2 1793051625 VGKIXQQDZADGNC-ACDBMABISA-N 447.604 5.174 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c3cc(Cl)ccc13)C2 1798592867 MQJDKHYPQRGMRP-BCDXTJNWSA-N 427.976 5.066 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(Cl)cc2)n[nH]1 1816934299 XOCNYGHXQSMOIM-FPOVZHCZSA-N 440.975 5.066 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3occc3c2)n[nH]1 1818705650 BBUFANZREWMQAM-FPOVZHCZSA-N 432.524 5.230 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2C2CC2)[nH]n1 1819310847 BZSHWZXWZMGRSV-WMZHIEFXSA-N 432.568 5.361 30 20 IKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)[nH]n1 1822581393 RNNRQBHCFXGALW-IBGZPJMESA-N 447.366 5.216 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 1824145228 WBIHMYYZKSNNST-OCFYOKIWSA-N 426.645 5.201 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccccc3n2C)CC1 1827995284 ROUVWMGAKADYLQ-NOZRDPDXSA-N 447.623 5.180 30 20 IKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(C)C)cc2)CC1 1830055446 RERVVLQILBDRSH-RUZDIDTESA-N 440.628 5.026 30 20 IKED Cc1cc(C)c(N/C(S)=C(\C(=O)c2ccc(C)s2)[n+]2cccc(CO)c2)c(Cl)c1 22732832 OGYRWCMVDSBQFC-UHFFFAOYSA-O 446.017 5.157 30 20 IKED C=C(C)CN/C(S)=C(/C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(Cc2ccccc2)cc1 22798174 MFPRUFDPLFNUPZ-UHFFFAOYSA-O 441.620 5.158 30 20 IKED CCn1c(SCC(=O)N(C)C2(C#N)CCCCC2)nnc1-c1ccc(C(C)(C)C)cc1 23427351 ZRXXMBSSEIYMMT-UHFFFAOYSA-N 439.629 5.039 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(OCc2cscn2)c1 46879833 ZCLXPVZNGHAMDZ-UHFFFAOYSA-N 442.500 5.342 30 20 IKED C[C@H](COCC(F)(F)F)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 65415289 ORVNAKCFNFUTHX-GFCCVEGCSA-N 427.810 5.093 30 20 IKED N#Cc1cccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)c1 97549770 ITXJGPAGAMGFOQ-BUHFOSPRSA-N 443.462 5.413 30 20 IKED Cc1nc(NC(=O)c2ccccc2OCc2ccccc2Cl)sc1SCC#N 107899733 UPSLUFHBWFNYHS-UHFFFAOYSA-N 429.954 5.552 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2sc(-c3ccc(F)cc3)nc2C)cs1)C1CC1 217203094 SZTVZKQOGKEFLV-JXMROGBWSA-N 427.526 5.126 30 20 IKED CCN(C(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C)[C@@H](C)c1ccc(C#N)cc1 303652999 URJBJGZEJKKNGP-HNNXBMFYSA-N 428.458 5.731 30 20 IKED Cc1nc2cc(C(=O)N[C@@](C)(C#N)CCc3ccccc3)ccc2n1Cc1ccsc1 409540311 ANLIICDOPDZCBS-RUZDIDTESA-N 428.561 5.099 30 20 IKED C[C@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@@H](c2ccccc2)O1 409782896 ZZGOQBVROHLFCW-FNZWTVRRSA-N 441.531 5.326 30 20 IKED CC(C)CCN(CCC#N)C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 428893259 UKYDIVQVGJDMCW-XMMPIXPASA-N 432.568 5.458 30 20 IKED O=C(NC[C@H]1CCC(F)(F)C1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 431105943 CTYAMXCROMCQSP-JTQLQIEISA-N 441.322 5.075 30 20 IKED N#CCCC[C@H](NC(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21)c1ccccc1 431877826 MGGLYIWBZPZHEZ-LOSJGSFVSA-N 425.532 5.912 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ccc(OC(F)F)cc1OC(F)F)c1ccccc1 432652463 HMJACUOTPRFCFD-HNNXBMFYSA-N 425.382 5.446 30 20 IKED Cc1c(C#N)cccc1NC(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 432830160 SKJMTEBMLOZOHG-UHFFFAOYSA-N 448.320 5.063 30 20 IKED N#Cc1cc(F)ccc1NC(=O)CC1(CC(=O)Nc2ccc(F)cc2C#N)CCCCC1 433967859 GAWOWBQPQMKZSS-UHFFFAOYSA-N 436.462 5.016 30 20 IKED N#C[C@@H](C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1nc(-c2ccccc2)cs1 434619822 GMJBXTISRIHECH-KRWDZBQOSA-N 433.439 5.766 30 20 IKED O=C(CN[C@H](c1cc(F)ccc1F)C(F)F)Nc1cc(C(F)(F)F)ccc1Cl 434684997 NXLVUQCEOXLZSC-OAHLLOKOSA-N 428.735 5.172 30 20 IKED CCn1c(NC(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)nc2cc(C#N)ccc21 436048924 IICQSPBBEKLPAF-UHFFFAOYSA-N 440.894 5.172 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nc(-c2cccc(F)c2)no1 438067234 UJQFKWQGJQCOBR-HNNXBMFYSA-N 443.438 5.422 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1)c1ccc(C#N)cc1 438813381 XHARYJIONWLBIF-ZWKOTPCHSA-N 429.545 5.227 30 20 IKED CN(C(=O)c1ccc(OCC(F)(F)C(F)F)nc1)c1ccc(C(F)(F)F)cc1Cl 439120621 VLZYBIMJRRLPGM-UHFFFAOYSA-N 444.734 5.310 30 20 IKED CCSc1cccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 440350876 CEADSGXWFADTDJ-NRFANRHFSA-N 449.963 5.685 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccc(OC)c(NC(C)=O)c1)c1ccc(C(F)(F)F)cc1 442186180 DABVLTBWRASJJP-SFHVURJKSA-N 435.446 5.501 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1C[C@@H](n2cccn2)Cc2ccccc21 443932584 ZLBFHRHVVCCCHG-NRFANRHFSA-N 436.540 5.350 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)c1nc(Cc2ccc(F)cc2)no1 445588196 KCVDISCVVHLWTH-INIZCTEOSA-N 435.528 5.021 30 20 IKED Cc1sc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1-c1ccc(F)cc1 446185693 BINXGEFMLACNPQ-UHFFFAOYSA-N 425.369 5.820 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1Cl 448379097 XYALPYMFNQCVRE-RZPHLTDDSA-N 448.998 5.476 30 20 IKED C=CCN(Cc1ccccc1)C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 468333217 WYWBHLOOKBDXDA-UHFFFAOYSA-N 430.335 5.581 30 20 IKED N#Cc1cc(Br)ccc1OCC(=O)Nc1c(Cl)cccc1C(F)(F)F 468751711 ACKMVFHFWQWUDE-UHFFFAOYSA-N 433.611 5.010 30 20 IKED CN(Cc1ccc(Br)c(F)c1)C(=O)c1cn(CCCC#N)c2ccccc12 469841104 AQOYIQOLDLASLM-UHFFFAOYSA-N 428.305 5.119 30 20 IKED C=CCn1c(SC[C@H](O)CC(F)(F)F)nc2scc(-c3ccc(C)cc3)c2c1=O 470032510 LUQZLSMDUDCYOW-CQSZACIVSA-N 440.512 5.025 30 20 IKED COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 470501557 YNRWLHPFBKLIJC-LRQRDZAKSA-N 427.932 5.057 30 20 IKED CC(C)c1ccc(C[C@@H](C)NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 470549329 MWDITZRFWQWCBW-LJQANCHMSA-N 432.568 5.146 30 20 IKED COc1cc(CN(C)C(=O)c2ccc(C(C)(C)C#N)cc2)ccc1OCc1ccccc1 474286679 DKLQVAIPPSBBQJ-UHFFFAOYSA-N 428.532 5.348 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1)c1nc(-c2ccncc2)cs1 474968136 NBBNGDYUVZWJAJ-HNNXBMFYSA-N 439.418 5.974 30 20 IKED O=C(Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1ccc(F)cc1C(F)(F)F 477700690 WXRUXJHONZRULF-UHFFFAOYSA-N 434.336 6.239 30 20 IKED C=C(C)[C@H](NC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C)c1ccc(F)c(F)c1 477739920 GLQBMVILPGRWFT-VQTJNVASSA-N 430.886 5.058 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(CC)cccc2CC)nnc1-c1ccc(C)cc1 481341168 HNZCGHVPAMDQDL-GOSISDBHSA-N 434.609 5.684 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)nnc1-c1ccncc1 481350223 SYYCCJFYNJODFC-IBGZPJMESA-N 449.624 5.084 30 20 IKED C=CCn1c(SCc2nc(-c3ccc(F)c(C)c3)no2)nnc1-c1ccccc1F 481395721 BFKULXOFSVOGEG-UHFFFAOYSA-N 425.464 5.060 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCc3c(Cl)cc(Cl)cc3C2)cc1 482923298 ATPGTTASVSQKRG-UHFFFAOYSA-N 444.362 5.398 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(CCO)Cc1cccc(Br)c1 487088151 QLNJMSSKSAMOGJ-UHFFFAOYSA-N 431.374 5.327 30 20 IKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)[C@H](Oc1ccccc1C#N)C(C)C 487803461 IGICYKJJISBAPU-XMMPIXPASA-N 427.504 5.161 30 20 IKED N#Cc1cc(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cnc1C(F)(F)F 497920414 DEIIJHVXLKXRMY-ZDUSSCGKSA-N 441.253 5.024 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl 498032859 YQMHPLCAILTZMN-LLVKDONJSA-N 431.772 5.041 30 20 IKED Cc1c(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)cccc1C(=O)Nc1ccccc1 498465092 RFYCOAJARLGHSO-XMMPIXPASA-N 427.504 5.161 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NC3(Cc4ccc(F)cc4)CCOCC3)c2)cc1 499178162 ACPWNZVJYZCBMM-UHFFFAOYSA-N 430.479 5.011 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)c1 502617537 POTKKHMGLZSYND-IBGZPJMESA-N 429.904 5.224 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H](c3ccccc3)c3cccnc3)c2)cc1 503290098 JSNDYZRLYFINEE-MHZLTWQESA-N 448.526 5.638 30 20 IKED CC[C@H](CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(OC)cc1 503351711 YXTFUUDXNCKGCP-QGZVFWFLSA-N 438.578 5.233 30 20 IKED COc1ccc([C@H](CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1 505316844 DXIFHYOMTGIZRW-UUOWRZLLSA-N 438.531 5.240 30 20 IKED CCOCCOc1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 505703694 UPOQVSKZWLXVQP-UHFFFAOYSA-N 432.476 5.027 30 20 IKED Cc1cc(Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)n2c(nc3ccccc32)c1C#N 505779265 WGHJVCWFINGHQH-UHFFFAOYSA-N 444.498 5.009 30 20 IKED Cc1cccc(OC[C@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 506342288 SNCVDXUWFFKVIK-FQEVSTJZSA-N 429.520 5.229 30 20 IKED C[C@@H](SCCCC1(C#N)CCOCC1)c1nc(O)c2c(-c3ccco3)csc2n1 507722744 KDUWBYDEIVRDSB-CQSZACIVSA-N 429.567 5.552 30 20 IKED CN(Cc1ccccc1N1CCCC1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 510674262 ICHATIUMDLOEIK-UHFFFAOYSA-N 426.520 5.615 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1ccc(Br)s1 510785925 AAKQPTASQKMKCM-UHFFFAOYSA-N 447.167 5.170 30 20 IKED Cc1nc(Cc2ccccc2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 512498106 GANJKAUATYNTAQ-LJQANCHMSA-N 440.553 5.528 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1 512535155 CLBNQSRHLOLUHK-JKRLWXMKSA-N 432.520 5.019 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@@H](C#N)c1ccc(F)cc1 513007218 LDBAIZQAYULLGX-UGSOOPFHSA-N 429.904 5.137 30 20 IKED Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)[C@@H](C#N)c2nc3ccccc3n2C)cc1 513681340 AHKIAVJSVJMWPW-JOCHJYFZSA-N 445.526 5.284 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccccc3)C3CC3)cc2Cl)cc1 515899512 WCVUSISUXHZFAQ-QHCPKHFHSA-N 445.906 5.210 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1)c1nnc2n1CCCCC2 517386981 XNCNAHPRNMIIQW-HNNXBMFYSA-N 446.454 5.122 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 518222043 VYCMGQOKQIYUBK-HXUWFJFHSA-N 429.442 5.937 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1 520154679 OTXDCDPRLCLMSG-KRWDZBQOSA-N 433.474 5.428 30 20 IKED C=CCn1c(SCc2cc(OC)ccn2)nc2scc(-c3cccs3)c2c1=O 520725046 BJYRQJSYUPKBNF-UHFFFAOYSA-N 427.576 5.068 30 20 IKED Cc1sc2ncnc(SCCC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)c2c1C 521756049 XUIZZXWIPHWWBF-UHFFFAOYSA-N 438.622 5.347 30 20 IKED N#Cc1ccccc1COc1cccc(CNCc2ccnc(OCc3ccccc3)c2)c1 521817739 ORLIWYPLRFMDJG-UHFFFAOYSA-N 435.527 5.401 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1cccc(N2CCCC2)c1 522039137 HHMUVMGNXNTZLY-GOSISDBHSA-N 427.508 5.228 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(NC[C@@H]4CCCO4)c(F)c3)c2)cc1 523514079 OWDYKLRBQMQVAZ-QFIPXVFZSA-N 431.467 5.333 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3C[C@@H]3c3ccccc3OC(F)(F)F)s2)cc1 524914576 STIOESGKGCNCBR-MSOLQXFVSA-N 443.450 5.246 30 20 IKED Cc1c(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)oc2c(Br)cccc12 527186711 OFLAAJKWFYJOFP-UHFFFAOYSA-N 439.309 5.059 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1Cl 534193110 TWEMDZGHFVJUPZ-MRXNPFEDSA-N 441.796 5.908 30 20 IKED COC(=O)[C@@H]1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c2ccccc21 535467207 CCDGBYISBBAKNQ-OAQYLSRUSA-N 446.890 5.311 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 538979364 DPZHKAAMFRPWPA-HSZRJFAPSA-N 449.535 6.238 30 20 IKED Cc1noc(-c2ccc(C)c(NC(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)c2)n1 541088680 OFZYVJYGPOOOAE-QGZVFWFLSA-N 437.503 5.775 30 20 IKED O=C(N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)c1ncccc1C(F)(F)F 541112571 SVFPBRSDHLCMQN-LBPRGKRZSA-N 432.242 5.032 30 20 IKED Cc1ncc(C(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c(C)n1 541226351 BMBDGXQVPSJGTF-ZDUSSCGKSA-N 445.285 5.164 30 20 IKED N#Cc1cc(C(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)ccc1Cl 542528179 PQCGBXAZKWBDIP-UHFFFAOYSA-N 435.270 5.853 30 20 IKED N#C[C@H](C(=O)c1ncccc1C(F)(F)F)c1nc(-c2ccc(Cl)cc2Cl)cs1 542648657 MITMBKOGDKWMFI-LLVKDONJSA-N 442.249 6.021 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCO[C@H](c4ccc(F)cc4)C3)cc2)cc1 543564902 WBAZCUQGUPREDW-QPPBQGQZSA-N 431.467 5.531 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@@H](c2ccc(F)cc2)c2ccccc2Cl)CC1 548900519 OZDHDOZIGSGKCX-QHCPKHFHSA-N 448.929 5.230 30 20 IKED C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC(c2c[nH]c3ccc(OC)cc23)CC1 549634268 MANONILKUUCIGG-UHFFFAOYSA-N 445.567 5.106 30 20 IKED C[C@@H](Cc1cncc2ccccc12)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 553955586 LQQRIVNRMQQFOH-FQEVSTJZSA-N 435.527 5.697 30 20 IKED CCC(CC)(C(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(Cl)c(Cl)c1 554537118 VJQYWJUCDAADJE-UHFFFAOYSA-N 430.379 5.530 30 20 IKED C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 555249072 FFMXIDXUQRENCJ-OAHLLOKOSA-N 433.959 5.015 30 20 IKED C=CCSc1ccccc1C(=O)Nc1nnn(Cc2ccc(C(F)(F)F)cc2)c1C 558905094 KLSYPHUOCKUAFX-UHFFFAOYSA-N 432.471 5.184 30 20 IKED COC(=O)[C@H](NC1(c2nc(-c3ccccc3F)c(C)s2)CCC1)c1cccc(C#N)c1 559480188 WDOLLQVMIVNHRA-OAQYLSRUSA-N 435.524 5.012 30 20 IKED CC(=O)CCc1ccc(O[C@H](C)C(=O)N(Cc2ccccc2)c2ccccc2C#N)cc1 561553985 DFNLCVUCKBMUFB-OAQYLSRUSA-N 426.516 5.081 30 20 IKED CCc1nn(-c2ccccc2)c(CC)c1CNCc1cn(CCC#N)nc1-c1ccccc1 562942501 GBHHAIYLDCBHRQ-UHFFFAOYSA-N 438.579 5.064 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1 565508322 QFEFPFKRLXYZEY-UHFFFAOYSA-N 427.338 5.530 30 20 IKED Cc1sc(C2(NC(=O)c3cc(C#N)ccc3Cl)CCC2)nc1-c1ccccc1F 576307788 ZVNQWTSVHXOCAY-UHFFFAOYSA-N 425.916 5.592 30 20 IKED COc1ccccc1[C@@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)OC(C)C 581755970 NQQZAIHTZMRVAY-XMMPIXPASA-N 446.507 5.042 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2ccccc2C(F)(F)F)cc1 589722539 BYQGBNAABRQUPI-FQEVSTJZSA-N 431.458 5.380 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1 592726616 GVJXJSKXQRSAHX-UHFFFAOYSA-N 428.463 5.225 30 20 IKED Cc1ccc(-c2nc(CC(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cs2)cc1 603623938 PYADBMUJTXWROB-UHFFFAOYSA-N 426.501 5.359 30 20 IKED CCCc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cnn1Cc1ccccc1 603740194 VSJGCXXLYDFCEU-UHFFFAOYSA-N 437.503 5.195 30 20 IKED CC(C)c1noc(-c2ccc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)cc2)n1 609061500 SVMHPUXATHDJOI-UHFFFAOYSA-N 438.487 5.563 30 20 IKED C[C@H](C#N)CSc1ccccc1NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 609384762 RAHBTGNVOLKGSQ-GFCCVEGCSA-N 427.879 5.661 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F 609434761 OUAXUTYIQVSMLS-KBPBESRZSA-N 429.496 5.708 30 20 IKED CCCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H](C)c1cc2ccccc2o1 609501829 FDGPUZUHTXJYIU-SFHVURJKSA-N 425.488 6.105 30 20 IKED Cc1ccc(C[C@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c2ccccn2)cc1 609686776 DASWGAUMEGUDLA-VWLOTQADSA-N 449.514 5.555 30 20 IKED CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 609811191 TUJQSYTYGSGNIG-GCJKJVERSA-N 442.629 5.116 30 20 IKED C[C@@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1cccc(F)c1 610224224 JPJGTVNUNCWOOH-GFCCVEGCSA-N 433.430 5.506 30 20 IKED N#CCn1c(C(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)cc2ccccc21 610763711 MLZSWGROAAYRNX-UHFFFAOYSA-N 442.346 5.293 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc(F)c(F)cc3Br)cn2)cc1 610999983 RQVBUZKRKOVGRP-UHFFFAOYSA-N 430.208 5.039 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](Cc3ccncc3)C2)cc1Cl 611815227 CNWGTNHJVFYEJJ-WMZHIEFXSA-N 430.939 5.487 30 20 IKED C[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1cccc(NC(=O)Cc2ccccc2F)c1 614179113 CSTOMSSLAHKAAN-IBGZPJMESA-N 429.539 5.659 30 20 IKED Cc1ccc(-c2noc(CCCN3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)n2)cc1F 618448938 CUHUDRFXVUKJKD-OKILXGFUSA-N 439.375 5.179 30 20 IKED Cc1c(CNC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)oc2ccc(F)cc12 620090549 RFADKIQUIQCYHI-QWRGUYRKSA-N 426.332 5.153 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc(OC)c1C(C)C 679730783 YSWCNCZOEBTWEN-CQSZACIVSA-N 448.466 5.946 30 20 IKED Cc1ccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)N=C2SC[C@H](C#N)CCC#N)cc1 726798191 ZRLONIAEPDKEBY-SGSZHJQISA-N 442.588 6.039 30 20 IKED C[C@@H](/N=C1/NN=C(c2ccc3c(c2)CCC(=O)N3)CS1)c1ccc(Cl)cc1Cl 727172662 MIKZFTGKFUAPHF-LLVKDONJSA-N 433.364 5.036 30 20 IKED C#Cc1cccc(N(C(=O)[C@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)C(C)C)c1 728248593 XUWFKTWUOYUKPY-INIZCTEOSA-N 439.606 5.058 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 731071553 RUWAFNFCIOPEJQ-MRXNPFEDSA-N 449.576 5.655 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/COc3ccc(F)cc3C2=O)cs1 731565135 FYQGIGOMLLUFHT-JYRVWZFOSA-N 428.872 5.279 30 20 IKED O=c1c2c3c(sc2ncn1N=Cc1cccc(OCCCc2ccccc2)c1)CCCC3 731923430 LARNHHYDHQUHJY-UHFFFAOYSA-N 443.572 5.231 30 20 IKED C[C@H](COc1cccc(C#N)c1)OC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 733861182 LDGFSDUCXRJFDU-CYBMUJFWSA-N 432.423 5.325 30 20 IKED CC[C@H](Cc1cccc(Br)c1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 735400242 UIIVKZITQHKKFV-ZBFHGGJFSA-N 446.295 5.639 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCc4cccc(Br)c4C3)cc2)cc1 735743431 FDZOLQIENZMCCV-UHFFFAOYSA-N 448.320 5.703 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Cc3ccc(C(F)(F)F)cc3)n2)cc1 739160535 UDOHKUSTYZRZNX-IFXJQAMLSA-N 444.478 5.893 30 20 IKED C[C@H](C#N)Oc1ccc(CNCc2ccc(Oc3ccccc3C(F)(F)F)nc2)cc1 742379121 RHPXFACEIQOBQF-MRXNPFEDSA-N 427.426 5.473 30 20 IKED CSc1cccc([C@H](NCc2ccc(N(C)CCC#N)cc2)c2cc(F)ccc2F)c1 742384470 DMUDVVVVBJLLNB-VWLOTQADSA-N 437.559 5.916 30 20 IKED CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 743093368 SLHMMSLXSSNVHF-YIXXDRMTSA-N 438.575 5.328 30 20 IKED C[C@@H](/N=C1/NN=C(c2ccc(N3CCOC3=O)cc2)CS1)c1ccc(Cl)cc1Cl 743278081 ZLRDQSGOKMCSLH-GFCCVEGCSA-N 449.363 5.108 30 20 IKED COC(=O)[C@H](Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1Cl 743470180 YHSRAOJRMIAGPH-IFMALSPDSA-N 425.315 5.975 30 20 IKED C/C(=C\C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1 744031282 VJZKJKQXLGAAOB-XKOZXHHJSA-N 441.236 5.763 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)c1 744935951 KGBJRQVKLFVOCQ-CQSZACIVSA-N 430.316 5.387 30 20 IKED C[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1cccc(-n2cccn2)c1 745834748 MFTMEULFRFJHBF-QGZVFWFLSA-N 427.533 5.033 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccccc2Cl)cc1 747108423 OXCBGULQCIARTQ-OAQYLSRUSA-N 446.934 6.218 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccc(Cl)c(Cl)c1 747109721 DCRYRDPBBHBXCD-BLLLJJGKSA-N 426.328 5.969 30 20 IKED COc1ccc(/C=C(/Cl)c2ncc(-c3ccc(Cl)cc3)o2)cc1OCCCC#N 747361162 DDWUEVRFBKQCGT-LDADJPATSA-N 429.303 6.423 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cc1 747533491 KUAHCWPGZRRROG-CPJSRVTESA-N 444.604 5.437 30 20 IKED Cc1ccccc1-c1ccc(CN(C(=O)C(=O)Nc2cccc(OCC#N)c2)C(C)C)s1 748488522 XSQKRJPORQQYQU-UHFFFAOYSA-N 447.560 5.002 30 20 IKED C/C(=C\C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(Cl)c1 750571607 BFZNAUQEQJZXFQ-BMANGOCTSA-N 428.941 5.177 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1 751015904 ZBXQXTUOGUNVBE-UHFFFAOYSA-N 427.888 5.961 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@@H](CC)c2ccccc2OC(F)F)cc1C#N 752294152 FPHVCDMKDFHHCE-INIZCTEOSA-N 432.427 5.001 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(Cl)c(Br)c1 753533738 OLTOTGBYZDGBBV-OAHLLOKOSA-N 433.733 5.188 30 20 IKED Cc1ccnc(CON=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)n1 755801094 HAFLBNMBBYDJIH-UHFFFAOYSA-N 439.515 5.494 30 20 IKED COCc1cccc(/C=C2\CC(O)(C(F)(F)F)C/C(=C\c3cccc(COC)c3)C2=O)c1 764432901 OQBNIYOGZSITSV-XHQRYOPUSA-N 446.465 5.103 30 20 IKED C#CC[C@@H](NC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)c1ccccc1 766246688 CNHOXQVRLYXKIF-OAQYLSRUSA-N 435.886 5.618 30 20 IKED N#C[C@@H](C(=O)CN(Cc1ccccc1)Cc1ccccc1)c1nc2ccccc2n1C(F)F 766615995 IOYJOWZHLZCJAX-NRFANRHFSA-N 444.485 5.310 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cccc(-n2nc(C)c(CC)c2C)c1 766623137 OKGXYYUZOUVYSU-XMMPIXPASA-N 442.563 5.138 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)C1=Cc2ccccc2OCC1 775277487 FPZBOBXTHFISST-UHFFFAOYSA-N 446.528 5.011 30 20 IKED CC(C)(C)OC(=O)Nc1cccc2c1N(CC(=O)c1cn(CCC#N)c3ccccc13)CC2 775766775 DODCEQXEAYUTAA-UHFFFAOYSA-N 444.535 5.147 30 20 IKED COc1ccc([C@H](Cc2ccccc2C)N[C@H](C)c2ccc(OCC#N)cc2)cc1OC 776161423 WJBDXYBVWODDAM-NLFFAJNJSA-N 430.548 5.549 30 20 IKED C[C@H](OC(=O)c1ccccc1Oc1ccccc1C#N)C(=O)N1CCC[C@H]1c1cccs1 778180217 BWOAHYQVMCODRC-PXNSSMCTSA-N 446.528 5.321 30 20 IKED Cc1ccc2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)c2c1 780326750 BMXYVHWVTNZTKQ-QFIPXVFZSA-N 446.535 6.219 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(CC2CC2)C(=O)N[C@@H]1c1cnc(-c2ccco2)s1 783940141 RAXKVNARIJFVNQ-HXUWFJFHSA-N 437.496 5.019 30 20 IKED C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(Br)cc(F)c1O 786956541 GLFHQVTYXBSYND-ZDUSSCGKSA-N 446.320 5.050 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccnc(Oc3ccc(F)cc3F)c2)cc1 789405589 YUDOEUVZNXLTMK-YWZLYKJASA-N 449.457 5.627 30 20 IKED CC(=NNc1nnc(-c2ccccn2)s1)c1ccc(Br)cc1C(F)(F)F 790174939 UAPUPBFXGIAPEO-UHFFFAOYSA-N 442.264 5.218 30 20 IKED COc1ccc(Cl)cc1NC(=S)Nc1cccc(COc2ccc(CC#N)cc2)c1 792676421 IELPCMCGBDVJHT-UHFFFAOYSA-N 437.952 5.803 30 20 IKED C[C@H](Oc1ccc2ccccc2c1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 796636379 NSSDVZYEQUEJOO-SCLBCKFNSA-N 427.287 5.261 30 20 IKED COc1ccc(NC(=O)c2ccc(C)c(C#N)c2)cc1NC(=O)c1ccc(Cl)cc1F 799318237 AQAIRPLKIYMMOP-UHFFFAOYSA-N 437.858 5.172 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)NCC1CCC(C#N)CC1 799390218 UAXWIGGBQNFPEG-MYKUNDNFSA-N 426.561 5.040 30 20 IKED N#CCCN(Cc1ccco1)C(=O)N[C@@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl 806681971 RRKJLHGQQQBXRK-KRWDZBQOSA-N 439.730 5.298 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 808788521 ZSVLELLNVBISFJ-JSRBVGTNSA-N 445.588 5.084 30 20 IKED COc1cc(C=NNc2ccc(F)cc2Br)ccc1OCc1c(C)noc1C 812464250 FFTVFLCCMQUJMS-UHFFFAOYSA-N 448.292 5.227 30 20 IKED CC[C@@H](C#N)Oc1cccc(CN[C@@H](c2ccc(F)cc2)c2ccc(Br)o2)c1 815593645 SSMDZFGDYQWCFJ-AVRDEDQJSA-N 443.316 5.741 30 20 IKED C[C@H](OC(=O)c1cc2c(Cl)cccc2s1)C(=O)Nc1sc2c(c1C#N)CCC2 856300601 SSBJSWSLHGNSLI-JTQLQIEISA-N 430.938 5.161 30 20 IKED COC(=O)c1sc2ncc(C(C)=NNc3ncc(C(F)(F)F)cc3Cl)cc2c1C 914772452 XRWMSFOGDLAXCX-UHFFFAOYSA-N 442.850 5.295 30 20 IKED N#C[C@@H](C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2s1 916846198 LCLRBFFENKGDDV-GXMNPTEKSA-N 440.368 6.224 30 20 IKED COc1cccc(OCc2nnc(S)n2N=Cc2ccc(-c3ccc(C)cc3)s2)c1 920483128 WABMWNKBKNNYHC-UHFFFAOYSA-N 436.562 5.074 30 20 IKED Cc1cscc1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)ccc3F)CCC2)cc1 1788745809 HPMBPYPFURPUOO-UHFFFAOYSA-N 433.508 5.129 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc4cc(C)ccc4[nH]3)cc2)CCC1)C(F)(F)F 1788965992 FHUFDNCSAFOLSN-UHFFFAOYSA-N 441.453 5.343 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(OC)cc(OC)c3)CCC2)cc1 1789456018 IPMXJYBTMQLEDH-XMMPIXPASA-N 448.563 5.220 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4cccs4)on3)CCC2)cc1 1791250323 OIEUFSHRSKDZEP-INIZCTEOSA-N 435.549 5.363 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)o4)CCC3)cc2)c1 1792124032 ZBSLLMGXWQWPMV-INIZCTEOSA-N 447.922 5.622 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cccnc3C(C)(C)C)CC2)C1 1804859156 CPZNFASQOBSDBG-UHFFFAOYSA-N 439.644 5.216 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](CCC)n2cccc2)n[nH]1 1818055901 XWWVIBNHIKOAGM-YADHBBJMSA-N 437.588 5.013 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)[nH]n1 1821923717 NQHWMGVBCSEWHN-CXAGYDPISA-N 435.355 5.235 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc4ccoc4c3)sc2C1 1824063130 CEOHNTQGIKIIGL-KRWDZBQOSA-N 437.565 5.108 30 20 IKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccccc2Cl)CC1 1826570788 ONGGRBMFPSXADD-DEOSSOPVSA-N 443.031 5.086 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(OC)c2)CC1 1828827707 SMORPBRCQVDBKB-JWQCQUIFSA-N 438.612 5.005 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCn2cccc2)CC1 1829038948 ASTMUSXMPABRON-DQEYMECFSA-N 439.644 5.047 30 20 IKED CCC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)CCC1 1830721946 VOHQNXDMGIAPAB-JOCHJYFZSA-N 442.003 5.025 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(CCCCC)s2)CC1 1831141462 PTSPESVRTRWWON-FPOVZHCZSA-N 445.673 5.321 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cccc(Cl)c2C)c1 11258186 SUVNZEGEONXQHQ-UHFFFAOYSA-O 431.915 5.573 30 20 IKED N#Cc1ccc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)cc1 18486251 IPUBRYBGIKLROA-UHFFFAOYSA-N 444.947 5.493 30 20 IKED C=CCn1c(SCc2ccc(OC(F)F)c(OC)c2)nc2cc(Cl)ccc2c1=O 23011889 RGGMOMODFWHDQO-UHFFFAOYSA-N 438.883 5.138 30 20 IKED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(-c2ccc(OC)cc2)n1C1CCCCC1 23417864 BKCKVEWLQIRYFW-GOSISDBHSA-N 442.629 5.364 30 20 IKED C=CCN(C(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 26769952 XUVMSXKZPVPEDB-XYPWUTKMSA-N 449.403 6.031 30 20 IKED C=CCn1c(SCCCC#N)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 39565833 TZTDOSUYOVGEBB-UHFFFAOYSA-N 425.561 6.051 30 20 IKED Cc1nc(-c2ccccn2)sc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 61440336 FDOBNMCTMLHBEM-AWEZNQCLSA-N 436.606 5.850 30 20 IKED C[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1ccccc1OC(F)F 108417105 ZZCOMTNQDREYTD-INIZCTEOSA-N 437.446 5.178 30 20 IKED N#CCCCOc1cccc(/C=C2\CCC/C(=C\c3cccc(OCCCC#N)c3)C2=O)c1 207617803 WGWQFLMXAGXTGE-SIHVKLMXSA-N 440.543 6.272 30 20 IKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(SC(F)F)cc1 254702582 TYGMPHYMGNNLRQ-KRWDZBQOSA-N 447.532 5.148 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(NC(=O)C(C)C)ccc1Cl 303951947 ZHGDDNSDMXPQKC-UHFFFAOYSA-N 448.910 5.554 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cncc(-c4ccc5c(c4)CCO5)c3)n2)cc1 431172902 ZWXKUYSFPWFFMI-JOCHJYFZSA-N 437.524 5.606 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C(C)C)n(-c2ccccc2)n1 435042596 VTRPGYRKKMBNIX-UHFFFAOYSA-N 437.503 5.615 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1nccn1CCCc1ccccc1 435131044 AQSDSFMURBWJIA-IBGZPJMESA-N 433.581 5.089 30 20 IKED COc1cc(-c2nc(CN[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cs2)ccc1O 436728341 KHZDRTFWLYJPQW-KRWDZBQOSA-N 441.556 5.914 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 438051480 PCPMARPHYSIQNK-MRXNPFEDSA-N 440.525 5.064 30 20 IKED Cc1c(CSC(C)C)cccc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 438452875 WNJRDOBJNDAQMN-UHFFFAOYSA-N 436.625 5.248 30 20 IKED C=CCN(C(=O)c1ccc(C(=O)c2cccc(OC)c2)cc1)c1nc2c(s1)CCCC2 444100694 MDUKXVQXGFTDDF-UHFFFAOYSA-N 432.545 5.094 30 20 IKED N#Cc1cc(F)c(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c(F)c1 445639219 HTPQJPBBWFRDMJ-UHFFFAOYSA-N 445.347 5.360 30 20 IKED CC(C)(C#N)CC(=O)N(C[C@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 447201218 SDPUCKJYAWHIML-MRXNPFEDSA-N 448.386 5.024 30 20 IKED CC(C)c1cccc(O[C@@H](C(=O)Nc2cnn(-c3ncccc3C#N)c2)c2ccccc2)c1 461307012 JTSIAQYXTLMDKV-XMMPIXPASA-N 437.503 5.021 30 20 IKED COCC[C@@H]1CCCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 467389408 KGCOSISTTZYUFN-SFHVURJKSA-N 441.959 5.461 30 20 IKED CN(C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](c1ccc(Cl)cc1)C1CCCC1 467663314 FZQVEAZRFNEROF-FQEVSTJZSA-N 430.335 5.193 30 20 IKED N#C[C@H]1N(C(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)CCC[C@]12CCCCO2 468658605 ILUWUGVZPHAVAE-DENIHFKCSA-N 432.492 5.084 30 20 IKED C[C@@H](Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1)c1ccccc1 472531656 CVMJENONWUWOQS-VGOFRKELSA-N 425.513 5.835 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc4c3CN(CC(F)(F)F)C4)c2)cc1 473255039 AQLYWLMXFWYZDS-UHFFFAOYSA-N 437.421 5.481 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 473821877 ZBMHXTLGPAAVMR-OPAMFIHVSA-N 436.968 5.898 30 20 IKED C=C(C)[C@H](NC(=O)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1)c1ccc(F)c(F)c1 477736291 CVBKMYBZHVXHHK-BTYIYWSLSA-N 429.442 5.452 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(Br)c3C)n2)cc1 478535092 MNAHIVVHEPTIIM-ZDUSSCGKSA-N 433.352 5.441 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)cc1 480635783 LHUZPSWGXQXQNQ-RDTXWAMCSA-N 433.430 5.554 30 20 IKED CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1ccccc1Oc1ccccc1C#N 480852813 CZDFEHFUMSTMSS-UHFFFAOYSA-N 440.547 5.124 30 20 IKED C=C(C)[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1ccc(F)c(F)c1 482614688 ADLPAATXOZRRRM-HSZRJFAPSA-N 425.479 5.093 30 20 IKED N#C[C@H](C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2)c1cnc2ccccc2n1 483199629 PIKFRGUZNLTXIN-HNNXBMFYSA-N 448.313 5.101 30 20 IKED Cc1c(C(=O)N[C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)sc2ccc(C#N)cc12 485120157 JAYZZNHSRLULLC-UZUQRXQVSA-N 434.561 5.137 30 20 IKED CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)c1 486584152 GIELPIGYJBMXHF-UHFFFAOYSA-N 427.976 5.259 30 20 IKED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 488333066 MGPZPYIXFRUZKA-QGZVFWFLSA-N 435.421 5.669 30 20 IKED C[C@H](c1nccn1-c1ccccc1)S(=O)(=O)Cc1ccc(-c2ccccc2C#N)cc1 489027714 PSEJOJRGLNEGDZ-LJQANCHMSA-N 427.529 5.087 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C 494636114 WFRHWAUTPPAJMP-INIZCTEOSA-N 443.544 5.192 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c[nH]nc1-c1ccc(Cl)s1 495015583 GPUJEMCDYVHRAA-UHFFFAOYSA-N 435.896 5.411 30 20 IKED N#Cc1ccc(N2CCN(C(=O)Nc3cc(C(F)F)ccc3Cl)CC2)c(Cl)c1 497183628 UMKZXHCQPYDQKE-UHFFFAOYSA-N 425.266 5.157 30 20 IKED CC(C)(C)Oc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cn1 498690980 SOKDUTWJRLFHJX-UHFFFAOYSA-N 446.526 5.182 30 20 IKED COCCOc1cccc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 502318709 NRPHWCFRYCLAKS-UHFFFAOYSA-N 431.492 5.001 30 20 IKED C[C@@H](c1ccccc1Br)N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 503636151 ZCRZGWDOHALIBQ-HNNXBMFYSA-N 436.309 5.341 30 20 IKED COC(=O)c1cc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)oc1C 505044811 DSNQOHAHYCAXEM-FQEVSTJZSA-N 437.883 5.005 30 20 IKED N#Cc1cccc(-c2nnc(CN[C@@H](c3ccccc3C(F)(F)F)C(F)(F)F)o2)c1 505900753 IHVHSNBRCRZGSG-INIZCTEOSA-N 426.320 5.020 30 20 IKED C[C@H](NC(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21)c1ccc(C#N)cc1 509228036 SUTMXQHDKWAXMZ-SCLBCKFNSA-N 430.371 5.260 30 20 IKED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510246445 YTJGNPVFESJDRE-AWEZNQCLSA-N 449.561 5.673 30 20 IKED Cc1noc(COc2ccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)cc2)n1 510611988 CZAGFCQCBZZRBT-UHFFFAOYSA-N 440.459 5.068 30 20 IKED CN(CCOc1ccccc1F)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511372584 JITHJTQNPWQFOG-UHFFFAOYSA-N 433.483 5.013 30 20 IKED Cc1c(Br)cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-] 511883186 BPRAYXZLVLBDEW-CQSZACIVSA-N 442.294 5.279 30 20 IKED C=C(C)CN(Cc1nc(O)c2c(-c3ccc(C)cc3)c(C)sc2n1)Cc1ccc(CO)o1 512153887 WERXVARJCHSAEP-UHFFFAOYSA-N 449.576 5.344 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1C1CCCCC1 512729408 JKNSQVNJORHVPG-HNNXBMFYSA-N 426.492 5.589 30 20 IKED C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 513108793 SHQNDXAYBUSONI-QGZVFWFLSA-N 445.523 5.740 30 20 IKED COc1ccc([C@@H](NC(=O)NCC(C)(C)CCC#N)c2ccccc2)cc1Br 513113272 MBJWCHIGOCKKNN-FQEVSTJZSA-N 444.373 5.176 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)o1 513191979 YFQSSSLUPLXDCL-KRWDZBQOSA-N 436.393 5.345 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)nc2ccccc21 513672209 PNVBEEJIRIHINZ-KRWDZBQOSA-N 446.850 5.417 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H]1c1ccccc1OC 515095487 LITBLMKNJFSAMU-FJIJXJHWSA-N 430.552 5.059 30 20 IKED C=CCN(CC=C)C(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1[C@H](C)c1ccccc1 515487672 NDSRINLXGVLLMD-UXHICEINSA-N 432.593 5.236 30 20 IKED Cc1nc(NC(=O)c2cccc(CC#N)c2)sc1Cc1cccc(Br)c1 515636023 YAFOHYYIGJBZNP-UHFFFAOYSA-N 426.339 5.123 30 20 IKED COc1ccc(S[C@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 515651495 RLOJTNSDXOVVPW-GOSISDBHSA-N 432.545 5.460 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccc(F)cc4)s3)n2)cc1 517800708 CVBLBHYLEXDSMS-SFHVURJKSA-N 434.517 6.176 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)cc2)cc1 519056584 AFEYHPUHOAUBAN-UHFFFAOYSA-N 439.496 5.917 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1 521954834 BVMMFJDFEUNYTR-UHFFFAOYSA-N 447.922 5.652 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCN2C(=O)CCc3ccccc32)cc1Cl 523112220 PCORKVAEUPESHI-JOCHJYFZSA-N 443.934 5.303 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3C[C@H]3c3ccccc3OC(F)(F)F)s2)cc1 524914580 STIOESGKGCNCBR-ROUUACIJSA-N 443.450 5.246 30 20 IKED Cc1cccc(NC2CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)CC2)c1 525504846 WOECBPWUVMDHHW-UHFFFAOYSA-N 431.565 5.022 30 20 IKED N#C[C@@H](NC(=O)c1cc(-c2ccccn2)ccc1Cl)c1cccc(Br)c1 535021890 GSROTJIUNORFNC-LJQANCHMSA-N 426.701 5.159 30 20 IKED CC[C@@H](C)n1ncc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1C1CC1 536525995 HGHVIKWNFMFKJO-GOSISDBHSA-N 430.556 5.378 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)cc2)cc1 537245848 APJVMZDZSDJBSE-PKTZIBPZSA-N 435.430 5.280 30 20 IKED C=CCN(C(=O)c1ccnc(O[C@@H](C)CC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 537393050 ZNISMMXXEZLXDS-HNNXBMFYSA-N 438.509 5.123 30 20 IKED C=CCC[C@H](N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(C(F)(F)F)cc1 540151155 MXHZMWXBCOHWPO-KUHUBIRLSA-N 429.479 5.606 30 20 IKED N#CC1(c2ccc(C(=O)N(C/C=C\c3ccccc3)c3ccc4c(c3)OCCO4)cc2)CC1 540694197 LFUUBVDPMULFEY-DAXSKMNVSA-N 436.511 5.373 30 20 IKED Cc1ccccc1NC(=O)Cc1nc(CSc2ccc(C#N)c(C(F)(F)F)c2)cs1 541076524 QPRWTMSBRRUASJ-UHFFFAOYSA-N 447.507 5.816 30 20 IKED N#C[C@H](NC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1)c1cccc(Cl)c1Cl 541423075 GLRGBBWPJRWUQS-BEFAXECRSA-N 431.367 5.181 30 20 IKED CC(C)[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(Cl)cc1F 541930174 FKPQROZZOFRWRE-QHCPKHFHSA-N 429.923 5.019 30 20 IKED C[C@H](NC(=O)N[C@H](c1ccccc1)[C@H]1CCOC1)c1ccc(-c2cccc(C#N)c2)cc1 542080659 JGLPREPPLYJAOM-RRWZXMNXSA-N 425.532 5.363 30 20 IKED C[C@H](N[C@H](C)c1nnc(-c2cccc(Cl)c2)o1)c1ccc(-c2cccc(C#N)c2)cc1 542947165 UAZXCNWUARRTOP-DLBZAZTESA-N 428.923 6.340 30 20 IKED CNC(=O)c1ccc(Cl)c(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 543875617 HJXYXWDLARKPPB-OAHLLOKOSA-N 432.911 5.121 30 20 IKED CC(C)C[C@@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1cccc(C(F)(F)F)c1 548825775 NJCFAXSHBCGJRF-HXUWFJFHSA-N 444.501 5.455 30 20 IKED CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)c1 550310875 AQCYLGRQWDPVID-OAQYLSRUSA-N 439.987 5.294 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COc1ccc(OCC2CC2)c(Cl)c1 558842953 ZXTFYVADXWOCJP-OAHLLOKOSA-N 430.957 5.398 30 20 IKED CC[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ncc(-c2ccccc2)[nH]1 564440868 FZHKVLIDSRSJNE-QFIPXVFZSA-N 438.491 5.408 30 20 IKED C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 570703129 KOQNWPKPYYWXJI-IZPCHGGPSA-N 449.407 5.373 30 20 IKED N#CCCCn1cc(-c2nc(Cc3csc(-c4ccccc4)n3)no2)c2ccccc21 571563407 FERIYZKYBCJBLO-UHFFFAOYSA-N 425.517 5.709 30 20 IKED C[C@@H](Cc1cncc2ccccc12)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 580475564 CNNLAJSIVCIEDI-FQEVSTJZSA-N 437.518 5.653 30 20 IKED C=CCOc1ccccc1CNCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 600809893 QPBSKCUHUODGRQ-UHFFFAOYSA-N 441.358 6.100 30 20 IKED C=CCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1nc(-c2ccccc2)cs1 603458771 RQHRFKRDFCXREQ-UHFFFAOYSA-N 448.548 5.154 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603622646 ARYVMGGCEPGUDL-UHFFFAOYSA-N 444.491 5.493 30 20 IKED CC(C)(C)c1ccc(C(=O)Nc2ccccc2NCC(=O)Nc2ccc(C#N)cc2)cc1 604007393 VYFQKITWDLMZTG-UHFFFAOYSA-N 426.520 5.159 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)n(C2CCCCC2)c1C 604484017 KTRZWYADNIZFHN-NRFANRHFSA-N 432.490 5.314 30 20 IKED C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 606176664 SSFKTCDJGZJOGP-JTQLQIEISA-N 439.327 5.726 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)cc1 606940503 GDFGRRLPDZYKFO-SFHVURJKSA-N 448.592 5.568 30 20 IKED CCOc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c(C(F)(F)F)c1 609058691 KZDZDPODNBNVFK-UHFFFAOYSA-N 430.382 5.400 30 20 IKED Cc1ccc(-n2ncc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)c2C)cc1 609060780 DWPIGBZINIKKOG-UHFFFAOYSA-N 436.515 5.501 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3csc(-c4cccs4)n3)cc2)c1 609064846 LZQQSMWVTKYNKW-UHFFFAOYSA-N 431.542 5.503 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccco1)C[C@@H]1CCCO1 609079280 TZECPOZSMQPHEJ-DEOSSOPVSA-N 445.519 5.252 30 20 IKED CCN(C(=O)Cc1ccc(NC(=O)c2cc3ccccc3n2CC#N)cc1)c1ccccc1 609165194 PNPBAXFFMXMXBN-UHFFFAOYSA-N 436.515 5.013 30 20 IKED Cc1ccc(-n2ncc(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)c2C)cc1 609172906 GDJHGUQCANNPDU-SANMLTNESA-N 436.515 5.063 30 20 IKED CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 609176164 AKXRAKRYCCGBLM-MRXNPFEDSA-N 431.517 5.428 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCCCOc1ccc(Cl)cc1Cl 609401991 QTOKIEVVZJLWJG-AWEZNQCLSA-N 438.380 5.836 30 20 IKED Cc1nc(-c2ccc(CCNC(=O)Nc3ccccc3S[C@H](C)CC#N)s2)cs1 609434992 JMEQRINJZAPYPF-CQSZACIVSA-N 442.635 5.939 30 20 IKED CC(C)c1nc(-c2ccccc2NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)n[nH]1 609521447 GNGOEERDLWVDMI-UHFFFAOYSA-N 437.503 5.706 30 20 IKED N#Cc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2Cl)c2c[nH]c3ccccc23)cn1 609640318 BQHVAFQAGKXPOF-LJQANCHMSA-N 435.314 5.303 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2CCCN(c3ccccc3)C2)cc1 609686928 HFCSWMKBRHSEOZ-RUZDIDTESA-N 442.538 5.078 30 20 IKED C[C@](CO)(NCc1cccc(OCc2ccccc2C#N)c1)c1cccc(C(F)(F)F)c1 609711013 URXXVUDECGXOMR-XMMPIXPASA-N 440.465 5.153 30 20 IKED Cc1ccc(OC2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)cc1 609744542 OVQFGYBUIPPFKY-UHFFFAOYSA-N 427.504 5.734 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1nc(C2CCCCC2)no1 610629395 FCZVHWUAPGWIQU-OAHLLOKOSA-N 432.484 5.059 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 618742524 MMIZWQMARBQMEX-HSZRJFAPSA-N 436.342 5.894 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)cc1 675036269 AQALSYCFXDNHJG-UHFFFAOYSA-N 440.499 5.100 30 20 IKED COc1ccc(C(C)=NNc2ncnc3sc(-c4ccccc4)cc23)cc1NC(C)=O 726417365 GNTBEHYUFUZUHT-UHFFFAOYSA-N 431.521 5.161 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(Br)cnc3Cl)cc2)c1 728005620 ATKDZCIUDXRGBX-UHFFFAOYSA-N 442.700 5.200 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)cc1 728766941 PXLHFINDSFOLIX-BXKMTCNYSA-N 445.563 5.379 30 20 IKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 730687816 QAZRJPDBOKHBCY-MCIONIFRSA-N 425.674 5.237 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 731114044 DBOVLBSWHGGFRT-IBGZPJMESA-N 448.592 5.832 30 20 IKED C[C@@H](C#N)Oc1ccc([C@H]2Nc3ccccc3C(=O)N2c2cccc(C(F)(F)F)c2)cc1 731300719 JKONXOZFIPPUJY-NYHFZMIOSA-N 437.421 5.767 30 20 IKED C=CCn1c(-c2ccccc2F)nn(CN(C)[C@H]2CCCc3nc(C)sc32)c1=S 732189758 SWNHIKCYCTZGKV-SFHVURJKSA-N 429.590 5.138 30 20 IKED C[C@@H](OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C(=O)Nc1c(F)cccc1F 732377464 NIEWODJCAGHJGW-OAHLLOKOSA-N 436.414 5.007 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C 732427700 IIVPZDDYZOXYMH-KRWDZBQOSA-N 438.528 5.036 30 20 IKED C[C@@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1nc2ccc(Cl)cc2[nH]1 732543915 MREDJWGSHOIWFD-OAHLLOKOSA-N 430.895 5.158 30 20 IKED C=CC[C@@H](NC(=O)N(C)[C@H]1CCSc2ccc(Br)cc21)c1ccncc1 734685395 ZZWQYQSBDZQWDL-MSOLQXFVSA-N 432.387 5.340 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=S)N[C@@H]3CCOc4ccccc43)c2)cc1 741483030 WCBYTIBYDWGSRA-HSZRJFAPSA-N 429.545 5.142 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2C[C@H](C)C[C@H]2c2ccccc2F)c1=S 743374148 OXLHXAYPJRIPJK-UTKZUKDTSA-N 438.572 5.455 30 20 IKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Oc4ccccc4)c3)NC2=O)cc1 746806396 AMHIBEPVBVCSFK-NRFANRHFSA-N 431.517 5.035 30 20 IKED C#CCOc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)cc1 748946631 GJMLJFYUVUNPAI-QFIPXVFZSA-N 429.520 5.846 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(Cn3nc(C)cc3C)c2)cc1 749047134 CTPBESZVLZNOAI-OSPHWJPCSA-N 428.536 5.023 30 20 IKED CCCOc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cs2)cc1 750391349 PXOPXRGKDBZZGD-IBGZPJMESA-N 443.528 5.594 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2ccc(F)cc2C)cs1 750939020 SKSQTXVJLCYEEH-UHFFFAOYSA-N 436.434 5.740 30 20 IKED CC1CCN(C2CCC(NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)CC1 752184243 JXXJUQUAMTZXMS-NRUKRLKBSA-N 430.596 5.507 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc1 761721830 QYMXDZCYEJTPPC-BCHFMIIMSA-N 441.531 5.078 30 20 IKED Cc1cc(C)cc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccc3c(c2)CCCC3)c1 762445692 WZBODIAXUCUDOO-UHFFFAOYSA-O 440.592 5.665 30 20 IKED C#CCN(C(=O)C1CCC(C(F)(F)F)CC1)[C@@H]1CCOc2ccc(Br)cc21 766666512 ORZJKLTXJWMTHS-MQBCKMQZSA-N 444.291 5.103 30 20 IKED CC(C)(C#N)CCCCOC(=O)c1ccccc1NC(=O)c1ccccc1Br 768507944 DTEUGKNCKILNQK-UHFFFAOYSA-N 443.341 5.578 30 20 IKED C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 772310431 IGHJKQAOKDESQP-GHTZIAJQSA-N 449.551 5.063 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H]3C[C@@H](O)c3ccc(F)cc3)c2)cc1 773268547 HAHLUSPIYFHENP-RCZVLFRGSA-N 445.494 5.610 30 20 IKED O=C(/C=C\c1cn(Cc2cccnc2)nn1)c1ccc(Oc2ccc(F)cc2)cc1Cl 774138737 PAIMWFUDCDVUPX-YHYXMXQVSA-N 434.858 5.202 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1C1CC1 774260634 RRSHWWCYRQPSDX-KZULUSFZSA-N 431.319 5.079 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(Cc3ccc(O[C@H](C)C#N)cc3)C2)n1 775205469 HXWVWTMICOKJBZ-UYAOXDASSA-N 433.577 5.489 30 20 IKED C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)cc1 777304284 NVGFQRGQHDTTRB-NHYWBVRUSA-N 437.710 5.203 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 780304912 AWDDHIPFRLMXMO-FQEVSTJZSA-N 425.875 5.516 30 20 IKED CCC(CC)n1ccc(CON=C(C)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)n1 784049153 KEOBTPIKGJPJPJ-UHFFFAOYSA-N 434.466 5.093 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)COc1ccc(C2SCCCS2)cc1 789717942 BHHAIFOWHBJBPK-UHFFFAOYSA-N 427.635 6.425 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@@H](C#N)c2nccc3ccccc23)cc1 792103799 UADFNRARPWMXDK-RUZDIDTESA-N 445.522 6.201 30 20 IKED Cc1ccc([C@](O)(Cc2nc([C@@H](F)c3ccc(C(F)(F)F)cc3)no2)C(F)(F)F)o1 800999726 CIGILUUBKYZKCO-GOEBONIOSA-N 438.299 5.041 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(Cl)s1)[n+]1cc(O)cc(-c2ccccc2)c1 811723895 QHIRLKTVCOUZFC-UHFFFAOYSA-O 444.001 5.439 30 20 IKED Cn1c(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)ccc1-c1ccc(Br)cc1 813221859 XKWVXNQBXVIRGS-OAHLLOKOSA-N 448.242 5.358 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)cc1 837837904 IQVALIYTZKYRKD-XMSQKQJNSA-N 444.560 5.112 30 20 IKED CC[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)N1CCc2ccccc2C1 915352386 HGSNWFXPHHOOIJ-SXOMAYOGSA-N 438.575 5.300 30 20 IKED Sc1nnc(-c2ccccc2Cl)n1N=Cc1sc(Oc2ccccc2)nc1Cl 915944328 JQDPRVWQFKYSAD-UHFFFAOYSA-N 448.360 5.672 30 20 IKED C=CCOc1ccc(/C=C(\Cl)c2nc(=O)c3ccc(C(F)(F)F)cc3[nH]2)cc1OC 916127914 NYOMKXMZOQQVHM-DHDCSXOGSA-N 436.817 5.252 30 20 IKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCCC2)c1 916205048 DGDOTNZXBFROAC-HXUWFJFHSA-N 425.529 5.037 30 20 IKED CCCCOc1ccc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)cc1OC 916310655 BSDOFCNAONSKJM-UHFFFAOYSA-N 447.560 5.503 30 20 IKED Cc1nn(-c2ccccc2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc12 916881795 YMMVJJICJXCASX-GOSISDBHSA-N 434.908 5.010 30 20 IKED CC1=NN(c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc2)CC1 916906427 QYBLWMVKQLHSDM-JOCHJYFZSA-N 438.487 5.026 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc(Cc2ccc(F)cc2)nc1C 916909661 SZNWLCDGAXUTSG-FQEVSTJZSA-N 449.551 5.267 30 20 IKED C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12 916917405 GTLVOHQJCLOWMI-SUMWQHHRSA-N 427.287 5.261 30 20 IKED N#C[C@H](C(=O)/C=C\c1cc(Br)ccc1F)c1nc(-c2ccccc2)cs1 917025535 NBCPSIIZGHABOB-CXOKCQFOSA-N 427.298 5.601 30 20 IKED N#C[C@H](C(=O)COc1c(Cl)cccc1Cl)c1nc2cc(C(F)(F)F)ccc2s1 917042065 AZWCSKIEEVXXMR-SNVBAGLBSA-N 445.249 5.877 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNC(=S)Nc2ccccc2C)cs1 917534829 YFALEQHWLTYTPV-UHFFFAOYSA-N 443.985 5.110 30 20 IKED CCCCCC/N=C1/NC(=O)[C@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)S1 917634799 ATXRKUYECDIILL-AWEZNQCLSA-N 436.792 5.143 30 20 IKED CCC(CC)[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 918427269 HCQATUKTSYJNKO-CLJLJLNGSA-N 439.559 5.574 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)cc1 920048620 ZRMWZPNELKOSIW-DFBJGRDBSA-N 428.511 5.129 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2cc(-c3ccccc3)no2)cc1C 920893037 AHOMDNIZJQZRQB-UHFFFAOYSA-N 426.476 5.093 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@H]4c4ccc(Cl)cc4)CCC3)cc2)C1 1785807894 UBCXHRYYALRLLG-GOTSBHOMSA-N 434.967 5.544 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3nc4ccccn4c3C)CCC2)cc1 1786102928 CVAJWFZKWHEFMY-UHFFFAOYSA-N 442.563 5.159 30 20 IKED CC(C)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCC2)cc1 1787941229 ZETZGDVUSUBCAI-UHFFFAOYSA-N 447.432 5.073 30 20 IKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4c(F)cccc4F)cc3)CCC2)c1 1790221546 FIPTUCUELKBSIR-UHFFFAOYSA-N 449.432 5.037 30 20 IKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cccc(-c4cnco4)c3)cc2)CCC1 1790707280 FGGPEFIAIKEUBE-QFIPXVFZSA-N 449.576 5.044 30 20 IKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@H]4c4ccccc4)cc3)CCC2)cc1 1791527130 NSCNYNDZXHCBNY-UIOOFZCWSA-N 449.554 5.039 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(Cl)cc4)no3)CCC2)cc1 1791587383 QZKVKHUDKAKDFY-UHFFFAOYSA-N 435.911 5.319 30 20 IKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(F)cc(Cl)cc1Cl)C2 1793052731 OOUUJPISXONOGD-BJWYYQGGSA-N 439.358 5.153 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3ccccc3o2)[C@H]1c1cccnc1 1810499573 DKLGUHGJKIEROB-URXFXBBRSA-N 445.563 5.140 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 1811949818 GDMIDNNEPMCKGA-DQEYMECFSA-N 447.623 5.517 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCCCC2(F)F)[nH]n1 1814440276 NSGZMFVUHRRQPO-AEFFLSMTSA-N 436.547 5.220 30 20 IKED CC1(C)CCC(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)CC1 1820978543 MBVRRZAEMDYMDH-JOCHJYFZSA-N 447.583 5.194 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)cc(F)c2F)n[nH]1 1821330952 ZJADGJPOJHJIIC-HXUWFJFHSA-N 442.510 5.071 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)cc(Cl)c2)n[nH]1 1823209039 CTONZSDPXMQARB-ICSRJNTNSA-N 444.938 5.277 30 20 IKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCCC(C)(C)C)CC1 1824511749 QKXIWFJOQQHEPQ-GGAORHGYSA-N 434.665 5.194 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccs2)CC1 1825313396 YDYIBZKAYHJYJH-GOTSBHOMSA-N 428.642 5.069 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(C)C)on2)CC1 1829065840 GEQBQWXGLHUDST-OAQYLSRUSA-N 429.605 5.024 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cnc(C)s2)CC1 1829069820 AOHIIMPZHFNCQL-DGSRBQDKSA-N 443.657 5.077 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 1844756441 QDYCKKPSKMDOGR-JOCHJYFZSA-N 432.539 5.078 30 20 IKED C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1ccc(Cl)cc1Cl 9825822 RKGKXJXEPMSYOW-CXAGYDPISA-N 439.412 5.225 30 20 IKED COc1cccc(NCc2nnc(SCc3ccc(C#N)cc3)n2C2CCCCC2)c1 10073031 YOYWOEOBYLZUQP-UHFFFAOYSA-N 433.581 5.568 30 20 IKED C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1-c1cccc(Cl)c1 14069126 WQUURMQXQZYWNX-UHFFFAOYSA-N 449.363 5.177 30 20 IKED N#Cc1ccsc1NC(=O)COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 16580754 DSEFQVBKCLYUNE-UHFFFAOYSA-N 430.527 5.904 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccc(CC)cc2)cc1 22731412 UQZNMWDDFROLFB-UHFFFAOYSA-O 425.599 5.356 30 20 IKED Cc1c(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)oc2ccc(Cl)cc12 26624584 UJPFBYYDOKMXJC-NSHDSACASA-N 428.897 5.001 30 20 IKED C=CCn1c(Cc2csc(NC(=O)c3sc4cccc(F)c4c3C)n2)n[nH]c1=S 30688882 NZWDYDVROPXDOW-UHFFFAOYSA-N 445.570 5.089 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cc(Cl)c4c(c3)OCCCO4)c2)c1 32289182 GZJHLXIZGXZAEO-UHFFFAOYSA-N 434.879 5.204 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c23)cc1 46768388 VIKRDPZDJYPSOF-UHFFFAOYSA-N 447.539 5.249 30 20 IKED C=CCn1c(SCCC(=O)Nc2ccccc2)nnc1-c1ccc(Br)cc1 59265892 WPTHWOZLFYUCQA-UHFFFAOYSA-N 443.370 5.015 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(OCc2cn3ccccc3n2)c1 111004565 LVGUDTRGIBRPGM-UHFFFAOYSA-N 444.494 5.704 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCCC[C@H]1c1cc2ccccc2[nH]1 303424224 ZENOEJHGKYEUPV-MBSDFSHPSA-N 432.593 5.585 30 20 IKED CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 429104986 QDJKNAYFFRIXAB-YLJYHZDGSA-N 439.943 5.191 30 20 IKED CC(C)c1nnc(SCCC(C#N)(c2ccccc2)c2ccccc2)n1Cc1ccco1 434642157 DSGBQLIISKTYKZ-UHFFFAOYSA-N 442.588 6.035 30 20 IKED Cc1nc(CSc2ccc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc2)cs1 436348526 YHUYYHKEXJPHFH-XZOQPEGZSA-N 433.602 5.656 30 20 IKED Cc1sc2ncnc(SCCC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c2c1C 436359421 JZNJNEDKVRQSJV-MOPGFXCFSA-N 436.606 5.089 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NC3(c4cccc(F)c4)CCOCC3)c2)cc1 438033134 IJTTVPKDVRIPGD-UHFFFAOYSA-N 431.467 5.317 30 20 IKED CCCCc1ccc(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 446370350 KYKHLHPXLDQUDF-UHFFFAOYSA-N 449.498 5.631 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC2(CCOCC2)[C@@H]1C 460951709 XNFPBTKEDFLCTI-SFTDATJTSA-N 446.595 5.543 30 20 IKED CCN(C(=O)c1ccc(COc2ccc(Br)cc2)o1)c1ccc(C#N)cc1 461533281 MDQBNBCJJGLLHK-UHFFFAOYSA-N 425.282 5.159 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1NCc1ccc(Cl)cc1 462839586 NNIFMKASNUVODO-UHFFFAOYSA-N 434.927 5.113 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c1 462918505 IKMLTTBSUFOIDC-CYFREDJKSA-N 432.907 5.654 30 20 IKED CCn1nc(C)c(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c1C 464286529 ZKIQXFQSTTYFBU-UHFFFAOYSA-N 428.414 5.455 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1cc(C(F)(F)F)ccn1 464429324 VEZWSTVXBJBQMW-CYBMUJFWSA-N 440.299 5.749 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1cccc(-n2cccn2)c1 465218141 UJVJGPZNILOPMI-LJQANCHMSA-N 438.556 5.527 30 20 IKED C=CCn1c(SCCCSCC#N)nc2sc(-c3ccccc3)c(C)c2c1=O 466623987 ZJLSEHHVTXEUNC-UHFFFAOYSA-N 427.620 5.358 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C 468573188 CHGLFUJYSRNKCP-XOBRGWDASA-N 445.535 5.201 30 20 IKED Cc1ccc(NC(=O)c2c(F)cc(C#N)cc2F)cc1Oc1ncccc1Br 468620049 RXUFTEQWTKMCOG-UHFFFAOYSA-N 444.235 5.347 30 20 IKED C[C@@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C[C@@H]1n1ccnc1 469512373 QUQCVQXIRDUOMM-FHZYATBESA-N 433.943 5.307 30 20 IKED Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 472848311 JYYPBYDQGXUYMT-FQEVSTJZSA-N 436.515 5.504 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccc(C(=O)NCc2ccco2)c1 475550222 VOJCLPITFKJFCN-UHFFFAOYSA-N 431.536 5.383 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C 476123914 XCQWCEQANXLFKP-UHFFFAOYSA-N 429.608 6.280 30 20 IKED O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1cnn(-c2ccncc2)c1C(F)F 477622084 PCSXTOZWAJGDHO-UHFFFAOYSA-N 448.298 5.077 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(-c3cncnc3)cc2F)cc1 478115028 VQHUOSSZTVINRH-UHFFFAOYSA-N 440.434 5.208 30 20 IKED C[C@H](NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)c1ccc(Oc2ccccc2)cc1 481072099 JIBRFWFTYDPTFB-MSOLQXFVSA-N 449.532 5.047 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N(Cc3ccco3)C[C@@H]3CCCO3)cc2F)c1 481571026 JAGZTEYUWQLHNU-QFIPXVFZSA-N 449.482 5.082 30 20 IKED CCCc1c(NC(=O)C[C@H](CC#N)c2ccccc2)cnn1-c1cc(F)c(OC)cc1F 483003874 KCDKUVQNQLAEPF-KRWDZBQOSA-N 438.478 5.138 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(F)c(F)cc3N3CCCCC3)cc2)nc1 484887808 RJAMRWYIGUKQMU-UHFFFAOYSA-N 434.446 5.266 30 20 IKED CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)c1ccc(F)cc1C(F)(F)F 485500396 ZMSUJYBZHAEIAQ-UHFFFAOYSA-N 429.313 5.354 30 20 IKED COC[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(Cl)cc1 488379085 YNMMKMXJJYQWQK-XMMPIXPASA-N 449.938 5.494 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1ccc(Oc2ccccc2)nn1 497998676 NRGTXYDHOWZHNZ-UHFFFAOYSA-N 449.511 5.057 30 20 IKED O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1ccc(C(F)(F)F)nc1 499238442 TZIPPRFYOLBBMM-UHFFFAOYSA-N 445.294 5.698 30 20 IKED N#C[C@H](NC(=O)c1ccc(COc2cccc(Br)c2)o1)c1ccc(Cl)cc1 499809382 PYXFUXQWURPNAY-SFHVURJKSA-N 445.700 5.269 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1ccc(NC(N)=O)cc1 502494538 ASRDWUMVTSOEFU-INIZCTEOSA-N 429.480 5.032 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2sc3nccc(C)c3c2C)cc1 505643913 IKKHBKGBAKFULU-UHFFFAOYSA-N 429.501 5.838 30 20 IKED N#Cc1cccnc1N1CCN(C(=O)Nc2ccc(Sc3ccccc3)c(Cl)c2)CC1 508293490 SZMBNILXLALXPF-UHFFFAOYSA-N 449.967 5.112 30 20 IKED C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC[C@]2(CCCOC2)C1 508859530 WDKVHZLIHXCXLV-MHZLTWQESA-N 444.579 5.107 30 20 IKED N#CCCn1cc(CN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c(-c2ccccc2)n1 509560312 OBGONTOYMMLQAZ-UHFFFAOYSA-N 425.511 5.373 30 20 IKED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cccc(Oc4ccc(Cl)c(Cl)c4)n3)nc12 511885350 PKEJYRZOUOQPRE-ZDUSSCGKSA-N 438.274 5.251 30 20 IKED C=CCN(C(=O)c1cc2nc(C)ccc2o1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 512046233 RFIXLGIOBYWBPX-UHFFFAOYSA-N 444.343 6.399 30 20 IKED C[C@@H](Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)C(=O)Nc1ccccc1C#N 512223340 BBJZYGJFDZMIAM-CQSZACIVSA-N 426.398 5.203 30 20 IKED COCCN(C(=O)c1cccc(OCc2ccccc2C#N)c1)c1nc2ccccc2s1 512647269 BZCMUELSNMGBTC-UHFFFAOYSA-N 443.528 5.040 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 512863510 BFRIOGMYEOKCBP-UHFFFAOYSA-N 439.471 5.137 30 20 IKED CC(C)(C)O[C@H](C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccccc1 513851066 IKOZIWAKXKZHJK-QHCPKHFHSA-N 427.504 5.305 30 20 IKED Cc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Oc2ncccc2C#N)c1Cl 515633538 KPXLGXTYGQGPCQ-UHFFFAOYSA-N 434.304 5.162 30 20 IKED N#Cc1ccc(CNc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)c(F)c1 515656543 AABUPOUFJCSMCA-UHFFFAOYSA-N 431.364 5.720 30 20 IKED Cn1cc(-c2nc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)cs2)cn1 515709267 JKJGIXXAUSEOFU-UHFFFAOYSA-N 435.896 5.113 30 20 IKED CSc1nc(O)c(C(=O)N[C@H](c2ccccc2)c2ccc3ccccc3c2)cc1C#N 518866949 RJRAKQQNRLJTRP-JOCHJYFZSA-N 425.513 5.053 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CN(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1 519908482 ZXPSWIKETWCQHD-KRWDZBQOSA-N 433.474 5.044 30 20 IKED COc1cc([C@@H](C)Nc2ccc(C#N)c(C(F)(F)F)c2)ccc1OCc1ccncc1 520988900 MOTBTZIXKNXPFK-OAHLLOKOSA-N 427.426 5.733 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](CO)c3c(F)cccc3F)cc2Cl)cc1 522466255 IFODDCWSNGMITL-LJQANCHMSA-N 443.837 5.137 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cc2c(nc1O)CCCCC2 523137264 QCTRQHRQWJGVKI-UHFFFAOYSA-N 429.495 5.222 30 20 IKED C[C@@H](Oc1ccccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 523786277 RLXVUTZPCZIWOC-HXUWFJFHSA-N 441.531 5.774 30 20 IKED C[C@H](C#N)CN(C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1)C1CC1 532810720 AVGIVFMOZYCOTP-SNVBAGLBSA-N 442.397 5.293 30 20 IKED C=CCC[C@H](NC(=O)N[C@H](C)c1ccc([S@@](C)=O)cc1)c1ccc(C(F)(F)F)cc1 534441823 RXONOTHXPOTWCF-VXOKLSRESA-N 438.515 5.511 30 20 IKED C=C[C@H](CC(=O)NC[C@@H]1CCCN(C(=O)C[C@H](C=C)c2ccccc2)C1)c1ccccc1 535377874 FGHKWAZYVNDPRW-VXNXHJTFSA-N 430.592 5.061 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3CCC(F)(F)F)n2)cc1 535405226 GIYMCDDGWUZZLH-GOSISDBHSA-N 430.451 5.804 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3scnc3C3CC3)s2)c(C(F)(F)F)c1 535504510 ZFLWMBYAKMDTOK-UHFFFAOYSA-N 434.468 5.211 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 535616438 JOWWOUIHCKAVSP-RTBURBONSA-N 428.557 6.054 30 20 IKED C=C[C@H](CC(=O)Nc1ccc(OC)c(OCc2cn3ccccc3n2)c1)c1ccccc1 536124104 MFJCBUDALWYURF-LJQANCHMSA-N 427.504 5.220 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@@H](c4ccc(Cl)cc4)C3)n2)c(Cl)c1 542031852 IBKHBOKXAWHTHD-MRXNPFEDSA-N 426.307 5.072 30 20 IKED C=CCOc1ccc(/C=C/c2nc(Cc3coc(-c4ccc(F)cc4)n3)no2)cc1OC 545592982 BMHKFBYAVZQHOY-VZUCSPMQSA-N 433.439 5.198 30 20 IKED Cn1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1NC(=O)c1ccc(C#N)c(Cl)c1 548279905 UHWHKYNMJSHORA-UHFFFAOYSA-N 439.224 5.537 30 20 IKED C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 549654679 BSWHBPPGKMSTIQ-HXUWFJFHSA-N 445.611 5.052 30 20 IKED Cc1ccnc(-c2ccc(NC(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)cc2)n1 557528042 BRRXPTDTWVKLNR-UHFFFAOYSA-N 445.954 5.222 30 20 IKED N#CCCC[C@H](NC1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)c1ccccc1 560563655 BTBYQSKSNWDUDZ-IWAAJCSBSA-N 439.987 5.171 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3cc4ccccc4cc3OC(F)F)CC2)c(F)c1 561308283 PHGMICXXZQJTBZ-UHFFFAOYSA-N 440.421 5.136 30 20 IKED C[C@@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 561442735 COHAWVAPXIJYBF-VGOFRKELSA-N 446.469 5.115 30 20 IKED FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1noc([C@@H]2CCCC(F)(F)C2)n1 564279561 ODVVOULLDBALMV-MRVPVSSYSA-N 431.283 5.384 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)CC2)c(F)c1 582622896 WGIIXSVGGCZITC-IRXDYDNUSA-N 433.310 5.178 30 20 IKED CC[C@H](C)n1ncc2c(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cc(C)nc21 587988766 OIVQMRJSRRKXBI-QFBILLFUSA-N 429.549 5.633 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 590335866 HUVYJPUBOCLVCI-YUMQZZPRSA-N 440.281 5.876 30 20 IKED N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(SCc3ccccc3)cc2)CC1 604068481 XHEIRGCNRCMFAE-VWLOTQADSA-N 427.573 5.002 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ncc(-c3ccccc3)o2)cc1 604562111 MHZANHDUEYOTTE-UHFFFAOYSA-N 440.459 5.336 30 20 IKED C[C@@H](CC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F 607477576 XZHYACJCKVODEK-SDDRHHMPSA-N 435.330 5.788 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(Oc2cccnc2)cc1 609060372 BIUQAKXXMBLUHI-UHFFFAOYSA-N 435.483 5.885 30 20 IKED Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c2c(C(C)C)noc2n1 609104912 QEAMFRLJNRMAOH-UHFFFAOYSA-N 444.466 5.497 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)CC2)c1 609204742 NDZGQVSLULKHTR-UHFFFAOYSA-N 438.487 5.442 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NC3(c4ccc(Cl)cc4)CCOCC3)c2)cc1 609323414 IRYKVZGQMBKVTJ-UHFFFAOYSA-N 447.922 5.831 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)[C@H](c3ccccc3)N3CCCCC3=O)cc2)c1 609432596 FWGUZYXNJWOOQY-VWLOTQADSA-N 425.488 5.043 30 20 IKED CC1CCN(Cc2ccc(CNC(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)CC1 609438215 GAULVQZSYMHMGB-FQEVSTJZSA-N 436.625 5.634 30 20 IKED N#Cc1ccc(C(=O)Nc2nc(C3CC3)c(Cc3cccc(C(F)(F)F)c3)s2)cn1 609643734 HFLRJGLIRQOECH-UHFFFAOYSA-N 428.439 5.149 30 20 IKED CCOc1cc(Br)c(NC(=O)N[C@H](C)c2cccc(C#N)c2)cc1OCC 610322178 MYWPAODVOCLWDL-CYBMUJFWSA-N 432.318 5.001 30 20 IKED COc1cc(OC)c(C2CCN(C3CCC(C#N)(c4ccccc4)CC3)CC2)c(OC)c1 611267928 JPWQOWNHUVRINP-UHFFFAOYSA-N 434.580 5.296 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1 611363091 BIGFYBNMVMNSIZ-QFIPXVFZSA-N 436.515 5.456 30 20 IKED Cc1ccc(C)c(C(=O)CCC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 617127253 GIAFHMBMEKUWPB-UHFFFAOYSA-N 425.488 5.029 30 20 IKED CC(=O)N1CCCCC[C@@H]1C1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1 618281333 LBNMWYXWYJPAIE-MUUNZHRXSA-N 443.635 5.389 30 20 IKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1cccc(C#Cc2cccs2)c1 622917633 NZWNCYZQQIOJHY-WIOPSUGQSA-N 430.573 5.780 30 20 IKED C=CCn1c(-c2cn(-c3ccccc3)nc2-c2ccccc2)nnc1N1CCC(F)(F)CC1 669809130 RZULHECPPOQTNE-UHFFFAOYSA-N 446.505 5.219 30 20 IKED CC[C@@H](CC(F)(F)F)NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 680632460 OTXUSFWQJISQAE-VIFPVBQESA-N 447.301 5.371 30 20 IKED C[C@H](Oc1ccccc1NC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)C(F)(F)F 685096213 XBTNWQOWFUNWGO-IVZWLZJFSA-N 438.290 5.221 30 20 IKED N#Cc1cccnc1Oc1ccccc1NC(=S)NCc1cccc(C(F)(F)F)c1 726463828 YZKZYJSXZLJYJB-UHFFFAOYSA-N 428.439 5.251 30 20 IKED CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N(CCC#N)C(C)C)c1=S 726532560 FOXFLCSBVSQYRB-UHFFFAOYSA-N 434.009 5.075 30 20 IKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(C)s2)c1 726570741 JQGLDJQHQCYRPM-UHFFFAOYSA-O 426.974 5.501 30 20 IKED N#C[C@@H](C(=O)/C=C/c1cccc(OC2CCCC2)c1)C(=O)Nc1ccc(F)c(Cl)c1 727953979 JUQXYLUASJZVTQ-BLRBJFNZSA-N 426.875 5.161 30 20 IKED CCOC(=O)c1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 727978621 JYLHDJYYFWXZBT-UHFFFAOYSA-N 445.544 5.431 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)/C=C\c1ccc(Cl)cc1 728016713 SGEIWIMVJKHOFK-QXMHVHEDSA-N 438.936 5.512 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccccc3Cl)C2)cc1 729036797 ROFFSZSRCKTVGB-ISKFKSNPSA-N 431.923 5.601 30 20 IKED N#C[C@H](C(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1nc2cc(Cl)ccc2s1 729891088 AWBVXQXYRMUJMB-LLVKDONJSA-N 434.830 5.195 30 20 IKED COc1ccccc1C/C(C)=C\C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 730173622 JPFAIYCCWLSJHR-JZJYNLBNSA-N 426.516 5.468 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2nc(C)c(-c3ccccc3)o2)cc1 730396110 NHHJVENAKYYULB-HTAPYJJXSA-N 429.520 5.444 30 20 IKED CC[C@@H](C)c1ccc(-c2cc(C(=O)NC3CCN(CC#N)CC3)c3ccccc3n2)cc1 730503335 CIHLMTHUPPQFLP-LJQANCHMSA-N 426.564 5.133 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 730989692 NDFWASKURAVECE-PXNSSMCTSA-N 439.581 5.013 30 20 IKED N#CCSc1ccccc1C(=O)Nc1ccc(Nc2ccc(F)cc2)c2ccncc12 732105232 ZISPNMGDGCELKR-UHFFFAOYSA-N 428.492 5.985 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)cc1 732417977 MXAANDRHTYCORC-UNMCSNQZSA-N 440.330 5.504 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 732593295 JUKRLHAZOKMHSF-VXNXHJTFSA-N 444.918 5.370 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2nc3ccc(Cl)cc3[nH]2)cc1C 733155658 QYNXCUFIMMJDGU-MRXNPFEDSA-N 446.942 5.101 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@H]2c2ccccc2Cl)ccc1OC 733656679 OIVKGQSJNIGSLR-YLJYHZDGSA-N 427.932 5.076 30 20 IKED CC[C@@H](C#N)Oc1cccc(CN[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)c1 733797731 FSOJBHHJYYVKSX-WIOPSUGQSA-N 447.966 5.799 30 20 IKED Cc1cccc(COc2c(C)cc(CN(C)C(=O)Nc3cccc(OCC#N)c3)cc2C)c1 734646110 MBGJZTSEAUOBCR-UHFFFAOYSA-N 443.547 5.757 30 20 IKED Cc1ccc(C(=O)N(C)C)cc1OC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 735000723 DHZYUPXNTVTZEH-UHFFFAOYSA-N 434.879 5.233 30 20 IKED C[C@H](NC(=O)COC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1cccs1 735165931 UGSOLGUIHNUYBC-AWEZNQCLSA-N 440.908 5.100 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(-c4ccccc4Br)n3C)[nH]c12 735791434 YQTPBPQBXSVWGU-HNNXBMFYSA-N 433.309 5.129 30 20 IKED COc1cc(COC(=O)c2coc(-c3ccccc3)n2)ccc1OCc1cccc(C#N)c1 738837721 ZQHASSYJCTVGIA-UHFFFAOYSA-N 440.455 5.158 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)N[C@@H](C)c3cccc(C#N)c3)cc2C(F)(F)F)C[C@@H](C)O1 743143329 KVQKCYKDJCRLRM-XHSDSOJGSA-N 446.473 5.073 30 20 IKED CCc1ccc(-c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)o2)cc1 744031211 UISPLXFNJCPKFT-INIZCTEOSA-N 427.287 5.777 30 20 IKED CC(=O)Nc1ccc(C(C)=NO[C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 744446132 ZUNMYXRCXAHSFS-ZDUSSCGKSA-N 432.402 5.216 30 20 IKED CC(C)CO[C@H](C)c1noc(COC(=O)c2ccccc2Sc2ccccc2C#N)n1 744470230 WLEFOGRDKWFJSY-MRXNPFEDSA-N 437.521 5.183 30 20 IKED CC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nc(C(F)(F)F)cs1 745935293 KCACZWCUHIHHNI-ROUUACIJSA-N 444.482 6.090 30 20 IKED CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)n1 746025917 SNOZVBKWRLXQEV-AVRDEDQJSA-N 447.539 5.123 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(-c2cccnc2)cc1 747536270 AQNZMAKEUDSAFM-CCLHPLFOSA-N 432.527 6.287 30 20 IKED C[C@H](OC(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@@H](C)c1nc2ccccc2s1 749220562 OXXCUSACPZGDLT-MSOLQXFVSA-N 435.549 5.059 30 20 IKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1nc(-c2ccccc2)cs1 755523141 FPZZTPIIEGYPTA-UHFFFAOYSA-N 427.558 5.317 30 20 IKED C/C(=C\c1ccccc1Cl)C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 756287256 QEJNOUHXSFHASL-MDJJKAFGSA-N 428.941 5.319 30 20 IKED C#CC[C@@H](NC(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccccc1 757621521 ISJUJJJEZINNQQ-UQBPGWFLSA-N 443.522 5.132 30 20 IKED C[C@H](OC(=O)c1cc2ccccc2n1CC#N)c1nnc(-c2ccc(Cl)cc2Cl)o1 758019011 YTQVGUXMEYRPII-LBPRGKRZSA-N 441.274 5.440 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 761703913 YZAAOLHWEJTTNH-YADARESESA-N 426.516 5.018 30 20 IKED CC(C)[C@@H](NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccc(C(F)(F)F)cc1 761742416 GLMJHVMLGQATRV-NHCUHLMSSA-N 431.458 5.057 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)Nc3ccccc3OCc3cccc(Cl)c3)CCO2)c1 761868987 ZBYITZNXLOKOGD-DEOSSOPVSA-N 447.922 5.396 30 20 IKED Cc1cn(-c2ccc(C#N)cn2)nc1NCc1c(C(C)C)nn(-c2ccccc2)c1Cl 763478096 ACQHJRBWUJAGIK-UHFFFAOYSA-N 431.931 5.022 30 20 IKED COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1ccc(O[C@@H](C)C#N)cc1)CC2 768180925 RJSCSEMHLFAASN-PPHZAIPVSA-N 428.532 5.142 30 20 IKED CC[C@H](N[C@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1OC(F)F 775049524 KYHWMPJZSDNGCD-SCZZXKLOSA-N 438.343 5.051 30 20 IKED C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(SCC(F)(F)F)cc1 777113408 BOFSKSBMBBYBBI-HNNXBMFYSA-N 435.515 5.347 30 20 IKED COC(=O)Nc1ccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1F 783142841 JGIOBOJNAHHPDO-OAHLLOKOSA-N 432.455 5.425 30 20 IKED N#C[C@@H](COC(=O)c1coc(-c2ccccc2Cl)n1)Cc1ccccc1Br 786641331 JVHJZASRYWMKRK-ZDUSSCGKSA-N 445.700 5.297 30 20 IKED C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(Br)c(F)cc1O 786960094 UZUOXHSZJCSRRM-ZDUSSCGKSA-N 446.320 5.050 30 20 IKED CC[C@@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccccc1 787033427 HGLJKRFLIAJGOE-LOSJGSFVSA-N 437.499 5.135 30 20 IKED N#CCSc1ccccc1C(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 792826913 NORNMFBOEWPQPO-UHFFFAOYSA-N 434.361 5.514 30 20 IKED CC(C)(C)OC(=O)NC(C)(C)c1cc(C=NN=C2c3ccccc3-c3ccccc32)on1 792960323 SNTYLAMEGCXHSL-UHFFFAOYSA-N 430.508 5.286 30 20 IKED CC(=O)N(c1nc(/C=C2/CCc3ccc(O)cc3C2=O)cs1)c1ccc(F)cc1F 794960261 PLRVZILNZJPIKQ-ZSOIEALJSA-N 426.444 5.024 30 20 IKED C[C@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)c1nnc(-c2ccc(Cl)cc2Cl)o1 796037219 TVBBIMOEIFFHBJ-LBPRGKRZSA-N 430.291 5.763 30 20 IKED Cc1ccc(C(=O)N[C@H](CC(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c2ccccc2)cc1 797567876 BXCIUBCNXHJDJN-NHCUHLMSSA-N 445.588 5.487 30 20 IKED CC(C)(C)OC(=O)N1CCC(c2cnc(NC(=O)c3ccc(C#N)c(Cl)c3)s2)CC1 804816986 LZWQLHORIWRRPS-UHFFFAOYSA-N 446.960 5.035 30 20 IKED COc1ccc(-c2csc3ncnc(NN=C(C)[C@@H](C)CCCCC(=O)O)c23)cc1 814761219 IFPIPIMPUWQGAT-AWEZNQCLSA-N 426.542 5.436 30 20 IKED CCc1sc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1Br 815908658 HCMMWWQGDLPBPL-SECBINFHSA-N 446.153 5.341 30 20 IKED N#Cc1ccc(-c2ccc(OC(=O)COc3cccc(NC(=O)c4ccco4)c3)cc2)cc1 914752888 DRVTYXQAJOITRB-UHFFFAOYSA-N 438.439 5.055 30 20 IKED Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc12 915085081 FSRPDUGYUVNKLD-AREMUKBSSA-N 443.510 5.637 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915086044 QZRZFTKCQQMOSZ-DEOSSOPVSA-N 441.531 5.870 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCc2nc(-c3cccs3)no2)cc1 915293217 JDNVMXWVULDSMY-FQEVSTJZSA-N 428.517 5.415 30 20 IKED CCOc1ccc(Oc2c(CNCc3ccc(C#N)cc3)c(C)nn2-c2ccccc2)cc1 915681317 YYCQYNBRCIJKHZ-UHFFFAOYSA-N 438.531 5.533 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cn(Cc2ccccc2)c2ccccc12 916916279 RAJGOOXTOPCYLS-DEOSSOPVSA-N 443.506 5.804 30 20 IKED CCOc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916997147 RTLYIIHKLVFHOQ-QGZVFWFLSA-N 447.343 5.771 30 20 IKED C[C@H](NC(=O)c1ccccc1SCC#N)c1cccc(NC(=O)Cc2ccccc2F)c1 918586989 XHEUXCWECXUQEL-KRWDZBQOSA-N 447.535 5.114 30 20 IKED Cc1cc[nH]c1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1787105499 LKIXHKSMGDGFFL-SFHVURJKSA-N 426.520 5.012 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccn4ccnc4c3)cc2)CCC1 1789301462 GUHCEONNYJNJIT-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cccc4ncccc34)CCC2)cc1)C(F)(F)F 1791302683 GVLMJSWGMDWQMF-UHFFFAOYSA-N 439.437 5.101 30 20 IKED CC(C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@@H](C)C#N)c1)c1ccccc1 1803676984 WACXYCBZZUSEPY-CIHKHTDDSA-N 443.591 5.005 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2sccc2Cl)[C@@H]1c1cccnc1 1811098689 LJYOKBLRUMPOEE-MJGOQNOKSA-N 446.016 5.109 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1814445398 KQRLLDFXFCUOHS-XMSQKQJNSA-N 447.583 5.335 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccnc(C(C)(C)C)c2)n[nH]1 1816106514 CNGQQCCMSUCWGM-TZIWHRDSSA-N 449.599 5.177 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3cnccc23)[nH]n1 1819307371 SQQXRNFKKLZDAL-CVDCTZTESA-N 443.551 5.032 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccccc2C)[nH]n1 1819310249 VWTIRFLUEMHJQE-FYYLOGMGSA-N 434.584 5.111 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C(C)(C)C)oc3C)CC2)C1 1823698654 ZXPMZENPPXRQFX-QFIPXVFZSA-N 426.601 5.085 30 20 IKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830493238 VKPFEHIIORSMPW-AREMUKBSSA-N 444.575 5.126 30 20 IKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3)n2)nnc1-c1ccccc1 9334268 JICOXUTXJRBADY-UHFFFAOYSA-N 447.589 5.565 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(N3CCCCC3)cc2)nnc1-c1cccc(C)c1 9928896 GLFXYFCRRPXPJG-UHFFFAOYSA-N 447.608 5.161 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccccc2C)cc1 11167425 YYZZMPAYPZTRKD-UHFFFAOYSA-O 448.656 6.192 30 20 IKED Cc1ccc(-n2c(N/N=C3/C(O)=Nc4ccc(Cl)cc43)nc3ccccc3c2=O)c(C)c1 19333615 XZSDFMJDOYYOBN-UHFFFAOYSA-N 443.894 5.074 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(OCC)cc2)=C(/S)Nc2ccc(F)cc2)cc1 22730512 GQACZOJEIUEDQN-UHFFFAOYSA-O 437.560 5.515 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cnn(-c4ccccc4Cl)c3)c2)cc1 64393378 XZBAPCYLRIDVFS-UHFFFAOYSA-N 442.906 5.423 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccccc1OCc1ccccc1 78720094 XOYXLFXPVQVSAG-IBGZPJMESA-N 432.545 5.677 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)o1 109348836 XLJHLEBGILUVLA-UHFFFAOYSA-N 425.488 5.231 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)cc1Cl 195622704 GXUZGCSFOHCKIY-OAQYLSRUSA-N 432.907 5.338 30 20 IKED COc1ccc(Cn2c(S[C@@H](C)c3ccc(C#N)cc3)nc3ccccc3c2=O)cc1 303667719 FOJPPMZIYXEVLO-KRWDZBQOSA-N 427.529 5.178 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCc1coc(-c2ccc(F)cc2)n1 303764686 FUPNRZUTSWOFLO-UHFFFAOYSA-N 434.389 5.037 30 20 IKED CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H](C)c1ccc(C#N)cc1 430312166 ATUHFKVEKBOAKE-ZDUSSCGKSA-N 428.319 6.134 30 20 IKED Cc1noc(C)c1CSc1ccccc1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 430640814 HZXFFGPVXKMZTJ-INIZCTEOSA-N 425.579 5.828 30 20 IKED N#CCCn1cc(CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)c(-c2ccncc2)n1 435124228 MWXDMFXPRAXSFD-UHFFFAOYSA-N 425.458 5.042 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)Cc3cccc(Cl)c3Cl)s2)cc1 436413988 OTSUDEGZDBSIIK-UHFFFAOYSA-N 435.361 5.190 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F 437834357 CSGPPNBEVXSHKT-GKVSMKOHSA-N 429.495 6.413 30 20 IKED CCCc1c(NC(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)cnn1-c1cccc(C#N)c1 439698416 VVZUBPXDRKBLCI-LJQANCHMSA-N 449.942 5.035 30 20 IKED Cc1nnc(Sc2ccc(NC(=O)c3cn(CCCC#N)c4ccccc34)c(C)c2)s1 444150060 WYSJGORKWCDMIL-UHFFFAOYSA-N 447.589 5.817 30 20 IKED N#Cc1ccc(CSCC(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)cc1 460179113 XLKWZFNUPKHAGO-UHFFFAOYSA-N 431.948 5.550 30 20 IKED COc1ccccc1-c1noc([C@@H](C)NCc2cccc(OCc3ccccc3C#N)c2)n1 462745379 KZZZSFWLFXCCIM-GOSISDBHSA-N 440.503 5.047 30 20 IKED N#Cc1cccc(-n2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)n2)c1 467186962 NYVHYKSYONLTTE-SFHVURJKSA-N 429.892 5.011 30 20 IKED N#Cc1cccc(NC(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1 468916911 IYWFHLSFYKHOMZ-QGZVFWFLSA-N 443.347 5.201 30 20 IKED Cc1c(COc2ccccc2)cccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 471471662 OWXFMIMTMCVBDD-UHFFFAOYSA-N 435.483 5.885 30 20 IKED CC(C)(C)c1nsc(Oc2ccc(NC(=O)Cc3ccc(C#N)cc3)cc2Cl)n1 474400444 VNIVKIPUIKSUJH-UHFFFAOYSA-N 426.929 5.334 30 20 IKED Cc1nc(SCC(=O)N2CCCC[C@H]2c2ncc(-c3ccccc3)[nH]2)c(C#N)c(C)c1C 476915450 LJLLCERJJPANOR-QFIPXVFZSA-N 445.592 5.115 30 20 IKED CC[C@H](C)n1ncc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1C1CC1 477323164 PIDQUQQQGQCZEG-HNNXBMFYSA-N 434.927 6.301 30 20 IKED C[C@@H](Cc1cncc2ccccc12)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 478728856 YMIDVXAYVMNNRT-HNNXBMFYSA-N 445.573 5.068 30 20 IKED Cc1cc(Br)cc(Cl)c1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 480825963 DLMONZJKNICDCB-CQSZACIVSA-N 431.639 5.424 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 481257089 WVNIBFBTLRRVQN-UHFFFAOYSA-N 431.920 5.735 30 20 IKED C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccc([N+](=O)[O-])c1 481565636 DACMMXZGGNISOY-OAHLLOKOSA-N 434.427 5.067 30 20 IKED COCc1cc(CNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)ccc1F 482330715 VMZGGVPHESCBSF-INIZCTEOSA-N 438.343 5.094 30 20 IKED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)cc1 483448124 PHOFIHQVCBJAPN-YCRPNKLZSA-N 445.972 5.079 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2cc(C(F)(F)F)ccc2Br)cc1 484801487 ZHCAKVLVZNYMBE-UHFFFAOYSA-N 429.261 5.211 30 20 IKED COc1cc(Cl)c(Cl)cc1NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 485882557 JNJRZLMLKDICNF-UHFFFAOYSA-N 443.334 5.648 30 20 IKED COc1cc(C#N)ccc1CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 499320475 SIVIOWNCBSAOQV-UHFFFAOYSA-N 433.924 5.155 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)n2)c1 501101030 LFRVFWLRNMJDLT-UHFFFAOYSA-N 448.511 5.182 30 20 IKED C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)N3CCCN(c4ccccc4C#N)CC3)c2)C1 503366645 XTOFNKJLVNLWQH-PXDATVDWSA-N 446.595 5.398 30 20 IKED C=CCCc1ccccc1NC(=O)NCc1ccc(Oc2c(OC)cccc2OC)nc1 505038338 IPYNCBWSVIKORC-UHFFFAOYSA-N 433.508 5.331 30 20 IKED CCOc1ccc(Br)cc1CN(C(=O)Nc1ccc(CC#N)cc1)C1CC1 510022276 ZPOGEEZOCXVNEC-UHFFFAOYSA-N 428.330 5.110 30 20 IKED COc1cccc([C@@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 510025061 YATQDPMDNMFSRA-ZCYQVOJMSA-N 445.950 6.373 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccc3ccccc3c2)C2CC2)cc1 511013893 OXJJGMAABFUWDL-UHFFFAOYSA-N 439.559 5.851 30 20 IKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 511411356 FHQIKJPLBHJQTG-APMMTJHUSA-N 446.473 5.065 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccccc2)cc1Cl 511504744 ISEUMCBIRIKELP-ISKFKSNPSA-N 443.934 5.298 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ccccc2Cl)o1)c1nc(O)c2c3c(sc2n1)CCCC3 513665778 HXTIKVDEJWBTLC-CQSZACIVSA-N 449.919 5.679 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2ccccc2OCc2ccccc2Br)n1 513677079 QBOOZTGOFIXGRC-MRXNPFEDSA-N 427.323 5.283 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCNC(=O)c2ccccc2)cc1Cl 515240622 GONGOSDPMKSGNE-QFIPXVFZSA-N 431.923 5.144 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCOc3ccc(F)cc3Cl)c2)c1 516131308 WWHKFWLGWABSGG-UHFFFAOYSA-N 437.858 5.011 30 20 IKED Cc1ccccc1-n1nc(C)c(CN(C)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1C 517532630 OUFJIZITBAOPEE-SFHVURJKSA-N 447.608 5.856 30 20 IKED CO[C@](C)(C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1ccccc1 518536262 MDHNBEPUGCCICK-NRFANRHFSA-N 445.466 5.125 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCCN3C(=O)c3cccs3)cc2)cc1 519028232 FIAMOBPFFBZPGJ-NRFANRHFSA-N 431.517 5.045 30 20 IKED COc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC(F)F 519989329 NWQAQMXSZBEFIX-UHFFFAOYSA-N 439.418 5.282 30 20 IKED Cc1cc(-c2noc(CCC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)n2)ccc1F 520562083 PGIHGORTTSFLBW-UHFFFAOYSA-N 442.450 5.419 30 20 IKED Cc1cc(N2CCSCC2)ccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 521094278 XRSANMXRPFYHSM-UHFFFAOYSA-N 443.572 5.659 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3csc(Nc4ccccn4)n3)c2)cc1 522936938 MRELDVVRJVIQQD-UHFFFAOYSA-N 441.516 5.179 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCCc3ncc(-c4ccccc4)o3)cc2)c1 524411212 SBBYXSLWHLDUJP-UHFFFAOYSA-N 437.499 5.754 30 20 IKED Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)Nc2cc(C)nn2CCC#N)cc1 531554474 CXLCYTTVPKPXPD-UHFFFAOYSA-N 441.560 5.385 30 20 IKED COc1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c(OC)c1OC 534889429 RCQZQLNLNNPFOY-UHFFFAOYSA-N 438.867 5.282 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nn1-c1ccc(F)cc1 537476490 ARUFABZTVYEKIW-HNNXBMFYSA-N 438.434 5.212 30 20 IKED N#CCCn1cc(CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)c(-c2ccccc2)n1 538762537 WIJZZWFKADQBNY-FQEVSTJZSA-N 431.609 5.179 30 20 IKED C[C@H](NCCNC(=O)c1c(F)cccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 539078781 UBKZGCNIJMSTSG-JTQLQIEISA-N 440.334 5.083 30 20 IKED COc1ccc(CN(Cc2csc(Br)c2)C2CC2)cc1OCCCC#N 539849230 CTGDACGRANWSAU-UHFFFAOYSA-N 435.387 5.366 30 20 IKED Cc1nc(C2CCCCC2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 540376274 MIZADDOKTXGYSQ-GOSISDBHSA-N 432.574 5.984 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(Oc2ccc(F)cc2F)CC1 540879319 HSOOUEGJALYUKP-UHFFFAOYSA-N 434.442 5.312 30 20 IKED Cc1cc(Br)cc(Cl)c1C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 540890183 QROAIRMNIUKQRI-CQSZACIVSA-N 447.638 5.304 30 20 IKED CN(C(=O)c1ncccc1C(F)(F)F)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 541250675 AFNXTAUSRMVZMB-CYBMUJFWSA-N 430.270 5.495 30 20 IKED O=C(Nc1ccc(O)cc1F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 542098871 RVVXLAUNSAXGOD-POALUMOJSA-N 439.371 5.592 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CN[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c1C 542122685 HXUORWMCJHWZGO-DEOSSOPVSA-N 446.982 5.172 30 20 IKED CCC(C)(C)OCc1ccccc1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 543645986 DZODQHVVJPXNGG-UHFFFAOYSA-N 436.556 5.170 30 20 IKED CCOc1cc(Cc2noc([C@H](C)Oc3ccc(C#N)cc3)n2)ccc1OCC(F)(F)F 546370176 YEBLUBLKWWOESI-AWEZNQCLSA-N 447.413 5.012 30 20 IKED N#CCCC[C@H](NC(=O)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1)c1ccccc1 551597310 MSARYPJTZXYMHE-NRFANRHFSA-N 439.943 5.151 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](CCCC#N)c3ccccc3)cc2)cc1 551598645 JYBMVQCJQYPJIL-XMMPIXPASA-N 427.504 5.277 30 20 IKED C=CCC[C@H](NC(=O)NCc1ccc(C[S@](C)=O)cc1)c1ccc(C(F)(F)F)cc1 553993893 XDQFLPQHTSLASZ-WRGVRERRSA-N 438.515 5.091 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(OCC2CC2)CC1 555244494 NKAPZTOSKUCZHA-HXUWFJFHSA-N 446.595 5.543 30 20 IKED C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 555267130 OMXPJKUSBMCAKZ-DEOSSOPVSA-N 449.643 5.061 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1F 556419024 PPVLFWKLOCFMOV-UHFFFAOYSA-N 426.329 5.027 30 20 IKED Cc1cnccc1OC1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 562487585 IJHKICBYLOFMOS-UHFFFAOYSA-N 443.572 5.238 30 20 IKED C=CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 567796055 XONCFJPAFSEXML-CQSZACIVSA-N 449.374 5.036 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3cccc(Br)c3Cl)cc2)ccn1 577669082 GPRCWMJGNBRHSD-UHFFFAOYSA-N 428.673 5.414 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cc(-c3ccccc3)on2)cc1 582314207 LWEXLFOODFRPSS-UHFFFAOYSA-N 425.513 5.436 30 20 IKED C=CCN(Cc1cccs1)C(=O)N[C@@H]1c2cc(Br)ccc2SC[C@H]1C 591420312 RSDBEDJJJTYIOL-ACJLOTCBSA-N 437.428 5.691 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)CSc3ccccc3)s2)c(C(F)(F)F)c1 603672593 OCIMXBQHCPBJDL-UHFFFAOYSA-N 433.480 5.355 30 20 IKED C=CCOc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1OC 603920801 AYUILYVXLAMCSM-UHFFFAOYSA-N 428.488 5.157 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])cc1Cl 603962436 XKXOQMWTSKQXCC-IBGZPJMESA-N 435.867 5.311 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cc1C 604449042 AIQMKWYYZPFTLW-UHFFFAOYSA-N 440.469 5.372 30 20 IKED COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)N(C)C2(C#N)CCC2)s1 604465595 QNXORHORFCJQMM-UHFFFAOYSA-N 432.549 5.009 30 20 IKED CN1CCC[C@@H](CNC(=O)c2cc(F)c(F)c(F)c2F)[C@@H]1c1ccc(C(F)(F)F)cc1 605104179 WULWBCLHZPMZJA-BUXKBTBVSA-N 448.382 5.075 30 20 IKED C[C@@H]1c2c(F)cccc2CCN1C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 606641868 AWNOKBBVORKVJJ-RAIGVLPGSA-N 426.376 5.364 30 20 IKED CO[C@@H](C)c1cccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 608883181 WECFLWHAAWPVNZ-KRWDZBQOSA-N 445.544 5.249 30 20 IKED C[C@@H](c1cccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1)N1CCOCC1 609299312 GRXRAXIPAILEQY-SFHVURJKSA-N 445.494 5.135 30 20 IKED CC(C)NC(=O)Nc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1 609306928 LUMXQRZAVQODGF-UHFFFAOYSA-N 432.455 5.272 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1n[nH]c(C(C)C)c1Br 609316613 XXDBYKCVJCCBQG-UHFFFAOYSA-N 439.313 5.520 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccc(F)c(F)c4)C3)cc2)c1 609433751 FVFVVWPLHGPKTF-QHCPKHFHSA-N 435.430 5.234 30 20 IKED Cc1ccnc(-c2cccc(N[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)c2)n1 609676818 YRLSFEIRWXOVCH-MRXNPFEDSA-N 431.565 5.093 30 20 IKED COc1ccc(COCCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 609856723 FELOQPJRRAYFLH-HSZRJFAPSA-N 434.923 5.549 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)N[C@H](C)c2cccc(C#N)c2)nc1-c1ccccc1 610500028 KKVAFSUSEIWWTJ-GCJKJVERSA-N 428.536 5.944 30 20 IKED CCOC(=O)c1sc(NC(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)c(C#N)c1C 611491525 OMODSLAUSPETDL-UHFFFAOYSA-N 447.488 5.067 30 20 IKED COc1ccc(-c2nc(CNc3ccc4c(c3)CCC(=O)N4CCCC#N)cs2)cc1 615728720 ZDWRXTJYGZZHQM-UHFFFAOYSA-N 432.549 5.014 30 20 IKED C=CCn1c(SCc2csc(-c3cccc(OC)c3)n2)nnc1-c1ccc(F)cc1 669910418 ILJVTJAZLBFYQM-UHFFFAOYSA-N 438.553 5.695 30 20 IKED O=C(c1ccc(C(F)(F)F)cc1N1CCCC1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 671753119 CXBIPZOUBIVLLU-BETUJISGSA-N 448.329 5.118 30 20 IKED C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 681511302 GIAPAUDVBQTOCH-GCHJQGSQSA-N 428.339 5.268 30 20 IKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Cl)c1SC(F)F 726078947 NEWSFPKJGLMDJW-UHFFFAOYSA-N 438.931 5.122 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C\c3c(F)c(F)c(F)c(F)c3F)SC2=S)cc1Cl 726626218 BFWNBWCFPHMARW-ONNFQVAWSA-N 446.809 5.313 30 20 IKED CCN(CC)c1ccc2cc(C(=O)/C=C\c3cccc(OCCCC#N)c3)c(=O)oc2c1 726743365 FEXRVOFRWWNBHA-RAXLEYEMSA-N 430.504 5.218 30 20 IKED N#C[C@H]1CN(C(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)CCN1C1CC1 732650713 CMQIGZJXWNXQJI-IBGZPJMESA-N 446.403 5.098 30 20 IKED CC(C)c1ccc2c(Cl)c(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)sc2c1 732707634 BZXKNMDLQDMHEN-AWEZNQCLSA-N 431.344 6.293 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(Oc3ccc(F)cc3)cc2)ccc1OC 733231836 JLEIQOUKPAZMIL-HXUWFJFHSA-N 434.467 5.238 30 20 IKED N#C[C@@H](NC(=O)/C=C\c1ccc2ccc(Cl)cc2n1)c1ccccc1Br 733267236 UYASANNXUAMVSC-ZBTAVZRMSA-N 426.701 5.045 30 20 IKED C#CCN(C(=O)Nc1cccc([C@H](C)OC)c1)[C@H]1CCOc2ccc(Br)cc21 733632029 NPYFHDVITAKFDP-YWZLYKJASA-N 443.341 5.147 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(C)[C@@H](C)c2cccc(C(F)(F)F)c2)ccc1OC 733652816 GTGKVTGGMBEAON-KXBFYZLASA-N 449.473 5.298 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@@H](c3ccccc3)C3CCOCC3)cc2)cc1 734352125 OFJDAYLXVRWXNP-SANMLTNESA-N 426.516 5.443 30 20 IKED CC(=NNc1cccc(C(F)(F)F)n1)c1cccc(OCc2cn3ccccc3n2)c1 739420786 AFJQUNFJDFQZNJ-UHFFFAOYSA-N 425.414 5.163 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)C3(c4ccccc4Cl)CCOCC3)c2)s1 739594871 SGWVLUMOMIOYDB-UHFFFAOYSA-N 436.964 5.305 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)NCc3ccc(OCC#N)cc3)s2)cc1 740049561 XAVDAAVPPFNHLQ-GOSISDBHSA-N 434.565 5.232 30 20 IKED C#CCOc1ccc(F)cc1NC(=O)c1sc2cc(Br)ccc2c1Cl 741644348 YZKDZXUKBFROAI-UHFFFAOYSA-N 438.705 5.721 30 20 IKED Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)c1ccccc1OCC#N 741962520 DHKGVQWPFSAHQI-UHFFFAOYSA-N 442.494 5.886 30 20 IKED C[C@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2)no1 743216007 CCQBXCZQYHIJBV-JTQLQIEISA-N 435.793 5.163 30 20 IKED CC(=O)C1=C(c2ccc(C)cc2)N(CCc2cccs2)C(=O)N[C@@H]1c1scnc1C 743740922 BRQCYBHMQQRMPU-FQEVSTJZSA-N 437.590 5.131 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1)c1cccc(C#N)c1 743777218 QMCYGKOHYPYMBS-LJQANCHMSA-N 449.620 5.370 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(C(=O)N(C)CC(C)(C)C)c2)cc1 744032717 IEQQZTHNAOZWRP-JPYJTQIMSA-N 447.579 5.279 30 20 IKED COc1cccc(CN(C(=O)c2ccc(C#N)c(Cl)n2)C23CC4CC(CC(C4)C2)C3)c1 753013510 ZPOYVQVNJXFYBG-UHFFFAOYSA-N 435.955 5.226 30 20 IKED Cc1oc2cc(OC[C@@H](O)c3ccc(C#N)cc3)ccc2c(=O)c1-c1ccccc1Cl 755307120 MEVCVAZHAKMNMP-JOCHJYFZSA-N 431.875 5.406 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cs1 759118667 COQUCYHTLDIDLA-WQLSENKSSA-N 445.544 5.262 30 20 IKED CCc1cc[n+](/C(C(=S)Nc2cccc3ccccc23)=C(/O)c2ccc(C#N)cc2)cc1 762438306 NNAVUOBZABGBHI-UHFFFAOYSA-O 436.560 5.885 30 20 IKED N#C[C@H](C(=O)CCc1cncc2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1 765585612 CLRSSNLWGRMGKK-HSZRJFAPSA-N 435.483 5.307 30 20 IKED C=CCn1c(SCC(=O)N(CCC#N)c2ccc(C)c(C)c2)nnc1-c1ccccc1C 768411183 JOMZAJFEGSOHRX-UHFFFAOYSA-N 445.592 5.095 30 20 IKED COC1CCN(c2ccc(NCc3cccc(OCCCC#N)c3)cc2C(F)(F)F)CC1 770563350 HFSANALZPNLISN-UHFFFAOYSA-N 447.501 5.615 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3c(ncn3-c3ccccc3)C2)cc1 775488708 RLKSJWNMNHPEMN-XMMPIXPASA-N 433.515 5.118 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)cc1 777807285 HJHVGHPGMVLSFM-BVAGGSTKSA-N 438.575 5.787 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccccc1SCC#N 779138870 RBQDLQXCKALBDK-FQEVSTJZSA-N 437.565 5.457 30 20 IKED Cc1nc(-c2ccccc2)ccc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 780305113 FWMLNLICBOEVCQ-HSZRJFAPSA-N 447.494 5.811 30 20 IKED O=S(=O)(c1ccc(CN[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1)C(F)F 780391920 GSCURXBOKQPZPZ-AWEZNQCLSA-N 447.347 5.095 30 20 IKED COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 780669327 BYMQKGRKGHGPOZ-SBUREZEXSA-N 433.483 5.231 30 20 IKED N#Cc1csc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2C(F)(F)F)c1 781376853 UFWAHLQWVLKBCL-LJQANCHMSA-N 430.451 5.015 30 20 IKED O=C(/C=C/c1ccc(SC(F)F)cc1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 781550181 NNRVDZFMDVELGO-XCVCLJGOSA-N 436.423 5.233 30 20 IKED CSCCCCCCNC(=S)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C 782203087 WUVBAYXVZKRHRR-UHFFFAOYSA-N 429.630 5.810 30 20 IKED CC(C)c1cc(C(=O)[C@@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)nn1C(C)(C)C 787050790 MDMCRUMDQUPTMV-CZUORRHYSA-N 449.382 5.268 30 20 IKED C=CC[C@H](NC(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1)c1ccncc1 787242925 POCCRBVVNHJKBM-VWLOTQADSA-N 427.548 5.059 30 20 IKED C=CCn1c(COc2ccccc2)nn(CN2CC[C@H](C(F)(F)F)C(C)(C)C2)c1=S 790460037 IKKADZAWNNLMII-KRWDZBQOSA-N 440.535 5.047 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(C(F)(F)F)cnc1Cl 790903664 KPUYCDGKRGEFLU-UHFFFAOYSA-N 445.828 5.765 30 20 IKED Cc1cc([C@H](OC(=O)Cc2ccc(OCC#N)cc2)C(F)(F)F)ccc1Br 792138467 RZEKTLIOUUGWNZ-SFHVURJKSA-N 442.231 5.049 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccnn2-c2ccccc2)cs1 798372261 JWFBAXCJDINYRQ-RAXLEYEMSA-N 428.517 5.218 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2(c3cncc(Br)c3)CC2)cc1 798394730 NJLLWUDCDJCIKJ-OAQYLSRUSA-N 432.321 5.170 30 20 IKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CC(F)(F)F)c1 799222514 AMLKLDMXFIPAJT-GOSISDBHSA-N 449.498 5.080 30 20 IKED COCc1nc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(-c2ccccc2)s1 799309066 ZIFYYZBJJJZNKO-JOCHJYFZSA-N 439.540 5.864 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] 803179418 IQVDWGBGDKDETQ-UHFFFAOYSA-N 446.345 5.284 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)cc2)ccn1 810820484 XGUOGLPPFDQFQO-UHFFFAOYSA-N 449.392 5.202 30 20 IKED N#C[C@H](C(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1)c1cc(C(F)(F)F)ccn1 813210884 APNZPRFFOSWRID-HRAATJIYSA-N 448.416 6.088 30 20 IKED COc1ccc2ccc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)cc2c1 814499715 UMEQHTZALVIEEO-MRXNPFEDSA-N 434.517 5.038 30 20 IKED C=CCOc1ccc(CN2CC3(CCOCC3)[C@H]2c2cnn(CC(C)C)c2)cc1Cl 849479253 OTTIRQYTUQCKCI-HSZRJFAPSA-N 429.992 5.111 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915086204 HYERWVHNJFGPRK-QHCPKHFHSA-N 427.504 5.941 30 20 IKED Cc1ccc(C(=O)N2CCC[C@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)C2)cc1 915100014 KICCPSVSLVOGAU-FCHUYYIVSA-N 443.572 5.156 30 20 IKED CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915353662 PZQOGZXWIUZKEZ-JOCHJYFZSA-N 439.437 5.905 30 20 IKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc([C@@H](C)CC)cc2)NC1=O 916232741 PVEVFSYMYHQOOD-HRAATJIYSA-N 439.581 5.237 30 20 IKED N#CCOc1cccc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CC3)c1 916411494 YTRCUXZRKXJKNE-ICFOKQHNSA-N 437.524 5.938 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)cc1 916951232 XYKNDXMMLKAQCC-GYCJOSAFSA-N 446.526 5.032 30 20 IKED COc1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916996697 OCSQMMSEYDGULD-YVEFUNNKSA-N 447.343 5.769 30 20 IKED Cc1onc(-c2ccc(F)cc2)c1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042881 HNMBUQRJLRDAHR-AWEZNQCLSA-N 445.397 5.908 30 20 IKED C#CCN(Cn1nc(-c2cccnc2)n(-c2ccccc2)c1=S)[C@H]1CCc2ccccc21 917457051 QHKYWEIQFPBUEG-DEOSSOPVSA-N 437.572 5.045 30 20 IKED CCOc1c(Cl)cc(/C=C\C(=O)c2cnc3sc(C(=O)OC)c(C)c3c2)cc1OC 918156152 MFEDNCNMPWDSMV-SREVYHEPSA-N 445.924 5.348 30 20 IKED CCOc1cccc2c1OCC(C(=O)[C@@H](C#N)c1nc(-c3c(F)cccc3F)cs1)=C2 920806815 QIXBVOITANNQIX-OAHLLOKOSA-N 438.455 5.139 30 20 IKED CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)c2ccc(C3SCCCS3)cc2)CC1 925497364 VOAAPJBJFSZMJI-BNGSBABLSA-N 446.638 5.031 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc[nH]c5cc4Cl)CCC3)cc2)C1 1785807720 NXKBQCCYDPZGGR-UHFFFAOYSA-N 433.939 5.535 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cn(C)c4ncccc34)CCC2)cc1 1786103732 WMCSPBAJZNFMHE-UHFFFAOYSA-N 442.563 5.089 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)Cc3ccc4ccccc4c3)cc2)CCC1 1787701129 OOBJLFCJCWSGBN-UHFFFAOYSA-N 425.532 5.066 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1cccc(C(F)(F)F)c1 1793936275 SXTUTHIYJPXAFC-AYGBXWCCSA-N 446.513 5.125 30 20 IKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2c(Cl)cccc2s1 1797648961 SZFQGJAINCZDLF-BCDXTJNWSA-N 443.012 5.575 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)[nH]n1 1821920059 CQJJPEHPCSFSJK-KBXCAEBGSA-N 440.544 5.282 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccccc23)CC1 1828010708 AIPNRCJISFVGOP-QHCPKHFHSA-N 440.534 5.285 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3[nH]ccc3s2)CC1 1828334828 YEEZHUYQIFCMIK-CTNGQTDRSA-N 439.625 5.231 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)ccc2F)CC1 1828826948 FYKQCKDWIOULCK-QPPBQGQZSA-N 426.576 5.136 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cccc(C)c3[nH]2)CC1 1828828270 GTUSUEVWAZMGTN-NOZRDPDXSA-N 447.623 5.478 30 20 IKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 1831306457 DVIOYEFZVXDLLQ-UKILVPOCSA-N 443.031 5.113 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc3ccccc3c2)CC1 1831369635 CHZMQSCBSHMQRY-RLWLMLJZSA-N 432.608 5.214 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1 1831371908 OMKVLHRXAILFCE-WMZHIEFXSA-N 449.595 5.096 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 1831375437 WLNXIAYADIARLS-DYESRHJHSA-N 436.518 5.151 30 20 IKED C=CCn1c(C)cc(C(=O)COC(=O)c2ccccc2SCc2c(C)noc2C)c1C 8712628 CYJMWZWJZIWDSQ-UHFFFAOYSA-N 438.549 5.228 30 20 IKED COc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccccc3)sc2C)cc1 23938853 KAXQGIYZTUYJCX-KRWDZBQOSA-N 448.544 5.224 30 20 IKED CC(C)CC(=O)Nc1cccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)c1 64827066 KSBDBDCKNILSDB-UHFFFAOYSA-N 443.572 5.624 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)c(Cl)c2)cc1OC 64837269 YMABQJJZFUVUKW-MRXNPFEDSA-N 442.943 5.180 30 20 IKED CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)[C@@H](C)Oc2ccc(C#N)cc2)c1 105518471 XXPJHWHCRWGILY-WOJBJXKFSA-N 441.531 5.074 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 195662412 JOIVZAOHJVQQLD-INIZCTEOSA-N 436.949 5.781 30 20 IKED CN1/C(=C/C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)C(C)(C)c2ccccc21 205750709 DXWCUJIBTUQEGX-HZHRSRAPSA-N 444.604 5.177 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)nnc1-c1ccccc1F 218659994 GQXHKRYJANPYFK-CRAIPNDOSA-N 442.585 5.176 30 20 IKED C=CCOc1c(Br)cc(CNC(C)(C)c2nc(C)c(C)s2)cc1OCC 236910669 ZQRSTYYCCCNZBT-UHFFFAOYSA-N 439.419 5.511 30 20 IKED N#CCCCOc1cccc(CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 237910143 LLOPOJFWKFGQOM-UHFFFAOYSA-N 431.483 5.801 30 20 IKED C=CCc1cc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc(OC)c1OC 302877743 UCJSBGQKRQNOLW-OAQYLSRUSA-N 425.575 5.343 30 20 IKED CCc1nc(COc2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)cc2)no1 303582122 DZWBNOXWGZKANW-UHFFFAOYSA-N 440.459 5.127 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C3(c4cncc(Br)c4)CC3)cc2)c1 409671551 CGYIFUSJFLEGDX-UHFFFAOYSA-N 434.293 5.178 30 20 IKED CC(C)(C)N1C[C@@H](c2nc(-c3ccc(C(F)(F)F)c(F)c3)no2)[C@H](C(F)(F)F)C1 426390460 JYETXIZPTGTZSJ-ZYHUDNBSSA-N 425.348 5.271 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 429209835 VXWUYTOXUDNNAQ-ZEQRLZLVSA-N 430.552 5.509 30 20 IKED CCCn1ccnc1CCCN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 429763601 IKJGXZLSZOYXAE-UHFFFAOYSA-N 447.539 5.062 30 20 IKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)cc(-c3ccco3)nc21 430599509 VRGVSRRPQUIOAL-OAHLLOKOSA-N 433.537 5.516 30 20 IKED CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)N[C@@H](CCCC#N)c1ccccc1 431908994 IZQMRMOIPIUUGL-DEOSSOPVSA-N 429.568 5.231 30 20 IKED Cc1nnc(SCc2c(C(=O)N3CCCC(C)(C)[C@@H]3C#N)oc3ccccc23)s1 434030171 GLLIPPKMACRCAD-KRWDZBQOSA-N 426.567 5.039 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1F 437460655 HJZRMPDBTQBNTA-UHFFFAOYSA-N 445.425 5.855 30 20 IKED COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(C#N)cc1)CCO2 437840708 MTGNRXRHIKVWHY-DFBJGRDBSA-N 441.531 5.363 30 20 IKED Cc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438647876 IQWVDBQJMZYJKT-UHFFFAOYSA-N 446.482 5.209 30 20 IKED C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CSc1ccccc1C#N 439696808 TXBNZXPOUHTFRR-GOSISDBHSA-N 429.545 5.122 30 20 IKED Cc1cc(C#N)ccc1C(=O)Nc1ccc(N(C)C(=O)c2ccc(C#N)cc2C)c(Cl)c1 440054745 UDBACPYVHLWNJU-UHFFFAOYSA-N 442.906 5.229 30 20 IKED CC(C)[C@@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 441886689 JUTMZDPLCALDDY-DEOSSOPVSA-N 445.494 5.284 30 20 IKED COc1ccc(CNC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1OCCCC#N 446834509 KNILTPBKUBDIBT-UHFFFAOYSA-N 448.485 5.192 30 20 IKED N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccc3ccccc3c2)c1 447125857 RZOFSANIOORGMV-DEOSSOPVSA-N 439.902 5.209 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)cc1 447437830 CRESSAQEHFXWEC-UHFFFAOYSA-N 436.427 5.138 30 20 IKED Cc1nnc(-c2cccc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)c2)o1 460399775 JSPBMHQJQNZALX-UHFFFAOYSA-N 430.851 5.615 30 20 IKED C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](c2nncn2C2CC2)C1 460774384 NEESRSAFMPUQEU-HXUWFJFHSA-N 445.615 5.129 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1Cc2ccccc2C2(CC2)C1 460796615 RTUATRSCJLSXOU-UPVQGACJSA-N 426.564 5.151 30 20 IKED COc1cccc(O[C@@H](C)CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 461377056 IEIAYZIKPSWUIM-SFHVURJKSA-N 432.545 5.056 30 20 IKED CCC(CC)c1cc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)on1 466114764 FTGGXTUAJDXKKC-OAQYLSRUSA-N 436.943 6.209 30 20 IKED O=C(c1c(F)c(F)cc(F)c1F)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 468618710 DJGPPXCWCARRQW-UHFFFAOYSA-N 442.334 5.499 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2nc3c(s2)CCCC3)cc1 475595413 KKYXKMMJLDGTHK-UHFFFAOYSA-N 448.548 5.358 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 481106899 MAIYLTCBCJTHBY-RPBOFIJWSA-N 441.531 5.315 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)N[C@@H](C)c2ccc(C#N)cc2)nc1-c1ccccc1 481294915 MVRWYAUVWASEBW-AVRDEDQJSA-N 428.536 5.944 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Br 485401416 UDWMEEAOFMPMQC-NSHDSACASA-N 445.791 5.298 30 20 IKED CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 487444340 IJUHDRCFXODRAK-UHFFFAOYSA-N 448.544 5.120 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2)c2ccccc2)nnc1-c1cccs1 489424265 IHWOMVINSIFCKH-FQEVSTJZSA-N 432.574 5.665 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)C2(C)CCCC2)c1 490671983 JMPZBJRYQUAIDS-UHFFFAOYSA-N 447.000 5.126 30 20 IKED N#Cc1cccc(C2(NC(=O)N[C@@H]3CCCc4nc(-c5ccc(F)cc5)sc43)CC2)c1 494697643 QVQAMCHFTGWGAB-HXUWFJFHSA-N 432.524 5.187 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 497509259 WJRBVPUBABPWDM-FQEVSTJZSA-N 448.567 5.065 30 20 IKED C[C@H](NC(=O)C1(Cc2ccc(F)cc2)CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 498946320 FOOPRJCECGVGFW-FQEVSTJZSA-N 442.534 5.581 30 20 IKED CC(=O)c1ccc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1Cl 504219378 PBOUDKWSQREPNB-UHFFFAOYSA-N 430.335 5.313 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2c(C)nn(CC(C)C)c2C)cc1 505618733 JEHSMJHSNARSEG-UHFFFAOYSA-N 432.524 5.010 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCc1nc(-c2ccc(Br)s2)no1 511666693 OYZOEWFLRVMKJB-LLVKDONJSA-N 435.372 5.567 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)c1ccccc1C(F)(F)F 511727676 CHHQXTHONIWDCW-UHFFFAOYSA-N 432.423 5.479 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F 511872733 JDEUKPONBXQBJV-IEBWSBKVSA-N 429.536 5.034 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1Cc1nc([C@H](F)c2ccc(C(F)(F)F)cc2)no1 512018213 WWTBMIWAERQQNZ-OAHLLOKOSA-N 436.331 5.114 30 20 IKED N#Cc1c(NC(=O)c2csc(-c3ncccc3F)n2)sc2c1-c1ccccc1CC2 512922069 VALACUJFDQKJIX-UHFFFAOYSA-N 432.505 5.295 30 20 IKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)[C@H](C#N)c3nc4ccccc4n3C)o2)cc1 513653085 DDRGSVKGDVNXGL-NRFANRHFSA-N 432.483 5.694 30 20 IKED C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1ccc(Br)s1 515559805 YRJGLVFDUJEAFQ-INIZCTEOSA-N 440.370 5.168 30 20 IKED CN(C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@H]1CCc2ccccc21 517151492 MXMAFBBCONPTTD-UPVQGACJSA-N 443.934 5.080 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1c(Cl)ccc2cccnc12 517458947 CNDCRNHUHPLPQH-OAHLLOKOSA-N 442.009 6.154 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4cccc(Cl)c4)c3)n2)cc1 518516717 UGOHAYUFSGSOBZ-LJQANCHMSA-N 434.908 5.148 30 20 IKED C[C@H](Oc1ccc2ccccc2c1)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccccc1 521948206 BSCKUZRATOTOSZ-UXHICEINSA-N 425.536 5.358 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1Cl 522740919 SSEWHLCPKFYYIT-IBGZPJMESA-N 440.286 5.738 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F 524967676 OBFXZZVRJSGSCC-RTBURBONSA-N 426.394 5.387 30 20 IKED Cc1ccccc1[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CCO1 525230198 VGFOHLFQAJMNBC-DEOSSOPVSA-N 431.467 5.404 30 20 IKED C=CCN(C(=O)c1ccc([N+](=O)[O-])cn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 532145047 NFJSBFWAHVXCGQ-UHFFFAOYSA-N 435.292 5.253 30 20 IKED Cc1nnc(-c2ccccc2NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)o1 534179394 FBLNEQBOLVPFBX-UHFFFAOYSA-N 430.851 5.615 30 20 IKED CSc1ccc([C@@H](CNC(=O)c2ccc(CC#N)cc2)N2CCc3sccc3C2)cc1 534636683 OTNCJHGGCNSYMH-HSZRJFAPSA-N 447.629 5.065 30 20 IKED CCCn1c(-c2csc(N(C(C)=O)c3cccc(Cl)c3)n2)nc2cc(C#N)ccc21 535352629 BUZYYFQXCOBGFD-UHFFFAOYSA-N 435.940 5.779 30 20 IKED C=CCn1c(SCc2ccc(Br)c3cccnc23)nnc1-c1ccco1 544076657 BMSRKSFFNPNBBL-UHFFFAOYSA-N 427.327 5.327 30 20 IKED Cc1sc([C@H](C)NCCC(=O)Nc2sccc2C#N)nc1-c1ccc(Cl)cc1 544471515 UALKNSJTAQDBMZ-LBPRGKRZSA-N 430.986 5.385 30 20 IKED COc1cc(C#N)ccc1NC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 547415116 CNDBWYYXTMLJEH-UHFFFAOYSA-N 434.323 5.087 30 20 IKED CCN(Cc1csc(N(C(C)=O)c2ccccc2OC)n1)[C@@H](C)c1ccc(C#N)cc1 550381227 CVJYKSIQPHDQCD-KRWDZBQOSA-N 434.565 5.291 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)cc1 553032797 XYODRLWLFFZPSF-UHFFFAOYSA-N 445.429 5.535 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1c(-c2ccc(Br)cc2)c(C)nn1C 557235389 JHJWUPDRZAUREC-UHFFFAOYSA-N 445.386 5.440 30 20 IKED N#CCc1cccc(Br)c1OCC(=O)Nc1ccccc1Oc1ccccc1 568936139 YPJZHALQGZQWOO-UHFFFAOYSA-N 437.293 5.325 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H](c3ccco3)N3CCCCC3)cc2)c1 574541659 QEHCHVVXRRODMO-HSZRJFAPSA-N 430.508 5.292 30 20 IKED C=CCc1cccc(C(C)C)c1NCC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F 577567516 HCTKFVYUXVMSCW-UHFFFAOYSA-N 433.474 5.566 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 588296614 UNXCDMUFNAMNMW-LEWJYISDSA-N 447.348 5.206 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1ccc2ccccc2n1 603627730 IAGMFRZVEIUEDK-IBGZPJMESA-N 444.288 5.675 30 20 IKED N#CCCCOc1cccc(NC(=O)COc2ccc3cc(Br)ccc3c2)c1 603972274 BUNZLXDDAKGLDI-UHFFFAOYSA-N 439.309 5.302 30 20 IKED N#Cc1c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)sc2c1-c1ccccc1CC2 603991502 KZOHOGDMJGTDDF-UHFFFAOYSA-N 444.516 5.146 30 20 IKED C[C@@H](Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)Nc1ccccc1C#N 604044697 HCKPIMZWASXHIT-CYBMUJFWSA-N 427.291 5.491 30 20 IKED CC(C)CCn1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nn1 607274899 WAWIIFVZHYGXKU-AWEZNQCLSA-N 434.352 5.245 30 20 IKED COc1ccc(Br)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1 609064241 MLFHGHAIHYMDHW-UHFFFAOYSA-N 437.293 5.161 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2F)c1 609105471 ZJNVEMZMCRFWIG-UHFFFAOYSA-N 431.379 5.183 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ncoc3-c3ccccc3)cc2Cl)c1 609558525 JROXLHCMZOORIX-UHFFFAOYSA-N 429.863 5.698 30 20 IKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@@H](C)c1cccc(C#N)c1 610363414 ZDDSSKFAVFVEOJ-ZDUSSCGKSA-N 427.335 5.088 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCCC[C@H]2c2noc(C3CC3)n2)cc1 610684315 MHNRRVLSDHOLOS-NRFANRHFSA-N 428.492 5.287 30 20 IKED CCN1CC[C@H](NC(=O)c2c(Cl)cc(C#N)cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 611357495 SJFKETBGGYPGCC-HKUYNNGSSA-N 440.733 5.223 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 614072616 BLUZPVRNJCOWEW-SFHVURJKSA-N 446.576 5.113 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 615080894 YQNURJFISBDXIP-UHFFFAOYSA-N 430.508 5.109 30 20 IKED O=C(CCc1ncc(-c2ccccc2F)o1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618300999 INRZULZLBABZCD-RYUDHWBXSA-N 438.343 5.003 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc(C#N)c(Cl)c2)cc1 619787858 LSRKXIPADWOFDH-UHFFFAOYSA-N 432.867 5.206 30 20 IKED CCOc1ccc(-n2c(S[C@@H](C#N)c3ccc(Cl)cc3)nnc2-c2ccncc2)cc1 619863658 HBKGNEQGTNLRER-NRFANRHFSA-N 447.951 5.738 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)N1CCC[C@H](OC(F)F)C1 679730922 PVSYEWQHICCPFS-JTQLQIEISA-N 434.377 5.298 30 20 IKED C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N/[C@@H](C)c1cccs1 726419034 GOYMOSMANYRKLX-YACQCHSOSA-N 448.013 5.286 30 20 IKED COc1ccc(OCc2nc(C=NNc3ccc(OCC(F)(F)F)cc3)cs2)cc1 727257924 KQAYAWHBWGGLLC-UHFFFAOYSA-N 437.443 5.118 30 20 IKED N#CCOc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 728122808 OMOWUOVCFDQQTA-UHFFFAOYSA-N 446.894 5.015 30 20 IKED C[C@H](C#N)Oc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 728694877 LSBAEEKOWFMQPQ-MRXNPFEDSA-N 439.565 6.786 30 20 IKED CN(C(=O)c1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1)c1ccccc1 729317402 WCZOVVGVOLSQIL-MHZLTWQESA-N 445.522 5.871 30 20 IKED N#C[C@H](C(=O)Cc1coc(-c2cccs2)n1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 730070878 CEZFGASSVRLPKE-QQYMGJJXSA-N 449.601 5.746 30 20 IKED O=C(/C=C\c1cc2ccccc2nc1N1CCOCC1)c1nc(-c2ccccc2)cs1 732572183 ZUJPKQOXRNBCLF-KHPPLWFESA-N 427.529 5.091 30 20 IKED C[C@@H](COc1cccc(C#N)c1)OC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 733861189 LDGFSDUCXRJFDU-ZDUSSCGKSA-N 432.423 5.325 30 20 IKED C=CC[C@@H](NC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1)c1ccncc1 734659876 IGCRCYAXVVWNMN-YADHBBJMSA-N 426.347 6.094 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1 736006378 MDCBLBCCFDXQJB-QFIPXVFZSA-N 433.414 5.069 30 20 IKED O=C(/C=C\c1ccccc1OCc1cccnc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 741447950 RITSOLAJNUXLJO-SSZFMOIBSA-N 447.556 5.273 30 20 IKED N#CCSc1ccccc1NC(=O)CNc1ccc(Cl)cc1[C@@H](O)c1ccccc1 741753581 GSQQYBPCBNIVSU-QHCPKHFHSA-N 437.952 5.088 30 20 IKED N#Cc1ccccc1N1CCC(NC(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)CC1 742193665 JZAZJVBHTKVLJG-VMPITWQZSA-N 433.861 5.029 30 20 IKED CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 743093367 SLHMMSLXSSNVHF-WNCULLNHSA-N 438.575 5.328 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](CSc3ccccc3)C2)cc1 743096201 OFOBZAMIJDAVSB-NLFFAJNJSA-N 427.573 5.988 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)Nc2cc(C#N)ccc2OC(F)F)cc1 743143037 IAMCZLZZXDAYND-CYBMUJFWSA-N 446.454 5.389 30 20 IKED N#C[C@@H](C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1nc2cc(C(F)(F)F)ccc2s1 744939315 VDPJHKGFSKXKKK-AWEZNQCLSA-N 444.394 5.054 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](CC(C)C)c2ccc(Cl)cc2)ccc1OC 745819026 IDQJEKNZDSAHKC-RTWAWAEBSA-N 443.975 5.616 30 20 IKED C[C@@H](c1cccs1)N(CC(=O)[C@H](C#N)c1nc2ccccc2s1)Cc1ccccc1 746156324 IXKZPTPIUDQVSI-HKUYNNGSSA-N 431.586 5.797 30 20 IKED O=C(Nc1cccnc1)/C(=C/c1csc(-c2ccc(Cl)cc2)n1)C(=O)c1ccccc1 747127676 GIEGHZBBOHENID-FYJGNVAPSA-N 445.931 5.764 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)n1 747193355 IRGQGGAYAAKYHT-BBRMVZONSA-N 445.997 6.073 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3CSC3=NCCS3)cn2)c1 747358850 JRZCDRDPFPXLGY-UHFFFAOYSA-N 446.557 5.334 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1ccc(Cl)cc1Cl 749101578 CYZPIAYTYBPYLV-UHFFFAOYSA-N 448.188 6.280 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=S)NCCSc1ccccc1 749102358 LPVASSNGQQCHGP-UHFFFAOYSA-N 439.419 5.243 30 20 IKED COC(=O)C1C/C(=C/c2cccc3cnccc23)C(=O)/C(=C/c2cccc3cnccc23)C1 761487572 VHDXLPAEVVMTHB-SEKXJNOLSA-N 434.495 5.402 30 20 IKED COc1ccc2oc(C=Nn3c(S)nnc3COc3c(Cl)cccc3Cl)cc2c1 763359708 SANMUOCNCXYDOL-UHFFFAOYSA-N 449.319 5.090 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc([C@@H]2CCCOC2)c1 766622961 LRHZBHKJLDUMIG-FYYLOGMGSA-N 440.499 5.334 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3cccc(F)c3F)CC2)cc1 771115232 PTLKVEDKGBBCPL-QHCPKHFHSA-N 431.486 6.032 30 20 IKED N#C[C@@H](COC(=O)Cc1csc(-c2cccc(Br)c2)n1)Cc1cccs1 772743563 VKSVIUBOTAPSRK-ZDUSSCGKSA-N 447.379 5.102 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)/C=C/c3ccccc3C#N)C2)n1 772831325 QPQZAHKTOSJANP-DRUFCSCSSA-N 429.545 5.110 30 20 IKED C=C(C)[C@H](NC(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccc(F)c(F)c1 773477588 ZZAITUIJBQZHNG-FQEVSTJZSA-N 449.542 5.015 30 20 IKED C=CC[C@@H](NC(=O)N1CCC(COc2ccccc2C(F)(F)F)CC1)c1ccncc1 776151229 YLGRNVMQEBYXAS-HXUWFJFHSA-N 433.474 5.218 30 20 IKED C=CC[C@H](C(=O)OCc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1)c1ccccc1 778418170 KXYMSDSHUDPJFM-QHCPKHFHSA-N 434.561 5.848 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3ccccc3O[C@H](C)C#N)cc(-c3cccs3)nc21 780150188 UJMNCHGQVSCBIR-OAHLLOKOSA-N 431.521 5.284 30 20 IKED Cc1cc2c(Br)ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)c2o1 785880105 IVGFRLOUGLQIIJ-CYBMUJFWSA-N 449.663 5.257 30 20 IKED COc1cccc([C@@H](C)CCCC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1 789393936 VTQDQPALPZZJNG-KXBFYZLASA-N 449.576 5.435 30 20 IKED C=CCC[C@H](NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)c1ccccc1 793009612 LTPUJPMDFBSXPS-UPVQGACJSA-N 435.568 5.042 30 20 IKED C[C@@H](Cn1ncc2ccccc21)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 793121814 MCWMMMSUISDVNV-WFASDCNBSA-N 428.439 5.177 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H](c2ccc(Br)cc2F)C2CC2)ccc1OC 794809615 GZAUGJPJHJWMNK-HTAPYJJXSA-N 447.348 5.519 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 797548450 DRUPXMVFUUMIRG-QGZVFWFLSA-N 449.297 5.293 30 20 IKED COC(=O)Nc1cccc(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 803544363 LFRTWMRGYPVSJC-UHFFFAOYSA-N 435.867 5.112 30 20 IKED COc1cccc(NCc2nnc(SCC3(C#N)CCCC3)n2C2CCCCC2)c1 806585669 HRHVXKAVRUXAJA-UHFFFAOYSA-N 425.602 5.580 30 20 IKED CN(C)c1ccc(CN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C2CC2)cc1 810281558 PBSNIYJIHSRRMS-UHFFFAOYSA-N 427.508 5.008 30 20 IKED O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(Br)nc1 811695810 FAIYSKONYBAFBB-NTMALXAHSA-N 445.320 5.047 30 20 IKED C=C1CCN(C(=O)c2ccc(CNC(=O)OCC3c4ccccc4-c4ccccc43)o2)CC1 815439647 ZIAHVRCKGPOZBW-UHFFFAOYSA-N 442.515 5.111 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2nc3cc(F)c(F)cc3[nH]2)cs1 912823220 QBTRBSHUCJGAKT-UHFFFAOYSA-N 446.870 5.082 30 20 IKED C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3csc(-c4ccccn4)n3)c12 915986816 FHWRQCWDPUKQJL-QXMHVHEDSA-N 425.517 5.198 30 20 IKED N#Cc1cccc(COc2cccc(NC(=S)Nc3ccc(SC(F)F)cc3)c2)c1 916000114 AWMQQBYEKZFHHB-UHFFFAOYSA-N 441.528 6.261 30 20 IKED COc1cc(/C=C\C(=O)c2cccs2)ccc1OCC(=O)Nc1ccccc1Cl 916137341 VOUSDZIEPMTCNI-NTMALXAHSA-N 427.909 5.324 30 20 IKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)Nc3cccc(OCC#N)c3)cc12 916410967 KRLSEYYNHSGLEK-UHFFFAOYSA-N 436.924 5.263 30 20 IKED N#C[C@@H](C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1ccc2ccccc2n1 916849291 ODZVLBRFECLLIC-DYESRHJHSA-N 438.314 5.023 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(-c2ccccc2Cl)o1 916888038 SXNOFCGBTTXVCK-OAHLLOKOSA-N 446.862 5.876 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12 916915502 DXXKPDSEYCMUNW-IBGZPJMESA-N 445.931 5.886 30 20 IKED N#C[C@@H](C(=O)CCSc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl 916927212 GCWXIJKHICOGKO-AWEZNQCLSA-N 427.740 5.477 30 20 IKED N#C[C@@H](C(=O)[C@H]1COc2ccccc2C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997513 VHSHIPKSJUUSPX-CJNGLKHVSA-N 429.328 5.544 30 20 IKED N#C[C@@H](C(=O)/C(=C\c1ccc(F)cc1)c1cccs1)c1nc2cc(Cl)ccc2s1 917046203 HQYWYNYFUOQYTE-RNIVLKNTSA-N 438.936 6.567 30 20 IKED CCC(CC)c1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)NC(C)(C)C)cc1 917614099 SSXBXTQAQLRVDB-UHFFFAOYSA-O 440.633 5.247 30 20 IKED Cc1c(C(=O)O)oc2c1C(=O)/C(=C\c1csc(-c3ccc(C(F)(F)F)cc3)n1)CC2 920067803 CXXMHAYSMZHGIB-WQLSENKSSA-N 433.407 5.641 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cccc(OCc2ccccc2C#N)c1 920104710 XEHZDDUHYVPANP-HSZRJFAPSA-N 433.467 5.132 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)c(Cl)c3)n2)cc1 920139844 ZHFLQJZVZVCSIQ-WBMJQRKESA-N 447.343 5.769 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)n1 920327073 CPLBYJXMERZPEQ-OAHLLOKOSA-N 436.455 5.027 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2csc(-c3ccsc3)n2)cc1C 920893696 RTBYAVNKDZVPOG-UHFFFAOYSA-N 448.573 5.623 30 20 IKED C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(N2CCCC2=O)cc1 920945622 DJFMANVFMOHEHK-GOSISDBHSA-N 441.556 5.327 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCc3ccnc(C)c3)cc2)CCC1 1786740846 GQNNPHCYSUTJOJ-XMMPIXPASA-N 431.580 5.225 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccsc4)cc3)CCC2)cc1 1786944400 ZBWDONGXOFHOEX-NYYWCZLTSA-N 441.556 5.275 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(C)noc3-c3ccccc3)CCC2)cc1 1791248227 WUONCCRPOCAZIY-GOSISDBHSA-N 443.547 5.610 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)C[C@H](C)Oc3ccccc3)CCC2)cc1 1791300170 FBLUNUAMRURJQQ-SFHVURJKSA-N 442.506 5.190 30 20 IKED Cc1cccc(-c2cnccc2C(=O)NC2(c3ccc(NC(=O)[C@@H](C)S)cc3)CCC2)c1 1791574451 LLPWNNVZFURXCG-GOSISDBHSA-N 445.588 5.123 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H](C)c3ccc(OC)cc3)CCC2)cc1 1791726418 UEMFALVAFMBYLK-FQEVSTJZSA-N 432.564 5.126 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccccc3C)CCC2)cc1 1792264469 YCYPOAKXCPNDDM-UHFFFAOYSA-N 437.543 5.218 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc3cccc(Cl)c3c1)C2 1798593544 SPNAVLHBEISEAS-REPLKXPHSA-N 439.987 5.132 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C(F)(F)F)c1C 1803837545 VNVGDQMZKNEHEY-FCGDIQPGSA-N 434.502 5.034 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)/C(C)=C/c3cccs3)C2)CC1 1804811561 QGBZMMRCQDRKBZ-YDPLAMGBSA-N 426.626 5.151 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(C)cc2)[C@H]1c1cccnc1 1810501183 AFNVQEQZGJIJIK-AHWVRZQESA-N 447.623 5.021 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@]2(F)CCCC=C2F)[nH]n1 1819557305 FXJBUQKIIBDGEM-SBUREZEXSA-N 434.531 5.140 30 20 IKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCCCC(C)(C)C)n[nH]1 1822115047 VVPKUEXDRXDXQS-LJQANCHMSA-N 434.650 5.318 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCCCC2(F)F)CC1 1824642262 OAIPOGLKSYOHEV-NHCUHLMSSA-N 438.603 5.424 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3cccnc23)CC1 1828827951 ADCIBTADJVOKDT-UKILVPOCSA-N 445.607 5.237 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)cc2C)CC1 1832724901 DFUDCAZUVYDYBB-LADGPHEKSA-N 426.576 5.136 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2cccc(O)c2)cc1 10173104 RVVDJEKGBPOSKF-UHFFFAOYSA-O 432.352 5.346 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccc(OC)cc1 10406009 LRWBFNFYGOSPAL-GOSISDBHSA-N 436.581 5.184 30 20 IKED CCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10755992 DTFYIRUWNUGTRI-UHFFFAOYSA-O 448.370 6.033 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccc3c(c2)CCCC3)c1 11162711 FIIXMASAYIXVQS-UHFFFAOYSA-O 443.636 6.137 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccccc2F)cc1 11171339 HIOGTOCTPXFLDN-UHFFFAOYSA-O 433.572 5.605 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2OCC)c2ccccc2)nnc1C1CC1 15278142 GOVYVFGSRNJSNJ-OAQYLSRUSA-N 434.565 5.212 30 20 IKED C=CCn1c(SCC(=O)c2ccc(NC(=O)CC)cc2)nnc1-c1ccc(Cl)cc1 21120514 CGEUANJGLKTJPD-UHFFFAOYSA-N 440.956 5.108 30 20 IKED C=C(C)CN/C(S)=C(/C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccc(C(CC)CC)cc1 22798617 WSNYTCJTTPDROA-UHFFFAOYSA-O 440.589 5.199 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)COc3ccc(Br)cc3Cl)n2)cc1 23120652 CGLLMYQNEIEHRT-UHFFFAOYSA-N 448.729 5.115 30 20 IKED CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Sc3nc(C)nc(C)c3C#N)ccc21 25960552 MSIVDAZISCADIR-OAHLLOKOSA-N 429.549 5.212 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 29779951 NHBIVYJMVDYDQZ-ZDUSSCGKSA-N 431.439 5.030 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3ncccc3c2)c1 63835521 DKQPEGQXLSEYAC-UHFFFAOYSA-N 438.512 5.090 30 20 IKED CCCc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)[nH]c(C)c1C(C)=O 64715361 MQPMDQADBYGSJO-CQSZACIVSA-N 427.476 5.370 30 20 IKED N#Cc1cccc(/C=C2/CC(C#N)(c3ccccc3)C/C(=C\c3cccc(C#N)c3)C2=O)c1 210599244 SSKDIUMUUOATTL-ACZYEWCVSA-N 425.491 5.721 30 20 IKED COc1cccc(CNCc2cn(CCC#N)nc2-c2ccccc2)c1OC1CCCC1 237390372 AOGBYRREHXIMJI-UHFFFAOYSA-N 430.552 5.084 30 20 IKED CC(C)(C)c1ccc(-c2nnc(SCC(=O)c3cn(CCC#N)c4ccccc34)o2)cc1 302110279 VKIFYJDUFWTPCS-UHFFFAOYSA-N 444.560 5.877 30 20 IKED C[C@@H](Oc1ccc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1)c1ccccc1 409526196 ZVTCACPYBKXFJF-LJQANCHMSA-N 428.488 5.158 30 20 IKED Cc1sc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c(C#N)c1C 409981568 BGOOWPOFXJFPLW-UHFFFAOYSA-N 445.573 5.215 30 20 IKED COC(=O)c1cc([C@H](C)SCC(=O)Nc2ccccc2S[C@H](C)CC#N)oc1C 431076812 GZXPHEXCOPTSBL-HIFRSBDPSA-N 432.567 5.202 30 20 IKED N#CCC[C@@H](NC(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1)c1ccccc1 432114297 TXGOZIUCKCOYJM-GHTZIAJQSA-N 426.358 5.068 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 436350898 ASYWYCHZHMDBIJ-RTWAWAEBSA-N 435.524 5.082 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3cccc(OC4CCCC4)c3)c2)cc1 437537065 OIJUCKKVIZBDGQ-UHFFFAOYSA-N 441.487 5.249 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCC(c3ccccc3Br)CC2)cc1 439228274 GDWSKZONRKRIHE-UHFFFAOYSA-N 426.358 5.662 30 20 IKED C[C@H](NCc1ccc(C#N)cc1Cl)c1nc(-c2ccc(Br)cc2)cs1 439431577 QRBJFGJXPFKAEF-LBPRGKRZSA-N 432.774 5.948 30 20 IKED CCCc1c(NC(=O)N2CCC[C@@H]2c2cccc(OC)c2)cnn1-c1cccc(C#N)c1 439670452 YCYLQFKGYXPPJN-HSZRJFAPSA-N 429.524 5.074 30 20 IKED Cc1cc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)ccc1OC(C)C 441548023 YDMVZQCYSZUVQH-UHFFFAOYSA-N 429.476 5.023 30 20 IKED Cc1ccccc1-c1nnc(Sc2ccc(C(F)(F)F)c(C#N)n2)n1Cc1ccco1 443435568 JPUWHAHSTXHTSD-UHFFFAOYSA-N 441.438 5.332 30 20 IKED N#CCCCn1cc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c2ccccc21 443927571 MFBVICDUXDUIPV-UHFFFAOYSA-N 434.499 5.648 30 20 IKED N#CCCCn1cc(C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)c2ccccc21 443940966 JQVKIFNXRKIBJQ-UHFFFAOYSA-N 436.515 5.127 30 20 IKED CCN(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 447476943 CVRQGCDUKDGBCZ-RUZDIDTESA-N 440.478 5.308 30 20 IKED Cc1nn(C(F)F)c(C)c1CC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 460325827 ABCPSDCCACZTNF-UHFFFAOYSA-N 428.870 5.196 30 20 IKED C[C@@H](C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1cccs1)c1cccc(C#N)c1 461736402 KWPHADZBAYZPLD-GOSISDBHSA-N 426.545 5.235 30 20 IKED CO[C@@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc(Cl)c1 466359975 VUHVDPBVLJODSZ-DEOSSOPVSA-N 449.938 5.494 30 20 IKED C[C@@H]1CCN(C(=O)Nc2ncccc2OCCCC#N)[C@H]1c1ccc(C(F)(F)F)cc1 466621247 XBZGDUJJYNMUBZ-DNVCBOLYSA-N 432.446 5.398 30 20 IKED C[C@@]1(Cc2ccccc2)CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 467167509 CNUAVDROSSNSGM-NDEPHWFRSA-N 439.559 5.961 30 20 IKED CN(Cc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470537314 HZYCLBXCRUBTNE-UHFFFAOYSA-N 445.350 5.240 30 20 IKED CC(C)Oc1ccc(-c2cccc([C@H](C)N(C)C(=O)Nc3ccn(CCC#N)n3)c2)cc1 470588457 QVZGBVUZNHHHDW-IBGZPJMESA-N 431.540 5.476 30 20 IKED CCC(C)(C)N(CCC#N)C(=O)CCc1c(-c2ccc(OC)cc2OC)[nH]c2ccccc12 471165551 PCMPZYCVIUTNAY-UHFFFAOYSA-N 447.579 5.716 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC1[C@H](C)CN(Cc2ccccc2)C[C@H]1C 473820328 JECQKZWVCRRQLL-VAMGGRTRSA-N 436.625 5.216 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(O)ccc2C(F)(F)F)cc1Cl 474900203 PEGOOXZZCNOKOJ-GOSISDBHSA-N 430.813 5.972 30 20 IKED C[C@H]1[C@H](C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCN1c1ccccc1 475256991 CKFUVMQLUNSXMO-NBGIEHNGSA-N 425.532 5.185 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cc2cccc(F)c2o1 475425052 QUJKGWCQKYNNKR-HNNXBMFYSA-N 443.434 5.052 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 476119259 PZOPKFPSOUSSJO-UHFFFAOYSA-N 438.622 5.924 30 20 IKED Cc1nc(-c2ccccc2NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cs1 477708196 QCFVZCMTOXAMRI-UHFFFAOYSA-N 425.513 5.822 30 20 IKED CCN(Cc1ccc(OC)cc1OC)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 477708829 CCNDPMPMFLWSKL-UHFFFAOYSA-N 431.492 5.422 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)c3csc(-c4cccc5ccccc45)n3)CCO2)c1 478455172 ZBPJKBNLMMEWSF-HSZRJFAPSA-N 425.513 5.049 30 20 IKED N#C[C@@H](C(=O)c1ccccc1SCc1cn2ccccc2n1)c1cnc2ccccc2n1 483219744 UZEZWDPTWBJCDJ-LJQANCHMSA-N 435.512 5.060 30 20 IKED N#C[C@@H](C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1nccc2ccccc12 483225451 HWIVBEPNIMRQRT-QGZVFWFLSA-N 431.904 5.692 30 20 IKED COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)[C@H](C#N)c2nccc3ccccc23)cc1 483242468 XCFXXWMHJXCBCV-JOCHJYFZSA-N 439.446 5.125 30 20 IKED Cc1c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cccc1C(=O)Nc1ccccc1 483582626 HWTODCNXZYECER-UHFFFAOYSA-N 447.494 6.164 30 20 IKED Cc1cc(C)n(Cc2ccc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cc2)n1 488627912 NDKYFBPSZSFTFT-UHFFFAOYSA-N 436.515 5.251 30 20 IKED CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1 490138130 YHOQNAAVEVINCX-UHFFFAOYSA-N 437.883 5.375 30 20 IKED C=CCN(CCc1ccco1)C(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 498162292 KXXVLWNODPYQEK-IBGZPJMESA-N 449.526 5.101 30 20 IKED Cc1onc(CC(=O)N2C[C@H](c3ccccc3Cl)c3c([nH]c4ccccc34)[C@H]2C)c1C#N 499564562 SNCOOFOJCKNGLH-AUUYWEPGSA-N 444.922 5.267 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3sccc3Br)c2)cc1 501419946 HRSAKJYNTCQXEC-UHFFFAOYSA-N 427.323 5.408 30 20 IKED C=CCN(C(=O)[C@@H]1CCO[C@H](CC)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502568558 HBOTWRSIWFBZCL-HUUCEWRRSA-N 425.381 5.841 30 20 IKED Cc1ccccc1CN(Cc1cccnc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 502653485 SEALVVSTXBWIAH-UHFFFAOYSA-N 448.526 6.288 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CCCC34CCOCC4)cc2Cl)c1 503063367 QGNDYRLKAWESQR-JOCHJYFZSA-N 439.943 5.261 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3OCC(F)(F)F)o2)cc1 505532559 FWZYCDXVTOKVKZ-UHFFFAOYSA-N 434.345 5.063 30 20 IKED N#C[C@@H](NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1ccc(Cl)cc1 505828764 XNFRXXRSFXLLJV-OAHLLOKOSA-N 433.682 5.224 30 20 IKED COc1cc(C)c(CN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC 510662486 LRUADTQELOXXNT-UHFFFAOYSA-N 431.492 5.340 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(CCc2cccs2)CC1 510872162 KPAJMXCKSOSYLQ-UHFFFAOYSA-N 446.576 5.113 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1Cl 512195668 LRSYRCHCHNLCFJ-QHCPKHFHSA-N 448.925 5.821 30 20 IKED CCOc1cc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1OC 513103383 UPGPEDXLSGRBHB-UHFFFAOYSA-N 447.510 5.017 30 20 IKED N#C[C@@H](C(=O)c1ccccc1SCc1cn2ccccc2n1)c1nc2ccccc2s1 513696179 UDLSMQRQCHYZRB-SFHVURJKSA-N 440.553 5.726 30 20 IKED CCOc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1OC 513873829 DKISXDOJZGLFNT-UHFFFAOYSA-N 433.483 5.339 30 20 IKED C[C@@H](Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cn1)c1ccccc1 515542506 XZOAAEVTOXTNBJ-DYESRHJHSA-N 425.513 5.835 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Br)cc1C(F)(F)F 515795147 VGNZNVWMYLYLJW-UHFFFAOYSA-N 443.263 5.697 30 20 IKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 515893132 QORKLZYZVWBTJZ-ISKFKSNPSA-N 445.950 5.447 30 20 IKED CCCC(=O)Nc1cccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c1C 518013619 NJUCWKOSWATJHF-MRXNPFEDSA-N 438.597 5.375 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1 518016324 KQPFWHSHIQNWEW-DNQXCXABSA-N 434.442 5.279 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1cc2c(cc1Cl)OCCO2 518127483 APALENXSZURBBI-CYBMUJFWSA-N 434.970 5.094 30 20 IKED Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2ccccc2SCCC#N)c2ccccc2)cc1 518648639 XWAGUWODYUSZGN-QHCPKHFHSA-N 443.572 5.501 30 20 IKED Cc1ccc(OCCCC(=O)Nc2ccc(CNc3ccc(Cl)c(C#N)n3)cc2)cc1 518814650 CDETWRNZVWPMJN-UHFFFAOYSA-N 434.927 5.325 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 520924045 GEVOSKLRDAKWBS-CYBMUJFWSA-N 449.523 6.281 30 20 IKED N#C[C@H](NC(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1ccc(Cl)c(Cl)c1 521886225 OVEXMQKJDNYJSJ-FQEVSTJZSA-N 430.335 5.507 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)c1 522575306 VPQVURDFGCNJJK-UHFFFAOYSA-N 426.259 5.009 30 20 IKED COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(C)c1C 522694000 SXEFOFGLEINHME-UHFFFAOYSA-N 444.500 5.137 30 20 IKED Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)c12 524390014 LXCQFKAUXDIVCK-UHFFFAOYSA-N 426.476 5.358 30 20 IKED COc1cc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc(OC)c1 524441506 MCLGQWSZNVZFRT-UHFFFAOYSA-N 445.519 5.127 30 20 IKED CN1CCC[C@@H](CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@@H]1c1cccs1 524645301 MNKDSKCOHVXBQS-MHECFPHRSA-N 449.551 5.364 30 20 IKED COc1ccc(Br)cc1SCC(=O)N(CCC#N)c1cccc(C)c1C 525003673 OVOSIHSYWHUBGB-UHFFFAOYSA-N 433.371 5.114 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)nnc1-c1ccccc1 525558548 VCOAFNHIIOFLOH-HNNXBMFYSA-N 437.956 5.612 30 20 IKED N#Cc1ccccc1COc1cccc(CNc2cccc(C(=O)NCc3ccccn3)c2)c1 532726783 HOMQPURWGPASCX-UHFFFAOYSA-N 448.526 5.074 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 533984181 SRRWOCVGVPWUGU-UHFFFAOYSA-N 438.984 5.498 30 20 IKED C=CCSc1ccccc1NC(=O)CN[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 537028789 OQNDIXXVFLBKPY-LJQANCHMSA-N 445.588 5.506 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1)C1CC1 537568583 XZFVRZWTRUVASY-UHFFFAOYSA-N 425.488 5.114 30 20 IKED N#Cc1ccc(-c2nnc(CN[C@@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)o2)cc1 539422677 BIOFJGWNBQUHRF-INIZCTEOSA-N 426.320 5.020 30 20 IKED Cc1cc(Sc2ncccn2)ccc1NC(=O)c1ccccc1Oc1ccccc1C#N 539754615 FBDKJUHXGNZFQW-UHFFFAOYSA-N 438.512 5.853 30 20 IKED N#CCCn1cc(/C=C\c2nc(Cc3coc(-c4cccs4)n3)no2)c2ccccc21 545595200 FXUMMVUUQJLYDZ-HJWRWDBZSA-N 427.489 5.416 30 20 IKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1cccc(F)c1F 547663609 QKCOHFRDHRAGMM-UHFFFAOYSA-N 429.263 5.099 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccc(F)cc4F)C3)cc2)c1 548323948 YQPGGNDDBAKMMR-QHCPKHFHSA-N 435.430 5.234 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 553664995 GEKYSCQNOSMBDL-HNNXBMFYSA-N 433.499 6.296 30 20 IKED N#C[C@@H](C(=O)c1cc(F)c(Br)c(Cl)c1)c1nc(-c2ccncc2)cs1 560544284 OVYMWPXQBPGFEU-NSHDSACASA-N 436.693 5.250 30 20 IKED C[C@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 561442733 COHAWVAPXIJYBF-HTAPYJJXSA-N 446.469 5.115 30 20 IKED CNc1ccc(C#N)cc1NC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 562858544 VYPJPSKBXQZUDB-ZDUSSCGKSA-N 426.929 5.169 30 20 IKED N#Cc1ccc(C[C@H](C#N)c2nc(-c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)no2)cc1 568561043 DLCSFGWYCIIHKW-LJQANCHMSA-N 437.415 5.159 30 20 IKED CN(C(=O)c1cccc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1)c1ccccc1 570671431 NTTHQDIRKAVCHR-UHFFFAOYSA-N 448.482 5.274 30 20 IKED N#C[C@H](C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1nc(-c2ccccc2)cs1 580563093 YCDFHJYPAYMTHJ-OAQYLSRUSA-N 447.523 5.548 30 20 IKED Cc1cc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc(N2CCCC2)n1 584023546 SIVSTGHXRUXSHE-UHFFFAOYSA-N 445.498 5.115 30 20 IKED CCSc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1 590207976 ITNCOQHWRHYOKS-CQSZACIVSA-N 434.373 6.114 30 20 IKED CCOc1cccc2c1OCC(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)=C2 604003078 AJNGRSZLXOUGAX-UHFFFAOYSA-N 440.499 5.145 30 20 IKED C[C@@H](Nc1cccc(COCc2ccco2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 604046324 YQKKQNVSOBDVAG-QGZVFWFLSA-N 449.576 5.638 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604257981 SAJLCCWKYLTRBN-GASCZTMLSA-N 426.360 5.428 30 20 IKED COc1ccc(Br)cc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 608553088 QCDVGHMTMYZBHC-GFCCVEGCSA-N 449.276 5.349 30 20 IKED Cc1nc2cc(F)ccc2cc1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 609173798 XQEDWUOGZOQNIN-RUZDIDTESA-N 425.463 5.256 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H](c2ccc(F)cc2)C2CCC2)cc1 609207334 QLPNRZFLRMVOET-SANMLTNESA-N 443.522 6.134 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 609322986 WRDGPHSJWQTAEU-KRWDZBQOSA-N 448.592 6.082 30 20 IKED Cc1ccccc1CCNC(=O)[C@@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 609387197 SGTVNOUTWIBSOU-MRXNPFEDSA-N 435.515 5.179 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)NCc2ccnc(Oc3ccccc3)c2)c1 609627639 BFRMHRPBGQXCJR-UHFFFAOYSA-N 435.483 5.255 30 20 IKED CC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 609723637 PBYIEIAUUNZCQY-UHFFFAOYSA-N 440.286 5.868 30 20 IKED Cc1cc(OCc2ccccc2)ccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 609755305 HTPXWVDATNXHQC-UHFFFAOYSA-N 438.483 5.870 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CC[C@@H](Cc4ccc(F)cc4)C3)c2)c1 609927674 BNQRUFHHCGKTPV-FQEVSTJZSA-N 442.494 5.046 30 20 IKED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ccccc1COCc1ccccc1 609984839 AJUUXNHSHJUADF-UHFFFAOYSA-N 446.450 5.095 30 20 IKED N#Cc1ccccc1CSCCNC(=O)Nc1cc(F)ccc1SCC(F)F 610019521 FFLYUXHUBBGOGD-UHFFFAOYSA-N 425.501 5.109 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1)c1cccc(C#N)c1 610635234 RTIIMQDURLETRI-QZTJIDSGSA-N 429.545 5.227 30 20 IKED N#C[C@@H](NC(=O)c1sc(-c2ccccc2)nc1C(F)F)c1cccc(Br)c1 611184845 OZMSAEVPCDNAOP-CQSZACIVSA-N 448.292 5.505 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(c4cccnc4)CC3)c2)cc1 611261028 PGBSBKSRXNTATI-UHFFFAOYSA-N 426.520 5.138 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)N1CCC[C@](C)(C#N)C1 612376056 PYLFHWXIYAXEJZ-JLTOFOAXSA-N 447.402 5.277 30 20 IKED N#CC(CCN1CCC(CC(=O)NC2CCCC2)CC1)(c1ccccc1)c1ccccc1 618276737 MRNRPSVVZQITDD-UHFFFAOYSA-N 429.608 5.047 30 20 IKED O=C(Nc1cccc(C#Cc2ccccc2)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618540575 TUANUYJDFLYLIC-QZTJIDSGSA-N 440.387 5.681 30 20 IKED C=CCN(C(=O)CCc1ccc(Cl)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 619130832 GBEBFAOAWDAFBN-UHFFFAOYSA-N 427.913 5.524 30 20 IKED N#C[C@H](C(=O)c1coc(Br)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281379 DLEBPBBHWCVWBF-LLVKDONJSA-N 442.121 5.962 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1nc2cc(F)ccc2s1 671764214 RSELBCPJOLHTNH-OAHLLOKOSA-N 430.386 5.130 30 20 IKED COc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)n[nH]2)cc1 675908546 RMANXJOTZIRUEH-AWEZNQCLSA-N 442.422 5.204 30 20 IKED O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 681478108 UIUXFKPJUMAVHS-DTORHVGOSA-N 442.709 5.953 30 20 IKED N#C[C@H](C(=O)C1CCN(c2nc3ccccc3s2)CC1)c1nc(-c2ccccc2)cs1 727627438 GBWFTSKWDISLST-GOSISDBHSA-N 444.585 5.513 30 20 IKED COc1cccc(Cc2cnc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)s2)c1 727986040 BUDFFDVOMGIMJV-UHFFFAOYSA-N 445.500 5.038 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H](C)Sc2ccc(NC(C)=O)cc2)c1 728181879 HTYDMYRVAXWUBL-KRWDZBQOSA-N 434.586 5.402 30 20 IKED CCC(CC)CN(CCC#N)Cn1nc(-c2ccncc2)n(-c2ccc(C)cc2)c1=S 729472118 VYDBCHLSAXXWQT-UHFFFAOYSA-N 434.613 5.383 30 20 IKED Cc1cc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc(C)c1OCc1cccnc1 731195752 NRMYQBNHJVQVMN-HXUWFJFHSA-N 440.330 5.579 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H]3c3ccc(F)c(F)c3)c2)cc1 733033866 MDSMLJPAKVWJAY-VWLOTQADSA-N 447.485 5.979 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)ccc1OC 733644907 GVPIMFJAOPXWDL-URXFXBBRSA-N 439.531 5.246 30 20 IKED CC[C@H](C#N)Oc1cccc(CNCc2ccc(-c3cccc(Br)c3)o2)c1 733800363 NTUCEZOMIMJHKI-LJQANCHMSA-N 425.326 5.680 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(N3CCc4sccc4C3)cc2)c1 733844557 OAKNPNWLVJVLPU-JOCHJYFZSA-N 446.576 5.313 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)cc1OC 733876212 ASUVDGWEHOTKFP-NTMALXAHSA-N 440.609 5.433 30 20 IKED C[C@@]1(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CCCN1C(=O)c1ccccc1 735205241 BJAAFYVJCKWZET-CYFREDJKSA-N 449.963 5.335 30 20 IKED C[C@@H](C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccc(Br)s1 744034567 BUPCGSCANURUCA-SCZZXKLOSA-N 425.760 5.754 30 20 IKED C[C@@]12CC[C@H]3[C@H](CC=C4C[C@@H](OC(=O)c5ccccc5OCC#N)CC[C@@]43C)[C@@H]1CCC2=O 744334635 UUVCSJKTZFOVHR-JMKINZLOSA-N 447.575 5.646 30 20 IKED C[C@@H](OC(=O)c1nc(-c2ccccc2)oc1-c1ccccc1)C(=O)Nc1ccccc1C#N 744995092 VVNRGHHGARNNKD-QGZVFWFLSA-N 437.455 5.064 30 20 IKED CCS(=O)(=O)c1ccccc1Oc1ccc(N=Cc2cc3ccccc3nc2O)cc1 745977645 ZHWAHBOOCAPBAJ-UHFFFAOYSA-N 432.501 5.277 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2ccccc2Cl)n1)c1nc(-c2ccc(Cl)cc2)cs1 748003706 HNZCXSFXGWSUJO-OAHLLOKOSA-N 439.327 5.793 30 20 IKED O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(N2CCOC2=O)cc1 748584796 VRSVLYPKUXQKIW-RMKNXTFCSA-N 438.823 5.361 30 20 IKED COc1ccccc1C1(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1 749344538 WEJZUHZPRBFMMB-HNNXBMFYSA-N 443.355 6.034 30 20 IKED COc1cc(C2(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CCC2)ccc1C 750399138 ZCPMDDMQVFTXFI-MRXNPFEDSA-N 444.478 5.930 30 20 IKED C[C@@H]1C[C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCN1Cc1ccccc1 750988074 AXRJQQZVJRXNDL-ZFWHIUCFSA-N 438.575 5.517 30 20 IKED N#Cc1cccc(COc2ccc(NCc3nnc(-c4ccc(Cl)cc4)o3)cc2F)c1 760454150 FLQPZBBKPFVMEG-UHFFFAOYSA-N 434.858 5.592 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)Nc3ccc(Oc4ccc(Cl)cn4)cc3)CCO2)c1 761870963 GOIPKBUXFJHSJR-NRFANRHFSA-N 434.883 5.004 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1ccccc1C 768412023 QSKFEZOBXTWIMY-FQEVSTJZSA-N 445.592 5.175 30 20 IKED O=C(/C=C/c1cc(F)cc(C(F)(F)F)c1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 772807652 ROKDDZCGCZAVAR-LZCJLJQNSA-N 440.336 5.077 30 20 IKED Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 778288991 LWTXKDWUOJRPEV-HNNXBMFYSA-N 435.455 5.392 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2coc(-c3ccc(Br)cc3F)n2)cc1 778663933 CUGHJPRYJMKQOB-UHFFFAOYSA-N 428.261 5.112 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1oc2ccccc2c1CSc1cccs1 780178462 TVGBLSCJUIDJIK-HNNXBMFYSA-N 434.542 6.330 30 20 IKED CCOc1ccc(-n2c(-c3ccccc3)nn(CN3CCC(CC#N)CC3)c2=S)cc1 781571719 IPFHNUAWQFOWKR-UHFFFAOYSA-N 433.581 5.052 30 20 IKED Cn1c(CC(=NOCc2ccn(-c3ccccc3F)n2)c2ccccc2)nc2ccccc21 783558427 NYUBBCUIYWHLNE-UHFFFAOYSA-N 439.494 5.062 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(C(F)(F)F)c(F)c1 784491583 WNIZACBQGCCTLQ-LBPRGKRZSA-N 432.345 5.120 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)NCc3cccc(Cl)c3)s2)c(C)c1 786533580 FQBZIYYQGFCRLZ-IBGZPJMESA-N 437.952 5.028 30 20 IKED O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(Cl)cc1-c1cccc2ccccc12 790088846 FIGKDCTTYAUPLP-OCOZRVBESA-N 445.906 5.015 30 20 IKED COCCC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 791751076 MWOVSYDOUAJTJW-UIOOFZCWSA-N 427.548 5.501 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1nccc2ccccc12 792104910 YZFTYFSAXLJVHQ-IBGZPJMESA-N 437.446 5.796 30 20 IKED CCN(CC)[C@@H](C(=O)[C@@H](C#N)c1nccc2ccccc12)c1cccc(C(F)(F)F)c1 792106638 SIBSWWVZEMCJAS-RBBKRZOGSA-N 425.454 5.513 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C/C(=O)c1ccc(C(=O)N(C)C)cc1 792926270 WIFRPCOBHRVGFB-OUKQBFOZSA-N 442.346 5.145 30 20 IKED C=CCN(CCC#N)Cn1nc(-c2ccccc2OC)n(-c2ccc(Cl)cc2)c1=S 793559545 BKAQKWGNVKQLAM-UHFFFAOYSA-N 439.972 5.091 30 20 IKED COc1cccc(NC(=O)[C@H](OC(=O)C[C@@H](CC#N)c2ccccc2)c2ccccc2)c1 795987909 FALBOMVLIZYWHF-PXDATVDWSA-N 428.488 5.006 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 797642257 ATQLGYJXORYDLG-SCLBCKFNSA-N 432.293 5.248 30 20 IKED Cc1sc(Br)c(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)c1C 799601998 CUQQKAQLIVLCFX-HNNXBMFYSA-N 427.323 5.242 30 20 IKED CC(C)(C)OC(=O)NC1[C@H]2CCC[C@H]1CC(C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)C2 802833867 YXDZDZMKOQHZKC-ZXFMADEOSA-N 445.629 5.336 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2ccc3nc(C(F)F)sc3c2)cc1C#N 806700858 WMGLUAUGBCHIHF-UHFFFAOYSA-N 431.424 5.318 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(Cc3ccc(F)cc3)CCOCC2)cc1 814305691 MEOFWYBSBBTXOF-VWLOTQADSA-N 428.507 5.459 30 20 IKED C=CCOc1ccc(/C=C\C(=O)O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)cc1OC 853716432 URYFMBZZTFEADU-PXAMLJHWSA-N 443.927 5.114 30 20 IKED N#C[C@H](C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)c1ccccc1 864240321 SIQFMGDYIWMAJE-NRFANRHFSA-N 428.492 5.042 30 20 IKED C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915180248 MQAIBIMYVUNKQT-SBUREZEXSA-N 447.535 5.180 30 20 IKED COc1cccc(-c2nnc(SCCCOc3ccc(C#N)cc3)n2Cc2ccco2)c1 915792831 WVHMWZFDXKXQIG-UHFFFAOYSA-N 446.532 5.028 30 20 IKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(C2SCCS2)cc1 916943033 SEUCXQNKRKVLFB-INIZCTEOSA-N 437.373 5.433 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 916944798 NELALFBJDBWNHD-INIZCTEOSA-N 448.306 5.526 30 20 IKED COc1ccc(S[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920807193 ZORXCVNKDYSYRF-IUODEOHRSA-N 430.501 5.454 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CNc3ccc(F)cc3)cc2)CCC1 1787983878 YPYXLVCGFSIOLI-UHFFFAOYSA-N 435.543 5.140 30 20 IKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4cccc(F)c4s3)cc2)CCC1 1788983027 ISEIHBDOJLTKKY-ZDUSSCGKSA-N 428.554 5.106 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccc4nccn34)cc2)CCC1 1790913659 KGAXIBOMYUZSSR-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)C3(c4cccc(F)c4)CC3)C2)CC1 1806612819 HKOOCZIEGRWSNJ-UHFFFAOYSA-N 440.603 5.081 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3[nH]c(C)cc3c2)[nH]n1 1819308821 DQLOMOQZGRKGSV-NFBKMPQASA-N 445.567 5.274 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3[nH]c(C)cc3c2)n[nH]1 1821584508 LEVVJIXFHCVNAZ-OFNKIYASSA-N 445.567 5.274 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)[nH]n1 1821917254 QQNBWAZUCPPNJJ-VBKZILBWSA-N 439.947 5.063 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1825424428 OCTPZYJNEVFKQH-RLWLMLJZSA-N 447.623 5.436 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc3ccccc23)CC1 1827997562 UBAKQBGGTORCMW-RUZDIDTESA-N 447.623 5.461 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1828829563 JLAIPDMBGPBGFZ-BYXVTNLJSA-N 447.623 5.315 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1831860652 VRQCJVFESQOTJK-HSZRJFAPSA-N 445.563 5.237 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@]3(C)CC=CCC3)CC2)c1 1832410145 BCWVHCQIBZNHII-LQCMOVKCSA-N 447.623 5.293 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(C)c(F)c2)cc1 22732195 KBOQUNWABAVTNW-UHFFFAOYSA-O 427.590 5.795 30 20 IKED CC(=O)Nc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1Cl 63336338 RSJBDXZIVUNKED-UHFFFAOYSA-N 435.936 5.715 30 20 IKED N#Cc1cc(NC(=O)c2ccccc2C(=O)c2cccs2)ccc1OCC(F)(F)F 108601656 PEDYERKZCOQEJX-UHFFFAOYSA-N 430.407 5.044 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2SC)nnc1-c1ccccc1F 195569474 CFPRABZMMUGPIP-AWEZNQCLSA-N 428.558 5.111 30 20 IKED N#C[C@H](C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)c1nc(-c2ccncc2)cs1 195662581 PCZDXRJUOJWRRF-QPPBQGQZSA-N 449.539 5.389 30 20 IKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cccc(F)c1 195708786 BNJWXRHQVDEREO-QHCPKHFHSA-N 441.466 5.134 30 20 IKED C[C@H](C#N)Oc1ccc(CNC[C@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 237596631 MDAPJVUKVAMMLQ-HCLVMJGWSA-N 431.502 5.169 30 20 IKED C=CCOc1c(Br)cc(CN[C@H]2CCOc3c(Cl)cccc32)cc1OC 302962955 FBAMIHRBHCTBOF-KRWDZBQOSA-N 438.749 5.289 30 20 IKED C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 303671717 JWGXOTIVGRZERC-JTQLQIEISA-N 436.318 5.163 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O 429757131 JLEHKVGXDOHQBY-CUHUQNRHSA-N 441.572 5.115 30 20 IKED COc1ccccc1Oc1ccc(NC(=O)CCCC(=O)Nc2ccccc2C#N)cc1 432589909 XIOUGEBQHOJQGM-UHFFFAOYSA-N 429.476 5.107 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)[C@@H]1OCCc2sccc21 432866980 NMDPWOQOEDJNAY-OSPHWJPCSA-N 447.560 5.331 30 20 IKED N#CCCN(Cc1ccco1)C(=O)C(=O)Nc1ccc(Cl)cc1-c1ccccc1Cl 435007550 FRYBWKLOUSJFHO-UHFFFAOYSA-N 442.302 5.134 30 20 IKED Cc1cc(C)c2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c2c1 437393518 YHIXKLCRVQXDRR-SFHVURJKSA-N 430.458 5.964 30 20 IKED CC(=O)N[C@@H](CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccc(C)cc1 437457968 GKJWBWUIPWSFIM-QFIPXVFZSA-N 431.467 5.004 30 20 IKED CC[C@H](C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)c1cccc(C(F)(F)F)c1 437675295 QERZAXRIUWANDA-FQEVSTJZSA-N 439.437 6.205 30 20 IKED C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 437813317 BVRZRMYDAOJRST-CTUHWIOQSA-N 430.552 5.005 30 20 IKED COc1cc(C(=O)N[C@H](CCC#N)c2ccccc2)cc(OC)c1OCc1ccccc1 439665809 YAZRCCGEPCQGDU-JOCHJYFZSA-N 430.504 5.058 30 20 IKED C=CCC[C@@H](NC(=O)c1sc(-c2ncccn2)nc1C)c1ccc(C(F)(F)F)cc1 441569485 RRPHWYXPRBALRA-MRXNPFEDSA-N 432.471 5.365 30 20 IKED Cn1ccc2ccc(NC(=O)C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cc21 443821565 BSQBKYLZUZETFN-NRFANRHFSA-N 442.906 5.064 30 20 IKED F[C@H](Cc1ccccc1)c1nc(-c2ccc(C(F)(F)F)nc2OCC(F)(F)F)no1 445812034 VIOAXSSBILNWIK-GFCCVEGCSA-N 435.299 5.345 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 448188819 CTHSTVADBBDTFT-UHFFFAOYSA-N 444.984 5.163 30 20 IKED Cc1noc(Cl)c1CC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 464282539 LMPFHBMSZNIIQN-UHFFFAOYSA-N 435.789 5.500 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H]1CCN(c2ccccc2F)C1 464586102 HLYNTHCKBRWLOU-GOSISDBHSA-N 431.536 5.105 30 20 IKED C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1nc(-c2ccc(Cl)cc2)no1 468793207 BULAGOGGYXTFNO-HNNXBMFYSA-N 435.915 5.146 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)CCCn3ccc4cc(Cl)ccc43)ccc21 469968881 GSWCPDSVNWWKSC-UHFFFAOYSA-N 448.954 5.297 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2cc(-c3nc(C)co3)ccc2C)cc1 470784059 GDAMSROZMIQPNW-UHFFFAOYSA-N 430.508 5.417 30 20 IKED COCCC[C@H](Cc1ccccc1)NC(=O)c1ccccc1Sc1ccccc1C#N 471301224 ONAWCKYVHZZEIO-JOCHJYFZSA-N 430.573 5.477 30 20 IKED COC(=O)c1nc([C@H]2CCCN2Cc2cccc(OCc3ccccc3C#N)c2)sc1C 475341290 FGUFUKDRXAOEMK-JOCHJYFZSA-N 447.560 5.026 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 479901809 JVGDZZOWBGTGNU-UHFFFAOYSA-N 449.001 5.068 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 480735438 FSMBQRIZZXSEJF-UHFFFAOYSA-N 444.944 5.461 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccccn1 481371063 JTHWKVFDXWAUPK-OAQYLSRUSA-N 445.523 5.137 30 20 IKED CC(=O)Nc1ccc(NC(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)c(C(F)(F)F)c1 484277732 CWVNGBXVLXKUMV-OAHLLOKOSA-N 437.315 5.228 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N[C@H](CCCC#N)c3ccccc3)ccc21 487178374 UQDLRRFNVNUDRQ-GOSISDBHSA-N 428.458 5.801 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(-c4nc5ccccc5s4)o3)s2)cc1 487290731 OVCCKWWGUSVNRU-UHFFFAOYSA-N 442.525 5.728 30 20 IKED N#C[C@H](C(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1nc2cc(Cl)ccc2s1 502764248 VMHDFMOHYXRBGN-CQSZACIVSA-N 446.841 5.644 30 20 IKED N#Cc1cc(F)c(C(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)c(F)c1 505406482 WISSBOMFAPFSNY-UHFFFAOYSA-N 436.805 5.478 30 20 IKED CC[C@@H](C)n1c(SCC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)nnc1-c1ccccc1 505837990 KRRUWLVEMIXYAN-BEFAXECRSA-N 439.972 5.043 30 20 IKED CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)N1CCC(C)(C#N)CC1 506717606 IWPRZVFOAYTUIO-UHFFFAOYSA-N 425.554 5.366 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@@H](COc4ccccc4)C3)cc2F)c1 506912618 CAWXRCLXDHKTNK-OAQYLSRUSA-N 445.494 5.209 30 20 IKED N#CCCCCNC(=O)NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 508404200 TUJPPMIUJXEADR-GOSISDBHSA-N 429.351 5.600 30 20 IKED C=CCn1c(-c2cc(-c3ccccc3)nc3ccccc23)nnc1N1CCC(C)(C#N)CC1 508716429 OUEOFJWFIDFSCB-UHFFFAOYSA-N 434.547 5.476 30 20 IKED CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 509671771 GRVHBKSTNGYBJK-QHCPKHFHSA-N 447.922 5.397 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1Cl 510040196 ACSXJHVBPVGXBF-UPVQGACJSA-N 449.913 5.740 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)s3)on2)cc1 511763245 RFKWLIIGNFJMRR-UHFFFAOYSA-N 427.913 5.123 30 20 IKED Cc1ccccc1OCCCN(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 515796752 NHNDIBLPDIHJRE-UHFFFAOYSA-N 442.519 5.052 30 20 IKED C[C@@H](CCc1ccc(Br)cc1)NC(=O)CCCCOc1cccc(C#N)c1 517652880 GQNMTYDHDRVPDO-KRWDZBQOSA-N 429.358 5.007 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 518259129 HAYXSIAWOJNGBR-BTYIYWSLSA-N 441.984 5.330 30 20 IKED COc1cc(CSCC(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1SC 518818544 FVWACHXULIJMOF-HNNXBMFYSA-N 432.636 5.541 30 20 IKED C[C@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 519513790 XTGIBPANVUPCFL-AWEZNQCLSA-N 436.855 5.351 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(COCC(F)(F)F)cc1 520159455 IZODFQNHDCJSSJ-UHFFFAOYSA-N 433.474 5.005 30 20 IKED C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 521786267 UHFFFQYPNREIND-LJQANCHMSA-N 438.531 5.643 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC2CCN(c3ccccc3)CC2)cc1 523901968 AVTVHEIXQCBWBG-UHFFFAOYSA-N 442.538 5.078 30 20 IKED C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1cc(F)c(Cl)cc1Cl 523955530 WACWWMDJOBHKSJ-GFCCVEGCSA-N 433.266 5.667 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(Cl)c2cccnc12 524387457 FXZXIGFGSHALJP-UHFFFAOYSA-N 427.891 5.900 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F 524565955 KSWWBUJZPXJZHZ-UZLBHIALSA-N 447.526 6.716 30 20 IKED C=CCOc1cccc(NC(=O)C(=O)N[C@H](C)c2ccccc2-c2ccc(Cl)cc2)c1 524807400 LRFLPJYBGXBRCS-QGZVFWFLSA-N 434.923 5.388 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ncoc2-c2ccc(C)cc2)cc1 525658400 XIFOQBLHRQBIFZ-UHFFFAOYSA-N 425.444 5.575 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@](C)(c2ccccc2)C1 531596738 ZGMFLSJCIOYYMF-SANMLTNESA-N 427.504 5.439 30 20 IKED Cc1ccc2c(C3=CCN(CC(=O)Nc4ccccc4SC[C@@H](C)C#N)CC3)c[nH]c2c1 533487988 ZSTWIRUZKNHJSJ-IBGZPJMESA-N 444.604 5.456 30 20 IKED C[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccc([S@@](C)=O)cc1 535195286 HNCPQSZGADPUFF-DHMKHTPVSA-N 438.936 5.232 30 20 IKED CN1CCC(N(Cc2ccco2)C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 535588602 VVHZCOWDRAKXBF-UHFFFAOYSA-N 449.938 5.334 30 20 IKED C=CCN(C(=O)c1cccc([C@H]2CCOC2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 536427735 ZFMMSRRKLQYPJE-IBGZPJMESA-N 435.505 5.055 30 20 IKED C=CCC[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C(F)(F)F)cc1 537947158 KUVYLQYWVUBTFH-HRAATJIYSA-N 440.531 5.314 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 541357494 NHAJLLVMHILVGE-UHFFFAOYSA-N 439.471 5.158 30 20 IKED CCN(CC)CCCC1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)CC1 542096456 VTDHSDACKFVQRV-UHFFFAOYSA-N 449.643 5.055 30 20 IKED Cc1ccc(Oc2ncccc2-c2noc(Cc3ccc(C#N)cc3)n2)c(Br)c1 545130569 AOGDUIOTUGYOFN-UHFFFAOYSA-N 447.292 5.457 30 20 IKED C=C(C)Cn1c(SCc2nc(-c3ccc(CSC)cc3)no2)nnc1-c1ccco1 547056865 NZYXOLHPBAQLOG-UHFFFAOYSA-N 439.566 5.320 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 549261126 MPDBURTZRTWOSJ-DYESRHJHSA-N 431.565 5.097 30 20 IKED N#Cc1ccc(N2CC[C@@H](C(=O)Nc3ccc(Oc4ccncc4)c(Cl)c3)C2)c(F)c1 552894855 PWYRBOOEXOGESH-MRXNPFEDSA-N 436.874 5.003 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CCC[C@H]2C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 555904194 AZALUVAWBXRELB-DHIUTWEWSA-N 442.563 5.282 30 20 IKED CCn1c(-c2ccc(COc3ccc(Cl)c(C)c3)cc2)nnc1N1CCC(C#N)CC1 558883535 PFZRMSWEMODUEE-UHFFFAOYSA-N 435.959 5.246 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)CC2)c(F)c1 560423841 ATLMWWVUPBPCEU-QHCPKHFHSA-N 437.515 5.020 30 20 IKED Cc1c(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cccc1-c1ncco1 560988657 CZFGDWBASZNIAL-UHFFFAOYSA-N 434.927 5.420 30 20 IKED COc1cccc(CCC(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1F 563965684 DCWCJVVUZAXODO-HNNXBMFYSA-N 437.355 5.596 30 20 IKED C[C@@H](Cc1cncc2ccccc12)C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 564144004 ODXMZMWOMBNIJM-DCFHFQCYSA-N 435.527 5.373 30 20 IKED Cc1ccc(-c2nc(CC(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)cs2)cc1 564516569 FSDMKUGCBRPNQZ-UHFFFAOYSA-N 426.501 5.359 30 20 IKED Cc1ccccc1[C@H](C)c1noc(C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 565275348 KXRKNOZWKPZPCK-INIZCTEOSA-N 429.480 5.034 30 20 IKED C=CCC[C@H](NC(=O)N1[C@H]2CC[C@H]1CC(c1ccnn1C)C2)c1ccc(C(F)(F)F)cc1 567181910 OYJDHMRQYXCDPT-ACRUOGEOSA-N 446.517 5.566 30 20 IKED N#C[C@@H](C(=O)c1cnc(OCC2CC2)cn1)c1nc(-c2ccc(Cl)cc2Cl)cs1 568423044 AKYDRBMOFLBANB-AWEZNQCLSA-N 445.331 5.186 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@H](OCc4ccccc4F)C3)cc2)ccn1 578941458 FVXNWXHPUHEMFF-QHCPKHFHSA-N 446.482 5.098 30 20 IKED CC(C)(C(=O)NCCc1cccc(C#N)c1)c1csc(-c2c(F)cccc2Cl)n1 579298955 ASWWPCZGXSOZPQ-UHFFFAOYSA-N 427.932 5.111 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC1(c2cccc(C#N)c2)CC1 582375407 NWGDNKJLCULODS-HNNXBMFYSA-N 438.394 6.093 30 20 IKED N#C[C@@H](C(=O)c1cccc(Oc2cnccn2)c1)c1nc(-c2ccc(Cl)cc2)cs1 584199297 ZVGDTYLKPDSBAT-SFHVURJKSA-N 432.892 5.536 30 20 IKED CN(Cc1cccc(Cl)c1Cl)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 584321113 FZYYEMKJYVCZEO-UHFFFAOYSA-N 427.291 5.716 30 20 IKED O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 592911120 QXCFKOYSJZRCNU-HTQZYQBOSA-N 449.273 5.441 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 600880650 RQPHCIYEYOACRN-JOCHJYFZSA-N 431.561 5.010 30 20 IKED O=C(NCc1ccc(Oc2cccc(F)c2)nc1)Nc1cccc(C#Cc2ccccn2)c1 601187373 MIOYSBWLOVROEB-UHFFFAOYSA-N 438.462 5.130 30 20 IKED Cc1sc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c(C#N)c1C 603444915 DZPMUMWPOBHSOM-FQEVSTJZSA-N 437.952 5.390 30 20 IKED CC[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccccc1OC(F)F 603877435 FQCNUPUEFDUDDF-GOSISDBHSA-N 426.419 5.213 30 20 IKED Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)c1ccc(C#Cc2ccccc2)cc1 605641965 CHPNKKSMSUYGCX-UHFFFAOYSA-N 439.515 5.139 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccnn3[C@@H]3CCCc4ccccc43)o2)cc1 609058538 AQECPLXHZJBDLE-HSZRJFAPSA-N 438.487 5.105 30 20 IKED O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(F)cc1C(F)(F)F 609065364 XBNROVYQGFTLRA-UHFFFAOYSA-N 442.312 5.502 30 20 IKED CCN(C(=O)C[C@@H](NC(=O)c1ccc(C)cc1)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 609228293 NBSHTGREARDDEF-HFZDXXHNSA-N 439.559 5.338 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1 609306542 POCUEZHXMOPSGQ-SFHVURJKSA-N 441.462 5.651 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(-c2nc3ccccc3s2)o1 609398276 QVDCGXXUCNCODT-OAHLLOKOSA-N 448.573 6.130 30 20 IKED N#Cc1ccccc1COc1cccc(CNC2CCN(Cc3ccc(F)c(F)c3)CC2)c1 609433304 UAYWPHMBBIOGAP-UHFFFAOYSA-N 447.529 5.170 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 609436813 GXJBNFBAJFANRS-QVKFZJNVSA-N 442.009 6.707 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CC1 610156897 FJOVHMHNKOYJQD-TZJYRCSTSA-N 444.453 5.067 30 20 IKED CSCc1cc(F)ccc1CNC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 610666461 DWKBAPOKKBOUSI-NHAGDIPZSA-N 446.432 5.397 30 20 IKED CCOC(=O)CC[C@@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 611049083 QFVYAUWFYDWDJW-FQEVSTJZSA-N 449.551 5.033 30 20 IKED N#C[C@H](C(=O)c1cc(F)cc(Br)c1)c1nc(-c2ccc(Cl)cc2)cs1 613319309 BWLNTIVMAJYPTB-OAHLLOKOSA-N 435.705 5.855 30 20 IKED N#Cc1ccc([N+](=O)[O-])c(N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c1 613422862 HECBLNIEAIYNKU-JOCHJYFZSA-N 447.539 5.160 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(F)c(C(F)(F)F)c(F)c1 617462735 BOSNZPMITRWKBU-UHFFFAOYSA-N 433.336 5.603 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2OC)C(C)C)nnc1-c1cccc(C)c1 639426937 IWAKHYHFHCGJBO-OAQYLSRUSA-N 436.581 5.204 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C4CC4)nc4c3cnn4C(C)C)n2)cc1 642281302 XFYMAZZRXLTVQD-LJQANCHMSA-N 441.560 5.812 30 20 IKED FC(F)Oc1ccc(Cl)cc1CNC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642338931 OVLRSLXJYMVBPZ-UWVGGRQHSA-N 425.747 5.941 30 20 IKED COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 642602537 QXVOVCIUIVWRRF-QFIPXVFZSA-N 432.907 5.388 30 20 IKED O=C(Nc1cnn(-c2ccccc2F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 674856985 LRMVHQNPIUXFFT-GHMZBOCLSA-N 438.347 5.042 30 20 IKED O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 678341161 WCJYZZQTKFJEQX-HZSPNIEDSA-N 448.329 5.539 30 20 IKED O=C(c1cnc(Cc2ccccc2F)s1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 681225938 POPYSMOFIFNWAV-TXEJJXNPSA-N 440.384 5.076 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3cccc(OC4CCCC4)c3)n2)cc1 727955909 XRZCDXVKWWXPBK-OCUNKTDNSA-N 439.540 5.893 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CCC[C@@H]2c2ccccc2C(F)(F)F)c1=S 728050309 RPBCJDIPGXPVTE-LJQANCHMSA-N 445.514 5.475 30 20 IKED C[C@H](NC(=O)CNc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1Cl 728200905 SDSRYSXXZNWHEK-INIZCTEOSA-N 437.902 5.219 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)OCc1ccc(F)cc1C#N 728622165 CBKDNAAOJDUSKQ-UHFFFAOYSA-N 428.872 5.330 30 20 IKED C[C@H](C#N)Oc1ccc(/C=C/c2nc3ccccc3c(-c3ccccc3)c2CC(=O)O)cc1 728698899 BLVATJTZCMFUNF-NRMGUKERSA-N 434.495 5.990 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)cc1 729036370 OPKUUILIAUYXFL-SANMLTNESA-N 436.515 5.289 30 20 IKED COCCSc1ccc([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 729037133 WECMORWXFIAARL-DFBJGRDBSA-N 445.588 5.963 30 20 IKED CC[C@H](C)Oc1ccccc1/C=C/C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 729892570 BXXANOSVWBWAIO-GURWAVDKSA-N 427.529 5.749 30 20 IKED CC[C@H](C)c1ccccc1N1C[C@H](C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)CC1=O 730420770 FYQBGFDWRIDKJH-HDMKZQKVSA-N 435.524 5.178 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2sccc2SC(F)F)cc1 730480303 AUXLLISFDKOFTP-UHFFFAOYSA-N 430.501 5.960 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 730919368 CJHVZFOXKZVRJS-HBMCJLEFSA-N 436.483 5.606 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1 731196030 ULAUEIGFGCEZPF-QGZVFWFLSA-N 434.323 5.013 30 20 IKED CCCOc1c(Cl)cc(/C=C\C(=O)c2ccc(C(F)(F)F)nc2O)cc1OCC 731564424 DYSFZCONERGGDV-ALCCZGGFSA-N 429.822 5.543 30 20 IKED COc1cc(CON=C(Cc2nc3ccccc3n2C)c2ccccc2)ccc1SC 731664179 AIPVIEDTUJYQMA-UHFFFAOYSA-N 431.561 5.467 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)c1 733775302 RXUQXJBBMWAGBL-FQEVSTJZSA-N 442.544 5.212 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)cc2)C[C@@H](C)O1 734322920 PRFYHHOFPBMRQS-BGYRXZFFSA-N 441.531 5.003 30 20 IKED CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1cccc(COc2cccc(C#N)c2)c1 734592547 KKVBXHWGGVCLNU-KRWDZBQOSA-N 446.528 5.043 30 20 IKED COc1cc(COC(=O)c2cc(Cl)nc(Cl)c2)ccc1OCc1cccc(C#N)c1 735144494 PSNRGVUCLMQRCP-UHFFFAOYSA-N 443.286 5.205 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)cc1 739511366 FEOJOWQWPKOJRP-OAQYLSRUSA-N 447.420 5.194 30 20 IKED O=C(/C=C/c1ccc(Oc2cnccn2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 743056047 BEPKPFYIFRTBHG-JXMROGBWSA-N 429.457 5.802 30 20 IKED Cc1nn(C)c(C)c1C[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 744035799 QSITXFSJDJWIMA-DIFFPNOSSA-N 447.391 5.522 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 745267815 ACKRLDBDJZEICW-DEOSSOPVSA-N 426.476 5.470 30 20 IKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)O[C@H](C)C(C)(C)C#N 753613681 PMJAYLJNAZVWBP-UONOGXRCSA-N 441.578 5.167 30 20 IKED C[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)C(c1ccccc1)c1ccccc1 754275827 WSBSQTATHQRGFP-AUSIDOKSSA-N 432.527 5.034 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(C2CC2)[C@H](C)c2ccc3ccccc3c2)c1 754919867 KRGYDUXZVXMKKQ-KBMIEXCESA-N 427.548 5.956 30 20 IKED CC(=NNc1ccccc1Br)c1ccc(CNC(=O)OC(C)(C)C)nc1C 760250942 PTVDGJSMPGEUQE-UHFFFAOYSA-N 433.350 5.013 30 20 IKED CC(C)(C)OC(=O)N(CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)c1ccccc1 761092052 FLFGGKLWIRPRLX-IBGZPJMESA-N 433.533 5.428 30 20 IKED C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 763727118 ZEJKLBGHPHZBOL-YSZBQJHXSA-N 448.567 5.109 30 20 IKED O=C1C=CC=N/C1=C(/O)NCCN[C@H](CC1CCCC1)c1ccc(Oc2ccccc2)cc1 772985038 PZRQDBSCUFOPDR-ZKSQKOBWSA-N 445.563 5.216 30 20 IKED CC(C)(C)OC(=O)N[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)C1CC1 777297720 UNBREAVQSBSAQW-DLBZAZTESA-N 445.972 5.333 30 20 IKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCCC#N)cc1 784117523 HCQXHWBDCHPZFK-OAQYLSRUSA-N 434.565 5.074 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cc(C(F)(F)F)cnc3Cl)c2)cc1 790840626 ZDEWKBQXEREVER-UHFFFAOYSA-N 445.828 5.651 30 20 IKED Cc1nn2c(C=NNc3ccc(-c4cccc(C(F)(F)F)c4)nn3)c(C(C)C)nc2s1 794979831 VJULNTNAYBLLFH-UHFFFAOYSA-N 445.474 5.144 30 20 IKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(CC)C1=O 799222190 XMAGRZCGDUXSNE-LJQANCHMSA-N 445.972 5.109 30 20 IKED N#CC1(CCCOC(=O)c2ccc(-c3ccc(Br)s3)s2)CCOCC1 800197866 MMVAVOOEGSUIFK-UHFFFAOYSA-N 440.384 5.496 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 801661354 OOBJTYFJJJLGBJ-LJQANCHMSA-N 429.373 5.722 30 20 IKED C=C(C)Cn1c(Cc2ccc3ccccc3c2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 802562888 BSMKZTUSBXXHRJ-AREMUKBSSA-N 449.558 5.048 30 20 IKED N#Cc1ccc(N=c2scc(-c3cnccn3)n2[C@H]2CCOC3(CCC3)C2)cc1Cl 803193967 JUMXWVLEDHJJHL-KRWDZBQOSA-N 437.956 5.038 30 20 IKED COc1cccc([C@H](CNc2nc(Cl)c(C#N)s2)c2c[nH]c3ccccc23)c1OC 804325847 YQBNECPRXRLEIR-INIZCTEOSA-N 438.940 5.411 30 20 IKED C=C(C)CN1C(=O)/C(=C/c2cc(OC)c(OCc3ccccc3)c(OC)c2)SC1=S 814292071 LXYMPFISMYWKMU-NDENLUEZSA-N 441.574 5.060 30 20 IKED COc1cc(/C=C\C(=O)c2cccc(F)c2)ccc1OCC(=O)Nc1ccccc1Cl 916134779 YUQIJEBCLMZTCV-LUAWRHEFSA-N 439.870 5.401 30 20 IKED COc1cccc(NC(=O)[C@H](C#N)C(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)c1 916891484 UXTREAHIILKIHM-ZMOVQZPESA-N 436.920 5.438 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl 916902331 DWPCJZIYSOQNDU-VEGGFIAOSA-N 448.872 5.844 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 916903489 OSCWJJDYHBVVCB-FQEVSTJZSA-N 445.567 5.222 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc2cc(Cl)ccc2c1Cl 916904124 WXXUYBVBZOAMQL-MRXNPFEDSA-N 445.371 6.294 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(Oc2ccccc2)c1 916927448 JWLZPULBISAZGK-GOSISDBHSA-N 425.271 5.747 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1sc2cccc(Cl)c2c1Cl 916937615 DKGMELGSTPCWTO-SECBINFHSA-N 441.698 5.962 30 20 IKED CCN(CC)c1ccc2cc(C(=O)/C=C\c3ccc(OC)c(OC(F)F)c3)c(=O)oc2c1 917614870 BBBGGSVYSQTGPG-POHAHGRESA-N 443.446 5.145 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2ccsc2NC(=O)c2ccc(C(C)C)cc2)cc1 918658094 CWMTVSIHVMOGDK-UHFFFAOYSA-N 447.560 5.292 30 20 IKED C[C@@H](OC(=O)CSCc1ccc(C#N)cc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 919207016 LKGZJEZOYDPPRD-CYBMUJFWSA-N 447.438 5.165 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)ccc3F)cc2)CCC1 1785964079 AMUAQVCOBHQAQF-HNNXBMFYSA-N 445.922 5.028 30 20 IKED CC(F)(F)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)ccc3F)CCC2)cc1 1786454569 AAGWBZLPLHSXRW-UHFFFAOYSA-N 443.469 5.126 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccccc3C(F)(F)F)CCC2)cc1 1786679557 UACWWMFHWITCSO-UHFFFAOYSA-N 448.510 5.372 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc4c3cnn4C)cc2)CCC1 1789087923 VGEUISYGYFPFLX-NRFANRHFSA-N 442.563 5.089 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4cccs4)CCC3)cc2)c1 1790255920 DJILADXAKUCKCN-VAWYXSNFSA-N 427.529 5.081 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cccnc3SCC)CCC2)cc1)C(F)(F)F 1791302820 ZWBVEEGHHQQPKZ-UHFFFAOYSA-N 449.498 5.060 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2Cl)[C@@H]1c1cccnc1 1811703595 IABCCBDQAXGZIB-UGKGYDQZSA-N 439.987 5.047 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)[nH]n1 1814444102 UAVQXKPNANEWQT-JOCHJYFZSA-N 447.583 5.118 30 20 IKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccccc3)CCCC2)[nH]n1 1822580149 NYNXRQQGZSUSGS-QHCPKHFHSA-N 446.595 5.107 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)C(C)(F)F)CC1 1823751447 USHMKJGLRTYAKW-LJQANCHMSA-N 426.592 5.280 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccccc2CC)cc1 10173532 VUTIFLKEGVRFOM-UHFFFAOYSA-O 425.524 5.428 30 20 IKED C=CCn1c(SCc2nc(N)c3c(C)c(C)sc3n2)nnc1-c1ccc(Cl)cc1 10533033 LXKAHDPIJBHENM-UHFFFAOYSA-N 443.001 5.281 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2)c2ccccc2)nnc1-c1cccc(C)c1 10533092 BIOPQPATAMXXGY-QHCPKHFHSA-N 440.572 5.912 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(Cl)cc2)cc1 10832803 KSRDSOWVITVSMF-UHFFFAOYSA-O 436.000 5.730 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2nc(/C=C/c3ccccc3)n[nH]2)n(C2CCCC2)c1C 12837932 RYOAZAFHTLGQRW-OUKQBFOZSA-N 446.580 5.111 30 20 IKED Cc1ccc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)[nH]2)cc1 16633553 TVBIYSPTVQYQFM-UHFFFAOYSA-N 448.596 5.306 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(Nc2cccc(OC)c2)s1 17144779 DHTRBVADZATJNS-UHFFFAOYSA-N 444.607 5.299 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](CCC)c2ccccc2)nnc1-c1ccc(F)cc1 21338222 XMIPGLQRMMOBDJ-UWJYYQICSA-N 438.572 5.408 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)NCc1ccc(OC)cc1 22692962 YPOKVEXQMWEFAM-UHFFFAOYSA-O 447.624 5.397 30 20 IKED O=C(/C(=C(/S)Nc1ccc(Cl)cc1Cl)[n+]1ccccc1)c1cc(F)ccc1F 22731072 FFEFVKHPUKPGSB-UHFFFAOYSA-O 438.306 5.610 30 20 IKED C=CCc1cc(CNC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc(OC)c1OC 65388846 VIPNKTOEFGMFOD-UHFFFAOYSA-N 448.485 5.325 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nnc1-c1ccccc1 69303277 PPMQTVKHWWWUSH-KRWDZBQOSA-N 448.592 5.479 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)c1 107512521 GUKSAMDPSKTWDJ-UHFFFAOYSA-N 427.357 5.221 30 20 IKED CCN(c1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1)C(C)C 109715347 FRGRYFBVJSWSBG-UHFFFAOYSA-N 427.548 5.819 30 20 IKED N#CCN(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccccc1 195730252 IXHPWCWXZDWQBF-UHFFFAOYSA-N 426.907 5.292 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)COc3ccccc3OCC(F)(F)F)cc2)c1 303394078 YRACVHHKWYZDJG-UHFFFAOYSA-N 442.393 5.309 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 430624402 ICLFSIVYWKCIJE-OAHLLOKOSA-N 445.997 5.928 30 20 IKED CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(C#N)cc1Cl 430832642 HZDHIHITVCMTOL-UHFFFAOYSA-N 434.710 6.549 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 432526368 NACMNDWBCLWPKI-DEOSSOPVSA-N 447.485 5.045 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(Cc2cccc(F)c2)CCOCC1 432713963 NWAUSPCDHIZMIG-UHFFFAOYSA-N 445.494 5.171 30 20 IKED C[C@@]12CCN(C(=O)Nc3cc(C(F)(F)F)ccc3SCC(F)F)C[C@@H]1C2(F)F 432961356 SFTBKXMJCHBJKQ-SWLSCSKDSA-N 430.389 5.572 30 20 IKED Cc1nc2cc(Cl)c(NC(=O)NC3CCC(Oc4ncccc4C#N)CC3)cc2s1 435196375 MILLANGJBOOPQH-UHFFFAOYSA-N 441.944 5.037 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c(C(F)(F)F)c3)n2)cc1 437378242 RTSFEQRJUFSRLU-AWEZNQCLSA-N 431.826 5.844 30 20 IKED COc1cccc(-c2nc(CSCc3ccc(C#N)cc3OC(F)F)cs2)c1OC 439543714 RWSPUQFJWLJCQB-UHFFFAOYSA-N 448.516 5.734 30 20 IKED C[C@@H](Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(=O)N(CCC#N)c1ccccc1 439590177 BIIPKYGIKJGNFK-GOSISDBHSA-N 430.464 5.134 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N(Cc1ccccc1F)C1CCCCC1 439635587 BCHKDYNVRYDRPL-UHFFFAOYSA-N 439.556 5.131 30 20 IKED CCCc1c(NC(=O)c2ccc(OC)c(-c3ccccn3)c2)cnn1-c1cccc(C#N)c1 440090963 VWBPUQXCXUZGDV-UHFFFAOYSA-N 437.503 5.019 30 20 IKED Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 443865404 FMLWSTVKDZOCOW-RUZDIDTESA-N 439.515 5.097 30 20 IKED C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(-c2cccc(C#N)c2)cc1 444298723 YOFJWQJXEFJOBM-GOSISDBHSA-N 443.506 5.711 30 20 IKED C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CCC[C@H]1c1ccc(COC)o1 460377019 RHZIRDZTOWOLNB-FQEVSTJZSA-N 426.948 5.179 30 20 IKED C[C@@H](C(=O)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1)c1cccc(C#N)c1 461992869 KHCGFZDJWOWFPC-MRXNPFEDSA-N 429.907 5.043 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 462873801 ZIOHUBIFUDDRNJ-UHFFFAOYSA-N 443.256 5.134 30 20 IKED CC(C)c1nn(C)c2sc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc12 463287486 YVPBIMJAKBFEIO-UHFFFAOYSA-N 446.551 5.612 30 20 IKED Cc1cccc(Br)c1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 463454416 JJEPYEARMVUVOY-UHFFFAOYSA-N 434.293 5.134 30 20 IKED N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(Br)c(Cl)c3Cl)n2)c1 466329115 XVHAXFJPKIDTSN-UHFFFAOYSA-N 436.096 5.066 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nc(O)c(C)c(-c3ccccc3)n2)c1 467204939 FLUHPGORUMZMBR-IBGZPJMESA-N 446.576 5.202 30 20 IKED C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469946622 DPHNFFUYGCLKCK-MRXNPFEDSA-N 443.469 5.106 30 20 IKED C=CCC[C@@H](NC(=O)N1CC[C@@]2(C1)OCc1ccccc12)c1ccc(C(F)(F)F)cc1 472755411 WMBYARGNDKLETI-GGAORHGYSA-N 430.470 5.554 30 20 IKED N#Cc1cnn(-c2ccc(C(=O)Nc3ccc(Cl)cc3-c3ccc(Cl)cc3)cc2)c1N 473571873 SLDXKASAKTZXSO-UHFFFAOYSA-N 448.313 5.552 30 20 IKED CCc1c(-c2ccc(Br)cc2)n[nH]c1NC(=O)C[C@@H](CC#N)c1ccccc1 475911802 PBFDRBVMVCOBAP-QGZVFWFLSA-N 437.341 5.428 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N2CCC(COc3ccccc3C(F)(F)F)CC2)cc1 476748626 RLCMAQNYZCAVHR-UHFFFAOYSA-N 430.470 5.438 30 20 IKED CC[C@H](C)c1ccc([C@H](NC(=O)N2CCC(C#N)(COC)CC2)c2cccs2)cc1 476840541 BMLFLOVKQLHGMB-AVRDEDQJSA-N 425.598 5.313 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1nc(-c2cc3ccccc3o2)cs1 480560172 DZLXGKQUDALIJS-HNNXBMFYSA-N 448.573 6.272 30 20 IKED COc1ccc2ccccc2c1-c1cc(CN2CCCN(c3ccccc3C#N)CC2)on1 480713219 DREOKZRYNVZRDZ-UHFFFAOYSA-N 438.531 5.087 30 20 IKED C=C(C)CN(CC)C(=O)[C@H](C)Sc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1 481365432 AZBRAETYZFGMGB-INIZCTEOSA-N 444.988 5.145 30 20 IKED C=CCn1c(SCc2nnc(-c3cccc(Cl)c3)o2)nnc1-c1cccc(OC)c1 481395444 BJFVONJEOBCHLG-UHFFFAOYSA-N 439.928 5.135 30 20 IKED N#Cc1cnc(Sc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)c(Cl)c1 481844431 WEQNGNJOJNUMBO-UHFFFAOYSA-N 425.304 5.054 30 20 IKED CC[C@H](NC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1nc(C(F)(F)F)cs1 482408729 WHZXNEGQGXVSQB-CABZTGNLSA-N 447.351 5.494 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(COC(F)(F)F)cc3)n2)cc1 483519575 QKGDHWLFZSNOBK-KRWDZBQOSA-N 427.407 5.208 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@](C)(CO)Cc1ccccc1 483859339 MSCCNENIJNCPAD-SANMLTNESA-N 429.520 5.022 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N(C)[C@H](C)c1ccccn1 484868171 XSKVFIMPSDXQOZ-QGZVFWFLSA-N 434.565 5.253 30 20 IKED Cc1nc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)nn1-c1ccccc1C(C)C 486568126 TVYGCCUZODRAGQ-UHFFFAOYSA-N 431.584 5.024 30 20 IKED C=CCn1c(S[C@H](C)c2nc(N)c3c(C)c(C)sc3n2)nnc1-c1ccccc1C 488909844 CIDKXYMAXKMMBB-OAHLLOKOSA-N 436.610 5.497 30 20 IKED CCN(CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)CCC(F)(F)F 494561015 BQVWGONVBILVAE-UHFFFAOYSA-N 434.462 5.055 30 20 IKED N#C[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1cccc(Br)c1 496339198 KAJZBWWOLJIYQD-QGZVFWFLSA-N 446.757 5.150 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccccc2OC[C@H]2CCCCO2)c1 500771987 WWUDXUXLKMENRC-XMMPIXPASA-N 442.515 5.337 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(CN2CC=C(c3ccc(C#N)cc3)CC2)cs1 502555509 XWIXJEBUJFLXMW-UHFFFAOYSA-N 448.979 5.642 30 20 IKED Cc1ccc(/C=C/c2cc(C(=O)NCCCCC#N)c3cc(Br)ccc3n2)o1 505073640 GRVKPCDMNGBIQN-VQHVLOKHSA-N 438.325 5.493 30 20 IKED O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cc(N2CCCC2=O)ccc1F 505346879 YIXXAZCMXXBVSK-QGZVFWFLSA-N 448.338 5.005 30 20 IKED CC(C)c1noc2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c12 505429988 WENSYZPZFQUJGH-CQSZACIVSA-N 435.434 5.458 30 20 IKED CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 506069188 IDKFDGUUHOCUGY-UHFFFAOYSA-N 444.535 5.114 30 20 IKED CC(C)(C)c1cc(CS(=O)(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)no1 506661024 DZHGKFDAJWRSTB-UHFFFAOYSA-N 445.928 5.231 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc3c(c2)NC(=O)CS3)cc1 507132598 NIIAEMZQFIKKJJ-UHFFFAOYSA-N 431.542 5.147 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1 508294068 WFCQWFRQURCIQB-XMMPIXPASA-N 447.466 5.104 30 20 IKED COc1ccc2c(-c3ccccc3)c(C(=O)Nc3cccc(OCCCC#N)c3)oc2c1 508437952 KMGJYKHMFZTICH-UHFFFAOYSA-N 426.472 6.043 30 20 IKED C=CCn1c(CSc2ccccc2OC)nnc1N1CCSC2(CCCCC2)C1 508798810 XNUTXUVZAVDUSP-UHFFFAOYSA-N 430.643 5.021 30 20 IKED C=CCn1c(-c2cccnc2)nnc1N1CCC(c2nc3cc(Cl)ccc3s2)CC1 508874935 SPAYVPYMOWOWHY-UHFFFAOYSA-N 436.972 5.173 30 20 IKED C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C(F)(F)F)C(C)(C)C1 508885397 PFZYNOKJSQQRSU-RHSMWYFYSA-N 426.458 5.158 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)sc2nc(C(F)(F)F)ccc12 512958614 LJTPULSOIJQDSD-CYBMUJFWSA-N 444.463 5.632 30 20 IKED N#Cc1ccccc1OCC(=O)C(c1nc2ccccc2s1)c1nc2ccccc2s1 513691485 DJMDGDHLTDZCRP-UHFFFAOYSA-N 441.537 5.558 30 20 IKED C[C@@H](NC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1)c1ccc(C#N)cc1 517597104 HVVZXCPFDITTQX-GOSISDBHSA-N 439.519 5.031 30 20 IKED Cc1ccc(N(Cc2cccs2)S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1 517690867 UBVOEJLOSOSNMJ-UHFFFAOYSA-N 436.480 5.343 30 20 IKED Cn1ccnc1[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(Cl)cc1 518271700 HNEVQBDXVFAAFK-VWLOTQADSA-N 442.950 5.403 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 519008507 QNDJKYOHOJYHMG-UHFFFAOYSA-N 445.519 5.256 30 20 IKED Cc1nc(CCC(=O)N(CCC#N)CCC(C)C)oc1-c1ccc(Br)cc1 519317598 HZGVWCZHQCCRRK-UHFFFAOYSA-N 432.362 5.134 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cn(C)nc3-c3ccccc3Cl)n2)cc1 519498349 DKRXNBWEFVFEHH-QGZVFWFLSA-N 432.936 5.663 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C 520132608 IRDGAYNOGQYYIX-QGZVFWFLSA-N 436.537 5.486 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2ccccc2)nc1O 521141359 ZBBUKBJJJPHAEE-UHFFFAOYSA-N 437.474 5.620 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1OC(F)F 522025859 BEYFIFNURURXGV-UHFFFAOYSA-N 446.450 5.003 30 20 IKED CN(C)c1cccc([C@H]2CCCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1 522784169 REIBIRPPMAWESG-JOCHJYFZSA-N 431.565 5.041 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(OC2CCC(C)CC2)CC1 523502450 ZFKIVMUFMRHARZ-UHFFFAOYSA-N 425.491 5.470 30 20 IKED COc1ccc(CCN(CC(C)(C)C)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 524514606 JVOAHCYJKKWLQE-UHFFFAOYSA-N 443.547 5.485 30 20 IKED C=C[C@H](CC(=O)N1C[C@@H]2CCCN(C(=O)C[C@@H](C=C)c3ccccc3)[C@@H]2C1)c1ccccc1 533939655 RHAXUXIEXKRHQI-JUIYCPNDSA-N 442.603 5.156 30 20 IKED COc1ccc([C@H](NCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C2CC2)cc1 537291106 TXLONIGEHVVOKH-HHHXNRCGSA-N 428.532 5.395 30 20 IKED O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1sccc1OC(F)F 538792090 CWPGYBICSZFVJY-UHFFFAOYSA-N 427.301 5.132 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cc(OCC(F)(F)F)c3ccccc3n2)cc1 540061225 YARCVROWJSZWFL-UHFFFAOYSA-N 443.425 5.135 30 20 IKED CCc1sc(-c2nnc(CN[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)o2)cc1C 543870645 BQQDKCRCIKVAEC-KRWDZBQOSA-N 428.561 6.058 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)cc3F)C2)cc1 547991556 YNCFQIWKFNQRBP-HSZRJFAPSA-N 435.430 5.234 30 20 IKED N#CC1(c2ccccn2)CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 548792799 CQBFRZVEKCJRJF-UHFFFAOYSA-N 448.910 5.493 30 20 IKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)[C@@H]1CCCC(F)(F)C1 548827140 PWJFIYGYWLAYLH-SNVBAGLBSA-N 435.311 5.333 30 20 IKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)c2c(Cl)ccc(F)c2F)cc1 551107095 KCXGGDVYOINSJZ-UHFFFAOYSA-N 448.878 5.064 30 20 IKED CC(C)c1nc(C(=O)N(CCC#N)c2ccc(F)cc2)nn1-c1c(Cl)cccc1Cl 554282557 AFAZUIRAHSVGBU-UHFFFAOYSA-N 446.313 5.397 30 20 IKED C=CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1 554931105 XNZBHJDPRXRXHL-UZLBHIALSA-N 427.474 5.056 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCc1ccc2ccccc2n1 556510362 HLIJTDGMGCNIOU-UHFFFAOYSA-N 436.515 5.358 30 20 IKED N#Cc1ccc(CNCc2cccc(-c3nc(CC(F)(F)F)no3)c2)c(C(F)(F)F)c1 558492052 OMHDBSNJEXMPFV-UHFFFAOYSA-N 440.347 5.022 30 20 IKED CN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc3ccccc3n2)n1Cc1cccs1 559165534 FRCYSZPLUOEGBV-UHFFFAOYSA-N 436.544 5.111 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1)[C@H]1C[C@H]1C 571913751 PFVMLBBMYPEUQQ-HXOBKFHXSA-N 441.556 5.723 30 20 IKED CC1(C)CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)[C@@H]1C1CC1 574965136 IOYQKMLQILAWQX-QGZVFWFLSA-N 434.487 5.277 30 20 IKED CC[C@H](c1ccccc1)c1nnc(SCC(=O)c2cn(CCC#N)c3ccccc23)o1 589890610 HCULQJKTHNTMDL-GOSISDBHSA-N 430.533 5.455 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC[C@@H](c2ccccc2F)C1 593513531 VSLLLUYUAXNVPO-JHJVBQTASA-N 426.376 5.234 30 20 IKED COc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)ccc1OCc1cscn1 603507277 KDFUXFRNPGEBKG-ZDUSSCGKSA-N 439.562 5.041 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 603533265 YKGLBLPOBWZGBL-MRXNPFEDSA-N 445.519 5.286 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(-c4ccc(F)cc4)o3)s2)cc1 603834835 GGDDPPKLDXUYDI-UHFFFAOYSA-N 436.493 5.353 30 20 IKED CC(=O)N[C@H](CC(=O)Nc1sc2c(c1C#N)CCCCCC2)c1ccc(Cl)cc1 603996159 COORKIWPUGASJL-LJQANCHMSA-N 429.973 5.138 30 20 IKED CC(C)c1ccc(OC2CCN(C(=O)c3occc3COc3cccc(C#N)c3)CC2)cc1 608805307 UWEFBPOUXJRVJJ-UHFFFAOYSA-N 444.531 5.537 30 20 IKED CC(C)Oc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c(C(F)(F)F)c1 608920625 VFKDVODHABOCNY-UHFFFAOYSA-N 433.474 5.484 30 20 IKED CC(C)C[C@H](C)N(c1ccc2[nH]ccc2c1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 609019360 QPNPZDSFSIYCQX-HNNXBMFYSA-N 449.498 5.688 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 609061367 BBWAXVFHNUCZJZ-KRWDZBQOSA-N 447.516 5.473 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc4c(c3)CCCC(=O)N4)cc2Cl)c1 609062568 VRASASRXDFCKKU-UHFFFAOYSA-N 445.906 5.318 30 20 IKED CCCN(C(=O)c1cc(OC)c(Br)c(OC)c1)c1cc(Cl)ccc1C#N 609286290 SAUPDMYNWPESSX-UHFFFAOYSA-N 437.721 5.048 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2nnc(Cc3ccccc3)s2)cc1 609297636 WQPCFRMPESVJRZ-UHFFFAOYSA-N 430.464 5.184 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 609400221 SRNSVAPIGBRVQJ-JOCHJYFZSA-N 449.963 5.190 30 20 IKED N#Cc1cccc(Oc2ccc(NCc3nc(O)c4ccc(C(F)(F)F)cc4n3)cc2)c1 609432433 NZNKXVMBBNRPHH-UHFFFAOYSA-N 436.393 5.630 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 609437846 SZAQWJHHCXCVOG-KXBFYZLASA-N 427.957 5.036 30 20 IKED Cc1cc(CN(C(=O)CSCc2ccc(C#N)cc2)C2CCCC2)c2ccccc2n1 609491469 GGAFUJIPLYKWQF-UHFFFAOYSA-N 429.589 5.620 30 20 IKED Cc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1C(=O)N(C)C 610128622 DMOWOTLSZPQYGS-UHFFFAOYSA-N 429.545 5.113 30 20 IKED CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 610174493 LDCXDCXIGHOHSZ-UHFFFAOYSA-N 427.504 5.265 30 20 IKED COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)N[C@@H](C)c2cccc(C#N)c2)CCC3)cc1 610403120 YAHLHIWTZYUELK-BTYIYWSLSA-N 432.549 5.128 30 20 IKED CC(C)n1ncc2cc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cnc21 610912688 PJIGTLJUUWQSOL-UHFFFAOYSA-N 427.533 5.428 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC(OCc4ccccc4F)CC3)c2)cc1 611262046 OYWAYJICEADQDC-UHFFFAOYSA-N 430.479 5.311 30 20 IKED C=CCN(Cc1cccs1)C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 612068060 JNQRRBAONWHLCG-UHFFFAOYSA-N 445.338 5.184 30 20 IKED N#C[C@@H](C(=O)c1ccc(Br)cc1)c1nc2cc(C(F)(F)F)ccc2s1 613404004 MOGCRIYUBWISDC-LBPRGKRZSA-N 425.229 5.568 30 20 IKED O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC(c2nc(C(F)(F)F)cs2)CC1 622639560 IHPHWGFKBPOFBS-UHFFFAOYSA-N 426.357 5.340 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 672217772 OINNIVJCWUACEL-UHFFFAOYSA-N 447.318 5.485 30 20 IKED CC(C)Oc1ccc(NC(=S)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 726467823 CFKDAPZYZGSFHL-UHFFFAOYSA-N 431.561 5.928 30 20 IKED N#CCCCOc1cccc(/C=C2\SC(=S)N(c3ccccc3C(F)(F)F)C2=O)c1 726802239 XUXXMHKEZCVBKP-AQTBWJFISA-N 448.491 5.794 30 20 IKED Cc1cc(NC(=O)c2cc(-c3nc4ccccc4s3)nc3ccccc23)n(CCC#N)n1 727486886 QYOGVDDCGSNPSJ-UHFFFAOYSA-N 438.516 5.182 30 20 IKED Cc1cnc(O)n1-c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 729319703 NQBBJJKTIYVBER-QFIPXVFZSA-N 442.906 5.448 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(c2cc3ccccc3[nH]2)CC1 731031055 PHUUEIJBOGBNJU-SFHVURJKSA-N 432.593 5.380 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)ccc1OC 733621589 GEWGIRQDTCIIPC-FQEVSTJZSA-N 446.507 5.194 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(N(C)Cc3ccccc3)cc2)cc1 733626808 VSWMLOGJIJJJEX-UHFFFAOYSA-N 429.524 5.275 30 20 IKED Cc1cc(-c2csc(=Nc3ccccc3C#N)n2[C@H]2CCC[C@@H](C(=O)N(C)C)C2)c(C)[nH]1 734091717 BZDPIPBRADUJJY-QUCCMNQESA-N 447.608 5.085 30 20 IKED N#C[C@H](C(=O)Cc1c[nH]c2ccc(F)cc12)c1nc(-c2ccc(Cl)cc2Cl)cs1 734706435 HOPFYRQCRSFIMG-MRXNPFEDSA-N 444.318 6.156 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 735366874 RITHXOAFIFDQHO-QGZVFWFLSA-N 441.375 5.691 30 20 IKED CN(CCC#N)c1ccc(CN[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1 742383175 UVRDECCBQGLYFP-AREMUKBSSA-N 447.966 5.340 30 20 IKED Cc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1NC(=O)OC(C)(C)C 742537448 JUTSKSROUODVSQ-QHCPKHFHSA-N 441.531 6.250 30 20 IKED Cn1ccnc1C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 743092859 FPGPDELJCVAJJH-DQEYMECFSA-N 435.531 5.181 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@H](C)c3ccccc3C(F)(F)F)n2)cc1 744060849 CWEPZFUPDBZIIN-KBXCAEBGSA-N 444.478 6.208 30 20 IKED CC(C)c1nn(-c2ccccc2)c(Cl)c1/C=C\C(=O)c1cccc(N2CCOC2=O)c1 745626755 QXDHKRINGOLDNV-QXMHVHEDSA-N 435.911 5.502 30 20 IKED C=CCn1c(-c2ccccc2F)nn(CN2CCC(OC3CCCCC3)CC2)c1=S 747800161 LNZHYOHZHFDQNF-UHFFFAOYSA-N 430.593 5.177 30 20 IKED CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2ccc(C#N)s2)NC(=O)N1Cc1cccs1 749014243 KRFINBIRGLTEHB-OAQYLSRUSA-N 448.573 5.169 30 20 IKED C[C@H](OC(=O)CSc1ccc(C#N)cc1)c1nnc(-c2ccc(Cl)cc2Cl)o1 758013826 IOIDVJCVVFLAIR-NSHDSACASA-N 434.304 5.312 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(-c2nc(-c3ccc(-n4ccnc4)nc3)no2)c1 761480344 DHERIHCGDHPXAS-UHFFFAOYSA-N 440.850 5.302 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)O[C@@H]2CCO[C@@H](C3CCOCC3)C2)cc1Cl 763126718 VACKVTGCCNODBZ-AUSIDOKSSA-N 441.911 5.135 30 20 IKED Cc1ccc(Cn2nc(C)c(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)c2Cl)cc1 768138409 UUQHQBMDWJXQLX-KRWDZBQOSA-N 447.753 5.503 30 20 IKED Cc1ccc(Cn2nc(C)c(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)c2Cl)cc1 768173224 BVYMDBVOOATECX-SFHVURJKSA-N 447.753 5.503 30 20 IKED N#CCCn1cc(CN2CCCCC[C@H]2C[C@H](O)c2cccs2)c(-c2ccccc2)n1 770297289 YRYIRBIIIJRTJF-GOTSBHOMSA-N 434.609 5.394 30 20 IKED Cc1ccc(-c2csc3nc(/C(Cl)=C/c4ccc(F)c(C#N)c4)nc(O)c23)s1 770570811 KKLHIEUAENFNOE-AUWJEWJLSA-N 427.913 6.182 30 20 IKED Cc1cc(Br)cc2c(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)coc12 770837838 CLSNCPIUIVDDKY-HNNXBMFYSA-N 431.673 5.118 30 20 IKED Cn1ccnc1C(=O)[C@@H](C#N)C(=O)c1cccc(CSc2c(Cl)cccc2Cl)c1 770875509 BDDNVIJWXWMPDY-HNNXBMFYSA-N 444.343 5.225 30 20 IKED Cc1cc(Cl)cc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)c1O 774590550 VYCYBDOWYKLRQK-UHFFFAOYSA-N 443.743 5.002 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 780148718 MLQKKQUFVMSBNX-LBPRGKRZSA-N 429.263 5.119 30 20 IKED Cc1cc(C(=O)Nc2ccccc2O[C@H](C)C#N)c(C)n1-c1cccc(Br)c1 781035362 ZBAATWYIDQDDPY-OAHLLOKOSA-N 438.325 5.400 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc3ccccc3c2)cc1Cl 782808305 KQXBZSSTYQBDPY-HSZRJFAPSA-N 439.902 5.726 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@@H](c3ccccc3)C3CCCCC3)ccc21 787483373 OIOLDTRBRJGIPN-SANMLTNESA-N 444.579 5.713 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(O[C@H](C)c2ccccc2)cc1 788353264 ZBQZXGVWZGULDJ-CLOONOSVSA-N 440.543 5.913 30 20 IKED N#CCc1ccccc1C(=O)O[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 849211573 YQUHXTYIZNKGKM-OAQYLSRUSA-N 438.405 5.308 30 20 IKED COc1ccc(/C=C\C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1OC 914520767 PNTZACRUWYMYJX-WQLSENKSSA-N 430.479 5.270 30 20 IKED Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)C2)cc1 915086957 YQFCCOIEMHCLKP-AOYPEHQESA-N 437.543 5.141 30 20 IKED Cc1cccc(-c2nn(CN(CCC#N)CCC#N)c(=S)n2-c2ccc(Cl)cc2)c1 915794408 CSGBRSHDAIUNHC-UHFFFAOYSA-N 436.972 5.119 30 20 IKED COc1cc(C(=O)/C=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1OC(F)F 916126634 HPWRHMXWALCONQ-RMKNXTFCSA-N 432.423 5.091 30 20 IKED C=CCN1C(=O)N[C@@H](c2cc(C)ccc2C)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 916166650 PJPFPMRBCKFIKX-NRFANRHFSA-N 443.469 5.487 30 20 IKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12 916916536 VLRCWJZTHYWBKP-QGZVFWFLSA-N 433.533 5.156 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(C=NN(Cc2ccccc2)c2ccccc2)cs1 917530624 RGGMNTUYYSNAKZ-UHFFFAOYSA-N 444.535 6.008 30 20 IKED COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3)n2)c2ccccc12 917559217 GDYKEAJMIGPXPX-LCYFTJDESA-N 446.503 6.025 30 20 IKED CC(C)c1cccc(N=C2NC(=O)[C@H](CC(=O)Nc3ccc(SC(F)F)cc3)S2)c1 917634518 DUJZJNZPZGBEGR-KRWDZBQOSA-N 449.548 5.373 30 20 IKED COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1ccccc1OCC#N 919987377 BEGJWTWRDUESGI-UHFFFAOYSA-N 426.881 5.010 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc4cccnc4s3)cc2)CCC1 1788971072 HPPBEQRESMMOBB-UHFFFAOYSA-N 441.503 5.255 30 20 IKED Cc1c(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)c[nH]4)cc3)CCC2)oc2ccccc12 1790144740 FICVMASLHGEILL-UHFFFAOYSA-N 438.487 5.003 30 20 IKED C[C@H](C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1)n1cccc1 1790767628 DDLRIQOIXAOADY-QGZVFWFLSA-N 446.938 5.022 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cccc4nscc34)cc2)CCC1 1790943082 IAMAQPBSXGYINV-UHFFFAOYSA-N 441.503 5.255 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CCC2)cc1)C(F)(F)F 1791302800 YGSMHNGCORUJBD-WOJBJXKFSA-N 446.444 5.182 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCC3CCCC3)n[nH]2)c1 1816694085 GFOCKEHPRUYHTL-WZONZLPQSA-N 447.583 5.313 30 20 IKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC2CCC2)[nH]n1 1819383940 AEXSWIWFIMTWNP-NRFANRHFSA-N 442.680 5.033 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)ccc2C)CC1 1824137126 AXROEKRUIPKXJA-XMMPIXPASA-N 426.576 5.136 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3[nH]c(C)cc3c2)CC1 1828829370 CEWVOYPXQNPFNE-AHWVRZQESA-N 447.623 5.478 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)CC1 1829904359 USFUPVGXRXOTHU-OXQOHEQNSA-N 437.411 5.439 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC)cc2C)CC1 1830116291 KBJHTUAXZBJOJW-XMMPIXPASA-N 440.628 5.229 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)c(C)c2)CC1 1830566738 MFADUXANPHDSNP-VWNXMTODSA-N 426.576 5.136 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H](C)c2ccccc2)CC1 1831448129 IPABQPQILBYILU-KNQAVFIVSA-N 432.555 5.011 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(C(C)C)cc2)CC1 1831449069 WXGZIJOUIJXWLT-QHCPKHFHSA-N 446.582 5.184 30 20 IKED Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccccc3C#N)nnc2-c2ccccc2)cc1 10239595 WGRWJFWLWCZYRY-SFHVURJKSA-N 439.544 5.234 30 20 IKED N#Cc1ccc(-c2ccc(OC(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)cc2)cc1 14905769 HDSLETWSIGUGQW-UHFFFAOYSA-N 443.480 5.011 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2cccc(C)c2)cc1 22731367 OIBHWEXIUDAEBT-UHFFFAOYSA-O 427.496 5.010 30 20 IKED C=CCn1c(S[C@@H](C#N)Cc2ccc(C)cc2)nnc1-c1ccc(Br)cc1 24729557 YJWZKMGVVFAGCP-LJQANCHMSA-N 439.382 5.429 30 20 IKED Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)ccc2C)cc1 25438863 XLFVQCFYTDTMCS-UHFFFAOYSA-N 447.560 5.158 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2ccccc2F)CCCC1 33197489 CDQBYZGUNZEBTH-CHWSQXEVSA-N 425.388 5.663 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(N3CCCCC3=O)c2)cc1 195547257 SVWYENADLAGOPU-UHFFFAOYSA-N 441.556 5.620 30 20 IKED N#C[C@@H](C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)c1nc(-c2ccncc2)cs1 195662577 PCZDXRJUOJWRRF-XUZZJYLKSA-N 449.539 5.389 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(F)c(F)c2)ccc1OCC(=O)Nc1ccccc1 209518708 LQDQRVPZVNETRM-WQLSENKSSA-N 437.442 5.277 30 20 IKED C[C@H](Nc1cc(C#N)c([N+](=O)[O-])c(N[C@@H](C)c2ccc(C#N)cc2)c1)c1ccc(C#N)cc1 301343551 JNUZTLFTTWSRAP-IRXDYDNUSA-N 436.475 5.556 30 20 IKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4[nH]3)cc12 301765401 RVLWADZRDNMZFG-INIZCTEOSA-N 445.935 5.474 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)c2)cc1 303209562 QUUGRTKNJKQWHW-QHCPKHFHSA-N 426.472 5.099 30 20 IKED Cc1nc(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)n(C2CCCCC2)c1C 303297372 NVDOZFGQEYTHAH-MRXNPFEDSA-N 442.654 5.988 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Nc2cccc(-c3ncco3)c2C)cc1 432845358 DEPSWPYJSYTDGD-UHFFFAOYSA-N 440.459 5.967 30 20 IKED N#CCCC[C@H](NCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)c1ccccc1 433027953 AJPHSBFLDNURGH-FPOVZHCZSA-N 432.549 5.044 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1)c1ccccc1 433152572 RUHCZIUOAYZIRJ-HSZRJFAPSA-N 446.938 6.149 30 20 IKED C=CCn1c(SCC(=O)Nc2cccc(C(=O)CC)c2)nnc1-c1ccc(Cl)cc1 434317967 RVWGGPILBIHGDX-UHFFFAOYSA-N 440.956 5.108 30 20 IKED CC[C@H](O)CN(Cc1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 435663127 MSQPUOBXBXAQRI-VWLOTQADSA-N 443.547 5.137 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2c(F)cc(F)c(F)c2F)cc1 435916230 IGXWTPKONYUWOQ-UHFFFAOYSA-N 430.426 5.337 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)cc1F 437465720 GMTKKODCRVIVNJ-DEOSSOPVSA-N 445.475 5.057 30 20 IKED C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1=O 437481533 BCTGUFUXSKOBJQ-FXAWDEMLSA-N 443.478 5.038 30 20 IKED C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 437756426 HQOZGDBTLOAQKT-NIYFSFCBSA-N 443.522 6.086 30 20 IKED C[C@H](NC(=O)Nc1ccnc(Oc2ccccc2Br)c1)c1ccc(C#N)cc1 438379928 XQQVBQNSNOJUSC-AWEZNQCLSA-N 437.297 5.391 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2cc(F)c(Br)cc2Cl)c1 439616632 SLJIAGKCIVBWFY-UHFFFAOYSA-N 426.673 5.568 30 20 IKED CC(C)c1cccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 446515986 RUXHWWBEKQWSMV-JOCHJYFZSA-N 431.923 5.696 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 448450721 BDQLZYPCYDNZCS-UHFFFAOYSA-N 441.984 5.104 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2Cc3ccc(O)cc3C3(CC3)C2)cc1 463536197 NVALKRKLLURHTO-UHFFFAOYSA-N 441.487 5.144 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)CCc1cccc(Br)c1 463740283 SLTJGKDMARFXNR-HNNXBMFYSA-N 432.387 5.407 30 20 IKED CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 464857341 MPVQCDWASCRSNU-UHFFFAOYSA-N 449.457 5.038 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCC[C@H]3C[C@H]3C[C@H]4CC[C@H]3C4)ccc21 470546088 JXFNDEYGZQSOFW-VKUXKFIQSA-N 434.584 5.092 30 20 IKED C[C@@H](NC(=O)c1cc2c(C(F)F)nn(C)c2s1)c1ccc(-c2cccc(C#N)c2)cc1 471095392 MZIWDJYJSABENJ-CYBMUJFWSA-N 436.487 5.602 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 471215501 JHYVMYQNIVJERJ-UHFFFAOYSA-N 435.578 5.312 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[C@]3(C2)OCc2ccccc23)c1 471597949 SMZWTRIGPVISTH-RUZDIDTESA-N 430.891 5.276 30 20 IKED COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)C[C@H](CC#N)c1ccccc1)CCO2 476111063 ONPOPGLEVFGFDC-JYFHCDHNSA-N 440.543 5.635 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@]2(C1)OCc1ccccc12 480823982 NGHZKTIJELWLAF-HHHXNRCGSA-N 439.515 5.712 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2OC(F)F)nnc1-c1ccc(C)cc1 481364860 DJRJCOADLWNQPI-HNNXBMFYSA-N 444.507 5.160 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2sc(-c3ccc(OCC)cc3)nc2C)cc1 481586889 QAQCIQRGDNJRGV-UHFFFAOYSA-N 436.537 5.077 30 20 IKED N#C[C@@H](C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1cnc2ccccc2n1 483219942 MWHNHDNSKZGNKB-HXUWFJFHSA-N 440.528 5.143 30 20 IKED Cc1ccc(C)c([C@@H](C)N(C)C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 485319799 ORWPMQLGXHPBBQ-LJQANCHMSA-N 427.504 5.126 30 20 IKED C[C@H](Sc1nnc(Cc2cccs2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 488850949 IBWFDXLKAHLOIH-LBPRGKRZSA-N 444.607 5.043 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C(=O)Nc3ccccc3F)C(C)C)o2)cc1 489816921 YUCGULJFRSJYDY-IBGZPJMESA-N 427.501 5.196 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 494028185 PLCGMEUFYYKRPJ-IAGOWNOFSA-N 440.638 5.685 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3C[C@@H]4CCCC[C@H]4C3)s2)c(C(F)(F)F)c1 496368748 ZLPKEPVHKUSDEW-HOTGVXAUSA-N 434.487 5.278 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2coc(-c3ccc(F)cc3)n2)cc1 499568847 DJDIVCKTWFDNBH-UHFFFAOYSA-N 443.434 5.334 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc([C@@H]3CCCOC3)c2)cc1 499606285 AEDXUFHTBGSFKE-HSZRJFAPSA-N 426.516 5.478 30 20 IKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N(Cc1ccco1)c1ccccc1C#N 501016096 DHWUCAQRBFMPPX-UHFFFAOYSA-N 449.514 5.130 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 501697928 AQYGYASKPIXJLE-HSZRJFAPSA-N 440.952 5.347 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 502136110 HTEATCPVGZVBNT-SFHVURJKSA-N 425.463 5.525 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccco2)Cc2ccc(C)s2)cc1 502646499 GUVWNKKQHXQXMD-UHFFFAOYSA-N 449.576 5.698 30 20 IKED N#C[C@@H](C(=O)c1cccc(OCc2cccnc2)c1)c1nc(-c2ccc(Cl)cc2)cs1 503504585 WPVXLEIFKJQQGW-NRFANRHFSA-N 445.931 5.928 30 20 IKED CCC[C@@H]1C[C@@H](C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)CCO1 504076080 JTRNIHMXDPCVRR-JKSUJKDBSA-N 437.487 5.158 30 20 IKED CC[C@@H](C)n1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccccc1 504320462 HOWLJYSZCHBVKJ-CQSZACIVSA-N 437.594 5.069 30 20 IKED CN(C)c1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c(F)c1 504392317 UGIVQSIWIICFCT-UHFFFAOYSA-N 448.445 5.082 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccc(F)c(F)c4)n3)n2)cc1 505716620 KELVXQOLFSCYGZ-HNNXBMFYSA-N 448.479 5.574 30 20 IKED Fc1ccc(OCc2noc(CN[C@@H](c3ccccc3C(F)(F)F)C(F)(F)F)n2)cc1 505844183 DSFPGONEQIXNFI-KRWDZBQOSA-N 449.326 5.200 30 20 IKED N#C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)c(Cl)c1 505971402 OXIFMCFRTKBVPC-QGZVFWFLSA-N 434.710 5.615 30 20 IKED C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC(Oc2ccc(C#N)cc2)CC1 507834014 ODAXFZQUZPEYRS-FQEVSTJZSA-N 425.532 5.096 30 20 IKED C=CCn1c(SCc2cc(Br)cc3cccnc23)nnc1-c1ccoc1C 507909977 UEYJEEIWZPCSIN-UHFFFAOYSA-N 441.354 5.636 30 20 IKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 509229357 YVVPVWQUHKZIMT-MRXNPFEDSA-N 428.517 6.185 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)C3(c4cccc(F)c4)CCOCC3)c2)cc1 512192199 AFNXIXDHXZHBHJ-UHFFFAOYSA-N 444.506 5.158 30 20 IKED Cc1nc(-c2ccccc2)c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)s1 515676325 GDWTXZLUFLUHAI-UHFFFAOYSA-N 438.512 5.495 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)C1CCN(c2nc3ccccc3o2)CC1 515690307 MZUVDUUJSJDFPJ-UHFFFAOYSA-N 428.517 5.283 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 515801332 CJKIFQBUUPEMLB-UHFFFAOYSA-N 443.591 5.322 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)O[C@@H](C)C2 517491998 HGUXZHHLHGDBAH-CUJLYAAOSA-N 445.346 5.200 30 20 IKED C[C@@H](Cc1ccc(Br)cc1)NC(=O)Nc1ccccc1S[C@H](C)CC#N 517529559 GZDGWBLEYJWOGI-LSDHHAIUSA-N 432.387 5.596 30 20 IKED C[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 518248449 HWILDRMVFSZEDI-INIZCTEOSA-N 433.895 5.162 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 518786709 VLAYGLRCVMAIFE-DNVCBOLYSA-N 432.014 5.914 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1OC 518917998 IFGSWINLZQUACL-XMMPIXPASA-N 442.515 5.539 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(N4CCCCCC4)nc3)cc2)cc1 519052449 ULWNFBIXPXVAQV-UHFFFAOYSA-N 441.535 5.448 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccccc1SC[C@@H](C)C#N)O[C@H](C)C2 519424899 IPPYXLXFKQXJSJ-WQDJSCAQSA-N 436.577 5.403 30 20 IKED N#C[C@H](C(=O)c1ccc(Br)c(F)c1)c1nc(-c2ccc(Cl)cc2)cs1 520910490 RCSNNFCNYHMHCR-CYBMUJFWSA-N 435.705 5.855 30 20 IKED CN1CCC(N(Cc2ccco2)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 523879646 XTRDMFSPWWIVFL-UHFFFAOYSA-N 449.938 5.334 30 20 IKED CCc1c(C)sc(NC(=O)CSc2nnc(-c3ccccc3)n2[C@@H](C)CC)c1C#N 524330775 CBMGMHNXJCPLOM-AWEZNQCLSA-N 439.610 5.451 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3c[nH]c4cc(F)ccc34)cc2Cl)c1 524389648 UDNWHNBDTHVHSD-UHFFFAOYSA-N 433.870 5.592 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1(c2ccccc2C)CCOCC1 524422064 XIXKYPHXOMZNDZ-UHFFFAOYSA-N 440.543 5.441 30 20 IKED N#Cc1cc(NC(=O)c2c3c(nc4ccccc24)CCN(Cc2ccccc2)C3)ccc1F 524458991 QBEMRTWNOZVBGQ-UHFFFAOYSA-N 436.490 5.056 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)c2)c1 524491162 ZOHHFLSLJQZFSO-UHFFFAOYSA-N 437.455 5.235 30 20 IKED CCc1cccc(C)c1Nc1nnc(SCc2nnc(-c3cccc(C#N)c3)o2)s1 525112312 NMBNRPAVAABLQQ-UHFFFAOYSA-N 434.550 5.367 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CN(CCC#N)CC(C)(C)C)cs1 535208202 UGEMYYPZWCLURJ-UHFFFAOYSA-N 438.519 5.608 30 20 IKED Cc1cc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)ccc1NC(=O)c1cccs1 535334124 UXGJHBFIFCBXDX-UHFFFAOYSA-N 437.524 5.356 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccccc2N2CCC(CO)CC2)cc1 535704932 NMPVJAKVSSKZBP-UHFFFAOYSA-N 441.531 5.120 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 537244452 WOYYCQLDCVGZTE-RPWUZVMVSA-N 449.457 5.589 30 20 IKED N#CC1(CCCN[C@H](c2ccccc2)c2ccc(Br)cc2F)CCOCC1 537508581 WNKPZVVJTRHOSE-OAQYLSRUSA-N 431.349 5.368 30 20 IKED C[C@@H](NC(=O)N[C@H](C)c1noc(-c2ccccc2)n1)c1ccc(-c2cccc(C#N)c2)cc1 541144247 AFBBQIPIXCVTQP-QZTJIDSGSA-N 437.503 5.397 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)c(C)c2c1 543002649 LKUORDZINMHBED-UHFFFAOYSA-N 446.894 5.226 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CN[C@H](C)c2sc(-c3ccccc3)nc2C)c1C 543518824 YUNKIQODKAYYFS-LJQANCHMSA-N 432.593 5.333 30 20 IKED CCN(CC)C(=O)CCC1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 543879943 GULVARAUDUESSX-UHFFFAOYSA-N 448.567 5.243 30 20 IKED COc1cc(CN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C2CC2)ccc1O 543944195 IQPPBBXQPHUXKW-SFHVURJKSA-N 441.531 5.375 30 20 IKED N#CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCc2ccccc2)CC1 549168806 WCBBGDMKTLUFJB-UHFFFAOYSA-N 438.000 5.206 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](c2ccccc2OC)C1 549666755 CHEARNSLTAJXHX-OALUTQOASA-N 436.531 5.136 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 550137527 FGFWSACIJHSBBK-UHFFFAOYSA-N 432.332 6.052 30 20 IKED C[C@H](NC(=O)Cc1c(F)cccc1C#N)c1nc(-c2ccc(Br)cc2)cs1 552331496 YJWGMFMIWBPUFA-LBPRGKRZSA-N 444.329 5.003 30 20 IKED CC1(C(=O)NC[C@H](c2ccccc2)C(F)(F)F)CCN(c2ccc(Cl)cc2C#N)CC1 553426240 AHUIXVODVNWUBN-LJQANCHMSA-N 449.904 5.280 30 20 IKED C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C2CCOCC2)CC1 580332575 CJKADBIUFBWXLJ-UHFFFAOYSA-N 433.021 5.053 30 20 IKED CN(C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 584641688 KIUYTKXZAZNORO-MSEWRSJXSA-N 444.457 5.395 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3SCc3ccco3)cn2)c1 603623982 RATDTUWQKSCUPQ-UHFFFAOYSA-N 427.485 5.883 30 20 IKED CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c2cccs2)cc1 603706210 NSTGBJHTLFWQOP-QHCPKHFHSA-N 445.588 5.517 30 20 IKED COc1ccc(F)cc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 603757580 BIHYNVPVBCLHEG-UHFFFAOYSA-N 435.402 5.024 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3ncc(-c4ccccc4F)o3)cn2)cc1 603765460 VHUBFBDLBYYGCV-UHFFFAOYSA-N 428.423 5.111 30 20 IKED CN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@@H]1CCCc2ccccc21 603828304 BGGLWSCGGFIOAB-AREMUKBSSA-N 425.532 5.873 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 604003760 VHUWDLRXFZNIII-UHFFFAOYSA-N 427.416 5.238 30 20 IKED Cn1c(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc2cc(C(F)(F)F)ccc21 608116888 UJFKYJJXRIDJRS-RYUDHWBXSA-N 446.313 5.400 30 20 IKED Cc1ccc(-c2nc(CCNC(=O)c3ccc(OCc4ccccc4C#N)cc3)co2)cc1 608817870 KJPPRVQPSZZXLA-UHFFFAOYSA-N 437.499 5.073 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1nnc(-c2ccccc2)o1 609060688 AZZBFYFMUDRTQK-UHFFFAOYSA-N 438.487 5.067 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCO[C@H](c4ccccc4)C3)cc2Cl)c1 609080881 WGVFOTXFHOTANA-DEOSSOPVSA-N 447.922 5.396 30 20 IKED CCCN(C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1cc(Cl)ccc1C#N 609285969 ICMLCESOJGGKMG-UHFFFAOYSA-N 441.922 5.516 30 20 IKED CCOc1c(Br)cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1OC 609377364 CQYFCXJXPXZDMV-ZDUSSCGKSA-N 449.370 5.360 30 20 IKED CC(C)CC(=O)Nc1cccc(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 609501950 KBFJJZZSONHONC-UHFFFAOYSA-N 441.531 5.460 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)c1 609504403 OIJCKQGAMHBVLE-UHFFFAOYSA-N 431.467 5.137 30 20 IKED Cc1nc2ccccc2n1Cc1cc(NC(=O)[C@H](C)Oc2ccccc2C#N)ccc1Cl 609507528 UJMCSGDTWIPQAP-INIZCTEOSA-N 444.922 5.324 30 20 IKED COC(=O)c1sc2cccc(F)c2c1CN1CCC(C(F)(F)F)(C(F)(F)F)C1 609767109 OGQOTWNEDKNAMO-UHFFFAOYSA-N 429.357 5.144 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2nnn(C3CC3)c2C(F)(F)F)cc1Cl 610396201 NSUBMTFYCSUXEX-MRXNPFEDSA-N 445.832 5.193 30 20 IKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(CN[C@@H](C)c2cccc(C#N)c2)cs1 611386603 PLXWGIMBWAIRAM-ZDUSSCGKSA-N 445.375 5.857 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)cc1 612302590 UJXZJRUNXQMYGG-XMMPIXPASA-N 445.494 5.156 30 20 IKED CSc1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)n1-c1ccccc1 613318355 YYKLOUJHBPPMEP-SFHVURJKSA-N 430.558 5.516 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(CSc4nccn4C)o3)n2)cc1 613319251 XECDXPCOVVQXLR-KRWDZBQOSA-N 434.546 5.227 30 20 IKED O=C(N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2cccc(F)c2)CCCCC1 619570661 QSEWHBCIBOOSGR-HUUCEWRRSA-N 425.388 5.617 30 20 IKED C=CCn1c(-c2cn(-c3ccccc3)nc2-c2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 619741898 NCGFWLQDJJWPHF-MHZLTWQESA-N 449.562 5.114 30 20 IKED CCOc1cc(CNCc2ccc(C#N)c(Cl)c2)cc(Br)c1OC(F)F 619749054 YQYAZDHMGDQRHK-UHFFFAOYSA-N 445.691 5.264 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2ccccc2F)nnc1-c1ccc(Cl)cc1 642037528 OTSPMBSTVKKQEE-OAHLLOKOSA-N 444.963 5.235 30 20 IKED COc1ccc(Br)c2[nH]c(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc12 642280837 HTUUKBMWNLOTAV-LLVKDONJSA-N 426.295 5.039 30 20 IKED N#C[C@H](C(=O)c1ccc2c(c1)NC(=O)CS2)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 642281600 SDCQCLTURLJSAB-MMRXCNNESA-N 449.601 5.145 30 20 IKED N#C[C@@H](C(=O)c1cnc(-c2cccnc2)s1)c1nc2cc(C(F)(F)F)ccc2s1 677790787 DAYQJAZWZFRKSL-LBPRGKRZSA-N 430.436 5.324 30 20 IKED Cc1c(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)ccc(C(F)(F)F)c1F 682437230 MXIIBJPMQMNJIY-UHFFFAOYSA-N 448.338 5.773 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(Br)cnc2Cl)cc1 725889390 KCJARZMGJCVLRN-UHFFFAOYSA-N 428.673 5.414 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)c1 727594264 BHQAIPBLBTXQQG-JOCHJYFZSA-N 443.588 5.285 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3cccc(OC4CCCC4)c3)n2)cc1 727955449 FGUSQHPZIBZULF-HSZRJFAPSA-N 441.556 5.812 30 20 IKED Cc1cc(C(=O)Nc2ccccc2COCc2ccccc2)c(C)n1-c1ccc(C#N)cc1 728267521 AHSPUSIXAWHPMF-UHFFFAOYSA-N 435.527 5.935 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 728477986 LEOWQUKKBWAUED-UHFFFAOYSA-N 443.462 5.278 30 20 IKED Cn1c([C@H](C#N)C(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)nc2ccccc21 730393824 CHAMMZBIGVCQKA-OAQYLSRUSA-N 429.907 5.225 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CCC2)c(C)c1 730458498 AEMJGXCDCUBLQH-HXUWFJFHSA-N 443.519 5.094 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1nc(-c3ccccc3)cs1)O[C@H](C)C2 730686761 JFISKUJLKAITDI-KYPFXXDHSA-N 444.556 5.512 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 730988917 FBJGVOKGPALARU-GAJHUEQPSA-N 442.540 5.645 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 731542086 SXORUNSMWYNKJL-KSFYIVLOSA-N 444.000 5.712 30 20 IKED N#CCOc1ccc(CC(=O)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)cc1 731973722 FOPKVLHTAACDOU-UHFFFAOYSA-N 428.275 5.264 30 20 IKED COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 732379511 KDTSJPONUSGLQW-GOSISDBHSA-N 444.487 5.046 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 732434875 HUZHZCJNBNSEJU-UHFFFAOYSA-N 427.570 5.261 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1cccc(OC(F)(F)F)c1 733079503 FIVFSEHWMBYIGQ-UHFFFAOYSA-N 441.335 5.292 30 20 IKED C#CCN(C(=S)Nc1cccc(C(C)C)c1)[C@H]1CCOc2ccc(Br)cc21 733087877 YXHXSBUGKYASJV-FQEVSTJZSA-N 443.410 5.728 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccccc2)[C@@H](C)c2cccs2)c1 733805469 UENKLYUOARWFPN-UGKGYDQZSA-N 433.577 5.902 30 20 IKED N#CCSc1ccccc1C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 733991739 PDZUVNOHYIIZHZ-UHFFFAOYSA-N 429.423 5.761 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1nc2ccccc2s1 734207265 PCTGRDLRDBPAAG-INIZCTEOSA-N 428.517 6.151 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(Cc3ccccc3F)n2)cc1 735592542 ASEIOJCXMXTDKV-BEFAXECRSA-N 435.524 5.348 30 20 IKED CSCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1 735970178 WXOHUMGEIJQMNT-GOSISDBHSA-N 448.013 5.053 30 20 IKED CC(=O)C1=C(c2ccc(C)cc2)N(Cc2cccs2)C(=O)N[C@H]1c1sc(C)nc1C 736539424 RWWHCRANGUXNQM-HXUWFJFHSA-N 437.590 5.397 30 20 IKED N#C[C@H](C(=O)CCCOc1cccc(Cl)c1Cl)c1nc(-c2ccccc2)cs1 743447997 ZOSWMRBYOUUDHG-OAHLLOKOSA-N 431.344 6.152 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)N[C@@H](C)c1cc2ccccc2o1 743475677 WNTDXGSOMBBUEI-OALUTQOASA-N 439.515 5.561 30 20 IKED CCCOc1c(Cl)cc(C=NO[C@H](C)c2nc(-c3ccccc3C)no2)cc1OCC 744445498 QGMKHNRJRKRFEM-MRXNPFEDSA-N 443.931 5.998 30 20 IKED CCCN(C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H]1CCc2ccccc21 747001160 JEYHNKNDMYYHME-IZZNHLLZSA-N 437.543 5.207 30 20 IKED COc1ccc(/C=C2\SC(=S)N([C@@H]3CCCC[C@H]3C)C2=O)cc1OCCCC#N 747473141 UBRNKPDMWYRLCG-SZFUYVMFSA-N 430.595 5.158 30 20 IKED Cc1nn(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)c1Cl 750397039 JRMPCRDHZUJORE-ZDUSSCGKSA-N 439.755 5.460 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)cc1 752340408 RSKKLBRHSNYPJJ-ICSRJNTNSA-N 449.551 5.034 30 20 IKED CCOc1cc(/C=C/C(=O)c2coc(C(C)C)n2)ccc1OCC(=O)Nc1ccccc1 752888644 NPAVGEJGCQNZLD-ZRDIBKRKSA-N 434.492 5.110 30 20 IKED Cc1ccc(-c2nc(C=Nn3c(S)nnc3Cc3cccc4ccccc34)co2)cc1 755524832 NCLCAQXXAROUGO-UHFFFAOYSA-N 425.517 5.156 30 20 IKED CCOC(=O)c1sc([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nc1C 757197114 GUEMRFMDVWEOAC-UZLBHIALSA-N 448.548 5.166 30 20 IKED COC(=O)Nc1cc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc(C(F)(F)F)c1 763366621 AYTZODUXTIHLKF-AWEZNQCLSA-N 446.212 5.185 30 20 IKED C[C@H]1CCCCN1CCC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 764052821 NFKYMAILCKPZHF-WXVAWEFUSA-N 444.623 5.850 30 20 IKED COc1cccc(Cn2ccc3ccc(NC(=O)c4ccccc4SCC#N)cc32)c1 765318170 CSAADWGRDRORKU-UHFFFAOYSA-N 427.529 5.566 30 20 IKED CC1(c2cccc(Br)c2)CCN(C(=O)c2ccccc2SCC#N)CC1 769119850 FQWOYCMIIKTZOL-UHFFFAOYSA-N 429.383 5.259 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(Cc2ccccc2)[C@@H](C)C(C)(C)C)ccc1OC 769507630 DJEPTLIFLZOQLA-UGKGYDQZSA-N 437.584 5.523 30 20 IKED Cn1ccnc1C(=O)[C@@H](C#N)C(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1 770870878 FYVMDPWRMAOLND-INIZCTEOSA-N 444.343 5.225 30 20 IKED N#C[C@@H](C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2)c1ccccn1 779197543 WUPLZKGUYHRSKT-FRIPYBJASA-N 430.392 5.380 30 20 IKED CC(C)[C@@H]1C[C@H](CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CCO1 781783907 XWFOCFAMVQRDPM-RISOHXOYSA-N 437.392 6.134 30 20 IKED N#CCOc1cccc(CC(=O)N[C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)c1 784637335 HVXSDYWNLQSWHL-QHCPKHFHSA-N 425.315 5.344 30 20 IKED C#CC[C@@H](OC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccccn1 786944111 AYIJXMVWFOUCGY-GOSISDBHSA-N 430.291 5.069 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccsc2)N(CC2(C3CC3)CC2)C1=O)Nc1ccccc1F 790741786 IRFOWXXUVWPFLP-SFHVURJKSA-N 443.569 5.038 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(C(F)(F)F)cnc3Cl)cc2)c1 790904835 ZWCXJARMLQPQHI-UHFFFAOYSA-N 431.801 5.457 30 20 IKED N#Cc1ccc(C[C@@H](C#N)C(=O)NCCCN2c3ccccc3Sc3ccccc32)cc1 792052009 FFNKEISFGCECII-NRFANRHFSA-N 438.556 5.050 30 20 IKED N#Cc1ccc(C[C@@H](C#N)C(=O)OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 795818723 ZIUFZISTRBEMCE-KRWDZBQOSA-N 441.434 5.126 30 20 IKED COc1ccc(-c2cc(N[C@H]3CCN(c4ccc(C#N)cc4)C3=O)ccc2OC(F)F)cc1 797853810 MRCZRTFELYFXFQ-QFIPXVFZSA-N 449.457 5.053 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 802041034 OBZYLRIHGKIQTH-SWLSCSKDSA-N 433.188 5.370 30 20 IKED O=C(c1cc(F)c(C(F)(F)F)cc1F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 804285463 COGPVZDAHXULKQ-BQBZGAKWSA-N 429.229 5.187 30 20 IKED C=C(CNC(=O)c1ccccc1NC(=O)c1ccccc1Br)c1ccccc1 813622072 KHPJVZONPTXEDZ-UHFFFAOYSA-N 435.321 5.145 30 20 IKED N#CC[C@@H](CC(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccccc1 814245955 PFRBKECLLFDNHE-DEOSSOPVSA-N 438.571 5.249 30 20 IKED N#CCOc1ccc(/C=C2/SC(=S)N(c3ccc(SC(F)F)cc3)C2=O)cc1 814282869 GPANEVMHLZSHQO-LFIBNONCSA-N 434.514 5.309 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(-c2ccccc2)cc1)[n+]1ccc(CCC)cc1 839407600 WZCBSXXVIZCLKJ-UHFFFAOYSA-O 429.609 5.971 30 20 IKED N#Cc1ccc(Oc2ccc(-c3nc(-c4sccc4Br)no3)cc2)nc1 904888636 NTMCWJVRARRRPW-UHFFFAOYSA-N 425.267 5.287 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1nc2ccccc2s1 915098169 JLXCKDWRJMOUIG-AWEZNQCLSA-N 442.327 6.067 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(C2CC2)C1=O)Nc1cccc2ccccc12 916209635 PHRJVTXCUBZYFC-NRFANRHFSA-N 433.508 5.102 30 20 IKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C(F)(F)F)c1 916216962 ABIKRUVKJGWQFP-KRWDZBQOSA-N 435.471 5.076 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3cccs3)nc3ccccc23)cc1 916828896 ZULRONLJLBOSLL-UHFFFAOYSA-N 427.529 5.922 30 20 IKED CC(C)(C)c1ccc(/C=C\C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 916846758 DWHIMVBZKNTWTG-ADYSOMBNSA-N 431.561 5.463 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(C2SCCS2)cc1 916927206 FYYQEYVWEVKZDF-AWEZNQCLSA-N 437.373 5.433 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCc3nnc(-c4ccccc4)o3)n2)cc1 916975358 YNBWBIYNLBKJQW-LJQANCHMSA-N 428.517 5.368 30 20 IKED C=CCn1c(SCC(=O)N(C)c2ccc(C)cc2C)nnc1-c1ccc(Cl)cc1 917814787 OTOGSKSSRPOVAE-UHFFFAOYSA-N 426.973 5.156 30 20 IKED Cc1nc(SCC(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)c2c(C)c(C)sc2n1 920106588 TXEZWPBVLUCBAB-MRXNPFEDSA-N 448.573 5.090 30 20 IKED C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920143328 VRHNSDGZZGTUCT-WBMJQRKESA-N 442.327 5.632 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ccc(Cl)cc2)cs1 920356722 OWBIISYGYLJYMR-UHFFFAOYSA-N 438.862 5.946 30 20 IKED Cc1csc([C@H](C#N)C(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)n1 921250579 XFGGREPWMRLPQA-GOSISDBHSA-N 434.521 5.169 30 20 IKED CC(C)(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)C#N)cc3)CCC2)cc1 1785936507 OWUVYXOQCKRLHQ-UHFFFAOYSA-N 433.552 5.161 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CCc3ncccc3C)CCC2)cc1 1786102431 NHWIJVKFBUUNCY-UHFFFAOYSA-N 431.580 5.225 30 20 IKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cccc4c3oc3ccccc34)cc2)CCC1 1791008664 UDCSPQKIJBTLKF-MRXNPFEDSA-N 444.556 5.652 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)c(Cl)c3)cc2)CCC1 1792142901 OOPQTROPEVOXPX-UHFFFAOYSA-N 448.897 5.308 30 20 IKED C[C@@]1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)CC1(F)F 1792248104 IILNZPDLPRXJTF-NRFANRHFSA-N 443.881 5.005 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccc(F)cc3)CCC2)cc1 1792265286 KCGUOFJCHFCPLB-UHFFFAOYSA-N 441.506 5.049 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C(C)=C/c2ccc(C)o2)CC1 1823751957 FNONDACFQHLARF-RLRPEEDVSA-N 440.628 5.603 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccncc2-c2ccccc2)CC1 1829490814 FRBSMTVSTIZDPR-LVXARBLLSA-N 445.607 5.194 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 10972247 KZUWNBAPMBMYOS-CYBMUJFWSA-N 431.439 5.030 30 20 IKED Cc1nc(-c2ccccc2)c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)s1 15604177 QWPUFHNJIKIAPH-UHFFFAOYSA-N 449.586 5.386 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2nc3ccccc3o2)n(Cc2ccc(F)cc2)c1C 16579788 PNJUYRAGQVAAHG-UHFFFAOYSA-N 434.496 5.036 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2cccc(CO)c2)s1 22693388 CHLTUHMRGFMTNS-UHFFFAOYSA-O 433.578 5.040 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2c(C)cccc2C)cc1 23603133 VTEMYLMFVUUSOI-UHFFFAOYSA-O 448.656 6.490 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(CC(C)C)cc2)cs1)c1ccc(F)cc1F 24341946 LKUFYGPNHOQRFX-PKNBQFBNSA-N 440.515 6.201 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 63390375 NNRKIHOKWZJQPS-UHFFFAOYSA-N 436.493 5.129 30 20 IKED CCN(CC)c1nc2sc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cc2s1 195727836 XNHOFFTXVALGAP-NSHDSACASA-N 445.520 5.439 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CNCc2ccc(C#N)cc2F)cs1 236729952 RGKALTPARPQXFD-UHFFFAOYSA-N 448.445 5.147 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)cc1 302991378 MMLCDAVFWXEYNL-UHFFFAOYSA-N 430.360 6.099 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCC2(c3cccc(F)c3)CC2)cc1 303849123 RMDIOBZKDHYCBZ-UHFFFAOYSA-N 429.495 5.324 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C3(c4cncc(Br)c4)CC3)c2)cc1 409649344 CPUHFWHEFBQZOH-UHFFFAOYSA-N 434.293 5.178 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 410274531 FEFXODBYYVSRNY-FQEVSTJZSA-N 442.588 5.262 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 432854466 XVXCOGCFIYBHEB-QHCPKHFHSA-N 440.503 5.916 30 20 IKED N#CCCC[C@H](NC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1)c1ccccc1 433130339 HLQDVHRUGNPARQ-NRFANRHFSA-N 447.926 5.544 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2 433406645 QWNWHGPCBWAJOR-BANKROOTSA-N 429.404 5.322 30 20 IKED N#CCC[C@H](NC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccccc1 436383675 FKUSWBUMSNEMQS-ZWKOTPCHSA-N 443.391 6.043 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)NCc2cc(C#N)ccc2F)c(C(F)(F)F)c1 438196525 DDFPSQVXIVUNRY-LBPRGKRZSA-N 425.451 5.928 30 20 IKED Cc1ccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1OCC1CCOCC1 438260286 NUPVJOIWNQWDHQ-ZEQRLZLVSA-N 433.552 5.104 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(N3CCC3=O)c2)cc1Cl 440940128 WYWUKWUNZZYELW-QFIPXVFZSA-N 444.922 5.054 30 20 IKED C=CCN(C(=O)[C@H](C)c1ccc(Br)s1)c1nc(-c2ccccc2)cs1 443818216 TWRQJLGGVBYSRC-CYBMUJFWSA-N 433.396 5.957 30 20 IKED CCCc1c(NC(=O)c2cn(CCCC#N)c3ccccc23)cnn1-c1cccc(C#N)c1 444278085 AFEPAJNCOMQYAS-UHFFFAOYSA-N 436.519 5.207 30 20 IKED C=CC[C@H]1N(C(=O)CCc2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)CCCC1(C)C 444648576 YNJTYHIXXNYICI-CRAIPNDOSA-N 427.614 5.048 30 20 IKED N#CCCCC[S@](=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 447118713 HEQPXFWVPPNWIA-MHZLTWQESA-N 442.382 5.244 30 20 IKED CO[C@@H](C)c1nc(CN2CCCN(c3c(C#N)cnc4ccc(C(C)C)cc34)CC2)cs1 447686829 RRFHIWZICZQVHI-SFHVURJKSA-N 449.624 5.106 30 20 IKED COCc1ccc([C@@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)o1 461480571 NTAIEOBFHDECAA-NRFANRHFSA-N 445.548 5.007 30 20 IKED C=CCn1c(SCc2ccccc2OCC(F)(F)F)nnc1-c1ccccc1OC 463047151 FRSFZJIFSJGDES-UHFFFAOYSA-N 435.471 5.373 30 20 IKED COc1ccc(CNCc2nc3c(s2)C[C@H](c2ccccc2)CC3)cc1OCCCC#N 466469439 SWIJAEZOEWSYPR-OAQYLSRUSA-N 447.604 5.397 30 20 IKED Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 467168651 JPWQDSXSVKUKKR-SFHVURJKSA-N 445.567 5.474 30 20 IKED C[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc2ccccc12 470542422 HGVOGOIHOJQWJQ-GOSISDBHSA-N 426.520 5.305 30 20 IKED C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1NC(=O)Nc1ccccc1S[C@H](C)CC#N 473821718 GIKOZIZQNPFJAM-ZSTWQFLISA-N 436.625 5.359 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc2ncsc2c1 475799595 SZDSAZXDJFDBIB-UHFFFAOYSA-N 437.521 5.011 30 20 IKED C=C(C)Cn1c(SCC(=O)N2CC[C@@H](C)C[C@H]2c2ccc(C)o2)nnc1-c1ccco1 482495614 JVTBBSXRMVTVSF-AEFFLSMTSA-N 440.569 5.108 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)CC3(C(F)(F)F)CC3)s2)c(C(F)(F)F)c1 483645123 NLMPVADRWRDXRZ-UHFFFAOYSA-N 433.377 5.295 30 20 IKED Cc1c([C@@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C(C)C)oc2ccccc12 483828800 IZKYPACWUDFGGH-DEOSSOPVSA-N 432.568 5.083 30 20 IKED O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1cccc(CO)c1 487033063 LSTKNADAXMPLMK-AWEZNQCLSA-N 445.281 5.250 30 20 IKED Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 489297633 UFKSPFKUWAOFRP-UHFFFAOYSA-N 435.896 5.113 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cccc(Oc4ccncc4)c3)c2)cc1 492489000 LXJVLWOIINQDGN-UHFFFAOYSA-N 435.483 5.771 30 20 IKED N#Cc1ccccc1-c1ccc(CS(=O)(=O)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 494683755 BNCJHLUQOUPIJJ-UHFFFAOYSA-N 449.919 5.044 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CC(C4CCCC4)C3)s2)c(C(F)(F)F)c1 496368484 YWLULCBSXJXMBP-UHFFFAOYSA-N 434.487 5.278 30 20 IKED Cc1cc(C)c(C(=O)CCCC(=O)N[C@H](C#N)c2ccc(Br)cc2)c(C)c1 499410129 YYEQGRUALOBIAV-LJQANCHMSA-N 427.342 5.108 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccc(-c2ccc3c(c2)C[C@H](C)O3)cc1 500416966 YLYBIHIQCGVSEW-IBGZPJMESA-N 446.547 5.050 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1 502677728 GXBAYBKGUSJEJE-UHFFFAOYSA-N 434.506 5.302 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NCCCc3nc(-c4ccncc4)cs3)c2)cc1 503122878 YRKDAWYFHSJQKB-UHFFFAOYSA-N 440.528 5.232 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccccc2OCc2cscn2)cc1 503502985 HFQGTFVFRFLWMN-UHFFFAOYSA-N 441.512 5.425 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OCc2ccccc2)c(OC)c1 503822041 XEYNNEHAWRYIHS-UHFFFAOYSA-N 443.547 5.268 30 20 IKED Cc1noc(C)c1COc1ccc(CC(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1 505923177 QSZRURUWINMYSS-OAQYLSRUSA-N 444.318 5.101 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCC(=O)Nc1cccc2ccccc12 506635070 OVMSPWYDNVPIFP-UHFFFAOYSA-N 437.524 5.231 30 20 IKED CCc1cccc2c1OCC[C@H]2NC(=O)c1ccccc1SCc1ccc(C#N)cc1 507005129 QKZTXCIJYLZPBA-HSZRJFAPSA-N 428.557 5.667 30 20 IKED CCCn1nccc1C1CCN(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 507384590 WGEROLPNZXNAOZ-HXUWFJFHSA-N 441.579 5.482 30 20 IKED C[C@H](SCCCC1(C#N)CCOCC1)c1nc(-c2cccc(C(F)(F)F)c2)no1 508575818 FYPZCDFNLUFPKF-AWEZNQCLSA-N 425.476 5.650 30 20 IKED C=CCn1c(CSc2ccccc2OC)nnc1N1CCC(OC2CCCCC2)CC1 508795197 MYRAWLRUPVADKR-UHFFFAOYSA-N 442.629 5.083 30 20 IKED C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC(c2ncc(C)s2)CC1 508802443 QMBMQHDUSNOBPI-UHFFFAOYSA-N 444.402 5.043 30 20 IKED Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 509655514 CWSHRFXGVSEAPJ-UHFFFAOYSA-N 426.451 5.545 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3ccc(Br)s3)cc2F)c1 510868530 UAAYGPDVLYMKPU-UHFFFAOYSA-N 445.313 5.282 30 20 IKED C=CCc1cc(CNC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)cc(OC)c1OC 510996434 AUMVBQUHYYKICR-GOSISDBHSA-N 440.437 5.064 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N(Cc3cccc(F)c3)C3CC3)c2)c1 511536517 DYAIFROQAZQAKN-UHFFFAOYSA-N 428.467 5.146 30 20 IKED Cc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 516737343 SFGMHWDIGXINBK-IBGZPJMESA-N 427.504 5.126 30 20 IKED N#Cc1ccc(N2CCN(C(=O)Nc3cc(Cl)ccc3Sc3ccccc3)CC2)nc1 517310286 PRSUJYDBYBHQST-UHFFFAOYSA-N 449.967 5.112 30 20 IKED Cc1c(NC(=O)CCCCOc2cccc(C#N)c2)cccc1NC(=O)c1ccccc1 518376302 RXKXGMGFNVIDTA-UHFFFAOYSA-N 427.504 5.307 30 20 IKED N#CCCCOc1cccc(NC(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)c1 518539313 IZUCOQBFGDKQJZ-UHFFFAOYSA-N 434.923 5.783 30 20 IKED CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1Cl 518903621 LGBPZKZSCMKJJW-UHFFFAOYSA-N 448.910 5.133 30 20 IKED COCCN(CCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 519913269 PHFJORYMYBDSNY-UHFFFAOYSA-N 429.520 5.382 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3c3ccccc3)cc2)cc1 520005746 XOEJVZNJPZEEKM-JWQCQUIFSA-N 439.515 5.132 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc4oc5ccccc5c4c3)CC2)c1 522196255 LBJMDFGQFRUWOC-UHFFFAOYSA-N 438.487 5.340 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc(/C=C/c3ccccc3)cs2)c1 522685870 AIBLCKLURUAZDB-MDZDMXLPSA-N 427.485 5.609 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2ncc(-c3ccccc3)[nH]2)c1 523948023 HRDMDCNOOJIKMT-UHFFFAOYSA-N 428.879 5.324 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N(Cc3ccc(Cl)cc3)C3CC3)c2)cc1 524096533 PCAFLKVFUHQWNI-UHFFFAOYSA-N 445.906 5.134 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCc2[nH]c3ccccc3c2C1 524439616 AWCFXXPTWBERRB-UHFFFAOYSA-N 436.515 5.517 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 524565287 OEKBZEZNTSJGCU-RBUKOAKNSA-N 446.576 5.795 30 20 IKED COc1ccc(Oc2ccc(NC(=O)c3cc(C4CC4)nc(SC)c3C#N)cn2)cc1 525099382 DJVGRIGVIJIVOG-UHFFFAOYSA-N 432.505 5.001 30 20 IKED N#C[C@@H](C(=O)c1cccnc1OCC(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1 536715550 OXNXRVGRSOIBNX-AWEZNQCLSA-N 437.830 5.290 30 20 IKED C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nnc1SCC1(C#N)CC1 537557306 KBGFGDJGOQDVTK-XSLAGTTESA-N 426.561 5.389 30 20 IKED Cc1nc(O)c(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1-c1ccccc1 542990303 PWVISKUODBGNCN-GOSISDBHSA-N 433.511 5.792 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3csc(-c4ccc(Cl)cc4)n3)CC2)c(F)c1 557121660 ORHZZPCCPMNNNH-UHFFFAOYSA-N 441.915 5.158 30 20 IKED Cc1c(C(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)sc2ccc(C#N)cc12 569913110 UPHMQPXCTULHGZ-UHFFFAOYSA-N 446.553 5.308 30 20 IKED CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 574934929 NINVSTZAAQUFLN-OAQYLSRUSA-N 448.910 5.610 30 20 IKED N#Cc1ccc(NC(=O)c2cc(Cl)cc(F)c2Br)cc1Br 589010410 AVEQWXKBWWEWIZ-UHFFFAOYSA-N 432.474 5.128 30 20 IKED CCO[C@H](c1noc([C@H](C)Oc2ccc(C#N)cc2)n1)c1ccc(F)cc1C(F)(F)F 589155420 VVUPBFJICNTNJE-SGTLLEGYSA-N 435.377 5.365 30 20 IKED CCOC(=O)c1sc(NC(=O)c2sc3cccc(Cl)c3c2Cl)c(C#N)c1C 603484055 FWABZHWDBJJJAD-UHFFFAOYSA-N 439.345 5.879 30 20 IKED C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C2CC2)o1 603692047 PQXQNXPYGBLTKJ-ZHRRBRCNSA-N 428.492 5.658 30 20 IKED Cc1cccc([C@H](CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)NC(N)=O)c1 604027181 MBRLISOEIJHSFZ-NRFANRHFSA-N 448.910 5.051 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)o1 604244033 ZPKAHLTWDGGPDX-HXUWFJFHSA-N 425.488 5.231 30 20 IKED COc1cccc2c1OCC[C@H]2NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 608785144 YVPPBCDUPGDWAY-IFMALSPDSA-N 447.922 5.649 30 20 IKED N#CCc1ccc(NC(=O)N2CCN([C@@H](c3ccccc3)c3ccccc3Cl)CC2)cc1 608862540 FARFMPOWKXLGDX-VWLOTQADSA-N 444.966 5.345 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](Oc1ccccc1C#N)C(C)C 609060373 BJWVORZLUQJPKF-AREMUKBSSA-N 439.515 5.359 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(C)n(CC(F)(F)F)c1C 609072363 JZOSVJUGLUFZRZ-UHFFFAOYSA-N 441.453 5.679 30 20 IKED CCCN(C(=O)Cc1csc(COc2ccc(C)cc2)n1)c1cc(Cl)ccc1C#N 609286558 RTMDPNKYKZPHKY-UHFFFAOYSA-N 439.968 5.541 30 20 IKED N#C[C@@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccccc1Br 609590747 FGFPBTAFLZLFSH-QGZVFWFLSA-N 444.716 5.071 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)c(Cl)c1 611094325 GSIDELBBMXTNHS-LJAQVGFWSA-N 443.355 5.566 30 20 IKED CC(=O)Nc1cccc2c1CCN(C(=O)N[C@H](C)c1ccc(-c3cccc(C#N)c3)cc1)C2 611855351 VILFAZXSBDTBQA-GOSISDBHSA-N 438.531 5.013 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)s2)o1 613403278 CGXQDKNEDADRFK-LBPRGKRZSA-N 447.463 6.139 30 20 IKED C=CCN1C(=O)c2ccccc2N[C@H]1c1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 614429559 JUVCXKQTLHOXIE-JOCHJYFZSA-N 432.549 5.197 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 619836123 JEDRPPQSFHGFPC-SANMLTNESA-N 427.552 5.230 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCOC[C@H]2c2c(C)nn(-c3ccccc3)c2C)c1 679426258 GLHCOTZUFFYECM-DEOSSOPVSA-N 446.551 5.049 30 20 IKED Cc1csc([C@H](C#N)C(=O)CCCCCc2ccc(I)cc2)n1 726858948 RGFOKVYJILHVAR-MRXNPFEDSA-N 438.334 5.036 30 20 IKED CCOc1cc(/C=C2\CCc3sccc3C2=O)ccc1OCC(=O)N(C(C)C)C(C)C 726890209 DTWQKZWREXDEIT-CPNJWEJPSA-N 441.593 5.384 30 20 IKED CC[C@H](C)c1ccc([C@@H](NC(=O)NCc2ccc(OCC#N)cc2)c2cccs2)cc1 727844739 JSEMAUSZDGVGGY-MHECFPHRSA-N 433.577 5.753 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c1 729889365 ODGOHKIRMSWEMD-LBPRGKRZSA-N 437.735 6.131 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2c(ccc3ccccc32)[nH]1 731062151 AIEKJTLKOQDASL-MRXNPFEDSA-N 443.528 5.511 30 20 IKED C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)/C=C\c1ccccc1Br 731341005 XYXPZALUKAIYRI-YBEMTRGBSA-N 437.384 5.256 30 20 IKED C#CCN(C(=O)Nc1cccc(C(F)F)c1)[C@H]1CCOc2ccc(Br)cc21 733631912 NJXRMAWEEVJOMT-KRWDZBQOSA-N 435.268 5.378 30 20 IKED C=CC[C@H](NC(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccncc1 734661414 MHSYBGIMSIYEDZ-HXOBKFHXSA-N 432.499 5.151 30 20 IKED COc1cc(COC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)ccc1OCc1cccc(C#N)c1 735134638 QQOOBYHGJDMPJQ-PMACEKPBSA-N 447.453 5.558 30 20 IKED O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(S(=O)(=O)C(F)F)cc1 735232223 JPBQUYIZUWBNLC-YRNVUSSQSA-N 449.456 5.216 30 20 IKED COc1cc(COC(=O)C[C@H]2CCOc3ccccc32)ccc1OCc1cccc(C#N)c1 735541077 KMLTZQZSISJISL-JOCHJYFZSA-N 443.499 5.145 30 20 IKED FC(F)(F)c1cc(=NN=Cc2c(Cl)ccc(Cl)c2Cl)nc(-c2ccncc2)[nH]1 735977097 VUKACKBVPSVFTB-UHFFFAOYSA-N 446.647 5.386 30 20 IKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 739594735 PKJWXFDOUMZRRA-HNNXBMFYSA-N 435.574 5.042 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NC[C@@H](O)c2c(F)cccc2Cl)c1 741300286 YGAAFCUGYSCMAD-LJQANCHMSA-N 445.277 5.260 30 20 IKED COc1ccc(Br)cc1/C=C/C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 741446918 CBOUCDJNPOCUTQ-XYOKQWHBSA-N 449.366 5.070 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2nc(C(F)(F)F)cs2)cc1 743098266 ZJMCGIMDWVZJCC-QGZVFWFLSA-N 430.455 5.182 30 20 IKED CON=Cc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)cc1 744060641 PTCJFJMDUYTMRY-UHFFFAOYSA-N 447.922 5.052 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)COc2ccc3cc(Br)ccc3c2)n1 747199148 QKQWEKWMUPYIDN-KRWDZBQOSA-N 429.339 5.437 30 20 IKED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)/C=C\c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc12 750726219 ZZRVTQPAMYAIPE-SFAKSCPVSA-N 438.331 5.194 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)CCc2cc(Cl)ccc2Br)c1 750839607 FHXHMMMUGLWWGJ-KRWDZBQOSA-N 435.749 5.032 30 20 IKED COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)Nc2ccccc2O[C@@H](C)C#N)c1 752807038 RMOCCPQMGHHPSS-RQADYFSKSA-N 441.531 5.749 30 20 IKED O=C(Nc1ccc(NC(=O)C(F)(F)c2c(F)cccc2F)c(C(F)(F)F)c1)C1CC1 757929325 VPGGVBNVMZSYFO-UHFFFAOYSA-N 434.311 5.063 30 20 IKED O=C1/C(=C\c2nc(Cl)cs2)CN(Cc2ccccc2)C/C1=C/c1nc(Cl)cs1 759071116 FEZXZBBPTGQAJB-LRSUZXNRSA-N 448.400 5.458 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2 760797302 HVZSXLOPSDYHRK-PEZBUJJGSA-N 439.446 5.608 30 20 IKED COc1ccc2c(c1)OC[C@H]2CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 760968014 GZIFPVDEBNPUFN-ABAIWWIYSA-N 432.423 5.066 30 20 IKED CC[C@H](C#N)Oc1cc(CNC2CC(c3cccc(Br)c3)C2)ccc1OC 762608614 CKNXVIWOLWPRDJ-LYBXBRPPSA-N 429.358 5.174 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CCCC[C@H]2c2ccccc2OC)c1=S 764974496 CBJBZMNYNZNLAE-NRFANRHFSA-N 435.597 5.245 30 20 IKED C=CC[C@@H](N[C@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1)c1ccncc1 766020908 QWNWTWPXOMFSLZ-NTKDMRAZSA-N 427.614 5.051 30 20 IKED COc1ccc([C@H](OC)[C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 772236842 JYVWXATVMDONFO-ZYKLXPEUSA-N 429.520 5.248 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)OC[C@@H](C#N)Cc1cccs1 772737460 QJYPSZTYVQBNMP-CQSZACIVSA-N 428.510 5.049 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(O)(Cc3ccc(F)cc3)CC2)cc1 775488578 OQYLODLYWNJXMB-VWLOTQADSA-N 443.522 5.083 30 20 IKED COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SCCCCC#N)cc1Cl 776039805 AGZAFBHBLCIOBA-GHRIWEEISA-N 431.970 5.581 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1coc(-c2ccccc2Cl)n1 776545919 MWYMDLHZTJTIMX-UHFFFAOYSA-N 437.670 5.323 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)O[C@@H]([C@H]2CCOC2)C(F)(F)F)c1 778043810 XBCNDSUIAGKZNF-UGSOOPFHSA-N 425.790 5.128 30 20 IKED COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1 780318148 FOOOIDKPFNRKHL-JOCHJYFZSA-N 448.482 5.108 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1CC=CC1 787106897 GWTZUPHRCWZTDO-UHFFFAOYSA-N 444.187 5.235 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@H](C#N)c1nccc2ccccc12 792102900 IQABYVNCPQTCKG-FOIQADDNSA-N 447.947 6.041 30 20 IKED C[C@@H](OC(=O)C[C@@H](CC#N)c1ccccc1)C(=O)N1c2ccccc2Sc2ccccc21 795982400 HPSKCFIVIJAJCN-UYAOXDASSA-N 442.540 5.835 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)c(C(F)(F)F)c1 796646915 KWHQIWSUDARPDO-INIZCTEOSA-N 447.457 6.078 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccccc2)s1 797571971 SKCPLHRJBJHJJO-NMLBUPMWSA-N 435.593 5.090 30 20 IKED COC(=O)C[C@](C)(NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(F)c1 806200602 IJRIRXSOCVOTCX-BVAGGSTKSA-N 445.494 5.081 30 20 IKED C#CCN(Cc1ccccc1)C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 806228882 NVQRUGVGLIRYBW-UHFFFAOYSA-N 431.923 5.284 30 20 IKED COc1ccc(/C=C2\N=C(SCC3(C#N)CCCC3)N(c3cccc(OC)c3)C2=O)cc1 806581866 CAKNEPQPCJONTF-HMAPJEAMSA-N 447.560 5.265 30 20 IKED C#C[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F)c1ccc(F)cc1 812315704 YNTGHTYHMVXLTE-GOSISDBHSA-N 445.372 5.186 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2conc2Cc2ccccc2)c1 814776297 RJUUNUJWIDJFCA-UHFFFAOYSA-N 447.564 5.039 30 20 IKED C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915180246 MQAIBIMYVUNKQT-GAJHUEQPSA-N 447.535 5.180 30 20 IKED CCCCCCNC(=O)[C@@H](C#N)C(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C 916874845 LNOAPLTYTNKDRW-INIZCTEOSA-N 437.487 5.156 30 20 IKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)sc2C)cc1 916937111 BHHUAQHHCDIORM-QGZVFWFLSA-N 442.899 5.486 30 20 IKED COc1ccc(OC)c(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 916997508 VFTGSHNVDGZYQS-MRXNPFEDSA-N 447.343 5.553 30 20 IKED N#C[C@@H](C(=O)/C=C\c1cc(Br)ccc1F)c1nc2cc(Cl)ccc2s1 917045423 ZMVXNBHMCSQAKA-RBVVKQATSA-N 435.705 5.741 30 20 IKED N#Cc1ccccc1NC(=S)N(Cc1ccsc1)c1ccc(Br)cc1 917584857 XNYNCFKLKKHYKC-UHFFFAOYSA-N 428.380 5.786 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2csc3ccccc23)cc1 917683056 QNVKTZWMSCEAJH-NRFANRHFSA-N 449.601 5.010 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)cc1 920234997 PGOJPRMBAVWSAR-LGPLSSKUSA-N 425.532 5.631 30 20 IKED Sc1nnc(-c2cccc(Br)c2)n1N=Cc1csc(-c2ccsc2)n1 920369970 RMLXVOCBNAVYRL-UHFFFAOYSA-N 448.396 5.064 30 20 IKED N#C[C@@H](C(=O)c1ccc(C2SCCS2)cc1)c1nc(-c2c(F)cccc2F)cs1 920804316 PIKYFONPODJOPQ-AWEZNQCLSA-N 444.553 6.057 30 20 IKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cccc4c3oc3ccccc34)CCC2)cc1 1787888841 GNGKOHQXXBYWGP-UHFFFAOYSA-N 437.499 5.637 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccc4[nH]ncc34)cc2)CCC1 1788439527 VDFSMGYDHVFWPX-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnc(Cl)s3)CCC2)cc1 1789455825 FJXAXDHCOZOIFQ-KRWDZBQOSA-N 429.973 5.313 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccco4)CCC3)cc2)c(Cl)c1 1790763875 DKYAGAKITFNYTQ-PKNBQFBNSA-N 445.906 5.266 30 20 IKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)c(Cl)cc3F)cc2)CCC1 1792175066 CCDUOXMKYYKDGW-LLVKDONJSA-N 441.355 5.199 30 20 IKED CC(C)(C#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCc1ccccc1 1804257846 XVJFIXYPAHJJRN-BKFWDETESA-N 437.628 5.148 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccccc2Cl)n[nH]1 1816904395 VEZFSCXMLTVAFL-GHTZIAJQSA-N 440.975 5.066 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCC(F)(F)CC2)CC1 1823751327 RSMPLGVENWLUBK-OAQYLSRUSA-N 438.603 5.424 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](CCC)n2cccc2)CC1 1828825095 QKKPUAVEVQABTO-UBFVSLLYSA-N 439.644 5.217 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sccc2OCC)CC1 1829064812 NIHBEEFSVVNQKH-FQEVSTJZSA-N 446.657 5.373 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2c(C)c[nH]c2C)CC1 1829068379 SLVDHFKNZWOAEC-XMMPIXPASA-N 441.660 5.176 30 20 IKED CC1(C)CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)C1 1831930463 RBPCNPVPDKNAKV-QHCPKHFHSA-N 444.736 5.093 30 20 IKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 1844755538 NYGMCOMXCLKHJB-UHFFFAOYSA-N 432.539 5.078 30 20 IKED C=CCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1ccc(Cl)cc1Cl 9825821 RKGKXJXEPMSYOW-GUYCJALGSA-N 439.412 5.225 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)n1 10399426 ZUVVHEAQKQYEBF-SNVBAGLBSA-N 448.297 5.557 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc(C(C)(C)C)cc2)c1 11170750 GBZZFSCQJHAJRX-UHFFFAOYSA-O 435.588 6.078 30 20 IKED C=CCn1c(SCC(=O)Nc2c(CC)cccc2CC)nnc1-c1cccc(Cl)c1 14069089 WXSJNVCRSMINDH-UHFFFAOYSA-N 441.000 5.640 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)c2c(Cl)cccc2Cl)n(-c2ccccc2)c1C 14079089 JOWSWQVGQFQOCX-UHFFFAOYSA-N 442.302 5.068 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccccc1Sc1ccccc1C#N 15806213 NVPUCAOAOKHIER-QGZVFWFLSA-N 446.528 5.292 30 20 IKED CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)CCc2ccc(C#N)cc2)c1 23193802 ZFRWTDICYPESIW-FQEVSTJZSA-N 425.532 5.239 30 20 IKED CCCCSc1nnc(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)s1 26108731 IQGJFOZFTDHKRX-CQSZACIVSA-N 446.648 5.522 30 20 IKED COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)c(C(F)(F)F)c1 60101261 WPRFYGSMVQUQPN-UHFFFAOYSA-N 425.300 5.141 30 20 IKED C=CCn1c(SCc2csc(C3CCCC3)n2)nnc1[C@H]1COc2ccccc2O1 64024852 FKGSGIPLKDEJMC-LJQANCHMSA-N 440.594 5.383 30 20 IKED COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)cc1OCCCC#N 64367341 GGYTWMMTHTYFLP-JQIJEIRASA-N 437.499 5.247 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H]2CCSc3ccccc32)cc1OCC 302221819 LRVIGWIPDIKJGP-GOSISDBHSA-N 434.399 5.739 30 20 IKED Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 409658504 XQYBZBNETSSJKE-UHFFFAOYSA-N 431.439 5.107 30 20 IKED COc1ccccc1-c1csc(C2CCN(c3ccc(C(F)(F)F)c(C#N)n3)CC2)n1 409676440 SALDPUVIYXPVDI-UHFFFAOYSA-N 444.482 5.488 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1nc(-c2cccc3ccccc23)c(C)s1 426396110 MCHTVICMEBSJJL-UHFFFAOYSA-N 442.544 5.432 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1 426652337 SLPWPBJJNSSCSK-QFIPXVFZSA-N 440.421 5.220 30 20 IKED Cc1ccc(OC(F)F)c(CSCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 427714113 STJBNBXYPCWBEL-HNNXBMFYSA-N 436.549 5.863 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ncc(-c2ccccc2)o1 438661803 UUGRTCMFPZASRT-INIZCTEOSA-N 442.450 6.027 30 20 IKED COc1c(C)cnc(CN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1C 438666948 JNXXWNGGAYPPPV-UHFFFAOYSA-N 434.471 5.174 30 20 IKED COCc1nc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c(-c2ccccc2)s1 441273857 DGKLFWLTOZRYFB-OAHLLOKOSA-N 432.332 5.258 30 20 IKED N#CC(CCN1CCC(O)(Cc2ccc(F)cc2)CC1)(c1ccccc1)c1ccccc1 444673620 IEZRBVGEFPCKJB-UHFFFAOYSA-N 428.551 5.095 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H]2CCCN(c3ccccc3)C2)cc1 447730132 JBHWDIHCUITDOZ-QHCPKHFHSA-N 441.600 5.497 30 20 IKED CC(=O)N[C@@H](CC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1)c1ccccc1 460331769 RAJPQZAXRQRCKI-DEOSSOPVSA-N 431.923 5.012 30 20 IKED C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 460799118 YIOGEAFMLNHBAP-QFIPXVFZSA-N 448.567 5.279 30 20 IKED Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)[C@@H](C)c2cccc(C#N)c2)C3)cc1 462075828 HLCIUANWDQQBEI-IBGZPJMESA-N 438.531 5.199 30 20 IKED C[C@H](CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(F)c(Br)c1 462600997 HINFMDKRCLQUGV-OAHLLOKOSA-N 427.317 5.269 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC(c3noc(C4CC4)n3)CC2)c1 462905062 YWYZDUJGTXSVOV-UHFFFAOYSA-N 448.910 5.284 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@](C)(C#N)C(C)(C)C)c(OC)c1 464169146 RLKLDDXBABEUCH-SANMLTNESA-N 433.552 5.229 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1 475531252 MIBODVMJYHNBIG-HXUWFJFHSA-N 444.362 5.428 30 20 IKED Cc1nc2ccccc2n1C1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 477352835 RUZKONGIGNHNRG-UHFFFAOYSA-N 436.515 5.486 30 20 IKED N#Cc1ccc(NC(=O)N2CCSC[C@H]2c2cccc(C(F)(F)F)c2)c(Cl)c1 478093773 IFFQRSJWXMLLIF-KRWDZBQOSA-N 425.863 5.552 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(Oc3cccnn3)c2)cc1 479819434 ZKHKHKDOAYEFLW-UHFFFAOYSA-N 438.512 5.685 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 481147164 TXZWPMKMTHUCPB-SFHVURJKSA-N 441.462 5.651 30 20 IKED N#CCC[C@@H](NC(=O)NCc1ccc(Br)cc1C(F)(F)F)c1ccccc1 481619195 BKYFAMFTKJOVKB-QGZVFWFLSA-N 440.263 5.312 30 20 IKED N#Cc1ccc(SCC(=O)N(CCc2ccccc2)c2nc3ccccc3s2)cc1 482162983 JLZIKAKDJAPUJW-UHFFFAOYSA-N 429.570 5.536 30 20 IKED C[C@@H]1CN(c2ccccc2NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H](C)O1 483403620 HLFSJZKRDUUDJW-RTBURBONSA-N 427.504 5.216 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(CN4CCCCC4=O)c3)c2)cc1 483589300 XAQUSEGZFQINOX-UHFFFAOYSA-N 425.488 5.115 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3nc4c(cc3C#N)CCCC4)c3c(C)noc3n2)c(C)s1 484182445 VTYITRSWWPWISA-UHFFFAOYSA-N 443.532 5.274 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC(C(=O)c4cc(F)ccc4F)CC3)c2)cc1 484666512 FYBBXQDNDYQDRC-UHFFFAOYSA-N 446.453 5.364 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1cc(Br)cc(F)c1F 485478395 IJGLFUKLMGHFHS-LLVKDONJSA-N 441.297 5.139 30 20 IKED N#Cc1cnn(-c2ccc(C(=O)Nc3ccc(F)cc3-c3ccc(Cl)cc3)cc2)c1N 487766513 BEWCYWODXPMTQN-UHFFFAOYSA-N 431.858 5.038 30 20 IKED C=C(C)Cn1c(SCc2c(C(=O)OCC)oc3ccccc23)nnc1-c1ccncc1 489383974 AWTPGAGVVZDKNL-UHFFFAOYSA-N 434.521 5.131 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21 490150951 OCZMMQCOOVTFCG-DEOSSOPVSA-N 432.520 5.050 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C 493101618 BHSZABRTBXJSOH-UHFFFAOYSA-N 431.521 5.182 30 20 IKED CN(C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)[C@@H](c1ccccc1)c1ncc[nH]1 493201264 DXHGINISOCPJPZ-QHCPKHFHSA-N 442.906 5.589 30 20 IKED CCc1nc(C(=O)N(CC)[C@@H](C)c2ccc(C#N)cc2)nn1-c1c(Cl)cccc1Cl 499372149 KJZSDVXXBZCKNI-AWEZNQCLSA-N 442.350 5.231 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 500439861 ISSSRCYRBSTZAK-IBGZPJMESA-N 434.561 5.577 30 20 IKED CC(C)c1nc([C@H]2CCCCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)no1 500781080 XGPDFALETFNCET-OAQYLSRUSA-N 445.523 6.006 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)c12 505331162 WHISKNBKXOTULK-AWEZNQCLSA-N 440.381 5.339 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N[C@H]3CCCc4cn(C5CCCC5)nc43)s2)cc1 506277082 JBAFGHVKVALEKM-NRFANRHFSA-N 446.580 5.116 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 506517842 RHYYWOSVPRASQB-UHFFFAOYSA-N 445.588 5.490 30 20 IKED Cc1cc(Br)c(NC(=O)CSc2ccc(C#N)cc2)c(Br)c1 509676555 BQZABINMDYMEEA-UHFFFAOYSA-N 440.160 5.123 30 20 IKED CCOc1cc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)ccc1OC 512560893 UGOIKQGSXONWBV-UHFFFAOYSA-N 445.519 5.175 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(C)c1 513548016 HSDOXELQNIHODJ-UHFFFAOYSA-N 436.556 5.174 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@H](C#N)c1nc2ccccc2s1 513670907 DFPGYJZFNKJIPP-HNNXBMFYSA-N 435.505 5.548 30 20 IKED C=CCN(C(=O)c1ccc(C#N)c(C)n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 514901621 HXVCSRMPKVHVOM-UHFFFAOYSA-N 436.540 5.885 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 515772620 PIICLPZECYFHCR-UHFFFAOYSA-N 432.521 5.329 30 20 IKED C=CCN(C(=O)CCc1cc2ccccc2o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 517306355 MICXBBITVUDZCC-UHFFFAOYSA-N 433.489 5.616 30 20 IKED CC(=O)c1c(C)cc(C)c(CSCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1C 517460845 AHRORWUJHSNWHP-HNNXBMFYSA-N 440.634 5.938 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccccc1S[C@H](C)CC#N 518239594 HLRPTMHIZCLACG-CQSZACIVSA-N 425.535 5.548 30 20 IKED C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Nc1cccc(OCCCC#N)c1 518349618 XAOPYFBEJLWXJW-CQSZACIVSA-N 439.865 5.871 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc(OC)c1OC 519054368 QFFBYDILTZYNPH-MRXNPFEDSA-N 447.491 5.259 30 20 IKED Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)n2)n1 519511156 JBIZJCZAWYSRLQ-UHFFFAOYSA-N 443.894 5.454 30 20 IKED CN(C[C@H]1OCCc2ccccc21)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 519654994 REBRPMBLRIJUGE-XMMPIXPASA-N 432.907 5.390 30 20 IKED N#Cc1cccc(OCCCCC(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)c1 520340760 ZKGVYKVSPWKDML-UHFFFAOYSA-N 442.519 5.068 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(CCc1ccccc1)Cc1cccnc1 520939352 SKKDAZCXRWWPOG-HXUWFJFHSA-N 430.577 5.753 30 20 IKED Cc1cc(Br)ccc1SCC(=O)Nc1ccccc1S[C@H](C)CC#N 521326658 BJIWGEDGPJKDFF-CQSZACIVSA-N 435.412 5.883 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 521746462 JIEXXFMOLDFQNE-SFHVURJKSA-N 443.572 5.862 30 20 IKED Cc1cc(Br)ccc1NC(=O)CCNc1ccc(C#N)c(C(F)(F)F)c1 521856844 OGJODFZRDHTONI-UHFFFAOYSA-N 426.236 5.089 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1 521887639 ZOTXZXFPYMKXIV-JOCHJYFZSA-N 436.298 5.439 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(c4c[nH]c5ncccc45)CC3)c2)cc1 522844761 NBDGHWHHGAVLKT-UHFFFAOYSA-N 437.503 5.638 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(OCC3CCOCC3)cc2)cc1 522955719 ZDYGXQLLZOUXGI-UHFFFAOYSA-N 446.478 5.547 30 20 IKED Cc1ccc([C@H]2CCCCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)o1 523420320 MOLQRTPOYYSYHP-HSZRJFAPSA-N 442.519 5.861 30 20 IKED N#C[C@H](C(=O)c1cccc(-n2cncn2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 523796795 CERHDRSZFLUSMA-MRXNPFEDSA-N 440.315 5.188 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCc2cccc(Br)c2C1 532056873 WXMKWCWSZBJKJG-CQSZACIVSA-N 430.371 5.291 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)[C@@H](OC3CCOCC3)c3ccccc3)c2)cc1 534618140 WJALYROEBNTPAN-VWLOTQADSA-N 428.488 5.226 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 537493224 PEWWIUZPRUOJCJ-PZJWPPBQSA-N 443.469 5.138 30 20 IKED C[C@H](NC(=O)N1CCC(OCc2ccccc2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 541156621 DNWDAKHBAUHDNE-NRFANRHFSA-N 439.559 5.677 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC2CC(OCc3ccccc3)C2)cc1 545919103 GFVOAVKLCILIJI-UHFFFAOYSA-N 441.531 5.201 30 20 IKED CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)c1ccc(C#N)c(Cl)c1 548283898 VDVINCWUBOMKAY-UHFFFAOYSA-N 425.891 5.491 30 20 IKED C=C(C)[C@@H](NC(=O)NCc1cccc(COCc2ccco2)c1)c1ccc(F)c(F)c1 548453788 UQXAPTNQBMQXDA-HSZRJFAPSA-N 426.463 5.391 30 20 IKED CCOC(=O)C1CCC(N(CC)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 548955452 IIWCEFSXVZIBJX-UHFFFAOYSA-N 435.524 5.326 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC(C(F)(F)F)CC1 549270871 SOTMGWQIEPAJGP-INIZCTEOSA-N 438.494 5.172 30 20 IKED N#CCCC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1 551831081 PSEFYFUDNRAXAM-HSZRJFAPSA-N 447.922 5.622 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 555253522 JILNSOHEDBHMCB-QHCPKHFHSA-N 447.970 5.158 30 20 IKED Cc1ccc(CN2CC[C@@H](CN(C)C(=O)c3ccccc3Oc3ccccc3C#N)C2)s1 556828545 RDXHVNZIUIAFSR-FQEVSTJZSA-N 445.588 5.315 30 20 IKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)Nc1ncccc1OCCCC#N 558088940 YHJJTOXQIKSUFG-UHFFFAOYSA-N 436.515 5.469 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 581564312 IHYBTBQLCPJYTK-UHFFFAOYSA-N 447.897 5.582 30 20 IKED C=C(C)COc1cccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c1 589382572 ULOPUKUMDOEEPY-UHFFFAOYSA-N 435.833 5.752 30 20 IKED N#Cc1ccc(NC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)cc1F 589800531 IHLHECUBIAJZAA-UHFFFAOYSA-N 442.294 5.173 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC(F)(c3ccccc3F)C2)cc1 590107888 RHWYXFFVMOIWQS-UHFFFAOYSA-N 433.458 5.183 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ccc(Br)s2)n1)c1ccc2ccccc2n1 606752833 DFHCRXGBCQJBOR-GFCCVEGCSA-N 440.347 5.672 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 606771308 DREDKHYWSQMRKA-RYUDHWBXSA-N 449.313 5.473 30 20 IKED CC(C)(CNC(=O)c1occc1COc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 608901442 WRIQAMFJLKTEOF-UHFFFAOYSA-N 442.437 5.457 30 20 IKED CCOc1ccc([C@H](NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)C(C)C)cc1OCC 608918740 OPEDIAFDBHVTSV-RUZDIDTESA-N 437.584 5.673 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCO[C@H](c2ccccc2)C1 609078009 AGGBRRJGIUILTF-VWLOTQADSA-N 427.504 5.051 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCO[C@H](c4ccc(F)c(F)c4)C3)c2)cc1 609208870 OLUMNLPTIXJAQB-QHCPKHFHSA-N 435.430 5.234 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 609402842 CTXPBDSYEOMUPA-DYESRHJHSA-N 443.016 5.550 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)N[C@@H](C)C(=O)N(CCC#N)c1ccccc1 610341873 DKEOOFNMNLKMDR-AEFFLSMTSA-N 436.556 5.244 30 20 IKED CCOC(=O)CCC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 614160332 OWCBQSSWKJDASQ-UHFFFAOYSA-N 435.524 5.246 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H]2CSCc3ccccc32)cc1OCC 620758812 BTNOXGOLXWEBMS-LJQANCHMSA-N 434.399 5.490 30 20 IKED C=CCc1cc(CNC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc(OC)c1OC 622949188 UABLCZAXDAXTHS-JOCHJYFZSA-N 440.540 5.222 30 20 IKED Fc1ccc([C@H](C[C@@H]2CCOC2)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 644532191 YBKXCIBJOGXBBA-AZAGILFBSA-N 427.404 5.793 30 20 IKED Cc1onc(-c2ccncc2)c1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 675908282 JOFUNHQMQJDAKZ-CYBMUJFWSA-N 428.395 5.164 30 20 IKED C=CCC[C@H](NC(=O)NC1CCN(C(=O)C(C)(C)C)CC1)c1ccc(C(F)(F)F)cc1 676723876 ZWTIVTOGNWDYEB-IBGZPJMESA-N 439.522 5.049 30 20 IKED Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 727242453 SPRWEMFLABDTTJ-UHFFFAOYSA-N 427.895 5.207 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cccc(OCc2ccc(Cl)cc2)c1 729068526 YTJUAYZRUKOITJ-OAQYLSRUSA-N 439.298 5.534 30 20 IKED Cc1nc(CCC(=O)N2/C(=N/Cc3ccccc3)SCC2(C)C)oc1-c1ccccc1 730160799 NYJZFJFVEBWGDR-LCUIJRPUSA-N 433.577 5.493 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2Cl)o1)c1nc2cc(F)ccc2s1 730418725 YQMRLBRNIOKJAW-AWEZNQCLSA-N 425.872 5.553 30 20 IKED Oc1ccc2ccccc2c1C=Nn1c(S)nnc1COc1c(Cl)cccc1Cl 730583139 CGFGBCFNVLCGAR-UHFFFAOYSA-N 445.331 5.194 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)CCc1nc2cc(Cl)ccc2s1 730608807 NCSYYPCOTXSZNP-AWEZNQCLSA-N 448.997 5.090 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1Oc1ccccc1 731072159 YNRJDHULSOBDTK-GOSISDBHSA-N 446.528 5.669 30 20 IKED CCOc1cc(/C=C/C(=O)c2cc(OC)c(OC)cc2C)cc(Br)c1OC 731317900 FRJJVQPREHFLKP-BQYQJAHWSA-N 435.314 5.078 30 20 IKED CCN(C(=O)/C=C/c1ccccc1C#N)[C@@H](c1ccc(Br)cc1)c1cccnc1 732963442 OCFRCNRAEBKQHD-PSVMIJIFSA-N 446.348 5.367 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)c1 733772072 ZCPQOTRVMPDYND-QPPBQGQZSA-N 434.536 5.656 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1 734079507 RNNADHFEBHHXQV-OAHLLOKOSA-N 426.259 5.142 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 734212154 KBHLTRNASPCNLT-UHFFFAOYSA-N 446.551 5.072 30 20 IKED N#CCOc1cccc(NC(=O)NCCCCSc2ccccc2Br)c1 734645310 BQOJUCUBFUNQKZ-UHFFFAOYSA-N 434.359 5.045 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(N3CCOC3=O)cc2)c1 735040369 NIXFZXCTALTEEV-UHFFFAOYSA-N 433.851 5.213 30 20 IKED CCOc1c(Br)cc(/C=C/C(=O)c2c(Cl)nc3ccccn23)cc1OC 737448870 KFJCFFJLGVSBCD-BQYQJAHWSA-N 435.705 5.054 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)NCc3ccccc3OCC(F)(F)F)c2)s1 740037616 ZUOKVPJXEITARN-UHFFFAOYSA-N 445.466 5.227 30 20 IKED O=C(/C=C/c1cc(Br)ccc1F)c1ccc(S(=O)(=O)C2CCCC2)cc1 741447478 LVXMNONCKROFPU-KPKJPENVSA-N 437.330 5.201 30 20 IKED COc1cc(C(C)=NNc2nc3cc(C(F)(F)F)ccc3s2)cc(OC)c1OC 743445423 UBTFFTXRSAYTSA-UHFFFAOYSA-N 425.432 5.177 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C=C(\C)c1ccccc1C(F)(F)F 744028484 IRSWWCINZYLLPY-LLLGYDHXSA-N 428.454 5.581 30 20 IKED C[C@@H](CCc1cccc(F)c1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 744029013 PREDLFSKBSRFFC-PGRDOPGGSA-N 430.479 5.534 30 20 IKED CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 745947568 DZMDCRJRPKBWAJ-SFHVURJKSA-N 449.334 5.039 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)N[C@H](CCC#N)c3ccccc3)ccc21 748602299 MGZMLBYXZHHDFJ-OAQYLSRUSA-N 434.540 5.541 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(CON=C(c2ccccc2)C(F)(F)F)cs1 751961657 IMMVMGIJZBULDQ-UHFFFAOYSA-N 437.418 5.450 30 20 IKED C/C(=C\C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1OC(F)F 753396441 OHHZNTUIQDOIEF-MDNBWPLSSA-N 435.455 5.563 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(SC(=O)N(C)C)cc2)cc1 756927038 LUSXYCLQHOQYMO-UHFFFAOYSA-N 431.517 5.685 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 758584066 JMEIRAAPKJUBCL-CVDCTZTESA-N 431.492 5.372 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 761665853 ZILHRTRWYYMRSI-HXUWFJFHSA-N 428.467 5.163 30 20 IKED C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CCO[C@@H](c2cccc(C#N)c2)C1 761760680 LFGZNRGJZCEQKX-BFUOFWGJSA-N 429.307 5.050 30 20 IKED C[C@@H](c1ccccc1)n1c(SC[C@H](O)c2ccc(C#N)cc2)nnc1-c1ccccc1 763231573 NZJQTXRXQKXDOF-MBSDFSHPSA-N 426.545 5.252 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2C[C@@H](c3ccccc3)c3ccccc32)ccc1OC 770610459 DRJOACRLTBLTOM-GMAHTHKFSA-N 441.531 5.238 30 20 IKED Fc1ccc(C=NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)c(C(F)(F)F)c1 771883793 ISAYOZKUPXRNII-UHFFFAOYSA-N 429.299 5.161 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 780161343 DKVIJUCUWLMTEE-KRWDZBQOSA-N 425.513 6.020 30 20 IKED Cc1sc(CNC(=O)Nc2ccccc2O[C@H](C)C#N)nc1-c1ccc(Cl)cc1 780673928 HBSLZKZWCZASLN-CYBMUJFWSA-N 426.929 5.385 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 781447432 IHZIXGKOEQTHSI-CYBMUJFWSA-N 448.784 5.460 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cccc2cnccc12 782898305 GYNKSMZKMFRRRL-UHFFFAOYSA-N 430.920 5.517 30 20 IKED COc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 783355503 AFPPVCOOURMFOK-HNNXBMFYSA-N 432.423 5.163 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1 784690216 GVLRHKVHQWNJJN-UHFFFAOYSA-N 435.549 5.012 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN2CCC([C@@H](F)c3ccccc3F)CC2)c1=S 795652229 ANFQWHQHUBHDDX-OAQYLSRUSA-N 441.551 5.181 30 20 IKED C#CCC(CC#C)C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 807222965 WWRBRNICFXVSMG-AWEZNQCLSA-N 429.282 5.107 30 20 IKED CC(=O)N(c1nc(/C=C2/Oc3cccc(Cl)c3C2=O)cs1)c1ccc(F)cc1F 811696123 ADXZLOZMBOKAKV-CAOOACKPSA-N 432.835 5.376 30 20 IKED CN(Cc1ccccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1)C(=O)OC(C)(C)C 814640643 NDKQBACLNXDNLE-NRFANRHFSA-N 436.556 5.610 30 20 IKED CC(C)c1ccccc1N=C1SCCCN1C(=O)CCc1nnc(-c2ccsc2)o1 879389495 DGIZFIMAGBXFJD-UHFFFAOYSA-N 440.594 5.507 30 20 IKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915101628 JFZJBSGVMKEECN-IFMALSPDSA-N 447.947 5.604 30 20 IKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc([C@H](C)CC)cc2)NC1=O 916232744 PVEVFSYMYHQOOD-IERDGZPVSA-N 439.581 5.237 30 20 IKED CC[C@@H](C)c1ccccc1OCC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916908002 KMVBWNBGWJYKCL-KNQAVFIVSA-N 442.515 5.719 30 20 IKED Cc1cc(-n2c(C)cc(C=Nn3c(C)nc4scc(-c5ccccc5)c4c3=O)c2C)no1 917026941 WHPLYYRYJSNHRO-UHFFFAOYSA-N 443.532 5.020 30 20 IKED N#C[C@H](C(=O)CSc1ccc(F)c(F)c1)c1nc2cc(C(F)(F)F)ccc2s1 917043572 MCDWQHXVNDCSGE-LLVKDONJSA-N 428.407 5.562 30 20 IKED CCCCc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1 917559718 MWVSVKVFFRIIBQ-NTCAYCPXSA-N 438.980 6.720 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(-n4nc(C)cc4C)cc3)n2)cc1 920138372 FXQNREQWJBOOQP-JOCHJYFZSA-N 442.544 5.040 30 20 IKED C=CCN(C(=O)C(F)(F)c1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 920840261 OWAWAZVHHAGMBP-UHFFFAOYSA-N 433.411 5.168 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2coc(-c3ccccc3)n2)cc1C 920893422 CPLOEPULNJUKKR-UHFFFAOYSA-N 426.476 5.093 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(N2CCCC2=O)cc1 920978322 VQUBFGUZFKIQAV-GOSISDBHSA-N 440.503 5.360 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)cc1 921235483 CYHFQINZPOSWGD-UQBPGWFLSA-N 444.966 5.643 30 20 IKED COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2cc(C#N)c(SC)nc2O)cc1 1524521752 CWAAJEIYRVOCGJ-UHFFFAOYSA-N 441.896 5.087 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cnccc4[nH]3)CCC2)cc1 1786103554 NRWJJVWEXVIALS-UHFFFAOYSA-N 428.536 5.079 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C)nc3C)CCC2)cc1 1786104230 FCOLSSPBNJHKRD-UHFFFAOYSA-N 445.607 5.534 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](F)c4ccccc4)cc3)CCC2)c1 1786614352 JYSAVGISQLXRHJ-QHCPKHFHSA-N 427.479 5.017 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)n3C)cc2)CCC1 1788847330 UWOWPCBVOLLKBJ-HNNXBMFYSA-N 433.474 5.004 30 20 IKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4cccc5ccccc45)cc3)CCC2)c1 1788897213 WJVVVKNFNRJJSA-UHFFFAOYSA-N 434.499 5.101 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc4nccn4c3)cc2)CCC1 1789079337 OSUQQASQRWUWJK-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CSC3CCCC3)CCC2)cc1 1789448513 BDRVTBUXKFULOL-JOCHJYFZSA-N 426.626 5.565 30 20 IKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)C3=COCCC3)cc2)CCC1)c1ccccc1 1791637423 WKBMYZLHWJASPD-VWLOTQADSA-N 442.559 5.012 30 20 IKED Cc1oc(C(C)(C)C)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@@H](C)C#N)c1)C2 1795131366 YOJRNLJFMWEDDL-ZIPUMODLSA-N 447.579 5.078 30 20 IKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1cccc(C)c1 1796472710 CGRSBRMRFHHTCL-BKFWDETESA-N 443.591 5.077 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)C3(c4cccc(F)c4)CC3)C2)CC1 1806616247 XKJWGQMMCACOIK-UHFFFAOYSA-N 440.603 5.081 30 20 IKED CC1=CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)CC1 1823215258 PBZCHIZIDCKWKP-YDHSSHFGSA-N 445.567 5.089 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(C)C)on2)CC1 1823750466 MEJGAMPHZOLVRT-OAQYLSRUSA-N 429.605 5.024 30 20 IKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(C)(C)C)oc2C)CC1 1824955791 RQMQODQSYZJZMG-OAQYLSRUSA-N 446.657 5.038 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)cc2OC)CC1 1829071492 QLUNQSKGCPUIQX-QHCPKHFHSA-N 440.628 5.229 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)cccc2Cl)CC1 1829899814 RXDIEKLZSVWFHP-KNQAVFIVSA-N 446.994 5.481 30 20 IKED CC(C)[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)CC1 1831566042 RVRMRJDLXURNLW-QIGHUWCUSA-N 449.639 5.254 30 20 IKED CC(=O)[C@]12O[C@@](C)(c3ccccc3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 1857775770 AHBKIEXBQNRDNL-UZDDMTJNSA-N 448.603 5.744 30 20 IKED CCn1c(SCC(=O)Nc2ccc(CC#N)cc2)nnc1-c1ccc(Cl)cc1Cl 20071937 BOEZUKBFTGYARO-UHFFFAOYSA-N 446.363 5.069 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccccc2C)cc1 22695899 BWKRRNSJINSPIS-UHFFFAOYSA-O 437.654 6.607 30 20 IKED Cc1cccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(C(C)(C)C)cc2)c1 22729026 XAQSZHXHZUTEDH-UHFFFAOYSA-O 439.551 5.909 30 20 IKED C[C@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)Nc1sc2c(c1C#N)CCC2 23499528 UBWDQEISRNKPAP-NSHDSACASA-N 444.632 5.204 30 20 IKED C[C@H](Sc1cc(C#N)ccn1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 71918349 FCPUTEXOVNXZFQ-IFXJQAMLSA-N 436.924 5.058 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1 72074606 QNOLGWZQHYQAKL-INIZCTEOSA-N 444.466 6.030 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2SC)nnc1-c1ccccc1F 195569477 CFPRABZMMUGPIP-CQSZACIVSA-N 428.558 5.111 30 20 IKED CC(C)n1cc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cn1 214918645 UFLNWMDSAFEGBU-DAXSKMNVSA-N 430.258 5.291 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(C#N)cc1Cl 430370343 SJVASWDXTOAFLF-LBPRGKRZSA-N 432.332 5.780 30 20 IKED C[C@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@@H]1OCCc2sccc21 431835615 PEYYXXLZNYMDBP-XDHUDOTRSA-N 432.545 5.282 30 20 IKED CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 432033729 VBJWCOQBBDTUOW-NRFANRHFSA-N 445.523 5.335 30 20 IKED CC[C@@H](C)c1ccc(-c2csc(NC(=O)Cn3cc(C#N)c(=O)c4ccccc43)n2)cc1 432552396 DKZKUXGQWZDMQP-MRXNPFEDSA-N 442.544 5.149 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N[C@H](c3cc(F)ccc3F)C(F)F)s2)cc1 432898827 STENCZBKUSJXPD-QGZVFWFLSA-N 434.418 5.012 30 20 IKED N#Cc1ccc(Cc2cnc(NCc3c[nH]nc3-c3ccsc3)s2)c(C(F)(F)F)c1 436019672 CHXOLMBVDDSIAR-UHFFFAOYSA-N 445.495 5.688 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Cl)cc(Br)c3)n2)cc1 437376030 LOZSKLNHBUYJFI-MRXNPFEDSA-N 442.725 5.588 30 20 IKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cc3ccc(NC(=O)C4CC4)cc3)c2C#N)C1 443807862 WRJZZRYFFKNVPF-KRWDZBQOSA-N 435.593 5.300 30 20 IKED C=CCNC(=O)c1ccc(NCc2csc(-c3cccc(Br)c3)n2)cc1 446889004 QIIAYJGVAVUAFQ-UHFFFAOYSA-N 428.355 5.101 30 20 IKED COc1cc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c2ccccc2n1 461285111 OHBWBAOOSDHCBE-UHFFFAOYSA-N 439.540 5.337 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCN1c2ccccc2CC[C@H]1C 462038191 KWVGXOZFDFOEAK-LJQANCHMSA-N 426.520 5.224 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc1OCC 464416792 KNMLLFLOAGTLHY-AWEZNQCLSA-N 426.822 5.431 30 20 IKED C=CCN(Cc1nc(C)c(-c2ccc(Cl)cc2)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 468268300 QNIOCKGGRZGMJC-KRWDZBQOSA-N 434.931 5.028 30 20 IKED CCOc1cc(Br)ccc1NC(=O)c1cn(CCCC#N)c2ccccc12 469614697 DFOYBXHWBSCDGC-UHFFFAOYSA-N 426.314 5.359 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 472323859 HDFATJDJORPELH-RFVSGWPVSA-N 446.979 5.298 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1 472845622 HOAXSKCHMHEBAP-UHFFFAOYSA-N 435.915 5.582 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ncccc1Br 475763466 SDVHGEAWPBYNJH-UHFFFAOYSA-N 430.249 5.121 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(COC(C)(C)CC)c1C 477025973 YICZNKMARYRYEQ-UHFFFAOYSA-N 426.605 6.088 30 20 IKED C[C@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@@H](C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 478901666 RGYYGIWYURETAH-HDICACEKSA-N 430.552 5.138 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccco1 479930150 NMKWVNBNCOZNSP-UHFFFAOYSA-N 430.533 5.512 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccccc3I)c2)cc1 482316945 LJCSTUUMCZHYML-UHFFFAOYSA-N 440.240 5.207 30 20 IKED COc1cc([C@@H](C)NC(=O)CSc2ccc(C#N)cc2)ccc1OCc1ccccc1 483464091 KAFQVMNRZNBIGM-GOSISDBHSA-N 432.545 5.115 30 20 IKED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C2CC2)[C@H](C)c2ccc3ccccc3c2)cc1 483599391 FDAKVPYDISIQQU-ZWKOTPCHSA-N 447.560 5.283 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 484589315 HRAQUQWTZXWLHZ-GOSISDBHSA-N 437.565 5.111 30 20 IKED COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)N[C@@H](C)CC#N)cc1OC 484773343 YNEBRQFYKVPZKC-STZPCZCHSA-N 441.531 5.161 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Br)cc2)nnc1-c1cccs1 489457261 PYSCXFOGEPOAPO-GFCCVEGCSA-N 449.399 5.074 30 20 IKED C[C@@H](NC(=O)Nc1cc(F)c(OC(F)F)cc1F)c1ccc(OCC(F)(F)F)cc1 491332259 HQGYCQXJLGNHOR-SECBINFHSA-N 440.315 5.390 30 20 IKED C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 497797552 BEWVPTQNKVIPBH-INIZCTEOSA-N 438.886 5.530 30 20 IKED CCOc1cc(-c2nnc(Sc3cccc(F)c3C#N)o2)cc(OCC)c1OCC 499685130 PHZVRIMCUWSTBE-UHFFFAOYSA-N 429.473 5.095 30 20 IKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1 501163740 JPZWSQSIMZWFIR-UHFFFAOYSA-N 447.498 5.360 30 20 IKED C[C@H](c1ccccc1Br)N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 503636152 ZCRZGWDOHALIBQ-OAHLLOKOSA-N 436.309 5.341 30 20 IKED Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 503901381 NBMWSYSZKLNOMS-UHFFFAOYSA-N 436.437 5.205 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H](c3ccccc3F)C2)cc1 504056865 NEJLPLCGNONKLF-GOSISDBHSA-N 431.467 5.520 30 20 IKED Cc1noc(C)c1COc1ccc(CC(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cc1 505539053 DZRHTHAFCDPKEN-HXUWFJFHSA-N 444.318 5.101 30 20 IKED N#C[C@H](NC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1)c1ccccc1F 505936711 AMUNWBNQQGPXOG-FQEVSTJZSA-N 432.842 5.191 30 20 IKED N#C[C@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(Cl)c(Cl)c1 505970001 FMABZWQHHHCVCE-INIZCTEOSA-N 435.698 5.010 30 20 IKED C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F 506644840 FUFBMCUQHSACCL-LLVKDONJSA-N 434.892 5.554 30 20 IKED N#Cc1ccc(-c2ccccc2)nc1SCc1nnc(C(=O)Nc2ccc(F)cc2)s1 510223128 RLHFXPZBNLWGHG-UHFFFAOYSA-N 447.520 5.155 30 20 IKED CN(Cc1nc2ccccc2s1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511529878 DVFSBQOPBZXQOA-UHFFFAOYSA-N 441.516 5.084 30 20 IKED CCn1ncc2c(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cc(-c3ccccc3)nc21 513186697 NFHOFHBEFPJULZ-QGZVFWFLSA-N 435.409 5.022 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)c1nc2ccccc2s1 513652648 BJCSOOWBCXTRDT-MRXNPFEDSA-N 444.903 5.885 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2ccccc2SCc2cn3ccccc3n2)nc2ccccc21 513666343 LISUNTDBVFCVPA-IBGZPJMESA-N 437.528 5.003 30 20 IKED C[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(Oc2cccnc2)cc1 514181190 ZLXGERSCHOLFPL-LJQANCHMSA-N 442.519 5.060 30 20 IKED C=CCN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)c1nc2c(s1)CCCC2 515098395 XZYJCRPUVVTSCQ-UHFFFAOYSA-N 429.545 5.305 30 20 IKED CCO[C@@H](c1noc([C@@H](C#N)Cc2ccc(C#N)cc2)n1)c1ccc(F)cc1C(F)(F)F 516440808 LAZCKAVUOIAYBF-DNVCBOLYSA-N 444.388 5.075 30 20 IKED C=CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 517627575 VUUFVBCJIYIZGP-IIBYNOLFSA-N 427.474 5.056 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCCN(Cc4ccc(F)cc4)CC3)cc2)cc1 518390863 RPLPWQYQODMLQF-UHFFFAOYSA-N 443.522 5.032 30 20 IKED CC(C)c1cc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c2cnn(C(C)C)c2n1 518850000 KJAJFKISJFAGTH-IBGZPJMESA-N 430.339 5.437 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 520809808 QQIYWNCDAQJPOH-UHFFFAOYSA-N 439.313 5.317 30 20 IKED CCCO[C@@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 520850840 YDHZCSLDVQPZDG-IFMALSPDSA-N 425.960 5.808 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccc(C(F)(F)F)cc2)cc1 523873115 GPFCXMXDWDEKQD-UHFFFAOYSA-N 441.428 5.628 30 20 IKED N#CCCn1cc(CNC[C@H](c2ccccc2Cl)N2CCCC2)c(-c2ccccc2)n1 524310488 PJOSQPXWSZLTLJ-XMMPIXPASA-N 433.987 5.044 30 20 IKED N#Cc1ccc(CN2CCCN(C(=O)C3(Cc4cccc(Cl)c4)CCCC3)CC2)cc1 525072033 YCBFPAYTHSIFDD-UHFFFAOYSA-N 435.999 5.049 30 20 IKED N#Cc1cccc(-c2nnc(CSc3nc(-c4cccs4)c(-c4cccs4)[nH]3)o2)c1 525625169 BFMWDNWWWWHSJR-UHFFFAOYSA-N 447.570 6.081 30 20 IKED N#Cc1cc(F)c(C(=O)Nc2nc(-c3cc(Br)cs3)cs2)c(F)c1 531266497 NBNOZMCHMKMPQI-UHFFFAOYSA-N 426.267 5.036 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@@H](C)c1ccccc1Br 533567899 SGNOBOGIFBIAHG-GJZGRUSLSA-N 432.387 6.068 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3Cn3cnc4ccccc43)cc2)cc1 535972243 KCJKHVAHOVILGB-NRFANRHFSA-N 437.503 5.397 30 20 IKED CCc1nccn1C[C@H]1CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 537333422 DLYCLHAMVNQPGA-IRLDBZIGSA-N 447.970 5.451 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1cccc(NC(=O)c2ccccc2Cl)c1 537622078 OEWXUSHBKVGVSQ-ZCYQVOJMSA-N 429.951 5.864 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)Nc2cccc(NC(=O)c3ccoc3)c2)cc1 538024277 SBBINDNFUHAKLW-UHFFFAOYSA-N 436.471 5.392 30 20 IKED COc1ccccc1-c1nc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cs1 542015345 JPHJSADKOUVPHN-SFHVURJKSA-N 425.557 6.208 30 20 IKED COc1ccc2oc([C@@H](C)NCC(=O)N(CCC#N)c3cccc(Cl)c3)c(C)c2c1 542583751 XAGRTHMGBFAAJX-MRXNPFEDSA-N 425.916 5.001 30 20 IKED CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 555868132 XCWTWOBIXABJBS-LJQANCHMSA-N 430.470 5.216 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C1CCC(NC(=O)C(C)(C)C)CC1 556061746 QOOREHDFXRLOBF-UHFFFAOYSA-N 449.570 5.260 30 20 IKED COc1cc(CNC(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)ccc1C#N 557557076 OSQUBTBALPISBT-MRXNPFEDSA-N 445.363 5.079 30 20 IKED Cc1cccc(C)c1Oc1ccccc1NC(=O)C(=O)N[C@@H](CCCC#N)c1ccccc1 560283652 VCNQGWZLIIUKNO-QFIPXVFZSA-N 441.531 5.586 30 20 IKED N#CCCCn1cc(-c2nc(-c3cccc(NC(=O)c4ccco4)c3)no2)c2ccccc21 563478256 PPRKZQGZBGRZDL-UHFFFAOYSA-N 437.459 5.507 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 566802621 NAWULDHNWRVKFK-UHFFFAOYSA-N 430.335 5.165 30 20 IKED CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 568806511 ITOOACIAGGPBRI-QRQCRPRQSA-N 436.899 5.297 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(SC2CCCCC2)cc1C 577133745 CFBZAALKTOPPSG-UHFFFAOYSA-N 428.598 6.115 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590335863 HUVYJPUBOCLVCI-MBTKJCJQSA-N 440.281 5.876 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590336781 QGWPQGZIFRPFCQ-OCAPTIKFSA-N 426.254 5.439 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 590537337 GKXPCKBYXFVZCC-WWPVKYPJSA-N 438.955 5.550 30 20 IKED Cc1nc(CSc2ccc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)cc2)cs1 591587776 CADCAVSQEKOSOE-UHFFFAOYSA-N 448.598 5.991 30 20 IKED CCOC(=O)c1ccc(C#N)c(SCc2csc(-c3ccc(C(F)(F)F)cc3)n2)n1 591886442 DVDPPWHYYCZYNE-UHFFFAOYSA-N 449.479 5.565 30 20 IKED Cn1ccc2c(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)cccc21 608882568 RNFOABOPNFVUEB-UHFFFAOYSA-N 440.528 5.033 30 20 IKED CC(C)c1ccsc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 608890027 URLDURKTUYMCHH-UHFFFAOYSA-N 435.496 6.062 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(C2CC2)nn1-c1ccccc1 609061979 OLUTVUORTVYFOR-UHFFFAOYSA-N 448.526 5.761 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(CNC(=O)c2cccs2)cc1 609428477 JXJNBPKTBOUPOK-INIZCTEOSA-N 435.574 5.325 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)[C@@H](c3ccccc3)N3CCCCC3=O)cc2)c1 609432595 FWGUZYXNJWOOQY-RUZDIDTESA-N 425.488 5.043 30 20 IKED CCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H](C)c1cccc(C(F)(F)F)c1 609437100 PJAPXHXICDLULB-JKSUJKDBSA-N 435.515 6.715 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccccc3NC(=O)c3ccccc3)cc2)cc1 609501304 DIXNJWGWGOTLIU-UHFFFAOYSA-N 447.494 6.050 30 20 IKED COc1cc(CS[C@H](C)C(=O)NC2CCCCC2)ccc1OCc1cccc(C#N)c1 609741248 YATPLIBOUQKBGY-GOSISDBHSA-N 438.593 5.216 30 20 IKED C=CCN(C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 610169419 YABXJBQKPJKDJF-FUHWJXTLSA-N 441.459 5.319 30 20 IKED COc1cc(OC)c(C2CCN(c3c(C#N)cnc4ccc(Cl)cc34)CC2)c(OC)c1 610245760 RAPANGUIXXDELR-UHFFFAOYSA-N 437.927 5.170 30 20 IKED CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1 610296371 BKMPSGCHVSDNDS-JOCHJYFZSA-N 427.573 5.056 30 20 IKED CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 610321010 BXFQRFUFQGQPRN-UHFFFAOYSA-N 449.514 5.862 30 20 IKED CCOc1ccc(Br)cc1CN(C(=O)N[C@@H](C)c1cccc(C#N)c1)C1CC1 610408267 QTYCCRUVMWVLSE-HNNXBMFYSA-N 442.357 5.155 30 20 IKED N#CCC[C@H](NC(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccccc1 610972957 SEBQLEDWXUNOLM-SFHVURJKSA-N 430.430 5.220 30 20 IKED N#C[C@H](C(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1ccc2ccccc2n1 623584347 PIFKPUCHLHGZRY-SFHVURJKSA-N 447.420 5.202 30 20 IKED Cc1sc(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1-c1ccc(F)cc1 674784538 MOZCQLHRIIOHSJ-STQMWFEESA-N 439.396 6.066 30 20 IKED O=C(NCC1(c2ccc(F)cc2F)CC1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 677764056 LILPRVISHWFAIQ-QWRGUYRKSA-N 444.366 5.205 30 20 IKED Cc1oc(-c2ccsc2)nc1CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 727050107 QBGBOUSNPMNPLW-KRWDZBQOSA-N 430.514 5.126 30 20 IKED N#C[C@H](C(=O)CN1CCC[C@@H]1c1ccccc1C(F)(F)F)c1nc2ccccc2s1 728057892 CDHGCTVRTZSVEE-CRAIPNDOSA-N 429.467 5.328 30 20 IKED N#C[C@@H](C(=O)CSCc1cc(-c2cccs2)on1)c1nc2cc(F)ccc2s1 730416090 AHRBQTBPWJXYFL-ZDUSSCGKSA-N 429.523 5.262 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 731114705 VYOIODOFDHPKHH-ROUUACIJSA-N 446.617 5.049 30 20 IKED CC(C)OC(=O)C[C@@H](/N=C/c1cc(Cl)cc(Cl)c1O)c1ccccc1[N+](=O)[O-] 732772337 XLLQKDYWUZOIRS-YJCKXXIQSA-N 425.268 5.109 30 20 IKED COc1cc(COC(=O)c2csc(-c3ccoc3)n2)ccc1OCc1cccc(C#N)c1 735142274 QWSNGILBDQCPCE-UHFFFAOYSA-N 446.484 5.219 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)c1ccccc1OCC#N 741977395 HQFNZCCSYSGBPY-UHFFFAOYSA-N 442.494 5.886 30 20 IKED CC(=O)N(c1nc(/C=C2/C(=O)c3ccsc3S[C@H]2C)cs1)c1ccc(F)cc1F 742435812 ATDAISJYJQEWRZ-CYANDVJASA-N 448.541 5.928 30 20 IKED Cc1c(C(=O)/C=C/c2ccc(O[C@H](C)C#N)cc2)cnn1-c1ccc(Cl)cc1Cl 743056293 UQMXDDOLCQYUJF-AZWQULSGSA-N 426.303 5.675 30 20 IKED N#C[C@H](C(=O)C[C@@H](Cc1ccccc1)c1ccccc1)c1nc2ccccc2n1C(F)F 744038620 XGLDEGAYRGBOOM-NHCUHLMSSA-N 429.470 6.024 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)OCc3ccccc3NC(=O)c3ccco3)c2)cc1 744251302 MYHGXABGMZXUBC-UHFFFAOYSA-N 438.439 5.553 30 20 IKED O=C(/C=C\c1csc(COc2ccc(Cl)cc2)n1)c1cccc(N2CCOC2=O)c1 745626165 KGTGNZUIDOXSRE-TWGQIWQCSA-N 440.908 5.228 30 20 IKED O=C(/C=C/c1c(Cl)nc(Cl)n1-c1ccccc1)c1cccc(N2CCOC2=O)c1 745626312 MHAAIJPNYPWSIO-MDZDMXLPSA-N 428.275 5.032 30 20 IKED COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)Nc2ccccc2O[C@@H](C)C#N)c1 752807035 RMOCCPQMGHHPSS-FPDDQMOCSA-N 441.531 5.749 30 20 IKED CC(=O)N(c1nc(/C=C2/Sc3cc(C)ccc3C2=O)cs1)c1ccc(F)cc1F 752892970 ZGZWCMPILLZMEG-DJKKODMXSA-N 428.485 5.744 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc4cccc(Cl)c4o3)s2)cc1 753180847 JGOWYOZFAQMECR-UHFFFAOYSA-N 426.910 5.354 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ncc(Br)s2)cs1 756847336 QCPTZFIQTFLDJZ-VMPITWQZSA-N 448.367 5.251 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2nnc(S)o2)cc1 759856971 GXQZLCUAWFQQGY-UHFFFAOYSA-N 444.491 5.192 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 760087484 WJPDNADJQKVOIC-SCLBCKFNSA-N 438.380 5.633 30 20 IKED C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 760202143 PCWJBISJIWUXDO-KUHUBIRLSA-N 433.920 5.421 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3c(Cl)ccc(Cl)c3Cl)cc2F)c1 761660198 HEFHXKMRVHBVLP-UHFFFAOYSA-N 449.696 6.489 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cc3c(s2)CCC3)cs1 764432124 JTQYPHSGFNGETG-YFHOEESVSA-N 428.966 5.927 30 20 IKED N#C[C@@H](C(=O)c1sc(N2CCCC2)nc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 764757301 ZWNQSBUCTHIBTR-ZDUSSCGKSA-N 449.388 5.664 30 20 IKED COc1cc(NC(=O)c2cn(CCCC#N)c3ccccc23)ccc1NC(=O)OC(C)(C)C 767657538 JZGCGUGKNUPFAJ-UHFFFAOYSA-N 448.523 5.553 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)cc1C#N 768907487 VCZNCEAMQXGOFW-QGZVFWFLSA-N 438.381 5.081 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3cccc(F)c3F)CC2)cc1 771115223 PTLKVEDKGBBCPL-HSZRJFAPSA-N 431.486 6.032 30 20 IKED CC(C)Oc1ccc(NC(=O)COc2ccc(C3SCCCS3)cc2)cc1C#N 772148984 XLTIUUCVDRQNIK-UHFFFAOYSA-N 428.579 5.232 30 20 IKED N#C[C@@H](C(=O)c1ccnc(-n2ccnc2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 773982380 HPTQBUKPMXJVLQ-HNNXBMFYSA-N 440.315 5.188 30 20 IKED N#Cc1cccc(COc2ccc(NCc3ccc(-n4cncn4)c(F)c3)cc2Cl)c1 779594991 BSNFMVIEVWXLEG-UHFFFAOYSA-N 433.874 5.123 30 20 IKED CC[C@H](NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccc(OC)cc2)c(C)s1)c1ccccc1 787032011 OIPJJNNQFULMRC-YADHBBJMSA-N 432.545 5.322 30 20 IKED C#CCC1(C(=O)OCc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)CCCCC1 788215584 BSGCZCXATAHGEL-UHFFFAOYSA-N 430.957 5.498 30 20 IKED CSCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccsc1 790726284 QEDPCFYIGHJMSQ-SFHVURJKSA-N 447.651 5.078 30 20 IKED Cc1nc(SC(F)F)sc1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 793390320 OMWODVVQHUCEJM-UHFFFAOYSA-N 445.516 5.398 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\CC(C)(C)c3ccccc3C2=O)cs1 794967605 GLEZPTDSSMYHJV-FOWTUZBSSA-N 436.964 6.429 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cccc(C(=O)Nc2ccccc2)c1 796798483 MBFLDRYGWXVVTN-HSZRJFAPSA-N 433.467 5.053 30 20 IKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N(CC(F)(F)F)C2=O)cc1 799217182 KFVWTPNXMVPJPR-SFHVURJKSA-N 449.498 5.134 30 20 IKED Cc1sc(Br)c(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1C 799602536 UEUYUHMPLJWFPV-LBPRGKRZSA-N 446.153 5.395 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(Cl)c2ncccc12 802039925 BFEYICBVHNAWLR-HNNXBMFYSA-N 431.851 5.164 30 20 IKED N#Cc1c(NC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)n[nH]c1C1CC1 807701714 OZRNXXXWKCAMBY-UHFFFAOYSA-N 432.483 5.658 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCCC[C@@H]3c3nnc(C4CCC4)o3)c2)s1 812052837 JHZLOAIXDWTRIU-HXUWFJFHSA-N 447.564 5.374 30 20 IKED O=C1c2cccc3cccc(c23)C(=O)N1N=Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 812392686 TXPLXLGKKGEZBT-UHFFFAOYSA-N 427.441 5.107 30 20 IKED Cc1cc(C#N)cnc1C(=O)O[C@@H](C)c1sc(-c2ccccc2Br)nc1C 815966087 LTJHPRUUDBAZAV-ZDUSSCGKSA-N 442.338 5.374 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc([C@H]2CCC(=O)N(CC3CCCC3)C2)no1 856574225 XZVCUBRBLRFQPV-INIZCTEOSA-N 449.473 5.216 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)S1 915849060 RWWPKULQSWJDMH-ZHZULCJRSA-N 436.537 5.094 30 20 IKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C)c1 916207906 OLAJIONBPBUCSS-GOSISDBHSA-N 449.498 5.384 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc2sc3ccccc3c2s1 916903909 UJLCMKYXDSRLQE-KRWDZBQOSA-N 432.570 6.202 30 20 IKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN2CCC[C@H]2c2ccccc2C)c1=S 917482956 OOUVLXJZUFMCLV-NZQKXSOJSA-N 448.592 5.216 30 20 IKED N#C[C@H](Cc1ccccc1)SC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1 917906436 XMCLVPBZRVRXON-MWLMUJSGSA-N 427.504 5.437 30 20 IKED Cc1c(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)nnn1-c1ccccc1 920388834 IJBCZIHXBOYVPX-CCEZHUSRSA-N 442.906 5.378 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)C(=O)CC4)CCC2)cc1 1789458415 ZIJVOOGSRQGSRX-HSZRJFAPSA-N 442.559 5.332 30 20 IKED C#CC(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCc4c3[nH]c3ccc(Cl)cc43)CCC2)cc1 1791202384 BUPFXEAATNEAMS-FQEVSTJZSA-N 445.950 5.009 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3ccccc3)cc1)C2 1798339318 QMHHZSDZNBIOPX-QYOOZWMWSA-N 428.576 5.374 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Br)cc1C 1800360336 QKGDPQSSULURCK-REPLKXPHSA-N 447.417 5.002 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)[nH]n1 1814444128 UQGVZLTWSPMUDJ-RCLSDMTESA-N 426.605 5.221 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccccc2)[nH]n1 1819556657 JRSBUKVAFZFKIO-SJBKTWHCSA-N 434.584 5.198 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 1828827861 XYZVRRMKCNRUQF-JYFHCDHNSA-N 447.623 5.099 30 20 IKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3CCCCC3)CC2)c1Cl 1829688925 OWILOZJSIZAZLZ-QFIPXVFZSA-N 442.003 5.025 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832629359 OBSMUQZTQVCUER-RLWLMLJZSA-N 447.623 5.315 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(C)CCCC3)CC2)c1 1832629458 RBCBRGNCPJQPIP-RDPSFJRHSA-N 435.612 5.127 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3CCCCC3)CC2)c1 1832635182 WKOSTZCQXGDDIV-CJFMBICVSA-N 435.612 5.127 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccccc2Cl)cc1 10826559 BCGMOBWGQQKBNN-UHFFFAOYSA-O 445.942 5.909 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1F)=C(/S)Nc1ccc(C)c(F)c1 11083055 CEACUMSCBKCNAZ-UHFFFAOYSA-O 429.487 5.313 30 20 IKED O=C(/C(=C(/S)Nc1cccc(Br)c1)[n+]1ccccc1)c1ccc(F)c(F)c1 11084783 GPVWTMGEXLWECZ-UHFFFAOYSA-O 448.312 5.066 30 20 IKED Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)Nc3ccccc3C#N)s2)cc1Cl 21737669 WSKQLLBHHCDKKC-LBPRGKRZSA-N 429.958 5.235 30 20 IKED N#CCSc1ccccc1NC(=O)CSc1nn(-c2ccccc2)c(=S)s1 22149562 DJPJSTUSEIFFRU-UHFFFAOYSA-N 430.605 5.010 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)nc2ccccc2c1=O 23349145 ZZNAQQUCFUHTGY-ROUUACIJSA-N 443.572 5.094 30 20 IKED O=C(O)c1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)s1 27123276 ZKDWTDMMFAMNMX-QPJJXVBHSA-N 446.311 5.902 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1ccccc1 111198844 IBPNUMOJYSTOTK-UHFFFAOYSA-N 448.910 5.193 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1nc2ccccc2n1C(F)F 195652865 DIOFEFCHLJUTMB-ZDUSSCGKSA-N 446.244 5.414 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)cc1 303333269 KDGHPXAKYFJEAB-RUZDIDTESA-N 425.488 5.043 30 20 IKED N#Cc1ccc(NC(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)c(Cl)c1 426160749 KMWHTZMSUOHFAR-UHFFFAOYSA-N 438.742 5.732 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Sc1ccnc2cc(Cl)ccc12 426276746 HNLPEUXHBDIQHC-HUUCEWRRSA-N 442.009 6.259 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cnn1-c1cccc(Br)c1 430609911 JBSYTCYFOHRGTP-OAHLLOKOSA-N 443.370 5.187 30 20 IKED N#CCCC[C@@H](NC(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1 431875269 KZDHKIVGGQRTSY-HXUWFJFHSA-N 441.457 5.125 30 20 IKED COc1ccccc1-c1noc(C2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)n1 432871758 JNJYXRZRYUNKFX-UHFFFAOYSA-N 428.414 5.020 30 20 IKED CC(C)Oc1ccc(NC(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1C#N 435553783 JEDVMWLQMHQWKM-HXUWFJFHSA-N 431.496 5.155 30 20 IKED CC[C@H](C)Oc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 437262195 XJLJVFCXDVCIDF-INIZCTEOSA-N 447.466 5.244 30 20 IKED C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCN1Cc1ccccc1 438229217 VHBYJJGPBDNVJR-OAQYLSRUSA-N 440.547 5.479 30 20 IKED CCn1c(NC(=O)c2c(-c3ccc(Cl)c(Cl)c3)noc2C)nc2cc(C#N)ccc21 439086942 PLSDWXCBTVPWKB-UHFFFAOYSA-N 440.290 5.450 30 20 IKED N#CCC[C@@H](NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1 439663458 FQSZGDCJOJBJMP-LJQANCHMSA-N 429.467 5.533 30 20 IKED CC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C 443517814 FIIONVIIZPJYDL-INIZCTEOSA-N 444.343 5.874 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(CO)(Cc3ccccc3)CC2)cc1 444603237 RBVMMRKKWUIRJK-UHFFFAOYSA-N 442.584 5.167 30 20 IKED CCCN(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@@H](c1ccc(F)cc1)c1cccnc1 447459741 KQXHTEVADNJCFC-VWLOTQADSA-N 440.478 5.389 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(NC(=O)c4ccccc4)nc3)c2)c1 460265649 RDHMNSRCUUOQPB-UHFFFAOYSA-N 448.482 5.037 30 20 IKED C=C(C)Cn1c(N2CCC[C@@H]2c2csc(C)n2)nnc1C(F)(F)Oc1ccccc1 460395425 STKWBKXWRSREBE-GOSISDBHSA-N 431.512 5.089 30 20 IKED C=C(C)Cn1c(CCCc2cccs2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 460589304 ZYXVERPYQKTGKV-VPTFNQTCSA-N 442.654 5.026 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N(C)S(=O)(=O)c2cccc(Cl)c2C#N)cc1 462503681 RUTIISUKWDZLRO-INIZCTEOSA-N 440.952 5.269 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc1NC(=O)c1ccccc1F 464405820 LSQTUHOWNCKZSK-KRWDZBQOSA-N 441.384 5.290 30 20 IKED Cn1c([C@H](NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c2ccccc2)nc2ccccc21 465821558 UEKWTBURCCAVMW-QIGHUWCUSA-N 449.558 5.144 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 467047385 BJMGODBTVCFCBG-UHFFFAOYSA-N 446.454 5.421 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N(c3ccccc3)C3Cc4ccccc4C3)cc2)nc1 470780851 UCNFEASTLQISPH-UHFFFAOYSA-N 431.495 5.560 30 20 IKED COCCN(Cc1ccc(C)o1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 470797066 NZFVVQVENAXEHH-JOCHJYFZSA-N 437.927 5.577 30 20 IKED N#CC[C@H](CC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 475534296 UOUYIVUDEITIEY-DYESRHJHSA-N 444.362 5.401 30 20 IKED Cc1ccccc1-c1nc(C)c(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)s1 478536387 FZCGYAXXYKYNJA-IBGZPJMESA-N 440.553 5.912 30 20 IKED CCN(CCOC)C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 481436427 FIDSYRQREJXNTD-LBPRGKRZSA-N 440.306 5.006 30 20 IKED COc1ccc([C@@H](CNC(=O)Nc2ccc(F)c(C#N)c2)c2c[nH]c3ccccc23)cc1 481738985 KSWBVSMFEBQUCN-OAQYLSRUSA-N 428.467 5.141 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 482209994 MWRPGELWOZIWDA-ICSRJNTNSA-N 432.511 5.949 30 20 IKED C=C(C)[C@@H](NC(=O)N(Cc1c(C)noc1C)Cc1c(C)noc1C)c1ccc(F)c(F)c1 483295767 ZHYVHLFGGNFHQM-JOCHJYFZSA-N 444.482 5.204 30 20 IKED CC(C)(C#N)c1ccccc1CNc1ccc(NC(=O)[C@@H]2CCCO2)cc1C(F)(F)F 486442839 QHKLWZGKUDSAMK-FQEVSTJZSA-N 431.458 5.236 30 20 IKED COc1ccc(OCCCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 488013066 FZMTWFDVJMMUDX-UHFFFAOYSA-N 432.495 5.094 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N2CCSc3ccccc32)nnc1-c1ccccc1C 488880336 QJIBORMEFTZMKO-KRWDZBQOSA-N 436.606 5.059 30 20 IKED C=C(C)Cn1c(S[C@@H](C(=O)OC)c2ccc(Cl)cc2Cl)nnc1-c1ccncc1 489399543 ULFFNYQJQNJABX-QGZVFWFLSA-N 449.363 5.229 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3c(C)cc(C)cc3Cl)o2)cc1 489802533 CRELFBDMQUMPCD-OAHLLOKOSA-N 443.956 5.691 30 20 IKED C[C@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1nc(C(F)(F)F)cs1 490038561 UDOYEFQDHHQYBC-MNOVXSKESA-N 442.532 5.042 30 20 IKED N#C[C@@H](NC(=O)CCC(=O)c1csc2ccccc12)c1cccc(Br)c1 496227089 RXXKOCAVSWPQEQ-QGZVFWFLSA-N 427.323 5.008 30 20 IKED C=CCN(Cc1cccs1)[C@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 499049456 ZWKNSJQGAKUSFS-GOSISDBHSA-N 449.576 5.024 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)Cc2csc3ccccc23)cc1C 502195942 GVIYHYPSWGPKJH-UHFFFAOYSA-N 428.561 5.568 30 20 IKED C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CC=C(c2ccc(C#N)cc2)CC1 502551689 CEEFGKNPEOHDAF-AWEZNQCLSA-N 425.319 5.765 30 20 IKED Cc1ccc(CN(Cc2ccco2)C(=O)Nc2ccccc2S[C@@H](C)CC#N)s1 503221294 VCVYIFGLVYXLSW-KRWDZBQOSA-N 425.579 6.278 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 504797349 QBBQDOLTDIAUDE-OAHLLOKOSA-N 433.449 5.152 30 20 IKED C[C@H](Nc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1Cl)c1ccccc1 505970890 OUEDTTYKAYTYAX-UPCLLVRISA-N 441.959 5.713 30 20 IKED Cn1c(-c2ccc(CSc3ccc(Cl)cc3)cc2)nnc1N1CCC(C)(C#N)CC1 508563245 OPCPKDLFIOGQGZ-UHFFFAOYSA-N 438.000 5.558 30 20 IKED C=CCn1c(COCc2ccccc2)nnc1N1CCC(c2c[nH]c3cc(F)ccc23)CC1 508932536 UIXSSMIEQHUTFR-UHFFFAOYSA-N 445.542 5.185 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 512514018 LINQUZQRNMOWKW-HNNXBMFYSA-N 449.370 5.259 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1 512545060 LEPBZZCFVSSEPE-UHFFFAOYSA-N 439.471 5.585 30 20 IKED CC[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(Cl)s1 512719498 CNAMXJOBCSGOGW-IBGZPJMESA-N 439.968 6.319 30 20 IKED N#Cc1c(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)sc2c1CCCCC2 514428526 PXJSZJGPIOJEMJ-UHFFFAOYSA-N 435.574 5.132 30 20 IKED CCN(Cc1ccccc1Br)C(=O)Nc1ccccc1S[C@@H](C)CC#N 519780632 UUORSCPSRTUGIU-HNNXBMFYSA-N 432.387 5.897 30 20 IKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 520889740 QXODWSPMNINFPQ-NRFANRHFSA-N 432.593 5.191 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCN(CCCc2ccccc2)CC1 521259055 HQXFPLIQIHQNDA-NRFANRHFSA-N 436.625 5.111 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1ccc(OC(F)F)cc1 522962582 KKYIOLWWRGJPMZ-LSDHHAIUSA-N 436.549 5.973 30 20 IKED Cc1ccccc1C1(CNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CCOCC1 523162312 QVWMHKWCOMHIMD-UHFFFAOYSA-N 425.532 5.089 30 20 IKED CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1 525135443 POVVSRMHEMTEPD-UHFFFAOYSA-N 445.950 5.762 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 525243857 NKZTWBFAQJBCDG-KBPBESRZSA-N 426.383 6.165 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2cnc(C3CC3)nc2)cc1Cl 533765266 GDASOKVRQIDNIX-NRFANRHFSA-N 431.927 5.027 30 20 IKED COc1cc(F)c(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1OC 534168172 XURTWZZVGONZJY-UHFFFAOYSA-N 426.831 5.413 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)NCCc2nnc(-c3ccccc3)o2)cc1Cl 534947170 SPCZXEJZQXYQIT-UHFFFAOYSA-N 444.878 5.026 30 20 IKED N#CC1(CCCSc2nnc(COc3ccccc3)n2-c2ccccc2)CCOCC1 538608413 RFXJEBULFAGQRC-UHFFFAOYSA-N 434.565 5.039 30 20 IKED C[C@@H](NC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 542060900 JPDFEKVNVXUQDA-OAHLLOKOSA-N 440.469 5.687 30 20 IKED CCc1cc(O)nc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1 542123726 RTMCUFVTQKZBDS-AWEZNQCLSA-N 447.301 5.175 30 20 IKED Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)N3CCC(CC#N)CC3)cc12 543833219 KYIQOPTUGCLVDH-UHFFFAOYSA-N 447.391 5.527 30 20 IKED CCOc1cccc2cc([C@@H](C)NCC(=O)Nc3ccccc3SC[C@@H](C)C#N)oc12 544483132 RUQLMPCFOFHNTK-DLBZAZTESA-N 437.565 5.373 30 20 IKED C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 553172679 YKWLDOQULDVLTQ-AVRDEDQJSA-N 444.535 5.022 30 20 IKED CC(C)c1noc(Cc2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cc2)n1 554941644 QOZLZTXXLWEALU-UHFFFAOYSA-N 439.475 5.095 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N(C)Cc1nc(C(F)(F)F)cs1 558962352 PMDDLNGLQWLVEG-UHFFFAOYSA-N 444.486 5.181 30 20 IKED COc1cc(OC)c(OC)cc1NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 574433282 VSQHSUXAEAGKQV-MRXNPFEDSA-N 431.492 5.134 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1 579991253 HMMWGDFYIWGKTJ-FQEVSTJZSA-N 439.368 5.503 30 20 IKED C=CCSc1ccccc1C(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 580372122 IVZAYUDVISWHAD-UHFFFAOYSA-N 433.455 5.050 30 20 IKED N#CCCn1ncc(C(=O)Nc2cccc(Cl)c2OCC(F)F)c1-c1ccccc1 582990352 QMUWKLTZZRYCII-UHFFFAOYSA-N 430.842 5.013 30 20 IKED N#CCCN(C(=O)CSc1nc2ccc(C(F)(F)F)cc2[nH]1)c1cccc(Cl)c1 603937963 CSTSZJYLHUMZPM-UHFFFAOYSA-N 438.862 5.274 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1sc(-c2ncccn2)nc1C 603957714 GCIWOWTWGHSTRS-UHFFFAOYSA-N 443.507 5.075 30 20 IKED C=CCCCCCN(C)C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 606881075 BGCKHCANNQVGSG-UHFFFAOYSA-N 433.346 5.042 30 20 IKED CC(C)[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1nc(C2CC2)no1 609047412 ZVTBQZHRUUPKFA-JOCHJYFZSA-N 445.523 5.111 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(C(=O)NC4CCCCC4)cc3)o2)cc1 609060146 UIJJIHVMHJYSCL-UHFFFAOYSA-N 443.503 5.045 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)Nc1cc(C#N)ccc1OC(F)F 609207562 DLRHDFYFAFNWOY-LBPRGKRZSA-N 446.454 5.613 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 609430215 CDBUUGZIOZUZER-DLBZAZTESA-N 440.544 5.103 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cccc(Oc3cnccn3)c2)c1 609723056 JPJLFLKCPXAONB-UHFFFAOYSA-N 442.862 5.839 30 20 IKED C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ncc(-c2ccccc2)o1 610068565 NLPOZVXDHKYPRJ-QGZVFWFLSA-N 425.513 5.855 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CC(Cc3ccc(C(F)(F)F)cc3)C2)o1 610660528 TUXCSWZSIYBNFS-UHFFFAOYSA-N 440.421 5.064 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(c4ccccn4)CC3)cc2Cl)c1 611094950 JDUPJQOWIAYTHZ-UHFFFAOYSA-N 446.938 5.597 30 20 IKED CN(C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc(C#N)cc1F 615912513 YHILMMOMZTZIFA-UHFFFAOYSA-N 433.270 5.040 30 20 IKED CCc1c(NC(=O)N[C@@H](C)c2cccc(C#N)c2)cnn1-c1cccc(C(F)(F)F)c1 616884291 XOGKZGHSFJOAJD-AWEZNQCLSA-N 427.430 5.208 30 20 IKED COC[C@H](NC(=O)c1c(F)cc(C(F)(F)F)cc1F)c1cccc(C(F)(F)F)c1 643542663 OMKRJOZDJKFGPJ-AWEZNQCLSA-N 427.291 5.120 30 20 IKED O=C(N[C@H](c1cccc(F)c1)c1ccccn1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 677993730 PGHNGDRHFNVJQN-JKIFEVAISA-N 449.370 5.082 30 20 IKED Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)c12 679089271 KAPYMSBFXFTBHB-HXUWFJFHSA-N 444.498 5.040 30 20 IKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1cc(C)ccc1C 726571291 QWXIHGIUCFWQEU-UHFFFAOYSA-O 448.999 6.002 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@H](c3ccccc3)CC2)c1=S 727430953 ONFRJOTWZFAOFA-NRFANRHFSA-N 434.609 5.503 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccccc2Cl)n1 727626760 FJYKXRIQJMPVKT-QGZVFWFLSA-N 437.952 5.549 30 20 IKED CCCCc1oc2ccccc2c1/C=C\C(=O)N[C@@H](C#N)c1cc(OC)c(OC)c(OC)c1 727646791 FAMZGPHAXSPBHF-CBUFDYBVSA-N 448.519 5.195 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3F)cc2Cl)c1 727999708 PTMOLALEVDTWKT-UHFFFAOYSA-N 425.803 5.090 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1c(F)cccc1F 728062794 UJCNWQXPOUKASL-AWEZNQCLSA-N 441.865 5.508 30 20 IKED Cc1cc(C)c(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(Cl)c1 728174887 BIEFIUXJYOWPSA-UHFFFAOYSA-N 439.943 6.356 30 20 IKED C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 728466064 OIAVDKXXCUVGRN-FQRUVTKNSA-N 447.538 6.139 30 20 IKED N#CCOc1ccc(CNC(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)cc1 730218676 PFEFJSLQCAGRBQ-JOCHJYFZSA-N 440.927 5.531 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)cc1 730944015 PQOAKCLLXUQJIW-AVRDEDQJSA-N 444.560 5.112 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C(F)(F)c1cccc(Cl)c1 731075705 IKTVNCXJBPLSCP-CYBMUJFWSA-N 438.883 5.008 30 20 IKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3ncoc3C(C)C)c2C#N)C1 732384198 OUFBDYOJQZUTIY-CQSZACIVSA-N 443.569 5.068 30 20 IKED CC[C@H](C#N)Oc1cccc(CNCc2ccc(-c3ccccc3Br)s2)c1 733800868 KLHISNHZPBHMDK-QGZVFWFLSA-N 441.394 6.148 30 20 IKED C[C@@H](OC(=O)c1cccc(COc2ccccc2C#N)c1)c1nnc(-c2ccccc2)o1 734200963 LASIUHWZCKKFFJ-QGZVFWFLSA-N 425.444 5.105 30 20 IKED CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 736956832 YSHPKAHQMSGRBC-CQLNOVPUSA-N 433.939 5.893 30 20 IKED Cc1noc(CSc2ccccc2C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)n1 739594203 FLPOVNYIXQMTNG-UHFFFAOYSA-N 446.557 5.201 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)OCc2nnc(-c3cccc(F)c3)o2)cc1 741820052 QHMRIWPOYQXBDF-UHFFFAOYSA-N 445.475 5.397 30 20 IKED Cc1cc(/C=C/C(=O)c2cnn(-c3ccc(C#N)cc3)c2C)cc(C)c1OCc1ccccn1 741845589 YZONJOHYKBMPNN-FMIVXFBMSA-N 448.526 5.539 30 20 IKED O=C(/C=C/c1cnc(-c2ccccc2)s1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741851956 GSKFBESXAITLIV-DHZHZOJOSA-N 437.464 5.042 30 20 IKED C/C(=C\C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 742570729 CMGDPDUTHRZEHD-UXTPFJKYSA-N 433.314 5.698 30 20 IKED N#C[C@@H](C(=O)NC1CCCC1)C(=O)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1 744038614 XETHALKXVZBUME-HXUWFJFHSA-N 447.387 5.667 30 20 IKED N#Cc1cc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)c(Cl)c([N+](=O)[O-])c1 746482291 QOFHMJQEHKYUGM-UHFFFAOYSA-N 449.879 5.286 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 747205299 RHHWNKFBYMRICZ-JOCHJYFZSA-N 449.441 5.748 30 20 IKED COc1ccc(/C=C2/SC(=S)N(c3cccc(C)c3C)C2=O)cc1OCCCC#N 747473074 OBCMJNCWQCWGOY-KGENOOAVSA-N 438.574 5.400 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)cc1 748298606 YFXRJZSKDBVLIG-UHFFFAOYSA-N 441.512 5.005 30 20 IKED C=CC[C@H](NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1)c1ccncc1 748636359 VLRBUYUXVUFABJ-FCHUYYIVSA-N 430.552 6.024 30 20 IKED Cc1ccc(NC(=O)Cc2nc(CON=C(c3ccccc3)C(F)(F)F)cs2)cc1 751954406 DBFJWPZXPYAMAB-UHFFFAOYSA-N 433.455 5.116 30 20 IKED COc1ccc(/C=C(/C)C(=O)NC2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F 754106562 ZZHHBFDFGBAUKC-KKTSYGRDSA-N 427.360 5.263 30 20 IKED C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 754159655 ZYMAMHZGLUGGAD-FBMGVBCBSA-N 427.460 5.282 30 20 IKED N#Cc1cccc(COc2ccc(NCC(=O)Nc3ccnn3C3CCCC3)cc2Cl)c1 754307859 WAZYYWYIUMNKQP-UHFFFAOYSA-N 449.942 5.153 30 20 IKED N#CCOc1cccc(CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)c1 760404390 TYFXAEJWPBTJLU-QHCPKHFHSA-N 425.315 5.344 30 20 IKED CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 765590048 PXOXFCHLFLERIL-JXFKEZNVSA-N 435.505 5.172 30 20 IKED Cc1c(-c2cc(COC(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)on2)cnn1C 767588327 LWKJVXBVHVIQAC-UHFFFAOYSA-N 448.866 5.058 30 20 IKED C[C@H](N[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21)c1ccc(C#N)cc1 769698772 WNFQIEBIEPMVIF-MNDLBQGCSA-N 433.552 5.112 30 20 IKED C#CCOc1ccccc1NC(=O)N1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 772379107 BXLVDEXGQLKPQO-GOSISDBHSA-N 447.560 5.242 30 20 IKED N#C[C@H]1CSCCN1Cn1nc(Nc2ccc(Oc3ccccc3)cc2)sc1=S 774642669 OGSALJNCSGJWDQ-INIZCTEOSA-N 441.607 5.108 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)nn1-c1ccc(Cl)cc1Cl 776519288 ZTXOODQCGFWVAH-OAHLLOKOSA-N 447.709 5.102 30 20 IKED Cc1cc(C(=O)CCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(C)s1 783352626 BDBDHEXCROVSCN-HXUWFJFHSA-N 446.528 5.468 30 20 IKED CCCc1c(NC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)cnn1-c1cccc(C#N)c1 784712311 FPHNRNGMOXGMMT-NRFANRHFSA-N 443.334 5.065 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(N(C)C(=O)c2ccncc2)cc1 789457043 QTBZPZPYRTZSNB-UHFFFAOYSA-N 442.563 5.532 30 20 IKED C=CC[C@@]1(C(=O)Nc2cc(-c3nc(C)co3)ccc2C)CCCN1C(=O)OC(C)(C)C 792539649 TVZXFQALLDICQV-DEOSSOPVSA-N 425.529 5.243 30 20 IKED COc1ccccc1-c1ncc(/C=C2\CCc3nc(-c4ccc(F)cc4)sc3C2=O)cn1 792885930 XZQREBPTPZQFHR-SFQUDFHCSA-N 443.503 5.627 30 20 IKED CC(C)(C)OC(=O)N1CCC(n2cc(N[C@H]3CCCCc4cc(C#N)ccc43)cn2)CC1 795815178 ZFZJJFPFIXQBOI-QHCPKHFHSA-N 435.572 5.206 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(C(=O)Nc3ccccc3)c2)cc1 796792622 JZPAIIDKZDDURZ-UUOWRZLLSA-N 439.515 5.414 30 20 IKED C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 797615436 HETQPZGWSNCWDS-QRWLVFNGSA-N 435.911 5.159 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)[C@H](F)c1ccc(C(F)(F)F)cc1 802123979 YEBWZKZZQAHDHP-MRVPVSSYSA-N 436.192 5.430 30 20 IKED CC(C)(C(=O)OCc1ncc(-c2ccccc2Br)o1)c1cc(F)cc(C#N)c1 803924695 MLDVANCJCZSJFU-UHFFFAOYSA-N 443.272 5.136 30 20 IKED CC(C)c1ccc2occ(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2c1 805853011 DRIRIXYNPYSHMV-QGZVFWFLSA-N 428.460 5.832 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 806402280 ZCTFMFBBZMCGGY-RDTXWAMCSA-N 435.471 5.318 30 20 IKED C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 809888288 SSFBVPKNTFBFJC-RXVVDRJESA-N 428.367 5.008 30 20 IKED CC[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(C(F)(F)F)cc1O 810239755 ZEPIDSKPRVLUEV-IBGZPJMESA-N 431.458 5.557 30 20 IKED N#C[C@H](C(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1cc(C(F)(F)F)ccn1 813211301 HVXDBAPIEKCWKP-KKSFZXQISA-N 448.803 5.889 30 20 IKED Cc1ccccc1-c1cc(C(=O)Nc2nc(Cl)c(C#N)s2)c2cnn(C(C)C)c2n1 813370689 OZWCATYCSDNSHW-UHFFFAOYSA-N 436.928 5.222 30 20 IKED C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2cc(Br)cs2)no1 904397752 JFVKYQVOQBVLNX-JTQLQIEISA-N 434.743 5.269 30 20 IKED Cc1nn(C)c(C)c1CCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103324 SRFBXANXCMQTQP-MRXNPFEDSA-N 433.364 5.276 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 915353496 USNBOHGNPSLLNG-DNQXCXABSA-N 428.536 5.284 30 20 IKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 915728877 DAPFJVLFEXAOBZ-LOSJGSFVSA-N 425.532 5.184 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccc(Br)cc3)s2)c1 916897221 KZNRSESAPUZHQA-QGZVFWFLSA-N 439.334 5.447 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCCOc1ccc(Cl)c(C)c1 916901701 AFWVPNDQDWVAAP-MRXNPFEDSA-N 449.334 5.125 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)c(C)n1[C@H](C)c1ccccc1 916937704 GMYACIAEFLABMW-QRWLVFNGSA-N 437.902 5.468 30 20 IKED CCc1nc2ccc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2nc1CC 916943456 XEZXUNKRHROAAF-INIZCTEOSA-N 441.318 5.023 30 20 IKED COc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1Cl 916976510 QFXKUGVDXDUXSZ-MRXNPFEDSA-N 431.344 5.935 30 20 IKED CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(OCc2ccccc2)cc1 917029445 IUYYYASDFMHQSJ-UHFFFAOYSA-N 430.533 5.094 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCc1nnc(-c2ccc(Cl)cc2Cl)o1 920540834 RORJTLPYAACWSA-LJQANCHMSA-N 446.290 5.062 30 20 IKED N#C[C@H](C(=O)CCCc1ncc(-c2ccccc2)o1)c1nc(-c2c(F)cccc2F)cs1 920807074 XJGHMDXDKSSIJP-MRXNPFEDSA-N 449.482 5.942 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4nc[nH]c34)CCC2)cc1 1786102871 ATVXXHHQMVXCKQ-UHFFFAOYSA-N 428.536 5.079 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)COCc3ccccc3)CCC2)cc1 1786103850 JHFYLQQBXWFSMR-UHFFFAOYSA-N 432.564 5.106 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3cc4ccccc4o3)CCC2)cc1 1786678962 MHBJCQHTHAGZPC-OUKQBFOZSA-N 446.572 5.499 30 20 IKED Cc1ccc2cc(C(=O)Nc3ccc(C4(NC(=O)[C@H](S)C(C)C)CCC4)cc3)ccc2n1 1789030670 UUOYXQIWLHMFTM-HSZRJFAPSA-N 447.604 5.245 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4cnccc4c3)CCC2)cc1 1789454324 VUHFDVDLCRJMKL-RUZDIDTESA-N 439.559 5.751 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccccc3OC)CCC2)cc1 1789458200 PGTMANDRNSQUHD-QHCPKHFHSA-N 432.564 5.140 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)CCCC4=O)CCC2)cc1 1791248218 WIBJHAJRQTVDTA-GOSISDBHSA-N 430.548 5.166 30 20 IKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)C[C@H]4C[C@@H]5CC[C@H]4C5)cc3)CCC2)c1 1791325289 GNDVVWKFZPPGMS-YZGWKJHDSA-N 445.538 5.271 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc[nH]4)CCC3)cc2)c1 1792122609 OMNWFUZNFNDRTF-IBGZPJMESA-N 440.547 5.022 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4)CCC3)cc2)c1 1792125400 YLYLGJPYXYMTOK-LJQANCHMSA-N 448.526 5.247 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](CC)c2ccccc2)[C@H]1c1cccnc1 1802497504 PJEASVZUILVKBQ-SDHOMARFSA-N 447.623 5.274 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CC2CCCC2)CC1 1826265682 UPDVVHMIKCJCNE-DEOSSOPVSA-N 444.736 5.238 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(C)ccc23)CC1 1832961761 MMBSVMBEOWAFIH-AAPLMEDBSA-N 447.623 5.321 30 20 IKED COc1cccc(NCc2nnc(SCc3ccccc3C#N)n2C2CCCCC2)c1 10073127 WPFLQOWDILFTMJ-UHFFFAOYSA-N 433.581 5.568 30 20 IKED COc1cc(C(=O)Nc2sccc2C#N)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 14626532 XJXREOLEQOOIKV-UHFFFAOYSA-N 429.841 5.235 30 20 IKED Cc1nc(SCC(=O)N(CC#N)c2ccccc2)c2cc(-c3ccccc3)sc2n1 23422021 LILDFCCKQQPWHC-UHFFFAOYSA-N 430.558 5.316 30 20 IKED Cc1ccc(C)c(N/C(S)=C(\C(=O)c2cc(C)[nH]c2C)[n+]2ccc(C(C)(C)C)cc2)c1 23603721 HSCOYROMFUFRHR-UHFFFAOYSA-O 434.629 5.884 30 20 IKED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)Sc2nnc(-c3ccc(C(C)(C)C)cc3)o2)CC1 26498315 VBBAZCOIRYIGHJ-VTPMOLMCSA-N 440.613 5.446 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCc1c(C(=O)OCC)oc2ccccc12 32788785 HKGHNVAYRPLTDZ-UHFFFAOYSA-N 433.533 5.270 30 20 IKED C=CCn1c(SCCC(=O)Nc2ccccc2OCC)nnc1-c1ccc(Cl)cc1 59794973 FTOVPVCJTLBLLR-UHFFFAOYSA-N 442.972 5.304 30 20 IKED Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cccc(OCC#N)c3)[C@@H]2c2cccs2)cc1 107966436 UBCXRNSGUQIWEF-ZJSXRUAMSA-N 445.544 5.082 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc3ccccc3c2)nnc1-c1ccccc1F 195568841 ZKZIDZOBBRARJG-QGZVFWFLSA-N 446.551 5.393 30 20 IKED C[C@H]1CCc2c(sc3nc([C@H](C)Sc4nc5c(cc4C#N)CCCC5)nc(O)c23)C1 302980959 TZFVWKXTIGSQHS-STQMWFEESA-N 436.606 5.520 30 20 IKED Cc1c(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cnn1Cc1ccccc1 303038438 VPTRMNYPHWXCDP-UHFFFAOYSA-N 438.506 5.093 30 20 IKED Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)C2)cc1 303380902 VXWLFACPAUOOQF-QFIPXVFZSA-N 439.515 5.150 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)cc1 303405912 SJOZIPQUCRCJES-UHFFFAOYSA-N 435.549 5.556 30 20 IKED N#CCCC[C@H](NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1)c1ccccc1 431927223 RWELXKODPSBGKD-DEOSSOPVSA-N 439.003 5.286 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1Cc2ccccc2O[C@H](C)C1 432875957 YWKIXYKTHRPCIG-LJQANCHMSA-N 427.504 5.261 30 20 IKED N#Cc1ccsc1C(=O)Nc1nc2cc(Br)ccc2n1Cc1ccccc1 437009628 KAGDRPZWXNFNGL-UHFFFAOYSA-N 437.322 5.033 30 20 IKED CCn1c([C@@H]2CCCN2CC(=O)Nc2ccccc2S[C@@H](C)CC#N)nc2ccccc21 437771499 FQPWMNWIPQSLRL-AVRDEDQJSA-N 447.608 5.226 30 20 IKED CO[C@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1cccc(Cl)c1 437977940 NPVSLUYENUXDDX-XMMPIXPASA-N 449.938 5.608 30 20 IKED N#Cc1cccnc1OC1CCC(NCc2cc(Cl)ccc2OCc2cccnc2)CC1 438468360 JSSWPBQBHREUPK-UHFFFAOYSA-N 448.954 5.060 30 20 IKED N#Cc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(Br)c2)cc1C(F)(F)F 438641363 LWOVGNBHCXCVLR-QGZVFWFLSA-N 438.247 5.709 30 20 IKED N#Cc1ccc(CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(OC(F)F)c1 439546014 UTTDPCUOJNDSJD-UHFFFAOYSA-N 434.777 5.167 30 20 IKED C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nc(Cc2ccccc2)no1 439563941 WQVYGDSEDXKGPA-MRXNPFEDSA-N 430.895 6.151 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1ccc(Oc2cccc(C#N)c2)cc1 439600729 YDQJCAKIFVSLID-IBGZPJMESA-N 440.503 5.106 30 20 IKED C=CCC[C@@H](NC(=O)C1CCN(C(=O)N(CC)CC)CC1)c1ccc(C(F)(F)F)cc1 441568396 QMMDNZMZSVNPFE-HXUWFJFHSA-N 439.522 5.003 30 20 IKED N#Cc1cccc(/C=C/c2nc(CC(=O)Nc3nc(-c4ccccc4Cl)cs3)no2)c1 445426899 MNIVWVRGZXQPIT-CMDGGOBGSA-N 447.907 5.070 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(Oc2ccncc2C)CC1 446124221 ZAGBCEVOEMKXNS-UHFFFAOYSA-N 442.519 5.438 30 20 IKED N#CCCN(C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)C12CC3CC(CC(C3)C1)C2 448342301 PVWAQCGFQWOJBX-UHFFFAOYSA-N 437.490 5.477 30 20 IKED C=C(C)Cn1c(C2CCC2)nnc1N(CCC)Cc1nnc(-c2ccccc2Cl)o1 460813561 ZOYKQXYPVHUUMG-UHFFFAOYSA-N 426.952 5.242 30 20 IKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463434114 ZFQRWPOGJFZVGK-UHFFFAOYSA-N 446.225 5.904 30 20 IKED N#C[C@H](NC(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)c1ccccc1Cl 463816166 CHKNHOYJURFFLQ-FQEVSTJZSA-N 432.842 5.191 30 20 IKED Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 464415907 CHTNDKGFQLZGRI-CQSZACIVSA-N 438.331 5.308 30 20 IKED COc1ccc(-n2c(SCCCSCC#N)nnc2-c2ccccc2)cc1Cl 466609648 ULQJTJBGQBWEFX-UHFFFAOYSA-N 430.986 5.335 30 20 IKED Cc1nc(COc2ccc(CNc3ccc4c(c3)CCC(=O)N4CCCC#N)cc2)cs1 468871134 HHFYQOSSHZHEKK-UHFFFAOYSA-N 446.576 5.226 30 20 IKED CSc1nc(C(C)(C)C)nc(C)c1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 471232445 XVBGUOHKCLCWNV-UHFFFAOYSA-N 447.564 5.424 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[C@@]3(C2)OCc2ccccc23)c1 471597958 SMZWTRIGPVISTH-VWLOTQADSA-N 430.891 5.276 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(O)ccc1C(F)(F)F 475586720 XOXQOVZLDTYAOJ-UHFFFAOYSA-N 426.394 5.422 30 20 IKED O=C(c1cc(F)c(Br)cc1Cl)N1CCC(C(F)(F)F)(C(F)(F)F)C1 476058760 DKDYOURSGAJOPZ-UHFFFAOYSA-N 442.556 5.199 30 20 IKED COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)C[C@@H](CC#N)c1ccccc1)CCO2 476111058 ONPOPGLEVFGFDC-BVAGGSTKSA-N 440.543 5.635 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1 476787656 PPXYFGFWPOTBGO-OAHLLOKOSA-N 429.358 5.058 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(Cc4ccccc4F)s3)n2)cc1 478081592 VXFZIKSLUAOGFH-KRWDZBQOSA-N 433.533 5.795 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(Cc4ccccc4F)s3)n2)cc1 478542252 YIXVCZRUXXKKEW-QGZVFWFLSA-N 444.516 5.358 30 20 IKED Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 480025851 YPVPKINZTVYZJO-UHFFFAOYSA-N 441.531 5.683 30 20 IKED COc1ccc(C(=O)Nc2ccc(C(=O)[C@H](C#N)c3nccc4ccccc34)s2)cc1 483210579 DKXYBEHVWOLLSO-LJQANCHMSA-N 427.485 5.047 30 20 IKED CCN(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@H](C)Cc1ccccc1C(F)(F)F 484702446 KVBCDQWUCNRPDN-OAHLLOKOSA-N 427.426 5.325 30 20 IKED O=C(CSc1ccc(C(F)(F)F)nn1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 488783073 OFHOOQFIWCLPDN-UHFFFAOYSA-N 449.298 5.264 30 20 IKED O=C(N[C@@H]1CCCC(F)(F)C1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 488993506 NUMARVFCGLVHDD-LLVKDONJSA-N 441.322 5.218 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(F)c(OC(F)F)cc2F)cc1C 490270018 IQGGGFUWCIVSGV-UHFFFAOYSA-N 446.404 5.213 30 20 IKED COc1cc(CNCc2cc(C#N)cs2)cc(Br)c1OCc1ccccc1 498376034 WVNKGCSZMOOVGI-UHFFFAOYSA-N 443.366 5.260 30 20 IKED Cc1cc(-c2cc(C(=O)N(C)Cc3cccc(C#N)c3)c3cnn(C(C)C)c3n2)c(C)s1 498484065 DWGLREHBZCBSLR-UHFFFAOYSA-N 443.576 5.501 30 20 IKED C[C@@H](NC(=O)NCC(C)(C)CCC#N)c1nc(-c2ccc(Br)cc2)cs1 499538626 ILUHWQJBGDHYPY-CYBMUJFWSA-N 435.391 5.263 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 500299090 QDHNZVFEUCLEEW-SANMLTNESA-N 439.559 5.104 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cccc(OCc2cn3ccccc3n2)c1 500300633 ZRYJBGFTNUHPJE-UHFFFAOYSA-N 438.531 5.083 30 20 IKED Cc1c(C(=O)Nc2ccc(CN(C)C)c(Br)c2)sc2ccc(C#N)cc12 505086523 HPCORSHPGDHLOO-UHFFFAOYSA-N 428.355 5.158 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 505661462 MVIRUONJBHJAMQ-GOSISDBHSA-N 442.519 5.480 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1 508156676 BLXUOBZKUJCNJN-UHFFFAOYSA-N 435.911 5.370 30 20 IKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc2ccccc12 511324697 XADCIFLTPLNPKW-FQEVSTJZSA-N 435.527 6.368 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)NCc3ccc(-c4ccccc4)o3)s2)cc1 511546479 HXKCBGHKAIGUKW-UHFFFAOYSA-N 447.545 5.284 30 20 IKED CN(Cc1nc(C(F)(F)F)cs1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 511551067 CMVMXHGDKGYUGO-NSHDSACASA-N 429.361 5.136 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 511933489 DWCKLWNWQYZSDL-UHFFFAOYSA-N 446.494 5.595 30 20 IKED O=C(Nc1ccccc1CC(F)(F)F)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 512827431 MKQMAISRSKBECE-CQSZACIVSA-N 442.306 5.818 30 20 IKED CC(C)C(=O)Nc1ccc(CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1 517346822 ZMYSSBSGUNVQBV-UHFFFAOYSA-N 431.467 5.014 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(SC)n3-c3ccccc3)n2)cc1 518516790 YRCCQSMEKSEHHD-GOSISDBHSA-N 446.557 5.216 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 518682258 XYFNQTUTBGZAFM-QVKFZJNVSA-N 442.009 6.564 30 20 IKED COc1cc(CN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)ccc1SC 518756049 WMUHAGBAXGLMHT-UHFFFAOYSA-N 433.533 5.745 30 20 IKED CC(=O)Nc1ccc2nc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)sc2c1 518971745 SRIWAQZTAAVZCR-UHFFFAOYSA-N 442.500 5.365 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)CCCc3nc(-c4cccs4)no3)c2)cc1 519125345 GMBYCLLUHLTCLQ-UHFFFAOYSA-N 430.489 5.423 30 20 IKED C=CCn1c(SCC(=O)N[C@H](CC)CCC)nnc1-c1ccc(Cl)cc1Cl 519373551 XIGOQFDTOBDYNU-CQSZACIVSA-N 427.401 5.225 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N(CCc3ccccc3)Cc3cccnc3)cc2)nc1 521970282 BGBNNJBJWVXDBE-UHFFFAOYSA-N 434.499 5.026 30 20 IKED CCCN(C(=O)c1cccc(OCc2ccccc2C#N)c1)[C@H](C)C(=O)Nc1ccccc1 522198399 IQMIFSZUSRCPGJ-HXUWFJFHSA-N 441.531 5.017 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)NCCc3nc4ccccc4n3C(F)F)c2)cc1 523138135 FFPKIWQRNIPEEY-UHFFFAOYSA-N 431.446 5.019 30 20 IKED CC(C)c1nccn1Cc1cccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1 524131889 RONSAOWBYSLZDO-UHFFFAOYSA-N 440.503 5.351 30 20 IKED C=CCOc1cccnc1-c1nc(-c2ccc(-c3csc(-c4ccncc4)n3)cc2)no1 533755648 GEZIZEBAMXRTIF-UHFFFAOYSA-N 439.500 5.549 30 20 IKED Cc1cc(C)cc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccccc2SC[C@H](C)C#N)c1 536927289 ZZXQVMRNVCZHBH-KNQAVFIVSA-N 435.593 5.189 30 20 IKED C[C@H](Cc1ccccc1)n1cccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 538044146 AHWQWMMDYJZHKI-XMSQKQJNSA-N 436.540 5.777 30 20 IKED COc1ccc2ccccc2c1-c1cc(CNc2ccccc2Oc2ncccc2C#N)on1 538655258 IUBDSFMSDISRQS-UHFFFAOYSA-N 448.482 6.174 30 20 IKED Cc1c(C#N)c(NC(=O)CCN[C@H](C)c2ccc(OC(C)C)cc2)n(Cc2ccco2)c1C 539265617 TVNHGYGIEAOUOQ-LJQANCHMSA-N 448.567 5.085 30 20 IKED O=C(Nc1cc(C(F)(F)F)cnc1O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 539448029 BEBLJUJIPFYRCG-NSHDSACASA-N 447.257 5.250 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(Br)cc1C(F)(F)F 539541089 BDVJEPBIOHMTIR-LLVKDONJSA-N 443.288 5.972 30 20 IKED O=C(CN[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)Nc1ccccc1C(F)(F)F 540522396 QTUQUNNCLODVQP-HNNXBMFYSA-N 444.297 5.556 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 540863723 KFCPMOQDBNLELV-MJGOQNOKSA-N 446.580 5.135 30 20 IKED N#Cc1ccc(CN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)C2CC2)cc1 541370236 YGJPOVBKOMBPDU-UHFFFAOYSA-N 435.936 5.330 30 20 IKED N#CCC1CCN(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)CC1 541971631 JNKUPBJBONSOHB-UHFFFAOYSA-N 448.420 5.254 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCc2c(Br)ccc(F)c2C1 542678229 ADDZLHHOGZBOTI-CYBMUJFWSA-N 448.361 5.573 30 20 IKED O=C(CC[C@@H]1CCOC1)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 543084663 PLSIFXOHBRTOQL-YMTOWFKASA-N 437.302 5.261 30 20 IKED C[C@H](NC(=O)C1(c2ccc(F)cc2F)CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 543856793 XRNVKPWRQMJQMX-SFHVURJKSA-N 446.497 5.429 30 20 IKED CC[C@@H](CC#N)NC(=O)c1ccccc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 545174294 DMECDNABYHCJCD-HNNXBMFYSA-N 436.364 5.146 30 20 IKED Cc1nn(CCC#N)c(C)c1CCc1nc(-c2cccc(Oc3ccc(Cl)cc3)n2)no1 545852918 BXBPHBQOMVSXHG-UHFFFAOYSA-N 448.914 5.090 30 20 IKED C=C(C)Cn1c(SCc2nc(-c3cccc(CSC)c3)no2)nnc1-c1ccco1 547105785 JONIJLCQDLOKKK-UHFFFAOYSA-N 439.566 5.320 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2nc(C3CCOCC3)cs2)c1 553302124 LTCHGBSSLLNJIL-UHFFFAOYSA-N 439.924 5.607 30 20 IKED CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@H](c1ccc(Cl)cc1)c1ccccn1 559774813 XTPHQAOPINERQQ-LJQANCHMSA-N 444.844 5.272 30 20 IKED C[C@@](C#N)(NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)C1CCCCC1 573874399 BARXEGIKGMFWJU-VWLOTQADSA-N 445.592 5.005 30 20 IKED CC(C)CN(C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[C@H]1CCCc2cccnc21 574006112 JSWZRQWOERMIAS-DEOSSOPVSA-N 441.535 5.708 30 20 IKED C[C@@H](CCCC(F)(F)F)NC(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 578286058 CXNDPXBUBDQWAO-JTQLQIEISA-N 426.336 5.273 30 20 IKED FC(F)C(F)(F)COCc1noc(C2(c3cc(C(F)(F)F)ccc3Cl)CC2)n1 579038332 IFVPIRCQZMSOKN-UHFFFAOYSA-N 432.723 5.239 30 20 IKED C=CCn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1C[C@@H](c2ccccc2Cl)OC[C@H]1C 580677377 DOXOLHNWMFBHOF-LGYWMIHWSA-N 445.007 5.003 30 20 IKED Cc1ccc2nc(COc3cccc(C(=O)Nc4sc5c(c4C#N)CCCC5)c3)cn2c1 591587891 YPYCKDXOWZGQOM-UHFFFAOYSA-N 442.544 5.286 30 20 IKED Cc1ccc(-n2nc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c3c2CCC3)c(C)c1 592975523 ILFYREDWAAKDOC-KRWDZBQOSA-N 445.473 5.213 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H](CCCc2ccccc2)c2ccccc2)cc1 603706520 QNCUVHMXLKHIDB-VWLOTQADSA-N 439.559 5.307 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 603969078 ZMDGJQRHCLNIOK-UHFFFAOYSA-N 441.487 5.930 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1 604336883 KEPCJSATRCSVCJ-HSZRJFAPSA-N 435.527 5.638 30 20 IKED CN(Cc1csc2ccccc12)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604464674 IUHFXZQOCYYFFH-UHFFFAOYSA-N 441.512 5.162 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)NCc2ccccc2-c2ccc(Cl)cc2)cc1 608865395 LLABJLRMZNDJAV-UHFFFAOYSA-N 431.923 5.063 30 20 IKED N#CCCCOc1cccnc1NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 608882757 BLYKOPTYNAIVQW-UHFFFAOYSA-N 446.454 5.088 30 20 IKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(C(F)(F)F)c1 608904587 HAXIOEWVCQZWKQ-KRWDZBQOSA-N 437.849 5.073 30 20 IKED COc1ccccc1CN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609080593 PKPVHIOIPPTHMK-UHFFFAOYSA-N 435.911 5.463 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3ccc(-c4nc5ccccc5s4)o3)CC2)c1 609185364 VUOWFGAAPAOUQY-UHFFFAOYSA-N 429.501 5.112 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NC[C@@H]3CCN(c4ccc(F)c(F)c4)C3)c2)cc1 609209901 UJQOMXFTMCODTQ-SFHVURJKSA-N 448.473 5.277 30 20 IKED Cc1ccccc1-c1cc(C(=O)N(C)c2ccc(C#N)cc2F)c2cnn(C(C)C)c2n1 609217463 GVSFORNCIWHYKT-UHFFFAOYSA-N 427.483 5.275 30 20 IKED CC1CCC(OC2CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)CC1 609397271 KEGUURVXFKICMS-UHFFFAOYSA-N 433.552 5.942 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 609430218 CDBUUGZIOZUZER-SJORKVTESA-N 440.544 5.103 30 20 IKED CCCOc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1OCCC 609496708 UYUZWJOCLDIYBG-UHFFFAOYSA-N 431.492 5.575 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 609508608 SRYIOEKJEZUXLG-GMNCBBECSA-N 429.347 5.475 30 20 IKED COCCOCc1cccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 609601960 LLOZTUBQVFDXHK-UHFFFAOYSA-N 445.519 5.253 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCO[C@@H](c3ccccc3F)C2)c1 609731413 NWVDAOLCAUCYJX-HSZRJFAPSA-N 436.870 5.357 30 20 IKED COc1ccc(COCCC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1 609854873 MPGOFHDWTLMWEW-UHFFFAOYSA-N 432.495 5.155 30 20 IKED Cn1ccnc1C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1 610323997 RZKBRSUBKGUHKV-XMMPIXPASA-N 437.503 5.190 30 20 IKED CC(C)N1CC[C@H](NC(=O)c2c(Cl)cc(C#N)cc2Cl)[C@H]1c1ccc(F)c(F)c1 611519584 QKBJKVZUPWYDAM-AZUAARDMSA-N 438.305 5.097 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H](OC(F)F)C3)cc2Cl)c1 611596104 XAOWPJWDDZBJAU-QGZVFWFLSA-N 435.858 5.026 30 20 IKED C=CCN(C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1nc2c(s1)CCCC2 612743563 ZKTALLZVKIESGA-UHFFFAOYSA-N 429.998 5.561 30 20 IKED Cc1ccc(I)cc1NC(=O)c1c(Cl)cc(C#N)cc1Cl 614051085 SWQNUSKNHQGJMA-UHFFFAOYSA-N 431.060 5.030 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)c(C)c2c1 614729809 JBFKXLQGINYGLL-UHFFFAOYSA-N 428.513 6.115 30 20 IKED C=CCN(C(=O)c1cc2ccc(F)cc2nc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 619683544 LGOAEDLRNMNYID-UHFFFAOYSA-N 448.479 5.547 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 620899180 GEMYDGODFXZPLO-UHFFFAOYSA-N 443.922 5.247 30 20 IKED Cc1ccc(F)cc1C(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622516765 PLCPJJITSBTXHH-KRWDZBQOSA-N 435.339 5.385 30 20 IKED COc1cc2c(cc1F)CC[C@@H]2NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 670108209 KMDKPJKIQKQCJU-PGUXBMHVSA-N 442.375 5.030 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)c1cnn(CC(F)(F)F)c1 682504209 GNZUHQYXVSYRBQ-UHFFFAOYSA-N 433.324 5.074 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@H](c3ccccc3)CC2)c1=S 727430959 ONFRJOTWZFAOFA-OAQYLSRUSA-N 434.609 5.503 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1C 728061892 AYLZBRULWLGSAG-IBGZPJMESA-N 429.520 5.284 30 20 IKED CN(C)c1ccc(CN(CC(F)(F)F)C(=S)Nc2ccc(C#N)c(Cl)c2)cc1 728793239 RPKFKDMLFMSICD-UHFFFAOYSA-N 426.895 5.039 30 20 IKED C#Cc1cccc(NC(=S)N(CC)[C@H]2CCSc3ccc(Br)cc32)c1 728796247 DVHOQSOMEGSKTC-SFHVURJKSA-N 431.424 5.686 30 20 IKED C[C@H](CC#N)N(C)Cn1nc(-c2ccc(Cl)cc2Cl)n(Cc2ccco2)c1=S 728902590 STXYLBHGEIENNK-CYBMUJFWSA-N 436.368 5.221 30 20 IKED CCCCCCNC(=O)[C@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 731399950 JQDKQBGCJNYLEG-NRFANRHFSA-N 448.567 5.291 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 731400135 LHJQECTYYKFIKZ-QZTJIDSGSA-N 446.617 5.192 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H](C)Oc2ccccc2Cc2ccccc2)c1 733769967 ABSFCVDSNQHQSY-HYBUGGRVSA-N 428.532 5.042 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](CCc2ccccc2)c2ccccc2)c1 733805365 BBXJEQZMVHTHFQ-AZGAKELHSA-N 427.548 5.541 30 20 IKED Cc1sc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c(C(N)=O)c1C 735006877 FXNXVMDRKWXKRU-UHFFFAOYSA-N 425.897 5.034 30 20 IKED C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 737313300 LIPQOOTVTRAGBT-MHECFPHRSA-N 445.950 5.024 30 20 IKED CCOc1cc(/C=C/C(=O)c2cncc(F)c2)ccc1OCCOc1ccc(F)cc1 737445692 FNWVHDXJGFCRTQ-YCRREMRBSA-N 425.431 5.112 30 20 IKED COc1cc(C[S@@](=O)CCOC2CCCCCC2)ccc1OCc1cccc(C#N)c1 741053748 DADYLSKMXSPCFV-HKBQPEDESA-N 441.593 5.134 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=S)N[C@H]3CCOc4ccccc43)c2)cc1 741483038 WCBYTIBYDWGSRA-QHCPKHFHSA-N 429.545 5.142 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 742536922 FMZXNWHVZCPILL-QHCPKHFHSA-N 426.907 5.742 30 20 IKED C#Cc1cccc(NC(=S)N[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c1 743008132 FLEFBBHRZPZTTQ-HSZRJFAPSA-N 434.948 5.169 30 20 IKED COc1cc(/C=C\C(=O)c2ccc3c(c2)NC(=O)CO3)ccc1OCc1ccc(Cl)cc1 746958782 SDARNYIFIDOYPQ-WTKPLQERSA-N 449.890 5.155 30 20 IKED Cc1ccc(-c2ncc(C(=O)O[C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)s2)c(C)c1 747260319 DVAYDAHKTUERQX-AWEZNQCLSA-N 439.924 5.136 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)c3csc(COc4ccc(F)cc4)n3)n2)c1 752376120 JNDQHYYKFVEFOZ-UHFFFAOYSA-N 436.493 5.109 30 20 IKED COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)Nc2cccc(OCC#N)c2)c1 752499673 JKMZIQBRBZTBJW-DQEYMECFSA-N 427.504 5.360 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(CCCO)[C@H]2CCc3ccccc32)cc1 754437423 RCBRKIKCHNGTFJ-FTJBHMTQSA-N 425.532 5.246 30 20 IKED CSc1nc(C2CC2)cc(C(=O)O[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)c1C#N 758930579 YHRMKXUDIXNNKN-AWEZNQCLSA-N 434.521 5.137 30 20 IKED CCC[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(F)cc1F 759075949 QVXDKIKXPSZGSX-UPVQGACJSA-N 447.485 5.216 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3ccc4ccc(Cl)cc4n3)n2)cc1 759266244 AMFUQKPIQUEONC-GDCKJWNLSA-N 440.915 5.773 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CC(C)(C)CC(=O)c1ccc(C)cc1 760181871 CDKIZZYDCSGSLC-JOCHJYFZSA-N 432.564 5.457 30 20 IKED Cc1cc(NC(=S)Nc2ccc(C#N)c(Cl)c2)nn1CCCOc1ccc(F)cc1 767915889 GPBXWJWDZQQNGW-UHFFFAOYSA-N 443.935 5.134 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCOc3cc4c(cc3C2=O)CCC4)cs1 768500562 QEGXMBYZCOUMHF-UDWIEESQSA-N 444.556 5.674 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@H](CC)c2ccc(I)cc2)c1 772985084 QQOVXFZHHZXNSW-UYAOXDASSA-N 434.321 5.213 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2Cl)ccc1OC 772986642 PTSJWOJBPYCXAT-JSGCOSHPSA-N 427.759 6.187 30 20 IKED COc1cccc([C@@H](OC(=O)c2cn(CCCC#N)c3ccccc23)c2ccncc2)c1 774189852 LFJIVFMVAJABDD-VWLOTQADSA-N 425.488 5.295 30 20 IKED C[C@@H](c1ccccc1)N(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)Cc1ccccc1O 776002520 FCDQSBPZMAXOEI-CVDCTZTESA-N 448.526 5.193 30 20 IKED Cc1cc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)ccc1NC(=O)OC(C)(C)C 776906101 IYJQQRHFDBUUIK-UHFFFAOYSA-N 437.584 5.667 30 20 IKED CN(C)c1ccc(N(Cc2ccc3ccccc3n2)C(=O)Cc2ccccc2CC#N)cc1 777096256 AUYNJVLNKGDUMY-UHFFFAOYSA-N 434.543 5.143 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1SCC(=O)Nc1ccc(N2CCCCCC2)cc1 777569412 GVCLAZGZFIVCLI-UHFFFAOYSA-N 434.487 5.083 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 780147464 HIPWRJYWPXGFRG-HTAPYJJXSA-N 447.922 5.131 30 20 IKED N#C[C@@H](C(=O)COc1ccc(Cl)c2cccnc12)c1nc2cc(Cl)ccc2s1 780314827 KVIUIYGWVAKRFR-ZDUSSCGKSA-N 428.300 5.407 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 780675476 QYZSFTQYIVFLQP-JLTOFOAXSA-N 428.330 5.403 30 20 IKED CC(C)(C#N)CC(=O)Oc1cc(-c2ccc(Br)cc2)c2oc(=O)sc2c1 781863954 ZLWVPEQUPSQQKR-UHFFFAOYSA-N 432.295 5.129 30 20 IKED C[C@@H]1CN(c2ccc(NC(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc2)CCO1 782572603 OYKJUBMHCYAAKE-WOJBJXKFSA-N 440.547 5.333 30 20 IKED CCN(c1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1)C(C)C 783351467 GKVOJJQNWGLEPR-VWLOTQADSA-N 440.547 5.154 30 20 IKED CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 785024503 VKHUBVAFXKDZMM-CLJLJLNGSA-N 439.559 5.069 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl 789718256 FRXDHUOZJVSEOZ-UHFFFAOYSA-N 428.960 6.791 30 20 IKED Cc1cccnc1[C@@H]1CCCC(=NNc2nc3ccccc3c(=O)n2CCCOC(C)C)C1 799107290 WEZAPVAWMMCCID-HXUWFJFHSA-N 447.583 5.041 30 20 IKED COc1cc(/C=C/C(=O)c2cc(C)c(C)o2)ccc1OCC(=O)Nc1ccccc1Cl 799898206 WNNNCWXCMKGZSM-CSKARUKUSA-N 439.895 5.472 30 20 IKED C#CCN(C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1)C1CCCC1 810185664 FONACOUMASDUJY-UHFFFAOYSA-N 431.323 5.050 30 20 IKED N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1cc(C(F)(F)F)ccn1 813211362 ITQFATIGXCFBDZ-SFHVURJKSA-N 440.381 5.111 30 20 IKED N#C[C@H](C(=O)[C@@H](Sc1ccccc1F)c1ccccc1)c1cc(C(F)(F)F)ccn1 813211473 KXGMVNQCMCUSSG-KKSFZXQISA-N 430.426 5.949 30 20 IKED COc1ccc(-c2noc(CCCC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)n2)cc1 915102464 UCIZOLOOURZACX-LJQANCHMSA-N 444.516 5.068 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1nc(-c2ccccc2)cs1 915824303 YVPDDFAYVUYPFR-UHFFFAOYSA-N 429.295 5.062 30 20 IKED Cc1cc(C)cc(OCCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 916906979 GIVAIHJWJXOYLJ-QFIPXVFZSA-N 428.488 5.212 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cc1 916914688 RCYROVZWHIWGGY-NRFANRHFSA-N 434.927 5.138 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 920143061 TXLNBDOGHYEMBK-IBGZPJMESA-N 444.516 5.519 30 20 IKED C=CCOc1ccc(/C=C\C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1OC 920143628 YZEDQMDUVVCPPZ-ATYVUACHSA-N 441.512 5.145 30 20 IKED CC(C)n1c(O)nc2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)cc21 1542809663 YFOXYJZEHPPSFN-UHFFFAOYSA-N 426.476 5.026 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCCCCC(C)(C)C)C1 1781931297 HOHWQVQBVWHEQB-QHWMMSMNSA-N 446.676 5.265 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Nc3ccccn3)CCC2)cc1 1789626350 KYJACBUTQSWNRL-LJQANCHMSA-N 434.584 5.009 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc4ncsc4[nH]3)cc2)CCC1 1789667230 FWDVLPKDOLOBHR-UHFFFAOYSA-N 436.581 5.365 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ccoc45)CCC3)cc2)cc1 1790708785 VNZBSVVDNSGYDY-UHFFFAOYSA-N 449.510 5.560 30 20 IKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@]3(F)Cl)cc2)CCC1 1791672427 ILFHNYVPTXQGMQ-WMZHIEFXSA-N 449.042 5.096 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2occ(Cl)c2c1 1799326522 SHOKQDJWVRPZIG-FCGDIQPGSA-N 426.944 5.106 30 20 IKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4ccc(Oc5ccccc5)cc4)CC3)C2)C1 1804787083 HDKJUXHTKLIICG-UHFFFAOYSA-N 444.575 5.290 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cc(C)cs2)[nH]n1 1819304125 ZVCLQLLLLUEUQK-FPOVZHCZSA-N 440.613 5.173 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OC(C)(C)C)cc3)CC2)C1 1823701136 APUWIDXFVNWXKM-XMMPIXPASA-N 438.612 5.063 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccsc3[nH]2)CC1 1824143175 HLFVKZDWTWVPKC-JOCHJYFZSA-N 439.625 5.231 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccccc3o2)CC1 1828188193 LYCIHQFAWPZJPY-QFIPXVFZSA-N 436.596 5.659 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(C)CCCCC3)CC2)c1 1832632662 AJPJCQWGBNUIAU-PXDATVDWSA-N 449.639 5.517 30 20 IKED C=CCN(C(=O)c1ccc(C2SCCCS2)cc1)c1nc(-c2ccccc2)cs1 18120833 QZLQKNHOODSDFG-UHFFFAOYSA-N 438.643 6.512 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2ccc(C)c(C)c2)c1 28778616 GSCHRUHSRKNSPU-UHFFFAOYSA-O 431.625 6.248 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)c2)c1 32290506 XKPRRQGVOIHHFG-UHFFFAOYSA-N 447.494 5.642 30 20 IKED CC(=O)CCc1ccc(OCCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 58705835 DFBHHGAKYXDZPA-UHFFFAOYSA-N 428.488 5.280 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 72064446 HULQWOVNOBVEMW-UHFFFAOYSA-N 427.451 5.529 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(SCc3cccnc3)cc2)cc1OC 137705987 AYTNDSQJSBHGML-NTUHNPAUSA-N 432.545 5.599 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1 195662652 ZIZJRIMIEXQYNS-QFIPXVFZSA-N 436.496 5.146 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)cc12 301767137 WKLTZIOYXIHIDK-QGZVFWFLSA-N 445.935 5.426 30 20 IKED N#CCCn1cc(C(=O)CSc2nc(O)c3c4c(sc3n2)CCCC4)c2ccccc21 409465621 WLERJCPMXGRGAS-UHFFFAOYSA-N 448.573 5.119 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(OCC(F)(F)F)c(F)c3)cc2)nc1 410390519 REEOEYYRWYLMFG-UHFFFAOYSA-N 431.345 5.078 30 20 IKED CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 429103785 MMFSTVMQPLSOSF-WDNBXIGCSA-N 444.000 5.197 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CO[C@H]2CCCc3ccccc32)cc1 430417774 VMEKLSOVDQBSRB-SANMLTNESA-N 426.516 5.364 30 20 IKED N#CCCC[C@@H](NC(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21)c1ccccc1 431877825 MGGLYIWBZPZHEZ-JWQCQUIFSA-N 425.532 5.912 30 20 IKED N#CCC1(CNC(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CC1 432481927 DMXGRUGUDBALNK-GFCCVEGCSA-N 447.301 5.321 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)N1CC[C@H](CC(F)(F)F)C1 434336439 YETZJMKAMVWYMQ-MFKMUULPSA-N 436.318 5.683 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1cc(F)c(C)cc1F 440839132 AJOOTZJXZJNWGT-UHFFFAOYSA-N 449.910 5.258 30 20 IKED O=C(Nc1c(F)cc(F)cc1F)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444862633 RVJMMRLHMCVMBS-CYBMUJFWSA-N 430.270 5.938 30 20 IKED C=C(C)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 460948925 LJOPINOORALNFP-AWEZNQCLSA-N 448.411 5.032 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)Nc3cccc(C4CCC4)c3)cc2F)c1 463806192 NUIJUDAFLLGBGF-UHFFFAOYSA-N 443.478 5.121 30 20 IKED COc1ccc(C2CCN(C(=O)c3cccc(COc4ccc(C#N)cc4)c3)CC2)cc1 465391657 YOMXVDXDLUIELU-UHFFFAOYSA-N 426.516 5.166 30 20 IKED Cc1ccc(C(=O)CCCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 466633143 CRFUGDRBIKEMQV-UHFFFAOYSA-N 426.516 5.632 30 20 IKED C[C@@H](Cc1ccc(Br)cc1F)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469325002 INQOGQNNSYZLKZ-HNNXBMFYSA-N 444.348 5.214 30 20 IKED CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 470653989 MUSGSZUWRAVDSH-UHFFFAOYSA-N 436.299 5.472 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 472937296 GXUUOCWXDMLGRN-GGAORHGYSA-N 430.483 5.103 30 20 IKED COc1ccccc1[C@@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)OC(C)C 473673769 FZOWJEBJTQMIKO-DYESRHJHSA-N 427.570 5.235 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)NCCc2nc(-c3ccncc3)cs2)cc1 479673541 LSHJGDKANNRWQH-UHFFFAOYSA-N 442.569 5.200 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(Oc4ccccc4)o3)s2)cc1 482126338 WSLRSUBLISQAQW-UHFFFAOYSA-N 434.502 5.340 30 20 IKED N#C[C@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)c1cnc2ccccc2n1 483192928 HBRZTEKQDCOJJX-IBGZPJMESA-N 434.430 5.581 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3cc(-c4cccc(Cl)c4)on3)CC2)c(F)c1 483460963 RMJOWGFHPHILQW-UHFFFAOYSA-N 440.862 5.081 30 20 IKED C[C@H](NC(=O)c1cnn(-c2ccncc2)c1C(F)F)c1ccc(-c2cccc(C#N)c2)cc1 486140791 AVDKOJMQKZPTJS-INIZCTEOSA-N 443.457 5.235 30 20 IKED Cc1ccnn1-c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 487060535 KYFNSUYNRUDIII-QHCPKHFHSA-N 426.907 5.742 30 20 IKED COc1ccc(Cn2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)n2)cc1 490393616 MNRUGNZSFCKRGI-UHFFFAOYSA-N 440.528 5.215 30 20 IKED Cc1occc1CN(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 496349101 RJGWBNMNIPMUAH-UHFFFAOYSA-N 434.443 5.190 30 20 IKED CN(CC(C)(C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc3c(c1)OCO3)CC2 497367570 RNKZYOJRLFTZEM-LDADJPATSA-N 439.515 5.072 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ccnn4-c4ccc(C#N)cc4)cc3)o2)c1 498017207 GJVRNWIPUSRKIT-UHFFFAOYSA-N 446.470 5.022 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(OC)cc1OC1CCCC1 498586935 GTVUHNOMFMGOJF-UHFFFAOYSA-N 440.588 5.082 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H](c3cccc(F)c3)c3ccccn3)c2)cc1 499586830 KBLWJJMKCDPPHF-VWLOTQADSA-N 438.462 5.796 30 20 IKED O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1ccnc(SCC(F)(F)F)c1 500202007 BRQYKAQZPYNDPR-UHFFFAOYSA-N 442.356 5.459 30 20 IKED C=CCN(Cc1cccs1)C(=O)N[C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 503847870 RCZHBPZJJBAJCH-XMMPIXPASA-N 436.577 5.447 30 20 IKED Cc1cc(NC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)nn1CCC#N 504657995 MHDJIHVZJHHRRH-UHFFFAOYSA-N 435.340 5.103 30 20 IKED C=CCn1c(COCc2ccccc2)nnc1N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 508493832 MSWYVRPQPJOOCD-FQEVSTJZSA-N 442.485 5.194 30 20 IKED C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509898755 MTCGQHNZNHDYJU-LJQANCHMSA-N 439.515 6.303 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3CCSc4ccc(F)cc43)c2)cc1 509906008 UJTCAGUTDSJUDU-QHCPKHFHSA-N 447.535 5.829 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@@H](C)c1nc2ccccc2s1 510856422 FGFNMYQPJYNSSG-KRWDZBQOSA-N 442.544 6.494 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2ccccc2OCc2ccc(Br)cc2)n1 513656116 XZABOXFYWCQVIJ-KRWDZBQOSA-N 427.323 5.283 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1nc2ccccc2n1C(F)F 513666914 OLBMDTLIZJJYIP-OAHLLOKOSA-N 445.351 5.126 30 20 IKED CC(C)CN(C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1ccc(C#N)cc1 514396567 YEJZNEJSGQMVNR-UHFFFAOYSA-N 427.533 5.170 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2cc(F)cc3c2OCOC3)cc1Cl 514465384 FHAVECWHVHSUDI-NRFANRHFSA-N 436.870 5.182 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H](OCC(F)(F)F)C1 517773799 XDMFUURAUNSYTB-LJQANCHMSA-N 433.430 5.234 30 20 IKED Cc1nn(C(F)F)c(C)c1CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 518150901 IOLBJJUIGQSNQN-UHFFFAOYSA-N 432.418 5.101 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1nc2ccccc2s1 519316037 OODFSGWFPNUZGS-LBPRGKRZSA-N 430.341 6.217 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc(-c2cccs2)no1 519430298 HVWVOLWXGSBXFD-ZDUSSCGKSA-N 430.580 5.064 30 20 IKED COCCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@H](C)c1ccccc1 520178347 FFNMMHAKFFKJJI-DVECYGJZSA-N 447.966 6.237 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 520194374 RFRRKUKJQKIXEI-SBUREZEXSA-N 447.535 5.064 30 20 IKED CCNc1nc(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nc2ccccc12 520814633 HDLOGYLHIPSAHX-HNNXBMFYSA-N 437.594 5.187 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1ccc(C)cc1)c1ccc(OC)cc1 521737225 UFSBEKBHLUELJQ-SANMLTNESA-N 425.532 5.363 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 523495775 QONBYXYZTKBACH-UHFFFAOYSA-N 432.301 5.032 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1cc(C#N)ccc1OC(F)F 524382281 UXWAWNOVNDYMAC-UHFFFAOYSA-N 425.869 5.559 30 20 IKED Cc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1NC(=O)Nc1ccccc1 524914095 MRXDRLQJTOYRFS-UHFFFAOYSA-N 430.533 5.703 30 20 IKED N#C[C@@H](NC(=O)CCC(=O)c1ccc2ccccc2c1)c1ccc(OC(F)(F)F)cc1 531114915 DPKDZNPDBZEWCT-HXUWFJFHSA-N 426.394 5.082 30 20 IKED C=C[C@H](CC(=O)N1C[C@@H]2CCCN(C(=O)C[C@H](C=C)c3ccccc3)[C@@H]2C1)c1ccccc1 533939647 RHAXUXIEXKRHQI-GXVHRJHYSA-N 442.603 5.156 30 20 IKED CC(C)(C)c1nnc(CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)s1 534151524 QVPQNTGGLGOFQY-UHFFFAOYSA-N 426.929 5.083 30 20 IKED Cc1noc(C2CCC(NC(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)CC2)n1 534883928 DSQMXZZAENRABY-UHFFFAOYSA-N 436.899 5.152 30 20 IKED COc1ccccc1-c1ccc([C@H](C)NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 538393579 AKLKZVYRBCYQKA-NRFANRHFSA-N 425.576 5.549 30 20 IKED CC(C)(C)OC(=O)C1CCC(NC(=O)c2ccccc2Sc2ccccc2C#N)CC1 538799274 WZHRNVUGYZYYSR-UHFFFAOYSA-N 436.577 5.340 30 20 IKED CNc1ccc(C#N)cc1NC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 538825114 OXYZYHBAASSXNG-UHFFFAOYSA-N 442.903 5.267 30 20 IKED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3ccc(-c4cccc(OC(F)(F)F)c4)s3)nc12 538996496 DCRRCXISKLWGFU-AWEZNQCLSA-N 442.422 5.384 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N[C@H]3CCO[C@@H]3c3ccc(F)c(F)c3)c2)cc1 539453840 QLCDWBROFWZWBC-XZOQPEGZSA-N 435.430 5.280 30 20 IKED N#Cc1ccc(CN2CCC(NCc3ccc(-c4nc5ccccc5s4)o3)CC2)cc1 540596855 GASDNSGWEBILDV-UHFFFAOYSA-N 428.561 5.182 30 20 IKED C[C@@H]1CC(=O)CC[C@H]1C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 542153938 KGEMOJPSMUJVCX-WZYXQFPFSA-N 449.313 5.449 30 20 IKED CCCCCC(=O)NC1CCN(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 543016718 KUWYCGNSSJFGNO-HXUWFJFHSA-N 446.595 5.157 30 20 IKED CCN(C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)c1ccc(C#N)c(Cl)c1 551261460 IOOONBNSTQORMR-UHFFFAOYSA-N 432.351 5.194 30 20 IKED CC(C)OCc1ccccc1CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 553103023 WIPIFVGXWPCPGD-UHFFFAOYSA-N 439.987 5.060 30 20 IKED C[C@@H](NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1ncc(-c2ccccc2)o1 553359355 BHFPRKLLUJWRFR-QGZVFWFLSA-N 448.954 5.351 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](C)Sc1ccnc2cc(Cl)ccc12 557588979 SIRROFDNNMOERA-HNNXBMFYSA-N 430.957 5.059 30 20 IKED C[C@H]1CN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)CCC1(F)F 566946423 DTGOQSVJNOFYFP-JTQLQIEISA-N 441.322 5.027 30 20 IKED CCN(Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1)C1CC1 587989042 UZNLQKLNKZWOJY-GOSISDBHSA-N 437.515 5.563 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccc(F)cc1C(F)(F)F 590252694 JEJBYBKFLJBOEV-UHFFFAOYSA-N 448.363 6.548 30 20 IKED COc1cccc(/C=C(/CC(=O)Nc2ccccc2C#N)c2nc3ccccc3s2)c1 598544387 VKGHRRQUPPNJHG-UYRXBGFRSA-N 425.513 5.746 30 20 IKED N#Cc1c(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)sc2c1CCCC2 600840932 BZQLODNDQDRVBC-UHFFFAOYSA-N 439.544 5.058 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1csc(-c2cccnc2)n1 603532822 WJWHCRHMWDGYDW-UHFFFAOYSA-N 442.519 5.300 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 603596181 SNSOLFRCOQRZKD-UHFFFAOYSA-N 438.314 5.390 30 20 IKED C[C@@H](NC(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccc(C#N)cc1 608914659 XNYLTYNQHMABCP-HXUWFJFHSA-N 435.531 5.030 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1 609031151 BEBCFAUUHIFQER-UHFFFAOYSA-N 429.545 5.345 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCCc1cccc(Br)c1 609434665 HMERVDNZPXAKJV-HNNXBMFYSA-N 432.387 5.598 30 20 IKED N#C[C@@H](NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1ccccc1Br 609624176 HEZJLJLPNSOQQO-GOSISDBHSA-N 442.700 5.284 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccc(-c3ccncc3)cc2)cc1C 610069339 ANEIUPTXGFAQDV-UHFFFAOYSA-N 435.531 5.073 30 20 IKED N#CCCCOc1cccc(CN[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c1 610271702 TYONECOEIABIBZ-AREMUKBSSA-N 448.950 5.673 30 20 IKED CC(C)n1ccc(CNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)n1 610331755 ZXWIASMMOXVKCN-UHFFFAOYSA-N 443.429 5.468 30 20 IKED CCOc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc(OCC)c1OCC 613402568 CWXDYVZASFUHGE-HNNXBMFYSA-N 444.940 5.636 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@@H]2CCc3ccccc32)nnc1-c1ccc(Cl)cc1 614556617 BKBUVCUUHMMBSJ-HXUWFJFHSA-N 438.984 5.023 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(NC[C@H](C#N)CCC#N)cc2)CC1 615464585 DGLBUYUEWQFFIZ-OWHZGTRUSA-N 448.998 5.994 30 20 IKED C=CCOc1ccc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1 642303535 PGFHJHUXJCSPOS-FQEVSTJZSA-N 433.335 5.192 30 20 IKED O=C(c1ccc(-c2ccc(C(F)(F)F)cc2)o1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 644905493 HNGBSYLQJAHWDJ-TXEJJXNPSA-N 445.281 5.778 30 20 IKED C[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(OC(F)(F)F)cc1 674424065 GHAGZIDLUBQXPC-FXAINCCUSA-N 438.290 5.028 30 20 IKED O=C(NCCCc1cccc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674429460 TYHRMUUYQBWYGT-CHWSQXEVSA-N 436.318 5.020 30 20 IKED O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674463448 PXUWZBXTMIHLEK-BBWFWOEESA-N 434.355 5.178 30 20 IKED C=CCN(CCc1ccco1)C(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 680524036 ZOCQVQKZGQOGBX-QGZVFWFLSA-N 445.279 5.476 30 20 IKED O=C(Nc1ccc(OC(F)F)c2cccnc12)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 681485562 STIVQNQGDCZAEK-NXEZZACHSA-N 443.294 5.041 30 20 IKED N#Cc1c(NC(=O)c2cc(Br)cnc2Cl)sc2c1-c1ccccc1CC2 726501845 BRCKWDZZYMSGGS-UHFFFAOYSA-N 444.741 5.449 30 20 IKED N#C[C@@H](C(=O)CCc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(Cl)cc1Cl 727627008 JRPCJYNFCWIULB-AWEZNQCLSA-N 445.224 5.172 30 20 IKED C[C@@H](OC(=O)c1ccc(-c2ccc(F)cc2)cc1F)C(=O)N(CCC#N)c1ccccc1 730057630 SJLSGABKSPNDAJ-QGZVFWFLSA-N 434.442 5.124 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2ccc(F)cc2s1 731070816 UACXGHXAEALUSL-ZDUSSCGKSA-N 428.510 5.088 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2ccc(Cl)cc2[nH]1 731072997 HDNYVYJPJNJSGB-CYBMUJFWSA-N 427.913 5.011 30 20 IKED COc1cc(CN2CCC([C@@H](O)c3ccccc3)CC2)ccc1OCc1cccc(C#N)c1 735077449 OVZARGQPRPUNLA-NDEPHWFRSA-N 442.559 5.091 30 20 IKED C[C@H](OC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nc(-c2cccnc2)no1 735164759 XWHBHPCVTKDVJV-AWEZNQCLSA-N 446.850 5.367 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCS[C@H](c3ccccc3)C2)cc1 735482149 IXGABKZHBGFHKJ-DEOSSOPVSA-N 430.598 5.781 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 739533482 DFBQXOPNRPITCR-RBBKRZOGSA-N 435.524 5.291 30 20 IKED COC(=O)[C@H](Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1ccc(C#N)cc1 740002759 XEUDTTCMPAZYHE-HXUWFJFHSA-N 445.372 5.230 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N(Cc3cccc(F)c3)C[C@@H]3CCCO3)c2)s1 740483512 SEDMBHMCPVYLQR-QFIPXVFZSA-N 449.551 5.317 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(c2c(C#N)cnc3c(F)ccc(F)c23)CC1 742398116 QKGCWXZQOZBTKU-IBGZPJMESA-N 442.510 5.001 30 20 IKED CC(C)(C)c1ncc(/C=C/C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)s1 742625069 IKYRSYWAYPHXOH-TWLJRWAQSA-N 431.561 5.414 30 20 IKED N#C[C@@H](C(=O)[C@@H]1SCCc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 744034619 DJBSWJUFXIMVHB-OXJNMPFZSA-N 445.396 6.324 30 20 IKED C[C@H](OC(=O)[C@@H]1CCSc2ccccc21)C(=O)Nc1sc2c(c1C#N)CCCCC2 745424335 KKNAVXVILRKKTD-WMLDXEAASA-N 440.590 5.038 30 20 IKED C/C(=C\C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1cccc(C(F)(F)F)c1 745482323 DTGHFUCTATVUCY-QJPKHSJYSA-N 448.416 5.126 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(Oc2ccccc2Cl)cc1 747109238 YKZHSEVYEYYZCG-MRXNPFEDSA-N 425.271 5.747 30 20 IKED C[C@H](NC(=O)CC1CCCCC1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 750395480 ORTJTARNRRBZCX-KSSFIOAISA-N 429.973 5.115 30 20 IKED C#CCN(Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1)[C@@H]1CCc2ccccc21 756485936 KOHDZVUCLILNOH-RUZDIDTESA-N 443.616 5.876 30 20 IKED N#CCc1ccc(C(=O)OCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc1 758680277 UVSDHUIDBBPPMX-UHFFFAOYSA-N 434.904 5.392 30 20 IKED N#Cc1cc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)c(Cl)c([N+](=O)[O-])c1 764302211 FRYGUFHETNYUKN-UHFFFAOYSA-N 444.834 5.694 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@H](c3nc4ccccc4o3)C2)c1=S 764884163 IUTBDONKWNNJTP-IBGZPJMESA-N 446.580 5.030 30 20 IKED CCCCOc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(OC)c(Cl)c2)c(Cl)c1 770846719 KOWGRDKTSOUOGR-INIZCTEOSA-N 435.307 5.142 30 20 IKED C=CC[C@H](NC(=O)N(Cc1ccc(OC)c(OC)c1)[C@@H]1CCCC[C@H]1C)c1ccncc1 772498895 XCWVPXGIMRYFKP-WTIAFYNJSA-N 437.584 5.507 30 20 IKED CCOc1ccc(-c2nc(COC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)co2)cc1 773155845 FJFOMPKZLAYTLR-UHFFFAOYSA-N 441.443 5.156 30 20 IKED COc1cc(/C=C2/CN(C(C)=O)Cc3ccccc3C2=O)ccc1OCc1ccc(F)cc1 778520182 PKVVTXLJPWCZIN-XKZIYDEJSA-N 445.490 5.042 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 780306377 VRDKYSCDDRCNKW-JOCHJYFZSA-N 449.510 5.570 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)NC1(c2noc(C3CCCC3)n2)CCCCCC1 780671061 QHKHPASSQPMBLV-KRWDZBQOSA-N 437.544 5.389 30 20 IKED N#Cc1c(F)cccc1-n1ccc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)n1 781210760 JMZMQJFGAYFIIF-UHFFFAOYSA-N 445.068 5.144 30 20 IKED C[C@@H](NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccccc2)ns1)c1ccc(Cl)cc1Cl 787052085 XKCXVITZLKNDRZ-WBMJQRKESA-N 444.343 5.317 30 20 IKED CCSCc1ccc(C(=O)[C@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 787053016 PINUYTMQZLYPGA-ACJLOTCBSA-N 435.376 5.446 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nc1 791508338 CYLFXYCTZQCHKR-HSZRJFAPSA-N 442.519 5.265 30 20 IKED CC(C)(C)OC(=O)N1CCc2ccc(C(=O)[C@H](C#N)c3nccc4ccccc34)cc2CC1 792090244 CRRBSVDATUEDNQ-HSZRJFAPSA-N 441.531 5.061 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N[C@H](C#N)c3ccc(Cl)cc3)ccc21 793453387 XNSATHSYWXOWFV-LJQANCHMSA-N 425.916 5.022 30 20 IKED C[C@@H](NCc1ccc(-c2ccccc2C#N)cc1)c1c[nH]ccc1=NC(=O)OC(C)(C)C 796856459 VHDMTLKOTPLVSX-GOSISDBHSA-N 428.536 5.240 30 20 IKED CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(Cl)cc(Cl)c1 799223873 MXRMKPFEISWCAP-MRXNPFEDSA-N 440.327 5.113 30 20 IKED Cc1nc(-c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc2)cs1 799601918 AQOQJLHTMFQHPK-KRWDZBQOSA-N 443.500 5.394 30 20 IKED C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@@H](C(C)C)c2ccccc21 812180614 YSWWNPMIEQXFEC-QFIPXVFZSA-N 445.567 5.172 30 20 IKED C#C[C@H](NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc(Cl)cc1 812352634 TVQPGACMJMFREF-SFHVURJKSA-N 448.737 5.510 30 20 IKED Cc1ccc2snc(C(=O)[C@H](C#N)C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)c2c1 816039256 RLMIYETZPYJJAW-ABAIWWIYSA-N 432.332 5.111 30 20 IKED Cc1c(C(=O)Nc2ccc(Cl)c(SC(=O)N(C)C)c2)sc2ccc(C#N)cc12 816663641 CQEFDTOUVDRUOL-UHFFFAOYSA-N 429.954 5.761 30 20 IKED C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915102262 USFVVVDYPVOSOU-IFXJQAMLSA-N 433.920 5.155 30 20 IKED C[C@@H](/N=C\c1cc2ccccc2nc1O)c1cccc(NC(=O)Cc2ccccc2F)c1 915982265 VCWFRTJVBGCSIY-JXPPMIMOSA-N 427.479 5.441 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(Oc2ccccc2)cc1 916884203 SOCDAGNNRLNLLB-FQEVSTJZSA-N 438.455 5.755 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ncc(-c3ccc(C)cc3)o2)cc1 916955228 NOMODXPCOUCLKI-XMSQKQJNSA-N 429.520 5.444 30 20 IKED Cc1ccc(-c2cnc(CCC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)o2)cc1 916976724 FGPKEQTZKDEGGQ-LJQANCHMSA-N 447.947 6.236 30 20 IKED N#C[C@H](C(=O)Cc1c(Cl)cccc1Cl)c1nc2cc(C(F)(F)F)ccc2s1 917042144 BXLMELPKHFBIPU-LLVKDONJSA-N 429.250 6.041 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1nc2cc(Cl)ccc2s1 917042483 BUSNGMLGKOZQHU-HNNXBMFYSA-N 444.368 6.146 30 20 IKED N#C[C@H](C(=O)C1(c2ccc(Br)cc2)CC1)c1nc2cc(Cl)ccc2s1 917046011 FGIZPAATVUOISG-CQSZACIVSA-N 431.742 5.620 30 20 IKED N#CCCN(C(=O)COC(=O)c1ccc(SCc2ccccc2)cc1)c1ccccc1 917323189 KBYGQGDGZHYVLD-UHFFFAOYSA-N 430.529 5.083 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(-c3cccs3)cc2)cs1 917560308 LGNIYDUKINEAPR-RAXLEYEMSA-N 448.544 6.591 30 20 IKED Sc1nnc(-c2ccccc2Br)n1N=Cc1c[nH]c2cc(Cl)ccc12 918710545 SVZFQVZSBGPWFE-UHFFFAOYSA-N 432.734 5.013 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2Cc2ccccc2Cl)cc1 919904670 RQCBGTLLUKKCRL-RPWUZVMVSA-N 429.951 6.234 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CC(c3ccccc3)c3ccccc3)n2)cc1 920142544 QLQUIISBFWQBAF-DEOSSOPVSA-N 433.536 6.080 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2coc(-c3cccs3)n2)cc1C 920892511 NNSMRQLCUGGODI-UHFFFAOYSA-N 432.505 5.154 30 20 IKED CCOc1ccc(N=Cc2cc(Br)cc(Br)c2O)cc1OC 920947869 WHEGHTODEUQHNH-UHFFFAOYSA-N 429.108 5.075 30 20 IKED C=CCN(CC(F)(F)F)C(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12 921164536 KDERHBFFDBVDCM-UHFFFAOYSA-N 430.426 5.110 30 20 IKED CCCN(Cc1nc(O)c2sccc2n1)C(=O)Nc1ccccc1SC[C@@H](C)C#N 1318333482 GVKFONLCRFEROF-AWEZNQCLSA-N 441.582 5.093 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)/C(C)=C/c3cccs3)cc2)CCC1 1785819991 LRDCOKZWHIUXHF-ODECOBMASA-N 439.581 5.086 30 20 IKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@H]4c4ccccc4)CCC3)cc2)cc1 1785882557 JPHWWVHEAMAJIN-UIOOFZCWSA-N 449.554 5.039 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ccc4ncccc4c3)cc2)CCC1)C(F)(F)F 1788907578 CNUIMYJUMRPQMN-UHFFFAOYSA-N 439.437 5.101 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccc4cnccc4n3)cc2)CCC1 1788960341 FZAVWLHYKVLSPC-UHFFFAOYSA-N 440.547 5.146 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C)nc3C)CCC2)cc1 1789625759 XZTZCAIXTXGVLB-UHFFFAOYSA-N 447.623 5.758 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2)CCC1 1790278736 CFFLPDXMVVOSCH-XMMPIXPASA-N 448.563 5.220 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cnc4cc(C)ccn34)cc2)CCC1 1790969479 VMHFBIMKWGTNNE-UHFFFAOYSA-N 442.563 5.159 30 20 IKED Cc1cc2cc(C(=O)Nc3ccc(C4(NC(=O)c5cccc(C#N)c5)CCC4)cc3)ccc2[nH]1 1790989245 ZKDQKTWZAFSTCF-UHFFFAOYSA-N 448.526 5.410 30 20 IKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccc(Cl)cc2)o1 1796964053 UFYROSATPPONDJ-GEALJGNFSA-N 426.944 5.064 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CCc3ccc(F)c(F)c3)C2)CC1 1805202004 XQEPPVCAJPRBNC-UHFFFAOYSA-N 446.582 5.121 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3occc3c2)[nH]n1 1814828623 APXPTXCPGAKJIU-NRFANRHFSA-N 432.524 5.230 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C3CC3)cc2)[nH]n1 1819308798 CLHUKOGPHGKAHO-GGAORHGYSA-N 432.568 5.361 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)[nH]n1 1821920973 BBEWJLLEFQWSEA-AUUYWEPGSA-N 440.931 5.327 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](CCC)n2cccc2)CC1 1827626984 WXZXGHYGGAHJNA-RPBOFIJWSA-N 439.644 5.217 30 20 IKED CCCCC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830633830 UHQCNOANIVCNFL-BWKNWUBXSA-N 437.628 5.202 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1 1831371907 OMKVLHRXAILFCE-CVDCTZTESA-N 449.595 5.096 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCC3CCCC3)CC2)c1 1832635155 VLWSXKCWHVFZRY-LVXARBLLSA-N 449.639 5.517 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H]3CC[C@H](C)CC3)CC2)c1 1832635344 ARMQSZACGRUHCE-YNMPZUNCSA-N 449.639 5.373 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)CCC2)=C(/S)Nc1ccc(C)cc1C 10168924 PLGAGFCGBFTTAA-UHFFFAOYSA-O 429.609 5.693 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2cccc(Cl)c2)cc1 10830401 ABQSPZVYJJCDIJ-UHFFFAOYSA-O 436.409 5.956 30 20 IKED O=C(/C(=C(\S)Nc1ccc(SC(F)F)cc1)[n+]1cccc(O)c1)c1ccc(F)cc1 11113122 SNBCDIIQLMMWPT-UHFFFAOYSA-O 449.499 5.184 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccccc1)=C(/S)Nc1cccc(C(F)(F)F)c1 11128342 YVKGHJCZQGEIHI-UHFFFAOYSA-O 429.487 5.606 30 20 IKED Cc1cc(C)c(NC(=O)CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(C)c1 15620988 PRQUSZGOSAPRCE-UHFFFAOYSA-N 443.572 5.144 30 20 IKED Cc1ccc(C)c(N/C(S)=C(\C(=O)c2cc(C)n(C)c2C)[n+]2ccc(C(C)(C)C)cc2)c1 22729701 FKKNVCBDIISZMB-UHFFFAOYSA-O 448.656 5.895 30 20 IKED Cc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1NC(=O)c1ccc(Br)cc1 32050484 DJOBJYUPXWRXMG-UHFFFAOYSA-N 434.293 5.134 30 20 IKED C=CCn1c(S[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)nnc1-c1ccoc1C 59410156 WTAXMJCFHSAMJG-SFHVURJKSA-N 444.560 6.138 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 63320305 BKCAGORCKWVAQW-UHFFFAOYSA-N 428.448 5.623 30 20 IKED C=CCn1c(SCc2ncc(-c3ccc(OC)cc3)o2)nc2cc(Cl)ccc2c1=O 65279296 QWYFQCHSXJNQBI-UHFFFAOYSA-N 439.924 5.192 30 20 IKED C=CCn1c(SCc2ccc(OCC(F)(F)F)cc2)nnc1-c1ccccc1OC 71937653 JQQHGVGUIOXTRG-UHFFFAOYSA-N 435.471 5.373 30 20 IKED N#Cc1cc2c(nc1SCC(=O)Nc1c(Cl)cccc1C(F)(F)F)CCCC2 96994893 QQPAGYCLVXXROO-UHFFFAOYSA-N 425.863 5.235 30 20 IKED COc1cccc(CO[C@H](C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 107875534 NHXBYBAJLFRITM-UZUQRXQVSA-N 434.923 5.548 30 20 IKED C#CCN(Cc1ccc(F)cc1)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 109329487 GKOTYFYXBDQNRW-UHFFFAOYSA-N 432.442 5.173 30 20 IKED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CS[C@H]1CCCc3ccccc31)CCCC2 110312192 CKWNNXSNYXZUQO-DVECYGJZSA-N 449.620 5.167 30 20 IKED N#C[C@@H](C(=O)C1(c2ccc(Br)cc2)CCC1)c1nc2ccccc2n1C(F)F 195664107 LYUHOWULTJQJEN-HNNXBMFYSA-N 444.279 5.492 30 20 IKED N#Cc1ccc(N2CCc3c([nH]c4ccccc34)C2)nc1N1CCc2c([nH]c3ccccc23)C1 302908459 YBIRUISERURLDW-UHFFFAOYSA-N 444.542 5.041 30 20 IKED Cc1nc(C)n(Cc2cccc(NC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)c2)n1 429049369 UUTVRNCJZWMAEA-UHFFFAOYSA-N 438.491 5.251 30 20 IKED Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)Nc1cccc(OCCCC#N)c1 430403201 UNQUTYZYMSABOE-UHFFFAOYSA-N 430.291 5.892 30 20 IKED N#CCSc1cccc(C(=O)NCCCCSc2ccccc2Br)c1 430609603 HRLWCEJQCQRGHF-UHFFFAOYSA-N 435.412 5.367 30 20 IKED CCNC(=O)Nc1cccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1C 434048408 UUOHJKDVSFWZLU-UHFFFAOYSA-N 448.910 5.706 30 20 IKED N#C[C@H](C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1nc2ccccc2n1C(F)F 434620943 NIXZMFJUHFHOQF-CQSZACIVSA-N 440.356 5.387 30 20 IKED CC(C)CC[C@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccc(Cl)cc1 434792377 DLLAQDPKVPOMDO-IBGZPJMESA-N 428.964 5.000 30 20 IKED C=CCn1c(SCc2noc(-c3ccc(F)cc3F)n2)nnc1-c1ccccc1C 436053468 RYXHLQOWYOXEAK-UHFFFAOYSA-N 425.464 5.060 30 20 IKED N#CCC[C@@H](NC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccccc1 436383663 FKUSWBUMSNEMQS-MSOLQXFVSA-N 443.391 6.043 30 20 IKED N#CCCCOc1cccc(NC(=O)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 437056307 QDYTVXKTRSDTSR-UHFFFAOYSA-N 449.894 5.392 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1OC 437863850 HYYQWHRTBRLOHC-UHFFFAOYSA-N 431.492 5.040 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 438076157 PSWALGXHRCOGEJ-LLGFUMIMSA-N 428.627 5.204 30 20 IKED C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(Sc3nc(C)cs3)cc2C)c1 438663633 FEGIICDRLVIKNA-UHFFFAOYSA-N 439.562 5.053 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OCc4ccccn4)cc3)n2)cc1 442678622 JTQGOXQPZJFEOP-QFIPXVFZSA-N 425.513 5.583 30 20 IKED CC(C)(C)c1nsc(Oc2ccc(NC(=O)c3ncc(C#N)cc3Cl)cc2Cl)n1 444517366 DCDDWIAJJPEJEO-UHFFFAOYSA-N 448.335 5.454 30 20 IKED C=CCCO[C@@H](C)c1nc(CC(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)no1 445430460 JOEVLPBKWALTNP-HNNXBMFYSA-N 440.569 5.326 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)CCc2nc(-c3cccs3)no2)c1 460343005 KKNWQBFPTMEHRU-UHFFFAOYSA-N 448.935 5.489 30 20 IKED CC(C)CCN(CCC#N)c1nnc(Cn2ccc3ccccc32)n1Cc1cccs1 461497335 KTUFBADGXYSOGQ-UHFFFAOYSA-N 432.597 5.157 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ncc(-c2ccccc2)cn1 461983209 ILGCOQQFGSDCQJ-UHFFFAOYSA-N 449.514 5.224 30 20 IKED Cn1cc(NC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c(C2CC2)n1 463757367 ACHUFVIJWUASPC-UHFFFAOYSA-N 441.413 5.624 30 20 IKED C[C@@H](CCNCc1cn(CCC#N)nc1-c1ccccc1)c1cccc(C(F)(F)F)c1 467777291 PONNYAWSKLJUCA-SFHVURJKSA-N 426.486 5.766 30 20 IKED COC(=O)c1nc([C@@H]2CCCN2C(=O)Nc2cccc(C#Cc3ccccc3)c2)sc1C 471168231 IJZPDALMKSFMHF-NRFANRHFSA-N 445.544 5.007 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 474436270 CZYVNPWEYATWIU-HOCLYGCPSA-N 435.509 5.233 30 20 IKED CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2ccc(C(C)(C)C#N)cc2)c1 474592354 GZXKGXJFXSZMLW-FQEVSTJZSA-N 439.559 5.850 30 20 IKED N#CCSc1ccccc1NC(=O)CNc1ccccc1-c1cc(F)c(F)c(F)c1 475158993 VWIKSHJXCFSVEN-UHFFFAOYSA-N 427.451 5.437 30 20 IKED N#CC[C@H](CC(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1)c1ccccc1 475451890 HQLWWELSGSYYEF-XMMPIXPASA-N 437.543 5.235 30 20 IKED COc1cccc(NCc2nnc(SCCCC(C)(C)C#N)n2C2CCCCC2)c1 475938060 JJZWGAROMCOJPI-UHFFFAOYSA-N 427.618 5.826 30 20 IKED C[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 476613673 TYECGCRZKLEBKY-QQXLSSBLSA-N 449.313 5.449 30 20 IKED CC(C)Oc1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1C(N)=O 478529630 MKHUVQAPGWFOCF-UHFFFAOYSA-N 449.894 5.142 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1 479951852 BSNNVHUGBFPJRG-UHFFFAOYSA-N 426.369 5.112 30 20 IKED CCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)[C@@H](c1cccnc1)c1csc2ccccc12 480935859 CRNFQKIKZRFHFE-CJAUYULYSA-N 441.556 5.573 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)nnc1-c1ccco1 481436740 OJDMDNMCKCLEEH-OAQYLSRUSA-N 440.544 5.003 30 20 IKED N#C[C@H](C(=O)c1ccc(NC(=O)CSc2cccs2)cc1)c1nccc2ccccc12 483229583 BSDZMNGYPWCMEX-FQEVSTJZSA-N 443.553 5.517 30 20 IKED CCOc1ccc(-c2nc(CC)c(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)s2)cc1 483436677 DLHRLUKYKONCHA-MRXNPFEDSA-N 445.466 5.675 30 20 IKED C=CCn1c(SCc2cccc(C(=O)NCc3ccco3)c2)nnc1-c1ccccc1C 488923407 WBZRSUNOVKOKLN-UHFFFAOYSA-N 444.560 5.255 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCn2c(cc3cc(Cl)ccc32)C1 494098577 OBLIDAJXWSGFPY-MRXNPFEDSA-N 438.984 5.143 30 20 IKED CN(C(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(Br)cc1Cl 500734942 XMACAVWHHXRNNL-UHFFFAOYSA-N 445.700 5.423 30 20 IKED Cc1ccc(C#N)cc1NC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F 503310333 KNHHPQQXURZJNA-UHFFFAOYSA-N 440.212 5.025 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc2c(c1)OCO2 505542687 LAVMQVLCSLSQIX-YWZLYKJASA-N 433.895 5.607 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@H](c3cccs3)C3CC3)s2)cc1 510240801 DZFBHIPKJOLSDS-INIZCTEOSA-N 427.580 5.036 30 20 IKED C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511442320 SSSBJVINVVMWGZ-INIZCTEOSA-N 432.911 5.689 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)c1ccccc1OC(F)(F)F 512802387 LYYIGDOZJOGLPG-UHFFFAOYSA-N 448.422 5.358 30 20 IKED N#Cc1ccccc1CSCCNC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 514539204 ROIIUOIODFVWBG-VQTJNVASSA-N 433.602 5.267 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccnn2Cc2cccc3ccccc23)o1 515705872 RPROLDKHGSCJHE-UHFFFAOYSA-N 448.482 5.381 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3s2)nnn1-c1ccc(-c2ccccc2)cc1 521304494 ACKIDKQASRPCRL-HXUWFJFHSA-N 435.512 5.343 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC1(c2ccccc2)CCOCC1 522133647 ANDUQDUNQKGJAD-UHFFFAOYSA-N 441.531 5.273 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1 522572972 AYNFXWWHINCDFJ-UHFFFAOYSA-N 445.906 5.492 30 20 IKED C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C 523517909 AOXOEFDGTWVJGN-ZBFHGGJFSA-N 448.430 5.121 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC[C@H](c2nc3ccccc3s2)C1 523594349 KTSNGZLUDPSNCO-FQEVSTJZSA-N 438.556 5.503 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 524438836 XDIUJKHCLYHCCZ-UHFFFAOYSA-N 447.510 5.236 30 20 IKED N#Cc1ccc(-c2nnc(CSc3nc4ccccc4n3CCc3ccccc3)o2)cc1 525109547 NUAYNBKWIVADGR-UHFFFAOYSA-N 437.528 5.493 30 20 IKED C[C@@H](Sc1ccc(C#N)cc1Cl)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 533176981 LKNHIBZNOINXTB-CYBMUJFWSA-N 441.965 5.645 30 20 IKED COCC[C@@H](Cc1ccco1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 541420310 RTTMREVHXHVWSA-UGKGYDQZSA-N 437.927 5.358 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1 543495383 XVHWDWZXVCIYDJ-CYFREDJKSA-N 434.442 5.279 30 20 IKED CN(C(=O)c1cccc(OCc2ccccc2C#N)c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 543509232 WUMCQVFFPTVKOV-AHWVRZQESA-N 444.506 5.269 30 20 IKED C=CCc1cc(CN[C@@H](c2ccc(Cl)cc2)C2C[C@@H]3CC[C@H](C2)N3C)cc(OC)c1O 549268706 NJCJWKFVSWYBAV-KLJLATNJSA-N 441.015 5.486 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1cccc2c1CN(c1ccccn1)C2 550680893 GXHSFHTZMVCJBR-KRWDZBQOSA-N 429.549 5.640 30 20 IKED C[C@@H](c1ccccc1C(F)(F)F)[C@@H](C)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 552135836 JIQVMWFKEODGIJ-HZPDHXFCSA-N 447.476 5.241 30 20 IKED Cc1nc(C2(NC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CCCCC2)no1 554172283 LXZFPCZJZJCHRX-UHFFFAOYSA-N 445.523 5.004 30 20 IKED N#Cc1ccc(CSCC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1 557174415 TUURLIMMJNBMNP-JOCHJYFZSA-N 448.510 5.094 30 20 IKED FC(F)c1nccnc1N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 568552731 BJRMQMNIVRBIBY-GFCCVEGCSA-N 427.295 5.030 30 20 IKED CCc1ccc([C@@H](C#N)NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1 572560934 FHLTXLKTRIUOMD-LJQANCHMSA-N 428.319 5.524 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCCC[C@@H]3c3nnc(C4CCC4)o3)c2)cc1 578466728 PGRVSGKOMBNKFM-JOCHJYFZSA-N 443.507 5.760 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Br)c(C)c3)n2)cc1 580556989 BVYYADGAPKZEJT-MRXNPFEDSA-N 427.323 5.380 30 20 IKED C=CCn1c(COc2ccccc2Cc2ccccc2)nnc1N1CCC(OC(C)C)CC1 583215420 IYVVCLKHNSUTSU-UHFFFAOYSA-N 446.595 5.028 30 20 IKED N#Cc1cc(NC(=O)CCc2ncc(-c3ccccc3Br)o2)nc2ccccc12 584197167 YFQRJEUNPNIKBI-UHFFFAOYSA-N 447.292 5.095 30 20 IKED C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)N[C@@H](CCCC#N)c3ccccc3)c2)C1 590298808 OLUDHBBMILXDMM-ZPZUNKDASA-N 447.579 5.272 30 20 IKED O=C(NCCc1ccc(F)cc1Cl)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 603542353 QQCYEPINLNFOQX-QWRGUYRKSA-N 434.783 5.230 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 608916564 KPSJVFRNAODTGL-UHFFFAOYSA-N 429.402 5.070 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609079612 HQHPVOOGFAPFDB-UHFFFAOYSA-N 430.895 5.326 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(CC(=O)NC4CCCC4)CC3)c2)cc1 609208927 QRRILPWLIIBNBV-UHFFFAOYSA-N 446.551 5.043 30 20 IKED Cn1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(-c2ccccc2Cl)n1 609408250 OWUGVXZSJHSYRM-UHFFFAOYSA-N 428.879 5.657 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 609428280 JDQQPYKKILCATG-OAHLLOKOSA-N 440.956 5.746 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1 609430622 PXSMANNFZXEARN-INIZCTEOSA-N 431.517 5.224 30 20 IKED COc1ccc2[nH]cc(C3CCN(C(=O)Nc4ccccc4S[C@@H](C)CC#N)CC3)c2c1 609434977 IIWUBCHGRCULSK-KRWDZBQOSA-N 448.592 5.982 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)nnn1-c1cccc2cccnc12 609442752 BRKPKPJQDYNDIP-UHFFFAOYSA-N 446.470 5.040 30 20 IKED CCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H]1CCN([C@H](C)c2ccccc2)C1 609521446 GLQKNNUUVHUNOJ-YKSBVNFPSA-N 440.547 5.043 30 20 IKED CCN(C(=O)c1cc2ccccc2n1CC#N)[C@H](c1ccc(Cl)cc1)c1cccnc1 609577243 FCUXBOMNWWNSJS-XMMPIXPASA-N 428.923 5.465 30 20 IKED Cc1cc(F)ccc1N1CCC[C@H](NC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 609773000 RXHNPCCFGYQLJN-LPHOPBHVSA-N 426.561 5.176 30 20 IKED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N(Cc1ccco1)c1cccc(Cl)c1 609986561 GZVDUDHCMHJBQT-UHFFFAOYSA-N 440.830 5.219 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@H](CCO)c3ccccc3)cc2Cl)c1 610142526 WJNBLKVCNKIXBS-NRFANRHFSA-N 449.938 5.078 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(C[C@H](C)c2ccccc2)o1 615502899 HPZXBFAUBKJJNU-DLBZAZTESA-N 427.595 5.173 30 20 IKED N#CC1(c2ccccn2)CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 619726298 DZERMDHZJUYXKY-UHFFFAOYSA-N 448.910 5.493 30 20 IKED C=CCN(C(=O)c1sc(NC(=O)c2ccco2)cc1C)c1nc(-c2ccccc2)cs1 641527348 PSFRBGINAAGMBB-UHFFFAOYSA-N 449.557 5.858 30 20 IKED CC(C)Cn1ncc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1C(F)F 677559202 DZAXIYXMTHJVQG-NSHDSACASA-N 442.413 5.595 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(OC(F)F)cc2)nnc1-c1ccc(OC)cc1 685007206 SPMLYLHGHKEPCK-AWEZNQCLSA-N 445.491 5.105 30 20 IKED C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 685548286 FVYADQVHQPWPCW-YJBOKZPZSA-N 438.469 5.302 30 20 IKED C#Cc1cccc(NC(=S)N(Cc2cccs2)c2ccc(Br)cc2)c1 726469520 OCPPKWIEUIGIHL-UHFFFAOYSA-N 427.392 5.896 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)s2)[n+]2ccc(CC)cc2)c1 726574019 XWQCSXNVNWZVJU-UHFFFAOYSA-O 425.986 5.556 30 20 IKED Cc1ccc(N(CCC#N)C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 726940763 QVCFMXRRKLCBCK-UHFFFAOYSA-N 429.467 5.627 30 20 IKED N#CCOc1ccc(CNC(=O)NCCCN2c3ccccc3Sc3ccccc32)cc1 727939486 BOBMWLADXQITKY-UHFFFAOYSA-N 444.560 5.081 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c2)cc1 729571577 ZUNHEYGVVVIRMM-DEOSSOPVSA-N 443.503 5.269 30 20 IKED CCCCCCn1nc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c2ccccc2c1=O 730421809 QERCMNORJMXANM-GOSISDBHSA-N 448.523 5.216 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)cc1OC 730499847 ISQMIUBAIYUUSD-RXHHAWBHSA-N 432.520 5.207 30 20 IKED N#C[C@@H](C(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)c1ccc2ccccc2n1 730687395 VUSMXHLUBVVVAI-KBMIEXCESA-N 430.866 6.024 30 20 IKED N#C[C@H](C(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1nc2ccccc2s1 730688088 ZFKVIDIXWZYAKJ-ZHRRBRCNSA-N 436.895 6.085 30 20 IKED O=C(O)c1ccoc1COc1ccc(/C=C\C(=O)c2sccc2Br)cc1 730949336 SWWOZYAQQBNWFL-UTCJRWHESA-N 433.279 5.277 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC(c2cc3ccccc3[nH]2)CC1 731031116 QPXAOCDOALBECB-GOSISDBHSA-N 432.593 5.238 30 20 IKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(C2CCC2)C1=O)Nc1cccc(O)c1 731304162 KOZHDPPCNOJOJY-QFIPXVFZSA-N 445.544 5.058 30 20 IKED N#CCOc1ccccc1C(=O)O[C@@H](CC(F)(F)F)c1ccc(Br)cc1 731994121 MNNZOYULVQJUJE-INIZCTEOSA-N 428.204 5.202 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](c3ccccc3)N3CCCCC3=O)n2)cc1 733679771 NUSVVGRGKZGQDX-REWPJTCUSA-N 429.545 5.049 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)c1 733843921 PBUHBZZMPUEEAB-JOCHJYFZSA-N 446.482 5.081 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccoc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 739156707 PMTPXORIVKOUHZ-ZDUSSCGKSA-N 433.436 5.451 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl 740779700 UOPMODRUWQXPQX-UHFFFAOYSA-N 427.932 5.609 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(CC2CCC2)[C@@H](C)c2ccccc2)ccc1OC 741088039 KGEGVAJJSLJGAW-CVDCTZTESA-N 435.568 5.449 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1cccc(-c2ccncc2)c1 741460421 MTROIAYCPBLROR-UHFFFAOYSA-N 434.425 5.456 30 20 IKED C#CCCOc1ccc(CNCc2ccc(Oc3ccccc3C(F)(F)F)nc2)cc1 742378643 IXICFIRUTDEYMV-UHFFFAOYSA-N 426.438 5.585 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1NC(=O)OC(C)(C)C 742649847 RLZRXTDYBWNIRD-OAHLLOKOSA-N 425.554 5.846 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C[C@H](C)c1ccccc1C(F)(F)F 744029735 UOZABUZTQBRJFR-HNAYVOBHSA-N 430.470 5.671 30 20 IKED N#C[C@@H](C(=O)[C@H]1SCCc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 744034614 DJBSWJUFXIMVHB-JXFKEZNVSA-N 445.396 6.324 30 20 IKED Cc1onc(-c2ccccc2Cl)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 744495865 RVTKDEUIEJSTOE-LBPRGKRZSA-N 444.274 5.013 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 747196161 HJCAHWGRHDFHPE-AWEZNQCLSA-N 433.364 5.617 30 20 IKED Cc1nnc([C@@H](C)ON=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)o1 748536845 OEUJATQNQDVFBW-LJQANCHMSA-N 443.503 5.648 30 20 IKED CN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 752635792 HMZPQZJGTMAYJP-MHZLTWQESA-N 438.575 5.470 30 20 IKED CC(C)c1ccccc1-n1c(-c2cccnc2)nn(CN(C[C@H](C)C#N)C2CC2)c1=S 753989091 YJCAFBBWESLGDC-GOSISDBHSA-N 432.597 5.170 30 20 IKED CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)[C@@H](C#N)c1nc2ccccc2n1C)OCC3 759182158 UTNVEICLFYYKEB-NFQMXDRXSA-N 440.547 5.062 30 20 IKED C[C@H](OC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1nnc(-c2ccc(Cl)cc2Cl)o1 767637911 ROEXMKJHHAIUMW-LBPRGKRZSA-N 446.290 5.377 30 20 IKED C[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1nc(-c2ccc(Cl)cc2)no1 767947254 NLZZCTWECYXATK-OAHLLOKOSA-N 433.899 5.139 30 20 IKED N#C[C@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)C(=O)Nc1ccc(F)c(Cl)c1 769944030 CHJMQUPMGZJDSZ-HRYODUOUSA-N 445.199 5.426 30 20 IKED CC[C@]1(c2ccccc2)NC(=O)N(c2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1=O 771815644 CKKGPKJZYNUOAW-PXDATVDWSA-N 429.907 5.357 30 20 IKED C#CCOc1cccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccccc4OC)cs3)C2)c1 772283611 YPXJFQWCYHLVAD-GOSISDBHSA-N 447.560 5.242 30 20 IKED C[C@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CCN1C(=O)OC(C)(C)C 773807266 LJZDECDGMNBYPQ-RXVVDRJESA-N 449.551 5.063 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3ccccc3C)nc2C)cc1Cl 773979359 HSNRQLGDCPDJAF-INIZCTEOSA-N 439.924 5.050 30 20 IKED N#C[C@@H](C(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1)c1nc2ccccc2s1 780302634 PXCVEEGOSKBILI-UGKGYDQZSA-N 441.512 5.140 30 20 IKED Cc1cc2c(Br)ccc(C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)c2o1 785875370 FEDPRHQPDROCBD-MRXNPFEDSA-N 435.277 5.499 30 20 IKED N#Cc1ccc(F)c(COC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)c1 786962891 TVPMNUBOBZJTGW-UHFFFAOYSA-N 434.254 5.120 30 20 IKED O=C(C[C@@H]1CCCOC1)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 793799780 JZTXDEBXRRGCKC-LKFCYVNXSA-N 437.302 5.261 30 20 IKED CC(C)c1ccc(N2Cc3ccc(NS(=O)(=O)c4ccccc4CC#N)cc3C2)cc1 794593023 PEBADFAFXISJJJ-UHFFFAOYSA-N 431.561 5.197 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(C(=O)Nc3ccccc3)c2)cc1 795206526 XIBOLYWBEDGKKS-AREMUKBSSA-N 431.495 5.847 30 20 IKED COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1ccccc1 795982610 RCJHZHHEVSILFP-NVQXNPDNSA-N 442.515 5.314 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCCCOc2ccc(Br)cc2)s1 797570663 JJQXIRRDYMKLNU-INIZCTEOSA-N 435.387 5.629 30 20 IKED N#C[C@H](C(=O)/C=C\Sc1cc(F)ccc1F)C(=O)Nc1ccc(SC(F)F)cc1 797943013 MNAHTHYHZIENBW-WBTMPAOCSA-N 440.443 5.233 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(Cl)c2Cl)[n+]2ccccc2)c1 802709200 QUUDGTBWLSZQAE-UHFFFAOYSA-O 426.348 5.586 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2C[C@H](C)CC[C@@H]2c2ccccc2OC)cc1C#N 806364402 VUSFAKNQUXAEPG-IIBYNOLFSA-N 436.512 5.140 30 20 IKED CC(C)(CCC#N)CNC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F 807593701 XBCYNZJPMMBQJJ-OAQYLSRUSA-N 447.501 5.281 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nc(-c2ccc(F)cc2)cs1 852999398 AGDQCOTYXGNQLE-OAHLLOKOSA-N 441.553 5.385 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1 915086487 KDLPDDXWJHLMQT-QFIPXVFZSA-N 443.453 5.847 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102887 KAWBPGIEVCYTNE-MRXNPFEDSA-N 429.328 5.956 30 20 IKED CC(=O)N[C@@H](CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc(C)cc1 915105148 ZCGGXMGTUPFRGW-SJORKVTESA-N 445.466 5.067 30 20 IKED N#C[C@@H](C(=O)COC(c1ccccc1)c1ccccc1)c1nc2ccccc2n1C(F)F 915106318 BAWVUGPJJHYMPW-IBGZPJMESA-N 431.442 5.414 30 20 IKED Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cc12 915175121 MDPTULFLHIABMW-UHFFFAOYSA-N 446.470 5.040 30 20 IKED O=c1c2c3c(sc2ncn1N=Cc1sc(Oc2ccccc2)nc1Cl)CCCC3 915939448 LMXPYBWKSNYOQI-UHFFFAOYSA-N 442.953 5.121 30 20 IKED COc1cc(C=NNc2ccccc2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916246081 YSQBGKDTZQDOMJ-UHFFFAOYSA-N 443.425 5.178 30 20 IKED FC(F)(F)c1cnc(NN=Cc2cn(-c3ccccc3)nc2-c2cccnc2)c(Cl)c1 916286518 JTOQOCCRATZPBR-UHFFFAOYSA-N 442.832 5.448 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1 916679510 QBVIVGCIDDPVDW-UKILVPOCSA-N 434.543 6.235 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccc(-c2ccc(Br)cc2)s1 916900944 ZPDSNONTPFPNKW-MRXNPFEDSA-N 425.307 5.139 30 20 IKED CCCCOc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1OCC 916918152 MYKFUMVCGAIJLX-NRFANRHFSA-N 430.504 5.379 30 20 IKED C=CCN(Cc1ccc(OC)cc1)Cn1nc(Nc2ccccc2OC)sc1=S 917485947 ZFIQKUULWWMGHG-UHFFFAOYSA-N 428.583 5.081 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NN(Cc2ccccc2)c2ccccc2)cs1 917530711 XANMTMDOUSWBMC-UHFFFAOYSA-N 440.572 6.177 30 20 IKED CCN(CC)c1ccc2cc(C(=O)/C=C/c3ccc(OC)c(OC(F)F)c3)c(=O)oc2c1 917614871 BBBGGSVYSQTGPG-UXBLZVDNSA-N 443.446 5.145 30 20 IKED N#Cc1ccccc1OCCSC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1 918714978 VJPDRFYPAUKYEY-CJLVFECKSA-N 443.503 5.253 30 20 IKED N#C[C@@H](C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccc2ccccc2n1 920106101 KNEIKBRNTTYCMN-JOCHJYFZSA-N 445.478 5.652 30 20 IKED FC(F)(F)c1ccccc1C=NOCc1coc(-c2ccc(Br)cc2)n1 920485386 BAQZHXODZHFZKL-UHFFFAOYSA-N 425.204 5.674 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc5sc(C)nc5c4)cc3)CCC2)C1 1789046448 VPAGKVAUUSGXOF-UHFFFAOYSA-N 431.561 5.319 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)/C=C/c3cc4ccccc4o3)cc2)CCC1 1789116343 NQSRMQCQBTWAOT-FOCLMDBBSA-N 426.516 5.384 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C3(c4ccccc4)CCC3)CCC2)cc1 1790569975 ORNFTVCZAARWNG-FQEVSTJZSA-N 447.579 5.043 30 20 IKED Cc1ccc(S/C=C/C(=O)NC2(c3ccc(NC(=O)C4(C#N)CCC4)cc3)CCC2)cc1 1792231154 KJTUSAREFMKLRB-SFQUDFHCSA-N 445.588 5.429 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccc(F)cc1)C2 1792572663 ALPMTLJCXGQTFI-KOUNCHBCSA-N 449.570 5.132 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2cccc(Cl)c2c1 1801141047 YRDSXLORDLPFOM-REPLKXPHSA-N 439.987 5.132 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)ccc2C)[C@H]1c1cccnc1 1802502986 OVJXZBKXWGALMN-UPVQGACJSA-N 433.596 5.010 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccnc1 1810505539 XSRUKZCZWMCSCB-RBBKRZOGSA-N 439.987 5.047 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2ccccc2C)[C@H]1c1cccnc1 1812747003 HSBUGUCXZBAFSF-AOYPEHQESA-N 447.623 5.021 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](CCC)n2cccc2)[nH]n1 1814829768 STHGTVDRCGFQJM-YADHBBJMSA-N 437.588 5.013 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3cc(C)[nH]c23)n[nH]1 1818649653 ZCTODHXYEVVJTK-NRFANRHFSA-N 447.583 5.498 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3c(Cl)cccc23)n[nH]1 1821542252 ZPLFBHXMWJBKAD-IFXJQAMLSA-N 439.947 5.063 30 20 IKED Cc1ccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(N(C)C)cc2)cc1C 11163370 RPGBJXWQBAMZHN-UHFFFAOYSA-O 446.640 5.831 30 20 IKED CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(C#Cc2ccccc2)cc1 24736200 MDJUGYXHSRVTAD-UHFFFAOYSA-N 437.326 5.104 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 29201933 UHBVYSDUBOEYNE-UHFFFAOYSA-N 439.437 5.932 30 20 IKED C=CCc1cc(CNC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)cc(OC)c1OC 65389281 SZORTRIQWDQCAQ-UHFFFAOYSA-N 448.485 5.325 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(Br)cc2F)cc1 72066928 KBPQSHWBMKWUTG-UHFFFAOYSA-N 441.256 5.513 30 20 IKED CCCOc1c(Cl)cc(/C=C/C(=O)c2ccc(OCc3nccn3C)cc2)cc1OC 108308148 BGNKLOYYQYRRPE-BJMVGYQFSA-N 440.927 5.346 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](CCC)c2ccccc2)nnc1-c1ccccc1F 216507793 IINKDTMRFTZBIJ-LAUBAEHRSA-N 438.572 5.408 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](CC)c2ccc(Cl)cc2)nnc1-c1ccccc1F 218654146 IKXTXBQJQNMNSQ-IBGZPJMESA-N 444.963 5.283 30 20 IKED Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 303582507 FDNVYUHFBSEEAS-UHFFFAOYSA-N 441.531 5.683 30 20 IKED C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)Nc1ccnn1-c1ccc(C#N)cc1 426236028 DYJZNTAJHYQAQD-CQSZACIVSA-N 433.924 5.065 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1ccc([S@](C)=O)cc1 429025992 JAIRRLLCXDMANX-HKBQPEDESA-N 433.533 5.060 30 20 IKED N#CCCC[C@@H](NC(=O)NCC1(c2ccc(Cl)cc2)CCOCC1)c1ccccc1 431895665 FTGLIZDNUNTQPE-JOCHJYFZSA-N 425.960 5.123 30 20 IKED CN(CC(C)(C)C#N)C(=O)Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1 433280680 DQDMDQTYSBUUQZ-UHFFFAOYSA-N 443.370 5.739 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCOC[C@@H]3c3ccccc3)cc2Cl)c1 437958599 FVWGNMFAERAQGI-HSZRJFAPSA-N 447.922 5.396 30 20 IKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccc(C(F)(F)F)cc1 439456668 ZJHLWENFHQYUNH-LJQANCHMSA-N 449.498 5.163 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@@H](CCC#N)c1ccccc1 439668690 BOFVHFHWERQOGH-JXFKEZNVSA-N 439.968 5.778 30 20 IKED CCCc1c(NC(=O)c2cn(C)nc2-c2ccccc2Cl)cnn1-c1cccc(C#N)c1 440070435 NCFYJLYIXIIYNJ-UHFFFAOYSA-N 444.926 5.003 30 20 IKED C=CCC[C@H](NC(=O)NCc1csc([C@@H](C)OC)n1)c1ccc(C(F)(F)F)cc1 440848317 VOCKIJNZIPQDRC-DYVFJYSZSA-N 427.492 5.376 30 20 IKED N#Cc1cc(NC(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)ccc1OC(F)(F)F 442188498 NBEKGIYMZHXTBS-MRXNPFEDSA-N 430.386 5.357 30 20 IKED Cc1ccc(CN(Cc2ccco2)C(=O)NCC2CCC(C#N)CC2)c(Br)c1 442728082 HKILTLMMFSGHCQ-UHFFFAOYSA-N 444.373 5.392 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N(C)CC(=O)Nc2ccccc2SCC#N)cc1 444222694 HEMBTMXUVPWTST-IBGZPJMESA-N 445.588 5.609 30 20 IKED N#CCCCn1cc(C(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c2ccccc21 444293141 LHRIHTJFAGOFRG-JOCHJYFZSA-N 431.927 5.452 30 20 IKED Cc1c(COC(C)(C)C)cccc1NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 446326679 NWJQKCANAIVFGC-UHFFFAOYSA-N 436.556 5.089 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[C@@]2(CCCOC2)C1 460950803 SSNOQGHNVWGELI-FNZWTVRRSA-N 432.568 5.154 30 20 IKED N#Cc1ccc(SCC(=O)Nc2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)cc1 461714157 WPGVCTRJSPNIGT-UHFFFAOYSA-N 428.439 5.446 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1Cl 462274400 REKYJPYLOPQPRH-GZGNHOFSSA-N 445.950 6.037 30 20 IKED C=CCOc1ccc(CNC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)cc1 462728505 KBTVWOZVFBBVDM-UHFFFAOYSA-N 429.560 5.626 30 20 IKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)CS[C@@H](C)CO)c3C#N)C(C)(C)C2)o1 463221609 IAJQRLYPQWVBLH-VFADXPBXSA-N 442.606 5.352 30 20 IKED C=CCOc1c(Br)cc(CNCc2cc(F)ccc2SC)cc1OC 465014826 DUTKOIGIDJBCRZ-UHFFFAOYSA-N 426.351 5.173 30 20 IKED Cc1cccc2c(CCNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c[nH]c12 466000427 ICJKTNLVNBMEOS-UHFFFAOYSA-N 438.531 5.486 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H](OC)c2ccc(F)cc2)cc1 467609033 UIIYOOIAZXPWBG-HSZRJFAPSA-N 435.455 5.007 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 473737410 BESNWPAKYZRRQQ-UHFFFAOYSA-N 431.443 5.172 30 20 IKED Cn1ncc(C(=O)NC[C@H](c2ccccc2)c2c(-c3ccccc3)[nH]c3ccccc23)c1C#N 474591195 GJTMJJCZVRJTJE-JOCHJYFZSA-N 445.526 5.002 30 20 IKED COC(=O)C[C@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)cc1 477801536 MJENJFYMSSJODD-KSSFIOAISA-N 431.945 5.018 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2csc(-c3ccco3)n2)cc1 478644724 IAUMYWFCRNYCCT-UHFFFAOYSA-N 446.488 5.397 30 20 IKED COc1ccc(-c2ccc(NCc3cn(CCC#N)nc3-c3ccncc3)nc2)cc1Cl 479774459 FINAUCUHZLYATL-UHFFFAOYSA-N 444.926 5.195 30 20 IKED N#Cc1cccc(-c2nnc(CNc3ccc(-c4csc(C(F)(F)F)n4)cc3)o2)c1 480150451 RKFQMFNBIHAAIQ-UHFFFAOYSA-N 427.411 5.363 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC(CO)(c3ccccc3)CC2)c1 480270323 XUHXRFGTSCCJGJ-UHFFFAOYSA-N 446.934 5.170 30 20 IKED CC[C@H](C)n1ncc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1C 482772836 MZWDDFARMABNJB-INIZCTEOSA-N 447.564 5.017 30 20 IKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(OCCCC#N)c3)o2)cc1 482997453 SUGHMXYHBUNYRJ-UHFFFAOYSA-N 437.499 6.252 30 20 IKED N#CCCC[C@@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccccc1 487432412 VVMWEGNHVKZPRV-LJQANCHMSA-N 437.952 5.819 30 20 IKED C=CC[C@H](C(=O)Nc1ccc(OC)c(OCc2cn3ccccc3n2)c1)c1ccccc1 488651101 CUVKOHCNIVJIDH-QFIPXVFZSA-N 427.504 5.220 30 20 IKED O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCC2(CC1)OCCc1ccsc12 490764555 UENXTFSZDFVGMW-UHFFFAOYSA-N 428.557 5.244 30 20 IKED C=CCSc1ccccc1NC(=O)COc1ccc(Br)cc1C(=O)CC 499314696 ADPYANFFHXHZNF-UHFFFAOYSA-N 434.355 5.337 30 20 IKED COc1ccccc1NC(=O)c1cc2ccccc2cc1OCCCC1(C#N)CCOCC1 499929614 PLHINLUMNJHKPW-UHFFFAOYSA-N 444.531 5.580 30 20 IKED O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1cccc(-n2nccc2C(F)(F)F)c1 505555754 QZNIPILSOXXQGE-UHFFFAOYSA-N 447.310 5.224 30 20 IKED CCC[C@H](NC1CCC(C#N)(c2ccccc2)CC1)C(=O)Nc1cccc(N2CCCC2)c1 507660168 MHEGPFSLKGNSIM-KLIUIWTBSA-N 444.623 5.388 30 20 IKED CC(C)CCn1c(SC[C@@H](C#N)CCC#N)nc2sc3c(c2c1=O)CC[C@@H](C)C3 508355604 QQRCDCUUAOIWGK-HZPDHXFCSA-N 428.627 5.165 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(c2ncccc2Cl)CC1 508490553 CFGRMEZRVOFJGB-UHFFFAOYSA-N 444.366 5.226 30 20 IKED C[C@H]1CCCN(Cc2csc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)n2)C1 508582845 OHCWSQMDUMTGPW-SFHVURJKSA-N 446.576 5.078 30 20 IKED CCN(C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1ccc(C#N)cc1 510399325 VXVJTZYKFZPAKT-UHFFFAOYSA-N 448.320 5.240 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 514495759 BYPGIFRRQMSYJQ-INIZCTEOSA-N 445.519 5.286 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC1(c2ccc(Cl)cc2)CCCC1 514974718 STHGXBFBBJAOJH-MRXNPFEDSA-N 441.984 5.258 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4cccc(Cl)c4)c3C)n2)cc1 516270465 ZSQFWADSJXMRCU-LJQANCHMSA-N 448.935 5.456 30 20 IKED Cc1nc(C(=O)Nc2ccccc2SCCC#N)nn1-c1c(Cl)cccc1Cl 517440999 LSOXJEIXSVXBIU-UHFFFAOYSA-N 432.336 5.141 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 517473821 VCULDESLXYWPBW-YLJYHZDGSA-N 427.545 5.291 30 20 IKED CC[C@@H](c1ccccc1)c1nnc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)s1 518052692 ATQXJXCJSBTWTF-NRFANRHFSA-N 447.564 5.027 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)CCNC(=O)c3ccc4ccccc4c3)c2)cc1 519163649 DYXDJYQSZKDWKY-UHFFFAOYSA-N 435.483 5.262 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2oc3ccc(OC)cc3c2C)cc1 519341286 ZIJXUMKCBUADDW-SFHVURJKSA-N 447.535 5.447 30 20 IKED CN(Cc1ccc(Br)o1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 519989357 PCZXPFIRSSVJTQ-UHFFFAOYSA-N 426.270 5.370 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccc(Cl)cc3)C3CC3)cc2)cc1 520009372 WOINMWLHFMMEKW-HSZRJFAPSA-N 445.906 5.210 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 520174697 VRZRODLSYPEIEO-NHCUHLMSSA-N 446.595 5.366 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cc1C 520471074 BATVAWNCKYGJNT-UHFFFAOYSA-N 441.535 5.772 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)nnn1-c1ccccc1Cl 520918109 WNTMTVOIVZLOSW-UHFFFAOYSA-N 429.867 5.145 30 20 IKED COc1ccc(Oc2cc(CNC(=O)Nc3ccccc3S[C@@H](C)CC#N)ccn2)cc1 521810576 UWCYSKNALMSBPF-KRWDZBQOSA-N 448.548 5.598 30 20 IKED Cc1ccc(OC2CCN(C(=O)c3ccc(OCc4ccccc4C#N)cc3)CC2)cc1 522631008 GQHDJERYFAHXGC-UHFFFAOYSA-N 426.516 5.129 30 20 IKED COc1cccc(/C=C(\CC(=O)N(CC#N)C2CCCC2)c2nc3ccccc3s2)c1 523146686 VWSIKKWKXSVUKO-XDJHFCHBSA-N 431.561 5.530 30 20 IKED C=CCN(C(=O)c1csc(-c2c(F)cccc2F)n1)c1nc(-c2ccccc2)cs1 523867966 HMEAUBKTGRFWHP-UHFFFAOYSA-N 439.512 6.045 30 20 IKED C[C@@H](COc1cccc(F)c1)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 523902645 ORISYAFIMYYNHY-SFHVURJKSA-N 435.474 5.016 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)c2occc2COc2cccc(C#N)c2)cc1OCC 523944727 UVUITVFAKGUVCE-QGZVFWFLSA-N 434.492 5.019 30 20 IKED CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(C#N)ccc1OC(F)F 524436731 HWAROMXBLLJFGU-UHFFFAOYSA-N 442.235 5.115 30 20 IKED C=CCN(C(=O)c1ccc(NC(=O)CC(C)C)c(C)c1)c1nc(-c2ccccc2)cs1 525118630 WQTFSJHHNSHNRB-UHFFFAOYSA-N 433.577 5.936 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 531825570 GOLHCUSTRNDDAE-UHFFFAOYSA-N 435.474 5.115 30 20 IKED CC[C@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1nnc2n1CCCCC2 534875628 PENSINMCOYTTIA-IBGZPJMESA-N 449.942 5.203 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(Cc3cccnc3)CC2)cc1 536632585 KEGXKIRDLQRRSX-UHFFFAOYSA-N 427.573 5.340 30 20 IKED C=CCN(C(=O)[C@H](OC)c1cnn(C)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 537301558 KPIPAEDSVOPCPD-HSZRJFAPSA-N 444.560 5.117 30 20 IKED CN1CCC[C@@H](CNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)[C@H]1c1cccs1 538064818 ZASODLBGIWIKPQ-DHLKQENFSA-N 444.604 5.169 30 20 IKED C[C@@H](SCC(=O)NCc1ccc(-c2ccccc2C#N)cc1)c1nc2ccccc2[nH]1 540198508 VAAXACLAZGEYBM-QGZVFWFLSA-N 426.545 5.212 30 20 IKED O=C(CN[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)Nc1ccc(F)cc1Cl 540520712 QGCHNTYUXIGANV-OAHLLOKOSA-N 428.735 5.330 30 20 IKED Cc1c([C@@H](C)Nc2cccc(OCCCC#N)c2)nnn1-c1cccc(Br)c1 540728591 HXCJNXKAYBTNRV-OAHLLOKOSA-N 440.345 5.194 30 20 IKED C[C@H](NC(=O)NCc1cccc(Cn2ccnc2)c1)c1ccc(-c2cccc(C#N)c2)cc1 541124179 FALOIHPOJFHPHD-FQEVSTJZSA-N 435.531 5.030 30 20 IKED N#CCC1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(Cl)cc2)CC3)CC1 542912330 WQJASWPBJIKFAH-LVZFUZTISA-N 441.962 6.141 30 20 IKED C[C@@H]1N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCC12CCOCC2 544584974 JRXNSYNXMQQRTG-KRWDZBQOSA-N 439.943 5.214 30 20 IKED COc1cc(CNc2cc(CC#N)ccn2)cc(Br)c1OCc1ccccc1 546634887 HNAFJPAIFXGVLA-UHFFFAOYSA-N 438.325 5.110 30 20 IKED C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CCC(C#N)(c2ccccn2)CC1 548864923 FEBBIXAUDNFJOB-AWEZNQCLSA-N 428.323 5.057 30 20 IKED N#CC1(N(C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)C2CC2)CCC1 551285430 VSJYZNCWLSQLTG-UHFFFAOYSA-N 428.319 5.297 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1nnc(-c2ccccc2F)s1 551424022 VCOZLOASERSCOS-OAHLLOKOSA-N 437.569 5.566 30 20 IKED C[C@H](NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1ncc(-c2ccccc2)o1 553359354 BHFPRKLLUJWRFR-KRWDZBQOSA-N 448.954 5.351 30 20 IKED N#CCCN(C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccc(F)cc1 554286491 IAQPTGLZDMMLMI-UHFFFAOYSA-N 441.462 5.314 30 20 IKED CCOc1ccc(-n2c(SCCOCCC#N)nnc2-c2ccccc2Cl)cc1 554970781 GHDLGIUWIBZEDP-UHFFFAOYSA-N 428.945 5.009 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccccc1CN(C)C1CCCCC1 558227442 LDLJZMAZUNODJW-UHFFFAOYSA-N 437.632 5.839 30 20 IKED CSc1ccc(-c2nsc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)n2)cc1 565564940 BVJSFPFIGRUURQ-RBUKOAKNSA-N 435.578 5.231 30 20 IKED CC(C)NC(=O)Nc1ccc(-c2noc(-c3cn(CCCC#N)c4ccccc34)n2)cc1 568325110 MZBFBLPJKWEULS-UHFFFAOYSA-N 428.496 5.192 30 20 IKED COc1ccc(CN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@@H](C)C2CC2)cc1 569413539 KNQUDGGKTRACBO-SFHVURJKSA-N 442.519 5.587 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC(c4noc5cc(F)ccc45)CC3)o2)cc1 574683052 MEPLDFCZQZJKIV-UHFFFAOYSA-N 445.450 5.030 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 581342103 WJPNMCUFMFHPRI-ZFWWWQNUSA-N 448.375 5.379 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 604240750 WOECXGIUIHUUQN-IBGZPJMESA-N 442.544 5.211 30 20 IKED COC(=O)c1sc2cccc(F)c2c1CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 604276491 LRUHHJSYPAKECG-UWVGGRQHSA-N 443.384 5.390 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)cc1 608915672 TUZCXDQCRIUVLN-UHFFFAOYSA-N 449.558 5.721 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 608916189 NVGWNACDHRJJMG-UHFFFAOYSA-N 446.938 5.906 30 20 IKED C[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609079837 JULMLGALQZXVKB-HNNXBMFYSA-N 437.952 6.003 30 20 IKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)N1CCC(C#N)CC1 609208047 ZNBRNZGOPDNGGX-UHFFFAOYSA-N 430.430 5.034 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@@H](Cc3ccccc3)C2)cc1C 609265714 QTBUCWKTYRWIMK-QHCPKHFHSA-N 426.564 5.176 30 20 IKED Cc1sc2nc(CCC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)nc(O)c2c1C 609429689 YPZXKSFHHFQELX-UHFFFAOYSA-N 444.516 5.249 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)N[C@H]1CCN(c2ccc(C#N)cc2)C1=O 609633552 CPOAVKKPOFOGKO-XOBRGWDASA-N 436.968 5.100 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCCC[C@@H]2c2ccco2)cc1Cl 609928171 LIMNWYXNUGFAHR-FYYLOGMGSA-N 433.939 6.738 30 20 IKED COc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 610017359 UDGQSQNZLJLQEK-HXUWFJFHSA-N 427.504 5.689 30 20 IKED N#C[C@@H](C(=O)c1ccc(OC(F)F)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346386 IAGSWFWFITUJPP-AWEZNQCLSA-N 439.270 6.208 30 20 IKED Cc1cc(Br)oc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613403142 BSMUEEACQHQOGG-VIFPVBQESA-N 429.217 5.469 30 20 IKED N#Cc1ccc(CNC(=O)N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cc1Cl 619769433 NBHWQCYQUKFOIP-SFHVURJKSA-N 440.931 5.351 30 20 IKED N#C[C@@H](C(=O)c1ccc2c(c1)CCCC(=O)N2)c1nc2cc(C(F)(F)F)ccc2s1 642282256 XZGKUXOIENJVQY-AWEZNQCLSA-N 429.423 5.080 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 642282351 HCNLZQLGQITECG-NSHDSACASA-N 444.800 5.677 30 20 IKED C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC2(CC1)OCc1ccccc12 670234249 ALLWWEORCNVMAW-UHFFFAOYSA-N 425.536 5.028 30 20 IKED CC(C)Oc1c(F)cc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F 680240141 FFDBNWPGZDGDBR-UWVGGRQHSA-N 434.327 5.347 30 20 IKED C=CCN(C(=O)c1cnc(OCC)cn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 681643183 CKZACDZDHCUWLI-UHFFFAOYSA-N 435.336 5.138 30 20 IKED O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 684799811 XHKDMTYWBZFXKX-VWMGYNLJSA-N 432.767 5.107 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1nc2ccccc2[nH]1 726318071 BOLSJSKISDTNTP-HNNXBMFYSA-N 426.423 5.124 30 20 IKED COc1ccc(/C=C2/CCc3nc(-c4ccccc4Br)sc3C2=O)cc1O 730436152 MQPYAHWRRVIJPW-RAXLEYEMSA-N 442.334 5.499 30 20 IKED Cc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3S[C@H](C)CC#N)c(Cl)cc12 730949499 WIPKIGMHWYEDNN-CQSZACIVSA-N 442.924 5.167 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 730989262 JFNCLYFYXOJXLN-INIZCTEOSA-N 425.554 5.215 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc(OC2CCCC2)c1 731262087 ORMMLZFJVVXQDB-KRWDZBQOSA-N 438.549 5.198 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)O[C@@H](C(=O)Nc3ccccc3)c3ccccc3)cc2)nc1 732401006 BZRDUXCEDKQSEC-RUZDIDTESA-N 449.466 5.282 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@@H](C)c3cccc(C(F)(F)F)c3)n2)cc1 739159239 JHYQDRWWXSOIDU-KUHUBIRLSA-N 444.478 6.208 30 20 IKED C[C@@H](OC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nnc(-c2cccs2)o1 741817568 AQVLFAIRPVMHNQ-OAHLLOKOSA-N 447.541 5.880 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccc(C#N)o1 743738289 DFBHABYUCUYNNX-JOCHJYFZSA-N 431.879 5.071 30 20 IKED COc1ccc(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1SC(F)(F)F 743842542 HKEMOHYNIIKDJH-PHIMTYICSA-N 441.359 5.870 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C[C@@H](Cc1ccccc1)c1ccccc1 744028344 GVOCXKBTPJLMES-FTJBHMTQSA-N 438.571 5.875 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)/C=C\c3ccc(-c4ccccc4Cl)s3)o2)c1 744545570 BNLGVZLRPHRTOO-LUAWRHEFSA-N 447.903 5.747 30 20 IKED Cc1cc(/C=C\C(=O)c2cccc(O[C@H](C)C(=O)O)c2)cc(C)c1OCc1ccccn1 745020655 GGYWCGOESRDKEG-OEIFXAAASA-N 431.488 5.025 30 20 IKED CC(C)C(=O)N(C)Cc1ccc(C(=O)OCc2ccc(-c3ccccc3C#N)cc2)cc1 745171012 AJIIZNJKWRYNKD-UHFFFAOYSA-N 426.516 5.197 30 20 IKED CCCCc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1 746011322 STKJTJHOAOPEOP-ACCUITESSA-N 440.515 6.345 30 20 IKED C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 749583530 MMYDSFQGEJBFIL-COFKYPDJSA-N 438.575 5.374 30 20 IKED COc1cc(C2(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)CCC2)ccc1C 750404526 TWEHTEMREGGDSP-MRXNPFEDSA-N 438.499 5.704 30 20 IKED C/C(=C\C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1OC(F)F 753396071 RTXLTJVGMRRCMA-BMGYJQCNSA-N 439.245 5.346 30 20 IKED C=C(C)[C@@H](CC(=O)Oc1cc2ccccc2cc1C(=O)Nc1ccccc1OC)OCC 756507668 GAKVVEFTOBNGAR-HSZRJFAPSA-N 433.504 5.377 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cc1 756942472 MQXNPEHDQAMFOR-PGRDOPGGSA-N 449.551 5.034 30 20 IKED Cc1ccccc1NC(=O)c1cc2ccccc2cc1OS(=O)(=O)CC1(C#N)CCCC1 758987497 OBPAJCMHBHUQRT-UHFFFAOYSA-N 448.544 5.193 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)N[C@H](c3ccc(Cl)cc3)c3ccsc3)CCO2)c1 761667225 VQFPZGQQXSWDOQ-FCHUYYIVSA-N 437.952 5.146 30 20 IKED C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 766324978 HYADLVWVGUBDFL-WFASDCNBSA-N 444.329 5.162 30 20 IKED Cc1cc(CSc2ccccc2C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)on1 768137653 SAKZHLQIWMVXCL-KRWDZBQOSA-N 432.332 5.577 30 20 IKED Cc1cccc(C2(O)CCN(C(=O)NCc3ccc(-c4ccccc4C#N)cc3)CC2)c1C 768411027 CODZAQZWLKYYBZ-UHFFFAOYSA-N 439.559 5.035 30 20 IKED C[C@H](Oc1cccc2ccccc12)C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 774037479 LPXRPHHIQAMVPF-KSSFIOAISA-N 443.528 5.073 30 20 IKED CCCCCCn1c(-c2c[nH]c3ccccc23)nn(CN2CCSC[C@H]2C#N)c1=S 774642740 KJNOVLBRFDSWPA-QGZVFWFLSA-N 440.642 5.041 30 20 IKED C[C@H](NC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccc(OCC#N)cc1 776164720 VWAISJJOZKEVQH-WGGBDISSSA-N 431.502 5.341 30 20 IKED C[C@@H](Nc1ccc(C(=O)OCc2ccc(C3(C#N)CC3)cc2)cc1[N+](=O)[O-])c1ccccn1 777147729 ARIVXZXNEGPPFI-QGZVFWFLSA-N 442.475 5.075 30 20 IKED C=CCNC(=S)/C(=C(/O)c1ccc(-c2ccccc2)cc1)[n+]1c(C)ccc(O)c1Cl 777510329 UWJXMVCSESPUJL-UHFFFAOYSA-O 437.972 5.295 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)O[C@@H]([C@@H]2CCOC2)C(F)(F)F)cc1Cl 778035550 AJYOCLSKRKJCGV-KDOFPFPSSA-N 425.790 5.128 30 20 IKED C=CCC[C@@H](C(=O)OCc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1)c1ccccc1 778552605 OYXYATXLEDISGJ-XMMPIXPASA-N 448.588 6.238 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H](c2cccnc2)c2cc3ccccc3o2)ccc1OC 779412305 LYUFSJXXYXLSPY-QFQXNSOFSA-N 427.504 5.397 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 779495809 LNMFTIPSZGVJBR-FGZHOGPDSA-N 434.540 5.015 30 20 IKED FC(F)Oc1ccc(NC(=S)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cc1 781111218 XROWFRODJKKGIF-CYBMUJFWSA-N 442.356 5.479 30 20 IKED C[C@H](OC(=O)c1cccc(OCc2ccccc2C#N)c1)c1nnc(-c2ccc(F)cc2)o1 783146619 DGPIRGSKUQRMRD-INIZCTEOSA-N 443.434 5.244 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 788789478 OAIQODFGZHYQPR-LBPRGKRZSA-N 444.278 5.511 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 790815001 WFDYFEDGDKRAPZ-JTHBVZDNSA-N 433.552 5.265 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CC(C)(C)[C@H]2c2cccnc2)c1=S 793571691 JJNGAJQZALDSKM-LJQANCHMSA-N 425.989 5.356 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(CNc2ccc(OC(F)(F)F)c(C#N)c2)cs1 799348515 UWXLBJYCMUWUEY-UHFFFAOYSA-N 446.454 5.519 30 20 IKED Cc1cc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)c(C)n1-c1ccc(C(C)C)cc1 800582848 GJZPZHAARCLCIV-UHFFFAOYSA-N 426.564 5.310 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccccc1NC(=O)OCc1ccccc1 804560659 HUNVIAJHABRUTN-UHFFFAOYSA-N 446.551 5.431 30 20 IKED C=CCN(C(=O)c1occ2c1CCOC2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 808037325 JRYYPGRIDMATHZ-UHFFFAOYSA-N 435.332 5.615 30 20 IKED O=C(OCC(=O)c1ccc(C(F)(F)F)nc1Cl)c1cc(F)c(C(F)(F)F)cc1F 811223624 JNMQNWDKTBNEFO-UHFFFAOYSA-N 447.665 5.091 30 20 IKED C=CCOc1ccccc1C(=O)OCc1csc(N(C(C)=O)c2ccccc2CC)n1 913367555 NGJKGXDYQLZSDW-UHFFFAOYSA-N 436.533 5.312 30 20 IKED CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNc1ncnc2c1oc1ccccc12 914554985 DLZKXADDZLSVAT-UHFFFAOYSA-N 430.899 5.785 30 20 IKED O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(Br)s1 916134343 KVHYRAVBWSEFTI-CMDGGOBGSA-N 446.753 6.312 30 20 IKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1C 916215559 IPMWPIOBYYBHDN-GOSISDBHSA-N 447.482 5.160 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1ccc2ccccc2n1 916849294 ODZVLBRFECLLIC-UTKZUKDTSA-N 438.314 5.023 30 20 IKED CCOc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3ccc([C@@H](C)CC)cc3)cs2)cc1 916951601 ZHVGZJQSJNSISC-KKSFZXQISA-N 447.560 5.683 30 20 IKED COc1cc(C(C)=O)ccc1OCCCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 917026554 HMABEPPKLKNGBT-LJQANCHMSA-N 434.517 5.057 30 20 IKED N#Cc1ccc(F)c(COC(=O)c2cccnc2Oc2ccc(F)cc2Br)c1 917300920 MDVWVUSVCDUSNO-UHFFFAOYSA-N 445.219 5.143 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(F)cc2Br)cc1 917737423 CPTHAJZRESAQSM-GOSISDBHSA-N 445.313 5.044 30 20 IKED N#CCOc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 920002963 QDDHNDFOARYTFI-UHFFFAOYSA-N 439.393 5.112 30 20 IKED Cn1cc(C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)c(F)c2)c(C(F)(F)F)n1 920846483 HNUVLQPOFIWXFB-UHFFFAOYSA-N 447.310 5.641 30 20 IKED CC(C)c1ccccc1N=C1SCCCN1C(=O)c1ccc(CN2CCCC2=O)cc1 921193084 HQZLHIBLXLQZBC-UHFFFAOYSA-N 435.593 5.199 30 20 IKED C[C@@H](OC(=O)c1occc1CSc1ccccc1)C(=O)N(CCC#N)c1ccccc1 927806318 BQKPLBZIJMPZHF-GOSISDBHSA-N 434.517 5.064 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3sccc3OCC)cc2)CCC1)C(F)(F)F 1785773696 PIKOHIVWWDIHNC-UHFFFAOYSA-N 438.471 5.013 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3cccnc3C)CCC2)cc1 1789453210 OGVVLAQIUHBGIG-DEOSSOPVSA-N 431.580 5.225 30 20 IKED CC1(C)CCC(CC(=O)Nc2ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc2)CC1 1790569647 ZKDFVBUBCSVAER-MTDXEUNCSA-N 449.595 5.439 30 20 IKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)Cc4ccco4)CCC3)cc2)c1 1790795413 GJEXXZHDLRDWRF-IBGZPJMESA-N 441.531 5.086 30 20 IKED Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)CCC#N)CCC3)cc2)c2ccccc12 1792388290 BZMWTVVKYSFCJL-UHFFFAOYSA-N 439.559 5.519 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c3cccc(Cl)c13)C2 1792573937 UCSSPADVBBFFPY-BJWYYQGGSA-N 427.976 5.066 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[nH]n1 1821921136 OYTMYBOVNATPCY-AOMKIAJQSA-N 449.530 5.062 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](c2ccccc2)C(C)C)CC1 1824243665 URZLUSXRCBIBPJ-DHIUTWEWSA-N 446.582 5.257 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cccs2)CC1 1828825465 WXNQQDHSAZVYFF-IJIRNXSHSA-N 426.626 5.149 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc3ccccc23)CC1 1828828877 UISMDBOHAWYMQH-ATIYNZHBSA-N 445.607 5.237 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(OCC)c2)CC1 1830108672 JRQLFQMWVGZTEE-RPBOFIJWSA-N 438.612 5.087 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ccoc3c2)CC1 1830908047 DCCVACDEVBGVOM-QHCPKHFHSA-N 436.596 5.659 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2ccc(C(C)(C)C)cc2)s1 22727286 PXQGCCPFYNOIIK-UHFFFAOYSA-O 445.580 5.971 30 20 IKED C=C(C)CN(CC)C(=O)c1sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c2c1C 25303422 VBRXIQXCIPUXTQ-UHFFFAOYSA-N 441.622 5.240 30 20 IKED C=CCn1c(SCc2c(C)cc(C)c(C(C)=O)c2C)nnc1[C@H]1COc2ccccc2O1 25433090 AAHDAOWSPDGUMZ-JOCHJYFZSA-N 449.576 5.397 30 20 IKED C=CCn1c(SCC(=O)N(C)C(c2ccccc2)c2ccccc2)nnc1-c1ccco1 29548010 FHOWKZXJCRPSLO-UHFFFAOYSA-N 444.560 5.064 30 20 IKED Cc1ccccc1-c1csc(/N=C(\O)c2ccc(=O)n(Cc3ccccc3Cl)c2)n1 31788418 JCLUHFPBRASRDZ-UHFFFAOYSA-N 435.936 5.618 30 20 IKED CCCNC(=O)c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 64301536 FTSXQTORIFFTOG-UHFFFAOYSA-N 429.545 5.243 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1ccc(SCc2cccnc2)cc1)c1ccccc1 110939748 OTKFPWCKMWCSNY-UHFFFAOYSA-N 444.560 5.039 30 20 IKED CCOC(=O)c1ccc(C#N)c(SCc2cc(Cl)ccc2OCc2cccnc2)n1 115699843 AHFBYVQCEABEHU-UHFFFAOYSA-N 439.924 5.050 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(OCC2CCOCC2)cc1 303780702 IMRQJXBEWYBDGD-UHFFFAOYSA-N 435.442 5.328 30 20 IKED O=C(c1ccc(-c2cc(F)c(F)c(F)c2)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 304056838 PTXQBMFSHKMSQU-UHFFFAOYSA-N 441.293 5.728 30 20 IKED CC(=O)c1cc(Cl)c(Cl)cc1OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 434737376 JVMPFKYPQVWPTF-LBPRGKRZSA-N 437.348 5.608 30 20 IKED O=C(c1cc(C(F)(F)F)ccc1F)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 435353542 LMLLBJKDEKIGBE-SECBINFHSA-N 426.357 5.340 30 20 IKED COc1ccc2[nH]cc(C3CCN(C(=O)Nc4ccc(OC(C)C)c(C#N)c4)CC3)c2c1 435545021 HYKFDSIZYOYATN-UHFFFAOYSA-N 432.524 5.247 30 20 IKED Cc1sc2ncnc(SCCC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c2c1C 436359431 JZNJNEDKVRQSJV-RBUKOAKNSA-N 436.606 5.089 30 20 IKED Cc1ccc(CCN(Cc2ccco2)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 438071428 JFZIBRBSCCPDEU-HXUWFJFHSA-N 433.577 6.117 30 20 IKED CCCc1c(NC(=O)c2cccc(Br)c2Cl)cnn1-c1cccc(C#N)c1 440089661 RPWWRVVOQORVMD-UHFFFAOYSA-N 443.732 5.365 30 20 IKED C=CCC[C@@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 441850114 ZSDVOEBSROQDMM-MRXNPFEDSA-N 438.402 5.068 30 20 IKED N#Cc1ccc(Br)c(CNc2cccc(C[S@@](=O)c3ccccc3)c2)c1 442140586 SPOAIKXBAPBTCB-AREMUKBSSA-N 425.351 5.241 30 20 IKED N#CCCCn1cc(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)c2ccccc21 443997424 QRBCXWXYWCZDEJ-UHFFFAOYSA-N 428.467 5.201 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC1CCN(CC(F)(F)F)CC1 444044020 GFQORYWLSBXPQH-UHFFFAOYSA-N 446.473 5.055 30 20 IKED COc1ccc(C#N)cc1NC(=O)N1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 446118459 VTEFDJIHHGQUNJ-KRWDZBQOSA-N 448.548 5.110 30 20 IKED N#Cc1ccc(NC(=O)c2oc3ccccc3c2COc2ccccc2Cl)cc1C#N 460115168 VYHSTXXFUNTKHU-UHFFFAOYSA-N 427.847 5.661 30 20 IKED COCCCOc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 460170901 WARBFAZSDKFAEF-UHFFFAOYSA-N 430.504 5.113 30 20 IKED CC(C)(C)C(=O)N1CCC[C@H](C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)C1 460342377 GWFCJUWVOGYKOB-FQEVSTJZSA-N 437.971 5.030 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccncc3)cs2)cc1 464964039 PTHFQTLSYYEHPS-KRWDZBQOSA-N 440.528 5.669 30 20 IKED C=CCN(C(=O)CCc1c[nH]c2cc(C)ccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 467100666 KIHYIUVPHLBWQY-UHFFFAOYSA-N 446.532 5.660 30 20 IKED COc1cc2c(cc1NC(=O)N[C@@H](C)c1ccc(-c3cccc(C#N)c3)cc1)NC(=O)CC2 467285135 YOAOXTWXNIJTPK-INIZCTEOSA-N 440.503 5.001 30 20 IKED C[C@H](Oc1cnc2ccccc2c1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 470847946 ITNOIJSCUUZWGW-IBGZPJMESA-N 437.499 5.286 30 20 IKED COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)N(CCC#N)Cc1ccccn1 473792988 QUQNDIILIPXERY-UHFFFAOYSA-N 434.471 5.278 30 20 IKED Cc1ccc(-c2noc([C@H](C)NC(=O)Nc3ccccc3S[C@@H](C)CC#N)n2)cc1F 473824224 UWLFSUUUXUCNSF-GJZGRUSLSA-N 439.516 5.461 30 20 IKED CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CNc1ccccc1Oc1ncccc1C#N 476372500 GWFBARLFJVZHHQ-UHFFFAOYSA-N 441.318 5.123 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl 476798743 WLDFGOPHKITFTK-UHFFFAOYSA-N 427.976 6.364 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(F)cc2-c2cnn(C)c2)cc1 477692975 SUGJIVNIDFNFEF-UHFFFAOYSA-N 426.451 5.451 30 20 IKED Cn1cc(CNCc2ccc(OC(C)(C)C)cc2C(F)(F)F)c(-c2ccc(C#N)cc2)n1 478261563 XLJVZQAYDQZTOI-UHFFFAOYSA-N 442.485 5.445 30 20 IKED C=CCC[C@H](N[C@@H](C)c1cc(S(N)(=O)=O)c(C)cc1C)c1ccc(C(F)(F)F)cc1 479426532 XJQHXGGOQWLHBS-JXFKEZNVSA-N 440.531 5.328 30 20 IKED COc1ccc(CN(C)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1OC(F)F 482727820 ZQQVCERLOSZHKJ-UHFFFAOYSA-N 438.430 5.233 30 20 IKED N#CCCN(C(=O)c1ccc(SCc2ccccc2)cc1)c1ccc2c(c1)OCCO2 486197154 PJJRLHQMASYYBS-UHFFFAOYSA-N 430.529 5.311 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 490150952 OCZMMQCOOVTFCG-XMMPIXPASA-N 432.520 5.050 30 20 IKED Cc1cc(C)n(-c2ccc(CS(=O)(=O)Cc3ccc(-c4ccccc4C#N)cc3)cc2)n1 494709247 NCQKREXISUUKAY-UHFFFAOYSA-N 441.556 5.143 30 20 IKED C=CCc1cc(CNC(=O)N(C)[C@H](C)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC 497793067 RUHOHKHRTZNOST-CQSZACIVSA-N 437.367 5.642 30 20 IKED COCC[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(C)o1 498396186 KPDQSMHFOVZVSY-QHCPKHFHSA-N 435.499 5.088 30 20 IKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cc3csc(-c4ccccn4)n3)c2C#N)C1 500359061 MNPJXXGWOKOMOC-CQSZACIVSA-N 436.606 5.470 30 20 IKED N#Cc1ccccc1-c1ccc(Cn2cc(C#N)c(=O)c3cc(Br)ccc32)cc1 502819938 PLMCZUBGEDSPOP-UHFFFAOYSA-N 440.300 5.223 30 20 IKED COc1ccc(CNC2(c3ccc(C(F)(F)F)cc3)CCCC2)cc1OCCCC#N 503892014 JKHMBHWUPNMKRB-UHFFFAOYSA-N 432.486 5.956 30 20 IKED C=CCCc1ccccc1NC(=O)C(=O)N[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C 504035498 HJWOLIYYYCPDLJ-MRXNPFEDSA-N 449.576 5.062 30 20 IKED N#C[C@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccccc1Cl 505635946 MNQZZRGRAUZAGI-KRWDZBQOSA-N 430.316 5.302 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 509095165 NCFLTTGLGGIWFB-UHFFFAOYSA-N 431.495 5.408 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)c1 509447538 JAEXQTIIRSPBAO-UHFFFAOYSA-N 445.906 5.170 30 20 IKED CN(C)Cc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 510003870 FVUUQXPDYKXKGW-QHCPKHFHSA-N 432.955 5.379 30 20 IKED Cc1ccc(OCc2cccc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)c2)cn1 510073378 XKQGAZTVACIELI-UHFFFAOYSA-N 440.528 5.140 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H]3CCc4c(Cl)cccc43)c2)c1 510649800 XYRZWKAKLUJHME-JOCHJYFZSA-N 430.895 5.273 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1sc(C)c(C)c1C#N 510656527 FWFBGRRVWMEZEF-UHFFFAOYSA-N 429.954 5.765 30 20 IKED CC(C)(C(=O)Nc1nc(-c2ccccc2OC(F)F)cs1)c1cc(F)cc(C#N)c1 510873427 VVUUNYATULSJHO-UHFFFAOYSA-N 431.439 5.339 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 515978363 JTNVXQIRUHMQJG-UHFFFAOYSA-N 447.926 5.302 30 20 IKED Cc1ccc(I)c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 518662999 XMFCNUAUGQNQBF-ZDUSSCGKSA-N 436.318 5.104 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 519941527 GEETZIIYVAHBJE-IBGZPJMESA-N 441.462 6.117 30 20 IKED COCCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H](C)c1ccccc1 520179213 UQHUWTREWJRFRB-OAQYLSRUSA-N 443.547 5.573 30 20 IKED Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 520837554 ZVBJRNUVEHUTNK-UHFFFAOYSA-N 447.486 5.598 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2c(Cl)cccc2Cl)cc1C 521327538 RFQBXLBXWTVTOU-UHFFFAOYSA-N 427.335 5.317 30 20 IKED CCN(CC)[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccco1 521461903 POKYQUCMGYNDGP-QHCPKHFHSA-N 432.524 5.457 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2cccc3ccccc23)CC1 521748239 QNCGUYPIUZKLJM-IBGZPJMESA-N 429.589 6.503 30 20 IKED N#CCc1ccc(NC(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)cc1 522092132 IWDJLJIUONFEPW-UHFFFAOYSA-N 443.482 5.126 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2C)cc1 522708329 OXFWFEXDPSBLEU-UHFFFAOYSA-N 430.508 5.526 30 20 IKED N#CCCn1cc(C(=O)CN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c2ccccc21 532518064 DHGLXWQFSLAXMT-QHCPKHFHSA-N 442.346 5.118 30 20 IKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(CN(C)Cc2ccc(C#N)cc2)cs1 533778206 RUUDPISOTOLFAA-UHFFFAOYSA-N 445.375 5.638 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3Cn3cnc4ccccc43)cc2)cc1 534463097 RIMHGZUGBQANJJ-QFIPXVFZSA-N 436.515 5.199 30 20 IKED N#Cc1cccc(COc2cccc(CNc3cccc4c3CN(c3ccccn3)C4)c2)c1 534512061 POFBRHMLVNUXKS-UHFFFAOYSA-N 432.527 5.665 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(Cc3cccnc3)CC2)cc1F 537842724 BQMJLQZEVYXOSQ-UHFFFAOYSA-N 430.483 5.371 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H](C)c1ccc(SC(C)C)cc1 538203172 DPAZUWIJLYGWSH-MOPGFXCFSA-N 425.598 5.182 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N(c3cccc(F)c3)C3CCOCC3)c2)c1 538566841 FLDAREKEZNAQFZ-UHFFFAOYSA-N 430.479 5.102 30 20 IKED CSc1cccc([C@H](NC(=O)Nc2cc(C)n(CCC#N)n2)c2ccc(F)c(F)c2)c1 540815898 ZFRPVYPUGBEIDO-NRFANRHFSA-N 441.507 5.016 30 20 IKED CN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 541658809 SKXBMNWNLLTPDZ-ISKFKSNPSA-N 446.547 5.841 30 20 IKED CCN(C(=O)Nc1cc(C#N)ccc1OCCOC)[C@H](C)c1cccc(C(F)(F)F)c1 542425202 KIINBORAQXGCAO-OAHLLOKOSA-N 435.446 5.217 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 542987709 DNWXRVASNWBFHD-KRWDZBQOSA-N 440.425 5.043 30 20 IKED Cc1cc(C)cc([C@H]2CCN(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)C2)c1 544221279 JLOWNPADPWANES-IBGZPJMESA-N 449.605 5.340 30 20 IKED C=CCOc1c(Br)cc(CNc2cccc(-c3nnco3)c2)cc1OCC 549788697 RXNJGNTTWWHILC-UHFFFAOYSA-N 430.302 5.075 30 20 IKED Cc1ccc(C(=O)Nc2cc(C#N)ccc2NC2CC2)cc1NC(=O)Nc1ccccc1 552585565 IMIZWNNGJWWSMF-UHFFFAOYSA-N 425.492 5.337 30 20 IKED C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(c2ccccc2C(F)(F)F)CC1 555260079 AZIAGOCHIGIEOF-UHFFFAOYSA-N 441.501 5.243 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1ccc(-c2ccncc2)cc1 557559301 KYVHPWFDVPVPFE-RBUKOAKNSA-N 430.577 5.290 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(OC(C)C)cc1C(F)(F)F 558340761 OONGMRIOBYTBJN-UHFFFAOYSA-N 426.435 5.188 30 20 IKED C=CCC[C@@H](Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1)c1ccco1 560553561 GIMIYFFGTGEYDK-DYESRHJHSA-N 426.948 6.065 30 20 IKED N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCO[C@H](c2ccccc2C(F)(F)F)C1 561266865 ZLKYZWKMCLDOCA-INIZCTEOSA-N 437.343 5.120 30 20 IKED Cc1c(C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)sc2ccc(C#N)cc12 571262492 GNASJCKHNQQCJF-KRWDZBQOSA-N 427.529 5.546 30 20 IKED CCNc1ccc(C#N)cc1NC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1 579017301 XAOQOPYPBLKIAK-UHFFFAOYSA-N 431.279 5.116 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N[C@H]3C[C@H](c4ccc(Cl)c(Cl)c4)C3)CC2)c(F)c1 586814568 BIVOMTRCDWMAPF-IYARVYRRSA-N 446.353 5.283 30 20 IKED Cc1ccc(C)c(C(=O)CCC(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c1 589985569 IEGAJAOAQDNWDC-RUZDIDTESA-N 426.516 5.226 30 20 IKED C=CCN(C(=O)c1ccc(CSC)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603459281 JCCOAPRYJKUOLK-UHFFFAOYSA-N 425.535 5.414 30 20 IKED CCCN(Cc1ccc(C)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 603831109 DPHGKRGBQYNAHJ-UHFFFAOYSA-N 427.548 6.084 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(Cn4ccnc4)cc3)cc2Cl)cc1 604193295 CJLNXPUJFXNOMD-UHFFFAOYSA-N 428.879 5.501 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1NC(=O)Nc1ccccc1 607433803 IAVPGIALGUFZHV-SFHVURJKSA-N 444.491 5.878 30 20 IKED COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609209596 DFASHJIWCVYTFS-QFIPXVFZSA-N 427.504 5.598 30 20 IKED Cc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)CC2 609309355 AMWHHQXFCBATEU-QHCPKHFHSA-N 441.556 5.015 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COc1ccc(Cl)cc1Br 609371100 YYMHREUNHWSIQX-GFCCVEGCSA-N 439.762 5.372 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(F)cc4)nc3)cc2)nc1 609504063 MLWXTWCXAHSGBY-UHFFFAOYSA-N 426.407 5.324 30 20 IKED CCCNc1nnc(SCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)s1 609721985 NBDSAQYIIWVZGB-UHFFFAOYSA-N 426.567 5.112 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(CCc1ccc(Cl)cc1)CC1CC1 609744490 JYIIZUKMQRZXOI-QGZVFWFLSA-N 428.001 6.078 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 615080454 GEVOYWYJGWDRER-UHFFFAOYSA-N 445.346 5.804 30 20 IKED O=C(CCc1ncc(-c2ccccc2F)o1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618301001 INRZULZLBABZCD-VXGBXAGGSA-N 438.343 5.003 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@H]1CCCOc2ccc(F)cc21 618948262 OGFIWFWNPBUHPA-HFAKWTLXSA-N 442.375 5.248 30 20 IKED O=C(c1ccc(-c2ccc(C(F)(F)F)cc2)o1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 644905492 HNGBSYLQJAHWDJ-RYUDHWBXSA-N 445.281 5.778 30 20 IKED CC(C)Cn1ncc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1C(F)F 677515296 SVBSSPPQVDXTLA-NXEZZACHSA-N 435.359 5.116 30 20 IKED FC(F)(F)c1ccc(Cn2cc(CN3C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)cn2)cc1 681751509 XVPMESDGEFTARY-GJZGRUSLSA-N 445.329 5.123 30 20 IKED CC(C)(CC(F)(F)F)NC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 682016174 DXLDPGMPCOFNOK-UHFFFAOYSA-N 441.290 5.030 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(Cc1c(F)cccc1F)C1CC1 682848603 AOZBEDHXYUMLNQ-GDNZZTSVSA-N 444.366 5.548 30 20 IKED C[C@H](NC(=S)Nc1ccccc1Oc1ncccc1C#N)c1ccc(Cl)cc1Cl 726462868 MPUWROMTOFTYGX-ZDUSSCGKSA-N 443.359 6.100 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=NNc1ccc(Br)cn1 727266538 XXZWNGYTDYAEDR-UHFFFAOYSA-N 425.117 5.091 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Oc3cccc(NC(=O)c4ccccc4)c3)o2)cc1 727989525 IKRVZQQDCUOCFE-UHFFFAOYSA-N 438.439 5.202 30 20 IKED Cc1cc(-c2noc([C@@H](C)OC(=O)c3ccc(COc4ccc(C#N)cc4)o3)n2)ccc1F 728109800 UELNKZLHRYHYNC-OAHLLOKOSA-N 447.422 5.146 30 20 IKED Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)no1 728121512 IBAKMWRUKFAGSR-OAQYLSRUSA-N 436.899 5.456 30 20 IKED CCCCC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccccc1 728146124 SUUGBKKHWHBHEZ-QHCPKHFHSA-N 442.519 5.122 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)cc1 728766942 PXLHFINDSFOLIX-MZNJEOGPSA-N 445.563 5.379 30 20 IKED N#C[C@H](C(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1)c1nc2cc(F)ccc2s1 730417571 OSXZRLCIKMDKSG-GCJKJVERSA-N 436.508 6.284 30 20 IKED COc1ccccc1Nc1nc(Cl)c(C=NNc2ccc(Br)nc2)s1 732711773 JEJDPLDGXIESKW-UHFFFAOYSA-N 438.738 5.152 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(S[C@@H](C)CC)cc2C)ccc1OC 733630123 LYSMMHMNYDNZFN-HKUYNNGSSA-N 441.597 5.897 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccccc2)[C@@H](C)c2ccccc2)c1 733805659 SYZUXAYELGZKTL-OFVILXPXSA-N 427.548 5.841 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CCCNC(=O)OC(C)(C)C 736970541 ZISACGJVNURWJY-UHFFFAOYSA-N 438.528 5.038 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)O[C@H](C)C(=O)Nc1ccccc1Cl 740329500 RBRMIVXJIHTIRY-GFCCVEGCSA-N 427.806 5.108 30 20 IKED Cc1cc(F)ccc1-c1ccc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1F 743734970 GGAAGYIGYVUMKT-UHFFFAOYSA-N 447.485 5.025 30 20 IKED N#Cc1c(COC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)cn2ccccc12 745266384 XZJOGZZDVRGQPO-UHFFFAOYSA-N 439.258 5.057 30 20 IKED CC(=O)CCc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 745312645 AGVDOCGLLPNZOT-FQEVSTJZSA-N 438.936 5.240 30 20 IKED CC1=C(C(=O)Nc2ccccc2C(C)C)[C@@H](c2cc(C#N)cs2)NC(=O)N1CC1CC1 747961621 XOXNYTGZIJANJC-JOCHJYFZSA-N 434.565 5.132 30 20 IKED C=CCC[C@@H](NC(=O)c1cc(S(=O)(=O)CC)ccc1F)c1ccc(C(F)(F)F)cc1 749943179 HGOODZMRJRSZMU-LJQANCHMSA-N 443.462 5.075 30 20 IKED C#CC[C@H](OC(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1)C1CC1 750773889 BRHYFENLNCKCOC-KDOFPFPSSA-N 438.574 5.031 30 20 IKED N#C[C@H](COC(=O)c1csc(-c2ccc(Br)s2)n1)Cc1ccccc1 750783890 JSZGQWSAICVSIM-CYBMUJFWSA-N 433.352 5.173 30 20 IKED C[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1cccc(C(=O)c2ccccc2)c1 762025250 LNFRCVRWDOBGQF-YWZLYKJASA-N 448.881 5.161 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2cccc(CC[C@@H](O)c3ccccc3)c2)c(Cl)c1 762989771 HVVCOACLUVAMBP-OAQYLSRUSA-N 425.315 5.784 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)cc1 772308698 GPAFGTKGFPFQGB-NQIIRXRSSA-N 449.551 5.177 30 20 IKED CC[C@H](Cc1ccccc1Br)N(C)C(=O)Nc1ccccc1O[C@H](C)C#N 775723958 XLPADRCHFPRCBP-NVXWUHKLSA-N 430.346 5.225 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 780149827 FZDYTQZGMDEONZ-QGZVFWFLSA-N 427.479 5.836 30 20 IKED CC(C)S[C@H]1CCCC[C@@H]1OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 781498803 QPJSSDYVJYTRPS-ICSRJNTNSA-N 443.569 5.019 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)[C@@H](Sc3ccc(F)cc3)c3ccccc3)o2)c1 785877412 PJPKZSANPJKSGN-QFIPXVFZSA-N 445.475 5.324 30 20 IKED COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2S[C@H](C)CCC#N)cc1Cl 787489266 RECGJWZVLBKINW-KAECEXQPSA-N 431.970 5.579 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCC(=O)c2cccn21)c1nc(-c2ccc(Cl)cc2Cl)cs1 789406791 YGLSHYAHGCBJAF-DYVFJYSZSA-N 430.316 5.312 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)c(F)c1 795206514 XDCSUVLAUFKBPI-XMMPIXPASA-N 438.506 5.208 30 20 IKED N#C[C@@H](C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)c1nc(-c2ccccc2)cs1 796649443 HTMPEDMBFIIUQG-KSZLIROESA-N 428.435 5.689 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)cc2)nc1 806269231 GSIXLZYREKECGV-UHFFFAOYSA-N 446.482 5.268 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(Cl)ncc2Br)cc1F 810455773 AKZKFRMCLWMIBE-UHFFFAOYSA-N 446.663 5.553 30 20 IKED N#C[C@@H](C(=O)CSc1n[nH]c(/C=C/c2ccccc2)n1)c1nc(-c2ccccc2)cs1 914530666 NWRGEXDGBYPLFK-DXRVJIQQSA-N 443.557 5.067 30 20 IKED N#C[C@@H](C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1nc2ccccc2s1 915097823 AUJLMRHVHSQSBZ-DOTOQJQBSA-N 444.343 5.084 30 20 IKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 915101648 JJNMNRVUKFATBZ-YLJYHZDGSA-N 449.601 5.364 30 20 IKED Clc1ccc(NN=Cc2sc(N3CCOCC3)nc2-c2ccccc2)cc1Cl 916249396 JLDBLFVOCAORSU-UHFFFAOYSA-N 433.364 5.400 30 20 IKED COc1cccc2cc(C=Nn3c(C)nc4scc(-c5ccc(Cl)cc5)c4c3=O)oc12 916272713 JBNYFXNENGVZRS-UHFFFAOYSA-N 449.919 5.724 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 916903247 QFJSZHFSFVVFAA-MAUKXSAKSA-N 442.943 5.069 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cnc(-c2ccccc2)s1 916908104 LHDMPUYMQOFDJQ-IBGZPJMESA-N 439.496 5.564 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(COc3ccc4ccccc4c3)o2)cc1 916910583 PXLCLJKHPSAQSE-XMMPIXPASA-N 438.483 5.535 30 20 IKED Cc1ccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c(Br)c1 917047173 SQIAZQLZLPTXNP-DGCLKSJQSA-N 449.757 5.664 30 20 IKED C=C(C)CN1C(=O)/C(=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)SC1=S 918783108 SEYUWCWZHNMHOF-VGOFMYFVSA-N 426.510 5.606 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)cc1 920048622 ZRMWZPNELKOSIW-UQBPGWFLSA-N 428.511 5.129 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCCCc1ccc(Br)cc1 920103880 FWXAVPRFJYBESA-LJQANCHMSA-N 437.337 5.543 30 20 IKED Cc1ccc(CN(Cc2cc(Cl)ccc2OCC#N)c2ccc3nc(O)[nH]c3c2)cc1 1642112732 FXSDFPCIERLPLQ-UHFFFAOYSA-N 432.911 5.340 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4cc5ccccc5o4)CCC3)cc2)C1 1785807938 XHCIZBOZPKCOHS-VAWYXSNFSA-N 426.516 5.546 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cnc(-c5ccccc5)s4)CCC3)cc2)C1 1785808598 RJUNLUAPOPUHAI-UHFFFAOYSA-N 443.572 5.524 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)C3CCN(C(C)C)CC3)cc2)CCC1 1786665945 UHAJJUFHCPSWQX-UHFFFAOYSA-N 439.644 5.233 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(F)ccc4[nH]3)cc2)CCC1 1789235840 LRZYIJBRSFDVGZ-UHFFFAOYSA-N 431.511 5.248 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CSC3CCCC3)CCC2)cc1 1789448514 BDRVTBUXKFULOL-QFIPXVFZSA-N 426.626 5.565 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4n[nH]cc4c3)CCC2)cc1 1789451646 PUJYFNQHBPPWDP-QFIPXVFZSA-N 428.536 5.079 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)ccc3F)CCC2)cc1 1790563826 NSNYKCCEEXOAKX-OAHLLOKOSA-N 445.922 5.028 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccoc4)CCC3)cc2)c1 1792127335 WFUATVRETFKSDH-IBGZPJMESA-N 441.531 5.287 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@]4(C)CC4(F)F)cc3)CCC2)c1 1792248279 PTQXLIBUFZTMSZ-WAIKUNEKSA-N 437.490 5.107 30 20 IKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)C[C@H](C)c2ccccc2)[C@H]1c1cccnc1 1803089107 LTPFMFONLKFTQD-NOOLENRPSA-N 445.607 5.050 30 20 IKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)n[nH]1 1821523925 GFPNSBVXHQXEMB-FQEVSTJZSA-N 443.507 5.033 30 20 IKED CC(C)C1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)CCC1 1823216157 PJEJJQMXDRYQEP-AVRDEDQJSA-N 447.583 5.169 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSc2ccccc2)CC1 1824140641 AMYWPSCTRUPIEE-XMMPIXPASA-N 440.653 5.167 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCC(F)(F)CC2)CC1 1824329040 BSUAUTIWSMWVLM-FGZHOGPDSA-N 436.587 5.200 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(OC)c2)CC1 1828827706 SMORPBRCQVDBKB-DQEYMECFSA-N 438.612 5.005 30 20 IKED CCCCC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1 1830716980 FDPSIJZTIABITM-NTKDMRAZSA-N 441.591 5.147 30 20 IKED C=CCOc1ccc(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1OC 16702476 BGVBSECDAJHPCX-UHFFFAOYSA-N 444.698 5.016 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(C)C)nc2cc(Cl)ccc2c1=O 16827249 WQUNLQXXBGXVJJ-OAHLLOKOSA-N 441.984 5.479 30 20 IKED CC(C)c1ccc(CSc2nnc(SCC(=O)Nc3cccc(C#N)c3)s2)cc1 24726582 YALDHUARYSJLLE-UHFFFAOYSA-N 440.619 5.556 30 20 IKED C=CCn1c(SCc2nnsc2Cl)nc2scc(-c3ccc(C)cc3)c2c1=O 29807417 UFZONMXWOOIRSB-UHFFFAOYSA-N 447.010 5.417 30 20 IKED CC[C@@H](C)c1ccc2nc(N(Cc3ccccc3)C(=O)CN3CCC(C#N)CC3)sc2c1 60893328 FWVMVMSOPAAHCG-LJQANCHMSA-N 446.620 5.579 30 20 IKED N#CCC[C@@H](C#N)CSc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccccc1 61716320 LBXVAHXAELYBGV-KRWDZBQOSA-N 442.569 5.650 30 20 IKED Cn1ccnc1SCc1cccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1 78718908 YIXRFGCFGMSSIF-QGZVFWFLSA-N 431.348 5.014 30 20 IKED CCN(C[C@H](C)C#N)Cn1nc(Nc2ccc(Oc3ccccc3)cc2)sc1=S 110494784 ZVGKLFSZFMQTKK-MRXNPFEDSA-N 425.583 5.649 30 20 IKED CC(C)c1c(C(=O)[C@H](C#N)c2nc3ccccc3o2)cnn1-c1ccc(C(F)(F)F)cn1 195557143 KDLUQSRMPUWHGQ-AWEZNQCLSA-N 439.397 5.041 30 20 IKED C[C@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)C(c1ccccc1)c1ccccc1 428203423 XHQMRDZNUOPZCF-NRFANRHFSA-N 434.543 5.414 30 20 IKED CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 431977994 RWVBCYCZAPCKPZ-DEOSSOPVSA-N 443.551 5.307 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCOC[C@H](C4CCC4)C3)cc2Cl)c1 432851071 IVKLUSLPQQKNRL-HXUWFJFHSA-N 439.943 5.071 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@@H]3C[C@H]3c3ccc4ccccc4c3)ccc21 436395253 XQIRNPSKNSVQFF-BJKOFHAPSA-N 438.531 5.100 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C2CC2)[C@@H](C)c2ccccc2Cl)cc1 437833097 AOCBEVIBVQMRCH-SFHVURJKSA-N 437.971 5.912 30 20 IKED COc1ccc(-c2nnc(SCc3ccc(C#N)cc3Cl)n2Cc2ccco2)cc1 438884060 PBQNLYUKZNCFAS-UHFFFAOYSA-N 436.924 5.412 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)Nc2ccc(C3CC3)c(C)c2)cc1 441783615 CHIRKYHSVJAQAN-UHFFFAOYSA-N 441.487 5.122 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)Nc1cccc(CCC(F)(F)F)c1 442025402 LXEKZJMSUHOBPA-CQSZACIVSA-N 435.471 5.010 30 20 IKED Cc1cccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)c2ccccc2Cl)c1C#N 442099298 RYAHVWYRHDRTAG-OAQYLSRUSA-N 438.314 5.018 30 20 IKED O=C(CCC(=O)c1cc(Cl)sc1Cl)NCC#Cc1cccc(C(F)(F)F)c1 445666377 AINVZCJIAIWAHA-UHFFFAOYSA-N 434.266 5.205 30 20 IKED C=CCn1c(SCC(=O)Nc2ncc(C(C)C)s2)nnc1-c1ccc(Cl)cc1 460556348 VCOLDKQYVHLEPB-UHFFFAOYSA-N 433.990 5.095 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H]1c1ccc(COC)o1 460568998 ASRYIJDBDUBFIN-JOCHJYFZSA-N 431.540 5.007 30 20 IKED C=C(C)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 460948926 LJOPINOORALNFP-CQSZACIVSA-N 448.411 5.032 30 20 IKED COc1ccc([C@@H](Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)c2ccc(F)cc2)cc1 462386180 CIQUDQWRRLWIDN-DEOSSOPVSA-N 428.423 5.364 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)CCCCC2=O 463951016 PHBFRUWVCLPYBY-UHFFFAOYSA-N 432.467 5.873 30 20 IKED CC(C)(C(=O)N[C@@H](C#N)c1ccc(Cl)cc1)c1csc(-c2cc(F)ccc2F)n1 464395589 BAIUCEFDIJIUPB-KRWDZBQOSA-N 431.895 5.400 30 20 IKED Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 464475625 OFACJIFOIACJST-CYBMUJFWSA-N 440.208 5.861 30 20 IKED C[C@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)Sc1ccccc1 466314561 PFUVIUJKXJZLQS-QGZVFWFLSA-N 430.533 5.113 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)Cn1c(-c2scnc2C)nc2ccccc21 476087723 COXBIQSPQBCMSG-UHFFFAOYSA-N 430.577 5.959 30 20 IKED Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 477784555 BDPAGVWWYUIYBG-UHFFFAOYSA-N 432.568 5.229 30 20 IKED CC(C)CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H]1CCCc2cccnc21 479361616 OBDFGOJYWJGGTH-HSZRJFAPSA-N 426.520 5.316 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1sc(C)c(C)c1C 481359139 OFAPFEFWUMMQKJ-UHFFFAOYSA-N 442.610 5.069 30 20 IKED C=C(C)[C@H](NCc1csc(CC(=O)Nc2cc(C)ccc2C)n1)c1ccc(F)c(F)c1 481579527 PPUZEEXOKYYAIK-DEOSSOPVSA-N 441.547 5.626 30 20 IKED C=C(C)[C@@H](NCc1ccnc(-c2ccc(Br)cc2)n1)c1ccc(F)c(F)c1 481596408 QYHDLJYTEUVEFE-HXUWFJFHSA-N 430.296 5.591 30 20 IKED CS(=O)(=O)c1cccc([C@@H](N[C@H]2CCCCc3cc(C#N)ccc32)c2ccc(F)cc2)c1 481678438 PXGPRDPMLQVPBX-UIOOFZCWSA-N 448.563 5.248 30 20 IKED CCOc1cc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c([N+](=O)[O-])cc1OCC 481934697 ZVOCDAAYRFRQQB-UHFFFAOYSA-N 447.447 5.308 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccc(Br)cc2)nc1)c1cnc2ccccc2n1 483222856 CKQXYSMFLZHKDM-KRWDZBQOSA-N 445.276 5.070 30 20 IKED Cc1ccc(F)c(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1Br 484700171 KFGUVUPFDSAEOS-UHFFFAOYSA-N 439.284 5.600 30 20 IKED C=CCSc1ccccc1NC(=O)CNc1ccc(C)c(OCC2CCOCC2)c1 487370694 WLRHHHSJNHYHFX-UHFFFAOYSA-N 426.582 5.129 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1nc(-c2ccccc2F)cs1 488329747 OZHVZGHBQPWIHX-CQSZACIVSA-N 426.542 5.665 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(C#N)cc1OC(F)F 489631503 HWIZJMIIGQTQTO-UHFFFAOYSA-N 442.491 5.117 30 20 IKED CC(C)(C#N)c1ccccc1CSc1nnc(-c2ccccc2F)n1Cc1ccco1 489669929 WXSJCRMCPHDRJO-UHFFFAOYSA-N 432.524 5.819 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)Nc1ccc(F)cc1C#N 489957899 OMNPRFVBTRLXST-UHFFFAOYSA-N 434.496 5.288 30 20 IKED CC[C@@H](C)NC(=O)c1cccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 491643419 BBVULIZBBNYUSM-GOSISDBHSA-N 442.519 5.201 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3C[C@@H]3c3cccc(Cl)c3)s2)cc1 493761401 FHCMHHGMIADURH-SJORKVTESA-N 426.954 5.098 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1cc(Cl)ccc1OC1CCCC1)c1ccccc1 494225330 ZNGQRYPYDMLDFL-UHFFFAOYSA-N 439.943 5.327 30 20 IKED O=C(Nc1cccc(F)c1F)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 498954540 FVJUIZRTFGKAJF-UHFFFAOYSA-N 435.274 5.440 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)c(C)c1 500015246 FJWJIQRRNAQLCZ-CYBMUJFWSA-N 446.370 5.097 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(OC2CCCC2)c(OC)c1 502629349 WFNNGXZLQZUQDC-LJQANCHMSA-N 435.568 5.571 30 20 IKED CC[C@@H](C)n1c(SCC(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1ccccc1 504321124 MFHNMMYMYMHVOH-HXUWFJFHSA-N 447.608 5.572 30 20 IKED Cc1ccc([C@@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)N2CCCC2)o1 506466076 ZIRVNWWQZLSAOB-HSZRJFAPSA-N 445.588 5.319 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)c1nc(-c2ccc(F)cc2C(F)(F)F)no1 508058889 YMJDURRIJHDWBA-MRVPVSSYSA-N 436.331 5.422 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2Cl)cc1 508272504 HXUYTQBBMJJKJI-QFIPXVFZSA-N 447.922 6.382 30 20 IKED CCN(C(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1)[C@@H](C)c1ccc(C#N)cc1 509588296 ZDXLSLRHNBKMQK-SFHVURJKSA-N 429.495 5.481 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H]3Cc3cccc(F)c3)c2)cc1 509890424 LQSKGGBGRCHMPL-RUZDIDTESA-N 443.522 5.710 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@H](C[C@@H]3CCOC3)c3ccccc3)cc2)cc1 512195120 JCIWPFDWBAWKAU-HFZDXXHNSA-N 426.516 5.443 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CC[C@H](n3ncc4ccccc43)C2)cc1 512465363 GKXKMFTXLWPXBO-QFIPXVFZSA-N 438.556 5.287 30 20 IKED N#C[C@H](C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1nc2ccccc2n1C(F)F 515539284 RHPNFFMTXOCTRG-LJQANCHMSA-N 440.453 5.924 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)N(CC)[C@@H](C)c3ccc(C#N)cc3)c12 516339041 MQMSPINRHQPRMX-INIZCTEOSA-N 428.492 5.530 30 20 IKED N#C[C@@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1ccc(OCc2ccccc2)cc1 519131103 AUQPJQBSRQLPBA-XZOQPEGZSA-N 438.449 5.683 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(C)n1-c1nccs1 520429601 SRRKVDWXJCBWGA-CQSZACIVSA-N 440.500 5.442 30 20 IKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccn(Cc4ccccc4)c3=O)c2C#N)C1 520434629 XTGZXGWYNQNLCJ-GOSISDBHSA-N 445.588 5.233 30 20 IKED C[C@@H]1CCCCN1Cc1ccc(CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 521108105 SKUCSGJGKLLMGX-HXUWFJFHSA-N 440.547 5.050 30 20 IKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c12 521327251 ZKVMRJKYZMWAOI-HNNXBMFYSA-N 446.532 6.253 30 20 IKED CC(C)Oc1ccc(CC[C@@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 521953838 XMIZUJWZIXFRQN-LJQANCHMSA-N 429.520 5.284 30 20 IKED N#Cc1cc(NC(=O)N2Cc3ccccc3-c3ccccc3C2)ccc1OCC(F)(F)F 522419449 RYGREVYQOCTHFE-UHFFFAOYSA-N 437.421 5.714 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)cc1 523013898 QEGSFZLKISWVPM-QFIPXVFZSA-N 443.522 5.567 30 20 IKED C[C@@H](c1ccccc1)N1CCC(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 523812175 JFEAAPXFSNWSMQ-FQEVSTJZSA-N 425.532 5.306 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1 524305542 TVDAPLJATGCIMT-QFIPXVFZSA-N 439.943 5.275 30 20 IKED C[C@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524683044 AVDADLDRXXMINT-MRXNPFEDSA-N 435.911 5.721 30 20 IKED Cc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1OCC1CCOCC1 524953056 FHFJMFKYIKNLPY-UHFFFAOYSA-N 446.503 5.096 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F 525001727 VHVBPYLFEHFCLY-SJCJKPOMSA-N 427.879 6.017 30 20 IKED C=C[C@H](CC(=O)N[C@H]1CC[C@H](NC(=O)C[C@H](C=C)c2ccccc2)CC1)c1ccccc1 534722409 NTDZOAYAKBZVFY-HNUBOUNVSA-N 430.592 5.250 30 20 IKED COc1ccccc1[C@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccccn1 536350972 OJVVCGUCWAEXBH-MHZLTWQESA-N 449.510 5.060 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC1CCN(Cc2ccc(C#N)cc2)CC1 539496514 NCQHXZGJOZTULC-KRWDZBQOSA-N 434.584 5.445 30 20 IKED Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1ccccc1Oc1ccccc1C#N 539755220 OFKKWIQJHQPTDB-UHFFFAOYSA-N 439.515 5.584 30 20 IKED COc1cc2c(cc1F)CN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3OC)cc1)CC2 540818140 HQNRIWCCFRRLEA-UHFFFAOYSA-N 447.466 5.097 30 20 IKED N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccc(F)c(F)c1)c1ccc(C(F)(F)F)cn1 541200273 IFGLPTGVASNUQH-MRXNPFEDSA-N 430.332 5.100 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1nc(-c2ccccc2)cs1 542589912 HRGFOZIDSPMPRQ-IAGOWNOFSA-N 436.606 5.351 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)n2)c(F)c1 542929096 REELANUINRZWOK-UHFFFAOYSA-N 449.445 5.457 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N3CCC(C#N)(c4ccccn4)CC3)s2)cc1 558656989 SMGVPZHNAGNKJX-LJQANCHMSA-N 445.592 5.150 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 561211719 BZEZBFYBPBHIGK-UHFFFAOYSA-N 436.895 5.308 30 20 IKED CCN(Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1)C(C)C 561975622 PRSKXIDSUILDKK-JOCHJYFZSA-N 428.561 5.402 30 20 IKED C[C@]1(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)OCCc2sccc21 564412583 HIFQMFFFQOGKSH-RUZDIDTESA-N 447.560 5.003 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)on2)c1 566658338 HHPKMSVZEVVPLU-OAQYLSRUSA-N 438.874 5.774 30 20 IKED C=C[C@@H](CC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1)c1ccccc1 568133642 GTUTYZYNQUHRRY-IBGZPJMESA-N 441.413 5.232 30 20 IKED N#CCc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 573405933 KMBPWQJWUDRBIG-UHFFFAOYSA-N 433.471 5.058 30 20 IKED N#Cc1cc(Oc2ccc(NCc3ccc(Br)c4cccnc34)cc2)ccn1 573731942 ODQCMJPMBJVFHE-UHFFFAOYSA-N 431.293 5.668 30 20 IKED C[C@@H](NC(=O)C(C)(C)c1csc(-c2c(F)cccc2Cl)n1)c1ccc(C#N)cc1 574558864 CVJXJVFMIHRHFG-CYBMUJFWSA-N 427.932 5.629 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)c(C)c1 575245280 WARVVFMIXJAOLL-UHFFFAOYSA-N 429.442 5.321 30 20 IKED Cc1cc(N2CCCCCC2)ccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 576657017 QAIBMPOQWQQQAY-UHFFFAOYSA-N 432.568 5.041 30 20 IKED C[C@@H](NCc1ccc(Br)cc1C#N)c1cccc(NC(=O)c2ccccc2)c1 578630637 OTPNOHLVNLHVPB-MRXNPFEDSA-N 434.337 5.424 30 20 IKED C[C@H]1C[C@H]1c1ccc(CN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C2CC2)o1 583782337 HLDAGKPLJOSVPR-QMHKHESXSA-N 428.492 5.658 30 20 IKED C=CCOc1ccc(CN[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1Cl 589649817 LBCNBFWUHXVAIU-GOSISDBHSA-N 427.976 5.012 30 20 IKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[nH]c2c1C(=O)CC(C)(C)C2 590480468 WYIIENKZCUXYIJ-UHFFFAOYSA-N 445.494 5.320 30 20 IKED N#C[C@H](C(=O)c1cc(Br)cc2ccccc12)c1nc2cc(F)ccc2s1 592974798 ZLZNNXPTGOBRCS-MRXNPFEDSA-N 425.282 5.841 30 20 IKED Cc1c(NC(=O)[C@H](C)Sc2nc3c(c(-c4ccco4)c2C#N)CCC3)cccc1[N+](=O)[O-] 598583496 KKECZSFPTAQCNQ-AWEZNQCLSA-N 448.504 5.038 30 20 IKED CCCCN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H](C)c1ccccc1 603618724 GNZAMTCEFZTBAV-LJQANCHMSA-N 446.551 5.413 30 20 IKED COc1ccc(CN(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1OC 603828342 SNEGXRWYGZDCLN-UHFFFAOYSA-N 445.519 5.013 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)NCc1cccc(OCc2cccc(C#N)c2)c1 604473767 AFTVHRFXCXVOGM-IBGZPJMESA-N 439.584 6.420 30 20 IKED Cc1cccc2sc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c(Cl)c12 604534375 JRTVQIULSYAMJH-UHFFFAOYSA-N 437.952 5.226 30 20 IKED N#C[C@H](C(=O)c1ncoc1-c1ccccc1Cl)c1nc2cc(C(F)(F)F)ccc2s1 608552848 GMRAERBUEVWZLL-GFCCVEGCSA-N 447.825 6.114 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)c1 609021838 PHOJPTSWDCXKEX-UHFFFAOYSA-N 436.880 5.154 30 20 IKED Cc1cccc2c1CC[C@@H]2NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 609189639 CWMIMQJZGOPZCZ-QHCPKHFHSA-N 441.556 5.015 30 20 IKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(C)c3ccc(C#N)cc3F)cc12 609215906 ARSMTZHIMIAIAV-UHFFFAOYSA-N 438.915 5.395 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 609221901 JLHGQVRRYPJNFN-OCCSQVGLSA-N 442.947 5.461 30 20 IKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609433956 RXFMKDZENRSJKV-NVQXNPDNSA-N 441.531 5.982 30 20 IKED Cc1ccc(NC(=O)Nc2cccc3c2CCN(c2c(C#N)nnc4ccccc24)C3)cc1 610130246 BHAZDERKVXYUEP-UHFFFAOYSA-N 434.503 5.017 30 20 IKED C[C@@H](NCc1nc(O)c2ccc(C(F)(F)F)cc2n1)c1ccc(-c2cccc(C#N)c2)cc1 611727864 JJGHSEOTKRMZQG-OAHLLOKOSA-N 448.448 5.744 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3c(C)nn(-c4ccc(F)cc4)c3C)n2)cc1 613318004 DGVSJCSZFIXLMK-HXUWFJFHSA-N 430.508 5.550 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C 615080371 ALYMAQRIQYDIEN-UHFFFAOYSA-N 432.568 5.209 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC([C@@H]2CCOC2)CC1 669815369 KBURSIJBZNXQJI-WMZHIEFXSA-N 432.568 5.010 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](c2ccc(F)c(C)c2)C1 670202346 URUGQIINACGOOF-HSZRJFAPSA-N 443.526 5.095 30 20 IKED N#CCCCOc1cccc(/C=C\C(=O)c2ccc(Br)cc2Br)c1 726741316 DUZGSVALUPLPPH-TWGQIWQCSA-N 449.142 5.790 30 20 IKED N#CCSc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728028898 CIAQCXNKGSTXMM-UHFFFAOYSA-N 433.920 5.659 30 20 IKED COC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 728764356 AHJASCWTQYMPDC-OAHLLOKOSA-N 446.315 5.785 30 20 IKED N#CCn1c(C(=O)OCC(=O)Nc2ccccc2Sc2ccccc2)cc2ccccc21 729768223 IDDZHLQIBLLTGS-UHFFFAOYSA-N 441.512 5.112 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(C2CC2)nc2ccccc12 731066915 IUJOXUFFDDSQIP-MRXNPFEDSA-N 445.544 5.302 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 732709187 YVNHYDLOMXLTMX-GOSISDBHSA-N 426.806 5.372 30 20 IKED CCCOc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1OCCC 732916863 UFTQXEGSHRMUJC-HNNXBMFYSA-N 427.570 5.125 30 20 IKED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 737756421 MNQODARDKCOGPV-HXUWFJFHSA-N 441.434 5.033 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(Cl)cc2-n2cccc2)ccc1OC 740454740 RMIRTNPXNOAYNG-GOSISDBHSA-N 438.915 5.142 30 20 IKED N#Cc1ccccc1NC(=S)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl 743008999 KTKZQDLWWMVNKS-QFIPXVFZSA-N 435.936 5.059 30 20 IKED N#Cc1ccc(-c2ccc(OC(=O)CCc3nnc(-c4ccc(Cl)cc4)o3)cc2)cc1 746104830 ZWKBWHVIUMKQRD-UHFFFAOYSA-N 429.863 5.467 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H](c2ccccc2)N2CCSCC2)cc1 746829468 KXWNNNWVEYWQNF-RPBOFIJWSA-N 427.573 5.071 30 20 IKED Cc1ccnc2[nH]c([C@H](C#N)C(=O)CS[C@H](c3ccccc3)c3ccc(Cl)cc3)nc12 750730345 PSHCLISNCWXSNW-DENIHFKCSA-N 446.963 5.619 30 20 IKED CC(C)CN(CCC#N)C(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 751509390 YFVYBWULZNYNNX-UHFFFAOYSA-N 442.585 5.093 30 20 IKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NNc1ccc(C(F)(F)F)nn1 754709890 DZHMPUJUSXBHRI-UHFFFAOYSA-N 448.758 5.108 30 20 IKED Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 756301932 LIPCRIOGVIPROB-JWQCQUIFSA-N 449.558 5.697 30 20 IKED COc1cccc(-c2nn(C(C)(C)C)cc2/C=C\C(=O)c2cccc(N3CCOC3=O)c2)c1 759653975 YFCODFZEZDKPHU-QXMHVHEDSA-N 445.519 5.166 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3ccc(F)cc3OCC#N)cc12 760783608 FNYKRZPNXPGJQO-UHFFFAOYSA-N 440.887 5.343 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)Nc3ccc4nc(-c5ccc(F)cc5)oc4c3)CCO2)c1 761858224 PWERROLGDYRFQZ-HSZRJFAPSA-N 442.450 5.111 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 762018917 KGQDUJQKLQFMFC-HXOBKFHXSA-N 434.495 5.403 30 20 IKED C#CCCCSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccc(Cl)c(OC)c1 766277675 VLCHPIMUUORRDM-ZHZULCJRSA-N 440.952 5.248 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)c1 773025190 PNAJXNMVQHKWCM-IBGZPJMESA-N 444.000 5.487 30 20 IKED Cc1ccc(-c2nc(C(=O)OC[C@@H](C#N)Cc3cccc(Br)c3)cs2)o1 774394372 UZNQGUWPUOCREA-CQSZACIVSA-N 431.311 5.013 30 20 IKED CCO[C@@H]1C[C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)[C@@H]1Oc1ccccc1 776473561 BRSFRXBCACXVAG-SSUZURRFSA-N 441.531 5.089 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(C(F)(F)F)c(F)c1 784491582 WNIZACBQGCCTLQ-GFCCVEGCSA-N 432.345 5.120 30 20 IKED Clc1ccc(CSc2nncn2N=Cc2cc(Br)c(Cl)s2)cc1 790150464 YFOASQCOOJEYEF-UHFFFAOYSA-N 448.198 5.583 30 20 IKED Cc1ccc([C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2ccccn2)cc1 791752059 SJYARUIJPAIRGP-VPUSJEBWSA-N 432.527 5.957 30 20 IKED COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)[C@@H](C#N)c5cnc6ccccc6n5)(C4)C2)C3)cc1 792111112 WFWWOUVIRATLDJ-VREZJZECSA-N 437.543 5.353 30 20 IKED C[C@H](Nc1ccc2c(c1F)CCN(C(=O)OC(C)(C)C)C2)c1ccc(OCC#N)cc1 793574384 SGGCWHJFAWJFOC-INIZCTEOSA-N 425.504 5.194 30 20 IKED C=CC[C@@H](OC(=O)Cn1nc(-c2ccccc2)ccc1=O)c1ccc(Cl)c(Cl)c1 797554220 RBWOOVPBWYUNRP-HXUWFJFHSA-N 429.303 5.078 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(CCC)cc2)[n+]2cccc(O)c2Cl)c1 797800313 XBYOEZFLDCQDPA-UHFFFAOYSA-O 449.983 5.590 30 20 IKED N#CC1(CCCN(Cc2ccccc2)C[C@H](O)c2ccccc2C(F)(F)F)CCOCC1 799162595 YBLUEABNPCLQAB-QHCPKHFHSA-N 446.513 5.342 30 20 IKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2ccc(Cl)cc2Cl)ccc1Cl 801065346 NMZGOBHHLQODQM-UHFFFAOYSA-N 425.699 5.059 30 20 IKED CC(C)C(=O)c1ccc([C@@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 802040951 VFLPWPRIEALXDB-KUHUBIRLSA-N 444.503 5.291 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)[C@H](C)Cc2ccccc2C(F)(F)F)c1 805113669 KOPXIBDLPOTUHW-VQIMIIECSA-N 433.474 5.159 30 20 IKED C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)[C@@H](O)c1ccccc1 808827819 WSTKEFGSBFUNFN-WAIKUNEKSA-N 435.911 5.034 30 20 IKED C#Cc1ccccc1CC(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1 811260419 DHOULNVSRCNCPI-UHFFFAOYSA-N 432.545 5.020 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 812184797 JOBQNAOQOUTRIR-VHFSOBRXSA-N 439.362 5.153 30 20 IKED CC(C)(C)c1csc(NC(=O)C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)c1C#N 815591021 SSFXGRPYLBVBJC-UHFFFAOYSA-N 444.988 5.138 30 20 IKED CSc1nc(O)c(C(=O)N[C@H](c2ccc(CC(C)C)cc2)c2cccs2)cc1C#N 913640802 QLTATLKFCVZLJN-HXUWFJFHSA-N 437.590 5.160 30 20 IKED COc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102721 FSLCDGRZYONNMO-CQSZACIVSA-N 433.316 5.381 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(CC(C)C)C2=O)c1 916206009 NMDSDDJVJGEDPB-FQEVSTJZSA-N 427.545 5.059 30 20 IKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(C3CCCC3)C2=O)cc1 916215544 IGVBLXWPLDYDSZ-JOCHJYFZSA-N 449.576 5.101 30 20 IKED N#CCOc1cccc(NC(=O)N[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)c1 916708444 ADJWWDPFYKBGIV-OAQYLSRUSA-N 426.303 5.807 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc2cc(F)ccc2s1 916905351 NTDITFDVLXTHNA-SFHVURJKSA-N 430.460 5.794 30 20 IKED N#C[C@@H](C(=O)CSCc1ccc(F)cc1)C(=O)Nc1ccccc1Oc1ccccc1 916905930 QNDWNMFLSZNXJB-FQEVSTJZSA-N 434.492 5.199 30 20 IKED N#C[C@@H](C(=O)C(c1ccccc1)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 917044175 RBTUQYLIQNRAKQ-SFHVURJKSA-N 436.458 6.323 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(-n3cccn3)cc2)cs1 917560536 QCMZJXNKTMAGGO-MDWZMJQESA-N 428.517 5.218 30 20 IKED N#CCOc1ccccc1C(=O)Nc1nc(Cc2ccccc2)c(-c2ccccc2)s1 919814405 XKHJJIPRRIIVID-UHFFFAOYSA-N 425.513 5.556 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2c(Cl)nc(Cl)n2-c2ccccc2)S1 920064914 PCAFBCAIQURUAP-WJDWOHSUSA-N 443.359 5.688 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cnc(C(C)(C)C)s2)c1 920369080 IATHNCQPNLEXIN-UHFFFAOYSA-N 429.615 5.214 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)/C(C)=C/c3cccs3)cc2)CCC1 1785818359 AHQUCAVUYMDLBA-VHEBQXMUSA-N 438.593 5.268 30 20 IKED Cc1ccc(CSCCC(=O)NC2(c3ccc(NC(=O)CCC#N)cc3)CCC2)cc1 1787889786 PMTBFLRMEYRFMJ-UHFFFAOYSA-N 435.593 5.056 30 20 IKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2)n2ccccc12 1799098818 SPJKZNJWHSUAFD-XBYSBRQOSA-N 441.575 5.070 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Oc2ccccc2)cc1 1800346534 CCHQCYVRRIWVJB-NUNAXRQHSA-N 446.591 5.723 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)/C(C)=C/c3cccs3)C2)CC1 1804811562 QGBZMMRCQDRKBZ-YMQJMOIJSA-N 426.626 5.151 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC2CCC2)CC1 1824351961 KDQKTTWHCHHGOE-DEOSSOPVSA-N 444.736 5.238 30 20 IKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3sccc3s2)CC1 1828553604 HGADAYNLTCNEFO-LJQANCHMSA-N 442.650 5.390 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 1828822631 KYXOWRHSSGSCKM-BJKOFHAPSA-N 443.031 5.271 30 20 IKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C34CCC(CC3)CC4)CC2)c1 1832390552 XSZSMQMGWQAFKT-FJOOJYTASA-N 447.623 5.070 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(OC)cc2)C(C)C)nnc1-c1cccc(C)c1 10533097 RCBYDVUJGNLRAM-OAQYLSRUSA-N 436.581 5.204 30 20 IKED C=CCN(C(=O)c1ccc(C)c(NC(=O)c2ccco2)c1)c1nc(-c2ccccc2)cs1 20913261 DPTXOIOINOHYIU-UHFFFAOYSA-N 443.528 5.797 30 20 IKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)/C=C/c1ccccc1C#N 29435399 IZLHVAPPKIGDAD-ACCUITESSA-N 432.545 5.269 30 20 IKED C=C(C)CN(CC)C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 57613956 LKCKEFFNDWKTJU-UHFFFAOYSA-N 448.588 5.120 30 20 IKED Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)sc2ccc(F)cc12 108884100 SICGXYWFDRIGFX-UHFFFAOYSA-N 430.504 6.246 30 20 IKED C=CCn1c(SCc2csc(CCC(C)C)n2)nnc1[C@H]1COc2ccccc2O1 115935850 UCZIUCMEDQWMBT-LJQANCHMSA-N 442.610 5.314 30 20 IKED CC(=O)N1CCCc2cc(NC(=O)c3ccccc3Sc3ccccc3C#N)ccc21 116398918 WDSKVMAQFYLSNN-UHFFFAOYSA-N 427.529 5.261 30 20 IKED N#C[C@@H](C(=O)c1cccc(OCc2cccc(Cl)c2)c1)c1nc(-c2ccncc2)cs1 195662787 JGCZPSBFUZKOBJ-NRFANRHFSA-N 445.931 5.928 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1ccccc1C 255930473 JRYBLQMSOWOQPE-MRXNPFEDSA-N 442.972 5.124 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)cc12 301760699 JSHVHOGBKFDTFS-QGZVFWFLSA-N 445.935 5.474 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCSC[C@@H]1c1ccc(Cl)cc1 303684312 STZTUCYBKDOZKF-OXJNMPFZSA-N 446.041 5.320 30 20 IKED COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 409524400 XUZUHDMXBOBIFH-IFMALSPDSA-N 446.478 5.036 30 20 IKED Cc1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)cc1NC(=O)CN1CCCCC1 428196062 ZEDSLRGGICVBRZ-UHFFFAOYSA-N 446.576 5.067 30 20 IKED CCOc1cc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)ccc1OCc1cccnc1 430614697 ZXFWUSVWUVNDBS-GOSISDBHSA-N 435.549 5.303 30 20 IKED CC(C)Sc1c(Cl)cccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 438254737 SASQQHVKFHZUBS-UHFFFAOYSA-N 431.005 5.308 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1F 438645420 DESZHVNADKJIKV-QHCPKHFHSA-N 435.430 5.234 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)C2CCC2)cc1F 441834458 DCORWZASKWIJQV-XMMPIXPASA-N 443.478 5.086 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1ccccc1OC(F)F)c1ccc(C(F)(F)F)cc1 442047915 JQIYYFWOXLGIHH-OAHLLOKOSA-N 442.384 5.069 30 20 IKED CCO[C@H](C)c1ncc(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)s1 442673646 VHQUZRABWLLUGM-VGJAHHAASA-N 441.622 5.655 30 20 IKED N#Cc1cnc2ccc(Cl)cc2c1N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 462790562 JCXUATBRGPUSSI-UHFFFAOYSA-N 445.737 5.029 30 20 IKED C[C@@](Cc1nc2ccccc2s1)(C(=O)NCc1cc(C#N)ccc1F)c1ccccc1 464044838 CBBNPIWGOMGHEH-VWLOTQADSA-N 429.520 5.124 30 20 IKED Cc1ccc(C(C)(C)CN(C)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 470537140 IULPKJAQUGFRHI-UHFFFAOYSA-N 432.568 5.020 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)C2)n1 471808442 GOCSKASXJMDBGF-GHTZIAJQSA-N 443.378 5.149 30 20 IKED C=CCN(Cc1nnc(Cc2ccccc2C)o1)Cc1cc(Br)ccc1F 472800001 RLRNIBHFDPWYMI-UHFFFAOYSA-N 430.321 5.059 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cc2cccc(F)c2o1 475364519 DBPDAYJQJJUFCP-HNNXBMFYSA-N 443.434 5.052 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 476176869 ZRVFXYQMJPLZAS-UHFFFAOYSA-N 440.609 5.211 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c1 477299064 VOEIVERHRWEAKC-UHFFFAOYSA-N 436.861 5.125 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 477584098 ARVREJUNVHIETH-LSDHHAIUSA-N 432.952 5.131 30 20 IKED CCOCCOCc1cccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1C 480032368 WKWJSRIGYNIFRY-UHFFFAOYSA-N 446.572 5.823 30 20 IKED C=CCN(C(=O)c1ccnc(C2CC2)n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 481918084 CXBOUJJCJQFWNH-UHFFFAOYSA-N 438.556 5.977 30 20 IKED C[C@H](NC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F)c1nc2ccccc2n1C(F)F 482382145 HPLFKZDKDGFNKN-BJOHPYRUSA-N 448.342 5.373 30 20 IKED Cc1cccc(CN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)Cc2ccccn2)c1 485110121 UYBLRAJRQPKGBV-OAQYLSRUSA-N 444.604 5.425 30 20 IKED COc1ccc(-c2cc(C(=O)N(CCC#N)c3ccc4c(c3)OCCO4)sc2C)cc1 486195707 MSCTTZPKXSAARL-UHFFFAOYSA-N 434.517 5.064 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc4ccc(Br)cc4[nH]3)s2)cc1 487290415 ISYPQQMPLLXYQS-UHFFFAOYSA-N 437.322 5.102 30 20 IKED C=CCC[C@H](C(=O)Nc1nc(-c2ccc(CCNC(C)=O)cc2)cs1)c1ccccc1 487747282 HEYBAWTZJHLBGE-QFIPXVFZSA-N 433.577 5.177 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N2CCSc3ccccc32)nnc1-c1ccccc1C 488880337 QJIBORMEFTZMKO-QGZVFWFLSA-N 436.606 5.059 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1ccccc1C 488925064 ITEMMFNKEMULPM-HNNXBMFYSA-N 448.508 5.251 30 20 IKED CCN(C)C(=O)c1cccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 496710145 ZXOYQMGXTYPABR-SFHVURJKSA-N 426.520 5.200 30 20 IKED N#CCCCOc1cccc(NC(=O)CCOc2ccc(Cl)cc2Br)c1 498774835 LXLQEQAJYOCQIC-UHFFFAOYSA-N 437.721 5.193 30 20 IKED C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 498945827 BTZQZVCAAKFRHG-CQSZACIVSA-N 439.393 5.643 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc([C@H]3CCCOC3)c2)cc1 499606286 AEDXUFHTBGSFKE-QHCPKHFHSA-N 426.516 5.478 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Cc3csc(-c4ccc(Cl)s4)n3)CC2)cc1 504740478 HJTKTCZRPZCWIO-UHFFFAOYSA-N 443.981 5.009 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1N1CCC(c2c[nH]c3ccccc23)CC1 508493645 YWZGVTFHMQXMQN-UHFFFAOYSA-N 431.515 5.048 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)CC2)cc1 509563897 JPHSCPJMBKWNAO-UHFFFAOYSA-N 438.959 5.277 30 20 IKED COc1ccccc1CN(CCO)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510055206 JNFLRFMHNRJJCB-JOCHJYFZSA-N 449.938 5.030 30 20 IKED CN(Cc1c(F)cccc1Cl)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510240169 VCWJZLPAOXEWGD-UHFFFAOYSA-N 447.948 5.158 30 20 IKED COc1ccccc1[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)N(C)C 510503159 RXFJHZSVZYXWPC-XMMPIXPASA-N 444.535 5.092 30 20 IKED COc1cc(CN(Cc2cccnc2)Cc2ccco2)ccc1OCc1cccc(C#N)c1 511190188 XMCMFAPGOBFWFX-UHFFFAOYSA-N 439.515 5.336 30 20 IKED CC1CCN([C@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C(C)C)CC1 511443012 YWKYUAPDTBGWSF-AREMUKBSSA-N 448.611 5.210 30 20 IKED N#C[C@@H](C(=O)c1cccc(-n2nccc2-c2ccccc2)c1)c1nc(-c2ccncc2)cs1 512979987 FUTYTMNHRZYKKN-QFIPXVFZSA-N 447.523 5.548 30 20 IKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 513197180 NXXCDSYURONREP-LLVKDONJSA-N 440.208 5.861 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2cc(Br)ccc2F)c1 513532888 GMEGJBZLSUGURX-UHFFFAOYSA-N 425.257 5.291 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(Br)c2)cc1 513963266 NUKVWNMPLPXNMV-UHFFFAOYSA-N 438.300 5.694 30 20 IKED N#CCCCOc1cccc(NC(=O)C2(c3cccc(Br)c3)CCCC2)c1 515619824 QTMYWYBVZBTWTB-UHFFFAOYSA-N 427.342 5.582 30 20 IKED CCc1cc(C#N)c(NC(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)s1 515724706 KRGBGEZYQUEUKG-UHFFFAOYSA-N 429.549 5.736 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc(OC(F)F)cc1 518150481 ARNVETJPTWHILH-UHFFFAOYSA-N 430.398 5.494 30 20 IKED COc1ccc(CN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[C@H](C)C2CC2)cc1 520907161 DZWSLMAYIWAQKJ-OAHLLOKOSA-N 447.457 5.341 30 20 IKED N#C[C@@H](NC(=O)COC(c1ccccc1)c1ccccc1)c1cccc(Cl)c1Cl 521292183 JXZRBHFMWBXICF-HXUWFJFHSA-N 425.315 5.480 30 20 IKED CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1 522527463 JOOQMQJUDZRDBA-HKBQPEDESA-N 436.533 5.030 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 522703984 MSGOYKAGXFRNEU-LLVKDONJSA-N 425.398 5.287 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1csc(-c2c(F)cccc2F)n1 523183923 XLHVOYDYZBCKDG-UHFFFAOYSA-N 448.454 5.708 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2csc(-c3c(F)cccc3F)n2)c1C 523535315 IKRKOHRDODPPSL-UHFFFAOYSA-N 435.459 5.015 30 20 IKED N#C[C@H](NC(=O)CCCc1nc2ccccc2s1)c1ccc(OCc2ccccc2)cc1 524332548 IFMSZWCDWGUEFN-QHCPKHFHSA-N 441.556 5.579 30 20 IKED C[C@H]1CN(c2ccccc2NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@@H](C)O1 524500419 NBEWBQJJWAHNEU-BGYRXZFFSA-N 441.531 5.003 30 20 IKED CN1CCC[C@@H](CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@H]1c1cccs1 524645302 MNKDSKCOHVXBQS-UUOWRZLLSA-N 449.551 5.364 30 20 IKED CN1CCC[C@H](CNC(=O)c2cccc(OCc3ccccc3C#N)c2)[C@H]1c1cccs1 525039041 CXZJAJWKPSXWAF-BWKNWUBXSA-N 445.588 5.012 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(C(C)C)cc2)nnc1[C@@H]1COc2ccccc2O1 525623270 QAIGTLAXNDVMFC-JTSKRJEESA-N 449.576 5.464 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1 526101781 AUKVNQWYQUGRHQ-FQEVSTJZSA-N 443.572 5.248 30 20 IKED Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 526938479 ULMQQVMUJRQYQE-UHFFFAOYSA-N 445.588 5.333 30 20 IKED C=C[C@@H](CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1)c1ccccc1 534000616 QUZNLDOSWKYRPS-FQEVSTJZSA-N 434.561 5.403 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(C)n2[C@@H]2CCC[C@@H](C)C2)c1 535332729 KVSSMYBRPFXFNM-LKUPVBHCSA-N 439.629 5.382 30 20 IKED N#Cc1c(Cl)cccc1SCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 536736677 YAYHGYZOSRYONO-MRXNPFEDSA-N 427.938 5.336 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1ccc(F)cc1)C1CCCC1 537108286 MCFNBNXGBASSTJ-MZNJEOGPSA-N 425.573 5.680 30 20 IKED CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1SC[C@H](C)C#N 538523065 DJABTDNRWUVLPF-OAHLLOKOSA-N 429.567 5.991 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCCC2 538680162 NDLOHTQNVWVIIV-GFCCVEGCSA-N 438.519 5.397 30 20 IKED CCOCCOCc1cccc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1C 539150423 YLDOAXARABILAV-UHFFFAOYSA-N 443.547 5.409 30 20 IKED CCc1nccn1C[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 539537857 AVCBLKQYUWGBFM-HXUWFJFHSA-N 429.524 5.114 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c[nH]c2cccc(Br)c12 540209677 XICCTLNVVIYCKU-UHFFFAOYSA-N 447.292 5.550 30 20 IKED Cc1sc2nc([C@@H](C)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)nc(O)c2c1C 542004666 LJFWZUCHGHEWNA-HZPDHXFCSA-N 428.561 5.964 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ccc(Br)s2)s1)c1nc2ccccc2o1 542950494 COFBYNCFRNWKGK-JTQLQIEISA-N 429.320 5.870 30 20 IKED COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1 543285657 QQZFHDUHBPXOAA-ZHRRBRCNSA-N 432.549 5.229 30 20 IKED Fc1cc(CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)ccc1-n1cncn1 547708573 VJWOYZCKHLMMST-INIZCTEOSA-N 432.343 5.209 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C 548955385 FJGMPQAQRMJPFE-CVDCTZTESA-N 436.625 5.361 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC2(c3ccccc3)CCC2)cc1Cl 549366785 YPVVOFRRSNSNGF-JOCHJYFZSA-N 443.934 5.130 30 20 IKED C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)CCCCOc1cccc(C#N)c1 561066903 GUDVJJMXPQLVPF-VGSWGCGISA-N 446.469 5.115 30 20 IKED N#CC[C@@H](CC(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)c1ccccc1 561140995 KTYPFORVGRUOKI-AWEZNQCLSA-N 432.427 5.130 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1 561186149 XQQPXMULOSOSOU-UODIDJSMSA-N 438.527 5.304 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cccnc1Oc1ccc(Cl)cc1Cl 565321096 IYNAUPHDIRAGAE-UHFFFAOYSA-N 447.318 5.485 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)CCSc3ccc4c(c3)OCCCO4)cc2)ccn1 567317973 OGHMAGHDADAQPW-UHFFFAOYSA-N 447.516 5.028 30 20 IKED N#Cc1ccc(NC(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)cc1C(F)(F)F 583096587 NOZQLLLBZYYION-UHFFFAOYSA-N 430.308 5.112 30 20 IKED C=CCN(C(=O)CCN1CCCC1=O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 589894305 DGNXQLALAPFANW-UHFFFAOYSA-N 431.561 5.009 30 20 IKED CN(C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c1)c1ccccc1 591862258 MKPZTBHOSICJBY-JOCHJYFZSA-N 437.524 5.577 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)oc2ccc(Br)cc12 592973217 ASZKKSLLNDVANZ-ZDUSSCGKSA-N 429.270 5.743 30 20 IKED N#CCc1ccc(NC(=O)c2cccnc2SCc2ccc(Br)cc2)cc1 603732123 YHVUDECUJNPKIT-UHFFFAOYSA-N 438.350 5.455 30 20 IKED Cc1cccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c1 608924317 MRPIRZHGIDTEGE-UHFFFAOYSA-N 443.894 5.333 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@H](c3ccccc3)CC2)cc1C 608967313 CIYCSYUWRHDZGW-QHCPKHFHSA-N 426.564 5.491 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)c1 609064861 MSZIOHRPTUWICS-UHFFFAOYSA-N 429.457 5.512 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609209865 QJRFXMWQPPHMQC-UHFFFAOYSA-N 428.448 5.479 30 20 IKED CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C(=O)Nc2ccccc2SCCC#N)cc1 609402308 HEDLPHQYVYGJSC-OAQYLSRUSA-N 435.593 5.292 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(-c3ccc(OC)cc3F)cc2F)cc1 609414045 YUHDKEJNZGXIDW-UHFFFAOYSA-N 436.458 5.600 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 609436757 FBAQAAHTOQXDHP-PXNSSMCTSA-N 427.545 5.433 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)c1 609725264 RZGGMCKGZBSDLN-NLFFAJNJSA-N 446.934 5.902 30 20 IKED C=CCN(C(=O)C[C@@H]1CCOc2ccccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 609783910 SGCVQKVLHIIQNI-KRWDZBQOSA-N 435.505 5.194 30 20 IKED C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 609927711 JAHCHYWUHONUOV-DYESRHJHSA-N 442.494 5.360 30 20 IKED Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 609990164 GDTGSKWZQHNCFQ-UHFFFAOYSA-N 432.911 5.022 30 20 IKED CC(C)c1oc([C@H]2CCCN2C[C@@H](O)COc2ccc(CC#N)cc2)nc1-c1ccccc1 610989544 IQLZRHZEHKFKKF-ISKFKSNPSA-N 445.563 5.108 30 20 IKED CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(C#N)cc1Br 611492031 LTMVXBUYEKJHSS-UHFFFAOYSA-N 443.370 5.112 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 618733400 JVZXYCVTDAFEDC-IBGZPJMESA-N 441.318 5.041 30 20 IKED C=CCCOCc1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1 675736188 LJVVIBWMUBDIEZ-UHFFFAOYSA-N 425.794 5.689 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 684224483 PGDUPUMICWKWDJ-UHFFFAOYSA-N 431.458 5.664 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 726501512 CDCVNHNNNYMOFC-VWLOTQADSA-N 433.467 5.638 30 20 IKED N#CCCCOc1cccc(/C=C2/SC(=S)N(CCSc3ccccc3)C2=O)c1 726802152 UYAPEDOEWBBFBX-CAPFRKAQSA-N 440.615 5.363 30 20 IKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1csc(Cc2ccc(F)cc2)n1 727038173 HGFRPFPKIRENRR-INIZCTEOSA-N 448.306 5.141 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCO[C@@H](c3cccc(F)c3)C2)c1=S 727424819 CPWGLAIIBLBBDM-HXUWFJFHSA-N 444.963 5.091 30 20 IKED Cc1cc(C(=O)Nc2ccc(Sc3nncs3)cc2)c(C)n1-c1ccc(C#N)cc1 728267775 CLOCCSLEEXQKRG-UHFFFAOYSA-N 431.546 5.221 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cc2)C[C@@H](C)O1 728471536 ROMMGNZWVRFMJY-KDURUIRLSA-N 427.504 5.216 30 20 IKED COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 729035956 FUJWQVYFVLBTRT-QVKFZJNVSA-N 435.911 5.592 30 20 IKED CN(C(=O)c1cccc(C(=O)N2CCCSC2=Nc2ccccc2)c1)c1ccccc1 729648176 NIUBHFGQEMWPAX-UHFFFAOYSA-N 429.545 5.230 30 20 IKED C[C@@H](OC(=O)c1cc2ccccc2n1CC#N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 729768835 OMEOBNURXIWCCB-GFCCVEGCSA-N 449.816 5.021 30 20 IKED CCCCCCCC(=O)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 731469501 WTIOYWOIUYDOLO-DEOSSOPVSA-N 427.633 6.062 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 732593489 MVKNBPLJHCMRAX-CCDWMCETSA-N 448.522 5.751 30 20 IKED C=CC[C@@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1)c1ccncc1 734684817 WPLKHUFFIRIALC-HYBUGGRVSA-N 449.576 5.135 30 20 IKED C[C@H](c1ccccc1)N1CCC(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 734930783 YOSPWLTWUUHAEE-JIPXPUAJSA-N 438.575 5.689 30 20 IKED CCCn1c(SCc2cc(Cl)ccc2OCC#N)nc2cc(Cl)ccc2c1=O 735230400 AJRNJGDJRXRLOE-UHFFFAOYSA-N 434.348 5.308 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCC(C(=O)c4ccccc4)CC3)c2)s1 740060671 WTJLIUQYPAGITO-UHFFFAOYSA-N 429.545 5.091 30 20 IKED COc1ccc(Cl)cc1CN(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740060948 YXCQPTGUZXAVTJ-UHFFFAOYSA-N 425.941 5.290 30 20 IKED CC(C)(C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccc([N+](=O)[O-])cc1 740534984 KKHGRUSVHMCBFZ-QGZVFWFLSA-N 425.897 5.526 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)Sc1ccc(Br)cc1 743679483 ZCQZAWWGQWIODW-UHFFFAOYSA-N 432.387 5.033 30 20 IKED N#Cc1ccc([C@@H](OC(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)C(N)=O)cc1 745116094 AOQXFPZTBNMKAN-HXUWFJFHSA-N 441.270 5.041 30 20 IKED CC(C)(C)OC(=O)N1CC(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 746127905 INRLXOAPIMCQSX-HXUWFJFHSA-N 439.943 5.191 30 20 IKED N#C[C@@H](C(=O)CSCc1ccc(Br)cc1F)c1nc2ccccc2s1 748006560 JERZIZLTLNPXFH-ZDUSSCGKSA-N 435.343 5.308 30 20 IKED N#Cc1ccccc1N1CCC(NC(=O)[C@H](Sc2ccccc2F)c2ccccc2)CC1 749530714 QJYVDCLZAVOBRI-RUZDIDTESA-N 445.563 5.316 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)/C=C(/C)c1ccccc1OC(F)F 753393918 IXXURRXQVOKWPT-HMVFGEFZSA-N 448.853 5.009 30 20 IKED Cc1nn2c(nc(N3CCCC3)c3ccccc32)c1C=NOc1ccccc1C(F)(F)F 754712333 MNBVKQPJFGQGGA-UHFFFAOYSA-N 439.441 5.223 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc(F)cc(C(F)(F)F)c1 756233735 OVOYTOGCFUOKTB-GOSISDBHSA-N 442.368 5.598 30 20 IKED O=C(Nc1cccc(/C=C\C(=O)c2c[nH]c3ncccc23)c1)c1ccc(Cl)cc1Cl 761809139 JRPCDOQSRSZQJJ-TWGQIWQCSA-N 436.298 6.018 30 20 IKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 761845556 JXHZGVUUEWEFDG-FQRUVTKNSA-N 441.531 5.612 30 20 IKED CC(=O)c1ccc(Cl)c(S(=O)(=O)O[C@@H](Cc2ccc(Cl)cc2)C(F)(F)F)c1 761931848 NOZTYNYWEZVXFV-INIZCTEOSA-N 441.254 5.075 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(C(C)(C)C(F)(F)F)cc2)ccc1OC 764827437 CLELPUDRFDTSIR-GOSISDBHSA-N 434.458 5.146 30 20 IKED C=C(Cl)COc1ccc([C@H](C)NC2CCN(C(=O)c3ccc(OCC)cc3)CC2)cc1 765363971 PXTPIMGKGSROIM-IBGZPJMESA-N 442.987 5.172 30 20 IKED C[C@@H](OC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1nnc(-c2ccc(Cl)cc2Cl)o1 767637910 ROEXMKJHHAIUMW-GFCCVEGCSA-N 446.290 5.377 30 20 IKED N#C[C@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1cccc(Br)c1 768185626 SCMZWEFOJAJEKW-QFIPXVFZSA-N 443.304 5.054 30 20 IKED C[C@@H](C#N)Oc1ccc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1 768802643 UENHDMFVFIJQJW-YCRPNKLZSA-N 432.351 5.277 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccccc2)Cc2ccc(F)cc2)c1 768943151 DFTLMMSFWQCOMO-XMMPIXPASA-N 431.511 5.419 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N[C@H](C)c2ccccc2C(F)(F)F)c1C(F)F 769144519 VEQZNLJPZPPNJU-MRVPVSSYSA-N 429.311 5.369 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F 769946048 NOOMAOCIDLTKER-LPGQDOADSA-N 448.872 5.758 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H](C)c2sc(-c3ccc(F)cc3)nc2C)ccc1OC 772980546 SNOHUABWUXSBOQ-FOIQADDNSA-N 439.556 5.798 30 20 IKED CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](N[C@@H](CCC#N)c3ccccc3)c3ccccc3O2)C1 773086364 ILFGGGUYDOREBJ-WCYRKSIYSA-N 447.579 5.524 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3ccccc3O[C@H](C)C#N)c3cnn(C(C)C)c3n2)c(C)o1 780163261 YXWRYLCHCAPRJJ-MRXNPFEDSA-N 443.507 5.432 30 20 IKED CC(C)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1[N+](=O)[O-] 784491772 ZVCKGJSSZIWNGV-HXUWFJFHSA-N 443.459 5.472 30 20 IKED CC[C@H](CN(CC)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 785184505 ROOXAFPEFVNRTB-RLWLMLJZSA-N 439.559 5.323 30 20 IKED CC(C)(C)n1ncc2c(O)nc(NN=C3CCC[C@@H]3c3cccc(C(F)(F)F)c3)nc21 789017697 JXWASWGLXJBKGI-CQSZACIVSA-N 432.450 5.041 30 20 IKED COc1ncc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)cc1Cl 789158822 YQWUWTGWFSHRCV-KTKRTIGZSA-N 427.287 5.545 30 20 IKED COc1cc2c(cc1OC)C(=O)/C(=C/c1csc(COc3ccc(Cl)cc3)n1)C2 794960750 HESQPUHVHBZBJD-RIYZIHGNSA-N 427.909 5.215 30 20 IKED N#C[C@@H](C(=O)CCSCc1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1 796631241 GUGOPZHHLSAYOX-NRFANRHFSA-N 430.529 5.450 30 20 IKED Cc1ccc(N2CCOCC2)cc1NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 797599434 UTKCFNBZSVCXOE-UHFFFAOYSA-N 427.504 5.056 30 20 IKED CC(=NNc1ncnc2cc(-c3ccc(Br)cc3)sc12)c1cnoc1C 799475174 QRPIMMCSXREYID-UHFFFAOYSA-N 428.315 5.253 30 20 IKED COc1cc(/C=C\C(=O)c2cc(C)c(C)o2)ccc1OCC(=O)Nc1ccccc1Cl 799898210 WNNNCWXCMKGZSM-NTMALXAHSA-N 439.895 5.472 30 20 IKED N#CC1(CCCOC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CC3)CCOCC1 800077052 YGYBNYOONQDTBW-HTXNQAPBSA-N 442.515 5.572 30 20 IKED N#Cc1ccc(Cl)c(C(=O)OCC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c1 803831618 WSNXEIGHVFLQTJ-SFHVURJKSA-N 437.710 5.039 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1cc(C(F)(F)F)ccn1 813212169 YXJJLUPZWOEBNV-LJQANCHMSA-N 432.405 5.443 30 20 IKED Cc1nc(C)c2c(C)c(C=Nn3c(S)nnc3-c3ccc(Cl)cc3Cl)sc2n1 874064708 PJNLSTFXBOBFBF-UHFFFAOYSA-N 449.392 5.353 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COC(c2ccccc2)c2ccccc2)cc1 915087516 UOVHJBFBCGIEHF-MHZLTWQESA-N 432.523 6.087 30 20 IKED CC(=NNc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccc2c(c1)CCC(=O)N2 915954761 LCKXPXGDDGSMEM-UHFFFAOYSA-N 431.496 5.218 30 20 IKED Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)c1ccc(C2CCCCC2)cc1 916137023 AHQHXRKPQBARTG-ZCPJJFRWSA-N 447.000 5.148 30 20 IKED COc1cccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)c1OC(C)C 916277083 SSXBOMJGBSOHPZ-UHFFFAOYSA-N 437.352 5.219 30 20 IKED CCCCCNC(=O)[C@H](C#N)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 916877555 UNEQCIFWMINNCM-GOSISDBHSA-N 437.590 5.217 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C/c1cc(C)n(C2CCCCC2)c1C 916904142 XGQYQBKMWVNITG-KVACCUTFSA-N 445.607 6.096 30 20 IKED N#C[C@@H](C(=O)Cc1ccc(-n2cccc2)cc1)C(=O)Nc1ccccc1Oc1ccccc1 916907528 IPLYZYURWJRXSL-QHCPKHFHSA-N 435.483 5.160 30 20 IKED Cc1cccc(-c2nc(CC(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cs2)c1 916927858 DCQHEDVOKODNOF-MRXNPFEDSA-N 444.343 5.315 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(OCc3csc(C)n3)c2)cc1 916955839 VFSANODILSMWEE-MWTRTKDXSA-N 447.560 5.505 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccccc2OC(F)F)cs1 917562226 WMXSGLYYSWSLMC-XFXZXTDPSA-N 428.460 5.634 30 20 IKED O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1nnc(C(F)(F)F)s1 918151435 UHZGKFHNFNMMTP-OWOJBTEDSA-N 435.271 5.246 30 20 IKED N#Cc1ccccc1NC(=S)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21 918162921 CTTLCRGAFOMIBA-UHFFFAOYSA-N 430.508 5.099 30 20 IKED FC(F)Sc1ccc(NC(=S)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 918721104 BCKZMHCVLLGGFJ-DTORHVGOSA-N 438.409 5.761 30 20 IKED Cn1cc(/C=C\C(=O)c2ccc(N3CCCCC3)c(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 920063893 KDYLXFVNHXJORP-WQLSENKSSA-N 434.471 5.021 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CCc3cncc(C)c3)CCC2)cc1 1786102375 LIWSYQPBGRYVIS-UHFFFAOYSA-N 431.580 5.225 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4sccc4F)cc3)CCC2)c1 1786523262 UFFXVPMRLCTNLH-MRXNPFEDSA-N 447.535 5.576 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3cccc(OC)c3)cc2)CCC1 1788358198 VPOYHUIGVJVIDJ-UHFFFAOYSA-N 441.531 5.081 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4nccc-4c3)cc2)CCC1 1788460261 YOFROVSZWYYGRV-UHFFFAOYSA-N 428.536 5.031 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(-c4cnccn4)c3)cc2)CCC1 1790083082 KGMKLRAJBJPFLF-IBGZPJMESA-N 440.547 5.104 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3SCC)CCC2)cc1 1791296410 VSFHVKDGXBSUGI-UHFFFAOYSA-N 445.535 5.153 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[nH]n1 1821921513 SUCPHKVJTLWDKL-JPYJTQIMSA-N 445.567 5.231 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sccc2OCC)CC1 1823644459 ZFHWNZMXSFPOSS-OAQYLSRUSA-N 444.641 5.149 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)nc(CC)c2)CC1 1827927165 XZPNFWAZHBUXSG-XMMPIXPASA-N 439.644 5.178 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccn(C)c23)CC1 1828273202 ZRCCKKNKBHDXHU-RUZDIDTESA-N 447.623 5.180 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sccc2Cl)CC1 1829447786 DGCFXFHTSBAIJT-UYAOXDASSA-N 435.033 5.403 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1831372692 HBBRNBGTCOWVHA-VGSWGCGISA-N 442.003 5.267 30 20 IKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 1832828322 HGKKVPUKRMUYTJ-ILBGXUMGSA-N 443.031 5.113 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)n(C)c1C)=C(/S)Nc1ccc(F)c(Cl)c1 10760411 FORJUWUWDBMROK-UHFFFAOYSA-O 444.983 5.335 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(C)c3)o2)nc2sc(C)c(C)c2c1=O 17652944 PDFOZJBZDXNEEI-HNNXBMFYSA-N 438.578 5.473 30 20 IKED C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 22132626 IAIOSLWJQKLSOJ-NSMHLIOHSA-N 444.560 5.579 30 20 IKED C[C@H]1CCCN(Cc2csc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)n2)C1 33230504 JCSYVEWTBHGDTG-SFHVURJKSA-N 446.576 5.078 30 20 IKED O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc(N2CCOC2=O)c1 60097782 YNZQWISPZLKNFS-VAWYXSNFSA-N 446.890 5.445 30 20 IKED C=CCN(C(=O)c1snnc1CC)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 61048887 CYULOBDOOIECBF-UHFFFAOYSA-N 432.574 5.724 30 20 IKED Cc1ccc(C#N)cc1NC(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1 63962140 CHQYEPFHZCDXIT-UHFFFAOYSA-N 448.320 5.442 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccccc4F)n3)n2)cc1 64686884 WEUVITBRWJFPMP-MRXNPFEDSA-N 435.505 5.571 30 20 IKED N#CCCCOc1cccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)c1 110400009 LFKWZIALDWQGQW-AQTBWJFISA-N 442.903 5.349 30 20 IKED N#Cc1ccccc1COc1cccc(CNCc2cccc(COC3CCOCC3)c2)c1 237839260 WGJWDJMVBUATOM-UHFFFAOYSA-N 442.559 5.123 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(C)cc1-c1nc2ccccc2[nH]1 409610018 DEIFIHMAQWEOTE-UHFFFAOYSA-N 440.503 5.216 30 20 IKED Cn1c(C(F)F)nc2cc(C(=O)N[C@H](c3ccc(OC(F)F)cc3)C(F)(F)F)ccc21 409927480 UEUIGXFXCLLJFK-CQSZACIVSA-N 449.326 5.146 30 20 IKED CC(C)CCN(CCC#N)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 429099674 NSWIIDRPEVFTSK-UHFFFAOYSA-N 446.473 5.751 30 20 IKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(C#N)cc2Cl)cc1 430367670 UBEJDEKYWICKOR-UHFFFAOYSA-N 435.936 5.503 30 20 IKED N#CCCn1cc(CNCC2(c3c(Cl)cccc3Cl)CCC2)c(-c2ccncc2)n1 433331017 DLXMSSJREAEDRK-UHFFFAOYSA-N 440.378 5.377 30 20 IKED Cc1c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cnn1-c1ccccc1 435545010 HVWLPEAIOAPFJQ-UHFFFAOYSA-N 439.494 5.426 30 20 IKED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C)c(Oc2ncccc2Br)c1 436418871 YGFOCIYPEXHJLM-KXBFYZLASA-N 446.345 5.048 30 20 IKED Cc1cnc([C@@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C2CC2)s1 437960911 HFMAFHCCHYBYHR-QFIPXVFZSA-N 432.549 5.483 30 20 IKED C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 438813373 XHARYJIONWLBIF-MSOLQXFVSA-N 429.545 5.227 30 20 IKED CCCc1c(NC(=O)N[C@H](C)c2cccc(OC(F)F)c2)cnn1-c1cccc(C#N)c1 439665209 KNSVLVHXRQLOMR-OAHLLOKOSA-N 439.466 5.181 30 20 IKED COc1cc(F)c(NC(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1F 444861206 RZEANLSMLVOAFJ-CQSZACIVSA-N 442.306 5.807 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(c2cccc3cnccc23)C[C@H]1C 446160001 CITAQLGHZDQRNI-RBUKOAKNSA-N 445.592 5.229 30 20 IKED N#C[C@@H]1N(C(=O)c2oc3ccccc3c2COc2ccccc2)CCC[C@]12CCCCO2 448536811 HJOXXEOOTMSKOQ-JYFHCDHNSA-N 430.504 5.079 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnc(O)c(Br)c2)cc1Cl 460724001 YXZXYJZZTVFHIZ-MRXNPFEDSA-N 442.700 5.111 30 20 IKED C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 460961360 VHESZQGRUXWDEY-UKJXKGGGSA-N 436.625 5.331 30 20 IKED C=CCNC(=O)c1ccc(N[C@@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)nc1 462951563 RALVDBVDNFCVTC-QFIPXVFZSA-N 425.504 5.199 30 20 IKED Cc1c(Br)cccc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 463295087 IKTTXKDUHOBICT-UHFFFAOYSA-N 435.321 5.655 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1cccc(-n2cccn2)c1 465208292 SZYBZPSJPRVLTD-QGZVFWFLSA-N 426.451 5.166 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nnc2n1CCCCC2 466979858 VJWWFBVKWZPSID-KRWDZBQOSA-N 441.318 5.594 30 20 IKED N#CCC[C@@H](NC(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1)c1ccccc1 467222325 JDFSPBVRJWXZIF-WOJBJXKFSA-N 430.321 5.480 30 20 IKED COC(=O)C[C@H](NC(=O)c1cccc(SCC#N)c1)c1ccc(-c2ccccc2)cc1 471679492 YRZYNPWDRWNUAQ-QHCPKHFHSA-N 430.529 5.003 30 20 IKED Cc1csc(NC2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)n1 473673892 FYEDBCANWHJKRT-UHFFFAOYSA-N 433.537 5.224 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)[C@H]1CCC[C@H](C(F)(F)F)C1 474262112 DLIOBPOOPPWVKI-FPMFFAJLSA-N 435.330 6.184 30 20 IKED N#CC1(c2ccc(C(=O)N[C@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)cc2)CC1 474272562 ZGZABZZTPDFJHP-QGZVFWFLSA-N 426.360 5.684 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCc1nc(C2CCCC2)no1 474723020 NHQNAECMWCVQBG-UHFFFAOYSA-N 432.499 5.212 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)[C@@H](OC1CCOCC1)c1ccccc1 475576310 WBCDOLXYBPKILS-FQRUVTKNSA-N 436.596 5.985 30 20 IKED C=CCc1cc(CNC(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)cc(OC)c1OC 475908946 XSSYKURDBWGIKF-GOSISDBHSA-N 431.536 5.055 30 20 IKED Cn1cc(CNCc2cn(-c3ccccc3)nc2-c2ccccc2)c(-c2ccc(C#N)cc2)n1 479945292 AFYFQJNKBKCBMK-UHFFFAOYSA-N 444.542 5.101 30 20 IKED O=C(NC[C@H]1CCCC[C@@H]1C(F)(F)F)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 482215267 RBLJDZQSNJUHPJ-ABAIWWIYSA-N 437.359 5.129 30 20 IKED CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)C[C@H](CC#N)c2ccccc2)nc1C 483142948 KNACNYQBDAEQTO-NRFANRHFSA-N 447.560 5.249 30 20 IKED C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Br 485397611 XCILYJFBFHRWSP-NSHDSACASA-N 445.791 5.155 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1C 485850455 SXNZDUKDPMIMKZ-UHFFFAOYSA-N 443.894 5.454 30 20 IKED Cc1cccc(-c2nc(CC(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cs2)c1 487326850 ZRCZGJYJFYWXDR-UHFFFAOYSA-N 430.558 5.219 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(C)Cc1ccc(C#N)cc1 497488335 KZXVMFUHVLBGSL-OAHLLOKOSA-N 425.941 5.147 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCC(=O)c1ccc(Br)cc1 497582404 MIYACJXOLZAESK-HNNXBMFYSA-N 445.382 5.835 30 20 IKED COc1cc(C(=O)Nc2sc3c(c2C#N)CCCCC3)ccc1OCc1cscn1 498292362 LUXOWBFYABSYEO-UHFFFAOYSA-N 439.562 5.185 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2F)nnc1-c1ccc(F)cc1 501624623 DIDLUKQLYQLFJJ-GFCCVEGCSA-N 434.899 5.182 30 20 IKED O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1cccc(-n2nccc2C(F)(F)F)c1 501670987 FMWJNXNJVOHMEA-UHFFFAOYSA-N 447.310 5.224 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccccc2)nc1)c1nc(-c2c(F)cccc2F)cs1 503417278 FFWVCTQBKDHAQM-INIZCTEOSA-N 433.439 5.766 30 20 IKED N#C[C@H](NC(=O)c1ccc([C@H]2CCCOC2)cc1)c1ccc(OCc2ccccc2)cc1 504539259 PWELQWQTQVVISL-AHWVRZQESA-N 426.516 5.154 30 20 IKED O=C(CN[C@@H](c1c(F)cccc1F)C(F)(F)F)Nc1c(Cl)cccc1C(F)(F)F 506277987 XEFMTILGNXNZFQ-HNNXBMFYSA-N 446.725 5.469 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@H](c2ccccc2OC)C1 508848914 OTXLNABHIUXDBI-WOJBJXKFSA-N 448.567 5.005 30 20 IKED C=CCn1c(SCC(=O)NCC(C)(C)c2cccs2)nnc1-c1ccc(Cl)cc1 510401731 JOEPBYXBLDVJON-UHFFFAOYSA-N 447.029 5.032 30 20 IKED CCOc1cc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)ccc1OC 512731154 RDXVTVRAPYTXAA-UHFFFAOYSA-N 445.519 5.061 30 20 IKED N#C[C@H](C(=O)c1cccc(OCc2ccc(Cl)cc2)c1)c1nc(-c2ccncc2)cs1 512970620 UBRURKRENLYBBA-OAQYLSRUSA-N 445.931 5.928 30 20 IKED COc1cc(C)ccc1Oc1ccc(N[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1F 513159605 MAKPXMCVLSACAQ-KRWDZBQOSA-N 425.504 5.078 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(N2CCc3ccccc3C2)cc1 517461843 QHRKYUPSDFCPIM-LJQANCHMSA-N 427.573 5.753 30 20 IKED Cc1c(C(=O)Nc2ccccc2S[C@H](C)CC#N)oc2ccc(Br)cc12 518241073 ULJUIJQTZOYKIT-GFCCVEGCSA-N 429.339 6.150 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 518682978 CJHASJAFHKPYAN-AWEZNQCLSA-N 434.392 6.442 30 20 IKED C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC(Oc2cccc(C#N)c2)CC1 519201272 FMWJWMCJCXEUKJ-HNNXBMFYSA-N 442.441 5.231 30 20 IKED N#CCc1ccc(NC(=O)CC2(CC(=O)Nc3ccc(CC#N)cc3)CCCCC2)cc1 519236559 HVRQSGMZFOBBHQ-UHFFFAOYSA-N 428.536 5.127 30 20 IKED CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 520117006 PPWHJUGOWPTRNU-SBUREZEXSA-N 432.907 5.604 30 20 IKED COCc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)oc2ccccc12 520835640 RGCGDQNYTLMGAK-UHFFFAOYSA-N 434.439 5.856 30 20 IKED C=CCN(Cc1ccccc1)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 522766113 CFAASNOKDKHCPK-FYYLOGMGSA-N 445.529 5.486 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)sc1-c1ccc(F)cc1 524014663 RHWAKQJEJZCXJY-LJQANCHMSA-N 443.528 6.348 30 20 IKED CC(C)(CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)Cc1ccccc1 524222131 FYZGBMJEOILCRZ-UHFFFAOYSA-N 427.548 5.722 30 20 IKED Cc1csc(-c2cccc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c2)n1 524810200 QEYCXBKHZRPTDG-MRXNPFEDSA-N 446.557 5.198 30 20 IKED N#CC1(c2ccc(C(=O)N3CCCC[C@H]3C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)CC1 537432822 BKTZUCOFWSEYEK-FQEVSTJZSA-N 442.346 5.182 30 20 IKED C[C@H](Cc1ccccc1)n1cccc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 538044144 AHWQWMMDYJZHKI-GCJKJVERSA-N 436.540 5.777 30 20 IKED N#CC1(c2ccc(C(=O)Nc3sc4c(c3-c3nc5ccccc5[nH]3)CCCC4)cc2)CC1 538492851 RUCHMBPHZLYERF-UHFFFAOYSA-N 438.556 5.978 30 20 IKED C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1nc(-c2ccncc2)cs1 538609291 WASWUDVJHDMHKG-SFHVURJKSA-N 426.545 5.507 30 20 IKED N#Cc1ccc(CN(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)C2CC2)cc1 541480458 ROMXOBYDJMQOPN-UHFFFAOYSA-N 436.968 5.252 30 20 IKED C[C@@H](CN(C)C(=O)c1ccccc1)c1nc(-c2cn(CCC#N)c3ccccc23)cs1 542520877 NLVQJVRIWMTPFA-SFHVURJKSA-N 428.561 5.554 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)C(c1ccccc1)c1ccccc1 542559007 KQSDBJZPIFFNBK-SFTDATJTSA-N 443.616 5.687 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)NCc1cccc(C#N)c1F 543499489 VSHAMKQCVVYOME-LBPRGKRZSA-N 430.346 5.743 30 20 IKED CC(C)N(C[C@@H](O)COc1cccc2ccccc12)C(=O)Nc1ccc(C#N)cc1Cl 543622699 XPPOAGYTOBYUBA-LJQANCHMSA-N 437.927 5.047 30 20 IKED Cc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1C(=O)N(C)C 543880801 VRXVQFFYHBMDPR-SFHVURJKSA-N 426.520 5.118 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)n2)cc1 544044899 NMLYOPTZEWLHNW-UHFFFAOYSA-N 440.406 5.608 30 20 IKED C=C(C)Cn1c(SCc2nc(Cc3c[nH]c4cccc(C)c34)no2)nnc1-c1ccco1 547087556 BKYHKTLWFFFDSR-UHFFFAOYSA-N 446.536 5.170 30 20 IKED C=C(C)Cn1c(Cc2ccc3ccccc3c2)nnc1N1CC[C@]2(C1)OCc1ccccc12 549690764 ZERJWSLEIYASSO-MUUNZHRXSA-N 436.559 5.234 30 20 IKED N#Cc1cc([N+](=O)[O-])c(N[C@H]2CCc3c(O)cccc32)cc1N[C@H]1CCc2c(O)cccc21 553401607 RNXWXXCIJVXNRZ-PMACEKPBSA-N 442.475 5.076 30 20 IKED CC(C)c1ccc2occ(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c2c1 553991441 AHLQJPGMKBSHSL-INIZCTEOSA-N 431.517 5.635 30 20 IKED C[C@H]1CN(C(=O)c2cc(C#N)ccc2Cl)c2ccccc2N(Cc2ccccc2)C1=O 556923999 GYGXRANVKWRQJQ-KRWDZBQOSA-N 429.907 5.041 30 20 IKED N#Cc1ccc(-c2nnc(N3CCC(OC4CCCCC4)CC3)n2Cc2ccccc2)cc1 558935408 OAHQFYHENXPFOX-UHFFFAOYSA-N 441.579 5.183 30 20 IKED C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1cc(C#N)ccc1Cl 563269951 ZRUBXJQXMKTBSL-OKILXGFUSA-N 430.335 5.520 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 579381653 WATWNVLSWGVWOT-JTQLQIEISA-N 434.418 5.034 30 20 IKED COc1ccc(Br)c2[nH]c(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)cc12 581703246 GSWMBVWFHMHAGC-NSHDSACASA-N 432.343 5.183 30 20 IKED CCCN(Cc1ccc(C#N)cc1C(F)(F)F)C1CCN(C(=O)c2ccccc2)CC1 589497600 RJFPEGHHLHXRFN-UHFFFAOYSA-N 429.486 5.094 30 20 IKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc(-c3ccccc3)nc21 591862422 PWELBOTZGWEZAH-SFHVURJKSA-N 437.528 5.779 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)COCc1nc2ccccc2s1 603532702 LMBGATLGNKPVHQ-UHFFFAOYSA-N 445.519 5.366 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1cccc(Cl)c1Cl 603601168 CCXBPXUHIBPKJM-UHFFFAOYSA-N 434.304 5.162 30 20 IKED C[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1ccccc1C(F)(F)F 604044466 RLBAVFOXIWXIJI-MRXNPFEDSA-N 439.437 5.595 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c2)c1 604690966 SQVMJQVWBLJZGN-HXUWFJFHSA-N 442.425 5.372 30 20 IKED COc1ccc(NC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)cc1F 608763565 PDJYLEVMMHRGEV-UHFFFAOYSA-N 447.310 5.310 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3cccc(F)c3)C2)cc1Cl 608994890 VSYUIYQADSQALU-UPVQGACJSA-N 449.913 5.740 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cc(-c2ccccc2)no1 609078867 RSIZEFLLPYCWIR-UHFFFAOYSA-N 438.487 5.422 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(OC[C@@H]4CCCO4)c3)cc2F)c1 609104141 PTSJIVCHQABSTD-QHCPKHFHSA-N 446.478 5.086 30 20 IKED Cc1ccccc1CN1CCC(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 609306436 LUXNRRAPSYBQGP-UHFFFAOYSA-N 443.522 5.193 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl 609500537 SJZWYCPOEIOGFV-ROUUACIJSA-N 438.314 6.103 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1)C(C)C 609743913 QITOTRQVFRVQMP-UHFFFAOYSA-N 443.507 5.146 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2ccc(F)c(F)c2)n(Cc2ccc(F)cc2)c1C 610169427 YRPMSTJWFOIZAL-UHFFFAOYSA-N 429.467 5.173 30 20 IKED COc1ccccc1[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccco1 610875385 HADKTZVEWCDKBX-XMMPIXPASA-N 440.459 5.258 30 20 IKED CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 611398271 JFKXPHJFOUQWTC-UHFFFAOYSA-N 434.477 5.407 30 20 IKED Cc1onc(-c2ccccc2Cl)c1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 613402017 ZNIUIGISAZYCMY-ZDUSSCGKSA-N 426.810 5.538 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1 615500939 QZXJYHOBSBIXHV-UHFFFAOYSA-N 437.471 5.208 30 20 IKED O=C(C[C@H](c1ccccc1)C(F)(F)F)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 622585216 UWMWKVMOXHYCII-MJGOQNOKSA-N 433.367 5.839 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2cccc3ncccc23)C(C)C)nnc1-c1ccccc1 637753370 NTJLCIVLXHTQDV-JOCHJYFZSA-N 443.576 5.435 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCOC[C@@H]1c1c(C)nn(-c2ccccc2)c1C 669727271 FMGKRJBKLAUULI-XMMPIXPASA-N 430.552 5.213 30 20 IKED FC(F)Oc1c(Br)cccc1CN1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 676890042 RIJYVVHBZQBLOY-IUCAKERBSA-N 442.144 5.223 30 20 IKED Cc1nn(C)c(C)c1[C@H](NC(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1)C(F)(F)F 679131023 GDHNEYVUJUDQIC-ZDUSSCGKSA-N 444.326 5.116 30 20 IKED C[C@@H](OC(=O)c1occc1COc1cccc(C#N)c1)c1nc2ccccc2n1C(F)F 726497753 BZIJTFOQTUIXFY-CQSZACIVSA-N 437.402 5.393 30 20 IKED COc1ccc(COCCCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 727589676 YTHAGKNPNKBVEN-RUZDIDTESA-N 429.520 5.079 30 20 IKED CN(C(=O)C1CC1)c1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 729319734 OLSYDMGECNJWLC-QFIPXVFZSA-N 443.934 5.621 30 20 IKED N#CCOc1ccc(CNCc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1 729685288 DRPIWOWWAXOXFG-UHFFFAOYSA-N 434.499 5.478 30 20 IKED N#CCOc1ccc(CNCc2ccc(OCc3ccccc3)c(Br)c2)cc1 729685408 RUPNAKSHSDIFAT-UHFFFAOYSA-N 437.337 5.220 30 20 IKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CCC2)c1 730460938 IVYHJNOHWLNNHH-FQEVSTJZSA-N 443.519 5.040 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2nc3cc(Cl)ccc3s2)cc1 730688207 UPHOXMYXLWYHQP-KDOFPFPSSA-N 439.968 5.743 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NCc3ccc(N4CCSCC4)cc3)cc2)cc1 732059207 WDCVPFRCZFXNAP-UHFFFAOYSA-N 443.572 5.028 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)ccc1OC 733278752 WNQPJBWKICKFKM-LJQANCHMSA-N 431.536 5.056 30 20 IKED C=CC[C@@H](NC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1)c1ccncc1 734662999 GECNEUQKIZHEMO-YADHBBJMSA-N 436.353 5.550 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)c3ccccc3NC(=O)c3cccs3)c2)s1 739750046 PJDMLTJHMWNVSL-UHFFFAOYSA-N 443.553 5.531 30 20 IKED C#CCOc1ccccc1CNC(=O)N(C)[C@H](C)c1sc(-c2ccc(C)cc2)nc1C 740060422 KEMKAOZFAJBXCH-LJQANCHMSA-N 433.577 5.342 30 20 IKED O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc(-c2ccncc2)c1 741472074 DWYLMRBHWSZUQS-VAWYXSNFSA-N 438.914 6.550 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)c1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)cc1 742387107 DVLBQPKLBHNUCC-IBGZPJMESA-N 445.567 5.662 30 20 IKED C=CC[C@H](NC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)Cc1cccs1)c1ccncc1 745827858 OHJFZTRSINKHIZ-MBSDFSHPSA-N 440.012 6.257 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnc(-c3ccc(C)cc3C)s2)cc1 747111811 RVSSPPHBKFWPRS-IIBYNOLFSA-N 431.561 5.902 30 20 IKED O=C(Nc1cccnc1)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1ccccc1 747127743 IXWFOFNUIQPCIY-PXLXIMEGSA-N 439.427 5.155 30 20 IKED Cc1nnc(SCc2c(C(=O)Nc3cccc(OCC#N)c3)oc3ccccc23)s1 748620706 LAHDMCQCEUGBSQ-UHFFFAOYSA-N 436.518 5.040 30 20 IKED N#C[C@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1cccc(Br)c1 749615244 LTFVKONTOUXTPG-KRWDZBQOSA-N 433.396 5.312 30 20 IKED CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N(C[C@H](C)C#N)C2CC2)c1=S 754174117 DEJGQEPCDDZGCK-MRXNPFEDSA-N 446.020 5.075 30 20 IKED Cc1cc(C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c(C)n1-c1ccc(C#N)cc1 756634644 NBZHGOKKPKHELF-NOZRDPDXSA-N 431.511 5.097 30 20 IKED C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCO[C@@H](c3cccs3)C2)c1=S 765080089 ZMRTWAKDXQMXEK-QGZVFWFLSA-N 433.002 5.013 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2SC(F)F)nnc1-c1ccccc1C 765359843 NOHOMGLLYKSWPA-UHFFFAOYSA-N 446.548 5.485 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 770444123 GARQBZXRJRTUFE-LPHOPBHVSA-N 446.617 5.143 30 20 IKED CC(C)(O)c1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 775518566 CYRZCOHKMNGHNQ-JOCHJYFZSA-N 433.939 5.545 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 775619362 DFEPJHNPUQOEOJ-UHFFFAOYSA-N 435.336 5.857 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](CC)c2cc(F)cc(Br)c2)c1 776876989 DYCHVQASMLVAEO-AZUAARDMSA-N 448.336 5.220 30 20 IKED Cn1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1NC(=O)Cc1ccccc1CC#N 776885356 ZKNCWHIMCJDHIE-UHFFFAOYSA-N 432.833 5.007 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12 780168188 WRUMVBVJRIUZAM-QGZVFWFLSA-N 427.479 5.836 30 20 IKED N#C[C@@H](C(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1)c1nc2cc(F)ccc2s1 780358654 NPXAETAGBCVQPS-ZFWWWQNUSA-N 436.537 5.138 30 20 IKED Oc1c(C=Nn2c(S)nnc2CSc2ccccc2)cc(Cl)c2ccccc12 782245040 HAWUBTBHTHNISX-UHFFFAOYSA-N 426.954 5.254 30 20 IKED COc1ccc(-c2cc(C(=O)[C@H](C#N)C(=O)NCc3cccc(Cl)c3)sc2C)cc1 786533126 DTVQWVYVHMIEQQ-FQEVSTJZSA-N 438.936 5.024 30 20 IKED COc1cc(/C=C/C(=O)c2cncs2)cc(Br)c1OCc1ccccc1 787172488 WSNPZPQAYGRWHR-BQYQJAHWSA-N 430.323 5.389 30 20 IKED N#CCOc1ccc(COC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 787835904 XUCNDNLEUYBCDY-UHFFFAOYSA-N 446.290 5.012 30 20 IKED N#CC[C@H](CC(=O)OCc1ccnc(-c2ccc(Br)cc2)n1)c1ccccc1 795984284 XIRCFFFOIQMKGN-GOSISDBHSA-N 436.309 5.037 30 20 IKED O=C(Oc1ccc(C(F)(F)F)cc1F)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 796997807 DKRCGTOZJNVBEC-UHFFFAOYSA-N 436.327 5.080 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F 797447428 AVYIKNFAZSMJGP-OAHLLOKOSA-N 446.569 5.046 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc2ccccc2cc1NC(=O)C(C)C 804558932 MTFHKTKDRKINQU-UHFFFAOYSA-N 432.568 5.430 30 20 IKED Cc1nc(SC(F)F)sc1CC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 810822822 BZNMFUJFYNXQBO-UHFFFAOYSA-N 432.477 5.006 30 20 IKED CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(c3nc(-c4c(Cl)cccc4Cl)no3)C2)C1 904306924 OGJKHBKDOZDBGP-LAMFTWINSA-N 449.338 5.298 30 20 IKED COc1cc(/C=C\C(=O)c2ccccc2F)ccc1OCC(=O)Nc1ccccc1Cl 916136288 DZYIPUKIHXNFSX-BENRWUELSA-N 439.870 5.401 30 20 IKED COc1cccc(/C=C\C(=O)c2ccc(Br)cc2Br)c1OC 916140409 SALMMUZIHPVJSD-TWGQIWQCSA-N 426.104 5.125 30 20 IKED Clc1ccc(CSc2nncn2N=Cc2ccccc2OCc2ccccc2)cc1 916546325 LPKYVKAFBGIDMP-UHFFFAOYSA-N 434.952 5.685 30 20 IKED N#C[C@@H](C(=O)CCc1ccc(Cl)cc1Cl)c1nc(O)c2c3c(sc2n1)CCCC3 916847108 LSJZGVBLRSXWFE-AWEZNQCLSA-N 446.359 5.392 30 20 IKED COc1cc(C(C)=O)ccc1OCCCC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917046134 GBKGTSTUTZKDCJ-MRXNPFEDSA-N 442.924 5.196 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(CN3CCOC3=O)c2)cc1 917189028 ZXGGHDREEYMECS-UHFFFAOYSA-N 443.528 5.055 30 20 IKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)sc2nc(C(F)(F)F)ccc12 917426171 JGROOIRQSNVABD-LLVKDONJSA-N 437.830 5.238 30 20 IKED COc1ccc(C)cc1C(=O)/C=C/c1csc(N(C(C)=O)c2ccc(Cl)cc2)n1 917560454 ZDYRSEOYOLMOCS-JXMROGBWSA-N 426.925 5.694 30 20 IKED CSc1nc(O)c(C(=O)N(c2cccc(Br)c2)C2CCCCC2)cc1C#N 1265280052 QGABLBIITZFKFU-UHFFFAOYSA-N 446.370 5.123 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cn(C)nc3C(F)F)cc2)CCC1 1788838065 HLVYSASMBHQNMQ-UHFFFAOYSA-N 444.526 5.098 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C3CC3)cc2)[nH]n1 1814828871 VWJPFCJIQIKVMT-HSZRJFAPSA-N 432.568 5.361 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3ccoc3c2)[nH]n1 1819308962 JCBHXGZPWHCPHJ-FPOVZHCZSA-N 432.524 5.230 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2scnc2C2CC2)CC1 1825643679 LYQUZRLNNQTVCL-HXUWFJFHSA-N 443.657 5.246 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C(F)(F)F)CCC2)CC1 1826761256 IIHYBAYKAXVNBF-UXHICEINSA-N 440.550 5.107 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc(C(C)(C)C)cc2)c1 11083060 PTKZMJSAPCWWDU-UHFFFAOYSA-O 449.615 6.387 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cccc(Cl)c2)cc1 22730576 KGMDLAUCQPFCFS-UHFFFAOYSA-O 431.915 5.519 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ncc(-c2ccc(OC)cc2)o1 41647572 YVLTVIWQQVXAQR-UHFFFAOYSA-N 448.548 5.307 30 20 IKED O=C(Nc1cc(Cl)ccc1F)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 63667171 NKEBVSZADFTXRM-UHFFFAOYSA-N 445.718 5.614 30 20 IKED COc1ccc(C#N)cc1NC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 64743432 UMZNHPVDCFZNDR-UHFFFAOYSA-N 437.503 5.083 30 20 IKED N#CCCSc1ccccc1NC(=O)Cn1c(COc2ccccc2)nc2ccccc21 78668553 WRPMNHBYPOIAQJ-UHFFFAOYSA-N 442.544 5.260 30 20 IKED CC(C)CC(=O)Nc1cccc(CNCc2cccc(OCc3ccccc3C#N)c2)c1 236654528 IHKXIWUBMBMBDD-UHFFFAOYSA-N 427.548 5.412 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)c1-c1ccccc1 428647320 YPRRHPLZCOXWSI-UHFFFAOYSA-N 443.894 5.557 30 20 IKED COc1ccc(CN(CCc2ccccn2)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)cc1 432271208 YORQKBWJKLUFDR-UHFFFAOYSA-N 444.535 5.026 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(Cl)cc1-c1ccccc1Cl 434776229 QOSKMNDOROOQIL-UHFFFAOYSA-N 438.314 5.129 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1 435612530 GLIMMQINMXRIFH-LLVKDONJSA-N 446.401 5.046 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C2CC2)[C@H](C)c2ccc(Cl)cc2)cc1 437852512 QOAFSLVTAMLILL-GOSISDBHSA-N 437.971 5.912 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)NCc1ccc(Sc2ccccc2)cc1 438420089 VYGWUMUSHRUKTC-UHFFFAOYSA-N 447.585 5.098 30 20 IKED N#Cc1ccc(NC(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)cc1C(F)(F)F 438644461 BFHFSCYCUCMFHN-UHFFFAOYSA-N 442.416 5.388 30 20 IKED CCCc1c(NC(=O)c2ccccc2CCC(F)(F)F)cnn1-c1cccc(C#N)c1 440087213 BIWGRVLYTUPXDK-UHFFFAOYSA-N 426.442 5.444 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)N[C@@H](CCC#N)c2ccccc2)nc1-c1ccccc1 440244958 PLRZNWWLLQUNBS-GOTSBHOMSA-N 442.563 6.357 30 20 IKED CCOc1ccc([C@H](NCC(=O)Nc2ccc(CC#N)cc2)c2cccc(Cl)c2)cc1 443456326 UHTCWMPNWSKDPY-VWLOTQADSA-N 433.939 5.122 30 20 IKED CCCCOc1ccc(C(=O)Nc2c(C#N)c(SC)nn2-c2ccccc2)c(Cl)c1 445562126 ZJWMSKZZVXWUQW-UHFFFAOYSA-N 440.956 5.550 30 20 IKED CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 460269998 MHBICLFDHLJVPH-NRFANRHFSA-N 439.567 5.151 30 20 IKED Cc1ccccc1[C@@H]1CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@H](C)CO1 460401938 DZYZNDCSLXQHIJ-IBVKSMDESA-N 426.516 5.048 30 20 IKED C=C(C)Cn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N1CC=C(COC)CC1 460556736 HSOPIPUFAYHVFB-UHFFFAOYSA-N 441.535 5.112 30 20 IKED C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H]1c1cc(C)ccc1C 460804215 NIUOITXBHHLWTR-QFIPXVFZSA-N 440.551 5.128 30 20 IKED Cc1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c(Sc2ccc(Cl)cc2)c1 461317621 PFCJMDITTDLRKI-UHFFFAOYSA-N 445.935 5.504 30 20 IKED CC[C@@H](C)N(C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccc(C(N)=O)cc1 463597562 BNQKTUWVHQNHOK-MRXNPFEDSA-N 447.922 5.548 30 20 IKED Cc1cc(C2CC2)nc(NC(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)n1 464598642 NOZIGTJOENALNE-UHFFFAOYSA-N 447.564 5.253 30 20 IKED N#CCCN(CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 466864467 UJOPZCBWPQMPPT-UHFFFAOYSA-N 443.834 5.318 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)c1cccc(C#N)c1 466880590 AWRRBVOQHQUBLU-GFCCVEGCSA-N 426.339 5.244 30 20 IKED Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 468163670 HJDPNZOWVWUYOU-IBGZPJMESA-N 429.520 5.670 30 20 IKED N#Cc1cccc(-c2cc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)on2)c1 469332040 PQUVYGCOJUQHDN-UHFFFAOYSA-N 425.410 5.252 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3Cl)ccc21 469951587 YCBVTLSTZCGPEV-RBUKOAKNSA-N 442.346 5.319 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 470649839 WLYRHVBTLDHHFF-UHFFFAOYSA-N 426.560 5.297 30 20 IKED CC[C@H](NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2)C(F)(F)F 470796204 HJLAVEDKDWBZLV-GULXMPTCSA-N 439.362 5.566 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CSc1nnc(-c2cccc(C)c2)n1CC 476169806 YUUZCHVJGZVGCA-UHFFFAOYSA-N 434.609 5.856 30 20 IKED CO[C@@]1(C)CCCN(C(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)CC1 477837371 JOLDRWZGASRTKT-DEOSSOPVSA-N 441.597 5.056 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 479663435 HLHTVVGOLZIYBB-UHFFFAOYSA-N 439.431 5.005 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)cc1 480119027 QVLBEFYFEIWVKP-UHFFFAOYSA-N 449.580 5.575 30 20 IKED CC(C)c1ccc([C@H]2CCCCN2C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)cc1 480996632 DWYNRCNLDRNBKY-WZONZLPQSA-N 439.581 5.255 30 20 IKED CCCc1c(NC(=O)N2CCCn3c(cc4ccccc43)C2)cnn1-c1cccc(C#N)c1 482400535 ZHIPTJXNLCSXNP-UHFFFAOYSA-N 438.535 5.089 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)cc1 483109112 OUQSFYVVGFNTJH-UHFFFAOYSA-N 433.414 5.008 30 20 IKED O=C(Nc1ccccc1C#Cc1ccccc1)N1CCC2(CC1)OCCc1ccsc12 493911629 HNYRKXFJJZFTRK-UHFFFAOYSA-N 428.557 5.244 30 20 IKED C=CCc1cc(CNC(=O)N(C)[C@@H](C)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC 497793066 RUHOHKHRTZNOST-AWEZNQCLSA-N 437.367 5.642 30 20 IKED C[C@H](Oc1ccc(F)cc1Br)C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 498471848 QWWLWVOSBHVVLQ-BJOHPYRUSA-N 446.103 5.043 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(NC(=O)CC)cc1 502621566 LCRFQPZCZMTZKF-UHFFFAOYSA-N 434.309 5.157 30 20 IKED C=CCn1c(S[C@H](C)c2ccc(C(F)(F)F)cc2)nnc1[C@@H]1COc2ccccc2O1 503678494 ZLJHQECZZVYOAF-KUHUBIRLSA-N 447.482 5.849 30 20 IKED Cc1nc(CSc2ccc(C(=O)Nc3nc(C)c(SCC#N)s3)cc2)cs1 504699128 DWCYWEFOIROAMR-UHFFFAOYSA-N 432.621 5.377 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 504972747 KFKGQZKNXIIUBV-DEOSSOPVSA-N 432.955 5.512 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(OCC(F)(F)F)c(Cl)c3)CC2)cc1 504994469 PIJOERYDIFTYEA-UHFFFAOYSA-N 435.833 5.474 30 20 IKED CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 505326689 PCDARZXLLDDAGN-QFIPXVFZSA-N 447.516 5.280 30 20 IKED COc1cc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)ccc1OCc1cscn1 505815709 PGRYSUPGDAMRPL-HXUWFJFHSA-N 435.549 5.023 30 20 IKED N#C[C@H](NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1)c1ccc(Cl)cc1 505820534 KZDQKHODYSOLKN-IBGZPJMESA-N 434.908 5.016 30 20 IKED Cc1sc(NC(=O)CN[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c(C#N)c1C 505825523 MNYZCWONIGQZEG-OAHLLOKOSA-N 435.393 5.087 30 20 IKED CCN(CC#N)C(=O)c1cc(/C=C\c2cccs2)nc2ccc(Br)cc12 509217514 KYDNLZSSNDPFJL-SREVYHEPSA-N 426.339 5.215 30 20 IKED C=CCOc1c(Br)cc(CN[C@H](C)c2ccc3n[nH]cc3c2)cc1OCC 513022913 ZUPOBHDYIRDHMQ-CQSZACIVSA-N 430.346 5.140 30 20 IKED N#CCCCOc1cccc(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c1 516985099 DDKBCAJYTBTYMY-HSZRJFAPSA-N 432.486 5.645 30 20 IKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1SC[C@H](C)C#N 517461501 JTSGRLODXDKQSW-GFCCVEGCSA-N 446.359 6.461 30 20 IKED C[C@@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)NC(=O)c1ccccc1 517821509 RFCHKOJCTBVOJE-HTAPYJJXSA-N 431.923 5.143 30 20 IKED C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 518147779 JIVIPEBCJFALEH-GUYCJALGSA-N 447.482 5.558 30 20 IKED Cc1ccc([C@@H]2CCCN2C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1C 518789499 FEPYPNXINPZMFB-QFIPXVFZSA-N 444.535 5.003 30 20 IKED C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(Br)cc1Cl 519407171 ZNJKPPWUDWMNSQ-LLVKDONJSA-N 445.791 5.155 30 20 IKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccccc1 520936248 WQLGWVYIBDDXDB-HSZRJFAPSA-N 427.504 5.193 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1ncnc2sc3c(c12)CCC3 521720941 YVQDWHSLZQTQLY-ZDUSSCGKSA-N 440.619 5.305 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1 521748341 SORLPIQGJMLGAO-QBIMZIAESA-N 430.371 5.378 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 521813313 GHSXBNILKWTKHO-GFCCVEGCSA-N 427.879 5.804 30 20 IKED Cc1nc(-c2ccccc2)c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)s1 522198498 ULXMQECLKXJJDJ-UHFFFAOYSA-N 425.513 5.822 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC(c3ccc(O)cc3)CC2)c1 522636191 QGBYYFMVRLGFPX-UHFFFAOYSA-N 432.907 5.729 30 20 IKED C=CCn1c(SCc2nnc(C(C)C)o2)nc2sc(-c3ccccc3)c(C)c2c1=O 524030121 NIHAMHYMANGDBX-UHFFFAOYSA-N 438.578 5.418 30 20 IKED CCc1c(C)sc(NC(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)c1C#N 524330369 IJTPYHJLANLJQE-ZDUSSCGKSA-N 445.997 6.059 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3sccc3Br)cc2Cl)c1 524392421 IBYQJPBGODIWQQ-UHFFFAOYSA-N 447.741 5.867 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCc4ccc(Br)cc43)c2)c1 524488282 KMMLFZRKRRQQAU-UHFFFAOYSA-N 433.305 5.103 30 20 IKED O=C(Nc1cc(F)c(F)c(F)c1)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 524959416 IIMBYSSWHMYGCM-UHFFFAOYSA-N 447.253 5.238 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCO[C@@H](c3ccccc3C)C2)cc1 525232156 CBMFITSGUDRNOT-RUZDIDTESA-N 443.503 5.273 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1ccccc1)c1ccc(F)cc1 532701941 DIKUEHGEMBDPAI-AVRWGWEMSA-N 433.552 5.538 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H](C)c1ccccc1Br 533567900 SGNOBOGIFBIAHG-HUUCEWRRSA-N 432.387 6.068 30 20 IKED Cc1cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)ccc1C(=O)N(C)C 534890338 PMLZPDMZDQMCPK-UHFFFAOYSA-N 433.895 5.267 30 20 IKED CCc1nc(-c2ccccc2NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)n[nH]1 534933335 XIOFZHTWSHLFQQ-UHFFFAOYSA-N 443.894 5.604 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C)n(-c4ccc(C)cc4)n3)n2)cc1 537477441 MHYHKLDRACYSRP-HXUWFJFHSA-N 428.517 5.111 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccccc1I 537588078 ZMAMSMVKFDDADK-UHFFFAOYSA-N 440.240 5.207 30 20 IKED CCc1nc2c(s1)[C@H](N(C)C(=O)NCc1ccc(-c3ccccc3C#N)cc1)CCC2 538105807 GKWUSFZQIVTDRT-JOCHJYFZSA-N 430.577 5.463 30 20 IKED N#Cc1ccc(-c2nnc(CNC3(c4noc(C5CCCCC5)n4)CCCCCC3)o2)cc1 543558204 CRUTZFHDOGETHI-UHFFFAOYSA-N 446.555 5.378 30 20 IKED N#Cc1ccc(CCc2nc(-c3ccccc3-c3ccc(CN4CCCC4=O)cc3)no2)cc1 545036505 YFPIUNMEDDYGAP-UHFFFAOYSA-N 448.526 5.183 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1-c1nc([C@@H]2CCO[C@@H](C)C2)no1 545803888 SNWUWYGVJQDUGL-GOEBONIOSA-N 438.553 5.358 30 20 IKED N#Cc1ccc(OCc2cccc(-c3nc(-c4ccccc4NC(=O)C4CC4)no3)c2)cc1 546290818 UTUFRMXMVMMIBC-UHFFFAOYSA-N 436.471 5.203 30 20 IKED COc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(C(F)(F)F)c1 554210182 BUMNOPIHTLNSMX-UHFFFAOYSA-N 426.394 5.825 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(OCC2CC2)c(Cl)c1 555045149 BIVNODKGLPMINE-HNNXBMFYSA-N 430.957 5.541 30 20 IKED C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@]2(C1)OCc1ccccc12 555260956 WUXCRHSEYZQTKM-RUZDIDTESA-N 432.593 5.091 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CSc3nc4ccccc4o3)cc2F)c1 556581146 RORLORFHGYPXEQ-UHFFFAOYSA-N 433.464 5.148 30 20 IKED N#CC1(c2ccccn2)CCN(Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 558622288 UQJPGDVJIVJPTP-UHFFFAOYSA-N 425.561 5.053 30 20 IKED C=C(C)Cn1c(COc2ccccc2Cc2ccccc2)nnc1N1CCC(CC#N)CC1 558995589 GMMXKZKLLKKZLW-UHFFFAOYSA-N 441.579 5.154 30 20 IKED N#Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4c5ccccc5CCN4C3=O)cc2Cl)cc1 568429380 QJENUCFEFXXPRR-QFIPXVFZSA-N 429.863 5.070 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 568900175 WNHROTPFTVEPSX-UHFFFAOYSA-N 444.556 5.122 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2 575067058 UBDKLKFDJXHSFQ-YIYPIFLZSA-N 449.313 5.039 30 20 IKED CC(C)CCN(CCC#N)c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1Cc1ccccc1 576798238 VQXKHIJZQNXPEF-DQEYMECFSA-N 443.595 5.338 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(-c2ccc3c(c2)CCC3)n[nH]1 581461746 HVDMMTLLEQBBEV-OAHLLOKOSA-N 449.605 5.085 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)c(C)c2c1 581586820 SUXKOKYIROFTKF-UHFFFAOYSA-N 430.382 5.285 30 20 IKED CC(C)c1nc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)nn1-c1ccccc1Cl 592974576 UMJTVVMUYFMICS-ZDUSSCGKSA-N 439.903 5.283 30 20 IKED CC(C)CN(C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccc(C#N)cc1 603529624 ABGAFAZQPGGRCN-UHFFFAOYSA-N 439.437 6.067 30 20 IKED N#C[C@H](C(=O)c1sc2cccc(Cl)c2c1Cl)c1nc(-c2ccncc2)cs1 604005421 GUIDBYAWPWXPBC-LLVKDONJSA-N 430.341 6.217 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)NCc3csc(-c4ccccc4)n3)s2)cc1 604454957 VPLAVEBTCZTHFL-UHFFFAOYSA-N 431.546 5.051 30 20 IKED Cc1ccc(Nc2cccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2)nn1 606146184 LMXQKVLEZHZLHX-IBGZPJMESA-N 445.935 5.796 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](C(=O)c4ccc(F)cc4)C3)cn2)cc1 606553000 QFLDNLSEYOKLAU-IBGZPJMESA-N 444.466 5.011 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3nccn3CC(F)(F)F)cc2Cl)cc1 609047083 SFHAPLXOWOVCTQ-UHFFFAOYSA-N 449.820 5.084 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1 609306796 BYTVSSUCAMPJRS-UHFFFAOYSA-N 445.425 5.256 30 20 IKED Cc1ccccc1-c1noc(CSCC(=O)Nc2ccccc2SC[C@H](C)C#N)n1 609389038 VVFXSDMNQAGTMF-OAHLLOKOSA-N 438.578 5.169 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)c1 609501315 FTELMDIBBZHZFG-UHFFFAOYSA-N 427.476 5.072 30 20 IKED CN1CCC(N(Cc2ccco2)C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 609722802 IQSDJALAZCETTM-UHFFFAOYSA-N 449.938 5.334 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCN(Cc3cccs3)CC2)c1 609729868 YIKBEZIGZMQTAL-UHFFFAOYSA-N 437.952 5.023 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)c2cc3ccccc3n2CC#N)nc1-c1ccccc1 610294530 VPQIGIRMWLQCOL-QFIPXVFZSA-N 438.531 5.921 30 20 IKED CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 610296787 ISBGNIGUOPGPOK-XMMPIXPASA-N 441.600 5.197 30 20 IKED COc1ccc(-c2nc3c(s2)[C@H](NC(=O)N[C@@H](C)c2cccc(C#N)c2)CCC3)cc1 610403127 YAHLHIWTZYUELK-YCRPNKLZSA-N 432.549 5.128 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)c2)cc1 610632421 UCBVWDJRQXMBOH-IRXDYDNUSA-N 443.347 5.555 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)NCc3ccc(C#N)c(Cl)c3)s2)cc1 619757398 ANDFVEIZYIYBCS-CQSZACIVSA-N 440.956 5.213 30 20 IKED C=CCn1c(SCc2nc(C(C)(C)C)no2)nc2scc(-c3cccs3)c2c1=O 641846465 MRGYWZHDQHAVKD-UHFFFAOYSA-N 444.607 5.345 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC2(CCOCC2)CC1 685551723 GWVMKSJWGVPEMR-FQEVSTJZSA-N 432.568 5.154 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCC(NC(=O)C4CCCC4)CC3)n2)cc1 726322221 RKNRBQYUWFQOLF-MNLRITNHSA-N 435.593 5.160 30 20 IKED COc1ccccc1CC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 726696864 XMHBDUKNAXPTHV-AREMUKBSSA-N 439.559 5.837 30 20 IKED N#C[C@H](C(=O)CSC[C@H]1CCCCO1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 727627313 DZMOJKODBMUHQA-HXNATXLZSA-N 430.639 5.089 30 20 IKED C[C@H](NC(=O)CNc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc(F)cc1 728051963 VIGSYHSMCSYPCM-INIZCTEOSA-N 437.902 5.219 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H](C)Oc1ccccc1Cc1ccccc1 728177732 IJMHJJIGLAADSA-OAQYLSRUSA-N 435.527 5.180 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)C[C@@H](c3ccccc3)C(F)(F)F)n2)cc1 728770933 ZPDHTHXLBZFARR-MSOLQXFVSA-N 425.435 5.594 30 20 IKED CN(C(=O)OC(C)(C)C)C1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 730664434 IXFKGONLTSEJMD-QHCPKHFHSA-N 448.567 5.205 30 20 IKED COc1ccc(-c2csc3ncnc(NN=C(C)c4cc(OC)c(OC)cc4C)c23)cc1 731314143 BUVJOYVVZODGJN-UHFFFAOYSA-N 448.548 5.529 30 20 IKED N#Cc1c(Cl)nsc1N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 732045397 JPARLLRLSXZWDV-IBGZPJMESA-N 444.004 5.361 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)[C@@H]1C[C@@H]1c1ccccc1Cl 733080123 FOVLEAXLZPHQPZ-JKSUJKDBSA-N 431.849 5.802 30 20 IKED CC[C@H](C#N)Oc1cc(CNCc2ccc3c(c2)c2ccccc2n3CC)ccc1OC 733330424 YXBJFUFNYZIOAA-OAQYLSRUSA-N 427.548 5.794 30 20 IKED N#Cc1ccc(CN[C@H](Cc2c(F)cccc2Cl)c2ccccc2Br)o1 742373324 KDZOVSZDBTWKAG-HXUWFJFHSA-N 433.708 5.780 30 20 IKED CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 745055091 VHGGHWXJUQDFEO-IBVKSMDESA-N 426.516 5.270 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3ccc(-c4cc(F)c(F)c(F)c4)cc3)o2)cc1 745430204 UOESJCUNTPMQQA-UHFFFAOYSA-N 435.361 5.050 30 20 IKED Cc1ccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1N1CCOC1=O 746719769 XQWHFJHANAYMFR-JOCHJYFZSA-N 426.476 5.251 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)OC[C@H](C#N)Cc1ccccc1 750782472 IXDPYYDGUKESHX-KRWDZBQOSA-N 438.936 5.502 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)C[C@H](O)c1ccccc1 758600642 BUTLJZRHUGYTIK-CLOONOSVSA-N 429.520 5.079 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(NC(C)=O)cc(C(F)(F)F)c2)cc1 761039152 SBJLYBQBLBAFMB-ZUOKHONESA-N 445.441 5.138 30 20 IKED Cc1nc2scc(C3CC3)n2c1C=Nn1cnc2sc(C)c(-c3ccccc3)c2c1=O 764665418 CLYMZTRYNMWPEB-UHFFFAOYSA-N 445.573 5.211 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccc(Br)cc1 766625435 MWHQBSLZNLZOFN-UGSOOPFHSA-N 436.334 5.424 30 20 IKED C#CCOc1ccc(Br)cc1CNc1cccc(C[S@](=O)C(C)(C)C)c1 770578277 BJVKJWFKHWGRQD-SANMLTNESA-N 434.399 5.120 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)C1CCC(C(F)(F)F)CC1 774043032 LZKVKENBBMDLDA-LEOMRAHMSA-N 430.426 5.495 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN(CC(C)C)[C@H]2CCCc3cccnc32)c1=S 774611485 JHCFGHFETIATHX-QFIPXVFZSA-N 448.640 5.440 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cc(OC(F)F)cc(OC(F)F)c1 776076957 LRZWMFLWORXVIF-KRWDZBQOSA-N 446.356 5.004 30 20 IKED Cc1cc(/C=C\C(=O)c2cc3c(s2)SCC(=O)N3)cc(C)c1OCc1ccccn1 779462440 MMQFASULHHVORC-SREVYHEPSA-N 436.558 5.279 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1cc(Oc2cccc(Br)c2)ccn1 780159726 OMJCQBFFKUZLNG-CQSZACIVSA-N 438.281 5.180 30 20 IKED C#CCN(C(=O)Nc1cc2[nH]ccc2cc1C)[C@H]1CCOc2ccc(Br)cc21 782088634 SZIBXBJCOFOZAL-FQEVSTJZSA-N 438.325 5.230 30 20 IKED CCCc1c(NC(=S)Nc2c(C(C)C)cccc2C(C)C)cnn1-c1cccc(C#N)c1 783952089 FTBAXTIOMLSHLM-UHFFFAOYSA-N 445.636 6.752 30 20 IKED Cc1ccnc2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c(C)c12 786304939 XLKOJLVUIKEYIF-CQSZACIVSA-N 431.489 5.189 30 20 IKED O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)OCC#Cc1ccc(F)cc1 787834947 QUJYJRAXLFYDAK-UHFFFAOYSA-N 433.266 5.100 30 20 IKED CCOc1cc(NC(=O)c2ccc(C)c(C#N)c2)c(OCC)cc1NC(=O)c1ccccc1 799297048 QFXITYPSIQMAIP-UHFFFAOYSA-N 443.503 5.169 30 20 IKED N#CC1(CCCOC(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)CCOCC1 800142372 URRQJCXBSHUWCZ-UHFFFAOYSA-N 441.959 5.052 30 20 IKED CC[C@H](C#N)Oc1cc(CNc2c(Br)cc(Cl)cc2C#N)ccc1OC 804455396 HMTRCZQOQWCXSM-OAHLLOKOSA-N 434.721 5.276 30 20 IKED O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1ccnc(C(F)(F)F)c1 808393206 PXNWDYJQPBGYNB-UHFFFAOYSA-N 445.294 5.698 30 20 IKED Cc1ccc(C(=O)OCCOC2(C#N)CCOCC2)c(Sc2ccc(Cl)cc2)c1 809081792 LKCTZCCZTXCECI-UHFFFAOYSA-N 431.941 5.046 30 20 IKED C=CCNC(=S)/C(=C(/O)c1ccc(OC(C)C)cc1)[n+]1cc(O)cc(-c2ccccc2)c1 811722678 NKNUNQGNFJTSTB-UHFFFAOYSA-O 447.580 5.121 30 20 IKED N#C[C@@H](C(=O)[C@@H](c1c(F)cccc1Cl)N1CCCCC1)c1cc(C(F)(F)F)ccn1 813215250 VEECXECQIBRSPR-AUUYWEPGSA-N 439.840 5.296 30 20 IKED N#C[C@@H](C(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1)c1nc2ccccc2s1 815899263 KRKQPHDDOMVCSZ-INIZCTEOSA-N 436.924 5.184 30 20 IKED COc1ccc(N[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)cc1Cc1ccccc1 857763710 OVXRBJKWYRKGMM-HXUWFJFHSA-N 443.547 5.042 30 20 IKED C#Cc1cccc(NC(=O)NC[C@@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)c1 915339727 GELHPSTZZHUFEL-QHCPKHFHSA-N 439.515 5.120 30 20 IKED CCc1ccc([C@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)N(C)C)cc1 915352353 KEHSJDVZMKNNCJ-UIOOFZCWSA-N 426.564 5.329 30 20 IKED Cc1occc1-c1nnc(SCCCOc2ccc(C#N)cc2)n1Cc1ccccc1 915791258 ALQXBRSALZKAGB-UHFFFAOYSA-N 430.533 5.328 30 20 IKED COc1cc([C@@H](C)/N=C/c2cc(Br)ccc2O)ccc1OCc1ccncc1 915981696 VWZSODDKZOIMAG-VSRRSJTHSA-N 441.325 5.317 30 20 IKED Cc1ccc(-c2cc(C(=O)Nc3nc(C)c(SCC#N)s3)c3ccccc3n2)cc1 916089578 HMGPITVCGZMHCX-UHFFFAOYSA-N 430.558 5.843 30 20 IKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C(C)C)cc3)N(C3CC3)C2=O)cc1 916207149 VSJVDHYLWQPEEN-QFIPXVFZSA-N 449.576 5.135 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cc(Cl)cc(Cl)c1O 916309895 NZJRXGCADBJUSF-UHFFFAOYSA-N 430.316 5.328 30 20 IKED COc1ccc(C(=O)CCCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917044278 QKIAVCMOLWQBNR-MRXNPFEDSA-N 446.450 5.553 30 20 IKED N#Cc1cccnc1Oc1ccccc1NC(=S)Nc1ccccc1Oc1ccccc1 917574366 GWINDKPITIOQKT-UHFFFAOYSA-N 438.512 6.347 30 20 IKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc2ccccc2c1 917702145 ZNCFYIPGYSASBC-JOCHJYFZSA-N 447.560 5.219 30 20 IKED Cc1nc(CSc2ccccc2C(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)cs1 920876230 GOKZTNHQUZPMDV-QGZVFWFLSA-N 426.538 5.422 30 20 IKED COc1cc2c(cc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)oc1ccccc12 920937360 GYVXROGARBDRAR-UHFFFAOYSA-N 442.519 5.062 30 20 IKED Cc1ncccc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1787322552 GSUIOOJHQHLNFL-SFHVURJKSA-N 438.531 5.079 30 20 IKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCC[C@H]5CCCC[C@H]54)CCC3)cc2)c1 1790146106 DVZCFPVADCRQMP-UEVCKROQSA-N 444.579 5.241 30 20 IKED CC1(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)CC1 1790785165 QUMARQKZMFBSNQ-UHFFFAOYSA-N 441.453 5.125 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnccc3C(F)(F)F)CCC2)cc1 1791243155 AZSOQEQMEZFTHI-HNNXBMFYSA-N 431.458 5.060 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)C34CC(c5ccccc5)(C3)C4)cc2)CCC1 1792380252 GSARDMCXPRAHGK-UHFFFAOYSA-N 426.560 5.046 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(F)ccc2s1 1798085614 DRMHKAVVZWBYPF-REPLKXPHSA-N 428.573 5.285 30 20 IKED CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@@H](C)C#N)c1)c1ccccc1 1803676993 WACXYCBZZUSEPY-WBZPMCRCSA-N 443.591 5.005 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCC2CCCC2)[C@H]1c1cccnc1 1810496068 ZXYONDDBEMUBSE-UPVQGACJSA-N 425.617 5.050 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCC(F)(F)F)n[nH]1 1815567911 QVWLDDQKSFQIHI-INIZCTEOSA-N 428.499 5.127 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)c2cccs2)[nH]n1 1819557049 UVJJRXNLILNQFU-SJLPKXTDSA-N 428.602 5.259 30 20 IKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C(C)(C)C)oc2C)[nH]n1 1822575955 GQQZCLAFDPEIBA-HXUWFJFHSA-N 438.572 5.108 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccccc2)CC1 1831370761 OXBFXJNKZLLOBV-PXDATVDWSA-N 445.607 5.194 30 20 IKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1831858076 DOEGSMBRQGLRBX-VWLOTQADSA-N 434.555 5.302 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc(F)c2F)CC1 1832639059 HHJXYAMUZHRWGQ-KNQAVFIVSA-N 448.529 5.106 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2cc(C)[nH]c2C)[n+]2ccc(C(CC)CC)cc2)cc1 23604194 YUFQGDBDLGSZKW-UHFFFAOYSA-O 448.656 6.436 30 20 IKED C=CCn1c(SCc2nccn2C(F)F)nc2scc(-c3ccccc3)c2c1=O 24718471 WMOWQOKPDJRPDN-UHFFFAOYSA-N 430.505 5.195 30 20 IKED Cc1noc(CSc2ccccc2C(=O)Nc2cccc(C#Cc3cccs3)c2)n1 25754588 VDHMEUMKUXVANO-UHFFFAOYSA-N 431.542 5.384 30 20 IKED C=CCn1c(SCc2nnsc2Cl)nc2cc(-c3ccccc3)sc2c1=O 27921994 WPGHVCLKEAUSJT-UHFFFAOYSA-N 432.983 5.108 30 20 IKED CN(CC(=O)Nc1ccccc1Br)Cc1ccc(-c2ccccc2C#N)cc1 31209094 KQEXGNZEITZBCT-UHFFFAOYSA-N 434.337 5.058 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1ccc(C)cc1Cl 32785814 MQYCICXKUGEVMO-INIZCTEOSA-N 426.973 5.136 30 20 IKED C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)N3CCCN(c4ccccc4C#N)CC3)c2)C1 63398697 XTOFNKJLVNLWQH-BWKNWUBXSA-N 446.595 5.398 30 20 IKED COc1cc(C(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)ccc1S(C)(=O)=O 208126195 XCZFQWZKRJYUOL-NTMALXAHSA-N 432.950 5.377 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1)C(C)C 303706947 YGLNXHGOQXKYSC-UHFFFAOYSA-N 441.531 5.146 30 20 IKED COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)Nc1ccc(C#N)cc1Cl 426135192 CFMCFKJUDIYPLQ-KRWDZBQOSA-N 434.721 5.352 30 20 IKED Cn1c(-c2ccc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)cc2)nc2ccccc21 428743310 JTIXEWCCGVPKQO-UHFFFAOYSA-N 446.514 5.270 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1)c1ccccc1 432758703 RJQIPPRDGDOQPZ-DEOSSOPVSA-N 426.520 5.173 30 20 IKED Cc1c(C#N)cccc1NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 432838409 AESWPOGXNMROQL-UHFFFAOYSA-N 434.293 5.134 30 20 IKED N#CCCC[C@H](NCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)c1ccccc1 433018127 CSGPVFPPRILOES-FPOVZHCZSA-N 432.549 5.044 30 20 IKED N#CC(CCSc1nnc(CCc2ccccc2)o1)(c1ccccc1)c1ccccc1 434648880 PTWHIQDPSNLAMN-UHFFFAOYSA-N 425.557 5.847 30 20 IKED CCN(CC)C(=O)c1ccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1Cl 437930655 WZYHRXXYRMQIPW-IRLDBZIGSA-N 438.959 5.126 30 20 IKED CCN(CC1CCN(c2ccccn2)CC1)C(=O)Nc1ccccc1SC[C@@H](C)C#N 438065665 JEMNHXCJRLQCEV-IBGZPJMESA-N 437.613 5.104 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(COCc3ccccc3)cc2)cc1 438363052 JTADYEQTWRZRCC-UHFFFAOYSA-N 430.508 5.355 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2ccco2)Cc2cccs2)cc1F 438667691 CPAPNIBGEUIXEU-UHFFFAOYSA-N 447.491 6.378 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCCc2c([nH]c3c(F)cccc23)C1 439470456 OSWOFIMJBUUBGA-INIZCTEOSA-N 436.556 5.088 30 20 IKED CCCc1c(NC(=O)Nc2cc(-c3ncco3)ccc2C)cnn1-c1cccc(C#N)c1 439670053 DUFOQQJINKPLBY-UHFFFAOYSA-N 426.480 5.304 30 20 IKED C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 441867892 HQQUEPQBGPVEKM-UHFFFAOYSA-N 435.499 5.023 30 20 IKED Cc1cc([C@H](C#N)C(=O)c2cccc(CSc3cc(Cl)cc(Cl)c3)c2)nc(C)n1 442640536 BAIIPBFTMLASAB-FQEVSTJZSA-N 442.371 6.183 30 20 IKED CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1ccc(Cl)cc1 460691321 FECPMFROJGUXIA-QFIPXVFZSA-N 435.959 5.238 30 20 IKED C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 460957730 GFOLCBGVWMEECA-HXUWFJFHSA-N 442.947 5.168 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccn(-c3ccc(F)cc3F)n2)cc1 463577465 LJZDELQLJKVMLK-UHFFFAOYSA-N 444.441 5.048 30 20 IKED N#Cc1ccc(F)c(CNC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)c1 464041981 ADIPFDXVXIEDCT-UHFFFAOYSA-N 434.467 5.805 30 20 IKED CC[C@@H](NC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F)c1nc(C(F)(F)F)cs1 465987859 VNVFGUINVRGJAI-PWSUYJOCSA-N 429.361 5.355 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)CCc3ccc(Cl)c(Cl)c3)ccc21 469971267 DIGNWEJQDCFLAE-UHFFFAOYSA-N 430.335 5.148 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@@H](CC3CCCC3)c3ccccc3)ccc21 470532161 NNFYIEZPYWIGMP-DEOSSOPVSA-N 444.579 5.713 30 20 IKED COc1c(F)cc(F)cc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 473846609 ZRVLLWYPGZEPGR-UHFFFAOYSA-N 425.410 5.218 30 20 IKED Cc1ccc(C#N)cc1NC(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 474482367 KVDNYDJXEGNLFT-NRFANRHFSA-N 435.325 5.130 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 476797442 TULNTNUQWJXFOT-NRFANRHFSA-N 443.385 5.507 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 477584096 ARVREJUNVHIETH-HUUCEWRRSA-N 432.952 5.131 30 20 IKED Cc1cccc(CC2(O)CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)CC2)c1 477681998 XAPRQLNMGFDSEO-UHFFFAOYSA-N 440.543 5.063 30 20 IKED Cn1nc2ccccc2c1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 478075127 AZESMRWTKXQGPN-AWEZNQCLSA-N 427.316 5.494 30 20 IKED N#CC[C@@H](CC(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1)c1ccccc1 479567811 RIVKNEWKCCNVEC-INIZCTEOSA-N 428.970 5.510 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 484589316 HRAQUQWTZXWLHZ-SFHVURJKSA-N 437.565 5.111 30 20 IKED CCn1nc(C)c(NC(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)c1C 486328283 QQAHAWWDUWHEDK-UHFFFAOYSA-N 437.569 5.111 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3OC(F)F)o2)cc1 489795613 XQNZVAHJKVOYEM-ZDUSSCGKSA-N 447.463 5.022 30 20 IKED FC(F)Oc1ccccc1[C@H](NCc1ccc(OCC(F)(F)F)nc1)C(F)(F)F 492599814 DYACKGOGRZCDCI-AWEZNQCLSA-N 430.295 5.017 30 20 IKED COc1ccc([C@@H](NC(=O)c2c(F)cc(C#N)cc2F)c2ccc(C(F)(F)F)cc2)cc1 499344273 CCLSLOMRSGKPKE-NRFANRHFSA-N 446.375 5.383 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(COc2cc(C)ccc2C)o1 499379951 VCYZPLHXSMVXLJ-UHFFFAOYSA-N 441.578 5.274 30 20 IKED C[C@H](Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)C(=O)Nc1cccc(C#N)c1 500276617 FHRGVEBJRNLMAL-ZDUSSCGKSA-N 444.388 5.343 30 20 IKED Cc1nc([C@H]2CCCCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)no1 500974233 TUVXCHKIKUFGQQ-HSZRJFAPSA-N 445.523 5.172 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N3CCC[C@H](c4nc5ccc(F)cc5o4)C3)c2)cc1 502145078 XWTRGZXIMZRYRW-IBGZPJMESA-N 440.478 5.602 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)c1 502385161 FMOWXMIAGGSITC-UHFFFAOYSA-N 429.402 5.218 30 20 IKED COc1cc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)ccc1NC(C)=O 502619831 OCICSGBYJYVNBT-UHFFFAOYSA-N 430.464 5.270 30 20 IKED CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(Oc2ccnc3ccccc23)cc1 503105879 JCMQUKGBCNXUEV-VWLOTQADSA-N 431.492 5.227 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccc(F)cc1F)C1CC1 503369599 UIDAABBMHOVYQG-UHFFFAOYSA-N 447.485 5.920 30 20 IKED Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 503603536 UOPCLHKDJNCUGD-UHFFFAOYSA-N 448.479 5.006 30 20 IKED CCCCCN(Cc1ccc(Cl)cc1)C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 505879940 OIMFJNHQRXJTPQ-UHFFFAOYSA-N 437.975 5.023 30 20 IKED N#Cc1ccc(-c2nnc(CNc3cccc(-c4ccc(Br)cc4)c3)o2)cc1 506280119 MGYLNBFKUOGCDP-UHFFFAOYSA-N 431.293 5.650 30 20 IKED CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1 506635641 LJZPFQWBBFRZKP-OAQYLSRUSA-N 448.445 5.044 30 20 IKED CCN(C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C)[C@@H](C)c1ccc(C#N)cc1 509574059 HYRZRHDHGCQSQU-INIZCTEOSA-N 429.549 5.100 30 20 IKED FC(F)Oc1ccc([C@H](NCc2ccc(OCC(F)(F)F)nc2)C(F)(F)F)cc1 510414049 JQBDJSRJNDTUTJ-AWEZNQCLSA-N 430.295 5.017 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(CSc2nc3c(cc2C#N)CCCC3)cs1 510691948 XIULQGPAWRPRRP-UHFFFAOYSA-N 438.553 5.405 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1ccc(Br)o1 510903771 UEBYRIQHVDLTBG-UHFFFAOYSA-N 440.297 5.678 30 20 IKED Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2cccc(OCc3ccccc3C#N)c2)o1 511119817 AWFKUUVISPMCJT-SANMLTNESA-N 436.515 5.128 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(CSc2nnc(C)c(C)c2C#N)cs1 511873416 FCMUCQOPWSWNKX-UHFFFAOYSA-N 429.958 5.052 30 20 IKED Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 513191656 SFNVKDLPIFGZNV-HXUWFJFHSA-N 446.432 5.752 30 20 IKED C[C@@H]1CCN(C(=O)CNc2ccccc2Oc2ncccc2C#N)c2ccccc2S1 515446474 QBTMFZHFIVVDGX-QGZVFWFLSA-N 430.533 5.075 30 20 IKED CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 515902805 GZACOOPFTCUUDS-UWJYYQICSA-N 425.960 5.267 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4o3)cc12 517793441 PDMRLJQZUSFJIH-KRWDZBQOSA-N 446.919 5.739 30 20 IKED COc1ccc(OC)c(CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C2CC2)c1 518755373 GXJYJLWJFZDYMN-UHFFFAOYSA-N 443.503 5.564 30 20 IKED C[C@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)CSCc1ccc(C#N)cc1 519118171 IFBOBSCSDYLBJO-RNODOKPDSA-N 447.423 5.153 30 20 IKED C=CCC[C@@H](NC(=O)N1CC[C@@H](n2cc(Cl)cn2)C1)c1ccc(C(F)(F)F)cc1 520298933 BEYWZILJHBHMAF-QZTJIDSGSA-N 426.870 5.219 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1OC 521251716 JYCQTLBOPZHCJP-MRXNPFEDSA-N 434.467 5.388 30 20 IKED COc1cc(-c2noc(CNc3ccccc3S[C@@H](C)CC#N)n2)ccc1OC(F)F 521813466 ROYXTTIFXCWSTG-ZDUSSCGKSA-N 446.479 5.353 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NCc3ccc(N4CCCCCC4)nc3)cc2)cc1 522068033 ZHEUUEPKSAQRKW-UHFFFAOYSA-N 440.547 5.250 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C 522465707 GVXAJDGSVOYEQG-VWLOTQADSA-N 437.547 5.156 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 523445064 ZAZAWVAPGKGKDX-UHFFFAOYSA-N 437.540 5.380 30 20 IKED CCN(CC)Cc1cccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 524647958 JKKKVKMVUSWLAU-UHFFFAOYSA-N 443.616 5.622 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 525001913 RMZMZGZYPWDBMC-UHFFFAOYSA-N 430.430 5.120 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 532064997 YTHHACCLZWEKBB-ZIAGYGMSSA-N 426.383 6.165 30 20 IKED N#Cc1ccccc1-c1ccc(CNCc2csc(-c3ccc4c(c3)OCO4)n2)cc1 538002736 PZNFHKPMXURHQU-UHFFFAOYSA-N 425.513 5.367 30 20 IKED Cc1nn(C)c2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c12 539681705 RMBICMIBGXLGDG-CQSZACIVSA-N 449.486 5.046 30 20 IKED N#Cc1c(Cl)cccc1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 540046587 GRSHQYNMNZJSOX-MRXNPFEDSA-N 427.938 5.336 30 20 IKED Cc1c(NC(=O)c2ccccc2Oc2ccccc2C#N)cccc1C(=O)N1CCCC1 540854581 LJXNWDBTVNSXBF-UHFFFAOYSA-N 425.488 5.147 30 20 IKED N#Cc1ccc(SCc2nc(-c3ccc(Br)cc3OC(F)F)no2)cc1 547267246 KFJWBMYMJYBJQY-UHFFFAOYSA-N 438.253 5.264 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)c1nnc(-c2ccccc2F)s1 551424021 VCOZLOASERSCOS-HNNXBMFYSA-N 437.569 5.566 30 20 IKED N#C[C@@H](NC(=O)c1cc(Cl)cc(F)c1Br)c1cccc(C(F)(F)F)c1 559575017 XHMOBRDMOCNWJA-CYBMUJFWSA-N 435.602 5.255 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cc(F)c(C(F)(F)F)cc1F 562168741 RMTOICIIAZHDFM-NSHDSACASA-N 429.414 5.557 30 20 IKED N#C[C@H](C(=O)c1ccc2oc(O)nc2c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 565141626 JYHHKKODLRPZFK-GFCCVEGCSA-N 430.272 5.454 30 20 IKED Cc1cc(-c2noc(CCC(=O)N(Cc3ccccc3)c3ccccc3C#N)n2)ccc1F 566987729 AUUBJMONEMHACS-UHFFFAOYSA-N 440.478 5.222 30 20 IKED C[C@H](NCC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 569842653 LDCVACATHYNOLR-KRWDZBQOSA-N 441.453 5.060 30 20 IKED C[C@H](c1ccccc1)N(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C1CC1 572868094 OCRYCOQUVKXMRX-HXUWFJFHSA-N 425.532 6.089 30 20 IKED CC[C@@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)N(C)Cc1ccccc1 576245064 LTERLTKULQBDBQ-SANMLTNESA-N 427.548 5.181 30 20 IKED CC(C)[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc2c(c1)OCCO2 577787341 LLLPWANZUZKATL-DEOSSOPVSA-N 444.491 5.036 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@H]3c4ccccc4CC34CCOCC4)cc2)cc1 581163273 MFUNPBZKQUDAPC-SANMLTNESA-N 438.527 5.369 30 20 IKED N#Cc1ccc(N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)cc1[N+](=O)[O-] 589573826 OUCFSXOEALZZNM-HSZRJFAPSA-N 447.539 5.160 30 20 IKED CC(=O)N(c1nc(CSc2cc(C#N)ccn2)cs1)c1c(C)cc(C)cc1Cl 603727023 ZBLXCBZNYIZJPD-UHFFFAOYSA-N 428.970 5.657 30 20 IKED N#Cc1cccc(COc2cccc(NS(=O)(=O)c3c(Cl)cccc3Cl)c2)c1 603975584 BYGAOQIJRHYPEU-UHFFFAOYSA-N 433.316 5.245 30 20 IKED C[C@@H](NC(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccc(C#N)cc1 604104504 OKKPNKOHKPYNPE-IAGOWNOFSA-N 430.483 5.071 30 20 IKED COc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c(Br)c1 608901410 YLPPDWPAQITVMH-UHFFFAOYSA-N 437.293 5.161 30 20 IKED CCc1c(C)sc(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)c1C#N 609031195 FKGCMAZXYJSYPV-UHFFFAOYSA-N 445.470 5.220 30 20 IKED C=CCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1nc(-c2ccccc2)cs1 609055196 UNGVXOSPYHPFJY-UHFFFAOYSA-N 441.512 5.687 30 20 IKED CC(C)(C)c1noc2ncc(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)cc12 609174689 UQTOWISHWBFVNU-JOCHJYFZSA-N 440.503 5.094 30 20 IKED C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 609387049 HORIIRMTFQAHRG-RTBURBONSA-N 431.561 6.170 30 20 IKED CC(C)[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccccc1 609400571 JPRLZTBLHUGATP-LJQANCHMSA-N 449.498 5.163 30 20 IKED CCOc1c(OC)cc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC 609434511 SMSDJUINSAWNFY-UHFFFAOYSA-N 447.491 5.088 30 20 IKED Cc1cc(N2CCCC2)ccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 609723369 KRYBLQAREKEROX-UHFFFAOYSA-N 431.923 6.165 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(NC(=O)CSc2cccs2)cc1 609754913 OTMMMCIBPKXRKZ-UHFFFAOYSA-N 447.585 5.179 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 611199366 BOOOZQWVKHKECQ-UHFFFAOYSA-N 440.525 5.189 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccc(C)c2)cc1 614999782 ADNXUAAOOKSFJF-UHFFFAOYSA-N 436.515 5.016 30 20 IKED N#C[C@H](C(=O)c1cnc2c(F)ccc(F)c2c1)c1nc2cc(C(F)(F)F)ccc2s1 645955591 SLMCLNUPPRDZFM-GFCCVEGCSA-N 433.361 5.632 30 20 IKED N#C[C@H](C(=O)c1ccn(Cc2ccccc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 681351976 GHPZYWAERAEZQG-OAHLLOKOSA-N 426.423 5.050 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 726275081 VRZLQFYFGMNNDE-HOTGVXAUSA-N 442.025 5.135 30 20 IKED CCOCc1cc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)ccc1OC 726626415 GGFZSWBELQAVLG-DJKKODMXSA-N 444.965 5.163 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1NC(=O)c1ccccc1 726938295 MLMSGUPSLIAKNG-UHFFFAOYSA-N 448.482 5.559 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)O[C@@H](c2cccc(F)c2)c2ccccn2)o1 729195513 KRTOHWFJZDQDCD-DEOSSOPVSA-N 428.419 5.211 30 20 IKED Cn1c(CC(=NOCc2coc(-c3ccc(F)cc3)n2)c2ccccc2)nc2ccccc21 730100220 HLAHKTHGPXXISW-UHFFFAOYSA-N 440.478 5.531 30 20 IKED N#C[C@@H](C(=O)[C@H](Sc1ccc(F)c(Cl)c1)c1ccccc1)c1nc2ccccc2o1 730399104 TZUJWRJRTWLQMZ-KSFYIVLOSA-N 436.895 6.330 30 20 IKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730942485 QIOFCJBKLAXAKG-AVRDEDQJSA-N 444.560 5.112 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)/C=C\c1nc2ccccc2s1 730994692 LTNYKUNKTUAYBH-HJWRWDBZSA-N 433.480 5.973 30 20 IKED N#C[C@H](NC(=O)c1ccccc1COc1cccc(C=O)c1)c1cccc(C(F)(F)F)c1 731644776 BJNKNBRFXAMUIA-QFIPXVFZSA-N 438.405 5.092 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H](C)Oc2ccccc2Br)cc1 732901430 RPFNFMZDVOERFT-MPGHIAIKSA-N 443.341 5.077 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nc(-c3ccccc3)ccc2C#N)cc1 733902189 BHSLGTMYDMFDOV-LJQANCHMSA-N 426.545 5.356 30 20 IKED C=CC[C@@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1)c1ccncc1 734679850 PROMACZIBNEIBL-ZEQKJWHPSA-N 443.547 5.073 30 20 IKED N#CCOc1ccc(Cl)cc1CSCc1nc(O)c2c(-c3ccco3)csc2n1 735317466 AOLBIYHEZGVVQD-UHFFFAOYSA-N 443.937 5.646 30 20 IKED Cc1cc(-c2noc(CCC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)n2)ccc1F 739594272 GHTLWFINUHQZHA-UHFFFAOYSA-N 446.507 5.033 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NC[C@H](O)c2c(Cl)cccc2Cl)cc1 740939822 CEAZDAXUKWPREA-IBGZPJMESA-N 445.277 5.260 30 20 IKED Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1NC(=O)OC(C)(C)C 742657780 XEEAUKOGCYHFQT-SFHVURJKSA-N 434.323 5.644 30 20 IKED CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 743093343 RZLQIPFPCOSZHV-MUUNZHRXSA-N 446.554 6.458 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)NCc2ccc(OCC#N)cc2)cc1 743583459 SYTJJJAFYGQNOD-IBGZPJMESA-N 429.520 5.167 30 20 IKED COc1ccc2sc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c(C)c2c1 744016525 NYSVBPQFQTXUMH-OAHLLOKOSA-N 449.557 5.298 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H](C)c2ccc(Br)s2)cc1 744029046 QALHVTYATXCWFK-BBRMVZONSA-N 433.371 5.304 30 20 IKED COc1ccc(Nc2nn(CN(Cc3ccc(C#N)cc3)C(C)C)c(=S)s2)cc1 746032517 BEFCKYQFFBETRN-UHFFFAOYSA-N 425.583 5.166 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cccc(-c3ccccc3)c2)cs1 746346497 QITHLYKRGYNDIU-QINSGFPZSA-N 442.515 6.530 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1cnc(-c2ccccc2Cl)s1 747951368 AFEPQGFETSCNFF-CQSZACIVSA-N 446.981 5.285 30 20 IKED COc1cc(CCC(=O)[C@@H](C#N)c2nc3ccccc3s2)ccc1OCC(F)(F)F 750390305 MGXZVNIZRSNBMP-CQSZACIVSA-N 434.439 5.055 30 20 IKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(CCC(F)(F)F)cc1 752477216 LUYVQOCITGVNDG-INIZCTEOSA-N 429.225 5.449 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(CCCO)[C@H]2CCCc3ccccc32)cc1 754437405 QXZOPZIQROSGQH-SXOMAYOGSA-N 439.559 5.636 30 20 IKED C/C(=C\c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 758872383 GIEMRNAYLGSYKX-KFXIKWRMSA-N 428.941 5.177 30 20 IKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(F)cc2OCC#N)cc1 760789584 ISBNMTCYUCZSKJ-UHFFFAOYSA-N 449.507 5.020 30 20 IKED COc1ccc(COCCCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 760968623 LEKZDGQXAKAVPY-KRWDZBQOSA-N 448.466 5.497 30 20 IKED C[C@H](C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12)c1cccc(C(=O)c2ccccc2)c1 762024380 JFIHIUPTCCDQQX-DFBJGRDBSA-N 446.506 5.522 30 20 IKED Cc1ccc(F)c(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 762439094 CNSYIZIFCIXGEV-UHFFFAOYSA-O 446.571 5.914 30 20 IKED CC(C)(C#N)CCCCOC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 768371051 BWYCFTNOHYJKDX-UHFFFAOYSA-N 428.872 5.356 30 20 IKED CC(C)(C#N)CCCCOC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 768698638 JBVIVKNWHBRMPC-UHFFFAOYSA-N 431.270 5.086 30 20 IKED Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3cn(CCCC#N)c4ccccc34)o2)cc1C 769544480 QIRCOUOGKKATHN-GOSISDBHSA-N 428.492 5.530 30 20 IKED COc1ccc(CN(C(=O)Nc2ccc(F)cc2OCC#N)C2CCCCC2)cc1OC 770065981 KQNFJXXVYOWZMB-UHFFFAOYSA-N 441.503 5.112 30 20 IKED C[C@H](NCc1ccc(OCC#N)cc1)c1ccc(-c2ccc(Br)cc2)s1 772957869 CEGUWHDIOHUOGI-HNNXBMFYSA-N 427.367 5.931 30 20 IKED C=CCCC(=O)Nc1ccc(COC(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)cc1 774569515 FSHAPBGQIKLSMK-UHFFFAOYSA-N 442.515 5.225 30 20 IKED N#C[C@H](C(=O)c1cccc(C2OCCO2)c1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 775229007 XWTWKMFGVDMLRA-XVPJOVGPSA-N 434.561 5.146 30 20 IKED CCCOc1ccccc1[C@@H](CC(C)C)NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 775544972 LBBUBJXRPWMNDB-JTHBVZDNSA-N 442.563 5.389 30 20 IKED C[C@H](NC(=O)N[C@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21)c1ccc(C#N)cc1 777460104 VHUURBJMLVZJRI-AOMKIAJQSA-N 434.540 5.343 30 20 IKED Cc1nc2c(s1)[C@@H](NC(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)CCC2 780496876 RMSRXWXAHBPGHW-QFIPXVFZSA-N 432.549 5.296 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 780579904 RNYAGCWPHKUHTI-DRKIFQHWSA-N 433.533 5.070 30 20 IKED CC(=O)Nc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1 781550582 CKOQSGWHTUMLQI-XFXZXTDPSA-N 439.924 5.336 30 20 IKED COC(=O)N(C)c1ccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 782564688 SWQXRHHPTUBTQO-QGZVFWFLSA-N 428.492 5.311 30 20 IKED COC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1F 783087083 WGZOXLKKAPOPFK-UHFFFAOYSA-N 439.830 5.574 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)c1cc(Br)cs1)c1ccc(Cl)cc1Cl 787048326 AXZCLGIDKFMLSS-QPUJVOFHSA-N 446.153 5.017 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)c1ccc([C@@H]2CCCOC2)cc1)c1ccc(Cl)cc1Cl 787053012 PHQAHOGMNVBSPE-NQYLQCIDSA-N 445.346 5.087 30 20 IKED Fc1cccc(Nc2nn(CN(CCC(F)(F)F)CC(F)(F)F)c(=S)s2)c1 790406667 CXPBTEMEBYJMAJ-UHFFFAOYSA-N 434.406 5.331 30 20 IKED C[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)NC(=O)OC(C)(C)C 791769672 UVKIUKLSKIJVPY-HNAYVOBHSA-N 442.947 5.030 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@H](C#N)c1nccc2ccccc12 792102909 IQABYVNCPQTCKG-MGPUTAFESA-N 447.947 6.041 30 20 IKED N#C[C@@H](C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cnc2ccccc2n1 792110068 XHNARMHMEVXMOH-JOCHJYFZSA-N 447.473 5.041 30 20 IKED N#C[C@H](C(=O)CN(Cc1cccs1)C1Cc2ccccc2C1)c1nc2ccccc2s1 792928684 UTPUPSULBXQICN-OAQYLSRUSA-N 443.597 5.204 30 20 IKED COc1ccccc1O[C@@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 806200524 GGLAXZOZZWYPGB-DNQXCXABSA-N 441.531 5.426 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccccc2)[n+]2cc(O)cc(-c3ccccc3)c2)c1 811725146 XHUXQLNGBZRPAE-UHFFFAOYSA-O 449.555 5.651 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C/c2cnn(CC(F)F)c2)C(=O)c2ccccc2)c(Cl)c1 814187989 UKKFWUWFOSRUJZ-VCHYOVAHSA-N 443.881 5.323 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ccc(N2CCSCC2)c(Cl)c1)c1ccccc1 814627233 XDGPGWCJYXTMFG-HXUWFJFHSA-N 428.989 5.450 30 20 IKED COc1ccc(-c2cc(C(=O)Nc3nc(C)c(SCC#N)s3)c3ccccc3n2)cc1 916089624 LCIXYCPCAQDPOV-UHFFFAOYSA-N 446.557 5.543 30 20 IKED COc1ccccc1NC(=O)c1cc2ccccc2cc1OC(=O)c1cccc(CC#N)c1 916879012 GGQVGBJFLZGOCD-UHFFFAOYSA-N 436.467 5.386 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3cccc(C)c3)n2)cc1 916916258 WHNVGCILZDTVNM-JOCHJYFZSA-N 431.561 5.351 30 20 IKED N#C[C@@H](C(=O)CCCCc1nc2ccccc2s1)C(=O)Nc1ccc(F)c(Cl)c1 916936745 UVBONGNWVWNRNX-AWEZNQCLSA-N 429.904 5.149 30 20 IKED N#C[C@@H](C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1nc2cc(Cl)ccc2s1 917043466 IUTDYKLQYIVIQH-APPDUMDISA-N 448.356 5.282 30 20 IKED COc1ccc2cc(C(=O)/C=C/c3csc(N(C(C)=O)c4ccc(C)cc4)n3)ccc2c1 917561762 MXHTVKCTHAXAFY-UKTHLTGXSA-N 442.540 6.194 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4ccc(C)o4)n3)n2)cc1 920138318 DPKXTTZNEKGJHR-KRWDZBQOSA-N 435.530 5.263 30 20 IKED Cc1sc2ncn(N=Cc3ccccc3OC3CCCC3)c(=O)c2c1-c1ccccc1 920364648 YIHVKOXCVQTGSQ-UHFFFAOYSA-N 429.545 5.637 30 20 IKED Cc1ccccc1-n1nc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2c1CCC2 920878357 JUVSMIZFBDQBTJ-XMMPIXPASA-N 432.527 5.577 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3c3ccc(OC)cc3)CCC2)cc1 1791726270 LNNPKGLRDHHLMX-RPBOFIJWSA-N 444.575 5.126 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc[nH]c3cc1Cl)C2 1798592797 GUVYIRXXCPWUQW-BCDXTJNWSA-N 427.976 5.066 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3occc3c2)n[nH]1 1818706236 KVHVZUXUIOBWNK-HXUWFJFHSA-N 434.540 5.454 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(F)c2)CC1 1826545233 KDERAEHENHNMLP-QHCPKHFHSA-N 446.582 5.119 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccs2)CC1 1828821900 UKOMNHOJYZXNNO-PKTZIBPZSA-N 428.642 5.069 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccncc23)CC1 1830859441 YUQVABXZJKGNFZ-AREMUKBSSA-N 445.607 5.237 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2ccccc2)cc1F 14872299 QQCBJMPMTBSAOU-UHFFFAOYSA-O 434.343 5.779 30 20 IKED Cc1ccc(C(=O)/C(=C(\S)Nc2ccc(C)c(F)c2)[n+]2ccc(N(C)C)cc2)cc1C 14872447 PFZRJXFYJWPYSD-UHFFFAOYSA-O 436.576 5.155 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2cccc(C)c2)cc1 22728235 OSKMFXRVPGOFFP-UHFFFAOYSA-O 439.988 5.694 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(CC)c2)[n+]2ccc(CC)cc2)cc1 22732360 YXHGUNMIQWLTEE-UHFFFAOYSA-O 433.597 5.549 30 20 IKED N#CCc1ccc(OC[C@H](O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1 24095930 RNTVXPQJSOKHKV-FQEVSTJZSA-N 445.519 5.034 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 27861148 KFFYZWPIIVUTSZ-HXUWFJFHSA-N 429.545 5.031 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3C[C@@H]3c3cccc(Br)c3)s2)cc1 195747706 ZNXQTUIEMVDGQT-MOPGFXCFSA-N 438.350 5.110 30 20 IKED N#Cc1ccc(-c2nnc(CSc3nc4ccccc4c(=O)n3C3CCCCC3)o2)cc1 303937906 RZLBGFJROUQAGS-UHFFFAOYSA-N 443.532 5.116 30 20 IKED Fc1ccc(NCc2nc(-c3cc(F)c(F)c(F)c3)no2)c(OCCC(F)(F)F)c1 409853095 CARZKDSWHIDADI-UHFFFAOYSA-N 435.299 5.236 30 20 IKED N#Cc1ccc(NC(=O)N(CCCn2ccnc2)Cc2c(F)cccc2Cl)c(Cl)c1 426126460 HEVWWZSUZPDTEF-UHFFFAOYSA-N 446.313 5.325 30 20 IKED Cc1ccnc(Oc2cc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)ccc2C)c1 428642933 ZMBXSVVDBMDDNW-UHFFFAOYSA-N 437.503 5.520 30 20 IKED Cc1cc(Br)c2c(c1)CN(C(=O)Nc1ccccc1S[C@H](C)CC#N)CC2 429440314 CAKIAERPTDYXGO-OAHLLOKOSA-N 444.398 5.742 30 20 IKED COc1ccc([C@H](CNC(=O)[C@@H](C#N)CCc2ccccc2)c2c[nH]c3ccccc23)cc1 433225205 AIOURKXNBMPPQF-RDGATRHJSA-N 437.543 5.197 30 20 IKED C=CCn1c(SCCC(C#N)(c2ccccc2)c2ccccc2)nnc1-c1cccnc1 434643050 OUVNWAJVRUBOQF-UHFFFAOYSA-N 437.572 5.518 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(Cl)cc1-c1ccccc1Cl 434763083 JFWFPSXMPXARCT-UHFFFAOYSA-N 438.314 5.129 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ncccc1OCC(F)(F)F 437551064 ZZKOJGBFSUTHES-UHFFFAOYSA-N 441.409 5.034 30 20 IKED Cc1ccc([C@@H]2CCCCN2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 437822436 OIFKAGPNJQFEOK-FQEVSTJZSA-N 449.605 5.770 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Nc3cnn(Cc4ccncc4)c3)cc2Cl)cc1 437885841 CRARHLHZJSGASB-UHFFFAOYSA-N 444.882 5.288 30 20 IKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 438651810 NPRYDBVPCWQLNB-UHFFFAOYSA-N 428.414 5.329 30 20 IKED COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)N[C@@H](CCC#N)c1ccccc1 438836058 DYFYPXBFRBNIST-PMACEKPBSA-N 442.357 5.349 30 20 IKED Cc1cc(NC(=O)[C@H](C)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)on1 439641028 CVXZXBQLWUSAOP-ZDUSSCGKSA-N 430.386 5.105 30 20 IKED CCCc1c(NC(=O)c2sc(-c3ccccc3)nc2C)cnn1-c1cccc(C#N)c1 440077374 LTGIFEGTLQVWAY-UHFFFAOYSA-N 427.533 5.381 30 20 IKED C=CCC[C@@H](NC(=O)N[C@@H](c1nc(C2CC2)no1)C(C)C)c1ccc(C(F)(F)F)cc1 441523233 ZBPRYPKWOTZCSI-QZTJIDSGSA-N 436.478 5.670 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1nc2ccccc2s1 442615752 KCEJCWSPTSVHCN-NSHDSACASA-N 441.299 5.675 30 20 IKED CC(C)(C)C(=O)NCc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 442670257 IUGXFFUAGPFNHT-MRXNPFEDSA-N 425.941 5.102 30 20 IKED CC(C)(c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1)C(F)(F)F 447517931 AUDAOZJPUMTIBQ-SFHVURJKSA-N 439.462 6.012 30 20 IKED N#C[C@H](NC(=O)c1ccc(OCc2ccccn2)cc1)c1ccc(OCc2ccccc2)cc1 460864012 MVTXTDISMQRFRN-MHZLTWQESA-N 449.510 5.234 30 20 IKED Cc1ccc([C@@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)s1 461655858 KFLIIRJXCGSRAL-RTWAWAEBSA-N 433.581 5.097 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)[C@H](C)c3cccc(C#N)c3)C2)n1 462331081 IPEZSUHUNPJFAE-YLJYHZDGSA-N 431.561 5.200 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cccc(N3CCCNC3=O)c2)c1 464191752 BOQDHOYKDSYINT-UHFFFAOYSA-N 446.894 5.176 30 20 IKED C[C@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)Oc1cccc(F)c1 466144756 KZARBXCVUNLORH-GOSISDBHSA-N 433.483 5.060 30 20 IKED C[C@H](CCNCc1cn(CCC#N)nc1-c1ccccc1)c1cccc(C(F)(F)F)c1 467777282 PONNYAWSKLJUCA-GOSISDBHSA-N 426.486 5.766 30 20 IKED C[C@@H](O)C[C@@H](CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccccc1 469056429 QZKKRUUEUBLBHI-XLIONFOSSA-N 434.923 5.288 30 20 IKED Cc1csc(Sc2ccc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)cc2Cl)n1 470876951 CBAPEQLCEJBNJC-INIZCTEOSA-N 438.965 5.449 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 473490911 UCEFFRICEKCSKH-GOSISDBHSA-N 445.935 5.616 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 475522527 ALTXCSYMHQJPBT-SFHVURJKSA-N 434.927 5.211 30 20 IKED C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 480306129 JOWIXYQWWZMSSY-OXQOHEQNSA-N 431.458 5.526 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](c1cccc2ccccc12)C(F)(F)F 481286235 OHLJKVJMSWAGFE-NRFANRHFSA-N 432.442 5.316 30 20 IKED CN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481709651 DPHXQTLDQOIAQQ-UHFFFAOYSA-N 429.904 5.655 30 20 IKED CC(C)CCn1ncc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1C(C)C 483490343 PLDMHZYPIYGGLY-UHFFFAOYSA-N 441.551 5.139 30 20 IKED C=CC[C@H](C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC)c1ccccc1 487596468 WJCKEIYQFRHTJA-FQEVSTJZSA-N 430.504 5.255 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)nc2sccc2c1=O 501107774 QUFPKGYRVPOICK-NSHDSACASA-N 430.942 5.201 30 20 IKED N#CCCCCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 505094865 VVQHBVHXADVSAV-MNDPQUGUSA-N 440.503 5.444 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCOc2c(Br)cccc21 505309935 HGYUHIAGFBXEDF-BBRMVZONSA-N 446.370 5.489 30 20 IKED Cc1cc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c(Br)s1 505360862 BPWLBTGEOWQAOG-IBGZPJMESA-N 441.350 5.393 30 20 IKED Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)nc(-c2ccc(Cl)cc2)n1 507542288 BJBPIYNBHYENOV-UHFFFAOYSA-N 444.844 5.182 30 20 IKED Cc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 510516750 WBUIFWQOSPHDQW-UHFFFAOYSA-N 440.478 5.217 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3CCOc4c(Cl)cccc43)c2)cc1 510610090 UWEULPAMJSFUHR-QHCPKHFHSA-N 447.922 5.630 30 20 IKED Cc1ccc(C)c(C(=O)c2ccccc2C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1 515540408 RTAYNAJJKOQMJD-HXUWFJFHSA-N 443.453 5.769 30 20 IKED Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c(Br)c1 517457502 XWESVBBKBYLJLY-LSDHHAIUSA-N 433.371 5.415 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccnn3Cc3cccc4ccccc34)cc2)nc1 520322200 BEMHHPMNHGHLCC-UHFFFAOYSA-N 445.482 5.396 30 20 IKED Cc1ccc(-c2nc(CSCC(=O)Nc3ccccc3S[C@@H](C)CC#N)cs2)o1 520835177 AAHQEDMWAFGXQS-HNNXBMFYSA-N 443.619 5.978 30 20 IKED CCOc1ccc([C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c2ccccc2)cc1 521086971 GRKQWWDXIQKHFU-HHHXNRCGSA-N 449.510 5.664 30 20 IKED Cn1ccnc1Sc1ccccc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 522313116 NGXAQXAIBHSZQK-UHFFFAOYSA-N 440.528 5.274 30 20 IKED Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 524333476 BZQIRXIGEZOQBE-RUZDIDTESA-N 437.499 5.153 30 20 IKED CCN(C(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1)c1nc2ccccc2s1 532312519 FYBJPKWBHNCZOX-UHFFFAOYSA-N 429.549 5.357 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N[C@H](CO)c3ccc(C(F)(F)F)cc3)c2)cc1 534770247 ZISLSONMLTYCJI-OAQYLSRUSA-N 441.409 5.224 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccccc2N2CCC(CO)CC2)cc1 535706031 ZHQJBVNFEBDKIP-UHFFFAOYSA-N 443.572 5.170 30 20 IKED C[C@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 536815765 LUZVRLFXQYQEBZ-NTKDMRAZSA-N 447.966 5.800 30 20 IKED CC(C)[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)c1ccc(C2CCCCC2)cc1 536982069 PENVTZWBCINIPZ-JOCHJYFZSA-N 449.599 5.009 30 20 IKED CCO[C@H](C)c1nc(CN(C)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)cs1 537009588 YYZADDJVFDTANV-QGZVFWFLSA-N 434.565 5.121 30 20 IKED CC[C@H](C)n1nc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1C 537573567 SXAHTXNMFIPRLI-LBPRGKRZSA-N 447.486 5.353 30 20 IKED CC(C)N(Cc1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)cc1)C[C@@H]1CCCCO1 539319304 AKGPLKHXJHLTLG-VWLOTQADSA-N 431.580 5.008 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1ncc(Cl)cc1Cl 539626413 KDWUBEWBGMFPMH-LBPRGKRZSA-N 426.394 5.512 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@@H](CO)c3ccc(C(F)(F)F)cc3)cc2)cc1 540024012 HQHFAEKGTOQQLV-QFIPXVFZSA-N 440.421 5.027 30 20 IKED CCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(C#N)c(Cl)c1 540274705 WQTABRWIMZHBKB-UHFFFAOYSA-N 448.737 6.159 30 20 IKED CO[C@H](c1ccccc1F)[C@H](C)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 540545809 UKWKTKDLPBUVHD-BVZFJXPGSA-N 447.510 5.368 30 20 IKED COc1cc(CNc2ncc(Cc3ccc(C#N)cc3)s2)ccc1OCc1ccncc1 542752307 OPCLXDBTVVLHKO-UHFFFAOYSA-N 442.544 5.200 30 20 IKED C[C@H](NC(=O)Nc1cc2c(cc1F)CCC(=O)N2)c1ccc(-c2cccc(C#N)c2)cc1 542922821 LTPJEANQAPFRHD-HNNXBMFYSA-N 428.467 5.132 30 20 IKED C[C@@H](NC(=O)NCc1cn(C)nc1-c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 542971659 CWKFPLDCUBYTIO-LJQANCHMSA-N 435.531 5.186 30 20 IKED N#Cc1c(F)cccc1-n1ccc(NC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)n1 543767134 MQJPWVKUXVDPAA-UHFFFAOYSA-N 443.404 5.098 30 20 IKED O=C(Nc1ccccc1CC(F)(F)F)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 549212632 FACNNTHOXLBFGN-GOSISDBHSA-N 434.355 5.913 30 20 IKED C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 549249463 CDAYPGFYXYMYMU-IBGZPJMESA-N 444.366 5.109 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C(=O)c2ccccc2)CC1 549599731 GZIJNQZTVWDFSY-LJQANCHMSA-N 448.542 5.233 30 20 IKED Cc1ccc(Oc2ccccc2NC(=O)C(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 551597699 UTFVNTMMEAOOKG-QFIPXVFZSA-N 427.504 5.277 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@H](CCO)c3ccc(Cl)cc3)c2)cc1 554398552 UEVHPVUFCHGMHD-XMMPIXPASA-N 449.938 5.230 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC([C@@H]2CCCO2)CC1 555264601 AFBKZATUGODGKA-UTKZUKDTSA-N 430.980 5.043 30 20 IKED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1 560701962 OMJFOMNWKYSGQB-ACJLOTCBSA-N 439.408 5.492 30 20 IKED C=CCN(Cc1ccccc1)C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 561407728 CXDJVYMZGBHHDK-UHFFFAOYSA-N 432.395 5.356 30 20 IKED N#CCCSc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br 564165588 MHAVVCQWEQISJK-UHFFFAOYSA-N 445.317 5.032 30 20 IKED CC[C@@H](c1cccc(OC)c1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 564734243 OVNYFWXIWSKCPT-SANMLTNESA-N 443.547 5.955 30 20 IKED CCCc1c(NC(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)cnn1-c1cccc(C#N)c1 572849672 AKRSDEUJJBHKLO-FQEVSTJZSA-N 445.489 5.283 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC1(c2cccc(C(F)(F)F)c2)CC1 581029202 SORNNYSUIMMUCW-HNNXBMFYSA-N 433.499 5.317 30 20 IKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)cc(-c3ccccc3)nc21 591862545 VBOKVXXGIYEKDI-NRFANRHFSA-N 431.499 5.717 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)c1C#N 602230832 LBLXTZSKVWOOHF-UHFFFAOYSA-N 442.516 5.130 30 20 IKED Cc1cc(N2CCOCC2)ccc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 603595476 KPTIDHPBLOUZNF-UHFFFAOYSA-N 443.572 5.248 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N(Cc3ccccc3)Cc3ccco3)s2)cc1 603650413 YIXAESCDHJRLTA-UHFFFAOYSA-N 428.517 5.433 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccco3)Cc3cccs3)cn2)cc1 603690485 PXFVDVPWNWCGKP-UHFFFAOYSA-N 430.489 5.634 30 20 IKED CCOC(=O)c1sc(NC(=O)c2csc(-c3ccc(Cl)s3)n2)c(C#N)c1C 604394760 SSCPRYKEVZRMFQ-UHFFFAOYSA-N 437.955 5.196 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCSC[C@H]1c1ccc(Cl)cc1 604803016 LFUIJEHRUQHRJB-QHCPKHFHSA-N 433.964 5.457 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 606784603 AKHCXGLUXCZMDT-WIYYLYMNSA-N 446.513 5.395 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(-c4nc(C)cs4)c3)n2)cc1 607008995 HZDBJWQCOOKSRN-IBGZPJMESA-N 431.542 5.741 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCc4c(ccc(Cl)c4Cl)C3)cn2)c1 608792138 PXAQZEVOGUWMHL-UHFFFAOYSA-N 439.302 5.643 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](COCC(C)C)c1ccco1 609079928 NVIOABRRGMBOKX-XMMPIXPASA-N 447.535 5.574 30 20 IKED N#Cc1ccc(CNC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)c(F)c1 609228423 FDBYJBHYFYUYAZ-UHFFFAOYSA-N 434.467 5.805 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N(CCc3ccccc3)Cc3ccncc3)c2)cc1 609322433 ITGWUVFHTYYKSD-UHFFFAOYSA-N 448.526 6.022 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 609644323 JQPCPHYEHKHFSF-SFHVURJKSA-N 427.529 5.784 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)cc1 609652043 RJIGIXWEGGRSHQ-UHFFFAOYSA-N 434.442 5.312 30 20 IKED C=CCN(C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)c1nc(C(=O)OCC)cs1 609968879 NTWYLDCPCQZUDA-ZDUSSCGKSA-N 426.460 5.051 30 20 IKED C[C@@H](NC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1cccc(C#N)c1 610355317 NUXHZVYDDYDADG-HXUWFJFHSA-N 435.531 5.030 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)s2)o1 613319665 LBABCVDRZKKVHG-OAHLLOKOSA-N 439.949 6.287 30 20 IKED Cc1c(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)sc2ccc(F)cc12 618643238 LPLJJRHFDRRYKW-IAZYJMLFSA-N 427.385 5.988 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc3cc(F)ccc3c2Cl)cc1 619210254 IEHHOEAPGVQTDZ-UHFFFAOYSA-N 428.916 5.760 30 20 IKED C=CCn1c(SCC(=O)NCCC(C)(C)C)nnc1-c1ccc(Cl)cc1Cl 642305040 SSXIHELYUYGUGZ-UHFFFAOYSA-N 427.401 5.082 30 20 IKED O=C(Nc1ccc(Oc2cccc(F)c2)cc1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674558736 BONUMTAGDDRANS-HOTGVXAUSA-N 436.327 5.823 30 20 IKED CC[C@@H](C)n1ncc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1C1CC1 677710567 QIJYZKMNVOREFJ-BXUZGUMPSA-N 432.471 5.850 30 20 IKED COc1cc(C(=O)N(CCC#N)c2ccc(C)cc2)cc(OC)c1OCc1ccccc1 726941660 IAWHLRZDSNYKMA-UHFFFAOYSA-N 430.504 5.152 30 20 IKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N(CCCCC#N)C2=O)cc1 728777749 NTZRQNPCSMEIJF-QFIPXVFZSA-N 448.592 5.266 30 20 IKED CC(C)c1nc(C(=O)OCc2ccc(C#N)cc2F)nn1-c1c(Cl)cccc1Cl 729023950 JPSRPEJHWOFPGT-UHFFFAOYSA-N 433.270 5.065 30 20 IKED CC(C)(C)CN(CCC#N)Cn1nc(-c2cccs2)n(Cc2ccccc2)c1=S 729468697 YDIOLRNJPLBFML-UHFFFAOYSA-N 425.627 5.410 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(c4cc5ccccc5[nH]4)CC3)c2)cc1 729570434 JSTVIAIRWDBPRN-UHFFFAOYSA-N 436.515 6.243 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccccc2)cc1 731063653 RLOWJQWVKQYUSF-SFHVURJKSA-N 430.529 5.401 30 20 IKED Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 731066588 XYWVHCXMWGFCEC-KRWDZBQOSA-N 447.560 5.141 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 732436360 QNGIYPOVNYZYLA-UHFFFAOYSA-N 448.567 5.296 30 20 IKED CC(C)n1cc(/C=C2/CC(C#N)(c3ccccc3)C/C(=C\c3cnn(C(C)C)c3)C2=O)cn1 732714555 VIGRBNQXGWFKLS-AQYLCCQOSA-N 439.563 5.533 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)c1 733797729 FSOJBHHJYYVKSX-RCZVLFRGSA-N 447.966 5.799 30 20 IKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1Cl 734695982 LYJJCILBNFLFJA-LADGPHEKSA-N 445.950 5.447 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2c(Cl)nc3sccn23)cs1 741845418 VSZJBJKZKOUMTE-YVMONPNESA-N 442.953 5.395 30 20 IKED CC(=NNc1oc(CC(C)C)nc1C#N)c1cnn(-c2ccc(Cl)cc2Cl)c1C 743437914 YGLRUQACANJSMD-UHFFFAOYSA-N 431.327 5.382 30 20 IKED C[C@H](OC(=O)c1sccc1-c1ccc(F)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 744608980 YQOIWTPNNPLVPP-HNNXBMFYSA-N 440.471 5.185 30 20 IKED COc1ccc(C(C)=NN=C(C)c2cnccn2)cc1CSc1nc2ccccc2s1 745201324 GWOAISKCBXSFHJ-UHFFFAOYSA-N 447.589 5.620 30 20 IKED N#Cc1cc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)c(Cl)c([N+](=O)[O-])c1 746481711 MKTBEKGFBOUTSZ-UHFFFAOYSA-N 434.864 5.649 30 20 IKED Oc1c(Cl)cc(Cl)cc1/C=N\C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 749749067 VFMLJFUCEJIPPZ-CWUGXJSWSA-N 447.284 5.210 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 752660537 GKSOUNFIRCLBBO-RPWUZVMVSA-N 442.588 5.614 30 20 IKED N#C[C@@H](C(=O)CC(Cc1ccccc1)Cc1ccccc1)C(=O)Nc1ccccc1Cl 753396693 UUZOCVQQSDSBMG-QFIPXVFZSA-N 430.935 5.479 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)cc1 754098732 CBWLGVUCPPBTMI-AYRHNUGRSA-N 437.543 5.123 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1 755757505 WGWDIFBDKGGAHQ-SDHSZQHLSA-N 429.495 5.523 30 20 IKED Cc1sc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1-c1ccc(F)cc1 756232239 AABZUQFJPCXXSQ-NRFANRHFSA-N 428.488 5.977 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)cc1 756911035 PFWQGBNRTOVMPV-AREMUKBSSA-N 426.516 5.245 30 20 IKED CC(=O)N(c1ccccc1)c1nc(COC(=O)c2ccc(C(F)(F)F)cc2C#N)cs1 758121063 RQLIYCXWHSRRSI-UHFFFAOYSA-N 445.422 5.075 30 20 IKED N#C[C@@H](C(=O)CCCc1cccc(Br)c1)c1nc(-c2ccncc2)cs1 761092586 XXYUDKZTQOUZSB-KRWDZBQOSA-N 426.339 5.167 30 20 IKED C=CCn1c(-c2ccccc2C)nn(CN2CCC(OC3CCCCC3)CC2)c1=S 764944394 FPIZUPRAPGJBDJ-UHFFFAOYSA-N 426.630 5.347 30 20 IKED C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 765935997 PDFOVNROYZDGPD-BVZFJXPGSA-N 447.510 5.104 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CC=C(c4ccc(Cl)nc4)CC3)c2)s1 773587930 DBFUNCGDWIXVMT-UHFFFAOYSA-N 434.952 5.334 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1cccc(OC(F)(F)F)c1 775548904 RTYPZYXMSFDAMV-LSDHHAIUSA-N 437.487 5.126 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4ccc(F)cc4F)CCOCC3)n2)cc1 779195375 WXDMWHWWVSHXHL-GOSISDBHSA-N 438.499 5.321 30 20 IKED COc1ccc(C[C@@H](C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC 781447489 JBIVBROBMAIHMN-DOMZBBRYSA-N 448.466 5.387 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1c[nH]c2ccccc12 786277789 WNRRVVPRTVTOIS-CZUORRHYSA-N 430.533 5.127 30 20 IKED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cc(Br)cc(Br)c1O 787028796 WJWQXSRYVBBFPZ-DYZYQPBXSA-N 436.147 5.127 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)c1cccc(-c2cscn2)c1)c1ccc(Cl)cc1Cl 787048727 CPMZCTCWONQNJF-SJCJKPOMSA-N 444.343 5.317 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C[C@H](C)c1c[nH]c2ccccc12 787231190 YDSNSMFFSRNPNI-IRXDYDNUSA-N 435.549 5.238 30 20 IKED CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)[C@H](C#N)c1nccc2ccccc12)OCC3 792103540 SFSKUILALROBST-NEKDWFFYSA-N 437.543 5.723 30 20 IKED CN(C)C(=O)c1ccc(C(=O)/C=C/c2ccc(Br)cc2C(F)(F)F)cc1 792917297 JORZZUUMBBQILS-CSKARUKUSA-N 426.232 5.066 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)O[C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)o1 793123980 GLDYAOVKDUNOJN-JOCHJYFZSA-N 435.911 5.057 30 20 IKED N#Cc1ccccc1N1CCC(NC(=O)c2ccc(-c3cccc4cccnc34)cc2)CC1 796654189 CNNDWMVZYFPDIN-UHFFFAOYSA-N 432.527 5.172 30 20 IKED N#Cc1ccc(-c2nc(-c3ccc(CNc4ccc5nc(O)[nH]c5c4)cc3)no2)cc1Cl 809415810 XHYXQGSPKCUECH-UHFFFAOYSA-N 442.866 5.123 30 20 IKED C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(N2CCCOC2=O)cc1 814303774 BRTIQAUPRKQTAO-FQEVSTJZSA-N 441.531 5.335 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cccs2)C1=O)Nc1ccccc1 837301267 IJVDUEKSYQURBF-IBGZPJMESA-N 439.537 5.048 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(-c2nc([C@H]3CCC(=O)N(CC4CCC4)C3)no2)cc1 856555964 UKYKTFTWHIWRQP-NRFANRHFSA-N 442.519 5.215 30 20 IKED CCCOc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1 915107402 SPKYNWIPANTKFC-KRWDZBQOSA-N 425.435 5.060 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2cccc([N+](=O)[O-])c2)cs1 916269137 TWMPTMPBWRXUBF-UHFFFAOYSA-N 449.414 5.201 30 20 IKED N#C[C@@H](C(=O)NCc1ccccc1)C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 916889837 XMXCPSHRZCTCTB-QGZVFWFLSA-N 429.328 5.361 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1oc2c(ccc3ccccc32)c1C 916901236 BVFSKDWHIDWRCV-SFHVURJKSA-N 446.890 5.826 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(OC)cc3)n2)cc1 916915930 RYFLLVJPFUCQJX-FQEVSTJZSA-N 433.533 5.122 30 20 IKED Cc1nc(Cc2ccccc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916931405 KDZMQGIKGCFBEI-OAHLLOKOSA-N 444.343 5.310 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)cc1 916955414 QRJIZWPGXLMASY-UTKZUKDTSA-N 445.567 5.610 30 20 IKED CCOC(=O)Cc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1 917560104 HAWTUNQVRSCKFB-KAMYIIQDSA-N 448.544 5.138 30 20 IKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCC(F)(F)C4)cc3)CCC2)c1 1785804000 DFLFLTLNWVYDCZ-GOSISDBHSA-N 437.490 5.050 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H](c4ccccc4)N(CC)CC)CCC3)cc2)C1 1785810107 ADDSRDJVLDNRQU-RUZDIDTESA-N 445.607 5.170 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@@H]4c4ccc(F)c(F)c4)cc3)CCC2)C1 1786175584 XTYFVBOPARDGQD-NHCUHLMSSA-N 436.502 5.169 30 20 IKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)o1 1786491372 NESDITAPAHBILQ-UHFFFAOYSA-N 433.895 5.175 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H](F)c4ccccc4)cc3)CCC2)cc1 1786612440 DKFUVXJCLRHUKL-HSZRJFAPSA-N 427.479 5.017 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc4cccc(C)c4[nH]3)cc2)CCC1 1789253836 WLBXALXHSAYYBW-UHFFFAOYSA-N 433.577 5.143 30 20 IKED Cn1c(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)CCC2)cc2ccccc21 1790287732 QACXDHLRQSALRL-UHFFFAOYSA-N 448.526 5.111 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccncc3C(F)(F)F)CCC2)cc1 1791248273 XWNYZBFNYQXTCK-OAHLLOKOSA-N 431.458 5.060 30 20 IKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2occ(Cl)c2c1 1799324980 UFILNYFXFOJINU-REPLKXPHSA-N 426.944 5.106 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C(C)(C)C)s2)C3)c1 1803680323 ZZAVVRHMJJSOEZ-DVWBAYGPSA-N 449.620 5.238 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CCc3ccc(C)s3)C2)CC1 1806983294 FFEYMAJYWNEPHK-UHFFFAOYSA-N 430.658 5.213 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)C[C@H](C)c2ccccc2)[C@H]1c1cccnc1 1812732120 ATQQYYJGKCJTKF-SLFPBUGXSA-N 445.607 5.050 30 20 IKED C=CCSCC(=O)N1CC[C@H](CNC(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1 1812805684 SJZMTWULDVCFSE-QPPBQGQZSA-N 445.673 5.003 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cc(C)cs2)n[nH]1 1815894530 KVHQPTIVHACKFH-CTNGQTDRSA-N 440.613 5.173 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c(C(C)(C)C)c2)n[nH]1 1816111117 LSMGNUBWJNLCCM-LJQANCHMSA-N 439.604 5.334 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCCCC2(F)F)CC1 1823751220 MMSMJURZQLUHJM-RTWAWAEBSA-N 438.603 5.424 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc(F)cc(F)c2)CC1 1823752571 HBEKPOHDPLGIPO-HSZRJFAPSA-N 446.582 5.119 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cccs2)CC1 1827077885 XYPFXLZLGRADQT-IEIJKENGSA-N 426.626 5.149 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)nc2F)CC1 1829066110 OUZDXTOFFQQYGD-IBGZPJMESA-N 449.998 5.100 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc(F)c2)CC1 1830088658 LXKHELJPAMXVDT-JOCHJYFZSA-N 432.555 5.191 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 1831372712 HVMZWYLXRIRFMI-YMXDKZJPSA-N 428.661 5.425 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccccc2Cl)CC1 1832029175 WGINZLYQEQHCAZ-DEOSSOPVSA-N 443.031 5.086 30 20 IKED CCOc1ccc(-n2c(SC[C@@H](C#N)CCC#N)nnc2-c2ccccc2Cl)cc1 15233017 JEGUPRONXFQNDK-MRXNPFEDSA-N 437.956 5.522 30 20 IKED C=CCn1c(C)nnc1SCC(=O)N(Cc1ccccc1)c1nc2c(C)cccc2s1 18405879 LFLXFBLIRFLIDS-UHFFFAOYSA-N 449.605 5.016 30 20 IKED Cc1ccc2nc(-c3ccccc3)cc(C(=O)O[C@H](C)C(=O)Nc3ccccc3C#N)c2c1 21461136 GMYCFTVQTQSCLY-GOSISDBHSA-N 435.483 5.266 30 20 IKED C[C@@H](OC(=O)c1ccccc1Oc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 22742806 HXEWRKVRXCNZRA-OAHLLOKOSA-N 432.501 5.085 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc12 60477233 FZATWQKHEGASRT-INIZCTEOSA-N 448.960 6.149 30 20 IKED N#CCCn1cc(CNCc2cccc(CN3CCCCCC3)c2)c(-c2ccccc2)n1 237832309 QVEXMXGYYDHIDW-UHFFFAOYSA-N 427.596 5.130 30 20 IKED CCc1ccc(N(C(=O)Cc2ccc(OCC#N)cc2)c2nc3ccccc3s2)cc1 303536398 XOOVXOZZADZVHJ-UHFFFAOYSA-N 427.529 5.668 30 20 IKED CC(C)n1c([C@H]2CCCN([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)nc2ccccc21 303590777 RXIQATNBTZTJJF-YADHBBJMSA-N 443.595 5.132 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@H]2CCN(c3ccccc3)C2)c1 303706133 YCNPQBKPQNHSRF-GOSISDBHSA-N 431.923 5.260 30 20 IKED C[C@H](c1cccc(Br)c1)[S@](=O)Cc1cc(C#N)ccc1Br 427477975 DAJXIMQFMOIAPW-WSVYEEACSA-N 427.161 5.093 30 20 IKED Cc1c(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)sc2ccc(C#N)cc12 428130913 MODKFYALIVVMCD-UHFFFAOYSA-N 433.533 5.105 30 20 IKED Cc1cc(C)n(-c2ccc(CNC(=O)c3cccc(SCC#N)c3)c(C(F)(F)F)c2)n1 429840859 OCLKBODIPKTPFJ-UHFFFAOYSA-N 444.482 5.054 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3c(F)cc(F)c(F)c3F)c2)cc1 430958182 WPRCJFWZXAYOJK-UHFFFAOYSA-N 443.400 5.210 30 20 IKED Cc1cccc(CN(Cc2cccc(C)n2)C(=O)Nc2ccccc2SC[C@H](C)C#N)n1 435135470 QENLYXIHBNLISM-GOSISDBHSA-N 445.592 5.580 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(Cl)cc(Br)c1F 435854762 HWJPUJHJSCPZHG-SNVBAGLBSA-N 427.726 5.888 30 20 IKED CC[C@](C)(NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1nc(C)cs1 438185724 DUFVDRRBEILEPD-QHCPKHFHSA-N 436.537 5.571 30 20 IKED CC(=O)N1CCc2cc(NC(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)ccc21 438652606 XOCFNSJTUYKCMX-UHFFFAOYSA-N 430.439 5.043 30 20 IKED Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccc(Oc3ccccc3C#N)c(F)c1)CCC2 438655424 KAHRKUCOYUYGOT-LJQANCHMSA-N 436.512 5.796 30 20 IKED N#CCC[C@@H](NC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1)c1ccccc1 439397923 SRNQAMINMRMDQC-JOCHJYFZSA-N 432.911 5.759 30 20 IKED N#CCC[C@@H](NC(=O)C(=O)Nc1ccccc1Oc1ccccc1Cl)c1ccccc1 439428441 ZMQQKYQHDITRGT-LJQANCHMSA-N 433.895 5.232 30 20 IKED C=CCn1c(SCC(=O)N2C[C@H](C)CC[C@H]2C)nnc1-c1ccc(Cl)cc1Cl 440405314 JOMLWLJZQUBDDO-ZIAGYGMSSA-N 439.412 5.177 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)Nc1ccc(COC2CCCC2)cc1 440991808 ZEUBZDZMTVCHIG-QGZVFWFLSA-N 437.565 5.117 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cc(C(=O)N(C)C)ccc1C)c1ccc(C(F)(F)F)cc1 442197130 VHGDDFBATJFOFP-LJQANCHMSA-N 433.474 5.545 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)CCc1nc2cc(Br)ccc2s1 443872856 DEPXXASSOYUZOI-UHFFFAOYSA-N 431.359 5.058 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)cc1 462277043 UVZCMFSWOOOZMW-BVAGGSTKSA-N 441.531 5.373 30 20 IKED CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 468149480 HVBFHPUBPOAGKX-NRFANRHFSA-N 436.577 5.044 30 20 IKED N#Cc1cccc(-c2cc(C(=O)N3CCSC[C@@H]3c3cccc(C(F)(F)F)c3)on2)c1 468759085 ALQCRDRMPODXBC-LJQANCHMSA-N 443.450 5.162 30 20 IKED CC(C)(C#N)c1ccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cc1 479569630 VUUPDWMQUMNLTB-UHFFFAOYSA-N 428.970 5.537 30 20 IKED CCc1[nH]nc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1Br 480014696 DGVLKNNFBQTLOX-UHFFFAOYSA-N 427.327 5.010 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)cc1 480400464 BMKPUZCQUZNCFT-UHFFFAOYSA-N 427.504 5.771 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cc(Cl)ccc2OCCC)nnc1-c1ccco1 480505670 ITQCNCLJZZYGJK-UHFFFAOYSA-N 446.960 5.287 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H](Cc1ccc(Cl)cc1Cl)C(C)C 482738852 XCXMHMTUBUPQAV-LJQANCHMSA-N 449.426 5.284 30 20 IKED COc1ccc(-c2noc(CSc3nc4c(c(-c5ccco5)c3C#N)CCC4)n2)cc1 486014156 FOOKWMRTZVAEER-UHFFFAOYSA-N 430.489 5.053 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(C(=O)C3CCC3)cc2)cc1 490306367 IABPZMAPNRKGOK-UHFFFAOYSA-N 426.541 6.086 30 20 IKED N#Cc1ccc(S(=O)(=O)Cc2nc(-c3ccccc3Cl)cs2)cc1C(F)(F)F 492372295 BGTTVFXTINPRLQ-UHFFFAOYSA-N 442.871 5.328 30 20 IKED CCN(C(=O)CCCCOc1cccc(C#N)c1)[C@H](c1cccnc1)c1ccc(F)cc1F 496596874 ZXGMMHXITOKDTB-AREMUKBSSA-N 449.501 5.419 30 20 IKED CC(C)c1nc([C@@H]2CCCCCN2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)no1 501134850 OJAXXTRJUILLHZ-QFIPXVFZSA-N 445.523 6.006 30 20 IKED CCOc1cc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)cc(OCC)c1OCC 501188986 TUQIBYBKAVFLDT-UHFFFAOYSA-N 437.521 5.130 30 20 IKED CCc1nc(C(=O)[C@H](C#N)c2nc3ccccc3s2)nn1-c1c(Cl)cccc1Cl 501372515 FUPYAFDXWIHSRG-NSHDSACASA-N 442.331 5.236 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)cc1 503039379 DLUAJDWGYGDARW-QHCPKHFHSA-N 444.604 5.470 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccccc2)nc1)c1nc(-c2ccc(Cl)cc2)cs1 503504949 XKHFTIQJPGIHBC-LJQANCHMSA-N 431.904 6.141 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cccn3)CC2)cc1 503660281 VJGSJHHDRIKKQD-UHFFFAOYSA-N 437.425 5.084 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 505010687 KHAYKVIVOHVPFX-UHFFFAOYSA-N 440.547 6.039 30 20 IKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)N[C@H](C#N)c2ccccc2Cl)cc1 505639986 RDCOZPXEJFOGHE-OAQYLSRUSA-N 449.963 5.374 30 20 IKED N#C[C@@H](NC(=O)c1cnc2ccccc2c1C(F)(F)F)c1cccc(Br)c1 506512879 WAQKSSWFTSGGEI-MRXNPFEDSA-N 434.215 5.011 30 20 IKED COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)N2CCC(C)(C#N)CC2)cc1 509363785 HSNYTCNBHUCSTE-LVZFUZTISA-N 437.543 5.496 30 20 IKED C[C@H](CCc1ccc(O)cc1)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509912761 QBJQUVHIJAFGFH-LJQANCHMSA-N 429.520 5.180 30 20 IKED N#C[C@H](C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cn1 513205098 ABGXXODQPADVDZ-SFHVURJKSA-N 434.339 6.276 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4c(s3)-c3ccccc3CC4)n2)cc1 516270380 VSAXJLAIBVVUCS-FQEVSTJZSA-N 437.549 5.999 30 20 IKED CN(C)CCCOc1ccc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 518257068 ZOQYLCDQDNIMDY-UHFFFAOYSA-N 444.535 5.003 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(N2CCCCCC2)nc1 519077634 HXIBQKTZLKQSAI-UHFFFAOYSA-N 427.508 5.082 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccc(F)cc1)c1ccc(OC)cc1 520143371 BCCCCZLHKWWMJU-XMMPIXPASA-N 449.482 5.230 30 20 IKED Cc1ccc(-n2nc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c3c2CCCC3)cc1 520827546 LJHKIYYVNMUYTA-SFHVURJKSA-N 430.577 5.564 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)[C@H](Oc2ccc(Cl)cc2)c2ccccc2)cc1 521558485 OXMJCKOHDDXBEF-JOCHJYFZSA-N 435.911 5.406 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cccc(CO[C@@H]2CCC[C@H](C)C2)c1 521733679 ZCZQPURIZIDGJF-WMZHIEFXSA-N 438.543 5.074 30 20 IKED C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1occc1COc1cccc(C#N)c1 522571979 RFUPPKQHOASFKD-AWEZNQCLSA-N 429.303 5.398 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 522603382 VWQIDCZXSWERHG-YTTGMZPUSA-N 448.588 5.364 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(Oc2cnccn2)c1 522951239 UDGZKPVJAHPFKG-UHFFFAOYSA-N 436.471 5.280 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(OCC(F)(F)F)n1 523501816 SYFHYRQYSKRJFW-UHFFFAOYSA-N 449.376 5.300 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)c2)c1 523717615 JGPGAHIKDMIZDB-NRFANRHFSA-N 436.298 5.439 30 20 IKED CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 524028519 UXHKYTMZBWWLOT-ISKFKSNPSA-N 437.559 5.250 30 20 IKED CN(C)C(=O)Nc1cccc(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 524740708 XJRFXMFXKKDYTF-UHFFFAOYSA-N 448.910 5.027 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H](CC)c2cc(F)ccc2F)cc1OC 525402621 SLLYADHAQCJHEV-SFHVURJKSA-N 426.301 5.542 30 20 IKED COc1cc(CCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1C 525506363 TWSJOEMDICGGGV-UHFFFAOYSA-N 429.520 5.013 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCCc1nc2cc(Cl)ccc2s1 531775454 IXKFUWVNUVUARA-ZDUSSCGKSA-N 430.986 5.566 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2cccnc2)nc2ccccc12)c1nc2ccccc2n1C(F)F 535404058 SKOYAIYKDTYEGU-SFHVURJKSA-N 439.425 5.532 30 20 IKED COC(=O)[C@H](C)Sc1ccccc1C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 541109333 ITXGGIPUTHUHKC-ROUUACIJSA-N 444.556 5.370 30 20 IKED CCOCCOCc1cccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 543870613 APCXTTNDQBAMIV-HXUWFJFHSA-N 443.547 5.661 30 20 IKED N#C[C@H](C(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1)c1ccncn1 546152402 XBCRDXPJXKUDGF-QFIPXVFZSA-N 434.455 5.011 30 20 IKED N#Cc1cc(Br)ccc1CNC1(c2cccc(C(F)(F)F)c2)CCOCC1 553907428 MQSVWBBTADFKSJ-UHFFFAOYSA-N 439.275 5.135 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 554170254 ARIOKXQXGSSTNV-UHFFFAOYSA-N 449.530 5.466 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1c(F)cncc1F 554419377 OYCATFSDCSJLGE-GFCCVEGCSA-N 428.826 5.560 30 20 IKED CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 555120285 QCQUCVAYCLUQHO-UHFFFAOYSA-N 434.477 5.407 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 558345049 QDILTAAKALYVIC-MAODMQOUSA-N 425.554 5.265 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N(Cc2ccncc2)C[C@@H]2CCCO2)cc1Cl 562842800 BEKFILOWMSDECI-NRFANRHFSA-N 447.922 5.220 30 20 IKED C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1ccccc1Sc1ccccc1C#N 568314977 RUIZXIGHVKOTEF-QGZVFWFLSA-N 443.576 5.176 30 20 IKED Cc1cc(O)c(C(C)C)cc1NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 571828940 SCFYPGLTZKZKEU-UHFFFAOYSA-N 425.960 5.594 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(F)cc2OC2CCOCC2)cc1 578733002 DMZARJIMUNFXIV-UHFFFAOYSA-N 446.478 5.608 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1 579991254 HMMWGDFYIWGKTJ-HXUWFJFHSA-N 439.368 5.503 30 20 IKED CC(C)Oc1ccc(F)cc1NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 589735564 BLHBSTYSDYUDKT-GHMZBOCLSA-N 430.364 5.644 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)CSc3ccc(C(F)(F)F)cn3)c2)c1 603638919 IUZCWCMGUXCWKP-UHFFFAOYSA-N 443.450 5.282 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1Cl 604137375 GGNZOCSOCDEQAP-ZDXOVATRSA-N 449.982 5.409 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 604364722 OQNBEVUELBIAER-UHFFFAOYSA-N 438.984 5.765 30 20 IKED COc1ccc(Cl)cc1NCC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 608903611 XPVJCHMRUXLERB-UHFFFAOYSA-N 435.911 5.044 30 20 IKED Cc1ccc(COc2ccc(C[C@H](C)NC(=O)N(C)Cc3cccc(C#N)c3)cc2)cc1 608913905 FYUBKZOLENXHGK-NRFANRHFSA-N 427.548 5.218 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCc1nc2ccccc2s1 609079138 LEAQJVHVLIGLHS-UHFFFAOYSA-N 442.544 5.420 30 20 IKED CO[C@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1 609079816 JLGTWQYQBSAVLC-HSZRJFAPSA-N 435.911 5.300 30 20 IKED CC(C)c1noc(-c2ccc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)cc2)n1 609647818 OQROHBQFYYYOJF-UHFFFAOYSA-N 438.487 5.563 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3csc(-c4ccccc4)n3)c2)cc1 609682234 DKWKUOOAPNZMCN-UHFFFAOYSA-N 426.501 5.796 30 20 IKED Cc1csc(C2(NC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CCCC2)n1 609844490 JVKYNEQSPMMWOG-UHFFFAOYSA-N 446.576 5.688 30 20 IKED Cc1ccccc1C1CC(N(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C2CC2)C1 610193569 MNQAMQHVVXMPLQ-UHFFFAOYSA-N 426.516 5.590 30 20 IKED COc1ccc2c(c1)OCC[C@H]2NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 610323537 HOLDMPKGFFWHHJ-XMMPIXPASA-N 443.503 5.100 30 20 IKED COc1cccc([C@@H]2C[C@H](C)CN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1 612298659 FCTMXGSZHBWFBP-SBUREZEXSA-N 428.492 5.369 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)nnc1-c1ccncc1 613362069 IORXYAKYTVADKS-ROUUACIJSA-N 443.576 5.037 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ccc(F)cc2)o1)c1nc2cc(C(F)(F)F)ccc2s1 613404995 ZFHOKVSDBOGKRA-CQSZACIVSA-N 430.382 6.204 30 20 IKED N#CCCCn1cc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c2ccccc21 618175413 FASWWCYFGLDRFL-SFHVURJKSA-N 428.561 5.575 30 20 IKED COc1ccc(C2(c3noc([C@@H]4CCCN4c4ccc(C#N)cc4)n3)CCCC2)cc1OC 618428233 BJNONZGUKVPQHK-NRFANRHFSA-N 444.535 5.160 30 20 IKED COCCn1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2ccccc21 619753813 OIIMVYZBAYCOJD-OAHLLOKOSA-N 443.450 5.406 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)NCc3ccc(C#N)c(Cl)c3)c2)cc1 669891605 ZEGUDISSETYCKU-UHFFFAOYSA-N 446.934 5.242 30 20 IKED C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC(F)(F)CC1 670235233 JSTBRVLZGCKPQK-UHFFFAOYSA-N 431.712 5.173 30 20 IKED O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674560590 JRNGWJOOWCYYHD-YUMQZZPRSA-N 435.246 5.051 30 20 IKED O=C(N[C@H](Cc1ccccc1)c1ccccc1F)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674634265 MDVNZOIALCFDPD-JFIYKMOQSA-N 448.382 5.492 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1 728116672 ONZJMDJYUQJEIR-ISKFKSNPSA-N 449.476 6.730 30 20 IKED CCN(C(=O)/C=C\c1ccccc1C#N)[C@H]1CCSc2ccc(Br)cc21 728845256 GHIIWXWEYXAXEF-KWEPMOPPSA-N 427.367 5.420 30 20 IKED CCOc1ccc(CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C(C)C)cc1 729036769 QXEXIHXEFKQLCI-SANMLTNESA-N 427.548 6.183 30 20 IKED Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C/c1c(C)nn(C)c1Cl 730148691 JSPKOJHZXKRKRQ-CMDGGOBGSA-N 436.762 5.472 30 20 IKED CC(C)(C)n1cc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)c(-c2ccccc2Cl)n1 731158720 GYZZPWVMKIBJNR-QXMHVHEDSA-N 449.938 5.811 30 20 IKED C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1ccc(OCc2ccccc2C#N)cc1 732017935 AVVCWFYOVJZTLV-BVFVYWQFSA-N 426.516 5.128 30 20 IKED CC[C@H](C#N)Oc1cc(CNCc2ccc(-c3ccc(Cl)c(Cl)c3)o2)ccc1OC 733330149 POYNCCJMQSGWMF-QGZVFWFLSA-N 445.346 6.233 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CCOc3cc(C)c(C)cc3C2=O)cs1 733748799 JYZFIEUDPQIYHL-ATVHPVEESA-N 436.508 5.632 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)c1 733806553 JZMMOEBNOBLENQ-NOZRDPDXSA-N 449.501 5.429 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)ccc1F 734082497 DGIDDKUZBNHNIB-OAHLLOKOSA-N 438.484 5.181 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N[C@H](c2ccccc2)C2CCOCC2)c1 734350802 SHBDVAQWNJVRQH-AREMUKBSSA-N 426.516 5.035 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)CCCSc3ccc(Br)cc3)[nH]c12 735787878 ABDIORSVNPPBNR-INIZCTEOSA-N 428.355 5.383 30 20 IKED COc1ccc(COCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 737323169 PSXRGZGZNVESMI-LJQANCHMSA-N 426.925 5.255 30 20 IKED C#CCOc1ccc(C(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)cc1 741571682 WFALNHWDGCZVIK-UHFFFAOYSA-N 443.478 5.075 30 20 IKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C=NNc2ccc(Cl)nc2)c1 743449902 HGGIOWCBMPWLSL-UHFFFAOYSA-N 433.899 5.051 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CC[C@H](COCc4ccccc4)C3)c2)s1 743626149 TYKWBQGEZZHCLU-NRFANRHFSA-N 431.561 5.035 30 20 IKED CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(C#N)o2)NC(=O)N1Cc1cccs1 743743348 XNSOJKJWGNHCNI-QFIPXVFZSA-N 446.532 5.009 30 20 IKED COc1cc(C(=O)/C=C\c2cn(Cc3ccccc3)nc2-c2cccnc2)ccc1SC 747615107 SGIMFJVGBDWJBL-BENRWUELSA-N 441.556 5.620 30 20 IKED O=C(O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cc(O)nc2ccc(F)cc12 750219025 RHPLMAFFGJAIPV-INIZCTEOSA-N 433.279 5.559 30 20 IKED C#Cc1cccc(N(C)Cc2csc(N(C(C)=O)c3ccc(Cl)c(Cl)c3)n2)c1 756507349 ACRRWTNTQCYDIU-UHFFFAOYSA-N 430.360 5.752 30 20 IKED COc1cc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)c(OC)cc1O 763107730 WZNBBWDZGAXTQM-KHPPLWFESA-N 437.879 5.211 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1nc2cc(C(F)(F)F)ccc2s1 766846228 JLMSAWQLKPWULT-SDDRHHMPSA-N 440.368 5.712 30 20 IKED COc1cc2c(cc1NC(=O)[C@H](C#N)c1nc3ccccc3n1C(F)F)oc1ccccc12 774546263 MVNRMJCDMZOZEZ-OAHLLOKOSA-N 446.413 5.585 30 20 IKED Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)Cc4ccccc4CC#N)cc3s2)s1 776834303 VETQLOMVAWNJGR-UHFFFAOYSA-N 446.557 5.166 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 779449865 QSFVDMRQNSJUPV-RDJZCZTQSA-N 429.904 5.223 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 780672293 ATDQHPCLJVYXQR-HXPMCKFVSA-N 438.286 5.029 30 20 IKED Cc1ccc(-c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)s2)o1 781760742 AWYZRWXAOFYNTB-AWEZNQCLSA-N 432.473 5.592 30 20 IKED Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 782390974 CXGCTTDDFYVMIU-CYBMUJFWSA-N 441.340 5.100 30 20 IKED CC(C)(C#N)CCCOC(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 783040958 BMDWSHQYZCYUHI-UHFFFAOYSA-N 443.341 5.117 30 20 IKED CC(C)(C)Sc1ccc(NC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)cc1 784256571 FMLDOYXDYDPTRB-UHFFFAOYSA-N 436.562 5.150 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2sc(SC(F)F)nc2C)cc1 796632932 YMSIIBLUBXRNCE-ABAIWWIYSA-N 437.537 5.170 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1 797668672 XPPVBIHJGYPJBS-GFCCVEGCSA-N 432.427 5.764 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cc3c(C)nn(C)c3s2)cs1 806578855 MTHWYFRGNTXZCL-JXMROGBWSA-N 436.562 5.289 30 20 IKED CCSc1cccc(Br)c1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 810306120 AWAVGMZUDJBOJA-KRWDZBQOSA-N 446.370 5.038 30 20 IKED C#Cc1ccccc1CC(=O)N(CC)[C@@H](c1ccc(Br)cc1)c1cccnc1 812994609 LQWBKZVECCCMAO-DEOSSOPVSA-N 433.349 5.006 30 20 IKED N#CCCCn1cc(C(=O)N[C@H]2CCc3nc(C4CCCCC4)[nH]c3C2)c2ccccc21 816398893 JZFSTDATDHXXTE-IBGZPJMESA-N 429.568 5.003 30 20 IKED CC(C)n1cc(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(C2CCOCC2)n1 856674311 KGYNTRIPVCZCQA-LJQANCHMSA-N 442.563 5.388 30 20 IKED Cc1csc(SCc2c(C(=O)[C@@H](C#N)c3nc(C)cs3)oc3ccccc23)n1 915100066 CQFXFZQJLZZNBX-CQSZACIVSA-N 425.560 5.745 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(-c2ccc(F)cc2)o1 916904409 CKOTWDUTPVFBNV-FQEVSTJZSA-N 440.430 5.839 30 20 IKED C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 917044323 SIJNNRBRUFIKPF-PWSUYJOCSA-N 440.302 6.095 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(N2CCCC2)cc1 919904772 MEDYWFPLWKIGFK-UHFFFAOYSA-N 426.520 5.581 30 20 IKED CC[C@@H](C)Cc1c(C)sc2nc(SCc3cccc(C(=O)OC)c3C#N)nc(O)c12 1640819921 MPDSUDBANLKWQW-GFCCVEGCSA-N 441.578 5.245 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5occc5c4)cc3)CCC2)cc1 1789049618 RLISSKJMYHKVSO-UHFFFAOYSA-N 435.483 5.366 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5cnccc45)cc3)CCC2)c1 1789328107 MWXXCIVBCITYDW-UHFFFAOYSA-N 446.510 5.168 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1 1797769403 HKJSZOINKRUUHS-WIYBCGNWSA-N 429.004 5.074 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1810504886 IZXGNEVFIHBHRC-RBBKRZOGSA-N 439.987 5.047 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](CCC)n2cccc2)[nH]n1 1819305861 PTYOBEWZOWBMAM-BAGYTPMASA-N 437.588 5.013 30 20 IKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)[nH]n1 1822400409 KUYHHIIHMYKMFH-JOCHJYFZSA-N 432.499 5.098 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1828294645 GDUHPTSPXYULEM-GAJHUEQPSA-N 442.003 5.267 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 1831372706 HSCPNZXNGUDOJI-LAUBAEHRSA-N 442.600 5.486 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 1831374592 GFJLIXSBPWWZDZ-DYESRHJHSA-N 436.518 5.151 30 20 IKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 1831562844 CSYQNHVUACYKMV-QLBJFCOMSA-N 446.676 5.051 30 20 IKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1832830029 WQKJAXZAXKTZFF-SANMLTNESA-N 446.566 5.139 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccc(C)c(F)c2)cc1 14872317 NDLYCOQDXAQJJW-UHFFFAOYSA-O 441.979 6.078 30 20 IKED C=CCn1c(SCc2nc(-c3ccc(C(C)C)cc3)no2)nnc1-c1ccccc1OC 22047448 XYHMNEIZCFATFZ-UHFFFAOYSA-N 447.564 5.605 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccc3c(c2)CCCC3)s1 22729424 DBGXZUPRSPOAGI-UHFFFAOYSA-O 435.638 5.891 30 20 IKED Cc1cc(C)cc(N/C(S)=C(\C(=O)c2ccc(C)s2)[n+]2ccc3c(c2)CCCC3)c1 22730240 ZMYFIXVIJRGPHA-UHFFFAOYSA-O 435.638 5.891 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)n1 26142583 FVYCEMMQLFXNPG-VIFPVBQESA-N 440.447 5.149 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nnc1-c1ccco1 28503368 PHBAWOULELXRAP-OAHLLOKOSA-N 438.553 5.072 30 20 IKED O=C(Nc1cccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1)c1ccc(F)cc1 30844944 ZAMZOWSAKVGGQE-UHFFFAOYSA-N 435.458 5.125 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccccc1OC 36832927 JUHPOIDRBSUYSQ-GOSISDBHSA-N 436.581 5.184 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)nnc1-c1ccccc1 39221711 SYVJWISTRLZTRR-LJQANCHMSA-N 447.608 5.241 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1csc(-c2cc(Br)cs2)n1 58135712 UDQQFTIQIYONJN-UHFFFAOYSA-N 446.395 5.557 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 58434246 BVTAVHLQECZWLQ-UHFFFAOYSA-N 436.899 5.079 30 20 IKED C=CCN(Cc1cccs1)C(=O)c1ccc(C(=O)N(CC=C)Cc2cccs2)s1 60604545 APAFKBSUDUWYDA-UHFFFAOYSA-N 442.631 5.528 30 20 IKED CCOC(=O)c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nc1C 107876897 FZSMLWWVPYRJNC-FQEVSTJZSA-N 433.895 5.128 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3cccc(OCC#N)c3)c3cnn(C(C)C)c3n2)c(C)s1 107965175 KPUBHAZNUHCAIF-UHFFFAOYSA-N 445.548 5.512 30 20 IKED CCC(CC)CN(CCC#N)C(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C 303289240 WPZGRAZJXQGCNB-UHFFFAOYSA-N 435.572 5.681 30 20 IKED CC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 303626150 DXXPAQYDTLTSFE-UHFFFAOYSA-N 440.286 5.868 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)cc1 429021939 SGHNLXRJFCTTTA-UHFFFAOYSA-N 447.922 5.284 30 20 IKED Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1C(=O)Nc1ccccc1SCCC#N 430927499 QYBLKVLWGGHTGM-UHFFFAOYSA-N 441.512 5.054 30 20 IKED CC(C)(NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cc(C(F)(F)F)on1 432756984 KJDOUYOQNOWGGM-UHFFFAOYSA-N 430.386 5.414 30 20 IKED CCOc1cccc([C@@H]2C[C@H]2NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 437217271 APZBYODNRDVISH-BJKOFHAPSA-N 428.557 5.535 30 20 IKED Cc1nc(CN(C)C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)cs1 438539732 ILDCOPUDILEKJL-UHFFFAOYSA-N 446.454 5.798 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)c(C)c1 438845102 ZEYQWBTWSHVOFC-WBVHZDCISA-N 441.622 5.715 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)c1 439352744 PGOZCTSVKRXITM-UHFFFAOYSA-N 445.450 5.166 30 20 IKED N#CCC[C@@H](NC(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1)c1ccccc1 440234644 AXWYYGYGXMWIJO-PZJWPPBQSA-N 449.942 5.324 30 20 IKED COc1cc(F)c(NC(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1F 444861203 RZEANLSMLVOAFJ-AWEZNQCLSA-N 442.306 5.807 30 20 IKED CSCc1cccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 446225618 IJPFOJVMMSKKOH-UHFFFAOYSA-N 431.561 5.516 30 20 IKED COc1ccccc1NC(=O)c1ccc(NCc2cccn2Cc2ccccc2C#N)cc1 446902678 PSOIHGYVDUUMPD-UHFFFAOYSA-N 436.515 5.281 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(Cl)cc1Nc1ccccc1 447702510 ZDRHSAXKFALSAQ-UHFFFAOYSA-N 444.926 5.186 30 20 IKED COc1ccc(S(=O)(=O)Nc2ccccc2S[C@H](C)CC#N)c(Cl)c1Cl 460826455 AGSDELCPXQCBRD-LLVKDONJSA-N 431.366 5.197 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 468651773 MMJRMEOWPNVJKB-GOSISDBHSA-N 431.565 5.575 30 20 IKED CC(C)[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(C(F)(F)F)cc1 469192459 JMOLHVZPAWVJEY-QHCPKHFHSA-N 429.486 6.098 30 20 IKED Fc1cc(NCCOCC(F)(F)C(F)F)ccc1Oc1ccc(C(F)(F)F)cn1 469284307 NALFIWHRZFCLFV-UHFFFAOYSA-N 430.295 5.361 30 20 IKED CCC1(CC)CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC[S@@]1=O 469465210 RRXOVTHZDORBEJ-WRGVRERRSA-N 444.000 5.150 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3C[C@@H]3c3ccc(C(F)(F)F)cc3)ccc21 469953426 NNQWFVSCKHVGMM-UXHICEINSA-N 441.453 5.031 30 20 IKED C[C@@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nc(C(F)(F)F)cs1 470582939 LRTFXLSGSPBQKS-CYBMUJFWSA-N 431.439 5.104 30 20 IKED COc1cc(C)ccc1Oc1ccc(F)cc1NCc1nnc(-c2ccc(C#N)cc2)o1 471628796 WCJAJRXKXZWYIZ-UHFFFAOYSA-N 430.439 5.469 30 20 IKED Cc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c(-c2nc(C3CC3)no2)c1 471648259 KWSOPFWTPCENOP-UHFFFAOYSA-N 440.459 5.218 30 20 IKED C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F 473759314 GJOYBEZNGWUYTM-UHFFFAOYSA-N 442.915 5.229 30 20 IKED CCN(C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 473816167 HDIRYBSBVBCSAR-RZUBCFFCSA-N 436.625 5.628 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 476789768 GIXXBOPEWQEYQM-UHFFFAOYSA-N 448.588 5.269 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC(c2noc(-c3ccccc3OC)n2)CC1)c1ccccc1 479744203 KIPJXDRBAYUTHQ-JOCHJYFZSA-N 446.551 5.342 30 20 IKED COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc([N+](=O)[O-])c1C 480115198 ZVYWHRMHQISXES-UHFFFAOYSA-N 439.415 5.189 30 20 IKED N#CCCSc1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 480182484 URZIXJKPXUNBCI-PKTZIBPZSA-N 428.557 6.014 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C 480601491 ALWYYTPKUHCCEW-UHFFFAOYSA-N 439.968 6.182 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Br)c2ccccc12 480746721 GVTOBGNTQOIDOZ-UHFFFAOYSA-N 429.314 5.298 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccccc1)N[C@H](c1cccc(F)c1F)C(F)(F)F 482457632 TWRXUFXNELVZHG-DZGCQCFKSA-N 426.307 5.561 30 20 IKED C=C(C)Cn1c(SCc2nc(-c3ccc(N4CCCC4)cc3)no2)nnc1-c1ccco1 482539993 CAAPPMUFECBRDI-UHFFFAOYSA-N 448.552 5.057 30 20 IKED CC(C)(C)n1cc(C(=O)[C@@H](C#N)c2nccc3ccccc23)c(-c2ccc(F)cc2F)n1 483206617 URPRAKIOZRYWFU-IBGZPJMESA-N 430.458 5.622 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(Cl)c3Br)cc2)nc1 486822658 IMUPGPCOTXRCRG-UHFFFAOYSA-N 428.673 5.414 30 20 IKED COc1ccc2cc(CN(C)C(=O)CNc3ccccc3SC[C@H](C)C#N)ccc2c1 487396147 RFNJDCQCLOHFQJ-GOSISDBHSA-N 433.577 5.171 30 20 IKED O=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1cc(OC(F)F)cc(OC(F)F)c1 488414428 FBLXVPCTIGAFCG-UHFFFAOYSA-N 429.332 5.275 30 20 IKED C=CCC[C@H](C(=O)Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1)c1ccccc1 488641814 ASRLTBHKZBCWNI-NRFANRHFSA-N 433.939 5.354 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1coc(-c2ccc(F)cc2)n1 499103188 VZXDXIFIFHGAHZ-UHFFFAOYSA-N 427.435 5.634 30 20 IKED Cc1sc([C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)nc1-c1ccc(Cl)cc1 503429092 NBFUKLUVRWLRTL-DMZKTXOQSA-N 447.988 5.211 30 20 IKED COc1ccc(CN(CC2CC2)C(=O)Nc2ccccc2SC[C@H](C)C#N)c(OC)c1 505311617 RSVKJIWCSUVORH-QGZVFWFLSA-N 439.581 5.400 30 20 IKED CC(C)N(Cc1cccnc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 506777308 LUWRYNNDUZBUCQ-UHFFFAOYSA-N 434.927 5.628 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 508235070 SDPFZNHQKPPPRT-UHFFFAOYSA-N 439.752 5.465 30 20 IKED CCN(C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)[C@@H](C)c1ccc(C#N)cc1 509576601 XICLBOCQJLNTSP-INIZCTEOSA-N 445.523 5.230 30 20 IKED N#Cc1ccc(SCC(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)cc1 509640622 PQYXONXLYOTREI-FQEVSTJZSA-N 427.485 5.367 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)cc1 509682268 FYVJTQQZRBYRDE-HXUWFJFHSA-N 431.517 5.045 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC=C(c2ccc(F)cc2)CC1 510873154 UNJVEPXWMUGTAO-UHFFFAOYSA-N 427.479 6.119 30 20 IKED C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 511925182 DEBNGXZKBKAOKZ-JTFAEATFSA-N 440.975 5.130 30 20 IKED CCOC(=O)c1c(NC(=O)N(C[C@H](C)C#N)C2CC2)sc(C)c1-c1ccc(F)cc1 513711432 IIZPFSXRSIOMIJ-CYBMUJFWSA-N 429.517 5.195 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)CCC(=O)c3ccc(-c4ccccc4)cc3)CC2)c1 517080463 NEZPVVNOAXYTRA-UHFFFAOYSA-N 438.527 5.258 30 20 IKED Cc1noc(C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)CC2)n1 517114967 GTJKHOSHWZRMPL-UHFFFAOYSA-N 437.887 5.107 30 20 IKED COc1ccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1Cl 517461216 FGRCMXFOXDWULH-UHFFFAOYSA-N 442.890 5.944 30 20 IKED CC(=O)Nc1ccc(N(Cc2ccc(Br)cc2)C(=O)c2cccc(C#N)c2)cc1 518311841 WFEPXULZVOLTBU-UHFFFAOYSA-N 448.320 5.126 30 20 IKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccccc1 518573236 DILGFUQVZOFJPG-HSZRJFAPSA-N 427.504 5.193 30 20 IKED COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 520604489 HELUROABYPYQPQ-XMMPIXPASA-N 431.511 5.741 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N(Cc1ccco1)c1ccccc1C#N)O[C@@H](C)C2 520765263 YSVDMSLUNGVVIN-HYVJGQCMSA-N 442.515 5.210 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccc(C)cc4C)n3)n2)cc1 521177297 NZYVOCKIOXDAIJ-IBGZPJMESA-N 445.569 6.049 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCn4cccc4[C@@H]3c3ccccc3)c2)cc1 522390622 DVYVIRSKOFUYGS-MHZLTWQESA-N 433.511 5.184 30 20 IKED C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1 522636092 MQONEQMZQXIZKL-GGPKGHCWSA-N 437.971 5.481 30 20 IKED Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 522702602 UTFGDBQHRCAORH-PKOBYXMFSA-N 426.561 5.319 30 20 IKED CC(C)n1c(CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)nc2ccccc21 524055973 IDNITLCPUIJDDZ-UHFFFAOYSA-N 428.467 5.350 30 20 IKED CC(C)[C@H](Sc1ccccc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 524278256 JXSARDCIVNTPBA-SFHVURJKSA-N 440.619 5.457 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 524437978 ILTUYJRZPJTSDN-RXFWQSSRSA-N 441.531 5.440 30 20 IKED COc1ccc(Br)cc1SCCC(=O)Nc1ccc(C#N)c(Cl)c1 525004530 TUDROWNVVHSXAW-UHFFFAOYSA-N 425.735 5.104 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 525598230 ZOAJZMHHDBGQSM-FQEVSTJZSA-N 433.870 5.010 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1CCN(C(=O)c2ccccc2)CC1 525655158 QXBPLJNDBYQCJE-UHFFFAOYSA-N 439.515 5.150 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2ccn(-c3ccccc3)n2)cc1Cl 531539574 YWMBCIQHDLIMDM-HSZRJFAPSA-N 426.907 5.362 30 20 IKED COc1ccc([C@@H](NCc2cccc(C#N)c2F)c2ccccc2)cc1Br 537048186 QXMIWPLRPKZZBK-QFIPXVFZSA-N 425.301 5.348 30 20 IKED CO[C@@H](C)C(=O)Nc1cccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 543849114 LJPPCUVHINXTFR-ROUUACIJSA-N 442.519 5.081 30 20 IKED CC(C)c1oc([C@H]2CCCN2S(=O)(=O)CC2(C#N)CCCC2)nc1-c1ccccc1 544713333 IVBHVXOQUCANLR-LJQANCHMSA-N 427.570 5.016 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3CCOc4ccc(F)cc43)cc2F)c1 548736189 MQRYUWITGOMQBX-NRFANRHFSA-N 435.430 5.061 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 553084998 IYAXKGVYUPCFOZ-UHFFFAOYSA-N 428.488 5.312 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccccc3Oc3c(C)cccc3C)CC2)o1 556393279 PWTQDBRGKKWWEX-UHFFFAOYSA-N 430.508 5.119 30 20 IKED C=CCn1c(-c2ccccc2OC)nnc1N1CCc2sc(-c3csc(C)n3)cc2C1 564254953 IQFCDURLPARBGB-UHFFFAOYSA-N 449.605 5.196 30 20 IKED C=CCC[C@@H](N[C@@H]1CCCc2ccc(S(N)(=O)=O)cc21)c1ccc(C(F)(F)F)cc1 570323466 NPOJWVSQABKJFA-NHCUHLMSSA-N 438.515 5.027 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)C34C[C@@H]5C[C@H](C3)CC(C(F)(F)F)(C5)C4)cc2)ccn1 571815774 DGVHNRNOHIQAKX-IWENEADUSA-N 441.453 5.833 30 20 IKED Cc1c(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)sc2ccc(C#N)cc12 571866999 XIPOEOIQFPOUOI-UHFFFAOYSA-N 444.541 5.342 30 20 IKED C[C@](C#N)(NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)C1CCCCC1 573874398 BARXEGIKGMFWJU-RUZDIDTESA-N 445.592 5.005 30 20 IKED Cc1cc(C(=O)Nc2ccc(C#N)c(Br)c2)ccc1NC(=O)c1cccs1 578362910 GIEHWZDIJYCZGF-UHFFFAOYSA-N 440.322 5.195 30 20 IKED Cc1ccc(CNC(=O)c2cccc(-c3noc(C[C@H](CC#N)c4ccccc4)n3)c2)cc1 579159657 VZSABKYQYLORHR-QFIPXVFZSA-N 436.515 5.215 30 20 IKED Cc1ccc(OCCCC(=O)Nc2ccc(CN[C@H]3CCc4ccc(C#N)cc43)cc2)cc1 580381531 JEPSNGFGLSQCNC-MHZLTWQESA-N 439.559 5.442 30 20 IKED O=C(NCCc1ccc(F)cc1Cl)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603542332 QQCYEPINLNFOQX-GHMZBOCLSA-N 434.783 5.230 30 20 IKED Cc1nc(-c2cccs2)ccc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 603995918 QRYKSPLXXWIINM-UHFFFAOYSA-N 438.512 5.495 30 20 IKED Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)[nH]c2c1 604509948 FVULCEICAAQHAH-JOCHJYFZSA-N 438.491 5.299 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N(Cc3ccc4c(c3)OCO4)C3CCCC3)o2)cc1 609054695 ISNUPVBQTNJUKE-UHFFFAOYSA-N 444.487 5.044 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc2c(OC(F)F)cccc2[nH]1 609072382 KCBRXQRXZAYSPX-UHFFFAOYSA-N 447.441 5.781 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 609078975 GDISCXNRDHUUSA-XMMPIXPASA-N 443.522 5.824 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] 609079028 XQHSYBVTLOCSLO-UHFFFAOYSA-N 430.464 5.018 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]3c3ccccn3)cc2Cl)c1 609080151 VBHZTZPROKYWMF-JOCHJYFZSA-N 432.911 5.555 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)N[C@@H]3CCSc4ccc(Cl)cc43)CC2)c1 609212003 QIWRQIKKAGZRNQ-HXUWFJFHSA-N 427.957 5.002 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)cc1C 609309719 JZEVLWUMTKMFGC-KRWDZBQOSA-N 435.597 5.326 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(CCc3ccccc3)Cc3ccncc3)cn2)c1 609317841 HBRDAWWUNQDGTC-UHFFFAOYSA-N 449.514 5.417 30 20 IKED Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)s1 609318705 UNZDAVXVXIGKFA-CQSZACIVSA-N 440.956 6.302 30 20 IKED Cc1c(C(=O)Nc2ccccc2SC[C@H](C)C#N)oc2ccc(Br)cc12 609378203 ZVDUEGYGDZVMQH-GFCCVEGCSA-N 429.339 6.008 30 20 IKED N#C[C@H](NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1)c1cccc(Cl)c1Cl 609414505 VFNIABRANUJOFA-GUYCJALGSA-N 445.375 5.201 30 20 IKED N#C[C@@H](NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)c1ccc(Cl)c(Cl)c1 609460583 VFJUQEGTGXJLHO-RDTXWAMCSA-N 445.375 5.201 30 20 IKED Cc1c(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cccc1OCC(F)(F)F 609644111 WULGSEFKKWJHMG-UHFFFAOYSA-N 440.421 5.639 30 20 IKED COc1cccc(N2CCC[C@H](NC(=O)c3ccccc3Sc3ccccc3C#N)C2)c1 609757716 RLHRRBLHVTZURZ-FQEVSTJZSA-N 443.572 5.117 30 20 IKED N#CCn1c(C(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc2ccccc21 610310841 XGBRAALPUBFBOJ-UHFFFAOYSA-N 440.450 5.237 30 20 IKED CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 610877239 OLKNWWZWJBJCDR-FQEVSTJZSA-N 439.943 5.193 30 20 IKED CC(C)Cn1ncc2cc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cnc21 623173832 BCGIODRCOPNODO-HNNXBMFYSA-N 443.454 5.206 30 20 IKED O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 674033960 KGXFIJAVGRWNST-BJDJZHNGSA-N 428.339 5.127 30 20 IKED Cc1onc(-c2cccc(Br)c2)c1C(=O)[C@H](C#N)c1ccc2ccccc2n1 676998536 SVIBIWZGTDKORT-QGZVFWFLSA-N 432.277 5.451 30 20 IKED O=C(Nc1cccc(C(F)F)c1Cl)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 680491422 ZNQKUQMTIOAHOP-BRPSZJMVSA-N 438.746 6.309 30 20 IKED O=C(Nc1cc(-c2ccccc2F)on1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 683968089 GVOLFYHYLAGRJA-AOOOYVTPSA-N 425.304 5.075 30 20 IKED C[C@@H](C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1c(Cl)cccc1Cl 726030770 XDXSSXBVFSPVDR-CQSZACIVSA-N 429.303 5.391 30 20 IKED CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(COc2ccc(C#N)cc2)o1 728110997 YPIOMLQCIZPRIQ-QZTJIDSGSA-N 446.503 5.428 30 20 IKED N#C[C@@H](C(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1ccc2ccccc2n1 730071691 QKPXBDHUJBCDAR-KBMIEXCESA-N 430.479 6.223 30 20 IKED Cc1sc2ncnc(SCCC(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c2c1C 730419680 CNHYLAQTYSEFBS-CYBMUJFWSA-N 442.566 5.416 30 20 IKED O=C(O)c1ccc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)s1 730589058 GDMCQRSQMFCGHZ-DJWKRKHSSA-N 448.250 5.273 30 20 IKED C[C@H](Sc1ccccc1Cl)C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731074213 LOAKJTVWYJLJTA-CABCVRRESA-N 448.997 5.397 30 20 IKED C#CCN(C(=O)Nc1c(C)cccc1C(C)C)[C@@H]1CCOc2ccc(Br)cc21 733614929 OQSDHIMYKWGJDR-HXUWFJFHSA-N 441.369 5.872 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)c1 733806555 JZMMOEBNOBLENQ-ZCYQVOJMSA-N 449.501 5.429 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1nc2ccccc2s1 734211211 RWOSESMUSWJTEE-KRWDZBQOSA-N 442.544 5.938 30 20 IKED N#CCSc1ccccc1C(=O)NCCCCSc1ccccc1Br 734462859 LJBMPGYVHQRBES-UHFFFAOYSA-N 435.412 5.367 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1nc(-c2ccccc2)cs1 741430785 MJIKUEIWRVEZAI-GVDBMIGSSA-N 428.435 5.689 30 20 IKED N#Cc1cc(NC(=O)c2ccc(SCc3ccccc3)cc2)ccc1N1CCC(O)CC1 743734240 HYLFQUVGSOLMEI-UHFFFAOYSA-N 443.572 5.064 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3cccc(Br)c3)n2)cc1 744034183 CGYHNRKVGXVPCJ-RDTXWAMCSA-N 441.350 5.525 30 20 IKED CCn1c(SCC(=O)[C@H](C#N)c2nc(C(C)C)cs2)nnc1-c1ccc(Cl)cc1 747196946 QUEPAGVOAWNMGV-HNNXBMFYSA-N 446.001 5.167 30 20 IKED COc1ccc(/C=C\C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1OCCCC#N 747361443 NETVMTPXLKLYRR-NTMALXAHSA-N 448.500 5.911 30 20 IKED COc1ccc(CNC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)cc1C#N 747432622 YWTBKHVTXYGXJL-NRFANRHFSA-N 444.535 5.392 30 20 IKED COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCCCCC#N)cc1OC 747660649 QDFQJGSOSABDBK-MNDPQUGUSA-N 442.515 5.589 30 20 IKED COc1cccc(NC(=O)/C(=C/c2cnc(-c3ccncc3)s2)C(=O)c2ccccc2)c1 753140479 BRGUMUPHUCEBTD-PXLXIMEGSA-N 441.512 5.119 30 20 IKED O=C1/C(=C/c2cnc(-c3ccncc3)s2)COc2c(Br)cc(Cl)cc21 753144104 YHXAOAAERWVJSY-VZUCSPMQSA-N 433.714 5.280 30 20 IKED Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3occc3COc3cccc(C#N)c3)o2)cc1C 758943098 ORAZMQRSKXXHJS-QGZVFWFLSA-N 443.459 5.315 30 20 IKED CCOc1ccc([C@@H](NC(=O)Nc2ccc(F)cc2OCC#N)C(C)C)cc1OCC 761663744 AXZRMGKXJXHHEF-QFIPXVFZSA-N 429.492 5.044 30 20 IKED N#Cc1cccc([C@H]2CN(Cc3csc(-c4cccc(Br)c4)n3)CCO2)c1 761756198 FTBTXTALXHLQPJ-HXUWFJFHSA-N 440.366 5.018 30 20 IKED N#CCSc1ccccc1C(=O)NCc1ccc(-n2cnc3ccccc32)cc1Cl 767093689 MCBZLYJGYOVMDR-UHFFFAOYSA-N 432.936 5.225 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1csc(Cc2ccc(C)cc2)n1 768781542 SYOGFEYHPJGZJI-FQEVSTJZSA-N 431.561 5.128 30 20 IKED O=C(O)C(=O)/C(=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2ccccc2n1 771847440 PWMZPIUTPDMSSY-OQLLNIDSSA-N 439.311 5.467 30 20 IKED C=CCC[C@@H](C(=O)OCc1nnc(-c2ccc(Br)s2)o1)c1ccccc1 778558884 GNOLRCXIIRTZRC-CQSZACIVSA-N 433.327 5.354 30 20 IKED N#Cc1cccc(COc2ccc(NCc3c[nH]nc3-c3ccc4c(c3)OCO4)cc2F)c1 779595928 QCUZKTUKLBGLIE-UHFFFAOYSA-N 442.450 5.007 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3ccccc3n2CC(F)(F)F)cc1 786316984 UKLYGCGIHGJYPV-HNAYVOBHSA-N 441.453 5.678 30 20 IKED CC[C@H](NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(Cl)s2)n1)c1ccccc1 787039242 QJKSPOQUGUPHER-KGLIPLIRSA-N 429.954 5.115 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1c[nH]cc1-c1ccccc1F 787194950 WZDOTZDYEYRHBY-OAHLLOKOSA-N 437.496 5.011 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CC=C(c3cccc(Cl)c3)CC2)ccc1OC 793011065 FVTURTQFTIOSND-NRFANRHFSA-N 439.943 5.028 30 20 IKED O=C(c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl)N1CCC(F)(F)CC1 794289608 KLTNOKBQIYWHOL-UHFFFAOYSA-N 443.750 5.051 30 20 IKED C[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1ccc(N(C)Cc2ccccn2)c(F)c1 796723455 BRVHFBMVZKWWID-SIKLNZKXSA-N 431.511 5.549 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(C(=O)Nc3ccccc3)c2)cc1 796792621 JZPAIIDKZDDURZ-MHECFPHRSA-N 439.515 5.414 30 20 IKED CCOC(=O)Oc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 800388088 XYBAQLIUNHLUKQ-AWEZNQCLSA-N 434.395 5.340 30 20 IKED COCCCn1nccc1/C=C\C(=O)c1ccc(-c2ccccc2Br)s1 802703492 GWERJQSQHBVKKT-FPLPWBNLSA-N 431.355 5.307 30 20 IKED CC1(C(=O)OCc2coc(-c3cccs3)n2)CCN(c2ccc(Cl)cc2C#N)CC1 805595942 DUYHQJMXHONTJK-UHFFFAOYSA-N 441.940 5.278 30 20 IKED Cn1c([C@H](C#N)C(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)nc2ccccc21 805845634 NZJHRUHALYDNFE-WIYYLYMNSA-N 446.551 5.042 30 20 IKED CC(C)(CCC#N)CNC(=O)c1cc(-c2cccnc2)nc2c(Br)cccc12 807846481 AKXFAIMRQQBAJO-UHFFFAOYSA-N 437.341 5.119 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(C(=O)OCc2cc(Cl)ccc2OCC#N)s1 811289460 YVMJNZGORZWKKO-UHFFFAOYSA-N 436.917 5.032 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@](CO)(Cc3ccccc3)C2)cc1 812919641 OJVGOPSJELVSQI-XCZPVHLTSA-N 439.559 5.191 30 20 IKED COc1cc(C=NN=C(C(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccncc1 912778985 GXXPOLWNVKHOAK-UHFFFAOYSA-N 449.510 5.375 30 20 IKED CCN1C[C@H](CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)Oc2ccccc21 915352955 PLCZUCCDLDLVAU-BJKOFHAPSA-N 440.547 5.093 30 20 IKED C=CCNC(=S)/C(=C(/O)c1cc(Cl)ccc1Cl)[n+]1ccc(C(CC)CC)cc1 916202561 JUJJPUGARPGURH-UHFFFAOYSA-O 436.428 6.171 30 20 IKED Cc1cc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)c(C)n1Cc1ccco1 916276880 MHJONKJAWFETBL-UHFFFAOYSA-N 446.363 5.482 30 20 IKED Cc1cc(C)c(OCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(C)c1 916905463 OUHPJMBAIUSEND-OAQYLSRUSA-N 428.488 5.131 30 20 IKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 917119648 RAYPYSPMBBNHGF-XDHUDOTRSA-N 429.545 5.420 30 20 IKED COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 917669133 OAVSFXOJOLBULZ-VGSWGCGISA-N 430.529 5.248 30 20 IKED Cc1ccc([C@@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(C)c(C)c2)s1 920172959 LQEMJWWLFLTDNP-UZLBHIALSA-N 441.622 5.035 30 20 IKED CC(C)CC(=O)Nc1cccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 920782692 FGLFCBRIRYPYTI-VWLOTQADSA-N 440.547 5.648 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(C(F)(F)F)cnc2O)cc1Cl 1464141531 HIOJJLKRPSGXJK-QGZVFWFLSA-N 431.801 5.367 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccncc4-c4ccccc4)CCC3)cc2)C1 1785808493 GNUYZHQLYSOPKP-UHFFFAOYSA-N 437.543 5.463 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3c(C)noc3CCC)CCC2)cc1 1786103636 RFQIVABWFVGFJA-UHFFFAOYSA-N 435.568 5.452 30 20 IKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)o1 1786493031 SROGREHYJTUGTO-KRWDZBQOSA-N 427.504 5.277 30 20 IKED CC1=CC[C@@H](C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)ccc4F)CCC3)cc2)CC1 1789114261 BKQOIPTXMSFQEZ-LJQANCHMSA-N 431.511 5.191 30 20 IKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)c[nH]1 1789508196 VZOADYWOTIGHFG-UHFFFAOYSA-N 435.644 5.122 30 20 IKED CC[C@H]1CC[C@H](C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)ON=C(C)C)CCC3)cc2)CC1 1791464526 MRBRODKASKUDTD-VAMGGRTRSA-N 427.589 5.138 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)cc(Cl)c3)cc2)CCC1 1792112873 ACTFBAUFVSNQLV-QGZVFWFLSA-N 441.959 5.197 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCC2(CCCN(C(=O)CCC3CCCC3)C2)CC1 1808946855 QDMVHXJDNHPBNI-UHFFFAOYSA-N 444.736 5.239 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1814830249 URZYFTIISQICEB-FDDCHVKYSA-N 445.567 5.111 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)[nH]n1 1821920079 CVMYUTXAAKGVAF-ZRRCRCOKSA-N 440.975 5.071 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCC3CCCC3)CC2)c1 1826269984 CJMNYVJYNGZRDD-LVXARBLLSA-N 449.639 5.517 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C3CC3)cc2)CC1 1830748690 CSBKQQIUELHRMA-FTJBHMTQSA-N 434.624 5.566 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CC3CCCC3)CC2)c1 1832633718 DMEOKPZXCUIDCF-NLFFAJNJSA-N 435.612 5.127 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2cccc(O)c2)cc1 10762854 XSEMRVSSULCCLC-UHFFFAOYSA-O 429.924 5.086 30 20 IKED O=C(/C(=C(\S)Nc1cccc2ccccc12)[n+]1cccc(O)c1)c1ccc(F)cc1F 11126869 VUZBNQNZVJRNCC-UHFFFAOYSA-O 435.475 5.162 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccc(F)cc2F)cc1 11249638 POYCVGDEAGJLIS-UHFFFAOYSA-O 439.551 5.989 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cccc(Cl)c1)=C(/S)Nc1cccc(OC)c1 11259467 LHRXHERGXCQJSA-UHFFFAOYSA-O 425.961 5.249 30 20 IKED Cc1cc(C)cc(-c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCCC4)o2)c1 22236912 CBZLMPUIYNICOJ-UHFFFAOYSA-N 438.578 5.286 30 20 IKED C[C@H](OC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)N(CCC#N)c1ccc(F)cc1 22932461 GESALWVZHBAIDP-LBPRGKRZSA-N 448.878 5.325 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)nc2sc(C)c(C)c2c1=O 23405013 RTKYVTKCBUXUQO-AWEZNQCLSA-N 448.013 5.342 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(F)ccc1Br 32040393 RAAYDUVTSBNGGZ-YUMQZZPRSA-N 436.165 5.228 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H](c1ccccc1)N1CCCC1 32047933 IGGWBJMZQDGGRT-HSZRJFAPSA-N 427.573 5.276 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1N1CCCCC1 63389390 FMGYSKUKZVHARU-UHFFFAOYSA-N 428.920 5.459 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 63402925 FNKGNXASOFPOBB-LJQANCHMSA-N 446.507 5.028 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cc1 64706503 XMYOSBKZEZRXOY-IBGZPJMESA-N 446.576 5.446 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccccc1SCCC#N 78669042 XNDBJYYIUBHKEN-UHFFFAOYSA-N 443.981 5.942 30 20 IKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2cccs2)c1)c1nc(-c2ccncc2)cs1 195662482 BALVZEKGWSTXLQ-KRWDZBQOSA-N 430.514 5.009 30 20 IKED C=CCNC(=O)Nc1ccc(NCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1 236745961 KCLHDSDOVOOTST-UHFFFAOYSA-N 435.553 5.056 30 20 IKED N#Cc1cccc(COc2cccc(CN[C@H](c3ccc4c(c3)OCCO4)C3CC3)c2)c1 237857286 FDYKWNKOQHAUMI-MHZLTWQESA-N 426.516 5.149 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)cc1 303926672 URIQHIWJMSDISY-UHFFFAOYSA-N 439.943 5.001 30 20 IKED CN(Cc1cn2c(n1)CCCC2)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 429453839 ZODJTSOJVIMGSX-OAQYLSRUSA-N 433.943 5.192 30 20 IKED C[C@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1cccc(OCc2ccccn2)c1 431814913 PYHGUBKZCLBEEC-NBGIEHNGSA-N 428.536 5.456 30 20 IKED CC(C)(c1ccc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cc1)C(F)(F)F 433601098 VQSXXJRSRSVJFJ-UHFFFAOYSA-N 428.376 5.603 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@H](Cc1cccc(Cl)c1F)C(C)=O 436182004 GFUSEGSTQZNMHL-LJQANCHMSA-N 445.947 5.128 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](COCc4ccccc4)C3)cc2)cc1 438229615 WGLFWNCOOQPJAY-JOCHJYFZSA-N 427.504 5.421 30 20 IKED CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 441237001 VOWKFYVSKVCNFT-CTNGQTDRSA-N 437.609 5.055 30 20 IKED C=CC[C@H]1N(C(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)CCCC1(C)C 443861867 SDMJOUFUFKDBED-RUZDIDTESA-N 448.607 5.294 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)c2ccccc21 444039179 LCUFLSDYZURPTL-UHFFFAOYSA-N 446.526 5.855 30 20 IKED Cc1ccc(C)c(-c2csc(NC(=O)Cc3noc(/C=C\c4ccccc4C#N)n3)n2)c1 445419006 PPYNMKANIRCRQF-KTKRTIGZSA-N 441.516 5.033 30 20 IKED Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)c1c(F)cc(C#N)cc1F 446047844 YUNWMEWNZNRCKO-UHFFFAOYSA-N 448.448 6.134 30 20 IKED CC(C)c1nc(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccc2n1 447335448 PBMOTYFETSUJNQ-MRXNPFEDSA-N 436.606 5.878 30 20 IKED C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 460580589 YLZSWOQKWWKUQM-NMEJYPJZSA-N 434.565 5.202 30 20 IKED CSc1cccc([C@@H](NCC(=O)Nc2ccc(CC#N)cc2)c2cc(F)ccc2F)c1 462173135 BZVFXENEMOFCDV-XMMPIXPASA-N 437.515 5.070 30 20 IKED Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 464273508 BCCOXDAXNAOKCG-UHFFFAOYSA-N 442.353 5.233 30 20 IKED C=CCC[C@@H](NC(=O)N1CC[C@](CO)(c2ccccc2)C1)c1ccc(C(F)(F)F)cc1 464373286 INACSUQWVRFRJA-GGAORHGYSA-N 432.486 5.058 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)c2ccccc21 469417948 LEAVVBRQVZOITF-UHFFFAOYSA-N 435.833 5.792 30 20 IKED C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470567209 ZYELXYKSGPDKIB-QGZVFWFLSA-N 438.959 5.018 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3ccc(F)cc3-c3ccc(F)cc3)C2)n1 471868819 IHIJOSSRJLCGNT-LJQANCHMSA-N 432.474 5.062 30 20 IKED C=CCNC(=O)Nc1ccc(N[C@@H](c2ccccc2)c2nc(-c3ccccc3)no2)cc1 475760019 RSMZQSFKQXLRPN-QFIPXVFZSA-N 425.492 5.246 30 20 IKED N#CC[C@H](CC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1)c1ccccc1 475776019 CDUMUKYMKNAJMO-AOYPEHQESA-N 437.543 5.690 30 20 IKED C[C@H](NC(=O)CNc1ccccc1S[C@H](C)CC#N)c1ccc(OC(F)(F)F)cc1 476372078 ZNQCGQJHEBNVMF-CABCVRRESA-N 437.487 5.269 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@@H](CCc3ccccc3)C(F)(F)F)cc2)nc1 478791172 BQTAQTKRRAWUBN-FQEVSTJZSA-N 425.410 5.039 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCc2c(Br)cccc2[C@H]1C 480558877 UYCHHEHZGORGEM-HUUCEWRRSA-N 444.398 5.852 30 20 IKED N#CCC[C@H](NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccccc1 482320148 SAZSYULXYAWAPT-IRXDYDNUSA-N 429.364 5.653 30 20 IKED COc1ccc([C@@H](NCc2ccc(C#N)cc2OC)c2ccc(C(F)(F)F)cc2)cc1 486215636 COFFORNHSZJBAV-QHCPKHFHSA-N 426.438 5.473 30 20 IKED N#CCCC[C@@H](NC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)c1ccccc1 487506993 WVBMXVWTAIYODL-OAQYLSRUSA-N 427.533 5.161 30 20 IKED N#CCCC[C@H](NC(=O)c1cc(Br)ccc1Br)c1ccccc1 487601599 JHCDGPABRAFWFC-KRWDZBQOSA-N 436.147 5.377 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2Oc2cccc(F)c2)o1 490249676 UBHOSTFQCIAVIK-UHFFFAOYSA-N 428.419 5.914 30 20 IKED CC(C)(C)c1nc(CCNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cs1 499333020 KLPQGGVJVWRWEC-UHFFFAOYSA-N 448.592 5.450 30 20 IKED CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1 500905569 UQHQAAJYAQLIAH-UHFFFAOYSA-N 433.895 5.391 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)c3cccc(-c4noc(C(F)(F)F)n4)c3)n2)c1 502072347 SMUYMSWTWOOXAS-UHFFFAOYSA-N 441.394 5.003 30 20 IKED COc1cc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1NC(C)=O 502321412 VJHVMNVEPQGGRC-HXUWFJFHSA-N 448.910 5.606 30 20 IKED C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 502513929 SPKSSKZFXFJKDQ-FQEVSTJZSA-N 445.538 5.466 30 20 IKED Cc1nnc(-c2ccccc2C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)o1 505456555 BJCYZBQDZBJFEQ-ILGMOKPNSA-N 444.560 5.459 30 20 IKED N#Cc1ccc(-c2nnc(CN[C@H](c3ccccc3C(F)(F)F)C(F)(F)F)o2)cc1 505836614 APIKLLWYXVRFMP-MRXNPFEDSA-N 426.320 5.020 30 20 IKED C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(c2ncccc2Cl)CC1 508490050 PLTFAXNMRHQJNP-INIZCTEOSA-N 441.938 5.176 30 20 IKED C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(OC(C)(C)C)CC1 508748998 UBSZVOAFBNYCIP-UHFFFAOYSA-N 437.613 5.347 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C 510247082 ZQQHHZYCVHFYDS-UHFFFAOYSA-N 439.519 5.510 30 20 IKED COc1cc(F)c([C@@H](C)NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1OC 510717438 PULPSWLVBACDMU-CQSZACIVSA-N 438.430 5.137 30 20 IKED COc1cc(F)c([C@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cc1OC 510762032 KIRZTGCWWMMNBM-HNNXBMFYSA-N 436.508 5.357 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@@](CO)(c3ccccc3)C2)c1 513098270 DEHBVUDEGKXVHZ-AREMUKBSSA-N 446.934 5.170 30 20 IKED C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1ccc(Br)s1 515559811 YRJGLVFDUJEAFQ-MRXNPFEDSA-N 440.370 5.168 30 20 IKED C=CCOc1cccc(NC(=O)C(=O)N[C@H](c2ccc3c(c2)CCCC3)c2cccs2)c1 517830442 QUJBYBMZADJGRE-XMMPIXPASA-N 446.572 5.036 30 20 IKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1c(F)cccc1F 518147423 MYYYYLMAWMCYQL-LLVKDONJSA-N 429.414 5.428 30 20 IKED C[C@@H](Nc1ccc(F)c(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 519275339 PUNVMKYBRXASBX-MRVPVSSYSA-N 439.287 5.211 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N(Cc1ccccc1)Cc1ccccc1F 520151520 KSPNCHGCEMFZBT-UHFFFAOYSA-N 432.495 5.094 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCCC[C@H]3c3cc4ccccc4[nH]3)c2)cc1 521748035 IWVWFOKBGZCJCR-SANMLTNESA-N 436.515 6.591 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(-c4nc5ccccc5s4)cn3)cc2)nc1 521953063 MXIDAKSEHQYWJN-UHFFFAOYSA-N 449.495 5.670 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c1C 523535534 XDDHTLIYROBMIJ-ROUUACIJSA-N 425.319 5.410 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1 524644029 XLESJMYYKGOVTE-UHFFFAOYSA-N 434.496 5.062 30 20 IKED N#C[C@H](C(=O)c1ccnc(-n2cccn2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 524809867 GGGHSBJCZJQXHK-OAHLLOKOSA-N 440.315 5.188 30 20 IKED N#Cc1ccc(NC(=O)c2ccccc2OCc2cccc(Br)c2)cc1C#N 524836437 UGBXESAFSKZKNO-UHFFFAOYSA-N 432.277 5.024 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3OC(F)(F)F)s2)cc1 524914579 STIOESGKGCNCBR-QZTJIDSGSA-N 443.450 5.246 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1NC(=O)Nc1ccccc1 525472139 ZFNKVWNMRQFUAC-UHFFFAOYSA-N 446.510 5.686 30 20 IKED CN(C(=O)c1c(F)cc(C#N)cc1F)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 530787262 MMUKLCJXMRUANA-UHFFFAOYSA-N 433.336 5.319 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)c3ccc(C(=O)N(C)c4ccccc4)cc3)c2C#N)C1 535328011 ZNPKZQPDRSAONY-MRXNPFEDSA-N 429.545 5.273 30 20 IKED Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 536420113 LINPAWNHHMXKMT-UHFFFAOYSA-N 445.906 5.913 30 20 IKED CN(Cc1cc(F)c(F)c(F)c1)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 537515953 ZCGVSUIUPZIYBI-UHFFFAOYSA-N 438.343 5.185 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H]1CC[C@H](C(=O)N(CC=C)Cc2cccs2)CC1 540889056 WIPMLXVTBPZKOF-MXVIHJGJSA-N 442.650 5.345 30 20 IKED Cc1c(Cl)cnc(N[C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)c1C#N 541349548 WGFTVRLUDQPXIA-HXUWFJFHSA-N 446.359 5.174 30 20 IKED CC(C)NC(=O)Nc1ccc([C@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 542106676 ODMIMXPJRUIPIV-PMACEKPBSA-N 426.564 6.167 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)n2)c(F)c1 543887322 NMXRMLMDCMBVNR-GOSISDBHSA-N 444.297 5.559 30 20 IKED Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 543889349 URKGSIJAUNEZEA-CQSZACIVSA-N 442.976 5.511 30 20 IKED O=C(CCC(F)(F)F)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 544017224 UZEZTCLIFKQPQM-JTQLQIEISA-N 435.208 5.786 30 20 IKED O=C(c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 553348620 SBCZCKMFKPQZQG-UGSOOPFHSA-N 449.366 5.144 30 20 IKED COc1ccccc1Nc1ccccc1C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 553545124 VUCLTNJLZBQITD-UHFFFAOYSA-N 445.494 5.133 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 554436067 XWSJOMRKVUAOHY-NRFANRHFSA-N 426.561 5.022 30 20 IKED CC(C)(CCC#N)CNC(=O)c1cc2cc(Br)cc(Br)c2o1 558000626 YPKGUDHTCYHOBZ-UHFFFAOYSA-N 428.124 5.018 30 20 IKED COCCC[C@@H](c1ccc(Cl)cc1)c1noc(-c2cnc(C(F)(F)F)c(C#N)c2)n1 559992999 NFSYIPIVKZJLEN-INIZCTEOSA-N 436.821 5.234 30 20 IKED N#Cc1c(NC(=O)c2oc3ccccc3c2CSc2ccccc2F)n[nH]c1C1CC1 561624038 UABFTSASUOLLER-UHFFFAOYSA-N 432.480 5.589 30 20 IKED N#C[C@H](NC(=O)c1nc2ccccc2cc1Br)c1cccc(C(F)(F)F)c1 564343057 PEPLGYBXEUUDNX-INIZCTEOSA-N 434.215 5.011 30 20 IKED CN(C[C@H]1OCCc2ccccc21)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 567020279 LXSUJTDIVPJGDH-XMMPIXPASA-N 432.907 5.390 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NCc1ccc(F)cc1C#N 583231085 HNQPORISCVXJGH-LBPRGKRZSA-N 430.346 5.743 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 588296616 UNXCDMUFNAMNMW-RTWAWAEBSA-N 447.348 5.206 30 20 IKED C=CCN(C(=O)CSCc1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603459262 HAXOOVQTKKXKRV-UHFFFAOYSA-N 443.525 5.310 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 603746340 RLNJFYPKMIWVKA-RUZDIDTESA-N 436.559 5.793 30 20 IKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)cc1 603757524 MOWCVMARAWHJHP-UHFFFAOYSA-N 432.545 5.022 30 20 IKED Cc1ccc([C@@H](C)N(C)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c(C)c1 604085248 ZDPURAFTEDXMOP-MRXNPFEDSA-N 437.594 5.544 30 20 IKED N#C[C@@H](C(=O)c1coc(-c2ccccc2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 606753768 NBXHWIXSBGZDCV-HNNXBMFYSA-N 440.311 6.262 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)CCCc1cc(-c2ccc(F)cc2)no1 608785303 UHVKOBDRQFPNHZ-UHFFFAOYSA-N 436.487 5.236 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)c1 608808186 UGYBAFBJTNEDLB-QUCCMNQESA-N 426.394 5.035 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 608841103 KNDXZDQVBZLBGA-JWQCQUIFSA-N 427.504 5.701 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1nc(-c2ccsc2)oc1C 608871419 YTKJYABEKRQPFP-UHFFFAOYSA-N 445.519 5.807 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@](C)(CC(=O)O)C1CCCCC1 609076084 IKWCCPXSFZWPLH-AREMUKBSSA-N 434.536 5.446 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 609078927 DOMAYZVEPABEMI-KRWDZBQOSA-N 425.492 5.205 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)s1 609177446 UYOBCTMBTXTPAZ-UHFFFAOYSA-N 431.542 6.025 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@@H](C)c2sc(C)nc2C)cc1 609318670 YBQDTUTZIYPJBR-HNNXBMFYSA-N 436.537 5.657 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(NC2CCCCC2)s1 609371034 UZKMUWZIYCFGAH-CQSZACIVSA-N 447.655 5.265 30 20 IKED CCc1ccc([C@H]2CCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)o1 609807845 SKWWYMQZFYFITQ-JOCHJYFZSA-N 428.492 5.335 30 20 IKED C[C@H](Sc1nnc(-c2cccc3ccccc23)o1)C(=O)N(CCC#N)c1ccc(F)cc1 610166595 SUCSAAZHOCHXAV-INIZCTEOSA-N 446.507 5.456 30 20 IKED O=C(Nc1ccc(F)cc1Br)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618543021 JKMXJHRTNLAHTR-HTQZYQBOSA-N 437.153 5.183 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)cc1 622925293 JLADIFFLZJICPR-ZCYQVOJMSA-N 447.579 5.132 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)nnc1-c1ccco1 638643660 AKGLXJNMMYSFES-QGZVFWFLSA-N 436.537 5.147 30 20 IKED COc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1OC 642281614 MMTRPUQZUWQTBY-AWEZNQCLSA-N 433.316 5.624 30 20 IKED CSc1c(F)cc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F 680239257 FRQWLDVALHFTDR-HTQZYQBOSA-N 436.368 5.718 30 20 IKED O=C(CCCCC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1 681716793 OSNNYSYKYXPKTD-ZIAGYGMSSA-N 427.360 5.158 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)cc1 727589063 GUBBGWREZCQPCH-DNQXCXABSA-N 439.515 5.482 30 20 IKED C#Cc1cccc(N(C)C(=O)c2c3c(nc4ccccc24)CCN(Cc2ccccc2)C3)c1 728482989 WSZBQLGWHHLBCC-UHFFFAOYSA-N 431.539 5.051 30 20 IKED Cc1ccc(Cl)c(N2C(=O)/C(=C/c3cccc(OCC#N)c3)SC2=S)c1Cl 728609866 APFROBFIUIJXIO-GDNBJRDFSA-N 435.357 5.610 30 20 IKED CCOc1ccc(CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C(C)C)cc1 729036764 QXEXIHXEFKQLCI-AREMUKBSSA-N 427.548 6.183 30 20 IKED Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2cc3ccccc3n2CC#N)c2ccccc2)c1 729768722 ISSGPRWGKWSECG-RUZDIDTESA-N 437.499 5.319 30 20 IKED N#CCOc1cccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c1 730151249 IRHBFMHYJOYDQF-UHFFFAOYSA-N 425.538 6.397 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3COc3ccc(Cl)cc3)cc2)nc1 732058495 ZRFJPIVFXMPRSY-FQEVSTJZSA-N 433.895 5.083 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 732708651 SYXCLMYGJFSLFR-MRXNPFEDSA-N 444.796 5.511 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(Oc2ccccc2)nc1 733679223 WTHVQMJZKDVZDP-GOSISDBHSA-N 439.443 5.150 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)c1 733769988 ASIFIZLYUFUSTB-INIZCTEOSA-N 447.482 5.245 30 20 IKED C[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 733903172 NPVWLWOAPAJLHP-SNVBAGLBSA-N 449.404 5.435 30 20 IKED C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1ccc(N2CCCC2)cc1 733903213 OKKLSZURZUGNPL-SFHVURJKSA-N 428.561 5.340 30 20 IKED N#CCOc1ccc(Cl)cc1CSc1nnc(-c2cccnc2)n1Cc1ccccc1 735231359 SXDZJIKANAJZQK-UHFFFAOYSA-N 447.951 5.236 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCS[C@@H](c3ccccc3)C2)cc1 735482150 IXGABKZHBGFHKJ-XMMPIXPASA-N 430.598 5.781 30 20 IKED C=CCc1cc(CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc(OC)c1OC 740059102 GFGNMTCZRHZMLR-UHFFFAOYSA-N 447.560 5.032 30 20 IKED C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 741058287 BHUFTUHYCYGFHF-AMGIVPHBSA-N 438.575 5.470 30 20 IKED O=C(/C=C\c1cc(Br)ccc1OC(F)F)c1c(Cl)nc2sccn12 741844950 TUUSDTDDAFQLSA-IWQZZHSRSA-N 433.661 5.309 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nc2ccccc2s1 743238758 UTGXCQQJDKILML-AWEZNQCLSA-N 432.480 5.982 30 20 IKED Sc1nnc([C@@H]2CCCCO2)n1N=Cc1ccc(-c2ccc(Br)cc2)s1 743451489 FNWRIIZVFCNQOD-HNNXBMFYSA-N 449.399 5.182 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@H](C)c3ccccc3C(F)(F)F)n2)cc1 744060851 CWEPZFUPDBZIIN-KSSFIOAISA-N 444.478 6.208 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(Oc2ccccc2)o1 749025542 IYQORXYFNMCSKJ-INIZCTEOSA-N 428.416 5.348 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)/C=C(/C)c1ccccc1OC(F)F 753393957 IXXURRXQVOKWPT-LMRWQKIVSA-N 448.853 5.009 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)cc1 754405573 YVHYJDYMAYVIBT-LAUBAEHRSA-N 436.508 5.279 30 20 IKED CCN(C(=O)Cc1cccc(OCC#N)c1)[C@H](c1cccnc1)c1csc2ccccc12 760450057 FZVGKOXMTGDVPC-AREMUKBSSA-N 441.556 5.379 30 20 IKED CCCc1cc[n+](/C(C(=S)Nc2ccc(CC)cc2)=C(/O)c2ccc(C#N)cc2)cc1 762445258 KWGYBSGJAGOILD-UHFFFAOYSA-O 428.581 5.684 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CCc3c(sc4ccccc34)C2=O)cs1 763100476 IWKDUWZWJLIZPS-NTCAYCPXSA-N 448.544 6.394 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1cccc(OCc2ccccc2)c1 764918154 FNDQLQLCAUGHBS-IBGZPJMESA-N 430.504 5.092 30 20 IKED FC(F)(F)C1CCC(C=Nn2c(S)nnc2-c2cccc(Br)c2)CC1 767361674 PZAWQBBVEYKFJW-UHFFFAOYSA-N 433.297 5.199 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2cnn(-c3cccc(Cl)c3)c2C)ccc1OC 772980555 SPMXRGFALNNXOE-KKSFZXQISA-N 438.959 5.375 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(C3CCCCC3)nc2C)cc1Cl 775229036 YJVDNPUNHLDIAI-HNNXBMFYSA-N 431.945 5.122 30 20 IKED CCC(CC)n1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1C 776516804 NUHQMNFIKUKMTA-HXUWFJFHSA-N 430.508 5.306 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)nn1-c1ccc(Cl)c(Cl)c1 777299895 AFIVVPVSSCUHOY-HNNXBMFYSA-N 447.709 5.102 30 20 IKED C=CC[C@H](OC(=O)C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1)c1ccccc1 778740332 YADRHAXTAUHEMX-NRFANRHFSA-N 427.928 5.061 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 780164168 VQXDPUDDZWWOTO-KRWDZBQOSA-N 442.906 5.736 30 20 IKED CC(C)(C)OC(=O)NCc1cccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1 786760436 BROUCRFZGHUWBY-UHFFFAOYSA-N 444.491 5.023 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 790965156 GKBJOYRRKFYXEA-LJQANCHMSA-N 448.350 5.654 30 20 IKED Cc1c(Br)cccc1CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 791785480 XQYAZBABERDYSA-QGZVFWFLSA-N 436.334 5.172 30 20 IKED CCCOc1ccc(C(=O)Nc2ccccc2O[C@H](C)C#N)c(OCc2ccccc2)c1 792546535 BFGLBIWFNIHJGH-LJQANCHMSA-N 430.504 5.598 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)COc1cc(Cl)ccc1Cl 798111339 ABCBNBXXLCPRMJ-UHFFFAOYSA-N 445.096 5.011 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cc(Cl)c(Cl)cc2F)ccc1OC 799242947 NSYDYMISCLXFRT-LBPRGKRZSA-N 426.275 5.144 30 20 IKED C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(c2cc3ccccc3[nH]2)CC1 800778642 AZKRJKQVNRGRGP-XMMPIXPASA-N 425.536 5.006 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 804563179 YJCDQWAYWDEUBZ-HXUWFJFHSA-N 446.636 5.042 30 20 IKED C[C@H](CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H](C)CO)c1ccccc1 806200569 HHMIQGJFNPHZBB-SWYRRKHMSA-N 427.548 5.360 30 20 IKED C#CCC1(c2nc(-c3ccc(CNc4ccc5nc(O)[nH]c5c4)cc3)no2)CCCCC1 809415743 UKKJKAAOWHIYJM-UHFFFAOYSA-N 427.508 5.156 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1 915086868 XUYOTQBKVKGQAE-RUZDIDTESA-N 432.483 5.242 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(N[C@@H](C(=O)NCc2ccccc2)c2ccccc2)cc1 915223671 UQMQCTKOGATBDY-VSGBNLITSA-N 431.539 5.812 30 20 IKED C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915352562 MFMQRJYTEFFAMC-KBMIEXCESA-N 436.519 5.148 30 20 IKED COc1cccc(/C=C\C(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)c1OC(C)C 916128109 RMCMPVIHRKCBJY-VKAVYKQESA-N 445.515 5.396 30 20 IKED CCCOc1cc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)ccc1OC 916309991 QKQOYNDQAAQLHX-UHFFFAOYSA-N 433.533 5.113 30 20 IKED CCCCOc1ccc(C=Nn2c(S)nnc2-c2ccccc2Br)cc1 916349753 VIWIVXAESKVVEK-UHFFFAOYSA-N 431.359 5.057 30 20 IKED N#C[C@H](C(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1 916884790 GMNHPHMRXXFBLV-OAHLLOKOSA-N 425.699 5.153 30 20 IKED Cc1nc(-c2ccccc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916887385 NSHYIRDJJSYTAD-MRXNPFEDSA-N 443.500 5.394 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 916902592 FWVYGQTWEBDZMS-HXUWFJFHSA-N 435.524 5.120 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(NC(=O)c3cccs3)c2)cc1 916913941 INHPOMYNGFTMEK-OAQYLSRUSA-N 445.544 5.304 30 20 IKED Cc1nc(Cc2ccccc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 916946485 WEYLUFONCLQIFR-QGZVFWFLSA-N 444.343 5.310 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc([C@@H](C)CC)cc2)cc1OC 916954676 JUSAUJRIEPPJID-HNAYVOBHSA-N 442.943 5.612 30 20 IKED CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916975138 AHYGVEKAMHREPO-IRLDBZIGSA-N 449.963 5.176 30 20 IKED COc1cc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1C 916995781 HKYPUBKWZQXENZ-MRXNPFEDSA-N 431.344 5.853 30 20 IKED COCCOc1ccc(C(=O)/C=C/c2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1OC 917146472 NTRKALYMWCRVMH-ZHACJKMWSA-N 440.927 5.072 30 20 IKED COc1cc(C#N)cc(Cl)c1OC(=O)[C@H](C)Sc1ccc(Br)cc1 917602434 XUJZPQNRIOMYHW-JTQLQIEISA-N 426.719 5.069 30 20 IKED CC(C)c1cccc(C(C)C)c1NC(=O)CON=C(N)c1cc(Br)cs1 917624572 HNZHUOXIIKMHHX-UHFFFAOYSA-N 438.391 5.033 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4cccs4)cc3)CCC2)cc1 1786949317 PHXNCTWYRYQAPM-UHFFFAOYSA-N 429.545 5.000 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3scnc3C3CC3)cc2)CCC1 1787185512 GTHVCNGHCSQNRS-FQEVSTJZSA-N 435.593 5.537 30 20 IKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3ccccc3F)CCC2)cc1 1788649857 BTEVDRHWAPWIMB-OUKQBFOZSA-N 448.519 5.074 30 20 IKED CC1=CC[C@@H](C(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)CC1 1789111571 FJAGZZCBQGYPNJ-JKIKYLSZSA-N 448.588 5.368 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)c(OC)c3)CCC2)cc1 1789455985 HTBRARHCMNSEKD-JOCHJYFZSA-N 448.563 5.220 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5cc[nH]c5c4)CCC3)cc2)cc1 1790287763 SWHDKHNNGPFVAI-UHFFFAOYSA-N 434.499 5.101 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ccc(OC)cc34)CCC2)cc1 1791249973 FCCGHFLOUMCZLT-QGZVFWFLSA-N 431.536 5.136 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)s2)[C@H]1c1cccnc1 1802491697 KOUPOGAVLLBOFI-XLIONFOSSA-N 446.016 5.109 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C3CC3)cc2)[C@H]1c1cccnc1 1811846918 ANBFMSZDDNVFIG-JWQCQUIFSA-N 445.607 5.271 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](F)c2ccccc2)n[nH]1 1815550617 XFEUUOPYQBHPEC-TZIWHRDSSA-N 426.536 5.105 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c(-c3ccc(C)cc3)c2)n[nH]1 1816101579 LYXWTUABHZIMTD-WZONZLPQSA-N 445.567 5.231 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3cc(C)[nH]c23)[nH]n1 1819305614 MBCLSHDVIYJKNC-KNQAVFIVSA-N 445.567 5.274 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc[nH]c3cc2F)n[nH]1 1820202258 GTPOROPEBDLHCX-HTAPYJJXSA-N 449.530 5.104 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C23CCC(CC2)CC3)CC1 1828829246 GEVQVWTUNCQNNL-IUSXEQEKSA-N 426.645 5.345 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(Cl)s2)CC1 1829396840 CIMAJNQOLMMYCW-KRWDZBQOSA-N 438.037 5.022 30 20 IKED CC(C)c1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)cc1 1830014989 GBOXLIOILNUXEE-AREMUKBSSA-N 443.591 5.229 30 20 IKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 1830770814 HQEYVNIHZONWTH-DEOSSOPVSA-N 449.982 5.067 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C(C)=C/c2cccnc2)CC1 1832198453 XQJWBVTZYSGCQD-QZPFXSPMSA-N 437.628 5.097 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1ccc(Cl)cc1C(F)(F)F)C2 1844357685 KOOMRECKGKOKPT-UHFFFAOYSA-N 442.909 5.168 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1 9334279 MDNOICOMGJZAIE-CQSZACIVSA-N 447.391 5.407 30 20 IKED C[C@@H](OC(=O)c1cc(Cl)sc1Cl)C(=O)Nc1sc2c(c1C#N)CCCCC2 18582976 XGJWARLWKVLSMU-SECBINFHSA-N 443.377 5.441 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cc(C)ccc2C)cc1 22729795 GUSLLQVWJMRWDE-UHFFFAOYSA-O 429.609 5.693 30 20 IKED COc1ccc(CCN/C(S)=C(/C(=O)c2ccccc2)[n+]2ccc(C(C)(C)C)cc2)cc1 22801074 YCFQDNRHJCZPOC-UHFFFAOYSA-O 447.624 5.051 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)nnc1-c1ccoc1C 23519375 VBTKRRVLLNRSSE-AEFFLSMTSA-N 446.576 5.544 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(\S)Nc2cccc(Br)c2)c1 23604617 POSRZUVNUBGZIA-UHFFFAOYSA-O 443.390 5.041 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2Cl)o1)C(=O)Nc1cccc2ccccc12 105263220 VXBJYZJUFPRTOI-IBGZPJMESA-N 443.890 5.428 30 20 IKED C=CCn1c(SCc2ccc(OCc3ccc(F)cc3)cc2)nnc1-c1ccncc1 303062515 XYWKVRRSHFSNTM-UHFFFAOYSA-N 432.524 5.537 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 303129437 BPYMHWAZMSHFEO-UHFFFAOYSA-N 442.475 5.181 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](Cc1ccccc1)c1ccccc1 303373017 KOZCNAWKBYIVCN-GBXCKJPGSA-N 429.589 5.450 30 20 IKED C=CCN(C(=O)c1ccc(I)cc1)c1nc(-c2ccccc2)cs1 324383410 LYNNVRFMNQSPRD-UHFFFAOYSA-N 446.313 5.248 30 20 IKED Cc1nc(NC(=O)c2ccc3c(c2)nc(C)n3Cc2ccsc2)sc1SCC#N 409504497 YYBHEFXFMJQVDG-UHFFFAOYSA-N 439.591 5.087 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3ccc(OC)cc3)no2)nnc1-c1ccccc1OC 426510768 XEKBXLGNLWXACW-HNNXBMFYSA-N 449.536 5.052 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 430300801 HLURHGMXNMRTGQ-HXUWFJFHSA-N 430.321 5.143 30 20 IKED COc1cccc(-c2ccc(CNC(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)c1 438049830 BUPPMELAIFICFI-GOSISDBHSA-N 431.561 6.078 30 20 IKED N#CCC[C@H](NC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1)c1ccccc1 439672165 JGTJTAFQUCYWTL-SFHVURJKSA-N 430.291 5.335 30 20 IKED CCCc1c(NC(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)cnn1-c1cccc(C#N)c1 439673401 MXQXTPOAYMPVFR-XMMPIXPASA-N 443.551 5.464 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N(C)c1ccc(C#N)cc1 439929414 GTNOELHILPCFDQ-UHFFFAOYSA-N 427.888 5.250 30 20 IKED COc1cc(C(C)=O)ccc1SCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 440871176 VMDRAFDYHHDJRU-UHFFFAOYSA-N 425.554 5.034 30 20 IKED CC[C@H](C)[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(Cl)cc1 442122804 JJADVVFOPLBXBE-KPZWWZAWSA-N 437.849 5.073 30 20 IKED CC(C)(C)Cc1nc(-c2cccc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)c2)no1 442605587 DGQIYPHJXBAPKW-MRXNPFEDSA-N 428.414 5.229 30 20 IKED N#Cc1c(NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)sc2c1-c1ccccc1CC2 443884953 XJIZRQIYPGCCDV-UHFFFAOYSA-N 438.512 5.565 30 20 IKED C[C@@H](Oc1ccccc1C#N)c1nc(CC(=O)Nc2ccccc2Oc2ccccc2)no1 445320627 QCFBWNXZFLGBIZ-QGZVFWFLSA-N 440.459 5.055 30 20 IKED Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)[C@H](C)CO1 460393374 IWXXGLWXONVTTE-IBVKSMDESA-N 426.516 5.456 30 20 IKED C=CCn1c(SCc2nc3ccc(Br)cc3o2)nnc1-c1ccoc1C 460858913 CRKPXYRVMWIJOH-UHFFFAOYSA-N 431.315 5.229 30 20 IKED COc1ccc([C@@H](C)CCNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 466032731 GKURFGHYKMLDDB-SFHVURJKSA-N 442.519 5.134 30 20 IKED CC[C@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1nc(C(F)(F)F)cs1 467704118 HHFZKURLYMQQTM-RYUDHWBXSA-N 428.505 5.686 30 20 IKED CSc1nc(C2CC2)nc(C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 469086851 UQEWKCLXJFZSPT-UHFFFAOYSA-N 430.533 5.087 30 20 IKED Cc1ccc([C@H](NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)c2ccccn2)cc1 471862021 QLDNGSHZWIQXGR-JGZAQREWSA-N 440.547 5.041 30 20 IKED Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)Nc3ccc(C#N)c(C#N)c3)c12 477381896 OJHZIXLNHPLJPG-UHFFFAOYSA-N 447.376 5.213 30 20 IKED C=CCn1c(SCc2ncc(Cl)s2)nnc1-c1ccc(Br)cc1 478842160 DPQKWABAVQKKFJ-UHFFFAOYSA-N 427.780 5.296 30 20 IKED CN1Cc2cc(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)ccc2NC1=O 479005064 ZLBOWGGGXFQNJP-UHFFFAOYSA-N 432.867 5.234 30 20 IKED CN(C(=O)CCc1nc2cc(Br)ccc2s1)c1cc(Cl)ccc1C#N 479575993 HDIQMQASDYXXNI-UHFFFAOYSA-N 434.746 5.179 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N3CCCC[C@H]3c3nc4ccccc4o3)n2)c(Cl)c1 481297794 ZAZRIKCKIGNUKU-IBGZPJMESA-N 446.898 5.298 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 482814312 AOTOZZPFOWTMPB-UHFFFAOYSA-N 446.466 5.970 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2cc(Br)cs2)n1)c1nccc2ccccc12 483204200 WRXWXTGFXZDWCB-CQSZACIVSA-N 440.347 5.672 30 20 IKED C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H](CCCC#N)c1ccccc1 487221020 QNIGYZMOEJCIRV-RDTXWAMCSA-N 435.749 5.421 30 20 IKED Cc1ccc(F)c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1Br 494318503 ZVMHFSDARBIVIO-UHFFFAOYSA-N 439.284 5.600 30 20 IKED C=CCN(CCc1ccco1)C(=O)N[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C 497653225 VHGMMBZNGSZOTG-QGZVFWFLSA-N 425.554 5.221 30 20 IKED N#Cc1ccc(-n2nccc2NC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)cc1 498019334 XGDPIOSFDIXBEP-UHFFFAOYSA-N 439.422 5.139 30 20 IKED C=CCN(C(=O)c1sc2cc(Cl)ccc2c1Cl)c1nc(C(=O)OCC)cs1 501941321 BSQOJFCQPILLSG-UHFFFAOYSA-N 441.361 5.674 30 20 IKED C=CCN(Cc1cccs1)C(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)CC 504315110 SQFJAOMRZSGBDL-KRWDZBQOSA-N 426.611 5.285 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 504923156 FHRONCZZBZBGME-AEFFLSMTSA-N 437.849 5.585 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2csc(-c3cccs3)n2)cc1 505617200 CHMZGIFSKVRQCH-UHFFFAOYSA-N 447.541 5.725 30 20 IKED C=CCn1c(-c2ccccc2C)nnc1N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 508913248 OLULCBVQTKQJHQ-IBGZPJMESA-N 444.514 5.013 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4cc(C#N)ccc4OC(C)C)cc3)o2)cc1 509581122 YDYQSRPJDNVGSA-UHFFFAOYSA-N 438.487 5.623 30 20 IKED CNC(=O)c1ccc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 510006059 NUNCLGVQOBXFHU-JOCHJYFZSA-N 446.938 5.019 30 20 IKED C[C@@H](NC(=O)CNc1ccccc1Oc1ncccc1C#N)c1ccc(Cl)c(Cl)c1 511077465 AXAMGSZIWRIVAW-CQSZACIVSA-N 441.318 5.342 30 20 IKED CCOc1cc(-c2ccccc2)sc1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 512671111 URNCSDAMGWUBLX-UHFFFAOYSA-N 445.588 5.034 30 20 IKED Cc1csc(N(CC(F)(F)F)C(=O)c2cccc(OCc3ccccc3C#N)c2)n1 512826545 JQBAXIYAGQHQIW-UHFFFAOYSA-N 431.439 5.111 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2cccc3cccnc23)cc1)c1nc2ccccc2n1C(F)F 513660297 GYJDQSKGUGPFLR-FQEVSTJZSA-N 438.437 6.137 30 20 IKED C[C@H](NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1ccc(Oc2cccnc2)cc1 514170413 QQUFSPWOLRZXGO-OWAUWMPXSA-N 426.520 5.416 30 20 IKED CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 516746213 LWKLWNIDMKKJCF-UHFFFAOYSA-N 439.924 5.053 30 20 IKED N#CCCSc1ccccc1NC(=O)COc1ccc(Br)cc1Cl 518649783 RLZNVEOQNADCOW-UHFFFAOYSA-N 425.735 5.126 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 519911440 BUPFLNXILZKYJG-UHFFFAOYSA-N 440.547 5.809 30 20 IKED C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1sc(-c2ccccc2)cc1C#N 521249954 IHYQDNOQAOBQRJ-LBPRGKRZSA-N 427.869 5.254 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC(C)(C)Cc1ccc(Br)cc1 521748196 PKKOWQWURWTOSE-OAHLLOKOSA-N 446.414 5.844 30 20 IKED CCn1c([C@H]2CCCN2C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)nc2ccccc21 521971841 LYNAFIYWACGYLX-HSZRJFAPSA-N 437.503 5.092 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC2(Sc3ccccc3)CC2)cc1C 524626600 QJYPRMAOGOQYKM-UHFFFAOYSA-N 430.577 5.135 30 20 IKED COc1ccc(CNCc2cn(CCC#N)nc2-c2ccccc2)c(OC2CCCC2)c1 531356506 QQQGHNYORFNBMO-UHFFFAOYSA-N 430.552 5.084 30 20 IKED CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 531621250 UHSJUJLTWPNHNT-LJQANCHMSA-N 435.524 5.326 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC(Sc4ccc(Cl)cc4)CC3)cc2)nc1 533441823 RERJLNVOFMVXEJ-UHFFFAOYSA-N 449.963 5.796 30 20 IKED N#C[C@H](NC(=O)c1cc(-c2ccccn2)ccc1Cl)c1ccc(Br)cc1 534359587 RVFTVECRLUFEPB-IBGZPJMESA-N 426.701 5.159 30 20 IKED Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)Nc1ccccc1SC[C@@H](C)C#N 535971174 YSWCEGPEWXOPLM-HKUYNNGSSA-N 433.581 5.293 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1ccc(-c2cccnc2)cc1 537125321 JFIXYAAXDOTMCW-RTBURBONSA-N 430.577 5.290 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1ccc(Cl)cc1)C1CCC1 538208396 RNBFVCFRZHTFAK-MWTRTKDXSA-N 428.001 5.804 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccccc1)CC(C)(C)O 539452349 CDLWRWHLNHOXIW-UHFFFAOYSA-N 443.547 5.251 30 20 IKED COc1cc(CN2CC(c3nc4ccccc4s3)C2)ccc1OCc1cccc(C#N)c1 540237745 NJEYMWRETXMJMQ-UHFFFAOYSA-N 441.556 5.355 30 20 IKED COc1ccc(C(=O)CC(C)(C)CC(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1 545379199 ZLMZQINVQNOLJZ-LJQANCHMSA-N 432.442 5.084 30 20 IKED C=CCNC(=O)c1cccc(-c2noc(C34C[C@@H]5C[C@H](C3)CC(C(F)(F)F)(C5)C4)n2)c1 545651139 QZQNUAQSJYMYGU-BXBLUCELSA-N 431.458 5.053 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)C(F)(F)F 548183807 OZOVLMRGMBBDHS-LHSJRXKWSA-N 441.457 5.025 30 20 IKED Cc1cn(-c2ccc(F)cc2)nc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 549412035 HQTFBKWEOFLJME-HNNXBMFYSA-N 438.434 5.212 30 20 IKED Cc1cc(Br)c(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1Cl 553289683 GGJQLEMFXOONCO-OAHLLOKOSA-N 431.639 5.424 30 20 IKED C=CCn1c(SCC(=O)Nc2nc(C(C)(C)C)cs2)nnc1-c1ccc(Cl)cc1 553918197 XRLDAYZJSYADDD-UHFFFAOYSA-N 448.017 5.269 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1N1CCC[C@H]1c1nc2ccccc2s1 554929665 CVWKRHIPRRZLQV-SFHVURJKSA-N 435.528 5.133 30 20 IKED Cc1ccc(Cc2ccccn2)cc1NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 555035761 FKPUVASYRUCGMR-UHFFFAOYSA-N 440.547 5.364 30 20 IKED C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(OC(C)C)CC1 555264674 BCUNLIPQTGQMPH-UHFFFAOYSA-N 439.387 5.134 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC[C@@H]1c1cccc(Br)c1 582864085 TYCZZAJBGLSNFH-HSZRJFAPSA-N 446.348 5.613 30 20 IKED CCOc1ccccc1Oc1ccc(CNCc2ccc(C#N)cc2C(F)(F)F)cn1 584261575 LEZMHBNRZFGKRP-UHFFFAOYSA-N 427.426 5.453 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1nc2cc(F)ccc2s1 592975535 IMATZZLCEITSJY-ZDUSSCGKSA-N 431.279 5.418 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1 592975702 KSOVPCJOYVZBHZ-HXUWFJFHSA-N 427.460 5.376 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C 603526950 BRUMVYNPWCXXJT-UHFFFAOYSA-N 437.547 5.602 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3OCc3cscn3)cn2)cc1 603764527 KMZWRQMSYCOEMQ-UHFFFAOYSA-N 428.473 5.033 30 20 IKED Cc1noc(-c2ccc(C)c(NC(=O)c3ccccc3Sc3ccccc3C#N)c2)n1 603827324 YYBDVPOKRVLHCV-UHFFFAOYSA-N 426.501 5.629 30 20 IKED N#Cc1cccnc1Oc1ccccc1NCc1nc(O)c2ccc(C(F)(F)F)cc2n1 604007566 BPHNCJZPXHKCOO-UHFFFAOYSA-N 437.381 5.025 30 20 IKED CCC(CC)n1c(COc2ccccc2Cl)nnc1S[C@H](C#N)Cc1ccccc1 604018277 ZFHZNRUBAGFKRO-IBGZPJMESA-N 441.000 6.099 30 20 IKED O=C(CSc1cccc(C(F)(F)F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 604961941 JBGQJPFEZMHHSM-UHFFFAOYSA-N 425.316 5.141 30 20 IKED N#C[C@H](C(=O)c1cccc(Oc2nccs2)c1)c1nc(-c2ccc(Cl)cc2)cs1 606147100 SYMQWNPYJVKIAY-QGZVFWFLSA-N 437.933 6.202 30 20 IKED CCOc1cc2c(cc1OCC)CN(C(=O)Nc1ccccc1S[C@H](C)CC#N)CC2 609435112 QEFCVZDJFMSSNJ-QGZVFWFLSA-N 439.581 5.468 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)c2cnc3ccccc3c2C(F)(F)F)CC1 609508639 VHUDDQXOGFLMNC-UHFFFAOYSA-N 439.437 5.245 30 20 IKED CCN(C(=O)CC1(CC(=O)Nc2nccs2)CCCCC1)[C@H](C)c1ccc(C#N)cc1 609516434 JDVOALCCSYDMBS-GOSISDBHSA-N 438.597 5.294 30 20 IKED N#C[C@@H](NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)c1ccc(F)cc1 609600583 MLVAJJVWZDXEGZ-GOSISDBHSA-N 433.533 5.601 30 20 IKED C[C@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)c1cccc(C#N)c1 610318361 XAIURQVLAXDRIA-ZDUSSCGKSA-N 442.397 5.305 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1 610598165 VQYDRTGUVSZPSQ-HOTGVXAUSA-N 444.400 5.522 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(Cl)cc3Br)cn2)cc1 610753883 QJTRGUIKVNDATJ-UHFFFAOYSA-N 428.673 5.414 30 20 IKED N#CCn1c(-c2nc(Cc3nc4cc(C(F)(F)F)ccc4s3)no2)cc2ccccc21 612881676 BTBSSKATJYCTOT-UHFFFAOYSA-N 439.422 5.434 30 20 IKED COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1Br 613315599 QGQMDAKKNXLWCA-HNNXBMFYSA-N 427.323 5.380 30 20 IKED Cc1c(S(=O)(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)oc2ccc(F)cc12 675452694 NXEAKCBRKRXYRU-IAZYJMLFSA-N 447.372 5.068 30 20 IKED O=C(N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1(c2ccc(F)cc2F)CCCC1 677660764 YIRYQCVZXSXHKJ-RYUDHWBXSA-N 429.351 5.366 30 20 IKED COc1ccc(C(=O)c2ccccc2C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1 679980887 ZDMDSXUHXWQDRX-IBGZPJMESA-N 430.460 5.165 30 20 IKED C=CCC[C@H](NC(=O)N1CC[C@@]2(C1)C(=O)Nc1ccccc12)c1ccc(C(F)(F)F)cc1 681657389 DIGSCNGVCDOAIX-CVDCTZTESA-N 443.469 5.018 30 20 IKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CCC2)c1 730462537 NYIGAPBYDMROIR-NRFANRHFSA-N 439.556 5.264 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)OCc3csc(-c4ccccc4F)n3)cc2)nc1 732402441 RBAXIYKDFAWQLQ-UHFFFAOYSA-N 431.448 5.365 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)/C=C\c2cccc(OC3CCCC3)c2)ccc1OC 733232701 XXWAEPVYYHYRJK-KXXOPMGUSA-N 434.536 5.027 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(-c3ccc(F)cc3)cc2F)ccc1OC 733232812 YROLULAKKRVHEF-HXUWFJFHSA-N 436.458 5.251 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2SC(F)(F)F)ccc1OC 733623462 CSAYERIPMRRDEF-CQSZACIVSA-N 439.459 5.310 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)c1 733771805 VDMLEVKUSSKMGF-HXUWFJFHSA-N 427.529 5.320 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)c1 733845316 BMOSQBVWJRVIOP-OAHLLOKOSA-N 441.837 5.284 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1cc(-c2ccccc2)on1 736015424 JVILZEBBCFASNS-UHFFFAOYSA-N 431.439 5.547 30 20 IKED COCc1cccc(/C=C(\C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)c1 742432126 SWAKRJDTIFPFOP-JCMHNJIXSA-N 433.935 6.008 30 20 IKED CC(C)Sc1c(Cl)cccc1NC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 743184391 JEUWGVYIEZKZMF-UHFFFAOYSA-N 444.988 5.317 30 20 IKED C#CCCN1CCC(NC(=O)[C@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)CC1 743491712 LVGYTNJUTIYNIZ-JOCHJYFZSA-N 447.431 5.431 30 20 IKED C#CCN(Cc1ccc(F)cc1)C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 743679004 FHKOYCXGEFGVNC-DEOSSOPVSA-N 448.925 5.002 30 20 IKED CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)NCc1cc(C#N)ccc1F 745892964 KSXNJRBRCDZZGW-UHFFFAOYSA-N 425.504 5.685 30 20 IKED COc1cc(C(C)=NNc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)ccc1SC 747610601 MTKPMGJMKVNEJP-UHFFFAOYSA-N 440.590 5.394 30 20 IKED O=C(O)Cc1ccc(C(=O)/C=C/c2cnc(-c3ccc(Br)cc3)s2)cc1 751521475 GBXNAXFWNKZKLX-MDZDMXLPSA-N 428.307 5.096 30 20 IKED CCOc1ccc([C@H](NC(=O)NCc2ccc(OCC#N)cc2)c2cccc(Cl)c2)cc1 752159720 HZVZFOCGUTXOIQ-DEOSSOPVSA-N 449.938 5.230 30 20 IKED CC(=O)Nc1ccc(C(C)=NOCc2ncc(-c3ccc(Br)cc3)o2)cc1 754277363 ZHCCROAJQLDPKK-UHFFFAOYSA-N 428.286 5.003 30 20 IKED N#Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2Br)sc2c1CCCCCC2 758101790 UFJVJJUEUSSBBO-UHFFFAOYSA-N 434.315 5.202 30 20 IKED Cc1ccc(Sc2ccc(C(=O)Nc3ccc(F)cc3OCC#N)cc2[N+](=O)[O-])cc1 760792327 NJYKUPQBDJRXSL-UHFFFAOYSA-N 437.452 5.348 30 20 IKED N#CCOc1ccccc1C(=O)Nc1c(Oc2ccc(Cl)cc2)ccc2ncccc12 764531242 BOBWCWICNNQAIV-UHFFFAOYSA-N 429.863 5.835 30 20 IKED CO[C@@H](C)c1nc(C)c(C(=O)OCc2c(F)c(F)c(C(F)(F)F)c(F)c2F)s1 764903498 OJTOVYVFKBXDBA-LURJTMIESA-N 431.329 5.091 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC[C@H](c2c(F)cccc2F)C1 769489468 BULTUXREUQAZSD-WUHRBBMRSA-N 444.366 5.373 30 20 IKED C#CC[C@@H](NCc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1)c1ccccc1 775398991 DBCFZRSJVRVXPP-OAQYLSRUSA-N 444.387 5.989 30 20 IKED COc1ccc([C@@H](Cc2ccccc2C)N[C@H](C)c2ccc(OCC#N)cc2)cc1OC 776161420 WJBDXYBVWODDAM-CJFMBICVSA-N 430.548 5.549 30 20 IKED Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2ccccc2O[C@H](C)C#N)c1 780150855 WUTRFTIHAIPRTN-GOSISDBHSA-N 440.478 5.530 30 20 IKED Cc1c(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)cnn1C(C)(C)C 787186939 QBXXKOXJVDFPQG-OUKQBFOZSA-N 425.536 5.149 30 20 IKED CCCCOc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(C)cc2)cc1 789404005 ZFFKCDXJMOYVTD-UHFFFAOYSA-O 444.580 5.656 30 20 IKED C[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)NC(=O)OC(C)(C)C 791769663 UVKIUKLSKIJVPY-BEFAXECRSA-N 442.947 5.030 30 20 IKED N#C[C@@H](C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)c1cnc2ccccc2n1 792109244 HBNVLRPXESOSSO-OAQYLSRUSA-N 434.474 5.726 30 20 IKED COC(=O)c1csc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)c1 794723284 DBXZRCDMGLXJTI-VMPITWQZSA-N 446.937 5.225 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2[C@H]3CC[C@H]2CC(Cc2ccccc2)C3)c1=S 795691151 CGWJLBNBIULWAT-GOTSBHOMSA-N 431.609 5.105 30 20 IKED Cc1cc(F)cc2c1CN(C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)CC2 800700725 PLIZMOYIFPIJBH-NHAGDIPZSA-N 426.376 5.111 30 20 IKED C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@@H](C(C)(C)C)c2ccccc21 809920776 CKUHPNKZIHARPC-OAQYLSRUSA-N 445.567 5.172 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Oc1ccccc1-c1nc2ccccc2s1 914838032 JROKPIJLQYBFEW-UHFFFAOYSA-N 430.533 5.229 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2cccs2)n1)c1nc2cc(C(F)(F)F)ccc2s1 915103807 FVNNCIILSLIGGD-LBPRGKRZSA-N 449.504 5.919 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(N[C@@H](C(=O)NCc2ccccc2)c2ccccc2)cc1 915223672 UQMQCTKOGATBDY-WUFINQPMSA-N 431.539 5.812 30 20 IKED COc1ccc(-c2csc3ncnc(NN=C(C)c4cccc(NC(C)=O)c4)c23)cc1 916357137 AWYBNIHZRIDPQG-UHFFFAOYSA-N 431.521 5.161 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)c(C)n1[C@H](C)c1ccccc1 916918402 ORYYISZIAAUBLI-CLOONOSVSA-N 435.527 5.829 30 20 IKED CCCCc1oc2ccccc2c1/C=C\C(=O)[C@H](C#N)C(=O)Nc1ccccc1OCC 916926311 XOCDKKDEQNQRIF-IBIZNAIESA-N 430.504 5.535 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ncc(-c3ccc(C)cc3)o2)cc1 916955226 NOMODXPCOUCLKI-GCJKJVERSA-N 429.520 5.444 30 20 IKED FC(F)n1c(=S)n(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c2ccccc21 918733586 QQDDAFINTAYXLX-UWVGGRQHSA-N 433.368 5.588 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5cnccc5c4)CCC3)cc2)cc1 1790290460 ZFTVCOGCNBPRFA-UHFFFAOYSA-N 446.510 5.168 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C(C)=C/c2ccc(C)o2)[C@@H]1c1cccnc1 1810497587 FAPFUYBSIZPZCY-HZHAZRMUSA-N 449.595 5.085 30 20 IKED C=CCSCC(=O)N1CC[C@H](CNC(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1 1812805687 SJZMTWULDVCFSE-ZJSXRUAMSA-N 445.673 5.003 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2F)[nH]n1 1814823729 FRNKIUFVXWZHKA-HXUWFJFHSA-N 444.938 5.277 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C(C)(C)C)oc2C)n[nH]1 1816464063 CLEKUUHJJZBYDB-KRWDZBQOSA-N 448.514 5.126 30 20 IKED CC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CC#N)n[nH]2)cc(C(C)(C)C)c1 1816747273 XTEPEHIOCOBUFI-OAQYLSRUSA-N 449.599 5.224 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cccnc3s2)[nH]n1 1819305334 IDBUUPACOHYSIK-HKUYNNGSSA-N 449.580 5.094 30 20 IKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C34CCC(CC3)CC4)CC2)c1 1830770964 NZIIMIRYKMFXQK-ZUYJMMGOSA-N 447.623 5.070 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2onc3ccccc23)CC1 1830919886 BCGBGRCUIFYHBU-QFIPXVFZSA-N 437.584 5.054 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 1831376036 IKGBHJAQMLQGQL-AUSIDOKSSA-N 443.031 5.204 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)Nc1cccc(C)c1C 10167911 JEPIAIVEQNLMHM-UHFFFAOYSA-O 431.625 6.130 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)c(F)c1)=C(/S)Nc1ccc(C)c(C)c1 11161169 KDECRWYTCSTWSX-UHFFFAOYSA-O 425.524 5.482 30 20 IKED CCCN/C(S)=C(/C(=O)c1cc(C)c(C)cc1C)[n+]1ccc(Cc2ccccc2)cc1 22804765 KYAVSHJQHHZDTE-UHFFFAOYSA-O 431.625 5.429 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(NC3CCCCC3)s2)cc1 23393041 LBQIOIMRGYAEJD-MRXNPFEDSA-N 429.615 5.019 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1ccco1 28503988 VOPZXNJMZHUBPV-GOSISDBHSA-N 444.560 5.434 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(COCc3ccco3)c2)o1 108284866 YKNOSIQPJGFVCY-UHFFFAOYSA-N 428.444 5.292 30 20 IKED C=CCn1c(SCC(=O)N(Cc2ccco2)c2ccccc2)nnc1-c1ccccc1F 216612276 FMYGCRXLRSLVNW-UHFFFAOYSA-N 448.523 5.189 30 20 IKED C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 302928226 FDZVCFNUUAWHKD-GFCCVEGCSA-N 432.332 5.318 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(Cl)c(N3CCNC3=O)c2)cc1 410156413 XTMUDSVBZYKTNU-UHFFFAOYSA-N 446.894 5.094 30 20 IKED C[C@H](Nc1ccc(NC(=O)CCCC(=O)Nc2ccccc2C#N)cc1)c1ccccc1 432499885 JMLQXGYAEYGHST-IBGZPJMESA-N 426.520 5.479 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@@H](c1ccccc1)c1ncc[nH]1 432771622 YBNYAZWBDXNKDP-DEOSSOPVSA-N 437.503 5.635 30 20 IKED N#CCc1ccc(C(=O)Nc2c(-c3ccccc3)nc3ccc(Br)cn23)cc1 432968063 UPBYNIISNUJRQI-UHFFFAOYSA-N 431.293 5.082 30 20 IKED O=C(Nc1cccc(-c2noc(C(F)(F)F)n2)c1)N[C@@H](c1cc(F)ccc1F)C(F)F 433822252 RSVRUQOPBIUALT-ZDUSSCGKSA-N 448.298 5.162 30 20 IKED COc1ccc([C@H](CO)N(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 434219429 DHKLUOFAVLLWNE-VWNXMTODSA-N 449.938 5.201 30 20 IKED CC[C@@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 435595326 BNGKIVVZHDQUML-XMMPIXPASA-N 443.547 5.251 30 20 IKED Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 437503120 RBTOFLBWCOQCGO-UHFFFAOYSA-N 427.435 5.634 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(O)c(C)c2)nnc1-c1ccc(Cl)cc1Cl 439274346 LVMWYSSGLBQLKR-UHFFFAOYSA-N 449.363 5.183 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1 439572787 QMUJTJIOEKDZDR-DPLHUUCSSA-N 449.595 5.538 30 20 IKED CCCc1c(NC(=O)N2CCC[C@H]2c2ccc(OCC)cc2)cnn1-c1cccc(C#N)c1 439673400 MXQXTPOAYMPVFR-DEOSSOPVSA-N 443.551 5.464 30 20 IKED N#CCC[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccccc1 439673675 NNEFXUZGJVKPDN-RXVVDRJESA-N 444.362 5.007 30 20 IKED CCc1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1C 442375539 FIHDZXUXYXRYLA-QFIPXVFZSA-N 431.923 5.444 30 20 IKED O=C(Nc1cc(F)cc(F)c1Br)N1CCC(C(F)(F)F)(C(F)(F)F)C1 443515589 AEVNLZJLOIODAP-UHFFFAOYSA-N 441.116 5.076 30 20 IKED CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2cn(CCCC#N)c3ccccc23)cc1 444030061 JLEIOUTUCKEVPT-IBGZPJMESA-N 445.567 5.310 30 20 IKED CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(OCc2ccccc2)cc1 444466265 WLMUKVSZMRYCHI-UHFFFAOYSA-N 435.483 5.601 30 20 IKED CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@](C)(C#N)CCc2ccccc2)c1 461096763 VNGMPSKDPNGXOS-XMMPIXPASA-N 425.960 5.360 30 20 IKED COc1ccc(Cl)cc1NC(=O)CNc1ccc(Oc2ccccc2C#N)c(F)c1 463237510 WBBOUYNFHWFCEX-UHFFFAOYSA-N 425.847 5.202 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(F)c(Br)c2)cc1 463296464 UYOUTRCWGQFUAV-UHFFFAOYSA-N 439.284 5.486 30 20 IKED CCO[C@@H](C)c1ncc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1 463397520 ZUSWFCHOCWEGSV-KBXCAEBGSA-N 425.941 5.802 30 20 IKED C[C@H](C(=O)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21)c1cccc(C#N)c1 464274748 WHKUUPKRCQQEJY-KRWDZBQOSA-N 427.479 5.033 30 20 IKED COCc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)o1 467155321 NQIITTLKUWOLJZ-QHCPKHFHSA-N 431.492 5.767 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 468966082 KZSYCAXEGKIEJU-QGZVFWFLSA-N 430.577 5.875 30 20 IKED COc1cc(Br)ccc1[C@H](C)NC(=O)Nc1ccccc1SC[C@@H](C)C#N 470364214 SCTTXQHDZDWZIM-KBPBESRZSA-N 448.386 5.592 30 20 IKED CC[C@H]1CN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC[C@@H]1c1ccccc1 470547615 FLIICDDPZPJPDP-RDPSFJRHSA-N 444.579 5.317 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)n1 473929885 WRFDYYHFNXXMBA-OAHLLOKOSA-N 444.871 5.395 30 20 IKED C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(F)c(F)c1 477668817 PLOBJIVCPRUHGS-MRXNPFEDSA-N 432.776 5.009 30 20 IKED N#CCCCOc1cccnc1NC(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 480012639 AOGXCNHDIKGNIR-GOTSBHOMSA-N 427.504 5.085 30 20 IKED C[C@H](c1c(F)cccc1F)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481657722 MQHRVQBWDLZDDU-OAHLLOKOSA-N 439.437 5.779 30 20 IKED C[C@@H](O)[C@@](C)(CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)Cc1ccccc1 482191711 HVRYCTPDJWQJAW-NFQMXDRXSA-N 444.600 5.210 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N3CCC(c4c(F)cccc4F)CC3)n2)c(Cl)c1 486548581 MHNCTPMNWBWHFF-UHFFFAOYSA-N 441.869 5.087 30 20 IKED CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1SC[C@H](C)C#N 487508654 LKPLBQLZHCILQS-OAHLLOKOSA-N 429.567 5.847 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 494067768 BRWZZAOSUNFFQM-DLBZAZTESA-N 440.638 5.828 30 20 IKED Cc1nncn1-c1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 497428994 GJEMDTZGEMAKQF-UHFFFAOYSA-N 429.867 5.145 30 20 IKED COc1cc(C(=O)N(CC#N)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 497896282 QIBCPHJBAXUPNK-UHFFFAOYSA-N 441.314 5.751 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCc2csc3ccccc23)cc1C 501841861 MESCUBGGOLBPKU-UHFFFAOYSA-N 428.561 5.268 30 20 IKED CC(=O)N1CCCc2cc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)ccc21 502013963 BMHYCBWUUUETDW-UHFFFAOYSA-N 441.556 5.402 30 20 IKED Cc1nc(CSc2ccc(C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)cc2)cs1 502454620 OEEOSZSVGUKEJL-UHFFFAOYSA-N 448.598 5.991 30 20 IKED N#C[C@@H](C(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(C(F)(F)F)cn1 502674204 CTWOKSXNNHBTLZ-MRXNPFEDSA-N 438.434 5.505 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)n1 505684292 VYEKAZGKVQSKNY-LJQANCHMSA-N 441.512 5.334 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2C(=O)c2cccs2)cc1 508141856 IAAAENIAFMRMMZ-UHFFFAOYSA-N 430.529 5.046 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F 509278416 GWPFEMZCGSGFGE-OWCLPIDISA-N 435.339 5.638 30 20 IKED Cc1cccc(C)c1Oc1ccccc1NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 509735645 OBLQYJNIOUYPJM-UHFFFAOYSA-N 439.519 5.198 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H]3CCC[C@@H](C(F)(F)F)C3)c2)c1 511474798 JSURZADTXIQFJY-APWZRJJASA-N 430.430 5.053 30 20 IKED Cc1ccc(NC(=O)CSCC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1 515628378 OPXCYBPDFXPMNK-UHFFFAOYSA-N 447.585 5.004 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 518147377 AKQMZGJAWIVBQT-SFHVURJKSA-N 447.526 5.562 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3oc(C(C)C)nc3c2)cc1C 518913158 VUYZQFWRBQYRKH-UHFFFAOYSA-N 427.508 5.598 30 20 IKED COCCOc1cc(C)ccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 522636066 KUEGIRHKPWRJPV-UHFFFAOYSA-N 436.895 5.590 30 20 IKED N#CCc1ccnc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@H](F)C(F)(F)F)(C4)C3)c1 531924600 LJMWHUJRIOTAIH-PHUAEJTRSA-N 445.407 5.208 30 20 IKED CC(C)N(CCc1nccs1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 532820735 XYJFKCGMHRANLT-UHFFFAOYSA-N 438.528 5.218 30 20 IKED Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)Nc1ccccc1S[C@@H](C)CC#N 533767731 NBPDXXDQHCWETB-PKOBYXMFSA-N 433.581 5.436 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)cc1 536815081 HGVOXGQTAPLGAA-ZEQKJWHPSA-N 441.531 5.231 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)C2(c3cccc(Cl)c3)CCOCC2)cc1 537998266 SZUSYMCOIGGZCK-UHFFFAOYSA-N 430.935 5.243 30 20 IKED C[C@H](NCc1ccc(NC(=O)CCCOc2ccccc2)cc1)c1ccc(C#N)c(F)c1 538507951 NYWCATNNCHTKAK-IBGZPJMESA-N 431.511 5.346 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(Br)cc1C(F)(F)F 539541090 BDVJEPBIOHMTIR-NSHDSACASA-N 443.288 5.972 30 20 IKED Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 539889509 COQKGMNEIHEJIM-UHFFFAOYSA-N 445.588 5.333 30 20 IKED N#CCC1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccccc2Cl)CC3)CC1 541982200 GQSDKECTONPBTC-LVZFUZTISA-N 441.962 6.141 30 20 IKED COc1cccc([C@H](CNc2cc(C(C)=O)ccc2C#N)c2c[nH]c3ccccc23)c1OC 542506514 MBSBMPQNQOUSOS-QHCPKHFHSA-N 439.515 5.503 30 20 IKED C=C(C)Cn1c(SCc2nc([C@H](C)c3c(F)cccc3F)no2)nnc1-c1ccco1 547134423 DJIXSBVBAXAGAG-CYBMUJFWSA-N 443.479 5.220 30 20 IKED COc1cc(CN2CCC(C#N)(c3ccccn3)CC2)ccc1OCc1ccc(Cl)cc1 548791761 JHCFEBOTJJMXHZ-UHFFFAOYSA-N 447.966 5.380 30 20 IKED CC(C)(C)n1ncnc1CN[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 548915698 HWSDTZNXXAYRNX-CYBMUJFWSA-N 448.333 5.464 30 20 IKED C=CC[C@H]1N(C(=O)Nc2nnn(Cc3ccc(C(F)(F)F)cc3)c2C)CCCC1(C)C 549317304 WIOLYXPCWQPDAH-GOSISDBHSA-N 435.494 5.252 30 20 IKED CC(C)(C(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1)c1cc(F)cc(C#N)c1 552537976 ARKRZBMRPBTHBJ-UHFFFAOYSA-N 445.281 5.503 30 20 IKED Cc1ccc(-c2ncc[nH]2)cc1NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 553540524 DYXISMWZZMEBBW-UHFFFAOYSA-N 433.943 5.155 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1 554389640 SHNDQVNKEWOCFL-QFIPXVFZSA-N 431.458 5.030 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 558512865 YNYXWETXMMEPSH-UHFFFAOYSA-N 425.492 5.307 30 20 IKED N#Cc1ccc(NC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1Br 562290126 ROZRVWKUAFPGAC-AWEZNQCLSA-N 441.354 5.342 30 20 IKED COc1ccc(-c2ocnc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1 564108022 AFGYYDAQMVPIMF-UHFFFAOYSA-N 425.444 5.053 30 20 IKED C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 571246985 JOXLULVHALPPLH-CVEARBPZSA-N 448.958 5.062 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)CC1 573625757 FPSOGFLCZWNSQN-UHFFFAOYSA-N 425.410 5.058 30 20 IKED N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1c(Cl)cccc1Cl 580636098 QDZRKUYYOHWFEW-XUJVJEKNSA-N 429.225 5.377 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)cc1 582087332 FPXFWKDIFRIVRM-QFIPXVFZSA-N 442.519 5.677 30 20 IKED N#Cc1cccc(C(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)n1 589455303 OZUFUSBLSCRNQT-UHFFFAOYSA-N 430.851 5.093 30 20 IKED CC(C)(C(=O)N[C@H]1CCc2cc(C#N)ccc21)c1csc(-c2c(F)cccc2Cl)n1 589504314 OOEVQSLKNDSYHB-SFHVURJKSA-N 439.943 5.556 30 20 IKED CC(C)(C(=O)NCc1ccc(C#N)c(Cl)c1)c1csc(-c2c(F)cccc2F)n1 590365264 XIYMKNMZPRWIMK-UHFFFAOYSA-N 431.895 5.207 30 20 IKED Cc1cccc(-n2ncc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c2C(F)(F)F)c1 592974101 NTOLIRXBUFWEJR-CQSZACIVSA-N 444.413 5.438 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cc3c(C(F)(F)F)cc(O)nc3o2)cc1 604344042 XOQWRBXIAFCRJU-UHFFFAOYSA-N 439.349 5.468 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 606831412 ADPBZGWHOMQXKS-UHFFFAOYSA-N 441.409 5.170 30 20 IKED N#C[C@@H](NC(=O)c1cc(F)c(Cl)cc1Cl)c1ccc(OCc2ccccc2)cc1 609028525 BCSVATAWAMBUTH-OAQYLSRUSA-N 429.278 5.706 30 20 IKED CCOc1cccc([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 609078392 NMFAPNXIEHHPHP-LJQANCHMSA-N 429.520 5.727 30 20 IKED CCOC(=O)c1sc(N(C(=O)c2cc3ccccc3n2CC#N)c2ccccc2)nc1C 609216617 NQBBNPCELANFPQ-UHFFFAOYSA-N 444.516 5.085 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC[C@H]3CCCN(Cc4ccccc4)C3)cc2)cc1 609516478 XFXVQDALVJSUEB-XMMPIXPASA-N 439.559 5.187 30 20 IKED Cc1cc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)ccc1OC1CCOCC1 609980547 OSRULMRBMQWILO-UHFFFAOYSA-N 428.488 5.469 30 20 IKED C[C@H](NC(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1cccc(C#N)c1 610405134 XMENONMLXIWCSX-HNNXBMFYSA-N 440.425 5.325 30 20 IKED N#CCCSc1ccccc1NC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 610434254 IJDSJOFBMGLLNC-UHFFFAOYSA-N 433.480 6.087 30 20 IKED N#CCCN(CC(F)(F)F)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12 610503854 VGCBNYYAFFUMMN-UHFFFAOYSA-N 435.396 5.350 30 20 IKED Cc1nc(-c2ccccc2)c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1 613404434 NGLIBWZZCAICLS-CQSZACIVSA-N 443.475 6.237 30 20 IKED Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2cccs2)c1C 619855095 PRELSQVGGSUFDO-NTKDMRAZSA-N 435.597 5.275 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1NC(=O)c1ccco1 642282367 IJWZPAYPAVEDSV-OAHLLOKOSA-N 434.402 5.075 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(F)c1Br 644890256 AEPNHVSMFLEXIS-YUMQZZPRSA-N 436.165 5.228 30 20 IKED O=C(NC1CCC(F)(F)CC1)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 677778926 UIFUBEIYFFHGNQ-UHFFFAOYSA-N 441.322 5.218 30 20 IKED CC(=NNc1nc2ccccc2c(=O)n1CCCOC(C)C)C12CC3CC(CC(C3)C1)C2 725842883 LZQYJSFVNUZLNO-UHFFFAOYSA-N 436.600 5.216 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ccc(SC(C)(C)C)cc1C 726292104 TVPFEGJTOMVLRZ-UHFFFAOYSA-N 426.582 5.048 30 20 IKED CCCOc1c(Cl)cc(/C=C\C(=O)c2ccc(OC)c(NC(C)=O)c2)cc1OCC 726430394 YOWTUVOELLNGAY-CLFYSBASSA-N 431.916 5.391 30 20 IKED C[C@H](Oc1ccccc1C(F)(F)F)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 727233200 IZZGNHSMYXLLBE-JQWIXIFHSA-N 445.224 5.127 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(N4CCCCC4)c(Cl)c3)CC2)cc1 729037924 DLEZIOUZPKUJFV-UHFFFAOYSA-N 438.959 5.277 30 20 IKED C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 729616677 VDTKPTCZCDMHBC-NRFANRHFSA-N 437.515 5.311 30 20 IKED O=C(C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(C2CCC2)C1=O)Nc1ccccc1 730459485 JVJDKBJHTSGPDH-GOSISDBHSA-N 447.482 5.218 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@H](C)Sc1ccccc1Cl 731074503 OGRASJQENAXHEE-HUUCEWRRSA-N 448.997 5.254 30 20 IKED C=CCN1C(=O)N[C@H](c2ccc(CC)s2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 731176620 CHBJBXOEOMZHQR-LJQANCHMSA-N 449.498 5.494 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 731332210 GOFJTZXCERKEED-QMMMGPOBSA-N 435.163 6.342 30 20 IKED CC(=O)C1=C(c2ccc(C)cc2)N(Cc2ccc(C(=O)O)cc2)C(=O)N[C@H]1c1ccsc1 731471404 SNIXPCHWTVUCMI-QFIPXVFZSA-N 446.528 5.022 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3COc3cccc(C=O)c3)cn2)c1 731606619 AJOAGOUURPMMRW-UHFFFAOYSA-N 449.466 5.389 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2ccc(Oc3ccccc3)c(F)c2)c1 733802746 AUZANWSNPXZDJR-WIYYLYMNSA-N 447.510 5.859 30 20 IKED Cc1ccc(-c2csc3ncnc(NN=C(c4c(C)nn(C)c4C)C(F)(F)F)c23)cc1 733906900 KBMJERPMQJTIPW-UHFFFAOYSA-N 444.486 5.396 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)cc1 741059512 SQYAMLWIMSGUHE-NQIIRXRSSA-N 440.330 5.504 30 20 IKED Cc1ccc2cccc(C(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)c2n1 741384408 ANGGHVKXSUBXJZ-UHFFFAOYSA-N 444.535 5.134 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cc1 744040789 BVHFWUNCVHUHBC-UHFFFAOYSA-N 435.527 5.638 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(CCc2ccc(C)cc2)Cc2ccco2)c1 745820193 IHZNLLAOPWMXHF-QHCPKHFHSA-N 431.536 5.224 30 20 IKED CCn1nc(C)cc1C(=O)N1C[C@@H](c2ccc([N+](=O)[O-])cc2)SC1=Nc1ccccc1C 751061192 CIBDPBMNAXVGHM-NRFANRHFSA-N 449.536 5.046 30 20 IKED Cn1cc(CCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2ccccc21 756244950 WFCPNDRQUWUTLR-MRXNPFEDSA-N 427.451 5.616 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl 760021386 PRTVYDUQYJHSSJ-SFHVURJKSA-N 429.952 5.140 30 20 IKED N#CCc1ccccc1CC(=O)C(c1nc2ccccc2s1)c1nc2ccccc2s1 761100675 QQUWEUSPMIWGIN-UHFFFAOYSA-N 439.565 5.916 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(-c3ccccc3OC)cc2)ccc1OCCC(=O)O 763372910 GNUMDSRHHWWFKB-QPEQYQDCSA-N 432.472 5.120 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN(C)Cc2ccc(N3CCCCC3)cc2)c1=S 764865882 SMNGOLTYNZDTMC-UHFFFAOYSA-N 448.640 5.132 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCCC[C@@H]2c2cccc(Cl)c2)ccc1OC 770613202 WBCQYBAYPXDBEX-LEWJYISDSA-N 441.959 5.466 30 20 IKED COCCOc1c(Cl)cc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1Cl 773174248 KKBKKNXVHKOHPA-UHFFFAOYSA-N 430.744 5.353 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCN(C(=O)OC(C)(C)C)C(C)C)n2)cc1 777298975 WSOHYHOHRDSMAK-GOSISDBHSA-N 443.569 5.031 30 20 IKED CC(C)(C)c1nnc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1 783014099 RZVYEDPHFDEICR-GFCCVEGCSA-N 449.317 5.798 30 20 IKED COc1cccc(C(=O)/C(=C\c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c2ncc[nH]2)c1 787167373 DBHZSKCBSKUKAL-DEDYPNTBSA-N 445.431 5.019 30 20 IKED N#CCCn1cc(/C=C\C(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(-c2ccncc2)n1 788353605 HXWPLRRLBLVUOA-HYXAFXHYSA-N 430.817 5.427 30 20 IKED COc1ncc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1Cl 789157177 KJNMIDLVCVOZIG-TWGQIWQCSA-N 427.913 5.089 30 20 IKED N#CCSc1ccccc1C(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 790213129 SUBSJCJEVPLXBP-UHFFFAOYSA-N 431.304 5.444 30 20 IKED CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 796756374 LMADZZSWLXSBKB-IUODEOHRSA-N 441.475 5.041 30 20 IKED COc1ccc(C(=O)C[C@H](C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 796809433 AJBVGLHVWYMSSH-BLLLJJGKSA-N 446.450 5.409 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cc(C(F)(F)F)ccc1Br 797356910 KRDKKCFGVRGJDU-UHFFFAOYSA-N 438.203 5.284 30 20 IKED CC(=O)N[C@@H](CC(=O)OCCC(C#N)(c1ccccc1)c1ccccc1)c1ccc(C)cc1 914886973 RUNMAFPGHZKSEW-SANMLTNESA-N 440.543 5.006 30 20 IKED N#C[C@@H](C(=O)CCc1nnc(-c2ccsc2)o1)c1nc(-c2ccc(Cl)cc2)cs1 915101841 MZBRGNIQUXFABG-HNNXBMFYSA-N 440.937 5.384 30 20 IKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1 915102578 YHTLTMUUVRPVPI-QFBILLFUSA-N 435.574 5.055 30 20 IKED N#C[C@@H](C(=O)Cc1c[nH]c2ccccc12)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103543 XJBHXFITUKOQLZ-INIZCTEOSA-N 426.328 6.017 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Br)cc1 915351427 BNLUYNXVGOGXES-KSFYIVLOSA-N 434.337 5.987 30 20 IKED CCn1c(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)nc2ccccc21 915928295 KULZLYBBTQTKNY-UHFFFAOYSA-N 439.519 5.023 30 20 IKED Cc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c(Cl)n1 916054843 CXMCKRIYKSPIJQ-UHFFFAOYSA-N 436.846 5.234 30 20 IKED Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1cc(Br)cs1 916333521 NIYVUKHHLXCKET-UHFFFAOYSA-N 434.171 5.247 30 20 IKED COc1cc(C=NN(c2ccccc2)c2ccccc2)ccc1OCc1c(C)noc1C 916540458 YKNLCNYEHRKOJR-UHFFFAOYSA-N 427.504 6.051 30 20 IKED C#CCOc1ccc2ccccc2c1C=Nn1cnnc1SCc1ccc(Cl)cc1 916546230 HCVBPOGYGRRRLA-UHFFFAOYSA-N 432.936 5.271 30 20 IKED Cc1ccc(C2=CCN(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)CC2)cc1 916691741 DCFAHOJJBYVZFP-UHFFFAOYSA-N 447.589 5.332 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCCSc2ccc(Cl)cc2)cc1Cl 916940412 MELGHKGKKHJWJN-MRXNPFEDSA-N 437.348 5.222 30 20 IKED CCOc1cccc2c1OCC(C(=O)[C@H](C#N)c1nc3cc(C(F)(F)F)ccc3s1)=C2 917043837 ONTCBLLOCLVXJF-HNNXBMFYSA-N 444.434 5.366 30 20 IKED N#C[C@@H](C(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1)c1nc2ccccc2o1 917510139 RBYQWXFVYLKGCB-AVRDEDQJSA-N 447.288 5.587 30 20 IKED O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 918736389 YQXMVOPEOVGVCQ-BQBZGAKWSA-N 444.681 5.834 30 20 IKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)OCc2ccc(-c3ccccc3C#N)cc2)cc1 919513886 USFVXGUQYIYEJI-KRWDZBQOSA-N 430.529 5.408 30 20 IKED C=CCN(C(=O)c1scnc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 920079941 KSIPTZZDERZRLI-UHFFFAOYSA-N 430.769 6.060 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)COc1ccc2oc3c(c2c1)CCCC3 920106640 VLQMBIFKNBSXLO-FQEVSTJZSA-N 426.472 5.072 30 20 IKED Cc1ccc(Cc2sc(NC(=O)CN3CCC[C@@H]3[C@@H](C#N)c3ccccc3)nc2C)cc1 1615607988 UDICPMHRXZQIQJ-XZOQPEGZSA-N 444.604 5.061 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4cccnc4n3)CCC2)cc1 1789454109 QKQUNINHSPQMFC-QFIPXVFZSA-N 440.547 5.146 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc(OCCC)cc3)cc2)CCC1 1790337803 PAVYMZDBLMYUCG-UHFFFAOYSA-N 438.593 5.142 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4ccccc34)CCC2)cc1 1790568086 MPUBPMXLYDMGHZ-IBGZPJMESA-N 443.547 5.388 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H](C)c3ccccc3)CCC2)cc1 1790569563 DHXRXJCOMIWGMS-UXHICEINSA-N 435.568 5.115 30 20 IKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4nc(C)c(C)s4)CCC3)cc2)c1 1790796065 VJHDNGAVZVGKMT-UHFFFAOYSA-N 444.560 5.002 30 20 IKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/C4CC4)CCC3)cc2)cc1C#N 1792169643 SYSJKQLXPMXBNT-AWNIVKPZSA-N 443.547 5.059 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1ccccc1C 1796471514 CAZDGWSKFMQVKP-KOUNCHBCSA-N 445.607 5.301 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cccc(Cl)c3C)C2)CC1 1805098898 AVPQSWWUTXBCCG-HXUWFJFHSA-N 429.004 5.262 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3ncccc3c2)CC1 1824142294 MSQFPAARGITMGC-AREMUKBSSA-N 445.607 5.237 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCCCC2(F)F)CC1 1824641949 JYCOKLNNEBBMGO-YADHBBJMSA-N 436.587 5.200 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3cc[nH]c23)CC1 1828314603 VQHBXLQMRATHMF-QHCPKHFHSA-N 435.612 5.394 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)cc2C)CC1 1832024701 CZBBCYULBKBQCM-HSZRJFAPSA-N 429.004 5.075 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccccc2CC)cc1 10173474 HWMMHEHHHDUXPR-UHFFFAOYSA-O 430.018 5.865 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(F)cc1F)[n+]1ccccc1CC 10174333 BSYGJYOFTBKPBU-UHFFFAOYSA-O 425.524 5.428 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cc(C)sc2C)=C(\S)Nc2cccc(Cl)c2C)c1 11258931 MITMVAOTSAPKMB-UHFFFAOYSA-O 430.018 5.974 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cc2c(cc1Br)OCCO2 14632753 SXPQZDGHHUPEFC-UHFFFAOYSA-N 435.277 5.011 30 20 IKED CC(=O)N(c1nc(COc2ccc(C#N)cc2Cl)cs1)c1c(C)cc(C)cc1Cl 18963667 AMWIIWYNHXXBCJ-UHFFFAOYSA-N 446.359 6.202 30 20 IKED Cc1ccccc1-n1c(SCC(=O)O[C@@H](C)C#N)nnc1-c1ccc(Cl)cc1Cl 22846959 BCXARMGOHCESGH-ZDUSSCGKSA-N 447.347 5.097 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1 29202464 OOEZKSMIIMQOCG-UHFFFAOYSA-N 443.532 5.161 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)nnc1-c1ccco1 29550574 HSLRPQCCDZRWPG-NRFANRHFSA-N 446.532 5.205 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 63667831 UTTWVISWCNEXTA-SFHVURJKSA-N 443.507 5.085 30 20 IKED Cc1sc(NC(=O)CCCCCCC(=O)Nc2sc(C)c(C)c2C#N)c(C#N)c1C 96602694 NMXJNJZMEKAGPT-UHFFFAOYSA-N 442.610 5.704 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNCc2cn(Cc3ccccc3)nc2-c2cccs2)c1 237024252 OWSOMPLZXFSHSZ-QHCPKHFHSA-N 442.588 5.631 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3cccc(NC(=O)c4ccncc4)c3)c2)c1 238141676 UGKLLXJLTOMRNS-UHFFFAOYSA-N 448.526 5.074 30 20 IKED COc1ccccc1-c1csc(C2CCN(c3ccc4cc(C#N)ccc4n3)CC2)n1 302687881 BOSRIBLULIQPLK-UHFFFAOYSA-N 426.545 5.623 30 20 IKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 303219793 UZLITMUQHBIXLQ-UHFFFAOYSA-N 447.494 6.164 30 20 IKED COCCOc1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1Cl 303594732 IRWUQFGFKPXGGT-UHFFFAOYSA-N 436.895 5.068 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 303694631 AAAAKGJDBNCLQQ-UHFFFAOYSA-N 431.336 5.182 30 20 IKED C=CC[C@H](C(=O)NC[C@@H]1CCCN(C(=O)[C@@H](CC=C)c2ccccc2)C1)c1ccccc1 427148670 YXNWZNZVUHLMIM-HRNNMHKYSA-N 430.592 5.061 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)c2ccccc21 427783759 ROCXHMBCWNMRCF-UHFFFAOYSA-N 432.430 5.663 30 20 IKED N#CCC1(CNC(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CC1 432481929 DMXGRUGUDBALNK-LBPRGKRZSA-N 447.301 5.321 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)c1C#N 432576901 XZXMGDIGVPJRJW-INIZCTEOSA-N 447.589 5.125 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1csc(CCc2ccccc2)n1 435133642 BYJSDMRKTMKDJQ-QGZVFWFLSA-N 436.606 5.502 30 20 IKED CCn1ncc2c(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc(-c3ccccc3)nc21 436354759 QSVLLDNWXRXCTM-WIOPSUGQSA-N 435.531 5.030 30 20 IKED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1C 436382818 KLVDLSIQLHLPKX-UWJYYQICSA-N 427.932 5.003 30 20 IKED COc1cc(CSCc2nc(CC(F)(F)F)no2)ccc1OCc1cccc(C#N)c1 437263555 TXBRFYQHTADPSU-UHFFFAOYSA-N 449.454 5.067 30 20 IKED CC[C@](C)(NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nc(C)cs1 437739035 VTENLKAJAKYDEN-CVDCTZTESA-N 438.984 6.207 30 20 IKED C[C@H]1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)[C@@H]1c1ccc(C(F)(F)F)cc1 437798592 LGKSEPQKLGDUCG-XFQAVAEZSA-N 447.526 6.572 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCOC[C@H]3c3ccccc3)cc2Cl)c1 437958602 FVWGNMFAERAQGI-QHCPKHFHSA-N 447.922 5.396 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC3(c4cccc(F)c4)CCOCC3)cc2)c1 438068245 XZHOSOIHDMGBFK-UHFFFAOYSA-N 431.467 5.317 30 20 IKED COc1ccc(CCCN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 438651134 RJUAYURTSALZMY-UHFFFAOYSA-N 433.483 5.595 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCSC[C@@H]2c2ccccc2)cc1F 438659541 CWOLPQUFDPJBIK-OAQYLSRUSA-N 433.508 5.812 30 20 IKED C[C@@H](Nc1ccc(Oc2ccc(Cl)cn2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 439647116 VKXRBFYJDBYQNR-CYBMUJFWSA-N 438.940 5.388 30 20 IKED N#CCC[C@H](NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1)c1ccccc1 439670853 HUAAKVJMEPPWMB-NRFANRHFSA-N 428.517 5.143 30 20 IKED N#C[C@@H](C(=O)c1ccnc(OCC(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2)cs1 442688567 PKXVNBOMJJKJBW-AWEZNQCLSA-N 437.830 5.290 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1Cl 446840912 KDDPDILNURDKGQ-JOCHJYFZSA-N 446.894 5.494 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 448302602 NTLZACHWEVUBKP-RTWAWAEBSA-N 439.441 5.195 30 20 IKED C[C@H](C#N)CSc1ccccc1N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O 463927920 USDNGZKXKYPUEM-DNVCBOLYSA-N 431.508 5.147 30 20 IKED Cc1nc(C(F)(F)F)sc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 464616359 IRJOBPBKPSBNAM-UHFFFAOYSA-N 433.459 5.078 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2ncc(Cl)cc2C(=O)Cc2cccc(F)c2)c1 464708448 LXJRIMPRRHZFBI-UHFFFAOYSA-N 428.250 5.077 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)cc1C 465462973 MXFQCNUHRGNQDU-UYAOXDASSA-N 432.490 5.179 30 20 IKED C[C@H](NC(=O)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1ccc(C#N)cc1 465670025 XRWHUWKAAUDHPF-UPCLLVRISA-N 447.922 5.133 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1cccc(Cn2cnc3ccccc32)c1 465786413 SUNOKTGMJCPMKG-AHWVRZQESA-N 449.558 5.066 30 20 IKED N#C[C@@H]1N(C(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)CCC[C@]12CCCCO2 468658607 ILUWUGVZPHAVAE-SIKLNZKXSA-N 432.492 5.084 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)cc1 469477609 IHBUWMFWPGKCDD-UHFFFAOYSA-N 437.455 5.171 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CN[C@H](c2ccccc2)C(F)(F)F)cc1F 470526840 FBDGPGMRPDXALZ-JOCHJYFZSA-N 443.400 5.321 30 20 IKED COc1cccc(C=C2CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)CC2)c1 471566224 INPAOILLVIJKEJ-UHFFFAOYSA-N 444.560 5.325 30 20 IKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3)n2C)nnc1-c1ccccc1F 472186005 FHJPNZFUQDRWLB-UHFFFAOYSA-N 440.935 5.011 30 20 IKED C=C(C)[C@@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(F)c(F)c1 478920491 GQZZGYYXWIOAFG-GOSISDBHSA-N 435.883 5.194 30 20 IKED Cc1cc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)sc1-c1ccc(F)cc1 479251134 VDYULPFZMSEMRP-UHFFFAOYSA-N 433.552 5.151 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(OC)c(Br)c(OC)c1 481150879 DBAMELUACLBVMU-UHFFFAOYSA-N 445.766 5.401 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)N[C@@H](c3ccccc3)c3ccc(F)cc3)CC2)c(F)c1 481242518 ZPVUDEDFFRGNBK-VWLOTQADSA-N 447.485 5.179 30 20 IKED O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 482215269 RBLJDZQSNJUHPJ-NHYWBVRUSA-N 437.359 5.129 30 20 IKED N#CCCN(C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)C12CC3CC(CC(C3)C1)C2 486581334 ANUIZEDZTIWPJX-UHFFFAOYSA-N 445.538 5.403 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2nc(C(F)(F)F)ccc2C#N)n(C2CCCC2)c1C 488753969 NUCNMKUJHGPOMP-UHFFFAOYSA-N 447.486 5.108 30 20 IKED Cc1cc(C)c(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)o2)c(C)c1 488787999 SGDYBKDNLLINLZ-AWEZNQCLSA-N 426.929 5.306 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cc(Cl)ccc3C)o2)cc1 489786983 CRSYYAJAKQQHPB-AWEZNQCLSA-N 429.929 5.383 30 20 IKED Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)N(CCC#N)Cc2ccco2)n1 494229480 CRAJNHYHVRKRMV-UHFFFAOYSA-N 431.418 5.049 30 20 IKED N#Cc1ccccc1COc1cccc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 497216366 WGSTZPWFKMSEJP-UHFFFAOYSA-N 440.469 5.190 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccccc1CN1CCCCCC1 497463602 LXUHDJHFPNJEEB-UHFFFAOYSA-N 437.632 5.128 30 20 IKED N#Cc1ccc(SCC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)cc1C(F)(F)F 499490885 KWFCRMQUWVRQFW-QGZVFWFLSA-N 445.422 5.233 30 20 IKED N#C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1ccccc1Cl 499975015 SZVAJXHBPHGPND-KRWDZBQOSA-N 436.751 5.694 30 20 IKED Cc1nc(-c2cc3c(s2)CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C3)cs1 500734844 WBZQVIHHHZOSKB-UHFFFAOYSA-N 431.590 5.011 30 20 IKED Cc1onc(-c2cccc(Br)c2)c1C(=O)Nc1ccc(OC(C)C)c(C#N)c1 501947496 HMWJAYSACFHSGV-UHFFFAOYSA-N 440.297 5.324 30 20 IKED CC(C)Cn1ncc(C(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1C(F)F 505358859 DXUFYOULCRZLJA-AWEZNQCLSA-N 443.338 5.529 30 20 IKED C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510246446 YTJGNPVFESJDRE-CQSZACIVSA-N 449.561 5.673 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 511542761 QNXXSDJNBBSVCL-HZPDHXFCSA-N 440.334 5.951 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)n1 513682697 YIKTTXBRHPXDMI-QGZVFWFLSA-N 430.316 5.501 30 20 IKED CC(C)c1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cs2)cc1 517891180 JFEWMEWKOJOWHW-GOSISDBHSA-N 430.558 5.942 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N(CCc3ccccc3)Cc3cccnc3)cc2)cc1 518926741 NUPDSIIDQWZAIY-UHFFFAOYSA-N 447.538 5.825 30 20 IKED CCCOc1c(Cl)cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1OCC 519424066 PTBZBKTYFPALOF-OAHLLOKOSA-N 432.973 6.032 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(NC(=O)c4cccnc4)c3)cc2)cc1 519992188 SPDNAQHVWIFTDC-UHFFFAOYSA-N 434.455 5.250 30 20 IKED COCCOc1c(Cl)cccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 520010093 MOPUHEWARGNNFC-UHFFFAOYSA-N 436.895 5.068 30 20 IKED COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)Nc2ccc(C#N)cn2)cc1 520316053 ZOLGZIILQBMCCW-RGEXLXHISA-N 432.483 5.249 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC3(c4ccc(Cl)cc4)CCOCC3)cc2)cc1 521955466 HNGKMWRKGKEADH-UHFFFAOYSA-N 446.934 5.634 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)N(CCc1ccccc1)Cc1cccnc1 522070607 ARKXOPWBWPPUMM-UHFFFAOYSA-N 432.527 5.153 30 20 IKED CC(C)(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1cccc(Cl)c1 522950611 LZBUOOVVXFFGQL-UHFFFAOYSA-N 428.970 5.272 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCCCC[C@@H]3c3ccco3)cc2F)c1 523020756 ALWUVFGPZWLBLE-JOCHJYFZSA-N 433.483 6.019 30 20 IKED C[C@H](C#N)CNC(=O)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 531543541 KVCMLDVZYWNRFG-SECBINFHSA-N 436.381 5.053 30 20 IKED CC(C)(C)c1cc(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)c(C#N)s1 536010624 KGBHJBOUYCLVTH-UHFFFAOYSA-N 438.574 5.143 30 20 IKED CC[C@H](NC[C@@H](C#N)CCC#N)c1ccccc1OCc1ccccc1Br 539260938 JJWKMVQWSVJDFE-UTKZUKDTSA-N 426.358 5.512 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)oc2c(Br)cccc12 543879209 TZKXYLYISIAEEE-LBPRGKRZSA-N 444.235 5.739 30 20 IKED N#C[C@H](C(=O)c1ccnc(SCC(F)(F)F)c1)c1nc2cc(Cl)ccc2s1 544549641 VIKVTAYYBCFNLS-LLVKDONJSA-N 427.860 5.489 30 20 IKED CC(=O)c1cc(F)c(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)c1 548042325 FPSSLANEPPBQTI-UHFFFAOYSA-N 447.303 5.006 30 20 IKED CN(CCc1nc(-c2ccccc2)no1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 554161270 ZSTWFJLTTQFZTH-UHFFFAOYSA-N 439.475 5.107 30 20 IKED Cc1cc2cc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)ccc2n(C)c1=O 557859479 ZUZPSJPAVFWLOA-UHFFFAOYSA-N 439.540 5.263 30 20 IKED C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N(C)Cc1nc(O)c2sccc2n1 559004770 SJIPPAXNUNDJQD-UHFFFAOYSA-N 442.548 5.021 30 20 IKED C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N(C)Cc1nc2ccccc2s1 559008735 DWMUOZAFKDDPRP-JXFKEZNVSA-N 425.602 5.019 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@@H](C)Cc1ccccc1C(F)(F)F 561908004 VGZVMXOOAVBNAM-IRXDYDNUSA-N 449.542 5.459 30 20 IKED CCc1ccc([C@@H](C#N)NC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)cc1 584435357 DBLNGKVJKIFOEH-HXUWFJFHSA-N 435.574 5.036 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)cc1 590567869 VMJYBLMTGGWARB-DHIUTWEWSA-N 439.584 5.059 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)c3ccccc3SCc3cccs3)n2)cc1 590612918 DKTKVBFSOYMVGJ-UHFFFAOYSA-N 433.583 6.288 30 20 IKED Cc1ccc(-c2csc3nc(SCCCC#N)n(C[C@@H]4CCCO4)c(=O)c23)cc1 593897765 XHLGHDLYDCXECM-KRWDZBQOSA-N 425.579 5.008 30 20 IKED Cc1noc(C)c1COc1ccc(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 602756098 OMSZRMQQCWQZQC-CQSZACIVSA-N 435.549 5.110 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(OCc2cccnc2)cc1 603739113 RGILHQASKOMOAV-UHFFFAOYSA-N 436.471 5.280 30 20 IKED CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 603740172 SHDXZGMHJBVRRK-UHFFFAOYSA-N 433.537 5.250 30 20 IKED N#Cc1c(NC(=O)c2cc(F)ccc2Br)sc2c1-c1ccccc1CC2 603992372 SVSJOIFHXPNGDC-UHFFFAOYSA-N 427.298 5.539 30 20 IKED N#Cc1ccc(NC(=O)CSCc2csc(COc3ccc(Cl)cc3)n2)cc1 604062761 BVULDFLVTMYMFA-UHFFFAOYSA-N 429.954 5.119 30 20 IKED CCN(C(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1)[C@H](C)c1ccc(C#N)cc1 604343311 DIVQXXARSAUJRL-LJQANCHMSA-N 436.515 5.807 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604456749 YUUAGZYZGJSNBU-UHFFFAOYSA-N 443.484 5.818 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC[C@H](Cc2ccc(F)cc2)C1 605956512 QIIOKBVTWWLZFR-RBSFLKMASA-N 440.403 5.309 30 20 IKED O=C(Nc1cccc(CC(F)(F)F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 608334489 WQYYPCDQTYMXPP-QWRGUYRKSA-N 436.318 5.822 30 20 IKED N#CCn1c(C(=O)Nc2nc(-c3cccc(Br)c3)cs2)cc2ccccc21 609200457 FRSKUDWNLFOXDL-UHFFFAOYSA-N 437.322 5.303 30 20 IKED CCCOc1ccc([C@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1OC 609398644 HJRARBYWNHHHEU-SJORKVTESA-N 427.570 5.618 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OC(C)C 609435551 XBLIAKDAQVGOPT-DLBZAZTESA-N 427.570 5.759 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(N2c3ccccc3C[C@H]2C)CC1 609435572 YGSUDPGYNYDBOA-RTBURBONSA-N 434.609 5.528 30 20 IKED CCN(Cc1ccc(OC)cc1OC)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 609499314 HVWXDCMNPCQKBS-UHFFFAOYSA-N 430.504 5.224 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC2CCN(c3ccccc3)CC2)c1 609723826 FCURXFHEDUJLIC-UHFFFAOYSA-N 431.923 5.403 30 20 IKED C[C@H](c1ccc2ccccc2c1)N(C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)C1CC1 610663987 HAPUEJSZZPAQAW-LJQANCHMSA-N 439.563 5.010 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CNc2ccc(C(F)(F)C(F)(F)F)cc2)c1C 610738455 OPXCZEQNISTYLB-UHFFFAOYSA-N 425.401 5.316 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)c1ccc2ccccc2n1 613291261 XJSTXMYBBCELID-LJQANCHMSA-N 438.874 5.824 30 20 IKED O=[N+]([O-])c1ccc(N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)nc1-c1ccc(F)cc1 619527159 NZQDIJMISUZOMT-VXGBXAGGSA-N 437.315 5.363 30 20 IKED N#C[C@H](C(=O)c1cncn1-c1ccc(F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 642282065 IEUPCQNOILTJED-CQSZACIVSA-N 430.386 5.130 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ccc(Cl)cc2)n1)c1nc2ccccc2n1C(F)F 642282418 PVAWQPACOSTRGM-CYBMUJFWSA-N 428.851 5.698 30 20 IKED C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 674330544 FKPAIXHYYMFIRF-DSZLRUIBSA-N 426.376 5.221 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674442210 GSGKIBVZCJTPMV-RYUDHWBXSA-N 426.357 5.070 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCOC[C@@H]2c2c(C)nn(-c3ccccc3)c2C)c1 679426272 GLHCOTZUFFYECM-XMMPIXPASA-N 446.551 5.049 30 20 IKED CCN(C(=O)CON=Cc1cccc(OCc2ccncc2)c1)c1cccc2ccccc12 727435615 TZTKSLHPVOYABY-UHFFFAOYSA-N 439.515 5.217 30 20 IKED CCc1oc2ccccc2c1C=NOCc1nc(-c2ccc(OC(F)F)c(OC)c2)no1 727491079 YRFPOXVOONDMTE-UHFFFAOYSA-N 443.406 5.206 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Oc2ccc(NC(=O)c3sccc3C)cc2)c1C#N 729375142 REMQPCSVXFKYMP-UHFFFAOYSA-N 449.557 5.394 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 730395863 JMYUECHOMYEXTN-MRXNPFEDSA-N 430.407 5.275 30 20 IKED C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1ccc(OCc2ccccc2C#N)cc1 732017936 AVVCWFYOVJZTLV-GOHWNWGWSA-N 426.516 5.128 30 20 IKED CC[C@H](C#N)Oc1cc(CNCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)ccc1OC 733330316 UBTSXRKINWQVSI-OAQYLSRUSA-N 438.612 5.967 30 20 IKED COc1ccc(/C=C2\CCOc3c(Br)cccc3C2=O)cc1OC(F)F 733748882 MJXGRGCOYJFGCL-FMIVXFBMSA-N 425.225 5.108 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1 733773237 VZGBWJWDYFIVEA-HXUWFJFHSA-N 438.449 5.983 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 733845133 MNDQZVBYKVNKCU-NRFANRHFSA-N 426.476 5.353 30 20 IKED C=CCc1cc(CNC(=S)Nc2ccc(OC(F)F)c(Cl)c2)cc(OC)c1OC 735627904 LCHNAJRTAYVWTA-UHFFFAOYSA-N 442.915 5.174 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Nc3cccc(OC[C@H]4CCCO4)c3)c2)s1 740435934 XIDCPERYZYHEDJ-OAQYLSRUSA-N 433.533 5.166 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N(Cc3cccc(F)c3)C[C@H]3CCCO3)c2)s1 740483503 SEDMBHMCPVYLQR-JOCHJYFZSA-N 449.551 5.317 30 20 IKED C[C@H](OC(=O)c1cc2ccccc2n1CC#N)c1ccc(N(C)Cc2ccccn2)c(F)c1 744204071 PCCFBUGFANTYMN-SFHVURJKSA-N 442.494 5.253 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 749361040 OVHGAJYJGUUHAB-UHFFFAOYSA-N 446.963 5.065 30 20 IKED COc1ccccc1NC(=O)c1cc2ccccc2cc1OC(=O)c1ccc(C#N)s1 750684511 RKIFHZFEYWAINF-UHFFFAOYSA-N 428.469 5.253 30 20 IKED N#CCSc1ccccc1C(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 753228822 KJTOCYZNMWFAPJ-SFHVURJKSA-N 438.597 5.218 30 20 IKED COc1cccc([C@@H](C)CC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 753397033 XKGGTKXOKBAWSN-AVRDEDQJSA-N 428.488 5.329 30 20 IKED C=CC[C@@H](NC(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1)c1ccncc1 756041893 YSPJNENNBRPCHM-AUUYWEPGSA-N 426.973 5.845 30 20 IKED N#Cc1cccc(-c2nnc(CNc3cc4c(cc3Sc3ccccc3)OCCO4)o2)c1 760455990 QEEYGDLAAYDWRY-UHFFFAOYSA-N 442.500 5.143 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1 760797358 LCTBFGXYVCKYSZ-NRFANRHFSA-N 428.822 5.279 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 761843679 SXBVJZGOTQHUTN-VWLOTQADSA-N 438.487 5.136 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C[C@@H]3CCCN3C(=O)OC(C)(C)C)n2)cc1 777296005 IAIAWLFBKKBEEC-ZWKOTPCHSA-N 425.554 5.084 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)nn1-c1ccc(Cl)c(Cl)c1 777299900 AFIVVPVSSCUHOY-OAHLLOKOSA-N 447.709 5.102 30 20 IKED C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(C(F)(F)F)c1)c1ccc(OCC#N)cc1 777679087 CZZIBXMXIZIFAV-ZACQAIPSSA-N 433.474 5.394 30 20 IKED Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 782393414 SZYFABBNXMGYQX-GFCCVEGCSA-N 441.340 5.100 30 20 IKED Fc1ccccc1-c1nn(CN(CCC(F)(F)F)CC(F)(F)F)c(=S)n1C1CC1 790411117 PVLHBGDZKWMBNV-UHFFFAOYSA-N 442.404 5.329 30 20 IKED COCC[C@@H](Cc1cccc(Br)c1)C(=O)[C@@H](C#N)c1nccc2ccccc12 792093979 BTUWMZUQTIFESL-RXVVDRJESA-N 437.337 5.069 30 20 IKED C=CC[C@]1(C(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)CCCN1C(=O)OC(C)(C)C 792535342 MKFZYYJDDWFKDY-RUZDIDTESA-N 443.588 5.264 30 20 IKED CN(C)C(=O)c1ccc(C(=O)/C=C/c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 792924032 AMAPSQIJRYZWSA-MDZDMXLPSA-N 431.344 5.715 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN2CC[C@@H](Sc3cccc(Cl)c3)C2)c1=S 793794964 ZXUNCDUDKSHMAQ-GOSISDBHSA-N 444.029 5.140 30 20 IKED N#C[C@@H](C(=O)CSCc1ccc(C(F)(F)F)cc1)c1nc(-c2ccccc2)cs1 794440470 FEGJZRDNTQXXCB-KRWDZBQOSA-N 432.492 5.939 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC([C@@H](O)c2ccccc2C)CC1 804514771 NPBKXRSJUPIMNV-JOCHJYFZSA-N 433.470 5.164 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)C(C)(C)c1csc(-c2c(F)cccc2Cl)n1 813152568 FZTYBORDAVMZHA-CYBMUJFWSA-N 443.931 5.810 30 20 IKED N#C[C@@H](C(=O)CN(Cc1ccco1)c1cccc(Cl)c1)c1cc(C(F)(F)F)ccn1 813211246 GUCGOIOAANZEGQ-GOSISDBHSA-N 433.817 5.230 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 915085868 FZBDCJKNXRQCGC-QHCPKHFHSA-N 440.503 5.105 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)cc1 915181340 YZPJBWFMFKUTMS-YADHBBJMSA-N 429.545 5.037 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(C)nn(-c2ccccc2)c1Cl 915860233 OIHAZBXXQZEZGH-UHFFFAOYSA-N 443.894 5.454 30 20 IKED CC(=NNc1ccc(C(F)(F)F)cn1)c1cccc(OCc2cn3ccccc3n2)c1 915936949 HWBSWYPAZIHLIN-UHFFFAOYSA-N 425.414 5.163 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Oc2ccc(-c3ccccc3)cc2)CC1 916880430 QXTHSFRVSQBNNC-UHFFFAOYSA-N 439.471 5.295 30 20 IKED N#C[C@@H](C(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1 916884388 COYWVGRAHFLLKD-NSHDSACASA-N 432.090 5.027 30 20 IKED COCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)sc2cccc(F)c12 916974374 JNROZWJZXVUQKT-OAHLLOKOSA-N 436.533 6.109 30 20 IKED Cc1ccccc1/C(O)=C(/C(=S)Nc1ccccc1C#N)[n+]1ccc(C(C)(C)C)cc1 917612067 FISYVEPTMWKFBR-UHFFFAOYSA-O 428.581 5.775 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)cc1OC 918667611 HEVBWRYIBPBJNV-WQLSENKSSA-N 432.476 5.066 30 20 IKED CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1N=Cc1cc(OC)ccc1O 920943038 PFQJJLPPHKDXOG-UHFFFAOYSA-N 434.492 5.201 30 20 IKED Cc1cccc(CN(Cc2ccc(C#N)cc2OC(F)F)c2ccc3nc(O)[nH]c3c2)c1 1459696088 IQJSOXCVJSSVQG-UHFFFAOYSA-N 434.446 5.257 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(C(F)(F)F)ccn3)cc2)CCC1 1789828136 OYSGNPNRHQYKKU-HNNXBMFYSA-N 431.458 5.060 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)c1 1797879156 OSLGGUCAVIQREC-JVYHVUEVSA-N 447.623 5.172 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3[nH]ccc3s2)n[nH]1 1818789588 ZTLSMULABRWOPN-QGZVFWFLSA-N 439.585 5.251 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ncsc23)n[nH]1 1819152310 LAZRIAWHWBYNMT-HXUWFJFHSA-N 449.580 5.094 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cccnc3s2)[nH]n1 1819305337 IDBUUPACOHYSIK-MJGOQNOKSA-N 449.580 5.094 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(C)cc2)[nH]n1 1819309743 HSPGKQPKPRHQCU-GGAORHGYSA-N 434.584 5.111 30 20 IKED Cc1ccsc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832634172 IRPLYLQESNEICF-XXBNENTESA-N 449.620 5.231 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2ccccc2OC)cc1 10118236 ANCQAXRUSVTBSH-UHFFFAOYSA-O 447.624 5.894 30 20 IKED Cc1c(C#N)c(S[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)nc2c1CCC2 10323473 OWOPLVDDJUAYNH-HNNXBMFYSA-N 426.611 5.053 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc(C(F)(F)F)c2)[n+]2ccccc2)c(C)s1 11153065 UVHJRPIWOJQCSO-UHFFFAOYSA-O 435.516 5.722 30 20 IKED CC(C)c1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2cccc(O)c2)cc1 11264763 NGKZFFAAZHOGRC-UHFFFAOYSA-O 431.581 5.343 30 20 IKED COc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2)cc1 18114631 NCXFTKFOUDFQIR-UHFFFAOYSA-N 447.494 5.738 30 20 IKED C[C@@H]1CCc2sc(/C(O)=N/c3nnc(SCc4ccc(C#N)cc4)s3)cc2C1 21247768 MNXKCPUFNSYUAP-GFCCVEGCSA-N 426.592 5.525 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2ccccc2)s1 22731748 DILCSKUMBMUVAM-UHFFFAOYSA-O 437.488 5.294 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)nnc1-c1ccc(F)cc1 24014934 HIAAUZXNRSZNPE-CRAIPNDOSA-N 442.585 5.176 30 20 IKED Cc1ccc(C[C@H](C#N)Sc2nnc(Cc3cccs3)n2CCc2ccccc2)cc1 24701287 AUBMUASOUKGBMP-HSZRJFAPSA-N 444.629 5.709 30 20 IKED CC(C)CC(=O)Nc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 27268792 KOYQLXNPJVTSSI-UHFFFAOYSA-N 429.545 5.946 30 20 IKED C=CCn1c(SCc2noc(-c3ccc(Cl)cc3)n2)nnc1-c1ccc(F)cc1 28188642 OLUSUKFEURTTKE-UHFFFAOYSA-N 427.892 5.266 30 20 IKED Cc1ccc(-c2noc([C@H](C)Nc3ccc(OCc4cccc(C#N)c4)cc3)n2)cc1F 97543223 UFAGKZLTLMNNLQ-KRWDZBQOSA-N 428.467 5.808 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(SCc3csc(C)n3)cc2)cc1 111020587 UMFWVXLFIWTFHL-UHFFFAOYSA-N 437.590 5.703 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2oc3ccccc3c2CSc2cccs2)cc1 303067870 NPYAHVUILCXOIH-UHFFFAOYSA-N 432.570 6.840 30 20 IKED C[C@H](Sc1nnc(COc2ccccc2F)n1-c1ccccc1)c1ccc(C#N)cc1 303730385 UZWRFMWSTRGNGV-KRWDZBQOSA-N 430.508 5.710 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)c3ccn(-c4cccc(C#N)c4)n3)s2)cc1 409726464 KUQCNSKPFZTGOV-SFHVURJKSA-N 441.560 5.318 30 20 IKED N#CCSc1cccc(C(=O)N2CCC(F)(c3ccccc3OC(F)(F)F)CC2)c1 410168997 OXEBOJYRAXEHKK-UHFFFAOYSA-N 438.446 5.302 30 20 IKED N#CCCn1ncc(C(=O)N2CCC(c3cccc4ccccc34)CC2)c1-c1ccccc1 428912338 MWCNXIRCEMNSCQ-UHFFFAOYSA-N 434.543 5.637 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Br)c(C)c2)cc1 431968842 CEDBEKKTOHJGDS-HXUWFJFHSA-N 442.357 5.042 30 20 IKED Cc1ccc(S(=O)(=O)N[C@H](CN[C@@H](CCCC#N)c2ccccc2)c2ccccc2)cc1 433024447 CVEBLMICPDGAPP-IZZNHLLZSA-N 447.604 5.039 30 20 IKED N#CCCn1cc(CNCc2ccc(Sc3ccc(F)cc3)cc2)c(-c2ccncc2)n1 433326304 NEPXNKAZPCOPQN-UHFFFAOYSA-N 443.551 5.439 30 20 IKED CSc1ccc(CCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 436352303 MPJJILHBKAVFMV-UHFFFAOYSA-N 431.561 5.418 30 20 IKED CC[C@@H](C)Oc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cc1 437240924 OOLZIKAPOJGFTH-QGZVFWFLSA-N 429.476 5.105 30 20 IKED COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccc(CC#N)cc1)CCO2 437596692 AHCQHKVRYQJKDA-DEOSSOPVSA-N 427.504 5.319 30 20 IKED CO[C@H](C)c1nc(CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cs1 438397611 CXBBCWCBDXIGKB-CYBMUJFWSA-N 427.913 5.098 30 20 IKED CC(C)(C)Oc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cc1 438779711 PBWZVTTYQACKCP-UHFFFAOYSA-N 429.476 5.105 30 20 IKED CCCc1c(NC(=O)N[C@@H](C)c2ccccc2OC(F)F)cnn1-c1cccc(C#N)c1 439661359 GKTBKQMPDLNCHS-HNNXBMFYSA-N 439.466 5.181 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@H](CCC#N)c1ccccc1 439668692 BOFVHFHWERQOGH-OXJNMPFZSA-N 439.968 5.778 30 20 IKED Cc1cc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)ccc1OC(C)C 441543609 NZLRIBXVKQZFEI-UHFFFAOYSA-N 429.476 5.023 30 20 IKED Cc1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)ccc1NC(=O)CC(C)C 460160172 ITAVTRWDOBHTRN-UHFFFAOYSA-N 427.504 5.896 30 20 IKED Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 460470893 WORAXRUYRUDNRH-GOSISDBHSA-N 440.286 6.118 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)c1ccc(C#N)c(C)n1 460663318 JYWPOUQYRFGXKP-UHFFFAOYSA-N 427.483 5.559 30 20 IKED COc1ccc([C@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)cc1 461509954 DHHXAPADFDQMJJ-HSZRJFAPSA-N 441.560 5.277 30 20 IKED Cc1ccc(C)c(-c2csc(NC(=O)Cc3noc([C@H](C)c4cccc(C#N)c4)n3)n2)c1 463054437 NVHQSIIGLQSAJJ-MRXNPFEDSA-N 443.532 5.015 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)COc2cc(Cl)cc(Cl)c2)cc1 463296654 VXYNDJGDRSNMFK-UHFFFAOYSA-N 441.314 5.656 30 20 IKED Cc1cnc([C@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C2CC2)s1 466120156 ZQCCRSIWCHYJCH-JOCHJYFZSA-N 432.549 5.369 30 20 IKED Cc1ccc(O[C@@H](C)CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 466164105 FYOHHUOWGGKLPY-FQEVSTJZSA-N 429.520 5.229 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)CC(=O)Nc1ccccc1SCC#N 468838794 DOXCKTOOAJJPAW-KRWDZBQOSA-N 436.606 5.366 30 20 IKED C[C@@H](O)C[C@H](CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccccc1 469698057 NYIGSJNOJPZTAD-YLJYHZDGSA-N 433.483 5.166 30 20 IKED CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470538308 PEBGCEVWBPHQHU-XMMPIXPASA-N 446.595 5.453 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2ccccc2Br)nnc1-c1cccs1 473799348 SAFGESHGAOSERX-LBPRGKRZSA-N 434.384 5.319 30 20 IKED C=CCN(C(=O)Nc1cccc(COC(C)(C)C)c1C)[C@H](C)c1cccc(-n2cnnn2)c1 475957306 LZHQPAFSEOWHHU-LJQANCHMSA-N 448.571 5.067 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1 476128127 BDRWTTJOHHLOFK-IBGZPJMESA-N 440.609 5.354 30 20 IKED C=CCN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)c1nc(C(=O)OCC)cs1 481184608 UZHAFQMWLKPCQX-UHFFFAOYSA-N 449.557 5.175 30 20 IKED C=C(C)Cn1c(SCc2cn3cc(Cl)cc(Cl)c3n2)nnc1-c1ccncc1 481373801 OWOBDJAWJFXIDY-UHFFFAOYSA-N 431.352 5.163 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCc3nc4ccccc4s3)cc2F)c1 481600345 UYIFEPNYBRBIPO-UHFFFAOYSA-N 432.480 5.208 30 20 IKED Cc1ccc(-c2ccc(Cl)cc2NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)o1 484325414 PPVWRRMUVFUWGS-UHFFFAOYSA-N 437.883 5.168 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1ccc(OC)c(Br)c1 497490486 GCIRQOLWKNVSBG-UHFFFAOYSA-N 428.779 5.320 30 20 IKED Cc1nc([C@H]2CCCCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)no1 500735061 WMQYLAVXFAPJTN-HSZRJFAPSA-N 445.523 5.172 30 20 IKED C=CCn1c(SCc2coc(-c3cccc(F)c3)n2)nc2sc(C)c(C)c2c1=O 501584860 NDRGZFQALOGASF-UHFFFAOYSA-N 427.526 5.347 30 20 IKED COc1ccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1NC(C)=O 502495015 CGUXWWGTKVWBRR-UHFFFAOYSA-N 444.491 5.057 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H](c3ccccc3)c3ccncc3)c2)c1 503038427 VMXPSPURGUZLRA-VWLOTQADSA-N 447.498 5.117 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc23)cc1 503369175 FXWOBWFRIKMNJA-RRPNLBNLSA-N 432.523 6.227 30 20 IKED Cc1n[nH]c(C)c1CC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 504246268 YFVRFBNFKKLNSR-CQSZACIVSA-N 447.301 5.026 30 20 IKED C=CCCc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 504263882 FIGUWPCROPWAHG-UHFFFAOYSA-N 442.487 5.137 30 20 IKED Cc1ccc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cc1NC(=O)c1ccco1 505540269 MUXNDSRJYUERTK-QGZVFWFLSA-N 428.275 5.142 30 20 IKED O=C(CN[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)Nc1ccccc1C(F)(F)F 505885257 PIVCIDBLXIHXPJ-OAHLLOKOSA-N 444.297 5.556 30 20 IKED Cc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1NC(=O)c1ccco1 505922735 LAQCOHXXOKHABY-GOSISDBHSA-N 428.275 5.142 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCCc2c[nH]c3ccc(F)cc23)cc1C 506253123 JOORDMBXEVCVTF-UHFFFAOYSA-N 443.526 5.064 30 20 IKED CC1(C#N)CCN(C(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 506879821 ATNQBJQQQZEVNB-UHFFFAOYSA-N 445.445 5.507 30 20 IKED C=CCn1c(-c2sccc2C)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 508490084 ARWYMGMZLNYAQZ-ZDUSSCGKSA-N 439.532 5.360 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 509333121 XAODLKKEUADEFF-UHFFFAOYSA-N 445.522 5.450 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCc1nc2ccccc2s1 510729627 KFNLPXZSAOZNJX-UHFFFAOYSA-N 428.517 5.633 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H]1CCN(c2ccccc2)C1 510744788 IQOTVIKBTAGQIK-NRFANRHFSA-N 426.520 5.307 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c2ccc(Br)cc2n1 515585248 JFPUEOAQRXUYMB-OAHLLOKOSA-N 434.215 5.210 30 20 IKED CCC(C)(C)NC(=O)c1ccc(NC(=O)CSCc2ccc(C#N)cc2)cc1Cl 515617013 QVPOYOAJIDJNKQ-UHFFFAOYSA-N 429.973 5.002 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2COc3ccc(Cl)cc3C2)cc1 515655492 QDCRYEQHIUUYQH-HXUWFJFHSA-N 432.907 5.175 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(COc2ccccc2)cc1 520197286 BWESLINFCAXDIG-IBGZPJMESA-N 431.561 5.982 30 20 IKED C[C@H](C#N)CSc1ccccc1NCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 520827441 CTASMWAABJYAGU-MWTRTKDXSA-N 439.581 5.457 30 20 IKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)N1CCCc2ccccc21 520833866 MXJFNIPOZOYHFB-OAHLLOKOSA-N 433.499 5.491 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 522072513 RJKBZUUCISWICO-MRXNPFEDSA-N 436.556 5.970 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)Nc2cccc(OCc3cscn3)c2)CC1 522084785 DCDRCJVQWPGJFA-UHFFFAOYSA-N 448.548 5.105 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@@H]2CCCc3nc(C)sc32)cc1 522092393 VHAOMRGNKDSESS-HXUWFJFHSA-N 448.548 5.665 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(-n3ccnc3)c2)cc1Cl 522431803 PHGMUVQYBOSECK-HSZRJFAPSA-N 441.922 5.503 30 20 IKED C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 522842430 WEYLKAQKWIFKQP-IFMALSPDSA-N 432.568 5.469 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c(OC)c1 523970635 UIJYLMXLQPUWII-MYUZEXMDSA-N 445.563 5.373 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(F)cc4nccnc34)cc2Cl)c1 524119778 FHFDBAIIPLCMKO-UHFFFAOYSA-N 432.842 5.125 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 524566170 PGHZVYYBJAOWOZ-RTBURBONSA-N 435.618 6.795 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl 525061581 KEPHPHFOQKYWPY-CQSZACIVSA-N 444.988 5.907 30 20 IKED C=C[C@@H](CC(=O)Nc1ccc(OC)c(OCc2cn3ccccc3n2)c1)c1ccccc1 536124103 MFJCBUDALWYURF-IBGZPJMESA-N 427.504 5.220 30 20 IKED CC(C)Cn1cc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(C(F)F)n1 536411020 ISGZCCLBXJLLFA-UHFFFAOYSA-N 425.439 5.785 30 20 IKED Cc1nc(-c2ccc([C@@H](C)N[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)cc2)cs1 540381840 XPIJILBQVIPXCB-KGLIPLIRSA-N 436.606 5.218 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3CCO[C@H](c4ccc(F)cc4)C3)cc2)c1 541736544 VGMQZXPOSKORGW-URXFXBBRSA-N 431.467 5.531 30 20 IKED COc1ccc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OCc1cccnc1 542947623 JEYMJVCIAYFLIA-OAQYLSRUSA-N 449.554 6.059 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 544422796 IFNYJVVARZSRLA-CQSZACIVSA-N 435.411 5.149 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)COc1ccccc1OCC(F)(F)F 551297037 QETFRQYMRMSDOP-UHFFFAOYSA-N 440.421 5.112 30 20 IKED COCCN(Cc1ccco1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 551706118 XZHPWBXKKSWGLQ-UHFFFAOYSA-N 439.899 5.064 30 20 IKED CC(C)(CCC#N)CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1 554792414 NRAFHQWGIGTPDE-NHTMILBNSA-N 431.580 5.059 30 20 IKED CCN(C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[C@H](C)c1cc2ccccc2o1 558511108 KWVFJYHKPKENJD-QGZVFWFLSA-N 426.476 6.107 30 20 IKED C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)c2ccc(Cl)cc2)CC1 559003963 PKIOATSWNJKKQE-UHFFFAOYSA-N 445.954 5.146 30 20 IKED C[C@@](C#N)(CCc1ccccc1)NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 561957500 JCTNEODAEJZYHU-QHCPKHFHSA-N 442.346 5.612 30 20 IKED O=C(Nc1ccnn1Cc1ccc(C(F)(F)F)cc1)c1c(F)cc(C(F)(F)F)cc1F 577787155 BDPPFTNVZASVHE-UHFFFAOYSA-N 449.301 5.500 30 20 IKED O=C(N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2cccc(C(F)(F)F)c2)CC1 589320941 SPWURHRXDOCVSR-BETUJISGSA-N 433.314 5.326 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccccc3SCc3cccs3)s2)cc1 602230609 YRCIXYNGNFUTHW-UHFFFAOYSA-N 447.610 6.212 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CSc1ccc2c(c1)OCCO2 603532940 HQBLVGGVQLPPNB-UHFFFAOYSA-N 448.519 5.103 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 603956866 KKDVLURMRRHINA-UHFFFAOYSA-N 435.524 5.370 30 20 IKED N#Cc1c(NC(=O)c2cccc(NC(=O)c3cccs3)c2)sc2c1CCCCCC2 603996641 ZPCIRJSVIQBGLS-UHFFFAOYSA-N 435.574 5.845 30 20 IKED Cc1nc(SCC(=O)N(Cc2ccco2)c2ccc(F)cc2F)c(C#N)c(C)c1C 603996928 NCKGNKFSADPRFV-UHFFFAOYSA-N 427.476 5.075 30 20 IKED CCC(CC)[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1cccs1 604226556 WILWHEMEUODGBR-JOCHJYFZSA-N 448.548 5.039 30 20 IKED CSc1nc(C2CC2)cc(C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)c1C#N 604458632 TWYULACIMKMBTG-UHFFFAOYSA-N 448.592 5.001 30 20 IKED COc1cc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c(OC)cc1Cl 609296419 QEARNKZPLMLFTG-UHFFFAOYSA-N 426.831 5.413 30 20 IKED COc1ccccc1[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccccc1 609374232 KWDZKWIIISQNJU-SANMLTNESA-N 438.483 5.258 30 20 IKED Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 609386958 APJTUXRPSZBJEM-CVEARBPZSA-N 435.515 5.697 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1cccc2ccccc12 609438759 SDMGGBVPCHKUDK-WZONZLPQSA-N 443.572 5.536 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NCc3ccc(COc4ccccc4)cc3)cc2)nc1 609500724 QJAJVTVREMBBTO-UHFFFAOYSA-N 435.483 5.255 30 20 IKED N#C[C@H](NC(=O)c1csc(-c2ccccc2Cl)n1)c1ccccc1Br 609593790 IGOBOPNZUWXBFH-HNNXBMFYSA-N 432.730 5.221 30 20 IKED COc1ccc2[nH]cc(CCNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)c2c1 609601938 WIOKYWLCJKDKKI-UHFFFAOYSA-N 426.476 5.205 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(Oc2ccnc3ccccc23)c1 609646693 HKKANWJXRGGEJO-UHFFFAOYSA-N 439.519 5.325 30 20 IKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 609660971 XZMXGDRBOGITQZ-XNMGPUDCSA-N 440.543 5.377 30 20 IKED Cc1cc(S(=O)(=O)Nc2ccccc2SC[C@@H](C)C#N)c(C)cc1Br 609733460 AQIMCAYFQJGIGS-LBPRGKRZSA-N 439.400 5.119 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)c1cccc(CC#N)c1 610051538 NCEOQRHCKBJEEX-CYBMUJFWSA-N 440.366 5.438 30 20 IKED COc1ccc(CCN(Cc2ccsc2)C(=O)N[C@@H](C)c2cccc(C#N)c2)cc1OC 610531087 WQUFIQURQGFEMT-SFHVURJKSA-N 449.576 5.152 30 20 IKED COCCn1ncc2ccc(NC(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc21 611817726 SETHVXLJQCZENH-SFHVURJKSA-N 439.519 5.104 30 20 IKED CC(=O)Nc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1C 613346960 SVCLSXRVIOMVLS-MRXNPFEDSA-N 444.343 5.874 30 20 IKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 613401623 HAIVZFFXHMHWGD-LBPRGKRZSA-N 430.480 5.276 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1cc(Br)ccc1Br 615493568 SIKPUTRSAUBMEG-UHFFFAOYSA-N 442.126 5.571 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC34CCC(C(F)(F)F)(CC3)CC4)cn2)cc1 618747216 NVOWFKBTRAHELD-UHFFFAOYSA-N 430.430 5.522 30 20 IKED CN(C(=O)N[C@@H]1CCc2cc(C#N)ccc21)[C@@H]1CCSc2ccc(Br)cc21 618840420 CZTLAXIAKROZFJ-RTBURBONSA-N 442.382 5.187 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)cc1 622925291 JLADIFFLZJICPR-NOZRDPDXSA-N 447.579 5.132 30 20 IKED C=CCOc1ccc(C(=O)N(Cc2ccccc2)[C@H](C)c2cccc(NC(C)=O)c2)cc1 642018728 MRJRHMOGZFOUHO-HXUWFJFHSA-N 428.532 5.613 30 20 IKED C=CCn1c(SCc2csc(C(C)(C)C)n2)nnc1[C@H]1COc2ccccc2O1 642252137 OEQQEOVHTDLTDS-QGZVFWFLSA-N 428.583 5.023 30 20 IKED N#C[C@@H](C(=O)c1cn(-c2ccccc2)nn1)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281926 ZEKMOPWLRPJJIG-HNNXBMFYSA-N 440.315 5.188 30 20 IKED C=CCOc1ccccc1CN(C(=O)c1c(C)noc1C(F)F)c1ccc2c(c1)OCO2 673699977 ODNAKWONRXASLJ-UHFFFAOYSA-N 442.418 5.061 30 20 IKED N#C[C@H](C(=O)c1sc(-c2ccccc2)nc1C(F)F)c1nc(-c2ccncc2)cs1 677790976 ICDWBFCLIGDALP-CQSZACIVSA-N 438.484 5.756 30 20 IKED C=C(C)COc1cc(/C=C2/SC(=S)N(CCc3cccs3)C2=O)ccc1OC 727863969 NUNMPCFTIMFZFE-XDHOZWIPSA-N 431.604 5.156 30 20 IKED O=C(O)C(=O)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)s1)c1ccc2ccccc2n1 728157535 YYERNHZRYAREIU-QGOAFFKASA-N 430.441 5.066 30 20 IKED C#Cc1cccc(N(C(=O)CCc2ncc(-c3ccccc3Br)o2)C(C)C)c1 728246259 SKNKLWPUDCJVNU-UHFFFAOYSA-N 437.337 5.460 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccnc2SC(F)F)cc1Cl 729319670 MORDZPUHYXTVRX-QGZVFWFLSA-N 429.879 5.957 30 20 IKED N#C[C@H](C(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1ccc2ccccc2n1 730071689 QKPXBDHUJBCDAR-DFBJGRDBSA-N 430.479 6.223 30 20 IKED Cc1nc(/C=C/c2cccc(OCC#N)c2)sc1C(=O)/C=C\c1cccc(OCC#N)c1 730149284 FJVAICYUDMFGLG-PNQPDEHRSA-N 441.512 5.323 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 730395651 UVYMAXQQFDRDPW-HNNXBMFYSA-N 437.286 5.174 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cc1coc2cc3c(cc12)CCC3 731063928 SUUYNJRFGQGVKP-MRXNPFEDSA-N 448.544 5.040 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1csc(-c2cccs2)n1 731069300 IUVWRRPHMKFFQT-ZDUSSCGKSA-N 443.575 5.061 30 20 IKED CCCOc1nc2ccccc2cc1/C=C\C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 731769124 XMXXABUYLCMIEF-SQZREULQSA-N 437.499 5.418 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cc(N4CCCC4=O)ccc3F)cc2)cc1 731975443 AWYCPLUZPOVDNP-UHFFFAOYSA-N 429.451 5.063 30 20 IKED CC[C@H](C#N)Oc1cccc(CNc2nc(-c3cccnc3)nc3sc4c(c23)CCC4)c1 733793043 CUASUYTYHJUOFR-GOSISDBHSA-N 441.560 5.535 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccccc2C(=O)NC2CC2)c1 734992512 IFJYGUHXIXHQFQ-UHFFFAOYSA-N 431.879 5.148 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(Cc2ccccc2F)n1 735593403 LBGTUCGAKPZKNJ-ZDUSSCGKSA-N 448.306 5.141 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 744016869 VHMCQGQTQPLOSJ-GOSISDBHSA-N 432.401 5.766 30 20 IKED C[C@H](C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccc(Br)s1 744027756 CMGUIGPRFMMDFI-WFASDCNBSA-N 427.323 5.115 30 20 IKED CC(=NN(C(=S)Nc1cccc(Cl)c1)C(C)(C)C)c1cccc(N2CCOC2=O)c1 745592312 VKFISHPMMFOWNJ-UHFFFAOYSA-N 444.988 5.518 30 20 IKED C[C@@H](CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)C(=O)c1cccc(F)c1 747112759 DTQWBKGVUAMQHV-WFASDCNBSA-N 428.435 5.313 30 20 IKED COc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1C#N 747244282 JMIGIYNNDWJWHS-NRFANRHFSA-N 430.895 5.197 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C 747542420 XWIIUCJEZGDDSJ-MRXNPFEDSA-N 434.606 5.095 30 20 IKED C[C@H](CC(=O)OCc1ccccc1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 753756839 SLYZGHYYAIBFEK-LJQANCHMSA-N 444.556 5.102 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccccc2SC(=O)N(C)C)cc1 756928625 DZZHQYUAPIDTCW-UHFFFAOYSA-N 431.517 5.685 30 20 IKED C[C@H](OC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 759053502 FFQUMELOKMJZNY-HNNXBMFYSA-N 447.882 5.085 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2sc(-c3ccccc3)nc2C(F)F)cc1 761312494 YSZANGBRBNMYIM-FQEVSTJZSA-N 445.494 6.655 30 20 IKED O=C(/C=C/c1csc(Cl)c1Cl)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 761479735 MUVNJMQZRMDIJN-ZZXKWVIFSA-N 429.268 5.287 30 20 IKED Cc1nc2scc(C3CC3)n2c1C=Nn1cnnc1SCc1ccc(Cl)cc1 764668140 XDSMKKRRPNYTOK-UHFFFAOYSA-N 428.974 5.001 30 20 IKED CCN(Cc1ccccc1)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)cc1 770102898 WDIYNNJYZMWSHT-OAQYLSRUSA-N 431.923 5.328 30 20 IKED CN1C(=O)CCc2cc(/C=C\C(=O)c3ccc(Br)cc3Br)ccc21 774122212 UTQVWOXZOVTNLQ-BAQGIRSFSA-N 449.142 5.017 30 20 IKED Cc1csc(SCc2c(C(=O)Nc3ccccc3O[C@H](C)C#N)oc3ccccc23)n1 780166531 XZZJDUAKVHMQOX-OAHLLOKOSA-N 449.557 6.033 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)c2cc(Br)ccc2n1 780303231 UTTTVCWZDKNCJB-GOSISDBHSA-N 446.304 5.301 30 20 IKED CC[C@H](C#N)OC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(OC)c1OC)CC2 781128708 MHCJJIXFIRHJLM-QRURKXGXSA-N 428.488 5.198 30 20 IKED Cn1nc(C(F)(F)F)c(C=NNc2nc3cc(C(F)(F)F)ccc3s2)c1Cl 781592494 FYSVSYFUCLRMKO-UHFFFAOYSA-N 427.761 5.167 30 20 IKED N#C[C@@H]1C(CN2CCCCC[C@H]2/C=C/c2cccs2)=CC(=O)n2c1nc1ccccc12 783030771 IIKGELJNQXSAPG-RTIYCVIDSA-N 428.561 5.243 30 20 IKED CCN(c1ccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1)C(C)C 783351466 GKVOJJQNWGLEPR-RUZDIDTESA-N 440.547 5.154 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(CC2CC2)C(=O)N[C@H]1c1scnc1C1CC1 783921513 BKRZFXNGAHNUHS-LJQANCHMSA-N 427.957 5.151 30 20 IKED C=CC[C@]1(C(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)CCCN1C(=O)OC(C)(C)C 790623635 QDCYYTGKJRRGQT-RUZDIDTESA-N 443.588 5.264 30 20 IKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)cc1C#N 799333896 LNOXQUIJQXOKBD-RUZDIDTESA-N 444.579 5.196 30 20 IKED CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)OC[C@H]2CC[C@@H](C#N)CC2)cc1 809089703 NAVCQQNSOCPIKI-HDICACEKSA-N 443.590 5.118 30 20 IKED C#C[C@H](NC(=O)C(=O)Nc1ccccc1SCc1ccccc1)c1ccc(Cl)cc1 810472003 AMMBLOQZCYZBRW-FQEVSTJZSA-N 434.948 5.062 30 20 IKED Cc1ccc([C@@H](OC(=O)c2ccc(Sc3ccccc3C#N)cc2)c2cncn2C)cn1 816319066 LNYYXWWOKTUFIN-XMMPIXPASA-N 440.528 5.093 30 20 IKED CC(=O)N(c1nc(COC(=O)c2ccccc2CC#N)cs1)c1c(C)cc(C)cc1C 849211157 GMGLHTORHDSYEX-UHFFFAOYSA-N 433.533 5.176 30 20 IKED N#C[C@@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)c1nc2ccccc2[nH]1 916844564 MMUOAHHAZGXKSO-FQEVSTJZSA-N 440.453 5.798 30 20 IKED Cc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cs2)cc1 916885710 AMXSFLLQDLZHNA-MRXNPFEDSA-N 443.500 5.394 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc(-c2cccs2)n1 916886887 JRCFDEKOSMIZOA-GFCCVEGCSA-N 435.502 5.147 30 20 IKED CCCCCOc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1 916902966 MMDLIEFMNPSWCW-SFHVURJKSA-N 428.916 5.187 30 20 IKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cnn1-c1cccc(Cl)c1 916931412 KINLAAMPSLVRPY-HNNXBMFYSA-N 447.709 5.102 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(C)nc3sccc3c2=O)c(C)c1 917580878 WKAOCNMMKDTQBO-UHFFFAOYSA-N 439.544 5.118 30 20 IKED CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc2ccccc2c1 917698853 JDTXIECTWUUCAM-HXUWFJFHSA-N 439.487 5.098 30 20 IKED COc1ccc(-n2c(C)cc(C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)c2C)cc1 920105911 MXFZCFKKFMAIMX-JOCHJYFZSA-N 425.488 5.098 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(OCC2CCCCC2)cc1 920108756 JFQDJJSFFWPMTK-XMMPIXPASA-N 432.564 5.732 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CSC3CCCC3)cc2)CCC1 1786348999 XHBGRJSPXUIYIS-QFIPXVFZSA-N 426.626 5.565 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)CCCC(F)(F)F)cc3)CCC2)cc1 1786621892 YHJLPMQAUJBFFY-UHFFFAOYSA-N 443.469 5.233 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCOc3ccccc3)cc2)CCC1 1787676825 HLOWMELFTMELML-XMMPIXPASA-N 432.564 5.358 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4nccc-4c3Cl)cc2)CCC1 1788480475 XDVZQOFFNKLOLQ-UHFFFAOYSA-N 448.954 5.109 30 20 IKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CC=C(C)CC4)cc3)CCC2)c1 1789115111 NKJJXGIEQRLEKJ-HXUWFJFHSA-N 443.547 5.061 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccn4cncc34)cc2)CCC1 1789361459 DJTNOWDREWCZKL-UHFFFAOYSA-N 430.552 5.074 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5cc[nH]c45)CCC3)cc2)cc1 1790289955 FKDGIBFDJJAOCE-UHFFFAOYSA-N 434.499 5.101 30 20 IKED CCCCCc1ncc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)C#N)CCC3)cc2)s1 1791075554 YOYBWRPHDZGXNO-UHFFFAOYSA-N 438.597 5.173 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)cc3F)CCC2)cc1 1791584356 LXYPFQWOVKUUQM-UHFFFAOYSA-N 436.527 5.164 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)[C@@H]1c1cccnc1 1802500515 ABAIGLQUYRFIIW-LUGTWXOSSA-N 439.644 5.296 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)C2)CC1 1805291774 PNVITJBWITZXLP-DHIUTWEWSA-N 440.603 5.153 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)Cc3ccc(C(C)C)cc3)CC2)C1 1805458724 VBJMGBDZJKBAGA-UHFFFAOYSA-N 436.640 5.352 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C3CC3)cc2)[C@H]1c1cccnc1 1811834393 FBAHKFNOFAGICU-LOSJGSFVSA-N 445.607 5.271 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)cc(C)c2)[C@@H]1c1cccnc1 1811878801 SSKMBSOVEZQTFQ-UPVQGACJSA-N 433.596 5.010 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)cc2F)n[nH]1 1814580946 HYXSCSBVHVVESA-UZLBHIALSA-N 444.938 5.277 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cc3ccccc3o2)n[nH]1 1818814195 YCFXONLECILSSW-FRFYRWIFSA-N 444.535 5.055 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)Cc2ccccc2)[nH]n1 1819309929 LEDVSYDPEDRNLQ-WPYKKVEZSA-N 434.584 5.049 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)[nH]n1 1821920730 KJHPZLDJIILOLC-BPRXJUMUSA-N 432.524 5.074 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)c(Cl)cc3C)CC2)C1 1823701189 CINRFTZUGIBEOW-JOCHJYFZSA-N 449.422 5.501 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C)c2F)CC1 1824137934 SIQIPDNKHPOJFA-HSZRJFAPSA-N 426.576 5.136 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](F)c2ccccc2)CC1 1824854540 FCNFUQPPLVIAHQ-BJKOFHAPSA-N 426.576 5.085 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 1829071289 RYMMEYXPVVUDRC-DSNGMDLFSA-N 436.640 5.402 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)CC1 1832800781 YKRMESFNVKJUMD-WLRLJWMZSA-N 442.566 5.187 30 20 IKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)c2cc3c(ccc4ncccc43)s2)C1 1844638753 VXACEXDZZMKQRS-UHFFFAOYSA-N 445.588 5.035 30 20 IKED C=CCC(=O)N1CCCC12CN(C(=O)c1ccc(C3CCCCC3)c(C(F)(F)F)c1)C2 1846377068 MUYFVTGKJJGLDP-UHFFFAOYSA-N 434.502 5.146 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1cc(C)c(C)cc1C)[n+]1ccccc1CC 10174303 QBKDJKQKYCKQIF-UHFFFAOYSA-O 431.625 6.075 30 20 IKED N#Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c3ccccc23)cc1Cl 21120219 PFAWAUSFEYNLCH-UHFFFAOYSA-N 430.920 5.553 30 20 IKED C=C(C)CN/C(S)=C(/C(=O)c1ccc(C)c(C)c1)[n+]1ccc(Cc2ccccc2)cc1 22796348 TYWSQNCHRSIZSR-UHFFFAOYSA-O 429.609 5.286 30 20 IKED C=CCn1c(SCC(=O)N2CCC[C@@H]3CCCC[C@H]32)nnc1-c1ccc(Cl)cc1 24142261 LUDCYSAQYFEJEA-QFBILLFUSA-N 431.005 5.058 30 20 IKED C=CCNC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 29811157 BTZOLHDXCKPQCC-SFHVURJKSA-N 430.508 5.226 30 20 IKED C=CCn1c(SCc2nc(C(C)(C)C)no2)nc2scc(-c3ccccc3)c2c1=O 45521452 VMURQXODBLATLZ-UHFFFAOYSA-N 438.578 5.284 30 20 IKED C=CCN(CCc1ccccc1)C(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 62484379 AVNNTUHXGHQMPF-OAQYLSRUSA-N 427.548 5.440 30 20 IKED CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 63296585 JCWNUURHJPFFEX-KRWDZBQOSA-N 439.943 5.227 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cccc(NC(=O)c2ccc(C)cc2)c1 63403000 QQEQXIDDOYUVHG-UHFFFAOYSA-N 438.531 5.017 30 20 IKED Cc1onc(-c2ccccc2)c1-c1nnc(CSc2nc3c(cc2C#N)CCCC3)o1 96995044 CEKOLDYIZSZQCJ-UHFFFAOYSA-N 429.505 5.138 30 20 IKED N#CCc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)c1 97393195 FZHQPVXEABXISV-UHFFFAOYSA-N 441.384 5.415 30 20 IKED CC(=O)c1ccc(Cl)c(Cl)c1OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 303254405 CUGAHGIHWCKHHA-LBPRGKRZSA-N 437.348 5.608 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@H](CCCO)c3ccccc3)cc2Cl)c1 303847022 JWQLPVNSOIYLHP-HSZRJFAPSA-N 449.938 5.426 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 429620925 JHNLAQHPORRXPQ-SFHVURJKSA-N 445.401 5.274 30 20 IKED COc1ccc(Br)c(CN(C)C(=O)Nc2ccccc2S[C@H](C)CC#N)c1 429761681 VAHHYEVLNGWLLN-CQSZACIVSA-N 448.386 5.516 30 20 IKED CCC1(CNC(=O)N[C@@H](CCCC#N)c2ccccc2)CCN(Cc2ccccc2)CC1 431451533 JRAGSBDWUKKYIN-VWLOTQADSA-N 432.612 5.413 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Nc1ccc(Oc2ccccc2C#N)c(F)c1 439670263 HYSRGRPGSDEJOA-SFHVURJKSA-N 431.511 6.361 30 20 IKED CN(C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)C1CCC(C)(C)CC1 440940803 YUNDYSYZCHAMSB-UHFFFAOYSA-N 441.519 5.077 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(Cc1ccccc1)[C@H](C)C(C)(C)C 441405950 LKPUKCZWOXRXQT-RBUKOAKNSA-N 437.609 5.340 30 20 IKED CN(CC(C)(C)C)C(=O)c1cccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c1 442671041 KJRDZYWBLBXCOA-FQEVSTJZSA-N 431.561 5.418 30 20 IKED CCN(CCC(C#N)(c1ccccc1)c1ccccc1)Cc1ccc(C(=O)N(C)C)cc1 444608962 MKTDFPYWUXYWPO-UHFFFAOYSA-N 425.576 5.110 30 20 IKED Fc1ccc(-c2nc(CN[C@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)no2)c(F)c1 444618144 ISZKCNQFHAZUBP-OAHLLOKOSA-N 437.290 5.427 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 446631201 KHPXZTHWIASFST-RDPSFJRHSA-N 441.600 5.667 30 20 IKED CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 462433973 ZEIJPZYPWDTXSN-GOSISDBHSA-N 430.464 5.170 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1 463143579 TYVOBOWENVQKON-UHFFFAOYSA-N 446.894 5.094 30 20 IKED O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccc(C(F)(F)F)c(F)c1 464722186 BVGJSOUDMHYUCH-UHFFFAOYSA-N 435.274 5.440 30 20 IKED CC1(C)[C@H]2OCCC[C@H]2[C@H]1NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 466128264 FYZUCNJSRFNWDE-WMQCIHAUSA-N 425.916 5.329 30 20 IKED CC(=O)c1ccc(C#N)c(N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1 469565001 HVLLGUZBIJISCA-LJQANCHMSA-N 442.359 5.376 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 469691672 RQEJHYRZJGNVGO-JKSUJKDBSA-N 427.545 5.891 30 20 IKED Cc1noc(-c2ccccc2)c1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 472024465 GRVIZUHXDBAQJS-UHFFFAOYSA-N 429.863 6.220 30 20 IKED N#C[C@@H](C(=O)c1ncoc1-c1ccc(F)cc1)c1nc(-c2c(F)cccc2F)cs1 473529366 WPOCLCONJKLHMM-ZDUSSCGKSA-N 425.391 5.372 30 20 IKED CN1CCC[C@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 476077952 HVDWVLXCGODBPX-DENIHFKCSA-N 443.513 5.319 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1nc(SCc2ccccc2)ns1 476499496 LJTLEZQKUHPZLK-RBUKOAKNSA-N 435.578 5.134 30 20 IKED Cc1sc([C@@H](C)NC(=O)c2cccc(SCC#N)c2)nc1-c1ccc(Cl)cc1 479206335 HGXLLQMTDUIMLJ-CYBMUJFWSA-N 427.982 5.879 30 20 IKED CCOc1cc(Br)ccc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 479303120 PRGKKUUJICSESR-IEBWSBKVSA-N 428.330 5.151 30 20 IKED CCC[C@@H](NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C1CCCCC1 484460949 UAXHLWMIRCUXJJ-RUZDIDTESA-N 447.579 5.135 30 20 IKED CC(C)NC(=O)Nc1cccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 490648516 MBVKZBGKEMJANB-UHFFFAOYSA-N 442.519 5.114 30 20 IKED CC(C)(C)n1cc(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cn1 496382600 VHVWZWZPRFPXMP-UHFFFAOYSA-N 448.474 5.220 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 502318231 NDADSJRUEJAAOA-HSZRJFAPSA-N 444.922 6.322 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1[C@@H](C)CC 504282641 VSXQZDMSFRKWEO-ROUUACIJSA-N 440.638 5.673 30 20 IKED COc1cc(CN(C)C(=O)N[C@@H](C)c2ccc(C#N)cc2)ccc1OCc1ccccc1 505326904 XJWMFCDKPZXOCP-IBGZPJMESA-N 429.520 5.048 30 20 IKED CC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)c12 505922799 LRYRPHXWLXTUNB-QGZVFWFLSA-N 428.414 5.237 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1 507829878 KFDHHBMHFJGHAD-INIZCTEOSA-N 435.911 5.760 30 20 IKED CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 510267133 LAAJGCFVAVSALZ-QGZVFWFLSA-N 445.544 5.737 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N(Cc3ccccc3F)C3CC3)c2)c1 511531765 MLKAIMKTENYORG-UHFFFAOYSA-N 428.467 5.146 30 20 IKED COc1ccc(CSCC(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1[N+](=O)[O-] 515449226 QXDYGQFBCMTSAP-UHFFFAOYSA-N 445.566 5.067 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)cc1 515649337 DPUBWZKPCKNHLW-UHFFFAOYSA-N 442.412 5.680 30 20 IKED Cc1ccc(-c2cc(C(=O)N[C@H](C#N)c3ccc(F)cc3)c3cnn(C(C)C)c3n2)cc1 515917131 ZVMWMJCMYRHQBR-HSZRJFAPSA-N 427.483 5.121 30 20 IKED N#Cc1ccc(CNC(=O)CSCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 520158939 YEGXVNAGPIPLEF-UHFFFAOYSA-N 447.507 5.250 30 20 IKED Cc1ccccc1-n1nc(C)c(CN(C)C(=O)Nc2ccccc2SC[C@H](C)C#N)c1C 521260243 AMTOMSVAMMZDSZ-QGZVFWFLSA-N 447.608 5.713 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cnc(OC)c(Cl)c1 533091346 LEINBFOKQQSWPP-UHFFFAOYSA-N 437.352 5.046 30 20 IKED COc1cccc(COc2cccc(NCc3nnc(-c4ccc(C#N)cc4)o3)c2C)c1 535896170 XLUPTDJCXFPBGH-UHFFFAOYSA-N 426.476 5.116 30 20 IKED C[C@@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 536815767 LUZVRLFXQYQEBZ-YADARESESA-N 447.966 5.800 30 20 IKED Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1ccccc1SC[C@H](C)C#N 538656076 UHODKQCKSXKTIG-GFCCVEGCSA-N 429.517 5.901 30 20 IKED Cc1cccc(F)c1NC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 539540228 OBJHJGCMFDEAIA-UHFFFAOYSA-N 425.300 5.269 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)CCCc2nc(-c3ccc(F)cc3)no2)cc1 540199878 WUZNRCSDJPNXOL-UHFFFAOYSA-N 440.478 5.053 30 20 IKED CC(=O)Nc1cccc(NC(=O)[C@@H](Sc2ccc(C#N)c(C(F)(F)F)c2)C(C)C)c1 542002621 FGTOUFNTMRTNFJ-IBGZPJMESA-N 435.471 5.291 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cnn(CCC(F)(F)F)c1 551521525 JCKHAFOOZQGKJM-UHFFFAOYSA-N 447.301 5.145 30 20 IKED Cc1coc(-c2ccc(C)c(NC(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)c2)n1 555008251 XDFBYWHSLWLUSZ-UHFFFAOYSA-N 425.448 5.661 30 20 IKED N#CCCC[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1)c1ccccc1 556624525 GAYFMYQCDLCTGZ-JOCHJYFZSA-N 433.458 5.122 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N(C)Cc1ccccn1 558985109 PAGSLDUTCQBFMF-UHFFFAOYSA-N 425.536 5.132 30 20 IKED C=CCn1c(-c2cc(-c3ccccc3)nc3ccccc23)nnc1N1CCC(CC#N)CC1 563415025 LDLXPBMMEPVDOJ-UHFFFAOYSA-N 434.547 5.476 30 20 IKED CN1[C@H]2CC[C@H]1CC([C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccc(Cl)cc1)C2 567743215 JRGPQHOKIONLKZ-HJOGWXRNSA-N 435.999 5.485 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H](Cc3ccc(C)cc3)C2)cc1 575206558 ZOGYWWPMMVICEN-HSZRJFAPSA-N 431.580 5.296 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3c4ccccc4CC34CCOCC4)cc2)c1 581279401 AYGARMOBPHSKIK-VWLOTQADSA-N 439.515 5.566 30 20 IKED C=CCN(CC=C)C(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 589299407 SXPODNQGNRHDGJ-UHFFFAOYSA-N 443.391 5.213 30 20 IKED Cc1cc(-c2cc(C(=O)N[C@@H](C#N)c3ccc(F)cc3)c3cnn(C(C)C)c3n2)c(C)o1 590639370 ZQQNIJYBRKIJTN-QFIPXVFZSA-N 431.471 5.023 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 603519056 BRWWZVMFYWZOJD-UHFFFAOYSA-N 445.523 5.059 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)c1 603726504 NQBXEVXDNMAXGW-UHFFFAOYSA-N 442.544 5.546 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NC[C@@H]3CCN(c4ccc(Cl)cc4)C3)c2)cc1 609129310 YKURDSBWKWWCFT-IBGZPJMESA-N 431.923 5.260 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@H](Nc4ccccc4)C3)cc2Cl)c1 609207615 ITNSALWKDXNWOH-QFIPXVFZSA-N 446.938 5.509 30 20 IKED CN(C)c1cccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 609807699 KMDYLAJNINAIGL-VWLOTQADSA-N 426.520 5.786 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)CN(Cc3cccnc3)c3ccccc3)c2)c1 609820428 XLINPPBHZSUQLB-UHFFFAOYSA-N 448.526 5.178 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(Oc2nccs2)c1 609906988 FMODUQVVSFMCFF-UHFFFAOYSA-N 428.473 5.555 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)N[C@@H](C)c1ccc(C#N)cc1 610019733 OZMLPXNGAMMXGP-INIZCTEOSA-N 427.483 5.442 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)c1C 610053765 NKECCGWUFDANET-MOPGFXCFSA-N 425.319 5.410 30 20 IKED N#Cc1cc(N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)nc2ccc([N+](=O)[O-])cc12 610246242 VATCYUGQSDEABL-GDNZZTSVSA-N 432.324 5.336 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 610325813 PWHRCFPRYLNDBG-KRWDZBQOSA-N 437.565 5.644 30 20 IKED Cc1coc(-c2ccc(C)c(NC(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c2)n1 610743160 DYNRAEUKXDHDAP-UHFFFAOYSA-N 425.448 5.661 30 20 IKED C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H]1COc2ccccc21 611109503 NZKJKTLHLAPIDE-HOYKHHGWSA-N 427.504 5.018 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)cc1 611262275 LBUCMSJIHHPDBG-UHFFFAOYSA-N 444.506 5.620 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cnc(Cc4ccccc4F)s3)cn2)c1 613889546 KGCCPTKEHDVPLR-UHFFFAOYSA-N 430.464 5.184 30 20 IKED COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2nc3ccccc3o2)c1 614439930 ZRAVEAXRVGFGFA-HXUWFJFHSA-N 434.455 5.179 30 20 IKED C=CCc1cc(CNC(=O)N[C@@H](c2ccccc2)c2ccc(OC)cc2)cc(OC)c1OC 622949152 BDZXATSNRRPLMP-VWLOTQADSA-N 446.547 5.030 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)nnc1-c1ccccc1F 645077409 WUIHAIJPUKPYHD-LBPRGKRZSA-N 434.899 5.182 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC2(CC1)OCc1ccccc12 670197347 AKUUXXMTZNAZKS-LJQANCHMSA-N 448.542 5.159 30 20 IKED O=C(Nc1ccc(OC(F)F)c(Cl)c1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674549239 BFOZWGRRXLQRKQ-YUMQZZPRSA-N 426.691 5.146 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(Cl)ccc2Cl)[n+]2cccc(C)c2)c1 726574005 XCAWZOQUBPNMFB-UHFFFAOYSA-O 440.375 5.894 30 20 IKED CC(C)(C)c1ccc(OCc2nnc(S)n2N=Cc2cccc(OCCCC#N)c2)cc1 726736220 DYIHAPNLDCZYKO-UHFFFAOYSA-N 449.580 5.008 30 20 IKED C[C@@H](C#N)Oc1ccc(/C=C/c2nc3ccccc3c(-c3ccccc3)c2CC(=O)O)cc1 728698902 BLVATJTZCMFUNF-XAVZPLJISA-N 434.495 5.990 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC([C@H](O)c4ccc(F)cc4)CC3)c2)cc1 731054780 LCBSLCSBBCLOPQ-RUZDIDTESA-N 430.479 5.075 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccsc1NC(=O)c1ccco1 731471256 NOPRMSRHOPZGNZ-UHFFFAOYSA-N 444.472 5.213 30 20 IKED COc1cccc2cc(C(C)=NNc3cc(C(F)(F)F)nc(-c4cccnc4)n3)oc12 733080272 IMHQSCGRARGWPT-UHFFFAOYSA-N 427.386 5.148 30 20 IKED CC(C)(C)OC(=O)N1CCc2cc(NC(=O)Nc3cccc(OCCCC#N)c3)ccc21 733632096 QZMFDFUKOBVPOG-UHFFFAOYSA-N 436.512 5.311 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)c1 734391649 JOEZSEIPZKNHFZ-QGZVFWFLSA-N 444.457 5.247 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1CN(C)C(=O)OC(C)(C)C 735881995 IUBXIXWCUBPIAS-UHFFFAOYSA-N 436.556 5.368 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc(Oc2ccccc2)ccn1 745947626 HIOHHJKCFCXLPV-GOSISDBHSA-N 439.443 5.150 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ccc(C(F)(F)F)cc2)cs1 746576332 MSFLTFKMSNSJAQ-UHFFFAOYSA-N 438.862 5.946 30 20 IKED CC(C)(CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc2c(c1)OCO2 746763584 YSQORYFUOHYULB-QFIPXVFZSA-N 427.504 5.170 30 20 IKED Cn1c([C@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)nc2ccccc21 747111834 ISAYFOAFTASVSR-OAHLLOKOSA-N 441.343 5.423 30 20 IKED Cc1ccc(C(=O)N[C@@H](CC(=O)[C@H](C#N)c2nc(C(C)C)cs2)c2ccccc2)cc1 747193364 ISJCJTXFCDYXGC-SFTDATJTSA-N 431.561 5.313 30 20 IKED CCCCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 748441836 BSTNIGKKHYDPMI-OAQYLSRUSA-N 448.567 5.291 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3cc4ccccc4o3)o2)cc1 749091981 MCRAWRLTZJCJHH-INIZCTEOSA-N 432.505 5.219 30 20 IKED N#C[C@@H](C(=O)C[C@H]1CSCCS1)c1nc(-c2ccc(Cl)cc2Cl)cs1 752476008 IXYOZECBCNDKLS-AAEUAGOBSA-N 429.419 5.532 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2csc(Br)c2)C2CC2)c1 752667181 HJUDPRHKVQOOJH-KRWDZBQOSA-N 448.386 5.066 30 20 IKED COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)Nc2ccc(F)cc2OCC#N)c1 752739222 PBPSPFLHRGUSLS-WIOPSUGQSA-N 445.494 5.499 30 20 IKED COc1ccc(/C=C(/C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1F 755609936 LPUGRCZVUAJMLH-JOHMGYAOSA-N 434.414 5.743 30 20 IKED COc1ccc(C2(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)CCC2)cc1OC 755611185 QFJCELKQBFXUET-OAHLLOKOSA-N 426.925 5.265 30 20 IKED O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccncc1)c1ncc(Br)s1 756842909 DQACVWKNCQAGGX-VOTSOKGWSA-N 437.322 5.049 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 758601620 GNSJBNZLMGPDMK-SQNIBIBYSA-N 446.617 5.238 30 20 IKED CNC(=O)C[C@@H]1SC(=Nc2cccc(C(C)C)c2)N(Cc2ccc(C(F)F)cc2)C1=O 764936552 BTYYDEZWNQOFAE-IBGZPJMESA-N 445.535 5.015 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 765451631 BHXZQZVRQVBUKO-QZTJIDSGSA-N 445.629 5.550 30 20 IKED Cn1ccnc1[C@@H](CCc1ccccc1)OC(=O)c1cn(CCCC#N)c2ccccc12 774131092 MIZJNIROXRXGAG-XMMPIXPASA-N 426.520 5.209 30 20 IKED Cc1ccc(NC(=S)Nc2ccccc2C#N)cc1Oc1ncccc1Br 790614819 LJNLLOFTWLAPJW-UHFFFAOYSA-N 439.338 5.625 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccsc2)N(Cc2ccsc2)C1=O)Nc1ccccc1F 790734768 CZDNBLNAFGLWSQ-KRWDZBQOSA-N 445.566 5.109 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)n1 796950428 XVZVPDAEQLPHIG-LBPRGKRZSA-N 431.533 5.822 30 20 IKED CC(=O)N1CCc2sc(-c3csc(=Nc4ccccc4)n3CC3(CC#N)CC3)cc2C1 797414562 ZFRKGWSTKFZKJT-UHFFFAOYSA-N 448.617 5.109 30 20 IKED CC(C)(C)C(=O)Nc1ccc(C2=NNC(=Nc3ccccc3C(F)(F)F)SC2)cc1 806674136 XPBNUAITHOCPNF-UHFFFAOYSA-N 434.487 5.418 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)O[C@H](C)c2ccc(C(F)(F)F)nc2)c1C(F)F 808955824 MZQQEZNIUCLEAK-SSDOTTSWSA-N 431.283 5.191 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2ccccc2C(F)(F)F)on1 812955479 JBCCLJKGTDVFSA-UHFFFAOYSA-N 436.393 5.109 30 20 IKED N#Cc1ncccc1COC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 813167925 FHDWHFVBYRBCBQ-ORBWHLTESA-N 446.391 5.119 30 20 IKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3cccs3)C2=O)cc1 837516720 GZZNCLBYTBFYPD-HXUWFJFHSA-N 435.574 5.217 30 20 IKED CC(C)(C)C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 915774518 AZBLRHCWUHRSQV-RPBOFIJWSA-N 439.559 5.574 30 20 IKED COc1ccc(CSc2nnc(SCCCOc3ccc(C#N)cc3)s2)cc1 915792476 GJRVGKQFGQNHQA-UHFFFAOYSA-N 429.592 5.272 30 20 IKED COc1cc(/C=C(/Cl)c2nc(O)c3c(-c4ccccc4)csc3n2)ccc1OCC#N 916155020 FIJUGSPCYAQBGI-GZTJUZNOSA-N 449.919 5.712 30 20 IKED Cc1ccc(-c2nnc(S)n2N=Cc2sc(Nc3ccccc3)nc2Cl)cc1 916306230 FISFYIWPFAAWJH-UHFFFAOYSA-N 426.958 5.278 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3sc4ccccc4c3Cl)c2)cc1 916449620 IFJMCJNACQJJLT-UHFFFAOYSA-N 432.932 6.452 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(Br)c2)n1)c1ccc2ccccc2n1 916849190 RCFCMGYDZBYCDB-GOSISDBHSA-N 448.345 5.540 30 20 IKED CC(C)c1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)nn1C(C)(C)C 916905302 KHVKXUYABAQTFN-IBGZPJMESA-N 444.535 5.515 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc2c(Cl)cccc2s1 916909668 QHXQVQCQWLSQMK-KRWDZBQOSA-N 446.915 6.308 30 20 IKED Cn1ccnc1COc1ccc(C(=O)/C=C\c2ccc(-n3cnc4ccccc43)cc2)cc1 917517296 CPPSQFFIMQZVQR-NVNXTCNLSA-N 434.499 5.234 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/Oc3cc(O)cc(C)c3C2=O)cs1 917560576 RQJWGARPVPWILK-QGMBQPNBSA-N 426.881 5.111 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(Cl)cc2Cl)cs1 917561304 ADKGHTXIJSLJLS-POHAHGRESA-N 431.344 6.339 30 20 IKED COc1cccc(-c2nc(/C=C3\SC(=S)N(c4ccccc4C#N)C3=O)cs2)c1 917644491 FZIBZYDCKALGCP-ZDLGFXPLSA-N 435.555 5.096 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1 917714118 WCNINVQJEUGYLT-UHFFFAOYSA-N 433.533 5.564 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)cc1OC 918609691 SGZJKWJPDATIFN-BENRWUELSA-N 431.536 5.280 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)CCN2c3ccccc3Sc3ccccc32)n1 920327626 XSEXTMMCNTXWCB-HNNXBMFYSA-N 449.557 5.189 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccc4scnc4c3)cc2)CCC1 1789340819 JHWLEQAEJQQEPZ-UHFFFAOYSA-N 441.503 5.255 30 20 IKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)c(C)o1 1790081732 GLRXIRPYFGKTGX-UHFFFAOYSA-N 447.922 5.483 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3c(Cl)cccc3OC)cc2)CCC1 1792145997 HGHNJIKAMIELSX-UHFFFAOYSA-N 438.955 5.290 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@]2(F)CCCC=C2F)[nH]n1 1814445837 XZIJZWAKIVACNX-GAJHUEQPSA-N 434.531 5.140 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccsc2)n[nH]1 1817522336 FUBOPDBUJWQHMA-IBGZPJMESA-N 428.602 5.089 30 20 IKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2occc2C)CC1)c1ccccc1 1827738319 PSQSERAIZCWPLO-LOSJGSFVSA-N 446.591 5.019 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCn2cccc2)CC1 1829038950 ASTMUSXMPABRON-LOSJGSFVSA-N 439.644 5.047 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(CC)cc2)cc1 10173527 NKNNRLQQKHCGBO-UHFFFAOYSA-O 439.551 5.818 30 20 IKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3F)n2)nc2ccccc21 11650463 HXSVMGNBCMBWMW-UHFFFAOYSA-N 438.553 5.795 30 20 IKED C=CCn1c(SCC(=O)c2sc3ccccc3c2C)nnc1-c1ccccc1OC 16659133 VKBXNFPOJVMSIJ-UHFFFAOYSA-N 435.574 5.638 30 20 IKED CCOc1ccc(Oc2ccccc2NC(=O)N(CCOC)Cc2ccc(C#N)cc2)cc1 58415793 ACBCGZOZLRKLAM-UHFFFAOYSA-N 445.519 5.430 30 20 IKED Cc1cccc(C)c1/N=C1\NC(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)s2)S1 71850515 RJCBQZQMYXWWIM-XDHOZWIPSA-N 435.530 5.832 30 20 IKED CCCOc1c(Br)cc(C(=O)Nc2cccc(OCCCC#N)c2)cc1OC 71975031 XVTFQUNQBAKWJE-UHFFFAOYSA-N 447.329 5.181 30 20 IKED C[C@H](C#N)Oc1ccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1 110651370 POODDIOTHVWWNN-YXHQGMJNSA-N 445.331 5.472 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(I)c3)n2)cc1 115130659 GIQUNZBQJDBTJQ-MRXNPFEDSA-N 444.297 5.213 30 20 IKED C=CCn1c(-c2sc(NC(=O)[C@H](CC)Sc3ccccc3)nc2C)n[nH]c1=S 303525046 QPEGNNNBPHTLAF-AWEZNQCLSA-N 431.612 5.068 30 20 IKED O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 410100901 MFDBNFQNGRTCPX-KGLIPLIRSA-N 425.388 5.861 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](C)c1cc(Cl)ccc1Cl 427496092 STBZFXBJBPOXBX-STQMWFEESA-N 436.364 5.061 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(OCc3ccccc3F)cc2)c1-c1ccccc1 428919040 WCUUKTMLVBIJKL-UHFFFAOYSA-N 440.478 5.434 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccccc1COC1CCOCC1 429057318 ZOMBLSBKNBCRBP-UHFFFAOYSA-N 442.515 5.607 30 20 IKED COc1cc(Cl)c(Br)cc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 429119174 ZURVJTONPBICSP-SNVBAGLBSA-N 433.611 5.015 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)N1CC[C@@H](CC(F)(F)F)C1 434207843 GZKRYEAFBNYGLU-VIFPVBQESA-N 436.368 5.869 30 20 IKED N#CCCn1cc(CNc2cc(Cl)ccc2OCC(F)(F)F)c(-c2ccncc2)n1 435128222 ZYJMDISFCZKLCX-UHFFFAOYSA-N 435.837 5.065 30 20 IKED Cc1nc2cc(Cl)c(NC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc2s1 435172447 WPGRSVCWOAFBJX-UHFFFAOYSA-N 426.929 5.205 30 20 IKED CC(C)n1nc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c2ccccc2c1=O 437460944 IDQVLYRZLYWKBJ-UHFFFAOYSA-N 442.450 5.033 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 438664862 NQPRCLOSRAMROD-UHFFFAOYSA-N 430.439 5.816 30 20 IKED CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 438957911 SECUYGFEBNTBIJ-UHFFFAOYSA-N 443.478 5.350 30 20 IKED C=CCC[C@H](NC(=O)Nc1cccc(NC(=O)[C@H](C)OC)c1)c1ccc(C(F)(F)F)cc1 442204340 BFTVVKZHFGWJEB-YWZLYKJASA-N 449.473 5.508 30 20 IKED N#Cc1c(NC(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)sc2c1CCC2 443811254 CIYYIRKOUFYWEN-UHFFFAOYSA-N 430.464 5.217 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@H]1CCCN(c2ncnc3sccc23)C1 443860400 UCYAJDBUNZJNFX-INIZCTEOSA-N 445.573 5.147 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(-c4ccccc4OC(F)(F)F)o3)[nH]c12 444453123 GIXYMMIXPRFSAH-AWEZNQCLSA-N 425.366 5.520 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@@H](C)c2ccc(Br)s2)c1C#N 445566221 XJALKKFPAXKFAH-NSHDSACASA-N 447.383 5.032 30 20 IKED CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 463166884 AMEIIPWCEFKQFV-OLMNPRSZSA-N 430.599 5.014 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)Nc1ncccc1OCCCC#N 466609714 JIIFWAJLWWHKQA-QGZVFWFLSA-N 435.553 5.421 30 20 IKED N#Cc1ccc(NC(=O)N2CCc3c(Br)ccc(Cl)c3C2)c(Cl)c1 467442569 NCFUIHQGVWBKTO-UHFFFAOYSA-N 425.113 5.218 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCO[C@@H](c3ccsc3)C2)cc1 467853052 PJYZSWIYNMHMOU-JOCHJYFZSA-N 435.505 5.026 30 20 IKED N#Cc1c(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)sc2c1CCCCC2 468549961 XWVDFOJAYBOPSF-UHFFFAOYSA-N 442.587 5.035 30 20 IKED CC(C)c1ccc(CN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C2CC2)cc1 470556294 NQWGUCHFNSUDPF-UHFFFAOYSA-N 444.579 5.589 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CNC(=O)c1sc2ccccc2c1Cl 474152925 JJTBQWKXOBIJPT-ZDUSSCGKSA-N 443.981 5.175 30 20 IKED CC[C@]1(C)Oc2ccc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)cc2O1 474653035 ZYMUFVKFPSBPIW-RUZDIDTESA-N 430.508 5.230 30 20 IKED C[C@H](Oc1cccnc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccccc1 475086881 MLRYGJISZJBFCP-IBGZPJMESA-N 442.519 5.169 30 20 IKED CC[C@H](NC(=O)NCCCCC#N)c1ccccc1OCc1ccccc1Br 477363553 HGYBKGIYNFMLKH-FQEVSTJZSA-N 444.373 5.472 30 20 IKED Cc1cc(F)cc(Br)c1OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 478822265 CTARXJTVENPQIM-ZDUSSCGKSA-N 437.334 5.308 30 20 IKED CCc1c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cnn1C(CC)CC 479633056 NDOGHTCQSGKYDX-UHFFFAOYSA-N 440.598 5.074 30 20 IKED Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)o1 480288790 IHBPJKQCNBMKME-GAJHUEQPSA-N 442.519 5.717 30 20 IKED Cn1cc([C@H](NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c2ccc(F)cc2)cn1 480553836 MQNJGMNFMJHPKP-XMMPIXPASA-N 441.466 5.134 30 20 IKED Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 481713948 SCOUDKNXKTWOCE-XMMPIXPASA-N 429.495 5.954 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)c2)cc1 482249510 VYCAGLAZCXXJEO-UHFFFAOYSA-N 449.514 5.588 30 20 IKED C=CCc1ccc(OCC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)c(OC)c1 483247914 TVEYXWQZHRTMRR-UHFFFAOYSA-N 430.504 5.002 30 20 IKED CC(C)c1c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cnn1-c1ccccc1 489435805 MRWQJWIGNAFDEX-UHFFFAOYSA-N 426.476 5.292 30 20 IKED C=CCN(C(=O)c1ccn(C)c(=O)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 490436039 RCLLOADLDMGNTC-UHFFFAOYSA-N 427.529 5.009 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2c(F)cc(F)cc2F)cc1Cl 497542518 QGFLJODOPXDTEP-MRXNPFEDSA-N 436.842 5.214 30 20 IKED Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc1NC(=O)c1ccccc1 499410054 YGIITNQOTNMYQU-NRFANRHFSA-N 448.320 5.005 30 20 IKED CN(C)CCCC1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 500203789 XWKLLVGOPGFEGH-UHFFFAOYSA-N 425.960 5.198 30 20 IKED C/C=C/c1ccc(OCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(OC)c1 501468384 RMNUXAKNGIVQHP-HWKANZROSA-N 442.515 5.391 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 502651765 IPQLBUIJYYAIPV-UHFFFAOYSA-N 427.464 5.302 30 20 IKED C[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(F)c1)c1nc(C(F)(F)F)cs1 504964767 COQXJERVNNKJPT-SSDOTTSWSA-N 431.333 5.125 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)NCC1(c2ccc(Cl)cc2)CCCCC1 505105850 WPORRFDFVZQNCP-UHFFFAOYSA-N 426.992 5.018 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OCc4ccccc4)nc3)n2)cc1 508198860 ZDKWHJXIOFHFFW-OAQYLSRUSA-N 436.496 5.146 30 20 IKED CSc1cc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c(Cl)cc1Cl 508409087 BLTBGNCOMBGDHO-UHFFFAOYSA-N 436.364 5.102 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)c2cc(F)ccc2F)CC1 508464285 LTVNWLDFRLGVBI-UHFFFAOYSA-N 442.897 5.162 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H]2CCCc3ccccc32)cc1 511364583 PJQXVLZYOKWQLW-JOCHJYFZSA-N 425.532 5.573 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3nn(-c4ccccc4)c4c3CCC4)c2)c1 513644763 YTZHKRMJUGSRLX-UHFFFAOYSA-N 434.543 5.101 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccn(Cc2ccccc2)c1 514223889 UOVJVTJBBAYXDP-UHFFFAOYSA-N 429.467 5.813 30 20 IKED COc1ccccc1-c1nnc(Sc2ccc(C#N)cc2[N+](=O)[O-])n1-c1ccc(C)cc1 515164299 YJVIQILACYHQAI-UHFFFAOYSA-N 443.488 5.182 30 20 IKED C=CCN(C(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1)c1nc(-c2ccccc2)cs1 515608992 PBSUGSJQXCJAPQ-MRXNPFEDSA-N 437.590 5.468 30 20 IKED C=CCOc1cccc(NC(=O)C(=O)N[C@H](c2ccc(CCC)cc2)c2cccs2)c1 516737368 UPBXMOKJMNGKQK-HSZRJFAPSA-N 434.561 5.110 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N(Cc2cscn2)c2ccccc2)cc1 517484466 NJSAROOYSFCFBF-UHFFFAOYSA-N 425.513 5.441 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC3(c4ccc(F)cc4)CCOCC3)cc2)cc1 517605811 AXOUFNOVILAKSM-UHFFFAOYSA-N 430.479 5.120 30 20 IKED CCCC(=O)Nc1cccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c1C 518013615 NJUCWKOSWATJHF-INIZCTEOSA-N 438.597 5.375 30 20 IKED Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 518018894 DWEVNYVMUJGNHM-UHFFFAOYSA-N 426.501 5.354 30 20 IKED C[C@@H](c1ccccc1F)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 518104556 FOEKLAMVLDSGGJ-KKSFZXQISA-N 449.913 5.293 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC[C@@H]1c1ccccc1 518674992 VQRXYAPBDGONCP-GOSISDBHSA-N 447.482 5.013 30 20 IKED CCN(C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@@H](C)c1ccc(F)cc1 518748554 ZFPSBANCJYBSSE-KRWDZBQOSA-N 431.467 5.038 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC 519052910 OTTLDJOVGDRQNH-QHCPKHFHSA-N 443.503 5.737 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCN(C(=O)Nc4ccccc4)CC3)cc2)cc1 520557826 PQANXYRUURCRDM-UHFFFAOYSA-N 440.503 5.233 30 20 IKED COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 521493636 GHCRDIICLOHGCY-INIZCTEOSA-N 432.501 5.256 30 20 IKED CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C(C)C)cc1 524433109 NARWYSZIJBOTJU-YCRPNKLZSA-N 443.494 5.125 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC(Oc4ccc(F)cc4)CC3)cc2)cc1 524533970 YFUNMUSTZUDWDT-UHFFFAOYSA-N 430.479 5.368 30 20 IKED C[C@@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)c1nc(Cc2ccccc2)no1 525045988 SNBKGHNOOJHFCB-OAHLLOKOSA-N 428.517 5.529 30 20 IKED C=CCn1c(SCC(=O)Nc2cc(C)ccc2O)nnc1-c1ccc(Cl)cc1Cl 535419377 FSZPUWYLBZZUDY-UHFFFAOYSA-N 449.363 5.183 30 20 IKED CN(C)C(=O)c1cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)ccc1F 536394211 GHZFYXLKVMKHGB-UHFFFAOYSA-N 437.858 5.097 30 20 IKED N#CC1(CCCNc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)CCOCC1 537507617 KYYAZRSURGZICM-UHFFFAOYSA-N 449.448 5.609 30 20 IKED C=CCC[C@H](NC(=O)N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1)c1ccccc1 549166416 JNKDXAIGWXNJDT-QPPBQGQZSA-N 434.584 5.246 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCOc4cc(O)ccc4C3)cc2Cl)cc1 557451958 JODHKVLRFCCMAF-UHFFFAOYSA-N 435.867 5.136 30 20 IKED N#CCCN(C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccc(F)cc1 558144718 LICLICIMKAQDJV-UHFFFAOYSA-N 433.430 5.457 30 20 IKED C=C(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@@H](c2ccsc2)C1 558964776 IJTPDWGIHSDFJI-JOCHJYFZSA-N 431.565 5.017 30 20 IKED CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1Br 561868941 BKHOEAMHWONGOE-UHFFFAOYSA-N 427.220 5.136 30 20 IKED N#CC1(c2ccccc2)CCC(NCc2cccc(-c3nc(CC(F)(F)F)no3)c2)CC1 562090130 BPVUCHATQHBIQC-UHFFFAOYSA-N 440.469 5.335 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](C)[C@@H]1c1cccc(F)c1 575369638 YRBPZSIPQJWDAR-ABQRKTDGSA-N 432.543 5.436 30 20 IKED CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)C(=O)N[C@H](C)c1cccc(C#N)c1 587700996 DTTQFQNKTYFJKC-QGZVFWFLSA-N 449.551 5.040 30 20 IKED Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)NCc2ccc(C#N)c(Cl)c2)cs1 589515873 QAGXOASOQPDBST-UHFFFAOYSA-N 427.932 5.377 30 20 IKED Cc1cc(C)n(-c2ccc(CC(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cc2)n1 603670874 FGVDAOUVORHQHO-UHFFFAOYSA-N 436.515 5.121 30 20 IKED CC(C)N(C)CC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 603830879 HSZAHAVYYCIJEE-QHCPKHFHSA-N 439.003 5.580 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 603934541 HDYUQPNIBZZJLN-OAQYLSRUSA-N 448.954 5.268 30 20 IKED CCOc1ccc(CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C(C)C)cc1 604495294 ONPUVLIHTAUOHH-UHFFFAOYSA-N 434.565 5.447 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1 609370948 LUCPLZRQBYDBSD-INIZCTEOSA-N 449.605 5.270 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1 609377589 YMAHJEJXLHJHNM-KKXNLOMOSA-N 427.614 5.132 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 609377922 RSTPRYDKMHDPMJ-LBPRGKRZSA-N 434.011 5.958 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c(C(F)(F)F)c1 609963659 APJLTLZNCLQQLT-UHFFFAOYSA-N 425.813 5.225 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 610045825 UBWLBAMTSOIHDP-PMERELPUSA-N 439.499 5.570 30 20 IKED Cc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 610224947 NDQXNZZKOXXCJE-UHFFFAOYSA-N 434.293 5.134 30 20 IKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)N[C@H](C)c1cccc(C#N)c1)CC2 610406468 BAVRVQSMBLBSLW-GYCJOSAFSA-N 447.560 5.055 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)N1CCC[C@](C)(C#N)C1 612312937 SPZVZEIWGKIPOM-RUZDIDTESA-N 433.531 5.889 30 20 IKED N#C[C@H](C(=O)c1ccc(COc2ccc(F)cc2)o1)c1nc2cc(Cl)ccc2s1 613403776 SRDHRADRRNIGMX-MRXNPFEDSA-N 426.856 5.751 30 20 IKED N#C[C@H](C(=O)c1ccc(CN2CCCCC2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 613404455 NQYJSYFGSUSYEM-GOSISDBHSA-N 443.494 5.791 30 20 IKED CC(C)(C#N)c1ccc(CN2CCC(C(=O)Nc3cccc(Br)c3)CC2)cc1 614173461 WQAPJRMXJHLBIU-UHFFFAOYSA-N 440.385 5.101 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCC(=O)CCC(=O)c1cccs1 615806884 KVHVGVIHDTZIHU-UHFFFAOYSA-N 447.516 5.066 30 20 IKED C=CCC[C@H](NC(=O)NC1(c2noc(C(F)F)n2)CCC1)c1ccc(C(F)(F)F)cc1 644198419 VQQWCHOLTFSGKD-AWEZNQCLSA-N 444.404 5.412 30 20 IKED Cc1ccccc1[C@]1(F)CCN(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C1 669759527 ILKCRAIYOWKUQE-LBTNJELSSA-N 440.403 5.485 30 20 IKED COc1ccc(COCc2cccc(NC(=S)Nc3ccc(C#N)c(Cl)c3)c2)cc1 726481612 CQKCABQUSGNDIZ-UHFFFAOYSA-N 437.952 5.746 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2sc3ccccc3c2C)[n+]2cccc(C)c2)c1 726572795 PBFQTFMLVFPTAN-UHFFFAOYSA-O 441.601 6.110 30 20 IKED N#Cc1cccc(COc2ccc(NC(=S)Nc3ccc4c(c3)OC(F)(F)O4)cc2)c1 727980959 WYAUTMKNMNJUIP-UHFFFAOYSA-N 439.443 5.268 30 20 IKED CC(C)(C)c1csc(C2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)n1 728919256 WXZYBRLHEQGNTQ-UHFFFAOYSA-N 442.654 5.071 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)/C=C/c2ccccc2C#N)c(C(F)(F)F)c1 729655830 VNWBSHAAWNKVCC-DHZHZOJOSA-N 431.414 5.576 30 20 IKED COc1cc(F)c(NC(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC 730503923 ISKPQMRLPKHBNJ-ARJAWSKDSA-N 437.311 5.532 30 20 IKED Cc1csc([C@H](C#N)C(=O)[C@H](Oc2ccc(Br)cc2F)c2ccccc2)n1 730686344 OFKITHZGJNGBPL-DNVCBOLYSA-N 445.313 5.350 30 20 IKED COc1cc2ccccc2cc1C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731063632 QWNCZZIYGKEFOG-MRXNPFEDSA-N 434.517 5.038 30 20 IKED CN(C)C(=O)Sc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 731418732 GVBTVIMDEQLVKZ-UHFFFAOYSA-N 431.517 5.163 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 732494235 ITPNDGMMXHIHHT-QHCPKHFHSA-N 433.467 5.540 30 20 IKED N#Cc1cccc(COc2ccc(NCc3nc(CCc4ccccc4)no3)cc2F)c1 743064421 JKIOATPNJIXTQR-UHFFFAOYSA-N 428.467 5.057 30 20 IKED C#CCOc1ccc(NC(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 743152498 XAMAUWXTIDWEJL-UHFFFAOYSA-N 431.439 5.163 30 20 IKED O=C1CCc2cc(N=Cc3cc([N+](=O)[O-])ccc3O)ccc2N1Cc1ccc(Cl)cc1 743538506 MKUGCGLHFFINDV-UHFFFAOYSA-N 435.867 5.184 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C)c(NC(=O)OC(C)(C)C)c3)n2)cc1 744031010 HRGQMTNQLVVWII-LJQANCHMSA-N 447.560 6.264 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)OC(=O)c1ccc(C#N)nc1 744319867 KPJVKBLGMQVICU-LBPRGKRZSA-N 428.311 5.066 30 20 IKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2ccc(N3CCCCC3)s2)cc1 744807287 UGHJWWZGPGCEFA-UHFFFAOYSA-N 441.626 5.203 30 20 IKED Cc1ccc2c(CCC(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c[nH]c2c1 745947846 PNZBLRNJVAAGAF-GOSISDBHSA-N 427.476 5.071 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@H](C)c1ccccc1NC(=O)c1ccccc1 748021114 SPXNAHIUPVKXOR-CLOONOSVSA-N 442.515 5.518 30 20 IKED CN(C)C(=O)Sc1ccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1 748310562 PVLBKKZZDWJOMI-UHFFFAOYSA-N 433.558 5.735 30 20 IKED C[C@H](SCc1c(F)c(F)c(F)c(F)c1F)C(=O)Nc1ccccc1OC(F)F 750291454 JKJXUDQMEHJODD-ZETCQYMHSA-N 427.341 5.244 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(C2CC2)[C@H]2CCCc3ccccc32)ccc1OC 751094183 JZFUQZVPYMPACS-GMAHTHKFSA-N 433.552 5.128 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C 753911138 SKTRIKZOKJSTNB-UHFFFAOYSA-N 432.524 5.076 30 20 IKED COC1CCC(CC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)CC1 758511415 TXDXMJHQRFUTSD-UHFFFAOYSA-N 437.487 5.158 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 760971244 NSHDPWNTJKIASI-UHFFFAOYSA-N 432.480 5.149 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1c[nH]c2cccc(F)c12 763347349 ZFXQDNGPAMIBIC-UHFFFAOYSA-N 436.899 5.589 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccc([N+](=O)[O-])c1 763944913 PHYDGIDGRUFUSV-BDJLRTHQSA-N 446.315 6.005 30 20 IKED CCOc1ccc2c(c1)[C@H](NC(=O)Nc1ccc([C@H](C#N)c3ccccc3)cc1)CCO2 775489656 WTUCMTCSGHDMSN-DNQXCXABSA-N 427.504 5.386 30 20 IKED Cc1nn(C)c(C)c1[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(F)(F)F 777564485 GXPOGLHJQROUQV-FPOVZHCZSA-N 441.457 5.118 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 778256177 IHAQCRSHZJTIHA-NRFANRHFSA-N 434.883 5.268 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3ccccc3O[C@@H](C)C#N)cc(-c3ccccc3)nc21 780158438 LICXNXDLKPVVMX-KRWDZBQOSA-N 425.492 5.222 30 20 IKED N#Cc1ccc(CNC(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)nc1 781056774 XFJVGDJNSFMQLX-UHFFFAOYSA-N 433.920 5.575 30 20 IKED Cc1cc(Br)c2oc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc2c1 783076368 IXORJGNFCZELRQ-CQSZACIVSA-N 431.673 5.118 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)C1(Cc2ccccc2Cl)CC1 784272144 CZBSDLJYCAUAHN-MRXNPFEDSA-N 442.968 5.096 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(Cc1cccc2ccccc12)C1CCCC1 784398792 UZUAQCDIEYFCIV-LJQANCHMSA-N 441.531 5.041 30 20 IKED CCCCOc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1 789156934 HGAQIRNEKXRTTP-XNTDXEJSSA-N 434.561 6.211 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F 789889236 LCOWZNJVZMWSBE-QFIPXVFZSA-N 448.510 5.927 30 20 IKED Cc1nc(SC(F)F)sc1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 793044412 QXUGLXHVECSSHC-QGZVFWFLSA-N 429.517 5.603 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12 796635327 LCLVURCFEMIQQI-NRFANRHFSA-N 443.503 5.456 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 815907588 FDTIALUFFBHVHM-CQSZACIVSA-N 432.785 5.580 30 20 IKED O=C(N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)[C@@H](F)c1ccc(C(F)(F)F)cc1 857500148 MGOMJBOCCSCOQX-CABCVRRESA-N 443.746 5.238 30 20 IKED C=CCn1c(S)nc2cc(C(=O)N(C)[C@H](C)c3ccc(Cl)c(Cl)c3)ccc2c1=O 914479641 HFDULXPYPAMRNR-GFCCVEGCSA-N 448.375 5.011 30 20 IKED COc1ccc(C(C)=NNc2ncccc2C(F)(F)F)cc1CSc1ncccn1 915050479 RTWOMCAFUQUSGZ-UHFFFAOYSA-N 433.459 5.027 30 20 IKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccco1 916217964 ZAPFUJATTLWPSQ-FQEVSTJZSA-N 433.533 5.057 30 20 IKED Cc1ccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1[N+](=O)[O-] 916272742 JYVRHNLYKCCJFP-UHFFFAOYSA-N 438.896 5.186 30 20 IKED COc1ccc(C(=O)/C=C/c2c(C)nn(-c3ccc(Cl)cc3)c2Cl)cc1CC(=O)O 916546928 ORNGHQIODLIAHK-CMDGGOBGSA-N 445.302 5.019 30 20 IKED C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1 916702998 CMRZMQQJETWPAT-UHFFFAOYSA-N 436.433 5.064 30 20 IKED Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1 916847727 UQAKSDIJAOBHFQ-MAUKXSAKSA-N 449.576 5.351 30 20 IKED N#C[C@@H](C(=O)CCCc1c[nH]c2ccccc12)C(=O)Nc1ccc(SC(F)F)cc1 916883032 FKFBJGHZVFHDGP-SFHVURJKSA-N 427.476 5.153 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cccc(F)c3c2COC)cc1 916916354 XLHMOJPOEAXCBK-KRWDZBQOSA-N 438.524 5.491 30 20 IKED N#C[C@@H](C(=O)COc1ccccc1C(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 917043210 IUBOKOWDAYHKRY-NSHDSACASA-N 444.356 5.589 30 20 IKED Cc1nc2sccc2c(=O)n1N=Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 917580477 KLNNBXCYAOJXBK-UHFFFAOYSA-N 440.868 5.003 30 20 IKED O=C(/C=C\c1ccccc1OC(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918686156 VBWKCQMUSXDCCW-GKKDLHFNSA-N 435.286 5.188 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cccc(N2CCOC2=O)c1 920977942 QWPGSJAFZHAHNN-QGZVFWFLSA-N 442.475 5.190 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(OCC(F)(F)F)cc2)c(Br)cc1O 921268429 AYFQDLOKQPWYOQ-QPJJXVBHSA-N 431.204 5.001 30 20 IKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)no3)CCC2)cc1 1786394460 YHVIYXJFSRPNPR-JOCHJYFZSA-N 449.576 5.044 30 20 IKED Cc1cscc1C(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)c(C#N)c3)cc2)CCC1 1790520528 BZCQAOXANVTYCQ-UHFFFAOYSA-N 447.535 5.058 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C)cc3Cl)cc2)CCC1 1792112135 XOZHKAGRSYBNJW-KRWDZBQOSA-N 441.959 5.197 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccoc4)CCC3)cc2)c1 1792122654 DQDUNMWKXAKVFB-SSGOSMAHSA-N 439.515 5.368 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccc(Cl)cc2[nH]1 1792466666 KFRADKDFQSNQOU-REPLKXPHSA-N 427.976 5.066 30 20 IKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1812221365 KIEYZMDEBLVYJG-XZOYJPPVSA-N 447.604 5.137 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(C)cc2)[nH]n1 1819309742 HSPGKQPKPRHQCU-FYYLOGMGSA-N 434.584 5.111 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(Cl)cccc2Cl)n[nH]1 1820435437 XAOLKRWHCOBGKS-SFHVURJKSA-N 447.366 5.216 30 20 IKED CC1(C)CCC(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)CC1 1820977987 CROPRCNRLBUAQA-QFIPXVFZSA-N 447.583 5.194 30 20 IKED N#CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCCCCCCc2ccccc2)n[nH]1 1823461818 YTRFZQUHQJKUAR-QHCPKHFHSA-N 449.599 5.289 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cnccc3c2)CC1 1828204381 HALAACSIGVTDRD-RUZDIDTESA-N 447.623 5.461 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3cc(C)[nH]c23)CC1 1828213519 WFAMFTGRTXZKNL-DEOSSOPVSA-N 449.639 5.702 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cccc(C)c2)cc1 11269301 CERWSVKCHLPACA-UHFFFAOYSA-O 425.524 5.564 30 20 IKED N#CCc1ccc(OC[C@@H](O)Cn2c(Cc3cccc4ccccc34)nc3ccccc32)cc1 14288725 VJSHPFHZWSDHSX-DEOSSOPVSA-N 447.538 5.286 30 20 IKED C[C@@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 16825031 IPNUVCYZJPCZHG-FIFPYPGSSA-N 445.544 5.020 30 20 IKED C=CCOc1ccc(C=C(C(=O)Nc2ccccc2C)C(=O)Nc2ccccc2C)cc1 20916275 LASMIZCSKLFXDX-UHFFFAOYSA-N 426.516 5.529 30 20 IKED C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 21550914 GRBBBXUCFGXGRD-MRVPVSSYSA-N 431.892 5.295 30 20 IKED Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)cc2)n1 61193959 WRLKDADKPFEFOU-UHFFFAOYSA-N 436.515 5.773 30 20 IKED C=CCn1c(-c2sc(NC(=O)c3ccc(SC(C)C)cc3)nc2C)n[nH]c1=S 108064411 XLYJOVZBSODCDJ-UHFFFAOYSA-N 431.612 5.311 30 20 IKED O=C1/C(=C\c2cn3cc(Cl)ccc3n2)CSC/C1=C/c1cn2cc(Cl)ccc2n1 195683901 YVFKRKZLRPVLQO-GFIWHYBVSA-N 441.343 5.072 30 20 IKED N#C[C@H](C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nc2cc(Cl)ccc2s1 216009831 YYEGERWQWTZNJZ-CYBMUJFWSA-N 440.893 5.471 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 303287326 LSGHOKGSZOWZEU-GOSISDBHSA-N 439.544 5.438 30 20 IKED C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)Nc1cccc(OCCCC#N)c1 426146538 WNRCTRAJEOGBIW-HNNXBMFYSA-N 425.941 5.690 30 20 IKED Cc1sc(CNC(=O)N[C@H](CCCC#N)c2ccccc2)nc1-c1ccc(Cl)cc1 431849345 RCVVYLDCACPIRM-HXUWFJFHSA-N 438.984 6.006 30 20 IKED N#C[C@@H](C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1)c1nc2ccccc2n1C(F)F 437368621 BKYVBYKZIQCKIC-KRWDZBQOSA-N 446.388 5.869 30 20 IKED N#CCC[C@@H](NC(=O)c1oc2ccccc2c1CSc1ncccn1)c1ccccc1 439665040 QFKBAESLOOYPPU-HXUWFJFHSA-N 428.517 5.290 30 20 IKED CCCc1c(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cnn1-c1cccc(C#N)c1 440086063 DHLYCTBXJZIFJD-UHFFFAOYSA-N 449.514 5.201 30 20 IKED CCOc1c(Br)cc(CNCC2CCC(C#N)CC2)cc1Br 441388544 SACVNKHLVHCLQD-UHFFFAOYSA-N 430.184 5.030 30 20 IKED C[C@@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1cccc(OC(F)(F)F)c1 441423440 SIXJMCBCVWRXFF-SECBINFHSA-N 438.290 5.173 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4c(C(C)C)nn(C)c4s3)n2)cc1 442865198 SQZMYHAWSUWMMK-MRXNPFEDSA-N 436.562 5.380 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)c1C#N 445562474 DDTNEEPLBOAPMF-CVEARBPZSA-N 442.466 5.227 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)c1cc(O)nc2ccc(F)cc12 460150215 KJDDGWMVPRGHSU-UHFFFAOYSA-N 431.854 5.452 30 20 IKED COCc1ccc([C@@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)o1 461477765 GKBVBIPNYJOWBE-NRFANRHFSA-N 445.548 5.007 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(-c3cc[nH]n3)c2)cc1 466888480 XNWWDTWYBHAIME-UHFFFAOYSA-N 425.467 5.322 30 20 IKED C[C@@H]1C[C@@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CN1Cc1ccccc1 467694251 FHDVAKXDEPMJIM-HYBUGGRVSA-N 441.600 5.243 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)n1 467821010 AOUACEXZNIKGMK-HNNXBMFYSA-N 429.910 5.654 30 20 IKED C=CCOc1ccc(CN(C(=O)c2cccc(COC3CCOCC3)c2)C(C)(C)C)cc1 467871261 KOZPVGMXZFXOGI-UHFFFAOYSA-N 437.580 5.388 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)C3(c4ccc(C#N)cc4)CC3)C2)n1 470416689 YCPIBJSFTLWFDC-LJQANCHMSA-N 443.572 5.128 30 20 IKED CC(=O)Nc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc(C(F)(F)F)c1 472395261 FQDBMUMNEZZHSJ-QGZVFWFLSA-N 429.423 5.277 30 20 IKED CS(=O)(=O)c1cc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)ccc1Cl 472768136 IVFXNHYPVPCRBR-UHFFFAOYSA-N 442.949 5.019 30 20 IKED Cc1nc(CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)oc1-c1ccc(Cl)cc1 473590607 QJYOTVZFEXWYJA-UHFFFAOYSA-N 444.878 5.292 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)Nc2cccc(N3C(=O)CCCC3=O)c2)cc1 473647955 IVRUAPSHWDUOGV-UHFFFAOYSA-N 441.512 5.005 30 20 IKED N#CC[C@@H](CC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1)c1ccccc1 474909682 QULUPIBZXIHVNY-SFHVURJKSA-N 449.913 5.435 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1cc2cccc(F)c2o1 475435501 PWAILSZWQGYQNL-OAHLLOKOSA-N 443.434 5.052 30 20 IKED C[C@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccccc1Br 476679799 AHYURFYHVXUWIY-ZLPCBKJTSA-N 442.357 5.071 30 20 IKED CCCCc1ccc([C@@H](NC(=O)N2CCC(C#N)(COC)CC2)c2cccs2)cc1 476907279 ZUAWFSHWTNVKTF-JOCHJYFZSA-N 425.598 5.142 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3ccc(-c4csc(C(F)(F)F)n4)cc3)on2)c1 477677346 SPGWCACTGLFOLR-UHFFFAOYSA-N 440.406 5.608 30 20 IKED N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 481661145 RSHQMZVINWCUCA-RUZDIDTESA-N 449.551 5.055 30 20 IKED CC(C)(NC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1nc(C(F)(F)F)cs1 482367622 DLPJSRBKIOZVKN-NSHDSACASA-N 447.351 5.278 30 20 IKED CN(Cc1cc(F)c(F)c(F)c1)C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482404814 WXDPSVOMLRVMLP-OAHLLOKOSA-N 442.306 5.150 30 20 IKED Cc1cccn2cc(COc3ccccc3C(=O)[C@H](C#N)c3nccc4ccccc34)nc12 483233004 PNXSJKYCBFOESA-HSZRJFAPSA-N 432.483 5.260 30 20 IKED C=C(C)[C@@H](NC(=O)N1C[C@@H](CC(=O)N(C)C)c2cc(Cl)ccc21)c1ccc(F)c(F)c1 483303080 LNPBOQDDQGVYAP-IVZQSRNASA-N 447.913 5.027 30 20 IKED N#Cc1cc(F)ccc1CN(Cc1ccccc1)S(=O)(=O)c1ccccc1C(F)(F)F 488022879 ITMTZUMADOMXFP-UHFFFAOYSA-N 448.441 5.107 30 20 IKED CN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)[C@H](c1ccccc1)c1ncc[nH]1 493224331 DSVFFVBITKGABG-HSZRJFAPSA-N 442.906 5.589 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 494028184 PLCGMEUFYYKRPJ-DLBZAZTESA-N 440.638 5.685 30 20 IKED O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 496503333 NINPLMNACRXSRX-UHFFFAOYSA-N 448.382 5.211 30 20 IKED C=CCN(CCc1ccco1)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 497646736 LPPQFWIPRLJDLX-SIKLNZKXSA-N 449.517 5.122 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 498266653 RSTQEFPASGYJKW-UHFFFAOYSA-N 438.443 5.154 30 20 IKED Cc1ccc(-n2nc(C)c(CC(=O)N[C@@H](C#N)c3ccc(Cl)cc3)c2C)cc1Cl 499863722 QWYVZPOZWPQLQH-NRFANRHFSA-N 427.335 5.028 30 20 IKED C=CCN(C(=O)c1ccc([C@H]2CCCOC2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 502573796 YJZPUNXYYZNBHH-FQEVSTJZSA-N 449.532 5.445 30 20 IKED C[C@@H](C#N)CN(C)C(=O)NC[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 503566529 YIWPBSFDBWFJFK-RDPSFJRHSA-N 436.559 5.768 30 20 IKED Cc1nc(CSc2ccc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2)cs1 503871748 KMDRUJLVYIGRPT-UHFFFAOYSA-N 431.586 5.545 30 20 IKED CC1CCC(Oc2cc(CNC(=O)Nc3ccccc3SC[C@H](C)C#N)ccn2)CC1 506901848 JNKKDYIPAPVYDE-QPIRBTGLSA-N 438.597 5.613 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nc2ccccc2[nH]1 510022508 DIWHYYGOHRZJLY-HNAYVOBHSA-N 429.911 5.754 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 510077582 DCKBPMDXRDOJDH-CXAGYDPISA-N 425.451 6.035 30 20 IKED COc1ccc(CCCN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 511830336 ZIMQSISZUDSGRV-UHFFFAOYSA-N 443.547 5.437 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2ccc(-c3ccc(Br)cc3)s2)nc2ccccc21 513664867 AIWBSRVICBCZLL-HNNXBMFYSA-N 436.334 5.554 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(-c2ccccn2)c1C(C)C 514558260 AFSRPHUHQKKBMA-UHFFFAOYSA-N 438.491 5.010 30 20 IKED C=CCN(Cc1cccs1)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 519011604 BKZMLFYTQIRFGT-UHFFFAOYSA-N 438.515 5.213 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 519516486 MCFYXUXHFGQFNA-UHFFFAOYSA-N 445.525 5.434 30 20 IKED CC(C)OCc1ccccc1CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 519972452 UDOFLXQVDGVSHZ-UHFFFAOYSA-N 442.519 5.057 30 20 IKED C=CCN(Cc1cccs1)C(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1 520721336 NDEXQFVUHQSULO-UHFFFAOYSA-N 445.382 5.621 30 20 IKED C[C@@H]1Cc2ccccc2N1CCNC(=O)c1ccccc1SCc1ccc(C#N)cc1 521588120 QOLFZQTUJYRTJQ-LJQANCHMSA-N 427.573 5.032 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2cccc(COC(C)(C)C)c2)cc1C 522437817 URYPLTKRVDAWEI-UHFFFAOYSA-N 444.579 5.326 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 522451258 IOSISSJHEPIXSH-HKBQPEDESA-N 429.545 5.086 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 522830252 WAEJHMVEAVOKJT-INIZCTEOSA-N 432.480 5.123 30 20 IKED C[C@@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccc(OCc2cccnc2)cc1 523585320 BXSRIVANEGKSOP-OAQYLSRUSA-N 448.526 5.338 30 20 IKED Cc1nnc(-c2cccc(C(=O)N(Cc3ccccc3)c3cc(Cl)ccc3C#N)c2)o1 531833233 KZOWDJOIIJMLSB-UHFFFAOYSA-N 428.879 5.417 30 20 IKED Cc1cccc(CN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)Cc2ccco2)c1 532659968 RZRUCMAVVMELOK-FQEVSTJZSA-N 433.577 5.481 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc(-c3ccccn3)ccc2Cl)c1C 534381806 GGULGHYLPXBZEW-UHFFFAOYSA-N 427.895 5.329 30 20 IKED N#C[C@H](C(=O)c1cccc([C@@H]2CCOC2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 536442343 ODYAOZLWJYWHKM-CRAIPNDOSA-N 443.355 6.111 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1 536886787 SRDOBHMRMQOTRC-UHFFFAOYSA-N 441.918 5.783 30 20 IKED Cc1cc(N(CCC#N)C(=O)CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)ccc1Cl 538175677 PAYQRAJVXAMCBO-IBGZPJMESA-N 441.856 5.318 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccc(-c2ccc(Cl)cc2)s1 540029146 IXBDRMYMERQRSG-GFCCVEGCSA-N 444.343 5.409 30 20 IKED O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cc(N2CCCC2=O)ccc1F 540575963 ZTZHWDIUQHVQNT-KRWDZBQOSA-N 448.338 5.005 30 20 IKED CSc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(C)n1 542002903 FPCLAMQYACTFHK-MRXNPFEDSA-N 430.577 5.164 30 20 IKED CCCCc1nc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)no1 542124855 VIBZRNDXQZUNDE-AWEZNQCLSA-N 449.317 5.843 30 20 IKED O=C(c1ncsc1C(F)(F)F)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 545986428 KAEZRQDKQWDJOH-UHFFFAOYSA-N 426.357 5.282 30 20 IKED N#C[C@H](C(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)c1nc2cc(Cl)ccc2s1 553999202 FTKUXEQJKSPMTP-GFCCVEGCSA-N 448.813 5.509 30 20 IKED Cc1c(C(=O)Nc2ncccc2OCCCC#N)sc2ccc(Br)cc12 555759061 KJLHNTJCZUKLFD-UHFFFAOYSA-N 430.327 5.302 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(-c2noc(C(F)F)n2)cc1 558453657 IJBFJFNIMFCAIH-UHFFFAOYSA-N 446.413 5.899 30 20 IKED COc1cc(CN[C@H](C)c2ccc(OC)c(OC)c2C)ccc1OCc1cccc(C#N)c1 561926228 OSHVAWMJLFJSQO-LJQANCHMSA-N 446.547 5.322 30 20 IKED C[C@@H](NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1cccc(OC(F)F)c1 568790496 DSIHWOPVZWXBDJ-OAHLLOKOSA-N 447.913 5.297 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(CC(=O)Nc2ccc(CC)cc2)no1 574238632 DXWALZKNTZUTPE-UHFFFAOYSA-N 431.414 5.064 30 20 IKED C[C@H](NCc1ccc(OC(F)F)c(F)c1)c1ccc(OC(F)F)cc1OC(F)F 576176938 DQPGPQZDGZZNCV-VIFPVBQESA-N 427.316 5.481 30 20 IKED C[C@@H](Cc1ccc(F)cc1Br)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 576187992 LLWVGVUXPAQSPS-HNNXBMFYSA-N 444.348 5.214 30 20 IKED CCO[C@@H](c1noc(-c2ccc(C(F)(F)F)nc2C)n1)c1ccc(F)cc1C(F)(F)F 580126899 PMNUJMQJEJBMPA-OAHLLOKOSA-N 449.326 5.743 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@@H](c4ccco4)C3)s2)c(C(F)(F)F)c1 588346765 VFRGJEQGVKQRGK-OAHLLOKOSA-N 446.454 5.239 30 20 IKED C[C@@H](NC(=O)Cc1noc(C[C@@H](CC#N)c2ccccc2)n1)c1ccc(Cl)cc1Cl 589151324 ITSOHLIDPPFGOC-GDBMZVCRSA-N 443.334 5.036 30 20 IKED CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=O)c1cccc(C#N)n1 589463256 ZLVRBCIZKBSQBG-JOCHJYFZSA-N 439.437 5.254 30 20 IKED N#CC1(CC(=O)Nc2ncc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)s2)CC1 590162511 XLLSFUZECIZWEB-UHFFFAOYSA-N 433.377 5.404 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)n1 603501987 LLMMSJDVXKTAQD-LBPRGKRZSA-N 427.879 5.246 30 20 IKED CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c12 603739795 DNTQGIHCWGEVBC-UHFFFAOYSA-N 439.475 5.535 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1Cl 603766721 VEFUGHBKIKQVQG-GCJKJVERSA-N 435.955 5.115 30 20 IKED Cc1nc(NC(=O)Cc2csc(-c3ccc(C(C)C)cc3)n2)sc1SCC#N 603775700 CTFZCWLMVZAVNZ-UHFFFAOYSA-N 428.608 5.495 30 20 IKED Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)Nc1ccc(C(C)(C)C#N)cc1 603927049 LKEHYIYZCWOHMP-UHFFFAOYSA-N 437.341 5.305 30 20 IKED COC(=O)c1sc2cccc(F)c2c1CNc1ccccc1Oc1ncccc1C#N 604007756 YSHGDPGEUHAVPJ-UHFFFAOYSA-N 433.464 5.498 30 20 IKED Cc1cccc(C(=O)N[C@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 604193329 GXGAALBQLOYBHN-MRXNPFEDSA-N 433.895 5.069 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCCC[C@@H]2c2ccc(CC)o2)cc1 606942743 YRNGLGIGUJMPLE-HSZRJFAPSA-N 435.568 5.805 30 20 IKED Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C 608915773 BEUORGDKGVJUHE-HXUWFJFHSA-N 432.568 5.324 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](c1nc(C2CC2)no1)C(C)C 609080135 QHFGFTPLOBWSJE-QFIPXVFZSA-N 445.523 5.225 30 20 IKED CN(C)[C@@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc(Cl)c1 609547739 ITRDNUCPDHGLEW-XMMPIXPASA-N 433.939 5.226 30 20 IKED N#C[C@H](NC(=O)c1cnc(-c2ccccc2Cl)s1)c1ccccc1Br 609593666 ZMRLRLGLNMQCLI-HNNXBMFYSA-N 432.730 5.221 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CSc4ccccc43)s2)c(C(F)(F)F)c1 609814780 CXUFLQOGQZJWMO-INIZCTEOSA-N 445.491 5.452 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N(Cc3cccc(O)c3)CC3CC3)cc2F)c1 609844523 DCFZZTVQNLPYNS-UHFFFAOYSA-N 445.494 5.426 30 20 IKED C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 610019043 PXMKERLKWZTOCE-INIZCTEOSA-N 433.458 5.567 30 20 IKED COc1ccc([C@@H](NC(=O)N[C@H](C)c2cccc(C#N)c2)c2ccccc2Cl)c(OC)c1 610355648 WXYDMEPRTSHBFT-GYCJOSAFSA-N 449.938 5.379 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(CCCO)[C@H]3CCCc4ccccc43)cn2)c1 610660835 IKFDEDQUNDRYDB-DEOSSOPVSA-N 442.519 5.039 30 20 IKED N#Cc1cc(Cl)c(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c(Cl)c1 611092945 VPUTXZUMBZLADH-UHFFFAOYSA-N 447.325 5.648 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C)n1Cc1ccccn1 613319877 OKCYIHCPJAHRQM-NRFANRHFSA-N 446.963 5.815 30 20 IKED CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 670801675 QEBUBHDIDPVEPZ-XBFCOCLRSA-N 435.330 5.473 30 20 IKED C[C@H](OC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCC2 727926312 CMDURHYFFAGGAY-LEWSCRJBSA-N 449.359 5.089 30 20 IKED C[C@@H]1CN(c2ccc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cc2)C[C@@H](C)O1 728471538 ROMMGNZWVRFMJY-RTBURBONSA-N 427.504 5.216 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCCC2 729314988 TYQIURNPTURLOJ-UHFFFAOYSA-N 429.545 5.023 30 20 IKED N#CCCCOc1cccc(NC(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCC3)c1 729326296 KGJPXTRWACWVFP-UHFFFAOYSA-N 445.544 5.424 30 20 IKED N#C[C@@H](C(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1nc2ccccc2s1 730071541 PFVCIWCHCIBUJH-AOMKIAJQSA-N 436.508 6.284 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(c2c(C#N)cnc3c(F)cc(F)cc23)CC1 732803711 PPEWULWINYBARM-FQEVSTJZSA-N 442.510 5.001 30 20 IKED CC[C@@H](C#N)Oc1cc(CNCc2c(-c3ccccc3)nc3sccn23)ccc1OC 733332992 ALYJFYHZXLQUKQ-IBGZPJMESA-N 432.549 5.042 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C)c(Oc3ccncc3)c2)cc1 734706581 NASXGAGATASHOP-SBUREZEXSA-N 427.504 5.657 30 20 IKED CS[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1 740534365 HAULNYOANUCFHD-BEFAXECRSA-N 433.385 6.397 30 20 IKED CC(=NNc1ncnc2sc(-c3ccccc3)cc12)c1c(F)cccc1N1CCOCC1 741161039 DPYDUSXXHWAOEZ-UHFFFAOYSA-N 447.539 5.170 30 20 IKED COc1ccccc1-c1ccc(/C=C\C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 741467480 ONSFUIOECQUAKM-NVNXTCNLSA-N 428.456 5.255 30 20 IKED C[C@@H](OC(=O)C(C)(C)c1ccc2ccccc2c1)C(=O)Nc1sc2c(c1C#N)CCC2 745418921 XBIHHJIBGXQUTG-OAHLLOKOSA-N 432.545 5.110 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2CCC(c3cccc4ccccc34)CC2)c1=S 746714295 HQYISWWGNZWTGW-UHFFFAOYSA-N 441.604 5.652 30 20 IKED CCN(C[C@H](C)C#N)Cn1nc(-c2ccc(OC)c(OC)c2)n(C2CCCCC2)c1=S 747327032 PRWKMHSRCKXCTP-QGZVFWFLSA-N 443.617 5.043 30 20 IKED CCCOc1c(Cl)cc(/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)cc1OCC 748584633 SYNSCQSKCKWYOJ-BJMVGYQFSA-N 429.900 5.380 30 20 IKED Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)c1ccc(C#N)c(Cl)n1 753012724 HIAPTKUMNMJNNS-UHFFFAOYSA-N 447.901 5.904 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc3ccccc3c2O)cs1 757474914 NPZLOKPPDGYAEO-LCYFTJDESA-N 432.476 5.722 30 20 IKED CC[C@H](C#N)Oc1cccc(CNCc2cc(Br)cc(C(F)(F)F)c2)c1 758513719 FKWDQKNJHFLWRE-QGZVFWFLSA-N 427.264 5.439 30 20 IKED Cc1ccc(-c2cnc(CON=C(Cc3nc4ccccc4n3C)c3ccccc3)o2)cc1 760438869 TVQXUPKOQWGOKK-UHFFFAOYSA-N 436.515 5.700 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)[C@H](Oc1cc(Cl)ccc1Cl)c1ccccc1 760786591 VMYNULXURILSAD-OAQYLSRUSA-N 445.277 5.794 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1Cl 761191938 LLAUSUUJMFURQV-UHFFFAOYSA-N 433.895 5.093 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(CCCO)Cc2cccc(Cl)c2)cc1 771462695 KTWKDEBHMSWSCI-XMMPIXPASA-N 433.939 5.412 30 20 IKED C[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(OCc2ccccc2)cc1 777115942 RWGOZPAHHNRETD-HXUWFJFHSA-N 427.548 5.271 30 20 IKED CC(C)N1CC[C@@H](NC(=O)c2ccccc2SCC#N)[C@H]1c1ccc(Cl)c(F)c1 777420379 GRJSRSCNUKOZEA-TZIWHRDSSA-N 431.964 5.049 30 20 IKED COc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2cccc(Br)n2)CC3)cc1 777916701 PNAQCTSHKZWWEJ-ACCUITESSA-N 427.323 5.189 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)O[C@@H]([C@@H]2CCOC2)C(F)(F)F)c1 778043807 XBCNDSUIAGKZNF-ACJLOTCBSA-N 425.790 5.128 30 20 IKED CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)c2cccs2)cc1 780043250 GUKSNJQXELUHII-HXOBKFHXSA-N 447.560 5.007 30 20 IKED COc1ccc2ccccc2c1-c1cc(CNC(=O)Nc2ccccc2O[C@H](C)C#N)on1 780671374 ULSAQUMCAGYSDM-MRXNPFEDSA-N 442.475 5.116 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CC=C(c3cccc4ccccc34)C2)cc1C#N 782591244 LDPIYQAHPWCJCJ-UHFFFAOYSA-N 426.476 5.211 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cc(Br)ccc3F)n2)cc1 784497059 BPLWHFFDCCRTHH-INIZCTEOSA-N 445.313 5.139 30 20 IKED Cc1oc2ccccc2c1CC(=O)[C@@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 787054382 UTTXHNQILLZTPL-KPZWWZAWSA-N 429.303 5.177 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 789451788 OCISMZJJUCUWGF-AZUAARDMSA-N 429.605 5.696 30 20 IKED CN(C)C(=O)c1ccc(C(=O)/C=C\c2cnc(-c3ccc(Br)cc3)s2)cc1 792923238 GTTRQPYSWWIELF-QXMHVHEDSA-N 441.350 5.171 30 20 IKED CC(C)c1ccc(C(=O)Nc2sccc2C(=O)OCCCC2(C#N)CCOCC2)cc1 800140895 KYDXRWJOKQIZLR-UHFFFAOYSA-N 440.565 5.381 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H](F)c1ccc(C(F)(F)F)cc1 801661432 PTXMAYYCIZLRLN-LOWDOPEQSA-N 439.293 5.742 30 20 IKED COCCCn1nccc1/C=C\C(=O)c1sc(-c2ccccc2Br)nc1C 802705268 WWKAYAYUULNEIO-HJWRWDBZSA-N 446.370 5.010 30 20 IKED C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 806201038 RRHCXKODQOOGDH-FDDCHVKYSA-N 440.551 5.200 30 20 IKED C#C[C@@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(Cl)cc1F 807330183 NACKQTCDORFWCI-OAQYLSRUSA-N 434.858 5.324 30 20 IKED CN(Cc1cccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)c1)C(=O)OC(C)(C)C 814641322 FPVXIJAZXKNJIL-JOCHJYFZSA-N 436.556 5.610 30 20 IKED N#C[C@@H](C(=O)COc1ccc2cc(Br)ccc2c1)c1nc2ccccc2s1 916847573 JQHNKKRLOVCGOD-KRWDZBQOSA-N 437.318 5.467 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(SC(F)F)cc1 916886528 HOZCAJYGDDZZEX-AWEZNQCLSA-N 428.432 5.277 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCCc2ccc(Cl)c(Cl)c2)cc1Cl 916941082 YFCFEEODOILUNO-CQSZACIVSA-N 439.726 5.326 30 20 IKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1csc(-c2ccc(F)cc2)n1 916945059 REQKSVZNRVPFIZ-OAHLLOKOSA-N 434.279 5.217 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Oc2ccc(NC(=O)c3ccco3)cc2)cc1 916956944 OHQSOPIUNOZMDQ-UHFFFAOYSA-N 438.439 5.202 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(COc4ccc(F)cc4)n3)n2)cc1 916974947 SEQOXOTUIBFWKC-SFHVURJKSA-N 449.532 5.783 30 20 IKED N#C[C@@H](C(=O)CCc1ccc2ccccc2c1)c1nc(O)c2c3c(sc2n1)CCCC3 917419674 FWTSRDYDLKNJJQ-IBGZPJMESA-N 427.529 5.238 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cs1 917561706 KOIBAVPHVZGCDR-SDNWHVSQSA-N 438.980 6.675 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(F)cc2Br)cc1 917737424 CPTHAJZRESAQSM-SFHVURJKSA-N 445.313 5.044 30 20 IKED C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1cscn1 1286633967 OOLRTYSMEYRQNY-UHFFFAOYSA-N 431.993 5.000 30 20 IKED O=C(Cc1cc2ccccc2nc1O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1559000190 QRFRATMSRPFRTH-UHFFFAOYSA-N 446.322 5.411 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccnc(C(C)(C)C)c3)cc2)CCC1 1787036817 PCWQBZMKCRQGRR-UHFFFAOYSA-N 437.609 5.046 30 20 IKED Cc1ccc(S/C=C/C(=O)NC2(c3ccc(NC(=O)C4(C#N)CC4)cc3)CCC2)cc1 1787881906 ZZROZTMPFHJSQB-LFIBNONCSA-N 431.561 5.039 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CNc4ccccc43)cc2)CCC1 1788043829 LTUBWHOTIAZNLH-JOCHJYFZSA-N 431.580 5.322 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)nc4ccccc34)cc2)CCC1 1788988659 ARNLVZAQEZURBR-UHFFFAOYSA-N 446.938 5.186 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)n(C(F)F)n3)CCC2)cc1 1789456109 LKRHXKDBNQLOJE-IBGZPJMESA-N 442.510 5.103 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc5sccc5c4O)cc3)CCC2)C1 1790931472 SLBQLVYWHQJLOV-UHFFFAOYSA-N 432.545 5.321 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(F)c(Cl)c1 1800705637 KZOZFJXRZCFHGS-YYIAUSFCSA-N 439.358 5.153 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(C)cccc2C)[C@H]1c1cccnc1 1811405206 ZJJHYILNZHMPOH-LADGPHEKSA-N 433.596 5.010 30 20 IKED CC(C)=CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1820808397 QKKUQDXLKZREMG-AVRDEDQJSA-N 433.556 5.089 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)C1 1823699981 COPQTZSXQITDLP-QHCPKHFHSA-N 439.987 5.021 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(C)(C)C)s3)CC2)C1 1823700638 ZSWCDIIAVXTBLR-FQEVSTJZSA-N 428.642 5.245 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3cccnc23)CC1 1828035006 QPXAICINVQGDLL-DEOSSOPVSA-N 447.623 5.461 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)CC1 1828155675 JCRRMVYRUQCHOH-LAUBAEHRSA-N 442.600 5.486 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3occc3c2)CC1 1828256274 DNINWVODKHTFMU-ZEQRLZLVSA-N 434.580 5.435 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(OCC)c2)CC1 1828827352 LRUPFJKUQARFNW-JWQCQUIFSA-N 438.612 5.087 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)nc2)CC1 1829520624 LJQLIEISVQZGHK-RLWLMLJZSA-N 445.607 5.194 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3[nH]c(C)cc3c2)CC1 1831034598 CSZKUOUPGHFEAQ-AZGAKELHSA-N 447.623 5.478 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C\c2c[nH]c3ccccc23)CC1 1831371114 ZMJBQBAWZMTEPW-VNPSARMJSA-N 433.596 5.013 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3sccc3s2)CC1 1831372891 KNLCJGAPTPPZKJ-SJLPKXTDSA-N 430.639 5.408 30 20 IKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(C(C)C)cc2)CC1 1831604482 RADRSDZYUPMRSD-AREMUKBSSA-N 436.640 5.166 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(OC)c2C)CC1 1832537255 DFTRODBHJVDFOJ-UPVQGACJSA-N 438.612 5.005 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)(C)C)cc1)=C(/S)Nc1ccc(C)cc1 10173185 GUHAUQKPFTZFKQ-UHFFFAOYSA-O 431.625 6.193 30 20 IKED C=CCn1c(SCc2cccc3cccnc23)nnc1-c1ccc(Br)cc1 11394168 DFEPGZBTLTYZMJ-UHFFFAOYSA-N 437.366 5.734 30 20 IKED C=CCn1c(SCc2cc(=O)n3cc(C)ccc3n2)nnc1-c1ccc(C(C)(C)C)cc1 21752786 TVAUVQNLNZNXBC-UHFFFAOYSA-N 445.592 5.037 30 20 IKED C=CCN(C(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C)c1nc2c(s1)CCCC2 36644595 WPJZXGALQVKPGY-UHFFFAOYSA-N 443.576 5.112 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 58531736 OMCHHIDTDBXBJO-UHFFFAOYSA-N 445.563 5.243 30 20 IKED N#Cc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)cc1Cl 59272757 LAZDTVTZYNEAMN-UHFFFAOYSA-N 444.672 5.072 30 20 IKED Cc1ccc(-c2cc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c3c(C)noc3n2)cc1 303266495 GHKATMWMBOEDBX-INIZCTEOSA-N 442.544 6.011 30 20 IKED CC(C)Oc1ccc(-c2ccc(NCc3nnc(-c4cccc(C#N)c4)o3)c(F)c2)cc1 427817577 MHFAXJCTCHODEC-UHFFFAOYSA-N 428.467 5.814 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F 432577858 IEYSYPMYIYQFBY-LJQANCHMSA-N 440.893 6.066 30 20 IKED COc1ccccc1-c1noc(C2CCN(c3c(C#N)cnc4ccc(Cl)cc34)CC2)n1 432870707 DLUQHEYFDYMLPD-UHFFFAOYSA-N 445.910 5.202 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ccc(C(F)(F)F)cc1Br)c1ccccc1 433288058 YBMMVZKDSZHDKK-MRXNPFEDSA-N 440.263 6.025 30 20 IKED COC(=O)C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)c(F)c1 434222569 KGYPXFPRVIMEFE-ACJLOTCBSA-N 449.935 5.157 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 436114340 ZHAOYLHRWOCOQN-UHFFFAOYSA-N 446.466 5.301 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(N(C)c2ccccc2)CC1 438675762 BLTLSDDXBPFHRL-UHFFFAOYSA-N 440.547 5.792 30 20 IKED N#Cc1ccc(CSc2nnc(CN3CCCCC3)n2Cc2ccccc2)c(Cl)c1 438821338 VQBVFCYMXHAEFL-UHFFFAOYSA-N 438.000 5.130 30 20 IKED CCCc1c(NC(=O)COc2c(Cl)cccc2Cl)cnn1-c1cccc(C#N)c1 440085181 AFSGMRVDLMREGS-UHFFFAOYSA-N 429.307 5.021 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1NC(=O)CC(C)C 442671561 MVMPUOLBPAHBKK-MRXNPFEDSA-N 425.941 5.733 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Br)cn3C(C)C)n2)cc1 442679835 LGEFLURBNYINDF-MRXNPFEDSA-N 428.355 5.754 30 20 IKED C=CCN(C(=O)[C@@H]1CCCc2sc(C)nc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 447202297 XPSYAYYHUVQQDS-MRXNPFEDSA-N 440.550 5.122 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccc(Cl)c2ccccc12 462970972 YASIWGDYDJWRDK-OAHLLOKOSA-N 437.952 5.315 30 20 IKED N#Cc1cc(F)c(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)c(F)c1 463550551 PYBGKAYCUGDOGQ-UHFFFAOYSA-N 429.785 5.134 30 20 IKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)o2)cc1 464475436 VGPRXQFLKSCWCJ-FQEVSTJZSA-N 447.416 6.221 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H]1CCO[C@@H]1c1ccccc1 466068461 NBPWROCPPQDILV-SQJMNOBHSA-N 427.504 5.558 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@@H](c3cccc(Cl)c3)c3ccccn3)cc2)nc1 472271451 BJWCZWOIGZYFLN-DEOSSOPVSA-N 440.890 5.313 30 20 IKED C[C@H](NC(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc(C#N)cc1 473480844 PAIDGHQMQVZASX-KSFYIVLOSA-N 449.352 5.060 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1 477979689 MRISBELIENOXTH-UHFFFAOYSA-N 448.530 5.085 30 20 IKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(O)(Cc2ccc(F)cc2)CC1 479264244 UIMOEMCEGARRLW-UHFFFAOYSA-N 449.366 5.073 30 20 IKED Cc1nc(-c2ccccc2)sc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 480266765 DJHMOVUOTVLIHI-UHFFFAOYSA-N 436.512 5.205 30 20 IKED CCN(C(=O)COc1ccccc1C#N)[C@@H](c1cccnc1)c1csc2ccccc12 480996885 GLWMHYPTMMJLMV-VWLOTQADSA-N 427.529 5.185 30 20 IKED Cc1ccc(F)c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1Br 484697969 GCULCJDOGZZSGS-UHFFFAOYSA-N 426.245 5.208 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)NC[C@@H](c3ccccc3)C(F)(F)F)s2)cc1 485971096 VBLBLFJDRJYXRP-SFHVURJKSA-N 430.455 5.073 30 20 IKED Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1ccccc1Sc1ccccc1C#N 490010307 MFDIVMNIQPNTCE-UHFFFAOYSA-N 429.545 5.408 30 20 IKED C=CCC[C@H](C(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1ccccc1 490102896 KWNPQAYRLNURBA-FQEVSTJZSA-N 444.497 5.176 30 20 IKED COCCSc1ccc([N+](=O)[O-])cc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 490723802 XBRDYURVYDKKBU-AWEZNQCLSA-N 447.925 5.086 30 20 IKED Cc1cc(CSc2ncccc2C(=O)Nc2cccc(C#Cc3ccccc3)c2)no1 498692593 HWTSDZGOTFBSFW-UHFFFAOYSA-N 425.513 5.322 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N3CCC[C@@H](c4nc5ccc(F)cc5o4)C3)c2)cc1 502145079 XWTRGZXIMZRYRW-LJQANCHMSA-N 440.478 5.602 30 20 IKED CCCC(=O)Nc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1C 502469006 FUTSXPKECFAECM-UHFFFAOYSA-N 429.545 6.009 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(C#N)cc1Cl 502830238 VGQYPRMVLDMEDK-UHFFFAOYSA-N 445.875 5.037 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)CC2)cc1 503897311 KJJQXDCSJYRJID-UHFFFAOYSA-N 449.432 5.694 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3nc(-c4ccco4)no3)n2)o1 504569858 CSQHOIXVONFDGJ-UHFFFAOYSA-N 432.383 5.476 30 20 IKED Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N(C)c3ccccc3C#N)c12 508102899 ZZKOURLAIAPLAI-UHFFFAOYSA-N 436.393 5.365 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)CCOc2cccc(C)c2)cc1 508256515 DEGYLVFTBLVAET-UHFFFAOYSA-N 431.492 5.210 30 20 IKED CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 509671766 GRVHBKSTNGYBJK-HSZRJFAPSA-N 447.922 5.397 30 20 IKED CCN(C[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 510907570 YDPRMLFLBUXSHG-QFIPXVFZSA-N 443.503 5.353 30 20 IKED N#C[C@@H](NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1c(Cl)cccc1Cl 511151029 RLHNNKSSXKWHAX-QGZVFWFLSA-N 432.694 5.829 30 20 IKED N#Cc1ccccc1NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 514594970 XAUSRSPTYIZENH-UHFFFAOYSA-N 432.486 5.480 30 20 IKED Cc1nc(CCC(=O)N[C@@H](C)c2ccc(C#N)cc2)oc1-c1ccc(Br)cc1 518027073 FERWNYNPIVSULA-AWEZNQCLSA-N 438.325 5.094 30 20 IKED Cc1nc(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)n(C2CCCCC2)c1C 518130607 ROGWBJVMMFVLAV-INIZCTEOSA-N 442.654 6.130 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1csc(-c2ccsc2)n1 518654598 IRKIXBIPOVYKFF-AWEZNQCLSA-N 445.660 5.995 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CSc1nc2ccccc2o1 518946147 HERWUJFSNAOTMZ-UHFFFAOYSA-N 431.492 5.473 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1cccc(Br)c1 519432997 LFWVOPBBLWGMSN-AWEZNQCLSA-N 435.412 5.573 30 20 IKED COc1ccc(-c2cc(NC(=O)N(C)Cc3cccc(C#N)c3)ccc2OC(F)F)cc1 519787419 FEZXEOIGLMHURA-UHFFFAOYSA-N 437.446 5.499 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F 519894146 BCHVEFDKNOTFMQ-INIZCTEOSA-N 425.483 5.232 30 20 IKED COCCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@H](C)c1ccccc1 520178348 FFNMMHAKFFKJJI-NTKDMRAZSA-N 447.966 6.237 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 521328191 KFZVUDKTVAJPPF-NSHDSACASA-N 434.892 5.554 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 521741257 ABKVCVZQYXWVOM-VGOFRKELSA-N 446.576 5.112 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c23)cc1 521753066 KJPJQRSWPULHLW-UHFFFAOYSA-N 446.551 5.648 30 20 IKED C[C@@H](c1ccccc1)N1CCC(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 523811337 BGSSNTQQFWMNNS-NRFANRHFSA-N 439.559 5.500 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N(Cc3ccc4c(c3)CCO4)C3CCCC3)o2)cc1 524385664 LUMQIBLSSHDDQF-UHFFFAOYSA-N 442.515 5.250 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 524438147 RALAVJSGERWRNE-UHFFFAOYSA-N 444.510 5.323 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2cccc3c2CN(c2ccccn2)C3)c1 533840413 XEMYPJXLTVCXKU-UHFFFAOYSA-N 446.510 5.305 30 20 IKED Cc1cc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)ccc1NC(=O)c1cccs1 533965732 RIJFJIHJMYZIQJ-UHFFFAOYSA-N 444.541 5.556 30 20 IKED C=C[C@@H](CC(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1)c1ccccc1 534697668 SRZIBXUEQYHWIF-FQEVSTJZSA-N 438.527 6.003 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cccc(NC(=O)c2ccccc2Cl)c1 537622076 OEWXUSHBKVGVSQ-NOZRDPDXSA-N 429.951 5.864 30 20 IKED COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccc(C3(C#N)CC3)cc1)CCO2 538555894 BCZNCMMSSHOJBU-VWLOTQADSA-N 438.527 5.417 30 20 IKED COC[C@@H](C)CC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 541229464 MRRFIPAFKXPEDX-ISVAXAHUSA-N 425.291 5.116 30 20 IKED CC[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1ccc(Cl)s1 542556529 SCRQJDNZAQHEFK-KRWDZBQOSA-N 430.961 5.012 30 20 IKED C[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1nc(-c2ccccc2)cs1 542589917 HRGFOZIDSPMPRQ-SJORKVTESA-N 436.606 5.351 30 20 IKED CCOc1cc(Cc2noc(CSc3ccc(C#N)cc3)n2)ccc1OCC(F)(F)F 545671670 ITIWCZFUWIATBJ-UHFFFAOYSA-N 449.454 5.164 30 20 IKED O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1c[nH]c(C(F)(F)F)c1 551139334 YSXARCHTLLIJSW-UHFFFAOYSA-N 433.283 5.631 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC=C(c3ccncc3)C2)cc1Cl 554130970 BMCXFBXCHKSKBX-QHCPKHFHSA-N 428.923 5.712 30 20 IKED CN(CC(=O)Nc1c(F)cccc1F)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 556511341 VEHCOYIFJOPGEQ-UHFFFAOYSA-N 426.307 5.073 30 20 IKED C=CCn1c(S[C@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)nnc1-c1cccc(C)c1 558805848 QTVWFXGHUQHBHR-UTKZUKDTSA-N 436.556 5.033 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(F)cc3OC3CCOCC3)c2)cc1 561128420 GKFDPZFSMZFNJZ-UHFFFAOYSA-N 432.451 5.300 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1 589328099 ZSIGRLFBTPGVJP-UNMCSNQZSA-N 436.625 5.362 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)c2)cc1 589830775 UFRNLRXOWFUVKN-HSZRJFAPSA-N 438.483 5.418 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(C[C@H](C)c3ccccc3)o2)c1 597705543 GRYCGOWPXNRHNW-PMACEKPBSA-N 448.592 5.460 30 20 IKED N#Cc1ccccc1CSCCNC(=O)Nc1ccccc1COCc1ccccc1 603695841 XTRYJWGZKHRWGK-UHFFFAOYSA-N 431.561 5.330 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCc1ncc(-c2ccccc2)o1 603738910 HSDYIIIKWPYMRO-UHFFFAOYSA-N 438.487 5.670 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 606772375 VAEWEOQFVZRPCQ-KRWDZBQOSA-N 435.442 5.470 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3nnc(SCc4ccccc4)s3)o2)cc1 609054450 NAPOUCGLRHYCFQ-UHFFFAOYSA-N 448.529 5.126 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)COCc3nc4ccccc4s3)cc2F)c1 609103802 BIUCFVRGWATJHL-UHFFFAOYSA-N 447.491 5.041 30 20 IKED N#C[C@H](NC(=O)Cc1c[nH]c2cc(Cl)ccc12)c1ccc(OCc2ccccc2)cc1 609174906 YOJFTZPNGNKOLV-DEOSSOPVSA-N 429.907 5.324 30 20 IKED C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 609387062 ISFMTHLGURFEQX-HZPDHXFCSA-N 446.414 5.160 30 20 IKED C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1nc2ccccc2n1C(F)F 609402920 IIICLJKPRLQDFJ-KGLIPLIRSA-N 429.496 5.566 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(Cc1ccc2ccccc2c1)C1CC1 609403644 NLMNMBCELPFMLL-GOSISDBHSA-N 443.572 5.221 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 609555716 BYBLESXQLLOLTK-INIZCTEOSA-N 436.556 6.113 30 20 IKED COc1cc(CSCc2cc(-c3ccco3)on2)ccc1OCc1cccc(C#N)c1 609741134 MGWYDQBUECRRMJ-UHFFFAOYSA-N 432.501 5.827 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1OCCN1CCCC[C@H]1C 609816207 SGLGFVMYUZPDCY-WOJBJXKFSA-N 437.609 5.444 30 20 IKED Cc1ccc(C[C@H](C)N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 610018646 SZWMBGICHSGUPK-NRFANRHFSA-N 427.548 5.849 30 20 IKED CC(C)CC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1F 610228045 AVLDFRBVFWVAMI-UHFFFAOYSA-N 431.467 5.727 30 20 IKED Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3ccc(C#N)c(C#N)c3)c2c1C 610231491 HFTCRJVSGHHLPO-UHFFFAOYSA-N 441.541 5.455 30 20 IKED Cc1nccn1-c1ccc([C@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 610663579 OFJGRCMSIMWAIQ-KRWDZBQOSA-N 438.491 5.122 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)c(Cl)c1 611093893 MLNNCKWTVOUETA-UHFFFAOYSA-N 430.722 6.383 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@H](C(F)(F)F)CC[C@@H]1C 611556949 IHMOTVCMDYFIDB-LPHOPBHVSA-N 431.458 5.640 30 20 IKED C[C@]1(C#N)CCCN(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)C1 612298713 HMWKJTGDQSRFLJ-OAQYLSRUSA-N 430.430 5.115 30 20 IKED COc1ccc(-c2cc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)nn2-c2ccccc2)cc1 613292296 FQJCIFRKYMFWJI-HSZRJFAPSA-N 444.494 5.586 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Oc2ccc(C)cc2OC)nc1 615507976 RNIMZIQISYHTQW-UHFFFAOYSA-N 433.508 5.420 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2ccc(-n3nccc3-c3ccc(F)cc3)cc2)nc2ccccc21 619752450 PYNXMAMQSNUVGZ-NRFANRHFSA-N 435.462 5.055 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(-c4ccc(C)cc4C)s3)n2)cc1 622283180 VSNXLQMZQMTEIU-IBGZPJMESA-N 445.569 6.049 30 20 IKED CC(C)Cn1cc(C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)c(C(F)F)n1 622572503 KRQFILFKOGYAFZ-UHFFFAOYSA-N 427.320 5.349 30 20 IKED C=CCn1c(S[C@H](C(=O)NCc2ccccc2F)C(C)C)nnc1-c1cccc(C)c1 639426647 HALJAZKYVSCJFS-NRFANRHFSA-N 438.572 5.012 30 20 IKED N#C[C@@H](C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1nc(-c2ccccc2)cs1 642281372 DFVOIUXJPHBRMO-IBGZPJMESA-N 445.931 5.164 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 642282448 SDGJYUHBAHXFHK-HNNXBMFYSA-N 440.450 5.416 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H]1c1ccc(O)cc1 642725128 WPTZPRMSAIDJCL-HJOGWXRNSA-N 430.552 5.147 30 20 IKED O=C(N[C@H]1CCCC1(F)F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 673377182 JKRRXFBYHJVZFU-NHKIZWFTSA-N 433.383 5.413 30 20 IKED O=C(NCC1(Cc2ccc(F)cc2)CC1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 678371313 HRQVAWUSGBQXCZ-ZIAGYGMSSA-N 440.403 5.357 30 20 IKED N#C[C@@H](COC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)Cc1ccc(F)cc1 726330080 YELGEYKQEBNPFZ-AWEZNQCLSA-N 434.414 5.507 30 20 IKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N(C3CCC3)C2=O)cc1 730459956 QFMFKCVWCDTENI-QFIPXVFZSA-N 449.576 5.019 30 20 IKED Cc1ccc(C)c2c(C)c(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)oc12 731075627 GJJTWEQZVKZCPS-INIZCTEOSA-N 436.533 5.548 30 20 IKED Cc1cccc(N(CCC#N)C(=O)COC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)c1C 731268168 KJANJPATDYWFPQ-RPWUZVMVSA-N 426.516 5.050 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 731990713 FWEZBLCTEWQHOZ-UHFFFAOYSA-N 443.503 6.144 30 20 IKED Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)o2)cc1 732399253 LDJJPXHLFMIWMX-MRXNPFEDSA-N 426.432 5.022 30 20 IKED C[C@H](Oc1ccccc1Br)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 732733441 KKVJQUGZBSUIKE-JXFKEZNVSA-N 435.321 5.511 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)OCc3cc(Cl)ccc3OCC#N)c(C)c2c1 735341301 JBXJFKGABRCYKX-UHFFFAOYSA-N 425.868 5.176 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)c3ccc(OCc4cccnc4)cc3)c2)s1 739594967 UDEYOTRMURAXIE-UHFFFAOYSA-N 425.513 5.191 30 20 IKED CCC(CC)C(=O)N1CCC(=NOCc2ncc(-c3ccccc3Br)o2)CC1 742355132 WNFPPRUEUGKCBP-UHFFFAOYSA-N 448.361 5.035 30 20 IKED COc1cc(C(=O)/C=C\c2cc3cnn(C(C)C)c3nc2Cl)ccc1SC(F)F 746345301 CMPZXWPJXABPIR-XQRVVYSFSA-N 437.899 5.885 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)CCCc1ccc2c(c1)-c1ccccc1C2 747562026 QXQOHMJFQISXAT-XMMPIXPASA-N 438.527 5.327 30 20 IKED COc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3cccc(F)c3)s2)cc1OC 750922505 OOWQUYXAIBIVKG-UHFFFAOYSA-N 440.525 5.001 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 753297178 BNHMDVPFMIBMQM-GKBBYZSKSA-N 425.532 5.631 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)OCc2cc(C#N)ccc2Br)s1 755519153 GUWVQPLTCFYUTB-UHFFFAOYSA-N 433.352 5.100 30 20 IKED C#CCN(Cc1csc(N(C(C)=O)c2ccccc2CC)n1)[C@H]1CCc2ccccc21 756485296 CKEFQIIRPNHGOJ-VWLOTQADSA-N 429.589 5.513 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)C1 758607331 VTUKVTBFIZKNOT-FGTMMUONSA-N 446.617 5.095 30 20 IKED CSc1nc(C(C)(C)C)nc(C)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 760366248 WFJANEQTLJIBTI-FQEVSTJZSA-N 430.577 5.712 30 20 IKED N#Cc1ccc(-c2nnc(CNc3cc4c(cc3Sc3ccccc3)OCCO4)o2)cc1 760455208 LQTBUZZMHZQJRO-UHFFFAOYSA-N 442.500 5.143 30 20 IKED CC(C)(C)c1ccc(OCc2nnc(S)n2N=Cc2nc3ccc(F)cc3s2)cc1 761760572 REISPDKDZIURBD-UHFFFAOYSA-N 441.557 5.074 30 20 IKED O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)c1cc(Br)ncc1F 762428195 WXDCZCKTQUDHIT-HJWRWDBZSA-N 449.283 5.127 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 763930554 NJWZNFUKTCWIOW-DEOSSOPVSA-N 426.476 5.447 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@H](C)c2csc3ccccc23)nnc1-c1ccco1 765428844 KMHWTAGZVSWWER-OAHLLOKOSA-N 438.578 5.298 30 20 IKED CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 766041875 OQXFZLRIKYUQIW-KSFYIVLOSA-N 434.606 5.142 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(F)cc2OC(C)(C)C)ccc1OC 766491605 KNALVEUXYPMTFZ-KRWDZBQOSA-N 429.492 5.014 30 20 IKED CC(C)(C#N)CCCCOC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 768626852 JNRMTXOONWKNSB-ILBGXUMGSA-N 432.564 5.430 30 20 IKED CC[C@@H](C#N)Oc1cccc(CN[C@H](CC)c2ccc(I)cc2)c1 772985081 QQOVXFZHHZXNSW-AZUAARDMSA-N 434.321 5.213 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 780175299 DXCRSZJDTPTRSE-CYBMUJFWSA-N 431.439 5.301 30 20 IKED CC(C)Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccccc3O[C@H](C)C#N)CC2)cc1 780670303 OEOBUEFTTHROEM-LJQANCHMSA-N 433.552 5.303 30 20 IKED COc1ccc2ccccc2c1-c1cc(CNC(=O)Nc2ccccc2O[C@@H](C)C#N)on1 780671357 ULSAQUMCAGYSDM-INIZCTEOSA-N 442.475 5.116 30 20 IKED Cc1oc(-c2cccs2)nc1C(=O)OC[C@H](C#N)Cc1ccccc1Br 786643556 XNVJZWNKRUVFSV-ZDUSSCGKSA-N 431.311 5.013 30 20 IKED CC(C)(C)OC(=O)NCc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 786767565 XFUYXVSBNMRRGY-DEOSSOPVSA-N 441.531 5.619 30 20 IKED C#CCn1ccc(CN(CC)C(=O)N[C@H](c2ccc([C@H](C)CC)cc2)c2cccs2)n1 788852994 CZKUBWPEHOZGRG-NTKDMRAZSA-N 434.609 5.412 30 20 IKED CC(C)([C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1ccc(Br)cc1)[N+](=O)[O-] 796831653 GFDCMOXCGMBCTQ-YLJYHZDGSA-N 445.313 5.176 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)s1 797571789 WBRCDNNCZAMSQP-CQSZACIVSA-N 448.375 6.211 30 20 IKED C[C@@H](NC(=O)[C@H](C#N)C(=O)c1ccc(C(F)(F)F)s1)c1ccc(Cl)cc1Cl 802798993 CPVPVIWUXTYXPZ-LDYMZIIASA-N 435.254 5.274 30 20 IKED CNC(=O)Nc1cc(NC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F 803507407 MITNXGLUQPFBGD-GORDUTHDSA-N 449.326 5.267 30 20 IKED C[C@@H](OC(=O)CCCCCC#N)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 805698626 ZTYNCWIUUWWGPE-OXQOHEQNSA-N 441.915 5.016 30 20 IKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccsc3)N(CC3CC(F)(F)C3)C2=O)cc1 813564790 KGJKSPLWSDNSMB-QGZVFWFLSA-N 449.548 5.062 30 20 IKED Fc1ccc2ccc(C=Nn3c(S)nnc3-c3cc(Cl)ccc3Cl)nc2c1F 814748906 ODFLKKJVXVTSIR-UHFFFAOYSA-N 436.274 5.249 30 20 IKED Cc1ccc(Cn2nc(C)c(C(=O)Nc3cccc(C#Cc4ccccn4)c3)c2Cl)cc1 861211493 COHYYLDRQHKGHJ-UHFFFAOYSA-N 440.934 5.249 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1 915179712 GTJVYUHBQSVNFL-QHCPKHFHSA-N 443.959 6.300 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(Br)s2)cc(Br)c1O 916134198 FMYGMEKJOPZAID-ONEGZZNKSA-N 432.133 5.274 30 20 IKED CC(=O)N(c1ccccc1)c1nc(C=NNC(=S)Nc2cccc(Cl)c2C)cs1 916298622 IXWDTQCZWMCUEA-UHFFFAOYSA-N 443.985 5.110 30 20 IKED N#C[C@@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1ccc2ccccc2n1 916848197 FFJWLGCYIAQXNW-HSZRJFAPSA-N 433.486 6.331 30 20 IKED COc1ccc(S[C@@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916907850 XUJDJBHLGHVVTA-UWJYYQICSA-N 446.528 5.316 30 20 IKED CCCCc1oc2ccccc2c1/C=C/C(=O)[C@@H](C#N)C(=O)Nc1c(CC)cccc1CC 916911210 ZRQNWHKFIVIXDM-KXKTWFEWSA-N 442.559 6.261 30 20 IKED COc1ccc(C(=O)/C=C\c2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)c(F)c1 917034188 OJSWSAKLPFWBKO-WZUFQYTHSA-N 437.423 5.226 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(OC(F)(F)F)cc2)cs1 917560753 YLMLWRFHNUTMMK-KPKJPENVSA-N 446.450 5.931 30 20 IKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccccc2C)[n+]2ccc(C)cc2)C=C1 917607365 SPSUIPWVYDRSON-UHFFFAOYSA-O 433.553 5.175 30 20 IKED C[C@H](NC(=O)C(=O)Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1)c1ccc(C#N)cc1 918269273 KEQKQDIRWLBIFQ-AWEZNQCLSA-N 438.314 5.348 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc([N+](=O)[O-])o3)CCC2)cc1 1786102658 SKOUEJMQBBNWRN-WYMLVPIESA-N 449.507 5.104 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3c(F)cccc3Cl)CCC2)cc1 1786366805 VCAUAQHSHBTRKO-UHFFFAOYSA-N 444.934 5.210 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3scnc3C(F)(F)F)cc2)CCC1 1787576948 QYWWUUYPTYIAQR-ZDUSSCGKSA-N 437.487 5.122 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C)nc3C)CCC2)cc1 1789458222 QVDYETVKGWAKDK-RUZDIDTESA-N 445.607 5.534 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Cc3ccncc3)cc2)CCC1 1791039444 MPZWQCGWCPPMTB-GBXCKJPGSA-N 431.580 5.163 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)COc3ccc(Cl)c(Cl)c3)CCC2)cc1 1791587534 ONXDIZZMOFPKSS-UHFFFAOYSA-N 433.335 5.082 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Cl)c(C)c1Cl)C2 1798338842 KTPYEBDGAPYCCA-XMTFNYHQSA-N 435.395 5.322 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2ccc(C)cc2)[C@H]1c1cccnc1 1812745069 PLOOOQTVEBCWIP-AZGAKELHSA-N 447.623 5.021 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4cc(F)ccc4s3)n[nH]2)C1 1819076268 CLBOUKGGRJXBBU-SFHVURJKSA-N 438.528 5.036 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3scnc3c2)n[nH]1 1819146984 VKTHDCQVNOBETM-HXUWFJFHSA-N 449.580 5.094 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(F)c(F)c2C)[nH]n1 1819311289 UEOARPGFVLAMAH-OXQOHEQNSA-N 442.510 5.071 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCC(F)(F)CC2)CC1 1824329042 BSUAUTIWSMWVLM-VXKWHMMOSA-N 436.587 5.200 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccccc3n2C)CC1 1827995286 ROUVWMGAKADYLQ-ZCYQVOJMSA-N 447.623 5.180 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C(F)(F)F)CCC2)CC1 1828825420 VSZNFUHCYCHKAJ-PMACEKPBSA-N 440.550 5.107 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sccc2Cl)CC1 1828826890 OIYVGVDAQSKBMM-AZUAARDMSA-N 435.033 5.403 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2scnc2C2CC2)CC1 1829066224 VYBWFQOJYGNTAB-FQEVSTJZSA-N 443.657 5.246 30 20 IKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](c3ccc(F)cc3)C(C)C)CC2)C1 1831751177 WLOSJGKBZYBSGP-RPBOFIJWSA-N 440.603 5.151 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc(F)c2F)CC1 1832639058 HHJXYAMUZHRWGQ-DENIHFKCSA-N 448.529 5.106 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc3c(c2)CCCC3)c(C)c1 10168775 XECPGVZFANIASC-UHFFFAOYSA-O 443.636 6.137 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(\S)Nc2ccccc2C(F)(F)F)c1 11157180 FVAJREUKIDYLRQ-UHFFFAOYSA-O 446.518 5.308 30 20 IKED C=CCn1c(=O)c2ccccc2n2c(SCc3nc4ccccc4c(C)c3Cl)nnc12 21235385 FPVVJKGTJQXTIX-UHFFFAOYSA-N 447.951 5.033 30 20 IKED C=CCn1c(SCC(=O)N(Cc2ccccc2)C(C)(C)C)nnc1-c1ccc(F)cc1 21996282 BTZATSQLFRHXLN-UHFFFAOYSA-N 438.572 5.190 30 20 IKED CCCCSc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)s1 22489967 YDBKNYWQDHBHMY-UHFFFAOYSA-N 438.669 5.363 30 20 IKED CC(C)(C)c1ccc(C(=O)/C(=C(/S)NC2CC2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22688419 KCJNBMYBNROFBW-UHFFFAOYSA-O 443.636 5.553 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cccc3ccccc23)cc1 22693274 OKRFSVRBOINEIY-UHFFFAOYSA-O 447.530 6.019 30 20 IKED Cc1cc(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2ccc(N(C)C)cc2)c(C)[nH]1 23603565 PNVQZYYFEYKDLR-UHFFFAOYSA-O 435.617 5.159 30 20 IKED CC(C)c1c(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cnn1-c1ccc(C(F)(F)F)cn1 24618696 PROADOVAODDACT-UHFFFAOYSA-N 441.457 5.463 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C#N)c2)cc1NC(=O)c1ccc(Br)cc1 31816567 OGJXLIOESVXHNH-UHFFFAOYSA-N 434.293 5.134 30 20 IKED CCOC(=O)CSc1nnc(/N=C(\O)c2sc3cc(Cl)ccc3c2Cl)s1 31907938 MAUUTXGSLLNYHC-UHFFFAOYSA-N 448.378 5.351 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Oc2ccc(C)cc2OC)nc1 63391614 XGXDXSUZKBTGEL-UHFFFAOYSA-N 428.492 5.283 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 63393170 QZZUIGSIPFAHHC-UHFFFAOYSA-N 434.883 5.277 30 20 IKED C=CCN(Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1)Cc1ccc(Cl)s1 108711431 WTGVCMGSOGETBY-UHFFFAOYSA-N 432.014 6.039 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(F)cc3OCC(F)(F)F)c2)cc1 303563502 AOKOUZPSWDLKRT-UHFFFAOYSA-N 444.384 5.470 30 20 IKED COc1ccc(-c2nnc(S[C@H](C)c3ccc(C#N)cc3)n2C2CCCCC2)cc1OC 303667161 FMZMGXXMUQOZKL-QGZVFWFLSA-N 448.592 6.192 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C[C@H](c2ccccc2)O1 409772164 MKSHHLFNQCMPIG-DVKBMCPXSA-N 445.950 5.989 30 20 IKED N#C[C@@H](C(=O)c1ccc(Sc2ccccc2Cl)nn1)c1nc(-c2ccncc2)cs1 426175771 VYSIXZJTPJFCOW-AWEZNQCLSA-N 449.948 5.290 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCOC2(CCCCC2)C1 426522036 JCJPABGWGYSAFS-SFHVURJKSA-N 439.369 5.168 30 20 IKED CC(C)Oc1cc(Br)cc(NCc2cn(CCC#N)nc2-c2ccncc2)c1 433342866 MLDLCNYVDCXDAY-UHFFFAOYSA-N 440.345 5.021 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1 433780828 CEEATYSQZHFTHH-UHFFFAOYSA-N 442.466 5.921 30 20 IKED C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 437504936 WGVOQAICAKJUGN-QRWLVFNGSA-N 429.451 5.336 30 20 IKED C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 437894672 YJJPGJIFWBSAPW-MZNJEOGPSA-N 442.494 5.565 30 20 IKED C=CCn1c(SCC(=O)Nc2cscc2C)nnc1-c1ccc(Cl)cc1Cl 439164906 CDPJESYFPQRADA-UHFFFAOYSA-N 439.393 5.539 30 20 IKED C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 439365174 MEZFXWXZEOGCPU-IBGZPJMESA-N 441.535 5.093 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 439531459 VNVOASIGGSAYQY-SAHWJRBASA-N 429.586 5.057 30 20 IKED C=C(C)Cn1c(-c2sccc2C)nnc1N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 460384624 DXDPPGKTENKSHN-MSOLQXFVSA-N 448.514 5.222 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)c2)cc1 462252558 BROISPJWGOAZCP-AHWVRZQESA-N 441.531 5.373 30 20 IKED C[C@H](NC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(-c2cccc(C#N)c2)cc1 463005467 APIMTMCDXFAIIU-CNVLFFCLSA-N 425.532 5.506 30 20 IKED COCCCCc1cccnc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 463025288 PKXXUENLNLWNGW-UHFFFAOYSA-N 435.911 5.620 30 20 IKED O=C(Nc1ccc(Br)cc1C(F)(F)F)c1c(F)cc(C(F)(F)F)cc1F 463461817 RDYAUHBBZDAKQG-UHFFFAOYSA-N 448.107 6.017 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)c1 464255548 DXMZISQHXKSURK-INIZCTEOSA-N 428.875 5.724 30 20 IKED O=C(COc1ccccc1C(F)(F)F)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 464724029 DXCUOUBJWCYPPI-UHFFFAOYSA-N 447.310 5.067 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)cc1C 465462575 FGDJQCMVQZSBPA-OAQYLSRUSA-N 449.558 5.634 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 475552697 CXBFKCCOEYJLJV-SFTDATJTSA-N 435.612 5.469 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(N(C)C(=O)C(C)(C)C)cc1 479953211 GZBLHUZFXQRQCX-KRWDZBQOSA-N 439.581 5.107 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)c1C 483676080 FDKLVKRJVBFRCU-VQTJNVASSA-N 440.425 5.002 30 20 IKED N#Cc1ccccc1-c1ccc(CNc2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 487379712 SPGMRUHHPDWZEZ-UHFFFAOYSA-N 438.552 5.811 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)NC[C@H]3CCC(F)(F)C3)s2)c(C(F)(F)F)c1 496368542 YZJSTMYZZMTOCM-LBPRGKRZSA-N 444.429 5.181 30 20 IKED CC(C)[C@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 497641163 GBDXGQTWHWGOJA-XMMPIXPASA-N 427.504 5.145 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1csc(-c2cc(Br)cs2)n1 500616309 JAAFCALYICKBRM-UHFFFAOYSA-N 434.340 5.157 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 502448709 YEASVYKXOXDXIK-UHFFFAOYSA-N 433.558 5.617 30 20 IKED COCCn1c(C)c(C)c2cc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)ccc21 503571260 IEKRTSAAVOJTSV-GOSISDBHSA-N 437.952 5.658 30 20 IKED CCC(CC)(Cc1nc2ccccc2s1)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 505124286 JNDWHJIMDMUIKT-UHFFFAOYSA-N 447.604 5.587 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2cccc(SC)c2)cc1 507808968 DSCNUGNQLLKXFT-INIZCTEOSA-N 433.533 5.520 30 20 IKED C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(OC2CCCC2)CC1 508494784 RAXAJMJOXYFNFS-UHFFFAOYSA-N 449.624 5.491 30 20 IKED C=CCn1c(Sc2nc([C@@H](C)OC)ns2)nc2sc(-c3ccccc3)cc2c1=O 509692071 GOFJLKMENQZMDT-GFCCVEGCSA-N 442.591 5.021 30 20 IKED Cc1c(C#N)cccc1C(=O)Nc1ccc(N(C)C(=O)c2cccc(C#N)c2C)c(Cl)c1 510098268 JZHQQMVOQFHMCZ-UHFFFAOYSA-N 442.906 5.229 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@H](C(F)(F)F)C4(CCC4)C3)s2)cc1 510254906 HSYJAUAXKARRGB-KRWDZBQOSA-N 434.487 5.192 30 20 IKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(F)cc1 510540744 WVRGGPPRHYSZDN-QHCPKHFHSA-N 441.466 5.134 30 20 IKED CCc1cc(C#N)c(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)s1 511066443 WIOQWKMXKUYKNQ-UHFFFAOYSA-N 442.894 5.104 30 20 IKED CCc1cc(=O)c2cc(NC(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)ccc2[nH]1 512571408 CGFWYWBPHOCBMV-UHFFFAOYSA-N 443.890 5.660 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 513191191 GKCVZLWYAJVCRR-OAHLLOKOSA-N 435.402 5.074 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H](Oc3ccccc3)c3ccccc3)s2)cc1 515287935 GRYXTGDHNOLMTO-QHCPKHFHSA-N 425.513 5.364 30 20 IKED N#Cc1cc(Br)ccc1CNc1cccc(C[S@](=O)c2ccccc2)c1 516601017 PKRFAMPGARTPEP-SANMLTNESA-N 425.351 5.241 30 20 IKED COCCn1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2ccccc21 516710461 BELFMJLFYMFUCZ-GOSISDBHSA-N 435.936 5.555 30 20 IKED CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1=O 518140289 JSWLMOPQTVYGNS-QYZOEREBSA-N 435.593 5.443 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NC(c2ccccc2)c2ccccc2)cc1 518567014 QTZFXHDODMDCGM-UHFFFAOYSA-N 447.494 5.195 30 20 IKED Cc1sc2ncnc(SCCC(=O)Nc3ccccc3SC[C@@H](C)C#N)c2c1C 518660459 YDADZQYPXZQOPC-ZDUSSCGKSA-N 442.635 5.681 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cn(C)nc3-c3ccccc3Cl)n2)cc1 519498348 DKRXNBWEFVFEHH-KRWDZBQOSA-N 432.936 5.663 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 523456175 UMOGAGYOFQGLFL-SJLPKXTDSA-N 425.529 5.347 30 20 IKED CC[C@](C)(C#N)NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 523670819 JCLXEMRDLOBRAM-OAQYLSRUSA-N 446.498 5.004 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccn(-c2ccc(F)cc2)n1 524386797 WLQPKIJHXBZEQR-UHFFFAOYSA-N 426.451 5.023 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cnn4c(-c5ccccc5)ccnc34)cc2)c1 524411174 PKWWMGIACSJVCV-UHFFFAOYSA-N 445.482 5.099 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 524497639 SAMUIRKCQLAQMT-UHFFFAOYSA-N 440.478 5.331 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(Oc2ccccc2Cl)CC1 532818235 FUHUXPFHBXDBTC-MRXNPFEDSA-N 429.973 5.810 30 20 IKED CC[C@@H](C)n1ncc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1C1CC1 534987007 RBGAYQPPYMZEGG-GOSISDBHSA-N 445.542 5.977 30 20 IKED O=C(Nc1ccc(OC(F)(F)F)cc1Br)c1cc(F)c(F)c(F)c1F 535335255 LSZBYYIVMFNUBJ-UHFFFAOYSA-N 432.089 5.156 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 537626520 VSNNQBBTXVSBQY-SXOMAYOGSA-N 433.559 5.265 30 20 IKED N#CCCN(Cc1cccnc1)C(=O)c1ccc(-c2ccc(Br)s2)s1 542022250 UWOFXIKXABQOMD-UHFFFAOYSA-N 432.368 5.190 30 20 IKED C=C(C)Cn1c(SCc2nc([C@@H]3CCCc4ccccc43)no2)nnc1-c1ccco1 545579104 BNJGGVKFEYQUTF-GOSISDBHSA-N 433.537 5.258 30 20 IKED C=CCOc1ccc(CNC(=O)c2oc3ccccc3c2CSc2ncccn2)cc1 552706563 LJWDJGABWSKSJT-UHFFFAOYSA-N 431.517 5.010 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)N[C@@H](c1ncccc1C)C(C)C)c1ccc(C(F)(F)F)cc1 553995717 XUUSKOKIPMTPJK-WOJBJXKFSA-N 447.501 5.046 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)cc2)ccn1 555121338 BCMSBYPKNASZCZ-UHFFFAOYSA-N 434.455 5.250 30 20 IKED C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@H](C2CCOCC2)C1 564060024 NAIBJHIZEQAXMQ-JOCHJYFZSA-N 438.616 5.118 30 20 IKED Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 564438024 DFPAJMJYTVUPJO-OAQYLSRUSA-N 440.425 5.869 30 20 IKED CC(C)(C(=O)Nc1ccc(C(F)(F)F)cc1Br)c1cc(F)cc(C#N)c1 568929335 ZJAXXYIJHQGNLY-UHFFFAOYSA-N 429.211 5.395 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@@H]1c1csc(C)n1 572410972 XYBMMYKQGCQLQD-UZUQRXQVSA-N 445.592 5.864 30 20 IKED CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@@H](c1cccc2ccccc12)C(F)(F)F 574314126 ZLGHRUIAEBMBPM-QFIPXVFZSA-N 441.453 5.173 30 20 IKED CSCC[C@](C)(C#N)NC(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21 574941401 XFMLCUULDMIIND-OAQYLSRUSA-N 447.391 5.162 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc3cc(Br)cnc23)c1 584494083 UJQZGQZBXWIIJO-UHFFFAOYSA-N 448.276 5.293 30 20 IKED C=CCc1cc(CNC(=O)Nc2cccc(OCC(F)(F)F)c2C)cc(OC)c1OC 590142468 BCUPELVMOGTLTI-UHFFFAOYSA-N 438.446 5.004 30 20 IKED C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)N[C@H](CCCC#N)c3ccccc3)c2)C1 590298806 OLUDHBBMILXDMM-NIJXNBFTSA-N 447.579 5.272 30 20 IKED COc1ccc(-c2nnc(SCc3ccc(-c4ccccc4C#N)cc3)o2)cc1OC 591593658 ORHWUUHHHXDMNO-UHFFFAOYSA-N 429.501 5.585 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H](c4nc5ccccc5o4)C3)s2)cc1 603648694 KGZYDYWKXHRUBF-SFHVURJKSA-N 443.532 5.158 30 20 IKED CN(Cc1nccn1C(F)F)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604089896 QVRJAWKXWPATAY-UHFFFAOYSA-N 431.830 5.259 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)CCc3ccc(Br)cc3F)s2)cc1 604486290 IDEKFFRVMINZAW-UHFFFAOYSA-N 444.329 5.078 30 20 IKED Cc1cc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)sc1-c1ccc(F)cc1 608811253 JKDXGPNEMKTJMU-OAQYLSRUSA-N 437.515 5.024 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(Br)c2C)cc1C 608879879 DHUCBTJFUZCSSU-UHFFFAOYSA-N 437.341 5.404 30 20 IKED C/C=C/c1ccc(OCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(OC)c1 609064372 RVNBNYONQBTUFP-HWKANZROSA-N 428.488 5.196 30 20 IKED Cn1ccnc1[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1F 609209017 PJRHZJFSJMASPG-QHCPKHFHSA-N 441.466 5.134 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)N(Cc1ccc(C#N)cc1)C(C)C 609213315 CAMGWJSCQVABFV-KRWDZBQOSA-N 436.556 5.811 30 20 IKED N#CCn1c(C(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)cc2ccccc21 609216506 LFNMXDRPTAFILW-UHFFFAOYSA-N 437.286 5.911 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 609296813 XRMIBGBEOHHKRT-UHFFFAOYSA-N 439.003 5.044 30 20 IKED CCN(C(=O)c1cc2ccccc2n1CC#N)[C@H](c1cccnc1)c1ccc(F)c(F)c1 609577426 CFXNSEUTTFJHML-DEOSSOPVSA-N 430.458 5.090 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cnc(-c4ccncc4)s3)cc2F)c1 610174072 GPFXHORWOWOTLF-UHFFFAOYSA-N 430.464 5.047 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)c1 610765813 NGMYQOVAYLSNJG-UHFFFAOYSA-N 428.879 5.120 30 20 IKED N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccc(Br)cc1)c1nc2ccccc2o1 614439811 LKLVQAQQOVGBHY-SFHVURJKSA-N 445.272 5.311 30 20 IKED C=CCN(Cc1ccccc1)C(=O)N[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 616133344 PXLMRHZINANUHV-HXUWFJFHSA-N 431.536 5.128 30 20 IKED N#CCn1c(-c2nc(CC(=O)Nc3ccccc3Oc3ccccc3)no2)cc2ccccc21 618401289 WJQXAMKIRPTQQZ-UHFFFAOYSA-N 449.470 5.188 30 20 IKED C=CCn1c(SCC(=O)NCc2cccc(C)c2)nnc1-c1ccc(Cl)cc1Cl 641929987 JGWMMFOCOGEPBH-UHFFFAOYSA-N 447.391 5.155 30 20 IKED C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 669815497 ZMHHOOOIXVMPCL-GOSISDBHSA-N 438.535 5.061 30 20 IKED CN(C)[C@H](C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1c(F)cccc1Cl 673637146 AJOXKDIWSRWRLE-SQYUCLKFSA-N 448.810 5.108 30 20 IKED COc1ccccc1/C(C)=C\C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 727626660 FDKDIJSYDIRETB-VUANCPLDSA-N 426.472 5.238 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc2nc(Cl)ccc2c1 728081662 LIEQXRKRPOCUSW-UHFFFAOYSA-N 427.891 5.900 30 20 IKED C[C@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1cccc2ccccc12 728110875 WYKXHKMYNJPPJB-KRWDZBQOSA-N 440.455 5.067 30 20 IKED Cc1cc(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(C)n1-c1ccc(C#N)cc1 728269384 KJFSKYJXYDDADA-HOTGVXAUSA-N 443.391 5.169 30 20 IKED CSCCCN1C(=O)/C(=C/c2cccc(OCc3ccccc3C#N)c2)SC1=S 731371798 MNWSEUCGEOCVLP-MOSHPQCFSA-N 440.615 5.092 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(c2ccc(C)c(F)c2)C(=O)N[C@@H]1c1cscn1 731433368 GJAZJXKBHYYXIE-HXUWFJFHSA-N 425.460 5.001 30 20 IKED N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 731479427 GPIJHZBQYGEBOA-JOCHJYFZSA-N 443.881 5.311 30 20 IKED Cc1nn(-c2ccc(Br)cc2)c(C)c1/C=C\C(=O)c1c(C#N)c2n(c1C)CCC2 731938622 QSJBCANUVPYLNV-KHPPLWFESA-N 449.352 5.076 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)OCc3ccc(OCc4cccnc4)cc3)o2)cc1 733485159 WNQGHICNGVWRIA-UHFFFAOYSA-N 440.455 5.061 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)c1 733807037 QFADCHRQAAOQQU-ZEQKJWHPSA-N 425.532 5.225 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cs1)C1CC1 734304105 DWOYZDXKOGVMDO-JXMROGBWSA-N 443.981 5.640 30 20 IKED Fc1cccc(F)c1-c1ccc(C=Nn2c(S)nnc2SCc2ccccc2)o1 734363084 FTZFAQVSLNVHTI-UHFFFAOYSA-N 428.489 5.280 30 20 IKED COc1cccc([C@@H](C#N)NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1OC 735044186 IQNOSKATAMNPGH-HXUWFJFHSA-N 447.878 5.016 30 20 IKED CCCN(Cc1ccccc1O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 735866931 JHOYFJVZSDQEHF-UHFFFAOYSA-N 429.520 5.595 30 20 IKED CC(C)c1ccc([C@H](C)CC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 739144076 VUVYNZYUMJQJGV-DNVCBOLYSA-N 433.577 5.769 30 20 IKED CCCOc1cc(/C=C\C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)ccc1OC 741446889 BCXBJXJWIPAGII-ZSOIEALJSA-N 428.550 5.096 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 742649844 RLRZFGBEIHRXTM-CYBMUJFWSA-N 437.443 5.301 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)Cn1nc(-c2cccnc2)n(-c2ccccc2)c1=S 746033257 PSNYVZIZATXBJF-UHFFFAOYSA-N 440.576 5.205 30 20 IKED Cc1ccc(-c2cc(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)c3c(C)noc3n2)cc1 746487012 ZXRLJZIOMKOGCN-UHFFFAOYSA-N 447.838 5.192 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)[C@H](C)Oc2ccc(Cl)cc2Br)n1 747196764 BIPCLHMHWVOFKQ-JQWIXIFHSA-N 427.751 5.326 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cc(Cl)cc(Br)c1 747204307 HAOHIOBDEDXUPA-QGZVFWFLSA-N 427.685 5.217 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)cc1 749027134 XNSSLKUTZXBZQN-HXUWFJFHSA-N 431.904 5.324 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C[C@@H](C)c1ccc(F)cc1F 751861138 HZONJWHNBMPGDI-CABCVRRESA-N 432.492 5.035 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)CCCCc3ccc(Cl)c(Cl)c3)o2)cc1 753430126 BTYOYCVKTCXNRF-UHFFFAOYSA-N 430.291 5.371 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(CCCO)[C@@H]2CCCc3ccccc32)cc1 754437385 QXZOPZIQROSGQH-KAYWLYCHSA-N 439.559 5.636 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1Br 757407053 BGPOYQNRTVSZHD-GFCCVEGCSA-N 426.097 5.026 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCCCC[C@@H]3C[C@@H](O)c3ccco3)c2)c1 762985792 IMPPYAAXAWXYGC-ILBGXUMGSA-N 444.531 5.239 30 20 IKED C=C(Cl)COc1ccc([C@@H](C)N[C@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1 765987563 KFIXHIIAHPOEIM-QZTJIDSGSA-N 432.967 5.330 30 20 IKED CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)Nc1ccccc1S[C@H](C)CC#N 766041877 OQXFZLRIKYUQIW-OPAMFIHVSA-N 434.606 5.142 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)cc1 767588539 UFXNJYBZMZVPQC-BJKOFHAPSA-N 431.923 5.601 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cn(CCCC#N)c3ccccc23)cc1 774050637 GHCBHUWFNKTCQB-XMSQKQJNSA-N 426.520 5.420 30 20 IKED COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)Nc1ccccc1O[C@@H](C)C#N 780668795 ZBPIQBPNVSVOFB-SFTDATJTSA-N 443.547 5.651 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 780673621 XGPVKNMSLBOVJT-PXNSSMCTSA-N 431.496 5.177 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)[C@H](Sc3ccc(F)cc3)c3ccccc3)o2)c1 785877409 PJPKZSANPJKSGN-JOCHJYFZSA-N 445.475 5.324 30 20 IKED C#CCN(Cc1ccc(F)cc1)C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 786843986 NOGOJOXHDPYDMW-UHFFFAOYSA-N 446.309 5.167 30 20 IKED CC(C)N1C(=O)C[C@H](C(=O)[C@H](C#N)c2nccc3ccccc23)[C@H]1c1ccc(Cl)c(F)c1 792107463 VVVIWWZDSBUTCN-XLNZFTOWSA-N 449.913 5.202 30 20 IKED O=C(C[C@H]1CCC(F)(F)C1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 797990737 KIIHFDZHVLTNRI-IAQYHMDHSA-N 445.350 5.450 30 20 IKED C#C[C@H](NC(=O)CCc1ccccc1NC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 804423201 JADOFNRHYWGIAU-IBGZPJMESA-N 430.907 5.249 30 20 IKED C#CC[C@H](Cc1ccccc1)NC(=O)c1oc2ccccc2c1CSc1nnc(C)s1 808922009 GHJDAEPLNRXGNA-GOSISDBHSA-N 447.585 5.249 30 20 IKED N#Cc1ccc(Oc2cccc(-c3nc([C@H]4CCC(=O)N(CC5CCCC5)C4)no3)c2)cc1 856576419 GUJIFIJBYMBNDA-NRFANRHFSA-N 442.519 5.297 30 20 IKED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl 914964033 ROSVRQBEQGCHHS-MGNBDDOMSA-N 446.878 5.173 30 20 IKED CCn1c(SCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nc2ccccc21 915085199 IMOBJAWXLOYDMP-OAQYLSRUSA-N 426.545 5.442 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc2cc(Cl)ccc2o1 916906042 AWNNHPIUTDBCSO-SFHVURJKSA-N 430.847 5.840 30 20 IKED CC(C)OCc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916906233 CSLSSEDXBZYFAF-JOCHJYFZSA-N 428.488 5.365 30 20 IKED C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl 916913333 WPQYXEYRVXWEEQ-CMPLNLGQSA-N 427.740 5.475 30 20 IKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 916942152 GWPBDMAEATZTOQ-AWEZNQCLSA-N 434.260 5.077 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2cccs2)n1)C(=O)Nc1cc(Cl)cc(Cl)c1 916944710 LKPXDQZKEDPEMZ-AWEZNQCLSA-N 436.345 5.068 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)c1nc(-c2ccccc2)cs1 917025529 MSSAXYCHOOSMBL-CTNGQTDRSA-N 437.524 5.193 30 20 IKED N#C[C@H](C(=O)C1(c2ccc(Br)cc2)CCC1)c1nc2cc(Cl)ccc2s1 917046599 LELHYXPTCYYRBD-OAHLLOKOSA-N 445.769 6.010 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cs1 917562180 UHOYDXZFWQOWCL-UXBLZVDNSA-N 431.344 6.339 30 20 IKED O=C(/C=C\c1c(Cl)nc(Cl)n1-c1ccccc1)c1ccc(N2CCCC2=O)cc1 920066255 VOOHBMMHNDWEOF-SEYXRHQNSA-N 426.303 5.202 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1nc(-c2ccncc2)cs1 920265344 NONSXOOXODNTJE-KRWDZBQOSA-N 436.949 5.401 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920803822 DQDDOGJSKZJFPN-GOSISDBHSA-N 448.498 5.310 30 20 IKED CCOC(=O)C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(F)cc1 920872650 OVZWQZLJJIIHSO-ZEQRLZLVSA-N 445.494 5.297 30 20 IKED Cc1ccc(OC(F)F)c(CN(Cc2ccc(C#N)cc2)c2ccc3nc(O)[nH]c3c2)c1 1307546192 LYNGGVFJHAWZJT-UHFFFAOYSA-N 434.446 5.257 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)cc2)CCC1)C(F)(F)F 1786032607 WMAWXMYKCYDBHJ-UXHICEINSA-N 446.444 5.182 30 20 IKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)cc3Cl)CCC2)cc1 1787649451 FGCDNBRUJJBBIE-UHFFFAOYSA-N 435.833 5.020 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Cc3ccncc3)CCC2)cc1 1789458237 RGKSETMQEGHCRA-HYBUGGRVSA-N 431.580 5.163 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc(Br)c(C)c3)cc2)CCC1 1790346853 ACKGZFDMBYDKGC-UHFFFAOYSA-N 427.342 5.081 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccccc2)[nH]n1 1814445703 UIQRNOSKRDSWRB-TUNNFDKTSA-N 434.584 5.198 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC)cc2C)n[nH]1 1820655799 KDWWQOVXYUZKFV-OAQYLSRUSA-N 438.572 5.025 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3nc(C)ccc3o2)CC1 1824141208 KVRRHZWIYWLDMN-HSZRJFAPSA-N 449.595 5.138 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CSC2CCCC2)CC1 1824476011 HGVYKKVFBWNSHY-HSZRJFAPSA-N 432.674 5.050 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C)c2Cl)CC1 1832604045 ZUJBFZWEYZZPAT-IBGZPJMESA-N 438.946 5.093 30 20 IKED C[C@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)Nc1ccccc1C#N 9968092 LJQCENWMBHATFD-INIZCTEOSA-N 443.507 5.064 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc([N+](=O)[O-])cc1)=C(/S)Nc1cc(C)cc(C)c1 10172488 SBJSRLBSOVMVIZ-UHFFFAOYSA-O 434.541 5.112 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3ccccc3)n2)n(C2CCCC2)c1C 10841799 JBSBWLBGGKUDRN-UHFFFAOYSA-N 448.548 5.011 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2ccccc2)c(C)s1 11077966 OXJSZKFMFDHDQG-UHFFFAOYSA-O 436.409 6.010 30 20 IKED C=CCn1c(SCC(=O)NC2CCCCCC2)nnc1-c1ccc(Cl)cc1Cl 14070353 QBLXFWIHPUFHNF-UHFFFAOYSA-N 439.412 5.369 30 20 IKED C=CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1cccc(OC)c1 14082870 VSOIJUCPQPKPAA-UHFFFAOYSA-N 449.363 5.177 30 20 IKED C=C(C)CN/C(S)=C(\C(=O)c1ccc(CC)cc1)[n+]1ccc(Cc2ccccc2)cc1 22798713 MIAHLWZTYIGSLQ-UHFFFAOYSA-O 429.609 5.232 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)nnc1-c1ccco1 23202329 SMZDYZUSJIJQBY-HNNXBMFYSA-N 443.598 5.027 30 20 IKED Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)cc1C 25439339 FEBJCURQYJTGQA-UHFFFAOYSA-N 447.560 5.158 30 20 IKED C=CCSc1ccccc1NC(=O)COC(=O)c1csc(-c2ccc(F)cc2)n1 28040193 JJDPHUORHVGOIP-UHFFFAOYSA-N 428.510 5.023 30 20 IKED O/C(=N\c1nnc(-c2ccccc2)s1)c1sc(-c2ccco2)nc1-c1ccccc1 29646371 KAOSAFFHLWARIY-UHFFFAOYSA-N 430.514 6.225 30 20 IKED Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 60648284 JXEAXPZQHISJAQ-UHFFFAOYSA-N 427.504 5.293 30 20 IKED CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 303673661 XMSZVJUGVUYQLW-PZJWPPBQSA-N 448.567 5.208 30 20 IKED N#CCCCOc1cccc(NC(=O)c2cc(Br)ccc2Br)c1 322449953 FSFLKHLSYSDELY-UHFFFAOYSA-N 438.119 5.146 30 20 IKED N#Cc1cc(NC(=O)c2ccccc2OCc2cccs2)ccc1OCC(F)(F)F 409797170 UICWMVTVORAMBI-UHFFFAOYSA-N 432.423 5.392 30 20 IKED C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)o1 409807083 JSLDNEJCFOOMTC-WWGKXEARSA-N 425.488 5.269 30 20 IKED N#CC1(CCCN2CCN([C@@H](c3ccccc3)c3ccccc3Cl)CC2)CCOCC1 410345015 MTFOQBYXYIIPDC-VWLOTQADSA-N 438.015 5.148 30 20 IKED CCN([C@H](c1ccc(Cl)cc1)c1cccnc1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 431927065 RIWGJNIHCWWVSK-OAQYLSRUSA-N 446.359 5.060 30 20 IKED CC(C)(C(=O)NCCSCc1ccccc1C#N)c1csc(-c2ccccc2F)n1 432063948 UACDDLFHHRRYKY-UHFFFAOYSA-N 439.581 5.148 30 20 IKED CC(C)c1nc(C2CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)no1 432806063 RZSZOGWSDCGCPR-UHFFFAOYSA-N 431.496 5.268 30 20 IKED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 436357206 HDARNLPWHUGGFK-JXFKEZNVSA-N 447.457 5.060 30 20 IKED CCCc1c(NC(=O)Nc2ccc3oc(C4CC4)nc3c2)cnn1-c1cccc(C#N)c1 439226854 XKSGJELVLOTBMJ-UHFFFAOYSA-N 426.480 5.359 30 20 IKED CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C(C)C)cc1 441596179 HFSBLXQEEWNVNS-FQEVSTJZSA-N 431.458 5.152 30 20 IKED CN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@@H](c1ccc(Cl)cc1)c1cnccn1 444274435 BIYWLPTWLLGRTK-DEOSSOPVSA-N 443.938 5.250 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@]1(O)CCC[C@H](C(F)(F)F)C1 444824347 GGWRMULFXJISBL-JTSKRJEESA-N 447.457 5.264 30 20 IKED C=CCN(C(=O)C1CCN(C2CC2)CC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 447137452 HGNATAIDOSDCDS-UHFFFAOYSA-N 436.408 5.510 30 20 IKED CC(C)(C#N)CC(=O)N(C[C@@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 447316628 ZLZOFVXBAQZHFV-INIZCTEOSA-N 437.487 5.281 30 20 IKED N#C[C@H]1N(C(=O)c2oc3ccccc3c2COc2ccccc2)CCC[C@]12CCCCO2 448536813 HJOXXEOOTMSKOQ-ZEQKJWHPSA-N 430.504 5.079 30 20 IKED N#Cc1cccnc1-n1cc(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cn1 461275957 AXNAFEYJHZSYHL-UHFFFAOYSA-N 448.722 5.566 30 20 IKED CCSc1cccc(Br)c1NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 464716009 YPALUIJPLXFGEW-UHFFFAOYSA-N 441.354 5.179 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cc1 464857287 QFXOBHDXHFXHGW-XMMPIXPASA-N 440.478 5.051 30 20 IKED C[C@@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)Oc1ccccc1F 466165505 LQZMVBNIPVWGFX-SFHVURJKSA-N 433.483 5.060 30 20 IKED Cc1nn(C)c(C)c1[C@@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 471097544 FSCQTAANHNSXOW-CYBMUJFWSA-N 447.301 5.108 30 20 IKED C[C@H](Oc1ccc(F)cc1Br)C(=O)N(Cc1ccco1)c1ccccc1C#N 482150178 DLQCPDFMMGHMID-AWEZNQCLSA-N 443.272 5.054 30 20 IKED COCCCN(C)C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482349871 UWNZTPHPBPUUFF-GFCCVEGCSA-N 440.306 5.006 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 483358609 MXUONSNNSWKPMF-KIFXHHALSA-N 448.636 5.457 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)Nc1nc2c(cc1C#N)CCCC2 484174201 YVQCGCATUXGXPM-UHFFFAOYSA-N 427.291 5.355 30 20 IKED O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)N(CCC(F)(F)F)Cc1ccccc1 484765744 GUWHZSRZFIHEPW-INIZCTEOSA-N 440.334 5.732 30 20 IKED CCn1c([C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)nc2ccccc21 484987087 YIKBOSZJKLVFLE-GOSISDBHSA-N 440.572 5.711 30 20 IKED C[C@H]1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)[C@H]1c1ccc(C(F)(F)F)cc1 485322919 SIZPVCISLXSRNF-MEDUHNTESA-N 427.348 5.214 30 20 IKED N#Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)s1 486616592 ORKXGNAABUPASU-GOSISDBHSA-N 426.423 5.034 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)c3nnc(-c4cccc(Cl)c4)o3)o2)cc1 489815516 QCJCWHHCENLANI-CYBMUJFWSA-N 440.912 5.858 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1NCc1ccccc1C 499130873 PFRZBYHUNLMTLM-UHFFFAOYSA-N 429.520 5.285 30 20 IKED CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)c1 499982963 XTJFLFODKGKNCX-SFHVURJKSA-N 443.572 5.168 30 20 IKED N#Cc1cn(Cc2ccc(OCc3ccccc3)cc2)c2ccc(Br)cc2c1=O 502824330 BXCZNPHVPNUBLR-UHFFFAOYSA-N 445.316 5.263 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(-c4ccc5c(c4)OCO5)s3)n2)cc1 503587211 ZVLMSZIHZOTFBE-INIZCTEOSA-N 445.525 5.461 30 20 IKED Cc1nc(SCC(=O)N(C)c2ccc(Br)cc2Cl)c(C#N)c(C)c1C 508144384 VJDJXIMLWZEXLD-UHFFFAOYSA-N 438.778 5.050 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccccc3COCc3ccccc3)CC2)cc1 509607007 DVUWIMXUBYNEIU-UHFFFAOYSA-N 441.531 5.350 30 20 IKED CC(C)Cn1ncc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1C1CC1 509897494 WQOPGASMGSHVRI-AWEZNQCLSA-N 426.492 5.308 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1 511565567 KFGJJFXNSCXGKJ-KRWDZBQOSA-N 442.544 5.968 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(OC(C)C)c(OC)c2)cc1 512541184 SHARFXBORBEDFX-UHFFFAOYSA-N 432.476 5.407 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)nc2ccccc21 513672660 SVVAUIPTOHMPJP-KRWDZBQOSA-N 436.393 5.269 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 513722342 JTMYHNZECATQGU-OAHLLOKOSA-N 449.488 5.387 30 20 IKED Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 515656098 HNCDWISOPVBHMM-OAQYLSRUSA-N 442.559 6.170 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2oc3ccccc3c2COc2ccccc2)n1 516351872 FOAFGUINWJKMNW-KRWDZBQOSA-N 446.484 5.135 30 20 IKED CCOc1ccc(NC(=O)[C@@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 517460990 JGEOACBVWGFQTE-CQSZACIVSA-N 437.487 5.549 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1csc(C2CCCC2)n1 518132196 SXLBKRPXUSKBRT-OAHLLOKOSA-N 431.652 6.067 30 20 IKED CC(C)c1nc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)nn1-c1ccccc1Cl 518738973 IQSLQKITMYIWDY-HNNXBMFYSA-N 439.972 5.691 30 20 IKED COc1ccc([C@@H](Cc2ccc(F)cc2)N[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1 520625197 RSATUICJFGLFBH-RXFWQSSRSA-N 445.538 5.043 30 20 IKED CCOc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(C)c1 520802191 WHFAKLGYNHSDJX-UHFFFAOYSA-N 444.500 5.219 30 20 IKED Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)c12 521352855 TVISAHOXYCJGHR-LJQANCHMSA-N 436.393 5.212 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C)O[C@H](C)C2 521662635 RQHXLMCRYQDXMO-OUOWLKGYSA-N 447.579 5.004 30 20 IKED C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 523419245 ZTBPPABVSIIBAR-IERDGZPVSA-N 433.914 6.286 30 20 IKED N#CC1(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2Cl)CC3)CCOCC1 533870907 LZSOKSMZEHPKLI-SDXDJHTJSA-N 443.934 5.178 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N(C[C@@H]2CCCO2)c2ccncc2)cc1Cl 534171438 PIBBLPGKGOSVQG-FQEVSTJZSA-N 433.895 5.225 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)Nc1cccc(C#N)c1C)C(F)(F)F 537514462 JGBBBQILQVWAEA-FQEVSTJZSA-N 427.430 5.094 30 20 IKED C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1nc(-c2ccncc2)cs1 538609289 WASWUDVJHDMHKG-GOSISDBHSA-N 426.545 5.507 30 20 IKED COC[C@H](C)CC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 541229465 MRRFIPAFKXPEDX-OQPBUACISA-N 425.291 5.116 30 20 IKED COc1cccc([C@H]2C[C@@H](C)CN2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1 544233657 QWYYRHPMFBXJCP-AUUYWEPGSA-N 433.430 5.123 30 20 IKED C=C[C@@H](Cc1nc(-c2ccccc2-c2ccc(CN3CCCC3=O)cc2)no1)c1ccccc1 545039201 UXDSEMPIJGDKKI-QFIPXVFZSA-N 449.554 6.038 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)CC(=O)c1ccc(Cl)cc1 546105496 WGSIWKNMIRXCHY-INIZCTEOSA-N 433.895 5.555 30 20 IKED N#Cc1cccc(-c2cc(C(=O)N3CCC[C@@H](c4cccc(C(F)(F)F)c4)C3)on2)c1 552791066 FENGWUXFNPGFGH-GOSISDBHSA-N 425.410 5.252 30 20 IKED Cc1ccc(-c2nc(CNC(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)co2)cc1 553365197 SYLIRSCUXGEZAB-UHFFFAOYSA-N 448.954 5.098 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc2n[nH]cc2c1 554400827 FIEZZFOCLRQBAN-VFNWGFHPSA-N 429.911 5.754 30 20 IKED C=CCn1c(S[C@@H](c2ccc(Cl)cc2)C2CCOCC2)nnc1-c1ccncc1 559191240 DELLNGVPKQNERR-FQEVSTJZSA-N 426.973 5.440 30 20 IKED CC(C)(C(=O)Nc1cc(C(F)(F)F)ccc1Br)c1cc(F)cc(C#N)c1 566033332 PXCCGFDQJUMKLA-UHFFFAOYSA-N 429.211 5.395 30 20 IKED Cc1cc(O)nc2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)ccc12 572517609 CQPYFWLXVMGYRH-NRFANRHFSA-N 427.891 5.810 30 20 IKED O=C(N[C@@H](CO)CC(F)(F)F)c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1 579408789 QEUZINFRFFPDOU-GFCCVEGCSA-N 441.368 5.039 30 20 IKED C=CCc1ccc(OCc2nc(-c3ccc(OCc4cccnc4)cc3)no2)c(OC)c1 598785113 SXCGQBDVEHTAML-UHFFFAOYSA-N 429.476 5.027 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 601186437 RCSZJYMKBNMHDI-HOTGVXAUSA-N 441.375 5.076 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)o1 603950728 UVEHIKKVNMVTBT-UHFFFAOYSA-N 434.542 5.696 30 20 IKED CCCCCn1nc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c2ccccc2c1=O 603969440 VIACVFYECXMRON-UHFFFAOYSA-N 442.544 5.439 30 20 IKED Cc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c2c(C)nn(C)c2n1 604027409 XVEUABRURFTDCI-UHFFFAOYSA-N 431.883 5.155 30 20 IKED CCC(CC)(Cc1nc2ccccc2s1)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 604066012 LXUDDAFQMGECBC-QFIPXVFZSA-N 446.620 5.054 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 608914980 ARMXZGZTWRLCSJ-UHFFFAOYSA-N 444.457 5.368 30 20 IKED Cc1ccc(C)c([C@@H](C)N(C)C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 609438846 ZFAOSADHAVFWHK-LJQANCHMSA-N 427.504 5.126 30 20 IKED C[C@@H](c1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1)N1CCOCC1 609518576 GOGWQMSPEBKKNP-FQEVSTJZSA-N 441.531 5.190 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(Oc4ccncc4)c(Cl)c3)cn2)c1 609620616 GUELLQXEHHJJHM-UHFFFAOYSA-N 442.862 5.839 30 20 IKED CC(C)(C)OC(=O)CSCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 610152653 SIRBBTBVODMTPF-UHFFFAOYSA-N 432.929 5.017 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)c1cc2ccccc2n1CC#N 610154992 WTDLBPBCMQOEIQ-UHFFFAOYSA-N 437.478 5.418 30 20 IKED C=CCN(C(=O)CS[C@@H](C)CCO)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 610286986 DMHGRTXRYVUBIZ-LBPRGKRZSA-N 431.410 5.140 30 20 IKED C=CCC[C@H](NC(=O)N1CCC(CCC(=O)OC)CC1)c1ccc(C(F)(F)F)cc1 611005671 ZWEILZVZEQNVJO-IBGZPJMESA-N 426.479 5.088 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)CC2)cc1 615505364 BKKMPQRMFBXLBZ-UHFFFAOYSA-N 440.503 5.181 30 20 IKED C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(OC(F)F)cc1 618554654 WYEDFGFUTASURQ-DLOVCJGASA-N 434.327 5.121 30 20 IKED CC(C)Cn1ncc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1C(F)F 677515300 SVBSSPPQVDXTLA-UWVGGRQHSA-N 435.359 5.116 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1CCCOc2cc(F)ccc21 679028230 YDXADOQTXACODE-UEKVPHQBSA-N 442.375 5.248 30 20 IKED C=CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H]1c1ccc(O)cc1 685551859 MVATZJPQVPMQHA-HNNXBMFYSA-N 431.359 5.002 30 20 IKED CC(=NNc1ccc(OC(F)F)cc1)c1ccc(OCC(=O)Nc2ccccc2)cc1 726428536 CMKRBGZMGUBXIG-UHFFFAOYSA-N 425.435 5.142 30 20 IKED CC(C)(C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1cccc(Br)c1 726731521 KSPVUXYBKCWCPA-AWEZNQCLSA-N 433.758 5.866 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)NCc2ccc(OCC#N)cc2)c(C(F)(F)F)c1 727936007 FWVSVWSMFIMBPU-CQSZACIVSA-N 437.487 5.820 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccc(Br)s1 733079455 CBBSBOMONBTEOZ-UHFFFAOYSA-N 442.264 5.218 30 20 IKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC[C@H](COCC)C2)c1=S 733788968 JHHSSZAVAUWJHG-IBGZPJMESA-N 428.646 5.271 30 20 IKED C=CC[C@H](NC(=O)NCc1ccc(-n2nc(C)cc2C)cc1C(F)(F)F)c1ccncc1 734662700 BMQYTWSIBHVOKY-NRFANRHFSA-N 443.473 5.020 30 20 IKED Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)NCc3ccc(OCC#N)cc3)cc2)c1 738954406 FQURSZARSPMIIW-UHFFFAOYSA-N 443.547 5.922 30 20 IKED CC(C)[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1nc2ccccc2[nH]1 740467403 NKWNUPMXEPGVSJ-JOCHJYFZSA-N 429.549 5.360 30 20 IKED CC(C)(C)c1ccc(Oc2ccc(C(=O)OCC(=O)Nc3ccc(CC#N)cc3)cn2)cc1 741378743 OCLVNUKGYCDJOM-UHFFFAOYSA-N 443.503 5.033 30 20 IKED COC(=O)C[C@@H]1CN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c2ccccc21 741579443 SXPBDONISISZQE-QGZVFWFLSA-N 446.890 5.311 30 20 IKED CCOc1cc(/C=C2\CCc3c(O)cccc3C2=O)ccc1OCC(=O)Nc1ccccc1 742434772 MUDCFVZGMFSYLB-XDJHFCHBSA-N 443.499 5.021 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3c(Cl)cc(C(F)(F)F)cc3Cl)o2)cc1 744785217 ZAQGOHFZIWILKZ-UHFFFAOYSA-N 442.180 5.291 30 20 IKED C[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccc(-c2ccncc2)cc1 746423491 WCXVHBCJDOXRCA-GOSISDBHSA-N 438.556 5.909 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)CCCCc2ccc(Cl)c(Cl)c2)n1 753539761 RCJRFZQWGQSACQ-ZDUSSCGKSA-N 425.337 5.216 30 20 IKED C#CC[C@@H](NC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C)c1ccccc1 757625251 YIBUCHOJXYURRH-LJQANCHMSA-N 440.927 5.596 30 20 IKED C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 760202139 PCWJBISJIWUXDO-IFXJQAMLSA-N 433.920 5.421 30 20 IKED N#C[C@H](C(=O)c1sc2ccccc2c1CSc1ccccc1Cl)c1ccncn1 760342314 WMIDKEILVQIKIX-HNNXBMFYSA-N 435.961 6.127 30 20 IKED Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C\C(=O)c1cc(Br)ncc1F 762426998 RURSHHYQKPSIKV-SREVYHEPSA-N 438.659 5.166 30 20 IKED C[C@H](c1ccccc1)n1c(SC[C@H](O)c2ccc(C#N)cc2)nnc1-c1ccccc1 763231569 NZJQTXRXQKXDOF-JPYJTQIMSA-N 426.545 5.252 30 20 IKED C#CCCN(Cc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1)CC(F)(F)F 767899195 HYTUCMVAATYKSF-UHFFFAOYSA-N 449.420 5.234 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cc(F)ccc2Br)cc1 771903219 NKRMPRYFZHYAJJ-SFHVURJKSA-N 445.313 5.044 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@@H](O)c1ccc(Cl)cc1 774612278 ZSJLIKAWRVOEED-GOSISDBHSA-N 436.364 5.176 30 20 IKED C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)cc1 777304285 NVGFQRGQHDTTRB-XHDPSFHLSA-N 437.710 5.203 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1 778297807 LXWCODSFXORJJO-IQUTYRLHSA-N 448.489 5.027 30 20 IKED COc1c(Br)cc(CNc2ccccc2O[C@@H](C)C#N)cc1Br 779989534 UIRNJGWAQBKUSC-NSHDSACASA-N 440.135 5.123 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccccc2)nc2ccc(C)cc12 780306477 WSMOKDIJVQAPDL-JOCHJYFZSA-N 449.510 5.570 30 20 IKED N#Cc1csc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2C(F)(F)F)c1 781376852 UFWAHLQWVLKBCL-IBGZPJMESA-N 430.451 5.015 30 20 IKED C=C[C@](C)(CCOC)C(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1 782443468 LNJHQDMMZLUCAM-HSZRJFAPSA-N 430.570 5.025 30 20 IKED C=CC[C@H](NC(=O)N1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1)c1ccncc1 784527136 XGWRDKWMIPYPAM-QHCPKHFHSA-N 435.568 5.243 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)/C=C/c1nc2ccccc2s1)c1ccc(Cl)cc1Cl 787052587 ZSDXEPGRTWYISO-CFPAMBERSA-N 444.343 5.203 30 20 IKED N#Cc1cccc(-c2cc(C(=O)OCc3coc(-c4ccc(C(F)(F)F)cc4)n3)on2)c1 789124078 URBXLUYPIZHECC-UHFFFAOYSA-N 439.349 5.244 30 20 IKED C=CCn1c(-c2cccc(C)c2)nn(CN(CCC(F)(F)F)CC(F)(F)F)c1=S 790411772 RSWPVEDLQAKCRV-UHFFFAOYSA-N 438.441 5.350 30 20 IKED COc1ccccc1-c1ncc(/C=C\C(=O)c2cc3cc(Br)ccc3o2)cn1 792866548 OIMVJOMXUJFRHQ-VURMDHGXSA-N 435.277 5.557 30 20 IKED N#CC[C@H](CC(=O)OC1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1 796832985 BOTNVOZPVCQGGU-HXUWFJFHSA-N 446.469 5.180 30 20 IKED CCn1ncc(NC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C(F)(F)F 798543963 XRSXEDDMWWZMMD-ONEGZZNKSA-N 445.285 5.611 30 20 IKED COc1ccccc1CON=Cc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 799120455 WUEMNZAJGWMOLF-UHFFFAOYSA-N 449.454 5.406 30 20 IKED Cc1ccc([C@](O)(Cc2nc([C@H](F)c3ccc(C(F)(F)F)cc3)no2)C(F)(F)F)o1 800999725 CIGILUUBKYZKCO-GDBMZVCRSA-N 438.299 5.041 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)c1 801018922 YNAPJVJVHOGTAP-UGKGYDQZSA-N 449.448 5.167 30 20 IKED Cc1ccccc1[C@H](O)C1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 804519749 VBTUTRHOHRMGOO-AREMUKBSSA-N 442.584 5.604 30 20 IKED C#C[C@H](NC(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1ccc(Cl)cc1F 806272694 JDHBENNNJWWQMP-SMSORMJASA-N 440.927 5.283 30 20 IKED O=C(Nc1cccc(/C=C\C(=O)c2cnnn2-c2ccccc2)c1)c1ccccc1Cl 821007162 FAFFRVANTPJXAS-YPKPFQOOSA-N 428.879 5.069 30 20 IKED C=CCc1ccc(OC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)c(OC)c1 875115659 VJQCGRJJUUZESP-UHFFFAOYSA-N 443.956 5.053 30 20 IKED N#CC(CCOC(=O)CCc1nc(-c2cccs2)no1)(c1ccccc1)c1ccccc1 914887993 RGPXIMRXVHVEFX-UHFFFAOYSA-N 443.528 5.174 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1 915102550 XKJHVQLEVOOLFW-IBGZPJMESA-N 433.533 5.576 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2ccccc2)cc1 915353034 PXSWMCFXTFSZEJ-IZLXSDGUSA-N 447.538 6.262 30 20 IKED Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3ccc(OCc4ccccc4C#N)cc3)o2)c1 915511628 CHTWMSITXZWVHO-GOSISDBHSA-N 439.471 5.414 30 20 IKED CCn1c2ccccc2c2cc(C=Nn3c(S)nnc3-c3ccccc3OC)ccc21 916277729 QQXPTUOFXRLTQG-UHFFFAOYSA-N 427.533 5.252 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)c2C#N)C1 916828308 TXQYMBJJCOCDBY-NYHFZMIOSA-N 442.540 5.451 30 20 IKED CCCCOc1c(Cl)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC 916885122 NEGOCLSNGYLDTM-QGZVFWFLSA-N 449.334 5.532 30 20 IKED Cc1ccc(Cl)c(O[C@@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1 916888577 WQGDWQVCSMHKDE-WFASDCNBSA-N 438.883 5.078 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916907576 CEJSLUYVDASTQZ-GFCCVEGCSA-N 434.723 5.339 30 20 IKED COc1ccc(SCCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916912422 ZBPRLHZXZOFEQU-OAQYLSRUSA-N 446.528 5.317 30 20 IKED Cc1cc(C)c(C(=O)CCCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)c1 916931463 LQDWJXQCMSGLRC-KRWDZBQOSA-N 445.346 5.619 30 20 IKED N#C[C@@H](C(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1nc(-c2ccc(Cl)cc2)cs1 916976831 GWQIPDKGFGOCBX-YOEHRIQHSA-N 429.328 5.544 30 20 IKED N#C[C@@H](C(=O)/C(=C/c1ccc(F)cc1)c1cccs1)c1nc2cc(Cl)ccc2s1 917046201 HQYWYNYFUOQYTE-KGZWWPETSA-N 438.936 6.567 30 20 IKED COc1ccccc1-c1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)no1 918157256 BIGICILUURVBRV-FQEVSTJZSA-N 443.890 5.911 30 20 IKED Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)c1 919448656 XMMIVBMGRJRJLQ-IBGZPJMESA-N 432.520 5.180 30 20 IKED CCCOc1c(Br)cc(/C=C2/CCc3oc(C(=O)O)c(C)c3C2=O)cc1OC 920066390 ZSPLGXWLQONOPV-JYRVWZFOSA-N 449.297 5.059 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@H](C#N)c1nc2ccccc2o1 920115567 IDGQZHWJRMCLOX-BBRMVZONSA-N 437.908 5.634 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCC(=O)c3ccc4ccccc4c3)n2)cc1 920141645 LADYCWOOCCNPTO-QFIPXVFZSA-N 435.508 5.674 30 20 IKED Cc1nccn1-c1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1F 920235373 RVCQTZSZKGZMQS-QHCPKHFHSA-N 439.494 5.297 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@H](C)c3ccc(OC)cc3)cc2)CCC1)C(F)(F)F 1786038685 LXDIYNSKWIEKTR-OAHLLOKOSA-N 446.469 5.051 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)C4CCN(c5ccccc5)CC4)cc3)CCC2)C1 1786092308 FELLKGNLDPLTRD-UHFFFAOYSA-N 443.591 5.003 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cnc5cccc(Cl)c5c4)cc3)CCC2)C1 1790975066 ZMOQUARCRCZNTI-UHFFFAOYSA-N 445.950 5.602 30 20 IKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)C4(C#N)CCC4)cc3)CCC2)c(C(F)(F)F)o1 1792229442 ALYWRMWRQUEWCQ-UHFFFAOYSA-N 445.441 5.048 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(F)F)cc3Cl)CCC2)cc1 1792265415 XCDRSTNORAOHJQ-UHFFFAOYSA-N 446.881 5.103 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1cccc(C)c1)C2 1792571915 OEIYJABYKIYNFO-NUNAXRQHSA-N 445.607 5.301 30 20 IKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)s1 1816353545 MMLFRSKPLGNIBD-MGPUTAFESA-N 447.564 5.026 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C3CC3)cc2)n[nH]1 1821300576 HVIOYQYVRPQIRX-HSZRJFAPSA-N 432.568 5.361 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)c(F)c2)CC1 1828826763 BMGUPUOXKONIAP-ISKFKSNPSA-N 426.576 5.136 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3[nH]ccc3s2)CC1 1828828288 HCTQJLWFTYIHNT-TZIWHRDSSA-N 439.625 5.231 30 20 IKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1829576389 AIAGCKKDGHMTDW-JOCHJYFZSA-N 447.604 5.259 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2cccc(CC)c2)cc1 10174461 NRHCJESMVAXZTN-UHFFFAOYSA-O 434.541 5.058 30 20 IKED N#Cc1c(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)sc2c1CCCCC2 10714838 ZHOCQFLQKJNOEB-UHFFFAOYSA-N 427.526 5.414 30 20 IKED O=C(C[C@H]1S/C(=N/c2cccc(C(F)(F)F)c2)NC1=O)Nc1ccc2ccccc2c1 15231849 XROJTNAGMJHHDA-GOSISDBHSA-N 443.450 5.107 30 20 IKED Cc1cc(C)c(NC(S)=C(C(=O)c2ccc(Cl)s2)[n+]2ccccc2)c(Cl)c1 15248356 PKNIDMDKAWFLIE-UHFFFAOYSA-O 436.409 6.010 30 20 IKED C[C@H](Sc1nnc(-c2cccs2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 16793036 KNMGKSVWKMKZIZ-NSHDSACASA-N 430.580 5.119 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1cccc(C)c1 17708605 BTVNDRHIVJLLIQ-OAHLLOKOSA-N 448.508 5.251 30 20 IKED Cc1cc(C(=O)CCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(C)s1 58515397 DVMJGZLOAQRMFH-UHFFFAOYSA-N 434.536 5.568 30 20 IKED C=CCN(C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1 58642212 YAHSMBBFBUJCKY-UHFFFAOYSA-N 433.430 5.049 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)o1 58771296 QXABUZWDDVFCOA-FQEVSTJZSA-N 438.430 5.139 30 20 IKED N#Cc1cc(NC(=O)C(=O)N[C@@H](CCCc2ccccc2)c2ccccc2)ccc1Cl 61983138 WOUPSJNFNXHJLG-QHCPKHFHSA-N 431.923 5.031 30 20 IKED C=CCN(CCc1ccccc1)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 62405634 IIBVIFLQHJOFNO-UHFFFAOYSA-N 439.987 5.665 30 20 IKED N#CCCCOc1cccnc1NC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12 72086227 OXXADYGGCULOCB-UHFFFAOYSA-N 442.494 5.623 30 20 IKED N#CCCn1cc(C(=O)CN2CCc3sccc3[C@H]2c2cccs2)c2ccccc21 96966694 UBDWSNKPDSXYAO-DEOSSOPVSA-N 431.586 5.508 30 20 IKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)[C@@H](C)C(=O)Nc1ccccc1C#N 302598303 VVJRSMBZMLXPHK-SFHVURJKSA-N 449.576 5.056 30 20 IKED COCCOCc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)ccc1F 304045393 OIVLKSRKBHNZIS-UHFFFAOYSA-N 434.467 5.213 30 20 IKED C[C@H](NC(=O)c1cccc(SCC#N)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 429872083 MXCJEVOXYSJXCS-INIZCTEOSA-N 433.508 5.185 30 20 IKED C[C@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)c1cccc(SCC#N)c1 430498967 MUHGRIYBMRUTFA-IBGZPJMESA-N 441.556 5.274 30 20 IKED CN(C[C@@H](O)Cc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 432676338 FLTCKEKNBQUTTA-GMAHTHKFSA-N 433.939 5.063 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC3(Cc4ccc(F)cc4)CCOCC3)cc2)cc1 432759267 UKCGIHORYWDPTQ-UHFFFAOYSA-N 445.494 5.403 30 20 IKED CCCc1c(NC(=O)NCc2ccc(-c3cccnc3)cc2)cnn1-c1cccc(C#N)c1 439669823 FAAOFMNBOXJCTJ-UHFFFAOYSA-N 436.519 5.080 30 20 IKED CCCc1c(NC(=O)N2CCc3c(F)cc(F)cc3[C@H]2C)cnn1-c1cccc(C#N)c1 439674128 PEHUFPMUNYSBLL-OAHLLOKOSA-N 435.478 5.126 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cnn(CC)c1C(F)(F)F 439910021 QBQMGYYVIQQOHW-UHFFFAOYSA-N 449.246 5.044 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@@H](Cc3ccc(F)cc3)c3ccccc3)ccc21 447601576 QIYYRLLGPKNFEU-VWLOTQADSA-N 427.523 5.805 30 20 IKED COCCCCc1cccnc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 463032636 ZKPCRSSRNHWQAD-UHFFFAOYSA-N 435.911 5.620 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2cccc(C3CCC3)c2)cc1Cl 464107462 FZGBHCZXSSAXQT-QHCPKHFHSA-N 443.934 5.840 30 20 IKED Cc1cc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc(C)c1OCc1cccnc1 464939870 PDJQSWPNZDLMMV-JWQCQUIFSA-N 425.532 5.189 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)Nc1ncccc1OCCCC#N 466602213 QXKMHCHEQIZWGA-OAHLLOKOSA-N 439.516 5.218 30 20 IKED C=C(C)Cn1c(SCC(=O)N2CC[C@@H](c3ccccc3)C[C@H]2C)nnc1-c1ccco1 466891698 SXCWULJBBHTVPK-UYAOXDASSA-N 436.581 5.001 30 20 IKED COc1ccc(-c2cncc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2)cc1 467077457 BLRSKIWRLVLHHE-SFHVURJKSA-N 447.466 5.649 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cc(Cl)ccc1OC(F)F 467703787 FPUFAUDURWZBDG-GFCCVEGCSA-N 425.888 5.657 30 20 IKED N#CCCn1ccc(NC(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)c(F)c2)n1 470358069 XFBCWPUAAFNSEH-UHFFFAOYSA-N 433.365 5.391 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)n1 474427479 AOWIHXOPZSJZCT-MRXNPFEDSA-N 444.482 5.838 30 20 IKED CC(C)n1cc(C#N)c(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)n1 475071267 XUHLYPWSKZLADK-UHFFFAOYSA-N 444.926 5.023 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 476182547 PZTXKYBTNQSEGR-UHFFFAOYSA-N 437.452 5.083 30 20 IKED C=C(C)[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(F)c(F)c1 477645072 OYQTXNUQZYYGBD-INIZCTEOSA-N 432.776 5.009 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cccc(Oc3ccc(Cl)cc3)c2)n1 480911587 KWWVIIDKDJOUJC-KRWDZBQOSA-N 426.881 5.256 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)s2)cc1 482622917 GKUDALJMUHUFAU-UHFFFAOYSA-N 436.496 5.522 30 20 IKED C[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(NC(=O)NC2CC2)cc1 483048257 ZVXBAUABZHUKIT-KRWDZBQOSA-N 440.503 5.125 30 20 IKED Fc1cccc(Cc2noc(CN[C@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)n2)c1 488172580 SCPZZAYQXZHRMU-QGZVFWFLSA-N 433.327 5.212 30 20 IKED COc1cc(CSc2ccc(C(F)(F)F)nn2)ccc1OCc1cccc(C#N)c1 488798109 BHVQPSBTIKBYQC-UHFFFAOYSA-N 431.439 5.247 30 20 IKED CCOCc1ccccc1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 500931590 SCLNSVFVFFELAP-HSZRJFAPSA-N 433.939 5.854 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2F)nnc1-c1ccc(OC)cc1 501605754 MJBSGQNBYFZYNY-CYBMUJFWSA-N 446.935 5.052 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(C(F)(F)F)nc1C 501775002 WGDQXQVLMHAFFV-UHFFFAOYSA-N 431.227 5.139 30 20 IKED C=CCN(C(=O)c1ccc(COC)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502962523 OITPHCNAJJNGMO-UHFFFAOYSA-N 433.360 6.096 30 20 IKED CCN1CCN(c2ccc(NC(=O)Nc3ccccc3SC[C@@H](C)C#N)c(C)c2)CC1 503228124 YBBQQHKXKHKAGZ-SFHVURJKSA-N 437.613 5.033 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OCc4cccnc4)c3)n2)cc1 503447172 JQEDJSWKIZQBJS-JOCHJYFZSA-N 436.496 5.146 30 20 IKED CCOc1cn(-c2ccccc2)nc1C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 503584415 FPDXJXXPVLVVRZ-IBGZPJMESA-N 428.517 5.193 30 20 IKED CN(C)c1nc2sc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2s1 505439927 KEGHWCYVYOVGKO-GFCCVEGCSA-N 444.994 5.691 30 20 IKED N#C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 505449515 QBOKJRQWXGVXDI-CQSZACIVSA-N 446.315 5.134 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(OC(C)(C)C)CC1 508493550 MBIBNQQJPRRJBH-UHFFFAOYSA-N 439.387 5.134 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1Cl 510022704 GGCVRGVTJFAXJO-LADGPHEKSA-N 444.966 5.391 30 20 IKED CN(C(=O)Cc1c(F)cccc1C#N)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 512916508 JDNFNSUDIXHMJL-UHFFFAOYSA-N 429.373 5.109 30 20 IKED Cc1ccc(-n2ncc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)c2C(C)C)cc1 514031855 YRCIDUZSSAWQID-UHFFFAOYSA-N 441.560 5.475 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H]3c3cccc(F)c3)c2)cc1 515796456 ARIKKTSVGMTOBD-VWLOTQADSA-N 429.495 5.840 30 20 IKED Cc1ccc(-c2ccc(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)c(F)c2)cc1 517362255 YSZUQJYSHYUWDY-UHFFFAOYSA-N 427.523 5.021 30 20 IKED CC(=O)c1c(C)cc(C)c(CSCC(=O)Nc2ccccc2SC[C@H](C)C#N)c1C 517460846 AHRORWUJHSNWHP-OAHLLOKOSA-N 440.634 5.938 30 20 IKED CN(CCC1CCCCC1)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 517467252 RLUHZXHYWAQQPG-UHFFFAOYSA-N 441.519 5.078 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H]3c3cccc4ccccc34)s2)cc1 517712794 PMFZULIKDDXNDC-XMMPIXPASA-N 438.556 6.128 30 20 IKED CCOc1cc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OC(F)F 518259656 QGFVVRQPHAFUCV-AWEZNQCLSA-N 435.496 5.403 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cnn(-c2cccc(Br)c2)c1 519516498 MSJBBQHJLMYCBD-AWEZNQCLSA-N 441.354 5.281 30 20 IKED C=CCN(C(=O)c1cnn(CCF)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 520556026 JPTAMTDMUAMDNJ-UHFFFAOYSA-N 425.316 5.116 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1 521839685 AZUMOJWRTLIHFJ-KRWDZBQOSA-N 445.485 5.745 30 20 IKED C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 521886386 VEUHAENGNMOJEP-MEDUHNTESA-N 443.288 5.330 30 20 IKED Cc1cccnc1[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C(C)C 523807642 HPNCHNHAYCULHV-XMMPIXPASA-N 430.527 5.510 30 20 IKED Cc1cc(N2CCOCC2)ccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 523877063 FCYYFYVMYJBWIO-UHFFFAOYSA-N 447.922 5.401 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N[C@H](c3ccc(F)cc3)c3cccs3)o2)cc1 524385804 UVDDFUMCEDVIMT-HSZRJFAPSA-N 432.476 5.450 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cc(N2CCCC2=O)ccc1F 525558313 GSHFPEDROHNSNK-UHFFFAOYSA-N 445.469 5.119 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cccc(-c3noc(CC(C)(C)C)n3)c2)cc1 525567962 QHZYXKDXIQMXSQ-UHFFFAOYSA-N 432.524 5.284 30 20 IKED C=CCN(C(=O)C[C@@H](C)c1c(C)noc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 532825748 SGMREVVPLDJEHN-CYBMUJFWSA-N 426.498 5.036 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(CN(C)C)c(F)c1 535681553 RGJQOJWDDYCROU-UHFFFAOYSA-N 432.499 5.181 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 536281382 PMSOUOCAYUFEMW-BEFAXECRSA-N 447.507 5.145 30 20 IKED CO[C@H](C)c1nc(CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cs1 536393500 ABAKBJJTNFRTJC-CYBMUJFWSA-N 427.913 5.098 30 20 IKED N#Cc1ccc(SCC(=O)N2CCCc3c(NC(=O)c4ccc(F)cc4)cccc32)cc1 536472013 LVLYFSUNYCJFMS-UHFFFAOYSA-N 445.519 5.021 30 20 IKED C[C@@H](Cc1ccccc1)n1cccc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 538044138 AHWQWMMDYJZHKI-AVRDEDQJSA-N 436.540 5.777 30 20 IKED CN1CC[C@@H](CNC2CCC(C#N)(c3ccccc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 540146765 LZGHPXIRIPGITG-CAEWPTKUSA-N 425.979 5.466 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)NC3CCN(Cc4ccc(C#N)cc4)CC3)s2)cc1 540983158 IZKOUUXOLAXEOI-IBGZPJMESA-N 430.621 5.614 30 20 IKED N#Cc1ccc(CN2CCC(Nc3cccc(C[S@](=O)C4CCCCC4)c3)CC2)cc1 542832406 WXJBRPLAKDRBIC-HKBQPEDESA-N 435.637 5.216 30 20 IKED N#C[C@H](C(=O)c1ccc(OC2CCCC2)nc1)c1nc(-c2c(F)cccc2F)cs1 542878117 RRJRVJJJSKZXRP-OAHLLOKOSA-N 425.460 5.295 30 20 IKED CSc1nccn1-c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 549159618 JRLCAZIWMISDOK-IBGZPJMESA-N 430.558 5.516 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)nc(Cc1cccs1)n2C 557471016 JBVSJYCJJKKBIO-UHFFFAOYSA-N 428.561 5.148 30 20 IKED CC1(C(=O)N[C@@H]2CCSc3ccc(F)cc32)CCN(c2ccc(Cl)cc2C#N)CC1 562862429 DEOZSMUMMDTACK-LJQANCHMSA-N 443.975 5.311 30 20 IKED N#Cc1ccc(CNc2ccc(C(=O)NCc3ccccn3)c(Cl)c2)c(C(F)(F)F)c1 564582033 BYKLFQIKSRCLQY-UHFFFAOYSA-N 444.844 5.168 30 20 IKED C=CCn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CC[C@H](c2ccccc2)C[C@H]1C 576743752 URFZQGJFOZVERP-AKAGGGOCSA-N 428.580 5.482 30 20 IKED N#CCCC[C@H](NC(=O)C(=O)Nc1ccccc1Oc1ccc(Cl)cc1)c1ccccc1 582137203 ADBZXICSKMBEMU-NRFANRHFSA-N 447.922 5.622 30 20 IKED N#Cc1ccc(-c2nc(CC(=O)Nc3ccc(Oc4ccccc4)cc3)no2)cc1Cl 582207225 PSYJOJBJKHZVRL-UHFFFAOYSA-N 430.851 5.235 30 20 IKED C[C@H](NC(=O)C(=O)N[C@H](C)c1cc2ccccc2o1)c1ccc(-c2cccc(C#N)c2)cc1 585692090 KWMBDORUGNGDQD-ZWKOTPCHSA-N 437.499 5.026 30 20 IKED CCN(c1ccccc1)S(=O)(=O)c1cc(NCc2ccc(C#N)cc2F)ccc1Cl 589354808 QXOFIMGPKNSRPH-UHFFFAOYSA-N 443.931 5.178 30 20 IKED C=CCn1c(SCC(=O)N(C)C[C@@H](C)c2ccccc2)nnc1-c1ccc(Cl)cc1 589381247 KQIFTWGTMVYZIZ-QGZVFWFLSA-N 441.000 5.139 30 20 IKED CCc1c(C)sc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c1C#N 609033089 PVWKAGMGJBMFJT-UHFFFAOYSA-N 438.862 5.601 30 20 IKED COCCOc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609062230 HNFNVXDXYDGAQN-UHFFFAOYSA-N 436.895 5.068 30 20 IKED Cc1ccc(S(=O)(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(Cl)c1 609068731 UALZNGUUZRKCCV-UHFFFAOYSA-N 426.925 5.208 30 20 IKED C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 609105343 XPOHKIAKODSHJI-ZHRRBRCNSA-N 443.478 5.123 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)CCCCOc1cccc(C#N)c1)C1CC1 609499966 ADRFRBKYQBVYLF-QGZVFWFLSA-N 430.470 5.878 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 609724385 VBDWBWSQSXKLKG-UHFFFAOYSA-N 439.805 5.729 30 20 IKED CC(C)(CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1cccc(Cl)c1 609943036 BSYGDOOZEZDTEL-UHFFFAOYSA-N 447.922 5.036 30 20 IKED C[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1cccc(C#N)c1 610326359 YUIXBVYZNTYKIW-LLVKDONJSA-N 431.336 5.401 30 20 IKED C[C@H](NC(=O)c1ccccc1Sc1ccc(Br)cn1)c1cccc(C#N)c1 610360011 QBASGTVXZWVMRS-AWEZNQCLSA-N 438.350 5.358 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Nc3cccc4c3CN(c3ccccn3)C4)cn2)cc1 611140762 LEOARCBZRUKUGV-UHFFFAOYSA-N 448.486 5.305 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nnc(/C=C\c2ccco2)s1 611218028 NLWXXEGRSSGKRU-QXMHVHEDSA-N 430.514 5.577 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)nnc1-c1ccccc1F 613388099 LJBSWKFIERNAGJ-LSDHHAIUSA-N 444.963 5.282 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)nnc1-c1ccco1 614011888 DUBOAYPJSQNOCC-SFHVURJKSA-N 442.560 5.249 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C 615517814 JOLMULSPXUOVQC-UHFFFAOYSA-N 435.568 5.096 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1 615714631 ZSVNRIPHBPVLGK-UHFFFAOYSA-N 446.526 5.676 30 20 IKED CCCCN(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[C@H](C)c1ccc(C)o1 615857138 GOBGMWGECITXSH-LJQANCHMSA-N 436.556 5.566 30 20 IKED CC(C)[C@@H]1c2ccccc2CCN1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 615858675 FYPQDRMYIPBVHZ-RUZDIDTESA-N 430.552 5.057 30 20 IKED O=C(c1csc(-c2ccc(F)c(F)c2)n1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 679467398 JMFSBOFSCORJRB-AOOOYVTPSA-N 444.347 5.291 30 20 IKED Cc1c(Br)ccc(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1F 684044866 JTGXDSZLUUPOFQ-RKDXNWHRSA-N 436.165 5.100 30 20 IKED Cn1c(C(=O)[C@@H](C#N)c2nc3ccccc3s2)ccc1-c1ccc(Br)cc1 726318301 KJGHRDKNRMBQFU-OAHLLOKOSA-N 436.334 5.554 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3csc(-c4ccc(O)cc4)n3)c2)c1 726384233 LIVVKVAAJSQMOK-UHFFFAOYSA-N 427.485 5.219 30 20 IKED Cc1cc(-c2noc([C@@H](C)Nc3ccc(OCc4cccc(C#N)c4)cc3)n2)ccc1F 728062783 SWFIXNSXGVCVPQ-QGZVFWFLSA-N 428.467 5.808 30 20 IKED C[C@H](OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(=O)c1cc(F)ccc1F 730375077 CUFWGVXCNUJIJJ-ZDUSSCGKSA-N 425.362 5.196 30 20 IKED N#C[C@H](COC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)Cc1ccc(F)cc1 730695135 RPOIWQVBIPIVAJ-CQSZACIVSA-N 436.430 5.312 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 730989679 MTVDPDOKJDTSEG-SGTLLEGYSA-N 434.348 5.377 30 20 IKED CCc1oc2ccccc2c1C=NOCc1noc(Cc2ccc(Br)cc2)n1 732193698 DAOKOAWAJIKBIH-UHFFFAOYSA-N 440.297 5.282 30 20 IKED CC(C)[C@@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 733047334 QJBKWHNHHIVNBZ-DQEYMECFSA-N 425.532 5.136 30 20 IKED C#CCN(C(=O)N[C@H](c1cccs1)C1CC1)[C@@H]1CCOc2ccc(Br)cc21 733640594 BHHIADLQMQWBFT-XLIONFOSSA-N 445.382 5.130 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccc(SC(F)F)cc1 734979814 UQLGTRRUYSVTCR-UHFFFAOYSA-N 439.413 5.708 30 20 IKED Cc1nc(-c2ccccc2NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)no1 734997842 BYJACTMCYJSYIY-UHFFFAOYSA-N 430.851 5.615 30 20 IKED C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 738814960 WRIOWGLMIVTWHI-INIZCTEOSA-N 442.437 5.178 30 20 IKED C[C@H]1CCCCN1C[C@@H]1CCCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 740484908 XOXDNBDTZCFZKJ-FPOVZHCZSA-N 436.625 5.083 30 20 IKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C(C)C)C2CCC2)c1 740789711 WPLDTYMQVWVBKI-UHFFFAOYSA-N 447.000 5.124 30 20 IKED C[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccc(-n2cccn2)cc1 743626632 YLPMGGXHBGSPPL-QGZVFWFLSA-N 427.533 5.033 30 20 IKED N#C[C@@H](C(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1)c1nc2cc(F)ccc2s1 744115645 LHADTSKXPRKSRQ-ZDUSSCGKSA-N 437.374 5.036 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)s2)c(C)c1 746415527 FDMVBKMEHMCUEP-OAQYLSRUSA-N 439.540 5.850 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748632643 HLWKRJNBXGSQIJ-UHFFFAOYSA-N 432.392 5.036 30 20 IKED FC(F)(F)c1ccccc1ON=Cc1cnc(-c2ccc(Br)cc2)s1 754711761 AJMKSMOVVQAYKT-UHFFFAOYSA-N 427.245 6.004 30 20 IKED N#CCOc1ccc(Cl)cc1CNC1(c2noc(C3CCCC3)n2)CCCCCC1 755188666 LGBKWTGONSNEBC-UHFFFAOYSA-N 428.964 5.622 30 20 IKED CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 755775003 DWVFLLUIZRVLAZ-IZZNHLLZSA-N 427.548 5.393 30 20 IKED C#CCN(Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1)[C@H]1CCc2ccccc21 756485952 KOHDZVUCLILNOH-VWLOTQADSA-N 443.616 5.876 30 20 IKED Cc1ccc(-c2nc(/C=C3\COC/C(=C\c4coc(-c5ccc(C)cc5)n4)C3=O)co2)cc1 759611822 HFORKXAMJZEXEX-XHQRYOPUSA-N 438.483 5.680 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2nnc(-c3ccccc3)s2)cc1 760007156 JKGRUKPHTRGWFR-OAQYLSRUSA-N 425.517 5.182 30 20 IKED C#CCC(C)(C)C(=O)Nc1ccc(-c2ccc(NC(=O)C(C)(C)CC#C)c(C)c2)cc1C 767096854 DQJIDZKZKPHRFQ-UHFFFAOYSA-N 428.576 5.946 30 20 IKED C[C@@H](OC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)c1c[nH]c2ncccc12 767473443 UEMOIRVETYIJQR-MRXNPFEDSA-N 441.512 5.155 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC2(CCOCc3ccccc3)CC2)cc1 771114535 JWZOKKTYIRUMBJ-AREMUKBSSA-N 439.559 5.851 30 20 IKED COc1ccc2c(c1)C(=NO[C@H](C)c1nnc(-c3ccc(Cl)cc3Cl)o1)CCO2 774845102 HWGZJSPVLPROQR-LLVKDONJSA-N 434.279 5.316 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(Cc3ccc(N(C)CCC#N)cc3)C2)n1 775203646 MVKGOBSWLSDEPP-NRFANRHFSA-N 446.620 5.548 30 20 IKED Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 778297344 HRDYKUREJQKRFC-LBPRGKRZSA-N 449.841 5.150 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3ccccc3O[C@@H](C)C#N)c3cnn(C(C)C)c3n2)c(C)o1 780163252 YXWRYLCHCAPRJJ-INIZCTEOSA-N 443.507 5.432 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1csc(-c2ccc(Br)s2)n1 780175874 HPJFJPWWGHSMKD-JTQLQIEISA-N 434.340 5.177 30 20 IKED N#CC1(COC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)CCOCC1 780540014 SJTNNOMJJKLWJE-UHFFFAOYSA-N 436.939 5.139 30 20 IKED COc1ccc(SCCCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 781458586 LTDAJSHCBQDFDR-FQEVSTJZSA-N 433.558 5.439 30 20 IKED CC[C@H](CN(CC)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 785184503 ROOXAFPEFVNRTB-QFQXNSOFSA-N 439.559 5.323 30 20 IKED C#CCNC(=O)C1CCN(C(=O)Nc2ccc(Cl)cc2-c2cccc3ccccc23)CC1 788697964 XFFHMIPXKSEOMO-UHFFFAOYSA-N 445.950 5.154 30 20 IKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C#Cc1ccc(C(F)(F)F)cc1 790660160 RGJXBXCTQYVYRU-UHFFFAOYSA-N 447.844 5.199 30 20 IKED CCn1nc(C)c(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C 796766682 YKZZGKHQMILTMM-MRXNPFEDSA-N 433.364 5.369 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)c1 798065512 VJUCEKCXSOLTPE-MISYRCLQSA-N 431.458 5.132 30 20 IKED CCOc1ccc(OCC)c(NC(=S)Nc2ccc(OC(F)(F)F)c(C#N)c2)c1 799511576 OBANPWVWHYIPJJ-UHFFFAOYSA-N 425.432 5.063 30 20 IKED COCC[C@@](C)(C#N)NC(=O)c1cc(-c2ccc3cc(OC)ccc3c2)nc2ccccc12 809012466 JLXAGUIZHCDFTM-MHZLTWQESA-N 439.515 5.112 30 20 IKED C#C[C@@H](NC(=O)N1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1)c1ccc(F)cc1 812935209 ZUIHOVATELWMIN-GHTZIAJQSA-N 449.551 5.221 30 20 IKED N#Cc1cc(C(=O)OCCSc2ccnc3cc(Cl)ccc23)cnc1C(F)(F)F 815976888 ZALSMTVUDSKDIJ-UHFFFAOYSA-N 437.830 5.123 30 20 IKED C[C@H](NC(=O)c1c(F)cc(C(F)(F)F)cc1F)c1ccc(C(F)(F)F)nc1Cl 817870417 OYYUSLGFIPOQFT-LURJTMIESA-N 432.698 5.542 30 20 IKED N#CCCCCCc1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1 904670830 SOHLHOFUBRMZBL-UHFFFAOYSA-N 436.821 6.223 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(OCc3ccccc3)CC2)cc1 915349929 BKQJRNYYDNEDCQ-AREMUKBSSA-N 425.532 5.555 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cnn(-c2ccc(Cl)cc2)c1 915944402 RAHZIEIPWHZDOZ-UHFFFAOYSA-N 445.935 5.155 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C2CC2)C1=O)Nc1ccccc1 916213334 BFUUXNKWWFKINU-KRWDZBQOSA-N 447.532 5.124 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)/C=C\c2ccccc2OC(F)(F)F)cc1 916703880 RMOKKXJVSYAFQO-KTKRTIGZSA-N 428.332 5.061 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cn(Cc2ccccc2)c2ccccc12 916882902 LZTTYRHZAFGEAM-OAQYLSRUSA-N 427.891 5.304 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916977029 HGPDZHAUWJYRNL-OAQYLSRUSA-N 446.963 5.685 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(OCc2ccccc2C#N)cc1 920106158 SWXOKBRINMIEGV-HSZRJFAPSA-N 433.467 5.132 30 20 IKED C=C(Cl)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(CN(C)C(C)C)CC1 1760368657 IWYYGCXFUBHZAY-UHFFFAOYSA-N 427.980 5.000 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3c(C)nc4sccn34)cc2)CCC1 1789374428 CNWOAZSGWXEQAL-HXUWFJFHSA-N 448.592 5.220 30 20 IKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)CCC1 1790312427 FSEMGAZGDOQOQB-MRXNPFEDSA-N 446.469 5.044 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)cc3F)CCC2)cc1 1790563662 HMVGVVFEUZFECA-HNNXBMFYSA-N 445.922 5.028 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc(F)c3F)CCC2)cc1 1791300729 BJPTWIOPYHYHEY-UHFFFAOYSA-N 438.396 5.063 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Cc3ccccn3)cc2)CCC1 1791766739 ITINQRFWQDTLHW-GBXCKJPGSA-N 431.580 5.163 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)C2 1792573708 QXANLRJNKANXGI-LILSUDLASA-N 429.004 5.074 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](C)c2ccc(Cl)cc2)c1 1792823176 XCLRHJXFQUZDOP-KBVHPQEJSA-N 449.982 5.023 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(C)cc(Cl)c3)CC2)C1 1805459345 LYSUVTVTMDYNGU-UHFFFAOYSA-N 429.004 5.262 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C3CC3)cc2)[C@@H]1c1cccnc1 1810503600 RQLFMOQMQNRUKO-LOSJGSFVSA-N 445.607 5.271 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C)cc2C)[C@H]1c1cccnc1 1811783118 GWTDTNHARFUAQP-ISKFKSNPSA-N 433.596 5.010 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cccnc3s2)n[nH]1 1818573004 NGKQYEAXEGUGPP-PKOBYXMFSA-N 449.580 5.094 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)s2)CC1 1825032393 RJDWQGAGVDXQBJ-NRFANRHFSA-N 449.060 5.332 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C(F)(F)F)CCC2)CC1 1826764595 XEIWPGKOCUCEKS-IBGZPJMESA-N 442.566 5.331 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](F)c2ccccc2)CC1 1828821270 IUDOVOGBMBEPAA-TZRRMPRUSA-N 426.576 5.085 30 20 IKED C=CCNc1nnc(SCc2csc(N(C(C)=O)c3ccc(CC)cc3)n2)s1 11393218 FFRNUVHUJNSLQY-UHFFFAOYSA-N 431.612 5.132 30 20 IKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(C)c(C)c2)[n+]2cccc(C)c2)c(Cl)c1 15248338 IPPXUFBMKXVHFU-UHFFFAOYSA-O 438.016 6.221 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 20055557 RLEAJUWWSTVEPQ-UHFFFAOYSA-N 440.569 5.428 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)nnc1-c1ccc(F)cc1 22217382 KHNDWMVRQBWRMK-ZDUSSCGKSA-N 446.935 5.052 30 20 IKED Cc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c(F)c1 24437694 AZPJQDJMUCXESU-UHFFFAOYSA-N 431.311 5.610 30 20 IKED C[C@@H](NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)c1ccc(C#N)cc1 26110657 HMHLHVCEZPBPBJ-MRXNPFEDSA-N 429.570 5.830 30 20 IKED N#Cc1ccc(CCC(=O)N[C@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)cc1 26130249 CMFSKMLJWWBPJC-HSZRJFAPSA-N 448.448 5.292 30 20 IKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc3c(c2)CCCC3)c1C 28793523 XKPKXSDFSDYOGI-UHFFFAOYSA-O 446.596 5.051 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1cccnc1Sc1ccc(Br)cc1 64456709 LRSDZPDFLJUNRY-UHFFFAOYSA-N 440.322 5.128 30 20 IKED Cc1ccc([C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)c2cccc(S(C)(=O)=O)c2)cc1 301470507 ORVZFYYXMKTDLD-QFIPXVFZSA-N 444.478 5.491 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)c1nc(-c2ccccc2)no1 302853077 WNACDOPJKACOOT-HNNXBMFYSA-N 437.500 5.086 30 20 IKED Cc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1C 303276926 JAZPVBRYWFHKAJ-INIZCTEOSA-N 436.606 5.472 30 20 IKED N#C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(Cl)c1Cl 303419629 XYDYUYZMYVABHA-AWEZNQCLSA-N 433.276 5.020 30 20 IKED Cc1cc(CNC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1-c1ccccc1 427506861 QAEUFUPICRKZPG-SFHVURJKSA-N 443.572 5.169 30 20 IKED CCOc1cccc2cc([C@@H](C)NC(=O)c3cnn(CCC#N)c3-c3ccccc3)oc12 428297550 AOSCRCKDBNBEBG-QGZVFWFLSA-N 428.492 5.100 30 20 IKED Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1sc2ccc(C#N)cc2c1C 429860299 OYFBINUXGNQXLZ-HOTGVXAUSA-N 445.588 5.760 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC(C)(C)[C@H]2c2ccncc2)cc1 432848847 ALSUINBUAHYFCH-HSZRJFAPSA-N 428.492 5.369 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2(c3nc(C)cs3)CCC2)cc1 435136286 AAVBAFMVPOLIGJ-UHFFFAOYSA-N 434.521 5.325 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc(-c2ccccc2)cs1 435895905 DCBARSJPBIQXIM-MRXNPFEDSA-N 439.631 6.076 30 20 IKED C[C@@H](O)C[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 443920219 BLUDHYNWKXBJPI-RDTXWAMCSA-N 433.430 5.137 30 20 IKED Cc1ccccc1[C@@H](CC(F)(F)F)NCC(=O)Nc1ccccc1SC[C@@H](C)C#N 444779474 BZIQPVWNSHIDNR-HNAYVOBHSA-N 435.515 5.469 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2cc(Cl)ccc2Br)c1C#N 445559063 QAUBUNQCKHWIOB-UHFFFAOYSA-N 447.745 5.134 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1noc(C2CCCCC2)n1 448233139 BCDXULAMPIULFI-OAHLLOKOSA-N 430.599 5.241 30 20 IKED Cc1ccc([C@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)s1 461655856 KFLIIRJXCGSRAL-LEWJYISDSA-N 433.581 5.097 30 20 IKED CS(=O)(=O)c1cccc([C@H](Nc2cc(C#N)c3ccccc3n2)c2ccc(Cl)cc2)c1 462922738 DHKYDPPNECRKKT-XMMPIXPASA-N 447.947 5.365 30 20 IKED C=CCN(C(=O)c1cc(COc2ccccc2F)on1)c1nc(-c2ccccc2)cs1 464556068 QTELFSYIIPYCOW-UHFFFAOYSA-N 435.480 5.349 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)c1c(F)cccc1OC 466152289 OMQITDQOITVZCP-CYBMUJFWSA-N 439.300 5.195 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccsc3)C2)cc1Cl 467915262 CKNUKLRZHFKJSZ-RBBKRZOGSA-N 437.952 5.662 30 20 IKED C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 473631040 KDJJYLBANUCXCG-NMEJYPJZSA-N 433.533 5.313 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1 474609202 WPLRBLBIUBDFKK-INIZCTEOSA-N 447.526 6.369 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 478271902 HIICKCOCHAVHOO-SECBINFHSA-N 447.345 5.951 30 20 IKED CC(=O)Nc1sc(NC(=O)c2ccccc2-c2ccccc2C#N)nc1-c1ccccc1 479347668 JVNUKOTYKFLKIR-UHFFFAOYSA-N 438.512 5.559 30 20 IKED C=CCn1c(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)nnc1-c1cccs1 481389899 XCIOETJAFCFCED-UHFFFAOYSA-N 449.483 5.554 30 20 IKED CC[C@@H](NC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1nc(C(F)(F)F)cs1 482373230 RHEDGRKYCCKGMS-SKDRFNHKSA-N 447.351 5.494 30 20 IKED CCOc1cn(-c2ccccc2)nc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 483355935 RWTOIEUPNVKGPF-UHFFFAOYSA-N 440.528 5.222 30 20 IKED C=C(C)Cn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccncc1 489438604 XPUNBAPPXOYDAD-GOSISDBHSA-N 435.597 5.467 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)N[C@@H](C)c3cc4ccccc4o3)o2)cc1 489756493 KZIPROZUKXDSQX-HOTGVXAUSA-N 449.532 5.406 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3cc(C(F)F)ccc3Cl)CC2)c1 497245716 GQDSQNGOCBYGHH-UHFFFAOYSA-N 432.858 5.032 30 20 IKED N#Cc1ccc(SCC(=O)Nc2nc(-c3cc(Br)cs3)cs2)cc1 497939110 BAQSUSOQRWLHFH-UHFFFAOYSA-N 436.381 5.237 30 20 IKED CC(=O)N(c1ccccc1)c1nc(CSc2ccc(C#N)c(C(F)(F)F)c2)cs1 499492346 SDDUWTVQHQXLRS-UHFFFAOYSA-N 433.480 6.010 30 20 IKED CCOc1ccc(-c2nc(CC(=O)Nc3nc(-c4cccc(C#N)c4)cs3)cs2)cc1 501150339 LDWBSZUZNICURS-UHFFFAOYSA-N 446.557 5.385 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1ccc(Br)cc1OC 502574543 AMQINHMKRXQIBF-MRXNPFEDSA-N 449.393 5.084 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CC=CC[C@H]3c3nc4ccccc4s3)CC2)cc1 505123348 FOLLJTDFFYFHPM-FGZHOGPDSA-N 443.572 5.288 30 20 IKED N#C[C@H](NC(=O)c1occc1COc1ccccc1)c1ccc(OCc2ccccc2)cc1 505356280 UGHVYAQLAQSEPV-VWLOTQADSA-N 438.483 5.432 30 20 IKED COc1ccc(-c2nn(Cc3ccccc3)cc2CN(CCC#N)Cc2ccco2)cc1 505765730 HHHYLHWDPZOXIT-UHFFFAOYSA-N 426.520 5.116 30 20 IKED N#C[C@@H](NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1)c1ccc(Cl)cc1 505820536 KZDQKHODYSOLKN-LJQANCHMSA-N 434.908 5.016 30 20 IKED O=C(c1ccc2nc(C(F)(F)F)cn2c1)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 512381548 SEDNUVWYOZIIAO-GOSISDBHSA-N 445.338 5.083 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccc(F)cc2F)cc1)c1nc(-c2ccncc2)cs1 512937687 RIBXSIRXQIBVHN-GOSISDBHSA-N 433.439 5.766 30 20 IKED Cc1ccc2nc(CSCC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)cn2c1 513729283 DSPSXAOMOQAPON-UHFFFAOYSA-N 428.517 5.179 30 20 IKED N#Cc1ccc(NC(=O)CCSc2nnc(-c3ccc4ccccc4c3)o2)cc1Cl 514428313 ZGCHNUNQZITDEV-UHFFFAOYSA-N 434.908 5.536 30 20 IKED CSc1ccc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 514712558 VARIGZDTDCYUOG-GFCCVEGCSA-N 429.567 5.653 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 515257359 OOCGRMTUWVLBGC-OAHLLOKOSA-N 440.425 5.989 30 20 IKED CCCCOc1c(Cl)cc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1OC 519137897 WNZJOJPXJAXORP-UHFFFAOYSA-N 442.943 5.083 30 20 IKED C=CCN(Cc1cccs1)C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 519203693 NSSMRFSKXZRUTB-IBGZPJMESA-N 427.570 5.786 30 20 IKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)c1nc2ccccc2n1C(F)F 520834250 XGOINRNMFRZLIL-LBPRGKRZSA-N 440.441 6.629 30 20 IKED C=CCOc1c(Br)cc(CN[C@H](C)c2ccccc2OC(C)C)cc1OC 520946977 YVWNLIZBLFOPAQ-MRXNPFEDSA-N 434.374 5.661 30 20 IKED COCCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)[C@@H](C)c1ccccc1 521208998 MHSAKGYLOHBDOP-FQEVSTJZSA-N 429.520 5.901 30 20 IKED C[C@H]1CCC[C@H](OCc2cccc(NC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)c2)C1 521700774 UUVVQCRLCJBIJB-LVXARBLLSA-N 446.595 5.003 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N(Cc3ccccc3)CC3CCOCC3)s2)cc1 523627213 MWTNDXUKXDGKEE-UHFFFAOYSA-N 446.576 5.066 30 20 IKED Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)c12 523961135 BKAHYDSREDNADW-LJQANCHMSA-N 436.496 5.812 30 20 IKED CN1CCC[C@@H](CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@@H]1c1cccs1 525036054 OQICWRDUVOEVDK-GBXCKJPGSA-N 431.561 5.225 30 20 IKED COC(=O)[C@@H]1CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c2ccccc21 534160319 MFXURPLCHMAJHJ-LJQANCHMSA-N 446.890 5.311 30 20 IKED CC(C)(C)OC(=O)C1CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 535625321 CQZMEPVJIBLVOS-UHFFFAOYSA-N 440.927 5.198 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCC(OCc3ccccc3)CC2)cc1Cl 536413539 DMTOEAHAZVFBKN-UHFFFAOYSA-N 446.934 5.825 30 20 IKED C=CCCC[C@@H](C)NC(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1 539430407 NGQVYAKVOCVZRS-OAHLLOKOSA-N 427.595 5.158 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1c(F)cc(F)cc1Br 542220499 CLXQGKYNZZODHF-NSHDSACASA-N 441.297 5.139 30 20 IKED CC(C)Oc1ccc(NC(=O)N2CCC[C@H]2c2ccc(Br)s2)cc1C#N 543318648 VTPMYXHZUMVCFZ-HNNXBMFYSA-N 434.359 5.538 30 20 IKED C=C(C)Cn1c(SCc2nc(Cc3c(C)[nH]c4ccccc34)no2)nnc1-c1ccco1 544337032 VISRGZMXWQLEHH-UHFFFAOYSA-N 446.536 5.170 30 20 IKED COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 546840738 DRCWSNMXIPSGCJ-SFHVURJKSA-N 444.556 5.454 30 20 IKED C=CCN(C(=O)c1ccc(F)c(Cl)c1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 546860009 XLCRKFNZCHTHIK-UHFFFAOYSA-N 435.839 5.483 30 20 IKED COCCC[C@H](c1ccc(Cl)cc1)c1noc(-c2cnc(C(F)(F)F)c(C#N)c2)n1 559993004 NFSYIPIVKZJLEN-MRXNPFEDSA-N 436.821 5.234 30 20 IKED Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](CCCC#N)c3ccccc3)cc2)c1 560283890 XOLRACRLDURTGP-XMMPIXPASA-N 427.504 5.277 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C 561238172 OCJKQKWULRTLFN-UHFFFAOYSA-N 447.505 5.632 30 20 IKED CC(C)Cn1ncc(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1C(F)F 566708331 OOVJZSZPXQUPBG-UHFFFAOYSA-N 426.427 5.180 30 20 IKED C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](c2ccccc2)c2ccccc21 568133610 DTXXUKUTWIUUJH-JOCHJYFZSA-N 446.514 5.064 30 20 IKED CC[C@H](c1ccccc1)c1nnc(Sc2c(C#N)cnc3c(F)c(F)c(F)cc23)o1 568427529 ARZZXLHSWZFVQK-CYBMUJFWSA-N 426.423 5.600 30 20 IKED CC(C)n1c(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)nc2ccccc21 578173286 GMZYPPJABWGPPH-UHFFFAOYSA-N 440.572 5.711 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)c(C)c2c1 591206377 INMNCHIFNMXLOE-UHFFFAOYSA-N 438.483 6.179 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1Cl 603673413 SUXVYSRJCYZSLD-GOSISDBHSA-N 448.935 5.678 30 20 IKED N#Cc1cc(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1Cl 603971000 GSLWBMDDVMOHHE-IBGZPJMESA-N 442.327 5.321 30 20 IKED Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 603995649 RGYJIPWRRBBQFY-UHFFFAOYSA-N 432.483 5.433 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H]3CCN(c4ccc(F)c(F)c4)C3)cc2)cc1 604460593 DIJWDFSQKXQVND-GOSISDBHSA-N 448.473 5.277 30 20 IKED N#C[C@@H](C(=O)c1csc(Cc2ccccc2F)n1)c1nc2cc(Cl)ccc2s1 605257530 KRGSNSOMTUWUQL-ZDUSSCGKSA-N 427.913 5.626 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[C@H](C#N)c3nc4cccc(C)c4[nH]3)cc12 605363293 SPWLVNYMANLZDK-KRWDZBQOSA-N 445.935 5.724 30 20 IKED C[C@H](CC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 606174883 UYACMZIPPDOCPV-RABLLNBGSA-N 449.357 6.225 30 20 IKED N#CCc1ccc(NC(=O)NCc2ccc(OCCOc3ccc(Cl)cc3)cc2)cc1 609115363 BIOFBSFSHDLAJZ-UHFFFAOYSA-N 435.911 5.186 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NC[C@@H]3CCN(CCc4ccccc4)C3)c2)cc1 609208682 FMPCQRRCWGLQJA-QHCPKHFHSA-N 440.547 5.037 30 20 IKED Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)CC2 609323769 FTRXDBCNZRPJDJ-VWNXMTODSA-N 443.934 5.046 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 609358449 QRMSBOYNIFFJBJ-UHFFFAOYSA-N 431.521 5.049 30 20 IKED C[C@@H](C#N)CSc1ccccc1NCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 609384697 IVAUHVWNNXBUAP-INIZCTEOSA-N 439.968 5.580 30 20 IKED C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 609387723 JATOUITVLVYWLU-KFWWJZLASA-N 436.408 5.923 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 609430332 PHLKVBGYMNTCKZ-UKRRQHHQSA-N 448.375 5.379 30 20 IKED Cn1ccnc1[C@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1ccc(Cl)cc1 609985241 BXDXKBRBMKRWIW-HSZRJFAPSA-N 441.922 5.208 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(NC(=O)c4ccccc4)c3)c2)cc1 609991648 XODPEMKIYYCHIK-UHFFFAOYSA-N 432.483 5.806 30 20 IKED C[C@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)c1ccccc1-c1ccc(Cl)cc1 610068923 ZHGWXSVUADBQNK-INIZCTEOSA-N 441.922 5.138 30 20 IKED C[C@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1cccc(F)c1 610224225 JPJGTVNUNCWOOH-LBPRGKRZSA-N 433.430 5.506 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 610632287 NHCNGWNGHZQELI-IJLUTSLNSA-N 425.398 5.143 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(CCCO)[C@@H]3CCCc4ccccc43)cn2)c1 610660836 IKFDEDQUNDRYDB-XMMPIXPASA-N 442.519 5.039 30 20 IKED C[C@]1(C#N)CCCN(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)C1 612358644 PSQUCCIYOLICCC-TZIWHRDSSA-N 430.321 5.013 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618300264 ABRXCWCJOOASMK-TXEJJXNPSA-N 440.384 5.461 30 20 IKED CC(=O)N(c1nc(/C=C2/CCOc3ccccc3C2=O)cs1)c1ccc(F)cc1F 728441793 PWVFGSVBYURYGP-UVTDQMKNSA-N 426.444 5.155 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1F 730689261 CVULXYFVDVSFQZ-CYBMUJFWSA-N 445.903 5.926 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1 730896881 XYCVQWAWOGTIFH-YADHBBJMSA-N 439.437 5.216 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc(C)c1OC(F)F 730920821 PUYXKODTEODLAE-OAHLLOKOSA-N 427.234 5.173 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCC(=O)N(CCC#N)c3ccccc3)n2)cc1 733679775 NYOTUMUWRKWXPS-NRFANRHFSA-N 442.544 5.022 30 20 IKED O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccncc1)c1c(Cl)nc2ccccn12 737448393 GHKRWKOBDYTSLH-KTKRTIGZSA-N 425.879 5.132 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)s2)[n+]2cc(O)cc(Cl)c2)c1 738008461 QSJWRUZXGBEWJG-UHFFFAOYSA-O 448.376 5.353 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3ccccc3OCc3ccc(Cl)cc3)o2)c1 741836276 VKBXMTHFGWJVCR-UHFFFAOYSA-N 445.862 5.198 30 20 IKED CCN(C(C)=O)c1nc(C=NNc2c(Cl)cc(Br)cc2Cl)cs1 741841998 DDUAYGXFVMZQAM-UHFFFAOYSA-N 436.162 5.031 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1 743094915 FNGBPNYDJLULND-HSZRJFAPSA-N 428.923 5.841 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F 744027711 BODOZDSRICBTHW-RLLQIKCJSA-N 432.426 5.208 30 20 IKED C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(Br)s1 744032390 DXDZKSYJLDIEGW-QPUJVOFHSA-N 446.153 5.268 30 20 IKED O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1cnn(-c2ccccc2)c1 746349741 YVECYELRMDPILA-BUHFOSPRSA-N 431.499 5.075 30 20 IKED CC(=O)CCc1ccc(OCCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 746778047 AKXOFYJWWWQLPN-SANMLTNESA-N 426.516 5.271 30 20 IKED O=C(O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)C1CCN(CC(F)(F)F)CC1 747784153 LZOWXNBSCCXLGH-ZDUSSCGKSA-N 437.302 5.126 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc3cc(O)ccc3c2)cs1 749002597 LVWGXVCUXMDQAA-XYOKQWHBSA-N 428.513 5.891 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccccc3Cl)nc2)cc1C#N 752192603 BOIOAQFRLBASQM-UHFFFAOYSA-N 436.855 5.220 30 20 IKED C[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1nc(C2CCCCC2)no1 752995010 CWPSEMWQYAPMBS-OAHLLOKOSA-N 435.553 5.278 30 20 IKED C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 755603756 YKOOBIXDKRTJDF-SBCUQWKCSA-N 441.443 5.138 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](c3ccccc3)N3CCSCC3)n2)cc1 755612141 MIBMLMHLFFIGTJ-RBBKRZOGSA-N 433.602 5.085 30 20 IKED O=C(/C=C/c1cc(Br)cc(C(F)(F)F)c1)c1cccc(N2CCOC2=O)c1 759077967 XYKYSTSPNSNRKP-SNAWJCMRSA-N 440.215 5.321 30 20 IKED CCC(CC)c1cc[n+](/C(C(=S)N[C@@H]2CCCC[C@H]2C)=C(/O)c2ccc(C#N)cc2)cc1 762440968 PVADHBPGIKFRMZ-NTKDMRAZSA-O 448.656 6.129 30 20 IKED CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 765590648 XAEBLBMNCRTPHM-GDBMZVCRSA-N 441.459 5.442 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 767324335 NHHVHLSLKFUVJG-AZUAARDMSA-N 431.458 5.085 30 20 IKED COc1cccc([C@@H](C#N)NC(=O)[C@H](Sc2ccccc2F)c2ccccc2)c1OC 768157801 UMGQNUVZHQMLAO-AUSIDOKSSA-N 436.508 5.057 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H]2CCc3c(Cl)cc(Br)cc32)ccc1OC 772986724 QLHVMWCCBJAEIY-DNVCBOLYSA-N 449.776 5.569 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H](c2ccc(Br)cc2)C2CC2)ccc1OC 774450924 WDRDNYJGQDFCEN-SIKLNZKXSA-N 429.358 5.380 30 20 IKED C[C@@H](OC(=O)[C@H](Sc1ccccc1)c1ccccc1)C(=O)N(CCC#N)c1ccccc1 775202045 YPVNMOXZZHGFMT-HYBUGGRVSA-N 444.556 5.399 30 20 IKED C#CCN(C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F)C1CCCC1 776296169 DIUCWSVHYBYYEB-UHFFFAOYSA-N 429.442 5.367 30 20 IKED CC(C)c1cccc(-c2ccc(C(=O)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)o2)c1 776343355 AUQRKUXXTYUVQD-UHFFFAOYSA-N 429.520 5.155 30 20 IKED N#Cc1cc(N[C@H]2CCCc3nc(-c4ccccc4F)sc32)ccc1N1CCC(O)CC1 777114625 KHBVFKLBOLCRJS-NRFANRHFSA-N 448.567 5.271 30 20 IKED CC(C)(C)n1cc(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c(Br)n1 777860640 VFEKYRXPXZMSLS-UHFFFAOYSA-N 439.313 5.317 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1csc(-c2ccc(F)c(F)c2)n1 780306268 TVHYZHZWGGDILK-MRXNPFEDSA-N 433.439 5.203 30 20 IKED FC(F)Oc1ccccc1[C@@H](NCc1ccc(Cl)nc1C(F)(F)F)C(F)(F)F 787279446 MCAJBXAMVQLPQY-CYBMUJFWSA-N 434.714 5.748 30 20 IKED COc1ncc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1Cl 789157175 KJNMIDLVCVOZIG-RMKNXTFCSA-N 427.913 5.089 30 20 IKED COc1ccc(C(=O)CCCCCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 789348217 RZZMDGLQGQYFPQ-GOSISDBHSA-N 440.952 5.968 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F 797507113 QHGMZBKOMWHDRC-UHFFFAOYSA-N 429.557 5.646 30 20 IKED C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccc(C(F)(F)F)cc1 798819659 FERDPCGBFZJCJZ-ACJLOTCBSA-N 425.435 5.681 30 20 IKED C[C@@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(C(F)(F)F)s1)c1ccc(Cl)cc1Cl 802798991 CPVPVIWUXTYXPZ-KCJUWKMLSA-N 435.254 5.274 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)[C@@H](C)Cc1cncc2ccccc12 807990229 YNZMCOBKQYYQRK-AWEZNQCLSA-N 439.309 5.052 30 20 IKED CC(=O)N(c1nc(COc2ccc(F)nc2C#N)cs1)c1c(C)cc(C)cc1Cl 808047804 WJVZIMRRPWCUOI-UHFFFAOYSA-N 430.892 5.083 30 20 IKED Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C/c1cn(C)nc1C(F)F 812243658 QYSQCDSESNOTBG-BQYQJAHWSA-N 438.297 5.448 30 20 IKED CN(CCC#N)c1ccc(/C=C2\SC(=S)N(c3ccccc3C(F)(F)F)C2=O)cc1 814275029 LGWOHXHLNAROOM-AQTBWJFISA-N 447.507 5.461 30 20 IKED C[C@H](OC(=O)c1ccccc1-c1ccccc1C#N)C(=O)Nc1ccccc1Br 863940034 WKQTZCZGKJDICS-HNNXBMFYSA-N 449.304 5.172 30 20 IKED COc1ccc(N[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1NC(=O)OC(C)(C)C 915224483 OKPXQWUTQQZJJT-ZDUSSCGKSA-N 444.919 5.006 30 20 IKED O=C(CSCc1c(F)c(F)c(F)c(F)c1F)Nc1ccc(SC(F)F)cc1 916087387 RSSACEJYQGVLIV-UHFFFAOYSA-N 429.382 5.569 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(CC(C)C)C2=O)c1 916212334 WWFYPMAKIGRJAT-HXUWFJFHSA-N 427.545 5.059 30 20 IKED Cn1c(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc(Cl)c1Cl 916908097 LFEBJSOCEZKUBJ-AWEZNQCLSA-N 428.275 5.085 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)Nc1ccccc1Cl 916910767 SXCVBOJLXJARFR-AWEZNQCLSA-N 430.316 5.007 30 20 IKED N#C[C@H](C(=O)CCc1ccccc1Br)C(=O)Nc1cc(Cl)cc(Cl)c1 916946067 JKSHBWFQAHEITO-OAHLLOKOSA-N 440.124 5.036 30 20 IKED N#Cc1ccc(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(C(F)(F)F)c1 917737580 FQNSYBDLQXJICW-LJQANCHMSA-N 441.434 5.033 30 20 IKED Cc1cc(-c2noc([C@H](C)OC(=O)c3ccc(COc4ccccc4C#N)o3)n2)ccc1F 919514276 RBKNAQUMXUWMPO-HNNXBMFYSA-N 447.422 5.146 30 20 IKED COc1ccc(Sc2ccc(NC(=O)c3ccccc3SCC#N)cc2Cl)cc1 921036851 PAEMPGPVDOJOEY-UHFFFAOYSA-N 440.977 6.368 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cccc4cc(C)[nH]c34)cc2)CCC1 1789015776 GWGHSKSMKBBAKT-UHFFFAOYSA-N 445.563 5.207 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4cccnc4)cc3)cc2)CCC1 1790589191 CZQREXHJZSDKSG-UHFFFAOYSA-N 438.531 5.046 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3ccc4occc4c3)CCC2)cc1)C(F)(F)F 1791303152 NTRRMVZXQQTICI-UHFFFAOYSA-N 428.410 5.299 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2sccc2Cl)[C@@H]1c1cccnc1 1810501668 CHLLWVKQYPTANT-IEBWSBKVSA-N 446.016 5.109 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C)c(F)c2F)n[nH]1 1823194887 WBFNMAUZSWIADF-VQIMIIECSA-N 442.510 5.071 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3nc(C)sc23)CC1 1828096098 MOAUBDLFIMLZJE-VGOFRKELSA-N 439.625 5.050 30 20 IKED CCC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)CCC1 1829690300 VOGUJUISLVIMHT-NRFANRHFSA-N 442.003 5.025 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)cccc2Cl)CC1 1829899818 RXDIEKLZSVWFHP-UGKGYDQZSA-N 446.994 5.481 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(OC)c2)CC1 1830457592 AFBDNFCYILIVMY-VWLOTQADSA-N 438.612 5.005 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1 1831371906 OMKVLHRXAILFCE-AUSIDOKSSA-N 449.595 5.096 30 20 IKED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCCC(C)(C)C)CC1 1831574692 UXRXAXGMGFOBOW-GMAHTHKFSA-N 434.665 5.194 30 20 IKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](c2ccccc2)[C@H](C)CC)CC1 1831849386 XCYGRQPJNUDUKF-AVPJRLCVSA-N 436.640 5.240 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)c(F)c2F)CC1 1832613684 LSMLSMAKBLKDDU-IRLDBZIGSA-N 444.566 5.275 30 20 IKED C=CCN(C(=O)c1ccccc1Br)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14724183 HIHFVRYAKZNNQX-UHFFFAOYSA-N 444.310 5.314 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc(C(C)(C)C)cc2)cc1C 15247816 SWZLLVZJVKCSSW-UHFFFAOYSA-O 449.615 6.387 30 20 IKED C[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)N1CCc2ccccc21 33055630 OULLXYUQGSMQCN-LJQANCHMSA-N 427.573 5.032 30 20 IKED CCCOc1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1OCC 46668006 BZACBGJHBOWRJI-UHFFFAOYSA-N 431.492 5.494 30 20 IKED C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 72040949 KSLIBCXBYWEZSR-CQSZACIVSA-N 436.855 5.351 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cc1 97287999 OBKYSJPMDKYSEI-SANMLTNESA-N 442.584 5.436 30 20 IKED C#CCN(C(=O)c1oc2ccccc2c1CSc1nnc(C)s1)C1CCCCC1 109727408 MCYSAPQKEIJWFN-UHFFFAOYSA-N 425.579 5.293 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1cccc(OC2CCCC2)c1 110593750 OAPPEUBUOPSLPZ-UHFFFAOYSA-N 441.531 5.947 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1NC(=O)c1ccccc1 195662607 CCVHXETULAQEIS-FQEVSTJZSA-N 438.512 5.256 30 20 IKED Cc1c(C(=O)/C=C/c2ccccc2OCc2cccnc2)nnn1-c1cccc(Cl)c1 302987777 IVQFMPQMSZXRLH-VAWYXSNFSA-N 430.895 5.099 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)CC2)c1 303239669 IRHXQZJLASBCLD-UHFFFAOYSA-N 448.526 5.095 30 20 IKED O=C([C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 303930189 VKGVMBYZQBVMAM-WDEREUQCSA-N 435.286 5.032 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)c1 409571272 PUJGOPYRECETHF-JYFHCDHNSA-N 426.516 5.035 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cccc(OC(F)F)c1 409637418 JQWFUXTWWBNIPJ-UHFFFAOYSA-N 443.263 5.087 30 20 IKED CCCn1ccnc1CCCN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 429741537 WBVQRBWXTHNCEU-UHFFFAOYSA-N 431.540 5.362 30 20 IKED CCOc1cc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)ccc1OCc1cccnc1 430614701 ZXFWUSVWUVNDBS-SFHVURJKSA-N 435.549 5.303 30 20 IKED COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)c2cccc(SCC#N)c2)CCC3)cc1 430924766 JHDJZQBDEXNQQC-IBGZPJMESA-N 435.574 5.242 30 20 IKED COCCn1nc(C)c(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C 431076639 GFQPASVIFSHLFL-HXUWFJFHSA-N 437.931 5.099 30 20 IKED Cc1cnc(C(C)(C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)s1 431181488 RNNYVVPDFOOLKB-UHFFFAOYSA-N 440.956 5.612 30 20 IKED N#CCCC[C@@H](NC(=O)NCc1ccc(-c2nc3ccccc3s2)o1)c1ccccc1 431773833 WOIVZNYLZFHLRH-LJQANCHMSA-N 430.533 5.791 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCOC[C@@H](C4CCC4)C3)cc2Cl)cc1 432766613 DDJCLHOGNCMJFG-SFHVURJKSA-N 425.916 5.284 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1ccccc1 432914910 FLEDTCGTYXFFKV-LJQANCHMSA-N 427.430 5.448 30 20 IKED N#C[C@H](C(=O)c1ccc2c(ccn2Cc2ccccc2)c1)c1nc(-c2ccncc2)cs1 433146750 MBSMRWRBTFXARP-JOCHJYFZSA-N 434.524 5.698 30 20 IKED CSc1ccc(NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1Cl 439305830 KYSNZPATDOWYLO-UHFFFAOYSA-N 437.908 5.303 30 20 IKED N#Cc1ccc(C2(C(=O)Nc3cccc(CNC(=O)Nc4ccccc4Cl)c3)CC2)cc1 444104997 MFZFYTMQJHIHTG-UHFFFAOYSA-N 444.922 5.204 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@@H](c3nc(C(C)(C)c4cccc(Cl)c4F)no3)C2)n1 445590404 BVBKLZMAGKVMBV-MRXNPFEDSA-N 439.922 5.147 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCn2c(cc3ccc(Cl)cc32)C1 447395483 IRPDVTJQXIPXSK-MRXNPFEDSA-N 438.984 5.001 30 20 IKED C=CC[C@@H]1N(c2nnc(COCc3ccccc3)n2C[C@H]2CCCCO2)CCCC1(C)C 461827816 FUSDRMYDRIUWBW-PKTZIBPZSA-N 438.616 5.135 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccnc(Oc2cccc(C)c2C)c1 466521864 YWPNSYBFXXKGRT-UHFFFAOYSA-N 426.520 5.260 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cncc(-c4ccc(C)cc4)c3)n2)cc1 467070519 DYVPVHTVFQAMHP-QFIPXVFZSA-N 425.513 5.679 30 20 IKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(CCC(F)(F)F)CC(F)(F)F 468540061 ABRHEIYNWIWNSB-UHFFFAOYSA-N 435.208 5.681 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@@H](c3ccccc3)c3ccc(Cl)cc3)ccc21 468797297 BPYAGIFMYGGLGH-SANMLTNESA-N 429.951 6.124 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3cccc(COc4ccccc4)c3C)C2)n1 471443511 MKGZKRBAKWIRGX-JOCHJYFZSA-N 440.547 5.004 30 20 IKED Cc1ccc(C)c([C@@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 474736415 CKHVMWOHAQSFCW-MHZLTWQESA-N 439.559 6.318 30 20 IKED CCCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@H](c1cccnc1)c1ccc(F)cc1F 475762936 OMZHGTVAYUDWKZ-RXFWQSSRSA-N 433.502 5.775 30 20 IKED CO[C@@H](C)c1nc(CSc2nc(-c3ccc(C)o3)cc(C(F)(F)F)c2C#N)cs1 476483238 ONPATOCTHHJHDU-NSHDSACASA-N 439.484 5.997 30 20 IKED N#CCc1ccc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C4)C3)cc1 477150549 LOVYVLGAASXGMC-JYNKYNDGSA-N 444.419 5.813 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCc1cccc(OCc2cccc(C#N)c2)c1 478272052 IDVGNZSJSRQHRM-MRXNPFEDSA-N 442.485 5.364 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(C)n(-c2ccccc2Cl)n1 480681202 HEEJFXWYKCOTCI-UHFFFAOYSA-N 426.952 5.222 30 20 IKED CCN(C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1)CC(F)(F)F 480799846 APBIKDSIHJTNLF-GOSISDBHSA-N 446.473 5.089 30 20 IKED N#Cc1ccc(CN(C(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)C2CC2)cc1 482406856 RSFJWDIOWXUHOI-SFHVURJKSA-N 439.384 5.137 30 20 IKED N#CCCN(C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)C12CC3CC(CC(C3)C1)C2 486588792 XPFQTEFUALNBDX-UHFFFAOYSA-N 449.986 5.123 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 488334028 QGAUXPMQGACYOP-GFCCVEGCSA-N 438.431 5.330 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCCN3C(=O)c3ccco3)cc2Cl)cc1 490741757 CFXSMJMROCZKHC-HXUWFJFHSA-N 449.894 5.230 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)o1 491975712 GCONHKOYEASZKK-GOSISDBHSA-N 426.394 5.427 30 20 IKED CCCOc1c(Br)cc(C(=O)N(CCC)Cc2ccc(C#N)cc2)cc1OC 498442854 PEIWWCUZBGUUTK-UHFFFAOYSA-N 445.357 5.171 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(Br)ccc1F 500744454 PSGICRLOYJIJJG-UHFFFAOYSA-N 425.257 5.813 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3csc(Br)c3)c2)cc1 501450652 HTKZQESDOPLZAZ-UHFFFAOYSA-N 427.323 5.408 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1cc(C(=O)N2CCCCCC2)ccc1OC 502653255 MCBFUVJZXXFRPJ-UHFFFAOYSA-N 439.531 5.071 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(OC3CCCC3)CC2)cc1 508290658 SKYYKGDDFXDPBQ-UHFFFAOYSA-N 435.524 5.315 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(OCc3ccccc3)nc2)cc1 508982810 WILBKKDCSVIZIY-UHFFFAOYSA-N 449.510 5.558 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 510662754 DXUWXXNQJKSPKW-FQEVSTJZSA-N 440.503 5.233 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 511322272 LOCVJUULAJGTJO-RUZDIDTESA-N 445.950 6.258 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)C[C@H]2OCCc3ccccc32)cc1 513866058 NJSSKOIGGJHJSE-RUZDIDTESA-N 443.503 5.137 30 20 IKED COCCOc1cc(C)ccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 513981116 GCWFQTHHVYUFPV-UHFFFAOYSA-N 447.510 5.265 30 20 IKED CCc1cccc2c1OCC[C@H]2NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 513998301 AVIUWNXJWZJAID-RUZDIDTESA-N 441.531 5.539 30 20 IKED N#Cc1cccnc1Oc1ccccc1NCc1nc(-c2ccc(C(F)(F)F)cc2)no1 515670956 FWEOLBMWAQADAA-UHFFFAOYSA-N 437.381 5.426 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)n1C1CCCCC1 516270053 LPSABSQUQOFJOJ-JOCHJYFZSA-N 428.561 6.095 30 20 IKED Cc1ccc(-c2noc(CSCC(=O)Nc3ccccc3S[C@@H](C)CC#N)n2)cc1 518147828 VJQQZXFABZAGPQ-INIZCTEOSA-N 438.578 5.311 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(-n2cnc3ccccc32)cc1 518260090 UYAMFJCWGMDQDJ-GOSISDBHSA-N 441.560 5.741 30 20 IKED C[C@@H](Oc1ccc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cn1)c1ccccc1 518320621 RKQHESGSFIHNLS-FOIQADDNSA-N 425.410 5.235 30 20 IKED C=CCOc1c(Br)cc(CN[C@H](C)c2ccc(OC(C)C)cc2)cc1OC 520979571 FYPPDFUOYSGTHY-MRXNPFEDSA-N 434.374 5.661 30 20 IKED C[C@H](C#N)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 521602925 JPPPPYZLJKKEAV-SQFNAUOLSA-N 440.503 5.252 30 20 IKED COc1cccc(Oc2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2)c1 522570914 FEQRAIZBIGZVPW-UHFFFAOYSA-N 440.455 5.783 30 20 IKED C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1occc1COc1cccc(C#N)c1 522571980 RFUPPKQHOASFKD-CQSZACIVSA-N 429.303 5.398 30 20 IKED Cc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)Nc2cc(C)nn2CCC#N)cc1 523317464 NLGAWGDODGADQL-HEHNFIMWSA-N 447.542 5.701 30 20 IKED CC[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(F)cc1F 524128398 PLZNIMKDXRCYTR-HSZRJFAPSA-N 435.474 5.883 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 524296268 PRUDHVLYFZHJGQ-UHFFFAOYSA-N 437.421 5.743 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 524487659 YBWUSPZUCAPNEV-SFHVURJKSA-N 427.529 5.641 30 20 IKED Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccccc1Cl 530603902 GRQRLIACNWVWLM-NRFANRHFSA-N 438.314 5.018 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1Cl 536435266 ANLVYMMRBPBFLC-SIKLNZKXSA-N 435.955 5.093 30 20 IKED CCCc1nc2ccccc2n1CCC(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 536690085 DODJVIMIFMECMZ-UHFFFAOYSA-N 439.519 5.385 30 20 IKED C[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 536880039 WWWNQZYHCMTNRE-KRWDZBQOSA-N 435.511 5.124 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCCOc3cc(F)ccc32)cc1 538614064 BHMJXVWUWPBDIQ-DEOSSOPVSA-N 445.494 5.506 30 20 IKED CC(C)(C)OCc1ccccc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 539145277 DZWKLHUVVDOJRA-MRXNPFEDSA-N 426.488 5.893 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)Cc3cccc(OCc4cccnc4)c3)c2)c1 539945875 GMQAVJUADVLUFS-UHFFFAOYSA-N 449.510 5.292 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)c3cnn(C(C)C)c3n2)cc1 540778695 FVKPVPZMEZOGBF-LJQANCHMSA-N 443.576 6.058 30 20 IKED Cc1nn(C)c(C)c1[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(F)(F)F 540816522 DNOBOFUWWKZBPE-HXUWFJFHSA-N 443.429 5.126 30 20 IKED COCc1c(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)sc2cccc(F)c12 541146931 YPBJIWZLTHSRBN-UHFFFAOYSA-N 440.887 5.150 30 20 IKED Cc1sc([C@@H](C)NCC(=O)N(CCC#N)c2ccccc2)nc1-c1ccc(Cl)cc1 544471556 VGSVCNPVWAYQAB-MRXNPFEDSA-N 438.984 5.369 30 20 IKED CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)c1ccc(Cl)c(C#N)c1 544595260 SSQFQHXEAXACKH-UHFFFAOYSA-N 425.891 5.491 30 20 IKED N#Cc1ccc(Cc2cnc(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)s2)cc1 544668508 QPXWXNVWHIHNKQ-UHFFFAOYSA-N 433.518 5.249 30 20 IKED C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H](Nc2ccccc2)C1 549691172 XWVCVGNBKGVHPL-OAQYLSRUSA-N 449.624 5.236 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1COCc1ccccc1 550227827 DOKZRLHFMYHVON-UHFFFAOYSA-N 427.548 5.395 30 20 IKED C[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(-c2ccncc2)cc1 557559226 KYVHPWFDVPVPFE-MOPGFXCFSA-N 430.577 5.290 30 20 IKED CCc1c(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cnn1CCC(C)C 557664732 MNSYMNGGZHALCF-UHFFFAOYSA-N 442.007 5.262 30 20 IKED N#C[C@H](C(=O)c1ccc2nc(C(F)F)[nH]c2c1)c1nc(-c2c(F)cccc2F)cs1 558393261 OLVMGEMGFLSOFC-SNVBAGLBSA-N 430.386 5.392 30 20 IKED C[C@H](Oc1ccccc1C#N)c1nc(-c2ncoc2-c2cccc(C(F)(F)F)c2)no1 561933806 XWEAQLMKFRGDKF-LBPRGKRZSA-N 426.354 5.422 30 20 IKED Cc1sc(C2(NC(=O)c3ccc(C4(C#N)CC4)cc3)CCC2)nc1-c1ccccc1F 569615397 IIKTXQCVILJKJW-UHFFFAOYSA-N 431.536 5.622 30 20 IKED C=CCn1c(Cc2ccccn2)nnc1N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 571331205 RPZYVIUNRFYTOZ-UHFFFAOYSA-N 426.351 5.050 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(-c2cccc(-c3n[nH]c(C)n3)c2)no1 571923413 WVPZRZPINXCRHQ-UHFFFAOYSA-N 427.386 5.081 30 20 IKED N#Cc1ccc(CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c(C(F)(F)F)c1 575844294 VXBKYVLIQHNSTG-KRWDZBQOSA-N 430.405 5.146 30 20 IKED C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@@H]1c1csc(C)n1 579410581 ONADXSIXBNVHRZ-OAQYLSRUSA-N 447.564 5.410 30 20 IKED C=C(C)COc1cccc(NC(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)c1 589739604 XQRCFQNYPHWIBU-UHFFFAOYSA-N 439.519 5.211 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cccc1[N+](=O)[O-] 603838578 UESVUTFHHOILPA-CQSZACIVSA-N 432.288 5.824 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)nnn1-c1ccccc1 604026299 BOBMHNXUZWCEDD-UHFFFAOYSA-N 429.867 5.145 30 20 IKED CC1CCN(c2ccc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cn2)CC1 608903140 DPEABARYFONGLD-UHFFFAOYSA-N 426.520 5.021 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)o1 608948275 AVOYDRZCUKSFFU-UHFFFAOYSA-N 440.421 5.211 30 20 IKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 609129208 SLRLBANAGFOGCX-JYFHCDHNSA-N 426.516 5.590 30 20 IKED COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1SC 609176231 COVZWSJERLXGOQ-UHFFFAOYSA-N 435.461 5.242 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 609503861 AIZMBAVAAUFZSU-UHFFFAOYSA-N 448.482 5.559 30 20 IKED COc1ccc(COc2cccc(F)c2)cc1NC(=O)Nc1cccc(OCCCC#N)c1 609601900 CUHDAICPFOQMIS-UHFFFAOYSA-N 449.482 5.740 30 20 IKED N#CCc1ccc(OC[C@H](O)Cn2c(-c3c(F)cccc3Cl)nc3ccccc32)cc1 610008544 XEBGONJUPHWUAJ-QGZVFWFLSA-N 435.886 5.002 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(C(=O)OC(C)(C)C)c1 611432075 OBTARZNKPUKGOM-INIZCTEOSA-N 425.554 5.215 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(SCc4nc(C)no4)cc3)n2)cc1 613314400 NHMVDXIGMFMGIS-IBGZPJMESA-N 446.557 5.592 30 20 IKED CCCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)[nH]c(C)c1C(C)=O 613319567 IIXXFGZAXTXONP-QGZVFWFLSA-N 425.941 5.745 30 20 IKED COc1ccccc1OCc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)o1 613392442 QSRWIGKAHILJMS-SFHVURJKSA-N 430.485 5.481 30 20 IKED N#C[C@]1(F)CCN(C(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)C1 615528461 DAWPKTMDDQVSHJ-JOCHJYFZSA-N 440.862 5.043 30 20 IKED CCOCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@](C)(C#N)C1 619840453 DHNMUAATFHHBHP-JOCHJYFZSA-N 444.004 5.370 30 20 IKED COc1ccccc1-c1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cs1 622255341 PPLRHWZDKKWCMR-QGZVFWFLSA-N 431.542 5.741 30 20 IKED C=C(CNC(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1)c1ccccc1 672480686 DHYZIJOVSONCKR-UHFFFAOYSA-N 425.326 5.175 30 20 IKED C=CCC[C@@H](NC(=O)N[C@@H](C)c1ccc2nc(O)[nH]c2c1)c1ccc(C(F)(F)F)cc1 676760294 AGYMPRVHJNQYSV-SUMWQHHRSA-N 432.446 5.355 30 20 IKED CC(C)(C)OCc1ccccc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 678640654 NZBJHPAELIVFSF-MRXNPFEDSA-N 432.467 6.120 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccccc3C(F)(F)F)n2)cc1 727232506 MKHYQSCZWTYKNW-CZUORRHYSA-N 446.450 5.481 30 20 IKED CCOc1ccc(OCC)c(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1 727980496 NZOLGLUPCQQGRG-UHFFFAOYSA-N 447.560 5.744 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3csc(-c4ccccn4)n3)cc2Cl)c1 728000109 URMKPCJWOJEHBC-UHFFFAOYSA-N 446.919 5.561 30 20 IKED C=CCOc1ccccc1C(=O)OCc1csc(N(C(C)=O)c2cccc(C)c2C)n1 728324260 ZQYRCFUILMVEJF-UHFFFAOYSA-N 436.533 5.366 30 20 IKED CCC(CC)(Cc1nc2ccccc2s1)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 730420391 DCSHVYYMEZTQSF-HNNXBMFYSA-N 437.565 6.270 30 20 IKED COc1cc(C(=O)/C=C\c2ncc(-c3cccc(Br)c3)[nH]2)ccc1SC 731937115 FZMABMKABYTCTP-CLFYSBASSA-N 429.339 5.466 30 20 IKED N#Cc1ccccc1NC(=S)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 731946539 SWIJPPDQTAOERH-UHFFFAOYSA-N 445.523 5.096 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)ccc1OC 733657700 XZHQCJNFLVQZAG-SFHVURJKSA-N 436.339 5.025 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 733844090 ZRXKUUBEFWIRQD-FQEVSTJZSA-N 426.476 5.497 30 20 IKED O=C(Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1)c1ccc(F)nc1 733914850 USHZYWRAYDEZNK-UHFFFAOYSA-N 449.351 5.558 30 20 IKED C=CC[C@@H](NC(=O)N1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3)c1ccncc1 734679813 PEYYULUIEBIZFE-XMSQKQJNSA-N 433.552 5.068 30 20 IKED CC(C)N(CCC#N)Cn1nc(COc2ccccc2Cl)n(-c2ccccc2)c1=S 739842350 ZGDPWGJJCXKJGM-UHFFFAOYSA-N 441.988 5.217 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Nc3cccc(OC[C@@H]4CCCO4)c3)c2)s1 740435933 XIDCPERYZYHEDJ-NRFANRHFSA-N 433.533 5.166 30 20 IKED N#Cc1ccc(NC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)cc1C#N 740684851 QYRIPHPMOYBETC-UHFFFAOYSA-N 446.576 5.003 30 20 IKED CCN(CC)c1ccc2cc(C(=O)/C=C/c3ccc(Oc4cnccn4)cc3)c(=O)oc2c1 743055982 AQGDHLDTRAJMLE-KPKJPENVSA-N 441.487 5.118 30 20 IKED N#C[C@@H](C(=O)C1CCC(c2ccccc2)CC1)c1nc(O)c2c3c(sc2n1)CCCC3 744016855 UYZRVBNSWNQTPC-TVPLGVNVSA-N 431.561 5.426 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(SC(F)F)c(OC)c2)c(Br)cc1O 746345730 JMLVPSNXMNANIO-HYXAFXHYSA-N 445.281 5.383 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 747195951 CNJMFPRWCTZPHS-KRWDZBQOSA-N 449.498 5.014 30 20 IKED CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 750836480 ZZUGEYYFPRNXJC-NIYFSFCBSA-N 438.527 5.130 30 20 IKED Cc1noc([C@@H](C)ON=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)n1 750871557 XDECBPLJRGDZCL-LJQANCHMSA-N 443.503 5.648 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)CCCCc3ccc(Cl)c(Cl)c3)o2)c1 753430295 CTTOWEIAYTYHBZ-UHFFFAOYSA-N 430.291 5.371 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)CC(=O)c3ccc(Cl)cc3)n2)cc1 760202269 QDWGQFQRNOXKJE-KUHUBIRLSA-N 438.936 5.557 30 20 IKED N#Cc1c(F)ccc(/C=C2/COC/C(=C/c3ccc(F)c(C#N)c3Cl)C2=O)c1Cl 761479388 JYJGDQNCLHAJRB-GFIWHYBVSA-N 431.225 5.081 30 20 IKED CCOC(=O)c1oc2ccccc2c1CNC(=O)Nc1ccccc1SC[C@H](C)C#N 775609355 NMFJDKNIQMGGMS-OAHLLOKOSA-N 437.521 5.183 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2cc3cc(Br)ccc3o2)ccc1OC 776164705 JRZTUCFMMNCCSV-KBXCAEBGSA-N 443.341 5.736 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)cc1 777301406 DFANNDHZIBNHBI-KRWDZBQOSA-N 441.318 5.011 30 20 IKED COc1cc(-c2cc(C(=O)OCCCC(C)(C)C#N)c3ccccc3n2)cc(OC)c1OC 782039265 BDEOYBMFJGLZML-UHFFFAOYSA-N 448.519 5.414 30 20 IKED C[C@H](CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1c[nH]c2ccccc12 786322768 MFJYGGZUZQFQTG-DOMZBBRYSA-N 427.451 6.166 30 20 IKED CC(=O)N(c1nc(C=NN[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cs1)c1ccc(F)cc1F 794541791 SZLRWSPOKHKRDM-JSVDNDDVSA-N 432.540 5.244 30 20 IKED C[C@@H](NC(=O)[C@@H](C#N)C(=O)CCc1cnc2ccccc2c1)c1ccc(Cl)cc1Cl 796891921 IJDFYKHQYDLXBV-KUHUBIRLSA-N 440.330 5.060 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ncccc1Oc1ccccc1 799621600 NHWVAJTYIFVIJH-UHFFFAOYSA-N 429.263 5.202 30 20 IKED Cc1cc(C(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)c(C)n1-c1ccc(C#N)cc1 801569208 IPYNNMVTMXDEHW-UHFFFAOYSA-N 440.425 5.109 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)cc1 806200230 ARWJFBQMDUXGRU-JIMJEQGWSA-N 441.531 5.668 30 20 IKED CN(CCC#N)c1ccc(CN[C@@H]2CCCc3c2[nH]c2ccc(Br)cc32)cc1 808446513 KREQZCSHEGVVCA-JOCHJYFZSA-N 437.385 5.447 30 20 IKED Cc1cccc2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)sc12 808979616 KNOROXBJFLDCFU-LJQANCHMSA-N 426.497 5.963 30 20 IKED CC[C@@H]1[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)CCN1C(=O)OC(C)(C)C 810534142 HXGVYCSWMKEIEP-JENIJYKNSA-N 425.554 5.022 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1 916915308 BPDVUHNLKDGMTC-HXUWFJFHSA-N 429.476 5.148 30 20 IKED CCCOc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1OCCC 916927721 BZMHXHVWXDNRNN-MRXNPFEDSA-N 449.334 5.532 30 20 IKED C[C@H]1CCc2[nH]c3ccc(C(=O)[C@@H](C#N)C(=O)Nc4ccc(Cl)cc4Cl)cc3c2C1 916928711 ROXSDBDXTSLEMT-YVEFUNNKSA-N 440.330 5.561 30 20 IKED Cc1cc(-n2c(C)cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2C)no1 916977638 VIWXJYVOUWYMJG-GOSISDBHSA-N 436.924 5.658 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CCC[C@@H]2Cc2c(F)cccc2Cl)c1=S 917474024 VEUDVTCNKOBHDS-QGZVFWFLSA-N 443.979 5.119 30 20 IKED FC(F)Oc1ccc(-c2nnc(S)n2N=Cc2cccc(OC3CCCC3)c2)cc1 917537286 DVEDDPFONAGITK-UHFFFAOYSA-N 430.480 5.039 30 20 IKED COc1cccc(COc2cccc(Cl)c2C=NNCc2cccc3cccnc23)c1 917548724 QTDYENPCTMYWAJ-UHFFFAOYSA-N 431.923 5.600 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)ccc3F)cc2)CCC1 1785964080 AMUAQVCOBHQAQF-OAHLLOKOSA-N 445.922 5.028 30 20 IKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)c(C)o1 1787345351 VQANXEKNFXQFDK-QGZVFWFLSA-N 441.531 5.585 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cn(C)c4ncccc34)cc2)CCC1 1789396367 CSSKSXGCHFPUMW-UHFFFAOYSA-N 442.563 5.089 30 20 IKED CC(C)c1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=N/N4CCCCC4)CCC3)cc2)cc1 1790314583 SQXHAHOWRFSRLX-TURZUDJPSA-N 446.595 5.029 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)c3ccc(C)cc3)CCC2)cc1 1790569603 GHMZLWBFODVXCC-VQTJNVASSA-N 435.568 5.034 30 20 IKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cccc4c3oc3ccccc34)cc2)CCC1 1791008249 XWSHCUQXNKCPKM-UHFFFAOYSA-N 437.499 5.637 30 20 IKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)sc3Cl)CCC2)cc1 1791576918 FOSFLKQVVAXRRC-JTQLQIEISA-N 429.394 5.121 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2ccccc2C)[C@@H]1c1cccnc1 1810501270 AQFULRQCDWWFRM-AOYPEHQESA-N 447.623 5.021 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)cc(Cl)c2)[nH]n1 1814829338 FFVQBEFETVCPHE-FQEVSTJZSA-N 444.938 5.277 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3cccnc23)n[nH]1 1818479852 JEGBYMZGIBPEEF-JOCHJYFZSA-N 443.551 5.032 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ncccc23)[nH]n1 1819305242 FRJRDCUNJNXUPV-JPYJTQIMSA-N 443.551 5.032 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H]3CC[C@H](C)CC3)n[nH]2)c1 1822945895 VTRXPOKTABFBJO-KGYLXKDPSA-N 447.583 5.169 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3[nH]ccc3s2)CC1 1828331870 KFSHJPAGQJXVBE-NRFANRHFSA-N 439.625 5.231 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](c1ccc(Cl)cc1)C(C)C 1847628543 IBBOHVXTIKJZRM-FKBYEOEOSA-N 431.020 5.274 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)c(Cl)c1)[n+]1cccc(O)c1 10174277 RHHLJDLFKGIMLB-UHFFFAOYSA-O 446.379 5.600 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1-c1ccccc1OC 17709119 BPWWMPAVWXQIQZ-MRXNPFEDSA-N 433.537 5.351 30 20 IKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(C)c2)c1 20887966 RPEHOVURIQQEBZ-UHFFFAOYSA-O 444.407 6.257 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1 25119390 DERUWRDBNONMHM-AREMUKBSSA-N 425.557 5.327 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)C2CCCCC2)c1 32942813 HOFYUIIJOUHUIG-UHFFFAOYSA-N 428.454 5.006 30 20 IKED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CSCc1c(Cl)cccc1Cl 60825058 PBHQGUNGKLSZGF-UHFFFAOYSA-N 440.396 5.192 30 20 IKED Cc1ccc(-c2csc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)n2)c(C)c1 110892686 SQQMEOUIBIYPMV-UHFFFAOYSA-N 432.549 5.093 30 20 IKED CCOC(=O)c1ccc(C#N)c(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1 115498017 JSQNAHSRKZBAPK-QHCPKHFHSA-N 441.512 5.328 30 20 IKED C=CCn1c(SCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)nnc1-c1ccncc1 255930176 ZAQNIGODWFSNPH-UHFFFAOYSA-N 447.539 5.048 30 20 IKED N#Cc1ccc(SCC(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)cc1 303337934 CRPPBTYONQXKGS-DEOSSOPVSA-N 441.556 5.266 30 20 IKED N#CCCn1ncc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1-c1ccccc1 429115282 OICUFKOQOWNPOL-INIZCTEOSA-N 431.908 5.217 30 20 IKED COCc1nc2cc(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)ccc2o1 431214065 QWZCXMXRUGYVSI-UHFFFAOYSA-N 444.447 5.291 30 20 IKED C[C@]1(c2ccc(F)cc2)CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 431941491 LUWYKGIRLVUYOV-SANMLTNESA-N 442.494 5.145 30 20 IKED Cc1ccc(NC(=O)Cc2nc(CN(Cc3ccc(C#N)cc3)CC(C)C)cs2)cc1 434928897 YXAMMTQWZUJSJY-UHFFFAOYSA-N 432.593 5.163 30 20 IKED N#CCCn1cc(CN2CCC[C@@H]2c2ccc(Br)s2)c(-c2ccncc2)n1 434982845 NTTBZGPJEJRVML-QGZVFWFLSA-N 442.386 5.020 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccccc1CN(C)C(=O)c1cccs1)c1ccccc1 435599323 STTYOHXKULEITF-NRFANRHFSA-N 433.577 5.849 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3ccc(OC4CCCC4)cc3)c2)cc1 437554980 HVEUKORRJFZRFH-UHFFFAOYSA-N 441.487 5.249 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CC[C@@H](CSc4ccccc4)C3)c2)cc1 438041054 LXKUFNFMSCXSNB-HXUWFJFHSA-N 429.545 5.997 30 20 IKED CCCc1c(NC(=O)c2cn(-c3ccc(Cl)cc3)nc2C)cnn1-c1cccc(C#N)c1 440101037 LWCHJMFMPGJNSJ-UHFFFAOYSA-N 444.926 5.096 30 20 IKED COc1ccc([C@H](NCc2ccc(C#N)c(OC)c2)c2ccccc2)cc1Br 440812209 JAGVBJFMFPDBOR-HSZRJFAPSA-N 437.337 5.217 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cn4cc(Cl)cc(Cl)c4n3)n2)cc1 442508874 MVRVLAKTGROZRO-CQSZACIVSA-N 438.299 5.126 30 20 IKED CC1(C)CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC2(CCCC2)O1 443573196 VJZDUWBWCHLJHG-UHFFFAOYSA-N 433.552 5.287 30 20 IKED Cc1ccc(C)c(-c2csc(NC(=O)Cc3noc(/C=C\c4ccc(C#N)cc4)n3)n2)c1 445416659 GWIYTVMATTZWPG-KTKRTIGZSA-N 441.516 5.033 30 20 IKED CCS(=O)(=O)c1ccc(-c2noc(-c3ccc(Oc4cccc(F)c4C#N)cc3)n2)cc1 445605805 WHZLGCHYHZCINY-UHFFFAOYSA-N 449.463 5.000 30 20 IKED Cc1cc(C[C@@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)n(-c2ccccc2)n1 448373515 QQZNPUMNWNCWSK-QZTJIDSGSA-N 433.581 5.185 30 20 IKED C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCc2cc(Cl)c(Cl)cc2[C@@H]1C 460789692 ZAFYSNKUVZIXLA-HNNXBMFYSA-N 428.367 5.271 30 20 IKED C[C@H](C(=O)N1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1)c1cccc(C#N)c1 462080910 YHNKNMUPKBNRID-KRWDZBQOSA-N 442.494 5.030 30 20 IKED C[C@@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)Oc1cccc(F)c1 466162054 ZBUXLMGCNLPQPP-SFHVURJKSA-N 433.483 5.060 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2cccc(C(F)(F)F)c2)cc1 469473339 YAGQORJYGZIESS-FQEVSTJZSA-N 431.458 5.380 30 20 IKED Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(C(F)(F)F)o1 471777532 BALAGYSJRZEIJP-UHFFFAOYSA-N 434.801 5.963 30 20 IKED Cc1noc(-c2ccccc2)c1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 472011350 ZPLZXPINOAABPH-UHFFFAOYSA-N 429.863 6.220 30 20 IKED C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 472194784 VHPWPHDJDUPYCJ-OASPWFOLSA-N 436.318 5.681 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 475556037 ZWZMJISALKFHET-HSZRJFAPSA-N 442.003 5.387 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1csc([C@@H](C)OC)n1 476511046 KICYZUSHCMVKSH-CYBMUJFWSA-N 436.990 5.153 30 20 IKED Cc1ccc(-c2cccnc2)cc1NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 484952998 CFKGXMRPXBTBFX-KRWDZBQOSA-N 430.533 5.029 30 20 IKED C=C[C@H]1CCCCN1C(=O)Nc1ccc(F)cc1-c1nc(CCOc2ccccc2)no1 488917184 VKFOUNSQXGNYKE-SFHVURJKSA-N 436.487 5.070 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1nc(-c2ccc(Cl)cc2)cs1 490717331 FBWUQJIYHQIMKU-HNNXBMFYSA-N 449.879 5.047 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1-c1cccc(C)c1 501245749 YNLGJGIUNOJQIL-OAHLLOKOSA-N 437.956 5.996 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)nnc1-c1ccc(OC)cc1 501605755 MJBSGQNBYFZYNY-ZDUSSCGKSA-N 446.935 5.052 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCCC[C@H]3Cc3ccccc3)c2)c1 503282699 KLHZMGZJZVBIKN-VWLOTQADSA-N 438.531 5.440 30 20 IKED Cc1c(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)sc2nc(C(F)(F)F)ccc12 503896317 ZFWASTWWGVYYDU-UHFFFAOYSA-N 427.451 5.425 30 20 IKED CCOc1cc(CNCc2ccc(F)cc2C(F)(F)F)ccc1OCC(F)(F)F 509615734 FUSZKKPGLGSEMV-UHFFFAOYSA-N 425.344 5.474 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 511731546 ZPCUUTRNAMOZHQ-UHFFFAOYSA-N 443.868 5.021 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1ccccc1Br 511910568 MQPHFKKQAMAWTH-UHFFFAOYSA-N 435.321 5.389 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)c1 512306901 VLCCJOXGMSICKM-HSZRJFAPSA-N 432.545 5.020 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C 512517638 YZEFKDWTVWADSE-KRWDZBQOSA-N 436.556 5.812 30 20 IKED COc1cc(F)c([C@@H](C)NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC 512535293 ZHVMWRVINRWGCL-OAHLLOKOSA-N 435.455 5.390 30 20 IKED Cc1nc(C)c(-c2csc(NC(=O)c3cccc(COc4ccccc4C#N)c3)n2)s1 513515336 UNAGNUIPTRLRBM-UHFFFAOYSA-N 446.557 5.586 30 20 IKED Cc1c(C(=O)Nc2ccc3c(c2)N(CC(F)F)C(=O)CS3)sc2ccc(C#N)cc12 513707365 BTUHORULCKCSPI-UHFFFAOYSA-N 443.500 5.038 30 20 IKED Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 515449343 PJXCQZGILNDYRB-INIZCTEOSA-N 433.895 5.178 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 517471978 OYXAJCORTZJEFD-HNNXBMFYSA-N 433.499 6.154 30 20 IKED Cc1cc(Br)ccc1NC(=O)CNc1cccc(Oc2ccc(C#N)cc2)c1 517934154 MVEZZSNZMHELNQ-UHFFFAOYSA-N 436.309 5.472 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1CN1CCC[C@@H](C)C1 518169682 SJPPYZXGNWRVPQ-WOJBJXKFSA-N 436.625 5.492 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2nc3cc(Cl)ccc3s2)cc1 518841971 UDLQXIZAPRXQAB-UHFFFAOYSA-N 449.988 6.044 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)COc3ccccc3OCC(F)(F)F)c2)cc1 520532124 DWQGODJTUWUALV-UHFFFAOYSA-N 442.393 5.309 30 20 IKED COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 520562948 YVMILMAUIGOOGN-UHFFFAOYSA-N 444.487 5.359 30 20 IKED C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 521786166 UHFFFQYPNREIND-IBGZPJMESA-N 438.531 5.643 30 20 IKED COc1cc(CSc2n[nH]c(-c3ccccc3F)n2)ccc1OCc1cccc(C#N)c1 523880475 FZLMPOJPGYOLIB-UHFFFAOYSA-N 446.507 5.362 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 524440990 MCUKBGMNZNPUEF-SANMLTNESA-N 441.531 5.823 30 20 IKED CCN(C(=O)[C@@H](CCOC)Cc1cccc(Br)c1)[C@@H](C)c1ccc(C#N)cc1 525474845 AESGKYQSXLIKHP-UWJYYQICSA-N 443.385 5.126 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Br)cc2C)cc1C 532055168 KOKJJHVDHPEPAY-UHFFFAOYSA-N 437.341 5.404 30 20 IKED C=CCC[C@@H](NC(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2)c1ccc(C(F)(F)F)cc1 533088177 NQSKWIQRGDBAGQ-IFXJQAMLSA-N 431.458 5.268 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCn2c(=O)oc3ccccc32)cc1Cl 534521197 XCYDUWABNZQOQC-FQEVSTJZSA-N 445.906 5.322 30 20 IKED N#C[C@H](NC(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1ccc(OC(F)(F)F)cc1 535069359 ZFMGHPGGGARQGQ-FQEVSTJZSA-N 445.441 5.099 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1ccc(F)cc1)C1CCCC1 537108288 MCFNBNXGBASSTJ-XDHUDOTRSA-N 425.573 5.680 30 20 IKED C=CCC[C@@H](N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C(F)(F)F)cc1 537947160 KUVYLQYWVUBTFH-IIBYNOLFSA-N 440.531 5.314 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c1 538980876 RJXIGDCSRKCZOZ-OAQYLSRUSA-N 425.513 5.761 30 20 IKED Cc1cc(N2CCSCC2)ccc1NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 539126526 CHTGOIGPEKVZJP-UHFFFAOYSA-N 442.588 5.409 30 20 IKED N#CC1(CCCNc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)CCOCC1 539710508 XEIGRDHZQBRVDB-UHFFFAOYSA-N 427.957 6.254 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(-c2ccc[nH]2)cc1)c1ccc(-c2cccc(C#N)c2)cc1 544157127 YOGIYRFXHNEEPO-GOSISDBHSA-N 434.499 5.036 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 553117540 HOCLJQUPJDFSPH-UHFFFAOYSA-N 434.515 5.074 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 554446040 DATJBATVCPQMIH-SUMWQHHRSA-N 438.380 5.490 30 20 IKED CCN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)Cc1ccccc1Br 557553861 KMITYWJIAQQCAO-INIZCTEOSA-N 446.414 5.304 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)cc2)ccn1 558559951 NEDYPXVCELWNIR-UHFFFAOYSA-N 440.484 5.312 30 20 IKED CC(C)(C#N)c1ccc(-c2nc(CC(=O)Nc3ccccc3Oc3ccccc3)no2)cc1 569888822 WPIZQISHHBQYOA-UHFFFAOYSA-N 438.487 5.511 30 20 IKED Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 577236404 VLZDGQHVSMZLKS-INIZCTEOSA-N 431.458 5.070 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3cccc(C(=O)Nc4ccccc4)c3)cc2)ccn1 579172640 RECUIMGIUAFHSH-UHFFFAOYSA-N 434.455 5.250 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC1(c2cccc(C#N)c2)CC1 582375408 NWGDNKJLCULODS-OAHLLOKOSA-N 438.394 6.093 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(Cl)cc(F)c1Br 585699136 HTAPAFRNGVRMPI-SNVBAGLBSA-N 427.726 5.888 30 20 IKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1cc(F)c(F)c(F)c1 590660911 FTBCHKLREBOAOM-UHFFFAOYSA-N 447.253 5.238 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1nc2cc(F)ccc2s1 592973498 FZPINQFBRDCJAL-MRXNPFEDSA-N 428.448 5.371 30 20 IKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 601187263 JIXCVEDLPFAXFD-ZEQKJWHPSA-N 425.532 5.113 30 20 IKED Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c12 603623948 QFQRIPFGFBNJHR-UHFFFAOYSA-N 447.454 5.510 30 20 IKED CC[C@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cn2ccccc2c1C#N 603661695 PKKOWELLIRTHCR-INIZCTEOSA-N 428.458 5.069 30 20 IKED CCOc1ccccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 603756845 CTAVOLVQEGZYDI-UHFFFAOYSA-N 431.439 5.275 30 20 IKED N#C[C@@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1ccc(OCc2ccccc2)cc1 609028673 MWDSMKKDEJJKEN-XMMPIXPASA-N 439.540 5.313 30 20 IKED Cn1cccc1[C@H]1CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609081022 YPTYKEKIJUUDSO-JOCHJYFZSA-N 434.927 5.498 30 20 IKED Cc1c(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)sc2nc(C(F)(F)F)ccc12 609185246 UAUKQTMRSJQOGC-UHFFFAOYSA-N 445.466 5.179 30 20 IKED Cc1cc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)ccc1Oc1cccnc1 609206821 GTDRYHZBDBDKTH-UHFFFAOYSA-N 428.492 5.129 30 20 IKED COc1ccc(S[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 609378154 SLQRHHXFZCWTIY-CYBMUJFWSA-N 440.512 5.839 30 20 IKED C[C@@H]1CCC[C@@H](OCC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)C1 609576131 SLWQEDXUEIWWIC-CZUORRHYSA-N 437.487 5.158 30 20 IKED CCN(Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)S(=O)(=O)CCCCC#N 609675442 SXOIPMMWRULMAL-UHFFFAOYSA-N 428.598 5.036 30 20 IKED CC(=O)Nc1cccc([C@@H](C)NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 609722999 IDRHIPPETPATCU-OAHLLOKOSA-N 433.895 5.453 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 609723217 VGJRTGUOXOSJDP-UHFFFAOYSA-N 445.906 5.164 30 20 IKED Cc1nc(CCC(=O)N[C@H](C)c2cccc(C#N)c2)oc1-c1ccc(Br)cc1 610362997 ICNPWLJGXMOHJM-CQSZACIVSA-N 438.325 5.094 30 20 IKED CC(C)(C)OCc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cc1 615379259 JJUOKOCVZOBTRV-UHFFFAOYSA-N 443.503 5.243 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c(N4CCCC4=O)c3)n2)cc1 642281279 VXYZIJIUKUNJRF-QGZVFWFLSA-N 435.936 5.389 30 20 IKED C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 669815498 ZMHHOOOIXVMPCL-SFHVURJKSA-N 438.535 5.061 30 20 IKED CCc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(C)c2)cc1 726570957 AVLYPKLGVPZCBV-UHFFFAOYSA-O 434.972 5.693 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)C2CC2)cc1 727594980 GFSGJAJDHJVTEV-UHFFFAOYSA-N 428.561 5.379 30 20 IKED COc1cc(/C=C2/CCc3nc(-c4ccc(F)cc4)sc3C2=O)cc(OC)c1OC 727685251 FZKFSTRTJGPMQM-GDNBJRDFSA-N 425.481 5.188 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)c1 728181351 COJBRCVENFIMPE-KRWDZBQOSA-N 431.586 5.633 30 20 IKED C[C@@H](C#N)Oc1ccc(/C=C/C(=O)c2ccc(Br)cc2Br)cc1 728694818 KPRPUAPNRSAGEV-KFRNIWOLSA-N 435.115 5.399 30 20 IKED CC(=O)Nc1cccc(N=c2scc(-c3ccc4c(c3)COC4)n2CCCCC#N)c1 728775754 BGIFJHVCJQPLKW-UHFFFAOYSA-N 432.549 5.131 30 20 IKED N#Cc1ccc(NC(=S)N(Cc2ccccc2C(F)(F)F)C2CCCC2)cc1Cl 729158039 IGSOTQFWUUXRGZ-UHFFFAOYSA-N 437.918 6.372 30 20 IKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CNCc1ccc(OCC#N)cc1 729685413 SIBKQFBFZMFLDX-UHFFFAOYSA-N 434.849 5.045 30 20 IKED COc1ccc(CCC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1Br 730416422 CVYNKRTZDSCVCM-CYBMUJFWSA-N 433.302 5.016 30 20 IKED COc1ccc(CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)[C@H](C)C2CC2)cc1 731280307 IWWIBKUMRHGVFJ-NFQMXDRXSA-N 439.559 6.183 30 20 IKED COc1cc(COC(=O)c2csc(CC(C)C)n2)ccc1OCc1cccc(C#N)c1 735135546 CVSHLDSTTDEVJN-UHFFFAOYSA-N 436.533 5.158 30 20 IKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C(C)(C)C)cc2)NC1=O 736640422 CWFGRTHBQWCEOF-SFHVURJKSA-N 429.973 5.194 30 20 IKED CC(C)(C)c1ccc(N=C2NC(=O)[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)S2)cc1 736641607 MKJDXXZQTVAHJC-KRWDZBQOSA-N 449.498 5.251 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 742594477 ZEJQUPWYZWOBNE-CVDCTZTESA-N 435.568 5.197 30 20 IKED C=CCn1c(-c2ccccc2F)nn(CN(C)Cc2csc([C@@H](C)OCC)n2)c1=S 743370686 GRROQXGYZBJTDW-OAHLLOKOSA-N 447.605 5.050 30 20 IKED C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccc(Br)s1 744027753 CMGUIGPRFMMDFI-DOMZBBRYSA-N 427.323 5.115 30 20 IKED N#Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c(Cl)c([N+](=O)[O-])c1 746479161 AYTBEIXBMJRCPX-UHFFFAOYSA-N 438.783 5.073 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)cc1Cl 747108593 IHDWQUNOPNILLL-MFKMUULPSA-N 425.699 5.106 30 20 IKED CC(C)Oc1ccccc1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 749047841 IGAFWBNJOUWYLE-QGZVFWFLSA-N 445.371 6.323 30 20 IKED N#C[C@@H](NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1)c1cccc(Br)c1 749614371 BDJUQJCWHUHIRQ-CSHXORCISA-N 426.701 5.045 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc([N+](=O)[O-])ccc1Br 751096364 YWXFMGUKTXYKCD-UHFFFAOYSA-N 428.267 5.210 30 20 IKED N#CCOc1cccc(CC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)c1 760296357 OCSWNNXPEFFUAO-UHFFFAOYSA-N 432.332 5.124 30 20 IKED C[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1ccc(Cl)c2ccccc12 765066362 FOJZIXDRUQGMBL-YWZLYKJASA-N 426.907 5.381 30 20 IKED COC(=O)c1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1 767736855 NVPZWONWBAQHRX-FMIVXFBMSA-N 440.908 5.164 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](O)c1ccc(-c2ccccc2)cc1 767761104 BNMZTISWEMLSQQ-FDDCHVKYSA-N 431.561 5.603 30 20 IKED C#CCOc1ccccc1NC(=O)N1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 772379110 BXLVDEXGQLKPQO-SFHVURJKSA-N 447.560 5.242 30 20 IKED COc1ccc([C@@H](OC(=O)c2cn(CCCC#N)c3ccccc23)[C@H](C)n2cccn2)cc1 774078516 AXVNIUTYBMYKFW-DFBJGRDBSA-N 442.519 5.309 30 20 IKED C[C@H](NC(=O)c1sc(N2CCCC2)nc1Cl)c1ccc(-c2cccc(C#N)c2)cc1 782487956 NQODKYKYEUHHFQ-HNNXBMFYSA-N 436.968 5.426 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Br)c3cc(C)oc23)cc1 785881063 RUBOJRQZITWSIV-QGZVFWFLSA-N 425.282 5.027 30 20 IKED N#C[C@@H](C(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1)c1nccc2ccccc12 792097895 YVESLKYONUNJPS-RPWUZVMVSA-N 435.483 5.079 30 20 IKED C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)[C@H]1OCCc2sccc21 796745610 LWSIMHGGECSABJ-SWWFSWNPSA-N 446.528 5.138 30 20 IKED N#CC[C@H](CC(=O)O[C@H](c1cccc(Br)c1)C(F)(F)F)c1ccccc1 796757376 UJONBTPGDCBRDM-RDTXWAMCSA-N 426.232 5.683 30 20 IKED Cc1ccc([C@](O)(Cc2noc([C@@H](F)c3ccc(C(F)(F)F)cc3)n2)C(F)(F)F)o1 809452145 ZBJMFKBVBVUJEQ-GOEBONIOSA-N 438.299 5.041 30 20 IKED COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 812168500 QNOZCEOVUDZXSJ-HXUWFJFHSA-N 442.350 5.111 30 20 IKED C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 814577187 MEDMUBANBUSYRV-CLOONOSVSA-N 428.511 5.224 30 20 IKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H](C)c1ccccn1 837301700 NSWCNXHQRJAPMA-XMSQKQJNSA-N 444.560 5.112 30 20 IKED C=CCOc1c(Br)cc(CNc2ccc([C@@H](O)C(F)(F)F)cc2)cc1OC 864043562 MDMSLBUBSXIMJF-GOSISDBHSA-N 446.263 5.230 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 915085471 MMNICQZZIDOVNT-GUWJCNJBSA-N 449.554 5.233 30 20 IKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915350160 KETRHXPPRNAYHS-DYESRHJHSA-N 426.545 6.177 30 20 IKED O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccc(N2CCOCC2)cc1 916138606 YNCKHZUZAVXOHX-YIXHJXPBSA-N 446.934 5.325 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(CC(C)C)C2=O)c1 916212333 WWFYPMAKIGRJAT-FQEVSTJZSA-N 427.545 5.059 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 916848241 HLEGGPODLSISKR-KRWDZBQOSA-N 435.314 5.585 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)s2)o1 916930611 DSLJRKVYKUWOSQ-GFCCVEGCSA-N 434.304 5.288 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc4c3cnn4C)cc2)CCC1 1789087924 VGEUISYGYFPFLX-OAQYLSRUSA-N 442.563 5.089 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)c(C)c3)CCC2)cc1 1791588440 PAWIFBRYKPXYCW-UHFFFAOYSA-N 427.342 5.081 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ccccc23)n[nH]1 1818454310 QJHZBUSDQAMKOW-HXUWFJFHSA-N 438.478 5.080 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3ccoc3c2)n[nH]1 1821454627 XZGCGJCAMBIJRA-NRFANRHFSA-N 432.524 5.230 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CC3CCCC3)CC2)c1 1826265791 YDTHHNYOYNQLFF-NLFFAJNJSA-N 435.612 5.127 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccn(C)c23)CC1 1828277860 BJODPUIMLFRESB-ILBGXUMGSA-N 447.623 5.180 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cnc(C)s2)CC1 1832349558 HVZSXFXOOPCVBY-DGSRBQDKSA-N 443.657 5.077 30 20 IKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C)c3ccccc23)CC1 1832830472 SYRULXWIVQXDQP-MHZLTWQESA-N 444.619 5.114 30 20 IKED N#CCCN(C(=O)CN1CCC(c2nc3ccccc3s2)CC1)c1cccc(Cl)c1 10986471 FSCJYYMCEPAKRW-UHFFFAOYSA-N 438.984 5.076 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1-c1cccnc1 18405286 XSMKXLMVYLQDDC-SFHVURJKSA-N 441.560 5.312 30 20 IKED CC(C)c1ccc(C(=O)/C(=C(/S)NCc2ccccc2)[n+]2ccc(C(C)(C)C)cc2)cc1 22730779 PEKUQQBUJNGQJQ-UHFFFAOYSA-O 445.652 6.124 30 20 IKED C=CCn1c(SCc2csc(Nc3ccccc3)n2)nnc1-c1ccccc1OC 25678114 ACBGBIAFZIDFSU-UHFFFAOYSA-N 435.578 5.632 30 20 IKED CC(C)(C#N)c1ccc(N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1 28373675 OHMUXHPZXYAMTN-QFIPXVFZSA-N 448.910 5.841 30 20 IKED Cc1cc(I)ccc1NC(=O)c1ccccc1-c1ccccc1C#N 60913162 RVINAWMLCTVPNE-UHFFFAOYSA-N 438.268 5.391 30 20 IKED C[C@H](Sc1cc(C#N)ccn1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 71918347 FCPUTEXOVNXZFQ-LIRRHRJNSA-N 436.924 5.058 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(OCC(F)(F)F)c2)c1 72020984 QYIPATUUMSPVIY-UHFFFAOYSA-N 426.394 5.331 30 20 IKED COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)CSCc2ccc(C#N)cc2)cc1 109199253 LNURGNLCVZGZOS-DEOSSOPVSA-N 434.536 5.039 30 20 IKED C=CCn1c(Sc2ncnc3sc(-c4ccccc4)cc23)nnc1-c1ccncc1 301065593 CLAKNOOHCFMPTN-UHFFFAOYSA-N 428.546 5.349 30 20 IKED CN(Cc1ccc(Br)s1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 303188588 LRZLNZNXFOSEQR-UHFFFAOYSA-N 427.323 5.447 30 20 IKED N#C[C@@H](C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2)c1nc2ccccc2[nH]1 303313302 PMGZETBBWZPUPW-AWEZNQCLSA-N 436.302 5.034 30 20 IKED C=CCCc1ccccc1NC(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1 410352526 IDDRIHUZWSONTE-UHFFFAOYSA-N 430.504 5.084 30 20 IKED N#CCCn1ncc(C(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c1-c1ccccc1 429073385 JJQMEFBCFXLNKP-IBGZPJMESA-N 438.453 5.112 30 20 IKED Cc1c(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)sc2ccc(C#N)cc12 429906778 YFIHUCZGQKKSGF-SFHVURJKSA-N 441.350 5.058 30 20 IKED COc1ccc(-c2ncc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)s2)cc1OC 430610474 KRYWZZFGMLKELF-ZDUSSCGKSA-N 427.551 5.071 30 20 IKED Cc1ccc(C2=NN(C(=O)CN[C@H](CCCC#N)c3ccccc3)[C@H](c3ccco3)C2)cc1 433015140 VSSSDCOLKGHFTP-NOZRDPDXSA-N 440.547 5.291 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](Sc2cccc(Cl)c2)C1 433145799 IWZDSSYILAWOFA-CRAIPNDOSA-N 432.014 6.133 30 20 IKED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc(C)c(Oc2ncccc2Br)c1 436418869 YGFOCIYPEXHJLM-DNVCBOLYSA-N 446.345 5.048 30 20 IKED C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)C1 437932662 MDSOUSRTKKOASV-VYVQKFEUSA-N 444.579 5.108 30 20 IKED CC(C)n1cnnc1-c1ccccc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 439648736 OYZWHSCEIDWXMM-UHFFFAOYSA-N 439.544 5.801 30 20 IKED CCCc1c(NC(=O)C[C@H](C)C(=O)c2ccc(Cl)cc2)cnn1-c1cccc(C#N)c1 440099849 QNMATHAUCWWKRW-INIZCTEOSA-N 434.927 5.197 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N[C@H](C)c2nc3ccccc3n2C(F)F)c1 444660504 RZAOBNNAWYNDPN-QZTJIDSGSA-N 439.510 5.034 30 20 IKED CCOc1cc(C#N)cc(Br)c1OCc1nc(C(C)(C)c2ccccc2)no1 445471956 IWWCTYHYVFXOFM-UHFFFAOYSA-N 442.313 5.007 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 460926703 LMVMEKXOKLJXOZ-CVCYQNGTSA-N 445.592 5.004 30 20 IKED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@@H]1c1ccc(Br)c(C)c1 460933841 KTXZLORXDOZDCY-CWFSZBLJSA-N 445.405 5.364 30 20 IKED N#C[C@@H](C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1)c1cc(C(F)(F)F)ccn1 464419707 DYAPYVLFKGQPHU-CYBMUJFWSA-N 439.315 5.080 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)NCc1cc(C#N)ccc1F 465908335 KZTBXDHXNPHAFK-ZDUSSCGKSA-N 428.920 5.343 30 20 IKED Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1 470240961 CCJVXGQDZJEBQG-CLJLJLNGSA-N 426.516 5.096 30 20 IKED C[C@@H](N(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(C)(C)C 470548122 VKMUWJZVZUXVLF-HXUWFJFHSA-N 446.595 5.738 30 20 IKED C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1c(C(=O)OC)sc2ccccc12 473773340 OBFOMFFFBYKDCF-UHFFFAOYSA-N 429.563 5.341 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCOCC(F)(F)C(F)(F)F 480095454 PEDMUTMZXZNORY-UHFFFAOYSA-N 444.375 5.143 30 20 IKED C[C@@H]1CCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)[C@H](c2ccco2)C1 480387562 WHNIFABRFCSNJF-PBHICJAKSA-N 439.566 5.300 30 20 IKED Cc1sc(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)nc1-c1ccc(Cl)cc1 481132212 BUYQOBUODBOJOU-UHFFFAOYSA-N 425.941 5.117 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(-c2nc(C3CC3)no2)cc1C 481461851 BTYTZRGLZIDTMI-UHFFFAOYSA-N 428.945 5.857 30 20 IKED Cc1nc(-c2ccc(S(=O)(=O)Nc3ccccc3S[C@@H](C)CC#N)s2)cs1 481584679 GEZAUVKGCVQURX-LBPRGKRZSA-N 435.621 5.375 30 20 IKED CCCc1c(NC(=O)c2ccc(C(C)(C)C#N)cc2)cnn1-c1cc(F)c(OC)cc1F 482977262 FJQMYZVHHVDGFQ-UHFFFAOYSA-N 438.478 5.165 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1 483342249 PCQJXMIJCCSAJX-QINHECLXSA-N 447.526 6.572 30 20 IKED CCc1ccc([C@@H](NCc2ccccc2C(C)(C)C#N)c2cccc(S(C)(=O)=O)c2)cc1 486547277 HGRDGBJOGRSKLX-AREMUKBSSA-N 446.616 5.333 30 20 IKED C=CCN(C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)c1nc(C(=O)OCC)cs1 487090984 QSAZXWFHCLZFQC-UHFFFAOYSA-N 444.459 5.223 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3Cc4ccccc4S3)s2)c(C(F)(F)F)c1 487294192 SMDXOBCGLAGDKG-SFHVURJKSA-N 445.491 5.280 30 20 IKED N#Cc1ccc(NC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1Br 487842197 SMIHUEVBCVKCQL-UHFFFAOYSA-N 429.705 5.046 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3CCCC[C@@H]3C(F)(F)F)s2)cc1 491502280 LILXGMPOBHKEII-KBPBESRZSA-N 426.489 5.009 30 20 IKED C[C@H](c1ccc(OC(F)(F)F)cc1)[S@@](=O)Cc1cc(C#N)ccc1Br 491611890 DXVOCFPJQNHDKB-NDHGSNPTSA-N 432.261 5.229 30 20 IKED N#CCCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 497890670 UBXCCYFFTITMMD-UHFFFAOYSA-N 444.331 5.056 30 20 IKED CCN(C(=O)c1sc(COc2ccc(Cl)cc2)nc1C)[C@@H](C)c1ccc(C#N)cc1 509560039 NDZICQCPXZDLDW-INIZCTEOSA-N 439.968 5.779 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)COc1ccc2ccccc2c1Br 509581430 AALLVZSRYBDAMR-UHFFFAOYSA-N 439.309 5.279 30 20 IKED CCOc1cccc2cc([C@H](C)NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)oc12 510871639 HGHWYAIXCIXTHQ-KRWDZBQOSA-N 433.508 5.017 30 20 IKED C[C@H](NCc1ncc(I)s1)c1ccc(-c2cccc(C#N)c2)cc1 511944537 SHTIXBALMUSTPW-ZDUSSCGKSA-N 445.329 5.137 30 20 IKED CCc1cc(=O)c2cc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)ccc2[nH]1 512558100 BQFNPSNIWAGFMO-UHFFFAOYSA-N 443.890 5.660 30 20 IKED CCNC(=O)c1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 515800281 SMZHPPBGUKDQJS-UHFFFAOYSA-N 448.910 5.075 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1ncc(-c2cccs2)o1 518281760 WNTMHVHMTPRADC-UHFFFAOYSA-N 428.514 5.191 30 20 IKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 518516652 QUIUTXUGJLZIAT-MRXNPFEDSA-N 448.573 5.526 30 20 IKED C=CCN(C(=O)[C@H](C)Cc1cccc(F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 520547331 ZUQHYYUHGWNTRV-OAHLLOKOSA-N 425.485 5.255 30 20 IKED N#CCCSc1ccccc1NS(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 521711791 BVUSLMIRYMWNOI-UHFFFAOYSA-N 435.983 5.270 30 20 IKED N#CCCN(C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccc(F)cc1 522022831 ARZKFPVXJRBXDX-HSZRJFAPSA-N 449.913 5.287 30 20 IKED COCCSc1ccc([C@H](C)NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1 522302570 HBICHEFEMJEFFY-IBGZPJMESA-N 446.572 5.367 30 20 IKED Cc1nc(-c2ccccc2)c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)s1 523350864 NETAETTVKVZRDE-UHFFFAOYSA-N 425.513 5.822 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3csc(-c4cccc(C(F)(F)F)c4)n3)[nH]c12 524034951 HXJABCYIVSKICL-CQSZACIVSA-N 426.423 5.504 30 20 IKED Cc1ccc(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1OC(F)F 524482269 KDLXCNMNABMQKV-UHFFFAOYSA-N 436.418 5.364 30 20 IKED N#Cc1ccccc1COc1cccc(CNCCc2nc(-c3ccc(Cl)cc3)no2)c1 524687958 PUFXYVKTEFJEMO-UHFFFAOYSA-N 444.922 5.173 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(Br)c1 533645023 OFWLUCBDCSPWCD-UHFFFAOYSA-N 435.321 5.655 30 20 IKED C=C[C@@H](CC(=O)N1C[C@@H]2CCCN(C(=O)C[C@H](C=C)c3ccccc3)[C@@H]2C1)c1ccccc1 533939657 RHAXUXIEXKRHQI-PHIRODEFSA-N 442.603 5.156 30 20 IKED Cc1nc(C(C)C)sc1[C@@H](C)N(C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N 535967896 AXBHJWCROHXTIC-DOTOQJQBSA-N 430.643 5.601 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(Oc4ccc(Br)cc4)nc3)[nH]c12 536720350 CLZBNZNNNULWLE-QGZVFWFLSA-N 447.292 5.311 30 20 IKED Cc1cc(C)cc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 536927291 ZZXQVMRNVCZHBH-UGKGYDQZSA-N 435.593 5.189 30 20 IKED COc1ccc(OCc2ccccn2)c(CNCc2ccc(-c3ccccc3C#N)cc2)c1 539104472 HHGQAYIPPZXYKW-UHFFFAOYSA-N 435.527 5.498 30 20 IKED Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 539153061 JMRYYWQFJIUVHR-UHFFFAOYSA-N 440.547 5.840 30 20 IKED N#Cc1c(NC(=O)c2c(Br)cccc2Br)sc2c1CCCC2 539503081 NXUPWSASWUNIDH-UHFFFAOYSA-N 440.160 5.276 30 20 IKED N#CCc1ccc(NC(=O)NCCOc2c(Cl)cc(Br)cc2Cl)cc1 540643724 WZXCMTVOCBLHBB-UHFFFAOYSA-N 443.128 5.022 30 20 IKED COC(=O)[C@H](N[C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1)c1cccc(C#N)c1 543505497 SLEWMUJQMUJDMU-ZUOKHONESA-N 425.941 5.209 30 20 IKED COc1cccc([C@H]2C[C@@H](C)CN2C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1 544259745 PJQSRZGEJCVZAB-QVKFZJNVSA-N 435.915 5.021 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@H]3CCO[C@@H](c4ccc(F)cc4)C3)cc2)cc1 544456402 JNKCTDUUOIWZRT-WIOPSUGQSA-N 430.479 5.334 30 20 IKED CCCCOc1ccc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1OCCCC 554542303 ZOOFFEWBGLFOAQ-UHFFFAOYSA-N 435.568 5.137 30 20 IKED CCOC(=O)C(C)(C)C1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1 561068745 HNVUATQJOYQLTC-UHFFFAOYSA-N 436.577 5.151 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)[C@H]3C[C@H]3c3ccccc3OC(F)(F)F)cc2)ccn1 568456064 OAHTXZBTDPZDAY-PMACEKPBSA-N 439.393 5.386 30 20 IKED N#CCC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2cccs2)CC1 573224105 RXQTZJVBBBHPOZ-UHFFFAOYSA-N 432.380 5.492 30 20 IKED CCO[C@@H](c1noc(-c2ccc(C(C)(C)C#N)cc2)n1)c1ccc(F)cc1C(F)(F)F 577100730 COYVKLQUIPXLAY-GOSISDBHSA-N 433.405 5.822 30 20 IKED O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1cncc(C(F)(F)F)c1 581155266 UZQBHGFWECPPFQ-UHFFFAOYSA-N 445.294 5.698 30 20 IKED N#CCCN(C(=O)c1nc2ccccc2cc1Br)C12CC3CC(CC(C3)C1)C2 581333851 ZCTONRURRCYUDV-UHFFFAOYSA-N 438.369 5.322 30 20 IKED COc1cc(OC)c2ncc(C#N)c(Sc3nnc(-c4cc5ccccc5o4)o3)c2c1 583280272 OGKSGJBLMFFPFO-UHFFFAOYSA-N 430.445 5.071 30 20 IKED N#Cc1csc(CNc2ncc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)s2)n1 589595522 QBHPXMQXUQCLCM-UHFFFAOYSA-N 448.417 5.712 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1 592975835 UVXPZQYCTMYXFS-QGZVFWFLSA-N 425.341 5.394 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1csc(-c2cccs2)n1 603532816 WEVWUBPIOATWRM-UHFFFAOYSA-N 447.560 5.967 30 20 IKED COCCN(Cc1cccnc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609047006 OPUOUZAJMJOCKF-QFIPXVFZSA-N 434.927 5.071 30 20 IKED Cc1sc(NC(=O)c2cc3ccccc3n2CC#N)nc1-c1ccc(OC(F)F)cc1 609165360 GVJFATCEZJWDNG-UHFFFAOYSA-N 438.459 5.451 30 20 IKED N#CC1CCN(C(=O)NC[C@H](c2ccc(Cl)cc2Cl)c2c[nH]c3ccccc23)CC1 609212740 SWOLAKHESJYAHH-LJQANCHMSA-N 441.362 5.552 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3nc(-c4ccccc4)oc3-c3ccccc3)CC2)c1 609426639 XGCIPJNBLSAQQC-UHFFFAOYSA-N 449.510 5.564 30 20 IKED Cc1ccc(C)c(Oc2ccc(CNC(=O)Nc3ccccc3S[C@@H](C)CC#N)cn2)c1 609434805 RMCQISVOMXJIBW-IBGZPJMESA-N 446.576 6.207 30 20 IKED CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 609496414 UGTALKGWPPUFBH-UHFFFAOYSA-N 441.409 5.805 30 20 IKED COc1ccc(OC)c([C@@H](C)NCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)c1 609739485 QTGKEYYGCKJXQF-GOSISDBHSA-N 432.520 5.014 30 20 IKED CC[C@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609943092 GZEPNLSVJXQNFZ-XMMPIXPASA-N 427.504 5.289 30 20 IKED Cc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1OCC1CCOCC1 610155676 WTLXUIMQWREQIX-UHFFFAOYSA-N 446.503 5.096 30 20 IKED C[C@H](N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cccc(C#N)c1 610346592 YBOBNNTVPJLZPI-OYHNWAKOSA-N 434.883 5.150 30 20 IKED N#CCc1ccc(CN2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)cc1 612075451 RQULKROAVMKQRU-AREMUKBSSA-N 430.596 5.441 30 20 IKED O=C(N[C@@H](c1ccccc1)C(F)(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612804630 ASWAYZDRCQXXTA-LOWDOPEQSA-N 436.318 5.499 30 20 IKED N#Cc1ccc(N2CCC[C@@H]2c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)cc1 614969480 FJGHOURLCDUMGO-RUZDIDTESA-N 446.514 5.348 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3Cc4ccc(F)cc43)s2)c(C(F)(F)F)c1 619429849 FCNSXSTYZCSWAU-KRWDZBQOSA-N 431.414 5.042 30 20 IKED Cc1cc(-c2cc(C(=O)NCC#Cc3ccccc3)c3cnn(C(C)C)c3n2)c(C)s1 643646941 UEFWVYOLWGZVBI-UHFFFAOYSA-N 428.561 5.139 30 20 IKED Cc1cc(F)cc(NC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)c1 676333215 JPXVSNUQQBVKIO-UHFFFAOYSA-N 431.311 5.610 30 20 IKED O=C(c1ccc(Cl)c(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 676575393 QDNQZVKPVJVLBL-DTORHVGOSA-N 427.694 5.562 30 20 IKED Cc1cccc(-n2c(C)cc(C(=O)Cn3cc(C#N)c(=O)c4cc(Cl)ccc43)c2C)c1 728704431 HDBPVVQRGSIULB-UHFFFAOYSA-N 429.907 5.125 30 20 IKED N#C[C@H](C(=O)CSCc1ccc(Br)cc1)c1nc2cc(F)ccc2s1 730422190 QKILLZVTPRSKIJ-CQSZACIVSA-N 435.343 5.308 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=S)NCCSc1ccccc1 730955247 VYGGDKFEQOMQCI-UHFFFAOYSA-N 441.569 5.790 30 20 IKED CCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1-c1ccccc1 731312362 KRNOFHDDNATOCW-QFIPXVFZSA-N 445.544 5.039 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 733623228 IEBDSYVLZOZWCX-NRFANRHFSA-N 448.910 6.208 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c1 733805718 DMADRWAVKPCZAD-DYESRHJHSA-N 432.351 5.721 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)c1 733843549 KLCXOHZJTYACJE-NRFANRHFSA-N 448.567 5.094 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Nc3nnc(Cc4ccccc4)s3)c2)s1 740430548 PEHBTDLKXDQKAD-UHFFFAOYSA-N 431.546 5.051 30 20 IKED N#Cc1cccc(COc2ccc(NC(=S)N[C@H]3CCOc4ccccc43)cc2F)c1 741480446 AQRVYXXNSQMDDO-NRFANRHFSA-N 433.508 5.087 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 743447981 YTVYPGPKOGZUNL-GWCFXTLKSA-N 440.352 5.206 30 20 IKED COc1cccc([C@@H](NCc2ccc(N(C)CCC#N)cc2)c2cc(F)ccc2OC)c1 747100083 QNQZHPLSDUEQPQ-AREMUKBSSA-N 433.527 5.072 30 20 IKED C=CCn1c(Cc2ccccc2)nn(CN(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1=S 747802254 CCGVGDMGBOEWBA-ILBGXUMGSA-N 448.636 5.248 30 20 IKED CC[C@@H](C)n1c(SCC(=O)N(CCC#N)c2ccc(C)c(C)c2)nnc1-c1ccccc1 749752026 OONAJCONESPZFN-HXUWFJFHSA-N 447.608 5.572 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNCc2cnc(-c3ccc(Br)cc3)s2)c1 752079188 DUJRCZAHGPQKKY-SFHVURJKSA-N 442.382 5.543 30 20 IKED N#CCOc1cccc(NC(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)c1 761622426 HIAPLDBFLJZATP-UHFFFAOYSA-N 434.323 5.109 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2ccc(F)cc2OCC#N)c2ccccc2Cl)cc1 761669625 GTEDRSKIEGDQES-JOCHJYFZSA-N 439.874 5.301 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 761703873 YZAAOLHWEJTTNH-CYFREDJKSA-N 426.516 5.018 30 20 IKED N#CC1(OC(=O)c2nn(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3c2CCC3)CCC1 762096198 ZUOULXJJRQEEHT-UHFFFAOYSA-N 443.347 5.002 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)c1cc(F)c([N+](=O)[O-])cc1F 763486012 QNSWQCKMUTWVQV-UHFFFAOYSA-N 442.312 5.501 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)O[C@@H](C#N)C(C)(C)C)cs2)cc1 765617324 MPZQGHRIUFEKNJ-KRWDZBQOSA-N 429.542 5.176 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(CCCF)C2=O)c1 767735231 ROMQZEHRVKKWDJ-SGKGABTISA-N 447.601 5.114 30 20 IKED C[C@H](OC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 769544082 OWUSCJOEMDRBAB-AWEZNQCLSA-N 444.318 5.436 30 20 IKED CC(C)c1ccc(N2Cc3ccc(NCc4nnc(-c5cccc(C#N)c5)o4)cc3C2)cc1 771683277 UUKJHEXLHMRFIN-UHFFFAOYSA-N 435.531 5.864 30 20 IKED C[C@@H](NCc1cc(Cl)ccc1OCC#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 775203433 RKMPMURYZUCNOJ-MRXNPFEDSA-N 437.902 5.485 30 20 IKED CCC[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1cccc(C(F)(F)F)c1 775324913 RTWUPLHAHFINBU-RBUKOAKNSA-N 438.453 5.373 30 20 IKED N#CCCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 784128357 XYZLZVKIFIBYHH-JOCHJYFZSA-N 442.544 5.104 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OC(F)(F)Cl)cc3)n2)cc1 786362881 ZTAPKHRJUGYFDY-MRXNPFEDSA-N 429.835 5.340 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NCc2cn(CCC#N)nc2-c2ccncc2)cc1 788520960 MYPIHBXFCKILMP-GOSISDBHSA-N 446.555 5.057 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)NC(C)(C)c2ccc(OC(F)(F)F)cc2)c1 788788305 FPQZWUDMZDUUNX-KRWDZBQOSA-N 435.446 5.001 30 20 IKED C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 790207291 FGOYZNXLTMNUOT-GOSISDBHSA-N 440.503 5.092 30 20 IKED CC(C)(C)OC(=O)N1CCc2cccc(CNc3ccc(Oc4ccnc(C#N)c4)cc3)c21 810167121 ZLUCXAXNVHBMMR-UHFFFAOYSA-N 442.519 5.655 30 20 IKED N#CCCn1cc(/C=C\C(=O)c2ccc(-c3c(F)cccc3F)cc2)c(-c2ccncc2)n1 811697860 NQQOKKDABPIPBV-KTKRTIGZSA-N 440.453 5.700 30 20 IKED Cc1cc(C#N)cnc1C(=O)O[C@H](C)c1sc(-c2ccccc2Br)nc1C 815966086 LTJHPRUUDBAZAV-CYBMUJFWSA-N 442.338 5.374 30 20 IKED C=CCNC(=O)c1ccc(NCc2c(F)ccc(C(F)(F)F)c2Br)cc1 864039141 OAEDBEUBHYJFAX-UHFFFAOYSA-N 431.227 5.135 30 20 IKED O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N(O)Cc1cc(Cl)cc(Cl)c1 901380007 KXBWXVDUVBSKAV-UHFFFAOYSA-N 427.234 5.277 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 915085473 MMNICQZZIDOVNT-NDMUKNDCSA-N 449.554 5.233 30 20 IKED N#C[C@H](C(=O)c1cc2ccccc2oc1=O)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915103604 ZEWZNFFASUHWMR-WRSNUQOYSA-N 430.529 5.207 30 20 IKED N#Cc1ccc(-c2ccc(OC(=O)c3nc(NCc4ccco4)ncc3Cl)cc2)cc1 915802558 YPMGWUUTSAGPSY-UHFFFAOYSA-N 430.851 5.093 30 20 IKED Cc1sc2ncn(N=Cc3cc(Br)ccc3F)c(=O)c2c1-c1ccccc1 916284138 NFUPVLARGQBGCD-UHFFFAOYSA-N 442.313 5.217 30 20 IKED FC(F)Oc1ccc2ccccc2c1C=Nn1cnnc1SCc1ccc(Cl)cc1 916546361 NBXKKCBLCLARMO-UHFFFAOYSA-N 444.894 5.861 30 20 IKED Cc1sc2nc(CS[C@@H](C)C(=O)[C@H](C#N)c3ccc4ccccc4n3)nc(O)c2c1C 916848638 FZWGGKCPVSAESQ-GOEBONIOSA-N 448.573 5.060 30 20 IKED N#C[C@H]1C(CN2CCC[C@H]2c2ccc(Cl)c(Cl)c2)=CC(=O)n2c1nc1ccccc12 917153425 YJGVYIWYFPXMOZ-JXFKEZNVSA-N 437.330 5.368 30 20 IKED Cc1oc(-c2cccs2)nc1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 918631715 XMSFNAATCNNXIH-UHFFFAOYSA-N 431.492 5.565 30 20 IKED C[C@@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)Nc1ccc2ccccc2c1 919513287 GMKZLJYZDKZDBL-QGZVFWFLSA-N 440.455 5.067 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 919904932 QIIJWLLTBIHYOF-UHFFFAOYSA-N 444.560 5.225 30 20 IKED N#CCOc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 919980099 NAGCHTUYNXETDU-HXUWFJFHSA-N 429.907 5.286 30 20 IKED COc1ccc(OCc2nc(/C=C\C(=O)c3ccc(OC(F)F)c(OC)c3)cs2)cc1 920064651 HTEQKMRZKJOQCE-WTKPLQERSA-N 447.459 5.237 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 920105334 BSBMQARNLQNWKM-JOCHJYFZSA-N 444.494 5.534 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cccc(-n2nccc2-c2ccccc2)c1 920323877 HXMYRNCDZGXNDX-QHCPKHFHSA-N 444.494 5.534 30 20 IKED COc1ccc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)cc1OCc1ccccc1 920749617 LVGMSMQGQNHCEN-BENRWUELSA-N 429.472 5.127 30 20 IKED CCn1c(O)nc2cc(C(=O)Nc3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)ccc21 1654659060 VUIYNMGNNXUOCL-UHFFFAOYSA-N 449.326 5.304 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccncc3C(F)(F)F)cc2)CCC1 1788786590 QYHSNDVAJUHEKG-OAHLLOKOSA-N 431.458 5.060 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)nc(CC)c3)cc2)CCC1 1788836712 QCLHNSOWNVLGCF-XMMPIXPASA-N 431.580 5.469 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CC[C@H]3CNc4ccccc4C3)CCC2)cc1 1791246765 BTJMHZQMCIVRKU-LEWJYISDSA-N 445.607 5.397 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CCC2)cc1)C(F)(F)F 1791302794 YGSMHNGCORUJBD-UXHICEINSA-N 446.444 5.182 30 20 IKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCC3CCC3)CC2)c(Cl)c1 1824352318 ATRLXUHRWPIHGB-HSZRJFAPSA-N 442.003 5.025 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CSC2CCCC2)CC1 1824478094 DJZOGAWBOBIXEE-QFIPXVFZSA-N 434.690 5.274 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)noc2CCC)CC1 1827844547 IKQXKYXCXZVQMI-NRFANRHFSA-N 443.632 5.161 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(C)C)on2)CC1 1829065838 GEQBQWXGLHUDST-NRFANRHFSA-N 429.605 5.024 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 1829071290 RYMMEYXPVVUDRC-GVAUOCQISA-N 436.640 5.402 30 20 IKED C=CC[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CCC(c2ccc(Cl)cc2)CC1 1847618995 IKVLGJDBGNEKIP-DPILDVQXSA-N 429.004 5.028 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)c(F)c1)=C(/S)Nc1cccc2ccccc12 11126355 KWDPPTCPFONVLK-UHFFFAOYSA-O 447.530 6.019 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccccc3Cc3ccccc3)s2)cc1 14621505 IRWSWPQPQNRSNK-UHFFFAOYSA-N 442.569 5.545 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2)[n+]2ccc3c(c2)CCCC3)cc1 22730511 NBHLAZXJZSSXFS-UHFFFAOYSA-O 449.571 5.442 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)NCCc1ccccc1 22735501 URRLFROIMQQDOH-UHFFFAOYSA-O 431.625 5.233 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1cc(C)[nH]c1C)[n+]1ccc(C(C)(C)C)cc1 23604465 GKGPDLZIZLONGA-UHFFFAOYSA-O 434.629 5.830 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCc1cccc2ccccc12 60654003 BOODSULQDNWDCL-UHFFFAOYSA-N 435.483 5.067 30 20 IKED C=CCOc1ccc(C(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1OC 71898845 JVLHRBQKYCDCOE-GOSISDBHSA-N 430.504 5.003 30 20 IKED COc1ccccc1-c1nnc(S[C@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)o1 96931251 OHTXOTIBCSORPK-XWCAUFEOSA-N 435.549 5.106 30 20 IKED Cc1cc(C)c2ncc(C#N)c(N3CCC(C(=O)N(Cc4ccccc4)C4CC4)CC3)c2c1 301393798 JUJXZPNVLHFLLR-UHFFFAOYSA-N 438.575 5.131 30 20 IKED CN(C(=O)c1cccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1)c1ccccc1 303126060 AHKMNQCFVGLUFL-UHFFFAOYSA-N 447.494 5.879 30 20 IKED N#CCOc1ccc(CC(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)c(F)c2)cc1 303416410 BJYIUEHGKGZSIH-UHFFFAOYSA-N 444.384 5.720 30 20 IKED Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)CCc1ccc(C#N)cc1 303884518 JLWRSORMICLIEP-UHFFFAOYSA-N 440.522 6.175 30 20 IKED N#Cc1cnc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c(Cl)c1 427915501 UAUDDTKACVCIHE-UHFFFAOYSA-N 444.800 5.130 30 20 IKED Cc1nc([C@H]2CCCOC2)sc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 428189326 YAICFGGZXCRKPP-FQEVSTJZSA-N 447.560 5.243 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)NC2(c3noc([C@H]4CCCO4)n3)CCCCCC2)cc1 437405356 PQDLBCSKNLRJQZ-LJQANCHMSA-N 437.544 5.093 30 20 IKED CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)N[C@H](CCC#N)c3ccccc3)cc2)c1 439384366 JAAAFQXIESINQM-HSZRJFAPSA-N 449.532 5.049 30 20 IKED CN(C(=O)N[C@H](CCC#N)c1ccccc1)[C@@H]1CCSc2ccc(Br)cc21 440252722 GUQJYNSOJSSTGA-RTBURBONSA-N 444.398 5.672 30 20 IKED Cc1c(COC(C)(C)C)cccc1NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N 441834850 FUUMPPLZJAILTL-INIZCTEOSA-N 439.581 5.139 30 20 IKED CCOc1c(F)cccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 442675527 ZISSPOQTMHGTGK-AWEZNQCLSA-N 435.307 6.145 30 20 IKED O=C(c1ccccc1F)N(CC(F)(F)F)C1CCN(CCCCC(F)(F)F)CC1 443615689 OJSKBTKMTDPZSB-UHFFFAOYSA-N 428.392 5.027 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N(CCCO)[C@@H]2CCc3ccccc32)cc1 444039961 OLOAYCHZTLTXSA-XMMPIXPASA-N 427.504 5.254 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@@H](C)c2nc3ccccc3n2C(F)F)c1 444660505 RZAOBNNAWYNDPN-ROUUACIJSA-N 439.510 5.034 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2cc(-c3ccccn3)ccc2Cl)c1C#N 445558726 AINRZWOLBLDFHK-UHFFFAOYSA-N 445.935 5.434 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)CCC(=O)c3ccc(F)c(F)c3)c2)cc1 445825977 HFONXJPOHLEZPJ-UHFFFAOYSA-N 434.442 5.211 30 20 IKED N#Cc1ccccc1Oc1ccc(NCc2cccc(C(=O)N3CCCCC3)c2)cc1F 463230291 QZXADSSNTACGSW-UHFFFAOYSA-N 429.495 5.728 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCn3c(cc4ccccc43)C2)cc1 463485189 ROWCKDBKOSDJOJ-UHFFFAOYSA-N 436.515 5.334 30 20 IKED COc1ccc(Cn2nc(C)c(CNCc3ccc(-c4ccccc4C#N)cc3)c2C)cc1 463748196 XEIKPKGPXFEPBG-UHFFFAOYSA-N 436.559 5.385 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2ccc(F)cc2F)n1)c1nc(-c2ccc(Cl)cc2)cs1 464527964 RFZGSZSOSOXEHT-OAHLLOKOSA-N 440.862 5.417 30 20 IKED CC(=O)c1ccc(C#N)cc1N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469561202 YFJLFNGTCYLCTC-IBGZPJMESA-N 442.359 5.376 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 473622876 UVPHASQBVRNDAC-ZUQCGGBESA-N 447.560 5.621 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCCC[C@H]3c3nc4ccccc4o3)s2)cc1 474354013 NIQWOIAWKICGSB-FQEVSTJZSA-N 443.532 5.506 30 20 IKED COC[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 474505322 GVODVQVSEHAWNE-QFIPXVFZSA-N 445.519 5.081 30 20 IKED O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1cccnc1C(F)(F)F 475509192 LCPBBSTWBBORHT-UHFFFAOYSA-N 445.294 5.698 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(O)(Cc3ccc(F)cc3)CC2)cc1 479257541 HUIJFALGDJAWDU-UHFFFAOYSA-N 444.506 5.008 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F 481304650 YJQPAAOGSRJPGM-GOSISDBHSA-N 428.886 5.509 30 20 IKED CC(C)CN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H]1CCCc2cccnc21 481342957 SASFOQMUKVJRAH-KNQAVFIVSA-N 436.625 5.450 30 20 IKED COc1cccc(CO[C@@H](C)C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1 483375582 MPOBBRJRGJGEAM-IBGZPJMESA-N 432.495 5.153 30 20 IKED C=CCn1c(SCc2nc(-c3cc(F)c(F)c(F)c3)no2)nnc1-c1cccc(C)c1 486636138 MHUBXCDFWDQHJR-UHFFFAOYSA-N 443.454 5.199 30 20 IKED N#Cc1ccc(NC(=O)Nc2cccc(COCc3ccco3)c2)cc1Br 487834595 IIJYEYIJYFRMKK-UHFFFAOYSA-N 426.270 5.275 30 20 IKED N#Cc1ccc(-c2nnc(CN[C@@H](CC3CC3)c3cc(F)cc(Br)c3)o2)cc1 495248672 MHLUMOMOUIVFNJ-IBGZPJMESA-N 441.304 5.141 30 20 IKED CC1(C(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 496672904 VXXKFMXGEUAHBX-GOSISDBHSA-N 442.390 5.488 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(-c2ccc(OC)cc2)s1 498591349 KQRURMAITDBMJD-UHFFFAOYSA-N 438.597 5.489 30 20 IKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)Nc1cccc(OCCCC#N)c1 502490572 VWUKYQNKQRWUGA-UHFFFAOYSA-N 433.483 6.040 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCC(c2nc(-c3ccccc3OC)no2)CC1 505017411 VOSNCZNSBWOIFM-UHFFFAOYSA-N 432.524 5.275 30 20 IKED N#CC1(c2ccccc2)CCC(NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)CC1 507653434 LFZBBAHMAIEXRW-UHFFFAOYSA-N 442.525 5.747 30 20 IKED C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 508803360 WQUUXOQTCKBVBY-HXUWFJFHSA-N 444.963 5.127 30 20 IKED C=CCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 508905167 YUJWJPFJIXQZCE-NRFANRHFSA-N 449.917 5.050 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N(Cc3cccc(F)c3)C3CC3)c2)cc1 509912161 OIAXDOZTNYNLJT-UHFFFAOYSA-N 429.495 5.667 30 20 IKED Cc1ccc(-c2csc(NC(=O)[C@@H](c3ccccc3)N3CCC(F)(C#N)CC3)n2)cc1 510969791 RHTWYJVWVSTPEO-OAQYLSRUSA-N 434.540 5.126 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2cccc(Cl)c2)cc1)c1nc(-c2ccncc2)cs1 512981807 UKSDTBUTFVQZKX-HXUWFJFHSA-N 431.904 6.141 30 20 IKED CC(C)(CCC#N)CNC(=O)N(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 513112665 CZFOGLUVAWSIHB-UHFFFAOYSA-N 433.474 5.969 30 20 IKED C=CCc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc(OC)c1OC 513248593 GZDUCFUBVYFWBA-OAHLLOKOSA-N 440.471 5.324 30 20 IKED C=CCc1cc(CNC(=O)N[C@@H](C)c2cc3cccc(OCC)c3o2)cc(OC)c1OC 514012688 FPPARWBBNFPNRX-INIZCTEOSA-N 438.524 5.138 30 20 IKED N#C[C@@H](C(=O)c1ccc(SCc2ccccc2)cc1)c1nc2ccccc2n1C(F)F 515540155 GQOFOIIVWJIRKO-IBGZPJMESA-N 433.483 6.214 30 20 IKED Cc1cc(Br)ccc1SCC(=O)Nc1ccccc1SC[C@@H](C)C#N 517456961 DYWNCWDBACXTJL-ZDUSSCGKSA-N 435.412 5.740 30 20 IKED O=C(Nc1c(F)cccc1F)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 518876405 ZTYUQBGGEWFYNM-UHFFFAOYSA-N 429.263 5.099 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1n[nH]c(CCC2CCCC2)n1 519413282 MQFBZUKNSLWPQO-OAHLLOKOSA-N 429.615 5.053 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 520178875 DQRCOIQCSQFVKK-UHFFFAOYSA-N 432.568 5.311 30 20 IKED COc1cc(C(=O)N(CC#N)c2ccccc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 521110264 WJPZVAWDIDOBLB-UHFFFAOYSA-N 437.839 5.219 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1 521268378 KOCQWJNEUJTTJZ-UHFFFAOYSA-N 429.451 5.449 30 20 IKED Cn1ccnc1[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cccc(F)c1 521811098 SPSSIEKJKYAQGY-HSZRJFAPSA-N 441.466 5.134 30 20 IKED CCN(Cc1cccc(Br)c1)C(=O)c1occc1COc1cccc(C#N)c1 523944307 IGSJXWLNQQLLMN-UHFFFAOYSA-N 439.309 5.155 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@H](OCC(F)(F)F)C2)c1 523948024 HUBCTLBGMNXJTO-INIZCTEOSA-N 438.833 5.187 30 20 IKED Cc1cc(C)cc([C@@H](C)NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 524675632 MCUVVAPDDCUUNG-OAHLLOKOSA-N 449.498 5.144 30 20 IKED COc1cc(CN(C)C(=O)Nc2ccccc2S[C@H](C)CC#N)c(SC)cc1OC 525001501 HSKMNHGEVPCBMH-OAHLLOKOSA-N 445.610 5.484 30 20 IKED C=CCN(Cc1ccc(OC)cc1)Cc1csc(N(C(C)=O)c2ccccc2OC)n1 534490821 QWHPXFMHWNCRFX-UHFFFAOYSA-N 437.565 5.033 30 20 IKED Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)nc12 535635087 BQMNTTAEGXWMPB-MRXNPFEDSA-N 427.851 5.074 30 20 IKED C[C@@H](N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(C#N)c(F)c1 537409674 VQQFZRPLMRIJKG-CMJOXMDJSA-N 442.943 5.194 30 20 IKED CC(C)(C)OC(=O)c1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 539870013 AMEJDFYDWKPLPE-IBGZPJMESA-N 429.501 5.127 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cccc(Br)c2Cl)n1 542013562 HNPZUGAIOKRWTB-UHFFFAOYSA-N 436.096 5.066 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C(=O)c2ccccc2)CC1 549599730 GZIJNQZTVWDFSY-IBGZPJMESA-N 448.542 5.233 30 20 IKED CC(C)c1ccccc1NC(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 553364122 FXDAHGZCCJGGAF-HNNXBMFYSA-N 435.515 6.274 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 555077181 UWBLHWJXMIJMGR-IVZQSRNASA-N 447.526 5.779 30 20 IKED CCO[C@H](c1noc(C2(c3cccc(C#N)c3)CC2)n1)c1ccc(F)cc1C(F)(F)F 558388434 DGLBVVBTKSJCAD-SFHVURJKSA-N 431.389 5.305 30 20 IKED Cc1c(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cccc1-c1ncco1 560988704 AVNWSKGJCIKJCI-UHFFFAOYSA-N 429.863 6.220 30 20 IKED C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)Nc1ccc(F)cc1OCC(F)(F)F 561894714 RSPTXCSBPMBONA-LLVKDONJSA-N 438.343 5.615 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@H](c3ccc(F)cc3)C(F)(F)F)cc2)ccn1 569039602 DHIHVKADAKLBTD-LJQANCHMSA-N 430.361 5.310 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1cn(-c2ccccc2)nc1-c1cccnc1 577681475 UKLJDGLQBFAKQR-UHFFFAOYSA-N 426.568 5.290 30 20 IKED COCC[C@](C)(C#N)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)cc1)CC2 589038879 FYJFRKGUDAIQTR-DHIVUKOYSA-N 445.950 5.424 30 20 IKED CCO[C@@H](c1noc(-c2cc3ccccc3n2CC#N)n1)c1ccc(F)cc1C(F)(F)F 589155242 FOCKZNSSOQIQEH-LJQANCHMSA-N 444.388 5.499 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 603285627 UEJHSTSRQUTRIR-UHFFFAOYSA-N 438.556 5.606 30 20 IKED C=CCN(C(=O)c1ccc(COC(C)C)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603819804 UXJPYKFWRIGTDC-UHFFFAOYSA-N 437.521 5.476 30 20 IKED Cc1cc(OC(F)F)c(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)s1 603827465 RZEYQIKYMUAXFI-BRPSZJMVSA-N 425.341 5.297 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3cc4c(s3)CCCC4)c2)c1 603831593 MQVTYCFAJLOFGT-UHFFFAOYSA-N 430.533 5.073 30 20 IKED Cc1sc(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)c(C#N)c1C 603948037 YAQXBJYTSSTDHM-QPPBQGQZSA-N 443.572 5.355 30 20 IKED C=CCN(C(=O)c1ccc(C(=O)NCC(C)(C)C)cc1)c1nc(-c2ccccc2)cs1 607443539 GAFJDMLXECAXNA-UHFFFAOYSA-N 433.577 5.419 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3cc(C#N)ccc3OC(F)F)cc(-c3ccccc3)nc21 609068464 UCNYTFOEKRAXMW-UHFFFAOYSA-N 447.445 5.405 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 609213167 IPHDSNDGNQSZNM-JOCHJYFZSA-N 448.567 5.820 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nnc1-c1ccccc1 609369808 LPYALIABXWDTNT-QGZVFWFLSA-N 449.605 5.256 30 20 IKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3SCCC#N)c12 609375524 KWMZFNGAUIEQGR-UHFFFAOYSA-N 427.533 5.202 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OC(C)C 609435554 XBLIAKDAQVGOPT-SJORKVTESA-N 427.570 5.759 30 20 IKED N#C[C@@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccc(F)cc1 609601755 FQKVBLGDUDLTHJ-HSZRJFAPSA-N 444.897 5.255 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(NC(=O)CSc2cccs2)cc1 609754407 UNZZPLDWNYJAPJ-UHFFFAOYSA-N 449.601 5.403 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3csc(Cc4ccccc4F)n3)s2)cc1 609783204 KSIUCCMTWUUCGD-UHFFFAOYSA-N 434.521 5.044 30 20 IKED CCOc1ccc(NC(=O)c2ccc(NC(=O)N[C@@H](C)c3cccc(C#N)c3)cc2)cc1 610318451 PLHCHMNYZAMRSE-KRWDZBQOSA-N 428.492 5.092 30 20 IKED CC(C)(C)OC(=O)Cc1cccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1 610321279 OSJXYQDSKZTTNN-UHFFFAOYSA-N 444.491 5.274 30 20 IKED CC(C)S(=O)(=O)Cc1ccc(NCc2cccc(OCc3ccccc3C#N)c2)cc1 610910650 WZVYUJNXVAAIQV-UHFFFAOYSA-N 434.561 5.073 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(c3cccnc3)CC2)cc1 611261132 BTERHPQGXQZHAS-UHFFFAOYSA-N 428.492 5.166 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)Nc1cccc(Sc2ccccc2)c1 615298267 VKUCEEQMDVNAJF-UHFFFAOYSA-N 431.517 5.074 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nnc1-c1cccc(C)c1 617940197 FKLIDXHNUVVIII-ROUUACIJSA-N 446.576 5.544 30 20 IKED CC(C)c1oc([C@H]2CCCN2S(=O)(=O)c2cccc(CC#N)c2)nc1-c1ccccc1 619487141 FGDRURIEDCXCIT-OAQYLSRUSA-N 435.549 5.057 30 20 IKED C[C@]1(C#N)CCCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@H]2CCCO2)C1 619852852 HSFMHOQDRYYFSB-IVZQSRNASA-N 441.988 5.122 30 20 IKED C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2cccs2)CC1 670316705 SBFNPYYHSSZXSA-UHFFFAOYSA-N 433.350 5.113 30 20 IKED Cn1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(-c2ccccc2)n1 678572099 BGELZESLCYWZCK-CQSZACIVSA-N 426.423 5.206 30 20 IKED C[C@@H]1CCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@H](F)C(F)(F)F)(C4)C3)C[C@H]1F 679247744 HENDBOKCLRWQGY-RFFXUDSVSA-N 429.420 5.315 30 20 IKED C=CCC[C@H](NC(=O)N1CC[C@]2(C1)C(=O)Nc1ccccc12)c1ccc(C(F)(F)F)cc1 681657390 DIGSCNGVCDOAIX-WMZHIEFXSA-N 443.469 5.018 30 20 IKED C[C@H](NC(=S)N(CCC#N)c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1Cl 726440725 MFPIPHQHASSRLC-ZDUSSCGKSA-N 436.364 5.120 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)c(C)cc2C)[n+]2ccccc2CC)c1 726573416 CCBWJKQLMBQJGR-UHFFFAOYSA-O 427.593 5.766 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc1 727589721 ZWFIXJLJRKLKTB-QPPBQGQZSA-N 449.913 5.740 30 20 IKED O=C(OCc1nccn1CC(F)(F)F)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 727774958 ANISTHLUVSREKY-UHFFFAOYSA-N 446.322 5.627 30 20 IKED C#CC[C@H](OC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1)c1ccccn1 727776064 RCNIVMVDZPOZLO-NRFANRHFSA-N 449.304 5.018 30 20 IKED C#Cc1cccc(N(C(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)C(C)C)c1 728248637 ZLQIQCNZNARGSY-UHFFFAOYSA-N 436.511 5.141 30 20 IKED C[C@@H](c1nn(CN(CCC#N)CC(C)(C)C)c(=S)n1-c1ccccc1)N1CCCCC1 729468364 RLOIJDJSZGIWTI-FQEVSTJZSA-N 440.661 5.169 30 20 IKED Cc1ccc(N2CCCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)cc1 729571816 MJPOPLWPIKBGRB-UHFFFAOYSA-N 426.520 5.403 30 20 IKED Cc1nn(-c2ccc(Br)cc2)c(C)c1/C=C/C(=O)c1c(C#N)c2n(c1C)CCC2 731938626 QSJBCANUVPYLNV-ZHACJKMWSA-N 449.352 5.076 30 20 IKED CC(C)n1nccc1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 732919740 UNYQWYHBVHOJJO-MRXNPFEDSA-N 437.931 5.007 30 20 IKED COc1ccc(-c2ccc(C(=O)N[C@H](C#N)c3ccccc3Br)c(F)c2)cc1 733266653 LMTPPHIOKMPYPN-OAQYLSRUSA-N 439.284 5.258 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(CCc2ccccc2)C2CCCC2)ccc1OC 733656175 IRUKJKGQROQATK-HSZRJFAPSA-N 435.568 5.073 30 20 IKED N#CCOc1ccc(CC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)cc1 739629984 YCHQJWXTIYIZQL-UHFFFAOYSA-N 426.394 5.581 30 20 IKED O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1ccc(S(=O)(=O)CC(F)F)cc1 741852632 PFCVWKHEOFGBCF-YRNVUSSQSA-N 436.863 5.535 30 20 IKED Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)cc12 746485762 DMMQDTNMOPJVBS-UHFFFAOYSA-N 437.868 5.081 30 20 IKED N#CCOc1ccc(CC(=O)N(Cc2ccccc2)c2nc3ccc(Cl)cc3s2)cc1 746509626 IWIIBOBKZDDSAY-UHFFFAOYSA-N 447.947 5.628 30 20 IKED N#CCn1cc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(Cl)cc2)CC3)cn1 747433889 ZNBVZJSNPQKVAU-GHRIWEEISA-N 439.906 5.347 30 20 IKED O=C(O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)C1CCN(CC(F)(F)F)CC1 747789346 IFUMVANQKUINIL-ZDUSSCGKSA-N 437.302 5.126 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)[C@@]2(Cc3ccccc3)C[C@H]3CC[C@H]2C3)ccc1OC 747879367 SGEJAUXDASPYMS-IQZMFCRQSA-N 432.564 5.041 30 20 IKED O=C(/C=C\c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(N2CCOC2=O)cc1 748583948 JLVNYZJNQSQUBW-YFHOEESVSA-N 444.434 5.682 30 20 IKED C=CC[C@H](NC(=O)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1)c1ccncc1 749724717 IZPWPSIOPDKSSF-FQEVSTJZSA-N 437.952 5.258 30 20 IKED COc1cccc(NC(=O)/C(=C\c2cnc(-c3ccncc3)s2)C(=O)c2ccccc2)c1 753140478 BRGUMUPHUCEBTD-JCMHNJIXSA-N 441.512 5.119 30 20 IKED C/C(=C/C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1OC(F)F 753204422 NGGMYMBHCYKVRT-BCJNBQOMSA-N 431.323 5.281 30 20 IKED C/C(=C\c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 758872384 GIEMRNAYLGSYKX-YLQKULKDSA-N 428.941 5.177 30 20 IKED COc1ccc(CNCc2cccc(-c3ccc(C#N)s3)c2)c(Br)c1O 760638287 PCDYHFKJRAZNDE-UHFFFAOYSA-N 429.339 5.053 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CC[C@@H](C)NC(=O)OC(C)(C)C 764983651 UDWXEXFTGTXJNL-GOSISDBHSA-N 437.540 5.078 30 20 IKED C=CCn1c(-c2ccccc2C)nn(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)c1=S 765083631 SADSCRVOGAUXSL-XLIONFOSSA-N 426.611 5.057 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccco2)s1 767492753 IWZKBKNPQHDYIR-AWEZNQCLSA-N 426.519 5.198 30 20 IKED C=C(C)C[C@H](C)C(=O)OCc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 767678719 BDVWZICJYAMNQP-ZDUSSCGKSA-N 426.460 5.492 30 20 IKED Cn1cc(/C=C\C(=O)c2cccc(C(F)(F)F)c2)c(-c2ccc3c(c2)OCCCO3)n1 767881378 VHLUYFQSWVYDIE-VURMDHGXSA-N 428.410 5.163 30 20 IKED Cc1sc(-c2ccco2)nc1C(=O)OC[C@H](C#N)Cc1cccc(Br)c1 774395660 JAIPKNUJDCRYRJ-AWEZNQCLSA-N 431.311 5.013 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)O[C@@H](C)c1ccc(F)c(C(F)(F)F)c1 778052024 NMOUFGZQROBMLC-CABZTGNLSA-N 440.359 5.628 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1oc2ccccc2c1COc1ccccc1Cl 780161130 ALWCKQGJLIAKFL-INIZCTEOSA-N 446.890 6.208 30 20 IKED C#Cc1cccc(N(Cc2cccs2)Cc2nnc(C(=O)Nc3ccccc3)s2)c1 780302370 GRJGDRUFOJSXOU-UHFFFAOYSA-N 430.558 5.040 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 780579067 TWAPVESJVAMXPM-HNNXBMFYSA-N 434.883 5.527 30 20 IKED Cc1cc(C(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)nn1-c1cccc(C#N)c1 781015754 XZOFGGNALFALFY-HXUWFJFHSA-N 436.515 5.162 30 20 IKED N#Cc1cc(NC(=O)c2cccc(F)c2Sc2ccccc2)c(Cl)c([N+](=O)[O-])c1 781166508 XCJGRRMFUGLADM-UHFFFAOYSA-N 427.844 5.662 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)O[C@@H](Cc1ccc(F)cc1)C(F)(F)F 781757195 FKDGIHNTHQNPNA-BMIGLBTASA-N 440.359 5.022 30 20 IKED C#Cc1cccc(NC(=O)C(=O)Nc2ccc3nc(-c4cccc(Cl)c4)sc3c2)c1 787895703 GLECTQQIVAXLRJ-UHFFFAOYSA-N 431.904 5.175 30 20 IKED C#CCn1ccc(CN(CC)C(=O)N[C@H](c2ccc([C@@H](C)CC)cc2)c2cccs2)n1 788852996 CZKUBWPEHOZGRG-YADARESESA-N 434.609 5.412 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)O[C@@H](c3cccc(C(F)(F)F)c3)C(C)C)CC2)o1 790891566 RRTVVVYSBLZYTL-LJQANCHMSA-N 435.446 5.030 30 20 IKED N#CCn1c(CN2CCCCC[C@H]2c2ccc(C(F)(F)F)cc2)nc2ccccc2c1=O 791605865 DZHWNJITBHQGJI-NRFANRHFSA-N 440.469 5.056 30 20 IKED C[C@H](/N=C/c1cc(Br)cc(Br)c1O)[C@H]1OCCc2sccc21 793667158 IACIQYQIIQXJOI-KBGGKDDXSA-N 445.176 5.100 30 20 IKED C=CCC(C)(C)C(=O)OCc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 796461529 KUOFKAMFZBVQAI-UHFFFAOYSA-N 426.460 5.492 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@@H](OC(=O)C[C@H](CC#N)c1ccccc1)C(F)(F)F 796740018 OLLKJCOVXAFHFS-WMZHIEFXSA-N 441.453 5.723 30 20 IKED CC(C)(C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1cc(F)cc(C#N)c1 796811103 KXHHRTQVGTVEES-OAHLLOKOSA-N 431.414 5.480 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c(=O)oc2ccc(Br)cc12 797572313 XLNGVVWKYXWXKR-CYBMUJFWSA-N 445.338 5.108 30 20 IKED Cc1cccnc1[C@H]1CCCC(=NNc2nc3ccccc3c(=O)n2CCCOC(C)C)C1 799107282 WEZAPVAWMMCCID-FQEVSTJZSA-N 447.583 5.041 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 804560496 CQIXDKGFEQJPML-UNMCSNQZSA-N 446.636 5.042 30 20 IKED COc1cc(/C=C\C(=O)c2c(C)nn(-c3ccccc3)c2C)cc(OC)c1OCC(F)F 809154611 ZVTRWJOGLQYGBV-KHPPLWFESA-N 442.462 5.046 30 20 IKED Sc1nnc(-c2ccccc2Br)n1N=Cc1ncc(-c2ccccc2)s1 811634143 DUJJGBDQIQHPED-UHFFFAOYSA-N 442.367 5.002 30 20 IKED COCc1ccccc1/C=C(C)/C=C\C(=O)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 814190029 NIBWEMRAMWVLGJ-XJARGUHHSA-N 438.467 5.011 30 20 IKED N#C[C@@H](C(=O)COc1ccccc1Cc1ccccc1)c1nc2ccccc2n1C(F)F 915106737 FQSQNPGVUVMBJP-IBGZPJMESA-N 431.442 5.277 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(-c2ccc(F)cc2)o1 916310344 XITGKHYLGVCWFA-UHFFFAOYSA-N 429.476 5.715 30 20 IKED CC(C)(C)c1ccc(OCc2nnc(S)n2N=Cc2c(O)ccc3ccccc23)cc1 916320574 BNQLCBPGKCGYKW-UHFFFAOYSA-N 432.549 5.184 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCCOc1ccc(Cl)c(C)c1 916901700 AFWVPNDQDWVAAP-INIZCTEOSA-N 449.334 5.125 30 20 IKED N#C[C@@H](C(=O)/C=C/c1cnc2ccccc2n1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 917031597 ZOKPLGYDKVWNPX-GRNXKDEWSA-N 440.572 5.444 30 20 IKED N#C[C@@H](C(=O)COc1c(Cl)cccc1Cl)c1nc2cc(C(F)(F)F)ccc2s1 917042055 AZWCSKIEEVXXMR-JTQLQIEISA-N 445.249 5.877 30 20 IKED N#C[C@H](C(=O)CSc1ccccc1Cl)c1nc2cc(C(F)(F)F)ccc2s1 917043808 OXLAEQGAQANJCO-LLVKDONJSA-N 426.872 5.937 30 20 IKED COc1ccc(OC)c(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)c1 917561642 IRWZDCVJSPDZLG-UXBLZVDNSA-N 442.924 5.394 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cc1 918628098 WLEQUVGITCHXSE-UHFFFAOYSA-N 447.457 5.039 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4nc[nH]c4c3)CCC2)cc1 1786103715 UXGIJEGMJAETBH-UHFFFAOYSA-N 428.536 5.079 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@H]4c4ccc(F)c(F)c4)cc3)CCC2)C1 1786175588 XTYFVBOPARDGQD-SFTDATJTSA-N 436.502 5.169 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)Cc3c(F)cccc3Cl)CCC2)cc1 1786676592 VDPWUZOLVBYICH-UHFFFAOYSA-N 446.975 5.075 30 20 IKED Cc1nscc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1787193395 JUCRQXJYHDNWPO-INIZCTEOSA-N 444.560 5.140 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)/C(C)=C/c3cccnc3)CCC2)cc1 1789457890 DRYVHCDTHWOJAU-BKWQBPKISA-N 429.564 5.387 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc4nc(C)sc34)CCC2)cc1 1791582686 JKUWXWWTVQTKAO-UHFFFAOYSA-N 431.561 5.156 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1[nH]c2c(Cl)cccc2c1C 1796703871 GFMFKJRAWUDDKO-FCGDIQPGSA-N 439.987 5.150 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sccc2OCC)[nH]n1 1814439959 GOKWPHRJBMYBEQ-KRWDZBQOSA-N 444.601 5.168 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)n[nH]1 1822327661 PXVJCAKVEFZAGO-RZUBCFFCSA-N 434.584 5.198 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(OC)c2C)n[nH]1 1823111858 WZSPUIZIMJTTDE-FQEVSTJZSA-N 438.572 5.025 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2oc3ccccc3c2C)CC1 1828124517 DKTMZIPKUSILSB-DEOSSOPVSA-N 448.607 5.743 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CCC)cc2)CC1 1830106239 YTNZJMQCQBYSIP-JOCHJYFZSA-N 432.555 5.084 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(CCCCC)s2)CC1 1831141464 PTSPESVRTRWWON-TZIWHRDSSA-N 445.673 5.321 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2OCC)nnc1-c1ccc(Cl)cc1 16862779 CZXRFNAGEQSIHL-HNNXBMFYSA-N 442.972 5.303 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(C)c3)o2)nc2cc(Cl)ccc2c1=O 17674060 IQQIVHMLCZULLQ-AWEZNQCLSA-N 438.940 5.448 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)nnc1-c1ccccc1 21754847 AUWHSGVDTQIMTB-OALUTQOASA-N 442.588 5.642 30 20 IKED COc1ccc(CCN/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(C)c2)cc1 22802698 DGMQQTDQDCEVJA-UHFFFAOYSA-O 447.624 5.186 30 20 IKED Cc1c(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)sc2cccc(F)c12 33196320 FSFAJUUZLGYDJS-UWVGGRQHSA-N 427.385 5.988 30 20 IKED N#C[C@H](C(=O)c1cccc(NC(=O)c2cccs2)c1)c1nc(-c2ccncc2)cs1 195662483 BALVZEKGWSTXLQ-QGZVFWFLSA-N 430.514 5.009 30 20 IKED Cn1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nnc1-c1ccc(C(C)(C)C)cc1 248035231 MLOASBHZCJMIGC-UHFFFAOYSA-N 439.972 5.035 30 20 IKED Cc1ccc(CN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)Cc2ccco2)s1 303382884 MZRRRJSJPPDLDD-KRWDZBQOSA-N 439.606 5.542 30 20 IKED N#Cc1ccc(SCC(=O)NCCCCSc2ccccc2Br)cc1 303645476 SBLMUSVOQKMWFO-UHFFFAOYSA-N 435.412 5.102 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)c1ccc(OC)c(F)c1 409471237 VUHRKLKPNDAOLZ-ZDUSSCGKSA-N 439.300 5.195 30 20 IKED N#CCCC[C@H](NC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccccc1 432765393 BWXFBNGUYCEZSL-UXHICEINSA-N 427.932 5.454 30 20 IKED CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Nc2cccc(C#N)c2C)cc1 432835056 MPOQQRXQGRXZND-UHFFFAOYSA-N 436.558 5.064 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)cc1 433416327 ZTQBNDNDNIRUCE-FWYSVENZSA-N 444.419 5.598 30 20 IKED Cc1ccccc1-n1ncc(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)c1C(F)(F)F 435449065 NNXYJECJLAMVOE-UHFFFAOYSA-N 428.414 5.111 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 436143811 YEIIKQGPQGJVGV-UHFFFAOYSA-N 449.441 5.737 30 20 IKED C=C(C)Cn1c(S[C@@H](Cc2cccc(Cl)c2F)C(C)=O)nnc1-c1ccncc1 436200234 WUVSEEGTEZUDOR-SFHVURJKSA-N 430.936 5.001 30 20 IKED CCn1ncc2c(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc(-c3ccccc3)nc21 436354754 QSVLLDNWXRXCTM-RCZVLFRGSA-N 435.531 5.030 30 20 IKED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C 437520881 ZFZGPTFFQNYOCD-VGSWGCGISA-N 438.597 5.069 30 20 IKED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1cccc(SC)c1)c1ccc(F)c(F)c1 438013519 OZUVEMFFOVAQRW-WTOYTKOKSA-N 432.536 5.057 30 20 IKED CC(C)(C)C(=O)c1ccc(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 439384900 JXUHXKNJUHWDGJ-UHFFFAOYSA-N 441.487 5.157 30 20 IKED N#Cc1cc(F)ccc1NC(=O)C(=O)Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1 441664162 MYANEGQDAICVJG-UHFFFAOYSA-N 443.356 5.086 30 20 IKED Cc1ccnc(Oc2cc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)ccc2C)c1 460505828 WRYUPKBAJHFPNB-UHFFFAOYSA-N 436.471 5.802 30 20 IKED Cc1ccc(-c2nnc(N3CC=C(c4ccc(C#N)cc4)CC3)n2Cc2cccs2)o1 461478250 GXWQMEJSXRBRKJ-UHFFFAOYSA-N 427.533 5.122 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)cc1 463221003 RUNIJWXMLPKLRV-IZZNHLLZSA-N 443.522 5.329 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](C)CC(=O)c2ccccc2F)cc1 463613306 PCEMLDTYLRPJNI-INIZCTEOSA-N 432.451 5.346 30 20 IKED CCCC(=O)Nc1cccc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1C 464928662 WPOUMRYGPZASAA-UHFFFAOYSA-N 427.504 5.958 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CC(c2nc3ccccc3s2)C1 465521864 VLTAMCWVLCDKHH-UHFFFAOYSA-N 427.554 5.559 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)Nc3ncccc3OCCCC#N)s2)cc1 466606103 FXCYPRMULJBZCG-GOSISDBHSA-N 449.580 5.729 30 20 IKED C=CCOc1ccc(CN(C(=O)CCc2nc(-c3ccsc3)no2)C(C)(C)C)cc1 467900056 RHXNZFOJXLATDU-UHFFFAOYSA-N 425.554 5.123 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(O[C@H]4CCOC4)cc3)cc2Cl)c1 469091232 TXWNLYGEVTWULW-QFIPXVFZSA-N 448.906 5.211 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)CCc3cccc(OC4CCCC4)c3)ccc21 469946526 CXNPCZNYQKYKGX-UHFFFAOYSA-N 445.563 5.162 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)CCCc3ccc(Cl)c(Cl)c3)ccc21 469970619 ANZHHTFTOFFOLD-UHFFFAOYSA-N 444.362 5.538 30 20 IKED N#CC[C@@H](CC(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1)c1ccccc1 475104735 WWHGTSYMDPOTJQ-SFHVURJKSA-N 431.363 5.245 30 20 IKED CC(C)(C#N)CCCSc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 475932688 KJNXBDZMOVJABU-UHFFFAOYSA-N 445.386 5.771 30 20 IKED C=CCn1c(SCc2csc([C@@H](C)OC)n2)nc2sc3c(c2c1=O)CC[C@H](C)C3 476509080 BWXMQFYRYKABRO-QWHCGFSZSA-N 447.651 5.225 30 20 IKED COc1cc(CSCc2csc([C@@H](C)OC)n2)ccc1OCc1cccc(C#N)c1 477002393 OIUJORGHQOETAO-MRXNPFEDSA-N 440.590 5.743 30 20 IKED CCc1nc2c(s1)[C@H](N(C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N)CCC2 478040157 KISOYGUVZKQGTE-MAUKXSAKSA-N 428.627 5.048 30 20 IKED C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481593484 GBDPUEHINXARJL-OAHLLOKOSA-N 439.437 5.779 30 20 IKED CS(=O)(=O)c1cccc([C@H](N[C@@H]2CCCCc3cc(C#N)ccc32)c2ccccc2)c1 481648681 AJUABALVLZLQIH-CLJLJLNGSA-N 430.573 5.108 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 481923352 ZQEYZFHSDNLBFK-RHSMWYFYSA-N 441.919 5.301 30 20 IKED CC(=O)c1ccc(-c2ccc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)o2)cc1 487887335 QHIYBYOKIXODFR-UHFFFAOYSA-N 426.394 5.226 30 20 IKED C=CCn1c(SCC(=O)Nc2cc(C)cc(OC)c2C)nnc1-c1ccc(Cl)cc1 488105178 CBAQNHYLHAMTQB-UHFFFAOYSA-N 442.972 5.141 30 20 IKED O=C(Nc1cc(F)c(OC(F)F)cc1F)c1ncoc1-c1cccc(C(F)(F)F)c1 490281609 DYWALGIQFPQRGA-UHFFFAOYSA-N 434.267 5.492 30 20 IKED Cc1cc(Nc2ccc(CS(=O)(=O)C(C)(C)C)cc2)n2c(nc3ccccc32)c1C#N 498245352 OEBCFZNBBXLGKS-UHFFFAOYSA-N 432.549 5.125 30 20 IKED CCCOc1c(Br)cc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)cc1OC 499321238 YRTXQXSYCRPTAU-UHFFFAOYSA-N 445.357 5.421 30 20 IKED N#Cc1ccc(CC(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)cc1 505050477 ISIOWMTUDUTFMV-UHFFFAOYSA-N 441.384 5.150 30 20 IKED N#C[C@H](NC(=O)c1ccccc1CCC(F)(F)F)c1ccc(OCc2ccccc2)cc1 505355576 JXYMFEOXKMYBGS-QHCPKHFHSA-N 438.449 5.755 30 20 IKED C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(OC2CCCCC2)CC1 508847867 LRFGITVYYANWBD-UHFFFAOYSA-N 433.556 5.104 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc1 510670854 YLFHMCCJVGARNJ-NRFANRHFSA-N 433.533 5.625 30 20 IKED CCC(CC)N(C(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@@H]1CCCc2cccnc21 511314670 KJGOENNOYTYKCD-XMMPIXPASA-N 446.595 5.203 30 20 IKED COc1ccc2cc(CN(C)C(=O)c3ccc(COc4ccccc4C#N)o3)ccc2c1 512352413 IZTFMTVZBCVZCY-UHFFFAOYSA-N 426.472 5.164 30 20 IKED N#Cc1cc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(C#N)c3)s2)ccc1Cl 514431926 PLNMPUQAZJSLKR-UHFFFAOYSA-N 441.299 5.303 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OCC(F)(F)F)cc3)n2)cc1 516269882 BUVZTLGISYLSTI-QGZVFWFLSA-N 427.407 5.113 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccc(Cl)cc4)s3)n2)cc1 516270137 NIJAUAUWVKIGPY-SFHVURJKSA-N 445.956 6.554 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)oc2c1ccc1ccccc12 516270315 RMFNUVAIQUBSHL-OAQYLSRUSA-N 433.492 6.380 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1ccc(-c2ccccc2)[nH]1 518668822 OFBUEBZHTVCNSI-UHFFFAOYSA-N 443.494 6.278 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(-c3cccc4ccccc34)no2)CC1 520303335 KSBWJOKKFQIBEC-UHFFFAOYSA-N 437.459 5.393 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)[C@H](NC(=O)c3ccccc3)c3ccccc3)cc2)c1 521328090 HJLOOUFOPNMZKO-AREMUKBSSA-N 447.494 5.460 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(COc4cccc(C#N)c4)c3)n2)cc1 522479686 KSTYXJITQUVSQC-DEOSSOPVSA-N 449.535 6.059 30 20 IKED C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 523015177 BCCVTBGQJFWORZ-IBGZPJMESA-N 447.966 6.080 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1OC 523749328 WTKICNUMBROSGD-XMMPIXPASA-N 442.515 5.132 30 20 IKED Cc1cc(C)c2c(-c3ccccc3)nc(SCc3nnc(-c4cccc(C#N)c4)o3)n2n1 525111094 IGPWLKHHGWLQMN-UHFFFAOYSA-N 438.516 5.227 30 20 IKED C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CSc1ccc(C#N)cc1F 525116446 WRQCFGIFIRRWCP-QGZVFWFLSA-N 447.535 5.261 30 20 IKED N#C[C@@H](NC(=O)C1(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(OC(F)(F)F)cc1 525837903 IYBKSBNOQOKMMI-MRXNPFEDSA-N 428.332 5.017 30 20 IKED CCN(Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1)[C@@H](C)c1ccc(C#N)cc1 533774321 DFVJUXYRLOPWKG-INIZCTEOSA-N 438.984 5.936 30 20 IKED Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)ccc1NC(=O)c1cccs1 536098151 JSKPCFZEWKUDPG-UHFFFAOYSA-N 431.561 5.479 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)Cc2cccc(OCc3cccnc3)c2)cc1 536116672 KGHKVOYXTVXGRW-UHFFFAOYSA-N 435.483 5.506 30 20 IKED N#CC1(c2ccc(C(=O)Nc3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)cc2)CC1 537413857 ZGWXBVINXRMSGO-UHFFFAOYSA-N 449.432 5.765 30 20 IKED N#Cc1cccc(-c2nnc(CN[C@H](c3ccc(Cl)c(C(F)(F)F)c3)C3CC3)o2)c1 538322495 WLFKTBXNPAKREX-IBGZPJMESA-N 432.833 5.521 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cnc(Oc2ccccc2)cn1 540237142 RVYJITKXXVATBK-UHFFFAOYSA-N 444.438 5.546 30 20 IKED CC(C)(C)c1cc(NC(=O)c2ccc(Br)cc2C(F)(F)F)c(C#N)s1 540640302 BDZFTTGQLDEZLJ-UHFFFAOYSA-N 431.277 5.951 30 20 IKED C[C@H](NC(=O)N[C@H](c1ccccc1)c1nccs1)c1ccc(-c2cccc(C#N)c2)cc1 542962720 RPXZAFQQLVTMOE-MHECFPHRSA-N 438.556 5.832 30 20 IKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 542966019 HAPQROBDIBKBIV-UHFFFAOYSA-N 441.944 5.004 30 20 IKED CCS(=O)(=O)Nc1ccc([C@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 543034445 LEWIYOWPPKAVGA-OALUTQOASA-N 433.577 5.399 30 20 IKED C[C@H](N[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1)c1ccc(-c2cccc(C#N)c2)cc1 543961275 HLRHGFNULPRJIX-PMACEKPBSA-N 445.588 5.177 30 20 IKED OCc1ccc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)cc1 543980381 CJOJPMIIWZCPFU-OAHLLOKOSA-N 431.298 5.610 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cccc2c1CCN2C(C)=O)c1ccc(C(F)(F)F)cc1 546685130 IVZQKUNUFWRCGZ-LJQANCHMSA-N 431.458 5.443 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@@H](c4cccc(F)c4)C3)c2)cc1 552625822 CEWJXNAXJDDFIU-JOCHJYFZSA-N 429.495 5.492 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(OCc2ccncc2)cc1 553421070 KSIVNBNTEAVNHY-UHFFFAOYSA-N 435.483 5.885 30 20 IKED N#CC1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2Cc2cccs2)CC1 555437109 UUKVCAJMDABWQC-UHFFFAOYSA-N 449.580 5.662 30 20 IKED N#CCC1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@H]2CCCO2)CC1 559100381 JCVZDAIHYGKHES-MRXNPFEDSA-N 441.988 5.122 30 20 IKED N#Cc1cccc(C2(NCc3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)CC2)c1 565965732 DLMKWSAOZTZAGX-UHFFFAOYSA-N 436.342 5.896 30 20 IKED COc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 566649393 KEIFTWYNDHPFAI-VWLOTQADSA-N 442.519 5.903 30 20 IKED C[C@H](CC#N)N(C)c1nnc(COc2ccccc2-c2ccccc2)n1Cc1ccccc1 571579860 FPVYXVPPUYAVIF-OAQYLSRUSA-N 437.547 5.311 30 20 IKED C[C@@](C#N)(NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)C1CCCCC1 572673721 LXEZZFBQVYXEBW-DHLKQENFSA-N 437.971 5.180 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 574815949 CPOCPLQIRMMDEP-DYVFJYSZSA-N 438.380 5.633 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1c(-c2ccc(Cl)c(Cl)c2)noc1C 578537390 XVAJZRMKNBPLKH-UHFFFAOYSA-N 435.307 5.261 30 20 IKED CC[C@](C)(NC(=O)c1ccccc1)c1noc(-c2cn(CCCC#N)c3ccccc23)n1 589156557 VKMXJFKPRYSAOC-VWLOTQADSA-N 427.508 5.050 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(OC)c(OCc3ccc4ccccc4n3)c2)cc1 590257547 BGWOLZTUPCDPFE-UHFFFAOYSA-N 440.499 5.640 30 20 IKED Cc1ccc(C(=O)c2ccccc2C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1C 592973168 AFPVMSQEPWBDJW-HXUWFJFHSA-N 428.488 5.773 30 20 IKED COC(=O)c1sc2cccc(F)c2c1CN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604276489 LRUHHJSYPAKECG-AOOOYVTPSA-N 443.384 5.390 30 20 IKED CC(C)CC(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1 604443991 JNXVQKKKJYKIGC-UHFFFAOYSA-N 443.507 5.052 30 20 IKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 604522854 JPKVCYRFKUXGQY-BKMJKUGQSA-N 441.531 5.982 30 20 IKED CC(C)CC(=O)Nc1ccc(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F 607805368 YXLSEDNKTVDEHZ-CHWSQXEVSA-N 442.375 5.013 30 20 IKED C[C@H](CN(C)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1ccccc1 608965759 LEKLLJSSTSITFZ-LJQANCHMSA-N 443.572 5.165 30 20 IKED CCCN(C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H](C)c1cc2ccccc2o1 609403292 KHWLVWPOEOLLDM-ZWKOTPCHSA-N 449.576 5.623 30 20 IKED Cn1cc(-c2cncc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c2)cn1 609410173 JPLQMGSDUHYEFU-JOCHJYFZSA-N 427.895 5.043 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H]3CCN(CCc4ccccc4)C3)cc2)c1 609433705 DDBAHEKAJVFINC-HSZRJFAPSA-N 440.547 5.037 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 609501436 PUNYDISPIUPDID-UHFFFAOYSA-N 427.316 5.422 30 20 IKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cccc(COc2ccccc2C#N)c1 609629954 MGYPVGCVEYCUPA-XNMGPUDCSA-N 440.543 5.377 30 20 IKED COc1cc(CSc2nnc(-c3ccccc3)n2C)ccc1OCc1cccc(C#N)c1 609721963 KPAMVGVUUHQSHX-UHFFFAOYSA-N 442.544 5.234 30 20 IKED Cc1cc(C(=O)N[C@]2(C#N)CCSC2)ccc1N[C@H](C)c1cc(Cl)ccc1Cl 610166298 NYPSOVVPFSQVOG-SZNDQCEHSA-N 434.392 5.604 30 20 IKED Cc1cc(C#N)ccc1C(=O)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 610970226 JUZQUURFYWJCMO-RUZDIDTESA-N 444.579 5.196 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N[C@H]1CCc2cc(C#N)ccc21 618739267 OSLKGCMNEGKESO-QFIPXVFZSA-N 439.346 5.014 30 20 IKED N#C[C@@H](C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1nnc2n1CCCCC2 620445745 HWHIHFQQXWUPFF-FQEVSTJZSA-N 436.968 5.440 30 20 IKED CC(C)(C)[C@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F 675204645 QEZKWKSMKYCYQQ-MBNYWOFBSA-N 432.355 5.434 30 20 IKED N#C[C@H](C(=O)c1ccc([C@H]2CCCOC2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 679537708 IWVVEBWCYRWMAL-DOTOQJQBSA-N 430.451 5.699 30 20 IKED O=C(c1ccc(-c2ccccc2C(F)(F)F)o1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 682749800 KUKHIGBQQGSEEW-TXEJJXNPSA-N 445.281 5.778 30 20 IKED FC(F)(F)Oc1cccc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)c1 727971300 UKUHPEOZCZARKW-UHFFFAOYSA-N 428.439 5.092 30 20 IKED Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 728005122 IGTPPFJZCYZNKY-UHFFFAOYSA-N 442.906 5.537 30 20 IKED N#C[C@@H](C(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1)c1nc2ccccc2s1 730394622 JJYIVTQOGNZUQZ-AOMKIAJQSA-N 436.508 6.284 30 20 IKED Cc1nc(CCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)oc1-c1ccccc1 730397169 YOJGNRFYUGPFPF-INIZCTEOSA-N 442.302 5.237 30 20 IKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1cccnc1Cl 731040307 QYZPUZSHQXODHL-NSHDSACASA-N 428.867 5.199 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cccc2c3c([nH]c12)CCCC3 731071534 RNMMMRCZMFJMJP-INIZCTEOSA-N 447.560 5.094 30 20 IKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nnn1-c1cccc2cnccc12 731165870 IGDZWPWGUZNVQC-XMMPIXPASA-N 444.498 5.032 30 20 IKED CCc1c(C(C)=NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)oc2ccccc12 733079621 GGDSQYAZOYELMR-UHFFFAOYSA-N 425.414 5.702 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F 733145963 MCLPQHJMNHMANH-HXUWFJFHSA-N 427.476 5.086 30 20 IKED C#CCN(C(=O)Nc1ccc(OC)c(Cl)c1)[C@H]1CCOc2ccc(Br)cc21 733614371 AWLNDDCSFMPSIL-KRWDZBQOSA-N 449.732 5.102 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)ccc1OC 733648951 NLPPXVGXEMFYMS-NFBKMPQASA-N 441.959 5.370 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccc(Cl)c(Cl)c2)C(C)C)c1 733851557 CKLQFTQKGXZTJI-GOSISDBHSA-N 434.367 5.795 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)c2nc3ccccc3s2)cc1 734209011 CIEATJQHJOYWMY-HNNXBMFYSA-N 444.516 5.852 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F 741431112 PIEIVCYSMPCAON-QRVBRYPASA-N 438.405 5.189 30 20 IKED O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccncc1)c1cccc(-c2ccncc2)c1 741472078 DYHUROBPXCARDP-MDZDMXLPSA-N 428.495 5.892 30 20 IKED CC(=NNc1cc(C)c2ccc(C)c(C)c2n1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741756546 KCDDXLKTXNQAIG-UHFFFAOYSA-N 449.498 5.332 30 20 IKED CSc1cccc([C@H](NC(=O)Cc2ccc(OCC#N)cc2)c2ccc(F)c(F)c2)c1 742803273 JBJMQNDGTBKNNN-DEOSSOPVSA-N 438.499 5.037 30 20 IKED Cc1c(CSC(C)C)cccc1NC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 743205166 LNFPWOZPHKFUFJ-UHFFFAOYSA-N 438.597 5.113 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1NC(=O)CC(C)C 744031516 ZKBTVCGSLJLISL-MRXNPFEDSA-N 446.334 5.248 30 20 IKED C[C@@H](OC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)N(CCC#N)c1ccc(F)cc1 744504227 NSTXDSLZMPOMLY-OAHLLOKOSA-N 440.858 5.231 30 20 IKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1 744676780 CLXRMZSLRBAUFR-GFCCVEGCSA-N 444.274 5.013 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C1CCC(c2ccccc2)CC1 745501487 MLPFXENBZOJXBZ-PELRDEGISA-N 436.577 5.394 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 747111882 WBCYYCCWPQKCTQ-MZNJEOGPSA-N 428.536 5.023 30 20 IKED CC1([C@H]2CCCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2)OCCO1 752502629 WIIQTDZIBLSXHM-GHTZIAJQSA-N 439.943 5.002 30 20 IKED C#CCCCCNC(=O)c1ccccc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 758639414 GSMVQPLVCMUKJI-UHFFFAOYSA-N 435.376 5.258 30 20 IKED C#CCNC(=S)/C(=C(/O)c1ccc(Oc2ccccc2)cc1)[n+]1ccc2c(c1)CCCC2 759054339 KRGDYNOORZZRSH-UHFFFAOYSA-O 441.576 5.079 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CNc2ccc(Cl)cc2[C@H](O)c2ccccc2)c1C 759777490 RRUZLSKIZRZCOD-AREMUKBSSA-N 447.966 5.397 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(Br)c2O)cc1 765236158 ZZJJJYQIXVIJCE-LJQANCHMSA-N 436.309 5.132 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CC=C(c4ccc(Cl)nc4)CC3)c2)c1 773811213 BQMFMNJRWVHIRD-UHFFFAOYSA-N 429.907 5.115 30 20 IKED N#CCOc1ccc(CN[C@H](c2ccc(Br)cc2C(F)(F)F)C2CC2)cc1 774237851 ZQJCKGDHWBRXHN-IBGZPJMESA-N 439.275 5.611 30 20 IKED COc1cccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC2(C#N)CC2)c1OC 775826617 RCLCIADLTXDYPJ-SAPNQHFASA-N 440.499 5.199 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(C#N)c(F)c2)cs1 776726523 KHTRPRKTOWLWIB-TWGQIWQCSA-N 425.872 5.388 30 20 IKED O=C(/C=C\c1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1c(Cl)nc2sccn12 777466647 CFVCWNWDPIRXIE-UTCJRWHESA-N 436.846 5.209 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1 778297803 LXWCODSFXORJJO-CKFHNAJUSA-N 448.489 5.027 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2cccc(-c3cccs3)c2)cc1 783097940 QTZZOSJTQNQTAI-HSZRJFAPSA-N 437.524 5.648 30 20 IKED CN(CCC#N)c1ccc(CN[C@@H](Cc2ccccn2)c2ccc(Br)cc2)cc1 788969751 NKHJYUWDAINKEM-DEOSSOPVSA-N 449.396 5.268 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc4ccccc4c3)n2)cc1 796661719 MHRJSBUXXMVGKW-KSFYIVLOSA-N 428.513 5.616 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OCCCC3(C#N)CCOCC3)cc12 800095979 GNRJQHQGVOVYRW-UHFFFAOYSA-N 443.956 5.306 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1Oc1ccncc1 801499820 HAXNHQASOKHGQN-QGZVFWFLSA-N 447.516 5.064 30 20 IKED C#CC[C@@H](Cc1ccccc1)NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 803524552 ZMBKZYGFOWLOFM-IBGZPJMESA-N 428.479 5.122 30 20 IKED N#Cc1ccc(/C=C2\SC(=S)N(CCCCC(F)(F)F)C2=O)c(C(F)(F)F)c1 811624739 OZPKVPOMTCHEIZ-JYRVWZFOSA-N 438.418 5.511 30 20 IKED C#C[C@H](NC(=O)CCc1ncc(-c2ccccc2Br)o1)c1ccc(Cl)cc1 811947371 CSSOXICFSBDPCV-SFHVURJKSA-N 443.728 5.181 30 20 IKED CC(=NNc1ncnc2sccc12)c1ccc(Br)cc1Br 814767534 LEZKWQDCCOQSQJ-UHFFFAOYSA-N 426.137 5.052 30 20 IKED N#Cc1ccc(Br)c(CNc2cccc(C[S@](=O)C3CCCCC3)c2)c1 864011383 DEDOATBRMJPSMI-SANMLTNESA-N 431.399 5.514 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1 915086091 GFHLSQFGGWHPPZ-NRFANRHFSA-N 429.907 5.375 30 20 IKED COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)[C@@H](C#N)c5nc6ccccc6n5C)(C4)C2)C3)cc1 915100508 SUMYZGAGOAYLQF-ZWQWVGFXSA-N 439.559 5.296 30 20 IKED N#C[C@@H](C(=O)C1(c2cccc(Br)c2)CC1)c1nc2ccccc2n1C(F)F 915103944 IIUNFQHJGTYMNH-AWEZNQCLSA-N 430.252 5.102 30 20 IKED Cc1cc(CSc2ccccc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)on1 916073983 JQHYHWCINZMCGH-UHFFFAOYSA-N 442.500 5.587 30 20 IKED N#C[C@H](C(=O)CCCOc1cccc(F)c1)C(=O)Nc1ccccc1Oc1ccccc1 918486992 HZFIXKAODGHFJL-OAQYLSRUSA-N 432.451 5.125 30 20 IKED C[C@H](Sc1ccccc1Cl)C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 919511620 MQMBHOBXRXGHCK-HNNXBMFYSA-N 426.925 5.115 30 20 IKED Cc1ccc(-n2nnc(CC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2C)cc1 920322843 ACUWWCYLYWRFRW-IBGZPJMESA-N 447.951 5.080 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)n1 920326856 FNBNDQXQIWJVLK-FQEVSTJZSA-N 435.549 5.341 30 20 IKED Cn1cc(C=NNc2nc(C(F)(F)F)nc3ccccc23)c(-c2cc3ccccc3o2)n1 920369033 RZYMZXPZMODBIA-UHFFFAOYSA-N 436.397 5.241 30 20 IKED CC[C@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(Cl)cc1 920841102 GVHIGLPGUSRKAQ-IBGZPJMESA-N 439.899 5.371 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=S)Nc2ccc(Cl)cc2Cl)cc1 920994868 ZEBXXPHFHIUODB-UHFFFAOYSA-N 444.362 6.403 30 20 IKED Cc1sc2nc(CCC(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)nc(O)c2c1C 1556301242 ZHCUSHOPZZMKAW-UHFFFAOYSA-N 444.516 5.249 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCc3c(C)noc3C)cc2)CCC1 1786910884 WSOGWWONVCUMEL-UHFFFAOYSA-N 437.584 5.351 30 20 IKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Oc4ccccc4)cc3)CCC2)cc1 1787649493 HNLKMHWECQUDDB-UHFFFAOYSA-N 425.488 5.140 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3nc4ccccn4c3C)cc2)CCC1 1788936059 UNEXANYOAKAJOG-JOCHJYFZSA-N 442.563 5.159 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(OC)ccc4o3)cc2)CCC1 1789239824 FCFUYHQHWSSXLR-UHFFFAOYSA-N 444.531 5.383 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)cc2)CCC1 1789994397 ZPFVLONYSLJJHG-UHFFFAOYSA-N 440.503 5.147 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4ccccc34)CCC2)cc1 1790568091 MPUBPMXLYDMGHZ-LJQANCHMSA-N 443.547 5.388 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@H]3OCCc4ccccc43)CCC2)cc1 1791244443 SXOCXUMRXXORMB-NTKDMRAZSA-N 432.564 5.037 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C3CC3)cc2)[C@@H]1c1cccnc1 1811846916 ANBFMSZDDNVFIG-DQEYMECFSA-N 445.607 5.271 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccccc3n2C)n[nH]1 1818435499 OBCHWYWHDMHPAA-NRFANRHFSA-N 447.583 5.200 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3cc(C)[nH]c23)[nH]n1 1819305612 MBCLSHDVIYJKNC-DENIHFKCSA-N 445.567 5.274 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3nscc23)[nH]n1 1819309311 RQYUJOPJMJJZPM-IIBYNOLFSA-N 449.580 5.094 30 20 IKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC(C)(C)C)[nH]n1)c1ccccc1 1819518459 QZGJVYNXVOBKMH-RBBKRZOGSA-N 434.584 5.035 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3nc(C)ccc3o2)[nH]n1 1819554049 BBDKDNMMZQIEQY-LJQANCHMSA-N 449.555 5.158 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC)cc2C)n[nH]1 1820655797 KDWWQOVXYUZKFV-NRFANRHFSA-N 438.572 5.025 30 20 IKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCCCC(C)(C)C)n[nH]1 1822113835 DVSWTFJWUVOQKS-AZUAARDMSA-N 447.624 5.199 30 20 IKED Cc1ccsc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823211024 JANVRPFQMMEIQE-JXFKEZNVSA-N 447.564 5.026 30 20 IKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)s1 1823212075 SDVMKYYXKVFVSI-MGPUTAFESA-N 447.564 5.026 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1825424426 OCTPZYJNEVFKQH-LVXARBLLSA-N 447.623 5.436 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3cccnc23)CC1 1828038349 UDJRIGUQZAQLSG-ILBGXUMGSA-N 445.607 5.237 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccccc1 9446868 YVLLEXKVIKOGIE-ZDUSSCGKSA-N 433.364 5.557 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CSc2nc(C)c(C)n2C2CCCCC2)cc1 10989703 CZCXRQHBSDPVGY-UHFFFAOYSA-N 440.613 5.443 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccccc2F)cc1 11171098 NHLSCIWKLZEWIN-UHFFFAOYSA-O 435.588 6.240 30 20 IKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2cccc(O)c2)c1 11268246 VOVYCSDEMBQRSO-UHFFFAOYSA-O 432.352 5.346 30 20 IKED C=CCN(C(=O)c1ccc(OC)c(Br)c1)c1nc(-c2ccccc2)cs1 20008100 GUVFQTNEBGXFOD-UHFFFAOYSA-N 429.339 5.414 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 32785670 GOWVZIGEKLRGOG-ZWKOTPCHSA-N 446.576 5.159 30 20 IKED O=C(/C(=C(\S)Nc1ccc(SC(F)F)cc1)[n+]1ccccc1)c1ccc(F)cc1 36275074 UGRQEFQVGJSFSU-UHFFFAOYSA-O 433.500 5.479 30 20 IKED CCOc1ccc(Oc2ccc(NC(=O)N(CCOC)Cc3ccc(C#N)cc3)cc2)cc1 58415779 VYDCHRIBNPEMCC-UHFFFAOYSA-N 445.519 5.430 30 20 IKED C=CCn1c(S[C@H](C)c2nc(C3CC3)no2)nc2sc3c(c2c1=O)CCCCC3 59405662 XZEAXIXYGKNYQL-GFCCVEGCSA-N 428.583 5.027 30 20 IKED C=CCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)Cc1cccc(C#N)c1 63300813 OESLXDBSNMZMOX-NRFANRHFSA-N 446.601 5.047 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 63391850 KVRFCVJKRSHZCG-UHFFFAOYSA-N 430.464 5.067 30 20 IKED N#C[C@@H](C(=O)c1ccnc(OCc2ccccc2)c1)c1nc(-c2c(F)cccc2F)cs1 64715441 KURGKUUGGBTEDD-KRWDZBQOSA-N 447.466 5.552 30 20 IKED C=CCn1c(-c2sc(NC(=O)c3ccc(-c4ccccc4)nc3C)nc2C)n[nH]c1=S 111200104 PVTNIQIKCUYZPL-UHFFFAOYSA-N 448.577 5.181 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H]1CCCO[C@H]1c1ccccc1 409810812 JGAZMIYMRHOLOH-GJZUVCINSA-N 441.531 5.948 30 20 IKED CN1CCC[C@@H](CNC(=O)c2cccc(SCC#N)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 430647114 XOUWMFYPVLWBGR-RXVVDRJESA-N 447.526 5.134 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 432596667 URTVMBKYYRPDDU-VWLOTQADSA-N 431.923 5.226 30 20 IKED COc1ccc([C@@H](CO)N(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 434219426 DHKLUOFAVLLWNE-ISKFKSNPSA-N 449.938 5.201 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Sc4ccncc4)cc3)o2)cc1 435370618 PRRSDESVAAFYLF-UHFFFAOYSA-N 427.485 5.529 30 20 IKED N#CCCSc1ccccc1NC(=O)c1ccc(-n2ncc3ccccc32)cc1Cl 435874862 OIPSPWNNTKMIFP-UHFFFAOYSA-N 432.936 5.937 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(Cc1ccccc1)C1CCCCC1 437278770 UKBFSRQXLHDTRR-IBGZPJMESA-N 435.593 5.381 30 20 IKED COc1cc(Oc2ccccc2)ccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 437909849 ZMJTVINLALZUPO-UHFFFAOYSA-N 443.503 5.153 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCCc3nc(C(F)(F)F)cs3)cc2)c1 438065582 IUYRSGVXFQZZCC-UHFFFAOYSA-N 432.427 5.190 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(CSC2CCOCC2)c1 438485084 SSTSTKDVGBRDQA-BJKOFHAPSA-N 435.593 5.402 30 20 IKED CCCc1c(NC(=O)N2C[C@H](C)C[C@H]2c2cccc(OC)c2)cnn1-c1cccc(C#N)c1 439676381 WLRJJVKTRXHZMK-CJAUYULYSA-N 443.551 5.320 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1ccc2[nH]c(C)cc2c1)c1ccc(C(F)(F)F)cc1 442056858 MYIJJRHBKUFXKH-LJQANCHMSA-N 429.442 5.257 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccc(NC(C)=O)cc1OC)c1ccc(C(F)(F)F)cc1 442211311 DVZNGRBUNHZBHB-GOSISDBHSA-N 435.446 5.501 30 20 IKED C=CC[C@H]1N(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)CCCC1(C)C 444841336 WUVJUGBUNYNFMB-LJQANCHMSA-N 449.473 6.149 30 20 IKED C[C@H]1C(=O)N(c2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C(=O)N1C1CCC1 445925188 LWJOMIUNMKRZSY-ZDUSSCGKSA-N 429.398 5.079 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(CC(F)(F)F)CC1 460788101 UJQTWIFYPPFUSN-UHFFFAOYSA-N 428.886 5.352 30 20 IKED C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)c1cccc(Cl)c1 460945940 CFWGGPAWQVOOEH-OAHLLOKOSA-N 434.931 5.021 30 20 IKED CCCN(C(=O)[C@@H](C)Oc1ccccc1C#N)[C@H](c1cccnc1)c1ccc(F)c(C)c1 461534772 KBNZHLSOMLGTQS-CLOONOSVSA-N 431.511 5.196 30 20 IKED N#Cc1cccnc1Oc1ccccc1N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O 473663273 GYWCQCXNWPQGOH-GOSISDBHSA-N 439.302 5.270 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2ccccc2SCc2cn3ccccc3n2)n1 474421212 KZUYUWPFPRJKEA-SFHVURJKSA-N 432.574 5.697 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 474507225 DGCQIBJPTGOBET-HXUWFJFHSA-N 432.376 5.937 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O 476148087 MGFCVOHQYLGPQB-GOSISDBHSA-N 441.369 5.293 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CSc1nnc(-c2ccco2)n1CC(=C)C 476152773 MXAGBGZOPPSWRS-UHFFFAOYSA-N 436.581 5.697 30 20 IKED C[C@H](NC(=O)CCc1ccc(C#N)cc1)c1nc(-c2ccc(Br)cc2)cs1 478505079 XHKDEDMZCSHPOU-AWEZNQCLSA-N 440.366 5.254 30 20 IKED Cc1ccc2c(c1C)OC[C@@H]2NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 480180019 ITFHNSZELDIFIC-DEOSSOPVSA-N 427.504 5.204 30 20 IKED N#CCSCc1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1 480336282 MFWYDHDUQNXGIU-UHFFFAOYSA-N 426.807 5.353 30 20 IKED C[C@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C[C@H](c2ccccc2)O1 481569554 KWAPTIHZOOFODE-AVRWGWEMSA-N 445.494 5.270 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(S(=O)(=O)C4CCCC4)cc3)c2)cc1 482696988 VYSCKKNTZPIGCE-UHFFFAOYSA-N 446.528 5.319 30 20 IKED CC(C)(C#N)c1ccc(C(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)cc1 483310129 VMPMSYJGTKXULL-UHFFFAOYSA-N 426.303 6.234 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(C)cc3)o2)cc1 483443751 VXMVXLIUAPCGDR-UHFFFAOYSA-N 437.499 5.485 30 20 IKED COc1cc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1SC 483446239 ZATKQPIVURGVNC-UHFFFAOYSA-N 431.539 5.170 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1nc2c(cc1C#N)CCCC2 484133114 JHQIZOIVYFUQOW-UHFFFAOYSA-N 426.398 5.067 30 20 IKED C=CCOc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1 484224819 APHLZGOYTCIKFP-UHFFFAOYSA-N 438.886 5.226 30 20 IKED COc1cccc([C@@H]2CN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CCO2)c1 484819830 HXRSLIVHGDFPKS-DEOSSOPVSA-N 444.556 5.073 30 20 IKED C=CCSc1ccccc1NC(=O)CNc1ccc(Cl)cc1NC(=O)c1ccco1 486461385 QARVIIIBCWOVIX-UHFFFAOYSA-N 441.940 5.514 30 20 IKED C=CC[C@@H](C(=O)Nc1ccc(OC)c(OCc2cn3ccccc3n2)c1)c1ccccc1 488651099 CUVKOHCNIVJIDH-JOCHJYFZSA-N 427.504 5.220 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(F)cc3Cl)o2)cc1 489805332 OLNYPWOMZWDEOH-GFCCVEGCSA-N 433.892 5.213 30 20 IKED CCc1ccc(C(=O)CCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 490649949 NRSCFPJNLOLUOY-UHFFFAOYSA-N 426.516 5.496 30 20 IKED CCCCCC(=O)NC1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1 498456481 FRGIAHLBDKBPDJ-UHFFFAOYSA-N 435.593 5.011 30 20 IKED CCCCCC(=O)NC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 498812372 DZTQIJNQISBPLC-UHFFFAOYSA-N 434.540 5.043 30 20 IKED N#CCCN(Cc1cccnc1)C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1 499341376 FJWTVEGALOCIPA-XMMPIXPASA-N 435.980 5.500 30 20 IKED N#C[C@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccc(Br)cc1 499394051 JWIIVRNMZZPRIK-FQEVSTJZSA-N 449.308 5.088 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)CCc1nc2ccccc2s1 500116883 ZKPBBFVWOLBZQU-UHFFFAOYSA-N 433.346 5.345 30 20 IKED CC(C)Oc1ccc(NC(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)cc1C#N 501341142 NUOPISQDMUVFRX-OAQYLSRUSA-N 445.523 5.545 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc2c(c1)CC(=O)N2 506207052 KXEFFMFIPYEUMV-BTYIYWSLSA-N 444.922 5.373 30 20 IKED C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(c2nc3ccccc3[nH]2)CC1 508954907 CGOLPORTCPZWTH-KRWDZBQOSA-N 446.530 5.004 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2nc3ccccc3s2)cc1Cl 510023648 OATZCNAUKXKKCM-GOSISDBHSA-N 432.936 5.927 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 510244400 QZHBDRIUSHBEOB-UHFFFAOYSA-N 437.839 5.563 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H]3CCc4c(Cl)cccc43)s2)cc1 510606502 CBIMLQYEKHNQIC-QGZVFWFLSA-N 441.969 5.164 30 20 IKED C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511356737 XDFWXNRRSIDTMO-QGZVFWFLSA-N 435.474 5.835 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)c2cccc(COc3ccccc3C#N)c2)c(OC)c1 513141783 VAPXHEGVOGJJRW-DEOSSOPVSA-N 442.515 5.132 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 513533266 QHTYGQPUQQZKSR-OAQYLSRUSA-N 428.454 5.332 30 20 IKED COc1cc(CN(C)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc(OC)c1 516336430 OSZQQHIXMYUWNZ-SFHVURJKSA-N 429.520 5.145 30 20 IKED C=CCn1c(SCc2ccc(OCc3cccnc3)cc2)nnc1-c1ccccc1OC 518523958 ZVHPGJQXMPWMJX-UHFFFAOYSA-N 444.560 5.406 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)Cc3csc(Cc4ccc(F)cc4)n3)c2C#N)C1 519957008 MLXPJBXHGSBGBX-ZDUSSCGKSA-N 425.554 5.112 30 20 IKED CCN(Cc1nc(O)c2ccccc2n1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 519987629 JQLZJCWVBWZZSW-UHFFFAOYSA-N 439.475 5.053 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 523955498 STROXOCZHAGQTL-UHFFFAOYSA-N 434.455 5.526 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1-c1ccccn1 534353944 UGHIOTASAIXUTK-HXUWFJFHSA-N 425.513 5.679 30 20 IKED C=CCCOCCCCC(=O)N1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 537193531 NYCDBCPYJPLFOC-UHFFFAOYSA-N 439.531 5.117 30 20 IKED COc1cc(CN[C@H](C)c2ncc(-c3ccccc3)o2)ccc1OCc1cccc(C#N)c1 542573586 QLOGLFSZNJZYBX-LJQANCHMSA-N 439.515 5.652 30 20 IKED COc1ccc(CNc2ncc(Cc3ccc(F)c(F)c3)s2)cc1OCCCC#N 542753933 PMJZWVJJOQSXAH-UHFFFAOYSA-N 429.492 5.315 30 20 IKED C[C@@H]1COc2ccccc2CN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 542944575 AQUMNNIPPNEEOS-LJQANCHMSA-N 427.504 5.147 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)c1 554187870 SAGQDJSNUGTJMA-UHFFFAOYSA-N 428.414 5.192 30 20 IKED CC[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(OC)c(OC)c1 562109898 UPFAPWLFWPXJOC-NRFANRHFSA-N 432.480 5.036 30 20 IKED CC1(C)CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@@H]1c1cccs1 562146945 INRUKEORYMDOAH-JOCHJYFZSA-N 435.524 5.953 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 566754701 KEUQLVXUNPUPOR-OAQYLSRUSA-N 429.564 5.403 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 571907319 DRWLFSVGVQNMNF-OAQYLSRUSA-N 447.583 5.287 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)CC1 578212178 ZAQMAMSJRZXPIH-FGZHOGPDSA-N 436.987 5.418 30 20 IKED C[C@H](Oc1ccccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(F)(F)F 578570792 GINKKVOFLLZMFR-AWEZNQCLSA-N 430.382 5.312 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)CCN(C)[C@H](C)c3nc4ccccc4s3)c2C#N)C1 581386794 NRYWJAIPBDPXCL-LSDHHAIUSA-N 438.622 5.376 30 20 IKED Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)cc12 592974237 PTEAGHBEFLVPPY-KRWDZBQOSA-N 446.532 5.693 30 20 IKED C=CCOc1ccccc1C(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 597827917 YYKWPEGMCMSDPH-UHFFFAOYSA-N 427.504 5.094 30 20 IKED CC(C)CN(C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C)c1ccc(C#N)cc1 603529845 MQQSFUAEEYZJFT-UHFFFAOYSA-N 427.508 5.447 30 20 IKED C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)c1ccc(NC(=O)Nc2ccccc2)cc1 603900421 ISIZVTMAFKAEBU-GOSISDBHSA-N 444.560 5.313 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C3(c4cccc(Cl)c4)CCOCC3)cc2)cc1 604457740 XGKWLTSCSFNINJ-UHFFFAOYSA-N 432.907 5.691 30 20 IKED C=CCn1c(SCc2cc(C)nc3ccccc23)nnc1[C@H]1COc2ccccc2O1 605076173 OHGCCNILXBSABB-JOCHJYFZSA-N 430.533 5.126 30 20 IKED N#CCC[C@H](C#N)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCCC3 608845954 LALZMANBIDXFLO-MRXNPFEDSA-N 434.590 5.252 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 608918440 LHOGZMWPORNDJY-FVQHAEBGSA-N 435.412 5.388 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1ccc(OC(F)(F)F)cc1 608937116 BZMWEHMWTYVVET-UHFFFAOYSA-N 441.409 5.524 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H]1CCN(c2ccccc2)C1 609079279 TYZJEBACMUXNFW-QHCPKHFHSA-N 440.547 5.094 30 20 IKED CC(C)c1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)nn1C(C)(C)C 609104434 FPZQCMHOBDMFGJ-UHFFFAOYSA-N 434.515 5.604 30 20 IKED CC(C)n1ncc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cnc21 609378590 XPERBLSNIDAOAL-UHFFFAOYSA-N 433.459 5.289 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 609428269 IAYYYKNPIGPYCN-SFHVURJKSA-N 427.529 5.784 30 20 IKED CN(Cc1ccc(Br)s1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 609497393 OUQCGSXFJKNPAX-UHFFFAOYSA-N 441.350 5.641 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N(Cc3ccccn3)c3ccc(Cl)cc3)cc2)nc1 609504410 PJAQWMSKXRNQMF-UHFFFAOYSA-N 440.890 5.641 30 20 IKED COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)NC[C@@H](C)C#N)cc1OC 609525533 NXFGAVPNYJMUGF-AMRJIULGSA-N 441.531 5.018 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2(c3nccs3)CCCC2)cc1Cl 609711665 JUOXATBOVZLPDZ-LJQANCHMSA-N 436.968 6.043 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)c2)cc1 609986421 SPOHBLNBKRUIMG-NRFANRHFSA-N 431.293 5.059 30 20 IKED C[C@@H](Sc1nnc(-c2cccc3ccccc23)o1)C(=O)N(CCC#N)c1ccc(F)cc1 610166596 SUCSAAZHOCHXAV-MRXNPFEDSA-N 446.507 5.456 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 611492435 REZSKHBCSXZFRB-AWEZNQCLSA-N 443.473 5.084 30 20 IKED COc1ccc(-c2nnc(CSc3nc4c(c(-c5ccco5)c3C#N)CCC4)o2)cc1 612774478 HKJYDZBOJSPYFZ-UHFFFAOYSA-N 430.489 5.053 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3C[C@@H]3c3ccccc3OC(F)F)cn2)cc1 619555446 XINDIAJXBBJUSA-MOPGFXCFSA-N 436.418 5.025 30 20 IKED CCOc1ccc(C(=O)CCC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 642374184 MSQLIKXXUGOEHL-UHFFFAOYSA-N 428.488 5.138 30 20 IKED O=C(Nc1ccc(OC(F)(F)F)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642393740 PXSBAWPCUOJWAD-JZYVYDRUSA-N 438.290 5.616 30 20 IKED O=C(NCCCCOc1ccc(F)cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642671898 VAYLNBULGFMFOL-CHWSQXEVSA-N 444.391 5.193 30 20 IKED O=C(c1cc2ccccc2cc1OC(F)F)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 677767695 NAHGYTLMNHIGJZ-BETUJISGSA-N 427.291 5.254 30 20 IKED O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)N1CCO[C@H](c2ccc(F)cc2F)C1 681772138 YTLUGKQXCLHMCN-INIZCTEOSA-N 436.327 5.224 30 20 IKED O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NCc1c(F)cc(F)c(F)c1F 684669269 WXWGSUPQGQTRHU-UHFFFAOYSA-N 448.363 5.244 30 20 IKED CC(C)(CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1Cl 728146673 KOXYROCOHTXQFP-OAQYLSRUSA-N 445.950 5.028 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cc1 728269656 TWFUWTHFFCFDQW-UHFFFAOYSA-N 438.531 5.032 30 20 IKED CC(C)c1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)c1ccc(C(F)(F)F)nc1O 731562811 GTKFKUMTTOBCPM-CSKARUKUSA-N 435.833 5.665 30 20 IKED O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc(C(F)(F)F)nc1O 731564692 PBSYXKNOFSPMGF-ACCUITESSA-N 449.432 5.614 30 20 IKED CCN1C/C(=C\c2coc(-c3ccccc3)n2)C(=O)/C(=C/c2coc(-c3ccccc3)n2)C1 731835905 VINCYEYDHKNWPC-JFMUQQRKSA-N 437.499 5.368 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CSc3c(Cl)cccc3C2=O)cs1 731939306 MHUABEPTWVAPIJ-UKTHLTGXSA-N 444.940 5.992 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cccc(COc3ccccc3)c2)ccc1OC 733626038 CFEWPEWZVJKLIG-QFIPXVFZSA-N 445.519 5.277 30 20 IKED C[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1ccc(N2CCCC2)cc1 733903212 OKKLSZURZUGNPL-GOSISDBHSA-N 428.561 5.340 30 20 IKED N#CCOc1ccc(Cl)cc1CSCc1nc(-c2cccc(C(F)(F)F)c2)no1 735318313 KHXDRKBCHSECEP-UHFFFAOYSA-N 439.846 5.745 30 20 IKED C[C@H](C#N)Oc1ccc(CNC[C@@H]2CCCN(C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 735508715 MDAPJVUKVAMMLQ-MONBJTKQSA-N 431.502 5.169 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](C)c2cccc(Cl)c2Cl)ccc1OC 735581581 QBCHEWQFAOZTNB-UKRRQHHQSA-N 436.339 5.243 30 20 IKED C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 739159199 IAELBXCUFYQKMR-IFXJQAMLSA-N 439.462 5.756 30 20 IKED Cc1cc(CSc2ccccc2C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)on1 739594752 PZDPCDLWHCMNRX-UHFFFAOYSA-N 445.569 5.806 30 20 IKED N#Cc1ccc(NC(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc1C(F)(F)F 743216646 YXAYFDNAKYLEEM-LJQANCHMSA-N 437.849 5.208 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCC(OCC4CCCCC4)CC3)c2)s1 743626670 ZSWUMGBYXNMTFE-UHFFFAOYSA-N 437.609 5.558 30 20 IKED CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2ccc(C#N)o2)NC(=S)N1c1cccc(C)c1 743738805 FHXDDNGPTVMULO-QHCPKHFHSA-N 442.544 5.117 30 20 IKED CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C#N)o2)NC(=S)N1c1cccc(Cl)c1 743742960 QDERTFOMUADPQU-NRFANRHFSA-N 448.935 5.153 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)n1 747197650 LHNAWZLVWGJEJW-SUMDDJOVSA-N 427.570 5.345 30 20 IKED Cc1c(C(=O)/C=C\c2cc3cnn(C(C)C)c3nc2Cl)nnn1-c1ccc(Cl)cc1 747614572 IGXWKLQXYZAPRU-WTKPLQERSA-N 441.322 5.104 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Nc2cccc(NC(=O)C3CCCCC3)c2)cc1 749888470 RMPJKYZQOSWYQA-FQEVSTJZSA-N 432.568 5.261 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2nccn2CCc2ccccc2)cc1 751543345 MVMJVBPZVLOYLR-RUZDIDTESA-N 435.531 5.103 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cncc(-c2ccc(Cl)cc2)c1 757875625 RIAOJXMEUZMOEK-QGZVFWFLSA-N 444.705 5.670 30 20 IKED C#CCN1C(=O)/C(=C/c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)SC1=S 759035243 ITZWQBBKAHGMDR-YVLHZVERSA-N 447.368 5.080 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4ccc(F)cc4OCC#N)cc3)o2)cc1 760971354 QNGUGQKDRJQDNZ-UHFFFAOYSA-N 428.423 5.006 30 20 IKED COC(=O)Nc1cc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc(C(F)(F)F)c1 763366538 QXBNLNDGRYQJSW-AWEZNQCLSA-N 446.212 5.185 30 20 IKED N#Cc1cc(NC(=O)c2ccc3cc(Br)ccc3c2)c(Cl)c([N+](=O)[O-])c1 764303732 PMSOUIDSBZXXHQ-UHFFFAOYSA-N 430.645 5.288 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2SC(F)F)nnc1-c1cccs1 765336645 LUYLYFBEPGXUFY-UHFFFAOYSA-N 438.550 5.238 30 20 IKED N#CCCCn1cc(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)c2ccccc21 769543375 FOZXPSXNQFQOIQ-UHFFFAOYSA-N 430.291 5.047 30 20 IKED C=CC[C@H](NC(=O)N(Cc1ccc(OC)c(OC)c1)[C@H]1CCCC[C@H]1C)c1ccncc1 772497974 XCWVPXGIMRYFKP-OIBXWCBGSA-N 437.584 5.507 30 20 IKED N#C[C@@H](COC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)Cc1cccs1 772738202 VZPCKAWYFUTVTO-ZDUSSCGKSA-N 430.938 5.255 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Sc3ccccc3C)cc2)cc1OC 772972804 XKYUMWKUDOTAQZ-FQEVSTJZSA-N 446.528 5.125 30 20 IKED COc1ccc([C@H](Cc2ccccc2C)N[C@@H](C)c2ccc(OCC#N)cc2)cc1OC 776161421 WJBDXYBVWODDAM-CPJSRVTESA-N 430.548 5.549 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(-n2cnc3ccccc32)cc1 778296715 CBIMZXNWNYXYPJ-JOCHJYFZSA-N 436.515 5.111 30 20 IKED N#Cc1cc(Cl)c(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c(Cl)c1 778437620 YUWXRJNQXOHPEQ-NSHDSACASA-N 429.134 5.181 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@H](c2ccc(Br)cc2)[C@H]2CCCO2)c1 779103184 AKDHOYVDSONMMS-CEMLEFRQSA-N 429.358 5.140 30 20 IKED COc1ccc2cccc(CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c2c1 780467042 ZDSVJRQGWDJNBQ-UHFFFAOYSA-N 430.291 5.105 30 20 IKED C[C@@H](NC(=O)[C@H](C#N)C(=O)Cc1ccccc1C(F)(F)F)c1ccc(Cl)cc1Cl 787048431 GSHCLICVHPGTBG-IAQYHMDHSA-N 443.252 5.141 30 20 IKED C/C(=C/C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(C(F)(F)F)c1 787351916 IOMPFIWVSSDJNC-SSZFMOIBSA-N 441.453 5.330 30 20 IKED COc1cc(C(=O)/C=C/c2cnc(-c3ccccc3OC)nc2)ccc1SC(F)F 792887202 YSBFIKQDNNDRMR-VQHVLOKHSA-N 428.460 5.372 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CC2)c1 796813764 ZNIDUBOMCQVUNJ-HNNXBMFYSA-N 429.398 5.234 30 20 IKED Cc1ccc(N2CCOCC2)cc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 797597496 LYWTUNVCQQQSLW-UHFFFAOYSA-N 429.545 5.107 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(COC(=O)c2cc(C#N)ccc2Cl)cs1 803834233 VYRIINQZCLVCIO-UHFFFAOYSA-N 446.315 5.363 30 20 IKED C[C@H](Cc1cncc2ccccc12)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 805856583 YONRUGPTHUCPDY-ACJLOTCBSA-N 426.303 5.068 30 20 IKED N#CC1(OCCOC(=O)c2ccc(Oc3ccc(Cl)cc3Cl)cc2)CCOCC1 809079827 CDACBTWDIINKRR-UHFFFAOYSA-N 436.291 5.032 30 20 IKED CC(C)(C)OC(=O)NCCC[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1 810195491 MINCZCHVUMERIT-IBGZPJMESA-N 442.947 5.379 30 20 IKED C[C@@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccc(NC(=O)c2ccccc2)cc1 815929059 ZFTCECJXLPXHHK-CQSZACIVSA-N 439.393 5.142 30 20 IKED CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2cccc(C#N)c2)NC(=O)N1Cc1cccs1 840197689 WUQUJWYSZZVWQT-QHCPKHFHSA-N 442.544 5.107 30 20 IKED Cc1cc(CSc2ccccc2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)on1 915085086 FULZVGREKNCASZ-XMMPIXPASA-N 439.540 6.183 30 20 IKED COc1ccc(/C=C/C(=O)C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 916845327 SPXOSCVDZCWBRV-NTCAYCPXSA-N 442.565 6.329 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 916903475 OPTCGVRFZQIETK-FYEXEBAFSA-N 446.547 6.040 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)CCC(=O)c2ccc3ccccc3c2)cc1 916912475 AMOPVDHEUNCURT-XMMPIXPASA-N 426.516 5.493 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(-c2ccc(F)cc2)s1 916927337 HNJOWCSBHDNEPA-CQSZACIVSA-N 433.291 5.822 30 20 IKED COc1ccc(COCC(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 917033027 ZLFCHYVMXMANLU-SKLOBRBISA-N 436.577 5.013 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)s1 917044510 SYDOAQDYOAJBGH-GFCCVEGCSA-N 429.979 5.862 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@H]2c2ccccc2Cl)c1=S 917484147 XOXGNSGBDVNQSP-HXUWFJFHSA-N 441.000 5.724 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)cc1 918035898 NEZMFCVOCOMUCF-SANMLTNESA-N 437.543 5.777 30 20 IKED C[C@@H](OC(=O)c1cc(F)c(F)c(F)c1F)c1nc(-c2cccc(C(F)(F)F)c2)no1 919221407 LPHKBSUJJFQIMH-SSDOTTSWSA-N 434.267 5.230 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1 919868028 KQWVQMDETXJXIJ-UHFFFAOYSA-N 448.526 5.363 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2Cc2ccccc2Cl)cc1 919904668 RQCBGTLLUKKCRL-BJKOFHAPSA-N 429.951 6.234 30 20 IKED COc1ccc(OCc2nc(/C=C\C(=O)c3ccc(OCC(F)(F)F)cc3)cs2)cc1 920481186 XETXMGQTVCLQAN-WCIBSUBMSA-N 449.450 5.568 30 20 IKED O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(N2CCOC2=O)cc1 920749782 QFCJUTWGRMKJLC-RAXLEYEMSA-N 441.512 5.454 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(N2CCOCC2)cc1 920873269 SBPMOWPLGWXNCI-LJQANCHMSA-N 442.519 5.070 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)c2ccc3nc(O)oc3c2)cc1 1310238278 SZVYWJIDCVSHQQ-CQSZACIVSA-N 444.447 5.089 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(Cl)c3C)cc2)CCC1 1785950732 AEQZPOGOSUJFJR-KRWDZBQOSA-N 441.959 5.197 30 20 IKED CC(F)(F)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1786454702 CLLGZJAUIOLGLH-UHFFFAOYSA-N 439.506 5.182 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)CCC1 1790281579 LIHZCVKORALTIT-UHFFFAOYSA-N 428.454 5.257 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)ccc4OCC)cc3)CCC2)C1 1790691506 HSGLCCYTXOFXDA-UHFFFAOYSA-N 438.955 5.453 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)n4cccc4)cc3)CCC2)c1 1791792285 WQLDCMHGWHTUPC-VQTJNVASSA-N 440.547 5.124 30 20 IKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C3CC3)cc1)C2)c1ccccc1 1798556719 CBGWCQFFDDLXNZ-XUJYPJAKSA-N 440.587 5.013 30 20 IKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cc5c(Cl)cccc5s4)CC3)C2)C1 1804780599 JMQSVGKXWZAPEW-UHFFFAOYSA-N 443.012 5.366 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ncccc23)[nH]n1 1814443140 NRKFDHNAKIRDGP-JOCHJYFZSA-N 445.567 5.256 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3occc3c2)n[nH]1 1818706235 KVHVZUXUIOBWNK-FQEVSTJZSA-N 434.540 5.454 30 20 IKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(Cc3cccc(F)c3)c2)n[nH]1 1823341181 KGLBHFVEVKGIDM-QHCPKHFHSA-N 446.526 5.022 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C2CCCCC2)CC1 1828827557 PAEVVFWEFPFODA-AWRZONTFSA-N 426.645 5.511 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2onc3ccccc23)CC1 1829068752 OWIBCIFMFPMSGU-JOCHJYFZSA-N 437.584 5.054 30 20 IKED CC(C)c1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1 1830057740 SUOIHLWHDNKWKV-SANMLTNESA-N 443.591 5.229 30 20 IKED C=CCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccc(C)cc1 2450385 WPQZVHUBEVWBPZ-UHFFFAOYSA-N 433.364 5.477 30 20 IKED Cc1cccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(C(C)(C)C)cc2)c1 10167377 XOKQXGWQEAMBGD-UHFFFAOYSA-O 431.625 6.248 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc3c(c2)CCCC3)cc1 10173176 MRNCHOYCGQSBJR-UHFFFAOYSA-O 437.535 5.490 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10754156 GBDWFYGTMBLFAN-UHFFFAOYSA-O 448.370 6.033 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(C)c(C)c1)[n+]1ccc(N(C)C)cc1 14871877 RSLLAOIIYSCCHQ-UHFFFAOYSA-O 432.613 5.270 30 20 IKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1c(C)cc(C)cc1Cl 33152080 AJYAXEHFEAYSAZ-UHFFFAOYSA-N 437.721 5.007 30 20 IKED Cc1nc(SCC(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)c(C#N)c(C)c1C 116906442 GIFYGUYKXOJRKA-UHFFFAOYSA-N 443.878 5.204 30 20 IKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)cc(-c3ccccc3)nc21 195556840 HVTDDRIOPYVAPH-LJQANCHMSA-N 434.503 5.056 30 20 IKED COc1ccccc1Oc1ccc(CNCc2cn(CCC#N)nc2-c2ccccc2)cc1 237170583 ZNLBEEGWAZQATH-UHFFFAOYSA-N 438.531 5.554 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3sccc3C#N)n2)o1 303588428 LVKQUOFPXVSOQM-UHFFFAOYSA-N 448.451 5.204 30 20 IKED CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1cccc(F)c1C#N 428382991 QKRJXCKOBUYXCG-UHFFFAOYSA-N 427.829 5.219 30 20 IKED CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)c1 428786811 IWELAKFZBGTGMW-UHFFFAOYSA-N 435.915 5.108 30 20 IKED CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)c1cccc(SCC#N)c1 430690883 FSOMZBFDCGSSDG-UHFFFAOYSA-N 432.545 5.032 30 20 IKED C=CCC[C@H](NC(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1)c1ccc(C(F)(F)F)cc1 430887337 DQENMKQFGADKPF-MBXLBGHASA-N 440.506 5.081 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@H](c4ccc(F)cc4)C3)cc2F)c1 432080280 VJCKRZUVQQLKDU-FQEVSTJZSA-N 433.458 5.437 30 20 IKED Cc1cnc(C2CCN(C(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)CC2)s1 432470722 UWXHYWZRMKOXBI-UHFFFAOYSA-N 437.952 5.789 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@H](C(F)(F)F)OC(C)(C)C1 432767313 KGNOPIBYVQOPMD-IBGZPJMESA-N 433.430 5.233 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 433858935 MJFQCZJQVKZZDW-UHFFFAOYSA-N 437.459 5.234 30 20 IKED C=CCC[C@@H](NC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1)c1ccccc1 435759427 HUHYHLIBXMVFHJ-YADARESESA-N 428.536 5.402 30 20 IKED C=C(C)Cn1c(SCc2nc(-c3ccc(O)c4ccccc34)no2)nnc1-c1ccco1 436612652 NGPUUVBPJNHMES-UHFFFAOYSA-N 445.504 5.315 30 20 IKED COc1cccc(F)c1[C@@H](C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 437968000 BOMYEJUNEJRHFX-QGZVFWFLSA-N 433.483 5.476 30 20 IKED COc1ccccc1C[C@@H](C)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 437972528 BWYOCXQQGDXFOA-HXUWFJFHSA-N 443.547 5.549 30 20 IKED Cc1cc(C#N)ccc1C(=O)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C 439074597 YISKMTXTJBJLLJ-UHFFFAOYSA-N 437.849 5.028 30 20 IKED Cc1cc(NC(=O)N[C@@H](CCC#N)c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 439113635 CEBVFXUXAWCFRC-IBGZPJMESA-N 427.430 5.366 30 20 IKED CCSCc1cccc(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 439398884 SJWOLIHWUBFTKY-UHFFFAOYSA-N 431.517 5.181 30 20 IKED CCCc1c(NC(=O)N(C)[C@@H]2CCCc3nc(C)sc32)cnn1-c1cccc(C#N)c1 439679006 FLMQDZOEFOBESQ-OAQYLSRUSA-N 434.569 5.003 30 20 IKED C=CCN(C(=O)C[C@H](C)c1cccc(OC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 439775696 RGJMNONMQGMHEC-INIZCTEOSA-N 437.521 5.440 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)Nc1csc2ccccc12 440494211 ZTBSDRPMYVHDKC-UHFFFAOYSA-N 449.479 5.503 30 20 IKED C=CCC[C@@H](NC(=O)Cc1csc(NC(=O)C(C)C)n1)c1ccc(C(F)(F)F)cc1 441541818 NTMODJPOGDDICY-QGZVFWFLSA-N 439.503 5.123 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccnc(-c2ccc(Br)cc2)n1 441913216 XGHMJIQWMMAQPZ-VXKWHMMOSA-N 433.353 5.178 30 20 IKED C=CCn1c(S[C@H](C)c2nc(Cc3ccc(F)cc3)no2)nnc1-c1ccc(F)cc1 445591539 FXYIJJKZZLJRMA-CQSZACIVSA-N 439.491 5.236 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 462256200 LHMPQBOIZDPEET-PXDATVDWSA-N 427.504 5.701 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1 469401948 NCZDHPYPKDKDFK-UHFFFAOYSA-N 425.847 5.601 30 20 IKED CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 470608737 ANTGMFYZIUPVNY-GOSISDBHSA-N 430.430 5.005 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 475581512 GJHFYMQUIYWQPK-OAQYLSRUSA-N 432.486 6.163 30 20 IKED CCO[C@@H](C)c1nc(CN(C)c2c(C#N)cnc3c(Br)c(C)ccc23)cs1 480054994 ALRCEKJQCQNQLI-ZDUSSCGKSA-N 445.386 5.368 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1noc(-c2ccccc2C)n1 481357998 JDTKXFVVMWWNIM-UHFFFAOYSA-N 433.537 5.002 30 20 IKED CCc1c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cnn1-c1ccc(Cl)cc1 482753688 HXPVHFVEKWTPCD-UHFFFAOYSA-N 446.894 5.384 30 20 IKED CCCCn1ncc(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1C(C)C 484260801 MUXKSIKSJJZVTK-UHFFFAOYSA-N 445.523 5.048 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1 485248631 VNFIBYWYDRXCOK-KRWDZBQOSA-N 438.494 5.254 30 20 IKED Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 487831129 BPOLPXPUWVWZSD-HSZRJFAPSA-N 445.523 5.198 30 20 IKED C=C(C)Cn1c(S[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1ccncc1 489452942 XXRSNOWFSYLPMV-QGZVFWFLSA-N 432.553 5.436 30 20 IKED CCn1c(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)nc2cc(C#N)ccc21 490768418 KGSUWOAAXQPFJW-UHFFFAOYSA-N 440.290 5.450 30 20 IKED CCn1c(NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)nc2cc(C#N)ccc21 490790194 DSTTWISSZDOUDV-UHFFFAOYSA-N 429.427 5.117 30 20 IKED CCOc1cc(C#N)ccc1OCc1csc(N(C(C)=O)c2cccc(Cl)c2)n1 498071150 JWWNOKYJQQYWCZ-UHFFFAOYSA-N 427.913 5.330 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 502619073 LPUKHYPFPILGKH-DEOSSOPVSA-N 443.503 5.861 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc([C@H]4CCCOC4)cc3)cc2F)c1 503033202 PHAPVDAEPOJJKI-QFIPXVFZSA-N 430.479 5.423 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 503611678 PGWAVFMUTLJMMP-UHFFFAOYSA-N 434.499 5.852 30 20 IKED N#Cc1cccc(C2(NC(=O)N[C@H](c3cccc(C(F)(F)F)c3)C3CCOCC3)CC2)c1 505386160 GXGSZNQAAIKNMM-NRFANRHFSA-N 443.469 5.033 30 20 IKED N#C[C@@H](NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)c1c(Cl)cccc1Cl 505513187 MNZGKDSUEIWMKJ-OAHLLOKOSA-N 435.698 5.010 30 20 IKED N#C[C@H](NC(=O)c1ccccc1Sc1ccc(Br)cn1)c1ccccc1F 505922642 JVIUENRYIXSGHO-KRWDZBQOSA-N 442.313 5.129 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H](C#N)c1cccc(Br)c1 506512807 VYSLTXLVEGAEIA-HNNXBMFYSA-N 448.679 5.200 30 20 IKED CC(C)[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccc(F)cc1 506802851 CJWOHFMENZMPAG-QHCPKHFHSA-N 449.457 5.081 30 20 IKED C=C(C)CN(CC)C(=O)[C@@H](C)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 507507946 HWLBKXMXPQMGOJ-MRXNPFEDSA-N 433.474 5.183 30 20 IKED CCN(Cc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1)C1CC1 508974555 DLGBLVXJULHSCI-UHFFFAOYSA-N 439.559 5.568 30 20 IKED C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)N(CCC#N)c1ccc(F)cc1 510203049 GMVOQUACHUNIFM-KRWDZBQOSA-N 430.508 5.187 30 20 IKED Cc1ccc([C@H](NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C2CC2)cc1 510244160 SNLBRTFDXBSBAN-IBGZPJMESA-N 435.578 5.283 30 20 IKED N#CCc1ccc(NC(=O)N(Cc2ccc(-c3ccccc3C(F)(F)F)o2)C2CC2)cc1 510459575 UDXZAIKOEIYVGY-UHFFFAOYSA-N 439.437 6.228 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cn(C)nc1-c1cccs1 510567469 BBFQKIYLDULCPZ-UHFFFAOYSA-N 428.517 5.160 30 20 IKED Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)C(=O)NCC(C)(C)CCC#N)cc2)c1 510964203 WGJJGTYTPWZSPP-UHFFFAOYSA-N 435.568 5.082 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@]12CCC(=O)N1c1ccccc1S2 511561054 HHJKKROWQYJKIZ-VWLOTQADSA-N 441.512 5.227 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)[C@@H](C)CC)nnc1-c1ccc(Cl)cc1Cl 512135298 HXYMDLWUAIKBSO-STQMWFEESA-N 427.401 5.081 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1 512921711 CNNMPMKQDVOHCA-AZUAARDMSA-N 448.567 5.134 30 20 IKED CC(C)N(Cc1cccc(F)c1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 513987918 RJHUFTPUURDDJW-UHFFFAOYSA-N 431.511 5.913 30 20 IKED CC(C)NC(=O)Nc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 515577739 LMYBVXKNOIHIGO-UHFFFAOYSA-N 442.519 5.114 30 20 IKED Cc1ccc(Sc2ccc(NC(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2)c(C)c1 518183318 MZMWKFIDYPFXKP-UHFFFAOYSA-N 443.576 5.075 30 20 IKED CCc1ccc2c(c1)[C@@H](CCNC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)N2 518357536 WLIYRJOKWXBPLJ-LJQANCHMSA-N 441.556 5.128 30 20 IKED CC(C)c1nc(C(=O)Nc2ccccc2S[C@H](C)CC#N)nn1-c1ccccc1Cl 518738974 IQSLQKITMYIWDY-OAHLLOKOSA-N 439.972 5.691 30 20 IKED COc1cc(CSCC(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1SC 518818554 FVWACHXULIJMOF-OAHLLOKOSA-N 432.636 5.541 30 20 IKED CC(C)COC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 521455177 WQXXFKQGEPSJAK-UHFFFAOYSA-N 427.932 5.673 30 20 IKED COc1cc([C@H](C)NC(=O)c2occc2COc2cccc(C#N)c2)ccc1OCC(C)C 522472399 PPHCWPCAZAPBAR-SFHVURJKSA-N 448.519 5.265 30 20 IKED Cc1cc(NC(=O)c2occc2COc2cccc(C#N)c2)ccc1NC(=O)c1ccco1 522531204 ARLPQUMQNJHNFK-UHFFFAOYSA-N 441.443 5.136 30 20 IKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)CCc1c(C)nn(CCC#N)c1C 524413741 RZMQZTHAEHWITL-NRFANRHFSA-N 430.552 5.433 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(Cl)c(OCCOC)c(Cl)c1 539132022 ZYUVGRANDASOQD-UHFFFAOYSA-N 434.323 5.110 30 20 IKED N#C[C@@H](C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1)c1nc2ccccc2s1 540083178 XMBTWQGWAUEHTQ-ZDUSSCGKSA-N 427.407 5.276 30 20 IKED Cc1nc(-c2ccc([C@@H](C)N[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)cc2)cs1 540381842 XPIJILBQVIPXCB-ZIAGYGMSSA-N 436.606 5.218 30 20 IKED COCC[C@H](Cc1ccco1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 541420301 RTTMREVHXHVWSA-DENIHFKCSA-N 437.927 5.358 30 20 IKED COCC[C@@H](Cc1ccco1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 541420308 RTTMREVHXHVWSA-SIKLNZKXSA-N 437.927 5.358 30 20 IKED CCN(C(=O)Cn1cc(C#N)c(=O)c2cc(C)cc(Cl)c21)c1cccc2ccccc12 548952054 CLRAODPJYBBSHQ-UHFFFAOYSA-N 429.907 5.041 30 20 IKED N#CC1(N(C(=O)c2cc3cc(Br)cc(Br)c3o2)C2CC2)CCC1 551656027 MLLVXABKNSQTOM-UHFFFAOYSA-N 438.119 5.009 30 20 IKED CN(CCC(=O)Nc1sccc1C#N)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 551713725 JXLUEODCHTYARL-UHFFFAOYSA-N 435.393 5.118 30 20 IKED C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 554147271 URZVZWCSELBFNP-UZLBHIALSA-N 449.605 5.707 30 20 IKED C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H](CC(F)(F)F)C1 555272927 UAARTBRUAFRRIF-INIZCTEOSA-N 438.494 5.096 30 20 IKED C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(-n2cccn2)c(F)c1 555619398 MAZBHJSLDURHGS-IBGZPJMESA-N 426.495 5.313 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(F)c(Cl)cc1N1CCOCC1 566554323 UORSTUQQZPYTPS-UHFFFAOYSA-N 444.359 5.251 30 20 IKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nnn1CC1CCCC1 566836355 YDKGUCDWKOSCOH-NRFANRHFSA-N 433.943 5.338 30 20 IKED CC(C)c1ccccc1N(C(=O)Cc1c(F)cccc1C#N)c1nc2ccccc2s1 569403706 PRQYWJSIQOWSBL-UHFFFAOYSA-N 429.520 6.338 30 20 IKED C=CCC[C@H](NC(=O)C(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1)c1ccccc1 579276283 KBBMNOZMXKSIAM-SANMLTNESA-N 439.559 5.063 30 20 IKED COc1cc(CNCc2cc(F)c(C(F)(F)F)cc2F)ccc1OCC(F)(F)F 581273421 HXGFUHIOULGCPA-UHFFFAOYSA-N 429.307 5.223 30 20 IKED N#Cc1cccc(C2(NC(=O)CCc3ncc(-c4ccc(Cl)cc4Cl)o3)CC2)c1 582982399 RMPXURDSLKCEAL-UHFFFAOYSA-N 426.303 5.258 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1nc(-c2ccccc2)cs1 584083239 IHOHHSSZUSLCLJ-INIZCTEOSA-N 441.516 5.752 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H](C4CC4)C3)s2)c(C(F)(F)F)c1 589007203 VQLZGBWBKYICEB-MRXNPFEDSA-N 434.487 5.278 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 592974757 YSUXXNZGJKKMFE-AWEZNQCLSA-N 427.913 6.011 30 20 IKED C=CCN(C(=O)c1cc(C)n(-c2ccccc2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603728580 CYFLZXVABLDUJV-UHFFFAOYSA-N 445.504 5.045 30 20 IKED CC(C)Oc1ccc(CCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 603831524 DFAVILOGPYUTSP-UHFFFAOYSA-N 443.547 5.483 30 20 IKED Cc1nc(CSc2ccc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)cc2)cs1 603969035 WZONEMSAJKJWJW-UHFFFAOYSA-N 447.610 6.596 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)CCCC(=O)N4)cc2Cl)cc1 604027070 BLBMRNADABEOQD-UHFFFAOYSA-N 431.879 5.531 30 20 IKED CCCOc1c(Br)cc(C(=O)Nc2sc(C)c(CC)c2C#N)cc1OC 609032711 CYFRLAAWHYAJCN-UHFFFAOYSA-N 437.359 5.303 30 20 IKED COc1cccc(CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1OC 609062103 XQWIPYONEPTVNK-UHFFFAOYSA-N 430.504 5.034 30 20 IKED Cc1cccc(NC(=O)NCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 609164582 RDADDSVHJNSSEY-OAQYLSRUSA-N 432.911 5.064 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1cccc(OC(F)F)c1 609378335 FCLSBLIETAOFIV-UHFFFAOYSA-N 430.398 5.494 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H](C)c1ccc(C(F)(F)F)cc1 609385246 IXBJLPDPUDIPEZ-HZPDHXFCSA-N 435.515 5.589 30 20 IKED COc1ccc(-c2nc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)cs2)cc1OC 609463524 BSFGFJNCHFVVSE-OAHLLOKOSA-N 448.331 5.129 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3csc(-c4ccccc4)n3)cn2)cc1 609681812 BCWVODQAARHTTC-UHFFFAOYSA-N 427.489 5.191 30 20 IKED COCCCOc1ccccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 609725321 YSHDCWIHNMHMHK-UHFFFAOYSA-N 436.895 5.672 30 20 IKED C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 609845227 FPHULTVUQOTPEU-IFMALSPDSA-N 432.568 5.469 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1)C1CC1 609863873 UUENGOTYVRHTLS-UHFFFAOYSA-N 443.478 5.253 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCC[C@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)c1 609881179 ZCHLRSVWUVVMIB-QHCPKHFHSA-N 448.954 5.515 30 20 IKED CN1CCC[C@H](CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@@H]1c1cccs1 610180521 DTHSVGVSIVJRFG-RCZVLFRGSA-N 445.588 5.012 30 20 IKED C[C@H](NC(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1)c1cccc(C#N)c1 610347299 MZGBNOLQMVJPBQ-NRFANRHFSA-N 438.575 5.381 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4ccccn4)CC3)cc2Cl)cc1 611094761 XSPAMDKPEPCVAZ-UHFFFAOYSA-N 432.911 5.810 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(C3CC3)cc2)c1 611331513 MILNTOGEVHMRKP-UHFFFAOYSA-N 427.529 5.419 30 20 IKED N#Cc1ccc(NC(=O)C(=O)Nc2cccc(Sc3ccccc3)c2)cc1C(F)(F)F 615298388 WGELFKXHWQTQPJ-UHFFFAOYSA-N 441.434 5.305 30 20 IKED C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618453916 VNRMONWQOUNOAP-MXWKQRLJSA-N 436.318 5.095 30 20 IKED Cc1ccc(F)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1Br 618638904 YICGFCSGNVIBKI-UHFFFAOYSA-N 426.245 5.208 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)cc1 619046281 BOPITVYRFWJWHV-UHFFFAOYSA-N 442.471 5.113 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 642157837 LCKJUYRFAVWWCB-QPKSUZNQSA-N 447.341 5.835 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2ccc(OC(F)F)cc2)nnc1-c1ccccc1F 645077392 UMWSEEQHTHJETI-CYBMUJFWSA-N 433.455 5.235 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N2CCC(c3ccc(F)c(F)c3)CC2)c1C(F)F 676172937 YSNKZQHAHKQGNS-UHFFFAOYSA-N 437.359 5.157 30 20 IKED Cc1cc(NC(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)cc(C(F)(F)F)c1 683133928 JFXZBHJTVIICEH-UHFFFAOYSA-N 432.299 5.005 30 20 IKED CC(=NNc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(Cl)c(Cl)c1Cl 726426286 MNNITBXCRFPCHW-UHFFFAOYSA-N 427.687 5.479 30 20 IKED COc1ccc2nc(C)c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc2c1 728187481 WVWSGMFZPYPPLU-UHFFFAOYSA-N 441.462 5.394 30 20 IKED COc1ccc(-c2nc(S[C@@H](C)c3ccc(OC(F)(F)F)cc3)nc(O)c2C#N)cc1 728703591 HQGGENXGNZXGJL-LBPRGKRZSA-N 447.438 5.481 30 20 IKED Cc1csc(SCc2ccc(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc2)n1 728878442 WANSYYNMEXILJN-UHFFFAOYSA-N 449.601 5.299 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=S)Nc1ccc(C#N)c(Cl)c1 729164784 OJANAKCXDPQHLN-GFCCVEGCSA-N 430.961 5.830 30 20 IKED C/C(=C\C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1Cl 731081078 VMPVTDDVOKRBHJ-YLQKULKDSA-N 428.941 5.177 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)ccc1OC 733643218 IKNNQQQFCFDTTH-SFTDATJTSA-N 441.547 5.492 30 20 IKED C[C@@H](OC(=O)Cc1ccc(OCC#N)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 733710350 SCKYCYUZRDYKEP-GFCCVEGCSA-N 431.332 5.473 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(Cl)c(Cl)c1)[n+]1cccc(O)c1Cl 735668031 VYNODBGWWZDHLM-UHFFFAOYSA-O 430.764 5.017 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCC(C)(C)NC(=O)OC(C)(C)C)n2)cc1 739161006 WOKRMMFTSQSPHB-KRWDZBQOSA-N 443.569 5.078 30 20 IKED O=C(/C=C\c1ncc(-c2cccc(Br)c2)[nH]1)c1c(Cl)nc2sccn12 741844509 PXTYHJYSGLHQNA-PLNGDYQASA-N 433.718 5.098 30 20 IKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)c1 743449334 NDPAHLKMJOHPNB-HNNXBMFYSA-N 446.315 5.087 30 20 IKED COc1ccc(-c2ncc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)s2)cc1 744032550 GRAODKREYFMYSK-MRXNPFEDSA-N 446.315 5.087 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CC[C@@H](c3ccccc3)[C@@H](CC)C2)ccc1OC 746418711 XAYWKGBWASWUJR-MDNUFGMLSA-N 435.568 5.101 30 20 IKED COc1ccc(N2C/C(=C/c3ccc(C#N)s3)C(=O)/C(=C\c3ccc(C#N)s3)C2)cc1 748999409 XQQOIZKQRINMBJ-APGQMXJTSA-N 443.553 5.118 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)cc1 750990113 LTRWXARKXSSRNC-YTFSRNRJSA-N 431.561 5.524 30 20 IKED CC(=O)c1ccc(Cl)c(S(=O)(=O)Oc2ccccc2Oc2ccc(C#N)cc2F)c1 755965608 KXPYMHJOQDRNQD-UHFFFAOYSA-N 445.855 5.113 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1 756232646 DANCINAYYSHLAQ-MRXNPFEDSA-N 446.919 5.215 30 20 IKED C=C(C)[C@H](CC(=O)OCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)OCC 756469668 GPRWHQYOHHYMRO-NSHDSACASA-N 429.127 5.153 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3Cc4ccc(Br)cc4C3)cn2)c1 765130843 CXNCKKKHNVUAFC-UHFFFAOYSA-N 435.281 5.056 30 20 IKED Cc1ccc(Cl)c(NC(=S)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1Cl 768290052 PQOMHJIQXMGDFK-UHFFFAOYSA-N 435.380 5.245 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN2CCCC[C@@H]2c2ccc(F)cc2F)c1=S 769847250 RYNVHLBJSRVVMX-HXUWFJFHSA-N 427.524 5.125 30 20 IKED Cc1cc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)ccc1NC(=O)OC(C)(C)C 772693503 MUHZOIQRIHZLLY-SFHVURJKSA-N 433.430 5.356 30 20 IKED CCC[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1cccc(C(F)(F)F)c1 775324914 RTWUPLHAHFINBU-RTBURBONSA-N 438.453 5.373 30 20 IKED CC(C)(C#N)CCOC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 776393650 IPDWUPUCCUHCKB-NSKAOLIHSA-N 425.413 5.592 30 20 IKED CN1CCC(N(C)c2ccc(NC(=O)c3ccccc3Oc3ccccc3C#N)cc2)CC1 777945254 CYUVOHBNDHYKOK-UHFFFAOYSA-N 440.547 5.133 30 20 IKED O=C(O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cc(OCC(F)F)ccn1 778024323 OXJYMDLNSHIIPU-AWEZNQCLSA-N 429.263 5.205 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)n1 779218679 QCAFQJGPWMZGAY-WIYYLYMNSA-N 431.561 5.148 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 780153931 MTCHNBPABUJGQE-HUUCEWRRSA-N 441.940 5.546 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 780167308 ZYTNHVQDZUUXCU-OAHLLOKOSA-N 444.878 5.600 30 20 IKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 780306380 VWNDYOKGWPCWFE-HXUWFJFHSA-N 439.446 5.011 30 20 IKED CCN(Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1)C(=O)NCc1ccc(C#N)cn1 780663715 OZJNRZZVNZXVKB-UHFFFAOYSA-N 442.563 5.189 30 20 IKED Cc1nnc(SCc2c(C(=O)O[C@H](C)c3cccc(C#N)c3)oc3ccccc23)s1 783087398 UAHYGBJUORLWTQ-CYBMUJFWSA-N 435.530 5.675 30 20 IKED CCCc1c(NC(=O)N[C@@H](C)c2nc3ccccc3s2)cnn1-c1cccc(C#N)c1 784469712 WFMCMOYHLVIKNM-HNNXBMFYSA-N 430.537 5.189 30 20 IKED N#C[C@H](COC(=O)c1csc(Cc2ccccc2)n1)Cc1ccccc1Br 786638760 PIJIWEOYUXZKTK-MRXNPFEDSA-N 441.350 5.036 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 791726302 ZQJRGEGDRJAVCG-UHFFFAOYSA-N 448.592 5.257 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)c1Br 791772006 SSMSDMFRIWNPHI-CYBMUJFWSA-N 440.124 5.334 30 20 IKED CC(C)(C)OC(=O)N1CCCc2c(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)cccc21 797571219 NFLWPCYZFCBVIL-KRWDZBQOSA-N 439.581 5.618 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3nc(Br)sc3C3CC3)cc2)ccn1 811613044 QORQUUIEACDHGP-UHFFFAOYSA-N 441.310 5.094 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)Nc3ccc(C#N)cc3Cl)C2)C1 814671293 YGKUAGHQHUWTFI-MSOLQXFVSA-N 446.979 5.103 30 20 IKED C=CC[C@H](NC(=O)C(=O)Nc1ccc(-c2ccc(OC(C)C)cc2)cc1F)c1ccncc1 815537835 MIPLOOPZMNGZEL-QHCPKHFHSA-N 447.510 5.047 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2SCc2cccs2)cc1 915086556 LCOCAKOLIFVXAJ-DEOSSOPVSA-N 440.593 6.948 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCNC(=O)c3ccc4ccccc4c3)n2)cc1 915099858 DHPKGRYPXFSHLW-JOCHJYFZSA-N 439.540 5.268 30 20 IKED C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1OC 916662758 APBAQZWFRXIAKX-ZHZULCJRSA-N 427.547 5.065 30 20 IKED N#C[C@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1nc2ccccc2s1 916846298 PDERFXQEJVXXGW-HXUWFJFHSA-N 439.515 6.393 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(SC(F)F)cc1 916908886 OERGSZWUAGULRH-GOSISDBHSA-N 438.455 5.755 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(F)c2)n1)C(=O)Nc1ccc(Cl)cc1Cl 916928026 SOGHHFOINKCYOZ-HNNXBMFYSA-N 448.306 5.146 30 20 IKED C[C@H](Oc1ccc2c(c1)CCC2)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042912 HZPMTPBNFHSRSK-SJCJKPOMSA-N 430.451 5.448 30 20 IKED C[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F 919920361 TYHKASAVKUTJAY-MXWKQRLJSA-N 436.318 5.539 30 20 IKED N#C[C@@H](C(=O)CCSc1ccc(Br)cc1)c1nc(-c2ccccc2)cs1 920114052 YFBAYIMZFLYDAO-KRWDZBQOSA-N 443.391 5.931 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(Oc2cccnc2)cc1 920790449 ZESMWGKJIAWKIS-QHCPKHFHSA-N 449.466 5.627 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@H](c1ccccc1)c1ccc(Cl)cc1 920799372 SONZEKGFEXEDRA-XMMPIXPASA-N 444.922 5.137 30 20 IKED N#CCCn1cc(C(=O)OCc2ccc(Cl)c(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 920839399 OLNLSGMBEKVBAL-UHFFFAOYSA-N 445.262 5.036 30 20 IKED C=CCN(C(=O)COc1cc(C)on1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 921192375 HQFKNCCWHXBQRC-UHFFFAOYSA-N 431.517 5.372 30 20 IKED C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1789207994 QADPSRXAWHGZFL-NGRMBUTOSA-N 436.577 5.057 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3c(C)nc4ccccn34)CCC2)cc1 1789454413 YBNGABZIHBNLMX-JOCHJYFZSA-N 442.563 5.159 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CCC2)cc1)C(F)(F)F 1791302790 YGSMHNGCORUJBD-PMACEKPBSA-N 446.444 5.182 30 20 IKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)CCCCCC(C)(C)C)[C@H]2c2cccnc2)C1 1802413084 KVNOAKIPLYVTLK-URXFXBBRSA-N 425.617 5.050 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)cc2F)n[nH]1 1814580943 HYXSCSBVHVVESA-OXJNMPFZSA-N 444.938 5.277 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cccc(C)c3[nH]2)n[nH]1 1819024680 VWEBVPMMMJCNPE-NRFANRHFSA-N 447.583 5.498 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)/C(C)=C/c3ccc(C)o3)sc2C1 1819975448 VTMCSEOWGNXARN-GSPCDJLXSA-N 441.597 5.052 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C)c2F)CC1 1828825727 YIUJJXBVFHAXJB-FYYLOGMGSA-N 426.576 5.136 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(-c3ccccc3)n2)CC1 1831370329 LGGKNKHGDNWMQG-LVXARBLLSA-N 445.607 5.194 30 20 IKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1831852032 MECHYFWKOKUFCS-QFIPXVFZSA-N 449.422 5.339 30 20 IKED Cc1cccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2ccc3c(c2)CCCC3)c1 10167494 MQPAJVYCTDUIDW-UHFFFAOYSA-O 443.636 6.336 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(F)ccc1F)=C(/S)Nc1ccc(C)cc1C 22729512 FHFAQKGGRYHOEM-UHFFFAOYSA-O 425.524 5.482 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2cc(C)cc(C)c2)cc1 23603906 WSCXCEUTFROQGL-UHFFFAOYSA-O 448.656 6.490 30 20 IKED C=CCN(C(=O)c1ccc(N2CCc3ccccc3C2)cc1)c1nc2c(s1)CCCC2 63898454 GRDKCVFFMVZSRB-UHFFFAOYSA-N 429.589 5.417 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)o1 63951292 QPXDPVSHSQDNME-UHFFFAOYSA-N 437.455 5.235 30 20 IKED CCN(C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)[C@H](C)c1ccc(C#N)cc1 109883561 AOFXKKBZDIQKFB-QGZVFWFLSA-N 427.533 5.091 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)c(C)c2)n1 195557039 XYEPWFKPUVEQCV-OAQYLSRUSA-N 426.545 5.470 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3coc(-c4cccs4)n3)cc2Cl)c1 303327676 WFFPSPHOEATTMN-UHFFFAOYSA-N 449.919 5.688 30 20 IKED Cc1c(-c2nc(Cc3ccc(Oc4ncccn4)cc3)no2)sc2ccc(C#N)cc12 426411787 RJVITFGNAXPMOJ-UHFFFAOYSA-N 425.473 5.305 30 20 IKED N#Cc1ccc(-c2nnc(COc3cc(Cl)c(Br)cc3Cl)o2)cc1 428263010 HPQRYGSSBFNXFZ-UHFFFAOYSA-N 425.069 5.257 30 20 IKED N#CCCC[C@H](c1ccccc1)N1C(=O)CN(CCc2ccc(Cl)cc2Cl)C1=O 432029008 ZVGPTPFZLJKXBJ-HXUWFJFHSA-N 430.335 5.235 30 20 IKED C=CCOc1cccc(NC(=O)N2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c1 437833040 JUJBXKIGUMQWNW-UHFFFAOYSA-N 448.350 5.441 30 20 IKED CC(C)Oc1ccc(NC(=O)C(=O)Nc2cccc(CO[C@H]3CCC[C@H](C)C3)c2)cc1C#N 438721709 LERBMUSJZVPKLE-MBSDFSHPSA-N 449.551 5.018 30 20 IKED CCSc1ccc(-c2noc(C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n2)cc1 445749141 NKMCWHGZIAAHNP-UHFFFAOYSA-N 447.520 5.352 30 20 IKED C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H]1c1csc(C)n1 460945804 BRWLCCUUFRQVPR-GOSISDBHSA-N 444.402 5.390 30 20 IKED N#Cc1ccc(-c2nnc(N3CCCC[C@@H]3c3ccccc3)n2C[C@H]2CCCCO2)cc1 461843505 QRLDBUAPBYKSIE-DNQXCXABSA-N 427.552 5.117 30 20 IKED Cc1ccc(-n2ncc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)c2C(F)(F)F)cc1 464426689 JRVHLSCDEKFUIB-CQSZACIVSA-N 438.331 5.103 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C 468573187 CHGLFUJYSRNKCP-VLIAUNLRSA-N 445.535 5.201 30 20 IKED N#CCCCn1cc(C(=O)N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)c2ccccc21 469585030 NCQGEWJHMZTXEO-BVAGGSTKSA-N 440.591 5.072 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@H](CC3CCCC3)c3ccccc3)ccc21 470532166 NNFYIEZPYWIGMP-XMMPIXPASA-N 444.579 5.713 30 20 IKED CC(C)c1ccc(CCCNC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 470537497 LESFUXZCGJUFHS-UHFFFAOYSA-N 432.568 5.147 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)Nc3ccc(CCC(F)(F)F)cc3)ccc21 470541657 CDQHNOJTOWGXEV-UHFFFAOYSA-N 444.457 5.408 30 20 IKED N#Cc1ccc(C[C@H](C#N)C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc1 470733545 PGTHOLILRWEQMP-GFCCVEGCSA-N 433.345 5.371 30 20 IKED N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(Oc3cccc(F)c3)c3ccncc23)cc1 470900047 LBXXKAURHOKXLZ-IBGZPJMESA-N 436.446 5.359 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc1 473303025 PAMIYJKOSUESGQ-XMMPIXPASA-N 441.600 5.102 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 476084140 GFMVALZJXRYUDQ-UHFFFAOYSA-N 444.522 6.862 30 20 IKED CC(C)(C#N)c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2Br)cc1 476485629 PVTNCBOVVZMAFL-UHFFFAOYSA-N 427.220 5.401 30 20 IKED C=C(C)[C@@H](NC(=O)Nc1cccc(CSC2CCOCC2)c1)c1ccc(F)c(F)c1 480759362 GCDJQLQNGKEBFJ-JOCHJYFZSA-N 432.536 5.816 30 20 IKED Cn1cc([C@@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c2ccc(F)cc2)cn1 480811592 MVGOPOGDTGVWPQ-DEOSSOPVSA-N 441.466 5.134 30 20 IKED N#Cc1cc(NC(=O)CCCc2ncc(-c3ccccc3)o2)ccc1OCC(F)(F)F 481830872 NBZFUQMQNSQKJE-UHFFFAOYSA-N 429.398 5.116 30 20 IKED N#Cc1cc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)ccc1OCC(F)(F)F 481879301 NWVXWRZZIZPVBS-UHFFFAOYSA-N 442.368 5.122 30 20 IKED CCS[C@H](C)c1noc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)n1 482927560 KPIVOCIRHIFURN-OAHLLOKOSA-N 437.525 5.212 30 20 IKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nccc4ccccc34)cc(-c3ccccc3)nc21 483228955 NQAOKNJVJULJAO-JOCHJYFZSA-N 431.499 5.717 30 20 IKED CC(C)(C#N)c1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc(C3CCCC3)no2)cc1 483830848 JJHSQQIXKRGVCR-UHFFFAOYSA-N 434.927 6.101 30 20 IKED C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)c1cnc(C(F)(F)F)c(C#N)c1 483898240 RSWYSOTUWCNVDK-ZHRRBRCNSA-N 435.449 5.191 30 20 IKED COc1ccc([C@@H](NC(=O)NCc2cccc(C#N)c2)c2ccc(C(F)(F)F)cc2)cc1 486214841 LANHMUSKGZVWOK-QFIPXVFZSA-N 439.437 5.174 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3C[C@H]3c3ccc(C(F)(F)F)cc3)s2)cc1 487389885 UQRMHYOTWXJAQT-RBUKOAKNSA-N 427.451 5.367 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCc1ccc(-n2nc(C)cc2C)cc1 489662332 SNJHKEMBRYWDSJ-UHFFFAOYSA-N 431.565 5.138 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2cccc(C(F)(F)F)c2)cc1C 493398246 ZGGVGEZSHXAIEQ-UHFFFAOYSA-N 426.442 5.029 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 499239438 JXVHKAWQSDQUCD-ZDUSSCGKSA-N 445.372 5.309 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 500747312 XUEULALXCBRHTH-GOSISDBHSA-N 445.906 5.304 30 20 IKED CCCCn1ccnc1-c1cccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1 502639822 SRAMVZXTLCMLOD-UHFFFAOYSA-N 425.536 5.543 30 20 IKED N#C[C@@H](C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1)c1nc2cc(Cl)ccc2s1 503573939 URVGFCZTKRTMNH-LBPRGKRZSA-N 439.905 5.292 30 20 IKED CN(Cc1ccc(F)cc1Cl)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 504052826 GJGGXKRXIDCCMM-UHFFFAOYSA-N 436.874 5.267 30 20 IKED Cc1nc(COc2ccccc2C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cs1 505992381 PYAFEPZVFXEZGY-SFHVURJKSA-N 432.332 5.332 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(COc3ccccc3)CC2)cc1 507920803 LRMXISZUHUFKBR-UHFFFAOYSA-N 442.584 5.782 30 20 IKED CCCOc1c(Br)cc(C(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)cc1OC 509615980 HCJCHOFEIQRVCV-OAHLLOKOSA-N 445.357 5.341 30 20 IKED Cc1c(C(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)sc2ccc(Br)cc12 509658357 ONHUDRVJSGSIQE-XLIONFOSSA-N 433.371 5.040 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nc(-c2ccccc2)ccc1C#N 510217860 OQUBARUAULBWCJ-KRWDZBQOSA-N 444.585 5.603 30 20 IKED FC(F)Oc1ccc([C@@H](NCc2nc3cc(C(F)(F)F)ccc3o2)C(F)(F)F)cc1 510420434 PZKBQOBBABJBRQ-OAHLLOKOSA-N 440.290 5.841 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCC[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 510844349 QVSFPLCSFDPEPG-SJBKTWHCSA-N 436.625 5.503 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 510986003 OGJXJLZNDYRFNI-HXUWFJFHSA-N 430.932 5.127 30 20 IKED N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)n1 512106740 ADHQVYBHKUDWPM-HOTGVXAUSA-N 443.507 5.181 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cc1 512889471 NEHFARLGBQXGJW-INIZCTEOSA-N 427.373 5.514 30 20 IKED Cn1c([C@H](C#N)C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)nc2ccccc21 513676779 KMZBOEIXWXFBIM-QGZVFWFLSA-N 441.878 5.162 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1ccc(Oc2cccc(F)c2)cc1)c1ccccc1 517507013 XVJMVOJLVXFXLH-UHFFFAOYSA-N 431.467 5.284 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)CC1 517666930 DNUDAUCJSRBQME-VHZYLWGESA-N 429.347 5.475 30 20 IKED CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cccc(Cl)c1 518750340 JNBPLGKRDAAQMR-JOCHJYFZSA-N 433.895 5.210 30 20 IKED Cc1ccc2c(C3=CCN(C(=O)Nc4ccccc4S[C@H](C)CC#N)CC3)c[nH]c2c1 518752502 QZIQDMQUXWBKOU-GOSISDBHSA-N 430.577 6.192 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 518753734 ZSZFHEHWSFRRKR-AUUYWEPGSA-N 434.392 6.757 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC(c4cccc5ccccc45)CC3)cc2)nc1 518907737 BOWBHJLLIFKSFC-UHFFFAOYSA-N 433.511 5.919 30 20 IKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 520924503 ZJNJZOSQBBGMQU-SJORKVTESA-N 427.595 5.088 30 20 IKED Cc1ccc(SCC(F)(F)F)c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1 522940707 HTNOYVLTEDXYEE-UHFFFAOYSA-N 443.450 5.961 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(c4ccccc4F)CC3)c2)cc1 523015820 GYCDBJYETVWRMR-UHFFFAOYSA-N 443.522 5.882 30 20 IKED CC1CCC(OC2CCN(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)CC1 532958605 OPHLUHXOQUUDBI-GPJFCIFZSA-N 429.630 5.079 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2C)cc1 536052236 PVJXZUGZEMSNSG-UHFFFAOYSA-N 442.441 5.363 30 20 IKED CC(=O)Nc1ccc(F)c(NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1 540536956 IDAVDXMETJYCLB-HNNXBMFYSA-N 437.315 5.228 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(CCCn4ccnc4)CC3)c2)cc1 543966398 RGEWHFCDOFZTFS-UHFFFAOYSA-N 429.524 5.271 30 20 IKED N#Cc1cc(NC(=O)c2nc3ccccc3cc2Br)ccc1OC(F)(F)F 558119990 QLBUXMDYFNYSGU-UHFFFAOYSA-N 436.187 5.020 30 20 IKED CC(C)N(Cc1ccc(NC(=O)N[C@H](CCC#N)c2ccccc2)cc1)C[C@H]1CCCCO1 563974771 ORVBITMYGOWCHC-CLJLJLNGSA-N 448.611 5.633 30 20 IKED Cc1c(C(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)sc2ccc(C#N)cc12 571262495 GNASJCKHNQQCJF-QGZVFWFLSA-N 427.529 5.546 30 20 IKED Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)N[C@@H](CCCC#N)c1ccccc1 576009490 HTVMIXWEVXVBIK-VWLOTQADSA-N 441.531 5.064 30 20 IKED N#C[C@@H](C(=O)c1ccc2nc(C(F)F)[nH]c2c1)c1nc(-c2ccc(Cl)cc2)cs1 601432905 YBMXFDAZYMCQNC-ZDUSSCGKSA-N 428.851 5.767 30 20 IKED C=CCN(C(=O)c1cccc(CC#N)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 603733775 JOCYESFJXYKSND-UHFFFAOYSA-N 428.344 6.016 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl 603739147 VPYBTIJTJWYYOH-CQSZACIVSA-N 442.302 5.767 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 604109957 KTMUIAIDMTUCCW-LJQANCHMSA-N 433.335 5.396 30 20 IKED CCc1c(C)sc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c1C#N 609032745 ANUIIOJWWWQWJT-GOSISDBHSA-N 431.561 5.135 30 20 IKED COCCSc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 609147544 FCUHSGMQSHFPMM-QGZVFWFLSA-N 448.548 5.367 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)N[C@H]3CCSc4ccc(Cl)cc43)CC2)c1 609212002 QIWRQIKKAGZRNQ-FQEVSTJZSA-N 427.957 5.002 30 20 IKED COc1ccc2c(-c3ccccc3)c(C(=O)Nc3ccccc3SC[C@H](C)C#N)oc2c1 609376660 GBXXWMOLRJBSHZ-QGZVFWFLSA-N 442.540 6.612 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)C[C@H]1CCCO[C@@H]1c1ccccc1 609388499 QXLHARCBRGIBDV-DZRGJMJISA-N 437.609 5.119 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 609434082 TWBCLEWTAHIBLK-UHFFFAOYSA-N 447.366 5.050 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 609438994 RKQOBJNQJRZAJK-IBGZPJMESA-N 444.645 5.016 30 20 IKED N#CCn1c(C(=O)Nc2nc(-c3cc(Br)cs3)cs2)cc2ccccc21 609581047 LHEZZIIIDZFQKA-UHFFFAOYSA-N 443.351 5.365 30 20 IKED C[C@H](Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 609768719 JIKQMCVWAGJRAB-AWEZNQCLSA-N 448.504 5.248 30 20 IKED CN(C(=O)C1CC1)c1ccccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 613320097 RORFZIHVRFZKIC-GOSISDBHSA-N 435.936 5.326 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(CC)cc2)nnc1-c1ccc(F)cc1 619097372 NONCVZWLSGSQOV-SJORKVTESA-N 438.572 5.191 30 20 IKED Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 683722242 IMBRTRFIGVKYIZ-AVGNSLFASA-N 436.318 5.371 30 20 IKED FC(F)(F)c1ccc(-c2n[nH]cc2CN2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1 683831831 GEQGNCBQMZVFIE-STQMWFEESA-N 431.302 5.268 30 20 IKED Cc1cc(C)cc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c1 730416678 GPDCIPCDHUTMNV-QGZVFWFLSA-N 436.537 5.207 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(OC)cc3F)cc2F)cc1 730521351 RABCAZOTEFHSED-UHFFFAOYSA-N 437.446 5.200 30 20 IKED COCCN(CCOc1ccc(F)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 731280815 XBODXBRSBFVLIH-VWLOTQADSA-N 447.510 5.040 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(Cc2cccs2)C(=O)N[C@H]1c1cscn1 731428804 AWQCKXBFUKICSH-SFHVURJKSA-N 429.954 5.125 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccsc2NC(=O)c2ccco2)cc1 731471597 RVSIJZSABBSFQS-HXUWFJFHSA-N 427.485 5.501 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2sc(-c3ccc(C)cc3C)nc2C)ccc1OC 733228929 SBNWCVWDNBGWPS-LJQANCHMSA-N 449.576 5.355 30 20 IKED Cn1cc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)c(C(F)(F)F)n1 733234060 KUVNWHNUSJZMBM-UHFFFAOYSA-N 448.298 5.036 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2nnc([C@H](CC)c3ccccc3)s2)c1 733845655 VEUSMMAOCKUKPO-UYAOXDASSA-N 435.553 5.083 30 20 IKED CN(C(=O)c1ccccc1OCC#N)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 734115396 IUJWWRVTDDUTMO-UHFFFAOYSA-N 427.382 5.072 30 20 IKED CCCCCCC[C@@H](C)CNC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 734166234 PKBXVGIGHKMRCL-MRXNPFEDSA-N 426.523 5.705 30 20 IKED CSCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C)c(C)c1 735968888 LPRXCSSBTHOYDU-FQEVSTJZSA-N 441.622 5.017 30 20 IKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cccc(Oc2nccs2)c1 737323953 YORRFHBIUYNIOO-INIZCTEOSA-N 432.288 5.203 30 20 IKED COc1ccc(CN[C@@H](C)c2sc(-c3ccc(Br)cc3)nc2C)cc1C#N 742372066 PXYKXAKHKYDXCF-ZDUSSCGKSA-N 442.382 5.612 30 20 IKED N#C[C@@H](C(=O)CCNc1ncc(C(F)(F)F)cc1Cl)c1nc2cc(F)ccc2s1 744118586 JHQLXLYMHMAETC-NSHDSACASA-N 442.825 5.181 30 20 IKED Cc1ccccc1-c1noc([C@H](C)OC(=O)c2ccc(COc3ccccc3C#N)o2)n1 746068693 LGQRUHXAVFVPDR-INIZCTEOSA-N 429.432 5.007 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)c(C(F)(F)F)c1 747204807 MVOAIFQQDKFRPO-SNVBAGLBSA-N 435.616 5.627 30 20 IKED COc1cc(/C=C\C(=O)O[C@H](C)c2ccc(C#N)cc2)ccc1OCc1c(C)noc1C 748682157 RPJMOJRUUSFKDX-SAYIFAPPSA-N 432.476 5.068 30 20 IKED Cc1oc(-c2ccco2)nc1CC(=O)OCCC(C#N)(c1ccccc1)c1ccccc1 750191606 UDNLEOIVXVUPGJ-UHFFFAOYSA-N 426.472 5.229 30 20 IKED O=C1/C(=C/c2nc(Cl)cs2)CC2(CCOCC2)C/C1=C\c1nc(Cl)cs1 759086097 ZFKAJQUFLNWNRI-YDWXAUTNSA-N 427.378 5.533 30 20 IKED Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)Nc1cc(C#N)cn1C(C)(C)C 759700779 YFBJSNLRQIEODX-KRWDZBQOSA-N 430.984 5.298 30 20 IKED CC(C)N(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(F)cc1OCC#N 761663643 ABKNPZYXBGHVCW-UHFFFAOYSA-N 438.272 5.072 30 20 IKED C[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl)c1cccc(C(=O)c2ccccc2)c1 762027401 YNKZTGJTMOPNES-JXFKEZNVSA-N 430.891 5.022 30 20 IKED N#CCc1ccc(NC(=O)c2sccc2NC(=O)c2ccc(Br)cc2)cc1 763852371 IFYDSBVBBZDUML-UHFFFAOYSA-N 440.322 5.081 30 20 IKED COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nc1Cl 766841918 OSDLHQIXXRTYNH-NSHDSACASA-N 438.723 5.664 30 20 IKED CC(C)(C#N)c1ccccc1COC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 768030360 SYYLOCWUKYYPNX-DEOSSOPVSA-N 442.515 5.199 30 20 IKED O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1cccnc1SC(F)F 768070903 JTTUEURLORYBRI-UHFFFAOYSA-N 428.329 5.311 30 20 IKED CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)c2cn(CCCC#N)c3ccccc23)cc1 768109048 IUEJVEOJWZGPGK-UHFFFAOYSA-N 425.536 5.186 30 20 IKED N#CCCCn1cc(C(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)c2ccccc21 768308755 MAXAMWXFAVDLHS-NRFANRHFSA-N 430.335 5.105 30 20 IKED CCCOc1ccc2[nH]cc(C=Nn3c(C)nc4scc(-c5ccccc5)c4c3=O)c2c1 768353251 WTIIKDRYIIAYQI-UHFFFAOYSA-N 442.544 5.586 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCCc2cccc(C(F)(F)F)c2)cc1Cl 770845312 AOJLGBBSNFUTLH-MRXNPFEDSA-N 438.833 5.038 30 20 IKED Cc1cc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)ccc1NC(=O)OC(C)(C)C 772693501 MUHZOIQRIHZLLY-GOSISDBHSA-N 433.430 5.356 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(OC3CCCC3)cc2)cc1 783213407 DNOSLTIAHABVKU-VWLOTQADSA-N 439.515 5.241 30 20 IKED CCCn1c(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc2ccccc21 786928068 ARFQTQLVNZJUPL-NRFANRHFSA-N 437.499 5.805 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@H](C#N)c2nccc3ccccc23)cc1 792103805 UADFNRARPWMXDK-VWLOTQADSA-N 445.522 6.201 30 20 IKED Cc1ccc(-n2cnc3c2CCN(C(=O)Nc2ccc([C@H](C#N)c4ccccc4)cc2)C3)cc1 792733412 XEXHRLIFJWZNTR-RUZDIDTESA-N 447.542 5.426 30 20 IKED Cc1cc(SC(C)(C)C)ccc1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 795974453 DLOXYBBTMITVDU-UHFFFAOYSA-N 425.573 5.752 30 20 IKED C[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)[C@@H]1OCCc2sccc21 796745604 LWSIMHGGECSABJ-MTJJIEKYSA-N 446.528 5.138 30 20 IKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1ccccc1Oc1cccc(C)c1 799603076 JGWBEXSRVWFQCR-FQEVSTJZSA-N 444.487 5.114 30 20 IKED N#C[C@@H](C(=O)[C@H]1CCN(c2ccccc2Cl)C1)c1nc2cc(C(F)(F)F)ccc2s1 810535666 GMAFYSYUCQIPLQ-JSGCOSHPSA-N 449.885 5.671 30 20 IKED N#C[C@@H](C(=O)C1CCC(OC[C@H]2CCCO2)CC1)c1nc(-c2c(F)cccc2F)cs1 815925595 JYZRRYACUGFLIJ-BACDZXNISA-N 446.519 5.019 30 20 IKED N#Cc1cc(C(=O)O[C@@H]2CCCc3nc(-c4ccccc4)sc32)cnc1C(F)(F)F 815959278 ADWDNWJGLOMYJA-MRXNPFEDSA-N 429.423 5.330 30 20 IKED Cc1cc(NC(=O)c2sc3ccc(C#N)cc3c2C)c(C(=O)NCC(F)(F)F)cc1F 816778056 PORBBPFHANJDPV-UHFFFAOYSA-N 449.429 5.073 30 20 IKED C[C@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1 837515942 CAIGUSNXRBFJAH-GCJKJVERSA-N 447.560 5.261 30 20 IKED N#C[C@H](C(=O)CCCc1c[nH]c2ccccc12)c1nc2cc(C(F)(F)F)ccc2s1 915104222 NKIGLTABNUZQEX-MRXNPFEDSA-N 427.451 5.996 30 20 IKED Cc1ccc(-c2nc(CC(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cs2)o1 915105240 WRJMBIDSDJDNLK-ZDUSSCGKSA-N 447.463 5.759 30 20 IKED COCc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)sc2cccc(F)c12 915107989 ZVGQLPQRMNWEMD-LLVKDONJSA-N 429.423 5.422 30 20 IKED CC(C)[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1 915752128 GYOFXUZFWSXSFV-RPWUZVMVSA-N 445.950 5.447 30 20 IKED CC[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(Cl)c1 915766585 QVRNAVRBNKCOIQ-DHIUTWEWSA-N 431.923 5.201 30 20 IKED COc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1OC1CCCC1 916383284 AWJIFGAYLUHXCL-DEOSSOPVSA-N 426.516 5.924 30 20 IKED N#C[C@@H](C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)Nc1ccccc1 916898825 HQQXLDHUAZADRM-JTHBVZDNSA-N 434.948 5.510 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1csc(-c2cccc(Cl)c2)n1 916937090 BACRQHVBXJDKFC-CYBMUJFWSA-N 434.279 5.217 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995666 CALBFMFXFSMSDY-UHIISALHSA-N 447.309 6.662 30 20 IKED COc1ccc2cc(C(=O)/C=C\c3csc(N(C(C)=O)c4ccc(C)cc4)n3)ccc2c1 917561761 MXHTVKCTHAXAFY-LCYFTJDESA-N 442.540 6.194 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(CCc2ccccc2)Cc2cccnc2)cc1 918547981 IATAQQPDTMIOFP-MUUNZHRXSA-N 446.554 6.014 30 20 IKED Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1 919802589 YSCOMOJJYWCHGA-BEFAXECRSA-N 437.952 5.181 30 20 IKED Cc1sc(NC(=O)c2ccccc2OCC#N)nc1-c1ccc(Br)cc1 919981701 PRNVDAIVPJGQKY-UHFFFAOYSA-N 428.311 5.036 30 20 IKED N#C[C@@H](C(=O)CCc1nnc(-c2ccsc2)o1)c1nc(-c2c(F)cccc2F)cs1 920806753 PJQVFXLVYJNNRQ-LBPRGKRZSA-N 442.472 5.009 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4c(C)oc5cc(O)ccc45)CCC3)cc2)C1 1785807507 FXDKEJJDDFVDNB-UHFFFAOYSA-N 430.504 5.161 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5ncccc45)cc3)CCC2)c1 1788906562 WQVUPNQNZGLFSD-UHFFFAOYSA-N 446.510 5.168 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4[nH]c(C)cc4c3)cc2)CCC1 1790988990 RSDWXJFAXFTSNM-GOSISDBHSA-N 446.551 5.025 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3SCC)C2)CC1 1804715331 WXMXCXSBACWONY-UHFFFAOYSA-N 443.657 5.031 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(Cl)cc3F)C2)CC1 1805064934 LMIDGBQIQCCFSC-IBGZPJMESA-N 432.967 5.092 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3ccoc3c2)[C@H]1c1cccnc1 1810503608 RWESAPJBDIIAHR-UPVQGACJSA-N 445.563 5.140 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccccc3n2C)[nH]n1 1814443126 NFZYJFSZNVJHMY-NRFANRHFSA-N 447.583 5.200 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccnc(C(C)(C)C)c2)n[nH]1 1816106511 CNGQQCCMSUCWGM-CTNGQTDRSA-N 449.599 5.177 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCCCC2(F)F)[nH]n1 1819553075 RPXPHWWONJFCAM-WMZOPIPTSA-N 436.547 5.220 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3nc(C)ccc3o2)CC1 1828824603 MAGCUMZNMVFHMW-GGAORHGYSA-N 449.595 5.138 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCn2cccc2)CC1 1829038795 REFHSXNKZGSTIP-XMMPIXPASA-N 441.660 5.271 30 20 IKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)s1 1832633438 CKGHQGAPOPKXHE-JPYJTQIMSA-N 449.620 5.231 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2cccc(C)c2C)cc1 10167839 LNZYJKATJVZHCZ-UHFFFAOYSA-O 430.018 5.919 30 20 IKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2cccc(CO)c2)cc1 10827139 MCAIRYZUEPOXRF-UHFFFAOYSA-O 439.988 5.294 30 20 IKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN(C)[C@@H]2CCCc3ccccc32)c1=S 23611411 WCFQYEJLPKSPPX-OFNKIYASSA-N 448.592 5.079 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)c1ccc(Br)cc1 32788328 RFNWDIPODGKNIH-HNNXBMFYSA-N 442.382 5.181 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2ccc(Br)cc2)nnc1-c1ccoc1C 35767177 KXELMPGHYSQDGW-CYBMUJFWSA-N 432.343 5.159 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 58431110 YXQBXSZNSPVKTR-UHFFFAOYSA-N 449.938 5.471 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1c(C)nn(-c2ccc(C)c(Cl)c2)c1C 62905852 IYKGHZVEYSZBGI-UHFFFAOYSA-N 432.955 5.080 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(c2ccc(Br)cc2)CC1 107805421 QOTZMBPRLCVEHR-UHFFFAOYSA-N 448.320 5.487 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1cc(C#N)ccc1OC(C)C 115762624 BROUJFMZXINMOF-UHFFFAOYSA-N 437.496 5.359 30 20 IKED Cc1cc(N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)n2c(nc3ccccc32)c1C#N 301242912 AATNANRRHVSKDV-UHFFFAOYSA-N 448.448 5.184 30 20 IKED N#CCC[C@H](Nc1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1Cl)c1ccccc1 301784237 KSSSAQWTOWOQAC-KRWDZBQOSA-N 432.833 5.362 30 20 IKED C=CCN(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)S(=O)(=O)c1cccs1 303016239 SGAQOSSOUXJHQU-UHFFFAOYSA-N 444.525 5.267 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)cc2)c1 303189835 MDZDUOYSTCJKJX-UHFFFAOYSA-N 447.494 5.642 30 20 IKED CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)ccc12 303314634 RVKLPPLAEHXORX-INIZCTEOSA-N 436.533 5.015 30 20 IKED Cc1cc(CNC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1-c1ccccc1 427508838 FZSBAUOHYHAXGW-LJQANCHMSA-N 443.572 5.311 30 20 IKED Cc1ccc(OC(F)F)c(CSCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 427696196 PGRNXEYPUBNYNE-HNNXBMFYSA-N 436.549 5.720 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2coc(-c3ccc(Br)cc3F)n2)s1 430602978 XIXXEDZFJIXTNA-GFCCVEGCSA-N 448.317 5.487 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)c1cccc(SCC#N)c1 430691328 LLIUXDCWWGHWHM-CYBMUJFWSA-N 427.982 5.879 30 20 IKED CCCN(C(=O)c1cccs1)C1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 431165408 DVMICUPRVLFHLH-UHFFFAOYSA-N 434.527 5.135 30 20 IKED CC(C)(CO)[C@@H](CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccccc1 437394015 LKLFEEGNEDFTIV-QHCPKHFHSA-N 429.520 5.274 30 20 IKED Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 438223844 GKQBAGHDACBAOO-GRYUFTJMSA-N 444.579 5.313 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2cc(-c3cccc(Cl)c3)no2)c1C#N 445573485 XCXAQMPARAZGHP-UHFFFAOYSA-N 435.896 5.027 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 448403991 APDUFOFSTWIYCA-NBGIEHNGSA-N 430.552 5.140 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 460963223 XVYSCVZNBSCBSR-UHFFFAOYSA-N 432.531 5.235 30 20 IKED N#Cc1ccc(-c2nnc(N3CCC[C@@H]3c3cccc(Cl)c3)n2C[C@H]2CCCCO2)cc1 461857407 BRSPAPDKKYPXME-DHIUTWEWSA-N 447.970 5.381 30 20 IKED Cc1cc(C)c2ncc(C#N)c(N3CCC([C@@H]4C(=O)Nc5cc(Cl)ccc54)CC3)c2c1 462803615 ODEHCUURNJXAPO-QFIPXVFZSA-N 430.939 5.329 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC[C@](CO)(Cc3ccccc3)C2)cc1 462894479 IGSFCOGDMGATAP-MHZLTWQESA-N 442.584 5.167 30 20 IKED COCc1c(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cnn1-c1ccccc1 466247943 ZXYLQZZKFPRHRN-IBGZPJMESA-N 436.515 5.048 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cncc(-c4ccc(Cl)cc4)c3)n2)cc1 467073627 RMBSKVQCCJEVGD-OAQYLSRUSA-N 445.931 6.024 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2nc[nH]n2)cc1Cl 467160873 MNMRFVNUINVVAE-UNMCSNQZSA-N 442.910 5.025 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@@H]3CCCC[C@H]3c3ccccc3)ccc21 470538881 SWLQISHIRTUONB-XZOQPEGZSA-N 430.552 5.117 30 20 IKED CN(Cc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470543687 OCDXMXZXAXJZSK-UHFFFAOYSA-N 426.520 5.087 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(I)ccc1F 474693323 CCJGCXNBHNZPNJ-LLVKDONJSA-N 440.281 5.077 30 20 IKED Cc1csc(NC2CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)CC2)n1 474801172 KNVRBHDKWFJMGN-UHFFFAOYSA-N 432.549 5.027 30 20 IKED C=CCn1c(SCC(=O)c2csc3ccccc23)nnc1[C@H]1COc2ccccc2O1 475959202 QCQJHAFZNUOIOV-HXUWFJFHSA-N 449.557 5.166 30 20 IKED N#CC[C@H](CC(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1)c1ccccc1 477133426 FRBARULMXVYMKC-OAHLLOKOSA-N 427.291 5.602 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 483008915 DEJGCRIYHPKQMT-UHFFFAOYSA-N 431.498 5.391 30 20 IKED Cc1cc(-c2noc([C@@H](C)NCc3cccc(OCc4cccc(C#N)c4)c3)n2)ccc1F 483636596 JQQVDDYGFXRXOK-GOSISDBHSA-N 442.494 5.486 30 20 IKED N#CCCC[C@@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 487272862 TUPQGFLHAQIEJJ-JOCHJYFZSA-N 428.492 5.372 30 20 IKED C[C@H](Sc1nnc(-c2cccc3ccccc23)o1)C(=O)Nc1ccc(C#N)c(Cl)c1 488815194 BKKQVGCECYYOCY-ZDUSSCGKSA-N 434.908 5.534 30 20 IKED COc1ccc([C@@H](NCCCC2(C#N)CCOCC2)c2ccccc2)cc1Br 499517409 JIOWVYSBAJMYMP-QFIPXVFZSA-N 443.385 5.237 30 20 IKED CCCN(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[C@@H](C)c1cc2ccccc2o1 501627854 HTJVBTXBFBLJAW-SFHVURJKSA-N 438.549 5.124 30 20 IKED CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1 502567493 BWCCOMSFRBJMCZ-KRWDZBQOSA-N 446.381 5.379 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3C[C@@H]3c3cccc4ccccc34)s2)cc1 503073115 LZHKGPXKAFQSSR-NHCUHLMSSA-N 442.569 5.597 30 20 IKED C=CCCc1ccccc1NC(=O)N[C@@H](c1cc(OC)c(OC)c(OC)c1)C(F)(F)F 505023380 MDVCLYWPLAUCDT-FQEVSTJZSA-N 438.446 5.256 30 20 IKED N#C[C@H](NC(=O)Cc1ccc(Br)s1)c1ccc(OCc2ccccc2)cc1 505307056 ACPRQQIPFBKIOA-IBGZPJMESA-N 441.350 5.013 30 20 IKED Fc1ccc(OCc2noc(CN[C@H](c3ccccc3C(F)(F)F)C(F)(F)F)n2)cc1 505844184 DSFPGONEQIXNFI-QGZVFWFLSA-N 449.326 5.200 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 508354533 LIYLXFPYPZWOLE-UHFFFAOYSA-N 442.490 5.582 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1 510706789 ZFQSUFUXMSHFPR-UHFFFAOYSA-N 445.494 5.360 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCCCN1C(=O)c1cccs1 511545375 LOQQEZZLIQQGIO-QFIPXVFZSA-N 445.544 5.354 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1csc(N(C(C)=O)c2ccccc2F)n1 512507415 ZHNAVNQIZDCDDF-UHFFFAOYSA-N 441.576 5.323 30 20 IKED C=CCn1c(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)nc2ccccc2c1=O 513949804 GXLXHDPXSGEQDN-UHFFFAOYSA-N 449.601 5.086 30 20 IKED CC(C)(C)c1noc2ncc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)cc12 517282885 PEYVLAJZMDAOFJ-UHFFFAOYSA-N 428.517 5.471 30 20 IKED CC1CCC(OC2CCN(C(=O)c3ccc(OCc4ccccc4C#N)cc3)CC2)CC1 518659593 WVQSJIFBBFEMNT-UHFFFAOYSA-N 432.564 5.337 30 20 IKED C[C@H](C#N)CSc1ccccc1NCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 520827443 CTASMWAABJYAGU-WAIKUNEKSA-N 439.581 5.457 30 20 IKED N#C[C@@H](C(=O)c1cccc(OC[C@H]2CCCO2)c1)c1nc(-c2c(F)cccc2F)cs1 521259266 MDYYGJBYOHKFMX-SJORKVTESA-N 440.471 5.136 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N(Cc3cccs3)C[C@@H]3CCCO3)c2)cc1 522306228 AVLSBXGZVBTMJB-QHCPKHFHSA-N 432.545 5.020 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(Sc4nncs4)cc3)c2)c1 522311660 AROZEAQGKYZYNA-UHFFFAOYSA-N 444.541 5.392 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccccc3COCc3ccccc3)c2)cc1 522313393 BWROMADFVYZYEW-UHFFFAOYSA-N 448.522 6.106 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)CCc3nnc(-c4cc5ccccc5o4)o3)c2C#N)C1 522395247 YHXGQFOACDXCBI-CYBMUJFWSA-N 432.505 5.112 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1 524044828 JRFYSNPHVOIHAD-CJFMBICVSA-N 435.568 5.334 30 20 IKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCO[C@H](c2ccccc2F)C1 524070167 NIHSUXYOBDWBQZ-INIZCTEOSA-N 436.327 5.469 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 524279745 RHIHWRVOUANPPY-CQSZACIVSA-N 442.302 5.767 30 20 IKED Cc1cccc2nc(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cn12 531586188 HITBXPNBZJGSQE-NRFANRHFSA-N 429.911 5.273 30 20 IKED C=C[C@@H](CC(=O)Nc1cc(Br)ccc1Sc1nncn1C)c1ccccc1 534011659 FKSUATKAGXJWGS-AWEZNQCLSA-N 443.370 5.027 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)n1 535384594 ZEGWXNSVKPRCJV-MRXNPFEDSA-N 449.333 5.314 30 20 IKED CN1CC[C@@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)[C@H]1c1ccccc1 536265393 UYSRQGNFNACVBU-ILBGXUMGSA-N 427.573 5.026 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC2(CCN(Cc3ccccc3)C2)CC1 536485986 NXYAWCMNMDYYSQ-NRFANRHFSA-N 448.636 5.601 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC1(c2ccc(F)cc2F)CCCC1 538224214 QUZHMJZKGSYIOW-INIZCTEOSA-N 429.536 5.357 30 20 IKED COc1cc(CCC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc(OC)c1OC 541071156 QWLRCXGBLVHHGW-GOSISDBHSA-N 444.531 5.061 30 20 IKED Oc1nc2cc(-c3nc(-c4cc(F)ccc4C(F)(F)F)no3)ccc2n1CC(F)(F)F 544950299 BPYCXWJYTGVHDM-UHFFFAOYSA-N 446.282 5.179 30 20 IKED Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N(C3CC3)C3(C#N)CCC3)c12 551306743 IYDORIUAIUXSPV-UHFFFAOYSA-N 440.425 5.268 30 20 IKED C[C@H](NC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(F)cncc1F 554001098 JRXLVGRAQXYWJB-VIFPVBQESA-N 441.322 5.300 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC([C@H]2CCCO2)CC1 555264597 AFBKZATUGODGKA-DYESRHJHSA-N 430.980 5.043 30 20 IKED N#CCCC[C@@H](NCc1cnc(-c2ccc(Br)cc2)s1)c1ccccc1 556907923 GQGWDCRLEPPGTJ-HXUWFJFHSA-N 426.383 6.097 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)s2)cc1 557320623 XGKLCPWUAJAMOD-LBPRGKRZSA-N 430.455 5.203 30 20 IKED N#Cc1ccc(Br)c(C[S@@](=O)[C@@H](c2ccccc2)c2ccc(F)cc2)c1 559231940 SCHCSZLKZQMADF-HFZDXXHNSA-N 428.326 5.498 30 20 IKED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(Sc2ccc(Cl)cc2)CC1 563458045 ATIAEYDCBZXNOB-OXJNMPFZSA-N 433.021 5.366 30 20 IKED O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 586182431 UDYNVVWVKZTOCC-BQSGVUBFSA-N 448.329 5.334 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)c1 589739981 GNRJOJDLDJGGMS-HXUWFJFHSA-N 431.330 5.009 30 20 IKED C[C@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)C(=O)N[C@@H](C)c1ccc(F)cc1 603818324 AWSQGWZWZFYQLO-GJZGRUSLSA-N 435.524 5.199 30 20 IKED CCCN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@@H](C)c1ccccc1OC 604499632 IOAGLNOZKIGCKS-SFHVURJKSA-N 430.508 5.759 30 20 IKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cccc(Oc2ccnc3ccccc23)c1 604673332 VUPMHFIXJUUWMJ-UHFFFAOYSA-N 443.528 5.242 30 20 IKED COCc1cccc2sc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)nc12 609186535 URMQYJRSWYGUTB-UHFFFAOYSA-N 445.569 5.859 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(C)c1ccc(C#N)cc1F 609217148 XJAZOMSZYBMSEN-CYBMUJFWSA-N 429.904 5.290 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CCc3nc(-c4ccc(Cl)cc4)no3)cc2)c1 609427184 TVSKMQNLIJHASF-UHFFFAOYSA-N 444.878 5.625 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 609430217 CDBUUGZIOZUZER-IRXDYDNUSA-N 440.544 5.103 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccccc1Sc1ccccc1 609431119 SNCMNVUMTRDGHA-GOSISDBHSA-N 433.602 6.283 30 20 IKED CCc1nc(COc2ccc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)cc2)no1 609642280 KDJRGMJQYRXRMH-UHFFFAOYSA-N 430.489 5.063 30 20 IKED N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc1 609645905 WROQATCJQIGPCS-QHCPKHFHSA-N 444.922 5.071 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc1 610683453 BOTDIPDSKIQBRP-SHQCIBLASA-N 440.543 5.899 30 20 IKED Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 611124836 CJLXRWJCXUROSJ-INIZCTEOSA-N 435.553 5.859 30 20 IKED N#CCCn1cc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(-c2ccccc2)n1 611263602 CQJKMYFAWQJFJD-IAGOWNOFSA-N 430.396 5.026 30 20 IKED Cc1c(C#N)c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)n(-c2ccccc2)c1C 611466726 HQAJYHUGJSCOOK-UHFFFAOYSA-N 446.510 5.073 30 20 IKED COc1ccc(CN(C)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(OC)c1 611854277 MMANOKCVHNECND-SFHVURJKSA-N 429.520 5.145 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)nnc1-c1ccccc1 613809617 ZYYJBCQKQLAJLJ-MRXNPFEDSA-N 426.973 5.096 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 618766164 GXUMMWMECJGOIO-DLBZAZTESA-N 427.348 5.167 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)nnc1-c1ccccc1F 643092483 SWGVYPWVHNQTNW-CQSZACIVSA-N 439.491 5.621 30 20 IKED O=C(c1ccc(Br)c(Cl)c1F)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 683445612 CGRSQWNBLGISCR-BQBZGAKWSA-N 442.556 5.054 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)c1ccc(-c2ccccc2)cc1 684254731 JKNUIFZIDBDCSI-UHFFFAOYSA-N 446.620 5.135 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)nc3c2cnn3[C@@H](C)CC)cc1 726319944 QJOBCVYMRXVJDL-UWJYYQICSA-N 431.540 5.015 30 20 IKED N#Cc1ccc(NC(=S)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1Cl 727289078 PLPYCZBIFHFWNV-LJQANCHMSA-N 445.375 5.010 30 20 IKED C[C@@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1cccc(C#N)c1 727639665 PEJNOALXHFAAAG-CQSZACIVSA-N 447.413 5.006 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(SC(C)C)cc2)cs1 728441111 DEXMMENIGBHNJE-JYRVWZFOSA-N 440.565 6.363 30 20 IKED N#C[C@H](C(=O)CSCc1cc(-c2cccs2)on1)c1nc2cc(F)ccc2s1 730416089 AHRBQTBPWJXYFL-CYBMUJFWSA-N 429.523 5.262 30 20 IKED CCN(C(=O)Cc1ccc(OCC#N)cc1)[C@H](c1cccnc1)c1csc2ccccc12 732570225 KDIAIHXEMYMBSI-AREMUKBSSA-N 441.556 5.379 30 20 IKED N#Cc1ccc(-n2nccc2NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1 733112352 HHZXHBVVRXMMIQ-UHFFFAOYSA-N 427.078 5.005 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)ccc1OC 733277695 NSDAVULBDZLQBQ-ZDUSSCGKSA-N 432.307 5.094 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 733627186 ISYIFIYTUXNTFW-UHFFFAOYSA-N 430.464 5.871 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)c1 733770135 CYCSTPUAKVMICW-NRFANRHFSA-N 440.503 5.052 30 20 IKED CC(C)c1ccc2c(Cl)c(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)sc2c1 734084187 YDGLXZGEHZTZJW-INIZCTEOSA-N 437.977 6.687 30 20 IKED O=C1/C(=C/c2nccn2Cc2ccccc2)COc2c(Br)cc(Cl)cc21 734095605 QWUYENDFVIITBX-RIYZIHGNSA-N 429.701 5.006 30 20 IKED C=CC[C@@H](NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)c1ccncc1 734458924 GGWZTMPKIWVEHK-HSZRJFAPSA-N 431.486 5.874 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CSc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 735770536 SDUPDLJVAWEASI-LSDHHAIUSA-N 431.369 6.183 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](Cc2ccccc2)c2ccccc2F)c1 740917276 MYVPPMZFRDUMPN-PXDATVDWSA-N 431.511 5.290 30 20 IKED COc1ccc(/C=C2/N=C(SCCC(C)(C)C#N)N(c3cccc(OC)c3)C2=O)cc1 741446716 CBNXNAPXXJITOE-KGENOOAVSA-N 435.549 5.121 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 741638959 ZDRIKKDKCJTNNY-CQSZACIVSA-N 444.915 5.407 30 20 IKED C#CCOc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CCOc3ccc(OC)cc32)c1 743147375 OSIQQXGSCIXTFN-RUZDIDTESA-N 442.515 5.265 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@@H](O)c1cccc(Cl)c1 743252644 APNHAMUVOAQTAG-GOSISDBHSA-N 436.364 5.176 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C)c(NC(=O)OC(C)(C)C)c2)cc1 744033917 WYUMFGIGMMNFTM-IERDGZPVSA-N 449.551 5.817 30 20 IKED COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)NCc1cc(C#N)ccc1F 745893374 UIQXBRYLNMAYNV-LJQANCHMSA-N 431.511 5.049 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1 748314330 MFXZYJBFPOWUOL-OAQYLSRUSA-N 427.529 5.320 30 20 IKED N#CC1(c2ccccc2)C/C(=C/c2ccc(Cl)nc2)C(=O)/C(=C/c2ccc(Cl)nc2)C1 749000197 VCFQVNAUWIPOTM-DIEJBQTFSA-N 446.337 6.075 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1 749143013 STZRHLLOHUZKDJ-UHFFFAOYSA-N 449.532 5.084 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@@H](OC(=O)CSc1ccc(C#N)cc1)C(F)(F)F 750198682 PZEJQVRLVQBOMW-OAQYLSRUSA-N 445.466 5.300 30 20 IKED C[C@@H](ON=Cc1ccccc1OC(F)F)c1nnc(-c2ccc(Cl)cc2Cl)o1 757613785 KBLXWURVLFEWDQ-SNVBAGLBSA-N 428.222 5.757 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2COc3ccc(Br)cc32)cc1 758409710 LWNIVQUCSMEPRF-SFTDATJTSA-N 433.305 5.219 30 20 IKED CC(C)(C)Oc1cccc(CCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)n1 758518031 NOOLXVSZCMTSEY-OAHLLOKOSA-N 441.503 5.470 30 20 IKED C[C@H](C[C@H](O)c1ccccc1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 758570328 YXESSFYAHZTOKL-BSDZUQITSA-N 433.939 5.629 30 20 IKED C[C@H](ON=Cc1ccccc1C(F)(F)F)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 760415814 DYVNJUSTCALQMU-JTQLQIEISA-N 430.213 6.174 30 20 IKED N#Cc1cccc(COc2ccc(NCc3nnc(-c4ccccc4Cl)o3)cc2F)c1 760456108 STBNUVMWBSXKGL-UHFFFAOYSA-N 434.858 5.592 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(Cl)c(F)c2)cs1)c1ccc(F)cc1F 765612801 JQGPZOVFHOJTSU-QPJJXVBHSA-N 436.842 5.795 30 20 IKED Cc1cccc([C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2ccccn2)c1 766265522 WJEPNXWUQLZGAH-XNMGPUDCSA-N 432.527 5.957 30 20 IKED O=c1c2cc(Br)ccc2ncn1N=Cc1c(-c2ccccc2)[nH]c2ccccc12 767315170 VHMFGMMSCNVZIP-UHFFFAOYSA-N 443.304 5.190 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1cc(C(=O)OC)co1)C(=O)c1ccccc1 774113718 FAIUUCMYGWXTKO-PXLXIMEGSA-N 431.488 5.096 30 20 IKED C[C@@H](NC(=O)[C@@H](C#N)C(=O)C1CCC(C(F)(F)F)CC1)c1ccc(Cl)cc1Cl 774258520 BMESPOPTJMFQNN-FLRBZUCHSA-N 435.273 5.248 30 20 IKED N#Cc1ccccc1/C=C/C(=O)OCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 775084145 NRYADORAOPZHET-FMIVXFBMSA-N 446.915 5.598 30 20 IKED CCC[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1cccc(C(F)(F)F)c1 775324897 RTWUPLHAHFINBU-MOPGFXCFSA-N 438.453 5.373 30 20 IKED C=CCn1c(SCC(=O)OCCC(C)(C)C#N)nnc1-c1ccc(Cl)cc1Cl 776354249 KQGPBZIWRUFWMR-UHFFFAOYSA-N 439.368 5.013 30 20 IKED CC(C)(C)OC(=O)N1CCc2cc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)ccc21 776883062 UDLLCLCDWUENHT-GOSISDBHSA-N 446.334 5.286 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(COC(=O)c2ccc(C3(C#N)CC3)cc2)cs1 777172368 JLTHXYYBAQJRMM-UHFFFAOYSA-N 431.517 5.048 30 20 IKED COc1ccc2ccccc2c1-c1cc(COC(=O)c2cc3ccccc3n2CC#N)on1 778115396 JAPZPKAOWIJIRG-UHFFFAOYSA-N 437.455 5.339 30 20 IKED N#CCCn1cc(CNc2ccc(OCc3cccc(C#N)c3)cc2)c(-c2ccccc2)n1 779595265 XBLYWKBZTSGPSP-UHFFFAOYSA-N 433.515 5.527 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccccc1O[C@@H](C)C#N 780154519 UTBUACMBTFEAHM-LBPRGKRZSA-N 431.439 5.681 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccccc1O[C@@H](C)C#N 780160090 GDZQDOCGTGYWAM-AWEZNQCLSA-N 439.924 5.505 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCCc3cn(C4CCCC4)nc32)cc1 780486183 QJIOLCZHVHQQFQ-JWQCQUIFSA-N 439.563 5.853 30 20 IKED CC(=NNc1ncnc2cc(-c3ccc(Br)cc3)sc12)c1nccnc1C 783514184 KLDZHTYSGLIJDG-UHFFFAOYSA-N 439.342 5.055 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1 785221261 HTEOVJVCKJMCAN-ZWKOTPCHSA-N 445.544 5.408 30 20 IKED N#C[C@@H]1CC[C@H](Sc2nnc(CSc3nc4ccccc4s3)n2-c2ccccc2)C1 788097379 UXTKUNYEKLVKGP-WBVHZDCISA-N 449.630 5.954 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cc(F)ccc3Br)n2)cc1 790766473 BIDWFWQWCYQJFY-INIZCTEOSA-N 445.313 5.139 30 20 IKED C=CC[C@@]1(C(=O)Nc2ccccc2SC[C@H](C)C#N)CCCN1C(=O)OC(C)(C)C 792534920 FRIWXSBNZKAJLY-HXOBKFHXSA-N 429.586 5.223 30 20 IKED C[C@H](OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccc(NC(=O)c2ccccc2)cc1 796921659 WPRDVAMCLHDYJT-KRWDZBQOSA-N 428.463 5.286 30 20 IKED Cc1nc(SC(F)F)sc1CC(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 796936517 QKHKEEUGEPECJJ-UHFFFAOYSA-N 425.570 5.020 30 20 IKED COc1ccc(CN(CC2CCC2)C(=S)Nc2ccc(C#N)c(Cl)c2)c(OC)c1 800823016 QZHPNTMTUUROLY-UHFFFAOYSA-N 429.973 5.228 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 801628450 HAIIZPBMFRNVER-APWZRJJASA-N 446.617 5.095 30 20 IKED C#CCN(Cc1ccccc1)C(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1 804833800 LNNGKJDWSHXECQ-UHFFFAOYSA-N 437.337 5.007 30 20 IKED C[C@@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1ccc(CNc2ccc(C#N)c([N+](=O)[O-])c2)cc1 811826760 BTLXRNJFWQIMJD-OAHLLOKOSA-N 442.435 5.032 30 20 IKED N#C[C@@H](C(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1)c1cc(C(F)(F)F)ccn1 813214138 TWBLDZVHPFXNFK-NQIIRXRSSA-N 430.426 5.949 30 20 IKED CCOc1ccc(NN=Cc2csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n2)cc1 814983803 FITWWANOLLZAOP-UHFFFAOYSA-N 448.470 5.691 30 20 IKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1C1CC1 916204665 CMVBKXNAOZOHPD-GOSISDBHSA-N 449.910 5.049 30 20 IKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3ccco3)C2=O)cc1 916216553 WHXMXGPKMYQCFE-OAQYLSRUSA-N 433.533 5.057 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)C(=O)Nc1cccc2ccccc12 916915270 BCQIQFJYMBKVPC-IBGZPJMESA-N 445.425 5.053 30 20 IKED N#C[C@H](C(=O)COC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc2ccccc12 916917803 JTEFRKSKTKLPDQ-XMMPIXPASA-N 434.495 5.293 30 20 IKED CCOc1c(Cl)cc(C(=O)[C@H](C#N)C(=O)Nc2ccc([C@@H](C)CC)cc2)cc1OC 916947216 GVZOJZNOMMLZTM-KSSFIOAISA-N 428.916 5.222 30 20 IKED COc1ccc(/C=C/C(=O)c2cc(F)ccc2F)cc1OCc1ccc([N+](=O)[O-])cc1 917044213 PKUNGAMPJYPFME-ONNFQVAWSA-N 425.387 5.357 30 20 IKED Cn1ccnc1COc1ccc(C(=O)/C=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 917517612 JOKDKDWVCBDHGC-BENRWUELSA-N 429.432 5.063 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cs1 917558544 WXHGRDVAHFUHBV-IZZDOVSWSA-N 427.869 5.285 30 20 IKED Cc1ccccc1-c1nnc(S)n1N=Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 918709997 BIUQPBJVFNJJPQ-UHFFFAOYSA-N 445.495 5.567 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(-c3ccccc3)cc2F)cc1C 920853496 DBBLWVWHDGBDSR-UHFFFAOYSA-N 438.506 6.139 30 20 IKED Cc1nc(-c2ccc(CNC(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cc2)cs1 920928858 QYKNLFRTGVCYTF-UHFFFAOYSA-N 445.573 5.359 30 20 IKED C=CCCO[C@@H](C)C(=O)OCc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1 921216986 DMJBZGZDKXMXNZ-LBPRGKRZSA-N 443.352 5.159 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2cc3c(C)cc(C)nc3s2)c1 924851760 RCKJLPQWJLPBDX-GOSISDBHSA-N 435.549 5.022 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CS[C@@H]3CCCCO3)cc2)CCC1 1789550192 OPBJJBZKSLPOOY-FYYLOGMGSA-N 442.625 5.149 30 20 IKED Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc2)c1Cl 1792110118 BUAXNRKDXFSCTR-JFLMPSFJSA-N 449.938 5.108 30 20 IKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccc(C)cc3)CCCCC1)C2 1801698576 YVTAHEXXFZBVLY-KOUNCHBCSA-N 444.566 5.047 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)CCC=C)[C@H]1c1cccnc1 1802492834 QQMMXUWRUHTHDA-YADHBBJMSA-N 425.617 5.072 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)[C@H](c3ccccc3)C(C)C)C2)CC1 1805624360 HLHXLDRSLQDLFJ-DQEYMECFSA-N 436.640 5.426 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cc3c[nH]c4ccc(C)cc34)C2)CC1 1806882085 PZAJMGUSGHWYBO-UHFFFAOYSA-N 449.639 5.242 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2Cl)[C@H]1c1cccnc1 1811699990 KYVOWPCINUAVCY-DENIHFKCSA-N 439.987 5.047 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3cnccc23)n[nH]1 1819126447 WWLRXGCNMWZKAL-JOCHJYFZSA-N 445.567 5.256 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc[nH]c3cc2F)n[nH]1 1820200032 KZHYSHALTSLEJH-JOCHJYFZSA-N 449.530 5.104 30 20 IKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[nH]n1 1822403571 IXHKKAJHGMZQIB-SIKLNZKXSA-N 428.964 5.071 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](F)c2ccccc2)CC1 1824857888 MRGKYIBDQZYCLK-TZRRMPRUSA-N 426.576 5.085 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)cccc2Cl)CC1 1828827852 XOSORJQDYYNQJV-DENIHFKCSA-N 446.994 5.481 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 1829069940 CLVGRYUKRSTRGT-KAMZKSLDSA-N 428.661 5.425 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(Cl)cccc3Cl)CC2)C1 1829900284 GBCMOORQJGIVPN-FQEVSTJZSA-N 435.395 5.193 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc3ccccc3o2)CC1 1830850427 IYDDRDFEWIWLJN-OAQYLSRUSA-N 437.584 5.054 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccncc23)CC1 1830862017 MWFHWRRPUAOGKQ-ZEQKJWHPSA-N 445.607 5.237 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nc2cc(Cl)ccc2c1=O 9353526 YQZZCXKADGRGID-UHFFFAOYSA-N 427.957 5.090 30 20 IKED CCOc1ccc(-n2c(SCc3cc(C#N)ccc3F)nnc2-c2ccncc2)cc1 10250035 FCVBVYBCWAMTES-UHFFFAOYSA-N 431.496 5.031 30 20 IKED Cc1c(C#N)c(NC(=O)CSC2=Nc3ccccc3CS2)n(-c2ccccc2)c1C 21523026 UPXHRDUYMYOAKG-UHFFFAOYSA-N 432.574 5.572 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)(C)C)cc1)=C(/S)Nc1ccc(OC)cc1 22731177 FDPMTBDWLLLUCI-UHFFFAOYSA-O 447.624 5.894 30 20 IKED C=C(C)CN/C(S)=C(/C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccc(C(CC)CC)cc1 22796200 TVUKFJOMQIDVNU-UHFFFAOYSA-O 440.633 5.130 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)cc1 26036523 PUNAXBUYWGNOPU-UHFFFAOYSA-N 443.890 5.194 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1/C(O)=N/c1nnc(-c2ccccc2)s1 28283276 ZSGGDXGBTZQQSY-UHFFFAOYSA-N 426.498 5.324 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cccc(CN2CCCC2)c1 32464336 KROTXZFWLBXXPP-UHFFFAOYSA-N 427.573 5.235 30 20 IKED COCCCCN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 63163216 LKRAOYWCEZEDNZ-UHFFFAOYSA-N 429.520 5.811 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(N3CCc4ccccc4C3)cc2)cc1 63936363 DAZNQBBKHSTMQE-UHFFFAOYSA-N 449.476 5.326 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc(F)c(Cl)cc3Cl)c2)c1 71981337 APDOQUCCZZJRTB-UHFFFAOYSA-N 428.250 5.509 30 20 IKED Cc1ccc(N2CCC(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)nc1 195633888 YDGHHMNYQZTZLV-UHFFFAOYSA-N 426.520 5.218 30 20 IKED CN1/C(=C/C(=O)CSc2nnc(-c3ccccc3Cl)o2)C(C)(C)c2ccccc21 209933245 NDVGENYPBVMFMV-XDHOZWIPSA-N 425.941 5.363 30 20 IKED C=CCn1c(SCCC(=O)Nc2ccccc2C#N)nnc1-c1ccc(C(C)(C)C)cc1 248160975 GYPRFARDSANADU-UHFFFAOYSA-N 445.592 5.421 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 303680192 MDQSBXVMNQIVOA-UHFFFAOYSA-N 440.384 5.138 30 20 IKED Cc1c(C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)sc2ccc(C#N)cc12 429846322 AFJILUGSPVMPFI-KRWDZBQOSA-N 427.529 5.546 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)s1 430623369 NBWOOCVEZHDERD-SNVBAGLBSA-N 435.887 5.102 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C#N)c2C)cc1NC(=O)c1ccc(Br)cc1 431862528 YKJZLHOFEJUJQI-UHFFFAOYSA-N 448.320 5.442 30 20 IKED N#CCSc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 432224464 AFXLGDMZXRQBFO-INIZCTEOSA-N 444.368 6.223 30 20 IKED N#CCCC[C@@H](NCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccccc1 433028764 PXVUEFXQYMMTCQ-LJQANCHMSA-N 426.492 5.052 30 20 IKED Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)N[C@H](CCCC#N)c1ccccc1 433152890 NMFKCAVDYPKFGU-JOCHJYFZSA-N 429.568 6.035 30 20 IKED Cc1ccc(OCc2nnc(SCCC(C#N)(c3ccccc3)c3ccccc3)o2)cc1 434642485 IJRMDWGVYZQPBN-UHFFFAOYSA-N 441.556 5.949 30 20 IKED Cc1cc(S(C)(=O)=O)cc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C 435083630 FJTCUAWLXNRLAL-SFHVURJKSA-N 447.560 5.128 30 20 IKED CC[C@@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 435616835 LTYJCBSKKKINOL-JOCHJYFZSA-N 445.519 5.164 30 20 IKED CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)Nc1ccccc1S[C@@H](C)CC#N 438040896 VMGOOHFRPXFMQG-RBBKRZOGSA-N 436.625 5.457 30 20 IKED CCCc1c(NC(=O)c2cc(C)n(-c3ccccc3Cl)n2)cnn1-c1cccc(C#N)c1 440103718 WNCRCLMESQWNHU-UHFFFAOYSA-N 444.926 5.096 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CCCO)[C@@H]1CCc2ccccc21 444020329 BWFJVAWQINOCHH-AREMUKBSSA-N 441.531 5.563 30 20 IKED CC1CCC(N(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@@H]2CCCO2)CC1 444196918 QOWDMJGYTJHYCD-MAHYXTOZSA-N 429.630 5.079 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)NC1(c2cccc(C(F)(F)F)c2)CCCCC1 460441143 UBBZRQOYJGBDAQ-UHFFFAOYSA-N 446.517 5.341 30 20 IKED COc1ccc(C(C)(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1OC 466337154 MPDGKJYOLPDZEP-UHFFFAOYSA-N 448.494 5.210 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n1 467824458 UMLQLKCUOSKPRA-OAHLLOKOSA-N 429.910 5.654 30 20 IKED N#Cc1cccc(-c2nnc(CNc3ccccc3C(=O)Nc3ccc(Cl)cc3)o2)c1 471616802 CRFZPJVLTLLUEF-UHFFFAOYSA-N 429.867 5.126 30 20 IKED Cc1ccccc1-c1noc(C)c1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 475119317 LPAVIBNNYPPVJF-UHFFFAOYSA-N 447.545 5.226 30 20 IKED CC(C)(O)COc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 475493414 PBHGCLHIQCKEGO-UHFFFAOYSA-N 432.545 5.253 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc(-c3ccccc3C)nc2C)cc1 478066440 LZOHOVXVUXWZNB-UHFFFAOYSA-N 431.561 5.493 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H]2CCN(c3ccccc3)C2)cc1 478189862 IUIAAKQSNQHUNN-JOCHJYFZSA-N 427.573 5.107 30 20 IKED CN(Cc1ncc(-c2ccccc2)[nH]1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 478721368 SVIMWXVCIGQTKJ-UHFFFAOYSA-N 441.466 5.544 30 20 IKED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)cc1 481029735 BISVVSJFPINROK-IIBYNOLFSA-N 445.972 5.175 30 20 IKED CC(C)N(Cc1nc(O)c2ccccc2n1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 481995383 ZPEXJBRRMJOFHD-UHFFFAOYSA-N 438.487 5.050 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N(CCC(F)(F)F)Cc3ccccc3)cc2)nc1 482379804 NLDPHXDZBQVSQW-UHFFFAOYSA-N 425.410 5.340 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)c1nccc2ccccc12 483232805 HOWYAUKOZHRYBK-QFIPXVFZSA-N 434.430 5.581 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CSc2ccc(Br)cc21 488312595 VHIJCKHZDCBRRL-MLGOLLRUSA-N 448.411 5.669 30 20 IKED Cc1cc(N2CCCCCC2)ccc1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 489426864 DHOMCSWJEUMMMT-UHFFFAOYSA-N 447.583 5.154 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(C)cc2Cl)nnc1-c1cccc(Cl)c1 489640861 LCJNUVLFORZIPZ-UHFFFAOYSA-N 433.364 5.477 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)nnc1-c1ccco1 489658269 BVEUSMOCFUZWCW-VQTJNVASSA-N 436.581 5.049 30 20 IKED C=CCOc1ccc(-c2nnc(SCCC(=O)Nc3ccc(OC)c(Cl)c3)o2)cc1 489776613 IXFDAYCFKITVPC-UHFFFAOYSA-N 445.928 5.084 30 20 IKED N#Cc1ccccc1-c1ccc(CS(=O)(=O)Cc2csc(Cc3ccccc3)n2)cc1 494702734 LSMJBXSJPDRIJQ-UHFFFAOYSA-N 444.581 5.388 30 20 IKED Cc1cc(-c2cc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)c3c(C)noc3n2)c(C)s1 498675699 YKBXSMRPMSFNPQ-KRWDZBQOSA-N 441.516 5.253 30 20 IKED CCNC(=O)c1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 499536105 HSIDFOLBQYLFEH-JOCHJYFZSA-N 446.938 5.067 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cc(C)cc3c(C)c(C)[nH]c23)cc1 501130050 BNVJJNQLNXBCDV-UHFFFAOYSA-N 430.552 5.229 30 20 IKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 503869271 FLDBPEULAKBCCE-UHFFFAOYSA-N 438.314 5.758 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)CCOc2ccc(F)cc2)cc1 508261335 YXRFVAFIJKHQDG-UHFFFAOYSA-N 435.455 5.041 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(S(=O)(=O)C(C)C)cc1 510252682 FWCWQXQGFAAETE-UHFFFAOYSA-N 434.517 5.093 30 20 IKED CN(CCc1cccc2ccccc12)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 510615857 MWLRULIKWAUXCU-UHFFFAOYSA-N 426.545 5.465 30 20 IKED C=CCOc1cccc(NC(=O)N[C@@H](C)c2ccc(OCc3ccncc3)c(OC)c2)c1 510687143 YHKWUHKZOYVSQZ-SFHVURJKSA-N 433.508 5.117 30 20 IKED C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@@H]1CCCN(C2CCC2)C1 511246413 CPCJSRSYLODPNP-NZQKXSOJSA-N 446.595 5.106 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc3c2CN(CC(C)C)C3)cc1C 511411352 ARBGAHXZJQNONK-UHFFFAOYSA-N 441.579 5.305 30 20 IKED Cc1sc(NC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c(C#N)c1C 512374096 DHDVQXRTWJBKMK-UHFFFAOYSA-N 429.501 5.416 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Oc4ccncc4)c(Cl)c3)n2)cc1 512943230 MLHNOVOZXKRMQN-IBGZPJMESA-N 445.931 6.449 30 20 IKED Cc1ccc(OCc2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)c2)cn1 512948152 NEEBARWGGNSLSS-JOCHJYFZSA-N 425.513 5.583 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(OC(F)F)c(F)c2)cc1 513983166 MIDHHHDNPLBCFF-UHFFFAOYSA-N 443.400 5.672 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCc3ccccc3Br)c2)c1 515449613 WPBQJQPMVSBEQN-UHFFFAOYSA-N 448.320 5.144 30 20 IKED CCCn1c(C)c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c2cc(OC)ccc21 515540189 ISKFINZOXKYZKZ-QGZVFWFLSA-N 436.462 5.603 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1cccc(N2CCCC2=O)c1 517335680 DCNNENVMJFLQBY-KRWDZBQOSA-N 443.478 5.107 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 517527053 IOPBZYHWUZJNFW-HNAYVOBHSA-N 427.957 5.036 30 20 IKED Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 518467743 LKOCZLDMOPENJX-QHCPKHFHSA-N 441.556 5.015 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1C 520470911 ZDWNDDRHIDYKDK-SFHVURJKSA-N 425.517 5.180 30 20 IKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 520924500 ZJNJZOSQBBGMQU-DLBZAZTESA-N 427.595 5.088 30 20 IKED COCCN(C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[C@H](C)c1ccccc1 521841990 CVRCJZZSTMROQA-LJQANCHMSA-N 442.519 5.052 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)cc2)nc1 521962489 FXUAZEGMHYUSBR-LJQANCHMSA-N 440.528 5.375 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NC3(c4ccccc4)CCOCC3)c2)cc1 522131888 MMYWVBXJXOJBOE-UHFFFAOYSA-N 441.531 5.159 30 20 IKED N#CC1CCN(C(=O)NCc2ccc(Oc3ccc(F)c(F)c3)cc2C(F)(F)F)CC1 523678446 XDEBIQYEYMKCFJ-UHFFFAOYSA-N 439.384 5.221 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c12 524100996 HIRPBBNXZWWKLJ-UHFFFAOYSA-N 428.492 5.530 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@H](c4ccccc4)C3)cc2Cl)c1 524439143 JEDVBKWIBBLABE-NRFANRHFSA-N 431.923 5.812 30 20 IKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccc(Cl)c(C#N)c1)CC2 539783125 FHCOBSHINXBLHL-QFIPXVFZSA-N 438.936 5.078 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N(Cc2ccccc2)CC2CCOCC2)cc1 540309674 IFVWIOJQCCQWDQ-UHFFFAOYSA-N 439.559 5.364 30 20 IKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 540980217 KWQZJHINHWIOHU-UHFFFAOYSA-N 442.498 5.084 30 20 IKED C[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-c2cccc(C#N)c2)cc1 541084340 GHVGQAGVOIIKKL-MRXNPFEDSA-N 425.448 5.034 30 20 IKED N#CCC1CCN(C(=O)Nc2ccc(Oc3ccnc4cc(Cl)ccc34)c(F)c2)CC1 541969802 LKMMMCWZQRBTQH-UHFFFAOYSA-N 438.890 5.977 30 20 IKED C[C@@H](N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-c2cccc(C#N)c2)cc1 543874795 QDWLWEROPAUWPZ-IAGOWNOFSA-N 439.475 5.595 30 20 IKED Cc1cccc([C@@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c2ccccn2)c1 543891784 JBWSJNDEJDRWPG-HSZRJFAPSA-N 442.910 5.012 30 20 IKED COc1cc(C#N)ccc1NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 545297845 GTAMMLCAUYQNGL-UHFFFAOYSA-N 428.423 5.039 30 20 IKED Cc1ccc(-c2noc(CCC(=O)N(CCC#N)c3ccccc3)n2)c(OC2CCCC2)c1 545762045 FZFJMAPHUNETQE-UHFFFAOYSA-N 444.535 5.246 30 20 IKED CCOc1ccc(Br)cc1-c1noc(CSCc2ccc(C#N)cc2)n1 547046233 LFWOWBUUGIOATI-UHFFFAOYSA-N 430.327 5.203 30 20 IKED N#CC1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2cccs2)CC1 549575695 PMLDVVVWLSIIRT-UHFFFAOYSA-N 448.379 5.014 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC(OC(C)(C)C)CC1 549691536 IRCBKIOEDIMWNG-LJQANCHMSA-N 442.604 5.177 30 20 IKED C[C@@H](Cc1cnc2ccccc2n1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 549822213 OIFYSLWFCQAZKX-IBGZPJMESA-N 436.515 5.092 30 20 IKED Cc1ccccc1-c1nc(C)c(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)s1 552688043 ZJHNVAMDFNFUPK-UHFFFAOYSA-N 435.524 5.121 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C 553121207 OTAFOKCBZHSPCU-UHFFFAOYSA-N 439.991 5.067 30 20 IKED C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(OC2CCCC2)CC1 555255280 BHWDJMLHZBSUMK-UHFFFAOYSA-N 433.556 5.104 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](Sc1ccccc1F)c1ccccc1 557587071 FXQNWQNRYDHCNS-HSZRJFAPSA-N 425.525 5.349 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)[C@H]3CCn4c(cnc4C4CCCCC4)C3)cc2)ccn1 564549990 RREDPBLXDQGMQU-IBGZPJMESA-N 441.535 5.191 30 20 IKED C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 567523214 QLCYCRLFEOJEEX-QLCIJSRNSA-N 448.514 5.085 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@@H]3CCO[C@@H]3c3ccc(Cl)cc3)cc2)ccn1 568144740 YSVPHVMFASXNSY-FGZHOGPDSA-N 434.883 5.051 30 20 IKED Cc1ccc(-c2nc(O)n[nH]2)cc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 573044515 BHNKLTIEBRJLRI-UHFFFAOYSA-N 445.866 5.055 30 20 IKED Cc1cc(C)c(-c2csc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)n2)c(C)c1 580388967 URMSJZXXMYUICI-UHFFFAOYSA-N 441.560 5.765 30 20 IKED C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 582091055 YZLZBPCVRNTVCI-GOSISDBHSA-N 432.446 5.231 30 20 IKED Cn1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C2CCCCC2)n1 588739159 XMUYGJDZFGRVEN-AWEZNQCLSA-N 432.471 5.586 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1 594927453 UKDYJZSDMJGNCV-UHFFFAOYSA-N 438.524 5.020 30 20 IKED CCN(Cc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1)C(C)=O 603611528 QYUIFHSOXJMMOA-UHFFFAOYSA-N 443.572 5.471 30 20 IKED C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 603758685 ATVDARRDXXSEGY-AVIJNYRZSA-N 443.934 5.842 30 20 IKED C=CCN(C(=O)c1oc2c(F)cccc2c1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603882186 WJKCUIJWCGJSLP-UHFFFAOYSA-N 437.452 5.745 30 20 IKED Cc1cc(N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c2cc(OC(F)F)ccc2n1 607144015 WVCSZBSOVFSPAB-QWRGUYRKSA-N 428.323 5.712 30 20 IKED N#Cc1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1Cl 608840255 JHIOGPQMLMMRIC-OAHLLOKOSA-N 442.306 5.327 30 20 IKED CN(Cc1cc(Br)cs1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609208688 ASAJLZNFFRVUNS-UHFFFAOYSA-N 442.338 5.838 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)c2)cc1 609208985 MTSGIGNHXXAMEG-JOCHJYFZSA-N 440.528 6.329 30 20 IKED CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609433876 JAPXWBZJDYPCCQ-UHFFFAOYSA-N 430.464 5.701 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)c1C 610053850 YZTDLPNGRMDLLA-UHFFFAOYSA-N 444.441 5.684 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)c(C(F)(F)F)c1 610386640 GUVKGGVUWASFEY-KGLIPLIRSA-N 449.498 5.284 30 20 IKED CC(C)OC1CCC(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 611049051 IVRVBAQAIGNPOM-UHFFFAOYSA-N 441.959 5.648 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 611205944 BLVIOBZVBBQHLH-HNNXBMFYSA-N 441.578 6.134 30 20 IKED Cc1cccc([C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c2ccccn2)c1 611225655 PRISAJVMHZENKR-VWLOTQADSA-N 435.487 5.360 30 20 IKED N#Cc1ccc(CCC(=O)N[C@@H](CC(F)(F)F)c2ccc(Br)cc2)cc1 612502353 XICUROMEKCIDON-KRWDZBQOSA-N 425.248 5.063 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)NC1(c2ccc(F)cc2F)CCC1 677825067 HCBAZGLCZOLMQC-QWRGUYRKSA-N 444.366 5.553 30 20 IKED C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 685695366 KULFNILIOBGSLS-WDEREUQCSA-N 438.347 5.225 30 20 IKED COc1cc(C=NN=C2c3ccccc3-c3ccccc32)ccc1OCc1c(C)noc1C 725797905 MROYLZYBTZMMTF-UHFFFAOYSA-N 437.499 5.731 30 20 IKED Cc1ccc(N(CCC#N)C(=O)Cc2csc(-c3cc(Br)cs3)n2)cc1 726940175 MEDCVQHVWXAIDX-UHFFFAOYSA-N 446.395 5.432 30 20 IKED COc1cccc2cc(C(C)=NNc3ccc(S(=O)(=O)Nc4ccccc4)cc3)oc12 727058667 UDOFXPFFEACWMG-UHFFFAOYSA-N 435.505 5.078 30 20 IKED C=CCOc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccccc3)s2)cc1Cl 727263805 IQFUGQWHSCIMKK-VBKFSLOCSA-N 432.332 5.746 30 20 IKED CCOc1c(OC)cc(/C=C\C(=O)c2sc(-c3ccc(F)cc3)nc2C)cc1OC 727267654 MVKIRNDTLGYPEI-WDZFZDKYSA-N 427.497 5.570 30 20 IKED COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1SC 728466650 ZDUSDAXUCKVPBO-LJQANCHMSA-N 433.489 5.233 30 20 IKED Cc1ccc(-c2csc3nc(/C(Cl)=C/c4ccc(O[C@H](C)C#N)cc4)nc(O)c23)cc1 728696019 KLVWURIVXSQDED-UWOKGBPVSA-N 447.947 6.400 30 20 IKED C[C@H](OC(=O)c1ccc(-c2ccc(F)cc2)cc1F)C(=O)N(CCC#N)c1ccccc1 730057629 SJLSGABKSPNDAJ-KRWDZBQOSA-N 434.442 5.124 30 20 IKED Cc1cc(Cl)ccc1O[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C)c1ccccc1 730394348 HMCPHCQKYCSSIZ-YADARESESA-N 429.907 5.532 30 20 IKED Cc1ccc(Cn2nc(C)c(CCC(=O)[C@@H](C#N)c3nc4ccccc4s3)c2C)cc1 730395232 QTYYKOHBQFRYFS-OAQYLSRUSA-N 428.561 5.275 30 20 IKED N#C[C@H](C(=O)C1(c2ccc(Br)cc2)CCCC1)c1nc2cc(F)ccc2s1 730420419 DNNQEWDUIFMRAJ-MRXNPFEDSA-N 443.341 5.886 30 20 IKED C/C(=C/C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccccc1Cl 731081075 VMPVTDDVOKRBHJ-CNYBTUBUSA-N 428.941 5.177 30 20 IKED COc1ccc2cc(/C=C/C(=O)N[C@H](C#N)c3ccc(OC(F)(F)F)cc3)ccc2c1 731197121 OFXXLJXVSAKNBY-XUTHQZMASA-N 426.394 5.141 30 20 IKED N#CC1(C(=O)Nc2ccc3nc(NC(=O)C4(C#N)CCCCC4)ccc3c2)CCCCC1 731476023 QSGDRNYKUMEUMH-UHFFFAOYSA-N 429.524 5.060 30 20 IKED COc1ccc(OCc2nc(/C=C/C(=O)c3nc(-c4ccccc4)cs3)cs2)cc1 732571108 MIERYBGGBSCUOF-KPKJPENVSA-N 434.542 5.750 30 20 IKED COc1ccc(CCNN=Cc2c(C)nn(-c3cccc(C(F)(F)F)c3)c2Cl)cc1 737439930 PAJMYWQIIULXSA-UHFFFAOYSA-N 436.865 5.028 30 20 IKED CC(C)(C)OC(=O)NC1CCC(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 740434217 BGTHACHWNPJOIZ-VNXZQDSDSA-N 448.567 5.299 30 20 IKED CCOC(=O)/C=C\c1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 740435946 XQIZOMZECQDYOU-JYRVWZFOSA-N 431.517 5.185 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)cc1 741059511 SQYAMLWIMSGUHE-GHTZIAJQSA-N 440.330 5.504 30 20 IKED CCOc1ccccc1-c1nnc(S)n1N=C(C)c1cnn(-c2cc(C)ccc2C)c1C 741758714 GFKZKODCSSMWPA-UHFFFAOYSA-N 446.580 5.016 30 20 IKED C=CCn1c(SC[C@H](O)c2ccccc2C)nnc1-c1ccc(Br)cc1 743253988 YKHYBOQXGUBEOV-SFHVURJKSA-N 430.371 5.028 30 20 IKED Cc1cccc(COc2c(C)cc(C=Nn3c(S)nnc3[C@H]3CCCCO3)cc2C)c1 743452806 ZCUJGMHBTJQUDU-OAQYLSRUSA-N 436.581 5.195 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)OCc3ccccc3OCC(F)(F)F)cc2)nc1 745001980 JEWNZZUFUIGLRM-UHFFFAOYSA-N 428.366 5.044 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cccc(-c3ccccc3)c2)cs1 746346265 OGIUWDRVKDJHMT-SSZFMOIBSA-N 438.552 6.699 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)n1 747195882 AXBBHPWVGIWVPL-YGQKLEOUSA-N 441.984 5.191 30 20 IKED CC(=O)C1=C(c2ccc(C)cc2)N(Cc2cccs2)C(=O)N[C@H]1c1cc(C#N)cs1 747960144 PAJUSVVFDOGFMR-NRFANRHFSA-N 433.558 5.257 30 20 IKED CCc1nc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nn1-c1ccccc1Cl 748176214 RLPBUHMZSKTKQE-HXUWFJFHSA-N 441.922 5.391 30 20 IKED CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)N[C@@H](CCC#N)c2ccccc2)C1 748610894 UPYJPDYTTXQOJC-NRFANRHFSA-N 434.540 5.146 30 20 IKED CN(C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C1CCCCCCC1 749041885 UFOTXWIVRNXNLS-JOCHJYFZSA-N 437.971 5.505 30 20 IKED COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)Nc2cccc(OCC#N)c2)c1 752499680 JKMZIQBRBZTBJW-LOSJGSFVSA-N 427.504 5.360 30 20 IKED C[C@H](ON=Cc1ccc(N2CCOCC2)cc1)c1ncc(-c2ccc(Cl)cc2Cl)o1 753822312 SYWIEIQJHIFMQF-HNNXBMFYSA-N 446.334 5.597 30 20 IKED N#Cc1cc(C(F)(F)F)ccc1C(=O)OCc1nnc(-c2ccc(Cl)cc2Cl)o1 758123582 ZPRFELKRUVYZRU-UHFFFAOYSA-N 442.180 5.291 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)Nc3cccc(CSCc4ccccc4)c3)CCO2)c1 761858965 BWASQNMQZOFPDP-VWLOTQADSA-N 443.572 5.597 30 20 IKED CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 765589689 FQYVWTOHXPPKAB-CJNGLKHVSA-N 447.438 5.668 30 20 IKED N#CC1(CSc2nnc(CSc3nc4ccccc4s3)n2Cc2ccccc2)CC1 766784241 UMGHVQCEOWUSET-UHFFFAOYSA-N 449.630 5.624 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](CC(F)(F)F)c2ccccc2C)ccc1OC 770613264 XDJZMBCFGURAPP-HKUYNNGSSA-N 449.473 5.178 30 20 IKED N#Cc1ccccc1NC(=S)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 777499506 DLGTUIHQAAKDEA-OAHLLOKOSA-N 428.277 5.301 30 20 IKED C=CC[C@@H](OC(=O)[C@H](C)SCc1nc(O)c2c(C)c(C)sc2n1)c1ccccc1 778740199 VULJEIFHRQEPRT-DOTOQJQBSA-N 428.579 5.496 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 780148703 NLECGZPDRHMUQX-CYBMUJFWSA-N 425.897 5.197 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 780166067 TZBQMHGKNHYMEK-CQSZACIVSA-N 440.425 5.312 30 20 IKED CC[C@@H](C)c1ccc(-c2cc(C(=O)[C@@H](C#N)C(=O)c3nccn3C)c3ccccc3n2)cc1 780445819 SSXDFTXTVGLENX-VGOFRKELSA-N 436.515 5.354 30 20 IKED N#Cc1ccc([C@@H](O)C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCC3)cc1 780936519 BGDJZLPTKNZPKU-HXUWFJFHSA-N 431.542 5.057 30 20 IKED CC(C)(C#N)CCCOC(=O)c1ccccc1NC(=O)c1ccccc1Br 782482128 KOSPXEHXZRRORZ-UHFFFAOYSA-N 429.314 5.188 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2cn(-c3ccc(Cl)c(Cl)c3)nn2)S1 783698211 YPTRSLSZRALGQE-CAOOACKPSA-N 444.347 5.083 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)CCN1c2ccccc2Sc2ccccc21 784688334 MICHWRAJCYCFKE-UHFFFAOYSA-N 445.544 5.215 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(Br)cc3nc[nH]c23)cc1 800415618 UWZMULNBOFAVOV-IBGZPJMESA-N 431.293 5.233 30 20 IKED COc1cc(/C=C/C(=O)c2ccnc(O)c2)ccc1OCc1ccc(Br)cc1 806555761 IPODDQHJPNUHAS-XBXARRHUSA-N 440.293 5.033 30 20 IKED C=CC[C@H](NC(=O)N[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21)c1ccncc1 812047479 HKSZWJFSJKFJPC-AZUAARDMSA-N 439.357 5.319 30 20 IKED COc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915353765 WXGBGNNNZYUBIO-RRPNLBNLSA-N 439.559 6.500 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(C2CC2)C1=O)Nc1ccccc1 916213213 BTUJGUGYSSQFTB-KRWDZBQOSA-N 434.348 5.116 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2n1 916848674 MSUNYEQFVCPJOR-KKSFZXQISA-N 438.314 5.023 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)c1 916898093 ZCNQDPYWFVRRDT-LJQANCHMSA-N 444.878 5.055 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C3SCCCS3)cc2)cc1 916914425 LCRULAJFTHAOER-OAQYLSRUSA-N 438.618 5.859 30 20 IKED N#C[C@H](C(=O)CSc1cc(Cl)ccc1Cl)C(=O)Nc1cccc2ccccc12 916916330 RVXLRVRKHSEAGU-MRXNPFEDSA-N 429.328 5.586 30 20 IKED C[C@@H](Sc1ccc(Br)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 917026269 DGDFTHZWYOXOIG-CXAGYDPISA-N 443.391 5.930 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\Oc3cc(O)cc(C)c3C2=O)cs1 917560575 RQJWGARPVPWILK-LSCVHKIXSA-N 426.881 5.111 30 20 IKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccsc1 917665088 SYPFANXYPUFRIY-HXUWFJFHSA-N 435.574 5.217 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 920143063 TXLNBDOGHYEMBK-LJQANCHMSA-N 444.516 5.519 30 20 IKED CCOc1ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1OCC 920984292 CBXJMHZZJUDTGL-UHFFFAOYSA-N 437.352 5.220 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)COCc3ccccc3)cc2)CCC1 1787890245 UAOXYCLAANLMRX-UHFFFAOYSA-N 432.564 5.106 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@H]4c4ccc(Cl)cc4)cc3)CCC2)CCC1 1789154094 KMAQZGMUXZHTFO-VXKWHMMOSA-N 447.966 5.271 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3cccc(C)n3)CCC2)cc1 1789453288 UIVNBFFEVNMDIQ-DEOSSOPVSA-N 431.580 5.225 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3NC(C)=O)CCC2)cc1 1789454814 FBLKXONZNSPKHM-JOCHJYFZSA-N 445.563 5.161 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cccc4cnccc34)CCC2)cc1 1791298562 BUJKDORGLULUPS-UHFFFAOYSA-N 435.474 5.194 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@H](CC)CC3)cc2)CCC1 1791463093 PBQCHAFJKBUYMQ-MEMLXQNLSA-N 426.601 5.320 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1)C2 1798592710 DJAPQSUOQVXVIH-YHINDDMVSA-N 429.004 5.074 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc4cc(F)ccc4[nH]3)CC2)C1 1804862760 ZWZLRICRIBJHOP-UHFFFAOYSA-N 439.575 5.144 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(C)cccc3[nH]2)[nH]n1 1814829428 QJORLNGGPWZHFH-QHCPKHFHSA-N 445.567 5.274 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2F)[nH]n1 1814830321 UEVMINFJQFRXGD-JOCHJYFZSA-N 449.530 5.104 30 20 IKED Cc1ccsc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1825787024 UXJUNYLLDSAGRY-WMZHIEFXSA-N 449.620 5.231 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3cccnc23)CC1 1828038352 UDJRIGUQZAQLSG-UKILVPOCSA-N 445.607 5.237 30 20 IKED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)C1 1844634756 HHGMIUKFRZSWQV-UHFFFAOYSA-N 445.563 5.237 30 20 IKED C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccc(Cl)cc1Cl 9826132 USDSPOBCVMXBIG-UHFFFAOYSA-N 447.391 5.786 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2ccc(F)c(Cl)c2)c1 10755719 GPVVNWUBKMVMJX-UHFFFAOYSA-O 444.895 5.034 30 20 IKED N#Cc1c(NC(=O)CCN(Cc2ccco2)Cc2cccs2)sc2c1CCCC2 11434509 KKHIJWBAUWTNLG-UHFFFAOYSA-N 425.579 5.184 30 20 IKED CCN(CC)c1ccc(-c2nnc(SC[C@H](C#N)CCC#N)n2-c2ccccc2C)cc1 15244836 GYEOYEJRZRHGNK-FQEVSTJZSA-N 444.608 5.625 30 20 IKED CCn1c(S[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccc(Cl)cc1 16755172 DQZABAVIKRTARM-LBPRGKRZSA-N 446.363 5.263 30 20 IKED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 22112918 ZLCQAQHKKJYUSH-PUAOIOHZSA-N 449.938 5.155 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc3c(c2)CCCC3)cc1 22696268 SEOLLXUEBKUAAY-UHFFFAOYSA-O 449.571 5.442 30 20 IKED C[C@@H](NC(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1)c1ccc(C#N)cc1 26128457 IPWYDYNKPGJLPG-WXTAPIANSA-N 425.557 5.546 30 20 IKED CC[C@@H](NC(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N)c1ccc(Cl)cc1 26142657 GWRXMTFDCWMZEV-MRXNPFEDSA-N 427.879 5.294 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1SCc1csc(C)n1 62889337 MHMGAAXEJRAKDE-UHFFFAOYSA-N 439.562 5.480 30 20 IKED N#C[C@@H](C(=O)c1cc(F)cc(Br)c1)c1nc(-c2c(F)cccc2F)cs1 64715190 FNSPTQYVVYYJEY-LBPRGKRZSA-N 437.240 5.480 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1cccc(Cl)c1 216421310 PXLFPZGVVVPSBB-HNNXBMFYSA-N 440.956 5.106 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNCc2ccc(OCc3cn4cccc(C)c4n3)cc2)c1 237024474 MQHRAYDZNPHNKO-DEOSSOPVSA-N 440.547 5.193 30 20 IKED N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn23)C1 301614666 IHFLTQNSQUFYBB-LBPRGKRZSA-N 439.363 5.023 30 20 IKED Cc1nc(CCC(=O)[C@H](C#N)c2nc3ccccc3[nH]2)oc1-c1ccc(Br)cc1 303253355 BUBHNPVEOGQGGM-INIZCTEOSA-N 449.308 5.098 30 20 IKED CC(C)(c1ccccc1)c1nnc(NC(=O)c2occc2COc2cccc(C#N)c2)s1 303330444 UDELOBVTGIKYCY-UHFFFAOYSA-N 444.516 5.160 30 20 IKED Cc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cc1OC(C)C 427865300 NDBZEDKXLJNUMA-UHFFFAOYSA-N 429.476 5.023 30 20 IKED N#CCCn1ncc(C(=O)Nc2nc(/C=C\c3ccccc3)cs2)c1-c1ccccc1 428724023 VBOOSCNQIBVTLD-SEYXRHQNSA-N 425.517 5.343 30 20 IKED N#CCCn1ncc(C(=O)Nc2cccc(CSC3CCOCC3)c2)c1-c1ccccc1 428726779 AGUKQBSULFCELS-UHFFFAOYSA-N 446.576 5.128 30 20 IKED COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1sc2ccc(C#N)cc2c1C 429928807 FXLRMPAVRZPMJF-UHFFFAOYSA-N 434.439 5.378 30 20 IKED Cc1cc(Br)cnc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 430088547 KIFZUJGLBZEMKS-UHFFFAOYSA-N 426.245 5.208 30 20 IKED CC1(C)CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@H]1c1ccncc1 432791672 HKAHAEPPBAFLEA-QHCPKHFHSA-N 430.483 5.286 30 20 IKED N#Cc1ccsc1N1CC[C@@H](Nc2ccccc2Oc2ncc(Cl)cc2Cl)C1=O 433708910 LGLMZRZJLJKMIT-MRXNPFEDSA-N 445.331 5.331 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](Cc1ccccc1F)C(C)=O 436134802 PUWGSGIQOHETII-FQEVSTJZSA-N 445.947 5.128 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)cc2)cc1 436312414 ZXWJCTJFDIPQCY-UHFFFAOYSA-N 431.451 5.598 30 20 IKED C=CCn1c(SCc2csc(-c3ccc(O)c(OC)c3)n2)nnc1-c1cccs1 436737641 LXKBFYQWWGZGOD-UHFFFAOYSA-N 442.591 5.323 30 20 IKED CC[C@@](C)(NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nc(C)cs1 437739034 VTENLKAJAKYDEN-AUSIDOKSSA-N 438.984 6.207 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](Cc2ccccc2)C1 437979395 OVQCMZJNDRFEQW-HSZRJFAPSA-N 425.532 5.542 30 20 IKED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 437996769 BYGSJOMWSFSSJP-BWAGFHJFSA-N 448.485 5.084 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(Cl)ccc1N1CCSCC1 438185562 CORLLLUCJHTLJY-FPOVZHCZSA-N 441.000 5.197 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2coc(-c3cccs3)n2)cc1F 438657668 SRHNJDDDUVNRIK-UHFFFAOYSA-N 434.452 5.528 30 20 IKED COc1ccc(C[C@@H](NC(=O)N[C@H](CCC#N)c2ccccc2)c2ccccc2)cc1OC 438862301 VGNUOKJWMDJPOV-DNQXCXABSA-N 443.547 5.332 30 20 IKED N#CC1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1 441136133 PBFWMASSLULTHS-UHFFFAOYSA-N 429.929 5.459 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)CCc2cccc(C(F)(F)F)c2)c1C#N 445562661 FSUDUCQYOZXUHZ-UHFFFAOYSA-N 430.455 5.056 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1c(F)cc(F)cc1-c1ccccc1)c1ccccc1 446023959 LJTDGHKNSMHQSQ-UHFFFAOYSA-N 433.458 5.297 30 20 IKED N#CCCCn1cc(C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)c2ccccc21 447547344 CFONYZRWUNRLRH-UHFFFAOYSA-N 437.425 5.402 30 20 IKED CC[C@@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1nc(C(F)(F)F)cs1 465258758 DLKWEHVPWIQAIU-QGZVFWFLSA-N 445.466 5.494 30 20 IKED COCc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)o1 467169689 MVKHCKWFPXQNQI-DEOSSOPVSA-N 445.519 5.440 30 20 IKED N#CC[C@@H](CC(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1)c1ccccc1 475451889 HQLWWELSGSYYEF-DEOSSOPVSA-N 437.543 5.235 30 20 IKED CC(C)OCc1ccc(CNC(=O)CNc2cccc(Oc3ccc(C#N)cc3)c2)cc1 476388114 IGFVFFIREFKIER-UHFFFAOYSA-N 429.520 5.004 30 20 IKED COCC[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccc(C)o1 477543019 OIBMBSPSVALIDN-HSZRJFAPSA-N 433.508 5.246 30 20 IKED C=C(C)[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(F)c(F)c1 477665485 KSAGQRADCVOOAX-INIZCTEOSA-N 432.776 5.009 30 20 IKED COc1ccc([C@H](NCc2ccc(C#N)c(F)c2)c2ccccc2)cc1Br 479487869 FTFQNFSUZRPHIE-JOCHJYFZSA-N 425.301 5.348 30 20 IKED C[C@@H]1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)[C@H](c2ccco2)C1 480386460 TVCLUDGXCUZJRQ-DVECYGJZSA-N 429.520 5.930 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(NC(=O)CCC)ccc1Cl 480915897 YRMWJUVBVZBCSW-UHFFFAOYSA-N 426.369 6.014 30 20 IKED CC(C)(C)OCc1cc(CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)no1 485543661 BXKWKRGTZFRTSX-UHFFFAOYSA-N 439.899 5.237 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)nnc1-c1ccco1 489658267 BVEUSMOCFUZWCW-PMACEKPBSA-N 436.581 5.049 30 20 IKED CCn1c(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)nc2cc(C#N)ccc21 490742540 DSCCYNCDNMNXOJ-UHFFFAOYSA-N 443.555 5.112 30 20 IKED Cc1c(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)sc2ccc(C#N)cc12 493919888 KWUGVBNJTGIAAG-HRAATJIYSA-N 441.959 5.297 30 20 IKED O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccc(F)cc1C(F)(F)F 499349048 LGCFMRQZNWZXNG-CYBMUJFWSA-N 431.254 5.479 30 20 IKED N#CC1(CSc2nnc(-c3ccc(Br)cc3)n2CCc2ccccc2)CC1 500754481 NJQNLHBOUAPCLS-UHFFFAOYSA-N 439.382 5.346 30 20 IKED O=C(Nc1nnc(C(F)(F)F)s1)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 506286581 SVQBWQAISKNSLD-ZETCQYMHSA-N 438.275 5.001 30 20 IKED CCOC(=O)c1c(NC(=O)N2CCC(C)(C#N)CC2)sc(C)c1-c1ccc(F)cc1 506700556 WZGGSTJOQUHEAZ-UHFFFAOYSA-N 429.517 5.197 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H](COc2ccccc2)C1 506937610 AFGNNQRSPQUYFQ-HSZRJFAPSA-N 441.531 5.379 30 20 IKED CCOc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1OC 508255324 YNPABABJJFVLGZ-UHFFFAOYSA-N 447.491 5.088 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)c1 510057191 RABADFZFOXUTLD-BWKNWUBXSA-N 426.516 5.035 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nc(-c2ccccc2)ccc1C#N 510193620 YZFUZAITPLFKGH-SFHVURJKSA-N 442.544 5.056 30 20 IKED CN(Cc1ccc(Br)o1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 510673300 BDJJZIHVCMYLFO-UHFFFAOYSA-N 426.270 5.370 30 20 IKED N#Cc1ccsc1NC(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21 512389019 DFEIUVQPZHVWNB-UHFFFAOYSA-N 427.316 5.582 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2cccc(F)c2)C(C)C)cc1 513866119 NXORCTSUVCPYHW-UHFFFAOYSA-N 433.483 5.941 30 20 IKED COc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1OC(F)F 514575658 GUKPWWOSIXFAJE-SFHVURJKSA-N 442.849 5.858 30 20 IKED C=CCN(C(=O)c1cnc(C(C)(C)C)s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 516719005 JDXSSDCMCAISKW-UHFFFAOYSA-N 428.539 5.305 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2ccccn2)ccc1OCc1ccc(Cl)cc1Cl 517509294 WUHMSZUHCWMLDH-KRWDZBQOSA-N 427.287 5.466 30 20 IKED CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c(C)c1 520592316 HSBXWFLASPZHAD-GOSISDBHSA-N 443.572 5.799 30 20 IKED COc1ccc([C@@H](Cc2ccccc2C)NC(=O)N(C)Cc2ccc(C#N)cc2)cc1OC 521510796 HJYHHORWNVXKDR-XMMPIXPASA-N 443.547 5.009 30 20 IKED O=C(Nc1ccc(Cl)cc1F)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 523104510 UKAWDAGTVPZZKH-UHFFFAOYSA-N 445.718 5.614 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccccc2OCC2CC2)cc1 523543784 DAWJLNXKSVFXPP-UHFFFAOYSA-N 428.557 5.569 30 20 IKED CC(C)OCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)oc2ccccc12 524124659 YOOYVCIQLNHKDS-UHFFFAOYSA-N 440.499 6.061 30 20 IKED COc1ccc(CNc2cc(-c3nnc4n3CCCCC4)ccc2C)cc1OCCCC#N 532887246 GUNUPBJMYJJECE-UHFFFAOYSA-N 445.567 5.283 30 20 IKED CC(=O)c1ccc2c(c1)CCN(C(=O)Nc1ccc(Oc3ccccc3C#N)c(F)c1)CC2 533775196 PUDTXJLKNSXQMK-UHFFFAOYSA-N 443.478 5.325 30 20 IKED CC(=O)c1ccc2c(c1)CCN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1)CC2 535972276 LDLCOBQPMJHKNS-UHFFFAOYSA-N 425.488 5.186 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H](C)c1ccc(-c2csc(C)n2)cc1 537050295 HVXBAOLDBOXPKN-MSOLQXFVSA-N 448.592 5.113 30 20 IKED C[C@@H](NC(=O)NCc1cccc(Cn2ccnc2)c1)c1ccc(-c2cccc(C#N)c2)cc1 541124188 FALOIHPOJFHPHD-HXUWFJFHSA-N 435.531 5.030 30 20 IKED COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1OC1CCCC1 541352807 DYFMDZZIYQFEPB-FQEVSTJZSA-N 443.528 5.502 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 542420151 VVYOGQFOCZDZGP-IBGZPJMESA-N 434.323 5.259 30 20 IKED CN(C(=O)NCc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 542758124 RVWUYFFHEFNJEP-AOYPEHQESA-N 443.522 5.426 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2cc(Cl)ccc2-c2nc(C3CC3)no2)C2CC2)cc1 544273043 KOVQWDCYJCQJEP-UHFFFAOYSA-N 433.899 5.336 30 20 IKED C=C(C)Cn1c(SCc2nc(-c3ccc4sccc4c3)no2)nnc1-c1ccco1 544773498 CNJXPERGBHVZFI-UHFFFAOYSA-N 435.534 5.671 30 20 IKED C=CCn1c(S[C@@H](C(C)=O)c2ccccc2)nc2scc(-c3ccccc3)c2c1=O 549401285 WLCNNZSSQBHDIR-NRFANRHFSA-N 432.570 5.733 30 20 IKED C=CCn1c(S[C@H](C(C)=O)c2ccccc2)nc2scc(-c3ccccc3)c2c1=O 549401286 WLCNNZSSQBHDIR-OAQYLSRUSA-N 432.570 5.733 30 20 IKED N#CCCC[C@@H](NC(=O)C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1)c1ccccc1 551831064 PGNGOYSREXKFPX-OAQYLSRUSA-N 449.457 5.247 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](c2ccsc2)C1 562755130 QXVAWSXSCQCHQZ-OXQOHEQNSA-N 444.988 5.287 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@H]3CCO[C@@H]3c3ccc(Cl)cc3)cc2)ccn1 568144739 YSVPHVMFASXNSY-FCHUYYIVSA-N 434.883 5.051 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCOc3cc(O)ccc3C2)cc1Cl 571574001 KYZNYFPKHNWXKU-OAQYLSRUSA-N 433.895 5.128 30 20 IKED COc1cccc([C@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)c1 571698741 JESBALWDUPHSCB-RUZDIDTESA-N 435.531 5.215 30 20 IKED COc1ccc([C@@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)c(C)c1OC 580616163 HXAOEDBKOUPKAQ-QGZVFWFLSA-N 432.545 5.526 30 20 IKED FC(F)(F)c1cc(CN[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1Cl 589639165 QIFVPGKOGABIQH-URLYPYJESA-N 427.738 6.358 30 20 IKED Cc1c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)oc2ccc(Cl)cc12 603995710 WDOJXMFXFCDNEL-UHFFFAOYSA-N 429.863 5.771 30 20 IKED CCC(CC)[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1cccs1 604226513 IUINGXFMQYEIOH-QFIPXVFZSA-N 448.548 5.039 30 20 IKED N#C[C@H](C(=O)c1cccc(Oc2nccs2)c1)c1nc2cc(C(F)(F)F)ccc2s1 606144179 BTKITHCODBDYIB-CQSZACIVSA-N 445.447 6.054 30 20 IKED COc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 608785147 YVPPBCDUPGDWAY-IRLDBZIGSA-N 447.922 5.649 30 20 IKED CCN(Cc1ccc(CN(C)C)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 608995193 BMALNNXTJDXJTN-UHFFFAOYSA-N 442.563 5.775 30 20 IKED CSc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)ccc1NC(C)=O 609060835 OEUZZMLRMJZGHO-UHFFFAOYSA-N 445.544 5.378 30 20 IKED N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1 609097769 KRPYAXYJYOPBDZ-QHCPKHFHSA-N 444.922 5.071 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2)cc1 609126803 WAMDTPCWWQBVEJ-HZPDHXFCSA-N 442.359 5.553 30 20 IKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N(C)c1ccc(C#N)cc1F 609217708 PDWROQOHJBOWNN-UHFFFAOYSA-N 431.298 5.012 30 20 IKED Cc1cnc2c(S(=O)(=O)N(Cc3cccc(C#N)c3)c3ccc(F)cc3C)cccc2c1 609542031 BUQMWMOVAWIJRG-UHFFFAOYSA-N 445.519 5.258 30 20 IKED C[C@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609941722 GYNKSKFITKHHJM-QGZVFWFLSA-N 439.471 5.255 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1 610684973 LWXOZHLJLNRBOJ-CALCHBBNSA-N 442.359 5.472 30 20 IKED CCS[C@H](C)c1noc(CN(C)C(=O)Nc2cccc(C#Cc3cccs3)c2)n1 610814311 MSGJELGNJPRQHD-OAHLLOKOSA-N 426.567 5.009 30 20 IKED C[C@@]1(C#N)CCCN(C(=O)N[C@H](c2cccc(F)c2)c2cccc(Br)c2)C1 612375957 LKJVMUIMKSAONB-FPOVZHCZSA-N 430.321 5.013 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)c12 613292325 HQURZOVDSVEJPG-IBGZPJMESA-N 425.536 5.656 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)c(Cl)c1 617801941 BXEWQZBSOPXPJP-CQSZACIVSA-N 429.332 5.437 30 20 IKED O=C(CCc1ccc(-c2ccccc2F)o1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618300674 CWPYUVJILRTJNL-CHWSQXEVSA-N 437.355 5.608 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1Br 642158845 WLPFFVLEJIXWAR-MBTKJCJQSA-N 436.165 5.228 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2ccccc2F)n1)c1nc2cc(C(F)(F)F)ccc2s1 642282191 SXFWCTULAVWVCU-GFCCVEGCSA-N 430.386 5.130 30 20 IKED O=C(Cc1ccc(OC(F)(F)F)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642658664 HDLAVLFHNBJBFA-GDNZZTSVSA-N 437.302 5.153 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccc(N2CCNC2=O)cc1)c1ccc(C(F)(F)F)cc1 676747654 KRNGVUCTYAILCT-LJQANCHMSA-N 432.446 5.064 30 20 IKED Cc1c(C(=O)/C=C/c2csc(-c3ccc(F)cc3)n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 727266762 FCUUZPQNZJESOP-BQYQJAHWSA-N 427.413 5.279 30 20 IKED COc1cc(C=NNc2ccc(Br)cc2F)ccc1OCc1c(C)noc1C 728432817 CKEKDTGHQKKDQK-UHFFFAOYSA-N 448.292 5.227 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCc1ccc(F)cc1C#N 728624362 BTPCSKKJSJOFQL-CYBMUJFWSA-N 430.888 5.371 30 20 IKED CC(C)c1ccccc1-n1c(SCc2ccc(OCC#N)cc2)nnc1-c1cccnc1 729241126 LXAVCVWOVVLISS-UHFFFAOYSA-N 441.560 5.647 30 20 IKED N#CCOc1ccc(CSc2nnc(-c3ccccc3F)n2Cc2ccccc2)cc1 729242129 PJRFGVYOXRXLQT-UHFFFAOYSA-N 430.508 5.327 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1cccc(OCC#N)c1)C(=O)c1ccccc1 730151015 HESVHWSAFPOHPP-NCELDCMTSA-N 438.527 5.619 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(CCCCCC(=O)O)C(=O)N[C@H]1c1ccsc1 731433673 JPNQRYOQYVMHIC-FQEVSTJZSA-N 446.956 5.113 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Oc3ccc(NC(=O)c4ccccc4)cc3)cc2)nc1 731958528 WRBSOQYZPUATQS-UHFFFAOYSA-N 435.439 5.217 30 20 IKED CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 732065659 UCLKALQCXDKLAW-OAQYLSRUSA-N 449.551 5.016 30 20 IKED COc1cc(C#N)ccc1OCC(=O)Nc1ccc(Nc2ccc(F)cc2)c2ccncc12 732104583 CWECXBKQLXEQKQ-UHFFFAOYSA-N 442.450 5.015 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)[C@H](C)CSc2ccccc2)n(C2CCCC2)c1C 732393701 JPLREQWWAQDSMW-MRXNPFEDSA-N 439.581 5.002 30 20 IKED Cc1ncc(/C=C/C(=O)C(c2nc3ccccc3s2)c2nc3ccccc3s2)s1 732900337 MXKKDNCDFGAWQG-ZHACJKMWSA-N 433.583 6.085 30 20 IKED N#CCOc1ccc(Cl)cc1CSc1nnc(-c2ccc(Br)cc2)o1 735231389 UXGZTVUYUVUMMC-UHFFFAOYSA-N 436.718 5.347 30 20 IKED C=CCCCSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccc(OC(F)F)cc1 735415612 XSRRTJSJMYOWDB-HKWRFOASSA-N 444.503 5.740 30 20 IKED N#C[C@H](C(=O)C[C@@H]1CCOc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 735592589 BFNXICGESVTXKR-SUMWQHHRSA-N 443.355 6.250 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(CNC(=O)OC(C)C)cc1 739578364 YUTYWQQVPZQHTG-UHFFFAOYSA-N 436.430 5.157 30 20 IKED N#C[C@H](C(=O)Cc1c[nH]c2ccc(Cl)cc12)C(=O)Nc1ccccc1Oc1ccccc1 740529402 MVCFATNFXQBHDJ-HXUWFJFHSA-N 443.890 5.504 30 20 IKED N#C[C@H](C(=O)Cc1c[nH]c2ccc(Cl)cc12)c1nc(-c2c(F)cccc2F)cs1 740540019 XNTDTGDMQGYERZ-CQSZACIVSA-N 427.863 5.642 30 20 IKED C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1nc(-c2ccc(Cl)cc2)no1 742940057 CGAYBIPNSVWBOU-OAHLLOKOSA-N 428.879 5.420 30 20 IKED Cc1ccc(N2C(=O)CC[C@H](C(=O)N[C@@H](C)c3cccc(C#N)c3)[C@@H]2c2cccs2)cc1 743776932 KSCIEDBZHXCDFA-KDSXSNECSA-N 443.572 5.290 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)c3ccc(Br)s3)n2)cc1 744061048 GMUIPVXOAVHDFW-FZMZJTMJSA-N 447.379 5.623 30 20 IKED COC(=O)COc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1 745020566 MPAZNIMXEHSELY-RZNTYIFUSA-N 449.890 5.040 30 20 IKED c1ccc(-c2nc3c(s2)C(=NNc2ncnc4c2cnn4-c2ccccc2)CCC3)cc1 747047877 JVLWYBOKETVXRG-UHFFFAOYSA-N 437.532 5.092 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2cccs2)C(=O)N[C@@H]1c1cc(C#N)cs1 747959835 MZGXKCXEJKRDJH-HXUWFJFHSA-N 437.521 5.087 30 20 IKED N#Cc1ccccc1-c1ccc(CS(=O)(=O)Cc2c(F)c(F)c(F)c(F)c2F)cc1 749840183 KEKMWUVVIDGCHS-UHFFFAOYSA-N 437.389 5.036 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccc(-c2nnc(C)o2)cc1)c1ccc(C(F)(F)F)cc1 750332013 UVPXZDUPAZZROT-IBGZPJMESA-N 430.430 5.893 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cc(Cl)cc(Cl)c2)cs1 755705229 OBQMTZWPJAAPQQ-DAXSKMNVSA-N 435.307 6.170 30 20 IKED COc1ccc(C(C)(C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 757874283 HVRAAGGOESAMGP-QGZVFWFLSA-N 440.952 5.635 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(F)c2cccnc12 759186625 DRPKDGANFHLNBT-UHFFFAOYSA-N 448.910 5.656 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 761665846 ZILHRTRWYYMRSI-FQEVSTJZSA-N 428.467 5.163 30 20 IKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H]2CCC(F)(F)C2)c1 763205246 MMVXCAMLHYVKOI-RTBURBONSA-N 443.519 5.143 30 20 IKED CN(Cc1cccc(C#N)c1)Cn1nc(-c2cccnc2)n(-c2ccc(Cl)cc2)c1=S 764884351 YYFZNSLVMGDLTC-UHFFFAOYSA-N 446.967 5.080 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3Cc4ccc(Br)cc4C3)cc2)c1 765179431 FRIQZGSOTZOGAE-UHFFFAOYSA-N 434.293 5.661 30 20 IKED CCOc1ccc(-c2nc(CON=Cc3cccc(OCc4ccncc4)c3)co2)cc1 772883967 NEWAFYYXQXKDPU-UHFFFAOYSA-N 429.476 5.265 30 20 IKED Cc1sc2ncn(N=Cc3ccc(Br)cc3SC(C)C)c(=O)c2c1C 779759441 KOVRHSORNKJNTO-UHFFFAOYSA-N 436.400 5.220 30 20 IKED CSCc1cc(C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)ccc1F 787046583 RLIQUZAPLPKIGF-MEDUHNTESA-N 439.339 5.195 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 787417615 QEWDIYDMUYWADZ-JOCHJYFZSA-N 435.886 5.713 30 20 IKED C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 793121756 LAIALNNPRZWAPW-OXJNMPFZSA-N 431.442 5.742 30 20 IKED CC(C)N1CCc2c(c3ccccc3n2CC(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)C1 797568769 WGSMORBRPVPBEW-SFHVURJKSA-N 434.609 5.038 30 20 IKED C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(C(F)(F)F)cc1 798817172 UZWZCGHDUDZYKQ-YGRLFVJLSA-N 429.225 5.463 30 20 IKED O=C(Nc1ccc(NC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)c(C(F)(F)F)c1)C1CC1 801655067 QITGYFZSZMQNOO-INIZCTEOSA-N 448.338 5.722 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cc(C(C)C)nn2-c2ccccc2)ccc1OC 810269121 UGMUUROLFREYEO-FQEVSTJZSA-N 447.539 5.007 30 20 IKED Cc1ccc(C(=O)OC2(CC#N)CCC2)cc1NC(=O)c1ccc(Br)cc1 810859273 GYIUSSHSVRSTHH-UHFFFAOYSA-N 427.298 5.003 30 20 IKED COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1O 811698197 JEMUMRYJXUVTCT-TWGQIWQCSA-N 428.897 5.091 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C/c1cn(C)nc1C(F)F 812242017 PSGBJTFFZMOHBJ-VMPITWQZSA-N 438.297 5.448 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CCO2 813022322 WDYHFWBCOXOIRY-UHFFFAOYSA-N 443.569 5.098 30 20 IKED C=C[C@](C)(O)Cc1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1 904670524 ONVHHEDAPPNIHS-SFHVURJKSA-N 425.794 5.076 30 20 IKED CCCCNC(=O)c1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915349927 BCSYDECXSZPPMX-RUZDIDTESA-N 440.547 5.194 30 20 IKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccc(C)cc2)[n+]2cccc(C)c2)C=C1 916203011 KSWAYXYXZGOYNW-UHFFFAOYSA-O 433.553 5.175 30 20 IKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 916212357 UYRAZJGOHRTICK-GOSISDBHSA-N 449.498 5.466 30 20 IKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc2ccccc12 916217919 YNYUPPDLIUKRKB-OAQYLSRUSA-N 433.508 5.125 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(Br)c1 916905465 KTICSBSXWPBKCL-HNNXBMFYSA-N 441.306 5.264 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 916909780 UWEMJQKEFNAJOS-SUMWQHHRSA-N 433.335 5.233 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(SCc3csc(C)n3)cc2)cc1 916914115 VMXXBFKBSMKTJE-NRFANRHFSA-N 435.574 5.267 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2sc(C)nc2-c2cccs2)cc1 916947564 NCMUERRRFLPYBB-KBXCAEBGSA-N 437.590 5.584 30 20 IKED COc1cccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 916995686 CHEPRRINNMTOKU-INIZCTEOSA-N 433.316 5.381 30 20 IKED N#C[C@H](C(=O)Cc1ccc(F)c(Br)c1)c1nc(-c2ccc(Cl)cc2)cs1 917428710 WVFWWAGYRLWFCK-CQSZACIVSA-N 449.732 5.784 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(N3CCCCC3)cc2)cs1 917563648 QXNMWAQBAWNTLH-XNTDXEJSSA-N 445.588 6.023 30 20 IKED C=CCn1c(-c2ccccc2F)nn(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1=S 919950006 BYPVZGUIVDRGIB-UHFFFAOYSA-N 441.532 5.182 30 20 IKED CCOc1ccc(O)c(C=Nc2cc(OCC)c(NC(=O)c3ccccc3)cc2OCC)c1 920943206 SHTKJFLFHOOUOD-UHFFFAOYSA-N 448.519 5.591 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)nn3-c3ccccc3)cc2)CCC1 1788669532 ACFZUUCVKILQLG-LJQANCHMSA-N 442.563 5.141 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc4c3OCC4)cc2)CCC1 1788901651 OIDWSJPPHZPENM-QFIPXVFZSA-N 430.548 5.138 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)C[C@@H]4C[C@@H]5CC[C@H]4C5)CCC3)cc2)cc1 1790290056 DKCDPDURDMRVIH-HJNYFJLDSA-N 427.548 5.132 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cnc5c(F)c(F)ccc5c4)cc3)CCC2)C1 1790964579 YAAGRPJVRKSIJP-UHFFFAOYSA-N 447.485 5.227 30 20 IKED N#CCCC(=O)NC1(c2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCC3)cc2)CCC1 1791191564 XWIZGDFTSSZONH-UHFFFAOYSA-N 435.955 5.200 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc4cc[nH]c4cc3F)CCC2)cc1)C(F)(F)F 1791302411 FSDAVDWDURWFAW-UHFFFAOYSA-N 445.416 5.173 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)ccc1C(F)(F)F 1803868484 OIDVYUZFHPPWEY-BJWYYQGGSA-N 440.481 5.089 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(OC(F)F)cc3)CC2)C1 1804866495 AFISZUVGHSNENV-UHFFFAOYSA-N 448.554 5.125 30 20 IKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[C@@H](C)CC)[C@@H]1c1cccnc1 1812586655 KTFDJRZCJBOJMN-OHLMBLSPSA-N 447.623 5.130 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(C(F)(F)F)CCC2)n[nH]1 1817190998 NFMXJEGSJOWUOG-MRXNPFEDSA-N 440.510 5.127 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(C)(C)C)nc2)[nH]n1 1819300452 CTJKBCBCMGOIBE-CTNGQTDRSA-N 449.599 5.177 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)ccc2Cl)[nH]n1 1819308932 IKABKWJASPNGLO-UZLBHIALSA-N 444.938 5.277 30 20 IKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CC3CCCC3)CC2)c1Cl 1826263096 OKYFXSGKTMZVSB-JOCHJYFZSA-N 442.003 5.025 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)C1 1828396783 HIUYJOWELXYUMB-VXNXHJTFSA-N 441.015 5.029 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cc(C)cs2)CC1 1828821396 MKWCUSVOEFHFDO-ZEQRLZLVSA-N 442.669 5.377 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)cc2F)CC1 1828827613 QGMSOUGGEBVBDT-QPPBQGQZSA-N 426.576 5.136 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1 1828831059 UIVWUTCWFDNIHI-AZCRNNOYSA-N 426.645 5.201 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)ccc2OCC)CC1 1831375125 ZULSRCCUUIZMTE-AVRDEDQJSA-N 447.019 5.184 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)cc2OC)CC1 1832528791 CVVMKQSEMFAILQ-JOCHJYFZSA-N 444.591 5.060 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)c(F)c2F)CC1 1832613686 LSMLSMAKBLKDDU-UNMCSNQZSA-N 444.566 5.275 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(Oc2ccccc2)cc1 1847531996 RRHVBBUQAABYBU-DQEYMECFSA-N 430.548 5.063 30 20 IKED CCOc1ccc(OCc2nnc(S[C@H](C)C#N)n2-c2ccc(C)c(Cl)c2)cc1 9456748 OSUZOCDECFEVAK-OAHLLOKOSA-N 428.945 5.211 30 20 IKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10756058 MGIGTPBNURTGCP-UHFFFAOYSA-O 441.979 6.115 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)c2cccc3ccccc23)nnc1-c1ccccc1 18952397 REMWEOSFTYILGU-SFHVURJKSA-N 428.561 5.254 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(C)s2)=C(\S)Nc2ccc(OC(F)F)cc2)c1 22730310 NOMFKOOUTUXXLI-UHFFFAOYSA-O 433.525 5.305 30 20 IKED Cc1oc(-c2cccs2)nc1CC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 31776539 IEQKPFKGWRCHSY-UHFFFAOYSA-N 429.501 5.343 30 20 IKED CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 57616183 YOGAZYXMJMAWET-UHFFFAOYSA-N 440.315 5.572 30 20 IKED C=CCc1cc(CNC(=O)Nc2ccc(OCC)cc2C(F)(F)F)cc(OC)c1OC 65374570 LFPIGIJSBWDQBN-UHFFFAOYSA-N 438.446 5.172 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(Sc3nc(C)cs3)cc2C)cc1OC 110482556 JMQKSQIKAYHARG-UHFFFAOYSA-N 426.563 5.737 30 20 IKED N#Cc1ccccc1COc1cccc(CNCc2cccc(NC(=O)C3CCCC3)c2)c1 238141838 RASCMXVLBCKWFJ-UHFFFAOYSA-N 439.559 5.556 30 20 IKED N#Cc1cc2c(nc1SCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1)CCCC2 302934879 HMHXOJWVRZBNGG-QFIPXVFZSA-N 437.565 5.031 30 20 IKED CC(=O)Nc1cccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 410171655 UNNRMGJEZNCHKS-JOCHJYFZSA-N 432.911 5.276 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4ncc(C(C)(C)C)s4)cc3)o2)cc1 430624123 IEJBZVUUQAGAGY-LJQANCHMSA-N 442.544 5.956 30 20 IKED N#CCCCOc1cccc(NC(=O)c2cc(C(F)(F)F)ccc2Br)c1 431785581 AAYWBZZDMCTLOJ-UHFFFAOYSA-N 427.220 5.403 30 20 IKED N#C[C@@H](C(=O)c1occc1Br)c1nc(-c2ccc(Cl)cc2Cl)cs1 435450235 AODIACBIEGYODZ-JTQLQIEISA-N 442.121 5.962 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C)c1 438842314 ORQQFYDDQFUFOG-IRXDYDNUSA-N 441.622 5.857 30 20 IKED C[C@H](Nc1cccc(Oc2ccccn2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 439649512 PRQOBCHOUITUQX-INIZCTEOSA-N 432.549 5.515 30 20 IKED Cn1c([C@H](C#N)C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])nc2ccccc21 442038345 ZTTCLEMWYIOWSU-MRXNPFEDSA-N 428.473 5.123 30 20 IKED C=CCn1c(S[C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)nnc1-c1ccoc1C 443521368 MRPRHOWBWNLBDP-CQSZACIVSA-N 426.929 6.194 30 20 IKED N#CCCCn1cc(C(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c2ccccc21 444339072 ONHMGLQDJMORBS-QGZVFWFLSA-N 430.483 5.245 30 20 IKED N#C[C@@]1(NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)CCc2ccccc2C1 444344368 SGGSATBUFWMFSW-JOCHJYFZSA-N 426.394 5.026 30 20 IKED CN(Cc1ccccc1F)C(=O)CN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444742912 JYTFDOAAAPHNQD-QGZVFWFLSA-N 436.371 5.086 30 20 IKED Cc1cc(C)c(NC(=O)Cc2noc(/C=C/c3cn(CCC#N)c4ccccc34)n2)c(C)c1 445332030 NCQVYTZVURBIJJ-MDZDMXLPSA-N 439.519 5.215 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H]1c1ccc(COC)o1 460959070 JNNYJJZWOBJTKN-QFIPXVFZSA-N 429.524 5.150 30 20 IKED CCCc1ccc([C@H](NC(=O)Nc2cnn(-c3ncccc3C#N)c2)c2cccs2)cc1 462095768 FYHFPVXOMABQAR-QFIPXVFZSA-N 442.548 5.064 30 20 IKED CCN(C(=O)[C@@H](C)c1cccc(C#N)c1)[C@@H](c1cccnc1)c1csc2ccccc12 463779564 UOCLABDBXRSISS-BVZFJXPGSA-N 425.557 5.910 30 20 IKED Cc1nc(C(F)(F)F)sc1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 464409639 VUAXSENRDCKWDP-KRWDZBQOSA-N 431.439 5.044 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2nc3ccccc3s2)s1)c1cc(C(F)(F)F)ccn1 464422465 QKNFFOCOOSTNGL-LBPRGKRZSA-N 429.448 5.929 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C)cc(Br)c3)n2)cc1 464509367 HWQLANWCWGKAPK-QGZVFWFLSA-N 427.323 5.380 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)C1(C#N)CCCCC1 466917895 GYXRFXKMOYRAQX-CQSZACIVSA-N 432.387 5.532 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@H]3CCCSc4ccc(Cl)cc43)ccc21 469260871 SSQPRRJKRCSFEV-FQEVSTJZSA-N 425.985 5.962 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1c[nH]c2cccc(F)c12 471929027 KOCNICUWUMQLOU-UHFFFAOYSA-N 443.447 5.132 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 473584438 YLPUEVZXXKWPSZ-CQSZACIVSA-N 446.450 6.349 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@]3(C2)OCc2ccccc23)cc1 473660261 MGOMWUXJQLJKAG-SANMLTNESA-N 441.487 5.022 30 20 IKED CCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 473820921 DLOJFOMEYXUDGV-RZUBCFFCSA-N 436.625 5.770 30 20 IKED N#CC[C@@H](CC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1)c1ccccc1 475524837 IIWJQWQGWJHQAE-VQTJNVASSA-N 434.927 5.184 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 475587836 WJZIQIDZLKHDNO-AOYPEHQESA-N 431.624 6.057 30 20 IKED N#CCc1ccccc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F 475791122 LURUUBNLPBYDTE-UHFFFAOYSA-N 432.423 5.365 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 476760736 LRSYTAJOPCALRJ-UHFFFAOYSA-N 439.874 5.040 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 476787812 BEESBPYPYFUNDI-GOSISDBHSA-N 431.363 5.837 30 20 IKED C=C(C)[C@@H](NC(=O)Nc1ccc(OC)c(OCc2ccncc2)c1)c1ccc(F)c(F)c1 480455109 SRKCGGOLCHJWRE-HSZRJFAPSA-N 439.462 5.386 30 20 IKED CCCOc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c(OC(C)C)c1 480530749 WXYOPVGGAZVDSS-UHFFFAOYSA-N 449.551 5.098 30 20 IKED COc1ccc2ccccc2c1-c1cc(CN2CCC(Oc3ccc(C#N)cc3)CC2)on1 480715793 JPBSSLAWESLDHQ-UHFFFAOYSA-N 439.515 5.418 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(Cc3ccc(F)cc3)no2)nnc1-c1cccs1 481397873 FPMMEJPBVBIPDW-ZDUSSCGKSA-N 427.530 5.159 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 481973900 ATXBHKXZUKZRIC-LEWJYISDSA-N 439.441 5.195 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@H](C)Cc2ccc(O)cc2)cc1 483332429 CJEMKCZAYAQEPW-QGZVFWFLSA-N 431.492 5.160 30 20 IKED Cc1ccccc1COc1cccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c1 484010705 VWEDHWVLSMSUAM-UHFFFAOYSA-N 441.531 5.240 30 20 IKED CCOc1ccc(-n2c(SCCCSCC#N)nnc2-c2ccc(F)cc2)cc1 488871300 FIVGOFKKIVLUEE-UHFFFAOYSA-N 428.558 5.211 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3ccc(C#N)cc3Cl)c3cnn(C(C)C)c3n2)c(C)o1 494610838 FDVQQEFNNXZLQV-UHFFFAOYSA-N 433.899 5.666 30 20 IKED N#Cc1ccccc1-c1ccc(CS(=O)(=O)Cc2csc(-c3ccc(F)cc3)n2)cc1 494702595 JOMMMEPNODTSKX-UHFFFAOYSA-N 448.544 5.603 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)s2)cc1 495133221 QUYPBMOHNDNMLL-CHWSQXEVSA-N 432.983 5.159 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 495713382 QFWSRKNGFPLXPL-QWHCGFSZSA-N 437.311 5.650 30 20 IKED CCN(C(=O)CCCC(=O)c1ccc(Br)cc1)[C@H](C)c1ccc(C#N)cc1 498882412 AMDOIRMTEKXQNR-MRXNPFEDSA-N 427.342 5.283 30 20 IKED COc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC 500759334 PFHGUFWLHMLXRG-UHFFFAOYSA-N 444.487 5.278 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)N(Cc1ccc(F)cc1)c1nc2ccccc2s1 501781497 RJSQOGKOWFQQRB-INIZCTEOSA-N 431.492 5.308 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 503506280 ZHEAPULGSPFFND-UHFFFAOYSA-N 446.530 5.125 30 20 IKED Cc1ccc2c(CCNC(=O)c3ccccc3SCc3ccc(C#N)cc3)c[nH]c2c1 503877835 WPFLIGLRXDKIEC-UHFFFAOYSA-N 425.557 5.613 30 20 IKED N#C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1cccc(C(F)(F)F)c1 505947506 ISLHMVAVYNSSKS-KRWDZBQOSA-N 435.858 5.406 30 20 IKED CC1(C#N)CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CC1 507836868 HUIWBRWKTIKPDV-UHFFFAOYSA-N 449.352 5.068 30 20 IKED CCCc1noc2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c12 508207402 XBFJTMDIKDFJMU-CQSZACIVSA-N 435.434 5.288 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1 508942110 OPRVSNCGCMKSLX-UHFFFAOYSA-N 435.593 5.481 30 20 IKED Cc1cc2cc(CNC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)ccc2[nH]1 512210676 VNJFOGZDXVNVQM-UHFFFAOYSA-N 426.495 5.399 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc(-c4ccccc4Cl)on3)c2)c1 515674763 JZSLLNYPGWBPQB-UHFFFAOYSA-N 442.862 5.371 30 20 IKED Cc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c(C)c1 519415503 NTDVXXIQLZWWRE-KRWDZBQOSA-N 436.606 5.472 30 20 IKED CC[C@@H](C)n1c(SCC(=O)Nc2cc(C#N)cn2C(C)(C)C)nnc1-c1ccccc1 520809934 YGKGCWHREJXXPV-MRXNPFEDSA-N 436.585 5.075 30 20 IKED COc1cc(-c2noc(CNc3ccccc3SC[C@@H](C)C#N)n2)ccc1OC(F)F 520830611 IKWUQTSKXGLOQL-ZDUSSCGKSA-N 446.479 5.210 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(OC(F)(F)F)cc1 520832719 POAGHPMBSMAAQQ-AWEZNQCLSA-N 440.512 5.851 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cc(Cl)c2c(c1)OCCCO2 521259529 ORWZONYEHLINPD-CQSZACIVSA-N 431.945 5.075 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccc(C)cc3C)o2)c1 524290558 WIWRLIJHLWCGFV-LJQANCHMSA-N 434.565 5.398 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H](c3ccccc3)c3ccco3)c2)c1 524663464 PIDHQIQWVSZSMI-XMMPIXPASA-N 436.471 5.315 30 20 IKED N#Cc1ccc(S(=O)(=O)Nc2ccc(COCc3ccccc3)cc2)c(C(F)(F)F)c1 525019448 UXBDYTDRZQDDOF-UHFFFAOYSA-N 446.450 5.095 30 20 IKED Cc1cc(NC(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)c(F)c2)nn1CCC#N 525840744 HNCCWIZQXWCNCS-UHFFFAOYSA-N 447.392 5.699 30 20 IKED N#C[C@@H](NC(=O)c1ccccc1OCc1ccncc1)c1ccc(OCc2ccccc2)cc1 534330145 DQJCQRXYWGJYBI-AREMUKBSSA-N 449.510 5.234 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cnc([C@@H]4CCCO4)s3)cc2Cl)cc1 536323111 CHSZZGBUFXNXGX-SFHVURJKSA-N 425.897 5.564 30 20 IKED CN(Cc1ccc(Cl)c(F)c1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 536491926 PATNSKHLQLGNTM-UHFFFAOYSA-N 447.948 5.158 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1 539447450 ZWNDGODBHMSCIG-GGAORHGYSA-N 435.430 5.280 30 20 IKED C[C@H](NC(=O)N1CCc2c(ncn2-c2ccccc2)C1)c1ccc(-c2cccc(C#N)c2)cc1 542087731 OKSXGCXPYOKRRH-FQEVSTJZSA-N 447.542 5.240 30 20 IKED CC(=O)N1CCc2c(sc3nc(-c4ccc(F)cc4)c(C#N)c(-c4ccc(C)cc4)c23)C1 543444127 GKQQSIXDUXZVPT-UHFFFAOYSA-N 441.531 5.854 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 543888741 AEHDMERRWGLWRP-HNNXBMFYSA-N 446.511 5.198 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCc1nc(-c2ccc(Oc3ccc(F)c(F)c3)cc2)no1 545801265 HPFYHUXPSCNVON-UHFFFAOYSA-N 448.429 5.181 30 20 IKED COc1ccc(SC)c(OC)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 546597706 XNNQTIPOBOOWQZ-UHFFFAOYSA-N 434.517 5.129 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)CC1 554602164 MKEPKJHUTXZXCS-QHCPKHFHSA-N 444.966 5.286 30 20 IKED CO[C@H](c1ccc(F)cc1)c1noc(C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)n1 554812850 ISYGXPQXLGRMOR-HXUWFJFHSA-N 440.906 5.028 30 20 IKED Cc1c(C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)sc2ccc(C#N)cc12 555696064 VEWFIPKMGTVVFA-QGZVFWFLSA-N 446.507 5.290 30 20 IKED N#CCCN(C(=O)c1ccc(NC(=O)CSc2cccs2)cc1)c1ccc(F)cc1 558164075 OWYOKGCZNAMNBG-UHFFFAOYSA-N 439.537 5.178 30 20 IKED CCOc1ccc(SCC(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 563317155 YVFWJUQCPRHDBT-XMMPIXPASA-N 432.545 5.137 30 20 IKED CC(C)(C)c1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1 567143515 MYXWJXIAKVBOQI-CQSZACIVSA-N 431.348 5.694 30 20 IKED N#Cc1ccc(C2=CCN(c3nnc(-c4cccc(C#N)c4)n3Cc3ccccc3)CC2)cc1 568704161 ZONHQVNDGKYPCR-UHFFFAOYSA-N 442.526 5.030 30 20 IKED CCOC(=O)c1csc(C2CCN(c3c(C#N)cnc4c(Cl)cc(C)cc34)CC2)n1 573462241 YRZWMAYVVWBRLY-UHFFFAOYSA-N 440.956 5.086 30 20 IKED CC1(C)CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)Cc2ccccc2O1 574721857 OXLACSUFQZNELU-UHFFFAOYSA-N 441.531 5.537 30 20 IKED Cn1ccnc1Sc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 590655093 CRIKFJWMMFEIGR-UHFFFAOYSA-N 442.569 5.846 30 20 IKED N#Cc1cc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)ccc1Cl 603567542 MBAQXLRXVCQXDH-UHFFFAOYSA-N 430.817 5.546 30 20 IKED CCOc1cc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)ccc1OCc1cccnc1 603627435 MTFOHIZZMVFEDQ-GOSISDBHSA-N 447.491 5.298 30 20 IKED CC(C)(C)N1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 604089891 QTRPPZVUPVFWPI-UHFFFAOYSA-N 426.948 5.388 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 604172591 APRQRDXIYHELDP-HSZRJFAPSA-N 435.911 5.228 30 20 IKED Cc1ccc(Nc2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2)nn1 606146187 LMXQKVLEZHZLHX-LJQANCHMSA-N 445.935 5.796 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1C#N 609073294 AQSGSRMMQYIXJK-UHFFFAOYSA-N 440.528 5.256 30 20 IKED N#Cc1ccc(F)c(CN2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c1 609465074 USICJJCVFNCGCA-VWLOTQADSA-N 434.559 5.386 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 609644257 CVWSAXVQYFCSQR-GOSISDBHSA-N 427.529 5.784 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2cccc(O)c2)CC2CC2)cc1 609844891 XQWSSRYQDHZKON-UHFFFAOYSA-N 441.531 5.481 30 20 IKED Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 611227014 BAWCAHOSEGSYAE-UHFFFAOYSA-N 429.867 5.145 30 20 IKED C=CCN(C(=O)c1cc([N+](=O)[O-])cn1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 612556210 OOQFLPCKOOTMSS-UHFFFAOYSA-N 444.516 5.557 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1OCC(C)C 613404395 QLBPMBSNXVBMCJ-OAHLLOKOSA-N 448.466 5.849 30 20 IKED Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2ccccc2)c1C 619820149 NNMPWGZHWMNYLR-QFQXNSOFSA-N 429.568 5.213 30 20 IKED O=C(Nc1cccc(Cl)c1OCC(F)F)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 672877814 GVYSUJUSNKSGMZ-OCAPTIKFSA-N 440.718 5.188 30 20 IKED C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)c1ccc(OC(F)(F)F)cc1 674424072 GHAGZIDLUBQXPC-XXILOJSOSA-N 438.290 5.028 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc(C)c(-c2cccc(Cl)c2)s1 726733312 VTIKJGBGFRMHNI-QGZVFWFLSA-N 438.936 5.737 30 20 IKED Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 727595229 MHPVWBOBXZVJFC-UHFFFAOYSA-N 445.954 5.373 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CNC2(c3noc(C)n3)CCCCC2)c1=S 729848515 BATXTPLZDAXISU-UHFFFAOYSA-N 444.992 5.019 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C\c1ccc(OCc2occc2C(=O)O)cc1 730949363 UMBVRRIINJLDEQ-RAXLEYEMSA-N 442.471 5.255 30 20 IKED C#CCOc1cccc(NC(=O)N(C)[C@@H]2CCSc3ccc(Br)cc32)c1 731112447 IVUYYPXVHPFMQN-GOSISDBHSA-N 431.355 5.162 30 20 IKED COc1ccc(CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)[C@H](C)C2CC2)cc1 731280306 IWWIBKUMRHGVFJ-HRFSGMKKSA-N 439.559 6.183 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3nc(NCc4ccco4)ncc3Cl)cc2)c1 731331807 RHICMPSIKNTAAT-UHFFFAOYSA-N 445.866 5.251 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(C(F)(F)F)nc2O)ccc1OCc1ccccc1 731564822 UJEZYORFGNUPRL-FLIBITNWSA-N 443.421 5.680 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F 733145961 MCLPQHJMNHMANH-FQEVSTJZSA-N 427.476 5.086 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)nc1 733234496 HIHFQOVSWHGLTP-UHFFFAOYSA-N 437.524 6.458 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@H]2c2cccc3ccccc23)ccc1OC 733654120 OCSPEWGDGKUTST-URXFXBBRSA-N 443.547 5.576 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1occc1Br 735227824 IVGRVLPBTROGDZ-UHFFFAOYSA-N 448.729 5.325 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 735791841 CFVMHQUCHJXZGG-MRXNPFEDSA-N 440.450 5.433 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)COc3ccc(Cl)c4cccnc34)c2)s1 739598299 HQUKWZZYTNUSBO-UHFFFAOYSA-N 433.920 5.184 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N(Cc3ccco3)Cc3ccccc3O)c2)s1 740483102 MFUHFNQAYJHKDN-UHFFFAOYSA-N 443.528 5.497 30 20 IKED COc1ccc(C(C)=NNc2c(Cl)cc(Br)cc2Cl)cc1NC(C)=O 741844146 NXZJDWFBZRYFKB-UHFFFAOYSA-N 445.144 5.559 30 20 IKED O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccncc1)c1c(Cl)nc2sccn12 741845547 XWKIRXORPKYJLW-VOTSOKGWSA-N 431.908 5.193 30 20 IKED N#CCc1ccc(NC(=O)C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)cc1 741887295 BWHQKJXNVFOELL-UHFFFAOYSA-N 426.516 5.019 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(OCCc3ccccc3)CC2)cc1 743294629 RBXHBRANVUZXPW-MHZLTWQESA-N 439.559 5.598 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)N1CCSc2ccccc21 743474962 OSKLJKMWCSFJQH-SFHVURJKSA-N 429.545 5.077 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2)c1nc2cc(C(F)(F)F)ccc2s1 744038369 RNPIEEXCINNRPL-QLFBSQMISA-N 444.434 5.066 30 20 IKED O=C(/C=C/c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(N2CCOC2=O)cc1 748583947 JLVNYZJNQSQUBW-JXMROGBWSA-N 444.434 5.682 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](CCc3ccccc3)C2)cc1 755757429 VDYNRWLJHPPXIB-UIOOFZCWSA-N 425.532 5.208 30 20 IKED N#CCSc1ccccc1NC(=O)COC(=O)c1cccc(-c2c(F)cccc2F)c1 757781946 DRQMFARNRFEMHM-UHFFFAOYSA-N 438.455 5.043 30 20 IKED Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)Oc1ccc(-c3ccc(C#N)cc3)cc1)CC2 758380792 OWGKCRKQTHPGGY-SFHVURJKSA-N 437.421 5.053 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)cc1F 758620775 RAGGFRKWBAEYML-QUCCMNQESA-N 435.455 5.203 30 20 IKED N#Cc1ccc(N2CCN(C(=O)c3ccc(C4SCCCS4)cc3)CC2)c(Cl)c1 767113413 ZFQBMRHPEAMACM-UHFFFAOYSA-N 444.025 5.043 30 20 IKED C=C(C)Cn1c(SCc2cc(=O)oc3cc(C)c(C(C)C)cc23)nnc1-c1ccncc1 768414505 JJFXCWUMCFLANM-UHFFFAOYSA-N 446.576 5.747 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)cc1 772597262 RTEUEYWSNZHJCZ-FCHUYYIVSA-N 425.315 5.711 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc1 773261333 JCWIMXQRRAOSMZ-ISKFKSNPSA-N 445.494 5.610 30 20 IKED Cc1oc(-c2cccs2)nc1C(=O)OC[C@@H](C#N)Cc1cccc(Br)c1 774394487 WJHBGACDUVGDJG-CQSZACIVSA-N 431.311 5.013 30 20 IKED N#C[C@@H](C(=O)c1ccccc1NCc1cccnc1)c1nc(-c2c(F)cccc2F)cs1 776085239 ZLXCQDPLBATVAE-KRWDZBQOSA-N 446.482 5.585 30 20 IKED N#CCCN(C(=O)c1csc(COc2ccc(F)cc2)n1)C12CC3CC(CC(C3)C1)C2 776907976 GKUAQOMUTPHVSP-UHFFFAOYSA-N 439.556 5.186 30 20 IKED CCc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccc(C#N)c(Cl)c2)cs1 778534143 CKYFSQJZAPBHSK-UHFFFAOYSA-N 439.924 5.272 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 780669427 CLJDHBFLNHSHKP-HJPURHCSSA-N 437.902 6.023 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(C#N)cc2F)c([N+](=O)[O-])cc1OCc1ccccc1 781108821 TXWHHWDPOCIRKV-CSKARUKUSA-N 432.407 5.089 30 20 IKED N#Cc1cccc(COc2ccc(NC3CCN(CCC(F)(F)F)CC3)cc2Cl)c1 781529656 MKZFDHCFIGACFM-UHFFFAOYSA-N 437.893 5.619 30 20 IKED C[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 782239034 UVRXBSZUPZGJQG-SECBINFHSA-N 429.807 5.258 30 20 IKED Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 782352747 WWOXXVJLRKVNJB-UHFFFAOYSA-N 441.538 5.046 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3sccc3-c3ccc(F)cc3)ccc21 787515845 QRZOIJHVJVSHOX-UHFFFAOYSA-N 433.508 5.389 30 20 IKED C[C@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)C(=O)Nc1ccccc1Cc1ccccc1 796036880 PBXFENFIYADTJJ-IBGZPJMESA-N 426.516 5.263 30 20 IKED N#CC1(CCCOC(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)CCOCC1 800163246 DHHVTLDAMKKPIE-NRFANRHFSA-N 431.891 5.243 30 20 IKED N#CC1(CCCOC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CCOCC1 800200135 JLNTYFUGZMFIEW-UHFFFAOYSA-N 432.542 5.134 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)c3ccc(C(=O)C(C)C)cc3)n2)cc1 802053482 SDUFIRUMHKLLHL-IIBYNOLFSA-N 432.545 5.637 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(Br)cc2F)cc(OC)c1OCC(F)F 809158637 VKDMUBFXGOGPHH-ZZXKWVIFSA-N 445.231 5.145 30 20 IKED O=C(NOC/C=C/Cl)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 810208047 RZMNDIKDSXCLLF-YOLVWIGZSA-N 444.681 5.311 30 20 IKED Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1ncc(-c2ccccc2)s1 811633277 KXKGDLLVSXAMER-UHFFFAOYSA-N 432.361 5.546 30 20 IKED CC(/C=C\C(=O)c1ccc(S(=O)(=O)CC(F)F)cc1)=C\c1ccccc1OC(F)F 811690695 DPYORFLSKPWILW-UZEUEGTNSA-N 442.430 5.169 30 20 IKED N#Cc1cc(Oc2ccc(NC(=S)NCc3ccc(OC(F)(F)F)cc3)cc2)ccn1 811707590 DCLYBWAFVBDWRO-UHFFFAOYSA-N 444.438 5.131 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813214547 ZKFOQQWPMQDLAG-INIZCTEOSA-N 433.430 5.256 30 20 IKED CC(=NOCC(=O)N[C@H](C)c1ccc2ccccc2c1)c1nc2ccccc2n1C(F)F 813875172 IGLKIMWMYCTDDF-OAHLLOKOSA-N 436.462 5.203 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC(Cc3cccc(C(F)(F)F)c3)C2)cc1 814576621 FPZGTFQQGDAAMS-DEOSSOPVSA-N 449.476 6.067 30 20 IKED C=CCC(F)(F)C(=O)N(Cc1ccc(Br)cc1)c1ccc(NC(C)=O)cc1 815547980 IQTWBKYSJKCHNV-UHFFFAOYSA-N 437.284 5.152 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1 915086899 OKWKBTHBIBLSIY-DEOSSOPVSA-N 436.490 5.408 30 20 IKED N#C[C@H](C(=O)CCc1nnc(-c2ccccc2)o1)c1nc(-c2ccc(Cl)cc2)cs1 915102352 XTXHIKCFRVWGBW-QGZVFWFLSA-N 434.908 5.323 30 20 IKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)n1 915494196 ZMEOJALSPYJLAF-OAQYLSRUSA-N 435.549 5.016 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C\c1cc(Br)c(O)c(OC)c1 916564704 ZWKZJJACPRHLAH-DAXSKMNVSA-N 442.762 5.106 30 20 IKED N#C[C@H](C(=O)COc1cc(Cl)c(Cl)cc1Cl)c1nc(-c2ccccc2)cs1 917024907 CFQUSHJGSJGQLX-GFCCVEGCSA-N 437.735 6.026 30 20 IKED N#C[C@@H](C(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1nc2cc(Cl)ccc2s1 917047240 UPSCEHZSWXTZLJ-IBGZPJMESA-N 446.915 5.436 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)o1 917119438 FQRJCTDFXVGTRC-XMMPIXPASA-N 433.467 5.638 30 20 IKED CCOc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1 917563292 OSUNJTGLXLYAHB-MDWZMJQESA-N 426.925 5.776 30 20 IKED N#C[C@H](COC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Cc1ccc(F)cc1 920876113 BOSWQTNMOYZZFH-OAHLLOKOSA-N 447.293 5.646 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(F)F)cc4F)CCC3)cc2)C1 1785808545 LKCAISGNYGPTKV-UHFFFAOYSA-N 444.453 5.141 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@@H]3OCCc4ccccc43)cc2)CCC1 1786314330 PZTDEUQXYNPAMX-DVECYGJZSA-N 432.564 5.037 30 20 IKED Cn1ccc2cccc(C(=O)Nc3ccc(C4(NC(=O)c5cccc(C#N)c5)CCC4)cc3)c21 1789060615 HTVKMKXIJZYLIK-UHFFFAOYSA-N 448.526 5.111 30 20 IKED C=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccccc2CSc2ccccc2)C3)C1 1792503160 LJZAKFUPMSBHBK-NUNAXRQHSA-N 446.616 5.197 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2F)[nH]n1 1819301914 VNKDDRLCZCDDPG-JXFKEZNVSA-N 444.938 5.277 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3cccnc23)[nH]n1 1819305444 JEGXFDBEPCKORG-UGKGYDQZSA-N 443.551 5.032 30 20 IKED CCCCCc1ccc(/C=C/C(=O)N2CCC([C@H]3CCCCN3C(=O)CCC#N)CC2)cc1 1826686907 RWSWOADJUWURNO-ZSNJSTEGSA-N 449.639 5.356 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)c(C)c2)CC1 1828827526 OTDQBLQJMCCKGM-ISKFKSNPSA-N 426.576 5.136 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccoc3s2)CC1 1829067676 UQZJKHJNPLQJEQ-FQEVSTJZSA-N 442.625 5.720 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2Cl)CC1 1829893564 WQQIKNBWSUPJCB-QHCPKHFHSA-N 429.004 5.342 30 20 IKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)cc2Cl)CC1)C(F)(F)F 1832606907 BLHFJFWXKAIKNH-IBGZPJMESA-N 442.909 5.000 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@]3(C)CC=CCC3)CC2)c1 1832635940 ZIRYXFMVEDUJCV-LQCMOVKCSA-N 447.623 5.293 30 20 IKED COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Nc1cc(C#N)ccc1C)CC2 58453573 SYHGZWOIVCQCPW-VWLOTQADSA-N 427.504 5.064 30 20 IKED CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1 58560298 FUNPIQXSIRSZMQ-LJQANCHMSA-N 433.430 5.267 30 20 IKED Cc1ccnn1-c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 60739852 KYFNSUYNRUDIII-HSZRJFAPSA-N 426.907 5.742 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4ncccc4OCCCC#N)cc3)o2)cc1 72087509 AUORQYROLKVCBD-UHFFFAOYSA-N 439.475 5.042 30 20 IKED Cn1c([C@H](C#N)C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)nc2ccccc21 195727819 QLQSESPHMCWVKH-GFCCVEGCSA-N 427.316 5.494 30 20 IKED CCN(CCC(C#N)(c1ccccc1)c1ccccc1)CC(=O)Nc1c(F)cccc1F 216530346 FHWLKMKESZGUNN-UHFFFAOYSA-N 433.502 5.125 30 20 IKED N#CCCn1cc(CNCCCc2ccc(Br)cc2F)c(-c2ccccc2)n1 237696123 NKPZXBYCSFQDEX-UHFFFAOYSA-N 441.348 5.088 30 20 IKED CCCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C)cc1OCC 301768200 ZNAFUEZAFFBFBH-INIZCTEOSA-N 425.916 5.294 30 20 IKED CCCOc1ccccc1Oc1ncccc1CNC(=O)Nc1ccc(C#N)cc1Cl 426134007 PZGCGALSWVGRBR-UHFFFAOYSA-N 436.899 5.509 30 20 IKED N#C[C@@H]1CC[C@H](Sc2nnc(CNc3cccc(C(F)(F)F)c3)n2C2CCCCC2)C1 430096461 GIPMABQXUTXAMN-BEFAXECRSA-N 449.546 6.199 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@@H]2C[C@H]2c2cccc3ccccc23)nnc1-c1ccco1 431143668 MGUWSEOFGMXFKQ-LEWJYISDSA-N 444.560 5.032 30 20 IKED N#CCCC[C@@H](NC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccccc1 431382148 LHYUYNPTROFAGZ-HMXCVIKNSA-N 426.358 5.429 30 20 IKED Cc1ccc(C(=O)Nc2cccc(CNC(=O)N[C@@H](CCCC#N)c3ccccc3)c2)cc1 431819275 YTKBCTVPWIRCSI-VWLOTQADSA-N 440.547 5.482 30 20 IKED CC(C)(C)C(=O)NC1CCC(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 433380342 AUCWSCLCKTUKCZ-UHFFFAOYSA-N 437.515 5.149 30 20 IKED COc1ccc(-c2cc(NC(=O)C3(c4ccc(C#N)cc4)CC3)ccc2OC(F)F)cc1 435951039 YDNHMMSLIXGTHR-UHFFFAOYSA-N 434.442 5.506 30 20 IKED Cc1ccc(CN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C(C)C)s1 438702238 ZWIPRWQEAOONTN-UHFFFAOYSA-N 433.533 5.096 30 20 IKED CCCc1c(NC(=O)NCc2cccc(-c3ccccn3)c2)cnn1-c1cccc(C#N)c1 439688341 GIEOGAYKJYMLBS-UHFFFAOYSA-N 436.519 5.080 30 20 IKED C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 441569714 SIVHJJDZOATUPN-LIRRHRJNSA-N 445.441 5.003 30 20 IKED Cc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(C)c1 441738852 PPYRCQUFGIALDX-SFHVURJKSA-N 445.494 5.265 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 443877046 JDTZEDORBZWELI-UHFFFAOYSA-N 447.413 5.591 30 20 IKED C=CC[C@@H]1N(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)CCCC1(C)C 444903367 XYFIKGPOEJSLQO-FQEVSTJZSA-N 425.552 5.409 30 20 IKED N#C[C@H]1N(Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CCC[C@]12CCCCO2 447918585 ZQRIFLUKSKQPLQ-DENIHFKCSA-N 426.973 5.143 30 20 IKED Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)c1ccc(C#N)c(C)n1 460251738 MFEDXFBMNXDDGF-UHFFFAOYSA-N 427.483 5.559 30 20 IKED C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(n2c(C)nc3ccccc32)CC1 460564186 WKQNLZGWIGWTEE-UHFFFAOYSA-N 444.558 5.084 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)cc1 463128072 PYGCRIRGIAFQBM-VWNXMTODSA-N 428.557 5.501 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C)cc(Br)c3)n2)cc1 464509359 HWQLANWCWGKAPK-KRWDZBQOSA-N 427.323 5.380 30 20 IKED Cc1cc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc(C)c1OCc1cccnc1 464939868 PDJQSWPNZDLMMV-DQEYMECFSA-N 425.532 5.189 30 20 IKED N#Cc1ccc(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)c(Cl)c1 465386569 BHSIPJDYRDNIGZ-MRXNPFEDSA-N 427.938 5.336 30 20 IKED Cn1c(C(F)F)nc2cc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)ccc21 467200848 KCIAZHZEGWQSLN-LLVKDONJSA-N 444.413 5.403 30 20 IKED N#CCCCN1C(=O)CCc2cc(NCc3ccc(Br)c4cccnc34)ccc21 469257084 YAHACHHUDFEOTR-UHFFFAOYSA-N 449.352 5.192 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3ccc(C4(C#N)CC4)cc3)C2)n1 470410104 ZKZLAWMKBFLFRU-LJQANCHMSA-N 443.572 5.394 30 20 IKED COc1ccc([C@@H](NCc2nnc(-c3cccc(C#N)c3)o2)c2ccccc2Cl)cc1 471647365 PMTVRFPFFGBXAA-HSZRJFAPSA-N 430.895 5.149 30 20 IKED N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc1 471869741 IIVINUCUDHLLCG-GOSISDBHSA-N 443.894 5.177 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 473752595 DYZPXTMHFKIQQP-UHFFFAOYSA-N 445.470 5.095 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCCC[C@@H]1c1nc2ccccc2o1 474241737 XKXXOTIFFMDJNE-FXAWDEMLSA-N 434.565 5.245 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F 480298495 XYDUKIZOZXQQBM-UHFFFAOYSA-N 446.477 5.279 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 480991317 MHCWPSLLPJVZJQ-UHFFFAOYSA-N 441.866 5.221 30 20 IKED O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)N[C@H](c1c[nH]c2ccccc12)C(F)(F)F 483857437 OMRCHGIPZUWSJB-JKSUJKDBSA-N 433.327 5.355 30 20 IKED COC(=O)CSCc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 485219658 AMIIYEFRYSCJHN-UHFFFAOYSA-N 448.569 5.368 30 20 IKED Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 487080906 UZASWMNMAVEKDO-UHFFFAOYSA-N 428.879 5.955 30 20 IKED Cc1cccn2cc(COc3ccc(C(=O)N[C@H](CCCC#N)c4ccccc4)cc3)nc12 487314814 OROGYEBNCLVIIZ-RUZDIDTESA-N 438.531 5.387 30 20 IKED Cc1cccc(OC(F)F)c1NC(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 492082149 QRVLGXNUUKLCQH-AWEZNQCLSA-N 440.315 5.623 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 495136588 ILBYSALBRFDSSD-UHFFFAOYSA-N 434.443 5.293 30 20 IKED CCN(C(=O)CCc1ccc(C#N)cc1)[C@H](c1ccc(Br)cc1)c1cccnc1 496533061 GBYJINUBKLIXMR-XMMPIXPASA-N 448.364 5.286 30 20 IKED N#C[C@H](NC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccc(Br)cc1 499409309 UAHJMRGLFUOVEV-HNNXBMFYSA-N 438.306 5.313 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)c1 501782940 XHWFDPWRVYTLCX-HSZRJFAPSA-N 444.535 5.301 30 20 IKED Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 503973829 RSNPHXQJRCPIRT-UHFFFAOYSA-N 445.906 5.295 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)CCSc3ccc(Br)cn3)c2C#N)C1 505634114 LNDYRCUTXPDWTM-LLVKDONJSA-N 436.400 5.023 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@@H](C#N)c1ccccc1F 505923750 XWCFTZAQDXDFJI-UGSOOPFHSA-N 429.904 5.137 30 20 IKED C=CCc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)cc(OC)c1OC 511471619 JZOHIYRGZRIQQJ-FQEVSTJZSA-N 447.579 5.383 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCC3)c1 512663512 MRQWOQLLEXJJMI-UHFFFAOYSA-N 435.961 6.291 30 20 IKED Cc1ccc(Sc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)cc2[N+](=O)[O-])cc1 513660366 KXZFXICZPYLTTE-QGZVFWFLSA-N 428.473 5.421 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccccc4)c3C(C)C)n2)cc1 516269995 IMZCLNLGSMCLIX-HXUWFJFHSA-N 442.544 5.618 30 20 IKED N#CCCSc1ccccc1NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 517441496 ZOHWTWJVSXHSCO-UHFFFAOYSA-N 427.614 5.276 30 20 IKED CCOc1cc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1OC(F)F 517474195 YOJMFBBMLOTPKF-AWEZNQCLSA-N 435.496 5.260 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 518257037 YACZZJMJABMVRX-SFHVURJKSA-N 436.581 5.029 30 20 IKED C=CCN(C(=O)c1cc(C(C)=O)cs1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 518556020 WHGIHHNVGAMHJI-UHFFFAOYSA-N 444.581 6.574 30 20 IKED Cc1noc(CSc2ccccc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)n1 519994044 LWNODJXXOPRRTI-UHFFFAOYSA-N 442.500 5.587 30 20 IKED CC(=O)c1ccc(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)o2)cc1 521259402 OYOPTUMLBZNPHG-INIZCTEOSA-N 448.450 6.041 30 20 IKED Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 522570626 BGNRLOXBHABESI-UHFFFAOYSA-N 447.922 5.332 30 20 IKED CC(C)n1ncc2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)cnc21 524248993 QIAHLHAIZGWDQS-UHFFFAOYSA-N 445.910 5.369 30 20 IKED COc1cc(C#N)ccc1OCC(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 524495464 LAMIAEOUMPNYAE-UHFFFAOYSA-N 443.434 5.064 30 20 IKED CC(C)(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1ccc(Cl)cc1 525024741 AQZMIFIXAPBIJB-NRFANRHFSA-N 447.000 5.325 30 20 IKED Cc1nc(SCc2nnc(-c3ccc(C#N)cc3)o2)c2cc(-c3ccccc3)sc2n1 525622559 PBDOEUNXPIJSNX-UHFFFAOYSA-N 441.541 5.881 30 20 IKED Cc1nnc(SCc2c(C(=O)[C@@H](C#N)c3nc4ccccc4o3)oc3ccccc23)s1 527101427 MCYPQLTXKOVBTP-CQSZACIVSA-N 446.513 5.516 30 20 IKED C=C[C@H](CC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1)c1ccccc1 533950291 SELSFYQNYNBUFN-LJQANCHMSA-N 443.522 5.714 30 20 IKED Cn1c(C2CC2)nc2cc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)ccc21 536446991 GCRYTIVSRAZWIX-UHFFFAOYSA-N 438.556 5.867 30 20 IKED CCN(CCC1CCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1)CC(C)C 539128361 RQNSRKHCIARJJY-FQEVSTJZSA-N 430.662 5.550 30 20 IKED Cc1cc(C)cc([C@H]2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)c1 541435014 ABEVJLZLKWNXEG-QHCPKHFHSA-N 439.559 5.970 30 20 IKED O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CC12CCOCC2 544027938 UTKZADORRIRKFZ-CHWSQXEVSA-N 449.313 5.261 30 20 IKED Cc1ncc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c(C2CC2)n1 544033693 KCHUZBJOFVCHRT-UHFFFAOYSA-N 438.409 5.598 30 20 IKED CS[C@@H]1C(=O)Nc2ccc(-c3noc(/C=C/c4cn(CCC#N)c5ccccc45)n3)cc21 546504906 NNEJBIDARKJGKE-RCHCNPRSSA-N 441.516 5.132 30 20 IKED CCCCn1c(SCCOCCC#N)nc2scc(-c3ccc(F)cc3)c2c1=O 549011640 CLRQQKHZYWBDPI-UHFFFAOYSA-N 431.558 5.087 30 20 IKED Cc1nc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)sc1Cc1ccccc1Cl 549520068 QCFMUZHQLXSVMJ-UHFFFAOYSA-N 436.846 5.234 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(OCc4ccncc4)cc3)c2)c1 551390338 SSXCSQQKRPEYLL-UHFFFAOYSA-N 448.482 5.037 30 20 IKED Cc1cc(N2CCCCCC2)ccc1NC(=O)c1occc1COc1cccc(C#N)c1 552957734 JKTGKEZOTDYQPX-UHFFFAOYSA-N 429.520 5.671 30 20 IKED CC(C)Oc1ccc([C@@H](CNC(=O)Nc2ccccc2SC[C@H](C)C#N)N(C)C)cc1 554444734 QEQYJJYZJWCNQX-XMSQKQJNSA-N 440.613 5.150 30 20 IKED C=C(C)CN1CCC(NC(=O)C(C)(C)c2csc(-c3c(F)cccc3Cl)n2)CC1 555023460 KGGGOWCTVXGEQI-UHFFFAOYSA-N 435.996 5.037 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[C@@H](C2CCOCC2)C1 555268836 PFJCNSQSIKCFGG-HYBUGGRVSA-N 446.595 5.400 30 20 IKED Cc1cc(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)sc1-c1ccc(F)cc1 588032948 WXRJYVIWYBOVEQ-CHWSQXEVSA-N 439.396 6.066 30 20 IKED CC(C)(C#N)c1ccc(CNC2(Cc3ccc(F)cc3Br)CCOCC2)cc1 590185368 DKDPZYQXAQLXGA-UHFFFAOYSA-N 445.376 5.271 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 603806928 ANOMGMQVQVFFKV-UHFFFAOYSA-N 440.591 5.409 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 603829007 LTEKMXZASZHCEJ-OAQYLSRUSA-N 449.938 5.677 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1sc2c(c1C#N)CCCC2 603946127 VVYFLCZDEQPIEG-UHFFFAOYSA-N 439.537 5.512 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H](Oc3ccccc3)c3ccccc3)c2)c1 603994706 HUOWQDIJGCGDAN-SANMLTNESA-N 447.494 5.569 30 20 IKED Cc1ccc(CN(C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)o1 604211462 JYUAEQVNIYKVJK-JOCHJYFZSA-N 447.922 5.027 30 20 IKED N#CCC[C@@H](C#N)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3 608854011 FJBNOAINRNBTBU-SFHVURJKSA-N 448.617 5.115 30 20 IKED CCC[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 608864731 PRMQPXIAFLJQIU-QFIPXVFZSA-N 446.517 5.192 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCc1cccc2cccnc12 609078301 IIZZXGIJRKURMZ-UHFFFAOYSA-N 436.515 5.358 30 20 IKED N#CCn1c(C(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)cc2ccccc21 609171145 BBYAPMBBQLCSHS-UHFFFAOYSA-N 445.526 5.007 30 20 IKED Cc1c(Cl)cccc1NC(=O)CCNCc1cccc(OCc2ccccc2C#N)c1 609433193 FVZLZGMQXKPIGY-UHFFFAOYSA-N 433.939 5.218 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccc(F)cc2)cc1 609435087 OIOMYHMNDOHZJW-OSPHWJPCSA-N 449.551 6.140 30 20 IKED CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 609501378 JLPWOMQFZRHJMA-UHFFFAOYSA-N 441.531 5.716 30 20 IKED Cc1cccc(COc2cccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c2)c1 609555919 XMTVSQQHPMCOCJ-UHFFFAOYSA-N 441.531 5.521 30 20 IKED C[C@@](CO)(NCc1cccc(OCc2cccc(C#N)c2)c1)c1cccc(C(F)(F)F)c1 609710955 NSHZHKSXRGVNII-DEOSSOPVSA-N 440.465 5.153 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N(Cc2ccco2)CC(F)(F)F)c1 609722282 QEUMNXIRYHGAGG-UHFFFAOYSA-N 434.801 5.802 30 20 IKED COc1cccc(Cc2nnc(NC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)s2)c1 609989472 DZOYNJBXTHWHRL-UHFFFAOYSA-N 441.516 5.005 30 20 IKED COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)NCc1ccc(C#N)cc1F 610402417 MCSHYYFSXKEXDJ-LJQANCHMSA-N 431.511 5.049 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)C(F)(F)F 614252119 HXQMLQLYJCITSX-SPLOXXLWSA-N 441.457 5.025 30 20 IKED N#Cc1ccc(N2CCC[C@H]2c2nc(Cc3c[nH]c4ccc(Br)cc34)no2)cc1 615131318 JNFISUDLRUXENS-FQEVSTJZSA-N 448.324 5.117 30 20 IKED C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(C(F)(F)F)c3)n2Cc2ccccc2)C1 619820508 CTABRCZEOHAJDQ-QFIPXVFZSA-N 425.458 5.142 30 20 IKED O=C(Nc1cccc(OC(F)(F)F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642482821 LQPROTQXEOQFMH-JZYVYDRUSA-N 438.290 5.616 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)c1C(F)F 676153827 GOSBXPHEBDNLRU-QMMMGPOBSA-N 445.310 5.249 30 20 IKED C#Cc1cccc(NC(=S)N2CCc3cc(OC)c(OC)cc3[C@H]2c2cccs2)c1 726440566 CZTFWBUKTWOSCX-QHCPKHFHSA-N 434.586 5.091 30 20 IKED CCN(C[C@H](C)C#N)Cn1nc(Cc2ccccc2)n(-c2ccc(Cl)cc2)c1=S 726964052 RQGWXMFJUPGLPE-QGZVFWFLSA-N 425.989 5.087 30 20 IKED C[C@H](NC(=S)NN=Cc1csc(-c2ccccn2)n1)c1ccc(Cl)cc1Cl 727061506 JIULZAYKWGVGAU-NSHDSACASA-N 436.393 5.071 30 20 IKED FC(F)C(F)(F)COc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cn1 729159606 OENVYDZXHGBYSM-UHFFFAOYSA-N 427.345 5.189 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3Cl)n2)cc1 730692156 URCKLAXECAQWNS-RCCFBDPRSA-N 438.339 5.969 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=S)Nc1ccc([N+](=O)[O-])cc1 730954996 REIUGPDUCYGMRB-UHFFFAOYSA-N 426.445 5.428 30 20 IKED C=CCn1c(-c2cccc(C)c2)nn(CN(C)[C@@H]2CCCc3nc(C)sc32)c1=S 732190176 YDGZGAQRRMQXSP-LJQANCHMSA-N 425.627 5.307 30 20 IKED CC(=NNc1ncnc2cc(-c3ccc(Br)cc3)sc12)c1nccs1 732622207 NOIYJWHLSTWKEX-UHFFFAOYSA-N 430.356 5.413 30 20 IKED C[C@H](OC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)N(CCC#N)c1ccccc1 733523292 NCZCTEYJDIOGNC-SJORKVTESA-N 432.442 5.078 30 20 IKED C=CC[C@H](NC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)c1ccncc1 734460575 QNNLPQNWQNKKDC-NRFANRHFSA-N 446.938 5.097 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C)c(Oc3ccncc3)c2)cc1 734706579 NASXGAGATASHOP-GAJHUEQPSA-N 427.504 5.657 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cc(N3CCCC3=O)ccc2F)c1 735004219 YMQDVZHZWPBIJC-UHFFFAOYSA-N 449.869 5.522 30 20 IKED CN1CCC[C@@H](CNC(=O)c2ccccc2SCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 735477090 KWPBFUKTCAXCMV-UWJYYQICSA-N 447.526 5.134 30 20 IKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccc(C(C)(C)C)cc2)NC1=O 736640421 CWFGRTHBQWCEOF-GOSISDBHSA-N 429.973 5.194 30 20 IKED C[C@@H]1COCCN1c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 738549786 BXDVCBCBKDVPBI-LJQANCHMSA-N 443.572 5.328 30 20 IKED CC(C)(C)NC(=O)c1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 740434747 OBVRQLSAWLJEFV-UHFFFAOYSA-N 432.549 5.137 30 20 IKED COc1cc(/C=C2\CCc3cc(C#N)ccc3C2=O)cc(Br)c1OC(F)F 742436591 CKOZDWLIMMEIKQ-VGOFMYFVSA-N 434.236 5.143 30 20 IKED CC(C)Oc1ccc([C@@H](O)CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 743238883 XKVXDRMLDMSQPD-QFIPXVFZSA-N 449.482 5.132 30 20 IKED C[C@@H](OC(=O)CSCc1ccc(C#N)cc1)c1ccc(N(C)Cc2ccccn2)c(F)c1 744202552 GZYFYLVJZNIGPF-GOSISDBHSA-N 449.551 5.266 30 20 IKED COc1cccc(CN(CC(C)C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 746659623 MKJFNXVASVFHKG-SANMLTNESA-N 427.548 6.041 30 20 IKED CC(=O)CCc1ccc(OCCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 747021887 RHHMOCPUJZKBCE-QFIPXVFZSA-N 432.545 5.286 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)c1ccccc1NC(=O)c1ccccc1 748021117 SPXNAHIUPVKXOR-UQBPGWFLSA-N 442.515 5.518 30 20 IKED Cc1ccc(Cn2nc(C)c(/C=C\C(=O)c3ccc(N4CCOC4=O)cc3)c2Cl)cc1 748583582 HBZCTDCFTGHURE-QXMHVHEDSA-N 435.911 5.054 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Cc2cc3c(ccc4ccccc43)o2)ccc1OC 753154251 WTTLJLPCPCVOGH-IBGZPJMESA-N 428.488 5.134 30 20 IKED C[C@H](OC(=O)c1c(F)cc(C#N)cc1F)C(=O)N1c2ccccc2Sc2ccccc21 756590309 PDICYVLCKAOZIS-ZDUSSCGKSA-N 436.439 5.211 30 20 IKED O=C(/C=C/c1cc(Cl)ccc1OC[C@H]1CCCO1)c1cc(Br)ncc1F 762422867 BBYRTLASBHFCQU-LYKUJDHUSA-N 440.696 5.091 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cn1nc(-c2ccco2)n(Cc2ccco2)c1=S 765046656 GBCUWAITALCANG-LEWJYISDSA-N 445.548 5.045 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C)OC(=O)c1cn(CCCC#N)c2ccccc12 769543560 IJNUXUUSMWHPMF-GOSISDBHSA-N 431.536 5.254 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc2cc(Br)ccc2c1 772972596 UOGNXMRTCPHRMN-INIZCTEOSA-N 427.685 5.217 30 20 IKED CC(C)[C@H]1C[C@H]1C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 774270766 GJGLYVCEVMKTHT-RNFRBKRXSA-N 442.240 5.263 30 20 IKED COc1ccccc1CSc1ccccc1NC(=O)Nc1ccccc1O[C@H](C)C#N 780598688 HOCACGYOBXKDLA-QGZVFWFLSA-N 433.533 5.922 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 780677650 GXTMXTKLQOHZQG-ZBEGNZNMSA-N 429.345 5.004 30 20 IKED Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 782582210 GNGOTFYXNZCLGY-NSHDSACASA-N 447.467 5.033 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H]2c2ccc(Br)s2)c1 784322742 GLCTUGTZALNOKO-DOTOQJQBSA-N 448.386 5.238 30 20 IKED Cc1c(C(=O)[C@@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cnn1C1CCCCC1 787049633 HWAAZRCYLFBJJE-FZKQIMNGSA-N 447.366 5.203 30 20 IKED O=C(C[C@H]1SC(=Nc2ccsc2)N(C2CC2)C1=O)Nc1cccc(Cl)c1Cl 790739979 ALHFUMJTGDTSCN-CQSZACIVSA-N 440.377 5.178 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2c(-c3cccc(Cl)c3Cl)noc2C)c1 797451060 IMCOMEBEPQKKGU-OAHLLOKOSA-N 444.318 5.568 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)ccc21 797568917 XXCCGGODDQHTDQ-QGZVFWFLSA-N 439.581 5.618 30 20 IKED O=C(C[C@@H]1CCC(F)(F)C1)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 797811332 DZOPNGCDIHQRSM-JTQLQIEISA-N 435.311 5.333 30 20 IKED CC[C@H](NC(=O)[C@H](C#N)C(=O)c1ccc(-c2cccc3cccnc23)cc1)c1ccccc1 802799890 MNEFDPTXJJGZEY-RPBOFIJWSA-N 433.511 5.492 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)OCc1cc(F)c(C(F)(F)F)cc1F 805526002 RQMQEQHEENMJNX-QMMMGPOBSA-N 444.322 5.206 30 20 IKED COc1ccc(C(=O)/C=C\c2cc(C(F)(F)F)ccc2Br)cc1NC(C)=O 811689821 MOYDGKBHSSBAFM-CLTKARDFSA-N 442.231 5.331 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nc(C)cc(C(F)(F)F)c2C#N)cc1 856970791 QLKBVWXJADTYQI-OAHLLOKOSA-N 432.471 5.016 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2cccc(C(F)(F)F)c2)cs1 916260172 RGMXLLAAXPENNQ-UHFFFAOYSA-N 432.471 5.909 30 20 IKED COc1ccc2ccccc2c1C=Nn1cnc2sc(C)c(-c3ccccc3)c2c1=O 916283455 BCRYUJUGHDSXLV-UHFFFAOYSA-N 425.513 5.477 30 20 IKED Fc1ccc(-c2ccc(C=Nn3c(S)nnc3-c3ccc(OC(F)F)cc3)o2)cc1 916333558 OJADFQBEUHBTJY-UHFFFAOYSA-N 430.411 5.117 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 916888134 RXMSRHTXXLKVNT-CQSZACIVSA-N 446.866 5.006 30 20 IKED N#C[C@H](C(=O)NCc1ccccc1)C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 916889824 XMXCPSHRZCTCTB-KRWDZBQOSA-N 429.328 5.361 30 20 IKED CCc1nc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc([C@@H](C)CC)cc3)cc2nc1CC 916947573 NFYIJDMCWOBJCT-OXJNMPFZSA-N 428.536 5.229 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(NC(=O)C3CCCCC3)c2)cc1 916950642 VIJLAHQOVUVPEI-KOSHJBKYSA-N 445.563 5.680 30 20 IKED N#C[C@@H](C(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1)c1nc(-c2ccccc2)cs1 917025530 MSSAXYCHOOSMBL-FPOVZHCZSA-N 437.524 5.193 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2ncccc2C(F)(F)F)cs1 917548623 UKEUWAIOIWFTHF-UHFFFAOYSA-N 439.850 5.341 30 20 IKED Cc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(Cl)cc2Cl)cc1 917612934 IDULRDXKAPDVAY-UHFFFAOYSA-O 441.363 5.784 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CSCc3cccc(Cl)c3)n2)cc1 920139266 PUUPFIFXRHMFFP-SFHVURJKSA-N 428.966 5.582 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc4c5c([nH]c34)CCCC5)n2)cc1 920139697 YDJMFJNDEUYDHI-FQEVSTJZSA-N 427.529 5.669 30 20 IKED C[C@H](OC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(Cl)c1 920839848 NUBYRWKZZIXDJP-ZDUSSCGKSA-N 442.834 5.082 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(N2CCOC2=O)cc1 920977455 YPDAHZQKNHNRIS-UUOWRZLLSA-N 440.503 5.181 30 20 IKED C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 921218669 LJPGPVWMMDHKOI-LBPRGKRZSA-N 427.353 5.087 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4nccnc4c3)cc2)CCC1 1789064054 AXVXMUYICJXGII-QFIPXVFZSA-N 440.547 5.146 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CS[C@@H]3CCCCO3)cc2)CCC1 1789543657 LOXXQZOAKLTXQW-HSZRJFAPSA-N 442.625 5.149 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3cccc(OC)c3)CCC2)cc1 1791730398 GUTUAHLWJYTMSX-SFQUDFHCSA-N 430.548 5.036 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](F)c2ccccc2)n[nH]1 1815550615 XFEUUOPYQBHPEC-FPOVZHCZSA-N 426.536 5.105 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ncccc3c2)CC1 1828031383 JKZDRMSIRRVTQW-VWLOTQADSA-N 447.623 5.461 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1ccc(Cl)c(C(F)(F)F)c1)C2 1844356902 DVVKUGKQIYCTFF-UHFFFAOYSA-N 442.909 5.168 30 20 IKED Cn1ccnc1[C@@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 16977686 FOXJWRZLQMKZPH-INIZCTEOSA-N 445.338 5.116 30 20 IKED Cc1nc(SCC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c(C#N)c(C)c1C 24367466 KLDJFXQYXOTBKU-UHFFFAOYSA-N 445.548 5.253 30 20 IKED C=CCn1c(SCC(=O)N2c3ccccc3CCc3ccccc32)nnc1-c1ccco1 26846882 HPIOREMMSODQAY-UHFFFAOYSA-N 442.544 5.280 30 20 IKED C#Cc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)c1 29478825 JFRGPOGGRJAQPM-UHFFFAOYSA-N 445.327 5.028 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(CN2CCCCCC2)CC1 58881658 AYGVQAONUUPYED-UHFFFAOYSA-N 433.621 5.438 30 20 IKED Cc1ccc(-c2nc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)cs2)c(C)c1 63936362 JGHKQKXGKULPDE-UHFFFAOYSA-N 429.467 5.503 30 20 IKED Cc1ccc(C(C)C)c(OC/C(O)=N/c2ncn(Cc3cccc(Br)c3)n2)c1 64463323 CVRABWPKFRAIDW-UHFFFAOYSA-N 443.345 5.188 30 20 IKED COc1ccc(CNC[C@H]2CC3c4ccccc4C2c2ccccc23)cc1OCCCC#N 64614432 LCRMEAQPCFYFQB-OYKBBOKPSA-N 438.571 5.765 30 20 IKED C=CCc1cc(CNC(=O)Cc2csc(-c3ccccc3Cl)n2)cc(OC)c1OC 65064284 GDEZPRTZOOZIRO-UHFFFAOYSA-N 442.968 5.068 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 115773216 MEBGCHITBLIAHL-UHFFFAOYSA-N 425.897 5.176 30 20 IKED COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1 303573502 CCZIZTSZAYENNM-VWLOTQADSA-N 442.515 5.132 30 20 IKED CCn1c(S[C@@H]2CC[C@@H](C#N)C2)nnc1-c1cc(-c2ccccc2)nc2ccccc12 430089445 NISBWSGJEKJDAT-IEBWSBKVSA-N 425.561 5.965 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1 435665362 VJQCUVFXASZTFP-FQEVSTJZSA-N 433.474 5.371 30 20 IKED CCCc1c(NC(=O)c2ccccc2-c2nc(C(C)C)no2)cnn1-c1cccc(C#N)c1 440070480 KIJFQBJPTNPTCK-UHFFFAOYSA-N 440.507 5.122 30 20 IKED C=CCC[C@H](NC(=O)NC1CCN(C(=O)CC(C)C)CC1)c1ccc(C(F)(F)F)cc1 440825796 LQAKYGFTPJPQRA-FQEVSTJZSA-N 439.522 5.049 30 20 IKED COc1cc(C(C)=O)ccc1SCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 441960138 RWDJBKVNCPTOLA-UHFFFAOYSA-N 439.581 5.424 30 20 IKED Cc1cc(C(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(C(F)(F)F)o1 446244501 OISCDLSHBSNMEQ-LBPRGKRZSA-N 433.270 6.049 30 20 IKED CO[C@H](C)c1nc(CN2CCCN(c3c(C#N)cnc4ccc(C(C)C)cc34)CC2)cs1 447686828 RRFHIWZICZQVHI-GOSISDBHSA-N 449.624 5.106 30 20 IKED CN(C)c1ccc(-c2cncc(C(=O)N(CCC#N)C34CC5CC(CC(C5)C3)C4)c2)cc1 460458988 IZTXEZMOMHWCHH-UHFFFAOYSA-N 428.580 5.139 30 20 IKED COc1ccc([C@H](Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)c2ccc(F)cc2)cc1 462386181 CIQUDQWRRLWIDN-XMMPIXPASA-N 428.423 5.364 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4cc(C(F)(F)F)ccn4)cc3)o2)cc1 464415613 ZGSCFLFSPAMCSG-IBGZPJMESA-N 448.404 5.616 30 20 IKED Cc1cc(C(F)(F)F)ncc1NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 464659660 AJAGYUZEVGMJPG-UHFFFAOYSA-N 436.865 5.179 30 20 IKED C[C@@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(F)cc1F 466439989 CBOQKGUXODCTJK-KRWDZBQOSA-N 435.474 5.535 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cc(Cl)ccc1OC(F)F 467703788 FPUFAUDURWZBDG-LBPRGKRZSA-N 425.888 5.657 30 20 IKED C=CCOc1c(Br)cc(CN2CCC[C@@H]2c2ccc(COC)o2)cc1OC 468697336 QELFYAYBZSXAFG-GOSISDBHSA-N 436.346 5.099 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3cc4sc5ccccc5c4s3)ccc21 469970018 VJQIJYSRMCRJAP-UHFFFAOYSA-N 445.569 5.951 30 20 IKED Cc1cccc(C2(CNC(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)CCCC2)c1 470565749 TWJGWHAGZYIZFZ-UHFFFAOYSA-N 444.579 5.212 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)C2CC2)cc1 471302706 CTPQFNILGCCJCP-UHFFFAOYSA-N 427.892 5.066 30 20 IKED Cc1csc(NC2CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)CC2)n1 474806703 GEXJWECYPZPANM-UHFFFAOYSA-N 434.590 5.191 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)Nc1ccccc1SC[C@H](C)C#N 477590770 TUIGUKOGHSZMCO-OLZOCXBDSA-N 439.507 5.197 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)c1csc(CC)n1 479161786 JHKIXYLTORLAJV-GFCCVEGCSA-N 426.355 5.066 30 20 IKED O=C(N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)N(CCC(F)(F)F)CC1CC1 482416814 CVQHHEZVZKPGNZ-ZDUSSCGKSA-N 434.327 5.265 30 20 IKED COC(=O)c1ccoc1CSc1ccccc1C(=O)[C@@H](C#N)c1nccc2ccccc12 483203430 RENJHMQMQUIUSY-FQEVSTJZSA-N 442.496 5.397 30 20 IKED C=C[C@H](CC(=O)Nc1c(Br)cc(F)cc1Br)c1ccccc1 484182068 VEWUBZCJIHQCGK-LLVKDONJSA-N 427.111 5.649 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1nn(-c2ccc(Cl)cc2)cc1C 484488457 OBUROVOHUYGAIF-UHFFFAOYSA-N 426.952 5.222 30 20 IKED Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)Nc1sc2c(c1C#N)CCCC2 485383082 UQLRLUALEYWEHP-UHFFFAOYSA-N 432.332 6.021 30 20 IKED O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1cccc(CO)c1 487033065 LSTKNADAXMPLMK-CQSZACIVSA-N 445.281 5.250 30 20 IKED N#CCCC[C@H](NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1 487498912 GRJOLPQSNQVJMZ-KRWDZBQOSA-N 431.483 5.799 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(F)cc2Cl)nnc1-c1cccc(Cl)c1 489621776 KJOKKOAGDJXITI-UHFFFAOYSA-N 437.327 5.308 30 20 IKED Cn1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(Cl)c2ccccc21 490645708 CLRHYOVIHMWIJM-UHFFFAOYSA-N 429.907 5.729 30 20 IKED CC(C)n1c([C@H](C)NC(=O)c2occc2COc2cccc(C#N)c2)nc2ccccc21 495535576 TWNRGWYMIRBQCF-KRWDZBQOSA-N 428.492 5.152 30 20 IKED Cc1nc([C@@H]2CCCCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)no1 501406822 MXRYLEIBTPZRKC-IBGZPJMESA-N 435.459 5.330 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)CSCc3cc(-c4cccs4)on3)n2)c1 502397830 CCZDQEULZWYQHU-UHFFFAOYSA-N 438.559 5.270 30 20 IKED C[C@H]1CCCCN1CCCCNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 502862707 UOJGTXVAQIEYIH-NRFANRHFSA-N 434.584 5.108 30 20 IKED COc1cc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(C)c(OC)c1 504965716 PVQPOWZIVBENCO-UHFFFAOYSA-N 433.483 5.257 30 20 IKED CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 508252254 OCPUGVJIVOPGSA-UHFFFAOYSA-N 431.492 5.422 30 20 IKED C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@H](c2cccs2)C1 508701514 WJZWYBUFUMCNRW-NRFANRHFSA-N 438.597 5.114 30 20 IKED C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 508808757 ICKUMJFKNVJQSS-UHFFFAOYSA-N 437.547 5.087 30 20 IKED CCN(C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 509594988 YCXHFZQDFBGSIQ-KRWDZBQOSA-N 429.568 5.467 30 20 IKED CCN(C(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C)c1ccc(C#N)cc1 510390334 RJGXZBHQVHXLSQ-UHFFFAOYSA-N 441.915 5.640 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1 510857040 KSROSBISKTVGAA-UHFFFAOYSA-N 431.540 5.224 30 20 IKED CC(C)c1nc(C(=O)[C@H](C#N)c2nc3ccccc3o2)nn1-c1c(Cl)cccc1Cl 510955528 YISLWGQAAZOOKD-LBPRGKRZSA-N 440.290 5.329 30 20 IKED O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)[C@@H]1CC[C@H](C(F)(F)F)C1 512535703 CNGXIWCSNDSEIN-MNOVXSKESA-N 436.327 5.949 30 20 IKED CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)nc2ccccc21 514842335 ZTUWXRPUXNFXAZ-UHFFFAOYSA-N 443.576 5.125 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2cccc(Cl)c2)n1)c1nc(-c2ccc(Cl)cc2)cs1 516465468 ROSANKWKIBYOAX-KRWDZBQOSA-N 439.327 5.793 30 20 IKED C=CCOc1c(Br)cc(CNCc2ccc(C(F)(F)F)cc2)cc1OC 518271227 OIRORIZGJMQSAX-UHFFFAOYSA-N 430.264 5.331 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCCC[C@H]3c3ccccc3)cc2)c1 518750637 XQDSZBQPGJHKKN-DQEYMECFSA-N 439.515 5.132 30 20 IKED CC[C@@H](c1ccccc1)N(CC)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 519913023 AVPVVOIXZLHHDD-SANMLTNESA-N 427.548 6.337 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2sc(COc3ccc(F)cc3)nc2C)cc1 521267813 AHEMGGREWQJKHZ-UHFFFAOYSA-N 439.512 5.129 30 20 IKED Cc1ccc([C@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)N(C)C)cc1 521500911 SDCURWVQNDBZOA-DEOSSOPVSA-N 429.589 5.192 30 20 IKED N#Cc1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccc3ccccc3c2)cc1Cl 521894725 NBMRCUVSUOEBAG-DEOSSOPVSA-N 439.902 5.209 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 532490323 XKDJSRMWNYZUPC-HOTGVXAUSA-N 435.515 5.731 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3Cn3cnc4ccccc43)cc2)cc1 534463096 RIMHGZUGBQANJJ-JOCHJYFZSA-N 436.515 5.199 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1cc(Br)ccc1Cl 535135064 RYZHIAVEQZBJHA-LBPRGKRZSA-N 439.762 5.514 30 20 IKED Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 537103574 FWOYCIJJQJOIQF-HSZRJFAPSA-N 429.524 5.041 30 20 IKED Cc1nn(C)c(C)c1[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(F)(F)F 538617353 NRKZZSSFAOERBK-HXUWFJFHSA-N 443.429 5.126 30 20 IKED C=CCC[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(C(F)(F)F)cc1 540151156 MXHZMWXBCOHWPO-LIRRHRJNSA-N 429.479 5.606 30 20 IKED Cc1cc(N(CCC#N)C(=O)CN[C@@H](C)c2ccc(-c3ccncc3)cc2)ccc1Cl 540437337 GDKGSFOWUNGAGG-IBGZPJMESA-N 432.955 5.308 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)c12 541365796 QXPFNWVMYVWPPV-UHFFFAOYSA-N 427.552 5.049 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2cc(Br)ccc2N2CCCC2)C2CC2)cc1 541475755 DOFBZMIZWZHNIS-UHFFFAOYSA-N 439.357 5.117 30 20 IKED C[C@H](NC(=O)[C@H](OC1CCOCC1)c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 542928531 RUVHUBDWVBNMBR-CCLHPLFOSA-N 440.543 5.339 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC(CCCn3ccnc3)CC2)c1 543095813 PHASAMPYSRELBO-UHFFFAOYSA-N 448.954 5.533 30 20 IKED C[C@@H]1C[C@H](CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCO1 544247636 HJPRDXLHEUTGNI-IAGOWNOFSA-N 427.932 5.117 30 20 IKED Cc1ccc(Oc2ncccc2-c2noc(-c3cc(C#N)cs3)n2)c(Br)c1 547249877 MMBHWBCWQJNRAQ-UHFFFAOYSA-N 439.294 5.595 30 20 IKED Fc1ccc(-c2cnc(CN[C@@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)o2)cc1 547749345 HSOHSQSJLMSYKT-INIZCTEOSA-N 432.339 6.283 30 20 IKED Cc1ccc(F)c(C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)c1F 548316484 UWRQLKZERBCIHC-UHFFFAOYSA-N 443.290 5.408 30 20 IKED C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(OCC2CC2)CC1 549691090 VAUZICHPFCZALR-UHFFFAOYSA-N 438.616 5.260 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 554436068 XWSJOMRKVUAOHY-OAQYLSRUSA-N 426.561 5.022 30 20 IKED Cc1nn(C)c(C)c1[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(F)(F)F 556564398 CTBBPXQUBGOISH-HXUWFJFHSA-N 443.429 5.126 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(COc2c(C#N)cnc3ccc(C)cc23)cs1 562349312 KWADWFYXXMENQE-UHFFFAOYSA-N 448.935 5.788 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1sc([C@@H]2CCCOC2)nc1C 568658292 NYBOMHSIIWFFLC-HXUWFJFHSA-N 447.560 5.357 30 20 IKED N#CCCCn1cc(-c2nc(Cc3ccc(OCc4ccccn4)cc3)no2)c2ccccc21 581274718 MFSJRKSVBCAQHL-UHFFFAOYSA-N 449.514 5.560 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cncc(Cl)c3Br)cc2)cc1 589015920 IQNUNPKOJDHNKS-UHFFFAOYSA-N 442.700 5.608 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3cc4ccccc4n3CC(F)(F)F)cc2)ccn1 589541596 CWIPKUWRIUWKMC-UHFFFAOYSA-N 436.393 5.515 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 589622779 MQOYGGYXJIPZSH-LLVKDONJSA-N 425.535 5.212 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c12 592974384 RNVRPKZIUPGRDO-INIZCTEOSA-N 449.555 5.857 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c1 592974727 YDZAJWHXTSFRLJ-FQEVSTJZSA-N 427.460 5.376 30 20 IKED C=CCN(C(=O)c1cc2c(s1)CCCC2)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603459325 ODAXWEUPVMIERI-UHFFFAOYSA-N 425.535 5.491 30 20 IKED CC(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 603730432 ITVXHMLPSJDTDV-MRXNPFEDSA-N 444.622 5.205 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N(Cc2ccccn2)c2ccc(Cl)cc2)o1 603998481 SPLVLQMXQDSTMR-UHFFFAOYSA-N 443.890 5.626 30 20 IKED CC(C)(CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1Cl 609090117 QFILQUYCAWGRLB-UHFFFAOYSA-N 447.922 5.036 30 20 IKED COc1ccc(-c2nsc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)n2)cc1 609127526 AAQYCUCLBHVEOQ-UHFFFAOYSA-N 428.473 5.130 30 20 IKED CC(C)(c1ccccc1)c1nnc(NC(=O)c2ccc(COc3ccccc3C#N)o2)s1 609304929 SJLXQNJTNLRVRE-UHFFFAOYSA-N 444.516 5.160 30 20 IKED N#CCCSc1ccccc1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 609378722 GWKNPRLWCHXCNT-UHFFFAOYSA-N 443.981 5.562 30 20 IKED CC(C)Oc1ccc(CC[C@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 609435011 KPKMVPLIXDCKHH-RBUKOAKNSA-N 425.598 6.011 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)Nc1ccccc1S[C@H](C)CC#N 609439063 VWFWERXBNITMAS-WBVHZDCISA-N 436.606 6.396 30 20 IKED Cc1cccc(NC2CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)CC2)c1 610159364 XNSKVPYFQOKQLZ-UHFFFAOYSA-N 425.532 5.570 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(OC4CCOCC4)cc3)c2)cc1 610224334 BWVRTZJSPSZKOR-UHFFFAOYSA-N 442.515 5.142 30 20 IKED C[C@@H](NC(=O)Nc1ncc(Cc2cccc(Br)c2)s1)c1cccc(C#N)c1 610331757 AEBOCFTVFHWUAP-CYBMUJFWSA-N 441.354 5.251 30 20 IKED C[C@@H](NC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1cccc(C#N)c1 610350263 MVLMGDIVGROERP-HXUWFJFHSA-N 435.531 5.030 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC2(CC1)OCc1ccccc12 610743103 OMGRWRZZCNTASG-UHFFFAOYSA-N 439.515 5.712 30 20 IKED COc1cccc(COc2cccc(NC(=O)c3cc4ccccc4n3CC#N)c2C)c1 611124231 KUOISMSEHKJCEV-UHFFFAOYSA-N 425.488 5.313 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3CCc4c(Cl)cccc43)s2)cc1 611411817 SDSMALFLBQMKMO-INIZCTEOSA-N 426.954 5.024 30 20 IKED Cc1cccc(-n2nnc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2C)c1 614387838 PBFSBVMQRWFREX-OAHLLOKOSA-N 441.438 5.003 30 20 IKED COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 642281559 JOHDTNTUCYNNFF-AWEZNQCLSA-N 433.316 5.624 30 20 IKED N#C[C@H](C(=O)c1ccc(NC(=O)C2CC2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 642282124 MZEOGWNDORJFOT-OAHLLOKOSA-N 429.423 5.154 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 670227841 BLBLTEXSKFVZHX-RSXGOPAZSA-N 446.595 5.175 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1nc(-c2cccs2)oc1C 727996728 LJUINGSSOVSLFY-UHFFFAOYSA-N 429.501 5.723 30 20 IKED Cc1ccc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)c(OC[C@H]2CCCO2)c1 728269134 ANEDKKRBBGYGIZ-JOCHJYFZSA-N 429.520 5.084 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)cc1 730396078 LWTUFSQOCDVKRS-GOSISDBHSA-N 440.471 5.540 30 20 IKED N#C[C@@H](C(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1nc2cc(F)ccc2s1 730416503 DSKDZRNOOPCNCK-AWEZNQCLSA-N 432.436 5.041 30 20 IKED O=C1/C(=C\c2ccc(OCc3occc3C(=O)O)cc2)CC/C1=C\c1cccc([N+](=O)[O-])c1 730949689 ZOYBTPPCTMSUJM-MGYAYREDSA-N 445.427 5.295 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(-c2ccoc2)n1 731135745 IHNPLNBAUXPEHW-KRWDZBQOSA-N 429.457 5.157 30 20 IKED COc1cc(C(=O)/C=C/c2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1OC(F)F 733083651 OEYBGTNMSXPPKO-VOTSOKGWSA-N 432.404 5.224 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@H]2c2ccccc2Cl)ccc1OC 733656673 OIVKGQSJNIGSLR-FXAWDEMLSA-N 427.932 5.076 30 20 IKED N#CCOc1ccc(CC(=O)Nc2nc(-c3cccc(Oc4ccccc4)c3)ns2)cc1 733766483 MNFNCHYVDQMVTM-UHFFFAOYSA-N 442.500 5.081 30 20 IKED COc1ccc(-c2nnc(SCc3cc(Cl)ccc3OCC#N)n2CC(C)C)cc1 735231315 RKCUVSDRBSRDNE-UHFFFAOYSA-N 442.972 5.458 30 20 IKED O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccc(S(=O)(=O)C(F)F)cc1 735231893 CUMFUEIWUHWQBA-YRNVUSSQSA-N 449.456 5.216 30 20 IKED C[C@@](O)(CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccsc1 741061999 FRKPCCUKMGGSET-OAQYLSRUSA-N 427.913 5.095 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C[C@H](c2ccccc2)N2CCOC2=O)cc1F 742960398 GFCLLGGSBUFONK-OAQYLSRUSA-N 445.450 5.012 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1nc(Cc2ccccc2)no1 743475579 VUNLUGXQOOYJTK-QGZVFWFLSA-N 428.467 5.423 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2cnc(-c3ccc(C)cc3C)s2)cc1 747262708 GVAFFIYVAIAQRD-IBGZPJMESA-N 447.560 5.228 30 20 IKED C=CC[C@@H](NC(=O)C(=O)Nc1cccc(Sc2ccc(Cl)cc2)c1)c1ccncc1 749725911 OAAOXMIXTNJLFJ-OAQYLSRUSA-N 437.952 5.258 30 20 IKED Cc1ccnc2[nH]c([C@H](C#N)C(=O)CCc3c(-c4ccc(F)cc4)[nH]c4ccccc34)nc12 750724695 SXFFGGMPMFETBC-HXUWFJFHSA-N 437.478 5.363 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C\c2ccc3c(c2)nnn3C)C(=O)c2ccccc2)c(Cl)c1 751032203 FOURZGDQHBYYKZ-UYRXBGFRSA-N 444.922 5.144 30 20 IKED CC[C@@H](C#N)Oc1cc(CNc2cncc(OCc3cccc(Cl)c3)n2)ccc1OC 754835718 KQDCPBKEYVJTTC-IBGZPJMESA-N 438.915 5.011 30 20 IKED N#Cc1ccccc1/C=C1\CC2(C/C(=C\c3ccccc3C#N)C1=O)C(=O)Nc1ccccc12 755588337 PUDZIMRVRNSLFJ-RNIAWFEPSA-N 441.490 5.150 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 756548394 QAKOKQHHSQIPCU-HNNXBMFYSA-N 425.485 5.201 30 20 IKED CCc1ccc(Cl)c(CC)c1NC(=O)CCCOC(=O)c1c(F)cc(C#N)cc1F 756591727 JPUCWRLDRLACHI-UHFFFAOYSA-N 434.870 5.190 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C=C/c1ccc2ccc(Cl)cc2n1 759204928 GZOIFQSWAZYWMI-IWGBCORSSA-N 431.923 5.374 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc2ccccc2nc1Br 760185236 ALFGVJDPXZXIAN-FXAWDEMLSA-N 435.325 5.301 30 20 IKED COc1ccc(C(=O)CCCCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 760202777 TZWKVBOWDFTBDY-NRFANRHFSA-N 443.528 5.310 30 20 IKED C[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nc(-c2ccccc2)no1 760738737 ZQUZAKCEZOEJRO-WZONZLPQSA-N 437.503 5.317 30 20 IKED Cc1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1N1CCOC1=O 761476273 PGZUCJLDCDMVMQ-UHFFFAOYSA-N 447.878 5.521 30 20 IKED COc1ccc(-c2nnc(SC[C@@H](O)c3ccc(C#N)cc3)n2C2CCCCC2)cc1 763230803 BZLZSWZEJOZUNA-JOCHJYFZSA-N 434.565 5.156 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SC[C@@H](O)c1ccccc1C(F)(F)F 764683341 SXYVHLGCOWXYJT-LJQANCHMSA-N 449.498 5.196 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(Sc2ccccc2Cl)nn1 768757415 VTUQGKFEOSHXIA-OAHLLOKOSA-N 446.919 5.276 30 20 IKED C[C@@H](N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1ccc(OCC#N)cc1 776162379 GKYHDDFGTXPJRT-CRICUBBOSA-N 434.923 5.454 30 20 IKED C=CCNC(=S)/C(=C(/O)c1ccc2c(c1)Cc1ccccc1-2)[n+]1c(C)ccc(O)c1Cl 777508850 CNVDRYFQNPIJJL-UHFFFAOYSA-O 449.983 5.200 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1 779197424 UALJKDUFAWXMGG-DEOSSOPVSA-N 449.466 5.627 30 20 IKED Cc1cc(SC2CCCCC2)ccc1NC(=O)C(=O)Nc1ccc(F)cc1OCC#N 783964035 LPTOWRDTEGJPJZ-UHFFFAOYSA-N 441.528 5.039 30 20 IKED COCCN(C)c1ccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)cn1 790209721 UEJZJAYUWIZCAN-CAPFRKAQSA-N 429.545 5.197 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 796661273 IZQBWFLDZAGFQI-GOSISDBHSA-N 434.521 5.351 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1 797624940 HGXWQXHIPCBFCM-KRWDZBQOSA-N 444.601 5.160 30 20 IKED Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 806250389 RYCXGGHGNGDJQC-UHFFFAOYSA-N 441.572 5.972 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCN(c4ccccc4Cl)C3)n2)cc1 810549757 OXXBHJREPHLEBF-MSOLQXFVSA-N 432.936 5.038 30 20 IKED C=C(C)[C@H](CC(=O)N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21)OCC 811953332 NFKYHMQZFWSXIJ-QUCCMNQESA-N 432.561 5.123 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 813216090 NFQYFACDKZPCQU-POZUXBRTSA-N 447.457 5.179 30 20 IKED N#C[C@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1cc(C(F)(F)F)ccn1 813219257 YURKYDINCHWGCY-LBPRGKRZSA-N 443.372 5.538 30 20 IKED N#C[C@H](C(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1nc2cc(C(F)(F)F)ccc2s1 915104295 OOQOOJPHVQHUES-UKRRQHHQSA-N 443.450 5.083 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cccc(OCc2cccc(C)c2)c1 916902123 CHQHBAKNGOADLV-VWLOTQADSA-N 440.543 5.660 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)cs1 917560822 ZAYPHUDTFCMKEO-FMIVXFBMSA-N 430.451 6.051 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccsc2)C1=O)Nc1ccccc1F 917674372 NVMNNDYUDNXNJE-IBGZPJMESA-N 439.537 5.048 30 20 IKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CC2)c1 917711967 AJMOBZXIBFHAFW-FQEVSTJZSA-N 443.519 5.211 30 20 IKED N#C[C@H](C(=O)CCSc1ccc(Cl)cc1)c1nc(-c2c(F)cccc2F)cs1 920803902 GKKGNSGYISZUFE-CQSZACIVSA-N 434.920 6.100 30 20 IKED C[C@H](NC(=O)c1cc2c(nc1O)CCC(C)(C)C2)c1ccc(-c2cccc(C#N)c2)cc1 1611456650 MKDKSMCQAZYUKV-KRWDZBQOSA-N 425.532 5.332 30 20 IKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)CCC4CCC4)CCC3)cc2)c1 1786036282 ZTEGAJUVJKFNSF-UHFFFAOYSA-N 429.564 5.205 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCCC3(F)F)cc2)CCC1 1786464512 CHWMPUOEKXXMMD-KRWDZBQOSA-N 426.454 5.157 30 20 IKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cccnc3)cc2)CCC1)c1ccccc1 1787304284 SHDSHKLNRMIFFI-RUZDIDTESA-N 437.543 5.027 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc4nccnc4c3)cc2)CCC1 1789062233 CBZIZECGQAJOTH-UHFFFAOYSA-N 442.563 5.370 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3)CCC2)C1 1790311308 VEUKGIIIQGEPNB-UHFFFAOYSA-N 428.454 5.419 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc4nc(C)sc34)CCC2)cc1 1791727545 WXAHHNLPFOBWLJ-UHFFFAOYSA-N 445.588 5.546 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)c(F)c3)CCC2)cc1 1792268281 HEXQEKFLYJLNKO-UHFFFAOYSA-N 432.417 5.006 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1ccc(C)cc1 1796468754 WBKWXKZTWNMHFL-KIHHCIJBSA-N 443.591 5.077 30 20 IKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](c3ccccc3)[C@@H](C)CC)[nH]n2)C1 1814393924 QIKOUTGZODFPQC-OEOAZWSVSA-N 434.584 5.198 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(F)c2)[nH]n1 1814828359 ILEZSTHDKYWHQP-FQEVSTJZSA-N 444.938 5.277 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cccnc3s2)n[nH]1 1818571045 CLJPQWMTTJGLIX-IBGZPJMESA-N 449.580 5.094 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3sccc3[nH]2)n[nH]1 1819190498 QEMHGTCXWQDVFH-BEFAXECRSA-N 437.569 5.027 30 20 IKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)[nH]n1 1822400411 KUYHHIIHMYKMFH-QFIPXVFZSA-N 432.499 5.098 30 20 IKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ccccc23)[nH]n1 1822580067 RLWPSVITPOIZGM-HSZRJFAPSA-N 428.536 5.062 30 20 IKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ccccc23)CC1 1824500094 SRIKIQSKPJVMDD-SANMLTNESA-N 448.607 5.056 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](F)c2ccccc2)CC1 1824858515 RNBSLVDLWAJHDS-GOTSBHOMSA-N 428.592 5.309 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCCC2(F)F)CC1 1829068312 PLOVFZZETNWGOG-LEWJYISDSA-N 438.603 5.424 30 20 IKED C[C@H](Sc1ccc2c(c1)OCCCO2)C(=O)Nc1sc2c(c1C#N)CCCCC2 9583849 BNOJJRVSBBMYQX-AWEZNQCLSA-N 428.579 5.169 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccccc2CC)c1 10174466 YXHPQJOGLDDRLM-UHFFFAOYSA-O 434.541 5.058 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)c(F)c1)=C(/S)Nc1cccc(Cl)c1C 11257805 JKAFLIVEXADRAF-UHFFFAOYSA-O 445.942 5.827 30 20 IKED C=CCn1c(SCc2cc(=O)oc3cc(C)c(C)cc23)nnc1-c1ccccc1OC 21123212 QTUNMFOAPAGSCM-UHFFFAOYSA-N 433.533 5.155 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(F)ccc1F)=C(/S)Nc1cc(C)ccc1C 22729697 BZUOTGKFRKQPNC-UHFFFAOYSA-O 425.524 5.482 30 20 IKED Cc1ccc(C(=O)/C(=C(\S)Nc2ccc(F)c(Cl)c2)[n+]2ccc(N(C)C)cc2)s1 22800309 GJKQZCRKQOAHCH-UHFFFAOYSA-O 448.996 5.253 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nn(-c3ccccc3)c(=S)s2)cc1 23499876 OTELXIULVHXPLS-INIZCTEOSA-N 440.619 5.399 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C(=O)c1ccccc1)c1ccccc1 32789398 GITKUVNEKOXCRY-RUZDIDTESA-N 425.557 5.771 30 20 IKED CC(C)c1cccc(C(C)C)c1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 36748058 HINBIESGEAJKOD-UHFFFAOYSA-N 446.551 5.908 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Sc2ccccc2)cc1C 58433132 BVOMVGXUELHCAC-UHFFFAOYSA-N 431.561 5.698 30 20 IKED CSc1nc(C2CC2)cc(C(=O)NCc2ccc(COCc3ccccc3)cc2)c1C#N 60413411 XUWGKKHMJWKOHH-UHFFFAOYSA-N 443.572 5.199 30 20 IKED CCOc1ccc([C@H](CNC(=O)c2cccc(C#N)c2)c2c[nH]c3ccccc23)cc1OC 71802730 NLSLKZANQBBIEU-QFIPXVFZSA-N 439.515 5.009 30 20 IKED C=CCN(Cc1cccs1)C(=O)CCc1ncc(-c2ccccc2Br)o1 195603534 CCHDNKXBEJOXGI-UHFFFAOYSA-N 431.355 5.313 30 20 IKED CCOc1ccccc1-c1nnc(S[C@@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)o1 209603459 GTDCAOLRBHHHEI-AABCQZNVSA-N 449.576 5.497 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CCSc2ccccc21 303162929 HYWJAACVEUSDPF-QHCPKHFHSA-N 429.545 5.804 30 20 IKED Cc1ccc(-c2nc(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)cs2)cc1 303216900 SZLLDYPUVJNQAN-UHFFFAOYSA-N 439.540 5.750 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2csc(CCc3ccccc3)n2)cc1 409823675 SGWDREQWZQDBJE-UHFFFAOYSA-N 429.467 5.005 30 20 IKED C=CCCc1ccccc1NC(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C 410374149 MKLCMEOAQWSAQU-UHFFFAOYSA-N 428.458 5.203 30 20 IKED COc1cc(Oc2ccccc2)ccc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 428500206 QDYVJDLEKVGXNT-UHFFFAOYSA-N 438.487 5.517 30 20 IKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)c12 430595821 IJFPIGFBWDREMG-AWEZNQCLSA-N 435.578 5.249 30 20 IKED N#Cc1ccccc1CSCCNC(=O)c1cc(C(F)(F)F)ccc1Br 431768130 JHVLNHMAJOCMTR-UHFFFAOYSA-N 443.288 5.003 30 20 IKED Cc1cc(C)cc(CN(C)C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 434615459 DOEORMOIGYWAGT-HSZRJFAPSA-N 445.950 5.209 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc(OC(C)C)c(C#N)c1 435393881 LRDKZUTZPFCHIO-UHFFFAOYSA-N 425.485 5.081 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 442684572 XPFPUOSTDVRSKF-HNNXBMFYSA-N 425.826 5.069 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)c2ccccc21 444151105 YHLJXVLOYWQQPF-UHFFFAOYSA-N 433.515 5.595 30 20 IKED CC(=O)Nc1ccc(F)c(C(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1 444430924 KKGBAGUBXRIDQK-INIZCTEOSA-N 436.327 5.226 30 20 IKED C=CCOc1cccc(NC(=O)N2CCC[C@H](c3nc(-c4ccccc4OC)cs3)C2)c1 446123064 UHNCKJHIDHOFCP-SFHVURJKSA-N 449.576 5.795 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl 461084010 GXGMZRAXBYZBGW-GFCCVEGCSA-N 442.894 5.589 30 20 IKED CC(C)(C)c1nnc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1 467915297 CTWJAYLMFOSXEE-KRWDZBQOSA-N 439.972 5.466 30 20 IKED CC(C)n1cc(C#N)c(NC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)n1 468858991 GCTXBIIYAJTEBF-UHFFFAOYSA-N 434.496 5.766 30 20 IKED C=CCC[C@@H](NC(=O)c1ccnc(O)c1Br)c1ccc(C(F)(F)F)cc1 469691686 RZMAHBAIRTXDKT-CQSZACIVSA-N 429.236 5.006 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(C(=O)CSc3ccc(C#N)cc3)C2)n1 470409140 UMHHMCLYDUDOKZ-SFHVURJKSA-N 449.601 5.189 30 20 IKED C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)[C@@H]1c1cccc(F)c1 470534062 XTCUHHZCJZZXDS-OSPHWJPCSA-N 434.515 5.024 30 20 IKED CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 470660161 QXYJSRRHYJSKPF-UHFFFAOYSA-N 447.507 5.598 30 20 IKED CN(C(=O)C[C@H](CC#N)c1ccccc1)[C@H]1CCSc2ccc(Br)cc21 475661704 MZNFDWBRXUTGLX-LPHOPBHVSA-N 429.383 5.532 30 20 IKED C[C@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccc(-c2cccnc2)cc1 475942797 ULMZYUFIWDGQCO-CCYWVKEMSA-N 440.547 5.371 30 20 IKED N#CCCn1cc(CN[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c(-c2ccccc2)n1 478210242 RKSHVGGVRUQNNT-IBGZPJMESA-N 440.378 5.139 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H]3Cc3cccc(F)c3)cc2F)c1 481633116 XORCUUKWVALPNY-QHCPKHFHSA-N 447.485 5.654 30 20 IKED CCC(CC)[C@@H]1C[C@@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCO1 481653214 FOULSIMYLYPLJT-ZCYQVOJMSA-N 435.568 5.437 30 20 IKED C[C@H](NC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1nc2ccccc2n1C(F)F 482396675 BMRBCDRADRZGEZ-VFZGTOFNSA-N 448.342 5.373 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1nc(-c2cc3ccccc3o2)cs1 483377858 YGGNJULEMIIJMU-UHFFFAOYSA-N 430.533 5.550 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)cc1C 485040728 CBIBECKFZBEUHM-UHFFFAOYSA-N 438.535 5.135 30 20 IKED COc1cc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(C)cc1C 485106358 ODVVSNLRZMDOBC-UHFFFAOYSA-N 449.894 5.207 30 20 IKED C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@@H](CCCC#N)c1ccccc1 487456658 VSDFECHWDBKZSA-UZLBHIALSA-N 427.342 5.209 30 20 IKED C=CCn1c(SCc2ccc(OCc3nccn3C)cc2)nnc1-c1ccc(C)cc1 489631015 RRZGSXSDZFTUAE-UHFFFAOYSA-N 431.565 5.044 30 20 IKED COc1ccc(CN[C@H]2c3cccc(Br)c3CC2(C)C)cc1OCCCC#N 492211439 SRDNBZYIEQTXMC-QFIPXVFZSA-N 443.385 5.553 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)cc1 493984170 QMOWPJUQABOQTG-NHCUHLMSSA-N 439.353 5.006 30 20 IKED C=CCN(C(=O)c1ccc(Br)cc1OC)c1nc(-c2ccccc2)cs1 499304809 CWJOBBLLJBZANU-UHFFFAOYSA-N 429.339 5.414 30 20 IKED C[C@@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(OCC(F)(F)F)cc1 502325468 ILDUHSJLQIODTB-MRXNPFEDSA-N 429.442 5.059 30 20 IKED N#Cc1ccccc1N1CCCN(C(=O)Nc2ccccc2COCc2ccccc2)CC1 503242504 FFGCYIMOOVDBMO-UHFFFAOYSA-N 440.547 5.019 30 20 IKED O=C(Cc1coc(-c2ccc(F)cc2)n1)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 505395645 LARJZTVDRXEWBK-QGZVFWFLSA-N 446.322 5.462 30 20 IKED N#C[C@H](NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1ccccc1Cl 505661693 NUMYEVANEWXQJQ-NRFANRHFSA-N 432.936 5.275 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)c3ccc(Br)cc3Br)CC2)cc1 507810562 XUXSDBWWZUAUNJ-UHFFFAOYSA-N 446.142 5.013 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)cc1 508129803 CPBPVSLRMTVFOF-SFTDATJTSA-N 428.454 5.262 30 20 IKED C=CCn1c(-c2cccc(OC)c2OC)nnc1N1CCC(c2c[nH]c3ccccc23)CC1 508897835 ZDJXYSNWASEPER-UHFFFAOYSA-N 443.551 5.014 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 511377008 JJAPGGAUDQMCKX-CQSZACIVSA-N 425.504 5.423 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)c1 512371301 GJPVPJWBOGKNCP-QFIPXVFZSA-N 434.433 5.223 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2nc3ccccc3s2)s1)c1ccc(C(F)(F)F)cn1 513144087 RJGBPDGEKIAGNC-GFCCVEGCSA-N 429.448 5.929 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OCc4cscn4)c3)n2)cc1 516713744 IQONHYVDVARFGX-HXUWFJFHSA-N 447.541 5.344 30 20 IKED COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 517060038 CLDRTDOUDRJZIF-JOCHJYFZSA-N 436.899 5.250 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(CCc1ccccc1)Cc1cccnc1 517473107 JKXZAERQUWBGKS-FQEVSTJZSA-N 430.577 5.610 30 20 IKED C[C@H]1CCCN(Cc2csc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)n2)C1 517704632 DKTNMIPSGNZZIV-SFHVURJKSA-N 446.576 5.486 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C1CC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 517733761 UQFFSBWEIXEJFA-LBPRGKRZSA-N 428.863 5.145 30 20 IKED Cc1cccc(O[C@H](C)c2nnc(N3CCC(C)(C#N)CC3)n2Cc2ccccc2)c1C 519642071 AZTGWUBCDKZKAZ-OAQYLSRUSA-N 429.568 5.213 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 520196983 MMHFLINTMUVLQE-QGZVFWFLSA-N 446.580 5.277 30 20 IKED C=CCN(CCc1ccccc1)C(=O)NCc1cccc(NC(=O)c2ccc(C)cc2)c1 521638808 CIOFAPSUDRCFSI-UHFFFAOYSA-N 427.548 5.188 30 20 IKED Cc1ccc2nc([C@H]3CCCN3C(=O)c3cccc(COc4cccc(C#N)c4)c3)[nH]c2c1 522312702 NXYCXFDYKCEARQ-RUZDIDTESA-N 436.515 5.299 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3sccc3Br)cc2F)c1 524457502 LCHDOZKRWBSCHZ-UHFFFAOYSA-N 431.286 5.353 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)cc1Cl 534871459 XONOHTCDHXNXQS-UHFFFAOYSA-N 431.879 5.531 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@H](C)c1ccc(-c2csc(C)n2)cc1 537050296 HVXBAOLDBOXPKN-QZTJIDSGSA-N 448.592 5.113 30 20 IKED O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1cc(OC(F)F)cc(OC(F)F)c1 539501495 NNXCMVVOPAMPNP-UHFFFAOYSA-N 445.262 5.222 30 20 IKED CC(C)C(=O)N(C)Cc1ccc(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 541069868 SJSPXNMEAHVVLH-FQEVSTJZSA-N 439.559 5.331 30 20 IKED CC1CCN(c2ccc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cn2)CC1 544815537 KBGGQPOTIRRFOV-MRXNPFEDSA-N 438.503 5.210 30 20 IKED C=CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1 554931104 XNZBHJDPRXRXHL-OXQOHEQNSA-N 427.474 5.056 30 20 IKED Cc1cnc(-c2cccc(NC(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)c2)o1 557500766 CCBPIJAOVLGPJZ-UHFFFAOYSA-N 434.927 5.420 30 20 IKED CCN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)C(c1ccccc1)c1ccccc1 557553176 BEVYJEIESUNINC-OAQYLSRUSA-N 443.616 6.131 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 558331993 KXJSHWDEFQUXAS-UHFFFAOYSA-N 432.386 5.590 30 20 IKED COc1cc([C@H](C#N)NC(=O)c2csc(-c3ccc(Cl)cc3)c2)cc(OC)c1OC 559378198 MMGFILRZWXICBD-KRWDZBQOSA-N 442.924 5.089 30 20 IKED N#CC1(C(=O)NC[C@@H](c2ccc(Cl)cc2Cl)c2c[nH]c3ccccc23)CCOCC1 560240841 JFCFERXDUOGHRX-SFHVURJKSA-N 442.346 5.043 30 20 IKED CCNc1ccc(C#N)cc1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 560588923 SECDYYXVEOJEND-UHFFFAOYSA-N 441.354 5.057 30 20 IKED C[C@@]1(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)OCCc2sccc21 564412584 HIFQMFFFQOGKSH-VWLOTQADSA-N 447.560 5.003 30 20 IKED Cc1ccc(-c2nc(CNC(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)co2)cc1 571129522 TUXOKDMCBBQYPQ-UHFFFAOYSA-N 425.448 5.031 30 20 IKED Cc1cccc([C@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c2ccccn2)c1 571212439 LXQLUAHDGDLHIH-VWLOTQADSA-N 435.487 5.360 30 20 IKED N#Cc1cc(NC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)nc2ccccc12 576692191 ZAAPGAVCVGYHJP-UHFFFAOYSA-N 439.258 5.233 30 20 IKED C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 582982993 SMYWKCSLSSVULE-KRWDZBQOSA-N 442.523 5.208 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccn(-c3ccccc3F)n2)cc1Cl 603765875 AUJKHMIJTKCWED-IBGZPJMESA-N 430.870 5.573 30 20 IKED N#Cc1cccc(CS(=O)(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 604040439 MCTNBYVDJSYDKM-UHFFFAOYSA-N 431.344 5.074 30 20 IKED C[C@H](C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccccc1C(F)(F)F 607798935 COTJSHLDUCXGEP-LBPRGKRZSA-N 437.355 5.865 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(C2CC2)nc2ccc(F)cc12 608110295 LFEFUBLYPIVOHI-RYUDHWBXSA-N 448.382 5.891 30 20 IKED Cc1nc(-c2ccccc2)sc1CNC(=O)c1ccc(COc2ccccc2C#N)o1 608954143 FXTRELATZVRNMH-UHFFFAOYSA-N 429.501 5.092 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 609435330 HFJRXDOQZPXMBJ-UZLBHIALSA-N 447.526 6.859 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2OCCc3ccccc32)cc1Cl 609601361 KGNULSAUTJOKKX-UPVQGACJSA-N 431.923 5.431 30 20 IKED Cc1cc(C)c(NC(=O)CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c(C)c1 609723463 WLWHZTZJJYWVDE-UHFFFAOYSA-N 447.922 5.298 30 20 IKED COc1cc(CSCc2cccc(NC(C)=O)c2)ccc1OCc1cccc(C#N)c1 609741106 FWHKLPVRGRQDEY-UHFFFAOYSA-N 432.545 5.538 30 20 IKED CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 609826637 NEAIOLGMUYSTKM-QPPBQGQZSA-N 435.568 5.294 30 20 IKED N#Cc1c(NC(=O)c2cccc(Oc3nccs3)c2)sc2c1-c1ccccc1CC2 609906907 YJUMMZKSWQEGEK-UHFFFAOYSA-N 429.526 5.886 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC(c3cccs3)c3cccs3)cc2)cc1 609978577 QLFRSBHGIRIBPD-UHFFFAOYSA-N 430.554 6.187 30 20 IKED CC(C)c1nccn1Cc1cccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1 609991147 FNWJOIRAWAVVBD-UHFFFAOYSA-N 435.531 5.922 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCCO[C@H](c3ccccc3)C2)cc1F 610334847 UXAZJEKZRHERNO-DEOSSOPVSA-N 431.467 5.485 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc(Cl)c1OCC(C)C 613392106 GOXWWHQHWMSXPU-QGZVFWFLSA-N 440.952 5.997 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ccccc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 613404430 MVUFGHFGDLJESS-ZDUSSCGKSA-N 429.448 5.929 30 20 IKED N#C[C@H](C(=O)c1ccc(OC(F)(F)F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 613404908 WKCOGXOGSLLSEK-GFCCVEGCSA-N 430.329 5.704 30 20 IKED COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2nc3ccccc3o2)c1 614439929 ZRAVEAXRVGFGFA-FQEVSTJZSA-N 434.455 5.179 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1[nH]c2ccc(F)cc2c1Cl 615706649 HJRXUORVUKTJHU-HTQZYQBOSA-N 430.751 5.600 30 20 IKED C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 642281283 WEBXUEGLOLKAKE-VMDGZTHMSA-N 435.936 5.548 30 20 IKED C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 642282279 ZFLQNTWWMLEUFG-XFBWCDHKSA-N 443.450 5.400 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 642282500 XXXVQRRNTDFTAK-AWEZNQCLSA-N 442.878 6.007 30 20 IKED C[C@H](NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1c(F)cccc1Cl 674437250 GKLJNVWRKMVQCP-GUBZILKMSA-N 434.783 5.749 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)c1C(F)F 676160438 RKBSGLSAFATJLG-UHFFFAOYSA-N 429.311 5.150 30 20 IKED Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 678208332 ORHXZTNVMXBLEQ-STQMWFEESA-N 441.366 5.330 30 20 IKED N#C[C@H](C(=O)c1cnn(CC(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 682497871 LQTMASUKXTWKPG-GFCCVEGCSA-N 445.253 5.366 30 20 IKED CC(C)(C(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(OC(F)(F)F)cc1 682797370 GRTBQLZVTXIDIV-TXEJJXNPSA-N 437.302 5.062 30 20 IKED CC(=NNc1nc2ccccc2c(=O)n1CCCOC(C)C)c1cc(Cl)ccc1Cl 725842881 LZPCJLJBPWIAIX-UHFFFAOYSA-N 447.366 5.355 30 20 IKED CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N\[C@@H](C)c1cccs1 726419298 HSWXFLABCZEYGZ-VCIZKGPESA-N 436.002 5.120 30 20 IKED N#Cc1ccc(NC(=S)Nc2cccc(COc3ccc4c(c3)OCO4)c2)cc1Cl 726468590 VDKVMJBHNNWQOT-UHFFFAOYSA-N 437.908 5.328 30 20 IKED Cc1csc([C@@H](C#N)C(=O)CCCCCc2ccc(I)cc2)n1 726858844 RGFOKVYJILHVAR-INIZCTEOSA-N 438.334 5.036 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)cc1 726940566 XSISXDGEYWTDOK-QGZVFWFLSA-N 439.968 5.872 30 20 IKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CCC2)cc1 730461598 QIKBOGPATJSGRM-HXUWFJFHSA-N 443.519 5.040 30 20 IKED C[C@@H](COc1cccc(C#N)c1)OC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 733860864 IDXINTCIQLZXHK-AWEZNQCLSA-N 445.302 5.463 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(CCc2ccc(F)cc2)C2CC2)c1=S 735073398 LAFFBEVUADZDTL-UHFFFAOYSA-N 438.572 5.079 30 20 IKED N#Cc1cc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])ccc1Oc1ccc(C(F)(F)F)cc1 742783292 FTTDBTVEJXDGBR-UHFFFAOYSA-N 445.328 5.669 30 20 IKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC(OCC3CC3)CC2)c1=S 743407395 QQVIAWBOIRNCDT-UHFFFAOYSA-N 440.657 5.413 30 20 IKED C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 743683947 NIUCQKMGMJAEKY-UHFFFAOYSA-N 425.463 5.127 30 20 IKED N#Cc1ccc([C@H]2NC(=O)N(CC3CC3)C(c3cccs3)=C2c2nc3ccccc3[nH]2)o1 743741503 JFNSPSPURKIGDM-OAQYLSRUSA-N 441.516 5.134 30 20 IKED C/C(=C\C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1C(F)(F)F 744031485 YKWNNBPVODQTRF-BMGYJQCNSA-N 441.236 5.763 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(-c3noc(C4CC4)n3)c2)cc1 744032035 AZBUGHAMQVJVRU-QVKFZJNVSA-N 428.492 5.089 30 20 IKED N#Cc1ccc(/C=C2/CN(Cc3ccccc3)C/C(=C\c3ccc(C#N)s3)C2=O)s1 748995276 YWIZDTRTDVGKHM-OMYAATJGSA-N 427.554 5.105 30 20 IKED N#Cc1ccc(/C=C2/CC(C#N)(c3ccccc3)C/C(=C/c3ccc(C#N)s3)C2=O)s1 748997811 HOGYEGXNAVZPBY-IWSCKCOWSA-N 437.549 5.844 30 20 IKED C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cnc(-c4ccccn4)s3)c12 753141951 MJJTTWIORUALLK-VAWYXSNFSA-N 425.517 5.198 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc(-c3ccccn3)ccc2Cl)ccc1OC 754845875 ASZSOZBEHNYCTA-SFHVURJKSA-N 435.911 5.022 30 20 IKED COC(=O)C1C/C(=C\c2cnc(Cl)c(C)c2)C(=O)/C(=C/c2cnc(Cl)c(C)c2)C1 761485131 DICBVINWOAFFKX-KGMKFKQSSA-N 431.319 5.019 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)N[C@@H](c3ccc(F)cc3)c3ccccc3Cl)CCO2)c1 761668731 GZELDQVASGKVSE-ZEQRLZLVSA-N 449.913 5.223 30 20 IKED C[C@H](Sc1nc2ccccc2s1)C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 762898871 ICONMJWXSRGBQU-HNNXBMFYSA-N 449.557 5.071 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc2c(ccn2Cc2ccccc2)c1 763930055 LATLXMVXXDCZTF-QFIPXVFZSA-N 437.499 5.049 30 20 IKED CN(C)c1ccc(N(Cc2ccc3ccccc3n2)C(=O)CCc2ccc(C#N)cc2)cc1 766590598 FTTONOWMJNIEDS-UHFFFAOYSA-N 434.543 5.338 30 20 IKED C[C@H](C#N)CSc1ccccc1NCc1nnc(-c2ccc(Br)s2)o1 768499116 ONAJMBLCQGJBKM-LLVKDONJSA-N 435.372 5.424 30 20 IKED C[C@H](N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1ccc(OCC#N)cc1 776162382 GKYHDDFGTXPJRT-SSOJOUAXSA-N 434.923 5.454 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)c1ccccc1 777298511 YXWVYBFSJPKJQW-PMACEKPBSA-N 447.560 5.642 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)Nc2ccccc2O[C@H](C)C#N)nc1-c1ccccc1 780674869 RMPVTDYJMBKHKM-WIYYLYMNSA-N 444.535 6.125 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@H]3c3ccc(F)c(F)c3)n2)c(Cl)c1 782662244 GANASNUECSJVRS-SFHVURJKSA-N 427.842 5.045 30 20 IKED CCc1cnc(/C=C2/CC(C#N)(c3ccccc3)C/C(=C/c3ncc(CC)s3)C2=O)s1 783699291 BDYYUYZYONJESP-IWSCKCOWSA-N 445.613 6.016 30 20 IKED Oc1cc(OCc2ccccc2)ccc1C=Nn1c(S)nnc1SCc1ccccc1 783817353 SAYPDVQJPFUPTI-UHFFFAOYSA-N 448.573 5.026 30 20 IKED COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)NCc2ccc(OCC#N)cc2)c1 784267928 RAWILGHNRFFEMG-IZZNHLLZSA-N 441.531 5.038 30 20 IKED C#CCOc1ccccc1NC(=O)C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1 785222976 QWWRHQVIFXLRNM-SFHVURJKSA-N 430.529 5.129 30 20 IKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccsc2)N(C2CCC2)C1=O 790739411 YPOYUAPJCPOZBB-IBGZPJMESA-N 443.594 5.050 30 20 IKED N#C[C@@H](C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1nccc2ccccc12 792097386 VVSAJUGMPIHQFC-VWLOTQADSA-N 446.485 5.646 30 20 IKED COc1ccc(NN=Cc2csc(N(C(C)=O)c3ccccc3)n2)c(C(F)(F)F)c1 793099195 OMWWXQRRYBJDHY-UHFFFAOYSA-N 434.443 5.301 30 20 IKED COc1cc(/C=C2/CC/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OCC(F)F 809154803 FVCCZHFPECBXBS-JCDHFMOQSA-N 445.418 5.086 30 20 IKED N#Cc1ccc(Oc2ccccc2OS(=O)(=O)Cc2ccc(C(F)F)cc2)c(F)c1 815026942 LWNZOENQOAJULL-UHFFFAOYSA-N 433.407 5.336 30 20 IKED CCc1sc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1Br 815908486 CKMYDHIUPNZCSU-AWEZNQCLSA-N 427.323 5.187 30 20 IKED Clc1ccc(CSc2nncn2N=Cc2ccccc2OCc2ccccn2)cc1 819841422 WYFHGDBRQLXYKM-UHFFFAOYSA-N 435.940 5.080 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ccc(Br)cc2)cs1 912828187 YTKFXLOSNHNGKI-UHFFFAOYSA-N 449.761 5.690 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCC(=O)CCC(=O)c3cccs3)n2)cc1 915099956 IAHZAHKECBUZPH-SFHVURJKSA-N 436.558 5.369 30 20 IKED COc1ccc(CCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC 915103844 GNGVHQWCEFSGTG-AWEZNQCLSA-N 434.439 5.141 30 20 IKED CCN(CC)c1ccc2cc(C(=O)/C=C\c3csc(-c4ccccn4)n3)c(=O)oc2c1 915988300 UFRBFXWNFPURFI-LUAWRHEFSA-N 431.517 5.054 30 20 IKED CCOc1cc(/C=C(/C(=O)Nc2cccc(OC)c2)C(=O)c2ccccc2)ccc1OC 916156255 PNLFWJBRIIILCI-PXLXIMEGSA-N 431.488 5.008 30 20 IKED CC[C@H](C)c1ccc(N=C2NC(=O)[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)S2)cc1 916232728 PGKTVMJNXVOIJB-SCLBCKFNSA-N 449.498 5.467 30 20 IKED N#CCOc1cccc(NC(=O)c2cc(-c3nc4ccccc4s3)nc3ccccc23)c1 916409811 OXIXZJGYMJRGNY-UHFFFAOYSA-N 436.496 5.666 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C=C/c1cc(C)n(C2CCCCC2)c1C 916904141 XGQYQBKMWVNITG-DACFSCGWSA-N 445.607 6.096 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(-c2ccccc2F)o1 916904768 IPPKZGSBBQDXRF-LJQANCHMSA-N 440.430 5.839 30 20 IKED Cc1nc(COc2cccc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)c2)cs1 916916353 SDXZYOJWTGIVAJ-JOCHJYFZSA-N 441.512 5.145 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(C)s2)ccc1OCC(=O)Nc1ccccc1Cl 917044527 TTZPPXUNWKXKDX-NTMALXAHSA-N 441.936 5.632 30 20 IKED COC(=O)c1sc2ncc(C(=O)/C=C\c3cccc(OCC(F)(F)F)c3)cc2c1C 918156089 KWGRDVQYSGSLRD-SREVYHEPSA-N 435.423 5.229 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cccc(-n2nccc2-c2ccccc2)c1 920323875 HXMYRNCDZGXNDX-HSZRJFAPSA-N 444.494 5.534 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCc1cc(C#N)ccc1F 920671097 LHOFWMPAIGEQJM-ZDUSSCGKSA-N 430.888 5.371 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc4cnccc4[nH]3)cc2)CCC1 1789358109 PAAKUTXXLGCPNY-OAQYLSRUSA-N 428.536 5.079 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)cc(OC)c3)cc2)CCC1 1792150254 FECXZZKVNMSLQB-UHFFFAOYSA-N 438.955 5.290 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCCSC4)cc3)CCC2)c1 1792287254 OYXBQWCFSHGWOT-NQIIRXRSSA-N 447.604 5.205 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(F)ccc1C(F)(F)F)C2 1798593743 IASXONVBDDVOOY-BJWYYQGGSA-N 440.481 5.089 30 20 IKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2C2CC2)[C@H]1c1cccnc1 1803088384 AJZYGHRDJNNZQN-BVAGGSTKSA-N 443.591 5.047 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(Cl)c2)[C@@H]1c1cccnc1 1811815058 JITVPLBMOZCRJT-IRLDBZIGSA-N 439.987 5.047 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(Cl)s2)CC1 1825032396 RJDWQGAGVDXQBJ-OAQYLSRUSA-N 449.060 5.332 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3sccc3s2)CC1 1828553664 KEFTZULKXQQRPE-WMZOPIPTSA-N 430.639 5.408 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)c(OC)c2)CC1 1828827004 GQWPJAKCQJRTKP-BJKOFHAPSA-N 438.612 5.005 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(C)C)no2)CC1 1829795626 AUEMPXGWJRJPME-OAQYLSRUSA-N 429.605 5.024 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2cccc(C)c2)cc1 15248108 NQTWYSBNCREFKL-UHFFFAOYSA-O 444.407 6.203 30 20 IKED O/C(CN[C@@H](c1ccccc1)c1ccccn1)=N\c1nc(-c2ccc(F)c(F)c2)cs1 27539739 IQLOJXKFOIALKQ-QFIPXVFZSA-N 436.487 5.451 30 20 IKED Cc1nc(-c2cccs2)sc1/C(O)=N/c1nc(-c2ccccc2Br)n[nH]1 28903126 SDVXTFPRHUJYJV-UHFFFAOYSA-N 446.355 5.364 30 20 IKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)/C=C\c1ccc(C#N)cc1 97996500 CBNZGKSQTBBWJR-QBFSEMIESA-N 432.545 5.269 30 20 IKED C=CCOc1ccc(CN[C@H](c2ccc(CC)cc2)c2cccc(S(C)(=O)=O)c2)cc1 236969655 UAFNUVZFTYLELM-AREMUKBSSA-N 435.589 5.097 30 20 IKED N#CCCn1cc(CNCc2cccnc2Oc2cccc(F)c2)c(-c2ccccc2)n1 237764069 QAILXXHXYQYTJF-UHFFFAOYSA-N 427.483 5.080 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(-n2ccnc2)c(F)c1 409807722 ADDQWDBXLRETRD-UHFFFAOYSA-N 441.466 5.306 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1cc2c(cc1Sc1ccccc1)OCCO2 426096977 OLRMKVGUMPMMLK-UHFFFAOYSA-N 435.505 5.150 30 20 IKED COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1cccc(SCC#N)c1 429783394 HQQGFUVLHUYGBY-GOSISDBHSA-N 431.355 5.051 30 20 IKED CCN(C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H](Cc1ccc(F)cc1)C(C)C 438081366 ZKRSSCZHKQNHTA-XMSQKQJNSA-N 427.589 6.199 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(C(F)(F)F)c(F)c3)s2)cc1 439211368 CWRHYPHPDKCEKM-UHFFFAOYSA-N 438.431 5.112 30 20 IKED CC(C)c1nnc2n1CCN(C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)[C@@H]2C 439231612 VTRXITBGPVOVKM-UZLBHIALSA-N 448.958 5.319 30 20 IKED O=C(N1CCC(C(F)(F)F)(C(F)(F)F)C1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 440453142 PQERXNLNWXLYQE-UHFFFAOYSA-N 437.277 5.219 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1cccc(-c2cnco2)c1)c1ccc(C(F)(F)F)cc1 442032644 OJSLNNCXIQTJDC-LJQANCHMSA-N 443.425 5.123 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)Nc1cccc(Oc2ccccc2)c1 446419656 PTVUFGJLFLNWEJ-KRWDZBQOSA-N 431.517 5.450 30 20 IKED N#CCCN(C(=O)CCc1nc(-c2ccc(Cl)cc2)no1)C12CC3CC(CC(C3)C1)C2 460463848 XXAWSRNRGRWYFB-UHFFFAOYSA-N 438.959 5.034 30 20 IKED N#Cc1ccc(-c2nnc(N3CCCC[C@H]3c3ccccc3)n2C[C@@H]2CCCCO2)cc1 461843507 QRLDBUAPBYKSIE-ZEQRLZLVSA-N 427.552 5.117 30 20 IKED N#Cc1ccc(NCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1C(F)(F)F 462179794 YYTLYEMWMCFBHN-FQEVSTJZSA-N 433.430 5.095 30 20 IKED CC(C)Oc1cc(Br)cc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c1 464461811 NOKFXECKSFEFIH-OAHLLOKOSA-N 427.220 5.140 30 20 IKED CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 464939207 IRAVVVZGFSXVGK-DEOSSOPVSA-N 439.559 5.335 30 20 IKED N#CCCCOc1cccnc1NC(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 466606095 FYQKKNNQFLEEPK-GOSISDBHSA-N 432.446 5.542 30 20 IKED COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)C[C@@H](CC#N)c1ccccc1)CC2 474430048 XVICPGITCYSGKR-DFHRPNOPSA-N 440.543 5.265 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)n1 474445449 MAVKVXZFZSZOQC-SNVBAGLBSA-N 439.850 5.009 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 476077597 FAQHAUNAGBJIJY-UHFFFAOYSA-N 448.588 5.616 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1 476120468 CNYSUKJOSKKZNK-UHFFFAOYSA-N 427.548 6.743 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCO[C@H](c4ccc(F)cc4)C3)cc2F)c1 481680672 AQVSNVDRLLVYJS-DEOSSOPVSA-N 449.457 5.021 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](C)Oc1ccccc1Br 483625776 NMSFBEJMYIMMER-HUUCEWRRSA-N 448.386 5.290 30 20 IKED C[C@H](C#N)CSc1ccccc1NCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 484758891 WRPXXLQWGNNTTP-LLVKDONJSA-N 428.772 5.949 30 20 IKED Cc1csc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1Br 485779884 BYQZBPZCODNGEB-UHFFFAOYSA-N 427.323 5.522 30 20 IKED C=CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1)c1ccccc1 488675859 LVVIOZCKKWZZQE-HSZRJFAPSA-N 434.561 5.403 30 20 IKED CCCc1c(NC(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)cnn1-c1cccc(C#N)c1 488718848 WORIIPCFJAYAJF-LBPRGKRZSA-N 448.474 5.054 30 20 IKED COc1ccc(-c2noc([C@@H](C)Nc3cccc(OCc4cccc(C#N)c4)c3)n2)cc1 489700692 DKFZMAUDHNYAGD-QGZVFWFLSA-N 426.476 5.369 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Cl)c(C(=O)N(CC)C(C)C)c1 490471282 OKRCLMAGDYMAFS-UHFFFAOYSA-N 443.975 5.439 30 20 IKED N#C[C@@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccc(Br)cc1 499431689 LUDUFSTWZMSFRE-MRXNPFEDSA-N 425.307 5.065 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c1 502664817 SAGHWSPNILDLLY-UHFFFAOYSA-N 440.503 5.233 30 20 IKED CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 503059633 ZISGTDAHNSQFSY-HSZRJFAPSA-N 439.899 5.204 30 20 IKED CC[C@@H](CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(OC)cc1 503351706 YXTFUUDXNCKGCP-KRWDZBQOSA-N 438.578 5.233 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc(C)c1OCc1cccnc1 503425630 ZURSJYLPEDNKBU-LJQANCHMSA-N 447.947 6.031 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3nnc(-c4ccco4)o3)n2)o1 504503916 PAJTZLQXRGXVSE-UHFFFAOYSA-N 432.383 5.476 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 505336666 CZHVNHRZDUNUGA-CQSZACIVSA-N 438.673 5.744 30 20 IKED N#C[C@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1cccc(C(F)(F)F)c1 505923187 QUQQEEUDROOSJN-FQEVSTJZSA-N 438.409 5.344 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cscc3Br)c2)cc1 506662988 UMXNRZINSUATHJ-UHFFFAOYSA-N 427.323 5.408 30 20 IKED CCOc1cccc2cc([C@@H](C)NC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)oc12 508193253 UKOIWLHETALYAM-QGZVFWFLSA-N 433.508 5.017 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2ccc(CN3C(=O)Cc4ccc(Cl)cc43)cc2)c1 508548016 YABRQAUTRZVVKR-UHFFFAOYSA-N 436.298 5.207 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 509580157 PIIRZZSHUAZSFJ-INIZCTEOSA-N 445.479 5.074 30 20 IKED COc1ccc(-c2cc(C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)sc2C)cc1 509929157 UJZLIJMWCJMUAL-UHFFFAOYSA-N 447.560 5.119 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ccnc(-c2ccc(Br)cc2)n1 512507397 ZBYXIFKSYKWPIT-UHFFFAOYSA-N 440.389 5.262 30 20 IKED Cc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c2cnn(Cc3cccs3)c2n1 517518678 RHRSOQDQQXJJCA-MRXNPFEDSA-N 447.589 5.496 30 20 IKED Cc1c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)nnn1-c1ccc2ncccc2c1 518734205 BMVCNPNUNDGRCN-UHFFFAOYSA-N 446.470 5.040 30 20 IKED C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 521070006 AVNNTUHXGHQMPF-NRFANRHFSA-N 427.548 5.440 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)NC[C@H](NCc1ccccc1)c1ccco1 521480264 WLTYUERMPSBFJE-QHCPKHFHSA-N 437.499 5.204 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2ccc(O[C@H]3CCOC3)cc2)cc1Cl 523556961 WGLLQJBAWVVIQM-JTHBVZDNSA-N 447.922 5.807 30 20 IKED Cc1cc(Br)ccc1NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 523586536 QHZQALJOGNJMSH-UHFFFAOYSA-N 428.330 5.141 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ncoc1-c1ccccc1Cl 525654554 CYSXXWSUVFKTFA-UHFFFAOYSA-N 429.863 6.220 30 20 IKED CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 526938711 XRTFGHYSSXNFPG-UHFFFAOYSA-N 439.537 5.042 30 20 IKED Cc1cc(OC(C)C)ccc1NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 527110047 KNPOZTRAHYXOQP-UHFFFAOYSA-N 429.476 5.023 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(Br)cc1 530986380 QMCUUUNTUKYMLN-DNVCBOLYSA-N 444.398 6.212 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1ccc(Cl)cc1)C1CCC1 539308433 JDPQGKAKNQMLRY-MWTRTKDXSA-N 428.001 5.661 30 20 IKED CC(=O)N[C@H](CC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc(Cl)cc1 542001972 YKYDZSKCPKPTLM-CRICUBBOSA-N 445.950 5.323 30 20 IKED CCN(CC)C(=O)Nc1ccc([C@@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 542996159 VZYVYIPWSSWXOY-NHCUHLMSSA-N 440.591 6.511 30 20 IKED C[C@@H]1C/C(=C\c2ccco2)c2nc3ccccc3c(C(=O)N3CCC(CC#N)CC3)c2C1 543839313 LDZGPQLLJBZLLV-GMQRBVGNSA-N 425.532 5.717 30 20 IKED C=CCOc1ccc(/C=C\c2nc(Cc3coc(-c4ccc(OC)cc4)n3)no2)cc1OC 544046598 OOTOTRBCBVGJAV-SDQBBNPISA-N 445.475 5.068 30 20 IKED N#Cc1ccc(-c2nc(-c3ccccc3-c3ccc(CN4CCCC4=O)cc3)no2)s1 545612334 ISTNBTNQFXDWHS-UHFFFAOYSA-N 426.501 5.126 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1)c1ccccc1 549304414 MOVGZLLUEBBHSH-KRWDZBQOSA-N 425.941 5.226 30 20 IKED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(c2ccccc2C(F)(F)F)CC1 549691785 MSWCTSGEOBIGJF-OXJNMPFZSA-N 434.506 5.355 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@@H](c3cccc(F)c3)C2)cc1 552625860 DRGJCMQZSYADRX-OAQYLSRUSA-N 429.495 5.492 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2noc(-c3cccs3)n2)cc1Cl 553623855 LPXHFBMTROMYRE-KRWDZBQOSA-N 449.923 5.429 30 20 IKED C=C(C)Cn1c(C2CCCC2)nnc1N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 555256931 YMAQAXBXJYIKDC-LJQANCHMSA-N 436.535 5.085 30 20 IKED N#Cc1ccc2c(c1)N(C(=O)c1ccccc1-c1nc(-c3cccc(Cl)c3)no1)CC2 555772007 MNLSFOGNBZZDFU-UHFFFAOYSA-N 426.863 5.132 30 20 IKED CC[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(OC(F)(F)F)cc1 556893438 UBTGTNFSPJRONO-FQEVSTJZSA-N 431.458 5.731 30 20 IKED COc1ccc([C@H]2NC(=O)N(c3ccc(Oc4ccc(C#N)cc4)cc3C)C2=O)cc1Cl 561031476 BWHINKYYVLWGCT-JOCHJYFZSA-N 447.878 5.119 30 20 IKED N#C[C@H](NC(=O)c1cccc(OCc2cccs2)c1)c1ccc(OC(F)(F)F)cc1 561290618 IVTIQFINYZHCMN-IBGZPJMESA-N 432.423 5.220 30 20 IKED COc1ccncc1CN[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 561854426 FQVQHQGXBYKTGJ-AWEZNQCLSA-N 432.286 5.521 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)Cc1nc2c(s1)CCCC2 563473251 GBDYAJRXJTUVNU-CVDCTZTESA-N 449.624 5.071 30 20 IKED COC(C)(C)c1nc(C)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)s1 566768220 XYQUDIRWQBHMAK-UHFFFAOYSA-N 435.549 5.344 30 20 IKED Cc1ccsc1[C@@H](Cc1ccccc1)NCC(=O)Nc1ccccc1SC[C@@H](C)C#N 577025614 HLFPWGRMMROHML-PGRDOPGGSA-N 449.645 5.820 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)N1CCN(c2cccc(C(F)(F)F)c2)CC1 590335352 JTNIEJBZQPVINU-UHFFFAOYSA-N 435.343 5.217 30 20 IKED CC(C)(C)n1cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)c(-c2ccccc2Cl)n1 595127214 HJIDYTHNSOGAOV-SFHVURJKSA-N 428.923 5.997 30 20 IKED CCOc1ccc(C(=O)CCC(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc1OCC 603469530 RUFAZIIEXIQWJW-KRWDZBQOSA-N 449.334 5.135 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(-c4nc5ccccc5s4)o3)cn2)c1 603627079 PABWXIJHNQHHSB-UHFFFAOYSA-N 438.468 5.868 30 20 IKED COc1ccc2ccccc2c1CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 603649092 VYUUSHCXONFCOH-UHFFFAOYSA-N 428.517 5.089 30 20 IKED C[C@H]1CCCN(Cc2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)cc2)C1 603896066 VRNNGYXHOFTIDX-IBGZPJMESA-N 429.520 5.214 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nc2ccc(C(F)(F)F)cc2[nH]1 603938038 IASIEDXWSCRHNX-ZDUSSCGKSA-N 448.470 5.018 30 20 IKED CN(C)C(=O)c1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 604089847 OEAQOFDCZBVRJT-UHFFFAOYSA-N 448.910 5.027 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2cccc(-c3n[nH]c4c3CCCC4)c2)c1C#N 604240782 ZSKGSFAEWSVZIG-UHFFFAOYSA-N 429.549 5.074 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCc2c(Br)cccc21 609049470 AUZRWGOTWVDKAM-NRFANRHFSA-N 426.358 5.176 30 20 IKED N#C[C@@H](C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1nc2cc(F)ccc2s1 609322096 ZPUXJOQDCPCOBV-INIZCTEOSA-N 432.436 5.577 30 20 IKED N#CCCSc1ccccc1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 609378761 NJLWZAKELPBUKA-QFIPXVFZSA-N 429.545 5.192 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3I)cc2)c1 609427341 DKFZXJOLTGTNIC-UHFFFAOYSA-N 440.240 5.207 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 609427755 IJJIXQBLRFWDHD-INIZCTEOSA-N 428.579 5.049 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 609430552 NNBDHBFGEDMCBS-ZDUSSCGKSA-N 441.354 5.486 30 20 IKED COc1ccc(OC2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)cc1 609435303 FLPFDFBXAWUBSE-KRWDZBQOSA-N 425.554 5.165 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)c1 609460740 DZCKGFRKMPWPQL-QFIPXVFZSA-N 435.405 5.151 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cc(O)nc2ccc(F)cc12 609967790 GZUOVBZJHBKLLN-UHFFFAOYSA-N 429.426 5.246 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(-c3ccncc3)cc2)cc1 610069647 MELRKQFRUZNIFR-UHFFFAOYSA-N 435.552 5.843 30 20 IKED CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1 610415246 IAOYSIYIMFEMHH-KRWDZBQOSA-N 449.532 5.027 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](Oc4ccccc4Cl)C3)cn2)cc1 611041655 MEDIWFZBFXSZOV-LJQANCHMSA-N 434.883 5.084 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 611495290 VPESARZVRXLNAU-GJZGRUSLSA-N 428.332 5.163 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccccc3SCc3ccco3)ccc21 615882094 GCYPUVBHGLJTAM-UHFFFAOYSA-N 445.544 5.407 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1)c1cccc(C#N)c1 619020816 KNSZOXRETLFASA-LBPRGKRZSA-N 428.279 5.330 30 20 IKED COc1cccc(CN(C)C(=O)N[C@H](C)c2cccc(C#N)c2)c1OCc1ccccc1F 619759141 ONLWYCVKXLXBDW-GOSISDBHSA-N 447.510 5.188 30 20 IKED C[C@H](Oc1ccc2ccccc2c1)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccs1 619853988 PYXDMGGNOKYGQV-BXKMTCNYSA-N 447.539 5.123 30 20 IKED C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 669815828 DOUYFHIVYODFMJ-IBGZPJMESA-N 436.519 5.205 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1C(F)F 669933699 QLMLYRFVVSEMBB-SECBINFHSA-N 433.343 5.054 30 20 IKED CC(C)(CC(F)(F)F)NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 682049200 YTWYBOHZGADODN-UHFFFAOYSA-N 439.331 5.884 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC(F)(c2ccccc2)CC1 683977723 UCNPVHQWORAUGQ-HUUCEWRRSA-N 440.403 5.566 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OC)cc2)[n+]2ccc3c(c2)CCCC3)c1 726572663 IABJOTFEUMUPOK-UHFFFAOYSA-O 441.576 5.166 30 20 IKED Cc1cc(C)c(NC(=O)CCCOC(=O)c2occc2COc2cccc(C#N)c2)c(C)c1 726692061 SKDFMLXWKMLEMG-UHFFFAOYSA-N 446.503 5.231 30 20 IKED C=C(C)COc1cccc(NC(=O)/C=C/c2ccc(OCc3c(C)noc3C)c(OC)c2)c1 727330621 OJOJPUYGPQIPCA-ZRDIBKRKSA-N 448.519 5.486 30 20 IKED N#CCOc1ccc(CNC(=O)c2oc3ccccc3c2COc2ccccc2Cl)cc1 727674772 DZUQFZFLGMSRFI-UHFFFAOYSA-N 446.890 5.498 30 20 IKED Cc1csc([C@@H](C#N)C(=O)[C@@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)n1 730393837 CMWDUWGNQGSQSQ-KXBFYZLASA-N 433.385 6.468 30 20 IKED N#Cc1ccccc1COc1cccc(C=Nn2c(S)nnc2-c2cccc(Cl)c2)c1 731314621 OUJPTGMCHJFVOK-UHFFFAOYSA-N 445.935 5.220 30 20 IKED COc1cc(/C=C2\CCc3nc(-c4ccccc4F)sc3C2=O)cc(OC)c1OC 731938026 OEXXGGMUNRBNHN-GXDHUFHOSA-N 425.481 5.188 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cc(Cl)ccc2N2CCCCC2)c1 733841360 BSIRSOXFIOXJLW-IBGZPJMESA-N 426.948 5.333 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=S)Nc3ccc(SC(F)F)cc3)c2)s1 739437988 SMUAXVRVLBVDCP-UHFFFAOYSA-N 431.558 6.088 30 20 IKED COc1ccc(/C=C\C(=O)c2ccc(-c3ccccc3OC)cc2)cc1OCCCC#N 741470025 OWCLRSHTEROWHL-DHDCSXOGSA-N 427.500 5.949 30 20 IKED COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3c(Cl)nc4sccn34)c2)cc1 741844429 OYJXSRCFKGXLNL-YHYXMXQVSA-N 437.908 5.206 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)cc1 743483250 XXQYRBWIDGLWFW-OAQYLSRUSA-N 428.536 5.546 30 20 IKED CCCCc1oc2ccccc2c1/C=C/C(=O)OCc1nnc(-c2cccc(C#N)c2)o1 744510062 BSDZYVPAMVRVQM-OUKQBFOZSA-N 427.460 5.454 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2csc(-c3ccccc3)n2)c1 744762022 UQUKUAXDZBTIPV-UHFFFAOYSA-N 449.605 5.583 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(Cl)ccc2OC(F)F)cc1 745929721 GLOJLOBSQLSXSD-FQEVSTJZSA-N 441.865 5.919 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H](c2ccccc2)N2CCSCC2)cc1 746829462 KXWNNNWVEYWQNF-DQEYMECFSA-N 427.573 5.071 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)n1 747193358 IRGQGGAYAAKYHT-XJKSGUPXSA-N 445.997 6.073 30 20 IKED O=C(/C=C/c1csc(-c2cccs2)n1)c1ccc(S(=O)(=O)C2CCCC2)cc1 749005015 HOXJCZRMUBEQNQ-FMIVXFBMSA-N 429.588 5.484 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)CCCCc1ccc(Cl)c(Cl)c1 753533159 MNLWLFUUNAHVSJ-MRXNPFEDSA-N 433.335 5.452 30 20 IKED CC1(C)C(=O)Nc2ccc(C(=O)/C=C\c3cn(Cc4ccccc4)nc3-c3cccnc3)cc21 759118831 DNYWYJSAJYNHTC-QBFSEMIESA-N 448.526 5.119 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN2CCC[C@H](c3nc4ccccc4s3)C2)c1=S 764858025 VGPNGDKVIZNRNH-KRWDZBQOSA-N 448.621 5.109 30 20 IKED COc1cc(/C=C\C(=O)c2ccco2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 769772032 VCJAUKZVOILIRP-NTMALXAHSA-N 445.393 5.221 30 20 IKED C[C@@H](CSCc1ccccc1)C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 772966297 ZLDPLQNKYQFAMC-WMLDXEAASA-N 437.590 5.021 30 20 IKED COCCc1nc(C)c([C@@H](C)OC(=O)c2cccc(COc3ccccc3C#N)c2)s1 773910873 HPQBHFTYVMMDAZ-QGZVFWFLSA-N 436.533 5.009 30 20 IKED C=C(C)[C@H](NCc1nnc(-c2ccc(Br)s2)o1)c1ccc(F)c(F)c1 775725991 YCPLNBPBGLQLQP-INIZCTEOSA-N 426.286 5.246 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H](c2ccc(F)cc2)c2ccccc2Cl)ccc1OC 779103566 ZSJSESPKMJRKCM-CJFMBICVSA-N 438.930 6.048 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1 780933239 VRRVIIOZGLDZIL-NTKDMRAZSA-N 446.572 5.580 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(Oc2ccc(F)nc2)CC1 792269203 NRTBZUGNOBCFPC-UHFFFAOYSA-N 446.482 5.268 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 796628617 LCOHOJKDLKDHNX-RCCFBDPRSA-N 426.394 5.070 30 20 IKED N#C[C@H](C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 796796218 CCRBVHBAAQKPON-GIPNMCIBSA-N 433.282 6.272 30 20 IKED C=CCOc1cccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)c1 797272572 NZXIWDYDGHIDLT-SFQUDFHCSA-N 432.332 5.746 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 802599819 HLOZFBKZMPOEQR-QGZVFWFLSA-N 434.931 5.095 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 806263124 BRPNIEPCCDHBEZ-YADARESESA-N 445.588 6.249 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 822204011 ZYMIZUJSLADRKP-UHFFFAOYSA-N 431.275 5.457 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2ccc([N+](=O)[O-])cc2)cs1 916244849 BGYLUVVBJYUJMN-UHFFFAOYSA-N 449.414 5.201 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(-c2ccccc2F)o1 916887799 RARBJJXLEYAQAN-HNNXBMFYSA-N 430.407 5.362 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(SC(F)(F)F)cc1 916901992 UWLIPOPBKCPQEL-CYBMUJFWSA-N 442.846 5.230 30 20 IKED N#C[C@H](C(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1Cl 916909566 MNNHYIANXNIRBZ-CYBMUJFWSA-N 425.699 5.153 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3ccc(F)cc3)nc2C)cc1 916914498 MBKRMJPQFDGZCD-FQEVSTJZSA-N 435.524 5.561 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3cc(Br)ccc3o2)cc1 916914992 AJEZFCBXTLSDNJ-GOSISDBHSA-N 439.309 5.499 30 20 IKED COc1ccc(-c2cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)sc2C)cc1 916937109 BHHUAQHHCDIORM-KRWDZBQOSA-N 442.899 5.486 30 20 IKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2F)o1)c1nc2cc(Cl)ccc2s1 917043381 HZOUMHUDYMFPSI-CQSZACIVSA-N 425.872 5.553 30 20 IKED COc1ccc2c(c1)CCC[C@H]2CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 920112829 KZOUPWKCCGQTCE-KSSFIOAISA-N 444.478 6.010 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3cc(C)ccc3Cl)n2)cc1 920139329 RIYZWUSLBQCTLG-WMLDXEAASA-N 426.925 5.424 30 20 IKED Cc1oc2ncnc(O)c2c1C(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 1557059138 QSRGSZAVXXFRJT-UHFFFAOYSA-N 436.880 5.165 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc(F)ccc3Cl)CCC2)cc1 1786679271 WTGHOHZGXQQUNY-UHFFFAOYSA-N 432.948 5.146 30 20 IKED Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)n1 1787323836 ZNUJDMZPJOAYFG-UHFFFAOYSA-N 447.655 5.189 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cnccc4[nH]3)CCC2)cc1 1789453636 DBUVOBQDRAECLB-NRFANRHFSA-N 428.536 5.079 30 20 IKED CC[C@H](C(=O)NC1(c2ccc(NC(=O)[C@@H](C)ON=C(C)C)cc2)CCC1)c1ccccc1 1790565297 YQODMHLKWZBNAR-XXBNENTESA-N 435.568 5.115 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3cc4cccnc4cc3F)CCC2)cc1 1791249657 WYCOSYLPWCNERI-SFHVURJKSA-N 445.538 5.263 30 20 IKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)c[nH]1 1792123942 UZDAMBSIIBSCPS-KRWDZBQOSA-N 426.520 5.012 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)[nH]n1 1814829516 SKWVWJRAYKLMEB-JOCHJYFZSA-N 449.530 5.104 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cccc(C)c2)[nH]n1 1819303732 ZYOLMCJKYBPCFK-GMAHTHKFSA-N 434.584 5.111 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3scnc3c2)[nH]n1 1819307229 QHWMYIMETHAIHN-XLIONFOSSA-N 449.580 5.094 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccsc3[nH]2)n[nH]1 1821435914 ATFGAAPYZFBEFR-LPHOPBHVSA-N 437.569 5.027 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)C1 1823697907 FCBKOIBQYINDRF-VWLOTQADSA-N 434.624 5.084 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3cc[nH]c23)CC1 1828317688 JWDNFPFHCAVXPD-VWNXMTODSA-N 433.596 5.170 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)oc2C(F)(F)F)CC1 1831371981 QTKJJENWPVHMLX-KXBFYZLASA-N 440.506 5.052 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(C)ccc23)CC1 1832961937 MMBSVMBEOWAFIH-PYEYBSRVSA-N 447.623 5.321 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2cccc3ccccc23)cc1 11127691 BMPPLEXNNJCVTH-UHFFFAOYSA-O 445.633 6.419 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2ccc(C)c(F)c2)c1 14872452 NTZOLLSRMDIGKZ-UHFFFAOYSA-O 448.370 6.088 30 20 IKED COc1cc(-c2cc(C(=O)Nc3cccc(C#N)c3)c3ccccc3n2)cc(OC)c1OC 26676348 VZBQZQWSCXZTPJ-UHFFFAOYSA-N 439.471 5.052 30 20 IKED CC(C)c1ccc(NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c(C(C)C)c1 58052086 SSIAZLGBDRIIMM-UHFFFAOYSA-N 444.583 5.327 30 20 IKED CCCN(Cc1ccc(-c2ccccc2C#N)cc1)C1CCN(C(=O)c2ccccc2)CC1 110285707 MMKRKSCVHDGXOB-UHFFFAOYSA-N 437.587 5.742 30 20 IKED Cc1ccc(NC(=O)C(=Cc2ccc(O[C@H](C)C#N)cc2)C(=O)Nc2ccc(C)cc2)cc1 110970843 QUFODWYQYYYKCJ-HXUWFJFHSA-N 439.515 5.255 30 20 IKED CCCN(CC)c1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cn1 303104433 IWNOICWGIDCYJX-UHFFFAOYSA-N 428.536 5.215 30 20 IKED C=CCCc1ccccc1NC(=O)c1ccc(OCc2cc(C)no2)c(Br)c1 410389523 BYIXLMAIXQTGBL-UHFFFAOYSA-N 441.325 5.695 30 20 IKED C=CCn1c(SCc2cccc3c(Br)cccc23)nnc1-c1cnccn1 428068154 XOOLMWFMTXAOPE-UHFFFAOYSA-N 438.354 5.129 30 20 IKED N#Cc1ccc(F)c(CS(=O)(=O)Nc2ccccc2NC23CC4CC(CC(C4)C2)C3)c1 428248275 VSPWNPOFEQUOBN-UHFFFAOYSA-N 439.556 5.020 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(c4ccncc4)CC3)c2)cc1 429468924 MRUFULRRBWBMIT-UHFFFAOYSA-N 426.520 5.138 30 20 IKED CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H](C#N)c1ccccc1F 430811669 RENDPXKNQLPEJX-INIZCTEOSA-N 432.282 5.906 30 20 IKED CC1(C)CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)[C@H]1c1cccnc1 432682981 WMSACUZGFROXML-DEOSSOPVSA-N 426.520 5.342 30 20 IKED COc1ccc2[nH]cc(C3CCN(C(=O)c4sc5ccc(C#N)cc5c4C)CC3)c2c1 432886691 XMNKRSUJSGYSDR-UHFFFAOYSA-N 429.545 5.591 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)N1CC[C@H](CC(F)(F)F)C1 434157857 QQBFMVDNLUFOIY-SECBINFHSA-N 438.290 5.453 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CC3(CC3)c3ccccc32)cc1Cl 434526274 OKYWOHONQQLXQM-HXUWFJFHSA-N 441.918 5.012 30 20 IKED C=CCC[C@H](NC(=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1)c1ccccc1 435763654 RBAHAKVOWKYUPZ-XXBNENTESA-N 438.547 5.076 30 20 IKED C[C@H](N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1nc(C(F)(F)F)cs1 437042948 ZVNWPXWJOHRTFA-GZMMTYOYSA-N 436.343 6.525 30 20 IKED N#Cc1ccccc1CSCCNC(=O)Nc1ccc(COCc2ccccc2)cc1 438380277 ZGHDKAIJBAIPBK-UHFFFAOYSA-N 431.561 5.330 30 20 IKED CSc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1Cl 439326432 TWCCGDNARNAZER-UHFFFAOYSA-N 437.908 5.303 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cn(-c4ccc(Cl)cc4)nc3C)n2)cc1 442863471 REJGVJSRGUIRFK-IBGZPJMESA-N 448.935 5.456 30 20 IKED CCN(Cc1ccc2ccccc2c1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446634777 OHXOJRSMLTZRFV-UHFFFAOYSA-N 428.536 5.028 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 448370443 IIPJFOIMFHJEEC-MRXNPFEDSA-N 446.041 6.380 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(Br)c(F)c2)cc1 461504746 ARXQQBOLXNUYQJ-UHFFFAOYSA-N 441.325 6.004 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(-c3cscn3)c2)cc1Cl 463390504 IIBIJNROODTTSP-OAQYLSRUSA-N 429.932 6.371 30 20 IKED C=CCn1c(SCc2nnc(-c3ccccc3)s2)nnc1-c1ccc(Cl)cc1 463797118 HUFHBDKIJQMPKE-UHFFFAOYSA-N 425.970 5.595 30 20 IKED N#Cc1cc(NC(=O)c2cccc(-n3cncn3)c2)ccc1Oc1ccc(C(F)(F)F)cc1 464274230 GEXHWETTYDDSDF-UHFFFAOYSA-N 449.392 5.202 30 20 IKED Cc1nn(-c2ccccc2)c2sc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)cc12 464420664 NTHBDZOMFGTPLW-MRXNPFEDSA-N 426.423 5.299 30 20 IKED C=CCn1c(SCC(=O)N2C[C@H](C)C[C@H]2CC)nnc1-c1ccc(Cl)cc1Cl 465295790 NUTRHSSHUQVJGZ-UKRRQHHQSA-N 439.412 5.177 30 20 IKED C[C@@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)Oc1cccc(Cl)c1 466190384 AQVMKNAFICOXCJ-SFHVURJKSA-N 449.938 5.574 30 20 IKED CC[C@@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1nc(C(F)(F)F)cs1 467704119 HHFZKURLYMQQTM-VXGBXAGGSA-N 428.505 5.686 30 20 IKED C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 467918703 HDUBQVZCOZXLOK-SCZZXKLOSA-N 438.290 5.451 30 20 IKED N#CCCCN1C(=O)CCc2cc(NCc3ccc(-c4ccccc4[N+](=O)[O-])s3)ccc21 468783419 BZBFZJADKJFKEQ-UHFFFAOYSA-N 446.532 5.518 30 20 IKED N#CCCCn1cc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c2ccccc21 468795168 BWLKRMRRIOAACB-UHFFFAOYSA-N 433.939 5.334 30 20 IKED C[C@@H](CC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1C(F)(F)F 469972351 IOFSOCWRTZPJSU-INIZCTEOSA-N 443.469 5.421 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)C3(c4cccc(Cl)c4)CCCC3)ccc21 470769568 PEICVLWNHXTUJL-UHFFFAOYSA-N 435.955 5.373 30 20 IKED Cn1c([C@H](C#N)C(=O)c2cc(Oc3cccc(Br)c3)ccn2)nc2ccccc21 474826703 CCWAMFKNAHNDCL-QGZVFWFLSA-N 447.292 5.013 30 20 IKED COc1ccccc1-c1csc(C2CCN(c3c(C#N)nnc4ccccc34)CC2)n1 478134026 HMLFRTZBIODHOY-UHFFFAOYSA-N 427.533 5.018 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)cc1 479559777 RQPWFKRZJQLZFH-UHFFFAOYSA-N 441.556 5.474 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CCC)[C@@H]2CCCc3cccnc32)cc1 480838087 MEMQNRPZPDSMMS-HSZRJFAPSA-N 432.568 5.217 30 20 IKED N#CCCN(CC(F)(F)F)C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 482666775 XXDZLLRZUFJEFB-UHFFFAOYSA-N 444.240 5.164 30 20 IKED C=CCN(CCOC)C(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 483726345 MWNFOFAXSZJHKT-UHFFFAOYSA-N 441.915 5.240 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)cc1 487839379 JURSPWYZOUDGON-ROUUACIJSA-N 426.360 5.272 30 20 IKED Cc1cc(C)cc(-c2nnc(SCC(=O)Nc3ccccc3SC[C@@H](C)C#N)o2)c1 488763124 IVRLRGYEIQMKSH-INIZCTEOSA-N 438.578 5.336 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccccc1)[C@H](CO)C1CC1 490326570 IRZQABKVGZSENQ-AREMUKBSSA-N 441.531 5.464 30 20 IKED N#Cc1cc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)ccc1Cl 494738527 NCBDFXNMBMJTPK-UHFFFAOYSA-N 432.730 5.279 30 20 IKED Cc1nc([C@H]2CCCCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)no1 500921398 FKOWRWZUQOVPCQ-RBBKRZOGSA-N 449.942 5.836 30 20 IKED C=CCN(C(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl)c1nc(C(=O)OCC)cs1 501948288 MAASAOHWAZUJIF-LLVKDONJSA-N 445.393 5.326 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1Sc1ccccc1 502629925 GDAPKWFYHXGXJT-UHFFFAOYSA-N 431.561 5.068 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 504972748 KFKGQZKNXIIUBV-XMMPIXPASA-N 432.955 5.512 30 20 IKED CN(C(=O)c1cccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1)c1ccccc1 505338315 OKLURSFGJCUXQX-HXUWFJFHSA-N 438.314 5.265 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Br)cc1Cl)c1nc(-c2ccccc2)cs1 505463175 YNGLTNLXFKMNRQ-ZDUSSCGKSA-N 432.730 5.472 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3c4c(nc5ccccc35)CCC4)n2)cc1 505711298 VNOXOJJBOIAAMC-IBGZPJMESA-N 425.513 5.346 30 20 IKED CC(C)(C)c1noc(-c2ccccc2C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)n1 505975949 IUYGCQLBNABQKN-KRWDZBQOSA-N 428.414 5.048 30 20 IKED CCN(C(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12)[C@H](C)c1ccc(C#N)cc1 509558594 JKGRCIYHBUMOQX-MRXNPFEDSA-N 430.552 5.784 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12 509600991 FWJANBXEYFXMET-UHFFFAOYSA-N 432.524 5.600 30 20 IKED N#CCC[C@H](NC(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1)c1ccccc1 510317355 FLOYDAVIUINESA-REWPJTCUSA-N 449.599 5.517 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 510594434 UWQJYFONDJLFDS-CQSZACIVSA-N 427.382 5.170 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)ccc1OCc1ccccc1 510606586 QVJBUXAZHHPHRN-IBGZPJMESA-N 443.547 5.958 30 20 IKED COCc1nc(CNC(=O)c2sc3ccc(C#N)cc3c2C)c(-c2ccccc2)s1 512468941 NKWOGCGQRARMGT-UHFFFAOYSA-N 433.558 5.281 30 20 IKED CCc1cc(=O)c2cc(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)ccc2[nH]1 512572810 NBZABFFTVYHVII-UHFFFAOYSA-N 425.513 5.366 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)c1 513491083 HAGDOHLFKINLLK-UHFFFAOYSA-N 439.515 5.062 30 20 IKED CCCNC(=O)c1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 513981970 VFQNTDXZRQCHRW-UHFFFAOYSA-N 444.510 5.071 30 20 IKED CC1(C)CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)[C@@H]1[C@H]1CCCO1 514759508 ZQVJOQUGJLYYBR-FGZHOGPDSA-N 439.943 5.212 30 20 IKED Cc1cc(CN(C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc(C)c1OCC(F)(F)F 515773532 VDUYIOQYAPWVPI-UHFFFAOYSA-N 433.474 5.710 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccccc3)C3CC3)cc2Cl)cc1 515899510 WCVUSISUXHZFAQ-HSZRJFAPSA-N 445.906 5.210 30 20 IKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)c12 516072331 GLDBGPMCCFXPAK-LBPRGKRZSA-N 447.589 5.316 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)cc1 516615650 BFWIHIKPMDOGTR-UHFFFAOYSA-N 449.392 5.202 30 20 IKED Cc1ccc(-c2nc(CSCC(=O)Nc3ccccc3SC[C@H](C)C#N)cs2)o1 517460916 FMGYKIPYSTVVGS-CQSZACIVSA-N 443.619 5.835 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2F)c1 520316079 ADBGSTIWZGJWFR-UHFFFAOYSA-N 425.803 5.090 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(c1ccccc1)c1ccccc1 521087213 SXPGKXYGPLGQCK-FQEVSTJZSA-N 433.511 5.696 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCC(OCCc4ccccc4)CC3)c2)c1 522561227 JWUPWLFSCZCQNU-UHFFFAOYSA-N 440.543 5.001 30 20 IKED COc1cc(CSCC(=O)NC2CCC(C)CC2)ccc1OCc1cccc(C#N)c1 523937881 LEADFMVVFWWTKK-UHFFFAOYSA-N 438.593 5.074 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)[nH]c12 524034866 BBIJRTYSAZQCMX-QGZVFWFLSA-N 446.850 5.715 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 524487640 XHGGMFXBOOFVQD-SFHVURJKSA-N 427.529 5.641 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)Nc3cccc(OCCCC#N)c3)ccc21 524537059 BQDJCBAMORYHJC-UHFFFAOYSA-N 430.430 5.571 30 20 IKED Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)N(CC#N)C3CCCC3)c12 524584620 KZOAESQBIQCZKE-UHFFFAOYSA-N 441.560 5.366 30 20 IKED Cc1nnc(-c2cccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c2)o1 525687772 IJHBPFZXVSVRHG-OAQYLSRUSA-N 428.879 5.606 30 20 IKED C[C@@H](C(=O)N[C@H](C#N)c1ccc(Br)cc1)c1cccc(C(=O)c2ccccc2)c1 535584827 FLIJPMRPCZZRFU-OPAMFIHVSA-N 447.332 5.165 30 20 IKED Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)Nc1cccc(OCCCC#N)c1 535999807 URTQNUNNZOAEBO-UHFFFAOYSA-N 428.414 5.339 30 20 IKED N#CC1(CCCSc2nc3ccccc3c(=O)n2CCC2=CCCCC2)CCOCC1 537466824 GOCQBZPLBDZNNS-UHFFFAOYSA-N 437.609 5.480 30 20 IKED CCc1nc2ccccc2n1C1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 537928941 MJAFPUAHHBJSCE-GOSISDBHSA-N 447.608 5.862 30 20 IKED CCN(C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccc(C#N)c(Cl)c1 538074042 SFVUQFLMTYLJLA-HNNXBMFYSA-N 449.898 5.355 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 539233164 ORGADCQYVSQGQG-VQTJNVASSA-N 447.604 5.254 30 20 IKED Cc1cccc(CN(Cc2ccco2)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)c1 542955172 COUBKOAZPFJRRA-UHFFFAOYSA-N 429.455 5.019 30 20 IKED CCCc1nc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)no1 543980355 ANQRHUCBUTZWPI-CYBMUJFWSA-N 435.290 5.453 30 20 IKED O=C(c1c(F)cc(C(F)(F)F)cc1F)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 564511593 WRPOFEDPQXYVGN-QMMMGPOBSA-N 444.347 5.479 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)Cc1cnc2ccccc2n1 574057413 NEXIIHRNOBURNH-LJQANCHMSA-N 436.515 5.206 30 20 IKED Cc1ccc(-c2nn(Cc3ccccc3)cc2CN2CCC(C#N)(c3ccccn3)CC2)cc1 574585708 GRNMEZWMUZWHJX-UHFFFAOYSA-N 447.586 5.359 30 20 IKED Cc1nc(COc2ccccc2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cs1 579782586 HEVOIUDXFOTVSA-UHFFFAOYSA-N 442.500 5.342 30 20 IKED CC1(C)CC(=O)c2sc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)nc2C1 588846035 WCXPEOSTCBULLN-UHFFFAOYSA-N 447.585 5.714 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c(OC)c1 589362780 VQKSFNDEKHTEEI-HSZRJFAPSA-N 444.491 5.132 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CC(Cc4cccc(C(F)(F)F)c4)C3)o2)cc1 590423140 KWXOKYDEFJQDAU-UHFFFAOYSA-N 440.421 5.064 30 20 IKED C=CCn1c(SCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)nc2ccccc21 590450312 VOACDCVGZLOEBF-UHFFFAOYSA-N 441.603 5.042 30 20 IKED C=CCn1c(SCc2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccc(Cl)cc1 592562934 ZWKVXPHMLZIQAQ-UHFFFAOYSA-N 444.347 5.780 30 20 IKED Cc1nn(-c2ccccc2)c2sc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)cc12 592975517 ILACGBYCMGUQNJ-INIZCTEOSA-N 432.505 5.634 30 20 IKED C=CCOc1ccccc1CNC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 599818471 SFJWBQKNWZOKBE-UHFFFAOYSA-N 440.499 5.109 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)o1 603964248 LKNCQOBULQUXPP-KRWDZBQOSA-N 438.886 5.370 30 20 IKED C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 606175025 YKIHEWGNKOCTTR-SWHYSGLUSA-N 449.357 5.910 30 20 IKED O=C(Nc1ccc(F)cc1OCC1CC1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 607219493 VOUZJELMYXJURD-TXEJJXNPSA-N 428.348 5.209 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1 608915394 LWCQKECASVYOGF-UHFFFAOYSA-N 426.492 5.326 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](c1nc(C2CC2)no1)C(C)C 609080131 QHFGFTPLOBWSJE-JOCHJYFZSA-N 445.523 5.225 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NC[C@H]3CCN(CCc4ccccc4)C3)c2)cc1 609208681 FMPCQRRCWGLQJA-HSZRJFAPSA-N 440.547 5.037 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc(OC[C@H]4CCCO4)c3)cc2)cc1 609499969 AGNMKPICQNMQEF-RUZDIDTESA-N 428.488 5.355 30 20 IKED Cc1ccc(Br)cc1NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 609554249 ZEFXTGBNEXETNG-UHFFFAOYSA-N 428.330 5.141 30 20 IKED N#CCCn1ccc(NC(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)n1 609788301 FEJGKDQRKTUSIT-UHFFFAOYSA-N 431.348 5.648 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(Oc4cnccn4)c3)cc2Cl)cc1 609906656 HUQDHCSEUWEVQC-UHFFFAOYSA-N 442.862 5.839 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCCN(C4CCCC4)CC3)cc2Cl)cc1 610016162 IMFGVNKGLNNESY-UHFFFAOYSA-N 438.959 5.486 30 20 IKED COCCN(CCC#N)C(=O)Nc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1 610560106 VQTYHTGSTQDVCD-UHFFFAOYSA-N 426.275 5.319 30 20 IKED N#CCCn1cc(CNc2cccc(-c3nnc4n3CCCCC4)c2)c(-c2ccccc2)n1 610910424 LRQVILFQEMORIS-UHFFFAOYSA-N 437.551 5.061 30 20 IKED N#Cc1cc(Cl)c(C(=O)NCc2nc(-c3cc4ccccc4o3)cs2)c(Cl)c1 614072302 KRMMPFXGDJUJEI-UHFFFAOYSA-N 428.300 5.665 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)c(Cl)c1 614075190 KFXCSHNGERSEOU-UHFFFAOYSA-N 427.675 5.428 30 20 IKED N#Cc1ccc(CN2CCCN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC2)cc1 619516203 WFAXGIGLZCRENU-UHFFFAOYSA-N 443.551 5.081 30 20 IKED O=C(CCc1ccccc1F)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622516832 RJWNJFPTIHQBNB-SFHVURJKSA-N 449.366 5.396 30 20 IKED C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 669809540 ZHSXFEOKGGVCIC-ZWKOTPCHSA-N 447.514 5.268 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 669817495 IRYTZBVLLBMERT-INIZCTEOSA-N 449.942 5.318 30 20 IKED O=C(c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F)N1CCC(C(F)F)CC1 675940453 BOVVRJZKGIUZSU-UHFFFAOYSA-N 441.322 5.027 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 678204371 BQIXGEVBALJJLC-SDDRHHMPSA-N 440.281 5.201 30 20 IKED COc1cc(NC(=S)Nc2ccc(C#N)c(Cl)c2)ccc1NC(=O)OC(C)(C)C 726465569 JLBKRFKFBGYUBF-UHFFFAOYSA-N 432.933 5.376 30 20 IKED COCCn1c(C)c(C)c2cc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)ccc21 728766746 ISVAYZLQPPSIFC-QHCPKHFHSA-N 439.515 5.019 30 20 IKED CCCOc1cn(-c2ccccc2)nc1C(=O)[C@@H](C#N)C(=O)Nc1ccc([C@H](C)CC)cc1 728767064 UEGGMVFORWQFAX-XMSQKQJNSA-N 444.535 5.136 30 20 IKED C=CCN(CCc1ccccc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 729580402 VRDRIVSACYKGCP-UHFFFAOYSA-N 435.568 5.637 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)c1nc(-c2c(F)cccc2F)cs1 731290982 RJHDMDYWESTALL-GUDVDZBRSA-N 430.479 6.221 30 20 IKED C=CCSc1ccccc1NC(=O)CN1CCC([C@H](O)c2ccc(Cl)cc2)CC1 731484860 TYVUYTHMSKEGHB-HSZRJFAPSA-N 431.001 5.002 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@H](C)Oc2ccccc2Br)cc1 732901432 RPFNFMZDVOERFT-RLFYNMQTSA-N 443.341 5.077 30 20 IKED FC(F)Oc1cccc(Cl)c1C=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1 733079949 NIBUXLZDPRLHBN-UHFFFAOYSA-N 443.763 5.258 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1 733786329 FPKNYGIMUBNFTK-FQEVSTJZSA-N 432.907 5.182 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 739512303 SRNWNQQOIWCACN-IBGZPJMESA-N 436.265 5.265 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 741556730 WFNBCHRCPRMFIX-UHFFFAOYSA-N 439.519 5.074 30 20 IKED COc1ccc(/C=C\C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(OC)c1OC 750916476 MWXLLJXQXXLGMT-XQRVVYSFSA-N 434.332 5.646 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](c2ccccc2)c2cccc(F)c2)ccc1OC 756029260 CKBABTAUCKLNEN-RCZVLFRGSA-N 447.510 5.104 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1ccc(F)c(F)c1)C(=O)Nc1ccccc1Oc1ccccc1 756232511 AZPCSEYITGCPEL-SFHVURJKSA-N 448.425 5.068 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)cc1C 757813540 GUKGSOHLMXQCIC-HSZRJFAPSA-N 440.547 5.257 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)cc1 758332669 FUJGMTOPWBPIRV-QHCPKHFHSA-N 440.568 6.027 30 20 IKED N#C[C@@H](C(=O)[C@@H](OC1CCOCC1)c1ccccc1)c1nc2cc(Cl)ccc2s1 759223456 UVOAHINUDDXKCG-UWJYYQICSA-N 426.925 5.063 30 20 IKED C[C@H](ON=CC(=O)Nc1ccc(F)cc1F)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 760434612 KMLQNQFHTGCBLM-VIFPVBQESA-N 441.221 5.024 30 20 IKED Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C\c3ccc(F)c(C#N)c3Cl)s2)cc1 761475839 GKSUBTVXJCAURG-OVCLIPMQSA-N 447.322 5.178 30 20 IKED COc1ccc(C[C@@H](C)CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 761837967 FRELAUOZHXPZPA-FQRUVTKNSA-N 427.548 5.693 30 20 IKED C=CCn1c(-c2cccc(OC)c2)nn(CN(Cc2ccc(C#N)cc2)C(C)C)c1=S 764930699 BYECTWNDFMOOTH-UHFFFAOYSA-N 433.581 5.015 30 20 IKED C=CCc1ccc(OCC(=O)N(c2ccc(N(C)C)cc2)[C@@H](C)c2ccccn2)c(OC)c1 766582206 CFWOQSSNEQTBDC-FQEVSTJZSA-N 445.563 5.058 30 20 IKED Cc1cn(-c2ccccc2Cl)nc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 766623881 UQUYERVGORWHBW-ZDUSSCGKSA-N 447.709 5.102 30 20 IKED COc1ccccc1Nc1nn(CN2CC=C(c3ccc(C#N)cc3)CC2)c(=S)s1 767986839 MZPLXZMAMJQYJW-UHFFFAOYSA-N 435.578 5.045 30 20 IKED C=CC[C@H](NC(=O)N(Cc1ccccc1Br)C1CCCC1)c1ccncc1 769106615 CBXXGJPNTNMCLO-NRFANRHFSA-N 428.374 5.616 30 20 IKED CN(Cc1cccc(NCc2cn(CCC#N)nc2-c2ccccc2)c1)C(=O)OC(C)(C)C 770528915 DHUVYQBVWWKUGA-UHFFFAOYSA-N 445.567 5.443 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)OC[C@H](C#N)Cc1cccs1 772731236 BZQRMDHJAWGISA-AWEZNQCLSA-N 444.965 5.563 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cccn1[C@H](C)Cc1ccccc1 773769780 LBFDXCXIZOLQOA-MJGOQNOKSA-N 449.938 5.223 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)ccc1OC 777243813 VDIYETNQUUWDDY-MOUTVQLLSA-N 447.579 5.244 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)c2c1N(C(=O)c1ccc(Cl)c(C#N)c1)CCC2 777779664 ODNJHYUWGDLATQ-UHFFFAOYSA-N 425.916 5.460 30 20 IKED C=CC[C@@H](C(=O)OCc1csc(N(C(C)=O)c2cccc(C)c2C)n1)c1ccccc1 778416699 BENWEXQJSYPRDY-JOCHJYFZSA-N 434.561 5.848 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 780160450 ROJBZVNHJVHXHO-KRWDZBQOSA-N 428.517 5.170 30 20 IKED CC(C)(C#N)c1ccccc1COC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781257090 JFUVXNPXNOBMNZ-UHFFFAOYSA-N 432.426 5.118 30 20 IKED CCn1cc(C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c2ccccc21 787050370 CROXJIPBCOOMCF-SUMWQHHRSA-N 428.319 5.168 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\C(=O)c3cc([N+](=O)[O-])ccc3C2(C)C)cs1 788362140 JWCIGECTZHADLF-SRZZPIQSSA-N 447.516 5.602 30 20 IKED Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)sc2ccc(C#N)cc12 796625043 XZGZWGLNVARUNN-LBPRGKRZSA-N 432.423 5.284 30 20 IKED COc1cc(C(=O)OCCCC2(C#N)CCOCC2)ccc1OCc1ccccc1Cl 800076584 RYMYUTUGAGWXEM-UHFFFAOYSA-N 443.927 5.185 30 20 IKED N#Cc1sc(Sc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)nc1Cl 804558646 PIPLYAYZERQYHR-UHFFFAOYSA-N 434.333 5.373 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNCc2ccc(C#N)cc2C(F)(F)F)cc1 810148923 RHQGRPFTSQVWSZ-OAHLLOKOSA-N 433.474 5.453 30 20 IKED Cc1cc(C(F)(F)F)nn1CC(=O)O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 810603353 UHOOHKPRZJMBOB-ZDUSSCGKSA-N 434.258 5.076 30 20 IKED N#C[C@H](C(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1cc(C(F)(F)F)ccn1 813219035 VMQIHUWXMMBHTI-KKSFZXQISA-N 432.348 5.375 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1 814635596 GPBSBOBLDLRIFJ-GLYQVZKVSA-N 431.561 5.535 30 20 IKED C[C@H](SC1=NC(=O)/C(=C\c2csc3ccccc23)S1)C(=O)Nc1cccc(C#N)c1 814774457 ZXEDQLDKQYGJMA-UZPSYVQNSA-N 449.582 5.504 30 20 IKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@H](C)c3ccccn3)C2=O)cc1 837517048 JLLWRUPOIYUTLL-GCJKJVERSA-N 444.560 5.112 30 20 IKED C[C@H](Oc1ccc(Cl)cc1Br)C(=O)[C@@H](C#N)c1ccc2ccccc2n1 916848086 ANYSAALINJBWJT-WFASDCNBSA-N 429.701 5.294 30 20 IKED Cc1cc(Cl)ccc1O[C@H](C)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916883017 FFYDCHNWJRTHMG-MLGOLLRUSA-N 438.883 5.078 30 20 IKED C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12 916917404 GTLVOHQJCLOWMI-GUYCJALGSA-N 427.287 5.261 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C3SCCCS3)cc2)cc1 916955628 SJBPIUAWFSWZLP-HRAATJIYSA-N 438.618 6.030 30 20 IKED Cc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cs2)cc1 916976462 OTPOTTCKJWFHNQ-LJQANCHMSA-N 449.988 6.314 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)cc1 918566667 XVFCPFVQXYEFAG-RBZQAINGSA-N 449.579 6.640 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2occc2CSc2ccccc2)cc1 927811842 HHWJIIUNBJIRAL-LJQANCHMSA-N 448.544 5.373 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)c(F)c3)CCC2)cc1 1785936724 UEYFZCXMVXWIJB-UHFFFAOYSA-N 447.432 5.142 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3ccc4cnccc4c3)CCC2)cc1)C(F)(F)F 1791303371 VCRXVNWIQMOEPK-UHFFFAOYSA-N 439.437 5.101 30 20 IKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2cccc(Cl)c2)CCCC1 1802189594 QDQPLJRQPIFRSF-MVWVFHAYSA-N 429.004 5.002 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3sccn3c2)[nH]n1 1814441753 FWMLOYJCILRYJW-GOSISDBHSA-N 439.585 5.022 30 20 IKED CC1=CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)CC1 1818810499 VFIQPFXSRZKRGZ-SFYKDHMMSA-N 445.567 5.089 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccccc2Cl)[nH]n1 1819305546 VUSWISKKUWFFLH-RXVVDRJESA-N 440.975 5.066 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](c3ccccc3)[C@H](C)CC)CC2)C1 1823700735 HROCHCRSIJBMKF-QGDZQMKYSA-N 436.640 5.402 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCc2ccncc2)CC1 1823750630 COXKSTURPKKXRI-XMMPIXPASA-N 439.644 5.016 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3ncccc3c2)CC1 1828032968 PWDXHZLEWGRYCR-AOYPEHQESA-N 445.607 5.237 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 1829071291 RYMMEYXPVVUDRC-ISJGIBHGSA-N 436.640 5.402 30 20 IKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1832633676 MMILRDHERMKXES-HFZDXXHNSA-N 443.591 5.169 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cc3c(Cl)cccc3s1)C2 1844201996 IQDMSAJAVFDODZ-MRXNPFEDSA-N 428.985 5.140 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)s1)=C(/S)Nc1ccc(F)c(Cl)c1 22800357 XJMUJPDMQPIUBO-UHFFFAOYSA-O 433.981 5.750 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2cccc(Cl)c2C)cc1 23603496 OKAQITMMQYHJIE-UHFFFAOYSA-O 441.020 5.884 30 20 IKED COc1cc(C(=O)Nc2cccc(C#Cc3cccs3)c2)ccc1OCc1cscn1 29824190 JEQVJLLBZFTQRV-UHFFFAOYSA-N 446.553 5.444 30 20 IKED C=CCN(C(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1)c1nc2c(s1)CCCC2 31740210 UJPUOOSODOQNNW-UHFFFAOYSA-N 449.551 5.555 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C(=O)Nc1cccc(C)c1C)C(C)C 32785423 CTLKITBWEOTMPP-QHCPKHFHSA-N 434.609 5.427 30 20 IKED CCOCCOc1c(Cl)cccc1NC(=O)c1ccc(COc2ccccc2C#N)o1 62918391 VMTXKUTYCVJQQW-UHFFFAOYSA-N 440.883 5.051 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1sc(NC(=O)C(C)(C)C)cc1C 72025321 OFEHCMAZBTVWEP-UHFFFAOYSA-N 447.560 6.266 30 20 IKED C[C@H](Nc1ccc(CC#N)cc1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 98081356 QAOZUXSEDMNWPZ-AOMKIAJQSA-N 432.911 5.177 30 20 IKED Cc1ccc(-n2ncc(C(=O)Nc3sc4c(c3C#N)CCCC4)c2C(F)(F)F)cc1 105325837 BXGXQCCBSMBQOR-UHFFFAOYSA-N 430.455 5.264 30 20 IKED Cc1ccc(OCc2nnc(S[C@@H](C)C(=O)/C=C3\N(C)c4ccccc4C3(C)C)o2)cc1 214016170 DJWSQOJYFYTEIA-CPEHUTGBSA-N 449.576 5.318 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2ccc(Br)cc2)cc1 303305020 DKGWOIOTOIZLGE-HNNXBMFYSA-N 433.371 5.275 30 20 IKED C=CCN(C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl)c1nc(C(=O)OCC)cs1 409870799 OXLJDBJIPWSUDH-GFCCVEGCSA-N 427.353 5.024 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)c1cc(Cl)ccc1Cl 426839150 YYMVGWBIQUMUDI-QWHCGFSZSA-N 436.364 5.204 30 20 IKED CCCc1c(NC(=O)N2CCC(c3ncccc3Cl)CC2)cnn1-c1cccc(C#N)c1 429628343 GJYXXYLEDLYWQK-UHFFFAOYSA-N 448.958 5.156 30 20 IKED N#CCSc1cccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)c1 429860808 QBOUKDRMXIPEQD-LJQANCHMSA-N 448.375 5.242 30 20 IKED Cc1ccc(C)c(NC(=O)Cc2nc(CN3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cs2)c1 430710706 TYVSOBLKWNUFGE-LADGPHEKSA-N 444.604 5.213 30 20 IKED Cc1ccccc1[C@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)C(C)(C)C 431647906 GDPINDHVLOUGRQ-QHCPKHFHSA-N 432.568 5.014 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccccc1 432847887 WLUDSAGQIGHUND-QGZVFWFLSA-N 429.402 5.312 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3NCc3cccnc3)cc2)c1 434078845 LKPITHVGIXRCBR-UHFFFAOYSA-N 434.499 5.397 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 437742996 ARSVFPGLXZAUPY-PMACEKPBSA-N 449.448 5.407 30 20 IKED C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 438039496 QESFNXKMFQXJHP-MSOLQXFVSA-N 443.016 5.645 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](C)Oc1cccc(Br)c1 438051391 OTZFXZNSXZITSL-CABCVRRESA-N 448.386 5.432 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1cccc(CSC2CCCC2)c1 439590769 DEIXKNNWTLJPQX-IBGZPJMESA-N 437.609 5.618 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Nc1ccc(Oc2ccc(Cl)cn2)cc1 439638234 IJNZALRIEZRYHA-MRXNPFEDSA-N 427.957 5.604 30 20 IKED N#Cc1ccc(Cl)c(NC(=O)C(=O)Nc2cccc(OCc3ccc(Cl)cc3)c2)c1 440303771 NGMBXJWXXQNKEI-UHFFFAOYSA-N 440.286 5.021 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N(Cc3ccc(F)cc3)CC(F)(F)F)o2)cc1 460473180 PSVNHTSXYOKWOH-UHFFFAOYSA-N 432.373 5.074 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC2(CCOCC2)[C@@H]1C 460573824 DCARRBNURFSCEJ-ROUUACIJSA-N 430.980 5.043 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H]1c1ccc(C)s1 460784289 RKYRFZGIBPJFBW-XJUOHMSHSA-N 434.609 5.811 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(CCN(C)C)cc1 466428683 PRNWCZFSFJLSMD-UHFFFAOYSA-N 428.536 5.085 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CSc2cccc(C#N)c2)cs1 468646564 FHQWZBWRZDODOY-UHFFFAOYSA-N 433.480 6.010 30 20 IKED COc1cc(F)c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1OC 470477389 NXQNDGZDZUNEFJ-UHFFFAOYSA-N 428.407 5.120 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(Cl)cc1C(F)(F)F 471724071 HKUDZPKJKALMHL-UHFFFAOYSA-N 431.801 5.979 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 473778193 JZFFMMCLWBSCLY-JOCHJYFZSA-N 429.911 5.338 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2nn(C(C)C)cc2C#N)cc1 475074625 LSBTXZITLKTFPU-UHFFFAOYSA-N 427.508 5.064 30 20 IKED COc1ccc(CNc2ccc(-c3csc(C(F)(F)F)n3)cc2)cc1OCCCC#N 475487796 RXTONQYTNDGMHY-UHFFFAOYSA-N 447.482 6.132 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)Cc1ccc(OC(F)F)c(OCC)c1 475552525 ZPURJLPTCJGNGU-UHFFFAOYSA-N 432.511 6.203 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 476120926 FLQXUUXZHIDUPK-UHFFFAOYSA-N 440.609 5.356 30 20 IKED N#Cc1ccc(C[S@@](=O)Cc2csc(-c3ccc(Br)cc3)n2)cc1F 478362195 PIPNURFIGGKSDR-RUZDIDTESA-N 435.343 5.032 30 20 IKED O=C(NCc1ccc(F)cn1)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F 478724872 SXJHDJAXYIDIMJ-UHFFFAOYSA-N 427.345 5.216 30 20 IKED C=C(C)[C@H](NC(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1)c1ccc(F)c(F)c1 480578016 JPYCEGORNISAQG-FQEVSTJZSA-N 436.524 5.117 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3ccc(Oc4ccc(F)c(F)c4)cc3)CC2)c1 484232163 KCUUIVBHRXNACR-UHFFFAOYSA-N 434.442 5.312 30 20 IKED CCOC(=O)c1nc(-c2ccccc2)oc1CSc1nc(C(F)(F)F)ccc1C#N 488759026 CHMKTPKFZSESDE-UHFFFAOYSA-N 433.411 5.096 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C(=O)Nc3ccc(OC)cc3)C(C)C)o2)cc1 489815170 XEDWLGGWMUHDBJ-FQEVSTJZSA-N 439.537 5.065 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc3c(c2)CCCC(=O)N3)cc1 491446839 XMJSTLNDIPKAAR-UHFFFAOYSA-N 442.494 5.206 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)cc1Cl 492884307 BHBGJXUBSSPCTE-UHFFFAOYSA-N 435.842 5.280 30 20 IKED Cc1cc(C2CCN(C(=O)c3cccc(SCC#N)c3)CC2)ccc1Br 494146885 WHHCHEXEBYVCCW-UHFFFAOYSA-N 429.383 5.393 30 20 IKED C[C@@H](NC(=O)Nc1nc(C2CCOCC2)cs1)c1ccc(-c2cccc(C#N)c2)cc1 494301695 QXIIVBFBIIDTRR-MRXNPFEDSA-N 432.549 5.458 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Nc1cccc(OCc2cccc(C#N)c2)c1 495531128 QHQKGDSYBBIBRA-IBGZPJMESA-N 431.561 5.214 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(-n4nccc4C(F)(F)F)cc3)CC2)cc1 503640998 BFZXLJWOUBOJRP-UHFFFAOYSA-N 437.425 5.084 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn23)C1 505036568 XTPUZAPGYYFCIR-KRWDZBQOSA-N 443.473 5.278 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)c1 505504549 AORALILUWBKZHK-KRWDZBQOSA-N 438.742 5.626 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Cl)c(OC(F)F)c2)cc1C 505662518 OVVLKDVQYQDTAC-UHFFFAOYSA-N 444.869 5.588 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)cc1 508133738 RUFKHHCTRVIPLT-UHFFFAOYSA-N 443.425 5.133 30 20 IKED N#CC1CCC(CNC(=O)[C@@H](Oc2ccc(Br)cc2F)c2ccccc2)CC1 508366540 GWQYFKQLUBFHHV-BUNACBEFSA-N 445.332 5.154 30 20 IKED COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 510023302 JVUDQXCIRFAMEJ-AOMKIAJQSA-N 449.938 5.895 30 20 IKED COc1ccccc1-c1cccc(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1 510106721 UJZDIRDTNWUKGM-UHFFFAOYSA-N 442.519 5.141 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1 511464778 OVOYQRNPUXETMB-UHFFFAOYSA-N 426.948 5.042 30 20 IKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1ccc(OCC(F)(F)C(F)F)nc1 511543351 SLZMMGIYAJPILH-LLVKDONJSA-N 438.343 5.213 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C 511580989 YKHJGZTZEFKGRI-DEOSSOPVSA-N 427.504 5.052 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2cn(CCOc3ccccc3Cl)c3ccccc23)n1 511868815 RRDMXXWEUHWBFQ-QGZVFWFLSA-N 435.936 5.629 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc(OC)c1C(C)C 512731387 RYDKQJIWLLBMAG-CQSZACIVSA-N 442.487 5.719 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)nc2ccccc21 513682422 VFYWOJZHAVGWEW-IBGZPJMESA-N 443.938 5.171 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)c1 513706575 SBFWRJCOWXQFLF-HXUWFJFHSA-N 436.298 5.439 30 20 IKED Cc1noc(CSc2ccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)n1 515547119 NWXFJPIGEGJILD-OAHLLOKOSA-N 440.937 5.424 30 20 IKED N#C[C@H](C(=O)c1ccc(Sc2ccccn2)cc1)c1nc(-c2c(F)cccc2F)cs1 517277677 KSQYQGFGWLWLGM-MRXNPFEDSA-N 449.507 6.125 30 20 IKED CC(C)OC(=O)C[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1 518256541 ZFHTUNCOIHQGEO-PXNSSMCTSA-N 425.554 5.285 30 20 IKED C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 518722863 SXSSUQOPGKYNKR-INIZCTEOSA-N 449.605 5.535 30 20 IKED C=CCCO[C@@H](C)C(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCCCC1 519069620 NQYLJLGVOXIEGZ-SFHVURJKSA-N 426.582 5.269 30 20 IKED CC(C)[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc2c(c1)OCCO2 520195627 FXVIHMKTPJTUHJ-KSFYIVLOSA-N 425.554 5.371 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H](c2ccccc2)[C@@H]2CCCO2)cc1OCC 520217723 DVBWDBYBQWFGCX-UNMCSNQZSA-N 446.385 5.423 30 20 IKED COc1ccc(COCCCNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 520601484 UGBPLBJDUSVDAO-UHFFFAOYSA-N 431.492 5.088 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCCOc1ccc(Cl)cc1Cl 520941276 ILVFCALMKROLLT-AWEZNQCLSA-N 438.380 5.978 30 20 IKED CCCOc1c(Cl)cc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1OC 521016128 KBZHISWTPUPSNU-MRXNPFEDSA-N 426.822 5.151 30 20 IKED COC(=O)c1ccc(OC(C)C)c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 521114826 LKUPWONBUJNWPM-UHFFFAOYSA-N 444.487 5.371 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cc(Cl)c2c(c1)OCCCO2 521259528 ORWZONYEHLINPD-AWEZNQCLSA-N 431.945 5.075 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)NCc1cc(Br)ccc1OC(F)F 523686985 RRNDJMVOOHTYFO-UHFFFAOYSA-N 443.263 5.087 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](Cc2ccccc2)c2cccs2)cc1 523985373 DXVWUFDLLAFXHI-HSZRJFAPSA-N 445.588 5.668 30 20 IKED CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 531775350 XVMTWHRPQTUMAJ-CTNGQTDRSA-N 448.958 5.367 30 20 IKED N#Cc1cn(Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)c2ccc(Cl)cc2c1=O 534427101 BOASZMZCRMYHDD-UHFFFAOYSA-N 429.785 5.249 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCSCC(F)(F)F)cc1Cl 535789129 BFHSBXXHZJUKNB-MRXNPFEDSA-N 427.879 5.412 30 20 IKED COCCOc1c(Cl)cc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1Cl 536919214 CFLJBLJYQKWFSE-UHFFFAOYSA-N 436.339 5.333 30 20 IKED Cc1nc([C@H](NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c2ccc(Cl)cc2)no1 537792495 PIRLONTYCGPPST-JOCHJYFZSA-N 443.894 5.166 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 542042975 HBKUYQBWVBHRHM-ZDUSSCGKSA-N 445.466 6.173 30 20 IKED N#CCCn1cc(CNCCc2c[nH]c3ccc(Br)cc23)c(-c2ccccc2)n1 542316290 NTNLHXCKRHKWMM-UHFFFAOYSA-N 448.368 5.040 30 20 IKED C[C@@H](N[C@H](C)c1nnc(-c2cccc(Cl)c2)o1)c1ccc(-c2cccc(C#N)c2)cc1 542947166 UAZXCNWUARRTOP-IAGOWNOFSA-N 428.923 6.340 30 20 IKED C[C@@H](NC(=O)NCc1coc(-c2cccs2)n1)c1ccc(-c2cccc(C#N)c2)cc1 543018613 VTGACPZMBOTWAJ-MRXNPFEDSA-N 428.517 5.502 30 20 IKED COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2CCC(=O)Nc2sccc2C#N)c1 543190813 XEUWZGFDAJBCDP-ISKFKSNPSA-N 431.561 5.188 30 20 IKED CC(C)(CCC#N)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1 554792416 NRAFHQWGIGTPDE-XWGVYQGASA-N 431.580 5.059 30 20 IKED COc1ccccc1SC[C@H](C)CNC(=O)Nc1ccccc1S[C@@H](C)CC#N 561408732 SVCRTTRXCHJBJT-SJORKVTESA-N 429.611 5.639 30 20 IKED CCCN(C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H](C)c1cc2ccccc2o1 563721019 HGGIDANMOMWILC-ZWKOTPCHSA-N 449.576 5.765 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2nnc(C3CCOCC3)s2)cc1Cl 564364550 PRNUPCHGRPIBFE-UHFFFAOYSA-N 440.912 5.002 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(-c3nncs3)cc2)c1 565744400 VIUCVLRCVBEWDW-UHFFFAOYSA-N 432.892 5.775 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Sc2ccc(OC)cc2)cc1 568677410 VLDDRPWNPDKTRH-UHFFFAOYSA-N 438.549 5.542 30 20 IKED COc1ccc(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)c(C(F)(F)F)c1 572188820 FUOZTHJSDMXIII-UHFFFAOYSA-N 433.430 5.097 30 20 IKED N#Cc1ccccc1COc1cccc(CN(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1 574725986 KDHXJQVZMUJTDX-XUZZJYLKSA-N 430.573 5.138 30 20 IKED C[C@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)N[C@H](C)c1cc2ccccc2o1 576038506 XUEQMIVHOQITGK-SJORKVTESA-N 426.476 5.170 30 20 IKED COc1cccc(COc2cccc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)c2C)c1 576579462 IZOZNDHSCMPOQY-UHFFFAOYSA-N 439.471 5.362 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(F)c(CN(C)C)c1 579396634 FZUADBGPHFVIRM-UHFFFAOYSA-N 432.499 5.181 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCc2cccc(Br)c2C1 581274789 HAXQMEFVGRWGAJ-CQSZACIVSA-N 430.371 5.434 30 20 IKED N#Cc1cc(NCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)ccc1Cl 585725646 ZPLCQZKPBMXGQO-KRWDZBQOSA-N 426.954 5.124 30 20 IKED Cc1ccc(-c2cc(C(=O)Nc3sc(C)c(C)c3C#N)c3cnn(C(C)C)c3n2)s1 590613274 DTFYJFCKBPFOGC-UHFFFAOYSA-N 435.578 5.851 30 20 IKED Cc1cc(-c2cc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)c3c(C)noc3n2)c(C)s1 603527182 DSAZMOIQNGVEJW-UHFFFAOYSA-N 444.560 5.799 30 20 IKED C=CCN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603750983 ZYPXFSKFRJFWMC-CABCVRRESA-N 439.459 5.606 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ccc(COc2ccccc2C#N)o1 603872030 QJRQUJNRTVPSKN-HNNXBMFYSA-N 428.410 5.582 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccccc3F)C2)cc1Cl 608994700 QHMQHVTVQFYNRW-URXFXBBRSA-N 449.913 5.740 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(CSc4ccccn4)c3)o2)cc1 609059151 BSKFYFBYDRMQPY-UHFFFAOYSA-N 441.512 5.670 30 20 IKED Cc1csc(Sc2ccc(NC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)c(C)c2)n1 609099576 JEESBIDWIMXXHO-OAQYLSRUSA-N 434.590 5.390 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1Cl 609163327 HTUKAZBGGRAOAK-SFHVURJKSA-N 426.259 5.809 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccccc2OCCn2ccnc2)cc1 609298428 XPUIPLWIDOKNCW-UHFFFAOYSA-N 442.450 5.017 30 20 IKED Cc1nc(CCC(=O)N(C)c2ccc(C#N)cc2F)oc1-c1ccc(Br)cc1 609298690 PUWXODYLPITQBA-UHFFFAOYSA-N 442.288 5.019 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 609358432 PWQATRNWSSJBBV-UHFFFAOYSA-N 432.471 5.438 30 20 IKED C[C@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 610162962 AJQZSHUARZUDTM-MBSDFSHPSA-N 433.939 5.410 30 20 IKED N#Cc1cccc(-c2nnc(CSc3nnc(-c4ccccc4)c(-c4ccccc4)n3)o2)c1 610218944 GNGQUZOHBGIWPN-UHFFFAOYSA-N 448.511 5.420 30 20 IKED COc1cc2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)[nH]c2c(OC)c1OC 613318991 LZSJASDWQGQVEF-INIZCTEOSA-N 447.516 5.116 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 615714246 KDDAQGSQXHGQNW-FQEVSTJZSA-N 431.536 5.128 30 20 IKED CC(C)Oc1ccc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(F)c1 623022470 QTLIJRQNNYIDBY-GHMZBOCLSA-N 430.364 5.644 30 20 IKED CC(C)(NC(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cc(C(F)(F)F)on1 645003618 VABKEPMGBBAKPS-UHFFFAOYSA-N 431.283 5.404 30 20 IKED C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CCC(F)(F)CC1 669813339 OALRQSLTAROROW-UHFFFAOYSA-N 428.458 5.085 30 20 IKED Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1csc(-c2cccs2)n1 728427278 ASHIPKPPWWTLED-UHFFFAOYSA-N 438.390 5.608 30 20 IKED Cn1c([C@@H](C#N)C(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)nc2ccccc21 730394589 ICHOEWBAUZLTML-GAJHUEQPSA-N 449.938 6.076 30 20 IKED N#C[C@H](C(=O)c1csc(COc2ccc(F)cc2)n1)c1nc2cc(F)ccc2s1 730420977 IXDXNXGWGFZKTF-CQSZACIVSA-N 427.457 5.100 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2cccc(OCc3ccccc3C#N)c2)S1 731318727 KBSVTFGWSQVCOW-UCQKPKSFSA-N 439.540 5.646 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)ccc1OC 733657875 PEFBSHZLQYIUAP-KSSFIOAISA-N 448.350 5.170 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ccccc2-c2ccc(Cl)cc2)c1 733801450 OMKUCUJYGPPKQJ-JOCHJYFZSA-N 433.939 5.687 30 20 IKED C[C@@H](SC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1)c1ccc(C#N)cc1 735618206 IPSHPUWPSMPIRP-XMSCMFJESA-N 427.504 5.935 30 20 IKED C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 739155468 QOAKSCQPWRHNTF-XHDPSFHLSA-N 426.797 5.024 30 20 IKED CCCC(=O)Nc1ccc(CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 740032621 ZJTCNXVSWIYLPF-UHFFFAOYSA-N 432.549 5.025 30 20 IKED CCN(CC)C(=O)Nc1ccc(C(C)=NNc2c(F)cc(F)cc2Br)cc1 741771044 GBUQXPDYFIICDE-UHFFFAOYSA-N 439.304 5.437 30 20 IKED CN(C[C@H]1CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(=O)OC(C)(C)C 743093220 PELCNTVNIIWTGM-DHIUTWEWSA-N 448.567 5.205 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Nc3cccc(Oc4ccccn4)c3)c2)s1 743239876 IPHDXOHNWALHLF-UHFFFAOYSA-N 426.501 5.796 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)c3ccc(NC(=O)OCC(F)(F)F)cc3)c2C#N)C1 744350244 FEZVPPRYIJQGAY-NSHDSACASA-N 437.443 5.108 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3sccc3-c3ccc(F)cc3)n2)cc1 744944128 POOHYZKIDNZTMU-LJQANCHMSA-N 434.517 6.176 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(CCc2ccc(C)cc2)Cc2ccco2)c1 745820190 IHZNLLAOPWMXHF-HSZRJFAPSA-N 431.536 5.224 30 20 IKED COc1ccc(N2C/C(=C\c3cc(C#N)cs3)C(=O)/C(=C/c3cc(C#N)cs3)C2)cc1 748440576 NXHXSYCOLCVVBU-GCBPPVMSSA-N 443.553 5.118 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)cc1 750999224 YCWBTXFJPVZQFC-FPOVZHCZSA-N 433.533 5.532 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)cc1 752183178 CLSNVYAOCRATNP-YADHBBJMSA-N 431.923 5.681 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)C[C@@H](O)c1cccs1 752224893 QJUCLTFGDNKSOP-VGOFRKELSA-N 435.549 5.141 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2C)c1 754470560 MMOFHEXUQHBKMF-IBGZPJMESA-N 438.528 5.345 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 763010884 JTHNNAYGPUNREB-HSZRJFAPSA-N 425.488 5.169 30 20 IKED Cc1cn(-c2ccc(C#N)cn2)nc1NCc1c(C(C)C)nn(Cc2ccccc2)c1Cl 763481397 SSQFHOCFICVWIS-UHFFFAOYSA-N 445.958 5.081 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)c1=S 765041157 XYQOQQVZJHFEOP-OFNKIYASSA-N 449.624 5.089 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(O)(c2ccccc2Cl)CC1 765282607 WBBNASMNEZSGSR-MRXNPFEDSA-N 429.973 5.107 30 20 IKED CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 765589696 FQYVWTOHXPPKAB-XJKSGUPXSA-N 447.438 5.668 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 768166823 BZGNKLPFDDDDCP-OAQYLSRUSA-N 431.473 5.016 30 20 IKED Cc1cccc(-c2cncc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c2)c1 768764026 UFKVLIQVVFOKTD-DEOSSOPVSA-N 447.494 5.811 30 20 IKED N#C[C@@H](C(=O)Cc1ccn(-c2ccc(F)cc2)n1)c1nc(-c2ccc(Cl)cc2)cs1 768764804 FQGFYHKQOGYHOQ-IBGZPJMESA-N 436.899 5.207 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)c1 772647189 WGBWMHYDDYSSJW-IBGZPJMESA-N 436.870 5.506 30 20 IKED COc1ccc(Cl)cc1[C@H](CC(C)C)NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 775454077 JPSQHFSYCZEUGQ-FPOVZHCZSA-N 448.954 5.263 30 20 IKED C[C@@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 777178510 XXEWESWVNBZHLY-GFCCVEGCSA-N 436.817 5.098 30 20 IKED C[C@H](NC(=O)CC(C)(C)C)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 778607504 VWDAXULTAYNCQS-SMDDNHRTSA-N 438.380 5.234 30 20 IKED CC(=O)c1ccc(Oc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cc2)cc1 783352776 IDGMWGHMMMJMOF-RUZDIDTESA-N 448.478 5.796 30 20 IKED N#C[C@@H](C(=O)NCc1ccc(F)cc1F)C(=O)c1sc2cccc(Cl)c2c1Cl 786561814 PNRUKEBLUXIVLA-LLVKDONJSA-N 439.270 5.125 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cc(F)ccc3Br)n2)cc1 790766750 FKOAIAWDFBSLCJ-INIZCTEOSA-N 429.314 5.439 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(C(F)(F)F)s1 796797988 KSJCBJXGLHOTTM-CQSZACIVSA-N 430.407 5.520 30 20 IKED C=CCCc1ccccc1NC(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1 800156352 BUNRKZIHGCJLPE-FYWRMAATSA-N 432.520 5.650 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 802041035 OBZYLRIHGKIQTH-WFASDCNBSA-N 433.188 5.370 30 20 IKED C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 804535288 KASYAIIJPXUNRA-WMZHIEFXSA-N 443.522 5.019 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1 806442585 PLVNIGHKUSESCG-UHFFFAOYSA-N 441.576 5.099 30 20 IKED O=C1/C(=C/c2ccc(/C=C3\Cc4nc(Cl)ccc4C3=O)cc2)Cc2nc(Cl)ccc21 806578042 LJWRNNFWAJUBEB-KAVGSWPWSA-N 433.294 5.428 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(CC(C)C)[C@@H](C)c2ccccc2C)ccc1OC 806807186 VTAOLAQWAJLAIU-RBBKRZOGSA-N 437.584 5.613 30 20 IKED C[C@@H]1C/C(=C/c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)N(C)CCC#N)c2C1 843418614 GBIIGBRCGAKUIL-SRIJWZPRSA-N 438.575 5.409 30 20 IKED Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NCc1cc(C#N)ccc1Br 864007716 RIEBSGFHCBSMJU-OAHLLOKOSA-N 426.358 5.113 30 20 IKED O=C(c1sc2cccc(F)c2c1Cl)N1CCC[C@H](C(F)(F)F)[C@@H]1C(F)(F)F 883986410 SQMFSEIOGNCDKP-WPPNPWJKSA-N 433.776 6.039 30 20 IKED Cc1ccc(C(=O)N(O)Cc2cccc3ccccc23)cc1NC(=O)c1ccccc1F 901370897 NPCGDUGPVVIUKH-UHFFFAOYSA-N 428.463 5.571 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1nc2ccccc2s1 915099424 VERXUGSPRGOOCM-WIYYLYMNSA-N 439.540 5.178 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1 918034301 MVVIIKZFOSCODP-UBFVSLLYSA-N 429.495 5.523 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4ccc(Cl)cc4nn3)cc2)CCC1 1788494826 RNZLMRNPLUSJCH-MRXNPFEDSA-N 448.954 5.243 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)Cc3cnc4ccccn34)CCC2)cc1 1789622623 USJDLSFXBVVHBS-UHFFFAOYSA-N 444.579 5.003 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ncccc3C(F)(F)F)cc2)CCC1 1789856265 WENLKKDEEDZZJY-OAHLLOKOSA-N 431.458 5.060 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5occc5c4)CCC3)cc2)cc1 1790289968 GPVMXMJIJFVIMJ-UHFFFAOYSA-N 435.483 5.366 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccccc4)CCC3)cc2)c1 1792122641 PGLMTMNXPNOEOG-HXUWFJFHSA-N 437.543 5.304 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc4ccoc4s3)CC2)C1 1805455216 QEKHHGJLCODNSF-UHFFFAOYSA-N 426.582 5.108 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(Cl)s3)C2)CC1 1806794101 CSVSZGWBMUJBMB-UHFFFAOYSA-N 437.049 5.168 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(OC)c2C)[nH]n1 1814445852 YOLOGLVCPSKPIG-HXUWFJFHSA-N 438.572 5.025 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nc(C(C)C)cs2)n[nH]1 1816058755 GGQVGENTHZTPGP-LJQANCHMSA-N 441.601 5.064 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cc(C)ccc2C)[nH]n1 1819310329 YVDNDVAPGKAWKX-FYYLOGMGSA-N 434.584 5.030 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 1823753907 OMAHOSOXRNMKJL-RUZDIDTESA-N 449.639 5.323 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2C)CC1 1823913132 YXZHMPLIARUIBE-FQEVSTJZSA-N 438.946 5.093 30 20 IKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccccc2)c1C 28793352 RQHWGCPBVKBHHF-UHFFFAOYSA-O 440.976 5.134 30 20 IKED CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)[C@@H](C)Oc2ccccc2C#N)c1 29981640 OJSMZBSIWAJAAA-WOJBJXKFSA-N 441.531 5.074 30 20 IKED CCc1cc(C#N)c(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)s1 59829095 ASNUOWCHWWDLCN-UHFFFAOYSA-N 445.573 5.161 30 20 IKED C=CCN(C(=O)CCNC(=O)C(C)(C)C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 105671149 KENVTYMIFPIPAN-UHFFFAOYSA-N 440.396 5.188 30 20 IKED Cc1ccccc1C1(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCOCC1 303188705 LTQTZJWUFGUTRE-UHFFFAOYSA-N 426.516 5.137 30 20 IKED N#C[C@@H](C(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 303232008 YMMJFHWQFKTDTL-KRWDZBQOSA-N 446.881 6.390 30 20 IKED CN(C(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 409911907 PWIAYFMSDGSNKL-IFMALSPDSA-N 438.453 5.171 30 20 IKED CCCN(C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 429047836 LVMMSMZWDHPTID-SFHVURJKSA-N 426.948 5.200 30 20 IKED Cc1nc(C)n(Cc2cccc(NC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)c2)n1 429068278 CVAZCDIACPMVAF-UHFFFAOYSA-N 438.491 5.251 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)s1 430616462 FNKPQLCFJDCHQF-OAHLLOKOSA-N 433.512 5.046 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(Cn2nc(C#N)c3ccccc32)cs1 432496337 VCGZIAWTINABPX-UHFFFAOYSA-N 441.438 5.116 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccccc1 432623961 SUUAJCBVOSBVGX-LJQANCHMSA-N 430.474 5.862 30 20 IKED C=CCC[C@H](NC(=O)N1CCC(c2ccnn2CC)CC1)c1ccc(C(F)(F)F)cc1 434289572 UZCQPEAUOPUCOQ-FQEVSTJZSA-N 434.506 5.518 30 20 IKED Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)[C@H](C#N)c1nc2ccccc2n1C 435775485 BVAMKBJMAIUTJE-AWEZNQCLSA-N 425.275 5.334 30 20 IKED Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c3c(C)noc3n2)cc1 436356696 BXTHMYWADCMLKM-LADGPHEKSA-N 436.515 5.419 30 20 IKED CC(C)c1cnc(-c2ccc(NC(=O)NC3CCC(Oc4ccccc4C#N)CC3)cc2)o1 438490728 JCHHYTSUWLEPME-UHFFFAOYSA-N 444.535 5.848 30 20 IKED Cc1cc(-c2cc(C(=O)N(C)c3ccc(C#N)cc3)c3cnn(C(C)C)c3n2)c(C)s1 440047173 FIJDYWQFHOXAIN-UHFFFAOYSA-N 429.549 5.506 30 20 IKED COc1ccc(-c2nc3c(s2)[C@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)CCC3)cc1 440213723 GZUFQGRSVAMGLG-RBBKRZOGSA-N 446.576 5.540 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(-c4noc(-c5ccc(F)cc5)n4)cc3)[nH]c12 442729188 IXZIKMNZAAXMKC-IBGZPJMESA-N 437.434 5.218 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)N1CCC(C(F)(F)F)CC1 444027828 DYFUNSYLPWJDEH-CYBMUJFWSA-N 436.318 5.683 30 20 IKED COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1c(F)cc(C#N)cc1F)CCO2 446032764 DJOPFXZFEFJNLE-QFIPXVFZSA-N 434.442 5.011 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cnn(-c3ccccc3F)c2)cc1 446881455 QZZJCLZVRYJNBW-UHFFFAOYSA-N 428.492 5.428 30 20 IKED N#CC1CCN(C(=O)Nc2ccc(-c3nc4cc(Br)ccc4s3)cc2)CC1 448152637 AFNRHSKCMFZZML-UHFFFAOYSA-N 441.354 5.493 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)n1Cc1ccncc1 460371880 WOCPPAPAGGOWCO-QFIPXVFZSA-N 437.528 5.034 30 20 IKED CC(C)c1ccc(-c2noc(CCC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)n2)cc1 464934478 CVOXVMMIPWXVCR-PKTZIBPZSA-N 428.536 5.091 30 20 IKED CC(C)(NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nc(C(F)(F)F)cs1 465323519 YDPDOHDVULUIPH-UHFFFAOYSA-N 445.466 5.278 30 20 IKED CC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1c(C)nn(C)c1C 466292021 YWIMPUPTYAVUCM-UNMCSNQZSA-N 435.959 5.619 30 20 IKED COc1ccc(-c2cncc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c2)cc1 466426114 OVPBTSOGCRIRID-UHFFFAOYSA-N 436.471 5.377 30 20 IKED O=C(NCCC(F)(F)F)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 466463263 GGUMWFRQVOBJHH-UHFFFAOYSA-N 437.315 5.171 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 466674881 BMPIRNXCJSZLAZ-IBGZPJMESA-N 437.503 5.727 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 468155078 HNGWVNDRBOXZFJ-NRFANRHFSA-N 446.551 5.596 30 20 IKED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(F)c(Br)c1 469264304 PZZMIGASJHWYLL-CQSZACIVSA-N 430.321 5.344 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@@H](c3cccnc3)c3cc4ccccc4o3)ccc21 469295465 WBVCIDIWZQGPLW-MHZLTWQESA-N 436.515 5.612 30 20 IKED C[C@H](O)C[C@H](CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccccc1 469698052 NYIGSJNOJPZTAD-FXAWDEMLSA-N 433.483 5.166 30 20 IKED CCCCc1ccc([C@H](NCc2nnc(-c3cccc(C#N)c3)o2)c2cccs2)cc1 471617578 GRHFQZYDZGDRCF-DEOSSOPVSA-N 428.561 5.892 30 20 IKED N#C[C@]1(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CCc2ccccc2C1 472295986 SKUNFNZEXSAPJY-QHCPKHFHSA-N 437.421 5.074 30 20 IKED CC1(C(=O)Nc2ccc(CN3CCCC3)cc2)CCN(c2ccc(Cl)cc2C#N)CC1 478298116 FLRFMTHECNMCML-UHFFFAOYSA-N 436.987 5.053 30 20 IKED CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 483406212 GFNTXNMAKNBQKI-UHFFFAOYSA-N 427.504 5.521 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)cc1 483438877 MUIXRHIXGCPJDB-QFIPXVFZSA-N 438.449 6.006 30 20 IKED C=C[C@H]1CCCCN1C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C 488392482 FCHZDUJEPYUFQI-IBGZPJMESA-N 431.458 5.839 30 20 IKED Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)[C@H](Oc1ccccc1C#N)C(C)C 489365239 ROHYQDUSAPTFPY-HHJKRLRDSA-N 447.579 5.027 30 20 IKED C=C(C)Cn1c(SCc2csc(CCc3ccccc3)n2)nnc1-c1ccncc1 489446136 NBLKGAZKVSWPAS-UHFFFAOYSA-N 433.606 5.450 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1COc2ccc(Cl)cc21 489901997 YMIMLFGMYZZPGL-AWEZNQCLSA-N 426.847 5.479 30 20 IKED Cc1ccccc1-c1noc([C@H](C)S(=O)(=O)Cc2ccc(-c3ccccc3C#N)cc2)n1 494726373 GHHUXKORVFKQFH-SFHVURJKSA-N 443.528 5.260 30 20 IKED COc1cc(C(=O)Nc2ccnn2-c2ccc(C#N)cc2)cc(Cl)c1OCCC(C)C 497915701 GKQRWAAJDGWDDD-UHFFFAOYSA-N 438.915 5.083 30 20 IKED Cc1ccc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1NC(=O)c1ccccc1 499410055 YGIITNQOTNMYQU-OAQYLSRUSA-N 448.320 5.005 30 20 IKED N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 500440733 JHJMVXYPUPIHKC-UHFFFAOYSA-N 432.890 5.068 30 20 IKED Cc1nc([C@@H]2CCCCCN2C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)no1 501787275 JBRZGCQHYOTBBQ-FQEVSTJZSA-N 436.899 5.453 30 20 IKED CCCN(CCC)C(=O)c1cccc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c1 502393307 PVUOFQNHMUCYDI-UHFFFAOYSA-N 432.549 5.196 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc(C)cs2)ccc1OCc1ccc(Cl)cc1Cl 502689728 NCPKZDTZPZOJFL-INIZCTEOSA-N 447.343 5.836 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)CCc2cccc3ccccc23)cc1C 505075162 CUNRNNMEPKYMLC-UHFFFAOYSA-N 436.559 5.549 30 20 IKED Cc1ccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)cc1NC(=O)c1ccccc1F 505820336 KESRIVXCLHLLJO-XMMPIXPASA-N 443.522 5.679 30 20 IKED C[C@@H](NC(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1)c1ccc(C#N)cc1 509709623 CRNODABHEPTFMD-QUCCMNQESA-N 435.572 5.104 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)cc1 509728428 LIJJZKOVSCIJOG-HXUWFJFHSA-N 449.448 5.455 30 20 IKED CC(C)[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)N1CCc2sccc2C1 510187921 UTQHNYUNYAGKQJ-JOCHJYFZSA-N 433.602 5.383 30 20 IKED COc1cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc(OC)c1C(C)C 510333072 MOIWEKKMIGHKAJ-UHFFFAOYSA-N 431.492 5.447 30 20 IKED C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 511925184 DEBNGXZKBKAOKZ-UOBYYGQQSA-N 440.975 5.130 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@@H](c3nc([C@H](F)c4ccc(C(F)(F)F)cc4)no3)C2)n1 512025214 LBELBDGNRBTLRJ-SJLPKXTDSA-N 445.420 5.106 30 20 IKED N#Cc1ccc(OCC(=O)C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 513666025 JJZDQNDLOJNKNQ-UHFFFAOYSA-N 441.537 5.558 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCCc1nc2ccccc2s1 514536535 MGPGSDLFBMTYRX-UHFFFAOYSA-N 443.547 6.172 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4cccc(Cl)c4)c3)n2)cc1 516270076 MIVGOESMXKKZBX-LJQANCHMSA-N 429.892 5.011 30 20 IKED CC(C)[C@H](NC(=O)c1ccccc1)c1noc(/C=C\c2cn(CCC#N)c3ccccc23)n1 516996354 OLIFUTXTCRHAOW-XWDDPXMASA-N 439.519 5.235 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C 517138622 WUPUQAZIDACKHP-QGZVFWFLSA-N 434.540 5.588 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(F)cc2cccnc12 517459839 VVTGGUFTVXITIL-HNNXBMFYSA-N 425.554 5.498 30 20 IKED Cc1cc(C)n(-c2ccc(-c3noc(-c4cccc(Oc5ccc(C#N)cc5)c4)n3)cn2)n1 518342925 PXBDRNCICNHXSD-UHFFFAOYSA-N 434.459 5.265 30 20 IKED CCC(CC)CN(CCC#N)C(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C 519116667 UFMLMYGSVSBOND-UHFFFAOYSA-N 431.584 5.780 30 20 IKED CCCN(Cc1ccccc1Br)C(=O)Nc1ccccc1S[C@@H](C)CC#N 520198057 YXGHQTPFPOVVLT-INIZCTEOSA-N 446.414 6.287 30 20 IKED N#Cc1c(NC(=O)c2oc3ccccc3c2CSc2cccs2)sc2c1CCC2 520692594 NURCJRCRCUWJFG-UHFFFAOYSA-N 436.583 6.461 30 20 IKED CCOc1ccc([C@@H](NC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccccc2)cc1 520855446 NKXFVJFMBREOFI-DFBJGRDBSA-N 445.588 6.248 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCC2 521055304 HYCLHNDZSSBKAH-AWEZNQCLSA-N 445.569 5.791 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)[C@@H](C)c1c(F)cccc1F 521256054 RFISNWZPQFOHHN-INIZCTEOSA-N 449.457 5.095 30 20 IKED N#CCCSc1ccccc1NCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 521725715 FQWWULXGYKHIRB-UHFFFAOYSA-N 447.404 5.781 30 20 IKED Cc1cc(Sc2ccccc2)ccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 521864680 ADGIHIUZTIAJTD-UHFFFAOYSA-N 443.572 5.812 30 20 IKED Cc1cccc(-n2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)nn2)c1 522242267 AIQXAQDMRLWSCM-NRFANRHFSA-N 427.895 5.137 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(C(=O)Nc4ccccc4)cc3)c2)cc1 522314846 WYSBTRKGDGMCTD-UHFFFAOYSA-N 447.494 5.642 30 20 IKED CC(C)n1cc2cc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)ccc2n1 522924621 QSWUXASBOQKBBQ-UHFFFAOYSA-N 426.545 6.033 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCC2(c3ccc(F)cc3)CC2)cc1 523151434 GDLJKFMUWNTEOH-UHFFFAOYSA-N 431.486 5.280 30 20 IKED C=CCN(C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 523844897 ZTGSNTHREJETNG-JKSUJKDBSA-N 441.459 5.319 30 20 IKED CCc1c(C)sc(NC(=O)CCc2ncc(-c3ccccc3Br)o2)c1C#N 524329926 JKXDQBVQIZEJKS-UHFFFAOYSA-N 444.354 5.479 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3c(F)cc(F)cc3-c3ccccc3)c2)c1 524504817 FEOORUYBNWOAGU-UHFFFAOYSA-N 440.449 6.335 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@H](c3ccc(Cl)cc3)C(F)(F)F)cc2)nc1 525483072 XOKJCRRZQYTNFN-LJQANCHMSA-N 431.801 5.432 30 20 IKED CN(CC(C)(C)C)C(=O)c1cccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 525563962 XNCNUEHYNYXXPQ-UHFFFAOYSA-N 441.531 5.721 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1 531503780 QLPFOYWPKLCZGE-UHFFFAOYSA-N 438.487 5.160 30 20 IKED C[C@@H](C#N)CN(C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)C1CC1 533596359 JXWTTWASOFVTPN-AWEZNQCLSA-N 430.430 5.114 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCCn1c(=O)oc2ccccc21 533812999 RAUCDIBOVVZOAL-UHFFFAOYSA-N 449.454 5.038 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1ccc([S@](C)=O)cc1 534476562 XDJYSBJYUDGERO-INZIPBBXSA-N 433.533 5.279 30 20 IKED Fc1ccc(OCc2noc(CN[C@@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)n2)cc1 538322808 ZKQKKFYEIWMQDQ-KRWDZBQOSA-N 449.326 5.200 30 20 IKED C[C@@H](CCO)C1(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCC1 538343888 PXCDFQVUFBSJJS-LAUBAEHRSA-N 425.960 5.306 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1ccccc1F)C1CCCC1 539325567 JWIHQQDJPBQBJO-BXKMTCNYSA-N 425.573 5.537 30 20 IKED COc1cccc(OC)c1Oc1ccc(CNc2ccc(Br)cc2C#N)cn1 541172226 JIPLCRGYPNYJKW-UHFFFAOYSA-N 440.297 5.137 30 20 IKED Cc1cc(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(C)n1Cc1ccncc1 545850823 IPPBKVQIMJLXIJ-HXUWFJFHSA-N 434.543 5.578 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCC1CCN(C(=O)C(C)(C)C)CC1 547253314 JETKMKWFDVRQJP-KRWDZBQOSA-N 447.670 5.037 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC(=O)c1sc2ccccc2c1Cl 548103657 LIXIWXCFSXINCD-ZDUSSCGKSA-N 443.981 5.317 30 20 IKED COc1cc(C(=O)Nc2ccccc2CC#N)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 549697083 XQRRSXSFRQAANP-UHFFFAOYSA-N 437.839 5.367 30 20 IKED COc1cccc(Nc2ccccc2C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1 553209531 LILSGUCTCKAEDG-UHFFFAOYSA-N 445.494 5.133 30 20 IKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H](c1ccccc1)N(C)C 554172015 JLCXNFVQJXJSHL-RXFWQSSRSA-N 442.563 5.145 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(OCc2cscn2)c1 558317885 CLVAGQRYXDLYIX-UHFFFAOYSA-N 425.558 5.110 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)C3CCC(OC[C@H]4CCCO4)CC3)c2)cc1 559081713 PPHIDDPTHGENFC-TXDAUAKNSA-N 448.563 5.025 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1 563982102 WKUNUUZKGRYWNF-UHFFFAOYSA-N 449.432 5.214 30 20 IKED FC(F)C(F)(F)COCCc1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 573484615 SKSRNMREMXZMSX-UHFFFAOYSA-N 440.237 5.234 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(-c2cccnc2OCC(F)F)no1 581158074 SOXARIZJYUVTOR-UHFFFAOYSA-N 427.329 5.026 30 20 IKED CC(C)[C@@](C)(C#N)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 585720209 QNIFCHUXQODWHX-HXUWFJFHSA-N 426.523 5.024 30 20 IKED CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 589363477 ABLBGOOJCKVVBS-OAQYLSRUSA-N 427.508 5.008 30 20 IKED N#CCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)c(Cl)c1 589838948 WBLHAGSMMXZFIP-UHFFFAOYSA-N 440.352 5.207 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)cc1 591952441 VWZUAEVXZOVGFN-JOCHJYFZSA-N 438.499 5.353 30 20 IKED Cc1c(C#N)c(NC(=O)CCSc2ncc(-c3ccccc3)[nH]2)n(Cc2ccco2)c1C 603454294 NDTQUUAFKJRGSJ-UHFFFAOYSA-N 445.548 5.129 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(Cl)c4cccnc34)s2)cc1 603557669 PCVXOYVSIODYNO-UHFFFAOYSA-N 437.937 5.156 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](c4cc5ccccc5[nH]4)C3)cn2)cc1 603829153 KUAPHUJRWMSGLT-FQEVSTJZSA-N 437.503 5.638 30 20 IKED CCOc1cc(C(=O)Nc2sc(CC)cc2C#N)ccc1OCCOc1ccccc1 604027570 HBSFRQKNKWVYIQ-UHFFFAOYSA-N 436.533 5.291 30 20 IKED Cc1cccc(-n2ncc(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)c2C)c1 609173038 JMPJNWSVUBQTFI-AREMUKBSSA-N 436.515 5.063 30 20 IKED CCCN(C(=O)c1ccc(CNC(=O)c2cccs2)cc1)c1cc(Cl)ccc1C#N 609286176 MAMNKOFGQCFMSG-UHFFFAOYSA-N 437.952 5.260 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccccc1SC[C@H](C)C#N 609377777 LYFOBOCSPXWDSL-CQSZACIVSA-N 425.554 5.686 30 20 IKED N#C[C@H](NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)c1cccc(Cl)c1Cl 609414503 VFNIABRANUJOFA-DYVFJYSZSA-N 445.375 5.201 30 20 IKED N#CCCCOc1cccnc1NS(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1 609473134 MEFYHGBMFAJRFQ-UHFFFAOYSA-N 443.912 5.011 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccccc3SCC(F)(F)F)cc2)nc1 609498760 GGCQXZGPHYMSSK-UHFFFAOYSA-N 429.423 5.652 30 20 IKED C[C@@](C#N)(CCc1ccccc1)NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 609523713 IMVXAARNCITATM-QFIPXVFZSA-N 443.494 5.403 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2OCCc3ccccc32)cc1Cl 609601362 KGNULSAUTJOKKX-VWNXMTODSA-N 431.923 5.431 30 20 IKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1Cl 609690212 REJCNXFRFVYFFS-FOIQADDNSA-N 429.973 5.044 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N(Cc3ccc(O)cc3)Cc3ccco3)cc2)cc1 609710131 SNVQSUFGWHMCHF-UHFFFAOYSA-N 438.483 5.686 30 20 IKED CN(Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 610322183 NSKGWHIMZDAIBS-QHCPKHFHSA-N 426.520 5.089 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1C(F)F 611249467 BVZLZWIJAGLCRA-VIFPVBQESA-N 441.187 5.161 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 618734116 APLRZDHMRJUQCC-IBGZPJMESA-N 427.451 5.047 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC[C@@H](c2ccc(F)cc2)C1 674861851 LTIIFGLZKULFIU-NYTXWWLZSA-N 426.376 5.234 30 20 IKED C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 727232453 KSWINUJCHJFTKL-CZUORRHYSA-N 441.434 5.344 30 20 IKED Cc1ccc(F)cc1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728062189 JDGAEFCDOLBJAN-INIZCTEOSA-N 437.902 5.677 30 20 IKED COc1ccc(-c2n[nH]cc2/C=C/C(=O)c2ccc(OC(F)F)cc2OC(F)F)cc1 728157976 TWIAHSPIOJCIRB-RUDMXATFSA-N 436.361 5.184 30 20 IKED C#Cc1cccc(N(Cc2ccccc2)C(=O)CCOc2ccc(CCC(C)=O)cc2)c1 728248686 VDMYZCNAHMKQQA-UHFFFAOYSA-N 425.528 5.192 30 20 IKED CCCN(CC)C(=O)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc([C@@H](C)CC)cc2)cc1 729187351 AOARHQXUQGQFPJ-MBSDFSHPSA-N 433.552 5.033 30 20 IKED CC(=O)Nc1ccc(/C=C\C(=O)c2sc(-c3ccccc3Br)nc2C)cc1 730148533 HXAKORVKBRNOOP-XFXZXTDPSA-N 441.350 5.736 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 731079888 ZHYNICJWIZNIMW-FHLIZLRMSA-N 428.941 5.020 30 20 IKED COc1ccccc1[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 731109124 NGYWDTJSZRRKPN-IAPPQJPRSA-N 447.538 6.262 30 20 IKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nnn1-c1cccc2ncccc12 731326516 RSIJIIBRCXUFMK-QHCPKHFHSA-N 444.498 5.032 30 20 IKED COc1ccc([C@@H](NCc2ccc(OCC#N)cc2)c2ccccc2)cc1Br 731665809 FQHOOEKXPAHOJF-QHCPKHFHSA-N 437.337 5.239 30 20 IKED C=CC[C@H](NC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccncc1 734680095 QLGOOFYUGHRANL-VWLOTQADSA-N 437.547 5.393 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)c2)c1 734705465 HVKHURQRPGMGDO-RUZDIDTESA-N 445.478 5.252 30 20 IKED O=C(/C=C/c1c(OC(F)F)ccc2ccccc12)c1ccc(S(=O)(=O)C(F)F)cc1 735232255 KIVLQLUUNMVOAH-ZHACJKMWSA-N 438.398 5.334 30 20 IKED Cc1nc(CSc2ccc(C(=O)OCc3cc(Cl)ccc3OCC#N)cc2)cs1 735341861 ROXOSRZUTRKBLH-UHFFFAOYSA-N 444.965 5.657 30 20 IKED CSc1cccc([C@H](NC(=O)Nc2cccc(OCC#N)c2)c2cc(F)ccc2F)c1 743102433 HMJXSOYEERNPSM-QFIPXVFZSA-N 439.487 5.500 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 743238502 RKTDTGRKWBTZLE-FQEVSTJZSA-N 444.466 5.492 30 20 IKED CC(=O)c1cccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 745312984 GUTXLNMBRYRBFU-MLGOLLRUSA-N 432.423 5.161 30 20 IKED Cc1nn(C)c(C)c1[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 747021945 SHOXQRQVEHCUSM-BMIGLBTASA-N 433.364 5.447 30 20 IKED CSCc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1F 747108382 NTKOHMLCIGNIOZ-LJQANCHMSA-N 434.492 5.442 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cnc(-c3ccc(C)cc3C)s2)cc1Cl 747111672 JCAHUDQFGNGJJW-MRXNPFEDSA-N 439.924 5.050 30 20 IKED C[C@@H]1C[C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCN1Cc1ccccc1 750988071 AXRJQQZVJRXNDL-SACAOSOOSA-N 438.575 5.517 30 20 IKED C/C(=C\C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1OC(F)F 753204419 NGGMYMBHCYKVRT-AGYGCQASSA-N 431.323 5.281 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc([N+](=O)[O-])cc1F 755641843 ZBPYJSXYPAIQOX-GWCFXTLKSA-N 431.395 5.116 30 20 IKED Cc1cc(OCc2ccccc2)ccc1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 761862727 XLTJGHSAFHXTCU-RUZDIDTESA-N 427.504 5.051 30 20 IKED C[C@H](C#N)Oc1ccc(CN[C@H](C)c2nc(-c3ccc(Br)cc3)cs2)cc1 763533427 QWNOFDDTKBBRBJ-HUUCEWRRSA-N 442.382 5.714 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccc(-c3ccccc3)cc2)nnc1-c1ccncc1 768413969 CWZJUZMQVFWMKM-UHFFFAOYSA-N 441.560 5.314 30 20 IKED CCC(C)(C)N/C(S)=C(/C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)[n+]1cccc(C)c1 773940282 GGQCLUMECYDNRD-UHFFFAOYSA-O 440.633 5.068 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(C#N)c(F)c2)cs1 776726518 KHTRPRKTOWLWIB-RMKNXTFCSA-N 425.872 5.388 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1ccccc1Oc1ccccc1C#N 778180097 ATNIMMPLXOSNEB-UHFFFAOYSA-N 428.488 5.578 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 778285726 OEZQSDHSWNMZNI-VWLOTQADSA-N 430.479 5.075 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1cc(Br)cs1 782229566 AIDMBEFVBOMSAI-UHFFFAOYSA-N 442.264 5.218 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(c2ccccc2Br)CC1 784460289 XJXGSSMBLMNCRG-HNNXBMFYSA-N 428.330 5.151 30 20 IKED CC(C)[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H](O)c1ccccc1 788579296 YBPXEBCSUGXDDR-CLJLJLNGSA-N 443.547 5.211 30 20 IKED CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1cc(-c2cccc(C#N)c2)no1 789115855 DJVFMESZUIQDDA-UHFFFAOYSA-N 431.492 5.256 30 20 IKED Cc1ccc(Oc2ccccc2NC(=O)COC(=O)C[C@H](CC#N)c2ccccc2)cc1 795991741 OUEQGXDYHHXCSM-NRFANRHFSA-N 428.488 5.357 30 20 IKED CC(C)(CC(=O)c1ccccc1)CC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 799602560 UYRNAGUAACIDJU-GOSISDBHSA-N 444.503 5.338 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)[C@H]3C[C@@H](c4ccccc4)OC3=O)cc2Cl)c1 809663375 OIAWTXHYAYCJFN-OFNKIYASSA-N 446.890 5.034 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(CC[C@H](C)F)C2=O)c1 814705254 XNAAHOAXIUZHOW-PXNSSMCTSA-N 427.545 5.012 30 20 IKED C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(C(F)(F)F)nc1Cl 821215564 WGRKZJOEBDABDU-OAHLLOKOSA-N 445.872 6.055 30 20 IKED O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(-n2cccn2)cc1 878901955 IDOGGBNWJUDFKZ-SDNWHVSQSA-N 431.499 5.075 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CCCCC#N)c1nc(-c2c(Cl)cccc2Cl)no1 904305704 FTLSFASLZRNDGN-AWEZNQCLSA-N 425.316 5.693 30 20 IKED Cc1ccc(-n2c(-c3ccncc3)nn(CN(C)Cc3ccc(C#N)cc3)c2=S)cc1C 914782971 AJTXECJIKZXAQB-UHFFFAOYSA-N 440.576 5.043 30 20 IKED Cn1c([C@H](C#N)C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)nc2ccccc21 915101140 PAQVHNRUQKJNJI-MRXNPFEDSA-N 440.450 5.135 30 20 IKED FC(F)(F)c1ccc(CNN=Cc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 915972994 YDLLFRMCFZWYMR-UHFFFAOYSA-N 435.453 5.136 30 20 IKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1OC1CCCC1 916931994 PCZOKMRWMUUYIG-INIZCTEOSA-N 447.318 5.285 30 20 IKED N#C[C@@H](C(=O)COC(c1ccccc1)c1ccccc1)c1nc2cc(Cl)ccc2s1 917046149 GIHRIYYFTPEICZ-IBGZPJMESA-N 432.932 5.932 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)CCc4cnc5ccccc5c4)CCC3)cc2)C1 1785803700 VHXARTMFACZWIP-UHFFFAOYSA-N 439.559 5.268 30 20 IKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccoc4Cl)CCC3)cc2)c1 1786042424 GQLLKYDJAPKHRR-UHFFFAOYSA-N 447.922 5.185 30 20 IKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)c(C)o1 1787345350 VQANXEKNFXQFDK-KRWDZBQOSA-N 441.531 5.585 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)CCC(=O)c3ccc(OC)cc3)cc2)CCC1 1787692541 PHVDRDPMGQETDR-IBGZPJMESA-N 448.563 5.004 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cncc4cnccc34)cc2)CCC1 1790011219 VKDYAJCVQLIUGC-JOCHJYFZSA-N 440.547 5.146 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnc(Cl)c(Cl)c3)CCC2)cc1 1791250581 VVXHQODMXKZNIS-AWEZNQCLSA-N 432.351 5.348 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(C)cccc2C)[C@@H]1c1cccnc1 1802501496 YPQPDRHNTHDYAA-ISKFKSNPSA-N 433.596 5.010 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](C)c3ccc(Cl)cc3)C2)CC1 1805194174 LSHJGPPEVWOKDS-REWPJTCUSA-N 443.031 5.443 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](CC)c2ccccc2)[C@H]1c1cccnc1 1806269776 QEQSMPOSUKEFOH-UBFVSLLYSA-N 447.623 5.274 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4cccc(F)c4s3)n[nH]2)C1 1818594471 WZEJZPSMHHNFAG-SFHVURJKSA-N 438.528 5.036 30 20 IKED CC1=CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)CC1 1818810497 VFIQPFXSRZKRGZ-MSYCTHLASA-N 445.567 5.089 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](F)c2ccccc2)[nH]n1 1819552865 HIUZJSDPVHARKO-FPOVZHCZSA-N 426.536 5.105 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3[nH]ccc3s2)CC1 1823752106 LPXDZIJIFDANEA-HXUWFJFHSA-N 441.641 5.455 30 20 IKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC2CCC(C)(C)CC2)CC1 1824538823 OOIIFKICGYTHFT-FYYLOGMGSA-N 436.706 5.167 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccsc2)CC1 1825301263 PQUKFNKPXLLKAF-XCRVJHMQSA-N 426.626 5.149 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2)CC1 1827793398 VHIYNOGOFGQJHT-PXDATVDWSA-N 445.607 5.194 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)cc2OC)CC1 1829071681 VTOQFFVBXNYJQY-QFIPXVFZSA-N 444.591 5.060 30 20 IKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(C)C)cc2)CC1)C(F)(F)F 1831453431 VOIMOTDCIFVOQG-OAQYLSRUSA-N 436.518 5.162 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccccc1Oc1ccccc1 1847532633 OGGQLXWQSJDPIH-ZEQRLZLVSA-N 430.548 5.063 30 20 IKED Cc1cccc(N/C(S)=C(\C(=O)c2cc(C)sc2C)[n+]2ccc3c(c2)CCCC3)c1 10167608 KGIYVBOESWMKHE-UHFFFAOYSA-O 435.638 5.891 30 20 IKED C=CCn1c(SCc2cc(Cl)c3c(c2)OCCCO3)nnc1-c1ccccc1OC 17709140 WCRXESVTXURFRQ-UHFFFAOYSA-N 443.956 5.247 30 20 IKED Cc1nn(-c2ccc(F)cc2)c2sc(/C(O)=N/c3nnc(C(F)(F)F)s3)cc12 29283530 RCRVLJBUWGZNKY-UHFFFAOYSA-N 427.408 5.041 30 20 IKED C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 105284211 NHAXBYRJNPZPLM-LBPRGKRZSA-N 447.010 5.475 30 20 IKED C=CCn1c(SCC(=O)N(CC)[C@H](C)c2ccc(F)cc2)nnc1-c1ccccc1F 195677290 CYTXCNHHKWKDRH-MRXNPFEDSA-N 442.535 5.111 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCC[C@@]3(CC=CCC3)C2)c1 303632852 YXQMINIHIQEWGQ-SANMLTNESA-N 445.588 5.252 30 20 IKED Fc1ccc(OCc2nc(CN3CCC(C(F)(F)F)(C(F)(F)F)C3)cs2)cc1 303702738 RYDPARIZUUTPJZ-UHFFFAOYSA-N 428.373 5.178 30 20 IKED Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1sc2ccc(C#N)cc2c1C 428128315 ALVRFWNFSGTFPU-UHFFFAOYSA-N 425.513 5.894 30 20 IKED CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1cccc(SCC#N)c1 429952393 SHFRYHLQBZVZHN-UHFFFAOYSA-N 438.556 5.427 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)s1 430627667 UAMNWRJXOLLOSO-HNNXBMFYSA-N 433.562 5.240 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O 438054482 HZTJJLBGOCIZLM-QAPCUYQASA-N 442.972 5.051 30 20 IKED N#Cc1cccnc1OC1CCC(NC(=O)CCCc2cc(Cl)sc2Cl)CC1 438607044 MOJPFMZZNRERBZ-UHFFFAOYSA-N 438.380 5.151 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)cc1F 438650251 PMVZSJHGCDULSC-CJFMBICVSA-N 445.494 5.779 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1F 438665413 PVAOLRGLSAJYST-FQEVSTJZSA-N 434.471 5.041 30 20 IKED C=CCOc1cccc(NC(=O)C(=O)Nc2ccccc2SCc2ccccc2OC)c1 438670559 WQRUYAKKKTYQDW-UHFFFAOYSA-N 448.544 5.130 30 20 IKED CCN(C(=O)c1ccc(C#N)cc1C)[C@@H](c1ccc(Br)cc1)c1cccnc1 438831463 JOPBWONDQZKXHB-QFIPXVFZSA-N 434.337 5.276 30 20 IKED CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)N[C@@H](CCC#N)c3ccccc3)cc2)c1 439384368 JAAAFQXIESINQM-QHCPKHFHSA-N 449.532 5.049 30 20 IKED CCSCc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 441128619 SJEZMZQFUIORQP-UHFFFAOYSA-N 431.517 5.181 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C[C@@H](C)O)[C@H](C)Cc1ccc(Cl)cc1 441624897 LCMRCEIMDQLHTM-KURKYZTESA-N 446.016 5.580 30 20 IKED C=CCC[C@@H](NC(=O)N[C@@H](CC)c1nnc2n1CCCCC2)c1ccc(C(F)(F)F)cc1 442250432 NGGHBBDOZMLXSG-RBUKOAKNSA-N 449.521 5.481 30 20 IKED N#CCCCn1cc(C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)c2ccccc21 444301444 MJSGCDJTCMSLMO-DEOSSOPVSA-N 428.923 5.513 30 20 IKED CC(C)N(C[C@@H](O)COc1ccccc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 444904192 ZTLGNCFIMCBREG-JOCHJYFZSA-N 445.519 5.033 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(Oc2ccccc2)c(F)c1 445664898 NDBLGLYZRSMWFW-QGZVFWFLSA-N 445.494 5.235 30 20 IKED CC(C)c1nc(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccccc2n1 447336933 ZOJCDBROKHMXEP-INIZCTEOSA-N 436.606 5.736 30 20 IKED N#Cc1ccc(OCc2nnc(N3CCC[C@H]3c3ccsc3)n2Cc2cccs2)cc1 461496463 NMDUDHIUIKJSSG-NRFANRHFSA-N 447.589 5.242 30 20 IKED CSc1cccc([C@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)c2ccc(F)c(F)c2)c1 465653028 FXYUQSQVBMHSQC-WNSKOXEYSA-N 437.515 5.708 30 20 IKED C[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)Oc1ccc(F)cc1 466191758 GWNBWRYWOHCGQT-SFHVURJKSA-N 435.474 5.016 30 20 IKED COc1ccc(C(=O)Nc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)s2)cc1 467060163 OGGJOAGGXULTTD-OAHLLOKOSA-N 433.514 5.109 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC(=Cc2ccc(F)c(F)c2)CC1 469447004 WNVHRXUMJQHMTB-KRWDZBQOSA-N 441.547 5.334 30 20 IKED Cc1nc(CC2CC2)oc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 475032952 LWMICHXGNJMLGV-CQSZACIVSA-N 432.332 5.856 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCCC(=O)Nc1ccc(Br)cc1 475547712 HRPXCADTLGVMMK-UHFFFAOYSA-N 444.373 5.451 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O 475577816 IGHQLCMOTLVQBK-QFIPXVFZSA-N 441.522 5.129 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NCC(=O)Nc3cc(Cl)ccc3Cl)c2)cc1 482069343 QOBITBSIAMVLIR-UHFFFAOYSA-N 440.286 5.026 30 20 IKED CCc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccccc1Cl 482582109 SOJSLMSKEHPRKE-CYBMUJFWSA-N 439.853 5.323 30 20 IKED CC(C)(C)n1cc(C(=O)[C@@H](C#N)c2nccc3ccccc23)c(-c2ccccc2Cl)n1 483232259 SEWGTXFYLDLDGS-IBGZPJMESA-N 428.923 5.997 30 20 IKED CCCc1c(C(=O)[C@H](C#N)c2nccc3ccccc23)cnn1-c1cc(F)c(OC)cc1F 483239681 SOMIRARWNOPNSI-QGZVFWFLSA-N 446.457 5.150 30 20 IKED CCOc1ccccc1Oc1ccccc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 484574474 XKQOTCFCBYZQRC-QGZVFWFLSA-N 426.394 5.781 30 20 IKED CCCc1c(NC(=O)Nc2cnn(C(CC)CC)c2CC)cnn1-c1cccc(C#N)c1 484675577 FCZHFQVZGKOKQC-UHFFFAOYSA-N 433.560 5.460 30 20 IKED COC[C@H](NCc1ccc(OCc2cccc(C#N)c2)c(OC)c1)c1ccc(Cl)cc1 488747719 JAHPDQUPRNELHR-QHCPKHFHSA-N 436.939 5.277 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1ccnc(SCC(F)(F)F)c1 494101554 YPWQMZZKCZHUEK-UHFFFAOYSA-N 444.328 5.191 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl 498413349 KBJWVLJCHGZGSK-CHWSQXEVSA-N 436.364 5.002 30 20 IKED N#CCCN(Cc1cccnc1)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 500068059 RVWKTNDVMAFMSR-UHFFFAOYSA-N 426.495 5.244 30 20 IKED Cc1cc(NC(=O)c2oc3ccccc3c2CSCc2ccccc2)nn1CCC#N 504101158 WPEJKWYVSGADQK-UHFFFAOYSA-N 430.533 5.537 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCCC[C@@H]3c3ncc(-c4ccccc4)[nH]3)cc2)nc1 507269863 KSTNJYMYPSOTBR-XMMPIXPASA-N 449.514 5.503 30 20 IKED C=CCn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N(C)Cc1cscn1 508850511 VHMULCJXUOBBIN-UHFFFAOYSA-N 428.521 5.032 30 20 IKED C=CCN(C(=O)COCc1cc(C)no1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 509010837 IDOMSDRLRUNJSE-UHFFFAOYSA-N 445.544 5.509 30 20 IKED C=CCNC(=O)Nc1ccc(N[C@@H](C)c2ncc(-c3ccc(Cl)cc3Cl)o2)cc1 512326984 WHPVVNNRCLAKBW-ZDUSSCGKSA-N 431.323 6.129 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 513144868 WYDDRLUFPXVXOV-UHFFFAOYSA-N 428.919 5.614 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)c1nc2ccccc2[nH]1 513681522 DQKNTUCDWDIJSE-INIZCTEOSA-N 427.851 5.152 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C 515133509 CMSNCZLIVVXXDU-UHFFFAOYSA-N 435.549 5.060 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cccc(NC(=O)c2cccs2)c1 515697545 UQWGQFSBJRYRDP-UHFFFAOYSA-N 429.526 5.853 30 20 IKED C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]1c1ccccc1OC 516817629 FUOICBKABIDQOB-LJQANCHMSA-N 436.581 5.115 30 20 IKED Cc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c2cnn(Cc3cccs3)c2n1 517518677 RHRSOQDQQXJJCA-INIZCTEOSA-N 447.589 5.496 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ncc(Cc4ccccc4Cl)s3)cc2)nc1 517652482 XDLLNMZTCVSZFF-UHFFFAOYSA-N 446.919 5.699 30 20 IKED C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)c2)C1 518227105 XSNOWPKMSJWBRF-PXDATVDWSA-N 447.579 5.447 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1sccc1Br 519417330 SRFXBTLTVZOAHW-GFCCVEGCSA-N 441.441 5.777 30 20 IKED CC(C)(CCC#N)CNC(=O)c1cccnc1SCc1ccc(Br)cc1 520284445 NZHPGUXCCPCJMD-UHFFFAOYSA-N 432.387 5.196 30 20 IKED Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2S[C@H](C)CC#N)c(Br)c1 520928944 KMSGGBQKUDTQHU-CABCVRRESA-N 433.371 5.558 30 20 IKED CN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccc(Br)cc1F 521244521 QFZVFSQHJDXZCO-UHFFFAOYSA-N 443.247 5.668 30 20 IKED Cc1cc(C)n(-c2ccc(-c3noc(-c4ccc(OCc5ccccc5C#N)cc4)n3)cn2)n1 521908068 QCMISFAAYZSENV-UHFFFAOYSA-N 448.486 5.052 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC)cc12 523104833 KUIAAUNHHGPTTB-UHFFFAOYSA-N 439.515 5.529 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(Oc3ccc(F)cc3F)cc2)c1C 523535204 AJMQCFPPLFPVIS-UHFFFAOYSA-N 444.441 5.684 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccnc1OCC(F)(F)F 524391744 BJICZGIGRVXOPJ-UHFFFAOYSA-N 441.409 5.034 30 20 IKED COc1ccc2c(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)coc2c1 524456806 MTBGLZYZFWNIDC-UHFFFAOYSA-N 430.435 5.212 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@](C)(C#N)CCc3ccccc3)c12 532411468 MZWWKXKBMFXNKS-SANMLTNESA-N 429.568 5.017 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 532991075 UTOMIWUZJRZOJI-MBSDFSHPSA-N 435.955 5.093 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccccc2O[C@@H]2CCOC2)cc1Cl 534887894 OIUNIHCOYIRAAC-GOSISDBHSA-N 434.879 5.424 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1ccccc1F)C1CCCC1 537123439 SLRXEDCVYZHJBQ-OSPHWJPCSA-N 425.573 5.680 30 20 IKED Cc1cc(NC(=O)N[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)nn1CCC#N 537515701 UMCGYOBPNGBDPJ-QGZVFWFLSA-N 425.842 5.050 30 20 IKED C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCCCC2(C#N)CCOCC2)nnc1-c1ccco1 538569619 GEORWGUGRINHLU-FYQPLNBISA-N 440.613 5.728 30 20 IKED Cc1nc(NC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)sc1SCC#N 540735402 JKTFGXURZWWIJU-UHFFFAOYSA-N 438.365 5.120 30 20 IKED COc1c(C)cnc(CN(C)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C 542086120 QMTAZPCUHXDOAL-IBGZPJMESA-N 428.536 5.148 30 20 IKED Cn1cc(-c2ccc(F)c(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c2)cn1 542932381 KRIPSVWHYTVFKV-UHFFFAOYSA-N 442.469 5.080 30 20 IKED CCN(C(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@@H](c1ccc(Cl)cc1)c1ccccn1 543071216 YWLANPOEUPZJLS-DEOSSOPVSA-N 441.922 5.044 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1F)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 543827321 DOTKDGFSFULCQF-INIZCTEOSA-N 436.327 5.469 30 20 IKED N#Cc1ccc(Cn2cnc(NC(=O)c3cc(Cl)ccc3Sc3ccccc3)n2)cc1 544727386 HOWQKSKYGTVJJI-UHFFFAOYSA-N 445.935 5.255 30 20 IKED COc1cc(C#N)ccc1NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C 546710014 OKJLQKQERBHAMU-UHFFFAOYSA-N 429.480 5.022 30 20 IKED Cc1c(C#N)c(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)n(C2CCCCC2)c1C 552528261 QKHMXGRZEQXDLC-UHFFFAOYSA-N 443.473 5.489 30 20 IKED C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC(C(=O)c2cc(F)ccc2F)CC1 555249368 LAELKUCMIADHAR-UHFFFAOYSA-N 440.494 5.109 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 562101614 NMXFQMFKJWAGDB-UHFFFAOYSA-N 445.519 5.027 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@H]1c1nnc(C2CCC2)o1 577419173 PGYXGBRDAOGZCS-YJBOKZPZSA-N 425.558 5.490 30 20 IKED COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 578562765 VRDZNAKXSLUDAQ-KOSHJBKYSA-N 442.519 5.759 30 20 IKED C=C(C)Cn1c(CCC(C)C)nnc1N1CCC(N(CCC)C(=O)c2cccs2)CC1 581382169 AJSYKOSZEYYLQC-UHFFFAOYSA-N 443.661 5.026 30 20 IKED CCC(CC)[C@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1 603741168 JDCCQAIJPRNHMF-QHCPKHFHSA-N 446.551 5.316 30 20 IKED COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1 603835752 RJLMLQYVUZAXPC-OAQYLSRUSA-N 439.427 5.434 30 20 IKED N#Cc1c(NC(=O)CCCc2nc(-c3cccs3)no2)sc2c1CCCCCC2 603996782 VAGBRGBIGOIYHF-UHFFFAOYSA-N 426.567 5.352 30 20 IKED CSCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)oc2ccccc12 604417422 ZQFJXQOIYKFGJG-KRWDZBQOSA-N 429.526 5.781 30 20 IKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604522868 MQTJXDCWVDBUJR-BWKNWUBXSA-N 442.519 5.377 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C 609026673 ZDFYKFSNUGFWPU-LBPRGKRZSA-N 448.832 5.037 30 20 IKED COc1ccc(-c2csc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)n2)cc1 609054296 BIJAUCTXTQYEBP-UHFFFAOYSA-N 431.473 5.115 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)cc2)c1 609064674 CQBFUESLYPEKAX-UHFFFAOYSA-N 434.499 5.453 30 20 IKED COc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609080238 UJLUNZBYXQQGLI-QHCPKHFHSA-N 443.503 5.100 30 20 IKED CCCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609123735 PQKQOEKJEZRKPF-UHFFFAOYSA-N 447.510 5.729 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)cc1 609312085 YIFGIRAIKFBOQD-HXUWFJFHSA-N 449.526 5.137 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCCc2c[nH]c3ccccc23)cc1 609356668 SWECVWMDORVGBC-UHFFFAOYSA-N 440.522 5.523 30 20 IKED C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(F)c(Br)c1 609375164 ZHVDUAFAQHDEEV-CYBMUJFWSA-N 443.272 5.123 30 20 IKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)cc1 609435701 HBFWCJZHJSMHPY-MGPUTAFESA-N 429.973 5.186 30 20 IKED N#C[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1ccccc1Br 609592255 WZQWCRNQLWQNKE-QGZVFWFLSA-N 446.757 5.150 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3c[nH]c4ccc(F)cc34)cc2Cl)c1 609644097 UZKLKRJLQCIOKC-UHFFFAOYSA-N 433.870 5.592 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 610095256 MEOJVXSVRACIRN-DOTOQJQBSA-N 428.533 5.455 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)cc1 610126251 HPJKQARXDGXBGL-NQIIRXRSSA-N 436.939 5.929 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)[C@H]3C[C@H]3c3ccccc3OC(F)(F)F)n2)cc1 610150800 UBJXFUDHCKLPFA-HOTGVXAUSA-N 429.423 5.323 30 20 IKED CCCc1c(NC(=O)c2csc(-c3ccccc3OC)n2)cnn1-c1cccc(C#N)c1 615292659 JMMOISUGDJTXNV-UHFFFAOYSA-N 443.532 5.081 30 20 IKED C=CCOc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)c1 619109753 INWNAOJTZWBWJA-UHFFFAOYSA-N 448.953 5.019 30 20 IKED N#CC1(c2ccccn2)CCN(c2nc(-c3cccc(Cl)c3)nc3c2CCCC3)CC1 619699003 NNTKWZBOJNKOQJ-UHFFFAOYSA-N 429.955 5.133 30 20 IKED O=C(Nc1ccc2c(c1)OC(F)(F)O2)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642464627 ZTWMQZDXNOZGJT-MBTKJCJQSA-N 434.283 5.039 30 20 IKED O=C(NCCCSc1ccc(F)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642629090 GMYGWCXBAUOJKT-IMRBUKKESA-N 446.432 5.517 30 20 IKED C=CCn1c(-c2ccco2)nn(CN(C)CCCc2cc(-c3ccccc3)no2)c1=S 725780701 SGDNSLDGZUIJSZ-UHFFFAOYSA-N 435.553 5.037 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 726097706 NPPRTYCHOPFKPH-UHFFFAOYSA-N 442.538 5.210 30 20 IKED C[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)NC(=O)C1CCCCC1 727628738 XNGPAIVWYAPSFF-KSSFIOAISA-N 429.973 5.115 30 20 IKED COc1ccccc1[C@@H](C)CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 728766791 KZQMMTAXXCSFNC-RXVVDRJESA-N 428.488 5.329 30 20 IKED N#C[C@H](C(=O)CN(Cc1c(F)cccc1F)C1CCCC1)c1nc2ccccc2s1 729475425 ROOGKVUSXSYZEG-MRXNPFEDSA-N 425.504 5.196 30 20 IKED Cc1ccc(S[C@H](C(=O)[C@H](C#N)c2nc3ccccc3n2C)c2ccccc2)c(C)c1 730071243 OHJCUAKCWCNLIX-CPJSRVTESA-N 425.557 5.900 30 20 IKED CC(C)(C)n1cc(/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)c(-c2ccccc2Cl)n1 731159119 NEVDGVSTAUPZJC-JLHYYAGUSA-N 449.938 5.811 30 20 IKED Cc1nc(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)sc1C 732919606 NGZQAUNWQYRTEW-CQSZACIVSA-N 440.956 5.303 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=S)Nc2ccccc2-c2ccccc2)ccc1OC 733211190 LPYJIMZHLHDQRK-HXUWFJFHSA-N 431.561 5.530 30 20 IKED COc1ccc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)c(OC(F)F)c1 734092016 QIWFBUAXMGEOGO-UHFFFAOYSA-N 445.278 5.033 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(Cc2ccccc2F)n1 735593400 LBGTUCGAKPZKNJ-CYBMUJFWSA-N 448.306 5.141 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccoc2)n1)c1nc(-c2c(F)cccc2F)cs1 739159890 IMPPVZMLYROQHV-ZDUSSCGKSA-N 427.457 5.224 30 20 IKED C[C@H](c1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1)N1CCOCC1 740454724 XGWTTZGOAQZZCU-GOSISDBHSA-N 446.576 5.002 30 20 IKED COC(=O)[C@@H](Sc1ncnc2cc(-c3ccc(F)cc3)sc12)c1ccc(C#N)cc1 741735454 JCDKNOQIWOQVJX-IBGZPJMESA-N 435.505 5.375 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CC[C@H]2c2ccc(Cl)cc2)c1=S 742173983 OLCZXDNXJMXIMO-IBGZPJMESA-N 426.973 5.334 30 20 IKED N#Cc1ccc(NC(=S)Nc2cc(Br)cc(C(F)(F)F)c2)cc1Cl 743009306 TVCCVVSQJMWTNH-UHFFFAOYSA-N 434.668 5.802 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 743146711 MNDSLKSXCIFBQF-KZNAEPCWSA-N 446.617 5.286 30 20 IKED Cc1ccc2nc(-c3ccccc3)cc(C(=O)OCc3nnc(-c4ccc(C#N)cc4)o3)c2c1 744566024 UMEHHWOXRHSTNQ-UHFFFAOYSA-N 446.466 5.489 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2oc(C(C)(C)C)nc2C#N)cs1 746498371 XTQSZCONMZXGSD-UHFFFAOYSA-N 436.541 5.048 30 20 IKED Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)[nH]c2c1 747294350 HNEOAXCWNWLFIH-RCZVLFRGSA-N 435.531 5.896 30 20 IKED N#Cc1csc(/C=C2/CN(Cc3ccccc3)C/C(=C/c3cc(C#N)cs3)C2=O)c1 748438651 ALFKXZWVTWQEPW-OJRZISNZSA-N 427.554 5.105 30 20 IKED CN(C(=O)Cc1ccc(OCC#N)cc1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 749465075 ULEMKEALTDTIND-UHFFFAOYSA-N 439.342 5.686 30 20 IKED COc1cccc(Cc2cnc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)s2)c1 751995002 MBVXWMFWKPPEEE-FGZHOGPDSA-N 432.549 5.046 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@H]3c3ccc(Cl)cc3)cc2F)c1 752226864 OIEVHYDZPPMGIW-QFIPXVFZSA-N 435.886 5.909 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)OCC1CCC(C#N)CC1 755970351 VWQPOQIQEWASOV-UHFFFAOYSA-N 434.920 5.588 30 20 IKED CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cnn(CCC#N)c1-c1ccccc1 759084914 YTERCGZUSSIQIB-OALUTQOASA-N 444.535 5.161 30 20 IKED N#C[C@@H](NC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1ccc(OC(F)(F)F)cc1 768140865 XUHJAKSHAJWSJL-JOCHJYFZSA-N 448.404 5.190 30 20 IKED CC(C)(C)OC(=O)N1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)c2ccccc21 773844905 FRBLJMNUBYCABI-UHFFFAOYSA-N 444.535 5.347 30 20 IKED C=CCSc1ccccc1C(=O)Nc1cnc(Br)c(Br)c1 776866842 PQCNTWWEYPNROM-UHFFFAOYSA-N 428.149 5.137 30 20 IKED CCCOc1ccc([C@H](C)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1OCCC 777116315 TXMIJBGPSQVJND-IBGZPJMESA-N 437.584 5.270 30 20 IKED CC(=O)N1C/C(=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)C(=O)c2ccccc2C1 778518938 CTBIOJXPOGSJBM-LICLKQGHSA-N 442.462 5.457 30 20 IKED C=CC[C@@H](OC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)c1ccccc1 778740387 YMWNNUARRZDXRI-OAQYLSRUSA-N 442.353 5.162 30 20 IKED CC(C)(C)OC(=O)N1CCCCC[C@@H]1c1noc(CSCc2ccc(C#N)cc2)n1 779589963 JTINLZNFVLLNSV-GOSISDBHSA-N 428.558 5.227 30 20 IKED CCCc1c(NC(=O)N2CCC(c3cccc(F)c3)CC2)cnn1-c1cccc(C#N)c1 784468967 KSHNEUGGZTVLCF-UHFFFAOYSA-N 431.515 5.247 30 20 IKED Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)ccc(C(F)(F)F)c1F 785798407 YQMAPJWYSBZCPR-JTQLQIEISA-N 437.311 5.356 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cc(-c3cccc(Cl)c3)on2)ccc1OC 786035167 LMAXMOKZOJSYBJ-KRWDZBQOSA-N 440.887 5.006 30 20 IKED N#C[C@@H](C(=O)NCc1cccc(Cl)c1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 786541094 VWGNKRNDFGPBLL-OAHLLOKOSA-N 448.750 5.016 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)[C@H](C#N)c1nccc2ccccc12 792097139 UMLITSFEDMLTKM-FQEVSTJZSA-N 449.341 5.763 30 20 IKED Cc1nc(SC(F)F)sc1CC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F 793810827 ZLMFIGSNRROGMG-GFCCVEGCSA-N 432.386 5.007 30 20 IKED C[C@H](OC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1C(F)(F)F 801899744 ZOKZUHLJVNMVPQ-BONVTDFDSA-N 437.311 5.305 30 20 IKED CCCCCCCCn1nc(C)c(S(=O)(=O)Nc2cccnc2C(F)(F)F)c1C 808584171 UNBUTUCSYINUNM-UHFFFAOYSA-N 432.512 5.075 30 20 IKED CC(C)OC(=O)NCc1ccc(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 810281842 GTLPSIUEPSHGAH-UHFFFAOYSA-N 445.479 5.024 30 20 IKED C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 815952033 XHTZUZLUMOLUSX-HNNXBMFYSA-N 425.410 5.081 30 20 IKED CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)c2cn(CCCC#N)c3ccccc23)C1 816310640 ZFCLMODNTYGDDR-FQEVSTJZSA-N 439.563 5.334 30 20 IKED Cc1nc(NC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)sc1SCC#N 916090045 SRBVKUBHAREHTQ-LGBHXNNWSA-N 440.432 5.130 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(C2CC2)C1=O)Nc1ccc2ccccc2c1 916208351 ABVZTRKYDLHEPV-NRFANRHFSA-N 433.508 5.102 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(CSc3ccc(C)cc3C)c2)c1 916897034 SIIWRKRGBBEPQW-QHCPKHFHSA-N 428.557 5.865 30 20 IKED N#C[C@H](C(=O)COc1ccc(Cl)c(Cl)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 916946092 KAWNOSFIZDYQOO-CYBMUJFWSA-N 432.090 5.027 30 20 IKED C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 917044320 SIJNNRBRUFIKPF-JQWIXIFHSA-N 440.302 6.095 30 20 IKED N#C[C@H](C(=O)CN1CCc2sccc2[C@@H]1c1cccs1)c1nc2ccccc2s1 917063644 DIDBOFPHWPULOA-QVKFZJNVSA-N 435.599 5.243 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)cs1 917562280 YTYJDJJKSFQCGB-JXMROGBWSA-N 434.414 5.882 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(N3CCCCC3)c2)cc1 919823144 CLFLPXQPRYCPRI-UHFFFAOYSA-N 427.573 6.093 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN(C2CC2)[C@@H](C)c2ccc3ccccc3c2)c1=S 920305050 GCQRCPBORZKSKZ-IBGZPJMESA-N 441.604 5.998 30 20 IKED C/C=C\c1ccc(OCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(OC)c1 920804528 TZMGPKJDLXIRLZ-QTLSWZBMSA-N 440.471 5.385 30 20 IKED N#Cc1ccc(CN(Cn2nc(NC3CCCCC3)sc2=S)CC(F)(F)F)cc1 921188937 SCAHPGFVUVSVHG-UHFFFAOYSA-N 441.548 5.312 30 20 IKED CC1(C)CCc2nc(O)c(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)cc2C1 1444879483 IRZCXHURXCCZFX-UHFFFAOYSA-N 431.467 5.357 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(CSc2ccc(F)cc2)cc1 1525236182 QLSLFZBDDLORSQ-UHFFFAOYSA-N 435.524 5.278 30 20 IKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc5ccoc5c4)CCC3)cc2)cc1 1785882441 FAVOIZVJCGXOBE-UHFFFAOYSA-N 449.510 5.295 30 20 IKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3C(F)(F)F)CCC2)cc1 1786372597 ZKQCEVKCNNXKTO-INIZCTEOSA-N 446.469 5.044 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CNc4ccccc43)cc2)CCC1 1788047262 PNRYPCOLMVGGOL-FYYLOGMGSA-N 429.564 5.098 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc4nc[nH]c34)cc2)CCC1 1788432099 WBPDBJDYELVEOX-HXUWFJFHSA-N 428.536 5.079 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccnc4ncccc34)CCC2)cc1 1789625466 FQNDRSLKDQUGJU-UHFFFAOYSA-N 442.563 5.370 30 20 IKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C(C)C)on4)CCC3)cc2)c1 1790796697 AFVZGAONFHAHBN-UHFFFAOYSA-N 442.519 5.040 30 20 IKED Cc1cc2cc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(C#N)cc5)CCC4)cc3)ccc2[nH]1 1790989087 VBRSQEZSKKKEMP-UHFFFAOYSA-N 448.526 5.410 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc3c1OC(C)(C)CC3)C2 1792571589 AWQXMTWSVAMMTL-WKCHPHFGSA-N 438.612 5.034 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(F)cc(C(F)(F)F)c1)C2 1798591722 DQZXACCNTZGUOJ-REPLKXPHSA-N 440.481 5.089 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccnc1 1810504804 HKCZCVCYXAVMMJ-DQEYMECFSA-N 447.623 5.517 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3cc(C)[nH]c23)n[nH]1 1818651424 DIWJRZDNPFOKPP-OAQYLSRUSA-N 447.583 5.498 30 20 IKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 1831306455 DVIOYEFZVXDLLQ-ILBGXUMGSA-N 443.031 5.113 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)cccc2F)CC1 1832548287 OLHQEEZZEUFAPS-GMAHTHKFSA-N 426.576 5.136 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)c(F)c2F)CC1 1832613685 LSMLSMAKBLKDDU-RBBKRZOGSA-N 444.566 5.275 30 20 IKED Cc1ccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(CO)c2)cc1C 11163333 XUCJFDVICGRVPA-UHFFFAOYSA-O 433.597 5.258 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3cccc(C(F)(F)F)c3)c2)c1 71944212 PUYCAHZECDOEMA-UHFFFAOYSA-N 438.409 5.151 30 20 IKED CCN(C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)[C@@H](C)c1ccc(C#N)cc1 109883559 AOFXKKBZDIQKFB-KRWDZBQOSA-N 427.533 5.091 30 20 IKED COc1ccc(C=Nn2c(-c3ccc(F)cc3)n[nH]c2=S)cc1OCc1ccccc1 254385039 DFKIOKCABZKISX-UHFFFAOYSA-N 434.496 5.217 30 20 IKED CCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 301766148 VAOVOSNAZNQUDA-OAHLLOKOSA-N 447.343 6.014 30 20 IKED CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 410308081 JTDTWOGXDCJLLW-MWTRTKDXSA-N 446.938 5.837 30 20 IKED N#CCSc1cccc(C(=O)Nc2ccnc(Oc3ccccc3Br)c2)c1 430608139 CMLHCMPUNPLBGW-UHFFFAOYSA-N 440.322 5.504 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N(CCc3ccccn3)Cc3ccncc3)c2)cc1 436336387 IFMQLVQPNQXFFS-UHFFFAOYSA-N 449.514 5.417 30 20 IKED CC(C)Oc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1Cl 437435423 AEJWNULLTLLCGF-UHFFFAOYSA-N 449.894 5.368 30 20 IKED CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)s1 437520775 ZNILMGRRFKZWGC-AWEZNQCLSA-N 425.583 5.158 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 437685545 GYIDQGJBXSWABV-DNQXCXABSA-N 439.519 5.634 30 20 IKED CC(C)(CO)[C@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccc1 438237129 ZJXZNECFEHUFIC-JOCHJYFZSA-N 430.573 5.242 30 20 IKED N#Cc1ccc(CSc2nnc(-c3c[nH]c4ccccc34)n2C[C@H]2CCCO2)c(Cl)c1 438816937 DFSIRJUKRDTUBX-QGZVFWFLSA-N 449.967 5.423 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)c1ccc(C#N)cc1 438831977 KXGZJUOOQIXOPC-CQSZACIVSA-N 438.940 5.086 30 20 IKED N#CCC[C@@H](NC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 438837887 AZTZECGAELCCJQ-JOCHJYFZSA-N 446.378 5.729 30 20 IKED CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(-c2cccc(C#N)c2)c1CCC 440090035 SMOGBHZKYGLOHL-UHFFFAOYSA-N 449.536 5.359 30 20 IKED CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 442531672 CWYXLKIEFRXYAI-LYHRCORUSA-N 435.593 5.095 30 20 IKED C=CC[C@H]1N(C(=O)[C@@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)CCCC1(C)C 443868237 MZZFAHADZSCUCV-HZPDHXFCSA-N 433.643 5.229 30 20 IKED CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 460266341 SDYKCJNIWMSDIT-NRFANRHFSA-N 439.567 5.151 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c[nH]nc1-c1ccc(F)cc1 461993458 LONGNYYZLMBQQO-UHFFFAOYSA-N 426.451 5.227 30 20 IKED C=CCN(C(=O)CSc1ncc[nH]1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 463199927 BFMAFUWFORREOR-UHFFFAOYSA-N 425.366 5.151 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(C)CCc1cccc(Br)c1 463740284 SLTJGKDMARFXNR-OAHLLOKOSA-N 432.387 5.407 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1nnc(-c2ccccc2)s1 463792550 YRCOERUVORWFTR-UHFFFAOYSA-N 435.578 5.162 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCC(c3cccc(Br)c3)CC2)c1 466792776 WDNOCESPGAEIGV-UHFFFAOYSA-N 441.369 5.276 30 20 IKED N#C[C@@H](NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1Cl 468998053 NMYGWHBDKJZIGQ-QGZVFWFLSA-N 449.725 5.401 30 20 IKED Cc1cc(C)c(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c(O)n1 469176744 MEUZFRSNUUPXLN-UHFFFAOYSA-N 427.382 5.339 30 20 IKED O=C(C1CCC(F)(F)CC1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469765006 RDKCBXLPFIJMAD-HNNXBMFYSA-N 445.350 5.450 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CSCc1cc(Br)cc2cccnc12 470508481 CZBKSMPYMYGYKU-UHFFFAOYSA-N 446.757 5.394 30 20 IKED Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470775365 YEEBVZCMUMIYAX-UHFFFAOYSA-N 448.910 5.139 30 20 IKED N#Cc1ccc(-c2nnc(CN[C@H](c3ccccc3)c3ccc(Cl)c(Cl)c3)o2)cc1 471606204 MIJUAKYUZZGGSG-JOCHJYFZSA-N 435.314 5.794 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 476119708 IYRSNSAPBISBHP-UHFFFAOYSA-N 432.524 5.561 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@H](CC2CCC2)c2ccccc2)CC1 479476265 XHFFJKUUUKNAEG-OAQYLSRUSA-N 444.535 5.070 30 20 IKED C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 480306127 JOWIXYQWWZMSSY-JXFKEZNVSA-N 431.458 5.526 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1cccc2ccccc12)C(F)(F)F 482420786 XNANAGJVRHCYHT-JOCHJYFZSA-N 441.453 5.173 30 20 IKED C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 483301314 UJLHFJIXXMCHCR-UHFFFAOYSA-N 427.932 5.061 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(COC(F)(F)F)cc3)n2)cc1 483519577 QKGDHWLFZSNOBK-QGZVFWFLSA-N 427.407 5.208 30 20 IKED Cc1csc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1Br 485795977 HZONEFNJXPQXOV-UHFFFAOYSA-N 445.313 5.661 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(F)cccc1Br 487326829 SKFCHAVNCYISFT-UHFFFAOYSA-N 439.284 5.600 30 20 IKED CC(C)c1nn(C)cc1NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 496348460 QGKMADQUNQIIJL-UHFFFAOYSA-N 448.474 5.125 30 20 IKED CC(C)N1CC[C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H]1c1ccc(F)c(F)c1 498670528 YFPDVLYBEZTEOP-FCHUYYIVSA-N 426.511 5.111 30 20 IKED C=CCN(Cc1ccccc1)C(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 502513931 SPKSSKZFXFJKDQ-HXUWFJFHSA-N 445.538 5.466 30 20 IKED N#Cc1ccc(N2CCN(C(=O)c3ccccc3SCc3cccs3)CC2)c(F)c1 505406472 WGWBJBKRFSTJAF-UHFFFAOYSA-N 437.565 5.014 30 20 IKED Cn1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(-c2cccs2)n1 507246390 IRNKBBOQNRZLKY-UHFFFAOYSA-N 448.935 5.505 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(=O)Nc1ccc(SC2CCCC2)cc1 507967484 AQIZMOIYBYNWGS-UHFFFAOYSA-N 440.613 5.042 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](C(F)(F)F)C(C)(C)C1 508818752 VAZNEDDVDAFWHS-FHWLQOOXSA-N 434.506 5.124 30 20 IKED COc1c(C)cc(C)cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 509076690 XNKHFWCLUZRILR-UHFFFAOYSA-N 444.500 5.137 30 20 IKED CN(CCOc1ccccc1Cl)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511373908 SKTUSQWEIRKQAL-UHFFFAOYSA-N 449.938 5.528 30 20 IKED CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(Cl)s1 512988111 UKDFPHPUADXDOY-GOSISDBHSA-N 439.924 5.271 30 20 IKED COc1ccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1NC(=O)C1CCCCC1 513031145 CCFHGLDNWDZFHQ-UHFFFAOYSA-N 437.515 5.141 30 20 IKED COc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1OCc1ccncc1 513314925 PMSLWHMTBBQMRY-UHFFFAOYSA-N 435.483 5.460 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2c(F)cc(F)cc2-c2ccccc2)c1 513463601 OINMDZAXBMKSOO-UHFFFAOYSA-N 440.449 6.335 30 20 IKED CC[C@H]1C[C@@H](CC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)CCO1 513674229 DKZCXWBRPSSCQZ-BBRMVZONSA-N 437.487 5.158 30 20 IKED CC(C)Oc1ccccc1[C@H](C)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 515473273 CFJGEWMDOZOWAU-SFHVURJKSA-N 442.519 5.480 30 20 IKED C=CCc1cc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc(OC)c1OC 515627359 BGDCVKGNXWBRBL-UHFFFAOYSA-N 430.529 5.383 30 20 IKED COc1cccc(Oc2ccc(NC(=O)CCCOc3ccc(C#N)cc3OC)cc2)c1 515740851 PUIFFPOQLMZFAT-UHFFFAOYSA-N 432.476 5.165 30 20 IKED C[C@@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 518668261 XXDWGJLIQYFAPK-VQTJNVASSA-N 445.588 5.956 30 20 IKED N#C[C@H](C(=O)c1ccc(Br)c(F)c1)c1nc(-c2c(F)cccc2F)cs1 519348930 NBVJSSWPPVINQS-SNVBAGLBSA-N 437.240 5.480 30 20 IKED Cc1nc(-c2ccc([C@@H](C)NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cc2)cs1 519923232 VQDVCIUHINZMLL-GOSISDBHSA-N 432.593 5.919 30 20 IKED CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccccc3SC[C@H](C)C#N)n2)cc1 520824888 GNJMLELYQTUBIR-QGZVFWFLSA-N 434.565 5.683 30 20 IKED N#CCSc1ccccc1NC(=O)CN[C@@H](c1ccccc1)c1ccc2ccccc2c1 521351055 OXXYVJRDCDVAPE-MHZLTWQESA-N 437.568 5.773 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1csc(C2CCCC2)n1 521799294 PWOFCFBGOQYVFX-UHFFFAOYSA-N 430.574 5.589 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1csc(Nc2ccccn2)n1 522875452 KHRHWWDTADITEL-UHFFFAOYSA-N 441.516 5.293 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 523883657 XSCTZPMUJZPPHT-UHFFFAOYSA-N 431.879 5.148 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(-c3ccc(C(C)C)cc3)o2)c1C 524290796 AJJHSFGAUDSZEE-UHFFFAOYSA-N 434.565 5.516 30 20 IKED COc1ccc(Br)cc1CN(C)C(=O)Nc1ccccc1S[C@H](C)CC#N 532956868 XTFGZFVLNZYEJO-CQSZACIVSA-N 448.386 5.516 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(C(=O)Nc4ccccc4)cc3)s2)cc1 534621852 ZGLQWVMQMAKHFR-UHFFFAOYSA-N 438.512 5.110 30 20 IKED COC(=O)[C@H]1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)c2ccccc21 535469770 OXIUCGQVESUTQD-NRFANRHFSA-N 428.513 5.017 30 20 IKED N#CC1(c2ccc(C(=O)Nc3ccc(Oc4nncc5ccccc45)c(Cl)c3)cc2)CC1 539644286 ONYHUALMKPZGNW-UHFFFAOYSA-N 440.890 5.883 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 540198314 YHEPTYDBYGNGJP-UHFFFAOYSA-N 442.906 5.178 30 20 IKED Cc1noc(CCCN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1 541192927 AQJMOGCNHDGFCF-CYBMUJFWSA-N 435.290 5.241 30 20 IKED Cc1nc2c(s1)[C@@H](N(C)C(=O)N[C@H](C)c1ccc(-c3cccc(C#N)c3)cc1)CCC2 543019012 XHODYERPTVYHRB-MWTRTKDXSA-N 430.577 5.770 30 20 IKED C=CCOc1ccc(CNC(=O)c2ccccc2SCc2cn3ccccc3n2)cc1 553066180 QUGOQLAUXCDWLC-UHFFFAOYSA-N 429.545 5.121 30 20 IKED Cc1c(C(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)sc2ccc(C#N)cc12 555957359 DXMANCNJTUTDPM-UHFFFAOYSA-N 446.553 5.308 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3csc(-c4ccc(Cl)s4)n3)CC2)c(F)c1 557120175 CGKLYIWAKNLBML-UHFFFAOYSA-N 447.944 5.219 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)N(CCC#N)c4ccc(F)cc4)cc3)o2)c1 561796256 FFFLWAFBFLRIEH-UHFFFAOYSA-N 426.451 5.412 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1 566879824 SUPMZZQMEGZYHL-QZTJIDSGSA-N 432.549 6.008 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3occc3CSc3ccccc3)CC2)c(F)c1 570749248 NTCAGYXEWPWAQS-UHFFFAOYSA-N 436.508 5.266 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](n4cc(Cl)cn4)C3)cc2Cl)cc1 580501319 XAQYZWHGRASANW-QGZVFWFLSA-N 442.306 5.333 30 20 IKED COc1cccc(/C=C(/CC(=O)Nc2sccc2C#N)c2nc3ccccc3s2)c1 603451904 HRPIVYRXIXAITP-BOPFTXTBSA-N 431.542 5.807 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 603831272 GWUYNQSQCVEJIP-QGZVFWFLSA-N 428.492 5.092 30 20 IKED N#Cc1cccnc1Oc1ccccc1NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 603976831 YJCKGXURXNFDOE-UHFFFAOYSA-N 439.496 5.118 30 20 IKED C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 608110363 SICTZHGTGQIEAN-WUHRBBMRSA-N 427.360 5.060 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1nc(-c2cccs2)oc1C 609061491 OUNOBWBEHLOLSP-UHFFFAOYSA-N 443.528 5.652 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1c1ccccc1Br 610674427 NFUHSDRVZHMGPT-BEFAXECRSA-N 444.398 6.070 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)CC[C@@H]2C)cc1 611556899 UYJSYTDQNFJXJV-HOCLYGCPSA-N 433.430 5.554 30 20 IKED CCCc1c(NC(=O)Nc2ccc3c(cnn3C(C)C)c2)cnn1-c1cccc(C#N)c1 615253146 GQRLOWMDOJVHQP-UHFFFAOYSA-N 427.512 5.271 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 618846945 COSXKSCLCSEOEG-GMAHTHKFSA-N 429.499 5.012 30 20 IKED O=C(CNc1cccc(C(F)(F)F)c1)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 644638134 OKCINURTBSRYLR-UHFFFAOYSA-N 446.326 5.100 30 20 IKED O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674560588 JRNGWJOOWCYYHD-HTQZYQBOSA-N 435.246 5.051 30 20 IKED CC(C)(C)C[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(F)cc1 674615004 NKWYXQUMAQJVGU-QLFBSQMISA-N 428.392 5.685 30 20 IKED C=CCN(C(=O)CN[C@H](C)c1ccccn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 679111089 YSLLTAPODVQDNL-CQSZACIVSA-N 447.391 5.382 30 20 IKED O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 679573352 QPHKSKZTQYYLIH-OCAPTIKFSA-N 426.691 5.146 30 20 IKED N#C[C@@H](C(=O)Cc1cccc(Br)c1)c1nc(-c2ccc(Cl)cc2)cs1 726322036 PNDZNUNMKYPZHC-INIZCTEOSA-N 431.742 5.645 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 727592358 JQYNVUFFDHXNBA-UHFFFAOYSA-N 440.613 5.173 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(O[C@@H](C)C#N)cc1 727684850 ZXEPJQUKYRFQKO-AWEZNQCLSA-N 448.935 5.260 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCc3c(Br)cccc32)cc1 727934361 GBVGNUCRPLMMQH-FYYLOGMGSA-N 446.348 5.914 30 20 IKED C#Cc1cccc(NC(=S)Nc2ccc(N3CCC(OC)CC3)c(C(F)(F)F)c2)c1 727982230 YKXTWONIXMKTHE-UHFFFAOYSA-N 433.499 5.111 30 20 IKED C[C@H](OC(=O)CSc1ccc(C#N)cc1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 728677354 OPBIHKLTJINDFC-JTQLQIEISA-N 443.739 5.181 30 20 IKED Cn1c([C@H](C#N)C(=O)[C@H](Oc2ccc(F)cc2Cl)c2ccccc2)nc2ccccc21 730688120 ZVFPHUCBERDNJC-UZUQRXQVSA-N 433.870 5.362 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(c2cccc(Cl)c2)C(=S)N[C@H]1c1cscn1 731430388 LSZCJYMCSGLHOU-IBGZPJMESA-N 443.956 5.372 30 20 IKED O=S(=O)(Cc1cccc(N=Cc2cc(Cl)cc(Cl)c2O)c1)C1CCCCC1 732621560 KZIMYRYTZMDLDL-UHFFFAOYSA-N 426.365 5.697 30 20 IKED N#Cc1ccc(NC(=S)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)cc1Cl 732624226 IBILZNJRQVRDJO-UHFFFAOYSA-N 448.013 5.268 30 20 IKED N#C[C@@H](NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1)c1ccccc1Br 733267233 UYASANNXUAMVSC-JBVUFVISSA-N 426.701 5.045 30 20 IKED C#CC[C@@H](OC(=O)CSc1ncnc2scc(-c3ccccc3)c12)c1ccccn1 733692507 IRCSJNNOHTXANV-LJQANCHMSA-N 431.542 5.153 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1 734082160 YCMYTBAXVXNWJG-GOSISDBHSA-N 430.558 5.364 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)Cc3csc(-c4cccc(C(F)(F)F)c4)n3)[nH]c12 735793350 SRXWIHPANTXTPA-MRXNPFEDSA-N 440.450 5.433 30 20 IKED CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 741538356 MAOMZGYRXUXXRZ-XMMPIXPASA-N 425.532 5.257 30 20 IKED COc1ccc(OCc2nc(/C=C/C(=O)c3ccc(SCC(F)F)cc3)cs2)cc1 741845155 YIDLJYLKWSOTCB-NYYWCZLTSA-N 447.528 5.984 30 20 IKED CCOc1cc(/C=C\C(=O)c2c(Cl)nc3sccn23)ccc1OCC(F)(F)F 741849591 XSXMNCOILXCTRA-HYXAFXHYSA-N 430.835 5.285 30 20 IKED Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c(Cl)n1 742784682 KDAKERMSYSDXRW-UHFFFAOYSA-N 431.801 5.979 30 20 IKED COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)Nc2cccc(OCC#N)c2)c1 743102936 MCMXNDSTDOOKOR-RUZDIDTESA-N 429.520 5.320 30 20 IKED N#C[C@@H]1C(CN2CCC(Sc3ccc(Cl)cc3)CC2)=CC(=O)n2c1nc1ccccc12 749515897 QFXAZWSQBXTTAL-HXUWFJFHSA-N 448.979 5.134 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1 750597180 GLAZGYINIZCXEM-WWDZGPRUSA-N 446.617 5.238 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3C[C@@H](O)c3cccs3)cc2)cc1 751001279 VNTNRRWLTBOGQJ-SIKLNZKXSA-N 433.533 5.532 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cncc(-c2ccc(Cl)cc2)c1 757875613 RIAOJXMEUZMOEK-KRWDZBQOSA-N 444.705 5.670 30 20 IKED Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 760151894 GRSFJFVKCPFAEJ-SFHVURJKSA-N 429.545 5.751 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)Nc3ccccc3Oc3ccccc3Cl)CCO2)c1 761826009 WCHZJJAZSGOLSS-HSZRJFAPSA-N 433.895 5.609 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(C)c(Br)cc1C 768780758 AOIKIENRTPHWRC-GOSISDBHSA-N 427.342 5.152 30 20 IKED C=CCn1c(-c2cccc(Cl)c2)nn(CN2CC[C@@]3(C2)OCc2ccccc23)c1=S 769777961 POCSBMLQRZSKTR-QHCPKHFHSA-N 438.984 5.009 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F 769946047 NOOMAOCIDLTKER-IZILLXMLSA-N 448.872 5.758 30 20 IKED N#C[C@H](COC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)Cc1cccs1 772741427 BBUVPMWPEPSQLU-GFCCVEGCSA-N 434.304 5.176 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)ccc1OC 772978112 DKURXVKTAXNZJH-UTKZUKDTSA-N 435.593 5.967 30 20 IKED CCCOc1ccc(-c2nc(C(=O)O[C@@H](C#N)Cc3ccc(F)cc3F)cs2)cc1 774321803 XTXHEJCIEHCCKA-GOSISDBHSA-N 428.460 5.169 30 20 IKED COc1cccc([C@H](NC(=O)Nc2ccccc2O[C@H](C)C#N)c2ccccc2Cl)c1 780672416 DLZMOGKNTKZHGU-MWTRTKDXSA-N 435.911 5.551 30 20 IKED COc1cc(C)c(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1C 783713616 SDTPLXVFMVZESJ-SOFGYWHQSA-N 442.487 5.627 30 20 IKED O=C1/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)CCc2c1cnn2-c1ncccn1 792904453 FKFPXGIQZWDDRT-NTCAYCPXSA-N 436.393 5.154 30 20 IKED Cn1cc2c(n1)CC/C(=C/c1cccc(NC(=O)c3ccc(Cl)cc3Cl)c1)C2=O 794961307 FAEKTBQJASJIHW-ZROIWOOFSA-N 426.303 5.192 30 20 IKED COc1ccc(CNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C(C)C)cc1C#N 797468411 LNDJBHWPWIGVEO-UHFFFAOYSA-N 444.318 5.582 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2C[C@@H](C)CC[C@@H]2c2ccccc2OC)cc1C#N 806364398 VUSFAKNQUXAEPG-HRAATJIYSA-N 436.512 5.140 30 20 IKED Cc1nn(C)c2sc(C(=O)/C=C\c3cn(-c4ccccc4)nc3-c3cccnc3)cc12 806578592 IJRYTIQFARAHFD-KHPPLWFESA-N 425.517 5.087 30 20 IKED N#Cc1cc(C(=O)O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cnc1C(F)(F)F 815476305 STQMAOKGSWEQDQ-OAQYLSRUSA-N 449.388 5.234 30 20 IKED C[C@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1cccc(NC(=O)c2ccccc2)c1 815478234 MRBFBOTVJNASBL-AWEZNQCLSA-N 439.393 5.142 30 20 IKED COc1cc(C(=O)N(O)Cc2cc(Cl)cc(Cl)c2)ccc1OCc1cscn1 901380483 XVGFJXSDFBPDNB-UHFFFAOYSA-N 439.320 5.069 30 20 IKED Cc1c(-c2ccccc2)oc2c(C(=O)N(CC(C)C)c3ccc(C#N)cc3)cccc2c1=O 914510659 SAUMUXVWMYMJIQ-UHFFFAOYSA-N 436.511 5.943 30 20 IKED N#C[C@@H](C(=O)c1cc(Cl)c2c(c1)OCCO2)c1nc2cc(C(F)(F)F)ccc2s1 915105093 YRILIMKZDOFSTI-NSHDSACASA-N 438.814 5.230 30 20 IKED C=CCN(C(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(C)C 915153173 DRFXZLVAWJHQHH-OAHLLOKOSA-N 427.595 5.109 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OCC 915350165 KJZLVVCFEMKXBR-DVECYGJZSA-N 443.547 6.022 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(NC(=O)C3CCC3)c2)cc1 915351713 BNECSZNHCBJDJF-RUZDIDTESA-N 438.531 5.402 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(C4SCCS4)cc3)c2)cc1 916449321 BZEUMVYRRRPKIA-UHFFFAOYSA-N 446.597 6.063 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccc(Cl)cc2)s1 916910566 XWGVHWDZZCVOIT-IBGZPJMESA-N 436.964 6.154 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C)n1-c1ccccn1 917045264 WZDVWBLXFADWEG-MRXNPFEDSA-N 440.450 5.608 30 20 IKED COc1ccccc1[C@H](C/N=C/c1cc(Cl)cc(Cl)c1O)NC(=O)OC(C)(C)C 917559768 VIMFFHQGSJNMSL-PKOLSWDWSA-N 439.339 5.393 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCSc1nc2ccccc2s1 918112814 HCUCQNOHMXWAHP-UHFFFAOYSA-N 446.557 5.785 30 20 IKED Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)s1 919801629 JTHPUCZVMNZIDN-AWEZNQCLSA-N 439.924 5.190 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cc1 919867526 ASRQBYKDNUCJJE-UHFFFAOYSA-N 435.524 5.100 30 20 IKED CCOc1ccc(-c2nc(CC(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cs2)cc1 920105668 KKDJMJTXVPBZGM-FQEVSTJZSA-N 443.528 5.133 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)n1 920328480 SFTUQOHFHLYHRG-HEWZJLJBSA-N 442.949 5.591 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(N2CCOCC2)cc1 920873268 SBPMOWPLGWXNCI-IBGZPJMESA-N 442.519 5.070 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](CC)N(CC)CC)cc2)CCC1 1786450380 AYVRMIUDMTVOSF-XZOQPEGZSA-N 425.617 5.009 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](OC)c3ccccc3)CCC2)cc1 1789451479 JLWCOMBSJCXUGM-RPWUZVMVSA-N 432.564 5.277 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(-c4cnco4)c3)cc2)CCC1 1790711209 QESFHELBSYNHKP-SFHVURJKSA-N 429.520 5.302 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)cc2)CCC1 1792171394 LGDNHPODGGITHL-UHFFFAOYSA-N 447.432 5.142 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cccc(F)c3s1)C2 1798592845 LOGRYDIICCBLHW-BCDXTJNWSA-N 428.573 5.285 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cccc4cnccc34)CC2)C1 1804861949 CVHXGRRNSXQNDF-UHFFFAOYSA-N 433.596 5.072 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2C2CC2)[nH]n1 1814829499 FHROLDJHCUIHQD-HSZRJFAPSA-N 432.568 5.361 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCC3CCC3)CC2)c1 1824354121 AUURDQHNYDBICL-NBGIEHNGSA-N 435.612 5.127 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(F)c2Cl)CC1 1828827680 RGLCTEMWPJNIAF-SIKLNZKXSA-N 446.994 5.481 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@]2(F)CCCC=C2F)CC1 1832981372 UVCLHVGAGSJVOE-CZSZKKDXSA-N 434.571 5.120 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)Nc1ccccc1 10170263 HOFWKNXCLOPRIQ-UHFFFAOYSA-O 430.380 5.894 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2ccccc2C)cc1 11165133 ITUPUKLXWPJTAO-UHFFFAOYSA-O 444.407 6.203 30 20 IKED Cc1ccc(C)c(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(CO)c2)c1 22729779 GHKOENRBDWTUDZ-UHFFFAOYSA-O 433.597 5.258 30 20 IKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(OCc2ccccc2C#N)c1 60016450 UYMOMUGLLBVJRL-KRWDZBQOSA-N 427.529 5.580 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(N[C@@H](C)c2ccccc2)c(Cl)c1 64448506 UOLPFLWZQUXUNM-KRWDZBQOSA-N 449.986 5.811 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2nc(-c3ccccn3)no2)cc1Cl 97404284 ZZNKEWUIIXLFGE-IBGZPJMESA-N 443.894 5.012 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1nc(-c2ccncc2)cs1 110536890 YUGFLYPPMHPEII-UHFFFAOYSA-N 428.542 5.158 30 20 IKED CC(C)[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1nc(-c2ccncc2)no1 236801976 OOQXSXZEJVYDKC-DEOSSOPVSA-N 439.519 5.069 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(NC(=O)c4ccccc4)nc3)c2)cc1 304054776 PJEZXOTXTOXPSG-UHFFFAOYSA-N 448.482 5.037 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccc(Cl)c(N3CCNC3=O)c2)cc1 410159192 MWAOJKNVFKFPTB-UHFFFAOYSA-N 448.935 5.145 30 20 IKED Cc1ccccc1NC(=O)[C@H]1CCc2ccccc2N1C(=O)c1cccc(SCC#N)c1 429788746 QOYRTZHEMBSHIQ-XMMPIXPASA-N 441.556 5.211 30 20 IKED N#CCCC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1ccccc1 431465389 NXLPQMUWDIIMJN-LAUBAEHRSA-N 431.367 5.306 30 20 IKED N#CCCC[C@H](NC(=O)NCCCc1ccc(Br)cc1F)c1ccccc1 431959637 WCXFAAXGKSHFCS-FQEVSTJZSA-N 432.337 5.255 30 20 IKED N#Cc1cnc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c(Cl)c1 432539227 AIMXUAFCLGOCMR-UHFFFAOYSA-N 431.710 5.151 30 20 IKED CCCc1c(NC(=O)Nc2cc(-c3ccco3)nn2C(C)C)cnn1-c1cccc(C#N)c1 433922603 MLCPFISTPCQRNJ-UHFFFAOYSA-N 443.511 5.378 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1 438045085 QRRZUVWZNARDKC-ZIAGYGMSSA-N 425.489 5.010 30 20 IKED Cc1cccc(Oc2ccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cn2)c1C 438360945 DWQMTNCUXFUMGC-UHFFFAOYSA-N 442.519 5.438 30 20 IKED N#Cc1ccc(NC(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1C(F)(F)F 438652958 PXVWWWUJXBKHMV-UHFFFAOYSA-N 430.405 5.609 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)cc1F 438659853 FQPGLZPSRLTGKJ-HXUWFJFHSA-N 433.439 5.301 30 20 IKED C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 439399311 WASWYMBVUAEPEC-LJQANCHMSA-N 441.535 5.093 30 20 IKED COCCc1nc2cc(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)ccc2o1 440367178 OQJUCOVDFHJNMA-UHFFFAOYSA-N 442.475 5.633 30 20 IKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccccc1 441757155 HPCMZEHUJIXZGS-QHCPKHFHSA-N 445.494 5.332 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)c12 443878295 AXTZCYINSPLHBI-UHFFFAOYSA-N 441.457 5.515 30 20 IKED CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1cn(CCCC#N)c2ccccc12 444270489 ZWKPZHLUUPRCRR-UHFFFAOYSA-N 436.943 5.089 30 20 IKED N#Cc1cc(NCc2cc(=O)n3ccsc3n2)ccc1Oc1ccc(C(F)(F)F)cc1 462169145 KFJXHSBCDMLBGQ-UHFFFAOYSA-N 442.422 5.051 30 20 IKED CCc1nc2ccc(Cl)cn2c1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 464194491 ZWJFERAPJCOIIL-INIZCTEOSA-N 431.908 5.035 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cncc(-c4ccc(C)cc4)c3)n2)cc1 467070518 DYVPVHTVFQAMHP-JOCHJYFZSA-N 425.513 5.679 30 20 IKED Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 468314293 DCQMDBKOUPIROX-HXUWFJFHSA-N 432.568 5.321 30 20 IKED N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC(Cc3cc(Cl)ccc3Cl)CC2)cc1 472269785 YBNXAPMIPCNHAB-FQEVSTJZSA-N 426.347 5.029 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)o2)cc1 473399357 QMOPTTCSYXAERV-UHFFFAOYSA-N 440.503 5.387 30 20 IKED C=C(C)Cn1c(S[C@H](C)C(=O)c2ccccc2C(F)(F)F)nnc1-c1ccncc1 473780104 IBLMKPYGCNYVNL-CQSZACIVSA-N 432.471 5.299 30 20 IKED Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1 474137328 PHYQQKXHLDRARJ-FQEVSTJZSA-N 435.549 5.171 30 20 IKED COc1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(OC)c(C)c1OC 478626357 UIVSKGFTTWJVAK-UHFFFAOYSA-N 432.476 5.132 30 20 IKED Cc1ncc(-c2ccccc2)cc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 479046004 MWSRAEBRAYTIJH-UHFFFAOYSA-N 430.483 5.143 30 20 IKED C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 480604009 UDWRJPQMEPGLMK-KSSFIOAISA-N 435.421 5.471 30 20 IKED CN1CCC[C@@H](CNC(=O)c2c(F)c(F)cc(F)c2F)[C@@H]1c1ccc(C(F)(F)F)cc1 480854741 FEIPFGKFPGTOJW-BUXKBTBVSA-N 448.382 5.075 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(=O)Nc1ccccc1 481304010 XEKTVYKLWJNPEP-OAHLLOKOSA-N 434.883 5.153 30 20 IKED C[C@@H](Sc1nnc(Cc2cccs2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 488850948 IBWFDXLKAHLOIH-GFCCVEGCSA-N 444.607 5.043 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)c3nc(O)c4c(C)c(C)sc4n3)o2)cc1 489801465 ALLRXLHYLZXHIJ-ZDUSSCGKSA-N 440.550 5.482 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccncc4)c3C(F)F)n2)cc1 489862967 HHRQRUDESZQGRW-MRXNPFEDSA-N 435.459 5.127 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](CN4CCCCCC4)C3)cc2)cc1 491491843 STAGEHQKSJVHNS-JOCHJYFZSA-N 432.568 5.470 30 20 IKED CCC(C)(C)NC(=O)c1ccc(NCc2cc(C#N)ccc2Br)cc1Cl 492558048 KFDHHJXHIVWRQV-UHFFFAOYSA-N 434.765 5.505 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F)c1nc2ccccc2s1 499581590 HSZHDMORELIDBH-JTQLQIEISA-N 447.829 5.039 30 20 IKED Cc1cc(Br)ccc1N(C)C(=O)c1ccc(COc2ccccc2C#N)o1 500997943 KZPYNAYKBPEELD-UHFFFAOYSA-N 425.282 5.078 30 20 IKED Cc1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c2cnn(C(C)C)c2n1 501474434 HWBFRDOFVPBMJV-UHFFFAOYSA-N 439.519 5.218 30 20 IKED CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 502185082 GOAXTHBBISQISM-UHFFFAOYSA-N 446.595 5.094 30 20 IKED COc1ccc(COCc2cccc(NC(=O)[C@H](Oc3ccccc3C#N)C(C)C)c2)cc1 502438267 JAVMJOAAYWHMKO-AREMUKBSSA-N 444.531 5.326 30 20 IKED C=CCN(C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)c1nc(-c2ccccc2)cs1 502561341 QIWAAHCNWIHRHF-UHFFFAOYSA-N 425.517 5.009 30 20 IKED C=CCc1cc(-c2nc(-c3cccc(OCc4cccnc4)c3)no2)cc(OC)c1OC 504808814 FJHRILSEAURRPM-UHFFFAOYSA-N 429.476 5.123 30 20 IKED Cc1nc(C)c(-c2csc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)n2)s1 508459731 XCPLPPLRIJRCEV-UHFFFAOYSA-N 446.557 5.586 30 20 IKED N#CCCCCNC(=O)NC[C@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 509360958 YGDZGAJONHVWAJ-XMMPIXPASA-N 436.559 5.960 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccccc3)C2)cc1Cl 510025408 DDMJRUUOFGZESO-VWNXMTODSA-N 431.923 5.601 30 20 IKED CCN(C(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C)c1ccc(C#N)cc1 510381970 XQMNJCXOVIKRPU-UHFFFAOYSA-N 443.576 5.896 30 20 IKED Cc1c(C(=O)Nc2cc(C#N)ccc2OC(C)C)cnn1-c1cccc(C(F)(F)F)c1 511410624 LGNFMDWGIFVFQF-UHFFFAOYSA-N 428.414 5.111 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C(C)C)cc1 511497580 LPGYGSZFPISSNF-UHFFFAOYSA-N 431.492 5.574 30 20 IKED N#C[C@@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1ccc(C(F)(F)F)cn1 513144857 WUSXUYIMHDAMDM-LJQANCHMSA-N 433.389 5.912 30 20 IKED N#C[C@@H](C(=O)c1sc(-c2ccco2)nc1-c1ccccc1)c1ccc(C(F)(F)F)cn1 513191209 GXHXUUMJVLNVLZ-OAHLLOKOSA-N 439.418 5.974 30 20 IKED CC1(C)CC(=O)c2sc(NC(=O)c3cccc(COc4ccccc4C#N)c3)nc2C1 513463191 JXAGXFXZKHNNEB-UHFFFAOYSA-N 431.517 5.001 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCOc2cccc3ccccc23)cc1 517434093 MOUPRELWHSDEBE-UHFFFAOYSA-N 438.552 5.813 30 20 IKED Cc1cc(C)n(-c2ccc(CCNC(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)n1 517529002 FNVUUPXYJAHMDD-IBGZPJMESA-N 433.581 5.248 30 20 IKED N#C[C@H](C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1nc(-c2c(F)cccc2F)cs1 518870503 AUQMQJBNWJFZOA-GFCCVEGCSA-N 425.372 5.233 30 20 IKED C[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1nc(C(C)(C)C)cs1 520746505 AUTITNLDHJDEES-NSHDSACASA-N 426.464 5.136 30 20 IKED CCN(Cc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 521839914 OFYAWWNKDUTLMB-UHFFFAOYSA-N 432.911 5.518 30 20 IKED C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1 522636094 MQONEQMZQXIZKL-QWFCFKBJSA-N 437.971 5.481 30 20 IKED CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 522660003 WMORNYVSQGOVSH-NRFANRHFSA-N 427.548 6.164 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 524200692 UTPATCIYBHSHRH-KRWDZBQOSA-N 433.487 5.088 30 20 IKED CC(=O)c1ccc(OCCCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1 524387435 DXIOBBPDMSYFDX-UHFFFAOYSA-N 428.488 5.138 30 20 IKED COCCN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccccc1SC[C@@H](C)C#N 524565213 LPUJUMUDSJDXHC-HNNXBMFYSA-N 435.952 5.411 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)CCc3nnc(-c4ccc(Cl)cc4)o3)c2C#N)C1 531888603 IJMVDKHVTQQQOP-LBPRGKRZSA-N 426.929 5.019 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)N1CC=C(C(F)(F)F)CC1 535303616 VIRYSHODWIYSAU-UHFFFAOYSA-N 436.274 5.373 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl 538689826 KGBGMGWSAOARHB-UHFFFAOYSA-N 440.286 5.026 30 20 IKED CCSc1ccc([C@@H](C)NCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 539303291 GCPXKANRDDJODA-QGZVFWFLSA-N 436.581 5.019 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCCNc2ccccc2F)cc1 541436084 NVKRRKKBDQXMND-UHFFFAOYSA-N 432.499 5.094 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 541749198 CZOLYYPRKRMWFE-ISKFKSNPSA-N 446.547 5.640 30 20 IKED Cc1ccc(CC(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)cn1 542161226 VYFZEFQMVFQDKG-HNNXBMFYSA-N 444.297 5.390 30 20 IKED N#Cc1ccc(CN(C(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)C2CC2)cc1 542296468 KEGKNRDPTCBOBI-UHFFFAOYSA-N 442.302 5.237 30 20 IKED COc1ccc(COc2ccc(-c3noc(CSCc4ccc(C#N)cc4)n3)cn2)cc1 544336628 QYIPWVJEZOEVAY-UHFFFAOYSA-N 444.516 5.024 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N 544481993 DZOUMYFOGBWMCH-OCCSQVGLSA-N 426.517 5.017 30 20 IKED N#CCCn1cc(/C=C\c2nc(-c3ccccc3Oc3ccccn3)no2)c2ccccc21 547072429 JAVFACUPLKGGKS-YPKPFQOOSA-N 433.471 5.963 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](c2ccccc2C)C1 549253067 YFHZGXFTSPCGLP-XXBNENTESA-N 436.531 5.020 30 20 IKED Cc1cc(-c2nnc(N3CCC(CC#N)CC3)n2CCc2ccccc2)c2ccccc2n1 549565377 REXICRJLKPTXBM-UHFFFAOYSA-N 436.563 5.175 30 20 IKED CCOC(=O)C(C)(C)C1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 554211667 MKIFPONRFAUKHH-UHFFFAOYSA-N 435.524 5.184 30 20 IKED Fc1cc(C(F)(F)F)c(F)cc1CNC1(c2cccc(C(F)(F)F)c2)CCOCC1 554263780 LFGFAIIJJODCHV-UHFFFAOYSA-N 439.346 5.798 30 20 IKED O=S(=O)(Cc1ccc(C(F)F)cc1)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 555338762 NIZPZWFITZXHOJ-AWEZNQCLSA-N 447.347 5.366 30 20 IKED CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1 559714468 FZMQCGAQXNYWKZ-KRWDZBQOSA-N 449.551 5.040 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccccc3NC(=O)c3cccs3)cc2)nc1 561845059 XFWKHMRCRMXORL-UHFFFAOYSA-N 440.484 5.312 30 20 IKED CC(C)(C#N)c1ccc(-c2nc(-c3cccc(NC(=O)c4ccccc4F)c3)no2)cc1 568562541 QOAUMFXDJJSSDQ-UHFFFAOYSA-N 426.451 5.596 30 20 IKED C=CCn1c(Cc2cccc3ccccc23)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 572766892 QERARZMMMCLIRC-WHUARKNTSA-N 444.604 5.143 30 20 IKED O=C1NCCCN1c1cc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F 575832099 TWZUFTHZJVIQTR-UHFFFAOYSA-N 435.343 5.395 30 20 IKED N#Cc1cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)ccc1F 579503945 RUQBKDWJPIPLKH-UHFFFAOYSA-N 433.870 5.082 30 20 IKED N#C[C@@H](C(=O)c1cnc(Cc2ccc(F)cc2)s1)c1nc2cc(Cl)ccc2s1 589244797 GOWSCPPOFQKVIA-AWEZNQCLSA-N 427.913 5.626 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CC[C@@H](Oc4ccccc4Cl)C3)cc2)ccn1 589365008 FOWAUFHSAISMBM-HXUWFJFHSA-N 434.883 5.084 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCc1nc(-c2ccsc2)no1 603532970 IWUSQVVLLIJEKR-UHFFFAOYSA-N 446.507 5.283 30 20 IKED N#Cc1cc(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)ccc1Cl 603952140 FBOXLTMGHRXHHJ-DHLKQENFSA-N 443.934 5.330 30 20 IKED CCOc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1OCC 604449961 CGRGJHBGHOZOTF-UHFFFAOYSA-N 432.524 5.130 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](Nc4ccccc4)C3)cc2Cl)cc1 609207281 NTANANCISOUIMD-HXUWFJFHSA-N 432.911 5.722 30 20 IKED C[C@@H](C#N)CSc1ccccc1N[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1 609387237 UOUVTANOGXVXBP-VQTJNVASSA-N 429.589 5.645 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(Br)s3)cc2)c1 609434281 OTSPKQDQRPNYAZ-UHFFFAOYSA-N 428.311 5.496 30 20 IKED Cn1cnnc1Sc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 609515405 SPOGZSKKCWECBJ-UHFFFAOYSA-N 441.516 5.077 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(Br)ccc2F)cc1C 609516288 WJBNCKXWNYBIMG-UHFFFAOYSA-N 441.304 5.235 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cccc(Cn3cccn3)c2)c1 609723267 YVQOESGPLZIYHZ-UHFFFAOYSA-N 428.879 5.501 30 20 IKED CC(C)c1nc(CCNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cs1 609731334 GTJFBFCDUBNQSL-UHFFFAOYSA-N 425.941 5.556 30 20 IKED CCCc1nc(C[S@](=O)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)cs1 609742947 DHGJRLDUHQCJPZ-SSEXGKCCSA-N 440.590 5.004 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2ccccc2)cc1C 609774073 RILOHSBZBWWDDF-UHFFFAOYSA-N 431.492 5.702 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3ncoc3-c3ccccc3Cl)c2)c1 610224188 HAWNXMOZMNELCP-UHFFFAOYSA-N 429.863 5.698 30 20 IKED Cc1nc2ccnn2c(C)c1CCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N 610231070 LJMZAWRUTYGSDJ-UHFFFAOYSA-N 443.938 5.037 30 20 IKED Cc1[nH]nc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1-c1cccc(Cl)c1 610354647 WFFPSCIZLISJHZ-UHFFFAOYSA-N 442.906 5.742 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)NCc1cccc(OCc2ccccn2)c1 611492514 NWRVDJRYLMVXKY-UHFFFAOYSA-N 435.483 5.255 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 612795065 QMRSUKBUEXCTKU-UHFFFAOYSA-N 434.952 5.478 30 20 IKED Cc1onc(-c2ccccc2)c1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613404337 LGMWXYBFMBALTE-AWEZNQCLSA-N 427.407 5.769 30 20 IKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)nn2-c2ccccc2)cc1 614439684 CZTIFLBDJZCECS-HXUWFJFHSA-N 434.455 5.179 30 20 IKED O=C(c1ccc(-c2ccc(F)cc2)s1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618297181 DEXCDQSLGLSWAR-TXEJJXNPSA-N 425.369 5.757 30 20 IKED CC(C)c1ccccc1N(C(=O)CCc1ccc(C#N)cc1)c1nc2ccccc2s1 619122979 GGJGTZXPCPWDFW-UHFFFAOYSA-N 425.557 6.589 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)C[C@H](NC(C)=O)c2ccc(Cl)cc2)c1 728181349 CLERZLWZUICFPO-QHCPKHFHSA-N 436.964 5.184 30 20 IKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(CCCCC#N)C2=O)cc1 728776491 CDKCDIVRMJWQEC-QFIPXVFZSA-N 448.592 5.266 30 20 IKED N#CC(CCOC(=O)CCCc1ccc2nc(O)[nH]c2c1)(c1ccccc1)c1ccccc1 730373904 DMOQQOHCKOVMTC-UHFFFAOYSA-N 439.515 5.034 30 20 IKED C#CCOc1ccc([C@@H](C)OC(=O)COc2ccc(C3SCCCS3)cc2)cc1 730426087 ROHBWLUXHYBWIK-QGZVFWFLSA-N 428.575 5.251 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc2ncccc12 730997442 VMYPHGKFGUPIBK-UHFFFAOYSA-N 437.468 5.060 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1Cc1ccccc1 731063539 POJUZVHZDNPYQQ-IBGZPJMESA-N 444.556 5.467 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C(C)(C)c1ccc(Cl)cc1 731074531 OWXARKHIQSZWCM-HNNXBMFYSA-N 430.957 5.051 30 20 IKED N#C[C@H](NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1ccc(F)cc1 733622666 WRBUFMTYVXLCNZ-FQEVSTJZSA-N 433.533 5.722 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(CCc2cccc(F)c2)C2CC2)c1=S 733789626 YZNKTZOMTGHBMW-UHFFFAOYSA-N 438.572 5.079 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)c1 733807961 XOWUTMBHPIIYRX-JOCHJYFZSA-N 435.474 5.235 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)ccc21 734705532 LHDBUMNQZGYVCH-ZDUSSCGKSA-N 448.832 5.251 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cc(Cl)ccc2C(N)=O)c1 734999729 XZBQRGIJSWRLQV-UHFFFAOYSA-N 426.259 5.009 30 20 IKED CN(C)c1cccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1 735566875 CIPFXFWJYXOEPA-HSZRJFAPSA-N 427.508 5.181 30 20 IKED COc1cc2cc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)[nH]c2cc1OC 735770082 QSGQJISCGLTSRL-LBPRGKRZSA-N 445.422 5.304 30 20 IKED C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 739159201 IAELBXCUFYQKMR-LIRRHRJNSA-N 439.462 5.756 30 20 IKED O=C1NC(=Nc2cccc(C(F)(F)F)c2)S/C1=C\c1ccc(Oc2cnccn2)cc1 743058491 HVRXAVDPRIJWOA-YVLHZVERSA-N 442.422 5.179 30 20 IKED Cc1cccc(C2(O)CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)c1C 743093148 MZUUEIYRKNRHDN-VWLOTQADSA-N 439.559 5.474 30 20 IKED COc1ccc(Cl)cc1NCCC(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 744036044 WOUJTOVKGHADKK-KRWDZBQOSA-N 425.941 5.459 30 20 IKED COc1ccc(Cl)cc1NCCC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 744061769 OHHDBLJOPTYCRN-KRWDZBQOSA-N 436.924 5.022 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1C(F)(F)F 744075741 VUOMDEGLUMXLEN-DGCLKSJQSA-N 436.405 6.087 30 20 IKED CCC(CC)(C(=O)OCc1nnc(-c2cccc(C#N)c2)o1)c1ccc(Cl)c(Cl)c1 744956497 NBDUSPCAMHSOJO-UHFFFAOYSA-N 444.318 5.716 30 20 IKED C#CCOc1cccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)c1 748946565 FSGSHBHCUQDQGJ-JOCHJYFZSA-N 429.520 5.846 30 20 IKED C=CCC[C@H](NC(=O)N1CCC(OC[C@@H]2CCCO2)CC1)c1ccc(C(F)(F)F)cc1 749869712 GJWDIKIAUUMYFR-SFTDATJTSA-N 440.506 5.082 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccc2ccccc2c1 753390661 RHQPZWJSANAQRC-IFXJQAMLSA-N 427.529 5.409 30 20 IKED N#C[C@H](C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)c1nc(-c2ccncc2)cs1 754531779 VJHFRADIIJUFAW-OAHLLOKOSA-N 444.343 5.741 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3c(Cl)ccc(Cl)c3Cl)cc2)c1 761658997 PRAHNVJXVCBZCZ-UHFFFAOYSA-N 431.706 6.350 30 20 IKED COc1ccc(/C=C/C(=O)c2ccc(-n3ccnc3C)cc2)c(OCc2cccnc2)c1 766492512 YPAMRIJUJPPEDV-XYOKQWHBSA-N 425.488 5.059 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccc2ccccc2c1 768407628 TXCLJWAQWSDYMQ-GOSISDBHSA-N 444.560 5.316 30 20 IKED COc1ccc(C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1NC(C)=O 771858588 JHWIQOXHNFPONW-HWKANZROSA-N 431.332 5.587 30 20 IKED Cc1cnccc1OC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 772229595 GUONTOGDQFTITA-XMMPIXPASA-N 426.520 5.121 30 20 IKED N#CCc1ccccc1CC(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 776860426 GNEMTXWHSMJOIP-UHFFFAOYSA-N 443.934 5.067 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnc(-c3ccc(F)c(F)c3)s2)cc1 780310025 RKAZUCVIAYLFMM-CXAGYDPISA-N 439.487 5.563 30 20 IKED Cn1nc(C(F)(F)F)c(CN[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c1Cl 782503302 KOJIBCLWLDMGTE-JTQLQIEISA-N 437.718 5.087 30 20 IKED O=C(/C=C\C1CCOCC1)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 783557418 BGWPQNVNEYKTKX-OYADATRGSA-N 449.313 5.427 30 20 IKED CC(=NOCc1ccc(C#N)cc1Cl)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 783984594 NPCNBJHMRNLSJI-UHFFFAOYSA-N 433.821 5.060 30 20 IKED CC[C@@H](NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(Cl)s2)n1)c1ccccc1 787039244 QJKSPOQUGUPHER-UONOGXRCSA-N 429.954 5.115 30 20 IKED C#CCn1ccc(CN(CC)C(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)n1 788822635 CJDWYBZEACOOTG-DEOSSOPVSA-N 437.996 5.041 30 20 IKED N#C[C@@H](C(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1nccc2ccccc12 792091123 JJRQJKVBCHUGRZ-NLFFAJNJSA-N 430.479 6.223 30 20 IKED Cc1csc(SCc2ccc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)cc2)n1 797569615 TVNXBHOZZQVSSC-MRXNPFEDSA-N 427.620 5.988 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)OCCCC2(C#N)CCOCC2)cc1 800103158 QHEPOMLAGYKPQA-UHFFFAOYSA-N 446.547 5.420 30 20 IKED Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cs1 810789583 KJSFKMPTCDNDKF-NRFANRHFSA-N 449.551 5.007 30 20 IKED C=CCNC(=S)/C(=C(/O)c1ccc2c(c1)CCCC2)[n+]1cc(O)cc(-c2ccccc2)c1 811722726 QERSRXQVTGCATO-UHFFFAOYSA-O 443.592 5.212 30 20 IKED N#CCCCn1cc(-c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)c2ccccc21 904508075 NPCOVOHWEMPEOI-UHFFFAOYSA-N 439.450 5.988 30 20 IKED Fc1ccc(-c2noc(-c3cnn(-c4cccc(C(F)(F)F)c4)c3C(F)(F)F)n2)nc1 904942608 XNZQOOZUZTZOIL-UHFFFAOYSA-N 443.282 5.161 30 20 IKED N#CC1(c2ccccc2)CCC(=NNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 916588137 JJQZITOHXPNWNQ-UHFFFAOYSA-N 447.373 5.325 30 20 IKED N#C[C@H](C(=O)CSc1ncnc2scc(-c3ccccc3)c12)c1nc2ccccc2[nH]1 916844666 UJXVKUVQPWWWIF-OAHLLOKOSA-N 441.541 5.203 30 20 IKED Cn1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(Cl)c2ccccc21 916886373 GHAVEQPZJLTUQE-CQSZACIVSA-N 433.867 5.108 30 20 IKED N#C[C@@H](C(=O)/C=C\c1nc2ccccc2s1)C(=O)Nc1ccccc1Oc1ccccc1 916907184 WUPOJEDUXLMVMS-OUFNUQFJSA-N 439.496 5.449 30 20 IKED N#C[C@H](C(=O)/C=C/c1ccccc1OC(F)(F)F)C(=O)Nc1ccc(Cl)cc1Cl 916930952 IDXSYLSXVIUJQZ-OQHXTRMZSA-N 443.208 5.253 30 20 IKED Cc1cccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 916996690 OAMYMDBEHBLBFH-GUYCJALGSA-N 431.344 6.069 30 20 IKED N#C[C@H](C(=O)CCSc1nc2ccccc2s1)c1nc2ccccc2n1C(F)F 917040566 MPEPAEZSJFUVEY-GFCCVEGCSA-N 428.489 5.400 30 20 IKED O=S(=O)(c1ccc(NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1)C(F)F 917059027 DFERELBWEGWHNV-IUCAKERBSA-N 425.341 5.004 30 20 IKED C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 920266923 BJGKKTYLEKHONQ-RISCZKNCSA-N 434.373 5.869 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4occc4c3)CCC2)cc1 1786366054 KDILWIGIQMGSNK-UHFFFAOYSA-N 432.520 5.163 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cccnc4s3)CCC2)cc1 1786366191 QEIKOGWECABODW-UHFFFAOYSA-N 449.576 5.027 30 20 IKED Cc1ncsc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1787425278 MRXPZWHLHSSKGX-MRXNPFEDSA-N 444.560 5.140 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)c(F)c3)cc2)CCC1 1790650195 MUZCNIYKOZCSFH-UHFFFAOYSA-N 432.417 5.006 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc(F)cc(Cl)c3)cc2)CCC1 1792118888 ABKQBVGNJQVDGO-UHFFFAOYSA-N 432.948 5.146 30 20 IKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4cccc(F)c4s3)[nH]n2)C1 1814395171 JGXIXSALCOOMAE-GOSISDBHSA-N 438.528 5.036 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](F)c2ccccc2)n[nH]1 1815550616 XFEUUOPYQBHPEC-PZJWPPBQSA-N 426.536 5.105 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2cc3ccccc3o2)n[nH]1 1818814196 YCFXONLECILSSW-JXVRESAISA-N 444.535 5.055 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(F)c2Cl)n[nH]1 1821121499 ZFRJWUCTXRUPFZ-KXBFYZLASA-N 444.938 5.277 30 20 IKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](CCC)CC2)[nH]n1 1822583967 VBTSUHMECFIUEW-KCZVDYSFSA-N 426.605 5.202 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3[nH]ccc3s2)CC1 1828332251 NKSDGJRIOOUXFN-HXUWFJFHSA-N 441.641 5.455 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3sccc3s2)CC1 1828553663 KEFTZULKXQQRPE-SJLPKXTDSA-N 430.639 5.408 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@]2(F)CCCC=C2F)CC1 1828830350 UHWWUYDQXCBSDY-DNRQZRRGSA-N 434.571 5.120 30 20 IKED Cc1ccccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1829942716 FAPOZDNAEWIOSQ-QHCPKHFHSA-N 449.982 5.067 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(F)c2)CC1 1830485137 PNELRAUGUDGVSI-OFNKIYASSA-N 446.994 5.481 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1831858025 BDSHORVUFCLZEY-JOCHJYFZSA-N 445.563 5.237 30 20 IKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)CC1 1832828014 LFQFWWXDIMKEBY-MHZLTWQESA-N 442.603 5.309 30 20 IKED C[C@@H](C#N)Sc1nc2sc3c(c2c(=O)n1-c1cccc(C(F)(F)F)c1)CCCC3 8642138 UWLWAYRJOPUFGD-NSHDSACASA-N 435.496 5.349 30 20 IKED C[C@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)C(=O)Nc1ccccc1C#N 21459667 HVMKBOXDEDPNFP-NSHDSACASA-N 432.983 5.308 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(Nc2ccc(OC)cc2)s1 23362337 XCONWIRVLZARQD-CQSZACIVSA-N 446.623 5.047 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2ccc(C)c(C)c2)c1 28778613 JDGANWQEVSZUFD-UHFFFAOYSA-O 444.407 6.257 30 20 IKED CCOc1ccc(-n2c(COc3ccc(Cl)cc3C)nnc2SCCC#N)cc1 57502265 ZEIZBHBZVAFJSQ-UHFFFAOYSA-N 428.945 5.213 30 20 IKED N#CCCn1cc(C(=O)COc2ncnc3sc(-c4ccccc4)cc23)c2ccccc21 58127997 KJEQOGQYYMWISN-UHFFFAOYSA-N 438.512 5.488 30 20 IKED CCOc1c(OC)cc(CNC(=O)c2ccccc2Sc2ccccc2C#N)cc1OC 64454796 QGQRVSYUZWUYMC-UHFFFAOYSA-N 448.544 5.055 30 20 IKED COc1ccc(CNc2ccnn2Cc2cccc(Cl)c2Cl)cc1OCCCC#N 237387135 XNMUUWQHKAGFDN-UHFFFAOYSA-N 445.350 5.541 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)c2nn3cc(-c4cccnc4)nc3s2)cc1 302119698 XNVULJNBIXFUPU-UHFFFAOYSA-N 440.507 5.070 30 20 IKED O=C(COc1ccc(C(=O)/C=C/c2ccc(OCC(F)F)cc2)cc1)Nc1ccccc1 303957780 YBKSTSZPTNNAMD-OVCLIPMQSA-N 437.442 5.244 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCO[C@@]4(CCSC4)C3)cc2Cl)cc1 426078597 JRVMCJXOBUPILN-VGSWGCGISA-N 443.956 5.180 30 20 IKED C=CC[C@H](C(=O)NC[C@@H]1CCCN(C(=O)[C@H](CC=C)c2ccccc2)C1)c1ccccc1 427148671 YXNWZNZVUHLMIM-UCGXPXSYSA-N 430.592 5.061 30 20 IKED C[C@H]1CCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@H](F)C(F)(F)F)(C4)C3)CC1(F)F 427676884 CUOOQNJCPVWRNU-YQSVLCHSSA-N 447.410 5.612 30 20 IKED CCCc1c(NC(=O)c2ccc(COc3ccccc3C#N)o2)cnn1-c1ccc(F)cc1 429345327 CFYKYYWPPVOMIY-UHFFFAOYSA-N 444.466 5.260 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 437831351 AYKTZJJFMMHLJF-VWPQPMDRSA-N 439.943 5.201 30 20 IKED CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 437958155 SPKISNZPTOFPFB-PKOBYXMFSA-N 428.330 5.151 30 20 IKED Cc1sc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1-c1ccc(F)cc1 447107286 FVZIFURYZNXKDE-HXUWFJFHSA-N 443.528 6.348 30 20 IKED Cc1ccc([C@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)s1 461655857 KFLIIRJXCGSRAL-NHCUHLMSSA-N 433.581 5.097 30 20 IKED N#CCc1ccc(NC(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)cc1 466141199 WVPAFVNAXBDTDR-UHFFFAOYSA-N 426.398 5.280 30 20 IKED CSc1cccc([C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)c2ccc(F)c(F)c2)c1 466255707 QLRDMHCCLSLQEN-HSZRJFAPSA-N 437.515 5.489 30 20 IKED CN(C)Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1Br 467063743 SNWIZKVNNIYSPW-UHFFFAOYSA-N 434.337 5.302 30 20 IKED CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3cc(-c4cccc(C#N)c4)no3)CC2)cc1 468255083 LSXJEDXKQFXZDL-UHFFFAOYSA-N 441.531 5.147 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 468449431 LIBDDZORJCSLCS-JOCHJYFZSA-N 444.604 5.407 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Sc2ccccc2Cl)nn1 469340486 YIOOHFAMFPXACS-AWEZNQCLSA-N 440.981 5.928 30 20 IKED C[C@@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(OCC2CC2)c(F)c1 469418046 MDILVQKYCQPYJT-LLVKDONJSA-N 442.375 5.202 30 20 IKED CC(C)COc1ccc(C(C)(C)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 470774986 WSYOMZODXPGNDY-UHFFFAOYSA-N 447.579 5.221 30 20 IKED Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1ccccc1-c1ccccc1C#N 477734090 NELFKMNIHOJOHC-UHFFFAOYSA-N 447.542 5.771 30 20 IKED Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 479645704 SSAOTMUFAAGOKT-UHFFFAOYSA-N 434.908 5.475 30 20 IKED CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)[C@H](C#N)c3cnc4ccccc4n3)c12 483220453 XEWVUYYFKSLHPI-MRXNPFEDSA-N 425.492 5.122 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4cnc5ccccc5n4)cc3)o2)cc1 483243084 LVHKOSIDXXYKAB-HXUWFJFHSA-N 431.455 5.145 30 20 IKED Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 485482590 TXGFZEBFZSDJFU-GFCCVEGCSA-N 445.285 5.383 30 20 IKED CCN(C(=O)CCCOc1ccc(C#N)cc1OC)[C@@H](C)c1cccc(C(F)(F)F)c1 499113765 KHOMLPBIDATUNO-INIZCTEOSA-N 434.458 5.354 30 20 IKED Cc1cccc(NC(=O)Nc2cccc3c2N(CCCC2(C#N)CCOCC2)CCC3)c1 499553293 QLLAJOSLLHHGNR-UHFFFAOYSA-N 432.568 5.492 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 503196954 GUZLULPPQHMFJR-RTBURBONSA-N 430.577 6.898 30 20 IKED N#C[C@@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cccc(Cl)c1Cl 505320009 IWCPCJFYPCWEIV-CYBMUJFWSA-N 441.196 5.057 30 20 IKED N#C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1cccc(Cl)c1Cl 505339242 UJGUYFTZQSSITM-INIZCTEOSA-N 434.710 5.615 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1 506046351 VIYHKOXQFJTBQL-UHFFFAOYSA-N 437.971 6.188 30 20 IKED CC(C)[C@H](CNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1 508144666 FNNHKYFIKCIMRX-APWZRJJASA-N 444.000 5.086 30 20 IKED C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(c2c[nH]c3ccccc23)CC1 509010043 GWIVKEAGNTZNDN-DEOSSOPVSA-N 425.536 5.006 30 20 IKED O=C(c1ccc(-c2ccc(C(F)(F)F)cc2)o1)N(CCC(F)(F)F)CC(F)(F)F 509562076 XQSLFWWEHXNVBJ-UHFFFAOYSA-N 433.270 5.922 30 20 IKED C=CCc1cc(CNC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)cc(OC)c1OC 510808565 BSLMCDIJLZXUSP-UHFFFAOYSA-N 438.911 5.203 30 20 IKED COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)[C@@H](C#N)c2nc(C)cs2)c1 513676982 OGWAHUMMUHFWKU-HXUWFJFHSA-N 428.517 5.111 30 20 IKED Cc1sc(NC(=O)c2ccc(C(=O)Nc3sc(C)c(C)c3C#N)s2)c(C#N)c1C 514560107 LCOIJLSINRMLSD-UHFFFAOYSA-N 440.575 5.353 30 20 IKED Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c12 515656039 COLLQAYKCJQQSU-UHFFFAOYSA-N 438.487 5.306 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)O[C@@H](C)C2 517492000 HGUXZHHLHGDBAH-SXNHZJKMSA-N 445.346 5.200 30 20 IKED Cc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(C)c1 517526912 FUVYACJMLOPQCP-LJQANCHMSA-N 427.504 5.126 30 20 IKED C[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccc(OCc2cccnc2)cc1 517535668 JJKSGNPSJYNYHM-QFIPXVFZSA-N 449.554 5.962 30 20 IKED CC(C)OC(=O)C[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1 518256543 ZFHTUNCOIHQGEO-YLJYHZDGSA-N 425.554 5.285 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccccc1)c1ccc2ccccc2c1 518309842 JUEIXPNDSGMFNA-HHHXNRCGSA-N 435.527 5.267 30 20 IKED CCCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H](CC)c1ccccc1 520178510 MNWLJCWFAMNRBQ-HHHXNRCGSA-N 441.575 6.727 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cccc([N+](=O)[O-])c3)cc2Cl)c1 522238416 JTAOHKWDCWOCFW-UHFFFAOYSA-N 436.855 5.021 30 20 IKED C=CCOc1ccccc1C(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 522720093 PMZKIIUNZFWHDL-XMSQKQJNSA-N 432.486 5.083 30 20 IKED Cn1c(CCCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)nc2ccccc21 522928411 CFIOIRQLMUTRLL-UHFFFAOYSA-N 440.572 5.100 30 20 IKED CCC[C@@H](C#N)NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 523283995 NCPZWWHCVLKVFO-KRWDZBQOSA-N 446.498 5.004 30 20 IKED CN1CCC[C@@H](CNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)[C@@H]1c1cccs1 525571091 KLHGCPWDBKSVJC-GBXCKJPGSA-N 430.577 5.176 30 20 IKED C[C@H](C#N)CN(C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)C1CC1 533596360 JXWTTWASOFVTPN-CQSZACIVSA-N 430.430 5.114 30 20 IKED CC(=O)N1CC[C@@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c2ccccc21 535301612 CZHHDWQYOVMWNF-OAQYLSRUSA-N 444.466 5.109 30 20 IKED C[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(-c2cccnc2)cc1 537125318 JFIXYAAXDOTMCW-MOPGFXCFSA-N 430.577 5.290 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)c3cnn(C(C)C)c3n2)s1 537442843 HAOMTXGULMPBHT-MRXNPFEDSA-N 440.532 5.416 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)o1 542203302 HZCCRZBPZZZFNO-IBGZPJMESA-N 436.336 5.042 30 20 IKED N#CCC1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)(F)F)CC1 543828760 CNWXZTPLAMIWFD-UHFFFAOYSA-N 425.398 5.517 30 20 IKED C[C@H](NC(=O)N1CCC(C(=O)OC(C)(C)C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 543944142 HTIOVLOJLOXYQI-SFHVURJKSA-N 433.552 5.050 30 20 IKED C=CCOc1ccc(/C=C/c2nc(Cc3nc4ccccc4n3C(F)F)no2)cc1OC 545044107 DUUVMDFUELPEGP-PKNBQFBNSA-N 438.434 5.149 30 20 IKED Cc1cc(C)n(-c2ccc(Cc3noc(-c4ccc(Oc5ccc(C#N)cn5)cc4)n3)cc2)n1 546247759 QSBZRRFYFBZYEE-UHFFFAOYSA-N 448.486 5.189 30 20 IKED COc1ccc(C2(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CCOCC2)cc1 547408726 AJLZUEVLAUXLQB-UHFFFAOYSA-N 428.488 5.046 30 20 IKED N#Cc1ccc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2Cl)cc1Cl 548279072 GCTWUFRAFXVVCN-UHFFFAOYSA-N 426.307 5.102 30 20 IKED N#CC1CCN(c2nnc(-c3cc(Cl)ccc3Cl)n2CCc2ccccc2)CC1 549565068 BLWUWMZUZPNBAI-UHFFFAOYSA-N 426.351 5.235 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3cnc(OC4CCCCC4)c(Cl)c3)CC2)c1 550346835 WWOJWUZGJWHHJN-UHFFFAOYSA-N 439.943 5.002 30 20 IKED COc1cc(CNC2(c3cccc(C#N)c3)CC2)ccc1OCCOc1ccccc1Cl 556409638 YSEDTWFDCCJRED-UHFFFAOYSA-N 448.950 5.457 30 20 IKED C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC(C(F)(F)F)CC1 558983936 HAZXXCRXNBAARA-UHFFFAOYSA-N 429.284 5.062 30 20 IKED C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC#N)CC2)n1Cc1cccs1 559163652 DIIMEGICNYOWNJ-INIZCTEOSA-N 441.988 5.311 30 20 IKED COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)Sc2cccc(F)c2C#N)cc1 564035675 YGPKRVREXFKSOF-HNNXBMFYSA-N 449.507 5.078 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1ncsc1Br 566641551 OPRUCWQLANDJNE-UHFFFAOYSA-N 430.302 5.072 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(Oc3ncccc3F)CC2)cc1 567013593 XCSKTFAYQOXSFB-UHFFFAOYSA-N 447.535 5.068 30 20 IKED Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N(CCC#N)CCC(C)C)c12 569391549 RQBSCPMWEMLVFC-UHFFFAOYSA-N 444.457 5.619 30 20 IKED CN1CC[C@H](CNCc2ccc(C#N)cc2C(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 578404087 DIMKHPYUHDQLPG-UZLBHIALSA-N 425.857 5.152 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)cc1 580375847 VVIOXKIIYUISIB-OAQYLSRUSA-N 444.560 5.727 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1C 584428593 FTCFXZCVFVDHPI-UHFFFAOYSA-N 437.588 5.055 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC[C@H](c2cccc(F)c2)C1 591562168 WNCQUDDJPQDOQH-BFHYXJOUSA-N 426.376 5.234 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCCc1nc(C(C)(C)C)no1 603619078 KORADQFPEMEHLN-UHFFFAOYSA-N 434.515 5.242 30 20 IKED CC(=O)N1CCc2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)ccc21 603766735 VOVIKSPPYRYRJA-QFIPXVFZSA-N 429.907 5.157 30 20 IKED Cc1cccc(-c2nc(CC(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)cs2)c1 603897870 NUKJKROQSVAPLH-UHFFFAOYSA-N 431.439 5.113 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(COc4ccccc4)CC3)cn2)c1 604362138 MEUBAPSDYFOGKP-UHFFFAOYSA-N 428.492 5.068 30 20 IKED C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 606182354 URUBAGZRZIIUQL-LEWSCRJBSA-N 435.330 5.473 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)Cc2ccc(C(F)(F)F)cc2)cc1 606183956 WXWFSUUDYJIYPF-KRWDZBQOSA-N 430.470 5.337 30 20 IKED C[C@@H]1CCc2c(sc3nc(SC[C@H](C#N)CCC#N)n(-c4ccccc4)c(=O)c23)C1 608845770 DZWRKFRRWWBFQO-CVEARBPZSA-N 434.590 5.108 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(OCc2ccncc2)cc1 609178310 OMAUGMQBUBTTJN-UHFFFAOYSA-N 437.524 5.936 30 20 IKED CCn1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nnc1-c1ccccc1 609369699 IDSLMEVEIWRBIC-INIZCTEOSA-N 437.594 5.090 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC(c2ccc(F)c(F)c2)CC1 609385537 ZTPZADCLIDHGHZ-INIZCTEOSA-N 429.536 5.035 30 20 IKED CN(C(=O)c1cccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c1)c1ccccc1 609415065 OVRZSHQJDHHZNM-DEOSSOPVSA-N 425.532 5.255 30 20 IKED CCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H](C)c1cccc(C(F)(F)F)c1 609499768 ZPNAHJRMLBUSFG-MRXNPFEDSA-N 439.437 5.988 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N(Cc3cccs3)C[C@H]3CCCO3)c2)c1 609641166 DEOIMDGLUNLURK-HSZRJFAPSA-N 432.545 5.020 30 20 IKED CC(=O)Nc1c(C)ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1C 609723553 DMSQBHIPFSXKAE-UHFFFAOYSA-N 433.895 5.832 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(F)ccc3SCC(F)F)cc2)nc1 609978223 CKKIVYCREYLIDT-UHFFFAOYSA-N 429.423 5.494 30 20 IKED CN(CC(C)(C)C)C(=O)c1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1 610171998 LBVGHDYEKPBVDV-UHFFFAOYSA-N 442.519 5.116 30 20 IKED COc1cccc2c1OCC[C@H]2NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 610334681 KREJAJGSYLWPDZ-LJQANCHMSA-N 433.439 5.144 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(c4cccc(F)c4F)CC3)cn2)c1 613760552 AGPOQUUWUVQKBT-UHFFFAOYSA-N 434.446 5.435 30 20 IKED C=CCN(Cc1cccs1)C(=O)N[C@H](C)c1ccc(OCc2ccccc2)c(OC)c1 616149551 CRXJMHXZCKZDAT-LJQANCHMSA-N 436.577 5.795 30 20 IKED FC(F)(F)c1nc(N2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)ccc1Br 672227278 DYDYYHFSDMXWLK-OLQVQODUSA-N 431.096 5.040 30 20 IKED O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 678538109 NNHMUZYAEWXMGV-HTQZYQBOSA-N 444.326 5.532 30 20 IKED N#C[C@H](C(=O)c1cn(-c2cccc(Cl)c2)nn1)c1nc2cc(C(F)(F)F)ccc2s1 682010951 HDCVXJSXZHPWLF-CYBMUJFWSA-N 447.829 5.039 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NCc2cn(C)nc2-c2cc3ccccc3o2)cc1 683723298 JJQSMCQZTKBHBI-UHFFFAOYSA-N 426.520 5.260 30 20 IKED CCN(C[C@@H](C)C#N)Cn1nc(-c2ccccc2)n(-c2ccc(OC)c(Cl)c2)c1=S 726963371 COMLPCIIFGHQEV-INIZCTEOSA-N 441.988 5.171 30 20 IKED CCOc1cc(/C=C\C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)ccc1OC(F)F 727267832 SOZNLDGJASHFCR-ALCCZGGFSA-N 436.367 5.016 30 20 IKED C=C(C)COc1cccc(NC(=O)c2ccsc2NC(=O)c2ccccc2Cl)c1 730219120 YKUAJHHJNGSMFB-UHFFFAOYSA-N 426.925 5.861 30 20 IKED Cn1c([C@@H](C#N)C(=O)[C@@H](Sc2cc(F)ccc2F)c2ccccc2)nc2ccccc21 730395212 PVPIWBLQBITWQU-SBUREZEXSA-N 433.483 5.561 30 20 IKED N#Cc1cccc(OCCCCC(=O)Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 731988141 GKSAAOHRBIIEOF-UHFFFAOYSA-N 432.451 5.104 30 20 IKED CC(C)CC(=O)Nc1ccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 733622520 UQIZLMPEYQPPOA-DEOSSOPVSA-N 426.520 5.971 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNCc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)c1 733801258 STPKWRVFLPSGLY-SANMLTNESA-N 436.559 5.819 30 20 IKED O=C(/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(N2CCC(O)CC2)cc1 734234690 BSYFPBPSWADGIH-LUAWRHEFSA-N 434.517 5.181 30 20 IKED O=S(=O)(Cc1ccccc1)Cc1cccc(N=Cc2cc(Br)ccc2O)c1 734749927 RXROJKAHPPTOKZ-UHFFFAOYSA-N 444.350 5.020 30 20 IKED CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 734963613 KQUWXAGXLCULPD-UPVQGACJSA-N 445.950 5.071 30 20 IKED N#CCOc1ccc(Cl)cc1Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O 735230419 BENVDLQUBRAODU-UHFFFAOYSA-N 442.327 5.382 30 20 IKED Cc1cc(F)ccc1-c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1F 735399553 NZHKUWCNKXCPBI-HSZRJFAPSA-N 440.449 6.055 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=S)Nc2ccc(OC(F)F)c(Cl)c2)c1 735628305 VVFKYJMSWWFIPB-CQSZACIVSA-N 425.888 5.109 30 20 IKED CC(C)c1ccc([C@@H](C)CC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 739144083 VUVYNZYUMJQJGV-KXBFYZLASA-N 433.577 5.769 30 20 IKED Cc1ncsc1/C=C1/CN(c2ccc(F)cc2F)C/C(=C/c2scnc2C)C1=O 742434124 FAKQRDBDBLYSHG-IZUVBVRISA-N 429.517 5.051 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)cc1F 742961757 NFJBNMBAZLHBMJ-QFIPXVFZSA-N 443.478 5.123 30 20 IKED COc1ccc2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c(C)c2c1 744025133 GZNHXHBJOQFPAV-INIZCTEOSA-N 446.500 5.494 30 20 IKED C=CCN(Cc1cccs1)C(=O)c1cc(Cl)c(NC(=O)OC(C)(C)C)cc1OC 744354940 JXNHJRTZTPOERW-UHFFFAOYSA-N 436.961 5.586 30 20 IKED CCC(CC)(Cc1nc2ccccc2s1)C(=O)OCc1nnc(-c2cccc(C#N)c2)o1 744723877 KRIPQZWNZXXELM-UHFFFAOYSA-N 446.532 5.310 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2c[nH]c3cc(Cl)ccc23)cc1 745268248 XGLHTNHCLHJDMC-HSZRJFAPSA-N 428.923 5.841 30 20 IKED CN1/C(=C/C(=O)COC(=O)c2ncoc2-c2ccccc2Cl)C(C)(C)c2ccccc21 745405365 UCARKXOSKZCOMW-UDWIEESQSA-N 436.895 5.032 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1C#N 752297535 MOGZRJRBYXUBOQ-HXUWFJFHSA-N 438.484 5.238 30 20 IKED CC(=O)OCCCc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 753717703 BDULJWUIZBNISY-UHFFFAOYSA-N 430.529 5.457 30 20 IKED Cc1ccc(C(=O)CC(C)(C)CC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 760200722 APAYNVLTLXWALH-NRFANRHFSA-N 441.556 5.856 30 20 IKED C[C@@H](OC(=O)c1cc2ccccc2n1CC#N)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 761143603 PVLVDJYVLWBJNB-GFCCVEGCSA-N 441.274 5.440 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CC[C@]3(C2)OCc2ccccc23)c1=S 769778911 UZJXLEPHQBMGQV-HSZRJFAPSA-N 438.984 5.009 30 20 IKED CC(C)[C@@H]1C[C@H]1C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 774270762 GJGLYVCEVMKTHT-NKWVEPMBSA-N 442.240 5.263 30 20 IKED CN(CCCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)C(=O)OC(C)(C)C 777295311 DMJOYTREKAQWNO-MRXNPFEDSA-N 433.961 5.287 30 20 IKED N#Cc1cccc(COc2ccc(NS(=O)(=O)c3cccc(C(F)F)c3)cc2F)c1 780386811 DZHAHZYGKDTZIQ-UHFFFAOYSA-N 432.423 5.015 30 20 IKED C[C@@H]1[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CCN1C(=O)OC(C)(C)C 786448093 ATGXPWOMQXGUEC-KBRIMQKVSA-N 445.972 5.285 30 20 IKED C/C(C=Nn1c(C)nc2scc(-c3ccccc3)c2c1=O)=C\c1cccc([N+](=O)[O-])c1 787154949 NLDXSWCDGGRMGQ-MLXAAUJDSA-N 430.489 5.279 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)Cc3cc(C(F)(F)F)cc(Cl)n3)c2)c1 788640115 CEHCNBDOFQGIPB-UHFFFAOYSA-N 445.828 5.386 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccccc2)c1Br)c1nc(-c2ccccc2)cs1 791779052 WQXWXUSUNONHLF-INIZCTEOSA-N 449.333 5.248 30 20 IKED C[C@H](Cn1ncc2ccccc21)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 793121806 MCWMMMSUISDVNV-DOMZBBRYSA-N 428.439 5.177 30 20 IKED CC(C)[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)C(=O)Nc1ccccc1C(F)(F)F 795981809 FHPYTHSKBDGDNO-UTKZUKDTSA-N 432.442 5.299 30 20 IKED Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2Br)sc2ccc(C#N)cc12 796624991 WQUVZMYLHRKEND-LBPRGKRZSA-N 443.322 5.028 30 20 IKED CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 796756387 LMADZZSWLXSBKB-SWLSCSKDSA-N 441.475 5.041 30 20 IKED FC(F)(F)CCCCNC(=S)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 798374111 DNVURUUWZIWWAS-UHFFFAOYSA-N 430.433 5.573 30 20 IKED C#C[C@H](NC(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1ccc(Cl)cc1F 806269352 BPEISIBWPOEWNQ-KRWDZBQOSA-N 431.254 5.211 30 20 IKED Cc1ccc([C@@](O)(Cc2noc(-c3ccc(C(F)(F)F)c(F)c3C)n2)C(F)(F)F)o1 809452134 YQGDGSMFZKZYNN-INIZCTEOSA-N 438.299 5.097 30 20 IKED C#C[C@@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(Cl)cc1F 809698523 FMIOPTLAXQUQBZ-JOCHJYFZSA-N 427.306 5.849 30 20 IKED C[C@]1(c2ccc(F)cc2)NC(=O)N(c2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1=O 812460726 TWFQZIYJABZTLG-HYBUGGRVSA-N 433.870 5.106 30 20 IKED Cc1sc2ncn(N=Cc3ccc(-c4ccc(Br)cc4)s3)c(=O)c2c1C 863966089 VKTYMTLGVCPZMO-UHFFFAOYSA-N 444.379 5.448 30 20 IKED Cc1ccc(-c2nnc(SCC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)o2)cc1C 913193999 JUSXFAKIMNCCLA-SFHVURJKSA-N 446.557 5.446 30 20 IKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915087533 UYAVTSBSPYUWQA-NTKDMRAZSA-N 443.572 5.349 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccsc2)cc1 915199732 KFMURVQQOOPNNX-HSZRJFAPSA-N 437.524 5.908 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 915353052 KZUZQKXZNCQLTI-VWLOTQADSA-N 438.531 5.225 30 20 IKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3)cc12 916898993 LGWASONZFPWIIF-MRXNPFEDSA-N 434.908 5.010 30 20 IKED N#C[C@@H](C(=O)COc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1Cl 916930621 DZGSVAIPSQRBLM-NSHDSACASA-N 432.090 5.027 30 20 IKED CSc1cccc(N2C[C@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)CC2=O)c1 916974181 FWIXSRMRLYDOHR-YLJYHZDGSA-N 447.585 5.070 30 20 IKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1ccc(-c2ccccc2)o1 917544850 MYMWYGVNMRAAQB-UHFFFAOYSA-N 445.331 5.595 30 20 IKED CCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1C#N 917707119 MISGVZNDUKCSGU-JOCHJYFZSA-N 442.544 5.082 30 20 IKED N#Cc1ccccc1-c1ccc(COC(=O)c2nc(NCc3ccco3)ncc2Cl)cc1 919116742 NDXCSNVHUBCENW-UHFFFAOYSA-N 444.878 5.231 30 20 IKED Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)s1 919801630 JTHPUCZVMNZIDN-CQSZACIVSA-N 439.924 5.190 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCC[C@@H]2c2ccccn2)c1=S 919950313 DTPSELPETDQJRQ-HXUWFJFHSA-N 441.988 5.022 30 20 IKED O=C(Nc1cccc(/C=C2\COc3c(F)cc(F)cc3C2=O)c1)c1ccccc1Cl 920066257 NZABPHYEMDOWFK-RIYZIHGNSA-N 425.818 5.529 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3ccc(Br)o3)n2)cc1 920143315 OZGKDSWPFJZAEM-LYASGUKUSA-N 429.295 5.064 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@H]4c4ccc(F)c(F)c4)cc3)CCC2)C1 1786175582 XTYFVBOPARDGQD-LEWJYISDSA-N 436.502 5.169 30 20 IKED Cc1cc(Cl)c2ccc(C(=O)NC3(c4ccc(NC(=O)CCC#N)cc4)CCC3)cc2n1 1787887700 SAZBPXICXQJIEH-UHFFFAOYSA-N 446.938 5.248 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(cnn4C)c3)CCC2)cc1 1789454104 QBGMNOIMNUGAIW-HSZRJFAPSA-N 442.563 5.089 30 20 IKED Cc1cc2cc(C(=O)Nc3ccc(C4(NC(=O)[C@@H](S)C(C)C)CCC4)cc3)ccc2[nH]1 1790986000 RHLPWQAMNZLHFK-QFIPXVFZSA-N 435.593 5.178 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ncccc3C(F)(F)F)CCC2)cc1 1791249617 VSQBEFMBJHOHAD-HNNXBMFYSA-N 431.458 5.060 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@H]4Sc5ccccc5[C@@H]43)CCC2)cc1 1791728999 LDYZXFLDASXUGT-DSITVLBTSA-N 444.600 5.202 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](c1ccc(F)cc1)C(C)C)C2 1798594434 IXQXWUKQOARUIO-BJESRGMDSA-N 428.592 5.196 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(-c2ccccc2)s1 1798948824 FSPXJRBCEDPRNG-ACDBMABISA-N 437.609 5.054 30 20 IKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)CCCCCC(C)(C)C)[C@@H]2c2cccnc2)C1 1802413087 KVNOAKIPLYVTLK-ZJSXRUAMSA-N 425.617 5.050 30 20 IKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)CCc3ccc(C)c(F)c3)C2)CC1 1805943511 PNABLYSZAQBOJU-UHFFFAOYSA-N 440.603 5.066 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccsc2)n[nH]1 1815980228 IRBVAIIDJAIOKE-YXBWYFRISA-N 426.586 5.169 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2csc(C)c2C)n[nH]1 1816614567 PLJAUQMMKKQGED-YLJYHZDGSA-N 426.586 5.162 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(C)ccc3[nH]2)n[nH]1 1818562944 WMVRMABSRJJKAZ-HSZRJFAPSA-N 445.567 5.274 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3occc3c2)n[nH]1 1818705649 BBUFANZREWMQAM-CTNGQTDRSA-N 432.524 5.230 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2F)[nH]n1 1819307840 OQKHKSOBLYARQI-HTAPYJJXSA-N 449.530 5.104 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)c(F)cc2F)n[nH]1 1821067984 RYCSUQNDSOCXNA-IBGZPJMESA-N 448.489 5.125 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)[nH]n1 1821921571 SIPCEDPENFRIMM-YWQQVWADSA-N 426.605 5.221 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c(-c4ccc(C)cc4)c3)CC2)C1 1825423038 RBOSQLSBGAKEOY-SANMLTNESA-N 445.607 5.190 30 20 IKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)CC1 1829904110 PPVFEPHJLQLDGG-FQEVSTJZSA-N 435.395 5.030 30 20 IKED CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)CCCC1 1830720908 MNNWFFCXIPNGRN-JOCHJYFZSA-N 442.003 5.025 30 20 IKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 1831849712 CETMHSZGBXXHPM-NRFANRHFSA-N 440.584 5.077 30 20 IKED Cc1ccc(N/C(S)=C(\C(=O)c2cc(C)n(C)c2C)[n+]2ccc3c(c2)CCCC3)cc1 10173208 WMBXMZNXHKKKQP-UHFFFAOYSA-O 432.613 5.168 30 20 IKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1C 10996739 NPESTGGNHKXSJJ-UHFFFAOYSA-N 448.592 5.690 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2cc(C)ccc2C)cc1 22729785 HUCGIBLPROJIEA-UHFFFAOYSA-O 431.625 6.328 30 20 IKED CC(C)c1ccc(CSc2nnc(SCC(=O)N[C@](C)(C#N)C(C)C)s2)cc1 26093158 UZIRXFUTYWIPOW-HXUWFJFHSA-N 434.656 5.100 30 20 IKED CCC(CC)(Cc1nc2ccccc2s1)C(=O)N1CCCN(c2ccccc2C#N)CC1 58275030 FADMBIBUKDTKBR-UHFFFAOYSA-N 446.620 5.256 30 20 IKED COc1ccc(S[C@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 116552855 RICKTUQFPYIQPI-MRXNPFEDSA-N 434.517 5.487 30 20 IKED Cc1ccc(Cn2nc(C)c(/C=C/C(=O)c3ccc(OCc4nccn4C)cc3)c2C)cc1 117498861 LBKPFNMMDYLWHI-BUHFOSPRSA-N 440.547 5.065 30 20 IKED FC(F)(F)c1cccc(-c2noc(CN3CCC(C(F)(F)F)(C(F)(F)F)C3)n2)c1 303726430 XSOCSAPDVMMAEY-UHFFFAOYSA-N 433.274 5.072 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3cccc(OC(F)F)c3)cc2F)c1 409926046 ZKEAMRIHPSBDFQ-UHFFFAOYSA-N 426.394 5.059 30 20 IKED CCCn1ccnc1CCCN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 429734557 BHAYJSNWENHPQP-UHFFFAOYSA-N 445.567 5.149 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 430589200 HFTCLCGDUVWDKZ-OAHLLOKOSA-N 441.553 5.692 30 20 IKED C=CCn1c(SCc2ncnn2C(C)C)nc2sc(-c3ccccc3)c(C)c2c1=O 432542384 TWIOAYMRIARAMA-UHFFFAOYSA-N 437.594 5.084 30 20 IKED N#CCCC[C@@H](NCC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1)c1ccccc1 433022655 WSAGNFGESLSHNJ-RSXGOPAZSA-N 431.967 5.570 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 437970096 ALJSRQSSBSYRCE-INIZCTEOSA-N 433.512 5.009 30 20 IKED C[C@@H](Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C(=O)N(CCC#N)c1ccccc1 439569389 HUGOROQDHZMVTH-GOSISDBHSA-N 446.938 5.340 30 20 IKED CCCc1c(NC(=O)N[C@H]2CCCO[C@H]2c2ccc(C)cc2)cnn1-c1cccc(C#N)c1 439677747 KAPKPWIFNDVOFE-DHLKQENFSA-N 443.551 5.047 30 20 IKED COCc1nc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c(-c2ccccc2)s1 440758287 JTHWZPOWLJNHEJ-UHFFFAOYSA-N 447.438 5.022 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cccc(Cn2cncn2)c1)c1ccc(C(F)(F)F)cc1 442219491 WAHXMYPJYZZSKS-HXUWFJFHSA-N 429.446 5.174 30 20 IKED N#C[C@@H](C(=O)c1ncoc1-c1ccccc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 442685852 KRLLNFVFBUFTCN-HNNXBMFYSA-N 440.311 6.262 30 20 IKED N#CC1(c2ccc(-c3nc(CC(=O)Nc4ccccc4Oc4ccccc4)no3)cc2)CC1 445317982 FRSRRVREJKBSRI-UHFFFAOYSA-N 436.471 5.265 30 20 IKED CSc1cccc([C@H](NC(=O)c2c(F)cc(C#N)cc2F)c2ccc(F)c(F)c2)c1 446045405 HVAXCGYKSDVJPB-NRFANRHFSA-N 430.426 5.356 30 20 IKED N#CCCn1cc(CNc2ccc(C(=O)NCc3ccccc3)cc2)c(-c2ccccc2)n1 446882639 GJFGYYWDLYRODX-UHFFFAOYSA-N 435.531 5.006 30 20 IKED Cc1nc2sccn2c1CN(C)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 464812039 TXEYKVMKTHTTAB-UHFFFAOYSA-N 436.924 5.294 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 466068459 NBPWROCPPQDILV-OFVILXPXSA-N 427.504 5.558 30 20 IKED C[C@@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)Oc1ccc(F)cc1 466195781 KBNLPHGPNJVCGL-SFHVURJKSA-N 433.483 5.060 30 20 IKED COc1ccccc1-c1noc([C@H](C)NC(=O)Nc2cccc(C#Cc3ccccc3)c2)n1 466528505 LJFDQHVIXXCQJM-SFHVURJKSA-N 438.487 5.028 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)nnc1-c1ccco1 466748527 YSNPFIQQLFZRBF-NSHDSACASA-N 448.335 5.934 30 20 IKED CCOc1c(Cl)cc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1Cl 467764710 BRCAVHXSMKNQAN-UHFFFAOYSA-N 434.323 5.339 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 467924559 MMRZKNJPHZQPTC-HKBQPEDESA-N 432.589 5.746 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3nnc(-c4ccccc4)s3)c2)cc1 470586414 DFLTZEGERSWHCN-UHFFFAOYSA-N 427.489 5.191 30 20 IKED COCCN(Cc1ccc(C)o1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 470601646 QGNCYXKRCOMVEG-UHFFFAOYSA-N 433.508 5.028 30 20 IKED N#Cc1ccc(C[C@H](C#N)C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 470718176 OXICVPWZLQBJBV-CQSZACIVSA-N 427.316 5.310 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2nnc(C3CCCC3)o2)cc1Cl 471225915 IQRQQMJGZLADLR-HXUWFJFHSA-N 434.927 5.607 30 20 IKED COC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 474497978 SXHYTFGLRINIHZ-RUZDIDTESA-N 443.547 5.053 30 20 IKED COc1ccc(Br)cc1-c1nc(C[S@](=O)CCCC(C)(C)C#N)cs1 476886792 OHEVXXCSYZBUNU-RUZDIDTESA-N 441.416 5.160 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)csc1Br 478548611 AUALCJUNIWBTGF-SECBINFHSA-N 439.306 5.711 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@]4(C3)OCc3ccccc34)c2)cc1 480546815 AZUPMRNWYTWXHF-SANMLTNESA-N 425.488 5.404 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccccc2OCCn2ccnc2)cc1 481179511 VMHRIMDXZROXFF-UHFFFAOYSA-N 440.528 5.237 30 20 IKED C=CCn1c(SCC(=O)N2CCc3sccc3[C@H]2CC)nnc1-c1ccccc1C 481405070 SYBUMAOKZBAKKU-LJQANCHMSA-N 438.622 5.129 30 20 IKED C=C(C)[C@H](NCc1nc(Cc2cccc(Br)c2)no1)c1ccc(F)c(F)c1 481593985 DCULNZGBUGVMGM-FQEVSTJZSA-N 434.284 5.108 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(OC)c1 481929794 HRQRRTLQJFUKHM-XMMPIXPASA-N 428.488 5.345 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@@H](C#N)c1cnc2ccccc2n1 483214195 XBGBJDIPNDYPHE-HNNXBMFYSA-N 446.919 5.396 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 485700391 XRCJRXWVQJPKTI-UHFFFAOYSA-N 430.504 6.278 30 20 IKED Cc1c(C(=O)N[C@@H](CCCC#N)c2ccccc2)nnn1-c1ccc(-c2ccccc2)cc1 487535383 KQMUCUSFWRLWCC-VWLOTQADSA-N 435.531 5.408 30 20 IKED CC[C@@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1C(C)(C)C#N 488072662 KDAHZZVAGVBTTB-QGZVFWFLSA-N 431.502 5.746 30 20 IKED CCN(C(=O)c1cccc(CC#N)c1)[C@H](c1ccc(Br)cc1)c1cccnc1 496512930 FOYJIADRSHRWPH-JOCHJYFZSA-N 434.337 5.162 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)c1 498901746 SORDUSYAAITKFX-SANMLTNESA-N 437.474 5.191 30 20 IKED Cc1c(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)sc2nc(C(F)(F)F)ccc12 499831906 HVSCBXCZXLBIQG-GFCCVEGCSA-N 444.265 5.925 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)nnc1-c1ccc(F)cc1 501624624 DIDLUKQLYQLFJJ-LBPRGKRZSA-N 434.899 5.182 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)cc1 502639312 ULTXYFFMTVTMHL-UHFFFAOYSA-N 447.470 5.030 30 20 IKED CC(C)(C)c1noc(-c2ccccc2C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)n1 505420095 GLOCGCZBOWYSDZ-OAHLLOKOSA-N 435.434 5.269 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cc1 505645656 MCGCIRRYMZCRHM-UHFFFAOYSA-N 446.478 5.185 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N(C)c1ccccc1C#N 508094994 ILSXEIPWRJDVRA-UHFFFAOYSA-N 427.888 5.250 30 20 IKED CCN(C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)[C@H](C)c1ccc(C#N)cc1 509564574 ONSFZYKSWBWITE-QGZVFWFLSA-N 427.533 5.091 30 20 IKED C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511481898 HDZAQCUQOYYCEQ-QGZVFWFLSA-N 438.487 5.782 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(-c3cccc4cccnc34)cc2)c1C 513308596 NDXNGRAGVSSKGE-UHFFFAOYSA-N 443.510 5.828 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cn4ccc(Br)cc4n3)n2)cc1 513612348 YIIWHZICLQROHD-OAHLLOKOSA-N 437.322 5.019 30 20 IKED N#Cc1c(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)sc2c1CCCCCC2 515676749 YOZBBKZOJMQUOY-UHFFFAOYSA-N 449.601 5.523 30 20 IKED N#Cc1cccc(NC(=O)CSCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 515723276 UVLANCPNGNYTFH-UHFFFAOYSA-N 433.480 5.572 30 20 IKED C=CCN(C(=O)[C@H](C)SCc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 516073271 QKKITYQYZWSZDY-INIZCTEOSA-N 439.562 5.559 30 20 IKED Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 518067236 ROZNAHCCRODPPH-VGOFRKELSA-N 431.923 5.120 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 518259248 FYIZJUGZTKVTRB-IRXDYDNUSA-N 444.551 5.270 30 20 IKED N#CCc1ccc(-c2nc(-c3cc(Br)sc3Br)no2)cc1 518302174 VQSXTUIYGSEGFN-UHFFFAOYSA-N 425.105 5.056 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4c(s3)-c3ccccc3OC4)n2)cc1 518516633 PZEKEINEUBVGMA-SFHVURJKSA-N 439.521 5.793 30 20 IKED CCC(CC)CN(CCC#N)C(=O)c1ccc(COc2cccc(Br)c2)o1 519155240 SMPARZYZLGXROH-UHFFFAOYSA-N 433.346 5.413 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cc(Cl)cc(F)c2Br)cc1 519589499 SHYNFHURVABQLO-UHFFFAOYSA-N 425.685 5.201 30 20 IKED Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 519978979 BQOSQFFANMDWLS-UHFFFAOYSA-N 440.478 5.473 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)Cc1ccc(Br)cc1 521747917 DIQOXEVGBDIBBN-HUUCEWRRSA-N 432.387 5.454 30 20 IKED N#C[C@@H](C(=O)c1oc2ccccc2c1CSc1ccccc1F)c1nc2ccccc2o1 522493224 UGIRBCNATPIRRJ-INIZCTEOSA-N 442.471 6.495 30 20 IKED C[C@@H](c1ccccc1)N1CCC(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 522502559 IDTIRXPSSYPVSB-NRFANRHFSA-N 439.559 5.093 30 20 IKED COc1ccc(N(Cc2ccco2)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1F 523504342 RDBNLAXJDJKYPE-UHFFFAOYSA-N 443.434 5.333 30 20 IKED COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 523533469 KUYZIXCWCYWKIG-UHFFFAOYSA-N 445.910 5.066 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2)cc1 524931947 MEOCXDSAOUEWFP-HSZRJFAPSA-N 445.507 5.787 30 20 IKED Cc1nnc(-c2cccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)c2)o1 531053692 GFBBQHCWMYLXKL-UHFFFAOYSA-N 444.878 5.401 30 20 IKED C[C@@H](Nc1ccc(CS(C)(=O)=O)c(F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 531836539 LKCNCGGMYUVFME-SNVBAGLBSA-N 443.384 5.581 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCS[C@H](C)[C@H]1c1ccccc1 532968008 OAKQSYIBNFRPMU-PNCHPQGNSA-N 425.623 5.198 30 20 IKED CCCS(=O)(=O)Nc1cccc(NCc2cccc(OCc3ccccc3C#N)c2)c1C 533211056 VPROWCMXZWXNBJ-UHFFFAOYSA-N 449.576 5.210 30 20 IKED COc1cc(CN[C@H](C)c2cccc(N3CCCC3)c2)ccc1OCc1cccc(C#N)c1 538277463 PNAYGRCLMIIHPM-OAQYLSRUSA-N 441.575 5.597 30 20 IKED C[C@@H](NC(=O)NCc1nnc(-c2ccccc2)s1)c1ccc(-c2cccc(C#N)c2)cc1 542080402 FZWCZIKPYHVGOD-QGZVFWFLSA-N 439.544 5.304 30 20 IKED CN(C(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 542680539 ALOHPTWARRKRRA-RPBOFIJWSA-N 429.495 5.005 30 20 IKED N#CCSc1ccccc1NC(=O)CNc1ccc(Br)c(Cl)c1Cl 542730237 TXXOFSHYGSJCHJ-UHFFFAOYSA-N 445.169 5.422 30 20 IKED C[C@@H](N[C@H](C)c1cccc(N2CCCS2(=O)=O)c1)c1ccc(-c2cccc(C#N)c2)cc1 543961278 HLRHGFNULPRJIX-WOJBJXKFSA-N 445.588 5.177 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N 544481994 DZOUMYFOGBWMCH-TZMCWYRMSA-N 426.517 5.017 30 20 IKED CC(C)C(=O)Nc1cccc(-c2noc(-c3ccc(Oc4ccc(C#N)cn4)cc3)n2)c1 546304862 DMAPYJGYIPXCBK-UHFFFAOYSA-N 425.448 5.057 30 20 IKED C=C(C)Cn1c(C2CCCC2)nnc1N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 549684853 SMYGEMNYMFCGAR-OAQYLSRUSA-N 439.991 5.118 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl 550313141 JUVCRMIOPXYHJO-OAHLLOKOSA-N 444.000 5.506 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(OC(F)F)c(F)c1 550604456 AKPZBIRKIKROKA-UHFFFAOYSA-N 426.394 5.439 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)CCc3ccc(-c4ccccc4F)o3)CC2)c(F)c1 552685761 MNMCEIRZNOJJLE-UHFFFAOYSA-N 436.458 5.099 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc2ccccc2c1 570471663 QCWZUAMBJVNVGA-UHFFFAOYSA-N 430.451 5.882 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](CC1CCCCC1)C(C)(C)C 571318200 HZEBDORBXMJOKL-UWJYYQICSA-N 429.630 5.378 30 20 IKED N#CCCN(C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1ccc(F)cc1 572178217 UHUWROKWIYGZJX-UHFFFAOYSA-N 431.254 5.275 30 20 IKED CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 581717609 JRTBEMZOYWPNFQ-IQGLISFBSA-N 447.510 5.368 30 20 IKED CC(C)[C@H](c1ccc(Br)cc1)c1noc([C@@H](C#N)Cc2ccc(C#N)cc2)n1 582267216 IHWWFMIIXUKRDH-UYAOXDASSA-N 435.325 5.342 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2csc(-c3ccccc3)n2)cc1C 588080410 KXZAHXMNRWBTPI-UHFFFAOYSA-N 427.533 5.456 30 20 IKED CN(Cc1ccccc1N1CCCC1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603691038 WMMKXEPQVRPHNU-UHFFFAOYSA-N 427.508 5.010 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 606575159 CYLSUBAXANBEHS-WMZOPIPTSA-N 425.529 5.204 30 20 IKED Cc1csc(-c2cccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2)n1 607009311 IIIULEGPAVPJFV-IBGZPJMESA-N 426.526 5.604 30 20 IKED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)Sc2nnc(-c3ccc(C(C)C)cc3)o2)CC1 608930117 LBAAFSIGGMZCRF-WCCYLALTSA-N 426.586 5.271 30 20 IKED N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 608973964 OCDGVQHVFWCWTN-LJQANCHMSA-N 433.817 5.078 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1 609080487 IEYYFUHRERVIAB-UHFFFAOYSA-N 440.431 5.351 30 20 IKED C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 609129239 DRPBMEKRTJNDDK-HXUWFJFHSA-N 437.543 5.406 30 20 IKED CC(C)(C)c1csc(CCNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)n1 609206893 WSEAHSYJGCXCLV-UHFFFAOYSA-N 448.592 5.450 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nccn1-c1ccc(Cl)cc1 609370796 XZKBRPLGEUAJQM-OAHLLOKOSA-N 442.997 5.508 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F 609377264 RUVSUYPGYJZFQR-CYBMUJFWSA-N 448.445 5.534 30 20 IKED CN1CCC[C@@H](CNC(=O)c2cccc(COc3ccccc3C#N)c2)[C@H]1c1cccs1 610180712 NWMXHKYSKKTSQU-DHLKQENFSA-N 445.588 5.012 30 20 IKED COc1ccccc1OCc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)o1 613403997 MAVKIAZTSIEJGC-OAHLLOKOSA-N 437.402 5.102 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1OCC(C)C 613404393 QLBPMBSNXVBMCJ-HNNXBMFYSA-N 448.466 5.849 30 20 IKED C=CCn1c(SCc2ccc(F)c(Br)c2)nnc1-c1ccccc1OC 614382331 IWLLKXGIOBBFKT-UHFFFAOYSA-N 434.334 5.334 30 20 IKED CCCN(Cc1ccccc1F)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 622093046 UYSNAJPKHRUQIF-FICVDOATSA-N 428.392 5.657 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@H](C1CCCC1)C(F)(F)F 681471276 WWKLKNRJHKPVLC-NOOOWODRSA-N 428.339 5.316 30 20 IKED C[C@H](Oc1ccccc1C(F)(F)F)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 727233199 IZZGNHSMYXLLBE-CMPLNLGQSA-N 445.224 5.127 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2nc(C(C)C)n(-c3c(Cl)cccc3Cl)n2)cc1 728862701 HMZNFOOUZZTFHR-UHFFFAOYSA-N 442.350 5.566 30 20 IKED N#C[C@H](C(=O)Cc1coc(-c2cccs2)n1)c1nc2cc(C(F)(F)F)ccc2s1 730071091 FJJKRKBUHKLKMP-GFCCVEGCSA-N 433.436 5.451 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)cc1 730182172 VTGFVIQFHWZEJT-UHFFFAOYSA-N 449.825 5.550 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H](O)c3cccc(C(F)(F)F)c3)cc2)cc1 730900215 WZKWSZDMFMXNNO-OAQYLSRUSA-N 441.409 5.224 30 20 IKED CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)S/C1=N/[C@@H](C)c1cccs1 731313462 ZIJLSZHZNOZGIF-ZLWLIRGASA-N 445.610 5.034 30 20 IKED N#C[C@@H](NC(=O)c1ccccc1COc1cccc(C=O)c1)c1c(Cl)cccc1Cl 733259322 WNANAMHJYKDROS-OAQYLSRUSA-N 439.298 5.380 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Oc3cccc(NC(=O)c4ccco4)c3)cc2)cc1 734330079 DPMQTUKUMTWXEI-UHFFFAOYSA-N 438.439 5.609 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 738752769 HRWYOMSYOHBCIL-UHFFFAOYSA-N 427.504 5.529 30 20 IKED Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)/C=C\c1ccccc1C#N 741739823 GPHUELMJEWRJMW-KAMYIIQDSA-N 438.506 6.255 30 20 IKED Cc1ccc(Br)cc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 744029727 WHPXROTVLCAEBA-LJQANCHMSA-N 449.304 5.511 30 20 IKED Cc1cc(O)nc(-c2cccc(OC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)c2)n1 744217178 NLYLRLLPVIAPSP-UHFFFAOYSA-N 437.455 5.235 30 20 IKED Cc1sc2nc(CS[C@H](C)C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)nc(O)c2c1C 747196745 BFTJHMDPICTDOX-CHWSQXEVSA-N 446.623 5.092 30 20 IKED N#Cc1ccsc1C(=O)OCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1 748105265 FNDZRPXFTXVXRR-UHFFFAOYSA-N 428.922 5.220 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 752614133 CSSXSBVRRJARIW-NVXWUHKLSA-N 433.499 6.121 30 20 IKED COC(=O)c1ccc(COc2ccc(C=NOc3ccccc3C(F)(F)F)cc2OC)o1 754712703 QCZLZOQMNJIHKW-UHFFFAOYSA-N 449.381 5.086 30 20 IKED COc1cc(CN[C@@H](C)c2nc3ccccc3s2)ccc1OCc1cccc(C#N)c1 754714555 VSQUWKYSCJHBFD-KRWDZBQOSA-N 429.545 5.606 30 20 IKED CN(Cn1nc(-c2cccnc2)n(Cc2ccccc2)c1=S)c1cc(Cl)ccc1C#N 754766214 WLISSLPCTSPTDQ-UHFFFAOYSA-N 446.967 5.143 30 20 IKED Cc1nccc(NCc2cccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2)n1 755049343 QAICZVQAFJJQDM-RUZDIDTESA-N 433.515 5.305 30 20 IKED CC[C@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC[C@H]1NC(=O)OC(C)(C)C 757329020 UXUMQCJRDFPJEP-WMZHIEFXSA-N 448.567 5.067 30 20 IKED C=CC[C@H](NC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)c1ccncc1 761697190 SWIOMTXXRTZANS-NRFANRHFSA-N 434.367 5.396 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)C[C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 763350221 ZOGWQASUEAFXFL-UXHICEINSA-N 443.588 5.005 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 764200547 YBQCKPFXERWDFH-IRXDYDNUSA-N 429.586 5.057 30 20 IKED C[C@@H](OC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1cccc(C#N)c1 764614860 TVDPYWIFYPGZQL-HXOBKFHXSA-N 432.907 5.377 30 20 IKED CC(C)(C)OC(=O)N1CCCc2c(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cccc21 778599956 UDZPJWQXKZZQNH-QGZVFWFLSA-N 433.533 5.474 30 20 IKED C=CC[C@@H](NC(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1)c1ccncc1 779574423 HAIQEGNGPMFVFN-IAGOWNOFSA-N 442.279 5.454 30 20 IKED N#Cc1cccc(COc2ccc(NC3CCN(C(=O)c4ccccc4Cl)CC3)cc2)c1 783589518 OGGPTSJJOYIIOD-UHFFFAOYSA-N 445.950 5.507 30 20 IKED C[C@H](OC(=O)CCCCOc1cccc(C#N)c1)c1nnc(-c2cccc(Cl)c2)o1 783633212 JDHKJWPBQONLSJ-HNNXBMFYSA-N 425.872 5.115 30 20 IKED N#Cc1cccnc1Oc1ccccc1NC(=S)Nc1ccc(Br)cc1 783726795 IFMFUAKYBUBPRM-UHFFFAOYSA-N 425.311 5.317 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H](O)c2cc(F)cc(Cl)c2)cc1 787835556 RBTXNHFYPGXHHL-OAQYLSRUSA-N 440.927 5.106 30 20 IKED N#C[C@H](C(=O)C1(Cc2ccccc2Br)CC1)c1nc2cc(F)ccc2s1 796861673 SJECYXCGCKYJDE-CQSZACIVSA-N 429.314 5.397 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2c(Cl)ccc3c2OC(C)(C)C3)ccc1OC 797685894 ZDGGKXMRPHCXIJ-INIZCTEOSA-N 443.931 5.065 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccc(-n3cncn3)cc2)C2CC2)cc1 801663557 XSXRVEGHFPFKPS-SANMLTNESA-N 448.530 5.119 30 20 IKED CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[C@H](C#N)c1nc2ccccc2s1 805845456 VWYIKUPHFORCNM-FXAWDEMLSA-N 449.576 5.765 30 20 IKED C=CCN(Cc1ccc(Cl)s1)Cn1nc(-c2ccccc2)cc(C(F)(F)F)c1=O 844254396 OBFHJGJFBOOVMS-UHFFFAOYSA-N 439.890 5.290 30 20 IKED CC[C@@H](NC(=O)CON=C(C)c1nc2ccccc2n1C(F)F)c1ccc(Cl)cc1 852327233 UHTQFIBVTRMRFZ-MRXNPFEDSA-N 434.874 5.093 30 20 IKED N#C[C@H](C(=O)COCc1nc2ccccc2s1)c1nc(-c2ccc(Cl)cc2)cs1 915102051 QHZNQIXBGIRBGF-OAHLLOKOSA-N 439.949 5.466 30 20 IKED Cc1nn(CC(C)C)c(C)c1CCC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915104088 JXXCINICRYCSGT-QGZVFWFLSA-N 448.514 5.594 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2ccc(-c3nc4ccccc4s3)o2)S1 915849075 VBKAOPOCWNUFQF-UNOMPAQXSA-N 431.542 6.065 30 20 IKED COc1ccc(OC2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)cc1 916679634 VPCOUGBSEDBDQE-SANMLTNESA-N 441.531 5.426 30 20 IKED CC(C)Cc1ccc(C(=O)CCC(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1 916917849 KLBRBYQXMNIOJI-QHCPKHFHSA-N 426.516 5.349 30 20 IKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cccc2ccccc12 916919221 UUNOQHQKPNEWBR-HXUWFJFHSA-N 443.890 5.428 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(SC(F)(F)F)cc1 916928777 UAIPVWDFOBFIMA-LBPRGKRZSA-N 433.238 5.566 30 20 IKED Cn1c2ccccc2c2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)sc21 916937908 HTNZZWNJXYTGEI-CQSZACIVSA-N 425.872 5.147 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 917026716 MWESTYKPDAATLV-OAQYLSRUSA-N 446.963 5.685 30 20 IKED CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2nc3ccccc3s2)o1 917029767 LTFQKMWNJAJLJX-UHFFFAOYSA-N 447.545 5.384 30 20 IKED CNC(=O)C[C@@H]1SC(=Nc2cccc(C(C)C)c2)N([C@H](c2ccccc2)C2CC2)C1=O 917708191 GJFPBPZFVGSJPF-JTHBVZDNSA-N 435.593 5.029 30 20 IKED CCN(CC)c1nc2sc(C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cc2s1 920773332 OTRJTYQVBSWXFP-CQSZACIVSA-N 436.562 5.199 30 20 IKED N#CCCCCOC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 920894041 JUJJRCYKJPWYAB-UHFFFAOYSA-N 438.325 5.081 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc4sccc4[nH]3)cc2)CCC1 1789369855 FWMZTZJRKVBRMG-LJQANCHMSA-N 433.577 5.746 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C)nc3)CCC2)cc1 1789624019 AMHKZWBHEYZCBG-UHFFFAOYSA-N 433.596 5.449 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)c(F)c3)cc2)CCC1 1790648144 GOZNXXIEQBIBNG-UHFFFAOYSA-N 447.432 5.142 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C[C@@H](C)c2ccccc2)[C@H]1c1cccnc1 1810503087 NEOUGRPIOTZUGE-DSBYRVASSA-N 447.623 5.274 30 20 IKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)cccc2Cl)CC1)C(F)(F)F 1831453464 XXHLOYKHKBWKKP-GOSISDBHSA-N 442.909 5.000 30 20 IKED CC(C)C1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)CCC1 1832494288 XQXLAKPIOQVNKV-OFVILXPXSA-N 449.639 5.373 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(\S)Nc2cccc(C)c2C)[n+]2ccc(N(C)C)cc2)c1 10168022 LROFWRNMYNIWFC-UHFFFAOYSA-O 432.613 5.325 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2c(C)cc(C)cc2Cl)[n+]2cccc(O)c2)cc1 10178937 GSXSJKQFWNAMIB-UHFFFAOYSA-O 439.988 5.563 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccccc2C)cc1 11168368 BRUHBDPJIRVINC-UHFFFAOYSA-O 431.625 6.409 30 20 IKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc(C(C)(C)C)cc2)cc1 11171019 RUOIYGKAUZVFCJ-UHFFFAOYSA-O 449.615 6.585 30 20 IKED C=CCNc1nnc(S[C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)s1 17053608 AVMBMKBQZIDKJM-CQSZACIVSA-N 428.608 5.407 30 20 IKED O=C(/C(=C(\S)NCCc1ccccc1)[n+]1ccccc1)c1ccc(Cl)c(Cl)c1 22735248 GSRUTHQTCQPTKY-UHFFFAOYSA-O 430.380 5.052 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 22799991 SIOHPSMLQAZDAD-UHFFFAOYSA-O 449.905 5.658 30 20 IKED CC(C)c1ccc(CSc2nnc(SCC(=O)NC3(C#N)CCCCC3)s2)cc1 26093399 QBNAUZFSNBIBSJ-UHFFFAOYSA-N 446.667 5.389 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)n1 26143534 SPLRXPFSAURHHR-NEPJUHHUSA-N 427.879 5.292 30 20 IKED CC(C)NC(=O)Cc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 32456887 WUVQKPUKQNJUAD-UHFFFAOYSA-N 429.545 5.029 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N(CCC#N)Cc3cccnc3)cc12 301998293 QLXBDLXSGYMHHD-UHFFFAOYSA-N 449.967 5.059 30 20 IKED C=CCN(CCc1ccccc1)C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 302951119 DAGKBTJYFNEORA-UHFFFAOYSA-N 432.524 5.006 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2c(F)cccc2F)n1)c1nc(-c2ccc(Cl)cc2)cs1 429373575 SLJUCVGZWDBFGR-CQSZACIVSA-N 440.862 5.417 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)s1 430614280 XTRITQNZMNMHCH-MRXNPFEDSA-N 433.562 5.240 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)c1cccc(SCC#N)c1 430691329 LLIUXDCWWGHWHM-ZDUSSCGKSA-N 427.982 5.879 30 20 IKED CCn1ccnc1[C@@H]1CCCCN1C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 430902329 YYQXVMWFNKGOLM-DVECYGJZSA-N 427.552 5.439 30 20 IKED CC(C)Oc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)cc1C#N 435349493 IQGNFUAPFGYNMB-UHFFFAOYSA-N 448.832 5.456 30 20 IKED Cc1csc([C@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C2CC2)n1 437978260 VCUKLMCEDNOJEU-JOCHJYFZSA-N 432.549 5.483 30 20 IKED COCC1CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CC1 438548036 ULJKLHGIXCBILG-UHFFFAOYSA-N 433.430 5.260 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]([C@@H]4CCOC4)C3)cc2Cl)c1 439400929 XUYSAKNQJFUDMN-WOJBJXKFSA-N 439.943 5.071 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)Nc2cccc(CSC3CCCCC3)c2)cc1 440902874 QZAMPNPWZGSBDP-UHFFFAOYSA-N 435.593 5.631 30 20 IKED N#Cc1nc(N2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)ccc1C(F)(F)F 443516204 DXNWYMYVTCDFCE-UHFFFAOYSA-N 443.256 5.134 30 20 IKED COc1cccc(C2(NC(=O)Nc3ccccc3S[C@H](C)CC#N)CCOCC2)c1F 446168354 QUNRBTDHFHRJKE-MRXNPFEDSA-N 443.544 5.056 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc2c1OCC[C@H]2OC 448053661 ZFILENTVANLGIG-LJQANCHMSA-N 449.320 5.278 30 20 IKED COc1ccc(-c2ccc(CNC(=O)c3occc3COc3cccc(C#N)c3)cc2)cc1 460574116 MJIUXBDXQIQJAE-UHFFFAOYSA-N 438.483 5.336 30 20 IKED CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1cccc(Cl)c1 460723716 YHTRPMQIZWBNGF-QFIPXVFZSA-N 435.959 5.238 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)cc2F)c1 462239907 HFPDCKVRMYXFOT-DHLKQENFSA-N 445.494 5.318 30 20 IKED Cc1nc(C(F)(F)F)sc1C(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 462329995 AMGBAHTXAKJZBW-UHFFFAOYSA-N 434.308 5.385 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3nc(C4CC4)oc3c2)cc1C 465466220 LQJLRSSYMDLMTM-UHFFFAOYSA-N 425.492 5.352 30 20 IKED N#Cc1cccc(OCCCCC(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)c1 466271583 LHYHBAIMVBEFDN-OAQYLSRUSA-N 445.588 5.153 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(F)cc(F)c3Br)o2)cc1 468281793 OTKRLPOZTJWAOX-UHFFFAOYSA-N 433.208 5.023 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N 468660770 JCAWOMGRONTTMA-DYESRHJHSA-N 434.323 5.024 30 20 IKED CN(C)[C@H]1CCOc2c(NC(=O)c3ccccc3Sc3ccccc3C#N)cccc21 469238534 IVGSEWYJDOQTIT-NRFANRHFSA-N 429.545 5.347 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)C3(c4c(Cl)cccc4Cl)CC3)ccc21 470764741 IGUKWDKZKWDJMV-UHFFFAOYSA-N 442.346 5.247 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1)c1nc(-c2ccncc2)cs1 473933556 SGOWYGMWCJYQMI-SFHVURJKSA-N 449.894 6.280 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(c2ccccc2Br)CC1 475344616 XGWABGLEEILRHN-UHFFFAOYSA-N 448.320 5.487 30 20 IKED C=C(C)[C@H](NCc1nnc(C(=O)Nc2ccc(CC)cc2)s1)c1ccc(F)c(F)c1 481611214 JTKWKMJFVPWZDH-FQEVSTJZSA-N 428.508 5.038 30 20 IKED COc1cccc(CCCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 481683904 IIIPMUHVDQTALP-UHFFFAOYSA-N 433.483 5.039 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(Cc2ccccc2Cl)CC1 483327219 SEZVLBMTTMSQMY-QGZVFWFLSA-N 428.989 5.084 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N(C[C@@H]2CCCO2)c2ccc(Br)cc2)cc1 483342530 NOPDNFIPCZUNQZ-FQEVSTJZSA-N 427.342 5.076 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3c(F)cccc3Br)cc2)c1 487277895 MWTXAVCUCYQHLM-UHFFFAOYSA-N 425.257 5.291 30 20 IKED C=CC[C@H](C(=O)Nc1ccc2c(c1)N(C(=O)Cc1cccc(OC)c1)CC2)c1ccccc1 488310763 HVJCJBNTOJVKRS-VWLOTQADSA-N 440.543 5.125 30 20 IKED C=CCn1c(SCc2csc(N(C(C)=O)C3CC3)n2)nnc1-c1cccc(Cl)c1 489616815 AVTYCSIJJPZOBT-UHFFFAOYSA-N 446.001 5.049 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cccc(Cl)c1 489639860 ZQWFFEFBZUZKRE-QGZVFWFLSA-N 441.000 5.829 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(OC(F)F)cc3)o2)cc1 489791599 UQUDDBJYXMSGEF-ZDUSSCGKSA-N 447.463 5.022 30 20 IKED C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1cccc(O)c1 496318592 BRFIEOAQFQIKHX-LBPRGKRZSA-N 446.454 5.213 30 20 IKED C=CCN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1nc(-c2ccccc2)cs1 498243568 QHRINFADMWBNJM-UHFFFAOYSA-N 431.420 5.153 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 498900262 YAXKVEFSAUOJEV-MRXNPFEDSA-N 442.951 5.016 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)Cc3csc(Cc4ccc(F)cc4)n3)n2)c1 501141888 MEQYUQJUQSYVHO-UHFFFAOYSA-N 434.521 5.049 30 20 IKED CC[C@H](C)n1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)nnc1-c1ccccc1 504321556 OXJMRQFYOQCZOF-RBUKOAKNSA-N 433.581 5.344 30 20 IKED COc1ccc([C@H]2CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)C2)cc1 506661272 LDUQRMFEMKZEHN-QHCPKHFHSA-N 441.531 5.362 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cccc(C(=O)Nc3ccccc3)c2)cc1 507152369 SJUGEDJHPDJYRO-UHFFFAOYSA-N 437.421 5.015 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CCNC(=O)c2ccc3ccccc3c2)cc1 507905008 LZHRJGGSRZZNNJ-UHFFFAOYSA-N 435.483 5.262 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)CCOc2ccccc2C)cc1 508258294 KFFICMBYCKDYGK-UHFFFAOYSA-N 431.492 5.210 30 20 IKED C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(OC2CCCC2)CC1 508509059 MGOSMHDWEZMIBN-UHFFFAOYSA-N 433.021 5.338 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@@H]([C@H]2CCOC2)C1 508839674 HAIWAWXNBFUHMG-PMOQBDJRSA-N 432.568 5.010 30 20 IKED Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 510107687 AWSLTSTXOATILV-YGWXTMFKSA-N 447.583 5.152 30 20 IKED C[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1ccccc1OC(F)F 510172663 MTNHTIVNUIJEEA-CQSZACIVSA-N 425.460 5.341 30 20 IKED N#Cc1ccc(-c2ccccc2)nc1SCc1nnc(-c2ccccc2Br)o1 510199402 PCWFTMQDKWJILH-UHFFFAOYSA-N 449.333 5.725 30 20 IKED Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(N[C@@H](C)c3ccc(C#N)cc3F)cc2Cl)n1 512295337 LFVDCTGBAIVIBF-JKSUJKDBSA-N 439.922 5.537 30 20 IKED C=CCOc1c(Br)cc(CNCc2c(F)cccc2N2CCCC2)cc1OC 512552444 OGCYPXUHAADPNS-UHFFFAOYSA-N 449.364 5.052 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(Nc3cccc(F)c3)s2)c1C 515425466 IOCURFCPBJWPIZ-UHFFFAOYSA-N 441.557 5.077 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3oc4ccccc4c3COC(C)C)n2)cc1 516713629 DADYAOBIFUYKMQ-IBGZPJMESA-N 446.528 5.980 30 20 IKED CCc1cccc2c(CCNC(=O)c3ccccc3SCc3ccc(C#N)cc3)c[nH]c12 517678154 YPSSABXNOYABIA-UHFFFAOYSA-N 439.584 5.867 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 517778527 ZXQKLSDIDMIAGB-UHFFFAOYSA-N 444.510 5.070 30 20 IKED CCCN(C(=O)C(=O)Nc1cccc(OCCCC#N)c1)[C@@H](C)c1cc2ccccc2o1 517794393 OQYNJUIBTMHEAM-SFHVURJKSA-N 433.508 5.054 30 20 IKED COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)N(C)C[C@H](C)C#N)cc1 519366684 LHVLELQCXORBRN-CTBJKRMSSA-N 425.532 5.352 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1COCc1ccccc1 521261511 RZSFLGLLOQOGOV-FQEVSTJZSA-N 445.588 5.977 30 20 IKED CCc1c(C)sc(NC(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)c1C#N 521719187 BZMCCOKELXCERH-UHFFFAOYSA-N 426.973 6.015 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)c1cccc(Cl)c1Cl 522813014 FNUIJZOOHSZCJP-CHWSQXEVSA-N 436.364 5.204 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H](Cc2ccccc2)C2CC2)cc1 523014423 RDFJYSBSKMJLCU-AREMUKBSSA-N 425.532 5.474 30 20 IKED Cc1ccc(C[C@H](C)N(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 523419751 SFAPEPGVTCYFTK-NRFANRHFSA-N 427.548 5.735 30 20 IKED C=CCc1cc(CNC(=O)N2CC=C(c3c[nH]c4cc(C)ccc34)CC2)cc(OC)c1OC 523654372 XYMOPLGYBZZDAY-UHFFFAOYSA-N 445.563 5.221 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F 524565953 KSWWBUJZPXJZHZ-OXJNMPFZSA-N 447.526 6.716 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCc2cccc(Br)c2C1 532056872 WXMKWCWSZBJKJG-AWEZNQCLSA-N 430.371 5.291 30 20 IKED COc1cc(C)ccc1Oc1ccc(NCc2cn(C)nc2-c2ccc(C#N)cc2)cn1 537555619 IVJVSQSNYCUQHA-UHFFFAOYSA-N 425.492 5.075 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nn1[C@H](C)C1CC1 539679259 IMYNQRKQHOPNPD-MLGOLLRUSA-N 445.375 6.083 30 20 IKED Cc1nc(-c2ccc([C@H](C)N[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)cc2)cs1 540377095 VOEKTARMTOCRQI-DLBZAZTESA-N 436.556 5.244 30 20 IKED N#C[C@@H](C(=O)c1ccc(C2(C#N)CC2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 540779730 ZHEHXBOGVFHFMZ-KRWDZBQOSA-N 438.339 6.162 30 20 IKED CC(=O)Nc1cccc([C@@H](C)NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 541157621 USPABJGLZDUMHY-QZTJIDSGSA-N 426.520 5.305 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3nnc(C4CCC4)n3C)n2)o1 543032184 DVMZWDQKUYWGRS-UHFFFAOYSA-N 433.459 5.229 30 20 IKED CCN(C(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 544000119 ADVSLEVCWXRARM-MHZLTWQESA-N 449.558 5.514 30 20 IKED C[C@@H](Oc1ccccc1C#N)c1nc(-c2ccc(Br)cc2OC(F)F)no1 545854264 HIXFZJWYNAAZBR-SNVBAGLBSA-N 436.212 5.112 30 20 IKED C=CCOc1c(Br)cc(CNc2ccc(C(=O)NC(C)C)c(C)c2)cc1OC 549404696 WNWQZFULRUFLJE-UHFFFAOYSA-N 447.373 5.081 30 20 IKED C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1CCC(C(=O)N(C)CCCC)CC1 555272432 KPSUVEFEGNNJQG-UHFFFAOYSA-N 445.611 5.149 30 20 IKED CC(C)(C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1cc(F)cc(C#N)c1 556958734 HFPDCTMKZHRNGF-UHFFFAOYSA-N 440.347 5.144 30 20 IKED C=CCC[C@@H](N[C@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1ccc(C(F)(F)F)cc1 567223420 APQKMZMXKKHQDA-RTWAWAEBSA-N 438.515 5.027 30 20 IKED COc1ccc(-c2ocnc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 568318559 SAKJSEXJXPOQBS-UHFFFAOYSA-N 425.444 5.575 30 20 IKED C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1CC[C@@H](OCc2c(C)noc2C)C1 572426730 NEJUQACAYJMGIR-OAQYLSRUSA-N 443.551 5.075 30 20 IKED C=CCn1c(SCC(=O)N2CCC3(CCCC3)CC2)nnc1-c1ccc(Cl)cc1 576742597 WKSSOTCBABODES-UHFFFAOYSA-N 431.005 5.059 30 20 IKED COC(=O)c1cc(NC(=O)c2ccccc2-c2ccccc2C#N)c(C)cc1Br 578931688 AANRQJLCPUDIIO-UHFFFAOYSA-N 449.304 5.335 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(Cn2ccnc2)c1 580943385 GHZBNDNDVSJVEZ-UHFFFAOYSA-N 430.455 5.208 30 20 IKED Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)s1 582095085 ZGUOZCSSTJTRNK-UHFFFAOYSA-N 447.516 5.066 30 20 IKED CCN(Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1)C1CC1 587988725 LJKIHVCZCXZSQJ-JOCHJYFZSA-N 431.561 5.293 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)NC3CCC(Oc4ccccc4C#N)CC3)c(C)c2c1 599875900 HWFCPCKTQGZTBK-UHFFFAOYSA-N 444.531 5.255 30 20 IKED COc1ccc2oc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)c(C)c2c1 603449409 YQLSUPSWSIFMIW-UHFFFAOYSA-N 436.518 5.018 30 20 IKED C[C@H](NC(=O)c1cccnc1Oc1ccc(F)cc1Br)c1ccc(C#N)cc1 603782262 KPZHCUJMAAXRNN-ZDUSSCGKSA-N 440.272 5.138 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2cccs2)C2CC2)cc1Cl 604138786 OHRXKQWOUWUNOH-SIKLNZKXSA-N 449.963 5.263 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2sc3cccc(Cl)c3c2Cl)n1 604432722 CTHJHNXTHSXLQS-MRVPVSSYSA-N 425.318 5.331 30 20 IKED CC[C@@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccccc1OC(F)F 605014351 PTYIHFVSHFYJDI-LLVKDONJSA-N 434.327 5.265 30 20 IKED C=CCn1c(S[C@@H](CC)c2ccc(F)cc2F)nnc1[C@@H]1COc2ccccc2O1 606150374 SRKRVTMKOMDTBB-PMACEKPBSA-N 429.492 5.498 30 20 IKED C[C@H](CC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F 607477577 XZHYACJCKVODEK-UTUOFQBUSA-N 435.330 5.788 30 20 IKED Cc1nc(-c2cccc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2)cs1 608552879 KENXZLBQMFKRIF-HNNXBMFYSA-N 443.475 6.237 30 20 IKED COc1ccc2oc([C@H](C)NC(=O)c3occc3COc3cccc(C#N)c3)c(C)c2c1 609299609 CUEDBXNPBKTTHS-INIZCTEOSA-N 430.460 5.285 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 609399178 DSBNROGKFZAWOQ-KRWDZBQOSA-N 444.000 5.462 30 20 IKED Cc1csc(N(CC(F)(F)F)C(=O)c2cccc(COc3cccc(C#N)c3)c2)n1 609642846 YWEPTPNSIORFDI-UHFFFAOYSA-N 431.439 5.111 30 20 IKED N#CCn1c(C(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)cc2ccccc21 609864536 WXSLKRZWYUUTQK-UHFFFAOYSA-N 441.331 5.377 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(OCC4CCCCC4)CC3)cc2)cc1 610325227 MBLBZYLUJWFYOW-UHFFFAOYSA-N 433.552 5.944 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](c3cccc(F)c3)c3ccccn3)cn2)cc1 611226061 WALQLTBAJHDEJL-DEOSSOPVSA-N 439.450 5.191 30 20 IKED C=CCN(Cc1cccs1)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 611727756 VDUVYSZOIFZXBZ-UHFFFAOYSA-N 428.561 5.499 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(NC(=O)C4CCCCC4)c3)n2)cc1 613317997 CNFMJFCCEQGPPY-QFIPXVFZSA-N 443.572 6.127 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1CCCOc2ccc(F)cc21 618948265 OGFIWFWNPBUHPA-REJLFOLJSA-N 442.375 5.248 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OCc4cccnc4)cc3)n2)cc1 642281111 JLTRIRWWFAFNCY-QFIPXVFZSA-N 425.513 5.583 30 20 IKED Cc1cc(-c2cc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)c3cnn(C(C)C)c3n2)c(C)o1 679088668 GFJAGVHTXBPJAT-OAQYLSRUSA-N 449.514 5.927 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c2cnn(Cc3cccs3)c2n1 679092662 QMHCBOKTBZEFGY-MRXNPFEDSA-N 447.520 5.088 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@H]1CCCOc2c(F)cccc21 679313300 YWSYPLRWSROZLP-HFAKWTLXSA-N 442.375 5.248 30 20 IKED COc1ccc(C(=O)c2ccccc2C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1 679980890 ZDMDSXUHXWQDRX-LJQANCHMSA-N 430.460 5.165 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 726275082 VRZLQFYFGMNNDE-HZPDHXFCSA-N 442.025 5.135 30 20 IKED N#CCCCOc1cccc(/C=C2/SC(=S)N(c3ccc(OC(F)F)cc3)C2=O)c1 726802082 SCDSTWICUINFFU-QGOAFFKASA-N 446.500 5.376 30 20 IKED C[C@H](Sc1nnc(Cc2cccs2)o1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 727268809 TZDANZHCZPRPBI-QIQQCEGHSA-N 425.579 5.083 30 20 IKED CCc1ccccc1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728062621 QUOSWBGJKVKSKK-QGZVFWFLSA-N 433.939 5.792 30 20 IKED Cc1ccc(-c2nnc([C@H](C)OC(=O)c3ccc(COc4ccc(C#N)cc4)o3)o2)cc1 728109708 CHTAXSJIUWKJDF-INIZCTEOSA-N 429.432 5.007 30 20 IKED C#CCOc1ccccc1[C@H](C)OC(=O)COc1ccc(C2SCCCS2)cc1 730424198 SSZTZZNATNZBSN-KRWDZBQOSA-N 428.575 5.251 30 20 IKED CC(C)(C)n1cc(C=NNc2ccc(Cl)c(C(=O)O)c2)c(-c2ccccc2Cl)n1 731149016 FLSMSCMNYLBAMM-UHFFFAOYSA-N 431.323 5.756 30 20 IKED N#CCOc1ccc(CSc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)cc1 731159101 MNGGFLDKJLSTKB-UHFFFAOYSA-N 433.920 5.234 30 20 IKED Cc1ccc(CC(=O)Nc2cccc([C@H](C)OC(=O)CCc3ccc(C#N)cc3)c2)cc1 731302012 QRZDUDUTWKSZBR-FQEVSTJZSA-N 426.516 5.285 30 20 IKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nnn1-c1cccc2cccnc12 731453621 FMNZUIHZROIYKS-HSZRJFAPSA-N 444.498 5.032 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)N(CCC#N)c1ccc(F)cc1)c1ccccc1 732093589 IDCCKIGUIHNNNM-NRFANRHFSA-N 425.504 5.119 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)[C@@H](O)c1ccc(F)cc1 732426951 OSRINIAHIKYQEH-JLCFBVMHSA-N 439.874 5.387 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)c1C#N 733144672 FCSQPGLKBJJILM-UHFFFAOYSA-N 442.516 5.291 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(Oc3cccnc3)c(C)c2)ccc1OC 733628320 XHCZGJZXKQQQSG-HXUWFJFHSA-N 446.507 5.194 30 20 IKED C#CCN(C(=O)Nc1cc(OC)ccc1Cl)[C@H]1CCOc2ccc(Br)cc21 733628587 QJOPXJDPFHMRQZ-SFHVURJKSA-N 449.732 5.102 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)c1 733803460 XPMQEFZXMWSJHC-RXVVDRJESA-N 448.592 5.668 30 20 IKED C=CC[C@H](NC(=O)c1cc2sc(Nc3ccccc3OC)nc2s1)c1ccncc1 734555228 NJNOWVVQGCXBOB-HNNXBMFYSA-N 436.562 5.552 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(Cc3ccccc3F)n2)cc1 735592546 ASEIOJCXMXTDKV-HNAYVOBHSA-N 435.524 5.348 30 20 IKED COC(=O)Nc1ccc(CCNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 737601804 GYMXUQGWPDKZDO-UHFFFAOYSA-N 449.894 5.155 30 20 IKED C[C@H](CC(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1cccc(C(F)(F)F)c1 738743170 IUPLSLXRVWCFSE-MRXNPFEDSA-N 442.437 5.493 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H](c3ccc(F)cc3)[C@H]3CCCO3)c2)s1 740063038 YINIXWDZLUKTGA-GGAORHGYSA-N 435.524 5.145 30 20 IKED COc1ccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1Cl 741457173 UANXKTHVQJKKLG-UHFFFAOYSA-N 444.343 5.631 30 20 IKED Cc1ccc(Cn2nc(C)c(/C=C\C(=O)c3cnn(-c4ccc(C#N)cc4)c3C)c2C)cc1 741842833 CLBZAPDGDMMMLV-YPKPFQOOSA-N 435.531 5.119 30 20 IKED CC1(C)CCc2cc(/C=C/C(=O)c3ccc(S(=O)(=O)CC(F)(F)F)cc3)ccc2O1 741851945 GIIDCJSYZKSHSS-YCRREMRBSA-N 438.467 5.022 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)C[C@@H](Cc2ccccc2)c2ccccc2)cc1Cl 744032628 MPMMTJOYLVWDAP-IRLDBZIGSA-N 446.934 5.413 30 20 IKED Cc1nc(CSc2ccccc2C(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)cs1 744541714 AWBAUOHRFNMBQT-UHFFFAOYSA-N 448.529 5.023 30 20 IKED C=C(C)COc1cc(/C=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)ccc1OC 747040862 IWPRJBGDDWYPMI-CIAFOILYSA-N 441.574 5.060 30 20 IKED Cc1ccc(-c2ncc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)s2)c(C)c1 747112114 QALDZPXFMDMIMN-OAHLLOKOSA-N 427.888 5.181 30 20 IKED N#C[C@@H](C(=O)CSCc1cccc(OC(F)F)c1)c1nc(-c2ccccc2)cs1 750008070 SDBACVLPAMHBQR-KRWDZBQOSA-N 430.501 5.521 30 20 IKED C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 750705732 JCWBXKYWDCLXTK-XHDPSFHLSA-N 441.940 5.994 30 20 IKED Cc1c(Cl)cccc1N=C1SCCN1C(=O)C1CCC(NC(=O)C2CCCC2)CC1 751055928 VZNRRPGGKWBROK-UHFFFAOYSA-N 448.032 5.077 30 20 IKED CC(C)c1oc([C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2C#N)nc1-c1ccccc1 751454839 XRSCSMXGBSTYDR-IBGZPJMESA-N 439.512 5.002 30 20 IKED O=C(/C=C\c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1)c1cccc(N2CCOC2=O)c1 752238169 OYQVAGIELXPKEO-XFXZXTDPSA-N 430.416 5.240 30 20 IKED C#CC[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1)c1ccccc1 757758585 ZQCYKQBKSAXZRT-OFVILXPXSA-N 446.572 5.187 30 20 IKED Cc1cccc2sc(N(Cc3ccccc3)C(=O)Cc3cccc(OCC#N)c3)nc12 760348123 IROUEJJNVCYLOO-UHFFFAOYSA-N 427.529 5.283 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2sc(-c3ccccc3)nc2C(F)F)c1 761458052 YUWRGPFWQYXYLN-MRXNPFEDSA-N 427.476 5.359 30 20 IKED C=CCn1c(-c2cnccn2)nn(CN(Cc2ccccc2)[C@H]2CCCC2(C)C)c1=S 765060222 NFSWAXINTJBSBM-NRFANRHFSA-N 434.613 5.095 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\CCc3c(C)ccc(C)c3C2=O)cs1 769746843 ROLICQFTJFUVMM-SFQUDFHCSA-N 436.964 6.310 30 20 IKED N#C[C@@H]1CSCCN1Cn1nc(SCc2cccc3ccccc23)sc1=S 774644625 UQQZXYGSRCCYDF-MRXNPFEDSA-N 430.649 5.018 30 20 IKED COc1cccc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)OCC#N)c1OC 776024112 WHEOOZBMIZZEKV-UKJPIOLTSA-N 428.488 5.055 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1 777839766 WDRXKECQPJILKF-UHFFFAOYSA-N 427.504 5.502 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1csc(-c2cccc3ccccc23)n1 778299194 VUHFHXRZXUPIOL-QGZVFWFLSA-N 431.904 5.578 30 20 IKED COc1ccc([C@@H](Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c2ccccc2Cl)cc1 779159924 SFBBNPWKXOPFKI-AREMUKBSSA-N 447.966 5.383 30 20 IKED N#CCCn1cc(C(=O)COC(=O)c2ccc(COc3ccccc3)cc2)c2ccccc21 779494361 UHHAAUWFZYOLKB-UHFFFAOYSA-N 438.483 5.174 30 20 IKED Cc1ccc(-n2nc(C)c(CC(=O)[C@H](C#N)c3nccc4ccccc34)c2C)cc1Cl 792093620 KCOGUQRPUALQQY-QFIPXVFZSA-N 428.923 5.418 30 20 IKED Cc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1C#N 799309244 BWDHYELUUCBGJQ-UHFFFAOYSA-N 426.423 5.057 30 20 IKED N#CC1(CCCOC(=O)[C@@H](Sc2ccc(F)cc2F)c2ccccc2)CCOCC1 800163762 SKTDAKRDAMEFLF-NRFANRHFSA-N 431.504 5.442 30 20 IKED CCOC(=O)[C@H]1C/C(=C\c2cccc3c2N(C(=O)OC(C)(C)C)CC3)C(=O)c2ccccc21 802707089 FASWBZROTGJFOB-SIWPHUPXSA-N 447.531 5.301 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)cc1 806201030 ROZYCDYWYSRWLP-FCHUYYIVSA-N 439.437 5.216 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)c2)s1 806842031 FKFXNJZABDBXDL-WXFUMESZSA-N 443.572 5.001 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)s1 810537592 YMWKEICNZJJVPU-LBPRGKRZSA-N 446.479 5.354 30 20 IKED N#C[C@H](C(=O)CCSc1ccnc2cc(Cl)ccc12)c1cc(C(F)(F)F)ccn1 813219171 XEAINWJIULPAAP-HNNXBMFYSA-N 435.858 5.661 30 20 IKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)SC1=NC(=O)/C(=C/c2csc3ccccc23)S1 814772480 BPEFOWMAJVOUMU-MMZXUKFBSA-N 443.619 5.048 30 20 IKED Cc1ccc([C@@H](OC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c2cncn2C)cn1 816318965 JMTBBHBTZWWMCU-RUZDIDTESA-N 438.487 5.042 30 20 IKED CC(=O)C1=C(c2ccc(C)cc2)N(Cc2cccs2)C(=O)N[C@H]1c1cccc(C#N)c1 840198237 BKJJJBKEDGIPAU-QHCPKHFHSA-N 427.529 5.195 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1c(Cl)ccc(Cl)c1Cl 911671705 ZTEQUNQBAPMNNB-LLVKDONJSA-N 432.756 5.468 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 915085545 CHGYVJIATHXILC-IBGZPJMESA-N 425.713 6.010 30 20 IKED Cc1cc(CSc2ncccc2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)no1 915086778 WSWXQZICRRUPFS-HSZRJFAPSA-N 440.528 5.578 30 20 IKED N#C[C@@H](C(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1nc(-c2ccc(Cl)cc2)cs1 915101496 HTWZIAMDOIZSRP-AEFFLSMTSA-N 435.936 5.231 30 20 IKED CC(=NNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1[nH]c(-c2ccccc2)nc1C 915110189 NWGBMRIUCMHHPT-UHFFFAOYSA-N 448.361 5.056 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(OC3CCCC3)nc2)cc1 916396176 CLLJPBNYHCGXPU-XMMPIXPASA-N 426.520 5.380 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CSc1ccc2ccccc2c1 916901823 AVSYBAIXPLJLSF-GOSISDBHSA-N 438.936 5.250 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)c(C)n1-c1ccc(F)cc1 916917206 GAVAVGFIXFJQSS-QHCPKHFHSA-N 425.463 5.348 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1 916917228 BGEOWUYTVFGKRA-OAQYLSRUSA-N 443.503 5.077 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1Cl 916936881 BOIJCJBIXQBJDF-AWEZNQCLSA-N 446.315 5.087 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ncc(-c3ccc(C)cc3)o2)cc1 916955227 NOMODXPCOUCLKI-PGRDOPGGSA-N 429.520 5.444 30 20 IKED Cc1ccccc1-n1nc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2c1CCC2 920878356 JUVSMIZFBDQBTJ-DEOSSOPVSA-N 432.527 5.577 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)cc1OC 921008451 FTFWTNBAOUKXJF-RKWFYDHTSA-N 448.563 5.092 30 20 IKED CC(C)(C)Cn1c(O)nc2cccc(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)c21 1129535324 KHRVIXWEHCGMNV-UHFFFAOYSA-N 441.491 5.099 30 20 IKED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1 1812805002 ZDUVLPDADJFSFM-PMVMPFDFSA-N 447.689 5.038 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)C2(C)CCCCC2)[C@@H]1c1cccnc1 1813001839 FMSWWNZPWMSORO-YADHBBJMSA-N 425.617 5.050 30 20 IKED Cc1cscc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1818242524 VAJNOLBQQWGUSE-QVKFZJNVSA-N 447.564 5.026 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C(C)=C/c2cccs2)[nH]n1 1819300871 LDBMAZZZTGSDOH-QKKWPNGZSA-N 438.597 5.335 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccs2)CC1 1829066267 ZDYYCQUIJJTISO-QFIPXVFZSA-N 430.658 5.293 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc3ccccc23)CC1 1829066330 CAMQEHPVQPZVDQ-RUZDIDTESA-N 447.623 5.461 30 20 IKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](CCC)CC2)CC1 1831561778 RDEAAUAHQIPVFN-HVCNVCAESA-N 446.676 5.195 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccccc2C(F)(F)F)[n+]2cccc(O)c2)c1 11157408 FOUPSWWFXSJWKL-UHFFFAOYSA-O 445.486 5.366 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccccc1)=C(/S)Nc1ccc(Cl)c(Cl)c1 11158653 AGNWVDBWMHCDHU-UHFFFAOYSA-O 430.380 5.894 30 20 IKED Cc1c(C#N)c(NC(=O)CN(C)[C@@H](C)c2nc3ccccc3s2)n(C2CCCC2)c1C 14072980 NJDVLRKYEHXEOO-KRWDZBQOSA-N 435.597 5.333 30 20 IKED CCc1cccc(CC)c1Nc1nnc(SCC(=O)[C@H](C#N)c2nc(C)cs2)s1 16327971 OXQWEOJZKVOKRL-HNNXBMFYSA-N 443.623 5.140 30 20 IKED Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)cc1 16791861 KTCKHCONATWEMQ-AWEZNQCLSA-N 438.578 5.366 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccoc1C 21134371 AKRFTTNFEQBHRN-UHFFFAOYSA-N 446.532 5.556 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc3ccccc23)nnc1-c1ccc(OC)cc1 23554298 QEHMPPBRWLNTEG-QGZVFWFLSA-N 444.560 5.412 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2C(C)C)c1 23584762 CIZPQJLXZCRJOK-IBGZPJMESA-N 448.592 5.022 30 20 IKED Cc1cc(C)cc(-c2nnc(S[C@@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)o2)c1 26497650 RHIVCHZGCPOFRX-IBGZPJMESA-N 434.565 5.398 30 20 IKED N#C[C@H](C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1nnc2n1CCCCC2 60851296 HWHIHFQQXWUPFF-HXUWFJFHSA-N 436.968 5.440 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 62905287 ISLZVQZEHLLVAH-UHFFFAOYSA-N 441.478 5.458 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC3CCN(Cc4ccccc4)CC3)cc2)cc1 72040980 PKVXZNMJFHZVKG-UHFFFAOYSA-N 426.520 5.137 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](CCC)c2ccccc2)nnc1-c1ccccc1F 216507698 IINKDTMRFTZBIJ-UWJYYQICSA-N 438.572 5.408 30 20 IKED C=CCN(C(=O)c1ccnc(SC)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 303019585 QTXQQCKKKORQRF-UHFFFAOYSA-N 436.389 6.067 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 303068843 OBWYZJCYSBTDSF-HSZRJFAPSA-N 435.911 5.228 30 20 IKED Cc1cccc(COc2cccc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c2)c1 303170704 BHKHQTZTVGYRLA-UHFFFAOYSA-N 426.516 5.129 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 303341120 LOJAAJNEUIOUMY-XXBNENTESA-N 443.572 5.581 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2cccc(OC(F)F)c2)cc1Cl 409793857 OBLWAPTYJZTFGT-FQEVSTJZSA-N 426.850 5.778 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 409804751 CPGGPGPHQKSBCG-SQJMNOBHSA-N 427.504 5.640 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)c1 426067922 VWPKCKGZSQLMOI-UHFFFAOYSA-N 434.446 5.418 30 20 IKED CCOc1nc(C(F)(F)F)ccc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 429111414 DVPQZIOESIMOTP-LLVKDONJSA-N 425.819 5.252 30 20 IKED CC(C)(c1ccc(NC(=O)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1)C(F)(F)F 429920698 FMHOVXRJGDTYCQ-UHFFFAOYSA-N 436.327 5.262 30 20 IKED C=CCN(CCC#N)C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 432675792 MEBXBTXAVCLMFZ-UHFFFAOYSA-N 434.393 5.030 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC(C)(C)[C@@H]1c1ccncc1 432846449 JZBZPEVRGRWZBB-DEOSSOPVSA-N 426.520 5.456 30 20 IKED N#CCCC[C@H](NC(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1ccccc1 433264646 BFLHCKRZWRCECX-SFHVURJKSA-N 429.311 5.131 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccc2c(c1)CCC(=O)N2 438656030 OKLLVMHWFQDHRJ-OAHLLOKOSA-N 444.466 5.257 30 20 IKED CC(C)(C)Oc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 438782837 YWIAALQQNYKWQR-UHFFFAOYSA-N 447.466 5.244 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)Nc1ccc(CCC(F)(F)F)cc1 441345531 HHMSXKCNIDSHCM-AWEZNQCLSA-N 435.471 5.010 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cc(C(=O)N(C)C)ccc1OC)c1ccc(C(F)(F)F)cc1 442191718 HQNJIMROKISVCJ-GOSISDBHSA-N 449.473 5.245 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)Nc3ccc4ccoc4c3)cc2Cl)c1 443655096 NVIJFXIRMUUWNW-UHFFFAOYSA-N 445.862 5.114 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 443939266 KJLVYMMENTZPJM-MRXNPFEDSA-N 448.514 5.454 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CC[C@@H](COCc2ccccc2)C1 460518117 DLLOHFQUHRLKSL-OAQYLSRUSA-N 428.557 5.388 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1 463128069 PYGCRIRGIAFQBM-ISKFKSNPSA-N 428.557 5.501 30 20 IKED C[C@@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccc(Br)s1 463135496 BUKPXKCJCCTISX-LLVKDONJSA-N 432.368 5.172 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)cc1 463578274 ODAXBLKFDMMEAT-WOJBJXKFSA-N 436.433 5.491 30 20 IKED C[C@@H](C(=O)N(C)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1cccc(C#N)c1 463814318 LVGYXTUHCCYHDJ-OAHLLOKOSA-N 425.410 5.531 30 20 IKED CSc1cccc([C@@H](NC(=O)CSc2ccc(C#N)cc2)c2ccc(F)c(F)c2)c1 464114386 KTIBNRQHPAQHMS-HSZRJFAPSA-N 440.540 5.556 30 20 IKED Cc1nc2cc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)ccc2n1Cc1ccsc1 464421096 RRAIWAVBLHUORR-QGZVFWFLSA-N 440.450 5.358 30 20 IKED Cc1cc([C@@H](C#N)C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])nc(C)n1 467834271 ICVLFRULTIMHKR-QGZVFWFLSA-N 438.896 5.296 30 20 IKED COc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1OC(C)C 468627713 BLRWWZYGCNQJIH-UHFFFAOYSA-N 432.545 5.899 30 20 IKED Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)o1 470544911 ANZJYFOBQIIRNG-VGSWGCGISA-N 434.540 5.176 30 20 IKED C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 471273850 SCFYQMLIMBRNLM-CXAGYDPISA-N 437.849 5.595 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3nc(C4CCCC4)no3)cc2Cl)cc1 474247916 OYBHGFYDOYRJMN-UHFFFAOYSA-N 436.899 5.616 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](CC)c1nc(C(F)(F)F)cs1 475294682 DLWBJGBZEMXTCF-OAHLLOKOSA-N 439.503 5.220 30 20 IKED CC(=O)Nc1ccc(NC(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)cc1 479038052 BWPBWWNKMXCEQW-UHFFFAOYSA-N 448.548 5.236 30 20 IKED COc1cccc(Cl)c1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 479955419 LROLXWOKBYIYHF-UHFFFAOYSA-N 435.911 5.315 30 20 IKED CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 481029770 BNSYMCIHSGYCOX-QGZVFWFLSA-N 445.972 5.026 30 20 IKED C=CCN(CC1CCCCC1)C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 485263902 YCUVXRAIRWGYOG-UHFFFAOYSA-N 442.581 5.483 30 20 IKED Cc1c(C(=O)N[C@@H](CCCC#N)c2ccccc2)cnn1-c1cccc(Br)c1 487294395 CZFTVXGEVHOPAC-NRFANRHFSA-N 437.341 5.108 30 20 IKED C=CCn1c(SCc2csc(-c3ccccn3)n2)nnc1-c1cccc(Cl)c1 489641666 OAJWPCUPRFAJCG-UHFFFAOYSA-N 425.970 5.595 30 20 IKED C=CCn1c(S[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)nnc1-c1ccccc1 499199003 XOOSKONXMYXLKF-GOSISDBHSA-N 444.482 5.048 30 20 IKED CCN(C(=O)c1oc2ccccc2c1CSc1ncccn1)[C@@H](C)c1ccc(C#N)cc1 499371211 HYVFREXIEHNFOU-KRWDZBQOSA-N 442.544 5.610 30 20 IKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 499815533 UBDJXIPNEYMSIL-IBGZPJMESA-N 447.753 5.373 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)C(=O)N(C)Cc2cccc(C#N)c2)c(C(F)(F)F)c1 501449926 LSULJTGPULADHP-AWEZNQCLSA-N 449.498 5.065 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)Nc3cccc(COCc4ccco4)c3)c2)cc1 503225096 KQWQDYXQTOWTGP-UHFFFAOYSA-N 439.471 6.304 30 20 IKED CCCN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@@H](C)CC(=O)Nc1ccccc1 504252165 CXOQWVGQLRODEB-FQEVSTJZSA-N 430.552 5.215 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)CCCCc3ccc(Br)cc3)CC2)cc1 504711104 GPZJGWYKAVCQPK-UHFFFAOYSA-N 441.369 5.104 30 20 IKED N#Cc1cnn(-c2ccccc2)c1NC(=O)CSc1ccc(Cl)c(C(F)(F)F)c1 506618258 MLKAOSZNPPMKOD-UHFFFAOYSA-N 436.846 5.147 30 20 IKED COCCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)[C@H](C)c1ccccc1 508274036 BLEKJAYLAKQSHV-LJQANCHMSA-N 445.519 5.601 30 20 IKED COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 509671436 FCQLOVLHCHSFEM-INIZCTEOSA-N 432.501 5.256 30 20 IKED C[C@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1cccc2ccccc12 510247287 WMDRSYFROSCLEH-HNNXBMFYSA-N 445.573 5.738 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 510732393 PVGXIOZKMVRPOK-JOCHJYFZSA-N 443.482 5.009 30 20 IKED N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)n1 512106742 ADHQVYBHKUDWPM-JKSUJKDBSA-N 443.507 5.181 30 20 IKED N#Cc1c(F)cccc1-n1ccc(NCc2cc(Cl)ccc2OCc2cccnc2)n1 512386823 JHMBSMAFMPFMGW-UHFFFAOYSA-N 433.874 5.123 30 20 IKED COc1cc(F)c([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC 512523016 CBHVEUPJMFKKDQ-HNNXBMFYSA-N 435.455 5.390 30 20 IKED Cn1c([C@H](C#N)C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)nc2ccccc21 513665329 DKISUPYWBPCQLV-QGZVFWFLSA-N 449.436 5.145 30 20 IKED N#C[C@@H](C(=O)c1ccc(C(F)(F)F)cc1N1CCCC1)c1nc2ccccc2n1C(F)F 513667543 RTIJAMKHZVPQQM-HNNXBMFYSA-N 448.395 5.540 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(Cc1cccs1)C12CC3CC(CC(C3)C1)C2 518385172 YJFMCTCMKQEBEC-UHFFFAOYSA-N 449.620 5.267 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2)cc1 519124690 SAHMZASOIRQNAT-UHFFFAOYSA-N 428.448 5.111 30 20 IKED C=CCN(C(=O)c1ccn(-c2cc(C)ccc2OC)n1)c1nc(-c2ccccc2)cs1 519957817 BHHBXSONCUXTMB-UHFFFAOYSA-N 430.533 5.146 30 20 IKED CC(C)NC(=O)Nc1ccc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 520937051 ORCRFGSNSWYGHP-UHFFFAOYSA-N 443.507 5.202 30 20 IKED C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 521308591 ZWUYDSRKLKHBJA-NRFANRHFSA-N 439.559 6.164 30 20 IKED Cc1cc(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1[N+](=O)[O-] 522359902 PUTVLGZJJOYWRS-IBGZPJMESA-N 441.896 5.013 30 20 IKED N#Cc1ccccc1CSCCNC(=O)Nc1cccc(CSC2CCOCC2)c1 522597873 GVULSRCNDLONIY-UHFFFAOYSA-N 441.622 5.025 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2sc(C3CCCCC3)nc2C)c1C#N 527078006 ZLERCCOJHKPXHJ-UHFFFAOYSA-N 437.594 5.531 30 20 IKED CCN(C(=O)Cc1csc(COc2ccc(C)cc2)n1)c1ccc(C#N)c(Cl)c1 534383997 JNDNKUMSRHOGOH-UHFFFAOYSA-N 425.941 5.151 30 20 IKED C=C[C@H](CC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1)c1ccccc1 536296106 VBKYHEVUQBJWDX-LSDHHAIUSA-N 426.314 5.036 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(OC(F)F)cc(OC(F)F)c1 538293355 GBENHWPSEIBRTR-NSHDSACASA-N 428.407 5.393 30 20 IKED C[C@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)c1ccc(C2(C#N)CC2)cc1 540760241 TZYJGPKNBPWXJS-FQEVSTJZSA-N 435.527 5.214 30 20 IKED Cc1nn(-c2ccccc2)cc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 541907889 UALVPYJEWGSVJH-UHFFFAOYSA-N 439.494 5.426 30 20 IKED O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 542568118 DXTSFIAYSLTBNL-IAGOWNOFSA-N 435.339 5.513 30 20 IKED N#CCc1ccc(CS(=O)(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 543145642 WVYRWJXSHGSANN-UHFFFAOYSA-N 436.480 5.010 30 20 IKED O=C(Cc1ccncc1)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 544027978 WXQSLARWZUAHDT-CQSZACIVSA-N 430.270 5.082 30 20 IKED CCCOc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC(C#N)(c2ccccn2)CC1 548902104 NFAXJOIUEJRTMB-QFIPXVFZSA-N 434.584 5.225 30 20 IKED C[C@@H](NC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C#N)cc1 551218466 QPLLFWLZDOMPNM-GFCCVEGCSA-N 429.364 5.498 30 20 IKED N#CCCN(C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1ccc(F)cc1 554286316 FFZKJGILZBWPIM-UHFFFAOYSA-N 434.323 5.745 30 20 IKED COc1ccc(-c2ocnc2C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 554772089 IOUWVYWNRANXGA-QGZVFWFLSA-N 435.892 5.617 30 20 IKED Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C)(C#N)CC3)n2CCc2ccccc2)c1C 555195588 HSZXCOYCIBLVGX-QFIPXVFZSA-N 443.595 5.408 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1csc([C@H](C)OCC)n1 555247406 JUOJGVXPWFUWRC-HNNXBMFYSA-N 431.993 5.365 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCn2c(cc3ccc(Cl)cc32)C1 555252077 HADDZFQAAZYAOA-UHFFFAOYSA-N 447.970 5.199 30 20 IKED Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCC(C#N)CC2)n1Cc1ccccc1 558908116 ZFALNIYGJGOMPP-UHFFFAOYSA-N 440.576 5.165 30 20 IKED C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 571465481 XPIFWENTIMAKLR-TYPHKJRUSA-N 445.007 5.004 30 20 IKED C[C@H](Cc1ccc(F)cc1Br)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 576187993 LLWVGVUXPAQSPS-OAHLLOKOSA-N 444.348 5.214 30 20 IKED COc1cc(OC)c2ncc(C#N)c(Sc3nnc(-c4cccc5ccccc45)o3)c2c1 576214662 CFFUZNVDIUEUPX-UHFFFAOYSA-N 440.484 5.478 30 20 IKED COc1ccc(CNc2ccc(Oc3ccnc(C#N)c3)cc2)c(OCc2cccnc2)c1 582455794 MEQUIMHFPKSZHB-UHFFFAOYSA-N 438.487 5.340 30 20 IKED C=CCOc1ccc(CNC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 583102439 BYTGSAJKCOQKLA-UHFFFAOYSA-N 446.334 5.247 30 20 IKED COc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)ccc1OCc1cscn1 603507276 KDFUXFRNPGEBKG-CYBMUJFWSA-N 439.562 5.041 30 20 IKED CCCN(CCc1cccc(F)c1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 603589023 MVFMCEVAUAAPCQ-GJZGRUSLSA-N 442.419 5.699 30 20 IKED CCCc1ccc([C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c2cccs2)cc1 603705498 IXYRLVOSGNMHOG-QHCPKHFHSA-N 445.588 5.346 30 20 IKED Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)Sc4cc(C#N)ccn4)cc3)sc2c1 603724812 DIZVLJAFZHARSL-OAHLLOKOSA-N 430.558 5.658 30 20 IKED Cc1cc(Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)n2c(nc3ccccc32)c1C#N 603858108 KAWQFGMFRALIQJ-UHFFFAOYSA-N 439.450 5.704 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 609060771 DPFXBYRYCSSPAV-MZNJEOGPSA-N 439.515 5.293 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccn(-c4cccc(F)c4)n3)cc2Cl)c1 609062248 ITUTVDVXLYQGSL-UHFFFAOYSA-N 446.869 5.368 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 609080730 KGFMGTWYCYGSCC-UHFFFAOYSA-N 439.437 5.820 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)c2)cc1 609176680 RSPMAHRLQRMBKG-UHFFFAOYSA-N 431.879 5.383 30 20 IKED COc1cc(OC)c(NC(=O)CNc2cccc(Oc3ccc(C#N)cc3)c2)cc1Cl 609221176 DDWVMXGCPJPGOK-UHFFFAOYSA-N 437.883 5.072 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(NC(=O)C2CCCC2)c1 609434695 JOQJBWRXAAGBHN-KRWDZBQOSA-N 436.581 5.531 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCCCOc2cccc(C#N)c2)cc1 609501383 JSBGPRBLPGYIIJ-UHFFFAOYSA-N 441.506 5.347 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1Oc1ccncc1 609642155 ABOPAQWHFYOGJV-UHFFFAOYSA-N 448.482 5.559 30 20 IKED Cc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1NC(=O)NC(C)(C)C 610124478 OBVISALEQOEDSQ-UHFFFAOYSA-N 443.507 5.226 30 20 IKED N#Cc1ccc(-c2nnc(CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)o2)cc1 610218384 IIBBALBAYZGQAS-UHFFFAOYSA-N 436.496 6.223 30 20 IKED Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 610319901 MSJZPZPXHOAXIP-OFVILXPXSA-N 442.519 5.343 30 20 IKED Cc1ccc(Sc2c(Cl)cccc2NC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)cc1 610385525 IIGFRQMKKKNNAB-MRXNPFEDSA-N 449.963 5.487 30 20 IKED N#Cc1ccc(CNC(=O)N(Cc2ccccc2OC(F)(F)F)C2CCCC2)c(F)c1 610402565 RFPFYKZOMATOLX-UHFFFAOYSA-N 435.421 5.250 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 611261874 QFGQPPJZWWOZFC-UHFFFAOYSA-N 444.506 5.098 30 20 IKED COc1ccccc1OCC(=O)Nc1cccc(N[C@@H]2CCCc3cc(C#N)ccc32)c1 611468770 ZVAFFWHMVBDXRI-HSZRJFAPSA-N 427.504 5.074 30 20 IKED Cc1ccnn1-c1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 613404923 QOBYVRANCGRXIN-INIZCTEOSA-N 426.423 5.299 30 20 IKED Cc1noc(-c2ccccc2)c1NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 616170452 BAAWSPQYIADNBR-UHFFFAOYSA-N 437.459 5.418 30 20 IKED O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 674646465 CQDFZGRAPNDJMV-RHYQMDGZSA-N 428.339 5.127 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)c3c(Cl)cccc3Cl)n2)cc1 726325306 NJWIBKFZXAXTSI-IUODEOHRSA-N 431.344 6.105 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCO[C@H](c3ccccc3Br)C2)c1 727594339 DAVBVUHPYDLTGL-FQEVSTJZSA-N 431.330 5.009 30 20 IKED CCOc1ccccc1NC(=O)CNc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728052370 BWTOSUSUJTTWGW-UHFFFAOYSA-N 435.911 5.240 30 20 IKED CCn1c(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)nc2ccccc21 728119813 SJYPXHJESVEPHI-UHFFFAOYSA-N 439.519 5.137 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)cc1 730274490 RANPAJUCOOWKQK-RUZDIDTESA-N 430.479 5.075 30 20 IKED C[C@@H](c1ccccc1)n1c(SCc2ccc(OCC#N)cc2)nc2ccccc2c1=O 731155953 CAFCQBKYGJWVHQ-SFHVURJKSA-N 427.529 5.200 30 20 IKED Cc1nc2ccccc2n1Cc1cc(NC(=O)Cc2ccc(OCC#N)cc2)ccc1Cl 732016552 CXSUNPQZQDLUQH-UHFFFAOYSA-N 444.922 5.130 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2sc3cc(Cl)ccc3c2Cl)ccc1OC 733227663 CIKMHHFAAXYRQZ-AWEZNQCLSA-N 449.359 5.828 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)c1 733803461 XPMQEFZXMWSJHC-WIYYLYMNSA-N 448.592 5.668 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2ccc(Cl)cc2)c2cccs2)c1 733807032 QAZIRISJVNKQRN-SIKLNZKXSA-N 439.968 5.671 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(COc3ccc(C)nc3)c2)cc1 734080524 UPAQUIZSGGTTIV-VWLOTQADSA-N 441.531 5.273 30 20 IKED CC(C)CC(=O)Nc1cccc(CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1 740038170 INORQUNAZSUKNY-UHFFFAOYSA-N 446.576 5.271 30 20 IKED C=CCOc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)CC(F)(F)F)cc2)cc1Cl 741840951 CFUKDSVJNNSVGE-YCRREMRBSA-N 444.858 5.137 30 20 IKED COc1ccc(/C=C(/C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cc1C#N 741846706 BJPUQGOYDGAQOK-KGENOOAVSA-N 444.918 5.742 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1cccc(COC)c1)C(=O)c1ccccc1 742431276 GNSZCYRFJAJCML-XIEYBQDHSA-N 427.544 5.863 30 20 IKED CCn1nc(C)c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1Cl 744035153 KTBWLCMJSXWXHF-GFCCVEGCSA-N 439.755 5.785 30 20 IKED C=CC[C@H](NC(=O)C(=O)Nc1ccc(Sc2ccc(C)cc2C)cc1)c1ccncc1 749726867 RLTSEOHGTUNCDU-QFIPXVFZSA-N 431.561 5.222 30 20 IKED C=CCn1c(S)nnc1-c1sc(NC(=O)[C@H](C)c2ccc3ccccc3c2)nc1C 753297287 GWUVXUNTLFZLNP-CYBMUJFWSA-N 435.578 5.080 30 20 IKED C[C@H](C#N)CN(Cn1nc(Nc2ccc(SC(F)F)cc2)sc1=S)C1CC1 753976157 FPMBWDCZJLBHCV-LLVKDONJSA-N 427.571 5.314 30 20 IKED N#Cc1cc(F)c(C(=O)OCC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)c(F)c1 756593851 XBNJPOMAEXJVIN-UHFFFAOYSA-N 442.805 5.078 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](c2ccc(F)cc2F)C(C)(C)C)ccc1OC 758773831 HBKRKNRCOSZKED-VGSWGCGISA-N 445.510 5.241 30 20 IKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(C2CC=CC2)C1=O)Nc1ccccc1F 759692053 WNGNWWHJGFHTIO-LJQANCHMSA-N 443.931 5.158 30 20 IKED CC(C)(C)OC(=O)NCCc1noc(-c2ccc(Oc3ccccc3C#N)c(Cl)c2)n1 761589202 SPKMDVSVDDHLJR-UHFFFAOYSA-N 440.887 5.121 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCCOc1ccc(C)cc1Cl 766258042 UUOQBQXCCAJKMK-IBGZPJMESA-N 426.944 5.280 30 20 IKED Cc1ccc(C(=O)CCCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 766276028 UBNXTPDNBQAPQZ-JOCHJYFZSA-N 440.499 5.488 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1CN(CCC#N)Cc1ccccn1 769335564 LYESXZSCWYIUOK-UHFFFAOYSA-N 448.785 5.511 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1sc(C2CCCCC2)nc1C 775228390 TZZHCLNIMLEERP-HNNXBMFYSA-N 445.972 5.431 30 20 IKED C=CCC[C@@H](C(=O)OCc1csc(N(C(C)=O)c2cccc(C)c2C)n1)c1ccccc1 778553611 XEMLWBYUIRDKAK-HSZRJFAPSA-N 448.588 6.238 30 20 IKED C[C@@H](C#N)Oc1ccccc1NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 779742006 IUQUJNIVBUYLLK-HRAATJIYSA-N 448.910 5.014 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@H](C#N)C(=O)NCc3ccccc3)c3ccccc3n2)c(C)c1 780305138 DCMXXQVJIJXGLT-DEOSSOPVSA-N 433.511 5.158 30 20 IKED COc1ccc(NC(=O)Nc2ccccc2O[C@H](C)C#N)cc1NC(=O)C1CCCCC1 780579231 MSKUMFNTCWNLMS-MRXNPFEDSA-N 436.512 5.149 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 780675387 WEQQMGSQCHASTH-QZTJIDSGSA-N 447.535 5.169 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(C#N)cc2F)ccc1OCC(=O)Nc1ccccc1 781108785 SRKVOROKRUNUCX-FMIVXFBMSA-N 444.462 5.010 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(OC3CCCC3)cc2)cc1 783213391 DNOSLTIAHABVKU-RUZDIDTESA-N 439.515 5.241 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 788348824 MFWYINWUEUOYQU-QXAKKESOSA-N 438.936 5.461 30 20 IKED COc1cccc([C@@H](C)CCCC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1 789393935 VTQDQPALPZZJNG-HNAYVOBHSA-N 449.576 5.435 30 20 IKED CCOc1c(Cl)cccc1CC(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 791785537 YSGXLWRIBJRRBW-QGZVFWFLSA-N 426.925 5.290 30 20 IKED N#CCCn1cc(C(=O)COC(=O)c2cc(Br)ccc2Cl)c2ccccc21 792418538 KVDLZSNDKOAYHN-UHFFFAOYSA-N 445.700 5.011 30 20 IKED C=CCn1c(-c2ccccc2C)nn(CN2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1=S 795693703 MCPRSZUBQRXIHI-WXFUMESZSA-N 446.620 5.038 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)s1 797571490 RZUPXBNDBCMRPF-VQTJNVASSA-N 431.561 5.178 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)s2)c(F)c1 800384049 NONUZXDGHBUSQF-KRWDZBQOSA-N 447.491 5.261 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl)c1ccccc1 814615694 OCGNKKHDJJGRCI-ZWKOTPCHSA-N 448.419 6.529 30 20 IKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H](C)c1ccccn1 837301696 NSWCNXHQRJAPMA-GCJKJVERSA-N 444.560 5.112 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccco2)cc1C 916217209 HZHQLOHDGHLEKB-OAQYLSRUSA-N 433.533 5.057 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cc(-c2ccncc2)nc2ccccc12 916559817 VKIJIKGYCHTIEZ-UHFFFAOYSA-N 429.863 5.440 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1oc2c(ccc3ccccc32)c1C 916901235 BVFSKDWHIDWRCV-GOSISDBHSA-N 446.890 5.826 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cccc(OCc2cccs2)c1 916905971 GDLZWTLSIYBOEW-JOCHJYFZSA-N 432.545 5.413 30 20 IKED CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916928473 LXTUDCJQQVPXIP-NEVJAFOQSA-N 425.356 5.118 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCCc2ncc(-c3ccccc3)o2)cc1 916950228 SJSFCMRIMXXFJO-XMSQKQJNSA-N 429.520 5.525 30 20 IKED CCN(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)Cc1ccc(Cl)c(Cl)c1 917407807 DBAWJJONLTYARM-MRXNPFEDSA-N 425.319 5.053 30 20 IKED COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)c(OC)c1 917558467 SNTLPQZIDBOVMA-WDZFZDKYSA-N 442.924 5.394 30 20 IKED CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cc3ccccc3o2)cc1 917612006 BFYDUYXRDZIGBY-UHFFFAOYSA-O 440.548 5.868 30 20 IKED CNC(=O)C[C@H]1SC(=Nc2ccc3ccccc3c2)N([C@H](c2ccccc2)C2CC2)C1=O 917702397 SZLJUHFYNADTIO-ISKFKSNPSA-N 443.572 5.059 30 20 IKED C[C@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc2ccccc2c1 919087988 CDEBXGFQCQTPNV-KRWDZBQOSA-N 441.487 5.480 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(Cl)s2)n1 920104288 PTZYYYZBPHYGAH-LBPRGKRZSA-N 425.922 5.520 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccnc(OCC(C)C)c3)cc2)CCC1 1788663181 OTUDENPRBFNKGJ-UHFFFAOYSA-N 447.579 5.058 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ncccc34)CCC2)cc1 1789453577 BFFMSNJHWOHQPD-HXUWFJFHSA-N 428.536 5.079 30 20 IKED Cc1cc2cccc(C(=O)NC3(c4ccc(NC(=O)c5cccc(C#N)c5)cc4)CCC3)c2[nH]1 1790257047 CMZTXUSPBUJCAF-UHFFFAOYSA-N 448.526 5.410 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(C)cccc2C)[C@@H]1c1cccnc1 1811388371 LJKVXOOWJPWKQW-VWNXMTODSA-N 433.596 5.010 30 20 IKED CC(C)[C@H]1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)CC1 1822104130 JMJCQZGPXLPGET-TXTKFYIRSA-N 447.583 5.050 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 1828461321 YOEXUCIWIHETRU-OZHIHCJWSA-N 428.661 5.425 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccccc2F)CC1 1828830033 PPYAISZPNGHBKJ-ILBGXUMGSA-N 440.603 5.146 30 20 IKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(N(C)C)cc2)c1 10172602 QSEFXRJPCWAZLL-UHFFFAOYSA-O 432.613 5.325 30 20 IKED Cc1ccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(N(C)C)cc2)cc1 10173285 WMEGCOAXXPXVIC-UHFFFAOYSA-O 432.613 5.523 30 20 IKED O=C(/C(=C(\S)Nc1ccc(F)c(Cl)c1)[n+]1ccccc1)c1ccc(Cl)s1 10757578 TVPOGKYHQKQVEF-UHFFFAOYSA-O 426.345 5.532 30 20 IKED CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1 11531682 MREMQZBALPTKLD-UHFFFAOYSA-N 434.970 5.059 30 20 IKED N#CCCCSc1nnc(-c2ccc(Br)cc2)n1CCc1ccccc1 12695579 FMOPGUJZVRCVLA-UHFFFAOYSA-N 427.371 5.346 30 20 IKED C=CCn1c(SCc2nnc(CC)o2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 24830113 XANVLAPKRDMUTF-HNNXBMFYSA-N 443.642 5.581 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1ccc(Cl)cc1C 32785816 GTCVHXVHBXDPOC-INIZCTEOSA-N 426.973 5.136 30 20 IKED N#C[C@@H](C(=O)c1ccc(OCC(F)(F)F)cc1)c1nc(-c2c(F)cccc2F)cs1 64715227 DWSRSWWRZZKZRU-ZDUSSCGKSA-N 438.377 5.519 30 20 IKED CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C 71907190 PXPNGUKWEWEOTQ-IBGZPJMESA-N 435.911 5.369 30 20 IKED CC1(C)OB(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)OC1(C)C 201239610 ROYFLNYWQSCHKL-UHFFFAOYSA-N 445.371 6.750 30 20 IKED F[C@@H](C(F)(F)F)C(F)(F)Oc1ccc(CNCc2nc(C(F)(F)F)cs2)cc1 237686826 JSHBIXUABNNISD-LBPRGKRZSA-N 438.315 5.324 30 20 IKED C[C@H](Oc1ccc(F)cc1Br)C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 303594007 PHKKZZACGJWGQX-LKFCYVNXSA-N 446.103 5.043 30 20 IKED Cc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1C(=O)NC(C)C 303630938 FSEMHXHWJFKKDA-UHFFFAOYSA-N 447.922 5.703 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2coc(-c3cccs3)n2)c1 303653138 KXQLJJDDPLOUJR-UHFFFAOYSA-N 435.892 5.650 30 20 IKED N#CCCn1ncc(C(=O)N2CC=C(c3cccc4ccccc34)CC2)c1-c1ccccc1 429652005 LAPYSSCHXIGPGR-UHFFFAOYSA-N 432.527 5.546 30 20 IKED CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N[C@H](CCCC#N)c1ccccc1 431462813 CLHGLZNRKSNJSZ-HBGVWJBISA-N 444.373 5.259 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC(C)(C)[C@H]2c2cccnc2)cc1 432851584 ONQZUTZEBCOEJS-HSZRJFAPSA-N 428.492 5.369 30 20 IKED CC(C)Cn1ncc(NC(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)c1C(F)F 433216022 UBXZEDJFWPBOSG-UHFFFAOYSA-N 442.335 5.741 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCSc1ccnc2cc(Cl)ccc12 434008981 TWKVUZJFICFKBW-HNNXBMFYSA-N 442.009 6.261 30 20 IKED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 436342702 VFMBERSTEGJBKD-OXQOHEQNSA-N 447.457 5.060 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(Cc1ccccc1)C1CCCCC1 437280026 YMUYSQCSYOZASR-IBGZPJMESA-N 435.593 5.238 30 20 IKED C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@@H](c2ccc(F)cc2)O1 438210393 FJVIESIFJHVASG-XDHUDOTRSA-N 431.467 5.484 30 20 IKED COc1ccc(Oc2cc(CNC(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)ccn2)cc1 438656138 MKWNRRWZBYKJJL-UHFFFAOYSA-N 442.397 5.095 30 20 IKED CCCc1c(NC(=O)CCC(=O)c2ccc3ccccc3c2)cnn1-c1cccc(C#N)c1 440089828 SNHKOQZBKRXGPG-UHFFFAOYSA-N 436.515 5.451 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)Nc3cccc4ccsc34)c2)cc1 442231946 AZEMJMKSWUMJKK-UHFFFAOYSA-N 441.512 5.124 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(SCc3cccnc3)cc2)c2ccccc21 443909318 QWZCZWVUBKHPGA-UHFFFAOYSA-N 426.545 5.885 30 20 IKED COc1cc(Cl)c(Cl)cc1C(=O)Nc1c(C#N)c(SC)nn1-c1ccccc1 445565134 SBGWUTNRZPMAGH-UHFFFAOYSA-N 433.320 5.034 30 20 IKED Cc1cc(C[C@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)n(-c2ccccc2)n1 448373516 QQZNPUMNWNCWSK-ROUUACIJSA-N 433.581 5.185 30 20 IKED Cn1cc(CN[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c(-c2ccc(C#N)cc2)n1 463716542 LMMLCDKAFVDLMW-OAQYLSRUSA-N 443.551 5.389 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)cc1 464858885 WZAURQBMYAJDDI-UHFFFAOYSA-N 426.476 5.219 30 20 IKED N#CCN1CCN(C(=O)c2sc3ccccc3c2CSc2ccccc2Cl)CC1 465143493 HFPPXZCRCJWWLX-UHFFFAOYSA-N 442.009 5.128 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(OC3CCC3)c(F)c2)cc1C 465462888 LJMFRSBWUBISLH-UHFFFAOYSA-N 432.499 5.403 30 20 IKED Cc1nc(CN2CCN(c3c(C#N)cnc4ccccc34)CC2)oc1-c1ccc(Cl)cc1 468278136 JJCZSDUEFISEKR-UHFFFAOYSA-N 443.938 5.046 30 20 IKED C[C@@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1nc(C(F)(F)F)cs1 470563584 IEKFLVNFGKBVNH-CYBMUJFWSA-N 431.439 5.104 30 20 IKED Cc1csc(NC2CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)n1 474809461 DSFUHDRRNFZVTQ-UHFFFAOYSA-N 448.617 5.332 30 20 IKED CN(C(=O)C[C@H](CC#N)c1ccccc1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 476049959 LUUSQUKJLDFLAU-SFHVURJKSA-N 439.437 5.943 30 20 IKED C[C@H]1C[C@@H]1c1ccc(CN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C2CC2)o1 479159371 HDUINKKSHKUYFK-RYQHOZGESA-N 433.552 5.339 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccccc1C 479747086 NPIFWBSMPZIITJ-CQSZACIVSA-N 447.391 5.866 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C 480130306 HPNIWKPPVFTCAO-NSHDSACASA-N 449.395 5.137 30 20 IKED C[C@@H]1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)[C@@H](c2ccco2)C1 480386463 TVCLUDGXCUZJRQ-NTKDMRAZSA-N 429.520 5.930 30 20 IKED C=C(C)[C@@H](NC(=O)Nc1cccc(Br)c1COC)c1ccc(F)c(F)c1 480635198 KCXNUXNIOHRARR-GOSISDBHSA-N 425.273 5.313 30 20 IKED CCN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)c1ccc(Br)cn1 481174844 VJVYBIHAUDUOMA-UHFFFAOYSA-N 438.350 5.534 30 20 IKED CC(C)CN(C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@H]1CCCc2cccnc21 481279364 UQAPWPGABLJIBZ-NRFANRHFSA-N 448.958 5.360 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N(Cc3ccccc3F)C3CC3)cc2F)c1 481652606 DCLWPLJMXPBLBG-UHFFFAOYSA-N 433.458 5.612 30 20 IKED Cc1c([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cnn1-c1ccc(F)cc1 481658074 OKACBVLZMBSCNU-GOSISDBHSA-N 433.531 5.120 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cnn(-c2ccc(F)cc2)c1CCC 483561977 MSIRHTQGTLHKKG-UHFFFAOYSA-N 438.551 5.352 30 20 IKED O=C(c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)N1CCC(C(F)F)CC1 484724679 HGOLGALQQVTVFJ-UHFFFAOYSA-N 441.322 5.027 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)CSc3cccc(C(F)(F)F)c3)s2)cc1 487359642 ZKAZQUXOMSZXGL-UHFFFAOYSA-N 433.480 5.355 30 20 IKED N#CCCC[C@@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccccc1 487472277 KNAXOVFKJPWVFK-HXUWFJFHSA-N 437.337 5.532 30 20 IKED CCC(C)(C)OCc1cccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1C 488785316 OHAIBQVOPKIRRA-UHFFFAOYSA-N 432.520 5.996 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)N[C@H](C#N)c2cccc(Br)c2)cc1 496274661 YENFNBWKMLTKLL-GOSISDBHSA-N 440.366 5.113 30 20 IKED CCc1ccc(-c2nc(CC(=O)N[C@@H](C#N)c3ccc(Br)cc3)cs2)cc1 499409647 WEIDXSCYIMFBAI-IBGZPJMESA-N 440.366 5.059 30 20 IKED CN(C(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12)C1(C#N)CCCCC1 499825985 CFGXOGAKOOTQLG-UHFFFAOYSA-N 434.540 5.213 30 20 IKED Cc1cc(N(C)C)cc(C)c1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 501224274 YVDDJIUJMQIXKV-UHFFFAOYSA-N 430.527 5.615 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3cccc(COCCc4ccccc4)c3)CC2)cc1 503498463 LUPKLNQPOQSLQE-UHFFFAOYSA-N 437.543 5.639 30 20 IKED N#C[C@H](NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1cccc(Cl)c1Cl 505356600 YHYOARFJBDCNBU-IBGZPJMESA-N 442.277 5.379 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2nc3ccccc3s2)cc1Cl 510023649 OATZCNAUKXKKCM-SFHVURJKSA-N 432.936 5.927 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CSc2nc(-c3ccccc3)ccc2C#N)cc1 510183770 VLAQVUHOFASIFG-UHFFFAOYSA-N 442.544 5.058 30 20 IKED C=CCOc1cccc(NC(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 510706202 XQPBHIQFAYPEFF-UHFFFAOYSA-N 433.474 5.056 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2cccc(C(F)(F)F)c2)cc1 511028072 KGAAMJVABGQREK-UHFFFAOYSA-N 431.458 5.184 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 514534005 DDKSFSOTLXNWHK-UHFFFAOYSA-N 445.523 5.057 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N(CCc2ccccc2F)C2CCCC2)o1 515635776 HZSJACPQVRMOFX-UHFFFAOYSA-N 432.495 5.497 30 20 IKED Cc1c(Cl)cccc1-n1ccnc1SCC(=O)Nc1cccc(OCCCC#N)c1 517460032 MTVCXIGVZJGBSE-UHFFFAOYSA-N 440.956 5.248 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CSc2ccccn2)c1 519173899 JMNIZBKCLRKYMX-UHFFFAOYSA-N 430.577 5.936 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(COCc2ccc(OC)cc2)c1 519250878 OEBQDPYZEMCVFX-UHFFFAOYSA-N 434.511 5.771 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 521899629 GRXYYLNGIJIPPT-AWEZNQCLSA-N 441.944 5.148 30 20 IKED Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)CCCCOc1cccc(C#N)c1 521951790 PLIOOKNRJIRKGC-UHFFFAOYSA-N 443.551 5.039 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccc(NC(=O)C2CC2)cc1 521954384 LGFCPLDIUGGCMK-SFHVURJKSA-N 439.515 5.384 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 523502267 QIAVFQYXLDTOMP-CQSZACIVSA-N 447.457 5.045 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)c3cccc(COc4ccc(C#N)cc4)c3)CC2)cc1 523742856 VNTGHTNCPUCHCC-UHFFFAOYSA-N 438.527 5.181 30 20 IKED COc1ccccc1CCN(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 524660945 LVAGKXRLHLSJDE-UHFFFAOYSA-N 429.520 5.047 30 20 IKED N#C[C@H](NC(=O)CCC(=O)c1csc2ccccc12)c1ccc(OC(F)(F)F)cc1 530798246 ZKBQVBIKQLKIAT-KRWDZBQOSA-N 432.423 5.144 30 20 IKED C[C@H](Sc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)cc1Br 531761402 QYNUXGLTEFRDLT-JTQLQIEISA-N 440.160 5.203 30 20 IKED CC(C)Oc1cccc(CN(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 533763098 HVJJYGXMADDZNI-UHFFFAOYSA-N 442.519 5.262 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)cc1 536815077 HGVOXGQTAPLGAA-JYFHCDHNSA-N 441.531 5.231 30 20 IKED CCOc1cccc([C@@H]2C[C@@H]2NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 540528833 APZBYODNRDVISH-ZEQRLZLVSA-N 428.557 5.535 30 20 IKED Cc1ccc(NC(=O)[C@@H]2CCc3ccccc3N2C(=O)c2ccc(C3(C#N)CC3)cc2)cc1 540732122 BXUGVJDNYZEUTA-VWLOTQADSA-N 435.527 5.151 30 20 IKED Cc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)nn1-c1cccc(F)c1 540876018 SGPCHVCQASRNHS-UHFFFAOYSA-N 440.478 5.217 30 20 IKED COc1coc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)cc1=O 541194716 UAUKBYKVCOBHRR-CQSZACIVSA-N 449.269 5.079 30 20 IKED O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1c(F)cc(Br)cc1F 541271791 KIIOVXWBAHDKQB-CYBMUJFWSA-N 430.117 5.039 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)Nc3cccc(COCc4ccco4)c3)n2)c(Cl)c1 542026738 UMYUHPTZIUZECJ-UHFFFAOYSA-N 447.882 5.351 30 20 IKED N#CCCn1cc(CN2CCC[C@@H]2c2ccc(Br)s2)c(-c2ccccc2)n1 542483194 HUJAHRLUDKRVGH-GOSISDBHSA-N 441.398 5.625 30 20 IKED N#CCC1CCN(C(=O)c2ccccc2SCc2ccc(Br)cc2)CC1 543837949 JPSRKVURDASAOQ-UHFFFAOYSA-N 429.383 5.507 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 543880202 GXKSJNWLABZIHS-GJZGRUSLSA-N 437.491 5.165 30 20 IKED Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 549063671 FJZJKXZJDRLHLR-UHFFFAOYSA-N 449.917 5.075 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC(C)(C#N)CC1 549656920 ROZAAAWWZSNZRG-SFHVURJKSA-N 427.980 5.395 30 20 IKED N#Cc1cc(C(=O)Nc2nc(C3CC3)c(Cc3ccc(F)cc3)s2)cnc1C(F)(F)F 550508121 ZGUUGLMDEVDVSJ-UHFFFAOYSA-N 446.429 5.288 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 555241873 AAZOJVWKLYWZLI-FIKGOQFSSA-N 442.560 5.161 30 20 IKED Cc1ccc2c(N3CCC(F)(c4cccnc4)CC3)c(C#N)cnc2c1Br 561321295 CFTSSXXGUAOOCL-UHFFFAOYSA-N 425.305 5.038 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(O)ccc2C(F)(F)F)cc1 569862279 ZZRGJLMKCFOUNJ-UHFFFAOYSA-N 428.366 5.336 30 20 IKED Cc1ccccc1Nc1ccccc1-c1noc(CCc2c(C)nn(CCC#N)c2C)n1 577314040 JMTHYPKBUQIVHF-UHFFFAOYSA-N 426.524 5.301 30 20 IKED N#Cc1cccc(-c2nnc(N3CCC[C@@H]3c3ccc(O)cc3)n2CCc2ccccc2)c1 589642416 NUOLSKQSHUELAJ-RUZDIDTESA-N 435.531 5.107 30 20 IKED Cc1c(C(=O)N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)sc2ccc(C#N)cc12 590060484 SRACVPOPVGLKHS-INIZCTEOSA-N 446.601 5.210 30 20 IKED C=CCOc1c(Br)cc(CNCc2nc(C(C)(C)C)cs2)cc1OCC 591726777 VJRGJMQXFUYUSE-UHFFFAOYSA-N 439.419 5.456 30 20 IKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 592973716 JIFYMSAPWNXKMH-NSHDSACASA-N 446.290 6.196 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3c(F)cccc3Cl)s2)c(C(F)(F)F)c1 603757540 PPJAAXXUURKPMO-UHFFFAOYSA-N 439.821 5.669 30 20 IKED CCc1cc(C#N)c(NC(=O)CC[C@H](C)CC(=O)Nc2sc(CC)cc2C#N)s1 604029289 MKTBLYWIKPOIBV-ZDUSSCGKSA-N 428.583 5.061 30 20 IKED Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 604085372 AFYAHYZBRPPKDH-SANMLTNESA-N 425.532 6.009 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(Oc4ccccc4)nc3)cn2)c1 604540582 CNXOBDGATRZBDK-UHFFFAOYSA-N 437.459 5.255 30 20 IKED CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 605191180 OQJXYSVZPRAQRS-VWLOTQADSA-N 449.620 5.183 30 20 IKED C=CCN(C(=O)c1nc(C)ncc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 607766187 OWECSJNJVAZQIT-UHFFFAOYSA-N 446.963 6.062 30 20 IKED N#Cc1ccc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)cc1 609371584 CXGMRANTTAQRCB-UHFFFAOYSA-N 441.747 5.001 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)Cc1csc2nc(-c3ccccc3)cn12 609377816 NQQPQEQUKKVSKF-MRXNPFEDSA-N 432.574 5.496 30 20 IKED COc1ccccc1[C@H](CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)N(C)C 609729775 STPFTTZZFIEPFT-QFIPXVFZSA-N 449.938 5.045 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1 609754448 XXYHJWBHIGZBJJ-UHFFFAOYSA-N 438.578 5.159 30 20 IKED C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 609986302 IIYDZOULWUGMKK-SJCJKPOMSA-N 425.248 5.028 30 20 IKED COc1cc(OC)cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 613347031 VLRNMMMBITYDBM-MRXNPFEDSA-N 433.316 5.624 30 20 IKED O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618556475 ZPAZAGGSFZRBFG-XYJFISCASA-N 448.382 5.687 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)NCCCc2cccc(C(F)(F)F)c2)c1C(F)F 676162311 APBLWYFPKRPXCT-UHFFFAOYSA-N 443.338 5.241 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)C1=Cc2ccccc2CC1 728016423 NMDSDGLAWIZTOD-UHFFFAOYSA-N 430.529 5.175 30 20 IKED C=CCOc1ccc(/C=C/C(=O)N(Cc2ccccn2)Cc2ccccc2C)cc1OC 729250690 HMWSOJSNWMJLCP-FYWRMAATSA-N 428.532 5.206 30 20 IKED Cc1ccc2nc(-c3ccc(N=C4SCCCN4C(=O)c4cocn4)cc3)sc2c1 729648162 MPWLCOJHXIARSK-UHFFFAOYSA-N 434.546 5.527 30 20 IKED N#CCOc1ccc(CNCc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 729685270 BZLBFQSSGCOCBE-UHFFFAOYSA-N 427.331 5.765 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C/c1cccc(OCC#N)c1 730150187 PLGSASUPMXKPDI-BJMVGYQFSA-N 439.334 5.680 30 20 IKED N#CCOc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(OC(F)F)cc2)c1 730151999 WUSPAFXQDCTWMB-MDWZMJQESA-N 445.425 5.060 30 20 IKED N#CCOc1ccc(CNC(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)cc1 730218679 PFEFJSLQCAGRBQ-QFIPXVFZSA-N 440.927 5.531 30 20 IKED Cc1ccc(F)cc1NC(=O)[C@H](C)OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 730375058 CDFUXNOAAHSQTG-HNNXBMFYSA-N 436.414 5.121 30 20 IKED COc1ccc2cc(-c3cc(C(=O)Nc4ccc(C#N)cn4)c4ccccc4n3)ccc2c1 731988918 JUGQYAKQJKQZRB-UHFFFAOYSA-N 430.467 5.583 30 20 IKED CN(C)c1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc(Cl)n1 733096102 PWOOZZNNWMZEGL-GOSISDBHSA-N 425.319 5.362 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2cnc(-c3ccc(C)cc3C)s2)ccc1OC 733231915 KWVZGWKZQWYBKV-GOSISDBHSA-N 435.549 5.047 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)ccc1OC 733643215 IKNNQQQFCFDTTH-LEWJYISDSA-N 441.547 5.492 30 20 IKED Cc1cc(CSc2ccccc2C(=O)OCc2cc(Cl)ccc2OCC#N)on1 735337541 RETUCMZMLJDMQE-UHFFFAOYSA-N 428.897 5.188 30 20 IKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccsc2)c1 736142202 RSXTXWUFAGEEOU-UHFFFAOYSA-N 432.954 5.035 30 20 IKED O=C(O)COc1ccc(/C=C\C(=O)c2cc3cc(Cl)ccc3o2)cc1Br 742431609 LEWLBWWUBYNKQG-RJRFIUFISA-N 435.657 5.208 30 20 IKED Cc1c(C(=O)/C=C\c2ccc(-n3cncn3)c(F)c2)cnn1-c1ccc(Cl)cc1Cl 743055393 CUBZLIQBUVXKDV-CLTKARDFSA-N 442.281 5.103 30 20 IKED COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)Nc2cccc(OCC#N)c2)c1 743102937 MCMXNDSTDOOKOR-VWLOTQADSA-N 429.520 5.320 30 20 IKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C=NNc2cccc(F)c2F)c1 743443471 GSGFIOGTMOSPQB-UHFFFAOYSA-N 434.446 5.281 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1C(F)(F)F 744061167 HUDUVNXHZDRVHI-GUYCJALGSA-N 425.435 5.681 30 20 IKED COc1cccc(OCc2nnc(S)n2N=Cc2c3ccccc3cc3ccccc23)c1 744788476 NPBLLPVTYATPKP-UHFFFAOYSA-N 440.528 5.343 30 20 IKED C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 744854841 OXDNZQFMGZCAPO-SFHVURJKSA-N 447.485 5.123 30 20 IKED N#CCCCS(=O)(=O)c1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2Cl)cc1 748168861 YQWVADKDEGPMSF-UHFFFAOYSA-N 439.920 5.304 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1csc(-c2ccccn2)n1 749117353 DNSZTYWWAOFSAJ-UHFFFAOYSA-N 428.492 5.371 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)COc1ccc(C2SCCCS2)cc1 749360964 MKDJPGZTOHSWJZ-UHFFFAOYSA-N 449.601 5.070 30 20 IKED Cc1ccc(-c2nnc([C@@H](C)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)o2)cc1C 758472355 GYZVUMISFDISNH-GOSISDBHSA-N 442.494 6.116 30 20 IKED C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1)c1cccc(C(=O)c2ccccc2)c1 762027657 YVHIKQQSPASGFS-ZHRRBRCNSA-N 430.891 5.022 30 20 IKED COC(=O)Nc1cc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc(C(F)(F)F)c1 763366622 AYTZODUXTIHLKF-CQSZACIVSA-N 446.212 5.185 30 20 IKED C=CCn1c(-c2ccccc2C)nn(CN2CCC[C@H](c3nc4ccccc4o3)C2)c1=S 764885807 OIQNGUKDTUDGKR-IBGZPJMESA-N 445.592 5.554 30 20 IKED CC(C)n1ncc2cc(S(=O)(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)ccc21 768499270 YEAHODPQPBDKHO-QHCPKHFHSA-N 430.533 5.073 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CCCC[C@H]2c2ccc(F)cc2F)c1=S 769846230 MFIWBOGTSXUBCF-FQEVSTJZSA-N 427.524 5.125 30 20 IKED CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)c1ccccc1-c1ccccc1C#N)C2 773738860 RBQCWDQUBDVYPD-UHFFFAOYSA-N 445.563 5.088 30 20 IKED COc1cc([C@@H](C)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)ccc1SC(F)F 777112671 GACNQBXATVWLLA-CQSZACIVSA-N 433.524 5.016 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(-c4ccccc4)cc3)n2)cc1 780328619 QVBBMVGSMMUYJG-QHCPKHFHSA-N 435.508 5.604 30 20 IKED CC(C)(C)N1C/C(=C\c2scnc2C2CC2)C(=O)/C(=C/c2scnc2C2CC2)C1 782325379 BONOWHKJFURNDN-GONBZBRSSA-N 425.623 5.505 30 20 IKED C/C(=C/C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1C(F)(F)F 787352190 BJTNVGVHKZBJSS-PEZBUJJGSA-N 441.453 5.330 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)N(Cc2ccccc2)c2ccccc2C#N)nc1 791510639 PLYCCCUHAUPNFX-UHFFFAOYSA-N 442.519 5.076 30 20 IKED N#C[C@@H](C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1nccc2ccccc12 792093037 GXQLHXMLAXZYGQ-YLJYHZDGSA-N 438.314 5.023 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)s1 797573673 UWTIXHAHPHHPCC-UXHICEINSA-N 430.529 5.385 30 20 IKED COc1cc2c(cc1F)C/C(=C\c1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)C2=O 798371157 IQKAARIHZJPRAQ-RIYZIHGNSA-N 442.899 5.451 30 20 IKED Cc1ccc(-n2nc(C)c(CC(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)c2C)cc1Cl 813213911 QUWRQEZULYGLOC-SFHVURJKSA-N 446.860 5.284 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccs2)cc1 837839215 ROTNAMKPMPSBAV-FQEVSTJZSA-N 435.574 5.217 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1 915086727 MZKPLEWFNKFOJB-MHZLTWQESA-N 445.522 5.378 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1 915179891 JPOCILPFSYQTDC-XMMPIXPASA-N 448.551 5.899 30 20 IKED C[C@H](OC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1nnc(-c2cccs2)o1 915511781 FYSBCIYMCFDPAT-HNNXBMFYSA-N 431.473 5.167 30 20 IKED CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 916469152 JDFQIWOTDFETLB-RBBKRZOGSA-N 435.959 5.428 30 20 IKED CC(C)(C)n1nc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1C1CC1 916905896 OCHGUQMFQYCMMN-IBGZPJMESA-N 442.519 5.269 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)s2)cc1 916913202 VFDNSWVALPRBCL-MRXNPFEDSA-N 439.924 5.132 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 916926987 BPHPMVUWMWYPRL-LBPRGKRZSA-N 434.260 5.077 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cc2c(s1)-c1ccccc1OC2 916936960 YSNUVLWHKZHRSK-CQSZACIVSA-N 426.856 5.061 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccccc2OC(F)F)cs1 917562225 WMXSGLYYSWSLMC-FMIVXFBMSA-N 428.460 5.634 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(N4CCOC4=O)c3)cc2Cl)cc1 917875732 ARVBIVVHWSCFLJ-UHFFFAOYSA-N 433.851 5.213 30 20 IKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(F)cc1 918276271 CRFHDWVSVMMKJD-ZEQRLZLVSA-N 443.522 5.323 30 20 IKED Sc1nnc(-c2cccc(Br)c2)n1N=Cc1c[nH]c2cc(Cl)ccc12 918711642 URDKADHQDIJWRJ-UHFFFAOYSA-N 432.734 5.013 30 20 IKED Cc1ccc(C(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)cc1NC(=O)c1ccccc1F 920876310 HPQLEQACYGMLLU-GOSISDBHSA-N 434.442 5.065 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@@H](CCc1ccccc1)c1ccccc1 920878201 VGCGFLLESQCTKB-VWLOTQADSA-N 438.531 5.068 30 20 IKED CSc1nc(O)c(C(=O)N(Cc2ccc(-c3ccccc3F)s2)C(C)C)cc1C#N 1351449322 NGJXQPASVBWPMC-UHFFFAOYSA-N 441.553 5.299 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@H]4c4ccc(F)c(F)c4)CCC3)cc2)C1 1785805088 ZJBLIUSKXXVXKM-LEWJYISDSA-N 436.502 5.169 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3c(F)ccnc3Cl)cc2)CCC1 1786991329 USIPYHHTIAUXBI-SFHVURJKSA-N 441.934 5.390 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)C4(C(F)(F)F)CCC4)CCC3)cc2)cc1 1790288646 WYUYBDNXWQRYOU-UHFFFAOYSA-N 441.453 5.039 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)C(C)C)C2 1798332183 ITUOYSGGLUEVHP-HTUFRPJOSA-N 443.031 5.486 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3c(F)cccc3Cl)CC2)C1 1804865120 CJSDWZAXACUDOX-UHFFFAOYSA-N 434.983 5.316 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccccc3o2)CC1 1823752094 LFZVZHMZHHGWFS-QFIPXVFZSA-N 436.596 5.659 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)CCc1cc(Cl)ccc1Cl)C2 1844357404 HPTJAMVLYPHWFU-UHFFFAOYSA-N 437.411 5.122 30 20 IKED COc1ccc(OCc2nnc(SCCCC#N)n2-c2cccc(C(F)(F)F)c2)cc1 8752063 GLGSPSBJGIFNDP-UHFFFAOYSA-N 448.470 5.270 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2cccc(OC)c2)cc1 11260212 BPGYQTMOJMGAOA-UHFFFAOYSA-O 433.597 5.521 30 20 IKED N#Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccco2)cc1 11979272 ZNWYDXRSYGPIEC-UHFFFAOYSA-N 441.343 6.057 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3cccs3)o2)nc2sc(C)c(C)c2c1=O 17652950 FHSUAIJEBDAASI-GFCCVEGCSA-N 430.580 5.226 30 20 IKED COc1cc(/C=C(\Br)c2ncc(-c3ccc(F)cc3)o2)ccc1OCC#N 18065251 BQADREWRDSKNPI-YBEGLDIGSA-N 429.245 5.285 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C(=O)N1CCCc2ccccc21)C(C)C 32785448 HFANWCKRBMUELU-XMMPIXPASA-N 446.620 5.151 30 20 IKED COc1c(C)cnc(CN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1C 58632727 UWRQOWNZHFFWMU-UHFFFAOYSA-N 444.535 5.016 30 20 IKED Cc1ccccc1-n1ncc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c1C(F)(F)F 60139769 UYHYPVLFJDRTJS-UHFFFAOYSA-N 431.311 5.610 30 20 IKED C=CCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1OC 64714807 QFQZILGMVKBAHO-CQSZACIVSA-N 426.444 5.152 30 20 IKED Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 72096696 JRSNBAOUUYXCAO-QFIPXVFZSA-N 443.528 5.214 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)c1=S 97205144 UXLHMOXIKRVVDK-UHFFFAOYSA-N 445.514 5.303 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 107806491 TUNCHSDDWUFTIF-GOSISDBHSA-N 429.520 5.758 30 20 IKED N#C[C@H](C(=O)c1ccc(-n2cnc3ccccc32)cc1)c1nc2ccccc2n1C(F)F 195557440 QCRNCQOLJQRHKM-QGZVFWFLSA-N 427.414 5.260 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)nc2ccccc21 195727818 QLQSESPHMCWVKH-LBPRGKRZSA-N 427.316 5.494 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CNc1ccccc1C(=O)Nc1ccc(Cl)cc1 247537172 ALFXSBWPQXPGRK-UHFFFAOYSA-N 439.302 5.168 30 20 IKED CS(=O)(=O)c1cccc([C@H](Nc2c(F)cc(C#N)cc2F)c2ccc(Cl)cc2)c1 301463320 KCWLHXALDDRLRD-HXUWFJFHSA-N 432.879 5.095 30 20 IKED O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1cc2ccc(OC(F)(F)F)cc2[nH]1 303675144 XTZLKLCFGZPBHO-UHFFFAOYSA-N 436.283 5.399 30 20 IKED O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 303696829 QULIITXMCRXXDW-UHFFFAOYSA-N 430.654 5.588 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccccc1-c1ccc(-c2ccccc2)cc1 410049274 YAEBQQYTFFQRCY-UHFFFAOYSA-N 448.570 6.319 30 20 IKED C=CCCc1ccccc1NC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1 410363368 FRPCWBWHIBHYCI-UGKGYDQZSA-N 430.470 5.372 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2ccc(C#N)cc2Cl)ccc1OCc1ccncc1 426159391 HHXDUYNETOPWRL-OAHLLOKOSA-N 436.899 5.077 30 20 IKED COc1cccc(/C=C(/CC(=O)N(CCC#N)CC2CC2)c2nc3ccccc3s2)c1 426472939 DFEOSKAPLBEDOV-ZHZULCJRSA-N 431.561 5.388 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1cccc(C(F)(F)F)c1F 430031494 LRQDHKBKEXCOQI-UHFFFAOYSA-N 427.291 5.514 30 20 IKED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 433662459 DYLFZKWYELUIMO-UHFFFAOYSA-N 429.307 5.796 30 20 IKED C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 434208674 UCFLOVZDFAJXLN-SIBVEZHUSA-N 441.531 5.188 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2nccn2CCc2ccccc2)cc1 435127162 ALIIPSBFJAEEHY-UHFFFAOYSA-N 437.503 5.111 30 20 IKED Cc1csc(C2(NC(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CCCC2)n1 438661145 QBIUELDKRCDDRW-UHFFFAOYSA-N 436.512 5.846 30 20 IKED COCCSCC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccc(C)o1)CC2(C)C 439695700 NTQLKZGNHKHIJQ-VURMDHGXSA-N 442.606 5.617 30 20 IKED C=CCN(CC1CCCCC1)C(=O)Nc1ccc(Cl)cc1-c1nc(CCOC)no1 440290000 KIHBDPCGTSBZEU-UHFFFAOYSA-N 432.952 5.179 30 20 IKED CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 441230751 LUGQMWLFKJGFGZ-CTNGQTDRSA-N 437.609 5.198 30 20 IKED C[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1nc2ccccc2n1C(F)F 442078659 KEUBTKVTGGWQAH-SNVBAGLBSA-N 439.344 5.084 30 20 IKED Cc1nc(-c2cccc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2)cs1 442811378 OTBDKKATMVWBCW-OAHLLOKOSA-N 437.496 6.010 30 20 IKED CSc1nnc(-c2noc(-c3cccc(Oc4cccc(Cl)c4C#N)c3)n2)s1 445611645 CFXUTQYRIIJXQI-UHFFFAOYSA-N 427.898 5.294 30 20 IKED C[C@]1(c2ccccc2)CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 446828075 YANLDILGYFNOHP-MHZLTWQESA-N 425.532 5.527 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(CN(CCC(F)(F)F)CC(F)(F)F)cs1 447846643 BPNYSHCOZWIHTD-UHFFFAOYSA-N 443.388 5.284 30 20 IKED Cc1ccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)cc1Oc1ncccc1Br 462316590 OZCNKZQLHSYAQD-HNNXBMFYSA-N 436.309 5.559 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)C3(c4cccc(C#N)c4)CC3)C2)n1 470430538 ULEVAMQQBXGCLX-LJQANCHMSA-N 443.572 5.128 30 20 IKED CCc1ccc(C2=CCN(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)CC2)cc1 470539320 WJZBDAKHGDHRBJ-UHFFFAOYSA-N 442.563 5.153 30 20 IKED CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 470547291 CRQRELBKGOKANC-HSZRJFAPSA-N 446.551 5.037 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1 472871793 PJOOCRBLAFOYEW-TZIWHRDSSA-N 431.471 5.057 30 20 IKED CC(C)(C)c1nsc(Oc2ccc(NC(=O)c3c(F)cc(C#N)cc3F)cc2Cl)n1 474412848 QUSSNHTVLDOQNL-UHFFFAOYSA-N 448.882 5.683 30 20 IKED Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 474759006 RADNHJHNYAMGMD-OAQYLSRUSA-N 431.458 5.113 30 20 IKED C[C@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1ccc(NC(=O)Nc2ccccc2)cc1 474915760 YXYOPXGTLUZXCA-SIKLNZKXSA-N 426.520 5.595 30 20 IKED COc1ccc2oc([C@@H](C)NC(=O)NC3CCC(Oc4ccccc4C#N)CC3)c(C)c2c1 477482574 LOPRNKPFJCRIGZ-QHGAOEGBSA-N 447.535 5.372 30 20 IKED Cc1cccc(CC2(O)CCN(C(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)CC2)c1 477670119 FGWRGVAXFWFFIF-UHFFFAOYSA-N 440.543 5.177 30 20 IKED O=C(N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)N1CCC[C@@H](C(F)(F)F)C1 482329144 GGOTYLKMYPSJTJ-PWSUYJOCSA-N 438.290 5.173 30 20 IKED Cc1c([C@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)C(C)C)oc2ccccc12 483307100 GCWITVKDWBZSEI-KSFYIVLOSA-N 449.576 5.445 30 20 IKED COc1cccc(Cl)c1-c1noc(C)c1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 483992929 IDUAQVCXYWVILN-HNNXBMFYSA-N 449.816 5.326 30 20 IKED CCOC(=O)c1csc([C@H]2CCCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)n1 484146619 QKTYYUGMIFXSKU-RHSMWYFYSA-N 444.582 5.083 30 20 IKED Cc1ccc(C(=O)N[C@@H](CCCC#N)c2ccccc2)cc1NC(=O)c1ccccc1F 487151404 CRXPTFARWFDQQC-QHCPKHFHSA-N 429.495 5.551 30 20 IKED COCCOc1ccc(Br)cc1NC(=O)c1sc2ccc(C#N)cc2c1C 498278516 XGPPMTSFCACOCD-UHFFFAOYSA-N 445.338 5.121 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)cc1 499423681 SQCWXBITRRNGBF-HSZRJFAPSA-N 445.950 5.121 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)o1 500232219 OGPCECSPRJPRCB-UHFFFAOYSA-N 448.372 5.453 30 20 IKED Cc1csc(Sc2ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c(C)c2)n1 503004366 OGFOGYNQVLRANR-OAQYLSRUSA-N 431.583 5.111 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](c1cncc(Br)c1)C1CC1 505374184 ZWPDFKZWXCVTSG-QGZVFWFLSA-N 440.794 5.408 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)CC2)c(F)c1 506126200 QTOJMMMUFRBSRF-UHFFFAOYSA-N 440.478 5.361 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)s2)cc1 507055874 VTZCHJIJEWLIOL-QGZVFWFLSA-N 446.576 5.434 30 20 IKED COc1cccc(CN(Cc2ccc(-c3ccccc3C#N)cc2)C2CCC(O)CC2)c1 507995409 QRKPMHXETKQXRC-UHFFFAOYSA-N 426.560 5.540 30 20 IKED C/C=C/c1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 510574959 RBAJGJBZLJGINH-KSBKHAFUSA-N 429.907 5.606 30 20 IKED CCC1(C(=O)Nc2ccccc2SC[C@H](C)C#N)CCN(C(=O)c2ccccc2)CC1 511030421 RIYXHOMAJHKNKU-LJQANCHMSA-N 435.593 5.209 30 20 IKED CC(C)Oc1ccc([C@@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 511315928 QEFPBOUZPUDKAJ-HXUWFJFHSA-N 443.547 6.002 30 20 IKED Cc1c([C@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)oc2ccccc12 511339306 VHNNDQOQIIKZSA-IBGZPJMESA-N 439.515 6.269 30 20 IKED N#Cc1c(NC(=O)CCN[C@@H](c2c[nH]c3ccccc23)C(F)(F)F)sc2c1CCCC2 513174022 NNTPWOPQVPKXBS-FQEVSTJZSA-N 446.498 5.202 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4nc5ccccc5s4)cc3)o2)c1 513655710 UMIOYKURRHGQQX-IBGZPJMESA-N 436.496 5.812 30 20 IKED CC(C)[C@H](NC(=O)c1ccccc1)c1noc(/C=C/c2cn(CCC#N)c3ccccc23)n1 516996355 OLIFUTXTCRHAOW-XXFRDUSWSA-N 439.519 5.235 30 20 IKED CN(Cc1csc(Br)c1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 517128725 BBKACPAJVVHRGM-UHFFFAOYSA-N 442.338 5.838 30 20 IKED N#CCCCOc1cccnc1NC(=O)Cc1cccc(OCc2ccccc2Cl)c1 517988768 VSTVHUJNEQQKHK-UHFFFAOYSA-N 435.911 5.178 30 20 IKED COc1ccc(OC2CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CC2)cc1 518028375 TXEUGTFKLICHDD-UHFFFAOYSA-N 446.478 5.182 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCCCCN1CCC(Cc2ccccc2)CC1 518333708 WVSKPXWHDHFWFD-UHFFFAOYSA-N 446.639 5.213 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(C(F)(F)F)cn1 518407789 JQDZRRHWCKIKTA-CYBMUJFWSA-N 425.501 5.367 30 20 IKED COc1cc(Cl)ccc1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 518624605 NEKUJBOHIAJPLW-UHFFFAOYSA-N 437.902 5.271 30 20 IKED C[C@H]1CCCCN1Cc1ccccc1CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 521091362 LUDQUGPLBCWEKP-FQEVSTJZSA-N 440.547 5.050 30 20 IKED N#Cc1c(NC(=O)CCN2CCC[C@@H]2c2cccc(Br)c2)sc2c1CCC2 522007926 JEQWGPZHLDOWTD-GOSISDBHSA-N 444.398 5.037 30 20 IKED Cc1cc(F)ccc1-c1ccc(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)cc1F 523536191 JMPCKENQOJXGHA-UHFFFAOYSA-N 442.469 5.867 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCSCc3ccccn3)cc2Cl)c1 524422533 SPWGRAKXFNQECY-UHFFFAOYSA-N 437.952 5.448 30 20 IKED C=CCN(C(=O)CSc1cnccn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 530828802 DPRUQRWTJPBDHO-UHFFFAOYSA-N 437.377 5.218 30 20 IKED C[C@H](C#N)CN(C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C1CC1 533600745 BJTORDPSSNEETB-UWCCDQBKSA-N 446.532 5.286 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@H](OC2CCOCC2)c2ccccc2)cc1 534643091 DZUBGJWIXUWEIU-RUZDIDTESA-N 428.488 5.226 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CNC(C)(c1ccccc1)c1ccccc1 537104245 OHDJRSUPHOOBRE-HXUWFJFHSA-N 429.589 5.430 30 20 IKED COCCCCC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 541228323 ZZNKNQOSSUYSTP-CYBMUJFWSA-N 425.291 5.261 30 20 IKED C=CCN(C(=O)c1ccc2nnn(C)c2c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 542515385 WRKVRHSSWSKOAW-UHFFFAOYSA-N 444.347 5.231 30 20 IKED COc1c(Br)cc(Cl)cc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 543304079 VUJMXQIVNSJAGE-UHFFFAOYSA-N 434.721 5.179 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@@H]3CCO[C@@H](c4ccc(F)cc4)C3)cc2)cc1 544456399 JNKCTDUUOIWZRT-RCZVLFRGSA-N 430.479 5.334 30 20 IKED CCC(CC)(C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(OC)c(OC)c1 545364615 LWMPXKGNZBVGEL-QGZVFWFLSA-N 426.582 5.652 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 551694015 DKUUORBRBORYFS-UHFFFAOYSA-N 449.482 5.181 30 20 IKED N#Cc1ccc(Cl)c(C(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)c1 552297982 NTFRUIBQBPCBCF-UHFFFAOYSA-N 429.829 5.468 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H]2c2ccc(Br)cc2)c1C 555416987 MVGWBYKNRZMNQP-QFIPXVFZSA-N 440.385 5.150 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@@H]2CCCc3sc(Cl)cc32)nnc1-c1ccco1 557818913 RXYIWCRNEGQVLD-CQSZACIVSA-N 449.001 5.115 30 20 IKED C=C(C)[C@H]1OCC[C@H]1c1nc(Cc2cc(Cl)c(OCC(F)(F)F)c(OCC)c2)no1 558319223 HUOGXCNOFUCPHR-CXAGYDPISA-N 446.853 5.102 30 20 IKED Cc1cccc(NC2CCN(c3nnc(-c4cccc(C#N)c4)n3Cc3ccccc3)CC2)c1 558928697 MIENMZWKYDNXBH-UHFFFAOYSA-N 448.574 5.254 30 20 IKED Cc1nc(C(C)C)sc1[C@@H](C)N(C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N 559378034 IWLMJMWNEQOGSU-DOTOQJQBSA-N 430.643 5.458 30 20 IKED CC(C)(C)c1csc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1 560725807 AXDPEBXQOBDXGX-GOSISDBHSA-N 438.984 6.071 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 565806896 XYPGBPDAGADZAB-HSZRJFAPSA-N 444.501 5.204 30 20 IKED N#Cc1ccc(C[C@@H](C#N)c2nc(-c3ccc(NC(=O)Nc4ccccc4)cc3)no2)cc1 572522250 DFUQZCNFZMBYDP-FQEVSTJZSA-N 434.459 5.102 30 20 IKED CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1 576005561 YSQPNHXLCSSCQB-UHFFFAOYSA-N 432.915 5.015 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(CN(C(=O)c2ccccc2)C2CC2)no1 577422769 OJAUIYMCWDGLRL-UHFFFAOYSA-N 443.425 5.125 30 20 IKED Cc1sc(C2(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)CCC2)nc1-c1ccccc1F 577893277 HOHODMDCQMTJGJ-HNNXBMFYSA-N 435.524 5.092 30 20 IKED N#Cc1cccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2Cc2ccccc2)c1 578494768 NULTZIMOBIANRW-UHFFFAOYSA-N 425.458 5.034 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 603527233 GGDLNLPZGZVJLU-UHFFFAOYSA-N 439.968 5.227 30 20 IKED CC[C@H](C)n1c(SCC(=O)N(CCC#N)c2cccc(C)c2C)nnc1-c1ccccc1 604548126 ZQWZKMHBIARQMT-IBGZPJMESA-N 447.608 5.572 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc2c(cnn2C(C)C)c1 605042778 KTFSWNKBNDKQSU-UHFFFAOYSA-N 445.336 5.739 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](COC)c1cccc(C(F)(F)F)c1 605353752 UMQGUQPMDWFKTP-MRXNPFEDSA-N 432.895 5.506 30 20 IKED C=CCCCN(C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)c(OC)c1)CC2 605645335 BFXDKLMJMRUAHD-LVZFUZTISA-N 442.559 5.777 30 20 IKED COc1cc([C@@H](C#N)NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)cc(OC)c1OC 609006305 HQFNFSREQHICMQ-MRXNPFEDSA-N 442.924 5.089 30 20 IKED Cc1cc(C)c(NC(=O)[C@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(C)c1 609387322 XJRJAMAXDLJDTJ-INIZCTEOSA-N 435.515 6.076 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2)c1 609426863 NPQSUWLAEYCGCZ-UHFFFAOYSA-N 442.475 5.114 30 20 IKED COc1ccc(C2(NC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)cc1 609469378 FRWKTEFXIYLLJH-UHFFFAOYSA-N 427.504 5.265 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC([C@H]2CCOC2)CC1 669815370 KBURSIJBZNXQJI-XXBNENTESA-N 432.568 5.010 30 20 IKED O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674430654 KPIMXHXBCNLJML-BETUJISGSA-N 448.329 5.119 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)c(-c3ccc(F)cc3)s2)cc1Cl 726733292 VCJUGIRFHBODIP-MRXNPFEDSA-N 442.899 5.486 30 20 IKED Cc1ccccc1-c1nc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cs1 727628508 TVUFBLHFDLLKSP-INIZCTEOSA-N 443.500 5.394 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\Oc3c(cccc3C(C)(C)C)C2=O)cs1 727974580 KQTXIRJISKHNDU-NDENLUEZSA-N 436.508 5.881 30 20 IKED Cc1cc(C(=O)Nc2cccc(COCCOC(C)C)c2)c(C)n1-c1ccc(C#N)cc1 728270735 NZAAMQJYAMKEOS-UHFFFAOYSA-N 431.536 5.160 30 20 IKED CCN(C(C)=O)c1nc(/C=C2\CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)cs1 728438639 JJCCJBBGYSIKAI-GXDHUFHOSA-N 443.981 5.505 30 20 IKED N#CCCn1cc(C(=O)COC(=O)C[C@@H](c2ccccc2)C(F)(F)F)c2ccccc21 728651459 CFABRBJZMVGILQ-IBGZPJMESA-N 428.410 5.017 30 20 IKED N#CCOc1ccc(CNCc2c(Cl)cccc2OCc2ccccc2Cl)cc1 729685563 YGHHSMHVZVFGJQ-UHFFFAOYSA-N 427.331 5.765 30 20 IKED Cn1c([C@@H](C#N)C(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)nc2ccccc21 730686467 PLSIVAQIIAHSIW-SBUREZEXSA-N 433.870 5.362 30 20 IKED N#C[C@H](C(=O)[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1)c1nc2ccccc2o1 730690441 TYPGITPMFSPLFM-ZHRRBRCNSA-N 437.282 6.131 30 20 IKED CC(C)c1ccc2cc(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)[nH]c2c1 731071508 QXGGUWVZOVWLLQ-MRXNPFEDSA-N 435.549 5.339 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 731108099 GZKPVKKRGUEXOC-XMMPIXPASA-N 434.536 5.265 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)cc1 731192812 OXUKUSRQNQYQKT-UHFFFAOYSA-N 425.488 5.762 30 20 IKED COc1ccc([C@@H]2NC(=O)N(Cc3cccs3)C(c3ccc(F)cc3)=C2C(C)=O)cc1 732038537 NYFNEUGDAIGPLX-QFIPXVFZSA-N 436.508 5.163 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CCOc3c(Cl)cccc3C2=O)cs1 733748971 OZQJJLMALSXDQG-KAMYIIQDSA-N 442.899 5.669 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H](Sc2ccccc2F)c2ccccc2)c1 733771142 NNHSLABSOOMWEF-RDPSFJRHSA-N 434.536 5.656 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)c1 733771994 VGKCXASPWVSZCS-NPAAKHOSSA-N 440.543 5.366 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)c1 733772059 YGGOHTOJOZYEAC-LJQANCHMSA-N 425.941 5.003 30 20 IKED N#Cc1ccccc1NC(=S)Nc1ccc(OCc2ccccc2)c(Br)c1 737463876 MNYZZSVNGYVFAJ-UHFFFAOYSA-N 438.350 5.709 30 20 IKED Cc1cc(/C=C/C(=O)c2ccc(S(=O)(=O)CC(F)(F)F)cc2)c(OC(F)F)cc1C 742434610 LPGUAZRSPRXQHK-VMPITWQZSA-N 448.409 5.137 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)c1 743221059 TWTZQSKJHGUHAB-IBGZPJMESA-N 436.899 5.530 30 20 IKED CC(C)(C)c1ncc(/C=C/C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1 744037861 GQYKDJUKRFPMPV-URWSZGRFSA-N 435.496 5.959 30 20 IKED Cc1ccccc1-c1noc([C@@H](C)OC(=O)c2ccc(COc3ccccc3C#N)o2)n1 746068694 LGQRUHXAVFVPDR-MRXNPFEDSA-N 429.432 5.007 30 20 IKED Cc1ccc(Nc2nn(CN(CCC#N)Cc3cccnc3)c(=S)s2)cc1Cl 747969482 HQDXURSWQYIMBE-UHFFFAOYSA-N 430.990 5.148 30 20 IKED Cc1ccc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)cc1NC(=O)OC(C)(C)C 752375622 DJAIATLVSKSHFI-UHFFFAOYSA-N 434.521 5.590 30 20 IKED FC(F)(F)c1ccc(C#CCSc2nnc(-c3cccnc3)n2Cc2ccco2)cc1 754270234 GRRJREMFFXTLGL-UHFFFAOYSA-N 440.450 5.144 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)Nc3ccc(OCc4ccccc4Cl)cc3)CCO2)c1 761839862 MULOXGGFLQQDHY-XMMPIXPASA-N 447.922 5.396 30 20 IKED C[C@@H]1CCC[C@H](OCCCCCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)C1 766622924 KNWPMEQIUSDRIL-NJAFHUGGSA-N 439.383 5.796 30 20 IKED Clc1ccc(CSc2nncn2N=Cc2cnn(Cc3ccccc3Cl)c2)cc1 767199744 ZAZBGMHSLSDAMR-UHFFFAOYSA-N 443.363 5.004 30 20 IKED C[C@@H](OC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccc(C#N)cc1 769698671 MWWJRUYFERQQGI-MRXNPFEDSA-N 436.537 5.311 30 20 IKED CN(C)C(=O)Nc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(Cl)c1 772059056 TZWQYABMHVSFNS-OAQYLSRUSA-N 432.911 5.341 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc(Cl)c(Cl)c2Cl)ccc1OC 772986645 PTSJWOJBPYCXAT-TZMCWYRMSA-N 427.759 6.187 30 20 IKED N#CCSc1ccccc1NC(=O)COC(=O)C1(c2c(Cl)cccc2Cl)CCC1 773678952 VGTKXOYYZCDRGH-UHFFFAOYSA-N 449.359 5.213 30 20 IKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cnc(Cc2ccccc2F)s1 773974470 CJMUJALRMQLKKG-OAHLLOKOSA-N 448.306 5.141 30 20 IKED CC(C)(C)OC(=O)N[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)c1ccccc1 777296358 KGBSQZRGYAZLHQ-RTBURBONSA-N 448.548 5.037 30 20 IKED CC(C)(C)OC(=O)N[C@H](CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1ccccc1 777311343 IVEOTQBKARRKTO-DLBZAZTESA-N 439.512 5.268 30 20 IKED CCOc1ccc(C=NOCc2cc(-c3c(OC)ccc4ccccc34)no2)cc1OC 778019887 OZSHFMXSNUFBOF-UHFFFAOYSA-N 432.476 5.461 30 20 IKED C=CCn1c(COc2ccccc2)nn(CN(CC)Cc2c[nH]c3ccccc23)c1=S 785513890 UNVHELBNHPAPOD-UHFFFAOYSA-N 433.581 5.140 30 20 IKED CCCCC[C@H](C)n1c(SCCCC2(C#N)CCOCC2)nc2ccccc2c1=O 798366156 LPLBMNBIKLCYEH-IBGZPJMESA-N 427.614 5.730 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(C=NNc2ccc(C#N)cc2C(F)(F)F)cs1 799491328 AIWQZCXHUUXMBU-UHFFFAOYSA-N 447.417 5.303 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1CC(c2ccc(OC)c(F)c2)=NO1 801754731 JYLMAVOOMLSNOY-GOSISDBHSA-N 425.504 5.001 30 20 IKED N#CCSCCCOC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 805483604 WEHMBDKLEVMCAU-HHUWHTLVSA-N 443.453 5.299 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@@H]3CC4(CCC4)Oc4ccccc43)cc2)ccn1 810280776 NNFWRIPACKQOGJ-JOCHJYFZSA-N 426.476 5.314 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)C2(Cc3cccs3)CCCCC2)ccc1OC 810401276 YLLKHEBBIDCXCK-IBGZPJMESA-N 426.582 5.247 30 20 IKED C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915180247 MQAIBIMYVUNKQT-HXOBKFHXSA-N 447.535 5.180 30 20 IKED CCCCCCCCc1nnc(NC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)s1 915311576 MYQYHYGNCBLGAJ-UHFFFAOYSA-N 444.601 5.274 30 20 IKED COc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC(F)F 915352424 IHHBYYHRIOHPTM-HXUWFJFHSA-N 437.446 5.274 30 20 IKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 915728876 DAPFJVLFEXAOBZ-JWQCQUIFSA-N 425.532 5.184 30 20 IKED N#CCOc1cccc(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)c1 916409443 CDNGXOAPMIJRSF-UHFFFAOYSA-N 431.442 5.587 30 20 IKED C[C@H](Oc1ccc(Cl)cc1Br)C(=O)[C@H](C#N)c1ccc2ccccc2n1 916848085 ANYSAALINJBWJT-SWLSCSKDSA-N 429.701 5.294 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(COc3ccc(F)cc3)o2)cc1 916914194 XBDCEEXIHCFDKQ-JOCHJYFZSA-N 434.467 5.301 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Oc2ccccc2)cc1 916927227 GNKUJXVHZCNEPO-SFHVURJKSA-N 425.271 5.747 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccccc2)n1)C(=O)Nc1cc(Cl)cc(Cl)c1 916945000 PTOXLLHNYIVXAX-KRWDZBQOSA-N 430.316 5.007 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3c(C)nn(-c4ccccc4)c3C)n2)cc1 916972589 OPDSXFDGDMVHJR-QFIPXVFZSA-N 426.545 5.340 30 20 IKED CCOc1ccc(OC(C)(C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916975938 GQMWZHPXIBFTEQ-LJQANCHMSA-N 440.952 5.896 30 20 IKED N#C[C@@H](C(=O)/C=C/c1ccc2c(c1)OCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996134 KTQFTYDJYHADOU-QCMRPNCFSA-N 443.311 5.735 30 20 IKED CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cc(C)sc2C)cc1 917612557 YMYBUZZBCDJRCC-UHFFFAOYSA-O 434.610 5.800 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)[C@H](C)Sc1ccc(Br)cc1 920105708 LCRWMKNLVNEYTI-GUYCJALGSA-N 441.350 5.311 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=S)Nc3ccc(OC(F)(F)F)cc3)cc2)cc1 920998393 OQCIVZQUUXPUHE-UHFFFAOYSA-N 429.423 6.058 30 20 IKED COc1cc(C=NNc2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OCC(F)(F)F 921254574 YQXDVYCZGZPGJV-UHFFFAOYSA-N 437.296 5.009 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4nccc-4c3Cl)cc2)CCC1 1788480351 SQZDQEKMIDRZOK-OAHLLOKOSA-N 436.943 5.128 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4nc(C)sc34)cc2)CCC1 1788944281 AVUTUKDSSFRJHU-INIZCTEOSA-N 433.577 5.565 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@@H](C)Sc3cccs3)cc2)CCC1 1789415557 AAXRKUZUXGLMRU-QGZVFWFLSA-N 426.607 5.166 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccc(F)c(F)c3)CCC2)cc1 1791587312 NOYOTHUBWZJGHF-UHFFFAOYSA-N 447.485 5.351 30 20 IKED CC(C)(C)CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C#N)c1Cl 1799305812 NOTKGCQWWKEDJV-ACDBMABISA-N 444.019 5.460 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OC(C)C)c(Cl)c1 1800309404 IKJOVOXWERZMCW-ACDBMABISA-N 447.019 5.371 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2oc3ccccc3c2C)[nH]n1 1814828626 ARWYLCFGWMEVLC-OAQYLSRUSA-N 446.551 5.539 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C(F)(F)F)c2C)n[nH]1 1823289305 BNDHPLAQNFNTAS-AUUYWEPGSA-N 448.489 5.255 30 20 IKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)s1 1825790695 MRPYTCJRLSYTJR-MBSDFSHPSA-N 449.620 5.231 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 1831373312 BTIVXUHTBZVGAQ-KKSFZXQISA-N 437.411 5.439 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(F)cccc2F)nnc1-c1ccc(Cl)cc1 16862771 VLKMAHNQZBXPAP-GFCCVEGCSA-N 434.899 5.182 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2ccc(Br)cc2)n1 21514852 FSABMDVTSJZDOA-SNVBAGLBSA-N 444.276 5.162 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)=C(/S)Nc1cc(C)ccc1C 22729629 MLKSSBKPAFTYKM-UHFFFAOYSA-O 448.612 5.352 30 20 IKED C=C(Br)CSc1nnc(CNc2cccc(OC)c2)n1C1CCCCC1 59928863 QNQCUSRCIMHYNV-UHFFFAOYSA-N 437.407 5.405 30 20 IKED CCc1ccc(N(C(C)=O)c2nc(CSc3nc4c(cc3C#N)CCCC4)cs2)cc1 96995017 VYSRPEMBNBFTEZ-UHFFFAOYSA-N 448.617 5.828 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1ccccc1Oc1cccnc1 109379627 DQIKPOOQPOJLAW-UHFFFAOYSA-N 448.523 5.662 30 20 IKED C[C@@H](Sc1ncc(-c2ccccc2)n1CC(F)(F)F)C(=O)Nc1ccccc1C#N 109622396 TXGOBVCFVZIOLV-CQSZACIVSA-N 430.455 5.103 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1 111019067 JLCRUKNFVLFLCG-UHFFFAOYSA-N 436.943 5.031 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(Cc3csc(-c4ccc(Cl)cc4)n3)CC2)c1 116401867 XDQAHJHJUYVRNQ-UHFFFAOYSA-N 436.968 5.186 30 20 IKED COc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1OCc1ccccc1 217003296 OGBNNZPIHQGXBR-GOSISDBHSA-N 432.545 5.778 30 20 IKED N#CCCn1cc(CNCc2ccccc2-c2ccc(Cl)cc2)c(-c2ccccc2)n1 237759158 RVRJOARXXRTWAJ-UHFFFAOYSA-N 426.951 6.074 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3cccnc3SCC3CCCCC3)CC2)c1 303592637 IDCSORTXWLRMQV-UHFFFAOYSA-N 435.593 5.309 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1cc(O)ccc1C(F)(F)F 426920188 CPNZHMHXXHTXKJ-UHFFFAOYSA-N 447.253 5.623 30 20 IKED CCCn1ccnc1CCCN(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 429764793 JAVXHYSUPUHWNQ-UHFFFAOYSA-N 435.503 5.193 30 20 IKED N#Cc1cccc(OC2CCN([C@H](c3ccccc3)c3nc(-c4ccccc4)no3)CC2)c1 429992736 PEBGQTAFDYFYFE-RUZDIDTESA-N 436.515 5.241 30 20 IKED Cc1c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)sc2ccc(C#N)cc12 431354813 ZZKSGBABZCHTAP-UHFFFAOYSA-N 436.496 5.458 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(CCn1ccnc1)Cc1cccc(Cl)c1 432590501 ZQVWCNQHIJLGGA-UHFFFAOYSA-N 436.987 6.123 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCOC2(CCSCC2)C1 434212630 VRSAWWPYDVZROS-LJQANCHMSA-N 437.565 5.225 30 20 IKED Cc1c(NC(=O)c2cccc(COc3ccccc3C#N)c2)cnn1-c1ccccc1F 435342334 GPAPAZJZRYXZPA-UHFFFAOYSA-N 426.451 5.023 30 20 IKED COc1ccc(-c2ncc(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)s2)cc1OC 436035116 PKXDAPZLLOSLLS-CQSZACIVSA-N 448.331 5.129 30 20 IKED CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 438118400 XPUHXBOZACUGGH-RXVVDRJESA-N 425.916 5.209 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)c2)cc1 439384899 JWUDRPJTWOCNPS-UHFFFAOYSA-N 426.259 5.235 30 20 IKED N#CCC[C@@H](NC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1ccccc1 440090357 UDILEBGMRXRCMJ-CTNGQTDRSA-N 434.540 5.671 30 20 IKED C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1 440276214 ZSTKHFZGUKJDBY-HNNXBMFYSA-N 441.890 5.229 30 20 IKED O=C(Nc1cccc(CCC(F)(F)F)c1)c1nnn(-c2ccccc2F)c1C(F)(F)F 440690413 DTGPWNSCGKGUQR-UHFFFAOYSA-N 446.326 5.172 30 20 IKED Cc1ccc(OCc2ccccc2)c(NC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)c1 442191182 GLBCKGICFRRNST-HSZRJFAPSA-N 440.547 5.004 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3C[C@@H]3C3CCCCC3)cc2Cl)cc1 442550865 DGTZNPMAZRMKTA-TZIWHRDSSA-N 437.927 5.027 30 20 IKED N#C[C@@H](C(=O)c1ccc(F)c(Br)c1)c1nc(-c2c(F)cccc2F)cs1 442808108 GLLRQGMTURQKFK-JTQLQIEISA-N 437.240 5.480 30 20 IKED N#Cc1ccc(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)cc1C(F)(F)F 443881923 IZSPPGDYTDTMMF-UHFFFAOYSA-N 427.860 5.597 30 20 IKED C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(CCCCC(C)(C)C#N)CC1 444652432 RTRORMLCBHJOMS-KRWDZBQOSA-N 449.521 5.154 30 20 IKED CC(C)c1nc(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccc2n1 447335447 PBMOTYFETSUJNQ-INIZCTEOSA-N 436.606 5.878 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H]1c1ccc(COC)o1 460957656 IPWAJTSEJBAXQL-NRFANRHFSA-N 429.524 5.150 30 20 IKED CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1 463478005 LGRXJGNTMIVCGP-UHFFFAOYSA-N 445.494 5.513 30 20 IKED Cc1ccc(O[C@@H](C)CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 466163013 KKMDTLCYZAOTBY-FQEVSTJZSA-N 429.520 5.229 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2ncoc2-c2ccccc2)c1 467596406 WPDWVPQKRKVFDO-UHFFFAOYSA-N 429.863 5.589 30 20 IKED C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 467719507 BONYBKWAIOIMHD-IBGZPJMESA-N 433.552 5.210 30 20 IKED Cc1ccc(-n2[nH]c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)cc2=O)cc1 467977239 KMZHKOUMWLTELJ-UHFFFAOYSA-N 444.878 5.044 30 20 IKED C=C(C)[C@@H](NC(=O)N(C)Cc1ccc(OC)c(OC(F)F)c1)c1ccc(F)c(F)c1 477730719 IACBLWOWCORMSL-LJQANCHMSA-N 426.410 5.034 30 20 IKED C=C(C)Cn1c(SCC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)nnc1-c1ccco1 480523177 ONQQQXXXYGXZIV-GOSISDBHSA-N 442.972 5.223 30 20 IKED CC(C)c1ccc([C@@H]2CCCCN2C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)cc1 480996631 DWYNRCNLDRNBKY-MBSDFSHPSA-N 439.581 5.255 30 20 IKED CN(Cc1nc(-c2cccs2)no1)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 482255811 GEADNPFVCWBRGY-UHFFFAOYSA-N 431.477 5.126 30 20 IKED COc1cccc([C@H]2CN(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CCO2)c1 483227702 IMIFRUAELKEWTR-XMMPIXPASA-N 447.466 5.104 30 20 IKED Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(C)C 483310356 NDLSTUYSASZBDB-XMMPIXPASA-N 427.504 5.111 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 483685645 PAMYTFXPBJMRMP-OAQYLSRUSA-N 445.485 5.888 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3C[C@@H]3c3ccc(C(F)(F)F)cc3)s2)cc1 487389887 UQRMHYOTWXJAQT-RTBURBONSA-N 427.451 5.367 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2C)nnc1-c1cccc(OC)c1 488898496 OMXMRDJIEYFDCI-HNNXBMFYSA-N 442.972 5.221 30 20 IKED CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 490449117 LURKPCKBHVENBU-NFBKMPQASA-N 445.950 5.071 30 20 IKED Cc1ccc(-c2c[nH]cc2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)s1 495034184 AFMMWNZEPPYFSD-UHFFFAOYSA-N 427.529 5.949 30 20 IKED N#Cc1cc(NC(=O)c2ccc(Sc3ccccn3)cc2)ccc1OCC(F)(F)F 499139088 MGWHEOHDYJJMHU-UHFFFAOYSA-N 429.423 5.298 30 20 IKED CCCn1nccc1C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 502229129 POWYRMNWHJHEEA-UHFFFAOYSA-N 443.551 5.677 30 20 IKED N#C[C@H](NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)c1c(Cl)cccc1Cl 505513185 MNZGKDSUEIWMKJ-HNNXBMFYSA-N 435.698 5.010 30 20 IKED C=CCn1c(-c2ncccc2C)nnc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1 508817073 LXXRRQVHWDRZPI-UHFFFAOYSA-N 434.931 5.013 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)CC2)c(F)c1 511956296 RNMYJSVKGSTXOU-UHFFFAOYSA-N 439.494 5.096 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCC(COc3ccccc3)CC2)c1 513698480 BEMALHNVZDWQEA-UHFFFAOYSA-N 426.516 5.068 30 20 IKED COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 515378912 XCGCYWPAMKUYFJ-XMMPIXPASA-N 447.922 5.408 30 20 IKED Cc1c(Cl)cccc1S(=O)(=O)Nc1ccccc1COc1ccc(CC#N)cc1 515695517 MTUVWLVTJIIGMO-UHFFFAOYSA-N 426.925 5.094 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCCc3cc(Br)ccc32)o1 515730822 URBPTMWNHXLCFC-UHFFFAOYSA-N 437.293 5.086 30 20 IKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(OCc2cccc(C)c2)cc1C 517288458 OWPAGFCNRWDEKM-UHFFFAOYSA-N 434.561 5.097 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1 517478386 DSJDKJFQLYLMLR-UHFFFAOYSA-N 425.941 5.352 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 519424267 WYQQFCVCALLOLF-MRXNPFEDSA-N 437.952 5.054 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC3CCN(CCc4ccccc4)CC3)cc2)c1 521809809 JKTOFVDTGRAWQZ-UHFFFAOYSA-N 440.547 5.179 30 20 IKED N#CCCSc1ccccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 522640909 FHQDTHXRUTVKLT-UHFFFAOYSA-N 433.920 6.262 30 20 IKED N#Cc1ccc(CC(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)cc1 524210072 HZFWNXKPQICONX-UHFFFAOYSA-N 443.890 5.627 30 20 IKED N#Cc1cc(NC(=O)CCOCC(F)(F)F)ccc1Oc1ccc(C(F)(F)F)cc1 525205141 RMIWVRNLRDVUHQ-UHFFFAOYSA-N 432.320 5.277 30 20 IKED CCS(=O)(=O)c1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 534973807 WRGQBTFUTHBMFJ-NRFANRHFSA-N 438.936 5.041 30 20 IKED COc1ccc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1-c1ccccn1 535098378 DQVGYODQFYEKPH-SANMLTNESA-N 449.510 5.331 30 20 IKED C[C@H](N[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1)c1ccc(C#N)c(F)c1 537406974 IMZUMLCGJROGQK-STQMWFEESA-N 430.346 5.995 30 20 IKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc(-c3cccs3)nc21 538547587 NMUPNDVVOMUBGJ-HNNXBMFYSA-N 443.557 5.840 30 20 IKED C=CCOc1c(Br)cc(CN[C@H](c2cnn(C)c2)C(C)(C)C)cc1OCC 539526721 XIIOEQKUOFAGJY-HXUWFJFHSA-N 436.394 5.023 30 20 IKED CN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 540669774 PYXHVUHNVPMFLM-UXHICEINSA-N 426.442 5.395 30 20 IKED N#CC1(c2ccc(C(=O)N3CCC[C@H](Cc4nc(C5CCCCCC5)no4)C3)cc2)CC1 540764914 MYSZELQLMXDACT-LJQANCHMSA-N 432.568 5.157 30 20 IKED CSc1ccc(C)c(NC(=O)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 541134264 OQFUMSBXELIXDW-KRWDZBQOSA-N 429.545 5.072 30 20 IKED N#CCCn1cc(/C=C/c2nc(-c3ccc(Oc4ncccn4)cc3)no2)c2ccccc21 546329194 IHJLFJNKXQRJQY-FMIVXFBMSA-N 434.459 5.358 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@H](Cc2ccccc2Cl)c2ccccc2)CC1 548900846 DUFZLKKSGGRJQS-HSZRJFAPSA-N 444.966 5.286 30 20 IKED N#Cc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)ccc1F 551563674 OAGQEKCFTUCNRS-UHFFFAOYSA-N 427.357 5.221 30 20 IKED Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 554999708 PWJJNXIPCUWRQG-RTWAWAEBSA-N 444.922 5.198 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)N(CCC#N)CCCN(C)C 564126375 VOQCYDAIOYISMH-UHFFFAOYSA-N 439.560 5.110 30 20 IKED CSCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)c1ccccc1C#N 581269632 AJGRGZDANUYUCA-UHFFFAOYSA-N 426.545 5.004 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(F)cc3OC3CCCC3)CC2)c(F)c1 588266530 TZZIUMGRZNAYCM-UHFFFAOYSA-N 441.478 5.233 30 20 IKED N#CCCCCCC(=O)N(Cc1ccc(OC(F)F)cc1)C12CC3CC(CC(C3)C1)C2 588943658 UMAGPXGEMPATQU-UHFFFAOYSA-N 430.539 6.059 30 20 IKED Cc1ccc(-c2cc(C(=O)N(C)Cc3cccc(C#N)c3)c3cnn(C(C)C)c3n2)s1 603511295 MVUCKJRRRGZPDD-UHFFFAOYSA-N 429.549 5.193 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c2)cc1 604691286 WLICFPWPYWKKAJ-FQEVSTJZSA-N 427.460 5.376 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1cc(O)nc2cc(F)ccc12 606783928 XLOOISVEHMJJCZ-UHFFFAOYSA-N 448.294 5.292 30 20 IKED COc1cccc(-c2noc([C@@H](C)NC(=O)Nc3cccc(C#Cc4cccs4)c3)n2)c1 608273230 OVECPDHOFMFPJQ-MRXNPFEDSA-N 444.516 5.089 30 20 IKED C[C@@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)NC(=O)C1CCCCC1 608937549 DPYSUCJCCXBDBS-HTAPYJJXSA-N 437.971 5.409 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(-c4cn5cccnc5n4)c3)c2)cc1 609126576 FECOPHHRMRQCKU-UHFFFAOYSA-N 431.455 5.313 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)cc1 609207333 QLPNRZFLRMVOET-AREMUKBSSA-N 443.522 6.134 30 20 IKED CCSc1ccc(Cl)cc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 609209449 FIVVITBNCCKJDP-UHFFFAOYSA-N 428.989 5.063 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccc(Cl)c(C(F)(F)F)c1 609370691 OJPBIMLTZRDXKK-LBPRGKRZSA-N 428.863 5.628 30 20 IKED N#C[C@H](NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1cccc(Cl)c1Cl 609414675 FXLJOCFQJZMEGV-HNNXBMFYSA-N 439.224 5.193 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N(Cc3cccs3)C[C@@H]3CCCO3)cc2)cc1 609497956 YSCYLYCTBQCZEP-QHCPKHFHSA-N 432.545 5.428 30 20 IKED CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1 609503331 OSDQEYXFVWUHQD-UHFFFAOYSA-N 448.910 5.132 30 20 IKED N#C[C@@H](NC(=O)c1cnc(-c2ccccc2Cl)s1)c1ccc(Br)cc1 609589022 FRUAMOMDKUORIC-OAHLLOKOSA-N 432.730 5.221 30 20 IKED C[C@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nc(-c2ccncc2)cs1 609662398 CNTFQVVAOUQDOA-KRWDZBQOSA-N 440.528 5.147 30 20 IKED Cc1cc(C)nc(Sc2ccc(NC(=O)c3c(Cl)cc(C#N)cc3Cl)cc2)n1 611092712 DFPCGDKWMNGTEQ-UHFFFAOYSA-N 429.332 5.675 30 20 IKED CCCc1c(NC(=O)N2CCc3[nH]c4ccc(C)cc4c3C2)cnn1-c1cccc(C#N)c1 615269620 XFVSZWSVFZZAPQ-UHFFFAOYSA-N 438.535 5.076 30 20 IKED C=CCC[C@H](Nc1ncnc2ccc(S(C)(=O)=O)cc12)c1ccc(C(F)(F)F)cc1 683393292 RUOSQMCDVMEKNI-SFHVURJKSA-N 435.471 5.172 30 20 IKED CCC(CC)(C(=O)OCC(=O)Nc1ccccc1SCC#N)c1ccc(Cl)cc1 726838446 LUYHSLLXZQMZRW-UHFFFAOYSA-N 430.957 5.195 30 20 IKED C=C(C)COc1cccc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)c1 727330713 SHARXKSIPGSSJI-UHFFFAOYSA-N 430.335 5.754 30 20 IKED CC(C)(C)C1C/C(=C/c2cccc(OCC#N)c2)C(=O)/C(=C/c2cccc(OCC#N)c2)C1 727744982 OAPHEXMMMINTHC-OQRYGUKSSA-N 440.543 5.984 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3cccc(C4SCCS4)c3)CC2)c1 729551549 XVMBKDCHRUEDBV-UHFFFAOYSA-N 425.579 5.112 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2sc3cc(Br)ccc3c2Cl)nc2ccccc21 729886270 DGXQNBCWIPIOAS-LBPRGKRZSA-N 444.741 5.694 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C\c2cccc(OCC#N)c2)C(=O)c2ccccc2)c(Cl)c1 730151510 LQYNJICHJNVLAE-JWGURIENSA-N 444.918 5.764 30 20 IKED C=CCNC(=S)N(Cc1cccc(C(F)(F)F)c1)Cc1cccc(C(F)(F)F)c1 730594586 FDJWJXYGHACOGJ-UHFFFAOYSA-N 432.433 5.787 30 20 IKED Cc1ccc(-n2nc(C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)c3c2CCCC3)cc1 731136571 SWYJTXQMYCYHOQ-OAQYLSRUSA-N 436.515 5.055 30 20 IKED N#CCOc1ccc(CC(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 731975790 GSSUDEJSNNAIKZ-UHFFFAOYSA-N 425.315 5.344 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(Cl)c3SC(F)F)cc2)nc1 731986151 IHAOHVOSMPOYCO-UHFFFAOYSA-N 431.851 5.966 30 20 IKED CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 732378763 BVEANJVKVMWHNT-KRWDZBQOSA-N 446.528 5.451 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(CC)Cc2ccc3ccccc3c2)ccc1OC 733656212 JBXYHSQGOMZBIS-HSZRJFAPSA-N 431.536 5.261 30 20 IKED N#C[C@H](C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)c1nc(-c2ccncc2)cs1 734081784 RONRHOZGSULJHZ-AIOIPUTFSA-N 433.842 5.767 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cn1 734323992 ZAHDNNJDMMKAOH-UHFFFAOYSA-N 444.491 5.132 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)OC(=O)Cc1ccc(OCC#N)cc1 734729691 PLTUWFLOBIIYFW-HNNXBMFYSA-N 426.925 5.521 30 20 IKED COC(=O)N(C)Cc1ccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 735366483 OXGMTTBJNAHVIR-QHCPKHFHSA-N 428.492 5.184 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)NCCSCc2ccccc2C#N)c1 735578511 KFXHELIEGFCOMO-UHFFFAOYSA-N 444.532 5.099 30 20 IKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccccc2)[n+]2cc(O)cc(Cl)c2)cc1Cl 738009220 XSAMESJQRDEKEB-UHFFFAOYSA-O 443.335 5.181 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1OC 740059144 HEAWHTRAIXHCFI-NRFANRHFSA-N 447.560 5.351 30 20 IKED O=C(Nc1cccc(/C=C\C(=O)c2c(Cl)nc3sccn23)c1)c1ccc(Cl)cc1 741844725 QLXADOHGMLHEHF-WTKPLQERSA-N 442.327 5.851 30 20 IKED CN(Cc1nccn1Cc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 743093263 QEEULLAGYSASMV-RUZDIDTESA-N 435.531 5.251 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccc(C(F)(F)F)cc2)c1 744762232 ZDIWRTLIDSEAQN-UHFFFAOYSA-N 434.487 5.479 30 20 IKED O=C(/C=C\c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1cccc(N2CCOC2=O)c1 745625485 AQQNIHGBLSEQLU-HJWRWDBZSA-N 444.434 5.682 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN(Cc2ccc(Cl)c(Cl)c2)C2CC2)c1=S 746706981 UIDJJDSMDPTLRB-UHFFFAOYSA-N 446.407 5.591 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc23)c1 749994390 BRXSNSPNYABQCL-MAUKXSAKSA-N 439.968 5.366 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)cc1 756962943 JYQSWNKJBMGNAJ-IRLDBZIGSA-N 432.545 5.449 30 20 IKED C=CCn1c(-c2cccs2)nn(CN(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1=S 758263539 RCTMDTQYDRNNMB-OALUTQOASA-N 444.601 5.277 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)C1(c2ccc(Br)cc2)CCCCC1 760792284 LTULJXTUEKJDDV-UHFFFAOYSA-N 431.305 5.331 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)c3cccc(OCc4cccc(Cl)c4)c3)CCO2)c1 762299561 KAZVAPLIHWIZCW-XMMPIXPASA-N 432.907 5.004 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1cccc(OCc2ccccc2)c1 766964259 FNDQLQLCAUGHBS-LJQANCHMSA-N 430.504 5.092 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 768166821 BZGNKLPFDDDDCP-NRFANRHFSA-N 431.473 5.016 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)cc1 769945933 MAEWXFUIVIXVQN-OSPHWJPCSA-N 439.515 5.158 30 20 IKED N#C[C@H]1C(CN[C@H](c2ccc(Cl)cc2)C2CCCC2)=CC(=O)n2c1nc1ccccc12 775379240 OTBDWKNBYGGTAE-RDPSFJRHSA-N 430.939 5.398 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)c3ccc(C4(C#N)CC4)cc3)cc2C(F)(F)F)C[C@H](C)O1 776890677 SYBNPLVPGTTYGG-HOTGVXAUSA-N 443.469 5.126 30 20 IKED N#CCc1ccccc1CC(=O)O[C@@H](CC(F)(F)F)c1ccc(Br)cc1 776906863 QHZUYUTWSZSHNV-KRWDZBQOSA-N 426.232 5.295 30 20 IKED N#Cc1cc(N[C@H]2CCCc3cc(SC(F)F)ccc32)ccc1N1CCC(O)CC1 777118498 VYRLEWQYEHUHLE-NRFANRHFSA-N 429.536 5.324 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](CC2CCC2)c2ccccc2)cc1 778166841 GNDNUPQDYDTXJH-FTJBHMTQSA-N 437.543 5.328 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 779495813 LNMFTIPSZGVJBR-YADHBBJMSA-N 434.540 5.015 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1ccccc1O[C@@H](C)C#N 780162299 PMOQVLGBJJNNHM-ZDUSSCGKSA-N 429.307 5.090 30 20 IKED Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 782552420 FJRNTMDTOMAJNV-BJKOFHAPSA-N 427.552 5.831 30 20 IKED Cc1cc(Br)cc(NC(=O)Cc2ccc(C#N)cc2)c1NC(=O)OC(C)(C)C 784690159 FEVPYKHCPNQZED-UHFFFAOYSA-N 444.329 5.157 30 20 IKED C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1c[nH]c2ccccc12 786303595 IMABSSXTMIJLOG-DYVFJYSZSA-N 427.476 5.324 30 20 IKED CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797570384 GMMNEGZNUVJYBF-SJORKVTESA-N 431.989 5.115 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC(F)(F)F)cc1 799222202 XTYUBMRVMHPZOP-GOSISDBHSA-N 449.498 5.134 30 20 IKED CN(C)C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1 801663078 GNOFCZVPAOATFF-ZEQRLZLVSA-N 432.955 5.420 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)[C@@H](F)c1ccc(C(F)(F)F)cc1 802123980 YEBWZKZZQAHDHP-QMMMGPOBSA-N 436.192 5.430 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)n1ccc2ccccc2c1=O 805857888 JFBBXBWTOPSXJS-MLGOLLRUSA-N 441.434 5.067 30 20 IKED O=[S@@](Cc1cc(F)c(C(F)(F)F)cc1F)Cc1ccc(Cl)nc1C(F)(F)F 806641755 JWQZXFDGFCHNJT-HHHXNRCGSA-N 437.739 5.500 30 20 IKED Cn1c([C@@H](C#N)C(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)nc2ccccc21 810519593 HVEWHZWCPAOXAN-HNNXBMFYSA-N 436.487 5.129 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1csc(Br)c1 914559398 MDYALNGRGUJJPX-UHFFFAOYSA-N 430.352 5.140 30 20 IKED COc1ccc(CSCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1[N+](=O)[O-] 915181157 XXYPOTJHOFSCIK-NRFANRHFSA-N 447.516 5.131 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 916900597 QSZGENDINZWGNF-PMACEKPBSA-N 436.621 5.985 30 20 IKED Cc1ccc(-c2nc(CC(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cs2)cc1 916928653 QHUXQEGKTOSTOM-MRXNPFEDSA-N 444.343 5.315 30 20 IKED N#C[C@H](C(=O)CSc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(F)c(Cl)c1 916937038 ALLKEDWEQFBBMZ-LLVKDONJSA-N 431.703 5.226 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(COc3ccccc3C#N)o2)cc1 916951141 WWBRGBBNQINCSB-VGOFRKELSA-N 441.487 5.205 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C\C2=Cc3cc(Br)ccc3OC2)S1 920065263 XIWNHMUFLITMIV-GIJQJNRQSA-N 441.350 5.276 30 20 IKED COc1ccccc1-c1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(O)n1 1125536089 IKWGULMVAGATHZ-UHFFFAOYSA-N 437.455 5.379 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCOc3ccccc3)cc2)CCC1 1787676821 HLOWMELFTMELML-DEOSSOPVSA-N 432.564 5.358 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3scnc3C(F)(F)F)CCC2)cc1 1791247451 XDOOZIOUXGRPAK-CYBMUJFWSA-N 437.487 5.122 30 20 IKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3ccccc3C3CC3)cc2)CCC1 1792086492 ZUFHMZNBYLWCBP-OGLMXYFKSA-N 441.531 5.024 30 20 IKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H](C)c1ccccc1)c1ccccc1 1801749349 MRHGLTFCXXJQHB-TVMVJRKWSA-N 442.603 5.016 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3ccoc23)[C@@H]1c1cccnc1 1802499033 FKBIXATXHBLIDM-JTHBVZDNSA-N 445.563 5.140 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2C2CC2)[C@@H]1c1cccnc1 1802501357 MAQOYMVOQDAVGJ-RCZVLFRGSA-N 445.607 5.271 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cccc(F)c3Cl)CC2)C1 1804866842 PHTJFBWVYVWBAG-UHFFFAOYSA-N 434.983 5.316 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2ccccc2C)[C@@H]1c1cccnc1 1812750092 CIVVMSRJXVLUJD-AHWVRZQESA-N 447.623 5.021 30 20 IKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2C)CC1)C(F)(F)F 1823915234 DEUFYRJYNKIDHJ-IBGZPJMESA-N 442.909 5.000 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)ccc2OC)CC1 1829072311 XESRKESUEHIDBV-JOCHJYFZSA-N 444.591 5.060 30 20 IKED CC(C)=CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1830258106 AJCPNQHSJHMWEL-OFVILXPXSA-N 435.612 5.293 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)ccc2C)CC1 1830624646 FOEYREJJFZLJHQ-DEOSSOPVSA-N 440.628 5.229 30 20 IKED C=CCNc1nnc(SCc2csc(N(C(C)=O)c3ccccc3CC)n2)s1 11393272 IJAWKWYCYDXQJS-UHFFFAOYSA-N 431.612 5.132 30 20 IKED Cc1ccc(-c2c(C)sc3nc(CSc4nc(C)cc(C)c4C#N)[nH]c(=O)c23)cc1 14901930 PNKAZJGQGGLYFM-UHFFFAOYSA-N 432.574 5.444 30 20 IKED N#CCc1ccc(N[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)cc1 15499153 UIHIZPCYNLJIGZ-NRFANRHFSA-N 443.856 6.217 30 20 IKED C=CCN(C(=O)c1cc2ccccc2n1CC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 58041196 QUTNBTRSRSRLBS-UHFFFAOYSA-N 432.505 5.526 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCCC(=O)Nc2ccc(Br)cc2)n1 116539827 ZAGYWHOPHZTYSQ-UHFFFAOYSA-N 444.276 5.164 30 20 IKED C[C@@H](C#N)Oc1ccc(CNC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)cc1 237508831 ZIZUEGVARLVTLD-QFIPXVFZSA-N 442.559 5.352 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)CSCc3cccc(Cl)c3)s2)cc1 255950199 VZAHVAXFLRMNMV-UHFFFAOYSA-N 447.010 5.227 30 20 IKED C=CCN(C(=O)c1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1)c1nc(-c2ccccc2)cs1 302948242 LYGQLFZOFNYYBA-PMACEKPBSA-N 447.604 5.252 30 20 IKED C=C(C)[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)c1ccc(F)c(F)c1 427064199 JFHCBWLUOUJYKB-QHCPKHFHSA-N 447.441 5.001 30 20 IKED N#CCCCOc1cccc(NC(=O)C(=O)Nc2ccccc2Oc2ccc(Cl)cc2)c1 437059421 BGVXQPNBGNEATI-UHFFFAOYSA-N 449.894 5.392 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](c2ccccc2)c2cccnc2)cc1F 438668918 PQJWAGXNAGSUQY-VWLOTQADSA-N 438.462 5.796 30 20 IKED CC(C)n1cnnc1-c1ccccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 439642424 HVLBBLKHEMYWAT-UHFFFAOYSA-N 441.466 5.581 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 440092128 NJJDQHPUDJSTJQ-SHTZXODSSA-N 448.375 5.000 30 20 IKED N#CCC[C@@H](NC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1)c1ccccc1 440234645 AXWYYGYGXMWIJO-TZIWHRDSSA-N 449.942 5.324 30 20 IKED COc1ccc2ccccc2c1CN(Cc1nnc(-c2cccc(C#N)c2)o1)C1CCCC1 441485092 ZTJGWSKDMFATQP-UHFFFAOYSA-N 438.531 5.715 30 20 IKED CCN(C(=O)C(=O)Nc1cc(C#N)ccc1C)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 441654818 DYRFHIJDEZELCS-LJQANCHMSA-N 441.531 5.091 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Br)c3C)n2)cc1 442855891 CGPOZEBDBQJPBP-INIZCTEOSA-N 427.323 5.380 30 20 IKED CCN(CCC#N)C(=O)Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1 448154309 HZRIUOGRHBKCKH-UHFFFAOYSA-N 429.343 5.493 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 463141228 CDXHRQDXTQOLHB-UHFFFAOYSA-N 442.450 5.454 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(CCCc3ccccc3)o2)c1 463219583 QALQQNWQSCLZSF-HXUWFJFHSA-N 448.592 5.289 30 20 IKED C=CCN(C(=O)CS[C@@H](C)[C@@H](C)O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 463231719 OQIOQHLSYPXIGW-NEPJUHHUSA-N 431.410 5.138 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCc1ncc(-c2ccc(Br)cc2)o1 467265342 VDKWRDNVYYMAOC-AWEZNQCLSA-N 428.355 6.110 30 20 IKED Cc1c(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)ccc(C(F)(F)F)c1F 467995306 SLBMTTOCYACPCD-SNVBAGLBSA-N 440.384 5.648 30 20 IKED CSc1cccc([C@@H](NCc2nnc(-c3ccc(C#N)cc3)o2)c2cc(F)ccc2F)c1 471643419 IHDUUALRLYOLPR-HSZRJFAPSA-N 448.498 5.488 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3ccccc3O[C@@H](C)c3ccccc3)C2)n1 471900344 DWDFGWKELJYBCI-NZQKXSOJSA-N 440.547 5.257 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCOc2c(C)cccc21 474501586 SVMQFTDDDSWVDP-XMMPIXPASA-N 427.504 5.399 30 20 IKED C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)CCC(=O)N(CCC#N)c1ccccc1 474896484 ZSJDUQXFXDTVIX-MOPGFXCFSA-N 425.960 5.017 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 475543879 AJYVSHWYYHZUIN-OAQYLSRUSA-N 432.486 6.163 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 475567741 XXKRKVHIQIXXDR-XMMPIXPASA-N 446.570 6.827 30 20 IKED N#CC[C@H](CC(=O)N1CCCCC[C@@H]1c1noc(-c2ccc(F)cc2)n1)c1ccccc1 476673784 YWRKHSXJOBXXDU-IFMALSPDSA-N 432.499 5.407 30 20 IKED CCc1cc(Br)ccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 478027896 YBIZMCFRJFGYII-UHFFFAOYSA-N 446.320 5.098 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(CN(C)C)c(Cl)c2)cc1C 478034090 FJRNHOZXELXUOM-UHFFFAOYSA-N 435.959 5.048 30 20 IKED N#CC1(NC(=O)C[C@H](Cc2ccccc2)c2ccccc2)CCN(Cc2ccccc2)CC1 479254009 WCNRJIGUUOCDLU-MHZLTWQESA-N 437.587 5.078 30 20 IKED CCCN1C(=O)CCc2cc(NC(=O)c3ccccc3Oc3ccccc3C#N)ccc21 480839788 LVDHLYCNGLUVOR-UHFFFAOYSA-N 425.488 5.292 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-n4nc(C)cc4C)c(F)c3)n2)cc1 483282652 JYIBFPPAPOISOU-LJQANCHMSA-N 446.507 5.250 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3c(C)cc(C)cc3C)o2)c1 483291286 FOCPPXKERNWKBG-FQEVSTJZSA-N 448.592 5.706 30 20 IKED O=C(CN[C@@H](c1ccc(F)cc1)C(F)(F)F)Nc1ccc(Cl)cc1C(F)(F)F 488191650 VSFJTOVUHGIMDK-HNNXBMFYSA-N 428.735 5.330 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)nnc1-c1ccccn1 488903635 SEWLGIBZWUAQDC-ZWKOTPCHSA-N 443.576 5.037 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3csc(-c4ccc(OC)cc4)n3)o2)cc1 489769138 RIIBRUBJFITTKR-UHFFFAOYSA-N 437.546 5.726 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)c3cccc(Br)c3)o2)cc1 489791800 PZJIAVQCPIQSEM-UHFFFAOYSA-N 431.311 5.039 30 20 IKED CN(C(=O)c1ccccc1NCc1cc(C#N)ccc1Br)C1CCCCC1 492582577 MCUOFPJQYFIRQL-UHFFFAOYSA-N 426.358 5.338 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)c1 498236335 HWWNDMCVSINKDJ-DEOSSOPVSA-N 446.526 5.390 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1 499535344 UNMHVQXOBWMXIG-UHFFFAOYSA-N 436.515 5.636 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2)cc1 501424541 REMBJDCPFHOGHL-UHFFFAOYSA-N 427.416 5.238 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)CCc3nnc(-c4ccsc4)o3)c2)cc1 501439493 AECHKLUEVPBYSD-UHFFFAOYSA-N 444.516 5.014 30 20 IKED CSc1ccccc1[C@@H](C)NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 501528110 BRBLFZVAXCKOEW-GOSISDBHSA-N 432.593 5.036 30 20 IKED C[C@@H](CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(F)cc1F 503344277 LUDUIIHMLLPVCK-LBPRGKRZSA-N 430.505 5.113 30 20 IKED Cc1cc(C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)nn1-c1cccc(C#N)c1 503701880 NNGYUVJYBNYQDX-UHFFFAOYSA-N 436.968 5.103 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(S[C@@H](C(=O)N3CCCC3)C(C)C)n2)o1 504489142 OSHOMYWVSMBGFC-GOSISDBHSA-N 437.487 5.280 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C 504690985 DRRJGBAHHVKZMI-AWEZNQCLSA-N 432.952 5.494 30 20 IKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCc3nnc(-c4ccccc4)o3)c2C#N)C1 506883903 IDMBDCKSVLIMGX-INIZCTEOSA-N 434.565 5.392 30 20 IKED N#Cc1ccc(OC2CCN(CCC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1 507858950 JASYTZJYRILSAK-UHFFFAOYSA-N 425.532 5.097 30 20 IKED COc1ccc(CCCN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 510861175 WOMHKXLEOPNCSA-UHFFFAOYSA-N 429.520 5.764 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 510921768 YOIPEOUCHJBCRN-VWLOTQADSA-N 427.504 6.037 30 20 IKED COc1ccc(NC(=O)C2(C#N)CCCCC2)cc1NC(=O)c1ccc(Cl)cc1F 512802746 WIYVQXZMNSOSBP-UHFFFAOYSA-N 429.879 5.153 30 20 IKED Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)c12 512958904 QFHUSNRBDIULCK-SFHVURJKSA-N 437.484 5.207 30 20 IKED N#C[C@@H](C(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1nc(O)c2c3c(sc2n1)CCCC3 513692731 SXYKZRSSJDWYEH-KRWDZBQOSA-N 442.544 5.126 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(-c2csc(C)n2)s1 514807464 MSMYMXBXJAKBLP-UHFFFAOYSA-N 429.615 5.245 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(CN2CCCC[C@H]2C)cc1 518255495 NHFWYKQRVVGFEK-WOJBJXKFSA-N 436.625 5.777 30 20 IKED Cc1cc(C)c(NC(=O)CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(C)c1 518259515 MKFRNZFVOHXCKH-UHFFFAOYSA-N 428.492 5.036 30 20 IKED COc1cc(C)ccc1Oc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cn1 519063934 KOKZVGUQGLRRCG-UHFFFAOYSA-N 430.508 5.505 30 20 IKED COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 521091240 IMZWUEOVEFOMIY-XMMPIXPASA-N 427.504 5.512 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCCN(c3ccccc3)C2)cc1 522429964 HBKKCTQPUGQIMZ-OAQYLSRUSA-N 442.519 5.150 30 20 IKED COc1ccc(-c2csc(NC(=O)c3occc3COc3cccc(C#N)c3)n2)cc1 522483368 ITBQJRMXBMEHLA-UHFFFAOYSA-N 431.473 5.115 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 522645259 KWBRETDSMJFZDS-QKVFXAPYSA-N 433.936 5.304 30 20 IKED N#C[C@@H](C(=O)c1cccc(-n2cncn2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 523796794 CERHDRSZFLUSMA-INIZCTEOSA-N 440.315 5.188 30 20 IKED COc1ccc(F)cc1[C@@H](C)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 523819067 GMKPFXQANUWCLR-QGZVFWFLSA-N 435.474 5.318 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)c1 524435537 JEUHIDTVKITVMQ-UHFFFAOYSA-N 445.482 5.099 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 524565286 OEKBZEZNTSJGCU-OALUTQOASA-N 446.576 5.795 30 20 IKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cn3c(=O)sc4ccccc43)c2C#N)C1 525596622 SXXZYXYIEQDIGA-CQSZACIVSA-N 439.606 5.176 30 20 IKED COC(=O)CCC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 531480029 ZDNSSNRCACXXGO-OAQYLSRUSA-N 439.943 5.193 30 20 IKED N#CCc1ccnc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C4)C3)c1 531924599 LJMWHUJRIOTAIH-GQCRLJEBSA-N 445.407 5.208 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(CCc1nccs1)C(C)C 533599098 LJJAXSVWEGKTFE-UHFFFAOYSA-N 434.565 5.387 30 20 IKED N#CC1(c2ccc(C(=O)N(Cc3cccc(C(F)(F)F)c3)Cc3ccccn3)cc2)CC1 537460136 KDBGVRZDJSNLNO-UHFFFAOYSA-N 435.449 5.498 30 20 IKED C=CCN(C(=O)CCc1ccc2[nH]ccc2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 538415460 AKJOMMFCDOGCND-UHFFFAOYSA-N 432.505 5.351 30 20 IKED C=CCN(C(=O)c1cc(C)n(-c2ccc(OC)cc2)n1)c1nc(-c2ccccc2)cs1 539946878 QVKPXFBXAHGUJH-UHFFFAOYSA-N 430.533 5.146 30 20 IKED Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3ccc(-c4ccc(Br)s4)s3)nc12 542952598 ZXPHPOANRHIUGN-SNVBAGLBSA-N 443.351 5.309 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)C(F)(F)F 548183808 OZOVLMRGMBBDHS-QKKBWIMNSA-N 441.457 5.025 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC(NC(C)C)CC1 549322474 UHVIDHAKMOCVKK-UHFFFAOYSA-N 445.611 5.067 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(SCc2csc(C)n2)cc1 553078488 MUNBVVVUNFTDRX-UHFFFAOYSA-N 428.579 5.048 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCCc1cc(Br)ccc1F 553319859 GFLFAGWXYZAGCQ-CYBMUJFWSA-N 436.350 5.347 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1C[C@]12CCc1cc(Br)ccc12 553455061 FQVLSZAKXNZLGG-GMAHTHKFSA-N 442.401 5.035 30 20 IKED C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CCC(c2ncccc2Cl)CC1 555220484 CSZSCFUNJMVPEX-RXVVDRJESA-N 444.023 5.205 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(Nc2cccc(C)c2)CC1 555290828 WSGQNVGVRFRELN-UHFFFAOYSA-N 440.595 5.316 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)cc1 556132841 CWPGOFAJWUTTIA-UHFFFAOYSA-N 443.469 5.330 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1 561214099 MBDXRJWNAXAHMP-QHCPKHFHSA-N 443.515 5.488 30 20 IKED Cc1noc([C@H]2CCCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1 568311098 RIJWTCYOYGVBOW-PZJWPPBQSA-N 435.915 5.446 30 20 IKED Cc1ncccc1CC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 568425355 BBDIRFUIZGCBLR-OAHLLOKOSA-N 444.297 5.390 30 20 IKED C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N(C)Cc1cccc(C)n1 570730958 OORJGQXLEKRJIF-UHFFFAOYSA-N 425.536 5.050 30 20 IKED CSC[C@](C)(C#N)NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 571003505 XPOAHQBBHGWBHC-IBGZPJMESA-N 437.352 5.012 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cccc(Br)c1Cl 572064412 ARESCTSOLBXVIU-NSHDSACASA-N 445.791 5.298 30 20 IKED Cc1c(C[S@@](C)=O)cccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 579637254 SSWDOVJQLMOWJB-SSEXGKCCSA-N 438.936 5.443 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)[C@@H](C)Cc1ccccc1C(F)(F)F 584131805 YUHRIYLUYAPUAE-HOTGVXAUSA-N 435.515 6.052 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1ccncc1C(F)(F)F 584486167 RZSGBOGKNZNYFV-UHFFFAOYSA-N 430.270 5.410 30 20 IKED N#Cc1ccc(Cl)c(C(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)c1 586807515 XUJWYQQVVHHNTJ-OAHLLOKOSA-N 431.639 5.398 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1OCc1cscn1 603738961 MYNLFUIWNXVNQW-UHFFFAOYSA-N 442.500 5.342 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCCn2cnc3ccccc32)cc1 604249084 FQMLJWGKVKJHQH-UHFFFAOYSA-N 426.495 5.056 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 605363169 MYCJRKJYVRSJPK-HNNXBMFYSA-N 448.935 5.637 30 20 IKED Cc1csc(-c2cccc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)c2)n1 608819714 BSHUJWGLHJWUGR-UHFFFAOYSA-N 441.560 5.765 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1csc(-c2cccnc2)n1 609378333 COFFQKQHQJFGNE-UHFFFAOYSA-N 448.495 5.411 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1csc(-c2ccccn2)n1 609381692 KVIJTZQDIXDCLN-UHFFFAOYSA-N 448.495 5.411 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 609436751 FBAQAAHTOQXDHP-FXAWDEMLSA-N 427.545 5.433 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N(Cc3cscn3)c3ccccc3)cc2)cc1 609505384 CWSIJLBZWQTYAT-UHFFFAOYSA-N 425.513 5.848 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Oc2ccccc2OC)cc1 609546880 GTIRFELLRUCTAV-UHFFFAOYSA-N 429.520 5.481 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NCc3nc(-c4ccc(Cl)cc4)no3)cc2)cc1 609663739 CDROMHDACUEGDH-UHFFFAOYSA-N 444.878 5.178 30 20 IKED C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609929298 MKTCVGBNVCVTHQ-LAUBAEHRSA-N 447.485 5.825 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@@H](Cc4ccc(F)cc4)C3)cc2F)c1 609929395 XKPZNDIXBUANRV-FQEVSTJZSA-N 447.485 5.512 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)N[C@H](C)c1ccc(C#N)cc1 610163452 OIDRJRWUFIUMJC-MRXNPFEDSA-N 427.483 5.442 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)cc1Cl 610224493 SLTUCHNJYPYXGY-HSZRJFAPSA-N 444.897 5.501 30 20 IKED CCOC(=O)c1sc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)c(C#N)c1C 610575490 YQSISZUIDQELSU-BRRVFRNMSA-N 440.487 5.192 30 20 IKED N#C[C@H](C(=O)c1ccc(C(F)(F)F)nc1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 613394368 YMAVHQFNNNXZTE-JISUQADQSA-N 431.483 5.515 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc(OC)c1OC 615974067 IJBYXGNIQJDKFJ-UHFFFAOYSA-N 440.883 5.183 30 20 IKED COC[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1cccc(C(F)(F)F)c1 618216035 MKXZOFKYWRXZNM-FQEVSTJZSA-N 429.442 5.081 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 619836122 JEDRPPQSFHGFPC-AREMUKBSSA-N 427.552 5.230 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c1C(F)F 676165658 SGUKWVZOVPPXQA-ONGXEEELSA-N 441.322 5.164 30 20 IKED O=C(c1cc2ccccc2cc1OC(F)F)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 677767700 NAHGYTLMNHIGJZ-CHWSQXEVSA-N 427.291 5.254 30 20 IKED CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1OCC 726626752 KXIWGRACLTWYNT-GRSHGNNSSA-N 444.965 5.415 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc4c(c3)OCO4)n2)cc1 726733447 YRGGBQJINJXGIF-KDOFPFPSSA-N 447.516 5.013 30 20 IKED COc1ccc(C=NNc2ccc(OCC(F)(F)F)cc2)cc1OCc1cccnc1 727262775 XNMNENFZHMHCGG-UHFFFAOYSA-N 431.414 5.056 30 20 IKED COc1cccc(-c2nc(/C=C\C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)cs2)c1 727267273 FFJKOMPJIGIGJR-FPLPWBNLSA-N 439.449 5.148 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(F)cc3NC(=O)c3ccoc3)c2)cc1 729375726 SJSPQUBZEKPTBO-UHFFFAOYSA-N 441.418 5.587 30 20 IKED Cc1ccc(-c2cc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c3ccccc3n2)o1 729416566 PMMMGNPDIXNAKX-UHFFFAOYSA-N 437.499 5.359 30 20 IKED N#Cc1ccc(CCC(=O)O[C@H](c2cc(Br)ccc2F)C(F)(F)F)cc1 730406646 WKCPYUHMNDSGHM-QGZVFWFLSA-N 430.195 5.239 30 20 IKED Cc1cc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc(C)c1OCc1cccnc1 731644919 XGCCOHXFWPHWGN-NRFANRHFSA-N 440.330 5.579 30 20 IKED Cc1cccc(NC(=O)c2ccccc2NC(=O)CCCCOc2cccc(C#N)c2)c1 731958905 WAMSPSPHVCHBCQ-UHFFFAOYSA-N 427.504 5.307 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)OCc3cccc(NC(=O)c4ccccc4)c3)cc2)nc1 732499382 BWFJAPAEFFTGLK-UHFFFAOYSA-N 449.466 5.355 30 20 IKED COc1cc(COC(=O)c2ccc(Cl)nc2Cl)ccc1OCc1cccc(C#N)c1 735137291 VJKLDYDKTGQGEH-UHFFFAOYSA-N 443.286 5.205 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)OCC(=O)Nc2cc(F)ccc2F)c1 735165650 PGVMGRFZTUZQFW-UHFFFAOYSA-N 442.805 5.078 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)cc1 735271736 WTMMHAYRAJGKIZ-UHFFFAOYSA-N 435.574 5.348 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/COc3ccc(C)c(C)c3C2=O)cs1 737445365 YPYZWNPAINEBAF-YBEGLDIGSA-N 438.936 5.757 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)c(C)cc2C)[n+]2cc(O)cc(Cl)c2)c1 738005813 AKSABZQPSMGIEY-UHFFFAOYSA-O 449.983 5.563 30 20 IKED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 738375233 XWNZSUAMFHXFMR-INIZCTEOSA-N 448.388 5.122 30 20 IKED CCOc1c(Br)cc(/C=C\C(=O)c2c(Cl)nc3sccn23)cc1OC 741847693 KPMCFGZAPPWLPG-PLNGDYQASA-N 441.734 5.115 30 20 IKED N#Cc1cc(NC(=O)/C=C\c2ccc(-c3ccc(F)cc3)s2)ccc1N1CCC(O)CC1 743835335 VYSPUZKPFOQPLR-YFHOEESVSA-N 447.535 5.039 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1 747975765 BTDMHBAMBNPZLF-IZZNHLLZSA-N 443.522 5.694 30 20 IKED O=C(/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccc(N2CCOC2=O)cc1 748583907 LKHJMBJWZLAJFS-PQMHYQBVSA-N 446.890 5.445 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(F)cc(C(F)(F)F)c1 756634779 FSPGDPSRNQDGNR-LBPRGKRZSA-N 440.418 5.034 30 20 IKED C#CC[C@H](NC(=O)N(C)[C@H]1CCSc2ccc(Br)cc21)c1ccccc1 757777768 ILYYJWKQSDZKFR-OALUTQOASA-N 429.383 5.392 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cncc(-c3ccc(OC)cc3)c2)cc1 757874812 LJMHBHJWHOWUOJ-DEOSSOPVSA-N 427.504 5.061 30 20 IKED CC(C)(C)n1cc(C(=O)Nc2ccc(F)cc2OCC#N)c(-c2ccccc2Cl)n1 760797766 WYKUWJXQIFSEOK-UHFFFAOYSA-N 426.879 5.252 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 763264746 GGLRNWXYCZRTEU-INIZCTEOSA-N 439.560 5.022 30 20 IKED C=CCn1c(-c2cccs2)nn(CN2CCC[C@H](c3nc4ccccc4o3)C2)c1=S 764886710 ROSOXNNDJRCBLJ-INIZCTEOSA-N 437.594 5.307 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)c1ccc(Br)cc1 766623480 ROCTXTUVNLCTDN-KUHUBIRLSA-N 427.342 5.025 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1ccc(C)cc1 768401394 FBRCPCSKLSDMNM-FQEVSTJZSA-N 445.592 5.175 30 20 IKED N#Cc1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)c(Cl)c1 769730731 NIHQMLDOEYGODW-UHFFFAOYSA-N 426.122 6.095 30 20 IKED N#Cc1cc(N[C@@H]2CCc3c(Cl)cc(Br)cc32)ccc1N1CCC(O)CC1 777117374 YKDGESABMMVCGR-HXUWFJFHSA-N 446.776 5.035 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(C(C)(C)C)cc1)[n+]1c(C)ccc(O)c1Cl 777511254 WOWMILQAPDSFMP-UHFFFAOYSA-O 432.009 5.316 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21 779710203 XOPUOKZUFGORLX-JOCHJYFZSA-N 434.540 5.124 30 20 IKED O=[N+]([O-])c1cccc(-c2nc(C=NOCc3ccc(F)cc3Br)cs2)c1 780283102 UYNXEIVKYPZBLT-UHFFFAOYSA-N 436.262 5.171 30 20 IKED CC[C@@H](C#N)SC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccc(OC(F)F)cc1 780329967 PJMXCDYMETVJEO-IZILLXMLSA-N 443.475 5.076 30 20 IKED N#CCC1CCN(Cn2nc(-c3ccccc3Cl)n(-c3ccccc3F)c2=S)CC1 781572485 QOOULAPUCLIBKT-UHFFFAOYSA-N 441.963 5.446 30 20 IKED CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 782698668 YJJDKJNTCQQCLQ-UHFFFAOYSA-N 448.958 5.052 30 20 IKED C[C@@H](CC(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1c[nH]c2ccccc12 786277787 WNRRVVPRTVTOIS-BBRMVZONSA-N 430.533 5.127 30 20 IKED CC(C)c1ccc(C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 787050494 DNLMLDDHNIFAPH-YVEFUNNKSA-N 448.306 5.225 30 20 IKED C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 790208822 UCCXZCMTZUGLHT-SFHVURJKSA-N 441.487 5.140 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 796628616 LCOHOJKDLKDHNX-KSZLIROESA-N 426.394 5.070 30 20 IKED CC(C)(C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1[N+](=O)[O-] 796809050 UVJGHKAAZXQKON-LBPRGKRZSA-N 427.432 5.151 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(CCc2ccccn2)Cc2ccncc2)cc1 798009001 YPZRBDURYDMNPB-MHZLTWQESA-N 447.542 5.409 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc(C#N)c(OC)c1)C(=O)c1ccccc1 799494059 ANHBRODZTQZJKA-JLPGSUDCSA-N 438.527 5.597 30 20 IKED Cc1ccc(CN(Cc2ccco2)C(=S)Nc2ccccc2C#N)c(Br)c1 799514339 FZFPZJNFKSFXCY-UHFFFAOYSA-N 440.366 5.621 30 20 IKED C[C@@H](OC(=O)C1CCN(CC(F)F)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 805881786 IXDWRGQAYORQPH-SNVBAGLBSA-N 433.339 5.306 30 20 IKED CC1(C(=O)OCc2cnc(-c3cccs3)o2)CCN(c2ccc(Cl)cc2C#N)CC1 805886392 WQFONVUYOSHCDH-UHFFFAOYSA-N 441.940 5.278 30 20 IKED O=C1C[C@H](C(=O)O[C@H](c2ccc(C(F)(F)F)cc2)C(F)(F)F)c2ccc(F)cc2N1 809128259 RDLDGTPWBPCIDG-XJKSGUPXSA-N 435.295 5.117 30 20 IKED N#C[C@H](C(=O)Cc1cccc(OCc2cccc(Cl)c2)c1)c1cc(C(F)(F)F)ccn1 813215346 XBXBELCVMRDARF-FQEVSTJZSA-N 444.840 5.752 30 20 IKED CC(=NNc1ncccc1[N+](=O)[O-])c1sc(-c2ccccc2Br)nc1C 814870547 HVKCHXOVANSJKQ-UHFFFAOYSA-N 432.303 5.020 30 20 IKED C=CCOc1ccc(/C=C\C(=O)O[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)cc1OC 853716442 URYFMBZZTFEADU-SECOEOQKSA-N 443.927 5.114 30 20 IKED CN(Cc1ccc(C#N)cc1)Cn1nc(-c2cccs2)n(Cc2ccccc2)c1=S 914783338 WRBMRAIMLNGFMP-UHFFFAOYSA-N 431.590 5.152 30 20 IKED CC(=O)N[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccc(C)cc1 915102158 SNUJIDPANLEIMD-UXHICEINSA-N 437.952 5.216 30 20 IKED Clc1ccc(CSc2nncn2N=C/C(Br)=C\c2ccccc2)cc1 916546541 XIPGHJNVNWNDLS-DBBYTEAZSA-N 433.762 5.494 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccco3)Cc3ccccc3O)cn2)c1 916681136 UKKQOIJMHRCTNS-UHFFFAOYSA-N 440.459 5.278 30 20 IKED C[C@@H](Oc1cccc(Cl)c1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916907590 YVLNHKKIBSQHHI-UZLBHIALSA-N 434.879 5.247 30 20 IKED N#C[C@H](C(=O)CSCc1coc(-c2ccccc2)n1)c1nc(-c2ccccc2)cs1 917027041 UODWZPHFXWSJCX-LJQANCHMSA-N 431.542 5.575 30 20 IKED N#C[C@@H]1C(CN2CCC[C@H]2c2ccc(Cl)c(Cl)c2)=CC(=O)n2c1nc1ccccc12 917153428 YJGVYIWYFPXMOZ-UZLBHIALSA-N 437.330 5.368 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1/C=C\C(=O)c1ccc(OCc2nccn2C)cc1 917517579 IXCAKDPEVGKDMW-SEYXRHQNSA-N 446.938 5.351 30 20 IKED C=CCOc1cccc(NC(=O)/C=C/c2ccc(OCc3c(C)noc3C)c(OC)c2)c1 919873358 OLHPIJKFMAFEMJ-ZRDIBKRKSA-N 434.492 5.096 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccc(Cl)cc3Cl)n2)cc1 920142251 UGUPBHBCIGKANK-KRWDZBQOSA-N 426.328 5.798 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(F)c(Br)c3)n2)cc1 920143403 WLBNMVVBPUTINW-HNNXBMFYSA-N 440.297 5.002 30 20 IKED C/C=C\c1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(OC)c1 920804530 TZMGPKJDLXIRLZ-UYWPIULCSA-N 440.471 5.385 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(Cc3ccc(F)cc3)n2)cc1 920874951 HZGIMMRQYFGMFB-KSFYIVLOSA-N 449.551 5.277 30 20 IKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cccs2)cc1 1115953205 QILLYKDLFSWVPB-UHFFFAOYSA-O 426.974 5.446 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)cc(F)c4)CCC3)cc2)cc1 1790707817 PYBWKARSOPBWNA-UHFFFAOYSA-N 445.469 5.092 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)cc4F)cc3)CCC2)C1 1790795500 JWASWTYYUIQYQT-UHFFFAOYSA-N 436.527 5.327 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cccc4nscc34)cc2)CCC1 1790941341 RZSRSNVTZRGNKV-UHFFFAOYSA-N 449.576 5.027 30 20 IKED CC(C)Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@@H](C)C#N)c2)C3)cc1 1800648020 QYUGQXOYIXOVCZ-XSGUUIGASA-N 443.591 5.078 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2c1oc1ccccc12 1801203197 OMGSNNHVURSWEP-ACDBMABISA-N 444.575 5.830 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C23CCC(CC2)CC3)[C@@H]1c1cccnc1 1802501110 HCMLQZYBWDDIAS-RDQXJMKESA-N 437.628 5.050 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC)cc2C)[nH]n1 1814441657 PJVBYJWVRDXJRY-NRFANRHFSA-N 438.572 5.025 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCC(F)(F)CC2)CC1 1824137638 LSTJOSBYNPFRLB-JOCHJYFZSA-N 436.587 5.200 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2Cl)CC1 1824143130 HYWPVTWYVQRWJD-HSZRJFAPSA-N 429.004 5.342 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2OCC)CC1 1829925550 QWTZBMHRZZOAPN-UPVQGACJSA-N 438.612 5.087 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)nc2)CC1 1831375547 ZTURHXUNBWGTKV-QFQXNSOFSA-N 445.607 5.194 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(C)(C)C)oc2C)CC1 1832029136 ULODDTMJQMFMBM-HSZRJFAPSA-N 440.628 5.312 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cc(C)cc(C)c2)cc1 10172655 ZZUCGBNWQCEQIU-UHFFFAOYSA-O 429.609 5.693 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(F)cc2F)cc1 11248132 MQMNIQWZABRGIX-UHFFFAOYSA-O 447.477 5.534 30 20 IKED COc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2ccccc2)cc1 20834524 OQVMHQLLDLXIKI-UHFFFAOYSA-O 432.352 5.340 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)=C(/S)Nc1ccc(C)cc1 22730960 PHFOTKJMTONYKX-UHFFFAOYSA-O 434.541 5.112 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccccc1CC 22732069 BWVUUOWTAMUUEM-UHFFFAOYSA-O 448.568 5.366 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3cccs3)no2)nc2sc(C)c(C)c2c1=O 26022666 DGSDDAVNKUPLQC-LBPRGKRZSA-N 430.580 5.226 30 20 IKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(-c3cccc(Cl)c3)o2)ccc1Cl 29440873 AJRMJDVPABFAPN-UHFFFAOYSA-N 447.347 5.391 30 20 IKED C=CCn1c(-c2sc(NC(=O)COc3ccccc3[C@@H](C)CC)nc2C)n[nH]c1=S 29650681 FGMFEHRCDISMQJ-ZDUSSCGKSA-N 443.598 5.090 30 20 IKED C=CCn1c(S[C@H](C)C(=O)NC[C@H](C)c2ccccc2)nnc1-c1ccc(Cl)cc1 36627083 FGCGDJPAOLKUGB-DLBZAZTESA-N 441.000 5.185 30 20 IKED Cc1nc(Cc2ccccc2)sc1C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 58499391 NTIAHZCDAPQDKQ-UHFFFAOYSA-N 429.467 5.119 30 20 IKED N#CCCCOc1cccc(Nc2nc(-c3cnccn3)nc3sc4c(c23)CCCC4)c1 60860479 DHJBVWLRYYMZEF-UHFFFAOYSA-N 442.548 5.453 30 20 IKED N#CCCN(C(=O)CCC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 110940679 AUVIZVXNYJFBNB-SANMLTNESA-N 445.950 5.273 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(CSc3nc(C)cs3)cc2)cc1 111184646 XTNVQNAJECBENX-UHFFFAOYSA-N 437.590 5.703 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 116156311 PQVUILQHZNKHLG-XMMPIXPASA-N 439.559 5.182 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCCN(c3ccccc3)CC2)cc1 195547223 CPVZJXLXELLTMT-UHFFFAOYSA-N 440.547 5.076 30 20 IKED N#Cc1ccc(Sc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)c([N+](=O)[O-])c1 301078687 IIJCLJSGNMZNRD-UHFFFAOYSA-N 437.868 5.171 30 20 IKED N#Cc1ccc(NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c(C(F)(F)F)c1 302408966 MIXHPNMGFZKWOG-UHFFFAOYSA-N 441.375 5.313 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)c1sc(-c2ccc(C)cc2)nc1C 303315635 SCVOYOHTEKTMIU-QGZVFWFLSA-N 449.576 5.344 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 303747076 ATSCOOUSVHVGMU-UHFFFAOYSA-N 432.442 5.195 30 20 IKED COc1cc(CCNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)ccc1C 303950760 ZCWBCGGXCJLJDV-UHFFFAOYSA-N 429.520 5.013 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 426095731 HEGOUAJDYFGVMT-UHFFFAOYSA-N 430.439 5.707 30 20 IKED CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1cccc(SCC#N)c1 429830654 SDBCOIPCVNUNDS-UHFFFAOYSA-N 444.585 5.489 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2CCC(NC(=O)C(C)(C)C)CC2)cc1 433384011 CGMUWNXHNRLUBE-UHFFFAOYSA-N 449.551 5.019 30 20 IKED C=CCC[C@H](NC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccccc1 435761599 GJQYHCYFWVYBHB-IRLDBZIGSA-N 434.515 5.472 30 20 IKED Cc1cnc([C@@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C2CC2)s1 437997061 LEBBXLDHVTXGGC-NRFANRHFSA-N 436.512 5.314 30 20 IKED CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 438209716 DONSJQXENKDHPZ-QHCPKHFHSA-N 440.547 5.336 30 20 IKED C=CCn1c(SCC(=O)Nc2ccsc2Cl)nnc1-c1ccc(Cl)cc1 438567382 CZTJPWRCMJCGEK-UHFFFAOYSA-N 425.366 5.230 30 20 IKED CC[C@@H](c1nnc(SCc2ccc(C#N)cc2Cl)n1-c1ccc(OC)cc1)N(C)C 438818025 GYGJMARLBXGORT-FQEVSTJZSA-N 441.988 5.106 30 20 IKED C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 439350809 CTZDWBOPYQALSP-BBXSYUKCSA-N 447.579 5.125 30 20 IKED Cc1c(Cl)cc(F)c(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1F 439394500 GLZWLMKLXFXZKI-UHFFFAOYSA-N 441.821 5.168 30 20 IKED CCc1c(C)sc(NC(=O)[C@H]2CCO[C@@H]2c2c(C)nn(-c3ccccc3)c2C)c1C#N 440481057 YGAGRFJENFFCSZ-UGKGYDQZSA-N 434.565 5.009 30 20 IKED Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 441268269 KMDAYGHWWVSQMY-VCOUNFBDSA-N 435.593 5.123 30 20 IKED C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 441396636 CSVPCZNIKFXGAX-IKGGRYGDSA-N 444.000 5.181 30 20 IKED N#Cc1ccc(-c2nnc(CN[C@@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)o2)cc1 444740402 XLEUFGQQSKBKFB-INIZCTEOSA-N 440.347 5.410 30 20 IKED C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)c1cccs1 460566186 JXTVKGXYMSDWGI-KRWDZBQOSA-N 448.596 5.071 30 20 IKED C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1ccc(COC)o1 460957729 GFOLCBGVWMEECA-FQEVSTJZSA-N 442.947 5.168 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2oc(-c3ccccc3)nc2C)cc1 461994286 WILFFZXYYGGNRP-UHFFFAOYSA-N 425.444 5.575 30 20 IKED O=C(Cc1ccccc1C(F)(F)F)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 464731697 WHMSPPNSKZCBOR-UHFFFAOYSA-N 431.311 5.230 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc(-c2ccccc2OC)cc1 466088072 SKLXPGLKQRLERR-LJQANCHMSA-N 445.519 5.729 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)cc1 468978896 NCZREYPZMMNBDL-UHFFFAOYSA-N 437.474 5.099 30 20 IKED Cn1cc(Nc2cccc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)c2)cn1 469083693 VFIHEEIEODGTPH-UHFFFAOYSA-N 427.439 5.219 30 20 IKED O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1cccc(-n2ccc(C(F)(F)F)n2)c1 471140678 QLZICOKBLVWHEM-UHFFFAOYSA-N 447.310 5.224 30 20 IKED Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(Br)s1 471274229 UYOMIZGZRBQIMO-UHFFFAOYSA-N 449.317 6.096 30 20 IKED C[C@H](NC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)c1ccc(C#N)cc1 471952177 GXGQTVQVJGRLGA-HNNXBMFYSA-N 432.351 5.317 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 475562790 HOKHQXXQERMJNW-HXUWFJFHSA-N 429.564 6.395 30 20 IKED N#Cc1cc(Cl)ccc1CN[C@H](Cc1ccccn1)c1ccc(Br)cc1 475743491 ZOCDMOMLGFTNBG-OAQYLSRUSA-N 426.745 5.443 30 20 IKED N#CCC[C@H](NC(=O)NCc1ccc(Br)cc1C(F)(F)F)c1ccccc1 481619194 BKYFAMFTKJOVKB-KRWDZBQOSA-N 440.263 5.312 30 20 IKED N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 481913487 GCRVIKNIPYIUSY-XZOQPEGZSA-N 441.497 5.298 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C 483553538 XIDJWAUHZDXJHO-UHFFFAOYSA-N 432.981 5.190 30 20 IKED CO[C@H](C)c1nc(C)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)s1 487294430 AYBFKBJBHRAVEA-CQSZACIVSA-N 425.485 5.001 30 20 IKED C[C@@H](Oc1ccccc1F)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 487353241 NMJPETUDWPAEOF-GFCCVEGCSA-N 449.429 5.169 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)c1ccc(OCc2cccc(C)c2)cc1 492704412 OGLCWRHEQLCPBJ-NRFANRHFSA-N 448.563 5.508 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@@H](CO)c1cccc(Br)c1 499894123 KRZGLKVUUNTUQK-KSSFIOAISA-N 448.386 5.041 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1 502331023 GQDRIHUGAQHECG-UHFFFAOYSA-N 427.936 5.282 30 20 IKED C[C@@H](NC(=O)N1CCC(F)(C#N)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 503104276 LSYSOJHCDOFLRF-CYBMUJFWSA-N 425.451 5.532 30 20 IKED Cc1ccc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1NC(=O)Nc1ccccc1 504014021 SEAXWTWXBLVLMI-UHFFFAOYSA-N 436.515 5.440 30 20 IKED N#C[C@@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)c1cccc(Cl)c1Cl 505325322 HQCNDSFFHAZTDP-MRXNPFEDSA-N 436.751 5.694 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccccc2OC[C@H]2CCCO2)cc1 505686190 LZSREEFHDQOZCM-OAQYLSRUSA-N 444.487 5.169 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2cccc(C)c2)cc1 508264335 AKSUJRYZUJVPDT-QHCPKHFHSA-N 427.504 6.037 30 20 IKED CN(C)Cc1cnc(CNc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)s1 508452223 MNJPLBBUOXDAAG-UHFFFAOYSA-N 432.471 5.500 30 20 IKED C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1nc(C(F)(F)F)cs1 508491805 HSAAHFRSOBWFLA-UHFFFAOYSA-N 444.486 5.099 30 20 IKED C=CCn1c(S[C@H](C)c2nnnn2-c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 509612329 BMIFUOHFSAYPGS-QGZVFWFLSA-N 445.596 5.258 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)cc1 509674535 ZOOTXZMDUSJBQT-UHFFFAOYSA-N 441.487 5.033 30 20 IKED COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1-c1ccnn1C 509899411 LJAVZDYNUYNXEE-SFHVURJKSA-N 448.935 5.363 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C1CC1)[C@H](C)c1ccc2ccccc2c1 509911748 QAOGIZZFONEAJG-GOSISDBHSA-N 437.547 5.056 30 20 IKED CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)o1 509949413 RRQCYIKAXQEBDG-IVZQSRNASA-N 446.642 5.096 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCc1cnn(-c2ccccc2)c1 510490048 KMQRZBDIYFDUBT-UHFFFAOYSA-N 437.503 5.209 30 20 IKED C=CCOc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)c1 517731452 KBDTUJYQBBAQRZ-UHFFFAOYSA-N 432.545 5.543 30 20 IKED C=CCn1c(SCc2nnc(C3CC3)o2)nc2sc(-c3ccccc3)c(C)c2c1=O 518480709 ICGXNYOSGDHVST-UHFFFAOYSA-N 436.562 5.172 30 20 IKED C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 518905368 UXUWMHRKKLEJDF-RDPSFJRHSA-N 425.532 5.110 30 20 IKED COc1ccccc1[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1 520941380 LRBRLWWYKJVLMU-UUOWRZLLSA-N 431.561 6.001 30 20 IKED C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 522432931 GVBFFEZGEDFQOT-DNVCBOLYSA-N 435.578 5.112 30 20 IKED C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 522844183 JEJKPRGZTGTHNE-NHCUHLMSSA-N 432.568 5.469 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c1C 524958403 MRARJMWEWMRHES-MOPGFXCFSA-N 440.425 5.002 30 20 IKED N#Cc1cccc(-c2nnc(CSc3nccn3-c3ccc(C(F)(F)F)cc3)o2)c1 525630771 HPJKRBQENKTHDE-UHFFFAOYSA-N 427.411 5.105 30 20 IKED C=C[C@H](CC(=O)NC[C@@H]1CCCN(C(=O)C[C@@H](C=C)c2ccccc2)C1)c1ccccc1 535377873 FGHKWAZYVNDPRW-RBZQAINGSA-N 430.592 5.061 30 20 IKED C=CCN(C(=O)c1cccc(=O)n1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 537709123 DLVZCCHEYGCNNN-UHFFFAOYSA-N 427.529 5.009 30 20 IKED CCOc1ccc([C@@H]2CCCN2C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc1 541099768 ZRMFPCMCYDEUJB-FQEVSTJZSA-N 435.915 5.165 30 20 IKED CN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 541660965 VKCVBBOJRIBBLN-CPJSRVTESA-N 448.469 5.621 30 20 IKED Cc1cnc([C@@H](C)CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)s1 541749864 VCGXSNHNIJEAHR-AWEZNQCLSA-N 440.956 5.481 30 20 IKED CCN(Cc1ccc(OC)c(OC)c1)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542085642 MFLIEHRVOQNCHY-IBGZPJMESA-N 443.547 5.535 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(C)n([C@H](C)C2CC2)n1 542386473 CXVJFMYPCVHEFC-CQSZACIVSA-N 435.341 5.284 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 543152408 NAINITCUMQOOLR-GFCCVEGCSA-N 439.415 5.025 30 20 IKED CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)N1CCC(CC#N)CC1 543828177 NMDILTZDLKAEAK-UHFFFAOYSA-N 431.945 5.403 30 20 IKED C=CCNC(=O)c1cccc(-c2noc(/C=C/c3ccc(Oc4cccnc4)c(F)c3)n2)c1 547064069 ZVRQYTXDWCRFLL-PKNBQFBNSA-N 442.450 5.149 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 549202360 LXSIVFYMQCDMIE-CYBMUJFWSA-N 436.459 5.473 30 20 IKED Cc1ccc(-n2nc(C)c(CC(=O)Nc3cc(C#N)ccc3OC(F)F)c2C)cc1Cl 551673477 KZTDXBJXVXXUFX-UHFFFAOYSA-N 444.869 5.105 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)[C@H]2CCC[C@H]2C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 555904201 AZALUVAWBXRELB-ZRZAMGCNSA-N 442.563 5.282 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 558298185 FJUSCJMARBNYRP-UHFFFAOYSA-N 444.429 5.277 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3cccs3)[C@@H]3C=C[C@H](CO)C3)cc2)cc1 558307397 XECGACIDWFTMDI-PZJWPPBQSA-N 445.544 5.383 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 558753931 OPKTTYIJYYJQIP-UHFFFAOYSA-N 443.812 5.557 30 20 IKED COc1ccncc1CN[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 561854427 FQVQHQGXBYKTGJ-CQSZACIVSA-N 432.286 5.521 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3cc(F)ccc3SCC(F)F)CC2)cc1 564354308 FDNWUIYMVQIHRO-UHFFFAOYSA-N 435.471 5.130 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccc(Oc3cccnc3)cc2)CC1 566527235 SCBOMXCIVMCONO-UHFFFAOYSA-N 428.492 5.257 30 20 IKED N#Cc1ccc(-c2nnc(N3CCC(OCC4CCCC4)CC3)n2Cc2ccccc2)cc1 572101518 KYOMGXJMJMCEBX-UHFFFAOYSA-N 441.579 5.041 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N3CCC(c4noc5cc(F)ccc45)CC3)c2)cc1 574563613 MQBHHCTYCCRBKP-UHFFFAOYSA-N 440.478 5.602 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CC=C(c4cccc(Cl)c4)CC3)cc2)ccn1 575099077 FQTOBNZPLWDUCY-UHFFFAOYSA-N 430.895 5.720 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 575349154 RIVOAVAHEVTGOX-UHFFFAOYSA-N 443.506 5.260 30 20 IKED O=C(Nc1cc(F)c(OC(F)F)cc1F)c1ccc(C(F)(F)F)cc1N1CCCC1 577022709 QUMZRFRDCYAMSG-UHFFFAOYSA-N 436.327 5.438 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)CCC(=O)N1CCSc2ccccc21 579460652 IKHJJQCDVLULFG-UHFFFAOYSA-N 441.556 5.011 30 20 IKED C=CCn1c(S[C@@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)nnc1-c1ccc(C)cc1 579498520 YIWPAKSFUKIWJZ-LAUBAEHRSA-N 436.556 5.033 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 590327983 CBMPUTNMYQJAQF-IUCAKERBSA-N 426.254 5.439 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)nnn1-c1ccc(-c2ccccc2)cc1 595869818 XEOSMBLVMHRHDR-QHCPKHFHSA-N 429.483 5.281 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)Cc3ccc(F)c(Br)c3)c2)c1 603941767 KBMHHDAONSHXJD-UHFFFAOYSA-N 439.284 5.220 30 20 IKED C=CCN(C(=O)c1cc2cc(Cl)ccc2o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 604561950 OKUVAFZKZJWWRC-UHFFFAOYSA-N 439.880 5.951 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 608840961 ROTYUZVIPLDJGR-KRWDZBQOSA-N 449.942 5.603 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3ncccc3OCCCC#N)cc(-c3ccccc3)nc21 608868773 NDWFNSDEJNQNKB-UHFFFAOYSA-N 440.507 5.009 30 20 IKED Cc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c(OC[C@@H]2CCCO2)c1 609298035 AAGHJNLRTRMECX-FQEVSTJZSA-N 446.478 5.608 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 609377709 ZXNZSODZYWOFRS-JKSUJKDBSA-N 448.514 5.207 30 20 IKED CCN(C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H](C)c1cc2ccccc2o1 609403242 GFHQLBOCOJWJPK-IRXDYDNUSA-N 435.549 5.233 30 20 IKED CCOc1ccc([C@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccc2)cc1 609434629 DIGMDGKGWCPPNS-KBMIEXCESA-N 445.588 6.391 30 20 IKED CCOc1ccc([C@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1OCC 609496854 LJDLKVHKFNIQNM-KRWDZBQOSA-N 431.492 5.034 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CSc4ccccc43)s2)c(C(F)(F)F)c1 609814781 CXUFLQOGQZJWMO-MRXNPFEDSA-N 445.491 5.452 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N(Cc3ccccc3)CC3CCC3)c2)cc1 609942387 BPSDWSZCAICVNO-UHFFFAOYSA-N 439.515 5.118 30 20 IKED COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)N[C@H](CCC#N)c2ccccc2)cc1 610987229 BDKXVFCAHJOWQS-AREMUKBSSA-N 443.547 5.461 30 20 IKED Cc1cccc(C(=O)Nc2ccccc2C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1 613401676 KWGODSFGIBPMJG-GOSISDBHSA-N 444.441 5.482 30 20 IKED N#CCCCN1C(=O)CCc2cc(NCc3cn(Cc4ccccc4)c4ccccc34)ccc21 615728615 AQFNCLFJVDWBDB-UHFFFAOYSA-N 448.570 5.885 30 20 IKED C[C@H](NC(=O)NCc1cc(F)c(C(F)(F)F)cc1F)c1nc2ccccc2n1C(F)F 672353447 PJULUSQMUDTZCZ-VIFPVBQESA-N 448.342 5.289 30 20 IKED O=C(Nc1ccc(CCC(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 674679475 DSFJNGAUVASNJS-TXEJJXNPSA-N 436.318 5.776 30 20 IKED C=C(C)[C@@H](CC(=O)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1)OCC 677304906 FNDXYKAKMSPSDP-BJKOFHAPSA-N 441.616 5.073 30 20 IKED CN(Cc1cc(Cl)ccc1F)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 683414183 GQILQZAUPPLZGM-QWRGUYRKSA-N 434.783 5.530 30 20 IKED CC(C)(C)c1nc(CC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cs1 726858847 VTCIREIBDGFBKP-SFHVURJKSA-N 433.533 5.123 30 20 IKED C[C@H](Oc1ccccc1C(F)(F)F)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 727232454 KSWINUJCHJFTKL-XJKSGUPXSA-N 441.434 5.344 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2Cl)c1 727999093 KNKPFWODBYWPHT-UHFFFAOYSA-N 430.847 5.149 30 20 IKED N#Cc1cccc(COc2ccc(NC(=S)Nc3ccc(OC(F)F)cc3)cc2F)c1 728174872 AWCUUDGHIZGAFC-UHFFFAOYSA-N 443.450 5.687 30 20 IKED Cn1c(Cl)nc(Cl)c1/C=C\C(=O)c1ccc(Br)cc1Br 728437410 BTPHSKPLTUUQBJ-PLNGDYQASA-N 438.934 5.148 30 20 IKED Cc1ncccc1/C=C1/CN(Cc2c(F)cccc2Cl)C/C(=C/c2cccnc2C)C1=O 728786926 AJQRRAURWSXQMB-HDSGJDLKSA-N 447.941 5.438 30 20 IKED CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)NCc1ccc(OCC#N)cc1 729052793 XCQNTRDAHAVCEY-UHFFFAOYSA-N 437.540 5.577 30 20 IKED CC[C@@H](C)n1c(-c2ccccc2)nn(CN2CCC(Oc3cccc(C#N)c3)CC2)c1=S 729467258 WQYNMCQCINVAGM-LJQANCHMSA-N 447.608 5.425 30 20 IKED N#Cc1c(NC(=O)c2sc3cc(Br)ccc3c2Cl)sc2c1CCC2 729825393 UGLMQMOTZKFRBW-UHFFFAOYSA-N 437.771 5.991 30 20 IKED Cc1ccc(C(=O)N[C@H](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)c2ccccc2)cc1 729889877 FKUCKXJPBMXTJX-IFMALSPDSA-N 439.540 5.342 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)[C@H](C#N)c1nc2ccccc2s1)c1ccccc1 729890866 SPDFOEZTJOKTHH-ROUUACIJSA-N 435.549 5.519 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccccc2)cc1 731063649 RLOWJQWVKQYUSF-GOSISDBHSA-N 430.529 5.401 30 20 IKED C[C@@H]1CCc2c(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)csc2C1 731064028 OPLATNPHHSYESV-HUUCEWRRSA-N 428.579 5.063 30 20 IKED CC(C)c1ccc(C2(C(=O)OCC(=O)Nc3ccccc3SCC#N)CCCC2)cc1 731092778 HBOMJZJZRBBFKD-UHFFFAOYSA-N 436.577 5.419 30 20 IKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nnn1-c1ccc2ncccc2c1 731327191 ZDQARAYQKNIRKH-DEOSSOPVSA-N 444.498 5.032 30 20 IKED C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 731399914 IKGMJJDFNBIOKK-SQNIBIBYSA-N 446.617 5.238 30 20 IKED Cc1ccc(-c2nnc(CON=C(Cc3nc4ccccc4n3C)c3ccccc3)o2)cc1 731664295 IBXVVXVFPXVXRP-UHFFFAOYSA-N 437.503 5.095 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1sc2cc(C(C)C)ccc2c1Cl 732708922 UUMGYBAVGDGQEK-MRXNPFEDSA-N 440.952 6.038 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc3nc(C(C)C)sc3c2)ccc1OC 733628314 VYQRCILEWLWRSC-KRWDZBQOSA-N 438.553 5.431 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccccc2Oc2cccc(F)c2)c1 733803523 ZDNBNOWUOBURNQ-NRFANRHFSA-N 433.483 5.298 30 20 IKED Cc1ccc(-c2ncc(C=Nn3c(S)nnc3-c3ccc(Cl)cc3Cl)s2)cc1 734294685 GDZXDSCCHKYEDR-UHFFFAOYSA-N 446.388 5.855 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)c1 734656465 YNWFHPDZICWCDV-SIKLNZKXSA-N 429.520 5.829 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(c2c(C#N)cnc3c(F)ccc(F)c23)CC1 742398124 QKGCWXZQOZBTKU-LJQANCHMSA-N 442.510 5.001 30 20 IKED N#C[C@H](C(=O)c1cccc(CSc2c(Cl)cccc2Cl)c1)C(=O)N1CCCC1 744023926 MOLVAVGRYKMXJP-MRXNPFEDSA-N 433.360 5.231 30 20 IKED C[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccc(-c2ccncc2)cc1 746423492 WCXVHBCJDOXRCA-SFHVURJKSA-N 438.556 5.909 30 20 IKED CN(C(=O)NCc1cc(C#N)ccc1F)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 748963665 HVTKJWULJCXJCB-JOCHJYFZSA-N 425.866 5.421 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2oc3ccc(OC)cc3c2C)cc1C#N 752306131 UWRWRNXODFVOMH-AWEZNQCLSA-N 436.468 5.073 30 20 IKED CCN(CC)[C@@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1 755639461 IWRDQTNVPVNZDJ-HRAATJIYSA-N 425.504 5.348 30 20 IKED CCOc1ccc(C=NO[C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1OC 757616949 WFMGYEWBFDHRRV-LBPRGKRZSA-N 436.295 5.562 30 20 IKED CCS[C@@H](C)c1noc(CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)n1 764614971 IUAHEACWYBAWER-AWEZNQCLSA-N 428.945 5.600 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc(F)c(C#N)c1)C(=O)c1ccccc1 770570976 MDHYAUUXHNKZAD-KQWNVCNZSA-N 426.491 5.727 30 20 IKED COCCc1nc(C)c([C@H](C)OC(=O)c2cccc(COc3ccc(C#N)cc3)c2)s1 773925009 ZUZSTLHSHVPUPR-KRWDZBQOSA-N 436.533 5.009 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)c1ccccc1 777298514 YXWVYBFSJPKJQW-UXHICEINSA-N 447.560 5.642 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 777877325 XKXVSWNALZIHGX-AWEZNQCLSA-N 427.426 5.310 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 780402816 MQVZXBIDNYSYGB-ZDUSSCGKSA-N 436.377 5.559 30 20 IKED CC(=O)Nc1cc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(F)cc1F 782564763 DKEVMLFPJNPNGQ-AWEZNQCLSA-N 434.446 5.345 30 20 IKED Oc1cc(OCc2ccccc2)ccc1C=Nn1c(S)nnc1CSc1ccccc1 783863036 WOOFLIHHZCLAMM-UHFFFAOYSA-N 448.573 5.026 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(=C2C(=O)Nc3cc(Cl)ccc32)CC1 789455218 CBTOJXLFQBYHGM-UHFFFAOYSA-N 449.982 6.226 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 790965257 KOSUIBNIQOVHKE-GOSISDBHSA-N 448.350 5.654 30 20 IKED CCCc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc(C)cc2)cc1 797800187 TVVMWGIBXIBNPX-UHFFFAOYSA-O 448.999 6.083 30 20 IKED COC(=O)[C@H]1CC[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1 797943697 UFUMBBMTNRFIKI-LALPHHSUSA-N 437.348 5.273 30 20 IKED C=CCSc1ccccc1NC(=O)COC(=O)c1csc(-c2ccc(Cl)cc2)n1 805603634 MBZUUNPOHPENEA-UHFFFAOYSA-N 444.965 5.537 30 20 IKED CC(=O)c1oc2cc(C)ccc2c1CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 805863995 CXBIAVUKHWOROC-FQEVSTJZSA-N 439.496 5.358 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2c3ccccc3CC23CCOCC3)cc1 810158882 VUSPYYLSZORLCH-FTJBHMTQSA-N 437.543 5.558 30 20 IKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)SC1=NC(=O)/C(=C/c2csc3ccccc23)S1 814772478 BPEFOWMAJVOUMU-ICBYRSKWSA-N 443.619 5.048 30 20 IKED C[C@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1ccc(N2CCCOC2=O)cc1 817290268 DYPASLNFSUWUBH-SFHVURJKSA-N 440.503 5.140 30 20 IKED Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)C2)cc1 915086956 YQFCCOIEMHCLKP-AHWVRZQESA-N 437.543 5.141 30 20 IKED C=CCOc1ccccc1CN(C(=O)CCc1nc(C(C)C)no1)c1ccc(C)c(C)c1 915139227 VXDAWWSTCZJXTL-UHFFFAOYSA-N 433.552 5.541 30 20 IKED Cc1ccc(COc2ccc(C=Nn3cnc4sc5c(c4c3=O)CCCC5)cc2)cc1 916287769 NZHUNZMDFOAKPC-UHFFFAOYSA-N 429.545 5.106 30 20 IKED N#C[C@@H](C(=O)/C=C/c1nc2ccccc2s1)C(=O)Nc1ccccc1Oc1ccccc1 916907176 WUPOJEDUXLMVMS-JJJPLKNQSA-N 439.496 5.449 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(COc2ccc(F)cc2)o1 916916037 UCRCTYQFYCUUPG-OAQYLSRUSA-N 428.419 5.112 30 20 IKED N#C[C@H](C(=O)COc1ccc(Cl)c2ccccc12)C(=O)Nc1ccc(Cl)cc1Cl 916928725 RXKWVKDCPQGOIK-OAHLLOKOSA-N 447.705 5.526 30 20 IKED N#C[C@H](C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1nc2cc(Cl)ccc2s1 917047039 PBMCUWOOPFCJQV-HRCADAONSA-N 449.988 6.486 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n2nc(C)cc2n1 917430864 FIXKIIREOIWWRH-CQSZACIVSA-N 442.331 5.267 30 20 IKED N#C[C@@H](C(=O)NCc1ccccc1)C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 918487512 OAEPFAVDFAGMDT-OAHLLOKOSA-N 429.328 5.361 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1OC 919870291 HAKJBRDOHGESHQ-SSVWKNEZSA-N 443.927 5.123 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(Cc3ccc(F)cc3)n2)cc1 920874953 HZGIMMRQYFGMFB-OPAMFIHVSA-N 449.551 5.277 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1csc(-c2cccc(Cl)c2)n1 926102964 GWSUUSIFHYQBCZ-CQSZACIVSA-N 446.981 5.285 30 20 IKED C[C@@H](SCc1nc(O)c2ccccc2n1)C(=O)Nc1sc(-c2ccccc2)cc1C#N 1125245819 XYLPXWFCRCEOSL-CQSZACIVSA-N 446.557 5.196 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccccc4)cc3)CCC2)cc1 1787781529 ICJIXCXHWKWICY-CXUHLZMHSA-N 435.527 5.214 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3nc4ccccc4[nH]3)cc2)CCC1 1788917885 PFEGEQRIHKJILF-FQEVSTJZSA-N 428.536 5.079 30 20 IKED CC[C@H]1CC[C@H](C(=O)NC2(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC2)CC1 1789578274 MGXKPRQVWBTCDD-PHVZFWDBSA-N 435.568 5.049 30 20 IKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1sc2ccccc2c1Cl 1797464549 KRWKKMAVHLUIIR-BTTYYORXSA-N 438.927 5.018 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C(C)=C/c2ccc(C)o2)[C@H]1c1cccnc1 1810409172 JFHFOQNPGVJPJL-HZHAZRMUSA-N 449.595 5.085 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2CCC(F)(F)CC2)[nH]n1 1814440330 QNFXXKOVFUZDMF-GOSISDBHSA-N 436.547 5.220 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3nscc23)[nH]n1 1819309310 RQYUJOPJMJJZPM-IERDGZPVSA-N 449.580 5.094 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)[nH]n1 1821922041 YFRMLBUYIHPMPC-JLTOFOAXSA-N 439.947 5.063 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2c[nH]c3cc(C)ccc23)n[nH]1 1823564933 CLKFTFHTEPRSRH-HAOAUZPGSA-N 445.567 5.117 30 20 IKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)s1 1825790692 MRPYTCJRLSYTJR-FDDCHVKYSA-N 449.620 5.231 30 20 IKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccoc2C)CC1)c1ccccc1 1829029617 DHESYPUETIEBCM-IZZNHLLZSA-N 446.591 5.019 30 20 IKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2-c2ccc(C)cc2)CC1 1830676440 UCXSGGCNBWPMDS-AREMUKBSSA-N 430.592 5.471 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 1831789488 ZWDZLSMWMOYWDX-SDHOMARFSA-N 436.640 5.402 30 20 IKED CC(C)(C)CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C#N)CCC2)CC1 1832788601 XVWGKSMKTKCAAF-QFIPXVFZSA-N 429.649 5.297 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2cccc(O)c2)cc1C 11161414 GUHNTRZRRXNKON-UHFFFAOYSA-O 433.597 5.645 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2ccc(C(C)C)cc2)cc1 11262673 NAVGSDWOQWWLOT-UHFFFAOYSA-O 431.625 6.328 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3cccs3)o2)nnc1-c1ccc(OC)cc1 17710171 CIGZYUMQRDPKQC-CYBMUJFWSA-N 425.539 5.105 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCSc3c(F)cccc32)cc1 57667326 LJPHBHWYSYDTPH-NRFANRHFSA-N 434.561 5.957 30 20 IKED Cc1ccc(-c2ncc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)s2)c(C)c1 61069807 DBFUSXYRAAWDRV-LJQANCHMSA-N 440.553 5.912 30 20 IKED N#Cc1c(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)sc2c1CCCC2 61111596 JUQYLFUHEDUALW-UHFFFAOYSA-N 448.400 6.110 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F 63641474 WGHYSXXIORMTKG-INIZCTEOSA-N 439.437 6.117 30 20 IKED Cc1[nH]c2ccc(CNC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc2c1C 65457726 ZBIUEIVTPQEIPV-UHFFFAOYSA-N 438.531 5.752 30 20 IKED Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 72108410 AYBMVWLVHCOLOR-CYBMUJFWSA-N 444.969 5.070 30 20 IKED Cc1ccc(CN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)Cc2ccco2)s1 303382885 MZRRRJSJPPDLDD-QGZVFWFLSA-N 439.606 5.542 30 20 IKED CCCNC(=O)c1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1Cl 303648150 SRHWHMXZRIZOIY-UHFFFAOYSA-N 447.922 5.183 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3c3c(F)cccc3Cl)c2)c1 303783812 HBSRBWUWBLCDEH-RBUKOAKNSA-N 433.870 5.345 30 20 IKED CCN(C(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl)[C@@H](C)c1ccc(C#N)cc1 303864391 HQNOEPMKLDLZMB-HNNXBMFYSA-N 426.948 5.355 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3ccc(-c4cc(F)c(F)c(F)c4)cc3)CC2)c1 304085709 WKBVBIPXGMEEIH-UHFFFAOYSA-N 436.433 5.326 30 20 IKED CC(C)CCN(CCC#N)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 428889446 WEIAAYDFBUYXBH-UHFFFAOYSA-N 438.425 5.825 30 20 IKED N#CCCC[C@H](NC(=O)NCc1cccc(NC(=O)C2CCCCC2)c1)c1ccccc1 431868347 NCUSCSGXEWMPQK-DEOSSOPVSA-N 432.568 5.440 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1cccc(OCC(F)(F)F)c1 432639882 BKEQTEZDQKOAEI-UHFFFAOYSA-N 441.409 5.176 30 20 IKED CC[C@@H](O)CN(Cc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 435667242 ILKATUVXLOVPRF-XMMPIXPASA-N 443.547 5.137 30 20 IKED C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 436387697 MPXFSNCJXOEHDS-HRAATJIYSA-N 438.915 5.178 30 20 IKED COc1cc2cc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)[nH]c2cc1OC 437481946 NCRDXNKHWABSST-UHFFFAOYSA-N 431.423 5.240 30 20 IKED Cc1c(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cccc1C(=O)Nc1ccccc1 438198966 GVAQYUDSETUZSL-UKILVPOCSA-N 438.531 5.551 30 20 IKED C[C@@H](NC(=O)Nc1ccnc(Oc2ccccc2Br)c1)c1ccc(C#N)cc1 438379930 XQQVBQNSNOJUSC-CQSZACIVSA-N 437.297 5.391 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H]2CCOc3c(F)cccc32)cc1OCC 438471779 UXBFTQJIQFBODJ-GOSISDBHSA-N 436.321 5.165 30 20 IKED CCc1nnc(-c2cccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)c2)o1 440606280 UPDMOZLPTVDVKC-UHFFFAOYSA-N 440.528 5.715 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3c3nc4ccc(Cl)cc4[nH]3)cc2)nc1 440731311 CJYHSZFRVMVWMX-OAQYLSRUSA-N 443.894 5.253 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)c2ccccc21 444143485 SZWXSXCYJAZKAQ-UHFFFAOYSA-N 443.551 5.605 30 20 IKED N#Cc1cc(NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)ccc1C(F)(F)F 444874250 OUUOQFZEOHNUBQ-UHFFFAOYSA-N 426.442 5.309 30 20 IKED CC(C)(C)c1ccc(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 446339872 GWTPGESPEBTQLD-UHFFFAOYSA-N 449.498 5.586 30 20 IKED C=C(C)[C@H](NC(=O)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1)c1ccc(F)c(F)c1 460877713 BSZDIPFVDHOAMD-RDJZCZTQSA-N 444.404 5.007 30 20 IKED O=C(CC1CCC(C(F)(F)F)CC1)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 464729492 QGJYMTZZIKEYNP-UHFFFAOYSA-N 437.359 5.728 30 20 IKED CC[C@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc(C(F)(F)F)cs1 465255073 GNYBFFZUQGYIJD-SFHVURJKSA-N 445.466 5.901 30 20 IKED CN(C(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)C1CCC(C(C)(C)C)CC1 465449726 UIYOBULUAXDBSU-UHFFFAOYSA-N 437.544 5.049 30 20 IKED C=CCc1ccc(OCC(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)c(OC)c1 467473502 CQANRECWATZTLI-QFIPXVFZSA-N 433.552 5.097 30 20 IKED C[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(C(F)(F)F)cc1 468284737 FYMQKNUOQVQYEY-OAHLLOKOSA-N 425.410 5.298 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCC(C(=O)c4ccc(F)cc4)CC3)c2)c1 468976522 OCGMKQLPRQSMHZ-UHFFFAOYSA-N 442.490 5.011 30 20 IKED C[C@@H](CC(C)(C)c1ccccc1)NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470543893 ZDKMUBOCSWOXAT-IBGZPJMESA-N 432.568 5.147 30 20 IKED Cc1cc(-c2noc([C@H](C)NC(=O)c3ccccc3-c3ccccc3C#N)n2)ccc1F 472395649 GWPYMUNOCIPRCP-INIZCTEOSA-N 426.451 5.214 30 20 IKED C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 473551004 MMAHUHOTHPRVMY-DRKIFQHWSA-N 432.545 5.116 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@H](C)c1ccc([S@](C)=O)cc1 473622870 UVPHASQBVRNDAC-CVCYQNGTSA-N 447.560 5.621 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 476929644 QAKMPOLTKRUZQI-UHFFFAOYSA-N 448.954 5.876 30 20 IKED N#CCC[C@H](NC(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1)c1ccccc1 477221873 LICZTZIWCIUAFN-PMACEKPBSA-N 430.321 5.384 30 20 IKED C=C(C)Cn1c(S[C@@H](C)C(=O)N[C@H](CCC)c2ccccc2)nnc1-c1ccncc1 481357433 HEOUJSQCRQHQJO-GHTZIAJQSA-N 435.597 5.054 30 20 IKED N#CCC[C@@H](NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccccc1 482320146 SAZSYULXYAWAPT-IAGOWNOFSA-N 429.364 5.653 30 20 IKED CC(C)(C)[C@H](COc1ccccc1F)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 486446922 NCRUZJRTXJQKNG-QFIPXVFZSA-N 433.483 5.108 30 20 IKED C=CCN(C(=O)c1sccc1C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 497989475 AJVFAWRPBNDJBN-UHFFFAOYSA-N 427.554 6.243 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)cc1 499309545 UOUHEAFCTHHPCB-VWLOTQADSA-N 438.462 5.796 30 20 IKED C[C@@H]1Sc2ccc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc2NC1=O 501426084 TZSARLCABCZEJI-INIZCTEOSA-N 443.528 5.017 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)CCc3ncc(-c4ccccc4)o3)c2)cc1 501455795 SAOYUXZHMUXRNF-UHFFFAOYSA-N 437.499 5.558 30 20 IKED Cc1ccccc1CN(Cc1cccnc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 503224516 GEKQINAGPPTIHL-UHFFFAOYSA-N 448.526 6.288 30 20 IKED Cc1cc(NC(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)nn1CCC#N 504107977 FNVYBVBVRBFAAA-UHFFFAOYSA-N 443.276 5.051 30 20 IKED CC[C@@H](C)n1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nnc1-c1ccccc1 504290077 OJYBIOXPPWDNNZ-CQSZACIVSA-N 425.945 5.172 30 20 IKED COC(=O)c1c(NC(=O)N(C)[C@@H](C)CC#N)sc(C)c1-c1ccc(Cl)cc1Cl 506968947 QIHOLMZEKVSQAR-JTQLQIEISA-N 440.352 5.583 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)C3(c4cccc(Cl)c4)CCOCC3)c2)c1 507055630 YYXQIAJVKZKYCM-UHFFFAOYSA-N 446.934 5.478 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H](c2nccs2)C(F)(F)F)c1 507640302 IUQSATLGNWGFDY-INIZCTEOSA-N 437.830 5.494 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(Cc1ccccc1Cl)c1ccc(F)cc1 508167371 FSGNWHXMMXQPDX-UHFFFAOYSA-N 437.902 5.234 30 20 IKED C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](n2ncc3ccccc32)C1 508735650 XAIVKBPLAIVYLO-RBBKRZOGSA-N 442.567 5.022 30 20 IKED N#Cc1cc(NC(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)ccc1F 510870317 SVCACKFGGKLHEY-MRXNPFEDSA-N 425.508 5.005 30 20 IKED CCCN(CC)C(=O)c1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 511505725 FFMWPMWBXFDKRH-UHFFFAOYSA-N 441.531 5.262 30 20 IKED C[C@@H](Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cn1)c1ccccc1 515542510 XZOAAEVTOXTNBJ-UTKZUKDTSA-N 425.513 5.835 30 20 IKED Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 516069660 AJRNRYWYNYNEGK-INIZCTEOSA-N 435.597 5.657 30 20 IKED C=CCOc1c(Br)cc(CNCc2ccc(OC(F)(F)F)cc2)cc1OC 517542717 KHJQTLHJWSPISC-UHFFFAOYSA-N 446.263 5.211 30 20 IKED C=CCN(C(=O)Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H](C)c1cccc(-n2cnnn2)c1 520194150 HVDCZCLPGIUIFC-SFHVURJKSA-N 436.519 5.015 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)CN(Cc2ccco2)c2cccc(Cl)c2)c1 520315971 UZMCFMWIXQWTPY-UHFFFAOYSA-N 431.826 5.051 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1COCc1ccccc1 520937744 HYKAIZDDEMSDRZ-FQEVSTJZSA-N 445.588 6.119 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCCC[C@H]3c3cc4ccccc4[nH]3)s2)cc1 521258431 VUHLIMZXDLZGSZ-QHCPKHFHSA-N 441.560 5.846 30 20 IKED C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 523044870 LPZXMARHMVRAPS-QGZVFWFLSA-N 447.922 5.032 30 20 IKED CCc1c(C)sc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c1C#N 524105943 UGRGSKOLDCATDC-UHFFFAOYSA-N 431.970 5.361 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(F)cc3Br)cc2)c1 524386106 JNRDHONWODLEDU-UHFFFAOYSA-N 425.257 5.291 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)nnc1-c1ccco1 525003866 ZJHAEXPCQGGALO-ZDUSSCGKSA-N 427.917 5.205 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(OCC(F)F)n1 535528321 IIIYDRCJMWWXTA-UHFFFAOYSA-N 431.386 5.002 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 537553516 UWLDBWQZHBHGCJ-UHFFFAOYSA-N 439.496 5.917 30 20 IKED Cc1cc(Br)cc(C)c1N(CC(F)F)C(=O)c1c(F)cc(C#N)cc1F 544345739 SECLDUGSPWWZNX-UHFFFAOYSA-N 429.211 5.128 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)N1CC[C@H](OC(F)F)C1 548962462 OOUTWRSUARQRMZ-VIFPVBQESA-N 438.340 5.205 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ncsc1C(F)(F)F 549005628 AARBUOXATNDKLE-VIFPVBQESA-N 436.299 5.604 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(C(=O)Nc4ccccc4)c3)n2)cc1 552062818 HJGVBWGRZKWVDF-QFIPXVFZSA-N 448.507 5.424 30 20 IKED C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(Cc1ccccc1)c1ccccc1C#N 552649689 LXVFURHRHDITPK-MRXNPFEDSA-N 435.867 5.121 30 20 IKED CN(Cc1nc(-c2cccs2)no1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 554206854 RPCSGBQLDYPFIZ-UHFFFAOYSA-N 431.477 5.126 30 20 IKED CCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)Cc1ccc(C#N)cc1 555461713 RVNJGMOSAITYOL-AREMUKBSSA-N 429.589 5.006 30 20 IKED C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC(c2c[nH]c3ccc(OC)cc23)CC1 558978608 HUUVZAGNLXGRGP-UHFFFAOYSA-N 442.567 5.099 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(c2ccnn2CC)CC1 558979558 NXJNWKWQIPVMCX-OAQYLSRUSA-N 448.615 5.211 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NCc3nc4cc(Cl)ccc4s3)cc2)ccn1 562108821 JTHZXHWBVNLRMG-UHFFFAOYSA-N 435.896 5.330 30 20 IKED Cc1cccnc1C(C)(C)CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 563785394 BGVGPKKERYRJAF-UHFFFAOYSA-N 428.536 5.134 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3c(O)c(Cl)cc(Cl)c3Cl)CC2)c(F)c1 569152043 WXYFYTGZHVTYEG-UHFFFAOYSA-N 442.705 5.218 30 20 IKED C=CCn1c(CSc2ccccc2OC)nnc1N1CC=C(c2cccc(OC)c2)CC1 577027602 RMWOWUVSVGRQGT-UHFFFAOYSA-N 448.592 5.067 30 20 IKED N#CCCn1ncc(-c2nc(-c3cccnc3Oc3ccccc3)no2)c1-c1ccccc1 580017384 GFJWINSYNXRGTH-UHFFFAOYSA-N 434.459 5.368 30 20 IKED C=CCN(Cc1cccs1)C(=O)N[C@H]1c2cc(Br)ccc2SC[C@H]1C 591420324 RSDBEDJJJTYIOL-FZKQIMNGSA-N 437.428 5.691 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cc4cc(Br)ccc4o3)cn2)c1 603623554 ZRYSWNRSUGWOBZ-UHFFFAOYSA-N 434.249 5.507 30 20 IKED N#C[C@@H](C(=O)c1cccc(I)c1)c1nc2cc(Cl)ccc2s1 603846305 MNBKBIJFANDZPJ-LBPRGKRZSA-N 438.677 5.044 30 20 IKED Cc1sc(-c2ccco2)nc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 603995991 YHPCFIGUICMEFO-UHFFFAOYSA-N 428.473 5.088 30 20 IKED N#CCc1ccc(OCc2cccc(N[C@@H](C(=O)N3CCCCC3)c3ccccc3)c2)cc1 604046222 SVAPDFSOUZSSKB-HHHXNRCGSA-N 439.559 5.497 30 20 IKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cccc(OCc2ccccc2C#N)c1 604519589 FYOFTJOHZQQRJZ-SHQCIBLASA-N 440.543 5.377 30 20 IKED N#C[C@H](C(=O)c1cc(Br)sc1Br)c1ccc2ccccc2n1 604929762 SMKYLFKKQDQMNT-NSHDSACASA-N 436.128 5.311 30 20 IKED O=C(Nc1ccc(F)cc1OCC1CC1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 607219100 GCXAEHXCFBKEIN-RYUDHWBXSA-N 442.375 5.646 30 20 IKED N#C[C@H](C(=O)c1ccnc(OCC(F)(F)F)c1)c1nc2cc(C(F)(F)F)ccc2s1 608552867 JHXJHBKQPGXEPT-LLVKDONJSA-N 445.344 5.141 30 20 IKED Cc1ccc(-n2c(SC[C@@H](C#N)CCC#N)nc3sc4c(c3c2=O)CCC4)c(C)c1 608855854 UCYISWJSSBEYAT-MRXNPFEDSA-N 434.590 5.088 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 608916395 ZPHNUQOXTQNPBA-UHFFFAOYSA-N 443.503 5.308 30 20 IKED C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1nc2ccccc2[nH]1 609080784 UMDKIBFXQYVEFO-OAHLLOKOSA-N 445.910 5.550 30 20 IKED Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609104508 ZDPLBZSBSFYVIU-UHFFFAOYSA-N 441.462 5.421 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H](c3ccc(F)cc3)[C@H]3CCCO3)c2)cc1 609208419 JSDPZGAQBFCDRZ-RPWUZVMVSA-N 431.467 5.531 30 20 IKED Cn1c([C@@H]2CCCN2C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)nc2ccccc21 609298697 KVLSRFDGISUSBZ-QHCPKHFHSA-N 440.478 5.354 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OCC(C)C 609435028 LFQFPEVFUAIYEA-ZWKOTPCHSA-N 441.597 6.007 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)cc1 609826843 FOHNGORKGKKLET-MBSDFSHPSA-N 437.540 5.322 30 20 IKED C=CCN(C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1ccccc1 611809999 QCMBGXDGKUWLFP-UHFFFAOYSA-N 425.282 5.127 30 20 IKED C[C@@]1(C#N)CCCN(C(=O)N[C@@H](c2cccc(F)c2)c2cccc(Br)c2)C1 612375956 LKJVMUIMKSAONB-CTNGQTDRSA-N 430.321 5.013 30 20 IKED N#C[C@H](C(=O)c1occc1COc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 613319446 DMVTXDGPYYYTDF-LJQANCHMSA-N 434.904 6.126 30 20 IKED CC(C)(C)c1ccc(OCc2ccc(C(=O)[C@H](C#N)c3nnc4n3CCCCC4)cc2)cc1 620445787 WAVJAZZKOBKCMQ-QHCPKHFHSA-N 442.563 5.371 30 20 IKED O=C(Cc1ccccc1OC(F)F)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 622485168 GHMCJCKPEZRLCX-HNNXBMFYSA-N 427.291 5.269 30 20 IKED C=C(CNC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C)c1ccccc1 673342557 ROWJBYIDXPCVBW-UHFFFAOYSA-N 428.916 5.545 30 20 IKED CC(C)(C)[C@H](NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F 675204648 QEZKWKSMKYCYQQ-SGMGOOAPSA-N 432.355 5.434 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(Cl)cc1C(F)(F)F 681130060 UAQUIDJLGCFGPI-YUMQZZPRSA-N 441.721 5.998 30 20 IKED O=C(c1cc(Cl)cc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 681654033 ZUSJYZPQKATMMW-AOOOYVTPSA-N 427.694 5.562 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1ccc(C#N)c(Cl)c1 726487175 JUAFYYRLWSVXPK-UHFFFAOYSA-N 438.753 5.498 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(C(C)(C)C)n2)n(C2CCCCC2)c1C 726685806 VFXYUDXCDYKVNM-UHFFFAOYSA-N 442.585 5.031 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C/c1ccc(N2CCOCC2)c(F)c1 727267333 HBXLTQAJAWQPCQ-YCRREMRBSA-N 426.488 5.129 30 20 IKED N#C[C@@H](C(=O)C1CCN(c2nc3ccccc3s2)CC1)c1nc2cc(F)ccc2s1 730421535 LXFUTEIUZBBMQY-HNNXBMFYSA-N 436.537 5.138 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc2)cc1 732494766 LQZHGPDZQDRJHJ-QFIPXVFZSA-N 429.863 5.160 30 20 IKED N#C[C@H](NC(=O)c1csc(COc2ccc(F)cc2)n1)c1c(Cl)cccc1Cl 733259734 JMXIMEHCTDVQFF-HNNXBMFYSA-N 436.295 5.163 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)ccc1OC 733323664 MQVIBSSMMZAWDN-ZEQKJWHPSA-N 443.547 5.154 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cc(F)ccc2Oc2ccccc2)ccc1OC 733631228 VDVJTGGYZVULLD-IBGZPJMESA-N 449.482 5.629 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)c1 733775123 QKQRZSDWAYSBGK-HSZRJFAPSA-N 448.950 5.459 30 20 IKED C=CC[C@H](NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1ccncc1 734461708 ZIFBSFNMFGENPT-NRFANRHFSA-N 440.330 5.688 30 20 IKED COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3c(Cl)nc4ccccn34)c2)cc1 737446644 ZJDICHNKZIXTQY-MDWZMJQESA-N 431.879 5.145 30 20 IKED C=CCn1c(-c2cccc(C)c2)nn(CN2CC[C@@H](COCc3ccccc3)C2)c1=S 742177543 VYXKDZPLRIQRST-JOCHJYFZSA-N 434.609 5.072 30 20 IKED CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1 742695955 UDOFDPDZYNUBRW-UHFFFAOYSA-N 435.524 5.340 30 20 IKED O=C(/C=C/c1csc(COc2ccc(Cl)cc2)n1)c1ccc(-c2ccncc2)cc1 745990316 QRMSKMKCGQCDDC-JXMROGBWSA-N 432.932 6.334 30 20 IKED Cc1ccc(C(=O)N[C@H](CC(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c2ccccc2)cc1 747193362 ISJCJTXFCDYXGC-NHCUHLMSSA-N 431.561 5.313 30 20 IKED Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1c(C2CC2)nc2sccn12 755524897 NSBFPIDSWGGILB-UHFFFAOYSA-N 435.365 5.009 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)[C@H](C)Cc1ccccc1[N+](=O)[O-] 761268041 ZKWRTIUPBBOASP-CYBMUJFWSA-N 444.417 5.132 30 20 IKED CC(C)(C#N)CCCCOC(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 768626854 JNRMTXOONWKNSB-UKILVPOCSA-N 432.564 5.430 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NCc1ccc(OCC#N)cc1 772961063 YOJGGVKTKSRAHJ-CQSZACIVSA-N 442.382 5.634 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)O[C@@H](C#N)Cc1ccc(F)cc1F 774333747 JLCZZIGEMXOZCQ-QGZVFWFLSA-N 444.434 5.018 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)c1ccccc1 777296350 KGBSQZRGYAZLHQ-OALUTQOASA-N 448.548 5.037 30 20 IKED N#C[C@@H](C(=O)CCCCC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1Cl 778604850 DZTYQLCPBVEFSY-INIZCTEOSA-N 435.282 5.223 30 20 IKED Cc1sc([C@H](C)NC(=O)Nc2ccccc2O[C@H](C)C#N)nc1-c1ccc(Cl)cc1 780666951 DHRVHXOPTPCEGF-KGLIPLIRSA-N 440.956 5.946 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1ccc2c(c1)CCC2)c1nc(-c2c(F)cccc2F)cs1 783364796 VLDHJRNLDNDHGU-QGZVFWFLSA-N 436.483 5.416 30 20 IKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1cnc2ccccc2n1 792101569 BEKKFQZWSZGPNO-HNNXBMFYSA-N 437.286 5.401 30 20 IKED Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 794932618 XGMHNBIFGJQQNX-JOCHJYFZSA-N 427.891 6.211 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C#N)ccc1Cl 795328667 JKOATZSKCYYZGD-UHFFFAOYSA-N 439.821 5.830 30 20 IKED CCN(C(C)=O)c1nc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)cs1 796989526 GJQDVSCGALJEAG-QGOAFFKASA-N 433.558 5.549 30 20 IKED Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 800148915 LOBWGFSUGOCQNO-UHFFFAOYSA-N 425.803 5.612 30 20 IKED C#C[C@H](NC(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl)c1ccc(Cl)cc1F 806260196 ITNBBWDABLZFRO-SFHVURJKSA-N 436.314 5.109 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc(OC)c1OCC(F)F 809152498 UPLQTNIXLKUIDJ-FPYGCLRLSA-N 427.241 5.006 30 20 IKED C[C@@H](C#N)Oc1ccc(CN(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)cc1 809767827 VLIRCTJIQBZTIG-SFHVURJKSA-N 425.454 5.594 30 20 IKED N#C[C@@H](C(=O)CSC(c1ccccc1)c1ccccc1)c1nc(-c2ccccc2)cs1 914528874 NWVIJKQHKGWICQ-QFIPXVFZSA-N 440.593 6.509 30 20 IKED COc1ccc(-n2c(/C(Cl)=C\c3ccc(OCC#N)c(OC)c3)nc3ccccc32)cc1 915112479 AKJBYVOUIZWFOC-HMMYKYKNSA-N 445.906 5.682 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 916844655 SZUYNLCAOIMDET-MRXNPFEDSA-N 438.318 5.091 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccc(F)cc2)s1 916902231 WNUDDVLSJYZDMY-HNNXBMFYSA-N 442.899 5.486 30 20 IKED Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)cc12 916905206 IXWOANBNBKKWHB-KRWDZBQOSA-N 448.935 5.069 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(Br)c1 916911853 YBMFTFRZMHDSKD-SFHVURJKSA-N 435.277 5.203 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1csc([N+](=O)[O-])c1)C(=O)c1ccccc1 917142861 BEDHANGOGURNKJ-DEDYPNTBSA-N 434.517 5.686 30 20 IKED N#Cc1ccc(S(=O)(=O)Oc2ccc(Cl)c(C(F)(F)F)c2)c(C(F)(F)F)c1 917857268 WNTQQVDUIIHJBG-UHFFFAOYSA-N 429.725 5.017 30 20 IKED COc1ccc(Cl)cc1C(=O)NC1(c2ccc(NC(=O)[C@H](S)C(C)C)cc2)CCC1 1786393567 FKXQAGHBZADCKA-HXUWFJFHSA-N 447.000 5.051 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C(C)(C)CC(=C)C)[C@H]1c1cccnc1 1810488623 GMWKTIAAVZNWNC-FCHUYYIVSA-N 425.617 5.072 30 20 IKED Cc1csc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1815380396 HPMLMCDGKWTHST-OXQOHEQNSA-N 447.564 5.026 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sccc2OCC)[nH]n1 1819552286 IUDSYPCRGAPQDD-KRWDZBQOSA-N 444.601 5.168 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)[nH]n1 1819552962 LHSDQBOKNYRDBD-INIZCTEOSA-N 428.499 5.127 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCCCC2(F)F)[nH]n1 1819553074 RPXPHWWONJFCAM-SJLPKXTDSA-N 436.547 5.220 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ccncc23)[nH]n1 1819556101 SZCDPWPQDYBOER-JOCHJYFZSA-N 445.567 5.256 30 20 IKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2-c2ccc(C)cc2)CC1 1830674498 CACBVNXMPHCRGZ-MHZLTWQESA-N 442.603 5.309 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C)c2Cl)CC1 1831447868 XMLXWHXWCBRNSV-LJQANCHMSA-N 438.946 5.093 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 1832029588 IYLMDHMFWCLWTG-JOCHJYFZSA-N 448.529 5.132 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N[C@H](C)c2cccc3ccccc23)n1 10399590 KCYKJBYOKKNKLJ-CQSZACIVSA-N 429.467 5.403 30 20 IKED Cc1c(Cl)cccc1-n1c(SCc2cc(C#N)ccc2F)nnc1-c1ccncc1 11233957 ZVTKLEQLZVXOHO-UHFFFAOYSA-N 435.915 5.594 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2C)nc2sc(C)c(C)c2c1=O 16715517 QRTXETULYMOQCE-CQSZACIVSA-N 448.013 5.342 30 20 IKED CC(C)c1ccc(CSc2nnc(SCC(=O)Nc3ccc(C#N)cc3)s2)cc1 24272761 VBZQXEASAVHQRT-UHFFFAOYSA-N 440.619 5.556 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1sc2cc(F)ccc2c1Cl 32042156 ZBCADDZGJSMJDK-YUMQZZPRSA-N 447.803 6.333 30 20 IKED CCN(C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)[C@H](C)c1ccc(C#N)cc1 61140145 CNYXNXHNUKTOLV-CQSZACIVSA-N 444.387 6.141 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1sc(COc2ccc(Cl)cc2)nc1C 62903365 RFQRCSVYLZYIHL-UHFFFAOYSA-N 437.952 5.384 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 63407404 JYNBQLDCWQYFTH-UHFFFAOYSA-N 448.032 5.020 30 20 IKED C[C@H](Sc1nc2c(cc1C#N)CCCC2)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 96995129 PQUIITJLYUXRJG-LBPRGKRZSA-N 434.546 5.243 30 20 IKED C=CCn1c(Sc2nc(-c3cccnc3)nc3sc4c(c23)CCC4)nnc1C1CC1 105328716 KAGDEDIBJDNTNK-UHFFFAOYSA-N 432.578 5.048 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)COc2ccc(F)cc2Cl)cc1 116525255 DUHYFKDZLHQWNX-UHFFFAOYSA-N 426.831 5.169 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(OC(C)C)cc2)cs1)c1ccc(F)cc1F 206339005 RYFGBQSVPSHIOV-XFFZJAGNSA-N 442.487 5.789 30 20 IKED C[C@@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1C(=O)c1ccc(C#N)cn1 216993853 VETGTEXVLNETFN-DNVCBOLYSA-N 426.907 5.437 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)cc1 409817105 NPTNMVBUHAQUOM-QFIPXVFZSA-N 438.886 5.154 30 20 IKED N#CCCn1ncc(C(=O)Nc2cccc(COC3CCCCC3)c2)c1-c1ccccc1 428919163 ICWCQLBHGIASNK-UHFFFAOYSA-N 428.536 5.565 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)c1cccc(SCC#N)c1 430610517 KZAQEYXWRFODEF-UHFFFAOYSA-N 430.508 5.556 30 20 IKED CN(Cc1cccc(N(C)C)c1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 431547495 YPVGLQDFEKEFTJ-UHFFFAOYSA-N 428.536 5.062 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1ccccc1Br 432096039 RNGUSCBTEDXNNW-DHSIGJKJSA-N 430.371 5.378 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1ncccc1C(F)(F)F 432260716 YPNXIMXCUZBMRI-CYBMUJFWSA-N 425.501 5.224 30 20 IKED C=CCC[C@H](NC(=O)N(CC)CC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1 435100757 JUCARYLELZAZRK-IBGZPJMESA-N 434.367 5.671 30 20 IKED CC[C@@H](O)CN(Cc1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 435663126 MSQPUOBXBXAQRI-RUZDIDTESA-N 443.547 5.137 30 20 IKED CCc1cnc(CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)s1 437959983 HNGMWASBCYGMLL-UHFFFAOYSA-N 440.956 5.174 30 20 IKED C=CCC[C@H](NC(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C)c1ccc(C(F)(F)F)cc1 439583352 TWEMSZTUXCLFRH-YJBOKZPZSA-N 435.494 5.214 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2C[C@@H]2C2CCCCC2)cc1Cl 442559930 VEEVUCKWUQVYLG-XPNTWCBSSA-N 435.955 5.019 30 20 IKED CC(C)(C)Cc1nc(-c2ccc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cc2)no1 442624739 ZEJLZMZKCAIEHV-MRXNPFEDSA-N 428.414 5.229 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(NC(=O)CC(C)C)c(C)c3)n2)cc1 442875836 OWRIBYUMBPTXSZ-FQEVSTJZSA-N 447.560 5.602 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cn(CCCC#N)c2ccccc12 444121252 HCCXJSCQJURGAG-UHFFFAOYSA-N 448.526 5.956 30 20 IKED Cc1cc(-c2noc(CN[C@@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)n2)ccc1F 444742662 JSAGUWDGORHKAN-INIZCTEOSA-N 447.354 5.986 30 20 IKED C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 460953236 SVADRFHEICQKLS-ZOKDDAQRSA-N 443.016 5.033 30 20 IKED CC(C)(C)[C@@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)c1cccc(C(F)(F)F)c1 462092404 PKBSISXGQZYGNR-SFHVURJKSA-N 442.445 5.067 30 20 IKED CCOCCOCc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1C 465337359 OSJWVUAFNZTVFV-UHFFFAOYSA-N 446.572 5.823 30 20 IKED COc1ccc(-c2cncc(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)c2)cc1 467070974 YASJYXDOTZIUBG-QFIPXVFZSA-N 425.513 5.679 30 20 IKED Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1occc1COc1cccc(C#N)c1 468161501 WHNSLHSXVYBLEC-LJQANCHMSA-N 429.520 5.670 30 20 IKED Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)Nc1sc(-c3ccccc3)cc1C#N)CC2 468687847 CFBCUFUGCAYJFQ-AWEZNQCLSA-N 442.466 5.148 30 20 IKED Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cn(CCCC#N)c2ccccc12 469137377 XUGUZJMQJQTYGW-UHFFFAOYSA-N 432.593 5.055 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc3)ccc21 469250473 NUYQEOBBSMCZNN-AREMUKBSSA-N 447.941 6.264 30 20 IKED CC(C)(CC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)Cc1ccc(Cl)cc1 469972032 HBYNHHKGELADOW-UHFFFAOYSA-N 437.971 5.520 30 20 IKED Cc1ccc(-c2noc([C@H](C)NC(=O)Nc3ccccc3SC[C@H](C)C#N)n2)cc1F 473824928 ZQJIAAHFJKYKFJ-HIFRSBDPSA-N 439.516 5.319 30 20 IKED N#CCCSc1ccccc1NCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 476397752 LZOWQROQTSGKMH-IBGZPJMESA-N 434.392 5.775 30 20 IKED CCc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ncc(Cc3ccc(C#N)cc3)s1)CCC2 477401395 QMUPUHDYRFLJMZ-SFHVURJKSA-N 437.594 5.166 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 480342128 LBYQMSCKCFDQBK-IAGOWNOFSA-N 434.005 5.231 30 20 IKED N#CCCN(C(=O)c1csc(-c2cccc3ccccc23)n1)c1ccc2c(c1)OCCO2 480626967 ZWSHFNRQYDZPKL-UHFFFAOYSA-N 441.512 5.295 30 20 IKED C=C(C)[C@@H](NCc1csc(N(C(C)=O)c2ccccc2F)n1)c1ccc(F)c(F)c1 481613180 OFEVZECTAZPWED-OAQYLSRUSA-N 431.483 5.652 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2ccc(C3CC3)cc2)c1 481869692 SFEHCPRSXSTWQE-UHFFFAOYSA-N 441.556 5.096 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1nc(-c2ccc(Cl)cc2)cs1 490717333 FBWUQJIYHQIMKU-OAHLLOKOSA-N 449.879 5.047 30 20 IKED COc1ccccc1C(C)(C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 491568969 KHGCCAULJVZAML-UHFFFAOYSA-N 429.520 5.397 30 20 IKED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1 501829935 NAVWVYFISQHATL-ZUOKHONESA-N 430.624 5.402 30 20 IKED CCOc1ccc([C@@H](NC(=O)c2ncc(C#N)cc2Cl)c2cccc(Cl)c2)cc1 502356790 UTFLOJPDEKWVEA-HXUWFJFHSA-N 426.303 5.178 30 20 IKED C[C@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1nc(-c2ccccc2)cs1 504254526 NNVMMDDVLRBKHI-HNNXBMFYSA-N 429.467 5.241 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2csc(-c3cccnc3)n2)cc1 505617544 CXOCOAHIOVRMJH-UHFFFAOYSA-N 442.500 5.059 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cc(Cl)c(C)cc2Cl)nnc1-c1ccco1 507983533 UKOZKZZXQHLDCL-UHFFFAOYSA-N 437.352 5.460 30 20 IKED N#CC1CCC(CNC(=O)[C@H](Oc2ccc(Br)cc2F)c2ccccc2)CC1 508366541 GWQYFKQLUBFHHV-CPAJTMIGSA-N 445.332 5.154 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)NC1(c2ccc(C(F)(F)F)cc2)CCCC1 509544975 XVYJJWCTNWTQBU-UHFFFAOYSA-N 443.469 5.272 30 20 IKED CCOc1ccc(CN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C(C)C)cc1 509560582 OIMYWYFECGFXFT-UHFFFAOYSA-N 435.446 5.341 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 510077584 DCKBPMDXRDOJDH-GUYCJALGSA-N 425.451 6.035 30 20 IKED COc1cccc(-c2nc(CSc3nc(-c4ccccc4)ccc3C#N)cs2)c1OC 510204319 VEWYDANKLNSAAY-UHFFFAOYSA-N 445.569 6.053 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2Cc2ccccc2)cc1 511404593 LRMNPCLPPVRQDM-XMMPIXPASA-N 425.532 5.571 30 20 IKED CCn1cc(Br)cc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 512232585 YOJBUMQQCIFQLI-UHFFFAOYSA-N 438.325 5.168 30 20 IKED C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 512319460 HZVDHABLXHGAHE-IQGLISFBSA-N 441.506 5.134 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 513152039 AXOKLEFFYOTBQU-SZNDQCEHSA-N 446.498 5.394 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 513414389 HQUJIQDDICQKFW-UHFFFAOYSA-N 443.506 5.680 30 20 IKED N#C[C@H](C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)c1nc2ccccc2[nH]1 513673300 ZZPVQBKMNBBFCM-GOSISDBHSA-N 429.911 5.161 30 20 IKED C[C@@H](OCCCNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccccc1 514030047 ZZHPKUYBZPULEK-OAQYLSRUSA-N 445.538 5.577 30 20 IKED C=CCOc1c(Br)cc(/C=C(/CC(=O)O)c2nc3ccccc3o2)cc1OC 515175235 RSVUEYCOKKDJIU-ZROIWOOFSA-N 444.281 5.179 30 20 IKED Cc1ccc(OCc2nc(CC(=O)Nc3ccccc3SC[C@@H](C)C#N)cs2)cc1 518143407 JTELZHVDBPTYDR-KRWDZBQOSA-N 437.590 5.464 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ncccc3OCC3CCCCC3)cc2)nc1 518399576 YEZQKTYPBJJPTN-UHFFFAOYSA-N 428.492 5.352 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(CN4CCSCC4)cc3)c2)cc1 519123662 RETSKXPIGSSHOI-UHFFFAOYSA-N 429.545 5.152 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CCCO[C@@H]3c3ccccc3)cc2)cc1 519988971 VMRAMFJYHRZCLF-SQJMNOBHSA-N 427.504 5.640 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCCc2nc3ccccc3[nH]2)cc1 520494720 MPIOHTBOQIPNHR-UHFFFAOYSA-N 426.545 5.089 30 20 IKED COc1ccc(-c2csc(NC(=O)c3occc3COc3cccc(C#N)c3)n2)cc1F 522483281 CUTVHILUASLGCQ-UHFFFAOYSA-N 449.463 5.254 30 20 IKED Cc1ccc(C[C@@H](C)NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)s1 523402438 QCSQNPDRTIITCZ-MRXNPFEDSA-N 449.601 5.020 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc4c(c3)NC(=O)CS4)cc2Cl)c1 524392912 GEYASNRHWOBNLW-UHFFFAOYSA-N 449.919 5.087 30 20 IKED C=CCN(C(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1)c1nc(-c2ccccc2)cs1 525521217 MUWNYJJRLHYWFT-UHFFFAOYSA-N 447.604 5.947 30 20 IKED COc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1-c1ccccn1 535860778 OEGPWRLMFDBAFK-UHFFFAOYSA-N 449.510 5.655 30 20 IKED COc1cc(CN[C@H](C)c2ccc(OC(F)F)cc2)ccc1OCc1cccc(C#N)c1 540320205 GDOIOMGORZYKDS-QGZVFWFLSA-N 438.474 5.598 30 20 IKED CC(C)(O)CN(Cc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 540549880 QMPZRDWNJCPIPB-UHFFFAOYSA-N 443.547 5.137 30 20 IKED N#Cc1cc(C(=O)Nc2cccc(CNC(=O)Nc3ccccc3Cl)c2)ccc1Cl 541788098 AYQGLZDUSCLMLT-UHFFFAOYSA-N 439.302 5.439 30 20 IKED CN(C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 542178611 KYMGPYOYQAMLDJ-PBHICJAKSA-N 448.338 5.032 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 547507090 KJMMEKFYHSLRHY-QGZVFWFLSA-N 437.565 5.443 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC(c4ncccc4Cl)CC3)cc2)ccn1 558512481 USOXKBUVAUQHMZ-UHFFFAOYSA-N 433.899 5.205 30 20 IKED N#Cc1cccc(COc2cccc(CN3CCCC[C@@H]3c3nnc([C@H]4CCCO4)o3)c2)c1 561970282 CWGJZMWYFQKJMI-DNQXCXABSA-N 444.535 5.099 30 20 IKED CC(C)c1ccc(OC2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)cc1 563497480 BESKYYSRTMKSLZ-UHFFFAOYSA-N 437.609 5.104 30 20 IKED Cc1sc(C2(NCC(=O)N(CCC#N)c3ccccc3)CCC2)nc1-c1ccccc1F 564232384 VLBHSHSENLJKPX-UHFFFAOYSA-N 448.567 5.173 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC3(C2)Oc2ccccc2O3)c1 574434551 KZUAQYFTJIMVGB-UHFFFAOYSA-N 432.863 5.018 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1 575875020 PTCJPEBSWGPJKX-UHFFFAOYSA-N 442.462 5.239 30 20 IKED C=CCN(C(=O)c1cn2ccc(Br)cc2n1)c1nc(-c2ccccc2)cs1 581568824 ADIJUTOWFVLQOQ-UHFFFAOYSA-N 439.338 5.053 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](c2ccccc2Cl)C1 582977148 BLJVOMXPPUCOKZ-QHCPKHFHSA-N 447.970 5.158 30 20 IKED O=C(c1ccc(-c2ccc(F)cc2)cc1F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 591956292 XVZRUWOOVMZJQF-KBPBESRZSA-N 437.330 5.835 30 20 IKED N#CCc1cccc(C(=O)N[C@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)c1 603734854 LTCYTNGMLFIHNH-OAQYLSRUSA-N 434.421 5.167 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N(Cc2cccc(F)c2)C(C)(C)C)n1 603905268 NCZAAZMVQHROCU-UHFFFAOYSA-N 439.478 5.339 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c1 604929666 LJWGQZORQXDMHD-KRWDZBQOSA-N 447.878 6.243 30 20 IKED C=CCn1c(SCC(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C)nnc1-c1ccc(Cl)cc1 605522936 MVKXSRRSVAKDRE-AYBZRNKSSA-N 431.005 5.056 30 20 IKED CC(C)c1noc(-c2ccccc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)n1 609064871 QKBWFPRNIUAZMW-UHFFFAOYSA-N 438.487 5.563 30 20 IKED CCOc1ccc(CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C(C)C)cc1 609147605 QQWZHAIHUZQYRP-UHFFFAOYSA-N 430.508 5.587 30 20 IKED Cc1ccc2c(Cl)c(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)sc2c1 609149821 CRYYANIZUISUDU-UHFFFAOYSA-N 437.952 5.226 30 20 IKED Cc1nc(CCC(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)oc1-c1ccccc1 609297969 XIUBVOIXXUAUOV-UHFFFAOYSA-N 427.426 5.045 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1N[C@H](C(=O)NC1CC1)c1ccc(F)cc1 609387139 OTBVVJLWAFRDJF-IBGZPJMESA-N 437.462 5.282 30 20 IKED C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cc(F)c(Cl)cc1Cl 609435395 LVKAWOFMJXQNEQ-NEPJUHHUSA-N 426.344 6.409 30 20 IKED COc1ccc(OC2CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)CC2)cc1 609500872 KNYFPXJSWQLXJP-UHFFFAOYSA-N 442.515 5.237 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3cc4ccccc4n3CC#N)s2)cc1 609608707 KKFJSWRNWLQWLE-OAHLLOKOSA-N 430.533 5.096 30 20 IKED C[C@H](NC(=O)N(CCCN(C)C)Cc1ccc(Cl)c(Cl)c1)c1cccc(C#N)c1 610407224 ZLTMLWOBFAWUPO-INIZCTEOSA-N 433.383 5.090 30 20 IKED COc1ccc(Br)cc1-c1nc(CN[C@@H](C)c2cccc(C#N)c2)cs1 611386608 PQTQWKPYXXXNLO-ZDUSSCGKSA-N 428.355 5.304 30 20 IKED C[C@@]1(C#N)CCCN(C(=O)Nc2ccc(COc3ccc(Br)cc3)cc2)C1 612295033 NUILXVBUKPICMR-NRFANRHFSA-N 428.330 5.186 30 20 IKED Cc1nn(-c2ccc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)cc2)c(C)c1Br 613292752 VNMSRPPJDPBDKU-LJQANCHMSA-N 445.320 5.290 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(NC(=O)c4ccccc4)cc3)n2)cc1 613314387 NFMQKQXLJRAMJZ-JOCHJYFZSA-N 437.524 5.861 30 20 IKED C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 642281174 LGSNPECKDBNZLX-ZNZDAUKMSA-N 435.936 5.548 30 20 IKED N#C[C@H](C(=O)c1ccc(OC(F)F)c(F)c1)c1nc2cc(C(F)(F)F)ccc2s1 645955549 GSFXOKCAWUOKBG-SNVBAGLBSA-N 430.329 5.546 30 20 IKED Cc1onc(-c2cccnc2)c1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 671751432 RSXCEFZDYVUGFS-ZDUSSCGKSA-N 428.395 5.164 30 20 IKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CC1CCC1)c1cccs1 726419656 JCOBEZANWPBFQA-LFBRLHLCSA-N 445.585 5.077 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c1 726499504 GDWXYCUWRAZZDB-UHFFFAOYSA-N 443.484 5.041 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1 726712220 PHZZDPKBXFLMRR-DEOSSOPVSA-N 440.478 5.500 30 20 IKED Cc1c(Br)c2ccccc2n1CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 730417192 LWGKTXYKTOFUJY-AWEZNQCLSA-N 442.313 5.338 30 20 IKED Cc1cc(-c2csc(NC(=O)c3ccc(C#N)cn3)n2)c(C)n1Cc1ccccc1Cl 730739600 JAAZINHJSZOCIZ-UHFFFAOYSA-N 447.951 5.449 30 20 IKED N#C[C@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1ccc(OC(F)(F)F)cc1 731197495 USYMWYFIDMQUGQ-KRWDZBQOSA-N 438.496 5.449 30 20 IKED CC(C)CN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc2ccccc2c1 731312879 QOCUIYUQZAYDKE-JOCHJYFZSA-N 447.560 5.162 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 732708177 NBHYGJFUSJDQNW-OAQYLSRUSA-N 442.421 5.871 30 20 IKED C[C@H](Oc1ccccc1Br)C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 732901132 JSPWJHKUJPBVGG-ZFWWWQNUSA-N 427.323 5.216 30 20 IKED N#CCOc1ccc(Cl)cc1COC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)no1 735350968 WKFLSTZNJXQZTG-UHFFFAOYSA-N 436.773 5.273 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)NC[C@@H]3CCCO[C@H]3c3ccccc3)c2)s1 740039412 ROGISESKIKFFDZ-URXFXBBRSA-N 431.561 5.254 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cccc(-c2nc(C)cs2)c1 740528895 ATBHHAJZBYLDJR-INIZCTEOSA-N 439.924 5.050 30 20 IKED Cc1ccc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1NC(=O)NC(C)(C)C 740826467 IWJBHSGBDNWGPJ-UHFFFAOYSA-N 446.576 5.445 30 20 IKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(CCCC(F)(F)F)C2=O)cc1 743737345 CHSGZMGJWUCSKJ-SFHVURJKSA-N 449.498 5.298 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3nc(-c4ccccc4)oc3-c3ccccc3)o2)cc1 744993589 DWUCJTUBOKTXRL-UHFFFAOYSA-N 448.438 5.287 30 20 IKED COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 746661341 YRUNIRKQBZWZMX-FTJBHMTQSA-N 425.532 5.892 30 20 IKED CC(C)[C@H](OC(=O)c1c(F)c(F)cc(F)c1F)C(=O)Nc1ccccc1C(F)(F)F 748230963 RYTZVTPNSKWTCW-INIZCTEOSA-N 437.311 5.082 30 20 IKED C[C@@H](OC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 759053511 FFQUMELOKMJZNY-OAHLLOKOSA-N 447.882 5.085 30 20 IKED COc1cccc(-c2nn(C(C)(C)C)cc2/C=C/C(=O)c2ccc(OC)c(NC(C)=O)c2)c1 759653220 OQYBWDMPHWNWJU-ZRDIBKRKSA-N 447.535 5.177 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NC(=O)Nc3ccc(F)cc3OCC#N)s2)cc1 761664091 FTMAGSIEHTZBKJ-AWEZNQCLSA-N 440.500 5.051 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2cccc(Cl)c2C(N)=O)cc1Cl 761744518 MBBXYJOFBJMPKE-UHFFFAOYSA-N 426.259 5.009 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccnc(Cl)c3F)s2)c(C(F)(F)F)c1 763859935 LHVCGUSCKIHXDW-UHFFFAOYSA-N 440.809 5.064 30 20 IKED Cc1nc([C@H](C)OC(=O)CSCc2ccc(C#N)cc2)oc1-c1ccc(Cl)cc1 763935164 RJVLTXXSKVFSQF-HNNXBMFYSA-N 426.925 5.713 30 20 IKED COC(=O)[C@H](Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(Br)c1 766736603 ZBLWSELHCORBSG-FCHUYYIVSA-N 435.321 5.431 30 20 IKED C[C@@H](OC(=O)[C@@H](Sc1ccccc1)c1ccccc1)C(=O)N(CCC#N)c1ccccc1 775202049 YPVNMOXZZHGFMT-YKSBVNFPSA-N 444.556 5.399 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 780579068 TWAPVESJVAMXPM-OAHLLOKOSA-N 434.883 5.527 30 20 IKED Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)Nc1ccccc1O[C@H](C)C#N 780672326 BKRGHTDFIKCAKP-CRAIPNDOSA-N 429.952 5.161 30 20 IKED C[C@@H](NC(=O)c1ccc(S[C@@H]2CCOC2=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 782829191 PKDDMNGCEJXIOY-MZNJEOGPSA-N 442.540 5.124 30 20 IKED FC(F)Oc1ccc([C@H](NCc2ccc(Cl)nc2C(F)(F)F)C(F)(F)F)cc1 787282136 YNJZBLKQNGHQKB-LBPRGKRZSA-N 434.714 5.748 30 20 IKED CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N 792399967 UBZPSFCRUHSYLX-AOMKIAJQSA-N 441.959 5.205 30 20 IKED CCNC(=O)N(C)c1cccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1 794113628 YCQMCBAJPXSTKP-UHFFFAOYSA-N 430.533 5.127 30 20 IKED Cc1cc(C#N)ccc1NC1CCC(OC(=O)c2sc([C@H]3CCCOC3)nc2C)CC1 796996644 KSCXHPZDKTUPFN-HDYDNRTBSA-N 439.581 5.106 30 20 IKED CCn1ncc(NC(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C(F)(F)F 798543962 XRSXEDDMWWZMMD-ARJAWSKDSA-N 445.285 5.611 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 800577154 IKZUQADBMZLXPQ-UHFFFAOYSA-N 427.589 5.449 30 20 IKED N#Cc1ccc(CN2CCCN(C(=O)/C(=C\c3ccc(F)cc3)c3cccs3)CC2)cc1 871779906 TXLBPYARNZLZBG-ULJHMMPZSA-N 445.563 5.034 30 20 IKED O=C(/C=C\c1ccccc1OC(F)(F)F)NC1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 914766530 LPAOSEUTSZKCET-SVWIVYCUSA-N 449.313 5.624 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)COC(c2ccccc2)c2ccccc2)cc1 915087511 UOVHJBFBCGIEHF-HHHXNRCGSA-N 432.523 6.087 30 20 IKED CCOc1cccc2cc([C@H](C)NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)oc12 915353912 ZIUKSRHRZZPBLZ-MBSDFSHPSA-N 439.515 6.370 30 20 IKED CCCCc1nnc(S)n1N=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 916302361 OCTNQTYJRZSZER-UHFFFAOYSA-N 430.961 5.033 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1 916946982 CEUZEESGSTVNJR-ZHRRBRCNSA-N 428.488 5.624 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 919909880 DYGVBPRFPLDOQQ-HSZRJFAPSA-N 443.503 5.269 30 20 IKED COc1ccc(OCc2nc(/C=C3\CCc4[nH]c5ccc(F)cc5c4C3=O)cs2)cc1 920065951 OJRVOBDKQSCTPE-GXDHUFHOSA-N 434.492 5.564 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(N2CCCC2=O)c1 920977174 VFVKXOUDPNUATD-KBMIEXCESA-N 438.531 5.352 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CNc4ccccc43)cc2)CCC1 1788047267 PNRYPCOLMVGGOL-JTHBVZDNSA-N 429.564 5.098 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc4nccnc4c3)cc2)CCC1 1789064114 HJZCTCYERRLXRD-UHFFFAOYSA-N 442.563 5.370 30 20 IKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C3CC3)cc1)C2)c1ccccc1 1798556718 CBGWCQFFDDLXNZ-HVWQDESWSA-N 440.587 5.013 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCCn2cccc2)[nH]n1 1814441752 RQAVYLXOJAJPNF-OAQYLSRUSA-N 439.604 5.066 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](c2ccccc2)C(C)C)n[nH]1 1814932889 HGSAEOQFCPENHI-FPOVZHCZSA-N 444.526 5.053 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CSC2CCCC2)n[nH]1 1815184419 HIQHDFDIUNBUCZ-IBGZPJMESA-N 432.634 5.070 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)cc2)n[nH]1 1820562016 SLBLDXPKBLWCGV-AZUAARDMSA-N 426.948 5.137 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)nc(CC)c2)CC1 1823752340 QHCILLJDXURZJS-XMMPIXPASA-N 439.644 5.178 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCc3ccccc32)CC1 1824144919 MXXQXLHLMGSPNP-FTJBHMTQSA-N 434.624 5.105 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2)CC1 1826500874 ABWMPAQPDCSVMH-RPWUZVMVSA-N 443.031 5.271 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncccc2-c2ccccc2)CC1 1831369167 CDLVJQAWWAFKOS-BWKNWUBXSA-N 445.607 5.194 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)CC1 1831378103 RPIPXXUCTLHXPI-WLRLJWMZSA-N 442.566 5.187 30 20 IKED O=C(/C(=C(\S)Nc1ccc(Cl)cc1Cl)[n+]1ccccc1)c1ccc2c(c1)CCC2 10837017 JYFIVPHZRAMKOW-UHFFFAOYSA-O 442.391 5.821 30 20 IKED C=CCc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc(OC)c1OC 16171369 XMMRMYNMCYDVEP-GOSISDBHSA-N 445.515 5.283 30 20 IKED C=CCn1c(SCC(=O)Nc2nc3ccc(C)cc3s2)nnc1-c1cccc(C)c1 16659005 QTKFEXLUJADEBX-UHFFFAOYSA-N 435.578 5.088 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)Cn1c(Cc2ccccc2)nc2ccccc21 25320794 CKVUPPBLHYFHNK-UHFFFAOYSA-N 445.906 5.156 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)cc1 29152569 NYSFXZWXXBMXNL-QHCPKHFHSA-N 442.519 5.018 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)c1cccnc1Sc1ccc(Br)cc1 32618056 HOPQLSORJZTRJB-UHFFFAOYSA-N 438.350 5.139 30 20 IKED COc1ccc(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(OC)c1 58433080 KEIVQHXIYIFGOS-UHFFFAOYSA-N 431.492 5.040 30 20 IKED CN(C(=O)CNc1ccccc1Oc1ncc(Cl)cc1Cl)C1(C#N)CCCCC1 71983159 QTNZCRMNKGLXOE-UHFFFAOYSA-N 433.339 5.277 30 20 IKED COc1cc(C)ccc1Oc1ccc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)cn1 117004940 ITDKZMOYHKHTIH-UHFFFAOYSA-N 448.548 5.114 30 20 IKED Cc1cccc(OCc2nnc(S[C@H](C)C(=O)/C=C3\N(C)c4ccccc4C3(C)C)o2)c1 214692848 PPONSVHTOBVRKG-VVRYKASASA-N 449.576 5.318 30 20 IKED N#Cc1ccccc1COc1cccc(CNCc2ccnc(N3CCCCCC3)c2)c1 237839423 QBRMCACSULQIPM-UHFFFAOYSA-N 426.564 5.202 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 301259561 FEOQCSORSXPBFT-AWEZNQCLSA-N 433.821 5.059 30 20 IKED C=CCn1c(SCc2c(C)nn(Cc3ccccc3)c2Cl)nnc1-c1ccncc1 302947084 JEKBWZHUUXACBS-UHFFFAOYSA-N 436.972 5.025 30 20 IKED CCn1nccc1C1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 433243540 HUPSBARTCMOHDU-JOCHJYFZSA-N 447.970 5.623 30 20 IKED Cc1nc(-c2ccc([C@@H](C)NCc3cn(CCC#N)nc3-c3ccncc3)cc2)cs1 433343259 NSXNOMQUFPTSAN-QGZVFWFLSA-N 428.565 5.142 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(Cl)ccc1Cl 437456504 YFQPDHYITSRMOX-CYBMUJFWSA-N 425.406 6.260 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(NC(=O)c2cccs2)c1 437675027 GHKNRSLEDPEBBM-SFTDATJTSA-N 430.533 5.304 30 20 IKED CCN(Cc1ccc(OC)c(OC)c1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438645672 DHKKVEUGLUFFKK-UHFFFAOYSA-N 449.482 5.561 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N(CCC(F)(F)F)CC3CC3)cc2F)c1 438660601 MUNCDNAMNUYZIF-UHFFFAOYSA-N 435.421 5.473 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)N[C@@H](CCC#N)c2ccccc2)cc1 438861382 RVHIYRRPXDXORN-NLFFAJNJSA-N 427.548 6.110 30 20 IKED N#CCC[C@H](NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccccc1 439669437 CHWIULFUPXSODS-FQEVSTJZSA-N 449.580 5.297 30 20 IKED C=CCn1c(SCc2nc(-c3ccc(C)c(OC)c3)no2)nnc1-c1ccccc1C 440869750 SEQUGVRQIRAVJA-UHFFFAOYSA-N 433.537 5.099 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 443879996 SVQCMUHUNFTOLP-UHFFFAOYSA-N 429.455 5.223 30 20 IKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(CN2CCCC(C)(C)[C@@H]2C#N)cs1 444731893 PBEJICDEBXVYAA-SFHVURJKSA-N 437.396 5.649 30 20 IKED O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1c(F)ccc(F)c1F 476128846 BQYSXWNKZSNIRE-UHFFFAOYSA-N 430.279 5.701 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)nnc1-c1cccnc1 477548354 IXOWNAWNQWXHOF-HNNXBMFYSA-N 437.956 5.996 30 20 IKED C=CCN(C(=O)c1cn(C(C)(C)C)nn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 477829050 TZAQXLABDWTMTA-UHFFFAOYSA-N 436.368 5.296 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C 480216330 KCXKTXKLJRFURJ-UHFFFAOYSA-N 439.968 6.182 30 20 IKED N#CCC[C@@H](NC(=O)Nc1nnc(-c2cccc(Br)c2)s1)c1ccccc1 481964355 RYFKKLIOXGYKQT-MRXNPFEDSA-N 442.342 5.134 30 20 IKED COc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 483642627 ANPLFODXTRIJSC-HXUWFJFHSA-N 430.508 5.714 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(COC3CCOCC3)c2)cc1F 487959664 KLKLACSZOZKWOK-UHFFFAOYSA-N 446.478 5.438 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NC23CCC(C(F)(F)F)(CC2)CC3)n1 488560356 KASJZASXJQXBTA-UHFFFAOYSA-N 437.853 5.174 30 20 IKED Cc1nc(C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c(C)o1 499048501 QVXXAZDGZLPTGT-GFCCVEGCSA-N 434.258 5.362 30 20 IKED C[C@H](Nc1ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1Cl)c1ccccc1 505970888 OUEDTTYKAYTYAX-FYSMJZIKSA-N 441.959 5.713 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H](CC(F)(F)F)c2ccccc2)cc1 510661769 JYYYVCYNZSNRKT-HXUWFJFHSA-N 425.410 6.166 30 20 IKED C[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511438348 JHXVPBMIBCMCGY-INIZCTEOSA-N 432.911 5.689 30 20 IKED N#C[C@@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)c1nc2ccccc2s1 513653239 DZGAWZVTBZKJHT-SFHVURJKSA-N 439.471 6.247 30 20 IKED N#Cc1ccc(CN2CCCN(C(=O)[C@H](Sc3ccccc3)c3ccccc3)CC2)cc1 514929919 FGKOWYWHGBKFJV-AREMUKBSSA-N 441.600 5.126 30 20 IKED COc1cc(CN(C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)ccc1OCc1ccccc1 515242236 UKNIIHGHODJSLI-UHFFFAOYSA-N 443.547 5.739 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCN(c4ncccc4C(F)(F)F)C3)c2C#N)C1 518172011 LEYICMFDOGDSFK-KGLIPLIRSA-N 448.514 5.013 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(NC(=O)C4CCC4)c3)cc2)cc1 519053462 IDNFAGGOIAJUEU-UHFFFAOYSA-N 440.503 5.411 30 20 IKED CC(C)c1ccc(C2(CNC(=O)C(=O)Nc3ccccc3SCCC#N)CCCC2)cc1 519437724 SFVMFCKLCNQLCA-UHFFFAOYSA-N 449.620 5.382 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)c(C)c1 520858328 ZVDHBUUKWNDDED-GOSISDBHSA-N 435.593 5.682 30 20 IKED Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)c1 520924494 ZDGLYVCUTGJOLB-PMACEKPBSA-N 435.593 5.189 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)cc2)c1 521328505 WMRBFIUVALIJLH-HXUWFJFHSA-N 440.503 5.233 30 20 IKED Cc1ccc(OCCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C)c1 521453365 VRIMIWPJRZMHKC-UHFFFAOYSA-N 429.520 5.149 30 20 IKED C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H]1c1nc2ccccc2s1 522035931 GWLUYHZWVNHXQX-IBGZPJMESA-N 447.564 5.100 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3csc(-c4c(F)cccc4F)n3)s2)cc1 523541112 CIVVGMWZGFXZEO-UHFFFAOYSA-N 438.484 5.260 30 20 IKED COCCCN(Cc1ccncc1)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 523951221 SVOKNVWLVKMBJV-UHFFFAOYSA-N 435.911 5.078 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cncn1-c1ccc(F)cc1 524388538 JTVUEZLSEOVPHR-UHFFFAOYSA-N 426.451 5.023 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]1c1ccccc1Cl 524437876 FAWDZXTUBSADHH-VWLOTQADSA-N 445.950 6.468 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1NC(=O)Nc1ccccc1 525000172 HUUQUDRWMBLLMR-GOSISDBHSA-N 426.501 5.739 30 20 IKED COc1cccc(Oc2ncccc2CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 525516851 LTCCDWATAAPGMF-KRWDZBQOSA-N 448.548 5.598 30 20 IKED CN(c1ccccc1)C1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 531216889 VBLIGNDRDIQGRX-UHFFFAOYSA-N 429.495 5.231 30 20 IKED CCN(Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1)[C@H](C)c1ccc(C#N)cc1 533248145 LLSPLAMGIIRTCR-LJQANCHMSA-N 432.593 5.899 30 20 IKED CCc1ccccc1N(C(C)=O)c1nc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)cs1 535206548 NJPIOVOMAWJZQZ-ZCYQVOJMSA-N 444.604 5.662 30 20 IKED Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 535295872 YAWZFRGEWQXXJW-UXHICEINSA-N 438.453 5.316 30 20 IKED Cc1nc([C@@H](NCc2cccc(OCc3cccc(C#N)c3)c2)c2ccc(Cl)cc2)no1 536397346 VGRGEBLCIWMMAD-DEOSSOPVSA-N 444.922 5.361 30 20 IKED C[C@H](CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C(=O)c1ccc(Cl)cc1 539682481 NXMFOTAGDHNJEZ-GOSISDBHSA-N 446.934 5.833 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 541041722 GYQAOEWZSQYFCM-HNAYVOBHSA-N 449.498 5.563 30 20 IKED CC(C)c1ccc(OC2CCN(C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)CC2)cc1 542033131 UFHSBDIYEYRMIW-UHFFFAOYSA-N 447.514 5.082 30 20 IKED N#C[C@@H](NC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1)c1ccc(Cl)c(Cl)c1 544225517 VPMBSCMKDHDLSG-OXJNMPFZSA-N 431.367 5.181 30 20 IKED CNC(=O)Nc1cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)ccc1F 552312375 FXNFBOAVRFIPFH-UHFFFAOYSA-N 438.846 5.147 30 20 IKED CC1(C)C(=O)Nc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)ccc21 559652414 YSASNHCOVFHZIW-UHFFFAOYSA-N 433.455 5.193 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCC(F)(c3cccnc3)CC2)cc1Cl 560126326 WZHBYALTALNQPC-UHFFFAOYSA-N 435.886 5.500 30 20 IKED CC[C@H](c1ccccc1OC)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 562099251 GGABQSQQWKHCAI-RUZDIDTESA-N 443.547 5.955 30 20 IKED CN(CCc1nc(-c2ccccc2)no1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 567368960 LINIYGJGNLOIDU-UHFFFAOYSA-N 439.475 5.107 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1C 580361769 LJRDWLQKCBGXFZ-KDURUIRLSA-N 432.490 5.274 30 20 IKED CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CNc1ccc(Oc2ccnc(C#N)c2)cc1 582936140 QZHPDMCKVKDBHH-UHFFFAOYSA-N 441.318 5.123 30 20 IKED N#CCCCn1cc(-c2nc(Cc3ccc(OCc4cccnc4)cc3)no2)c2ccccc21 584197472 NLBOMPXLSUPQIW-UHFFFAOYSA-N 449.514 5.560 30 20 IKED COc1ccc(CNc2ccc(Oc3ccnc(C#N)c3)cc2)cc1OCc1cccnc1 589324410 IAPMJLXSYHJXPW-UHFFFAOYSA-N 438.487 5.340 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(Cc1ccc(F)cc1F)C1CC1 590855270 OCBCAUSPYYEUDD-VXGBXAGGSA-N 444.366 5.548 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)CCC(=O)c3ccc4c(c3)OCCCO4)c2)cc1 591206831 SBAZGSYOHAXFQN-UHFFFAOYSA-N 442.471 5.113 30 20 IKED CCN(CC)c1nc2sc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)cc2s1 592975487 GVZHYLCEXMNMOT-NSHDSACASA-N 430.555 5.443 30 20 IKED C[C@H](C#N)CN(C)C(=O)NC[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 603746193 XTGWLQMPVKKKKR-KDOFPFPSSA-N 429.351 5.408 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H]3CCN(c4ccc(Cl)cc4)C3)cn2)c1 604468478 GPJIUETXOMSNBU-GOSISDBHSA-N 447.926 5.047 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nnc(CCC2CCCCC2)o1 608929751 OUZGAHFPZRLMTM-QGZVFWFLSA-N 442.585 5.019 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)c1 609066602 FPNXHKXLEHRFKO-UHFFFAOYSA-N 425.869 5.179 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 609376985 MNFAJCGYPBWGFJ-GOSISDBHSA-N 427.529 5.641 30 20 IKED Cn1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c(-c2ccccc2Cl)n1 609410194 LOILHRLRITVOIL-UHFFFAOYSA-N 429.867 5.052 30 20 IKED C=CCN(C(=O)[C@H](C)Cc1ccccc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 609966296 VSJWPKZGUOSQAM-OAHLLOKOSA-N 425.485 5.255 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCc2coc(-c3ccccc3)n2)c1 610185102 ARJJAKYSPMNYPT-UHFFFAOYSA-N 429.863 5.589 30 20 IKED N#Cc1cccc(-c2nnc(CSc3ncnc4sc(-c5ccccc5)cc34)o2)c1 610217110 QXGRKGXNHQFNSR-UHFFFAOYSA-N 427.514 5.572 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(OCc2ccccn2)c1 612422971 CXLYWIUAJXSGIP-UHFFFAOYSA-N 427.957 5.273 30 20 IKED Cc1c(C#N)c(NC(=O)CCN[C@H](C)c2cc3ccccc3o2)n(Cc2ccco2)c1C 612494661 FAOAAFNGKWGDCD-QGZVFWFLSA-N 430.508 5.044 30 20 IKED N#CC1(c2ccc(C(=O)N[C@@H](CC(F)(F)F)c3ccc(Br)cc3)cc2)CC1 612502355 XIJQQHIQCQVBHC-KRWDZBQOSA-N 437.259 5.428 30 20 IKED N#Cc1ccc(-c2nc(Cc3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)no2)cn1 612908120 HBNAKHPJLQIXLA-UHFFFAOYSA-N 438.878 5.100 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(-c4ccc(F)cc4)nc3C)n2)cc1 613315633 VNZVSHSWXWRVII-GOSISDBHSA-N 433.533 6.180 30 20 IKED C=CCn1c(S[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)nnc1-c1ccco1 614012309 LIWPAUYNXBXSRB-QGZVFWFLSA-N 430.533 5.830 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)nnc1-c1ccoc1C 645083804 ZXSNZIIWULQKEQ-CQSZACIVSA-N 425.489 5.383 30 20 IKED C=CCC[C@H](NC(=O)N1CCc2c(cccc2NC(C)=O)C1)c1ccc(C(F)(F)F)cc1 676727078 NWRUAFCUPVUVDD-NRFANRHFSA-N 445.485 5.439 30 20 IKED O=C(CCc1cccc(C(F)(F)F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 680968404 LTJODHFXJNTKPD-STQMWFEESA-N 435.330 5.664 30 20 IKED CC1(C)[C@H](C(F)(F)F)CCN1C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 682444865 YEYJLYUSTQWNGS-FXPVBKGRSA-N 428.339 5.268 30 20 IKED C=CCN(C(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1)C(C)C 726849385 PJVNNWSAYICELZ-UHFFFAOYSA-N 425.916 6.002 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)c1 727594267 BHQAIPBLBTXQQG-QFIPXVFZSA-N 443.588 5.285 30 20 IKED C#CC[C@@H](OC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C)c1ccccn1 727775751 OEZCXZFFYUIJQY-OAQYLSRUSA-N 428.319 5.041 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)/C=C/c1nc2ccccc2s1 727997200 UNVSIEBWEOOGJH-VAWYXSNFSA-N 425.513 5.707 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 728668817 AJCKXGXMGMEORA-LJQANCHMSA-N 442.515 5.966 30 20 IKED C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 729319094 GUFDZYAEPKNFRX-GAJHUEQPSA-N 441.918 5.449 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)c2)cc1 729655676 DDCQPJVQNCOQGQ-UHFFFAOYSA-N 438.237 5.274 30 20 IKED COc1c(O)cccc1/C=C1/CCc2nc(-c3ccccc3Br)sc2C1=O 730435613 DXNGLYJQHFICOF-QXMHVHEDSA-N 442.334 5.499 30 20 IKED COc1cc(/C=C(\CC(=O)O)c2nc3cc(C(F)(F)F)ccc3s2)ccc1OCC#N 730438094 YXDVEVNBOPWLHE-MDWZMJQESA-N 448.422 5.241 30 20 IKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1C1CCC1 730460347 YQSUOJVXTYMDEG-LJQANCHMSA-N 443.519 5.094 30 20 IKED CC(C)Oc1ccc(Cl)cc1C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731072877 BKZZHPYUSJBROX-OAHLLOKOSA-N 446.956 5.317 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 731288039 OBNKRRMFABBREG-DSITVLBTSA-N 446.506 6.083 30 20 IKED N#Cc1ccccc1NC(=S)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 731568579 ANQNLAXCZCKSHG-QHCPKHFHSA-N 426.545 5.344 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC3CCN(CC4CCCCC4)CC3)cc2)cc1 732064658 YABJSRIBHHUJAK-UHFFFAOYSA-N 431.580 5.319 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 732596340 QOAIVAQGUHRUAI-FSSWDIPSSA-N 444.918 5.370 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N(CC)[C@H](c2ccc(C)cc2)c2cccnc2)cc1OC 732964232 UKVZUUGMDRXRBS-IXCFOFGDSA-N 442.559 5.615 30 20 IKED CC[C@@H](C#N)Oc1cc(CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ccc1OC 733302501 XZFWWOBJVCKSKV-LBPRGKRZSA-N 443.809 5.569 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Cc2cccc(OCc3ccccc3Cl)c2)c1 733771789 VALLKIDRSITWSP-JOCHJYFZSA-N 448.950 5.459 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1 733800947 AKKVMGBJBSGCGQ-XMMPIXPASA-N 434.584 5.136 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(C)c(Oc2ccncc2)c1 734705696 ONPBGMCXQZNXCB-JOCHJYFZSA-N 427.504 5.268 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 735002510 ZEYWTQWGSBZNOM-UHFFFAOYSA-N 435.867 5.825 30 20 IKED Cc1ccc(OC2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)cc1 735171574 DYYNBFKPXVAARE-SANMLTNESA-N 425.532 5.726 30 20 IKED COc1ccc(CN[C@H](c2ccccc2)c2ccc(Br)cc2F)cc1C#N 742368474 BNPLYNTYACKVLZ-JOCHJYFZSA-N 425.301 5.348 30 20 IKED CC(=O)N(c1nc(/C=C2/Cc3cc(Cl)ccc3C2=O)cs1)c1ccc(F)cc1F 742437583 OTBFGFWQJBITJU-JYRVWZFOSA-N 430.863 5.582 30 20 IKED CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 743093344 RZLQIPFPCOSZHV-NDEPHWFRSA-N 446.554 6.458 30 20 IKED O=c1c2c3c(sc2ncn1N=Cc1cc(Cl)ccc1OC1CCCC1)CCCC3 743421189 QUIXHOKUOOWOJR-UHFFFAOYSA-N 427.957 5.194 30 20 IKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)O[C@H](C)C(=O)Nc1ccccc1C#N 744677734 KLIBAVIRULFKJZ-GFCCVEGCSA-N 444.274 5.013 30 20 IKED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1c(Cl)cccc1Oc1ccccc1Cl 745551688 OPSIQNYOBFGRTE-PEBXRYMYSA-N 449.334 5.385 30 20 IKED CCOc1c(Cl)cc(C=NO[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc1OC 747827447 NGZFWFCXEYYZAF-GFCCVEGCSA-N 436.295 5.562 30 20 IKED Cc1[nH]c2ccc(Cl)cc2c1C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 751924862 BNBUYWQZCUJTKF-ZDUSSCGKSA-N 441.940 5.177 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 756515482 CBAMZOSQOHFBQZ-HNNXBMFYSA-N 441.940 5.716 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N[C@@H]3CC4(CCC4)Oc4ccccc43)s2)cc1 757722470 MCQIGDZNWYQTFU-HXUWFJFHSA-N 430.533 5.174 30 20 IKED C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CCO[C@@H](c2cccc(C#N)c2)C1 761758069 PXGJQCKMIVQCBR-BFUOFWGJSA-N 429.307 5.050 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccc(Br)cc1 766625433 MWHQBSLZNLZOFN-FZKQIMNGSA-N 436.334 5.424 30 20 IKED C[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)c1ccc(Br)cc1 770420376 WEZNREULFYRNDF-SUMWQHHRSA-N 426.339 5.338 30 20 IKED C#CCOc1cccc(NC(=O)N2CCC[C@H](c3nc(-c4ccccc4OC)cs3)C2)c1 772283612 YPXJFQWCYHLVAD-SFHVURJKSA-N 447.560 5.242 30 20 IKED C#CCCCCC(=O)OCc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1 773631995 HJDZYKKSPYFSHS-UHFFFAOYSA-N 425.337 5.371 30 20 IKED C=C(C)[C@H](NC(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1)c1ccc(F)c(F)c1 776183302 SZTGDBHVSJWJQH-GMAHTHKFSA-N 426.463 5.120 30 20 IKED N#CCc1ccccc1CC(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 776744734 BRDZXKRTBOJWPU-JOCHJYFZSA-N 427.935 5.378 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NOCCC(F)(F)F)cs1 777459079 FWVYYHWAYLMEFC-UHFFFAOYSA-N 425.354 5.149 30 20 IKED CC(C)(C)OC(=O)N1CCCc2c(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cccc21 778942146 XZKOUBSWQOXQNG-LADGPHEKSA-N 445.563 5.286 30 20 IKED N#Cc1cc(N[C@H](c2cccc(F)c2)c2cccc(Cl)c2)ccc1N1CCC(O)CC1 779160396 VTNFXLKEDKPMIZ-VWLOTQADSA-N 435.930 5.513 30 20 IKED N#Cc1ccc(CN[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)nc1 780329196 IJZGUGRJTBZZLX-HXUWFJFHSA-N 444.844 5.095 30 20 IKED C[C@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)c1nnc(-c2ccccc2F)s1 783075911 MLFSNVAKGRURAZ-AWEZNQCLSA-N 449.463 5.306 30 20 IKED O=C(COC(=O)c1ccc(C(F)(F)F)c(F)c1)Nc1ccc(Cl)cc1C(F)(F)F 784245221 FWKBVQBGDLJYOJ-UHFFFAOYSA-N 443.702 5.312 30 20 IKED CC(C)[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H](O)c1ccccc1 788579299 YBPXEBCSUGXDDR-FTJBHMTQSA-N 443.547 5.211 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@@H](C#N)c1cnc2ccccc2n1 792115043 SFESVWQCYXGLMO-PBHICJAKSA-N 448.935 5.436 30 20 IKED COc1ccccc1-c1ncc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)cn1 792858133 IJPJJXRVBPEZCY-RCCKNPSSSA-N 449.535 6.185 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2sc(SC(F)F)nc2C)cc1 796632940 YMSIIBLUBXRNCE-IAQYHMDHSA-N 437.537 5.170 30 20 IKED N#Cc1cccc(-n2ccc(C(=O)Nc3ccccc3SC[C@@H]3CC3(Cl)Cl)n2)c1 798400833 PZRRAAPDOGGXAX-HNNXBMFYSA-N 443.359 5.282 30 20 IKED N#Cc1ccccc1/C=C\C(=O)N(Cc1ccncc1)c1ccc(F)c(Br)c1 799505382 HUQIRGDITCUNTL-YVMONPNESA-N 436.284 5.101 30 20 IKED CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1 800115331 XKAOINIOUQOQSR-UHFFFAOYSA-N 438.535 5.261 30 20 IKED C=C(C)Cn1c(C2CCCC2)nnc1N1CCC(O)(c2ccccc2C(F)(F)F)CC1 802584929 PCSDAHREQHDOQT-UHFFFAOYSA-N 434.506 5.019 30 20 IKED CNC(=O)Nc1cc(NC(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F 803507406 MITNXGLUQPFBGD-DJWKRKHSSA-N 449.326 5.267 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)cc1 808815687 GUGZTSCHORIJOA-OZNIXHKMSA-N 447.538 5.938 30 20 IKED C#C[C@@H](NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc(Cl)cc1 812352633 TVQPGACMJMFREF-GOSISDBHSA-N 448.737 5.510 30 20 IKED N#CCCC[C@H](NC(=O)COc1ccc(C2SCCCS2)cc1)c1ccccc1 817318701 GQNFFESLOOBURP-NRFANRHFSA-N 426.607 5.485 30 20 IKED N#Cc1cc(N[C@H](c2cccc(Br)c2)C2CCC2)ccc1N1CCC(O)CC1 863995867 IKOSGNMDGNZGHS-QHCPKHFHSA-N 440.385 5.235 30 20 IKED N#C[C@H](C(=O)CSc1n[nH]c(/C=C/c2ccccc2)n1)c1nc(-c2ccccc2)cs1 914530672 NWRGEXDGBYPLFK-IENJSVCTSA-N 443.557 5.067 30 20 IKED O=C1Nc2c(Cl)cc(Cl)cc2C1=NNc1nnc(-c2ccccc2)n1-c1ccccc1 915051797 SEOPNBHLMHBEMY-UHFFFAOYSA-N 449.301 5.009 30 20 IKED CN1CCc2nc3ccccc3c(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c2C1 915180809 RYJDKXYAYPXCMH-QHCPKHFHSA-N 432.527 5.130 30 20 IKED CN(Cc1ccc(Br)s1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915354047 UCTQGSLMHHEFIH-IBGZPJMESA-N 440.366 5.830 30 20 IKED Cc1c(C(=O)O)oc2c1C(=NNc1ncnc3scc(-c4ccc(F)cc4)c13)CCC2 915954895 PEEJWZRZEJNJOX-UHFFFAOYSA-N 436.468 5.250 30 20 IKED COc1ccc(-c2nn(Cc3ccccc3)cc2C=NNCc2cccc3cccnc23)cc1 915963150 NQMCVVKMPLBCTJ-UHFFFAOYSA-N 447.542 5.279 30 20 IKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc([C@@H](C)CC)cc2)NC1=O 916232752 PVEVFSYMYHQOOD-KKSFZXQISA-N 439.581 5.237 30 20 IKED CC[C@@H](C)c1ccc(N=C2NC(=O)[C@@H](CC(=O)Nc3cccc(C(F)(F)F)c3)S2)cc1 916232948 WEUBCTNGXZTFMJ-FZKQIMNGSA-N 449.498 5.467 30 20 IKED N#C[C@@H](C(=O)CSc1ccc2ccccc2c1)C(=O)Nc1ccc(SC(F)F)cc1 916888029 SUGYOSFWQYITJX-IBGZPJMESA-N 442.512 5.594 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 916902010 BFQUBWLLNREADU-QHCPKHFHSA-N 439.515 5.025 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2sc(C)nc2-c2ccc(C)cc2)cc1 916948116 SCGWDUQMITUJQQ-HTAPYJJXSA-N 445.588 5.831 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)cc1 916950639 VEKQFLOYWJGGNV-JXQFQVJHSA-N 441.531 5.696 30 20 IKED N#C[C@@H](C(=O)CCCOc1cccc(Br)c1)c1nc2cc(Cl)ccc2s1 917045825 AORGGPAASLNAMX-HNNXBMFYSA-N 449.757 5.748 30 20 IKED Sc1nnc(-c2ccccc2Br)n1N=Cc1cc(-c2ccccc2)cs1 917540040 KQIONIFDJSFDCK-UHFFFAOYSA-N 441.379 5.607 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)/C=C/c2ccc(Br)o2)cc1 918630798 ZEOGKJVWCVGHKD-PKNBQFBNSA-N 439.284 5.295 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccnc(OCc3ccccc3)c2)cc1 920111076 ISGSQKRAYPWFJA-WZONZLPQSA-N 427.504 5.135 30 20 IKED Cc1nn(CC(C)C)c(C)c1CCC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920803765 BSDZSJORQILVRG-KRWDZBQOSA-N 442.535 5.367 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc(N(C)C)c4ccccc34)cc2)CCC1 1788991021 TUBQCAJGAPNTLG-UHFFFAOYSA-N 427.548 5.230 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccnc(C)c3)CCC2)cc1 1789453352 XKLCTTJNFJIOKM-DEOSSOPVSA-N 431.580 5.225 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)CCCCC)[C@@H]1c1cccnc1 1802500854 DDEGNKJQJOSLNU-AKIFATBCSA-N 427.633 5.296 30 20 IKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1C1CC1)c1ccccc1 1803517004 OHDVBUDYIKDXQF-UHCVVMIDSA-N 440.587 5.013 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)CCc3ccccc3Cl)C2)CC1 1809355277 DZGBWMIGBOMPPG-QFIPXVFZSA-N 443.031 5.272 30 20 IKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CC2CCC(C)(C)CC2)CC1 1824502342 IIOCVODSOKJXJT-DEOSSOPVSA-N 446.676 5.195 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCCCC2(F)F)CC1 1824642260 OAIPOGLKSYOHEV-LEWJYISDSA-N 438.603 5.424 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](CCC)n2cccc2)CC1 1827630159 SVHJMTBZLFKEHU-UBFVSLLYSA-N 439.644 5.217 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1828829569 JLAIPDMBGPBGFZ-RMUDUWAUSA-N 447.623 5.315 30 20 IKED Cc1ccccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1829946705 HYWCJHIIZUSVJY-QFQXNSOFSA-N 443.591 5.169 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](CC)c2ccccc2)CC1 1831444180 KJZQTGOXENCYEL-YADHBBJMSA-N 432.555 5.011 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(C)c(C)c2)cc1 22695445 JVAUSQMOMIBWFT-UHFFFAOYSA-O 425.524 5.482 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1C#N 24029336 HSPORVDFHDTUMZ-UHFFFAOYSA-N 434.546 5.119 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)n1 26143520 SPLRXPFSAURHHR-VXGBXAGGSA-N 427.879 5.292 30 20 IKED COc1ccccc1-c1nnc(SCC(=O)c2ccc(C#N)cc2)n1-c1ccc(C)cc1 137161976 BLKYOHYLQVSHIL-UHFFFAOYSA-N 440.528 5.098 30 20 IKED CC(C)c1ccc(N(C(=O)COc2ccccc2C#N)c2nc3ccccc3s2)cc1 138713548 FJMSCXZSDBTMKH-UHFFFAOYSA-N 427.529 6.035 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NCc1cccc(OCCCC#N)c1 237496096 ZACBAIRSPYJOCI-INIZCTEOSA-N 425.985 6.305 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)cc1OC 303129031 OXABGTGHRHJIJU-XYOKQWHBSA-N 442.943 5.046 30 20 IKED Cn1c(C(F)F)nc2cc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)ccc21 409455772 IHSDAEGKBGDLDF-UHFFFAOYSA-N 432.430 5.214 30 20 IKED Cc1ccc(-c2ccnn2C)cc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 410192588 QUNXUTJAKHZZFG-UHFFFAOYSA-N 426.451 5.451 30 20 IKED Cc1c(C#N)c(NC(=O)CSCc2cccc(OC(F)F)c2)n(Cc2ccco2)c1C 426541658 BSNBCYXSUUDOJI-UHFFFAOYSA-N 445.491 5.091 30 20 IKED C=CCN(C(=O)c1ncncc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 428810792 YRKBGSKFJBDJJP-UHFFFAOYSA-N 425.728 5.393 30 20 IKED N#CCSc1cccc(C(=O)Nc2ncc(Cc3cccc(Br)c3)s2)c1 429792872 LBEQOQFWPWDGJG-UHFFFAOYSA-N 444.379 5.364 30 20 IKED Cc1c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cnn1-c1ccccc1F 435373619 FMJVTLIEUNHPPD-UHFFFAOYSA-N 426.451 5.431 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 436348038 ZNPFDTDCKMXJAC-RXVVDRJESA-N 449.963 5.566 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(NC(=O)NC3CC3)c2)cc1F 437479112 STPOWNGWDCIMFX-UHFFFAOYSA-N 430.439 5.026 30 20 IKED COc1cccc(-c2ccc(CNC(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)c1 438049832 BUPPMELAIFICFI-SFHVURJKSA-N 431.561 6.078 30 20 IKED COc1ccc(C[C@H](NC(=O)N[C@H](CCC#N)c2ccccc2)c2ccccc2)cc1OC 438862304 VGNUOKJWMDJPOV-RPWUZVMVSA-N 443.547 5.332 30 20 IKED CCc1nnc(-c2cccc(NC(=O)c3ccccc3Sc3ccccc3C#N)c2)o1 440592936 HXDATJKCXJWDQZ-UHFFFAOYSA-N 426.501 5.574 30 20 IKED C=CCC[C@@H](NC(=O)N1CCO[C@H](c2cccc(O)c2)C1)c1ccc(C(F)(F)F)cc1 441546784 VKZYLAFNNOIAIH-RTWAWAEBSA-N 434.458 5.201 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccccc1SCC(N)=O)c1ccc(C(F)(F)F)cc1 442218174 QOYUYDYYAVNGJP-INIZCTEOSA-N 437.487 5.112 30 20 IKED C=CCn1c(SCc2coc(-c3c(F)cccc3F)n2)nnc1-c1cccc(OC)c1 443418695 SRBJZNCEUQBFOV-UHFFFAOYSA-N 440.475 5.365 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CCCC(=O)c1ccc(Br)cc1 446041636 DSLOICKCQWTMEY-OAHLLOKOSA-N 445.382 5.693 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1Cl 446840913 KDDPDILNURDKGQ-QFIPXVFZSA-N 446.894 5.494 30 20 IKED N#C[C@@H]1N(Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CCC[C@]12CCCCO2 447918587 ZQRIFLUKSKQPLQ-SIKLNZKXSA-N 426.973 5.143 30 20 IKED C=C(C)Cn1c(CCCc2cccs2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 460935143 VDFSQZFMWROSHD-HXUWFJFHSA-N 426.586 5.172 30 20 IKED C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]1c1cccc(F)c1 460945805 MIASSNBIXVIVPV-HXUWFJFHSA-N 438.572 5.636 30 20 IKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)CS[C@H](C)CO)c3C#N)C(C)(C)C2)o1 463221606 IAJQRLYPQWVBLH-DDJMYBDESA-N 442.606 5.352 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)ccc1NC(=O)c1cccs1 464476380 PHZFOGMQCAACKV-HNNXBMFYSA-N 429.423 5.213 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)cc1 464745740 KZCQRLNFXXUNLM-SFHVURJKSA-N 438.487 5.124 30 20 IKED COc1cc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c(OC)cc1Cl 465411452 YYPDDFOSGOSGJT-UHFFFAOYSA-N 438.915 5.004 30 20 IKED C=CCN(C(=O)c1cncc(-c2ccccc2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 466393036 RGSFSFBBRWWFNV-UHFFFAOYSA-N 442.500 5.613 30 20 IKED COc1ccc([C@H](NCc2ccc(F)c(C#N)c2)c2ccccc2)cc1Br 467775210 FUXQAOPRVUBCSJ-JOCHJYFZSA-N 425.301 5.348 30 20 IKED Cc1ccc(-c2nnc([C@H](C)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)o2)cc1C 468773725 BASJACITQWUULU-SFHVURJKSA-N 429.524 5.110 30 20 IKED COc1ccc2c(c1)CN(C(=O)CCCCOc1cccc(C#N)c1)[C@H](c1ccccc1)C2 469457050 NLFYXSBNDOQZFJ-MHZLTWQESA-N 440.543 5.442 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(Cl)c(N)c2Cl)cc1 469566852 JYGLWXINUBANMB-UHFFFAOYSA-N 426.303 5.473 30 20 IKED N#CCCCn1cc(C(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)c2ccccc21 469687182 HVEXIAGQKDBXEM-UHFFFAOYSA-N 434.543 5.812 30 20 IKED Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1 470240963 CCJVXGQDZJEBQG-IZZNHLLZSA-N 426.516 5.096 30 20 IKED C=CCc1cc(CNC(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)cc(OC)c1OC 470481036 ZKHZYJPRWWFCFK-SFHVURJKSA-N 431.536 5.055 30 20 IKED C[C@@H](Nc1ccc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc1Cl)c1ccccc1 472026924 JYUCCSUFPQMZKU-UTKZUKDTSA-N 428.923 5.706 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 474527934 YSXJOJNJYYYBNJ-QFIPXVFZSA-N 436.899 5.130 30 20 IKED COCc1ccc([C@@H]2CCCN2c2c(C#N)cnc3c(Br)c(C)ccc23)o1 480112641 DZYVDNRVIBKNAX-KRWDZBQOSA-N 426.314 5.258 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H](C(F)(F)F)[C@@H]2C)cc1 480635778 LHUZPSWGXQXQNQ-KBXCAEBGSA-N 433.430 5.554 30 20 IKED N#CCCN(CC(F)(F)F)C(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1 482674995 RCFNBKYUXNVBGD-UHFFFAOYSA-N 441.409 5.584 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1ccc(F)cc1Br 485768338 HZAHLYTZTOIEIL-UHFFFAOYSA-N 440.272 5.137 30 20 IKED Cc1ccc(-n2nc(C)c(CC(=O)N[C@@H](CCCC#N)c3ccccc3)c2C)cc1Cl 487430289 PQEAFWOXFHXNTI-DEOSSOPVSA-N 434.971 5.545 30 20 IKED C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 488021917 FMPWNQAGJZNANN-BVZFJXPGSA-N 441.506 5.134 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C(=O)N3CCCCC3)c3ccccc3)o2)cc1 489801405 ACCLGWUCHYKTPN-OAQYLSRUSA-N 435.549 5.147 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](COc1ccccc1F)C(C)(C)C 490311701 ACBQAEIEZUPSHB-IIBYNOLFSA-N 429.561 5.693 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)c1ccc(OCc2cccc(C)c2)cc1 492704413 OGLCWRHEQLCPBJ-OAQYLSRUSA-N 448.563 5.508 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)cc1 494256672 KWQADSIETWFGNR-LJQANCHMSA-N 430.957 5.031 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c(C)c1 498842610 ZLXKLOWBZAHVID-FQEVSTJZSA-N 436.625 5.497 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccc[nH]3)cc2)nc1 499346640 QBFSYKCEJNVZCO-UHFFFAOYSA-N 442.862 5.210 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)c1ccc(Br)cc1 499615935 FTCMBUYONCWZRG-OAHLLOKOSA-N 436.309 5.559 30 20 IKED Cc1nc(COc2ccccc2C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)cs1 501142768 RPQPXVNUVZOXQN-UHFFFAOYSA-N 432.530 5.278 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 503196953 GUZLULPPQHMFJR-RBUKOAKNSA-N 430.577 6.898 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccccc2)nc1)c1nc(-c2c(F)cccc2F)cs1 503417279 FFWVCTQBKDHAQM-MRXNPFEDSA-N 433.439 5.766 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OCc4cccnc4)c3)n2)cc1 503428766 DHXWDEOJYQLHCP-JOCHJYFZSA-N 441.512 5.283 30 20 IKED N#C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1cccc(Cl)c1Cl 505337440 IMSLLUKFBDOQFY-HXUWFJFHSA-N 448.313 5.236 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](c1ccccc1)[C@@H]1CCCc2ccccc21 505490840 IDJTVPIKAODGGZ-IXCJQBJRSA-N 440.591 5.324 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnn(-c3cccc(C)c3)c2C)cc1 505672871 KUAHWGGIEZWEOC-UHFFFAOYSA-N 438.487 5.414 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H](CO)c2ccc(Cl)cc2)cc1Cl 506476449 FXGMDVKYKPOVIY-NHCUHLMSSA-N 425.315 5.363 30 20 IKED CCCOc1ccc(-c2nc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cs2)cc1 507032501 XZVQAEZVGIOFPW-MRXNPFEDSA-N 431.439 5.503 30 20 IKED C=CCN(CC(=O)Nc1c(C)cccc1C(C)C)CC(=O)Nc1c(C)cccc1C(C)C 507332852 RWEKQZKFYNIBSO-UHFFFAOYSA-N 435.612 5.615 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCSc3c(F)cccc32)cc1 508292147 LQWKKEYKJRKORU-HXUWFJFHSA-N 449.507 5.857 30 20 IKED Cc1ccc(-c2csc3ncnc(SC[C@H](O)COc4ccc(CC#N)cc4)c23)cc1 508499944 APXMYBNXAIVNDO-LJQANCHMSA-N 447.585 5.265 30 20 IKED COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N2CCC(C)(C#N)CC2)cc1 509363765 HSNYTCNBHUCSTE-JZJYNLBNSA-N 437.543 5.496 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccnc(OC3CCCC3)c2)cc1 509443175 XZAGIVBHWDGPAG-UHFFFAOYSA-N 443.572 5.497 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)c1ccccc1OC(F)F 509566375 FCTQBMNCHIDAMZ-UHFFFAOYSA-N 430.432 5.061 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cnc3ccccc3c2C(F)(F)F)cc1 509682511 OXLXDYHBEKZJCL-UHFFFAOYSA-N 433.389 6.170 30 20 IKED N#Cc1ccc(OC2CCC(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)CC2)nc1 509945012 RGHOPWMKIXFJCD-XUNZJTMSSA-N 443.572 5.293 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)c2ccccc2Cl)cc1 511339047 UUTHNMYCBBYAJS-QFIPXVFZSA-N 437.902 5.306 30 20 IKED N#C[C@H](NC(=O)c1cscc1Br)c1ccc(OCc2ccccc2)cc1 511526123 ZFHBKRCSCCTWTC-IBGZPJMESA-N 427.323 5.084 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)NCc2nc3cc(Cl)ccc3s2)c1 513469781 SBXDGKWMKJOVGF-UHFFFAOYSA-N 433.920 5.330 30 20 IKED Cc1ccc(-n2ncc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)c2C2CC2)cc1Cl 513666016 JHNLNMIACKMVKX-KRWDZBQOSA-N 429.911 5.088 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2F)C(C)C)nc2sc(C)c(C)c2c1=O 514773897 MIOUSHBVPFXUHR-GOSISDBHSA-N 445.585 5.155 30 20 IKED C=C(C)CN1CCC(NC(=O)Nc2cc(F)ccc2Oc2ccc(C)cc2OC)CC1 517325258 LFCFMXYJWSIQAN-UHFFFAOYSA-N 427.520 5.097 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(F)cc2cccnc12 517459840 VVTGGUFTVXITIL-OAHLLOKOSA-N 425.554 5.498 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 518244724 ASHFRQFTEUOTOS-CQSZACIVSA-N 447.482 5.479 30 20 IKED C=CCN1CCC(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CCC3)CC1 518501038 NLZXGFDUQXLSOM-VHEBQXMUSA-N 427.548 5.085 30 20 IKED C=CCN(CCc1ccccc1)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 520130138 AQIMAPIBHQSAAV-UHFFFAOYSA-N 446.513 5.194 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 520855412 LXOLVKICFIRVHM-KBXCAEBGSA-N 431.508 5.739 30 20 IKED N#CCCCn1cc(-c2nc([C@H](F)c3ccc(C(F)(F)F)cc3)no2)c2ccccc21 521685743 KPAADAOMDMKTCV-LJQANCHMSA-N 428.389 6.073 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 523781927 YCVLCEXMYJQFMI-UHFFFAOYSA-N 444.922 5.684 30 20 IKED C=CCn1c(S[C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)nc2ccccc2c1=O 525047157 QONMXFOYRNGELV-CQSZACIVSA-N 438.940 5.063 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)N(C[C@@H](C)C#N)C1CC1 533599159 OMSPHJIZRYNVAY-INIZCTEOSA-N 433.531 5.888 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccc([S@](C)=O)cc1 534889730 IXLQGJYXIQAZRL-FOGNVHKLSA-N 438.936 5.232 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 537897476 QAHVXAKCKHMPJG-UTKZUKDTSA-N 447.348 5.064 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 540463029 CFOZCQIOCAPZNL-NFBKMPQASA-N 434.948 5.623 30 20 IKED Cn1cc(-c2ccc(F)c(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)c2)cn1 542002093 HMWHVHYWYGUOHR-UHFFFAOYSA-N 428.492 5.177 30 20 IKED C[C@@H](NC(=O)N(Cc1ccco1)C[C@H]1CCCO1)c1ccc(-c2cccc(C#N)c2)cc1 543016632 JCPQXHJJECIHEF-KBMIEXCESA-N 429.520 5.270 30 20 IKED FC(F)(F)c1cc(-c2noc(Cn3ccc(C(F)(F)F)n3)n2)cc(C(F)(F)F)c1 546996962 IPCNGJOGYYEJTG-UHFFFAOYSA-N 430.230 5.038 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@@H](c4ccccc4)CC3)c2)c1 550725612 SDUXZRAKUHOMMD-JOCHJYFZSA-N 438.531 5.612 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)N(CCc1ccccc1)Cc1ccncc1 558371317 INMBERRFSZLDKS-UHFFFAOYSA-N 432.527 5.153 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)Cc1cccc(Br)c1 561206327 PSLZDQYVYDHQIG-HUUCEWRRSA-N 432.387 5.454 30 20 IKED N#Cc1ccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2Cc2ccccc2)cc1 563793092 ZAZNRLGRWAZSFX-UHFFFAOYSA-N 425.458 5.034 30 20 IKED Cc1ncccc1CC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 568425354 BBDIRFUIZGCBLR-HNNXBMFYSA-N 444.297 5.390 30 20 IKED CCO[C@H](c1noc([C@H](C)Oc2ccccc2C#N)n1)c1ccc(F)cc1C(F)(F)F 570200500 HFCPKMCRIVBCTH-SGTLLEGYSA-N 435.377 5.365 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1cc(C#N)c2ccccc2n1 573602636 RMUDXCAKPKKSKP-UHFFFAOYSA-N 446.919 5.634 30 20 IKED C=CCn1c(-c2cccc3ccccc23)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 581160070 AHKPATUKRQISRC-OKXSDPAFSA-N 430.577 5.219 30 20 IKED COc1cccc(/C=C(/CC(=O)NC2(C#N)CCCCC2)c2nc3ccccc3s2)c1 585718275 QSPIIAGTYZZBCO-RGEXLXHISA-N 431.561 5.578 30 20 IKED CCn1cc(Br)cc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 588737741 JOAHLFGIWLUVHV-NSHDSACASA-N 436.281 5.162 30 20 IKED C=CCN(C(=O)c1cnc(-c2ccccc2)s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603730588 KUSJFNPFFMUTNZ-UHFFFAOYSA-N 448.529 5.675 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2cc(Br)ccc2[nH]1 604102631 MRDYMELQHORMKH-UHFFFAOYSA-N 447.292 5.550 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CNC(=O)Cc1cccc2ccccc12 604430086 SFUXGWJFPLEPKC-UHFFFAOYSA-N 449.510 5.110 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccccc2N2CCCC2)cc1 608792714 ZIOIGIILKYVHRL-UHFFFAOYSA-N 442.538 5.210 30 20 IKED C[C@H](CN(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1 609004862 NDOSQBRLRIYMRT-QGZVFWFLSA-N 447.922 5.205 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cc(C#N)cn1C(C)(C)C 609358279 BOYPGXYCPUPZGA-AWEZNQCLSA-N 442.972 5.684 30 20 IKED N#Cc1ccccc1N1CCCN(C(=O)Nc2cccc(Sc3ccccc3)c2)CC1 609398404 OEWCSULWXLZNHC-UHFFFAOYSA-N 428.561 5.454 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H]2CCOc3ccccc32)cc1 609422329 LJDPNVITNNEUQO-FQEVSTJZSA-N 427.504 5.019 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN([C@@H](C)c2ccccc2Cl)CC1 609434809 RZGCJWJAGFQDQF-ROUUACIJSA-N 443.016 5.645 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 609782282 ZYUTWPGDNMDOTL-UHFFFAOYSA-N 432.436 5.714 30 20 IKED C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](C#N)c1ccccc1Br 609993889 AXTSILNRRQLODA-YVEFUNNKSA-N 425.248 5.028 30 20 IKED CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 610018690 ZEJWGFZHXKYXBV-JOCHJYFZSA-N 434.927 5.801 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)o1 610860941 LVWRFOHXWKVBHA-ZDUSSCGKSA-N 428.514 5.001 30 20 IKED Cc1onc(-c2ccccc2Cl)c1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 613402016 ZNIUIGISAZYCMY-CYBMUJFWSA-N 426.810 5.538 30 20 IKED O=C(NCCc1ccc(C(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618499404 SKQYOBBADQGSEF-BETUJISGSA-N 436.318 5.020 30 20 IKED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F 619466122 UJHVPILVBQRLML-OALUTQOASA-N 439.275 5.040 30 20 IKED Cn1c(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc2cc(C(F)(F)F)ccc21 674460010 AKKLYFFRQKHHGG-QWRGUYRKSA-N 432.286 5.010 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)N[C@@H]3CCc4cc(C#N)ccc43)c2)cc1 683776230 PNUZVZXTQKOHBJ-HHHXNRCGSA-N 438.527 5.076 30 20 IKED N#C[C@H](C(=O)c1cc(F)ccc1-n1cccn1)c1nc2cc(C(F)(F)F)ccc2s1 684631955 ZUAFFYZQHJSMNJ-CQSZACIVSA-N 430.386 5.130 30 20 IKED Fc1cc(-c2nc(Cc3nc4ccccc4n3C(F)F)no2)cc(F)c1C(F)(F)F 685228603 MJXJICIDODFAMN-UHFFFAOYSA-N 430.283 5.369 30 20 IKED COc1cccc2cc(/C=C3/SC(=S)N(c4ccc(C#N)c(Cl)c4)C3=O)oc12 726627753 UYPJUUJKKRCWRI-RQZCQDPDSA-N 426.906 5.372 30 20 IKED CCCCCC(=O)Nc1ccc(C2=NNC(=Nc3ccc(OC)c(F)c3)SC2)cc1 727462262 ATPBYJYKCPOWCT-UHFFFAOYSA-N 428.533 5.081 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3cccc(OC4CCCC4)c3)n2)cc1 727955745 PNURDCSPVFGRMO-RFMKRLFESA-N 444.556 6.030 30 20 IKED C#Cc1cccc(NC(=S)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)c1 727981230 GNEIEAODMPIGMT-GJZGRUSLSA-N 433.499 5.109 30 20 IKED C=CCOc1ccc(/C=C\C(=O)NCc2ccc(-c3csc(C)n3)s2)cc1OC 728215803 NRNNLZTYQLEVLY-POHAHGRESA-N 426.563 5.083 30 20 IKED Cc1sc2nc3n(c(=O)c2c1-c1ccccc1)CC/C3=C/c1ccc(O[C@H](C)C#N)cc1 728699268 DVZNAEZYQPUZDN-ZHTGWBIJSA-N 439.540 5.669 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccsc2NC(=O)c2ccco2)cc1 731472671 JDVSIKRJCCUPPD-UHFFFAOYSA-N 429.457 5.510 30 20 IKED COc1cc(C)c(C(=O)/C=C/c2ncc(-c3cccc(Br)c3)[nH]2)cc1OC 731937782 MFHXZFOAPGCBNR-BQYQJAHWSA-N 427.298 5.061 30 20 IKED N#CCOc1ccc(CC(=O)Nc2nc(C3CC3)c(Cc3ccccc3Cl)s2)cc1 731985616 XSZCSSSCJNSGHL-UHFFFAOYSA-N 437.952 5.348 30 20 IKED Cc1cc(C)c(NC(=O)COC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c(Cl)c1 734586855 ZGSDUCRUTJBMCY-UHFFFAOYSA-N 448.906 5.203 30 20 IKED COc1cc(COC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)ccc1OCc1cccc(C#N)c1 735134640 QQOOBYHGJDMPJQ-VQTJNVASSA-N 447.453 5.558 30 20 IKED COc1cc(COC(=O)c2cnc(-c3ccco3)s2)ccc1OCc1cccc(C#N)c1 735142381 SBACDIOMBHGQKF-UHFFFAOYSA-N 446.484 5.219 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCCc3ccc(Cl)cc3C2=O)cs1 735232805 UMJMZUGVFJDICB-PDGQHHTCSA-N 436.964 6.392 30 20 IKED COC(=O)N(C)Cc1ccc(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 735364967 DJTVDWAOIMPEQZ-UHFFFAOYSA-N 430.464 5.193 30 20 IKED Cn1cc(/C=C\C(=O)c2ccc(SCC(F)F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 741843806 QMZMHNWQENQEDB-WDZFZDKYSA-N 429.448 5.249 30 20 IKED Cc1ccc(N2C(=O)CC[C@H](C(=O)[C@H](C#N)c3nc(C)cs3)[C@H]2c2cccs2)cc1 744010028 CBOJQCOZXJGOHE-WFXMLNOXSA-N 435.574 5.182 30 20 IKED C[C@H](CCc1cccc(F)c1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 744029015 PREDLFSKBSRFFC-XMSQKQJNSA-N 430.479 5.534 30 20 IKED N#Cc1cc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)c(Cl)c([N+](=O)[O-])c1 746483049 WKHWIGRFKRDKBP-UHFFFAOYSA-N 433.276 5.078 30 20 IKED C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 746806560 DHAQGGGIWAFPOV-IEEYFSLBSA-N 431.561 5.304 30 20 IKED COc1cc(/C=C/C(=O)N[C@H](CCC#N)c2ccccc2)ccc1OCc1c(C)noc1C 749034189 HOCBJLGEEVPVLI-HJSOSKBTSA-N 445.519 5.054 30 20 IKED CC[C@@H](C)Oc1cc(C=Nn2c(C)nc3sc4c(c3c2=O)CCCCC4)ccc1OC 749443568 HGNIODLPSSDNCT-OAHLLOKOSA-N 439.581 5.103 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1=S 751933008 RXZAODANMQILDX-FGZHOGPDSA-N 445.592 5.005 30 20 IKED Cc1ccc(C)c(-c2nn(CN3CCC[C@H]3[C@H](C#N)c3ccccc3)c(=O)c3ccccc23)c1 751933473 VUMVTMBVXZEMOH-SXOMAYOGSA-N 448.570 5.410 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1C#N 752305784 PSSHMTIWOULKKE-UHFFFAOYSA-N 449.486 5.159 30 20 IKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1cccn1Cc1cccs1 755524733 MTECKJKCVWPYIC-UHFFFAOYSA-N 429.574 5.104 30 20 IKED Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 756303374 VPLTWLIZZVNPJQ-PGRDOPGGSA-N 432.593 6.455 30 20 IKED C#CC[C@@H](NC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1)c1ccccc1 757062717 SPZMYGNTFRLWNM-XMMPIXPASA-N 438.531 5.163 30 20 IKED CCCc1c(NC(=O)NCc2cccc(O[C@H](C#N)CC)c2)cnn1-c1ccc(C)cc1 763901068 QQWMLGZTTQHZDY-NRFANRHFSA-N 431.540 5.136 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](O)c1ccc(-c2ccccc2)cc1 767764166 UKXCOGFYTLCBRJ-WZONZLPQSA-N 431.561 5.460 30 20 IKED COc1ccc(CN2CCC[C@H]2c2c(C)nn(CC(C)C)c2Cl)cc1OCCCC#N 770334805 IFRHGYIQCUSAAL-FQEVSTJZSA-N 445.007 5.529 30 20 IKED C[C@H](OC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)C(=O)Nc1ccccc1C#N 775236538 WSHIHOSHEPKWPH-KRWDZBQOSA-N 441.491 5.224 30 20 IKED C=CCOc1cccnc1C(=O)O[C@@H](C)c1cccc(NC(=O)Cc2ccc(C)cc2)c1 775239891 HFALCDVTCKPGOG-IBGZPJMESA-N 430.504 5.054 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(OC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 776964281 LEKIARKLGPVDPL-UHFFFAOYSA-N 430.891 5.391 30 20 IKED CC(=O)N(c1nc(COC(=O)c2ccc(C#N)c(Cl)c2)cs1)c1cccc(C)c1C 778534695 HPTWOLKQZVEGAA-UHFFFAOYSA-N 439.924 5.327 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCCc3cn(C4CCCC4)nc32)cc1 780486177 QJIOLCZHVHQQFQ-DQEYMECFSA-N 439.563 5.853 30 20 IKED O=C1/C(=C\c2scnc2C2CC2)CC2(CCOCC2)C/C1=C/c1scnc1C1CC1 782340696 DHSMYLXHRJXSBM-XFQWXJFMSA-N 438.618 5.981 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1 790394318 POCPEASYERXPNI-OAQYLSRUSA-N 430.451 5.248 30 20 IKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(CC(F)(F)F)C2=O)cc1 799210361 RANAOJCSCJNTPY-KRWDZBQOSA-N 449.498 5.134 30 20 IKED C=CC[C@@H](NC(=O)N1CCC(C)(c2ccc(Br)cc2)CC1)c1ccncc1 799589709 ZBIYBMMRDOGUDZ-HXUWFJFHSA-N 428.374 5.225 30 20 IKED N#Cc1cc(NC(=O)c2cccc3cccc(Br)c23)c(Cl)c([N+](=O)[O-])c1 808608042 YVJLCAHYAXZQIZ-UHFFFAOYSA-N 430.645 5.288 30 20 IKED N#Cc1c(F)cccc1/C=C(\Cl)c1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1 811688765 ROKUOUZZRPZZOJ-NVNXTCNLSA-N 425.847 5.538 30 20 IKED C=CCNC(=S)/C(=C(/O)c1ccc(CCC)cc1)[n+]1cc(O)cc(-c2ccccc2)c1 811722260 GIKGMHPSYOCQHV-UHFFFAOYSA-O 431.581 5.286 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 813216092 NFQYFACDKZPCQU-UCLAIMLFSA-N 447.457 5.179 30 20 IKED CC(=NNc1nncc2ccccc12)c1sc(-c2ccc(Br)cc2)nc1C 814706243 VOZJTFHFWBQZDG-UHFFFAOYSA-N 438.354 5.660 30 20 IKED C[C@@H](Nc1ccc([C@@H](O)C(F)(F)F)cc1)c1ccc(OC(F)F)cc1OC(F)F 864024074 XSPKTCITZUSOHA-RFAUZJTJSA-N 427.316 5.658 30 20 IKED N#CCCn1cc(C(=O)COC(=O)/C=C\c2ccc3ccc(Cl)cc3n2)c2ccccc21 912874685 ZCNYZCWRVXAFJQ-KHPPLWFESA-N 443.890 5.196 30 20 IKED Cc1ccc(-c2nnc(S)n2N=Cc2cc(C)c(OCc3ccccn3)c(C)c2)cc1 915943049 WDYVVGAKKMTXDZ-UHFFFAOYSA-N 429.549 5.015 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2nc(-c3sc(C)nc3C)cs2)cc1OC 916077643 QJSHWODEFZZUFB-VQHVLOKHSA-N 427.551 5.109 30 20 IKED CC[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1OC 916493171 IGEMBCBCBGDGNO-XMMPIXPASA-N 429.520 5.613 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cc1coc2cc(C)c(C(C)C)cc12 916899615 KPGUCXOFPLVTKA-QHCPKHFHSA-N 430.548 5.880 30 20 IKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)sc2cccc(F)c12 916904595 GXGSSDUUAIVSSK-KRWDZBQOSA-N 444.487 6.102 30 20 IKED N#C[C@H](C(=O)COc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1Cl 916930620 DZGSVAIPSQRBLM-LLVKDONJSA-N 432.090 5.027 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4ccccc4Cl)n3)n2)cc1 916971647 CPQDUSFVUYOZKM-SFHVURJKSA-N 449.988 6.314 30 20 IKED N#C[C@@H](C(=O)/C=C\c1ccc2c(c1)OCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996125 KTQFTYDJYHADOU-CJEWSFNXSA-N 443.311 5.735 30 20 IKED COc1ccccc1CN(CC(=O)[C@@H](C#N)c1nc2ccccc2s1)Cc1cccs1 917029745 OZJJWBCPIHVGNY-LJQANCHMSA-N 447.585 5.245 30 20 IKED COc1ccc(COCC(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 917033032 ZLFCHYVMXMANLU-YVXFQLMNSA-N 436.577 5.013 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccsc2)C1=O)Nc1ccc(F)cc1 917674308 MDUWJPKQMBARDN-IBGZPJMESA-N 439.537 5.048 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC([C@H](O)c2ccccc2)CC1 919915491 KZXIBWUUPBSINO-AREMUKBSSA-N 441.531 5.637 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc4cc(OC)ccc4c3)n2)cc1 920139391 SUPVSDFWUHFTQK-QPIIJUGTSA-N 440.524 5.870 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCC(=O)c3ccc4c(c3)CCCC4)n2)cc1 920141949 NWCQUUZNYLHGNT-JOCHJYFZSA-N 439.540 5.400 30 20 IKED C[C@H](NN=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)c1ccccc1 920385645 FBOVZALFYRLRAA-IBGZPJMESA-N 434.499 5.330 30 20 IKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc2nc(O)oc2c1 1668190309 VVUUJFLZUZDEJZ-MRXNPFEDSA-N 442.475 5.061 30 20 IKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)C4CCC(C(F)(F)F)CC4)CCC3)cc2)CCC1 1792227607 DCSNIGFVBRBCOC-UHFFFAOYSA-N 447.501 5.183 30 20 IKED Cc1ccsc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1816350894 GXJDIUICEOPUHQ-OXJNMPFZSA-N 447.564 5.026 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3occc3c2)[nH]n1 1819305685 NJGRQJIPBYATHG-CTNGQTDRSA-N 432.524 5.230 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CSc2c(C)cccc2C)[nH]n1 1821922224 GBHPRXGKWHLJLD-QUCCMNQESA-N 440.613 5.023 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c4c(Cl)cccc34)CC2)C1 1823701229 DHEGTHNWMIAYGH-JOCHJYFZSA-N 439.987 5.021 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc(C)cc(F)c2)CC1 1828829834 ISUNSEOSORFWRR-DQEYMECFSA-N 440.603 5.065 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccoc3s2)CC1 1829067677 UQZJKHJNPLQJEQ-HXUWFJFHSA-N 442.625 5.720 30 20 IKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C)c2Cl)CC1)C(F)(F)F 1832602510 BCAUVDOKDCJTHW-SFHVURJKSA-N 442.909 5.000 30 20 IKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccccc2)c(Cl)c1 10178768 QTPADYJWJYKCLU-UHFFFAOYSA-O 431.915 5.573 30 20 IKED CC(C)(C)c1ccc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2cccc(O)c2)cc1 10826641 IQLWXAMHNHNAFU-UHFFFAOYSA-O 439.988 5.682 30 20 IKED C=C(C)CN(CC)C(=O)CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 11021036 PJCKQSVDRXMKCB-UHFFFAOYSA-N 441.000 5.164 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2)c2ccccc2)nnc1-c1ccccc1 11321184 SGAPCOFXRGMVRI-JOCHJYFZSA-N 426.545 5.603 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2CC)c1 26996672 GVELXKDYZIITMO-LJQANCHMSA-N 447.000 5.126 30 20 IKED Cc1ccc2nc(C)c(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cc2c1 28694070 WQVJRKDGHKULQT-UHFFFAOYSA-N 431.546 5.119 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)cc1 29201391 VWPURMXZTOHKKR-UHFFFAOYSA-N 441.491 5.001 30 20 IKED Cc1sc(NC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)c(C#N)c1C 69260279 SHNPGCNEHWFCOY-UHFFFAOYSA-N 441.622 5.372 30 20 IKED CCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1Cl 106223800 LNVGZVYOAAERGO-UHFFFAOYSA-N 431.923 5.613 30 20 IKED C[C@@H](NC(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1)c1ccc(C#N)cc1 108748455 YTYDADVGLOOPSH-GOSISDBHSA-N 433.531 5.203 30 20 IKED CC(C)CCN(CCC#N)C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 428885537 IBBVPLRKVHDDQA-UHFFFAOYSA-N 448.354 5.434 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c2ccc(Br)cc2n1 430604344 PUTTWROXUYNMNX-HNNXBMFYSA-N 428.355 5.550 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2 436003341 LNXPDWVJRUBMPE-UHFFFAOYSA-N 429.608 5.898 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCC[C@@H]4[C@@H](C#N)c4ccccc4)cc3)o2)cc1 436338294 BTKKDQPGWTUVLJ-LOSJGSFVSA-N 448.526 5.624 30 20 IKED C[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)N1CCSc2ccccc21 439556593 GHCCVQABPMPVHC-GOSISDBHSA-N 429.545 5.077 30 20 IKED Cc1ccc(Sc2c(Cl)cccc2NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1 443316874 HIAVPZORRRMBAY-UHFFFAOYSA-N 441.984 5.184 30 20 IKED Cc1nc2ccccc2n1Cc1cc(NC(=O)c2c(F)cc(C#N)cc2F)ccc1Cl 445797894 CZGUJSASABCEFZ-UHFFFAOYSA-N 436.849 5.449 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@H]1c1nc2ccccc2s1 460558291 ZCZYDHHFIHSLMW-NRFANRHFSA-N 445.592 5.522 30 20 IKED N#Cc1ccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2Cc2cccs2)cc1 461477536 DQDZTMUUMLBVAZ-UHFFFAOYSA-N 431.487 5.095 30 20 IKED CC(C)c1nn(C)c2sc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc12 463116754 FENVCKNBHTWQME-UHFFFAOYSA-N 444.560 5.656 30 20 IKED Cc1cccc(Br)c1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 464402316 GFNYVFVQNRTKAB-NRFANRHFSA-N 435.321 5.331 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)ccc21 464951750 KOFROVPCXQYGLE-UYAOXDASSA-N 440.469 5.548 30 20 IKED Cc1coc(-c2cccc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)c2)n1 467994903 OWKLRHWQPRGOGQ-UHFFFAOYSA-N 425.492 5.296 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC(C(=O)c4ccc(F)cc4)CC3)c2)cc1 468872925 GMHUJHZYWFTGQW-UHFFFAOYSA-N 428.463 5.225 30 20 IKED CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469050003 PMTGOHAPPOQVTC-OALUTQOASA-N 432.568 5.222 30 20 IKED C[C@@]1(CCc2ccccc2)CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 470538928 UGMVTIJGEHENAK-HHHXNRCGSA-N 444.579 5.146 30 20 IKED COCCCC[C@@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccccc1 471865106 WMFXMWCCMHCPRS-KXTRFFEISA-N 435.568 5.105 30 20 IKED CCCc1ccc(-c2nc(NC(=O)C3CCN(c4oc(C)nc4C#N)CC3)sc2C)cc1 472926822 ONRPKPADUAZCNZ-UHFFFAOYSA-N 449.580 5.094 30 20 IKED CNC(=O)c1cc2cc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)ccc2[nH]1 473558363 YRFPSVANVFTDPQ-UHFFFAOYSA-N 444.878 5.097 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](C)c1nc2ccccc2n1C(F)F 475386823 CWMKDJZYPRZNQU-OAHLLOKOSA-N 440.494 5.099 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 477528029 HVRKYANUICFGIQ-STQMWFEESA-N 439.507 5.339 30 20 IKED CC(C)(C)OCc1cccc(CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1 477733867 KIXIJGHZTBYYOQ-UHFFFAOYSA-N 435.568 5.063 30 20 IKED Cc1cc(N2CCOCC2)ccc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 479517838 PGVHPASBZZARPM-UHFFFAOYSA-N 429.545 5.107 30 20 IKED Cc1coc2ccc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)cc12 480055206 FKYXTXFXQBGWOZ-UHFFFAOYSA-N 441.512 5.596 30 20 IKED Cc1ccc2c(N[C@H](C)c3ccc([S@](C)=O)cc3)c(C#N)cnc2c1Br 480088714 AJZFNDSOMSDROT-SRGMZFCMSA-N 428.355 5.088 30 20 IKED COc1cc(OC2CC2)ccc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 480105972 CINDPILGGOULOA-UHFFFAOYSA-N 436.455 5.513 30 20 IKED CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 480376016 LHVWAZWNESXDJC-UHFFFAOYSA-N 442.519 5.106 30 20 IKED CCc1nnc(-c2ccc(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)cc2)o1 482484454 JWEOTVJLXCZJNW-UHFFFAOYSA-N 444.878 5.869 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)cc1 483836781 FQLYUQCJDPBVPE-LJQANCHMSA-N 435.421 5.065 30 20 IKED CCC(CC)(CNC(=O)CCc1c(C)nn(CCC#N)c1C)c1ccc(Cl)c(Cl)c1 483927759 OSXKSXSFHLFKJH-UHFFFAOYSA-N 449.426 5.527 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(CN2CCCCCC2)cc1 488140906 FUKDPYGEJUXZBK-UHFFFAOYSA-N 437.632 5.128 30 20 IKED C=C(C)Cn1c(SCc2nc(C)c(-c3ccc(Cl)cc3)o2)nnc1-c1ccncc1 489401913 WZOSIFSEZHIJDZ-UHFFFAOYSA-N 437.956 5.825 30 20 IKED C[C@H](N[C@@H](C)c1nc(C(F)(F)F)cs1)C(=O)Nc1sc2c(c1C#N)CCCCC2 490038562 UDOYEFQDHHQYBC-QWRGUYRKSA-N 442.532 5.042 30 20 IKED C=CCc1cc([N+](=O)[O-])ccc1OCc1csc(N(C(C)=O)c2cccc(Cl)c2)n1 498099129 UTEZLOYQNAMWSR-UHFFFAOYSA-N 443.912 5.697 30 20 IKED CC(C)[C@@H](c1ccccc1Cl)N(C)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 500155131 IPVROMLIQZZBLD-SFHVURJKSA-N 430.879 5.248 30 20 IKED Cc1ccc(C(=O)N[C@@H](CC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c2ccccc2)cc1 503838586 ABPVCQNNHVMQEM-MHZLTWQESA-N 449.554 5.044 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCC1 504997212 YGCFHPPAYCKJBF-NRFANRHFSA-N 436.474 5.420 30 20 IKED C=CCC[C@@H](NCc1nnc(C(=O)Nc2ccccc2)s1)c1ccc(C(F)(F)F)cc1 505465074 QVLCFFRNYVRGBX-GOSISDBHSA-N 446.498 5.606 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCC(=O)c2ccc(F)cc2F)cc1 505673608 NBIYDZVBYGPYTP-UHFFFAOYSA-N 436.414 5.239 30 20 IKED COc1ccc([C@@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)c2ccccc2OC)cc1 506352393 VEQFHMMGKSNZNX-UKILVPOCSA-N 429.520 5.137 30 20 IKED O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)N[C@H](c1c(F)cccc1F)C(F)(F)F 506920496 YXULNRDTHDHGTF-CYBMUJFWSA-N 448.298 5.378 30 20 IKED Cc1cc(Br)cc(C)c1NC(=O)c1cccc(OCc2ccccc2C#N)c1 512187072 OWMUYUCEMHBKKA-UHFFFAOYSA-N 435.321 5.769 30 20 IKED C[C@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)C(=O)Nc1cc(F)ccc1F 512767000 MFKYSNQBZHAQHI-LBPRGKRZSA-N 425.460 5.099 30 20 IKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)NC(=O)CS4)c2C#N)C1 515321960 SEPYFBPBCYZCAM-ZDUSSCGKSA-N 425.579 5.067 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1 515683743 JAPHZWQYGRBCHU-UHFFFAOYSA-N 435.512 5.332 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(N4CCCC4=O)c3)cc2Cl)cc1 515715359 MVOLXRMXATXNDA-UHFFFAOYSA-N 431.879 5.383 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC1(c2ccc(Cl)cc2)CCOCC1 517529877 GMVMJUXZZZQWJH-MRXNPFEDSA-N 429.973 5.562 30 20 IKED Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 517655132 WFTSTULWUXHYEY-UHFFFAOYSA-N 448.482 5.559 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 517665221 XVVKBTLNGKEYOZ-NRFANRHFSA-N 433.335 5.014 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Sc4ccccn4)cc3)n2)cc1 518477045 FRVLVGFLRBEWKW-FQEVSTJZSA-N 443.553 5.855 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)c1 518903062 SWFXBMMJNCQWCU-UHFFFAOYSA-N 442.441 5.010 30 20 IKED N#CCCSc1ccccc1NC(=O)c1ccc(I)cc1Cl 520807575 ITBVYILIYNZDGH-UHFFFAOYSA-N 442.709 5.203 30 20 IKED Cc1noc(C)c1CSc1ncccc1C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 520972616 GLLIJPKQJPBCOT-UHFFFAOYSA-N 434.565 5.149 30 20 IKED CC1CCC(OC2CCN(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)CC2)CC1 521253438 BINMKYQWPDZTLE-UHFFFAOYSA-N 439.478 5.091 30 20 IKED CCC(CC)CN(CCC#N)C(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 521486431 LAMUKHTZBFIXFZ-UHFFFAOYSA-N 449.979 5.893 30 20 IKED Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 524501894 WKDFVMOKHGBWPR-UHFFFAOYSA-N 441.531 5.084 30 20 IKED COC(=O)c1ccc(CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 524622272 BHEJQJBLQYKYHK-QFIPXVFZSA-N 432.907 5.353 30 20 IKED COc1ccc([C@H]2Nc3ccc(Cl)cc3C(=O)N2CC2CC2)cc1OCCCC#N 524887437 VUJTVYNDOLPWJJ-QFIPXVFZSA-N 425.916 5.008 30 20 IKED CN(C)[C@@H](C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1c(F)cccc1Cl 525330071 UQRNIOUMPFVLQX-HSZRJFAPSA-N 437.902 5.171 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCO[C@](C)(c2ccccc2)C1 532107423 GNAXKRYPONHXQC-MHZLTWQESA-N 441.531 5.225 30 20 IKED Cc1cc(-c2cc(C(=O)N[C@@](C)(C#N)CCc3ccccc3)c3c(C)noc3n2)c(C)o1 532157475 LIKBCRSGYMALEM-RUZDIDTESA-N 428.492 5.053 30 20 IKED N#C[C@@H](C(=O)c1cc(Br)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cn1 533717527 CFLMFSMYANQELT-GFCCVEGCSA-N 437.137 5.372 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCn2c(=O)oc3ccccc32)cc1Cl 534521198 XCYDUWABNZQOQC-HXUWFJFHSA-N 445.906 5.322 30 20 IKED CN(C(=O)c1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1)c1ccccc1 536053519 JJQFPFOJQKEAMW-HXUWFJFHSA-N 438.314 5.265 30 20 IKED N#Cc1ccc(NC(=O)[C@H]2CC[C@H](C(=O)Nc3ccc(C#N)cc3Cl)CC2)c(Cl)c1 540867294 CIUNKRBBMBFVML-WKILWMFISA-N 441.318 5.120 30 20 IKED C[C@@H](NC(=O)Nc1cc(C(F)(F)F)cnc1O)c1ccc(-c2cccc(C#N)c2)cc1 541089085 IHGCEKRFMKLLFP-CYBMUJFWSA-N 426.398 5.227 30 20 IKED C[C@@H](NC(=O)Nc1cccc(N2CCCNC2=O)c1)c1ccc(-c2cccc(C#N)c2)cc1 542026403 OJTVSBBSVIZASZ-GOSISDBHSA-N 439.519 5.028 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(CSc2ccc(C#N)c(C(F)(F)F)c2)cs1 543860286 MWLKNKOJCIGWFD-UHFFFAOYSA-N 447.507 6.319 30 20 IKED C=CCn1c(SCc2nc(-c3ccccn3)no2)nnc1-c1ccc(Cl)cc1Cl 545549376 GLYQLKNLAUDKBT-UHFFFAOYSA-N 445.335 5.175 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)cc1Cl 547951450 FIFPBOKKLKVADL-UHFFFAOYSA-N 433.773 5.328 30 20 IKED Cc1nc(CCC(=O)N[C@](C)(C#N)C2CCCCC2)oc1-c1ccc(Br)cc1 550351482 LWYLGDFYYBHPKS-JOCHJYFZSA-N 444.373 5.324 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)Nc1nnn(Cc2ccc(C(F)(F)F)cc2)c1C 554984302 UOFVUHAUDXBHJP-UHFFFAOYSA-N 443.473 5.264 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 558340816 PBXRZTMWVDOCRC-NLFFAJNJSA-N 434.609 5.211 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1 558761374 COVGXBNTTKMWMP-GOSISDBHSA-N 427.504 5.635 30 20 IKED C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 560576784 WWPAWRXHAUFWTJ-CQSZACIVSA-N 446.353 5.366 30 20 IKED C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)cc1Cl 566409264 VNVWIXNLLVYHKB-HNNXBMFYSA-N 448.910 5.134 30 20 IKED CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1 568437233 WBXVETFKQWOGGG-UHFFFAOYSA-N 428.410 5.126 30 20 IKED COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N[C@@](C)(C#N)CSC)cc1 569853629 XXUVSBQOZVCNBS-XWUHCIGLSA-N 443.572 5.105 30 20 IKED C=C(C)Cn1c(COCC)nnc1N1CCC(c2nc3cc(Cl)ccc3s2)CC1 570305227 AQYNELKRUBXCFY-UHFFFAOYSA-N 431.993 5.038 30 20 IKED N#Cc1ccc(N2CCC(NCc3ccccc3-c3ccc(Cn4ccnc4)cc3)CC2)cc1 572626455 KYHMQZIGCPJIQS-UHFFFAOYSA-N 447.586 5.229 30 20 IKED CCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)[C@H]1CCOC(C)(C)C1 575956964 KUGCULLOIWCZSS-FQEVSTJZSA-N 441.959 5.602 30 20 IKED C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 577326551 OIHARUZBDABHMY-OAQYLSRUSA-N 440.576 5.487 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)ccc1OC(C)C 579413241 LDKRPJWCBZDJCA-QGZVFWFLSA-N 446.507 5.424 30 20 IKED N#C[C@@H](C(=O)c1nc(-c2ccccc2)n2c1CCCCC2)c1nc2cc(F)ccc2s1 592973371 FBYSTZJNJHJUSO-KRWDZBQOSA-N 430.508 5.515 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1OCC 592975880 WZKOXYIOZRTWCV-CQSZACIVSA-N 432.904 5.766 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2nc(-c3ccncc3)no2)cc1Cl 603758794 IHRSZPDULASRNL-HXUWFJFHSA-N 443.894 5.012 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1cc(F)c(F)c(F)c1F 605479497 KTDLZPINIVEBHE-UHFFFAOYSA-N 435.217 5.455 30 20 IKED Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)CCc1c(C)nc(O)c(C#N)c1C 609062233 HPFFHLCHQXDODC-UHFFFAOYSA-N 449.938 5.388 30 20 IKED CC(C)CN1CCC(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 609081055 ZATUFXMTIHRVMY-UHFFFAOYSA-N 440.975 5.033 30 20 IKED CCCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1cc(Cl)ccc1C#N 609286461 XEVVXAHEXBBFJC-UHFFFAOYSA-N 447.347 5.450 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 609398494 XDUFIOOCNPXPFO-RWMBFGLXSA-N 439.425 5.533 30 20 IKED CCN(Cc1ccccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C(C)=O 609500432 IQNFYGKXHIXONS-UHFFFAOYSA-N 427.504 5.166 30 20 IKED Cc1cc(OCc2ccccc2)ccc1NC(=O)Nc1ccccc1SC[C@@H](C)C#N 609772738 HZDCFRXEWMEZHO-SFHVURJKSA-N 431.561 6.470 30 20 IKED C[C@@H](NC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1)c1cccc(C#N)c1 610407188 XARVLMQYWNBLSU-MRXNPFEDSA-N 439.346 5.733 30 20 IKED Cc1ccccc1CC1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 610629190 MXYABIZESKPUNO-UHFFFAOYSA-N 425.532 5.347 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC4(CC3)OCc3ccccc34)cc2)cc1 610743124 VOYSYSJUOKGXMR-UHFFFAOYSA-N 425.488 5.404 30 20 IKED O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 672784313 HTFGAYCWSVNOTI-STQMWFEESA-N 448.329 5.119 30 20 IKED C[C@H](OC(=O)[C@@H](C)c1c(Cl)cccc1Cl)C(=O)N(CCC#N)c1ccc(F)cc1 726027577 AQNMGAQKNGSDGZ-KBPBESRZSA-N 437.298 5.115 30 20 IKED Cc1nc(-c2ccco2)ccc1C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 726230138 BRBXITWLMDSTFF-OAHLLOKOSA-N 449.532 5.036 30 20 IKED COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1NC(C)=O 726429668 VGCMCRRSLAYBDA-FMIVXFBMSA-N 431.488 5.137 30 20 IKED Cc1oc(-c2ccsc2)nc1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 727038890 QDFFCYFVDJZASW-INIZCTEOSA-N 439.949 5.907 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)Nc1ccc2c(c1)OCCCO2 727278517 GTZRZFJBKMHNHQ-UHFFFAOYSA-N 447.535 5.571 30 20 IKED Cc1cc(C)c(NC(=O)CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(C)c1 728052663 JDWIECLUVSOYFQ-UHFFFAOYSA-N 433.939 5.767 30 20 IKED C[C@@H](C#N)Oc1ccc(/C=C2\CCn3c2nc2scc(-c4ccccc4)c2c3=O)cc1 728700942 YLJGBGLIOPCQFF-HUCUOGIVSA-N 425.513 5.360 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCc1nc2cc(Cl)ccc2s1 730686502 GTKUUTQCWMLYOA-QGZVFWFLSA-N 439.968 5.355 30 20 IKED Cc1ccc(CC(=O)Nc2cccc([C@H](C)OC(=O)[C@@H](C)Oc3ccccc3C#N)c2)cc1 731302237 YKPITCDILLJVKF-VQTJNVASSA-N 442.515 5.120 30 20 IKED N#Cc1ccccc1COc1cccc(/C=C(\Cl)c2nc(O)c3cc(Cl)ccc3n2)c1 731319925 SHCUUULCXXHSEX-NHDPSOOVSA-N 448.309 6.176 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(C2CC2)C(=S)N[C@@H]1c1csc(C2CC2)n1 731432292 GGIHINLZAQIZKQ-GOSISDBHSA-N 429.998 5.068 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3ccc(Br)cc3F)c2)c1 732231220 MNGUVEUHQNABNE-UHFFFAOYSA-N 425.301 5.329 30 20 IKED COc1ccc(-c2nc(COC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cs2)cc1 732398970 GVZYGGKKGUUCAV-UHFFFAOYSA-N 443.484 5.235 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)OCc3ccc(OCc4cccnc4)cc3)cc2)nc1 733495636 RCQLSEWRPNJEMS-UHFFFAOYSA-N 437.455 5.077 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)c1 733619558 TWJJFCLWTOQGRU-UHFFFAOYSA-N 444.539 5.388 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 733621696 MUGLMKUZHKLMCP-QHCPKHFHSA-N 425.492 5.294 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)ccc1OC 733646753 PHPHCNSOMVMMAQ-DHLKQENFSA-N 447.510 5.104 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])c1 733793181 LWNGIOQVFNSZSE-NRFANRHFSA-N 444.491 5.449 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1 733851707 HVICQPQERMZAGK-RBUKOAKNSA-N 434.565 5.066 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N(C)[C@H]3c3cccc(Cl)c3)n2)cc1 734706548 MACXSPKFWKXBAH-JQVVWYNYSA-N 449.963 5.168 30 20 IKED O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)N1CCC(C(F)(F)F)(C(F)(F)F)C1 735263156 NIGCEZKPQSUPAZ-DAFODLJHSA-N 439.705 5.715 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCCCC[C@@H]2c2ccc(C)o2)ccc1OC 739024783 RYWKWLZIGIVEKJ-WOJBJXKFSA-N 425.529 5.105 30 20 IKED CC(C)Oc1cccc([C@H](O)CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 743238140 KKWRBIBFGIUKCQ-JOCHJYFZSA-N 449.482 5.132 30 20 IKED CC(C)(C)c1ncc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)s1 744073919 IRHSAZYXCQYZME-SBDDDAINSA-N 429.517 5.732 30 20 IKED CCOc1c(Cl)cc(C=NO[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1OC 744445352 NQVBTXFZXYPIIN-CYBMUJFWSA-N 433.867 5.357 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3ccccc3N=Nc3ccc(O)cc3)o2)cc1 744550661 LWYQFBOQCSOVDR-UHFFFAOYSA-N 425.404 5.086 30 20 IKED CCN(CC1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1)C(=O)OC(C)(C)C 744713550 JVAGDHRHPQRGOL-UHFFFAOYSA-N 447.579 5.334 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)OCc2nnc(-c3cccc(F)c3)o2)c1 745052398 JVHZOWYBZHWPHR-UHFFFAOYSA-N 449.825 5.550 30 20 IKED CCOc1ccc(-n2c(-c3ccccc3Cl)nn(CN(C)C[C@@H](C)C#N)c2=S)cc1 746706987 URHDTFICFBSCDM-INIZCTEOSA-N 441.988 5.171 30 20 IKED O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccncc1)c1ccc(Cl)c([N+](=O)[O-])c1 747003513 ILTVRGAROSYPDG-VQHVLOKHSA-N 430.851 5.392 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc(OC)c(F)c1)C(=O)c1ccccc1 747149728 GLXWRBJIVQJNMQ-CJLVFECKSA-N 431.507 5.864 30 20 IKED CC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H](O)c1c(F)cccc1F 752637122 ORPDSFLILHDWHI-NGYIFUPDSA-N 435.474 5.254 30 20 IKED N#CCSc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 752792689 SNDSZFNQKHQITJ-UHFFFAOYSA-N 441.965 5.199 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 756518011 RJQSMZIEARJRMS-OAHLLOKOSA-N 440.450 5.197 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccnc(Br)c1 758220641 KXKCZAWFBMUESO-UHFFFAOYSA-N 430.249 5.121 30 20 IKED CC(=O)N(c1nc(/C=C2\C(=O)c3ccccc3[C@H]2C(C)C)cs1)c1ccc(F)cc1F 766505080 GLJJMJKJEGWGPR-RSCAPRFBSA-N 438.499 6.125 30 20 IKED N#CC1(CSc2nnc(CSc3nc4ccccc4s3)n2-c2ccccc2)CC1 766783492 PUHFYESZAMBUSB-UHFFFAOYSA-N 435.603 5.565 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)cc1C#N 769240070 HKPRBYQGSKXYGF-UHFFFAOYSA-N 440.450 5.116 30 20 IKED C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@H](O)c1c(F)cccc1Cl 770369838 GYMCOISXWSDSTG-FPTDNZKUSA-N 440.927 5.354 30 20 IKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)csc1Br 773978963 WUDDONHTQDCPLH-NSHDSACASA-N 432.126 5.087 30 20 IKED N#CCCn1cc(C(=O)COC(=O)c2ccccc2Oc2ccccc2C#N)c2ccccc21 778175408 HBOKFBHHIVZWTH-UHFFFAOYSA-N 449.466 5.259 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 779449866 QSFVDMRQNSJUPV-WBVHZDCISA-N 429.904 5.223 30 20 IKED Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)Nc2ccccc2O[C@H](C)C#N)c1 780673300 QJXWOWILNRHEMB-YKSBVNFPSA-N 429.520 5.054 30 20 IKED CC(C)(C)N1C/C(=C/c2scnc2C2CC2)C(=O)/C(=C\c2scnc2C2CC2)C1 782325381 BONOWHKJFURNDN-JCDHFMOQSA-N 425.623 5.505 30 20 IKED O=C(/C=C\C1CCOCC1)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 783557417 BGWPQNVNEYKTKX-DJYNDVHFSA-N 449.313 5.427 30 20 IKED Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)Cn3ccnc3)c2C#N)C(C)(C)C1 788652580 RUXJLIMWDWWJJG-SNAWJCMRSA-N 434.590 5.603 30 20 IKED O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1nc(Br)ccc1F 794969101 GHBMLNIQLYNYSD-CSKARUKUSA-N 449.283 5.127 30 20 IKED Cc1c(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)sc2ccc(C#N)cc12 796615448 PZZBNZORBHONQO-CQSZACIVSA-N 449.557 5.129 30 20 IKED CCN(C(C)=O)c1nc(/C=C\C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)cs1 797156180 CRYSFESTPJUGGC-HJWRWDBZSA-N 427.507 5.049 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)c1ccc(C(F)(F)F)s1)c1ccc(Cl)cc1Cl 802798990 CPVPVIWUXTYXPZ-GZMMTYOYSA-N 435.254 5.274 30 20 IKED C#C[C@@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(Cl)cc1F 805775567 IDKGHGVAISWGJU-GOMXZESMSA-N 444.778 5.362 30 20 IKED CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[C@H](C#N)c1cnc2ccccc2n1 805929458 FWKNVMBGQDXHQZ-XMSQKQJNSA-N 444.535 5.098 30 20 IKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1cnc(Cl)c(F)c1 808063789 RAGPSDAWQGELRL-UHFFFAOYSA-N 446.706 5.009 30 20 IKED Cc1nc(C)c2c(C)c(C=Nn3c(C)nc4scc(-c5ccccc5)c4c3=O)sc2n1 874041257 QHTRYYFWOQJTCS-UHFFFAOYSA-N 445.573 5.246 30 20 IKED C=CCOc1ccccc1C(=O)O[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 913366180 AGEZDGFRSVRGPS-DEOSSOPVSA-N 431.488 5.105 30 20 IKED N#C[C@@H](C(=O)CC[C@H]1Cc2ccccc2NC1=O)c1nc(-c2ccc(Cl)cc2)cs1 915101507 HTWZIAMDOIZSRP-WMZOPIPTSA-N 435.936 5.231 30 20 IKED N#C[C@H](C(=O)c1ccc(N)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103579 YMAAEWJKTSTLHA-GFCCVEGCSA-N 433.276 5.097 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)c1 916899471 SLRYAEKCKWRGCA-NRFANRHFSA-N 446.938 5.064 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)Sc1cc(Cl)ccc1Cl 916905363 NZWHRGLAXBDCQC-SUMWQHHRSA-N 449.403 5.946 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 916908117 YNDZSBVBKKFJKB-SFHVURJKSA-N 441.399 5.094 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1 916913928 IIGZCGJVXWNFKI-JOCHJYFZSA-N 428.488 5.453 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2sc(C)nc2-c2cccs2)cc1 916914834 VZBMAQUMPLVVBD-GOSISDBHSA-N 437.590 5.413 30 20 IKED N#C[C@@H](C(=O)CN1CCC[C@H]1c1ccc(Br)cc1)c1nc2ccccc2s1 917205117 GHBOVKIVBARTPI-WMZOPIPTSA-N 440.366 5.072 30 20 IKED C=CCn1c(-c2ccccc2F)nn(CN2CCC[C@H](c3nc4ccccc4o3)C2)c1=S 917430648 QSEVWQJJFRRPPL-KRWDZBQOSA-N 449.555 5.384 30 20 IKED COc1ccc(Cl)cc1C(=O)/C=C/c1csc(N(C(C)=O)c2ccc(C)cc2)n1 917559393 IJSWOACWADQRLT-JXMROGBWSA-N 426.925 5.694 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc4cc(OC)ccc4c3)n2)cc1 920139389 SUPVSDFWUHFTQK-BCAQEAPWSA-N 440.524 5.870 30 20 IKED Cc1ccc(N2CCC(C(=O)OCCC(C#N)(c3ccccc3)c3ccccc3)CC2)nc1 920610304 GFACBLPQUASXEQ-UHFFFAOYSA-N 439.559 5.050 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc(C(F)F)no3)cc2)CCC1 1788307314 JBMLMDYLSAOXNV-UHFFFAOYSA-N 431.483 5.352 30 20 IKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3oc4ccccc4c3C)cc2)CCC1 1788967720 NQUAAQHHBCHOIC-SFHVURJKSA-N 432.520 5.080 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4sc(C)nc4c3)cc2)CCC1 1789048056 IQBYVNOPOCSARW-MRXNPFEDSA-N 433.577 5.565 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CS[C@@H]3CCCCO3)CCC2)cc1 1789453578 BGHXKMTVCCRGCZ-FYYLOGMGSA-N 442.625 5.149 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(F)cccc3Cl)cc2)CCC1 1790226594 FFIVGPKEMFTMBO-OAHLLOKOSA-N 445.922 5.028 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@]4(F)CCCC=C4F)CCC3)cc2)cc1 1790290758 DEOFAGPGXSDOFK-VWLOTQADSA-N 435.474 5.052 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CSc1c(C)cccc1C 1798617888 CNGCRCOLNKVGLQ-WKCHPHFGSA-N 428.642 5.026 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](c1ccc(F)cc1)C(C)C 1802147422 GJDXXWZORTXZRE-BJESRGMDSA-N 428.592 5.196 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)ccc1C(F)(F)F 1803867042 CDBPIFMGEONSTM-BJWYYQGGSA-N 440.481 5.089 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)CCCCC)[C@H]1c1cccnc1 1812696338 RCRBONYSTDIJIU-MDNUFGMLSA-N 427.633 5.296 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)c(Cl)c2)CC1 1831441681 ABTKXNOXJSBKSW-HXUWFJFHSA-N 438.946 5.093 30 20 IKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc(C(C)(C)C)cc2)cc1 10170719 DUKYSMIYFWGUAB-UHFFFAOYSA-O 431.625 6.446 30 20 IKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccc(N(C)C)cc2)c1 10172677 JSIQCQNIGQTICY-UHFFFAOYSA-O 438.642 5.386 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2cccc(O)c2)c(C)s1 10762048 YUZMFWQNSNMHTP-UHFFFAOYSA-O 435.953 5.201 30 20 IKED CCc1cccc(CC)c1/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(C)c(Cl)c2)S1 15231709 BREMGXYZMFQIJC-GOSISDBHSA-N 429.973 5.021 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 17944473 YPRAIPUZCKPTAF-JTQLQIEISA-N 435.387 5.092 30 20 IKED C=CCn1c(SCc2cc(=O)oc3c(C)c(C)ccc23)nnc1-c1ccc(OC)cc1 22299423 OBFHFSHFUSDMLX-UHFFFAOYSA-N 433.533 5.155 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)nnc1-c1ccoc1C 23519371 VBTKRRVLLNRSSE-SJLPKXTDSA-N 446.576 5.544 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(\S)Nc2ccc(Cl)cc2Cl)c1 23604207 OEWJFTUHPZWYLN-UHFFFAOYSA-O 433.384 5.585 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)NCc2ccccc2)c1 28777379 HSOIZANFUXWRMH-UHFFFAOYSA-O 430.380 5.318 30 20 IKED C=CCNC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 29811154 BTZOLHDXCKPQCC-GOSISDBHSA-N 430.508 5.226 30 20 IKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 32289985 RHXLJUXIBLVKIQ-UHFFFAOYSA-N 447.560 5.744 30 20 IKED C=CCn1c(S[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)nnc1-c1ccccc1OC 36807310 KBNIVYWRCMXXHP-ASXFNGKXSA-N 437.609 5.406 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCCCC(=O)c3ccc(F)cc3)c2)c1 426621988 AIVLNNCMGQTTQD-UHFFFAOYSA-N 443.478 5.331 30 20 IKED C=CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)cc1OC 428887531 XOLJETSCCRIAQD-GOSISDBHSA-N 431.916 5.114 30 20 IKED Cc1ccsc1[C@@H](CO)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 429094782 FBGGEGMXCJDXRM-UYAOXDASSA-N 425.941 5.221 30 20 IKED COc1ccc([C@H](Cc2ccccc2C)NC(=O)c2cccc(SCC#N)c2)cc1OC 429864487 YUUDEWNJRDBTGV-QHCPKHFHSA-N 446.572 5.342 30 20 IKED COc1cc(Br)ccc1CCCNC(=O)N[C@H](CCCC#N)c1ccccc1 431468000 BFOLJZYXDSGKOR-HXUWFJFHSA-N 444.373 5.125 30 20 IKED Cc1c(C(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)sc2ccc(C#N)cc12 433236915 SLZPHOHKVXLVLZ-UHFFFAOYSA-N 447.541 5.135 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc(C2CCCCC2)cs1 435892801 MKXWUOYNIRPMTN-INIZCTEOSA-N 445.679 6.457 30 20 IKED CCOc1cc(-c2noc(-c3cc(C4CC4)nc(SC)c3C#N)n2)cc(Cl)c1O 436873434 PLJJKKGTMVIBEY-UHFFFAOYSA-N 428.901 5.027 30 20 IKED COCCc1nc2cc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)ccc2o1 439993255 YWFUROPRNLNCJV-UHFFFAOYSA-N 431.423 5.072 30 20 IKED COc1cc(CN(Cc2ccc(C#N)cc2)c2ccc3nc(O)[nH]c3c2)ccc1SC 440739687 TVFVGHBUUKYNLX-UHFFFAOYSA-N 430.533 5.077 30 20 IKED Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 441772078 BWYBTVOAYUSGKA-GDBMZVCRSA-N 444.626 5.127 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CC[C@H]4CCC[C@H]4C3)cc2Cl)cc1 442379641 KGCAXQPLCOPBPT-FGTMMUONSA-N 437.927 5.027 30 20 IKED CC(C)(C)Cc1nc(-c2cccc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)c2)no1 442605586 DGQIYPHJXBAPKW-INIZCTEOSA-N 428.414 5.229 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cc(O)nc2cc(F)ccc12 444435343 SZPHHSPIWBYQGN-MRXNPFEDSA-N 446.322 5.522 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 446521922 KVZPZJXAPUDEJS-UHFFFAOYSA-N 441.940 5.051 30 20 IKED N#Cc1ccc(-c2nnc(CN3Cc4cc(Cl)ccc4C[C@@H]3c3ccccc3)o2)cc1 446716833 MTOQPKMZFCKVEC-HSZRJFAPSA-N 426.907 5.561 30 20 IKED CC(C)CCN(CCC#N)c1nnc(-c2cc(Cl)ccc2Cl)n1C[C@H]1CCOC1 461579802 RJNBIIGBGBSHEI-MRXNPFEDSA-N 436.387 5.055 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ncc(-c4ccccc4)cn3)c2)cc1 461981290 DRBDKTWVENXLDQ-UHFFFAOYSA-N 449.514 5.110 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1ccc(NC(=O)C2CC2)cc1 463141890 OPSVUSJDZOZYPE-UHFFFAOYSA-N 425.488 5.189 30 20 IKED O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1c[nH]nc1C1CC1 476142827 IIQZSUQWXDEMTI-ZDUSSCGKSA-N 445.285 5.358 30 20 IKED C=C(C)[C@H](NC(=O)C(=O)Nc1ccccc1COC(C)(C)CC)c1ccc(F)c(F)c1 477642959 OWWZKGHTMOZFPB-NRFANRHFSA-N 430.495 5.042 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(NC(=O)CCC)ccc1Cl 478926502 FDBHDWIONMLAJR-UHFFFAOYSA-N 431.968 5.466 30 20 IKED COc1ccc(-n2c(SCc3ccc(Cl)cc3C#N)nnc2-c2ccncc2)cc1 479204057 ZDJATNUOXGZCRD-UHFFFAOYSA-N 433.924 5.155 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)cc1 480806497 UEJYTDBFCJEIDD-JOCHJYFZSA-N 438.487 6.251 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1nnc(-c2cc3ccccc3o2)s1 482504116 HMTVMEDUQQQPFV-UHFFFAOYSA-N 436.541 5.339 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)c1c(-c2c(Cl)cccc2OC)noc1C 483351605 ISBWMLUFFVRVME-UHFFFAOYSA-N 426.900 5.149 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H]2CCO[C@@H]2c2ccccc2)cc1 489859682 MCXFPKSJSFQKJV-NBGIEHNGSA-N 443.503 5.258 30 20 IKED CC(C)CN1Cc2cccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)c2C1 494461571 VBIXMOYVWUENLQ-UHFFFAOYSA-N 441.600 6.074 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1COC1CCOCC1 494533028 PEEJYEJMPPDZDL-UHFFFAOYSA-N 443.503 5.002 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1Cc2cc(Br)ccc2C[C@@H]1C 499894662 GPTDDCLACFJCIJ-GJZGRUSLSA-N 444.398 5.680 30 20 IKED N#Cc1ccc(CNC(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 500428797 QTMQYWRXABTXLU-OAQYLSRUSA-N 428.923 5.324 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)c(C(F)(F)F)c1 501484648 XDEOEHGORGYQBY-CQSZACIVSA-N 449.498 5.065 30 20 IKED CCOc1ccccc1Oc1ccc(CNC(=O)c2ccccc2-c2ccccc2C#N)cn1 502241715 NNQBVKQUMGBRNP-UHFFFAOYSA-N 449.510 5.741 30 20 IKED N#Cc1cn(CC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)c2ccc(Cl)cc2c1=O 502819424 GHJSNYGXMHZIHP-UHFFFAOYSA-N 437.886 5.558 30 20 IKED C=C(C)COc1cccc(NC(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)c1 503387056 NUCBXAMNZUFDRX-DEOSSOPVSA-N 426.520 5.439 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@H](Oc3ccccc3C#N)C(C)C)s2)cc1 505108539 FPFYUZXGZRKJPA-KSFYIVLOSA-N 449.576 5.280 30 20 IKED N#C[C@H](NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)c1cccc(Cl)c1Cl 505343234 KBUFKPZZPSKZMR-YTBPXNTOSA-N 431.285 5.823 30 20 IKED N#C[C@H](C(=O)Nc1nnc(-c2ccccc2)s1)c1nc(-c2ccc(Cl)cc2)cs1 505449474 PGVSPVTVPGMWSW-OAHLLOKOSA-N 437.937 5.228 30 20 IKED C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(c2c[nH]c3ccccc23)CC1 508819047 VZTVLJPHOMESTM-UHFFFAOYSA-N 436.563 5.402 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@@H](c2nccs2)C1 508840838 NHWBAQBYXAOYGG-WIYYLYMNSA-N 445.592 5.598 30 20 IKED C[C@@H](CCc1ccc(O)cc1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511392401 VXJMYCXCVGJYED-IBGZPJMESA-N 429.520 5.180 30 20 IKED N#Cc1ccccc1COc1cccc(CNc2ccc(F)cc2OC2CCOCC2)c1 512856262 MCKCMSQWSGUSGT-UHFFFAOYSA-N 432.495 5.446 30 20 IKED COC(=O)c1c(F)ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1C 515097801 VKTXPNJKPNDJAH-UHFFFAOYSA-N 449.457 5.166 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Sc4ccccn4)cc3)n2)cc1 517277785 NDHGMTYKCQVANQ-FQEVSTJZSA-N 427.554 6.155 30 20 IKED Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C2CC2)cc1 517830676 YKOXHVRKNMWAHL-RUZDIDTESA-N 439.515 5.173 30 20 IKED C[C@@H](NC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1)c1ccc(C#N)cc1 517887643 FPVWWNAMUZFLGN-MRXNPFEDSA-N 439.346 5.733 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCCC[C@@H]3c3cc4ccccc4[nH]3)o2)cc1 518668117 UQSPWXMLFYPDEW-XMMPIXPASA-N 425.488 5.579 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 518858849 LFFBXPAEYDFEOL-RUZDIDTESA-N 438.531 5.199 30 20 IKED COc1ccc(CCCN(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 520362846 BMLHVWHEEVLAGV-UHFFFAOYSA-N 430.573 5.564 30 20 IKED COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 520625212 SRZYMTXRHOYDAK-QZTJIDSGSA-N 445.519 5.046 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)s2)c(C)c1 521177360 UUMNUZSALITFAH-LJQANCHMSA-N 429.570 6.349 30 20 IKED C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 521799790 BWIYCXYWCZXHRF-MRXNPFEDSA-N 449.507 5.189 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H](C)c1cccc(C)c1C 522440564 RVYKISADVGIXEH-LJQANCHMSA-N 427.504 5.092 30 20 IKED COc1cc2cc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)[nH]c2cc1OC 522862591 XXWPNCBCRMVYIV-GFCCVEGCSA-N 439.443 5.077 30 20 IKED COc1cc(CN(C)C(=O)c2ccccc2-c2ccccc2C#N)c(SC)cc1OC 525464603 HDCXLLOGQUYYJJ-UHFFFAOYSA-N 432.545 5.237 30 20 IKED N#Cc1ccccc1COc1cccc(CN[C@@H](c2cccc(Cl)c2)c2ccccn2)c1 532374671 NHWJOTASBXVWRB-MHZLTWQESA-N 439.946 6.065 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccn(-c2ccc(Cl)cc2)n1 535241374 BZUKBCHYMVTZOV-UHFFFAOYSA-N 429.867 5.145 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)c3cc(Br)cc(Br)c3)CC2)cc1 540200158 IYVLDXBABCCCSZ-UHFFFAOYSA-N 446.142 5.013 30 20 IKED COC(=O)c1ccc(-c2nc(CSc3nc(C)cc(C(F)(F)F)c3C#N)co2)cc1 542002043 DMYJAUDTCBDJQH-UHFFFAOYSA-N 433.411 5.014 30 20 IKED Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1cc(Cl)ccc1Cl 544227502 NDVUGOACWBBOMO-OAQYLSRUSA-N 438.314 5.018 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 544573346 UUKHULIDMCZMDY-BSIFCXSSSA-N 427.545 5.461 30 20 IKED Cc1ccc(C(=O)c2c(NC(=O)c3ccc(C4(C#N)CC4)cc3)sc3c2CCOC3)cc1 546108188 NCVUBPMRBHKTLN-UHFFFAOYSA-N 442.540 5.168 30 20 IKED N#Cc1cc(-c2nc(-c3ccc(NC(=O)CC4CCCC4)cc3)no2)cnc1C(F)(F)F 551370429 KYTOKNPGBGLSNP-UHFFFAOYSA-N 441.413 5.208 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc4oc5ccccc5c4c3)CC2)c(F)c1 554072603 UIGLYZSUHKNLCY-UHFFFAOYSA-N 429.451 5.672 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C1(c2cc(F)cc(Br)c2)CC1 554713661 CKJWVJIZPWLVEC-CYBMUJFWSA-N 433.346 5.510 30 20 IKED Cc1cnc(C2CCN(c3nnc(-c4ccc(C#N)cc4)n3Cc3ccccc3)CC2)s1 555149212 PWHSPDIVCRVESS-UHFFFAOYSA-N 440.576 5.014 30 20 IKED CCN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)Cc1ccccc1Br 557553862 KMITYWJIAQQCAO-MRXNPFEDSA-N 446.414 5.304 30 20 IKED Cc1cc(Sc2nnc(COc3ccc(Cl)cc3)o2)n2c(nc3ccccc32)c1C#N 559071918 JPQVECOREFGFNS-UHFFFAOYSA-N 447.907 5.434 30 20 IKED CC(C)CN(C(=O)c1cc(C#N)ccc1Cl)c1nc(-c2ccccc2[N+](=O)[O-])cs1 561777487 NVZUSYOWFXKORD-UHFFFAOYSA-N 440.912 5.546 30 20 IKED Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N 565126614 SXZOPDUUXVATLL-ICSRJNTNSA-N 437.609 5.431 30 20 IKED COc1cccc(COc2cccc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)c2C)c1 565386311 ROWZCMXMODNWGH-UHFFFAOYSA-N 430.479 5.264 30 20 IKED CCN(C(=O)c1ccc2c(c1)nc(Cc1cccs1)n2C)c1ccc(C#N)c(Cl)c1 565445331 RUOCBAJIUFTVMA-UHFFFAOYSA-N 434.952 5.417 30 20 IKED Cc1nc(C#N)c(N2CCC(c3nc(C4(c5ccc(F)cc5)CCCCC4)no3)CC2)o1 571803881 WTQOWVPNNAVSQB-UHFFFAOYSA-N 435.503 5.011 30 20 IKED O=C(Nc1cccnc1C(F)(F)F)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 583588828 RNCKNPTYKAOPOK-LBPRGKRZSA-N 445.285 5.934 30 20 IKED C=CCOc1ccc(CN[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1Cl 589649820 LBCNBFWUHXVAIU-SFHVURJKSA-N 427.976 5.012 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC1(c2noc(C(F)F)n2)CCC1 590108801 VCTSINKTIPCKMF-UHFFFAOYSA-N 439.422 5.181 30 20 IKED CC1(C)CN(C(=O)c2cc3ccccc3n2CC#N)C[C@H](c2cccc(C(F)(F)F)c2)O1 590495311 QCQCUNNLYIDTOO-OAQYLSRUSA-N 441.453 5.176 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(OCc4cscn4)c3)cn2)cc1 603763903 BCDPEVGLYGXNCG-UHFFFAOYSA-N 428.473 5.033 30 20 IKED C[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 604044542 VYVZXACQMLJQJL-MRXNPFEDSA-N 430.895 5.101 30 20 IKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 604186962 SPNQYZQPIOBRFZ-UHFFFAOYSA-N 439.515 5.540 30 20 IKED Cc1cc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c2c(C(C)C)noc2n1 604449789 YYUPENOOXIISLQ-UHFFFAOYSA-N 428.517 5.606 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCSC[C@@H]1c1ccc(Cl)cc1 604803015 LFUIJEHRUQHRJB-HSZRJFAPSA-N 433.964 5.457 30 20 IKED C=CCN(C(=O)COC[C@H]1CCOC1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 605078875 ZLUSTLFVZRMLMG-IBGZPJMESA-N 434.561 5.049 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2cnccn2)n1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 607274375 ILOZDBVLDLNNNK-YUCKINEMSA-N 447.589 5.014 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@@H]3Cc3c(F)cccc3Cl)o2)cc1 609070768 KYTSQOMJCVMVRX-QGZVFWFLSA-N 438.886 5.370 30 20 IKED COC(=O)c1sc2ccccc2c1CNC(=O)c1ccccc1-c1ccccc1C#N 609120794 XTBWWXVUHAREJP-UHFFFAOYSA-N 426.497 5.157 30 20 IKED Cc1ccc(NC(=O)[C@@H](C)Nc2ccccc2SC[C@@H](C)C#N)c(Br)c1 609387016 FTCRWUICKDRRCH-LSDHHAIUSA-N 432.387 5.448 30 20 IKED COc1ccc(OC2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)cc1 609434403 FTSXDWBCHWRMHF-UHFFFAOYSA-N 443.503 5.434 30 20 IKED Cc1ccccc1[C@@H](NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)C1CCC(C)CC1 609579289 MNHFADNJWCADOO-ZWNWOPDOSA-N 445.611 5.097 30 20 IKED Cc1ccccc1CN(Cc1cccnc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 609600980 IBZBLFDOQVGXSK-UHFFFAOYSA-N 449.514 5.683 30 20 IKED CCNC(=O)c1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c(C)c1 609723530 AFHGUVQIEVGDCA-UHFFFAOYSA-N 433.895 5.314 30 20 IKED C[C@@H]1CN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C[C@H](c2ccccc2)O1 609731027 ODMZZHHRSKIVGW-MZNJEOGPSA-N 432.907 5.606 30 20 IKED N#Cc1c[nH]ccc1=NC(=O)c1sc2ccccc2c1CSc1ccccc1Cl 609786333 QHSKBZKLVOYCHJ-UHFFFAOYSA-N 435.961 5.788 30 20 IKED Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)o1 610018417 IMNLBRCLISDWDH-RUZDIDTESA-N 443.547 6.496 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)CCc3c(C)nn(CCC#N)c3C)s2)cc1 610050851 MDPHEFWAESNOID-HXUWFJFHSA-N 449.624 5.306 30 20 IKED CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 610095398 RJBGKKITTUWDKD-QHCPKHFHSA-N 448.954 6.191 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@H](c2ccccc2C)C1 610322778 ZLGDKRJLMOXGRN-VWLOTQADSA-N 427.504 5.573 30 20 IKED N#CCn1c(C(=O)Nc2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)cc2ccccc21 610428867 RYYPFMPUGDYKGU-UHFFFAOYSA-N 435.409 5.575 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4nc5ccccc5s4)o3)n2)cc1 613315631 VFZLRLHUZNFBMS-MRXNPFEDSA-N 441.537 6.478 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ccccc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 613404428 MVUFGHFGDLJESS-CYBMUJFWSA-N 429.448 5.929 30 20 IKED C=CCn1c(SCC(=O)N(CCC)CCC)nnc1-c1ccc(Cl)cc1Cl 641952783 LKQFHPSIGQUHFW-UHFFFAOYSA-N 427.401 5.179 30 20 IKED C=CCn1c(S[C@H](C)c2nc3ccccc3n2C(F)F)nnc1-c1ccc(OC)cc1 648202273 HQABFFPXRXVHQZ-CQSZACIVSA-N 441.507 5.738 30 20 IKED O=C(Nc1ccc(F)cc1OC1CCCC1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 676275727 XWKBQPLNLFHVDZ-UHFFFAOYSA-N 428.348 5.496 30 20 IKED N#Cc1cnc2ccccc2c1OCCOC(=O)c1csc(-c2cccc(Cl)c2)n1 726362533 LOXIAAQKGAGZHO-UHFFFAOYSA-N 435.892 5.119 30 20 IKED CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 731345218 HBUNDVPFUICYIK-UHFFFAOYSA-N 435.524 5.326 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(CO[C@H]3CCC[C@@H](C)C3)c2)c1 733844189 HKTVDHMHKLEIFW-FOVJLYNBSA-N 435.568 5.785 30 20 IKED COc1cccc(-c2nc(CSCc3cc(Cl)ccc3OCC#N)cs2)c1OC 735319277 YATWJNRQOJQBFG-UHFFFAOYSA-N 446.981 5.816 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(C)(C)Sc1ccc(Br)cc1 736015489 MRGWRJOQJFUNTR-AWEZNQCLSA-N 449.439 6.210 30 20 IKED N#Cc1cccc(COc2ccc(NC(=S)N[C@H]3CCOc4ccccc43)cc2Cl)c1 741486692 MLMBGSWWEHKYBI-NRFANRHFSA-N 449.963 5.601 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(C(=O)N(C)CC(C)(C)C)c2)cc1 744029829 WWSBGZNRXDMAGE-QHCPKHFHSA-N 447.579 5.108 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)n1 747199215 RKBVHFPMVGVXFG-YOEHRIQHSA-N 436.364 5.054 30 20 IKED COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)Nc2cnn(CC#N)c2)cc1 747434798 SIOLMYIJXBUXBG-XDJHFCHBSA-N 449.514 5.093 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1 750999271 LEQMMLNJOKTLDN-WMZHIEFXSA-N 447.560 5.841 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3csc(C)n3)cc2)cc1C#N 752300297 BUVFSFPSJFVBQG-AWEZNQCLSA-N 449.536 5.441 30 20 IKED N#C[C@@H](C(=O)/C=C/c1ccc2ccc(Cl)cc2n1)C(=O)Nc1ccc(F)c(Cl)c1 759209167 NVOMATBGJJWAAO-BVBGJJFLSA-N 428.250 5.041 30 20 IKED COc1cc(C=NOCc2cc(Br)cc3cccnc23)cc(Cl)c1OC 759762928 YUOSXYCTJZKYOA-UHFFFAOYSA-N 435.705 5.219 30 20 IKED CSc1cccc([C@@H](NC(=O)Cc2cccc(OCC#N)c2)c2ccc(F)c(F)c2)c1 760512948 YETPZZBZCITWJZ-XMMPIXPASA-N 438.499 5.037 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 760786740 WBLIWBOIOYAPPK-UHFFFAOYSA-N 426.900 5.926 30 20 IKED COc1ccc(-c2nc(SCc3cccc(Br)c3C)nc(O)c2C#N)cc1 761310645 IHHPKELKGHTFDJ-UHFFFAOYSA-N 442.338 5.093 30 20 IKED CC(C)[C@@H](NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)c1ccc(C(F)(F)F)cc1 761742414 GLMJHVMLGQATRV-LEWJYISDSA-N 431.458 5.057 30 20 IKED C[C@@H](Oc1ccccc1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccccc1 761860748 JVIAPJOXHWXEKF-KBMIEXCESA-N 427.504 5.304 30 20 IKED CCc1cccc[n+]1/C(C(=S)Nc1cccc(C(C)C)c1)=C(/O)c1ccc(C#N)cc1 762441541 UFTBHCRDTQVNBY-UHFFFAOYSA-O 428.581 5.855 30 20 IKED CC1(C)CCCN(C(=O)CCCCCCCCC(=O)N2CCCC(C)(C)[C@H]2C#N)[C@@H]1C#N 765119589 KAFKNKYKKBRLFF-FGZHOGPDSA-N 442.648 5.189 30 20 IKED Cc1cccc(-c2cncc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2)c1 768763509 OTAFJOOZVJISJK-HXUWFJFHSA-N 437.471 5.333 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H]2CCc3c(F)ccc(Br)c32)ccc1OC 772984949 HCUBTQATYWEEDQ-RDTXWAMCSA-N 433.321 5.055 30 20 IKED N#C[C@@H](C(=O)NC1CCCC1)C(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1 779194197 JJRXEWHJALEVCU-HSZRJFAPSA-N 441.487 5.047 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CC1CCC(C(F)(F)F)CC1 783287781 OHVWNSBRBPPBDH-QQFBHYJXSA-N 442.503 5.321 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/COc3c(F)ccc(F)c3C2=O)cs1 783711404 AJQBJVPPDADJJJ-WQLSENKSSA-N 446.862 5.418 30 20 IKED Cc1csc(SCc2c(C(=O)N[C@@H]3CCc4cc(C#N)ccc43)oc3ccccc23)n1 786396877 RXAPLGVPZSKCQX-HXUWFJFHSA-N 445.569 5.779 30 20 IKED COc1ccc(/C=C2/N=C(S[C@@H]3CC[C@@H](C#N)C3)N(c3cc(C)cc(C)c3)C2=O)cc1 788096705 NVICSYFXIDUEJS-TZWBQFSNSA-N 431.561 5.481 30 20 IKED N#CCCn1cc(/C=C/C(=O)c2ccc(Br)cc2Cl)c(-c2ccncc2)n1 788353435 HKCXADHSOROUFY-GORDUTHDSA-N 441.716 5.171 30 20 IKED CC(C)(C)OC(=O)N1CCc2c(ccc(NC(=O)C[C@H](CC#N)c3ccccc3)c2F)C1 791226635 FGOSZNVOSOPJCL-SFHVURJKSA-N 437.515 5.145 30 20 IKED CN(C)C(=O)c1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)cc1 792924873 PUOKDNHIXPZPPP-GDNBJRDFSA-N 432.907 5.190 30 20 IKED CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)C[C@@H](CC#N)c1ccccc1 793462304 SZIJPYHBGSBEGP-OAQYLSRUSA-N 433.552 5.078 30 20 IKED CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797566558 NJIPVQDIOAJZSK-REWPJTCUSA-N 447.604 5.154 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@H](C)c2ccc(C(F)(F)F)cc2)c1C#N 798359687 HLRJJKWRPIDRKI-CYBMUJFWSA-N 430.455 5.227 30 20 IKED CCOc1ccccc1NC(=O)[C@H](OC(=O)c1cc(C#N)ccc1Cl)c1ccccc1 803834389 BRUBQOFSCLXFSX-JOCHJYFZSA-N 434.879 5.147 30 20 IKED Cc1ncsc1CON=C(N)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 809996875 QEZZJTFOCZFKQL-UHFFFAOYSA-N 442.850 5.148 30 20 IKED CC1(c2ccccc2)C/C(=C\c2nc(C#N)cs2)C(=O)/C(=C/c2nc(C#N)cs2)C1 811693716 MAKFPKKFOXRGDV-BGPOSVGRSA-N 428.542 5.131 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(Br)o1 814729503 SKEKMIXOCDUGOY-UHFFFAOYSA-N 448.729 5.325 30 20 IKED CC(C)(C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 883978212 ICTROPJWIOEWBW-CHWSQXEVSA-N 435.330 5.572 30 20 IKED N#CC(CCOC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)(c1ccccc1)c1ccccc1 914898111 MPYCCEDEOGFKGP-AZZUFQGZSA-N 429.560 5.151 30 20 IKED CCOc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 915104925 XJYCPPDVOGDEID-MRXNPFEDSA-N 446.450 5.553 30 20 IKED COc1cc(/C=C\c2nc(-c3ccc(Br)cc3)cs2)ccc1OCC#N 916140979 SZLNWSLIIXSSGO-OQFOIZHKSA-N 427.323 5.654 30 20 IKED Cc1oc(-c2cccs2)nc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916906596 FKQKGUDIFQEPRU-QGZVFWFLSA-N 443.484 5.465 30 20 IKED N#C[C@@H](C(=O)Cc1coc2ccc3ccccc3c12)C(=O)Nc1ccc(Cl)cc1Cl 916927991 GFVSDKUHRPPWSU-KRWDZBQOSA-N 437.282 5.783 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 916947603 OFFXXOVTLRXFAS-HRAATJIYSA-N 443.503 5.315 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCC(=O)c3ccc4c(c3)CCCC4)n2)cc1 916973077 UBKZLDYBPUCKGK-QFIPXVFZSA-N 428.557 5.837 30 20 IKED C=CCn1c(SC[C@H](O)c2ccc(OC(F)(F)F)cc2)nnc1-c1cccc(C)c1 916983472 OWVLPXYSNGWLNK-SFHVURJKSA-N 435.471 5.164 30 20 IKED Cc1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916997581 WZYRKHHEUPWDSI-DYVFJYSZSA-N 431.344 6.069 30 20 IKED N#C[C@@H](C(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1nc2cc(Cl)ccc2s1 917044162 QQQJYTMHRSKGRJ-KRWDZBQOSA-N 438.940 5.070 30 20 IKED Cc1[nH]c2ccccc2c1C1CCN(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 917207814 QVWDYOSDWWYYII-LJQANCHMSA-N 428.561 5.142 30 20 IKED Cc1ccc(C)c(NC(=O)[C@H](OC(=O)CSCc2ccc(C#N)cc2)c2ccccc2)c1 917262002 FQAVWABWTIKEEP-RUZDIDTESA-N 444.556 5.332 30 20 IKED CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)[C@H](C#N)c1nc2ccccc2s1 920105727 DEDGKPYJKMZVJI-GBXCKJPGSA-N 441.556 5.009 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4ccccc4)n3)n2)cc1 920141513 PRQBWMPVNHDKCO-LJQANCHMSA-N 426.526 5.224 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4nccnc4c3)CCC2)cc1 1789626506 SFJSPJHWVSRELG-UHFFFAOYSA-N 442.563 5.370 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4c(C)cccc4[nH]3)CCC2)cc1 1790567071 GOSATCOLPPYVSF-SFHVURJKSA-N 446.551 5.025 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cn4c(F)cccc4n3)cc2)CCC1 1790915040 CJSGAYKOMVXVMQ-UHFFFAOYSA-N 448.542 5.214 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)c(Cl)cc1C)C2 1798339709 ADUABKCFGPEQLK-XMTFNYHQSA-N 435.395 5.322 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3ccoc23)[C@H]1c1cccnc1 1802499030 FKBIXATXHBLIDM-GMAHTHKFSA-N 445.563 5.140 30 20 IKED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1 1812805001 ZDUVLPDADJFSFM-MZYLBHOOSA-N 447.689 5.038 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@H](C)c2ccccc2)n[nH]1 1822040673 IUBUXYBOCCFWCE-WPYKKVEZSA-N 434.584 5.364 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccsc2)CC1 1825794725 UPLUNFAZFZHLNK-QFIPXVFZSA-N 444.717 5.033 30 20 IKED Cc1ccccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1829944037 RFHOCNUOLYPKPV-XMMPIXPASA-N 449.982 5.067 30 20 IKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)cc1 1830064187 GPJHSZPOHLBGCN-QHCPKHFHSA-N 449.982 5.067 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)C1 1846894988 ICNLTZLHQABCIX-UHFFFAOYSA-N 442.909 5.168 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)nnc1-c1cccc(C)c1 10241342 AIYMUTYROGYCPP-JOCHJYFZSA-N 438.572 5.184 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)NCc2ccccc2)cc1 22730696 NBOUWNUCTFVINW-UHFFFAOYSA-O 431.625 5.563 30 20 IKED COc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(C)c2)cc1 28777923 GZFZHRSJDKFQRO-UHFFFAOYSA-O 446.379 5.649 30 20 IKED Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccccc3F)n2Cc2ccccc2)cc1 60695446 UDTPYCJNHWJIQY-NRFANRHFSA-N 428.536 5.668 30 20 IKED Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)cc1NC(=O)c1ccccc1 78719005 QLVRMACTKADTTP-DEOSSOPVSA-N 425.532 5.540 30 20 IKED N#CCCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1)Cc1ccco1 96970572 YZNIYMDMGKVOFN-UHFFFAOYSA-N 435.336 5.064 30 20 IKED Cc1ccc(Cc2sc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)nc2C)cc1 111198096 OCPCQTADUNZTRT-UHFFFAOYSA-N 446.576 5.016 30 20 IKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccco2)c1 255144468 GBWUSIYCBVVGMN-JOCHJYFZSA-N 447.560 5.365 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)o1 303634359 QZHHNNSIXWDUCT-UHFFFAOYSA-N 434.345 5.063 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2cccc3[nH]ccc23)cc1Cl 426184127 QLBQFLAFSIKLRI-LJQANCHMSA-N 428.879 5.054 30 20 IKED Cc1nc(C(C)C)oc1CN[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 428353687 WDLFZUDGRZHDCZ-CQSZACIVSA-N 448.329 6.537 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(Cl)ccc3Br)cc2)nc1 430313131 FDZUWEDOYAKFMA-UHFFFAOYSA-N 428.673 5.414 30 20 IKED COCc1nc2cc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)ccc2o1 430796209 JVBOUZYZKTZLHV-UHFFFAOYSA-N 433.851 5.544 30 20 IKED Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 437820039 ITMVYZWTBDCYTG-UKILVPOCSA-N 444.579 5.171 30 20 IKED CCCOc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 439147289 MQPXNKYMIPYSFP-UHFFFAOYSA-N 429.476 5.025 30 20 IKED CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)N[C@H](CCC#N)c3ccccc3)cc2)cc1 439376453 VNRTYJPCIOQFKH-HSZRJFAPSA-N 449.532 5.049 30 20 IKED CCCc1c(NC(=O)c2sc(-c3ccc(C)o3)nc2C)cnn1-c1cccc(C#N)c1 440069208 JHJQDZGWIGMZCO-UHFFFAOYSA-N 431.521 5.282 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@@H](C)c2ccc(Br)s2)n(C2CCCC2)c1C 444757132 JOBSPEZHHOSHRF-ZDUSSCGKSA-N 449.418 5.205 30 20 IKED C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1 445932303 KZJJXQBRJGMXBK-UHFFFAOYSA-N 429.929 5.105 30 20 IKED N#CCCn1cc(CNc2ccc(C(=O)NC3CCCCC3)cc2)c(-c2ccccc2)n1 446887503 USUOCFFYWYQZRS-UHFFFAOYSA-N 427.552 5.138 30 20 IKED CCN(C(=O)c1oc2ccccc2c1CSc1nnc(C)s1)c1ccc(C#N)cc1 461548241 WZNLESVVMSFDBY-UHFFFAOYSA-N 434.546 5.423 30 20 IKED Cc1cccc([C@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)c1 461872279 RMTBIZUFRQLOCD-DNQXCXABSA-N 427.552 5.036 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[C@H](CSc3ccccc3)C2)cc1 464344057 UWQSDAUSJJDIGS-SFHVURJKSA-N 432.520 5.744 30 20 IKED C[C@@H]1CCN(CCOc2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2)C1 465195864 RYZRQSVCNBMFBL-HXUWFJFHSA-N 425.532 5.198 30 20 IKED CC(C)OC(=O)C[C@H]1CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 468149481 HVBFHPUBPOAGKX-OAQYLSRUSA-N 436.577 5.044 30 20 IKED CCc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccc(Cl)cc1 473487428 JYPQXNZZOZWDLH-HNNXBMFYSA-N 439.853 5.323 30 20 IKED CC(C)(C#N)c1ccc(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 475761535 WHMHYHSBQXIZAK-UHFFFAOYSA-N 430.379 5.189 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1cccnc1C(F)(F)F 475964239 IVWYOTGTMKHPCP-UHFFFAOYSA-N 432.242 5.313 30 20 IKED CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1 479641797 QGBUODSUHWAZTG-HKBQPEDESA-N 448.613 6.009 30 20 IKED CC(C)n1ncc2c1C[C@@H](NC(=O)Nc1ccc(Oc3ccc(C#N)cc3)c(Cl)c1)CC2 480137231 OQQXPCJQKBEKNE-IBGZPJMESA-N 449.942 5.460 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(COCc2ccccc2)cc1 480254990 PCPBWBRGXGQJSF-UHFFFAOYSA-N 432.523 5.872 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482389026 DXXXUOAURQGNEU-SFHVURJKSA-N 441.400 5.385 30 20 IKED CC(C)c1c(C(=O)[C@H](C#N)c2nccc3ccccc23)cnn1-c1ccc(C(F)(F)F)cn1 483225428 FCXRODPAUIYJPP-GOSISDBHSA-N 449.436 5.448 30 20 IKED Cc1nc2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)ccc2o1 483484719 KUYKVSMPDPEYEO-CQSZACIVSA-N 428.300 6.057 30 20 IKED N#CCCC[C@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 487346573 QXADJSLKOUNFAB-SFHVURJKSA-N 426.929 5.033 30 20 IKED C[C@H](NC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1nc(C(F)(F)F)cs1 489055790 SWKGJDJUPMKYRO-KGFZYKRKSA-N 449.779 5.618 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)n2)cc1 496569096 GOBSDNZVWXNMBI-HNNXBMFYSA-N 429.404 5.118 30 20 IKED C[C@@H]1CCCC[C@H]1OCC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 497783912 GSWNWUNQQPFYJJ-FZKQIMNGSA-N 437.487 5.158 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCc1cc2ccccc2nc1O 503299419 GDUKRNYLUZOCEZ-UHFFFAOYSA-N 439.490 5.426 30 20 IKED CC(C)Oc1ccc(-c2nc(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cs2)cc1 504711521 JMCCHKMFXUBQPT-UHFFFAOYSA-N 447.560 5.153 30 20 IKED Cc1ccc(C2(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)CCOCC2)cc1 505352749 YRQIEFBWFUSJGY-SANMLTNESA-N 440.543 5.003 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(OC)c(Br)c1 505578063 DKHLQIQJZYZNSA-OAHLLOKOSA-N 430.346 5.012 30 20 IKED N#C[C@H](NC(=O)CSCc1coc(-c2ccccc2)n1)c1ccc(Cl)c(Cl)c1 505916726 IAQGGDTXRVGXBD-SFHVURJKSA-N 432.332 5.263 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2ccc(C)cc2)cc1 508265055 BLAZBKKGOIQZOZ-QHCPKHFHSA-N 427.504 6.037 30 20 IKED C=CCn1c(-c2ccccc2OC)nnc1N1CCC(c2c[nH]c3ccc(OC)cc23)CC1 508889476 SNXPULLWSWLPHI-UHFFFAOYSA-N 443.551 5.014 30 20 IKED C=CCn1c(-c2cccc3ccccc23)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 508945825 OFZYXNNGOLRCCG-UHFFFAOYSA-N 437.547 5.139 30 20 IKED CCN(C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C)[C@@H](C)c1ccc(C#N)cc1 509564588 OTJQBVCALZJNLG-KRWDZBQOSA-N 427.508 5.367 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 512546400 UTWMMEGLJQAEGP-AWEZNQCLSA-N 445.500 5.044 30 20 IKED C=C(CNC(=O)N1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1)c1ccccc1 512665112 DNCYXSXKWKUSIG-HXUWFJFHSA-N 433.577 5.421 30 20 IKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 513096789 QAGZEFHTYDSXJM-ZDUSSCGKSA-N 431.393 5.127 30 20 IKED N#Cc1cccc(NC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)c1 514993563 JLJZPJIIJVZQFI-LDADJPATSA-N 440.484 5.646 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Oc2ccccc2OC)cc1 516267350 BBVYXYDMFLWPIL-UHFFFAOYSA-N 434.540 5.875 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 518259422 KYACAQPERMYOMA-KRWDZBQOSA-N 431.005 5.330 30 20 IKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1cc(F)ccc1F 519431837 RMGSVMHBPYNPOO-NSHDSACASA-N 429.414 5.428 30 20 IKED CCCOc1ccc([C@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1OC 521091559 SHAWHONGUACDDW-KRWDZBQOSA-N 431.492 5.034 30 20 IKED CC(C)(C)Cc1nc2cc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)ccc2o1 521179528 UAVWCQXQYCZFKT-UHFFFAOYSA-N 426.476 5.728 30 20 IKED CCOc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1F 521589033 QSLVACAWURXHMS-UHFFFAOYSA-N 435.455 5.219 30 20 IKED N#Cc1ccc(NC(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cc1Cl 521656890 ATXDSCXDRDNQPS-QGZVFWFLSA-N 428.678 5.263 30 20 IKED COc1ccc(-c2nc(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)cs2)cc1OC 522206794 QIBXSZXYHWRSRZ-AWEZNQCLSA-N 448.331 5.129 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2ncc(-c3ccccc3)o2)c1 522633091 BQWNLBVMXUHGKQ-UHFFFAOYSA-N 429.863 5.589 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccnc(Oc3ccccc3)c2)cc1 522830305 AWLFRONYAYNNEB-UHFFFAOYSA-N 435.483 5.771 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@H]2CC(=O)c2ccco2)cc1Cl 534884314 SYMAFVQISZCEME-SFHVURJKSA-N 434.879 5.475 30 20 IKED N#C[C@@H](C(=O)c1cn(-c2ccc(Br)cc2)cn1)c1nc(-c2ccccc2)cs1 535202928 RFWBVIGLFZNWSW-KRWDZBQOSA-N 449.333 5.248 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3ccccn3)ccc2Cl)cc1 535848701 AGRGEIFPCWSXNJ-UHFFFAOYSA-N 431.923 5.469 30 20 IKED COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1ccc(C3(C#N)CC3)cc1)CC2 537389586 NPVGZAUPACOYNO-SANMLTNESA-N 438.527 5.047 30 20 IKED CN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 543596732 UJRYRVSQBPEIAR-WIOPSUGQSA-N 445.494 5.874 30 20 IKED CC(=O)Nc1ccccc1-c1noc(-c2cccc(Oc3cccc(Cl)c3C#N)c2)n1 546250051 HISLGZGHJPANMV-UHFFFAOYSA-N 430.851 5.679 30 20 IKED Cc1c(C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)sc2ccc(C#N)cc12 550544611 ZJEPCERFGMOYFT-UHFFFAOYSA-N 437.952 5.613 30 20 IKED COc1ccc(Br)cc1-c1nc(CNC2(c3cccc(C#N)c3)CC2)cs1 551714093 SETXMJODJRLOOU-UHFFFAOYSA-N 440.366 5.232 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3cccc(NC(=O)C4CCCCC4)c3)CC2)c(F)c1 552341592 ORHJMRJWISYUBN-UHFFFAOYSA-N 448.542 5.071 30 20 IKED N#CC1(c2ccccn2)CCN(Cc2csc(-c3cccc(Br)c3)n2)CC1 554559609 LNRXXLKUCKTCOR-UHFFFAOYSA-N 439.382 5.025 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 571812543 OOGDQYAWBHCNFX-UHFFFAOYSA-N 443.404 5.122 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)cc1C 572887026 HYNTUPFYDVHEAJ-FYYLOGMGSA-N 426.564 5.407 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCCC[C@H]3c3nnc(C4CCC4)o3)cc2)ccn1 576674524 VMPUQTKTGBVECT-NRFANRHFSA-N 444.495 5.155 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)SCC(=O)N4)cc2Cl)cc1 579768623 MUODCVIOWLEAJW-UHFFFAOYSA-N 435.892 5.300 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CC=C(c4c(F)cccc4F)CC3)cc2)ccn1 580131961 MFAUMMDUEGLFKM-UHFFFAOYSA-N 432.430 5.345 30 20 IKED N#C[C@@H](C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1nc(-c2ccccc2)cs1 580563092 YCDFHJYPAYMTHJ-NRFANRHFSA-N 447.523 5.548 30 20 IKED CC[C@H](c1cccc(OC)c1)N(C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 582570057 VUKRWGDBNNEOBA-XMMPIXPASA-N 448.567 5.038 30 20 IKED N#Cc1ccc(OCc2nnc(N3CCC[C@H]3c3ccccc3)n2Cc2ccccc2)cc1 589638601 AHLIVOJPRVCULK-VWLOTQADSA-N 435.531 5.119 30 20 IKED Cc1ccccc1-c1nc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cs1 589830018 CWCWJERPSNQBHR-CQSZACIVSA-N 443.475 6.237 30 20 IKED N#C[C@@H](C(=O)c1ccc(-n2cnnc2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 591862058 LEMGLRGVSGEKAM-INIZCTEOSA-N 440.315 5.188 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1nc2cc(F)ccc2s1 592973587 BTUNTNUXCMXXOE-LBPRGKRZSA-N 431.279 5.418 30 20 IKED N#CCc1ccc(OCc2cccc(N[C@H](C(=O)N3CCCCC3)c3ccccc3)c2)cc1 604046223 SVAPDFSOUZSSKB-MHZLTWQESA-N 439.559 5.497 30 20 IKED C=CCCCCCN(C)C(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1 606950591 JVVOVDLOGCUCMQ-UHFFFAOYSA-N 433.552 5.915 30 20 IKED Cc1nn(C(F)F)c(C)c1CC(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F 607536448 SRUMXWWILFPRNH-UHFFFAOYSA-N 443.388 5.452 30 20 IKED O=C(NCCc1nc(C(F)(F)F)cs1)Nc1ccc(C(F)(F)C(F)(F)F)cc1 608300881 XMRKRUVVSLWWCB-UHFFFAOYSA-N 433.324 5.180 30 20 IKED O=C(Nc1cccc(CC(F)(F)F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 608334488 WQYYPCDQTYMXPP-PJXYFTJBSA-N 436.318 5.822 30 20 IKED N#CCCCOc1cccc(/C=C2/CCn3c2nc2scc(-c4ccccc4)c2c3=O)c1 608845752 CZUDZOJFTQBYOX-HKWRFOASSA-N 439.540 5.752 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)cc1 608962274 CJOYSODGZHKDHQ-UHFFFAOYSA-N 444.947 5.942 30 20 IKED CSCc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 608970893 KGKDNWQYFCTNIC-UHFFFAOYSA-N 447.585 5.404 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(OCc2ccccc2F)CC1 611497549 HIEFYQNTKMOPBH-UHFFFAOYSA-N 430.479 5.311 30 20 IKED C[C@H](NC(=O)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1)c1cccc(C#N)c1 612469214 PLTQERRGDVVSJS-SJCJKPOMSA-N 440.263 5.375 30 20 IKED COc1ccc(Cc2nc(C)c([C@H](C)NCc3ccc(C#N)c(Cl)c3)s2)cc1OC 619755540 KOTDCPWMEYJXFN-AWEZNQCLSA-N 441.984 5.435 30 20 IKED CC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 642281760 PVMBJIAGSDTVFV-INIZCTEOSA-N 430.316 5.565 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2cnn(C(C)C)c2n1 642282229 WOFBSAVIRUUNAE-CQSZACIVSA-N 443.454 5.439 30 20 IKED N#Cc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnc1C(F)(F)F 645955574 MXDBYWNDPWBWNM-NSHDSACASA-N 440.328 5.091 30 20 IKED N#C[C@H](C(=O)c1ccc(Br)c(OC(F)(F)F)c1)c1ccc2ccccc2n1 670115211 UEIOWDRCZJSHHY-ZDUSSCGKSA-N 435.199 5.386 30 20 IKED C=CCn1c(S[C@H](C(=O)NCc2ccccc2)c2ccccc2)nnc1-c1ccoc1C 677843895 OLUQSMXLJJQKIM-QFIPXVFZSA-N 444.560 5.182 30 20 IKED CN(CC#N)Cn1nc(-c2cccc(Cl)c2)n(-c2ccccc2C(F)(F)F)c1=S 725771699 GILIXQCDQZEUBI-UHFFFAOYSA-N 437.878 5.155 30 20 IKED O=[N+]([O-])c1cc(C=NOCc2ncc(-c3ccc(Cl)cc3)o2)ccc1N1CCCC1 727470314 QBUIQRTWZUXNLY-UHFFFAOYSA-N 426.860 5.054 30 20 IKED N#C[C@@H](C(=O)CSC[C@@H]1CCCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 727626805 GARRAMMJHXHBIQ-ZFWWWQNUSA-N 441.405 5.595 30 20 IKED Cc1cc(-c2noc([C@H](C)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)n2)ccc1F 728297554 JJMOTPWOZFODFG-INIZCTEOSA-N 446.457 5.947 30 20 IKED C[C@H](SCCCOc1ccc(C#N)cc1)c1nc(O)c2c(-c3ccco3)csc2n1 729856129 YORXWUPYOPADOS-AWEZNQCLSA-N 437.546 5.792 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC(c3ccccc3C)CC2)c1=S 730255424 VQPXASWRYLEITQ-UHFFFAOYSA-N 434.609 5.421 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)c1 730396097 MTRHPTLMFUGWED-QHCPKHFHSA-N 432.907 5.118 30 20 IKED N#C[C@H](C(=O)CCc1cc(Br)cs1)C(=O)Nc1ccc(Cl)cc1Cl 730686461 GOZRECPTNJMQQS-GFCCVEGCSA-N 446.153 5.098 30 20 IKED CC(C)Sc1ccc(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 731073091 AFEXHSSPHYJNLC-MRXNPFEDSA-N 428.579 5.377 30 20 IKED Cc1oc(-c2ccsc2)nc1CON=C(Cc1nc2ccccc2n1C)c1ccccc1 731664897 ZMDXXQFRKSIWIX-UHFFFAOYSA-N 442.544 5.762 30 20 IKED O=S(=O)(c1ccccc1NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(F)F 731966441 HYQHFNFCXPLASG-RKDXNWHRSA-N 425.341 5.004 30 20 IKED C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(OCc2ccccc2C#N)cc1 732017938 AVVCWFYOVJZTLV-XMERXJNXSA-N 426.516 5.128 30 20 IKED N#CCOc1ccc(CNC(=O)c2ccc(Oc3cccc(Br)c3)cc2)cc1 732760652 HBNPTEFGNFNGKX-UHFFFAOYSA-N 437.293 5.074 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c23)c1 733772984 KARGVSSGINLSBF-FQEVSTJZSA-N 440.503 5.118 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)c1 733844502 LXOBDIROYMWZMG-LJQANCHMSA-N 436.899 5.530 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nc2ccccc2s1 734207796 JXMXRUMCBZOBHZ-KXBFYZLASA-N 446.963 6.488 30 20 IKED Cc1ccccc1COc1c(C)cc(CN(C)C(=S)Nc2ccccc2C#N)cc1C 734381922 WOTWKOGFDYFIAX-UHFFFAOYSA-N 429.589 5.891 30 20 IKED CCN(C[C@@H](C)C#N)C(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1 735037984 OYNQNJZRIVEOGE-IBGZPJMESA-N 427.504 5.353 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740453570 JHMBERIYFZJMBG-INIZCTEOSA-N 432.574 6.003 30 20 IKED N#Cc1ccccc1NC(=S)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl 743008998 KTKZQDLWWMVNKS-JOCHJYFZSA-N 435.936 5.059 30 20 IKED COC(=O)[C@@H](Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1Cl 743470181 YHSRAOJRMIAGPH-IRLDBZIGSA-N 425.315 5.975 30 20 IKED C[C@H](NC(=O)C(=O)Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1)c1cccc(C#N)c1 743997033 LHHJQFBPGHITJD-AWEZNQCLSA-N 438.314 5.348 30 20 IKED CC[C@@H]1CN(C(=O)NCc2ccc(OC)c(O[C@@H](C#N)CC)c2)CC[C@H]1c1ccccc1 746418714 XAYWKGBWASWUJR-YMPZKCBVSA-N 435.568 5.101 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)c1ccccc1NC(=O)c1ccccc1 748021115 SPXNAHIUPVKXOR-DFBJGRDBSA-N 442.515 5.518 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2cccs2)C(=O)N[C@@H]1c1ccc(C#N)s1 749015278 SJIAGRNMHYFFFH-HXUWFJFHSA-N 437.521 5.087 30 20 IKED CCN(C(C)=O)c1nc(/C=C/C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 750915027 BSTKDXOIBWWQFK-SNAWJCMRSA-N 436.377 5.450 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3c(-c4ccccn4)nc4ccccn34)c2)c1 751301737 GRHFKBIGGNOOBO-UHFFFAOYSA-N 445.482 5.099 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(CCC#N)CC(C)C)c(OC)c1 751372893 DCBSIMDNNXXGAQ-UHFFFAOYSA-N 433.552 5.183 30 20 IKED O=C1/C(=C\c2csc([N+](=O)[O-])c2)CC2(CCOCC2)C/C1=C\c1csc([N+](=O)[O-])c1 751516555 DDIGQBVLZBKVFK-OPCYYNASSA-N 446.506 5.253 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@@H]2Cc2ccccc2Cl)cc1C#N 752305594 PNPOCIZWDNWTAP-GOSISDBHSA-N 426.904 5.019 30 20 IKED CC1([C@H]2CCCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2)OCCO1 752502650 WIIQTDZIBLSXHM-RXVVDRJESA-N 439.943 5.002 30 20 IKED C/C(=C\C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1OC(F)F 753396964 WWQUCPSPIKVSSQ-HKUPYCBJSA-N 439.245 5.346 30 20 IKED C=CC[C@@H](NC(=O)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1)c1ccncc1 753637510 LYDPMHPOPMZQEV-DENIHFKCSA-N 437.588 5.184 30 20 IKED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 753889299 CPBYAVURHXODMZ-RVKKMQEKSA-N 431.561 5.442 30 20 IKED CN(C)c1cc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)ccn1 754268895 FLYXOSZYPNEFIJ-OAHLLOKOSA-N 445.329 5.578 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1occc1COc1cccc(C#N)c1 754435935 YHWPQBAQUJPVIR-UHFFFAOYSA-N 447.491 5.638 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc(F)cc(C(F)(F)F)c1 756234885 YXJFXFYTSXCYOP-AWEZNQCLSA-N 432.345 5.120 30 20 IKED Cc1nccn1-c1ncccc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 761336940 AXMCVAZEKVBSBL-UHFFFAOYSA-N 429.867 5.145 30 20 IKED N#Cc1ccc([C@@H](O)CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)cc1 763231899 LWWGSDVQGVUVOO-QFIPXVFZSA-N 446.963 5.209 30 20 IKED COc1cc(/C=C/C(=O)c2sc(-c3ccccc3F)nc2C)ccc1OCCC(=O)O 763373359 KWIUZQUHYGGJNI-VQHVLOKHSA-N 441.480 5.016 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OC[C@H](C#N)Cc1cccs1 772735806 MAEATSVRYIJYKN-CABCVRRESA-N 446.981 5.604 30 20 IKED CCOc1ccc([C@@H]2CCCN2C(=O)CSCc2cc(Cl)ccc2OCC#N)cc1 773440301 KYVDUARDHKVSEL-NRFANRHFSA-N 444.984 5.238 30 20 IKED CC(C)(C#N)CCOC(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 776363833 PSTNUWAVUROPGI-UHFFFAOYSA-N 434.443 5.111 30 20 IKED CC(C)N1C(=O)C[C@H](C(=O)[C@H](C#N)c2ccc3ccccc3n2)[C@H]1c1ccc(Cl)c(F)c1 776506557 JTWYNYSNIQODDD-HOOSLVGPSA-N 449.913 5.202 30 20 IKED C[C@H](Oc1ccc(Cl)cc1Cl)[C@@H](C)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 777114314 IVRFPDYHNZDQFA-CABCVRRESA-N 434.367 5.094 30 20 IKED N#Cc1cc(N[C@H]2CCc3c(Cl)cc(Br)cc32)ccc1N1CCC(O)CC1 777117366 YKDGESABMMVCGR-FQEVSTJZSA-N 446.776 5.035 30 20 IKED CC(C)Oc1ccc(-c2cccc([C@@H](C)N(C)C(=O)NCc3ccc(C#N)cn3)c2)cc1 780651700 RHJNRAHAPQFZMZ-LJQANCHMSA-N 428.536 5.310 30 20 IKED N#Cc1ccc([C@H](O)C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCC3)cc1 780936518 BGDJZLPTKNZPKU-FQEVSTJZSA-N 431.542 5.057 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2nc(-c3ccc(Cl)c(Cl)c3)oc2C)c1 781762167 OZJXWPYFQPQWSC-HNNXBMFYSA-N 428.275 5.226 30 20 IKED N#C[C@@H](C(=O)CN1CCC[C@H]1c1ccc(Br)s1)c1nc2ccccc2s1 784525366 DHMVTRKEKLQWKQ-JSGCOSHPSA-N 446.395 5.134 30 20 IKED O=C(/C=C/c1cc(Br)c(Cl)s1)c1ccc(S(=O)(=O)C(F)F)cc1 790220517 XPNUSFJFLSWOFY-ZZXKWVIFSA-N 441.702 5.056 30 20 IKED N#C[C@H](C(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1cnc2ccccc2n1 792101586 BLISYZLXBKCKRK-BXKMTCNYSA-N 431.467 5.618 30 20 IKED CN(C(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)c1cc(Cl)ccc1C#N 796776009 RKRZAZFRTMBGCM-UHFFFAOYSA-N 425.916 5.176 30 20 IKED C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)N(C)CC(F)(F)F 798816450 LVUVJTVKXPHGEJ-CABZTGNLSA-N 436.286 5.176 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cnn(C3CCCC3)c2)cs1 799894985 BGWJLVNOVRSWTN-FLIBITNWSA-N 440.956 5.689 30 20 IKED C#C[C@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(Cl)cc1F 809698529 FMIOPTLAXQUQBZ-QFIPXVFZSA-N 427.306 5.849 30 20 IKED C#C[C@@H](NC(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1)c1ccc(Cl)cc1 810178789 WBHVHDNJJDVVIH-OAQYLSRUSA-N 435.886 5.156 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1ccc(N2CCCCC2=O)cc1 810184226 OAQMXGIKYHWNCH-ROUUACIJSA-N 436.581 5.480 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ncc(-c4ccccc4Cl)o3)n2)cc1 915099793 BKCGXQQGVZDTKS-SFHVURJKSA-N 447.947 6.236 30 20 IKED Cc1ccc(Cn2cc(C=Nn3c(C)nc4ccccc4c3=O)c(-c3ccc(C)cc3)n2)cc1 917208210 FRLZWZGYHDASQT-UHFFFAOYSA-N 447.542 5.116 30 20 IKED CCCn1c(C=Nn2c(S)nnc2COc2ccc(C(C)(C)C)cc2)nc2ccccc21 917538935 ZRPYSMZDNATPML-UHFFFAOYSA-N 448.596 5.085 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\C(=O)c3c(O)ccc(F)c3[C@H]2C)cs1 917560268 UNDXWNHWTOIFES-RCEBRVLHSA-N 442.899 5.709 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(OCC#N)cc2)cs1 917562368 GGAKXSPLTZLBRU-IZZDOVSWSA-N 437.908 5.280 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ccc(F)cc2F)cs1 920356408 KNPRCRSKINZTPB-UHFFFAOYSA-N 440.397 5.571 30 20 IKED Cc1cc(Cl)ccc1O[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920804601 WTIFVXZOGZKMNJ-TZMCWYRMSA-N 432.879 5.694 30 20 IKED CCOc1ccc(/C=C\C(=O)c2cnc3sc(C(=O)OC)c(C)c3c2)cc1OCC 920991461 JMALHGFGHBRLPH-CLFYSBASSA-N 425.506 5.085 30 20 IKED CSc1nc(O)c(C(=O)O[C@@H](C)c2ccccc2OCc2ccc(F)cc2)cc1C#N 1129265008 YRKMKGVINXVEMU-AWEZNQCLSA-N 438.480 5.017 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCc3cccc(OC)n3)cc2)CCC1 1786811850 HIBQAMCXNFSNOY-UHFFFAOYSA-N 449.595 5.149 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc5ccccc45)CCC3)cc2)c1 1790257443 ZHPXVQQJUHBYCC-UHFFFAOYSA-N 446.510 5.168 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2)CCC1 1790345573 ZDRQIOVUSYLDMX-UHFFFAOYSA-N 448.897 5.308 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(Cl)ccnc5c4)cc3)CCC2)C1 1790837482 ZGPVHOCWWIYCQR-UHFFFAOYSA-N 445.950 5.602 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4nn(C)cc4c3)cc2)CCC1 1790854618 KYUMCNLWPBSQCL-HSZRJFAPSA-N 442.563 5.089 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(F)(F)F)ccn3)CCC2)cc1 1791249665 XKVJKHBLBPQCQU-OAHLLOKOSA-N 431.458 5.060 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)CCCCn3cccc3)CCC2)cc1 1791298560 BCLHTILXVSJTLC-UHFFFAOYSA-N 429.511 5.004 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc(Cl)c3OC)CCC2)cc1 1791729994 BGVYJLKCAMNIPU-UHFFFAOYSA-N 438.955 5.290 30 20 IKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccc(Cl)cc2)o1 1796963891 DEXXMILJEBZKDC-WKCHPHFGSA-N 438.955 5.045 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccncc1-c1cccc(C)c1)C2 1798593054 JFUUEPSZTARTMM-NUNAXRQHSA-N 445.607 5.301 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c(C(C)(C)C)c2)n[nH]1 1816109921 BVDPPFRDOLSYFM-QUCCMNQESA-N 437.588 5.110 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ccccc23)n[nH]1 1818452751 CBESDLXWPXPKTE-HYBUGGRVSA-N 442.563 5.637 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2)[nH]n1 1819305154 PAKUGNPYNFZCIM-FPOVZHCZSA-N 440.975 5.066 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CC2)C1 1825572985 PZMMZCYPUGQLEB-VWLOTQADSA-N 449.570 5.020 30 20 IKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc3ccccc3c2)CC1 1826400566 PVDJULCROODQMF-MHZLTWQESA-N 444.619 5.196 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)Oc2ccccc2)CC1 1830401760 RFHFDIVPIRHERU-ZJSXRUAMSA-N 440.628 5.066 30 20 IKED CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)CCCCC1 1831791412 YKJGKAMOSPQLKF-RUZDIDTESA-N 449.639 5.081 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)(C)C)cc1)=C(/S)Nc1cccc(C)c1C 10167904 SPJCAUBJCSVAGZ-UHFFFAOYSA-O 445.652 6.502 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccccc2CC)c1 10174765 ORJNKXJMNRWQLO-UHFFFAOYSA-O 431.625 6.273 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(C)c(C)c2)[n+]2ccc(N(C)C)cc2)c1 14872168 JKLGPBJFBZDCGT-UHFFFAOYSA-O 432.613 5.270 30 20 IKED CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)Nc1ccc(CC#N)cc1 15499522 RHEZALXTFWQYOD-MRXNPFEDSA-N 433.533 5.097 30 20 IKED CNC(=O)c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1Cl 64301736 QCIHSOMVCNHTCE-UHFFFAOYSA-N 435.936 5.116 30 20 IKED Cc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1C 64530881 XRCICWAYMAZXPJ-MHZLTWQESA-N 439.559 6.318 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2Br)cc1Cl 107876944 UMDAEGBNYWRGSX-SFHVURJKSA-N 425.713 6.010 30 20 IKED Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3cccc(OCC#N)c3)[C@H]2c2cccs2)cc1 107966438 UBCXRNSGUQIWEF-URXFXBBRSA-N 445.544 5.082 30 20 IKED C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 108374935 CAJGVVPMTQBHTC-UUOWRZLLSA-N 439.515 5.178 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1 109667595 BRJZXZGDAQKHRW-QHCPKHFHSA-N 434.540 5.008 30 20 IKED O=C1C=C2C(=Nc3c(ccc4ccccc34)C23c2ccccc2-c2ccccc23)c2ccccc21 169558220 SYIRVEAUWORVQQ-UHFFFAOYSA-N 445.521 7.412 30 20 IKED N#CCCn1ncc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c1-c1ccccc1 428245591 ZVKTXRHUGRZYBP-UHFFFAOYSA-N 429.549 5.308 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)cc1 431816935 APIDPBNBRKTXPW-FQRUVTKNSA-N 441.535 5.123 30 20 IKED C[C@@H]1CCC[C@@H](OCc2cccc(NCc3cn(CCC#N)nc3-c3ccncc3)c2)C1 433338950 JHRUYODRSWWVBR-CJFMBICVSA-N 429.568 5.566 30 20 IKED COc1ccc(-c2ncc(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)s2)cc1OC 436035115 PKXDAPZLLOSLLS-AWEZNQCLSA-N 448.331 5.129 30 20 IKED Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c3c(C)noc3n2)cc1 436356692 BXTHMYWADCMLKM-ISKFKSNPSA-N 436.515 5.419 30 20 IKED C=CCn1c(SCc2csc(-c3ccc(O)c(OC)c3)n2)nnc1-c1ccccc1 436931508 KRHLKTWNDKTHTQ-UHFFFAOYSA-N 436.562 5.261 30 20 IKED Cc1ccc(Oc2ccccc2NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)cc1 437068453 ITBGAYXYRUQDAF-UHFFFAOYSA-N 429.476 5.047 30 20 IKED C[C@H]1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)[C@H]1c1ccc(C(F)(F)F)cc1 437758851 NEPURDRDXSNUKN-GCKMJXCFSA-N 447.526 6.715 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 437839374 MNLKCSLLFBYJNK-CJAUYULYSA-N 445.494 5.792 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(COCc2ccccc2)cc1 438383071 YIRZXEBORDPWBK-UHFFFAOYSA-N 427.548 5.965 30 20 IKED C[C@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)Nc1ccccc1OC(F)F 439675515 ROBVEECNMPEUAN-AWEZNQCLSA-N 441.409 5.530 30 20 IKED CC[C@@H]1CCCC[C@H]1N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 441773538 FOOHJRDTQMWTGH-RHSMWYFYSA-N 441.519 5.077 30 20 IKED C[C@@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 442053300 IFJQZPDOZFATPP-GOSISDBHSA-N 443.572 5.918 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3c(F)cc(Br)cc3F)c2)cc1 443887839 XJZALDAXUUXUCA-UHFFFAOYSA-N 429.220 5.644 30 20 IKED N#C[C@@H](C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1nc2cc(Cl)ccc2s1 444454921 QCFUFMKWXQIBOP-INIZCTEOSA-N 429.888 5.434 30 20 IKED Fc1ccc(-c2nc(CN[C@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)co2)cc1 444733574 LKYDHEIHSUCVHC-QGZVFWFLSA-N 432.339 6.283 30 20 IKED CCOC(=O)[C@H]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c2ccccc21 446243754 KBSDIDHIIPSULH-DEOSSOPVSA-N 440.499 5.242 30 20 IKED N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccc3ccccc3c2)c1 447125858 RZOFSANIOORGMV-XMMPIXPASA-N 439.902 5.209 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C(=O)OC)c1ccc(Cl)cc1Cl 463271114 IMRULRATMKURIN-IBGZPJMESA-N 448.375 5.368 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc1NC(=O)Nc1ccccc1 464479665 XCBCJBJTNRFJLE-GOSISDBHSA-N 438.409 5.543 30 20 IKED C[C@H](C(=O)N(Cc1ccncc1)c1ccc(F)c(Br)c1)c1cccc(C#N)c1 464490246 LBWAQIMMYNMAAM-HNNXBMFYSA-N 438.300 5.192 30 20 IKED COc1ccc(C(C)(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1OC 466334736 NDWKEGNLXAADQQ-UHFFFAOYSA-N 430.504 5.071 30 20 IKED C[C@H](N(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(C)(C)C 470548121 VKMUWJZVZUXVLF-FQEVSTJZSA-N 446.595 5.738 30 20 IKED N#CC[C@H](CC(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1)c1ccccc1 475104734 WWHGTSYMDPOTJQ-GOSISDBHSA-N 431.363 5.245 30 20 IKED N#CC[C@@H](CC(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1)c1ccccc1 475164348 NANXEGRFSZWYOT-SFHVURJKSA-N 432.911 6.010 30 20 IKED COc1ccc(CNCc2nc(-c3cc4ccccc4o3)cs2)cc1OCCCC#N 479415233 CSXLGDZUTWFCFT-UHFFFAOYSA-N 433.533 5.537 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cnn(-c2ccc(C)cc2)c1C(C)C 482099746 HEKJGGBBEBTTKO-UHFFFAOYSA-N 434.588 5.692 30 20 IKED C=CCN1CCC(N[C@H]2CCCc3nc(-c4ccccc4Br)sc32)CC1 482631001 RICIAPVVVALTTM-SFHVURJKSA-N 432.431 5.190 30 20 IKED CC(C)(C)n1cc(C(=O)[C@H](C#N)c2cnc3ccccc3n2)c(-c2ccc(F)cc2F)n1 483188742 BKWZMSBEVQZIAJ-MRXNPFEDSA-N 431.446 5.017 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)C[C@H](c2ccccc2)C(F)(F)F)cc1 483438875 MUIXRHIXGCPJDB-JOCHJYFZSA-N 438.449 6.006 30 20 IKED CC(C)CCn1ncc(NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)c1C(C)C 488342605 DRNQWHKAPBXRHH-QGZVFWFLSA-N 441.601 5.024 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4ccccc4n3CC(F)(F)F)n2)cc1 489852615 KEKXUUUMJLVICI-KRWDZBQOSA-N 439.462 6.126 30 20 IKED N#C[C@@H](C(=O)c1cc2ccccc2n1CC(F)(F)F)c1nc2ccccc2n1C(F)F 489855124 NTXRWAUAVSVTLY-ZDUSSCGKSA-N 432.352 5.438 30 20 IKED C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1cccc(Cl)c1Br 491597205 SFJZXZAYUOJEEF-LLVKDONJSA-N 445.791 5.155 30 20 IKED C[C@H](NC(=O)Nc1nc(C2CCOCC2)cs1)c1ccc(-c2cccc(C#N)c2)cc1 494301694 QXIIVBFBIIDTRR-INIZCTEOSA-N 432.549 5.458 30 20 IKED C[C@@H](Nc1cccc(OCc2cccc(F)c2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 495548203 OTVUJVHYEZRPRG-OAHLLOKOSA-N 435.524 5.266 30 20 IKED Cc1ccc(C(=O)N[C@H](CC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c2ccccc2)cc1 503838585 ABPVCQNNHVMQEM-HHHXNRCGSA-N 449.554 5.044 30 20 IKED C=CCOc1ccc(CNCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1Cl 504169991 RROACFPEWZINOA-UHFFFAOYSA-N 443.978 6.106 30 20 IKED CCn1c(SCC(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)nnc1-c1ccccc1C 505821760 QJMIKABPSBBRPT-OAQYLSRUSA-N 447.608 5.044 30 20 IKED Cc1c(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)sc2ccc(C#N)cc12 508226017 WMTKTVHPRYYBFZ-UHFFFAOYSA-N 444.478 5.536 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 508292364 MUNDCEGCZUFCID-QHCPKHFHSA-N 443.503 5.737 30 20 IKED C=CCn1c(-c2ccccc2C)nnc1N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 508876382 XJCKHHJQPLKGOJ-IBGZPJMESA-N 444.514 5.013 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1 510195796 FYIHYBJKVLFVDY-UHFFFAOYSA-N 448.544 5.022 30 20 IKED Fc1ccc(-c2noc(CN[C@H](c3ccc(OC(F)F)cc3)C(F)(F)F)n2)cc1F 510477882 GJBPOGRYYUXSPD-OAHLLOKOSA-N 435.299 5.009 30 20 IKED CCN(CC)c1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cn1 510750375 MNEHWFQBEKELCP-UHFFFAOYSA-N 429.524 5.222 30 20 IKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NCc1ccc(C#N)cc1F 513249223 NOQCJHOMEYTSDX-UHFFFAOYSA-N 427.401 5.889 30 20 IKED COc1ccc2cccc(CC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c2c1 513853169 SWSIHADCXDIYMY-UHFFFAOYSA-N 436.511 5.675 30 20 IKED C[C@H](NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1ccc(Oc2cccnc2)cc1 514170414 QQUFSPWOLRZXGO-PNTFMKQHSA-N 426.520 5.416 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 515594792 AIPKUSDIGJERBE-UHFFFAOYSA-N 436.515 5.387 30 20 IKED COc1ccc(-c2ccc(C(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)c(F)c2)cc1 515887136 FRXVKSIHBOAPBQ-UHFFFAOYSA-N 448.469 5.196 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C 517137851 JEFCOYHHPAJJTA-KRWDZBQOSA-N 439.556 5.725 30 20 IKED C=CCOc1ccccc1CNC(=O)Nc1ccc(CC(=O)N(CC)c2ccccc2)cc1 522093962 YTYXZSKUQOHZQS-UHFFFAOYSA-N 443.547 5.169 30 20 IKED CCN(CC)C(=O)[C@@H](Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1 522546216 CJOKGXWDSFHDRP-SANMLTNESA-N 427.548 5.353 30 20 IKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(F)cc1 523061926 AHFNGHBPCSWZAJ-QHCPKHFHSA-N 445.494 5.332 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCSC[C@H]2c2ccccc2)cc1Cl 523768702 ZFJSJDZNKSINCF-UPVQGACJSA-N 447.991 6.317 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 531825575 KUTBQVYLVAQKOH-UHFFFAOYSA-N 444.510 5.070 30 20 IKED C[C@](C#N)(CCc1ccccc1)NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 532686169 DAMGCZAYQVCCHU-OAQYLSRUSA-N 431.483 5.279 30 20 IKED C=CCC[C@H](NC(=O)N[C@H](c1ccccc1)c1nccn1C)c1ccc(C(F)(F)F)cc1 533528736 JULBMGYZFMBSJW-LEWJYISDSA-N 442.485 5.535 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CN(CCC#N)Cc2ccco2)cs1 535205624 JCNGTPFCCRNSIJ-UHFFFAOYSA-N 448.470 5.355 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC1CCN(Cc2ccc(C#N)cc2)CC1 539496518 NCQHXZGJOZTULC-QGZVFWFLSA-N 434.584 5.445 30 20 IKED Cc1cc(F)cc2c(=O)c(C(=O)N[C@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)c[nH]c12 539563350 GOSVJNUUGMIDPW-QGZVFWFLSA-N 446.322 5.028 30 20 IKED N#CCC1CCN(C(=O)Nc2ccc(OCc3ccccc3)c(Br)c2)CC1 541973221 BWGAIVLVXNBDRR-UHFFFAOYSA-N 428.330 5.186 30 20 IKED N#Cc1ccc(CN2CCC(Nc3cccc(COCCOc4ccccc4)c3)CC2)cc1 542831323 JFGVAVBFLSGFKV-UHFFFAOYSA-N 441.575 5.230 30 20 IKED C[C@H](O)CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C1CCCCC1 544537560 XBGNPZDCMICKQO-HTAPYJJXSA-N 425.960 5.543 30 20 IKED N#Cc1ccc(SCc2nc(-c3ccc(NC(=O)Nc4ccccc4)cc3)no2)cc1 545625469 VRWAOMFONVNEIB-UHFFFAOYSA-N 427.489 5.545 30 20 IKED N#C[C@@H](C(=O)c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1)c1ccncn1 546859444 JFWZBYZLYYHJQR-XMMPIXPASA-N 441.494 5.486 30 20 IKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1c(F)cc(F)cc1F 547663442 YBVVIFPRXARPMA-UHFFFAOYSA-N 447.253 5.238 30 20 IKED C[C@H]1CCC[C@H](OCc2cccc(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)c2)C1 548803338 TVMWVGZJLCDRNL-REWPJTCUSA-N 432.568 5.266 30 20 IKED N#Cc1ccc(-c2nnc(N3CCC(OCc4ccccc4)CC3)n2Cc2ccccc2)cc1 549130744 NVGHFQYILSSIBP-UHFFFAOYSA-N 449.558 5.051 30 20 IKED C[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 551823097 CIYBJWGEBLLBKJ-CQSZACIVSA-N 426.467 5.804 30 20 IKED Cc1ccc(C(=O)CC(C)(C)CC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 552686939 YPXUZLRIHRXJKT-UHFFFAOYSA-N 436.527 5.065 30 20 IKED CCN(C)C(=O)c1cccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 554168257 TXPLTTPXHHCWGY-UHFFFAOYSA-N 433.895 5.348 30 20 IKED CC(C)CNC(=O)c1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)cc1Cl 556336810 FFRJMSBHTZUCBP-UHFFFAOYSA-N 435.959 5.115 30 20 IKED C=CCC[C@H](NC(=O)NCc1ccccc1Cn1ccnc1)c1ccc(C(F)(F)F)cc1 558606331 ZVEGTFRLMIMUOZ-QFIPXVFZSA-N 442.485 5.457 30 20 IKED COc1ccc(-c2nc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)cs2)cc1OC 559319147 AOYWSUVBRYEYRO-CYBMUJFWSA-N 427.551 5.071 30 20 IKED CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 567315931 KUZQUCUWOGWXGI-OYHNWAKOSA-N 436.899 5.297 30 20 IKED N#Cc1cc(Oc2ccc(N[C@@H](c3ccccc3)c3nc(-c4ccccc4)no3)cc2)ccn1 573295493 ZVRADDJERAXEQX-VWLOTQADSA-N 445.482 5.997 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3ccc(C#N)c(Cl)c3)C2)n1 575039485 NRWMZWFFFNMQRZ-KRWDZBQOSA-N 437.952 5.364 30 20 IKED C[C@@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)Nc1cccc(Cl)c1Cl 576157341 PUEVPUKSQILYAT-CYBMUJFWSA-N 427.291 5.491 30 20 IKED N#Cc1ccc(CN(C(=O)C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)C2CC2)cc1 581563640 TUVNMDXPVLPDEY-UHFFFAOYSA-N 429.907 5.008 30 20 IKED CC1(C(=O)N2CCC(OC3CCCCC3)CC2)CCN(c2ccc(Cl)cc2C#N)CC1 586994535 LEZWVBMRACOYFY-UHFFFAOYSA-N 444.019 5.158 30 20 IKED CCN(CC)CCOc1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 604101049 YZPINTNFNQNGIF-UHFFFAOYSA-N 444.535 5.027 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c12 605363103 IZRGJTPUYRVISW-KRWDZBQOSA-N 441.878 5.461 30 20 IKED O=C(Nc1ccc(F)c(F)c1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 606157489 LKWFLORDMWYSAQ-UHFFFAOYSA-N 429.263 5.099 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc(-c3c(F)cccc3F)cs2)c1 608803901 FGRSEWBPCANLJB-UHFFFAOYSA-N 437.427 5.384 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCCc3nc(-c4cccs4)no3)cc2)c1 609063986 OONYLVXTQITABV-UHFFFAOYSA-N 444.516 5.210 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(OC)c1 609079026 XPHITUNBZOJWOV-UHFFFAOYSA-N 445.519 5.127 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccccc3SCC(F)(F)F)CC2)cc1 609147611 JCMKBZOQCAHVCO-UHFFFAOYSA-N 435.471 5.288 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(Oc4ccc(Cl)cc4)nc3)CC2)c1 609208041 YXOMJDXICDADDD-UHFFFAOYSA-N 448.910 5.474 30 20 IKED Cc1nc2ccccc2c(C)c1CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609378654 VYAKIHQJMZGJCO-UHFFFAOYSA-N 443.494 6.057 30 20 IKED N#CC1(C(=O)N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)CCCCC1 609446618 LCOONJKTGUGLRD-QHCPKHFHSA-N 436.600 5.176 30 20 IKED Cc1cc(C)n(-c2ccc(NC(=O)NC3CCC(Oc4ccccc4C#N)CC3)cc2F)n1 609553916 NEHNHTKQZWCUCC-UHFFFAOYSA-N 447.514 5.012 30 20 IKED C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 609927514 WBCDJUISVGNRLR-CYBMUJFWSA-N 425.838 5.248 30 20 IKED Cc1ccc([C@@H]2CCCCCN2C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)o1 609984682 WVDNGHDWUWURAO-FQEVSTJZSA-N 448.523 5.068 30 20 IKED Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cccc(Nc5ccc(C#N)cc5)c4)C3)[nH]c2c1 610011234 VZJBCLOOYMBAQX-OAQYLSRUSA-N 435.531 5.506 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H]3c3ccccc3OC(F)(F)F)n2)cc1 610150799 UBJXFUDHCKLPFA-CVEARBPZSA-N 429.423 5.323 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H](C[C@@H]3CCOC3)c3ccccc3)cn2)c1 611075211 NGIOASDKGJYCID-CVDCTZTESA-N 428.492 5.035 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nn1-c1ccccc1 613404912 QKYBKWNJCWJKRI-HNNXBMFYSA-N 426.423 5.299 30 20 IKED Cc1cc(C#N)ccc1CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1 614397323 KFTLEMRNPWOBKX-LJQANCHMSA-N 429.549 5.078 30 20 IKED C[C@@]1(C#N)CCCN(C(=O)Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)C1 614942465 GEMJTYKTHUKUAQ-NRFANRHFSA-N 426.929 5.900 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 618741183 BEHSWZCSWJSKDW-FQEVSTJZSA-N 438.281 5.266 30 20 IKED Cc1ccc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1C(F)(F)F 642468768 URRNJHWGDIXNTM-IAZYJMLFSA-N 436.318 6.045 30 20 IKED C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCCc2sccc2C1 642718036 GMPLRMVLFFKCGZ-UHFFFAOYSA-N 426.611 5.169 30 20 IKED Cc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cs2)n1C 677559436 KJPGLRBKBKBIAI-GFCCVEGCSA-N 446.479 5.576 30 20 IKED CC(=O)N(c1ccccc1)c1nc(C=NNc2ccc(C#N)c(C(F)(F)F)c2)cs1 726426380 WGFAXBIKTMFGFZ-UHFFFAOYSA-N 429.427 5.164 30 20 IKED COc1cccc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)c1OC(C)C 726626882 MGMKVMXKESRYIP-GIJQJNRQSA-N 444.965 5.413 30 20 IKED Cc1nc(/C=C\c2csc([N+](=O)[O-])c2)sc1C(=O)/C=C\c1csc([N+](=O)[O-])c1 726849173 XOQAVIVFQZEVLS-JVLMNHKTSA-N 433.492 5.457 30 20 IKED CCOc1cc(/C=C/C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc(Cl)c1OC 727267725 OAUZYGNWHLMNEP-VOTSOKGWSA-N 434.832 5.077 30 20 IKED COc1ccc(/C=C\C(=O)c2sc(-c3ccc(Br)cc3)nc2C)cc1O 727780608 PZORYWNEJCMFJL-OQFOIZHKSA-N 430.323 5.491 30 20 IKED N#CCOc1ccc(CNc2nc(-c3cccnc3)nc3sc4c(c23)CCCC4)cc1 727826249 JYVRXFGRFLWMNM-UHFFFAOYSA-N 427.533 5.147 30 20 IKED CCCCC[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 728145717 IMLLJWQCAZQXAU-IZZNHLLZSA-N 439.559 5.718 30 20 IKED Cc1nc(SCC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c2c(C)c(C)sc2n1 730417848 UQZFNGUFEKGTRJ-CYBMUJFWSA-N 442.566 5.334 30 20 IKED Fc1ccc(-c2nnc(S)n2N=Cc2sc(Nc3ccccc3)nc2Cl)cc1 730548389 ADIFCBSTQXYRCK-UHFFFAOYSA-N 430.921 5.109 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl 730686984 KRMZNUDLIUTHQL-KUHUBIRLSA-N 431.363 5.644 30 20 IKED C=CC1CCN(C(=O)c2ccccc2OCC(=O)Nc2ccc(SC(F)F)cc2)CC1 732002784 GOBLTJDUNRKGMX-UHFFFAOYSA-N 446.519 5.057 30 20 IKED FC(F)SCc1ccc(C=NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)o1 733080528 ZKXTXRKTRJYIHI-UHFFFAOYSA-N 429.374 5.052 30 20 IKED N#C[C@@H](C(=O)COc1ccc(-c2ccccc2)cc1Cl)c1nc(-c2ccncc2)cs1 734081686 QIDDWNDOYVZCLK-IBGZPJMESA-N 445.931 5.781 30 20 IKED COc1ccc(-c2nn(CN(CCC#N)C(C)C)c(=S)n2-c2ccc(Cl)cc2)cc1 739840932 AWIIKXWDKUIZGY-UHFFFAOYSA-N 441.988 5.314 30 20 IKED CCOC(=O)c1ccc(C#N)c(SCc2ccc(OC)c(SC(F)(F)F)c2)n1 741849245 CJEIVDMTAYUELU-UHFFFAOYSA-N 428.457 5.043 30 20 IKED Cc1cc([C@@](C)(O)CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(C)o1 743117753 YCUGNYNTUPCDDF-QHCPKHFHSA-N 439.899 5.243 30 20 IKED N#Cc1cc(NC(=O)Nc2ccc(OCC3CCCCC3)cc2)ccc1N1CCC(O)CC1 743133679 XVBCGZQKDPYNGN-UHFFFAOYSA-N 448.567 5.122 30 20 IKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 747976078 ODXCXUIDIYBLBU-URORMMCBSA-N 439.559 5.974 30 20 IKED Cc1nc(CCC(=O)O[C@H](C)c2ccc(C#N)cc2)oc1-c1ccc(Br)cc1 748679581 LGBIOERZSCRUQQ-OAHLLOKOSA-N 439.309 5.521 30 20 IKED Cc1ccc([C@H](Cn2ccnc2)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(C)c1 750294288 JOYMGRTZRUHVCW-SVBPBHIXSA-N 449.558 5.718 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)c3ccccc3NC(=O)c3cccs3)n2)c1 752373676 JJUCAQXTLALGCN-UHFFFAOYSA-N 430.514 5.248 30 20 IKED N#Cc1ccc(Br)c(COC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1 755528166 DUBUYKJNVISPMX-UHFFFAOYSA-N 445.700 5.305 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 758587568 YZLKMMMTOJHNEF-XUZZJYLKSA-N 445.519 5.045 30 20 IKED C[C@@H](NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1ccc(C(C)(C)C)cc1)c1cccs1 762441824 VRHDGALKTSFVLJ-QGZVFWFLSA-O 448.637 5.767 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1csc(Cc2ccccc2)n1 764752358 VIHTYEAXIMXHLI-UHFFFAOYSA-N 433.320 5.062 30 20 IKED CC(C)[C@H](C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 764755502 XCXLWVZRTYRAFK-LURJTMIESA-N 430.229 5.263 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)C[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 765405818 PNEIONMAMXHTSW-LJQANCHMSA-N 443.588 5.005 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](O)c1ccc(-c2ccccc2)cc1 767761115 BNMZTISWEMLSQQ-WZONZLPQSA-N 431.561 5.603 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(F)cc1C(F)(F)F 771871291 LYCXUFNUJNBUBR-UHFFFAOYSA-N 431.414 5.474 30 20 IKED CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)c1 772983429 HWWTZZDIEANTPP-SIKLNZKXSA-N 433.577 5.667 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC=C(c3ccc(Cl)nc3)CC2)cc1 773804700 TVBZOKMILLTTRG-UHFFFAOYSA-N 429.907 5.637 30 20 IKED N#C[C@@H](Cc1ccc(F)cc1F)OC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 774309728 GWWRHNRRBZJZBN-CQSZACIVSA-N 440.393 5.204 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N(Cc1ccccc1Br)C1CCCC1 780675214 AOGHTVWHDCHHSX-INIZCTEOSA-N 442.357 5.717 30 20 IKED CC(=O)c1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 783363092 BGQSURCGMHUYPY-KRWDZBQOSA-N 440.471 5.326 30 20 IKED Cc1ccc([C@H](O)c2ccccn2)cc1NCc1cccc(OCc2cccc(C#N)c2)c1 787001598 ZSAPQRFUUHCCEU-NDEPHWFRSA-N 435.527 5.535 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)/C=C/c1ccc2[nH]ccc2c1)c1ccc(Cl)cc1Cl 787054149 UFWMPFHJVNZOAH-IHYDJQHNSA-N 426.303 5.074 30 20 IKED CCc1cc(C#N)c(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2cc(C)nc(Cl)c2)s1 788432472 DVEUUBOGZALYGE-MRXNPFEDSA-N 448.976 5.134 30 20 IKED C#CCOc1ccc(NC(=O)N2CCC(c3nc(-c4ccccc4OC)cs3)CC2)cc1 792296919 CUYWARRFRGVAGM-UHFFFAOYSA-N 447.560 5.242 30 20 IKED C[C@@H](OC(=O)C[C@@H](CC#N)c1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1 795988140 FFXGWUHHTSJOPE-TZIWHRDSSA-N 428.488 5.437 30 20 IKED COc1ccc(C(=O)C[C@H](C)C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 796902326 BKZSEUMFMAZAJL-BBRMVZONSA-N 440.471 5.182 30 20 IKED COc1ccc(-c2csc3ncnc(NN=C4CCC(c5nc(C)no5)CC4)c23)cc1 797400753 NYMSBQDSQXDKKY-UHFFFAOYSA-N 434.525 5.184 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)OCc1ccccc1C(C)(C)C#N 799598459 ZOPJRNUWPFIXBB-DHLKQENFSA-N 443.547 5.111 30 20 IKED CCOc1ccc(-c2nc(CC)c(C(=O)OCCCC3(C#N)CCOCC3)s2)cc1 800223234 VRRUMQNRLSXAQG-UHFFFAOYSA-N 428.554 5.029 30 20 IKED C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1CCC(C(=O)C(F)(F)F)CC1 802562898 CDWYOHHMZKZZIS-UHFFFAOYSA-N 428.458 5.022 30 20 IKED C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N(C)c1cccc(C(C)C)c1 812186171 MNDIZAUEPGZWKW-UHFFFAOYSA-N 433.556 5.172 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc3c(C)ccnc3[nH]2)sc2ccc(Br)cc12 815962100 INRPZXOPWMILAT-CYBMUJFWSA-N 425.311 5.042 30 20 IKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cnn1-c1ccc(F)cc1F 915180210 LSQDSEKBAVJKOK-NRFANRHFSA-N 428.442 5.367 30 20 IKED CC(C)c1ccc(SCC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 916847067 KQQRKINDJKWPGA-QGZVFWFLSA-N 437.590 5.368 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccc(OC)cc2)c(C)s1 916905585 DYAQBFVYPPORER-QFIPXVFZSA-N 446.572 5.818 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C 916906805 JTHFCJYTDOAVQC-UQBPGWFLSA-N 441.575 5.800 30 20 IKED N#Cc1ccc(CSCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917042551 CXZZKULTOHAPNS-HNNXBMFYSA-N 431.464 5.296 30 20 IKED Cc1ccc(C[C@@H](C#N)SC2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(F)cc2)cc1 917905716 HZHVJBMUNCNERY-JECJHWOISA-N 441.531 5.746 30 20 IKED Cc1ccccc1C1(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCOCC1 919904656 REYMSSUMMOVKSQ-VWLOTQADSA-N 439.559 5.520 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCc3c(ncn3-c3ccccc3)C2)cc1 929076401 TWDBUBOSJQGLOD-UHFFFAOYSA-N 436.540 5.094 30 20 IKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccs4)CCC3)cc2)c1 1786041104 JFGYCDYACUDQDE-UHFFFAOYSA-N 429.545 5.000 30 20 IKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)CCCC(F)(F)F)cc3)CCC2)c1 1786621617 MAVFGEBQJXZYJV-UHFFFAOYSA-N 443.469 5.347 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3nn(CC)c4ccccc34)cc2)CCC1 1788368485 OFTJZGABKMUSGY-GOSISDBHSA-N 430.552 5.016 30 20 IKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)C4(F)CCCCC4)cc3)CCC2)c1 1789161844 NJXTXGYVVKGTMO-UHFFFAOYSA-N 437.490 5.117 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2)CCC1)C(F)(F)F 1791534085 RJRLNDHBNJACGP-UXHICEINSA-N 428.454 5.043 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](CC)c2ccccc2)[nH]n1 1819304447 BIWQWWBPNFLJKA-XJUOHMSHSA-N 434.584 5.364 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C(F)(F)F)c3C)CC2)C1 1823704666 OCBTUUVWUKIAOC-QFIPXVFZSA-N 448.529 5.213 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(F)c2)CC1 1824143954 XAQKMWFNWXMBDP-DEOSSOPVSA-N 426.576 5.136 30 20 IKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](c2ccccc2)C(C)C)CC1 1824242448 LUJTYIFZWFMVSP-XNMGPUDCSA-N 436.640 5.240 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)cccc2F)CC1 1828831129 ZWGQEPCZNQCOMZ-GMAHTHKFSA-N 426.576 5.136 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)c2ccc(O)cc2)CC1 1829068870 VBXBMDJWTCKOGV-HYBUGGRVSA-N 440.628 5.108 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(Cl)c2)CC1 1831447368 JYKJKHWCSWALDC-HXUWFJFHSA-N 438.946 5.093 30 20 IKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)cc2Cl)CC1)C(F)(F)F 1831454836 IWSFMUCNZJYECU-LJQANCHMSA-N 442.909 5.000 30 20 IKED O=C(/C(=C(\S)Nc1ccc(F)cc1)[n+]1cccc(O)c1)c1ccc(-c2ccccc2)cc1 10828293 HRMXYUBLHUJWRE-UHFFFAOYSA-O 443.523 5.537 30 20 IKED C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccccc2Sc2ccccc2C#N)C1 60017303 RBEYQUSKQZQKER-KNQAVFIVSA-N 427.573 5.275 30 20 IKED Cc1nc2cc(F)cc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)c2nc1C 108129858 DWYZYJINXBYILR-UHFFFAOYSA-N 426.451 5.089 30 20 IKED C[C@@H](Nc1snc(Cl)c1C#N)c1ccc(CNc2snc(Cl)c2C#N)cc1 302181269 RVWQGQSCEVZDRG-SECBINFHSA-N 435.365 5.435 30 20 IKED COc1ccc(CCN(Cc2ccsc2)C(=O)Nc2ccc(F)c(C#N)c2)cc1OC 429058694 IKCXASXQTQVDDH-UHFFFAOYSA-N 439.512 5.053 30 20 IKED N#CCCC[C@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1ccccc1 431465391 NXLPQMUWDIIMJN-UWJYYQICSA-N 431.367 5.306 30 20 IKED N#Cc1cc(NC(=O)N2CCC(c3ncc4n3CCCC4)CC2)ccc1Oc1ccccc1 433848552 KQYSOMIJBRDYPN-UHFFFAOYSA-N 441.535 5.295 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(O)c(Cl)c3)s2)c(C(F)(F)F)c1 436731321 KEJSFYWNXVQCNM-UHFFFAOYSA-N 437.830 5.236 30 20 IKED CN(Cc1ccccc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C1CCCCC1 437577622 FCBLWFPOEQMHNA-AZGAKELHSA-N 430.596 5.755 30 20 IKED Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 437820036 ITMVYZWTBDCYTG-ILBGXUMGSA-N 444.579 5.171 30 20 IKED CC(C)CCOC1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 438653796 FXMHLJCWUUMYAQ-UHFFFAOYSA-N 425.504 5.549 30 20 IKED N#CCC[C@@H](NC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 438862129 IWWQHZXSYXBCML-JOCHJYFZSA-N 445.394 5.302 30 20 IKED CSc1ccc(C)c(NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 439518882 FLAJOULWUUAMCU-UHFFFAOYSA-N 445.544 5.053 30 20 IKED CCCc1c(NC(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)cnn1-c1cccc(C#N)c1 439691812 NZBCGMGMNUYCBX-YLJYHZDGSA-N 431.515 5.245 30 20 IKED N#Cc1ccc(CN(C(=O)C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)C2CC2)cc1 442457675 QLOHXVMQIKJMPI-UHFFFAOYSA-N 445.906 5.134 30 20 IKED CSc1cccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 446338493 ASXUZCVBQPGIOC-FQEVSTJZSA-N 435.936 5.295 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3nc(-c4ccc(OC(F)F)cc4)cs3)on2)c1 447457300 DDJGZUPUUQOKSO-UHFFFAOYSA-N 438.415 5.190 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 460926710 LMVMEKXOKLJXOZ-ZUQCGGBESA-N 445.592 5.004 30 20 IKED C[C@H](Oc1ccc2ccccc2c1)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1cccs1 461316883 VOTKLPFPBHBXGV-ROUUACIJSA-N 431.565 5.419 30 20 IKED Cc1ccc(NC(=O)[C@H](C)c2cccc(C#N)c2)cc1Oc1ncccc1Br 462316601 OZCNKZQLHSYAQD-OAHLLOKOSA-N 436.309 5.559 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)c3c(C)noc3n2)cc1 464422096 PEBBTAYUJOPHHU-KRWDZBQOSA-N 436.393 5.411 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3cc(-c4cccc(C#N)c4)no3)s2)cc1 469183419 ZYTIYAXQMKUVNZ-CQSZACIVSA-N 444.516 5.145 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)CSc3ccc4ccccc4c3)ccc21 469956167 LSURPZIVHKTZSB-UHFFFAOYSA-N 429.545 5.154 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCC[C@H]3CCC3CCCCC3)ccc21 470563143 AGXAPBDDUASMEV-QHCPKHFHSA-N 436.600 5.626 30 20 IKED CCN(C(=O)c1ccc2c(c1)nc(C)n2Cc1ccsc1)c1ccc(C#N)c(Cl)c1 472570754 WTVYLIFEQQGVTH-UHFFFAOYSA-N 434.952 5.646 30 20 IKED CCOc1ccc(-n2c(SCc3ccc(C#N)c(F)c3)nnc2-c2ccncc2)cc1 478523499 RBNYXHQKJRIVJA-UHFFFAOYSA-N 431.496 5.031 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccccc1C(=O)c1ccccc1 479479041 HVQVYKQARLECLS-KRWDZBQOSA-N 436.558 5.113 30 20 IKED Cc1oncc1C(=O)Nc1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1 479843320 SVNXOAPSJUUYTK-UHFFFAOYSA-N 438.443 5.152 30 20 IKED COc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccccc1-c1ccccc1 479941903 RGLYOGNOOILNHS-UHFFFAOYSA-N 437.293 5.014 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(-n4cccn4)cc3C(F)(F)F)c2)cc1 482702858 DCXVLXJYLAKNFT-UHFFFAOYSA-N 448.404 5.807 30 20 IKED N#C[C@@H](C(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)c1cnc2ccccc2n1 483221228 RAPGMGKTKLXTTF-OAQYLSRUSA-N 429.483 5.032 30 20 IKED C=CCC[C@@H](NC(=O)Cc1c(C)nn(CC(F)(F)F)c1C)c1ccc(C(F)(F)F)cc1 486448717 VVEPIHUKIZJAJR-GOSISDBHSA-N 447.423 5.447 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1ccc(C)cc1 489637665 UXDDWXYZFNCULO-OAHLLOKOSA-N 448.508 5.251 30 20 IKED Cc1cccc(OC(F)F)c1NC(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 492082150 QRVLGXNUUKLCQH-CQSZACIVSA-N 440.315 5.623 30 20 IKED C=CCN(CCc1ccco1)C(=O)Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1 492237240 QUHWYLUAIDCDQP-UHFFFAOYSA-N 425.529 5.070 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1 494078946 MMMYTCXZBIANAZ-FHZYATBESA-N 431.565 5.328 30 20 IKED CCNC(=O)c1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 499536106 HSIDFOLBQYLFEH-QFIPXVFZSA-N 446.938 5.067 30 20 IKED CN(CC1CCN(c2ccncc2)CC1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 500125845 VURJBKLOKHXENT-UHFFFAOYSA-N 442.588 5.093 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N(Cc3ccc(F)cc3F)C3CC3)c2)c1 503288319 YMISPVXLHMNRDI-UHFFFAOYSA-N 446.457 5.285 30 20 IKED CCOc1cn(-c2ccccc2)nc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 503584416 FPDXJXXPVLVVRZ-LJQANCHMSA-N 428.517 5.193 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2[C@H](C)CCC[C@H]2C)c1 504401787 RCRWOSHNZUGKEM-QZTJIDSGSA-N 447.000 5.124 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)N[C@H](c3cccc(Cl)c3)c3ccccn3)CC2)cc1 504835119 JQROEMNTQBCINE-XMMPIXPASA-N 428.923 5.195 30 20 IKED N#C[C@H](NC(=O)c1cccc(Oc2ccncc2)c1)c1ccc(OCc2ccccc2)cc1 505342890 IOLOIZNQMXWDGD-SANMLTNESA-N 435.483 5.448 30 20 IKED CCCn1nccc1C1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 505349491 JKWIYTWIQXUJDL-UHFFFAOYSA-N 447.514 5.508 30 20 IKED COCCC[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccc(Cl)cc1 508534691 YWJFSTYGVOPWQV-NRFANRHFSA-N 425.960 5.096 30 20 IKED CSCc1nc2ccccc2n1CC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 509686283 YTMPQBURLXFDBZ-UHFFFAOYSA-N 428.517 5.202 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N[C@@H](C[C@@H]3CCOC3)c3ccccc3)c2)cc1 510053064 CVEJHCMJZAABKW-NVQXNPDNSA-N 426.516 5.035 30 20 IKED CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 511421048 JGXQHBVLKLFALD-SFHVURJKSA-N 442.519 5.173 30 20 IKED CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 511611862 SFQSQDZUWNILFY-WMZOPIPTSA-N 439.943 5.227 30 20 IKED COc1cc2nc(C)sc2cc1NC(=O)c1cccc(COc2ccccc2C#N)c1 513220978 AIXOHYRJQUNVTA-UHFFFAOYSA-N 429.501 5.316 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)c1 513476455 NWNKPBVJNOQDDP-UHFFFAOYSA-N 445.906 5.170 30 20 IKED COc1cc(C)c(Br)cc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 513659556 CAAYWQVBAWHFSS-LBPRGKRZSA-N 434.240 5.001 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nc(C(C)(C)C)cs1 517365313 SKFUSPQGYJCIQT-MRXNPFEDSA-N 435.618 6.096 30 20 IKED Cc1ccc(-c2nc(CCNC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)co2)cc1 519199204 SCRLJBXFHRBZPK-UHFFFAOYSA-N 438.487 5.678 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)s2)cc1 521015231 SEWINWOFLUJMMJ-QGZVFWFLSA-N 432.332 5.429 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccc(NC(=O)C2CC2)cc1 521954381 LGFCPLDIUGGCMK-GOSISDBHSA-N 439.515 5.384 30 20 IKED O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 522701495 KNPRJLXFAUCGAV-UHFFFAOYSA-N 437.315 5.362 30 20 IKED N#CC1(C(=O)Nc2ccc(Oc3ccccc3Br)c(Cl)c2)CCOCC1 524244572 HOLOJXWQQQZQFK-UHFFFAOYSA-N 435.705 5.154 30 20 IKED Cn1c(-c2ccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cc2)nc2ccccc21 524387001 CWNSKTLPIWKISK-UHFFFAOYSA-N 448.482 5.536 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(F)c1I 533069683 CSESOUITYMQVPE-NSHDSACASA-N 440.281 5.077 30 20 IKED CN1CC[C@H](CNC(=O)c2ccccc2-c2ccccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 534224295 IHOCKOITZLTOSI-CLOONOSVSA-N 447.941 5.441 30 20 IKED CN(CC(=O)Nc1ccccc1SCC#N)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 537367007 BKRDODGBCSBPDH-UYAOXDASSA-N 447.526 5.528 30 20 IKED Cc1cc(NC(=O)N(C)[C@@H](C)c2cccc(-c3ccc(OC(C)C)cc3)c2)nn1CCC#N 537514266 CJXNJVZQNMWZRZ-FQEVSTJZSA-N 445.567 5.784 30 20 IKED COc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1OCC(=O)Nc1ccccc1Cl 539497900 KAVGPZURIQZPIL-QGZVFWFLSA-N 449.938 5.089 30 20 IKED CN(Cc1cc(Br)cs1)C(=O)CSc1ccc(C#N)c(C(F)(F)F)c1 543860265 LZCUPRMVZGRVPT-UHFFFAOYSA-N 449.317 5.152 30 20 IKED O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 549237912 AXYUUDHUSUGJNG-OCCSQVGLSA-N 430.339 5.332 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC(C)(C#N)CC1 549601776 XXNJSZJBGJHPGM-UHFFFAOYSA-N 427.552 5.230 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(OC(C)(C)C)CC1 549679255 WDMYASGOSWKQIO-KRWDZBQOSA-N 432.996 5.432 30 20 IKED Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 558785661 VVCNFBUJXIQMDF-UXHICEINSA-N 444.922 5.198 30 20 IKED CCOc1ccc(C2=CCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)CC2)cc1 562105036 HBDIKRZPNXFFMK-UHFFFAOYSA-N 440.503 5.465 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCc2cc(OCCC)ccc2C1 564376943 KBHZPHQKUNMKEG-DQEYMECFSA-N 444.579 5.061 30 20 IKED COC(=O)[C@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(Cl)c(Cl)c1 566947587 SEBFFKQMBLQHEN-HXUWFJFHSA-N 428.275 5.379 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(-c2ccncc2)cc1 567549868 KDVSZBKNOMISRW-SFHVURJKSA-N 435.487 5.690 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N[C@](C)(C#N)C1CCCCC1 568550305 FWTUWLVCAGDTLB-JOCHJYFZSA-N 447.963 5.694 30 20 IKED Cc1ccc(Oc2ncccc2-c2noc(-c3cc(C#N)oc3C)n2)c(Br)c1 569621596 UJXLNAJHGHIPBG-UHFFFAOYSA-N 437.253 5.435 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1 574796526 FHVYGURGKQLREY-UHFFFAOYSA-N 425.366 5.082 30 20 IKED N#Cc1cc(Oc2ccc(NCc3cn(-c4ccccc4)nc3-c3cccnc3)cc2)ccn1 576745668 UPMCMEZWSIQVMU-UHFFFAOYSA-N 444.498 5.605 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)CSCc1coc(-c2ccccc2)n1 578933107 IGBBMWPTWDSRQC-UHFFFAOYSA-N 439.540 5.680 30 20 IKED Fc1cccc(F)c1C(F)(F)c1nc(-c2ncoc2-c2cccc(C(F)(F)F)c2)no1 579645729 YJPONJBSGORXHN-UHFFFAOYSA-N 443.278 5.829 30 20 IKED CC(C)c1ccc(-c2noc(CCC(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)n2)cc1 591587854 RHVJQQUJZIANON-UHFFFAOYSA-N 443.532 5.426 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)sc2nc(C(F)(F)F)ccc12 592973340 DEYFOCHYHLJVRR-NSHDSACASA-N 435.427 5.862 30 20 IKED Cc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1NC(=O)c1ccccc1F 603637232 OOCLFRCDNLXRRX-UHFFFAOYSA-N 433.508 5.451 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603765684 ZEHWVBAXTWCNIQ-UHFFFAOYSA-N 448.841 5.754 30 20 IKED Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 604232263 UEDRUDDSBOPLOQ-MRXNPFEDSA-N 449.624 5.159 30 20 IKED COc1cc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)ccc1SC 604502750 LWCOLRZDTFCGAJ-UHFFFAOYSA-N 434.521 5.140 30 20 IKED N#CCn1c(C(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cc2ccccc21 609187641 RMFHVRMQCLWBQG-GOSISDBHSA-N 430.508 5.235 30 20 IKED C[C@H](C#N)CSc1ccccc1NCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 609384776 VXGWKKVBFJIDKM-GFCCVEGCSA-N 427.879 5.661 30 20 IKED CCOc1c(Cl)cc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1OC 609399276 LKMJWLNRSVZETB-AWEZNQCLSA-N 433.961 5.321 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc(-c4cn5cccnc5n4)c3)cc2)cc1 609501533 WSDNHRZTKWUGIB-UHFFFAOYSA-N 445.482 5.507 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc(Cl)ccc2Br)c1C 610054101 QDXPSUIDVYULAU-UHFFFAOYSA-N 429.705 5.029 30 20 IKED C[C@H](CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1ccncc1 610722680 XPEPSKQEPXCRBK-CYBMUJFWSA-N 430.455 5.152 30 20 IKED N#C[C@H](C(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1nc(-c2ccc(Cl)cc2)cs1 642281741 HQUFFBYRNDNSHZ-VQTJNVASSA-N 438.936 5.511 30 20 IKED O=C(Nc1ccc2nc(C(F)F)sc2c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 672818630 FSNOSCATJAOLGH-OCAPTIKFSA-N 447.351 5.829 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674461259 NJUGHKKPEAKJFG-RKDXNWHRSA-N 444.734 5.255 30 20 IKED Cc1cc([C@H](NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c2cccnc2)ccc1F 680336610 LCHPPGMKDGCSJO-BXWFABGCSA-N 434.399 6.118 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2ccc(OC(F)F)cc2)nnc1-c1ccc(OC)cc1 685007210 SPMLYLHGHKEPCK-CQSZACIVSA-N 445.491 5.105 30 20 IKED COc1ccc(/C=C2\SC(=S)N([C@@H](C)c3cccs3)C2=O)cc1OCCCC#N 726630084 SOCANYXRTISABV-QIQQCEGHSA-N 444.603 5.402 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H](c3ccccc3)CC2)cc1 727624135 QTLPMBYTBHRNHP-GJZUVCINSA-N 437.543 5.077 30 20 IKED CN(Cc1ccccc1)c1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 729561464 QECBTUAHVAUIKD-UHFFFAOYSA-N 440.547 5.270 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(F)c(Cl)cc1Cl 731069931 NIAOJJFIRKOLFR-LLVKDONJSA-N 441.311 5.322 30 20 IKED C=CCOc1ccccc1CN(C(=O)/C=C\c1cnc(C)s1)c1ccc2c(c1)OCCO2 732729492 NLFLOTJLVQJDTN-LUAWRHEFSA-N 448.544 5.034 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)c1 733772022 WWRQJDWMTNSNAL-GOSISDBHSA-N 425.941 5.383 30 20 IKED CC(=O)N(c1nc(/C=C(/C(=O)c2nc3ccccc3s2)c2ccccc2)cs1)C1CC1 734305998 JDMWPYOMFKRKGV-CPNJWEJPSA-N 445.569 5.692 30 20 IKED O=C(/C=C\c1csc(-c2cccs2)n1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741840834 AAOGYFLTKNAUAM-YVMONPNESA-N 443.493 5.104 30 20 IKED C[C@@H](CC(=O)c1cccc(F)c1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 744034304 GITNYWZTAFKXFR-SCLBCKFNSA-N 426.900 5.688 30 20 IKED C=CCN(CCc1ccccc1)C(=O)c1cc(Cl)c(NC(=O)OC(C)(C)C)cc1OC 744360710 SPCUSJBSINUKLY-UHFFFAOYSA-N 444.959 5.567 30 20 IKED C[C@H](Oc1cccc(C(=O)/C=C\c2csc(COc3ccc(Cl)cc3)n2)c1)C(=O)O 745021480 PLVUEERKQABZCC-YHAOYDPOSA-N 443.908 5.124 30 20 IKED CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)NCc1cc(C#N)ccc1F 745893682 FSDWSTPPQRLPOM-UHFFFAOYSA-N 425.504 5.685 30 20 IKED N#C[C@@H]1C(CN2CCC(c3cccc4ccccc34)CC2)=CC(=O)n2c1nc1ccccc12 746866842 RECVNQPXWFYYRQ-XMMPIXPASA-N 432.527 5.256 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc([N+](=O)[O-])cc1F 755611869 UCILYARAUMKGEO-ZANVPECISA-N 437.374 5.342 30 20 IKED COc1ccc(C[C@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 759204783 DQGFTSPOOBWSTR-AVRDEDQJSA-N 428.488 5.014 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)Nc3ccc(OC4CCCC4)c(Cl)c3)CCO2)c1 761842236 LNPULJXRIDOCRP-JOCHJYFZSA-N 425.916 5.138 30 20 IKED Cc1ccc(SCC(F)(F)F)c(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c1 761868644 YKSIJRNAOJBNFA-SFHVURJKSA-N 435.471 5.127 30 20 IKED C=CCn1c(-c2ccc(C)cc2)nn(CN2CCC(c3ncc(C)s3)CC2)c1=S 762168024 GDSFJVOYHCGQFJ-UHFFFAOYSA-N 425.627 5.178 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H]2CCC(F)(F)C2)cc1 763211942 IXOFWJSHTZBEGP-MOPGFXCFSA-N 443.519 5.143 30 20 IKED CN(C)C(=O)c1cc(F)ccc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 767141733 QHKZCDIFDSLFIO-UHFFFAOYSA-N 437.858 5.097 30 20 IKED CN(C(=O)c1ccco1)c1ccccc1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 779094916 GFNZYTMKUXPPTP-UHFFFAOYSA-N 437.455 5.472 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)ccc1OC 779102657 WEFZMNLYJMYQTH-DHLKQENFSA-N 438.930 6.048 30 20 IKED Cc1cc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)c(C)n1-c1ccc(C#N)cc1 779280938 IGWBUQYVHDQYFQ-IBGZPJMESA-N 449.938 5.287 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 780147467 HIPWRJYWPXGFRG-VGSWGCGISA-N 447.922 5.131 30 20 IKED CCCN(C(=O)Nc1ccccc1O[C@H](C)C#N)[C@H](C)c1ccccc1Br 780678389 MZFPLUOZPQLIAT-HZPDHXFCSA-N 430.346 5.745 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1cc(C(=O)O)cs1)C(=O)c1ccccc1 782200366 LQNHNIMMBBRPHQ-STZFKDTASA-N 433.529 5.476 30 20 IKED C[C@@H](C=Nn1c(S)nnc1CSc1ccccc1)c1cccc(Br)c1 782245033 GUCHGZUSWXBFCP-ZDUSSCGKSA-N 433.400 5.259 30 20 IKED CC(=O)c1ccc(OCCCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 783358238 NUIUQHNJQYMYSB-KRWDZBQOSA-N 446.450 5.553 30 20 IKED C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccccc1SCCC#N)c1ccc(N)cc1 783482818 LABHGGJLMYHVLY-SFHVURJKSA-N 444.560 5.007 30 20 IKED C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(F)cc1OCC#N 783590116 SQCSRNONZJTURH-LLVKDONJSA-N 429.801 5.229 30 20 IKED C#CCOc1ccc(NC(=O)C(=O)Nc2ccc([C@H](C)Sc3ccccc3)cc2)cc1 784612424 QLYDWUGLVGBCEC-SFHVURJKSA-N 430.529 5.129 30 20 IKED Cc1oc(-c2cccs2)nc1C(=O)[C@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 787047861 DJKJYEHUQVOKNU-YGRLFVJLSA-N 448.331 5.218 30 20 IKED O=C(/C=C\c1cc(Br)c(Cl)s1)c1ccc(S(=O)(=O)C(F)F)cc1 790220516 XPNUSFJFLSWOFY-UTCJRWHESA-N 441.702 5.056 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C(F)F)nn(C)c3s2)cc1 796628394 BZEXPJCSDIXZCP-NHYWBVRUSA-N 430.480 5.047 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3[nH]ccc3-c3c(Cl)cccc3Cl)o2)cc1 799593631 ZGKJIBJMPVALFT-UHFFFAOYSA-N 439.258 5.267 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)CC1 800112524 VARVZFRHIDZHJO-UHFFFAOYSA-N 436.490 5.133 30 20 IKED Cc1nn(C)c(Br)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 800857155 HJBYVGYPFOGERM-UHFFFAOYSA-N 445.704 5.061 30 20 IKED C[C@H](OC(=O)C1CCN(CC(F)F)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 805881785 IXDWRGQAYORQPH-JTQLQIEISA-N 433.339 5.306 30 20 IKED Cc1oc(NC(=O)COC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)c(C#N)c1C 822004061 TXQDVZXUNRKHDN-UHFFFAOYSA-N 445.479 5.045 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CC[C@H](Oc4ccc(C5CC5)cn4)C3)cc2)cc1 858074018 CAQPNPPYHKKKEB-VWLOTQADSA-N 439.515 5.111 30 20 IKED C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915352560 MFMQRJYTEFFAMC-CLOONOSVSA-N 436.519 5.148 30 20 IKED COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(SC)cc3)cc2OC)o1 916133456 PZVALXCIPMGYPY-NYYWCZLTSA-N 438.501 5.272 30 20 IKED C[C@H](Cc1ccccc1Cl)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 916721061 UVKZYZHIIDQIMH-GOSISDBHSA-N 433.939 5.738 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(CSc2ccccc2)cc1 916906809 JWYRMFFYNYTOCD-DEOSSOPVSA-N 442.584 6.065 30 20 IKED Cc1ccc(C(C)C)c(O[C@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 916931135 JIUKHUALFRTRPX-PBHICJAKSA-N 433.335 5.540 30 20 IKED CC(=O)N[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1)c1ccc(Cl)cc1 916974226 HHYOEQAGYQAGKV-UXHICEINSA-N 437.952 5.216 30 20 IKED N#C[C@@H](C(=O)CCCOc1cccc(Br)c1)c1nc(-c2ccccc2)cs1 917025840 QNVDFNPZCPSDAO-SFHVURJKSA-N 441.350 5.608 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccccc2C(F)(F)F)cs1 917561341 BSWCMODODLVISE-DHZHZOJOSA-N 434.414 5.882 30 20 IKED CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 918156985 YRKGRXSCSONIIS-NTUHNPAUSA-N 436.512 5.011 30 20 IKED N#CC1(C(=O)Oc2ccc(NC(=O)c3ccccc3Br)cc2)CCCCC1 920022792 WTGSPIZQJVYVKN-UHFFFAOYSA-N 427.298 5.081 30 20 IKED CCOc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 920140942 LAKVMJXVFNJBBH-OAQYLSRUSA-N 431.517 5.116 30 20 IKED Cc1ccc([C@@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(Cl)cc2)s1 920171893 XGHXZNUDCFAALY-ACJLOTCBSA-N 448.013 5.071 30 20 IKED COc1cc(/C=C\C(=O)Nc2ccc(C#N)c(Cl)c2)ccc1OCc1c(C)noc1C 929084600 DZXJZQILOSVMLF-UITAMQMPSA-N 437.883 5.056 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)C[C@H](C)Oc3ccccc3)CCC2)cc1 1791730638 ONWCEZXSOVYZEE-NRFANRHFSA-N 432.564 5.172 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2cccc(C)c2)[C@H]1c1cccnc1 1804030641 HHDHWZMIEDANAJ-AOYPEHQESA-N 447.623 5.021 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3sccc3s2)n[nH]1 1819029043 GRKBGIVRQCSAAB-HIFRSBDPSA-N 428.583 5.204 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(C)CCCCC3)[nH]n2)c1 1823216235 DWQWZZCRSIQCOO-PGRDOPGGSA-N 447.583 5.313 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 1831789596 XUOOYCVKXZFHQI-ZJSPYRCASA-N 434.624 5.178 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1-c1ccco1 9953454 HGNXBFZLTWVEIX-UHFFFAOYSA-N 442.850 5.127 30 20 IKED C[C@H](Sc1nnc(-c2cccs2)n1Cc1ccccc1)C(=O)Nc1ccccc1C#N 10345550 XTWSYFKWNREVEO-INIZCTEOSA-N 445.573 5.046 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1-c1ccc(OC)cc1 17710131 QKOGPBXQRJCVGS-MRXNPFEDSA-N 433.537 5.351 30 20 IKED Cc1ccc(-n2c(SCC(=O)Nc3ccc(CC#N)cc3)nnc2-c2ccccc2)cc1 20067611 ZLPOUWLNWKSWOT-UHFFFAOYSA-N 439.544 5.040 30 20 IKED C[C@@H](Sc1ncnc2sc(-c3ccccc3)cc12)C(=O)N(CCC#N)c1ccccc1 21682316 DKFCHYNJKBRULJ-QGZVFWFLSA-N 444.585 5.786 30 20 IKED C=CCOc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccccc3)s2)cc1OC 22608379 IWFNBWZZNGDUNL-VBKFSLOCSA-N 427.913 5.101 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1-c1ccccc1 32789252 BKNXIFFTLZNNDB-UHFFFAOYSA-N 440.572 5.453 30 20 IKED C=CCn1c(S[C@H](C)C(=O)NCCC2=CCCCC2)nnc1-c1ccc(Cl)cc1 33474858 AKZQHAWGPGHRJR-MRXNPFEDSA-N 431.005 5.272 30 20 IKED C=CCn1c(SCC(=O)c2cccc(C(F)(F)F)c2)nnc1-c1ccccc1OC 36627969 RKXCUGUDWKZLJT-UHFFFAOYSA-N 433.455 5.134 30 20 IKED N#CCCCOc1cccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)c1 59770851 YDIZIVYDJOLCJI-UHFFFAOYSA-N 442.544 5.595 30 20 IKED Cc1ccc(C#N)cc1NC(=O)c1cccnc1SCc1cccc(Br)c1 63962126 DVJIQCOAAXHWFC-UHFFFAOYSA-N 438.350 5.569 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(N(C)C)cc2)ccc1OCC(=O)Nc1ccccc1 96765845 XDDFFJMOICQQRS-YBEGLDIGSA-N 444.531 5.065 30 20 IKED C=CCN(Cc1csc(CC(=O)Nc2ccccc2C)n1)Cc1ccc(Cl)s1 98081235 JMZRHYZLZVRMNH-UHFFFAOYSA-N 432.014 5.536 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)s2)cc1 105400914 KMANJVOOWNPOCK-JKSUJKDBSA-N 426.954 5.098 30 20 IKED N#C[C@H](C(=O)c1ccc(C2SCCCS2)cc1)c1nc2cc(Cl)ccc2s1 195664168 PQBBIEQXHYJGJY-OAHLLOKOSA-N 431.007 6.308 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 303403678 PKOYOLAWDXHPHQ-UHFFFAOYSA-N 436.339 5.069 30 20 IKED Cc1nc(NC(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)sc1SCC#N 409820573 PYUJCSQFSZDVDD-KRWDZBQOSA-N 447.944 5.619 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cncc(-c4cccc(C)c4)c3)n2)cc1 426195934 JFHDAVSKLJTLLA-QFIPXVFZSA-N 425.513 5.679 30 20 IKED C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)Nc1ccccc1S[C@H](C)CC#N 426269857 YBDKODLEHFVURC-CABCVRRESA-N 442.009 6.402 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(NCCc3ccccc3)cc2)c1-c1ccccc1 430547156 UCGBNTQJJJJSKY-UHFFFAOYSA-N 435.531 5.371 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c2ccc(Br)cc2n1 430604345 PUTTWROXUYNMNX-OAHLLOKOSA-N 428.355 5.550 30 20 IKED Cc1c(C#N)cccc1NC(=O)N1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 432254268 NVJBANSNDANDMV-UHFFFAOYSA-N 443.482 5.240 30 20 IKED Cc1ccc(-c2ccc(C)c(NC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)c2)o1 432983859 IBUTXEBTPNBUJL-UHFFFAOYSA-N 428.536 5.175 30 20 IKED N#CCCn1cc(CN2CCc3sccc3[C@@H]2c2cccs2)c(-c2ccncc2)n1 435138399 RIXPGZDOHBWNGI-HSZRJFAPSA-N 431.590 5.129 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(C(=O)c2cccc(O)c2)cc1 436108202 SRAGAFDWDWWAKN-UHFFFAOYSA-N 449.466 5.243 30 20 IKED Cc1ccc(CC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1Br 437598616 GTTPZRHVSLRZPN-UHFFFAOYSA-N 436.309 5.306 30 20 IKED CCCc1c(NC(=O)Nc2cccc(OCCCC#N)c2)cnn1-c1cccc(C#N)c1 439239409 QUTJSDDRGVOSAU-UHFFFAOYSA-N 428.496 5.023 30 20 IKED COCCc1nc2cc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)ccc2o1 440000042 YLAGHPZGZYYBCN-UHFFFAOYSA-N 443.528 5.433 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cccc(CS(C)(=O)=O)c1)c1ccc(C(F)(F)F)cc1 442197542 WRFVUVHHXIGPDC-LJQANCHMSA-N 440.487 5.079 30 20 IKED COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CCc1ccc(C#N)cc1)CCO2 460254181 JYOKBYZSPARUHW-VWLOTQADSA-N 426.516 5.052 30 20 IKED N#Cc1cc(NC(=O)c2ccnc(-n3cccn3)c2)ccc1Oc1ccc(C(F)(F)F)cc1 464302192 XVUCNFHECWEZHA-UHFFFAOYSA-N 449.392 5.202 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccccc2OCCn2ccnc2)cc1 464933113 FLOMRCATRPZMQT-UHFFFAOYSA-N 438.487 5.187 30 20 IKED Cc1nc(-c2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)cc2)n[nH]1 465405861 OBCLFEIDBOIXTD-UHFFFAOYSA-N 429.867 5.350 30 20 IKED COc1ccc(C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)cc1 467618271 IEFYMVVLTOHSSJ-UHFFFAOYSA-N 441.531 6.079 30 20 IKED CC[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Br)cc1 469138874 XQCVLNDDAFHJDX-FQEVSTJZSA-N 426.358 5.595 30 20 IKED CCCc1cccc(C(C)C)c1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 471873599 TZUZRNLJXGUMIR-UHFFFAOYSA-N 432.568 5.517 30 20 IKED C=CCn1c(SCC(=O)Nc2cc(C)ccc2Cl)nnc1-c1ccc(Cl)cc1 475367799 HVEVDZHJVJBWBE-UHFFFAOYSA-N 433.364 5.477 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2F)c1 477830754 VKVMNTOCSSDSFH-UHFFFAOYSA-N 429.373 5.939 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ncoc3-c3ccccc3)cc2F)c1 478662569 QGJHWEDGHXCKDP-UHFFFAOYSA-N 442.450 5.253 30 20 IKED C=C(C)[C@H](NCc1csc(N(C(C)=O)c2ccc(F)cc2)n1)c1ccc(F)c(F)c1 479407706 GHYRUAFHSAHRAQ-NRFANRHFSA-N 431.483 5.652 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCCCC[C@@H]3c3ccncc3)cc2F)c1 481687178 PHILAKIGMJJLRN-XMMPIXPASA-N 444.510 5.821 30 20 IKED N#Cc1cc2c(nc1NC(=O)c1csc(-c3cc(Br)cs3)n1)CCCC2 484169295 ZBDOWVYMYKHOOM-UHFFFAOYSA-N 445.367 5.032 30 20 IKED CCOc1ccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1 485149136 LMYFGDVIIPTZME-UHFFFAOYSA-N 431.329 5.063 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Nc3ccn(CC(F)(F)F)n3)cc2Cl)cc1 486262148 UZOVRARPDQSFLT-UHFFFAOYSA-N 435.793 5.407 30 20 IKED C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1ccc(NC(=O)c2ccncc2)cc1 486800958 ZWFUMJIGDSCADG-LJQANCHMSA-N 446.510 5.364 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(F)cc3C(F)(F)F)cc2F)c1 487610035 XSZOENLBHUQFGT-UHFFFAOYSA-N 432.348 5.687 30 20 IKED C=CCC[C@H](C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1ccccc1 488868752 KCVSRPPFIUFKFM-DEOSSOPVSA-N 425.594 5.623 30 20 IKED C=C(C)Cn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)CCC)cc2)nnc1-c1ccncc1 489442979 BWEJITTXIDZUKH-KRWDZBQOSA-N 449.580 5.018 30 20 IKED CCNC(=O)Nc1ccc(C)c(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 490300895 ONVHHNNDABZXKZ-SFHVURJKSA-N 441.535 5.558 30 20 IKED CN(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)[C@H](c1ccccc1)c1ncc[nH]1 492854919 WMANBIHFIFDWAP-HSZRJFAPSA-N 442.906 5.589 30 20 IKED COc1ccc2ccccc2c1-c1cc(CNC2CCC(C#N)(c3ccccc3)CC2)on1 495419616 CALVROFSBIEIHF-UHFFFAOYSA-N 437.543 5.997 30 20 IKED Cc1nc(SCC(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)c(C#N)c(C)c1C 498436221 OJENXTNAEIXQET-UHFFFAOYSA-N 444.560 5.170 30 20 IKED C=CCn1c(SCC(=O)N(CCC)CC(F)F)nnc1-c1ccc(Cl)cc1Cl 498443175 UTEFKGCAYUURHF-UHFFFAOYSA-N 449.354 5.034 30 20 IKED CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1 500022336 AGAWZJRPWFHKDZ-LJQANCHMSA-N 441.531 5.052 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc(C)cs2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 502690104 QPZZCCWDLSCOCS-CQSZACIVSA-N 443.868 5.304 30 20 IKED CCOc1ccc(Br)cc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 503460160 JEFGYRVRVFQPSJ-UHFFFAOYSA-N 426.314 5.041 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)S(=O)(=O)c1ccc(C#N)cc1Cl 503823248 UPTMIGISBWXBPO-AWEZNQCLSA-N 431.970 5.025 30 20 IKED CC[C@@H](C)n1c(SCC(=O)N(CC)[C@@H](C)c2ccc(C#N)cc2)nnc1-c1ccccc1 504067490 ASLRAYALVOTZJY-MOPGFXCFSA-N 447.608 5.490 30 20 IKED COc1cc(C(=O)Nc2nc(C)c(SCC#N)s2)cc(Cl)c1OCC(C)C 504784424 BXTQNNINLNDXFY-UHFFFAOYSA-N 425.963 5.016 30 20 IKED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 506514413 UUPDUEKYRWSJSS-UHFFFAOYSA-N 439.559 5.429 30 20 IKED CCCCC1CCC(C(=O)Nc2ccc(CNC(=O)N3CCC(C)(C#N)CC3)cc2)CC1 508470014 WPAQLXVDSQHZQN-UHFFFAOYSA-N 438.616 5.457 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)c1 509078077 CKQVTSBUPLHNTK-UHFFFAOYSA-N 428.673 5.414 30 20 IKED Cc1c(Br)cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1[N+](=O)[O-] 510477537 JWAMKTLFIFSXBM-LLVKDONJSA-N 434.315 5.170 30 20 IKED CCCN(CC)C(=O)c1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 511702507 XBVAVEHCACEASY-KRWDZBQOSA-N 425.941 5.312 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)CCCC(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 513779314 BZGZBUZFRPVXGH-UHFFFAOYSA-N 445.346 5.288 30 20 IKED CC(C)CN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C)c1ccc(C#N)cc1 514535609 YIVVHFLXFCKYSE-UHFFFAOYSA-N 437.547 5.854 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC(c4c[nH]c5ccccc45)CC3)s2)cc1 515375041 QSJCWEMBJRSHDS-UHFFFAOYSA-N 441.560 5.498 30 20 IKED COc1cc(C#N)ccc1OCC(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 516125288 IYHHNYZZXIBLQP-UHFFFAOYSA-N 441.314 5.158 30 20 IKED COCCn1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2ccccc21 516710462 BELFMJLFYMFUCZ-SFHVURJKSA-N 435.936 5.555 30 20 IKED Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)CCCCOc1cccc(C#N)c1 518909210 RHWLWIQUBZDFJV-DEOSSOPVSA-N 428.536 5.177 30 20 IKED Cc1ccc([C@@H](CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)N(C)C)cc1 519258475 XYFLEGNAEFSWHE-AREMUKBSSA-N 442.563 5.065 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CCc1nc2ccccc2n1-c1ccccc1 520827559 MKGWEYOASLDHSZ-LJQANCHMSA-N 440.572 5.849 30 20 IKED C=CC1CCN(C(=O)Nc2ccc(Cl)c(C(=O)N(CC)Cc3ccccc3)c2)CC1 522090954 BLPVDTPHZZSAEN-UHFFFAOYSA-N 425.960 5.432 30 20 IKED CC[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(C)cc1 522501251 USQQMDVCKJWSNQ-ISKFKSNPSA-N 445.950 5.510 30 20 IKED Cn1c(CCNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)nc2ccc(F)cc21 522637085 GYNJZBBNUMSIHG-UHFFFAOYSA-N 448.885 5.002 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C 523027481 UPVZVFBDTMFZHK-CVDCTZTESA-N 443.522 5.995 30 20 IKED Cc1nc(C)c(-c2csc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)n2)s1 524490492 VVOTXQXBYJSWRA-UHFFFAOYSA-N 446.557 5.586 30 20 IKED C=CCN(C(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C)c1nc2c(s1)CCCC2 524538941 MSLCULXTAZBJTP-UHFFFAOYSA-N 448.514 5.804 30 20 IKED Cn1cc(-c2ncccc2NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cn1 527036750 KITYUPIIKJIMHJ-UHFFFAOYSA-N 429.867 5.052 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)N[C@H](C)c1ccc(C#N)cc1 532064995 YTHHACCLZWEKBB-KGLIPLIRSA-N 426.383 6.165 30 20 IKED CN1CC[C@@H](CNC(=O)c2ccccc2-c2ccccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 534224296 IHOCKOITZLTOSI-DFBJGRDBSA-N 447.941 5.441 30 20 IKED C=CCC[C@H](NC(=O)N[C@@H](C)c1ccc([S@](C)=O)cc1)c1ccc(C(F)(F)F)cc1 534441825 RXONOTHXPOTWCF-WYBMLIEISA-N 438.515 5.511 30 20 IKED CC[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H](c1ccc(C)cc1)n1cncn1 535217170 SYNXYDBBZBWHCJ-QMHWCDLVSA-N 448.596 5.171 30 20 IKED C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)Nc1ccccc1OC(F)F 541075826 QDIUMXLZSSQUIZ-SJORKVTESA-N 435.474 5.504 30 20 IKED CC(C)(C)Oc1c(F)cc(NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1F 541101501 PVDCRWVQJIYXJG-UHFFFAOYSA-N 434.327 5.491 30 20 IKED CCN(C(=O)c1ccc(C#N)c(Cl)c1)[C@H](c1cccnc1)c1csc2ccccc12 547955921 JAMFLGXPPFKZRB-HSZRJFAPSA-N 431.948 6.073 30 20 IKED C=CCC[C@H](NC(=O)N1[C@H]2C=C(c3ccnn3C)C[C@H]1CC2)c1ccc(C(F)(F)F)cc1 549169583 WQKJCEGKWHMQNO-NJYVYQBISA-N 444.501 5.476 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cc2c(cc1F)NC(=O)CC2 551698885 TXLTWUUFLIZLDZ-UHFFFAOYSA-N 448.338 5.020 30 20 IKED N#Cc1cc(N2C(=O)N[C@H](c3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1 562095281 QGBNUSRNVOVUCQ-HXUWFJFHSA-N 437.377 5.167 30 20 IKED Cc1sc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)nc1-c1cccc(Cl)c1 562376180 CIKHOWLXJISKBG-UHFFFAOYSA-N 447.951 5.801 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3c4ccccc4CC34CCOCC4)cc2)c1 581279400 AYGARMOBPHSKIK-RUZDIDTESA-N 439.515 5.566 30 20 IKED CN(C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)[C@H]1CC[C@@H](C(F)(F)F)CC1 582450081 DSTAVCBDAGTCNK-WDMOLILDSA-N 448.354 5.654 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccco2)nc2ccccc12)c1nc2ccccc2n1C(F)F 591862036 KGKHQYRGFXOKSF-INIZCTEOSA-N 428.398 5.730 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 592973943 LOFFVTGQVQWHCP-OAHLLOKOSA-N 441.484 5.409 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc(C)c1OC(F)F 594363179 NWTFIXWUNFNFCI-CYBMUJFWSA-N 434.414 5.797 30 20 IKED Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603765575 WOWIDVYIJHOQMZ-UHFFFAOYSA-N 426.501 5.354 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 609428290 KKTKHMNHWBREPZ-CYBMUJFWSA-N 442.591 5.032 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCC1(N[C@H](C)c2ccccc2)CCCC1 609469983 XZSFHEJPFGVITC-VQTJNVASSA-N 436.625 5.723 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)CC1 609509124 XQFAEYYBPAOONI-HNHZEOAVSA-N 426.516 5.185 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2OCCc3ccccc32)cc1Cl 609601359 KGNULSAUTJOKKX-ISKFKSNPSA-N 431.923 5.431 30 20 IKED Cc1nc(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)nc2ccccc12 609724402 XDCWZCBSPWWTCY-UHFFFAOYSA-N 428.879 5.186 30 20 IKED Cc1ccc(OCc2ccc(C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)o2)c(C)c1 610054200 AYCTUWVEYJOXSR-UHFFFAOYSA-N 440.503 5.402 30 20 IKED N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)ccc1OCC(F)(F)F 610153176 UYRCAHNIADZPJJ-HUUCEWRRSA-N 444.331 5.140 30 20 IKED CN1CCC[C@@H](CNC(=O)c2cccc(COc3ccccc3C#N)c2)[C@@H]1c1cccs1 610180715 NWMXHKYSKKTSQU-WIOPSUGQSA-N 445.588 5.012 30 20 IKED COc1cc([C@@H](C)NC(=O)N[C@@H](C)c2cccc(C#N)c2)ccc1OCc1ccccc1 610348123 KIVUAKDNIIYRND-RBUKOAKNSA-N 429.520 5.267 30 20 IKED O=C([C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618300782 FISTZQNBSFMLGZ-JULQROHOSA-N 433.314 5.398 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 618736052 RTWRQKRDEPCNOM-LJQANCHMSA-N 428.344 5.335 30 20 IKED CC(C)NC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 642281056 FFRBMBDFSFRLSR-SFHVURJKSA-N 438.940 5.483 30 20 IKED Fc1ccc([C@H](C[C@H]2CCOC2)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 644532192 YBKXCIBJOGXBBA-DNBIXMRYSA-N 427.404 5.793 30 20 IKED C=C(C)Cn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N1CCC(OCC)CC1 670227479 BWXIQYCILISEBR-UHFFFAOYSA-N 443.551 5.335 30 20 IKED O=C(c1cccc(COc2cccc(F)c2)c1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674445971 VZWBTBXYGYQSKF-IAGOWNOFSA-N 435.339 5.218 30 20 IKED CN(Cc1ccc(Cl)c(F)c1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 677825095 HQPLHLWOHFZKBY-QWRGUYRKSA-N 434.783 5.530 30 20 IKED O=C(Nc1ccc(-c2ccco2)cc1F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 683811782 ODTCTTKYSPGAON-ITGUQSILSA-N 438.343 6.117 30 20 IKED C=C(C)COc1cc(/C=C2/SC(=S)N([C@@H](C)c3cccs3)C2=O)ccc1OC 726631049 ZQJCXSFLBLACMM-YRIIZNAFSA-N 431.604 5.674 30 20 IKED C#Cc1cccc(N(C)C(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)c1 728483063 HUVLAEJTEYZUQW-UHFFFAOYSA-N 446.432 5.211 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C1CC1 728913757 HHVGVLHOZUELDJ-KBXCAEBGSA-N 443.494 5.717 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2C(F)(F)F)cc1 729655356 LNUWTEBDBUIBOK-UHFFFAOYSA-N 436.430 5.870 30 20 IKED N#C[C@@H](C(=O)Cc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1Oc1ccccc1 729890036 WOLWGEBYVTUQLX-SFHVURJKSA-N 438.405 5.388 30 20 IKED COc1ccc(/C=C/C(=O)c2ccc(Br)cc2Br)cc1[N+](=O)[O-] 730151922 UKOBKCORCUDTMO-QHHAFSJGSA-N 441.075 5.025 30 20 IKED Cc1csc([C@H](C#N)C(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)n1 730684964 DIXVVUCVGHSRSU-DNVCBOLYSA-N 445.313 5.350 30 20 IKED CCc1nc([C@@H]2NC(=O)N(Cc3ccccc3)C(c3ccc(F)cc3)=C2C(C)=O)cs1 731421204 QKYWEUAKDSLFSO-QFIPXVFZSA-N 435.524 5.111 30 20 IKED COc1ccccc1-c1ccc([C@H]2NC(=S)NC(c3ccc(F)cc3)=C2C(C)=O)cc1 741646313 ADYFNFGDSYXKGD-HSZRJFAPSA-N 432.520 5.020 30 20 IKED Cc1nn(C)c(C)c1C[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 744035803 QSITXFSJDJWIMA-PIGZYNQJSA-N 447.391 5.522 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)Cn1nc(-c2cccs2)c2ccccc2c1=O 746055984 NLNVSSUXVDMHSC-UHFFFAOYSA-N 428.561 5.112 30 20 IKED C[C@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1nc(-c2ccc(Cl)cc2)no1 746074970 AOPMZOYSQGZROL-AWEZNQCLSA-N 446.850 5.367 30 20 IKED Cc1ccccc1-c1noc([C@@H](C)OC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)n1 746077376 UAAFYGBHTBUPLS-MRXNPFEDSA-N 426.432 5.022 30 20 IKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1 747108171 DFDXSOICVINOMN-QGZVFWFLSA-N 438.842 5.241 30 20 IKED CCCOc1c(Cl)cc(C=NO[C@H](C)C(=O)Nc2ccc(F)cc2F)cc1OCC 749522288 CIRMZHFTYDRXFC-CYBMUJFWSA-N 440.874 5.183 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(NC(=O)NC(C)C)cc2)ccc1OCC(F)(F)F 750906190 QIGXFHJBQUMYEG-ONNFQVAWSA-N 436.430 5.062 30 20 IKED COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1c(F)cc(C#N)cc1F 755131371 YFILKRUJHSJQKR-UHFFFAOYSA-N 432.835 5.257 30 20 IKED COc1ccc(C(=O)CCCCC(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 760184236 QRXVFGPHSICCFP-IBGZPJMESA-N 447.318 5.093 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 760783471 CDARFGRMSNZLDI-UHFFFAOYSA-N 431.398 5.441 30 20 IKED CCOc1ccc(CCC2CCN(C(=O)Nc3ccc(F)cc3OCC#N)CC2)cc1 761668158 LNBYHTCPLLKDLL-UHFFFAOYSA-N 425.504 5.003 30 20 IKED Cc1nc([C@H](C)ON=Cc2ccc(N3CCOCC3)cc2)oc1-c1ccc(Cl)cc1 763172235 IHUZBCJYOQDHHW-KRWDZBQOSA-N 425.916 5.252 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN2CCC[C@@H]2c2nc3ccccc3s2)c1=S 764849222 SUDINTAHMBXPPR-GOSISDBHSA-N 434.594 5.066 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1cc(Cl)c(C(F)(F)F)c(Cl)c1 764938393 HZQRYKNHCJTYQE-UHFFFAOYSA-N 448.272 5.415 30 20 IKED N#C[C@@H](C(=O)Cc1ccc(OCCOc2ccccc2)cc1)c1nc2ccccc2s1 765909961 HOGXVKDNIYNKSQ-NRFANRHFSA-N 428.513 5.173 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(CCCF)C2=O)c1 767735084 JGPZCWQXWUABPH-FQEVSTJZSA-N 445.535 5.071 30 20 IKED N#C[C@@H](C(=O)C1(CCOCc2ccccc2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 770842121 PTDZUCWMMNGDAN-KRWDZBQOSA-N 444.478 5.878 30 20 IKED CC(C)(C=Nn1cnnc1SCc1ccc(Cl)cc1)[C@@H](C[N+](=O)[O-])c1ccccc1 771099180 XFQXRQMXFJQKBC-IBGZPJMESA-N 443.960 5.144 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3C[C@@H](O)c3ccc(F)cc3)cn2)cc1 773263013 OLGUNAQATRUQDY-FYYLOGMGSA-N 446.482 5.005 30 20 IKED Cn1ccnc1[C@H](CCc1ccccc1)OC(=O)c1cn(CCCC#N)c2ccccc12 774131082 MIZJNIROXRXGAG-DEOSSOPVSA-N 426.520 5.209 30 20 IKED N#Cc1ccc(COC(=O)CCc2ncc(-c3ccccc3Cl)o2)c(Br)c1 778097079 PUERKNVTGCHORM-UHFFFAOYSA-N 445.700 5.305 30 20 IKED CC[C@@H](C#N)Oc1cccc(CN[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c1 779103869 GBTDYRJUSLAUIW-RXFWQSSRSA-N 448.950 5.671 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2O[C@H](C)C#N)c(C)c1 780146779 CTGDRUWXBHXLHZ-HXUWFJFHSA-N 436.515 5.699 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)COc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 780382148 VHVZDHDBLJGSPU-CQSZACIVSA-N 441.331 5.164 30 20 IKED CCCSc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccc(C#N)cn2)cc1 780557122 UNBDERVMGDKMGB-UHFFFAOYSA-N 439.588 5.598 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21 780680286 DYDDQGWIPIFBHC-SUMWQHHRSA-N 446.370 5.441 30 20 IKED Cc1cc(NC(=O)/C=C/c2ccccc2C#N)cc(C)c1NC(=O)/C=C\c1ccccc1C#N 785527586 XRRRKDBIWXGLJV-KPGXXQICSA-N 446.510 5.351 30 20 IKED N#C[C@H](C(=O)NCc1ccc(F)cc1F)C(=O)c1sc2cc(Cl)ccc2c1Cl 786559523 HVYGJRUDHVTDJA-ZDUSSCGKSA-N 439.270 5.125 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccnc(Oc2ccc(F)cc2F)c1 789402135 BMZIMGGMASPPJM-LJQANCHMSA-N 443.409 5.266 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 789451010 SFHLDFLIAKYLCB-UHFFFAOYSA-N 443.632 6.039 30 20 IKED N#C[C@@H](C(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nccc2ccccc12 792100764 MDNXJXDNUXVEMS-KRWDZBQOSA-N 438.327 5.528 30 20 IKED N#CC[C@H](CC(=O)OCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1 795980531 DWJWGDUOFHGXDI-DYESRHJHSA-N 445.346 5.288 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CON=Cc1c(Cl)nc2ccccn12 797844147 AVCZCIGJQFZARL-UHFFFAOYSA-N 428.323 5.053 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 806401492 UKNCIGGJECTLCU-UHFFFAOYSA-N 431.531 5.343 30 20 IKED COc1cc(/C=C\C(=O)c2sccc2Br)cc(OC)c1OCC(F)F 809155503 YSHMQCLQDWSONI-ARJAWSKDSA-N 433.270 5.068 30 20 IKED CCN(c1ccc(NC(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1)C(C)C 812454756 PYYYBYYMDNXMML-NRFANRHFSA-N 434.565 5.299 30 20 IKED N#C[C@H](C(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1)c1cc(C(F)(F)F)ccn1 813210887 APNZPRFFOSWRID-KKSFZXQISA-N 448.416 6.088 30 20 IKED N#C[C@@H](C(=O)C1CCC(OC[C@@H]2CCCO2)CC1)c1nc(-c2c(F)cccc2F)cs1 815925597 JYZRRYACUGFLIJ-GQGLESIBSA-N 446.519 5.019 30 20 IKED CC1(c2nc(-c3ccc(Br)o3)no2)CCN(c2ccc(Cl)cc2C#N)CC1 904629983 JJSAXRSUOZMXPK-UHFFFAOYSA-N 447.720 5.175 30 20 IKED COc1cc(C=NNc2ccc(Br)cc2)ccc1OCc1c(C)noc1C 912828015 CEUIEFOFALCHBJ-UHFFFAOYSA-N 430.302 5.088 30 20 IKED Cn1ccnc1[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(F)c1 915352823 KEAHAJDNXJAUCH-BJKOFHAPSA-N 439.494 5.126 30 20 IKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 915728878 DAPFJVLFEXAOBZ-RPBOFIJWSA-N 425.532 5.184 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccnc(N3CCCCC3)c2)cc1 916254922 SNRLYFWJIPKISK-XMMPIXPASA-N 425.536 5.049 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 916953268 BCUQNZNNIJRORO-KKSFZXQISA-N 445.544 5.475 30 20 IKED Cc1onc(-c2ccc(F)cc2)c1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916976941 XWRZBVFTTCZDAJ-QGZVFWFLSA-N 437.883 6.056 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)n2)cc1 916977282 OYIAJWMKQIXCTF-QFBILLFUSA-N 435.936 5.001 30 20 IKED COc1ccc2c(c1)CC/C(=C\c1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)C2=O 917562041 CROUXVHEKHFXPR-LFIBNONCSA-N 438.936 5.702 30 20 IKED N#CCCCOc1cccc(NC(=O)c2cc3ccc(OCc4ccccc4)cc3[nH]2)c1 919882666 URGJFDFLPHCITE-UHFFFAOYSA-N 425.488 5.682 30 20 IKED Cc1cc(C)c(NC(=S)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(Cl)c1 920994631 UCWJUBYFQMIABR-UHFFFAOYSA-N 437.971 6.367 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)CCC2)cc1 1785935063 KIHKGWKSUIVVQM-RTWAWAEBSA-N 435.955 5.127 30 20 IKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)c(Cl)c(Cl)c3)CCC2)cc1 1787650781 VHFJARSRKXCSOU-UHFFFAOYSA-N 436.726 5.308 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3cccc(C)c3)cc2)CCC1 1788362621 RYSMIEQTLKIJEQ-UHFFFAOYSA-N 437.543 5.218 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc4cccnc4s3)cc2)CCC1)C(F)(F)F 1788971395 PHLBDSMFQKDBCR-UHFFFAOYSA-N 445.466 5.163 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5ccccc5o4)cc3)CCC2)cc1 1789004371 BHGLSDOMXVRYBJ-UHFFFAOYSA-N 449.510 5.560 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccoc4cn3)CCC2)cc1 1789458307 VUNHLXDSWXLBHP-OAQYLSRUSA-N 429.520 5.344 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(F)cc3C(F)(F)F)CCC2)cc1 1792266419 WGLUVIPZOSRIOD-UHFFFAOYSA-N 432.417 5.006 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)/C(C)=C/c2cccs2)[C@H]1c1cccnc1 1802433101 CELCFYCFQCLHFH-RWTLANGKSA-N 449.620 5.021 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ncccc23)n[nH]1 1818472967 BAKZWMJRFZZAHQ-JOCHJYFZSA-N 445.567 5.256 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(C)cccc3[nH]2)[nH]n1 1819307020 LXSGDGGXWYYRDI-WZONZLPQSA-N 445.567 5.274 30 20 IKED Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)c1Cl 1830017462 WYAPTZJTJCKKQH-HSZRJFAPSA-N 449.982 5.067 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2cccc(CO)c2)c(C)s1 11258940 YMFUTVRBUKQAPO-UHFFFAOYSA-O 446.017 5.157 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 21128507 PQWDLQHLIQJJNB-UHFFFAOYSA-N 440.544 5.036 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)nnc1-c1cccc(C)c1 22212556 IJRUTYWFDWGMCK-ZDUSSCGKSA-N 448.379 5.261 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)C2(c3ccc(Br)cc3)CCCC2)cc1 26838695 DNRPVMTWQPYHQP-UHFFFAOYSA-N 442.357 5.207 30 20 IKED C[C@@H](NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1ccc(C(F)(F)F)cc1 30477223 RYZAHPNVNLDNDX-LLVKDONJSA-N 445.338 5.540 30 20 IKED C=CCOc1cccc(NC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1 60014609 ILRUJQICGDETHI-UHFFFAOYSA-N 444.575 5.336 30 20 IKED C[C@H](Nc1nc(C(F)(F)F)ccc1C#N)c1cccc(NC(=O)Cc2ccccc2F)c1 301307609 VUHAKDAYZVEJEY-AWEZNQCLSA-N 442.416 5.465 30 20 IKED N#CCC[C@@H](Nc1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1Cl)c1ccccc1 301784238 KSSSAQWTOWOQAC-QGZVFWFLSA-N 432.833 5.362 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cccc(OC[C@@H]3CCCO3)c2)cc1 302934481 IHOUHBYGALFUQY-SANMLTNESA-N 444.506 5.098 30 20 IKED N#CC1(C(=O)Nc2ccc3c(c2)[C@@H](NC(=O)C2(C#N)CCCCC2)CCC3)CCCCC1 410231682 GDXGWJMQYGTBCH-QFIPXVFZSA-N 432.568 5.067 30 20 IKED Cc1ccsc1[C@@H](CO)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 429049085 ODPYOQQLYLYUHC-GOSISDBHSA-N 427.913 5.229 30 20 IKED Cc1noc(C[C@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c2ccccc2)n1 429752691 AKVQCMYQRLIRMM-QHCPKHFHSA-N 439.475 5.148 30 20 IKED Cc1cc([C@@H]2CCCN2CC(=O)Nc2ccccc2SCC#N)ccc1Br 430243220 UPMHGQJRUBKPRQ-IBGZPJMESA-N 444.398 5.149 30 20 IKED C[C@H](CC#N)Sc1ccccc1N[C@@H]1CCN(c2cccc(Br)c2)C1=O 432331561 OBXQLHUCWWOJKK-RDTXWAMCSA-N 430.371 5.061 30 20 IKED C[C@H]1CCC[C@H](OCc2cccc(NCc3cn(CCC#N)nc3-c3ccncc3)c2)C1 433338951 JHRUYODRSWWVBR-CPJSRVTESA-N 429.568 5.566 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCSc1ccnc2cc(Cl)ccc12 434012195 NPWNZKDONGQUSU-HNNXBMFYSA-N 442.009 6.403 30 20 IKED CC(C)n1ncc2c(C(=O)N(C)c3cc(Cl)ccc3C#N)cc(-c3ccccc3)nc21 436003492 ASRZKPHRIYLKKV-UHFFFAOYSA-N 429.911 5.481 30 20 IKED CN1CCC[C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[C@@H]1c1cccs1 438225853 ULDUNMLRMIUETB-YADARESESA-N 446.576 5.617 30 20 IKED COCCN(C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[C@@H](C)c1ccccc1 438664987 KEJPUZJEDJCGKN-SFHVURJKSA-N 433.483 5.731 30 20 IKED N#C[C@@H](C(=O)c1ccc(C(F)(F)F)c(F)c1)c1nc(-c2c(F)cccc2F)cs1 439643934 HDQPWACIKGWYFA-JTQLQIEISA-N 426.341 5.736 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@]3(C[C@H]4CC[C@H]3C4)C2)cc1Cl 440918605 CPWBVDLFISLGJD-CMJNZLRFSA-N 435.955 5.418 30 20 IKED N#Cc1ccc(C2(C(=O)Nc3ccc(C(=O)N4CCC[C@H]4c4ccccc4)cc3)CC2)cc1 444005998 UKGRYZAZCCJBFO-VWLOTQADSA-N 435.527 5.206 30 20 IKED N#CCCCn1cc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c2ccccc21 444349871 FLIACFQFASJRCB-HXUWFJFHSA-N 444.583 5.131 30 20 IKED Cc1cc(=O)cc(C)n1CCCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 463587855 HGLQUYXNUHEHNV-QHCPKHFHSA-N 433.939 5.193 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccccc2NC(=O)NC(C)C)cc1 464927378 RBEUQTUQBPUILX-UHFFFAOYSA-N 428.492 5.441 30 20 IKED COc1ccc(C2CCN(C(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)CC2)cc1 465377346 RBJGVJZZJLCRRB-UHFFFAOYSA-N 442.563 5.109 30 20 IKED CC(C)(NC(=O)Nc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 467978623 JLGNGEOOXMOIQE-UHFFFAOYSA-N 448.910 5.543 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)c1cn(CCCC#N)c2ccccc12 469596129 CLKCLEXTFJVUEG-IBGZPJMESA-N 442.588 6.210 30 20 IKED N#CCCn1ccc(NC(=O)Nc2c(Oc3ccc(Cl)cc3)ccc3ncccc23)n1 470432594 IHVCTHSJXNZFHG-UHFFFAOYSA-N 432.871 5.435 30 20 IKED COC(=O)c1nc([C@@H]2CCCN2CCC(C#N)(c2ccccc2)c2ccccc2)sc1C 471024014 XOLZJGSAPORQNR-QFIPXVFZSA-N 445.588 5.275 30 20 IKED O=C(Nc1ccnc(OCC(F)(F)C(F)F)c1)c1ccc(Cl)cc1C(F)(F)F 472374295 MYWIASRGUOQKHG-UHFFFAOYSA-N 430.707 5.285 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCC1(c2cc(C)ccc2OC)CCOCC1 475584249 OLKYUEBIHZQWGQ-UHFFFAOYSA-N 436.596 5.725 30 20 IKED C=CCOc1ccccc1CNC(=O)N(C)[C@H]1CCSc2ccc(Br)cc21 477584359 CGZYLNYOYRBUNP-SFHVURJKSA-N 447.398 5.392 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC(c3nc4ccccc4s3)C2)c1 477729932 FFTKJERVNGABJQ-UHFFFAOYSA-N 445.931 5.853 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F 477884979 VJTZRLWJJBDINV-INIZCTEOSA-N 430.503 5.058 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1ccccc1Oc1ccccc1C#N 480254581 AIXUQZFUBQHIKG-AWEZNQCLSA-N 442.441 5.217 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(CC)cccc2CC)nnc1-c1ccc(C)cc1 481341181 HNZCGHVPAMDQDL-SFHVURJKSA-N 434.609 5.684 30 20 IKED Cc1ccc(-n2ncc(C(=O)[C@H](C#N)c3nccc4ccccc34)c2C2CC2)cc1Cl 483235290 SOEDQBZIJYQMTE-HXUWFJFHSA-N 426.907 5.750 30 20 IKED C[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(OC(F)(F)F)cc1 484896490 SZUUMMVSFVUXRA-CABCVRRESA-N 437.487 5.126 30 20 IKED Cc1oncc1C(=O)Nc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 486740230 HVCNIORXVOHKGG-UHFFFAOYSA-N 438.443 5.152 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3COC3CCOCC3)cc2)c1 487756275 VCUNOBAYXSSESP-UHFFFAOYSA-N 428.488 5.298 30 20 IKED C=CCN(CCc1ccco1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 490753469 BKUYNBQOOPXDRY-UHFFFAOYSA-N 447.413 5.406 30 20 IKED N#Cc1ccccc1-c1ccc(CS(=O)(=O)Cc2csc(-c3ccccc3F)n2)cc1 494692929 WFVNOFKKTFNGEV-UHFFFAOYSA-N 448.544 5.603 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1nc2ccccc2n1C(F)F 496336511 DJCPHTZQFCJIAD-CQSZACIVSA-N 445.347 6.200 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(C)Cc1cccc(C#N)c1 496943547 DVNBHGIAKURXEY-HNNXBMFYSA-N 425.941 5.147 30 20 IKED C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(OC2CCCCC2)CC1 497416658 KAWFGYNIEGIFRR-QGZVFWFLSA-N 429.630 5.029 30 20 IKED Cc1nc([C@H]2CCCCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)no1 500921394 FKOWRWZUQOVPCQ-IFMALSPDSA-N 449.942 5.836 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1ccc(-n2c(C)cnc2O)cc1 502398519 LPAHQPYVYQSSEJ-OAHLLOKOSA-N 430.961 5.060 30 20 IKED C=CCN(C(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502946993 OQJGJSIULOJUDD-UHFFFAOYSA-N 434.304 5.858 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)c3cnn(-c4ccccc4)c3)cc2Cl)cc1 504267055 USHGQLUYKZUFGP-UHFFFAOYSA-N 442.862 5.011 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)c2ccccc21 506628873 XTRYVBJVQGBFHJ-UHFFFAOYSA-N 433.405 5.668 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)cc1 507813005 PXAIVPINNYPMOC-OALUTQOASA-N 429.520 5.345 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@H](C)c2cc(F)ccc2F)cc1 508257417 HTMADMYBJYJLBA-OAHLLOKOSA-N 437.446 5.862 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1 509300479 LBHUSUNFJZRDEG-QGZVFWFLSA-N 446.576 5.047 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H]1Cc1cccc(F)c1 510905089 NMKDXGOUDZRMCP-QFIPXVFZSA-N 429.495 6.037 30 20 IKED COc1ccc(C)cc1[C@H](C)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511541815 UNBWSYYEYWXPKA-KRWDZBQOSA-N 428.492 5.010 30 20 IKED COc1cc(C)ccc1Oc1ccc(NC(=O)CCc2c(C)nc(O)c(C#N)c2C)cc1F 511544813 FEXGXJOURZPCQZ-UHFFFAOYSA-N 449.482 5.095 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 515158523 COCKJRWXMOBNHX-UHFFFAOYSA-N 434.971 5.242 30 20 IKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)sc2C)cc1 515546392 RSPJYYGHVNCUPM-QGZVFWFLSA-N 438.961 6.485 30 20 IKED Cc1ccccc1C1(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CCOCC1 517655690 PWPUHCAGIHUCFW-UHFFFAOYSA-N 440.543 5.332 30 20 IKED C=CCN(Cc1cccs1)C(=O)N[C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C 518047350 PXFIKACMBKNHJK-OAHLLOKOSA-N 432.014 6.292 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H]1CCOc2ccccc21 518222973 AFRXPSVWIWSSQR-OAQYLSRUSA-N 427.504 5.134 30 20 IKED COc1ccc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1Br 518259429 LBLOWLVFCIGHFG-ZDUSSCGKSA-N 434.359 5.174 30 20 IKED Cc1ccccc1C1(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCOCC1 519052543 YJKQYYAHWLLBDQ-UHFFFAOYSA-N 441.531 5.529 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](c1ncccc1C)C(C)C 523766447 JZWVXFUJVZTTIF-XMMPIXPASA-N 428.536 5.668 30 20 IKED CCCN(C(=O)[C@H](C)Oc1ccccc1C#N)[C@H](c1cccnc1)c1ccc(F)cc1F 525350963 ARRQVTCYUIWLRG-BXKMTCNYSA-N 435.474 5.027 30 20 IKED CC(C)(C)c1cc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(C#N)s1 539174137 ZGCDGYAIOJSSGQ-UHFFFAOYSA-N 436.503 5.186 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1 541749202 CZOLYYPRKRMWFE-UPVQGACJSA-N 446.547 5.640 30 20 IKED CCOc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc(Cl)c1O 547289420 OFYVNGBRCCESSF-UHFFFAOYSA-N 440.858 5.286 30 20 IKED N#CCC1CCN(C(=O)Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)CC1 548081744 YZMQZTZGFUXQGD-UHFFFAOYSA-N 426.929 5.900 30 20 IKED C=CCN(C(=O)c1scnc1COC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 551547878 AQCXAKNACMQWAZ-UHFFFAOYSA-N 440.377 5.553 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCc2ccccc2Cn2ccnc2)c1 554710831 LKZBKFDZANFUKB-UHFFFAOYSA-N 442.906 5.179 30 20 IKED Cc1c(NC(=O)c2sc3ccc(C#N)cc3c2C)cccc1C(=O)Nc1ccccc1 555636699 YIZZUUWDVDGBOE-UHFFFAOYSA-N 425.513 5.894 30 20 IKED C[C@@H](NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1ccc(OC(F)F)cc1 561011915 UGOKQRRVLXONFK-OAHLLOKOSA-N 447.913 5.297 30 20 IKED C[C@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1nc(-c2ccccc2)cs1 564301550 UAFBSHTXSGHMTG-HNNXBMFYSA-N 436.606 5.301 30 20 IKED CC(C)Cn1ncc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1C1CC1 566581369 KOGPVSKDECVZFQ-UHFFFAOYSA-N 439.991 5.187 30 20 IKED C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 567523211 QLCYCRLFEOJEEX-IWAYBZMOSA-N 448.514 5.085 30 20 IKED C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Oc2cccnc2)cc1 577537763 FHTQONFWWNEFNJ-MSOLQXFVSA-N 432.549 6.151 30 20 IKED Cc1ccccc1NC(=O)Cc1noc(-c2ccc(Oc3cccc(F)c3C#N)cc2)n1 581901648 GKOPHTJXGVNGAI-UHFFFAOYSA-N 428.423 5.029 30 20 IKED C=CCn1c(SCC(=O)N[C@H]2CC[C@H](C)CC2)nnc1-c1ccc(Cl)cc1Cl 594563873 JXIVOVHBMDTRSN-CTYIDZIISA-N 439.412 5.225 30 20 IKED CSc1ccc([N+](=O)[O-])c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 603613819 XUJDISGZEPLYEX-OAHLLOKOSA-N 429.910 5.584 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(Oc2ccccc2OC)cc1 603669351 MSMZTPCWQZGDKM-UHFFFAOYSA-N 432.476 5.165 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)cn2)c1 603691541 OYVPAALQKNFOHC-UHFFFAOYSA-N 435.487 5.548 30 20 IKED C=CCN(C(=O)c1ccc(-n2ccc(C)n2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603728913 UBSDZJGBXPTQNO-UHFFFAOYSA-N 445.504 5.045 30 20 IKED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(SCc3ccccc3)cc2)CC1 603836022 CPRBFFSMLLVZED-VWLOTQADSA-N 445.563 5.141 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N[C@@H](c2cccs2)C(C)(C)C)n1 603905299 OCWDYOOILPYXRH-INIZCTEOSA-N 427.517 5.338 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1 604363856 HSKIZOFNFKUPHR-IBGZPJMESA-N 438.487 5.903 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)cc1 608995836 JNTOPKLJGNUTRJ-XMMPIXPASA-N 447.466 5.104 30 20 IKED Cc1nc2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc2nc1C 609104047 MGMKPJWYZRQSRE-UHFFFAOYSA-N 426.451 5.089 30 20 IKED Cc1ccc(F)cc1NC(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 609387291 WFMDVLTZDVJWND-ZDUSSCGKSA-N 425.451 5.598 30 20 IKED N#CCCn1cc(/C=C\c2nc(-c3cccc(OCc4cccnc4)c3)no2)c2ccccc21 609475433 DXOSLWXVLPVBKG-QXMHVHEDSA-N 447.498 5.749 30 20 IKED C[S@](=O)Cc1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)ccc1Cl 609655546 QZOBPKUNFKFKLC-PMERELPUSA-N 438.936 5.329 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)n1 610164997 KKBPQESPYQEPFR-GOSISDBHSA-N 449.532 5.295 30 20 IKED C[C@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@@H](c2ccc(F)cc2)O1 610204996 DNYLJBWTASBSJC-FYSMJZIKSA-N 434.442 5.231 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 610318603 WZGLWGZFZSPHRF-UHFFFAOYSA-N 447.516 5.131 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)c1nc(Cc2nc3cc(C(F)(F)F)ccc3s2)no1 612882007 VVPUCQJBPITSLE-NSHDSACASA-N 430.411 5.301 30 20 IKED C=CCn1c(SCC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)nnc1-c1ccco1 614011962 GIIQIWIDMXLWEU-NRFANRHFSA-N 440.544 5.003 30 20 IKED O=C(Cc1ccc(OC(F)(F)F)cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642658666 HDLAVLFHNBJBFA-QWRGUYRKSA-N 437.302 5.153 30 20 IKED Fc1ccccc1COc1ccc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cn1 681400511 PPDCAEBMYXPBIM-HZPDHXFCSA-N 436.371 5.362 30 20 IKED N#CCCCOc1cccc(/C=C2\SC(=S)N(c3ccc(OC(F)F)cc3)C2=O)c1 726802081 SCDSTWICUINFFU-AQTBWJFISA-N 446.500 5.376 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccc(OC(F)(F)F)cc3)n2)cc1 727627412 NLHNUEITVOJOEX-GOSISDBHSA-N 430.451 5.826 30 20 IKED C[C@H](OC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1cccc(C#N)c1 727637263 VGYCSGPQRFTNJL-KSSFIOAISA-N 431.319 5.022 30 20 IKED N#Cc1cc(NC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)ccc1F 728180567 ULOXGPSPARWZKJ-UHFFFAOYSA-N 439.556 5.271 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)c2)cc1 729375959 YLDUAPNYRPREBT-UHFFFAOYSA-N 428.448 5.111 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 730996973 DZYLJEQREDVUAQ-DHZHZOJOSA-N 446.903 5.777 30 20 IKED COc1cc(/C=C/C(=O)c2c(C#N)c3n(c2C)CCC3)ccc1OCc1ccc(F)cc1 731937196 HFGXEGGQGBWQMW-YRNVUSSQSA-N 430.479 5.237 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccc(Br)cc1 733080207 RWQSRFGVPXNGQY-UHFFFAOYSA-N 436.235 5.156 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2Oc2cccc(C)c2)ccc1OC 733617429 HOCRLQHBCHSYKT-HXUWFJFHSA-N 445.519 5.799 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(CCc2ccccc2)C2CCCC2)ccc1OC 733656181 IRUKJKGQROQATK-QHCPKHFHSA-N 435.568 5.073 30 20 IKED N#CCCN(C(=O)CCC(=O)O[C@H](c1ccc(Cl)cc1)c1cccnc1)c1ccccc1 733698070 RGRAGUWOXKSWGU-RUZDIDTESA-N 447.922 5.095 30 20 IKED Cc1cc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)ccc1N1CCSCC1 734321865 NBBIQGYHVRXGTE-UHFFFAOYSA-N 443.572 5.251 30 20 IKED CCc1cccc(CC)c1-n1c(-c2cccnc2)nn(CN(CCC#N)C(C)C)c1=S 739846214 MWOBLZQTHAQOSI-UHFFFAOYSA-N 434.613 5.172 30 20 IKED Cn1cc(-c2cccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)c2)cn1 741548416 ZHDSVQFJGMEEKY-UHFFFAOYSA-N 428.879 5.657 30 20 IKED CC(C)(CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)NC(=O)OC(C)(C)C 742963679 UNBXFNCAXVFLDP-UHFFFAOYSA-N 427.476 5.122 30 20 IKED Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 743093106 MJHFXHHUVZNGMX-STXQHDJLSA-N 439.559 5.940 30 20 IKED COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1cccc(OCC#N)c1)CCO2 743102898 KYKCCQMFLQOSRL-XMMPIXPASA-N 443.503 5.155 30 20 IKED CC(C)=CCOc1cccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 744028120 GESFUBVMXGVMES-QHCPKHFHSA-N 440.499 5.785 30 20 IKED C[C@]1(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)CCCN(C(=O)c2ccccc2)C1 744034625 CTSFEYHEHBBPOC-HXOBKFHXSA-N 437.952 5.068 30 20 IKED C[C@@H](Oc1cccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1)C(=O)O 745020464 FQAFLMKWXNFXPU-YSKGHYERSA-N 441.823 5.256 30 20 IKED Cc1cc(F)ccc1-c1ccc(C(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)cc1F 745055700 SQCAFHQZLZQLAK-UHFFFAOYSA-N 431.398 5.219 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccccc1SCc1ccccc1 745297052 QQSSERAHZWMUPI-UHFFFAOYSA-N 441.556 5.004 30 20 IKED C[C@@H](OC(=O)c1cnc(-c2ccccc2Cl)s1)C(=O)Nc1ccc(C#N)c(Cl)c1 747951862 BOXPEQDOSOIXEJ-LLVKDONJSA-N 446.315 5.173 30 20 IKED Cc1cccc(C2(O)CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)CC2)c1C 748339178 LVOGNSGGSINNOG-UHFFFAOYSA-N 442.584 5.450 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H](c3ccccc3)C3CCCCC3)CC2)c1 749178105 HPWOBUSUNGZPSV-VWLOTQADSA-N 444.579 5.240 30 20 IKED C#Cc1cccc(N(CC)Cc2csc(N(C(C)=O)c3c(C)cc(C)cc3Cl)n2)c1 756592359 ZSRNVAONVYULRL-UHFFFAOYSA-N 437.996 6.106 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2C)cs1 756778922 ZTUXFHQCMNIHKN-DHZHZOJOSA-N 425.441 5.080 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccnc(Br)c2)cc1Cl 758178415 ZSPLNGXJJGGCKJ-KRWDZBQOSA-N 426.701 5.405 30 20 IKED CC(=NNc1cccc(Br)c1)c1ccc(CNC(=O)OC(C)(C)C)nc1C 760248461 IUTMTZIHZVVIFN-UHFFFAOYSA-N 433.350 5.013 30 20 IKED C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F 760251341 UZYMVARBMVUAMU-QMMMGPOBSA-N 440.714 5.263 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccc(F)cc2OCC#N)cc1 760800579 JWDICEHEIXWYTP-UHFFFAOYSA-N 443.478 5.456 30 20 IKED CC(C)(C)n1ncc2c(O)nc(NN=C3CCC(c4cccc(C(F)(F)F)c4)CC3)nc21 761818624 XNLODXZDRKRHAC-UHFFFAOYSA-N 446.477 5.431 30 20 IKED Cc1ccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccc3c(c2)CCCC3)cc1C 762436776 GCBKJUSKHSYPQC-UHFFFAOYSA-O 440.592 5.665 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC2CC(c3cccc(Br)c3)C2)ccc1OC 762608615 CKNXVIWOLWPRDJ-UUKMXZOPSA-N 429.358 5.174 30 20 IKED Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 763027119 LYKCMQDDIBMRKX-UHFFFAOYSA-N 447.878 5.212 30 20 IKED CCO[C@@H](C)c1ncc(C(=O)OCc2c(F)c(F)c(C(F)(F)F)c(F)c2F)s1 764901550 ABEQMSMIUDEVAW-LURJTMIESA-N 431.329 5.173 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 767880894 DQSSZCANSXSLOQ-KBXCAEBGSA-N 436.512 5.439 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H]2CCCc3ccc(Br)cc32)ccc1OC 772980557 SRYVHEVNQLLDSZ-ICSRJNTNSA-N 429.358 5.306 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 775724371 ZEOMTMMHNGPENP-HXPMCKFVSA-N 432.293 5.152 30 20 IKED COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)Nc2ccccc2O[C@@H](C)C#N)C1 780680115 DUPWXVNCNCDTFM-IRXDYDNUSA-N 427.932 5.126 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1 781762889 UVWIYHFYBXPXGR-AWEZNQCLSA-N 448.693 5.571 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2Cl)cs1 782189540 RDWBEOBQOGCTLW-YHYXMXQVSA-N 441.896 5.594 30 20 IKED C[C@@H](OC(=O)C1(Nc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)c1cccc(C#N)c1 783082099 BNWZOYYGVCXQFY-LJQANCHMSA-N 449.551 5.044 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 785734843 LEQCDFYBKONBQG-UHFFFAOYSA-N 441.531 5.139 30 20 IKED COc1cc(/C=C(\Cl)c2nc(O)c3c(-c4ccccc4)c(C)sc3n2)ccc1C#N 799494034 AHWUENHOALIEIH-YVLHZVERSA-N 433.920 5.990 30 20 IKED Oc1nc(CNc2ccc(OCC(F)(F)F)c(F)c2)nc2cc(C(F)(F)F)ccc12 799968887 GOVBKIAXBDYKBG-UHFFFAOYSA-N 435.299 5.047 30 20 IKED Cc1nn(C)c2sc(C(=O)/C=C/c3cn(-c4ccccc4)nc3-c3ccncc3)cc12 806579058 TWJQSMHEVWNPDO-CMDGGOBGSA-N 425.517 5.087 30 20 IKED Cc1nn(C(F)F)c(C)c1CC(=O)O[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F 809127807 LMVJMTSFKDODRS-CQSZACIVSA-N 430.295 5.303 30 20 IKED Cc1cccc(-c2nnc([C@H](C)OC(=O)c3ccccc3N/C=C/C(=O)C(F)(F)F)o2)c1 809685055 XTDFOXZFXQAGFX-VNDWYCCKSA-N 445.397 5.020 30 20 IKED N#Cc1ccc(OC2CCN(Cc3nc4ccc(Br)cc4s3)CC2)c(F)c1 809707220 SNRFWONELXHHBS-UHFFFAOYSA-N 446.345 5.113 30 20 IKED N#CCCCn1cc(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc21 811215920 BIZHZDGSCIUEKH-UHFFFAOYSA-N 446.488 5.334 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC([C@H](O)c2ccccc2)CC1 914539273 NVEYGFVQWAJKJS-RUZDIDTESA-N 428.557 5.295 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2NC(=O)c2cccs2)cc1 915085902 PVLVMFAJRAGTST-JOCHJYFZSA-N 437.524 5.908 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(c3ccc(Br)cc3)CC2)cc1 915086325 SUAACOAERJFSIW-QFIPXVFZSA-N 431.333 5.775 30 20 IKED N#C[C@@H](C(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1nc(-c2ccccc2)cs1 915101950 LDWSBZWSBJBQDT-AWEZNQCLSA-N 426.423 5.055 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1 917043333 HMMRTYHXMCYFJJ-HNNXBMFYSA-N 427.913 5.787 30 20 IKED C=CCN(Cc1cccs1)C(=O)/C=C\c1ccc(OCc2c(C)noc2C)c(OC)c1 917524851 HCWJJUGCMNALQO-LUAWRHEFSA-N 438.549 5.169 30 20 IKED Sc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(-n2cnc3ccccc32)cc1 917571949 QARGKASUAOMMHB-UHFFFAOYSA-N 430.924 5.108 30 20 IKED Cc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(-c3ccccc3)cc2)cc1 917613696 QGRGJHZLFBAEGR-UHFFFAOYSA-O 448.571 6.145 30 20 IKED COc1cccc(C[C@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 918035959 QLXYZPPCFPHEGF-AOYPEHQESA-N 425.532 5.590 30 20 IKED CCC(CC)[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccs1 918470565 KIZJZYOVCRPHMO-ISKFKSNPSA-N 445.588 5.636 30 20 IKED CC(C)N(C)c1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F 919653458 ZWRGJMAXZIGVBJ-TXEJJXNPSA-N 429.380 5.265 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3coc4ccc5ccccc5c34)n2)cc1 920140058 ABDKGFYSYFMXDI-NRFANRHFSA-N 433.492 6.000 30 20 IKED COc1cc(C=NN(C(=S)Nc2cccc(Cl)c2)C(C)(C)C)ccc1OCC#N 920385185 NMBSYWDTGIEIQU-UHFFFAOYSA-N 430.961 5.082 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(CN4CCCCC4=O)cc3)cc2)cc1 921009650 CWFZGRHSIGQEHN-UHFFFAOYSA-N 425.488 5.115 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C#N)cc3)cc2)CCC1 1785881639 FDBXZCRPUYZUBD-DEOSSOPVSA-N 427.548 5.003 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cccc4nc(C)sc34)cc2)CCC1 1788944969 SAXRJMFSYFITGM-UHFFFAOYSA-N 445.588 5.546 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccoc4)CCC3)cc2)c1 1792122651 DQDUNMWKXAKVFB-NJGYHNCTSA-N 439.515 5.368 30 20 IKED C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1CSc1ccccc1)C2 1802303948 XHSIWBSPOORMLS-NUNAXRQHSA-N 446.616 5.034 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/C2CCCCC2)[C@@H]1c1cccnc1 1802501275 WKHSMDWWEVHBHP-LOKBFVEHSA-N 437.628 5.216 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C)c2F)CC1 1823902977 GDMIVCVPAKHOQD-GGAORHGYSA-N 426.576 5.136 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3[nH]ccc3s2)CC1 1828332250 NKSDGJRIOOUXFN-FQEVSTJZSA-N 441.641 5.455 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/Sc2ccc(C)cc2)CC1 1831372902 KWJJVLSQSRVYIV-JXTWHVILSA-N 440.653 5.433 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 1831474278 BDSCTXAAASPRMI-KAMZKSLDSA-N 428.661 5.425 30 20 IKED Cc1ccc(-c2csc(/N=C(\O)c3ccc(=O)n(Cc4ccccc4Cl)c3)n2)s1 29312091 IUHWRRJYEJYKIS-UHFFFAOYSA-N 441.965 5.680 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1Oc1cccnc1 97542545 NSEHYVRLTGJCJX-UHFFFAOYSA-N 435.483 5.885 30 20 IKED Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 107659535 FSPTWZPPKHHMBP-JOCHJYFZSA-N 443.938 5.882 30 20 IKED C[C@@H](Cc1nnc(SCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)o1)c1ccccc1 212353994 JFTHCIJCRIYBNF-WPGBELRESA-N 433.577 5.389 30 20 IKED CN(C)CCCOc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 261456899 TXDBGJJIJQFTQK-UHFFFAOYSA-N 431.561 5.292 30 20 IKED N#Cc1cnc(Sc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccccc2)cn1 302231187 CNALEWBSEJMKGE-UHFFFAOYSA-N 439.331 5.113 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)cc1 303268447 QQTWYWJKFSHBEE-UHFFFAOYSA-N 429.863 5.840 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)Nc2ccc(C#N)cc2Cl)nc1-c1ccccc1 426165351 HTOOGIVZWJXXBL-HXUWFJFHSA-N 434.927 6.359 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)cc1 429207224 WHKKVCVGGKRMKM-UHFFFAOYSA-N 435.528 5.157 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NC3CCC4(CCOCC4)CC3)c2)cc1 438620150 GOYJJPXYOVLALN-UHFFFAOYSA-N 433.552 5.193 30 20 IKED N#CC1CCC(CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 441142957 GWZDXJWSHNSYOA-UHFFFAOYSA-N 429.929 5.459 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccc(CC(=O)N(C)C)cc1)c1ccc(C(F)(F)F)cc1 442202183 WZKPLPKHJVSZGM-HXUWFJFHSA-N 433.474 5.165 30 20 IKED O=C(CN[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)Nc1ccccc1C(F)(F)F 444809971 DDMSRDHFRFUASR-HNNXBMFYSA-N 428.735 5.330 30 20 IKED C[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(Br)cc1OCCCO 462967921 RRBKQAPMWDCBBL-OPAMFIHVSA-N 443.385 5.200 30 20 IKED Cc1ccc(CCN(CC(F)(F)F)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 463927056 SNUYZJCQSPLGRM-UHFFFAOYSA-N 442.437 5.286 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@H](CC(F)(F)F)c3ccccc3)ccc21 470543961 PNKQWOLXQJPMDY-LJQANCHMSA-N 444.457 5.085 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 475561855 MJJJJMVKKTUKKB-AZGAKELHSA-N 433.596 5.647 30 20 IKED CC(C)(C#N)CCCSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1 476502248 DGVWWXNOFUYODH-UHFFFAOYSA-N 435.380 6.315 30 20 IKED Cn1cc(-c2cc(F)ccc2NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cn1 477681824 SVOVWIDDBGCFCN-UHFFFAOYSA-N 446.869 5.796 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)nc1 477881235 QTQFRLNCTRSCRN-QGZVFWFLSA-N 430.876 5.499 30 20 IKED COc1ccc([C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C2CC2)cc1 480404266 KOCUUZHLZVHHCX-RUZDIDTESA-N 443.503 5.641 30 20 IKED C=CCN(C(=O)c1ccc(-c2ccccc2F)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 483203531 AZBQZJVKZFYRMU-UHFFFAOYSA-N 449.463 5.950 30 20 IKED C=CCn1c(SCc2cc(Cl)ccc2OCc2cccnc2)nnc1-c1ccccn1 488885816 FOCDDUQRNICABL-UHFFFAOYSA-N 449.967 5.446 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Cl)c3ccncc23)cc1C 490650298 XDOPWPJHNMKCMZ-UHFFFAOYSA-N 429.911 5.535 30 20 IKED N#Cc1ccc(Br)c(CNc2ccc(Cl)cc2NC(=O)c2ccco2)c1 492514550 NIDUSCJPTSOZQF-UHFFFAOYSA-N 430.689 5.432 30 20 IKED CC(C)Cn1ncc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C1CC1 497679370 PPLRAZBIUGTNRJ-SFHVURJKSA-N 427.552 5.838 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F 498098460 OLAPICPUTRTVEU-LSDHHAIUSA-N 426.410 5.732 30 20 IKED CC(C)n1ncc2c(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)cc(-c3ccccc3)nc21 498319689 PITQPFZIRLCHBB-UHFFFAOYSA-N 435.531 5.356 30 20 IKED CCc1sc(=O)n(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1-c1ccccc1 498877337 SKWJCCPBDIRXJR-INIZCTEOSA-N 437.590 5.030 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(CCCC3(C#N)CCOCC3)C2)n1 499736096 UEFFOYXTXMONHK-IBGZPJMESA-N 425.598 5.099 30 20 IKED O=C(COc1ccc(C(F)(F)F)cc1)Nc1cccc(COCC(F)(F)C(F)F)c1 502112374 RNPBUVLYXSDDPA-UHFFFAOYSA-N 439.327 5.140 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc(NC(N)=O)cc1 502492171 OCDXECQQCRYSFR-CQSZACIVSA-N 449.898 5.377 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1cccc(OCCCC#N)c1 502496090 HGIAFZSFEVQYPT-UHFFFAOYSA-N 440.503 5.772 30 20 IKED Cc1cc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)nn1-c1cccc(C#N)c1 502530701 ODIWCGWTHLQDBJ-UHFFFAOYSA-N 435.512 5.581 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 505010106 BNBAJWRWRFKYHQ-IBGZPJMESA-N 436.943 5.920 30 20 IKED N#C[C@@H](NC(=O)Cc1csc(-c2cccc(Br)c2)n1)c1ccccc1Cl 505636940 OMUHBJPLYWZGNM-QGZVFWFLSA-N 446.757 5.150 30 20 IKED CC(C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 510369576 PJBSYRABJLWEMX-KNKQGSTJSA-N 437.971 5.265 30 20 IKED CCN(CC)C(=O)c1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 511780715 ZRNAMINTOMZBLE-UHFFFAOYSA-N 441.531 5.066 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccccc1Cl 513665395 DLIQDGAMSAGGMH-QGZVFWFLSA-N 431.879 5.294 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ccccc2Cl)o1)c1nc(O)c2c3c(sc2n1)CCCC3 513665777 HXTIKVDEJWBTLC-AWEZNQCLSA-N 449.919 5.679 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2nnc(-c3ccsc3)s2)cc1 513874549 NTPRPZFTTMXJDX-UHFFFAOYSA-N 449.536 5.512 30 20 IKED CC(=O)Nc1cccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 516381286 MRENORACDNFVCC-QGZVFWFLSA-N 428.492 5.057 30 20 IKED Cc1cccc(COc2ccc(NC(=O)N3CCN(c4ccccc4C#N)CC3)c(C)c2)c1 516797949 NUBRJBWPHYYJEE-UHFFFAOYSA-N 440.547 5.108 30 20 IKED COc1ccc(CSCC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1[N+](=O)[O-] 517842533 FQBUGLCNZUDGND-UHFFFAOYSA-N 449.488 5.139 30 20 IKED N#Cc1cn(C[C@@H]2CCCO[C@H]2c2ccc(C(F)(F)F)cc2)c2ccc(Cl)cc2c1=O 518471527 LTAGIDHSXRPCLW-NYHFZMIOSA-N 446.856 5.713 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1Cc2ccccc2-c2ccccc2C1 518675708 MPOURLDHLAFDSN-SFHVURJKSA-N 441.556 5.086 30 20 IKED CCCN(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[C@H]1CCc2ccccc21 519913479 ZWRGKLKBNMIMLB-FQEVSTJZSA-N 449.605 5.633 30 20 IKED CC(=O)c1cccc(O[C@@H](C)C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1 520117224 DCHZPLFPVGHRFC-IBGZPJMESA-N 430.479 5.209 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N(Cc3ccccc3)CC3CCC3)cc2)c1 520932751 KVQUPFMMLONKIS-UHFFFAOYSA-N 439.515 5.118 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3C[C@@H]3c3ccc4ccccc4c3)s2)cc1 521752579 XACNAQSQDQKTEY-RTWAWAEBSA-N 442.569 5.597 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 521754423 WSKHGYOJWBLANU-JOCHJYFZSA-N 439.515 5.150 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCCOc1ccccc1Br 521796475 FBDPZZVGPDDNAV-OAHLLOKOSA-N 433.371 5.641 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2)nc1 521955695 VDRBZTRPKIMMCV-UHFFFAOYSA-N 443.444 5.030 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2csc(-c3ccoc3)n2)cc1 523100680 CTCKBUNXBKCMMB-UHFFFAOYSA-N 429.501 5.229 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)c1 523502564 BRFTUJADOWDVDZ-QFIPXVFZSA-N 434.879 5.424 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)cc1 523979988 WYAIDNVATNRBGM-LJAQVGFWSA-N 426.607 5.012 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccnn3Cc3cccc4ccccc34)o2)cc1 524380499 ILQVIOPHUJJSMD-UHFFFAOYSA-N 448.482 5.381 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)NCc3nc4cc(Cl)ccc4s3)c2)c1 524501019 JFVDDJCMESKHPX-UHFFFAOYSA-N 433.920 5.330 30 20 IKED C=CCn1c(SCc2ncc(-c3cccc(Br)c3)o2)nnc1-c1ccco1 525623794 COAOYSARSXOUDV-UHFFFAOYSA-N 443.326 5.434 30 20 IKED C=CCN(C(=O)c1cc(C2CC2)n(C)n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 525632527 POPHMPQGFJHZAV-UHFFFAOYSA-N 440.572 5.921 30 20 IKED CCOC(=O)c1cc2cc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)ccc2s1 533595234 PWDPLLLZAXLYTM-UHFFFAOYSA-N 449.532 5.025 30 20 IKED COc1cc(CN[C@H](C)c2ccccc2-n2cccn2)ccc1OCc1cccc(C#N)c1 537059397 GPKZAUCLOLJDJB-HXUWFJFHSA-N 438.531 5.182 30 20 IKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 541121752 VNDONVBNNLJTAG-UHFFFAOYSA-N 441.944 5.004 30 20 IKED C=CCn1c(SCc2ccc(Br)c3cccnc23)nnc1-c1ccccn1 542214474 XALUENGTFPUAEA-UHFFFAOYSA-N 438.354 5.129 30 20 IKED C[C@H](NC(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(-c2cccc(C#N)c2)cc1 544432996 MVGJVXPTKDEFNR-LGIRGXTLSA-N 443.522 5.645 30 20 IKED C[C@H](NC(=O)N1[C@H]2C=C(c3ccnn3C)C[C@H]1CC2)c1ccc(-c2cccc(C#N)c2)cc1 549128552 PFJVLPPVHIJMCN-PISWEHOVSA-N 437.547 5.050 30 20 IKED COc1ccc(-c2nc3c(s2)[C@H](NC(=O)c2ccc(C4(C#N)CC4)cc2)CCC3)cc1 554195116 VKLYXOJLTIQYQJ-HXUWFJFHSA-N 429.545 5.181 30 20 IKED CCOC(=O)c1cc2cc(NC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)ccc2s1 559071125 LHBYDEUTIBGVIX-UHFFFAOYSA-N 449.532 5.025 30 20 IKED N#CCC1CCN(c2nnc(Cc3ccc4ccccc4c3)n2Cc2cccs2)CC1 559167721 QWNOBTDXWXRPEJ-UHFFFAOYSA-N 427.577 5.262 30 20 IKED CCc1ccc([C@@H](C#N)NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 564250634 HZLIBCVDQMGXHU-BJKOFHAPSA-N 445.950 5.145 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCC(c3noc4cc(F)ccc34)CC2)c1 567205663 USDAULBSCOTUAV-UHFFFAOYSA-N 445.450 5.030 30 20 IKED C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 574354314 RATPRTCWZQVNSS-QGZVFWFLSA-N 442.523 5.208 30 20 IKED N#Cc1c(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)sc2c1CCCCC2 590613338 MVBDFFPSHWJSKR-UHFFFAOYSA-N 425.941 5.768 30 20 IKED Cc1ccc(-c2ccc(C(=O)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c(F)c2)cc1 592609748 MBOBHKOXVOZLSW-HZPDHXFCSA-N 433.367 6.004 30 20 IKED CN1c2ccccc2C(=O)N(c2ccccc2Cl)C12CCN(c1ccc(C#N)cc1)CC2 602755448 CZXBRKJKJOIQMG-UHFFFAOYSA-N 442.950 5.305 30 20 IKED N#C[C@H](C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1nc2cc(C(F)(F)F)ccc2s1 603846356 SIEUNXJSZXQGJZ-GFCCVEGCSA-N 430.367 5.195 30 20 IKED N#C[C@@H](C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1nc2cc(C(F)(F)F)ccc2s1 603846357 SIEUNXJSZXQGJZ-LBPRGKRZSA-N 430.367 5.195 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCO[C@@H](c4ccccc4F)C3)c2)cc1 608995083 ZNFZAEDQRSTSPV-RUZDIDTESA-N 445.494 5.076 30 20 IKED CCCN(CCC)C(=O)c1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 609057519 KGCBAELATQYBNB-UHFFFAOYSA-N 445.519 5.245 30 20 IKED C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 609104571 HXTWFUWFSQQRBD-KSFYIVLOSA-N 443.478 5.123 30 20 IKED COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 609281605 HLRVHCOWIBUJIX-QHCPKHFHSA-N 427.504 6.118 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Oc2ccc(CCOC)cc2)cc1 609398067 BERDYGZOPZMLIH-UHFFFAOYSA-N 441.531 5.760 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(C(F)(F)C(F)(F)F)cc3)cc2)nc1 609504827 LSNQHRQWSZOXJX-UHFFFAOYSA-N 433.336 5.652 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2cccc(-n3ccnc3)c2)c1 609724971 XGTAJCGRGRWGLF-UHFFFAOYSA-N 428.879 5.120 30 20 IKED Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 609912771 OGPIBHAHIJXSCT-HSZRJFAPSA-N 445.588 5.184 30 20 IKED CCN1CCN(c2ccc(NC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)c(C)c2)CC1 609985761 LAWOZHRIMMTVPA-UHFFFAOYSA-N 439.563 5.005 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)cc1 610069744 SSXHEDBGZFMKLC-JOCHJYFZSA-N 430.529 5.271 30 20 IKED COCCOCc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1F 610221411 VWOAHSMTYWAKER-KRWDZBQOSA-N 444.572 5.325 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)Nc3ccc4c(cnn4C(F)F)c3)c2)cc1 610962494 QBNJVTQLNTYEAP-UHFFFAOYSA-N 447.445 5.720 30 20 IKED N#Cc1c(NC(=O)c2sc(-c3ccccc3)nc2C(F)F)sc2c1CCCCC2 611184090 BYASXXOVKXRYTF-UHFFFAOYSA-N 429.517 6.202 30 20 IKED N#CCc1ccc(NC(=O)N[C@@H](CC(F)(F)F)c2ccc(Br)cc2)cc1 612556078 UUVLQGMBEGRMRI-INIZCTEOSA-N 426.236 5.330 30 20 IKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 616847084 KVZSRYAALFSJHB-UHFFFAOYSA-N 447.585 5.487 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(CC)cc2)nnc1-c1ccc(F)cc1 619097364 NONCVZWLSGSQOV-DLBZAZTESA-N 438.572 5.191 30 20 IKED COc1cc2c(cc1F)CC[C@H]2NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 619787341 CIWVUPNCGKNGOV-XMMPIXPASA-N 445.494 5.288 30 20 IKED O=C(Nc1cccc(C#Cc2ccccc2)c1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674554152 PSHACALOEQENJR-QZTJIDSGSA-N 426.360 5.291 30 20 IKED COc1cc(C(C)=NNc2nc(C(F)(F)F)nc3ccccc23)ccc1OC(F)F 725831968 YQMTVYHXQXSGDP-UHFFFAOYSA-N 426.345 5.095 30 20 IKED Cc1csc(Sc2ccc(NC(=O)c3ccccc3SCC#N)cc2Cl)n1 726950330 CHNNYBCZZJDFDB-UHFFFAOYSA-N 431.995 6.124 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(C(=O)OCc2ccccc2)c1 727606944 IWUBIKLGCRWHEY-UHFFFAOYSA-N 441.531 5.037 30 20 IKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(C2CCC2)C1=O 730460391 ZNZIYPZMZWKNGY-IBGZPJMESA-N 427.957 5.161 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 731060717 OGYROMRAKKPFLX-UHIXXWHTSA-N 440.609 5.559 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2cc(F)ccc2s1 731065208 ZOYCCBWRKFZVQN-CYBMUJFWSA-N 428.510 5.230 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)C1CCCCC1 731405573 HXWVXPVZYPFBLW-FDDCHVKYSA-N 435.593 5.457 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C/C(=O)c1ccc(C(F)(F)F)nc1O 731564532 IHWGAGYLHKCAQW-FNORWQNLSA-N 442.224 5.503 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OC 733652258 ALOMCUZAOHIIHB-XZOQPEGZSA-N 449.595 5.720 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)c1 734229557 MFVBYODVFRFFRH-XMMPIXPASA-N 445.478 5.252 30 20 IKED C=CC[C@H](NC(=O)N(C)[C@H]1CCSc2ccc(Br)cc21)c1ccncc1 734685399 ZZWQYQSBDZQWDL-ROUUACIJSA-N 432.387 5.340 30 20 IKED CC(C)N(Cc1cc(Cl)ccc1OCC#N)C[C@@H](O)COc1cccc2ccccc12 735309104 GBDFRGYJDQFDRQ-JOCHJYFZSA-N 438.955 5.046 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc3occc3s2)n(C2CCCCC2)c1C 736896066 MCWJRFRYRJUOBI-UHFFFAOYSA-N 425.510 5.085 30 20 IKED CC(=NNc1c(F)cc(F)cc1Br)c1sc2nc(C)nc(C)c2c1C 741771577 KVLJCBBOVLVGJR-UHFFFAOYSA-N 425.302 5.493 30 20 IKED CSc1cccc([C@@H](NC(=S)Nc2ccccc2C#N)c2cc(F)ccc2F)c1 743015520 IXOKZHJFLPOEQL-OAQYLSRUSA-N 425.529 5.634 30 20 IKED C#Cc1cccc(NC(=S)N[C@H](c2ccccc2Cl)c2ccc(OC)cc2OC)c1 743027073 MTUXVGVJVFLEOM-HSZRJFAPSA-N 436.964 5.415 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 743447631 QNFYZRYXJSEWQI-RDJZCZTQSA-N 431.945 5.039 30 20 IKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCCC(F)(F)F)c1 743731060 KNKSUPIWONAJLR-GOSISDBHSA-N 449.498 5.298 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)C[C@H](Cc1ccccc1)c1ccccc1 744031166 RTELKIILFULBCY-XZOQPEGZSA-N 426.516 5.149 30 20 IKED Cc1ccc(Br)cc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 744031502 YXAKAKZWYIYHME-ZDUSSCGKSA-N 426.097 5.026 30 20 IKED C[C@@H](Nc1ccc(OCc2ccccn2)c(Cl)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 744264326 JPOUDJLJKKTHPW-CQSZACIVSA-N 441.318 5.278 30 20 IKED C=C(C)COc1cc(/C=C2/SC(=S)N(c3cccc(OC)c3)C2=O)ccc1OC 747039586 AXNWKRSFRBNCHI-RGVLZGJSSA-N 427.547 5.065 30 20 IKED Cc1c(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cnn1-c1ccccn1 748442903 ZJHLVFMKSLGJLZ-JYRVWZFOSA-N 442.906 5.378 30 20 IKED CC(C)n1c([C@H]2CCCN2CC(=O)[C@@H](C#N)c2nc3ccccc3s2)nc2ccccc21 748823107 MTMHLXZKGIFHHZ-DYESRHJHSA-N 443.576 5.240 30 20 IKED C[C@H](C[C@H](O)c1cccs1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 752188797 MBYOOWASJBNNIM-JJXUHFIVSA-N 439.968 5.691 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@H](C)c1ccc2ccccc2c1 753519213 CBKCJISFWTUBDV-ROUUACIJSA-N 432.545 5.377 30 20 IKED CCCCOc1ccc(C=NOCc2nnc(-c3cccc4ccccc34)o2)cc1OC 753620136 WMJCCYMDEATNGZ-UHFFFAOYSA-N 431.492 5.628 30 20 IKED N#C[C@@H](C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)c1nc2cc(F)ccc2s1 754534666 REIHOHQAERPJNB-ZDUSSCGKSA-N 435.307 5.972 30 20 IKED C[C@H](NCc1ccc(OCC#N)cc1)c1nc(-c2ccc(Br)cc2)cs1 754953995 BOPDPEGGGHMRKD-AWEZNQCLSA-N 428.355 5.326 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc(-c3ccc(F)cc3)c(C)s2)ccc1OC 755316246 SXFYVSFXZAUWNI-IBGZPJMESA-N 438.524 5.482 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3nnc(-c4ccc(Cl)cc4)o3)n2)cc1 762070095 WCPVMVKMGUJQME-SFHVURJKSA-N 448.935 5.631 30 20 IKED N#CCCCn1cc(-c2nc(-c3ccc(-n4cnc5ccccc54)nc3)no2)c2ccccc21 766892735 DMEFNSOVFUQPPQ-UHFFFAOYSA-N 445.486 5.396 30 20 IKED CC(C)(C)OC(=O)N(CCCNC1CCC(C#N)(c2ccccc2)CC1)Cc1cccnc1 768401674 GHPUUOCZUKSMQV-UHFFFAOYSA-N 448.611 5.203 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)Nc3ccc(Br)c4ccccc34)CCO2)c1 774084427 KLPOEPRLWUXAFB-OAQYLSRUSA-N 436.309 5.079 30 20 IKED C[C@@H](CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)C(=O)c1ccc(Cl)cc1 777336437 NJMVGNIHHIBOPA-QMMMGPOBSA-N 440.714 5.263 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)c4cccnc34)n2)cc1 780311915 GSELWCUZGIDBRQ-KRWDZBQOSA-N 433.920 5.575 30 20 IKED Cc1sc2ncn(N=Cc3ccc(SC(F)F)cc3)c(=O)c2c1-c1ccccc1 781581759 KPTNAPRGOWCREI-UHFFFAOYSA-N 427.501 5.630 30 20 IKED C[C@@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1)c1ccc(-c2cccc(C#N)c2)cc1 782483947 AFEDQGZNXLOXTR-QGZVFWFLSA-N 445.519 5.334 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)n1 782685459 FKLKELMGMAYOFA-SFHVURJKSA-N 427.842 5.045 30 20 IKED N#Cc1ccc(NC(=S)Nc2nc3c(Cl)cccc3n2CC(F)(F)F)cc1Cl 789357700 OJVSRNLAELROKU-UHFFFAOYSA-N 444.269 5.586 30 20 IKED Sc1nnc(-c2ccccc2Cl)n1N=Cc1cc(Br)c(Cl)s1 790148751 KCOYIDTXHCGGSR-UHFFFAOYSA-N 434.171 5.247 30 20 IKED O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1cc(C(F)(F)F)cnc1Cl 790973133 FPSPMWJFVWDDJQ-LLVKDONJSA-N 448.697 5.389 30 20 IKED O=C(O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1nc(Br)ccc1F 791625870 WFCWOCNSCADSRO-LBPRGKRZSA-N 446.116 5.462 30 20 IKED N#C[C@@H](C(=O)COc1ccc2cc(Br)ccc2c1)c1nccc2ccccc12 792098863 FDZRCSITKBSSIE-NRFANRHFSA-N 431.289 5.406 30 20 IKED CCN(C(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 793170253 ZZFWMACEEMQFQQ-GOSISDBHSA-N 433.552 5.469 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2C[C@@H](C)CC[C@@H]2c2ccccc2OC)c1=S 795676896 VPEUIUFFHUEZEE-GHTZIAJQSA-N 435.597 5.101 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)CCc1cnc2ccccc2c1)c1ccc(Cl)cc1Cl 796891913 IJDFYKHQYDLXBV-IFXJQAMLSA-N 440.330 5.060 30 20 IKED CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)c(Cl)c1 799216014 ZJJYNSBSFXLLLE-SFHVURJKSA-N 433.936 5.076 30 20 IKED Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)n1 801705155 KPYSOIGCKISOJA-OAHLLOKOSA-N 447.310 5.732 30 20 IKED O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cccnc1C(F)(F)F 809329790 IDSGEALWTQJZRI-ONEGZZNKSA-N 428.254 5.790 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCN(c3ccccc3F)C2)cc1 812919279 KCOYZUVWKVCTLX-WMZHIEFXSA-N 428.511 5.129 30 20 IKED CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N[C@@H](CCCC#N)c3ccccc3)cc2CC1 817324823 PYWSWFZXQPYRCX-DEOSSOPVSA-N 447.579 5.187 30 20 IKED CC(=NOCC(=O)Nc1ccc(Cl)c(Cl)c1)c1nc2ccccc2n1C(F)F 836976194 ALEHKIXSGDKRPA-UHFFFAOYSA-N 427.238 5.118 30 20 IKED Cc1csc([C@@H](C#N)C(=O)COC(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)n1 900058797 FNEFDSYNOVSBCX-GQSKFBFOSA-N 442.949 5.266 30 20 IKED CC(C)(C)OC(=O)N[C@H](CCCCC#N)c1nc(-c2ccccc2Br)no1 904961452 BUGQRWUNWIXOHC-OAHLLOKOSA-N 435.322 5.149 30 20 IKED CSc1nc(C2CC2)cc(C(=O)OCCCC(=O)Nc2c(C)cc(C)cc2C)c1C#N 913286396 RCYCWQHCHSAPHU-UHFFFAOYSA-N 437.565 5.054 30 20 IKED N#C[C@H](C(=O)CCCc1ccc(Br)s1)c1nc(-c2ccccc2)cs1 915102015 MIBMNSZODKWLDT-OAHLLOKOSA-N 431.380 5.833 30 20 IKED CCN(CC)c1ccc(CN(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 915326427 ACESSTCNGXRSQC-UHFFFAOYSA-N 433.581 5.116 30 20 IKED COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2OC)cc1 916127558 JAAUHIWJYPAMIT-VZUCSPMQSA-N 438.426 5.235 30 20 IKED O=C(/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1cccc([N+](=O)[O-])c1 916136577 UPYNKAGJPMAGOP-YFHOEESVSA-N 441.270 6.050 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccccc1OC(C)C 916273122 SWGINFOEZHJCLU-UHFFFAOYSA-N 437.952 5.756 30 20 IKED C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916846997 JCCOUYBTFXXKAB-KSSFIOAISA-N 449.576 5.217 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc(Cc2ccccc2)n1 916886582 HPODECPLSHFPNS-MRXNPFEDSA-N 443.500 5.010 30 20 IKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCCC(C)C 916897667 OPKTWOOYAPNSKE-GOSISDBHSA-N 428.916 5.043 30 20 IKED Cc1ccc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(Cl)c(Cl)c2)c1 917613982 WHNSGVJWZLYYQJ-UHFFFAOYSA-O 441.363 5.784 30 20 IKED Cc1csc(SCc2ccc(C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cc2)n1 920106503 QKLOWGFLTWQNNV-IBGZPJMESA-N 445.569 5.739 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3nccc4[nH]ccc34)CCC2)cc1 1789451520 KKSHOEJZSZOZNG-FQEVSTJZSA-N 428.536 5.079 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc4scnc4c3)CC2)C1 1804862235 NTACOPBKNFSFCO-UHFFFAOYSA-N 439.625 5.134 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)c(Cl)c2)CC1 1823909631 FEEIACRKKYPIPL-HXUWFJFHSA-N 438.946 5.093 30 20 IKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C(C)(C)C)oc3C)CC2)C1 1825947860 VBJKLCOQYJDCGC-JOCHJYFZSA-N 426.601 5.085 30 20 IKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1826693269 MSZUZCLYXJKSJI-HSZRJFAPSA-N 443.547 5.123 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)c(F)c2)CC1 1828826765 BMGUPUOXKONIAP-LADGPHEKSA-N 426.576 5.136 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccccc2CC)c1 10174802 OWMPVCRSHKSVDS-UHFFFAOYSA-O 429.609 5.639 30 20 IKED CSc1nc(C2CC2)cc(C(=O)O[C@H](C(=O)Nc2ccccc2)c2ccccc2)c1C#N 12577782 BJSXPZSGUWUQCC-QFIPXVFZSA-N 443.528 5.089 30 20 IKED C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc2ccccc2n1C[C@H](C#N)CCC#N 14300859 AHDAYERBFWPLMJ-GJZGRUSLSA-N 440.334 5.278 30 20 IKED N#Cc1ccc(-c2ccc(OC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)cc2)cc1 14905681 FIPJZKKUCWHJDA-UHFFFAOYSA-N 447.903 5.626 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Oc2ccc(NC(=O)c3cccs3)cc2)c1C#N 27152123 IEWQGVNEOHSACY-UHFFFAOYSA-N 435.530 5.086 30 20 IKED C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 303479836 SSBZCTUDUHOJAE-YFXJRYMSSA-N 429.564 5.210 30 20 IKED N#CCOc1ccc(CC(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)cc2)cc1 303487209 PKTFGAPPNVZVBJ-UHFFFAOYSA-N 426.394 5.581 30 20 IKED N#CCCn1ncc(C(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)c1-c1ccccc1 410202084 INIDGNACEDSQSX-UHFFFAOYSA-N 436.918 5.218 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(O)nc2c(Br)cccc12 426280492 TZQUKSUSNXJDFL-GFCCVEGCSA-N 442.338 5.207 30 20 IKED Cc1cc(Br)c2c(c1)CN(C(=O)Nc1ccccc1SC[C@H](C)C#N)CC2 429416181 CAYCVGIUVBLSJV-OAHLLOKOSA-N 444.398 5.600 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(OCC2CCCC2)CC1 435128355 DBKQHXJIOLTXBK-UHFFFAOYSA-N 447.579 5.649 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(Cl)ccc1Cl 437447737 NITSQUNQUBGASU-ZDUSSCGKSA-N 425.406 6.117 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC(C(=O)NCCCC)CC1)c1ccc(C(F)(F)F)cc1 442302834 WOYUGVKCIULZLE-HXUWFJFHSA-N 439.522 5.051 30 20 IKED Cn1c([C@H](C#N)C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)nc2ccccc21 442608808 XEBQOSRZLBSQFG-CQSZACIVSA-N 437.286 5.557 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(c2cccc3cnccc23)C[C@@H]1C 446265677 GOEOOSIJURLWGW-FQEVSTJZSA-N 428.580 5.829 30 20 IKED O=C(Nc1ccc(Cl)cc1OC(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 460231245 INWAAFZLOUBUEJ-UHFFFAOYSA-N 426.691 5.290 30 20 IKED C[C@H](C#N)CSc1ccccc1NCC(=O)NCC1(c2ccc(F)cc2)CCCC1 462241009 YEPIKQMPJLTANH-GOSISDBHSA-N 425.573 5.118 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC(c2cccc(Cl)c2Cl)CC1 462779515 UVJBIXDOLFBYOZ-UHFFFAOYSA-N 444.362 5.380 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1c(F)cccc1Cl 463524952 GSKBEJDZULXMMT-UHFFFAOYSA-N 438.855 5.304 30 20 IKED CSc1cccc([C@@H](NC(=O)CSc2ccc(C#N)cc2)c2cc(F)ccc2F)c1 464133577 MYNZQKDZLYWHPR-HSZRJFAPSA-N 440.540 5.556 30 20 IKED C=CCn1c(SCC(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)nnc1-c1ccc(Cl)cc1 464539448 CECZWDYHXDKDBC-IIBYNOLFSA-N 438.984 5.096 30 20 IKED C=CCN(C(=O)C[C@H](OCC)C1=CCCC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 467103301 TWSLHTOZIBICHE-FQEVSTJZSA-N 427.526 5.143 30 20 IKED Cc1cc(N(CCC#N)C(=O)CNc2ccccc2S[C@H](C)CC#N)ccc1Cl 470536760 GHQZMCMLVWPDEY-QGZVFWFLSA-N 426.973 5.401 30 20 IKED CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 470673803 ICAYYJXJNQANLB-UHFFFAOYSA-N 435.402 5.237 30 20 IKED COc1cccc([C@H](NCc2nnc(-c3cccc(C#N)c3)o2)c2ccccc2Cl)c1 471684104 CNYCAEFFWLNRDE-QHCPKHFHSA-N 430.895 5.149 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F 475564859 CHOUHYDWLPHFTE-UHFFFAOYSA-N 445.485 6.024 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(Cc4ccccc4F)s3)n2)cc1 478542250 YIXVCZRUXXKKEW-KRWDZBQOSA-N 444.516 5.358 30 20 IKED Cc1onc(-c2ccncc2)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 480794946 LEVRJHYAINVHEY-HXUWFJFHSA-N 428.879 5.606 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1)c1ccc(C#N)cc1 481131321 MNZXBMJWOMBVKN-HNNXBMFYSA-N 435.936 5.179 30 20 IKED N#C[C@H](C(=O)c1ccccc1SCc1cn2ccccc2n1)c1cnc2ccccc2n1 483219743 UZEZWDPTWBJCDJ-IBGZPJMESA-N 435.512 5.060 30 20 IKED C=CCSc1ccccc1C(=O)Nc1cc(NC(=O)CN2CCCC[C@H]2C)ccc1F 485765615 GAZXQRAVKGZGGF-QGZVFWFLSA-N 441.572 5.169 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2c[nH]c3cccc(OC)c23)cc1 486910683 PAIOTGKGCURDRD-UHFFFAOYSA-N 427.460 5.030 30 20 IKED FC(F)Oc1ccccc1[C@H](NCc1nc2cc(C(F)(F)F)ccc2o1)C(F)(F)F 492379589 YBCLZEDFJWXKBP-HNNXBMFYSA-N 440.290 5.841 30 20 IKED Cc1cc(Br)cc2c1[C@H](Nc1ccc3c(c1)CCC(=O)N3CCCC#N)CC2 494517564 ZWXKDWQBMRMSFZ-HXUWFJFHSA-N 438.369 5.440 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1cc(Cl)ccc1OC(F)F 498732859 BMWBFFZVUWQLFP-UHFFFAOYSA-N 426.895 5.007 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)c1 498901745 SORDUSYAAITKFX-AREMUKBSSA-N 437.474 5.191 30 20 IKED C=CCN(Cc1cccs1)C(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 501850512 LFWLGSCSTTXUJE-JOCHJYFZSA-N 434.540 5.376 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)NCc3ccc(COCc4ccccc4)cc3)CC2)cc1 502302047 HICVGNRLOWPHDS-UHFFFAOYSA-N 437.543 5.274 30 20 IKED Cc1nc(NC(=O)c2sc(-c3ccc(Cl)s3)nc2C)sc1SCC#N 504802838 VRQQZHSVBILLLJ-UHFFFAOYSA-N 427.001 5.466 30 20 IKED C=CCN(CC=C)C(=O)[C@@H](C)S[C@@H](C)c1nc(O)c2c(-c3ccco3)csc2n1 505282378 YVKDFSZVPJPHKE-UONOGXRCSA-N 429.567 5.040 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2/C=C/c2ccccc2)cc1 506955663 UVRYCRRSOWWICC-FHWWYNCCSA-N 437.543 6.041 30 20 IKED C=CCn1c([C@H](C)CC)nnc1N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 508818114 QVHSJTYDZLMDRT-NVXWUHKLSA-N 426.952 5.065 30 20 IKED CCN(C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)[C@@H](C)c1ccc(C#N)cc1 509579241 LOZXMFWDQQNYRE-IBGZPJMESA-N 440.572 5.722 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N[C@H](C[C@H]3CCOC3)c3ccccc3)c2)cc1 510053061 CVEJHCMJZAABKW-ATIYNZHBSA-N 426.516 5.035 30 20 IKED CC(=O)c1ccc(Oc2ccc(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)cc2)cc1 511722155 QAJSVTNUUAGFTL-UHFFFAOYSA-N 440.434 5.130 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc(C)c1OCc1cccnc1 512936801 CQOFUTLIZVEAEN-NRFANRHFSA-N 440.528 5.286 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)s2)cc1OC 513171484 QSQMSVKLERXIRR-AWEZNQCLSA-N 447.438 5.040 30 20 IKED CC(C)OCc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 513873770 CPSHXVOSYPQBCQ-UHFFFAOYSA-N 431.511 5.857 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cc1 515284109 ZUKCMWIWHKCWBJ-UHFFFAOYSA-N 432.907 5.390 30 20 IKED C=CCN(C(=O)c1cc(C)nc2cc(Br)ccc12)c1nc2c(s1)CCCC2 515438154 RUZVUSDUKJBZKM-UHFFFAOYSA-N 442.382 5.474 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cccc(OC[C@@H]4CCCO4)c3)c2)cc1 516114204 CBBAPODSHHOUEZ-SANMLTNESA-N 442.515 5.142 30 20 IKED O=C(CNc1cc(C(F)(F)F)ccc1SCC(F)(F)F)Nc1c(F)cccc1F 516820631 PLBUETKEZAKPOW-UHFFFAOYSA-N 444.347 5.689 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)c1nc(-c2ccccc2)cs1 518480320 RLLBJXUIODRNKM-OAQYLSRUSA-N 439.496 5.191 30 20 IKED N#C[C@@H](C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 518805351 GPMQGTJOIRDFBH-AWEZNQCLSA-N 436.251 5.654 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1 519485380 XDULKXFCCLKGDA-QGZVFWFLSA-N 430.360 5.657 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 519914119 HPHMKAXYEDIHMP-KRWDZBQOSA-N 445.485 5.745 30 20 IKED Cc1nc(-c2ccc([C@H](C)NC(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)cs1 520195862 OOVJDGLVKLKINK-CVEARBPZSA-N 436.606 6.396 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(COCc2ccc(OC)cc2)c1 521449199 CRJRCUJBPXDNON-UHFFFAOYSA-N 443.547 5.728 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2coc(-c3cccs3)n2)cc1Cl 521569791 BNJZWLKNCMRFGM-LJQANCHMSA-N 433.920 5.893 30 20 IKED C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 521886387 VEUHAENGNMOJEP-ZBEGNZNMSA-N 443.288 5.330 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1C 523536086 CSVJFBQNNIHNEA-UHFFFAOYSA-N 441.343 6.135 30 20 IKED CCN(C)Cc1cccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 523629430 VHUJXMKEXPDZBG-UHFFFAOYSA-N 446.526 5.050 30 20 IKED Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F 525029081 IEQKXPMNYQLSQC-UHFFFAOYSA-N 444.347 6.037 30 20 IKED COc1cc([C@@H](C)NCc2nnc(-c3ccc(C#N)cc3)o2)ccc1OCc1ccccc1 540352512 OMXPHXFHPYPDRU-GOSISDBHSA-N 440.503 5.047 30 20 IKED C=CCC[C@H](NCc1nc(-c2ccc3c(c2)OCO3)no1)c1ccc(C(F)(F)F)cc1 540430367 PCUOTAXHDLBZFM-KRWDZBQOSA-N 431.414 5.281 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1 540859527 WJDRURJSIIFMSD-UHFFFAOYSA-N 446.453 5.364 30 20 IKED CC[C@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1nc(C(F)(F)F)cs1 541636310 SSJSACOMYHBONT-ZDUSSCGKSA-N 442.532 5.043 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NCC(=O)N(CCC#N)c1cccc(Cl)c1 544487340 SYPACNHSOQHQDK-MRXNPFEDSA-N 438.984 5.369 30 20 IKED CN1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)[C@H](c2ccccc2)C1 549013715 PUOMOZJDHVTIAB-NOZRDPDXSA-N 444.966 5.516 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CN[C@@H](C)c2ccc(C#N)cc2)cs1 549171610 DISQCOANHUZIKM-AWEZNQCLSA-N 444.482 5.569 30 20 IKED C=CCOc1ccc(CNC(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1 566965333 AWPAUZLBYYUEAP-UHFFFAOYSA-N 425.872 5.072 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@@H](CC(F)(F)F)c3ccccc3)cc2)ccn1 573732411 CESNIBQGUKSRTA-FQEVSTJZSA-N 426.398 5.561 30 20 IKED N#Cc1ccc(N2CC[C@@H](Sc3ncnc4scc(-c5ccc(F)cc5)c34)C2=O)cc1 589722521 NABLRSHFIHTDCX-LJQANCHMSA-N 446.532 5.267 30 20 IKED N#Cc1ccc(CNC(=O)c2ccccc2SCc2ccc(Br)cc2)cc1 603737266 IHLSAFUHVKCJDH-UHFFFAOYSA-N 437.362 5.543 30 20 IKED CCOc1ccc([C@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 603804271 SWSOSUSJZQRYHF-IBGZPJMESA-N 429.520 5.613 30 20 IKED COC(=O)c1ccoc1CSc1ccccc1C(=O)[C@H](C#N)c1ccc2ccccc2n1 603835661 FJXYAHUZYBEYED-LJQANCHMSA-N 442.496 5.397 30 20 IKED Cc1nc(SCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)c(C#N)c(C)c1C 604003814 FXYBFGPBLPMNRH-UHFFFAOYSA-N 444.560 5.170 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1 604521178 AOEWSQQWNFBGPC-LLZJGCNPSA-N 433.596 5.038 30 20 IKED Cc1nc(C(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)ccc1C#N 608850930 OPAUDNDCBYFJJI-UHFFFAOYSA-N 444.878 5.401 30 20 IKED COc1ccccc1[C@@H]1CCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 609047056 REXCEXIEZYKUPS-QHCPKHFHSA-N 440.503 5.188 30 20 IKED COc1ccc(CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1Cl 609061001 HOBSJEXCFRLKRQ-UHFFFAOYSA-N 434.923 5.679 30 20 IKED COCc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 609080479 YWGRVMLWPZMZGI-UHFFFAOYSA-N 435.911 5.259 30 20 IKED N#C[C@@H](NC(=O)CCCOc1ccc(F)cc1F)c1ccc(OCc2ccccc2)cc1 609174624 PWBNHMPUTFXYQO-HSZRJFAPSA-N 436.458 5.084 30 20 IKED COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 609279455 UBONQANLOMFEKP-NRFANRHFSA-N 432.549 5.373 30 20 IKED COc1ccc(C[C@H](C)NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC 609322542 RQVSFKYNFWMULP-KRWDZBQOSA-N 431.492 5.120 30 20 IKED CCCOc1ccc([C@@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1OC 609398641 HJRARBYWNHHHEU-IAGOWNOFSA-N 427.570 5.618 30 20 IKED CC(C)Oc1ccc(CC[C@@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 609435012 KPKMVPLIXDCKHH-RTBURBONSA-N 425.598 6.011 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 609437841 SZAQWJHHCXCVOG-BEFAXECRSA-N 427.957 5.036 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(NCCc4ccccc4)cc3)o2)cc1 609477040 BHZIQBGSNSOEJO-UHFFFAOYSA-N 437.499 5.637 30 20 IKED CCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 609521444 GLQKNNUUVHUNOJ-HYBUGGRVSA-N 440.547 5.043 30 20 IKED CN(C)[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1c(F)cccc1F 609682769 BNRSNTHPTJARFU-JOCHJYFZSA-N 436.462 5.053 30 20 IKED CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 609744234 SAVDCMJFKBAHDA-INIZCTEOSA-N 437.594 5.535 30 20 IKED CCO[C@H](C)c1nc(CC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cs1 609754311 KPPAIVHKJJGDRS-QGZVFWFLSA-N 437.540 5.336 30 20 IKED N#Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)ccc1OCC(F)(F)F 610153173 UYRCAHNIADZPJJ-GJZGRUSLSA-N 444.331 5.140 30 20 IKED CCOC(=O)CC[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 611050044 DWTVMLZVXWODTC-KRWDZBQOSA-N 439.487 5.077 30 20 IKED N#C[C@H](C(=O)c1cccc(NC(N)=O)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346993 UOWSOHSNTHGRQN-CQSZACIVSA-N 431.304 5.098 30 20 IKED C=CCc1ccc(OC[C@@H](O)CSc2nnc(-c3ccc4ccccc4c3)o2)c(OC)c1 613369139 CFFYVZYHJUSGKU-OAQYLSRUSA-N 448.544 5.159 30 20 IKED O=C([C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618301515 RFYIEXWBFWYTKL-XJFOESAGSA-N 433.314 5.398 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)NCc3ccc(C#N)c(Cl)c3)s2)cc1 619769247 YZRSJSORSQADEW-MRXNPFEDSA-N 438.984 5.855 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1CCCOc2c(F)cccc21 679313301 YWSYPLRWSROZLP-OXJKWZBOSA-N 442.375 5.248 30 20 IKED N#Cc1cn(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c2ccc(Cl)cc2c1=O 728704725 JLIDZSXOAJAVJD-UHFFFAOYSA-N 441.101 5.125 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(CN4CCCCC4=O)cc3)c2)cc1 729375592 MNIYSMRZUIIPPW-UHFFFAOYSA-N 425.488 5.115 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](c1cc(Br)ccc1F)C(F)(F)F 730405814 NHQWRTXYHLWFEL-HWPZZCPQSA-N 446.194 5.074 30 20 IKED Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3nc(C)c(SCC#N)s3)c2c1 730478967 UCUVOTAMLLBTLF-UHFFFAOYSA-N 431.546 5.238 30 20 IKED O=C(/C=C/c1ncc(-c2cccc(Br)c2)[nH]1)c1ccc(Cl)c([N+](=O)[O-])c1 731939429 XZTCCTGHSHSZEH-VOTSOKGWSA-N 432.661 5.297 30 20 IKED Cc1cnc2c(S(=O)(=O)O[C@@H](Cc3ccc(Cl)cc3)C(F)(F)F)cccc2c1 734153785 PKZINIIVZPNELQ-KRWDZBQOSA-N 429.847 5.076 30 20 IKED CCOc1c(Br)cc(/C=C\C(=O)c2c[nH]c3ccc(OC)cc23)cc1OC 734307306 MDRBGYSQVDNADJ-YVMONPNESA-N 430.298 5.242 30 20 IKED N#Cc1ccc(NC(=S)Nc2cccc(Oc3ccnc4ccccc34)c2)cc1Cl 734311440 QNLJZRDZCHLHGK-UHFFFAOYSA-N 430.920 6.361 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)c1 735114363 HMFMQADQHILMKF-RUZDIDTESA-N 446.934 5.590 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1nc(-c2ccncc2)cs1 741437868 KNEMNGFQMZWHAX-ARFHVFGLSA-N 429.423 5.084 30 20 IKED COCCOc1cccc(F)c1C(=O)/C=C\c1ccc(-c2cccc([N+](=O)[O-])c2)s1 741840662 BJHVGWJYLGPMAQ-NTMALXAHSA-N 427.453 5.384 30 20 IKED O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)c1c(Cl)nc2sccn12 741844909 SPLLNPGHFDUSCT-HJWRWDBZSA-N 431.908 5.193 30 20 IKED COc1cc(CNCc2cc(C#N)ccc2F)ccc1OCCOc1ccccc1Cl 742382583 DANIDYBPNYSGJI-UHFFFAOYSA-N 440.902 5.107 30 20 IKED COc1ccc(Cl)c(NC(=S)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 742999344 RKIXXGQPGWBOJX-UHFFFAOYSA-N 445.919 6.182 30 20 IKED COc1ccc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1SC(F)(F)F 743842538 HKEMOHYNIIKDJH-GHMZBOCLSA-N 441.359 5.870 30 20 IKED C/C(=C\C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1cccc(C(F)(F)F)c1 745483314 LDRSTRVMVWXEDC-FOWTUZBSSA-N 440.421 5.403 30 20 IKED C=C(C)COc1cc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)ccc1OC 747045836 MTEPBIJKJKSUFI-UHFFFAOYSA-N 444.560 5.157 30 20 IKED C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccc(Cl)c(Cl)c1 747109724 DCRYRDPBBHBXCD-WBMJQRKESA-N 426.328 5.969 30 20 IKED O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CC2(CCOCC2)C/C1=C\c1cccc([N+](=O)[O-])c1 751517275 KRWZJJNDDMVRQG-AYKLPDECSA-N 434.448 5.130 30 20 IKED C[C@H](OC(=O)c1ccccc1OCC#N)c1cnc(-c2ccc(Br)cc2)s1 752562963 HQQYJCDLQDMDCW-ZDUSSCGKSA-N 443.322 5.393 30 20 IKED N#C[C@H](C(=O)CC(Cc1ccccc1)Cc1ccccc1)C(=O)Nc1ccccc1Cl 753396689 UUZOCVQQSDSBMG-JOCHJYFZSA-N 430.935 5.479 30 20 IKED C[C@H](CSc1ccc(F)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 756232701 DNWCDSKERHETKA-PXAZEXFGSA-N 438.496 5.216 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(F)cccc2F)cc1 757150821 LNVFLSCYVWENOW-HNNXBMFYSA-N 436.414 5.121 30 20 IKED C=CC(=O)Nc1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)ccc1F 758291454 AHQABVLOQKNFBY-UHFFFAOYSA-N 435.842 5.520 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)OC(=O)Cc1cccc(OCC#N)c1 760466571 ZGCFGSDWJPQTOM-OAHLLOKOSA-N 426.925 5.521 30 20 IKED COc1ccc(Br)c(CC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c1 762033112 ZDLKLJCXUWFYFR-KRWDZBQOSA-N 441.350 5.309 30 20 IKED CCS[C@@H](C)c1noc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)n1 765910340 SQGIFOHQYZOVMW-JXFKEZNVSA-N 435.553 5.203 30 20 IKED C#CCCN(Cn1nc(-c2cccs2)n(Cc2ccccc2)c1=S)CC(F)(F)F 767503457 DDRTUIGCPVAZKD-UHFFFAOYSA-N 436.528 5.036 30 20 IKED C[C@H](Oc1cccc2ccccc12)C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 769350193 APSVBFRIAYLPSI-MSOLQXFVSA-N 448.544 5.183 30 20 IKED C[C@H](CSCc1ccccc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 772970713 GXIHIQFMCBARKX-KDOFPFPSSA-N 434.533 5.218 30 20 IKED C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)[C@@H](C)Oc1ccc(Cl)cc1Cl 777114317 IVRFPDYHNZDQFA-LSDHHAIUSA-N 434.367 5.094 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1csc(-c2cccc3ccccc23)n1 778299193 VUHFHXRZXUPIOL-KRWDZBQOSA-N 431.904 5.578 30 20 IKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)Nc3ccccc3O[C@H](C)C#N)cc12 780164107 NTJFBTDSUQTXNJ-CYBMUJFWSA-N 436.924 5.592 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)O[C@H](Cc1ccc(F)cc1)C(F)(F)F 781757198 FKDGIHNTHQNPNA-ZUZCIYMTSA-N 440.359 5.022 30 20 IKED CC(C)CCOc1cccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 783913433 AMKJCDBFQKGNHN-VWLOTQADSA-N 441.531 5.344 30 20 IKED Cc1ccnc2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c(C)c12 786311697 LVNOHTIKKDDVAH-GOSISDBHSA-N 441.512 5.667 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=S)Nc3ccc(SC(F)F)cc3)ccc21 787195017 CDCLKJSJRHXZBQ-UHFFFAOYSA-N 446.548 5.393 30 20 IKED COc1ccc2c(c1)CN(C(=O)Nc1ccc(F)cc1OCC#N)[C@@H](c1ccccc1)C2 787416360 CZOMWRGFFZAYGB-HSZRJFAPSA-N 431.467 5.068 30 20 IKED C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc([C@@H](C)Sc3ccccc3)cc2)n1 788625623 LQTRRVPIGXSSSG-HXUWFJFHSA-N 448.592 5.050 30 20 IKED COC(=O)c1csc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)c1 794723702 JJYBQWBJEHVOIU-MDZDMXLPSA-N 425.893 5.337 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H]2CCCc3cc(Br)ccc32)ccc1OC 794812001 VCKMWNHZXUPBIQ-QUCCMNQESA-N 429.358 5.306 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2CCC([C@@H](F)c3ccccc3F)CC2)c1=S 795652244 IWJFOOFDMFIYSY-OAQYLSRUSA-N 441.551 5.181 30 20 IKED COc1ccc(C(=O)C[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 796902333 BKZSEUMFMAZAJL-XJKSGUPXSA-N 440.471 5.182 30 20 IKED C=CC[C@H](OC(=O)CCc1c(C)nc(SC)nc1O)c1ccc(Cl)c(Cl)c1 797553061 QKRWZGPLILRPHO-INIZCTEOSA-N 427.353 5.313 30 20 IKED CCN(Cc1ccccc1NC(=O)NCc1ccc(C#N)c(Cl)c1)C(=O)OC(C)(C)C 801631111 KZWIQIACIGKCKW-UHFFFAOYSA-N 442.947 5.290 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)c1 805114146 QSKRWVRKSVHQJP-WIYYLYMNSA-N 447.457 5.217 30 20 IKED C[C@@H](OC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1nc2ccccc2n1C 805889829 PVUIZMCOKVEZJO-MRXNPFEDSA-N 436.943 5.009 30 20 IKED Cc1c(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)n[nH]c1C1CC1 806790167 DNQQNBWHPLRKBG-UHFFFAOYSA-N 446.458 5.177 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](C)c2ccc(F)c3ccccc23)ccc1OC 806806976 RSGGZMFWJVLAJS-WMZOPIPTSA-N 435.499 5.229 30 20 IKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1CC1CC(F)(F)C1 813561567 KGRHXSMOEDKVNU-IBGZPJMESA-N 443.519 5.001 30 20 IKED CC(C)(C)OC(=O)NC1[C@H]2CCC[C@H]1CC(C(=O)N[C@H](CCCC#N)c1ccccc1)C2 817319606 PYNXVPCJTRBAEU-NGEZVKBWSA-N 439.600 5.257 30 20 IKED C[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)CCCC(=O)Nc1ccccc1C#N 819468599 KYDDQNCSCFQTQA-HXUWFJFHSA-N 444.579 5.025 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cn3c4ccccc4c(=O)c4ccccc43)n2)cc1 915100375 PEHNBIZABVLXCF-NRFANRHFSA-N 449.535 5.463 30 20 IKED CCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(OC)c1 916205335 FXPMDUPTMOYHPY-NRFANRHFSA-N 439.581 5.072 30 20 IKED N#C[C@@H](C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)c1ccccc1 916622679 GRYZAVCYLDSFLH-HXUWFJFHSA-N 445.931 5.008 30 20 IKED N#C[C@H](C(=O)CCc1c[nH]c2ccccc12)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995707 GCSPNQFIJCWMDU-QGZVFWFLSA-N 440.355 6.407 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2ncnc3sc(C)c(C)c23)cs1 917535445 GCFWHNCPEARCPQ-UHFFFAOYSA-N 436.566 5.204 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(-c3cccs3)cc2)cs1 917560306 LGNIYDUKINEAPR-JLHYYAGUSA-N 448.544 6.591 30 20 IKED COCCOc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1Cl 918747726 OJFFZNRCSWWEFS-AWEZNQCLSA-N 447.988 5.006 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCCCOc1cc(C)ccc1C 920323474 BVCGXCZMWGDQED-SFHVURJKSA-N 442.943 5.171 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 921114769 YBMMVVZJCREMJH-FDDCHVKYSA-N 446.501 5.268 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)/C(C)=C/c3cccs3)cc2)CCC1 1785818919 UEKSQTIUUJAREI-BMRADRMJSA-N 426.607 5.205 30 20 IKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cc4ccccc4o3)CCC2)cc1 1786370702 GZJVHOJPGXCMLJ-JKIKYLSZSA-N 444.531 5.171 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)/C=C\c4c[nH]c5ccccc45)cc3)CCC2)C1 1786778117 QFPKFWZNXLBQOD-GHXNOFRVSA-N 425.532 5.281 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccccc3OC)CCC2)cc1 1789458199 PGTMANDRNSQUHD-HSZRJFAPSA-N 432.564 5.140 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccsc4)CCC3)cc2)c(Cl)c1 1790763945 HXZSAEFIITXOAF-UHFFFAOYSA-N 435.936 5.335 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3cc[nH]c23)CC1 1823752732 XPBKDUINWJNGBS-HSZRJFAPSA-N 435.612 5.394 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cnc(C)s2)CC1 1823755207 NNCKMVMCOUAMQD-NELJVSICSA-N 443.657 5.077 30 20 IKED CCCCCc1ccc(/C=C/C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCC#N)CC2)cc1 1824079133 QGKXCSFUXKLCKH-OXVFXORMSA-N 449.639 5.356 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C(F)(F)F)CCC2)CC1 1826759702 AHSIEPDRTDLFDA-HXUWFJFHSA-N 440.550 5.107 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)c(F)c2)CC1 1828826767 BMGUPUOXKONIAP-UPVQGACJSA-N 426.576 5.136 30 20 IKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/Sc3ccc(C)cc3)CC2)C1 1828878729 OGCXYQBXUTUFHG-VVGNJXTRSA-N 438.637 5.187 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2SC)CC1 1829480965 IICXKWCEBARRRY-OAQYLSRUSA-N 443.657 5.029 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC)cc2C)CC1 1830116549 MXGNDLPNCKHFAW-NOZRDPDXSA-N 438.612 5.005 30 20 IKED C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N(CCC#N)c1ccccc1 22248598 ZXXLSGBXJPVFIJ-CQSZACIVSA-N 430.455 5.076 30 20 IKED COc1ccc2c(c1)c(CC(=O)OCCCCC#N)c(C)n2C(=O)c1ccc(Cl)cc1 25394398 NAWQHHJFRVMHMT-UHFFFAOYSA-N 438.911 5.080 30 20 IKED C=CCn1c(SCC(=O)N(C)CC2CCCC2)nnc1-c1ccc(Cl)cc1Cl 58294787 QWPTZBLQJPCAFU-UHFFFAOYSA-N 439.412 5.179 30 20 IKED COc1cc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)ccc1SC 58646556 YFXCIVQPAZWDFF-UHFFFAOYSA-N 433.533 5.745 30 20 IKED COc1cccc(Nc2nnc(SCC(=O)c3cn(CCC#N)c4ccccc34)s2)c1 58740394 HHKKQSNAOZJJET-UHFFFAOYSA-N 449.561 5.134 30 20 IKED C=C(C)COc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OC 60790208 DFIUMWLGLWXCAJ-NDENLUEZSA-N 427.547 5.065 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cc1 65087776 FWGAYKFUJKKXJJ-UHFFFAOYSA-N 436.515 5.033 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1 104862246 DBBSAKDINCRWRA-UHFFFAOYSA-N 430.504 5.233 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 107806495 TUNCHSDDWUFTIF-SFHVURJKSA-N 429.520 5.758 30 20 IKED O=C(/C=C\C1=Cc2cc(Cl)cc(Cl)c2OC1)c1ccc(N2CCC(O)CC2)cc1 210163970 VYXLYMUDECPYNO-BHQIHCQQSA-N 430.331 5.169 30 20 IKED Cc1ccc(-n2cnnc2SCC(=O)c2cn(CCC#N)c3ccccc23)cc1Cl 248138144 DGBGURNCUFGDEY-UHFFFAOYSA-N 435.940 5.073 30 20 IKED COc1ccccc1-c1nc(C2CCN(c3ccc(C(F)(F)F)c(C#N)c3)CC2)no1 302729435 RBWKZMWXUZBGCJ-UHFFFAOYSA-N 428.414 5.020 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(OC[C@@H]2CCCO2)c1 302946846 CVOMPGVMPGEWLC-DEOSSOPVSA-N 428.488 5.469 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N(CCc3ccccn3)Cc3cccnc3)c2)cc1 432062896 RDHVDHYTQQVNFH-UHFFFAOYSA-N 449.514 5.417 30 20 IKED C[C@H](NC(=O)NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(-c2cccc(C#N)c2)cc1 436350229 UIXIYOHOOAAYPJ-YROCYRMSSA-N 445.485 5.069 30 20 IKED CCC[C@@H](CCCS(C)(=O)=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 436426681 XVVGCXHXIXQVLV-KRWDZBQOSA-N 448.972 5.184 30 20 IKED C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCN1Cc1ccccc1 438229216 VHBYJJGPBDNVJR-NRFANRHFSA-N 440.547 5.479 30 20 IKED Cc1ccc(C#N)cc1NC(=O)C(=O)Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1 441662973 DODASXQOVLKJSX-UHFFFAOYSA-N 439.393 5.255 30 20 IKED COc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)cc1OC 460329459 LISGOLKVCZZOJG-UHFFFAOYSA-N 434.923 5.395 30 20 IKED C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 460952748 QVWBSRJJDGUAAU-UGKGYDQZSA-N 434.588 5.020 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1Sc1ncnc2cc(F)c(F)cc12 461463401 JTXTZUBFQPWLOY-UHFFFAOYSA-N 445.882 5.069 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(N=c3cc[nH]cc3)cc2)cc1 467286155 PXUXBNZCAFQTTJ-UHFFFAOYSA-N 434.499 5.144 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)Cc3csc4ccc(Cl)cc34)ccc21 469950970 SRHCFQCRHQIXJP-UHFFFAOYSA-N 437.952 5.319 30 20 IKED Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)Nc1ccn(CCC#N)n1 470417228 GBBJJKXPTJFWCN-UHFFFAOYSA-N 445.502 5.486 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F 473782508 BHPHAPWQMLOOMB-ICSRJNTNSA-N 439.441 5.195 30 20 IKED CC(C)n1ncc2c1C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)CC2 480118862 MVTMWMWRURWSOW-RBBKRZOGSA-N 447.970 5.452 30 20 IKED CCn1cnnc1-c1ccccc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 480700887 RQWTYWNHQDZILK-UHFFFAOYSA-N 425.517 5.240 30 20 IKED C[C@@H](Sc1nnc(Cc2ccccc2)n1C1CCCCC1)C(=O)Nc1ccccc1C#N 481340460 MKVXGZNBMGRNIO-GOSISDBHSA-N 445.592 5.365 30 20 IKED C=CCn1c(SCc2nnc(-c3cccc(Cl)c3)o2)nnc1-c1cccc(Cl)c1 481367648 FFIWUGUZRLSJCQ-UHFFFAOYSA-N 444.347 5.780 30 20 IKED Cc1cc(N2CCSCC2)ccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 483633939 KQKIYKDUOYFNGK-UHFFFAOYSA-N 429.545 5.465 30 20 IKED Cc1nc(NC(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)sc1SCC#N 483834317 KGYWNLVGLYHJQN-UHFFFAOYSA-N 431.974 5.282 30 20 IKED C=C(C)COc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)c1 484263094 CWFAJMYRQHNUCW-UHFFFAOYSA-N 426.567 5.027 30 20 IKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc(C#N)s1 486697567 GVUCGYRNCBQJEX-UHFFFAOYSA-N 429.423 5.452 30 20 IKED C=CCN(C(=O)CCc1cncc(F)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 487735552 CMTOHFHOIIPWFW-UHFFFAOYSA-N 436.339 5.803 30 20 IKED C[C@@H]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)CC1(F)F 496328545 MYMAUCFXOXOJSP-LLVKDONJSA-N 444.429 5.133 30 20 IKED N#C[C@H](NC(=O)CCOc1ccccc1-c1ccccc1)c1ccc(Br)cc1 499413375 TZZWAESLJQTYOF-NRFANRHFSA-N 435.321 5.266 30 20 IKED N#C[C@H](NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1ccccc1Cl 499932543 TVPLKWKLMTWFIT-NRFANRHFSA-N 432.936 5.503 30 20 IKED C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C1 500372778 WQJYYDZBSJTMBH-MWRLGJARSA-N 438.955 5.406 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2ccccc2C(F)(F)F)cc1C 500991944 WBGIZYALVTYTSP-QGZVFWFLSA-N 440.469 5.590 30 20 IKED C=CCCc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 505001008 NBQPSENSFVNEIK-DEOSSOPVSA-N 434.561 5.120 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)CC2)c(F)c1 505108660 LPXFLYOJLPCXHV-VWLOTQADSA-N 439.534 5.088 30 20 IKED N#C[C@H](NC(=O)CCSc1ccc2c(c1)OCCCO2)c1cccc(Cl)c1Cl 505321131 QTUNUJNQLYJWDN-INIZCTEOSA-N 437.348 5.018 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)cc1 505534273 RVKSKDKSAXGQSM-UHFFFAOYSA-N 448.347 5.822 30 20 IKED O=C(CSc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1OCC(F)(F)F 505563045 ZQRNSVNUWBMXCQ-UHFFFAOYSA-N 427.341 5.516 30 20 IKED N#C[C@@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc(Cl)c(Cl)c1 505980546 BUIYJDRPPBZWKB-QGZVFWFLSA-N 436.245 5.240 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ncccc2F)n1)c1nc(-c2c(F)cccc2F)cs1 509894115 MXIRMBGFQPTTMM-SNVBAGLBSA-N 442.447 5.236 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 510858021 SXJYJRRMMMAPTH-XMMPIXPASA-N 431.467 5.404 30 20 IKED CCN(C(=O)Cc1ccc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1)c1ccccc1 511045754 FIERVXMCMOOKRB-IBGZPJMESA-N 426.520 5.037 30 20 IKED N#C[C@H](C(=O)c1cccc(COc2cccc(F)c2)c1)c1nc(-c2ccccc2)cs1 512947220 HDKQZPKEKYZCSI-JOCHJYFZSA-N 428.488 6.018 30 20 IKED Cc1ccc2nc([C@H]3CCCN3C(=O)c3cccc(COc4ccccc4C#N)c3)[nH]c2c1 513239206 VQSQDXKWFGMHNG-XMMPIXPASA-N 436.515 5.299 30 20 IKED CC1=NN(c2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cc2)CC1 514575003 UIMKWLQVTJDKGK-QHCPKHFHSA-N 428.923 5.834 30 20 IKED CCSCc1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 515600023 CUCULYZQTDIEKV-UHFFFAOYSA-N 426.592 5.207 30 20 IKED C[C@H](NC(=O)NCc1ccc(F)cc1C(F)(F)F)c1ccc(OCC(F)(F)F)cc1 516326050 CMSBXUJLQBKVSO-NSHDSACASA-N 438.343 5.346 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(C)nc3-c3ccccc3)n2)cc1 516714279 ZEJXZSLLAPCEJC-SFHVURJKSA-N 431.542 5.741 30 20 IKED C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)CC1 517342003 YIKCBHPUPYKIJX-INIZCTEOSA-N 433.021 5.173 30 20 IKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nc(C(C)(C)C)cs1 517365312 SKFUSPQGYJCIQT-INIZCTEOSA-N 435.618 6.096 30 20 IKED C=CCN(C(=O)[C@@H]1C[C@H]1c1cc2c(cc1OCC)C[C@H](C)O2)c1nc2c(s1)CCCC2 517399500 GVSRBMDERITSFT-VDZJLULYSA-N 438.593 5.067 30 20 IKED Cc1cc(CSc2ncccc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)no1 519029213 ALYSAJRGNRZGMR-UHFFFAOYSA-N 442.500 5.587 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccccc2)c1C1CC1)c1nc(-c2c(F)cccc2F)cs1 520432246 VGRDQGRVJMCLCB-INIZCTEOSA-N 446.482 5.641 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC3(c4ccc(Cl)cc4)CCOCC3)cc2)c1 520939260 OVJKCAADTHFQIN-UHFFFAOYSA-N 447.922 5.831 30 20 IKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 521822886 BBIONCNTLLEDFH-CQSZACIVSA-N 444.482 5.849 30 20 IKED CC(C)n1c(S[C@H](C(N)=O)c2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1Cl 522333385 UFGIFONYORVSMW-KRWDZBQOSA-N 446.363 5.023 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(c3ccccc3F)CC2)cc1C 522933513 MUETWLMLYXKUSG-UHFFFAOYSA-N 430.527 5.240 30 20 IKED COCc1cccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 524437655 VXHCJXOKTNGQAS-UHFFFAOYSA-N 435.911 5.259 30 20 IKED Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)cc1Oc1ccncc1 530877677 OBYFUKSOUOBGGL-IBGZPJMESA-N 427.382 5.076 30 20 IKED COc1cc(CN(C)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)ccc1SC 537009086 BLZDKTRPEKORQE-UHFFFAOYSA-N 431.561 5.297 30 20 IKED COc1ccc2nc(C)cc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2c1 538766907 MPZHUBKZWPJEBZ-INIZCTEOSA-N 435.455 5.444 30 20 IKED CCN(CC)C(=O)Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1 540874507 QUSDBYMXKJKERX-UHFFFAOYSA-N 427.504 5.014 30 20 IKED Fc1ccc(-c2cnc(CN[C@@H](c3ccc(OC(F)(F)F)cc3)C(F)(F)F)o2)cc1 542947373 DYNGMZFHINAIGP-KRWDZBQOSA-N 434.311 5.773 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCO[C@@H](c4ccc(F)cc4)C3)cc2)cc1 543564910 WBAZCUQGUPREDW-ZJSXRUAMSA-N 431.467 5.531 30 20 IKED CCOc1cc(Cc2noc([C@@H](C)Oc3ccccc3C#N)n2)ccc1OCC(F)(F)F 546360802 ACHXXFSFVUNEJC-CQSZACIVSA-N 447.413 5.012 30 20 IKED C=C(C)[C@@H](NC(=O)N(C)Cc1ccc(OC(F)F)c(OC)c1)c1ccc(F)c(F)c1 547482373 VXLMNEUGUJATBF-LJQANCHMSA-N 426.410 5.034 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CNC1(c2cccc(C(F)(F)F)c2)CC1 553357370 PLESBNCQNYNMPP-HNNXBMFYSA-N 433.499 5.175 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@@H](c1ccccc1)c1ncc[nH]1 557591001 RXDWIRGXTPQFIQ-IBGZPJMESA-N 442.332 5.048 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 559268077 ROFZURYVIFANQF-UHFFFAOYSA-N 449.942 5.124 30 20 IKED CN(Cc1ccccc1NCc1ccc(Br)cc1C#N)C(=O)c1cccs1 561850385 GWDVRQRBFJYETN-UHFFFAOYSA-N 440.366 5.267 30 20 IKED Cc1ccc(SCC(F)(F)F)c(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 567397457 CYPJDUKGJZQYGI-UHFFFAOYSA-N 449.498 5.596 30 20 IKED N#CCCn1cc(CN(Cc2c(Cl)cccc2Cl)C2CC2)c(-c2ccncc2)n1 569858058 YLAXUFOAFQEDOQ-UHFFFAOYSA-N 426.351 5.330 30 20 IKED C=CCOc1ccccc1-c1nc(C2(c3cccc(Br)c3)CCOCC2)no1 572443301 BPLDXMSJFMWPTH-UHFFFAOYSA-N 441.325 5.160 30 20 IKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(N4CCCC4=O)ccc3F)c2C#N)C1 579900605 NRDYTUWEOGXGPQ-AWEZNQCLSA-N 439.556 5.289 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(OCC2CCCC2)CC1 580318734 DOGFDBYGMJUZAL-LJQANCHMSA-N 442.579 5.309 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC=C(c3ccccc3F)C2)cc1 583773239 OYTXCGWHSFQMJG-UHFFFAOYSA-N 427.479 5.402 30 20 IKED Cc1ccccc1-c1cc(C(=O)Nc2sc(C)c(C)c2C#N)c2cnn(C(C)C)c2n1 590613320 KGODLMGRBWYHNJ-UHFFFAOYSA-N 429.549 5.790 30 20 IKED N#C[C@H](C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1nc2cc(F)ccc2s1 592974077 NANYYWQVVCPULX-GOSISDBHSA-N 430.464 5.569 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CSc1ccc([N+](=O)[O-])cc1 603532699 LILWIYONOZLADL-UHFFFAOYSA-N 435.480 5.240 30 20 IKED Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603623513 XXRKLUKSLCRYSC-UHFFFAOYSA-N 426.501 5.354 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1 603756491 WBRLIFNOZNTQGX-LJQANCHMSA-N 429.520 5.892 30 20 IKED N#C[C@@H](C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc(-c2ccc(Cl)cc2)cs1 603836578 JBHYECNZTSSHPN-HNNXBMFYSA-N 439.905 6.076 30 20 IKED N#CCCCOc1cccc(NC(=O)COc2ccc3ccccc3c2Br)c1 603972381 YYDJNLHKIGTBCL-UHFFFAOYSA-N 439.309 5.302 30 20 IKED Cc1oc(-c2ccsc2)nc1CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 608870237 FFJUGBHVZKQWGX-UHFFFAOYSA-N 443.528 5.538 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2c[nH]c3cc(Cl)ccc23)cc1 609020122 KLVALBBOJAPLML-UHFFFAOYSA-N 429.907 5.648 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 609078351 KCWKFTXPTFIWCH-VWLOTQADSA-N 445.950 6.468 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)N(Cc1ccc(C#N)cc1)C(C)C 609213316 CAMGWJSCQVABFV-QGZVFWFLSA-N 436.556 5.811 30 20 IKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1nc(C(C)(C)C)cs1 609296652 WRLJHXMDDGTJDP-KRWDZBQOSA-N 448.592 5.968 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccn(-c2cccc(F)c2)n1 609378350 DHIWPYNCMUXIMF-UHFFFAOYSA-N 434.418 5.288 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(Cl)c2c(c1)OCCO2 609388022 BZZFKZKWLHQIOW-AWEZNQCLSA-N 448.997 5.235 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1cccc2ccccc12 609438758 SDMGGBVPCHKUDK-MBSDFSHPSA-N 443.572 5.536 30 20 IKED COc1cc(CSc2nnc(-c3sccc3C)o2)ccc1OCc1cccc(C#N)c1 609722320 LTFIDWFRLXDUBR-UHFFFAOYSA-N 449.557 5.858 30 20 IKED C[C@@H](c1nc2ccccc2s1)N1CCN(c2c(C#N)cnc3ccc(Cl)cc23)CC1 610245164 BKVAMVWRJRXMSS-HNNXBMFYSA-N 433.968 5.253 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cc(F)c(F)cc3Br)cn2)c1 610999900 QXGOMVQJUXUONS-UHFFFAOYSA-N 430.208 5.039 30 20 IKED CCOC(=O)c1sc(NC(=O)c2cc(-c3ccccn3)ccc2Cl)c(C#N)c1C 611111134 OSCBOMOAOLTHPS-UHFFFAOYSA-N 425.897 5.073 30 20 IKED C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cccc(NC(=O)Cc2ccccc2F)c1 611390711 QEBSIXIZMDPXAX-DWXRJYCRSA-N 427.523 5.607 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)nc2ccccc2c1=O 611636917 GIVIASWRPFZBSY-ROUUACIJSA-N 443.572 5.094 30 20 IKED CC(=O)c1cccc(NC(=O)[C@H](Sc2nc(C)cc(C(F)(F)F)c2C#N)C(C)C)c1 639432451 ZPRZVHIEGGXQIG-GOSISDBHSA-N 435.471 5.239 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1F 674305264 MNADNEJEKHENMB-HTQZYQBOSA-N 425.266 5.484 30 20 IKED O=C(Nc1ccccc1SCC(F)(F)F)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674555035 XNWFPPYRQZYTSS-IUCAKERBSA-N 440.331 5.546 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N2CCc3c2cccc3C(F)(F)F)c1C(F)F 680561457 HZGPJDPFFQVFCH-UHFFFAOYSA-N 427.295 5.081 30 20 IKED O=C(N1CCC(F)(F)CC1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 684519214 CUOATJBSZQMUAO-SYHMHZHXSA-N 433.383 5.366 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(F)cc2F)[n+]2ccc3c(c2)CCCC3)c1 726572800 PCCWHUJBGBMVNU-UHFFFAOYSA-O 447.530 5.436 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)cc1 726940881 XTDLKNPWDCKAFZ-UHFFFAOYSA-N 441.535 5.758 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl 727223884 AKJPTOOYPGFFGS-SFHVURJKSA-N 448.419 6.287 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)OCc3ccc(C#N)cc3F)c2)cc1 727555733 KOSUSNFJBKFBMF-UHFFFAOYSA-N 431.463 5.155 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@H]2c2ccccc2OC)c1=S 727828932 DMJYEPCMLRZLJX-HXUWFJFHSA-N 436.581 5.079 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H](O)c3ccccc3C(F)(F)F)cc2)cc1 728739918 IGYFHWUCIWWPBO-NRFANRHFSA-N 441.409 5.224 30 20 IKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1cccc2ccccc12 730583497 HUDPHWWHPUYZIB-UHFFFAOYSA-N 429.332 5.488 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1Oc1ccccc1 731070690 JYVLVAXYJZSTKF-SFHVURJKSA-N 446.528 5.526 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1sc2cc(C(C)C)ccc2c1Cl 732708918 UUMGYBAVGDGQEK-INIZCTEOSA-N 440.952 6.038 30 20 IKED N#C[C@@H](C(=O)c1cc(Cl)nc(N2CCCC2)c1)c1nc(-c2c(F)cccc2F)cs1 733051518 HACVDHLTQDKARG-ZDUSSCGKSA-N 444.894 5.227 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)c1 733801536 RPEQKOKWYRGQPN-PZJWPPBQSA-N 433.474 5.583 30 20 IKED C#CCOc1ccccc1CNCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 734159687 VVSYQANIXZYMBF-UHFFFAOYSA-N 439.342 5.548 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N[C@H](c3ccccc3)C3CCOCC3)c2)cc1 734350042 APAQVHQJFNOPNK-AREMUKBSSA-N 426.516 5.035 30 20 IKED C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 739159198 IAELBXCUFYQKMR-AUUYWEPGSA-N 439.462 5.756 30 20 IKED Cc1cc(Br)c(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)s1 742029064 XPEMNRLUYVYBRK-QGZVFWFLSA-N 447.379 5.275 30 20 IKED CC(C)(C)c1ncc(/C=C/C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)s1 742551435 OWTOPTWMDHHBFK-VAWYXSNFSA-N 431.561 5.738 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)C1CCC(c2ccccc2)CC1 744027094 IFZGOJLKHLMUFH-UHYCVJNDSA-N 428.504 5.623 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC[C@@H](C)c2cccc(C(F)(F)F)c2)c1 746416852 AGXNTFCNSSUEKE-UZLBHIALSA-N 433.474 5.379 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)cc1OC 748287837 IBLLUZXFXJEUJS-OQLLNIDSSA-N 449.551 5.320 30 20 IKED CCCNc1ccc(C#N)cc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl 748324901 DXRNUXKSHNQWPD-UHFFFAOYSA-N 428.920 5.633 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1 752678701 ORRGLEWRTSHKBK-WIYYLYMNSA-N 435.549 5.299 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2ccccc2NC(=O)OC(C)(C)C)cc1 756516040 PIUNZBHZTVSMNP-LAUBAEHRSA-N 449.551 5.437 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C2CC(F)(F)C2)c(C)c1 757885845 MHXMTWLFUIYGOC-IBGZPJMESA-N 443.519 5.061 30 20 IKED COc1ccc(C(=O)CC(C)(C)CC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1 760194487 CUNIKDCXNSTVJG-KRWDZBQOSA-N 439.462 5.306 30 20 IKED CC(C)[C@@H](NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)c1cccc(C(F)(F)F)c1 761681327 SKKUQTVKSKCPRL-LEWJYISDSA-N 431.458 5.057 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1sc(-c2ccccc2)nc1C(F)F 762023760 HBFIDETXBOEVGH-CQSZACIVSA-N 441.459 5.108 30 20 IKED Cc1ccccc1NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1ccc(C(C)(C)C)cc1 762437283 HAHACUTXCMGURS-UHFFFAOYSA-O 428.581 5.775 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN(C)Cc2ccc3cc(OC)ccc3c2)c1=S 764860533 LAEGUYNMFIJATQ-UHFFFAOYSA-N 445.592 5.303 30 20 IKED C=CC[C@H]1N(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCCC1(C)C 767229770 UCBKKMPNPSVHBH-WBWKYDSYSA-N 448.679 5.323 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(N4CCc5sccc5C4)cc3)CC2)cc1 767856782 BHRRMGXNVLFVOG-UHFFFAOYSA-N 440.572 5.504 30 20 IKED CC[C@H](C#N)Oc1cc(CNCc2nc3ccc(Br)cc3s2)ccc1OC 774992613 QOBCVSSJWNRDFV-OAHLLOKOSA-N 446.370 5.038 30 20 IKED CC(=O)N1C/C(=C/c2cc(Br)cc(C(F)(F)F)c2)C(=O)c2ccccc2C1 778519054 DGZJVLOZCNQFPS-UUASQNMZSA-N 438.243 5.096 30 20 IKED Cc1cc(C2CCN(C(=O)Nc3cccc(OCC#N)c3)CC2)ccc1Br 779403098 JXJMUWMLKZAQNK-UHFFFAOYSA-N 428.330 5.071 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1cccnc1Oc1cccc(Br)c1 780167202 OMXHFANBSAKHMG-AWEZNQCLSA-N 438.281 5.180 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)cc1 781447180 DTNJASZPXNKTBW-QGZVFWFLSA-N 442.393 5.369 30 20 IKED CC[C@H](C#N)Oc1cc(CNC2CCC(O)(c3ccc(C(C)C)cc3)CC2)ccc1OC 781903653 BQZWFVFGDODSPD-BPLQSXGDSA-N 436.596 5.420 30 20 IKED Cc1cccc2cc(C=Nn3c(S)nnc3CSc3ccccc3)c(Cl)nc12 782244241 GBELKPSDGQMJKI-UHFFFAOYSA-N 425.970 5.251 30 20 IKED C[C@@H](NC(=O)N1CCC([C@H](O)c2ccccc2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 782755176 NYNZKUWHSAKCEE-NFQMXDRXSA-N 439.559 5.441 30 20 IKED COC(=O)Nc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1F 783084129 DZCAVLOUIZPBKF-UHFFFAOYSA-N 439.830 5.574 30 20 IKED C=CC[C@@]1(C(=O)Nc2cccc(NC(=O)CCC)c2C)CCCN1C(=O)OC(C)(C)C 790504479 UCANJPGFZNYVEF-DEOSSOPVSA-N 429.561 5.018 30 20 IKED CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)[C@@H](C#N)c1cnc2ccccc2n1)OCC3 792110052 KODOZWKKXCSBGY-DCFHFQCYSA-N 438.531 5.118 30 20 IKED Cc1nc(SC(F)F)sc1CC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F 793810828 ZLMFIGSNRROGMG-LBPRGKRZSA-N 432.386 5.007 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 796633175 YOISRPMAJUTPLC-MRXNPFEDSA-N 445.878 5.096 30 20 IKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)sc2ccc(C#N)cc12 796749970 WQKBEERUYLORLV-MRXNPFEDSA-N 441.484 5.357 30 20 IKED Cc1ccccc1[C@@H](O)C1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 804519401 CNFCSMUFRJJWMX-MHZLTWQESA-N 440.543 5.032 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)s1 810549910 RDLFQUJPMYMHKV-AWEZNQCLSA-N 440.550 5.128 30 20 IKED CC(C)(C)OC(=O)N[C@H](CCCCC#N)c1nc(-c2ccc(C(F)(F)F)s2)no1 904964378 KJEZCKKLGPLHEU-LLVKDONJSA-N 430.452 5.467 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915644638 HQKFBCOUHMWZKT-HSZRJFAPSA-N 425.488 5.020 30 20 IKED Cc1ccc(C(C)C)c(Oc2ccc(C=Nn3cnc4ccccc4c3=O)cc2[N+](=O)[O-])c1 916368923 VMGKFZPWUPBGST-UHFFFAOYSA-N 442.475 5.411 30 20 IKED CCCCOc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916904706 IAXUROKNZBWANL-JOCHJYFZSA-N 428.488 5.619 30 20 IKED CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916909770 QYXSCYXVVSJRTQ-OAQYLSRUSA-N 441.487 5.035 30 20 IKED CCCCOc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1OCC 916918154 MYKFUMVCGAIJLX-OAQYLSRUSA-N 430.504 5.379 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl 916922880 JHYIWYGGNZNXKZ-XMELGKRDSA-N 436.817 5.118 30 20 IKED Cc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc3c(c2)CCCC3)cc1C 917612931 ICFPXMNPMFQBBK-UHFFFAOYSA-O 440.592 5.665 30 20 IKED CCC(=O)N1CCc2cc(C3=NNC(=Nc4ccc(Cl)c(Cl)c4)SC3)ccc21 917626642 UZZLNFBXRMPXPI-UHFFFAOYSA-N 433.364 5.021 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)C4(c5ccc(OC)cc5)CCC4)CCC3)cc2)C1 1785808076 LLRJXGIMUXDDQO-UHFFFAOYSA-N 444.575 5.217 30 20 IKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)[C@@H](F)c4ccccc4)cc3)CCC2)c1 1786612412 CVDKVFARHAHPDT-QHCPKHFHSA-N 445.469 5.156 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc4cccc(C)c4[nH]3)CCC2)cc1 1786678865 DOKKXGBYBYUIIY-UHFFFAOYSA-N 433.577 5.143 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(OC)c3)cc2)CCC1 1790072973 FJWYGTNZYQEIJT-DEOSSOPVSA-N 443.547 5.083 30 20 IKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@]4(F)CCCC=C4F)CCC3)cc2)c1 1790795514 LJALMBZWMGESLB-SANMLTNESA-N 449.501 5.360 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3c(-c4ccccc4)noc3C)CCC2)cc1 1791582351 OCELWIKJXFYIES-UHFFFAOYSA-N 441.531 5.201 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1ccc(C)c3ccccc13)C2 1798338741 HHCAGGHZJFNYTG-NDBXHCKUSA-N 444.619 5.487 30 20 IKED CCCCc1ccc(-c2ccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)CCC#N)C4)cc2)cc1 1800315891 ZRJYZVKDVDSCSK-OOSCYNTBSA-N 443.591 5.252 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc4sc(C)cc4[nH]3)CC2)C1 1804866494 AEMGQMCZNAKCIE-UHFFFAOYSA-N 441.641 5.375 30 20 IKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sc3ccccc3c2Cl)n[nH]1 1818607185 RLJSHEMPBRJNCE-HNNXBMFYSA-N 428.945 5.160 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)c2cccs2)[nH]n1 1819309542 CWGHFICUXMVXSZ-SCTDSRPQSA-N 426.586 5.035 30 20 IKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](c2ccccc2)C(C)C)CC1 1824242443 LUJTYIFZWFMVSP-VPUSJEBWSA-N 436.640 5.240 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CSc2c(C)cccc2C)CC1 1829099708 KFEKHGDSGMLWGW-FYYLOGMGSA-N 442.669 5.227 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C3CC3)cc2)CC1 1830748689 CSBKQQIUELHRMA-CLJLJLNGSA-N 434.624 5.566 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3ccoc3c2)CC1 1830909029 RXGWNOHFYQNKRT-BJKOFHAPSA-N 434.580 5.435 30 20 IKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](CCC)CC2)CC1 1831561664 OJFSGIDUEBYEFY-PMVMPFDFSA-N 434.690 5.132 30 20 IKED CC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)CC1 1831695584 CUWFYZBKMYQNIT-MZBJOSPHSA-N 449.639 5.202 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CSc2nc(C)nc3sc(C)c(C)c23)cc1 9788701 WTVMEFNHDSKMPZ-UHFFFAOYSA-N 440.594 5.054 30 20 IKED Cc1ccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(C(C)(C)C)cc2)cc1 10173284 OUJZANBQOCGGHA-UHFFFAOYSA-O 445.652 6.754 30 20 IKED O=C(/C(=C(/S)Nc1ccc(Cl)cc1Cl)[n+]1ccccc1)c1ccc(F)cc1F 10836749 OFUPOZJHPJBGSX-UHFFFAOYSA-O 438.306 5.610 30 20 IKED N#CCc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)cc1 26384289 COSQEGQWKAQVIU-UHFFFAOYSA-N 426.907 5.570 30 20 IKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(C)Cc3ccc(C#N)cc3)cc12 32614462 IWBCTHUTVDYQOL-UHFFFAOYSA-N 434.952 5.252 30 20 IKED COc1cc(/C=C2\CCc3nc(-c4ccccc4)sc3C2=O)cc(Br)c1O 72049563 CZGBMAHLDMIOIR-NTEUORMPSA-N 442.334 5.499 30 20 IKED CC(C)NC(=O)Nc1ccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 108738925 GDHTUSFQZQXSPH-UHFFFAOYSA-N 444.510 5.070 30 20 IKED C=CCOc1c(Br)cc(CNC(C)(C)c2nc(C)cs2)cc1OCC 236910966 DFPNOVYMQSELTA-UHFFFAOYSA-N 425.392 5.202 30 20 IKED C[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1nc(-c2cccc(F)c2)no1 237457260 WFXYWZFEPSNBEM-QGZVFWFLSA-N 428.467 5.177 30 20 IKED Cc1ccc(C[C@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 303572295 JEPJSUSZJPCVJM-AREMUKBSSA-N 439.559 5.879 30 20 IKED N#CCCCOc1cccc(NC(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)c1 409841966 XMISABMKGCAIQF-QHCPKHFHSA-N 438.886 5.920 30 20 IKED COc1ccc(Br)c(CN(C)C(=O)Nc2ccccc2SC[C@H](C)C#N)c1 429740273 SUJRZAJBJCZURZ-CQSZACIVSA-N 448.386 5.373 30 20 IKED N#CC(CCSc1nncn1CCc1cccs1)(c1ccccc1)c1ccccc1 434645425 ZFHAJQDBJJFSKE-UHFFFAOYSA-N 430.602 5.574 30 20 IKED Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 435773578 WAQXNVJDHGLYCF-CYBMUJFWSA-N 440.208 5.861 30 20 IKED N#CCCCn1cc(-c2nc(-c3cccc(OCc4cccnc4)c3)no2)c2ccccc21 436106086 DAKBNQCKJGBDML-UHFFFAOYSA-N 435.487 5.636 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 437685548 GYIDQGJBXSWABV-RPWUZVMVSA-N 439.519 5.634 30 20 IKED C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@@H](c2ccc(F)cc2)O1 438048372 HIQPGPNZAVGXKN-XDHUDOTRSA-N 431.467 5.484 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2C#N)c(F)c1 439670260 HYSRGRPGSDEJOA-GOSISDBHSA-N 431.511 6.361 30 20 IKED CCCc1c(NC(=O)Nc2ccc3nc(C4CC4)oc3c2)cnn1-c1cccc(C#N)c1 439687258 LMMBLQGAXHYICD-UHFFFAOYSA-N 426.480 5.359 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 447716145 RSROHCXVIUYASF-UHFFFAOYSA-N 442.490 5.011 30 20 IKED Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@@H](C)CO1 460400892 BKRSIOPYLUTPIM-BVZFJXPGSA-N 430.479 5.400 30 20 IKED N#CCCN(C(=O)C[C@H](Cc1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2 460885072 RPHLTQUUSXNPOZ-QHCPKHFHSA-N 426.516 5.121 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(-c2noc(C3CC3)n2)c1 463142229 PGTNBEIWKGPELR-UHFFFAOYSA-N 436.471 5.839 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)n1 467821011 AOUACEXZNIKGMK-OAHLLOKOSA-N 429.910 5.654 30 20 IKED C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F 467995349 PMCSAVSOVXSGKW-FXAINCCUSA-N 438.290 5.171 30 20 IKED CCCCOc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c(Cl)c1 469955239 BUHRDYVCVUPSFK-UHFFFAOYSA-N 439.943 5.354 30 20 IKED CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)C[C@@H](CC#N)c1ccccc1 474288948 ZYHBMRHZDDQSKG-OAQYLSRUSA-N 440.572 5.647 30 20 IKED Cc1cc(Sc2ccccc2)ccc1NC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 475245653 KQEXNGUFZNTDML-DEOSSOPVSA-N 441.556 5.148 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCc1csc(CNC(=O)c2ccccc2)n1 475574842 XYJLOBUKMGKDPI-UHFFFAOYSA-N 448.592 5.247 30 20 IKED C=CCn1c(SCc2csc([C@H](C)OC)n2)nc2sc3c(c2c1=O)CC[C@H](C)C3 476509081 BWXMQFYRYKABRO-STQMWFEESA-N 447.651 5.225 30 20 IKED CC(C)N(Cc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1)C[C@@H]1CCCCO1 476557747 CRWNFAPLHLSQSH-RSXGOPAZSA-N 433.596 5.492 30 20 IKED CCc1c(NC(=O)C[C@@H](CC#N)c2ccccc2)cnn1-c1cccc(C(F)(F)F)c1 477013964 VBANLCJLVGBYKS-QGZVFWFLSA-N 426.442 5.480 30 20 IKED CC(=O)c1cccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 480489849 DRPUBGFKMKVWIB-UHFFFAOYSA-N 429.423 5.079 30 20 IKED C[C@@H](NC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 482082396 PCGAUKOBZPRJBP-WGURPXDASA-N 425.532 5.363 30 20 IKED O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)c1cnn(-c2ccccc2F)c1C(F)(F)F 482226731 OYIYMRKSFINUFF-WCQYABFASA-N 437.359 5.129 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ncccc2OCC(F)F)cc1Cl 482810265 DVDXBOVKIWJYHA-QGZVFWFLSA-N 427.838 5.287 30 20 IKED C[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1ccc(NC(=O)c2ccncc2)cc1 486800956 ZWFUMJIGDSCADG-IBGZPJMESA-N 446.510 5.364 30 20 IKED CCNC(=O)Nc1ccc(C)c(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1 487702268 AJKHELRLPANBDP-UHFFFAOYSA-N 430.533 5.412 30 20 IKED N#C[C@@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1Cl 499948959 WWDHNVUJWRXGGZ-HSZRJFAPSA-N 444.897 5.255 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 501638250 LQCUPRKNTRKWGR-UHFFFAOYSA-N 437.524 6.494 30 20 IKED COc1cccc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)c1OC1CCCC1 503226058 NTSDRJBLCSNXBN-QGZVFWFLSA-N 439.581 5.590 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 504934903 KTQPPSBQUFNFBF-VJTSUQJLSA-N 444.966 5.500 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](c1ccccc1)[C@H]1CCCc2ccccc21 505490841 IDJTVPIKAODGGZ-XCZPVHLTSA-N 440.591 5.324 30 20 IKED N#C[C@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1c(Cl)cccc1Cl 505546539 HGLUMQOUSSWITJ-INIZCTEOSA-N 434.710 5.615 30 20 IKED N#C[C@@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1ccccc1Cl 505631234 HPTWGVGMLKNTEK-MRXNPFEDSA-N 439.224 5.193 30 20 IKED N#C[C@H](NC(=O)CCc1nc2cc(Br)ccc2s1)c1ccc(Cl)cc1 505816113 UAUUVQHVYJQCCS-HNNXBMFYSA-N 434.746 5.026 30 20 IKED C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F 506623602 KVHNTJUDYLFVKT-NSHDSACASA-N 434.892 5.411 30 20 IKED Cc1ccc(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c([N+](=O)[O-])c1 509646522 MQYWBHBYBHMVQH-SFHVURJKSA-N 441.896 5.013 30 20 IKED COc1ccc(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 510006797 UMCJFRUEJPUTCP-OAQYLSRUSA-N 449.938 5.377 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 510869775 WPJVCGSSJXMVOB-UHFFFAOYSA-N 444.510 5.071 30 20 IKED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 511007243 BFXBSRJVJRSLTN-UHFFFAOYSA-N 433.939 5.837 30 20 IKED Cc1ccccc1-c1cc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)c2cnn(C(C)C)c2n1 513677346 VGCMYACSFVJRTA-IBGZPJMESA-N 434.503 5.354 30 20 IKED C=CCN(CC=C)C(=O)[C@H](C)Sc1nnc(-c2ccccc2Cl)n1C1CCCC1 514361373 GCKVQOKTTXOGKG-INIZCTEOSA-N 431.005 5.395 30 20 IKED COc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cs2)cc1 515540296 YWHKSSKRKSNQGG-CQSZACIVSA-N 425.922 5.572 30 20 IKED Cc1ccccc1COc1ccccc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 515540463 UORDCNJDLWIHLO-LJQANCHMSA-N 431.442 5.809 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CSCC(=O)c2ccccc2)cc1Cl 520514556 OBFOCTIIECWKMN-NRFANRHFSA-N 434.948 5.550 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ncc(Cc2cccc(F)c2)s1 521091837 MJXFMLSREYKLKP-UHFFFAOYSA-N 426.473 5.001 30 20 IKED Cc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1NC(=O)C(C)(C)C 521122078 WTVAZZJGCVKRPF-UHFFFAOYSA-N 445.494 6.035 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H]2CCO[C@H]2c2ccccc2)cc1 521322888 PKJOTUYTZJJQBO-RDGATRHJSA-N 428.557 5.358 30 20 IKED CCn1ncc2c(C(=O)Nc3ccccc3SCCC#N)cc(-c3ccccc3)nc21 521716984 PGPPDNCJJDWYCP-UHFFFAOYSA-N 427.533 5.376 30 20 IKED CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 522242281 DUBDVVOXUWFOPN-LQBOVUBWSA-N 437.971 5.219 30 20 IKED COc1cc(C(=O)N(CC#N)C2CCCC2)ccc1OCc1ccc(Cl)cc1Cl 523148063 QTDAAUWJAQNNEQ-UHFFFAOYSA-N 433.335 5.489 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(CSC3CCOCC3)c2)c1 523793605 ORXGQVFVQVGWSU-UHFFFAOYSA-N 448.544 5.395 30 20 IKED N#Cc1c(NC(=O)CCSc2nnc(-c3cccc4ccccc34)o2)sc2c1CCC2 525005102 OOLTVSHSUNQZPS-UHFFFAOYSA-N 446.557 5.433 30 20 IKED CC(C)(C)c1cc(NC(=O)N(CCC#N)Cc2ccco2)n(-c2cccc(Cl)c2)n1 532026841 QYMQTHINRAMKNL-UHFFFAOYSA-N 425.920 5.364 30 20 IKED CC(=O)N(c1nc(CN(CCC#N)CCC(C)C)cs1)c1c(C)cc(C)cc1Cl 534469350 GWYJDVKRVQSQAL-UHFFFAOYSA-N 433.021 5.860 30 20 IKED Cc1c(C[S@@](C)=O)cccc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 534884896 HYCLZYPZLAOCSE-SSEXGKCCSA-N 438.936 5.443 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)sc1Br 535407024 WHQOEANVYGONPD-LBPRGKRZSA-N 444.335 5.004 30 20 IKED COc1ccc(C[C@H](C)CN(C)C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1 536454138 STHDLSBCRUYMOQ-IBGZPJMESA-N 444.579 5.040 30 20 IKED COc1ccc([C@H](OC)[C@H](C)NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 536784875 NANUKPQDRZSGTG-AVRWGWEMSA-N 430.504 5.060 30 20 IKED C=C(C)Cn1c(SCC(=O)N(C)c2c(Cl)cccc2Cl)nnc1-c1ccco1 536788836 DLJBPDXRYBDCMN-UHFFFAOYSA-N 437.352 5.176 30 20 IKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nc4ccccc4o3)cc(-c3cccs3)nc21 538581485 PROHCDGYHXEHAA-OAHLLOKOSA-N 427.489 5.372 30 20 IKED Cc1cccc(CN(Cc2cccc(C)n2)Cc2cn(CCC#N)nc2-c2ccccc2)n1 538790566 KDBKBWNSIBRVRW-UHFFFAOYSA-N 436.563 5.073 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)cc1Cl 539028300 FAEXJLILRWWDAS-QUURXOELSA-N 445.950 5.895 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CCCc2ncc(-c3ccccc3)o2)n1 542070669 YTHAUMRNOUNHNI-UHFFFAOYSA-N 431.883 5.014 30 20 IKED C[C@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1nc(C(C)(C)C)cs1 544484140 SSTSODUBGTXRIK-KGLIPLIRSA-N 430.643 5.320 30 20 IKED N#Cc1ccc(CCC(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1 547988528 DEVDBQIHEYAOMJ-UHFFFAOYSA-N 446.347 5.012 30 20 IKED N#Cc1cc(C(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)cnc1C(F)(F)F 550471690 UHSPUJRZPWUBOL-INIZCTEOSA-N 427.348 5.358 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)c1C 558470121 FXFDTXDAOVBWSG-ZWKOTPCHSA-N 425.319 5.410 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@](F)(c4ccccc4F)C3)c2)cc1 558773330 VTPFXFWRNCTQKV-AREMUKBSSA-N 447.485 5.573 30 20 IKED C[C@@H](NS(=O)(=O)Cc1ccc(C(F)F)cc1)c1ccc(-c2cccc(C#N)c2)cc1 559071457 WPGFSLZMQWUSFG-MRXNPFEDSA-N 426.488 5.343 30 20 IKED Cc1sc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)nc1-c1c(F)cc(F)cc1F 559559635 LMHOULRGHHWORV-UHFFFAOYSA-N 442.344 5.074 30 20 IKED C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 564143065 JZPIOGIBSRINDC-YOEHRIQHSA-N 427.898 5.008 30 20 IKED Cc1nn(-c2ccc(F)cc2F)c(C)c1CNc1ccc(Oc2ccnc(C#N)c2)cc1 565278025 WZEDFRLNGDXIMP-UHFFFAOYSA-N 431.446 5.438 30 20 IKED CC(C)c1oc([C@@H]2CCCN2S(=O)(=O)Cc2ccc(C#N)cc2)nc1-c1ccccc1 570123429 RXVXDLXMAITPTQ-NRFANRHFSA-N 435.549 5.004 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC4(CCC4)[C@H]3[C@@H]3CCCO3)cc2Cl)cc1 573610967 SSTWFKCZWAHSIB-FCHUYYIVSA-N 437.927 5.569 30 20 IKED CCC(C)(C)NC(=O)c1ccc(NCc2ccc(Br)cc2C#N)cc1Cl 573720749 BWGNIDHHLWGDNF-UHFFFAOYSA-N 434.765 5.505 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(OC2CCCC2)CC1 579379558 YGFASFSDHFBNRY-ZEQRLZLVSA-N 436.600 5.027 30 20 IKED Cc1cc(Oc2ccccc2)ccc1NC(=O)C(=O)N[C@@H](CCCC#N)c1ccccc1 590299497 SFZKTBMEOUURER-DEOSSOPVSA-N 427.504 5.277 30 20 IKED Cc1sc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c(C#N)c1C 603444924 DZPMUMWPOBHSOM-HXUWFJFHSA-N 437.952 5.390 30 20 IKED Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)C1 608837991 PCYJTOTVGXHUNH-JOCHJYFZSA-N 439.003 5.214 30 20 IKED CCN(Cc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1)C(C)C 609060699 KQEGYDJMCRGMBG-UHFFFAOYSA-N 441.575 5.928 30 20 IKED CCOc1c(Cl)cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1OC 609064340 PCQBYWCFKSNOST-UHFFFAOYSA-N 436.895 5.450 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H](c1cccc(F)c1)N(C)C 609078613 CQTSZUURYVHZFR-RUZDIDTESA-N 446.526 5.009 30 20 IKED CCC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccn1 609207559 DGHNHIHFZZZYBJ-QFIPXVFZSA-N 434.927 5.849 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 609377458 FZUOFWGPFFTIOG-OAHLLOKOSA-N 425.941 5.818 30 20 IKED COc1ccc(-c2noc(CCCC(=O)Nc3ccccc3S[C@@H](C)CC#N)n2)cc1 609427707 DQPXLZIYAHEVNS-INIZCTEOSA-N 436.537 5.101 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1CCC(c2ccccc2)CC1 609439386 CEENBOFQJALDOE-JSOIOWGOSA-N 435.593 5.110 30 20 IKED CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 609515383 RGMIQXIAMOGZQO-UHFFFAOYSA-N 441.531 5.344 30 20 IKED Cc1cc(OCc2ccccc2)ccc1NC(=O)Nc1ccccc1S[C@H](C)CC#N 609773004 SAELZDZAFNVKKE-LJQANCHMSA-N 431.561 6.612 30 20 IKED N#Cc1cc(Cl)ccc1SCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 610655258 XDEOZVRFKRWQBM-MRXNPFEDSA-N 427.938 5.336 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](Cc4ccncc4)C3)cc2Cl)cc1 611814526 KCZPJTGJTHOYPQ-IBGZPJMESA-N 432.911 5.495 30 20 IKED COc1ccccc1OCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)o1 613392434 QSRWIGKAHILJMS-GOSISDBHSA-N 430.485 5.481 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccc(OC)cc2)(C4)C3)cc1 615000197 BAKKFFWBYPTBDH-CFZCFRQTSA-N 444.575 5.088 30 20 IKED CC[C@H](NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1OC(F)F 618554278 JIVPUNDDGZTOBL-WZRBSPASSA-N 448.354 5.511 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)nnc1-c1ccccc1 662023791 BTGPAERFUUDAQN-RTBURBONSA-N 442.588 5.642 30 20 IKED C=C(C)[C@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)c(F)c1 681330555 ZBKJYMKQNHFFSN-VLXAULBPSA-N 444.366 5.791 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)c1 728125728 LYWHESPDRSCMIZ-INIZCTEOSA-N 425.357 5.547 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)c1C#N 728887042 QGVKOONURKEJBX-UHFFFAOYSA-N 435.530 5.086 30 20 IKED N#CCCN(C(=O)COC(=O)[C@H](Sc1ccccc1F)c1ccccc1)c1ccccc1 730333646 MOANEUPOHYSELU-XMMPIXPASA-N 448.519 5.149 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccsc3NC(=O)c3ccco3)cc2)c1 731476300 XMWGSDRKXVLNCR-UHFFFAOYSA-N 443.484 5.296 30 20 IKED C=CCOc1c(Br)cc(CNCc2ccc(N(C)C)cc2C)cc1OCC 734511519 CCMVYGRGKXPQHG-UHFFFAOYSA-N 433.390 5.077 30 20 IKED Cc1ccc(C[C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2ccccn2)cc1 734683922 KINNCKZADGZARD-IAPPQJPRSA-N 446.554 6.151 30 20 IKED COc1cc(COC(=O)c2ncoc2-c2ccccc2)ccc1OCc1cccc(C#N)c1 735143749 LSGHMBUGTUITOS-UHFFFAOYSA-N 440.455 5.158 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)OCC(=O)c2ccc3c(c2)COC3)c1 735165498 JQXJARKSGSMNHY-UHFFFAOYSA-N 433.847 5.074 30 20 IKED CC(=NN=c1cc(C(F)(F)F)[nH]c(-c2ccncc2)n1)[C@@H]1C[C@H]1c1ccccc1Cl 735976563 OGYRSNHVCAIKNZ-HOTGVXAUSA-N 431.849 5.224 30 20 IKED Cc1oc(-c2ccccc2F)nc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 739153890 ACSCNRNTQSREOU-INIZCTEOSA-N 437.883 6.056 30 20 IKED COCC[C@H](Cc1cccc(Br)c1)C(=O)[C@H](C#N)c1ccc2ccccc2n1 741429895 WMKIHTQKIGRFBW-UYAOXDASSA-N 437.337 5.069 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(NC(=O)CC(C)C)c(C)c1 744029349 RJIYEGCZSPNODB-NRFANRHFSA-N 433.552 5.066 30 20 IKED CCCCCCn1nc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c2ccccc2c1=O 744371677 YGSCILGGHPUMLH-UHFFFAOYSA-N 442.441 5.120 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN(CCc2ccccc2F)C2CCCC2)c1=S 746070288 LDZJEVGFHFWNDN-UHFFFAOYSA-N 437.588 5.246 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C\C(=O)c1ccc(N2CCOC2=O)cc1 748585164 XERLLTXOLDRNCD-QXMHVHEDSA-N 435.911 5.054 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)cc1C#N 752303999 UATDHYMBQDOXHP-CQSZACIVSA-N 435.509 5.133 30 20 IKED Clc1ccc(CSc2nncn2N=Cc2ccc(Br)c(Cl)c2)cc1 754917979 OZDBISOCAYMRRP-UHFFFAOYSA-N 442.169 5.522 30 20 IKED C#CCN(Cc1csc(N(C(C)=O)c2ccc(C)cc2C)n1)[C@@H]1CCc2ccccc21 756487622 UUSOUFAWSZAYHN-RUZDIDTESA-N 429.589 5.567 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CN(C(=O)OC(C)(C)C)c3ccccc3)n2)cc1 761092834 IOYODXVAZOLOIM-HXUWFJFHSA-N 447.560 5.737 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 763368236 ROMFRFBGGSBMNQ-QRVBRYPASA-N 445.629 5.550 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2c(C)cc(Cl)c3ccccc23)ccc1OC 765349516 NMPVFQKQBGDHOQ-KRWDZBQOSA-N 437.927 5.813 30 20 IKED N#CC(CCN1CCC(O)(c2c(F)cccc2F)CC1)(c1ccccc1)c1ccccc1 769791586 VDNWSRLPBWCUMU-UHFFFAOYSA-N 432.514 5.148 30 20 IKED Cc1cc(Br)cc2c(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)coc12 770005788 VLUYSCUZVVFZIU-UHFFFAOYSA-N 434.633 5.189 30 20 IKED N#CCSc1ccccc1C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 770270708 NYMNRJBZQUFJPP-UHFFFAOYSA-N 426.370 5.085 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cc(Cl)c(N)c(Cl)c2)cs1 773163817 ZCBGNPKIAMIUSL-YVMONPNESA-N 446.359 5.921 30 20 IKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2ccc(Sc3ccc(Cl)cc3)cc2)n1 773659590 PAOBULZJLWQZCF-GOSISDBHSA-N 442.949 5.289 30 20 IKED Cc1nc(Br)ccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 773706506 GNLLVGYPVQVHSP-UHFFFAOYSA-N 426.245 5.208 30 20 IKED Cc1ccc(C(=O)O[C@@H](C#N)Cc2ccc(F)cc2F)cc1NC(=O)Nc1ccccc1 774319589 GDFBRCPGNNDPNE-HXUWFJFHSA-N 435.430 5.209 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)c1 775974523 KMDWRLPLIMCCLZ-SJLPKXTDSA-N 425.838 5.124 30 20 IKED Cc1cc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)nn1-c1ccc(Cl)cc1Cl 777485379 VSPYUXJRMQBRSR-UHFFFAOYSA-N 440.117 5.918 30 20 IKED CC(=O)N1C/C(=C/c2ccc(-c3ccc(C(F)(F)F)cc3)o2)C(=O)c2ccccc2C1 778518651 ABWKMVHVPWJOGC-PDGQHHTCSA-N 425.406 5.594 30 20 IKED CC(C)(C)OC(=O)N1CCCc2c(C(=O)N[C@@H](C#N)c3ccc(Cl)cc3)cccc21 778750142 ILESOXSRAIAHTL-IBGZPJMESA-N 425.916 5.022 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(C)(c2cccc(Br)c2)CC1 780677386 JAYCITHTNGLYTD-INIZCTEOSA-N 442.357 5.326 30 20 IKED N#CCC1CCN(Cn2nc(Cc3ccccc3)n(-c3ccc(Cl)cc3)c2=S)CC1 781570693 AKADGMBFDCOVBG-UHFFFAOYSA-N 438.000 5.231 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(Br)c2cc(C)oc12 786624074 JCEYGNVVYRXKHV-UHFFFAOYSA-N 434.293 5.253 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1nccc2ccccc12 792095582 LXBHUWUYQNLUMT-BWKNWUBXSA-N 433.511 5.117 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H]2CC(C)(C)c3ccc(Br)cc32)ccc1OC 794810426 LELHCLDTUJNGEE-XLIONFOSSA-N 443.385 5.651 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c1=S 795687067 JFUPXUKNWVFHQI-ZRBLBEILSA-N 431.609 5.278 30 20 IKED C[C@H](OC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1nc(-c2ccccc2)cs1 796994244 PTSWWDZDHXCASO-INIZCTEOSA-N 435.524 5.342 30 20 IKED CC(C)(C)OC(=O)N1CCN(CCCC2(C#N)CCOCC2)[C@@H](c2ccccc2Cl)C1 800476270 IYFHZBISSVTHCR-OAQYLSRUSA-N 448.007 5.034 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccc(-n3cncn3)cc2)C2CC2)cc1 801663556 XSXRVEGHFPFKPS-AREMUKBSSA-N 448.530 5.119 30 20 IKED O=C(Nc1ncc(C(F)(F)F)s1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 801753149 XTKSDVYREUGGNK-PHDIDXHHSA-N 429.308 5.193 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(Oc2ccccc2)CC1 802559972 IVQYOBCBLPJJBN-LJQANCHMSA-N 436.531 5.181 30 20 IKED N#Cc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1Br 808871230 GELWMQAKSRPVTR-NRFANRHFSA-N 447.288 5.027 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C\c2cn(C)nc2C(F)F)C(=O)c2ccccc2)c(Cl)c1 812241938 OXUHAUYKBIKFAW-BOPFTXTBSA-N 443.881 5.533 30 20 IKED CC(C)(C)C(=O)/C=C1\SCC(=O)N1Cc1cn(-c2ccccc2)nc1-c1ccccc1 850704169 SZUHEONRSDUMMU-UCQKPKSFSA-N 431.561 5.071 30 20 IKED CC(C)n1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c(C2CCOCC2)n1 856618113 GTVNNXWGYQLZGM-UHFFFAOYSA-N 430.508 5.274 30 20 IKED N#CC[C@H](Cc1nc(-c2cc(Br)cc(Br)c2)no1)c1ccccc1 904915614 NBWRTHAAKXOFGA-CYBMUJFWSA-N 447.130 5.502 30 20 IKED COc1cc(C=NNc2ccc(F)cc2Br)ccc1OCc1ccncc1 912817817 VKJUNZCNWAHYQC-UHFFFAOYSA-N 430.277 5.017 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)cc1OC 914770084 ZUBZNPZDAQTVDJ-FLIBITNWSA-N 433.548 5.012 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc2ccccc2n1 916848982 QPAXYPLTPZMGHQ-SFHVURJKSA-N 437.446 5.796 30 20 IKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)sc2cccc(F)c12 916885711 AOAPXHIOQRQLAS-CYBMUJFWSA-N 434.464 5.625 30 20 IKED CC(C)c1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)c2cnn(C(C)C)c2n1 916915946 LNTYQFZUDVIVPS-HXUWFJFHSA-N 439.519 5.250 30 20 IKED O=C(/C=C/c1c(Cl)nc(Cl)n1-c1ccccc1)c1ccc(N2CCCC2=O)cc1 920066253 VOOHBMMHNDWEOF-OUKQBFOZSA-N 426.303 5.202 30 20 IKED CCOc1cc(/C=C/C(=O)c2cnn(C)c2)cc(Br)c1OCc1ccccc1 920832743 WDEYQVIQNFBCSA-MDZDMXLPSA-N 441.325 5.056 30 20 IKED C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(N2CCOCC2)cc1 920879440 MLVVPUBZYNXMSB-IBGZPJMESA-N 443.572 5.037 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CC[C@H](CCC)CC1)C2 1779513429 UZPIZBIFGKEFCQ-DVAKJLRASA-N 446.676 5.099 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)CCNc4ccc(C)cc4C)CCC3)cc2)C1 1785808549 LZWWHHGTZLVTDG-UHFFFAOYSA-N 431.580 5.206 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Nc3cccnc3)CCC2)cc1 1785841918 DFWIYAVTUQEZBJ-LJQANCHMSA-N 434.584 5.009 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)CCC(F)(F)F)cc3)CCC2)c1Cl 1787872520 QVUKNOOBLCXQRO-UHFFFAOYSA-N 449.860 5.302 30 20 IKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)c(F)c(Cl)c3)CCC2)cc1 1787889057 DVDBWIHNRKBADA-UHFFFAOYSA-N 434.298 5.184 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc(Br)cs3)cc2)CCC1 1788677861 VHWRLBMLMQABKO-UHFFFAOYSA-N 445.382 5.062 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CC[C@@H]3CNc4ccccc4C3)CCC2)cc1 1791246771 BTJMHZQMCIVRKU-SFTDATJTSA-N 445.607 5.397 30 20 IKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@H]4c4ccc(Cl)cc4)CCC3)cc2)CCC1 1792230504 VKWYKEPRVXYZGX-VXKWHMMOSA-N 447.966 5.271 30 20 IKED C=CCC(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(CCCCC)cc2)[C@@H]1c1cccnc1 1802996164 XRZNYZMDHCLSQE-BYJLBXDESA-N 445.607 5.110 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2CCC[C@@H]4CCCC[C@@H]42)C3)c1 1803681792 YLXLMQJHNQDXPI-NVDLQLNVSA-N 447.623 5.172 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/C2CCCCC2)[C@@H]1c1cccnc1 1808524357 RCUKBTDTAPLDIT-ZRZKYUINSA-N 437.628 5.216 30 20 IKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](C)c2ccc(Cl)cc2)[nH]n1 1822579257 CVHNTSSLFCGRFW-LAUBAEHRSA-N 440.975 5.053 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(OC)c2F)CC1 1823755299 RXIIVKDNAZIRQQ-NRFANRHFSA-N 444.591 5.060 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cccc(C)c3[nH]2)CC1 1828828272 GTUSUEVWAZMGTN-ZCYQVOJMSA-N 447.623 5.478 30 20 IKED Cc1ccc(-n2c(SC[C@H](C#N)CCC#N)nnc2-c2ccc(Cl)cc2)cc1Cl 15235458 KLENULGHRHQRQX-HNNXBMFYSA-N 442.375 6.085 30 20 IKED CCn1c(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccc(Cl)cc1 16755177 DQZABAVIKRTARM-GFCCVEGCSA-N 446.363 5.263 30 20 IKED C[C@H](Sc1ncnc2sc(-c3ccccc3)cc12)C(=O)N(CCC#N)c1ccccc1 21682318 DKFCHYNJKBRULJ-KRWDZBQOSA-N 444.585 5.786 30 20 IKED Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 30530002 XQGMFZGDDOOUJL-GOSISDBHSA-N 441.896 5.013 30 20 IKED C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 59799187 KAOCFQWRLYCGRX-KRWDZBQOSA-N 447.516 5.359 30 20 IKED CCOc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c(C(F)(F)F)c1 64848853 XZRJEOQOYLZTMJ-UHFFFAOYSA-N 430.382 5.400 30 20 IKED Cc1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1NC(=O)c1ccccc1 78718814 LTZCOEDPWBYXKL-HXUWFJFHSA-N 438.314 5.549 30 20 IKED CCCOc1c(Cl)cc(/C=C/C(=O)c2ccc(N3CCC(O)CC3)cc2)cc1OCC 97572474 KTQLFTMVVHOEJB-BJMVGYQFSA-N 443.971 5.385 30 20 IKED N#Cc1cc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)ccc1Cl 115379694 QJQFXXNRMUBNHE-UHFFFAOYSA-N 439.899 5.334 30 20 IKED C=CCn1c(SCC(=O)N[C@H](c2cccs2)C(C)(C)C)nnc1-c1ccccc1F 195677287 RATWQXMSZMSAME-LJQANCHMSA-N 444.601 5.327 30 20 IKED Cn1c([C@H](C#N)C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)nc2ccccc21 195720709 KBXRAFIRVCFXQU-CYBMUJFWSA-N 427.316 5.494 30 20 IKED CC[C@H](C#N)Oc1cc(CNCc2ccc(-n3cnc4ccccc43)cc2)ccc1OC 236900429 HXZLKZWIBNLQOA-JOCHJYFZSA-N 426.520 5.005 30 20 IKED Cc1ccc(-n2cc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)c(-c3ccccc3)n2)cc1 301758968 FXDYMAOOBMJTHL-OAQYLSRUSA-N 431.499 5.225 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2csc(-c3ccc(F)cc3)n2)cc1 303008934 WJEJMYZIWOQGDR-UHFFFAOYSA-N 443.503 5.847 30 20 IKED N#Cc1cnc2ccc(OC(F)F)cc2c1NCCc1nc(-c2ccc(Cl)cc2)no1 303397890 OGHZTSWHACGNCX-UHFFFAOYSA-N 441.825 5.066 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(S[C@H](C(=O)N(C)C)c3ccccc3)n2)o1 303597273 NIMVGYNOTQEWIO-IBGZPJMESA-N 445.466 5.462 30 20 IKED Cc1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1NC(=O)C(C)(C)C 303606528 KTTDZUAVNVZATI-UHFFFAOYSA-N 441.531 5.683 30 20 IKED CC(C)(C)C[C@@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccccc1 409511433 FIKZYDVUPMUZEP-HSZRJFAPSA-N 432.568 5.096 30 20 IKED Cc1nc2cc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)ccc2n1Cc1ccsc1 409517307 ZSBAOUXAMIRFQD-UHFFFAOYSA-N 428.561 5.377 30 20 IKED N#Cc1ccccc1CSCCNC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 409881230 CFJMDSUROIGNID-UHFFFAOYSA-N 449.523 5.169 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)Nc3ccc(C#N)cc3Cl)s2)cc1 426155311 WHCKKELANVVTGH-CYBMUJFWSA-N 426.929 5.535 30 20 IKED Cc1cnc(-c2ccccc2NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)[nH]1 427182842 SHSMOGOBLOMNEV-UHFFFAOYSA-N 428.879 5.955 30 20 IKED CC(C)n1ncc2c(C(=O)N(C)c3cc(Cl)ccc3C#N)cc(-c3cccs3)nc21 435996902 ASEAKKUQUZKLCY-UHFFFAOYSA-N 435.940 5.542 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccccc2OCc2cscn2)cc1F 437483800 MZTPJCMMJDKAGE-UHFFFAOYSA-N 445.475 5.777 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC[C@H]1c1ccccc1 437891901 QIONCVQJFMTMGD-QFQXNSOFSA-N 439.559 5.989 30 20 IKED C[C@@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)Oc1cccc(Br)c1 438051394 OTZFXZNSXZITSL-GJZGRUSLSA-N 448.386 5.432 30 20 IKED CN(C[C@H]1CCCOC1)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 438517620 UUTFKRYQDFLUAK-OAHLLOKOSA-N 433.430 5.260 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C[C@H](c2ccc(F)cc2)O1 438659180 DXELBYIFEOMITH-VOIUYBSRSA-N 449.457 5.623 30 20 IKED COc1ccc(C[C@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1OC 438670236 KSMJSZNMSRIWNQ-INIZCTEOSA-N 449.482 5.260 30 20 IKED N#Cc1cc(NC(=O)N2CC[C@H]([C@@H]3CCOC3)C2)ccc1Oc1ccc(C(F)(F)F)cc1 442211234 DIBGKOKHDUYLJI-JKSUJKDBSA-N 445.441 5.260 30 20 IKED C=CCN(C(=O)c1cnc(-c2ccc(OC)cc2)s1)c1nc(-c2ccccc2)cs1 443813294 GTOZYCZJNVRMAX-UHFFFAOYSA-N 433.558 5.775 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1Cl 447362496 DUSDKKOGWDGRPX-OLZOCXBDSA-N 436.364 5.061 30 20 IKED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@@H]1c1cc(F)cc(Br)c1 460937870 RYIBXOHHVNTNMV-GDIGMMSISA-N 449.368 5.195 30 20 IKED COCCOCc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 463592958 SSCFQALMANHPPM-QHCPKHFHSA-N 434.923 5.411 30 20 IKED Cc1cncc(N(Cc2ccccc2Br)C(=O)[C@H](C)c2cccc(C#N)c2)c1 464496109 KXSGSOJPLSZAQV-QGZVFWFLSA-N 434.337 5.361 30 20 IKED COc1ccccc1-c1nnc(SCCCSCC#N)n1-c1ccc(Cl)cc1 466618976 VLWBKAMAJCYAQW-UHFFFAOYSA-N 430.986 5.335 30 20 IKED CCCNc1ccc(C#N)cc1NC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl 469074687 UPOQANUQWBWEEM-UHFFFAOYSA-N 427.936 5.206 30 20 IKED Cc1ccc(NC(=O)C[C@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c(Cl)c1 469082874 SMUGEIVRSAYLRG-KRWDZBQOSA-N 438.959 5.061 30 20 IKED C[C@H](CC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(C(F)(F)F)cc1 469949319 VNOQHKXJHBZJEX-MRXNPFEDSA-N 443.469 5.421 30 20 IKED Cc1cccn2cc(COc3ccccc3C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)nc12 474450846 XFRQFJHFQMZYDJ-LJQANCHMSA-N 430.533 5.292 30 20 IKED COC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 474517026 PBDKYTLORCVRBD-XMMPIXPASA-N 443.547 5.053 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 474747782 INGRAKTVXFIPMX-UHFFFAOYSA-N 440.421 5.449 30 20 IKED CCc1c(-c2ccc(Br)cc2)n[nH]c1NC(=O)c1ccc(C(C)(C)C#N)cc1 475908894 CLEVYQJCCYCTPG-UHFFFAOYSA-N 437.341 5.455 30 20 IKED N#C[C@H]1CN(C(=O)Nc2cc(Cl)ccc2Oc2ccc(Cl)cc2Cl)CCO1 476966515 YYRMPFDUKQSYOG-ZDUSSCGKSA-N 426.687 5.195 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N[C@@H](c2ccccc2)c2nccs2)cc1 479648550 LPFJXSVVTTXAAL-QFIPXVFZSA-N 427.554 5.685 30 20 IKED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H](c2cccc(Cl)c2)C2CCCC2)cc1 480998621 MQNZSBHYUPQEIB-QVKFZJNVSA-N 445.972 5.079 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 483820333 SETSSABTHFXVOE-UHFFFAOYSA-N 448.955 5.385 30 20 IKED C=C[C@H]1CCCCN1C(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC 486768554 NUHIYHLXIKJXPY-IBGZPJMESA-N 437.540 5.309 30 20 IKED C=CCn1c(SCc2cn(C(C)C)nn2)nc2scc(-c3ccc(C)cc3)c2c1=O 488263097 HHSQSVGCIJRFRP-UHFFFAOYSA-N 437.594 5.084 30 20 IKED N#Cc1ccc(Br)c(CN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1 492529063 BNPIQPQZZZZERY-GFCCVEGCSA-N 430.293 5.176 30 20 IKED CCc1cc(C#N)c(NC(=O)c2oc3ccccc3c2CSc2nnc(C)s2)s1 499780614 XEMSMPCYBCZJCB-UHFFFAOYSA-N 440.575 5.633 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 501581815 ICODCZYWQNWRQF-SFTDATJTSA-N 436.474 5.215 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc(C)cs2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 502690103 QPZZCCWDLSCOCS-AWEZNQCLSA-N 443.868 5.304 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1OCCC(F)(F)F 505883011 MUBHOSXUFYXREM-UHFFFAOYSA-N 441.381 5.285 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCN(c3ccccc3C)CC2)cc1 508274786 CYINRHCVBYQNGU-UHFFFAOYSA-N 442.519 5.022 30 20 IKED CCOc1cc(CN[C@@H](C)c2ccc(C#N)cc2)cc(Br)c1OC(F)F 509621351 UMRMSSVFFZCGSY-LBPRGKRZSA-N 425.273 5.172 30 20 IKED CN(Cc1cccc2ccccc12)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509883747 GMWRLDYFEBTYCE-UHFFFAOYSA-N 435.527 6.149 30 20 IKED Cc1nc(COc2ccc(CN(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2)no1 510431865 USITYZOUYMXSFH-UHFFFAOYSA-N 442.494 5.170 30 20 IKED N#C[C@H](NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 511424411 REDJAZCPFPUQCL-SFHVURJKSA-N 432.694 5.829 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1 515773320 GCZAEWSZJDZELW-UHFFFAOYSA-N 425.435 5.339 30 20 IKED COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 516379156 JFORQHVOHYRZGQ-RBUKOAKNSA-N 429.520 5.345 30 20 IKED CCC[C@H](CCCS(C)(=O)=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 516536554 BLVQNVXFYSZZNL-NQIIRXRSSA-N 447.000 5.175 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1Cc2ccccc2-c2ccccc2C1 518675707 MPOURLDHLAFDSN-GOSISDBHSA-N 441.556 5.086 30 20 IKED COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 519026576 NTSZBXPSGIEFSH-MRXNPFEDSA-N 432.501 5.256 30 20 IKED CCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(c1ccccc1)c1ccccc1 520325251 FKGKWTJJTIKIQD-UHFFFAOYSA-N 433.511 5.997 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1CN1C[C@@H](C)C[C@H](C)C1 520478334 SFZCSQSOZAQXJT-VXKWHMMOSA-N 432.612 5.156 30 20 IKED CCCCOc1c(Cl)cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1OC 521725905 ICZQAALJVRUZRW-HNNXBMFYSA-N 432.973 6.032 30 20 IKED COc1ccc(CNC2(c3ccc(Br)cc3)CCCC2)cc1OCCCC#N 521848523 IIMRNSPUBUILBL-UHFFFAOYSA-N 443.385 5.699 30 20 IKED N#CCCCCS(=O)(=O)N[C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 521880368 OXUZHBFYMUSSGT-IBGZPJMESA-N 429.344 5.030 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(O[C@H](C)c2ccccc2)cc1C 524435884 SRRSPAPMRFWDNJ-OAQYLSRUSA-N 425.532 6.227 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)c1cccc(Sc2cccc(Br)c2)n1 524644923 ZCYNSGZWBZFEON-UHFFFAOYSA-N 438.350 5.139 30 20 IKED COc1ccccc1N1CCC(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 524664398 NXKWAFJSXRNRBI-UHFFFAOYSA-N 442.519 5.150 30 20 IKED N#CCCSc1ccccc1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 525566959 NITRBUWYDJHUJN-UHFFFAOYSA-N 444.343 6.439 30 20 IKED N#C[C@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)c1cccc(Br)c1 534285868 HEAAEKNUPCHDPE-HNNXBMFYSA-N 434.746 5.026 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C)nc4ccc(OC)cc34)n2)cc1 538769244 SDVKHTGPOHGYEL-HXUWFJFHSA-N 429.501 5.174 30 20 IKED CCCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H](c1cccnc1)c1ccc(F)cc1F 539620593 JJCPPRIAJRFUHX-DEOSSOPVSA-N 431.486 5.557 30 20 IKED CC(C)OCc1c(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)oc2ccccc12 541140679 NMUSTZFPCTTZOW-UHFFFAOYSA-N 434.883 5.321 30 20 IKED COc1cc(C#N)ccc1CN[C@@H](C)c1sc(-c2ccccc2Br)nc1C 541638354 BBJLEQXLBJGTDT-ZDUSSCGKSA-N 442.382 5.612 30 20 IKED Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](c1ccccc1)c1cc(Cl)ccc1Cl 543282479 BGBKRXZUFAPZSJ-OAQYLSRUSA-N 438.314 5.018 30 20 IKED Cc1nn(-c2ccccc2)c2nc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)ccc12 543986508 WTUVTQCOSAYMLP-FQEVSTJZSA-N 435.512 5.343 30 20 IKED Cc1cc(N2CCCCCC2)ccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 552642107 YWYBTJFXPFUTCA-UHFFFAOYSA-N 426.520 5.687 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1 553371129 BGMXRBBPPRCWBB-SDHSZQHLSA-N 440.568 5.354 30 20 IKED CCOC(=O)C1CCC(N(CC)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 554878243 ZQPOJALMJXZSQW-UHFFFAOYSA-N 435.524 5.326 30 20 IKED C=C(C)Cn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N1CCC[C@@H](COC)C1 558996772 RNYNSLDMIJTVEA-LJQANCHMSA-N 443.551 5.192 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1)C1CC1 561630633 USLZCJHECMYHGJ-UHFFFAOYSA-N 445.906 5.772 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2c3ccccc3CC23CCOCC3)cc1 575097956 WACLGVXTPLSTPT-RUZDIDTESA-N 439.515 5.566 30 20 IKED C=CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H]1c1nc2ccccc2s1 576195672 OFERPKYJAJSDFJ-FQEVSTJZSA-N 431.565 5.303 30 20 IKED N#Cc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)cc1Cl 603563424 BEKFQZBPCGTPAR-UHFFFAOYSA-N 430.817 5.546 30 20 IKED CC(C)N(CCC#N)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 608814256 FGYKMOIHPKBMIW-JXAWBTAJSA-N 434.521 5.286 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 608882184 JRHHRRXWBHUFDA-UHFFFAOYSA-N 433.320 5.447 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c12 609019976 DFHHVKOCUBFYKH-UHFFFAOYSA-N 430.464 5.517 30 20 IKED COc1cccc(Oc2ccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2)c1 609207390 VNRNASMHXVSXDC-UHFFFAOYSA-N 443.503 5.434 30 20 IKED CCCN(C(=O)CCc1nc(-c2ccc(OCC)cc2)no1)c1cc(Cl)ccc1C#N 609285981 IRODNNGQMPSZHM-UHFFFAOYSA-N 438.915 5.036 30 20 IKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)N(CCC#N)c1ccccc1 609387094 LCRSVPZFGRUKFY-MRXNPFEDSA-N 446.498 5.458 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl 609435398 LVKAWOFMJXQNEQ-VXGBXAGGSA-N 426.344 6.409 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 609436622 SFJYXKXCNDHMJE-JXFKEZNVSA-N 441.572 5.452 30 20 IKED COc1ccc2c(-c3ccccc3)cc(S[C@@H](C(N)=O)c3ccc(C#N)cc3)nc2c1 609648568 RHYKDSVMURXHAP-XMMPIXPASA-N 425.513 5.101 30 20 IKED Cc1ccc(Br)cc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 610224626 XOHANLBIFBVXSG-UHFFFAOYSA-N 435.321 5.655 30 20 IKED Cc1nn(-c2ccc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)cc2)c(C)c1Br 613292751 VNMSRPPJDPBDKU-IBGZPJMESA-N 445.320 5.290 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)nnc1-c1ccoc1C 613433482 BHBDRRGPOMWBCS-FUHWJXTLSA-N 446.576 5.544 30 20 IKED CN(C)CCCCN(C)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 615536633 GJXAUQGVRBRCGB-UHFFFAOYSA-N 434.462 5.175 30 20 IKED CC(C)n1c([C@H]2CCCN(C(=O)c3cc(-c4cccc(C#N)c4)no3)C2)nc2ccccc21 619113267 PWVWKQVAILYPPQ-FQEVSTJZSA-N 439.519 5.164 30 20 IKED C[C@H](NCc1ccc(C#N)c(Cl)c1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 619754896 OCRWVKDFDVYLAI-KRWDZBQOSA-N 446.016 5.064 30 20 IKED C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(OC2CCCC2)CC1 670196217 MYVLKDMEPCBNNJ-UHFFFAOYSA-N 432.515 5.051 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(Cl)ccc1OC(F)F 673987861 COQQMHVSVDOUGI-YUMQZZPRSA-N 439.730 5.581 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)c(Cl)c2)[n+]2ccccc2)c1 726573487 GNQDMWXHKQXQAG-UHFFFAOYSA-O 426.348 5.586 30 20 IKED C[C@@H](Sc1nnc(Cc2cccs2)o1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 727268810 TZDANZHCZPRPBI-RMENWYJGSA-N 425.579 5.083 30 20 IKED O=C(/C=C/c1ccccc1OCc1cccnc1)c1ccc(OC(F)F)cc1OC(F)F 728156148 BYLCPZCDPUGYEX-JXMROGBWSA-N 447.384 5.760 30 20 IKED CC(C)Oc1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 728174987 DIPATRCAIYDGRR-UHFFFAOYSA-N 435.524 5.872 30 20 IKED C#Cc1cccc(N(C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)C(C)C)c1 728247254 WMLJSRNCYBZUQM-UHFFFAOYSA-N 425.557 5.663 30 20 IKED C=CCc1cc(CNC(=S)Nc2c(Cl)ccc(C)c2Cl)cc(OC)c1OC 728445367 PQWLZJOQNRLRHJ-UHFFFAOYSA-N 425.381 5.534 30 20 IKED N#Cc1ccc(Oc2cccc(NCC(=O)Nc3ccc(N4CCCCC4)cc3)c2)cc1 729675462 JRKDFNHCCUJNBS-UHFFFAOYSA-N 426.520 5.391 30 20 IKED Cc1nc(CCC(=O)N2/C(=N\Cc3ccccc3)SCC2(C)C)oc1-c1ccccc1 730160800 NYJZFJFVEBWGDR-SHHOIMCASA-N 433.577 5.493 30 20 IKED Cc1nc(C(C)(C)C)sc1C(=O)/C=C/c1ccc(OCc2occc2C(=O)O)cc1 730948862 NRDDFMCNSWDVDI-JXMROGBWSA-N 425.506 5.515 30 20 IKED Cc1cccc(N(CCC#N)C(=O)COC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)c1C 731268166 KJANJPATDYWFPQ-DNQXCXABSA-N 426.516 5.050 30 20 IKED CCOCCOc1c(Cl)cccc1NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 733621702 NDANQVPJQOZPIX-NRFANRHFSA-N 449.938 6.055 30 20 IKED O=C(/C=C\c1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc(N2CCC(O)CC2)cc1 734235049 IPDOGGAPINPIKY-LUAWRHEFSA-N 441.449 5.823 30 20 IKED C=CC[C@H](NC(=O)NC[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12)c1ccncc1 734652315 KYLOBCBVNYSWEO-ZCYQVOJMSA-N 440.547 5.320 30 20 IKED C=CC[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1)c1ccncc1 734679848 PROMACZIBNEIBL-OZXSUGGESA-N 443.547 5.073 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(SC(F)F)cc2)cs1 734980944 NERXRPIOOZASTJ-GHXNOFRVSA-N 444.528 6.347 30 20 IKED C=CCOc1ccc(/C=C/C(=O)N(CC)Cc2cccc(-c3ccncc3)c2)cc1OC 741645172 FDSBADXTGJFMMB-ZRDIBKRKSA-N 428.532 5.384 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(N3CCSCC3)cc2)cc1 741699923 WXBDVZFWQLUXFV-UHFFFAOYSA-N 445.613 5.656 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2cccc(OCC#N)c2)c2ccccc2Cl)c(C)c1 743103137 PAGADIQQFSEVBV-HSZRJFAPSA-N 435.911 5.471 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 743151920 IBYNEXBNIIWAQG-ZIAGYGMSSA-N 441.944 5.524 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)c1ccc(Br)s1 744027900 CKZCXWIFFFUCGF-DOMZBBRYSA-N 433.371 5.086 30 20 IKED O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(-c2ccncc2)cc1 745990593 VNSMNTQCYGJDIQ-JYRVWZFOSA-N 438.914 6.550 30 20 IKED CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 748942919 AONOCKJCFBBZKB-AREMUKBSSA-N 443.547 5.228 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2nc(C)n(-c3ccccc3C(C)C)n2)cc1 750394341 FPVMMPUSMRYIPP-VGOFRKELSA-N 443.551 5.174 30 20 IKED N#CCOc1ccc(C(=O)/C=C\c2cnc(-c3ccc(Br)cc3)s2)cc1 751520397 ANGFLHSASDOGPE-KTKRTIGZSA-N 425.307 5.371 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CCS[C@@H](C)[C@@H]2c2ccccc2)c1=S 765011730 KHHPPBXWROZTFH-GHTZIAJQSA-N 437.638 5.188 30 20 IKED N#C[C@@H](C(=O)CCCc1ccccc1Br)c1nc(-c2ccncc2)cs1 766326547 RQIXYXHAPHIWMT-INIZCTEOSA-N 426.339 5.167 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3cnc(Cl)c4ccccc34)s2)cc1 766344711 ZIOORVOVYFLHLV-UHFFFAOYSA-N 437.937 5.156 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2cc(Cl)nc(Oc3ccc(Br)cc3)c2)n1 772549002 QFBURNLEMUKSHD-CQSZACIVSA-N 448.729 5.545 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CC=C(c3ccc(Cl)nc3)CC2)cc1 773814017 GPIXFTYDZVOHLD-UHFFFAOYSA-N 429.907 5.115 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CC=C(c3ccc(Cl)nc3)CC2)c1 773826847 KHHPPMNDNWAFJN-UHFFFAOYSA-N 429.907 5.115 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2nc3ccccc3cc2C)cs1 776783509 VIPFEZXWCDIDMT-UHFFFAOYSA-N 435.940 5.784 30 20 IKED CC[C@@H](C#N)Oc1cccc(CN[C@@H](c2ccc(Br)cc2)c2ccco2)c1 779412316 LZONCSLKMWUXSE-UGKGYDQZSA-N 425.326 5.602 30 20 IKED CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)co1 780346250 PKQRZYRMRBVAHW-JOCHJYFZSA-N 431.492 5.212 30 20 IKED FC(F)Sc1ccc(C=Nn2c(S)nnc2-c2ccccc2Br)cc1 781588900 YJGYUXINSVOKOO-UHFFFAOYSA-N 441.326 5.193 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)c1 782290691 JGNRWYBQVBBWPC-SFHVURJKSA-N 443.425 5.280 30 20 IKED COc1cc(Br)ccc1CCC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 782606077 ZNCIMRQSGYAGNS-CQSZACIVSA-N 433.302 5.016 30 20 IKED Cc1cc(Br)c2oc(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)cc2c1 783077804 YIJZPFZKPBTTPP-LBPRGKRZSA-N 449.663 5.257 30 20 IKED C#CCOc1cccc(NC(=O)C(=O)Nc2ccc([C@@H](C)Sc3ccccc3)cc2)c1 784623811 DVHUGVNOYVSBFD-GOSISDBHSA-N 430.529 5.129 30 20 IKED CN(Cc1ccccc1)Cc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)c1 784831134 IMVLGRDULONVIQ-AREMUKBSSA-N 447.538 5.433 30 20 IKED C=CCn1c(SCC(=O)OCc2ncc(C(C)C)s2)nnc1-c1ccc(Cl)cc1 790979000 WOIUDSUBHWGNTP-UHFFFAOYSA-N 449.001 5.200 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(-c2cccc3cccnc23)cc1 796754257 PURSIBUSCMQKKT-QHCPKHFHSA-N 429.479 5.897 30 20 IKED Cc1ncsc1-c1nc2ccccc2n1CC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797567825 MIJPDJHGNGVEKL-CQSZACIVSA-N 435.578 5.099 30 20 IKED N#CC1(CCCOC(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)CCOCC1 800217283 BZPSDOGPHZABJU-NRFANRHFSA-N 447.959 5.956 30 20 IKED C[C@@H](Cc1cncc2ccccc12)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 805856585 YONRUGPTHUCPDY-SCLBCKFNSA-N 426.303 5.068 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 806244544 DPJNFZLKMRVIAD-UHFFFAOYSA-N 437.565 5.006 30 20 IKED Cc1ccccc1[C@@H](O)C1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 806266443 YIYBWINWEMOEKQ-SANMLTNESA-N 441.531 5.637 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)C(C)(C)c2csc(-c3ccccc3F)n2)c1 815613044 DXMACMIAZOTPTE-KRWDZBQOSA-N 437.540 5.224 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cnc(OC2CCCCC2)c(Cl)c1 815907684 HSMLCKVTHHIHPJ-HNNXBMFYSA-N 432.307 5.061 30 20 IKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H](C)c1cccnc1 837302210 UEELPYKAFVCHAB-XMSQKQJNSA-N 444.560 5.112 30 20 IKED CC(C)N(C)c1ccc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F 916571490 GJRYGFGSTXZFNC-RYUDHWBXSA-N 443.407 5.701 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(OCc2ccccc2)cc1 916903104 LDPPXJSXSAHVOW-XMMPIXPASA-N 426.516 5.352 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ccccc2Br)cc1 916950683 VTVZEJPWCOZWFX-DNVCBOLYSA-N 427.342 5.243 30 20 IKED COc1ccc(S[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916976570 SNUQJWPIOUKVCI-UGSOOPFHSA-N 428.966 5.829 30 20 IKED COc1cccc(COCC(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 917032923 XUXFTYIGIYEYCW-SKLOBRBISA-N 436.577 5.013 30 20 IKED C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917047529 ZJCCYJSMULVCKT-IAQYHMDHSA-N 447.944 5.025 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cc(Cl)sc2Cl)cs1 917560122 RGWRTZTXQQXCKD-DAXSKMNVSA-N 441.336 6.231 30 20 IKED N#C[C@H](Cc1ccccc1)Sc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCC3 917952661 CYPILQWSJJOJPX-SFHVURJKSA-N 447.585 5.205 30 20 IKED N#CCCn1cc(C(=O)COC(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)c2ccccc21 919204412 GHBBADLBAPARSQ-UHFFFAOYSA-N 440.286 5.383 30 20 IKED CCCc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 920140925 KSXYSYKANLVWAQ-OAQYLSRUSA-N 427.529 5.474 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4ccccc4)n3)n2)cc1 920142084 JYEXDNRKSSWLFZ-IBGZPJMESA-N 431.542 5.361 30 20 IKED Cc1ccc([C@@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2cccc(Cl)c2)s1 920171365 UXEWZDSUNOGLNM-ACJLOTCBSA-N 448.013 5.071 30 20 IKED COc1ccc(-c2nc(SCc3csc(C4CCCCC4)n3)nc(O)c2C#N)cc1 920256970 LNTLHHGXXLGWJB-UHFFFAOYSA-N 438.578 5.526 30 20 IKED CCOC(=O)C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(F)cc1 920872646 OVZWQZLJJIIHSO-DNQXCXABSA-N 445.494 5.297 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(N2CCCC2=O)cc1 921117774 CNMRFSGLOHRJPY-SFHVURJKSA-N 440.503 5.360 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3C(C)(C)C)CCC2)cc1 1786366667 SJQLCSJYOKOPBV-UHFFFAOYSA-N 449.595 5.110 30 20 IKED CC[C@H](C(=O)NC1(c2ccc(NC(=O)[C@H](C)ON=C(C)C)cc2)CCC1)c1ccccc1 1790565295 YQODMHLKWZBNAR-CVDCTZTESA-N 435.568 5.115 30 20 IKED C=CCC(=O)N1CCC2(CCCN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)C2)CC1 1805626899 NJJUPGZRZBBFQN-UHFFFAOYSA-N 443.031 5.421 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc3ccccc3c2)n[nH]1 1816826714 BKXYAGQYBIXVHD-FDDCHVKYSA-N 430.552 5.010 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3cc[nH]c23)CC1 1828317818 MFXLSPVTALRGKS-QHCPKHFHSA-N 435.612 5.394 30 20 IKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 1828459976 PQHJAVBAWCCWMU-WUEDSLEZSA-N 426.645 5.016 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)c(C)c2)CC1 1828827530 OTDQBLQJMCCKGM-UPVQGACJSA-N 426.576 5.136 30 20 IKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)CC1 1829455047 YHLPJNMMMICNHW-QGZVFWFLSA-N 441.424 5.092 30 20 IKED N#CC1(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)CCCCC1 8988936 JGLMCYRYJYXLLP-UHFFFAOYSA-N 444.004 5.148 30 20 IKED CCc1cccc(CC)c1NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N 11461181 XHKRHVJDQKQVSE-UHFFFAOYSA-N 444.556 5.630 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(SC)c2)nnc1-c1ccc(F)cc1 24014541 CXHPRJXOVAVJCE-AWEZNQCLSA-N 428.558 5.111 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(Br)s2)cc1 25903241 FQHARXHTSIVVJC-UHFFFAOYSA-N 443.391 5.605 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 62905949 JHGSCPSIXSKDCH-UHFFFAOYSA-N 443.459 5.096 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 63394381 YUSLRONLYFKDGP-UHFFFAOYSA-N 442.475 5.787 30 20 IKED COc1cc(C#N)ccc1OCc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1 64652261 PHKFNLOXVLSHEO-UHFFFAOYSA-N 447.438 5.306 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(COCC3CC3)c2)cc1 65122585 LYDUAOPQOPVBHV-UHFFFAOYSA-N 428.557 6.029 30 20 IKED CCc1ccccc1NC(=O)CN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 72041267 SXXZHIDYLUHOFO-UHFFFAOYSA-N 428.492 5.015 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 432526369 NACMNDWBCLWPKI-XMMPIXPASA-N 447.485 5.045 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1ccc(-n2ncc3ccccc32)cc1Cl 435870338 NFRQJGXDUNPNFW-UHFFFAOYSA-N 431.883 5.009 30 20 IKED C[C@@H]1COCC[C@@H]1C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 436030225 BLDZZOPHVRNVJI-OXHMUOHRSA-N 437.302 5.116 30 20 IKED N#CCCCOc1cccc(NC(=O)C(=O)Nc2ccccc2Sc2ccccc2)c1 437066768 VJDQQFWRBNAOMT-UHFFFAOYSA-N 431.517 5.098 30 20 IKED Cc1ccc(CCN(Cc2ccco2)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 438037936 AZBDRSJNNQPLCI-HXUWFJFHSA-N 433.577 6.259 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N(CCC(F)(F)F)CC3CC3)c2)c1 438627622 RDCZGTIBWFHVEJ-UHFFFAOYSA-N 430.430 5.007 30 20 IKED C=CCC[C@H](NC(=O)CCc1nnc(-c2ccccc2)o1)c1ccc(C(F)(F)F)cc1 441575889 PJGQLAKWKSKBMP-IBGZPJMESA-N 429.442 5.512 30 20 IKED C=CCC[C@@H](NC(=O)CCCc1nc(O)c2ccccc2n1)c1ccc(C(F)(F)F)cc1 441584737 AADPPSDTQAROLZ-LJQANCHMSA-N 443.469 5.501 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1nc2ccccc2n1C(F)F 444669479 DBZHSIIITCNNEE-LSDHHAIUSA-N 443.523 5.115 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](CC(F)(F)F)c2ccccc2C)cc1 445235713 FPQFWGFHJXVQJF-OAQYLSRUSA-N 445.485 5.624 30 20 IKED Cc1cccc([C@@H]2NC(=O)N(c3ccc(OCc4cccc(C#N)c4)c(Cl)c3)C2=O)c1C 445948230 DQMBKFCSPMEGDG-QHCPKHFHSA-N 445.906 5.205 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N[C@H]2c3ccccc3CC23CCOCC3)cc1 460646871 LJXSILGGRIBKOL-SANMLTNESA-N 437.543 5.119 30 20 IKED C[C@H](CC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccc(F)c(Br)c1 462025949 KZISMCJUUHZCPK-OAHLLOKOSA-N 445.332 5.023 30 20 IKED C=CCNC(=O)c1ccc(N[C@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)nc1 462951562 RALVDBVDNFCVTC-JOCHJYFZSA-N 425.504 5.199 30 20 IKED CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 463166886 AMEIIPWCEFKQFV-WBAXXEDZSA-N 430.599 5.014 30 20 IKED C[C@@H](NC(=O)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1ccc(C#N)cc1 465670027 XRWHUWKAAUDHPF-VOIUYBSRSA-N 447.922 5.133 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 468686945 YBFZCRPXSXRSMJ-UHFFFAOYSA-N 433.295 5.241 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 474473308 UIFBYFRRHUICAP-CYBMUJFWSA-N 434.924 5.358 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 475553749 GLBWAPDGPUBIEG-HXUWFJFHSA-N 443.473 5.587 30 20 IKED C=C(C)[C@@H](NC(=O)N(C)Cc1ccc(OC(F)F)c(OCC)c1)c1ccc(F)c(F)c1 477747797 WJKDBWJBCIAABV-HXUWFJFHSA-N 440.437 5.424 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ncoc3-c3ccccc3)c2)cc1 478222959 FFZGEPKSHZUFEA-UHFFFAOYSA-N 438.487 5.308 30 20 IKED Cc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1NC(=O)N(C)C 478669042 GIEZRLTZRQNDGE-UHFFFAOYSA-N 448.910 5.658 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F 479901654 LZMARCDRICLTOI-UHFFFAOYSA-N 431.867 5.599 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nn1-c1ccc(Cl)cc1 480942619 PQDCCNRMSDONLR-IBGZPJMESA-N 443.919 5.319 30 20 IKED N#CC[C@@H](CC(=O)Nc1c(Br)cc(F)cc1Br)c1ccccc1 484054011 RJJSFAQDCIJLDR-LBPRGKRZSA-N 440.110 5.377 30 20 IKED Cc1ccc(-n2nc(C)c(CC(=O)N[C@H](CCCC#N)c3ccccc3)c2C)cc1Cl 487430291 PQEAFWOXFHXNTI-XMMPIXPASA-N 434.971 5.545 30 20 IKED CC(C)(C#N)c1ccccc1CSc1nnc(-c2cccnc2)n1Cc1ccccc1 487976764 AFHLWYJMKNSKSR-UHFFFAOYSA-N 425.561 5.482 30 20 IKED C[C@@H](Sc1nnc(CCC2CCCCC2)o1)C(=O)Nc1sc2c(c1C#N)CCC2 488873451 ZBJZAPVBIBGYGB-CYBMUJFWSA-N 430.599 5.124 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)nnc1-c1ccccc1C 488903472 AIBHLEMFDBSXJA-HNNXBMFYSA-N 442.972 5.221 30 20 IKED CS(=O)(=O)c1cccc([C@H](Nc2ccc(C(F)(F)F)cc2C#N)c2ccc(F)cc2)c1 489959667 YLXVHMCHVUGDEB-OAQYLSRUSA-N 448.441 5.321 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 494013225 ZALDVKKWTNQSRB-UXHICEINSA-N 448.320 5.559 30 20 IKED COc1ccc(-c2nc(CS(=O)(=O)Cc3ccc(-c4ccccc4C#N)cc3)co2)cc1 494745065 JTSORDARTLCCBG-UHFFFAOYSA-N 444.512 5.004 30 20 IKED CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 503115609 IZAPQPZTRQOQEH-NRFANRHFSA-N 449.429 5.093 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCCCNc1ccc(C(F)(F)F)cn1 503440149 UDRKWTQGXSDBIF-UHFFFAOYSA-N 432.899 5.015 30 20 IKED Cc1nc(NC(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c23)sc1SCC#N 504832593 WOSGRRRRJFSWEA-UHFFFAOYSA-N 441.582 5.322 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCc2cccc3cccnc23)cc1 508267670 PCFXNBMYJKEWDR-UHFFFAOYSA-N 438.487 5.272 30 20 IKED C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCC[C@@H](c2noc(C3CC3)n2)C1 508463133 DMYCELDUVQDWLL-CQSZACIVSA-N 445.354 5.082 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(OCc4cccc(F)c4)c3)CC2)cc1 509237427 SDQOSLVXUZEJRJ-UHFFFAOYSA-N 445.494 5.352 30 20 IKED CCN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[C@H](C)c1ccc(C#N)cc1 509617487 LEGACFIRKXWECR-GOSISDBHSA-N 428.492 5.302 30 20 IKED C[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1cc(F)c(Cl)cc1Cl 510825057 HRTJMMABECSBQC-CYBMUJFWSA-N 436.314 5.318 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1ccccc1SCC(=O)Nc1ccc(C)cc1 512862734 WGVNQYAGBFWWGB-UHFFFAOYSA-N 445.544 5.249 30 20 IKED C[C@@H](Sc1nc2c(cc1C#N)CCCC2)c1nc(O)c2c(-c3ccccc3)csc2n1 514736824 CYLQZMHEFXWUPQ-CQSZACIVSA-N 444.585 6.063 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(Sc3nncs3)cc2)c1 516206041 WAEJXRSLTHONOP-UHFFFAOYSA-N 444.541 5.392 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12)c1nc2ccccc2o1 517280383 MIHDDSORLFDIPT-IBGZPJMESA-N 447.450 5.304 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)c(C)c2c1 517605456 DWMBLGDYNNQTTG-IBGZPJMESA-N 429.303 5.564 30 20 IKED Cc1nc(NC(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)sc1SCC#N 517979041 LPSMAJPQQBCKPZ-KRWDZBQOSA-N 447.557 5.818 30 20 IKED COc1cc(F)c(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1OC 523954329 YMMBFOFKOVEFHO-UHFFFAOYSA-N 426.831 5.413 30 20 IKED CN(CC(C)(C)C)C(=O)c1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 525501157 OWMYKDPNMHLJHN-UHFFFAOYSA-N 441.531 5.721 30 20 IKED Cc1cccc([C@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)n1 532228430 BSIPBWSDGVHSTE-RUZDIDTESA-N 426.520 5.404 30 20 IKED Cc1ccc(C(=O)N[C@@](C)(C#N)CCc2ccccc2)cc1NC(=O)Nc1ccccc1 533367415 MAAYPCGZLOUHQZ-AREMUKBSSA-N 426.520 5.284 30 20 IKED C=CCN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1 533778513 XZIFBFYRHFUJKI-UHFFFAOYSA-N 445.510 6.035 30 20 IKED C=C[C@@H](CC(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1)c1ccccc1 534676379 DEDFUVQLSZRZHZ-AWEZNQCLSA-N 441.318 5.334 30 20 IKED COc1ccccc1[C@@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccccn1 536350962 OJVVCGUCWAEXBH-HHHXNRCGSA-N 449.510 5.060 30 20 IKED Cc1nnc(-c2cccc(NC(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)c2)n1C 536399490 IWTJWFGFCHTTLH-UHFFFAOYSA-N 443.894 5.360 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3[nH]c(-c4cccc(OC)c4)nc3C)n2)cc1 538980912 RXQQPCCXENGMJO-LJQANCHMSA-N 444.516 5.016 30 20 IKED Fc1ccc([C@H](CC(F)(F)F)NCc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 539279049 JJLJYLSIHGFZAR-HNNXBMFYSA-N 433.327 5.678 30 20 IKED Cc1cc(NC(=O)N[C@@H](c2ccc(Cl)cc2)c2ccccc2Cl)nn1CCC#N 540814825 GVFNCFNHXMDWBF-FQEVSTJZSA-N 428.323 5.323 30 20 IKED CCCCSc1ccc(Cl)cc1C(=O)N[C@H](C#N)c1cc(OC)c(OC)c(OC)c1 542522619 OKJFLLCAQUQALH-QGZVFWFLSA-N 448.972 5.253 30 20 IKED CN(C(=O)NCc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 542758125 RVWUYFFHEFNJEP-AZGAKELHSA-N 443.522 5.426 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1 543491524 SGWOCZHHPQPHRA-DHLKQENFSA-N 430.479 5.448 30 20 IKED C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 549645357 SFUQFTUENRHSRZ-GOSISDBHSA-N 433.021 5.053 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1)c1ccccc1 550874983 NDCQTMRWFAYXSS-VGOFRKELSA-N 433.577 5.119 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1ccc(C2(C#N)CC2)cc1 551383796 CEESXPJJHGOGEQ-UHFFFAOYSA-N 426.360 5.552 30 20 IKED Cc1ccc([C@@H](NC(=O)CNc2ccccc2SC[C@@H](C)C#N)c2cccs2)cc1 553010677 VAWZAMIGONHKPM-MHECFPHRSA-N 435.618 5.626 30 20 IKED FC(F)(F)c1ccc(-c2nc(CN3CCC(C(F)(F)F)(C(F)(F)F)C3)co2)cc1 559396196 FFSDDAAVTNEJKH-UHFFFAOYSA-N 432.286 5.677 30 20 IKED O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1cnn(-c2ccccc2)c1C(F)(F)F 563565815 PBLZPXLWAWFTSU-UHFFFAOYSA-N 449.301 5.118 30 20 IKED Cc1ccc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1NC(=O)c1ccccc1 575914395 HXJQTJDGPSTWRH-UHFFFAOYSA-N 448.482 5.559 30 20 IKED CC(C)(C)c1nn(-c2ccccc2Cl)cc1CN1CCC(C#N)(c2ccccn2)CC1 583511873 MIZCIMHLWLYOSK-UHFFFAOYSA-N 433.987 5.276 30 20 IKED C=CCN(C(=O)CCSCc1nc(O)c2c3c(sc2n1)CCCC3)c1ccccc1 590552830 YSZJPRVZUYXOAS-UHFFFAOYSA-N 439.606 5.118 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1 604243894 KKGXJBSYBQAQCX-QHCPKHFHSA-N 435.527 5.638 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(OCc4cccnc4)cc3)cc2)c1 609063576 DRMUMXCOKNODCY-UHFFFAOYSA-N 435.483 5.364 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3c[nH]c4cc(Cl)ccc34)cc2F)c1 609105022 SFJREEICWIVGAZ-UHFFFAOYSA-N 433.870 5.592 30 20 IKED CCC(CC)CN(CCC#N)C(=O)CCc1ncc(-c2ccccc2Br)o1 609189368 JLXARLRBOXOOFA-UHFFFAOYSA-N 432.362 5.215 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC 609209676 IMJSKTLNVWMXII-QGZVFWFLSA-N 431.492 5.641 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 609402298 GMRMQZVYJVDYFF-SFHVURJKSA-N 448.375 5.301 30 20 IKED N#Cc1ccccc1COc1cccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)c1 609424713 NSMIDKSECJHOSO-UDWIEESQSA-N 426.497 5.762 30 20 IKED N#C[C@H](NC(=O)c1sc2cccc(Cl)c2c1Cl)c1ccccc1Br 609590858 GONNAWPZUGOPTE-LBPRGKRZSA-N 440.149 5.965 30 20 IKED Cc1cc(C)cc(-c2nnc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)s2)c1 609648262 SUYKYDRSBKFXQW-UHFFFAOYSA-N 427.489 5.133 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(-c3ccc(F)cc3C)c(F)c2)n1 609781216 CUDLJTKYFLCAFU-KRWDZBQOSA-N 426.444 5.064 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)CCCCOc3cccc(C#N)c3)s2)cc1 610050986 VRBUWILGKGPEQQ-HXUWFJFHSA-N 447.604 6.067 30 20 IKED Cn1cc(-c2csc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)n2)cn1 610184339 SMGUWNGHYPTYNQ-UHFFFAOYSA-N 435.896 5.113 30 20 IKED Cc1[nH]nc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1-c1cccc(Cl)c1 610354577 MYOHPBMIYUESFP-UHFFFAOYSA-N 429.867 5.350 30 20 IKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 611839109 BLVAKPMLAVZODC-JPYJTQIMSA-N 449.942 5.029 30 20 IKED N#C[C@H](C(=O)c1ccc(OC(F)F)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346392 IAGSWFWFITUJPP-CQSZACIVSA-N 439.270 6.208 30 20 IKED C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618450078 KXIJGSGEFIIONE-YUSALJHKSA-N 436.318 5.095 30 20 IKED N#C[C@@H](C(=O)c1ccc(NC(=O)C2CC2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 642282123 MZEOGWNDORJFOT-HNNXBMFYSA-N 429.423 5.154 30 20 IKED CC(C)c1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c2cnn(C(C)C)c2n1 642282319 CVJKNLDODKWBHB-OAHLLOKOSA-N 436.466 5.370 30 20 IKED C=CCn1c(SCCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1cccc(C)c1 644492716 QFTROUKEOJJDTG-UHFFFAOYSA-N 447.391 5.867 30 20 IKED C=CCn1c(SCCC(=O)N[C@@H]2CCCc3ccccc32)nnc1-c1cccc(C)c1 644492780 VIFKOGKJLPTXGK-JOCHJYFZSA-N 432.593 5.116 30 20 IKED C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)c2ccccc12 673238192 AQYRIJJJITYFHS-RWMBFGLXSA-N 436.371 5.812 30 20 IKED O=C(c1sc(-c2ccccc2)nc1C(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 677756602 IJVZOJUDHNMRLV-UHFFFAOYSA-N 444.347 5.705 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 680968676 UYEIHHNKWDKKAV-IIRVCBMXSA-N 433.314 5.233 30 20 IKED FC(F)(F)c1ccc(-c2n[nH]cc2CN2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1 683831830 GEQGNCBQMZVFIE-CHWSQXEVSA-N 431.302 5.268 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 728148201 XUCNKQCTSYGYHH-SBUREZEXSA-N 441.487 5.205 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1csc(-c2ccc(O)cc2)n1 728604653 GJQHFAGBWKJORA-UHFFFAOYSA-N 447.329 5.246 30 20 IKED C=C(C)CN1CCC(NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)CC1 729976267 ZPMWFCAMCQDKJQ-UHFFFAOYSA-N 437.634 5.359 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1nc2cc(F)ccc2s1 730417503 NYKOVFZHMHIFKO-HNNXBMFYSA-N 425.872 5.553 30 20 IKED N#C[C@@H](C(=O)[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1)c1nc2ccccc2o1 730690438 TYPGITPMFSPLFM-AOMKIAJQSA-N 437.282 6.131 30 20 IKED Cc1cc(/C=C\C(=O)c2ccc(OCc3nccn3C)cc2)ccc1Oc1cccnc1 732714681 WUBOVZOPYBKUSJ-WZUFQYTHSA-N 425.488 5.391 30 20 IKED CC[C@H](C#N)Oc1cc(CNCc2c(-c3ccccc3)nc3sccn23)ccc1OC 733332994 ALYJFYHZXLQUKQ-LJQANCHMSA-N 432.549 5.042 30 20 IKED N#C[C@@H](C(=O)CCCOc1cccc(Cl)c1Cl)c1nc(-c2ccncc2)cs1 734082743 GLSBBPTXGMWFMH-AWEZNQCLSA-N 432.332 5.547 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCC(C(F)(F)F)(C(F)(F)F)C3)c2)s1 740059629 LJRMHFZATWCKCB-UHFFFAOYSA-N 447.404 5.313 30 20 IKED CC(=NNc1nnc(-c2ccccc2)n1-c1ccccc1)c1c(Cl)nc2sccn12 741848761 ZQDZPUMFYFOENK-UHFFFAOYSA-N 433.928 5.133 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C 742630405 IUKDDEWMPWGRLE-NRFANRHFSA-N 449.551 5.174 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)c3ccccc3C(F)(F)F)n2)cc1 744063139 YDOSDKCPXIRWTF-DYVFJYSZSA-N 430.451 5.817 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(-c3cccc(OC)c3)cc2)c1 745822162 YBCUCDRBMMJEPG-HSZRJFAPSA-N 429.520 5.043 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)Nc1ccccc1 747112054 NIQDJDZJABJZPJ-INIZCTEOSA-N 430.316 5.007 30 20 IKED Cc1ccc(Oc2ccc(Cl)cc2NC(=O)COC(=O)c2sccc2C#N)cc1 748097950 GGAJKTBLICRUEF-UHFFFAOYSA-N 426.881 5.169 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)cc1 748617655 AGLVHPXGLGBSOD-YTFSRNRJSA-N 431.333 5.847 30 20 IKED N#CC1(NC(=O)c2cc(-c3nc4ccccc4s3)nc3ccccc23)CCSCC1 756027279 GULAYABVCDKAHC-UHFFFAOYSA-N 430.558 5.031 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCO2)c1 761783677 VFODHYHTJFYBCQ-KRWDZBQOSA-N 443.347 5.201 30 20 IKED C[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1)c1cccc(C(=O)c2ccccc2)c1 762027639 YVHIKQQSPASGFS-AOMKIAJQSA-N 430.891 5.022 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 763930556 NJWZNFUKTCWIOW-XMMPIXPASA-N 426.476 5.447 30 20 IKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)OCc3ccccc3C(C)(C)C#N)cc2)cc1 768009539 XQSPRDMEZZKTQQ-UHFFFAOYSA-N 447.556 5.127 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 772117814 MMVYYQKQUXLSCA-MJGOQNOKSA-N 439.581 5.185 30 20 IKED CC(C)(O)c1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 775518568 CYRZCOHKMNGHNQ-QFIPXVFZSA-N 433.939 5.545 30 20 IKED C[C@H](OC(=O)c1csc(-c2cccc3ccccc23)n1)C(=O)Nc1ccccc1C#N 778190183 DCBUKZIEULSYRW-HNNXBMFYSA-N 427.485 5.019 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCOc3ccc4ccccc4c3)n2)cc1 780327570 JDWVAKOKQPJRBR-JOCHJYFZSA-N 428.513 5.617 30 20 IKED Cc1sc2ncn(N=Cc3c(Cl)ccc4cccnc34)c(=O)c2c1-c1ccccc1 781118736 QKDKVLCDDPLLKE-UHFFFAOYSA-N 430.920 5.517 30 20 IKED CC(=O)Nc1ccc2c(CN[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc(=O)oc2c1 782231759 OFSSRPFBXVRJHE-QGZVFWFLSA-N 437.499 5.141 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OC(F)(F)Cl)cc3)n2)cc1 786362880 ZTAPKHRJUGYFDY-INIZCTEOSA-N 429.835 5.340 30 20 IKED CC[C@@H](NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1)c1ccccc1 787041332 OSIDHLHPJYNXRC-JWQCQUIFSA-N 440.499 5.271 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2cnn(C(C)C)c2C)cs1)c1ccc(F)cc1F 787186346 HZUDYVMRDHAHQE-VURMDHGXSA-N 430.480 5.088 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3ccc(-c4ccccc4C(F)(F)F)o3)o2)cc1 789196331 OIVWMBXIQXVYBZ-UHFFFAOYSA-N 439.349 5.244 30 20 IKED C[C@@H]1CC[C@@H](N2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccsc2)C1 790739152 XUWXOCLJILFVHL-DDUZABMNSA-N 431.558 5.036 30 20 IKED COc1ccccc1-c1ncc(/C=C\C(=O)c2ccc(Br)cc2Cl)cn1 792884967 GQOSPKHTDRMIKR-TWGQIWQCSA-N 429.701 5.464 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 793126115 RYRJKLAQJZGQNE-DFBJGRDBSA-N 440.543 5.593 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2cnn(-c3ccc(C(F)(F)F)cc3)c2)S1 794687656 UGEBBASCALXFAR-ZDLGFXPLSA-N 442.466 5.400 30 20 IKED C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797570486 HFYRVHLRIIZQAE-ZYHUDNBSSA-N 441.778 5.500 30 20 IKED Cc1cc(C(=O)COC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)c(C)n1CC(F)(F)F 801897726 JGCRAGZJKMCQMN-MRXNPFEDSA-N 439.327 5.123 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 802040040 DVKRZCMLKCZREB-LSDHHAIUSA-N 446.372 5.378 30 20 IKED CC(=O)c1oc2cc(C)ccc2c1CC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 805185280 YIQZEYGOTDCBIQ-UHFFFAOYSA-N 428.513 5.403 30 20 IKED CN(C)CCn1ncc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1-c1ccccc1 806450170 JNLPZUOXKFJTQV-RUZDIDTESA-N 449.558 5.019 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@H](c4ccccc4)OC3=O)cc2Cl)cc1 809619697 FORJIISKTPTAAR-SIKLNZKXSA-N 432.863 5.247 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2csc(-c3ccccc3F)n2)ccc1OC 812723643 KGDSKZFHSGGWFI-DOTOQJQBSA-N 425.529 5.490 30 20 IKED CC[C@H](Cc1ccccc1Br)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813211756 PPMXTJAEIARILE-DOMZBBRYSA-N 425.248 5.308 30 20 IKED N#C[C@H](C(=O)CCc1cc(C(F)(F)F)ccc1Br)c1nc2ccccc2[nH]1 815898171 VNZRPDXKMFFDEQ-CYBMUJFWSA-N 436.231 5.153 30 20 IKED COc1ccc(-c2nc(SCCOc3ccc(Cl)cc3Cl)nc(O)c2C#N)cc1 824935637 JUTYJORDFGWVGI-UHFFFAOYSA-N 448.331 5.207 30 20 IKED C[C@H](OC(=O)c1sc(-c2ccco2)nc1-c1ccccc1)C(=O)Nc1ccccc1C#N 900282273 OTAVOSCJQRUJQB-HNNXBMFYSA-N 443.484 5.126 30 20 IKED N#Cc1ccc(OCc2nc(-c3ccc(C(F)(F)F)s3)no2)cc1Br 904967526 IMGZTBPRUQULDQ-UHFFFAOYSA-N 430.205 5.030 30 20 IKED CN(C)c1ccc([C@H](CNC(=S)Nc2ccccc2C#N)c2c[nH]c3ccccc23)cc1 915995180 IZWDSMJFEDTRKR-QFIPXVFZSA-N 439.588 5.224 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(C3CC3)C2=O)c1 916215540 XMNAOZJKHQBHAJ-IBGZPJMESA-N 427.957 5.080 30 20 IKED CCN(CC)c1ccc2cc(C(=O)/C=C\c3ccc(OC(F)F)c(OC)c3)c(=O)oc2c1 917615675 XWRGPVPAJPUSOD-POHAHGRESA-N 443.446 5.145 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccc(Cl)cc2)C2CC2)cc1 918415083 MQJYPBHDQQLUDX-XMMPIXPASA-N 443.934 5.125 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCC(=O)c3ccc4c(c3)CCCC4)n2)cc1 920141956 NWCQUUZNYLHGNT-QFIPXVFZSA-N 439.540 5.400 30 20 IKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N=Cc1ccc(O)c(O)c1O 920833888 ZVMBWPMPPNXZLQ-UHFFFAOYSA-N 430.382 5.134 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3cccc4ncccc34)cc2)CCC1 1786345856 WMJMPMXZAZJDFC-IBGZPJMESA-N 427.548 5.124 30 20 IKED CC(C)[C@H]1CC[C@H](C(=O)Nc2ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc2)CC1 1791376130 RREXXFWGYOUGCR-GLRQKXCESA-N 449.595 5.295 30 20 IKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3c4ccccc4n4ccsc34)CCC2)cc1 1791577673 RPDBELNCNAOGAK-OAHLLOKOSA-N 449.601 5.220 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4c(Cl)cccc34)CCC2)cc1 1791730782 VUPQJWLZBNWZQG-UHFFFAOYSA-N 448.954 5.158 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ncc[nH]4)cc3)cc2)CCC1 1792154850 USFGGSOQIYSSDR-GOSISDBHSA-N 428.536 5.037 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3cnccc3c2)[nH]n1 1819305882 QOWAVLJEPADUJO-GGAORHGYSA-N 443.551 5.032 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2c[nH]c3cc(C)ccc23)n[nH]1 1823564935 CLKFTFHTEPRSRH-JKELMNDMSA-N 445.567 5.117 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cccc(C)n2)CC1 1823727984 RLWQIUYYJFYZKW-JHUUHBRDSA-N 437.628 5.015 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)c2ccc(O)cc2)CC1 1823753679 XPUXHUIFQXGDRO-GBXCKJPGSA-N 440.628 5.108 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cnc2Cl)CC1 1828823856 YDIMPHBOCRGIKW-IRLDBZIGSA-N 444.019 5.045 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(F)c(Cl)c2)CC1 1831376138 LAQJRZGVLUKRGL-FOIQADDNSA-N 438.946 5.064 30 20 IKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccccc2)[C@@H](C)CC)CC1 1831849390 XCYGRQPJNUDUKF-RWUBSVTLSA-N 436.640 5.240 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1cc(C(=O)NC2CC2)c2ccccc2n1 17275972 IFLFYIUJVJAWIL-UHFFFAOYSA-N 449.601 5.136 30 20 IKED Cc1nc(-c2ccccn2)sc1/C(O)=N/c1nnc(SCc2ccccc2)s1 21954647 AYVIBKQBCVWVFL-UHFFFAOYSA-N 425.564 5.294 30 20 IKED Cc1ccccc1N/C(S)=C(/C(=O)c1cc(F)ccc1F)[n+]1ccc2c(c1)CCCC2 22695761 RAQBVZDBTBAZRL-UHFFFAOYSA-O 437.535 5.490 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(Br)ccc1Br 63390582 SSCQGHGTMLRARU-UHFFFAOYSA-N 449.146 5.303 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 63950182 SQVRYKIWRJAVMJ-UHFFFAOYSA-N 449.535 6.214 30 20 IKED Cc1c(-c2ccccc2)sc(NC(=O)c2cccc(CC#N)c2)c1C(=O)N1CCCCC1 97365694 QPQRRDWVSVFONW-UHFFFAOYSA-N 443.572 5.668 30 20 IKED C[C@@](Cc1nc2ccccc2s1)(C(=O)Nc1cccc(OCC#N)c1)c1ccccc1 107965235 GHWQQKJJURPIKA-VWLOTQADSA-N 427.529 5.338 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCc2nc3ccccc3s2)cc1 108024104 FOASFYVVTUURGN-UHFFFAOYSA-N 429.520 5.469 30 20 IKED N#CCCCOc1cccc(/C=C(/c2nc3ccccc3[nH]2)c2nc3ccccc3s2)c1 110418810 YZXZJJDHKSPLCF-JZJYNLBNSA-N 436.540 6.444 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(c2ccc(Cl)cn2)CC1 195713580 SUVKMUPNUMRAJF-UHFFFAOYSA-N 447.926 5.062 30 20 IKED C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)o1 409819601 WMLNCBRHPBRMCS-WFBMQCHUSA-N 428.507 5.746 30 20 IKED Cc1nc(-c2ccc([C@@H](C)NC(=O)c3cnn(CCC#N)c3-c3ccccc3)cc2)cs1 428286845 SDBNIXVGRAWRQF-QGZVFWFLSA-N 441.560 5.387 30 20 IKED N#CCSc1cccc(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 430699953 KAPPVACBSVVWQD-UHFFFAOYSA-N 434.392 5.003 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@H](C(F)(F)F)OC(C)(C)C1 432863676 BWDXOYPPCPXRHE-FQEVSTJZSA-N 447.457 5.019 30 20 IKED CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 435866893 XUJJELQGXCBYPT-IBGZPJMESA-N 446.620 5.298 30 20 IKED COc1ccc(SCCCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 436108206 SSCUBDFRHUIPLP-UHFFFAOYSA-N 433.533 5.574 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)cc1F 437489374 HAQUDONVGQYBPR-OAQYLSRUSA-N 432.451 5.300 30 20 IKED CCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H](Cc1ccc(F)cc1)C(C)C 438046746 YEJIPGMOBLHPSD-GCJKJVERSA-N 427.589 6.341 30 20 IKED COc1ccc(C[C@@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)c2ccccc2)cc1OC 438862299 VGNUOKJWMDJPOV-BJKOFHAPSA-N 443.547 5.332 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 460378357 XGXCVLKATNXTAO-LJQANCHMSA-N 443.526 5.299 30 20 IKED C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CCC[C@H]1c1ccc(C)s1 460806570 WQJWKDQFSGVZNQ-QNWVGRARSA-N 434.609 5.811 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cccc1N1CCNC1=O 460933889 NZQXPJOLSZCKKK-UHFFFAOYSA-N 446.894 5.094 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)c1 463399075 XRPMQFCXIJVFTJ-UHFFFAOYSA-N 441.365 5.317 30 20 IKED Cn1c(Cc2cccs2)nc2cc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)ccc21 464480646 ZIJRZUXKOKZEGR-MRXNPFEDSA-N 440.450 5.129 30 20 IKED C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NCc1nnc(-c2cccc(C#N)c2)o1 471623273 ZLJSDHRPGFGCKS-HOTGVXAUSA-N 449.942 5.277 30 20 IKED O=C1C[C@@H](C(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c2ccc(F)cc2N1 474261436 ZHGFZGOLLHCLHW-ZBFHGGJFSA-N 448.338 5.080 30 20 IKED N#Cc1cccc(OCCCCC(=O)NCc2nc(-c3cc4ccccc4o3)cs2)c1 475711487 CBRSMMVTLZVMMQ-UHFFFAOYSA-N 431.517 5.293 30 20 IKED COc1cc(C(=O)N(C)c2ccccc2C#N)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 479688349 GQTKKODWQFRAQQ-UHFFFAOYSA-N 437.839 5.197 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@H](CC)c2cccc(Cl)c2)nnc1-c1ccco1 480088879 BGJDZGPXHZZWKB-QGZVFWFLSA-N 430.961 5.127 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(OCc4cscn4)c3)c2)cc1 483579819 QEHFSSUFVHQYIT-UHFFFAOYSA-N 427.485 5.638 30 20 IKED CC(C)(CNCc1cn(CCC#N)nc1-c1ccccc1)c1ccc(Br)cc1 500279676 NCTVUQFWAWUXLX-UHFFFAOYSA-N 437.385 5.294 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCCCC[C@@H]2c2noc(C)n2)cc1 500885836 IFTFNDQFWPFZLX-HXUWFJFHSA-N 447.495 5.200 30 20 IKED CC(C)c1nc([C@@H]2CCCCCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)no1 501364924 RPYREDCWXPKZNK-WMZOPIPTSA-N 427.574 5.736 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1cccc(COC(C)C)c1 502513948 DSTKAJGKAFXISW-UHFFFAOYSA-N 429.520 6.015 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)s2)cc1 503870872 IPKQEIOHCOATCV-UHFFFAOYSA-N 429.545 5.318 30 20 IKED Cc1cc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccccc2)CC3)nn1CCC#N 504293812 UDFKCLKUBZWPGM-LVZFUZTISA-N 433.515 5.393 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 505176191 HNIDTIHOAMSEIB-UHFFFAOYSA-N 444.494 5.075 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)N(C)Cc2ccccc2C)cc1 507809103 FITQTIKRFGVMKY-LJQANCHMSA-N 429.520 5.127 30 20 IKED C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 508738510 GLZJBXJKAWDJEJ-VGOFRKELSA-N 431.565 5.016 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)c1 509151185 JQRDTVZSSRANQK-UHFFFAOYSA-N 444.800 5.474 30 20 IKED C[C@@H](CC(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c1ccc(C(F)(F)F)cc1 512800466 CEGAUSATTYKBJL-AWEZNQCLSA-N 428.376 5.662 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1nc(-c2ccccc2)cs1 516714251 XSHLMACSUCIBDK-INIZCTEOSA-N 439.327 5.793 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccc(C(C)=O)cc4)o3)n2)cc1 517800676 ARQBCBFGOFBHJG-FQEVSTJZSA-N 442.496 5.771 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(COCc2ccccc2)cc1 518168454 HAQAEFCIYJJQCG-HXUWFJFHSA-N 445.588 5.977 30 20 IKED CN(Cc1ccc2ccccc2c1)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 518468529 UUJQYYNDGYMNGK-UHFFFAOYSA-N 435.483 5.101 30 20 IKED C[C@@H](NC(C)(C)CNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccc1 520498049 RWADCOXGLVIIJJ-LJQANCHMSA-N 429.589 5.569 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F 520678788 OEBUKTGDNOMAOW-OAHLLOKOSA-N 426.394 5.775 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1nc(-c3ccc(C#N)cc3)cs1)O[C@@H](C)C2 521676857 LWFYNVCMIQTVRQ-ADLFWFRXSA-N 445.544 5.146 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N(Cc3cccs3)C[C@H]3CCCO3)c2)cc1 522306227 AVLSBXGZVBTMJB-HSZRJFAPSA-N 432.545 5.020 30 20 IKED Cc1cccc(NC(=O)Nc2cccc(CNc3nc(C(F)(F)F)ccc3C#N)c2)c1 522408840 XFDUVRGYYWRTSZ-UHFFFAOYSA-N 425.414 5.537 30 20 IKED Cc1nc(-c2ccc(CNC(=O)c3occc3COc3cccc(C#N)c3)cc2)cs1 523288142 YYRDQRIXGPGDOK-UHFFFAOYSA-N 429.501 5.092 30 20 IKED Cc1ccc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1OCCC(C)C 525316937 ZKRFXIRAPIZZLD-UHFFFAOYSA-N 434.584 5.031 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)Nc2ccc(C(C)C)cc2)cc1 526095088 WKIUUEIIQLWZTM-UHFFFAOYSA-N 429.476 5.060 30 20 IKED Cc1ccc(NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1C(F)(F)F 527097861 ZUBWKGJVRHCYQA-UHFFFAOYSA-N 439.393 5.255 30 20 IKED Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)n1 531713404 IUILWOAXVALNTP-HSZRJFAPSA-N 430.483 5.349 30 20 IKED COc1ccc2cc(CN(C)CC(=O)Nc3ccccc3S[C@H](C)CC#N)ccc2c1 532893543 LHODFHJMNPDYTH-GOSISDBHSA-N 433.577 5.313 30 20 IKED Cc1cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)n(C2CCOCC2)n1 534890132 STMLSJATDMLFFP-UHFFFAOYSA-N 436.899 5.113 30 20 IKED COc1ccccc1[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccn1 536328289 KFUZHSDKRJIQOD-HXOBKFHXSA-N 432.549 5.253 30 20 IKED C=CCn1c(SCc2nnc(C)s2)nc2sc(-c3ccccc3)c(C)c2c1=O 538011335 LBEYSPPQDJEXLD-UHFFFAOYSA-N 426.592 5.072 30 20 IKED N#Cc1ccccc1-c1ccc(CNCc2cn(-c3ccccc3)nc2-c2cccnc2)cc1 540204820 WBPHBTHQYDOVGR-UHFFFAOYSA-N 441.538 5.763 30 20 IKED CNc1ccc(C#N)cc1NC(=O)c1cc2ccccc2cc1OCc1c(C)noc1C 552239173 MAJQAXFLLLNOFZ-UHFFFAOYSA-N 426.476 5.189 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1 554443469 YBRKMWSXJRQRQI-HNNXBMFYSA-N 437.487 5.686 30 20 IKED N#Cc1cc(-c2nc(-c3ccc(Cn4cnc5ccccc54)cc3)no2)cnc1C(F)(F)F 559943950 CQHGOTKZUYEAHC-UHFFFAOYSA-N 446.392 5.087 30 20 IKED C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)CCCCOc1cccc(C#N)c1 561066900 GUDVJJMXPQLVPF-VGOFRKELSA-N 446.469 5.115 30 20 IKED N#Cc1cccc(COc2cccc(CN[C@H](c3cncc(Br)c3)C3CC3)c2)c1 566517554 QKNFNJTVXLDHCB-DEOSSOPVSA-N 448.364 5.536 30 20 IKED CCO[C@H](c1noc([C@@H]2CC[C@@H](C(F)(F)F)C2)n1)c1ccc(F)cc1C(F)(F)F 566824828 XFFCADHJTPDVCI-RULNRJAQSA-N 426.332 5.799 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3ccc(Cl)c(C#N)c3)C2)n1 579787227 YVCRUUPLVRBPNI-INIZCTEOSA-N 437.952 5.364 30 20 IKED Cc1cccc(OC(F)F)c1NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 588040406 PSVCDWDLGCFCKX-UHFFFAOYSA-N 443.290 5.652 30 20 IKED N#Cc1ccc(C2(c3nc(Cc4nc5cc(C(F)(F)F)ccc5s4)no3)CC2)cc1 589084568 OBSUQPXIDBMOSC-UHFFFAOYSA-N 426.423 5.240 30 20 IKED C=C(C)COc1cccc(NC(=O)CCc2nc(-c3cc(Br)cs3)no2)c1 589384673 YTNKOIUBLRXHNC-UHFFFAOYSA-N 448.342 5.087 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1 589741632 MBSJBNAXTYOTGU-GOSISDBHSA-N 436.487 5.242 30 20 IKED C=CCn1c(SCC(=O)c2cc(OC)c(OC)cc2Cl)nnc1-c1cccc(C)c1 597137755 RJLBRMRBMXIPLR-UHFFFAOYSA-N 443.956 5.085 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cn2)c1 603621932 DPEKIFULZXYGNB-UHFFFAOYSA-N 448.507 6.021 30 20 IKED COc1cc([C@@H](C)NC(=O)c2ccc(COc3ccccc3C#N)o2)ccc1OCC(C)C 603875554 HNCUIFTXJQHRJO-GOSISDBHSA-N 448.519 5.265 30 20 IKED Cc1nc(-c2cccs2)sc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 603991974 KBYAQOJSXLHPRF-UHFFFAOYSA-N 433.583 6.131 30 20 IKED N#Cc1cccc(COc2cccc(NCc3ccc(C(=O)Nc4ccccc4)cc3)c2)c1 604006926 AMYQHMDDAGZORT-UHFFFAOYSA-N 433.511 6.002 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 604130098 QHNGCBMZENKQRN-FQEVSTJZSA-N 428.536 5.215 30 20 IKED CCN(C(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c12)[C@H](C)c1ccc(C#N)cc1 609020471 MMXXBUYUGCRJCK-MRXNPFEDSA-N 428.492 5.701 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cnc(-c4ccccn4)s3)cc2Cl)c1 609062523 TVISLDTTWYWBJX-UHFFFAOYSA-N 446.919 5.561 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1Cl 609163847 AWFRBAAYGRMYKW-DEOSSOPVSA-N 429.951 5.844 30 20 IKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cnn1Cc1ccccc1 609164657 TXHYLGLHRJFFDP-QHCPKHFHSA-N 440.934 5.801 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2SC[C@H](C)C#N)c(OC)c1 609403165 XYMYJXRAFZPUHY-OXQOHEQNSA-N 425.554 5.325 30 20 IKED CC(C)C[C@H](C)Oc1cc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)ccn1 609556012 RHQGFWDWAJGLLQ-ZWKOTPCHSA-N 426.586 5.611 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCS[C@H](c4ccccc4)C3)c2)c1 609807921 XYLQLSHBCOONIL-QHCPKHFHSA-N 442.544 5.133 30 20 IKED CCCn1c(SCc2nnc(-c3cccc(C#N)c3)o2)nc2ccc(C(F)(F)F)cc21 610216851 CLEAGVZLFVBOOZ-UHFFFAOYSA-N 443.454 5.679 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCC[C@H]2c2ccccc2Br)c1 610669730 OATVKFWUJNOHFG-NRFANRHFSA-N 427.342 5.234 30 20 IKED C=CCN(C(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C)c1ccccc1 614559556 BLLLKCLUPMGHCT-UHFFFAOYSA-N 428.916 5.934 30 20 IKED COc1cc2c(cc1OC)[C@@H](Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)CC2 630061541 XOVUSIVQJNZVBA-HNNXBMFYSA-N 437.355 6.093 30 20 IKED CN(C)[C@H](C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1c(F)cccc1Cl 673637148 AJOXKDIWSRWRLE-YHAQOWFVSA-N 448.810 5.108 30 20 IKED N#C[C@H](C(=O)c1sc(-c2ccccc2)nc1C(F)F)c1nc(-c2ccccc2)cs1 677792073 VUOMWDSGFSMUOA-OAHLLOKOSA-N 437.496 6.361 30 20 IKED O=C(c1cnc(-c2ccc(F)c(F)c2)s1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 679467667 LCMAHADKQOHKOF-UWVGGRQHSA-N 444.347 5.291 30 20 IKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(C)c(C)c2)c1 726572292 XQAPSSWYNOTCNP-UHFFFAOYSA-O 434.972 5.748 30 20 IKED N#CCOc1ccc(CNC(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)cc1 727677142 YYNXXJLMHFOJRK-UHFFFAOYSA-N 427.287 5.618 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 728390039 DWQPNBVFYGLIOG-GOTSBHOMSA-N 425.488 5.440 30 20 IKED Cn1c(NN=Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)nnc1-c1ccccc1 731150630 BYVMVXVQDVWFOV-UHFFFAOYSA-N 433.947 5.200 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Nc1ccc(OCc2ccccn2)c(Cl)c1 732919267 ZSGIHZIBQRODRL-KRWDZBQOSA-N 441.984 5.391 30 20 IKED COc1ccc(OC(F)F)c(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)c1 732924219 UHLRXOJRTFAICP-UHFFFAOYSA-N 445.278 5.033 30 20 IKED C=CC[C@H](NC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1)c1ccncc1 734458451 ZNAHVFZHQUWJQQ-FQEVSTJZSA-N 436.968 5.550 30 20 IKED COc1cc(COC(=O)c2ccc3ncsc3c2)ccc1OCc1cccc(C#N)c1 735125357 PATSADBZCKFWKA-UHFFFAOYSA-N 430.485 5.113 30 20 IKED CC(C)N(Cc1cc(Cl)ccc1OCC#N)C[C@H](O)COc1cccc2ccccc12 735309105 GBDFRGYJDQFDRQ-QFIPXVFZSA-N 438.955 5.046 30 20 IKED C[C@@H]1CN(c2ccccc2NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C[C@@H](C)O1 740441859 ZIBQWABBIJUIIL-QZTJIDSGSA-N 446.576 5.222 30 20 IKED C=CCC[C@H](NC(=O)N1CCC(OC[C@H]2CCCO2)CC1)c1ccc(C(F)(F)F)cc1 749869708 GJWDIKIAUUMYFR-RTWAWAEBSA-N 440.506 5.082 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1 752618741 WFVGXMFEDJNDQA-QGZVFWFLSA-N 446.617 5.097 30 20 IKED C[C@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)c1ncc(-c2ccc(Cl)cc2Cl)o1 753330398 XSOLERLASLLJCS-LBPRGKRZSA-N 444.274 5.419 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(=Cc3ccccc3F)CC2)cc1 757198340 OJXMMJWRBVNYBO-RUZDIDTESA-N 425.507 6.192 30 20 IKED Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)[C@H](C#N)C(=O)NC2CCCC2)cc1 757873304 ABNZVQAEBJYVGG-NRFANRHFSA-N 443.572 5.096 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1ccc(Cl)c([N+](=O)[O-])c1 760148259 VBDBZPUFEQZUNY-UHFFFAOYSA-N 434.880 5.036 30 20 IKED N#C[C@H](C(=O)Cc1ccn(-c2ccc(F)cc2)n1)c1nc(-c2ccc(Cl)cc2)cs1 768764879 FQGFYHKQOGYHOQ-LJQANCHMSA-N 436.899 5.207 30 20 IKED C[C@H](N[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21)c1ccc(C#N)cc1 769698773 WNFQIEBIEPMVIF-QCIUDXLNSA-N 433.552 5.112 30 20 IKED Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1NC(=O)OC(C)(C)C 772055260 DFPPVPMRWTVSRX-QHCPKHFHSA-N 441.531 6.250 30 20 IKED C#CC[C@H](N[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21)c1ccccc1 773114851 KXKGCDHJZZTZFT-QHWMMSMNSA-N 432.564 5.244 30 20 IKED COc1ccc2c(c1)C(=NO[C@@H](C)c1nnc(-c3ccc(Cl)cc3Cl)o1)CCO2 774845103 HWGZJSPVLPROQR-NSHDSACASA-N 434.279 5.316 30 20 IKED C#CCC1(C(=O)Nc2cc(OCC)c(NC(=O)c3ccccc3)cc2OCC)CCCCC1 788430132 HEGCHBCPLBQYBQ-UHFFFAOYSA-N 448.563 5.649 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)c1ccc(OC(=O)c2cc(-c3cccc(C#N)c3)no2)cc1 791010566 GHTBDDDFJSVFCG-HNNXBMFYSA-N 433.464 5.018 30 20 IKED C=C(C)CN(Cc1ccccc1)Cn1nc(-c2ccncc2)n(CC(F)(F)F)c1=S 794649526 AGZBVNDNYJKQAS-UHFFFAOYSA-N 433.503 5.074 30 20 IKED Cc1cc([C@H]2CCCN2C(=O)Nc2ccccc2O[C@@H](C)C#N)ccc1Br 797643103 SQSYAADIBVJAPS-HNAYVOBHSA-N 428.330 5.417 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C 799216778 XORMOBKRUJEWFS-YJBOKZPZSA-N 434.606 5.142 30 20 IKED CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 802678148 TWDZZHHRPPTMPP-HSZRJFAPSA-N 449.986 5.076 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(Cc2cccs2)C(=O)N[C@@H]1c1cccc(C#N)c1 840197713 XIJBTWLQOYNLFG-JOCHJYFZSA-N 447.947 5.540 30 20 IKED N#CCCN(C(=O)COC(=O)c1sc2cccc(Cl)c2c1Cl)c1ccccc1 913326855 GRSBCCXJWKBEGD-UHFFFAOYSA-N 433.316 5.312 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)OCc2ccc(Cl)c(Cl)c2)CC1 914956846 MTXIQWGNVPHQJS-UHFFFAOYSA-N 446.290 5.073 30 20 IKED COc1ccccc1-c1nnc(S)n1N=Cc1cn(Cc2ccccc2)c2ccccc12 916277849 UOYXUGTYIVGLLI-UHFFFAOYSA-N 439.544 5.128 30 20 IKED Oc1c(Cl)cc(Cl)cc1C=Nn1c(S)nnc1-c1cc(Cl)ccc1Cl 916334034 ZSDOQKLLQXCRKI-UHFFFAOYSA-N 434.135 5.435 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc2c(c1)-c1ccccc1C2 916887046 KRGBIYXNNAIXTB-OAQYLSRUSA-N 434.467 5.534 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(OCCC(C)C)cc1 916902701 IVVHJDDDSPJQRE-SFHVURJKSA-N 428.916 5.043 30 20 IKED CC[C@@H](C)c1ccccc1OCC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916907999 KMVBWNBGWJYKCL-DENIHFKCSA-N 442.515 5.719 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(NC(=O)C(C)(C)C)cc2C)cc1 916954891 LHEWFGUKNVUYSU-RDTXWAMCSA-N 439.581 5.516 30 20 IKED C[C@H](NC(=O)c1ccccc1NC(=O)c1cccc(Br)c1)c1ccc(C#N)cc1 917094299 YUKRGMHXOSLWDM-HNNXBMFYSA-N 448.320 5.064 30 20 IKED CNC(=O)C[C@H]1SC(=Nc2ccc3ccccc3c2)N([C@@H](C)c2ccc(C)s2)C1=O 920168548 MJWVFAZZXSFJOF-MGPUTAFESA-N 437.590 5.039 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1nc(-c2ccncc2)cs1 920265345 NONSXOOXODNTJE-QGZVFWFLSA-N 436.949 5.401 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC2CCN(Cc3ccccc3)CC2)cc1 920278948 GBHHYTVGEGOBKA-HHHXNRCGSA-N 438.575 5.376 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)ccc3F)CCC2)cc1 1786365858 SUYKBYFKUHJSMX-UHFFFAOYSA-N 444.934 5.210 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc(Cl)c3)CCC2)cc1 1786679710 KHAKSDLJDAQGBB-UHFFFAOYSA-N 432.948 5.146 30 20 IKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3oc4ccccc4c3C)cc2)CCC1 1788968857 JCIYPBKYDBCGNU-JOCHJYFZSA-N 446.547 5.062 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc4nc(C)ccc4o3)CCC2)cc1 1789451939 XCDHSKVNDAQMCB-NRFANRHFSA-N 443.547 5.652 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc4ccccc4n3C)CCC2)cc1)C(F)(F)F 1791303338 UOKFLVVHVUQLSQ-UHFFFAOYSA-N 441.453 5.045 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(Cl)cc4)nn3C)CCC2)cc1 1791588854 CDYDYUYSXRZEOW-UHFFFAOYSA-N 448.954 5.064 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c(C(C)(C)C)c2)[nH]n1 1819553200 ZSFWNSMUGUWGOA-IBGZPJMESA-N 439.604 5.334 30 20 IKED CC(C)[C@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)CC1 1822104129 JMJCQZGPXLPGET-JTAQYXEDSA-N 447.583 5.050 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)n[nH]1 1822572642 RGAFVOGVNFKRFL-VWPQPMDRSA-N 434.584 5.198 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(F)c2)CC1 1830504763 YUSRLJSORLKACI-XMMPIXPASA-N 426.576 5.136 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)cc2Cl)CC1 1832606933 BRCPUCLTUWUECS-HXUWFJFHSA-N 438.946 5.093 30 20 IKED Cc1ccc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)o2)cc1 10188844 LBSFHNUTDNQSLH-UHFFFAOYSA-N 435.553 5.181 30 20 IKED C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccccc3Br)o2)c1C 16049419 UENGFJPWJNWZQB-UHFFFAOYSA-N 432.343 5.078 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2cc(C)ccc2C)cc1 22729637 IRSMKPWZPBIAJS-UHFFFAOYSA-O 430.018 5.919 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H](c2ccc(OC)cc2)C(C)C)cc1OC 24082882 GWFDJAPIBSWDMU-OAQYLSRUSA-N 434.374 5.518 30 20 IKED Cc1nc(SCC(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)c(C#N)c(C)c1C 63991596 VXLJOCDCDLAYIN-UHFFFAOYSA-N 441.560 5.007 30 20 IKED N#CCCCOc1cccc(/C=C2/CC/C(=C/c3cccc(OCCCC#N)c3)C2=O)c1 207617706 LCORAJQXUVEGRS-BOYKQRMESA-N 426.516 5.882 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)cc1OC 210996409 MEMASFITGUMNAQ-JYHGAKRHSA-N 448.563 5.235 30 20 IKED C=CCn1c(Sc2nc(C)nc3sc(-c4ccccc4)cc23)nnc1-c1cnccn1 301727441 VTVSUYMEIOEVEH-UHFFFAOYSA-N 443.561 5.052 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1 302819203 VKOULCNXWRLKMZ-OAQYLSRUSA-N 434.561 5.957 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(N4CCCC4=O)c3)cc2Cl)c1 303163891 ICGORPBDWXYWOW-UHFFFAOYSA-N 445.906 5.170 30 20 IKED Cn1c(C(F)F)nc2cc(C(=O)Nc3ccc(OCC(F)F)c(C(F)(F)F)c3)ccc21 409992115 KPQNEEFYQQRZOU-UHFFFAOYSA-N 449.326 5.426 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2cccc(F)c2-c2nc[nH]n2)cc1Cl 428204104 IBPLWPFHHHGAMC-UHFFFAOYSA-N 433.830 5.180 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cc(Br)cc(Br)c2)s1 430605996 UEMFRSSDAVAQPC-LBPRGKRZSA-N 442.176 5.456 30 20 IKED Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 435773579 WAQXNVJDHGLYCF-ZDUSSCGKSA-N 440.208 5.861 30 20 IKED CC[C@H](C)[C@@H](C)N(C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C1CC1 439573488 OXWQMOPSEKFYQN-JKSBSHDWSA-N 437.971 5.360 30 20 IKED C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CC1 441897971 NYLQYMORYTWHOA-CZIWCDLHSA-N 445.441 5.003 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1ccc(C)c2ncccc12)c1ccc(C(F)(F)F)cc1 442081282 SCKJZIXCRGJKQH-IBGZPJMESA-N 441.453 5.324 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(CNC(=O)C(C)(C)C)cc3)n2)cc1 442682511 UGADYTIRSXAQRO-HXUWFJFHSA-N 431.561 5.271 30 20 IKED COCCc1cc(O)ccc1NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 445241096 WMLGQYXOYALNHU-UHFFFAOYSA-N 437.883 5.542 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Nc2cnn(C3CCCC3)c2C)cc1 445241663 RGCURLVPHFKXRU-UHFFFAOYSA-N 431.496 5.623 30 20 IKED Cc1nnc(-c2cccc(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)c2)n1C 448180763 QYJJEMCSPLUWBL-UHFFFAOYSA-N 425.517 5.066 30 20 IKED C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 460386766 NHUBPNOWBGWGIH-JOCHJYFZSA-N 436.556 5.131 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1c1csc(C)n1 460567468 ORNPKNDPQLLODO-HNAYVOBHSA-N 427.549 5.240 30 20 IKED N#Cc1ccc(OCc2nnc(N3CCC[C@@H]3c3cccs3)n2Cc2cccs2)cc1 461316712 MZODVSJDKYRQCK-HXUWFJFHSA-N 447.589 5.242 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Nc2cccc(OCc3cccnc3)c2)c1 467427391 FWVQWJVNAMKJMB-OAQYLSRUSA-N 428.536 5.025 30 20 IKED O=C(Nc1cc(F)c(OC(F)F)cc1F)c1cccc(-n2ccc(C(F)(F)F)n2)c1 468206671 XKDQONVDJVHIMP-UHFFFAOYSA-N 433.283 5.023 30 20 IKED CCCCOc1cc(OC)ccc1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 469917006 KBKCPEVSPSVGFM-UHFFFAOYSA-N 431.492 5.494 30 20 IKED CCSc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 470569306 IPHWMZVWOCODPV-QGZVFWFLSA-N 436.581 5.264 30 20 IKED Cc1nnc(-c2cc(F)ccc2NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)o1 471387716 IUKWVHIAHMRCMU-UHFFFAOYSA-N 428.423 5.409 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCC1CCC(C(F)(F)F)CC1 471923605 JSNJQCSGDXJCIE-FHERZECASA-N 430.561 5.979 30 20 IKED Cc1cc(-c2noc([C@@H](C)NC(=O)Nc3ccccc3SC[C@H](C)C#N)n2)ccc1F 473816134 GVMSQEYKGQJTQR-UKRRQHHQSA-N 439.516 5.319 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 475581119 DVGIYFNLGVWNIB-UHFFFAOYSA-N 439.987 5.572 30 20 IKED C=CCOc1ccccc1CNC(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 476180985 ZOKNIPJIYNXYCK-GOSISDBHSA-N 447.510 5.203 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(Sc3ccc(Cl)cc3)o2)n1 478543463 SUJQKVYAVGHELU-CYBMUJFWSA-N 432.910 5.207 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)cc1 483332428 CJEMKCZAYAQEPW-KRWDZBQOSA-N 431.492 5.160 30 20 IKED CC(C)CN(C(=O)C[C@@H](CC#N)c1ccccc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 483983115 WMUWKYOFNWYRFA-LJQANCHMSA-N 448.548 5.795 30 20 IKED CC(C)[C@@](C)(NCc1nnc(-c2cccc(C#N)c2)o1)c1ccc(Br)cc1 484402231 GTSPTPUSGYQFDB-OAQYLSRUSA-N 425.330 5.032 30 20 IKED C=CCn1c(S[C@@H](C)c2cc([N+](=O)[O-])ccc2C)nnc1[C@@H]1COc2ccccc2O1 484570894 SDSBOLLCUIJBME-YWZLYKJASA-N 438.509 5.047 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC(c2cccc(Cl)c2)CC1 485250628 JQQUZBXAKROFPV-INIZCTEOSA-N 441.984 5.079 30 20 IKED CC(=O)N(c1nc(COc2c(C#N)cnc3ccc(C)cc23)cs1)c1cccc(C)c1C 488278881 DFWZSPYNDWCTJU-UHFFFAOYSA-N 442.544 5.752 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(COc2ccc(C#N)cc2F)cs1 489104360 QHDLTXCKYVWXLI-UHFFFAOYSA-N 435.402 5.436 30 20 IKED CS(=O)(=O)c1cccc([C@@H](Nc2ccc(C(F)(F)F)cc2C#N)c2ccc(F)cc2)c1 489959666 YLXVHMCHVUGDEB-NRFANRHFSA-N 448.441 5.321 30 20 IKED COc1ccccc1[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccco1 494208680 MQQDGPPUYKIORC-HXUWFJFHSA-N 445.397 5.012 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2cccc(N3CCCC3=O)c2)cc1Cl 494333256 RVWBNQBEINRIQD-HSZRJFAPSA-N 443.934 5.303 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(CCO)Cc3cccc(F)c3)cc2Cl)cc1 494575959 GIOBMVHVNNMOHH-UHFFFAOYSA-N 439.874 5.169 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 502647318 CBXJINVJJOOMGN-UHFFFAOYSA-N 439.475 5.137 30 20 IKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 504775424 MCCKJWPZVALREG-OAHLLOKOSA-N 433.449 5.152 30 20 IKED C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(C)Cc1nccn1CC(F)(F)F 506469654 JCHJFOBGLFNTLB-JTQLQIEISA-N 433.318 5.676 30 20 IKED Cc1ccccc1[C@H]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 508246870 GSKCFWIMJCUOEW-QFIPXVFZSA-N 425.532 5.662 30 20 IKED Cc1cc(N2CCSCC2)ccc1NC(=O)c1cccc(COc2ccccc2C#N)c1 513288359 BRRYKVCNLSNWPM-UHFFFAOYSA-N 443.572 5.251 30 20 IKED Cc1nc(NC(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)sc1SCC#N 513820167 KIBKZKNRKUZAGG-UHFFFAOYSA-N 428.366 5.366 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 514159951 JCAUAJYDERKARG-SFHVURJKSA-N 432.480 5.241 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(C(=O)NC(C)(C)CC)c(Cl)c2)cc(OC)c1OC 515615925 DFUDFABQNCORED-UHFFFAOYSA-N 444.959 5.256 30 20 IKED COc1cc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)ccc1OC(F)F 515625071 WJYWRSJQYPELMU-UHFFFAOYSA-N 426.444 5.248 30 20 IKED CC(C)[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 515893134 QORKLZYZVWBTJZ-UPVQGACJSA-N 445.950 5.447 30 20 IKED Cc1cccc(Oc2ccccc2CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)c1 518226509 GNUMXRHDLUFWEZ-UHFFFAOYSA-N 441.531 5.131 30 20 IKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccc(Cl)cc1 518667855 LFELVNDCPAUFQW-GFCCVEGCSA-N 427.879 5.804 30 20 IKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)c1 518744414 RECMXQHMHKWFOK-RBUKOAKNSA-N 436.581 5.272 30 20 IKED CCn1c([C@@H]2CCCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)nc2ccccc21 518755294 DMLKBHMTUVTGSA-UTKZUKDTSA-N 433.581 5.819 30 20 IKED CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)C(C)C)cc1 519442654 TWTGQWMXZDCYJV-MBSDFSHPSA-N 437.609 5.514 30 20 IKED Cc1noc(CSc2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)cc2)n1 519977584 BLMFNVMEKCVKNK-UHFFFAOYSA-N 442.500 5.587 30 20 IKED C=CCn1c(SCC(=O)NCC2(C)CCCC2)nnc1-c1ccc(Cl)cc1Cl 521275122 RBLJDUZVOMPWDN-UHFFFAOYSA-N 439.412 5.227 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 524607029 ZUUSCPGLFRHCPJ-UHFFFAOYSA-N 427.426 5.076 30 20 IKED COc1c(Br)cc(Br)cc1CN[C@@H](CCC#N)c1ccccc1 532670127 YHJGKFNANZZWNP-KRWDZBQOSA-N 438.163 5.355 30 20 IKED CC(=O)c1ccc(Oc2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)cc1 534131802 WWHFCTAQSRUITC-KRWDZBQOSA-N 430.529 6.328 30 20 IKED C=CCOc1c(Br)cc(/C=C(/C)c2nc(O)c3ccsc3n2)cc1OC 537652299 NJXJMGCFFZEZQT-FLIBITNWSA-N 433.327 5.293 30 20 IKED C[C@H](NCc1ccc(C#N)cc1OC(F)F)c1ccc(NC(=O)c2ccc(F)cc2)cc1 539278465 PTGCNYOYMCJNKX-HNNXBMFYSA-N 439.437 5.402 30 20 IKED CC(=O)c1ccc(Oc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc2)cc1 543057569 JRPUGDYCYUPIIY-HSZRJFAPSA-N 438.508 6.295 30 20 IKED Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NCc1cccn1Cc1ccccc1C#N 551447908 BUAZLQHGQKGQGZ-OAQYLSRUSA-N 426.564 5.343 30 20 IKED COc1cccc(/C=C(\CC(=O)N(C2CC2)C2(C#N)CCC2)c2nc3ccccc3s2)c1 551631145 BAIOBOFXOLWNFZ-XMHGGMMESA-N 443.572 5.673 30 20 IKED N#C[C@@H](C(=O)c1ccc(Cl)c2ncccc12)c1nc(-c2c(F)cccc2F)cs1 555074467 RJCPBQIHCFFWKL-ZDUSSCGKSA-N 425.847 5.780 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1 558807189 QBWPUNUDAWKYLM-FQEVSTJZSA-N 440.543 6.027 30 20 IKED C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 562133555 MLZHFEUIQCQQKV-IBVKSMDESA-N 425.532 5.947 30 20 IKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@](O)(C(F)(F)F)CC1 569877986 YAPCNBCHARUGFP-ZDUSSCGKSA-N 438.290 5.035 30 20 IKED C=C1CCN(c2nnc(COc3ccccc3-c3ccccc3)n2C[C@@H]2CCCCO2)CC1 575022505 CCXBSXBRQFXFER-QHCPKHFHSA-N 444.579 5.250 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC=C(c2cccc(OC)c2)CC1 580008432 KPJYHOKIRGUXAQ-DQEYMECFSA-N 442.563 5.012 30 20 IKED C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCC(c2nc3cc(Cl)ccc3s2)CC1 584482495 WVCARAYPQSBHRL-INIZCTEOSA-N 444.004 5.005 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1 588349073 SGKYTMOYEUQXBW-KRWDZBQOSA-N 433.876 5.483 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 603738425 AZIMHDORAKSFAT-RTBURBONSA-N 437.421 5.815 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3SCc3cccs3)cn2)cc1 603764903 QFEZJHBKCHFFMQ-UHFFFAOYSA-N 443.553 6.352 30 20 IKED CC(C)(C)c1ccc(C2(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CCCCC2)cc1 608950839 CLXCEXGJGMUNBD-UHFFFAOYSA-N 444.623 5.238 30 20 IKED Cc1cccc2c1CC[C@H]2NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609256389 XHFPYCHAQXDBQC-LADGPHEKSA-N 443.934 5.046 30 20 IKED CCCN(C(=O)[C@@H](C)SCC(=O)Nc1ccc(C)cc1)c1cc(Cl)ccc1C#N 609285964 HWONUNBHYTXUNQ-MRXNPFEDSA-N 429.973 5.024 30 20 IKED N#C[C@H](NC(=O)c1cccc(OCc2cccs2)c1)c1ccccc1Br 609593603 CLPANYKNWMJZKS-IBGZPJMESA-N 427.323 5.084 30 20 IKED CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 609826639 NEAIOLGMUYSTKM-XUZZJYLKSA-N 435.568 5.294 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)COc2ccc(Cl)c3ccccc23)c1C 610053934 ZSSJJZZMXWVCGH-UHFFFAOYSA-N 430.895 5.185 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccccc2OCc2ccncc2)cc1F 610313458 KMMGCXVBDBFHGI-UHFFFAOYSA-N 439.446 5.716 30 20 IKED COc1cc([C@H](C)NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)ccc1OCc1ccccc1 618808386 WKBBUVNJLHAHFQ-MHECFPHRSA-N 441.531 5.194 30 20 IKED N#CCn1c(C(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)cc2ccccc21 619144608 INFXZIHLPOXKKY-UHFFFAOYSA-N 438.274 5.306 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C(C)C)nnc1C1CC1 639394816 DMRGIAMCORHMCD-MRXNPFEDSA-N 425.385 5.404 30 20 IKED C[C@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(OC(F)F)cc1 642897768 CBVJFUZJUNYSEX-FTYKPCCVSA-N 448.354 5.558 30 20 IKED C=CCC[C@@H](NC(=O)[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(C(F)(F)F)cc1 676730749 JZWSMWYHVROWKH-FOIQADDNSA-N 439.499 5.036 30 20 IKED C=CCC[C@@H](N[C@@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccc(C(F)(F)F)cc1 681394690 VQYZVQRVBWQGAZ-RTBURBONSA-N 427.463 5.360 30 20 IKED N#CCCCOc1cccc(/C=C2/SC(=S)N(c3ccc4ccccc4c3)C2=O)c1 726801678 KDYQWAWKKQBAPQ-PXLXIMEGSA-N 430.554 5.928 30 20 IKED COc1ccccc1Cc1nnc(S[C@@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)o1 727265987 RDFMPHAOCYKLBP-AABCQZNVSA-N 449.576 5.030 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2cccc([N+](=O)[O-])c2C)cs1 727973078 CPAMLRCPUJYPOY-UHFFFAOYSA-N 429.889 5.144 30 20 IKED CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 729552683 IMJDVWSLXVFLNI-AUSIDOKSSA-N 448.567 5.111 30 20 IKED Cc1nc(CCC(=O)N2CCSC2=Nc2cccc(Cl)c2C)oc1-c1ccccc1 730162053 IGLOGJQYGRVLOD-UHFFFAOYSA-N 439.968 5.808 30 20 IKED Cc1nc(CCC(=O)OCc2cc(C#N)ccc2F)oc1-c1ccc(Br)cc1 730372413 YSXVKLJTRRHULA-UHFFFAOYSA-N 443.272 5.099 30 20 IKED N#CCOc1ccc(CNC(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)cc1 730384326 IAIIFFGNDDSOHL-UHFFFAOYSA-N 432.480 5.326 30 20 IKED CSc1ccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)cc1 730583773 KMYOAALTBVLSMM-UHFFFAOYSA-N 425.366 5.057 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 730686075 CVTXIVIOMAOANM-MJBXVCDLSA-N 442.129 5.751 30 20 IKED C#CCOc1ccc(NC(=O)c2cccc(COc3ccc(CCC(C)=O)cc3)c2)cc1 730979696 ALOPCFJXLMNQFD-UHFFFAOYSA-N 427.500 5.052 30 20 IKED CCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2c(OC(F)F)ccc3ccccc23)cc1 731564375 CIEHTWITDNBENF-OUKQBFOZSA-N 431.460 5.099 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 732709154 YNHCNFWURBNFQA-INIZCTEOSA-N 426.806 5.372 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(-c3ccc(OC)cc3F)cc2F)c1 733772013 WOSOEIWSWPAVDA-SFHVURJKSA-N 436.458 5.251 30 20 IKED CCN(CC)C(=O)[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1 734850077 UWXUMXZAJOSLIW-RUZDIDTESA-N 431.511 5.298 30 20 IKED COc1cc(C[S@](=O)Cc2ccc(CC(C)C)cc2)ccc1OCc1cccc(C#N)c1 735167822 AHNFQJIOOBYDJG-JGCGQSQUSA-N 447.600 5.793 30 20 IKED N#CCOc1ccc(Cl)cc1COC(=O)Cc1csc(-c2ccccc2Cl)n1 735340911 XIMCBJIKYKSBOF-UHFFFAOYSA-N 433.316 5.305 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Cc3cccc(C(F)(F)F)c3)n2)cc1 739158711 CWQCIOKMLYPCFB-IFXJQAMLSA-N 444.478 5.893 30 20 IKED O=C(/C=C\c1cc(Br)cs1)c1ccc(S(=O)(=O)C2CCCC2)cc1 741446852 ANCZHIPPOXGKKZ-YFHOEESVSA-N 425.369 5.123 30 20 IKED CS(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(-c3cccc(Br)c3)o2)cc1F 741841137 KOLAFVCSGDSTSS-SOFGYWHQSA-N 449.297 5.148 30 20 IKED Cc1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1NC(=O)OC(C)(C)C 742651858 YAJZMRKCSUAGKN-KRWDZBQOSA-N 434.323 5.644 30 20 IKED Sc1nnc(SCc2ccccc2)n1N=Cc1ccc(Br)cc1Cl 743429191 FKOWTYGLHRYGEI-UHFFFAOYSA-N 439.791 5.157 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)C[C@H](Cc1ccccc1)c1ccccc1 744031164 RTELKIILFULBCY-GOTSBHOMSA-N 426.516 5.149 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1NC(=O)OC(C)(C)C 744032967 PSBXNAYNQPEWIN-HNNXBMFYSA-N 445.878 5.096 30 20 IKED COc1ccc(-c2nnc(S)n2N=Cc2sc3ccccc3c2Cl)cc1OC 744744207 RDNYJUTXVPNYEX-UHFFFAOYSA-N 430.942 5.001 30 20 IKED O=C1/C(=C\c2ccc(F)c(F)c2)CN(Cc2ccccn2)C/C1=C/c1ccc(F)c(F)c1 747317485 WITQAFSSHZMTHF-JZAWIKSFSA-N 438.424 5.190 30 20 IKED Cc1nn(C(F)F)c(C)c1CC(=O)O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 750219730 UFCNFELCENKJAX-CQSZACIVSA-N 430.295 5.303 30 20 IKED N#C[C@@H](COC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Cc1ccccc1 750782087 GKFUHJPMPJMVBJ-RDPSFJRHSA-N 446.934 5.127 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)C[C@H](O)c2cccs2)cc1 752223553 DEVDNSIZSXOTAC-BEFAXECRSA-N 437.521 5.054 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H]2c2ccccc2Br)c1 755167284 SVLDTEYKSXTYMD-UWJYYQICSA-N 442.357 5.177 30 20 IKED N#C[C@H](C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1nc(-c2ccc(Cl)cc2)cs1 759213228 IVUHFAKROFVFRY-QGZVFWFLSA-N 436.880 5.272 30 20 IKED C[C@@H](ON=Cc1ccccc1C(F)(F)F)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 760415817 DYVNJUSTCALQMU-SNVBAGLBSA-N 430.213 6.174 30 20 IKED Cc1ccccc1-c1nc(CON=C(Cc2nc3ccccc3n2C)c2ccccc2)no1 760438684 NUNPHOKGURXEDB-UHFFFAOYSA-N 437.503 5.095 30 20 IKED CCOc1ccc(-n2c(SC[C@H](O)c3ccc(C#N)cc3)nnc2-c2cccs2)cc1 764679816 WZPGHJIKSJPNSD-FQEVSTJZSA-N 448.573 5.092 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(COC3CCOCC3)c2)cc1 767871062 YHQXJELTFFMEJC-AREMUKBSSA-N 426.516 5.290 30 20 IKED CCCCOc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2c(CC)cccc2CC)c(Cl)c1 770841109 VYUYJCTWYVYOJY-HXUWFJFHSA-N 426.944 5.605 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cc(F)ccc2Br)cc1 771903218 NKRMPRYFZHYAJJ-GOSISDBHSA-N 445.313 5.044 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)C1CCC(C(F)(F)F)CC1)c1ccc(Cl)cc1Cl 774258521 BMESPOPTJMFQNN-QZLRTXKQSA-N 435.273 5.248 30 20 IKED C[C@H](OC(=O)[C@H](Sc1ccccc1)c1ccccc1)C(=O)N(CCC#N)c1ccccc1 775202040 YPVNMOXZZHGFMT-GBXCKJPGSA-N 444.556 5.399 30 20 IKED COc1ccc(N(C(C)=O)c2nc(C=NNc3nc4ccccc4cc3C)cs2)cc1 776783280 SHPPLUTZATXEMF-UHFFFAOYSA-N 431.521 5.139 30 20 IKED COc1ccc([C@@H](NCc2ccc(OC)c(C#N)c2)c2ccc(C(F)(F)F)cc2)cc1 778616713 HZZVRBIJNXKRTL-QHCPKHFHSA-N 426.438 5.473 30 20 IKED C[C@H](Nc1ccccc1O[C@H](C)C#N)c1nc2cc(Cl)ccc2n1Cc1ccccc1 779712589 JUQXOSFMQKMBJR-MSOLQXFVSA-N 430.939 6.202 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 780152879 UISFCPJHELZXKQ-DGMVEKRQSA-N 428.332 5.667 30 20 IKED Brc1ccc(CON=Cc2cccc(OCc3ccncc3)c2)c2ncccc12 784048289 YJTPEWAIFVULHB-UHFFFAOYSA-N 448.320 5.522 30 20 IKED C[C@H](Oc1ccc(C(=O)[C@H](C#N)C(=O)NCc2cccc(Cl)c2)cc1)c1ccccc1 788378616 JDJNWBIRHPCWTA-SBUREZEXSA-N 432.907 5.119 30 20 IKED C#CCC1(C(=O)NC[C@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)CCCCC1 788490850 DFXJJLMFBSFDMZ-HSZRJFAPSA-N 444.575 5.407 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 790965258 KOSUIBNIQOVHKE-SFHVURJKSA-N 448.350 5.654 30 20 IKED COCCCC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 791751402 PCFZXMCHPNUCTQ-IZZNHLLZSA-N 427.548 6.022 30 20 IKED N#CCCn1cc(C(=O)COC(=O)c2occc2CSc2ccccc2)c2ccccc21 792738207 HEDOWSKLJKELMN-UHFFFAOYSA-N 444.512 5.480 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)s1 797570221 DUARQMKHNLLWKK-PZJWPPBQSA-N 447.560 5.285 30 20 IKED N#Cc1cc(NCc2nnc(-c3c(Cl)cccc3Cl)o2)ccc1OC(F)(F)F 799593727 VVZYYFRYOPVRBJ-UHFFFAOYSA-N 429.185 5.426 30 20 IKED N#CC1(CCCOC(=O)[C@@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)CCOCC1 800164256 JCUDZTPISQSUPY-NRFANRHFSA-N 448.346 5.757 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@@H]1COC(=O)NC1CCCC1 809877821 RLZIXEJSLLVDCL-IEBWSBKVSA-N 444.601 5.136 30 20 IKED C=CCn1c(-c2ccccc2F)nn(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1=S 813201631 ALCFXXWANGJZRP-UHFFFAOYSA-N 447.923 5.057 30 20 IKED C=CCOc1ccccc1C(=O)OCc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 913367739 XLKXDARKMUDBNM-UHFFFAOYSA-N 436.533 5.366 30 20 IKED C=CCN(Cc1ccccc1)Cn1nc(-c2ccc(F)cc2)n(C[C@@H]2CCCO2)c1=S 914570366 CGTIRAJRYOIWOJ-QFIPXVFZSA-N 438.572 5.045 30 20 IKED CCOc1cc(/C=C/C(=O)c2cc(F)ccc2F)ccc1OCc1ccc(C(=O)OC)o1 916134165 FQITXQMWEBTOEL-RUDMXATFSA-N 442.414 5.218 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1c(F)cccc1Cl 916273039 PPOVBNRTZLQHPU-UHFFFAOYSA-N 432.307 5.762 30 20 IKED CCCOc1ccc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)cc1OC 916310625 ACNJWURNSJNELT-UHFFFAOYSA-N 433.533 5.113 30 20 IKED Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3cccc(OCC#N)c3)c2c1C 916410340 ZRCIWRDMTFPYMP-UHFFFAOYSA-N 446.557 5.614 30 20 IKED COc1ccc(C(C)=NNc2ncc(Cl)cc2Cl)cc1CSc1ncccn1 916588468 OFFXPEQQGCSLKK-UHFFFAOYSA-N 434.352 5.315 30 20 IKED CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916887947 QHMLAZHKBUCSAY-QKUWSGOFSA-N 438.540 5.126 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCc1ccc(-c2ccccc2)o1 916901925 SLGGDEJTEGLVEN-GOSISDBHSA-N 436.895 5.197 30 20 IKED Cc1ccc(SCc2cccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)c2)c(C)c1 916908335 HFUCXVZIUODWRG-FQEVSTJZSA-N 448.975 6.210 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnn(Cc3ccccc3Cl)c2)cc1 916956029 XHFDIJSVOVHWMH-HRAATJIYSA-N 434.927 5.059 30 20 IKED Cc1cccc(N2C[C@@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)c1C 916976920 WXLYGESWMNLNRW-PKOBYXMFSA-N 449.963 5.310 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3scnc3C3CC3)cc2)CCC1 1787185515 GTHVCNGHCSQNRS-HXUWFJFHSA-N 435.593 5.537 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Nc3nccs3)CCC2)cc1 1789626483 YOPQQEMDINOLDK-KRWDZBQOSA-N 440.613 5.070 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)CCC1 1790398109 ZDBVSYUKFZCLAA-UHFFFAOYSA-N 427.548 5.038 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C/C3CCCCC3)cc2)CCC1 1790517882 MMQYRUSJRCWTAF-XATQLNLPSA-N 425.573 5.058 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](F)c4ccccc4)CCC3)cc2)cc1 1790705240 MNVFRVYDHVPEJZ-XMMPIXPASA-N 441.506 5.211 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(C)noc3-c3ccccc3)CCC2)cc1 1791248229 WUONCCRPOCAZIY-SFHVURJKSA-N 443.547 5.610 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C(C)(C)C)oc2C)n[nH]1 1816464806 OYYRCQYKONKKGT-HXUWFJFHSA-N 438.572 5.108 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ccccc23)n[nH]1 1818452753 CBESDLXWPXPKTE-RDPSFJRHSA-N 442.563 5.637 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccccc3o2)n[nH]1 1818627207 NJBMGFMKODSZFU-HXUWFJFHSA-N 432.524 5.230 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC)cc2C)n[nH]1 1820658116 STRDMNAJKFVPIH-NRFANRHFSA-N 438.572 5.025 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccccc2C)n[nH]1 1822057614 GHFXGARCEHJCMA-FYYLOGMGSA-N 434.584 5.111 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1823678160 JELMWWUJPOYMQF-GAJHUEQPSA-N 442.003 5.267 30 20 IKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Cl)c2C)CC1)C(F)(F)F 1823915236 DEUFYRJYNKIDHJ-LJQANCHMSA-N 442.909 5.000 30 20 IKED CCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccc(C)cc2)cc1 10173147 MBZWKSWNDBBAEU-UHFFFAOYSA-O 434.585 5.043 30 20 IKED Cc1ccc(N/C(S)=C(\C(=O)c2cc(C)n(C)c2C)[n+]2ccc(C(C)(C)C)cc2)cc1 10173201 OJUCMEFIPYLACI-UHFFFAOYSA-O 434.629 5.586 30 20 IKED C=CCN(C(=O)Cn1c(CSC)nc2ccccc21)c1nc(-c2ccccc2)cs1 15706207 BWZMQLRYEUDJBD-UHFFFAOYSA-N 434.590 5.242 30 20 IKED Cc1cc(C)c(Nc2nnc(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)s2)c(Cl)c1 16328482 AUSHEKCOGSQUQY-ORAYPTAESA-N 438.022 5.087 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C1\S/C(=N\C2CCCC2)NC1=O 20987578 VBIXOGUVTGJRPO-YVLHZVERSA-N 435.380 5.049 30 20 IKED C=CCn1c(SCC(=O)c2ccc(C(C)C)cc2)nnc1[C@@H]1COc2ccccc2O1 21277382 UQNJOLKJSRRNKI-QFIPXVFZSA-N 435.549 5.075 30 20 IKED N#Cc1ccccc1-c1ccc(COC(=O)c2nccnc2-c2nc3ccccc3s2)cc1 22416873 WPTYSYLTOXKFSI-UHFFFAOYSA-N 448.507 5.649 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 24649511 GPTAMYYSMAXLLF-SFHVURJKSA-N 441.531 5.514 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(Br)cc3)n2)nnc1-c1ccco1 63846659 RWBBTBSFVPYDKH-UHFFFAOYSA-N 443.326 5.434 30 20 IKED O/C(=N\c1nc(-c2ccccc2Cl)n[nH]1)c1cc(-c2cccnc2)nc2ccccc12 97576510 SXNADERLSIXUNM-UHFFFAOYSA-N 426.867 5.372 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 195730000 AZWUYUJSYRYQCW-UHFFFAOYSA-N 430.596 5.222 30 20 IKED C=CCn1c(Sc2ncnc3sc4c(c23)CCCC4)nnc1-c1ccccc1OC 301103189 SHSAXLNAWOLLQJ-UHFFFAOYSA-N 435.578 5.174 30 20 IKED C[C@@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 302992556 WNYGXPKZKMJLLF-SNVBAGLBSA-N 440.783 5.912 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 303139357 DILBSFVAMLKNMT-UHFFFAOYSA-N 429.495 5.805 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(Br)cc3F)cc2)c1 303142378 DVDRJVWOEBNTTL-UHFFFAOYSA-N 425.257 5.291 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)Cn2c(CSC)nc3ccccc32)c1 303235327 ZENMEPYHLOWGLY-UHFFFAOYSA-N 431.586 5.176 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(c3ccc(C(F)(F)F)c(C#N)n3)C2)n1 409656360 HRFVCNBJXWJCMC-AWEZNQCLSA-N 444.482 5.488 30 20 IKED Cc1ccc(NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC(C)C 427880053 DXLGSZRJSBWOGT-UHFFFAOYSA-N 429.476 5.023 30 20 IKED N#CCCSc1ccccc1NC(=O)c1cc(C(F)(F)F)ccc1Br 432680121 QVVSHZOPBSJYFU-UHFFFAOYSA-N 429.261 5.726 30 20 IKED N#CCCn1cc(CNCC2(c3cccc(Cl)c3F)CCCC2)c(-c2ccncc2)n1 433334929 JGNBZVMOGBEFCO-UHFFFAOYSA-N 437.950 5.253 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](Cc3cccc(Cl)c3F)C(C)=O)o2)cc1 436206154 FBIYUNAOXYJNHX-SFHVURJKSA-N 432.904 5.386 30 20 IKED C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)Nc3cccc(OCCCC#N)c3)c2)C1 437045188 NXPZKGFIJYBNOS-AUSIDOKSSA-N 449.551 5.042 30 20 IKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)N[C@@H](CCC#N)c1ccccc1 440248846 WCCZAYFRZWIXHC-FQEVSTJZSA-N 437.931 5.357 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](Oc2ccccc2Cl)C1 443938326 PHHKJQRRPORMCV-IRXDYDNUSA-N 429.973 5.667 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2ccccc2C(F)(F)F)on1 462055339 DJJGYGRRYMNSAD-ZDUSSCGKSA-N 431.439 6.007 30 20 IKED CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 463773583 UGAIKYXSQQUZIU-UHFFFAOYSA-N 431.467 5.727 30 20 IKED C[C@@H]1CCCN(c2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)ccn2)C1 464182888 GTZGQTLTOTXARW-BEFAXECRSA-N 436.968 5.585 30 20 IKED N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccc(F)c(F)c1)c1cc(C(F)(F)F)ccn1 464467535 KQEINEVDVOVXSN-MRXNPFEDSA-N 430.332 5.100 30 20 IKED N#CCCCOc1cccnc1NC(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 466623746 WBELCXDZRBRTBK-KRWDZBQOSA-N 447.308 5.035 30 20 IKED CC(C)(C)c1ccc(Oc2ccc(C(=O)N3CCC[C@@]4(CCCCO4)[C@@H]3C#N)cn2)cc1 468647949 HXFFZADHBOFBHG-NVQXNPDNSA-N 433.552 5.239 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)N(C)[C@@H](C)c2sc(-c3ccccc3)nc2C)c1 469637975 SIAWJKMUTISFNL-SFHVURJKSA-N 449.576 5.232 30 20 IKED C[C@@H]1C(=O)CC[C@H]1CC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 476613675 TYECGCRZKLEBKY-UTEYVOQOSA-N 449.313 5.449 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(Cl)cc3Br)CC2)c1 478735694 AWUFMXUFQQRRJZ-UHFFFAOYSA-N 434.721 5.049 30 20 IKED CC[C@H](NC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F)c1nc(C(F)(F)F)cs1 482408730 WHZXNEGQGXVSQB-JOYOIKCWSA-N 447.351 5.494 30 20 IKED CCc1c(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cnn1-c1ccccc1Cl 485333729 WYFXHPBDWFNYFP-UHFFFAOYSA-N 431.927 5.281 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3nc(-c4ccc(OCC)cc4)no3)o2)cc1 489758132 HHAZQTUHBBLENR-UHFFFAOYSA-N 436.493 5.042 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)c3ccc(Br)cc3)o2)cc1 489773086 FOKQSNWLNDYZSP-UHFFFAOYSA-N 431.311 5.039 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(SC)cc3)o2)cc1 489783911 WWVVXVQEESMAJW-CQSZACIVSA-N 427.551 5.143 30 20 IKED C[C@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 491030552 WOWRHUSTMHFAFZ-HNNXBMFYSA-N 425.916 5.027 30 20 IKED CCN(CC)Cc1cccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1 497848918 RXMOUMOWGHAGMH-UHFFFAOYSA-N 429.568 5.175 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 499796981 HYZVIXQNXBATLZ-UHFFFAOYSA-N 431.483 5.558 30 20 IKED C[C@H](NC(=O)N(C)Cc1nc(-c2cccs2)no1)c1ccc(-c2cccc(C#N)c2)cc1 501857273 GNYKVPDHYHAWKB-INIZCTEOSA-N 443.532 5.239 30 20 IKED COCc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)oc2ccccc12 505616813 BYGAKOCKSNYTAB-UHFFFAOYSA-N 428.444 5.504 30 20 IKED N#Cc1c(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)sc2c1CCCC2 508902705 DOAFZTOKGQQZGX-UHFFFAOYSA-N 447.507 5.822 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(Br)cc3Cl)CC2)cc1 510018872 CNCKCGUEUZPFMX-UHFFFAOYSA-N 434.721 5.049 30 20 IKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)Nc1sc2c(c1C#N)CCCC2 512148592 RITFGNPFMCKMOG-UHFFFAOYSA-N 428.355 5.232 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)n1 513682696 YIKTTXBRHPXDMI-KRWDZBQOSA-N 430.316 5.501 30 20 IKED CCC(=O)Nc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 513875478 AYAMISJGTIUTLV-UHFFFAOYSA-N 430.483 5.280 30 20 IKED N#Cc1cccnc1Oc1ccccc1NCC(=O)N(c1ccccc1)C1CCCCC1 515672120 UDVRPTPQBJILES-UHFFFAOYSA-N 426.520 5.523 30 20 IKED CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(Cl)cc1 516734979 LMLGWUCNECPEAB-OAQYLSRUSA-N 433.895 5.210 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)cc1 517355130 JNOVYSFJAWMALE-UHFFFAOYSA-N 433.533 5.846 30 20 IKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 517473257 LXMYTZXVNIAVCX-QGZVFWFLSA-N 432.593 6.140 30 20 IKED COc1cc([C@H](C)NC(=O)N[C@@H](C)c2ccc(C#N)cc2)ccc1OCc1ccccc1 517970903 WAPROXZUXWJXCM-OALUTQOASA-N 429.520 5.267 30 20 IKED C[C@H](C#N)CSc1ccccc1NCC(=O)Nc1ccccc1Sc1ccccc1 518141084 NEDBZIDUEKHWSP-GOSISDBHSA-N 433.602 6.140 30 20 IKED Cc1ccc(I)c(C(=O)Nc2ccccc2SC[C@H](C)C#N)c1 518662998 XMFCNUAUGQNQBF-CYBMUJFWSA-N 436.318 5.104 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 520196989 NBSYOLYEXQKSEM-MGPUTAFESA-N 439.972 5.379 30 20 IKED CCN(C(=O)c1cnn(-c2cccc(Br)c2)c1C)[C@@H](C)c1ccc(C#N)cc1 520680346 JPHHFIKEJSHQNZ-HNNXBMFYSA-N 437.341 5.038 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)nnn1-c1ccc(F)c(Cl)c1 520904570 LBELOZWVMHSXHQ-GFCCVEGCSA-N 446.294 5.121 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2cccnc2)cc1)c1nc(-c2c(F)cccc2F)cs1 521263932 QIFVERYBMFTSJV-QGZVFWFLSA-N 433.439 5.766 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CCOCc1ccc(C#N)cc1 521675451 IPCMZAIRCXMOEP-UHFFFAOYSA-N 440.503 5.211 30 20 IKED C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)CCC(=O)N(CCC#N)c1ccccc1 521788822 SYPAEDUUKDOSOO-INIZCTEOSA-N 432.351 5.240 30 20 IKED CCc1cccc2c1OCC[C@@H]2NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 523211252 JUYCDKIKMXKZET-VWLOTQADSA-N 443.522 5.495 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1 523274644 QXCCJVGCWRWVNQ-UHFFFAOYSA-N 433.464 5.169 30 20 IKED CCCn1c(SCCOc2ccc(C#N)cc2OC)nnc1-c1ccc(Cl)cc1 525338374 JQPIYDZREYDFPY-UHFFFAOYSA-N 428.945 5.060 30 20 IKED CC[C@H]1c2ccsc2CCN1CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 532922896 BDWTYAXJHKFJKN-NRFANRHFSA-N 436.581 5.017 30 20 IKED Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 538656077 UHODKQCKSXKTIG-LBPRGKRZSA-N 429.517 5.901 30 20 IKED CCN(C(=O)CCc1c(C)nc2c3ccccc3nn2c1C)c1ccc(C#N)c(Cl)c1 539174017 WOBNWOLTSMCTPL-UHFFFAOYSA-N 431.927 5.010 30 20 IKED COc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1NC(=O)C1CCCCC1 543302665 HKJZJACXCZKLRS-UHFFFAOYSA-N 446.551 5.282 30 20 IKED OCc1ccc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)cc1 543980380 CJOJPMIIWZCPFU-HNNXBMFYSA-N 431.298 5.610 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 549120857 QOBQAVGKUZRRTL-LSDHHAIUSA-N 426.376 5.583 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](c2cccs2)C1 559004323 MXUPBBMYANUHJC-FPOVZHCZSA-N 438.597 5.250 30 20 IKED N#Cc1ccc(Cl)c(C(=O)N[C@H](Cc2ccccn2)c2ccc(Br)cc2)c1 567367391 FXXJQVHIVNGCGR-HXUWFJFHSA-N 440.728 5.083 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@]2(C)OCCc3sccc32)cc1 571964214 AFSVGDLVZFAQFA-XMMPIXPASA-N 449.532 5.030 30 20 IKED N#CCc1ccccc1NC(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2 579758485 FTHDRYLUDRTKND-UHFFFAOYSA-N 444.844 5.352 30 20 IKED N#Cc1ccc(CNc2ccc(Cc3nnc4n3CCCCC4)cc2)c(C(F)(F)F)c1 580604547 WUUYEOCSYFCMJE-UHFFFAOYSA-N 425.458 5.098 30 20 IKED CCOc1ccc(Oc2ccccc2NC(=O)CCc2c(C)nn(CCC#N)c2C)cc1 603435088 VMSFATARUAMOCO-UHFFFAOYSA-N 432.524 5.176 30 20 IKED Cc1ccc(OCc2nc(CC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cs2)cc1 603530600 IMSWOZOGDPQVSY-UHFFFAOYSA-N 433.577 5.130 30 20 IKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCCc3nnc(-c4ccccc4)o3)c2C#N)C1 603635983 AKPUMYSMZVCRSF-KRWDZBQOSA-N 448.592 5.782 30 20 IKED Cc1nc(-c2ccc(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)s2)cs1 603691076 YOIHBJLLQSJCCO-UHFFFAOYSA-N 447.545 5.561 30 20 IKED Fc1cccc(F)c1-c1ccc(CNC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)o1 604414817 AVTSVDUHCGOQJN-QWRGUYRKSA-N 427.335 6.224 30 20 IKED COCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)sc2cccc(F)c12 609064845 LWNDVPKMHOLMSR-UHFFFAOYSA-N 446.503 5.890 30 20 IKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 609074034 URPWTIUYQIUJMF-SFHVURJKSA-N 437.503 5.027 30 20 IKED CC(C)c1ccc(-c2nc(CC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cs2)cc1 609141333 WSIVSCLDKIPXPA-UHFFFAOYSA-N 445.588 5.418 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609176658 RIQGGNHOJKZUQV-UHFFFAOYSA-N 443.484 5.818 30 20 IKED CC[C@@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C(C)C)cc1 609400068 GOVSLPUDCZJIDS-JPYJTQIMSA-N 437.609 5.658 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(CN2CCCCCC2)c1 609439056 VRJOOKNZNBQONV-FQEVSTJZSA-N 436.625 5.779 30 20 IKED CC[C@@H](C)[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1nc2ccccc2[nH]1 609500861 JFRHNGKYKXCGON-WAIKUNEKSA-N 425.492 5.139 30 20 IKED C[C@H](Oc1ccccc1NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccccc1 609652387 TYQVPCKYOGUQNZ-IBGZPJMESA-N 438.483 6.123 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)CSCc2ccc(C#N)cc2)cc1 610191146 IBXVEVDQEGJWGD-IBGZPJMESA-N 430.573 5.687 30 20 IKED N#Cc1ccc(SCC(=O)N[C@@H](CC(F)(F)F)c2ccc(Br)cc2)cc1 612502313 UMELSNIQFHTVRS-INIZCTEOSA-N 443.288 5.223 30 20 IKED Cc1nc(-c2ccc([C@H](C)NC(=O)CSc3nc(C)c(C)c(C)c3C#N)cc2)cs1 612980661 KMAJDICCILGDPC-INIZCTEOSA-N 436.606 5.280 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2cccc(Cl)c2)n1)c1nc2ccccc2n1C(F)F 613405018 ZODJQNRGMHQELD-ZDUSSCGKSA-N 428.851 5.698 30 20 IKED O=C(c1csc(-c2ccc(F)cc2)n1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618301760 VOLTVGYICKHNOP-GHMZBOCLSA-N 426.357 5.152 30 20 IKED COc1ccccc1CN(Cc1cccs1)C(=O)NCc1ccc(C#N)c(Cl)c1 619827122 TYNDIBIJMOXCMH-UHFFFAOYSA-N 425.941 5.194 30 20 IKED C=CCN(C(=O)c1cc(C)nn1CC)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 624808256 HTBBSTUPCTYMGY-UHFFFAOYSA-N 428.561 5.835 30 20 IKED O=C(c1cc(-c2ccccc2C(F)(F)F)on1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 643224454 MKGJHHWZHBAODX-GHMZBOCLSA-N 446.269 5.173 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 675539825 VTGLKIRQUBDCCB-UHFFFAOYSA-N 442.540 5.150 30 20 IKED C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 679554810 DIJXBDDMTHRFOR-WCQYABFASA-N 430.364 5.298 30 20 IKED O=C(c1cc(Cl)cc(Br)c1F)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 683446630 WGAHVWQYCMTORC-YUMQZZPRSA-N 442.556 5.054 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1c(F)cccc1F 728062795 UJCNWQXPOUKASL-CQSZACIVSA-N 441.865 5.508 30 20 IKED COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1SC 728466649 ZDUSDAXUCKVPBO-IBGZPJMESA-N 433.489 5.233 30 20 IKED FC(F)Oc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1Cl 731486658 SIMQLTBDECCAHC-UHFFFAOYSA-N 429.279 5.361 30 20 IKED Cc1ccc(-c2nc(CON=C(Cc3nc4ccccc4n3C)c3ccccc3)co2)cc1 731664380 LOJCGQQHIINHHI-UHFFFAOYSA-N 436.515 5.700 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2nc(-c3ccc(F)cc3)ns2)cc1 733002974 QCQJNWJYXOFTFX-UHFFFAOYSA-N 446.532 5.760 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)OCc2ccc(OCC#N)cc2)cc1 733401742 ACSDEELMXNAHNG-UHFFFAOYSA-N 440.499 5.422 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2N2CCCCCC2)ccc1OC 733618480 BCHADNLPIKIIPT-HXUWFJFHSA-N 436.556 5.078 30 20 IKED COC(=O)Nc1cccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 733623717 QPKBAZXEUZURNR-HXUWFJFHSA-N 434.883 5.818 30 20 IKED Cc1ccc(C#N)cc1S(=O)(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1 734233731 UCBUYJJRGNQHEP-UHFFFAOYSA-N 430.363 5.159 30 20 IKED COc1ccc(OC(F)F)c(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1 740435338 OSAADASEOUTVKM-UHFFFAOYSA-N 429.448 5.218 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C)c(NC(=O)OC(C)(C)C)c3)n2)cc1 744031009 HRGQMTNQLVVWII-IBGZPJMESA-N 447.560 6.264 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)c1 745819580 BNPOIVFLAFDLEJ-FQEVSTJZSA-N 445.485 5.307 30 20 IKED C=CCc1cc(/C=C(\C(=O)Nc2cccc(OC)c2)C(=O)c2ccccc2)cc(OC)c1O 747064144 UGRRCFLZHCACJA-HAHDFKILSA-N 443.499 5.043 30 20 IKED CC(=NNc1ncc(C(F)(F)F)cc1Cl)c1nnn(-c2ccc(Cl)cc2)c1C 747603247 ZDFCCGHRRGSFHH-UHFFFAOYSA-N 429.233 5.132 30 20 IKED N#Cc1ccccc1N1CCC(NC(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)CC1 749534467 WQDZCGKCYXTHBI-VWLOTQADSA-N 445.563 5.316 30 20 IKED CCOc1c(Cl)cc(C=NO[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1OC 749538029 JSVRGPQGPOZAFY-LBPRGKRZSA-N 444.837 5.144 30 20 IKED CCn1nc(C)c(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)c1C 750910356 RHAXGJAAURBXGZ-FLIBITNWSA-N 428.945 5.210 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cnc(-c2cccs2)s1 751522793 SHBSWWKFMTYKGX-UHFFFAOYSA-N 434.571 5.501 30 20 IKED N#Cc1ccc(COC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c(OC(F)F)c1 752537528 VJSAKZYYOZOCNN-UHFFFAOYSA-N 432.810 5.144 30 20 IKED Cn1cc(NC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(F)(F)F)n1 752818804 SMAJLLVSHPSYPV-NSCUHMNNSA-N 431.258 5.128 30 20 IKED N#Cc1ccc(Oc2ccc(OC(=O)[C@@H](OC3CCOCC3)c3ccccc3)cc2)cc1 759423609 XGXLQJFWOPPQTD-VWLOTQADSA-N 429.472 5.193 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(NC(C)=O)cc(C(F)(F)F)c2)cc1 761039148 SBJLYBQBLBAFMB-XCLFUZPHSA-N 445.441 5.138 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)O[C@H]2CCO[C@H](C3CCOCC3)C2)c1 763118841 HKLBSHCPBLAVDS-GMAHTHKFSA-N 441.911 5.135 30 20 IKED O=C(OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1csc(-c2ccccn2)n1 764899575 OICOJHQVCBORDN-UHFFFAOYSA-N 436.308 5.137 30 20 IKED COc1ccc(CNCc2cccc(-c3ccc(C#N)s3)c2)c(OCc2cccnc2)c1 767690179 JSLKZVUTHZPTHI-UHFFFAOYSA-N 441.556 5.559 30 20 IKED Clc1ccc(CSc2nncn2N=Cc2ccc(Cl)c(Br)c2)cc1 776184998 DHFYXYSXJXJLMA-UHFFFAOYSA-N 442.169 5.522 30 20 IKED CC(C)c1ccccc1-n1c(-c2cccnc2)nn(CN2CCC(C)(C#N)CC2)c1=S 779879293 JPEDYIGEEUYKJP-UHFFFAOYSA-N 432.597 5.172 30 20 IKED C[C@H](NC(=O)Nc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2cccc(C#N)c2)cc1 782570069 SWYISOOMDGLBQH-SFHVURJKSA-N 444.510 5.084 30 20 IKED C[C@H](OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nnc(-c2ccc(F)cc2)o1 783623924 HCCMGUIPNOXFKL-INIZCTEOSA-N 443.434 5.652 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)Nc3ccc(CC#N)cc3)cs2)cc1 783776581 JNLGMUGXBYFZML-UHFFFAOYSA-N 448.548 5.399 30 20 IKED Cc1ccc(N2CCNC2=O)cc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 785461301 OVSXIHFYUKIVET-UHFFFAOYSA-N 446.894 5.094 30 20 IKED CC1(C)COc2c(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cccc21 789402380 CXHFIGJOBTZKRS-LJQANCHMSA-N 426.472 5.110 30 20 IKED CCN(C(C)=O)c1nc(/C=C2/CC(C)(C)c3ccc(Br)cc3C2=O)cs1 794967062 BZDKRBSABORRRH-JYRVWZFOSA-N 433.371 5.226 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2csc(C)n2)cc1 799602057 FOXFYMUXUVRCII-MRXNPFEDSA-N 439.924 5.050 30 20 IKED N#CC1(CCCOC(=O)[C@H](Oc2ccc(F)cc2Cl)c2ccccc2)CCOCC1 800163247 DHHVTLDAMKKPIE-OAQYLSRUSA-N 431.891 5.243 30 20 IKED C[C@H](OC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 803924661 LXDVXOPITFTUMC-NSHDSACASA-N 448.281 5.636 30 20 IKED COc1ccc2cc(-c3cc(C(=O)Nc4n[nH]c(C)c4C#N)c4ccccc4n3)ccc2c1 807394582 TZZGGTFGKFKOOC-UHFFFAOYSA-N 433.471 5.219 30 20 IKED COC(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 810300809 HCJRZSRJXLXRNF-UHFFFAOYSA-N 436.851 5.051 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ncc(C(C)(C)C)s2)c1 814776482 YELUDASPLFSHEN-UHFFFAOYSA-N 429.615 5.214 30 20 IKED C=CCn1c(SC[C@@H](O)c2ccc(F)cc2)nc2scc(-c3cccs3)c2c1=O 819954212 MBCRNIAMPLIOJD-MRXNPFEDSA-N 444.578 5.337 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C)OC(=O)c1ccccc1-c1ccccc1C#N 863940054 XFVPGZIDGJTYAY-GOSISDBHSA-N 426.516 5.534 30 20 IKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 915099980 JLCKGIIGXVPCPM-GMAHTHKFSA-N 427.529 5.259 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3NC(=O)c3ccsc3)cn2)c1 915198732 UZRYCTLXXLPCKP-UHFFFAOYSA-N 440.484 5.312 30 20 IKED CCOc1cc2c(cc1CNC(=O)Nc1ccc([C@H](C#N)c3ccccc3)cc1)O[C@H](C)C2 915352838 NWTWZYBZMPXDMK-HOYKHHGWSA-N 441.531 5.386 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OCc1ccc([N+](=O)[O-])cc1 916128097 KVWQTTXUYYQISR-ONNFQVAWSA-N 425.387 5.357 30 20 IKED CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(C)nnc2S)cc1 916304224 FGTZRGPEJBFFAW-UHFFFAOYSA-N 434.594 5.112 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 916896882 PSRJMAVJJCFYPN-LADGPHEKSA-N 448.975 5.819 30 20 IKED Cc1cccc(OCCCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 916906149 CCVPISNZKDKWEQ-JOCHJYFZSA-N 428.488 5.294 30 20 IKED N#C[C@H](C(=O)CCCOc1ccc(Cl)cc1)C(=O)Nc1ccccc1Oc1ccccc1 916907980 KGGMKGKXIXXZEL-OAQYLSRUSA-N 448.906 5.639 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(NC(=O)c3cccs3)c2)cc1 916956070 XOYRQBHZVZFCJS-HRAATJIYSA-N 445.544 5.475 30 20 IKED COc1ccc(S[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916976568 SNUQJWPIOUKVCI-SCLBCKFNSA-N 428.966 5.829 30 20 IKED C=CCNC(=S)/C(=C(/O)c1ccc2c(c1)Cc1ccccc1-2)[n+]1ccc(C(C)(C)C)cc1 917608096 XAJZBNCKLUHBLB-UHFFFAOYSA-O 441.620 5.830 30 20 IKED Cc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(CC(C)C)cc2)cc1 917612041 CLOZVPACAATUPZ-UHFFFAOYSA-O 428.581 5.676 30 20 IKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)C2=Cc3ccccc3CC2)cc1 917757196 MGWVVMXCTXFVAS-UHFFFAOYSA-N 430.529 5.061 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(SC(F)(F)F)cc3)n2)cc1 920139565 UZXZWPMMGJFBEH-INIZCTEOSA-N 434.464 5.921 30 20 IKED N#C[C@H](C(=O)COc1ccccc1Cc1ccccc1)c1nc(-c2ccncc2)cs1 920266069 WXGRGEQWICRZQZ-OAQYLSRUSA-N 425.513 5.051 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccoc4c3)CCC2)cc1 1789452082 ZDAXMGYOPFHZPD-NRFANRHFSA-N 429.520 5.344 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4c(F)cccc4F)CCC3)cc2)cc1 1790707271 GNVFMSASBKYGBR-UHFFFAOYSA-N 445.469 5.092 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)CCc3ccc(F)cc3)cc2)CCC1)C(F)(F)F 1791462379 STKGPYMMPGEQFS-UHFFFAOYSA-N 434.433 5.011 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4occ(Cl)c4c3)CCC2)cc1 1791586271 XSAWHYYFIZANSL-UHFFFAOYSA-N 434.923 5.637 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1csc(-c3ccccc3)n1)C2 1792572213 LRRVZQCPFIXVAT-ACDBMABISA-N 437.609 5.054 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCCCC2(F)F)[nH]n1 1814440278 NSGZMFVUHRRQPO-SJLPKXTDSA-N 436.547 5.220 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccccc2)[nH]n1 1814445701 UIQRNOSKRDSWRB-ONTIZHBOSA-N 434.584 5.198 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2OCC)n[nH]1 1820453283 JCQJLXJWFXFVAF-FQEVSTJZSA-N 438.572 5.107 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(C)(C)C)cc2)n[nH]1 1821149559 VSLRBBCGUKROSI-UTKZUKDTSA-N 438.572 5.105 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2coc(C(C)C)n2)CC1 1823750218 CLJGBJLKCAOKBN-OAQYLSRUSA-N 429.605 5.024 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)ccc2OC)CC1 1823754832 DFSUBZFTNOOTOA-QFIPXVFZSA-N 444.591 5.060 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)c(Cl)c2)CC1 1823909630 FEEIACRKKYPIPL-FQEVSTJZSA-N 438.946 5.093 30 20 IKED Cc1cc(Cl)ccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1 1823912407 RRGGCKQNUSISQJ-XMMPIXPASA-N 449.982 5.067 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](C)c3ccc(Cl)cc3)CC2)C1 1823971761 LTQOJFFQFYBJQA-JPYJTQIMSA-N 429.004 5.029 30 20 IKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(C)C)cc2)CC1)C(F)(F)F 1830060900 OBMHKSZTVATMMR-NRFANRHFSA-N 436.518 5.162 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CSc2c(C)cccc2C)CC1 1831373411 OCSJRJSSULFHDD-GMAHTHKFSA-N 442.669 5.227 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)(C)C)cc1)=C(/S)Nc1ccccc1OC 10118238 YEAXVUJLJCBTTG-UHFFFAOYSA-O 447.624 5.894 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccc(Cl)cc2)cc1 10831691 LZKVETRDWSDTJX-UHFFFAOYSA-O 430.380 5.894 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(C(C)C)cc2)cc1 11264034 MARMQNTZYCCFCE-UHFFFAOYSA-O 431.625 6.328 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(F)c(F)cc2Cl)n(C2CCCCC2)c1C 16582568 UZTCRHATTMOVRJ-UHFFFAOYSA-N 449.885 5.209 30 20 IKED COc1ccccc1NC(=O)C1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 29909082 LZZGHMUPIKDIHU-UHFFFAOYSA-N 425.532 5.085 30 20 IKED N#Cc1ccc(/C=C2/CC(C#N)(c3ccccc3)C/C(=C/c3ccc(C#N)cc3)C2=O)cc1 33748216 WVKOZYIAKOJLLH-CPZPTNFUSA-N 425.491 5.721 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C 59851700 GQGXYEBZZWRSKJ-UHFFFAOYSA-N 426.513 5.103 30 20 IKED O=C(/C(=C(/S)Nc1ccccc1Cl)[n+]1ccccc1)c1cc(Cl)ccc1Cl 98069602 VMQNTWZDBSMWTF-UHFFFAOYSA-O 436.771 5.985 30 20 IKED COc1cc(C(=O)/C=C\c2cc(Br)c(O)c(OC)c2)ccc1SC(F)F 214927331 QPQLSYYGKDWWQO-HYXAFXHYSA-N 445.281 5.383 30 20 IKED COc1ccc(C=Nn2c(-c3ccccc3F)n[nH]c2=S)cc1OCc1ccccc1 254351623 UGZXJZILJIUWDW-UHFFFAOYSA-N 434.496 5.217 30 20 IKED Cc1csc(-c2cccc(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)c2)n1 303746612 ARLQLNLRHWRHOK-XMMPIXPASA-N 439.540 5.692 30 20 IKED CCCn1nccc1C1CCN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)CC1 410256079 YTHVJZFDMZIOID-UHFFFAOYSA-N 428.536 5.285 30 20 IKED CC(C)n1cc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)nn1 428344705 CLTPBYBAFFJCGX-ZDUSSCGKSA-N 434.306 5.290 30 20 IKED N#CCCn1ncc(C(=O)N[C@H]2CCOc3c(-c4ccccc4)cccc32)c1-c1ccccc1 428904681 IFBJECYOSHWLDL-VWLOTQADSA-N 448.526 5.384 30 20 IKED COc1ccc(-c2cc(NC(=O)N(CCC#N)CCC(C)C)ccc2OC(F)F)cc1 429237315 OQKBYAPDXUHAHW-UHFFFAOYSA-N 431.483 5.757 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 431185320 XWGOKOWNDFMSPG-UONOGXRCSA-N 441.944 5.524 30 20 IKED C[C@@H](NC(=O)C1CCC(NC(=O)C(C)(C)C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 433690941 QPXDHHLFXNPYJR-UHFFSCBYSA-N 431.580 5.124 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1 433776806 GGNODUSGUNWNHT-UHFFFAOYSA-N 444.482 6.143 30 20 IKED N#Cc1ccc(S(=O)(=O)Nc2ccccc2COCc2ccccc2)cc1C(F)(F)F 435161107 PYGBJAKQLNRZNP-UHFFFAOYSA-N 446.450 5.095 30 20 IKED C=CCCCCCN(C)C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1O 436910327 PSQYCGKODLJHSU-UHFFFAOYSA-N 445.357 5.225 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)c2)c1 437342405 DQYMXNBUYNFSKZ-UHFFFAOYSA-N 440.286 5.021 30 20 IKED N#CCC[C@@H](NC(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1)c1ccccc1 439308341 ULEXDFKTPQHWPB-JOCHJYFZSA-N 429.476 5.161 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1 441519944 AHQYBYFZVNDVMR-OAQYLSRUSA-N 446.894 5.237 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccncc3Oc3ccccc3)n2)cc1 442506820 JLQYDBLIQHLIEU-FQEVSTJZSA-N 427.485 5.496 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)Nc3ccc(F)c(C#N)c3)C2)n1 446171870 KEZUBGJUROOHFV-OAHLLOKOSA-N 436.512 5.241 30 20 IKED CC(C)(C)c1ccc(NC(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 446352617 WMIOUZCRKCIOGH-UHFFFAOYSA-N 441.531 5.206 30 20 IKED C[C@@H](CC#N)N(C)C(=O)Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1 448152649 AIYADHSUDQMYBY-LBPRGKRZSA-N 429.343 5.492 30 20 IKED N#CCCSc1ccccc1NC(=O)c1c(Cl)cccc1I 463725747 DWCDAEZJAPWEMR-UHFFFAOYSA-N 442.709 5.203 30 20 IKED N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1cc(C(F)(F)F)ccn1 464400757 ARCPRKRSVPQADU-KRWDZBQOSA-N 443.406 5.650 30 20 IKED CC[C@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1nc(C(F)(F)F)cs1 465262839 GBUGAVIRBGVAJT-SFHVURJKSA-N 445.466 5.494 30 20 IKED CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 465286862 BBRLJBRKBQSPLQ-UHFFFAOYSA-N 442.515 5.274 30 20 IKED CC(C)(OCC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)C(F)(F)F 468870809 GIDPXGLOAWCHNU-LLVKDONJSA-N 425.291 5.173 30 20 IKED CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cc(-c2cccc(C#N)c2)no1 469262125 UBZWIYHUUNRNKB-UHFFFAOYSA-N 439.519 5.088 30 20 IKED COc1ccccc1[C@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)OC(C)C 473673772 FZOWJEBJTQMIKO-UWJYYQICSA-N 427.570 5.235 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@@H](c1ccncc1)c1ccc(Cl)cc1 475561972 CZEIQGWRGLCVSA-RUZDIDTESA-N 433.983 6.840 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(Br)ccc1Br 475622956 ZREJKYNMLHZRFD-UHFFFAOYSA-N 438.119 5.123 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)C(F)(F)F 476399173 SNGRYYBSPOSINC-NRFANRHFSA-N 440.469 5.324 30 20 IKED C[C@H]1C[C@H]1c1ccc(CN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C2CC2)o1 479159367 HDUINKKSHKUYFK-NBOOVGJQSA-N 433.552 5.339 30 20 IKED Cc1ccccc1CN1CCC(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 484667923 JNTQRUZPDBWAGH-UHFFFAOYSA-N 425.532 5.053 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cnn(-c3ccncc3)c2C(F)F)cc1F 485886037 ZFSAUCVALNOELW-UHFFFAOYSA-N 449.392 5.260 30 20 IKED Cc1ccc2nc(-c3ccc(NC(=O)CCc4c(C)nn(CCC#N)c4C)cc3)sc2c1 486291659 KQRBSVRRMQMYLS-UHFFFAOYSA-N 443.576 5.570 30 20 IKED Cc1ccc(-n2cnc3c2CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)C3)cc1 486933156 FEXCILUXHJVRNS-SFHVURJKSA-N 431.565 5.165 30 20 IKED O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)N[C@H](CC(F)(F)F)c1ccc(F)cc1 487112545 DZJWXZYHQPQKRR-CABCVRRESA-N 426.307 5.561 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3c(F)cccc3Br)cc2F)c1 487294187 AOPRIMAFZFPSKM-UHFFFAOYSA-N 443.247 5.430 30 20 IKED COc1ccc([C@H]2CCCCCN2C(=O)CSc2nc(C(F)(F)F)ccc2C#N)cc1 488793588 CAHOXDZCIUXEEP-GOSISDBHSA-N 449.498 5.217 30 20 IKED Cc1csc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1Br 489897310 LRXMONPXYRRFIE-UHFFFAOYSA-N 449.317 6.096 30 20 IKED N#Cc1ccc(CN[C@@H](c2ccccc2OC(F)F)C(F)(F)F)c(Br)c1 491380596 NTKBEYJVWGCYSK-HNNXBMFYSA-N 435.190 5.315 30 20 IKED N#Cc1ccccc1-c1ccc(CS(=O)(=O)Cc2csc(-c3ccsc3)n2)cc1 494753551 PBKASLVVESILBN-UHFFFAOYSA-N 436.583 5.525 30 20 IKED COCC1(C#N)CCN(C(=O)N[C@H](c2ccc(Cl)cc2)c2ccccc2Cl)CC1 497695828 IOMJOMDHSUMVRX-HXUWFJFHSA-N 432.351 5.045 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1 497945500 ZTVNXRVJCBZKJK-KRWDZBQOSA-N 446.513 5.640 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)c2cccc(F)c2F)nnc1-c1ccc(Cl)cc1 500483239 FXZQMUYHCHFFOM-CYBMUJFWSA-N 448.926 5.032 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(c3nc(-c4ccccc4)c4ccccc4n3)CC2)c1 502288163 AGQWGUWQVJNFDG-UHFFFAOYSA-N 433.515 5.024 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)NCc2csc(-c3ccccc3)n2)c1 503172350 YFOYDYJHJQJQHY-UHFFFAOYSA-N 425.513 5.191 30 20 IKED CCOc1ccc(-c2nc(CC(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)cs2)cc1 505958986 CQTZIWOFYRMBMP-LJQANCHMSA-N 445.466 5.151 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2cccc(SC)c2)cc1 507808972 DSCNUGNQLLKXFT-MRXNPFEDSA-N 433.533 5.520 30 20 IKED COc1ccc(CCCN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 508276516 UIRXAFZMMLFGCH-UHFFFAOYSA-N 445.519 5.464 30 20 IKED COc1ccc([C@@H](NC(=O)N2CCC(C)(C#N)CC2)c2ccc(C(F)(F)F)cc2)cc1 508381204 HKFCGHNDLGLTBZ-FQEVSTJZSA-N 431.458 5.139 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[C@H](CC(F)(F)F)C1 508745655 HXBAGTVEWBLSOF-IAGOWNOFSA-N 430.474 5.536 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N[C@H](C[C@H]3CCOC3)c3ccccc3)c2)c1 510053467 FKWMLDDGLOWGMY-ATIYNZHBSA-N 426.516 5.035 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(CCc3ccccc3)CC2)cc1 511032002 QHEMGDQBTCKUBO-UHFFFAOYSA-N 431.580 5.378 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NCCc3nc4ccccc4n3C(F)F)cc2)cc1 511387974 NLJYOILHKMSEDU-UHFFFAOYSA-N 446.457 5.262 30 20 IKED CC(C)(C)c1csc(C2CCN(C(=O)c3occc3COc3cccc(C#N)c3)CC2)n1 511421909 HMUVRBZPQIASES-UHFFFAOYSA-N 449.576 5.504 30 20 IKED Cc1cc(-c2nc([C@H](F)c3ccc(C(F)(F)F)cc3)no2)nn1-c1cccc(C#N)c1 512001768 ZONFEWTVPRBXSY-GOSISDBHSA-N 427.361 5.180 30 20 IKED COc1cccc(CN(C)C(=O)N[C@H](C)c2ccc(C#N)cc2)c1OCc1ccccc1F 512120277 FQOCLQLOMTYJMC-GOSISDBHSA-N 447.510 5.188 30 20 IKED COc1ccccc1OCc1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)o1 514425093 SKGRBTNGCHZGQU-UHFFFAOYSA-N 431.473 5.115 30 20 IKED C=CCN1CCC(NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)CC1 517987791 DZLHYWPZXMFZPU-UHFFFAOYSA-N 435.999 5.042 30 20 IKED CCOC(=O)C[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(F)cc1 518259875 QRNCODTTZOINAL-KXBFYZLASA-N 429.517 5.036 30 20 IKED C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 518905369 UXUWMHRKKLEJDF-YKSBVNFPSA-N 425.532 5.110 30 20 IKED COc1ccc(CCCNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC 519943555 VOLMFEGDRWTONW-UHFFFAOYSA-N 431.492 5.122 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2nc3cc(Cl)ccc3s2)cc1C 519943861 GKEUXIFQFXTLEJ-UHFFFAOYSA-N 449.967 5.274 30 20 IKED COc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1NC(=O)C1CCCCC1 522600809 UMEAZXJDCUJFQR-UHFFFAOYSA-N 448.567 5.528 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1 523491474 RPRSONFUFCURPN-UHFFFAOYSA-N 444.409 5.676 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c1 523942716 ALOCSOMCBCZQML-HSZRJFAPSA-N 436.870 5.357 30 20 IKED N#C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1ccc(F)cc1 524320908 YTQLGAQPRGMJRZ-HXUWFJFHSA-N 430.414 5.040 30 20 IKED Cc1cc(C)n(-c2ccc(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)cc2)n1 524337295 BAQIYGFQPIJGOS-AREMUKBSSA-N 436.515 5.063 30 20 IKED COc1ccccc1OCc1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)o1 524711774 LFZCPRFYOVCURQ-UHFFFAOYSA-N 440.455 5.783 30 20 IKED Cc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c1 526101014 LDSMUESHUJPZNA-UHFFFAOYSA-N 439.393 5.255 30 20 IKED CC(C)S(=O)(=O)c1ccccc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 530648753 CHYIEMWMNROLDD-UHFFFAOYSA-N 436.558 5.144 30 20 IKED Cn1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C(F)F)n1 533173237 SBXXLHLMPAAMLJ-SNVBAGLBSA-N 427.263 5.278 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3c([nH]c4ccccc34)C2)cc1Cl 534775850 IFWAAUXPMVEEEO-QFIPXVFZSA-N 440.934 6.067 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC3(c4ccc(F)cc4F)CCOCC3)cc2)cc1 535555763 FZRKSOJJWQTHSG-UHFFFAOYSA-N 448.469 5.259 30 20 IKED CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(C2(C#N)CC2)cc1 539684646 PSCIKPSMTNGQCQ-UHFFFAOYSA-N 430.527 5.256 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(CNc2ccncn2)c1 541679046 GAGPRVCFGWQRPY-UHFFFAOYSA-N 435.487 5.313 30 20 IKED CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)N1CCC(CC#N)CC1 542902777 UKFVVZYMZJJUSX-UHFFFAOYSA-N 425.554 5.366 30 20 IKED O=C(CC[C@H]1CCOC1)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 543084656 PLSIFXOHBRTOQL-LKFCYVNXSA-N 437.302 5.261 30 20 IKED N#C[C@@H](NC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1)c1c(Cl)cccc1Cl 543279678 SWPVMSNGYHKNHV-HNAYVOBHSA-N 431.367 5.181 30 20 IKED COC(=O)c1ccc(Cl)c(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1C 546643877 YMBAYCKJHWWTMO-UHFFFAOYSA-N 434.879 5.138 30 20 IKED O=S(=O)(Cc1ccc(C(F)F)cc1)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 555338763 NIZPZWFITZXHOJ-CQSZACIVSA-N 447.347 5.366 30 20 IKED CCc1ccc([C@@H](C#N)NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)cc1 571801153 IUTGVEIBPYNMJK-HXUWFJFHSA-N 449.580 5.079 30 20 IKED Cc1ccc(C(=O)NCC(C)(C)CCC#N)cc1NC(=O)c1ccc(Br)cc1 573099869 ARMJTBJTFJWYJB-UHFFFAOYSA-N 442.357 5.070 30 20 IKED C=CCN(C(=O)c1csc(-c2ccccc2Cl)n1)c1nc(-c2ccccc2)cs1 589287818 PQTPVOZOAFZWSW-UHFFFAOYSA-N 437.977 6.420 30 20 IKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 603521287 NDRJWYHPDVQXAT-GOSISDBHSA-N 429.545 5.089 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1Cl 608937706 HQWVQSSYERCBJH-RUZDIDTESA-N 443.978 5.846 30 20 IKED COc1cccc(NCc2nnc(S[C@H](C#N)C3CCCCC3)n2C2CCCCC2)c1 609649084 WJNVCRXEAWVLLM-JOCHJYFZSA-N 439.629 5.969 30 20 IKED CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1 609695299 NWNNUVKSHDQWLM-YTTGMZPUSA-N 446.572 5.437 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)cc1 609914078 XMXMUAACGVVISZ-JOCHJYFZSA-N 430.548 5.694 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)c1C 610053766 NKECCGWUFDANET-OALUTQOASA-N 425.319 5.410 30 20 IKED Cc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1OCC1CCOCC1 610155339 IZCHHJZSGAJIGC-UHFFFAOYSA-N 443.503 5.112 30 20 IKED Cc1[nH]nc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1-c1cccc(Cl)c1 610354575 MXGGXUVBNATVGN-UHFFFAOYSA-N 442.906 5.742 30 20 IKED C[C@H](NC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1)c1cccc(C#N)c1 610362687 UBBRAGXRCKJOKP-AOMKIAJQSA-N 435.321 5.318 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H](C[C@@H]3CCOC3)C2)cc1 611357285 RFFVGPYZONSIKV-YADHBBJMSA-N 433.552 5.002 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 613292789 XBMBCWLHMUQZLZ-KRWDZBQOSA-N 445.931 6.001 30 20 IKED COc1cc(CN2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)ccc1C#N 619674476 FPZKXTWZOBKUIW-RUZDIDTESA-N 446.595 5.256 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1(c2ccc(F)cc2)CCCC1 642157484 VWHQZJFRGTXOEF-KBPBESRZSA-N 425.388 5.663 30 20 IKED C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 670232416 YBVUXPFLUZDZOK-FQEVSTJZSA-N 443.551 5.267 30 20 IKED C=CCC[C@H](NC(=O)N1CCC(c2c(OC)cc(OC)cc2OC)CC1)c1ccccc1 676423316 OJYPTXGRMQTUQT-QFIPXVFZSA-N 438.568 5.309 30 20 IKED C[C@H](NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2)C(F)(F)F 685240648 RNVVNZUVABAFCB-QXWKGMMJSA-N 425.335 5.176 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 726572986 UDRCDENETBNPKQ-UHFFFAOYSA-O 427.593 5.885 30 20 IKED C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H](C)Sc2ccc(NC(C)=O)cc2)c1 728248654 SRIQRHTVHFKEHA-IBGZPJMESA-N 428.557 5.340 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)c1 730396561 RZHRYMXUKUZSRL-KRWDZBQOSA-N 444.434 5.583 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)cc1 730397206 ZXWUQTPDDXIUCK-KRWDZBQOSA-N 433.826 5.104 30 20 IKED COc1cc(/C=C2/CCc3nc(-c4ccccc4Br)sc3C2=O)ccc1O 730435930 HHKXPXRNBDZIEO-RAXLEYEMSA-N 442.334 5.499 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 731288041 OBNKRRMFABBREG-SDHOMARFSA-N 446.506 6.083 30 20 IKED COc1cc(C)c(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)cc1OC 731318507 JCHMWLIUZWOOSJ-VAWYXSNFSA-N 435.907 5.814 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)c1 733771102 MHFXDUXGVOXONY-QGZVFWFLSA-N 442.487 5.627 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)OCc3nnc(-c4cccc(Cl)c4)o3)c2)c1 734590715 HKKRHZXOHWKOMD-UHFFFAOYSA-N 445.862 5.198 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc(N3CCC(O)CC3)cc2)c1 735113866 APIUESZYUTVMJW-UHFFFAOYSA-N 447.922 5.217 30 20 IKED CCC(=O)Nc1ccc(Cl)c(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1 740437437 PQENBONBHYUKIU-UHFFFAOYSA-N 438.940 5.610 30 20 IKED COCCOc1cccc(F)c1C(=O)/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)s1 741840660 BJHVGWJYLGPMAQ-CSKARUKUSA-N 427.453 5.384 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@H]2c2cccc(C)c2C)c1=S 742153515 QWDSUSQXWRWPBI-QFIPXVFZSA-N 434.609 5.687 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CC[C@H]2c2cccc(F)c2)c1=S 743389150 IIEKQUZQGSANTJ-FQEVSTJZSA-N 444.963 5.376 30 20 IKED C[C@H](CCc1cccc(F)c1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 744029012 PREDLFSKBSRFFC-GCJKJVERSA-N 430.479 5.534 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)c1 744037408 UUWMZPGBTLXJLD-UHFFFAOYSA-N 435.527 5.638 30 20 IKED C/C(=C/C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1cccc(C(F)(F)F)c1 744060987 DNVCSUXRCORLNM-BZPDREMPSA-N 437.446 5.980 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3cccc(OCc4ccc(Cl)cc4)c3)o2)c1 744956425 MLYIMFCRGXIANU-UHFFFAOYSA-N 445.862 5.198 30 20 IKED CCCN(CC(=O)[C@H](C#N)c1nc2ccccc2s1)Cc1ccccc1Br 746143441 GWGADLZLRDIMSI-INIZCTEOSA-N 442.382 5.147 30 20 IKED C=CCn1c(SCc2cscn2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 748575440 BVSACKSPFMBICF-UHFFFAOYSA-N 429.567 5.507 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCC(c3c(C)[nH]c4ccccc34)CC2)cc1C#N 752299534 PHQTTWUTSNRVOA-UHFFFAOYSA-N 445.523 5.328 30 20 IKED COc1ccc(-c2nn(CN(C[C@H](C)C#N)C3CC3)c(=S)n2C2CCCCC2)cc1 753987003 FUUHPNUVVHAVIR-QGZVFWFLSA-N 425.602 5.176 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)cc1 754393828 HRXPAAPCCRQOBG-FPOVZHCZSA-N 434.586 5.499 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2cccc(CN3CCOC3=O)c2)cc1Cl 761332576 VEJVAPBUZAGCSC-UHFFFAOYSA-N 447.878 5.208 30 20 IKED N#CCOc1ccc(CNC(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)cc1 762982924 FMRUENSCYCMMIA-UHFFFAOYSA-N 448.228 5.159 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCCCC[C@@H]3C[C@H](O)c3ccco3)c2)cc1 762984995 CCXPUSDSKSHFHB-QPPBQGQZSA-N 430.504 5.452 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCc3c(sc4ccccc34)C2=O)cs1 763100500 JSCAVCVAPUXLPW-GHRIWEEISA-N 444.581 6.563 30 20 IKED N#Cc1ccccc1COc1cccc(/C=C\C(=O)c2c(F)cccc2N2CCOCC2)c1 764436912 XOXKQHOPHGYMAG-QXMHVHEDSA-N 442.490 5.009 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)Cc1ccc(Br)cc1 765916122 PGUBIZSBZMBMEM-FOIQADDNSA-N 441.369 5.100 30 20 IKED CCCOc1c(Cl)cc(C=NOCc2nnc(-c3ccccc3)s2)cc1OCC 766398204 QMLIBQFQXFJHSJ-UHFFFAOYSA-N 431.945 5.597 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSC1CCN(C(=O)OC(C)(C)C)CC1 778774766 GDFYDKOYPIWPLT-MRXNPFEDSA-N 449.642 5.152 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)CC1(Cc2nc3ccccc3s2)CCCCC1 781034800 OMPWVPRSTSTMCE-SFHVURJKSA-N 433.577 6.109 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)C2(c3ccc(C#N)cc3)CC2)cs1 781401675 SSZDGNOQYUKJLY-UHFFFAOYSA-N 445.544 5.091 30 20 IKED C[C@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1nnc(-c2ccccc2F)s1 783634232 SLOFZCPFFGHMBM-AWEZNQCLSA-N 446.463 5.321 30 20 IKED COc1ccc2c(c1)C(C)(C)/C(=C/c1csc(N(C(C)=O)c3ccc(C)cc3)n1)C2=O 788738622 JOPRSSBYKYCDJL-WSDLNYQXSA-N 432.545 5.702 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1 789343736 HLIJDWVKTYYSSW-HNNXBMFYSA-N 432.785 5.580 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)[C@H](C#N)c1nccc2ccccc12)c1ccccc1 792095702 XHDIBVVQBVNOQJ-VXKWHMMOSA-N 429.520 5.457 30 20 IKED COC(=O)c1csc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)c1 794723701 JJYBQWBJEHVOIU-KTKRTIGZSA-N 425.893 5.337 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(=O)c4ccc(F)cc4o3)cc2Cl)c1 796082879 IQVYMYJNNYOQCC-UHFFFAOYSA-N 448.837 5.288 30 20 IKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2cccc(C)c2)N=C1C 798149110 OSYWUMKLMGYAIO-UHFFFAOYSA-O 440.976 5.254 30 20 IKED C[C@H](C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 798390932 YHHSTTSEDQLZMX-OLRMPSLUSA-N 435.330 5.835 30 20 IKED CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 799781549 DYODPIAMKNLIIK-HXUWFJFHSA-N 449.551 5.118 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 802042990 NKTSXWBAGHROJE-SUMWQHHRSA-N 442.796 5.034 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ccc([N+](=O)[O-])cc2C)cs1 807989929 QFQJEJJPDSYWTH-UHFFFAOYSA-N 429.889 5.144 30 20 IKED N#C[C@H](C(=O)Cc1csc2ccc(Br)cc12)c1cc(C(F)(F)F)ccn1 813217451 GOXBVYIPRDMUTK-AWEZNQCLSA-N 439.256 5.497 30 20 IKED N#CCN(C(=O)CSC1=NC(=O)/C(=C\c2csc3ccccc23)S1)c1ccccc1 814770776 GDJNRIZWUGHTPN-XDHOZWIPSA-N 449.582 5.162 30 20 IKED CC(C)(NC(=O)c1cccc(Cl)c1)c1noc(C2(c3ccc(C#N)cc3)CCCC2)n1 904600487 MJZNRQBDWUNOJI-UHFFFAOYSA-N 434.927 5.120 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1 915088107 ZKCXFGZHFPNXML-LJQANCHMSA-N 438.314 5.017 30 20 IKED N#C[C@@H](C(=O)COCc1nc2ccccc2s1)c1nc(-c2ccc(Cl)cc2)cs1 915102050 QHZNQIXBGIRBGF-HNNXBMFYSA-N 439.949 5.466 30 20 IKED C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 916057924 YYIYBYIRXXAUDK-JOCHJYFZSA-N 427.891 5.061 30 20 IKED O=C(/C=C/c1c(Cl)nc2sccn12)c1ccc(Br)cc1Br 916140356 OFWBKSMBTMRVPV-ONEGZZNKSA-N 446.551 5.470 30 20 IKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(C3CCCC3)C2=O)cc1 916211646 DZSLWVVSQBMWQJ-JOCHJYFZSA-N 449.576 5.101 30 20 IKED Cc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)c(C)n1Cc1ccco1 916546470 SLEVUMDIMJTFJT-UHFFFAOYSA-N 425.945 5.166 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(F)ccc2Br)cc1 916707894 AIMVJVUPZNAPCE-FQEVSTJZSA-N 438.300 5.565 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)/C=C/c1cc(C)n(C2CCCCC2)c1C 916921794 BPMUXGDODDPJNW-FRFYRWIFSA-N 433.552 5.370 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc(-c2ccncc2)nc2ccccc12 917714124 WRPRJXZVTNXUQJ-UHFFFAOYSA-N 432.508 6.149 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 920104721 XOOCKSWNPCPYAQ-MRXNPFEDSA-N 437.286 5.174 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ncc(-c4ccc(C)cc4)o3)n2)cc1 920140853 CNQWQMYJIVEWSA-HXUWFJFHSA-N 443.528 5.591 30 20 IKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc5cc[nH]c5c4)CCC3)cc2)cc1 1785881831 RMTAATHWPSGDAJ-UHFFFAOYSA-N 448.526 5.030 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)C4CC(F)(F)C4)cc3)CCC2)c(Cl)c1 1785909074 LTRQKNBJYGJZDP-UHFFFAOYSA-N 443.881 5.005 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)CCCC4=O)cc2)CCC1 1789041441 XFHNZKZBULTAAE-SFHVURJKSA-N 430.548 5.166 30 20 IKED C/C(=C\c1ccc(C)o1)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3)CCC2)cc1 1789585784 OXISOBPOZUFQIX-OBGWFSINSA-N 439.515 5.311 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccoc4)CCC3)cc2)c1 1792127338 WFUATVRETFKSDH-LJQANCHMSA-N 441.531 5.287 30 20 IKED Cc1cscc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1818242526 VAJNOLBQQWGUSE-YCRPNKLZSA-N 447.564 5.026 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)c2ccc(Cl)cc2)CC1 1823978063 TZMJIIINYSXKDC-YYDVJCTNSA-N 431.020 5.275 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)ccc2C)CC1 1828827129 IHOWLVULAJRRDE-UKILVPOCSA-N 438.612 5.005 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C2CCCCC2)CC1 1828827560 PAEVVFWEFPFODA-HGMGIVORSA-N 426.645 5.511 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccoc23)CC1 1830990738 VXVJMBSSMVPVDK-QHCPKHFHSA-N 436.596 5.659 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3sccc3c2O)CC1 1831376485 OORODECIDDPFSR-DYESRHJHSA-N 440.609 5.052 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3sccc3c2O)CC1 1831376487 OORODECIDDPFSR-LAUBAEHRSA-N 440.609 5.052 30 20 IKED C=CCC(=O)N1CCCC12CN(C(=O)c1ccccc1Oc1cccc3ccccc13)C2 1846377626 AYHLIHGJLRYVSA-UHFFFAOYSA-N 426.516 5.025 30 20 IKED C[C@@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)N(CCC#N)c1ccccc1 10015104 CIFRSZHMCGSEFQ-GOSISDBHSA-N 449.580 5.471 30 20 IKED O=C(/C(=C(/S)Nc1ccc(Cl)c(Cl)c1)[n+]1ccccc1)c1ccc(F)c(F)c1 11159002 DOMXIQCZUHRPDJ-UHFFFAOYSA-O 438.306 5.610 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccccc2F)cc1 11170689 ZIHNSXWGTGBGRF-UHFFFAOYSA-O 429.487 5.395 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 14496988 MZORJYBXBWFWNI-UHFFFAOYSA-N 430.558 5.603 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)nnc1C1CC1 21143722 JBJGRARFOFDUKQ-OAQYLSRUSA-N 434.565 5.131 30 20 IKED CCCN/C(S)=C(/C(=O)c1ccc(C(C)C)cc1)[n+]1ccc(Cc2ccccc2)cc1 22805345 URMHXFCBXPJJAA-UHFFFAOYSA-O 431.625 5.627 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C)nc2sc(C)c(C)c2c1=O 23405012 RTKYVTKCBUXUQO-CQSZACIVSA-N 448.013 5.342 30 20 IKED Cc1cc(N[C@@H](c2ccc(Cl)cc2)c2nccn2C)n2c(nc3ccccc32)c1C#N 25251905 VMWQWXHOCZJQCH-QFIPXVFZSA-N 426.911 5.256 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)c2C#N)C1 33000077 WEKULDGCPFUSPF-ZDUSSCGKSA-N 440.956 5.409 30 20 IKED N#Cc1cc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OCC(F)(F)F 60690603 GNNSUFYZNLPCGU-UHFFFAOYSA-N 439.393 5.004 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)c1C#N 65158254 OCTVRYBXFOKADD-UHFFFAOYSA-N 442.544 5.081 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ncc(Cc3ccccc3)s2)cc1 255949150 HXLSGPLIQJTPCD-UHFFFAOYSA-N 441.581 6.150 30 20 IKED N#Cc1ccc(CCC(=O)Nc2sc3c(c2-c2nc4ccccc4[nH]2)CCCC3)cc1 302900785 WQOAUJHCZXTDSP-UHFFFAOYSA-N 426.545 5.613 30 20 IKED Cc1cc(C)cc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 410401026 UTCPEBWYCRAAMQ-LJQANCHMSA-N 427.504 5.092 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)C(C)(C)c2csc(-c3ccccc3F)n2)cc1 432069398 MNIPXEGOAOBTKU-UHFFFAOYSA-N 438.528 5.173 30 20 IKED CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2F)c2cccs2)cc1 433519147 KDNFNMXQRNMXNY-OYHNWAKOSA-N 435.524 5.117 30 20 IKED Cc1c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nnn1Cc1ccc(F)cc1 435666127 ZDKTUOPILJZBIW-UHFFFAOYSA-N 446.326 5.064 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(CCc3ccccn3)Cc3ccncc3)cc2)c1 436338440 PRBBTPYHPRHBHE-UHFFFAOYSA-N 449.514 5.417 30 20 IKED C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 437993587 FKYKLZOKSBKKED-XDHUDOTRSA-N 447.485 6.030 30 20 IKED CC(C)Oc1ccc(-c2cccc([C@@H](C)N(C)C(=O)C(=O)Nc3cccc(C#N)c3)c2)cc1 442079876 NVBDFKCDBDYCFQ-LJQANCHMSA-N 441.531 5.171 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC3(CCCCC3)C2)cc1Cl 442257476 UODFWCBKGFZVEV-NRFANRHFSA-N 435.955 5.117 30 20 IKED CCN(CC)C(=O)CCC1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1 444685219 RAGZMLQEBJRZSK-UHFFFAOYSA-N 431.624 5.247 30 20 IKED N#Cc1cc(F)c(C(=O)Nc2nc(-c3sccc3Br)cs2)c(F)c1 445804858 CYLZVDQLJZWFQU-UHFFFAOYSA-N 426.267 5.036 30 20 IKED CN(C)[C@H]1CCOc2c(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cccc21 447730303 PTXZNOVUCZAFLB-QHCPKHFHSA-N 443.572 5.488 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)cc1 448009304 BWDQPSXPDAVNOB-HXUWFJFHSA-N 441.373 5.359 30 20 IKED N#Cc1cccc(-c2nnc(N3Cc4ccccc4-c4ccccc4C3)n2C[C@H]2CCOC2)c1 461607569 WFSGFCIMXCXSRO-OAQYLSRUSA-N 447.542 5.040 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)cc1 462264288 WKVFSBKUEJKFMZ-QPPBQGQZSA-N 443.503 5.401 30 20 IKED C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(C(=O)NC(C)(C)CC)c(Cl)c1 463579621 VLWKKGMHUKOTOG-UHFFFAOYSA-N 430.932 5.084 30 20 IKED CCn1ncc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1C(F)(F)F 466499937 PAILEMQLVLLDQU-UHFFFAOYSA-N 434.805 5.491 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 469705821 NUAZZQRSVKKGHS-HOTGVXAUSA-N 427.545 5.749 30 20 IKED CC(C)(c1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1)C(F)(F)F 469820794 QXZYBZSXOIMCNY-UHFFFAOYSA-N 443.469 5.362 30 20 IKED CSc1cccc([C@H](NCc2nnc(-c3cccc(C#N)c3)o2)c2ccc(F)c(F)c2)c1 471642745 DMNSZINBYDJPBU-QHCPKHFHSA-N 448.498 5.488 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc2sc(N3CCCC3)nc2s1 475774046 RMIBLZHXIGOTTC-CYBMUJFWSA-N 428.608 5.605 30 20 IKED COc1ccc(-c2nnc(SCCCC(C)(C)C#N)n2C2CCCCC2)cc1OC 475958332 NYXQEFFQCOUCOS-UHFFFAOYSA-N 428.602 5.890 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 476154393 NVYQVXNXJRTPQK-UHFFFAOYSA-N 449.580 5.622 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)c3ccc(-c4ccccc4C(F)(F)F)o3)CCO2)c1 476342305 USCUMJJSXJRVBI-NRFANRHFSA-N 426.394 5.051 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](c1ccccc1)c1ccc(OCC)cc1 481194129 ADOINQNTIYNEKE-RUZDIDTESA-N 434.536 5.048 30 20 IKED C[C@@H](NCc1ccc(C#N)cc1Br)c1cccc(NC(=O)c2ccccc2)c1 481271315 SNUMYGKLYGNKHC-MRXNPFEDSA-N 434.337 5.424 30 20 IKED N#CCCN(CC(F)(F)F)C(=O)c1oc2ccccc2c1CSc1ccccc1F 482648941 GLIPVMPKYXPPMN-UHFFFAOYSA-N 436.430 5.782 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)CCCCc3nc4ccccc4s3)s2)cc1 487471251 JIEXGRIMIARJEH-UHFFFAOYSA-N 432.574 5.567 30 20 IKED C=CCn1c(SCCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccoc1C 487995653 AMHJTXXGPSNQHF-UHFFFAOYSA-N 436.459 5.172 30 20 IKED CC[C@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1C(C)(C)C#N 488072661 KDAHZZVAGVBTTB-KRWDZBQOSA-N 431.502 5.746 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)nnc1-c1ccccc1C 488881641 SURBEGMVNYRHHV-AWEZNQCLSA-N 430.936 5.351 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)cc1 489267808 LLAALSPYQLXQCQ-UHFFFAOYSA-N 439.422 5.104 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 489288319 MBBCHZGNPFVQCP-XMMPIXPASA-N 440.490 5.122 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)nnc1-c1cccs1 489429733 OFWQEDQXPUIIQQ-GJZGRUSLSA-N 430.624 5.098 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)n1 490696964 RRVJFGHEHYMKBZ-QGZVFWFLSA-N 436.562 5.280 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)c1oc2ccccc2c1CSc1ncccn1 499798583 KBOBBNHVXCDCHF-UHFFFAOYSA-N 445.544 5.352 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(CC(=O)Nc2ccccc2Cl)no1 504240703 FRLGYBLDJBORBG-UHFFFAOYSA-N 437.805 5.155 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCOC[C@H]1c1nc2ccccc2s1 505338639 IAINLMLUGHQYLD-YJBOKZPZSA-N 438.578 5.296 30 20 IKED N#C[C@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1c(Cl)cccc1Cl 505515272 VHBAIJMXEUBTFX-INIZCTEOSA-N 430.316 5.302 30 20 IKED N#CCCCn1cc(C(=O)N2CCCC[C@@H]2c2ncc(-c3ccccc3)[nH]2)c2ccccc21 507272188 YOYUJWYBGXCCNZ-RUZDIDTESA-N 437.547 5.703 30 20 IKED COc1ccccc1CN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C1CC1 509917463 DFAZMVZTJYQYOG-UHFFFAOYSA-N 441.531 5.537 30 20 IKED C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510243597 RRWLJGLRFXWTOC-ZDUSSCGKSA-N 443.985 5.580 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)ccc1OCc1ccncc1 510584760 POCSCZQXNNAWEM-GOSISDBHSA-N 444.535 5.353 30 20 IKED COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 511337271 HDZNMNXVGNDMGE-SFHVURJKSA-N 445.519 5.232 30 20 IKED CC(C)(C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1cc(F)cc(C#N)c1 511695391 MIJMMUUBELTDCI-UHFFFAOYSA-N 448.369 5.063 30 20 IKED COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1 513677563 YKAXHOFBBRDPAJ-GOSISDBHSA-N 445.456 5.495 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@H](C#N)c1nc2ccccc2n1C 513681534 DUQZPDJMAZJCMA-HNNXBMFYSA-N 448.935 5.339 30 20 IKED COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)[C@@H](C#N)c2nc3ccccc3o2)c1 515597579 QOCHFCSZAGVHTH-OAQYLSRUSA-N 448.482 5.488 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 517473228 KKNOZAKEJZRJNV-XMSQKQJNSA-N 443.572 6.251 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 517600345 RLBILCLPTITBAO-HNAYVOBHSA-N 448.464 5.088 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 518256614 IQCXEAWINNZNNG-QGZVFWFLSA-N 444.000 5.604 30 20 IKED COc1cc(Cl)ccc1CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 518631486 AVLBPAJPVWMCIF-UHFFFAOYSA-N 435.911 5.315 30 20 IKED N#CCCCOc1cccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)c1 519258856 JKISNABYAFEKKF-QFIPXVFZSA-N 439.943 5.009 30 20 IKED Cc1ccc(-n2nc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c3c2CCCC3)cc1 519515369 FMUHQWCWCKNDER-GOSISDBHSA-N 430.577 5.706 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1ccccc1)c1ccc(OCC)cc1 520133644 DYVNMHBFUKJQFT-SANMLTNESA-N 425.532 5.444 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1 521748340 SORLPIQGJMLGAO-MZMPZRCHSA-N 430.371 5.378 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CCSc2ncnc3sc(C)c(C)c23)cc1 521753404 KSRXIYNUQLTZEA-UHFFFAOYSA-N 440.594 5.136 30 20 IKED Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 523957322 SGTHEQUWHXMYNV-UHFFFAOYSA-N 447.922 5.703 30 20 IKED Cn1ncc(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)(F)F)c1C(F)F 524820293 RNUOQLJLSXVPNU-UHFFFAOYSA-N 433.324 5.283 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)Nc3cccc(CSCc4ccccc4)c3)CC2)o1 530284210 LHFMSXJIZKGLKZ-UHFFFAOYSA-N 446.576 5.143 30 20 IKED C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCC(Oc2cccc(C#N)c2)CC1 532585092 SSEQEKMSMGPAMG-FQEVSTJZSA-N 425.532 5.415 30 20 IKED CC(C)(C)S(=O)(=O)Cc1cccc(NCc2cccc(OCc3cccc(C#N)c3)c2)c1 532895678 BEVYWBGWASEUGX-UHFFFAOYSA-N 448.588 5.463 30 20 IKED CC[C@@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1nnc2n1CCCCC2 534875629 PENSINMCOYTTIA-LJQANCHMSA-N 449.942 5.203 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccn(-c4ccc(Cl)cc4)n3)n2)cc1 535315837 VJBRFJHMDRDUSJ-SFHVURJKSA-N 429.892 5.011 30 20 IKED C=C[C@@H](CC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1)c1ccccc1 536189232 YCVYUCCMTHRSMY-FQEVSTJZSA-N 425.532 5.575 30 20 IKED N#C[C@H](C(=O)c1cccc([C@H]2CCOC2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 536442344 ODYAOZLWJYWHKM-MAUKXSAKSA-N 443.355 6.111 30 20 IKED Cc1ccccc1NC(=O)[C@@H]1CCc2ccccc2N1C(=O)c1ccc(C2(C#N)CC2)cc1 539632659 OFQLQMMBMQDNJL-VWLOTQADSA-N 435.527 5.151 30 20 IKED CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(C#N)c(Cl)c1 540274270 MQHKBUDCACPLHN-UHFFFAOYSA-N 433.320 5.060 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F 541445904 ACQYVFQYCGRYEJ-PIGZYNQJSA-N 429.414 5.642 30 20 IKED CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 543612690 HYLUYFMNMRYXRL-DHLKQENFSA-N 445.494 5.874 30 20 IKED COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N2CCC(CC#N)CC2)cc1 543836163 JLJAPMAAONSSBL-UZYVYHOESA-N 437.543 5.496 30 20 IKED COc1cc(OC)c(NC(=O)CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1Cl 543871397 VEFUPPKFWZALBV-INIZCTEOSA-N 449.938 5.185 30 20 IKED N#CCCN(C(=O)CCc1nc(-c2ccc(OC3CCCCC3)cc2)no1)c1ccccc1 546358787 CMFHKGJDWJXOCP-UHFFFAOYSA-N 444.535 5.328 30 20 IKED Cc1cc(CNC(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)no1 547856576 HLPVKQYHABWJMC-GFCCVEGCSA-N 449.273 5.123 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(-c3ccncc3)c(C)c2)cc1C 552881803 PSUBSIFBPZCZQC-UHFFFAOYSA-N 435.531 5.703 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 554760076 LZPKDNPVOKBUCH-OAQYLSRUSA-N 448.485 6.043 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(Oc2cccnc2)cc1 557992714 XILYMOVNSMIXNT-SFHVURJKSA-N 436.471 5.424 30 20 IKED Cn1c(-c2cc(-c3ccccc3Cl)nc3ccccc23)nnc1N1CCC(CC#N)CC1 558669574 HGGGTZGEHYCASG-UHFFFAOYSA-N 442.954 5.481 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 564344187 XYIQFZZOIPLJLK-UHFFFAOYSA-N 447.514 5.877 30 20 IKED CSc1ccc(-c2nsc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)n2)cc1 565564933 BVJSFPFIGRUURQ-MOPGFXCFSA-N 435.578 5.231 30 20 IKED C[C@@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)c1cc(C#N)ccc1Cl 570599129 BYEXDFXAFAZUCC-QGZVFWFLSA-N 429.907 5.184 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCc4c(ccc(Cl)c4Cl)C3)cc2)ccn1 575222150 RUXNZJMHIARINZ-UHFFFAOYSA-N 439.302 5.643 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc(Br)c1OC 576128689 UBFMMBMVYWBESI-AWEZNQCLSA-N 443.322 5.080 30 20 IKED C=CCOc1ccccc1CNC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 599813473 AWKFWKTZUDGVLH-UHFFFAOYSA-N 432.467 5.253 30 20 IKED COc1cc(CCC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc(OC)c1 603532886 CJHKNOVYIRZGNN-UHFFFAOYSA-N 432.495 5.189 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N(CCc1ccc(F)cc1)C1CC1 604914280 ABQHUQKRVOBJIO-KBPBESRZSA-N 440.403 5.452 30 20 IKED C=CCN(C(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1)c1nc(-c2ccccc2)cs1 607443593 LFZAFROHRMYRQP-UHFFFAOYSA-N 447.604 5.761 30 20 IKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 609064656 CBVXCHNYDNZBIP-UHFFFAOYSA-N 447.560 5.744 30 20 IKED N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 609096753 NNLCBVMOWRZFHJ-UKILVPOCSA-N 440.934 5.475 30 20 IKED N#Cc1cc(NC(=O)c2cccnc2Sc2ccc(Br)cc2)ccc1F 609103268 HUQXKASUUIMURB-UHFFFAOYSA-N 428.286 5.258 30 20 IKED CC1=NN(c2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc2)CC1 609105221 VTDYIBMMVMYGSJ-UHFFFAOYSA-N 428.467 5.115 30 20 IKED CCCOc1ccc(Oc2ncccc2CNC(=O)c2cc3ccccc3n2CC#N)cc1 609165832 XCLYADLWCDTNKX-UHFFFAOYSA-N 440.503 5.071 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCc1nc(C(C)(C)C)cs1 609207109 QVJKCRGZTQHJTJ-UHFFFAOYSA-N 434.565 5.777 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@H](c3ccccc3)c3ccco3)cc2F)c1 609208494 MMQDVPDKHZGUEM-RUZDIDTESA-N 441.462 5.780 30 20 IKED CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 609826638 NEAIOLGMUYSTKM-URXFXBBRSA-N 435.568 5.294 30 20 IKED Cc1cc(NC(=O)c2cccc(CSc3c(Cl)cccc3Cl)c2)n(CCC#N)n1 610173400 HHBOCHZZFQAIPA-UHFFFAOYSA-N 445.375 5.957 30 20 IKED N#CCn1c(C(=O)Nc2ccc(OC(F)(F)F)cc2Br)cc2ccccc21 611141214 FSXBLFZTQATQTR-UHFFFAOYSA-N 438.203 5.078 30 20 IKED O=C(c1cc(F)c(C(F)(F)F)c(F)c1)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 622498748 CUKMGIUZLYZQAO-OAHLLOKOSA-N 439.302 5.216 30 20 IKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cc(C3CC3)nc21 642282409 PAVMFZSSWPGEBN-OAHLLOKOSA-N 434.450 5.124 30 20 IKED O=C(NCCCc1cccc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674429459 TYHRMUUYQBWYGT-BETUJISGSA-N 436.318 5.020 30 20 IKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc3c(c2)CCO3)c1 726570853 MGLQILVLDNQCRZ-UHFFFAOYSA-O 448.955 5.066 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnc(Cc3ccc(F)cc3)s2)cc1 727234047 XQBSBGAWHNFSQD-FOIQADDNSA-N 435.524 5.348 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H](C)Oc2ccc(CCC(C)=O)cc2)c1 728181803 CXOHWGOGDHPSBV-HXUWFJFHSA-N 431.557 5.252 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccccc3SCc3ccccc3)CC2)cc1 729033878 VHSIUOFEFCPBSC-UHFFFAOYSA-N 443.572 5.926 30 20 IKED N#C[C@H](C(=O)NC1CCCCC1)C(=O)c1sc2cc(Br)ccc2c1Cl 729888944 KPTFNQLICNAFCS-ZDUSSCGKSA-N 439.762 5.089 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)[C@@H](C#N)c1nc2ccccc2s1)c1ccccc1 729890864 SPDFOEZTJOKTHH-MSOLQXFVSA-N 435.549 5.519 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cc(N3CCCC3=O)ccc2F)cc1 730172845 QTHUIRGDCNAGSH-UHFFFAOYSA-N 433.414 5.008 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1 730687790 WMRHWILEMDKTEA-INIZCTEOSA-N 435.455 5.168 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2)cc1 731972429 MPURAVXXMKMLGW-MUUNZHRXSA-N 443.506 6.453 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 732900514 QMVKUIDOZBHCKY-NRFANRHFSA-N 448.469 5.843 30 20 IKED COC(=O)Nc1cccc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 733624053 CUZQBGUPSYTGFV-UHFFFAOYSA-N 430.464 5.154 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)c1 733772073 ZCPQOTRVMPDYND-URXFXBBRSA-N 434.536 5.656 30 20 IKED N#C[C@H](C(=O)CCCOc1cccc(Cl)c1Cl)c1nc(-c2ccncc2)cs1 734082744 GLSBBPTXGMWFMH-CQSZACIVSA-N 432.332 5.547 30 20 IKED CCN(CC)Cc1csc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)n1 735039639 BFPHUPVKGHCDJA-UHFFFAOYSA-N 440.956 5.555 30 20 IKED Cc1occc1-c1nnc(SCc2cc(Cl)ccc2OCC#N)n1-c1ccccc1 735230241 HTSXQYXTFFOTJV-UHFFFAOYSA-N 436.924 5.684 30 20 IKED N#CC(CCOC(=O)c1cccc(Oc2cnccn2)c1)(c1ccccc1)c1ccccc1 736923475 DJHVNFIZRPPFNL-UHFFFAOYSA-N 435.483 5.326 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/C(=O)c3ccsc3S[C@H]2C)cs1 742436554 LQCTWPJUKBDLFU-DTQASYIRSA-N 447.006 6.303 30 20 IKED Cc1cc([C@](C)(O)CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(C)o1 743117752 YCUGNYNTUPCDDF-HSZRJFAPSA-N 439.899 5.243 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cccc(Cl)c2SC(C)C)ccc1OC 743183980 HCFHHPDQFIRDPP-INIZCTEOSA-N 447.988 5.852 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)C[C@@H](Cc3ccccc3)c3ccccc3)n2)cc1 744063202 ZCOLRVAJKSYHBB-JWQCQUIFSA-N 447.563 6.275 30 20 IKED N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 745950017 ZTZZNCVOBQTMRG-MRXNPFEDSA-N 426.259 5.142 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@@H]3C[C@H](O)c3ccc(F)cc3)c2)c1 746251640 FFJSWSWGCDEANK-RSXGOPAZSA-N 444.506 5.005 30 20 IKED O=C1C[C@@H](C(=O)O[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c2ccc(F)cc2N1 746436576 HTOVORVSWCESFM-CJNGLKHVSA-N 435.295 5.117 30 20 IKED Cc1csc(SCc2ccc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc2)n1 752033750 CKKMMDIHUNDCPC-FGZHOGPDSA-N 433.602 5.656 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H](O)c1c(F)cccc1Cl 752636966 NTLSUUFQPKSNSB-YWBKXGLFSA-N 437.902 5.378 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1scnc1Br 754086636 CXYFLLQMYGJAEB-UHFFFAOYSA-N 430.302 5.072 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](c3ccccc3)N3CCSCC3)n2)cc1 755612142 MIBMLMHLFFIGTJ-UNMCSNQZSA-N 433.602 5.085 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1 758600679 COLBYKZPPQJXRQ-XUZZJYLKSA-N 445.519 5.159 30 20 IKED N#CCCn1cc(C(=O)COC(=O)c2ccc(Cl)cc2Br)c2ccccc21 761284739 ZMBPBGBLHWNPDI-UHFFFAOYSA-N 445.700 5.011 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)Cn1nc(-c2ccccn2)n(-c2ccccc2)c1=S 764932257 HVFNMSUQJXCYTM-UHFFFAOYSA-N 440.576 5.205 30 20 IKED C[C@@H](OC(=O)C1CCC(C(F)(F)F)CC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 769439628 GPPGNFJCPPKEAJ-IYXRBSQSSA-N 442.503 5.128 30 20 IKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(N(C)C)cc1 775540134 JCCXOFHCMFOGAI-LJQANCHMSA-N 428.536 5.280 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1)c1nc2cc(F)ccc2s1 779206480 NWHVYBRXKZDOPW-DWIQEWEKSA-N 447.535 5.085 30 20 IKED C[C@@H](N[C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(-c2cccc(C#N)c2)cc1 782779417 YGZORHZNRVALFF-IAGOWNOFSA-N 440.515 5.633 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@@H](C)C[C@H]2c2cccc(OC)c2)c1=S 784013223 VJTSVXJSSOXYII-AVRDEDQJSA-N 435.597 5.101 30 20 IKED COc1cccc([C@H](C)CC(=O)[C@@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1 787050580 PZRRDTRZTQPSIO-PJIJBLCYSA-N 433.335 5.082 30 20 IKED C#CCn1ccc(CN(CC)C(=O)Nc2ccc(-c3nc4cccc(Cl)c4s3)cc2)n1 788644338 COXGAXJBRYXQAU-UHFFFAOYSA-N 449.967 5.500 30 20 IKED COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3)n2)c(C)c1OC 794737166 BRHZCZHSWKEVFS-YRNVUSSQSA-N 440.496 5.189 30 20 IKED Cc1csc([C@H](C#N)C(=O)CSc2nc3c(Cl)c(Cl)cc(Cl)c3o2)n1 799310534 ZDOXHALBWSRQJV-SSDOTTSWSA-N 432.741 5.522 30 20 IKED COc1cc(/C=C2/C[C@H](C(=O)O)c3ccccc3C2=O)ccc1OCc1ccc(F)cc1 806559949 HEIWGRCGELCFNX-VWOYCULZSA-N 432.447 5.252 30 20 IKED N#CCSc1ccccc1C(=O)N[C@H]1CCCc2c1[nH]c1ccc(Br)cc21 809198013 YUJBCIDAUDLKAL-SFHVURJKSA-N 440.366 5.353 30 20 IKED N#Cc1cc(NC(=O)c2cc(Cl)ncc2Br)ccc1Oc1ccccc1 811221234 GVGPEZBJQPZTRU-UHFFFAOYSA-N 428.673 5.414 30 20 IKED N#C[C@H](N/C=C1\C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)c2ccccc21)c1ccccc1 912753047 LLWDIBUPVPFJHW-GYZZIOIESA-N 447.416 5.088 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cc1 915085089 FYDQHGGOIOTUSF-FQEVSTJZSA-N 431.289 6.103 30 20 IKED N#C[C@H](C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1nc2ccccc2s1 915097824 AUJLMRHVHSQSBZ-NVXWUHKLSA-N 444.343 5.084 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)c1 916898091 ZCNQDPYWFVRRDT-IBGZPJMESA-N 444.878 5.055 30 20 IKED Cc1cc(Cl)ccc1OCC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916904452 DCOIMBYZBPRKPP-LJQANCHMSA-N 434.879 5.167 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(COc2ccc(Cl)cc2)cc1 916925934 QZTWTADYCBIOET-NRFANRHFSA-N 448.906 5.279 30 20 IKED Cc1ccc(-c2nc(CC(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cs2)cc1 916928652 QHUXQEGKTOSTOM-INIZCTEOSA-N 444.343 5.315 30 20 IKED Cc1cccc2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c(Cl)c12 916929763 ACURJUYMSLMAHQ-NSHDSACASA-N 437.735 6.131 30 20 IKED CC(C)(C)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] 916945587 XREGYPBXTDOVKC-OAHLLOKOSA-N 434.279 5.160 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3c(C)nn(Cc4ccccc4)c3Cl)n2)cc1 916973466 YKEBICCFCORQMX-LJQANCHMSA-N 446.963 5.815 30 20 IKED C[C@@H](NC(=O)c1ccccc1NC(=O)c1cccc(Br)c1)c1ccc(C#N)cc1 917094300 YUKRGMHXOSLWDM-OAHLLOKOSA-N 448.320 5.064 30 20 IKED N#CCOc1ccccc1C(=O)N(Cc1ccsc1)c1ccc(Br)cc1 920003746 NFYNXPHZJXTYRW-UHFFFAOYSA-N 427.323 5.260 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@@H]3CCCc4cc(OC)ccc43)n2)cc1 920144406 PSVLWGGWLBIUFS-PGRDOPGGSA-N 432.545 5.514 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)Cc3cnc4ccccn34)cc2)CCC1 1786107425 KDXCLJIKYYAEQI-UHFFFAOYSA-N 444.579 5.003 30 20 IKED Cc1nc2cc(C(=O)Nc3ccc(C4(NC(=O)C5(C#N)CCC5)CCC4)cc3)ccc2s1 1789048079 VRDJKYMIJOJMIM-UHFFFAOYSA-N 444.560 5.046 30 20 IKED CC(C)=CCCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1790453401 FTQNBWFOQXDZNB-HXUWFJFHSA-N 429.564 5.808 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ccc4scnc4c3)CCC2)cc1 1791298629 KPBKOROHIYEUSQ-UHFFFAOYSA-N 441.503 5.255 30 20 IKED Cc1c(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)S)cc3)CCC2)[nH]c2c(Cl)cccc12 1791574227 HWWUUHOMNGBRKI-CQSZACIVSA-N 441.984 5.196 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(OCC5CC5)cc4)cc3)CCC2)C1 1792155947 ZEJYZVAATCFMTI-UHFFFAOYSA-N 430.548 5.189 30 20 IKED CC1(C)CCC(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C#N)cc2Cl)CC1 1800691626 JTKYJPBNWXQNKO-ACDBMABISA-N 442.003 5.070 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2C(C)(C)C)n[nH]1 1817709868 HMECXHRIPFUIMX-GHTZIAJQSA-N 449.599 5.177 30 20 IKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 1823889904 LHKYWZHZNVFCSM-VWLOTQADSA-N 443.591 5.137 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C(C)=C/c2cccnc2)CC1 1829071733 YJXPAIUYIFGGBC-QZPFXSPMSA-N 437.628 5.097 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(F)c2)CC1 1830504762 YUSRLJSORLKACI-DEOSSOPVSA-N 426.576 5.136 30 20 IKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3C)CC2)C1 1832700232 QELYCAYRWSYLMH-JOCHJYFZSA-N 448.529 5.213 30 20 IKED C[C@@H](NC(=O)COC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(F)cc1 9073324 ZGBXZPSNZARINH-QGZVFWFLSA-N 448.519 5.024 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2C)nnc1-c1cccc(C)c1 16862916 IMHSQTFFLPTFSC-MRXNPFEDSA-N 426.973 5.521 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1C#N 25278328 CXSWZKMMMRBOHS-HNNXBMFYSA-N 434.590 5.182 30 20 IKED C=CCn1c(SCc2cn3cccc(C)c3n2)nnc1-c1ccc(Br)cc1 30635965 GHYMJSOAHMDHJQ-UHFFFAOYSA-N 440.370 5.142 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)Cn2nc(C)nc2-c2ccc(Cl)c(Cl)c2)c1 78447613 BDYAHOAPYWHCFR-UHFFFAOYSA-N 442.350 5.124 30 20 IKED N#CCCSc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 78668358 CMBPBUJJTZMIOP-FQEVSTJZSA-N 443.572 5.336 30 20 IKED COc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc2c1OCCO2 107649073 JOPJTRDRPOTDHZ-LJQANCHMSA-N 434.879 5.028 30 20 IKED C=CCn1c(SCc2ncc(-c3cccc(Cl)c3)o2)nnc1-c1ccccc1F 216283924 LDEQWGVEPRZUCX-UHFFFAOYSA-N 426.904 5.871 30 20 IKED CC(C)c1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 301217725 GFTGCDKZAMFTBW-UHFFFAOYSA-N 429.545 5.665 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)[C@@H](C#N)c3nc4c(C)ccnc4[nH]3)cc12 429581918 XQNXZVHBTWBROV-MRXNPFEDSA-N 446.923 5.119 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC2(CCN(Cc3ccccc3)CC2)C1 433147994 PUHUJYNAKDPSNB-NRFANRHFSA-N 448.636 5.601 30 20 IKED C[C@H](NC(=O)C(=O)Nc1nc(CC(C)(C)C)cs1)c1ccc(-c2cccc(C#N)c2)cc1 435116852 QQVBNELRQJIIEA-INIZCTEOSA-N 446.576 5.086 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)c1cc(C#N)oc1C 436184264 LCFZYEGAUZQVTP-SNVBAGLBSA-N 430.327 5.145 30 20 IKED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Nc2cccc(CSC(C)C)c2C)cc1 437754173 VLBNLIFWZLEINI-UHFFFAOYSA-N 447.626 5.087 30 20 IKED N#Cc1ccc(NC(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)cc1C(F)(F)F 438650300 XTYQFTWPKASQRQ-UHFFFAOYSA-N 430.361 5.225 30 20 IKED C[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C1 441759032 JCDAORNVZAEHCY-RHSMWYFYSA-N 445.441 5.003 30 20 IKED COc1ccc(CN(C(=O)NCC2CCC(C#N)CC2)[C@H]2CCCC[C@@H]2C)cc1OC 442729884 OSVDBHKAZBUCSI-OBMFMMATSA-N 427.589 5.124 30 20 IKED O=C(CN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)Nc1cc(F)ccc1F 444737459 QICXNPOOAUKPTK-OAHLLOKOSA-N 426.307 5.205 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2sc(-c3ccc(C)o3)nc2C)c1C#N 445569100 QLUZRADNYAZABY-UHFFFAOYSA-N 435.534 5.052 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 447364817 DUSDKKOGWDGRPX-QWHCGFSZSA-N 436.364 5.061 30 20 IKED COCCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)[C@H]1CCCSC1 448018085 NSBFQDPCVZBDOG-IBGZPJMESA-N 425.554 5.035 30 20 IKED FC(F)(F)CCN(Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)CC(F)(F)F 448370922 BKKJIRVJCWRIPD-UHFFFAOYSA-N 433.318 5.267 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC(CCCO)CC1 460795485 QEYOGRUUAATHEA-UHFFFAOYSA-N 446.595 5.089 30 20 IKED CC(C)(C)OC(=O)c1ccc(CNCc2cccc(OCc3cccc(C#N)c3)c2)cc1 462735233 HIHDPSWHGHQEOE-UHFFFAOYSA-N 428.532 5.382 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cnc(C(F)(F)F)cc2C)cc1C 464657984 UTNXIDBNLFOCPV-UHFFFAOYSA-N 427.430 5.055 30 20 IKED C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CSc1cccc(C#N)c1 468643762 SUVDKTCPMWYIBD-GOSISDBHSA-N 429.545 5.122 30 20 IKED C=CC[C@H]1N(C(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)CCCC1(C)C 470309627 SOTCTXYOZHCZLN-HSZRJFAPSA-N 425.594 5.176 30 20 IKED Cc1cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c(Br)s1 471230073 KZNVISNRGXJTSA-UHFFFAOYSA-N 428.311 5.439 30 20 IKED Cc1ccc([C@@H](NCc2nnc(-c3ccc(C#N)cc3)o2)c2ccc(F)cc2Cl)cc1 471680631 VETRQHLXGMJQMF-HSZRJFAPSA-N 432.886 5.588 30 20 IKED O=C(Nc1ccc(C(F)(F)F)nn1)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 471951677 FQZSUBRMTRSAGA-JTQLQIEISA-N 446.273 5.329 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)c1ccccc1C(F)(F)F 473794291 BVDSYELSYNYQJY-OAHLLOKOSA-N 447.482 5.425 30 20 IKED C[C@H](NC(=O)N[C@H](C)c1ccc(Br)cn1)c1ccc(-c2cccc(C#N)c2)cc1 474661258 NPJPFVDAVMDEKI-JKSUJKDBSA-N 449.352 5.504 30 20 IKED N#CC1(c2ccc(C(=O)N[C@@H](Cc3ccccn3)c3ccc(Br)cc3)cc2)CC1 474962919 VQBRMLFSUOQZFO-QFIPXVFZSA-N 446.348 5.113 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1 475551646 KZHQRZYIKBKYMH-UHFFFAOYSA-N 439.987 5.111 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](CC)c1ccccc1OCC(=O)N(C)C 475584993 ULRCFYLSMFAPBI-QFIPXVFZSA-N 437.584 5.278 30 20 IKED C=C(C)[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(F)c(F)c1 477660463 CBBTXDGNMANVIQ-QHCPKHFHSA-N 447.441 5.001 30 20 IKED COC(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(F)c1 478095481 IKTBUIJHGSBMQY-CQSZACIVSA-N 449.290 5.533 30 20 IKED COc1ccc(CN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@H](C)C2CC2)cc1 479197888 ZEHHWWXEDAESQO-KPSOWUDTSA-N 447.579 5.267 30 20 IKED C=CCn1c(SCc2nnc(-c3c(Cl)cccc3Cl)o2)nnc1-c1ccccn1 481375796 QVBBMNJUWGDWQI-UHFFFAOYSA-N 445.335 5.175 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccccc3NCc3ccco3)s2)cc1 481968866 SNRFQWHHWFSYDP-UHFFFAOYSA-N 447.545 5.159 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1c(-c2c(Cl)cccc2OC)noc1C 483421846 OVMVNVQFCNCFCZ-UHFFFAOYSA-N 441.871 5.049 30 20 IKED Cc1ccccc1NC(=O)[C@@H]1CCc2ccccc2N1C(=O)C[C@H](CC#N)c1ccccc1 483459651 FTCJLBNYRPLNSJ-OZXSUGGESA-N 437.543 5.369 30 20 IKED N#CCCN(C(=O)CNc1ccccc1Oc1ncc(Cl)cc1Cl)c1ccccc1 487787091 SIWPLEYKDRMIBL-UHFFFAOYSA-N 441.318 5.539 30 20 IKED C=CCn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nnc1-c1cccs1 489434964 WVSHJZWIYPPCSB-UHFFFAOYSA-N 433.562 5.036 30 20 IKED C=CCn1c(S[C@H](C)c2nc(O)c3c(C)c(C)sc3n2)nnc1-c1ccc(C)cc1 489631463 HNTSWOBABGXBKL-OAHLLOKOSA-N 437.594 5.620 30 20 IKED CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1 490154369 FVYCACFLIWKBAU-UHFFFAOYSA-N 437.883 5.375 30 20 IKED O=C(COc1ccccc1C(F)(F)F)Nc1cccc(COCC(F)(F)C(F)F)c1 502124739 QBHLAKOYALWIRG-UHFFFAOYSA-N 439.327 5.140 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F 506644669 WAIJYAZVDGUXGF-GTNSWQLSSA-N 429.414 5.784 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@H]1C 508301522 AFHGMUJVMOEFET-BBWFWOEESA-N 439.943 5.021 30 20 IKED CC(C)c1ccccc1-n1c(SC[C@@H](C#N)CCC#N)nc2cc(Cl)ccc2c1=O 508469398 DYCVPJOHOZENHU-MRXNPFEDSA-N 436.968 5.698 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 508956375 PHQUEXCYXWQKLX-DQEYMECFSA-N 444.579 5.066 30 20 IKED COCCSc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 509228462 VKMZBYQGKHOFMP-GOSISDBHSA-N 447.560 5.972 30 20 IKED CCN(C(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12)[C@@H](C)c1ccc(C#N)cc1 509558593 JKGRCIYHBUMOQX-INIZCTEOSA-N 430.552 5.784 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cnn(-c3ccccc3)c2)cc1Cl 510023629 NVOZSNVUFULGPS-QHCPKHFHSA-N 441.922 5.503 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 510443882 PBEHZZTXDDUORN-HXUWFJFHSA-N 429.520 5.270 30 20 IKED Cc1nc2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cc2nc1C 514466012 ONZNMYCCZUUMGS-OAQYLSRUSA-N 426.907 5.808 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 517345702 NCXFQAVRKSQLMR-UHFFFAOYSA-N 446.473 5.172 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 518660016 DEJDRVRHXQNORZ-AEFFLSMTSA-N 441.984 5.083 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](COc1ccccc1F)c1ccccc1 518683167 KQDCHNDODXICQD-GCJKJVERSA-N 449.551 6.019 30 20 IKED Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1ccccc1SC[C@@H](C)C#N 519397516 IIDUKAVJEKDKFS-LBPRGKRZSA-N 439.400 5.119 30 20 IKED CCC[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 519438482 MKZSRFOWJLWAON-GOEBONIOSA-N 441.519 5.125 30 20 IKED CC(C)COc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 521326654 BHZZKENZOUVZNF-SFHVURJKSA-N 434.565 5.554 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Cc2cccc(OCc3cccc(C)c3)c2)cc1 521576986 USDBAUJIVBVKQC-UHFFFAOYSA-N 429.520 5.063 30 20 IKED COc1cc(F)cc2sc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)nc12 521888266 KKYRFGRUSDHUNR-UHFFFAOYSA-N 449.532 5.860 30 20 IKED COc1ccc(CN[C@@H](c2ccccc2)c2cccc3ccccc23)cc1OCCCC#N 522062930 KSCZLMXWSKHJBC-LJAQVGFWSA-N 436.555 6.410 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)nc2ccccc21 522694389 ICGPCVSTVICVAH-IBGZPJMESA-N 426.863 5.381 30 20 IKED CC(C)(CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1Cl 523035049 CFHCCTPPFXLQGH-UHFFFAOYSA-N 447.922 5.036 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)[nH]c12 524031658 MFQLDSKOMUDZKB-AWEZNQCLSA-N 434.908 5.329 30 20 IKED Cc1cc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)ccc1NC(=O)c1cccs1 534677195 NSQQVCJCJXDKEZ-QGZVFWFLSA-N 444.343 5.610 30 20 IKED COc1cccc([C@H]2CN(C(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)CCO2)c1 535637312 VGOKDNYURIADLK-XMMPIXPASA-N 448.906 5.226 30 20 IKED CC(=O)c1cc(F)c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)c1F 536142001 ZUAYKSDWNTUJPT-UHFFFAOYSA-N 429.238 5.596 30 20 IKED CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NC2CCC(C#N)(c3ccccc3)CC2)c1 539957572 WICAKILCGZNCHB-LQRWPSFBSA-N 439.625 5.111 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)cc1 540095400 GRLVSKGYMYULFJ-RSXGOPAZSA-N 443.522 5.187 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CSc2ccc(C#N)c(C(F)(F)F)c2)cc1 542004054 BIJTWBUNZRTBHR-UHFFFAOYSA-N 433.455 5.015 30 20 IKED CCC(C)(C)OCc1cccc(NC(=O)Nc2cc(C#N)ccc2OCCOC)c1C 542399389 NXQXZFPHVKDXMO-UHFFFAOYSA-N 425.529 5.241 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)CC1 549112082 FJFBRHIQLCSZRN-AFMYVXGZSA-N 435.490 5.012 30 20 IKED C[C@@H](NCCc1cccc(C(F)(F)F)n1)c1ccc(OC(F)F)cc1OC(F)F 551240259 HHCRCHBUTDUOFZ-SNVBAGLBSA-N 426.332 5.197 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)CC1 554604194 HKUVRKVFUVTQFQ-NRFANRHFSA-N 436.968 5.153 30 20 IKED CN(C(=O)c1ncsc1C(F)(F)F)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 558805288 ZYNFQKRZPGWVPI-JTQLQIEISA-N 436.299 5.556 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3CCCC[C@H]3c3cccc(Cl)c3)CC2)c(F)c1 560695114 ZXBXWTNURVCXSE-QFIPXVFZSA-N 425.935 5.321 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c[nH]c2c(C)cc(F)cc2c1=O 561083525 CYOJMXDWULAKJA-UHFFFAOYSA-N 427.435 5.200 30 20 IKED Cc1cc(F)cc2c(=O)c(C(=O)N[C@H](c3ccccc3C(F)(F)F)C(F)(F)F)c[nH]c12 561245056 XDUWFRJLPUYVKC-QGZVFWFLSA-N 446.322 5.028 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(CN4C[C@@H](C)O[C@H](C)C4)cc3)n2)cc1 578685070 MACYXPHZQSPFFX-DNVFCKCGSA-N 445.588 5.218 30 20 IKED N#CCCCn1cc(-c2nc(Cc3coc(-c4ccc(F)cc4)n3)no2)c2ccccc21 584018869 BGYJCQXGUCQSSN-UHFFFAOYSA-N 427.439 5.380 30 20 IKED Cc1cc(OCc2ccccc2)ccc1NC(=O)N1CCC(C#N)(c2ccccn2)CC1 584160073 LPKFQJZIQDYIPO-UHFFFAOYSA-N 426.520 5.058 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCc2nc3cc(Cl)ccc3s2)cc1 593042391 VJGFZSOJAYJIFJ-UHFFFAOYSA-N 439.968 5.335 30 20 IKED Cc1ccc2nc(COc3cccc(C(=O)N(Cc4ccc(C#N)cc4)C(C)C)c3)cn2c1 603527170 DMVVPAASOJULOK-UHFFFAOYSA-N 438.531 5.144 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 603726458 KRIQALRVPJLFNH-UHFFFAOYSA-N 442.544 5.291 30 20 IKED CC(C)Oc1ncccc1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603817778 XDBBRAOUQSKOEI-OAQYLSRUSA-N 434.927 5.499 30 20 IKED N#C[C@H](C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)cs1 603836535 ATZIWYNVLWNALN-MRXNPFEDSA-N 449.879 5.047 30 20 IKED CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 605018450 LKOPWHVRRDOMIS-CQSZACIVSA-N 444.391 5.146 30 20 IKED Cc1oc(-c2ccsc2)nc1CSc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N 608845436 ARRPGSHTCYOIOV-UHFFFAOYSA-N 447.545 5.105 30 20 IKED Cc1cc(N2CCSCC2)ccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 609298682 JNFDUJVALGMOLD-UHFFFAOYSA-N 447.535 5.604 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1ncc(-c2ccc(Cl)cc2)o1 609370602 HPECESXDBSYXOY-AWEZNQCLSA-N 443.981 5.978 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1C 609424481 PNWFJKMNLHDYCA-UHFFFAOYSA-N 434.590 6.003 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](CC1CCCCC1)c1ccccc1 609439813 YZHJIGLFTWWEIV-XXBNENTESA-N 449.620 5.847 30 20 IKED N#C[C@@H](NC(=O)c1sc2cccc(Cl)c2c1Cl)c1cccc(C(F)(F)F)c1 609460635 JAAZGLWAHUKSEL-GFCCVEGCSA-N 429.250 6.222 30 20 IKED N#CCCN(C(=O)CN1CCC(c2c[nH]c3cc(F)ccc23)CC1)c1cccc(Cl)c1 609552072 HYKSOGWOEZESDB-UHFFFAOYSA-N 438.934 5.087 30 20 IKED Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 609661450 MSFMXMCXPAHDEY-UHFFFAOYSA-N 444.944 5.199 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)CN(Cc3cccnc3)c3ccccc3)c2)cc1 609820740 AQPBBDXERMWSAZ-UHFFFAOYSA-N 434.499 5.391 30 20 IKED CSc1cccc([C@@H](NC(=O)N[C@H](C)c2cccc(C#N)c2)c2cc(F)ccc2F)c1 610357489 NTBUOJXHVUUNGA-IQMFZBJNSA-N 437.515 5.708 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(Sc2ccc(Cl)cc2)cc1)c1cccc(C#N)c1 610386662 HNGAFPZKVRZDRH-OAHLLOKOSA-N 435.936 5.179 30 20 IKED N#Cc1cc(Cl)c(C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)c(Cl)c1 611093385 MIAWEPRWMLDBOA-KRWDZBQOSA-N 440.733 5.224 30 20 IKED Cc1ccc(CNC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(N2CCCC2)n1 611809839 DHOOPBYOSCYCEC-HXUWFJFHSA-N 439.563 5.089 30 20 IKED N#CCCCOc1cccc(NC(=O)C(=O)Nc2cccc(Sc3ccccc3)c2)c1 615093782 FRVWPFWIXIHBHW-UHFFFAOYSA-N 431.517 5.098 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCC[C@@H](c2nc3ccccc3o2)C1 642480474 XFQXLKLMSPGYLI-LJQANCHMSA-N 427.529 5.701 30 20 IKED C=C(C)[C@H](NC(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1)c1ccc(F)c(F)c1 681536047 NBQAXGGJKMCDIW-NRFANRHFSA-N 438.478 5.221 30 20 IKED COc1ccc(C(=O)/C=C/c2c(C)nn(-c3cc(C)ccc3C)c2Cl)cc1NC(C)=O 726427943 BNEKQGZQKXNJAZ-MDZDMXLPSA-N 437.927 5.314 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C\c3ccccc3Br)SC2=S)cc1Cl 726626533 HZVHJNPQBPNFBL-VIZOYTHASA-N 435.755 5.380 30 20 IKED N#C[C@@H](C(=O)[C@H](OC1CCCC1)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 727039415 XFNNFGAHNIVOMV-NZQKXSOJSA-N 436.964 6.340 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3cccc(OC4CCCC4)c3)n2)cc1 727955684 NCFJWMHEYCKDMY-QHCPKHFHSA-N 446.572 5.949 30 20 IKED N#CCCCOc1cccc(/C=C(\c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)c1 728158407 ZLIYXURKENXICO-HKOYGPOVSA-N 443.528 5.217 30 20 IKED C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 730422605 ZNEXWLPUESIFRA-CABZTGNLSA-N 425.337 6.099 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC([C@@H](O)c4ccc(F)cc4)CC3)c2)cc1 731107310 BYSRIECQZJCVNH-VWLOTQADSA-N 445.494 5.467 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 731114311 NKTUYIVDWKQNFB-KSFYIVLOSA-N 427.545 5.055 30 20 IKED C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)/C=C\c1cccc(Br)c1 731340778 RGYNJKIQTJYXMI-GAJOTYCWSA-N 437.384 5.256 30 20 IKED Cc1ccc(NC(=O)[C@H](OC(=O)Cc2ccc(OCC#N)cc2)c2ccccc2)cc1Cl 732366295 XNIAVBHUPSYBGJ-XMMPIXPASA-N 448.906 5.017 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cccc(C#Cc3cccs3)c2)ccc1OC 733618524 CZBPATYTQMHNHI-OAQYLSRUSA-N 445.544 5.159 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(CCc2ccccc2)Cc2ccccc2)c1 733851669 GQNXXSHMDXNVKO-RUZDIDTESA-N 427.548 5.322 30 20 IKED C#Cc1cccc(NC(=S)N(C)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1 734099456 SLZCZLMPZDQPJG-UHFFFAOYSA-N 427.451 5.707 30 20 IKED C=CC[C@H](NC(=O)Cc1csc(-c2cc(Br)cs2)n1)c1ccncc1 734360282 HROOZPVXMNWGEC-HNNXBMFYSA-N 434.384 5.005 30 20 IKED CCc1cccc(CC)c1NC(=O)COC(=O)c1cccc(COc2cccc(C#N)c2)c1 734593859 ZDRKXIBLNFUEEQ-UHFFFAOYSA-N 442.515 5.058 30 20 IKED N#CCOc1ccc(Cl)cc1CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 735230279 JCTPLDZKNOQXMV-UHFFFAOYSA-N 435.940 5.609 30 20 IKED CC(=O)N(c1nc(/C=C2/COc3ccc(C)c(C)c3C2=O)cs1)c1ccc(F)cc1F 737445089 VVPFYBYWQSPTOW-NVNXTCNLSA-N 440.471 5.381 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(F)c(Br)c2)cc1 743253673 RSAUDXSSLYITRC-SFHVURJKSA-N 445.313 5.044 30 20 IKED Cc1ccc(OC[C@@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 743299136 LVXLMZKAXVBFTJ-HXUWFJFHSA-N 429.520 5.229 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C(\C)c3ccccc3C(F)(F)F)n2)cc1 744060971 DEHBLMDKQYHWMS-BJRSVTDJSA-N 442.462 6.117 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)Nc1cccc(C(F)(F)F)c1 745724202 MHKDFAAMARUBFF-UHFFFAOYSA-N 443.469 6.428 30 20 IKED O=C(Nc1cccnc1)/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1ccccc1 747127742 IXWFOFNUIQPCIY-JCMHNJIXSA-N 439.427 5.155 30 20 IKED COc1cc(NC(C)=O)ccc1C(C)=NNc1ncnc2scc(-c3ccc(F)cc3)c12 747754906 IFMGSDYDRGAUPW-UHFFFAOYSA-N 449.511 5.301 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(SC(F)F)c(OC)c2)ccc1OCC(F)(F)F 750910901 WGJRXODRCPUUPN-UTCJRWHESA-N 448.409 5.856 30 20 IKED O=C1/C(=C\c2cc(F)c(O)c(F)c2)CC2(CCOCC2)C/C1=C/c1cc(F)c(O)c(F)c1 751517629 MYTXALPLJQKJDP-KNBRTIFXSA-N 448.412 5.281 30 20 IKED CCCCC[C@@H](NC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)c1ccccc1 752393514 NJOMRIPNFWPKMV-HXUWFJFHSA-N 432.549 5.058 30 20 IKED C=CCNC(=S)/C(=C(/O)c1cc(F)c(C)cc1F)[n+]1ccc(Cc2ccccc2)cc1 753976286 QIHIFGQLQNTXPL-UHFFFAOYSA-O 437.535 5.138 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)c1ccc(NCc2cc(C#N)ccc2Br)cc1 754886759 KXLXHUNSCSKKHR-AWEZNQCLSA-N 430.346 5.519 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 755284283 GBXPZXPQLPTCOG-XZOQPEGZSA-N 448.567 5.057 30 20 IKED C[C@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(Br)ncc1F 762733872 JOMLSVHGCVRZIM-AXTSPUMRSA-N 437.197 5.543 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cc3c(s2)CCCC3)cs1 764431379 DTDVRIJOROAUTH-FLIBITNWSA-N 442.993 6.318 30 20 IKED COCc1cccc(/C=C2/CC(O)(C(F)(F)F)C/C(=C/c3cccc(COC)c3)C2=O)c1 764432898 OQBNIYOGZSITSV-IINORCHSSA-N 446.465 5.103 30 20 IKED CN1CC[C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)[C@@H]1c1ccc(F)c(F)c1 764514551 VGUXTWFNBPHJOJ-TUSQITKMSA-N 446.501 5.187 30 20 IKED C=CCn1c(-c2cccs2)nn(CN2CCC[C@H]2c2nc3ccccc3s2)c1=S 764847076 BASYOGJKYBLESL-INIZCTEOSA-N 439.635 5.733 30 20 IKED CCN(C(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C)c1ccc(C#N)cc1 765037020 IQUUHESQICFKQD-OALUTQOASA-N 427.589 5.141 30 20 IKED C[C@@](O)(CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1Cl 765145992 ILEBMNMASMYXAK-RUZDIDTESA-N 449.938 5.014 30 20 IKED N#Cc1ccc(C2=CCN(Cn3nc(-c4ccccc4F)n(C4CC4)c3=S)CC2)cc1 767986043 BMOJJUBWLMQXSY-UHFFFAOYSA-N 431.540 5.174 30 20 IKED C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@@H](O)c1c(F)cccc1Cl 770369841 GYMCOISXWSDSTG-JLCFBVMHSA-N 440.927 5.354 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H]2CCCOc3c2ccc(Cl)c3Cl)ccc1OC 772983961 BAAQWOKNZXMFRZ-YJBOKZPZSA-N 435.351 5.686 30 20 IKED CC(C)[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1ccc(C(F)(F)F)cc1 775537673 CEDRVRXNFLPAAJ-PGRDOPGGSA-N 438.453 5.229 30 20 IKED CC(C)[C@H]1CN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CCN1C(=O)OC(C)(C)C 782038659 HJJLSOTVWUCZQE-IEBWSBKVSA-N 446.617 5.190 30 20 IKED CCOc1cccc2[nH]cc(CC(=O)[C@H](C#N)c3nc(-c4ccc(OC)cc4)cs3)c12 783072778 VDTMHTRUDOXKOO-SFHVURJKSA-N 431.517 5.118 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)NCc2cccc(Cl)c2)c(C)n1[C@@H](C)c1ccccc1 786541983 XUDQLFNLLKDQGV-GAJHUEQPSA-N 433.939 5.007 30 20 IKED CC[C@H](NC(=O)[C@@H](C#N)C(=O)c1sc2nc(C(F)(F)F)ccc2c1C)c1ccccc1 787039507 GVRDXTMKJGGDRK-HOTGVXAUSA-N 445.466 5.214 30 20 IKED C#C[C@@H](OC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)c1ccc(Cl)cc1F 788153629 NVYCYXNQRMDCSH-GOSISDBHSA-N 445.899 5.080 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccccc1)C[C@H](O)c1cccs1 789450085 CLONDGXDLKZGKE-QHCPKHFHSA-N 434.605 6.368 30 20 IKED COc1ccc(-c2ccc(NC(=S)Nc3ccc(C#N)c(Cl)c3)nc2)cc1Cl 794998794 LSQIKWSFLICDHY-UHFFFAOYSA-N 429.332 5.745 30 20 IKED CC(=O)N(c1ccccc1)c1nc(COC(=O)c2sc3ccc(C#N)cc3c2C)cs1 796624686 SPJMSGXOBHSYOR-UHFFFAOYSA-N 447.541 5.580 30 20 IKED C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(c2cc3ccccc3[nH]2)CC1 800778637 AZKRJKQVNRGRGP-DEOSSOPVSA-N 425.536 5.006 30 20 IKED CC(C)C(=O)c1ccc([C@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 802040949 VFLPWPRIEALXDB-IFXJQAMLSA-N 444.503 5.291 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@](C)(c3ccccc3)CC2)ccc1OC 806806997 SPEUWXYOEVPYMN-ATIYNZHBSA-N 435.568 5.030 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCC(=O)Nc2ccc(Cl)cc2)cc1 916708127 KJUYQGCOCSWSII-HSZRJFAPSA-N 446.938 5.536 30 20 IKED C[C@H](Oc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cn1)c1ccccc1 916918202 KCXTVKWXODQFCH-FDDCHVKYSA-N 435.483 5.336 30 20 IKED CCn1c(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)nc2ccccc21 919900269 IJFLRNNDRSFBLY-UHFFFAOYSA-N 425.492 5.350 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C[C@H]4CCCCO4)cc3)CCC2)c1 1786648767 AZLMMDLLZPDIML-YADARESESA-N 445.563 5.021 30 20 IKED Cc1cccc(Cl)c1C(=O)NC1(c2ccc(NC(=O)C/N=C/c3ccco3)cc2)CCC1 1789576834 JJUJKONQLOVGGU-JFLMPSFJSA-N 449.938 5.108 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)CCSCc3ccc(C)cc3)CCC2)cc1 1792266857 FFEZPHSKIBBXKH-UHFFFAOYSA-N 434.605 5.166 30 20 IKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc4c2oc2ccccc24)C3)c1 1799603073 NMCRGAWBWYRHNK-WKCHPHFGSA-N 449.510 5.023 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cccc4cccnc34)CC2)C1 1804858613 KREDZWXWQRQLLF-UHFFFAOYSA-N 433.596 5.072 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)s2)[C@@H]1c1cccnc1 1805519729 KDPIWLODWZURPL-XLIONFOSSA-N 446.016 5.109 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2Cl)n[nH]1 1820423349 WBEPOLGSZVDHIP-FQEVSTJZSA-N 426.948 5.137 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1 1831474281 BDSCTXAAASPRMI-ONTLXTELSA-N 428.661 5.425 30 20 IKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 1831851632 OJCWEBFGAJQLJC-HXUWFJFHSA-N 435.395 5.030 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3occc3n2-c2ccccc2)CC1 1831858137 GJRPGWWWXQDABI-JOCHJYFZSA-N 445.563 5.033 30 20 IKED Cc1cc(C)c(N/C(S)=C(\C(=O)c2cc(C)ccc2C)[n+]2cccc(O)c2)c(Cl)c1 10178800 NUGBQEBWPSUSIE-UHFFFAOYSA-O 439.988 5.618 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(\S)Nc2cccc(Cl)c2C)c1 11258535 NKDFIXXIDUGOOG-UHFFFAOYSA-O 438.016 6.419 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc3ccccc23)nnc1-c1ccc(OC)cc1 23554295 QEHMPPBRWLNTEG-KRWDZBQOSA-N 444.560 5.412 30 20 IKED Cc1ccc(-c2csc(/N=C(\O)c3ccc(=O)n(Cc4ccccc4Cl)c3)n2)cc1 29144606 XCDHAFQQVRQMKH-UHFFFAOYSA-N 435.936 5.618 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 58499381 QCHFTVOBFKKHHS-UHFFFAOYSA-N 447.457 5.258 30 20 IKED CCOc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1OCC 59919135 PBOLKCCALFERHD-UHFFFAOYSA-N 430.504 5.381 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)Cc3csc(-c4ccccc4Cl)n3)c2C#N)C1 61047294 DXOFJIRDHPULDA-LBPRGKRZSA-N 427.982 5.703 30 20 IKED O/C(=N\c1nc(-c2ccc(Br)cc2)n[nH]1)c1cc(F)c(Cl)cc1Cl 63497292 SXQWPWQFZIDBIE-UHFFFAOYSA-N 430.064 5.316 30 20 IKED Cc1nc(SCC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c(C#N)c(C)c1C 117038664 BPKWXVMKBVJBSN-UHFFFAOYSA-N 442.544 5.060 30 20 IKED Cc1nn(C)c2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c12 195556907 SHWRKLUUJHNRLR-KRWDZBQOSA-N 447.951 5.421 30 20 IKED N#C[C@H](NC(=O)CCC(=O)c1ccc(Cl)cc1)c1ccc(OCc2ccccc2)cc1 303243331 KXUPOFGARRHUIP-QHCPKHFHSA-N 432.907 5.263 30 20 IKED N#CCCCOc1cccc(NC(=O)c2cc(Br)cc(Br)c2)c1 322686454 JOMJBZNCFJUDKV-UHFFFAOYSA-N 438.119 5.146 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCOC3(CCSCC3)C2)cc1F 434138927 TUJOGUGRVSBYJN-GOSISDBHSA-N 441.528 5.056 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1)c1ccccc1 435592477 HOEYUHVNUHYDGQ-HSZRJFAPSA-N 434.561 5.490 30 20 IKED C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 437993586 FKYKLZOKSBKKED-OSPHWJPCSA-N 447.485 6.030 30 20 IKED N#Cc1ccc(CNc2cccc(CS(=O)(=O)C3CCCCC3)c2)c(OC(F)F)c1 439549803 NAFKQQZWZIOQKQ-UHFFFAOYSA-N 434.508 5.019 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@H]2CC(=O)c2cccs2)cc1 443670031 RGLLOVCRWYCVKT-NRFANRHFSA-N 430.529 5.076 30 20 IKED C=CC[C@@H]1N(C(=O)Nc2ccccc2CN(C)C(=O)c2cccs2)CCCC1(C)C 444897053 FLWSJGXILYWZJR-NRFANRHFSA-N 425.598 5.619 30 20 IKED C=C(C)Cn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CC=C(COC)CC1 460933329 KQKFDDUPROKMQX-UHFFFAOYSA-N 448.542 5.022 30 20 IKED N#C[C@@H](C(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)c1cc(C(F)(F)F)ccn1 464467519 KMWSCFCSINWMSK-HXUWFJFHSA-N 446.432 5.502 30 20 IKED CC(C)(CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Cl)cc1 470540508 WOWKUAGHYDYRRR-UHFFFAOYSA-N 438.959 5.022 30 20 IKED C[C@H](c1ccccc1)N(CC1CCC1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470546035 JQCNAFIWKFIBLO-HXUWFJFHSA-N 444.579 5.665 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 473682020 KWOOFOFXMCXMEZ-UHFFFAOYSA-N 427.533 5.230 30 20 IKED CC(C)(C#N)c1ccc(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)cc1 475103506 LKRLYRYNSYCSCO-UHFFFAOYSA-N 431.363 5.273 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@H](c2ccccc2)c2nccs2)n(C2CCCCC2)c1C 479862956 IVECRRWVBBPSNX-HSZRJFAPSA-N 447.608 5.256 30 20 IKED CCCN(C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1)[C@H](C)c1cc2ccccc2o1 481002429 CACFYQFHYBJGBI-DLBZAZTESA-N 439.537 5.124 30 20 IKED CC(C)n1ncc2c1C[C@H](NC(=O)c1cccc(Oc3cccc(Cl)c3C#N)c1)CC2 481150970 DANMYMGUYPQPSQ-GOSISDBHSA-N 434.927 5.069 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1nnc(-c2ccc(C)cc2)o1 481357421 HBLHMLJRVNNFOF-UHFFFAOYSA-N 433.537 5.002 30 20 IKED Cn1c([C@H](NCc2ccc(C#N)cc2Br)c2ccccc2)nc2ccccc21 481427898 ZOCZAALWTDHCQS-JOCHJYFZSA-N 431.337 5.087 30 20 IKED Cc1cc(-c2cc(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)c3c(C)noc3n2)c(C)o1 481825780 POOHOVHGKIJVGC-UHFFFAOYSA-N 426.476 5.085 30 20 IKED C[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(NC(=O)C2CC2)cc1 482434343 NXQKFFZQCOWISZ-KRWDZBQOSA-N 425.488 5.190 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(c1ccccc1)[C@@H](C)c1ccc(Cl)cc1 482818536 DGTASFDVJWMUIK-SFHVURJKSA-N 433.939 5.656 30 20 IKED Cc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(OC[C@@H]2CCCO2)c1 483352212 PMALVWHXIUBOSG-QHCPKHFHSA-N 428.488 5.469 30 20 IKED CCOCCOc1c(Cl)cccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 483672974 XHEIKDOOXMQLEO-UHFFFAOYSA-N 436.895 5.672 30 20 IKED CCC[C@H](NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C1CCCCC1 484460950 UAXHLWMIRCUXJJ-VWLOTQADSA-N 447.579 5.135 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3Cc4ccccc4S3)s2)c(C(F)(F)F)c1 487294186 SMDXOBCGLAGDKG-GOSISDBHSA-N 445.491 5.280 30 20 IKED Cc1noc2nc(C3CC3)cc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c12 488014843 OQPNDPRYALBVRW-UHFFFAOYSA-N 440.478 5.262 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1nc(-c2ccccc2F)cs1 488314509 ODWRHYPGBIHFRG-CQSZACIVSA-N 426.542 5.523 30 20 IKED C=C(C)Cn1c(S[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nnc1-c1ccncc1 489422923 GDRYMGFJFASUHF-SJORKVTESA-N 447.564 5.020 30 20 IKED C=C(C)Cn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccncc1 489433513 UPIIUASNBVOANI-CYBMUJFWSA-N 448.379 5.342 30 20 IKED O=C(Nc1ccccc1CC(F)(F)F)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 492163162 WMAWSNMVFLAOJK-CQSZACIVSA-N 442.306 5.818 30 20 IKED CC(C)N1CC[C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 498670533 YFPDVLYBEZTEOP-VXKWHMMOSA-N 426.511 5.111 30 20 IKED C=CCN(CC(F)(F)F)C(=O)c1oc2ccccc2c1CSc1nnc(C)s1 499462809 LWDVEQMFZTUCCM-UHFFFAOYSA-N 427.473 5.076 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1nc2cc(Cl)ccc2s1 499572598 HRCLDLGLOKQUNN-GFCCVEGCSA-N 448.813 5.509 30 20 IKED N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCO[C@@H](c2cccc(Br)c2)C1 500558626 URKWSSOXCPHFST-QGZVFWFLSA-N 446.707 5.239 30 20 IKED C[C@H](NC(=O)c1ccc(-c2noc(C(F)F)n2)cc1)c1ccc(-c2cccc(C#N)c2)cc1 504226277 NEYRDCDSTXWZOL-HNNXBMFYSA-N 444.441 5.704 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(c3ccccn3)CC2)cc1Cl 504287955 AMGVDYLMHCNEPG-QFIPXVFZSA-N 445.954 5.181 30 20 IKED N#C[C@@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1c(Cl)cccc1Cl 505505215 FEDOETREEICOES-CYBMUJFWSA-N 441.196 5.057 30 20 IKED Cn1c(C(F)F)nc2cc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)ccc21 507795917 OVXITBZEYISISC-UHFFFAOYSA-N 446.457 5.408 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 510537504 IIGIZKIRGBYLGL-UHFFFAOYSA-N 437.503 5.475 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1 510675071 NXRBTVKVXSAMSZ-UHFFFAOYSA-N 436.515 6.243 30 20 IKED O=C(NCC#Cc1cccc(F)c1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 512165044 KDAYMBIZEYCPKC-UHFFFAOYSA-N 427.932 5.030 30 20 IKED COc1cc(F)c([C@H](C)NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC 512535292 ZHVMWRVINRWGCL-HNNXBMFYSA-N 435.455 5.390 30 20 IKED N#Cc1c(NC(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)sc2c1CCCCC2 518170158 QFIZTHYQLBXUBJ-AWEZNQCLSA-N 448.514 5.158 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CC2)c1 520705937 IYMDHOWNSBEBOW-UHFFFAOYSA-N 441.462 5.045 30 20 IKED Cc1nc(-c2cccc(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)c2)no1 522640611 QZZSVIKCPTZNCG-UHFFFAOYSA-N 430.851 5.615 30 20 IKED C=CCN(Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 524069360 ZENJSSBBQMFPPH-DEOSSOPVSA-N 430.548 5.385 30 20 IKED CC(C)[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nc(C2CC2)no1 524367350 XNNQTABITGDCQI-CTNGQTDRSA-N 449.942 5.775 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 525658922 XCLLGSINTZVZMN-UHFFFAOYSA-N 432.282 5.543 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC1(c2ccc(F)cc2F)CCOCC1 534087389 HREZSRPPTWTFCP-HNNXBMFYSA-N 431.508 5.044 30 20 IKED N#Cc1cccc(COc2cccc(NCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)c2)c1 534794185 NUCFFGOTYJFZHW-UHFFFAOYSA-N 426.432 5.313 30 20 IKED CC(C)Cn1ncc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1C(F)F 535405205 FNYDAHDDOJOORV-UHFFFAOYSA-N 428.414 5.532 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)Cc1cn(CCC#N)nc1-c1ccccc1 536661112 ZKNXHXFNSKUONL-HXUWFJFHSA-N 441.604 6.089 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](Cc1ccccc1)c1cccs1 541592861 FGJANXORQIWYCF-RXVVDRJESA-N 435.618 5.512 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)c3cc(Cl)ccc3Br)n2)c(Cl)c1 543898802 UICUVPBTKZFYKR-UHFFFAOYSA-N 436.096 5.066 30 20 IKED C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)c2)C1 548803336 TVMWVGZJLCDRNL-NZQKXSOJSA-N 432.568 5.266 30 20 IKED Cc1c(C(=O)Nc2ccc(Sc3nncn3C)c(Cl)c2)sc2ccc(C#N)cc12 549963641 IOUMAUFAUKXQGW-UHFFFAOYSA-N 439.953 5.267 30 20 IKED Cc1c(C(=O)Nc2ccccc2NC(=O)Cc2cccs2)sc2ccc(C#N)cc12 550412807 QVGWQRDXNFKKCA-UHFFFAOYSA-N 431.542 5.576 30 20 IKED C=CCNC(=O)c1cccc(-c2noc(C(C)(C)c3csc(-c4cccs4)n3)n2)c1 558319426 BPODVEWANIUKHD-UHFFFAOYSA-N 436.562 5.163 30 20 IKED CC(C)c1c(NCC(=O)Nc2ccccc2SCC#N)cnn1-c1ccccc1Cl 564040338 QOIZNSVSNKMRFW-UHFFFAOYSA-N 439.972 5.315 30 20 IKED CC1(C(=O)N[C@H]2C[C@H](c3ccccc3F)C2)CCN(c2ccc(Cl)cc2C#N)CC1 570706148 CXLBRSMGQPDIBW-RUCARUNLSA-N 425.935 5.020 30 20 IKED CC1(C#N)CCN(c2nnc(Cc3ccc4ccccc4c3)n2CCc2ccccc2)CC1 571540320 SVKMVUKFNOMJNR-UHFFFAOYSA-N 435.575 5.395 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3ccccc3-c3c(F)cccc3F)CC2)c(F)c1 574226173 HKEBOKLDAMAAOL-UHFFFAOYSA-N 435.449 5.498 30 20 IKED COc1ccc(NC(=O)c2ccc(NCc3ccc(Br)cc3C#N)cc2)cc1 574673572 DWSHPSDRJUZATJ-UHFFFAOYSA-N 436.309 5.194 30 20 IKED C[C@@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1cccc(NC(=O)c2ccccc2)c1 575633015 WLNSXULGMJNPKI-LJQANCHMSA-N 434.499 6.171 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 600880651 RQPHCIYEYOACRN-QFIPXVFZSA-N 431.561 5.010 30 20 IKED CSc1cc(C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)ccc1NC(C)=O 603784119 KJBYNLWTTRWGDS-UHFFFAOYSA-N 447.535 5.533 30 20 IKED CC(C)CCO[C@H](C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 604456394 QQFGTCWGVKBGDC-CYBMUJFWSA-N 425.476 5.014 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 606575156 CYLSUBAXANBEHS-AEFFLSMTSA-N 425.529 5.204 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCCc4cc(OC(F)(F)F)ccc43)o2)cc1 609057761 NIYZQXDZFCDWIM-UHFFFAOYSA-N 442.393 5.222 30 20 IKED CC(C)CCN1Cc2cccc(NC(=O)c3occc3COc3cccc(C#N)c3)c2C1 609063832 QUEHGRUWVLTBRC-UHFFFAOYSA-N 429.520 5.344 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)c2)cc1 609208776 FOCLLHWEHVEWFD-UHFFFAOYSA-N 434.499 6.153 30 20 IKED N#CCCCCNC(=O)N(Cc1ccc(Oc2ccc(Br)cc2)cc1)C1CC1 609435782 BAQSYHZAFRSGCQ-UHFFFAOYSA-N 442.357 5.609 30 20 IKED CCOC(=O)Cc1cccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 610017142 IQCULVXPPASQSA-UHFFFAOYSA-N 429.476 5.409 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(OCc3cccnc3)cc2)cc1F 610313316 AWQDQQAJWNQCSU-UHFFFAOYSA-N 439.446 5.716 30 20 IKED CCOC(=O)CC[C@H]1CCCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1 611048476 UTEGRBRTUQKWEL-QGZVFWFLSA-N 440.927 5.199 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCn4c(cnc4C4CCCCC4)C3)cn2)cc1 611488087 MBZQBAMPROUCTO-HXUWFJFHSA-N 441.535 5.191 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)c1nc(-c2ccccc2)oc1-c1ccccc1 612209714 FBIORSFKMJYHLB-UHFFFAOYSA-N 439.471 5.158 30 20 IKED N#C[C@@H](C(=O)c1cccc(Br)c1)c1nc2cc(C(F)(F)F)ccc2s1 613402983 ACUTZIFIAZEOPQ-LBPRGKRZSA-N 425.229 5.568 30 20 IKED CC(C)[C@H]1c2ccccc2CCN1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 615858676 FYPQDRMYIPBVHZ-VWLOTQADSA-N 430.552 5.057 30 20 IKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1cccc(C#Cc2cccs2)c1 622917630 NZWNCYZQQIOJHY-DHLKQENFSA-N 430.573 5.780 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)c1nc2cc(F)ccc2s1 678572089 ASYZYHSUVCVQCL-GFCCVEGCSA-N 431.279 5.418 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)nc3c2cnn3[C@H](C)CC)cc1 726319941 QJOBCVYMRXVJDL-DYESRHJHSA-N 431.540 5.015 30 20 IKED N#C[C@H](C(=O)[C@@H](OC1CCCC1)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 727039330 WKOYOTFYFFBUIJ-UTKZUKDTSA-N 444.478 6.192 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Oc3ccc(NC(=O)c4ccccc4)cc3)o2)cc1 727984660 SJSZETOAIBOPFA-UHFFFAOYSA-N 438.439 5.202 30 20 IKED O=C(O)C(=O)/C(=C\c1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc2ccccc2n1 728156611 KKXCURUXCZPIBN-AQTBWJFISA-N 437.373 5.708 30 20 IKED C#Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nnc(-c3ccc(F)cc3)o2)c1 728249188 KJFCBHWIOKGING-UHFFFAOYSA-N 443.503 5.183 30 20 IKED N#CCOc1ccc(CSc2nnc(COc3ccccc3F)n2-c2ccccc2)cc1 729241043 DXXOAUSKGALWDI-UHFFFAOYSA-N 446.507 5.180 30 20 IKED C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 729319467 LVAFBCWFBHWEEZ-HTAPYJJXSA-N 447.922 5.249 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 730989263 JFNCLYFYXOJXLN-MRXNPFEDSA-N 425.554 5.215 30 20 IKED CCN(C(=O)COc1cccc(C#N)c1)[C@@H](c1cccnc1)c1csc2ccccc12 732570932 YQUJTEIECXOXOP-VWLOTQADSA-N 427.529 5.185 30 20 IKED CC(C)c1ccc2c(Cl)c(C(=O)OCC(=O)NCc3cccc(C#N)c3)sc2c1 732686090 ZSMMPFXLYVVEOC-UHFFFAOYSA-N 426.925 5.023 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cc(C(C)(C)C)ccc2OC)ccc1OC 733614380 BCLJQIHVVUEWNI-GOSISDBHSA-N 425.529 5.004 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cccc(C3SCCS3)c2)ccc1OC 733616683 FFLFYGJRANWZAZ-SFHVURJKSA-N 443.594 5.176 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2sc(-c3ccccc3)nc2C)c1 733801578 LWOYBTHLSCTYBD-YLJYHZDGSA-N 434.565 5.360 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCCCC[C@@H]2c2cccc(C)c2)ccc1OC 735579518 FNLSKXHBZIKAGJ-XZOQPEGZSA-N 435.568 5.512 30 20 IKED FC(F)(F)COc1ccccc1C=Nn1c(S)nnc1-c1cc(Cl)ccc1Cl 741755770 JNWBGYXHVKOQEE-UHFFFAOYSA-N 447.269 5.364 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)N[C@H]1CCc2ccccc2C1 742995805 XLMIXLMCSDYPRN-QHCPKHFHSA-N 427.573 5.290 30 20 IKED C[C@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCN1Cc1ccccc1 743093180 NYHDOPRLSKJPAG-CUNXSJBXSA-N 438.575 5.470 30 20 IKED COc1ccc(C[C@H]2CCCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)C2)cc1 743095497 KUVBQELJKYKQSK-AJTFRIOCSA-N 439.559 5.837 30 20 IKED COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)N[C@@H](C)c1cccc(C#N)c1 743779649 ZYFCRBDJDSWQHY-ZDUSSCGKSA-N 429.904 5.058 30 20 IKED CCOc1ccc(Oc2c(C=NN=C(C)c3cnccn3)c(C)nn2-c2ccccc2)cc1 745201031 DWZCRHWKSPEDGS-UHFFFAOYSA-N 440.507 5.005 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(-c3ccncc3)cc2)cs1 745989935 HCXWNPZAWYTQFV-FLIBITNWSA-N 443.503 5.925 30 20 IKED O=C(Nc1cccnc1)/C(=C\c1csc(-c2ccc(Cl)cc2)n1)C(=O)c1ccccc1 747127675 GIEGHZBBOHENID-BKUYFWCQSA-N 445.931 5.764 30 20 IKED CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 748840042 VLAMPOILVATMPB-WHEQGISXSA-N 449.523 5.206 30 20 IKED Cn1c(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1-c1ccc(F)cc1 749163242 GAWFMUOLAFGSHE-CHWSQXEVSA-N 436.371 5.471 30 20 IKED C/C(=C\C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(Cl)c1 750571610 BFZNAUQEQJZXFQ-VGVSSDJJSA-N 428.941 5.177 30 20 IKED CC(C)(C)OC(=O)NCc1cccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 752688543 YDHGDRDNGVXVEQ-FGZHOGPDSA-N 434.540 5.015 30 20 IKED N#Cc1ccc(C(=O)N(CCc2ccccc2)c2nc(-c3ccccc3)cs2)nc1Cl 752999225 HJDUTEOGIPFYBP-UHFFFAOYSA-N 444.947 5.620 30 20 IKED O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccncc1)c1cc(Br)ncc1F 762422981 NTVJWLCTHROTKA-VOTSOKGWSA-N 449.283 5.127 30 20 IKED N#Cc1cc(NC(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)c(Cl)c([N+](=O)[O-])c1 764301068 BSQAGSZTWVAMSI-UHFFFAOYSA-N 444.834 5.694 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC[C@H](c2c(F)cccc2F)C1 769489466 BULTUXREUQAZSD-QJPTWQEYSA-N 444.366 5.373 30 20 IKED N#Cc1ccc(NC(=O)C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)c(Cl)c1 769729819 JOPZNQNPXUETBC-UHFFFAOYSA-N 446.934 5.478 30 20 IKED CCN(Cc1ccccc1)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1 770118107 GTRRFANFVFRUHQ-HSZRJFAPSA-N 438.556 5.722 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2nc(-c3ccc(F)cc3)cs2)cc1 772161335 IAPPXOXBYBTWDW-QFIPXVFZSA-N 427.504 5.786 30 20 IKED C=C(C)[C@@H](NC(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1)c1ccc(F)c(F)c1 773473972 NRIBLKLPTSRAPO-YADHBBJMSA-N 434.914 5.391 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(Cc3ccc(O[C@@H](C)C#N)cc3)C2)n1 775205450 HXWVWTMICOKJBZ-AZUAARDMSA-N 433.577 5.489 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2cc(Cl)ccn2)cs1 777905164 CTDMILQAWRPZSI-UHFFFAOYSA-N 439.850 5.341 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccccc2)nc2ccccc12 780306217 SEGHQYDRKDYWKM-OAQYLSRUSA-N 435.483 5.262 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 787254433 XMGYVNNDVIRHPE-CYBMUJFWSA-N 445.306 5.296 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cc2sc(N3CCCC3)nc2s1 796634278 IKEYWRYPOITRLS-MRXNPFEDSA-N 446.557 5.072 30 20 IKED CC1(C)CC(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C1 797191532 BQPKTYQEQCYQTK-UHFFFAOYSA-N 442.240 5.407 30 20 IKED C[C@H]1CCCN(c2ccc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)cc2[N+](=O)[O-])C1 797571361 QVCIWABFAHUFHR-HOCLYGCPSA-N 426.542 5.075 30 20 IKED CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1F 799211023 GXCRGQVSNMGXLG-OAHLLOKOSA-N 440.327 5.113 30 20 IKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(CC(F)(F)F)C2=O)cc1 799214574 CVJQPRXBRWPEQM-GOSISDBHSA-N 449.498 5.134 30 20 IKED C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 802592279 CMGMTCZMUOYNKS-QFIPXVFZSA-N 443.016 5.110 30 20 IKED C#Cc1cccc(NC(=O)[C@@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)c1 817884454 LWIDNZXTCVSLDR-OAHLLOKOSA-N 445.569 5.306 30 20 IKED C=CCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 896583677 HZKCXOWQOYQCPC-UHFFFAOYSA-N 444.856 5.113 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1 915085214 ITYUAPLMHLSFTB-NRFANRHFSA-N 446.432 5.799 30 20 IKED COc1cc2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)[nH]c2c(OC)c1OC 915200033 SSFALKZUBPPCKI-HXUWFJFHSA-N 441.487 5.101 30 20 IKED Cc1sc2ncn(N=Cc3cnn(-c4ccc(Cl)cc4)c3)c(=O)c2c1-c1ccccc1 915945746 VAXCAZKOMBIRJJ-UHFFFAOYSA-N 445.935 5.155 30 20 IKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(C3CCCC3)C2=O)cc1 916215545 IGVBLXWPLDYDSZ-QFIPXVFZSA-N 449.576 5.101 30 20 IKED CC[C@@H](C)c1ccccc1OCC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916887910 OXXOOUUKCFXLPY-RDTXWAMCSA-N 432.492 5.241 30 20 IKED N#C[C@H](C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)c1nc2cc(Cl)ccc2s1 917043771 NBQUMKPDGNPCMX-WMHRWZGDSA-N 449.963 5.078 30 20 IKED N#Cc1ccccc1COC(=O)c1cccnc1Oc1ccc(F)cc1Br 917301846 QWFPKJJFGZZDJJ-UHFFFAOYSA-N 427.229 5.004 30 20 IKED COc1cc(C=Nn2c(S)nnc2-c2ccc(C)cc2)ccc1OCc1cccs1 917568689 KUJQHQPUKPCAMC-UHFFFAOYSA-N 436.562 5.074 30 20 IKED CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)cc(Cl)c1OC 917644764 KGZLTKGYEUKFDL-LICLKQGHSA-N 430.938 5.025 30 20 IKED Cc1cc(NC(=O)c2ccccc2OCC#N)n(-c2cc(C(F)(F)F)ccc2Cl)n1 919992819 IGDRNSMFIXEQRZ-UHFFFAOYSA-N 434.805 5.008 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)nc3)cc2)CCC1 1787428634 XJCARHDDNYEBRL-UHFFFAOYSA-N 443.469 5.042 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C(F)(F)c3ccco3)cc2)CCC1 1791079197 CXDNEQGJPRBQJU-LJQANCHMSA-N 428.479 5.274 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc4cccnc34)CCC2)cc1 1791727582 ZNRLBYHUDSBMDB-UHFFFAOYSA-N 425.532 5.176 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@]4(F)CCCC=C4F)cc3)CCC2)c1 1792380632 YLRDFMPUBAWWMP-RUZDIDTESA-N 435.474 5.052 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3occc3c2)n[nH]1 1818703350 WGXRTAGUXUUIBE-FQEVSTJZSA-N 434.540 5.454 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](c3ccccc3)[C@@H](C)CC)CC2)C1 1823700736 HROCHCRSIJBMKF-RMUDUWAUSA-N 436.640 5.402 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3ccoc3c2)CC1 1823752324 CLTODVQOLFXTND-QFIPXVFZSA-N 437.584 5.054 30 20 IKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(C)(C)C)oc2C)CC1 1825953017 XIAMKLHCQZTOJW-QHCPKHFHSA-N 440.628 5.312 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cnccc3c2)CC1 1828828579 MGNRMGCFVUDWHX-IZZNHLLZSA-N 445.607 5.237 30 20 IKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831060395 OIHICNKRXISBFO-QHCPKHFHSA-N 430.548 5.395 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc(C)cc(F)c2)CC1 1831954080 WHKBHMAZQYYKTE-DQEYMECFSA-N 440.603 5.065 30 20 IKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccccc2)cc1 10170742 FPNLMFVTSFOMQO-UHFFFAOYSA-O 429.609 5.811 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccccc1)=C(/S)Nc1ccc(Cl)cc1Cl 10836328 NEXFXEAQQSATCY-UHFFFAOYSA-O 430.380 5.894 30 20 IKED Cc1cccc(C)c1N/C(S)=C(\C(=O)c1cc(C)n(C)c1C)[n+]1ccc2c(c1)CCCC2 11153448 RLPRWWVJYWDNDU-UHFFFAOYSA-O 446.640 5.476 30 20 IKED C=CCN(C(=O)c1ccc(SC(F)F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 11219438 VZQNQCIQVZWFBB-UHFFFAOYSA-N 447.488 5.866 30 20 IKED CCN(CC)c1ccc(-c2nnc(SC[C@H](C#N)CCC#N)n2-c2ccccc2)cc1 15243183 XLGSWTNTLYGQKD-IBGZPJMESA-N 430.581 5.316 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)Cc1csc(COc2ccc(C)cc2)n1 18231009 DNFFMDHRFIQEBY-UHFFFAOYSA-N 442.924 5.102 30 20 IKED C=CCn1c(SCC(=O)N[C@H](CC)c2ccc(Cl)cc2)nnc1-c1ccc(F)cc1 24014566 DUBVDWSHIXPAQR-LJQANCHMSA-N 444.963 5.283 30 20 IKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 72025267 BOHXMPKGDLTRQT-SANMLTNESA-N 437.499 5.562 30 20 IKED CCOc1ccc([C@@H](CNC(=O)C2(C#N)CCCCC2)c2c[nH]c3ccccc23)cc1OC 72030017 CNZCUQFKWOMASX-OAQYLSRUSA-N 445.563 5.297 30 20 IKED N#CCCn1cc(C(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c2ccccc21 96966693 UBDWSNKPDSXYAO-XMMPIXPASA-N 431.586 5.508 30 20 IKED CC(C)N(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)Cc1ccc(C#N)cc1 109405384 REIDMHWQVOPFGW-OAQYLSRUSA-N 448.617 5.270 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(N2CCC(C)CC2)nc1 303172492 JKAAQMIGGYZJJN-UHFFFAOYSA-N 440.547 5.329 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 409811472 LLGNZYSLQIXMNH-UQBPGWFLSA-N 427.504 5.653 30 20 IKED Cc1nc2ccccc2n1C1CCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 432098791 OMJKDMIAPWUMBA-KRWDZBQOSA-N 433.581 5.466 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1 432581569 XUXUCTYOQFAAPD-UHFFFAOYSA-N 436.987 6.160 30 20 IKED COc1ccc(-c2nnc(SCCC(C#N)(c3ccccc3)c3ccccc3)o2)cc1 434644400 VGZUTTOVJAISME-UHFFFAOYSA-N 427.529 5.737 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)N[C@@H]1CCN(c2sccc2C#N)C1=O 434881217 TXMGXYZMGYOFNZ-SJKOYZFVSA-N 442.997 5.161 30 20 IKED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 436337162 WMXCZQKYNIBJMH-YJYMSZOUSA-N 439.409 5.135 30 20 IKED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1 437493213 SVESUZYZCWYIAB-DGBCPDELSA-N 448.588 5.333 30 20 IKED O=C(Nc1cccc(CC(F)(F)F)c1)Nc1ccc(OC(F)F)cc1OC(F)F 437794913 FRHVIXZNWIVHFD-UHFFFAOYSA-N 426.288 5.638 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 437846900 RTHLXUAEFVLGGI-CRICUBBOSA-N 429.495 6.413 30 20 IKED C[C@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)Oc1cccc(Br)c1 438051397 OTZFXZNSXZITSL-HUUCEWRRSA-N 448.386 5.432 30 20 IKED Cc1ccnc(Oc2cc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)ccc2C)c1 438671004 FHCHSRHAFZHEIQ-GOTSBHOMSA-N 426.520 5.794 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(COCC(F)(F)F)c1 442206557 GYRFKQZFYCVOBQ-HNNXBMFYSA-N 437.487 5.481 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1ccc(C(F)(F)F)cc1 442214328 MNAZKFSJUGCJQF-GUYCJALGSA-N 433.430 5.254 30 20 IKED C[C@@H](SCC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nc2ccccc2[nH]1 444003583 TYHNLZBFGCJHPA-OAHLLOKOSA-N 446.507 5.799 30 20 IKED Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)[C@@H](C)c1cccc(C#N)c1 463963132 GVBFNFOOTLVWRU-SFHVURJKSA-N 440.522 6.346 30 20 IKED COc1ccccc1O[C@H](C)CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 466312386 PPZUVKYKVGKSPN-UTKZUKDTSA-N 449.938 5.593 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H]2CCCO[C@@H]2c2ccc(C)cc2)cc1 466952489 GCKAZINWFAWHBQ-ILBGXUMGSA-N 447.579 5.099 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)ccc21 469971874 IYWOHGBKLSCHMA-UXHICEINSA-N 442.346 5.319 30 20 IKED CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 470604604 AFXCPPAWXTWGFR-FQEVSTJZSA-N 431.458 5.526 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@]4(CCCOC4)C3)cc2Cl)cc1 473627479 ASADFRPDAIGYDQ-QHCPKHFHSA-N 425.916 5.428 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 480252024 MBLMTHFXSAUAMF-QHCPKHFHSA-N 441.487 5.757 30 20 IKED C=C(C)[C@@H](N[C@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc(F)c(F)c1 480669480 XLTDRZVATVOHQX-WAIKUNEKSA-N 446.519 5.004 30 20 IKED Cc1cccc(OCCN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 481598347 QABVFLSTMFZZLT-UHFFFAOYSA-N 433.483 5.128 30 20 IKED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cnc(Nc4ccc(Cl)cc4)c(Cl)c3)nc12 482866043 ZMCCCXURUVSCFT-HNNXBMFYSA-N 437.290 5.202 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)c1cnc2ccccc2n1 483220536 PGZVPGJACKZLNA-MRXNPFEDSA-N 434.908 5.117 30 20 IKED C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1cccc(Cl)c1Br 491597206 SFJZXZAYUOJEEF-NSHDSACASA-N 445.791 5.155 30 20 IKED N#CCSc1cccc(C(=O)Nc2nc(-c3ccccc3)c(Br)s2)c1 492454518 AKTNPFZVSHABIN-UHFFFAOYSA-N 430.352 5.441 30 20 IKED N#C[C@H](NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1cccc(Br)c1 496246430 SSBRGRJFZVKHCH-SFHVURJKSA-N 442.700 5.284 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2ccccc2CN2CCc3ccccc32)c1 502603987 QNOROPQZWSITRM-UHFFFAOYSA-N 426.520 5.576 30 20 IKED COc1ccc([C@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C2CC2)cc1 503988835 GCWXPFLVLACGTG-AREMUKBSSA-N 441.531 5.613 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 504129122 SIHRXZJZHSGVHI-XUTJKUGGSA-N 434.506 5.517 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCc3c(Br)cccc3C2)cc1 506652886 LPDMTISWRFVXAL-UHFFFAOYSA-N 448.320 5.703 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1cccc(OC(C)(C)C)n1 506863055 BXZGRZQQMIWYRM-INIZCTEOSA-N 429.611 5.383 30 20 IKED C=CCn1c([C@H](C)CC)nnc1N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 508497321 KTSQBRRGYLSRLS-CQSZACIVSA-N 436.387 5.140 30 20 IKED CN(Cc1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 509666766 RSDUCSZIPKGKBZ-UHFFFAOYSA-N 430.451 5.065 30 20 IKED Cc1c(C#N)cccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 510534897 VRYYIZDSDWHNFD-UHFFFAOYSA-N 426.423 5.057 30 20 IKED N#CCSc1ccccc1NC(=O)CN1CC=C(c2ccc(Cl)c(Cl)c2)CC1 511218783 XJLGPSUQURKGFG-UHFFFAOYSA-N 432.376 5.337 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@@H]3c3ccc(Cl)cc3)c2)c1 511512460 KWYUXROBTAITPT-HSZRJFAPSA-N 444.922 5.833 30 20 IKED C=CCn1c(SCc2cccc(C(=O)N3CCCCC3)c2)nnc1-c1ccc(F)cc1 515430945 AJVDXTPMLWCIEI-UHFFFAOYSA-N 436.556 5.189 30 20 IKED CC(C)OCc1c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)oc2ccccc12 517843992 ITLKVSGKGVHYGZ-UHFFFAOYSA-N 426.472 6.274 30 20 IKED Cc1nc(NC(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)sc1SCC#N 517979007 JDOLOAKDTFGJSI-UHFFFAOYSA-N 443.981 5.481 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc4ccccc4c3C(F)(F)F)n2)cc1 519249008 SFHJROHNFOXMKH-INIZCTEOSA-N 437.446 6.176 30 20 IKED CCOc1ccc([C@H](NC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccccc2)cc1 520855448 NKXFVJFMBREOFI-UQBPGWFLSA-N 445.588 6.248 30 20 IKED CC(C)[C@@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)S(=O)(=O)C1CCCCC1 520917285 WHRBQFLHBMZGOI-QHCPKHFHSA-N 440.565 5.061 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Sc4nncs4)cc3)cc2)nc1 521060660 FHJMUKLAMIFAID-UHFFFAOYSA-N 431.502 5.001 30 20 IKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)N1CCc2sccc2C1 521733771 KBHHCJWJUVMVEB-ZDUSSCGKSA-N 439.528 5.158 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)NCc3ccccc3C(F)(F)F)s2)cc1 521839690 BFJCELGCJAUPPP-UHFFFAOYSA-N 449.483 5.043 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F 522540102 UFUPOIJJSGQRBO-QWHCGFSZSA-N 426.410 5.732 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(-c4cccc(F)c4)no3)cc2F)c1 524459657 OFKSXAOODLDFOF-UHFFFAOYSA-N 431.398 5.323 30 20 IKED CCN(Cc1cccc(Br)c1)C(=O)Nc1ccccc1SC[C@H](C)C#N 524565114 HYOXLQGTHHKLSW-OAHLLOKOSA-N 432.387 5.755 30 20 IKED Cc1c(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)cccc1C(=O)N1CCCC1 536915919 LXWQJVTWUDSBOY-UHFFFAOYSA-N 438.531 5.091 30 20 IKED N#CCCn1cc(CNc2cccc(C[S@](=O)C3CCCCC3)c2)c(-c2ccccc2)n1 538832012 LKOGNUXGPXRGRW-YTTGMZPUSA-N 446.620 5.657 30 20 IKED COc1cc(CN[C@H](c2ccccc2)[C@@H]2CCOC2)ccc1OCc1cccc(C#N)c1 540399757 ZWZBTPHORWWJDJ-SHQCIBLASA-N 428.532 5.013 30 20 IKED COc1cccc(C2=CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)C2)c1 542027486 ZPNWKKUJENHAEM-UHFFFAOYSA-N 443.478 5.216 30 20 IKED Cc1nc(CC(C)C)c(NC(=O)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1 543923524 SGYKPVJEGAVZGY-INIZCTEOSA-N 446.576 5.005 30 20 IKED CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)Nc1ccc(CC#N)cc1 549191409 REWRUHLSNLJCGT-UHFFFAOYSA-N 427.533 5.331 30 20 IKED C[C@H](Oc1ccccc1NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)C(F)(F)F 554763828 LQIPPJXWTHMICJ-VIFPVBQESA-N 438.290 5.365 30 20 IKED C[C@H](NC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1c(F)cncc1F 558180864 CYLPITKCAAONTA-LKFCYVNXSA-N 441.322 5.433 30 20 IKED C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Oc2cccnc2)cc1 566879820 SUPMZZQMEGZYHL-MSOLQXFVSA-N 432.549 6.008 30 20 IKED Cc1coc(-c2ccc(C)c(NC(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)c2)n1 571240523 OXOPYYLFORHIEH-UHFFFAOYSA-N 448.954 5.729 30 20 IKED COCC[C@@](C)(C#N)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(C)cc1)CC2 578512504 NZFOALZTLVQODO-IIUTWDHUSA-N 425.532 5.079 30 20 IKED N#Cc1cc(Oc2ccc(NCC(=O)N[C@H](c3ccccc3)c3cccs3)cc2)ccn1 579339374 UBYJLMGORWXBCA-RUZDIDTESA-N 440.528 5.125 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1F)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 590234223 MSUWVORXHBKEQX-UHFFFAOYSA-N 435.274 5.440 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1 592975701 KSOVPCJOYVZBHZ-FQEVSTJZSA-N 427.460 5.376 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cc(-c4ccccc4F)on3)c2)cc1 603921406 YDJJCQHGXIDXEY-UHFFFAOYSA-N 427.435 5.378 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1sc(-c2ccccc2)cc1C#N 603968552 AWWUVRCLNGCKFH-UHFFFAOYSA-N 449.532 6.022 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)cc1 604461828 DJULBGRCFADDSA-HSZRJFAPSA-N 441.487 5.491 30 20 IKED Cc1nnc(SCc2c(C(=O)N[C@H](C)c3ccc(C#N)cc3)oc3ccccc23)s1 604528665 ATLPMQLLSSRSRD-CYBMUJFWSA-N 434.546 5.248 30 20 IKED C=CCOc1ccc(C(=O)Nc2c(C)c(C)nn2-c2ccc(Br)cc2)cc1 605495848 ZKKKOBJRKJFQCJ-UHFFFAOYSA-N 426.314 5.069 30 20 IKED CC(C)N(CCC#N)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 608814000 QKMVZNLWRNQKRC-UHFFFAOYSA-N 441.510 5.050 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C1(c2ccc(Br)cc2)CCC1 609378105 WTLNPQNIRDKSPC-HNNXBMFYSA-N 429.383 5.761 30 20 IKED COCCSc1ccc([C@@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 609437025 LOFHACCPRHGRKL-DLBZAZTESA-N 429.611 5.702 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 609437110 PVSXMYSFODUESR-OALUTQOASA-N 446.576 5.938 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCO[C@H](c4ccc(F)c(F)c4)C3)cc2)cc1 609517806 SOXAUHNJZQGTBP-DEOSSOPVSA-N 434.442 5.037 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)cc1 610188982 FICGQNWXLPAAHV-KBMIEXCESA-N 425.532 5.080 30 20 IKED C[C@@H](C#N)CN(C(=O)Nc1ccc(OCc2ccccc2)c(Br)c1)C1CC1 611095507 KVUQDIVBZDTTOT-HNNXBMFYSA-N 428.330 5.184 30 20 IKED N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(NC(=O)CCCOc2ccccc2)cc1 611390683 OISNSVUBXWLQHN-HHHXNRCGSA-N 439.559 5.523 30 20 IKED CCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cnn1Cc1ccccc1 613318926 IQLQZTJVGWACJJ-HXUWFJFHSA-N 426.545 5.416 30 20 IKED C=CCn1c(SCC(=O)N[C@H](c2cccs2)C(C)(C)C)nnc1-c1ccc(F)cc1 613938520 ROCDXZHUPWXABM-LJQANCHMSA-N 444.601 5.327 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCc1ccc(C#N)c(Cl)c1 619768003 RXZVPLDHCCIQOR-ZDUSSCGKSA-N 446.359 5.458 30 20 IKED C=CCn1c(SCCC(=O)Nc2c(C(C)C)cccc2C(C)C)nnc1-c1ccco1 644541584 DEGMPPRFQRSVDQ-UHFFFAOYSA-N 438.597 6.092 30 20 IKED Cc1nc(-c2ccc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2)cs1 669600315 CYDWCWIMEKQJKN-HNNXBMFYSA-N 443.475 6.237 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1 679189358 VJPALQXPKMXVII-VIFPVBQESA-N 443.338 5.459 30 20 IKED Cc1cccc([C@H](NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C(F)(F)F)c1 681490426 WOAYGIOVGUDWBM-AVGNSLFASA-N 436.318 5.371 30 20 IKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\[C@H](C)c1cccs1 726421261 OZJNYZSNWMBBAC-HYPBDSNUSA-N 433.574 5.077 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc3ccccc3o2)[n+]2ccc(CCC)cc2)c1 726572449 FYXAOPJMXAZLFY-UHFFFAOYSA-O 439.560 5.977 30 20 IKED C=C(C)COc1cccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 727595124 ZQOXCBZRUCINAG-UHFFFAOYSA-N 431.483 5.033 30 20 IKED CCOC(=O)c1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 728175756 ZHXCHKZDLKQPOJ-UHFFFAOYSA-N 449.507 5.262 30 20 IKED COc1cccc(C(=O)/C(=C/c2cc(C)c(OCc3ccccn3)c(C)c2)c2ncc[nH]2)c1 729240714 XQYBFHQZJXQRBL-IWIPYMOSSA-N 439.515 5.433 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)cc1OC 730499848 ISQMIUBAIYUUSD-ZDRDQBANSA-N 432.520 5.207 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCc1nc2cc(Cl)ccc2s1 730686500 GTKUUTQCWMLYOA-KRWDZBQOSA-N 439.968 5.355 30 20 IKED CCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1-c1ccccc1 731312359 KRNOFHDDNATOCW-JOCHJYFZSA-N 445.544 5.039 30 20 IKED COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3cc(OC)c(OC)cc3C)c2)cc1 731318859 LOGWFVHIVGTLSS-MDWZMJQESA-N 431.488 5.169 30 20 IKED CC(C)n1cc(/C=C2/CC(C#N)(c3ccccc3)C/C(=C/c3cnn(C(C)C)c3)C2=O)cn1 732714563 VIGRBNQXGWFKLS-LXBWIMAGSA-N 439.563 5.533 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(C)n(-c3ccccc3C)c2C)ccc1OC 733276932 IORRGQKPMMNFIC-OAQYLSRUSA-N 431.536 5.022 30 20 IKED N#Cc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)cc1 733637865 GRIDYDOJGFJBTF-UHFFFAOYSA-N 430.361 5.225 30 20 IKED C=CC[C@@H](NC(=O)c1cc2sc(Nc3ccccc3OC)nc2s1)c1ccncc1 734555231 NJNOWVVQGCXBOB-OAHLLOKOSA-N 436.562 5.552 30 20 IKED CC(C)[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)NC(=O)OC(C)(C)C 734644740 UHFUAHMPNKVFCR-YADHBBJMSA-N 436.556 5.013 30 20 IKED C=CC[C@@H](NC(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1)c1ccncc1 734683717 PEAQXUWFWSCVQF-RUZDIDTESA-N 431.536 5.128 30 20 IKED C=CC[C@@H](C)NC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 735068130 TUWOUYZCLIQXHO-OAHLLOKOSA-N 427.620 5.650 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)cc1 735742937 LGUFEWQTAXKMML-YADHBBJMSA-N 440.330 5.504 30 20 IKED COc1cc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2C)cc(Br)c1OC(F)F 739423741 CIRDLZIRJMRVAY-XQRVVYSFSA-N 442.212 5.172 30 20 IKED C=CCN(C(=O)c1ccc(-c2ccccc2)n1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 741884409 CWHLSNCZBWDSFH-UHFFFAOYSA-N 444.516 5.557 30 20 IKED CCCOc1c(Cl)cc(C=NOCc2nnc(-c3cccc(F)c3)o2)cc1OCC 742352886 ZMNPJBHNDPNRJT-UHFFFAOYSA-N 433.867 5.267 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)c1 743221061 TWTZQSKJHGUHAB-LJQANCHMSA-N 436.899 5.530 30 20 IKED CCc1ccc(-c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)o2)cc1 744031212 UISPLXFNJCPKFT-MRXNPFEDSA-N 427.287 5.777 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H]3C[C@H](O)c3ccc(F)cc3)c2)cc1 746241867 PQXYJNLTCZMILD-RDGATRHJSA-N 430.479 5.218 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)s2)c(C)c1 746415525 FDMVBKMEHMCUEP-NRFANRHFSA-N 439.540 5.850 30 20 IKED C=CCn1c(-c2cccnc2)nn(CNC(C)(C)c2ccc(Cl)c(Cl)c2)c1=S 747791635 LSVLDOSNBYONLI-UHFFFAOYSA-N 434.396 5.451 30 20 IKED C=CCn1c(Cc2ccccc2)nn(CN(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1=S 747802261 CCGVGDMGBOEWBA-ZCYQVOJMSA-N 448.636 5.248 30 20 IKED O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1cc(O)cc(O)c1 753715986 IATONZDQGMSMPV-QPJJXVBHSA-N 428.271 5.553 30 20 IKED N#Cc1cc(F)c(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c(F)c1 756593236 TYSNDXWNEVNQTI-UHFFFAOYSA-N 442.805 5.078 30 20 IKED CC(C)(C)OC(=O)NCC(C)(C)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 757303133 CZQHZWKBDQQFJK-OAHLLOKOSA-N 433.961 5.191 30 20 IKED C#CC[C@@H](NC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)c1ccccc1 757897247 YQAATJJJGSROBW-OAQYLSRUSA-N 437.952 5.218 30 20 IKED N#C[C@H](C(=O)Cn1c(C2CCCCC2)nc2ccccc21)C(=O)Nc1ccccc1Cl 762025403 MWSDSSVSQOTXPC-QGZVFWFLSA-N 434.927 5.085 30 20 IKED COC(=O)Nc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc(C(F)(F)F)c1 763371632 ZNAKEOFAKPPZDU-LBPRGKRZSA-N 437.443 5.530 30 20 IKED CCn1c(NC(=O)c2cc(-c3cccnc3)nc3ccc(C)cc23)nc2cc(C#N)ccc21 764507669 KKNCITRVNQQBBA-UHFFFAOYSA-N 432.487 5.099 30 20 IKED CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 765590049 PXOXFCHLFLERIL-OXJNMPFZSA-N 435.505 5.172 30 20 IKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2F)NC1=O)Nc1cc(Cl)cc(Cl)c1 766284730 XSIHKLUTGOKBKV-CQSZACIVSA-N 446.718 5.034 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC(O)(c3ccccc3)CC2)c1 768586986 LADRVXFNJAGJTM-UHFFFAOYSA-N 432.907 5.128 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC=C(c3ccc(Cl)nc3)CC2)cc1 774023973 RVIZUNOHMMNRLC-QHCPKHFHSA-N 428.923 5.712 30 20 IKED C=CC[C@@H](C(=O)OCc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1)c1ccccc1 778428659 SNEFZRZGDZOHNC-OAQYLSRUSA-N 440.952 5.884 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 781463491 QOEMXBBXQAOHGL-MEDUHNTESA-N 429.345 5.004 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1 788349935 AHPIQTTXFFDNMC-AVRDEDQJSA-N 428.488 5.186 30 20 IKED COc1ccccc1-c1ncc(/C=C\C(=O)c2ccc(SCC(F)(F)F)cc2)cn1 792886401 UESGQQCMMVMAKX-WDZFZDKYSA-N 430.451 5.703 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)cc1 793450701 QEYFIUXICVPQKL-JIMJEQGWSA-N 433.515 5.205 30 20 IKED C[C@@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1nnc(-c2ccc(Cl)cc2Cl)o1 795981038 GYUMKVCXMKYVRQ-HIFRSBDPSA-N 430.291 5.735 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)CSc2nnc(-c3cccs3)n2C2CC2)s1 797568028 NTTQZZWDAKMJGD-CYBMUJFWSA-N 443.623 5.064 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(CCC)cc1)[n+]1ccc(Cc2ccccc2)cc1 797796015 OLTPVQKTYNSFBP-UHFFFAOYSA-O 443.636 5.894 30 20 IKED C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(c2c[nH]c3cc(F)ccc23)CC1 800773170 AMMZDACRPAXQSX-UHFFFAOYSA-N 436.922 5.184 30 20 IKED CCOC(=O)[C@H]1C/C(=C\c2csc(COc3ccc(OC)cc3)n2)C(=O)c2ccccc21 802708442 UOQSOAYNGOHXRC-KFGZODLXSA-N 449.528 5.047 30 20 IKED CC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(OC)c(OC)c1 806200303 CRXZVCDHHGZLOT-DHIUTWEWSA-N 429.520 5.632 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2nc3ccccc3cc2Br)cc1 808239593 KRNWPZUOSFTFJS-FQEVSTJZSA-N 442.316 5.905 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(N2CCCCC2=O)cc1 811973837 HXXNWDCGWFQSRI-FQEVSTJZSA-N 432.568 5.004 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 812185069 XEMOEHAJSQSPGE-VHFSOBRXSA-N 439.362 5.153 30 20 IKED Cn1cc(/C=C2/CC(C(C)(C)C)C/C(=C/c3cn(C)nc3C(F)F)C2=O)c(C(F)F)n1 812240122 JQFBSFGOYAWNDM-QXFGSWAMSA-N 438.469 5.521 30 20 IKED N#CCSc1ccccc1C(=O)NC[C@@H](OCc1ccccc1)c1ccc(Cl)cc1 816983664 GKXNRYZRXVTELV-JOCHJYFZSA-N 436.964 5.644 30 20 IKED CC(C)c1ccccc1N=C1SCCCN1C(=O)CCCc1nnc(-c2ccccc2)o1 915273976 IQMIQCUVWLYJSS-UHFFFAOYSA-N 448.592 5.836 30 20 IKED N#C[C@H](C(=O)COc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(SC(F)F)cc1 916888596 WWYCMRSHVBOLIV-CYBMUJFWSA-N 445.274 5.034 30 20 IKED N#C[C@@H](C(=O)Cc1ccc(Cl)cc1Cl)c1nc2cc(C(F)(F)F)ccc2s1 917043662 NBFCHAJQHCNBDV-LBPRGKRZSA-N 429.250 6.041 30 20 IKED Cc1[nH]c2ccccc2c1C1CCN(CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 917207813 QVWDYOSDWWYYII-IBGZPJMESA-N 428.561 5.142 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccn4cncc4c3)CCC2)cc1 1785841994 LCDMDRKBPUAZIN-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3nc4ccccc4[nH]3)CCC2)cc1 1786103060 IJTYJDCHNJUPOP-UHFFFAOYSA-N 428.536 5.079 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cccc4c[nH]nc34)cc2)CCC1 1788451247 HKDVZSTYAYRDOH-UHFFFAOYSA-N 428.536 5.079 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4nccnc4c3)cc2)CCC1 1789064053 AXVXMUYICJXGII-JOCHJYFZSA-N 440.547 5.146 30 20 IKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCS3)CCC2)cc1 1789510060 XLFBXJIVGAFRKG-OAQYLSRUSA-N 442.701 5.067 30 20 IKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4nc(C)c(C)s4)cc3)CCC2)c1 1789986167 TWOBXMVKVHOENX-UHFFFAOYSA-N 444.560 5.002 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)CCC2)cc1)C(F)(F)F 1791305162 BUZNURWFCXCGNH-WOJBJXKFSA-N 428.454 5.043 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4Cl)[nH]n3)CCC2)cc1 1791588211 KGQQYHFABHUTLU-UHFFFAOYSA-N 434.927 5.054 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1cccc(C)c1)C2 1798331662 WGFFNMKARBVLTC-KIHHCIJBSA-N 443.591 5.077 30 20 IKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccccc2)cc1 1803825174 WXKLSAAMPZOINY-OOSCYNTBSA-N 428.576 5.374 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2csc(C)c2C)[C@@H]1c1cccnc1 1806050128 GWNUWWIWKHMUQN-UNMCSNQZSA-N 439.625 5.072 30 20 IKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4ccc(C)cc4s3)[nH]n2)C1 1814397485 KYPWOABZMPPSPG-LJQANCHMSA-N 434.565 5.205 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C3CC3)cc2)n[nH]1 1821303508 AKDUWMXWYFDRAK-GMAHTHKFSA-N 432.568 5.361 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](c2ccc(F)cc2)C(C)C)[nH]n1 1821926201 LRRYYEIYYJOPMR-OAOOKAIFSA-N 440.563 5.193 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)n[nH]1 1822287507 MOQLDCMIETWWIU-GOSISDBHSA-N 447.366 5.017 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)c(C)c3Cl)CC2)C1 1823704837 WDNAZXKBHBQBSM-NRFANRHFSA-N 449.422 5.501 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)c2ccc(Cl)cc2)CC1 1823978060 TZMJIIINYSXKDC-YCRNBWNJSA-N 431.020 5.275 30 20 IKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1 1828459974 PQHJAVBAWCCWMU-QVQNZMNRSA-N 426.645 5.016 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3ncccc3c2)CC1 1828828841 SHTBKQMZEDWFGA-AHWVRZQESA-N 445.607 5.237 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3[nH]c(C)cc3c2)CC1 1831032707 FYBNSYQTWAOCEE-AREMUKBSSA-N 447.623 5.478 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cccc(O)c2)CC1 1831496586 KOCCXUBHWJBAFX-JHUUHBRDSA-N 438.612 5.018 30 20 IKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 1831861827 ZAZPWFSWZXRXCS-NRFANRHFSA-N 437.411 5.122 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)Cc2ccco2)CC1 1832275128 HSAIPAZJDULVPZ-NZQKXSOJSA-N 428.617 5.070 30 20 IKED O=C(/C(=C(\S)Nc1ccc(F)c(Cl)c1)[n+]1cccc(O)c1)c1ccc(Cl)s1 10757876 NVUNJQPFPZJRHN-UHFFFAOYSA-O 442.344 5.238 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2cccc(C)c2)cc1 10762615 QBCLRJYAOORIMX-UHFFFAOYSA-O 427.952 5.688 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cccc3ccccc23)c1 11126259 IOGCYDMPBJUBQT-UHFFFAOYSA-O 433.503 5.765 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1F)=C(/S)Nc1cccc2ccccc12 11126877 OMJUNGUYVATVIG-UHFFFAOYSA-O 447.530 6.019 30 20 IKED CCOc1ccc(-n2c(SC[C@H](C#N)CCC#N)nnc2-c2cccc(Cl)c2)cc1 15233011 KSIYDXGIBXZCPS-INIZCTEOSA-N 437.956 5.522 30 20 IKED C=CCNC(=O)c1ccccc1NC(=O)c1oc2ccccc2c1COc1ccccc1 15609406 CCPIHQDDROVCCL-UHFFFAOYSA-N 426.472 5.180 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(C(F)(F)F)cc2)cc1 16301400 GHBWVZHXZQRLKD-UHFFFAOYSA-N 426.463 5.799 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Cl)nc2sc(C)c(C)c2c1=O 16715493 QPIMMBCEWFGSIO-CYBMUJFWSA-N 433.986 5.034 30 20 IKED Cc1cccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc3c(c2)CCCC3)c1 22729038 YYIPWWMUXDYKIR-UHFFFAOYSA-O 437.535 5.490 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nnc1-c1ccoc1C 23519601 QZOCBJZZYKWLAK-HOCLYGCPSA-N 436.537 5.137 30 20 IKED Cc1nn(-c2ccccc2Cl)c2sc(/C(O)=N/c3nnc(C(F)(F)F)s3)cc12 31564837 MGDFAANFSNSTAM-UHFFFAOYSA-N 443.863 5.555 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccccc2-c2ccccc2)CC1 32804609 FLXDSOWNYLKZPQ-UHFFFAOYSA-N 438.487 5.328 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1Cl 46861581 HHDGZZKGUVPGMZ-JOCHJYFZSA-N 443.959 6.300 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C 62905719 XJGKSGUAHYHPKE-UHFFFAOYSA-N 433.508 5.148 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3cccc(F)c3)C[C@@H]3CCCO3)cc2)cc1 65374842 MYTLRLKTYPYWFL-VWLOTQADSA-N 445.494 5.703 30 20 IKED CSCc1nc2ccccc2n1CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 78719894 OXEWHLOQYSRWBE-UHFFFAOYSA-N 428.517 5.202 30 20 IKED Cc1ccc(-n2cc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)c(-c3ccccc3)n2)cc1 301758963 FXDYMAOOBMJTHL-NRFANRHFSA-N 431.499 5.225 30 20 IKED CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1SC[C@H](C)C#N 303353450 FTGUXOYSGMLINY-OAHLLOKOSA-N 436.408 6.688 30 20 IKED Cc1nc(NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)sc1SCC#N 409813678 UTEWIODLRMVQRX-UHFFFAOYSA-N 442.513 5.267 30 20 IKED N#CCCn1ncc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)c1-c1ccccc1 428283510 TZKOFFRARIBDMZ-UHFFFAOYSA-N 447.951 5.417 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C(=O)c4ccc(F)cc4)CC3)cc2)cc1 433237678 ZEORVGUDYMOSCA-UHFFFAOYSA-N 443.478 5.616 30 20 IKED CCO[C@H](C)c1nc(CN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cs1 437842647 REBRFKOPQZRJRY-MRXNPFEDSA-N 436.537 5.568 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(OCC4CC4)CC3)cc2Cl)c1 437963663 PBDSKVDOISVJSV-UHFFFAOYSA-N 439.943 5.214 30 20 IKED COc1ccccc1-c1noc([C@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)n1 438054504 MWQSOYAQHQHVAI-CABCVRRESA-N 437.525 5.022 30 20 IKED CCn1c(SCC(=O)c2cccc(C#N)c2)nc2scc(-c3cccs3)c2c1=O 439065833 PTSNQPICJIOOGE-UHFFFAOYSA-N 437.571 5.053 30 20 IKED N#CCC[C@H](NC(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1)c1ccccc1 439381811 PHIVHVXFVMIBJZ-QFIPXVFZSA-N 430.483 5.173 30 20 IKED N#CCC[C@@H](NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1ccccc1 439675326 SPKRDSYLWUWIMI-HSZRJFAPSA-N 431.561 5.484 30 20 IKED CSc1cccc([C@@H](NC(=O)NCC2CCC(C#N)CC2)c2ccc(F)c(F)c2)c1 440983883 CAVUFWAEHPUYIH-WTOQYCPUSA-N 429.536 5.405 30 20 IKED COc1cnccc1-c1noc(-c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)n1 445623072 HFDJFXMBGAUFHT-UHFFFAOYSA-N 447.520 5.146 30 20 IKED N#Cc1cccc(-c2cc(C(=O)N(c3ccccc3)c3ncccc3Br)on2)c1 448181337 SPDQJYQGTUHTFP-UHFFFAOYSA-N 445.276 5.349 30 20 IKED Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1Cc1cccs1 461509168 RFSIGSTURRZBFD-OAHLLOKOSA-N 434.594 5.225 30 20 IKED C[C@@H]1C[C@H](c2ccccc2F)N(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)C1 461804223 BYUVDPNJZMBXEY-UTSGNWPNSA-N 445.542 5.112 30 20 IKED CCOc1ccc(-c2nc(CC)c(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)s2)cc1 464459873 ISBYLHOZMQSXCN-MRXNPFEDSA-N 445.466 5.675 30 20 IKED Cc1c(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cnn1-c1cccc(C(F)(F)F)c1 464937949 LGYHYZARWJATKW-RBBKRZOGSA-N 438.453 5.112 30 20 IKED CCO[C@H](CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)C1=CCCC1 465031820 LIDYQXXWVYJOQA-LJQANCHMSA-N 449.498 5.468 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 465761346 SQPIBKBBGSKZIC-VLCRHTCISA-N 430.577 5.661 30 20 IKED COc1ccc([C@@H](C)CCNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 466033107 HBXVASUDGWTWRS-FQEVSTJZSA-N 445.538 5.612 30 20 IKED C[C@H](C#N)CSc1ccccc1N[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 466149498 WJMLKDBOOKUYSN-CHWSQXEVSA-N 433.364 6.468 30 20 IKED CC(C)N(Cc1cc(Br)ccc1F)C(=O)Nc1ncccc1OCCCC#N 466606916 KEVGLFGTVHIYGT-UHFFFAOYSA-N 449.324 5.108 30 20 IKED N#CCCSc1ccccc1NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 467519282 BERCSQMXHFXRFQ-UHFFFAOYSA-N 448.331 5.818 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)ccc21 469971875 IYWOHGBKLSCHMA-VQTJNVASSA-N 442.346 5.319 30 20 IKED Cc1ccc(NC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)c(OCc2ccccc2)c1 471358643 VVNZMNIELUCROY-HSZRJFAPSA-N 440.547 5.004 30 20 IKED CC[C@@H](NC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1nc(C(F)(F)F)cs1 473895259 IGDWQHODCOZBCM-GFCCVEGCSA-N 440.384 5.619 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)C[C@@H](CC#N)c1ccccc1 476686859 IVMXTBLFHGDZKA-LJQANCHMSA-N 431.923 5.927 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)NCCc1nc2ccccc2n1C(F)F 477698721 ZECNEZXEGPSGAP-UHFFFAOYSA-N 432.430 5.068 30 20 IKED CC(C)c1c(NC(=O)Nc2cccc(OCCCC#N)c2)cnn1-c1ccc(Cl)cc1 485205672 KZMSPGQLXFIFIV-UHFFFAOYSA-N 437.931 5.976 30 20 IKED Cc1cccc(CN(Cc2ccccn2)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1 486331122 IADNJANDILJPHC-UHFFFAOYSA-N 437.499 5.276 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)Cc3csc(-c4cccc(F)c4)n3)s2)cc1 487295351 WDAQKUVNEXAMLW-UHFFFAOYSA-N 434.521 5.049 30 20 IKED C=C(C)Cn1c(S[C@H](C(=O)Nc2cccc(C)c2C)C(C)C)nnc1-c1ccncc1 489442734 VGMLKBYGPUXYRR-NRFANRHFSA-N 435.597 5.288 30 20 IKED CCOc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1Br 490493180 PXPCYZJOIXUVDC-UHFFFAOYSA-N 441.281 5.144 30 20 IKED Cc1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)cc1S(=O)(=O)C1CCCC1 491150109 VCTSPWUUKPFJSZ-UHFFFAOYSA-N 438.574 5.358 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 494067770 BRWZZAOSUNFFQM-IRXDYDNUSA-N 440.638 5.828 30 20 IKED C[C@H](CCCC(F)(F)F)NC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 494806896 FVSSUAMKGWTYCS-ZWNOBZJWSA-N 438.334 6.119 30 20 IKED CCCC[C@H](Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)C(=O)Nc1cc(C)on1 495684742 QPYYXJPNXQAYNK-FQEVSTJZSA-N 434.496 5.265 30 20 IKED COc1cc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc(OC)c1 502469894 UMYHJSVDWRYGGG-UHFFFAOYSA-N 437.883 5.452 30 20 IKED C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CC=C(c2ccc(C#N)cc2)CC1 502547414 BCLKIDAGFYKRKC-CQSZACIVSA-N 433.861 5.347 30 20 IKED CCN(C(=O)[C@H](C)Oc1ccccc1C#N)[C@H]1CCSc2ccc(Br)cc21 504558228 BRDVOQCPTGNVMR-KSSFIOAISA-N 445.382 5.174 30 20 IKED CC1CCN(C2CCC(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)CC1 505151740 SJERRICTJCKJGD-UHFFFAOYSA-N 447.648 5.623 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCOc2c(Br)cccc21 505309937 HGYUHIAGFBXEDF-CZUORRHYSA-N 446.370 5.489 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2[nH]c3ccc(F)cc3c2Cl)cc1 505692535 WFCWSRGUDVAUHB-UHFFFAOYSA-N 435.842 5.885 30 20 IKED Cc1ccc([C@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)N2CCCC2)o1 506466077 ZIRVNWWQZLSAOB-QHCPKHFHSA-N 445.588 5.319 30 20 IKED COc1cc([C@@H](C)NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)ccc1OCc1ccccc1 507187548 KZQMKFCUERVTNR-GOSISDBHSA-N 444.506 5.194 30 20 IKED CCCc1noc2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)c12 508209958 FTLJSSJPDQDPPR-SFHVURJKSA-N 442.544 5.975 30 20 IKED C=C(C)CCc1noc([C@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)n1 508645111 KGLQACXCGBAGRK-AWEZNQCLSA-N 438.578 5.950 30 20 IKED CN(C(=O)c1cccc(NC(=O)c2ccccc2-c2ccccc2C#N)c1)c1ccccc1 512670701 PUORQMNTIKZMLJ-UHFFFAOYSA-N 431.495 5.754 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)n1 513653948 ICGFIBBBFKLZMU-INIZCTEOSA-N 433.385 6.541 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)CCc2ccccc2)nnc1-c1ccc(Cl)cc1 514180009 NQRNZWQLPNFMOH-QGZVFWFLSA-N 441.000 5.014 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)Cc3csc(-c4ccc(Cl)cc4)n3)n2)cc1 514650250 VCXMGFLZNUVPRK-UHFFFAOYSA-N 436.949 5.640 30 20 IKED Cc1oc(-c2ccccc2)nc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 518150953 LLVSHBQPNYRXHU-UHFFFAOYSA-N 431.439 5.927 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3sccc3C)o2)c1 519321472 RUHKLUBPLMDLSQ-INIZCTEOSA-N 426.567 5.151 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)cc1 521743638 WRCJVKLNYQMSPR-VWLOTQADSA-N 436.515 6.591 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@]2(C#N)CCC[C@H](C)C2)c(OC)c1 523970636 UIJYLMXLQPUWII-XRHLQHRESA-N 445.563 5.373 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H](OCC(F)(F)F)C2)cc1F 525743271 PCMXHRMYFKZNMM-INIZCTEOSA-N 437.393 5.065 30 20 IKED COc1cc(OC)c(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1F 534884660 RBSAUFZDXPYAHZ-UHFFFAOYSA-N 426.831 5.413 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N(Cc1cccc2ccccc12)c1ccccc1 537417333 SUQXTORCBCOOJC-UHFFFAOYSA-N 436.559 5.733 30 20 IKED COc1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1OC1CCCC1 541292449 SLRLMFSZIOEGAC-UHFFFAOYSA-N 443.503 5.636 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1 553079589 WZGSKMVKZPZLEK-QHCPKHFHSA-N 443.515 5.488 30 20 IKED C[C@H](Nc1cc(N[C@H](C)c2ccc(C#N)cc2)c([N+](=O)[O-])cc1C#N)c1ccc(C#N)cc1 553310012 RXNOVYPPAVQCCF-DLBZAZTESA-N 436.475 5.556 30 20 IKED N#CCCN(C(=O)c1oc2ccccc2c1CSc1ncccn1)c1ccc(F)cc1 553820825 DDCBUKDIZFVSDR-UHFFFAOYSA-N 432.480 5.215 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)NCCc2c[nH]c3cccc(Br)c23)cc1 554920177 WLMDJMZFAGIGPG-UHFFFAOYSA-N 425.330 5.096 30 20 IKED Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)c1ncc(C#N)cc1C 556334883 TWZTZABNXNLRDD-UHFFFAOYSA-N 427.483 5.559 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3c[nH]cc3-c3ccc(Cl)s3)CC2)c(F)c1 557659770 IRHISVKICJEIKX-UHFFFAOYSA-N 429.904 5.091 30 20 IKED C=CCOc1ccccc1CNC(=O)c1ccccc1SCc1cn2ccccc2n1 561977928 GALGROMSBUZIBX-UHFFFAOYSA-N 429.545 5.121 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(OC)c(OCC(F)(F)F)c1 562072329 HRSBYPYKCRXCFE-UHFFFAOYSA-N 440.466 5.024 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2c(Br)cccc2SCC)cc1 563484916 IIHJBKDJXLDGMJ-UHFFFAOYSA-N 449.374 5.513 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC3(C2)Oc2ccccc2O3)c1 567021354 RUSJIRDVFCRMOL-UHFFFAOYSA-N 432.863 5.018 30 20 IKED C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 589047891 ZMJIJHQTEUMYSN-SECBINFHSA-N 441.299 5.314 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 603657036 RDVQERPYCILJHR-LJQANCHMSA-N 445.350 5.430 30 20 IKED C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 603757510 OCSQVGXXEBRLLY-LBPRGKRZSA-N 449.429 5.169 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1Cl 603758894 NFYIUTKTOVEZEA-QFIPXVFZSA-N 441.918 6.222 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1sc(-c2ncccn2)nc1C 603958164 HIKXUPVVINQAQJ-UHFFFAOYSA-N 443.507 5.075 30 20 IKED CCOc1ccc(-n2c(Cc3ccccc3)nnc2S[C@@H](C#N)Cc2ccccc2)cc1 603980727 DZMDKMWBQRCXCW-XMMPIXPASA-N 440.572 5.484 30 20 IKED CCCCc1ccc([C@@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C(C)C)cc1 604127385 WDSPVJFKDKBYNI-VWLOTQADSA-N 431.584 5.007 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1C[C@@H]1c1c(F)cccc1F 604789575 YOFLSTXSMRAPCC-FPFACLPRSA-N 430.339 5.029 30 20 IKED O=C(Nc1ccccc1SCC(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 605028726 OKGVEFJRRPSBJN-UHFFFAOYSA-N 440.331 5.690 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 609078447 RFTRNBIYERNRMI-KRWDZBQOSA-N 435.474 5.949 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(Br)c3)cc2F)c1 609106039 HMRNSFBTEZDQCD-UHFFFAOYSA-N 425.257 5.291 30 20 IKED CCN(Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1)C1CC1 609174806 WMLLBLVDJTUXSG-MHZLTWQESA-N 439.559 5.245 30 20 IKED C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609184675 BSLNSOZERCJORU-HXUWFJFHSA-N 426.516 5.063 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 609297146 LUMXFYJQIYLOJM-UHFFFAOYSA-N 441.418 5.587 30 20 IKED Cc1nc(COc2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)no1 609375950 UQBALDYNASLTAO-UHFFFAOYSA-N 442.500 5.232 30 20 IKED COc1cccc(C[C@]2(C(=O)Nc3ccccc3SC[C@H](C)C#N)C[C@H]3CC[C@H]2C3)c1 609786276 AZZPHITVACXGFR-NYWXEVPUSA-N 434.605 5.935 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)N[C@@H](C)c1cccc(C#N)c1 610326487 ZDXJVCMCIKZFGY-INIZCTEOSA-N 427.483 5.442 30 20 IKED N#Cc1cc(Cl)ccc1SCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 610655257 XDEOZVRFKRWQBM-INIZCTEOSA-N 427.938 5.336 30 20 IKED CSCc1c(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)oc2ccccc12 615815059 KQTRWZFXPLPHEX-UHFFFAOYSA-N 433.533 5.131 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2cccc(C)c2)n1CCC 617092289 OEYYSCHGNGCMHY-GOSISDBHSA-N 440.638 5.420 30 20 IKED Cc1ccc2oc(CN(Cc3ccco3)C(=O)N[C@@H]3CCc4cc(C#N)ccc43)cc2c1 618842093 HUMJNJKAHOCWLK-XMMPIXPASA-N 425.488 5.605 30 20 IKED O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)C1CC(F)(F)C1 679995178 ITAHNPMWXBWRQO-JTQLQIEISA-N 429.229 5.489 30 20 IKED CCc1nnc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)s1 680079560 ZWHSHBBQEFQONV-GFCCVEGCSA-N 437.331 5.531 30 20 IKED O=C(c1sc(-c2ccccc2)nc1C(F)F)N(CCC(F)(F)F)CC(F)(F)F 684161346 QITNZWSPZZWUAZ-UHFFFAOYSA-N 432.336 5.705 30 20 IKED O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 684799810 XHKDMTYWBZFXKX-QISWUMQESA-N 432.767 5.107 30 20 IKED C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1Cc2cccc(Br)c2C1 685545716 JHKGDWZPDJQESF-CQSZACIVSA-N 443.320 5.026 30 20 IKED C[C@@H](NC(=S)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c1ccc(Cl)cc1Cl 726464513 MGCWZYYAXWFGMX-GFCCVEGCSA-N 446.325 5.865 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnc(Cc3ccc(F)cc3)s2)cc1 727233458 QKTSSGHYVAXFCX-FQEVSTJZSA-N 435.524 5.177 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@H](C)c1nc2ccccc2n1C(F)F 728062090 DCXULVVDLFGYGO-QGZVFWFLSA-N 432.474 6.364 30 20 IKED O=C1/C(=C\c2csc(-c3ccccn3)n2)CCc2nc(-c3ccc(Cl)cc3)sc21 728439203 XIVYWKVSIVQKOR-KAMYIIQDSA-N 435.961 6.195 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2occc2CN2C(=O)Cc3ccccc32)cc1 728515509 DWHPPWDQOYJKSY-DEOSSOPVSA-N 447.494 5.277 30 20 IKED CC[C@H](C)Oc1ccccc1/C=C/C(=O)[C@H](C#N)C(=O)Nc1cc(C)c(Cl)cc1OC 729888003 ADIWUPCBZWFWKW-FNPQLZQRSA-N 440.927 5.195 30 20 IKED N#C[C@@H](C(=O)CSc1nnc(-c2ccccc2)s1)c1nc(-c2ccccc2)cs1 729939411 IZEXVKMASRFXLS-INIZCTEOSA-N 434.571 5.297 30 20 IKED N#CCSc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc(F)cc2)cc1F 730055655 GRIAXOBIGYDLAX-UHFFFAOYSA-N 438.455 5.043 30 20 IKED Cn1c([C@H](C#N)C(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)nc2ccccc21 730394590 ICHOEWBAUZLTML-HXOBKFHXSA-N 449.938 6.076 30 20 IKED CS(=O)(=O)c1ccccc1NN=Cc1sc(Nc2ccccc2Cl)nc1Cl 731934245 WRFAJBDZUSRBDL-UHFFFAOYSA-N 441.365 5.043 30 20 IKED O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CC/C1=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1 733083072 BXUJHYQZBUJTFG-XGGJEREUSA-N 433.445 5.456 30 20 IKED Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 733621059 HMLXYHNZHAKADH-RUZDIDTESA-N 439.563 5.046 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1 733786330 FPKNYGIMUBNFTK-HXUWFJFHSA-N 432.907 5.182 30 20 IKED C=CC[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2)c1ccncc1 734455775 LHGFYCRFEQIUGH-GOSISDBHSA-N 427.335 5.110 30 20 IKED C=CC[C@@H](NC(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1)c1ccncc1 734457283 IXHTZTUAWZOOHZ-QGZVFWFLSA-N 430.339 5.140 30 20 IKED Cc1cccc(C)c1NC(=O)CCCOC(=O)c1cccc(COc2cccc(C#N)c2)c1 734591063 ORMJQQFLIRZGPO-UHFFFAOYSA-N 442.515 5.330 30 20 IKED Cc1c(C(=O)/C=C\c2nccn2CC(F)(F)F)cnn1-c1ccc(Cl)cc1Cl 743056569 ZCKATTHFCUSBOV-PLNGDYQASA-N 429.229 5.142 30 20 IKED CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 743094926 FOXDGNQHDZHSGL-FTJBHMTQSA-N 429.539 6.212 30 20 IKED C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)Nc1cccc(OCC#N)c1 743101850 BFDXEYCWBSCXMN-KRWDZBQOSA-N 439.968 5.969 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(Cl)cc2cccnc12 745023099 VXBWIGWSXCIVJY-CQSZACIVSA-N 439.924 5.078 30 20 IKED C=CC[C@@H](NC(=O)N[C@H](c1cccc(SC)c1)c1cc(F)ccc1F)c1ccncc1 745827161 HBBWXMDLPVSSBD-DHIUTWEWSA-N 439.531 5.788 30 20 IKED C=CC[C@@H](NC(=O)N[C@@H](c1cccc(SC)c1)c1cc(F)ccc1F)c1ccncc1 745827165 HBBWXMDLPVSSBD-PKTZIBPZSA-N 439.531 5.788 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccn(-c4ccccc4Cl)n3)n2)cc1 748009956 LGLGRGZALZFYIN-MRXNPFEDSA-N 434.908 5.148 30 20 IKED Cc1ccccc1[C@@H](OC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1cccs1 748505375 OEPQUGQADKORCQ-JOCHJYFZSA-N 439.558 5.080 30 20 IKED CC[C@H](C)n1c(SCC(=O)N(CCC#N)c2ccc(C)c(C)c2)nnc1-c1ccccc1 749752025 OONAJCONESPZFN-FQEVSTJZSA-N 447.608 5.572 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 754473919 DFCUEFYZPSFSJY-RBBKRZOGSA-N 434.540 5.646 30 20 IKED CCSc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1 755607437 ZPJHKCHENWMGJK-JYRVWZFOSA-N 442.993 6.489 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc4ccc(Cl)cc4n3)n2)cc1 759268031 LCZDSYWDQFAQGC-ZBWUASRJSA-N 445.931 5.910 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCC4(CC3)OCc3ccccc34)c2)s1 760171072 ISEDXDHUIIVYNE-UHFFFAOYSA-N 429.545 5.018 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1 761626637 DEFVAOWGWNIICW-UHFFFAOYSA-N 425.319 6.003 30 20 IKED N#CCOc1ccc(Cc2nc(-c3cc(Br)cc(C(F)(F)F)c3)no2)cc1 762333915 PFEXDCPLJRPZCO-UHFFFAOYSA-N 438.203 5.011 30 20 IKED C=C(C)C[C@H](C)C(=O)OCc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1 767694931 IAZDMKVEQADLAB-ZDUSSCGKSA-N 426.460 5.492 30 20 IKED CC(C)c1ccc(N2Cc3ccc(NC(=O)N(CCC#N)CCCN(C)C)cc3C2)cc1 772589845 LIGIQCPGRAOTDY-UHFFFAOYSA-N 433.600 5.029 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCCc3ccc(Br)cc32)ccc1OC 772980556 SRYVHEVNQLLDSZ-AZUAARDMSA-N 429.358 5.306 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2)[C@H](CO)C2CC2)cc1 779020433 MCIQCWQKKLIIJU-CLJLJLNGSA-N 425.532 5.147 30 20 IKED N#Cc1cccc(COc2ccc(NCc3ncc(Br)s3)cc2Cl)c1 783589628 PCUKOSXIMJXUDT-UHFFFAOYSA-N 434.746 5.622 30 20 IKED COc1cccc(C(=O)/C(=C\c2ccc(-c3nc4ccccc4s3)o2)c2ncc[nH]2)c1 787169099 LTZDJPLFDRAGDU-NBVRZTHBSA-N 427.485 5.712 30 20 IKED C[C@@H]1CC[C@@H](N2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccsc2)C1 790739291 XUWXOCLJILFVHL-SIIHOXLZSA-N 431.558 5.036 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN(Cc2ccccc2Cl)CC2CC2)c1=S 795677536 ZFQUUCXECRZFEZ-UHFFFAOYSA-N 425.989 5.185 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cnc2c(F)cccc2c1 796746489 LAHPOMZXZURPAT-IBGZPJMESA-N 425.419 5.127 30 20 IKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CC(F)(F)F)c1 799222515 AMLKLDMXFIPAJT-SFHVURJKSA-N 449.498 5.080 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CC(C)(C)[C@H]2c2cccs2)c1=S 808223819 OLFINDMZMNFMFF-LJQANCHMSA-N 426.611 5.378 30 20 IKED C#C[C@H](N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccc(F)cc1 812310385 VOAUYQHUVYYICN-RBBKRZOGSA-N 437.858 5.031 30 20 IKED Cc1ccc([C@](O)(Cc2noc(-c3sc4ccc(C#N)cc4c3C)n2)C(F)(F)F)o1 813892555 XBTCHLWMUSYGFH-LJQANCHMSA-N 433.411 5.025 30 20 IKED C=CCN(C(=O)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)o1)C(C)C 815398327 DOAZLEZGVWSGQR-UHFFFAOYSA-N 444.531 5.355 30 20 IKED COc1cc(C#N)cc(Cl)c1OC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 841582910 BLJIQNSNTSEJKT-UHFFFAOYSA-N 437.839 5.161 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2ccccc2NC(=O)c2ccccc2)cc1OC 915196459 YCANAAMYVVWXRP-PEZBUJJGSA-N 428.488 5.164 30 20 IKED C[C@@H](/N=C/c1cc2ccccc2nc1O)c1cccc(NC(=O)Cc2ccccc2F)c1 915982267 VCWFRTJVBGCSIY-TXMABLNQSA-N 427.479 5.441 30 20 IKED CCN(CC)c1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 916720732 NRIREPGQGFFSTB-UHFFFAOYSA-N 442.563 5.500 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)Nc1ccc(Cl)cc1 916883760 UFEBDYMETKQTHO-INIZCTEOSA-N 430.316 5.007 30 20 IKED CCCOc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1OCCC 916917909 LESPBRQWXUTIPJ-NRFANRHFSA-N 430.504 5.379 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(-c2ccc(F)cc2)n1 916928004 RJWSDJHDYDDQJW-ZDUSSCGKSA-N 434.279 5.217 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cc3cc(Cl)ccc3o2)cs1 917560274 VBZRMOIDXVTCAP-RMKNXTFCSA-N 436.920 6.432 30 20 IKED COC(=O)c1sc(-c2ccccc2Cl)cc1NC(=S)Nc1ccccc1C#N 917595058 YAVCGOYTFUOCMA-UHFFFAOYSA-N 427.938 5.536 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(COC(=O)CCc2ccc(C#N)cc2)cs1 919031876 SASQBHLBTVKMHC-UHFFFAOYSA-N 439.924 5.029 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C 920109892 VGYRNVGGQWGLAG-HSZRJFAPSA-N 447.966 5.834 30 20 IKED Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1csc(-c2ccsc2)n1 920367968 KDCRDHHCFZYZAB-UHFFFAOYSA-N 438.390 5.608 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806096 UONRKGRCRFLSQS-OYHNWAKOSA-N 437.471 5.240 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC([C@H](O)c4ccccc4)CC3)cc2)cc1 921120835 ZTLFWBQBFWHQKY-RUZDIDTESA-N 427.504 5.328 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCCCCC(C)(C)C)C1 1781931340 JUPGNIGRSJNCCS-AJTFRIOCSA-N 448.692 5.489 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccsc4)cc3)CCC2)c(Cl)c1 1787286716 FAWGHLXIZMEDPR-UHFFFAOYSA-N 435.936 5.335 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(F)ccc3Cl)cc2)CCC1 1790669671 GIGNWHNPGFUPEV-HNNXBMFYSA-N 445.922 5.028 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)CCC2)cc1 1791580446 CSVUMEWIWIPROI-LEWJYISDSA-N 436.502 5.006 30 20 IKED Cc1cccnc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792123068 IAXVEVAAKIEQTC-LJQANCHMSA-N 438.531 5.079 30 20 IKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccc(Cl)cc5[nH]4)CCC3)cc2)CCC1 1792227844 DAVYILMECXVLNL-UHFFFAOYSA-N 446.938 5.263 30 20 IKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1 1822401423 PNWUDRICEUYJFK-JOCHJYFZSA-N 430.508 5.084 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3ncccc3c2)CC1 1823752720 WXSQGISWGXUYBZ-RUZDIDTESA-N 447.623 5.461 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3sc(C)nc3c2)CC1 1828253911 TVNFDDVTKFSUEJ-VGSWGCGISA-N 439.625 5.050 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/Sc2ccc(C)cc2)CC1 1828879355 HDXVQJVOIVOFFR-PKRRCUFJSA-N 440.653 5.433 30 20 IKED Cc1ccc(CNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)cc1F 26617870 OZOQORAJOBNGHS-UHFFFAOYSA-N 445.338 5.287 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cn(-c2ccccc2Cl)nn1 58699200 GVHVLPYBDMAZJS-UHFFFAOYSA-N 429.867 5.145 30 20 IKED CC(C)(CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cccc(Cl)c1 60686274 LUKVTULZXDHRFV-UHFFFAOYSA-N 447.922 5.036 30 20 IKED C=CCN(C(=O)CSCc1cc(-c2cccs2)on1)c1nc2c(s1)CCCC2 61115946 NEQHPLAGJBQEDH-UHFFFAOYSA-N 431.608 5.191 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccccc1COCc1ccccc1 106318704 KGYUQFXMYDADJP-UHFFFAOYSA-N 432.523 5.872 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3)c2)c1 107867354 YMAMWLHANSLABB-UHFFFAOYSA-N 428.879 5.229 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 303189874 MEWKRCHVBXKLAC-RUZDIDTESA-N 439.559 5.296 30 20 IKED OC(CSCc1cc(-c2cccs2)on1)=Nc1cccc(NCC(F)(F)F)c1 328591396 BUMVHPKVMVMTSV-UHFFFAOYSA-N 427.473 5.899 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)cc1 409804748 CPGGPGPHQKSBCG-OFVILXPXSA-N 427.504 5.640 30 20 IKED CCCn1nccc1C1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 410290668 MTGDACDQFLIVTN-UHFFFAOYSA-N 448.954 5.630 30 20 IKED Cc1c(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cccc1C(=O)Nc1ccccc1 428929690 VCPYAAIINGELCN-UHFFFAOYSA-N 449.514 5.277 30 20 IKED Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1sc2ccc(C#N)cc2c1C 431355529 IVXFLCXMCWAMLX-UHFFFAOYSA-N 431.561 5.705 30 20 IKED Cc1c(C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)sc2ccc(C#N)cc12 431960871 QAMVASYZPVWKLJ-UHFFFAOYSA-N 435.892 5.832 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(Br)c(C)c2)cc1 431968841 CEDBEKKTOHJGDS-FQEVSTJZSA-N 442.357 5.042 30 20 IKED N#CCCC[C@H](NCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)c1ccccc1 433018128 CSGPVFPPRILOES-PZJWPPBQSA-N 432.549 5.044 30 20 IKED CO[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)[C@H](C)C1 441669185 LLEKQSTXXXINAI-AUUYWEPGSA-N 433.430 5.401 30 20 IKED COc1cc(C(C)=O)ccc1S[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 441931477 WTRVSGDTJKUCNZ-AWEZNQCLSA-N 428.579 5.219 30 20 IKED C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446633077 WTERSLUKWBZWDK-NNGSBXSVSA-N 447.366 5.353 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ncoc3-c3ccccc3Cl)cc2)c1 460172569 LKZZJIPURCENDO-UHFFFAOYSA-N 429.863 5.698 30 20 IKED N#Cc1ccc(-c2nnc(N3CCC[C@@H]3c3ccc(Cl)cc3)n2C[C@H]2CCCCO2)cc1 461868621 MRDGSTSGGAEUGT-DHIUTWEWSA-N 447.970 5.381 30 20 IKED COc1ccccc1-c1noc([C@@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)n1 462756371 OKPHHJAMMHWKGZ-GOSISDBHSA-N 440.503 5.047 30 20 IKED Cc1nc(-c2cccc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)c2)cs1 463277082 RNEIIWZHZVCHBB-UHFFFAOYSA-N 438.512 5.495 30 20 IKED C[C@@H](NC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)c1ccc(C#N)cc1 463997707 RNKHZUCZHSRZAW-CQSZACIVSA-N 436.874 5.486 30 20 IKED CC[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1nc(C(F)(F)F)cs1 467704117 HHFZKURLYMQQTM-NWDGAFQWSA-N 428.505 5.686 30 20 IKED C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N(CCC(F)(F)F)CC(F)(F)F 468516524 IYLMTHCUTVTOOU-VIFPVBQESA-N 438.181 5.110 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCC(C(=O)c4ccc(F)cc4)CC3)c2)cc1 469158064 NUXZWWFKBRPLFY-UHFFFAOYSA-N 442.490 5.011 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)CCCCOc1cccc(C#N)c1 469350315 KELBHYBINVMVCU-LJQANCHMSA-N 433.577 5.759 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2sc(-c3ccccc3)nc2C)cc1 469506014 ATPJKRVXZGPVSU-KRWDZBQOSA-N 434.565 5.259 30 20 IKED C[C@@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C[C@@H]1n1ccnc1 469697164 DZDYASOGWSUCCB-VGSWGCGISA-N 449.942 5.102 30 20 IKED Cc1cc(C#N)ccc1C(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469748609 LZWHEJFRAJJXSO-GOSISDBHSA-N 442.359 5.118 30 20 IKED CCNc1ccc(C#N)cc1NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 469937094 CDOMXIFEFNMBSJ-JOCHJYFZSA-N 446.938 5.143 30 20 IKED Cc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 470217315 FVNJVZOLIFRIJB-UHFFFAOYSA-N 426.463 6.430 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCCC[C@@H]3c3ccc(F)cc3)ccc21 470537449 KJDLMIHVFDWKNY-JOCHJYFZSA-N 434.515 5.168 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3occc3CSc3ccccc3)ccc21 470765008 JKYVAGQKYJUCDY-UHFFFAOYSA-N 445.544 5.407 30 20 IKED C=CCN(C(=O)Cc1cnc2ccccc2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 475480582 UPESPOKUNHAQOS-UHFFFAOYSA-N 430.489 5.028 30 20 IKED Cc1c(COC(C)(C)C)cccc1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 475975603 WJOINIROZJNFSQ-UHFFFAOYSA-N 448.567 5.064 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCc1cccc(OCc2ccccc2C#N)c1 478271435 AYCFDXUOSQNLPG-MRXNPFEDSA-N 442.485 5.364 30 20 IKED N#CC[C@H](CC(=O)N(C[C@H]1CCCO1)c1ccc(Br)cc1)c1ccccc1 483343258 PSIJXJJXVNNTJG-WIYYLYMNSA-N 427.342 5.049 30 20 IKED N#Cc1cc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])ccc1Oc1ccccc1 485756912 MCVPRYNOWMSPEK-UHFFFAOYSA-N 444.266 5.335 30 20 IKED COc1ccc2nc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)ccc2c1 488009378 ANZSAIJSPAOLMG-UHFFFAOYSA-N 425.463 5.097 30 20 IKED N#Cc1cnc2c(F)cc(F)cc2c1NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 488208080 DOVICTNVYBVUDC-UHFFFAOYSA-N 445.473 5.116 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccc4ccccc4c3)o2)cc1 489808501 TUUMTANJTVTBEB-QGZVFWFLSA-N 445.544 5.424 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)nc2ccccc21 496096962 ZYQNYQRLDOOINX-HNNXBMFYSA-N 437.286 5.557 30 20 IKED CCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)[C@H](c1ccc(C(C)C)cc1)c1cccnc1 496555848 QXHQSZYWDCQAAB-FQRUVTKNSA-N 427.548 5.482 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F 498098459 OLAPICPUTRTVEU-HUUCEWRRSA-N 426.410 5.732 30 20 IKED C=CCC[C@@H](NC(=O)N1CCn2c(nnc2C2CCCC2)C1)c1ccc(C(F)(F)F)cc1 500103295 CFWFDDUKUBJPFX-LJQANCHMSA-N 447.505 5.187 30 20 IKED COc1cc(C2(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2)ccc1C 501878610 DIFCDGMJOLZWTJ-UHFFFAOYSA-N 426.516 5.319 30 20 IKED CN(C)Cc1cccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 504212283 MKODJLPQOWCLJR-QHCPKHFHSA-N 432.955 5.379 30 20 IKED FC(F)Oc1ccc([C@H](NCc2nc3cc(C(F)(F)F)ccc3o2)C(F)(F)F)cc1 510420433 PZKBQOBBABJBRQ-HNNXBMFYSA-N 440.290 5.841 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1c(Cl)cccc1Cl 511140493 GQSCSFWZESYFFB-UHFFFAOYSA-N 434.304 5.162 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccccc1OC[C@@H]1CCCO1 511567449 ZFBKKGUTOUJJJP-QFIPXVFZSA-N 428.488 5.469 30 20 IKED Cc1nnc(SCc2nc(O)c3c(-c4ccccc4Cl)csc3n2)c(C#N)c1C 511846412 LKGXVZCTBNJGIJ-UHFFFAOYSA-N 439.953 5.288 30 20 IKED Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1occc1COc1cccc(C#N)c1 512762013 MDSNVRYXSSJPQB-UHFFFAOYSA-N 427.435 5.492 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@H](C[C@@H]3CCOC3)c3ccccc3)cc2)ccn1 514696791 RMNBRYCKVFYQMU-MHECFPHRSA-N 428.492 5.035 30 20 IKED CC(=O)c1ccc(OCCCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 515157598 RAEVJIMLMBGQMN-UHFFFAOYSA-N 429.476 5.054 30 20 IKED CC(=O)c1ccc(-c2ccc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)o2)cc1 515627553 FMRXVDWYFPRFQL-UHFFFAOYSA-N 438.508 6.100 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccnc(OCc4ccccc4)c3)n2)cc1 516710693 OFZJOGSOGBXYPI-OAQYLSRUSA-N 425.513 5.583 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)cc1 516741352 TYFZFGHRIZOCNR-ZEQRLZLVSA-N 439.515 5.132 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 516836287 DAXYSFWWCFJRPX-HOYKHHGWSA-N 427.504 5.099 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 518786708 VLAYGLRCVMAIFE-BEFAXECRSA-N 432.014 5.914 30 20 IKED N#Cc1cccc(OCCCCC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c1 518906856 YPLTZXSSQIFYDB-VWLOTQADSA-N 437.543 5.537 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cnn(-c3ccccc3Cl)c2)cc1 519939031 IEOGUIIHVXDJBW-UHFFFAOYSA-N 442.906 5.423 30 20 IKED CSc1cc2c(cc1NC(=O)c1ccc(Oc3ccc(CC#N)cc3)cc1)OCCO2 521957580 LELYPGSQPPGUSG-UHFFFAOYSA-N 432.501 5.290 30 20 IKED C[C@H](c1ccccc1)N1CCC(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 522502560 IDTIRXPSSYPVSB-OAQYLSRUSA-N 439.559 5.093 30 20 IKED C=CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 522766116 CFAASNOKDKHCPK-JTHBVZDNSA-N 445.529 5.486 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3nc(-c4cccc(Cl)c4)no3)cc2)cc1 523770143 KUARPASRQWVFED-UHFFFAOYSA-N 445.866 5.376 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)cc1 524111328 YCHFGNFWPVPVER-OAQYLSRUSA-N 447.495 5.138 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCCCC[C@@H]1c1ccncc1 524438159 SEAUPHFFZVOBRV-AREMUKBSSA-N 440.547 5.990 30 20 IKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(COc2cccc(C#N)c2)c1 524491625 IXKJIRFHMBLYPZ-KRWDZBQOSA-N 427.529 5.580 30 20 IKED Cn1ccc2c(NC(=O)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cccc21 527375747 LLGJRNOFDQPXSD-HXUWFJFHSA-N 442.906 5.064 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 531825773 MMRDEQYOPXRXSN-UHFFFAOYSA-N 444.510 5.071 30 20 IKED CC1(C)CC(/C=C/c2ccccn2)=Cc2c1sc(NC(=O)CN1C3CCC1CC3)c2C#N 532466968 YSIXHEQQBLDPKH-VOTSOKGWSA-N 444.604 5.358 30 20 IKED COc1cccc(COCCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 533590482 FSFKNHXVBQBNHO-UHFFFAOYSA-N 431.492 5.006 30 20 IKED CC[C@@H](C)n1nc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1C 537573566 SXAHTXNMFIPRLI-GFCCVEGCSA-N 447.486 5.353 30 20 IKED CC(C)(C)OCc1ccccc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 539145271 DZWKLHUVVDOJRA-INIZCTEOSA-N 426.488 5.893 30 20 IKED N#CCCCOc1cccc(NC(=O)c2ccc(Br)cc2C(F)(F)F)c1 539548697 OJWUIMAUJDFJKL-UHFFFAOYSA-N 427.220 5.403 30 20 IKED Cc1ccccc1OCc1nnc(SCCCC2(C#N)CCOCC2)n1-c1ccccc1 539713114 QVEYJZLHWWNBFG-UHFFFAOYSA-N 448.592 5.347 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)c1ccc(Br)cc1C(F)(F)F 540643147 IPKPQTLIWOVDMD-UHFFFAOYSA-N 430.117 5.878 30 20 IKED CN(C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 544569670 LLQPOIXINIMJMV-JWQCQUIFSA-N 429.495 5.433 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 548157116 XJHCXFKKKGSCGB-QGZVFWFLSA-N 437.565 5.301 30 20 IKED COC(=O)c1sc(NC(=O)c2ccccc2Sc2ccccc2C#N)nc1C1CC1 551238059 RRNUEWGPQVTHIQ-UHFFFAOYSA-N 435.530 5.082 30 20 IKED C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 555261581 WIBDIEITHPUQQH-SFHVURJKSA-N 435.597 5.248 30 20 IKED N#Cc1cc(Oc2ccc(NCc3ncc(-c4ccc(Br)cc4)o3)cc2)ccn1 558593265 UXOFTPOEFVHMOF-UHFFFAOYSA-N 447.292 5.775 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)c1nc(-c2ncoc2-c2cccc(C(F)(F)F)c2)no1 573139881 PSGXMNQJZIJRFK-GFCCVEGCSA-N 426.354 5.422 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NCc1ccc(C#N)c(Cl)c1 585746299 YRTUFTWGKVPIJL-UHFFFAOYSA-N 449.782 5.591 30 20 IKED Cc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c2cnn(Cc3cccs3)c2n1 603457953 CMPKZSGTEXWHSN-ZDUSSCGKSA-N 447.589 5.160 30 20 IKED CN(Cc1ccc(Br)cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603691874 VWKNWAKKHVLCGC-UHFFFAOYSA-N 437.297 5.172 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC(c4nc5ccccc5s4)CC3)o2)cc1 609055030 OQSKVSIWDZWDTD-UHFFFAOYSA-N 443.528 5.360 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 609177686 JKNRQKGMNLJIBY-UHFFFAOYSA-N 429.373 5.152 30 20 IKED C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1 609387239 UOUVTANOGXVXBP-WOJBJXKFSA-N 429.589 5.645 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)CCCCOc1cccc(C#N)c1)C1CC1 609499965 ADRFRBKYQBVYLF-KRWDZBQOSA-N 430.470 5.878 30 20 IKED COc1ccccc1[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 610017357 UDGQSQNZLJLQEK-FQEVSTJZSA-N 427.504 5.689 30 20 IKED Cc1ccc(C(=O)Nc2cc(C#N)ccc2OC(C)C)cc1NC(=O)Nc1ccccc1 610152540 HYKOPQZTYHCIQA-UHFFFAOYSA-N 428.492 5.550 30 20 IKED Cc1ccc(C#N)cc1NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 610425015 HMUIOMNNNKYISX-UHFFFAOYSA-N 438.331 5.342 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc3c(cnn3C(F)F)c2)cc1 610963539 YXCXKJOCCMEARK-UHFFFAOYSA-N 449.436 5.676 30 20 IKED COc1ccccc1OCC(=O)Nc1cccc(N[C@H]2CCCc3cc(C#N)ccc32)c1 611468774 ZVAFFWHMVBDXRI-QHCPKHFHSA-N 427.504 5.074 30 20 IKED COCCOCc1cccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 611815768 WZMXHQOQCNTLSH-IBGZPJMESA-N 429.520 5.271 30 20 IKED CC(C)(C)OC(=O)c1ccccc1C1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 619444501 YZCYSZOIRCRUDZ-QFIPXVFZSA-N 432.564 5.435 30 20 IKED N#C[C@H](C(=O)c1ccccc1NC(=O)c1ccccc1)c1nc2ccccc2n1C(F)F 642282471 UPVXCORLBGRQGV-QGZVFWFLSA-N 430.414 5.174 30 20 IKED C(=Nn1cnnc1-c1ccccc1)c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 725857154 YOJQOWUYUGWEIL-UHFFFAOYSA-N 430.471 5.426 30 20 IKED CC(C)(C)Sc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)cc1 726777189 FCPOAOQIQYDXBI-UHFFFAOYSA-N 449.536 5.515 30 20 IKED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(s2)-c2ccccc2C(C)(C)C3)c1 726858271 GYBLGSJFOIIKNB-LJQANCHMSA-N 430.529 5.219 30 20 IKED C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(N2CCOC2=O)cc1 729570442 KBFHLSHHTHJHQT-KRWDZBQOSA-N 442.475 5.190 30 20 IKED CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 730422303 VWADOGIISBCEIG-WMZOPIPTSA-N 443.931 5.110 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 732595823 AHWNSXLPRVCUKP-KKUQBAQOSA-N 438.527 5.279 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 732708989 WNJPOLKNJYKIJG-LJQANCHMSA-N 430.410 5.752 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)c1 733771101 MHFXDUXGVOXONY-KRWDZBQOSA-N 442.487 5.627 30 20 IKED Cc1c(F)cccc1-c1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)o1 734295832 BRYREHKCHLXCSH-UHFFFAOYSA-N 426.904 5.814 30 20 IKED C[C@H](OC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc2c(c1)CC(=O)N2 735210367 NAKICNYJVLWSNE-AWEZNQCLSA-N 432.863 5.417 30 20 IKED C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 739155746 URSZWWZNWNCXLN-NHYWBVRUSA-N 426.797 5.024 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2C)cs1 739426304 SMMJNFIZJOSMLK-UXBLZVDNSA-N 425.441 5.080 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Oc1cccc(-c2nc(C(C)(C)C)cs2)c1 740793939 RIJWYXVIWUBRRF-UHFFFAOYSA-N 435.549 5.235 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC[C@@H]1NC(=O)OC(C)(C)C 741059939 WWONCYQDGNDPGP-YSZBQJHXSA-N 448.567 5.109 30 20 IKED N#CCOc1ccc(CNC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)cc1 741685035 OYJGGGONDRNLQU-UHFFFAOYSA-N 428.275 5.013 30 20 IKED Cc1ncsc1/C=C1/CN(Cc2ccc(Cl)cc2)C/C(=C\c2scnc2C)C1=O 742433298 VNZBZNBOZIFNSW-ZZDPWUPLSA-N 442.009 5.422 30 20 IKED CC(C)(C)OC(=O)Cc1cccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 743094949 FWQDHBLYRWLZEL-DEOSSOPVSA-N 441.531 5.870 30 20 IKED C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1C(F)(F)F 744033317 SEESXNFBZHERCD-SMDDNHRTSA-N 426.797 5.339 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1C(F)(F)F 744038311 PXGICXPKBWPHDX-ZWNOBZJWSA-N 442.384 6.314 30 20 IKED Cc1cncc(C(=O)N2C[C@H](c3ccc([N+](=O)[O-])cc3)SC2=Nc2ccccc2C)c1 744354522 GNPZXHSSPQQKDR-OAQYLSRUSA-N 432.505 5.225 30 20 IKED C#CCN(Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1)[C@@H]1CCc2ccccc21 746502754 MNGWOJYPCGYZIP-XMMPIXPASA-N 429.589 5.064 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NOCc2ccc(C(F)(F)F)cc2)cs1 746576697 PQLIAQXXQDITOU-UHFFFAOYSA-N 433.455 5.706 30 20 IKED CC1(C)CC[C@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2ccccc21 747007647 YEBSWDSRBFEASU-ZCYQVOJMSA-N 437.543 5.209 30 20 IKED CSc1ccc2c(c1)CC/C(=C\c1csc(N(C(C)=O)c3ccc(C)cc3)n1)C2=O 748148552 TWQZHFJBZHRABZ-LDADJPATSA-N 434.586 6.071 30 20 IKED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)C1 750687126 KRCVMHQDAUMSSE-AOMKIAJQSA-N 445.972 5.287 30 20 IKED N#Cc1csc(C(=O)OCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)c1 752588358 VDJVRMNZNPVURG-UHFFFAOYSA-N 426.906 5.259 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 752701637 KUKGHLYHSLMEIZ-TZYHBYERSA-N 448.567 5.576 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 755633656 LPBUVFIRGFWZHA-UHFFFAOYSA-N 443.503 5.879 30 20 IKED COc1ccc2c(c1)C=C(S(=O)(=O)Nc1ccc([C@@H](C#N)c3ccccc3)cc1)CC2 758148641 YMKODXGQJAABTG-VWLOTQADSA-N 430.529 5.080 30 20 IKED N#Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2Br)ccc1Oc1ccccc1 759215393 YWWUYCZGNOBTIU-UHFFFAOYSA-N 438.237 5.274 30 20 IKED CCN(C(=O)Cc1cccc(OCC#N)c1)[C@H](c1ccc(C(C)C)cc1)c1cccnc1 760456609 UIRBHSXUXLDHTN-HHHXNRCGSA-N 427.548 5.288 30 20 IKED N#CCCN(Cn1nc(Cc2ccccc2)n(C2CCCCC2)c1=S)CC(F)(F)F 765050527 ZDRNGIFBDBYAFX-UHFFFAOYSA-N 437.535 5.246 30 20 IKED N#C[C@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccc(OC(F)(F)F)cc1 768140275 LXNAJLDVGWXEQB-QFIPXVFZSA-N 448.404 5.190 30 20 IKED CC(=NNc1nc(O)c2cnn(C(C)(C)C)c2n1)c1ccc(OCc2cccc(C)c2)cc1 769807653 PUTXYVBAEOTOBN-UHFFFAOYSA-N 444.539 5.010 30 20 IKED N#C[C@H](COC(=O)c1ccc(NC(=O)CSc2cccs2)cc1)Cc1cccs1 772731085 AZPAIBDATWLTHQ-OAHLLOKOSA-N 442.587 5.080 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@@H](c2ccccc2)C2CCOCC2)n(C2CCCCC2)c1C 775439084 LHKQWRXDURURRK-SANMLTNESA-N 448.611 5.178 30 20 IKED COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)OCc1ccc(CC#N)cc1 776112450 IGFQWNRTNUNPFH-UHFFFAOYSA-N 430.888 5.119 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1 779197425 UALJKDUFAWXMGG-XMMPIXPASA-N 449.466 5.627 30 20 IKED Cc1ccc(N2CCOC2=O)cc1NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 782581468 LEJUXISHLKWHGZ-GOSISDBHSA-N 440.503 5.373 30 20 IKED Cc1cc(Br)cc2cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)oc12 783077722 XJWURKBWZRRRGF-HNNXBMFYSA-N 431.673 5.118 30 20 IKED COc1cccc([C@H](C)CCCC(=O)[C@H](C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)c1 789401967 AYIVBVXANCPJGA-BEFAXECRSA-N 442.943 5.287 30 20 IKED C[C@@H](C#N)Oc1ccc(CNc2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)cc1 790612449 AFCDPOZPDNTPEF-INIZCTEOSA-N 425.504 5.022 30 20 IKED Fc1ccc(C(C[C@H]2CCCO2)=NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc1 811644439 ZNLPAULYSDEUTJ-MRXNPFEDSA-N 445.420 5.082 30 20 IKED C[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccc(N2CCCOC2=O)cc1 814302361 CIKYPGXBWWKQCN-HXUWFJFHSA-N 441.531 5.335 30 20 IKED N#C[C@@H](C(=O)CCc1nc(-c2ccsc2)no1)c1nc(-c2ccc(Cl)cc2)cs1 915102409 YHGYPCRAFPMFCX-HNNXBMFYSA-N 440.937 5.384 30 20 IKED COc1ccc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)c2ccccc12 915944652 TVNCRMQTXLKBMD-UHFFFAOYSA-N 425.513 5.477 30 20 IKED Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2cccc(OCC#N)c2)cc1C 916409506 GIPUJPGKZHJXHF-UHFFFAOYSA-N 436.515 5.370 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@@H](C)Sc1ccccc1Cl 916899656 LAJJJHWSZKZEJA-CHWSQXEVSA-N 437.348 5.139 30 20 IKED CCCOc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916977225 NHPJSXFZKCMHKU-LJQANCHMSA-N 426.925 5.508 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)n1 917252085 FLCMFAHDOLADSK-OAHLLOKOSA-N 448.514 5.390 30 20 IKED CCCCOc1ccc(-c2nnc(CON=Cc3ccccc3Br)o2)cc1 917394858 SVCDGDIEZIBEIK-UHFFFAOYSA-N 430.302 5.229 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4cccs4)n3)n2)cc1 920140336 DQVHUTRVUVPEHH-MRXNPFEDSA-N 432.555 5.286 30 20 IKED COc1ccc(N2CCCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)cc1 921120795 ZMOYQHVEWONPFY-UHFFFAOYSA-N 442.519 5.103 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C\c2ccc(O)c(Cl)c2)C(=O)c2ccccc2)c(Cl)c1 921265493 HOHFQRFOMQCMAS-PDGQHHTCSA-N 440.326 6.221 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c(-c4ccc(C)cc4)c3)cc2)CCC1 1787029886 DMQKEYSCWZKUKZ-UHFFFAOYSA-N 425.532 5.151 30 20 IKED Cc1cc[nH]c1C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1787102769 FHXCWHKYMQLAJV-UHFFFAOYSA-N 435.644 5.122 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccoc4cn3)CCC2)cc1 1789625644 NBQPWELNRFDWLW-UHFFFAOYSA-N 431.536 5.568 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)nc3Cl)cc2)CCC1 1789705791 SBOGUHBRJBXRLS-UHFFFAOYSA-N 444.362 5.330 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3nn(CC)c4ccccc34)CCC2)cc1 1791247662 DWLVHYFGQWDFDT-SFHVURJKSA-N 430.552 5.016 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccnc1 1802494623 DXGIQKRPEVCTMO-IFMALSPDSA-N 439.987 5.047 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(F)c2Cl)[nH]n1 1814828864 VPWAMAIXJCBLDH-LJQANCHMSA-N 444.938 5.277 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2Cl)[nH]n1 1814830393 WTBRJWFOHFECLW-FQEVSTJZSA-N 426.948 5.137 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3sccc3[nH]2)CC1 1823752230 MYZGPAXNJZDSNR-OAQYLSRUSA-N 441.641 5.455 30 20 IKED CC(C)(C)CC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828904152 RDIZEIDUQHERJX-JOCHJYFZSA-N 432.725 5.093 30 20 IKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)CC1 1830980829 VQFINLCOIITMJG-JOCHJYFZSA-N 436.621 5.247 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 1831375439 WLNXIAYADIARLS-UTKZUKDTSA-N 436.518 5.151 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1F)=C(/S)Nc1cccc(Cl)c1 10830922 CZYLPAQFFHUUIO-UHFFFAOYSA-O 431.915 5.519 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1Cl 14133513 LLRBHHDCDICHNW-UHFFFAOYSA-N 437.327 5.308 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2ccc(C)c(F)c2)cc1 14872465 HGAAJOCDBQLVHP-UHFFFAOYSA-O 448.008 6.140 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1 60461764 NPDKLSSFDBEYOS-UHFFFAOYSA-N 445.466 5.421 30 20 IKED COc1ccc(OC)c([C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 61076279 FGFXMKKMCINLIT-QGZVFWFLSA-N 432.545 5.359 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(C(=O)NC(C)(C)CC)c(Cl)c2)cc1OC 64836828 OZMBQVXXJJRLKU-UHFFFAOYSA-N 430.932 5.084 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1noc(-c2cccs2)n1 96983030 BKDRMWVRIROSES-UHFFFAOYSA-N 445.957 5.100 30 20 IKED CCOc1cc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)ccc1OCc1ccccc1 208087731 WQSKNCZOQRBABF-QBFSEMIESA-N 443.499 5.517 30 20 IKED C=CCn1c(SCc2nccn2C(F)F)nc2scc(-c3cccs3)c2c1=O 302908884 HSIOEWIYHDURGM-UHFFFAOYSA-N 436.534 5.256 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N(Cc2ccc(F)cc2)C2CCOCC2)c1 427737915 YGTPUCVEGAGMNR-UHFFFAOYSA-N 444.506 5.098 30 20 IKED Cc1cccn2cc(-c3ccc(NC(=O)c4cnn(CCC#N)c4-c4ccccc4)cc3)nc12 429592134 KVQRJCCMLZIJCP-UHFFFAOYSA-N 446.514 5.339 30 20 IKED N#Cc1ccc(NC(=O)c2cccnc2Oc2ccc(Br)cc2)c(Cl)c1 430355400 HBGWXAAIYGTHQM-UHFFFAOYSA-N 428.673 5.414 30 20 IKED C[C@]12CCN(C(=O)Nc3cc(C(F)(F)F)ccc3SCC(F)F)C[C@@H]1C2(F)F 432961357 SFTBKXMJCHBJKQ-WFASDCNBSA-N 430.389 5.572 30 20 IKED CC(C)Cn1cc(NC(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)c(C(F)F)n1 432977592 DRNIUGQEOHIXMY-UHFFFAOYSA-N 442.335 5.741 30 20 IKED N#CCCC[C@H](NCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1 433014300 ROFRLAVXAYDBQZ-FCHUYYIVSA-N 430.379 5.682 30 20 IKED CC[C@@H](NC(=O)N[C@@H](c1cc(F)ccc1F)C(F)F)c1nc(C(F)(F)F)cs1 433607147 WBDQWTVOPAHHAP-PWSUYJOCSA-N 429.361 5.197 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N[C@H](c1cc(F)ccc1F)C(F)F 433618346 RWFZOUACWDXZQZ-HUUCEWRRSA-N 426.307 5.403 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c(C)c1 438859171 QFWRTFMURBKBKF-CYBMUJFWSA-N 435.471 5.353 30 20 IKED N#CC1CCC(CNC(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)CC1 442126137 GLYRCEMQDJJAGW-UHFFFAOYSA-N 432.446 5.022 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(CCO)[C@@H]2CCc3ccccc32)cc1Cl 444031025 HJBJCRWCXNWBDN-UKILVPOCSA-N 445.950 5.509 30 20 IKED CC(C)Oc1ccc(N2C(=O)[C@H](c3ccc(Cl)cc3Cl)N(C3CC3)C2=O)cc1C#N 445935306 QQZIEBGINYEOFO-FQEVSTJZSA-N 444.318 5.325 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)C3(c4cccc(C(F)(F)F)c4)CCC3)CC2)c1 460152777 VIJJPZVYQZZIHU-UHFFFAOYSA-N 428.454 5.069 30 20 IKED C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 464384647 PECMNVUCFCWDBX-FQEVSTJZSA-N 446.572 5.264 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCCc3sccc32)cc1Cl 467876875 PIHRZBHJNDKRCK-CTNGQTDRSA-N 449.963 5.189 30 20 IKED CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 467984000 MTTZLZYMKUFFHG-UHFFFAOYSA-N 445.485 5.047 30 20 IKED CC(C)[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1Cl 470565216 RLELSWPRDCCMLM-HSZRJFAPSA-N 438.959 5.442 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Nc3cc([C@H]4CCCO4)[nH]n3)cc2Cl)c1 471274014 SXPGJZPCJXXVHZ-HXUWFJFHSA-N 437.887 5.009 30 20 IKED COc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(OCC2CC2)c1 472532353 IGQZOGITMIWUAK-INIZCTEOSA-N 440.471 5.376 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@]4(CCCOC4)C3)cc2Cl)c1 473639960 KFWSBFHCMZHFQV-XMMPIXPASA-N 439.943 5.215 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 475615646 CCZHXZCMVPXBMP-KXBFYZLASA-N 449.498 5.705 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1nc(SCc2ccccc2)ns1 476164270 SEGMRVFIZMTLOR-UHFFFAOYSA-N 442.614 5.218 30 20 IKED CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2sc3ccc(C#N)cc3c2C)cc1 476678199 RULUUMYQPRUGRJ-INIZCTEOSA-N 434.565 5.446 30 20 IKED CCO[C@@H](C)c1nc(CN(C)C(=O)c2ccc(Sc3ccccc3C#N)cc2)cs1 479864428 OKHKRHYFWCNBNU-INIZCTEOSA-N 437.590 5.536 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccccc1C 481373230 NDGKRSNBDZJCIL-OAHLLOKOSA-N 437.956 5.996 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 482416868 DESWJIUDCAYBNO-SFHVURJKSA-N 444.400 5.298 30 20 IKED Cc1nc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(Br)s1 485723777 IWADFHCYPXMLAV-HNNXBMFYSA-N 446.757 5.775 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(SC)cc2)nnc1-c1cccc(Cl)c1 489637627 UURLSCKJCHKGAI-UHFFFAOYSA-N 430.986 5.237 30 20 IKED O=C(Nc1cc(F)c(OC(F)F)cc1F)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 491357951 CFSATSPALZIPAR-LLVKDONJSA-N 436.327 5.606 30 20 IKED CC1(C)C(=O)Nc2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cc21 494531634 KWHOFZBPAVLTRB-LJQANCHMSA-N 429.907 5.477 30 20 IKED C=CCc1cc(CNC(=O)N(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)cc(OC)c1OC 497792493 OORVICMPPKIKDN-HNNXBMFYSA-N 436.474 5.354 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1coc(-c2ccc(F)cc2)n1 499585291 MIKXLRNIGRGCSB-UHFFFAOYSA-N 449.429 5.686 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 500299088 QDHNZVFEUCLEEW-AREMUKBSSA-N 439.559 5.104 30 20 IKED Cc1nc(-c2ccc(CCNC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2)cs1 502327372 MSWCPFHHSMBABG-UHFFFAOYSA-N 428.561 5.032 30 20 IKED N#Cc1ccccc1COc1cccc(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 502343642 TXXBGRCHMSMGTF-HSZRJFAPSA-N 426.564 5.050 30 20 IKED CN(C(=O)CSc1ccc(C#N)cc1)[C@H]1CCSc2ccc(Br)cc21 504572254 GIUSSWHJZHVONZ-KRWDZBQOSA-N 433.396 5.108 30 20 IKED COc1cccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)NCCCCC#N)c1OC 505088234 XAAPDTWZDXOYEV-ZCXUNETKSA-N 441.531 5.162 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N[C@H](c2ccccc2)c2nccs2)cc1 505092057 FLRAFPNRBPHJLI-HSZRJFAPSA-N 425.513 5.113 30 20 IKED N#C[C@@H](NC(=O)Cc1ccc(Br)s1)c1ccc(OCc2ccccc2)cc1 505307057 ACPRQQIPFBKIOA-LJQANCHMSA-N 441.350 5.013 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 509055093 XVEPZBSHODEHKW-UHFFFAOYSA-N 445.548 5.011 30 20 IKED Cc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 509633415 JWTQQBOGVXVMHU-UHFFFAOYSA-N 426.451 5.023 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C 510507734 KEKPDICGJLZTDA-DEOSSOPVSA-N 432.499 5.223 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Nc2cnn(Cc3ccccc3)c2)cc1 511385775 VKSDQFBUHGDCJB-UHFFFAOYSA-N 437.503 5.220 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)c1 512552510 PJWRXEFPSRXIJL-UHFFFAOYSA-N 435.764 5.809 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(Sc3nncs3)cc2)c1 513233384 LMEJYQLNFUZJHU-UHFFFAOYSA-N 444.541 5.392 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2nc(-c3ccccc3)cs2)cc1C 517477000 OBQONXVMUHXSBG-UHFFFAOYSA-N 427.533 5.456 30 20 IKED CN1[C@H]2CC[C@H]1CC([C@@H](NCc1ccc(C#N)cc1C(F)(F)F)c1ccc(Cl)cc1)C2 518267020 FOQDBYOVCKOEJG-FUDKSRODSA-N 447.932 5.934 30 20 IKED CC(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 520005101 CGTFAKFIICKIHV-UHFFFAOYSA-N 427.504 5.071 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 520198040 YKRFTXGQGUREFT-MRXNPFEDSA-N 440.544 5.103 30 20 IKED C=CCOc1cccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccc3ccccc3c2)c1 520278325 SRCLYSFLUNTPIR-SANMLTNESA-N 436.511 5.249 30 20 IKED CCCOc1c(Cl)cc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1OCC 520546555 MLIPSYBJNDXBDE-UHFFFAOYSA-N 442.943 5.083 30 20 IKED COc1cc(-c2noc(CNc3ccccc3SC[C@H](C)C#N)n2)ccc1OC(F)F 520830609 IKWUQTSKXGLOQL-CYBMUJFWSA-N 446.479 5.210 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1nc(-c2c(F)cccc2F)cs1 521264315 ANUGPKYQBRSEPT-HNNXBMFYSA-N 440.862 5.417 30 20 IKED C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 521954921 IPSWTGDYKXPIIZ-CQSZACIVSA-N 426.303 5.886 30 20 IKED COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)Nc2ccn(CCC#N)n2)cc1 522728982 DDZODPHQWADKJP-ZPHPHTNESA-N 449.514 5.093 30 20 IKED C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 522842431 WEYLKAQKWIFKQP-IRLDBZIGSA-N 432.568 5.469 30 20 IKED N#Cc1c(NC(=O)CCc2nnc(-c3cc4ccccc4o3)o2)sc2c1CCCCCC2 523184045 FWNBTPNOGXNUHP-UHFFFAOYSA-N 446.532 5.646 30 20 IKED COc1ccc(CNc2cccc(-c3nnc4n3CCCCC4)c2C)cc1OCCCC#N 533210303 QMJNQUJNKGMIJR-UHFFFAOYSA-N 445.567 5.283 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(CCc2nccs2)C(C)C)cc1 533603840 WNUZQPDCYWZFLM-UHFFFAOYSA-N 436.537 5.301 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCC(OCC3CCCC3)CC2)cc1Cl 536396051 WFUXWJTYVPSSQV-UHFFFAOYSA-N 438.955 5.815 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2Cl)cc1 537134546 QYOZMLNJPASZLK-UHFFFAOYSA-N 444.840 6.256 30 20 IKED C[C@@H](C#N)CSc1ccccc1N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 538445933 SXSBOFPYMCSHFT-OXJNMPFZSA-N 447.526 5.560 30 20 IKED Cc1nc(-c2ccc([C@H](C)N[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)cc2)cs1 540377097 VOEKTARMTOCRQI-IRXDYDNUSA-N 436.556 5.244 30 20 IKED COc1cc(CN[C@H](C[C@H]2CCOC2)c2ccccc2)ccc1OCc1cccc(C#N)c1 540434052 RHARCBLKQSWBPS-AOYPEHQESA-N 442.559 5.403 30 20 IKED C[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(NC(=O)c2ccccc2)c1 540597860 XVPKRUYHNRCHKC-NRFANRHFSA-N 438.575 5.126 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F 544250517 RXJOTOKLLUMUMO-GTNSWQLSSA-N 429.414 5.784 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C)n(Cc2ccncc2)c1C 546583314 NIQVHJGBOLGEHC-UHFFFAOYSA-N 437.503 5.168 30 20 IKED Cc1c(C(=O)N(C)CCCc2cc(-c3ccccc3)n(C)n2)sc2ccc(C#N)cc12 551031440 OSJFNDUZTWSTSR-UHFFFAOYSA-N 428.561 5.187 30 20 IKED C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)N1CCC(C#N)(c2ccccn2)CC1 558629218 CQDABPUEZOXIJC-OAHLLOKOSA-N 427.335 5.662 30 20 IKED CCSc1ccc([C@H](C)NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 561421412 POJUFWAKHBDQEO-HOTGVXAUSA-N 427.595 5.009 30 20 IKED CC(C)NC(=O)Nc1ccc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 572145086 RGBZXYBKGFJYQD-UHFFFAOYSA-N 443.507 5.202 30 20 IKED C=CCn1c(Cc2ccccc2Cl)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 581100641 RHIPZLOYSFZUTH-FQEVSTJZSA-N 438.959 5.067 30 20 IKED N#Cc1cc(C(=O)Nc2c(-c3ccccc3)nc3ccc(Br)cn23)ccc1F 585748748 OUIZJEJKOBJYJA-UHFFFAOYSA-N 435.256 5.027 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 589621845 HPEZUERYGKHCIX-UHFFFAOYSA-N 434.502 5.149 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1 589741634 MBSJBNAXTYOTGU-SFHVURJKSA-N 436.487 5.242 30 20 IKED Cc1ccc(-n2ncc(C(=O)Nc3cc(C(F)(F)F)ccc3F)c2C(F)(F)F)cc1 590233650 GJPUNWMDBDTJSC-UHFFFAOYSA-N 431.311 5.610 30 20 IKED O=C(NCc1cc(F)ccc1F)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 591307658 ZUEGHTNZNKOYSG-UHFFFAOYSA-N 449.301 5.118 30 20 IKED COCCSc1ccc([C@H](C)NC(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 601184792 OGJKJUONIYNKBT-IBGZPJMESA-N 431.561 5.103 30 20 IKED Cc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1NC(=O)c1ccco1 603622813 ZKXBKXCJDVQAAJ-UHFFFAOYSA-N 438.443 5.152 30 20 IKED CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c2cccs2)cc1 603706209 NSTGBJHTLFWQOP-HSZRJFAPSA-N 445.588 5.517 30 20 IKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 603983514 DDPGIUJYXIILSS-UHFFFAOYSA-N 446.450 5.151 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 604196878 BIHCIQLQAUKYEB-OAQYLSRUSA-N 437.883 5.099 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnc(Cc2ccc(F)cc2)s1 608897373 ZIKIJCOEHDZZDL-UHFFFAOYSA-N 444.491 5.493 30 20 IKED CCC(=O)N[C@@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 609164423 NUXPPKOJXPQNEC-XUZZJYLKSA-N 431.923 5.201 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)Nc1cc(C#N)ccc1OC(F)F 609207560 DLRHDFYFAFNWOY-GFCCVEGCSA-N 446.454 5.613 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1cc(C(F)(F)F)ccc1Cl 609370746 UELHPYJOOGIUHF-GFCCVEGCSA-N 428.863 5.771 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(Br)cc1Cl 609398230 LTWVSVWYFGQADM-LBPRGKRZSA-N 438.778 5.676 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@@H](c3ccccc3)c3ccc4nc[nH]c4c3)cc2)nc1 609514585 FARBMWZDCBRGQV-SANMLTNESA-N 445.482 5.141 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 609556577 XVZZMZJBQCEWJK-QFIPXVFZSA-N 445.950 6.121 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 609633535 CPOAVKKPOFOGKO-JLTOFOAXSA-N 436.968 5.100 30 20 IKED CCO[C@@H](C)c1nc(CC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cs1 609754410 USLONBCDYJLYBW-KRWDZBQOSA-N 437.540 5.336 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H](OCCCc4ccccc4)C3)cn2)c1 610629423 GPAAOJDEDDNAGP-XMMPIXPASA-N 442.519 5.001 30 20 IKED Cc1coc(-c2ccc(C)c(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c2)n1 610743388 XKSRGUURPCCOGU-UHFFFAOYSA-N 425.448 5.661 30 20 IKED CC(C)n1c([C@@H]2CCCN(C(=O)c3c(Cl)cc(C#N)cc3Cl)C2)nc2ccccc21 611094531 MQLKXYBKJVQMSY-MRXNPFEDSA-N 441.362 5.815 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(NC(=O)c4ccco4)c3)n2)cc1 613318955 KKSZNAWTMXUPNR-LJQANCHMSA-N 427.485 5.454 30 20 IKED COc1ccc(NC(=S)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1Cl 726904893 HVOKRBSFQSKNRQ-UHFFFAOYSA-N 439.943 6.071 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(C(=O)OCc2ccccc2)c1 727604102 ONGCEMUNSPGRHF-UHFFFAOYSA-N 441.531 5.035 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)OCc2coc(-c3ccc(F)c(F)c3)n2)c1 728626758 ACVVULFPSOCLAH-UHFFFAOYSA-N 436.370 5.020 30 20 IKED CC[C@H](C)Oc1ccccc1/C=C\C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 729890021 WGBZYZIKJKQGEO-BPLJGICASA-N 444.503 5.539 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)C1CCCCC1 731405793 HXWVXPVZYPFBLW-WZONZLPQSA-N 435.593 5.457 30 20 IKED Cn1c(CC(=NOCc2csc(Br)c2)c2ccccc2)nc2ccccc21 731664863 YQMLHROJFSTVLI-UHFFFAOYSA-N 440.366 5.561 30 20 IKED Cc1nc(NN=C2CCC(NC(=O)OC(C)(C)C)CC2)c2c3c(sc2n1)CCCC3 731924957 UXCDBYBJTDZUNT-UHFFFAOYSA-N 429.590 5.114 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@H](O)c1ccc(F)cc1 732419875 KMHHNMMKPRXUCZ-GNOCETLISA-N 437.902 5.378 30 20 IKED N#CCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 732496000 LGQFULZSMVNPHI-QGZVFWFLSA-N 442.327 5.438 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)c1 733802749 AXMJBHUZOIQHGV-JOCHJYFZSA-N 444.535 5.171 30 20 IKED CCCN(Cc1ccccc1Br)C(=O)NCc1cccc(O[C@@H](C#N)CC)c1 733805023 MOSWKPUUIPNZLS-LJQANCHMSA-N 444.373 5.252 30 20 IKED Cc1ccc(-c2ncc(C=NNc3cc(C(F)(F)F)nc(-c4cccnc4)n3)s2)cc1 734299825 VYWMYEIZDBCNFS-UHFFFAOYSA-N 440.454 5.435 30 20 IKED C=CC[C@@H](NC(=O)N1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3)c1ccncc1 734679808 PEYYULUIEBIZFE-PGRDOPGGSA-N 433.552 5.068 30 20 IKED O=[N+]([O-])c1cc(Cl)cc(C=Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)c1O 734752994 NFTVYVDDHLMKTH-LJAQVGFWSA-N 428.897 5.153 30 20 IKED COC(=O)[C@@H](OC(=O)c1sc(-c2ccco2)nc1-c1ccccc1)c1ccc(C#N)cc1 740199457 QAJMFVOIGCUROF-FQEVSTJZSA-N 444.468 5.013 30 20 IKED C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NC1CCN(c2ccccc2C#N)CC1 740746021 UONXMDZXOKVXFC-AWEZNQCLSA-N 434.392 5.131 30 20 IKED CC(C)n1ncc2cc(/C=C3/C(=O)c4cccc(Br)c4[C@H]3C)c(Cl)nc21 742435037 PHWNIINZFHFGFK-UXYFDLPDSA-N 430.733 5.812 30 20 IKED C/C(=C\C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 742570727 CMGDPDUTHRZEHD-HLIIYUEKSA-N 433.314 5.698 30 20 IKED CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C#N)o2)NC(=O)N1c1ccc(C)c(F)c1 743742593 QSCKVJUPNUNEAE-QHCPKHFHSA-N 444.466 5.091 30 20 IKED N#C[C@@H](C(=O)CCc1ccc(Br)cc1F)c1nc(-c2ccccc2)cs1 745312679 CERXJHYZYYZWNX-INIZCTEOSA-N 429.314 5.521 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)NCCSc1ccccc1 745724198 MFWGBUMEZDAEEN-UHFFFAOYSA-N 435.593 5.679 30 20 IKED N#Cc1ccc(F)c(CNC(=O)N(Cc2ccccc2OC(F)(F)F)C2CCCC2)c1 745890878 DGIRIWYAGZRDFY-UHFFFAOYSA-N 435.421 5.250 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1 746251695 GBPDZFKVIIKLAM-AZGAKELHSA-N 444.506 5.005 30 20 IKED COc1ccc(N2C/C(=C/c3ccc(C#N)s3)C(=O)/C(=C/c3ccc(C#N)s3)C2)cc1 748999412 XQQOIZKQRINMBJ-VRNBXGKJSA-N 443.553 5.118 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1C#N 752305760 PJRHVLPKDQIREK-UHFFFAOYSA-N 449.536 5.148 30 20 IKED O=C(COc1ccc(C(=O)/C=C/c2cnc(-c3ccncc3)s2)cc1)Nc1ccccc1 753141414 HTBZGKNICIZRSU-ZHACJKMWSA-N 441.512 5.119 30 20 IKED COc1ccc(C2(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)CCC2)cc1OC 755616114 WIOMGBMBBDEIFN-IBGZPJMESA-N 432.545 5.434 30 20 IKED C#CC[C@H](NC(=O)Nc1ccc(Oc2ccccc2S(=O)(=O)CC)cc1)c1ccccc1 757894977 PDXZJXGQOBULQR-QFIPXVFZSA-N 448.544 5.159 30 20 IKED CCN(C(=O)NCc1ccc(OCC#N)cc1)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 760165980 NFRUCGIXMGXWPV-HXUWFJFHSA-N 443.547 5.557 30 20 IKED C[C@H](Sc1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 761872917 UAMCHXLJXZFQRY-UQBPGWFLSA-N 443.572 6.017 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(Cc2ccccc2)[C@H](C)C(C)(C)C)ccc1OC 769507609 DJEPTLIFLZOQLA-DENIHFKCSA-N 437.584 5.523 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H]2CCCOc3ccc(Br)cc32)ccc1OC 772978116 DPNYUWPKDKZVNG-HKUYNNGSSA-N 445.357 5.142 30 20 IKED Fc1cc(Cl)cc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)c1 776723639 CXPAOMUQLXGBTK-UHFFFAOYSA-N 431.707 5.127 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2ccc(C3SCCS3)cc2)n1 782525696 YRSFYWLTGYWASQ-UHFFFAOYSA-N 426.954 5.128 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 787328025 WUZYKVFBXAFUQC-XZOQPEGZSA-N 446.551 5.269 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1 791863913 JAIXKLHXRCFZFZ-WYMLVPIESA-N 446.547 5.497 30 20 IKED Fc1c(F)c(F)c(CN[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c(F)c1F 792930287 COBUFWMZBKIMBS-IBGZPJMESA-N 439.346 5.658 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 794497705 OBLZCZIVBJRSPJ-NSHDSACASA-N 440.308 5.313 30 20 IKED CC(=NOCc1cnc2ccccc2c1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 799175052 RMHLWTVFKQRTBC-UHFFFAOYSA-N 425.414 5.084 30 20 IKED C=C(C)Cn1c(Cc2ccc3ccccc3c2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 802562889 BSMKZTUSBXXHRJ-SANMLTNESA-N 449.558 5.048 30 20 IKED Cc1cc(=O)oc2cc(N(C)C(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)ccc12 805356331 DNGWGCLJQYLJMG-UHFFFAOYSA-N 444.874 5.695 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)s1 810549912 RDLFQUJPMYMHKV-CQSZACIVSA-N 440.550 5.128 30 20 IKED N#CCc1ccccc1C(=O)O[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 849211572 YQUHXTYIZNKGKM-NRFANRHFSA-N 438.405 5.308 30 20 IKED COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 879827760 VVSVKKLHURLLHU-UHFFFAOYSA-N 445.862 5.465 30 20 IKED C=CCn1cc(-c2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)nn1 904670515 OEUKIJVQTNHWKA-UHFFFAOYSA-N 448.792 5.041 30 20 IKED N#Cc1ccc(-c2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)o1 904670711 QAWDLDDBITTYEH-UHFFFAOYSA-N 432.745 5.728 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@@H]1c1noc(-c2ccc(OCc3ccccc3C#N)cc2)n1 904697538 DPDYXCCVIWEOLB-OAQYLSRUSA-N 446.507 5.259 30 20 IKED C=CCN(Cc1cccs1)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 914439775 PNAVJHXQPNXKGM-LGMDPLHJSA-N 448.660 5.006 30 20 IKED COc1ccc(-c2csc3ncnc(NN=C(C)c4ccc(OC)c(OC)c4)c23)cc1 916357245 GWSCWHWDOZXQMD-UHFFFAOYSA-N 434.521 5.220 30 20 IKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)[C@@H](C#N)c1ccc2ccccc2n1 916848093 ASZXTLXRTVKAQQ-IBGZPJMESA-N 449.341 5.763 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C 916925797 TVEACIWEXGAKIM-PGRDOPGGSA-N 429.520 5.074 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(OC3CCCC3)c(OC)c2)cc1 916948654 IXFKXFIBQUEYFG-HTAPYJJXSA-N 434.536 5.491 30 20 IKED C=CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC 916972285 MJTQYPRIEMRMMO-WUTDNEBXSA-N 430.529 5.582 30 20 IKED N#Cc1c(Cl)nsc1NCc1ccc(NC(=O)CCCOc2ccccc2)cc1 917074423 MIHXLJJSTNHUSP-UHFFFAOYSA-N 426.929 5.078 30 20 IKED N#Cc1ccccc1/C=C\C(=O)N(CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1 918625521 ZMZVIPHFMAKUHA-KAMYIIQDSA-N 447.897 5.031 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CCC[C@H]2c2cccc3ccccc23)c1=S 919950529 KGGADEGZYJBFDH-QHCPKHFHSA-N 427.577 5.610 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(-n4nc(C)cc4C)cc3)n2)cc1 920138373 FXQNREQWJBOOQP-QFIPXVFZSA-N 442.544 5.040 30 20 IKED COc1ccc2c(c1)CCC[C@H]2CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920140827 BSGOEBJZZRFMHQ-UGKGYDQZSA-N 427.529 5.377 30 20 IKED CNC(=O)C[C@@H]1SC(=Nc2cccc(C(C)C)c2)N([C@H](C)c2ccc(C)s2)C1=O 920168878 PCGSGCJNAIXSSL-BEFAXECRSA-N 429.611 5.009 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCCCOc1cc(C)ccc1C 920323472 BVCGXCZMWGDQED-GOSISDBHSA-N 442.943 5.171 30 20 IKED Cc1ccc(OCc2nc(C=Nn3c(S)nnc3-c3ccccc3Cl)cs2)cc1 920365413 WHQNXAGTEOQVRG-UHFFFAOYSA-N 441.969 5.113 30 20 IKED Cc1cc(-c2cc(C(=O)OC[C@H](C#N)Cc3ccc(F)cc3)c3c(C)noc3n2)c(C)o1 920880069 VWTZBCFLOSSWRO-KRWDZBQOSA-N 433.439 5.086 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCc3ccc(F)nc3)cc2)CCC1 1786815380 FIPJXKYOCBQSKF-JOCHJYFZSA-N 435.543 5.056 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCC4CCCC4)CCC3)cc2)cc1 1790706284 WZBNFSBVOPAQNF-UHFFFAOYSA-N 429.564 5.471 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C)cc3Cl)cc2)CCC1 1792112136 XOZHKAGRSYBNJW-QGZVFWFLSA-N 441.959 5.197 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3ccc(Cl)cc3[nH]1)C2 1792568404 MJRAXRWJMMBLIW-REPLKXPHSA-N 427.976 5.066 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3nscc23)[nH]n1 1819309309 RQYUJOPJMJJZPM-HRAATJIYSA-N 449.580 5.094 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)c(F)c2)n[nH]1 1821041159 IXCPQYPCNVAIEO-OXQOHEQNSA-N 444.938 5.277 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC)cc2C)CC1 1824143289 KMXABRBEOZBSDN-VWLOTQADSA-N 438.612 5.005 30 20 IKED C=CCOCCCC(=O)N[C@@H]1CCc2nc(NC(=O)CCCCCC(C)(C)C)sc2C1 1825498855 RMCGXHIHPZRODK-GOSISDBHSA-N 449.661 5.035 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3sc(C)nc3c2)CC1 1831369993 JGSJPJFIHTZWHX-JTSKRJEESA-N 439.625 5.050 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)nc2cc(Cl)ccc2c1=O 9085726 VKVPGMRRSIEURW-INIZCTEOSA-N 441.984 5.280 30 20 IKED Cc1cc(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2ccc(N(C)C)cc2)c(C)n1C 11263266 RUBVUEHHJRHVTF-UHFFFAOYSA-O 449.644 5.170 30 20 IKED C[C@H](OC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)Nc1cc(F)ccc1F 15806208 ITFXZCJADJFJII-AWEZNQCLSA-N 438.455 5.172 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)n(C2CCCCC2)c1C 16220501 RKLMIMFFIOAAJO-UHFFFAOYSA-N 446.551 5.078 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2)nc2sc(-c3ccccc3)cc2c1=O 20788687 YQQFBITVFLANIM-UHFFFAOYSA-N 433.558 5.042 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)=C(/S)Nc1cccc(C)c1 22729195 IIYFPNLNPPFEFE-UHFFFAOYSA-O 434.541 5.112 30 20 IKED C[C@@H](Sc1nccn1-c1ccc(Cl)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 24320550 VKJQFOQGIYKXLB-OAHLLOKOSA-N 428.920 5.092 30 20 IKED C=CCN(C(=O)c1sc2nc(C(F)(F)F)ccc2c1C)c1nc2c(s1)CCCC2 29777681 ZXFHFPPNYCDXBE-UHFFFAOYSA-N 437.512 5.792 30 20 IKED N#CCCN(Cc1cccnc1)C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 72053595 FUVZZHDBXATMEM-UHFFFAOYSA-N 425.410 5.449 30 20 IKED Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3cccc(OCC#N)c3)[C@@H]2c2cccs2)cc1 107966441 UBCXRNSGUQIWEF-XUZZJYLKSA-N 445.544 5.082 30 20 IKED C=CCn1c(-c2sc(NC(=O)c3sccc3-c3ccccc3)nc2C)n[nH]c1=S 111200306 GDZNGVAVRJEMTK-UHFFFAOYSA-N 439.591 5.539 30 20 IKED Cc1nnc(SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)c(C#N)c1C 218941127 XWQBQKNTWZCKSA-UHFFFAOYSA-N 438.965 5.540 30 20 IKED Cc1c(NC(=O)c2sc3ccc(C#N)cc3c2C)cccc1-c1nnc2n1CCCCC2 432019698 QFIXWSQSHJNMHI-UHFFFAOYSA-N 441.560 5.627 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1SCc1nc(C2CCCCC2)cs1 435698037 ZWAFFEBRWMKBOC-UHFFFAOYSA-N 431.675 5.289 30 20 IKED CC(C)n1ncc2c(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc(-c3ccco3)nc21 436351210 BZLNYUVWNYBRPQ-REWPJTCUSA-N 439.519 5.184 30 20 IKED COc1cc(-c2nc(CSc3nc(-c4ccccc4)ccc3C#N)cs2)ccc1O 436640762 RDCCQBUJPNJAIQ-UHFFFAOYSA-N 431.542 5.750 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C1CC1)[C@H](C)c1cccc(C(F)(F)F)c1 438039671 FZGSKICBCQQXIX-HZPDHXFCSA-N 447.526 6.857 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1CN(C)Cc1ccco1 438074314 OJPLFYNXUDMEJA-LJQANCHMSA-N 448.592 5.628 30 20 IKED Cc1nn(C)c(C)c1NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 438519405 RJIZPGMXDCDEEF-UHFFFAOYSA-N 429.402 5.364 30 20 IKED CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438661077 MTIVXEJICZNRAP-UHFFFAOYSA-N 441.409 5.755 30 20 IKED CCn1ncc(NC(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c1C(F)(F)F 439937589 YMEGWUOKPHSHNS-LLVKDONJSA-N 432.727 5.139 30 20 IKED CCN(C[C@H]1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)C1)CC(F)(F)F 444655198 SBDJJIVWMDZKSZ-OAQYLSRUSA-N 429.530 5.092 30 20 IKED N#Cc1ccc(SCc2nc(CC(=O)Nc3ccccc3Oc3ccccc3)no2)cc1 445321331 RLDKZDMXVFBQHZ-UHFFFAOYSA-N 442.500 5.207 30 20 IKED COc1cc(OC)c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1F 446213512 CETZASSGWKMRTJ-UHFFFAOYSA-N 426.831 5.413 30 20 IKED C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)[C@@H]1c1cccc(F)c1 461836579 VDTGVSPABVZVDL-QFWMQHCXSA-N 445.542 5.112 30 20 IKED CSc1cccc([C@H](NCC(=O)Nc2ccc(CC#N)cc2)c2ccc(F)c(F)c2)c1 462177514 FZDILYLRGHCECJ-DEOSSOPVSA-N 437.515 5.070 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1nc(O)c2cc(-c3ccccc3)sc2n1 464825871 BXQABBGNOOIHTB-RTWAWAEBSA-N 426.545 5.336 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Nc2cccc(OCc3cccnc3)c2)c1 467427390 FWVQWJVNAMKJMB-NRFANRHFSA-N 428.536 5.025 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(=Cc2ccc(F)c(F)c2)CC1 469447023 WVNFMKYAVCCDOS-QGZVFWFLSA-N 441.547 5.477 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(c2ncnc3sc(C)cc23)CC1 475586477 UENDLVVGOFICMT-UHFFFAOYSA-N 435.597 5.206 30 20 IKED N#CC[C@@H](CC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 475646483 FIIAYNVIYACQTE-UWJYYQICSA-N 444.362 5.401 30 20 IKED CN(C(=O)c1ccc(C(C)(C)C#N)cc1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 476052090 SKQZKTHRTYAEPV-UHFFFAOYSA-N 439.437 5.970 30 20 IKED CCc1nc2c(s1)[C@@H](N(C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N)CCC2 478040159 KISOYGUVZKQGTE-YJBOKZPZSA-N 428.627 5.048 30 20 IKED CN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 482348763 GNUSTAWLWXNVIV-HNNXBMFYSA-N 426.307 5.429 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](c4cccc(O)c4)C3)cc2Cl)cc1 483007116 NZRVJAFHVNSVRY-QHCPKHFHSA-N 449.894 5.315 30 20 IKED COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)N[C@@H](C)CC#N)cc1OC 484773341 YNEBRQFYKVPZKC-BYFYWULKSA-N 441.531 5.161 30 20 IKED CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 486927205 RXMHFWRMYZVQRM-UHFFFAOYSA-N 440.931 5.026 30 20 IKED N#CCCC[C@@H](NC(=O)c1cc(Br)sc1Br)c1ccccc1 487419339 JWEVOIUCXDZGIQ-CYBMUJFWSA-N 442.176 5.438 30 20 IKED C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H]1OCCc2sccc21 494940729 UBSPNVIRZUZTAM-MZNJEOGPSA-N 447.560 5.217 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 499217417 JIBXURSZTBSUCB-ZDUSSCGKSA-N 445.372 5.309 30 20 IKED CC(C)(C(=O)NCCSCc1ccccc1C#N)c1csc(-c2cccs2)n1 499953241 KYAYPHJTFAFUFO-UHFFFAOYSA-N 427.620 5.070 30 20 IKED CC(C)c1nc([C@@H]2CCCCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)no1 500781079 XGPDFALETFNCET-NRFANRHFSA-N 445.523 6.006 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Nc2cccc(OCCCC#N)c2)cc1 502475943 HRJHCCBBBFKVLO-UHFFFAOYSA-N 442.475 5.686 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 504448259 IKUDCHWZXFNPOL-MHZLTWQESA-N 439.559 5.594 30 20 IKED N#C[C@@H](NC(=O)CSCc1cc(-c2cccs2)on1)c1cccc(Cl)c1Cl 505324271 ARNUPZJNRVTZFW-CQSZACIVSA-N 438.361 5.324 30 20 IKED N#C[C@@H](NC(=O)CSCc1coc(-c2ccccc2)n1)c1cccc(Cl)c1Cl 505332546 WZEXQNGCQJPCIY-QGZVFWFLSA-N 432.332 5.263 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCCOc3ccccc32)cc1 506315313 PRJPEMBYRBVKDN-DEOSSOPVSA-N 427.504 5.367 30 20 IKED C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F 506623598 KVHNTJUDYLFVKT-LLVKDONJSA-N 434.892 5.411 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@H]3/C=C\c3ccccc3)s2)cc1 506871941 DZAMITILPUOPPP-CBUFDYBVSA-N 447.589 5.412 30 20 IKED Cn1c(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)nnc1N1CCC(C)(C#N)CC1 508966881 IACUWUHKHMNEDA-UHFFFAOYSA-N 442.954 5.481 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C1CC1)[C@@H](C)c1ccc2ccccc2c1 509911753 QAOGIZZFONEAJG-SFHVURJKSA-N 437.547 5.056 30 20 IKED C=CCNC(=O)Nc1ccc(N[C@H](C)c2ncc(-c3ccc(Cl)cc3Cl)o2)cc1 512326983 WHPVVNNRCLAKBW-CYBMUJFWSA-N 431.323 6.129 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)[C@H]1CCCN(C2CCC2)C1 512769577 WRQOHZKGEBRAPF-OFNKIYASSA-N 446.595 5.220 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2ccc(N)cc2Cl)n(Cc2ccc(F)cc2)c1C 513297290 PCFUEZYBZSUDSS-UHFFFAOYSA-N 442.947 5.130 30 20 IKED CC(C)N(Cc1ccc(Br)cc1)C(=O)Nc1ccccc1S[C@@H](C)CC#N 517531694 CZJITIMTKPMFPG-INIZCTEOSA-N 446.414 6.286 30 20 IKED CCOc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c(C(F)(F)F)c1 517656161 UGBJTCSTSGCDDK-UHFFFAOYSA-N 427.382 5.415 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1 518016326 KQPFWHSHIQNWEW-ZEQRLZLVSA-N 434.442 5.279 30 20 IKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1cccc(OC(F)F)c1 518048273 XHCVRVZNOAZJRL-INIZCTEOSA-N 438.499 5.943 30 20 IKED CCCC(=O)Nc1cccc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 519199287 WKUJYOHGTSJSBP-UHFFFAOYSA-N 428.492 5.411 30 20 IKED C=C(C)CN1CCC(NC(=O)N(Cc2ccc(-c3ccc(F)cc3)s2)C(C)C)CC1 519285717 IHYOUDCHYOSWTB-UHFFFAOYSA-N 429.605 5.515 30 20 IKED CN(C[C@@H]1OCCc2ccccc21)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 519654909 REBRPMBLRIJUGE-DEOSSOPVSA-N 432.907 5.390 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 520942848 QJQFJEYALDRCPG-XJKSGUPXSA-N 445.997 5.026 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)c2)c1 523717081 RRAPAQNJIXWQJV-JOCHJYFZSA-N 436.298 5.439 30 20 IKED N#C[C@H](C(=O)c1csc(-c2c(F)cccc2F)n1)c1nc2ccccc2n1C(F)F 523958741 DJTFZKBYUDVJPC-SNVBAGLBSA-N 430.386 5.323 30 20 IKED CCO[C@H](C)c1nc(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cs1 524212199 JPQWYVOPHNSJEI-QRWLVFNGSA-N 439.968 5.731 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)o2)cc1 524384913 ZJZURNXOGIEOSP-UHFFFAOYSA-N 434.455 5.526 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2cc(C(F)(F)F)cnc2O)cc1Cl 534176824 XUJLJIZBQOJXAI-UHFFFAOYSA-N 433.773 5.376 30 20 IKED CC[C@H](NCc1ccc(OCc2cccc(C#N)c2)c(OC)c1)c1ccc2c(c1)OCCO2 539280177 WGZSSUYGCBTBIK-QHCPKHFHSA-N 444.531 5.158 30 20 IKED CC(C)C[C@@H]1C[C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCO1 539718411 TWHRSMUHBTZTPD-VWPQPMDRSA-N 425.960 5.711 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(F)cc3OCC(F)F)c2)c1 540198597 ICPBUZAFWQGPJX-UHFFFAOYSA-N 426.394 5.173 30 20 IKED C[C@H](NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)c1ccc(-c2cccc(C#N)c2)cc1 541998586 BLPLAQCIPWVPFL-JKSUJKDBSA-N 427.529 5.149 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)c1nc(-c2cccc(NC(=O)c3ccccc3F)c2)no1 544943711 DUBZZPHRKHJUBO-OAHLLOKOSA-N 428.423 5.140 30 20 IKED CCOc1cc(C#N)cc(Br)c1OCc1nc(C[C@H](C)c2ccccc2)no1 545756746 QNGHEMVVYDDLOR-AWEZNQCLSA-N 442.313 5.028 30 20 IKED CC(=O)N(c1nc(CN[C@@H](C)c2ccc(C#N)cc2)cs1)c1c(C)cc(C)cc1Cl 548936655 WZJOMCJQUGBUDU-INIZCTEOSA-N 438.984 5.820 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCOc2ccc(Br)cc2C1 554907740 GEOKPQYGTCIOPE-CQSZACIVSA-N 446.370 5.270 30 20 IKED CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1Cc1ccccc1 555178864 FVFAJYTUJYDHTC-UIOOFZCWSA-N 449.558 5.080 30 20 IKED N#CC1(NC(=O)c2ccc(-c3cccc4cccnc34)cc2)CCN(Cc2ccccc2)CC1 556975659 DRYGUXREUXVJRV-UHFFFAOYSA-N 446.554 5.190 30 20 IKED COCc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc(C(=O)OC)c1 557814349 KZXHWBGJTAYTFF-UHFFFAOYSA-N 446.528 5.036 30 20 IKED C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 558019800 ZIQLFBQPONZMOF-INIZCTEOSA-N 439.437 5.468 30 20 IKED C=CCn1c([C@@H]2COCCO2)nnc1N(Cc1ccc(-c2ccccc2C)s1)C(C)C 563915675 LJWBYWFNBOYKSD-NRFANRHFSA-N 438.597 5.004 30 20 IKED COc1ccc(-c2nc3c(s2)[C@H](NCc2ccc(C#N)cc2C(F)(F)F)CCC3)cc1 572417908 POYISWRDFFWEPX-LJQANCHMSA-N 443.494 5.876 30 20 IKED Cc1c(COc2ccccc2)cccc1NC(=O)N1CCC(C#N)(c2ccccn2)CC1 577749436 NWRKEVLULQCGEE-UHFFFAOYSA-N 426.520 5.058 30 20 IKED CCc1ccc([C@@H](C#N)N(C)C(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)cc1 583179420 WIQYJBUWWOPRCS-LJQANCHMSA-N 435.549 5.035 30 20 IKED COCCC[C@@H](c1ccc(Cl)cc1)c1noc([C@H]2CCCN2c2ccc(C#N)cc2)n1 586757806 IKJPFFGMNYACPH-FCHUYYIVSA-N 436.943 5.495 30 20 IKED N#CCc1ccc(NC(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 603650913 MZKVHKKJDQCILK-OAQYLSRUSA-N 428.923 5.841 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Nc1cccc(OCc2cccc(C#N)c2)c1 604044199 AUXPWKAHASTHFD-KRWDZBQOSA-N 449.938 5.547 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc2c(c1)CC(=O)N2 604089836 NXLGMTCWRXLLGO-AWEZNQCLSA-N 446.894 5.381 30 20 IKED COc1ccc(COCCCNC(=O)c2ccccc2Sc2ccccc2C#N)cc1 608945367 IZTDMBAENKDEER-UHFFFAOYSA-N 432.545 5.055 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)c2cc3ccccc3n2CC#N)c(C(F)(F)F)c1 609216126 BMIPITPPTFPWOU-CQSZACIVSA-N 431.483 6.327 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)COc1cccc2ccccc12 609378627 UNKLFUSEQLGZGN-UHFFFAOYSA-N 430.451 5.882 30 20 IKED CCCc1nc(C(=O)Nc2ccccc2S[C@H](C)CC#N)nn1-c1ccccc1Cl 609427788 LKYMEDJMMPFAAN-OAHLLOKOSA-N 439.972 5.520 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@H](c3ccc(Cl)cc3)c3cccs3)cc2)nc1 609502355 XCFRIUCJNCJUKH-HSZRJFAPSA-N 445.931 5.980 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)N[C@@H](C#N)c2ccccc2Br)cc1 609592312 XKELIJURSWUIDH-SFHVURJKSA-N 440.366 5.113 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)cc1 610069746 SSXHEDBGZFMKLC-QFIPXVFZSA-N 430.529 5.271 30 20 IKED N#Cc1ccc(Oc2ccc(-c3nc(Cc4nc5cc(F)ccc5s4)no3)cc2)nc1 612932063 MRWVPALBMIXVIW-UHFFFAOYSA-N 429.436 5.135 30 20 IKED Cn1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c2ccccc21 613347405 ZWWGVOSWDYFCOJ-HNNXBMFYSA-N 426.328 6.099 30 20 IKED N#C[C@@H](C(=O)c1cnn2c(-c3ccccc3)ccnc12)c1nc2cc(Cl)ccc2s1 613407089 IIIFEICYLLRBEM-HNNXBMFYSA-N 429.892 5.149 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3Cc4cccc(Br)c4C3)cn2)cc1 613761326 LGLSZYZVVGGDMD-UHFFFAOYSA-N 435.281 5.056 30 20 IKED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1[C@H](C)c1ccccc1 614097068 WMZJMDBJLHPSBH-WOJBJXKFSA-N 434.609 5.460 30 20 IKED CC(C)(C)c1nsc(Oc2ccc(NC(=O)N3CCC[C@@](C)(C#N)C3)cc2Cl)n1 614945424 XALBUCZKMPAZHQ-FQEVSTJZSA-N 433.965 5.439 30 20 IKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(Cc1ccc(F)cc1)C1CCOCC1 622556076 RILZFGSVYBCNCI-UHFFFAOYSA-N 449.366 5.685 30 20 IKED N#C[C@@H](C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1nc2ccccc2n1C(F)F 642282357 HJAMPDXGVVIVKR-SFHVURJKSA-N 445.429 5.565 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1CCSc2c(F)cccc21 642949336 IIAAAXWAFHDEMN-YAMSLAJTSA-N 444.416 5.571 30 20 IKED CN(C)c1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2ccccc2n1 681352428 PHVHLFXCPKZCNV-OAHLLOKOSA-N 440.450 5.419 30 20 IKED N#Cc1cccc(COc2ccc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)cc2Cl)c1 727978622 JYPPRQHNJJKDJW-UHFFFAOYSA-N 438.896 5.508 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3C(F)(F)F)o2)cc1 728031759 BDZQSZDKFZWCSX-OAQYLSRUSA-N 440.421 5.726 30 20 IKED C#Cc1cccc(N(Cc2ccccc2)C(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)c1 728248261 IKHCHPKATYNTOQ-UHFFFAOYSA-N 436.559 5.041 30 20 IKED CC[C@H](C)Oc1ccccc1/C=C\C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 729889029 BLSNHRMTTDFXMO-HMRVGZCKSA-N 447.560 5.343 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c23)CC1 730109701 VNAGOWIZVBOXPR-CYBMUJFWSA-N 432.927 5.029 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(OCc2ccccc2)cc1)[n+]1ccccc1CC 730439884 FYMTZYAHWQVFLS-UHFFFAOYSA-O 445.608 5.492 30 20 IKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1 730490519 YNMCVKGNHXQQPJ-QGZVFWFLSA-N 447.532 5.148 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)[C@@H](Oc2cccc(C(C)C)c2)c2ccccc2)n1 730692495 YYPSJXSMCCHGDB-OFNKIYASSA-N 448.544 5.440 30 20 IKED CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 731459712 JKAFNBSCLOHIPB-NRFANRHFSA-N 438.936 5.041 30 20 IKED COc1ccc2cc(C(C)=NNc3cc(C(F)(F)F)nc(-c4ccccn4)n3)ccc2c1 733081034 KMOYWMPVXJCWAY-UHFFFAOYSA-N 437.425 5.555 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)c1 733847103 XAFQVCPAXPERNW-BKMJKUGQSA-N 439.515 5.703 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)c(Cl)c1 740774898 LLKHJNVPVWOEQN-UHFFFAOYSA-N 431.945 5.751 30 20 IKED Cc1ccc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1NC(=O)OC(C)(C)C 742696390 WHYIOTYKIVXXQX-UHFFFAOYSA-N 447.560 5.872 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C[C@H](Cc1ccccc1)c1ccccc1 744028346 GVOCXKBTPJLMES-UIOOFZCWSA-N 438.571 5.875 30 20 IKED C=CCN(Cc1cccc(C#N)c1)Cn1nc(SCc2ccc(F)cc2)sc1=S 745161868 IFLGLUXOOQSTLN-UHFFFAOYSA-N 442.610 5.623 30 20 IKED Cc1ccc(-c2noc([C@@H](C)ON=Cc3c(C)nn(Cc4ccccc4)c3C)n2)cc1F 748099992 AHOFEBSDUFUQRU-GOSISDBHSA-N 433.487 5.157 30 20 IKED CC(Cc1nc2ccccc2s1)=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1 749163858 AHTGJULMMGNRBV-UHFFFAOYSA-N 428.443 5.198 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1 755049464 RHSPSJCDBSELRF-QGZVFWFLSA-N 425.366 5.521 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(-c3ccccc3)o2)cs1 761805044 WPDHBCGCNKTIMJ-XFXZXTDPSA-N 432.476 6.123 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2cc3c(s2)CCCC3)cs1)c1ccc(F)cc1F 764432150 JXKCHEDSNYTQLJ-VQHVLOKHSA-N 444.528 5.942 30 20 IKED CC(C)c1ccc(CC2CCN(CC3=CC(=O)n4c(nc5ccccc54)[C@@H]3C#N)CC2)cc1 765057502 VMTZZONNYJBNSK-XMMPIXPASA-N 438.575 5.302 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3cccc(C(F)(F)F)c3)n2)cc1 766843418 IXOLUXIKFOTOSQ-SFHVURJKSA-N 430.451 5.647 30 20 IKED CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2ccccc2Sc2ccccc2C#N)cc1 767336726 TZLMKQGYPQEPKE-INIZCTEOSA-N 444.512 5.096 30 20 IKED N#CC(CCOC(=O)c1ccc(OCC(F)(F)F)cn1)(c1ccccc1)c1ccccc1 768918198 ZKXMITIJMMBTAE-UHFFFAOYSA-N 440.421 5.079 30 20 IKED Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)c1ccccc1Oc1ccccc1C#N 773617895 CODVHALBROJRGY-SANMLTNESA-N 435.483 5.388 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3cccc4ccccc34)n2)cc1 774065810 TYUPFNGFWSHBKH-IERDGZPVSA-N 428.513 5.616 30 20 IKED C[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1cc(F)c(Cl)cc1Cl 774809993 OTNMUFZBCAQCQS-BXUZGUMPSA-N 429.282 5.020 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 780152883 UISFCPJHELZXKQ-SYTKJHMZSA-N 428.332 5.667 30 20 IKED CC(C)c1cnc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1 783013669 MGQGNZFZPSPQLS-CQSZACIVSA-N 434.302 6.229 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(CCCC#N)C2=O)c1 784127691 VPERHPOMSBMQBK-QFIPXVFZSA-N 448.592 5.184 30 20 IKED N#C[C@H](C(=O)Cc1cc(Cl)cc2c1OCC2)c1nc(-c2c(F)cccc2F)cs1 784502043 PQFIGQDBOOARBK-CQSZACIVSA-N 430.863 5.096 30 20 IKED C[C@H](Cn1ncc2ccccc21)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 793121809 MCWMMMSUISDVNV-IUODEOHRSA-N 428.439 5.177 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2nc(Cc3ccc(Br)cc3)cs2)c1 795361853 ZKHZURZKDGWNHQ-UHFFFAOYSA-N 432.730 5.274 30 20 IKED Cc1nnc(-c2cccc(C#N)c2)n1CN(Cc1ccccc1C(F)(F)F)CC1CC1 795646320 BATRKUMOKZABQM-UHFFFAOYSA-N 425.458 5.014 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)ccc21 797568916 XXCCGGODDQHTDQ-KRWDZBQOSA-N 439.581 5.618 30 20 IKED CC(C)(C)OC(=O)N1Cc2ccc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)cc2C1 797570803 JYZPCIMTJBWBKI-QGZVFWFLSA-N 425.554 5.181 30 20 IKED CC(C)(C)OC(=O)NCc1nc(CSCc2ccc(-c3ccccc3C#N)cc2)no1 799990151 IGPFRGJYBVHTLL-UHFFFAOYSA-N 436.537 5.066 30 20 IKED Cc1cc(-c2cc(C(=O)OCCCC3(C#N)CCOCC3)c3c(C)noc3n2)c(C)s1 800126067 KBEVSSSEDNNGJG-UHFFFAOYSA-N 439.537 5.134 30 20 IKED O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1cccnc1SC(F)(F)F 800356276 RIQGPWFITIQUEU-UHFFFAOYSA-N 428.329 5.416 30 20 IKED C#C[C@H](NC(=O)c1c(Br)cccc1Br)c1ccc(Cl)cc1F 804415335 FMNSAOBAXYZUJY-AWEZNQCLSA-N 445.513 5.108 30 20 IKED Cc1ccccc1[C@@H](O)C1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 807071188 ZWSVSHKNVZKESZ-MHZLTWQESA-N 439.559 5.189 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cnc(Cl)c(F)c3)s2)c(C(F)(F)F)c1 808258212 ZUAIVXIPIRBICW-UHFFFAOYSA-N 440.809 5.064 30 20 IKED N#Cc1cc(NC(=O)c2ccc(-c3cccc4cccnc34)cc2)c(Cl)c([N+](=O)[O-])c1 808608077 ZKGNNTBYVSSWSR-UHFFFAOYSA-N 428.835 5.587 30 20 IKED N#C[C@@H](C(=O)C1(c2ccc(Br)cc2)CCCC1)c1cc(C(F)(F)F)ccn1 813211780 QASPICZAERYGND-MRXNPFEDSA-N 437.259 5.551 30 20 IKED CC(C)(C)OC(=O)N1CCc2c(NC(=O)N[C@@H](CCCC#N)c3ccccc3)cccc21 814662791 ASZGMFBRSIEAQI-FQEVSTJZSA-N 434.540 5.541 30 20 IKED CC(=NNc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)c1cnn(-c2ccccc2)c1C 818233322 IFKZAIGFFAHFAJ-UHFFFAOYSA-N 444.560 5.158 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)cc1 915086675 MFDHIRKHUWBCJQ-HSZRJFAPSA-N 431.923 5.144 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(N[C@H](C(=O)NCc2ccccc2)c2ccccc2)cc1 915223669 UQMQCTKOGATBDY-IZLXSDGUSA-N 431.539 5.812 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1 915352420 IGKINDMYDYRSSS-FGZHOGPDSA-N 433.964 6.354 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1 916897615 MTQQKEUWNVCXLY-IBGZPJMESA-N 449.850 5.310 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc2c(c1)-c1ccccc1C2 916903600 UVAHEKPPTDUOHV-HXUWFJFHSA-N 430.891 5.189 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc2cc(Br)ccc2o1 916905735 DZKQRULDAVKTJS-KRWDZBQOSA-N 439.309 5.281 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1OCc1ccccc1 917045051 WLKKWSUPEAWHOU-SFHVURJKSA-N 448.931 6.027 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc(-c4cccnc4)nc4ccccc34)cn2)cc1 918586788 ITWLMQAWJKEIAW-UHFFFAOYSA-N 443.466 5.608 30 20 IKED N#C[C@H](C(=O)Cn1ccc2ccc(Cl)cc21)c1nc2cc(C(F)(F)F)ccc2s1 920113321 VEPKMACZAMGAKS-CQSZACIVSA-N 433.842 5.800 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)c4ccccc34)n2)cc1 920140098 BOVQKLKQQXOEMD-LJQANCHMSA-N 443.915 5.744 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@H]3CCCc4cc(OC)ccc43)n2)cc1 920144407 PSVLWGGWLBIUFS-XMSQKQJNSA-N 432.545 5.514 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)CCC1 1785788397 YHHUHLIBMYXXFL-CQSZACIVSA-N 432.351 5.348 30 20 IKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccsc4)CCC3)cc2)cc1 1785796298 WYILNSSNSRVRGL-UHFFFAOYSA-N 429.545 5.000 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cncc4cnccc34)CCC2)cc1 1786102956 IBFGKGAEZWUAOC-UHFFFAOYSA-N 440.547 5.146 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](F)c4ccccc4)cc3)CCC2)cc1 1786612443 DKFUVXJCLRHUKL-QHCPKHFHSA-N 427.479 5.017 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3nccc4[nH]ccc34)CCC2)cc1 1789626311 SMBBWXQGWDBGMP-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C[C@H](Sc1cccs1)C(=O)NC1(c2ccc(NC(=O)C3(C#N)CCC3)cc2)CCC1 1792231045 CUOHLOOJWAPWAN-INIZCTEOSA-N 439.606 5.057 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc(OC)ccc3Cl)CC2)C1 1804868828 RDUFCPYGRMZTAW-UHFFFAOYSA-N 447.019 5.186 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)C1 1804868851 SFPXKHHXCZKTBK-OAQYLSRUSA-N 435.612 5.151 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2C2CC2)[C@@H]1c1cccnc1 1810177377 GDIMEHOLMSXXBH-PPJWLVRDSA-N 443.591 5.047 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C(C)=C/c2cccs2)n[nH]1 1814411248 SKYRQRZYEGRKJJ-DFHALEPISA-N 438.597 5.335 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](c2ccccc2)C(C)C)n[nH]1 1814932890 HGSAEOQFCPENHI-PZJWPPBQSA-N 444.526 5.053 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(F)c2)[nH]n1 1819309052 KXDHEWNJRNSLLS-UZLBHIALSA-N 444.938 5.277 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(OCC)c2)[nH]n1 1819555757 ZTYDYVOPENFXGT-NRFANRHFSA-N 438.572 5.107 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C23CCC(CC2)CC3)CC1 1824145408 YRDFEXDAQDCDQO-BMMPOPSUSA-N 426.645 5.345 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](CCC)n2cccc2)CC1 1827630156 SVHJMTBZLFKEHU-DSITVLBTSA-N 439.644 5.217 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cccc(F)c4s3)CC2)C1 1828151717 HTPFRJACXRNXKU-NRFANRHFSA-N 440.584 5.240 30 20 IKED CC1(C)CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)C1 1828907021 SKJXDMNFWXCLTL-QHCPKHFHSA-N 444.736 5.093 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)Sc2cccs2)CC1 1832030564 QOQVLGZIATUCFE-FPOVZHCZSA-N 446.682 5.042 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(C)c(F)c2)cc1 11082936 NCTLNPOQNOUKKU-UHFFFAOYSA-O 443.514 5.703 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2ccc(C)c(F)c2)c1 14872295 WMRIJJOFGXDACC-UHFFFAOYSA-O 448.370 6.088 30 20 IKED Cc1cccc(C)c1/N=C1/NC(=O)/C(=C/c2c(C)nn(-c3ccc(F)cc3)c2Cl)S1 16440374 GCGAPPCSDINZOS-WQRHYEAKSA-N 440.931 5.482 30 20 IKED C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 108374942 CAJGVVPMTQBHTC-MHECFPHRSA-N 439.515 5.178 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1cnc(-c2ccccc2F)s1 109025212 IDRQMLLBJWCTQV-UHFFFAOYSA-N 447.285 5.201 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(N(C)C)cc2)cs1)c1ccc(F)cc1F 208898741 UQORITJPHPZCHI-XFFZJAGNSA-N 427.476 5.068 30 20 IKED C=CCn1c(=O)c2ccccc2n2c(S[C@H](C)c3ccc(C(F)(F)F)cc3)nnc12 303232084 YVHQATXFMPEZMA-CYBMUJFWSA-N 430.455 5.102 30 20 IKED CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 303592764 PBTNYAWEERBBSB-UHFFFAOYSA-N 435.936 5.715 30 20 IKED O=C(c1ccc(C(F)(F)F)nc1)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 410170337 BBSMSLNOZUYWFK-UHFFFAOYSA-N 436.327 5.100 30 20 IKED N#CCC1(CNC(=O)NCc2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)CC1 430433931 VQTCCWNNCMZITL-UHFFFAOYSA-N 428.492 5.159 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1ncc(Br)s1 432509021 IFAZWWNEEKBNOV-LLVKDONJSA-N 442.429 5.172 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 432573998 NUJVSKSDPBCNSM-WZDNOMKRSA-N 449.554 5.081 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cc(C(F)(F)F)ccn2)cc1 434203879 TUOPYEHMLAGZNK-UHFFFAOYSA-N 428.389 5.345 30 20 IKED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 436337157 WMXCZQKYNIBJMH-BFUOFWGJSA-N 439.409 5.135 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 436351168 IVGPXPSRWFAQLJ-QGPMSJSTSA-N 433.499 6.025 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2c(F)cccc2Br)c1 438421869 PBLQGNYWLQGQMF-UHFFFAOYSA-N 425.257 5.291 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)N[C@@H](CCC#N)c3ccccc3)s2)cc1 438844826 YGROZLCESUYABY-UGKGYDQZSA-N 432.593 6.174 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1ccc2oc(CC(C)(C)C)nc2c1 439596505 PCKWAOSPSFEMOU-KRWDZBQOSA-N 434.540 5.172 30 20 IKED N#CC1CCC(CNC(=O)c2cccnc2SCc2cccc(Br)c2)CC1 441159032 SVTHQLOESWHTQA-UHFFFAOYSA-N 444.398 5.196 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)Nc1cccc(CCC(F)(F)F)c1 442025398 LXEKZJMSUHOBPA-AWEZNQCLSA-N 435.471 5.010 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1 444824339 GGWRMULFXJISBL-HTAPYJJXSA-N 447.457 5.264 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cnc(Cc4ccccc4)s3)c2)c1 446014466 YJQPHLSIWFRQIR-UHFFFAOYSA-N 438.512 5.110 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]cc2-c2ccc(F)cc2)cc1Cl 460722375 TYBJWXIBHPFJCJ-OAQYLSRUSA-N 429.882 6.382 30 20 IKED N#CCCN(CC1CC1)c1nnc(CSc2ccc(Cl)cc2)n1Cc1cccs1 461318574 RWOLYGOJKPULTI-UHFFFAOYSA-N 444.029 5.464 30 20 IKED CC(C)C[C@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)c1cccc(C(F)(F)F)c1 462085977 UVBFZOKJFVBYLU-IBGZPJMESA-N 442.445 5.067 30 20 IKED C=CCN(C(=O)c1cc(Cl)cc2c1OCC2)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 462391725 SHIVGYMZUJOGDQ-UHFFFAOYSA-N 441.896 5.139 30 20 IKED C[C@@H](c1cccc(C#N)c1)c1nc(CC(=O)Nc2nc(-c3ccccc3Cl)cs2)no1 463057970 XQZYNPSXJAGNDC-ZDUSSCGKSA-N 449.923 5.051 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)c1ccc(Br)s1 463102294 CSCOQKKMGVJVEO-CYBMUJFWSA-N 442.338 5.620 30 20 IKED Cc1nc(C(F)(F)F)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 464193847 QPCNCDINNKFNMX-LLVKDONJSA-N 427.860 5.737 30 20 IKED CCO[C@H]1C[C@@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C12CCCC2 466430181 GUHBTNNKYLNLJX-RPWUZVMVSA-N 433.552 5.191 30 20 IKED N#CCCCn1cc(C(=O)NCc2cc(Oc3ccc(F)cc3)ccn2)c2ccccc21 469412683 VWSIAWCITQUASE-UHFFFAOYSA-N 428.467 5.201 30 20 IKED CCCCN(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[C@@H](C)c1ccccc1 470546992 OYMXAGYJXOSBCT-FQEVSTJZSA-N 432.568 5.665 30 20 IKED O=C(Cc1ncccc1F)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 472506748 VSDDQTOQCAQZLL-CQSZACIVSA-N 448.260 5.221 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2nc(C3CCCC3)no2)cc1Cl 474170694 CGBBHBLIMYPHSK-HXUWFJFHSA-N 434.927 5.607 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 475564770 BGETXVHMYWIZEV-GOSISDBHSA-N 436.474 5.119 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)CCC2CCCCC2)CC1 475570940 DKTVPKMNODITGC-UHFFFAOYSA-N 425.617 5.575 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1 475799840 KYQFQTJTZNDHLY-UHFFFAOYSA-N 442.350 5.354 30 20 IKED Cc1sc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C#N)nc1-c1ccc(Cl)cc1 479204998 DNEOJJLAOBBSEG-KBPBESRZSA-N 425.941 5.288 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 485311868 BEDVAXWLWFVUFK-SNVBAGLBSA-N 436.327 5.021 30 20 IKED C=CCSc1ccccc1C(=O)Nc1ccc(OC)c(OCc2cn3ccccc3n2)c1 485756248 JYICBIAWOLCNMF-UHFFFAOYSA-N 445.544 5.452 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Br)cc2)nnc1-c1cccs1 489457263 PYSCXFOGEPOAPO-LBPRGKRZSA-N 449.399 5.074 30 20 IKED C=CCn1c(SCC(=O)c2cc(OC)c(OC)cc2Cl)nnc1-c1ccc(C)cc1 489633537 YKEIMQGRZHBEAC-UHFFFAOYSA-N 443.956 5.085 30 20 IKED C[C@H](CSc1ccc(F)cc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 493472912 MWGXBIBJUXHMKO-CYBMUJFWSA-N 444.582 5.208 30 20 IKED C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)c1ccccc1Sc1ccccc1C#N 499296882 UHRXRYXYWUWETH-KRWDZBQOSA-N 430.529 5.189 30 20 IKED CCN(Cc1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1)C(C)C 508925521 HTZCULNPHKEOMX-UHFFFAOYSA-N 428.536 5.537 30 20 IKED N#C[C@@H](NC(=O)c1cscc1Br)c1ccc(OCc2ccccc2)cc1 511526124 ZFHBKRCSCCTWTC-LJQANCHMSA-N 427.323 5.084 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@@H]1CCc2ccccc2C1 512559296 KIQXYMXLWJPRLN-XMMPIXPASA-N 425.532 5.467 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(F)ccc2Br)cc1 515506266 SNZFMSLBMMRAPQ-UHFFFAOYSA-N 439.284 5.486 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CCCc2nc3ccccc3s2)cc1 515649395 JNLXPSFAXGVQIS-UHFFFAOYSA-N 441.556 5.903 30 20 IKED CN(Cc1ccccc1N(C)C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 515910637 XUPSVVBBICKYGF-UHFFFAOYSA-N 428.536 5.062 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 517527052 IOPBZYHWUZJNFW-DNVCBOLYSA-N 427.957 5.036 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)[C@H](C)c1cc(F)ccc1F 517835709 AXIOGMGHMZIDPW-MRXNPFEDSA-N 449.457 5.095 30 20 IKED COc1ccc(-n2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 518502348 UXGGCGABOCYVIT-SFHVURJKSA-N 434.908 5.148 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCC3(c4ccccc4)CCOCC3)cc2)cc1 519053634 LOCQNUDUCZJVJH-UHFFFAOYSA-N 427.504 5.220 30 20 IKED N#CCCCOc1cccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)c1 519258855 JKISNABYAFEKKF-JOCHJYFZSA-N 439.943 5.009 30 20 IKED C=CCN(C(=O)Nc1ccc2c(c1)Cc1ccccc1-2)[C@H](C)c1cccc(-n2cnnn2)c1 520194149 HVDCZCLPGIUIFC-GOSISDBHSA-N 436.519 5.015 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 522072845 FAZNGLVGWOHMTK-UHFFFAOYSA-N 438.506 5.513 30 20 IKED Cc1cc(-c2ccccc2)ccc1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 522197138 HDFFZFMGIDIVMI-UHFFFAOYSA-N 438.531 5.416 30 20 IKED C[C@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccc(OCc2cccnc2)cc1 523585319 BXSRIVANEGKSOP-NRFANRHFSA-N 448.526 5.338 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(NC(=O)C4CC4)c3)cc2Cl)c1 524389990 KRFRRPXQCRXIQA-UHFFFAOYSA-N 445.906 5.391 30 20 IKED C=CCOc1c(Br)cc(CN[C@H](CC)c2cc(F)ccc2F)cc1OC 525402620 SLLYADHAQCJHEV-GOSISDBHSA-N 426.301 5.542 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N[C@H](c3ccccc3)c3ccc4nc[nH]c4c3)o2)cc1 525626800 ZCVOBDDGYATPFB-AREMUKBSSA-N 448.482 5.126 30 20 IKED CCOc1cc(NC(=O)c2ccc(CC#N)cc2)c(OCC)cc1NC(=O)c1ccccc1 533886568 QUSKOXGZKFGDPQ-UHFFFAOYSA-N 443.503 5.055 30 20 IKED CC(C)Cn1ncc(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1C(F)F 534088613 GFJWFYBCBYYBRR-UHFFFAOYSA-N 425.439 5.785 30 20 IKED N#C[C@@H](C(=O)c1cnc([C@@H]2CCCO2)s1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 534105936 PQNLSBQGKJXTHP-BRFMLTFSSA-N 439.606 5.409 30 20 IKED Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)nn1C1CCCCC1 539541229 KARNHWAKKFAYRO-UHFFFAOYSA-N 436.503 5.974 30 20 IKED Cc1ccccc1C1CCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1 541704472 HADSHWHDEIMFGU-UHFFFAOYSA-N 449.605 5.422 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NCc3ccc(C#N)cc3OC(F)F)s2)cc1 543501838 GMQNLGNYPLUASH-CYBMUJFWSA-N 429.492 5.451 30 20 IKED COc1cc(C#N)ccc1CN[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C 544471552 VFIBRQCKZAUFFM-ZDUSSCGKSA-N 442.382 5.612 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N(Cc3ccccc3Cl)CC3CC3)CC2)c(F)c1 552875998 LROHZUFSNVSBSZ-UHFFFAOYSA-N 425.935 5.006 30 20 IKED Cc1nc(C2(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CCCCC2)no1 554165900 AKBRTEFSDRFNKM-UHFFFAOYSA-N 431.496 5.332 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC(OC2CCC(C)CC2)CC1 555264647 ARGJMCACEKEBGA-UHFFFAOYSA-N 438.616 5.135 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)NC2(c3cccc(Br)c3)CCOCC2)cc1 557426792 XSIIURSAWOYZPU-UHFFFAOYSA-N 442.357 5.078 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N 558404780 HZICSYHJCTVQSR-TZMCWYRMSA-N 442.972 5.531 30 20 IKED CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1 578104103 IYBCPRAFPVUASR-UHFFFAOYSA-N 434.883 5.246 30 20 IKED CC1(C(=O)Nc2ccc(OC(F)F)cc2F)CCN(c2ccc(Cl)cc2C#N)CC1 581743368 RPEBNDJWNVYGRK-UHFFFAOYSA-N 437.849 5.197 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1oc2ccccc2c1COC(C)C 583862879 WLBVPQPQFSVQML-UHFFFAOYSA-N 440.499 6.583 30 20 IKED CC(=O)N[C@H](CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2)c1cccs1 590615029 HMNYMADZCUOTFX-RHSMWYFYSA-N 429.611 5.038 30 20 IKED Cc1noc(C)c1COc1ccccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 602228977 ULOGCIPEJXNOMO-UHFFFAOYSA-N 444.516 5.042 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3cccnc3)n2)cc1Cl 603758955 QCJXDZUAYBUCHS-NRFANRHFSA-N 444.947 5.695 30 20 IKED CN(Cc1csc(Br)c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604460667 QJQPWVAJZPWVCJ-UHFFFAOYSA-N 442.338 5.838 30 20 IKED Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 608870226 DASJGSUYSKTIAD-FQEVSTJZSA-N 447.947 6.202 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 609377775 LYFOBOCSPXWDSL-AWEZNQCLSA-N 425.554 5.686 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)Cc1ccccc1-c1ccccc1 609439591 UECIRPPFBWJKDL-IBGZPJMESA-N 443.572 5.345 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccccc2OCC(F)(F)F)CC1 609553154 YEIQAEAMTLKUBN-UHFFFAOYSA-N 433.430 5.011 30 20 IKED N#Cc1ccc(CSCC(=O)N2CCC[C@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)cc1 609836037 GBJJZXGWZNFOND-NRFANRHFSA-N 436.968 5.199 30 20 IKED Cc1cc(C(=O)NC2CCN(CC#N)CC2)ccc1N[C@@H](C)c1cc(Cl)ccc1Cl 610165488 PWLSLCZSISHSJE-INIZCTEOSA-N 445.394 5.193 30 20 IKED N#Cc1cc(NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)nc2ccc([N+](=O)[O-])cc12 610246244 VATCYUGQSDEABL-QWRGUYRKSA-N 432.324 5.336 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(Br)c(F)cc3Cl)cc2)nc1 610578583 FKZKKXVVBPRMNQ-UHFFFAOYSA-N 446.663 5.553 30 20 IKED C[C@@H](NC(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1)c1cccc(C#N)c1 611073318 BKQHCBZYUZJGNB-QUCCMNQESA-N 435.572 5.104 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCC3(CC2)OCc2ccccc23)cc1Cl 611184356 OACQPQAWAIJOPH-UHFFFAOYSA-N 444.918 5.666 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(Cc1ccc(F)cc1)C1CC1 612805416 XCAXNANWIPKALF-CHWSQXEVSA-N 426.376 5.409 30 20 IKED C=CCN(Cc1cccs1)C(=O)N[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 616133573 TZEUEWUWXHXBMC-GOSISDBHSA-N 437.565 5.190 30 20 IKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccccc2)nnc1-c1ccc(Cl)cc1 659331310 GPJLFJPFQHVSEW-FQEVSTJZSA-N 438.984 5.240 30 20 IKED CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 670775939 GVNJDOFDQGBXKT-AEGPPILISA-N 449.357 5.863 30 20 IKED O=C(N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2ccc(F)cc2F)CCCC1 677660765 YIRYQCVZXSXHKJ-TXEJJXNPSA-N 429.351 5.366 30 20 IKED N#C[C@@H](C(=O)C[C@H](c1ccccc1)C(F)(F)F)C(=O)Nc1ccc(SC(F)F)cc1 728763647 VLASRXDGAZTGNS-JKSUJKDBSA-N 442.409 5.385 30 20 IKED Cc1ccc(-c2csc3nc(/C(Cl)=C/c4cccc(OCC#N)c4)nc(O)c23)s1 730152027 XYRWCFINAOPLNE-YBEGLDIGSA-N 439.949 6.073 30 20 IKED C[C@H](OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C(=O)Nc1ccc(F)cc1F 732377805 WAUMUKJSLUTYAF-HNNXBMFYSA-N 436.414 5.007 30 20 IKED CCN(C(=O)/C=C\c1ccccc1C#N)[C@@H](c1ccc(Br)cc1)c1cccnc1 732963444 OCFRCNRAEBKQHD-WCQSIDKYSA-N 446.348 5.367 30 20 IKED COC(=O)Nc1cccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 733626490 KKBQZTOXNWIZGL-UHFFFAOYSA-N 436.855 5.826 30 20 IKED N#Cc1ccc(OCCCOC(=O)c2csc(-c3ccc(Br)s3)n2)cc1 738663190 PJUNJKPZYNNKCG-UHFFFAOYSA-N 449.351 5.132 30 20 IKED Cc1c(C(=O)/C=C\c2cccc(OCc3cccc(C#N)c3)c2)cnn1-c1ccc(C#N)cc1 741843934 JSRDSSQGOOERQD-RAXLEYEMSA-N 444.494 5.399 30 20 IKED C=CCn1c(SCc2ccc(OC)c(SC(F)(F)F)c2)nnc1-c1ccoc1C 741848757 XELIYDGUYCVFIW-UHFFFAOYSA-N 441.500 5.945 30 20 IKED N#C[C@@H](C(=O)C[C@@H](Cc1ccccc1)c1ccccc1)c1nc2ccccc2n1C(F)F 744038621 XGLDEGAYRGBOOM-RTWAWAEBSA-N 429.470 6.024 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)n2)cc1 744061199 IPZMKYDTXHRXFQ-CEXWTWQISA-N 438.339 5.969 30 20 IKED C#Cc1cccc(NC(=S)N(CCc2ccc(OC)c(OC)c2)Cc2ccsc2)c1 749831899 ZKVBGTWYLKNWLB-UHFFFAOYSA-N 436.602 5.188 30 20 IKED CC(C)c1ccccc1N=C1SCCCN1C(=O)CCc1nnc(-c2ccccc2)o1 750619617 CJQVXNDRTZJWMJ-UHFFFAOYSA-N 434.565 5.446 30 20 IKED Cn1c(Cl)cnc1/C=C1/CC(c2ccccc2)C/C(=C/c2ncc(Cl)n2C)C1=O 752884170 CKDHSVMVKFPRRZ-APGQMXJTSA-N 427.335 5.074 30 20 IKED CC(C)C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)N1CCCCC1=O 756231931 PLKLJGYIGIZFCW-IEBWSBKVSA-N 429.973 5.067 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 756518010 RJQSMZIEARJRMS-HNNXBMFYSA-N 440.450 5.197 30 20 IKED C#CC[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1)c1ccccc1 757263328 RGVLRQWOYROYRB-YADARESESA-N 428.557 5.359 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)/N=C/c1ccc(O)c(O)c1O 757524847 CEEMVNULLSTRRY-PRMNVEQPSA-N 433.327 5.178 30 20 IKED CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)C1 759219661 ZJECUYHLUBDISA-FUHWJXTLSA-N 425.554 5.024 30 20 IKED COc1ccccc1[C@@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccccn1 759599299 WSQFMDOCXZSHJT-RUZDIDTESA-N 437.455 5.096 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)CCO2)c1 762309349 FKLLFKNPZATSST-VWLOTQADSA-N 435.483 5.094 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)Cc1cccc(OCC#N)c1 784104741 AWOMBTSVRKYMSP-UHFFFAOYSA-N 431.492 5.494 30 20 IKED CCCc1c(NC(=O)c2ccccc2NC(=O)c2ccccc2)cnn1-c1cccc(C#N)c1 784708455 FXNOWAKRTJDIAP-UHFFFAOYSA-N 449.514 5.201 30 20 IKED CC(C)(C)n1cc(C=NNc2nnc(-c3ccccn3)s2)c(-c2ccccc2Cl)n1 788026388 HDAMALVMQRMMFY-UHFFFAOYSA-N 437.960 5.318 30 20 IKED C=C(C)COc1cc(/C=C2\SC(=S)N(CCCCC(F)(F)F)C2=O)ccc1OC 794861046 CMZDEKWIPGEECC-BOPFTXTBSA-N 445.528 5.584 30 20 IKED N#C[C@@H](C(=O)CO[C@H]1CCCc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1 797550186 ZFSOFDYCHHDBJF-LPHOPBHVSA-N 430.451 5.586 30 20 IKED Cc1ccccc1[C@@H](O)C1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 804519750 VBTUTRHOHRMGOO-SANMLTNESA-N 442.584 5.604 30 20 IKED COc1cc(C#N)ccc1NC(=O)c1ccccc1CC1CCN(C(=O)OC(C)(C)C)CC1 808738419 YSNIXOWGTZXMRA-UHFFFAOYSA-N 449.551 5.009 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F 809127718 KHCMBPVSZNZXSN-SFHVURJKSA-N 447.379 5.212 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(Cc2noc(C(C)(C)c3cc(F)cc(C#N)c3)n2)cc1 809432878 SSTZEFBBADKFLP-UHFFFAOYSA-N 436.487 5.344 30 20 IKED N#C[C@H](C(=O)[C@H](Sc1ccccc1F)c1ccccc1)c1cc(C(F)(F)F)ccn1 813211470 KXGMVNQCMCUSSG-HRAATJIYSA-N 430.426 5.949 30 20 IKED Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cs1 813212785 GDWTZFIHKIEACE-MRXNPFEDSA-N 447.457 5.826 30 20 IKED C=CC[C@H](NC(=O)CCc1cc(C(F)(F)F)ccc1Br)c1ccncc1 815623263 SEZKBHUEDRZAGC-KRWDZBQOSA-N 427.264 5.229 30 20 IKED Cc1ccc(N2C(=O)CC[C@@H](C(=O)N(C)Cc3cccc(C#N)c3)[C@@H]2c2cccs2)cc1 914490788 JMSHBOFAQGCGQW-RCZVLFRGSA-N 443.572 5.071 30 20 IKED COc1cc(Br)c(/C=C\C(=O)c2ccc(Br)s2)cc1OC 916134105 BUPHWLXPVHBKLC-ARJAWSKDSA-N 432.133 5.186 30 20 IKED CCOc1ccccc1CCC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916907671 KDZMQUDQBJNEOY-OAQYLSRUSA-N 428.488 5.158 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc2c(c1)CCO2)C(=O)c1ccccc1 917519145 KRSIINUKYJJSGV-MOHJPFBDSA-N 425.528 5.651 30 20 IKED Cc1cc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(C(C)(C)C)cc2)c(C)s1 917612278 NLDQADIMLNKBOE-UHFFFAOYSA-O 448.637 6.145 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1csc(-c2ccsc2)n1 920362881 NDEWXBMFNUFWNN-UHFFFAOYSA-N 434.571 5.501 30 20 IKED O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(N=Cc2ccccc2O)cc1 920943294 VOZDRRSVSDVJSI-UHFFFAOYSA-N 437.411 5.005 30 20 IKED C[C@H](Sc1cccs1)C(=O)Nc1ccc(C2(NC(=O)C3(C#N)CCC3)CCC2)cc1 1789417168 AZKREKZTRRKMKQ-INIZCTEOSA-N 439.606 5.057 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5cnccc45)CCC3)cc2)cc1 1790290322 SEETZLKQIOBDLA-UHFFFAOYSA-N 446.510 5.168 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)ccc3OCC)cc2)CCC1 1790692813 FSEIHVGWWYJZPY-UHFFFAOYSA-N 438.955 5.290 30 20 IKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccnc1 1803087737 WJNCGNGFSRGJNY-FTJBHMTQSA-N 445.607 5.293 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3oc4ccccc4c3C)CC2)C1 1804858661 NHGLDGWPWGVNJH-UHFFFAOYSA-N 436.596 5.578 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)C3(c4ccccc4F)CC3)CC2)C1 1804868583 KMCXYQBPFITNDD-UHFFFAOYSA-N 440.603 5.081 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C3CC3)cc2)[C@@H]1c1cccnc1 1811834395 FBAHKFNOFAGICU-RPBOFIJWSA-N 445.607 5.271 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2csc(C)c2C)[nH]n1 1819304621 GUNQOIDYVUMZNX-PXNSSMCTSA-N 426.586 5.162 30 20 IKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(C)C)cc2)[nH]n1 1821987043 BEFVZUZIVKMGFD-LJQANCHMSA-N 430.499 5.050 30 20 IKED Cc1cscc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823213142 UONCJWAOJYJVAP-BTYIYWSLSA-N 447.564 5.026 30 20 IKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 1824538152 NSMYWZJDMRLTFP-LBRNTXKHSA-N 448.717 5.167 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cc(C)cs2)CC1 1828821394 MKWCUSVOEFHFDO-DNQXCXABSA-N 442.669 5.377 30 20 IKED CC(C)=CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C#Cc2ccc(Cl)cc2)CC1 1830249593 JSDAWQIRRQXRNC-DEOSSOPVSA-N 441.015 5.058 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(Cl)c2)CC1 1832610049 UNUJPUWGFYDXCH-HXUWFJFHSA-N 438.946 5.093 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(N(C)C)cc2)c1 10174785 KXTBAMPKSAESMN-UHFFFAOYSA-O 444.624 5.142 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2cccc3ccccc23)cc1 23603071 SYPMQOQXHYKORP-UHFFFAOYSA-O 428.581 5.686 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(I)cc3)n2)cc1 60477247 IXKYVHMDRBQSCX-MRXNPFEDSA-N 444.297 5.213 30 20 IKED O=C1O[C@@H](c2ccccc2)Cc2cc(/C(O)=N/c3nc(-c4ccccc4Cl)n[nH]3)ccc21 97334947 PIHJYYKGBZTIJQ-HXUWFJFHSA-N 444.878 5.216 30 20 IKED C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccccc2-c2ncc(-c3ccc(C)cc3)o2)c1 108116208 UWYUTPSORRUPDD-UHFFFAOYSA-N 449.510 5.009 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 303374299 UFDIKDMNOPWXIJ-PKOBYXMFSA-N 429.545 5.226 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1 426652336 SLPWPBJJNSSCSK-JOCHJYFZSA-N 440.421 5.220 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc(Oc2ccncc2)c(C)c1 427261970 CLNXJQFMXDSUBT-UHFFFAOYSA-N 441.940 5.051 30 20 IKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[C@@H](C#N)c3nc4c(C)ccnc4[nH]3)cc12 429576706 YQXAYAGBFBQERL-CQSZACIVSA-N 446.923 5.119 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H](C(F)(F)F)OC(C)(C)C1 432863677 BWDXOYPPCPXRHE-HXUWFJFHSA-N 447.457 5.019 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)cc1F 437461741 VTTOTEKTXVLGIX-UHFFFAOYSA-N 438.462 5.805 30 20 IKED N#Cc1ccc(CSc2nnc(-c3c[nH]c4ccccc34)n2C[C@@H]2CCCO2)c(Cl)c1 438816931 DFSIRJUKRDTUBX-KRWDZBQOSA-N 449.967 5.423 30 20 IKED CC(C)Oc1ccc(-c2cccc([C@@H](C)N(C)C(=O)C(=O)Nc3ccc(C#N)cc3)c2)cc1 442082577 QZAAOGMPZIWLAR-LJQANCHMSA-N 441.531 5.171 30 20 IKED N#CC(CCN1CCCN(C(=O)CC2CCCC2)CC1)(c1ccccc1)c1ccccc1 444592143 OYRNHIIBYLRLPW-UHFFFAOYSA-N 429.608 5.001 30 20 IKED Cc1ccc(-c2c(C)sc3nc(CN4CCC[C@]5(CCCCO5)[C@@H]4C#N)nc(O)c23)cc1 447911678 FJKLWJMCXJZJLM-UQBPGWFLSA-N 448.592 5.108 30 20 IKED COc1cc(CNC(=O)c2ccccc2Sc2ccccc2C#N)c2ccccc2n1 460521278 PGIPQHAIXHSIDH-UHFFFAOYSA-N 425.513 5.196 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C2CC2)nc2ccc(F)cc12 463105479 NMCQYVJYMQOEBR-UHFFFAOYSA-N 438.462 5.871 30 20 IKED C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CCCN(c2ccccc2C#N)CC1 466825233 KWBBBPACAREEQL-OAHLLOKOSA-N 442.350 5.188 30 20 IKED C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C[C@@H]1n1ccnc1 469504424 DXEILTUMQXTRJI-KKSFZXQISA-N 435.915 5.315 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 472329864 SROLSDOBDLGKSI-JJXUHFIVSA-N 428.989 5.301 30 20 IKED Cc1cccn2cc(COc3ccccc3C(=O)[C@H](C#N)c3nc(C(C)C)cs3)nc12 474450845 XFRQFJHFQMZYDJ-IBGZPJMESA-N 430.533 5.292 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)C[C@@H](CC#N)c2ccccc2)nc1-c1ccccc1 476069661 BOZZWVZJGKQPRE-PKTZIBPZSA-N 427.548 6.216 30 20 IKED Cc1ccc(Br)c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 477087206 JRRPOHCMZUTMLA-UHFFFAOYSA-N 443.288 6.034 30 20 IKED C=C(C)[C@@H](NC(=O)N[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1)c1ccc(F)c(F)c1 477175025 GNIBRXWMBREGMV-BFUOFWGJSA-N 430.430 5.140 30 20 IKED C=CCn1c(S[C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)nnc1-c1ccoc1C 477570830 LIEPUHVCIQFVPK-OAHLLOKOSA-N 440.956 6.503 30 20 IKED Cn1cc(CNc2cccc(COCCOc3ccccc3)c2)c(-c2ccc(C#N)cc2)n1 480023940 JSPFVSCVLOBRSS-UHFFFAOYSA-N 438.531 5.166 30 20 IKED CC(C)n1ncc2c1C[C@H](NC(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)CC2 480118858 MVTMWMWRURWSOW-IFMALSPDSA-N 447.970 5.452 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCc2c(Br)cccc2[C@H]1C 480558878 UYCHHEHZGORGEM-LSDHHAIUSA-N 444.398 5.852 30 20 IKED N#CC[C@H](CC(=O)N(C[C@@H]1CCCO1)c1ccc(Br)cc1)c1ccccc1 483343256 PSIJXJJXVNNTJG-NQIIRXRSSA-N 427.342 5.049 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N(CC3CC3)c3cccc(C(F)(F)F)c3)cc2)nc1 484954991 RNKOOBGBZPXIPD-UHFFFAOYSA-N 437.421 5.821 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N(Cc1ccccn1)C1CC1 486891508 RBYDHLWOMNAULG-UHFFFAOYSA-N 446.576 5.225 30 20 IKED Cc1c(C(=O)N[C@H](CCCC#N)c2ccccc2)cnn1-c1cccc(Br)c1 487294398 CZFTVXGEVHOPAC-OAQYLSRUSA-N 437.341 5.108 30 20 IKED CCNC(=O)Nc1ccc(C)c(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1 487723204 RUXRXWGEKAFKRP-UHFFFAOYSA-N 448.910 5.706 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1nc(-c2cccc(F)c2)no1 488376973 FZHAGGOTUFVPQX-UHFFFAOYSA-N 443.438 5.170 30 20 IKED C=C(C)Cn1c(S[C@H](C)C(=O)Nc2cccc3ccccc23)nnc1-c1ccncc1 489390712 QIKKRQBVJYVHSG-QGZVFWFLSA-N 429.549 5.189 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3SC)o2)cc1 489809242 VGEXVQXPBCFPCR-AWEZNQCLSA-N 427.551 5.143 30 20 IKED N#C[C@H](NC(=O)CCCCc1nc2ccccc2s1)c1ccc(Br)cc1 499413854 WHLDXLWUPROPIR-KRWDZBQOSA-N 428.355 5.153 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F)c1nc2ccccc2s1 499581593 HSZHDMORELIDBH-SNVBAGLBSA-N 447.829 5.039 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 499618361 TWQYNBSISPVFJL-DENIHFKCSA-N 435.568 6.148 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 499914630 VHFJQKHCBOQREZ-UHFFFAOYSA-N 445.510 5.804 30 20 IKED CSc1nc(C)c(CCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(C)n1 501420791 IIWUWBQKMOPDDP-UHFFFAOYSA-N 446.576 5.032 30 20 IKED COc1cccc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1OC1CCCC1 503223116 CSFMZCHZMHJSKN-KRWDZBQOSA-N 439.581 5.733 30 20 IKED COc1ccc([C@@H]2CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)C2)cc1 504886252 WNJKGZQYYLCVRU-JOCHJYFZSA-N 428.557 5.489 30 20 IKED C[C@H](NC(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1)c1ccc(C#N)cc1 505357997 SFNVNMKUNPGOLA-NRFANRHFSA-N 438.575 5.381 30 20 IKED C=C(C)COc1cc(CN[C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)ccc1OC 506285432 QDIUBLDAZQUYLG-QGZVFWFLSA-N 438.593 5.941 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CC[C@@H](COc3ccccc3)C2)cc1 508138690 ZNVHMXHTSQNHOQ-JOCHJYFZSA-N 428.557 5.392 30 20 IKED CCOc1ccc(Br)cc1CN(C(=O)N[C@@H](C)c1ccc(C#N)cc1)C1CC1 509222890 FBWMDIIFOAKSFX-HNNXBMFYSA-N 442.357 5.155 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 509607210 WAYNQCJWCYZRGR-UHFFFAOYSA-N 442.544 5.538 30 20 IKED C[C@H]1C[C@@H](C)CN(CCCCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 511413498 HUDCESXMEVSTLC-SZPZYZBQSA-N 448.611 5.211 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(COc4ccc(C)nc4)c3)n2)cc1 512943401 OPNWTIGVGGOYMC-HSZRJFAPSA-N 439.540 5.891 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)cc1 513082060 IDZPDAXKRWNRSZ-GOSISDBHSA-N 430.483 5.138 30 20 IKED CCN(C(=O)c1ccc(COc2ccccc2C#N)o1)c1cccc(Br)c1 515636122 POEWEZBGRCORST-UHFFFAOYSA-N 425.282 5.159 30 20 IKED COc1ccc(CNCc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1OCCCC#N 517545361 MQXDDBSBOFMQRI-UHFFFAOYSA-N 441.984 5.753 30 20 IKED CCN(Cc1cccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1)C(C)=O 517651662 RFMMSIJIBBNHLO-UHFFFAOYSA-N 427.504 5.166 30 20 IKED CCc1ccc2c(c1)[C@H](CCNC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)N2 518357530 WLIYRJOKWXBPLJ-IBGZPJMESA-N 441.556 5.128 30 20 IKED C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 519198906 CKJLUSUPOZEETI-SFHVURJKSA-N 438.491 5.156 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1(c2ccccc2)CCCCC1 520931348 BXXCFDCLWXLIPO-IBGZPJMESA-N 435.593 5.038 30 20 IKED N#C[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1cccc(C(F)(F)F)c1 521352976 ZFKXJZPKRXBRCE-INIZCTEOSA-N 439.224 5.193 30 20 IKED CN(Cc1ccccc1NC(=O)Nc1cccc(OCCCC#N)c1)C(=O)c1cccs1 523448626 BJNPLZGBJSMYJI-UHFFFAOYSA-N 448.548 5.347 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 523789031 XDURZGBEGQKIBK-UHFFFAOYSA-N 445.866 5.376 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1nc(-c2ccsc2)oc1C 524214856 GXJBDIXDIKPFIK-UHFFFAOYSA-N 442.541 5.499 30 20 IKED COc1cc([C@H](C)NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)ccc1OC(C)C 524383382 ADGLJXUQQVVSAA-KRWDZBQOSA-N 434.492 5.017 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(Cl)cc(Br)c3O)cc2)nc1 531133758 VKMLEVUEXDBECL-UHFFFAOYSA-N 444.672 5.119 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2ccn(-c3ccccc3)n2)cc1Cl 531539575 YWMBCIQHDLIMDM-QHCPKHFHSA-N 426.907 5.362 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)cc1 534000124 WEHGTPQBIDBXNA-UHFFFAOYSA-N 441.384 5.415 30 20 IKED C=CCN(Cc1cccc(C#N)c1)Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1 535220506 POMHQBSLPFIQKA-UHFFFAOYSA-N 444.604 5.813 30 20 IKED C=CCCC[C@H](C)NC(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 537232808 SSPMEKWRBOFPIR-JKSUJKDBSA-N 441.622 5.547 30 20 IKED Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)nn1C1CCCCC1 538444485 ACODOSBFEYYKMJ-UHFFFAOYSA-N 427.508 5.073 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NC3CCN(Cc4ccc(C#N)cc4)CC3)s2)cc1 540606021 BCJZUHPWLKLRLD-GOSISDBHSA-N 446.620 5.314 30 20 IKED Cc1cc(N2CCOCC2)ccc1NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542923328 DIAUSXDHTIFDJO-FQEVSTJZSA-N 440.547 5.253 30 20 IKED CCCc1c(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cnn1-c1cccc(F)c1 543363113 WBOQJSZDHZFSNB-UHFFFAOYSA-N 429.499 5.157 30 20 IKED N#CCCN(C(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1ccc(F)cc1 553946818 PRUXBTJJPGZTAG-UHFFFAOYSA-N 430.508 5.555 30 20 IKED Cc1noc(-c2ccc(C)c(NC(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)c2)n1 557443690 DRVBTJZEWUJSPR-UHFFFAOYSA-N 449.942 5.124 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CNC(C)(C)c1cccc(C(F)(F)F)c1 571708722 LLKRCZGGVQPWAG-OAHLLOKOSA-N 435.515 5.563 30 20 IKED CN1CCC[C@H](CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@@H]1c1cccs1 576912451 XAHPXFVCRHBGGY-UZUQRXQVSA-N 447.564 5.012 30 20 IKED CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3cc4ccccc4n3CC#N)CC2)cc1 591135219 LXRYDTRYHCNOJC-UHFFFAOYSA-N 427.548 5.098 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OCc4cccnc4)cc3)n2)cc1 603627424 KAYAGAIYCPLGMJ-QFIPXVFZSA-N 441.512 5.283 30 20 IKED CN(Cc1ccc(Br)s1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603689742 DAPNBDOTRJNTAQ-UHFFFAOYSA-N 443.326 5.233 30 20 IKED Cc1ccc(CN(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)o1 604211463 JYUAEQVNIYKVJK-QFIPXVFZSA-N 447.922 5.027 30 20 IKED CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 608739195 CDGOMZDSRDPMII-DZKIICNBSA-N 428.392 5.165 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F 608945431 MULMSUYTKZOHDD-OAQYLSRUSA-N 432.490 5.119 30 20 IKED N#Cc1ccc(CN(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C2CC2)cc1 608998395 ADXPWWTVFUBEAT-HUUCEWRRSA-N 433.396 5.142 30 20 IKED Cc1ccc(-c2c(C)sc3nc(CSCCOc4ccccc4C#N)nc(O)c23)cc1 609235007 MGDURIFXIVQRKN-UHFFFAOYSA-N 447.585 5.865 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 609378126 XGWUNABICZAQLT-KRWDZBQOSA-N 427.529 5.045 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cc(C(F)(F)F)ccc2F)cc1 609442004 QUCIHWALZCNBBQ-UHFFFAOYSA-N 430.426 6.261 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(O)nc3ccc(F)cc23)cc1Cl 609968201 OKGIDSGPIVAFNS-HXUWFJFHSA-N 431.854 5.641 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)c2)cc1 609985803 LQKOEKQGMQQJTN-UHFFFAOYSA-N 432.911 5.044 30 20 IKED Cc1cc([C@@H](C#N)C(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)nc(C)n1 613295831 MSOLUNOYPFHJHI-GOSISDBHSA-N 442.371 6.183 30 20 IKED N#C[C@@H](C(=O)c1cc2cc(Br)ccc2o1)c1nc2cc(Cl)ccc2s1 613407177 KJSMRIFUMDAWHD-LBPRGKRZSA-N 431.698 5.948 30 20 IKED C=CCn1c(SCC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)nnc1-c1ccccc1 613808977 KESMNIAVJJNOIT-UHFFFAOYSA-N 447.391 5.189 30 20 IKED N#C[C@@H](C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)c1nc2cc(F)ccc2s1 673812101 QBYFLBFQKYWPCS-ZDUSSCGKSA-N 447.438 6.068 30 20 IKED N#Cc1cnc2ccccc2c1OCCOC(=O)c1csc(-c2ccc(Cl)s2)n1 726365123 VPMNXRLBMWCEDL-UHFFFAOYSA-N 441.921 5.181 30 20 IKED CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3ccccc3-c3ccccc3C#N)ccc21 726511469 NWIRKGWVAVULQQ-UHFFFAOYSA-N 439.515 5.775 30 20 IKED CCOc1ccc(OCC)c(NC(=S)Nc2cccc(OCc3cccc(C#N)c3)c2)c1 726899488 QMCKFPAJLCBYRE-UHFFFAOYSA-N 447.560 5.744 30 20 IKED Cc1cccc(COc2cccc(CC(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c2)c1 730421773 PIRQOULFXPDISE-NRFANRHFSA-N 430.504 5.742 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1Cl 730688142 SAIQGRWTAMBOPO-RRFJBIMHSA-N 437.710 5.106 30 20 IKED N#C[C@@H](C(=O)CCc1cc(Br)cs1)c1nc2cc(Cl)ccc2s1 730689754 KTFPEAIDPKBELM-LBPRGKRZSA-N 425.760 5.583 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(Cl)sc1Cl 731067191 OGVSGGZGBPPCBS-JTQLQIEISA-N 429.350 5.102 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(Cl)sc1Cl 731067192 OGVSGGZGBPPCBS-SNVBAGLBSA-N 429.350 5.102 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)cc1 732417975 MXAANDRHTYCORC-RBBKRZOGSA-N 440.330 5.504 30 20 IKED C#CCN(C(=O)Nc1ccc(Cl)cc1F)[C@H]1CCOc2ccc(Br)cc21 733615210 CASCUUSNUPONBV-KRWDZBQOSA-N 437.696 5.233 30 20 IKED C=CCn1c(COc2ccccc2F)nn(CN2CCC[C@@]3(CC=CCC3)C2)c1=S 733992511 RMQGHHDGERPOGL-QHCPKHFHSA-N 428.577 5.098 30 20 IKED Cc1ccc2ncccc2c1S(=O)(=O)O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F 734153474 GCKXEBJFSYLFKY-KRWDZBQOSA-N 429.847 5.076 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](Cc2ccccc2)c2cccs2)ccc1OC 735189610 DQGKQJUVSPVOHQ-NHCUHLMSSA-N 449.576 5.221 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 739594903 ACVPCSZBFIFGEZ-UHFFFAOYSA-N 447.560 5.493 30 20 IKED O=C(/C=C/c1ccc(SC(F)(F)F)cc1)c1ccc(S(=O)(=O)CC(F)F)cc1 741851907 FJELUZUDXJLITF-XCVCLJGOSA-N 436.423 5.233 30 20 IKED C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1nc(-c2ccc(Cl)cc2)no1 742709225 AEDXEQCXFJJILY-QGZVFWFLSA-N 444.922 5.691 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnc(-c3ccc(OC)cc3)s2)cc1 744032072 BLTRIDULYKBMLJ-FOIQADDNSA-N 433.533 5.293 30 20 IKED CCCOc1ccc(CCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 744038467 VWGANXQALLSZHC-KRWDZBQOSA-N 432.467 5.913 30 20 IKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2[C@@H](C)CCC[C@H]2C)ccc1Cl 744758013 OIWRXALUAISHSS-HDICACEKSA-N 447.000 5.124 30 20 IKED Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1N=Cc1c(CO)cnc(C)c1O 747707316 GKORIHYUOKHMKF-IBGZPJMESA-N 440.330 5.609 30 20 IKED C[C@H](OC(=O)c1c(F)c(F)cc(F)c1F)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 748220704 SSDBLLNPXNEMKJ-LURJTMIESA-N 443.702 5.099 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)c(F)cc2Br)cc1 749767957 GAQKWDAWZYOYJN-KRWDZBQOSA-N 427.248 5.635 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(NC(=O)NC(C)C)cc2)ccc1OCC(F)(F)F 750906195 QIGXFHJBQUMYEG-WMZJFQQLSA-N 436.430 5.062 30 20 IKED CCOC(=O)Nc1ccc(N[C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)cc1C#N 752796623 NAFPIZICXUWZLL-NSHDSACASA-N 446.294 5.657 30 20 IKED N#C[C@H](C(=O)CN1CCC[C@@H]1c1ccccc1Br)c1nc2ccccc2s1 755997350 HFWZBEUJOBUKLW-CRAIPNDOSA-N 440.366 5.072 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](O)c2cc3ccccc3s2)cc1 758220243 DGFQHHPSZPLQPA-FGZHOGPDSA-N 427.529 5.412 30 20 IKED N#C[C@@H](C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1nc(-c2ccc(Cl)cc2)cs1 759213220 IVUHFAKROFVFRY-KRWDZBQOSA-N 436.880 5.272 30 20 IKED C#Cc1cccc(N(C)C(=O)c2sccc2NC(=O)c2ccc(Br)cc2)c1 764078325 QOTRTGHVEFETQM-UHFFFAOYSA-N 439.334 5.021 30 20 IKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)O[C@H](C#N)C(C)(C)C 765635479 YMKLFXQRXFDGGK-XJKSGUPXSA-N 441.578 5.167 30 20 IKED CCOc1c(OC)cc(/C=C/C(=O)c2ccc(OC[C@H]3CCCCO3)c(F)c2)cc1OC 771100411 YIKNKMLJZDIUBL-LHUXKHBRSA-N 444.499 5.086 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C(F)(F)F)cc1 780484919 HHLRICPZOSUIBI-FCHUYYIVSA-N 439.437 5.776 30 20 IKED Cc1cc(Br)cc(NC(=O)c2ccc(F)c(C#N)c2)c1NC(=O)OC(C)(C)C 790944370 CXOFAPINQCVJBU-UHFFFAOYSA-N 448.292 5.368 30 20 IKED C[C@@H](SCc1ccc(C(F)(F)F)cc1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 794441764 REJXYPLTMACTNM-SSDOTTSWSA-N 429.332 5.661 30 20 IKED CC(C)(C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1cc(F)cc(C#N)c1 796811102 KXHHRTQVGTVEES-HNNXBMFYSA-N 431.414 5.480 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 799630072 QYHYIWNOVNKKCV-PWHSHALESA-N 448.592 5.197 30 20 IKED C[C@H](C#N)OCCSc1nnc(COc2ccccc2F)n1[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 801651815 GEXGJMPYYGHWEZ-GFEQUFNTSA-N 444.576 5.014 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 804460749 NWSFOVXWNZBVOE-UHFFFAOYSA-N 443.499 5.072 30 20 IKED N#CC1(OCCOC(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)CCOCC1 809082644 KGWGVVWVBSAECA-UHFFFAOYSA-N 436.291 5.032 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(N2CCCCC2=O)cc1 811973838 HXXNWDCGWFQSRI-HXUWFJFHSA-N 432.568 5.004 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1 915351821 HADHUOIVRVCJPC-VWLOTQADSA-N 444.966 5.345 30 20 IKED N#C[C@H](C(=O)[C@@H]1COc2ccccc2C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997515 VHSHIPKSJUUSPX-XJKSGUPXSA-N 429.328 5.544 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(-n3ccnc3S)cc2)cc1 918630664 CPHGBKCYKNZOFB-UHFFFAOYSA-N 442.519 5.014 30 20 IKED CC(=O)N(c1nc(COC(=O)c2ccccc2OCC#N)cs1)c1c(C)cc(C)cc1C 920633803 UWDJSRDBVZZCQX-UHFFFAOYSA-N 449.532 5.012 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4sccc4F)cc3)CCC2)c1 1786523261 UFFXVPMRLCTNLH-INIZCTEOSA-N 447.535 5.576 30 20 IKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)cc3C(F)(F)F)CCC2)cc1 1787650764 UJAAPYQGBORSAK-UHFFFAOYSA-N 435.833 5.020 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)CCCC4=O)cc2)CCC1 1789041799 MXILWCSRHYJYDK-UHFFFAOYSA-N 442.559 5.147 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C[C@H]4CCCCO4)CCC3)cc2)c1 1792122648 DILOURCVMFFSQF-YADARESESA-N 445.563 5.021 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSc2ccccc2)CC1 1823750337 HITUSKFGNGHUFM-HSZRJFAPSA-N 442.669 5.391 30 20 IKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 1824541556 FMRANMKKCMQIEF-JMJGKCIBSA-N 436.706 5.023 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc(Cl)c2)CC1 1828828935 AMSJGRFLIOWMFH-XZOQPEGZSA-N 446.994 5.481 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3cccnc3)cc2)CC1 1831374396 PLTCSKXWSCQBDD-RLWLMLJZSA-N 445.607 5.194 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 1832029589 IYLMDHMFWCLWTG-QFIPXVFZSA-N 448.529 5.132 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2ccccc2CC)cc1 10173494 POAHSLJZTVPCBQ-UHFFFAOYSA-O 445.652 6.447 30 20 IKED Cc1cc(C)c(N/C(S)=C(\C(=O)c2cc(C)n(C)c2C)[n+]2ccccc2)c(Cl)c1 10178737 QNJHRXRGFQVUFS-UHFFFAOYSA-O 426.993 5.251 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(OC)cc1)=C(/S)Nc1ccc(F)c(Cl)c1 10764000 PTXBIHXBPJDECT-UHFFFAOYSA-O 443.951 5.389 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccc(F)cc2F)cc1 11247256 QTBOXPQAJROIKZ-UHFFFAOYSA-O 431.915 5.519 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2cccc(CC)c2)cc1 14872058 DUPJJHOUBRMXAQ-UHFFFAOYSA-O 448.568 5.448 30 20 IKED C=CCN1C(=O)c2ccccc2N[C@@H]1c1csc(-c2cccc(Br)c2)n1 19356819 CGAYLITYTNSZTG-SFHVURJKSA-N 426.339 5.325 30 20 IKED CN(C)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cccc(Cl)c2)cc1 22730571 PEQKSXAMHHNXTJ-UHFFFAOYSA-O 446.930 5.023 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2ccc(OC)cc2)cc1 22731152 CRKVLHHIUUWGLP-UHFFFAOYSA-O 431.990 5.311 30 20 IKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(C)c2)c1 28780309 ZFEGRVXXTINSRW-UHFFFAOYSA-O 444.407 6.257 30 20 IKED CCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OCC 60477608 IQRAHCYPYSEWBK-QGZVFWFLSA-N 426.925 5.751 30 20 IKED C=CCn1c(SCC(=O)N2CCc3sccc3[C@@H]2CC)nnc1-c1cccc(C)c1 217156703 ZUTAUWDESVDWBX-IBGZPJMESA-N 438.622 5.129 30 20 IKED Cc1ccc(Cl)cc1N1CC[C@H](CNCc2cn(CCC#N)nc2-c2ccccc2)C1 237557014 NGWODTPRIJWOMS-HXUWFJFHSA-N 433.987 5.042 30 20 IKED CCc1ccc([C@H](Nc2ccc3cc(C#N)ccc3n2)c2cccc(S(C)(=O)=O)c2)cc1 301991139 XYPVOGLGYXXFFV-SANMLTNESA-N 441.556 5.274 30 20 IKED C[C@@H](Nc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1[N+](=O)[O-])c1ccccn1 302999204 MPUBCHLXWWAMKM-MRXNPFEDSA-N 429.480 5.216 30 20 IKED Cc1ccsc1[C@H](CO)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 429049087 ODPYOQQLYLYUHC-SFHVURJKSA-N 427.913 5.229 30 20 IKED COc1ccccc1-c1ncc(CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cn1 430225077 LCLKOVGETGQPEO-UHFFFAOYSA-N 438.506 5.365 30 20 IKED COCc1nc2cc(NC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)ccc2o1 431194772 UZKZPAOUSLKIME-UHFFFAOYSA-N 446.438 5.208 30 20 IKED C[C@@]1(c2ccc(F)cc2)CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 431941489 LUWYKGIRLVUYOV-AREMUKBSSA-N 442.494 5.145 30 20 IKED Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1sc2ccc(C#N)cc2c1C 432803132 FXHPNYLTJVJZKQ-INIZCTEOSA-N 431.561 5.657 30 20 IKED O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)C1CCC(C(F)(F)F)CC1 436032531 MTDZCSIJMTUPPI-UHFFFAOYSA-N 429.311 5.524 30 20 IKED CCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@H](C)c1cccc(O)c1 437737814 QACGFCVDPGNMCK-UZUQRXQVSA-N 433.939 6.316 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N(CCC(F)(F)F)CC2CC2)cc1 438627401 ANRSVFAQZIPHLG-UHFFFAOYSA-N 431.458 5.528 30 20 IKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 439316574 LNRJLQSQPSAJMK-INIZCTEOSA-N 433.895 5.237 30 20 IKED CCCc1c(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cnn1-c1cccc(C#N)c1 439674769 PYSRUJYAAZHPET-UHFFFAOYSA-N 446.511 5.047 30 20 IKED N#CCSc1ccccc1NC(=O)CN1CCC(Sc2ccc(Cl)cc2)CC1 441400467 LINZKCWBAXNRDW-UHFFFAOYSA-N 432.014 5.151 30 20 IKED C[C@H](N(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)C(C)(C)C 441401031 BBRJUPIHVVQQPX-MOPGFXCFSA-N 437.609 5.483 30 20 IKED C=CCC[C@@H](NC(=O)N1CCN([C@H](C)c2cccnc2)CC1)c1ccc(C(F)(F)F)cc1 441532466 KSDAJVVMONVTSC-XMSQKQJNSA-N 446.517 5.196 30 20 IKED N#Cc1cccc(-c2nnc(N3Cc4ccccc4-c4ccccc4C3)n2C[C@@H]2CCOC2)c1 461607568 WFSGFCIMXCXSRO-NRFANRHFSA-N 447.542 5.040 30 20 IKED N#Cc1cnc2ccc(Cl)cc2c1N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 462806064 UZNFPJLHTTUDPW-OAQYLSRUSA-N 437.330 5.366 30 20 IKED COc1cc(CN2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)ccc1OCc1cccc(C#N)c1 463210932 HRMVGVWRQBWNNT-SDHSZQHLSA-N 434.580 5.051 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2c(F)cc(C(F)(F)F)cc2F)c1C#N 463291491 WVIAOWSBJDMTLF-UHFFFAOYSA-N 438.381 5.015 30 20 IKED Cc1ccc(O[C@H](C)CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 466163015 KKMDTLCYZAOTBY-HXUWFJFHSA-N 429.520 5.229 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)s2)cc1 468804775 BWTWRSANEKCCJE-SFHVURJKSA-N 444.604 6.183 30 20 IKED CC(C)c1cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2ccccc2n1 469952681 JDMXTBFKOQBKQF-UHFFFAOYSA-N 426.520 5.193 30 20 IKED Cc1ccc(-c2cnc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)s2)c(C)c1 470357324 NSZVMKGLHRXJLU-UHFFFAOYSA-N 432.549 5.093 30 20 IKED Cc1ccc([C@H](NCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)c2ccccn2)cc1 471066027 LJQYBIUVWSNETG-SANMLTNESA-N 441.579 5.113 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1csc(N(C)C2CC2)n1 475744718 BDWSRBAVKVZEMB-UHFFFAOYSA-N 448.017 5.044 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 476158855 SICPMAOADPZKEP-UHFFFAOYSA-N 431.001 5.744 30 20 IKED CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)N1CCC(F)(C#N)CC1 477792862 PKSMDBDWWPPDGG-UHFFFAOYSA-N 429.517 5.068 30 20 IKED N#C[C@H](C(=O)c1ccc(Br)cc1C(F)(F)F)c1ccc(C(F)(F)F)cn1 477836160 CQJLQMFMDDPKSO-NSHDSACASA-N 437.137 5.372 30 20 IKED COc1cccc(-c2nnc(SCc3ccc(Cl)cc3C#N)n2Cc2ccco2)c1 479207726 JVXLJGBDYXKHJJ-UHFFFAOYSA-N 436.924 5.412 30 20 IKED Cc1ccc2c(c1C)OC[C@H]2NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 480154433 QFOLMFNEHCMTPZ-XMMPIXPASA-N 427.504 5.204 30 20 IKED CCCN(C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@H]1CCCc2cccnc21 480207822 GOMMTRMFSHOTKQ-SFHVURJKSA-N 432.446 5.216 30 20 IKED CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)CSc1ccc(C#N)cc1 481920402 MBAWGYWFCSZJSO-UHFFFAOYSA-N 438.556 5.162 30 20 IKED Cc1nn(-c2ccc(C(=O)[C@H](C#N)c3nccc4ccccc34)cc2)c(C)c1Br 483246763 VCZNAHCXVGQSJC-HXUWFJFHSA-N 445.320 5.290 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NCC3(c4ccc(Cl)cc4)CCOCC3)c2)cc1 483326073 VDMQQJLXKFQKKR-UHFFFAOYSA-N 446.934 5.482 30 20 IKED Cc1cc(-c2noc([C@@H](C)NCc3cccc(OCc4ccccc4C#N)c3)n2)ccc1F 483645944 AHULAGHWEJYIRR-GOSISDBHSA-N 442.494 5.486 30 20 IKED CC1(C)CN(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)CC[C@H]1C(F)(F)F 484181207 VNLDIRUUGAUJEU-CQSZACIVSA-N 444.391 5.546 30 20 IKED Cc1ccc(F)c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1Br 484686855 ZPFGWSLMDQNMPD-UHFFFAOYSA-N 429.245 5.193 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2cccc(Cl)c2)o1 488471103 AHAOINKESLKSQF-CYBMUJFWSA-N 444.969 5.373 30 20 IKED C=CCn1c(S[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)nnc1-c1ccccn1 488895250 HCSLYQUFLMEUNU-SFHVURJKSA-N 441.560 5.632 30 20 IKED N#CC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)CC1 489407392 LQPYNYJQEVUUMU-UHFFFAOYSA-N 432.527 5.582 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)c1ncc(-c2ccccc2)o1 489628586 AIKZIBJCXYZREV-GOSISDBHSA-N 432.549 5.860 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)c1nc(-c2cccs2)no1 489654175 ATCHKGJDIHGYJJ-AWEZNQCLSA-N 425.539 5.008 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3nnc(-c4ccc(Cl)cc4)o3)o2)cc1 489757316 FXZDSQWGHVOVQD-UHFFFAOYSA-N 426.885 5.297 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccccc2COCc2ccccc2)c1 498640949 WKEIKKRSEKAJBM-UHFFFAOYSA-N 448.522 6.106 30 20 IKED CC(C)CN(C(=O)c1oc2ccccc2c1CSc1ncccn1)c1ccc(C#N)cc1 499408089 OPNZKNZIMBYUAC-UHFFFAOYSA-N 442.544 5.690 30 20 IKED CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H]1c1ccc(OC)cc1 499430470 HEXZIOXHLOAGLP-ILBGXUMGSA-N 447.579 5.215 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccccc3-c3ccccc3C#N)c2)cc1 501417378 GWCMDRHEVTVEIO-UHFFFAOYSA-N 443.506 6.123 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1)c1ccccn1 502708890 ZLSCIOUEHFRSJH-JOCHJYFZSA-N 429.483 5.032 30 20 IKED N#C[C@@H](C(=O)c1ccc2c(c1)nc(O)n2C1CCCC1)c1nc2cc(Cl)ccc2s1 503421565 OICPABVASXKKOF-HNNXBMFYSA-N 436.924 5.610 30 20 IKED N#Cc1cccc(OCCCCC(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)c1 503870858 ILOAZWBHSFVYIX-XMMPIXPASA-N 433.939 5.256 30 20 IKED Cc1nc(COc2ccccc2C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cs1 505307179 BQYSCEXPEWDUAZ-KRWDZBQOSA-N 432.332 5.332 30 20 IKED N#C[C@@H](NC(=O)CSCc1cc(-c2cccs2)on1)c1c(Cl)cccc1Cl 505505381 GCWCOVHGJNVUJO-CQSZACIVSA-N 438.361 5.324 30 20 IKED N#C[C@@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1c(Cl)cccc1Cl 505539376 GVGFWZCRLQSTIO-MRXNPFEDSA-N 436.245 5.240 30 20 IKED C=CCN(Cc1ccccc1)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 505608597 VWMNFQPNFGUHSB-IBGZPJMESA-N 431.363 5.060 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CSc2nc(-c3ccccc3)ccc2C#N)c1C 510219603 FZRPQEOUSVJVIH-UHFFFAOYSA-N 426.545 5.276 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccco2)Cc2cccs2)cc1 510979376 DFAMJBYIMYCMMH-UHFFFAOYSA-N 435.549 5.390 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1nc(O)c2c(-c3ccccc3)csc2n1 512516540 HWGUNMLBMVXPDS-UHFFFAOYSA-N 433.581 5.420 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)COc2cc(Cl)ccc2Cl)cc1 515648963 BXVKPSPWBQYYBR-UHFFFAOYSA-N 441.314 5.656 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2sc3cc(Cl)ccc3c2Cl)n1 516789426 JCDJTQSOXLPMAR-JTQLQIEISA-N 425.318 5.331 30 20 IKED CCN(C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@H](C)c1ccc(F)cc1 518571049 RHLVRYJXMUDEOM-QGZVFWFLSA-N 431.467 5.038 30 20 IKED CCC(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 520405941 JZZROPSWZMBYHE-UHFFFAOYSA-N 448.910 5.674 30 20 IKED COc1cc(CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C2CC2)ccc1O 521784672 DHYJSZNSGZWOEO-UHFFFAOYSA-N 429.476 5.261 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)cc2)cc1 521955584 OYMZYFMZLJXJJK-UHFFFAOYSA-N 444.494 6.341 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 524392363 DNYWTSANOATCKE-UHFFFAOYSA-N 433.489 5.085 30 20 IKED Cc1cccc(NC2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)c1 525493479 CBCUWRUKWNSVLE-UHFFFAOYSA-N 427.573 5.735 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3cc(Br)cc4ccccc34)CC2)cc1 527186549 HKWIJAXJUNHKLU-UHFFFAOYSA-N 435.321 5.158 30 20 IKED CCN(Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1)[C@@H](C)c1ccc(C#N)cc1 533248144 LLSPLAMGIIRTCR-IBGZPJMESA-N 432.593 5.899 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc4c3CN(c3ccccn3)C4)cc2)cc1 533841225 UZHRCZVQSPPJKI-UHFFFAOYSA-N 446.510 5.712 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1 537897465 QAHVXAKCKHMPJG-DYESRHJHSA-N 447.348 5.064 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)c3cnn(C(C)C)c3n2)cc1 539682053 YPXPMYYRIXDBEI-LJQANCHMSA-N 435.487 5.619 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@H](C)c2ncc(-c3ccccc3)o2)n(C2CCCC2)c1C 541638835 XQFMXQRZWFDRTI-QGZVFWFLSA-N 431.540 5.036 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 542107196 AUVOKHHPIUTOHQ-VQTJNVASSA-N 439.441 5.195 30 20 IKED COc1cc(C)ccc1Oc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cn1 542350470 VVOIFUUSKUPORM-UHFFFAOYSA-N 428.492 5.259 30 20 IKED CC(=O)c1ccc(C#N)c(NCc2ccc(NC(=O)CCCOc3ccccc3)cc2)c1 543449119 CJNHNEIAVHCYAO-UHFFFAOYSA-N 427.504 5.171 30 20 IKED CCc1cccc2c(C3CCN(C(=O)Nc4ccccc4SC[C@H](C)C#N)CC3)c[nH]c12 557583721 VLCHYEURWLQAIX-GOSISDBHSA-N 446.620 6.394 30 20 IKED N#CCCN(C(=O)c1ccc(Br)c(OC(F)(F)F)c1)c1ccc(F)cc1 558715101 FKEMJRBLPWJZIM-UHFFFAOYSA-N 431.183 5.047 30 20 IKED C=C(C)Cn1c(SCC(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)nnc1-c1ccco1 563708443 PBOPCGNBTJEDDD-NJDAHSKKSA-N 448.592 5.001 30 20 IKED CC[C@@H](C)N[C@@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccco1 564337107 GKPMKCJALRLZHV-DVECYGJZSA-N 446.551 5.290 30 20 IKED N#C[C@@H](NC(=O)CCSc1ccccc1Br)c1cccc(C(F)(F)F)c1 575943682 RHIFOUQRWGELJQ-OAHLLOKOSA-N 443.288 5.331 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)ccc21 579049119 HXPVXUCXRNBSPQ-ZDUSSCGKSA-N 440.347 5.540 30 20 IKED CC(C)(C)OC(=O)c1ccc(Br)c(NC(=O)c2cc(C#N)ccc2Cl)c1 581014035 HOCMNQQSBGCVMT-UHFFFAOYSA-N 435.705 5.182 30 20 IKED CCc1ccc([C@@H](C#N)NC(=O)Cc2csc(-c3cc(Br)cs3)n2)cc1 581513905 OCSGAHRJNDPTJS-MRXNPFEDSA-N 446.395 5.120 30 20 IKED CC(C)(CCC#N)CNC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 581935686 ZFXRVYUYOJUHPD-UHFFFAOYSA-N 432.446 5.409 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1 584551129 UJECZFQEYLLNDC-LAUBAEHRSA-N 445.947 5.019 30 20 IKED CCN(Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1)C1CC1 587989043 UZNLQKLNKZWOJY-SFHVURJKSA-N 437.515 5.563 30 20 IKED N#C[C@H](C(=O)c1oc2ccccc2c1COc1ccccc1)c1nc2cc(F)ccc2s1 592973805 HWRMBDQIOGHJAL-GOSISDBHSA-N 442.471 6.251 30 20 IKED CC(C)(C#N)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCCO3)cc1 602757133 FIVBUAYBYBREPV-XMMPIXPASA-N 425.488 5.030 30 20 IKED CCN(CC)CCN(Cc1cccs1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603692319 GTZZZGMFMMVQPU-UHFFFAOYSA-N 449.580 5.183 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CSCc1ccc(C(=O)Nc2ccccc2)cc1 603775941 FNGRWBFMPTVXBI-UHFFFAOYSA-N 435.936 5.336 30 20 IKED C[C@@H]1CCCN(Cc2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2)C1 608804514 MNTHGEBEPUPCEF-LJQANCHMSA-N 429.520 5.214 30 20 IKED COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609046669 IKNIPMLVAADGFM-UPVQGACJSA-N 445.950 6.373 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(C)c1ccc(C#N)cc1F 609217149 XJAZOMSZYBMSEN-ZDUSSCGKSA-N 429.904 5.290 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1csc2nc(-c3ccccc3)cn12 609428589 VDHGTVMCZCDAQT-MRXNPFEDSA-N 432.574 5.638 30 20 IKED Cc1sc2ncnc(SCCC(=O)Nc3ccccc3S[C@@H](C)CC#N)c2c1C 609430643 SGCMNHPHWYNHQU-ZDUSSCGKSA-N 442.635 5.823 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1O[C@H](C)c1ccccc1 609683635 DGZMQPQRFJBKGG-HXUWFJFHSA-N 429.520 5.379 30 20 IKED Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609939204 UQBPBKWNTGQUCN-QFIPXVFZSA-N 443.503 5.020 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(C3CCCC3)CC2)cc1Cl 610016030 ZTTHXABQBSIASJ-QHCPKHFHSA-N 436.987 5.478 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1 610684975 LWXOZHLJLNRBOJ-IRXDYDNUSA-N 442.359 5.472 30 20 IKED O=C(CCOc1ccc(F)cc1Cl)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 611829196 MIDPTHHHJUPMPD-NXEZZACHSA-N 435.767 5.274 30 20 IKED CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)N2CCC[C@](C)(C#N)C2)ccc1Cl 612302381 HDDZSQATLIUWKI-XMMPIXPASA-N 438.959 5.160 30 20 IKED CC(C)(CNC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1F 624236271 DCAPLNISDOERGT-VXGBXAGGSA-N 428.392 5.312 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cnn(Cc2ccccn2)c1)c1ccc(C(F)(F)F)cc1 676755699 VCCPDSYKTMHHNK-HXUWFJFHSA-N 429.446 5.174 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)cc2Cl)[n+]2cccc(C)c2)c1 726573462 FFTURDIIHJSBSA-UHFFFAOYSA-O 440.375 5.894 30 20 IKED COc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)CC3)cc1 727779973 DBPKETCOSIDRNA-LFIBNONCSA-N 437.517 5.057 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(-c2ccc(F)cc2)noc1C 727996700 LDKMZJXVKMGTMR-UHFFFAOYSA-N 441.462 5.801 30 20 IKED C#Cc1cccc(N(Cc2ccco2)C(=O)c2sc(NC(=O)c3ccco3)cc2C)c1 728185568 LLYVHYMDXOBMFU-UHFFFAOYSA-N 430.485 5.323 30 20 IKED CC(C)NC(=O)Nc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728192918 HEKOAGAMLFIMSL-UHFFFAOYSA-N 446.482 5.059 30 20 IKED CCCOc1cn(-c2ccccc2)nc1C(=O)[C@@H](C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 728767063 UEGGMVFORWQFAX-PGRDOPGGSA-N 444.535 5.136 30 20 IKED N#C[C@H](C(=O)COc1ccccc1OCc1ccccc1)c1nc2ccccc2n1C(F)F 730922677 YCVDJCACNNNWBA-GOSISDBHSA-N 447.441 5.266 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cccc(OC(F)(F)F)c2)cs1 730949058 QKNPLKNJGONMLO-FLIBITNWSA-N 446.450 5.931 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 731114310 NKTUYIVDWKQNFB-AOMKIAJQSA-N 427.545 5.055 30 20 IKED N#CCCN(C(=O)CCC(=O)OCc1nc2ccccc2c2ccccc12)c1ccccc1 731253834 DXVUJFXBXLBZIH-UHFFFAOYSA-N 437.499 5.158 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Oc3ccc(NC(=O)c4ccsc4)cc3)cc2)nc1 732074574 YBUZXGZVCDJCGF-UHFFFAOYSA-N 441.468 5.279 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)/C=C\c2cccc(OC3CCCC3)c2)ccc1OC 733232699 XXWAEPVYYHYRJK-KGXYIWNSSA-N 434.536 5.027 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)cc1 734705368 BLPHUJKWTUQFRT-KRWDZBQOSA-N 442.441 5.160 30 20 IKED C=CC[C@H](NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccncc1 735582767 LQJZJLMXHBHJSZ-ILWGZMRPSA-N 446.517 5.100 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 739512307 SRNWNQQOIWCACN-LJQANCHMSA-N 436.265 5.265 30 20 IKED Cc1nc(Cc2ccccc2)sc1[C@H](C)OC(=O)CCc1c(C)nn(CCC#N)c1C 739592632 WFUMBRPSFDOZBX-IBGZPJMESA-N 436.581 5.006 30 20 IKED Cc1ccc(OC2CCN(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CC2)cc1 740060794 XRYGMZWSADPCJQ-UHFFFAOYSA-N 431.561 5.348 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]cc2-c2ccc3c(c2)OCCO3)cc1 742047219 HCDJOPMXQDYRJB-JOCHJYFZSA-N 435.483 5.361 30 20 IKED COc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc(OC)c1OC(F)F 742537470 KLVPPTUEURZKEL-IBGZPJMESA-N 438.430 5.213 30 20 IKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(CCCC(F)(F)F)C2=O)cc1 743737344 CHSGZMGJWUCSKJ-GOSISDBHSA-N 449.498 5.298 30 20 IKED N#Cc1cc(NC(=O)CCSc2ccccc2Br)c(Cl)c([N+](=O)[O-])c1 746486429 QGJUVCNCXJRAEO-UHFFFAOYSA-N 440.706 5.003 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)/C=C/c1ccc(F)cc1 747615654 FIHGZDQYUGIOLP-DHZHZOJOSA-N 430.448 5.263 30 20 IKED C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccc(F)cc1F 752477196 LQAZCLFJUKDCMQ-UZLBHIALSA-N 434.442 5.598 30 20 IKED N#C[C@H](C(=O)Cc1c[nH]c2cccc(Br)c12)c1nc(-c2ccccc2)cs1 754531876 NSXSEZUHIKBMFD-OAHLLOKOSA-N 436.334 5.473 30 20 IKED C[C@H](OC(=O)c1c(F)cc(C#N)cc1F)C(=O)Nc1ccccc1Sc1ccccc1 756595631 DPQUCFAYUBVWNJ-AWEZNQCLSA-N 438.455 5.172 30 20 IKED O=C1CSc2sc(C(=O)/C=C\c3cccc(Br)c3OC(F)F)cc2N1 758027944 YHIDMFCUQIIOBV-PLNGDYQASA-N 446.294 5.052 30 20 IKED N#Cc1cc(NC(=O)[C@@H](Oc2ccc(F)c(F)c2)c2ccccc2)c(Cl)c([N+](=O)[O-])c1 764306298 HXIZCEYEKGWNQL-FQEVSTJZSA-N 443.793 5.157 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)cc1 764856032 YNQBAMOYYJSWKU-QFIPXVFZSA-N 441.314 5.311 30 20 IKED C=CCn1c(-c2cccs2)nn(CN(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1=S 764946292 RFHXMCYQXYIVBO-FPOVZHCZSA-N 440.638 5.386 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)C[C@H](O)c1ccc(F)cc1 766021515 UIIIXCGZRAFITF-CJAUYULYSA-N 447.510 5.219 30 20 IKED C=CC[C@H](N[C@H]1CCCc2nc(-c3ccccc3Br)sc21)c1ccncc1 766022895 YOKKSSSTWTYBCG-OALUTQOASA-N 440.410 6.252 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2c(C)cc(C)cc2Br)ccc1OC 770275720 VFIHEWVMEBBAAL-INIZCTEOSA-N 446.345 5.077 30 20 IKED Cc1ccc([C@@](O)(CC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C(F)(F)F)o1 773334853 TZVHHSXLNGUIFW-NRFANRHFSA-N 430.382 5.031 30 20 IKED CC(C)(C)c1cc(NC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)c(C#N)s1 774165527 REZOHEKMXJGBRS-UHFFFAOYSA-N 425.432 5.280 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 780305571 MARLKZZZTPLAFQ-KRWDZBQOSA-N 431.904 5.578 30 20 IKED Cc1nc(NCC(=O)Nc2ccccc2O[C@@H](C)C#N)c2cc(-c3ccccc3)sc2n1 781036629 QDURHEAVVRFEMU-HNNXBMFYSA-N 443.532 5.008 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)c1 784337237 NWAXUBMOBRMAER-UHFFFAOYSA-N 426.872 5.187 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 788599430 YPFLKAZMOCKKSG-DLBZAZTESA-N 438.553 5.262 30 20 IKED Clc1ccc(CSc2nncn2N=Cc2cnc(-c3ccc(Cl)cc3)s2)cc1 788979978 BYKCFXZNKSMEBZ-UHFFFAOYSA-N 446.388 5.883 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cc(Cl)ccc2C(C)(C)C)ccc1OC 801829136 OSNADELUHXMWAR-KRWDZBQOSA-N 429.948 5.649 30 20 IKED CCOc1cc(/C=C\C(=O)c2cc3c(C)nn(C)c3s2)cc(Br)c1OC 806576972 KJVLQIKJENKBSZ-SREVYHEPSA-N 435.343 5.009 30 20 IKED C=CCn1c(SCC(=O)N2Cc3cccc(Cl)c3C2)nnc1-c1ccc(Cl)cc1 809253140 FENGGGDBHRZWAP-UHFFFAOYSA-N 445.375 5.072 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)s1 813445740 GVDTVCVLDBJWMQ-CYBMUJFWSA-N 440.352 5.421 30 20 IKED CN(CCC#N)c1ccc(/C=C2/SC(=S)N(c3ccccc3C(F)(F)F)C2=O)cc1 814275030 LGWOHXHLNAROOM-QGOAFFKASA-N 447.507 5.461 30 20 IKED Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915087550 VEEGSPAITKWNQD-JOCHJYFZSA-N 426.907 5.742 30 20 IKED CC(=O)Nc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 915102785 HIIPIWQDMMPQCC-QGZVFWFLSA-N 444.343 5.494 30 20 IKED CCOc1ccc(OCCCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917044161 QZHNDPXBNHTMRR-QGZVFWFLSA-N 448.466 5.749 30 20 IKED N#C[C@H](C(=O)c1cnc(S)n1-c1ccc(F)cc1)c1nc2cc(Cl)ccc2s1 917046993 OCNZTMHIOGEUTK-CYBMUJFWSA-N 428.901 5.053 30 20 IKED COc1cc(/C=C2/CCOc3ccc(F)cc3C2=O)cc(Br)c1OC(F)F 917143398 JLXBIXYKGIGQTL-WDZFZDKYSA-N 443.215 5.247 30 20 IKED N#C[C@H](C(=O)c1sc2cccc(F)c2c1COc1ccccc1)c1nc2ccccc2o1 917510211 WSMPQGSSZQHLEZ-MRXNPFEDSA-N 442.471 6.251 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 919825583 OIHWLJLOUSMHLY-UHFFFAOYSA-N 436.924 5.266 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)cc1 919867593 BVMFXWKLESTGSX-NRFANRHFSA-N 441.575 5.781 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 919915624 SYQQBQHNQBPRTR-UHFFFAOYSA-N 440.547 5.922 30 20 IKED COc1ccc(-c2nn(CN(CCC#N)CC(C)C)c(=S)n2C2CCCCC2)cc1 919944534 IIBVSBIBICVHTC-UHFFFAOYSA-N 427.618 5.424 30 20 IKED N#C[C@H](C(=O)CSCc1cccc(Cl)c1)c1nc(-c2c(F)cccc2F)cs1 920803803 DAYWCDPVLJLIRD-CQSZACIVSA-N 434.920 5.851 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cnccc4[nH]3)CCC2)cc1 1785841953 FZKKXNNEPUTUMQ-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccoc4c3)cc2)CCC1 1788484155 ARSDHJQEIHOWCZ-NRFANRHFSA-N 429.520 5.344 30 20 IKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)o1 1790081698 DKRXPMNFCLEJIL-UHFFFAOYSA-N 433.895 5.175 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)CCC1 1790310989 NHIHZOVSYUKZKW-UHFFFAOYSA-N 429.442 5.003 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnc4cc(C)ccn34)cc2)CCC1 1790972544 MGRCLIRCEAGHHC-UHFFFAOYSA-N 444.579 5.383 30 20 IKED Cc1ccc(C)n1-c1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)S)cc3)CCC2)cc1 1791577720 RHSQAXLSVMELTJ-LJQANCHMSA-N 447.604 5.160 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccsc4)CCC3)cc2)c1 1792122968 WKDCAFKWQQFQLM-QGZVFWFLSA-N 429.545 5.437 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)C2)CC1 1805296080 OBANPRLRRSOGIB-PKTZIBPZSA-N 440.603 5.153 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CCCCC2(F)F)n[nH]1 1815350872 LGRFJSULTCIGCL-WMZOPIPTSA-N 436.547 5.220 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2oc3ccccc3c2C)n[nH]1 1818569476 SMCXRYKVQRWCIF-WIYYLYMNSA-N 446.551 5.539 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(Cl)s2)[nH]n1 1819302488 GLBKGDACZXRFMI-SJLPKXTDSA-N 447.004 5.128 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)cnc2Cl)[nH]n1 1819553353 CSDGZZRGDOETNP-SFHVURJKSA-N 443.979 5.065 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2Cl)CC1 1824143132 HYWPVTWYVQRWJD-QHCPKHFHSA-N 429.004 5.342 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sccc2OCC)CC1 1828823296 DOXBJKNJKQUWAP-LEWJYISDSA-N 444.641 5.149 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCCCC2(F)F)CC1 1829068313 PLOVFZZETNWGOG-NHCUHLMSSA-N 438.603 5.424 30 20 IKED Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830722821 RWUJQWVUVPXFGR-XMMPIXPASA-N 449.982 5.067 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 1831449282 XPSMXDBQAJOAQI-CEMLEFRQSA-N 438.603 5.280 30 20 IKED Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)c1Cl 1832603875 WATHZTGMRCXHOA-QHCPKHFHSA-N 449.982 5.067 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2cccc(C)c2)cc1 10167319 NGYSJWYPDORTMO-UHFFFAOYSA-O 448.656 6.192 30 20 IKED N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 11196857 MAOBEKXXWGQIES-UHFFFAOYSA-N 445.935 5.190 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(-c2ccccc2)cc1)[n+]1ccccc1 14871815 YYJSATCZDMKKDL-UHFFFAOYSA-O 437.588 6.254 30 20 IKED C=CCn1c(SCC(=O)c2cc(C)n(-c3nccs3)c2C)nnc1-c1cccc(C)c1 22619504 CFXAHWKTKOAFNN-UHFFFAOYSA-N 449.605 5.279 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nnc1-c1ccoc1C 23519595 QZOCBJZZYKWLAK-GDBMZVCRSA-N 436.537 5.137 30 20 IKED C=CCn1c(SCC(=O)c2cccc(C(F)(F)F)c2)nnc1-c1ccc(OC)cc1 24223230 TUNMUMHLDAULFU-UHFFFAOYSA-N 433.455 5.134 30 20 IKED Cc1occc1C(=O)Nc1cc(NC(=O)c2ccccc2-c2ccccc2C#N)ccc1F 60668336 HAXQPJURBSINLR-UHFFFAOYSA-N 439.446 5.770 30 20 IKED CCc1cccc2c(C(=O)[C@@H](Sc3nc(N)c(C#N)cc3C#N)c3ccccc3)c[nH]c12 60791858 PSOFHNPDMWHMBV-QHCPKHFHSA-N 437.528 5.167 30 20 IKED N#Cc1ccc(CN2CCC3(CC2)Nc2ccccc2C(=O)N3c2cccc(Cl)c2)cc1 195674213 YSJIQMQMSRTDOR-UHFFFAOYSA-N 442.950 5.276 30 20 IKED CCc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cnn1CCC(C)C 427281370 ATEYDBICFSTVIV-UHFFFAOYSA-N 430.552 5.389 30 20 IKED C=CCC[C@H](NC(=O)NCc1ccc(OC)c(NC(C)=O)c1)c1ccc(C(F)(F)F)cc1 429074725 BTEHHOHCMXFRKW-IBGZPJMESA-N 449.473 5.179 30 20 IKED N#C[C@H]1CC[C@H](Sc2nnc(CNc3cccc(C(F)(F)F)c3)n2C2CCCCC2)C1 430096473 GIPMABQXUTXAMN-KXBFYZLASA-N 449.546 6.199 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)s1 430612460 RMSMXUSOBSZHKU-HNNXBMFYSA-N 435.471 5.076 30 20 IKED C=CCC[C@H](Nc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl)c1ccccc1 434946241 HZAZITOWLLHSHJ-INIZCTEOSA-N 434.849 5.419 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C[C@H]2CCCO2)C2CCC(C)CC2)cc1 437848346 NQAVLGBUPKPPGY-VZYOYLOZSA-N 439.600 5.092 30 20 IKED C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CCN1C 438542827 VZYDLIPBHTYKTG-KXBFYZLASA-N 446.473 5.316 30 20 IKED COc1ccc2c(c1)CCN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1C)CC2 439223566 NSDWPLVVOPMHIA-UHFFFAOYSA-N 427.504 5.300 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 442522653 QSOJBQLECWXCKM-OALUTQOASA-N 435.593 5.036 30 20 IKED Cc1ccccc1-n1ncc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1C(F)(F)F 443886293 SARZAENQYAZXPQ-UHFFFAOYSA-N 438.331 5.342 30 20 IKED Cc1nc([C@H](NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c2ccccc2F)no1 444390229 TYMUZDVWXJBGBW-JOCHJYFZSA-N 443.438 5.092 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(Cl)cc2Br)c1C#N 445556853 INNZNSRGQYMBDQ-UHFFFAOYSA-N 447.745 5.134 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c1 464412403 RYHQQBMARGITIY-KRWDZBQOSA-N 441.796 5.908 30 20 IKED Cc1cccc([C@@H](NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C(C)(C)C)c1 470534091 XVLAOGDPGCSJDY-XMMPIXPASA-N 432.568 5.487 30 20 IKED Cc1c(C#N)c(NC(=O)CCN2CCCCC[C@@H]2c2ccco2)n(Cc2ccco2)c1C 472240535 KKDKZWYIVOMIEQ-JOCHJYFZSA-N 434.540 5.157 30 20 IKED Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c(-c2nc(C3CC3)no2)c1 472836465 PDVHSDUESYFHGI-UHFFFAOYSA-N 429.524 5.484 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccccc3-c3cc(F)c(F)c(F)c3)cc2)nc1 474742650 KZURZSANMRRWDE-UHFFFAOYSA-N 445.400 6.082 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cnc(Cc4ccccc4F)s3)s2)cc1 476003221 NAUPMXQPUXUCOD-UHFFFAOYSA-N 434.521 5.044 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCOC4(CCCCCC4)C3)c2)cc1 478233685 NRCWICOBIQQOOL-UHFFFAOYSA-N 433.552 5.289 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cccnc1OCC(F)F 483092762 YQPHWPHFOKLFRH-UHFFFAOYSA-N 438.434 5.020 30 20 IKED C=C(C)[C@H](NC(=O)N[C@H](C)[C@@H](OC1CCOCC1)c1ccccc1)c1ccc(F)c(F)c1 483199956 OKJKKAQNYQUANR-GAZXMLTASA-N 444.522 5.207 30 20 IKED Cc1c([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)oc2ccccc12 484410653 DXPLHOCBCOVCHW-QGZVFWFLSA-N 439.471 5.221 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3F)s2)nc2sccc2c1=O 484499500 JHKDOCXUZDPQSK-LLVKDONJSA-N 430.555 5.155 30 20 IKED CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 488538428 DKICKPJYCOWOKY-UHFFFAOYSA-N 434.477 5.327 30 20 IKED N#Cc1ccc(CSc2nnc(-c3ccccn3)n2-c2ccccc2)c(OC(F)F)c1 489390006 KTBBBXAJMHGUQW-UHFFFAOYSA-N 435.459 5.095 30 20 IKED O=C(Nc1cc(F)cc(Br)c1F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 490514797 SIVCVHZTBAVRHX-UHFFFAOYSA-N 441.116 5.076 30 20 IKED N#CCCN(C(=O)c1ccc(CSc2ccccc2)cc1)c1ccc2c(c1)OCCO2 497891323 ZJLQWUPSMGRQSO-UHFFFAOYSA-N 430.529 5.311 30 20 IKED N#Cc1cc(C(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)cnc1C(F)(F)F 498771547 SVFXMVGXXHJOBH-UHFFFAOYSA-N 426.225 5.208 30 20 IKED Cc1cccc([C@H](NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)c2ccccn2)c1 498991459 OMEPNHYSVYGXCC-JGZAQREWSA-N 440.547 5.041 30 20 IKED N#CCCCOc1cccc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)c1 499723511 FVFASFRSEDJAEV-UHFFFAOYSA-N 444.516 5.450 30 20 IKED CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)Cc2ccc(C#N)cc2)ccc1Cl 505064806 HHTYZGVHNMMOEJ-UHFFFAOYSA-N 431.923 5.055 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc3cnn(C(C)C)c3nc2C)cc1 505703313 NOHMWYKFMAHSKF-UHFFFAOYSA-N 441.491 5.246 30 20 IKED O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 505978686 GSUPDYGHROOMJY-UHFFFAOYSA-N 446.366 5.393 30 20 IKED C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)[C@H](C)c1ccc(Cl)cc1Cl 506911081 PPOWZOILWQLONA-GFCCVEGCSA-N 440.327 5.112 30 20 IKED C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@@H](c2ccsc2)C1 508864367 OCQHXIBSGVMMDC-LJQANCHMSA-N 449.605 5.202 30 20 IKED CC[C@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1cccc(Cl)c1 510251921 FXAHUCHCXZMHCR-KRWDZBQOSA-N 443.985 5.628 30 20 IKED Cc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C(C)C)cc1 511557684 VGUCDTJTZYQTMM-RUZDIDTESA-N 441.531 5.361 30 20 IKED CN1CCC[C@H](CNC(=O)c2cc(C#N)ccc2Cl)[C@H]1c1ccc(C(F)(F)F)cc1 512744889 SUQLBKVAIGDZRQ-OXQOHEQNSA-N 435.877 5.043 30 20 IKED C=CCOc1c(Br)cc(CN[C@H](C)c2cc(F)ccc2OC)cc1OCC 512817695 WGODMIMYGNVLPZ-CQSZACIVSA-N 438.337 5.411 30 20 IKED CCC(=O)Nc1ccc(C)c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 513980077 NPLRPFLYXVPXMX-UHFFFAOYSA-N 444.510 5.589 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 514534126 WNJSTARMTILULS-UHFFFAOYSA-N 439.968 5.606 30 20 IKED COc1ccccc1Nc1nc2sc(C(=O)N(C)Cc3ccc(C#N)cc3)cc2s1 515554284 UMHCKYCSMOEMTN-UHFFFAOYSA-N 434.546 5.254 30 20 IKED COc1cc(C#N)ccc1OCC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 516142764 YYZFTHYOCURKQU-QHCPKHFHSA-N 441.314 5.158 30 20 IKED C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)Nc1ccccc1SCCC#N 518159729 YHUKQKUXJNVQAV-CYBMUJFWSA-N 436.364 5.157 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(COCc2ccccc2)cc1 518168453 HAQAEFCIYJJQCG-FQEVSTJZSA-N 445.588 5.977 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cnn(-c2cccc(Br)c2)c1 519516499 MSJBBQHJLMYCBD-CQSZACIVSA-N 441.354 5.281 30 20 IKED C=CCn1c(SCc2nc(-c3ccoc3C)no2)nnc1-c1ccc(Cl)cc1Cl 519572882 OTNGQBXQQLYVAJ-UHFFFAOYSA-N 448.335 5.682 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 520328026 GTLCAUDSIXJVLQ-UHFFFAOYSA-N 427.460 5.282 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 520964696 LXXDBJUZOHKXJI-UHFFFAOYSA-N 439.902 6.105 30 20 IKED CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1 521243849 BGQXAOFBNDUNFH-UHFFFAOYSA-N 431.467 5.270 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc1 521743637 WRCJVKLNYQMSPR-RUZDIDTESA-N 436.515 6.591 30 20 IKED C=CCOc1ccccc1CNC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 521965614 SSKHNSFTCSEUSS-MRXNPFEDSA-N 442.968 5.498 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N(Cc2cscn2)c2ccccc2)c1 524568946 ICWBMPDXZMBSFB-UHFFFAOYSA-N 425.513 5.441 30 20 IKED CC(C)C[C@@H]1CCCCCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 524623539 FTQDLWUQSVOKMW-SFHVURJKSA-N 429.615 5.525 30 20 IKED C[C@@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 525504924 YJMCUNRUBCEPNV-QGZVFWFLSA-N 435.911 5.419 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1 527093773 UZBLSNOJRQLKBB-FQEVSTJZSA-N 443.572 5.106 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)NCc2nc(-c3cccs3)no2)cc1Cl 534213703 WYCGOJPIXYVDPK-UHFFFAOYSA-N 436.880 5.045 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)Nc1cccc2c1CN(c1ccccn1)C2 534568211 HJTGTSVQMMULNP-QGZVFWFLSA-N 429.549 5.498 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 535702462 XCZZLPYPOAKFKP-UHFFFAOYSA-N 447.244 5.277 30 20 IKED N#CC1(c2ccc(C(=O)Nc3cccc(CNC(=O)Nc4ccccc4Cl)c3)cc2)CC1 538570970 KMFVZSMOQUGJOW-UHFFFAOYSA-N 444.922 5.469 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 539134864 IEQNRBLBGJHNCR-UHFFFAOYSA-N 446.469 5.151 30 20 IKED CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(C2(C#N)CC2)cc1 540786143 JSHHAGKEWUNOQR-UHFFFAOYSA-N 430.335 5.039 30 20 IKED Cc1csc(Sc2ccc(NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)c(C)c2)n1 542376379 PYFSYJYGMKHSMY-UHFFFAOYSA-N 434.590 5.979 30 20 IKED CCS(=O)(=O)c1ccc2oc(CN[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)nc2c1 543874828 SCTFZHYTYYZRKI-QGZVFWFLSA-N 445.544 5.011 30 20 IKED C[C@H](NC(=O)N1CCC(OC[C@H]2CCCCO2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 543942405 JOBSGWOWXJBKMJ-RXFWQSSRSA-N 447.579 5.046 30 20 IKED CC(C)(C)c1csc(NC(=O)C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)c1C#N 555847385 KXNBRKDYUJBPDB-UHFFFAOYSA-N 449.498 5.066 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccccn2)c1C(F)(F)F)c1nc2cc(Cl)ccc2s1 556057541 JLIVVKXHSZJRIE-LLVKDONJSA-N 447.829 5.039 30 20 IKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)N(Cc2ccccc2)c2ccccc2C#N)cc1 557723634 MHVQHXGJUCUUFS-HXUWFJFHSA-N 443.572 5.160 30 20 IKED FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1noc([C@@H]2CC[C@@H](C(F)(F)F)C2)n1 558386463 MCWUJIMKDDCKME-HTQZYQBOSA-N 449.273 5.538 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 558994568 HDXYAPYWWMMEFT-MHZLTWQESA-N 437.547 5.095 30 20 IKED C[C@H](Sc1nc(-c2ccco2)nc2ccccc12)C(=O)N(CCC#N)c1ccccc1 561161156 RCJTVSNCWCPQLZ-KRWDZBQOSA-N 428.517 5.317 30 20 IKED COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)Sc2cccc(F)c2C#N)cc1 564035676 YGPKRVREXFKSOF-OAHLLOKOSA-N 449.507 5.078 30 20 IKED C[C@H](Sc1ccccc1)c1ccc(NC(=O)N2CCN(c3cnccc3C#N)CC2)cc1 569306911 VDBXOXOHIVERRU-IBGZPJMESA-N 443.576 5.161 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1nc2ccccc2n1C(F)F 603691282 MLJAYLNARLKWNA-AWEZNQCLSA-N 448.433 5.373 30 20 IKED Cc1ccc(-c2nnc([C@H](C)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)o2)cc1 604047331 OMTDVZBYARVKCG-INIZCTEOSA-N 430.895 6.536 30 20 IKED CC(=O)Nc1cccc2c1CCN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1C)C2 604365129 WFXOBRGIEBNQNX-UHFFFAOYSA-N 440.503 5.208 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c[nH]cc1-c1ccc(Cl)s1 608876640 QKTIMDJKYLLUIF-UHFFFAOYSA-N 434.908 6.016 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc4nc(N5CCCC5)sc4c3)o2)cc1 609069734 FEKGEKVABDXCKB-UHFFFAOYSA-N 444.516 5.192 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCc3nc4ccccc4s3)cc2Cl)c1 609081074 ZOLMKJZIFQPQSM-UHFFFAOYSA-N 448.935 5.722 30 20 IKED N#C[C@H](NC(=O)CCc1ccc(-c2ccccc2)[nH]1)c1ccc(OCc2ccccc2)cc1 609172722 APPXBBZRLQXKAK-MHZLTWQESA-N 435.527 5.574 30 20 IKED N#Cc1c(NC(=O)c2cnn(-c3cccc(Br)c3)c2)sc2c1CCCCC2 609297474 KQTRAMDVLSLSEO-UHFFFAOYSA-N 441.354 5.089 30 20 IKED COCCCN(Cc1ccncc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 609317927 CLIZLZDPTDUKDJ-UHFFFAOYSA-N 430.508 5.125 30 20 IKED CCN(CC)C(=O)Cc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 609499692 NYXMGWCARMPRJN-UHFFFAOYSA-N 441.531 5.208 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 609682792 UCVNJWDVFKHHKU-NVXWUHKLSA-N 448.514 5.500 30 20 IKED Cc1ccc(Cn2nccc2NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)o1 609732867 NELTWZDUFPNMOY-UHFFFAOYSA-N 432.867 5.403 30 20 IKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ncc(-c2ccccc2)o1 610068845 XHHXSJWTBNIYSG-SFHVURJKSA-N 439.540 5.997 30 20 IKED CC(C)(C)Cc1nc(-c2cccc(C(=O)Nc3cc(C#N)ccc3OC(F)F)c2)no1 610174028 CNDSZGNBDUSSOJ-UHFFFAOYSA-N 426.423 5.051 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)C1CCN(Cc2ccccc2)CC1 610231102 ZOWMSDZCTMZJOW-UHFFFAOYSA-N 443.978 5.657 30 20 IKED N#Cc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1C(F)(F)F 610331208 DUIUETICQIAKNH-UWVGGRQHSA-N 433.274 5.172 30 20 IKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)cc12 613291266 XXABQIOIRHECEJ-KRWDZBQOSA-N 442.931 6.087 30 20 IKED N#C[C@H](C(=O)c1cc(C2CC2)nn1-c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 613319289 BMMDTHDZLJCFFU-LJQANCHMSA-N 444.947 6.017 30 20 IKED CC(C)NC(=O)Nc1ccccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 613320411 YANHYBWMYXYIRG-QGZVFWFLSA-N 438.940 5.483 30 20 IKED C=CCN(C(=O)CCc1nc(-c2ccc(F)c(C)c2)no1)c1nc(-c2ccccc2)cs1 615921535 SAGAJVQZPLUNMP-UHFFFAOYSA-N 448.523 5.459 30 20 IKED Cn1c(C(=O)N2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc2cc(C(F)(F)F)ccc21 674460009 AKKLYFFRQKHHGG-PHIMTYICSA-N 432.286 5.010 30 20 IKED Cc1c(N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)nn2c(C(F)(F)F)nnc2c1C 676412092 YIERAJPOFAQWKA-MYJAWHEDSA-N 449.321 5.081 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N[C@@H]1CCCc2ccc(F)cc21 684363441 QMMKLJCCVOIEIZ-MQIPJXDCSA-N 426.376 5.412 30 20 IKED COc1ccc(-c2ocnc2C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 685143466 CGLUJXSFYBFFKS-CQSZACIVSA-N 437.427 5.242 30 20 IKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(C(C)C)cc2)cc1 726570495 BLGZSJXOGJLOMS-UHFFFAOYSA-O 448.999 6.254 30 20 IKED C=CCn1c(COc2ccccc2F)nn(CN(C)C[C@H](C)c2ccccc2)c1=S 727428579 PXULQWLUSOIHED-SFHVURJKSA-N 426.561 5.011 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1ccccc1Cl 728061797 BLUSRROWOMTTBM-HNNXBMFYSA-N 440.330 5.883 30 20 IKED Cc1cc(C)cc(-n2c(C)cc(C(=O)Cn3cc(C#N)c(=O)c4cc(Cl)ccc43)c2C)c1 728704325 DTQFZWOKODOOIX-UHFFFAOYSA-N 443.934 5.434 30 20 IKED N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 729889539 PLLOZWNUBZQTGA-LLVKDONJSA-N 429.756 5.633 30 20 IKED COc1ccc(-c2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c(F)c2)c(F)c1 730990010 RBOYCIAXJJVMOY-OAHLLOKOSA-N 438.499 6.144 30 20 IKED C[C@@H](c1ccccc1)n1c(SCc2ccc(OCC#N)cc2)nnc1-c1ccccc1 731158219 XMTVEQKJMKWEDL-IBGZPJMESA-N 426.545 5.749 30 20 IKED N#Cc1ccc(OCCCN2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)cc1 731669936 ZCASGDMZWFHQID-UHFFFAOYSA-N 426.520 5.029 30 20 IKED Cc1csc(Sc2c(Cl)cccc2NC(=O)Cc2ccc(OCC#N)cc2)n1 731982594 WOGLGVYTZRWLFR-UHFFFAOYSA-N 429.954 5.340 30 20 IKED CN(C)c1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)Nc2ccc(C#N)cn2)cc1 731988658 ACJZNEPWAKPXGQ-HMMYKYKNSA-N 445.526 5.307 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)[C@@H](O)c1ccc(F)cc1 732426955 OSRINIAHIKYQEH-RCDICMHDSA-N 439.874 5.387 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(CC)[C@H](C)c2cccc(C(F)(F)F)c2)c1 733804811 MRNLPYWDFKIOAQ-UZLBHIALSA-N 433.474 5.679 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H]2c2cccc(Br)c2)c1 733806438 ZKTYHJBHDIURIG-CTNGQTDRSA-N 442.357 5.177 30 20 IKED O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)s1)c1ccc(N2CCC(O)CC2)cc1 734235076 IZPNISFEATYDIM-CSKARUKUSA-N 434.517 5.181 30 20 IKED CC(C)OC(=O)NCc1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1 735027610 PTXJLTHQYTYTJG-UHFFFAOYSA-N 443.503 5.024 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H](O)c2c(F)cccc2Cl)cc1 741291020 NQHQQLDASHMSKF-FQEVSTJZSA-N 440.927 5.106 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1nc2cc(Cl)ccc2s1 741430331 KEBPGRDMPAAUCQ-BFHYXJOUSA-N 436.842 5.828 30 20 IKED O=C(/C=C/c1ncc(-c2cccc(Br)c2)[nH]1)c1cccc(-c2ccncc2)c1 741471183 XDLMPPMDZMYMPE-BQYQJAHWSA-N 430.305 5.797 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\Oc3cc(Cl)cc(Cl)c3C2=O)cs1 742435862 DNACINUGFUNBBI-IUXPMGMMSA-N 449.290 5.890 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(C(=O)N(C)CC(C)(C)C)c2)cc1 744032704 IEQQZTHNAOZWRP-FDDCHVKYSA-N 447.579 5.279 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@@]12CCCc1ccccc12)c1nc2cc(C(F)(F)F)ccc2s1 744038409 UFPLHIGEODLONJ-ZDPZECHZSA-N 426.463 5.786 30 20 IKED CCOC(=O)CCOc1ccc(C(=O)/C=C\c2csc(-c3ccc(F)cc3)n2)cc1 745020431 IYYOIZWNFFXTEI-XFXZXTDPSA-N 425.481 5.177 30 20 IKED C=CCc1cc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc(OC)c1OC 747976123 QTQGMVBRUMQCGS-XMMPIXPASA-N 441.531 5.409 30 20 IKED CCOc1cccc([C@@H](CC)OC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 750752847 QPBUGFZDBKOKTN-OAQYLSRUSA-N 449.507 5.116 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 755673897 LUDRINGOMMKDBP-UHFFFAOYSA-N 443.503 5.879 30 20 IKED C#CC[C@@H](NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1)c1ccccc1 757770732 BXWSVIUZBOPCIK-DHIUTWEWSA-N 427.548 6.076 30 20 IKED C=C[C@H](CC(=O)OCc1csc(N(C(C)=O)c2cccc(C)c2C)n1)c1ccccc1 758919732 HTKNQXCMVRSOSN-HXUWFJFHSA-N 434.561 5.848 30 20 IKED C[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1ccc(Cl)c2ccccc12 765066360 FOJZIXDRUQGMBL-MGPUTAFESA-N 426.907 5.381 30 20 IKED CC(=O)N(c1nc(COC(=O)/C=C\c2ccccc2C#N)cs1)c1ccc(C)cc1C 775080362 BPYUEDHHURCXAL-LUAWRHEFSA-N 431.517 5.073 30 20 IKED Cc1nc(C2CCCCC2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 775227921 QWSXCZAOAUDUQV-MRXNPFEDSA-N 449.548 5.775 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 780152468 SBJMISRISPAIMZ-OAHLLOKOSA-N 432.867 5.329 30 20 IKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1ccccc1O[C@H](C)C#N 780671354 UJNLKHUVWWAXDR-OAHLLOKOSA-N 439.903 5.125 30 20 IKED O=C(CN[C@H](c1cccc(F)c1F)C(F)(F)F)Nc1ccc(SC(F)F)cc1 784315595 BFYCKESTZUTEGZ-OAHLLOKOSA-N 426.357 5.111 30 20 IKED COc1ccc2c(c1)C(=O)/C(=C/c1csc(N(C(C)=O)c3ccc(C)cc3)n1)CS2 786053759 VJSIQCJTFRFPGG-MHWRWJLKSA-N 436.558 5.517 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1Cl 787048707 HAVNCYOWBBTTAW-ZUZCIYMTSA-N 429.225 5.212 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(COc2ccc(Cl)nc2)CC1 788598679 HOJLJUJFDBQGOM-INIZCTEOSA-N 444.988 5.310 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CC(=O)c2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 789349684 ZWKSHOHAAUJBDP-CVEARBPZSA-N 427.312 5.663 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2cccc(Cl)n2)cs1 793173462 AJICNEKQIXLEIK-UHFFFAOYSA-N 439.850 5.341 30 20 IKED C=C(C)CN(Cc1ccccc1)Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S 794650727 LRUKEKMGNKUURL-UHFFFAOYSA-N 431.565 5.153 30 20 IKED COc1ccc2c(c1F)C/C(=C/c1csc(N(C(C)=O)c3ccc(F)cc3F)n1)C2=O 809156851 NSWCKCYUVDPIIX-GHXNOFRVSA-N 444.434 5.076 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\Oc3c(C)cc(Cl)cc3C2=O)cs1 811697441 KRUDOOQZTTWIQO-NVMNQCDNSA-N 445.327 6.059 30 20 IKED COc1ccc(-n2c(-c3ccccc3)nn(CN(C)Cc3cccc(C#N)c3)c2=S)cc1 914783401 JOULNJJGZZLTSK-UHFFFAOYSA-N 441.560 5.040 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)ccc1OCc1ccccc1 915107929 YGSHBWBETDDNAJ-SFHVURJKSA-N 447.441 5.509 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(Oc2ccccc2)cc1 916884204 SOCDAGNNRLNLLB-HXUWFJFHSA-N 438.455 5.755 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(SC(F)F)cc1 916886529 HOZCAJYGDDZZEX-CQSZACIVSA-N 428.432 5.277 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(OCc2ccccc2)cc1 916903856 XFIKFLRVBDCORR-HXUWFJFHSA-N 448.906 5.197 30 20 IKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 917045406 ZDQBJLOCXYOCOI-XJKSGUPXSA-N 443.981 5.195 30 20 IKED Cn1ccnc1COc1ccc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 917517554 HWLRVSDTVYOTHU-BENRWUELSA-N 445.500 5.532 30 20 IKED CC(C)(C)c1ccc(C(=O)Nc2ccc(OC(=O)c3ccccc3OCC#N)cc2)cc1 919840483 WLSQHGCQHKTTSD-UHFFFAOYSA-N 428.488 5.358 30 20 IKED CC(=O)N(c1nc(/C=C2/COc3c(C)cc(C)cc3C2=O)cs1)c1ccc(F)cc1F 920069678 ZWIGSHMCSFANMJ-NVNXTCNLSA-N 440.471 5.381 30 20 IKED Cc1ccc(C)c2c(C)c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)oc12 920108300 TWSBBBGIBSCQPL-MRXNPFEDSA-N 428.460 5.634 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4cccc(C)c4)n3)n2)cc1 920143512 RBJWVKOGLRMPRX-FQEVSTJZSA-N 445.569 5.670 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnc(O)c(C(F)(F)F)c2)cc1Cl 1136221242 ZOHDQYRLGMFKTC-INIZCTEOSA-N 431.801 5.367 30 20 IKED Cc1ccc(-c2ncccc2C(=O)Nc2ccc(C3(NC(=O)CCC#N)CCC3)cc2)cc1 1788360136 UICRYXZLWRWNOL-UHFFFAOYSA-N 438.531 5.109 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3ccncc3-c3ccccc3)cc2)CCC1 1789932309 GZVYRYIUYPRQDM-UHFFFAOYSA-N 438.531 5.046 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C3CC3)cc2)[C@H]1c1cccnc1 1810175060 SCIZOLKVVQDWPF-NXCFDTQHSA-N 443.591 5.047 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2ccccc2C)[C@@H]1c1cccnc1 1812747002 HSBUGUCXZBAFSF-AHWVRZQESA-N 447.623 5.021 30 20 IKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1823422063 LKFANHCPEWABTN-NRFANRHFSA-N 440.503 5.028 30 20 IKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)CC1 1830422675 XGURODLWPMQCBW-JTHBVZDNSA-N 436.706 5.167 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 1832023651 ZWDZLSMWMOYWDX-ISJGIBHGSA-N 436.640 5.402 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(OC)c2F)CC1 1832752593 IRANZQDFBQESGN-NRFANRHFSA-N 444.591 5.060 30 20 IKED Cc1cccc(N/C(S)=C(\C(=O)c2cc(C)sc2C)[n+]2ccc(C(C)(C)C)cc2)c1 10167594 WHSXXCXIEVITTA-UHFFFAOYSA-O 437.654 6.309 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2c(C)cc(C)cc2Cl)[n+]2cccc(C)c2)cc1 15248413 IWRVLIXIDCRTEC-UHFFFAOYSA-O 438.016 6.166 30 20 IKED C[C@@H](Sc1ncnc2cc(-c3ccc(F)cc3)sc12)C(=O)Nc1ccccc1C#N 21329656 CBLGONWRHUNFOU-CYBMUJFWSA-N 434.521 5.488 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2cccc(Cl)c2C)cc1 22728278 BYINMVWNASRZIF-UHFFFAOYSA-O 430.018 5.919 30 20 IKED CC(=O)N(c1nc(COC(=O)c2cccc(C#N)c2)cs1)c1c(C)cc(C)cc1Cl 25044826 XDSDDKIGCKPBGA-UHFFFAOYSA-N 439.924 5.327 30 20 IKED Cc1csc(Sc2ccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2[N+](=O)[O-])n1 25437748 ZXIYGZWWYIQZGZ-UHFFFAOYSA-N 438.534 5.564 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cc(Br)ccc3Cl)c2)c1 32291910 KHWZIUTYPZVGOJ-UHFFFAOYSA-N 441.712 5.805 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N(C)Cc3ccc(C#N)cc3)cc12 32614345 GBBDNLDIHZHLCR-UHFFFAOYSA-N 434.952 5.252 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCCOc3ccc(F)cc32)cc1 65418976 MGLXOMONWKHSOR-QFIPXVFZSA-N 432.520 5.633 30 20 IKED Cc1ccc(C(=O)CCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1C 108692109 AJEFSDMAMHGIEJ-UHFFFAOYSA-N 426.516 5.550 30 20 IKED C=CCN(C(=O)c1csc(C2CC2)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 195747495 BVERMCXVNOUQQG-UHFFFAOYSA-N 436.389 6.284 30 20 IKED CN(Cc1ccccc1N1CCCC1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 302763487 MZRPOQLENLGTRB-UHFFFAOYSA-N 441.600 5.723 30 20 IKED C[C@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@H](c2ccccc2)O1 409782931 ZZGOQBVROHLFCW-RXFWQSSRSA-N 441.531 5.326 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(Br)c1F 428196015 JBABEKJYDIMRHH-UHFFFAOYSA-N 426.245 5.208 30 20 IKED O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 435615072 HZHASKKPKVAWAF-VIFPVBQESA-N 441.372 5.731 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C)c1ccccc1 435747513 IXKDYEKWZGQSQI-QHCPKHFHSA-N 441.531 5.010 30 20 IKED COc1cccc(-c2noc([C@H](C)NC(=O)Nc3ccccc3S[C@@H](C)CC#N)n2)c1 438070552 FCHCDTIBIHZXQR-GJZGRUSLSA-N 437.525 5.022 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2coc(-c3ccccc3)n2)cc1 438188058 QNUQNIRJIRXLQX-UHFFFAOYSA-N 440.459 5.336 30 20 IKED N#CC1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccc3ccccc3c2)CC1 441151798 VQFNPZBJTBCIKB-HPPZNPCLSA-N 443.591 5.059 30 20 IKED C=CCC[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(C(F)(F)F)cc1 441589509 LYKACMBHBQIBLE-NRFANRHFSA-N 430.470 5.265 30 20 IKED C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 442520280 ZSLNPORYUNLKGU-HXUWFJFHSA-N 441.531 5.194 30 20 IKED CCO[C@@H](C)c1nc(CN2CCN(Cc3ccc(-c4ccccc4C#N)cc3)CC2)cs1 444233231 BOBCTEGIZKGOGI-FQEVSTJZSA-N 446.620 5.097 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc2nc(C)[nH]c2c1 460448829 NQQCGIOPMIJSIP-UHFFFAOYSA-N 425.945 5.174 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@H]2CC[C@H]1c1ccccc12 460797527 UMNNQDNIMLODCU-VQPAQMSKSA-N 426.564 5.538 30 20 IKED C=CC[C@@H]1N(c2nnc(-c3cccc4cccnc34)n2C[C@@H]2CCOC2)CCCC1(C)C 461549071 GVMWEDMIKMMUPD-UGKGYDQZSA-N 431.584 5.101 30 20 IKED CSc1cccc([C@H](NCC(=O)N(C)C2(C#N)CCCCC2)c2ccc(F)c(F)c2)c1 462184205 BCMMUTQUFUVMRN-QHCPKHFHSA-N 443.563 5.051 30 20 IKED Cc1cc(C)c2ncc(C#N)c(N3CCC[C@@H](c4nc(-c5ccc(F)cc5)no4)C3)c2c1 462800930 HBYLGZFWBAXIHK-GOSISDBHSA-N 427.483 5.296 30 20 IKED Cc1c(C(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)ccc(C(F)(F)F)c1F 464724211 FOASDFOXZULIPU-UHFFFAOYSA-N 449.301 5.749 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3cncc(-c4ccccc4)c3)s2)cc1 466397403 DJQYKJYCWRPKGR-UHFFFAOYSA-N 429.530 5.016 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)o1 472276840 NVDBAEZWTHLPEP-XMMPIXPASA-N 443.890 5.298 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cnn(CCC(F)(F)F)c1 474274592 MUQSQDLTQKSTNB-CYBMUJFWSA-N 447.301 5.278 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cc(Cl)ccc1NCc1ccccc1 477746127 TXYYDTZDOXWEFX-UHFFFAOYSA-N 435.959 5.250 30 20 IKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-c2cncnc2)cc1F 478024572 BSHIMMBBVKNZEJ-UHFFFAOYSA-N 429.295 5.573 30 20 IKED Cn1cnnc1Sc1ccccc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 480553690 LUVALDWABCWMQY-UHFFFAOYSA-N 443.557 5.241 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCCC[C@H]3c3nc4ccccc4o3)cc2)c1 480576160 GENVMIBLJRRUIC-QHCPKHFHSA-N 438.487 6.251 30 20 IKED O=C(N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)N1CCC[C@H](C(F)(F)F)C1 482329142 GGOTYLKMYPSJTJ-CMPLNLGQSA-N 438.290 5.173 30 20 IKED N#C[C@@H](C(=O)c1cc(Br)cc(Br)c1)c1nccc2ccccc12 483234058 KGPXHVKHWADCKX-MRXNPFEDSA-N 430.099 5.250 30 20 IKED CC(C)(C#N)c1ccccc1CNC1(c2ccc(OCc3ccccc3)cc2)CCOCC1 486775308 AXPCPJAYJOIIPL-UHFFFAOYSA-N 440.587 5.862 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N3c4ccccc4CC[C@@H]3C)o2)cc1 489739467 DOJJSWIYADUEGD-DLBZAZTESA-N 435.549 5.150 30 20 IKED C[C@]12CCN(C(=O)N[C@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)C[C@H]1C2(F)F 490175851 IDMVPFGHARQBGN-NFAWXSAZSA-N 430.339 5.386 30 20 IKED Cc1ccccc1-c1noc([C@@H](C)S(=O)(=O)Cc2ccc(-c3ccccc3C#N)cc2)n1 494726372 GHHUXKORVFKQFH-GOSISDBHSA-N 443.528 5.260 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCOCC(F)(F)C(F)F)cc2Cl)c1 497020398 VDUJYNZLFKESBD-UHFFFAOYSA-N 444.812 5.036 30 20 IKED C=CCN(C(=O)c1cnc(-c2ccco2)s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 504473380 HSHYKDCBXGGBTK-UHFFFAOYSA-N 438.490 5.268 30 20 IKED CC(C)CCN(CCC#N)C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 505180675 WHZFNGLJBMGWQN-UHFFFAOYSA-N 442.357 5.103 30 20 IKED C[C@@H](Nc1ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1Cl)c1ccccc1 505970889 OUEDTTYKAYTYAX-GYCJOSAFSA-N 441.959 5.713 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 508148944 PDTPRNQXKZYPIM-UHFFFAOYSA-N 439.515 5.005 30 20 IKED Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 511578723 IMYOVOVFYRXMQM-SANMLTNESA-N 425.532 6.009 30 20 IKED C=CCn1c(SCC(=O)N2CCC[C@]3(CC=CCC3)C2)nnc1-c1ccc(Cl)cc1 511761317 LNMUJWOCVQXZKE-HSZRJFAPSA-N 443.016 5.226 30 20 IKED CC(C)c1ccccc1-n1c(Sc2ccc([N+](=O)[O-])cc2C#N)nnc1-c1cccnc1 514730706 QIDJDDOPUIZVOD-UHFFFAOYSA-N 442.504 5.384 30 20 IKED CCOc1cc(NC(=O)c2cccc(CC#N)c2)c(OCC)cc1NC(=O)c1ccccc1 515283799 SENPVKFJGKYCJU-UHFFFAOYSA-N 443.503 5.055 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1nc(-c2cccs2)no1 517450790 OKIKGJGPJHWNKV-ZIAGYGMSSA-N 444.607 5.483 30 20 IKED Cc1ccc(OCc2nc(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)cs2)cc1 518240372 XGHNYXUDIHRGTN-KRWDZBQOSA-N 437.590 5.606 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1coc(-c2cccs2)n1 518665384 CHHFRCQHGTWCGD-AWEZNQCLSA-N 429.592 5.669 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CN(C)[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 519903735 WOUIICVODHCSPH-KRWDZBQOSA-N 433.474 5.044 30 20 IKED COc1ccc(OC)c(CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C2CC2)c1 520321841 KYFBANJMSSFSCC-UHFFFAOYSA-N 442.515 5.367 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 520942845 QJQFJEYALDRCPG-BBRMVZONSA-N 445.997 5.026 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)CCOc1ccc(Br)cc1 521746480 KBCDBJYEIRNQRO-HNNXBMFYSA-N 448.386 5.244 30 20 IKED CCCN(Cc1ccc(F)cc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 521858655 FEGBHLVZRZBWGM-UHFFFAOYSA-N 441.557 5.285 30 20 IKED Cc1nc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)sc1Cc1ccccc1F 521953055 MJHMTCMTRUDMQG-UHFFFAOYSA-N 444.491 5.493 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3CCOc4c(-c5ccccc5)cccc43)cc2)nc1 521956135 IVMFUVGOSQCZHT-RUZDIDTESA-N 447.494 5.666 30 20 IKED CN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C(C)(C)c1ccc2c(c1)OCO2 522894621 PDLWTEOWIKSWDE-UHFFFAOYSA-N 428.488 5.281 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)ccc1OCc1ccccc1Cl 524032291 LMLCITJMYDXJPW-GOSISDBHSA-N 445.906 5.602 30 20 IKED C=CCc1cc(C(=O)N(CCC)[C@@H](c2ccc(F)cc2)c2cccnc2)cc(OC)c1OC 524836320 OUFAJOTZKILKQK-VWLOTQADSA-N 448.538 5.608 30 20 IKED CCN(C(=O)[C@@H](CCOC)Cc1cccc(Br)c1)[C@H](C)c1ccc(C#N)cc1 525474844 AESGKYQSXLIKHP-UTKZUKDTSA-N 443.385 5.126 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(Br)cc1 530986382 QMCUUUNTUKYMLN-HNAYVOBHSA-N 444.398 6.212 30 20 IKED Cc1sc(NC(=O)[C@H]2CC[C@H](C(=O)Nc3sc(C)c(C)c3C#N)CC2)c(C#N)c1C 537585555 ACHHGKMRNQUPGC-WKILWMFISA-N 440.594 5.170 30 20 IKED COC(=O)CSCc1cccc(NC(=O)c2ccccc2Oc2ccccc2C#N)c1 539764618 GZOKGDGMHLZZLS-UHFFFAOYSA-N 432.501 5.009 30 20 IKED C=CCC(C)(C)c1noc(Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)n1 551491864 HYAPLAGYRNAIAI-UHFFFAOYSA-N 430.302 5.122 30 20 IKED N#CCCN(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(F)cc1 554285125 FPZJPFILWZCGMF-UHFFFAOYSA-N 442.469 5.307 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1c(F)cncc1F 554419378 OYCATFSDCSJLGE-LBPRGKRZSA-N 428.826 5.560 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 554924373 LGXKRFFQQDFMAC-HXUWFJFHSA-N 431.565 5.303 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(COc4ccccc4)cc3)CC2)cc1 557359591 MDFZOYMUSYEACK-UHFFFAOYSA-N 427.504 5.213 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)cc1 561676885 FLOCTNHSIXLKFT-UHFFFAOYSA-N 446.507 5.021 30 20 IKED FC(F)c1nccnc1N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 568552733 BJRMQMNIVRBIBY-LBPRGKRZSA-N 427.295 5.030 30 20 IKED Cc1csc(NC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)c1C#N 579886166 AKUBTFCEXDMDHR-UHFFFAOYSA-N 440.322 5.195 30 20 IKED O=C(NCc1cccc(OCC(F)F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 588200665 BLHHATMHSWXYOV-VXGBXAGGSA-N 448.354 5.039 30 20 IKED CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 588934567 TZPIMCHEIVHXKD-UHFFFAOYSA-N 440.499 5.172 30 20 IKED FC(F)(F)c1cc(CNC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1Cl 589639166 QIFVPGKOGABIQH-UWVGGRQHSA-N 427.738 6.358 30 20 IKED CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 603995335 DVIDSKNMISRRLS-UHFFFAOYSA-N 433.895 5.260 30 20 IKED Cc1oc(-c2cccs2)nc1CC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 603995909 URGQDCIEMRYWAP-UHFFFAOYSA-N 442.500 5.017 30 20 IKED Cc1nc(-c2cccs2)ccc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604003788 WLNLNRBSUXOMMK-UHFFFAOYSA-N 439.540 6.016 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)cc1 604085428 HIDCQWMEKZEWBI-XMMPIXPASA-N 443.522 5.710 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H]3CCN(c4ccc(Cl)cc4)C3)cn2)cc1 604468461 AMADEZGLJLTVMW-GOSISDBHSA-N 447.926 5.047 30 20 IKED CCOc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)c2cccc(C#N)c2)cc1OCC 608482054 WAGGBKXAEWEKJH-SFHVURJKSA-N 442.515 5.078 30 20 IKED CCCCn1c(SC[C@@H](C#N)CCC#N)nc2scc(-c3ccc(F)cc3)c2c1=O 608862868 MBEUTHCXJZFWGW-OAHLLOKOSA-N 440.569 5.600 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 608914844 BRZAUZMACVDNSY-WOJBJXKFSA-N 432.568 5.119 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]1Cc1ccccc1 609078566 ZROZPULAOMQIHG-DEOSSOPVSA-N 425.532 5.685 30 20 IKED C[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(OCc2cccnc2)cc1 609126296 IIRHRBWXRXZEPI-HXUWFJFHSA-N 449.510 5.816 30 20 IKED COc1ccc2c(c1)CCCN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)cc1C)C2 609137561 NRPWJZLHRUNQPZ-UHFFFAOYSA-N 441.531 5.435 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3nccnc3-c3nc4ccccc4s3)c2)cc1 609176908 WJWOTZFJGZSRMR-UHFFFAOYSA-N 449.495 5.670 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(COc2ccc(C#N)c(F)c2)cs1 609424942 VYOMXJKNIMZYEK-UHFFFAOYSA-N 435.402 5.436 30 20 IKED N#CCCn1cc(CNCc2ccc(-c3ccc4c(c3)CCO4)cc2)c(-c2ccccc2)n1 609598600 CVVLRHMIDULWMP-UHFFFAOYSA-N 434.543 5.355 30 20 IKED CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1Cl 609689780 GBFPBDUJSXYKFN-YWZLYKJASA-N 429.973 5.186 30 20 IKED CCc1c(C)sc(NC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)c1C#N 609754803 GKOUPDYVDMHDMO-UHFFFAOYSA-N 441.603 5.535 30 20 IKED COc1ccccc1-c1ccc(CN(C(=O)c2cc3ccccc3n2CC#N)C(C)C)cc1 610188911 BKKFQJFWPNPXGA-UHFFFAOYSA-N 437.543 5.891 30 20 IKED COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)Nc2ccc(C#N)cc2Cl)cc1 610877023 GMFLGDRZZCARIY-UHFFFAOYSA-N 435.911 5.463 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(OCc2ccc(F)cc2)CC1 611265339 YMAULVMNEKEPME-UHFFFAOYSA-N 446.547 5.670 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccc(OC(F)(F)F)cc1Br 618762876 ROCOVYFEBYBKGW-HNNXBMFYSA-N 440.219 5.028 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)c1cc(C(F)(F)F)ccn1 643779382 GUECNZODSFYCOX-LJQANCHMSA-N 432.405 5.443 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 670230069 WODXKSASUMGMDY-FOIQADDNSA-N 444.988 5.211 30 20 IKED Cc1c(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cccc1C(F)(F)F 675532905 DHLYZLMTYLVJIJ-UWVGGRQHSA-N 436.318 6.045 30 20 IKED Oc1nc(CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)nc2cc(C(F)(F)F)ccc12 678755846 YSYBFPUFMXXHBE-HNNXBMFYSA-N 433.327 5.277 30 20 IKED C=CCC[C@@H](NC(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1)c1ccccc1 685791309 PBYWKOMPUOEQRQ-JOCHJYFZSA-N 447.604 5.013 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C 726700880 VBKMMDGPFMKDQJ-UHFFFAOYSA-N 434.540 5.300 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 726942342 VZLHRUXMXUOUCT-UHFFFAOYSA-N 435.867 5.909 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2C 728392899 XRAIYPYJGJZUNG-QGZVFWFLSA-N 440.503 5.061 30 20 IKED N#Cc1cn(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c2ccc(Cl)cc2c1=O 728705252 TXMKUKPYSJKIQJ-UHFFFAOYSA-N 441.101 5.125 30 20 IKED Cc1cc(-n2c(C)cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c2C)no1 729319869 PNNQLJILMHGGLZ-QFIPXVFZSA-N 444.922 5.952 30 20 IKED N#C[C@@H](C(=O)C1(c2ccc(Br)cc2)CCC1)c1nc2cc(F)ccc2s1 730416270 CFENCLMWDNKVHI-HNNXBMFYSA-N 429.314 5.496 30 20 IKED N#C[C@@H](C(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1)c1nc2cc(F)ccc2s1 730417572 OSXZRLCIKMDKSG-PGRDOPGGSA-N 436.508 6.284 30 20 IKED Cc1ccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1C 730421844 QUBOOKHNEYOHJZ-QGZVFWFLSA-N 436.537 5.207 30 20 IKED N#C[C@H](C(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1nc2ccccc2s1 730688087 ZFKVIDIXWZYAKJ-OPAMFIHVSA-N 436.895 6.085 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccccc1C(F)(F)F 731029907 JODNURZVORZXNE-OXQOHEQNSA-N 447.526 5.733 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 731399938 JEAHGRAMZDNFGP-IRXDYDNUSA-N 446.617 5.238 30 20 IKED COc1ccc(-c2nc3c(s2)[C@H](NCc2ccc(N(C)CCC#N)cc2)CCC3)cc1 731678854 ODTGNLBPTAFDDU-JOCHJYFZSA-N 432.593 5.336 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2Br)cc1 733216547 KMSVSPJSPHIXBB-UHFFFAOYSA-N 447.760 5.098 30 20 IKED N#C[C@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1ccc(Br)cc1 733253330 HTNHNWSKABDSJJ-KRWDZBQOSA-N 433.396 5.312 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cc1 733258540 DLZKHAOMGCFSDB-QGZVFWFLSA-N 434.323 5.264 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)OCc2ccc(OCc3ccncc3)cc2)c1 733482320 MNHHREZXXHLYAB-UHFFFAOYSA-N 440.455 5.061 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)OC(=O)CCC(=O)N(CCC#N)c1ccccc1 733699818 GHLKHDBIOOLWJI-IBGZPJMESA-N 447.560 5.450 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1 733771644 QGTZVFHNIFWGHG-HSZRJFAPSA-N 436.515 5.150 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 733844091 ZRXKUUBEFWIRQD-HXUWFJFHSA-N 426.476 5.497 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)cc2)CCO1 736497345 ZSFOELTXOUFVIJ-KRWDZBQOSA-N 447.922 5.481 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)cc1 740814723 FCQRIUUQDVIGRN-UHFFFAOYSA-N 444.919 5.247 30 20 IKED C=CCOc1c(Br)cc([C@H]2NC(=O)c3sc4ccccc4c3N2)cc1OC 742442312 UIPMTCXIROYIMP-LJQANCHMSA-N 445.338 5.091 30 20 IKED Cc1cc([C@](C)(O)CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C)o1 743106322 XWZMQOKCVAFOEW-HYBUGGRVSA-N 437.927 5.235 30 20 IKED C/C(=C/C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1cccc(C(F)(F)F)c1 745488265 UKAMNHDUIKROFI-KIWPFMIBSA-N 448.466 5.101 30 20 IKED COc1ccc(C#N)cc1NC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 747405842 PLTUNMAUHYFLQC-CYFREDJKSA-N 445.544 5.060 30 20 IKED COc1ccc(C#N)cc1NC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 747405844 PLTUNMAUHYFLQC-YADARESESA-N 445.544 5.060 30 20 IKED CCCCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 748443202 LYKKIESNXOBRGB-ILBGXUMGSA-N 446.595 5.282 30 20 IKED CC[C@@H](C)n1c(SCC(=O)[C@H](C#N)c2nc3ccccc3o2)nnc1-c1ccccc1 750396592 BNDVCEGNDFLQKI-WBVHZDCISA-N 431.521 5.026 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)cc1C#N 752308546 UGKZJSSWKQIHTF-OAQYLSRUSA-N 449.898 5.086 30 20 IKED CC(=NNc1nc(C(F)(F)F)cs1)c1ccc(OCC(=O)Nc2ccccc2)cc1 755904117 LYYGAIKNGVGLHT-UHFFFAOYSA-N 434.443 5.016 30 20 IKED N#Cc1cccc(COc2ccc(NCc3nccn3Cc3ccccc3)cc2Cl)c1 755951420 DDQZNYWNYHOXBV-UHFFFAOYSA-N 428.923 5.648 30 20 IKED CC(C)(C)c1ncc(/C=C\C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)s1 764752373 VPCLVGOVWFHIIY-PLNGDYQASA-N 425.341 5.168 30 20 IKED C=C(Cl)COc1ccc([C@@H](C)NCc2csc(CNC(=O)c3ccccc3)n2)cc1 766499741 STUQTZUONXLVLS-QGZVFWFLSA-N 441.984 5.055 30 20 IKED C[C@H](NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(OCC#N)cc1 776154609 VHJTXNLWSBKYNW-IBGZPJMESA-N 426.495 5.432 30 20 IKED N#Cc1cc(N[C@@H]2CCCc3nc(-c4ccccc4F)sc32)ccc1N1CCC(O)CC1 777114657 KHBVFKLBOLCRJS-OAQYLSRUSA-N 448.567 5.271 30 20 IKED N#C[C@H](C(=O)CCCCC(=O)c1ccc(F)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 778607491 VMJRQFVARGYJRW-GOSISDBHSA-N 435.282 5.223 30 20 IKED Cc1cc(Br)cc(NC(=O)c2cccc(C#N)c2)c1NC(=O)OC(C)(C)C 784690519 OWGLMMMCMLJXPS-UHFFFAOYSA-N 430.302 5.229 30 20 IKED CC(=O)N(C)c1ccc(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 786319337 QCPDLDUULKHJQQ-ZNWBTVJYSA-N 433.577 5.084 30 20 IKED O=C(OCc1cncc(F)c1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 795533712 JNTVFGGVFPGRPK-NVAPZFPCSA-N 439.371 5.386 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)[nH]c12 796719449 LSSOCHXBDMFIPC-SFHVURJKSA-N 430.508 5.049 30 20 IKED CC(=O)N[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccc(C)cc1 915102160 SNUJIDPANLEIMD-VQTJNVASSA-N 437.952 5.216 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 916902971 JKMQYWHTUVBLOZ-AOMKIAJQSA-N 427.548 5.379 30 20 IKED Cc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cs2)o1 916904955 GMFLUOOYHCDBME-QGZVFWFLSA-N 443.484 5.465 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2sc(C)nc2-c2cccs2)cc1 916914835 VZBMAQUMPLVVBD-SFHVURJKSA-N 437.590 5.413 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1sc(-c2cccc(Cl)c2)nc1C 916922872 JGWQOLGNMAPWIX-INIZCTEOSA-N 439.924 5.132 30 20 IKED N#C[C@H](C(=O)[C@H]1COc2ccc(Cl)cc2C1)c1nc2cc(C(F)(F)F)ccc2s1 917042578 GJEDIABPDSCUFE-BXUZGUMPSA-N 436.842 5.396 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 920102840 ZYIZXMIDIZHJRG-KRWDZBQOSA-N 433.920 5.767 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3c(C)nn(-c4ccccc4)c3Cl)n2)cc1 920142035 JQOPACPBGIKXII-GOSISDBHSA-N 448.935 5.456 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCCCCC(C)(C)C)C2 1779276178 SVTZGGHYCJLZLB-QHWMMSMNSA-N 446.676 5.265 30 20 IKED CC1(C)CCC(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C#N)cc2Cl)C3)CC1 1800234349 ITJXHBZZWSCOHN-ACDBMABISA-N 442.003 5.070 30 20 IKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4ccccc34)[nH]n2)cc1 1820547297 HTGHNGCIMDIVAP-XMMPIXPASA-N 449.514 5.054 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CC2)C1 1823700828 ZMORTXITXXRNJX-KMRPREKFSA-N 426.645 5.179 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2SC)CC1 1823753910 ONOIKFIYMDXLRJ-OAQYLSRUSA-N 443.657 5.029 30 20 IKED C=CCn1c(SCc2cn3ccccc3n2)nc2scc(-c3cccs3)c2c1=O 11381427 NYTLKXFDLRBNEO-UHFFFAOYSA-N 436.587 5.313 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Br)cc1)[n+]1ccccc1 14871771 YHTQOZCYVNFXJE-UHFFFAOYSA-O 440.386 5.350 30 20 IKED Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)cc1 24841271 BYHAYYPZIWGZKP-QHCPKHFHSA-N 425.561 5.482 30 20 IKED Cc1ccc(N2C(=O)/C(=C/c3cn(CCC#N)c4ccccc34)c3ccccc3C2=O)cc1 35584309 GHTGWGOVGKUKNY-KOEQRZSOSA-N 431.495 5.591 30 20 IKED COCCCCN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 63163343 WCPMIEUEIYIFSN-UHFFFAOYSA-N 443.547 6.120 30 20 IKED Cc1sc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c(C#N)c1C 64778663 FGVCVVAASWSKBY-UHFFFAOYSA-N 430.508 5.410 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1CCN(Cc2ccccc2)CC1 65992748 YWCMRGJKVLFTOJ-UHFFFAOYSA-N 425.532 5.510 30 20 IKED Cc1ccsc1-c1nnc(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)o1 97552912 ZYTKIRWPIKIFIL-CQSZACIVSA-N 438.559 5.199 30 20 IKED C=C(Cl)CSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1ccc(Cl)c(OC)c1 206767646 QSSZXQFIEXVDBB-VCHYOVAHSA-N 449.359 5.587 30 20 IKED C=C(C)COc1cc(CN[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)ccc1OC 237342551 ZQYCZDQZGYKSTA-LJQANCHMSA-N 431.536 5.148 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 247661785 SYISCOCHZFDQQA-UHFFFAOYSA-N 436.458 5.510 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)nnc1-c1cccnc1 302986144 VFRRSJHVSBYNAI-MSOLQXFVSA-N 443.576 5.037 30 20 IKED N#CCCC[C@H](NCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1ccccc1 433021405 QYCLVVZUZODWPL-OZXSUGGESA-N 429.589 5.247 30 20 IKED N#CC(CCSc1nc(=O)cc(O)n1C1CCCC1)(c1ccccc1)c1ccccc1 436198673 PVYOJWCYDSORAU-UHFFFAOYSA-N 431.561 5.056 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 437512904 KLGWJSRRWIMINK-NQIIRXRSSA-N 438.503 5.316 30 20 IKED COc1cccc(O[C@@H](C)CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 437960702 JAINRASBKAWWIC-IBGZPJMESA-N 445.519 5.043 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]([C@H]4CCOC4)C3)cc2Cl)c1 439400927 XUYSAKNQJFUDMN-UXHICEINSA-N 439.943 5.071 30 20 IKED N#CCCN(C(=O)CN[C@H](c1cccc(Cl)c1)c1ccccn1)c1cccc(Cl)c1 441040961 YVCWCDYBJLBJOZ-HSZRJFAPSA-N 439.346 5.014 30 20 IKED COc1cccc(/C=C(/CC(=O)NCC2CCC(C#N)CC2)c2nc3ccccc3s2)c1 441144843 HJEPRHSPRPFXSR-BKUYFWCQSA-N 445.588 5.682 30 20 IKED C=CCC[C@H](NC(=O)C1CCN(c2nc(C)cs2)CC1)c1ccc(C(F)(F)F)cc1 441559162 PKYAURZDGFWEBD-IBGZPJMESA-N 437.531 5.510 30 20 IKED C[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1cccc(OCc2ccccn2)c1 444028131 FFVGVOOWMAUKOV-HXUWFJFHSA-N 438.531 5.410 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)CCOc2ccc3ccccc3c2)c1C#N 445567518 RWXGGQUQRMQELU-UHFFFAOYSA-N 428.517 5.027 30 20 IKED CC(C)(C)c1noc(CCCC(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)n1 460339431 OYAJQGIMWKHUJD-UHFFFAOYSA-N 436.943 5.448 30 20 IKED COCCN(C(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(C#N)cc1 460346879 BKEQBCQFNBOANJ-UHFFFAOYSA-N 434.923 5.013 30 20 IKED N#Cc1ccc(NCc2nc(-c3cc(Br)cs3)no2)cc1C(F)(F)F 462185447 DTICCTQDRYLTPB-UHFFFAOYSA-N 429.221 5.063 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc1Cl 464473244 RDTAHXPECFSZRU-MRXNPFEDSA-N 441.796 5.908 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1ccc(Cl)cc1-c1ccccc1)c1ccccc1 468292510 RXDXLWBHKLKHDQ-UHFFFAOYSA-N 431.923 5.673 30 20 IKED CC(C)(OCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(F)(F)F 468784084 BICVVAYEKIHILJ-UHFFFAOYSA-N 426.822 5.087 30 20 IKED Cc1cnccc1OC1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 470431108 WGTXVHDRKXWORT-UHFFFAOYSA-N 447.922 5.391 30 20 IKED CC[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Cl)s1 470548136 VOPVOOFERMULPP-INIZCTEOSA-N 430.961 5.257 30 20 IKED C[C@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C2CC2)o1 470558280 DYKPSGSKOZJZEG-JTSKRJEESA-N 446.551 5.182 30 20 IKED Cc1c(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cccc1NC(=O)N(C)C 471357463 OLPMOIZYPILDMJ-SFHVURJKSA-N 441.535 5.510 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCc1nc2cc(Cl)ccc2s1 476145174 JSGPXONWWIWNHU-UHFFFAOYSA-N 431.993 5.058 30 20 IKED N#CC[C@H](CC(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1 476216020 GPALGHJNTRSMFX-QGZVFWFLSA-N 429.467 5.533 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N(C1CC1)C1(C#N)CCC1 477456038 ZSDJKBXFRCVNKM-UHFFFAOYSA-N 431.920 5.152 30 20 IKED C=C(C)[C@H](NC(=O)Nc1cccc(Br)c1COC)c1ccc(F)c(F)c1 480635200 KCXNUXNIOHRARR-SFHVURJKSA-N 425.273 5.313 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@H](C)c2cccc3ccccc23)nnc1-c1ccncc1 481344497 HWJLULDJVSJGNV-GOSISDBHSA-N 443.576 5.039 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2OCC)nnc1-c1cccc(Cl)c1 481365877 GOOJZNHIXBIODF-HNNXBMFYSA-N 442.972 5.303 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H]3C[C@H](c4ccc(Cl)cc4)C3)cc2)c1 485131429 JOGLMOGIIMJEBZ-XGAFWQRZSA-N 445.906 5.005 30 20 IKED Cc1cc(NC(=O)c2ccc(COc3ccccc3C#N)o2)ccc1Oc1ccncc1 487696560 HSNIXDBPWPGPKH-UHFFFAOYSA-N 425.444 5.478 30 20 IKED CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 490193665 PMPJUCAZRCOCPE-UHFFFAOYSA-N 447.922 6.189 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 494529196 HEOZEQSDCCAEKQ-QGZVFWFLSA-N 448.906 5.672 30 20 IKED CCN(Cc1ccccn1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 496315948 UYNFULTVQKBBKQ-UHFFFAOYSA-N 445.470 5.073 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 501168043 ZKHQAVRAWMRQQC-AZZUFQGZSA-N 432.539 5.260 30 20 IKED CC(=O)Nc1ccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 502468728 PGFRLRSTGYZQIX-UHFFFAOYSA-N 434.883 5.393 30 20 IKED C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 503666750 NAEKIEAONUKGJO-HNNXBMFYSA-N 425.410 5.125 30 20 IKED CC(C)Cn1ncc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c1C(F)F 505341333 ARHQSXTUFVLKHF-OAQYLSRUSA-N 438.478 5.050 30 20 IKED CCCCC1CCC(CNC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 508312662 VXHGSNRPDWGICM-UHFFFAOYSA-N 438.572 5.135 30 20 IKED C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 509670734 LFGDMJZZUSKXHR-MRXNPFEDSA-N 449.507 5.189 30 20 IKED COC(=O)c1ccc(Cl)c(CSCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 511919825 BDNVXJDKYVDAAO-AWEZNQCLSA-N 448.997 5.393 30 20 IKED C=C(C)CN(Cc1csc(-c2cccc(Br)c2)n1)Cc1ccc(CO)o1 512171623 XVBIHYNGBYYAAR-UHFFFAOYSA-N 433.371 5.236 30 20 IKED Cc1ccc(-c2nnc(SCCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)o2)cc1 514897909 DQFRDCGVEXIECX-AWEZNQCLSA-N 438.578 5.224 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)Cc3csc(-c4cccs4)n3)c2)c1 515676755 ZFYHYCVVDIMUJN-UHFFFAOYSA-N 444.541 5.177 30 20 IKED Cc1nc(-c2ccccc2)sc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 517461901 SGZZTYUJNQIUFC-UHFFFAOYSA-N 447.507 6.395 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl 517473079 ILRJGZLBUIFULU-LBPRGKRZSA-N 437.352 5.005 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(-c4ccccc4Cl)noc3C)n2)cc1 517800958 SGLLSJIYKFKDFH-KRWDZBQOSA-N 449.919 5.926 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(Cc1ccc2ccccc2c1)C1CC1 518749111 OMILPIOAHVEXFB-GOSISDBHSA-N 443.572 5.364 30 20 IKED CCCOc1c(Cl)cc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1OC 519485162 HYUXQQVJJIQPFW-OAHLLOKOSA-N 427.715 5.439 30 20 IKED Cc1cccc(NC(=O)CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1C 519989140 CYHPEGRFMGUPTB-UHFFFAOYSA-N 428.492 5.070 30 20 IKED CC(=O)CCc1ccc(OCC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1 521024356 SXZVVOZUXZKHEV-UHFFFAOYSA-N 444.506 5.140 30 20 IKED CCCc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)[nH]c(C)c1C(C)=O 521259300 MQPMDQADBYGSJO-AWEZNQCLSA-N 427.476 5.370 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1coc(-c2cccc(F)c2)n1 521724363 ZKCZFFALCDBWNV-HNNXBMFYSA-N 441.553 5.747 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 523594301 HMPZELDSYLLQET-IAGOWNOFSA-N 444.551 5.145 30 20 IKED Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 524565144 IZCKEFYGRFIKRX-WIYYLYMNSA-N 439.581 5.451 30 20 IKED COc1cc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCc1cccc(C#N)c1 539378146 XYQSCXKRIBRMIY-SFHVURJKSA-N 431.492 5.213 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 541041710 GYQAOEWZSQYFCM-BEFAXECRSA-N 449.498 5.563 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 541749201 CZOLYYPRKRMWFE-LADGPHEKSA-N 446.547 5.640 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N[C@@H](c3cccc(F)c3F)C(F)(F)F)o2)cc1 544059741 GOWAYORXZLMOHZ-IBGZPJMESA-N 436.336 5.042 30 20 IKED C=C(C)Cn1c(SCC(=O)N2C[C@@H](C)CC[C@H]2c2ccccc2)nnc1-c1ccco1 553176092 QYUQTWLBSJOFBT-ICSRJNTNSA-N 436.581 5.206 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1C[C@@]12CCc1cc(Br)ccc12 553455059 FQVLSZAKXNZLGG-FYYLOGMGSA-N 442.401 5.035 30 20 IKED C=CCC[C@H](NC(=O)C(=O)N[C@@H](c1ncccc1C)C(C)C)c1ccc(C(F)(F)F)cc1 553995716 XUUSKOKIPMTPJK-VQTJNVASSA-N 447.501 5.046 30 20 IKED Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2C(F)(F)F)C1 554187368 BDCKIRXPQOGVNM-SNVBAGLBSA-N 438.347 5.008 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)[C@@H](Sc2cc(F)ccc2F)c2ccccc2)CC1 554542021 BFLDZFAAHSHBFA-QHCPKHFHSA-N 449.526 5.277 30 20 IKED N#Cc1cc(C(=O)N2CCCC[C@@H]2c2ccccc2C(F)(F)F)cnc1C(F)(F)F 555785489 FGWJSECLOQADMK-MRXNPFEDSA-N 427.348 5.358 30 20 IKED Cc1ccc(OCc2nc(CNc3ccc(Oc4ccnc(C#N)c4)cc3)cs2)cc1 562081584 PMKXPYFKCWCAMD-UHFFFAOYSA-N 428.517 5.702 30 20 IKED CCCN(C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[C@H]1CCCc2cccnc21 564258914 BOMCMHLERHMHCW-QHCPKHFHSA-N 427.508 5.462 30 20 IKED Cc1ccc(CNC(=O)C2CCN(Cc3ccc(-c4ccccc4C#N)cc3)CC2)cc1F 579381082 TVGAKZPZPPFGRK-UHFFFAOYSA-N 441.550 5.201 30 20 IKED CC(C)c1ccc(OC2CCN(Cc3cn(CCC#N)nc3-c3ccncc3)CC2)cc1 579429671 QEFZKEUCWLVKSI-UHFFFAOYSA-N 429.568 5.026 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)cc2)c1 579527319 AWRCNSOHNBCLFO-UHFFFAOYSA-N 441.365 5.317 30 20 IKED C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@@H]1c1csc(C)n1 582634340 PSSIRLLRSCEZPB-LJQANCHMSA-N 439.585 5.035 30 20 IKED C[C@@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1cccc(OCc2ccccn2)c1 601187795 RFCBHDQIOYATEU-OAQYLSRUSA-N 448.526 5.338 30 20 IKED CCN(C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)[C@H](C)c1ccc(C#N)cc1 603529422 RUFVGSZTEZRTIO-OAHLLOKOSA-N 443.494 5.853 30 20 IKED N#Cc1cccc(COc2cccc(NCc3cccc(C(=O)N4CCCCC4)c3)c2)c1 604007217 XZFHLIQXOGUVQQ-UHFFFAOYSA-N 425.532 5.375 30 20 IKED N#Cc1cccnc1Oc1ccccc1NCC(=O)Nc1ccccc1Oc1ccccc1 604007686 QXJBGFXXSHIPTE-UHFFFAOYSA-N 436.471 5.588 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc2ccccc2n1C(F)F 604461357 IKDBGJUVXGNXGS-HNNXBMFYSA-N 447.445 5.978 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 605363170 MYCJRKJYVRSJPK-OAHLLOKOSA-N 448.935 5.637 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cnc(-c3ccccn3)s2)cc1 609011073 XNOFQYVUISUSGS-UHFFFAOYSA-N 426.501 5.102 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 609061196 VHPUSZIUSOTISM-UHFFFAOYSA-N 430.552 5.773 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccn(-c4cccc(Cl)c4)n3)cc2)c1 609063723 JYQYYRPKKXQHSK-UHFFFAOYSA-N 428.879 5.229 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCCOc1ccc2ccccc2c1 609388934 MKMKWTDKWWJNHI-SFHVURJKSA-N 436.602 5.842 30 20 IKED N#CCCN(C(=O)CCC(=O)N1CCC(c2cccc3ccccc23)CC1)c1ccccc1 609420848 CXXBFLMSPGSOND-UHFFFAOYSA-N 439.559 5.273 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3cccc(C(=O)N4CCCCC4)c3)c2)cc1 609642467 XFDWTIXEQRROPL-UHFFFAOYSA-N 439.515 5.016 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1 609723011 UDPUCADBODWBHS-UHFFFAOYSA-N 445.906 5.492 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1cccc2ccccc12 609936731 DSFFQEVPHMESBH-GOSISDBHSA-N 435.483 5.320 30 20 IKED CC(=O)N1CCc2c(sc3nc4c(c(-c5ccc(C)cc5)c23)CCc2cc(C#N)ccc2-4)C1 612429546 PJAPSXMJWOCEHQ-UHFFFAOYSA-N 449.579 5.814 30 20 IKED CCN(C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H](C)c1ccc(F)cc1 616090188 OLWYUXDGZDBZED-MRVWCRGKSA-N 428.392 5.828 30 20 IKED C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 639939055 BEUBIWUPIRUOTE-GOSISDBHSA-N 444.560 5.067 30 20 IKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nc(-c2ccccc2)cs1 642281868 VGCVZOWLYPATKE-SFHVURJKSA-N 429.526 5.614 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2c(F)cccc2F)n1)c1nc2cc(C(F)(F)F)ccc2s1 674299130 BOQSZPZNSKNYDN-NSHDSACASA-N 448.376 5.269 30 20 IKED COC[C@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 675739781 ZTXMKUJPBYKEBH-YJNKXOJESA-N 437.346 5.892 30 20 IKED C=C(C)[C@@H](CO)Sc1nnc(CNc2cccc(C(F)(F)F)c2)n1C1CCCCC1 677131182 LIYHYPXCPFQWLY-GOSISDBHSA-N 440.535 5.443 30 20 IKED CC(C)(c1ccc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1)C(F)(F)F 683234417 FKAYQDQWJQSHEY-RYUDHWBXSA-N 436.318 5.731 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 726071295 YQRLAHNVXZXGOE-UHFFFAOYSA-N 438.846 5.493 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)c1 726319248 DGCAMZWUDLUFLI-SFHVURJKSA-N 443.450 5.027 30 20 IKED N#C[C@H](COC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)Cc1ccc(F)cc1 726330099 YMKSEHPPOHYMEY-OAHLLOKOSA-N 448.441 5.436 30 20 IKED COc1ccc(C=NNc2ccc(C#N)c(C(F)(F)F)c2)cc1OCc1cccnc1 726426206 RNNLUBGZOIQSIQ-UHFFFAOYSA-N 426.398 5.006 30 20 IKED CC(C)(C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1cccc(C(F)(F)F)c1 727220611 ZIHLMEFPTJSFAJ-UHFFFAOYSA-N 442.437 5.277 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCc3c(Br)cccc32)cc1 727934367 GBVGNUCRPLMMQH-JTHBVZDNSA-N 446.348 5.914 30 20 IKED N#CCOc1ccc(CNC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)cc1 727935761 WKPKCFCNQVHPTJ-UHFFFAOYSA-N 428.517 5.111 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1C 728062304 IBMLJVFKCUMBQB-FQEVSTJZSA-N 441.575 6.010 30 20 IKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CCCCC#N)cc1 728780690 WWIGJWQUUZQLJI-QFIPXVFZSA-N 448.592 5.212 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)c1 729553742 SYXKIGBWVPHCIH-SANMLTNESA-N 436.515 5.289 30 20 IKED N#C[C@@H](C(=O)c1csc(COc2ccc(F)cc2)n1)c1nc2cc(F)ccc2s1 730420963 IXDXNXGWGFZKTF-AWEZNQCLSA-N 427.457 5.100 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2)c1 731400218 MEJLFFZSBDUWEM-XMMPIXPASA-N 443.503 5.269 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H](O)c3cccc(C(F)(F)F)c3)cc2)c1 731400279 MTVSDAKKNDADNM-OAQYLSRUSA-N 441.409 5.224 30 20 IKED C=CCN1C(=O)N[C@@H](c2nc(-c3ccccc3)cs2)C(C(=O)Nc2ccc(F)cc2)=C1C 731421257 GVQJDURUACCZPI-OAQYLSRUSA-N 448.523 5.114 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 732399729 WEJVWSDPRLSRHH-QGZVFWFLSA-N 429.476 5.055 30 20 IKED CCc1ccc(C(=O)Nc2sccc2C(=O)NCc2cccc(O[C@H](C#N)CC)c2)cc1 733784558 FMXRSQDFMNOXGJ-FQEVSTJZSA-N 447.560 5.174 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(OCc3ccc(F)cc3)cc2)cs1)C1CC1 734304160 FPSXBVMCSTVMOG-MDWZMJQESA-N 436.508 5.273 30 20 IKED CCOc1c(Br)cc(/C=C/C(=O)c2c[nH]c3ccc(OC)cc23)cc1OC 734307305 MDRBGYSQVDNADJ-VMPITWQZSA-N 430.298 5.242 30 20 IKED C[C@@H](OC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)C(=O)Nc1ccccc1C#N 735166006 WHTPKNADJUBUKZ-OAHLLOKOSA-N 445.862 5.060 30 20 IKED COc1ccc(-n2c(-c3cccc(C)c3)nn(CN(CC#N)C3CCCC3)c2=S)cc1 738254685 JOBYAXDUWFTIGZ-UHFFFAOYSA-N 433.581 5.113 30 20 IKED CSc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1F 741847319 MRBICUNQBICMMB-RMKNXTFCSA-N 446.956 6.238 30 20 IKED O=C(O)COc1ccc(/C=C\C(=O)c2cc(Cl)ccc2Cl)cc1Br 742429109 HWCZYCNNJUKZRC-KTAJNNJTSA-N 430.081 5.115 30 20 IKED N#CCOc1cccc(NC(=O)N[C@@H](c2cc(F)ccc2F)c2ccccc2Cl)c1 743102353 FRKAPQJDIRVYRJ-OAQYLSRUSA-N 427.838 5.432 30 20 IKED C/C(=C\C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1 744031281 VJZKJKQXLGAAOB-USYSOWRXSA-N 441.236 5.763 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)Cn1[nH]c(-c2ccccc2Br)nc1=S 746034173 YQHNVLHEWDCMAN-UHFFFAOYSA-N 442.386 5.110 30 20 IKED Cc1nc(NC(=O)c2cc3ccc(OCc4ccccc4)cc3[nH]2)sc1SCC#N 749266324 RJPPIPQRKGRTPY-UHFFFAOYSA-N 434.546 5.380 30 20 IKED CCCCCCCCOCc1cccc(NC(=O)N2CCOCC3(CCOCC3)C2)c1 752551605 WEUAKKYSMFIBKJ-UHFFFAOYSA-N 432.605 5.225 30 20 IKED CC(C)(C)OC(=O)NCc1cccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 752688545 YDHGDRDNGVXVEQ-VXKWHMMOSA-N 434.540 5.015 30 20 IKED Cc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(Br)n1 755859592 VPDMVHQDGIZTSN-UHFFFAOYSA-N 436.309 5.164 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C\c3ccc(F)c4cccnc34)SC2=S)cc1Cl 759116472 HDANYXBJKSHBLF-CAOOACKPSA-N 425.897 5.305 30 20 IKED CCCCc1ccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccc(CC)cc2)cc1 762441012 RHEPNMMQUMDMBY-UHFFFAOYSA-O 442.608 6.074 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(O)(c4ccccc4Cl)CC3)c2)cc1 765280546 LBVKSWBFRWUUCV-UHFFFAOYSA-N 447.922 5.519 30 20 IKED N#C[C@@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)C(=O)Nc1ccccc1Cl 769945475 LLBWRCBCHFVOPP-GFAPJHNFSA-N 427.209 5.287 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CC3(CSc4ccccc4)CC3)n2)cc1 770844968 ZAIIGZBMSSEXOM-HXUWFJFHSA-N 429.570 5.821 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cn(CCCC#N)c3ccccc23)cc1 774049544 BESPVQZDZJHLAE-JOCHJYFZSA-N 426.520 5.249 30 20 IKED N#C[C@@H](COC(=O)c1coc(-c2ccccc2Cl)n1)Cc1cccc(Br)c1 774390067 BGGHVLDUCDMKPB-AWEZNQCLSA-N 445.700 5.297 30 20 IKED Cn1c(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nc2cccc(Cl)c21 775486489 BTZYDPSIXXYUTH-LJQANCHMSA-N 429.911 5.204 30 20 IKED C[C@@H](NC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1ccc[nH]1 775985423 ZRCQDDWYFGHFOW-AMIZOPFISA-N 447.301 5.716 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 780552019 JOXDVEMNJAHCFJ-INIZCTEOSA-N 446.894 5.726 30 20 IKED CC(C)(C#N)CCCOC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 782471037 RPMSTKCKZSEYAX-UHFFFAOYSA-N 438.528 5.039 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(OC)c(OC2CCCC2)c1 784831014 GCWPTCNCNFFHIC-OAQYLSRUSA-N 434.536 5.103 30 20 IKED N#CCCn1cc(/C=C\C(=O)c2ccc(-c3ccccc3F)s2)c(-c2ccncc2)n1 788351362 QVMKWLBSMCAQGH-SREVYHEPSA-N 428.492 5.622 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1 791862089 NEFYPZJFWCAGMH-JXFKEZNVSA-N 431.458 6.145 30 20 IKED Cn1c(C(=O)[C@@H](C#N)c2nccc3ccccc23)ccc1-c1ccc(Br)cc1 792094698 PLLPKNUUEXPHAV-IBGZPJMESA-N 430.305 5.493 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(Oc2ccccc2)cn1 799602163 IXNMZSRHAVTMML-SFHVURJKSA-N 439.443 5.150 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCCSC1=Nc1ccccc1 811920209 SOJUCTASVJVHAP-UHFFFAOYSA-N 425.535 5.169 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC(Cc3cccc(C(F)(F)F)c3)C2)cc1 814576625 FPZGTFQQGDAAMS-XMMPIXPASA-N 449.476 6.067 30 20 IKED COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(SCc2csc(C)n2)cc1 818032971 CJBFMWHEYKULHL-UHFFFAOYSA-N 430.938 5.497 30 20 IKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(CCCC)C2CC2)ccc1Cl 914494860 ZIEGCCVHCSFCSW-UHFFFAOYSA-N 447.000 5.126 30 20 IKED Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=NNc1cncc(Cl)n1 914557084 METSDTJUGUCMDY-UHFFFAOYSA-N 430.126 5.089 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)cc1 915086684 MFDHIRKHUWBCJQ-QHCPKHFHSA-N 431.923 5.144 30 20 IKED C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C2CC2)o1 915353527 OPLSZYKWABQPHK-AYCKEJKLSA-N 425.532 6.255 30 20 IKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=S)Nc1ccc(Oc2ccccc2)cc1 916016609 PRLOCPFSEGJIAT-UHFFFAOYSA-N 430.577 5.111 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cccc(OCc2cccs2)c1 916905986 GDLZWTLSIYBOEW-QFIPXVFZSA-N 432.545 5.413 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl 916909728 OYHSFUIHOUOEKE-AWEZNQCLSA-N 430.316 5.387 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1sc(-c2ccc(Cl)cc2)nc1C 916923240 MWQUURYFECTTLS-INIZCTEOSA-N 439.924 5.132 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/COc3c(F)cccc3C2=O)cs1 921266409 OTROGVCANWHDHX-LCYFTJDESA-N 428.872 5.279 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc4cnccc4[nH]3)cc2)CCC1 1789357258 VKOWFSNUOVLIQX-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1814830253 URZYFTIISQICEB-JPYJTQIMSA-N 445.567 5.111 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc(C)ccc2C)[nH]n1 1819310330 YVDNDVAPGKAWKX-GGAORHGYSA-N 434.584 5.030 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C(F)(F)F)c2C)n[nH]1 1823289308 BNDHPLAQNFNTAS-LIRRHRJNSA-N 448.489 5.255 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)c(OC)c2)CC1 1824144100 ZTVVPFKWTZZLHP-DEOSSOPVSA-N 438.612 5.005 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccoc3s2)CC1 1827410426 OCXBSTMUWAJHFM-NHCUHLMSSA-N 440.609 5.496 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)CC1 1828039250 CBDQHDHGKGOWPB-VWLOTQADSA-N 433.596 5.170 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)ccc2Cl)CC1 1828827586 PWUUQVCULFQQRO-NFBKMPQASA-N 446.994 5.481 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)c2ccc(O)cc2)CC1 1830333529 RKGGTMBZMHFNLH-RDPSFJRHSA-N 440.628 5.108 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(Cl)c2C)CC1 1832025205 QLJREEZNVODJTH-QHCPKHFHSA-N 429.004 5.075 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccc(C(C)(C)C)cc2)c1 10168021 WBBJYIKUWUPEEK-UHFFFAOYSA-O 445.652 6.556 30 20 IKED Cc1ccc(-c2nnc(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)n2-c2ccc(C)cc2)cc1 10263611 MDVFJHZZYISEDU-UQBPGWFLSA-N 447.608 5.086 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)n1 10399622 WDUSLNNHTHXUSN-GOSISDBHSA-N 425.451 5.025 30 20 IKED CC(C)(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2cccc(O)c2)cc1 10832193 ICZGMIOVUFZTKA-UHFFFAOYSA-O 439.988 5.682 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2cccc(OC)c2)cc1 11259679 LEWXNYQKBVBHFK-UHFFFAOYSA-O 431.990 5.311 30 20 IKED CCn1c(SCc2c(C#N)c(C)nn2-c2ccccc2)nnc1-c1ccc(Cl)cc1 18468170 PKOZAECLEMXZQE-UHFFFAOYSA-N 434.956 5.277 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2CC)[n+]2ccc(CC)cc2)cc1 22732047 LVECOARUNYNVSI-UHFFFAOYSA-O 433.597 5.549 30 20 IKED C=CCN(CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)Cc1cccs1 27220417 USBRJHIORHMRQQ-FQEVSTJZSA-N 447.604 5.208 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CC[C@@H]1Cc2ccccc2NC1=O 72025341 OSIYDHFSIWOSRT-HXUWFJFHSA-N 425.488 5.189 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCCSc1ccc(Br)cc1 303288440 APFKTPPHMWBSIX-OAHLLOKOSA-N 449.439 6.354 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1 303642193 RGJIWJONAHJPAB-UHFFFAOYSA-N 425.488 5.096 30 20 IKED CC(C)Oc1ccc(NC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)cc1C#N 435358607 QTEVYDSDXNYIKB-UHFFFAOYSA-N 428.920 5.171 30 20 IKED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1 436252964 KTIZFHPQWYLMSG-IERDGZPVSA-N 432.467 5.066 30 20 IKED Cc1ccccc1-c1nc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)no1 436501661 DZIBWOSLCULEPA-UHFFFAOYSA-N 425.448 5.031 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N2CC[C@@H](C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 437410913 UQTLOGRGSHFXPQ-FOIQADDNSA-N 431.458 5.236 30 20 IKED COc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1OC(F)F 437465204 CZWPUXYDEMWKSU-UHFFFAOYSA-N 428.366 5.352 30 20 IKED COc1ccc(-c2cc(NC(=O)c3c(F)cc(C#N)cc3F)ccc2OC(F)F)cc1 437972424 HNRSTOKOJLOUKD-UHFFFAOYSA-N 430.357 5.366 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H](C)Oc1ccc(F)cc1 437981505 WOKRXHQOPBMHIX-GOSISDBHSA-N 433.483 5.174 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H](Cc3ccccc3)C2)cc1 438191044 PKGCBIDDOQPHJI-NRFANRHFSA-N 427.504 5.456 30 20 IKED C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)COc1ccc(C#N)c(Cl)c1 438889203 GFEBUXZFDQIYNZ-KRWDZBQOSA-N 447.922 5.062 30 20 IKED N#CCC[C@@H](Nc1ncc(Cl)c(N[C@H](CCC#N)c2ccccc2)n1)c1ccccc1 439102684 XJNBCXAHUSLNBA-FGZHOGPDSA-N 430.943 6.044 30 20 IKED COC(=O)c1ccccc1C(=O)c1ccc(N[C@@H](CCC#N)c2ccccc2)c([N+](=O)[O-])c1 439117295 SBRFOFZZSOUQQN-NRFANRHFSA-N 443.459 5.069 30 20 IKED CC1(C#N)CCN(C(=O)Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)CC1 444975510 QZJVZIZIUORSNE-UHFFFAOYSA-N 426.929 5.900 30 20 IKED Cc1nnc2ccc(-c3noc(-c4cccc(Oc5cccc(Cl)c5C#N)c4)n3)cn12 445634357 HJLHINSJOHPSIO-UHFFFAOYSA-N 428.839 5.072 30 20 IKED COc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 446118460 VTEFDJIHHGQUNJ-QGZVFWFLSA-N 448.548 5.110 30 20 IKED CCOC(=O)[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)Cc2ccccc21 448354529 KMSCFXJKSNVGGH-XMMPIXPASA-N 441.487 5.045 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CCN1C(=O)CCc2ccccc21 460170929 NBQSUOLWRXCTRD-UHFFFAOYSA-N 443.934 5.114 30 20 IKED C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H]1c1csc(C)n1 460379671 JIFBARKTZKXVAD-LJQANCHMSA-N 439.585 5.035 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1cc(C(F)(F)F)ccn1 464475062 UFIQMKOMHGLYIK-AWEZNQCLSA-N 430.407 5.090 30 20 IKED C[C@H](CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C(=O)c1cccc(F)c1 468596964 OCAPOKACFFUAKS-GOSISDBHSA-N 432.470 5.274 30 20 IKED C[C@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccc(-c2ccncc2)cc1 470018200 NPJRXCQHSSQYMD-FQEVSTJZSA-N 433.511 5.690 30 20 IKED COc1ccc(Oc2ccc(Cl)cc2NCc2nnc(-c3ccc(C#N)cc3)o2)cc1 471630992 YZNZWJWPHUXLJK-UHFFFAOYSA-N 432.867 5.675 30 20 IKED C[C@H](Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1)c1ccccc1 472531653 CVMJENONWUWOQS-HTAPYJJXSA-N 425.513 5.835 30 20 IKED CN(Cc1cc2ccccc2o1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 472722598 LUHAQXQNHPXZMR-UHFFFAOYSA-N 425.488 5.742 30 20 IKED COc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1NC(=O)c1cccc(F)c1 474900679 GTPDONFMMWBPFE-UHFFFAOYSA-N 431.467 5.140 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 475583813 NKFIHYMMHMEVMM-UHFFFAOYSA-N 425.960 5.068 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)COc1ccc(I)cc1 476121407 XSIYBSHASHETCH-UHFFFAOYSA-N 435.305 5.161 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3nc4c(cc3C#N)CCCC4)cc(-c3ccccc3)nc21 484172764 WGGMXZHZQGRGGZ-UHFFFAOYSA-N 436.519 5.077 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCc3cc(Cl)ccc3C2)cc1 484202610 ZGEVKVUAUDFPFT-UHFFFAOYSA-N 431.923 5.575 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)c1ccc(Oc2cccc(Br)c2)cc1 486288504 DACOFNBOQWDNSA-UHFFFAOYSA-N 436.309 5.192 30 20 IKED N#CCCN(C(=O)c1cnc(-c2ccc(F)c(F)c2)s1)C12CC3CC(CC(C3)C1)C2 486571294 BEXGKPPNBPCLBX-UHFFFAOYSA-N 427.520 5.413 30 20 IKED O=[S@@](Cc1coc(-c2c(F)cccc2F)n1)Cc1cc(F)c(C(F)(F)F)cc1F 488722512 GHJBCUKNBOQABP-GDLZYMKVSA-N 437.336 5.366 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1SCC(=O)Nc1c(Cl)cccc1C(F)(F)F 488734950 OXIBBZDSNXDFGQ-UHFFFAOYSA-N 439.768 5.375 30 20 IKED Cc1cc(N2CCCCCC2)ccc1NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 489286759 KNYLOIRXNYIRSE-UHFFFAOYSA-N 447.583 5.154 30 20 IKED COc1ccc(CN(C(=O)Nc2ccccc2S[C@H](C)CC#N)[C@H](CO)C(C)C)cc1 492179681 QBOYTOGDEGPRFX-XMSQKQJNSA-N 441.597 5.140 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)o1 492912721 OCXVTABUOPJTEE-UHFFFAOYSA-N 449.510 5.597 30 20 IKED Cc1nc([C@H]2CCCOC2)sc1C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 498948987 SHYSIEOCXWMKDN-AOMKIAJQSA-N 431.561 5.375 30 20 IKED Cc1cc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)ccc1NC(=O)c1cccs1 503839411 GESAMSVDFVNZGR-UHFFFAOYSA-N 427.529 5.110 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2F)C(C)C)nnc1-c1ccc(Cl)cc1 505328502 GZAVTBCYHCXXLH-IBGZPJMESA-N 444.963 5.679 30 20 IKED N#C[C@H](NC(=O)CSCc1cc(-c2cccs2)on1)c1ccc(Cl)c(Cl)c1 505922585 JGPOATXUBYWWJL-HNNXBMFYSA-N 438.361 5.324 30 20 IKED Cc1nnc(SCc2c(C(=O)N[C@H](C#N)C3CCCCC3)oc3ccccc23)s1 506541696 XTBVCEODPKMRHX-QGZVFWFLSA-N 426.567 5.087 30 20 IKED Cc1cc([C@@H](C)NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c(C)s1 510162548 XHEVSGYKENLVSM-GFCCVEGCSA-N 429.596 5.263 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(NC(=O)C2CC2)cc1 510599525 PQDZZTKSQYNCHA-QGZVFWFLSA-N 440.503 5.582 30 20 IKED CCOc1ccc(NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)c(C(F)(F)F)c1 511810926 QFQGTRDLGCUSMT-UHFFFAOYSA-N 440.315 5.031 30 20 IKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[C@@H](C#N)c1nc2ccccc2s1 513660007 JFUWUUVZWIYOCZ-LLVKDONJSA-N 428.300 6.057 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(N3CCCC3)c2)cc1 513872664 LJCVQPACJKVGQU-UHFFFAOYSA-N 428.511 5.532 30 20 IKED COCCc1ccc(OCCCC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1 517301793 PORYNSMXGPYHDT-UHFFFAOYSA-N 446.572 5.372 30 20 IKED Cc1ccc([C@H](NC(=O)CNc2ccccc2S[C@H](C)CC#N)c2cccs2)cc1 517534888 JDHNXFRDKALWRY-KOSHJBKYSA-N 435.618 5.769 30 20 IKED CN1[C@H]2CC[C@H]1CC([C@H](NCc1ccc(C#N)cc1C(F)(F)F)c1ccc(Cl)cc1)C2 518267028 FOQDBYOVCKOEJG-QNWVGRARSA-N 447.932 5.934 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 518307317 CKQMBJWTEMYFGI-HHHXNRCGSA-N 445.522 5.205 30 20 IKED C=CCn1c(SCc2ncc(C)cn2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 518429660 XBFLFSFDTOUKAQ-UHFFFAOYSA-N 438.553 5.149 30 20 IKED CC(C)COC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 520796352 GNJFJWVRYLAORB-QFIPXVFZSA-N 425.960 5.664 30 20 IKED CC[C@H](c1ccccc1)c1nnc(NC(=O)c2ccc(COc3ccccc3C#N)o2)s1 521631445 QTAUNMCQLDTSNL-LJQANCHMSA-N 444.516 5.376 30 20 IKED Cc1nc(-c2c[nH]c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)c2)cs1 524249775 CLLBTZOLPQUEQI-UHFFFAOYSA-N 428.517 5.458 30 20 IKED CCCc1ncc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)s1 525659504 BUQMFSWUPMDELS-UHFFFAOYSA-N 436.484 5.286 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CC2)cc1 527478660 YIMSWGREQKBFKX-UHFFFAOYSA-N 441.462 5.045 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)Nc1cccc2c1CN(c1nccs1)C2 534771335 HGCRNVQVUGETHG-OAHLLOKOSA-N 435.578 5.559 30 20 IKED CCNC(=O)Nc1cccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1 535623626 XFBXODCWXXKYOM-UHFFFAOYSA-N 434.883 5.398 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 537493225 PEWWIUZPRUOJCJ-TZIWHRDSSA-N 443.469 5.138 30 20 IKED CN(C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O)c1cccc(C#N)c1 537641794 XWXGVAMRMDCTJQ-UHFFFAOYSA-N 440.286 5.100 30 20 IKED C[C@H](NC(=O)c1ccc2c(c1)NC(=O)CCS2)c1ccc(-c2cccc(C#N)c2)cc1 541131295 LAAWPPSTUFYCLD-INIZCTEOSA-N 427.529 5.151 30 20 IKED N#Cc1cc(C(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)ccc1Cl 541621296 DUWBMPGZAYVAMQ-UHFFFAOYSA-N 430.316 5.109 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 542742127 RPVRUTAJGMFHCF-UKILVPOCSA-N 429.495 5.084 30 20 IKED CN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 544454887 OWSHOABVKCUQSV-AZGAKELHSA-N 444.506 5.269 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC=C(c4ccncc4)C3)cc2Cl)cc1 554169463 SKIAMHMWIJUAIQ-UHFFFAOYSA-N 430.895 5.720 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(-c2cncc(Br)c2)no1 554793122 RYTXILYLAVFQNM-UHFFFAOYSA-N 426.192 5.145 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2nc(Cc3ccccc3Br)cs2)c1 556965371 YPEQCODMAUETHJ-UHFFFAOYSA-N 432.730 5.274 30 20 IKED Cc1ccccc1CN(Cc1cccnc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 562109288 SXVOHUXZAOUWPW-UHFFFAOYSA-N 449.514 5.683 30 20 IKED O=C1CCC(=O)N1c1cc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F 573527188 YFCGGDFQZFDXIC-UHFFFAOYSA-N 434.311 5.129 30 20 IKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c12 592973751 KBNSSHHYINLVHN-KRWDZBQOSA-N 441.491 5.183 30 20 IKED C=CCOc1ccc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)cc1 600463528 JIVPKNCABYTCCT-UHFFFAOYSA-N 445.494 5.233 30 20 IKED CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 604312035 JMDREMOSPWQKIQ-SFHVURJKSA-N 443.572 5.631 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)N[C@H](C)c3cccc(C#N)c3)c2)cc1 608482009 OLRVSDVEEXDDHV-HXUWFJFHSA-N 426.516 5.150 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 609438615 MPYJYGXXPBNWLT-RBUKOAKNSA-N 446.576 5.938 30 20 IKED Cc1cc(Oc2ccccc2)ccc1NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 609452104 OHXPHUPETAGDJD-UHFFFAOYSA-N 426.520 5.009 30 20 IKED C[C@H](Oc1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1 609683930 ULVQCRAZLMSJJP-NRFANRHFSA-N 442.563 5.294 30 20 IKED N#C[C@@H](NC(=O)c1sc(-c2ccccc2)nc1C(F)F)c1ccccc1Br 611186255 XKYCFTDZDUVITK-CQSZACIVSA-N 448.292 5.505 30 20 IKED C[C@@]1(C#N)CCCN(C(=O)Nc2ccc(OCc3ccccc3)c(Br)c2)C1 612309720 FJYYFJXTUBEHLJ-NRFANRHFSA-N 428.330 5.186 30 20 IKED O=C(Nc1ccc(OC(F)F)c(F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 613075373 HBYQFLWGJRCBFT-MBTKJCJQSA-N 438.290 5.458 30 20 IKED Cc1cn(-c2ccccc2)nc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 681173685 QYVRTKJIMONICQ-HNNXBMFYSA-N 426.423 5.299 30 20 IKED N#C[C@H](C(=O)Cc1cccc(Br)c1)C(=O)Nc1ccccc1Oc1ccccc1 726319278 FBIKXNCIPFQVBO-LJQANCHMSA-N 449.304 5.131 30 20 IKED COc1cccc(NC(=O)/C(=C\c2cccc(OCCCC#N)c2)C(=O)c2ccccc2)c1 726742708 WKXWFQXVWLOSIV-BWAHOGKJSA-N 440.499 5.283 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)cc1 726940338 FCOZSSXGDZHBFV-UHFFFAOYSA-N 443.576 5.918 30 20 IKED CC[C@@H](c1ccccc1)c1nnc(SCC(=O)N(CCC#N)c2ccc(C)c(C)c2)o1 727690583 JHSISAHBCJSRIJ-NRFANRHFSA-N 434.565 5.267 30 20 IKED CC(C)n1ncc2cc(/C=C3/Cc4c(F)cc(Br)cc4C3=O)c(Cl)nc21 727779878 ALNXLERTPMRALX-KMKOMSMNSA-N 434.696 5.390 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3nc(NCc4ccco4)ncc3Cl)c2)cc1 729375684 QNWYBDSXEWOFQU-UHFFFAOYSA-N 445.866 5.251 30 20 IKED CCN(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)C(c1ccccc1)c1ccccc1 730261555 MWERRZJCJLRIAN-QHCPKHFHSA-N 432.527 5.335 30 20 IKED COc1ccc(CCC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1Br 730416427 CVYNKRTZDSCVCM-ZDUSSCGKSA-N 433.302 5.016 30 20 IKED COc1ccccc1/C=C(\C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1ccccc1 730420364 CMRROULLPVUZJW-DTBYZMGXSA-N 428.488 5.861 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@H](C)Sc1ccc(Cl)cc1 731065690 LBPJZJZYLTUNHZ-LSDHHAIUSA-N 448.997 5.254 30 20 IKED Cc1cc(C)c2cc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)sc2n1 731067026 MIGJHYLKZMNEKL-HNNXBMFYSA-N 439.562 5.103 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(Cl)c2cccnc12 731071722 XOLRTGGIDHMBNL-AWEZNQCLSA-N 439.924 5.078 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(F)c(C(F)(F)F)c1 731075527 DPMJTPXUUAFQKI-LBPRGKRZSA-N 440.418 5.034 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccc(N2CCCC2=O)cc1 731981702 OERNTRWTVRRPKR-LJQANCHMSA-N 439.515 5.163 30 20 IKED CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(Oc2cccnc2)c(C)c1 732711953 XPQYRRFVSLZIBK-UHFFFAOYSA-N 431.521 5.010 30 20 IKED C#CCN(C(=O)Nc1c(C)cc(C)cc1Cl)[C@H]1CCOc2ccc(Br)cc21 733617965 OQEVEUAZCKAVRU-SFHVURJKSA-N 447.760 5.710 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC=C(c3c(C)[nH]c4ccccc34)CC2)c1 733852092 RXCHYWZVBXRYEB-NRFANRHFSA-N 428.536 5.156 30 20 IKED C[C@H](OC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1nc(-c2cccnc2)no1 735165291 FXMXDPAIHQENTF-AWEZNQCLSA-N 446.850 5.367 30 20 IKED CSCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C)c1C 735969036 CTUTZAHNCQHGLV-FQEVSTJZSA-N 441.622 5.017 30 20 IKED Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 737513289 MJGPJWZDDSOPFZ-UHFFFAOYSA-N 441.462 5.687 30 20 IKED O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc(S(=O)(=O)CC(F)F)cc1 741853234 YZFGJQWZLUQQFO-OVCLIPMQSA-N 442.483 5.201 30 20 IKED CCOc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC)c1 743735447 HPGZVRUHCWSZSG-LJQANCHMSA-N 445.972 5.027 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(-c3noc(C4CC4)n3)c2)cc1 744032036 AZBUGHAMQVJVRU-VFNWGFHPSA-N 428.492 5.089 30 20 IKED CC(C)c1ccc2c(Cl)c(C(=O)OCc3nnc(-c4ccc(C#N)cc4)o3)sc2c1 745004672 MEZVEINYCZPKIU-UHFFFAOYSA-N 437.908 5.957 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cnn(-c3ccccc3)c2)cs1 746347068 XHQKGDYEVWETPG-JLHYYAGUSA-N 428.517 5.218 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2csc(-c3ccccn3)n2)cc1Cl 749122625 MDDJNINNJNGUGF-SFHVURJKSA-N 430.920 5.766 30 20 IKED CCCOc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)cs2)cc1 750391502 INZRGOYCEDHKGC-GOSISDBHSA-N 439.924 5.213 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CC=C(c3c(C)[nH]c4ccccc34)CC2)cc1C#N 752301981 BVLUCEKFUBRGDI-UHFFFAOYSA-N 443.507 5.238 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2c[nH]c3cccc(Br)c23)cc1 753968991 QISJZDNOHPAEMQ-FQEVSTJZSA-N 444.332 5.767 30 20 IKED COc1ccc(/C=C\C(=O)c2ccc3c(c2)CCC(=O)N3C)cc1OCc1ccccc1 754690114 OLOABXMJIXMWNJ-JYRVWZFOSA-N 427.500 5.079 30 20 IKED N#Cc1ccccc1/C=C1/CC(C#N)(c2ccccc2)C/C(=C\c2ccccc2C#N)C1=O 755580251 ZGSRKZDXLFBAAG-ACZYEWCVSA-N 425.491 5.721 30 20 IKED N#C[C@H](C(=O)CCc1nc(C2CCCC2)no1)c1nc(-c2ccc(Cl)cc2)cs1 762070036 UIPMXWQLACENQY-MRXNPFEDSA-N 426.929 5.313 30 20 IKED CC1=C(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)CCC1 764754420 FEEBEILMSJAQFU-UHFFFAOYSA-N 440.224 5.472 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2ccc3ccc(Br)cc3n2)S1 771519407 CWXGPEYQECJHRP-WQRHYEAKSA-N 438.350 5.506 30 20 IKED COc1ccc2ccccc2c1-c1cc(CN2C(=O)CS/C2=C/C(=O)C(C)(C)C)on1 778018907 FUXDPRWXSZBJEO-WSDLNYQXSA-N 436.533 5.035 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1 780165002 NNWWBJAHAJNKEX-INIZCTEOSA-N 449.507 5.100 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 780668744 YBRQXIBIJINTKY-CJAUYULYSA-N 427.504 5.214 30 20 IKED N#CCCn1cc(/C=C\C(=O)c2ccc(N3CCCCCC3)cc2)c(-c2ccncc2)n1 788351534 WVBDMWXSERWHEB-FLIBITNWSA-N 425.536 5.135 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)O[C@H](C)c3ccc(Cl)c(C(F)(F)F)c3)CC2)o1 790895517 OUACAENAPFWOLD-LLVKDONJSA-N 441.837 5.048 30 20 IKED CCN(CC)[C@@H](C(=O)[C@H](C#N)c1nccc2ccccc12)c1cccc(C(F)(F)F)c1 792106632 SIBSWWVZEMCJAS-IFMALSPDSA-N 425.454 5.513 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN2CCC(c3cccc(Cl)c3)CC2)c1=S 794683697 PQGFOABEWMAIEZ-UHFFFAOYSA-N 425.989 5.153 30 20 IKED CC(/C=C\C(=O)c1ccc(S(=O)(=O)CC(F)F)cc1)=C/c1ccccc1OC(F)F 811690698 DPYORFLSKPWILW-ZKCBKFBFSA-N 442.430 5.169 30 20 IKED C[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)c1ccc(F)c(Br)c1 813063747 BTJGERWQIAYDKN-SWLSCSKDSA-N 444.329 5.477 30 20 IKED CC(=NNc1nncc2ccccc12)c1sc(-c2ccccc2Br)nc1C 814705781 NCKLXKOTCHTMHH-UHFFFAOYSA-N 438.354 5.660 30 20 IKED CC(C)(C)OC(=O)NC1(c2noc(-c3cccc(Nc4ccc(C#N)cc4)c3)n2)CCC1 904553725 HSPOMDCAMHDBAG-UHFFFAOYSA-N 431.496 5.256 30 20 IKED CCCOc1ccc(C(=O)CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915088602 SSVQECBDADHCHJ-RUZDIDTESA-N 426.516 5.732 30 20 IKED CC(=O)N[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccc(C)cc1 915102157 SNUJIDPANLEIMD-PMACEKPBSA-N 437.952 5.216 30 20 IKED CCc1ccc(-c2nc(CC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cs2)cc1 915179736 HKKATEYERYHIAF-RUZDIDTESA-N 437.568 6.209 30 20 IKED CCOc1cc(/C=C/C(=O)c2c[nH]c3ccccc23)ccc1OCC(=O)Nc1ccccc1 915271018 HCAPDNQQYNIJSV-WYMLVPIESA-N 440.499 5.480 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1 916681627 VIXQIBHSBNJMDE-JOCHJYFZSA-N 440.934 6.067 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)sc2cccc(F)c12 916847749 UXPMBRMTBLAVFF-LBPRGKRZSA-N 437.521 5.428 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(C2SCCCS2)cc1 916936622 RBVYHWJCWCWSNS-OAHLLOKOSA-N 434.945 5.309 30 20 IKED N#C[C@@H](C(=O)CSc1ccc2ccccc2c1)c1nc2cc(C(F)(F)F)ccc2s1 917042958 JPDCYNITHVAYBR-KRWDZBQOSA-N 442.487 6.437 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1OCc1ccccc1 917045049 WLKKWSUPEAWHOU-GOSISDBHSA-N 448.931 6.027 30 20 IKED COc1cc([C@H]2N(C)c3ccccc3C(=O)N2c2ccccc2Cl)ccc1OCC#N 917503311 FNIHODZIIITPBW-QHCPKHFHSA-N 433.895 5.046 30 20 IKED COc1ccc2c(C)c(CCC(=O)Nc3sc(-c4ccccc4)cc3C#N)c(=O)oc2c1 917714122 WOYNGZZGQASWHL-UHFFFAOYSA-N 444.512 5.282 30 20 IKED N#C[C@@H](Cc1ccccc1)SC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1 917906435 XMCLVPBZRVRXON-LEYFIJQKSA-N 427.504 5.437 30 20 IKED CN(CCCOc1ccc(Cl)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 918036184 SGNBQVIJZDGBFH-XMMPIXPASA-N 433.939 5.928 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1 918416727 GLQDZHBSFZCHSQ-UHFFFAOYSA-N 438.314 5.129 30 20 IKED Cc1cc(C)n(-c2ccc(CC(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2)n1 920806865 RQWDCHZTCWSSNY-GOSISDBHSA-N 448.498 5.310 30 20 IKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4ccccc34)cc2)CCC1 1788892311 ZEJDSPXWDPNPCD-LJQANCHMSA-N 428.532 5.179 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)c(F)c(Cl)c3)CCC2)cc1 1792268262 FTGDDYMVRAMCGK-UHFFFAOYSA-N 433.310 5.294 30 20 IKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccc(Cl)cc2)CCC1 1801547758 YTQIKISQAPCXSE-NUNAXRQHSA-N 441.015 5.168 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)s2)n[nH]1 1816399158 HTHJMTDRRMUBEB-GDBMZVCRSA-N 432.977 5.199 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)c(C)cc2F)[nH]n1 1819311375 XAQYAFJRGCNYIJ-KKSFZXQISA-N 442.510 5.071 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2c[nH]c3ccccc23)n[nH]1 1820729667 FTPIPXSWFRIKTG-JOCHJYFZSA-N 447.583 5.118 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccsc3[nH]2)CC1 1823753467 PXUQFJXAXLQGEU-OAQYLSRUSA-N 441.641 5.455 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1828294649 GDUHPTSPXYULEM-SBUREZEXSA-N 442.003 5.267 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(Cl)s2)CC1 1828821708 QCBVSAHXANWRTG-SFTDATJTSA-N 449.060 5.332 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](c3ccc(F)cc3)C(C)C)CC2)C1 1831751176 WLOSJGKBZYBSGP-DQEYMECFSA-N 440.603 5.151 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 1831861829 ZAZPWFSWZXRXCS-OAQYLSRUSA-N 437.411 5.122 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)Cc2ccco2)CC1 1832282045 JWQQVFMXCFUUTN-NFBKMPQASA-N 428.617 5.070 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)C1 1844635756 USFSBEYRGUHGNH-HXUWFJFHSA-N 443.547 5.013 30 20 IKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(Br)cc2)[n+]2ccccc2)c1 20834586 XJWOTSDKPLLEMG-UHFFFAOYSA-O 440.386 5.404 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(F)cc2F)cc1 22727295 ZPAVQCDLCXDLKC-UHFFFAOYSA-O 431.553 5.626 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(F)ccc1F)=C(/S)Nc1cccc(Cl)c1C 22728223 LNAYBYFNLMPLAH-UHFFFAOYSA-O 445.942 5.827 30 20 IKED Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc(CC#N)cc3)[C@@H]2c2cccs2)cc1 26384190 FGKHFYRGKXJMHP-ZJSXRUAMSA-N 429.545 5.246 30 20 IKED Cc1ccc(-c2nc(CSc3nc(N)c(C(=O)Nc4ccccc4)cc3C#N)co2)cc1 31743128 CRLYPOUZKUEEDV-UHFFFAOYSA-N 441.516 5.044 30 20 IKED N#C[C@H](C(=O)CSc1cccc(Br)c1)c1nc(-c2ccccc2)cs1 97529706 FJTBFTFWEVBYSO-MRXNPFEDSA-N 429.364 5.541 30 20 IKED COc1cc(CNCc2cccc(C#N)c2)cc(Br)c1OCc1ccccc1 237107978 MCHFARUYRQAKQW-UHFFFAOYSA-N 437.337 5.198 30 20 IKED N#Cc1cc(NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)nc2ccc([N+](=O)[O-])cc12 301626066 AVQAHTPKPVZEAJ-UHFFFAOYSA-N 441.422 5.018 30 20 IKED C[C@H](Sc1nc2c(cc1C#N)CCCC2)c1nc(O)c2c3c(sc2n1)C[C@H](C)CC3 302980942 TZFVWKXTIGSQHS-OLZOCXBDSA-N 436.606 5.520 30 20 IKED Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 303610216 LHSDTVACCWVBGB-UHFFFAOYSA-N 436.471 5.280 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1Br 410375250 WUUBOEGZZUIQNW-NSHDSACASA-N 445.791 5.298 30 20 IKED N#CC1(C(=O)Nc2ccc(NC(=O)C3(C#N)CCCCC3)c3cnccc23)CCCCC1 429041860 MTRJGHBTNLIZBH-UHFFFAOYSA-N 429.524 5.060 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3F)c2)c1 429861389 PHRPLNAXWBIREO-UHFFFAOYSA-N 427.357 5.221 30 20 IKED Cc1cc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)n(Cc2ccccn2)n1 430818848 FIOSJDKCRIVCOV-UHFFFAOYSA-N 443.894 5.205 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC=C(c3cccc(Cl)c3)CC2)cc1 431976798 HKTOUBSIJCFBBW-UHFFFAOYSA-N 435.955 5.475 30 20 IKED CC1(C)CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)[C@@H]1c1ccncc1 432771632 MCVKGAWBGBOLAB-JOCHJYFZSA-N 432.911 6.014 30 20 IKED O=C(NCc1nc(C(F)(F)F)cs1)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 432979929 PQQPVTUDSZETQY-UHFFFAOYSA-N 435.296 5.104 30 20 IKED C[C@H]1Cc2cc(-c3ccc(CNCc4cn(CCC#N)nc4-c4ccncc4)cc3)ccc2O1 433328621 AQEFXSSEIGGRRJ-FQEVSTJZSA-N 449.558 5.139 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(F)c(Br)c2)cc1 437190435 PJWSMBUOTSMALA-UHFFFAOYSA-N 441.325 6.004 30 20 IKED N#Cc1ccc(F)c(CNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)c1 438164083 HYBKPTBYXFNJSF-UHFFFAOYSA-N 448.351 5.364 30 20 IKED COc1ccc2[nH]cc(C3=CCN(C(=O)Nc4ccc(C#N)c(C(F)(F)F)c4)CC3)c2c1 438655957 LXMSTEJMLZBEPC-UHFFFAOYSA-N 440.425 5.388 30 20 IKED N#CCC[C@@H](NC(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1)c1ccccc1 438835326 CDGHDPUBQACUOM-WOJBJXKFSA-N 436.314 5.260 30 20 IKED C[C@H]1C[C@H]1[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1 442364009 MGINUQVKUCUADC-JTQINKHRSA-N 441.984 5.186 30 20 IKED CC(C)(C)Cc1nc(-c2ccc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cc2)no1 442624735 ZEJLZMZKCAIEHV-INIZCTEOSA-N 428.414 5.229 30 20 IKED C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 443177951 ZQHUVGFOXXSDHN-RHSMWYFYSA-N 433.350 5.090 30 20 IKED CCN(Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 443598936 CFSCUCUGCRZITB-UHFFFAOYSA-N 438.531 5.981 30 20 IKED N#Cc1cccc(/C=C\c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)no2)c1 445811443 QKAVJIDIGUIYQO-DAXSKMNVSA-N 440.303 5.134 30 20 IKED CCO[C@@H](C)c1nc(CN2CCN(c3c(C#N)cnc4ccc(C(C)C)cc34)CC2)cs1 447671760 RIQJWYUSJZXVJO-SFHVURJKSA-N 449.624 5.106 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 448207216 XGKRDYPRVHLSNM-WZONZLPQSA-N 435.955 5.093 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 448302601 NTLZACHWEVUBKP-NHCUHLMSSA-N 439.441 5.195 30 20 IKED N#CCCN(CC1CC1)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCCO1 461077001 VETBVUVVYYWAPT-INIZCTEOSA-N 441.988 5.122 30 20 IKED N#Cc1ccc(-c2nnc(N3CCC(c4ccc(O)cc4)CC3)n2Cc2cccs2)cc1 461506851 KDUSKOXVOYRMRC-UHFFFAOYSA-N 441.560 5.016 30 20 IKED CCN(C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccc(C#N)cc1 461538236 CHSDKIJKWOIIEE-QHCPKHFHSA-N 431.923 5.126 30 20 IKED C=CCn1c(SCc2ncc(-c3ccc(C)cc3)o2)nnc1[C@@H]1COc2ccccc2O1 463037362 UCKDYNIOFNDOSW-NRFANRHFSA-N 446.532 5.232 30 20 IKED CCO[C@@H](C)c1nc(CN(C)C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)cs1 464798392 JDLGSDYUTKMZMO-KRWDZBQOSA-N 435.549 5.485 30 20 IKED N#CCCn1ncc(C(=O)Nc2cc(F)c(Br)cc2Cl)c1-c1ccccc1 466468551 IAUFTDRGNXDSKH-UHFFFAOYSA-N 447.695 5.271 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccccc3OCc3cccs3)ccc21 470790942 ZRGPNYFSNZTFEZ-UHFFFAOYSA-N 445.544 5.162 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 472329884 SROLSDOBDLGKSI-QFIXIFRTSA-N 428.989 5.301 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 473490915 UCEFFRICEKCSKH-SFHVURJKSA-N 445.935 5.616 30 20 IKED C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)C[C@@H](CC#N)c1ccccc1)OCCO3 474414014 PSYRAOZWIYWLSM-TZIWHRDSSA-N 430.548 5.260 30 20 IKED C=C(C)[C@H](NC(=O)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1)c1ccc(F)c(F)c1 477736294 CVBKMYBZHVXHHK-VFNWGFHPSA-N 429.442 5.452 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)N(C)c3cc(Cl)ccc3C#N)c2)cc1 479573488 JCAOJENMUOISGU-UHFFFAOYSA-N 446.934 5.589 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)c1ccc2ccccc2c1 479662566 HMEPEKWCKSDTTI-UHFFFAOYSA-N 429.545 5.480 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cccc(Nc3ccccc3)c2)nnc1-c1ccco1 482145517 DBXDGQOTEADPCW-UHFFFAOYSA-N 445.548 5.589 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC4(CC3)OCCc3ccsc34)cc2)c1 492177232 DYAUFJFHBNZZKT-UHFFFAOYSA-N 445.544 5.508 30 20 IKED CCN(C(=O)CCc1ccc(C#N)cc1)[C@@H](c1ccc(Br)cc1)c1cccnc1 496533060 GBYJINUBKLIXMR-DEOSSOPVSA-N 448.364 5.286 30 20 IKED O=C(CCOCC(F)(F)C(F)F)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 503312395 LREMXUGORRVSFY-CQSZACIVSA-N 435.767 5.233 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@H](C#N)c1ccccc1Cl 505632260 DNYHOPMLUKPTIO-QGZVFWFLSA-N 427.888 5.096 30 20 IKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)cc1 505794930 GMWWOFHHAUQLLO-NRFANRHFSA-N 449.963 5.374 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Cc3csc(Cc4cccc(Cl)c4)n3)CC2)cc1 506069678 KQBDLLUEGHTEEG-UHFFFAOYSA-N 433.964 5.117 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(C)c2)cc1 508264334 AKSUJRYZUJVPDT-HSZRJFAPSA-N 427.504 6.037 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cscc2Br)cc1 509108846 KAGVUQGOVYJMSS-UHFFFAOYSA-N 429.295 5.435 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@H](C)c1ccc(C#N)cc1 512784697 ZTVDUMDCSLLYGP-HUUCEWRRSA-N 425.941 5.366 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2csc(-c3ccc(Cl)s3)n2)cc1 512800729 HARFATXZURLSGW-UHFFFAOYSA-N 441.887 5.601 30 20 IKED Cc1c(CSC(C)C)cccc1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 513324497 GKRDGSQQPMWTFA-UHFFFAOYSA-N 425.573 5.503 30 20 IKED CCOc1ccccc1[C@H](CC)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 513982458 CYINKKWSSBCJND-DEOSSOPVSA-N 443.547 6.003 30 20 IKED C[C@H](Sc1ccccc1Cl)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 515600120 LDMCRDKXNAMJSJ-LBPRGKRZSA-N 447.010 5.475 30 20 IKED N#CCCCOc1cccc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)c1 516009418 FPZDLMLYDDPTAY-UHFFFAOYSA-N 429.501 6.005 30 20 IKED Cc1nn(-c2ccc(C(=O)Nc3ccc(C#N)c(Cl)c3)cc2)c(C)c1Br 517300507 KSHIPWBTKJHBDQ-UHFFFAOYSA-N 429.705 5.029 30 20 IKED N#Cc1ccc(CSCC(=O)N(c2cccc(Cl)c2)c2nc3ccccc3s2)cc1 518179127 YTHIUZJOWPNORT-UHFFFAOYSA-N 449.988 6.419 30 20 IKED Cc1nc(SCC(=O)N2CCC[C@@H]2c2cccc(Br)c2)c(C#N)c(C)c1C 518289733 CSCAVNUHXNQQEF-LJQANCHMSA-N 444.398 5.097 30 20 IKED C=CCN1CCC(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CCC3)CC1 518501037 NLZXGFDUQXLSOM-HNENSFHCSA-N 427.548 5.085 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 519011821 YFKIUNMZVHNIMN-CYBMUJFWSA-N 432.895 5.801 30 20 IKED C=CCN(CC(F)(F)F)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 521186735 PPAQOTXVLQYHNR-UHFFFAOYSA-N 427.810 5.051 30 20 IKED Cc1ccc(-c2nc(NC(=O)c3occc3COc3cccc(C#N)c3)sc2C)cc1 522485514 MZHSIURGJIXINM-UHFFFAOYSA-N 429.501 5.723 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(NC(=O)c2ccncc2)c1 523502244 OUYTYFVFLHOIGC-UHFFFAOYSA-N 441.409 5.170 30 20 IKED Cc1nc(C2(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)CCCCC2)no1 523878402 PVKNRLZUICFXCA-UHFFFAOYSA-N 436.899 5.285 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1 524514743 QNWNOEVCKJPFAO-UHFFFAOYSA-N 439.496 5.430 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)C3CCC(F)(F)CC3)s2)c(C(F)(F)F)c1 535356895 WOGNDDNXGBGYGM-UHFFFAOYSA-N 429.414 5.388 30 20 IKED COc1cc([C@@H](C)N[C@H](C)C(=O)N(CCC#N)c2ccccc2)ccc1OC1CCCC1 539256856 JCBABQAMBPGTAS-WOJBJXKFSA-N 435.568 5.003 30 20 IKED Fc1ccc([C@H](CC(F)(F)F)NCc2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1 540376130 PACKOLGBPGWBSN-KRWDZBQOSA-N 432.339 6.283 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)c1nc(-c2cc(F)ccc2C(F)(F)F)no1 544953248 NDXSNBJDASJJRT-QMMMGPOBSA-N 436.331 5.422 30 20 IKED C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 549634226 KACPWRNCIGTVDR-WJOKGBTCSA-N 430.577 5.048 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CN(C)c1nc2ccccc2s1 553420747 BTTYDKJOCDITFE-UHFFFAOYSA-N 428.517 5.344 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cc1c(C)[nH]c2ccc(Br)cc12 553454299 ZFOFGEHHJBYIIG-UHFFFAOYSA-N 443.389 5.164 30 20 IKED CC(C)(C)n1cc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)c(-c2ccccc2Cl)n1 554537117 ULLUGZXURKTQTM-UHFFFAOYSA-N 447.970 5.051 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(c3ccc4cc(C#N)ccc4n3)C2)n1 556082054 KGRLNCPDGAFAMI-LJQANCHMSA-N 426.545 5.623 30 20 IKED CC(=O)N1CCc2c(sc3nc4c(c(-c5ccc(C)cc5)c23)Cc2ccc(C#N)cc2-4)C1 558589439 WCWYXEWTLQPIMQ-UHFFFAOYSA-N 435.552 5.619 30 20 IKED Cc1ccc(-n2cc(CN(CCC#N)Cc3ccccn3)c(-c3ccc(F)cc3)n2)cc1 560257674 REWAMTXRDBGPLG-UHFFFAOYSA-N 425.511 5.298 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)NC3CCC(c4ccc(C(C)(C)C)cc4)CC3)CC2)o1 561380243 KEUNFRGAIFZDOP-UHFFFAOYSA-N 448.611 5.211 30 20 IKED COC(=O)C[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc2ccccc12 562166057 WOXYQCHXZXTNAG-HTAPYJJXSA-N 447.560 5.517 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(Oc2cncc(Cl)c2)CC1 567027289 KEMBUYWSJIJGDN-UHFFFAOYSA-N 449.963 5.441 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 603532615 JADVXNIHIYYMLB-UHFFFAOYSA-N 429.907 5.185 30 20 IKED C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1 603992792 YTDALHXIIVCQFM-KUHUBIRLSA-N 427.529 5.232 30 20 IKED C[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604464682 IZRUYFSOFLKUGS-INIZCTEOSA-N 433.895 5.162 30 20 IKED Cc1csc(-c2cccc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2)n1 607009962 SXLUDLQRDWLNRQ-OAHLLOKOSA-N 437.496 6.010 30 20 IKED CCC[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 608864730 PRMQPXIAFLJQIU-JOCHJYFZSA-N 446.517 5.192 30 20 IKED N#CCCSc1ccccc1NC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1 609378699 BPIXDCNHJMHGJQ-UHFFFAOYSA-N 430.501 6.275 30 20 IKED CCCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H](C)c1cc2ccccc2o1 609501827 FDGPUZUHTXJYIU-GOSISDBHSA-N 425.488 6.105 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(Oc4cnccn4)c3)cc2F)c1 609907401 RTVUYSRTEGSHOT-UHFFFAOYSA-N 440.434 5.111 30 20 IKED N#C[C@H](C(=O)c1sccc1Br)c1nc2cc(C(F)(F)F)ccc2s1 613404479 ODGJWATUOSSNCP-MRVPVSSYSA-N 431.258 5.629 30 20 IKED C=CCN1C(=O)c2ccccc2N[C@@H]1c1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 614429560 JUVCXKQTLHOXIE-QFIPXVFZSA-N 432.549 5.197 30 20 IKED C[C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1C(F)(F)F 615816467 PSXTYWHFKWCZFO-OAHLLOKOSA-N 429.442 5.031 30 20 IKED CCOc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc(OCC)c1OCC 642281334 AGTZUGQXBUKDLW-SFHVURJKSA-N 436.533 5.496 30 20 IKED N#Cc1ccc(NC(=S)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1Cl 726455777 GLNDBBFCHDTNCA-NXEZZACHSA-N 429.817 5.408 30 20 IKED CCOc1ccc(OCC)c(NC(=S)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 726899709 VAKUQKVIFLZEGH-QFIPXVFZSA-N 431.561 5.948 30 20 IKED CN(Cc1ccc(Cl)nc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728121148 AQKFQJIPVXOUCZ-UHFFFAOYSA-N 441.318 5.503 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)cc1 728466227 PWONVJFUDZSMTJ-HXUWFJFHSA-N 439.496 5.447 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nc(-c2ccccc2)cs1 730664366 GOLAGFBBCFVSSW-MBSDFSHPSA-N 438.556 6.348 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 730994276 INCAZQSAFUZYJG-UHFFFAOYSA-N 429.807 5.525 30 20 IKED Cc1cc(C)c(NC(=O)COC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(Cl)c1 732377387 KMLNTPDYTVJUEP-UHFFFAOYSA-N 448.906 5.611 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)cc1 733033002 BUUZBAHRWVRUOK-JOCHJYFZSA-N 449.457 6.006 30 20 IKED CCc1ccc(Cl)c(CC)c1NC(=O)NCc1ccc(OC)c(O[C@H](C#N)CC)c1 733617973 OZTJVPOFYYWYSO-KRWDZBQOSA-N 429.948 5.476 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Oc2cccc(NC(=O)c3ccco3)c2)cc1 734330088 FCEQAYJWEVLGHS-UHFFFAOYSA-N 438.439 5.202 30 20 IKED CC(C)N(C)Cc1ccccc1CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740033688 OHCCNOPCQACCDN-UHFFFAOYSA-N 432.593 5.126 30 20 IKED CC(C)c1nn(C)c(Cl)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 741556326 FSJPWFFHHUORRC-UHFFFAOYSA-N 426.879 5.039 30 20 IKED C=CCn1c(SC[C@H](O)c2ccc(C)cc2)nnc1-c1ccc(Br)cc1 743253721 TTWMWBBMCOBTQL-SFHVURJKSA-N 430.371 5.028 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)OC(=O)Cc1ccc(C#N)cc1 744319208 CIHOKUAUUSAMHZ-AWEZNQCLSA-N 441.350 5.600 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 747149814 HXONNCCZXCIFDS-QJOMJCCJSA-N 428.488 5.625 30 20 IKED C#CCN1CCC(C(=O)N(c2nc(-c3ccc(C)cc3)cs2)c2cc(C)ccc2C)CC1 747622660 OQJGNXKAUCUKIJ-UHFFFAOYSA-N 443.616 5.745 30 20 IKED C[C@@H](SCc1c(F)c(F)c(F)c(F)c1F)C(=O)Nc1ccccc1OC(F)F 750291452 JKJXUDQMEHJODD-SSDOTTSWSA-N 427.341 5.244 30 20 IKED Cc1cc(CSc2ccccc2C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)on1 752379809 NDXQTMQLKIBHFN-UHFFFAOYSA-N 430.451 5.076 30 20 IKED Sc1nnc(-c2ccccc2)n1N=Cc1cnc(-c2ccc(Br)cc2)s1 752721223 AXIMYLWQGGWIJF-UHFFFAOYSA-N 442.367 5.002 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C\C(=O)c1ccc2c(c1)CCC(=O)N2C 754689895 NFZMIATUWCUUNT-BENRWUELSA-N 433.939 5.007 30 20 IKED CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 755044350 KTRTUXPATXNGTH-JCGVRSQUSA-N 449.523 5.204 30 20 IKED N#Cc1ccc(NC(=S)Nc2cc(I)ccc2Cl)cc1Cl 757538085 KOBCZAMLTHAKOV-UHFFFAOYSA-N 448.116 5.279 30 20 IKED CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 759832455 CIYRXYANOSRXQI-WBVHZDCISA-N 433.961 5.189 30 20 IKED COC(=O)N(C)c1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1 761383662 YTDDCSPEWVZXHG-UHFFFAOYSA-N 435.867 5.459 30 20 IKED COC(=O)Nc1cc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cc(C(F)(F)F)c1 763366541 QXBNLNDGRYQJSW-CQSZACIVSA-N 446.212 5.185 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1csc(Cc2ccc(C)cc2)n1 768781545 SYOGFEYHPJGZJI-HXUWFJFHSA-N 431.561 5.128 30 20 IKED Cc1ccc([C@H]2NC(=O)N(c3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2=O)cc1C 771819617 QNATXWVVFQWABM-JTHBVZDNSA-N 429.907 5.410 30 20 IKED COc1cc(/C=C\C(=O)c2cnn(C(C)C)c2C)cc(Br)c1OC(F)F 787186394 ACKMQFYEVYIKDI-WAYWQWQTSA-N 429.261 5.041 30 20 IKED N#Cc1ccc(COC(=O)C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)cc1F 791399701 PYSIWKQWGYVJDC-UHFFFAOYSA-N 445.490 5.068 30 20 IKED C#C[C@H](NCc1csc(N(C(C)=O)c2ccc(C)cc2)n1)c1ccc(Cl)cc1F 809699496 PLEWXPURKDKLFN-NRFANRHFSA-N 427.932 5.393 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(Br)nc2)cs1 811697064 QOJDPWHLZUCGCU-TWGQIWQCSA-N 442.338 5.190 30 20 IKED Cc1cc(C(=O)COC(=O)CC2(C#N)CC2)c(C)n1C(c1ccccc1)c1ccccc1 815413993 MRMUPHMJPFQJAO-UHFFFAOYSA-N 426.516 5.162 30 20 IKED CCOC(=O)c1sc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c(C#N)c1C 894334359 GXPIHIAENBFMBH-UHFFFAOYSA-N 431.473 5.165 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC(c2ccccc2)c2ccccc2)cc1 915717576 FRRUWWOXVYTJKM-AREMUKBSSA-N 445.522 5.186 30 20 IKED C[C@@H](c1nnc(SCCCOc2ccc(C#N)cc2)n1-c1ccccc1)N1CCCCC1 915794535 PEIGIJLALSEJEB-FQEVSTJZSA-N 447.608 5.247 30 20 IKED Cc1ccc(-c2nn(Cc3ccccc3)cc2C=Nn2c(C)nc3ccccc3c2=O)cc1C 916541539 AFXRGZMGXLJCOJ-UHFFFAOYSA-N 447.542 5.116 30 20 IKED N#C[C@@H](C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)c1ccccc1 916622805 MBYHAECIPZXFKM-LJQANCHMSA-N 446.482 5.181 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@H](C#N)C(=O)Nc2ccccc2)cc1 916899203 MRBZGYAQEMGGEU-QHCPKHFHSA-N 437.499 5.124 30 20 IKED N#C[C@H](C(=O)CCc1cccc(Br)c1)C(=O)Nc1ccc(Cl)cc1Cl 916927753 CRXCPDQYISDNHH-CQSZACIVSA-N 440.124 5.036 30 20 IKED N#C[C@@H](C(=O)CCc1c[nH]c2ccccc12)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995706 GCSPNQFIJCWMDU-KRWDZBQOSA-N 440.355 6.407 30 20 IKED CC(C)c1cccc(N=C2NC(=O)[C@H](CC(=O)Nc3ccc(Cl)c(Cl)c3)S2)c1 917636935 VHPGVDPVUVRSEW-KRWDZBQOSA-N 436.364 5.365 30 20 IKED Cc1cc(-c2noc(CCC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)n2)ccc1F 918156130 PDFBWQQVDGBYON-JOCHJYFZSA-N 440.478 5.411 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)cc1 918566669 XVFCPFVQXYEFAG-WXFUMESZSA-N 449.579 6.640 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CCc3cccnc3C)CCC2)cc1 1786102511 OLJIJBLJGBUUCA-UHFFFAOYSA-N 431.580 5.225 30 20 IKED COc1cc(Cl)cc(C(=O)NC2(c3ccc(NC(=O)[C@@H](S)C(C)C)cc3)CCC2)c1 1786396158 QJAGXDDBBCEVPP-FQEVSTJZSA-N 447.000 5.051 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccoc4Cl)cc3)CCC2)cc1 1790206704 SJGSRRYECURLGN-UHFFFAOYSA-N 433.895 5.061 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)c(F)c3)CCC2)cc1 1790568425 YDEUKPOZNGPUHT-HNNXBMFYSA-N 445.922 5.028 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccncc1-c1cccc(C)c1 1796462236 SOWJBFQGEXHCJZ-UEQSERJNSA-N 443.591 5.077 30 20 IKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc3c2oc2ccccc23)cc1 1801201699 CTOIJENACNNIIB-WKCHPHFGSA-N 449.510 5.023 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2csc(-c3ccccc3)n2)n[nH]1 1818363098 VQTHLNFTYYPWJU-OXJNMPFZSA-N 449.580 5.051 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3sccc3s2)n[nH]1 1819031090 ZYXUFGPHLMLJTA-MRXNPFEDSA-N 440.594 5.185 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/C3CCCC3)[nH]n2)c1 1823218771 WLEIYERJXRMIMB-XIVIEHSASA-N 445.567 5.089 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CC2)C1 1823697757 BUWPUVWOOMDAIV-VWLOTQADSA-N 449.570 5.020 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ncccc3c2)CC1 1828032974 PWDXHZLEWGRYCR-RSXGOPAZSA-N 445.607 5.237 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Cl)c2)CC1 1829967992 JUZYJYPIJUHOHI-HSZRJFAPSA-N 429.004 5.342 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(OC)c2)CC1 1830463197 DEKAIWZCDKZNSR-DEOSSOPVSA-N 440.628 5.229 30 20 IKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1831855855 PIBDHOSCWILEGE-NRFANRHFSA-N 440.971 5.409 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 18064910 HXONNCCZXCIFDS-HAVVHWLPSA-N 428.488 5.625 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc(CC)cc2)cc1 22732167 VGAKYJNZXDMUJB-UHFFFAOYSA-O 437.560 5.434 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)NCCc2ccccc2)cc1 22735492 OTJAABVYXDGVEO-UHFFFAOYSA-O 431.625 5.233 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1nc(-c2ccccc2)c(C(C)C)s1 31777275 AQDSYAYFTVZKFA-UHFFFAOYSA-N 444.564 5.036 30 20 IKED Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccccc3-c3ccccc3C#N)c2)cc1 59787067 HEWHAHVLPUSEKV-UHFFFAOYSA-N 445.522 5.716 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2sc3ccccc3c2Cl)cc1 59799219 FSGUPHXDCSZOBQ-UHFFFAOYSA-N 432.932 6.452 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(CC)no2)nc2sc(-c3ccccc3)c(C)c2c1=O 72000753 WHFKENISSVPWRH-AWEZNQCLSA-N 438.578 5.418 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCc1c[nH]c2ccccc12 409479999 OSRCNJDAALZDLG-UHFFFAOYSA-N 430.321 5.010 30 20 IKED Cc1sc(CCNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)nc1-c1ccccc1 409669354 MZTNIZGUHVHCQJ-UHFFFAOYSA-N 443.528 5.135 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N(Cc3ccc(F)cc3)C3CCOCC3)c2)cc1 427744129 UMTKBXXGYHWPMC-UHFFFAOYSA-N 430.479 5.311 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc3c(c2)N(C(N)=O)CCC3)c1 427965284 BBSASFHRFKDIIA-UHFFFAOYSA-N 446.894 5.088 30 20 IKED COc1cc(Cl)c(Br)cc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 429119170 ZURVJTONPBICSP-JTQLQIEISA-N 433.611 5.015 30 20 IKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)cc(-c3cccs3)nc21 430607636 ZFVUBHCPXIINBD-OAHLLOKOSA-N 449.605 5.985 30 20 IKED N#CCCn1cc(CNc2cccc(C[S@@](=O)C3CCCCC3)c2)c(-c2ccncc2)n1 433316042 GNPXPNQXEASKRA-JGCGQSQUSA-N 447.608 5.052 30 20 IKED CC(C)c1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cn1 435055668 CSNXZIHGHVGUHZ-UHFFFAOYSA-N 430.455 5.395 30 20 IKED CC(C)COc1ccc(NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1Cl 437427154 KKZRZKKWQPMLIC-HNNXBMFYSA-N 445.972 5.346 30 20 IKED COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCC1CCC(C#N)CC1)CCO2 440990998 WDKHTBVWTJUIHI-IMQCZEGASA-N 433.552 5.061 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cccc(COC(C)(C)C)c1C 446513915 XWVAPNDBPHWLAW-UHFFFAOYSA-N 434.989 5.178 30 20 IKED N#C[C@@H](C(=O)c1ccc2cc(Br)ccc2c1)c1nc(-c2ccncc2)cs1 448317001 CGJXDBXJTWJYJS-SFHVURJKSA-N 434.318 5.611 30 20 IKED C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@](C)(OC)CC1 460803879 MAXXIOOKCLOWDN-DEOSSOPVSA-N 437.613 5.349 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CC[C@H](COCc3ccccc3)C2)cc1 461383501 ORDUWTJGNGHABP-DEOSSOPVSA-N 442.584 5.529 30 20 IKED COc1cccc([C@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)c1 461507940 PDEJKGLKIVBAHH-HSZRJFAPSA-N 441.560 5.277 30 20 IKED Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 462107848 BFNMXYGUUDDNPZ-OAQYLSRUSA-N 427.891 6.211 30 20 IKED CC(C)(C(=O)N[C@@H](C#N)c1ccccc1F)c1csc(-c2c(F)cccc2Cl)n1 464406329 PWPSQWQSVRCZTJ-INIZCTEOSA-N 431.895 5.400 30 20 IKED CCOc1ccc(-c2nnc(SCCCSCC#N)n2-c2ccccc2F)cc1 466606783 BAQVTEGXWLZGID-UHFFFAOYSA-N 428.558 5.211 30 20 IKED Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 467167236 BCQZTUDDCFLWCT-GOSISDBHSA-N 445.567 5.474 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C[C@H](C)C(=O)c1cccc(F)c1 468834199 DHTAXIMLTXQJQX-SFHVURJKSA-N 432.470 5.587 30 20 IKED CCOC(=O)c1ccc(C#N)c(S[C@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)n1 471254447 UOOQSLJAKBSWCP-SNVBAGLBSA-N 449.319 5.340 30 20 IKED Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 471847975 POYCDAKGMZMAIF-BVVFMGSASA-N 443.551 5.184 30 20 IKED COc1ccccc1[C@@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)OC(C)C 473673770 FZOWJEBJTQMIKO-LAUBAEHRSA-N 427.570 5.235 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(C)c(S(=O)(=O)NC2CCCC2)c1 476161073 TXNPJDVXZSZSFF-UHFFFAOYSA-N 440.609 5.320 30 20 IKED CCC(CC)[C@H]1C[C@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CCO1 477529543 JSYGEFHCIKPTSJ-RCZVLFRGSA-N 435.568 5.551 30 20 IKED C=C(C)Cn1c(Sc2ncnc3scc(-c4ccccc4)c23)nnc1-c1ccncc1 481824368 LOYAVQRAPVDXAX-UHFFFAOYSA-N 442.573 5.739 30 20 IKED N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 481913485 GCRVIKNIPYIUSY-GOTSBHOMSA-N 441.497 5.298 30 20 IKED Cc1cc(C)n(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2F)n1 483284513 QAIKWDRFGIXXAR-IBGZPJMESA-N 441.491 5.114 30 20 IKED C=CCSc1ccccc1C(=O)Nc1nc(-c2ccc(CCNC(C)=O)cc2)cs1 485754839 SSIHCYFHYFCEOU-UHFFFAOYSA-N 437.590 5.019 30 20 IKED CN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)C(C1CC1)C1CC1 496353841 AMWNMGFOKGSODV-UHFFFAOYSA-N 434.487 5.277 30 20 IKED COc1ccc(OCCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 504068958 LDLJYAPDMKYBGB-QFIPXVFZSA-N 435.911 5.205 30 20 IKED C=CCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 508474276 SMLJOXKOCUGXJX-OAQYLSRUSA-N 449.917 5.050 30 20 IKED CC(C)Oc1ccc(C#N)cc1N[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 512899800 BBNCEMLWABFLBI-GFCCVEGCSA-N 425.838 5.457 30 20 IKED COc1ccc(-c2ccc(C)c(NC(=O)c3occc3COc3cccc(C#N)c3)c2)cn1 512938497 CCIMWJNPBRRQLU-UHFFFAOYSA-N 439.471 5.362 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(COc4ccc(F)cc4)o3)n2)cc1 518516435 BTJUQQCVFLYMJO-HXUWFJFHSA-N 443.459 5.483 30 20 IKED COc1ccc(Cn2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cn2)cc1 518852195 ZBRAEOKDIAXGNF-HXUWFJFHSA-N 448.935 5.207 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3ncsc3c2)c1 520023557 TZNZRRWXNFCQBZ-UHFFFAOYSA-N 444.541 5.151 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H](C)c2cccc(OC(C)C)c2)cc1OC 520205498 YGKBGKMRZICCDC-INIZCTEOSA-N 434.374 5.661 30 20 IKED COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 520323452 CCWHDZRLCPHYBS-VWLOTQADSA-N 442.515 5.539 30 20 IKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 520889741 QXODWSPMNINFPQ-OAQYLSRUSA-N 432.593 5.191 30 20 IKED Cc1ccc(Cl)cc1N1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 521809321 AKYPMSFOJBWPNL-QGZVFWFLSA-N 428.989 5.397 30 20 IKED CC(=O)Nc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)ccc1C 524249915 NMZZOECLULSDSL-UHFFFAOYSA-N 433.895 5.310 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@H](CCO)c3ccccc3)cc2Cl)c1 525413237 IDUQGEFDGZGXRQ-JOCHJYFZSA-N 435.911 5.036 30 20 IKED CSc1ccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 527345454 JPGJPYLGJITDQH-HXUWFJFHSA-N 435.936 5.295 30 20 IKED C=CCn1c(SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)nnc1-c1ccc(F)cc1 535510984 LVUCFVNYEQHLQX-UHFFFAOYSA-N 437.456 5.126 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCO[C@H]3c3ccc(F)c(F)c3)cc2)cc1 537245847 APJVMZDZSDJBSE-GOTSBHOMSA-N 435.430 5.280 30 20 IKED CN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 539576464 CCZJWYAUYBTACU-VQTJNVASSA-N 426.442 5.395 30 20 IKED N#C[C@@H](C(=O)c1cc(OC(F)F)cc(OC(F)F)c1)c1nc(-c2ccccc2)cs1 540565195 ZHQMYAMXGIHADQ-HNNXBMFYSA-N 436.386 5.503 30 20 IKED COc1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)cc1OCc1ccc2ccccc2n1 548611687 DYTDZPPGVMQZST-UHFFFAOYSA-N 443.890 5.600 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(Cl)c(F)c1N1CCOCC1 549371261 FEFQCYSSSQLOFP-UHFFFAOYSA-N 444.359 5.251 30 20 IKED N#Cc1cc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cnc1C(F)(F)F 549938622 ABLJACIDIJEDBJ-UHFFFAOYSA-N 444.800 5.130 30 20 IKED C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H]1c1ccc(COC)o1 558453323 YBBYYOFDQMDGOF-TZIWHRDSSA-N 436.556 5.302 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(OCCC(C)C)CC1 558963352 KDKZRXGCYDLYNO-LJQANCHMSA-N 430.568 5.165 30 20 IKED N#CC[C@@H](Cc1nc(-c2ccc(Br)cc2OC(F)F)no1)c1ccccc1 569389906 ITUKGUKEXLZIII-ZDUSSCGKSA-N 434.240 5.340 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 583350021 GXMSXOWNSRQBNL-CUWPLCDZSA-N 437.613 5.234 30 20 IKED CCN(Cc1c[nH]c2ccccc12)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 588014975 QRLCTPKTCWITEH-UHFFFAOYSA-N 434.971 5.348 30 20 IKED CN(Cc1ccc(F)cc1Cl)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 593513477 HZKLNKXOIVNRDP-PJXYFTJBSA-N 434.783 5.530 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1 603521330 GTRVVWJUJAMKEY-UHFFFAOYSA-N 449.554 5.300 30 20 IKED COc1ccc2c(CC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)coc2c1 603673255 RVFVDDAFBCABJX-QFIPXVFZSA-N 430.891 5.931 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1Cl 603673414 SUXVYSRJCYZSLD-SFHVURJKSA-N 448.935 5.678 30 20 IKED CC(=O)N[C@@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 603758735 DARUIAKXUDUMTG-VWNXMTODSA-N 431.923 5.201 30 20 IKED Fc1cccc(F)c1-c1ccc(CNC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)o1 604414816 AVTSVDUHCGOQJN-GHMZBOCLSA-N 427.335 6.224 30 20 IKED Cc1ccccc1-c1cc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)c2cnn(C(C)C)c2n1 605363271 RQJJRPRQAAGJMR-FQEVSTJZSA-N 448.530 5.662 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3cnccn3)n2)cc1Cl 608937567 FPGCXHNKDBFQPR-LJQANCHMSA-N 445.935 5.090 30 20 IKED Cc1nc(-c2c[nH]c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)c2)cs1 609072814 IIZCFHUFBWSLMD-UHFFFAOYSA-N 448.935 5.803 30 20 IKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C(C)(C)c1ccccc1 609078191 OWBHYTIGRVAGLL-FQEVSTJZSA-N 427.548 5.819 30 20 IKED N#CCCSc1ccccc1NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 609375315 GVJKEQQORZQXTC-UHFFFAOYSA-N 435.496 5.892 30 20 IKED N#C[C@H](NC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1)c1cccc(C(F)(F)F)c1 609460737 DWCHECDAVZWLNP-INIZCTEOSA-N 427.304 5.080 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)NC[C@H]3CCN(c4ccc(Cl)cc4)C3)c2)cc1 609661107 TZKPVOCPZRSXLI-OAQYLSRUSA-N 445.950 5.047 30 20 IKED CC(C)(C)[C@H](CC1CCCCC1)NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N 609691081 BGOVFNCTVVQICF-QFIPXVFZSA-N 448.567 5.185 30 20 IKED C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 609845228 FPHULTVUQOTPEU-IRLDBZIGSA-N 432.568 5.469 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)c2)cc1 610598177 WDHBCKYGAWVDCY-CALCHBBNSA-N 428.332 5.163 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)cc1 611093812 FXKQSXZPJNKVSP-UHFFFAOYSA-N 438.270 5.790 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCC(OCc4ccccc4F)CC3)c2)c1 611261658 AROPSQMDFAJWRY-UHFFFAOYSA-N 444.506 5.098 30 20 IKED N#C[C@@H](C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 612941779 XHRFUUAQVIUASS-PMACEKPBSA-N 438.936 5.511 30 20 IKED Cc1cc(Br)cc(C)c1N(CC(F)F)C(=O)c1cc2ccccc2n1CC#N 613669522 TVLPUCNEPAMPAR-UHFFFAOYSA-N 446.295 5.456 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1nc2ccccc2o1 614439853 ORSDKIBUNLRYJP-MRXNPFEDSA-N 428.835 5.417 30 20 IKED C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 642281282 WEBXUEGLOLKAKE-UPRAQXHNSA-N 435.936 5.548 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCOc2c(Br)cccc2C1 684235535 ASEQVNURVHGHIQ-UHFFFAOYSA-N 429.358 5.728 30 20 IKED C#Cc1cccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccn3)SC2=S)c1 726628229 ZXFGLBZRFQEDRH-PXLXIMEGSA-N 428.538 5.048 30 20 IKED N#CCCCOc1cccnc1NC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 726958084 QEHZZLUDQTYCFD-WAYWQWQTSA-N 443.347 5.454 30 20 IKED Cc1cc(C(=O)Nc2ccccc2OC[C@H]2CCCCO2)c(C)n1-c1ccc(C#N)cc1 728269662 UEPQGJFAEOQLBG-JOCHJYFZSA-N 429.520 5.166 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2occc2CN2C(=O)Cc3ccccc32)cc1 728515510 DWHPPWDQOYJKSY-XMMPIXPASA-N 447.494 5.277 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(F)c(Cl)nc2Cl)cc1 728819543 XTCWIAOURWPMRK-UHFFFAOYSA-N 430.266 5.425 30 20 IKED N#Cc1ccc(NC(=S)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)cc1Cl 730151401 UGIVFIIGDPBOKI-UHFFFAOYSA-N 433.364 5.300 30 20 IKED N#C[C@H](C(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1)c1ccc2ccccc2n1 730393782 BNLDNJMRTMGDIT-DFBJGRDBSA-N 430.479 6.223 30 20 IKED Cc1noc(C)c1COc1ccc(CC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1 730416612 FFYQYAKEIKBAGN-SFHVURJKSA-N 435.480 5.038 30 20 IKED COC(=O)c1c(NC(=O)c2ccc(C#N)cn2)sc(C)c1-c1ccc(Cl)cc1Cl 730745526 RXVWDBHSQCEVQN-UHFFFAOYSA-N 446.315 5.336 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 730989675 MTVDPDOKJDTSEG-KPZWWZAWSA-N 434.348 5.377 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1OCc1cn2ccccc2n1 730996712 YVCVAKPMHOYBSS-GOSISDBHSA-N 442.544 5.417 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)C1(c2cccc(Cl)c2)CCC1 731066462 NSFUREVWFHTLHB-MRXNPFEDSA-N 442.968 5.195 30 20 IKED CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 732398620 AJKCHSPNTMCNNY-QZTJIDSGSA-N 443.503 5.443 30 20 IKED CCOc1ccc([C@H](NC(=O)NCc2cccc(O[C@H](C#N)CC)c2)c2ccccc2)cc1 733807440 UVZRFMPFIILNNE-JYFHCDHNSA-N 443.547 5.355 30 20 IKED C=CCn1c(COc2ccccc2F)nn(CN2CCC[C@]3(CC=CCC3)C2)c1=S 733992509 RMQGHHDGERPOGL-HSZRJFAPSA-N 428.577 5.098 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)NCc1ccccc1F 734156568 SCMJIQWVNULTGZ-MRXNPFEDSA-N 437.902 5.047 30 20 IKED C=CC[C@H](NC(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1)c1ccncc1 734457279 IXHTZTUAWZOOHZ-KRWDZBQOSA-N 430.339 5.140 30 20 IKED CC(C)N(CCC#N)Cn1nc(-c2ccccc2Cl)n(-c2ccccc2F)c1=S 739840938 BFHOVACBWJZQMV-UHFFFAOYSA-N 429.952 5.444 30 20 IKED CN1CCC[C@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)[C@H]1c1cccs1 743092699 AZHRQRKJADPUTQ-PFATUAPWSA-N 444.604 5.608 30 20 IKED CCc1ccccc1O[C@@H](C(=O)OCc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 744980966 KZDIXGFRWSRCOZ-XMMPIXPASA-N 439.471 5.034 30 20 IKED O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(-c2ccncc2)cc1 745990581 VDKZTCZROBCDES-OUKQBFOZSA-N 428.495 5.892 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 746168438 WSDFLOMLBIFRAM-PXNSSMCTSA-N 439.581 5.533 30 20 IKED CN(Cc1nc(C(F)(F)F)cs1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 746420056 CFJKNYTZNYSPCP-UHFFFAOYSA-N 436.484 5.104 30 20 IKED COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 746661349 YRUNIRKQBZWZMX-UIOOFZCWSA-N 425.532 5.892 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H]1c1ccc(Cl)cc1 752225115 UJCAJBOUBGAHBH-DEOSSOPVSA-N 431.923 6.078 30 20 IKED Cc1sc([C@@H](C)NC(=O)NCc2ccc(OCC#N)cc2)nc1-c1ccc(Cl)cc1 755149906 RJGMZWMSBWZRGP-CQSZACIVSA-N 440.956 5.235 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc(Br)cc(C(F)(F)F)c1 756505388 RCCZAUBTSONZFU-HNNXBMFYSA-N 449.226 5.463 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)NC2(c3c(Cl)cccc3Cl)CC2)ccc1OC 760169078 ACNONQPWRIZPNM-OAHLLOKOSA-N 448.350 5.171 30 20 IKED N#CCSc1ccccc1C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 760956688 VJDFSNTVUVILJG-UHFFFAOYSA-N 435.376 5.430 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c1=S 764884165 IUTBDONKWNNJTP-LJQANCHMSA-N 446.580 5.030 30 20 IKED N#CCCCn1cc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)c2ccccc21 769544799 PXWLFUUIKNORSL-UHFFFAOYSA-N 430.291 5.047 30 20 IKED Cc1cc(Br)cc2c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)coc12 770837839 CLSNCPIUIVDDKY-OAHLLOKOSA-N 431.673 5.118 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H]2CCc3c(Cl)cc(Br)cc32)ccc1OC 772986720 QLHVMWCCBJAEIY-BEFAXECRSA-N 449.776 5.569 30 20 IKED N#C[C@H](COC(=O)Cc1csc(-c2cccs2)n1)Cc1cccc(Br)c1 774398530 YASRLNHXHYACPL-CQSZACIVSA-N 447.379 5.102 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 778256179 IHAQCRSHZJTIHA-OAQYLSRUSA-N 434.883 5.268 30 20 IKED C=CCC[C@H](C(=O)OCc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1)c1ccccc1 778552604 OYXYATXLEDISGJ-DEOSSOPVSA-N 448.588 6.238 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)n1 779218678 QCAFQJGPWMZGAY-RXVVDRJESA-N 431.561 5.148 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 780149143 BGZHSFJJQQZJJI-KRWDZBQOSA-N 433.533 5.253 30 20 IKED N#CCC1CCN(Cn2nc(-c3cc(-c4ccccn4)nc4ccccc34)oc2=S)CC1 781571018 ATRKDRPDSGKZNE-UHFFFAOYSA-N 442.548 5.066 30 20 IKED C=CCC[C@@H](NC(=O)NCc1ccc(N2CCOC2=O)cc1)c1ccc(C(F)(F)F)cc1 783010996 IQQXOIFQKFOGBR-HXUWFJFHSA-N 447.457 5.169 30 20 IKED CC[C@@H](NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1ccccc1 787031750 MWNUIKWWWUFPTB-TZIWHRDSSA-N 433.895 5.117 30 20 IKED C[C@@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(Br)s1)c1ccc(Cl)cc1Cl 787050924 GLLICERHLPKQKB-KCJUWKMLSA-N 446.153 5.017 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 789720366 WKRDWRNHDSRFKN-UHFFFAOYSA-N 447.000 5.229 30 20 IKED CCCCCCCN(C(=O)NCc1cccnn1)[C@@H](C)c1ccc(Br)cc1 793193582 VSUFQHUDFSXBIB-KRWDZBQOSA-N 433.394 5.482 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCCc3cc(Br)ccc32)ccc1OC 794811998 VCKMWNHZXUPBIQ-AZUAARDMSA-N 429.358 5.306 30 20 IKED COC(=O)c1cnc(NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1C(F)(F)F 804344740 OYRBGUKYOJUJIZ-HTQZYQBOSA-N 438.290 5.208 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1ccnc(C(F)(F)F)c1 808423511 DJZPVBOPPJDVFD-UHFFFAOYSA-N 430.270 5.410 30 20 IKED F[C@@H](c1ccc(C(F)(F)F)cc1)c1noc(-c2ccc3nc(C(F)(F)F)cn3c2)n1 809497102 AFFBWHCSTZGQTC-AWEZNQCLSA-N 430.283 5.481 30 20 IKED Cc1ccccc1[C@@H](O)C1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 810281431 LRXRNSHCODUSHP-VWLOTQADSA-N 442.519 5.032 30 20 IKED N#C[C@@H](C(=O)Cc1cccc(OCc2cccnc2)c1)c1nc2cc(Cl)ccc2s1 810537507 VPLOOQFWLBIRIL-IBGZPJMESA-N 433.920 5.343 30 20 IKED COc1ccc2ccc(C(=O)[C@@H](C#N)C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)cc2c1 816038834 IKNXMDUWVAEPQA-ZUOKHONESA-N 441.314 5.355 30 20 IKED CCOC(=O)N1C/C(=C/c2ccc3ncccc3c2)C(=O)/C(=C/c2ccc3ncccc3c2)C1 916137497 ZKSSQMJHRCITMP-REPVBDINSA-N 449.510 5.291 30 20 IKED COc1ccc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)cc1OC(F)F 916333873 XAVJLLZPANTCGM-UHFFFAOYSA-N 445.278 5.033 30 20 IKED Cc1cc(C=Nn2cnc3ccccc3c2=O)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 916368312 BPUYSMNDRVUXFQ-UHFFFAOYSA-N 444.844 5.358 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc3nc(CC)c(CC)nc3c2)cc1 916914779 UVQWJKJCAVDDKQ-HXUWFJFHSA-N 428.536 5.058 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ncc(-c3ccccc3F)o2)cc1 916955955 VZNGJCKYHFQCAI-UZLBHIALSA-N 433.483 5.274 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCc3ncc(-c4ccccc4)o3)n2)cc1 916975359 YQDLDLFVYYZZLF-FQEVSTJZSA-N 427.529 5.973 30 20 IKED COc1ccc(-c2nnc(S)n2N=Cc2ccc(F)c(-c3cccs3)c2)c(OC)c1 917542913 YJRMPVMGDHBFKS-UHFFFAOYSA-N 440.525 5.001 30 20 IKED CC(C)c1cccc(N=C2NC(=O)[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)S2)c1 917634503 DKFDBVXDGXQPST-KRWDZBQOSA-N 435.471 5.077 30 20 IKED N#C[C@H](C(=O)Cn1ccc2ccc(Cl)cc21)C(=O)Nc1ccccc1Oc1ccccc1 920109375 QJJPOSUBUVFRNB-HXUWFJFHSA-N 443.890 5.435 30 20 IKED COc1cc(C=NN(C(=S)Nc2cccc(Cl)c2)C(C)(C)C)cc(OC)c1OC 920385781 YNGVDFCXRBHOFL-UHFFFAOYSA-N 435.977 5.197 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@@H]4C4CC4)cc3)CCC2)c(Cl)c1 1786053829 BNDBEHFDMXALPY-NHCUHLMSSA-N 433.939 5.005 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3c(F)ccnc3Cl)cc2)CCC1 1786991326 USIPYHHTIAUXBI-GOSISDBHSA-N 441.934 5.390 30 20 IKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccc(F)cc4)cc3F)CCC2)cc1 1787649030 OTBRKOBYDIUYCW-UHFFFAOYSA-N 445.469 5.293 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc4cnccc4[nH]3)cc2)CCC1 1789357796 IARWJCWCSXQIFC-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)c(F)cc3F)cc2)CCC1 1790611227 YXZNLTLAFYLWTG-UHFFFAOYSA-N 430.882 5.169 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc4ccncc34)cc2)CCC1 1790858677 VZAQHFQBMPBASX-QHCPKHFHSA-N 439.559 5.751 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ncc(Cl)cc3Cl)CCC2)cc1 1791727007 KGQDMHRGWQDCPW-UHFFFAOYSA-N 444.362 5.330 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c(-c3ccc(C)cc3)c1)C2 1798591606 CBWOLQIJJCRTSS-NUNAXRQHSA-N 433.596 5.234 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)cc(OC)c2)[nH]n1 1819556176 XHIJPUWIJMXLQK-OAQYLSRUSA-N 438.572 5.025 30 20 IKED CC(C)c1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)cc1 1820548807 HZUOBOXSUXDFRV-HSZRJFAPSA-N 441.535 5.024 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cc(C)cs2)CC1 1828821393 MKWCUSVOEFHFDO-BJKOFHAPSA-N 442.669 5.377 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccsc2)CC1 1828904170 RLYDRNFYWJCBTH-QFIPXVFZSA-N 444.717 5.033 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CSc2c(C)cccc2C)CC1 1829099709 KFEKHGDSGMLWGW-GGAORHGYSA-N 442.669 5.227 30 20 IKED CC(C)=CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#Cc2ccc(Cl)cc2)CC1 1830249594 JSDAWQIRRQXRNC-XMMPIXPASA-N 441.015 5.058 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccc(C)cc4s3)CC2)C1 1830978329 QZANVCIDCUZBKS-QFIPXVFZSA-N 436.621 5.409 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2C)nnc1-c1cccc(C)c1 16862917 IMHSQTFFLPTFSC-INIZCTEOSA-N 426.973 5.521 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C)cc2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 22733025 JMGXDFKXDPFARB-UHFFFAOYSA-O 444.407 6.203 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)NCCc2ccccc2)[n+]2ccc(C(C)(C)C)cc2)cc1 22791244 ZHTVOXDSEKWTPO-UHFFFAOYSA-O 445.652 5.605 30 20 IKED COc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccccc3)sc2C)cc1 23938855 KAXQGIYZTUYJCX-QGZVFWFLSA-N 448.544 5.224 30 20 IKED Cc1sc2ncnc(Sc3ccccc3C(=O)N(C)Cc3ccc(C#N)cc3)c2c1C 32618130 DBXHXBFZVJYHOX-UHFFFAOYSA-N 444.585 5.603 30 20 IKED COc1cc(/C=C2/CCC/C(=C/c3cc(Cl)c(O)c(OC)c3)C2=O)cc(Cl)c1O 35073436 HVOVCVCXCXFKMY-LRSUZXNRSA-N 435.303 5.642 30 20 IKED N#Cc1cccc(COc2cccc([C@H]3Nc4ccccc4C(=O)N3Cc3cccnc3)c2)c1 60791539 WBFHVIGYWVTUMH-MHZLTWQESA-N 446.510 5.299 30 20 IKED Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc(OCc4ccccc4C#N)cc3)[nH]c2c1 61229848 HTENDQXACXLZFT-VWLOTQADSA-N 436.515 5.299 30 20 IKED Cc1ccc2nc(COc3ccc(C(=O)N(Cc4ccc(C#N)cc4)C(C)C)cc3)cn2c1 63667617 BBFXHWIYYBRUJW-UHFFFAOYSA-N 438.531 5.144 30 20 IKED Cc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1Cl 255942519 OKRBXDFXSAOMKD-UHFFFAOYSA-N 435.936 5.503 30 20 IKED C=CCCc1ccccc1NC(=O)c1oc2ccccc2c1CSc1nnc(C)s1 410346826 LFZQEWFATWCPTC-UHFFFAOYSA-N 435.574 6.256 30 20 IKED N#Cc1cccc(COc2cccc(CNC[C@@H](CC(=O)O)c3ccc(Cl)cc3)c2)c1 426716330 VHNUQDDULOBNSW-JOCHJYFZSA-N 434.923 5.139 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)c1cc(Cl)ccc1Cl 426839149 YYMVGWBIQUMUDI-CHWSQXEVSA-N 436.364 5.204 30 20 IKED COc1cccc(/C=C(\CC(=O)N(C[C@@H](C)C#N)C2CC2)c2nc3ccccc3s2)c1 426973601 KZQPZYYSYABCHQ-DAQNXSASSA-N 431.561 5.386 30 20 IKED C=CC[C@H](C(=O)N[C@H]1CC[C@H](NC(=O)[C@H](CC=C)c2ccccc2)CC1)c1ccccc1 427645008 LRWVWNJHWMHDMB-RNMHASLLSA-N 430.592 5.250 30 20 IKED COc1ccc([C@H](C)NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1Br 431774649 FRPGBTANPSKOGW-KXBFYZLASA-N 430.346 5.253 30 20 IKED N#C[C@H](C(=O)c1cccc(OCC(F)(F)F)c1)c1nc(-c2c(F)cccc2F)cs1 432160530 DOJFETFVXRHHEW-CYBMUJFWSA-N 438.377 5.519 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CCCC(C)(C)[C@@H]1C#N 434023448 DZECWJLAWAHMHL-INIZCTEOSA-N 433.936 5.256 30 20 IKED CCC[C@@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccc(Cl)c(Cl)c1 434845567 ZNGVLQPDTAIWME-QGZVFWFLSA-N 435.355 5.018 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2O)cc1F 437476544 OHRKAELNRUPZBF-UHFFFAOYSA-N 425.419 5.510 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H](C)Oc1ccc(F)cc1 437981507 WOKRXHQOPBMHIX-SFHVURJKSA-N 433.483 5.174 30 20 IKED C[C@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)Oc1ccc(Br)cc1 438045571 UGZHTVYZLVAVNP-HUUCEWRRSA-N 448.386 5.432 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)c(C)c1 438842313 ORQQFYDDQFUFOG-IAGOWNOFSA-N 441.622 5.857 30 20 IKED CCCc1c(N[C@@H](C)c2ccc(OCc3nccn3C)cc2)cnn1-c1cccc(C#N)c1 439056545 LOFZPTRMTJSZOU-IBGZPJMESA-N 440.551 5.182 30 20 IKED C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](CCC#N)c2ccccc2)cc1 439425999 VAYXCSSSSUVQFV-CYFREDJKSA-N 443.572 5.640 30 20 IKED CSc1cccc(C)c1NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 439537827 UXOBIEXESWDEBB-UHFFFAOYSA-N 445.544 5.053 30 20 IKED CCCc1c(NC(=O)N(CCC)[C@@H]2CCCc3cccnc32)cnn1-c1cccc(C#N)c1 439670578 YTQWQLUJVKEKTA-XMMPIXPASA-N 442.567 5.413 30 20 IKED Cc1ccc(-c2ccc(CN(Cc3nnc(-c4ccc(C#N)cc4)o3)C(C)C)s2)cc1 441199646 DFXXLXKJVCGQNL-UHFFFAOYSA-N 428.561 6.056 30 20 IKED Cc1nc(-c2cccc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c2)cs1 442595338 FZEWYUAIJCCXGH-INIZCTEOSA-N 446.557 5.198 30 20 IKED C=CC[C@@H]1N(Cc2csc(N(C(C)=O)c3c(C)cc(C)cc3C)n2)CCCC1(C)C 444775693 AWIRZYURCMRPRR-QFIPXVFZSA-N 425.642 6.320 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)CCc2ncc(-c3ccc(C)cc3)o2)c1C#N 445564116 FFSYNRLEHKRUHU-UHFFFAOYSA-N 443.532 5.001 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1cnn(C2CCCC2)c1C)c1ccc(C(F)(F)F)cc1 446601815 QPTVIGQQDNUHQP-LJQANCHMSA-N 448.489 5.088 30 20 IKED C=C(C)COc1cc(CNC2(c3cccc(C(F)(F)F)c3)CCOCC2)ccc1OC 446838851 MSVFSKANRIBCFE-UHFFFAOYSA-N 435.486 5.464 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H]1c1cccc(F)c1 460566771 MHGXYGUYCRLODT-VXNXHJTFSA-N 432.543 5.580 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)C[C@H](C)c2ccc(F)c(Br)c2)cc1 461774708 JGTQSHCTLIPWCU-ZDUSSCGKSA-N 434.309 5.028 30 20 IKED COc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc(OC)c1OC(F)F 463667352 XAVVJNBHVLUMRR-UHFFFAOYSA-N 440.402 5.221 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](c1ncc(C)s1)C1CC1 466120012 ZEDVNOTUOMTTBZ-KRWDZBQOSA-N 438.366 5.202 30 20 IKED COc1ccc(-c2cncc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2)cc1 467074546 VPWOYPUIHZXZFX-JOCHJYFZSA-N 436.496 5.242 30 20 IKED CCOCCOCc1cccc(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1C 467710463 IUPYKMMOVANDJQ-UHFFFAOYSA-N 445.519 5.856 30 20 IKED CCNC(=O)Nc1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1C 468935513 MIWJSRPBUGCEHN-UHFFFAOYSA-N 448.910 5.706 30 20 IKED C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Br)cc1F 469175883 ZVDVXLDXPIDDKK-AWEZNQCLSA-N 430.321 5.344 30 20 IKED Cc1c(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cccc1NC(=O)N(C)C 471357565 PBFQFSIUWVAIKS-UHFFFAOYSA-N 430.533 5.364 30 20 IKED Cc1c(NC(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)cccc1C(F)(F)F 471832658 IYFWIIOPQJUGPK-UHFFFAOYSA-N 432.299 5.005 30 20 IKED C[C@@H](NCc1nnc(-c2ccc(Cl)cc2)n1C)c1ccc(-c2cccc(C#N)c2)cc1 473054837 UYBGQEIRNFMJAR-QGZVFWFLSA-N 427.939 5.525 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ncccc3Br)cc2Cl)c1 475604092 VCGDRGIAYGOSTF-UHFFFAOYSA-N 442.700 5.200 30 20 IKED C[C@H](NC(=O)CNc1ccccc1SC[C@H](C)C#N)c1ccc(OC(F)(F)F)cc1 476394056 BJEJEEAUCZCNJN-CABCVRRESA-N 437.487 5.126 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)cc1 479570629 ZWOLFRMVDQVJLR-UHFFFAOYSA-N 439.496 5.807 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 479585092 QBUXNMQAQGRFIR-UHFFFAOYSA-N 444.400 5.666 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)[C@@H](C#N)c3cnc4ccccc4n3)cc12 483211499 OYLNBUVVJVPORK-KRWDZBQOSA-N 443.919 5.482 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N[C@H](c1ccc(F)cc1)C(F)(F)F 485211413 DZJWXZYHQPQKRR-HUUCEWRRSA-N 426.307 5.561 30 20 IKED COc1ccc(CNCc2cccc(OCc3cccc(C#N)c3)c2)cc1OC1CCCC1 488497724 UHTRYXHGCCGEAF-UHFFFAOYSA-N 442.559 5.757 30 20 IKED Cc1cc(C)cc(-c2nnc(SCC(=O)Nc3ccccc3SC[C@H](C)C#N)o2)c1 488763125 IVRLRGYEIQMKSH-MRXNPFEDSA-N 438.578 5.336 30 20 IKED CC(C)Oc1ccc(-c2nc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cs2)cc1 502761495 TWXSQTUPTLIDSW-MRXNPFEDSA-N 431.439 5.501 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3cccc(CSc4ccccn4)c3)CC2)cc1 503461746 MRYWAVDWUUFYRI-UHFFFAOYSA-N 426.545 5.567 30 20 IKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 503625131 FTPFUYBXPRRFQV-UHFFFAOYSA-N 436.515 5.440 30 20 IKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccc(F)cc1 506802850 CJWOHFMENZMPAG-HSZRJFAPSA-N 449.457 5.081 30 20 IKED CCSc1ccc([C@@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 509211663 NEUABTFCPLZTPH-LJQANCHMSA-N 445.588 6.326 30 20 IKED C=CCN(C(=O)CCc1ccc(OCC)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 512378951 CCHGVFGDZRTVSQ-UHFFFAOYSA-N 437.521 5.269 30 20 IKED CCc1ccc([C@H](N[C@@H](C)c2ccc(C#N)cc2F)c2cccc(S(C)(=O)=O)c2)cc1 512628394 DZBOPOGRFSTAJI-GKVSMKOHSA-N 436.552 5.103 30 20 IKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)o2)cc1 513142765 HHAWLPKQHYIGJK-FQEVSTJZSA-N 447.416 6.221 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)s2)cc1 513172862 WGBIJZDLKISFOZ-INIZCTEOSA-N 431.439 5.421 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H]1c1ccccc1OC 515095488 LITBLMKNJFSAMU-SSPYTLHUSA-N 430.552 5.059 30 20 IKED CC(C)[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 515893135 QORKLZYZVWBTJZ-VWNXMTODSA-N 445.950 5.447 30 20 IKED CCOc1cc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)ccc1C 516319925 FUEGJVPAOVXPJA-UHFFFAOYSA-N 445.544 5.249 30 20 IKED N#C[C@H](C(=O)c1sc2cc(Cl)ccc2c1Cl)c1nc(-c2ccncc2)cs1 516331222 JQOKVALTSWHQSQ-CYBMUJFWSA-N 430.341 6.217 30 20 IKED N#C[C@H](C(=O)c1cccc(OC2CCCC2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 517503276 NDVQCJOJMMMINP-GOSISDBHSA-N 433.533 5.087 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 518755625 LDDCCRAEGQALJS-VGOFRKELSA-N 446.576 5.254 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)CCCOc3ccc(F)cc3F)c2)cc1 520027043 DVHZOUPEBHONET-UHFFFAOYSA-N 436.458 5.408 30 20 IKED Cc1nc(-c2ccc(CNCc3cccc(OCc4cccc(C#N)c4)c3)cc2)cs1 520962773 QMZLHYVILRGPQM-UHFFFAOYSA-N 425.557 5.859 30 20 IKED Cc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1NC(=O)C(C)(C)C 521120353 WRWXWABRKFVKGY-UHFFFAOYSA-N 441.531 5.683 30 20 IKED CCOc1ccc([C@H](C)NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1OC 521251714 JYCQTLBOPZHCJP-INIZCTEOSA-N 434.467 5.388 30 20 IKED CCN(Cc1ccc(OC)c(OC)c1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 521810305 LWFHMVKRYVZUSG-UHFFFAOYSA-N 431.492 5.422 30 20 IKED Cc1ccc([C@@H](C)CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 523479475 KCNRMGQOCIIXAN-FDDCHVKYSA-N 445.950 5.162 30 20 IKED C=C(C)COc1cccc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 523713169 UYUMBBTYMBDZID-RBBKRZOGSA-N 446.469 5.209 30 20 IKED Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 523881349 BNYMLWFCLCYPPF-UHFFFAOYSA-N 447.922 6.159 30 20 IKED C[C@](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)(C(=O)O)c1ccccc1 524406480 GFKGQUCRXOIWJE-RUZDIDTESA-N 448.906 5.162 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)Nc3ccccc3SCCC#N)ccc21 524537344 NRYXBAHTZNFCFF-UHFFFAOYSA-N 432.471 5.894 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N[C@@H](c3ccccc3)c3ccc4nc[nH]c4c3)o2)cc1 525626801 ZCVOBDDGYATPFB-SANMLTNESA-N 448.482 5.126 30 20 IKED Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 530603548 DWXAFLFDSOOOIF-GHTZIAJQSA-N 430.474 5.090 30 20 IKED COC(=O)c1ccccc1CCC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 534022993 PYHSZDBNDKQOQL-UHFFFAOYSA-N 436.455 5.069 30 20 IKED COc1cccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1F 535627237 UIIDPXSHPNMXEL-UHFFFAOYSA-N 435.402 5.024 30 20 IKED CO[C@@H](C)c1nc(CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cs1 536393507 ABAKBJJTNFRTJC-ZDUSSCGKSA-N 427.913 5.098 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccc(Br)cc2)nc1)c1nc2ccccc2[nH]1 537666919 YSSRCQBNWSOTHN-MRXNPFEDSA-N 433.265 5.003 30 20 IKED N#CC1(CCCSc2nc3cc(Cl)ccc3c(=O)n2C2CCCCC2)CCOCC1 539670256 RTRFEAZZBCWKOQ-UHFFFAOYSA-N 446.016 5.748 30 20 IKED Cc1ccc(-n2nc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)cc2C)cc1 540550749 IDGXWXMVXDKTLG-UHFFFAOYSA-N 438.535 5.135 30 20 IKED CN(C)C(=O)c1cccc(-c2noc(-c3cccc(Oc4cccc(Cl)c4C#N)c3)n2)c1 546988039 CPCZNRKNLGWGQU-UHFFFAOYSA-N 444.878 5.423 30 20 IKED COc1ccc(OC)c(CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C(C)(C)C)c1 554945719 HEDGJDVMLPAZKG-UHFFFAOYSA-N 445.519 5.204 30 20 IKED N#CC1CCN(c2nnc(COc3ccccc3-c3ccccc3)n2Cc2ccccc2)CC1 555179337 ACTBIFZNCQDRKK-UHFFFAOYSA-N 449.558 5.312 30 20 IKED Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)nn1-c1ccccc1 557541495 PPPDHXAWQMWNOF-UHFFFAOYSA-N 430.455 5.458 30 20 IKED CN(C)CCCCC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 561722141 ITEAOFIOEHLFJJ-AWEZNQCLSA-N 438.334 5.176 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H]3CCCN(Cc4cccs4)C3)cc2)c1 562872473 YARZPBKTYGDJRA-HXUWFJFHSA-N 446.576 5.446 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCN(CC(F)(F)F)CC2)cc1Cl 571292580 JPAHCUZEEFXTAO-LJQANCHMSA-N 435.877 5.208 30 20 IKED CCCc1nc2ccccc2n1CCC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 577448996 KEFBLOKQQYWYPS-UHFFFAOYSA-N 425.492 5.077 30 20 IKED CN1CC[C@@H](CNCc2ccc(C#N)cc2C(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 578404085 DIMKHPYUHDQLPG-OXJNMPFZSA-N 425.857 5.152 30 20 IKED N#C[C@H](C(=O)c1nc(-c2ccccc2)n2c1CCCCC2)c1nc2cc(F)ccc2s1 592973372 FBYSTZJNJHJUSO-QGZVFWFLSA-N 430.508 5.515 30 20 IKED COC(=O)CCSc1cc(Cl)ccc1NCc1cc(C#N)ccc1Br 600856567 OENARUWSUOXYHJ-UHFFFAOYSA-N 439.762 5.241 30 20 IKED C[C@H]1C[C@H]1c1ccc(CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C2CC2)o1 603689992 WJEYXUKXVCDKQL-KSFYIVLOSA-N 428.492 5.658 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CSc2cc(C#N)ccn2)cs1 603726890 HTULQLRGEWMAEB-UHFFFAOYSA-N 434.468 5.405 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3csc(Cc4ccccc4)n3)c2)c1 603995947 SUQHRHOPECBUIA-UHFFFAOYSA-N 438.512 5.110 30 20 IKED Cc1[nH]c2ccccc2c1C1=CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 604433927 CIUNJQHJTPRWRG-UHFFFAOYSA-N 449.514 5.857 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)Nc3cccc(COCc4ccco4)c3)s2)cc1 604456190 HDXNXRCBTHZOME-UHFFFAOYSA-N 444.516 5.559 30 20 IKED CC(C)N(CCC#N)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 608813806 GROIZUBIDCBLRM-UHFFFAOYSA-N 426.523 5.120 30 20 IKED Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 608877841 YAGANIWHTZLRLE-UHFFFAOYSA-N 441.556 5.304 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(COC4CCCCC4)c3)o2)cc1 609059158 KADLYEKHDUMEPC-UHFFFAOYSA-N 430.504 5.832 30 20 IKED N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 609096754 NNLCBVMOWRZFHJ-ZCYQVOJMSA-N 440.934 5.475 30 20 IKED N#CCn1c(C(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc2ccccc21 609166939 JXVBWIKTFJWUOQ-UHFFFAOYSA-N 443.894 5.715 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)CCCCCc3ccc(O)cc3)s2)cc1 609200425 CVEAEDMPWTWHJT-UHFFFAOYSA-N 438.578 5.149 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(OC[C@@H]4CCCO4)cc3)cc2)cc1 609500809 BOUNGYLEPDIDRK-VWLOTQADSA-N 428.488 5.355 30 20 IKED CCc1ccc(-c2nc(CC(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)cs2)cc1 609523237 GCVBNVGIXIGATH-IBGZPJMESA-N 429.467 5.315 30 20 IKED Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C 609745113 PNJOUWLCLYOJFW-UHFFFAOYSA-N 429.568 5.792 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CN(Cc3cccnc3)c3ccccc3)cc2)cc1 609821980 MOUGXEITJJKUMG-UHFFFAOYSA-N 434.499 5.391 30 20 IKED COc1ccc([C@@H](CNC(=O)N[C@@H](C)c2cccc(C#N)c2)c2c[nH]c3ccccc23)cc1 610400270 XFAIYLGOKQAYTO-MHECFPHRSA-N 438.531 5.240 30 20 IKED N#C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)c1ccc(Cl)cc1 619863757 ANIKKTRFFFCYGO-GOSISDBHSA-N 431.348 5.856 30 20 IKED O=C(c1ccc(Oc2ccc(F)cc2F)cc1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674444242 XZTMZDZOLDWIMW-KBPBESRZSA-N 439.302 5.570 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)c1C(F)F 676163685 UZVZYSJROXYXLL-UHFFFAOYSA-N 442.266 5.272 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)c1C(F)F 676673192 KZRYNPYSJUDQQD-UHFFFAOYSA-N 441.282 5.007 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cccc1-c1ccccn1 677257502 SWJNDNPOFLESRO-KRWDZBQOSA-N 437.446 6.176 30 20 IKED CCN(Cc1cc(Br)ccc1F)C(=S)Nc1ccc(C#N)c(Cl)c1 726484129 DZINZJUJVHFTGU-UHFFFAOYSA-N 426.742 5.332 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)CCCC3)[n+]2ccc(C)cc2)c1 726573192 PZCIKYIBXBYNKP-UHFFFAOYSA-O 425.577 5.466 30 20 IKED N#CCCCOc1cccc(/C=C(\Cl)c2nc(O)c3c(-c4ccccc4)csc3n2)c1 726741066 BGFOYOBXXZOWPB-ZHZULCJRSA-N 447.947 6.483 30 20 IKED CCOc1ccc(OCC)c(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 726902422 NROCITDOZDFINM-UHFFFAOYSA-N 447.560 6.265 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(Cc3ccc(F)cc3)n2)cc1 727038605 MIRGATUFLUVIPA-FOIQADDNSA-N 435.524 5.348 30 20 IKED COc1cc(-c2noc(CON=C(C)c3cc4ccccc4o3)n2)ccc1OC(F)F 727437987 WDFXXYPUAJONSG-UHFFFAOYSA-N 429.379 5.034 30 20 IKED C#Cc1cccc(N(C)C(=O)c2cccnc2Oc2ccc(F)cc2Br)c1 728481485 BPXMGVRATBBEBJ-UHFFFAOYSA-N 425.257 5.033 30 20 IKED CCOC(=O)N(C)c1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1 730175401 MHXZAARNRGKULH-UHFFFAOYSA-N 433.439 5.335 30 20 IKED Cc1nc(CCC(=O)OCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)oc1-c1ccccc1 730335159 IJEAALFKMKIARK-XQNSMLJCSA-N 444.531 5.006 30 20 IKED CCCOc1nc2ccccc2cc1/C=C\C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 731768070 ZXWIGSFRPAPKCR-JYBLJSLWSA-N 446.457 5.658 30 20 IKED C=CCOc1ccccc1CNC(=O)c1ccsc1NC(=O)c1ccccc1Cl 732145806 CDZRIPWYKRDFOX-UHFFFAOYSA-N 426.925 5.149 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1cccc(COc2ccccc2C#N)c1 734200955 KQMLLHLDLQASNA-UHFFFAOYSA-N 442.515 5.365 30 20 IKED CC[C@H](Cc1ccc(Cl)cc1)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 734963614 KQUWXAGXLCULPD-VWNXMTODSA-N 445.950 5.071 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)c3ccccc3C(F)(F)F)n2)cc1 744063142 YDOSDKCPXIRWTF-GUYCJALGSA-N 430.451 5.817 30 20 IKED C[C@@H](CC(=O)c1cccc(F)c1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 744075247 SKKONHOUTOEYMV-WFASDCNBSA-N 428.435 5.313 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)n1 747193718 NWIUZOLKOIFJTP-OAHLLOKOSA-N 435.496 5.828 30 20 IKED CCOc1cc(/C=C/C(=O)c2cnn(C(C)C)c2)cc(Br)c1OC(F)F 750908391 GEQFBZNUPNTTFN-AATRIKPKSA-N 429.261 5.123 30 20 IKED CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)Nc1ccccc1SC[C@@H](C)C#N 751548226 QBPAQCAVRJWQEP-UWJYYQICSA-N 429.561 5.301 30 20 IKED Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1nc(-c2ccccc2)cs1 755523027 CXDUQIRNMOCOLX-UHFFFAOYSA-N 432.361 5.546 30 20 IKED N#Cc1ccccc1/C=C1/CC2(C/C(=C/c3ccccc3C#N)C1=O)C(=O)Nc1ccccc12 755588335 PUDZIMRVRNSLFJ-GACBQCINSA-N 441.490 5.150 30 20 IKED C=C(C)[C@@H](CC(=O)OCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)OCC 756469667 GPRWHQYOHHYMRO-LLVKDONJSA-N 429.127 5.153 30 20 IKED CN(Cc1cc(Br)cn1C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 758536729 WCJNKDUROISSQB-NRFANRHFSA-N 437.341 5.107 30 20 IKED Cc1nc(SCC(=O)OCc2coc(-c3ccc(Cl)cc3)n2)c(C#N)c(C)c1C 760171390 AQFIGUKQHFAYOQ-UHFFFAOYSA-N 427.913 5.022 30 20 IKED C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 760184291 ROHKPJOEZDTFLK-IAQYHMDHSA-N 437.710 5.203 30 20 IKED CCC(CC)c1cc[n+](/C(C(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)=C(/O)c2ccc(C#N)cc2)cc1 762439244 FFDSGCDTMUSEJD-WDJPJFJCSA-O 446.640 5.739 30 20 IKED CC(=O)Nc1ccc(C(C)=NOCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 762688852 TUNMUOMRZRABER-OAQYLSRUSA-N 448.350 5.056 30 20 IKED N#Cc1ccc([C@H](O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1 763233251 QQXIRIFQGYBSMR-HXUWFJFHSA-N 435.599 5.681 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cc3c(s2)CCCC3)cs1 764431340 DTDVRIJOROAUTH-DHZHZOJOSA-N 442.993 6.318 30 20 IKED C=C(Cl)COc1ccc([C@@H](C)N[C@H](c2cc(OC)cc(OC)c2)c2nccn2C)cc1 764813932 LKROGNCLKVYGGP-UZUQRXQVSA-N 441.959 5.009 30 20 IKED CC1(C)CCCN(Cn2nc(-c3ccncc3)n(-c3ccc(Cl)cc3)c2=S)[C@H]1C#N 766112388 OUPAPRNFRUNGDF-IBGZPJMESA-N 438.988 5.090 30 20 IKED CCc1noc(C)c1C(C)=NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1 769798845 ZEAKZRQLVZYGCM-UHFFFAOYSA-N 425.554 5.338 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@H](c2ccccc2)C2CCOCC2)n(C2CCCCC2)c1C 775439080 LHKQWRXDURURRK-AREMUKBSSA-N 448.611 5.178 30 20 IKED O=C1/C(=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCc2ncc(C(F)(F)F)cc21 777469579 GNBYYJAUCMXQBX-WDZFZDKYSA-N 431.395 5.345 30 20 IKED CCOC(=O)Nc1ccc(NCc2cccc(OCc3cccc(C#N)c3)c2)cc1C#N 779600127 VGVHRSIEKLSJHF-UHFFFAOYSA-N 426.476 5.189 30 20 IKED N#Cc1ccsc1C(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F 781377041 YJXQBYIORFZRJF-IBGZPJMESA-N 430.451 5.015 30 20 IKED C[C@H](OC(=O)CC1CCC(C(F)(F)F)CC1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 783286640 HBKOHZGJEFSKOU-UEJVZZJDSA-N 447.322 5.011 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@@H]3CCCc4cc(SC(F)F)ccc43)ccc21 786960808 WFOSUBSJAXUKPS-OAQYLSRUSA-N 441.547 6.074 30 20 IKED CC[C@@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(SCc2csc(C)n2)cc1)c1ccccc1 787029763 APISHNQAQPSLPN-FCHUYYIVSA-N 449.601 5.334 30 20 IKED CC[C@H](NC(=O)[C@H](C#N)C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1ccccc1 787032645 RICROHYORZSOQC-CVEARBPZSA-N 443.981 5.044 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 788599432 YPFLKAZMOCKKSG-IRXDYDNUSA-N 438.553 5.262 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(Br)cc2C(F)(F)F)cc(OC)c1O 790234106 YFZTYDRFDLJJPC-UTCJRWHESA-N 431.204 5.087 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)c1nc(-c2ccccc2)cs1 796649447 HTMPEDMBFIIUQG-RCCFBDPRSA-N 428.435 5.689 30 20 IKED COc1cc(OC)cc(Oc2ccc(CNC(=O)c3ccccc3SCC#N)cc2)c1 803468950 DNAMSKNJXXHYET-UHFFFAOYSA-N 434.517 5.042 30 20 IKED O=C(N[C@H]1CCCC1(F)F)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl 809272974 MIOJZDAJDGVMDO-JTQLQIEISA-N 443.750 5.097 30 20 IKED N#C[C@@H](C(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1)c1ccc2ccccc2n1 815899853 FGYOHIUZVXUQTA-LJQANCHMSA-N 430.895 5.122 30 20 IKED CSc1nc(O)c(C(=O)Nc2ccc(-c3ccc(OC(C)C)cc3)cc2F)cc1C#N 817050092 AHBKCZWGBMQKKZ-UHFFFAOYSA-N 437.496 5.226 30 20 IKED CCOc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc(OCC)c1OCC 915085415 BJKVZQXBNNOTTH-HSZRJFAPSA-N 444.531 5.790 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N2CC=C(c3c[nH]c4ccc(OC)cc34)CC2)cc1OC 915288300 CQOTZLPFXHOCGW-POHAHGRESA-N 444.531 5.079 30 20 IKED Cc1cccc(OCCCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 916720784 OUWXYPVQVPGUPG-UHFFFAOYSA-N 429.520 5.231 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cccc(OCc2cccs2)c1 916917691 GBOQQQNATQPCMW-JOCHJYFZSA-N 426.497 5.441 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(Cc2ccccc2)n1 916932483 WLCXOIGXJAAXFG-CQSZACIVSA-N 430.316 5.002 30 20 IKED CCCc1noc(CCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1 916995753 FAPGKUCIMVRPQB-AWEZNQCLSA-N 449.363 5.652 30 20 IKED N#C[C@H](C(=O)COc1ccc(Cl)c(Cl)c1)c1nc2cc(C(F)(F)F)ccc2s1 917044240 PWNHCRCXIICLTM-LLVKDONJSA-N 445.249 5.877 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(N(C)C)cc2)cc(Br)c1OC(F)F 917142361 AXLVZRNBAOWMTJ-WTKPLQERSA-N 426.257 5.021 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccsc2)cc1 917683168 SXXRDBKRDCSSJA-HXUWFJFHSA-N 435.574 5.217 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 917715146 UEKQTIIYQOFURO-QXMHVHEDSA-N 441.556 5.177 30 20 IKED CN(Cc1csc2ccccc12)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 918275450 PFJPYSGEGFEMAJ-HSZRJFAPSA-N 439.540 5.154 30 20 IKED CN(Cc1ccc2ccccc2c1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 918302361 PSNDAHWWQWWXTN-AREMUKBSSA-N 433.511 5.092 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3ccccc3OC(F)(F)F)n2)cc1 920139408 TYEAJOZVRDDWKG-SDMNGIDPSA-N 444.434 5.607 30 20 IKED N#C[C@@H](C(=O)COc1ccc(C(F)(F)F)cc1)c1nc(-c2c(F)cccc2F)cs1 920807094 XRPZSTQMFHMSSO-ZDUSSCGKSA-N 438.377 5.362 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\COc3c(F)cccc3C2=O)cs1 921266410 OTROGVCANWHDHX-UKTHLTGXSA-N 428.872 5.279 30 20 IKED Cc1cc2cc(C(=O)NC3(c4ccc(NC(=O)[C@@H](S)C(C)C)cc4)CCC3)ccc2[nH]1 1786395326 ZEJUTSZFQDVZKN-QFIPXVFZSA-N 435.593 5.178 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)Cc4cc(F)ccc4Cl)cc3)CCC2)C1 1786623259 BZPCJUKGNIDERW-UHFFFAOYSA-N 426.919 5.122 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3nc(C(C)C)cs3)cc2)CCC1)C(F)(F)F 1787005677 UYFZHVJTOCNASF-UHFFFAOYSA-N 437.487 5.133 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CNc3ccccc3C)cc2)CCC1 1788111147 QGNCMAPNLPLBBL-QHCPKHFHSA-N 431.580 5.309 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](OC)c3ccccc3)CCC2)cc1 1789451474 JLWCOMBSJCXUGM-BJKOFHAPSA-N 432.564 5.277 30 20 IKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)o4)CCC3)cc2)c1 1790795124 ZTRBUTXCWSQOGW-UHFFFAOYSA-N 433.895 5.175 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@H](C)c3ccc(OC)cc3)CCC2)cc1)C(F)(F)F 1791302285 BFMHLVFZYWEELL-OAHLLOKOSA-N 446.469 5.051 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CC(F)(F)F)CCC3)cc2)c1 1792122164 DRNWYUQKXOCNRD-OAHLLOKOSA-N 429.442 5.014 30 20 IKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CCC(c3ccc(Cl)cc3)CC1)C2 1801634691 SYFQYGJSNHDIPZ-KIJMKMAZSA-N 443.031 5.464 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](F)c2ccccc2)n[nH]1 1815556605 BXJPBUYUWCHYDH-PZJWPPBQSA-N 426.536 5.105 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3ncccc3c2)n[nH]1 1818475133 IURLSZYJMKBOCW-QFIPXVFZSA-N 445.567 5.256 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](F)c2ccccc2)[nH]n1 1819552866 HIUZJSDPVHARKO-PZJWPPBQSA-N 426.536 5.105 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ccncc23)n[nH]1 1821411187 ARBGYWNAGXNNJM-QFIPXVFZSA-N 445.567 5.256 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)Nc1cc(C)cc(C)c1 10172643 QYRWCKFNEXOSMV-UHFFFAOYSA-O 431.625 6.328 30 20 IKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(F)cc2)cc1 10828892 JVKRPHBIKACPLV-UHFFFAOYSA-O 443.514 5.740 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(CC)cc2)=C(/S)Nc2ccc(C)c(F)c2)cc1 14872474 QSUSNVOASITCBD-UHFFFAOYSA-O 435.588 5.987 30 20 IKED C[C@H](OC(=O)c1c(Cl)cccc1Cl)C(=O)Nc1sc2c(c1C#N)CCCCC2 15711206 SSSBJWPRIVNQOP-NSHDSACASA-N 437.348 5.379 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccoc1C 21925485 MKCGKYKOHVTAPW-LBPRGKRZSA-N 437.352 5.459 30 20 IKED COc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2cccc(O)c2)cc1 22731111 CQRMTSYZTWSZLV-UHFFFAOYSA-O 448.351 5.046 30 20 IKED CCCN/C(S)=C(/C(=O)c1cccc(Br)c1)[n+]1ccc(C(CC)CC)cc1 22804031 MQRYFKMQKBAVHM-UHFFFAOYSA-O 448.450 5.579 30 20 IKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N(C)Cc1cccc(C#N)c1 25104783 BWYZAAODDUCRKZ-UHFFFAOYSA-N 425.488 5.168 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)Cc3csc4nc(-c5ccccc5)cn34)n2)cc1 57989990 POXMQYMBRXJZHC-UHFFFAOYSA-N 441.541 5.239 30 20 IKED Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)n1 64374189 LPAKWUJPZYYWAL-UHFFFAOYSA-N 438.512 5.021 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 64715039 GEETZIIYVAHBJE-LJQANCHMSA-N 441.462 6.117 30 20 IKED N#CCCn1cc(CNCc2ccc(CN3CCc4ccccc43)cc2)c(-c2ccccc2)n1 237833476 QTXGTAZPVPEAAH-UHFFFAOYSA-N 447.586 5.316 30 20 IKED Cc1ccc([C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)c2cccc(S(C)(=O)=O)c2)cc1 301470506 ORVZFYYXMKTDLD-JOCHJYFZSA-N 444.478 5.491 30 20 IKED CCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)[C@@H](C)c1cccnc1 303681420 KIPGELOWDOOCKK-KRWDZBQOSA-N 434.927 5.801 30 20 IKED CCCc1ccc([C@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C(C)C)cc1 409458874 XVEUXGRBSJPPKF-RUZDIDTESA-N 446.595 5.268 30 20 IKED CCc1ccc(OCc2nnc(SCc3cccc(C#N)c3)n2Cc2ccccc2)cc1 409576067 MFYDDVXKSCOUGU-UHFFFAOYSA-N 440.572 5.632 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C4CC4)nc4ccc(F)cc34)n2)cc1 435459940 WCKGJZOMDLYIIP-FQEVSTJZSA-N 443.503 5.873 30 20 IKED C=CCC[C@@H](NC(=O)N(CCC)Cc1nc(O)c2ccc(Cl)cc2n1)c1ccccc1 435762600 TZIPMWRTMFYJFA-HXUWFJFHSA-N 438.959 5.618 30 20 IKED N#Cc1csc(C(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)c1 437553997 DGMXQMMGGLUYFE-UHFFFAOYSA-N 435.892 5.759 30 20 IKED COc1cc(C)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cn1 437772141 JNOGTPQRCVPHQQ-YADHBBJMSA-N 442.519 5.495 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 437847707 SSXCDGWPHABCCL-VQTJNVASSA-N 439.441 5.195 30 20 IKED Cc1cccc([C@H]2CCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1C 437889592 NZKFCMPXWFBYAZ-RUZDIDTESA-N 438.531 5.796 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1ccc(Oc2cccc(C#N)c2)cc1 439600730 YDQJCAKIFVSLID-LJQANCHMSA-N 440.503 5.106 30 20 IKED Cc1nc(C2CCCC2)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 442674856 AFCQVQBZYJVOHA-INIZCTEOSA-N 427.982 6.376 30 20 IKED COc1cccc(C(=O)c2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)c1 444004395 RHMHJJWDMCHONT-KRWDZBQOSA-N 430.529 5.573 30 20 IKED CC(C)n1nc(-c2ccco2)cc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 447862947 WQPFAYZXLDACLA-UHFFFAOYSA-N 442.544 6.140 30 20 IKED CC(=O)c1cccc(O[C@H](C)C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)c1 460337237 XONBLWPIEOMFHF-GOSISDBHSA-N 432.907 5.415 30 20 IKED N#CCCN(C(=O)CCC(=O)N1CCc2cc(-c3cccc(F)c3)ccc21)c1ccccc1 464877293 IOMFUZAWUFRZCG-UHFFFAOYSA-N 441.506 5.109 30 20 IKED Cc1c(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cnn1-c1cccc(C(F)(F)F)c1 464937947 LGYHYZARWJATKW-IFMALSPDSA-N 438.453 5.112 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 464941833 PDIWBSUDLDCVGW-IEBWSBKVSA-N 443.494 5.546 30 20 IKED N#CCCCn1cc(C(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c2ccccc21 469668118 ATXAFMNVHZKMSL-SFHVURJKSA-N 432.593 5.300 30 20 IKED Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 470261783 VPDFNSDVMFUXAJ-UIOOFZCWSA-N 426.516 5.096 30 20 IKED Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 470269037 RVEZYACEIDCGOI-IZZNHLLZSA-N 426.516 5.504 30 20 IKED CC(C)(C)OC(=O)CCc1cccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 471351147 TYXZMJWKLFNOJV-XZOQPEGZSA-N 433.552 5.265 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCNC(=O)[C@H]1c1c(F)cccc1Cl 475575741 SFZWHKPLVKQVIL-OAQYLSRUSA-N 429.923 5.036 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 476141913 JUMLSHRSWDBJAF-UHFFFAOYSA-N 435.593 5.218 30 20 IKED CN(C(=O)c1ccnc(C#N)c1)[C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 476303980 VNZVODYRYMPYAO-FQEVSTJZSA-N 440.728 5.231 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cccc(Cn3ccnc3)c2)cc1 477490458 MOZNOBANBKALET-UHFFFAOYSA-N 438.556 5.025 30 20 IKED Cc1sc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)nc1-c1ccc(Cl)cc1 479213447 VAAHLRHLYKSBDX-UONOGXRCSA-N 425.941 5.288 30 20 IKED C=C(C)[C@@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(F)c(F)c1 479424900 SHVJXEDVLLBGMN-HSZRJFAPSA-N 426.894 6.278 30 20 IKED C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(Sc2ccccc2C#N)cc1 480555344 ORQMTKSDYZLMOX-SFHVURJKSA-N 439.544 5.123 30 20 IKED CCN(C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1)CC(F)(F)F 480814645 XTIRQZFESGBMNT-KRWDZBQOSA-N 446.473 5.089 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCc1nc2ccccc2n1C(F)F 481343042 JRZAPTPDRSGHAB-UHFFFAOYSA-N 427.480 5.080 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)nnc1-c1cccc(OC)c1 481364787 CMMYMIDNJOYVPF-ZDUSSCGKSA-N 446.935 5.052 30 20 IKED C=CCn1c(S[C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)nnc1-c1ccccn1 481392184 SJAKKIDUTHZNQB-CQSZACIVSA-N 438.944 5.007 30 20 IKED N#CC1(F)CCN(C(=O)Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)CC1 482417302 AZTDJHRTJYAFOK-UHFFFAOYSA-N 430.892 5.602 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)c1nccc2ccccc12 483226637 KETCJNRRBCDFKP-IBGZPJMESA-N 433.920 5.722 30 20 IKED Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(C)C 483280250 CNGVAKNJXIIUNW-XMMPIXPASA-N 427.504 5.111 30 20 IKED CCc1c(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cnn1-c1ccccc1Cl 485348087 HNMLSJSXCWCWBR-UHFFFAOYSA-N 449.942 5.035 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCN(C4CC4)c4cc(Cl)ccc43)cc2)nc1 486618204 VANVHGKHIXXUMH-UHFFFAOYSA-N 430.895 5.028 30 20 IKED CC(=O)c1cc(NC(=O)N[C@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)ccc1F 486786598 MIMZGVYBLSDWPD-OAHLLOKOSA-N 438.299 5.352 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cccc(NC(=O)C3CCCCC3)c2)cc1 487907726 IWKKLBHXSAYMIZ-UHFFFAOYSA-N 443.469 5.282 30 20 IKED N#Cc1ccc(CSc2nnc(-c3cccs3)n2Cc2ccco2)c(OC(F)F)c1 489453645 ZNUIXJPWRZCACK-UHFFFAOYSA-N 444.488 5.413 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(C(F)(F)F)nc3O)cc2Cl)cc1 491020643 OBBYHJKCTPQKLW-UHFFFAOYSA-N 433.773 5.376 30 20 IKED C[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 491030555 WOWRHUSTMHFAFZ-OAHLLOKOSA-N 425.916 5.027 30 20 IKED Fc1ccc(-c2nc(CN[C@H](c3ccccc3OC(F)F)C(F)(F)F)co2)cc1F 491330483 TXCQJIRRHYKQPJ-MRXNPFEDSA-N 434.311 5.614 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 495623806 KBDQBKKKULOUOL-ZFWWWQNUSA-N 436.606 5.218 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1ccc(-c2ccccc2OC)cc1 498015082 MWLLVJTZBUJPES-NRFANRHFSA-N 446.595 5.989 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 500310501 JRWVZZDKPKYZKK-UHFFFAOYSA-N 447.438 5.182 30 20 IKED Cc1ccc(C[C@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 502617423 HWOSECOFQIGHCG-RUZDIDTESA-N 439.559 5.879 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c12 503899559 FSNCQGZEGALAAS-UHFFFAOYSA-N 441.579 5.419 30 20 IKED C[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1nc(-c2ccccc2)cs1 504094730 JYGNQKGKXBDYNW-CYBMUJFWSA-N 446.454 5.506 30 20 IKED N#C[C@H](C(=O)c1ccc(CCC(F)(F)F)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 504554386 LALUPSCNCJTNPG-OAHLLOKOSA-N 445.466 5.261 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@H](C#N)c1ccccc1F 505923749 XWCFTZAQDXDFJI-SCLBCKFNSA-N 429.904 5.137 30 20 IKED N#CCCn1cc(CN2CCc3sccc3[C@H]2c2cccs2)c(-c2ccccc2)n1 506717550 DDLKRSBLKNSUNN-DEOSSOPVSA-N 430.602 5.734 30 20 IKED Cc1c(C#N)cccc1C(=O)Nc1ccc(NC(=O)c2cccc(C#N)c2C)c2cnccc12 511315010 MFNGQLPCPKQMME-UHFFFAOYSA-N 445.482 5.100 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccccc2OC(F)F)cc1 511395585 DHNJOAJUCXTZSP-UHFFFAOYSA-N 437.446 5.255 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(CSc2nnc(C)c(C)c2C#N)cs1 511885986 GJBMKDFZLXNZBP-UHFFFAOYSA-N 429.958 5.052 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 515428285 JHBGVEHXNFXKAO-UHFFFAOYSA-N 435.402 5.323 30 20 IKED COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 516837945 FLPZUBTXLTXCOL-MRXNPFEDSA-N 446.463 5.015 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cccc(CN3CCCC3)c2)cc1 516842440 PDIFZTFKKZLATM-UHFFFAOYSA-N 441.600 5.376 30 20 IKED COc1ccc(C(=O)C2CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)cc1 517474061 LTXKNJIMOIEKHY-KRWDZBQOSA-N 437.565 5.074 30 20 IKED CC(C)(c1noc([C@@H](C#N)Cc2ccc(C#N)cc2)n1)c1cc(Br)ccc1F 519673827 ZEBHHYYSRCDJJZ-OAHLLOKOSA-N 439.288 5.019 30 20 IKED Cc1ccc(C(=O)CCC(=O)CCC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)s1 521291956 FWGVLAFRTMFCOP-INIZCTEOSA-N 437.348 5.057 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 521326024 CWOGCANZOKXVAO-LBPRGKRZSA-N 432.427 5.402 30 20 IKED N#C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(Cl)c1Cl 521769903 WVQGKBMQYDBPIY-CQSZACIVSA-N 433.276 5.020 30 20 IKED Cc1cc(C)n(-c2ccc(-c3noc(-c4cccc(COc5ccccc5C#N)c4)n3)cn2)n1 522285445 PIRZAQFVIDTYEV-UHFFFAOYSA-N 448.486 5.052 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 522578008 OCWARXQBASYIEA-UHFFFAOYSA-N 431.879 5.148 30 20 IKED Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c12 523647582 DKEHKXSASFWRKO-INIZCTEOSA-N 443.413 5.433 30 20 IKED C=CCN(C(=O)[C@H]1C[C@H]1c1c(F)cccc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 523844894 ZTGSNTHREJETNG-CVEARBPZSA-N 441.459 5.319 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2Cl)c1 524405509 VCZBMZXXXGFKFB-UHFFFAOYSA-N 442.258 5.605 30 20 IKED CCCc1c(NC(=O)c2cnn(-c3ccccc3)c2C(C)C)cnn1-c1cccc(C#N)c1 527385942 OIUYTDAOTYKQPW-UHFFFAOYSA-N 438.535 5.258 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)CCSc3ccccn3)s2)c(C(F)(F)F)c1 531024428 FZJHWPKKICQXJG-UHFFFAOYSA-N 448.495 5.140 30 20 IKED CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 532384900 GYIZUHIQBQXNKD-GOSISDBHSA-N 435.524 5.326 30 20 IKED CC(C)(C)S(=O)(=O)Cc1cccc(NCc2cccc(OCc3ccccc3C#N)c2)c1 533216831 HEQQMEBXLWAREF-UHFFFAOYSA-N 448.588 5.463 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CN(C)Cc2cccc(C#N)c2)cs1 534489277 SDKOWSQDUJMMRS-UHFFFAOYSA-N 444.482 5.350 30 20 IKED CC(C)Cn1ncc(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1C(F)F 535540876 WYRAQXBPOYZNNN-UHFFFAOYSA-N 425.439 5.785 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC(OCc3ccccc3)CC2)cc1 537008982 XWASFDUELCVCEJ-UHFFFAOYSA-N 425.532 5.116 30 20 IKED C=CCC[C@H](NC(=O)N1[C@H]2CC[C@H]1CC(N(C)C(=O)c1ccccc1)C2)c1ccccc1 537453384 CKDZFCTULKSWAY-LSQMVHIFSA-N 431.580 5.171 30 20 IKED CC(C)(C)OCc1ccccc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 540209621 SIKNYGSZYZWEFL-UHFFFAOYSA-N 427.504 5.378 30 20 IKED C[C@@H](NC(=O)N(C)Cc1ncc(-c2ccccc2)[nH]1)c1ccc(-c2cccc(C#N)c2)cc1 541159111 RVWZEKQBKTUAKV-LJQANCHMSA-N 435.531 5.518 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 543213394 SDSWREIDBNPLTP-UHFFFAOYSA-N 447.878 5.153 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 544165961 GSRPXTFUIDNTIO-UHFFFAOYSA-N 448.331 5.266 30 20 IKED Cc1ccccc1-c1nc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cs1 550812696 OTAISGWBYSVFLU-CQSZACIVSA-N 437.496 6.010 30 20 IKED C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1cccc(Br)c1Cl 551108438 AZWWGKOCWBZDNM-LLVKDONJSA-N 445.791 5.155 30 20 IKED C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1cccc(Br)c1Cl 551108439 AZWWGKOCWBZDNM-NSHDSACASA-N 445.791 5.155 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 554429980 IISLPLBCHRRERL-VWLOTQADSA-N 446.526 5.009 30 20 IKED CCCCCC(=O)Nc1ccc(C(=O)Cn2cc(C#N)c(=O)c3cc(C)cc(Cl)c32)cc1 554871741 FHMZSVUVWMFTIX-UHFFFAOYSA-N 449.938 5.237 30 20 IKED COc1ccc(OC)c(-c2csc(NC(=O)c3sc4ccc(C#N)cc4c3C)n2)c1 555967685 SOIOWCVVNNDWFN-UHFFFAOYSA-N 435.530 5.474 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1 557701061 WKISTCNRWDIPQO-MRXNPFEDSA-N 445.363 5.046 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 561216172 XACFFARDDOKRLU-UHFFFAOYSA-N 449.334 5.271 30 20 IKED C=CCC[C@H](N[C@H]1CCCc2ccc(S(N)(=O)=O)cc21)c1ccc(C(F)(F)F)cc1 570323471 NPOJWVSQABKJFA-SFTDATJTSA-N 438.515 5.027 30 20 IKED C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1c1nc2ccccc2s1 573251417 LYWRCBSWBMFZHG-JXFKEZNVSA-N 449.555 5.694 30 20 IKED N#Cc1cccc(-n2ccc(-c3nc(-c4ncoc4-c4cccc(C(F)(F)F)c4)no3)n2)c1 576073829 OMNUYDSJXVCKMU-UHFFFAOYSA-N 448.364 5.135 30 20 IKED N#Cc1cccc(COc2cccc(CNc3ccc(C(=O)Nc4nccs4)cc3)c2)c1 576263037 YJSBYPYTGPNZPF-UHFFFAOYSA-N 440.528 5.458 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)CC1 581081165 KOXVYLWQHCQCIA-QUCCMNQESA-N 442.485 5.003 30 20 IKED C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 583506371 ZAEWQBRJNZUPMR-SFHVURJKSA-N 449.505 5.248 30 20 IKED C=CCN1CCC(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2cccs2)CC3)CC1 592068611 DALPTBFNXBMLIJ-ISLYRVAYSA-N 429.589 5.163 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)oc2ccc(Br)cc12 592973216 ASZKKSLLNDVANZ-CYBMUJFWSA-N 429.270 5.743 30 20 IKED Cn1ccnc1Sc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 603638989 JOKRTEVFRGPAEU-UHFFFAOYSA-N 440.528 5.274 30 20 IKED N#Cc1ccnc(N2CCN(C(=O)Nc3cc(Cl)ccc3Sc3ccccc3)CC2)c1 603649369 BLKGLPZMXHVGIF-UHFFFAOYSA-N 449.967 5.112 30 20 IKED N#Cc1cc(NC(=O)N[C@H](CC(F)(F)F)c2ccccc2)ccc1OCC(F)(F)F 604084375 MGTAIWBDTSFMAA-OAHLLOKOSA-N 431.336 5.315 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)cc1Cl 604085200 UVWAJZSYAIBCGF-UPVQGACJSA-N 433.914 6.504 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1C[C@H]1c1c(F)cccc1F 604789577 YOFLSTXSMRAPCC-ZZPVQSCKSA-N 430.339 5.029 30 20 IKED N#C[C@H](C(=O)c1cccc(Oc2cnccn2)c1)c1nc2cc(C(F)(F)F)ccc2s1 606147699 YTWBSFYHKNQSAP-OAHLLOKOSA-N 440.406 5.387 30 20 IKED COc1ccccc1-c1noc([C@@H](C)NC(=O)Nc2cccc(C#Cc3cccs3)c2)n1 608273165 IMFZLZJPQVZVII-MRXNPFEDSA-N 444.516 5.089 30 20 IKED COc1cccc2c1OCC[C@H]2NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 608785272 JPRXUKNMXRRLOT-JOCHJYFZSA-N 429.476 5.313 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1-c1ccc(Cl)cc1 608860753 ACJWICLMPRGSHX-UHFFFAOYSA-N 433.939 5.237 30 20 IKED Cc1ccc(OC2CCN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)CC2)cc1C 609058317 ZHZGEBYOXLYZOJ-UHFFFAOYSA-N 430.504 5.031 30 20 IKED COc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1Br 609073762 VLRGSXIYCZBNNM-UHFFFAOYSA-N 437.293 5.161 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCOc4ccccc43)s2)c(C(F)(F)F)c1 609102427 WJINDVMZBAVKBY-KRWDZBQOSA-N 443.450 5.129 30 20 IKED Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3ccc(F)c(C#N)c3)c2c1C 609103187 WOVAZPRWKPVSDY-UHFFFAOYSA-N 434.521 5.722 30 20 IKED Cc1ccc(C(=O)N[C@H](CC(=O)Nc2cc(C#N)ccc2OC(C)C)c2ccccc2)cc1 609228066 ABGZDHZRHPZWHS-HSZRJFAPSA-N 441.531 5.154 30 20 IKED CCc1ccc(-c2nc(CC(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)cs2)cc1 609523268 IBVCELJEXXJSEN-LJQANCHMSA-N 430.360 5.603 30 20 IKED COc1ccc(CN(C)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c(OC)c1 609723378 LSSSLSXJTGRVKZ-UHFFFAOYSA-N 436.895 5.293 30 20 IKED C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](C#N)c1ccccc1Br 609993918 CIHMFQXJGHGUKQ-SJCJKPOMSA-N 425.248 5.028 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)c2)cc1 610598179 WDHBCKYGAWVDCY-IRXDYDNUSA-N 428.332 5.163 30 20 IKED N#CCCN(C(=O)c1cc(Oc2cccc(Br)c2)ccn1)c1ccc(F)cc1 610772454 DGIAJWRORQXHCH-UHFFFAOYSA-N 440.272 5.336 30 20 IKED CC(C)NC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 613319724 LQYDYAQTCLRXLS-SFHVURJKSA-N 438.940 5.483 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 618848200 QXMOHDCFGONPNE-QFIPXVFZSA-N 444.362 5.243 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2OC)C(C)C)nnc1-c1ccccc1F 639394639 NVMCWIRXXZRZFX-FQEVSTJZSA-N 440.544 5.034 30 20 IKED C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC(OCc2ccccc2F)CC1 669807598 BBELJOLLVIFYRY-UHFFFAOYSA-N 443.526 5.004 30 20 IKED O=C(CCN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)Nc1cccc(C(F)(F)F)c1 674369003 OJSMYXIWKCCANC-RYUDHWBXSA-N 436.318 5.097 30 20 IKED O=C(Nc1cc(F)ccc1Oc1ccccc1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674564519 FPMFITIPWBSLQK-ZIAGYGMSSA-N 436.327 5.823 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2cccc(Cl)c2OCC(F)F)c1C(F)F 685231447 CTHUHEZJSAOVKI-UHFFFAOYSA-N 447.738 5.409 30 20 IKED COc1ccc(Nc2nc(Cl)c(C=NNc3ccc(Br)cn3)s2)cc1 727265862 ANDIVLMZSOTMEQ-UHFFFAOYSA-N 438.738 5.152 30 20 IKED CC(=O)c1cccc(NC(=O)CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 728052434 HSSITMCOMVDEMJ-UHFFFAOYSA-N 433.895 5.044 30 20 IKED Cc1cc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)c(C)n1-c1ccc(C#N)cc1 728267998 FWHLLYVVXGKGGQ-SFHVURJKSA-N 440.547 5.233 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728299647 UKMUTAKPOMJOON-GOSISDBHSA-N 445.538 5.840 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 729573068 SAVUXKLUYYWDOQ-UHFFFAOYSA-N 448.445 5.588 30 20 IKED N#C[C@H](C(=O)CCSc1ccccc1Br)c1nc2cc(F)ccc2s1 730418529 WXCQOQVUYDWGGG-GFCCVEGCSA-N 435.343 5.557 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccnn1C1CCCCC1 732430567 MSEBNOFDTWYMRT-UHFFFAOYSA-N 435.341 5.510 30 20 IKED C#CCN(C(=O)Nc1ccc(SC)cc1)[C@H]1CCOc2ccc(Br)cc21 733616883 GVKHSWMHVAMKAK-SFHVURJKSA-N 431.355 5.162 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2COc2ccccc2)ccc1OC 733626816 VYBSVYQGXSHVJU-OAQYLSRUSA-N 445.519 5.277 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3cccc(Br)c3C2)cc1 735742325 DLJJDGDLJMGTDK-OAQYLSRUSA-N 446.348 5.695 30 20 IKED CCOCCOc1ccc(Br)cc1/C=C/C(=O)c1c(Cl)nc2ccccn12 737445597 BDMLQLQBUWLBGF-SOFGYWHQSA-N 449.732 5.062 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 739550727 KSWQJDPTCANVRL-JTHBVZDNSA-N 449.551 5.078 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1Oc1ccccn1 741000701 NRJHKLAAQOZTNA-KRWDZBQOSA-N 447.516 5.064 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)cc1 742057665 ZQEPWRBRDQMOHF-UHFFFAOYSA-N 427.291 5.445 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 744028010 GXRJMZOFVHZWRQ-OAHLLOKOSA-N 428.797 5.385 30 20 IKED CC(C)c1nn(C)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc12 744031468 XSPXOAFOKSBOAB-LBPRGKRZSA-N 435.336 5.026 30 20 IKED C[C@@H](OC(=O)c1occc1COc1cccc(C#N)c1)C(=O)Nc1ccc2ccccc2c1 744926783 LLVKCWJDLWNFMX-QGZVFWFLSA-N 440.455 5.067 30 20 IKED FC(F)(F)c1cccc(Oc2cccc(C=Nn3c(S)nnc3[C@H]3CCCO3)c2)c1 745986660 OFCSLWBSLNQXOB-QGZVFWFLSA-N 434.443 5.112 30 20 IKED COC(=O)[C@@H]1CCC[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1 751153832 XCEFJDGELIUVFI-ZOWXZIJZSA-N 437.348 5.273 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)cc1 754404822 APFGXRBHWXYVJC-HSZRJFAPSA-N 445.950 6.071 30 20 IKED COc1ccccc1-c1ccc([C@H](C)NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 761721826 QYMXDZCYEJTPPC-AFMDSPMNSA-N 441.531 5.078 30 20 IKED N#CCc1ccc(NC(=O)CNc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)cc1 762474193 OIOOQNFCJGZZCU-UHFFFAOYSA-N 432.229 5.051 30 20 IKED C=CCn1c(-c2ccccc2C)nn(CN(C)[C@H]2CCCc3nc(C)sc32)c1=S 764991477 SDJPKSGULGIILI-IBGZPJMESA-N 425.627 5.307 30 20 IKED CCn1c(COc2ccc(C)cc2)nnc1SCc1cc(Cl)ccc1OCC#N 768412314 PFFRKMBYYQDQLD-UHFFFAOYSA-N 428.945 5.034 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N2C(=O)N[C@@H](c3cccc4ccccc34)C2=O)cc1 771974748 JGLKDQJMZYHGPS-VWLOTQADSA-N 449.466 5.310 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc(-c3ccccc3OC)cc2)ccc1OC 772978582 GGCXZMGDYYAUGD-AUSIDOKSSA-N 430.548 5.903 30 20 IKED C=CCSc1ccccc1NC(=O)COC(=O)c1csc(-c2ccc(F)c(F)c2)n1 780136600 VAWMKAFYJJYXGO-UHFFFAOYSA-N 446.500 5.162 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 780146682 CPZHZSCEDOXVOQ-CYBMUJFWSA-N 431.439 5.301 30 20 IKED CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 780315752 XKGIPIBYFZHLGK-SFHVURJKSA-N 446.457 5.669 30 20 IKED CC[C@@H](NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(Cl)s2)n1)c1ccccc1 787039248 QJKSPOQUGUPHER-ZIAGYGMSSA-N 429.954 5.115 30 20 IKED CCCCCCCCOCc1cccc(NC(=O)N2C[C@H](C)OC3(CCOCC3)C2)c1 790496608 WPRAFBGNVHZJIO-NRFANRHFSA-N 432.605 5.366 30 20 IKED Cc1ccc(NC(=O)NCc2ccc(C#N)cc2)cc1Oc1ncccc1Br 790539377 OTALRDMZLCBSHM-UHFFFAOYSA-N 437.297 5.138 30 20 IKED N#C[C@H](C(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1nccc2ccccc12 792095241 VMCLEIZXJDCTQD-NBGIEHNGSA-N 430.866 6.024 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2C[C@H](C)CC[C@H]2c2ccccc2OC)c1=S 795673659 HLTVHWMODOBYFF-NQIIRXRSSA-N 435.597 5.101 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)NCC1(c2ccc(Br)s2)CCC1 806401366 PYPFZONPWZPCRB-ZDUSSCGKSA-N 434.359 5.045 30 20 IKED CN(C(=O)c1ccnc(C(F)(F)F)c1)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 808720021 LPOBESCZHXGXDP-ZDUSSCGKSA-N 430.270 5.495 30 20 IKED Cc1csc(NC(=O)c2ccc3c(ccn3CCCNC(=O)OC(C)(C)C)c2)c1C#N 809004935 ACHKQBMQUMENNO-UHFFFAOYSA-N 438.553 5.050 30 20 IKED C#C[C@@H](NC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)c1ccc(Cl)cc1 810150670 ZWLXKNJPGJQXHQ-HXUWFJFHSA-N 433.895 5.097 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cnc(OC2CCCCC2)c(Cl)c1 815907685 HSMLCKVTHHIHPJ-OAHLLOKOSA-N 432.307 5.061 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1nc2ccccc2s1 915097825 AUJLMRHVHSQSBZ-RDJZCZTQSA-N 444.343 5.084 30 20 IKED COc1cc(/C=C(/C(=O)c2nc3ccccc3s2)c2ccccc2)cc(OC)c1OC 916133576 AAUBRUPKLGKGQH-QGOAFFKASA-N 431.513 5.746 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccccc1SC(F)(F)F 916478229 OLABLNOQAXQFPM-UHFFFAOYSA-N 441.368 5.968 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(Oc3ccc(F)cc3F)CC2)cc1 916679618 ULXBIPXKKAOVGC-QHCPKHFHSA-N 447.485 5.696 30 20 IKED Cc1ccc(CCC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1Cl 916847692 UCBOANPOSUPFDN-HNNXBMFYSA-N 425.941 5.047 30 20 IKED CC(C)(C)c1ccc(OCc2ccc(C(=O)[C@@H](C#N)C(=O)NC3CCCCC3)cc2)cc1 916893739 GNUNYLPJUJZRLS-XMMPIXPASA-N 432.564 5.334 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 916897551 OFQRUHWCJKQGIH-FUTAKVPZSA-N 440.343 5.393 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(C#Cc2ccccc2)cc1 916902166 DVIIBHNTSLKRDE-OAQYLSRUSA-N 442.902 5.018 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)COC(c1ccccc1)c1ccccc1 916905202 BLZKUFIRVGSQIK-DEOSSOPVSA-N 440.543 5.265 30 20 IKED CCOc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1 917563291 OSUNJTGLXLYAHB-JYRVWZFOSA-N 426.925 5.776 30 20 IKED C=CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1OC 920143629 YZEDQMDUVVCPPZ-CLOLKSBNSA-N 441.512 5.145 30 20 IKED Cc1nc(CSc2ccc(C(=O)OC[C@@H](C#N)Cc3ccc(F)cc3)cc2)cs1 920876618 NUASHGPNHUYCOL-QGZVFWFLSA-N 426.538 5.422 30 20 IKED CSc1nc(O)c(C(=O)N(C)[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)cc1C#N 1265722940 HGGOLMCGGDSNPL-LJQANCHMSA-N 441.915 5.035 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(-c5cccnc5)cc4)CCC3)cc2)C1 1785808096 NTTWHEZSRRRMCD-UHFFFAOYSA-N 437.543 5.463 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)c3ccc(OC)cc3)cc2)CCC1 1786038790 PJTAYEZWWZWEIJ-KRWDZBQOSA-N 442.506 5.144 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4cccs4)CCC3)cc2)c1 1790255690 GXUQDHXZZZWMQS-UHFFFAOYSA-N 429.545 5.000 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@]4(F)CCCC=C4F)CCC3)cc2)c1 1790258040 AGASCVHPJXOJLQ-VWLOTQADSA-N 435.474 5.052 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc4c(c3)CCO4)cc2)CCC1 1791391899 LQOCLOWAEITMRS-DEOSSOPVSA-N 444.575 5.067 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cccc(Cl)c3OC)cc2)CCC1 1792145460 PMRUNBOEBIJXEU-UHFFFAOYSA-N 444.984 5.016 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1ccccc1C 1796473255 QYQULYBOZYZSCY-BJESRGMDSA-N 443.591 5.077 30 20 IKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1-c1ccc(C)cc1)C2 1802631965 PEIFEZHTPLUWOK-BKFWDETESA-N 428.576 5.107 30 20 IKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4ccc(C)cc4s3)[nH]n2)C1 1814397484 KYPWOABZMPPSPG-IBGZPJMESA-N 434.565 5.205 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)s2)n[nH]1 1816399160 HTHJMTDRRMUBEB-GOEBONIOSA-N 432.977 5.199 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2oc3ccccc3c2C)n[nH]1 1818566522 BNFOXBYDDAYHJL-OAQYLSRUSA-N 446.551 5.539 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cccnc3s2)n[nH]1 1818573002 NGKQYEAXEGUGPP-IEBWSBKVSA-N 449.580 5.094 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)[nH]n1 1819556178 XKDIBLIMGPVZJZ-QFIPXVFZSA-N 447.583 5.118 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccsc2)CC1 1824140978 COFOVSZTNGZCLB-HSZRJFAPSA-N 428.642 5.069 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3nc(C)sc23)CC1 1828096099 MOAUBDLFIMLZJE-VGSWGCGISA-N 439.625 5.050 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 1828831102 ZNGKLONUYBTWJT-QEGGNFSNSA-N 434.624 5.178 30 20 IKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2occc2C)CC1)c1ccccc1 1829032877 OPIZUMUDOGFJKZ-DQEYMECFSA-N 446.591 5.019 30 20 IKED C=CCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccc(Cl)cc1Cl 9826157 IPHCLLZCZXDNFE-UHFFFAOYSA-N 445.375 5.119 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)c(F)c1)=C(/S)Nc1ccc(C)c(F)c1 11082949 XDMVSNDUDLPVMH-UHFFFAOYSA-O 429.487 5.313 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)cc1Cl)[n+]1cccc(C)c1 14871722 XZUUKFOAJJBOTF-UHFFFAOYSA-O 444.407 6.203 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 18958881 JAGDMHVBNYMCAS-UHFFFAOYSA-N 446.890 5.023 30 20 IKED Cc1ccc(C(=O)/C(O)=N/c2nnc(SCc3c(Cl)cccc3Cl)s2)cc1 21677748 MBNIQXWPWGVKET-UHFFFAOYSA-N 438.361 5.917 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1C1CC1 21875695 VBUFSGXTFVEPKS-OAHLLOKOSA-N 442.585 5.176 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2)nnc1-c1ccc(Br)cc1 21927664 AKKXTDXZBMGRMR-AWEZNQCLSA-N 443.370 5.013 30 20 IKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 22112924 ZLCQAQHKKJYUSH-IVCQMTBJSA-N 449.938 5.155 30 20 IKED Cc1ccc(C)c(N/C(S)=C(\C(=O)c2ccc(C)s2)[n+]2ccc(C(C)(C)C)cc2)c1 22729814 VHXSOXQHHBGGMZ-UHFFFAOYSA-O 437.654 6.309 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccc3c(c2)CCCC3)c(C)[nH]1 23603648 VZBFRMVDGOBHHS-UHFFFAOYSA-O 432.613 5.466 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2cccc3ccccc23)c1 28782868 IBLPTFOPSYNMJR-UHFFFAOYSA-O 442.520 5.395 30 20 IKED C=CCc1cc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)cc(OC)c1OC 60828091 CGHNJCFZWWKYIL-UHFFFAOYSA-N 440.503 5.137 30 20 IKED COc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc2c1OCCO2 107649070 JOPJTRDRPOTDHZ-IBGZPJMESA-N 434.879 5.028 30 20 IKED COc1ccccc1Oc1ccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1 110943701 ZEURDVGOXBQJBC-UHFFFAOYSA-N 443.503 5.153 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(CNCC#Cc2ccc(C(F)(F)F)cc2)cs1 236785374 ORMNRYYCRGUMCI-UHFFFAOYSA-N 447.457 5.127 30 20 IKED CCN(C[C@@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)CC2 303087824 CCUSFWZMYFSMLT-BAOGPQIGSA-N 425.532 5.352 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N(Cc3ccccc3)CC3CCOCC3)c2)cc1 303568596 BESPEEHEDCTLAE-UHFFFAOYSA-N 440.543 5.206 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1ccc(C#N)c(C#N)c1 303829991 OLIKXLJRWWUKKQ-UHFFFAOYSA-N 438.871 5.097 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1 429765308 ATGCTBMVCVMCML-JYFHCDHNSA-N 445.494 5.086 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O 430628178 OJUWFUOERLGIIZ-UHFFFAOYSA-N 428.463 5.288 30 20 IKED C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 435090172 WQFBVFFAYPZKCL-KRWDZBQOSA-N 446.576 5.545 30 20 IKED C=CCC[C@H](NC(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1ccccc1 435602187 BIOABPWCFQFFTA-DEOSSOPVSA-N 440.609 5.763 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(CC(=O)Nc1ccccc1SCC#N)C1CC1 435637928 ORKUSPSLKDQUSE-OAHLLOKOSA-N 433.499 5.485 30 20 IKED CC(C)Oc1ccc(NC(=O)c2ccccc2SCc2cn3ccccc3n2)cc1C#N 435684371 SPMLZUULQDVQFS-UHFFFAOYSA-N 442.544 5.538 30 20 IKED N#CCC[C@@H](NC(=O)c1cc(Br)sc1Br)c1ccccc1 439679081 SRXRQJCOLKCVGX-GFCCVEGCSA-N 428.149 5.048 30 20 IKED Cc1ccc(CN(Cc2ccco2)C(=O)NCc2ccc(C#N)cc2)c(Br)c1 442151040 CYHGARBCDBBWPR-UHFFFAOYSA-N 438.325 5.134 30 20 IKED CC(C)(C)Cc1nc(-c2cccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)c2)no1 442669678 HSQQBLZFZHGUPD-IBGZPJMESA-N 442.544 5.939 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1-c1nc([C@@H]2CCOC[C@H]2C)no1 442680625 MIWSKTKZVFLVHI-RDTXWAMCSA-N 438.553 5.215 30 20 IKED N#Cc1ccc(F)c(CNC(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)c1 443953037 QARYTUOJVDHDAS-UHFFFAOYSA-N 447.857 5.408 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1SCCc2sccc21 463747939 JCPLTSCTNFQQOP-INIZCTEOSA-N 428.526 5.742 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)cc1 464919995 BAXDHNXWFVFILM-UHFFFAOYSA-N 433.895 5.267 30 20 IKED C[C@@H](O)C[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1 468863267 FYFZEPZEMXXCFU-AUSIDOKSSA-N 430.573 5.135 30 20 IKED N#CCCCN1C(=O)CCc2cc(NCc3cc(Br)ccc3Cl)ccc21 468887560 JJYVUPZZEZXUSJ-UHFFFAOYSA-N 432.749 5.298 30 20 IKED Cc1cnn(Cc2ccccc2F)c1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 470183515 COZJSIYOZYKKHJ-UHFFFAOYSA-N 440.478 5.082 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(Cl)cc3Br)s2)cc1 471148230 QWZNTVCQDVAWJS-UHFFFAOYSA-N 432.730 5.274 30 20 IKED Cc1csc(Sc2ccc(NC(=O)[C@@H]3CCCN(c4nc(C)ccc4C#N)C3)cc2)n1 471342821 ZDRHIFCOXMMSHO-GOSISDBHSA-N 449.605 5.033 30 20 IKED CSc1cccc([C@@H](NCc2nnc(-c3ccc(C#N)cc3)o2)c2ccc(F)c(F)c2)c1 471643394 HXNKGYQQKFAIJH-HSZRJFAPSA-N 448.498 5.488 30 20 IKED C=CCc1cc(CNC(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)cc(OC)c1OC 481445651 RCSSUOJNNGNKLN-UHFFFAOYSA-N 439.556 5.047 30 20 IKED C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 482442710 XKOQSXIYQGDGLQ-XWIASGKRSA-N 434.327 5.264 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 483358608 MXUONSNNSWKPMF-JCTONOIOSA-N 448.636 5.457 30 20 IKED CCCN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 483633500 GQHDEKRHQOUBCX-AMGIVPHBSA-N 429.539 5.945 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc2cc(Br)cnc12 486848677 WYQCLTKVSULUOV-ICSRJNTNSA-N 435.325 5.301 30 20 IKED N#CCCC[C@@H](NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccccc1 487388873 MZABKAZBAUHGQW-OAQYLSRUSA-N 439.437 6.058 30 20 IKED N#CC1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2Cl)CCC3)CC1 489487979 YAKKFZPTNNUZRU-SILNSSARSA-N 441.962 6.141 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)c3nc(-c4ccc(F)c(C)c4)no3)o2)cc1 489815308 YEDHKPATVOCUPJ-CQSZACIVSA-N 438.484 5.652 30 20 IKED CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1 490174166 LBMDXCCZWKIIFN-UHFFFAOYSA-N 447.922 5.782 30 20 IKED CC(C)c1nnc(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)s1 495219408 HXGTWWHZBKIFML-UHFFFAOYSA-N 441.944 5.343 30 20 IKED N#C[C@@H](NC(=O)CCCCc1nc2ccccc2s1)c1cccc(Br)c1 496303777 MJDGSUQFUVRRMG-QGZVFWFLSA-N 428.355 5.153 30 20 IKED Cc1cc(C(=O)Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)c(C)n1CCc1ccccc1 502854199 CAPRGZHDLOOOJN-UHFFFAOYSA-N 443.934 5.071 30 20 IKED C=CCN(C(=O)c1ccccc1[N+](=O)[O-])c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502947712 WGSVNXJUOJUEHG-UHFFFAOYSA-N 434.304 5.858 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)CSc1nnc(-c2ccccc2)n1[C@H](C)CC 504055083 GNKNYNCPUXSIQM-GOSISDBHSA-N 438.572 5.362 30 20 IKED N#C[C@H](NC(=O)CCc1ncc(-c2ccccc2Br)o1)c1ccccc1Cl 505695001 QYTQNUCLNFAOMB-KRWDZBQOSA-N 444.716 5.071 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CSc2ccc(C#N)cn2)cs1 505847968 JYFZDKJMDGZIRC-UHFFFAOYSA-N 434.468 5.405 30 20 IKED FC(F)(F)COc1ccc(CN[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cn1 505874256 GTSQIBDOCBSEBQ-CQSZACIVSA-N 432.286 5.435 30 20 IKED COc1ccc2nc(C3CC3)cc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)c2c1 507544524 LGDJVQBUZDSFNI-UHFFFAOYSA-N 439.437 5.197 30 20 IKED Fc1ccc([C@H](CC(F)(F)F)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 507822766 JBEOEMJQMUQCJJ-KRWDZBQOSA-N 431.355 5.814 30 20 IKED Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](c1nc(-c3ccc(F)cc3C(F)(F)F)no1)CC2 508039929 KFADDICBNOQTHT-VIFPVBQESA-N 446.326 5.284 30 20 IKED C=CCOc1cccc(NC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)c1 509098023 KPJZEIUXFGXYAP-UHFFFAOYSA-N 444.556 5.185 30 20 IKED CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 510858566 WRHRFNFIZFCYEZ-UHFFFAOYSA-N 429.476 5.442 30 20 IKED CC(C)c1c(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccc(Cl)cc1 513173330 YNBIYGNBEMXXKP-MRXNPFEDSA-N 432.833 5.553 30 20 IKED Cc1noc(C)c1COc1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 515540114 JDCYAOHZZVONMV-INIZCTEOSA-N 436.418 5.105 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2nc3ccccc3o2)c(C)c1 515597612 SBYSMCXIFYILIP-OAQYLSRUSA-N 432.483 5.787 30 20 IKED C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 518153594 TYSUAGPUSHLGMM-UHFFFAOYSA-N 445.906 5.157 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 518496648 AJSPZLNDABOQNS-VWLOTQADSA-N 431.511 5.417 30 20 IKED CC(C)[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc2c(c1)OCCO2 520195629 FXVIHMKTPJTUHJ-ZHRRBRCNSA-N 425.554 5.371 30 20 IKED CCCN(CCC)C(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1 521209902 RTUCYJCTNXLPIE-UHFFFAOYSA-N 434.584 5.511 30 20 IKED Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccc(OCc3cccc(C#N)c3)cc1C)CCC2 522091811 UGPMSCZMMDYQES-HSZRJFAPSA-N 446.576 5.752 30 20 IKED COc1ccc(C[C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC 525220648 ABWDLNUVXOGIIC-QGZVFWFLSA-N 431.492 5.120 30 20 IKED C=CCn1c(SCc2sc(C)nc2C)nc2scc(-c3cccs3)c2c1=O 525623133 FLPODYJYKBBJDQ-UHFFFAOYSA-N 431.633 5.738 30 20 IKED C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 532872062 YQVYXFLVISGXDC-GFCCVEGCSA-N 431.348 5.052 30 20 IKED COc1ccc(NC(C)=O)c(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1 534138117 WSMMMDFJTDKEMW-UHFFFAOYSA-N 435.867 5.223 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1cccc2c1CN(c1nccs1)C2 534733050 BGDVFEZNUWZKAV-HNNXBMFYSA-N 435.578 5.702 30 20 IKED C=CCCOCCCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl 537194056 SBXOMGUQSWSDGS-IBGZPJMESA-N 427.372 5.076 30 20 IKED C[C@@H](CCO)N(Cc1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 537928333 MLLNQOBGXVROBX-NRFANRHFSA-N 443.547 5.137 30 20 IKED COc1ccc(CNCc2ccc(-c3ccccc3C#N)cc2)cc1OCc1cccnc1 539103465 FSVDDAXFTZPAJZ-UHFFFAOYSA-N 435.527 5.498 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)c1C#N 539697288 FKLGUHMDZCUOEU-UHFFFAOYSA-N 427.489 5.008 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(-n2ncc3ccccc32)cc1 541161143 XFYCYHOTVSDSSI-GOSISDBHSA-N 442.544 5.437 30 20 IKED CC(C)[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nc(C2CC2)no1 542035646 LYCKKBNMXSZDTK-KSFYIVLOSA-N 429.524 5.243 30 20 IKED Cc1cccc(O[C@H](C)c2nnc(N3CCC(CC#N)CC3)n2Cc2cccs2)c1C 549579542 NGDMZQACMGKKCS-LJQANCHMSA-N 435.597 5.275 30 20 IKED N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 561266866 ZLKYZWKMCLDOCA-MRXNPFEDSA-N 437.343 5.120 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@@H](c2ccccc2)c2ccccc21 566836153 QDRKITIOORZQLX-RXVVDRJESA-N 441.556 5.056 30 20 IKED C[C@@H](Sc1ccccc1)c1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 567317114 BJMQYSZSIOCVGO-LJQANCHMSA-N 443.576 5.161 30 20 IKED C[C@@H](CC(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c1cccc(C(F)(F)F)c1 568328470 WPTXNDYJXRSTJA-AWEZNQCLSA-N 428.376 5.662 30 20 IKED Cc1c(C(=O)NC2(Cc3ccc(F)cc3Cl)CCOCC2)sc2ccc(C#N)cc12 583044387 JDHXNGQJMCZEOT-UHFFFAOYSA-N 442.943 5.396 30 20 IKED N#Cc1ccc(CNC2(c3ccc(Br)cc3)CCOCC2)c(C(F)(F)F)c1 589505329 ZAFKAEBWGYGQEV-UHFFFAOYSA-N 439.275 5.135 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c12 592973957 LKUBSKHSMDBLCX-INIZCTEOSA-N 447.539 5.611 30 20 IKED Cc1nc(C)c(C#N)c(S[C@H](C)c2nc(O)c3c(-c4cccs4)csc3n2)n1 600819862 OCPAXDOQNNOJMZ-SNVBAGLBSA-N 425.564 5.257 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc(C)c1OCc1cccnc1 603627399 FUJXDBFESDGQFJ-IBGZPJMESA-N 431.492 5.516 30 20 IKED COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1 603692869 PMFSQRSKRIIZKM-JOCHJYFZSA-N 444.491 5.132 30 20 IKED Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c(C)n1CC(F)(F)F 604254015 MDTDPPLESUFAKQ-UHFFFAOYSA-N 440.425 5.044 30 20 IKED C=CCCCCCN(C)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 606883542 LRKWNXTXGBCURD-UHFFFAOYSA-N 438.952 5.098 30 20 IKED CSc1ccc(F)cc1CNC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 608637992 DHZYKIMZHPEHIR-PJXYFTJBSA-N 432.405 5.256 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(-c4cn5c(n4)CCCC5)cc3)o2)cc1 609060241 XCBOQSBWDIXQRA-UHFFFAOYSA-N 438.487 5.182 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 609377133 PKNCYDNRKDTTGP-DLBZAZTESA-N 436.606 5.403 30 20 IKED CCN(C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H](C)c1cc2ccccc2o1 609403240 GFHQLBOCOJWJPK-DLBZAZTESA-N 435.549 5.233 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccccc1S[C@H](C)CC#N)O[C@H](C)C2 609428363 CSAUAJCYZZXBDH-HBXLWWENSA-N 436.577 5.545 30 20 IKED CCOc1cc2c(cc1CNC(=O)Nc1ccccc1S[C@H](C)CC#N)O[C@H](C)C2 609437217 WGYIYBJVQHSYGB-HZPDHXFCSA-N 425.554 5.125 30 20 IKED Cc1ccc(C2(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CCOCC2)cc1 609504113 PLCZEWOKHFEXGI-XMMPIXPASA-N 444.962 5.991 30 20 IKED CC(C)C[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)N[C@@H](C)c1ccccc1 609549906 QBKQHFXKOVGFAS-GBXCKJPGSA-N 442.563 5.241 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@H](C#N)c2ccc(F)cc2)cc1 609601829 OZISTMWVKKGECB-DEOSSOPVSA-N 427.479 5.296 30 20 IKED CCCc1nc(C[S@@](=O)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)cs1 609742946 DHGJRLDUHQCJPZ-PMERELPUSA-N 440.590 5.004 30 20 IKED Cc1cc(C(=O)N[C@]2(C#N)CCSC2)ccc1N[C@@H](C)c1cc(Cl)ccc1Cl 610166296 NYPSOVVPFSQVOG-QKKBWIMNSA-N 434.392 5.604 30 20 IKED N#C[C@@H](C(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1nc2cc(Cl)ccc2s1 613406995 CHROJCGAHRNZRM-ZDUSSCGKSA-N 430.316 5.220 30 20 IKED C[C@H](NC(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1cccc(C#N)c1 616044356 BNPOVSLDQSNYQC-KSFYIVLOSA-N 449.352 5.060 30 20 IKED O=C(c1cnc2ccccc2c1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618301334 NKTUWAYHOLBGQN-UWVGGRQHSA-N 444.297 5.457 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 619020805 CPIIUUDYNZGNML-GOSISDBHSA-N 440.290 5.256 30 20 IKED C=CCOc1ccccc1CNc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1 676320043 DIPLOFPFBLZITH-SFHVURJKSA-N 438.959 5.530 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(O)c2)c1 726573104 ZRUIFZKNWPSZCK-UHFFFAOYSA-O 442.347 5.291 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc(-c2ccccc2OC(F)F)cs1 727715128 KMTYGPMMWIQDGQ-UHFFFAOYSA-N 440.431 5.228 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC([C@@H](O)c4ccccc4)CC3)c2)cc1 729571349 UXFPXLSVVKBZCX-VWLOTQADSA-N 427.504 5.328 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)cc1 730687570 PFDBBXMSWXQSTO-INIZCTEOSA-N 445.466 5.158 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@@H]1c1cccc2ccccc12)c1nc(-c2c(F)cccc2F)cs1 730923318 GNESTDFZICJJCN-CEXWTWQISA-N 430.479 6.221 30 20 IKED O=C1/C(=C\c2ccc(N3CCOCC3)c(F)c2)CCc2nc(-c3ccccc3F)sc21 731938127 OSWBQXWISTXXKA-SSZFMOIBSA-N 438.499 5.137 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC(CCc3ccc(C)cc3)CC2)ccc1OC 733653828 MLEUGKJZQGQQOL-XMMPIXPASA-N 449.595 5.239 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)NCc3cccc(O[C@@H](C#N)CC)c3)s2)cc1 733770281 FPYDCFVZJWLPCA-LJQANCHMSA-N 435.549 5.128 30 20 IKED C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 734084167 XLDHYZMQFZLJJF-XMSQKQJNSA-N 439.540 5.440 30 20 IKED CN1CCN(c2ccccc2NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 734992291 KWPNLQNEMRTWLU-UHFFFAOYSA-N 446.938 5.008 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=S)Nc2ccc(OC(F)F)c(Cl)c2)cc1 735624679 YNBKRPTUJAHEFW-UHFFFAOYSA-N 445.878 6.414 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nc(-c2ccccc2F)oc1C 737503818 VUAGWDJMUPEOKD-UHFFFAOYSA-N 428.423 5.409 30 20 IKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCS[C@H](c3ccccc3)C2)c1=S 738247213 XECUOZLYRXSINQ-FQEVSTJZSA-N 426.586 5.154 30 20 IKED Cc1ccc(-c2ncc(/C=C/C(=O)c3ccc(S(=O)(=O)CC(F)F)cc3)s2)cc1 741851880 FGHLLAYFHOZFJA-DHZHZOJOSA-N 433.501 5.053 30 20 IKED CC1(C)CCc2cc(/C=C\C(=O)c3ccc(S(=O)(=O)CC(F)(F)F)cc3)ccc2O1 741851944 GIIDCJSYZKSHSS-OQFOIZHKSA-N 438.467 5.022 30 20 IKED Sc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(Br)cc1Cl 743426186 LABVUOCFRFWPNB-UHFFFAOYSA-N 428.142 5.185 30 20 IKED N#C[C@@H](C(=O)CCc1nc2cc(Br)ccc2s1)c1nc2ccccc2s1 744016781 TZSYIORCMVGAAF-LBPRGKRZSA-N 442.363 5.478 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cccc(-c2csc(C)n2)c1 744028865 NKTZBYNFBGBNRE-MRXNPFEDSA-N 439.924 5.050 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 746204187 ITKUFQXCGYAGDA-RTBURBONSA-N 438.547 5.001 30 20 IKED O=C(/C=C\c1ccc(-c2ccc(Br)cc2)o1)c1ccc(N2CCOC2=O)cc1 748583598 HLEINFOQMMGTHL-LUAWRHEFSA-N 438.277 5.562 30 20 IKED CCN([C@H](c1ccc(C(C)C)cc1)c1cccnc1)S(=O)(=O)c1cccc(F)c1C#N 751493487 JMWITZGQPRYPSM-XMMPIXPASA-N 437.540 5.016 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)cc1C#N 752194474 NVZMGXRFKLAODX-ZWKOTPCHSA-N 446.532 5.425 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1C 754226879 VHUSMTPXKAYQIX-UHFFFAOYSA-N 439.512 5.020 30 20 IKED N#C[C@H](C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 754532053 POTOPOOOMUHHOO-OAHLLOKOSA-N 437.710 5.347 30 20 IKED CC(C)(C)OC(=O)NCC1(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)CCCC1 757308030 YQCPTWAJRGHAGF-AWEZNQCLSA-N 433.961 5.211 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H](O)c1cc2ccccc2s1 757586568 NUYRJWKIMSZOGU-LJQANCHMSA-N 430.554 5.388 30 20 IKED COCCOc1ccc(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 758075389 JGSYGDQTNRGHTF-QHCPKHFHSA-N 434.923 5.202 30 20 IKED CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1C#N 758122622 TZFHTRPQQXTHBG-UHFFFAOYSA-N 432.442 5.619 30 20 IKED N#CCOc1cccc(CC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)c1 760388164 XJKWIBSBWNTQNA-UHFFFAOYSA-N 445.372 5.115 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)c2ccccc21 767797318 BARQVZMCWHTFCR-UHFFFAOYSA-N 440.572 5.822 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)c1C(F)F 769144526 VEQZNLJPZPPNJU-QMMMGPOBSA-N 429.311 5.369 30 20 IKED Cn1ccnc1C(=O)[C@@H](C#N)C(=O)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1 770868165 FFSXFXBQWPZCMS-SFHVURJKSA-N 444.343 5.225 30 20 IKED C#CCOc1ccc([C@H](C)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)cc1 773027445 QSMUKJFZOFPTGT-IDISGSTGSA-N 447.600 5.159 30 20 IKED CC1(C)OCC(C)(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CO1 775226555 FWVPGKTZJKZASF-ZDUSSCGKSA-N 425.337 5.082 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1ccccc1Cl 776516175 KINAVOZPZJWSQG-OAHLLOKOSA-N 447.709 5.102 30 20 IKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 782485347 KJVDBXJPKKHMFY-WINIVTDRSA-N 435.527 5.367 30 20 IKED Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 782602738 DSMUQCPHPIUSPO-NSHDSACASA-N 432.502 5.037 30 20 IKED Cc1cc(Br)c2oc(C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cc2c1 783068515 YSZTXGGWMOWIMY-HNNXBMFYSA-N 435.277 5.499 30 20 IKED CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccsc1 790742797 PZHFEUVQVPLBPU-ZDUSSCGKSA-N 428.366 5.035 30 20 IKED COc1ccccc1-c1ncc(/C=C2\CCc3sc(Br)cc3C2=O)cn1 792884246 CQASRMBKBNOATK-MDWZMJQESA-N 427.323 5.189 30 20 IKED C#CCC1(c2nc(-c3ccccc3-c3ccc(CN4CCCC4=O)cc3)no2)CCCCC1 809282405 GWJUXCQZYSTUMO-UHFFFAOYSA-N 439.559 5.751 30 20 IKED N#C[C@H](C(=O)[C@H]1CCN(c2ccccc2F)C1)c1nc2cc(C(F)(F)F)ccc2s1 810537474 UPBLRBZGPKRFLP-GXTWGEPZSA-N 433.430 5.157 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1 811874479 LYHNSCDGDGCASC-UHFFFAOYSA-N 426.991 5.663 30 20 IKED CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1ccccc1C(=O)N1CCC(C#N)CC1 813429378 FNAWKPHLOZWRNL-SYYKKAFVSA-N 442.625 5.158 30 20 IKED CC(C)(C)OC(=O)N[C@H](C=NNc1nc(Cl)c(Cl)cc1Cl)CC(F)(F)F 814741409 ZVMGULRZXOXARJ-ZETCQYMHSA-N 435.661 5.285 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2cccs2)C1=O)Nc1ccc(F)cc1 837516662 HWSYVSSPLAMKEH-IBGZPJMESA-N 439.537 5.048 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 915352013 IDWLDPRNOABBDO-MHZLTWQESA-N 438.575 5.650 30 20 IKED CCN(CC)[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccsc1 915353493 NZJKHGXFHNCESW-BJKOFHAPSA-N 432.593 5.608 30 20 IKED N#CCOc1cccc(NC(=O)c2ccccc2OCc2ccc(Br)cc2)c1 916410142 RONFBXQPGBBUMT-UHFFFAOYSA-N 437.293 5.183 30 20 IKED N#C[C@H](C(=O)C1CCN(C(=O)OCc2ccccc2)CC1)c1nc(-c2ccccc2)cs1 917026563 HUQPNLPJNGVAHN-OAQYLSRUSA-N 445.544 5.035 30 20 IKED N#C[C@H](C(=O)CN(Cc1ccc(C(F)(F)F)cc1)C1CC1)c1nc2ccccc2s1 917096957 MFKNZMQIUFKFAA-QGZVFWFLSA-N 429.467 5.156 30 20 IKED N#CCOc1cccc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)c1 917619857 NUBCCYMPVAFNGR-HMAPJEAMSA-N 448.400 5.335 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5cc[nH]c5c4)cc3)CCC2)cc1 1788913953 VPDJSDTVYDNUJZ-UHFFFAOYSA-N 434.499 5.101 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccc(OC)cc3)CCC2)cc1 1791587416 SZMSQFSYCKZIQW-UHFFFAOYSA-N 441.531 5.081 30 20 IKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3scc(-c4ccccc4)c3[nH]1)C2 1801637229 VLZODYDNBRETBY-FFGOWVMKSA-N 447.604 5.360 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3ccccc3o2)[C@H]1c1cccnc1 1809249292 YDAAKKRTGJATSJ-ZJSXRUAMSA-N 445.563 5.140 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)C[C@H](C)c2ccccc2)[C@@H]1c1cccnc1 1810183839 YHWLAAATCPINCE-SHXYWKPHSA-N 445.607 5.050 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccccc2Cl)[nH]n1 1819305544 VUSWISKKUWFFLH-NQIIRXRSSA-N 440.975 5.066 30 20 IKED Cc1ccc(-c2ccccc2C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](C)S)n[nH]2)cc1 1822384358 RRROKUYSCLXUKU-JTSKRJEESA-N 448.592 5.009 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccccc3n2C)CC1 1827991813 FERYIPVAPIMDBH-XMMPIXPASA-N 449.639 5.404 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 1831482748 WJHUNLVDEZLACD-HSQNVRHTSA-N 426.645 5.201 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)Cc2ccco2)CC1 1832275126 HSAIPAZJDULVPZ-NFBKMPQASA-N 428.617 5.070 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)c1ccc(-c3ccccc3)c(F)c1)C2 1841319558 DSCVEHPQMLAYDJ-UHFFFAOYSA-N 432.539 5.078 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc3c(c2)CCCC3)cc1 10173307 PPAUWZFWVDWXIB-UHFFFAOYSA-O 441.620 5.701 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc3ccccc3c2)nnc1-c1ccc(F)cc1 10498244 ZBOKUTUYVDPYJD-KRWDZBQOSA-N 446.551 5.393 30 20 IKED Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1ccccc1Sc1ccccc1C#N 15806224 PIUPNMCIDFKWFX-SFHVURJKSA-N 430.529 5.510 30 20 IKED C=CCn1c(=O)c2ccccc2n2c(SCc3ccc(-c4ccccc4C#N)cc3)nnc12 22409491 XBRYLPUSUMULPX-UHFFFAOYSA-N 449.539 5.061 30 20 IKED N#C[C@@H](C(=O)CSc1nccn1Cc1ccccc1)c1nc(-c2ccccc2)cs1 26043155 ZHMDFDSOMKXEBM-IBGZPJMESA-N 430.558 5.023 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(F)cc2)=C(/S)Nc2ccc(SC(F)F)cc2)c1 28781488 RFHVBSYLIVUJDL-UHFFFAOYSA-O 447.527 5.787 30 20 IKED C=CCn1c(SCC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)nnc1C1CC1 36201906 OZAVTHLRLNBWAB-UHFFFAOYSA-N 439.610 5.121 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 58416726 RZPGAEVHIJLUGM-UHFFFAOYSA-N 442.544 5.515 30 20 IKED CCOc1ccc(Oc2ccc(NCC(=O)Nc3ccccc3SCC#N)cc2)cc1 60465595 BYWPOSSBLULCKI-UHFFFAOYSA-N 433.533 5.544 30 20 IKED Cc1ccc(-c2ccc(CN(C(=O)CCc3c(C)nn(CCC#N)c3C)C(C)C)s2)cc1 63338893 DWTLNDYEWQHDLF-UHFFFAOYSA-N 448.636 5.820 30 20 IKED N#Cc1ccc(CN2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c(F)c1 69877894 NELWIZZHDWDQFN-VWLOTQADSA-N 434.559 5.386 30 20 IKED COc1cc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccnc2)ccc1SC 72050204 PGPHLGXQRHOYFJ-ZRDIBKRKSA-N 427.529 5.561 30 20 IKED C=CCn1c(SCc2csc(COc3ccc(C)cc3)n2)nnc1-c1ccoc1C 247994025 ACCDHNGLIZTSCL-UHFFFAOYSA-N 438.578 5.669 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)CSc1ccc(C#N)cc1 303355395 ZJLNHMPJHSVHRZ-ZDUSSCGKSA-N 427.982 5.613 30 20 IKED N#CCCn1ncc(C(=O)Nc2cccc(COc3cccc(F)c3)c2)c1-c1ccccc1 428208509 PCJZSLXBYZBEDE-UHFFFAOYSA-N 440.478 5.434 30 20 IKED COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CCC[C@@H]3c3csc(C)n3)c2)c1 429176248 NCWUHYDIMNBCCS-HSZRJFAPSA-N 445.544 5.007 30 20 IKED CCC(CC)n1nccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 431127817 KUVYGAJUTQNPQW-HNNXBMFYSA-N 433.364 6.165 30 20 IKED N#CCCC[C@@H](NC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)c1ccccc1 431309399 YKCJPDLEHLGJDB-DBXWQHBBSA-N 444.348 5.569 30 20 IKED Cc1c(C#N)cccc1NC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 432836403 UGUBDUBCNHNNLS-UHFFFAOYSA-N 426.516 5.133 30 20 IKED N#CCCn1cc(CNc2cccc(OCc3cccc(F)c3)c2)c(-c2ccncc2)n1 433316077 GXIFZJIEWMDJNR-UHFFFAOYSA-N 427.483 5.189 30 20 IKED C[C@@H](CC#N)Sc1ccccc1N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 433727092 FLAVBKNQCQVCRZ-KSSFIOAISA-N 435.471 5.197 30 20 IKED C=CCC[C@H](NC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1)c1ccccc1 435265517 GGJRCTUZZIBRAT-NRFANRHFSA-N 434.609 5.348 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N2CC[C@H](C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 437410914 UQTLOGRGSHFXPQ-MGPUTAFESA-N 431.458 5.236 30 20 IKED CC(C)CNC(=O)c1ccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1Cl 437906128 QPGSRMPORMLZRL-IRLDBZIGSA-N 438.959 5.029 30 20 IKED C[C@@H](NCc1ccncc1OCC(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 442132130 TWFUOLIHJDWBLM-SNVBAGLBSA-N 428.323 5.614 30 20 IKED Cc1nc(-c2cccc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2)cs1 442811377 OTBDKKATMVWBCW-HNNXBMFYSA-N 437.496 6.010 30 20 IKED C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(Br)s1 443324577 DJFBCESGQBSLPD-LLVKDONJSA-N 438.416 5.002 30 20 IKED O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444047766 GVIOILJTUUETHJ-CQSZACIVSA-N 439.287 5.568 30 20 IKED N#CCCCn1cc(C(=O)Nc2cccc(CSC3CCOCC3)c2)c2ccccc21 444220890 CBNCXASBSYLTJY-UHFFFAOYSA-N 433.577 5.610 30 20 IKED Cc1cccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)c1 445623356 JCUGFQOCUJNVCG-LJQANCHMSA-N 447.560 5.007 30 20 IKED C=CCN1C(=O)N(c2ccc(Oc3ccc(Cl)cn3)cc2)C(=O)[C@H]1Cc1ccccc1 445996996 ZPTLQKYELQIBNL-OAQYLSRUSA-N 433.895 5.093 30 20 IKED CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1ccccc1Cl 460717373 JJPQTYMIEDREOV-JOCHJYFZSA-N 435.959 5.238 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CC[C@@H](COCc3ccccc3)C2)cc1 461383502 ORDUWTJGNGHABP-XMMPIXPASA-N 442.584 5.529 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N2CCC(c3cccc(Cl)c3Cl)CC2)cc1 463521542 YJJQZVCHXJAZNZ-UHFFFAOYSA-N 432.351 5.321 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H](CC(=O)OC(C)C)C1 463967209 VUNMOLNMXKCDDY-FQEVSTJZSA-N 435.524 5.245 30 20 IKED Cc1nc2sccn2c1CN(C)C(=O)c1ccccc1SCc1ccc(C#N)cc1 464807467 UTDFIVXBIUEAKF-UHFFFAOYSA-N 432.574 5.140 30 20 IKED CCCn1ccc2ccc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)cc21 465153042 FXVVFALLUBOWMV-UHFFFAOYSA-N 425.536 5.698 30 20 IKED CCC(CC)c1cc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)on1 466120184 ZZVNZZJXRVUYFL-UHFFFAOYSA-N 432.524 5.545 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cc(F)cc(F)c2Br)c1 468274568 NJGWLVOGQCOLNK-UHFFFAOYSA-N 433.208 5.023 30 20 IKED CCN(C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H]1CCN([C@H](C)c2ccccc2)C1 473816168 HDIRYBSBVBCSAR-SJBKTWHCSA-N 436.625 5.628 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1c(C)noc1C)Cc1c(C)noc1C 475588000 XEWCBGNRTPNHIS-UHFFFAOYSA-N 436.556 5.982 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(-c3nccn3CCCC)c2)cc1 477971096 BOUICAWMCFWTRA-UHFFFAOYSA-N 432.528 5.302 30 20 IKED C[C@@H]1C[C@H]1c1ccc(CN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C2CC2)o1 479159374 HDUINKKSHKUYFK-SMQLRLNASA-N 433.552 5.339 30 20 IKED Cc1ccc2c(c1C)OC[C@H]2NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 480772065 BXIZVKDUTRYCFJ-XMMPIXPASA-N 429.495 5.160 30 20 IKED C=C(C)C[C@H](C)C(=O)Nc1cc2c(cc1Br)CN(C(=O)[C@H](C)CC(=C)C)C2 480827953 NYUYWDDFHKIEAA-JKSUJKDBSA-N 433.390 5.434 30 20 IKED COc1ccc(Cl)c(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 487385867 FJEWIQPGUYIJSP-GOSISDBHSA-N 447.343 5.458 30 20 IKED CC(C)(C#N)c1ccccc1CN1CCC(C(=O)Nc2ccc(Br)cc2)CC1 487399333 LLYMTIQKEIPORU-UHFFFAOYSA-N 440.385 5.101 30 20 IKED N#Cc1ccc(NC(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)cc1Br 487851970 FZAUQYKMXSHRAZ-QGZVFWFLSA-N 425.286 5.221 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCOc2ccc(F)cc2C1 488278975 OCCAOAFIRQGHRK-UHFFFAOYSA-N 431.467 5.011 30 20 IKED CN(C)CCCOc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 491492441 WLYUXCZRESGDRN-UHFFFAOYSA-N 444.535 5.003 30 20 IKED CC[C@H](C)NC(=O)c1cccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 491643420 BBVULIZBBNYUSM-SFHVURJKSA-N 442.519 5.201 30 20 IKED COc1ccccc1Oc1ccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 492710596 ZKTVHPGLQJLZNN-OAHLLOKOSA-N 433.533 5.348 30 20 IKED Cc1c(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)sc2ccc(C#N)cc12 493723595 LZLKIQNEZQOFGJ-UHFFFAOYSA-N 425.513 5.264 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(CCCO)Cc2ccccc2)cc1Cl 494198935 RCGBPVZOUSUUSJ-HSZRJFAPSA-N 433.939 5.412 30 20 IKED N#Cc1ccc(CSCC(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1 498235934 DITNHRCMGHWLJE-JOCHJYFZSA-N 434.540 5.074 30 20 IKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cc3csc(-c4cccnc4)n3)c2C#N)C1 500356391 IDSXVJFEKKUGGE-OAHLLOKOSA-N 436.606 5.470 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1C 502326984 MAUJKDZBMOMSQX-UHFFFAOYSA-N 428.511 5.149 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 502679073 KLJANHFNTVOAQQ-UHFFFAOYSA-N 447.461 5.257 30 20 IKED C=CCCc1ccccc1NC(=O)N(Cc1cccc(Br)c1)C1CCOCC1 505036036 RHTFKLOBXJNRDP-UHFFFAOYSA-N 443.385 5.781 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCOc2c(Br)cccc21 505296935 CLBJTBDFUQQCEU-BBRMVZONSA-N 446.370 5.346 30 20 IKED COc1cc(OC)c(NC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1Cl 505467630 OAPSELWGONDXQQ-AWEZNQCLSA-N 427.913 5.035 30 20 IKED Cc1csc(-c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)n1 506043226 DNWBYWWEECRDMO-UHFFFAOYSA-N 427.554 6.394 30 20 IKED CC(C)Cn1cc(NC(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)c(C(F)F)n1 507180227 ODXAFZQLFBVCQD-CQSZACIVSA-N 426.336 5.180 30 20 IKED C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC(OCC(C)C)CC1 508700674 SZQCTSOLOWBRGF-UHFFFAOYSA-N 446.595 5.352 30 20 IKED Cc1sc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccc(Cl)cc2)c(C#N)c1C 508926002 URGQUFVZCGWPBM-UXPWSPDFSA-N 441.984 5.302 30 20 IKED C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](c2nccs2)C1 508928648 AVKZVEQQYGYZHR-CVEARBPZSA-N 429.977 5.098 30 20 IKED CN(Cc1ccccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)C1CCCCC1 510022269 ZMEYGXILZRGSDR-UHFFFAOYSA-N 446.595 5.398 30 20 IKED COCCN(Cc1cccs1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511338612 GXFFQUHAVNYGKE-UHFFFAOYSA-N 435.549 5.074 30 20 IKED O=C(Nc1nc2c(Cl)cccc2n1CC(F)(F)F)c1c(F)c(F)cc(F)c1F 511537062 BFWVEIVOEMJIAM-UHFFFAOYSA-N 425.691 5.061 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1sc2c(c1C#N)CCC2 512962447 QZMDFPIIZIILKS-GFCCVEGCSA-N 443.981 5.677 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(COc2ccccc2C#N)c1 513265999 FVVBCNCUIHYCSP-SFHVURJKSA-N 427.529 5.784 30 20 IKED Cn1c([C@H](C#N)C(=O)c2ccccc2SCc2cn3ccccc3n2)nc2ccccc21 513666344 LISUNTDBVFCVPA-LJQANCHMSA-N 437.528 5.003 30 20 IKED N#C[C@H](C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1nc(-c2ccncc2)cs1 516331061 AKMBRSWAWUVFNR-HXUWFJFHSA-N 442.475 5.087 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1 516889809 RKGSOMDRYANKNP-SFHVURJKSA-N 442.606 5.054 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)[C@H](C)c1ccccc1Cl 518568987 PYQBSFVNJHHVOB-QGZVFWFLSA-N 447.922 5.471 30 20 IKED CCn1cnnc1-c1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 518800611 PFMALRHBAVVQIV-UHFFFAOYSA-N 439.544 5.381 30 20 IKED CCOc1cccc([C@@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 519873209 WZQUDGNUMQLFEU-LJQANCHMSA-N 429.520 5.613 30 20 IKED COc1cc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)ccc1OCC(C)C 520160651 FPYKRFCUGWTILB-HXUWFJFHSA-N 437.584 5.530 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@@H](c3ccc(Cl)cc3)c3ccsc3)cc2)nc1 521091940 DAQVXTLFAYAVBK-QHCPKHFHSA-N 445.931 5.980 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3oc4ccccc4c3CSc3ncccn3)[nH]c12 521311350 BLEDMVJTIRQAHQ-MRXNPFEDSA-N 439.500 5.190 30 20 IKED Cc1[nH]c2ccc(CNC(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cc2c1C 521312677 HEWKVOLNHWIHPN-UHFFFAOYSA-N 448.577 5.122 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCOc1cccc(Br)c1 521327044 NVOBEHFVYHSNMK-HNNXBMFYSA-N 433.371 5.641 30 20 IKED Cc1ccc(Cn2nc(C)c(CCC(=O)Nc3cccc(OCCCC#N)c3)c2C)cc1 521613598 MECMVQBIUGZUJU-UHFFFAOYSA-N 430.552 5.111 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC(OCc4ccccc4)CC3)cc2)cc1 521950676 CRNFVDXWBSCNGJ-UHFFFAOYSA-N 426.516 5.366 30 20 IKED N#CCc1cccc(C(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)c1 521957328 BXNBKBYHAMPXHE-UHFFFAOYSA-N 428.467 5.129 30 20 IKED Cn1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(C2CCCCC2)n1 524204473 MWWPQXWBIUYOGB-UHFFFAOYSA-N 428.536 5.365 30 20 IKED CCc1c(C)sc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C#N 524330689 ZWJJSDVSUAVGMY-UHFFFAOYSA-N 429.445 5.148 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(OCC3CCCCC3)CC2)cc1 525219996 MJWMZROZYIVDAE-UHFFFAOYSA-N 439.600 5.094 30 20 IKED CC(C)(C)CC(=O)Nc1ccc(CC(=O)N(Cc2ccco2)c2ccccc2C#N)cc1 525558052 QQIFTDUFSNAJJE-UHFFFAOYSA-N 429.520 5.302 30 20 IKED Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)s1 534167665 YMFSWVPTZVOBLI-CQSZACIVSA-N 425.941 5.911 30 20 IKED CNC(=O)c1cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)ccc1Cl 534170938 AJOVRLVDXLWLBV-UHFFFAOYSA-N 440.286 5.269 30 20 IKED C[C@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)c1cccc(C(=O)c2ccccc2)c1 536552301 YAPVHQPYAIWPHJ-AOMKIAJQSA-N 447.332 5.165 30 20 IKED COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 536810188 HMZIJLKZMQPHMQ-BVZFJXPGSA-N 446.572 5.365 30 20 IKED N#CCCN(Cc1cccnc1)C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 538954317 KOLPYIAMUWTWKU-UHFFFAOYSA-N 431.439 5.265 30 20 IKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc(C3(C#N)CC3)cc1)CC2 540692936 WVROMNWIWSJZHD-XMMPIXPASA-N 444.556 5.108 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 543494839 QZYNAVNIDIPHES-IFMALSPDSA-N 432.520 5.499 30 20 IKED Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 549234337 RTQFUPXIBRHWCR-VCSGRIEYSA-N 427.508 5.027 30 20 IKED O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 549237913 AXYUUDHUSUGJNG-TZMCWYRMSA-N 430.339 5.332 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC2(CCOCC2)C1 549320506 AZNNYJMOVPKDIJ-FQEVSTJZSA-N 432.568 5.154 30 20 IKED CC(C)CN(C(=O)C(=O)Nc1cccc(OCCCC#N)c1)[C@@H](C)c1ccccc1Cl 551450659 JDTFLYJQOYGIKU-SFHVURJKSA-N 441.959 5.207 30 20 IKED N#Cc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)c(Cl)c2)nc1 565281744 FSGIXXYNGLQCOC-UHFFFAOYSA-N 439.331 5.195 30 20 IKED CN(CCOCc1ccc(C#N)cc1)C(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl 565664821 OGOOAMKYYCAHKG-UHFFFAOYSA-N 428.319 5.149 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H](C)Cc1ccccc1C(F)(F)F 569582463 UTKKIBOVIIVFAA-HZPDHXFCSA-N 435.515 6.195 30 20 IKED C=CC1CCN(c2nnc([C@@H](C)Oc3ccc4ccccc4c3)n2C[C@H]2CCOC2)CC1 570945585 XPMKAXVZTCGQGU-TZIWHRDSSA-N 432.568 5.010 30 20 IKED N#Cc1ccccc1Oc1ccc(-c2nc(Cc3c[nH]c4ncccc34)no2)cc1Cl 571292816 WVEFQVJQJHNRRI-UHFFFAOYSA-N 427.851 5.521 30 20 IKED O=C(Nc1cc(F)ccc1N1CCCCC1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 588950362 NKJAKVHTQBMTPB-CHWSQXEVSA-N 441.391 5.411 30 20 IKED Cc1cccc(-n2ncc(C(=O)Nc3cc(C(F)(F)F)ccc3F)c2C(F)(F)F)c1 590233644 FXNROVBNKYNDGT-UHFFFAOYSA-N 431.311 5.610 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590336780 QGWPQGZIFRPFCQ-HTQZYQBOSA-N 426.254 5.439 30 20 IKED CCc1[nH]c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C)c1C(=O)OC 603759107 UKIFZBYZVFYFMK-GOSISDBHSA-N 435.911 5.233 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)Cc3nc(-c4ccc(F)cc4)cs3)c2)c1 604441150 ISIGNYNAGYMLIF-UHFFFAOYSA-N 443.503 5.581 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)[C@H](C#N)c2nc3ccccc3s2)c1 604929509 AJQWDUDYMSNZHR-SFHVURJKSA-N 429.888 6.104 30 20 IKED Cc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)c(F)c1 606158055 QKMCUZPRKATYLU-UHFFFAOYSA-N 425.300 5.269 30 20 IKED CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)n1 609020320 JFWIENNNCVOKJV-UHFFFAOYSA-N 439.475 5.345 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1cc(C#N)ccc1OC(F)F 609066517 DKARVOBFERCOHY-UHFFFAOYSA-N 445.422 5.173 30 20 IKED COc1cccc2c1OCC[C@H]2NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609080237 UJLUNZBYXQQGLI-HSZRJFAPSA-N 443.503 5.100 30 20 IKED N#CCn1c(C(=O)N(CCc2ccccc2)c2nc3ccccc3s2)cc2ccccc21 609215814 YQEUPPNBOGMVOA-UHFFFAOYSA-N 436.540 5.664 30 20 IKED CCCN(C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1cc(Cl)ccc1C#N 609286192 MRUSLDUFBVTBBV-UHFFFAOYSA-N 440.881 5.221 30 20 IKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c12 609376782 JTBPDXSBYWCZHX-AWEZNQCLSA-N 446.507 5.841 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NC(Cc3ccccc3)Cc3ccccc3)cc2)nc1 609499599 UBFQFEXQLFKLRR-UHFFFAOYSA-N 433.511 5.329 30 20 IKED COc1cc(CSCC(=O)N[C@@H](C)c2ccccc2)ccc1OCc1cccc(C#N)c1 609741257 ZYEQTRIXNYQYEV-IBGZPJMESA-N 446.572 5.256 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N[C@@H](c3ccc(Cl)cc3)C(F)(F)F)o2)cc1 610155711 MBAFBBGWWCBZDT-IBGZPJMESA-N 434.801 5.417 30 20 IKED CC(=O)N1CCCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c2ccccc21 610235164 LELOLVXWEBQKCY-UHFFFAOYSA-N 445.906 5.407 30 20 IKED Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 610321289 OWUDYCCCPGCJQF-SQJMNOBHSA-N 442.519 5.343 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@H]2c2ccccc2Br)c1 610674478 TUWCOOZGSHKQEH-INIZCTEOSA-N 436.256 5.291 30 20 IKED CCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cnn1C(C)(C)C 613344539 JEHGROZBRBDKJC-AWEZNQCLSA-N 447.391 6.121 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccccc2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346644 MSLJGTMPROADIR-KRWDZBQOSA-N 439.327 5.793 30 20 IKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Nc2ccc(Cl)cc2-c2ccccc2)CC1 615504649 SCJPIWKUQOIBLN-UHFFFAOYSA-N 447.926 5.098 30 20 IKED Cc1nn(-c2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cc2)c(C)c1Cl 642282625 MISKPCUDDRKJFG-MRXNPFEDSA-N 439.853 5.377 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1 727589166 LPPSCWUBCZTYTF-QPPBQGQZSA-N 433.458 5.226 30 20 IKED Cc1sc2nc([C@@H](C)OC(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)nc(O)c2c1C 728373530 SVVGNYOLEUTXNC-OAHLLOKOSA-N 446.532 5.211 30 20 IKED COc1ccc(C[C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC 730130228 IMUYYVKWPHAGHI-FDDCHVKYSA-N 429.520 5.112 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1 730395516 GGKGGLMMJCQBGL-AWEZNQCLSA-N 446.862 5.631 30 20 IKED C[C@@H](Oc1ccccc1Br)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 732901456 SCNZBJSIWGAHEN-ZYHUDNBSSA-N 435.730 5.356 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)/C=C(\C)c2ccc(C(F)(F)F)cc2)ccc1OC 733231143 ZFNIPZCJLHSWDZ-FERCGXDMSA-N 432.442 5.115 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCOc3cc(C)c(C)cc3C2=O)cs1 733748598 DNGIFVUDOFUBRJ-UYRXBGFRSA-N 432.545 5.802 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 733844278 VQXPXYPHOYDQCP-OAQYLSRUSA-N 426.476 5.353 30 20 IKED COCCN(Cc1cc(Cl)ccc1OCC#N)[C@@H](C)c1cccc(C(F)(F)F)c1 735310203 TUGOWOVMOVRGHK-HNNXBMFYSA-N 426.866 5.471 30 20 IKED COC(=O)C[C@H]1CN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c2ccccc21 741579442 SXPBDONISISZQE-KRWDZBQOSA-N 446.890 5.311 30 20 IKED N#CCOc1cccc(NC(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)c1 743103163 PMYGUCQTJURSNR-UHFFFAOYSA-N 442.397 5.117 30 20 IKED C#CCCN1CCC(NC(=O)c2cccc(CSc3c(Cl)cccc3Cl)c2)CC1 743494494 NYEXZCKFRRRECS-UHFFFAOYSA-N 447.431 5.503 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F 744027712 BODOZDSRICBTHW-SXLOBPIMSA-N 432.426 5.208 30 20 IKED C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)OCc1nnc(-c2cccc(C#N)c2)o1 744823887 RTZSVFQPPXASBO-NSHDSACASA-N 434.304 5.139 30 20 IKED C[C@@H](Oc1cccc(C(=O)/C=C/c2csc(COc3ccc(Cl)cc3)n2)c1)C(=O)O 745021478 PLVUEERKQABZCC-DNGMOHDESA-N 443.908 5.124 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2cccn2C2CCN(C(=O)OC(C)(C)C)CC2)n1 747197943 PBVBEEJISPBEAB-KRWDZBQOSA-N 442.585 5.130 30 20 IKED O=C(C[C@@H]1SC(=Nc2cccc(F)c2)NC1=O)Nc1cc(Cl)c(Cl)cc1Cl 748285494 WREFGHKXZPFYDO-AWEZNQCLSA-N 446.718 5.034 30 20 IKED CCCCCSc1nc2ccc(NC(=O)c3cc(C#N)c(SC)nc3O)cc2s1 748325215 GOBCUPLMTOUXBT-UHFFFAOYSA-N 444.607 5.525 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])cc2Cl)c1 749972169 IBEGYCIKACECGX-UHFFFAOYSA-N 442.258 5.605 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3C[C@H](O)c3cccs3)cc2)c1 751006074 WWWFAFBPNAMEBD-UGKGYDQZSA-N 433.533 5.532 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 755511880 XPGQCLOPMVSRBH-QHCPKHFHSA-N 441.531 5.870 30 20 IKED CC[C@@H]1CN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC[C@H]1NC(=O)OC(C)(C)C 757880596 HDSKRPNATNKQLS-KZNAEPCWSA-N 446.617 5.238 30 20 IKED Cc1sc([C@@H](C)NC(=O)Cc2cccc(OCC#N)c2)nc1-c1ccc(Cl)cc1 760394658 GAONPLMCLMEWQF-CQSZACIVSA-N 425.941 5.094 30 20 IKED CCc1cc[n+](/C(C(=S)Nc2cccc(C(C)C)c2)=C(/O)c2ccc(C#N)cc2)cc1 762440616 NYQHKKYJZIPIGD-UHFFFAOYSA-O 428.581 5.855 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)O[C@@H]2CCO[C@H](C3CCOCC3)C2)c1 763118839 HKLBSHCPBLAVDS-GGAORHGYSA-N 441.911 5.135 30 20 IKED C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 765935993 PDFOVNROYZDGPD-AVRWGWEMSA-N 447.510 5.104 30 20 IKED COc1ccc(/C=C/C(=O)c2sccc2Br)c(OCc2cccnc2)c1 766488614 AGAJDXNLAJQSHL-FNORWQNLSA-N 430.323 5.389 30 20 IKED C[C@@H]1CCC[C@@H](OCCCCCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)C1 766624199 FHSIAZJIJXEHBE-QIJUGHKUSA-N 435.593 6.014 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)c1 768940823 JDFSNUKUZJIHFS-HXUWFJFHSA-N 425.479 5.035 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc2cc(Br)cc(C)c2o1 769257433 DTLDIDRCSNLSIW-UHFFFAOYSA-N 434.293 5.253 30 20 IKED CC(C)c1c(C(=O)OC[C@H](C#N)Cc2cccs2)cnn1-c1ccc(C(F)(F)F)cn1 772737375 SFJKSTBMLFHABL-AWEZNQCLSA-N 448.470 5.010 30 20 IKED O=C(O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccc(-c2cncnc2)cc1F 774129349 FDAJQKICCMYLTM-KRWDZBQOSA-N 444.306 5.762 30 20 IKED CC[C@@H](N[C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1OC(F)F 775049525 KYHWMPJZSDNGCD-WCBMZHEXSA-N 438.343 5.051 30 20 IKED COc1ccc(NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1NC(=O)C1CCCCC1 778105468 MXWFHJCXIREXOQ-UHFFFAOYSA-N 443.551 5.098 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)Cc3cn(-c4ccccc4)nc3-c3ccc(F)cc3)[nH]c12 780382501 YYUCIWMLJBXFJE-JOCHJYFZSA-N 449.489 5.282 30 20 IKED CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)co1 780589556 LYRAWUXRVKZQHM-UHFFFAOYSA-N 447.491 5.007 30 20 IKED COC(=O)Nc1ccc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F 783146322 HOAWRTDEKDZEQH-RKDXNWHRSA-N 445.335 5.035 30 20 IKED Cc1cc(Br)cc(NC(=O)c2cc(C#N)cs2)c1NC(=O)OC(C)(C)C 784690296 JCUWDFJOOIWWAP-UHFFFAOYSA-N 436.331 5.290 30 20 IKED N#C[C@@H](C(=O)NCc1ccc(F)c(F)c1)C(=O)c1cc2sc3ccccc3c2s1 786564934 ORNJNKXYBQTDNX-CYBMUJFWSA-N 426.469 5.033 30 20 IKED C#CCC1(C(=O)N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)CCCCC1 788449092 XCCUWJJCHYHWAH-RUZDIDTESA-N 449.639 5.676 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2cccc(CC(C)C)c2)cs1)c1ccc(F)cc1F 794720299 SLHVPZHIZWVMBQ-NTMALXAHSA-N 440.515 6.201 30 20 IKED N#CC[C@H](CC(=O)OCc1ncc(-c2cccc(Br)c2)o1)c1ccccc1 795987451 CQZQXHZVSACFNE-MRXNPFEDSA-N 425.282 5.235 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2cccc3cccnc23)cc1 796798359 LDZOUWGZYMZXQS-HXUWFJFHSA-N 425.875 5.516 30 20 IKED C=C(C)[C@@H](CC(=O)N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21)OCC 811953330 NFKYHMQZFWSXIJ-AZUAARDMSA-N 432.561 5.123 30 20 IKED CCC(CC)(Cc1nc2ccccc2s1)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813217118 BSMOSPDMTFXVKD-OAHLLOKOSA-N 431.483 5.935 30 20 IKED CC(C)(C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)c1csc(-c2ccccc2F)n1 816093088 ANEIUQLFWGHDAW-CQSZACIVSA-N 433.430 5.517 30 20 IKED CC(C)(C)OC(=O)N1CCc2ccc(NCc3cc(C#N)ccc3Br)cc2C1 864011843 GUFIOGKEDWRUET-UHFFFAOYSA-N 442.357 5.226 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN(Cc2ccc(F)cc2)C2CCCCC2)c1=S 914567127 CQNPXNCTQYHNCZ-UHFFFAOYSA-N 437.588 5.594 30 20 IKED N#CC(CCOC(=O)Cc1csc(-c2ccccn2)n1)(c1ccccc1)c1ccccc1 914891644 JHFURCIFCRFLGF-UHFFFAOYSA-N 439.540 5.191 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2csc(COc3ccc(F)cc3)n2)cc1 915085000 CTLCFBBENJJCGL-JOCHJYFZSA-N 443.503 5.769 30 20 IKED CCN(Cc1ccc(OC)c(OC)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915352392 HHCRVSJIBOJDIE-QHCPKHFHSA-N 429.520 5.413 30 20 IKED Fc1cccc(N2CCCC2)c1C=Nn1c(S)nnc1-c1ccc(Cl)cc1Cl 916276886 MRSHHQCJSUSBGW-UHFFFAOYSA-N 436.343 5.162 30 20 IKED CCCCc1oc2ccccc2c1/C=C/C(=O)[C@H](C#N)C(=O)Nc1ccccc1OCC 916926309 XOCDKKDEQNQRIF-APHAIJBRSA-N 430.504 5.535 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc(F)c(Cl)c1 916936250 FPZFXXTYDYIGNG-OAHLLOKOSA-N 448.306 5.146 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)s2)o1 916946529 XUEDXJMGHNZEAV-CQSZACIVSA-N 434.304 5.288 30 20 IKED N#CCc1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)cc1 919811033 GRDMGPZBZGKKFK-UHFFFAOYSA-N 443.304 5.378 30 20 IKED C#CCN(CC)C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 919877277 QVYLZGPQXJJMEC-UHFFFAOYSA-N 425.604 5.051 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 920105532 HOFQKBBVLLECGT-UPVQGACJSA-N 448.478 5.136 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4cccc(F)c4)n3)n2)cc1 920138281 CFZGULUYTXBDJS-LJQANCHMSA-N 449.532 5.500 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4cc(C)ccn34)CCC2)cc1 1786104375 PNTWMVFIEZYWNS-UHFFFAOYSA-N 442.563 5.159 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C[C@@H]4CCCCO4)cc3)CCC2)c1 1786648760 AZLMMDLLZPDIML-CYFREDJKSA-N 445.563 5.021 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(C)ccc4[nH]3)cc2)CCC1 1788965345 PELFQUUQPUKKES-UHFFFAOYSA-N 433.577 5.143 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(C)cc2)[C@@H]1c1cccnc1 1802501394 MZGFMVMGCGITKH-AZGAKELHSA-N 447.623 5.021 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(C)cccc2C)[C@H]1c1cccnc1 1811388369 LJKVXOOWJPWKQW-LADGPHEKSA-N 433.596 5.010 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccccc2C)[nH]n1 1819310252 VWTIRFLUEMHJQE-JTHBVZDNSA-N 434.584 5.111 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccsc2)CC1 1827103200 MQUNAIJHWJUCTB-PKTZIBPZSA-N 428.642 5.069 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(C)c(C)c2)cc1 11164077 AFLUGKUKAHZWOX-UHFFFAOYSA-O 437.654 6.273 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cccc(OC)c2)cc1 11261621 JPABNLAHFQLGIW-UHFFFAOYSA-O 431.581 5.085 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1 18091589 NDUPGFBNSHEEBU-UHFFFAOYSA-N 449.344 5.995 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22730013 CQXFRZNDAXVCDL-UHFFFAOYSA-O 437.588 5.924 30 20 IKED C=C(C)CN/C(S)=C(/C(=O)c1ccc(Oc2ccccc2)cc1)[n+]1ccccc1CC 24566680 PVRQWQJDSLJXQA-UHFFFAOYSA-O 431.581 5.433 30 20 IKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc(SC4CCCC4)cc3)CC2)cc1 58107757 LJWVCRKUKXFQEV-UHFFFAOYSA-N 434.609 5.333 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(c1ccc2[nH]ccc2c1)[C@@H](C)CC(C)C 60346958 KWYWXHQQKOYXCP-KRWDZBQOSA-N 442.567 5.100 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 62903363 KRAQOUJHDLOHJK-UHFFFAOYSA-N 437.952 5.004 30 20 IKED COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 97547536 URXQPZFFAPWXMF-AREMUKBSSA-N 442.515 5.181 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNCc2cn(Cc3ccccc3)nc2-c2ccccc2)c1 237024189 LLAFHZDJRXMNSV-SANMLTNESA-N 436.559 5.569 30 20 IKED C=CCOc1cccc(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)c1 303069668 ZSPIBIYGIMJQBP-BDYUSTAISA-N 440.543 5.370 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1 409554296 KWNSYTKNBUAOIE-PXDATVDWSA-N 428.557 5.607 30 20 IKED C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)o1 409819599 WMLNCBRHPBRMCS-TXCSNJEZSA-N 428.507 5.746 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(NC(=O)c2ccccc2)c1 410268574 BOLXNYRBJRIGOG-UHFFFAOYSA-N 439.968 5.552 30 20 IKED N#Cc1cccnc1OC1CCC(N[C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 426025443 VRODGNNMKNZFGA-VHYCJAOWSA-N 432.955 5.265 30 20 IKED N#Cc1cccc(-c2cc(C(=O)N3CCC[C@H]3c3ccc(Br)c(F)c3)on2)c1 431161523 YQNKAGAODJOCJT-IBGZPJMESA-N 440.272 5.092 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCCc1cccc(OCC(F)(F)F)c1 432087319 CYBNQNRIWNENOU-OAHLLOKOSA-N 437.487 5.244 30 20 IKED N#CCCC[C@@H](NCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)c1ccccc1 433018129 CSGPVFPPRILOES-TZIWHRDSSA-N 432.549 5.044 30 20 IKED Cc1ccn(C2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)CC2)n1 433236670 ZWULSBDOGNLVHZ-UHFFFAOYSA-N 449.942 5.165 30 20 IKED CC[C@H](C#N)Sc1nc2scc(-c3ccc(C)cc3)c2c(=O)n1C[C@@H]1CCCO1 436048431 HIVPKHNUXMTJQY-DLBZAZTESA-N 425.579 5.007 30 20 IKED CCCc1c(NC(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)cnn1-c1cccc(C#N)c1 439680661 LNVNNJHNNDDWOB-LJQANCHMSA-N 433.943 5.371 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1 440037199 LGRQRRWGGMGJKD-UHFFFAOYSA-N 441.457 5.066 30 20 IKED N#CC1CCC(CNC(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)CC1 440996649 HLOVFBVSWVKXET-BPZDKFOGSA-N 426.358 5.168 30 20 IKED N#CC1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccc3ccccc3c2)CC1 441151806 VQFNPZBJTBCIKB-NXOAZNNHSA-N 443.591 5.059 30 20 IKED Cc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(C)c1 441738849 PPYRCQUFGIALDX-GOSISDBHSA-N 445.494 5.265 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)C(=O)Nc2cccc3ccsc23)cc1 442224500 QOORBZQQKXXODS-UHFFFAOYSA-N 441.512 5.124 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1cc2[nH]ccc2cc1C)c1ccc(C(F)(F)F)cc1 445141353 UJTJRFDXZVDXQJ-GOSISDBHSA-N 429.442 5.257 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(NC(=O)c4ccccc4)nc3)cc2)cc1 460278682 CCNCBPNHPQJHTP-UHFFFAOYSA-N 448.482 5.445 30 20 IKED Cc1nc(C(F)(F)F)sc1C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 462603462 AJXPXPFVCISTSN-JTQLQIEISA-N 434.308 5.105 30 20 IKED C=CCN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]21)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 463099263 PVQWNYKGTSOHAA-WMTXJRDZSA-N 446.572 5.048 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H](CC(=O)OC(C)C)C1 463959164 AURIBGGCEZZBHM-NRFANRHFSA-N 449.551 5.031 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)ccc1NC(=O)c1cccs1 464476381 PHZFOGMQCAACKV-OAHLLOKOSA-N 429.423 5.213 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(C(=O)N(C)C)c(Cl)c2)cc1 464922978 URYNSLFAUYYNJQ-UHFFFAOYSA-N 433.895 5.267 30 20 IKED COc1ccc(-c2cncc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)c2)cc1 467070973 YASJYXDOTZIUBG-JOCHJYFZSA-N 425.513 5.679 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 476076884 BVWCQKBPMXWRLO-LJQANCHMSA-N 440.609 5.354 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2csc(-c3ccco3)n2)cc1 478600382 TWLZZBBZDVMNQK-UHFFFAOYSA-N 444.516 5.370 30 20 IKED Cc1sc([C@H](C)NC(=O)CSc2ccc(C#N)cc2)nc1-c1ccc(Cl)cc1 479212650 SGTRKXSEUFEWKP-ZDUSSCGKSA-N 427.982 5.613 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(Cc3nc(-c4ccccc4Cl)cs3)CC2)c1 480737611 VTEADAWRBWDPLA-UHFFFAOYSA-N 436.968 5.186 30 20 IKED COc1ccc(F)cc1[C@@H](C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481621712 HWEBBSJNHVZBJG-OAHLLOKOSA-N 437.446 5.307 30 20 IKED CCOc1cc(-c2nnc(SCc3ccc(F)cc3C#N)o2)cc(OCC)c1OCC 483131343 RESITPLEHDGDTB-UHFFFAOYSA-N 443.500 5.236 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CCOCC(F)(F)C(F)F 485522773 PNEIGZHJLIVAGB-UHFFFAOYSA-N 428.813 5.052 30 20 IKED Cc1nc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(Br)s1 485723779 IWADFHCYPXMLAV-OAHLLOKOSA-N 446.757 5.775 30 20 IKED COc1ccc(CN[C@@H]2CSc3ccc(Br)cc32)cc1OCCCC#N 486803334 QTQQIAYVADILMI-QGZVFWFLSA-N 433.371 5.077 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(F)cccc1Br 486811051 TTWSBZJWJVTVJX-UHFFFAOYSA-N 426.245 5.208 30 20 IKED Cc1ccsc1-c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)o1 488842811 UKBDXKFHSJNRNE-UHFFFAOYSA-N 430.580 5.039 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1cccc(OC)c1 488891183 DZFGSKGMTVNSBF-KRWDZBQOSA-N 447.564 5.660 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccc(C)cc1 489619242 PCUBSMJSOVOIHN-QGZVFWFLSA-N 441.000 5.829 30 20 IKED N#Cc1ccc(Br)c(CSc2nnc(C3CC3)n2Cc2ccccc2)c1 491830524 DOYRGHYURNUJMC-UHFFFAOYSA-N 425.355 5.130 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N(Cc1cccc(C(F)(F)F)c1)C(C)C 499202580 QFEMOFWSEIFWMZ-UHFFFAOYSA-N 434.458 5.182 30 20 IKED CC(C)CN(C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1ccc(C#N)cc1 499957882 ULKJQLYCJBRPAZ-UHFFFAOYSA-N 431.483 5.809 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(F)cc3Br)c2)cc1 501425851 PSIZENJQEJGOFP-UHFFFAOYSA-N 439.284 5.486 30 20 IKED C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 505192936 DPPDNZFPFNBAED-AWEZNQCLSA-N 434.342 5.440 30 20 IKED C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(c2ccc(Br)c(C)c2)CC1 509014156 RNOZHPCCYATRJG-MGPUTAFESA-N 445.405 5.017 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1Cl 510022089 BKNCCKPRJBNBSB-JTHBVZDNSA-N 448.954 5.547 30 20 IKED C=CCN(C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1nc2c(s1)CCCC2 510204759 ASBCUJSZWSHGKW-UHFFFAOYSA-N 425.941 5.695 30 20 IKED CCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 511788521 URHMGKGSWVWYHJ-UHFFFAOYSA-N 427.504 5.393 30 20 IKED CC[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(Cl)s1 512724643 HFHZATHWDZUWJR-SFHVURJKSA-N 438.940 5.798 30 20 IKED COc1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3-c3ccccc3C#N)c2)cn1 513373639 XBEUGOWYXIWEFA-UHFFFAOYSA-N 448.482 5.133 30 20 IKED C=CCN(C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1nc2c(s1)CCCC2 514596706 YZYPCYQXNLEGHB-JOCHJYFZSA-N 445.588 5.102 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4cccc(C)c4)c3C)n2)cc1 516270349 UNEZFMCBWANSIL-FQEVSTJZSA-N 428.517 5.111 30 20 IKED CN(C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@H]1CCc2ccccc21 517151493 MXMAFBBCONPTTD-VWNXMTODSA-N 443.934 5.080 30 20 IKED C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(OCC(F)(F)F)cc1 520215978 KPLRRLMEKFVJIH-GOSISDBHSA-N 440.465 5.929 30 20 IKED Cc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(OC[C@H]2CCCO2)c1 521955222 XOVRVLQLMJBZJM-XMMPIXPASA-N 442.515 5.664 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1 522484472 OXIQLPAIENSRLA-UHFFFAOYSA-N 437.427 5.384 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2cccs2)o1 522585050 AJGFUFYRSYUXIJ-NRFANRHFSA-N 428.513 5.506 30 20 IKED CC(C)CN(C(=O)c1cc(Br)sc1Br)c1ccc(C#N)cc1 523882568 ROBPNKSFYOAHCA-UHFFFAOYSA-N 442.176 5.448 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 524831581 AKIXKOSVPPEOPX-RDJZCZTQSA-N 428.533 5.312 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCc4c(cnn4-c4ccccc4)C3)cc2)c1 530985822 YCVVEDNYIBREJS-UHFFFAOYSA-N 435.487 5.126 30 20 IKED COc1cccc(OC)c1Oc1ccc(CNc2ccc(C#N)cc2Br)cn1 534143387 BPDPCBJWSVPQAY-UHFFFAOYSA-N 440.297 5.137 30 20 IKED COc1ccccc1COC1CCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 536733856 IQHYLFVUIUKGNQ-SFHVURJKSA-N 439.581 5.160 30 20 IKED CN(C(=O)c1ccccc1-c1ccccc1C#N)c1nc(-c2ccccc2[N+](=O)[O-])cs1 537150608 GKRPYGDOKZEYFH-UHFFFAOYSA-N 440.484 5.534 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)c1nc(-c2ccccc2)cs1 542589915 HRGFOZIDSPMPRQ-IRXDYDNUSA-N 436.606 5.351 30 20 IKED C[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccc(-c2cccc(C#N)c2)cc1 543917865 PLSOCIDKXFMBOM-IBGZPJMESA-N 436.515 5.083 30 20 IKED COc1cc([C@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1S(C)(=O)=O 543962830 KXBXNYKSJPISTK-MSOLQXFVSA-N 434.561 5.049 30 20 IKED C=C(C)[C@H](Cc1nc(-c2ccccc2-c2ccc(CN3CCCC3=O)cc2)no1)OCC 545613072 LPEFPETXCFYIPI-QHCPKHFHSA-N 431.536 5.050 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCCC[C@@H]3CCCCO3)cc2Cl)c1 546222343 HHJCZELYOZESHK-FQEVSTJZSA-N 427.932 5.261 30 20 IKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc(C#N)c(Cl)c1)CC2 548606837 HXDMIWYBWBONRP-JOCHJYFZSA-N 438.936 5.078 30 20 IKED CC(C)Oc1ccc([C@H](CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)N(C)C)cc1 554444731 QEQYJJYZJWCNQX-AVRDEDQJSA-N 440.613 5.150 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3cccc(OCc4cccs4)c3)CC2)c(F)c1 560768379 VBKTXIQLVLLCKZ-UHFFFAOYSA-N 436.508 5.021 30 20 IKED N#Cc1ccc(N2CCC(c3nc([C@H](F)c4ccc(C(F)(F)F)cc4)no3)CC2)c(F)c1 561929442 JEPATUAIIZQLIP-LJQANCHMSA-N 448.395 5.542 30 20 IKED COc1ccc(Cc2nc(C)c([C@H](C)NC3(c4cccc(C#N)c4)CC3)s2)cc1OC 569268626 GJVUNKBARIISGE-KRWDZBQOSA-N 433.577 5.271 30 20 IKED N#Cc1cc(NCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)ccc1Cl 585725647 ZPLCQZKPBMXGQO-QGZVFWFLSA-N 426.954 5.124 30 20 IKED CN(C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1cc(F)ccc1F 589024494 ZSBQXCVDGTXMEP-UHFFFAOYSA-N 443.290 5.124 30 20 IKED N#C[C@H](C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)c1nc2cc(F)ccc2s1 592974532 SRACEQRCHUIUKL-MRXNPFEDSA-N 445.504 5.235 30 20 IKED N#CCCCN1C(=O)CCc2cc(NCc3cccc(Br)c3Cl)ccc21 600854437 QTLMEFAVOIRAJQ-UHFFFAOYSA-N 432.749 5.298 30 20 IKED C=CCN(C(=O)CS[C@@H](C)c1nc2ccccc2[nH]1)c1nc(-c2ccccc2)cs1 603458717 IAHHAGZNSJRGLW-INIZCTEOSA-N 434.590 5.700 30 20 IKED Cc1nc(SCC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c(C#N)c(C)c1C 603578670 XAFDIZXOLVRHBW-UHFFFAOYSA-N 427.533 5.153 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)COCc2nc3ccccc3s2)cc1 604249051 LSKVIUUPSHPRTF-UHFFFAOYSA-N 445.519 5.053 30 20 IKED Cc1cc(F)ccc1-c1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1F 605075105 PMHDTIQIBQTSCL-SFHVURJKSA-N 437.396 6.175 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCN(C(=O)c3sc4ccccc4c3C)CC2)c1 607398067 VYYQHZVEHFCKBR-UHFFFAOYSA-N 449.576 5.155 30 20 IKED CC[C@@H](C)n1ncc2c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)cc(C)nc21 609064513 BGLOFDMTAGDQKA-GOSISDBHSA-N 439.519 5.414 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(Cl)c(C(F)(F)F)c1 609370787 XPBIIKKDBDFVNJ-GFCCVEGCSA-N 428.863 5.771 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cnc(Sc2nccn2C)c(Cl)c1 609376909 LKFDCZJMPZIWBB-CYBMUJFWSA-N 443.985 5.124 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccn(-c2ccccc2F)n1 609378349 DCEGNDDGTPHUDX-UHFFFAOYSA-N 434.418 5.288 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 609382821 TZJISBNAVCDBMA-XIKOKIGWSA-N 431.970 5.033 30 20 IKED C[C@@H](C#N)CSc1ccccc1NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 609384763 RAHBTGNVOLKGSQ-LBPRGKRZSA-N 427.879 5.661 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCCc4cc(OC(F)(F)F)ccc43)cc2)nc1 609499669 KFFLLCRRQPLXFP-UHFFFAOYSA-N 439.393 5.237 30 20 IKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 609520677 VLAMVROBNNGVHV-RPLLCQBOSA-N 440.543 5.785 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(C(=O)Nc4cccnc4)cc3)c2)c1 609659447 DIYCKACWTIAKLK-UHFFFAOYSA-N 448.482 5.037 30 20 IKED C=CCn1c(SCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)nnc1C1CC1 609721982 MNPHBKBWDZGRCI-UHFFFAOYSA-N 432.549 5.093 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cccc(CN3CCCC3=O)c2)c1 609723212 VCTUJDYUJHHEEI-UHFFFAOYSA-N 445.906 5.379 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](CCO)c2ccccc2)cc1Cl 610142056 RVLWOBNZDMUFFF-REWPJTCUSA-N 433.939 5.283 30 20 IKED C[C@@H](NC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1)c1cccc(C#N)c1 610360716 DIORUPYDYYOXAR-OAHLLOKOSA-N 448.320 5.064 30 20 IKED N#Cc1ccc(N2CCC(NCc3nc(-c4cc(Cl)ccc4Cl)cs3)CC2)nc1 611084149 HCBSRDDIXGKCPY-UHFFFAOYSA-N 444.391 5.142 30 20 IKED N#C[C@H](C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1ccc2ccccc2n1 613292510 MTWMNHQIYYMDRR-QFIPXVFZSA-N 434.524 5.665 30 20 IKED CCCOc1ccc(Oc2ncccc2CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1 618804275 HYHYGORPFLGYBC-XMMPIXPASA-N 442.519 5.021 30 20 IKED Cc1ccc2oc(CN(Cc3ccco3)C(=O)N[C@H]3CCc4cc(C#N)ccc43)cc2c1 618842092 HUMJNJKAHOCWLK-DEOSSOPVSA-N 425.488 5.605 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(Br)c(F)c1 620691912 BNZRINCGSGVVCD-IUCAKERBSA-N 436.165 5.228 30 20 IKED C=CCn1c(S[C@H](C)c2nc3ccccc3n2C(F)F)nc2cc(Cl)ccc2c1=O 648039183 KFSOMUWCWUEOIF-GFCCVEGCSA-N 446.910 5.834 30 20 IKED O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674564598 ITGVGXUPFKGCRJ-AOOOYVTPSA-N 444.244 5.545 30 20 IKED N#C[C@H](C(=O)c1ccc([C@@H]2CCCOC2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 679537709 IWVVEBWCYRWMAL-NVXWUHKLSA-N 430.451 5.699 30 20 IKED CC(=NNc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc2c(c1)Nc1ccccc1S2 726426562 UOTKIBABULBESE-UHFFFAOYSA-N 445.516 5.727 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cccc(-n2nccc2-c2ccccc2)c1 726755891 LHGNGJUEJONDNI-UHFFFAOYSA-N 443.510 5.288 30 20 IKED CC(C)(C)OC(=O)N[C@H](CCC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccccc1 729372194 AJAYRNNJJRYZBY-QGZVFWFLSA-N 445.466 5.144 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](c1cc(Br)ccc1F)C(F)(F)F 730405815 NHQWRTXYHLWFEL-MGPLVRAMSA-N 446.194 5.074 30 20 IKED O=C(/C=C\c1ccc(OCc2occc2C(=O)O)cc1)c1ccc(Br)cc1 730952482 XGCPZGGHKIILAE-KMKOMSMNSA-N 427.250 5.215 30 20 IKED N#CCOc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1 731156047 FXCLWHWBJSTXLY-UHFFFAOYSA-N 433.924 5.177 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 731333319 XXRHWSJSTKHJQI-SGTLLEGYSA-N 434.348 5.519 30 20 IKED CNc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc(Cl)n1 732285259 ZJBUUXNITXVKPD-UHFFFAOYSA-N 427.291 5.133 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 732707820 GGBYQFHKTDMWSL-NRFANRHFSA-N 448.469 5.843 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(-c3ccc(C)cc3)cc2F)ccc1OC 733232895 ZHAIJDZVGQKUGE-NRFANRHFSA-N 432.495 5.421 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCCCSc2nccs2)c1 735053259 CUKCHHVFJQBPHK-UHFFFAOYSA-N 429.954 5.373 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc(-c2ccccc2C(F)(F)F)cs1 735453054 OZDWLBIOJNGJOP-UHFFFAOYSA-N 442.422 5.645 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)c1 740917274 MYVPPMZFRDUMPN-BWKNWUBXSA-N 431.511 5.290 30 20 IKED O=C(/C=C/c1ccc(Br)cc1F)c1ccc(S(=O)(=O)C2CCCC2)cc1 741446947 CRTXHACJTFSSHH-XYOKQWHBSA-N 437.330 5.201 30 20 IKED CC(C)c1nc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)nn1-c1ccccc1F 741879412 GORXHPFERZHLRL-UHFFFAOYSA-N 426.451 5.288 30 20 IKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N[C@@H](C)c4cccc(C#N)c4)cc3)ccc12 743776745 FUXCMYPOLZRTJR-SFHVURJKSA-N 438.483 5.043 30 20 IKED COc1cc(C(=O)N(CCC#N)CC(C)C)ccc1OCc1ccc(Br)cc1 751381616 WITZPLZGPTWQEX-UHFFFAOYSA-N 445.357 5.049 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 752618717 VUWCROKZUKAARK-RDJZCZTQSA-N 433.499 5.979 30 20 IKED CCC[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(F)cc1F 759075947 QVXDKIKXPSZGSX-ISKFKSNPSA-N 447.485 5.216 30 20 IKED CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)[C@@H](C#N)c1nc(C(C)C)cs1)OCC3 759410112 QKEHAHNKEKDGJO-CLOONOSVSA-N 435.593 5.755 30 20 IKED C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)c1cccc(C(=O)c2ccccc2)c1 762049801 GJWOWQBXIMAWHL-VGSWGCGISA-N 437.524 5.416 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)c3ccccc3Nc3ccc(OC(F)F)cc3)CCO2)c1 762385227 RUAJGDJMWDYKKW-QHCPKHFHSA-N 449.457 5.117 30 20 IKED CC(C)(C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccc([N+](=O)[O-])cc1F 762996354 RVUMXRPGYLJPJS-OAHLLOKOSA-N 443.887 5.665 30 20 IKED N#Cc1cc(NC(=O)c2ccc(Br)c(C(F)(F)F)c2)c(Cl)c([N+](=O)[O-])c1 764308066 YKRWVVLYSDGPDB-UHFFFAOYSA-N 448.582 5.153 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN(Cc2cccs2)CC(F)(F)F)c1=S 765054398 FVJVGIXSSKVEPB-UHFFFAOYSA-N 439.532 5.136 30 20 IKED C[C@@](O)(CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1Cl 765756989 OGXHSMQEWUHVQX-XMMPIXPASA-N 436.964 5.141 30 20 IKED N#CCOc1ccc(Cl)cc1CSCc1nc(-c2cc(F)c(F)c(F)c2)no1 767825504 VRQNGIXTPDTTIG-UHFFFAOYSA-N 425.819 5.143 30 20 IKED N#C[C@H](NC(=O)c1c(Cl)ccc(Cl)c1Cl)c1ccc(OCc2ccccc2)cc1 768139542 RGOOCRBHWGYYCU-IBGZPJMESA-N 445.733 6.220 30 20 IKED COCCc1nc(C)c(C(C)=NNc2ncnc3scc(-c4ccc(C)cc4)c23)s1 770596818 PHKGTSCKQJMERN-UHFFFAOYSA-N 437.594 5.457 30 20 IKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cnc(Cc2ccccc2F)s1 773974430 CJMUJALRMQLKKG-HNNXBMFYSA-N 448.306 5.141 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)c1 779103186 AKDHOYVDSONMMS-FCEUIQTBSA-N 429.358 5.140 30 20 IKED CCOC(=O)Nc1ccc(NCc2cccc(NC(=O)c3ccccc3Cl)c2)cc1C#N 779598965 HYQXALLHXWVNOF-UHFFFAOYSA-N 448.910 5.644 30 20 IKED COc1ccc(-c2nn(CN3CCC(C)(C#N)CC3)c(=S)n2C2CCCCC2)cc1 779879208 SDYAWHRHRNJGDE-UHFFFAOYSA-N 425.602 5.178 30 20 IKED CC[C@H](C)c1ccc(-c2cc(C(=O)[C@@H](C#N)C(=O)c3nccn3C)c3ccccc3n2)cc1 780445817 SSXDFTXTVGLENX-HTAPYJJXSA-N 436.515 5.354 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)Nc2ccccc2O[C@@H](C)C#N)c1C 780579692 PYMAXVUBGQYYKM-LBPRGKRZSA-N 444.322 5.731 30 20 IKED C#CC[C@@H](NC(=O)N1CCC(c2nc(-c3ccccc3OC)cs2)CC1)c1ccccc1 790436958 GPCQRQFUPLEQCR-JOCHJYFZSA-N 445.588 5.472 30 20 IKED O=C(C[C@@H]1CCCOC1)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 793799786 JZTXDEBXRRGCKC-XPTSAGLGSA-N 437.302 5.261 30 20 IKED CCCCCCCCCCNC(=O)N1CCC(O)(c2scnc2Br)CC1 797472136 YMQAXOQTBPAXIC-UHFFFAOYSA-N 446.455 5.039 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)s1 797571492 RZUPXBNDBCMRPF-WOJBJXKFSA-N 431.561 5.178 30 20 IKED Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cs1 810606616 ZCCORLNRCUQQEM-MRXNPFEDSA-N 427.570 5.992 30 20 IKED O=C(O[C@@H](c1nc2ccccc2o1)C(F)(F)F)c1cc(F)c(C(F)(F)F)cc1F 816062421 OGOVAMAPVGUNRS-ZDUSSCGKSA-N 425.231 5.585 30 20 IKED O=C(Nc1ccc2c(c1)OCCO2)/C(=C\c1ccc(Cl)s1)C(=O)c1ccccc1 834756314 MQFPIGANSPRZGC-LGMDPLHJSA-N 425.893 5.078 30 20 IKED C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2cc(Cl)c(OC)c(OC)c2)no1 904408213 XXTFFNZXKBJNOT-ZDUSSCGKSA-N 444.315 5.116 30 20 IKED COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3sccc3Br)c2)cc1 915112482 AMIYNNANIXSYEV-YHYXMXQVSA-N 442.334 5.668 30 20 IKED COc1cc(/C=C(\C(=O)c2nc3ccccc3s2)c2ccccc2)ccc1OCC(=O)O 916133876 QWGAKGUKYHLEGZ-AQTBWJFISA-N 445.496 5.192 30 20 IKED N#C[C@H](C(=O)CCc1ccc(-c2ccccc2)o1)c1nc(O)c2c3c(sc2n1)CCCC3 916845660 BDFBUKAUWKQVHB-GOSISDBHSA-N 443.528 5.345 30 20 IKED COc1ccc2cc(/C=C\C(=O)[C@@H](C#N)C(=O)Nc3cc(C)c(Cl)cc3OC)ccc2c1 916901223 BJCFMVSGPQMNAK-FMSOUQGNSA-N 448.906 5.180 30 20 IKED COc1ccc(-n2c(C)cc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)c2C)cc1 916917811 JZSCJHDFDHCAHX-XMMPIXPASA-N 437.499 5.217 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2cccc(Br)c2)cc1 916955071 MDNTXUNPJLTSDC-MGPUTAFESA-N 427.342 5.243 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917046608 LHPRSLBIEVEPOL-HNNXBMFYSA-N 441.343 5.646 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)COc2ccc(Cl)c3cccnc23)cc1 917119398 CDKJXOWWPTUGEI-OAQYLSRUSA-N 427.891 5.561 30 20 IKED Cc1cc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1Cl 920141497 PHSDSJMBBMNHGG-IBGZPJMESA-N 435.936 5.679 30 20 IKED C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 920266925 BJGKKTYLEKHONQ-SMDDNHRTSA-N 434.373 5.869 30 20 IKED CC[C@@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(Cl)cc1 920841106 GVHIGLPGUSRKAQ-LJQANCHMSA-N 439.899 5.371 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5cc[nH]c45)cc3)CCC2)cc1 1789094028 NNLPTJZKFXXVSL-UHFFFAOYSA-N 434.499 5.101 30 20 IKED CC(C)(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CCC4)CCC3)cc2)cc1 1790685160 FLPIVGXZFHDTCH-UHFFFAOYSA-N 445.563 5.305 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792123425 ZXMHJCQFSYEMNT-HXUWFJFHSA-N 445.563 5.044 30 20 IKED CC[C@H](C)[C@@H](C(=O)N1CCC2(CCCN(C(=O)[C@@H](S)C(C)C)C2)CC1)c1ccccc1 1806060763 NQRXZDAXWZUWJZ-WWNPGLIZSA-N 444.685 5.002 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C2(C)CCCCC2)[C@@H]1c1cccnc1 1810501907 FBVAIBCHZRCLAE-FCHUYYIVSA-N 425.617 5.050 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2C2CC2)[nH]n1 1819310845 BZSHWZXWZMGRSV-AUSIDOKSSA-N 432.568 5.361 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1824145531 JGGTXTWAVVQSPP-LVXARBLLSA-N 447.623 5.315 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccs2)CC1 1825309450 JEOHDPGNDYBSJN-HSZRJFAPSA-N 428.642 5.069 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc(C(F)F)c2)CC1 1825401145 DFYIYEMJPCRTQW-JOCHJYFZSA-N 445.554 5.021 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ncoc3c2)CC1 1828294587 CNWLJDOIVWZTDB-QFIPXVFZSA-N 437.584 5.054 30 20 IKED CCC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)CCC1 1828478152 DAIPQVFSYBDGPD-YKSBVNFPSA-N 435.612 5.127 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC2CCC2)CC1 1828903402 HJPZWDPFSXENJR-DEOSSOPVSA-N 444.736 5.238 30 20 IKED CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)nnc1-c1ccc(Cl)cc1 9071648 OAWZZWJCTXVYKN-MRXNPFEDSA-N 439.972 5.046 30 20 IKED C=CCN(C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12)c1nc2c(s1)CCCC2 22376642 MIZDCACONZJCNP-UHFFFAOYSA-N 448.548 5.576 30 20 IKED C=CCn1c(SCc2ccc(OC(F)F)c(OC)c2)nnc1-c1ccccc1OC 23014325 XFKLZLFLCWKALX-UHFFFAOYSA-N 433.480 5.042 30 20 IKED CC(C)c1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(C(C)C)c1 27138888 WNYFWFRTYSXGPP-UHFFFAOYSA-N 446.551 5.908 30 20 IKED Cc1cc(C)cc(-c2nnc(SCC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)o2)c1 46581967 RWFOCAOITLONKS-GOSISDBHSA-N 446.557 5.446 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1ncc(-c2ccccc2Cl)o1 62896669 JNXQGUKKYZCYAS-UHFFFAOYSA-N 425.872 5.051 30 20 IKED C=CCN(C(=O)c1ccc(OCc2noc(CC)n2)cc1)c1nc(-c2ccccc2)cs1 79356177 IVRKBLVPRQDZJG-UHFFFAOYSA-N 446.532 5.167 30 20 IKED CCOc1ccc(-c2nn(CN(CC)C[C@@H](C)C#N)c(=S)n2-c2ccccc2F)cc1 110493137 YMPLCALDOUADTN-KRWDZBQOSA-N 439.560 5.047 30 20 IKED C=CCOc1ccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccccc3)s2)cc1OC 210160914 IWFNBWZZNGDUNL-FOWTUZBSSA-N 427.913 5.101 30 20 IKED CN(Cc1ccccc1CNCc1cn(CCC#N)nc1-c1ccccc1)C1CCCCC1 237155389 IHDBBAZSGWAXGI-UHFFFAOYSA-N 441.623 5.518 30 20 IKED COc1ccc(-c2n[nH]c(=S)n2N=Cc2c3ccccc3cc3ccccc23)cc1OC 254404587 BPUQSUQNPDXIQL-UHFFFAOYSA-N 440.528 5.813 30 20 IKED COc1ccc(-c2ncc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)s2)cc1OC 430610473 KRYWZZFGMLKELF-CYBMUJFWSA-N 427.551 5.071 30 20 IKED CN(C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2)c1ncccc1F 434316756 SYSIKXOHOODRNO-NVAPZFPCSA-N 438.387 5.306 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1)c1ccccc1 435733972 DNXWDEPABMNIEJ-NRFANRHFSA-N 435.911 5.290 30 20 IKED CC(C)(C#N)CCCCS(=O)(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 436089346 IVANUYAVNUUGEY-UHFFFAOYSA-N 430.517 5.464 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O 436404977 ABXNGQXXBWSIHE-XMSQKQJNSA-N 428.598 5.143 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2)cc1 439384391 SWDYCQQMAJDTBJ-UHFFFAOYSA-N 443.356 5.086 30 20 IKED COc1ccc([C@H](C)NC(=O)c2cn(CCCC#N)c3ccccc23)cc1Br 443922808 OWVTXOLOCUNPLZ-HNNXBMFYSA-N 440.341 5.207 30 20 IKED CN(C)CCN(Cc1ccco1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 446835214 JTRZHSRJBLFTCP-UHFFFAOYSA-N 438.915 5.193 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H]1c1cccc(F)c1 460566770 MHGXYGUYCRLODT-HJOGWXRNSA-N 432.543 5.580 30 20 IKED CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1 464923145 MJLMXXVVPGUHHZ-UHFFFAOYSA-N 433.895 5.913 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H](C[C@H](C)O)c1ccccc1 469689171 FVEZKDXZTFWMKZ-GBXCKJPGSA-N 443.547 5.122 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 469691670 RQEJHYRZJGNVGO-HOTGVXAUSA-N 427.545 5.891 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)C1CCC(C(F)(F)F)CC1 469831201 MQWIRTJEDBAWFQ-UXUKBGGZSA-N 435.330 6.184 30 20 IKED C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470556522 PUPMXBRDEZEESZ-QGZVFWFLSA-N 430.508 5.241 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)c1 471523102 QWRLAMGMQZJSQI-UHFFFAOYSA-N 443.434 5.096 30 20 IKED COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cc1 474427246 OLBQFKPIYQVUER-GOSISDBHSA-N 437.477 5.466 30 20 IKED N#CC[C@@H](CC(=O)N1CCC[C@H]1c1ccccc1I)c1ccccc1 476047144 BNORBHCOLXRVTK-PXNSSMCTSA-N 444.316 5.042 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)N[C@H](CC(F)(F)F)c2ccccc2)CC1 476135561 FUDWVAKNAPYPRW-SOAGJPPSSA-N 431.458 5.241 30 20 IKED N#CC[C@@H](CC(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1ccccc1 476159035 QSUYFMXKGUJQGI-IBGZPJMESA-N 439.437 5.596 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(Br)c(C)cc1OC 480180875 RCSMWULVNMDEFA-UHFFFAOYSA-N 435.366 5.154 30 20 IKED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)cc1 481029736 BISVVSJFPINROK-KKSFZXQISA-N 445.972 5.175 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@@H](C)Cc1ccc(O)cc1 483345772 SVYKFSMAAWACEF-IBGZPJMESA-N 429.520 5.246 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cnc(-c2ccsc2)s1 484413744 YQUWFEIQZTZCLH-UHFFFAOYSA-N 439.509 6.148 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)Nc2cccc(Oc3ccncc3)c2)CC1 485377906 BZDPVJFDMSDFLX-UHFFFAOYSA-N 428.492 5.257 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H]3c3cccc4c3OCCO4)c2)cc1 486530377 FYTNHLFIRBRDCR-QHCPKHFHSA-N 426.472 5.099 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(COC3CCOCC3)c2)cc1 487223870 NBDUGJYTGHKJPC-UHFFFAOYSA-N 428.488 5.298 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)c1nc(-c2ccncc2)cs1 488238503 NMOQLIVHFLHISL-ZDUSSCGKSA-N 433.455 5.280 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C(=O)OC)c1ccccc1Cl 489611862 BMKNORRWXZIFHR-FQEVSTJZSA-N 443.956 5.011 30 20 IKED C=CCn1c(SCC(=O)c2ccc(NC(=O)C(C)C)cc2)nnc1-c1ccc(C)cc1 489642359 QLOGQGSHIGGGGJ-UHFFFAOYSA-N 434.565 5.009 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCn3c(cc4cc(Cl)ccc43)C2)cc1 494575180 BNCUNGVHDOIVDK-UHFFFAOYSA-N 448.954 5.157 30 20 IKED N#CCN(C(=O)c1cc(/C=C\c2cccs2)nc2ccc(Br)cc12)C1CC1 495499440 IKMAVQDUSDKZIR-DAXSKMNVSA-N 438.350 5.357 30 20 IKED C=CCNc1nnc(Sc2nc(CN(C)C)nc3scc(-c4ccccc4)c23)s1 498648383 GDMFYRMMLBMVGG-UHFFFAOYSA-N 440.623 5.021 30 20 IKED CSc1ccsc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 499595285 VZYQXHLEBLKQOB-LLVKDONJSA-N 425.387 6.390 30 20 IKED CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)n1 501168499 HLTGVIIEBKLOST-UHFFFAOYSA-N 429.505 5.282 30 20 IKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1 501829930 NAVWVYFISQHATL-RBZFPXEDSA-N 430.624 5.402 30 20 IKED Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 503536795 JTGVSKZJYAYGAW-HXUWFJFHSA-N 449.448 5.252 30 20 IKED Cc1ccc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1ccccc1F 503982931 YFQGSILYZZIVAQ-UHFFFAOYSA-N 439.490 5.188 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)N[C@@H](C#N)c3ccccc3Cl)c2)cc1 505635451 NQXNRBJMLDXOQP-VWLOTQADSA-N 446.934 5.435 30 20 IKED Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1NC(=O)c1ccccc1 505965223 IALWVYPUNLSZNO-NRFANRHFSA-N 438.314 5.549 30 20 IKED C=CCn1c(SCC(=O)c2ccc3c(c2)COC3)nnc1-c1ccc(C(C)(C)C)cc1 506640483 ZTPNZSHDSMDIGF-UHFFFAOYSA-N 433.577 5.434 30 20 IKED N#Cc1ccc(N2CCN(C(=O)Nc3ccc(Sc4ccccc4)c(Cl)c3)CC2)nc1 508261039 WHOXAPNKJJFXHC-UHFFFAOYSA-N 449.967 5.112 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCO[C@]4(CCc5ccccc54)C3)c2)cc1 510869573 PYFGHJVIVWFIDB-AREMUKBSSA-N 425.488 5.056 30 20 IKED CC(=O)N[C@@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccs1 514544420 KLOYIUJSDPGLBS-FPOVZHCZSA-N 437.952 5.263 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H](c1ccccc1)C(C)C 516738456 MHEMBYCOEDBDOB-DEOSSOPVSA-N 427.504 5.111 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(Oc4ccccc4Cl)cc3)CC2)c1 517893285 DPJJMOUJDBHUOT-UHFFFAOYSA-N 447.922 6.079 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3nnn(-c4cccc(Cl)c4)c3C)n2)cc1 518175810 HJSJKNJTJRHRGT-SFHVURJKSA-N 433.924 5.151 30 20 IKED C[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)N(C)Cc1ccccc1 518963048 CDZFXUUGIHLWTF-FQEVSTJZSA-N 429.589 5.101 30 20 IKED COc1ccc(CCCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC 519942197 FUVZZLHMXVXYTH-UHFFFAOYSA-N 445.519 5.431 30 20 IKED CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1 520714324 NNAICHMARYOANI-QGZVFWFLSA-N 445.494 5.404 30 20 IKED COc1cc(Cl)ccc1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 520782615 XXQTUXQSNWXRTA-UHFFFAOYSA-N 435.911 5.429 30 20 IKED CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1[N+](=O)[O-] 520837463 VKUMLRXEXPHPIO-UHFFFAOYSA-N 439.415 5.270 30 20 IKED N#C[C@H](NC(=O)COC(c1ccccc1)c1ccccc1)c1cccc(Cl)c1Cl 521292174 JXZRBHFMWBXICF-FQEVSTJZSA-N 425.315 5.480 30 20 IKED CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 521595566 MVJYHILCWXJAJL-UHFFFAOYSA-N 449.457 5.118 30 20 IKED Cc1cc(C)c(-c2csc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)n2)c(C)c1 521788851 URASBFHPTWYXBY-UHFFFAOYSA-N 446.576 5.401 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)c2ccccc2SCc2cccs2)CC1 521965676 XLYFXFVCISWFPR-UHFFFAOYSA-N 448.613 6.032 30 20 IKED CCOCc1ccccc1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 522338957 GFCKMOXDFICINZ-UHFFFAOYSA-N 431.511 5.146 30 20 IKED COc1cc(CSCc2noc(-c3ccsc3)n2)ccc1OCc1cccc(C#N)c1 522629547 SDYDNJTVGYKOPI-UHFFFAOYSA-N 449.557 5.691 30 20 IKED Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 522641266 ZRTQOCPRAPMFSN-UHFFFAOYSA-N 445.906 5.457 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC(c3ccc(O)cc3)CC2)c1 523949024 HGISCSCCOQRVOQ-UHFFFAOYSA-N 432.907 5.729 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c1C 524958406 MRARJMWEWMRHES-RTBURBONSA-N 440.425 5.002 30 20 IKED CC(=O)N(CCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N)Cc1ccccc1 525083255 ANBSAYRPHLFTBA-UHFFFAOYSA-N 445.950 5.184 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cccc1-c1ccccn1 533635792 OGAHWSDOFYLYKJ-SFHVURJKSA-N 440.528 5.136 30 20 IKED CC(C)Cn1cc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c(C(F)F)n1 534929280 KKBZOVIFUYPMLA-UHFFFAOYSA-N 428.414 5.532 30 20 IKED Cc1cccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1Br 535999909 YMCPJRKHAFOZRA-UHFFFAOYSA-N 435.321 5.655 30 20 IKED C[C@@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)c2ccccc2N(Cc2ccccc2)C1=O 538560842 YVUNCAYUOKYTEA-HXUWFJFHSA-N 435.527 5.071 30 20 IKED Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1ccccc1SC[C@@H](C)C#N 542137430 LWBACLFOWMYHFZ-KDLAUNOPSA-N 446.576 5.149 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F 553319852 FUIKCLZXHGEROX-UZLBHIALSA-N 447.526 6.859 30 20 IKED CN(CCC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 554180371 YGZPTIKBZRLBLR-FBMGVBCBSA-N 426.476 5.006 30 20 IKED Cc1nc(-c2cccc(NC(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)c2)oc1C 554192377 ALSNAORTRZTRCP-UHFFFAOYSA-N 434.471 5.045 30 20 IKED C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 555263527 LIPNDORTKXTDER-KRWDZBQOSA-N 435.503 5.395 30 20 IKED C=CCn1c(S[C@@H](c2ccc(Cl)cc2)C2CCOCC2)nnc1-c1ccccn1 558457793 UBHUACIGBCLJBE-FQEVSTJZSA-N 426.973 5.440 30 20 IKED Cc1ccc(C)c(OCc2nnc(Sc3c(C#N)cnc4c(F)c(F)c(F)cc34)o2)c1 561105095 GNYJGGNVKXTJMK-UHFFFAOYSA-N 442.422 5.254 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1SCc1cc(F)c(C(F)(F)F)cc1F 561442409 TWSOKGZHZMHJOG-UHFFFAOYSA-N 446.489 5.082 30 20 IKED C=CCOc1cc(OC)ccc1-c1nc(-c2ncoc2-c2cccc(C(F)(F)F)c2)no1 563949267 RJQRMAKTZDJWJS-UHFFFAOYSA-N 443.381 5.651 30 20 IKED CCCc1c(NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cnn1-c1cc(C)ccn1 565806136 GIBFMSNPYGGOQJ-KRWDZBQOSA-N 434.569 5.567 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Br)cc1C(F)(F)F 567535501 SCRYSJPWVSPRPI-UHFFFAOYSA-N 447.251 5.163 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)CSCc3cc(-c4cccs4)on3)cc2)ccn1 589470616 RLSRWPQJDXJTER-UHFFFAOYSA-N 448.529 5.334 30 20 IKED N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)c1cc(C(F)(F)F)ccn1 589794943 DSKIFIRVPXNHMZ-INIZCTEOSA-N 435.427 5.533 30 20 IKED C=CC1CCN(C(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)CC1 601157149 NJHDEUNPOAPLAP-UHFFFAOYSA-N 437.927 6.004 30 20 IKED Cc1cccc2c1C(=O)N(CCc1ccccc1)[C@H](c1cn(C)nc1-c1ccc(C#N)cc1)N2 602761765 UHKBOAOPOCCXOK-HHHXNRCGSA-N 447.542 5.076 30 20 IKED CCCCOc1ccc(-c2nnc(CSc3nc(C)cc(C(F)(F)F)c3C#N)o2)cc1 603722400 MBPDRDCMJLDOBV-UHFFFAOYSA-N 448.470 5.802 30 20 IKED N#CCCn1cc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)c(-c2ccccc2)n1 603804289 WZYWDRAKEXREBZ-VWLOTQADSA-N 437.478 5.374 30 20 IKED CC(C)N(C)CC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 603830878 HSZAHAVYYCIJEE-HSZRJFAPSA-N 439.003 5.580 30 20 IKED Cc1c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cnn1-c1ccccc1F 603992033 OFESHGOSINXNHB-UHFFFAOYSA-N 428.492 5.271 30 20 IKED CSc1nc(O)c(C(=O)Nc2ccc(Sc3ccccc3Cl)cc2)cc1C#N 604452411 TYSLODJPPUIWSL-UHFFFAOYSA-N 427.938 5.438 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@H](c2ccccc2)C(F)(F)F)n(C2CCCCC2)c1C 604484018 KTRZWYADNIZFHN-OAQYLSRUSA-N 432.490 5.314 30 20 IKED CN(C(=O)c1cc2ccccc2n1CC#N)[C@H]1CCSc2ccc(Br)cc21 609175715 XMPOBHCARILCHH-SFHVURJKSA-N 440.366 5.236 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1CN1CCCC[C@H]1C 609401841 BONYZBVHDIVFJM-WOJBJXKFSA-N 436.625 5.634 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 609427700 CGZGCOWPACSVNY-QGZVFWFLSA-N 427.529 5.188 30 20 IKED C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccc(COc2ccccc2C#N)o1 609510493 VKKBCAKALOOROA-HNNXBMFYSA-N 428.410 5.110 30 20 IKED CN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 609658870 CJQKENRGLNIISM-UHFFFAOYSA-N 425.532 5.010 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2CCCN(c3ccccc3)C2)cc1 609686930 HFCSWMKBRHSEOZ-VWLOTQADSA-N 442.538 5.078 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](Cc2nccn2C)c2ccccc2)cc1 610684888 GJISPWLDGXCMFM-DEOSSOPVSA-N 436.515 5.106 30 20 IKED CC(C)c1nn(-c2ccc(Br)cc2)cc1CNCc1ccc(C#N)cc1F 611198711 RSBXZEDHFIXAKU-UHFFFAOYSA-N 427.321 5.059 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC(OCc4ccc(F)cc4)CC3)cc2)cc1 611261988 FHZGYCBPTWCQRR-UHFFFAOYSA-N 444.506 5.505 30 20 IKED COc1cc(C(F)(F)F)ncc1NC(=O)c1ccccc1Sc1ccccc1C#N 616711267 OJODQLXYPOSRHD-UHFFFAOYSA-N 429.423 5.384 30 20 IKED O=C(CCCOc1ccc(F)cc1F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 620691941 GOVRADXGIMYSQB-PJXYFTJBSA-N 433.339 5.150 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3ccccc3)no2)nc2sc3c(c2c1=O)CCC3 677549088 BMMOQFUHGLYPOP-ZDUSSCGKSA-N 436.562 5.036 30 20 IKED CCOc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccccc2)cc1 726570473 AKYLMYLMVFEPKB-UHFFFAOYSA-O 436.944 5.221 30 20 IKED CC(=O)N(c1ccccc1)c1nc(C=NNc2ccc(OCC(F)(F)F)cc2)cs1 727262158 MFSGYVJVVKKXFT-UHFFFAOYSA-N 434.443 5.215 30 20 IKED C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 729616678 VDTKPTCZCDMHBC-OAQYLSRUSA-N 437.515 5.311 30 20 IKED CC(C)[C@@H](OC(=O)c1cc2ccccc2n1CC#N)C(=O)Nc1cc(Cl)ccc1Cl 729766391 GIWHVVKOIUAABC-HXUWFJFHSA-N 444.318 5.292 30 20 IKED CCN(CC)c1ccc2cc(C(=O)/C=C\c3ccc(OC)c(OC)c3Cl)c(=O)oc2c1 730434731 SKEASUCLAFAJGX-FLIBITNWSA-N 441.911 5.206 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 730686071 CVTXIVIOMAOANM-IHRRRGAJSA-N 442.129 5.751 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)C(C)(C)c1ccccc1Cl 731078618 PBZRSXSUWGYAQQ-OAHLLOKOSA-N 430.957 5.051 30 20 IKED N#C[C@@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1ccc(OC(F)(F)F)cc1 731197496 USYMWYFIDMQUGQ-QGZVFWFLSA-N 438.496 5.449 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H](O)c3cccc(C(F)(F)F)c3)cc2)c1 731400278 MTVSDAKKNDADNM-NRFANRHFSA-N 441.409 5.224 30 20 IKED Cc1ccc(C)c(-n2nc(C)c(/C=C\C(=O)c3ccc(C(F)(F)F)nc3O)c2Cl)c1 731564651 NPELORORSSOJKY-VURMDHGXSA-N 435.833 5.466 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2)nc1 731972916 RNYNLKMXEAXUPP-VWLOTQADSA-N 430.467 5.653 30 20 IKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cnn1-c1ccccc1Cl 732709179 YUPUZOPGBVUYTC-CYBMUJFWSA-N 447.709 5.102 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(COc3cccc(F)c3)c2)c1 733843722 UXSXZKSRSDIKPZ-JOCHJYFZSA-N 433.483 5.407 30 20 IKED Cc1csc(-c2cccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2)n1 740535882 PSGYKFZUPYAPAM-OAHLLOKOSA-N 430.316 5.387 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)c1 741934020 OQSOKWXBSNGAOC-SFHVURJKSA-N 441.959 5.326 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=S)Nc2ccc3c(c2)OCCCO3)cc1F 743034711 BDKQNGJLTPCDHE-UHFFFAOYSA-N 435.480 5.460 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(Cc2cccs2)C(=O)N[C@H]1c1ccc(C#N)o1 743742741 OSHPEQKJJBMZAR-FQEVSTJZSA-N 437.908 5.133 30 20 IKED COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)Nc1ccc(Cl)c(C#N)c1 743822338 BZSSTUHYTYAIJT-UHFFFAOYSA-N 436.295 5.473 30 20 IKED N#C[C@@H](C(=O)NC1CCCC1)C(=O)c1cccc(CSc2c(Cl)cccc2Cl)c1 744038136 NJNPOPTYNGMBQY-QGZVFWFLSA-N 447.387 5.667 30 20 IKED CCc1ccccc1O[C@H](C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 744980550 HMKYLWOYHBURIV-DEOSSOPVSA-N 439.471 5.034 30 20 IKED C=CC[C@H](NC(=O)NCC(C)(C)Sc1ccc(Br)cc1)c1ccncc1 745827947 PAWFQLCNKFOUIV-SFHVURJKSA-N 434.403 5.331 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 747638203 WSNUMGFODKJMCQ-OAQYLSRUSA-N 440.484 5.626 30 20 IKED CC1=C(C(=O)Nc2ccccc2C(C)C)[C@H](c2ccc(C#N)s2)NC(=S)N1C1CC1 749014660 NDYCMOYNSDNPNR-NRFANRHFSA-N 436.606 5.049 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)[C@@H](C)c2ccc(Cl)s2)n(C2CCCC2)c1C 750549409 UWJOXFKCDIIKSR-ZDUSSCGKSA-N 433.961 5.092 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)OC[C@@H](C#N)Cc1ccccc1 750782477 IXDPYYDGUKESHX-QGZVFWFLSA-N 438.936 5.502 30 20 IKED C[C@@H](C[C@H](O)c1cccs1)NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 752277305 VRSXRJOMOHGOCY-LIRRHRJNSA-N 426.925 5.307 30 20 IKED CC(C)(C)OC(=O)N(CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1ccccc1 761103234 BXMVIKKZZMLMSB-INIZCTEOSA-N 425.485 5.053 30 20 IKED C=CCC[C@@H](NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)c1ccc(C(F)(F)F)cc1 761743433 OJJHCQMQCMLLLT-YADHBBJMSA-N 443.469 5.367 30 20 IKED N#C[C@H](NC(=O)c1nc(Br)sc1C1CC1)c1cccc(Cl)c1Cl 764507610 QQCDVLDINWHWRK-JTQLQIEISA-N 431.142 5.084 30 20 IKED C=CCn1c(-c2cccc(OC)c2)nn(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1=S 765047401 NFPRCZFNPLQGIV-DHIUTWEWSA-N 445.592 5.005 30 20 IKED COc1cc(/C=C/C(=O)Nc2ccc(C#N)cc2Cl)ccc1OCc1c(C)noc1C 769732015 XFZSPQPBCNHKQR-RMKNXTFCSA-N 437.883 5.056 30 20 IKED N#CCCCn1cc(C(=O)Nc2cc(-c3ccccc3Br)no2)c2ccccc21 769962033 WLHQNIRSPGZJGK-UHFFFAOYSA-N 449.308 5.615 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)c1 773025195 PNAJXNMVQHKWCM-LJQANCHMSA-N 444.000 5.487 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 773275270 NQDCYKOKCJPSET-PBEJRMEISA-N 427.545 5.197 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1csc(-c2cccc3ccccc23)n1 778191761 QQULJMGFFYSGJE-UHFFFAOYSA-N 447.903 5.284 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 780673336 RDSWNRPDILFHOG-ZDUSSCGKSA-N 446.454 5.441 30 20 IKED CCc1ccc(Cl)c(CC)c1NC(=O)CCCOC(=O)C1(c2ccc(C#N)cc2)CC1 781400620 GZBMVUJDZUSQCX-UHFFFAOYSA-N 438.955 5.330 30 20 IKED N#C[C@@H](C(=O)NCc1ccc(F)c(F)c1)C(=O)c1sc2cccc(Cl)c2c1Cl 786573116 VIMXIQNVILXNFE-SNVBAGLBSA-N 439.270 5.125 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 788348825 MFWYINWUEUOYQU-UHOSZYNNSA-N 438.936 5.461 30 20 IKED Cc1cc([C@H](CC(=O)O[C@H](C)c2ccc(C#N)cc2)NC(=O)OC(C)(C)C)cc(Cl)n1 788373867 YNGLKEFTZPMDCA-BEFAXECRSA-N 443.931 5.175 30 20 IKED C=C(Cl)CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccsc1 790733316 SIMBDYLAMPCBKC-QGZVFWFLSA-N 433.986 5.078 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Br)cn1 793403876 WVFDFCCLDBXSGB-FOIQADDNSA-N 435.325 5.382 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Br)cn1 793403879 WVFDFCCLDBXSGB-YWZLYKJASA-N 435.325 5.382 30 20 IKED Cc1ccccc1[C@@H](O)C1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 804518827 HOKOCGKQQWJZSP-SANMLTNESA-N 426.516 5.245 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)cc1 915087393 TVINXYRSDIRQLE-KNQAVFIVSA-N 447.947 5.437 30 20 IKED CN1CCc2nc3ccccc3c(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2C1 915180799 RYJDKXYAYPXCMH-HSZRJFAPSA-N 432.527 5.130 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 915200038 TVDGCBCBTSSBPG-DHLKQENFSA-N 438.531 5.225 30 20 IKED C[C@H](c1ccc(Cl)cc1Cl)N(C)CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 915215947 DKGDNANVAYNSKU-DYVFJYSZSA-N 425.319 5.223 30 20 IKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1F 915353608 PHJJCMUPWKNOAF-VWNXMTODSA-N 439.494 5.126 30 20 IKED N#C[C@H](C(=O)CCc1ccc(Cl)cc1Cl)c1nc(O)c2c3c(sc2n1)CCCC3 916847109 LSJZGVBLRSXWFE-CQSZACIVSA-N 446.359 5.392 30 20 IKED Fc1ccc(OCc2nnc(S)n2N=Cc2ccc(-c3cccs3)cc2F)cc1 917543374 NGFUVNANECZMKQ-UHFFFAOYSA-N 428.489 5.035 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)COc1ccc(OCc2ccccc2)cc1 920105549 AINMYTYPLPEKHH-HSZRJFAPSA-N 438.483 5.026 30 20 IKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)CC4CCCC4)cc3)CCC2)c1 1787614911 LYCZLHFIBMRRLF-UHFFFAOYSA-N 429.564 5.205 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3nccc4occc34)CCC2)cc1 1789451979 XWAHIXQEZNMAJI-FQEVSTJZSA-N 429.520 5.344 30 20 IKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C)oc4C)CCC3)cc2)c1 1790796855 PEVFIPAKUIABOV-UHFFFAOYSA-N 427.504 5.138 30 20 IKED Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)n1 1792122300 JDTKOEGDVLIKJA-SFHVURJKSA-N 438.531 5.079 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)c2ccc(C)cc2)[C@H]1c1cccnc1 1802500632 AWQLTRAMEPSGEG-ZODMCCGTSA-N 447.623 5.192 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)[C@H]1c1cccnc1 1812902334 RZLFHDLMMYVBAZ-LYIXCCSJSA-N 437.628 5.072 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(OC)c2C)[nH]n1 1814445851 YOLOGLVCPSKPIG-FQEVSTJZSA-N 438.572 5.025 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cccnc3s2)[nH]n1 1819305335 IDBUUPACOHYSIK-IEBWSBKVSA-N 449.580 5.094 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)cc(Cl)c2)[nH]n1 1819311300 UTAGHZQICNUNGR-UYAOXDASSA-N 444.938 5.277 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C(C)=C/c2ccc(C)o2)[nH]n1 1819554535 FSQZQHIVQRTZHX-ZDJZVTAXSA-N 438.572 5.399 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1oc3ccccc3c1C)CC2 1819599552 IJCMVVZIAJIPJM-IAGOWNOFSA-N 449.576 5.192 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccsc2)CC1 1827103530 UKRPMCOGENZQIJ-QFIPXVFZSA-N 430.658 5.293 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1828744345 DSEQKZZANCXYBJ-JTSKRJEESA-N 442.003 5.267 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc3ccccc23)CC1 1828828878 UISMDBOHAWYMQH-BKMJKUGQSA-N 445.607 5.237 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)nc2F)CC1 1829066111 OUZDXTOFFQQYGD-LJQANCHMSA-N 449.998 5.100 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc(CCCCC)s2)CC1 1831377277 XFLXEEXHOSZDBI-TZIWHRDSSA-N 445.673 5.321 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCSCc2ccccc2F)cc1 17604280 KWXUMBGZEOUFCD-UHFFFAOYSA-N 436.577 5.653 30 20 IKED Cc1c(C#N)c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nc2c1CCC2 18457686 AZJRXERZVORJHO-LLVKDONJSA-N 439.890 5.542 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2c(C)cc(C)cc2Cl)[n+]2cccc(O)c2)cc1 22732735 VHMHACNSJBQGGV-UHFFFAOYSA-O 425.961 5.309 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 23604707 OCRUSVMPPWKNRN-UHFFFAOYSA-O 447.411 5.839 30 20 IKED N#CCc1ccc(NC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)cc1 26383871 WYWOXXSYMPZTBU-UHFFFAOYSA-N 435.593 5.326 30 20 IKED COc1cccc(CO[C@@H](C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 107875523 NHXBYBAJLFRITM-SBUREZEXSA-N 434.923 5.548 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccccc1OC(F)F 409473606 AJYKJVBXJOKKEG-UHFFFAOYSA-N 443.263 5.087 30 20 IKED C[C@@H](Nc1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1)c1ccccc1 429667456 KRLDDHTTZWWMPH-HXUWFJFHSA-N 435.531 5.889 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2c(-c3ccncc3)nc3ccccn23)cc1 430656584 WTQBKLPIIBNHTL-UHFFFAOYSA-N 449.445 5.452 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1c(F)cccc1F)C1CCCC1 438044536 YLGHLLYKMJECHY-INIZCTEOSA-N 429.536 6.336 30 20 IKED N#Cc1ccc(NC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc1C(F)(F)F 438655119 XMCWHXGCLRTTFO-QGZVFWFLSA-N 444.240 5.489 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438669690 TTYVIDBLEUOSMF-UHFFFAOYSA-N 426.451 5.581 30 20 IKED Cc1oc(C#N)cc1C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 439112374 PAHHRMJBJDWZBW-UHFFFAOYSA-N 431.345 5.122 30 20 IKED CCCc1c(NC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cnn1-c1cccc(C#N)c1 439677970 LJDSXQUVQPNOMF-NFBKMPQASA-N 449.942 5.002 30 20 IKED CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)C(C)(C)C 441841906 AQVGULXSHXWCDZ-IBGZPJMESA-N 447.457 5.249 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC(Cc3ccccc3Cl)C2)cc1C 443837056 NRUQEQZIIBBYTD-UHFFFAOYSA-N 432.955 5.049 30 20 IKED N#Cc1ccc(NC(=O)c2ccccc2OCc2ccc(Br)cc2)cc1C#N 460103277 KISVXGUVJWDETB-UHFFFAOYSA-N 432.277 5.024 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(CCc1nccs1)C(C)C 460789976 CQKGPOBHGMHCSQ-KRWDZBQOSA-N 429.565 5.047 30 20 IKED Cc1ccc([C@@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)s1 461822989 BBBJKCGDZSJFPW-SFTDATJTSA-N 433.581 5.097 30 20 IKED CC(C)c1nn(C)c2sc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)cc12 463478958 QBZQVYFTTBQWOP-UHFFFAOYSA-N 430.533 5.461 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(NC(=O)NC(C)C)cc2)cc1 464855076 IPEZQBZEJNFYGI-UHFFFAOYSA-N 428.492 5.441 30 20 IKED CC[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1nc(C(F)(F)F)cs1 465249583 AITHKSQSRPKYCT-OAHLLOKOSA-N 435.427 5.087 30 20 IKED O=C(Nc1ccccc1CCC(F)(F)F)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 465473666 CMLKRIIRQHWXLX-UHFFFAOYSA-N 445.338 5.777 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(-c2ccccc2OC)cc1 466063938 ALSMXYFHVZZULQ-HXUWFJFHSA-N 430.548 5.830 30 20 IKED Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 467167238 BCQZTUDDCFLWCT-SFHVURJKSA-N 445.567 5.474 30 20 IKED CC[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(C)(C)c1ccccc1 470542470 OJIYUTIUEIXMNA-QHCPKHFHSA-N 432.568 5.147 30 20 IKED Cc1[nH]c2ccccc2c1C1=CCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 471161884 STFIRWUYLOQCQU-GOSISDBHSA-N 444.604 5.456 30 20 IKED CCOc1c(Br)cc(Cl)cc1NCc1nnc(-c2ccc(C#N)cc2)o1 471626938 RVBBOXISMOHFAT-UHFFFAOYSA-N 433.693 5.035 30 20 IKED C=C(C)Cn1c(S[C@@H](C)C(=O)c2ccccc2C(F)(F)F)nnc1-c1ccncc1 473780102 IBLMKPYGCNYVNL-AWEZNQCLSA-N 432.471 5.299 30 20 IKED C=C(C)Cn1c(SCC(=O)N2CCC[C@@H]2c2ccc(C)c(C)c2)nnc1-c1ccco1 481140501 OFDVOCNZCRZUDY-HXUWFJFHSA-N 436.581 5.187 30 20 IKED CC[C@@H](NC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F)c1nc(C(F)(F)F)cs1 482408728 WHZXNEGQGXVSQB-BXKDBHETSA-N 447.351 5.494 30 20 IKED CC(C)n1cc2c(n1)C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)CC2 483054122 QSVCQLJTCREAMU-IRLDBZIGSA-N 447.970 5.452 30 20 IKED N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1)c1cnc2ccccc2n1 483213433 LVPZPGOIWRTZCD-QGZVFWFLSA-N 446.293 5.658 30 20 IKED Cc1cc(C(=O)Nc2sc3c(c2C#N)CCCCC3)c2cnn(Cc3cccs3)c2n1 483764756 ZYKHGHGTKAWGKK-UHFFFAOYSA-N 447.589 5.304 30 20 IKED COc1ccc2[nH]cc(C3=CCN(C(=O)c4cccc(Oc5ccc(C#N)cc5)c4)CC3)c2c1 484702461 CXCSBQKKNARQGQ-UHFFFAOYSA-N 449.510 5.770 30 20 IKED COc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1Br 486105213 RZWCXFVMDHVCDU-UHFFFAOYSA-N 437.293 5.161 30 20 IKED O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1c(F)ccc(Br)c1F 486119310 UYQUJMSWICBJKM-CYBMUJFWSA-N 430.117 5.039 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(-c2noc(C(F)(F)F)n2)c1 490413220 LFFVXFGTRNGQOW-ROUUACIJSA-N 441.413 5.059 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2ccccc2)[C@H](CO)C2CC2)cc1 490570387 RZZMGRFQSGZWAZ-XMMPIXPASA-N 427.504 5.156 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC4(CC3)OCCc3ccsc34)c2)cc1 492002238 TTZATAJRMVCEEL-UHFFFAOYSA-N 445.544 5.508 30 20 IKED Fc1cccc(F)c1-c1nc(CN[C@@H](c2ccccc2OC(F)F)C(F)(F)F)co1 492371747 DQXJOGJHMSEKJT-INIZCTEOSA-N 434.311 5.614 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1ccnn1-c1ccc(C#N)cc1 497961838 XDRXXMIOZZRMLP-UHFFFAOYSA-N 425.926 5.143 30 20 IKED N#C[C@@H](NC(=O)CCOc1ccccc1-c1ccccc1)c1ccc(Br)cc1 499413376 TZZWAESLJQTYOF-OAQYLSRUSA-N 435.321 5.266 30 20 IKED CN(C)CCCC1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 500223825 YCHOXNYZPWTJMS-UHFFFAOYSA-N 425.960 5.198 30 20 IKED Cc1noc2nc(C3CC3)cc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c12 501450544 MFDSIKPCYNBZEF-UHFFFAOYSA-N 438.487 5.306 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1 505939553 WUNXMDGRAZUMKD-SFHVURJKSA-N 429.467 5.369 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F 506679085 BUHPGFNAEBPARE-GTNSWQLSSA-N 429.414 5.642 30 20 IKED N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cn1 509578822 RVNSIGNDYNTRRG-GOSISDBHSA-N 428.797 5.475 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1Cl 510023516 NFCBQQBCDAJZNI-HSZRJFAPSA-N 430.939 5.350 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 510873704 WVZHECZIRMTYPF-VWLOTQADSA-N 441.531 5.872 30 20 IKED N#Cc1ccc(Cl)c(C(=O)N2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c1 513281515 QXIWOAIKVKEGGF-UHFFFAOYSA-N 436.726 5.009 30 20 IKED Cc1cccn2cc(COc3ccc(C(=O)Nc4cccc(OCCCC#N)c4)cc3)nc12 515614248 CGOGSSIYUKPLPL-UHFFFAOYSA-N 440.503 5.157 30 20 IKED Cc1ccc(-n2ncc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c2C)cc1 515650538 ACGSYJDZRUWIQA-UHFFFAOYSA-N 436.515 5.387 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccccc1Oc1ccccc1Cl 516445528 FZQYMSHSLVXOJA-UHFFFAOYSA-N 447.922 5.381 30 20 IKED C[C@H](Nc1ccccc1NC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccccc1 517095170 AQLLZFWPXJTYDE-IBGZPJMESA-N 426.520 5.479 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1cccc(N2CCCC2=O)c1 517656087 OIEYTXADUGUPRG-LJQANCHMSA-N 439.515 5.163 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)cc2)nc1 517657894 YIQXQGFHWNDXMG-UHFFFAOYSA-N 434.427 5.400 30 20 IKED CC(=O)c1cccc(O[C@H](C)C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1 520117225 DCHZPLFPVGHRFC-LJQANCHMSA-N 430.479 5.209 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 520478706 CZAKZNUWEUJPMW-QFIPXVFZSA-N 442.966 5.108 30 20 IKED CCCN(CC)C(=O)c1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 521495052 HQFADPQTSISUSK-UHFFFAOYSA-N 427.504 5.475 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c12 521797637 RILPYWGHOMWVAF-MRXNPFEDSA-N 449.624 6.265 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCC2(Sc3ccccc3)CC2)cc1 521881945 HIOMWFNFSDYHDM-UHFFFAOYSA-N 430.598 5.905 30 20 IKED COc1cc(C)c([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC 522085706 WIQNAWKDCQPUCW-KRWDZBQOSA-N 431.492 5.559 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc1OC 522379668 HKYKXOKSUAUTRH-UHFFFAOYSA-N 436.895 5.418 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@H](c2ccccc2)c2nccs2)c1 522635007 UPGJHCNYFKDMGW-JOCHJYFZSA-N 445.931 5.980 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 523454987 ZUMZHFBLQKCRCG-SJBKTWHCSA-N 436.625 5.455 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)NC[C@@H]3CCCO[C@@H]3c3ccccc3)c2)c1 523727185 GSHMPWYXIMSRHI-AZGAKELHSA-N 426.516 5.035 30 20 IKED C=C(C)[C@@H](CC(=O)N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21)OCC 533710987 DBMHWMJGAJUHNX-JOCHJYFZSA-N 425.504 5.120 30 20 IKED C[C@H](c1ccccc1)n1c(SCCCC2(C#N)CCOCC2)nnc1-c1ccccc1 537510217 FDRABVCRCYFFGE-HXUWFJFHSA-N 432.593 5.747 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccc[nH]3)CC2)cc1 539458802 PHHBWVJNFGZEQR-UHFFFAOYSA-N 430.895 5.092 30 20 IKED Cc1cccc(NC(=O)CSCC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 541071008 ZYRSONLLVHFTFX-IBGZPJMESA-N 443.572 5.083 30 20 IKED Cc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c2cccnc2c1C 541135734 HCBIEHOGSXFOOL-IBGZPJMESA-N 448.526 5.206 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cnn(-c4ccccc4)c3C(F)(F)F)c2)cc1 542480547 GCBKNJQMVYEYFH-UHFFFAOYSA-N 448.404 5.807 30 20 IKED CN(C)Cc1ccc(-c2ccccc2CNC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 543789558 CQSGTXAAWBMRMZ-UHFFFAOYSA-N 438.619 5.041 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ncsc1C(F)(F)F 549005623 AARBUOXATNDKLE-SECBINFHSA-N 436.299 5.604 30 20 IKED CN1[C@H]2CC[C@H]1CC([C@H](NCc1cccc(OCCCC#N)c1)c1ccc(Cl)cc1)C2 549268467 GJVRRXDEOARSJX-KYPHJKQUSA-N 438.015 5.726 30 20 IKED CCNc1ccc(C#N)cc1NC(=O)c1oc2ccccc2c1CSc1ncccn1 552105177 KRKVYQMRCDRCST-UHFFFAOYSA-N 429.505 5.071 30 20 IKED O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 554913099 FXJDHKPVOACDKD-JSGCOSHPSA-N 430.339 5.332 30 20 IKED C=C(C)Cn1c(-c2cc(Cl)ccc2Cl)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 555290393 FFUSUFOSGHWLFT-GDLZYMKVSA-N 449.407 5.202 30 20 IKED N#Cc1cc(Oc2ccc(N[C@@H](C(=O)NCc3ccccc3)c3ccccc3)cc2)ccn1 571816618 PZTRQXGMPYADLM-AREMUKBSSA-N 434.499 5.215 30 20 IKED CCCc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccc(F)cc1 579750948 QIZAKIDXLYUGNN-MRXNPFEDSA-N 437.425 5.199 30 20 IKED N#Cc1cc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)nc2ccccc12 584078263 YQGYMUWYQAYLJG-UHFFFAOYSA-N 449.333 5.174 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1(c2cccc(C(F)(F)F)c2)CC1 589306228 PTLRPBUVTYALOK-STQMWFEESA-N 447.341 5.763 30 20 IKED CSc1ccc([N+](=O)[O-])c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 603613657 JMHWQWGMRUBBHM-LBPRGKRZSA-N 437.424 5.435 30 20 IKED O=C(c1cccc(COc2cccc(F)c2)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603829505 SQRZBBWOBSTRRS-IYBDPMFKSA-N 449.366 5.608 30 20 IKED COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 603961506 ZDMYCKFXHYIYRG-QGZVFWFLSA-N 446.528 5.043 30 20 IKED Cc1nn(C(F)F)c(C)c1CC(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 605479930 YQHOAULLPFKFAS-UHFFFAOYSA-N 445.310 5.036 30 20 IKED O=C([C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 607300491 BXHBAAAIMDOTSP-YRRQLQLVSA-N 449.313 5.278 30 20 IKED CCN(C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H](C)c1cc2ccccc2o1 609403241 GFHQLBOCOJWJPK-IAGOWNOFSA-N 435.549 5.233 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H](c3cccs3)N3CCCC3)cc2)c1 609434356 XMGHKRCKWWHCFJ-QFIPXVFZSA-N 432.549 5.371 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 609970882 OXNFAOIMYUUUTN-AWEZNQCLSA-N 430.455 5.395 30 20 IKED Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)o1 610018418 IMNLBRCLISDWDH-VWLOTQADSA-N 443.547 6.496 30 20 IKED CN(CC(C)(C)C)C(=O)c1cccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 610173348 XXOHEGKFLMAPRG-UHFFFAOYSA-N 441.531 5.721 30 20 IKED COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(C#N)c1)CCO2 610356299 OGPJHRBYPQNHAR-DFBJGRDBSA-N 441.531 5.363 30 20 IKED C[C@@H](NC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)c1cccc(C#N)c1 610364032 PMWNXHFBMLBPMN-QGZVFWFLSA-N 444.922 5.018 30 20 IKED CC(C)(C)S(=O)(=O)Cc1ccc(NCc2cccc(OCc3ccccc3C#N)c2)cc1 610910652 XVTKHQYALPBVNF-UHFFFAOYSA-N 448.588 5.463 30 20 IKED N#C[C@H](C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nc2cc(Cl)ccc2s1 613403716 RXBLXTYOKQTWNS-OAHLLOKOSA-N 437.933 5.754 30 20 IKED N#C[C@H](C(=O)c1cccc(Nc2ncccn2)c1)c1nc(-c2c(F)cccc2F)cs1 620304235 KRXJGMWDWSMMOS-OAHLLOKOSA-N 433.443 5.112 30 20 IKED C=CCN(C(=O)CCc1ncc(-c2ccccc2Cl)o1)c1nc(-c2ccccc2)cs1 648023036 LZERXMUBMRATCT-UHFFFAOYSA-N 449.963 6.270 30 20 IKED Cc1c([C@H](C)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cnn1-c1ccc(F)cc1 675739048 UPJZJKAHKVAOLE-UBHSHLNASA-N 437.403 5.880 30 20 IKED O=C(N[C@H](c1cccc(F)c1)c1ccccn1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 677993729 PGHNGDRHFNVJQN-GRDNDAEWSA-N 449.370 5.082 30 20 IKED C[C@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)c1cccc(NC(=O)c2ccccc2)c1 726461352 ZGWYCGIUFFDQFS-HNNXBMFYSA-N 434.952 5.512 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccnc2SC(F)F)cc1Cl 729319669 MORDZPUHYXTVRX-KRWDZBQOSA-N 429.879 5.957 30 20 IKED COc1ccc(/C=C/C(=O)c2cnn(-c3cccc(Cl)c3)c2C)cc1OCCCC#N 731565275 JPPJYWBFEONARB-CSKARUKUSA-N 435.911 5.421 30 20 IKED C#CCN(C(=S)Nc1cc(C)cc(C)c1)[C@H]1CCOc2ccc(Br)cc21 733086610 MNDHGILUMBSQGL-IBGZPJMESA-N 429.383 5.222 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)c1 733770780 GRVHJVLWDLUAFT-HXUWFJFHSA-N 430.470 5.515 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)CCN2c3ccccc3Sc3ccccc32)c1 733774197 CEKFEFRJZXCKPM-HXUWFJFHSA-N 443.572 5.677 30 20 IKED CCc1cccc2c(C3CCN(C(=O)NCc4cccc(O[C@H](C#N)CC)c4)CC3)c[nH]c12 733806004 VEICPUWRUFHLFP-QFIPXVFZSA-N 444.579 5.500 30 20 IKED C[C@H](Sc1ccc(Br)cc1)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 734081773 RJMUZUOKLWNZKR-LRDDRELGSA-N 444.379 5.325 30 20 IKED CC(C)NC(=O)c1ccccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 734998347 BQRSSQFIHSWVNA-UHFFFAOYSA-N 433.895 5.394 30 20 IKED O=C(/C=C/c1ccc(-c2nc3ccccc3s2)o1)c1ccc(S(=O)(=O)C(F)F)cc1 735233154 ZUKXLMWMYKGVNA-YRNVUSSQSA-N 445.468 5.449 30 20 IKED C=CCn1c(-c2ccco2)nn(CN2CCSC[C@H]2c2ccc(Cl)cc2)c1=S 738253114 DTBVDLDPPPMRSN-KRWDZBQOSA-N 433.002 5.261 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C 741638090 HNOFHLKNNBRYJZ-UHFFFAOYSA-N 446.482 5.292 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=S)NCc1ccc(OC(F)(F)F)cc1 742998851 OBXBWZCAYKVHMX-ZDUSSCGKSA-N 425.501 5.324 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Nc2ccc(NC(=O)c3cccs3)cc2)cc1 743474634 MMVJMHJUOOKPNV-SFHVURJKSA-N 432.549 5.056 30 20 IKED Cc1nn(C)c(C)c1C[C@@H](C)C(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 744036850 JICSFBLXFNMTSE-QTOFVSBJSA-N 436.625 5.016 30 20 IKED C[C@H](CC(=O)c1cccc(F)c1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 744037824 FFCGMPZUXQBIKY-ABAIWWIYSA-N 434.414 5.540 30 20 IKED C[C@@H](ON=Cc1ccccc1C(F)(F)F)c1nc(-c2cccc(C(F)(F)F)c2)no1 744443196 IDRAHPGFSXUYJC-LLVKDONJSA-N 429.320 5.886 30 20 IKED CC/C(=C\C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(Cl)c1 745756517 AQNOXHVOHMXLBJ-WECAROLCSA-N 442.968 5.710 30 20 IKED C=CC[C@@H](NC(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccncc1 745827549 LNOGJJLXBJRGHW-GOSISDBHSA-N 432.471 5.341 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(-c3ccncc3)cc2)cc(Br)c1OC 745989886 FHCKLGPKNFMCKI-WTKPLQERSA-N 438.321 5.815 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(-c2nc3ccccc3s2)cn1 751814033 QNEZOAOKJXAYGG-UHFFFAOYSA-N 425.473 5.174 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCSc1ccnc2cc(Cl)ccc12 751825942 NNOZLYVRACONDN-SFHVURJKSA-N 447.947 5.752 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)cc1C#N 752309211 NNJYLVPDVCKZED-IBGZPJMESA-N 444.944 5.102 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccccc3NC(=O)OC(C)(C)C)n2)cc1 756516070 QIMTXWSLFKHMIM-IBGZPJMESA-N 447.560 5.885 30 20 IKED C=CCNc1nc(C(=O)O[C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)cs1 757973487 IPJRLVFBXYNWBN-SECBINFHSA-N 425.297 5.016 30 20 IKED C[C@@H](C#N)Oc1ccc(CN[C@@H](c2cccc(F)c2)c2cccc(Br)c2)cc1 759289391 DEOJOSCYZHLJNB-QMHKHESXSA-N 439.328 5.758 30 20 IKED COc1ccccc1[C@@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccccn1 759607552 KBBIFOSKKKVLQG-RUZDIDTESA-N 440.455 5.080 30 20 IKED COC(=O)C1C/C(=C/c2cnc(C(C)C)s2)C(=O)/C(=C/c2cnc(C(C)C)s2)C1 761484786 BLLPAFJNVWRANS-DJJIWSAGSA-N 430.595 5.466 30 20 IKED N#Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c(Cl)c([N+](=O)[O-])c1 764301389 AEMYHRQKEBQEBK-UHFFFAOYSA-N 446.872 5.315 30 20 IKED N#Cc1cc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)c(Cl)c([N+](=O)[O-])c1 764306395 WALPZUXDUIBILC-UHFFFAOYSA-N 440.893 5.710 30 20 IKED COc1ccc2nc(C)c(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2c1 770108981 BXMABLADSXNIMR-INIZCTEOSA-N 441.434 5.670 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1cn(C)c2ccccc12 773984942 WYIJNNJTSNTKFZ-WFASDCNBSA-N 427.451 5.787 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@](O)(c3ccc(F)cc3)C2)cc1Cl 777567278 HMZGBVLMTMGFPW-RDGATRHJSA-N 449.913 5.260 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H](c1cccc(Cl)c1)C1CCCCC1 780064133 HLSWKIVMWLMALF-AOMKIAJQSA-N 439.943 5.007 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 780306160 RHZIKDIDJVOJBI-LJQANCHMSA-N 443.865 5.655 30 20 IKED N#CC1(COC(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)CCOCC1 780541511 FNMDYJUJLHHXJX-UHFFFAOYSA-N 448.306 5.115 30 20 IKED C=CCCN(Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1)OCc1ccccc1 782669263 SZZVWCFGULXVEL-UHFFFAOYSA-N 425.529 5.477 30 20 IKED C=CCn1c(SCc2cnc(Cl)cn2)nc2scc(-c3ccccc3)c2c1=O 789722393 JIYVZABFZVUTPZ-UHFFFAOYSA-N 426.954 5.047 30 20 IKED N#CC[C@H](CC(=O)OCc1coc(-c2ccc(Br)cc2)n1)c1ccccc1 795981490 CLIZPONVMDZSBJ-QGZVFWFLSA-N 425.282 5.235 30 20 IKED O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@](O)(C(F)(F)F)CC1 804553246 MRXXQFLWJXYJQX-XYBNCVKDSA-N 449.313 5.043 30 20 IKED CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)c3ccc(Cl)c(C#N)c3)n2)CC1 807885707 PDABJRDRMBMXRX-UHFFFAOYSA-N 446.960 5.035 30 20 IKED Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 810535801 LBXNNAXUSBBELG-VIFPVBQESA-N 433.242 5.003 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)s1 813446714 IGZNNSYTFYETDR-AWEZNQCLSA-N 439.459 5.133 30 20 IKED C=CCC(F)(F)C(=O)OCc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 815312005 IBHBYBZDRWIIBM-UHFFFAOYSA-N 434.386 5.101 30 20 IKED CC(C)(C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)c1csc(-c2ccccc2F)n1 816093087 ANEIUQLFWGHDAW-AWEZNQCLSA-N 433.430 5.517 30 20 IKED N#CCSc1ccccc1C(=O)Nc1nc2ccc(Cl)cc2n1Cc1ccccc1 819284249 CIFXOXRSHISSHP-UHFFFAOYSA-N 432.936 5.606 30 20 IKED Cn1c([C@@H](C#N)C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2ccccc21 916844150 WKYYDXRSMNUOIT-XHPSBEMXSA-N 437.343 5.501 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 916897553 OFQRUHWCJKQGIH-OSJSJHBBSA-N 440.343 5.393 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cc1 916912403 ZUTJJCRJSPJREU-HXUWFJFHSA-N 446.507 5.058 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(OCc3cscn3)c2)cc1 916954482 IHRJGJUKIWVRRV-AOMKIAJQSA-N 433.533 5.197 30 20 IKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 918035606 CWVNGYQGAUKYOL-AREMUKBSSA-N 448.570 6.543 30 20 IKED N#C[C@@H](C(=O)CSCc1ccc(Cl)cc1Cl)c1nc(-c2ccncc2)cs1 920268188 MRLMVBHMOQHXQU-HNNXBMFYSA-N 434.373 5.622 30 20 IKED CCOCCCn1c(NN=C(C)[C@H]2C[C@@H]2c2ccccc2Cl)nc2ccccc2c1=O 920370282 TVDWIXLEFBJTKR-WOJBJXKFSA-N 438.959 5.068 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2cc(Cl)sc2Cl)c1 924836137 DYWVPBPSEBSEKI-ZDUSSCGKSA-N 425.337 5.164 30 20 IKED Cc1ccc(Cc2sc(NC(=O)CN3CCC[C@@H]3[C@H](C#N)c3ccccc3)nc2C)cc1 1615607985 UDICPMHRXZQIQJ-DHIUTWEWSA-N 444.604 5.061 30 20 IKED COc1ccccc1SCc1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCCCC1(F)F 1768987545 IOFWWVYUEVJIQF-SJORKVTESA-N 449.571 5.000 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc4nc(C)ccc4o3)cc2)CCC1 1788323628 OJDRIFWZTZOLLE-UHFFFAOYSA-N 439.462 5.095 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)CCOc3ccc(C)cc3)CCC2)cc1)C(F)(F)F 1791302549 RVGUYWOCSWDUJM-UHFFFAOYSA-N 446.469 5.017 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)CCC1 1791331609 OLZIAAZWRORBHV-MRXNPFEDSA-N 429.775 5.259 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1cc(Cl)ccc1Cl)C2 1798337604 CZJDQLKRHYFPEL-PLACYPQZSA-N 449.422 5.333 30 20 IKED CC(C)[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@H](C)C#N)c2)C3)CC1 1801818078 LVSSDBQKXZYQEU-YAVBNHEZSA-N 435.612 5.028 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3ccoc3c2)[C@@H]1c1cccnc1 1812149157 XUEOSKPWJOZIQF-UPVQGACJSA-N 445.563 5.140 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3cnccc23)n[nH]1 1819128402 DKGGRZLWGPEFBD-CVDCTZTESA-N 443.551 5.032 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/Sc2ccc(C)cc2)n[nH]1 1819359405 ZUXNDUQBDCVGTL-RPHAWSJCSA-N 438.597 5.228 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccoc23)CC1 1830990560 QRAJCYIBCGUSKK-UPVQGACJSA-N 434.580 5.435 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cs1)c1ccc(F)cc1F 15188387 UTKPVARHOKHAPR-ZRDIBKRKSA-N 440.515 6.300 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)c1ccc2ccccc2c1 21459835 BGRKNNLMLKSAGE-UHFFFAOYSA-N 433.508 5.310 30 20 IKED N#CCCN(C(=O)CSc1nnc(-c2cccc(Cl)c2)o1)c1cccc(Cl)c1 21548259 MTJLAOVVMLLNBA-UHFFFAOYSA-N 433.320 5.082 30 20 IKED O/C(=N\c1nnc(SCc2ccc(F)cc2)s1)c1sccc1-c1ccccc1 21948032 JZQUGTICPKTACH-UHFFFAOYSA-N 427.551 6.334 30 20 IKED CCn1c(S[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nnc1-c1cccc(Cl)c1 22182227 VHSNNJXEEVFFJQ-JXORXQGFSA-N 446.020 5.030 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2cccc3ccccc23)cc1 23603065 KAAZRRCLEOCVAG-UHFFFAOYSA-O 442.608 6.076 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C(=O)Nc2ccccc2)c2ccccc2)n1 25036648 DENYLTKXKTYPPO-LJQANCHMSA-N 427.451 5.753 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(\S)Nc2cccc(C(F)(F)F)c2)c1 34737758 AXOGILFMGHFJAE-UHFFFAOYSA-O 443.514 5.969 30 20 IKED Cc1cc(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)c(C)n1CC(F)(F)F 58455876 ZHHRZVLQNISQQQ-UHFFFAOYSA-N 440.359 5.337 30 20 IKED N#Cc1ccc(-n2c(SCCCC(=O)c3ccccc3)nc3ccccc3c2=O)cc1 105339671 QURRMJNUGRJUEQ-UHFFFAOYSA-N 425.513 5.013 30 20 IKED N#CCSc1ccccc1NC(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1 303421765 CWQCQXBQZZTJQN-UHFFFAOYSA-N 448.495 5.238 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3cccc(NC(=O)c4ccncc4)c3)c2)cc1 303605526 KPZXKMTXNMFWKK-UHFFFAOYSA-N 448.482 5.037 30 20 IKED N#Cc1ccc(NC(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c(Cl)c1 426149631 RCFKFMHAAGGCPV-UHFFFAOYSA-N 436.865 5.017 30 20 IKED Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2F)nnn1Cc1ccc(C(F)(F)F)cc1 426474518 INQIXTRTMGYPPV-UHFFFAOYSA-N 446.326 5.064 30 20 IKED C=C(C)[C@@H](NC(=O)N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1)c1ccc(F)c(F)c1 430915619 DMGBVVMTDAEPHQ-JOCHJYFZSA-N 444.913 5.381 30 20 IKED N#Cc1cnc(C(=O)Nc2sc3c(c2C(=O)c2cccs2)CCCC3)c(Cl)c1 431565636 QFRKHJSEKCCIPL-UHFFFAOYSA-N 427.938 5.092 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1ccccc1 432639031 RWXREBWDAXLLLD-HXUWFJFHSA-N 426.492 5.569 30 20 IKED Cc1c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cnn1-c1ccccc1F 435338800 JVJKESUIDMAPHK-UHFFFAOYSA-N 426.451 5.023 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C2(OCc3ccccc3)CCOCC2)cc1F 435355256 BVSZLUDPKJBBES-UHFFFAOYSA-N 446.478 5.194 30 20 IKED COc1cccc(-c2ccc(CNC(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)c1 438045068 QOYRPHKQBMDDHV-SFHVURJKSA-N 431.561 5.936 30 20 IKED Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 438066112 ZACAOSPTVMWCBG-IFMALSPDSA-N 437.609 5.502 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)c(C)c1 438832588 CQVBLGHRUWNGMN-INIZCTEOSA-N 425.554 5.122 30 20 IKED COc1ccc(COCc2cccc(NC(=O)N[C@@H](CCC#N)c3ccccc3)c2)cc1 439369532 KIAPHFYBUCHNDK-VWLOTQADSA-N 429.520 5.579 30 20 IKED O=C(Nc1cccc(CCC(F)(F)F)c1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 440707108 WIYYUNSCGLDLGL-UHFFFAOYSA-N 446.326 5.172 30 20 IKED CO[C@H]1CCOc2c(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cccc21 448038432 KKOHETWPFOCNQB-DEOSSOPVSA-N 445.494 5.402 30 20 IKED C[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)Oc1ccccc1Cl 461362229 GRYROJGBUHDKTK-QGZVFWFLSA-N 436.964 5.701 30 20 IKED Cc1csc(Sc2ccc(NC(=O)N3CC(Oc4ccc(C#N)cc4)C3)c(C)c2)n1 461984576 LZTNPWJUSAUDTH-UHFFFAOYSA-N 436.562 5.078 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 464115935 POOMZUGYTFDQFB-UHFFFAOYSA-N 447.542 5.386 30 20 IKED C[C@@H]1CCCN1CC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccccn1)CC2(C)C 464837062 WZRWZHURFXOZQH-OAGJVSPASA-N 432.593 5.216 30 20 IKED Cc1ccc2c(CCC(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c[nH]c2c1 465131725 YTESLJQVRZQJCH-UHFFFAOYSA-N 431.483 6.072 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(-c3ccccc3OC)cc2)cc1 466090057 XGKWXGKNVFSCQR-SFHVURJKSA-N 429.520 5.161 30 20 IKED COc1cccc(-c2nnc(SCCCSCC#N)n2-c2ccc(Cl)cc2)c1 466614093 OACTVLQPVPZMKQ-UHFFFAOYSA-N 430.986 5.335 30 20 IKED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(=O)Nc1cc(Cl)ccc1Cl 469340345 NSRBHOIVRPYOQT-CQSZACIVSA-N 445.350 5.015 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ncoc3-c3ccc(F)cc3)cc2F)c1 471822421 UYHQTTFQYSIBIO-UHFFFAOYSA-N 431.398 5.323 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(COc3cccc(Br)c3)o2)n1 474426507 LCHBKTTYFFOXGT-INIZCTEOSA-N 445.338 5.691 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 475597677 ARBROFUTHTUYAW-DNVCBOLYSA-N 449.498 5.563 30 20 IKED C[C@@H](N[C@@H](c1ccc(F)cc1)c1nccn1C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 480336745 NDDIWKIRRISMEP-XIKOKIGWSA-N 445.382 6.037 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)cc1 480635780 LHUZPSWGXQXQNQ-KDOFPFPSSA-N 433.430 5.554 30 20 IKED C[C@@H](CC#N)N(C)C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482343290 HGAYNMNLJUMGOO-UFBFGSQYSA-N 435.290 5.271 30 20 IKED Cc1cc(-c2cc(C(=O)[C@H](C#N)c3nccc4ccccc34)c3c(C)noc3n2)c(C)s1 483241523 WGGOCMMFTNJFFP-HXUWFJFHSA-N 438.512 5.915 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(COC2CCOCC2)c1 487223263 MFGUCTPJZFSNLZ-UHFFFAOYSA-N 442.515 5.607 30 20 IKED C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 487842830 WPYRMQBPLLYRDG-LBPRGKRZSA-N 431.241 5.223 30 20 IKED C=CCn1c(SCC(=O)N(CC)[C@@H](C)c2ccc(F)cc2)nnc1-c1ccccc1C 488881508 OPTVRFKUEFFZRW-SFHVURJKSA-N 438.572 5.280 30 20 IKED N#Cc1ccccc1-c1ccc(CS(=O)(=O)Cc2coc(-c3cccc(Cl)c3)n2)cc1 494704506 VCBNCXRZUGQXLK-UHFFFAOYSA-N 448.931 5.649 30 20 IKED N#C[C@H](C(=O)c1ccc(Br)cc1C(F)(F)F)c1nc2ccccc2s1 499290183 RXCCKLCGGBWPLM-LLVKDONJSA-N 425.229 5.568 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1csc(-c2ccccc2)n1 500741487 GZJVMWHIHRHIQD-UHFFFAOYSA-N 425.513 5.964 30 20 IKED C=CCn1c(SCc2coc(-c3cccc(Cl)c3)n2)nnc1-c1ccc(OC)cc1 501587892 JLCPEQIQWYPEDV-UHFFFAOYSA-N 438.940 5.740 30 20 IKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)Nc1cccc(OCCCC#N)c1 502228896 GQVCCZBDPKGECN-UHFFFAOYSA-N 428.492 5.574 30 20 IKED Cn1c([C@@H]2CCCN2C(=O)c2ccc(OCc3ccccc3C#N)cc2)nc2ccccc21 503152792 AKAJODWMWMEKTR-VWLOTQADSA-N 436.515 5.001 30 20 IKED C=CCN(C(=O)CN(C)Cc1cccnc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 503179527 FPDVFHDDKAKQRT-UHFFFAOYSA-N 447.391 5.163 30 20 IKED C=CCCc1ccccc1NC(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 505010614 JLVSKLXFQIPQJX-UHFFFAOYSA-N 430.552 5.246 30 20 IKED Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 505324292 AVPAMRDLONVLFK-JOCHJYFZSA-N 440.528 5.087 30 20 IKED CC1(C#N)CCN(C(=O)c2cc(-c3cccs3)n(-c3cc(Cl)cc(Cl)c3)n2)CC1 507827137 QWUSXKVEPRGDAT-UHFFFAOYSA-N 445.375 5.673 30 20 IKED CC1(c2ccc(Br)cc2)CCN(C(=O)c2cccc(SCC#N)c2)CC1 508377012 RPYOOAIVLIWQRJ-UHFFFAOYSA-N 429.383 5.259 30 20 IKED C=CCOc1cccc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)c1 508743621 RCLHPAXJMSBPCC-UHFFFAOYSA-N 430.430 5.227 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)cc1 511005049 ZHDJLPIMJFKYLH-UHFFFAOYSA-N 447.457 5.063 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)c1C#N 511426350 YXHGNDUGNNBCBO-UHFFFAOYSA-N 440.638 5.326 30 20 IKED CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 511611859 SFQSQDZUWNILFY-AEFFLSMTSA-N 439.943 5.227 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1NC(=O)c1ccccc1F 513205757 FMIHLWLNRYNADD-QGZVFWFLSA-N 441.384 5.290 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 514205498 BRIZXHZQTLSKFV-OAQYLSRUSA-N 444.522 6.045 30 20 IKED CC(=O)c1ccc(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)o2)cc1 516270337 SVUHMJQGCBRUBX-FQEVSTJZSA-N 437.480 5.634 30 20 IKED COc1ccc(-c2noc(CSCc3ccc(-c4ccccc4C#N)cc3)n2)c(OC)c1 520665085 SZGSKZWWTGOQMT-UHFFFAOYSA-N 443.528 5.726 30 20 IKED Cc1cccc(C2(CNC(=O)C(=O)Nc3ccccc3SC[C@@H](C)C#N)CCCCC2)c1 520845564 MWFDXGIPQZGNAG-FQEVSTJZSA-N 449.620 5.204 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCCc3ccc4ccccc4n3)c2)cc1 521073346 YYUBWUIIBDNEHZ-UHFFFAOYSA-N 436.515 5.244 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)CCc3ncc(-c4ccccc4F)o3)c2)cc1 521495132 LYLGCSJVCUSFML-UHFFFAOYSA-N 427.435 5.716 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2nc(-c3cccc(O)c3)cs2)c1 521520958 NAYFCFIOGPQPSL-UHFFFAOYSA-N 427.485 5.219 30 20 IKED CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1 522521168 YXLTZKYKRDOPGP-YTTGMZPUSA-N 446.572 5.437 30 20 IKED Cn1ccnc1[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccccc1 522574391 VKNMBGHTSSDKFV-QHCPKHFHSA-N 442.906 5.257 30 20 IKED N#C[C@@H](NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1cccc(Cl)c1Cl 523149378 CTRHYNHDXCYJGQ-MRXNPFEDSA-N 439.224 5.193 30 20 IKED CC[C@@H](C)n1ncc2c(C(=O)[C@@H](C#N)c3nc(-c4ccc(OC)cc4)cs3)cc(C)nc21 523960390 OKFLPVBBPBVQQM-DNVCBOLYSA-N 445.548 5.333 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1C 524147029 NGMDIUNSCQTBEA-UHFFFAOYSA-N 433.471 5.277 30 20 IKED Cc1ccc(-c2nc(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cs2)o1 524455185 JQGGOGXUJKILDX-UHFFFAOYSA-N 447.491 5.483 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(-c3cccc4ccccc34)o2)c1C 525005372 FSFSHKJVNOHPCA-UHFFFAOYSA-N 442.544 5.546 30 20 IKED CC(C)OC1CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CC1 531422085 IGBRYJATHYGXJT-UHFFFAOYSA-N 447.457 5.791 30 20 IKED C=CCCOCCCCC(=O)N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21 537198396 PDDZNXWBACBJHF-UHFFFAOYSA-N 439.531 5.512 30 20 IKED C=CCN(C(=O)c1cc(C)n([C@H](C)C2CC2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 538491992 GCHIDIJHXAFLFY-OAHLLOKOSA-N 437.525 5.027 30 20 IKED O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1c(F)cc(Br)cc1F 541271793 KIIOVXWBAHDKQB-ZDUSSCGKSA-N 430.117 5.039 30 20 IKED CN(C(=O)c1ccccc1Oc1ccccc1C#N)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 542559127 JZVJHTWBYUGBPE-SQJMNOBHSA-N 430.479 5.482 30 20 IKED C[C@@H]1COc2ccccc2CN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 543883490 OHCMJYKCPFNQCL-QGZVFWFLSA-N 431.467 5.091 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 543913706 CKXTZXAFBFROKO-UHFFFAOYSA-N 437.421 5.470 30 20 IKED CN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 544454885 OWSHOABVKCUQSV-AHWVRZQESA-N 444.506 5.269 30 20 IKED COc1ccc(C2(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CCOCC2)cc1 545289600 PCTNAWSOBRCBIG-UHFFFAOYSA-N 428.488 5.046 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@H](c3ccc(Cl)cc3)C3CCCC3)CC2)o1 545986383 BOTIFHIUDCALFV-QFIPXVFZSA-N 440.975 5.114 30 20 IKED CCc1nc2cc(CNC(=O)Nc3ccccc3SC[C@@H](C)C#N)ccc2n1C1CC1 549232111 SEJOFIVONHFCRS-INIZCTEOSA-N 433.581 5.507 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC2(CCOCC2)C1 549320513 AZNNYJMOVPKDIJ-HXUWFJFHSA-N 432.568 5.154 30 20 IKED Cc1ccnc(-c2cccc(NC(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)c2)n1 552987863 GAXOIMMSIRJPMP-UHFFFAOYSA-N 445.954 5.222 30 20 IKED N#Cc1ccc(N2CC[C@H](c3nc(-c4ccccc4OCc4ccccc4)no3)C2)c(F)c1 553519972 RAGOKGSCPDIZTD-FQEVSTJZSA-N 440.478 5.320 30 20 IKED N#CCCN(C(=O)c1ccc(Oc2ccc(Br)cc2)nc1)c1ccc(F)cc1 553946640 YOTXWPJOYOIXFN-UHFFFAOYSA-N 440.272 5.336 30 20 IKED N#Cc1cnc2c(F)c(F)c(F)cc2c1Sc1nnc(-c2cccc3ccccc23)o1 557586558 PDDYPQWJJNGBTO-UHFFFAOYSA-N 434.402 5.878 30 20 IKED COc1cc(C)c(CN(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC 560729753 NJKRUOWMPNZKQQ-UHFFFAOYSA-N 431.492 5.340 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC(C)(C)c1cccc(C(F)(F)F)c1 571708721 LLKRCZGGVQPWAG-HNNXBMFYSA-N 435.515 5.563 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2CC#N)cc1OCc1csc(Br)c1 580738620 UAHSEEKNHXODDK-UHFFFAOYSA-N 441.350 5.716 30 20 IKED CCN(Cc1ccoc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 588346388 PWUVISTUOSQBQZ-UHFFFAOYSA-N 434.443 5.271 30 20 IKED CC(=O)N[C@H](CC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2)c1ccc(Cl)cc1 603992520 XNHXJKDOXOMHTA-HXUWFJFHSA-N 449.963 5.245 30 20 IKED Cc1ccc(C)n1-c1nc(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cs1 604456732 SKCNJGQWHGGIPB-UHFFFAOYSA-N 428.517 5.396 30 20 IKED CC[C@H](Cc1ccccc1)NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 609036605 JCHZYDXAIIGODT-OAQYLSRUSA-N 443.572 5.040 30 20 IKED Cc1ccccc1CN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)C1CC1 609080356 VWJGCOYEXWBAJV-UHFFFAOYSA-N 425.532 5.951 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)cc1 609298271 JSHIWAHUFKLTPN-UHFFFAOYSA-N 449.445 5.452 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Oc2cccnc2)cc1 609378441 MFGYPOJEIKXYQY-UHFFFAOYSA-N 443.450 6.151 30 20 IKED CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1cc(C2CC2)nc(SC)c1C#N 610204771 BLHQTNKBTUDMRQ-UHFFFAOYSA-N 428.561 5.277 30 20 IKED COc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 610334680 KREJAJGSYLWPDZ-IBGZPJMESA-N 433.439 5.144 30 20 IKED C[C@H](NC(=O)N[C@@H](c1cc(F)ccc1F)c1ccccc1Cl)c1cccc(C#N)c1 610357435 MNZJQBYOKCUMOW-RCDICMHDSA-N 425.866 5.640 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1ccc2ccccc2n1 613292324 HODVBTSFRQEKRZ-LJQANCHMSA-N 446.432 5.807 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2nc3ccccc3s2)o1)c1nc(-c2ccccc2)cs1 613392481 QBMAPZPFMDTEOA-HNNXBMFYSA-N 427.510 6.170 30 20 IKED N#C[C@H](C(=O)c1nc(-c2ccccc2)n2c1CCCCC2)c1nc2ccccc2n1C(F)F 613401526 BGXDZMBUXYQNIR-QGZVFWFLSA-N 445.473 5.511 30 20 IKED C=CCn1c(S[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)nnc1-c1cccnc1 613991778 LNASPSOGLWPINH-GOSISDBHSA-N 441.560 5.632 30 20 IKED C=CCn1c(SCC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)nnc1-c1ccco1 614011883 DUBOAYPJSQNOCC-GOSISDBHSA-N 442.560 5.249 30 20 IKED N#CCCCn1cc(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ccccc21 618194635 KEHVFSVZSVBNEC-ZIAGYGMSSA-N 431.380 5.148 30 20 IKED O=C(Nc1ccc(Cl)cc1OCC(F)F)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 672878363 PPBYPSGAVJXJND-IUCAKERBSA-N 440.718 5.188 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2cc(F)c(OC(C)C)c(F)c2)c1C(F)F 680052105 LBFGBXMBDHPTAJ-UHFFFAOYSA-N 427.320 5.177 30 20 IKED N#CCSc1ccccc1C(=O)Nc1nc(C2CC2)c(Cc2ccccc2Cl)s1 726785185 FCFIINOCOAAOLL-UHFFFAOYSA-N 439.993 6.133 30 20 IKED C[C@@H]1C[C@H]1N1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 727681877 NAQAFESSQWBPFW-XWIAVFTESA-N 447.482 5.074 30 20 IKED COc1cc2c(cc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1)oc1ccccc12 728151695 REACIALTGSDGKU-UHFFFAOYSA-N 441.487 5.260 30 20 IKED C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 728412245 SJJZFZIGCVJTOX-YLJYHZDGSA-N 445.469 5.666 30 20 IKED CC(C)[C@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)S(=O)(=O)C1CCCCC1 728466143 PGPITQAUODHWRW-BJKOFHAPSA-N 438.593 5.053 30 20 IKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccco1 730523803 MABZJQCVTXIPTG-NRFANRHFSA-N 433.533 5.003 30 20 IKED C#CCOc1ccc(N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1 731040170 BSQDJSSKQPPDPC-JOCHJYFZSA-N 435.867 5.052 30 20 IKED N#C[C@@H](NC(=O)c1csc(COc2ccc(F)cc2)n1)c1ccc(Cl)c(Cl)c1 731645194 HHLOQGNLWQMECT-MRXNPFEDSA-N 436.295 5.163 30 20 IKED O=C(/C=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(OCC(F)(F)F)cc1 733083430 JFTHEUNUNDWRED-RMKNXTFCSA-N 434.395 5.556 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2sc3cccc(Cl)c3c2Cl)ccc1OC 733228101 HGOPXVITUJTAFO-ZDUSSCGKSA-N 449.359 5.828 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cccc(Sc3ccccc3)c2)ccc1OC 733632650 JROVAECWLDTHEP-FQEVSTJZSA-N 447.560 5.849 30 20 IKED CC(C)OC(=O)NCc1ccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 735172050 SFFPGHYDBKSGCX-XMMPIXPASA-N 442.519 5.621 30 20 IKED C=C(Cl)CNC(=O)N(C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 736397593 BFFSQGNTSYPPQC-UHFFFAOYSA-N 429.351 5.146 30 20 IKED Cc1nc(/C=C/c2nccc3ccccc23)sc1C(=O)/C=C\c1nccc2ccccc12 740764988 MJRAOVFXCKBJLO-PJABCKPXSA-N 433.536 6.614 30 20 IKED O=C(/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1c(Cl)nc2sccn12 741845019 URQAWJMUOFVGOO-DJWKRKHSSA-N 434.260 5.767 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCCOc1cccc(Cl)c1Cl 743443470 RWYWWNICSHYCCV-OAHLLOKOSA-N 429.303 5.534 30 20 IKED CC(=O)CCc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 745312646 AGVDOCGLLPNZOT-HXUWFJFHSA-N 438.936 5.240 30 20 IKED N#CC(CCOC(=O)Cc1ccc(NC(=O)C2CC2)cc1)(c1ccccc1)c1ccccc1 745494499 YPBYZZFMVCXUKS-UHFFFAOYSA-N 438.527 5.021 30 20 IKED CN(Cc1nc(C(F)(F)F)cs1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 746718148 NQULQSKTFWWBSD-KRWDZBQOSA-N 430.455 5.481 30 20 IKED CC[C@H](C)Oc1cc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)ccc1OC 749444666 UXGMWTDUOQYHGW-KRWDZBQOSA-N 446.576 5.379 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 755284282 GBXPZXPQLPTCOG-PKTZIBPZSA-N 448.567 5.057 30 20 IKED CCN(C(=O)Cc1cccc(OCC#N)c1)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 760550682 WYOPDAOCRGEKTB-HXUWFJFHSA-N 428.532 5.417 30 20 IKED N#CCOc1ccc(Cl)cc1COC(=O)c1sc(-c2ccccc2)nc1C(F)F 761618571 GZQMGHFCTJODIO-UHFFFAOYSA-N 434.851 5.660 30 20 IKED CC(C)(C)c1nn(Cc2ccccc2)cc1/C=C/C(=O)c1cccc(N2CCOC2=O)c1 763289177 FPKGVGPQUXYRBY-OUKQBFOZSA-N 429.520 5.082 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(OC(C)(C)C)cc2)cs1 764922359 YGJTZXQMXPTNPM-XNTDXEJSSA-N 434.561 6.210 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@](C)(O)c1ccccc1Cl 765181118 ZPGKVFLHAZPHKK-VWLOTQADSA-N 449.938 5.128 30 20 IKED Cc1cc([C@@H]2NC(=O)N(c3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2=O)ccc1F 771814893 BLZFOSDSQXJSEA-UGKGYDQZSA-N 433.870 5.241 30 20 IKED COc1ccc2nc(Cl)c(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2c1 775479785 BXKZNEWFZHLPMZ-QFIPXVFZSA-N 427.891 5.805 30 20 IKED C[C@@H]1C(=O)CC[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1(C)C 781446952 AKOGJWXDBAUMPL-KCPJHIHWSA-N 435.376 5.935 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl 782581782 QCMHXCKGURAGNQ-AWEZNQCLSA-N 447.800 5.283 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3ccccc3n2CC(F)(F)F)cc1 786313014 NYWPEHXLEMYXHS-LJQANCHMSA-N 441.453 5.507 30 20 IKED CC[C@H](NC(=O)[C@H](C#N)C(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccccc1 787046080 MTCQIKSLIGHJBZ-SJORKVTESA-N 429.501 5.146 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)c1ccc([C@@H]2CCCOC2)cc1)c1ccc(Cl)cc1Cl 787053011 PHQAHOGMNVBSPE-JNAXZKDPSA-N 445.346 5.087 30 20 IKED COc1cccc(COc2cccc(Cl)c2C=NNc2ccc3c(=O)[nH]ccc3c2)c1 789075820 BZGIBRCUKUBYOT-UHFFFAOYSA-N 433.895 5.215 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C\c1cn(C(C)(C)C)nn1 790216959 XLHOMSCCZLNPOK-KTKRTIGZSA-N 431.359 5.124 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 796694618 XHYZMIDZESRGOQ-INIZCTEOSA-N 425.485 5.581 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 797649862 WCXAWYBOMYDRNK-JOCHJYFZSA-N 449.595 5.709 30 20 IKED Cc1ccc(C(=O)Nc2ccc(N(C)C(=O)c3ccc(C)c(C#N)c3)c(Cl)c2)cc1C#N 799342641 VYMQKDMPJVRBEN-UHFFFAOYSA-N 442.906 5.229 30 20 IKED Sc1nnc([C@H]2CCCCO2)n1N=Cc1ccc(-c2ccccc2Br)cc1 800814022 OIZOPYLOJKPCJW-GOSISDBHSA-N 443.370 5.120 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cccc(C)c1NC(=O)c1ccccc1F 804560225 WXYSFVYNQBGTDA-UHFFFAOYSA-N 448.542 5.382 30 20 IKED N#C[C@H](C(=O)[C@H]1CCN(c2ccccc2Cl)C1)c1nc2cc(C(F)(F)F)ccc2s1 810535658 GMAFYSYUCQIPLQ-GXTWGEPZSA-N 449.885 5.671 30 20 IKED N#C[C@H](C(=O)[C@H](c1c(F)cccc1Cl)N1CCCCC1)c1cc(C(F)(F)F)ccn1 813215253 VEECXECQIBRSPR-LIRRHRJNSA-N 439.840 5.296 30 20 IKED Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccc(N(C)CCC#N)cc2)SC1=S 814276637 DFVSUNCGJAKGHD-CPNJWEJPSA-N 427.982 5.404 30 20 IKED Clc1ccc(CNN=Cc2sc(N3CCOCC3)nc2-c2ccccc2)c(Cl)c1 914696868 SFRDKLFJQUHPJM-UHFFFAOYSA-N 447.391 5.077 30 20 IKED N#C[C@H](C(=O)CCc1nc(-c2ccsc2)no1)c1nc(-c2ccc(Cl)cc2)cs1 915102410 YHGYPCRAFPMFCX-OAHLLOKOSA-N 440.937 5.384 30 20 IKED Fc1ccccc1-c1nnc(S)n1N=Cc1sc(Oc2ccccc2)nc1Cl 915946537 MKAZBHMPMJGFCQ-UHFFFAOYSA-N 431.905 5.157 30 20 IKED CC[C@H](C)NC(=O)c1cccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 916477225 TYWCAAOCBBOTFP-UQBPGWFLSA-N 440.547 5.192 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCCOc1ccc(Cl)cc1Cl 916904262 ZKGAJRAMPBOBMA-SFHVURJKSA-N 447.362 5.625 30 20 IKED N#C[C@H](C(=O)CCCOc1ccccc1Br)c1nc(-c2ccccc2)cs1 917026581 IITOPWUOIAKEOV-MRXNPFEDSA-N 441.350 5.608 30 20 IKED COc1ccc(CCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1Cl 917043463 KQSQWABXXBZZNS-CYBMUJFWSA-N 438.858 5.786 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1)c1ccc(C#N)cc1 918269274 KEQKQDIRWLBIFQ-CQSZACIVSA-N 438.314 5.348 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(N3CCCCC3=O)cc2)cc1 919773288 AYJKPVHJALFLQN-VWLOTQADSA-N 438.531 5.181 30 20 IKED COc1ccc(OCc2nc(/C=C\C(=O)c3cc(Cl)c(OC)cc3OC)cs2)cc1 920064872 MYSWIIAXXXWMLO-WTKPLQERSA-N 445.924 5.297 30 20 IKED Cc1ccc(-c2cc(C(=O)Nc3ccc(C4(NC(=O)[C@H](C)S)CCC4)cc3)c[nH]2)cc1 1787031020 WOHOUHLSGKQAKF-KRWDZBQOSA-N 433.577 5.056 30 20 IKED Cc1ccncc1C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1788819687 CHPMNTZKCUROMB-UHFFFAOYSA-N 447.655 5.189 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(CCC)cc2)[C@H]1c1cccnc1 1812026575 MNWOXMUQZNGQSO-IZZNHLLZSA-N 445.607 5.122 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)c2ccc(C)cc2)[C@@H]1c1cccnc1 1812755031 FFKPCTYHUQAEAG-GPUOULLFSA-N 447.623 5.192 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c(C(C)(C)C)c2)n[nH]1 1816109920 BVDPPFRDOLSYFM-ICSRJNTNSA-N 437.588 5.110 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2scnc2C2CC2)[nH]n1 1819553401 FNRZIFZEHZJIJA-QGZVFWFLSA-N 441.601 5.042 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@]2(F)CCCC=C2F)CC1 1828830352 UHWWUYDQXCBSDY-OTPAQWSUSA-N 434.571 5.120 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)c(OC)c2)CC1 1829068783 QEXGHRTWTJYPSF-QHCPKHFHSA-N 440.628 5.229 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](c2ccccc2)C(C)C)CC1 1832024936 LHGYVUCZESBNGI-AHKZPQOWSA-N 436.640 5.240 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCCSc2ccc(F)cc2)cc1 15497469 QQSWHQIAJMTXAF-UHFFFAOYSA-N 436.577 5.902 30 20 IKED C[C@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)Nc1ccc(C#N)c(Cl)c1 15812577 RZARXODJEGJVBB-JTQLQIEISA-N 433.921 5.065 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc(C(C)(C)C)cc2)c(C)[nH]1 23604516 TTXSNTYJAWBBEH-UHFFFAOYSA-O 438.592 5.715 30 20 IKED Cc1ccc(-c2csc3ncn(CCC(=O)Nc4sc(C)c(C)c4C#N)c(=O)c23)cc1 24464493 RFXLVEDEVFQTSW-UHFFFAOYSA-N 448.573 5.012 30 20 IKED C=CCn1c(-c2ccco2)nn(CN2CCC[C@@H](c3nc4ccccc4s3)C2)c1=S 28791328 HBKDJKLXBVGOAE-MRXNPFEDSA-N 437.594 5.307 30 20 IKED Cc1nc(Cc2ccccc2)sc1/C(O)=N/c1nc(CN2CCC[C@@H](C)C2)cs1 30556007 ZAUOUDQBBGVEHO-OAHLLOKOSA-N 426.611 5.367 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)c1ccccc1SCc1cscn1 39555238 MPIMFJICAMEUBN-UHFFFAOYSA-N 432.595 6.149 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 60030480 DQGZJNLDHGORKX-SFHVURJKSA-N 431.536 5.105 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1 62407382 JBYSKYJVYYSCOS-UHFFFAOYSA-N 446.551 5.043 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2oc3ccccc3c2C)cs1)c1ccc(F)cc1F 71807915 OHEBYGRNYWIBPW-CSKARUKUSA-N 438.455 6.057 30 20 IKED CCOc1cc2c(cc1NC(=O)c1cccc(OCc3ccccc3C#N)c1)O[C@H](C)C2 72020868 LBBHUAVHHRLHEW-QGZVFWFLSA-N 428.488 5.112 30 20 IKED COc1cc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cccnc2)ccc1SC 212271548 PGPHLGXQRHOYFJ-BENRWUELSA-N 427.529 5.561 30 20 IKED CCn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nnc1-c1cccc(Cl)c1 255928127 HXAXZTVXAJWUJP-UHFFFAOYSA-N 449.967 5.462 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 255943149 GUTASEAWGIKGLX-UHFFFAOYSA-N 444.890 6.358 30 20 IKED Cc1[nH]c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nc1Cc1ccccc1 303343987 ZDGZLTSTTYKDFO-MRXNPFEDSA-N 436.606 5.292 30 20 IKED N#C[C@H](C(=O)c1ccc(Sc2ccccc2Cl)nn1)c1nc(-c2ccccc2)cs1 426180000 WGIDCCLWCFQWER-OAHLLOKOSA-N 448.960 5.895 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ccc(Cl)cc1OCC(F)(F)F)c1ccccc1 433140406 HCELYGBCYQNHGH-MRXNPFEDSA-N 425.838 5.838 30 20 IKED Cc1cc(CNCc2cn(CCC#N)nc2-c2ccncc2)ccc1Oc1ccc(F)cc1 433319246 QKDSSPDKPGGGNO-UHFFFAOYSA-N 441.510 5.388 30 20 IKED Cc1c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cnn1-c1ccccc1F 435372161 IYAWKBAYCVFPBW-UHFFFAOYSA-N 426.451 5.023 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437265211 AMJRDTSFCAIBJT-UHFFFAOYSA-N 442.353 5.233 30 20 IKED CCCNC(=O)Nc1ccc(CC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 437496209 PVDXELDMZHHAOA-UHFFFAOYSA-N 446.482 5.202 30 20 IKED N#Cc1ccc(NC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1C(F)(F)F 438655118 XMCWHXGCLRTTFO-KRWDZBQOSA-N 444.240 5.489 30 20 IKED C=CCn1c(=O)c2ccccc2n2c(S[C@@H](C)c3ccc4cc(OC)ccc4c3)nnc12 439278711 XLISHMHNRZLJLP-INIZCTEOSA-N 442.544 5.245 30 20 IKED COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2C#N)c(F)c1 439677121 WGQDCABFRXFJKL-IAGOWNOFSA-N 433.483 5.176 30 20 IKED N#CCSc1ccccc1NC(=O)CN1CCCC[C@H]1c1ccccc1C(F)(F)F 439801906 SDOGJTBMYRBOJY-IBGZPJMESA-N 433.499 5.487 30 20 IKED C=C(C)Cn1c(SCC(=O)N(CC)c2ccc(Cl)c(F)c2)nnc1-c1ccco1 441402752 JSQFKPWCWDSUBC-UHFFFAOYSA-N 434.924 5.052 30 20 IKED C=CCC[C@H](NC(=O)N(Cc1ccc(C(N)=O)cc1)C1CC1)c1ccc(C(F)(F)F)cc1 441499521 LLXVFJBPUYOTFS-NRFANRHFSA-N 445.485 5.186 30 20 IKED CC1(C)CC(C)(C)c2cc(NC(=O)C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)ccc21 442245758 XAARENUSPXAXIX-UHFFFAOYSA-N 444.560 5.218 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(-c4noc(C5CC5)n4)c3)n2)cc1 442855399 BPYRSEYNISKTIV-IBGZPJMESA-N 442.500 5.236 30 20 IKED Cc1c(NC(=O)c2cn(CCCC#N)c3ccccc23)cccc1C(=O)Nc1ccccc1 444140309 HOAGLYUMLZTDHH-UHFFFAOYSA-N 436.515 5.758 30 20 IKED N#CCCCn1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c2ccccc21 444181426 JORGDCXLURPABQ-UHFFFAOYSA-N 428.517 5.256 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)Nc2cc(C)n(CCC#N)n2)c(C(F)(F)F)c1 446224689 HLGCUUGPNYPPLR-CYBMUJFWSA-N 425.480 5.659 30 20 IKED CC(C)c1ccc([C@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC2)cc1 461589484 AFURPROIGNLXPE-PXDATVDWSA-N 441.579 5.318 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2C(F)(F)F)on1 462194664 SKMOFKCXVLBYAS-XLIONFOSSA-N 425.410 5.272 30 20 IKED C[C@@H](C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1)c1cccc(C#N)c1 462258481 PVRPZOWTFHQCBH-OAHLLOKOSA-N 428.879 5.689 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(c3noc(C4CC4)n3)CC2)cc1F 462685385 WMQGXQAACPTGQN-UHFFFAOYSA-N 447.470 5.162 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](c2ccccc2F)c2nccn2C)cc1 464863468 TVWQAIVKWWMNDK-DEOSSOPVSA-N 440.478 5.051 30 20 IKED Cc1cccc(O[C@@H](C)CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 466229973 LJPVSQIPDPCVIT-FQEVSTJZSA-N 429.520 5.229 30 20 IKED COc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(Oc3ccc(C#N)cc3OC)cc1)CCO2 467157675 IXMKZBSSQPGTPE-NRFANRHFSA-N 445.475 5.013 30 20 IKED CC(C)c1ccc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1Cl 467276286 ZYLXGESESSRCMA-OAHLLOKOSA-N 425.941 5.543 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cc2c(cc1OC)CCC(=O)N2)c1ccc(C(F)(F)F)cc1 467292859 FHTWJGHNPIWLIU-QGZVFWFLSA-N 447.457 5.428 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 469676848 ISNBIMNXHBDOSS-JXFKEZNVSA-N 447.526 6.859 30 20 IKED COC(=O)c1ccc([C@H](NC(=O)Nc2ccc(F)cc2C(F)(F)F)C(F)(F)F)cc1 480616701 UMCZPYWIGGCOBG-AWEZNQCLSA-N 438.299 5.056 30 20 IKED CCc1c(NC(=O)c2cc(F)c(F)c(F)c2F)cnn1-c1ccc(C(F)(F)F)cc1 481865172 LPAPGHGPPHJERB-UHFFFAOYSA-N 431.311 5.262 30 20 IKED Cc1ccc(O[C@@H](C)C(=O)N(Cc2ccco2)c2ccccc2C#N)c(Br)c1 482180113 JYXCNRBMAIIEGH-INIZCTEOSA-N 439.309 5.223 30 20 IKED Cn1cc([C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C(C)(C)C)cn1 483473726 USINJRVFCCHWPV-RBBKRZOGSA-N 435.959 5.638 30 20 IKED COC(=O)C[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(SC)cc1 484320084 UGSBTHOMWPDPKK-HSZRJFAPSA-N 446.528 5.107 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCOc3cc(Cl)c(Cl)cc32)c1 484633942 BEMCWQPAVLYBTO-UHFFFAOYSA-N 429.259 5.076 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CSc2ccc(Br)cc21 488312589 VHIJCKHZDCBRRL-BLLLJJGKSA-N 448.411 5.669 30 20 IKED N#Cc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2cccc3ccccc23)c(Cl)c1 490484800 LKVQBOKCUCDLIW-XMMPIXPASA-N 439.902 5.209 30 20 IKED Cc1cc(-c2cc(C(=O)N(CC#N)c3ccccc3)c3cnn(C(C)C)c3n2)c(C)s1 497355509 XRLPXWYVPHEWBI-UHFFFAOYSA-N 429.549 5.528 30 20 IKED CCN(C(=O)CCCCOc1cccc(C#N)c1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 497885376 TZZACXQMHUEFGG-HHHXNRCGSA-N 445.538 5.588 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3coc(-c4ccc(F)cc4)n3)cc2F)c1 499566836 ZHYLRWVIPWGTKX-UHFFFAOYSA-N 445.425 5.252 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnc2onc(C(C)C)c2c1 500113914 POMKFKDDQDHFNN-UHFFFAOYSA-N 432.293 5.076 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc([C@@H]3CCCOC3)cc2)cc1 504086381 CGAKRSGIIYIFAW-HSZRJFAPSA-N 426.516 5.478 30 20 IKED CCN(C[C@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)CC2 509722996 CCUSFWZMYFSMLT-KETZHDHUSA-N 425.532 5.352 30 20 IKED N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1ncc(C(F)(F)F)cc1Cl 510219146 YREYXHZUXJTPSG-UHFFFAOYSA-N 448.857 5.418 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 510675248 OQYOAHQBYAJYPE-QFIPXVFZSA-N 441.487 5.491 30 20 IKED Cc1ccc(C)n1-c1nc(CC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cs1 517508999 VKOOLPISGYJTRY-UHFFFAOYSA-N 428.517 5.396 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 518140021 NLMANPLKUMZOLV-AWEZNQCLSA-N 427.476 5.443 30 20 IKED C=CCOc1c(Br)cc(CNCc2c(OC)ccc3ccccc23)cc1OC 518767452 CASSTGOBWXTMTF-UHFFFAOYSA-N 442.353 5.474 30 20 IKED Cc1nccn1-c1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 519729304 DLXPOFZHPPAUNO-KRWDZBQOSA-N 438.491 5.122 30 20 IKED Cc1nc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)sc1C(F)(F)F 520492872 FFVNADWBFGEOHY-UHFFFAOYSA-N 438.328 5.066 30 20 IKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 520560415 OOXSKGOOVDPHFH-SFHVURJKSA-N 445.544 5.358 30 20 IKED Cc1c(CNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)oc2ccccc12 522433274 QMFPKENYLKTSCX-UHFFFAOYSA-N 435.534 5.078 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)nc(-c2ccc(Cl)cc2)n1 534698086 XGEVQWMCERYWCV-KRWDZBQOSA-N 431.908 5.114 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CCO[C@@H]3c3ccc(F)c(F)c3)cc2)c1 540556040 YEXWMPRRMBGVQB-DHIUTWEWSA-N 435.430 5.280 30 20 IKED C[C@@H]1C[C@H](c2cccnc2)N(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 543565253 YEWGAWIFVUKXDA-OUPRXKBMSA-N 430.939 6.005 30 20 IKED C[C@H](Cc1cnc2ccccc2n1)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 549469127 SBUAEFRTPTYEOK-LJQANCHMSA-N 438.506 5.048 30 20 IKED C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 549639401 LIFYLAFZCIGDPT-QGZVFWFLSA-N 426.952 5.065 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(-c3cccc4cccnc34)cc2)n1 552063465 AAWJYKDICQWXAW-LJQANCHMSA-N 427.485 5.025 30 20 IKED Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N1CCC(C#N)(c2ccccn2)CC1 554542494 AMYYUDKWXMEXBH-UHFFFAOYSA-N 441.318 5.049 30 20 IKED N#Cc1cc(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)cnc1C(F)(F)F 555135788 LZDAHIOBAACTSE-UHFFFAOYSA-N 438.434 5.425 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1csc(C(F)(F)F)n1 556405495 AXBJTBZLJPRPAD-UHFFFAOYSA-N 425.379 5.439 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C 558759222 XCTLKLYRBJVQPR-AUSIDOKSSA-N 436.625 5.503 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 561037542 DWNYWQLPJHCUPT-LJQANCHMSA-N 443.469 5.092 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NCc3ccc(Oc4ccccc4)nc3)cc2)ccn1 571694235 GTNVDABGODMQLQ-UHFFFAOYSA-N 437.459 5.255 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CC=C(c4cccc5ccccc45)C3)cc2)ccn1 574370129 WAVVAKJZDWUHGL-UHFFFAOYSA-N 432.483 5.830 30 20 IKED N#Cc1cccc(-c2cc(C(=O)N3CCC(c4nc5cc(Cl)ccc5o4)CC3)on2)c1 577575864 SGTMAMGYBYNQSQ-UHFFFAOYSA-N 432.867 5.028 30 20 IKED CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)N1CCC(C#N)(c2ccccn2)CC1 578339918 WIVJTLODIBYRIE-UHFFFAOYSA-N 444.501 5.034 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2csc(-c3ccccc3Cl)n2)cc1 589323395 AVFSJPZVBCDEGI-UHFFFAOYSA-N 437.952 5.530 30 20 IKED C=CCc1cc(CN[C@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)cc(OC)c1O 603513982 RWBYRGVNXAUOPP-FQEVSTJZSA-N 436.577 5.429 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CCc3ncc(-c4ccccc4F)o3)cn2)c1 603623347 HYMROOQUQZZWDA-UHFFFAOYSA-N 428.423 5.111 30 20 IKED CC(C)n1ncc2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cnc21 603673375 NBSNBLPJIKXWEC-OAQYLSRUSA-N 429.911 5.573 30 20 IKED N#C[C@@H](C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1nc2ccccc2n1C(F)F 603846077 ZXFGQAMZKZYLNH-INIZCTEOSA-N 447.401 5.573 30 20 IKED COc1ccc(S[C@H](C)C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1 603958106 ABUDPHAOXUHVBE-GOSISDBHSA-N 434.536 5.728 30 20 IKED N#C[C@H](Cc1ccccc1)Sc1nnc(COc2ccccc2Cl)n1-c1ccccc1 604039754 MNDDNNCXDZEMMS-FQEVSTJZSA-N 446.963 5.727 30 20 IKED COc1cc(C(=O)Nc2cccc(C#Cc3cccs3)c2)cc(OC)c1OC(F)F 608107314 YWBOWCZJWIFCBO-UHFFFAOYSA-N 429.444 5.019 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3sccc3C3CC3)s2)c(C(F)(F)F)c1 609201223 UEFZDVCFUIHOQW-UHFFFAOYSA-N 433.480 5.816 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccn(-c2cccc(F)c2)n1 609389685 YMQUDKLKUKGFAN-INIZCTEOSA-N 440.569 5.278 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H](c4nc5ccccc5o4)C3)cc2)c1 609434399 DPASEAXZTGVBBH-LJQANCHMSA-N 438.487 5.903 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 609556576 XVZZMZJBQCEWJK-JOCHJYFZSA-N 445.950 6.121 30 20 IKED CCOCCOc1c(Cl)cccc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 609987611 UDXNSGDSVPXIJZ-UHFFFAOYSA-N 435.911 5.623 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2CN2CCOCC2)cc1Cl 610111222 WVURZFONQHMKHE-DEOSSOPVSA-N 445.950 5.080 30 20 IKED COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)N[C@H](C)c1cccc(C#N)c1 610408129 JWFJWGLMVOSOES-NHCUHLMSSA-N 427.548 5.471 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2c(F)c(F)cc(F)c2F)cc1 610647489 UOQXFHGIBLLVEW-UHFFFAOYSA-N 445.391 5.166 30 20 IKED Cc1ccc(CNC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(N2CCCC2)n1 611809838 DHOOPBYOSCYCEC-FQEVSTJZSA-N 439.563 5.089 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(C)nn(Cc4ccccc4)c3C)n2)cc1 613314261 HLSTULSEHWBZMQ-NRFANRHFSA-N 426.545 5.470 30 20 IKED Cc1ccn(-c2ccc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2)n1 613404260 KIXRTQRLDXIREJ-MRXNPFEDSA-N 426.423 5.299 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 619020806 CPIIUUDYNZGNML-SFHVURJKSA-N 440.290 5.256 30 20 IKED N#Cc1ccc2c(c1)CCC[C@H]2N[C@H](CO)c1ccc(Br)cc1C(F)(F)F 619466124 UJHVPILVBQRLML-RTBURBONSA-N 439.275 5.040 30 20 IKED COc1cc2c(cc1F)CC[C@@H]2NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 619787340 CIWVUPNCGKNGOV-DEOSSOPVSA-N 445.494 5.288 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2ccccc2C)nnc1-c1ccc(Cl)cc1 642054244 YQMWPGAFPQCNMK-KRWDZBQOSA-N 441.000 5.405 30 20 IKED O=C(COc1cccc(C(F)(F)F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642158312 SYXLPAAVXSOTRL-GHMZBOCLSA-N 437.302 5.110 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(Cl)c(F)cc1Cl 645071288 OVQOPTVGSSYMRS-JIGDXULJSA-N 426.159 5.772 30 20 IKED CO[C@@H](C)c1nc(C)c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1 674299599 QDDSSYJQRPUTJL-GXSJLCMTSA-N 425.457 5.278 30 20 IKED C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 675179056 ZXLVRJJKZTZTOQ-VWYCJHECSA-N 444.366 5.503 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC(=O)Nc2cccc3ccccc23)cc1 726075035 ZHXDEEMCXZXVQQ-XMMPIXPASA-N 434.499 5.255 30 20 IKED COc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(C)c2)cc1 726571461 KKZQLPAWKMTONH-UHFFFAOYSA-O 436.944 5.140 30 20 IKED C[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 728472563 DSHHJTZIOLEOQB-RXVVDRJESA-N 449.551 5.116 30 20 IKED C[C@H](OC(=O)c1cc2ccccc2n1CC#N)C(=O)Nc1ccc(Oc2ccccc2)cc1 729770086 ZZPNSUYABYCQLQ-SFHVURJKSA-N 439.471 5.141 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3nc4cc(Cl)ccc4s3)n2)cc1 730691794 MYXVKLUQCZZUMH-MRXNPFEDSA-N 448.960 5.754 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CSc3c(Cl)cccc3C2=O)cs1 731939379 OJWCQZMWDUOJQL-GDNBJRDFSA-N 440.977 6.162 30 20 IKED Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1 731957858 BARLHXONFFWMIU-UHFFFAOYSA-N 448.482 5.559 30 20 IKED N#CCOc1ccc(CC(=O)N2CCC(CCc3cccc(C(F)(F)F)c3)CC2)cc1 731976192 MQUGVQZLFMHVFE-UHFFFAOYSA-N 430.470 5.022 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-n3nc(C)cc3C)c(F)c2)cc1 732708206 NYNLHLGGDKWNSL-YCRPNKLZSA-N 432.499 5.103 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)ccc1OC 733656959 RCODSMKZZSUONX-REWPJTCUSA-N 446.551 5.294 30 20 IKED CCC(=O)N1CCCC[C@@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 733680262 XYPMUIQEVGNFOT-RHSMWYFYSA-N 436.364 5.084 30 20 IKED O=C1/C(=C\c2nccn2Cc2ccccc2)CCC/C1=C\c1nccn1Cc1ccccc1 734095621 DLSGHNFDWVFQBV-ZFQRDYFNSA-N 434.543 5.396 30 20 IKED C=CCNC(=O)Nc1ccc(NCc2c(C)nn(-c3cccc(Cl)c3)c2Cl)cc1 734157361 KOZNWNWGZPEVOI-UHFFFAOYSA-N 430.339 5.407 30 20 IKED Cc1ccccc1COc1c(C)cc(CNC2CCN(c3ccc(C#N)cn3)CC2)cc1C 734841243 IHYJZYXCEMODSB-UHFFFAOYSA-N 440.591 5.216 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccccc3O)C3CCCCC3)cn2)cc1 743098189 OZTGDZJLJDPDSA-UHFFFAOYSA-N 442.519 5.818 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCC[C@@H]3C[C@@H](O)c3cccs3)c2)s1 751097914 RSDVBBRLQPISKF-UYAOXDASSA-N 437.590 5.146 30 20 IKED C#CC[C@@H](NC(=O)Cc1csc(-c2cc(Br)cs2)n1)c1ccccc1 757620723 CVCJKWSOGKPYFQ-MRXNPFEDSA-N 431.380 5.057 30 20 IKED CC(C)(C#N)CCCCOC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 768607828 KJIKTIZWKMPBGO-UHFFFAOYSA-N 433.302 5.171 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cc1Cl 770075519 UUMVGQMEDOOROQ-INIZCTEOSA-N 427.794 5.434 30 20 IKED N#CCCn1cc(CN2CCCCC[C@@H]2C[C@@H](O)c2cccs2)c(-c2ccccc2)n1 770297269 YRYIRBIIIJRTJF-DHIUTWEWSA-N 434.609 5.394 30 20 IKED COc1ccccc1-c1ccc([C@H](C)NCC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)cc1 775457456 HIOPAOBJFYOABP-FDDCHVKYSA-N 448.526 5.250 30 20 IKED Cc1ccc(N(C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1Br 775957345 STNOUNFMGLKQHI-UHFFFAOYSA-N 425.282 5.078 30 20 IKED COc1cccc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)O[C@H](C)C#N)c1OC 776019612 OACSSRBKENZVHH-AZUQGFLWSA-N 442.515 5.444 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)Nc2ccccc2O[C@H](C)C#N)cc1 780670759 NUUWXKRUHPETFD-RTBURBONSA-N 429.520 5.878 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 780680480 FCGZNLJNJGQMCB-OAQYLSRUSA-N 432.568 5.030 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccnc(Oc3ccc(F)cc3F)c2)cc1 789405587 YUDOEUVZNXLTMK-MGPUTAFESA-N 449.457 5.627 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 789720141 UZSYEOUQIGSCPB-UHFFFAOYSA-N 443.572 5.616 30 20 IKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccsc3)N([C@H]3CCC(F)(F)C3)C2=O)cc1 790741237 HKRROKOLROOZHB-IRXDYDNUSA-N 449.548 5.205 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(COC(=O)C[C@@H](CC#N)c2ccccc2)cs1 795993867 VLDTZIHWNPHWNO-HXUWFJFHSA-N 433.533 5.267 30 20 IKED Cn1cc2c(n1)CCC[C@@H]2C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 798816405 KHQYJMKKIMSDKJ-GXTWGEPZSA-N 431.348 5.147 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN2CCC(F)(c3ccc(Cl)cc3)CC2)c1=S 799145775 LCKGBZKDCUGXBH-UHFFFAOYSA-N 443.979 5.234 30 20 IKED CC(=O)c1oc2cc(C)ccc2c1CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 805856519 XECKSYNCQVALDN-MRXNPFEDSA-N 443.286 5.141 30 20 IKED CC(C)[C@](C)(Cc1ccc(Cl)cc1)NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 815202854 ZFGLSILFSAXRJE-CPJSRVTESA-N 432.955 5.124 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1OC 819272700 DJYLABQKCAQYOR-FYWRMAATSA-N 443.503 5.556 30 20 IKED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl 914964052 ROSVRQBEQGCHHS-MLCYQJTMSA-N 446.878 5.173 30 20 IKED CCN1CCc2nc3ccccc3c(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c2C1 915180970 UMJRFTCXXHAIAI-DEOSSOPVSA-N 446.554 5.521 30 20 IKED COCCOc1ccc(C(C)=NNc2ncnc3scc(-c4ccc(F)cc4)c23)cc1 915954386 DDMZGWTWWKCKGM-UHFFFAOYSA-N 436.512 5.359 30 20 IKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(C2CC2)C1=O)Nc1cccc2ccccc12 916205207 IMGMAWKYDGCFJD-OAQYLSRUSA-N 433.508 5.102 30 20 IKED N#C[C@@H](C(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1ccc2ccccc2n1 916848571 DOCWPFRFHBCRJE-OAQYLSRUSA-N 432.483 5.040 30 20 IKED CC(C)(C)c1ccc(OCc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3)cc2)cc1 916899098 LMWOFOBWLSTKAL-DEOSSOPVSA-N 426.516 5.524 30 20 IKED N#C[C@H](C(=O)C1(c2cccc(Cl)c2)CCOCC1)c1nc2ccccc2n1C(F)F 920113295 URBADSVJCPOVHI-MRXNPFEDSA-N 429.854 5.009 30 20 IKED CCN(Cc1ccc2ccccc2c1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 920203695 JDABXXIDPUCRLW-MHZLTWQESA-N 447.538 5.482 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)CCC1 1785784803 IJDKDZVTEFUARX-GOSISDBHSA-N 429.520 5.302 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccn4cncc4c3)cc2)CCC1 1789346795 VHLNFAQXMIZGSD-UHFFFAOYSA-N 430.552 5.074 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ccoc45)CCC3)cc2)cc1 1790290405 MLMXHJXCRADSTR-UHFFFAOYSA-N 435.483 5.366 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)ccc3Cl)CCC2)cc1 1790567717 OYJHZGMRBLJKGQ-HNNXBMFYSA-N 445.922 5.028 30 20 IKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)c(F)c(Cl)c3)cc2)CCC1 1790774203 BKMBZPMFFVHDNX-UHFFFAOYSA-N 434.298 5.184 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3ccc4scnc4c3)CCC2)cc1)C(F)(F)F 1791303220 RFOOSHMPPDTDSM-UHFFFAOYSA-N 445.466 5.163 30 20 IKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)ccc4s3)CCC2)cc1 1791574871 GBUZQOXZIXCLJW-ZDUSSCGKSA-N 428.554 5.106 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c(-c2ccc(C)cc2)c1 1794589465 XSJXOHBQZWRVEO-UEQSERJNSA-N 431.580 5.010 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CC2CCC(C)(C)CC2)C3)c1 1803685321 SRUUNXUHMBEAKA-ABQRKTDGSA-N 435.612 5.172 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccsc3[nH]2)[nH]n1 1819309094 MKFHMRRTWJVXDC-LPHOPBHVSA-N 437.569 5.027 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ccncc23)CC1 1824143053 DUYQLEHJAANPCL-AREMUKBSSA-N 445.607 5.237 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)c(OC)c2)CC1 1824144101 ZTVVPFKWTZZLHP-XMMPIXPASA-N 438.612 5.005 30 20 IKED Cc1csc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1824681377 HOTLXXOKHHFUIL-WMZHIEFXSA-N 449.620 5.231 30 20 IKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)o2)CC1)c1ccccc1 1824687037 RTIVJANFOZXCMW-LOSJGSFVSA-N 446.591 5.019 30 20 IKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCCC(C)(C)C)CC1 1828889409 QJYNXPKIPCJCJQ-DHIUTWEWSA-N 448.692 5.176 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2OCC)CC1 1829925552 QWTZBMHRZZOAPN-VWNXMTODSA-N 438.612 5.087 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(C)cc2F)CC1 1832623378 OCWITKKQCNBUGK-GBXCKJPGSA-N 444.566 5.275 30 20 IKED CCc1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2cccc(C)c2C)cc1 10167766 KFVFZHWZOQNMDH-UHFFFAOYSA-O 434.541 5.112 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)ccc1C)=C(/S)Nc1ccc(F)c(Cl)c1 10760637 IEYXERBLCYZQIA-UHFFFAOYSA-O 441.979 5.997 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(C)ccc2C)nnc1-c1ccc(Cl)cc1 16862731 RTKZHKGAHLBQAH-MRXNPFEDSA-N 426.973 5.521 30 20 IKED N#Cc1ccsc1NC(=O)COC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 18802346 INLRZQASFWTYCL-UHFFFAOYSA-N 445.525 5.206 30 20 IKED C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)COc1ccc(C#N)cc1Cl 27261783 AAPDIQKUCOFFSZ-QGZVFWFLSA-N 447.922 5.062 30 20 IKED N#Cc1ccc(CN2CCCN(C(=O)c3sc4cccc(Cl)c4c3Cl)CC2)cc1 28503100 OYPRFTDQSZYSJY-UHFFFAOYSA-N 444.387 5.428 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1OC 57356085 MCUGZRCEBQNKDI-FYWRMAATSA-N 425.488 5.455 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 72086222 NCRBQIYJIQJJBO-UHFFFAOYSA-N 447.882 5.116 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1csc(-c2ccco2)n1 97039143 PUCVLRZNWUVJSS-UHFFFAOYSA-N 444.969 5.705 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C(O)=N/c1nc(-c2ccccc2Cl)n[nH]1 97576501 HXTFSJVKYSLAKB-UHFFFAOYSA-N 445.285 5.107 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccco2)C1=O)Nc1cccc(Cl)c1 254814055 VUACMHXARXTOTL-IBGZPJMESA-N 439.924 5.094 30 20 IKED COc1ccc(-c2nnc(S[C@H](C#N)Cc3ccc(C)cc3)n2Cc2ccco2)cc1 302109409 PQEVAWUAMCULMZ-QFIPXVFZSA-N 430.533 5.130 30 20 IKED Cc1nc(C)n(Cc2cccc(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)c2)n1 427187985 VHZDAMZOKKWICH-UHFFFAOYSA-N 439.544 5.218 30 20 IKED CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 429103788 MMFSTVMQPLSOSF-YZYRRMFMSA-N 444.000 5.197 30 20 IKED COc1ccccc1-c1noc(C2CCN(c3nc4c(cc3C#N)CCCC4(C)C)CC2)n1 432855915 UQTJBJHRFVBJOG-UHFFFAOYSA-N 443.551 5.010 30 20 IKED Cc1cc(S(C)(=O)=O)cc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C 435083629 FJTCUAWLXNRLAL-GOSISDBHSA-N 447.560 5.128 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](Cc3ccc(Cl)cc3F)C(C)=O)o2)cc1 436211874 SRCQUMDSCRUUIY-LJQANCHMSA-N 432.904 5.386 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](CSc4ccccc4)C3)cc2)cc1 438227526 PIBCHUNPTMOUHJ-FQEVSTJZSA-N 429.545 5.997 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCCc2ccn(-c3ccccc3)n2)cc1F 438658854 XAWIWOJWSHRHQC-UHFFFAOYSA-N 441.466 5.040 30 20 IKED C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)c2)C1 438715452 GIYHZFYHPFJCCW-WZONZLPQSA-N 433.552 5.160 30 20 IKED CCOc1c(F)cccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 439013130 UZCMFPOPVBHJPQ-UHFFFAOYSA-N 449.429 5.414 30 20 IKED CN(CCCCCc1cc(-c2ccccc2)no1)Cc1nnc(-c2ccc(C#N)cc2)o1 441532461 FOJQYVSNEPYEGY-UHFFFAOYSA-N 427.508 5.108 30 20 IKED CC(C)=CCOc1cccc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1 442613101 VQEGNRVYPRTGOA-GOSISDBHSA-N 433.533 5.111 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 443135268 VTEJSDUZIXAUHL-DYESRHJHSA-N 435.593 5.239 30 20 IKED C=C[C@H](Cc1nc(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)no1)c1ccccc1 445756753 CTMBFUVKBCUADX-LSDHHAIUSA-N 430.335 5.309 30 20 IKED CCN(CC)C(=O)c1ccc(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)cc1 460338640 KBGJHXVUXUPXIT-UHFFFAOYSA-N 445.950 5.541 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@@H]3CCO[C@@H]3c3ccccc3)c2)cc1 466074644 VLSODEUDHZUEBW-JYFHCDHNSA-N 441.531 5.231 30 20 IKED C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 473642680 PYMCKSJZQYCKLZ-AUMHUTNHSA-N 433.533 5.313 30 20 IKED COCC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1ccc(C)o1 477450136 STIQYLUSBHNTKE-HXUWFJFHSA-N 435.480 5.160 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cccc(Oc3ccc(Cl)cc3)c2)n1 480911591 KWWVIIDKDJOUJC-QGZVFWFLSA-N 426.881 5.256 30 20 IKED CC(C)(C#N)c1ccccc1CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 487461074 LMOVLWBUWNPKQV-HXUWFJFHSA-N 436.556 5.357 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cc(Cl)ccc2Br)cc1 487883020 IDDIICOLFQMCOI-UHFFFAOYSA-N 431.639 5.179 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cnc(-c3ccccc3)s2)cc1 487994810 GLTQBFCPXREBAK-UHFFFAOYSA-N 427.504 5.663 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1ccc(C)cc1 489648253 AWCKMFRBHWMVLC-SFHVURJKSA-N 431.565 5.960 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)C3(Cc4cccc(F)c4)CCCCC3)CC2)c1 491903016 UGGZULBZEGJIEU-UHFFFAOYSA-N 447.554 5.068 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@H](C)O2 499706838 MPIPHANSTNHKPT-POZUXBRTSA-N 431.985 5.442 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2)cc1 501483021 VTGAHDPJKNAVOJ-UHFFFAOYSA-N 443.484 5.707 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 502253961 LUGDLORJZYEPII-UHFFFAOYSA-N 445.957 5.317 30 20 IKED Cn1c(C(F)F)nc2cc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)ccc21 503938526 ZYYMKBWVPDODSN-UHFFFAOYSA-N 448.448 5.364 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc([C@H]3CCCOC3)cc2)cc1 504086382 CGAKRSGIIYIFAW-QHCPKHFHSA-N 426.516 5.478 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 504948289 IGQVBPIITXVDAA-UHFFFAOYSA-N 442.253 5.115 30 20 IKED C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(F)c(Br)c1 507666019 GGQSHSFMCAJMBR-CYBMUJFWSA-N 443.272 5.123 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H](c3ccccc3C)C2)cc1 508290953 UFUHTICTIFOGEF-FQEVSTJZSA-N 427.504 5.689 30 20 IKED C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N(C)Cc1scnc1C 508462698 ZDXAVSXQQHSMAS-UHFFFAOYSA-N 431.565 5.111 30 20 IKED C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(c2ncccc2Cl)CC1 508743816 AAQAMXYJJGGJQV-INIZCTEOSA-N 441.938 5.176 30 20 IKED C=CCn1c(-c2cccc3ccccc23)nnc1N(C)Cc1nc([C@@H](C)OCC(C)C)no1 508864815 QQZXHVAKPGGNNO-GOSISDBHSA-N 446.555 5.037 30 20 IKED CN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@H]1CCSc2ccc(Br)cc21 509618497 CGXZJVNMDLMKNJ-SFHVURJKSA-N 444.398 5.951 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 511017880 YOCPAALHRVEDFV-UHFFFAOYSA-N 439.968 5.898 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)cc1 511685456 HATFLAINTXFINH-UHFFFAOYSA-N 437.286 5.486 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)c1 511701394 PTSCBMNMUSLDBD-QHCPKHFHSA-N 429.907 5.441 30 20 IKED CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(COc2ccccc2C#N)c1 513279842 SZAKQOMDKWUWFJ-UHFFFAOYSA-N 429.476 5.096 30 20 IKED C=CCn1c(Cc2ccccn2)nnc1N1CC[C@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 517627572 VUUFVBCJIYIZGP-HRAATJIYSA-N 427.474 5.056 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(Oc2cccc(F)c2)nc1 518259200 FEIKFBYOUJQAPG-INIZCTEOSA-N 436.512 5.729 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CCCOc2ccc(F)cc2F)cc1 519100598 UAAORDXVZUBBNC-UHFFFAOYSA-N 436.458 5.408 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 519883030 UTTWVISWCNEXTA-GOSISDBHSA-N 443.507 5.085 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)c1ccc(C(F)(F)F)cn1 520114263 ZGNAIKXQWDMQLE-NSHDSACASA-N 442.249 6.021 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)Cc2csc(Cc3ccc(F)cc3)n2)cc1 520482484 RTGDMCBHXOSCNV-UHFFFAOYSA-N 443.503 5.718 30 20 IKED C=CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 521269805 RKOFZMLHIHIJLJ-CQSZACIVSA-N 443.912 5.358 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCSC[C@H]3c3ccccc3)c2)c1 522463044 JZLZVUVVFSGRPI-QHCPKHFHSA-N 442.544 5.133 30 20 IKED N#C[C@H](C(=O)c1csc(Cc2ccccc2F)n1)c1nc2ccccc2n1C(F)F 522810839 HTMSOXBXRJRJSC-CYBMUJFWSA-N 426.423 5.108 30 20 IKED C=CCN(CCc1ccccc1)C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 523910290 IEVLLYZGNIEGDZ-HKBQPEDESA-N 432.589 5.398 30 20 IKED CCOc1ccc([C@H](C)NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1OCC 524114081 MPIXGCVBCMKZOX-KRWDZBQOSA-N 434.492 5.019 30 20 IKED Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 524131342 OBZDFZXBHXIKCA-QFBILLFUSA-N 449.605 5.420 30 20 IKED CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1 534875901 WLJQWFFOCODYHC-HNNXBMFYSA-N 449.894 5.230 30 20 IKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc([S@@](C)=O)cc1 535956032 YUMLGHZQPXVELC-NOVUIFNWSA-N 434.586 5.079 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(C(=O)OC(C)(C)C)c3)n2)cc1 536715801 JHAUVKLHCVGYKQ-LJQANCHMSA-N 434.517 5.264 30 20 IKED O=C(CN[C@@H](CC(F)(F)F)c1ccc(F)cc1)Nc1ccc(Cl)cc1C(F)(F)F 537076720 NXSBWZOTXIFVFN-HNNXBMFYSA-N 442.762 5.720 30 20 IKED CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2ccc(C3(C#N)CC3)cc2)c1 539601277 WBMHTEBNBGDTSO-HXUWFJFHSA-N 437.543 5.604 30 20 IKED Cc1ccc([C@@H](N[C@H](C)c2ccc(C#N)c(F)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 540706477 BCXBAPXZUVXIGD-CJAUYULYSA-N 436.552 5.158 30 20 IKED COc1cc(CN[C@@H](C)c2ncc(-c3ccccc3)o2)ccc1OCc1cccc(C#N)c1 542573583 QLOGLFSZNJZYBX-IBGZPJMESA-N 439.515 5.652 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NCc1ccc(F)cc1C#N 543496240 DLPWHJONYYLBRC-GFCCVEGCSA-N 430.346 5.743 30 20 IKED Cc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)ccn1C(C)C 549865120 ANUADOPZWAODDQ-UHFFFAOYSA-N 432.471 5.568 30 20 IKED N#Cc1ccc(N2CCC(N[C@H](Cn3cnc4ccccc43)c3ccc(F)cc3)CC2)cc1 552246287 PEORPOVIAIZTBF-AREMUKBSSA-N 439.538 5.047 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)Nc2ccccc2Oc2ccc(Cl)cc2)CC1 554557829 SIJTXVVYUYZQTN-UHFFFAOYSA-N 432.911 5.617 30 20 IKED CC(C)CN(C(=O)C(=O)Nc1ccccc1SCCC#N)[C@@H](C)c1ccccc1Cl 556525181 IPEZBKAEKIJJKH-KRWDZBQOSA-N 444.000 5.530 30 20 IKED Cn1c(Cc2cccs2)nc2cc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)ccc21 557566293 XNOKVOQXLDCYJO-GGAORHGYSA-N 440.572 5.138 30 20 IKED COCCCOc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1OC 560742566 LFIUYLQJZAADDJ-UHFFFAOYSA-N 432.476 5.027 30 20 IKED C[C@@H](Oc1ccccc1NC(=O)c1ccc(COc2ccccc2C#N)o1)C(F)(F)F 566581476 LKJRPIYIPXZNFB-CQSZACIVSA-N 430.382 5.312 30 20 IKED N#Cc1cnc2c(F)c(F)c(F)cc2c1N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 587425130 DBCPSTWSDSHGKP-IUCAKERBSA-N 427.270 5.091 30 20 IKED C=CCn1c(SCC(=O)Nc2cccc(COCC)c2)nnc1-c1ccc(Cl)cc1 588048225 RYCVOUMPTFTSCH-UHFFFAOYSA-N 442.972 5.052 30 20 IKED CSCC[C@](C)(C#N)NC(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12 589020931 LIWHXFZUOFELJN-XMMPIXPASA-N 440.012 5.427 30 20 IKED CC(C)Oc1ccc(F)cc1NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 589735566 BLHBSTYSDYUDKT-QWRGUYRKSA-N 430.364 5.644 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 592974007 MCLIKBLCFGGPHC-AWEZNQCLSA-N 427.913 6.011 30 20 IKED C=CCc1cc(C(=O)N2CCC(c3nc(-c4ccccc4)cs3)CC2)cc(OC)c1OC 599255174 AZALTFGVSVIJBN-UHFFFAOYSA-N 448.588 5.576 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 603524892 JCXZQCSVSCTDKP-UHFFFAOYSA-N 439.559 5.002 30 20 IKED COc1cc([C@@H](C)NC(=O)N(C)Cc2ccc(C#N)cc2)ccc1OCc1ccccc1 604077563 FKJNBRAKNGMOEJ-LJQANCHMSA-N 429.520 5.048 30 20 IKED CC[C@H](c1ccccc1)c1nnc(SCCC(=O)Nc2sc3c(c2C#N)CCC3)o1 609019102 GGWGXJLBMUINQZ-OAHLLOKOSA-N 438.578 5.154 30 20 IKED N#C[C@@H](NC(=O)c1ccc(F)cc1Br)c1ccc(OCc2ccccc2)cc1 609028902 ZYHAPCRANWRDBM-OAQYLSRUSA-N 439.284 5.162 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)c1 609067010 QUMGSMOTNHLDQW-UHFFFAOYSA-N 433.867 5.042 30 20 IKED CCCOc1ccc([C@@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC 609436135 GWNZMQQZFCRLJQ-DLBZAZTESA-N 427.570 5.761 30 20 IKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)CCCCOc1cccc(C#N)c1 609500684 KGOUOJWJDHANKM-UHFFFAOYSA-N 442.519 5.699 30 20 IKED Cc1cc(N2CCSCC2)ccc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 609987805 FKCUZZRCJNDQDE-UHFFFAOYSA-N 428.561 5.416 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)Nc3cnn(Cc4ccc(Cl)cc4)c3)cn2)c1 610321143 IECJTOSCLPOOCV-UHFFFAOYSA-N 444.882 5.288 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 615576161 QOKIXGFRQBRVOK-UHFFFAOYSA-N 443.950 5.762 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1CCSc2c(F)cccc21 642949333 IIAAAXWAFHDEMN-GPCCPHFNSA-N 444.416 5.571 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2Cc3ccccc3-c3ccccc3C2)cc1 726229960 KGRAAQNEZQOEHJ-MUUNZHRXSA-N 429.523 6.557 30 20 IKED N#Cc1ccccc1/C=C\C(=O)O[C@H](c1cc(Br)ccc1F)C(F)(F)F 730403260 ZWLFXRHORPCHGM-CTEOGUNLSA-N 428.179 5.320 30 20 IKED O=C1/C(=C/c2cccc(F)c2F)CN(Cc2ccccn2)C/C1=C\c1cccc(F)c1F 730728941 ATUOKSPIXXDJFK-GDAWTGGTSA-N 438.424 5.190 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1c[nH]c2cc(Cl)ccc12 731078087 MTAHFENRHAZWIE-CYBMUJFWSA-N 427.913 5.011 30 20 IKED C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1cccc(OCc2ccccc2C#N)c1 732022438 XRWYZQOALNVULH-XMERXJNXSA-N 426.516 5.128 30 20 IKED CC(C)(C)OC(=O)NCc1cccc(NC(=O)c2ccccc2-c2ccccc2C#N)c1 732123453 AYFGRBAFWDWUCI-UHFFFAOYSA-N 427.504 5.502 30 20 IKED COc1cc(COC(=O)c2c(F)cccc2Cl)ccc1OCc1cccc(C#N)c1 735126664 AFPHGJBJZSXCCM-UHFFFAOYSA-N 425.843 5.295 30 20 IKED CC(=NN[C@H](C)c1ccc(C(C)C)cc1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741762666 QGORMCNCBDBXOT-OAHLLOKOSA-N 426.504 5.221 30 20 IKED N#CCOc1ccccc1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 742785454 WKHNCFIULHZMLZ-UHFFFAOYSA-N 437.377 5.524 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2nc(C(C)C)n(-c3ccccc3F)n2)cc1 744032576 HFECEBIMTXIKTE-APWZRJJASA-N 447.514 5.004 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)Cn1nc(C2CC2)n(CC=C)c1=S 749246986 YBJMGQSTAPWFHU-UHFFFAOYSA-N 437.382 5.025 30 20 IKED C[C@H](CC(C)(C)c1ccccc1)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 749679939 LIYFBWIUWOLSAG-NLFFAJNJSA-N 439.559 5.153 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCCCC[C@@H]3C[C@@H](O)c3ccco3)cc2)cc1 752102098 QOEHNWMBKQRRDI-RCZVLFRGSA-N 444.531 5.646 30 20 IKED CN(Cc1ccccc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)C(=O)OC(C)(C)C 752694800 QUKCCULOSVOBAC-FYYLOGMGSA-N 448.567 5.357 30 20 IKED FC(F)(F)c1ccc(Cl)c(C=Nn2cnnc2SCc2ccc(Cl)cc2)c1 753695686 QYZGDCMMXVGQHA-UHFFFAOYSA-N 431.270 5.778 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3C[C@@H](O)c3cccs3)cc2)cc1 754404067 QYLSVJNDRGBVMQ-NZQKXSOJSA-N 432.545 5.335 30 20 IKED C#C[C@H](CC)NC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 754680256 PIBNZKOZDHKKGE-QGZVFWFLSA-N 425.604 5.097 30 20 IKED N#Cc1cc(F)c(C(=O)OCc2csc(-c3ccc(Br)cc3)n2)c(F)c1 756588352 FFKDDJNMDFJURK-UHFFFAOYSA-N 435.249 5.079 30 20 IKED C[C@@H](OC(=O)CSCc1ccc(C#N)cc1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 761083544 GNGHBUCZAGYREE-GFCCVEGCSA-N 448.331 5.453 30 20 IKED O=C(CSCC(F)(F)F)O[C@H](c1cc(Br)ccc1F)C(F)(F)F 761762384 VFVVLCQSGLVTNH-SNVBAGLBSA-N 429.151 5.030 30 20 IKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccc(Cl)cc2)=C(/O)c2ccc(C#N)cc2)cc1 762445846 ZKRKSTYFDHLKAN-UHFFFAOYSA-O 448.999 6.120 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C(=O)OC(C)(C)C)c1ccccc1 767976612 GAVLYQXUJNYLTD-QGZVFWFLSA-N 425.554 5.461 30 20 IKED CCCCCCCCOCc1cccc(NC(=O)N2CCOC3(CCOCC3)CC2)c1 769234355 VXOQEVLFEFAWQY-UHFFFAOYSA-N 432.605 5.367 30 20 IKED CCN(Cc1ccccc1)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1 770118110 GTRRFANFVFRUHQ-QHCPKHFHSA-N 438.556 5.722 30 20 IKED CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 777299030 XYTFBLYWLNDXDM-GAJHUEQPSA-N 443.569 5.078 30 20 IKED Cc1csc(Sc2ccc(C(=O)Nc3ccccc3O[C@H](C)C#N)cc2[N+](=O)[O-])n1 780152666 GODBZVQJKDWJAJ-CYBMUJFWSA-N 440.506 5.054 30 20 IKED CC[C@H](C#N)SC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1ccc(Cl)c(OC)c1 780329170 HWVDJKHNUWXFQL-HDZGYNCQSA-N 441.940 5.136 30 20 IKED CN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCOc2ccc(Br)cc21 782210602 CTRSTOYDPWOQGI-INIZCTEOSA-N 436.762 5.127 30 20 IKED N#Cc1cccc([C@H](NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)C(F)(F)F)c1 783672447 SDYZZOQXLWKWQN-KRWDZBQOSA-N 441.400 6.094 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 789452638 UUDDZYFHVIKIDQ-WIYYLYMNSA-N 429.605 5.696 30 20 IKED C=CCN(C(=O)c1cnc(Br)c(Cl)c1)c1nc(-c2ccccc2)cs1 790116350 BFZHQILERPKOKN-UHFFFAOYSA-N 434.746 5.454 30 20 IKED N#Cc1cc(NC(=O)c2occ3c2CCOC3)ccc1Oc1ccc(C(F)(F)F)cc1 796738384 UHEJQWOAHHNEDI-UHFFFAOYSA-N 428.366 5.287 30 20 IKED Cc1ccc(N2CCOCC2)cc1NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 797694730 VQQXBGWMWOGTNO-FQEVSTJZSA-N 440.547 5.253 30 20 IKED N#C[C@@H](C(=O)Cc1c(F)ccc(Br)c1F)c1nc(-c2ccccc2)cs1 800387936 XNPWNRJYXAIUJV-ZDUSSCGKSA-N 433.277 5.270 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C(=O)C(F)(F)F)CC1 802562969 FVGNLZNSTSSXPO-UHFFFAOYSA-N 447.288 5.176 30 20 IKED C#C[C@H](NC(=O)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(Cl)cc1 810473772 HRFKEXORPBCZDI-IBGZPJMESA-N 445.931 5.046 30 20 IKED N#Cc1cccc(COc2cccc(CNCC(=O)Nc3cc(Cl)ccc3Cl)c2)c1 915676214 GCYLEGLBSAXDCZ-UHFFFAOYSA-N 440.330 5.172 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNC(=S)Nc2ccc(C)cc2)cs1 915923664 WOKQQTDAFBVGSK-UHFFFAOYSA-N 443.985 5.110 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(OCC#N)cc2)ccc1OCc1ccc(Cl)cc1 916152295 WMGGPZOVASHYLU-UUILKARUSA-N 433.891 5.726 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCc1ncc(-c2ccc(C)cc2)o1 916903406 NQIFBGIDWLSIAT-NRFANRHFSA-N 429.520 5.055 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 916906507 IGHCEXNQYUODGT-JOCHJYFZSA-N 427.548 5.523 30 20 IKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(C2SCCCS2)cc1 916936621 RBVYHWJCWCWSNS-HNNXBMFYSA-N 434.945 5.309 30 20 IKED COc1ccc(-c2cc(N[C@H](C)C(=O)Nc3ccccc3C#N)ccc2OC(F)F)cc1 917175304 UACXXMHISCJHSN-OAHLLOKOSA-N 437.446 5.274 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc(-c4ccccn4)nc4ccccc34)cn2)cc1 918586730 FDSFNISBQFLRLL-UHFFFAOYSA-N 443.466 5.608 30 20 IKED CC[C@@H](C)c1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806464 LTLJFZLZYAIIBE-GDBMZVCRSA-N 426.488 5.857 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)/C(C)=C/c3cccs3)cc2)CCC1 1785819995 LRDCOKZWHIUXHF-WBWKYDSYSA-N 439.581 5.086 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3sccc3Cl)CCC2)cc1 1786366988 MXSFOUBPLLFCRX-UHFFFAOYSA-N 432.973 5.132 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccc4cccnc4n3)cc2)CCC1 1789242986 PFXBSCUUXOGGJC-UHFFFAOYSA-N 440.547 5.146 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc4c(Cl)cncc4s3)CCC2)cc1 1792264494 ZLYYBOWYVDEBDI-UHFFFAOYSA-N 437.952 5.111 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)/C(C)=C/c3ccc(C)o3)CC2)C1 1804862726 ZCHAECRBALWDCJ-CZIZESTLSA-N 426.601 5.215 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3nc(C)ccc3o2)[nH]n1 1814442236 OTQSIPPALZNFHS-LJQANCHMSA-N 449.555 5.158 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)C1 1823702130 VHXSYEHKCLFFLP-HXUWFJFHSA-N 435.395 5.193 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2F)CC1 1823938512 GGYSCSJHJBIEPA-REWPJTCUSA-N 446.994 5.481 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3sccn3c2)CC1 1827406253 NVJNVUCZHIJJRB-FCHUYYIVSA-N 439.625 5.003 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccccc3o2)CC1 1828192990 QZGAHOUELWJKHV-DHIUTWEWSA-N 434.580 5.435 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCC(F)(F)CC2)CC1 1829068275 NVNQYTYJDAENNZ-OAQYLSRUSA-N 438.603 5.424 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC)cc2F)CC1 1829068834 SIGLTTJYJHOVIK-QHCPKHFHSA-N 444.591 5.060 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)c(OC)c2)CC1 1830068130 RSMQTKLUCAWMSJ-HSZRJFAPSA-N 440.628 5.229 30 20 IKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 1831851734 UQMOZZLIJMIPMC-QGZVFWFLSA-N 441.424 5.092 30 20 IKED CCOc1ccc(OCc2nnc(S[C@@H](C)C#N)n2-c2ccc(C)c(Cl)c2)cc1 9456746 OSUZOCDECFEVAK-HNNXBMFYSA-N 428.945 5.211 30 20 IKED N#CCCN(C(=O)CSc1nnc(Nc2ccccc2F)s1)c1cccc(Cl)c1 10316467 AQQUWJOIOMDUOI-UHFFFAOYSA-N 447.948 5.113 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2ccccc2Cc2ccccc2)n1 21514732 AUTGVGQUDNECCE-UHFFFAOYSA-N 441.478 5.602 30 20 IKED O=c1ccc(/C(O)=N/c2nc(-c3cccc(F)c3)cs2)cn1Cc1ccccc1Cl 29354968 IONUFLPDMMXDSW-UHFFFAOYSA-N 439.899 5.449 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)c1nc2ccccc2s1 62675186 IUUXHERFPBHEGY-LLVKDONJSA-N 430.341 6.217 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 64456417 GLTGIENLDKJQEA-UHFFFAOYSA-N 428.879 5.325 30 20 IKED COC(=O)c1sc2ncc(C(=O)/C=C\c3ccc(OCc4ccncc4)cc3)cc2c1C 208109734 BMMRPRPNTSARES-YVMONPNESA-N 444.512 5.261 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)nnc1-c1ccccc1F 218660072 GQXHKRYJANPYFK-YJBOKZPZSA-N 442.585 5.176 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)nnc1-c1ccccc1F 218660358 NDTINSOWKKXXED-SJORKVTESA-N 436.556 5.119 30 20 IKED O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 303678256 LQYFWNZLJUVLMX-INIZCTEOSA-N 434.355 5.322 30 20 IKED N#C[C@H](C(=O)c1ccc(Sc2ccccc2Cl)nn1)c1ccc(C(F)(F)F)cn1 426176055 KXFSJDPDZSMNCU-LBPRGKRZSA-N 434.830 5.185 30 20 IKED Cc1ccc(Sc2ccc(C(=O)[C@@H](C#N)c3nc4c(C)ccnc4[nH]3)cc2[N+](=O)[O-])cc1 429566052 JGJZPPLHINAYEN-QGZVFWFLSA-N 443.488 5.124 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](CO)Cc1cccc(Br)c1 429626468 XUVMVKWYZNILLY-SFHVURJKSA-N 445.401 5.274 30 20 IKED O=C(Cc1cccc(OCC(F)(F)F)c1)Nc1ccc(OC(F)F)cc1OC(F)F 431787712 IHXRUAWKDCPVOD-UHFFFAOYSA-N 441.299 5.012 30 20 IKED Cc1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)n(C2CCOCC2)n1 434334836 PSUFUYLMQUUBSM-UHFFFAOYSA-N 436.899 5.113 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)c1cc(C#N)oc1C 435457241 DLPZTJVGGRKUQT-SNVBAGLBSA-N 430.327 5.145 30 20 IKED CCN(C(=O)c1cc(C#N)cs1)[C@H](c1ccc(Br)cc1)c1cccnc1 437580489 RXIFWPHIVAFJNZ-LJQANCHMSA-N 426.339 5.029 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)c1ccc(C(F)(F)F)cc1 442224151 GUQVFWDNVNYBDV-IBGZPJMESA-N 433.474 5.297 30 20 IKED N#Cc1ccc(C2(C(=O)Nc3ccc(Oc4nncc5ccccc45)c(Cl)c3)CC2)cc1 444237465 IVYPPCKGYYIKQB-UHFFFAOYSA-N 440.890 5.617 30 20 IKED N#CC(CCN1CCC[C@@H](CNC(=O)c2ccccc2)C1)(c1ccccc1)c1ccccc1 444648579 JRYMKBFAPWYGKR-DEOSSOPVSA-N 437.587 5.028 30 20 IKED Cc1ccc(C(=O)NC2CCN(CCC(C#N)(c3ccccc3)c3ccccc3)CC2)s1 444670006 WMYIYNXGMAGMGC-UHFFFAOYSA-N 443.616 5.151 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)s2)cc1 445677273 WNEYKASYYUOJAX-UHFFFAOYSA-N 438.431 5.112 30 20 IKED N#Cc1cccc(COc2ccc(N3C(=O)[C@H]4C[C@H](C5CCCCC5)CN4C3=O)cc2F)c1 445956275 HCUBCZMQCDEFPW-NZQKXSOJSA-N 447.510 5.014 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3coc(-c4ccc(OCC)cc4)n3)o2)cc1 448103982 ZGDQJDJTMJKFDU-UHFFFAOYSA-N 435.505 5.647 30 20 IKED N#C[C@H](C(=O)c1ccc2cc(Br)ccc2c1)c1nc2ccccc2n1C(F)F 448326996 FUHDAOCKPPNPDP-MRXNPFEDSA-N 440.247 5.837 30 20 IKED Cc1cccc(O[C@@H](C)c2nnc(N(CCC#N)CC3CC3)n2Cc2cccs2)c1C 461498448 STXIIBQQQQMEGE-IBGZPJMESA-N 435.597 5.275 30 20 IKED N#C[C@@H](C(=O)c1c[nH]nc1-c1c(F)cccc1F)c1nc(-c2c(F)cccc2F)cs1 464505855 FWNINGNJIDASEI-JTQLQIEISA-N 442.397 5.247 30 20 IKED Cc1csc([C@@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C2CC2)n1 466091327 FKQMBRNJGCZINA-QFIPXVFZSA-N 434.540 5.325 30 20 IKED N#CCCCOc1cccnc1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 466592940 KRPGRSIUQROLHM-IBGZPJMESA-N 426.929 5.390 30 20 IKED C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 467913190 ZBVJFWKHFCRZPC-QGZVFWFLSA-N 447.485 5.761 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCC(c3ncccc3Cl)CC2)c1 469962769 FSIUOIPCFKHPEP-UHFFFAOYSA-N 431.923 5.205 30 20 IKED COc1cc(C#N)ccc1OCC(=O)Nc1cccnc1Oc1ccc(Cl)cc1Cl 470121651 JNBARUJGQFYPBY-UHFFFAOYSA-N 444.274 5.078 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(Sc2ccccc2Cl)nn1 470528967 NQWAAVKKBIBMRQ-FXAWDEMLSA-N 434.952 5.193 30 20 IKED C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C2CC2)o1 470558282 DYKPSGSKOZJZEG-VGSWGCGISA-N 446.551 5.182 30 20 IKED CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)o1 470562502 INCSBRYYUYOUSL-MBSDFSHPSA-N 448.567 5.430 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1 472858063 ZSSCERWFWUJUOO-UHFFFAOYSA-N 435.915 5.583 30 20 IKED CNC(=O)c1cc2cc(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)ccc2[nH]1 473582374 IRKXIZBWUXBSSM-UHFFFAOYSA-N 444.878 5.097 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 479516198 UGVYFXYGXSUMIA-UHFFFAOYSA-N 441.556 5.200 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(C)n(-c2ccc(Cl)cc2Cl)n1 480655923 VFLLCAMPXXPHGS-UHFFFAOYSA-N 449.338 5.183 30 20 IKED C=CCn1c(SCc2nnc(-c3cc(C)c(CC)s3)o2)nnc1-c1ccccc1C 481378458 VERJVEGFBSIUSM-UHFFFAOYSA-N 437.594 5.714 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 483331793 UEOYBDMDVHDSMN-KIFXHHALSA-N 448.636 5.599 30 20 IKED CCOC(=O)c1csc(N(C(=O)c2ccc(C(C)(C)C#N)cc2)c2ccc(OC)cc2)n1 483593316 OCEZIUKGTMUPBK-UHFFFAOYSA-N 449.532 5.108 30 20 IKED Cc1ccc(-c2noc([C@@H](C)NCc3cccc(OCc4cccc(C#N)c4)c3)n2)cc1F 483662217 OXDORQCHWBEZMN-GOSISDBHSA-N 442.494 5.486 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccncc4)c3C(F)F)n2)cc1 489862966 HHRQRUDESZQGRW-INIZCTEOSA-N 435.459 5.127 30 20 IKED Cc1c(C(=O)Nc2cc(C(N)=O)ccc2NCc2ccccc2)sc2ccc(C#N)cc12 489868306 DIVQZFSWTWOANT-UHFFFAOYSA-N 440.528 5.045 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H](C)c1sc(-c2ccccc2)nc1C 495625802 RBPWSKUTGUTJHS-SJLPKXTDSA-N 425.623 5.434 30 20 IKED Cc1cc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)nn1-c1ccc(Cl)c(Cl)c1 498090989 COAULOHGDRFZHV-UHFFFAOYSA-N 440.212 5.025 30 20 IKED C/C=C/c1ccc(NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 500022443 MVMCYAJHQSUGCS-DUXPYHPUSA-N 445.906 5.401 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 500757840 XIMSAUPKQMFUSB-XMMPIXPASA-N 441.487 5.029 30 20 IKED Cc1ccccc1CN(Cc1cccnc1)C(=O)Nc1ccccc1S[C@H](C)CC#N 503227694 WVUWEYXQNVQGFK-HXUWFJFHSA-N 430.577 6.019 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)c3csc(-c4cccc(C(F)(F)F)c4)n3)CC2)cc1 503974310 XGENNLYNSKPKAR-UHFFFAOYSA-N 439.462 5.630 30 20 IKED CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1 505348650 IIHRDXBXBKYTHX-IBGZPJMESA-N 432.351 5.250 30 20 IKED O=C(Nc1cccc(C(F)F)c1)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 506024871 ORFCSMXWUMUGPA-UHFFFAOYSA-N 443.290 5.759 30 20 IKED Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)c1cccc(C#N)c1C 509992103 XLDKUKIXUYTPCN-UHFFFAOYSA-N 426.495 6.164 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@@H]3c3ccsc3)s2)cc1 510091297 XLNMKYKIBFTFFG-MRXNPFEDSA-N 427.580 5.133 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)[C@@H]1CCCN(C2CCC2)C1 511271926 XXDBIXYUGXTEJO-PZJWPPBQSA-N 432.568 5.434 30 20 IKED CCc1cc(C#N)c(NC(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)s1 512935442 GDVXWQDWHJVBPC-GFCCVEGCSA-N 431.970 5.751 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 512937436 NJCMWAAUZWKZOA-GFCCVEGCSA-N 442.978 5.842 30 20 IKED CC(=O)N[C@@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1cccs1 515709134 OBDPLIFBYALJAD-IBGZPJMESA-N 439.924 5.271 30 20 IKED C[C@H]1CCc2[nH]c3ccc(C(=O)[C@@H](C#N)c4nc(-c5ccc(C#N)cc5)cs4)cc3c2C1 516270415 XQPMZWSKAVTGPS-YCRPNKLZSA-N 436.540 5.778 30 20 IKED CC(C)C[C@@H](NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1cccs1 516477532 FDOXTXXHKONVLS-JOCHJYFZSA-N 447.560 5.041 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCCc3nc(-c4cccs4)no3)cc2)cc1 519057358 YOHARLVNADFWNJ-UHFFFAOYSA-N 430.489 5.423 30 20 IKED Cc1noc([C@H]2CCCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)C2)n1 519992502 QYUSWVJBPQLLJT-INIZCTEOSA-N 437.887 5.107 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(COCc2ccccc2)c1 520160794 NRVMPUBBEKXMON-UHFFFAOYSA-N 441.575 5.643 30 20 IKED CC[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(C)cc1 522501254 USQQMDVCKJWSNQ-VWNXMTODSA-N 445.950 5.510 30 20 IKED N#Cc1ccsc1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 522732641 SJCLUPXEWRJEEZ-UHFFFAOYSA-N 431.832 5.043 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 524429049 NUNRVPYAYAXVAC-UHFFFAOYSA-N 435.487 5.202 30 20 IKED CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1 525019047 JDYZRKWWNUCXKH-UHFFFAOYSA-N 438.940 5.106 30 20 IKED Cc1ccc(-c2nc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cs2)n1C 536122822 CLGHLZFMKUQHIA-UHFFFAOYSA-N 442.544 5.354 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3coc(-c4ccccc4Cl)n3)n2)cc1 540683946 IIDSIPSXJZXDKH-INIZCTEOSA-N 435.892 5.617 30 20 IKED N#CC1(CCCSc2nnc(-c3cccs3)n2-c2ccc(Cl)cc2)CCOCC1 540806982 FJNOJZMLMVKFKU-UHFFFAOYSA-N 445.013 5.842 30 20 IKED Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 541993638 HSAZCCRQPVHLFL-QFIPXVFZSA-N 429.524 5.840 30 20 IKED CCCCSc1ccc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)cc1C(F)(F)F 545492591 FRBQZCBOZZCWLG-OAHLLOKOSA-N 436.503 5.406 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 553082080 PJOAYTRBGHKEQI-UIOOFZCWSA-N 431.532 5.059 30 20 IKED Cc1cc(Cl)ccc1CN1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 554206186 KWJAIPDFNAWIPP-GOSISDBHSA-N 443.016 5.392 30 20 IKED CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1 559714469 FZMQCGAQXNYWKZ-QGZVFWFLSA-N 449.551 5.040 30 20 IKED CCSc1cccc(Br)c1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 561403174 LUWWYQFFDNVRID-SJLPKXTDSA-N 444.398 5.865 30 20 IKED C=CCOc1c(Br)cc(CNc2cccc3c2OCC[C@@H]3OC)cc1OC 562504295 PZLWXASKEFSQJU-SFHVURJKSA-N 434.330 5.105 30 20 IKED C=CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 576195673 OFERPKYJAJSDFJ-HXUWFJFHSA-N 431.565 5.303 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)o1 592974640 WAYCAJVHGYAPLS-QGZVFWFLSA-N 442.475 5.680 30 20 IKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N(CC)[C@H](CC)c1ccccc1 603618692 DICMFIFIGGQPAV-LJQANCHMSA-N 445.357 5.098 30 20 IKED COc1ccc([C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)c2ccccc2)cc1 603835814 HDRGXNIWKARDBW-SANMLTNESA-N 438.483 5.258 30 20 IKED N#C[C@]1(NC(=O)c2cc(-c3cccs3)n(-c3cc(Cl)cc(Cl)c3)n2)CCSC1 603887110 XLQQUMVXVLPUML-LJQANCHMSA-N 449.388 5.037 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(COc3ccc(Cl)cc3)cc2)n1 604433363 KNVSBNZAQSRTTP-GOSISDBHSA-N 440.908 5.042 30 20 IKED CCCCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H](C)c1ccc(C)o1 604500518 PGXWWSOYOWXSKA-NRFANRHFSA-N 445.563 6.628 30 20 IKED COc1cc(F)c(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(F)c1 608850766 KSYVDDGLXGJMFA-KRWDZBQOSA-N 448.878 5.083 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCO[C@@H](c2ccccc2)C1 609077999 AGGBRRJGIUILTF-RUZDIDTESA-N 427.504 5.051 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(F)c(Cl)c1 609379254 RICOXYUDWBDION-UHFFFAOYSA-N 438.855 5.304 30 20 IKED CCC(C)(C)NC(=O)c1ccc(NC(=O)CCCCOc2cccc(C#N)c2)cc1Cl 609501391 KZGFDSBMMYESLG-UHFFFAOYSA-N 441.959 5.318 30 20 IKED COc1cccc(NC2CCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC2)c1 609921741 WDZLCNKVHWJTAG-UHFFFAOYSA-N 427.504 5.076 30 20 IKED C[C@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609941677 FPEYVCQJAQVYMX-MRXNPFEDSA-N 433.895 5.162 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](Cn1cccn1)c1ccccc1 610163146 MVORQHLNUCPGAD-VWLOTQADSA-N 437.503 5.419 30 20 IKED Cc1cccc2c(CCNC(=O)c3ccccc3SCc3ccc(C#N)cc3)c[nH]c12 610204116 BNAIGZPFEUJRJA-UHFFFAOYSA-N 425.557 5.613 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(OCc2ccccc2)c(OC)c1 615626175 KNFIAOSKUKHCGS-UHFFFAOYSA-N 434.511 5.311 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)oc2ccc(Br)cc12 642282702 XLOKKMZQMZLDDG-CYBMUJFWSA-N 444.235 5.739 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@H](C)c2ccc(C(=O)C(C)C)cc2)c1C#N 669962282 PMGBGPFCTJONMA-MRXNPFEDSA-N 432.549 5.047 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC[C@](F)(c2ccccc2)C1 670108252 XBVYIZMFWGUNPS-CKEIUWERSA-N 426.376 5.176 30 20 IKED O=C(Nc1cc(C(F)F)ccc1Cl)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 676134980 HIKYPQALQCMYHZ-MYJAWHEDSA-N 438.746 6.309 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CNc1ccccc1NC12CC3CC(CC(C3)C1)C2 726186048 SROIOCAQOWBSEF-UHFFFAOYSA-N 434.971 5.643 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cnc(Cc2ccc(F)cc2)s1 727233111 GADIXRSUQVPNRJ-AWEZNQCLSA-N 448.306 5.141 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)cc1 727788877 RJPFKSXTPGSBKE-SANMLTNESA-N 437.543 5.401 30 20 IKED Cn1c(C(=O)Nc2cc(C#N)ccc2OC(F)F)ccc1-c1ccccc1Br 728012680 KMKPAYMQRGYPHT-UHFFFAOYSA-N 446.251 5.180 30 20 IKED COc1ccc(-c2nn(CN(CCC#N)CC3CC3)c(=S)n2C2CCCCC2)cc1 728904703 UIKAIALEZOTMON-UHFFFAOYSA-N 425.602 5.178 30 20 IKED N#CCn1c(C(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)cc2ccccc21 729326211 KNVMXWDMNOALIO-HNNXBMFYSA-N 430.360 5.703 30 20 IKED Cn1c([C@H](C#N)C(=O)c2sc3cc(Br)ccc3c2Cl)nc2ccccc21 729886269 DGXQNBCWIPIOAS-GFCCVEGCSA-N 444.741 5.694 30 20 IKED C=C(C)CN1CCC(NC(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)CC1 730061332 FOIBQLOWKISMBJ-OAHLLOKOSA-N 428.429 5.135 30 20 IKED O=C(O[C@@H](c1cc(Br)ccc1F)C(F)(F)F)c1ccc(C(F)(F)F)nc1 730405769 LXAAPCZRMKSVND-LBPRGKRZSA-N 446.116 5.462 30 20 IKED C#CCOc1ccc(NC(=O)N(C)[C@H]2CCSc3ccc(Br)cc32)cc1 731113212 MDUPLTNJAHBQGS-SFHVURJKSA-N 431.355 5.162 30 20 IKED C#CCN(C(=O)Nc1ccccc1C(C)C)[C@@H]1CCOc2ccc(Br)cc21 733616786 WEYLAYAAYOQUBJ-HXUWFJFHSA-N 427.342 5.563 30 20 IKED CN(C)CCOc1ccc(N(C)C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 735011975 BUHPTDGXFPKBLL-UHFFFAOYSA-N 449.938 5.221 30 20 IKED COc1ccc(-c2nc(CSCc3cc(Cl)ccc3OCC#N)cs2)cc1OC 735317478 BCWDXXNVUDKHKV-UHFFFAOYSA-N 446.981 5.816 30 20 IKED O=C(/C=C\c1c(Cl)ccc(Cl)c1Cl)c1ccc(S(=O)(=O)CC(F)F)cc1 741851971 HBWMHPSGYVWHMP-YVMONPNESA-N 439.694 5.582 30 20 IKED Cc1ccc(N2CCOC2=O)cc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 743777866 NPOSMZIINGHVBJ-UHFFFAOYSA-N 431.423 5.007 30 20 IKED C[C@H](OC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)N(CCC#N)c1ccc(F)cc1 744504226 NSTXDSLZMPOMLY-HNNXBMFYSA-N 440.858 5.231 30 20 IKED N#Cc1ccc(F)c(COC(=O)C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)c1 745343080 QAZVNKHIRGEZFP-UHFFFAOYSA-N 445.490 5.068 30 20 IKED COc1ccc2ccccc2c1CN(C(=O)NCc1ccc(OCC#N)cc1)C1CCCC1 745800046 WEKLKDJVAQBRSN-UHFFFAOYSA-N 443.547 5.405 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)ccc1OC 745819698 PALVIMWTLVJYBV-NSOPBCBCSA-N 441.959 5.226 30 20 IKED CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc(S(C)(=O)=O)c(OC)c3)ccc21 747061388 JXJITIGKYQSAJN-JLHYYAGUSA-N 433.529 5.123 30 20 IKED N#C[C@H](COC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)Cc1ccccc1 750786896 LGNGMYHEIKOABB-OAHLLOKOSA-N 428.275 5.115 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)Nc3ccc(OCc4cccc(F)c4)c(F)c3)CCO2)c1 761848275 VNZNUOZXRSHRIQ-XMMPIXPASA-N 449.457 5.021 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)c1cc(Br)ncc1F 762421879 KUNNTNJETPDNAE-BQYQJAHWSA-N 434.696 5.086 30 20 IKED CCC(CC)c1cc[n+](/C(C(=S)N[C@@H]2CCCC[C@@H]2C)=C(/O)c2ccc(C#N)cc2)cc1 762440984 PVADHBPGIKFRMZ-YADARESESA-O 448.656 6.129 30 20 IKED N#CCOc1ccc(CC(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)cc1 762719984 YREVRPXQDRNECN-UHFFFAOYSA-N 433.213 5.018 30 20 IKED CC(C)(C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc([N+](=O)[O-])cc1F 763005274 SDXCUODYMYTLIV-GFCCVEGCSA-N 445.422 5.290 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 765917057 WTIUXBITVFRFJN-IBGZPJMESA-N 439.581 5.332 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCc1ccc(C)cc1Br 773980254 POKKUTGGCYYHSJ-IBGZPJMESA-N 441.369 5.163 30 20 IKED CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)ccc21 776728321 BGVFFWXLRYAJHI-UHFFFAOYSA-N 446.532 5.232 30 20 IKED CCN(CC)C(=O)Nc1ccc(C(C)=NNc2ccc([N+](=O)[O-])cc2Br)cc1 777451734 OSXJMVZRGSUTFT-UHFFFAOYSA-N 448.321 5.067 30 20 IKED N#C[C@H](C(=O)CCNC(=O)c1ccc2ccccc2c1)c1nc2cc(Cl)ccc2s1 779195173 TUONQDNYHGWEPT-GOSISDBHSA-N 433.920 5.099 30 20 IKED C=CC[C@H](NC(=O)N[C@@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21)c1ccncc1 779572997 GLDFDHIZVJCDNT-FCHUYYIVSA-N 436.556 5.423 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCCc3nc(C)sc32)cc1 780539192 SXCOVZJCIXLNBO-IBGZPJMESA-N 434.521 5.323 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnc(NC(=O)OC(C)(C)C)cn1 783042706 VMEVWZOWCUSHPF-UHFFFAOYSA-N 445.479 5.048 30 20 IKED C[C@H](NCc1cn(CCC#N)nc1-c1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 792181446 PUDWWBJCWZUFIT-INIZCTEOSA-N 432.915 5.018 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(C4CC4)cnc3Cl)cc2Cl)c1 793386047 IDPIHBIOMAWPQU-UHFFFAOYSA-N 438.314 5.969 30 20 IKED Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 794932625 XGMHNBIFGJQQNX-QFIPXVFZSA-N 427.891 6.211 30 20 IKED COc1ccc(C)cc1NC(=O)[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1ccccc1 795982587 RCJHZHHEVSILFP-ATIYNZHBSA-N 442.515 5.314 30 20 IKED C[C@@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 795984940 WWJNXGXHQYCWFG-HIFRSBDPSA-N 430.291 5.735 30 20 IKED CC(C)(C)OC(=O)NC[C@H](C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)c1ccc(F)cc1 797569893 ZALBJERZWFIMRC-SJORKVTESA-N 445.560 5.064 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N(Cc3ccccc3)C[C@H](O)c3ccccc3)cc2)nc1 804406619 IPKRBFFXGOESIQ-SANMLTNESA-N 449.510 5.122 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccccc1NC(=O)c1cccc(C)c1 804560306 ZMJAIKKGLORLNK-UHFFFAOYSA-N 430.552 5.243 30 20 IKED C#CCN(C(=O)Nc1ncsc1C(C)C)[C@H]1CCOc2ccc(Br)cc21 808915664 SDWRAYSYJKJSET-HNNXBMFYSA-N 434.359 5.020 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)c1cnc2c(F)ccc(F)c2c1)c1ccc(Cl)cc1Cl 816039015 LVTZETVJEVLCRC-BONVTDFDSA-N 448.256 5.020 30 20 IKED CC(=Nn1c(S)nnc1COc1ccc(C(C)C)cc1)c1cnn(-c2ccccc2)c1C 818269406 TVEYMQLSEGDYJX-UHFFFAOYSA-N 446.580 5.036 30 20 IKED C=C[C@@H]1OCC[C@H]1c1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1 904671195 VPEMTIBHNVIADW-ZBFHGGJFSA-N 437.805 5.655 30 20 IKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2sc3cccc(Cl)c3c2Cl)n1 913331038 GDYUEDLHLKQRLF-VIFPVBQESA-N 425.318 5.006 30 20 IKED Cc1nc(NN=C2CCN(Cc3ccccn3)CC2)c2cc(-c3ccccc3)sc2n1 915942268 KERUBJNMKYFWBX-UHFFFAOYSA-N 428.565 5.126 30 20 IKED COc1ccccc1NC(=O)c1cc2ccccc2cc1OC(=O)/C=C\c1ccccc1C#N 916879068 IUYQVVZZQZMNSR-PFONDFGASA-N 448.478 5.591 30 20 IKED CCCOc1c(Cl)cc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)cc1OC 917645164 SNAGUYLFKAPHHU-WQRHYEAKSA-N 444.965 5.415 30 20 IKED N#Cc1c(NC(=O)CCCNC(=O)OCc2ccccc2)sc2c1-c1ccccc1CC2 917774635 PRFDBZPCTNTFRR-UHFFFAOYSA-N 445.544 5.030 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1)c1ccc2ccccc2n1 920106014 ITQOJXKSGXWZDN-AFGIFNQDSA-N 443.934 5.159 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](OC)c3ccccc3)CCC2)cc1 1789451481 JLWCOMBSJCXUGM-ZEQRLZLVSA-N 432.564 5.277 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1789458265 SJVRCDCBQSZAHX-XMMPIXPASA-N 427.548 5.269 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3sc(C)nc3C)CCC2)cc1 1789624108 JRVWEMANJSIJGE-UHFFFAOYSA-N 425.598 5.500 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)CC34CCCN3CCC4)cc2)CCC1 1790455544 VBUCTTAUMVEQND-UHFFFAOYSA-N 437.628 5.131 30 20 IKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cccc(F)c4F)CCC3)cc2)c1 1790765112 RSJRJUNROOFJHA-UHFFFAOYSA-N 449.432 5.037 30 20 IKED C[C@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1)n1cccc1 1791790666 ZJMOYCXUPJBXKM-QGZVFWFLSA-N 446.938 5.022 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(Cl)c3)CCC2)cc1 1792268689 YSLQETKEPIJZAR-UHFFFAOYSA-N 438.955 5.288 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccccc3o2)[nH]n1 1814442975 FDQIUVZBIDDDQC-LJQANCHMSA-N 434.540 5.454 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C(C)=C/c2ccc(C)o2)CC1 1823751962 FNONDACFQHLARF-UPCAWOEVSA-N 440.628 5.603 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(F)cc2)CC1 1831689660 KBMYUCKKADWIJY-JWQCQUIFSA-N 440.603 5.146 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cnc(C)s2)CC1 1832351375 UWGDZNFNTOFUFL-NEQMZLFVSA-N 443.657 5.077 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2ccc(C(C)C)cc2)cc1 11265452 ANKUVLFGNSVYHM-UHFFFAOYSA-O 433.597 5.719 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2ccc(C)c(F)c2)c1 14872487 LWPOQNPRGLGQJA-UHFFFAOYSA-O 435.588 6.078 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)nc2sc(C)c(C)c2c1=O 17652948 FJPBOADDJWPKBB-HNNXBMFYSA-N 438.578 5.473 30 20 IKED N#CCc1ccc(NC(=O)c2c3c(nc4ccccc24)CCN(Cc2ccccc2)C3)cc1 26383847 LPMDZHBPIDCIDB-UHFFFAOYSA-N 432.527 5.111 30 20 IKED Cc1c(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)oc2ccc(Cl)cc12 26624578 UJPFBYYDOKMXJC-LLVKDONJSA-N 428.897 5.001 30 20 IKED C[C@H](Nc1cc(N[C@H](C)c2ccc(C#N)cc2)cc(C#N)c1[N+](=O)[O-])c1ccc(C#N)cc1 301343552 JNUZTLFTTWSRAP-SJORKVTESA-N 436.475 5.556 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 409524120 WQACWBYRVVCTOQ-UPVQGACJSA-N 442.515 5.205 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3ccc(OC)cc3)no2)nnc1-c1ccc(OC)cc1 426507110 BVJPOTKWFCMCBG-OAHLLOKOSA-N 449.536 5.052 30 20 IKED COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1cccc(SCC#N)c1)CCO2 430626107 RDDYHCTWXHLRMM-XMMPIXPASA-N 444.556 5.477 30 20 IKED O=C(NCC#Cc1ccc(C(F)(F)F)cc1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2 433983398 BCRVAAGXFHPKCS-BANKROOTSA-N 429.404 5.322 30 20 IKED Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)n1 434382987 JPMDLMKBIKQBNP-UHFFFAOYSA-N 447.542 5.551 30 20 IKED C[C@H]1c2c(Cl)cc(Cl)cc2CCN1Cc1cn(CCC#N)nc1-c1ccncc1 435125268 VZPPITVIFCGQLK-HNNXBMFYSA-N 426.351 5.285 30 20 IKED Cc1cc(-c2cc(C(=O)N(C)c3cc(Cl)ccc3C#N)c3cnn(C(C)C)c3n2)c(C)o1 436001902 OJSCWAXNIGNOGB-UHFFFAOYSA-N 447.926 5.691 30 20 IKED COc1cc(F)c([C@H](C)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1OC 437037765 XGYZHAISDJMIJO-ZBEGNZNMSA-N 439.371 6.206 30 20 IKED CC(C)c1nccn1Cc1cccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 437734552 IGYLYYJOJWYZPA-DNQXCXABSA-N 427.552 5.358 30 20 IKED CN(c1ccccc1)C1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 438659764 HIDSGCNNICNFDI-UHFFFAOYSA-N 426.520 5.483 30 20 IKED C[C@H](Sc1ccccc1)c1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 438859431 CIBDWBBDBBBYNQ-IBGZPJMESA-N 443.576 5.161 30 20 IKED C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 439362874 WHHHRQZAJGYTQT-XUZZJYLKSA-N 439.559 6.132 30 20 IKED CCCc1c(NC(=O)C2(c3cccc(Br)c3)CC2)cnn1-c1cccc(C#N)c1 440078770 NMBPOHDERAQDCP-UHFFFAOYSA-N 449.352 5.129 30 20 IKED C=CCC[C@@H](NC(=O)NCc1cccc(C(=O)NC2CC2)c1)c1ccc(C(F)(F)F)cc1 441513692 JFVMLHWJFKQXAS-OAQYLSRUSA-N 445.485 5.104 30 20 IKED CN(Cc1cn(C)nc1C(F)(F)F)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 441678326 RRRWRRZEUXLUAV-UHFFFAOYSA-N 448.289 5.140 30 20 IKED CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c1 443874102 GQYWIIKGDPEKJK-UHFFFAOYSA-N 427.545 5.655 30 20 IKED Cc1nc(CSc2ccccc2C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cs1 443886841 UXDCFGRZTKDFTH-UHFFFAOYSA-N 433.480 5.887 30 20 IKED C=C(C)Cn1c(-c2ccccc2F)nnc1N(C)CC(=O)Nc1c(Cl)cccc1Cl 460371121 OLLJJKFIYBRAPY-UHFFFAOYSA-N 448.329 5.042 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H]1c1ccccc1OC 460565420 HXMZXJADKUDQAO-RSEQLOHWSA-N 444.579 5.450 30 20 IKED N#Cc1ccc(-c2nnc(N3CCC[C@H]3c3cccc(F)c3)n2Cc2cccs2)cc1 461501764 DVPLMGQHYBSOGJ-QFIPXVFZSA-N 429.524 5.407 30 20 IKED CC(C)(C)n1cc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c(-c2ccccc2Cl)n1 464424039 GHDRNXLRVJSHIJ-OAHLLOKOSA-N 446.860 5.862 30 20 IKED CN(CCCSCC#N)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 466737029 CJTOKBHHHSDBSM-UHFFFAOYSA-N 425.001 5.330 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)cc1Cl 468643723 SGODMYWTNGIPBU-VWNXMTODSA-N 435.911 5.071 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(c2ncccc2Cl)CC1 469940217 WVSQIPWQPNQAST-UHFFFAOYSA-N 433.964 5.778 30 20 IKED CC(C)(CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1Cl 470546101 JZRWEDPJQGCIQA-UHFFFAOYSA-N 438.959 5.022 30 20 IKED N#Cc1ccc(NC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1Cl 471069053 MJRXDVYEOKFMQM-UHFFFAOYSA-N 435.698 5.530 30 20 IKED N#C[C@@]1(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CCc2ccccc2C1 472295983 SKUNFNZEXSAPJY-HSZRJFAPSA-N 437.421 5.074 30 20 IKED CCOc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1F 473732561 JHZCLZKPGVNEHC-UHFFFAOYSA-N 447.466 5.193 30 20 IKED Cc1nc(C(C)(C)C)nc(O)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 474548094 SIIOCAZKDUMAON-UHFFFAOYSA-N 436.899 5.358 30 20 IKED Cc1c(NC(=O)C[C@@H](CC#N)c2ccccc2)cccc1C(=O)N1CCc2sccc2C1 474578453 UAACJCOMTKPEHH-HXUWFJFHSA-N 443.572 5.281 30 20 IKED N#CC[C@@H](CC(=O)N1CCC[C@H]1c1ccc(I)cc1)c1ccccc1 476198410 SPNMZLBWQBMTHV-ICSRJNTNSA-N 444.316 5.042 30 20 IKED CCN(C(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O)[C@H](C)c1ccc(C#N)cc1 476720284 SKJSHJSUIHFXAP-CQSZACIVSA-N 437.902 5.224 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(Cl)cc3Nc3ccccc3)CC2)o1 477146780 FXFKADOXMDOQDF-UHFFFAOYSA-N 435.915 5.107 30 20 IKED Cc1csc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1Cl 478861102 WIMJZLYPMYFXAX-UHFFFAOYSA-N 441.887 5.900 30 20 IKED O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 482427507 PVOLOZYHBPCBLE-SNVBAGLBSA-N 444.244 5.095 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3cc4ccccc4o3)o2)c1 484758654 ZCLCDKHNKJOLEY-QGZVFWFLSA-N 446.532 5.527 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Br)on2)c1 484799067 QQCXBOUWALZBSP-UHFFFAOYSA-N 436.187 5.247 30 20 IKED N#CCCCOc1cccc(NC(=O)c2coc(-c3ccc(Br)cc3F)n2)c1 486737554 UVKXVVVOYBWTAE-UHFFFAOYSA-N 444.260 5.178 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccc(F)cc1C(F)(F)F 487487615 IDZCPYPSQBDLRN-UHFFFAOYSA-N 427.291 5.514 30 20 IKED N#CCCN(Cc1cccnc1)C(=O)c1oc2ccccc2c1CSCc1ccccc1 490182733 QVYNJYCMKHJNGX-UHFFFAOYSA-N 441.556 5.817 30 20 IKED C=CCC[C@H](NC(=O)N(C)[C@H](CO)c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 491020296 NNHARBWMYMSJFJ-LEWJYISDSA-N 436.474 5.096 30 20 IKED COc1ccc([C@H](NCc2cc(C#N)ccc2Br)c2ccccc2OC)cc1 492695259 IIYZXHGCMGRWPX-QHCPKHFHSA-N 437.337 5.217 30 20 IKED CC(=O)Nc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(Cl)c1 498247039 FFAFGIOQKIAWJY-UHFFFAOYSA-N 435.936 5.715 30 20 IKED C=CCn1c(S[C@H](C)c2ccc(C(F)(F)F)cc2)nnc1[C@H]1COc2ccccc2O1 503678492 ZLJHQECZZVYOAF-AUUYWEPGSA-N 447.482 5.849 30 20 IKED Fc1ccc(NCc2nc(-c3ccc(C(F)(F)F)cc3)no2)c(OCC(F)(F)F)c1 504095626 RDCJPQJXMYXVEX-UHFFFAOYSA-N 435.299 5.448 30 20 IKED COc1ccccc1CN(Cc1cccs1)Cc1cn(CCC#N)nc1-c1ccccc1 506100169 ZWIBUOULNOQAFQ-UHFFFAOYSA-N 442.588 5.736 30 20 IKED C=CCn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 508740177 OSDCSMABNUSYIX-XLIONFOSSA-N 426.611 5.093 30 20 IKED C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(c2ccnn2CC)CC1 508812908 YBIVHJAEVFAZAJ-UHFFFAOYSA-N 443.020 5.010 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2c(-c3cccs3)nc3ccccn23)o1 509836002 RYIPRANWRDKSDI-UHFFFAOYSA-N 440.484 5.359 30 20 IKED CN(Cc1csc2ccccc12)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509887163 QFLLLBXZGPTJRM-UHFFFAOYSA-N 441.556 6.210 30 20 IKED C[C@H](NC(=O)CNc1ccccc1Oc1ncccc1C#N)c1ccc(Cl)c(Cl)c1 511077464 AXAMGSZIWRIVAW-AWEZNQCLSA-N 441.318 5.342 30 20 IKED CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511315331 NOIZGVXSICSKHD-UHFFFAOYSA-N 433.939 6.039 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)c1 512306902 VLCCJOXGMSICKM-QHCPKHFHSA-N 432.545 5.020 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)c1 513112911 HAQPGUJFIFELHX-UHFFFAOYSA-N 440.421 5.008 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)cc1Cl 514465799 HWPWFTWZOBENNC-IBGZPJMESA-N 448.935 5.678 30 20 IKED C=CCn1c(SCc2ccc(OCc3ccncc3)cc2)nnc1-c1ccccc1OC 517806578 PTHILZJHZZKOHM-UHFFFAOYSA-N 444.560 5.406 30 20 IKED Cc1[nH]c2ccccc2c1C1=CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 517961789 PRUQDFOVVVEIRP-UHFFFAOYSA-N 437.465 5.346 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCCC[C@H]2c2ccccc2C(F)(F)F)c1 520328944 RANHTVDNTNANEZ-QFIPXVFZSA-N 430.470 5.880 30 20 IKED COc1cc2nc(C)sc2cc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 522312175 JKFZMMPEKUTHCH-UHFFFAOYSA-N 429.501 5.316 30 20 IKED COc1ccc(-c2nc3c(s2)[C@H](Nc2nc(C(F)(F)F)ccc2C#N)CCC3)cc1 522408609 HWWQGWHNPCFZBN-OAHLLOKOSA-N 430.455 5.594 30 20 IKED COc1cc(CS[C@@H](C)C(=O)NCc2ccccc2)ccc1OCc1cccc(C#N)c1 523938877 IQAVTTCUXBBIAB-IBGZPJMESA-N 446.572 5.084 30 20 IKED COCCOc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)nc2ccccc12 533956775 ORRRDERTEOKTNX-LJQANCHMSA-N 443.528 5.182 30 20 IKED C=C[C@@H](CC(=O)Nc1cccc(NC(=O)COc2ccccc2OC)c1)c1ccccc1 535350556 NTBSOJOUZSFLFK-IBGZPJMESA-N 430.504 5.011 30 20 IKED C[C@H]1CN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c2ccccc2N(C)C1=O 536403708 RXMYIGKLLURHJO-INIZCTEOSA-N 445.906 5.263 30 20 IKED O=C(Nc1ccnc(OCC(F)(F)C(F)F)c1)c1cnc2ccccc2c1C(F)(F)F 538417138 HVVWZAKZMJCHSW-UHFFFAOYSA-N 447.310 5.180 30 20 IKED CC(C)S(=O)(=O)c1ccc(CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 541056643 MGKHXVSOBAJXNY-UHFFFAOYSA-N 436.552 5.082 30 20 IKED CC[C@H](C)n1ncc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C1CC1 542030080 JOAXAYDTDMVHNW-ROUUACIJSA-N 427.552 6.153 30 20 IKED CCc1nc(C)c([C@@H](C)N(C)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1 542086776 VXSGBLZUWYAMES-FUHWJXTLSA-N 432.593 6.016 30 20 IKED Cn1cc(-c2ccc(F)c(C(=O)N[C@@H](c3ccccc3C(F)(F)F)C(F)(F)F)c2)cn1 543854122 HMYWOSDSNLSMFW-KRWDZBQOSA-N 445.338 5.278 30 20 IKED CSCc1ccc(-c2noc(C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n2)cc1 545647991 OCMOGEXKDWYUQU-UHFFFAOYSA-N 447.520 5.103 30 20 IKED CCOCCCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(CC#N)CC1 549765266 FTRUPCVCIQRWSK-HXUWFJFHSA-N 447.583 5.128 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)N(C3CC3)[C@@H]3CCCC[C@H]3C3CCCCC3)CC2)o1 551586609 HCRXUFPHPOHAPA-LADGPHEKSA-N 438.616 5.201 30 20 IKED CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC(=O)c1ccc(C#N)cc1 557109275 SOKUUFYDXKDNDS-UHFFFAOYSA-N 442.302 5.256 30 20 IKED CCCNC(=O)c1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 558554510 DDCFBSGDSKIVIX-UHFFFAOYSA-N 435.471 5.103 30 20 IKED C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 558985089 OMUWZWIELMLGSE-LJQANCHMSA-N 448.514 5.103 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 579508085 XDOIXFQMABSUJN-HZPDHXFCSA-N 437.569 5.247 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 583800327 NIMXMVMZUGBGGZ-VWLOTQADSA-N 446.595 5.229 30 20 IKED Cn1ncc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1-c1ccccc1 588192046 PFCWAHQOIZPREL-UHFFFAOYSA-N 428.879 5.657 30 20 IKED Cc1nnc(Sc2ccc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)c(C)c2)s1 588906444 HOBMUABFPBTSDC-UHFFFAOYSA-N 426.542 5.233 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3sc(-c4ccccc4)nc3C(F)F)cc2)ccn1 589470193 VZMBPSOCOFZTLI-UHFFFAOYSA-N 448.454 6.059 30 20 IKED Cc1ccccc1-c1nc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cs1 589829963 AXHLYFOTBWEIMC-OAHLLOKOSA-N 446.557 5.198 30 20 IKED N#C[C@@H](Cc1ccccc1)Sc1nccn1-c1ccc(C(=O)NCc2cccs2)cc1 603725901 JWUSBIUOZDESSM-JOCHJYFZSA-N 444.585 5.091 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)s2)cc1 604513987 MCIHPYKRDJWWOX-UHFFFAOYSA-N 432.530 5.375 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CC2CCC2)[C@H](C)c2ccccc2)cc1 607201983 IAPKDRBGNPFUJG-OAQYLSRUSA-N 431.580 5.896 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2ccc(Oc3ccccc3)cc2)nnc1-c1ccncc1 607757687 VMPIQBFTZXFMLO-GOSISDBHSA-N 442.544 5.682 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1csc(-c2ccccc2)n1 609061692 VPPLKMLOVMIJDP-UHFFFAOYSA-N 439.540 5.750 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3)cc2)c1 609063620 HOZIIXRYTYRJKM-UHFFFAOYSA-N 428.879 5.229 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(Nc4ncccn4)c3)cc2F)c1 609109754 ANTJOAXODCMBJD-UHFFFAOYSA-N 439.450 5.062 30 20 IKED N#C[C@@H](NC(=O)Cc1c[nH]c2cc(Cl)ccc12)c1ccc(OCc2ccccc2)cc1 609174907 YOJFTZPNGNKOLV-XMMPIXPASA-N 429.907 5.324 30 20 IKED Cc1nc2cc(F)ccc2cc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609378442 MLWKYUWGMLMEOV-UHFFFAOYSA-N 433.430 5.959 30 20 IKED Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609378602 YHILPFWQAKAOBL-UHFFFAOYSA-N 438.519 5.362 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1CN1CCCC[C@@H]1C 609401838 BONYZBVHDIVFJM-PMACEKPBSA-N 436.625 5.634 30 20 IKED CCc1c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cnn1CC(C)C 611141524 JDTARHDDDHYXEC-UHFFFAOYSA-N 433.531 5.347 30 20 IKED N#C[C@@H](C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1ccc2ccccc2n1 618608685 HNVZYTNINHQALI-JOCHJYFZSA-N 439.540 5.748 30 20 IKED O=C(CC1CCC(C(F)(F)F)CC1)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 622545538 PPMNKNFTDHNEIZ-UHFFFAOYSA-N 425.388 5.751 30 20 IKED Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/C3=Cc4ccccc4OC3)cc2)cc1 726742667 VEGSFVFNKASZJM-OVCLIPMQSA-N 431.513 5.011 30 20 IKED Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cccc(OCCCC#N)c2)SC1=S 726801647 IWHJAAHHDBSYGO-UYRXBGFRSA-N 428.966 5.737 30 20 IKED CCc1nc(C(=O)N(CCC#N)c2ccc(C)cc2)nn1-c1c(Cl)cccc1Cl 726940439 TUXFUYJCPMLJDB-UHFFFAOYSA-N 428.323 5.005 30 20 IKED O=S(=O)(Nc1ccccc1)c1ccc(NN=Cc2csc(-c3ccsc3)n2)cc1 727061441 JCWHHQLNMJJRKO-UHFFFAOYSA-N 440.575 5.118 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC(c4cc5ccccc5[nH]4)CC3)o2)cc1 727992200 GBRPSGUHNUWVQB-UHFFFAOYSA-N 425.488 5.231 30 20 IKED Cc1ccc(S[C@@H](C(=O)OCC(=O)Nc2sccc2C#N)c2ccccc2)c(C)c1 730331461 ISQYRZSHWBQNRJ-OAQYLSRUSA-N 436.558 5.252 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)cc1 730396492 QXEWSTMZUYHOTC-DEOSSOPVSA-N 446.934 5.371 30 20 IKED N#C[C@@H](C(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1)c1nc2cc(F)ccc2s1 730417645 RDWGVIOHQVMPOG-AVRDEDQJSA-N 436.895 6.085 30 20 IKED COc1ccc(-c2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c(F)c2)c(F)c1 730990007 RBOYCIAXJJVMOY-HNNXBMFYSA-N 438.499 6.144 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@H]1c1ccc(Oc2cccnc2)c(C)c1 732747133 MFJGAXWDSSBCKJ-QHCPKHFHSA-N 449.963 5.355 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccccc2SCc2c(C)noc2C)c1 733787378 QFDXWNLBMJMNOM-LJQANCHMSA-N 435.549 5.195 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H](C)c2nc3ccccc3s2)cc1OCC 734164094 JQYORJQHDIJANC-AWEZNQCLSA-N 447.398 5.873 30 20 IKED CN(C[C@@H]1CCCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1)C(=O)OC(C)(C)C 737806788 LKLSGYUHIVTGCQ-FQEVSTJZSA-N 448.567 5.021 30 20 IKED CC(C)(CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)NC(=O)OC(C)(C)C 740534057 BPDGVBSFOGKEOB-LBPRGKRZSA-N 441.475 5.185 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccc(N4CC=CC4)cc3)c2)cc1 741061138 XLVSKLICYHCNLL-UHFFFAOYSA-N 438.531 5.030 30 20 IKED COc1ccc(/C=C\C(=O)c2ccc(S(=O)(=O)CC(F)(F)F)cc2)c2ccccc12 741851908 FMKVTUSJQOKZTC-WQLSENKSSA-N 434.435 5.081 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)cc1 742593763 UBCTZTAMWZEATJ-UHFFFAOYSA-N 426.451 5.412 30 20 IKED Cc1c(C(=O)/C=C/c2c(Cl)nc(Cl)n2C)cnn1-c1ccc(Cl)cc1Cl 743056495 WCEUXWVTQNZQOU-AATRIKPKSA-N 430.122 5.424 30 20 IKED COc1cc(/C=C(/Cl)c2nc(O)c3cc(-c4ccccc4)sc3n2)ccc1OCC#N 747163812 BZVYLSDFLGEITM-GZTJUZNOSA-N 449.919 5.712 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCCCC[C@H]3C[C@H](O)c3ccco3)c2)cc1 752105850 MNRYXTRMOYPZAX-ZCYQVOJMSA-N 444.531 5.239 30 20 IKED CCc1ccc(C(=O)/C=C\c2ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c2)o1 752237787 KBRQCQZTPQGGTP-FLIBITNWSA-N 439.895 5.418 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C 753903185 RWLPHSGRCLYLQD-UHFFFAOYSA-N 425.504 5.343 30 20 IKED N#CCCn1cc(C(=O)COC(=O)c2ccccc2CCC(F)(F)F)c2ccccc21 758918614 AFXIKXKUVULQOP-UHFFFAOYSA-N 428.410 5.090 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)c1 760774814 WIYRXQHSVBTORP-OFNKIYASSA-N 434.927 5.005 30 20 IKED CC(C)(C)n1cc(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c(-c2ccccc2Cl)n1 762312521 DSXJVLRTFCRLKN-QFIPXVFZSA-N 448.954 5.044 30 20 IKED CCc1cc[n+](/C(C(=S)Nc2ccc(C(C)C)cc2)=C(/O)c2ccc(C#N)cc2)cc1 762438300 MZFJHCSLMLLJSW-UHFFFAOYSA-O 428.581 5.855 30 20 IKED C[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1cc(F)c(Cl)cc1Cl 774810062 OTNMUFZBCAQCQS-RISCZKNCSA-N 429.282 5.020 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)Nc1ccccc1O[C@@H](C)C#N 780178401 SRZNWGATXOBYNB-ZDUSSCGKSA-N 443.334 5.268 30 20 IKED C[C@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1nnc(-c2cccc(Cl)c2)o1 783439993 HPJURPNWNLMMQK-AWEZNQCLSA-N 449.850 5.352 30 20 IKED N#C[C@@H](C(=O)CCc1cc(F)ccc1Br)C(=O)Nc1cccc2ccccc12 784830794 DEIDUDHTJUSTLA-SFHVURJKSA-N 439.284 5.022 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)[C@H](Sc3ccc(F)cc3)c3ccccc3)o2)cc1 785875313 FQLARNXPYLHPFZ-JOCHJYFZSA-N 445.475 5.324 30 20 IKED Cc1ccc2cc(C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)ccc2n1 787048953 JFBURMLTNJVMGK-SCLBCKFNSA-N 426.303 5.050 30 20 IKED COc1cccc([C@@H](C)CCCC(=O)[C@@H](C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)c1 789401996 AYIVBVXANCPJGA-HNAYVOBHSA-N 442.943 5.287 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 789719495 REOYGWMCTDUFRS-RUZDIDTESA-N 425.528 6.245 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN(CCC(F)(F)F)Cc2ccccc2)c1=S 790473525 PDRQGQGMBLCTPS-UHFFFAOYSA-N 447.530 5.464 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 790771988 LEDWHWTVLRFNBH-INIZCTEOSA-N 439.512 5.591 30 20 IKED Cc1cc([C@H](OC(=O)Cc2cccc(OCC#N)c2)C(F)(F)F)ccc1Br 792773559 GETLATVVUSJBQK-SFHVURJKSA-N 442.231 5.049 30 20 IKED O=C(Nc1cccc(/C=C2\C[C@H](C(=O)O)c3ccccc3C2=O)c1)c1ccc(Cl)cc1 806559344 AKACADCMHAKRLO-PFSBYRDKSA-N 431.875 5.431 30 20 IKED CC(=NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(S(C)(=O)=O)c(F)c1 814949030 QOWHECGLMRPXQC-UHFFFAOYSA-N 442.356 5.103 30 20 IKED Cc1ccc(Nc2nnc(S[C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)s2)cc1 826872597 PVXTZNFODPZZHU-QGZVFWFLSA-N 437.594 5.326 30 20 IKED Cc1nnc(SCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)c(C#N)c1C 869929969 KXUHMCXKHXDIFS-UHFFFAOYSA-N 436.151 5.310 30 20 IKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1 914547538 YFHMARWVQLCIAC-IBGZPJMESA-N 435.574 5.217 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cn2c(SC(F)F)nc3ccccc32)cc1 915199810 MUPVRGFQIQRKSC-IBGZPJMESA-N 448.498 5.645 30 20 IKED Cc1ccc(N2C(=O)/C(=C\c3cn(CCC#N)nc3-c3ccccc3)SC2=S)cc1 916140013 PEXREJIHYHTHNC-XSFVSMFZSA-N 430.558 5.178 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc(F)c(Cl)c1 916936249 FPZFXXTYDYIGNG-HNNXBMFYSA-N 448.306 5.146 30 20 IKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)C2)c1 917428597 CNOFJSKWMOWCPH-FPOVZHCZSA-N 444.560 5.239 30 20 IKED CC(C)(C)n1ncc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1C(F)(F)F 918128665 WNIBHQXZBGZIRE-SFHVURJKSA-N 426.442 5.565 30 20 IKED Cc1ccc(OCc2nc(C=Nn3c(S)nnc3-c3cccc(Cl)c3)cs2)cc1 920363726 HNCIPFWEWPZAEF-UHFFFAOYSA-N 441.969 5.113 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)C(F)(F)c3cccc(Cl)c3)s2)cc1 920999309 LFBYXSNEGFNDHL-UHFFFAOYSA-N 436.896 5.086 30 20 IKED Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3ccc(O)c(Cl)c3)cc2)cc1 921259443 SEUGNRGKEGVDSR-UUILKARUSA-N 427.909 5.051 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCn3nc(C)cc3C)CCC2)cc1 1785842019 CTBNZQBYIXPCJO-UHFFFAOYSA-N 436.600 5.017 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4nc[nH]c34)CCC2)cc1 1785842107 MQAWVYHUZQMVSH-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)cc2)CCC1 1790131245 ZGRSRZKMGJGHDZ-UHFFFAOYSA-N 434.927 5.054 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)c3ccc(C)cc3)cc2)CCC1 1791346929 NCCVJDZTOQXNLX-UXHICEINSA-N 435.568 5.034 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](CC)c2ccccc2)[C@@H]1c1cccnc1 1810171394 CXCRKHIQBWKZKE-BKKFENPESA-N 445.607 5.050 30 20 IKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 1826692145 FZOOXBHWMBUAMW-XMMPIXPASA-N 445.563 5.016 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2c(F)cccc2F)CC1 1830077262 IRZIUGGHFIASMT-QHCPKHFHSA-N 446.582 5.119 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)cc2F)CC1 1830466128 GHCSUKMDSZRZFQ-XMMPIXPASA-N 426.576 5.136 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c(C)c1)=C(/S)Nc1ccc(C(C)C)cc1 11262894 FWZJBJFEPOXLQY-UHFFFAOYSA-O 431.625 6.328 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(F)ccc2F)nnc1-c1ccc(Cl)cc1 16862765 JQCYFLONESBETK-GFCCVEGCSA-N 434.899 5.182 30 20 IKED CCCCC[C@H](C)n1c(SCC(=O)Nc2sccc2C#N)nc2ccccc2c1=O 21995411 QCDFSFGROWQJET-HNNXBMFYSA-N 440.594 5.202 30 20 IKED C=CCn1c(SCc2csc(-c3cccc(OC)c3OC)n2)nnc1-c1ccco1 22133775 LBWPMRFIHZRPDO-UHFFFAOYSA-N 440.550 5.157 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(CC)cc2)[n+]2ccccc2CC)cc1 22731020 IHSHGXOUPZFTNW-UHFFFAOYSA-O 433.597 5.549 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 62896786 NJKCWRAEOBLHNU-UHFFFAOYSA-N 445.479 5.009 30 20 IKED O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 113299441 IVVXAISITWBFSB-CQSZACIVSA-N 445.281 5.206 30 20 IKED O=C1/C(=C\c2csc(-c3ccccn3)n2)CC/C1=C\c1csc(-c2ccccn2)n1 206944259 IWCAHJHLHDYKHW-UKVBVZPVSA-N 428.542 5.554 30 20 IKED Cc1sc([C@H](C)NCc2cccc(OCCCC#N)c2)nc1-c1ccc(Cl)cc1 237495996 CQFCGIGXOWCXJV-INIZCTEOSA-N 425.985 6.305 30 20 IKED CCCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)cc1OCC 301768201 ZNAFUEZAFFBFBH-MRXNPFEDSA-N 425.916 5.294 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3ccc(OC)cc3)no2)nnc1-c1cccc(C)c1 426507264 JONXQVLMDOYEIC-INIZCTEOSA-N 433.537 5.351 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC(C)(C)[C@H]1c1ccncc1 432846450 JZBZPEVRGRWZBB-XMMPIXPASA-N 426.520 5.456 30 20 IKED CN(C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[C@@H](c1ccccc1)c1ncc[nH]1 432991538 FZLIDRYTDVFPGW-QHCPKHFHSA-N 441.466 5.466 30 20 IKED O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 435354445 MFGUKWGHTDKBHS-SNVBAGLBSA-N 426.357 5.340 30 20 IKED CC(C)Oc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1C#N 435390911 QSUFSATVWSVJRU-UHFFFAOYSA-N 439.924 5.565 30 20 IKED O=C(N1CCC(C(F)(F)F)(C(F)(F)F)C1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 439107889 MWYITORXHZHPCM-UHFFFAOYSA-N 449.313 5.251 30 20 IKED C[C@@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)Nc1ccccc1C(F)(F)F 439672618 LRXDDYQGPNYWSG-CQSZACIVSA-N 443.400 5.948 30 20 IKED COc1cccc(/C=C(\CC(=O)N(C)c2ccc(C#N)cc2)c2nc3ccccc3s2)c1 440049423 JDMVYLNVZUOGTF-XSFVSMFZSA-N 439.540 5.770 30 20 IKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1 442102686 YHCSMRQFAADZIO-OXQOHEQNSA-N 444.000 5.576 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OCc4ccccn4)cc3)n2)cc1 442856348 DEYXKPKMEFPXKG-JOCHJYFZSA-N 441.512 5.283 30 20 IKED C=CCN(C(=O)CCC1CCOCC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 443861641 LDVILQLECNQGFS-UHFFFAOYSA-N 425.381 5.843 30 20 IKED CC(C)C[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)c1cccc(C(F)(F)F)c1 447125214 KFLVVOVVBSWESK-QGZVFWFLSA-N 437.849 5.073 30 20 IKED CC(=O)N(CCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1)Cc1ccccc1 460343661 PWHKFFBRZDDAHP-UHFFFAOYSA-N 445.950 5.184 30 20 IKED N#CCCSc1ccccc1NC(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 463792932 DDAYNWGIYLNBKT-UHFFFAOYSA-N 444.491 5.801 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccccc2-c2nncn2C(C)C)cc1 464736865 UQDXWESUPUKPTN-UHFFFAOYSA-N 437.503 5.751 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ncoc2-c2ccccc2)cc1 467606077 NBSTYYLGBZLFJD-UHFFFAOYSA-N 425.513 5.436 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N(CCC(F)(F)F)CC(F)(F)F)cc2)cc1 468519214 ZJCQQTZGBKCGLW-UHFFFAOYSA-N 430.348 5.502 30 20 IKED COc1cccc([C@H](C)CCCC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 468809053 DCGNKQPOMVKAAW-LJQANCHMSA-N 433.552 5.191 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 470649433 SUBNZPKPMQTLMD-UHFFFAOYSA-N 444.497 5.163 30 20 IKED COc1ccc(-c2cc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)ccc2OC(F)F)cc1 470737577 QBJYYOLPKWQIOY-LJQANCHMSA-N 447.441 5.156 30 20 IKED C=CCC[C@@H](NC(=O)N1CC[C@]2(C1)OCc1ccccc12)c1ccc(C(F)(F)F)cc1 472755405 WMBYARGNDKLETI-FYYLOGMGSA-N 430.470 5.554 30 20 IKED Cc1cc(-c2noc([C@@H](C)NC(=O)Nc3ccccc3S[C@@H](C)CC#N)n2)ccc1F 473824758 VZKZRCFLEWLELX-LSDHHAIUSA-N 439.516 5.461 30 20 IKED CC(C)Oc1cc(Br)cc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c1 473931532 HMTISACXDJPATB-HNNXBMFYSA-N 427.220 5.140 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 475173315 HKSVURSMWDTLGB-UHFFFAOYSA-N 447.510 5.229 30 20 IKED N#CC[C@H](CC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1)c1ccccc1 476335746 LCENPCZQNWSXPK-OAQYLSRUSA-N 437.465 5.717 30 20 IKED Cc1nc(SCC(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)c(C#N)c(C)c1C 480892969 BKATXBMYUDNNCI-QFIPXVFZSA-N 447.608 5.265 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 481057860 LWRSWRCISRFRHY-UHFFFAOYSA-N 441.940 5.513 30 20 IKED O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)N(CCC(F)(F)F)CC1CC1 482428294 AMWAZKMUFRJUKM-CYBMUJFWSA-N 436.318 5.683 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@H](C#N)c1cnc2ccccc2n1 483214196 XBGBJDIPNDYPHE-OAHLLOKOSA-N 446.919 5.396 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(-c4n[nH]c(C5CC5)n4)cc3)c2)cc1 483230323 PRDIFMJKMYDHDE-UHFFFAOYSA-N 449.514 5.246 30 20 IKED C[C@@H](c1ccc2ccccc2c1)N(C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)C1CC1 483599385 FDAKVPYDISIQQU-MSOLQXFVSA-N 447.560 5.283 30 20 IKED CC[C@@H](C)n1ncc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1C 483698714 HMFXHQYVNQPISY-OAHLLOKOSA-N 437.931 5.911 30 20 IKED CN(C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1cccc(OC(F)(F)F)c1 483804849 QXVDFDSYIXSNJW-UHFFFAOYSA-N 447.310 5.205 30 20 IKED CN1CC[C@@H](NC(=O)c2ccccc2Sc2ccccc2C#N)[C@@H]1c1ccc(F)c(F)c1 485723993 QQHTXVIJDQEOHU-QPPBQGQZSA-N 449.526 5.163 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2ccco2)cc1Cl 487062834 QYTQFAGDLMAZBQ-RBBKRZOGSA-N 447.922 5.222 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCCCc2nc3ccccc3s2)cc1 487876171 QITFZFKDGZVKRY-UHFFFAOYSA-N 431.483 5.472 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C(=O)Nc3ccccc3)c3ccccc3)o2)cc1 489799004 RRPRZTKVRAXHGI-QFIPXVFZSA-N 443.528 5.774 30 20 IKED C[C@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 495544544 CRYLGYYBAIRWET-HNNXBMFYSA-N 428.517 5.212 30 20 IKED N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1nc(-c2ccc(Cl)cc2)cs1 496571892 LHJMGYPTFIGBHI-AWEZNQCLSA-N 449.822 5.463 30 20 IKED N#C[C@@H](NC(=O)c1ccc([C@@H]2CCCOC2)cc1)c1ccc(OCc2ccccc2)cc1 504539260 PWELQWQTQVVISL-AOYPEHQESA-N 426.516 5.154 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 505045721 KXXLFVIKIPZXIC-HXUWFJFHSA-N 433.321 5.312 30 20 IKED N#C[C@@H](NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1cccc(C(F)(F)F)c1 505971204 NPXKYHOTICLWMU-FBPXKMNZSA-N 449.517 5.032 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CC[C@@H](C(F)(F)F)C3)s2)c(C(F)(F)F)c1 507658966 IHNVKADDCBLXCM-QWHCGFSZSA-N 447.404 5.541 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)cc1 507828230 ULKIAMCZBIFSRX-IBGZPJMESA-N 443.547 6.230 30 20 IKED CN(Cc1nc2ccccc2s1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510007429 XZQOQWPKSKXCTB-LJQANCHMSA-N 446.963 6.269 30 20 IKED N#C[C@@H](C(=O)c1ccccc1OCc1ccccc1Cl)c1ccc(C(F)(F)F)cn1 513214176 LICLQFXAPUQENE-QGZVFWFLSA-N 430.813 5.823 30 20 IKED Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cccc(COc2ccccc2C#N)c1 513493081 QARZIDBWCWZGHE-UHFFFAOYSA-N 447.538 5.683 30 20 IKED N#Cc1cc(NC(=O)CCc2nc3cc(Cl)ccc3s2)ccc1OCC(F)(F)F 515482313 NWOVJGZFMAYVPQ-UHFFFAOYSA-N 439.846 5.334 30 20 IKED COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 517934421 SCKQBFFCFYCNBV-QZTJIDSGSA-N 445.519 5.046 30 20 IKED CCC(CC)[C@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccs1 518252914 LECMMHGYJGTDOR-YWZLYKJASA-N 429.611 5.375 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)cc1C 518894826 GRCRUUNUVUSZHU-UHFFFAOYSA-N 439.519 5.605 30 20 IKED COCc1cccc2sc(NC(=O)c3ccccc3Sc3ccccc3C#N)nc12 519133095 KYJYJEGBFXQEIY-UHFFFAOYSA-N 431.542 5.718 30 20 IKED CN(C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C1(C#N)CCC1 520014993 VQQRORNTXQTKOA-GHRIWEEISA-N 432.505 5.040 30 20 IKED N#CCCSc1ccccc1NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 520804428 MZJFUCVNNLRDNP-UHFFFAOYSA-N 447.507 6.016 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 521748342 SORLPIQGJMLGAO-RPVQJOFSSA-N 430.371 5.378 30 20 IKED N#C[C@H](C(=O)c1ccc(=O)n(-c2cccc(F)c2)c1)c1nc(-c2ccc(Cl)cc2)cs1 530723363 UNJGVBCDBDBSLT-LJQANCHMSA-N 449.894 5.244 30 20 IKED Cc1ccnc(-c2cccc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)c2)n1 532313220 QVRQGDHGXCDNMF-UHFFFAOYSA-N 436.519 5.098 30 20 IKED CCCN1C(=O)CCc2cc(NCc3cccc(OCc4cccc(C#N)c4)c3)ccc21 536894201 QSQOXPFZTGLVOW-UHFFFAOYSA-N 425.532 5.439 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)Nc1cc(C)n(CCC#N)n1 539715697 OHVWTIRZDDRPEB-AWEZNQCLSA-N 428.949 5.073 30 20 IKED Cc1cccc([C@@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c2ccccn2)c1 541101588 ZPZYWDQKWWBLFP-HSZRJFAPSA-N 442.910 5.012 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@@H](Cc2ccccc2Cl)c2ccccc2)CC1 548900851 DUFZLKKSGGRJQS-QHCPKHFHSA-N 444.966 5.286 30 20 IKED N#Cc1cccc(-c2nnc(N3CCC(c4ccc(Cl)cc4)CC3)n2C[C@@H]2CCCO2)c1 549887667 FTTDFQSWJCQDEY-QHCPKHFHSA-N 447.970 5.033 30 20 IKED C=C(C)[C@@H](NC(=O)N[C@H](c1cncc(Br)c1)C1CC1)c1ccc(F)c(F)c1 551295473 VOYVPCSGHCGMJV-MOPGFXCFSA-N 436.300 5.190 30 20 IKED C[C@H](NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccc(C#N)cc1 556405154 UYRKJKFFICQTDE-BTYIYWSLSA-N 431.458 5.105 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 556463184 WAJUNUWXJGASQU-IFMALSPDSA-N 425.960 5.094 30 20 IKED N#C[C@@H](C(=O)c1ccccc1SCc1cscn1)c1nc2cc(Cl)ccc2s1 559067641 FNMKSLCZKDOKNJ-HNNXBMFYSA-N 441.990 6.189 30 20 IKED COc1cccc(C2=CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)C2)c1 561647020 BODJAQSYROCAPY-UHFFFAOYSA-N 429.451 5.429 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCc4cc(Cl)cc(Cl)c4C3)cc2)ccn1 568452157 LICCUINMRLZMSZ-UHFFFAOYSA-N 439.302 5.643 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C(=O)c2ccccc2)CC1 571181968 CCGRNBJMBNZGMW-LJQANCHMSA-N 448.542 5.233 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)cc2)ccn1 571812529 NWAAJNGFDBYAJJ-QHCPKHFHSA-N 444.491 5.857 30 20 IKED N#C[C@H](CCc1ccccc1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 573749893 DUKLBTPJTOUORR-RBBKRZOGSA-N 430.470 5.062 30 20 IKED Cc1nnc(Sc2ccc(NC(=O)c3sc4ccc(C#N)cc4c3C)c(C)c2)s1 578556842 QKXYZEFIICIXCN-UHFFFAOYSA-N 436.587 5.953 30 20 IKED C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)Nc1ccccc1SC[C@H](C)C#N 584131804 YUHRIYLUYAPUAE-CVEARBPZSA-N 435.515 6.052 30 20 IKED C[C@H]1[C@H](C)CN1CC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccccn1)CC2(C)C 590196570 XUXZODXCUOAJDP-DSPBCKRPSA-N 432.593 5.072 30 20 IKED COc1ccc(C(=O)CCCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 590479701 NGWGSFRRDJQYHL-UHFFFAOYSA-N 446.478 5.277 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)c2C#N)C1 590612924 DQBTYXNOTNUYCW-ZDUSSCGKSA-N 448.514 5.013 30 20 IKED CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603765742 XKJNGHTUYAOPGU-UHFFFAOYSA-N 443.488 5.078 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)c1C 603906200 WSVUVRAPTWHTHW-UHFFFAOYSA-N 448.592 5.690 30 20 IKED Cc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1NC(=O)c1ccco1 603968456 UMKXWPKEWKMJLN-UHFFFAOYSA-N 427.485 5.693 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c1 604327279 DNFYNUGMTKNABT-OAQYLSRUSA-N 437.499 5.298 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3ccnc(OCC(F)(F)F)c3)c2)cc1 609209274 ZGPKUMMVUXWVGP-UHFFFAOYSA-N 442.397 5.008 30 20 IKED CCCN(C(=O)c1cccc(OCc2csc(C)n2)c1)c1cc(Cl)ccc1C#N 609286368 VQJWJHJVFJBPCN-UHFFFAOYSA-N 425.941 5.612 30 20 IKED COc1ccc(-c2noc(CCCC(=O)Nc3ccccc3S[C@H](C)CC#N)n2)cc1 609427708 DQPXLZIYAHEVNS-MRXNPFEDSA-N 436.537 5.101 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3cccc4c3OCCO4)cc2)c1 609433777 HWMLUMHKUKIDPQ-QHCPKHFHSA-N 441.487 5.491 30 20 IKED CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 609694463 XTVDGSVQXOSNBT-WJOKGBTCSA-N 448.613 6.009 30 20 IKED Cc1ccc(OC2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)CC2)cc1 609743883 PFKGMBOCRDXHIJ-UHFFFAOYSA-N 428.492 5.129 30 20 IKED Cc1cc(Br)ccc1NC(=O)CCNc1ccc(C#N)cc1C(F)(F)F 609962882 NMOJFWRZOUETIX-UHFFFAOYSA-N 426.236 5.089 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)cc2)nn1 610492409 SABUKINHLZPQHI-UHFFFAOYSA-N 438.512 5.853 30 20 IKED N#C[C@@H](NC(=O)c1ccccc1Oc1cccnc1)c1ccc(OCc2ccccc2)cc1 611249422 GSYXFUVPYPDGLQ-RUZDIDTESA-N 435.483 5.448 30 20 IKED CCCCOc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC 613405021 ZOQRXOWFPJTJPL-HNNXBMFYSA-N 448.466 5.993 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4cccc(F)c4F)CC3)cn2)cc1 613761808 UTDYWNHKPPWFMZ-UHFFFAOYSA-N 434.446 5.435 30 20 IKED N#C[C@@H](C(=O)c1ccccc1OCc1cccc(Br)c1)c1nc2ccccc2o1 614439702 DFGQSMCYYGAOKC-SFHVURJKSA-N 447.288 5.659 30 20 IKED O=C(CC1CC(F)(F)C1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517271 FDUZZNFPJVQCKL-AWEZNQCLSA-N 431.323 5.060 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(-c4ccccc4Cl)s3)n2)cc1 622978240 KQZDLLZRINDBPS-INIZCTEOSA-N 446.944 5.949 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](OC1CCCC1)c1ccccc1 726913341 BTMCRQJDRHRAPA-DEOSSOPVSA-N 427.504 5.693 30 20 IKED CC(=O)Nc1c(C)cccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 729373109 FFDGMZJWZCMQCO-UHFFFAOYSA-N 433.895 5.310 30 20 IKED N#C[C@H](C(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc2ccccc2n1 729889903 FSYSQYBYRFQMFE-AWEZNQCLSA-N 441.737 6.355 30 20 IKED CCOC(=O)c1sc(NC(=O)c2ccc(-c3ccc(OC)cc3)cc2F)c(C#N)c1C 730160023 ANPFQNVZTUQKJD-UHFFFAOYSA-N 438.480 5.172 30 20 IKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 730418393 VBVJOPJDMADPNX-HNNXBMFYSA-N 442.313 5.407 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1nc2cc(F)ccc2s1 730421619 MSJQULLHZDAEBG-OAHLLOKOSA-N 427.913 5.631 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3nc4cc(Cl)ccc4s3)n2)cc1 730687194 LPVHDFVDTLFEHJ-INIZCTEOSA-N 437.977 6.191 30 20 IKED Cc1ccc2sc(N(Cc3ccccc3)C(=O)Cc3ccc(OCC#N)cc3)nc2c1C 731960484 GCJDWLJIORPAAP-UHFFFAOYSA-N 441.556 5.591 30 20 IKED CC(C)n1cc(/C=C2\CCc3nc(-c4ccc(Br)cc4)sc3C2=O)cn1 732714612 VYHZKSVQHNWZPI-OQLLNIDSSA-N 428.355 5.563 30 20 IKED Cc1ccccc1[C@H](OC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1cccs1 733689354 VWIQUKNRPUMUIH-VWLOTQADSA-N 432.545 5.416 30 20 IKED Cc1cccc(-c2nnc([C@H](C)OC(=O)c3cccc(COc4ccccc4C#N)c3)o2)c1 734200236 VBWGBZKGXKGPGM-SFHVURJKSA-N 439.471 5.414 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3Cl)c2C#N)C1 740775126 PYRJWFOOIZKSES-GFCCVEGCSA-N 445.972 5.997 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N(C)C(=S)Nc2ccc(C#N)c(Cl)c2)cc1 741510340 UEKSCIQVBWOANU-INIZCTEOSA-N 435.980 6.277 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cc2cc(F)ccc2o1 741758616 VZHAUXIYMIORMZ-UHFFFAOYSA-N 437.883 5.854 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1nc(-c2ccc(Cl)cc2Cl)cs1 744034411 BVXSUIOFTMYLPG-QLFBSQMISA-N 449.309 6.375 30 20 IKED COc1cc(NC(C)=O)ccc1C(=O)/C=C/c1cc(C)c(OCc2ccccn2)c(C)c1 747693883 QLYZDPCZOYJEQR-DHZHZOJOSA-N 430.504 5.141 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(SC(F)F)c(OC)c2)ccc1OCC(F)(F)F 750910912 WGJRXODRCPUUPN-ZZXKWVIFSA-N 448.409 5.856 30 20 IKED C#CCN(C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1)C1CCCC1 757179449 CCOMNYBRYOOVTI-UHFFFAOYSA-N 439.353 5.028 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cc(Cl)ccc2O)cs1 757467718 IKVQNIQYJQDNJZ-WEVVVXLNSA-N 433.316 5.736 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(Br)c(F)cc2F)cc1 757835459 DYJFSFYHKUMHFQ-KRWDZBQOSA-N 427.248 5.635 30 20 IKED N#C[C@H](C(=O)CCc1nnc(C2CCCC2)o1)c1nc2cc(C(F)(F)F)ccc2s1 761047710 KCRYXQDTPHRHTA-CYBMUJFWSA-N 434.443 5.165 30 20 IKED N#Cc1cccc(-c2nnc(CNc3cc(Cl)c(OCC(F)(F)F)c(Cl)c3)o2)c1 762474416 RMQDGCUZAZZDDG-UHFFFAOYSA-N 443.212 5.468 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cccc(SC(F)F)c2)nnc1-c1ccco1 765402458 IODHFCVYKZUMBI-UHFFFAOYSA-N 436.509 5.160 30 20 IKED C[C@H](CC(F)(F)F)NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl 766921684 AEHLBVBTWFKHDT-MRVPVSSYSA-N 449.729 5.250 30 20 IKED Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(N[C@H](C)c3ccc(C#N)c(F)c3)cc2Cl)n1 777654112 ZHVVEOBFWKZRCL-CVEARBPZSA-N 439.922 5.537 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1sc2cccc(F)c2c1COc1ccccc1 780150254 USGLIWCPBKQKTK-MRXNPFEDSA-N 446.503 6.163 30 20 IKED N#C[C@H](C(=O)NCc1ccccc1)C(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 780305424 KEQVJCFPMUJKBP-SFHVURJKSA-N 445.931 5.256 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Nc2ccccc2O[C@H](C)C#N)cc1 780539247 VEPZTEXOOZICIQ-MRXNPFEDSA-N 428.448 5.294 30 20 IKED N#CC1(COC(=O)[C@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)CCOCC1 780547221 JUIRUAOQUISJPA-LJQANCHMSA-N 436.360 5.690 30 20 IKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cnn1C1CCCCC1 781447046 ATBJWICFFURFDJ-OAQYLSRUSA-N 442.519 5.450 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)O[C@@H](C)c3ccc(Cl)c(C(F)(F)F)c3)CC2)o1 790895521 OUACAENAPFWOLD-NSHDSACASA-N 441.837 5.048 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)Cn2c(COc3ccccc3)nc3ccccc32)s1 797568051 OCVJYAOLADGVRF-GOSISDBHSA-N 444.560 5.246 30 20 IKED N#CC1(CCCOC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CCOCC1 800127989 YHLUHQDBRJGCSE-UHFFFAOYSA-N 437.323 5.225 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F 806280162 APSDBRDPZQCVGE-UHFFFAOYSA-N 445.539 5.560 30 20 IKED C=CC[C@H](NC(=O)NCc1ccc(Oc2cc(OC)cc(OC)c2)cc1)c1ccncc1 806819236 NSOBIKNKAPWEFJ-DEOSSOPVSA-N 433.508 5.008 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)C2(Cc3cccs3)CCCCC2)ccc1OC 810401277 YLLKHEBBIDCXCK-LJQANCHMSA-N 426.582 5.247 30 20 IKED COc1ccc(/C=C/C(=O)c2c[nH]c3ccc(Br)cc23)cc1OCCCC#N 811698111 OSXAZZMKJHOJIE-XBXARRHUSA-N 439.309 5.518 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)cc1 815799012 BCALWPUCSUYYMX-DQEYMECFSA-N 435.527 5.034 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COc2ccc(Br)cc2F)cc1 915087289 RNKWIBJGPXYAEE-IBGZPJMESA-N 439.284 5.261 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCNC(=O)c3ccc(Cl)cc3)n2)cc1 915102280 VDVLIDIPYDMRAH-LJQANCHMSA-N 437.952 5.158 30 20 IKED CC(=O)Nc1ccc(O)c(C(C)=NNc2nc(C)nc3sc(-c4ccccc4)cc23)c1 915943215 ZCNYURUKAGVLEF-UHFFFAOYSA-N 431.521 5.167 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(C4SCCCS4)cc3)cn2)cc1 916073894 IURYGLQRGQQPLS-UHFFFAOYSA-N 433.558 5.867 30 20 IKED CC(=NNc1nc(-c2ccccc2)cs1)c1ccc(OCC(=O)N2CCCCC2)cc1 916545213 BRBVGDINDGLROL-UHFFFAOYSA-N 434.565 5.038 30 20 IKED N#C[C@H](C(=O)CN1CCC[C@@H]1c1cccc(Br)c1)c1nc2ccccc2s1 917163101 BVRHWHYTPXJPDK-SJLPKXTDSA-N 440.366 5.072 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(OC(F)F)cc2)cs1 917562198 VKONHULJSSCHST-KPKJPENVSA-N 428.460 5.634 30 20 IKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cccc(Cl)c2)cc1 917613175 MEXDRPTVQOWOGX-UHFFFAOYSA-O 448.999 6.120 30 20 IKED N#C[C@@H](COC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Cc1ccc(F)cc1 920876112 BOSWQTNMOYZZFH-HNNXBMFYSA-N 447.293 5.646 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CC2CCC(C)(C)CC2)C1 1780813929 JRGPTUKBISYBPQ-AJTFRIOCSA-N 446.676 5.099 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cnc5ccc(Cl)cc5c4)CCC3)cc2)C1 1785810537 YCVTWKPKBRUTCJ-UHFFFAOYSA-N 445.950 5.602 30 20 IKED CC1(C)CCc2cccc(C(=O)Nc3ccc(C4(NC(=O)C(C)(C)C#N)CCC4)cc3)c2O1 1788495902 GLTCTZGQHXKKDN-UHFFFAOYSA-N 445.563 5.088 30 20 IKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)cn1C 1788795729 JCEYIMVVQJGMSW-UHFFFAOYSA-N 449.671 5.132 30 20 IKED Cc1nc2cccc(C(=O)Nc3ccc(C4(NC(=O)C5(C#N)CCC5)CCC4)cc3)c2s1 1788944356 DXVJGFPXLDIKNF-UHFFFAOYSA-N 444.560 5.046 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1cccc(C(F)(F)F)c1 1793936276 SXTUTHIYJPXAFC-UAFXNKMXSA-N 446.513 5.125 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(C)cccc2C)[C@H]1c1cccnc1 1811405205 ZJJHYILNZHMPOH-ISKFKSNPSA-N 433.596 5.010 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)CCCCC)[C@@H]1c1cccnc1 1812694916 YDYKZQFRDHCVMV-ZTCOLXNVSA-N 425.617 5.072 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(C)cccc3[nH]2)n[nH]1 1819054963 PVHWZAMWZLJQJY-MBSDFSHPSA-N 445.567 5.274 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCCCC(C)(C)C)[nH]n1 1820976195 HSEVEYARQGDNOF-ICSRJNTNSA-N 447.624 5.199 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2C)CC1 1823924665 DGJRGQLGWJOGFZ-DEOSSOPVSA-N 426.576 5.136 30 20 IKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)CCC3CCCC3)CC2)cc1 1826264094 BAUCDQKJAIRFNY-SANMLTNESA-N 449.639 5.081 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C(F)(F)F)coc2C)CC1 1827856556 XDLNKEBNOLEHCA-KXBFYZLASA-N 440.506 5.052 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)CC1 1828040217 YBTJECQZKKUHIZ-XMMPIXPASA-N 435.612 5.394 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 1831373380 CUNOSMOLVLDLPN-DYESRHJHSA-N 436.518 5.151 30 20 IKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCC#N)CC2)c2ccccc12 1832997675 RMVKOUSLNHFYQF-AREMUKBSSA-N 445.607 5.004 30 20 IKED Cc1cc(C)c(NC(=O)COC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(C)c1 9073530 BDRZGRBPXIVOEE-UHFFFAOYSA-N 444.556 5.571 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cc(C)sc2C)=C(\S)Nc2ccccc2C(F)(F)F)c1 11158121 WVAZWXCKAUBTAI-UHFFFAOYSA-O 449.543 6.031 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)nnc1-c1ccoc1C 21283932 SRRLXXQNTYQTQG-QGZVFWFLSA-N 438.597 5.201 30 20 IKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(Nc2ccc(F)cc2)CC1 63584338 XKAPJFZBEWINFO-UHFFFAOYSA-N 434.355 5.580 30 20 IKED COc1ccc(CN[C@@H](c2ccc(Br)cc2)C2CCC2)cc1OCCCC#N 64614509 HXSAAIPLLIMMRK-HSZRJFAPSA-N 443.385 5.771 30 20 IKED Cc1ccccc1-c1nnc(SCc2cn3ccccc3c2C#N)n1Cc1ccco1 97013071 HXKTYDIJXAPOMB-UHFFFAOYSA-N 425.517 5.312 30 20 IKED CCc1cccc(CC)c1-n1c(-c2cccnc2)nn(CN(CC)C[C@@H](C)C#N)c1=S 110491963 IFGNELWNANWXTN-SFHVURJKSA-N 434.613 5.029 30 20 IKED COc1cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)ccc1OC1CCCC1 410350959 GDMACLVTAKDGDL-UHFFFAOYSA-N 443.503 5.636 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Nc1cccc(NC(=O)C2CCCCC2)c1 426176496 NOLKIXGIZHYWSH-GOSISDBHSA-N 425.598 5.282 30 20 IKED N#Cc1ccc(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)c(Cl)c1 430351966 KDOIRLYHFINPFV-SQJMNOBHSA-N 443.934 5.330 30 20 IKED Cc1c(C#N)cccc1NC(=O)C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 431971140 GDPRQPRHHORDCN-UHFFFAOYSA-N 438.314 5.018 30 20 IKED C=CCC[C@H](NC(=O)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1)c1ccccc1 435096184 VENPSYKJEHNHMV-SANMLTNESA-N 445.607 5.307 30 20 IKED Fc1ccc(-n2cc(CN[C@@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)cn2)cc1 436411016 OZCCEFCDOAVIRL-SFHVURJKSA-N 431.355 5.814 30 20 IKED C[C@H](N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1nc(C(F)(F)F)cs1 437042954 ZVNWPXWJOHRTFA-KWQFWETISA-N 436.343 6.525 30 20 IKED CC[C@@](C)(NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1nc(C)cs1 437886733 CGSSTKJTAUIJIV-HSZRJFAPSA-N 433.537 5.022 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H](c2ccccc2)c2cccnc2)cc1F 438668917 PQJWAGXNAGSUQY-RUZDIDTESA-N 438.462 5.796 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 438920883 UYYSTUGKZJIZOV-RBUKOAKNSA-N 432.511 5.949 30 20 IKED N#CCC[C@H](NC(=O)C(=O)Nc1cccc(CSC2CCCCC2)c1)c1ccccc1 439426351 BIKXCROFDUNWPH-QHCPKHFHSA-N 435.593 5.352 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1 440305632 TZODCRHSYJDEBG-UHFFFAOYSA-N 435.915 5.583 30 20 IKED COc1ccc(-c2ncc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)s2)cc1 442868126 BPKWSTNYRFSASO-GOSISDBHSA-N 442.525 5.304 30 20 IKED C=CCN(C(=O)CSc1ncco1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 446070005 IWZZCMPXKYPIPO-UHFFFAOYSA-N 426.350 5.416 30 20 IKED Cc1cc(C)c2ncc(C#N)c(N3CCC[C@@H](c4nc(-c5cccc(F)c5)no4)C3)c2c1 462805021 UHBKTRRIKMCVOP-GOSISDBHSA-N 427.483 5.296 30 20 IKED CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 463150775 XXAFVBYFZSTCEG-UHFFFAOYSA-N 431.467 5.727 30 20 IKED CC(C)OC(=O)C[C@H]1CCCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1 463838764 ZXCYZXQVGCBLLC-QGZVFWFLSA-N 440.927 5.198 30 20 IKED CC(C)(C)[C@@H](C#N)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 464709231 HUYCUYPIWIZGEI-QGZVFWFLSA-N 437.443 5.433 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)nc2sccc2c1=O 466611981 WGZUOHSTUKKFPF-LLVKDONJSA-N 430.942 5.201 30 20 IKED CCOC(=O)c1ccc(C#N)c(S[C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)n1 466717890 GOUPCPWODNXLOP-SNVBAGLBSA-N 449.319 5.340 30 20 IKED O=C(c1ccc(-c2ccccc2OC(F)(F)F)o1)N(CCC(F)(F)F)CC(F)(F)F 468515482 FTUQUZRAWXVWDQ-UHFFFAOYSA-N 449.269 5.802 30 20 IKED N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)cc1 470889218 CQFSXLPVVIMDAQ-QGZVFWFLSA-N 436.393 5.085 30 20 IKED CC(C)(C)OC(=O)CCc1cccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 471351144 TYXZMJWKLFNOJV-DHIUTWEWSA-N 433.552 5.265 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CC=C(c4c(F)cccc4F)CC3)s2)cc1 472133303 WBLOTKAXNDPFKN-UHFFFAOYSA-N 436.487 5.205 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 472464778 SRQHAZUBKOQLOC-ZCYQVOJMSA-N 444.506 5.047 30 20 IKED Cc1noc(C)c1CSc1ccccc1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 477299758 GMQAAFUMPRWETB-UHFFFAOYSA-N 444.478 5.384 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)C[C@H](c3ccccc3)C(F)(F)F)s2)cc1 482152442 LAQUYHCDEASHGA-MRXNPFEDSA-N 448.495 5.377 30 20 IKED CCOc1cc(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)ccc1OC(F)F 482905129 FCWBGXZCVMRNTO-UHFFFAOYSA-N 438.430 5.281 30 20 IKED CCCN(CCC)C(=O)c1cccc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)c1 482993240 LSGHEPCSGTVHOK-UHFFFAOYSA-N 445.485 5.025 30 20 IKED Cc1nc(-c2ccc(Br)cc2)c(NC(=O)C[C@@H](CC#N)c2ccccc2)n1C 483646654 AHRFSASWPRJSDU-GOSISDBHSA-N 437.341 5.184 30 20 IKED C[C@H]1CCCN(Cc2csc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)n2)C1 486953576 HHPBLVGJHXTDAD-KRWDZBQOSA-N 432.549 5.291 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)cc1 500927726 TXALTEVLUYRVFD-OAQYLSRUSA-N 429.524 5.687 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1c(C)cc(N(C)C)cc1C 501222925 YICMHMXCFOKRRG-UHFFFAOYSA-N 434.353 5.491 30 20 IKED Cc1cc(NC(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)nn1CCC#N 504100664 NOZBAEDCMNSCIW-HXUWFJFHSA-N 428.920 5.370 30 20 IKED CC(C)CCN(CCC#N)C(=O)c1cc2cc(Br)cc(Br)c2o1 505174981 OYEYZOFGNRMRLW-UHFFFAOYSA-N 442.151 5.360 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1 505339227 UGEZMINECWMVSG-QGZVFWFLSA-N 438.742 5.626 30 20 IKED Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc1 505539052 DZRHTHAFCDPKEN-FQEVSTJZSA-N 444.318 5.101 30 20 IKED C[C@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1cccc(NC(=O)c2ccccc2)c1 508080241 MKNLNBJCRVNUNZ-KRWDZBQOSA-N 429.524 5.250 30 20 IKED N#Cc1ccc(OC2CCC(NC(=O)CCCc3ccc(Cl)c(Cl)c3)CC2)nc1 508421593 ZQTJSFPLQFEMDF-UHFFFAOYSA-N 432.351 5.089 30 20 IKED CSc1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 509076003 UERDMGXNSRKJNC-UHFFFAOYSA-N 432.514 5.234 30 20 IKED C=CCOc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2OC)c1 509110666 MMCYQIWXAQOPFA-UHFFFAOYSA-N 425.488 5.365 30 20 IKED CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509890213 JVCNGIUJUBQCJH-UHFFFAOYSA-N 429.520 5.394 30 20 IKED CC(C)[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)N1CCc2sccc2C1 510187922 UTQHNYUNYAGKQJ-QFIPXVFZSA-N 433.602 5.383 30 20 IKED N#C[C@H](C(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1nc2ccccc2n1C(F)F 515540074 HFBQAMANBVTZNR-GOSISDBHSA-N 436.462 5.440 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCCc3nc4ccccc4s3)c2)c1 515675509 JMUYRCZGIUTYRZ-UHFFFAOYSA-N 440.528 5.382 30 20 IKED CC(C)[C@@H](C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)S(=O)(=O)C1CCCCC1 520534708 UZUXAURPYUQKCE-QHCPKHFHSA-N 440.565 5.061 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](c2ncccc2C)C(C)C)cc1 523768306 NKGRPAHEVCZTBF-HSZRJFAPSA-N 430.508 5.581 30 20 IKED CCOc1ccc(C(=O)CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1 524127963 VCHSTFNPYLYRDB-UHFFFAOYSA-N 428.488 5.138 30 20 IKED CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1 524505437 ADIJTIDGUWMHFX-UHFFFAOYSA-N 433.895 5.391 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1NC(=O)NC(C)(C)C 524627748 FCMFPTYKVKNEES-OAHLLOKOSA-N 440.956 5.668 30 20 IKED Cc1nc(NC(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)sc1SCC#N 525143405 NIESOHOXOKXOLX-UHFFFAOYSA-N 447.536 5.216 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cn(CC(C)C)nc2C(F)F)cc1C 535663552 FZVGGKTZQFJHMZ-UHFFFAOYSA-N 440.498 5.123 30 20 IKED C=CCN(Cc1cccc(C#N)c1)Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1 535977984 JRSCGBDSCQILED-UHFFFAOYSA-N 430.577 5.504 30 20 IKED N#C[C@H](C(=O)c1cccnc1OCC(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1 536715553 OXNXRVGRSOIBNX-CQSZACIVSA-N 437.830 5.290 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 538508264 FCFZLYBHBLUYGD-STQMWFEESA-N 444.373 6.304 30 20 IKED CN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 543594736 PGZDOBZHZSKFKT-AOYPEHQESA-N 444.506 5.269 30 20 IKED CC(C)c1c(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cnn1-c1ccc(F)cc1 543873983 BYZMIMVNBUZPPV-UHFFFAOYSA-N 448.889 5.098 30 20 IKED CC[C@H](CC#N)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(OC)c1OC)CC2 546588498 FGFNMVUGNOGLJL-JJCXBQPYSA-N 441.531 5.161 30 20 IKED C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)[C@@H]1OCCc2sccc21 550454817 VBLWWAWTRYMFFW-XIKOKIGWSA-N 440.512 5.661 30 20 IKED C[C@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1c(Cl)cccc1Cl 552331707 IUNNQZDRAJXPLE-OAHLLOKOSA-N 432.351 5.222 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCC(=O)c1cc(Cl)sc1Cl 553452312 NYIOUZMROGMFDA-UHFFFAOYSA-N 428.385 5.400 30 20 IKED Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 555036015 IKAYIMWVQJVWSR-UHFFFAOYSA-N 430.483 5.143 30 20 IKED N#CCSc1ccccc1NC(=O)COc1ccc(Br)cc1C(F)(F)F 555096888 IALVBCQRQJCLKY-UHFFFAOYSA-N 445.260 5.101 30 20 IKED C=C(C)[C@H](NC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1)c1ccc(F)c(F)c1 555268652 KZDVEGWXONYIIY-IBGZPJMESA-N 447.894 5.114 30 20 IKED C=CCn1c(SCC(=O)c2ccc(OCc3ccccc3)cc2)nnc1-c1cccnc1 557444788 WVFGWMUUQLSKNG-UHFFFAOYSA-N 442.544 5.080 30 20 IKED CCc1nc2cc(CNC(=O)Nc3ccccc3S[C@@H](C)CC#N)ccc2n1C1CC1 558774076 IRCYSASYOFUHRC-INIZCTEOSA-N 433.581 5.650 30 20 IKED C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1ccccc1Sc1ccccc1C#N 568314976 RUIZXIGHVKOTEF-KRWDZBQOSA-N 443.576 5.176 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)COc2ccc(Cl)cc2C2CCCCC2)CC1 569123336 OWBTWEPAJPZHFA-UHFFFAOYSA-N 437.971 5.245 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 578229015 YYVPRPOXNBPNRQ-UHFFFAOYSA-N 447.251 5.163 30 20 IKED CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1Cl 603987051 JPDXACLZFVJKIY-UHFFFAOYSA-N 445.950 6.049 30 20 IKED COCc1c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)sc2cccc(F)c12 603991975 KCIIRLCGPXZUHC-UHFFFAOYSA-N 448.544 6.138 30 20 IKED Cc1ccc([C@H](C)N(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C)c1 604085454 KAFUDLLRLJLZBA-NRFANRHFSA-N 427.548 6.173 30 20 IKED CC(C)(CNC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(F)c1 605328671 BEBPXVBZCQCLEK-NHAGDIPZSA-N 428.392 5.312 30 20 IKED N#CCc1cccc(C(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)c1 608849875 APZBGIQTZJYAKQ-UHFFFAOYSA-N 443.890 5.892 30 20 IKED C[C@@H]1CCCCN1Cc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 609058329 ZPERBNXFRRYBCX-LJQANCHMSA-N 429.520 5.357 30 20 IKED C[C@@H](c1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1)N1CCOCC1 609182573 BBDHQTLBBQFOKN-IBGZPJMESA-N 443.572 5.355 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nccn1-c1ccc(Cl)cc1 609370795 XZKBRPLGEUAJQM-HNNXBMFYSA-N 442.997 5.508 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 609377917 RSTPRYDKMHDPMJ-GFCCVEGCSA-N 434.011 5.958 30 20 IKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1cc(Cl)ccc1F 609387266 VTEHPCDYKACGFI-LLVKDONJSA-N 445.869 5.943 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 609434853 VAHZNWWKRHBSEZ-IRXDYDNUSA-N 436.606 6.102 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@H](c4cc5ccccc5[nH]4)C3)cc2)cc1 609515758 BRVQFWWUPCLKOM-QHCPKHFHSA-N 435.527 6.046 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c1 609629787 SLXVJDHBAXVXEU-QFIPXVFZSA-N 437.499 5.298 30 20 IKED COc1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1NC(C)=O 609723032 WEXGYPRSNUSHNQ-UHFFFAOYSA-N 435.867 5.223 30 20 IKED COc1cc(CSCC(=O)NCc2ccccc2C)ccc1OCc1cccc(C#N)c1 609741166 QUEATUFDFXXBFY-UHFFFAOYSA-N 446.572 5.004 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCCc3nc(C4CC4)no3)cc2Cl)c1 610063851 JRRBVDGWOIGTKI-UHFFFAOYSA-N 436.899 5.012 30 20 IKED N#Cc1ccc(CNc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)c(OC(F)F)c1 610647893 JOZCYBYCIFEJFR-UHFFFAOYSA-N 425.357 5.139 30 20 IKED CCc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccc(Oc3ccc(C#N)cc3)nc1)CCC2 610791826 PKHIGDIDPVOXJA-LJQANCHMSA-N 433.537 5.306 30 20 IKED Cc1ccc(C)c(OCc2nnc(SCc3ccc(C#N)cc3Br)o2)c1 611491497 SVXIPUWRDDYQKK-UHFFFAOYSA-N 430.327 5.192 30 20 IKED CC(C)N(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 618854094 RAGMIYRUXXCDEL-HXUWFJFHSA-N 430.321 5.067 30 20 IKED O=C(CCc1ccc(OC(F)F)cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642157961 MIAVMQWSHHQZSY-RYUDHWBXSA-N 433.339 5.246 30 20 IKED C=CCn1c(SCCC(=O)Nc2c(C(C)C)cccc2C(C)C)nnc1-c1ccccc1 644192915 JWIVAALSTMYWKV-UHFFFAOYSA-N 448.636 6.499 30 20 IKED Cn1c(Cc2cccs2)nc2cc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)ccc21 672584000 YWZQJCKJIYNFSH-INIZCTEOSA-N 446.532 5.464 30 20 IKED CO[C@H](C)c1nc(C)c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1 674299601 QDDSSYJQRPUTJL-MWLCHTKSSA-N 425.457 5.278 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC[C@H](c2ccc(F)cc2)C1 674861852 LTIIFGLZKULFIU-TTZDDIAXSA-N 426.376 5.234 30 20 IKED O=C(CC1CCC(C(F)(F)F)CC1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 679955174 JWQUVCAWZDZPQV-KIDURHIOSA-N 427.351 5.771 30 20 IKED O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)C1CC(F)(F)C1 679995179 ITAHNPMWXBWRQO-SNVBAGLBSA-N 429.229 5.489 30 20 IKED N#C[C@@H](C(=O)c1cc2sc(N3CCCC3)nc2s1)c1nc2cc(F)ccc2s1 684631780 LHDHDFSNEFVFPK-NSHDSACASA-N 428.539 5.197 30 20 IKED N#CCOc1ccccc1C(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1 728009214 VGPVXMQHGJNFFY-UHFFFAOYSA-N 447.853 5.974 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2ccc(F)cc2s1 731070815 UACXGHXAEALUSL-CYBMUJFWSA-N 428.510 5.088 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2ccc(Cl)cc2)c2cccs2)c1 733807030 QAZIRISJVNKQRN-DENIHFKCSA-N 439.968 5.671 30 20 IKED Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cccc(COc3ccccc3C#N)c2)c(C)c1 734200739 CDRPZHVGEFAEJD-HXUWFJFHSA-N 442.515 5.247 30 20 IKED COc1cc(C(=O)/C=C/c2cnc(-c3ccc(C)cc3)s2)ccc1S(=O)(=O)C(F)F 734304671 RSHNPVUSMFRSEH-CMDGGOBGSA-N 449.500 5.020 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1 734964916 FSYLMGLEUUUJBC-MGPQQGTHSA-N 449.309 6.375 30 20 IKED N#CCOc1ccc(Cl)cc1CSc1nnc(-c2ccccc2Br)o1 735231153 WXGJMPKUWNQZML-UHFFFAOYSA-N 436.718 5.347 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1NC(=O)NC(C)(C)C 741110836 AARUUNOYAXVUIR-HXUWFJFHSA-N 442.519 5.029 30 20 IKED Cc1ccc(C)c(SCc2cccc(C(=O)[C@H](C#N)C(=O)NCc3ccccc3)c2)c1 744026920 BHZPZIDFALGRBS-QHCPKHFHSA-N 428.557 5.235 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(CC)[C@H](Cc2ccc(F)cc2)C(C)C)c1 745821973 WDSSATDZCZJWML-LADGPHEKSA-N 425.548 5.305 30 20 IKED N#C[C@H](C(=O)CCCc1ccc(Br)s1)c1nc(-c2ccncc2)cs1 747113815 LQQQPMYVVNHLCB-CQSZACIVSA-N 432.368 5.228 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(-c3ccc(OC)cc3)s2)c1 747586236 YOMPFVAHRQRBLY-LJQANCHMSA-N 435.549 5.104 30 20 IKED Cc1nc(CCC(=O)O[C@@H](C)c2ccc(C#N)cc2)oc1-c1ccc(Br)cc1 748679579 LGBIOERZSCRUQQ-HNNXBMFYSA-N 439.309 5.521 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)cc1 749027131 XMCMBMFFNRUCAP-GOSISDBHSA-N 431.904 5.324 30 20 IKED COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)Nc2ccc(F)cc2OCC#N)c1 752739205 PBPSPFLHRGUSLS-DHLKQENFSA-N 445.494 5.499 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1Cl 758569433 ROKAKWQNFKCNFG-KJXAQDMKSA-N 449.938 5.708 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cnn(Cc3ccccc3)c2)cs1 760270662 SJXKIMMUVPPLKZ-JLHYYAGUSA-N 442.544 5.277 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(Cl)nc1C(F)(F)F 766400931 WFLZWIGPBVILLT-RNFRBKRXSA-N 442.709 5.393 30 20 IKED COc1cccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)N=C2SCC2(C#N)CC2)c1 766782006 DQYPRDBKBINWDB-LPYMAVHISA-N 431.561 5.599 30 20 IKED N#CCOc1ccc(Cl)cc1CSc1nnc(-c2cccs2)n1Cc1ccco1 768411332 FTHJVWMZOCPIFJ-UHFFFAOYSA-N 442.953 5.496 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(O)c(Cl)c2)cs1 768752945 RTBYKYHIXOUFIO-WEVVVXLNSA-N 433.316 5.736 30 20 IKED COc1ccccc1[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)OC(C)C 771115253 PZYKJAARXAWUGP-AZGAKELHSA-N 443.547 5.638 30 20 IKED COc1ccc([C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C(F)(F)F)cc1 780484926 HHLRICPZOSUIBI-YADHBBJMSA-N 439.437 5.776 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 780592748 VZRIIQRHHJSDIN-OAHLLOKOSA-N 435.299 5.172 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1 785221260 HTEOVJVCKJMCAN-ROUUACIJSA-N 445.544 5.408 30 20 IKED C[C@@H](OC(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1)C(=O)Nc1ccccc1C#N 785875735 KIDDMKQQZIAIFC-ZHRRBRCNSA-N 434.492 5.101 30 20 IKED CSc1cc(C(=O)[C@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)ccc1F 787047559 CWSKEOQHGIFDSR-YGRLFVJLSA-N 425.312 5.054 30 20 IKED N#C[C@@H](C(=O)CN(Cc1cccs1)C1Cc2ccccc2C1)c1nc2ccccc2s1 792928683 UTPUPSULBXQICN-NRFANRHFSA-N 443.597 5.204 30 20 IKED CC(C)C(=O)c1ccc([C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 802043763 PLGBWOGBFYZDQC-QRWLVFNGSA-N 436.964 6.282 30 20 IKED CC[C@H](C#N)Oc1cccc(CNc2ccc(-c3ccc(Br)s3)nn2)c1 804457955 GGQHMBWGVBJELP-CQSZACIVSA-N 429.343 5.261 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H](O)c3ccc(C(F)(F)F)cc3)cc2)c1 806264456 CRSYXMLIIHLFCW-OAQYLSRUSA-N 441.409 5.224 30 20 IKED Cc1ccccc1[C@H](O)C1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 807071187 ZWSVSHKNVZKESZ-HHHXNRCGSA-N 439.559 5.189 30 20 IKED Cc1cc(C(=O)O[C@H](c2ccc(C(F)(F)F)cc2)C(F)(F)F)nc(C(F)(F)F)n1 809327285 YONKFRREJRAWAV-LLVKDONJSA-N 432.242 5.283 30 20 IKED Cc1ccc([C@H](O)c2ccccn2)cc1NCc1cccc(OCc2ccccc2C#N)c1 812846114 FVKRZJCWEOSHQX-NDEPHWFRSA-N 435.527 5.535 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccsc3)N(CC[C@@H](C)F)C2=O)c1 814711726 UHZYEOGNRLCXPA-CRAIPNDOSA-N 433.574 5.073 30 20 IKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1cccs1 837300139 RSOKSAYREHNGBS-FQEVSTJZSA-N 435.574 5.217 30 20 IKED Cc1[nH]c2ccccc2c1C=Nn1c(C)nc2scc(-c3ccc(Cl)cc3)c2c1=O 916272634 FUGHREDHBCDYHU-UHFFFAOYSA-N 432.936 5.759 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)cc1OCC 916904807 DXZRQRNXHZHCBC-AWEZNQCLSA-N 435.307 5.142 30 20 IKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)ccc1OC1CCCC1 916917191 ARTUWTNJWOJAEV-NRFANRHFSA-N 428.488 5.131 30 20 IKED Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 917027053 UXEFJEARCVGPDA-OAQYLSRUSA-N 430.508 5.171 30 20 IKED CC(=O)Nc1cccc(C(=O)/C=C/c2c(C)nn(-c3ccc(Br)cc3)c2C)c1 917143274 FBJPNVVRKFGLQP-VAWYXSNFSA-N 438.325 5.106 30 20 IKED Cc1ccc2c(C=Nn3c(S)nnc3COc3c(Cl)cccc3Cl)c[nH]c2c1 917545595 XGZAZAPUAMETMX-UHFFFAOYSA-N 432.336 5.125 30 20 IKED O=C(Nc1ccc(N2CCCC2)c(F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 919652694 FDLMCSVCBFJKJR-VXGBXAGGSA-N 427.364 5.021 30 20 IKED CC(C)(C)N(N=Cc1ccccc1N1CCOCC1)C(=S)Nc1cccc(Cl)c1 920385748 XPMGIOWUCYSWNC-UHFFFAOYSA-N 431.005 5.008 30 20 IKED COc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3ccc(C)cc3)s2)cc1OC 920481860 BJXNGZAMFGFPPZ-UHFFFAOYSA-N 436.562 5.170 30 20 IKED Cc1nc(CSc2ccc(C(=O)OC[C@H](C#N)Cc3ccc(F)cc3)cc2)cs1 920876617 NUASHGPNHUYCOL-KRWDZBQOSA-N 426.538 5.422 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CSc3ccncc3)CCC2)cc1 1785840820 IZSWCVJAFHOJJE-UHFFFAOYSA-N 437.609 5.300 30 20 IKED CCCCCc1ncc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)C#N)cc3)CCC2)s1 1785936071 IIQFQDNPRAPXRY-UHFFFAOYSA-N 438.597 5.173 30 20 IKED CCCCCc1cccc(CC(=O)NC2(c3ccc(NC(=O)CCC#N)cc3)CCC2)c1 1787888570 ZVMKAAHBBFZANV-UHFFFAOYSA-N 431.580 5.400 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cn4ccsc4n3)CCC2)cc1 1789626605 YRCZBJFMZFPGLM-UHFFFAOYSA-N 436.581 5.136 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cncc(C(F)(F)F)c3)CCC2)cc1 1791248894 GTQGIJOOJKJDNK-HNNXBMFYSA-N 431.458 5.060 30 20 IKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)CC4CCC4)CCC3)cc2)cc1C#N 1792168812 HGOCTHVXGGUIQJ-UHFFFAOYSA-N 445.563 5.283 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)c(Cl)cc1C)C2 1798339708 ADUABKCFGPEQLK-MHORFTMASA-N 435.395 5.322 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(Cl)s2)n[nH]1 1815730613 AIIWPDQWUOSYIS-AEFFLSMTSA-N 447.004 5.128 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)s2)n[nH]1 1816396352 SFQURJCVNPXEFH-INIZCTEOSA-N 432.977 5.199 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sccc2Cl)[nH]n1 1819555594 OHMRUQFESSXHNB-MRXNPFEDSA-N 434.993 5.423 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3ncccc3c2)CC1 1829066310 AZQPGAQFHSIHNI-RUZDIDTESA-N 447.623 5.461 30 20 IKED CC(C)=CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1830257157 IKTLKGSNZBQOBS-HSZRJFAPSA-N 442.003 5.191 30 20 IKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3CCCCC3)CC2)c(Cl)c1 1830720290 GYULCNGEVHPZIF-HSZRJFAPSA-N 442.003 5.025 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)noc2-c2ccccc2)CC1 1831370947 PHFNJVDNDHXGQT-WMZHIEFXSA-N 449.595 5.096 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 1831372707 HSCPNZXNGUDOJI-UTKZUKDTSA-N 442.600 5.486 30 20 IKED COc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(O)c2)c1 11259602 GRAJDZLOYFUOPR-UHFFFAOYSA-O 448.351 5.046 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2cccc(OC)c2)cc1 11261016 AOEVMJMHCKASBN-UHFFFAOYSA-O 433.597 5.603 30 20 IKED COc1ccc2nc(N(Cc3ccccc3)C(=O)[C@@H](C)Oc3ccc(C#N)cc3)sc2c1 15317844 SNSJSIFIUDFKFO-QGZVFWFLSA-N 443.528 5.177 30 20 IKED C=CCNC(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 16922564 DFIGNLSFXBGIRS-AWEZNQCLSA-N 447.391 5.083 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C1\S/C(=N\C2CCCC2)NC1=O 20987586 ZWBFLHCAOYQERV-YVLHZVERSA-N 435.380 5.049 30 20 IKED Cc1ccc(C[C@@H](C#N)Sc2nnc(Cc3cccs3)n2CCc2ccccc2)cc1 24701289 AUBMUASOUKGBMP-QHCPKHFHSA-N 444.629 5.709 30 20 IKED C=CCOc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1OC 26315446 HZXKKESLGXRGAQ-UHFFFAOYSA-N 425.532 5.403 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)nnc1C1CC1 35767141 BXBOADDGXNOJDF-IBGZPJMESA-N 432.593 5.051 30 20 IKED C=C(C)COc1cc(/C=C2\SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)ccc1OC 60791983 FMZXQPSGAIWBKC-MTJSOVHGSA-N 439.558 5.259 30 20 IKED CN(C)C(=O)c1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1Cl 63783866 OYXWOPPVGNTMRV-UHFFFAOYSA-N 449.963 5.458 30 20 IKED Cc1cc(N2CCSCC2)ccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 65024772 ZMQHCGXWPJTWAE-UHFFFAOYSA-N 443.572 5.251 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2cccc(Br)c2)n(Cc2ccco2)c1C 97529775 DIDKDNQVDWDCMD-UHFFFAOYSA-N 444.354 5.111 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)nnn1-c1ccccc1Cl 303145055 BUIVIYNSHBQJQA-UHFFFAOYSA-N 429.867 5.145 30 20 IKED CC(C)c1n[nH]c(-c2ccccc2NC(=O)c2cccc(COc3ccccc3C#N)c2)n1 303601564 VCTSBXUBJVRODI-UHFFFAOYSA-N 437.503 5.298 30 20 IKED CN(Cc1ccc(Br)o1)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 303651151 KMTZRLGENLNDSG-UHFFFAOYSA-N 445.700 5.632 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)o1 410012549 XKMCENIBJPDVRF-SFHVURJKSA-N 441.487 5.277 30 20 IKED CCC(CC)n1nccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 432648521 WUDWMEIPDHUWNW-UHFFFAOYSA-N 447.486 5.434 30 20 IKED O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1cccc(-c2noc(C(F)(F)F)n2)c1 433351648 HSYOBNJEDMADIJ-UHFFFAOYSA-N 449.282 5.088 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 436138318 BAIMTSXVSAWCGO-UHFFFAOYSA-N 445.478 5.906 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)c2nc3cccc(Cl)c3s2)cc1C 436407647 KMOFHHDDZFMLIQ-UHFFFAOYSA-N 449.967 5.620 30 20 IKED N#Cc1cc(NC(=O)C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)ccc1Oc1ccccc1 437020756 DOWPCDLMNWNKQK-CYWCHRQTSA-N 445.906 5.005 30 20 IKED CC[C@H](C)Oc1ccc(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 437229227 SREYTGUVOZPPFJ-KRWDZBQOSA-N 429.476 5.105 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC2(c3cccc(F)c3)CCOCC2)cc1 437842556 QVXLIJOKFQCFQX-UHFFFAOYSA-N 431.467 5.317 30 20 IKED Cc1cccc([C@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1C 437898731 UWXTZBDZFFSLJE-HHHXNRCGSA-N 439.559 6.318 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 438757295 RYYJYOSEFMXXRQ-JTQLQIEISA-N 446.337 5.097 30 20 IKED COc1ccc([C@H](CNC(=O)CSc2ccccc2C#N)c2c[nH]c3ccccc23)cc1 439711404 QMHVLBLUARSLME-QFIPXVFZSA-N 441.556 5.089 30 20 IKED Cc1ccc(NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OCCC(C)C 441171962 MSBUXCYCBYDKIT-SFHVURJKSA-N 439.581 5.391 30 20 IKED C=CCC[C@@H](NC(=O)N(C)Cc1cn(C)nc1C(F)(F)F)c1ccc(C(F)(F)F)cc1 441547379 WNKHKGMYRGXCJZ-MRXNPFEDSA-N 448.411 5.307 30 20 IKED CCO[C@@H](C)c1ncc(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)s1 442673644 VHQUZRABWLLUGM-INBNFPSNSA-N 441.622 5.655 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CNC(C)(C)Cc1ccc(C(F)(F)F)cc1 442784934 UTNNKZFXRRJKHW-MRXNPFEDSA-N 449.542 5.649 30 20 IKED CCOc1ccc(Br)cc1CN(C(=O)[C@H](C)c1cccc(C#N)c1)C1CC1 462032463 QQXNAJJGOCFXEV-OAHLLOKOSA-N 427.342 5.014 30 20 IKED Cc1cc(F)cc2c(N3CCC([C@@H]4C(=O)Nc5cc(Cl)ccc54)CC3)c(C#N)cnc12 462800609 CTGFCWHBUFHLBZ-NRFANRHFSA-N 434.902 5.160 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccccc1NCc1ccc(Cl)cc1 462834846 AWAAUELVELVIFH-UHFFFAOYSA-N 446.938 5.571 30 20 IKED COc1cc(CN2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)ccc1OCc1cccc(C#N)c1 463210931 HRMVGVWRQBWNNT-ISJGIBHGSA-N 434.580 5.051 30 20 IKED COCc1ccc([C@@H]2CCCN2Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)o1 467117021 JTKLHEOFHIUHOW-QHCPKHFHSA-N 432.520 5.222 30 20 IKED CCN1CCN(c2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)cc2)CC1 468062739 STURFSQUWAMQRJ-UHFFFAOYSA-N 440.547 5.053 30 20 IKED N#CCSc1ccccc1NC(=O)CNc1ccccc1Oc1cc(F)cc(F)c1 469161483 XYTYVNPIFKHYFB-UHFFFAOYSA-N 425.460 5.423 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1ccccc1O[C@@H]1CCOC1 470585648 WMFBCHXFJVFFAE-JOCHJYFZSA-N 443.503 5.257 30 20 IKED COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1 472818922 ODECHQSHHGDWNV-MJGOQNOKSA-N 430.529 5.145 30 20 IKED COc1ccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cc1OCc1ccc2ccccc2n1 473629468 JFRUFUBBXIBLEM-UHFFFAOYSA-N 449.510 5.364 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 473641573 OISOSVOYXFYHKM-HFZDXXHNSA-N 448.636 5.601 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 475552589 ZWUZNRJTUNNQOV-UHFFFAOYSA-N 443.950 5.321 30 20 IKED Cc1c(COC(C)(C)C)cccc1NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 475965419 NCOWULUQBMTXGZ-FQEVSTJZSA-N 438.547 5.111 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCc2cc(-c3ccccc3)oc2C1 477062547 CHWQCZQZDMWMQH-SFHVURJKSA-N 431.561 5.338 30 20 IKED C=C(C)[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(F)c(F)c1 477645038 OOIZOZFEKBBYKX-INIZCTEOSA-N 432.776 5.009 30 20 IKED Cn1cc(CNCCc2csc(-c3ccc(Cl)cc3)n2)c(-c2ccc(C#N)cc2)n1 478350201 CXFYRLZELYWUGP-UHFFFAOYSA-N 433.968 5.068 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)Nc1ncccc1Cl 480814519 GIKKQXITZDWZPH-UHFFFAOYSA-N 426.929 5.326 30 20 IKED C=C(C)[C@H](NCC1(CN[C@@H](C(=C)C)c2ccc(F)c(F)c2)COC1)c1ccc(F)c(F)c1 481605815 IIEVQNBJSDBZHD-ZEQRLZLVSA-N 448.504 5.373 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 483358607 MXUONSNNSWKPMF-BKULYWANSA-N 448.636 5.457 30 20 IKED COc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1ccccc1SC[C@H](C)C#N 483468678 FFVDILMLAPTXNR-CYBMUJFWSA-N 441.940 5.816 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(Cl)c(F)c2)cc1Cl 485708644 IASAVSYVZHOBGB-KRWDZBQOSA-N 442.277 5.365 30 20 IKED CC(C)c1ccc(-c2nc(C(=O)N(CCC#N)c3ccc4c(c3)OCCO4)cs2)cc1 486273822 YUYUXHMCDNOLKA-UHFFFAOYSA-N 433.533 5.265 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc2cc(Br)cnc12 486897670 SAROWOCIILHHKY-UHFFFAOYSA-N 442.361 5.385 30 20 IKED CCCC(=O)Nc1ccc(Cl)c(NC(=O)NCCSCc2ccccc2C#N)c1 486898511 FWACZFYTUNZDBV-UHFFFAOYSA-N 430.961 5.005 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1c(Cl)cccc1[N+](=O)[O-] 487675213 PWMMJXWTUFGVAM-UHFFFAOYSA-N 434.880 5.036 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC[C@@H](CN2CCCCCC2)C1 487905811 GOIYIFKRJXUAKQ-NRFANRHFSA-N 433.621 5.438 30 20 IKED CC[C@H](c1ccccc1)c1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)o1 488803407 ITHGRXFTCHTPAF-DZGCQCFKSA-N 438.578 5.153 30 20 IKED C=C(C)Cn1c(S[C@H](C(=O)N2c3ccccc3C[C@H]2C)C(C)C)nnc1-c1ccncc1 489389874 KRNCYGHJIPMNKN-GCJKJVERSA-N 447.608 5.011 30 20 IKED CC(C)c1oc([C@H]2CCCN2S(=O)(=O)c2ccc(C#N)c(F)c2)nc1-c1ccccc1 489551508 LXGILVMQQVUOGJ-HXUWFJFHSA-N 439.512 5.002 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 494305299 BAWWHSLPCPZZSE-UHFFFAOYSA-N 443.338 5.136 30 20 IKED Fc1ccc([C@@H](CC(F)(F)F)NCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cc1 494431191 OWKBXPIDHATPNQ-LJQANCHMSA-N 445.382 5.873 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)cc1 499748188 GRVPQPAOTWRGEP-LEWJYISDSA-N 439.353 5.006 30 20 IKED Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc2)n1 501448590 HZCFSOLQCIAUFI-UHFFFAOYSA-N 436.515 5.387 30 20 IKED N#CC1(c2ccc(C(=O)N3CCCCC[C@H]3c3noc(-c4ccc(F)cc4)n3)cc2)CC1 501789998 DRNWUYOVSSQPIE-NRFANRHFSA-N 430.483 5.188 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 502101496 RITIOZAQTGIHAM-DLBZAZTESA-N 449.366 5.865 30 20 IKED Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)[C@@H]1CCC[C@@H](C)C1 503293605 AJGOIHMGPIZPDO-DRMXPCRNSA-N 449.620 5.623 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(Nc2cccc(C)c2)CC1 508907026 KJDKWMFFWCKAMR-LJQANCHMSA-N 435.547 5.133 30 20 IKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H]1CCCN(C2CCC2)C1 511246696 DJFJBSNHVXZRDH-UNMCSNQZSA-N 446.595 5.106 30 20 IKED Cc1ccccc1OCCN(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511373835 RKXULBNHZGJPGY-UHFFFAOYSA-N 429.520 5.183 30 20 IKED Cn1c([C@H](C#N)C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)nc2ccccc21 513660615 NALYICSVUJZEPB-CQSZACIVSA-N 434.908 5.031 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COc1c(Cl)cc(Cl)cc1Cl 515392396 TWNVSBHXNFKELX-LLVKDONJSA-N 429.756 5.916 30 20 IKED C/C=C/c1ccc(OCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(OC)c1 515654710 CHWGCMTWGIIECF-ZZXKWVIFSA-N 442.515 5.391 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)c1 518103244 YGEUMAZTGGXKHY-KRWDZBQOSA-N 449.576 5.198 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(Br)cc2ccccc12 519426041 FDPRHVRDFLSWFA-CQSZACIVSA-N 425.351 6.106 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc2c(c1)CCC(=O)N2 520196918 JQQMJFGCKVXSMI-MRXNPFEDSA-N 426.476 5.118 30 20 IKED COc1cc(-c2noc(-c3ccc(COc4ccccc4C#N)o3)n2)ccc1OC(F)F 520275878 XLULZJNSNVOHQE-UHFFFAOYSA-N 439.374 5.057 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)s2)cc1 521017352 OQQVASQMLLWVQY-KRWDZBQOSA-N 431.439 5.141 30 20 IKED Cc1ccc(CCC2CCN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CC2)cc1 521108018 OYQOHDJFNWAQFE-UHFFFAOYSA-N 425.532 5.539 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCC1(c2ccccc2Cl)CCOCC1 521811585 MMRSTMCMKRTQIA-QGZVFWFLSA-N 444.000 5.604 30 20 IKED COc1cc([C@H](C)NC(=O)c2occc2COc2cccc(C#N)c2)ccc1OC(C)C 523945761 UJGHOUIKXCDJKH-KRWDZBQOSA-N 434.492 5.017 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 524216171 OAKFAETZZRBDLN-UWJYYQICSA-N 428.001 6.741 30 20 IKED Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)CCc2ccc(C#N)cc2)C3)cc1 524682889 XFYAQOIKSJPKIT-UHFFFAOYSA-N 438.531 5.028 30 20 IKED CN(C)C(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 524810171 PIYZMAZOSXGQOB-ILGMOKPNSA-N 448.592 5.194 30 20 IKED CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 524828615 LBDGALMPJUWQFR-VWLOTQADSA-N 428.536 5.846 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cnc(-c3ccncc3)s2)cc1 525043452 ARGBGOIIKYSRGD-UHFFFAOYSA-N 428.492 5.058 30 20 IKED N#Cc1ccc(-c2nnc(CSc3nnc(-c4ccco4)n3C3CCCCC3)o2)cc1 525110535 SBYCVKDICGGUQH-UHFFFAOYSA-N 432.509 5.257 30 20 IKED C=CCN(C(=O)c1nc(C(C)C)n(-c2ccccc2F)n1)c1nc(-c2ccccc2)cs1 525118046 LTSUDMUIVKNHIY-UHFFFAOYSA-N 447.539 5.486 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](c2cccc(Cl)c2)N(C)C)cc1 525456304 KGOORSVZUCFVTC-QHCPKHFHSA-N 435.911 5.254 30 20 IKED O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1cc(O)ccc1C(F)(F)F 526010312 VAIQHBTUBFIUJG-UHFFFAOYSA-N 439.262 5.194 30 20 IKED COc1ccc(N(Cc2cccs2)C(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1 531026304 FEWMBXAGRIMTHG-UHFFFAOYSA-N 447.560 5.017 30 20 IKED C=CCCCCCN(C)Cc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1 533758479 HTNILMNRCMCFEJ-UHFFFAOYSA-N 426.413 6.313 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCc4c([nH]c5ccccc45)C3)cc2F)c1 536277622 BYIBSHFSVPWHCA-UHFFFAOYSA-N 440.478 5.348 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1 537929062 QTIITVPRGVOJGD-PXDATVDWSA-N 427.504 5.558 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 538654878 DHFQIWGMQSTPHU-UHFFFAOYSA-N 439.515 5.158 30 20 IKED N#CCC1CCN(C(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)CC1 542901119 ACPVMJGRQWVHOS-UHFFFAOYSA-N 442.397 5.295 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 543495388 XVHWDWZXVCIYDJ-NTKDMRAZSA-N 434.442 5.279 30 20 IKED N#Cc1ccc(NC(=O)N2CCC(Oc3cccc(Br)c3)CC2)c(Cl)c1 545443003 HLCZTURPEFJHOB-UHFFFAOYSA-N 434.721 5.049 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(Cc1ccccc1)c1ccccc1C#N 551888335 HDFDLXAVIXQFKE-UHFFFAOYSA-N 441.512 5.621 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C)Cc1cncc2ccccc12 553955337 HQUIGMRROUKTLO-FQEVSTJZSA-N 435.527 5.811 30 20 IKED C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(OC(C)C)CC1 558992125 SCGRCBZSBBNLDN-UHFFFAOYSA-N 437.613 5.347 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1c(Br)cccc1SCC 563784947 SDEQWXKPIUFSGR-UHFFFAOYSA-N 430.371 5.653 30 20 IKED CCCc1c(NC(=O)Nc2ccccc2S[C@H](C)CC#N)cnn1-c1cc(C)ccn1 565806147 GIBFMSNPYGGOQJ-QGZVFWFLSA-N 434.569 5.567 30 20 IKED N#CCC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1 577788250 ZNJFUVCLDFGNGZ-QFIPXVFZSA-N 433.895 5.232 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 589792446 ILAXZXUUCSGJAJ-HSZRJFAPSA-N 434.923 5.139 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cnc2c(cnn2C(C)C)c1 603533267 YPDIFKOLLHBFOM-UHFFFAOYSA-N 427.483 5.178 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 603738878 FNPSYQKDBNGJAI-UHFFFAOYSA-N 430.464 5.512 30 20 IKED N#Cc1ccccc1CSCCNC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 603748057 GOIYZOSCCQVOFG-UHFFFAOYSA-N 433.499 5.184 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)o1 603878438 SBDAGKUCXUZGEE-UHFFFAOYSA-N 437.427 5.384 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3cccc(F)c3)C[C@H]3CCCO3)cn2)cc1 604522331 NGIKVFXCDCWEOA-HSZRJFAPSA-N 446.482 5.098 30 20 IKED N#Cc1ccc(CN2CCCN(C(=O)Nc3cccc(Sc4ccccc4)c3)CC2)cc1 609398156 GEVAWJUBKBLWQJ-UHFFFAOYSA-N 442.588 5.449 30 20 IKED CCN(C(=O)c1cc2ccccc2n1CC#N)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 609577252 GFGLWDDFRREJNE-MHZLTWQESA-N 436.559 5.935 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)N[C@H]1CCN(c2ccc(C#N)cc2)C1=O 609633550 CPOAVKKPOFOGKO-VLIAUNLRSA-N 436.968 5.100 30 20 IKED COCCN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nc2ccccc2s1 609641554 INPJEKUVOCDYEH-UHFFFAOYSA-N 443.528 5.040 30 20 IKED N#Cc1ccc([C@H](Sc2nc(Nc3ccccc3Cl)c3ccccc3n2)C(N)=O)cc1 609649010 SSVUHVJTZTYVCF-FQEVSTJZSA-N 445.935 5.217 30 20 IKED C[C@@H](Oc1ccccc1NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccccc1 609652388 TYQVPCKYOGUQNZ-LJQANCHMSA-N 438.483 6.123 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 609784753 WZVPFJYWXTUNJZ-UHFFFAOYSA-N 435.867 5.074 30 20 IKED C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CCN1Cc1ccccc1 609995408 BEDPFNSFTDRNND-ZBLYBZFDSA-N 438.575 5.427 30 20 IKED C[C@@H](C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccccc1C(F)(F)F 610224999 VHUKVXVCTWGQRG-OAHLLOKOSA-N 437.421 5.572 30 20 IKED COc1ccc2c(c1)OCC[C@@H]2NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 610320936 LOCLCDFBWQHUTM-GMAHTHKFSA-N 447.922 5.649 30 20 IKED C[C@@H](NC(=O)NCCCCSc1ccccc1Br)c1cccc(C#N)c1 610351753 VJHXHHZKHQCMHX-OAHLLOKOSA-N 432.387 5.253 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)NCc1ccnc(Oc2ccc(OCC)cc2)c1 615726168 IYCGGKLSVNCHST-UHFFFAOYSA-N 435.499 5.310 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N2CCSc3ccccc32)nnc1-c1cccc(C)c1 617940840 OCCZBDHNJTZSGA-QGZVFWFLSA-N 436.606 5.059 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 618826415 DBQVAUBFULLRSB-PMACEKPBSA-N 432.524 5.185 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccnc2SC(F)F)cc1 725722724 VMGKANLVVPCNQD-UHFFFAOYSA-N 427.432 5.321 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C(C)C)cc2)[n+]2ccc(CCC)cc2)c1 726572765 NFECXAIVAZJQDD-UHFFFAOYSA-O 441.620 6.355 30 20 IKED CN1CCC(N(C)c2ccc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cc2)CC1 728467445 MBISWJVIGOCKHP-UHFFFAOYSA-N 440.547 5.133 30 20 IKED N#C[C@@H](C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1nc(O)c2c3c(sc2n1)CCCC3 728764536 SBLXIMABYPPSCF-LSDHHAIUSA-N 445.466 5.188 30 20 IKED Cc1cccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1NC(=O)c1ccncc1 729375509 IRVWCDYIISVEDC-UHFFFAOYSA-N 448.482 5.559 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 731400022 KGVHNHABKUDCNH-ZHRRBRCNSA-N 427.545 5.197 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1ccc(CN2CCOC2=O)cc1 733628399 YYOBXMLKSCPHJS-UHFFFAOYSA-N 442.475 5.255 30 20 IKED N#CCCn1cc(C2=NNC(=Nc3cccc(Br)c3)SC2)c2ccccc21 733806348 AAMHMKTYHZJKCU-UHFFFAOYSA-N 438.354 5.046 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)CCc3nc(-c4ccc(Cl)cc4)no3)c2)s1 739597656 BIMQDAKJRLJCFR-UHFFFAOYSA-N 448.935 5.239 30 20 IKED N#C[C@@H](C(=O)Cc1c[nH]c2ccc(Cl)cc12)C(=O)Nc1ccccc1Oc1ccccc1 740529401 MVCFATNFXQBHDJ-FQEVSTJZSA-N 443.890 5.504 30 20 IKED COc1ccc(/C=C2\N=C(SCCC(C)(C)C#N)N(c3cc(C)cc(C)c3)C2=O)cc1 741447554 QKWLGHYSNSUFQC-JCMHNJIXSA-N 433.577 5.729 30 20 IKED C#CCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1 742215417 XAFRTKHVYYNNNF-HXUWFJFHSA-N 439.968 5.022 30 20 IKED Cc1nn(C)c(C)c1C[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 744035801 QSITXFSJDJWIMA-GTNSWQLSSA-N 447.391 5.522 30 20 IKED CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)n1 746025919 SNOZVBKWRLXQEV-PGRDOPGGSA-N 447.539 5.123 30 20 IKED N#C[C@@H](C(=O)CSCc1ccc(Br)cc1F)c1ccc2ccccc2n1 748006982 VHDYMCCDSGKCGB-MRXNPFEDSA-N 429.314 5.246 30 20 IKED CC(=O)N(c1nc(C=NNc2cc(Cl)ccc2Cl)cs1)c1ccc(F)cc1F 751894864 DMSVCANSCLQIPH-UHFFFAOYSA-N 441.290 5.859 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1Cn1nc(-c2ccccc2F)n(C2CC2)c1=S 751934524 RKXVHSRYXMDGGC-IFMALSPDSA-N 433.556 5.284 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)cc1C#N 752305980 CFFJJZGRXQPCLV-UHFFFAOYSA-N 448.523 5.038 30 20 IKED N#CC1CCC(COC(=O)C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)CC1 755970655 XTEQRKRCTJTKNG-UHFFFAOYSA-N 433.548 5.187 30 20 IKED C[C@H](CSc1ccc(F)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 756232711 DNWCDSKERHETKA-SJKOYZFVSA-N 438.496 5.216 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1 758780715 SWZWBECZHBTWHX-RXVVDRJESA-N 448.567 5.067 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1 760789025 AZWIMQHNWYZRCS-NRFANRHFSA-N 445.277 5.794 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)N[C@@H](c3ccccc3)c3cccc(Cl)c3)CCO2)c1 761668022 CSNBTTZYHBNLHM-ZEQRLZLVSA-N 431.923 5.084 30 20 IKED N#Cc1cc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)c(Cl)c([N+](=O)[O-])c1 764302583 QMQCIXVWIMCRSB-CCHVVGMOSA-N 427.810 5.207 30 20 IKED CC(C)[C@@H](C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 764755505 XCXLWVZRTYRAFK-ZCFIWIBFSA-N 430.229 5.263 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)cc1 769224089 VUKXXQJRQNIVHQ-DEOSSOPVSA-N 443.497 6.332 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc(C(F)(F)F)nc3Cl)c2)c1 772713876 NNDONWJPHYTIJW-UHFFFAOYSA-N 431.801 5.457 30 20 IKED N#C[C@H](COC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)Cc1cccs1 772737174 NXZCZMLGGABPDM-GOSISDBHSA-N 444.512 5.215 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H]2CCc3c(F)cc(Br)cc32)ccc1OC 772980442 ORJDBCBULMZIJU-BEFAXECRSA-N 433.321 5.055 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1coc(-c2ccccc2Cl)n1 776292069 LLIMDFXLSSYZJX-UHFFFAOYSA-N 447.672 5.247 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 780158016 KPLNFIRCVCQGRP-KRWDZBQOSA-N 439.471 5.157 30 20 IKED CC(=O)N1C/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)c2ccccc2C1 781550503 YUOUVGKYTSTSFX-PDGQHHTCSA-N 425.406 5.594 30 20 IKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCC#N)c1 784124917 FQPZQSJLIKICSC-JOCHJYFZSA-N 448.592 5.184 30 20 IKED CC(C)[C@@H]1C[C@@H](CC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c2ccccc21 786277047 PBTBSPSXGJDPIO-YSSFQJQWSA-N 445.588 5.769 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)Cc1c[nH]c2cc(Cl)ccc12)c1ccc(Cl)cc1Cl 787054849 XFPIAPSMHTYBRT-GTNSWQLSSA-N 448.737 5.257 30 20 IKED O=C(C[C@H]1SC(=Nc2ccsc2)N(CCCC(F)(F)F)C1=O)Nc1ccccc1 790758198 XKEGSJMKFYVAGN-OAHLLOKOSA-N 441.500 5.051 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2Cc3cc(Br)ccc3O2)cc1 791508622 DVIQQHPLJCFPPZ-IRLDBZIGSA-N 433.305 5.047 30 20 IKED CC(C)(CCC#N)COC(=O)c1cc(-c2cccnc2)nc2c(Br)cccc12 798876353 YVZDCXCVOWARJP-UHFFFAOYSA-N 438.325 5.546 30 20 IKED CC(C)C(=O)c1ccc([C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 802052461 AMBVRKYBJVMNGQ-HRAATJIYSA-N 427.529 5.500 30 20 IKED N#CCOc1cccc(CC(=O)Nc2ccc3oc(SCc4ccccc4)nc3c2)c1 807987236 CJYRLELPYGJZRQ-UHFFFAOYSA-N 429.501 5.204 30 20 IKED CC(/C=C/C(=O)c1ccc(S(=O)(=O)CC(F)F)cc1)=C\c1ccccc1OC(F)F 811690691 DPYORFLSKPWILW-RGNKTVKFSA-N 442.430 5.169 30 20 IKED CCOc1ccc([C@@H](O)C2CCN(C(=O)c3ccccc3-c3ccccc3C#N)CC2)cc1 812663934 DDFNFAKXZOETJT-HHHXNRCGSA-N 440.543 5.210 30 20 IKED Cc1c(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)cnn1-c1ccccc1 818253835 YPNUYVRCGUFOON-CCEZHUSRSA-N 441.918 5.983 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)N(Cc2ccco2)c2ccccc2C#N)cc1 914515652 ZMMQAXGNXMBZRA-UHFFFAOYSA-N 431.492 5.274 30 20 IKED Cc1cc([C@H](C#N)C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)nc(C)n1 915103497 YPXWJFBNWZGEKZ-NRFANRHFSA-N 430.458 5.329 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3sc4ccccc4c3s2)cc1Cl 916938040 KHXQDXUCPNDVNT-ZDUSSCGKSA-N 440.933 5.739 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 916956117 XUSBTLFNXVJSAU-HOYKHHGWSA-N 439.515 5.414 30 20 IKED Cc1cccc(-c2nc(CC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cs2)c1 916976949 YCUMYHHNFYBZDV-LJQANCHMSA-N 449.988 6.314 30 20 IKED COc1ccc(-c2cc(N[C@@H](C)C(=O)Nc3ccccc3C#N)ccc2OC(F)F)cc1 917175303 UACXXMHISCJHSN-HNNXBMFYSA-N 437.446 5.274 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 920105722 CXHLDUCZZIADIC-SFHVURJKSA-N 449.532 5.728 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1)c1nc2ccccc2s1 920106529 RCNYVVQMQGZKBJ-GCJKJVERSA-N 449.535 5.097 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C(C)(C)Oc3ccc(Cl)cc3)n2)cc1 920144202 YSEPHKUYXMKTIF-SFHVURJKSA-N 426.925 5.506 30 20 IKED N#C[C@@H](COC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)Cc1ccc(F)cc1 920876886 RIRIKSWQBYIZNJ-CPJSRVTESA-N 427.479 5.059 30 20 IKED CCOc1ccc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)cc1OCC 920985524 QEINONHBGKNGHI-UHFFFAOYSA-N 433.533 5.113 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)cc2)CCC1 1785790515 CZIUNKDYNQDRDT-UHFFFAOYSA-N 434.927 5.119 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3c[nH]c4cc(OC)ccc34)cc2)CCC1 1786171465 NYCFDTQUYPLNLD-GOSISDBHSA-N 445.563 5.065 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@]4(F)CCCC=C4F)cc3)CCC2)cc1 1792379620 LPZBLZWLTJEKPS-RUZDIDTESA-N 435.474 5.052 30 20 IKED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3cccc(C)c3)C2)CC1 1810360199 HAYLMMXMUDSMSJ-QFIPXVFZSA-N 445.607 5.114 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cccc(C)c2)n[nH]1 1815562162 HLRXGVLBJLLVIB-GMAHTHKFSA-N 434.584 5.111 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1oc3ccccc3c1C)CC2 1819599554 IJCMVVZIAJIPJM-SJORKVTESA-N 449.576 5.192 30 20 IKED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821612406 WJRQJFDMRVHHLK-OAQYLSRUSA-N 440.503 5.028 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H](C)c2ccccc2)n[nH]1 1822039322 UEDGZHNGMSQRQX-XXBNENTESA-N 434.584 5.364 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ccncc23)CC1 1824143054 DUYQLEHJAANPCL-SANMLTNESA-N 445.607 5.237 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCC3CCC3)CC2)c1 1832629485 RZBINHXGCGUPHG-CPJSRVTESA-N 435.612 5.127 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1[nH]c3ccoc3c1-c1ccccc1)C2 1844203004 OPUUPTITVNGFJO-FQEVSTJZSA-N 443.547 5.013 30 20 IKED O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(N2CCCC2=O)cc1 18912410 ODSFCXJZMMUGHG-NTCAYCPXSA-N 448.526 5.016 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccc(Cl)cc3)o2)cc1 23426450 FTCZGQKMXOKMFG-OAHLLOKOSA-N 426.929 5.126 30 20 IKED C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 59799188 KAOCFQWRLYCGRX-QGZVFWFLSA-N 447.516 5.359 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1csc(-c2ccc(Cl)s2)n1 62896998 QHLNMMMOAZLABL-UHFFFAOYSA-N 433.942 5.191 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 63641466 SXXWVWCNMLCOLQ-QGZVFWFLSA-N 430.464 5.315 30 20 IKED Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)o2)cc1 72025324 JZNMKCZSRYKJFZ-UHFFFAOYSA-N 437.499 6.194 30 20 IKED Cc1nc(COc2cccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)c2)cs1 78719897 HGZZUZYJPIICPG-UHFFFAOYSA-N 441.512 5.947 30 20 IKED Cc1ccc(-n2ncc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)c2C(C)C)cc1 107876194 QKGJESHKVADTKL-UHFFFAOYSA-N 442.441 5.369 30 20 IKED N#CCCN(C(=O)CSc1ncc(-c2ccccc2)n1CC(F)(F)F)c1ccccc1 109622822 FXGUBPGVXSZPKZ-UHFFFAOYSA-N 444.482 5.151 30 20 IKED N#CCCCOc1cccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)c1 117534475 RVNJMZPSIXZXGL-XMMPIXPASA-N 426.472 5.076 30 20 IKED N#CCCCOc1cccc(CNCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 237920267 JCYFRKVPQYJZPG-UHFFFAOYSA-N 440.522 5.651 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1coc(-c2ccc(F)cc2)n1 303593207 PDDGCNQMLFDZHO-UHFFFAOYSA-N 428.423 5.029 30 20 IKED Cc1cc(OCc2ccccc2)ccc1NC(=O)c1ccc(COc2ccccc2C#N)o1 303655428 GCAVNTYYOYLMME-UHFFFAOYSA-N 438.483 5.870 30 20 IKED C[C@H](c1ccc(Br)cc1)S(=O)(=O)Cc1ccc(-c2ccccc2C#N)cc1 427188385 ZPMZPDBOMLBBPL-MRXNPFEDSA-N 440.362 5.664 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3cccc(NC(=O)C4CCCCC4)c3)CC2)c1 429193960 WYXMIIITKHBGHF-UHFFFAOYSA-N 446.551 5.152 30 20 IKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)c12 430622050 DZJMTIDNVYHRIM-KRWDZBQOSA-N 429.549 5.188 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccn(C2CCCC2)n1 431841477 CJKUNXQLISZLNZ-UHFFFAOYSA-N 429.524 5.079 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(Br)cn1 431972919 OLTRKQQTLQJMAE-CQSZACIVSA-N 437.297 5.391 30 20 IKED N#CCCC[C@H](NC(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)c1ccccc1 433142587 UWCYLZBHLPQHIQ-FQEVSTJZSA-N 427.430 5.448 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)N[C@@H](CCC#N)c2ccccc2)c1C 439382453 FALGBUSGDOSRNS-FQEVSTJZSA-N 442.350 5.963 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 439504350 URSMHXRSGLAENL-MRXNPFEDSA-N 431.964 6.084 30 20 IKED CCCc1c(NC(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2F)cnn1-c1cccc(C#N)c1 439667726 BQISYENGTQBCJG-BXKMTCNYSA-N 431.515 5.451 30 20 IKED Cc1ccc(C(=O)N(C)c2ccc(C#N)cc2)cc1NC(=O)c1ccc(Br)cc1 439930757 IEOIZEDAHLGYQQ-UHFFFAOYSA-N 448.320 5.158 30 20 IKED N#Cc1ccc(NC(=O)CCN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1 444745281 TZOGBBFKEIHDMG-KRWDZBQOSA-N 429.364 5.189 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1F)C1CCCC1 447022017 WOEAYGRFACYXGV-ZHRRBRCNSA-N 439.556 5.206 30 20 IKED CN(CCOCc1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 465152412 CSKPKSIUYZYXLV-UHFFFAOYSA-N 429.520 5.012 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2cccc(N3CCCC3)c2)cc1C 465463797 BTUKATMZHZNYSK-OAQYLSRUSA-N 441.579 5.172 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)cc1 467531651 HHPYCYFYVQMUNC-UHFFFAOYSA-N 430.291 5.614 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CCCc3sccc32)c1 468730505 VWGABUDKAYNTGI-HXUWFJFHSA-N 447.585 5.158 30 20 IKED COc1cc(Br)ccc1[C@H](C)NC(=O)Nc1ccccc1S[C@H](C)CC#N 470362303 IYNQYPGIQKTOOG-KGLIPLIRSA-N 448.386 5.735 30 20 IKED CC1(C)[C@H](C(F)(F)F)CCN1C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 470493964 YMTCNIWGMXPEIR-NEPJUHHUSA-N 434.327 5.264 30 20 IKED Cc1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1Br 473490098 VZAJSWSRVRYJHW-UHFFFAOYSA-N 445.367 5.025 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cc2sc(N3CCCC3)nc2s1 475757082 KNAWEKROQJWEQD-CYBMUJFWSA-N 428.608 5.462 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 476170258 VDJXQKWRGUSRGG-VWLOTQADSA-N 426.560 6.038 30 20 IKED CC(C)c1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)CCC2 476553173 SDWHEXRAQWVOEY-UWJYYQICSA-N 435.593 5.194 30 20 IKED C=C(C)[C@H](NC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)c1ccc(F)c(F)c1 479916232 WQKXPCRARUYAPW-SFHVURJKSA-N 427.373 5.381 30 20 IKED CCc1nnc(-c2ccc(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)cc2)o1 479941484 NIUCQCAENOFPLU-UHFFFAOYSA-N 426.501 5.574 30 20 IKED C=CCn1c(SCc2nc([C@@H](C)SCC)no2)nc2sc3c(c2c1=O)CCCC3 481344620 UQEKWEOUVIWKKC-GFCCVEGCSA-N 448.639 5.012 30 20 IKED C=CCn1c(SCc2nc([C@H](C)OCC(C)C)no2)nnc1-c1cccc(Cl)c1 481348141 PZWUAHIJMNJKLD-AWEZNQCLSA-N 433.965 5.193 30 20 IKED C=CCn1c(SCc2ccc(OC(F)F)c(OC)c2)nnc1-c1cccc(OC)c1 481373372 REQZRDVPZRHPSA-UHFFFAOYSA-N 433.480 5.042 30 20 IKED Cc1ccccc1-n1ncc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1C(C)C 482592915 PKQNLSRRGLEHCK-MRXNPFEDSA-N 433.462 5.539 30 20 IKED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)cc1 483448123 PHOFIHQVCBJAPN-VFNWGFHPSA-N 445.972 5.079 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)C(=O)Nc1c(C)cccc1C 489644166 OVGJFGXRJQSHBS-LJQANCHMSA-N 436.581 5.088 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)N(CC)[C@H](C)c3ccc(F)cc3)o2)cc1 489782713 KBQXPZZSKPOAPG-MRXNPFEDSA-N 441.528 5.142 30 20 IKED COc1ccc(CN[C@@H]2c3cccc(Br)c3CC2(C)C)cc1OCCCC#N 492211437 SRDNBZYIEQTXMC-JOCHJYFZSA-N 443.385 5.553 30 20 IKED Cc1nc([C@@H]2CCCCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)no1 500735062 WMQYLAVXFAPJTN-QHCPKHFHSA-N 445.523 5.172 30 20 IKED CC(C)c1nc([C@@H]2CCCCCN2C(=O)Nc2ccccc2SC[C@H](C)C#N)no1 501410398 VNUGJMXICGAJGO-AEFFLSMTSA-N 427.574 5.594 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H](c4nc5ccc(F)cc5o4)C3)c2)cc1 502100223 OKCQASGJWFIJNF-LJQANCHMSA-N 441.462 5.651 30 20 IKED Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)Nc4cc(C)n(CCC#N)n4)cc3)sc2c1 504393023 AZJVADKNPUKHTG-QGZVFWFLSA-N 444.564 5.129 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 505197637 OJXPDTVAPCFBRI-XZOQPEGZSA-N 444.556 5.644 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)c1 505932851 BWTMADVLACZZGU-NRFANRHFSA-N 435.405 5.151 30 20 IKED COc1cc(CN[C@H](CC(F)(F)F)c2ccc(F)cc2)ccc1OCC(F)(F)F 507819732 SWAINAJMBNKUOB-OAHLLOKOSA-N 425.344 5.559 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(Cc4ccccc4)CC3)c2)cc1 509906367 XWPBJLYPEGSNTH-UHFFFAOYSA-N 439.559 5.818 30 20 IKED COC(=O)c1ccc(Cl)c(CSCC(=O)Nc2ccccc2S[C@H](C)CC#N)c1 511919826 BDNVXJDKYVDAAO-CQSZACIVSA-N 448.997 5.393 30 20 IKED COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 512311680 COZFDPARXJAREZ-JOCHJYFZSA-N 440.543 5.789 30 20 IKED Cc1ccc(OCc2cccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c2)cn1 512982628 YKECBMGOGOUQTI-LJQANCHMSA-N 433.920 5.722 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(C(=O)NCC(C)(C)CCC#N)C2)n1 513151073 UDNNWNPVLBXZJP-KRWDZBQOSA-N 426.586 5.038 30 20 IKED CN(CCOCc1ccc(C#N)cc1)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 514829765 LMXOTOQYGAYHNK-UHFFFAOYSA-N 446.359 5.277 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 515371643 VOWJXKFFJBEAEI-UHFFFAOYSA-N 441.535 5.442 30 20 IKED CCCN(C(=O)C(=O)Nc1cccc(OCCCC#N)c1)[C@H](C)c1cc2ccccc2o1 517794392 OQYNJUIBTMHEAM-GOSISDBHSA-N 433.508 5.054 30 20 IKED C=CCN(C(=O)CCc1cc(Br)cs1)c1nc(-c2ccccc2)cs1 518073964 SOSPGWNLEFXZIH-UHFFFAOYSA-N 433.396 5.786 30 20 IKED COCCSc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 518255482 DRUHTMZNKDSBKN-SFHVURJKSA-N 447.560 5.972 30 20 IKED CC(C)Oc1cc(Br)ccc1C(=O)Nc1ccccc1SC[C@H](C)C#N 520835455 NHHFQFGMAAZOOD-CQSZACIVSA-N 433.371 5.740 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccccc3NC(=O)c3ccccc3)cc2)nc1 521091631 WKXWNFZAYZPUFO-UHFFFAOYSA-N 434.455 5.250 30 20 IKED CN(CCC1CCCCC1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 522526921 KPFIAXIJXPNAAE-JOCHJYFZSA-N 437.971 5.363 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1C 523536328 RWWVAEVMVNXAQS-UHFFFAOYSA-N 433.924 5.390 30 20 IKED Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cccc(Oc3ccc(Cl)cc3C#N)c1)CCC2 523889973 JQKHPMKPYWODGK-FQEVSTJZSA-N 437.952 5.919 30 20 IKED CC(C)c1nc(CCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cs1 524199947 AOSAUUWVLXPMKV-UHFFFAOYSA-N 434.565 5.276 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1c1ccccc1Cl 524437875 FAWDZXTUBSADHH-RUZDIDTESA-N 445.950 6.468 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnc(-c3ccncc3)s2)cc1Cl 525559946 SSPJMAZDQDMWNJ-LJQANCHMSA-N 430.920 5.766 30 20 IKED C=CCn1c(S[C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)nnc1-c1ccoc1C 525560301 NPMCFPAMTKPKRQ-CQSZACIVSA-N 441.944 5.513 30 20 IKED C=CCOc1c(Br)cc(CNC(C)(C)c2ncc(C)s2)cc1OCC 530714094 OANMBFGEDYACQC-UHFFFAOYSA-N 425.392 5.202 30 20 IKED C[C@](C#N)(CCc1ccccc1)NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 533046463 XPHOHQSXTNLLIG-JOCHJYFZSA-N 444.387 5.691 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCSCC(F)(F)F)cc1Cl 535789076 BFHSBXXHZJUKNB-INIZCTEOSA-N 427.879 5.412 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(-c4cccnc4)nc4ccccc34)n2)cc1 536204538 POEOBMADMKUGPW-QFIPXVFZSA-N 446.535 6.219 30 20 IKED C[C@H](c1ccccc1)n1c(SCC2(C#N)CC2)nc2ccc(Br)cc2c1=O 538660463 RUNKOXBWUHMMHY-CQSZACIVSA-N 440.366 5.164 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H]3C3CCOCC3)cc2Cl)c1 539717776 KRUACOFUDIMNNI-QFIPXVFZSA-N 439.943 5.214 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C 540397086 RIXLDAMPBFDLGJ-UHFFFAOYSA-N 448.504 5.715 30 20 IKED CCN(C(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@H](c1ccc(Cl)cc1)c1cccnc1 542139280 ACOHRDCEYCVCGE-XMMPIXPASA-N 441.922 5.044 30 20 IKED C=C(C)Cn1c(SCc2nc(-c3cccc4cnccc34)no2)nnc1-c1ccco1 545082955 LITCKAQYMZOHJK-UHFFFAOYSA-N 430.493 5.005 30 20 IKED N#Cc1cccc(-c2nnc(N3CC[C@@H](c4c(F)cccc4F)C3)n2Cc2cccs2)c1 549575670 MLFUWSYAFJCHHA-GOSISDBHSA-N 447.514 5.199 30 20 IKED COc1cc(CNC2(c3ccc(F)cc3)CCOCC2)ccc1OCc1cccc(C#N)c1 558138530 KTKZMCWQIWHVJP-UHFFFAOYSA-N 446.522 5.080 30 20 IKED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(c2cccc(Br)c2)CC1 559005350 IFADSVCAHDKIIW-OXJNMPFZSA-N 445.405 5.098 30 20 IKED N#CCSc1ccccc1NC(=O)CN1CCC(c2ccc(OC(F)(F)F)cc2)CC1 559439935 FFWLVPMIMAAPMT-UHFFFAOYSA-N 449.498 5.019 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(C3CCOCC3)CC2)cc1 562533617 QMLRDCBNTHEASJ-UHFFFAOYSA-N 435.524 5.030 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 577537765 FHTQONFWWNEFNJ-ROUUACIJSA-N 432.549 6.151 30 20 IKED C[C@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccccc1Oc1ccccc1 579133965 WWTUBKGRBZHQHB-FQEVSTJZSA-N 426.520 5.202 30 20 IKED C[C@H](NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1cccc(C#N)c1 585745458 YFHZKFCGENNJBN-BTYIYWSLSA-N 431.458 5.105 30 20 IKED COc1ccc(CNc2ccc(Br)c(C(F)(F)F)c2)cc1OCCCC#N 600848284 FFUHPVABKDMFTC-UHFFFAOYSA-N 443.263 5.771 30 20 IKED COc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1OC(F)F 603758754 FVRVSAOGZHZQDQ-GOSISDBHSA-N 442.849 5.858 30 20 IKED C=CCc1cc([N+](=O)[O-])ccc1OCc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1 603948020 RPJHTXZKMJYPFE-UHFFFAOYSA-N 443.912 5.697 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604499543 GFKBENKASBUUEG-UHFFFAOYSA-N 425.492 5.307 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)cc1 608843241 LAMAFHWBLFURPV-IZZNHLLZSA-N 443.522 5.329 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C1CCN(c2nc3ccccc3s2)CC1 608935713 DZIMXHPSRZYFEN-UHFFFAOYSA-N 432.593 5.069 30 20 IKED Cc1ccccc1OCCCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 609207380 UYTYTEPWCDRXOT-UHFFFAOYSA-N 429.520 5.231 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1ccc(Cl)c(C(F)(F)F)c1 609369515 CRLAUAHIVWSEKW-GFCCVEGCSA-N 444.931 6.484 30 20 IKED COc1ccc(CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@H](C)C2CC2)cc1 609422387 OUVHVECUQHFEKO-GOSISDBHSA-N 442.519 5.587 30 20 IKED CCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H](C)c1cccc(C(F)(F)F)c1 609437098 PJAPXHXICDLULB-HOTGVXAUSA-N 435.515 6.715 30 20 IKED Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 609502670 XYPCNOXWBKYCFG-UHFFFAOYSA-N 441.531 5.492 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(C(=O)Nc4cccnc4)cc3)c2)cc1 609659497 LLDDDERVKFWJBI-UHFFFAOYSA-N 448.482 5.037 30 20 IKED C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 609681994 DTVUZNROWNZTOB-HYBUGGRVSA-N 425.532 5.742 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCCC[C@H]2c2ccco2)cc1Cl 609928173 LIMNWYXNUGFAHR-GMAHTHKFSA-N 433.939 6.738 30 20 IKED Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 610296176 QAYWARFJHZRORS-LBPRGKRZSA-N 429.398 5.716 30 20 IKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 611362936 AJOIGXGRYSTWJB-XNMGPUDCSA-N 439.559 5.535 30 20 IKED COc1ccccc1-c1csc(C2CCN(C(=O)N[C@@H](C)c3cccc(C#N)c3)CC2)n1 616246160 OUWMXFLZTNKLLP-KRWDZBQOSA-N 446.576 5.341 30 20 IKED Cc1c(C#N)c(NC(=O)c2cc3c(C(F)F)nn(C)c3s2)n(-c2ccccc2)c1C 619277319 OJDHRAMKKDYATI-UHFFFAOYSA-N 425.464 5.104 30 20 IKED C=CCN(C(=O)c1cc(OC)ccc1Br)c1nc(-c2ccccc2)cs1 641900510 RUMRCSKDXKNIKB-UHFFFAOYSA-N 429.339 5.414 30 20 IKED COc1cn(-c2ccccc2)nc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 642281781 JOCLRLRLAKERLA-KRWDZBQOSA-N 434.908 5.148 30 20 IKED N#C[C@@H](C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1nc2cc(F)ccc2s1 677564531 RIWUUPPESYUCME-SFHVURJKSA-N 439.475 5.173 30 20 IKED C[C@@H](C(=O)N[C@@H](C#N)c1ccccc1Br)c1cccc(C(=O)c2ccccc2)c1 677766823 HEZVKKICYODRCQ-ZHRRBRCNSA-N 447.332 5.165 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N[C@@H](C)Cc2ccccc2C(F)(F)F)c1C(F)F 679515580 UGHGUIOJGROZMU-VIFPVBQESA-N 443.338 5.239 30 20 IKED O=C(NC[C@@H]1CCC(F)(F)C1)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 684676167 VOYIRNAYOGSJDQ-SNVBAGLBSA-N 441.322 5.075 30 20 IKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(Cl)s2)c1 726572118 SKPPYECPGSSFTM-UHFFFAOYSA-O 447.392 5.846 30 20 IKED CCn1c(NN=C(C)c2sc(-c3ccc(Cl)cc3)nc2C)nc2ccccc2c1=O 727648974 ZBQUPUQUNCHROZ-UHFFFAOYSA-N 437.956 5.338 30 20 IKED O=C(/C=C\c1ccc(OCc2ccncc2)cc1)c1ccccc1I 727779896 AYKWLWDKXINHRJ-YFHOEESVSA-N 441.268 5.161 30 20 IKED N#CCOc1ccc(CSc2nnc(Nc3ccc(OC(F)(F)F)cc3)s2)cc1 729240589 DZQODKYGQYUAST-UHFFFAOYSA-N 438.456 5.375 30 20 IKED C=CCc1cc(CNCc2c(C)nn(Cc3ccc(F)cc3)c2Cl)cc(OC)c1OC 729683201 FTBZYDILOSDNSA-UHFFFAOYSA-N 443.950 5.068 30 20 IKED Cc1ccc(NC(=O)Nc2cccc3c2CCN(Cc2ccc(OCC#N)cc2)C3)cc1 731485146 XHDVYKDKNRXAJF-UHFFFAOYSA-N 426.520 5.100 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2ncc(-c3cccs3)o2)cc1C 731516066 YUCSUSSOUZRZQT-UHFFFAOYSA-N 432.505 5.154 30 20 IKED N#C[C@@H]1C(CN(Cc2ccco2)c2ccc(Cl)cc2)=CC(=O)n2c1nc1ccccc12 731846146 VBZJHGMPTNLBGH-HXUWFJFHSA-N 428.879 5.177 30 20 IKED CCc1ccc(Cl)c(CC)c1NC(=O)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1 733617974 OZTJVPOFYYWYSO-QGZVFWFLSA-N 429.948 5.476 30 20 IKED O=S(=O)(O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1ccccc1C(F)(F)F 734153978 SXUISFOMQQQOHJ-CQSZACIVSA-N 432.769 5.238 30 20 IKED O=C(/C=C\c1ccc(-c2cccc([N+](=O)[O-])c2)s1)c1ccc(N2CCC(O)CC2)cc1 734235079 IZPNISFEATYDIM-NTMALXAHSA-N 434.517 5.181 30 20 IKED Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C/c1cnc2ccc(C#N)cn12 736434494 ULAUQKBNFAIOPR-BQYQJAHWSA-N 449.333 5.297 30 20 IKED N#Cc1cc(NC(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)ccc1N1CCC(O)CC1 743835334 VYSPUZKPFOQPLR-JXMROGBWSA-N 447.535 5.039 30 20 IKED C[C@@H](CC(=O)c1ccccc1F)C(=O)OCCC(C#N)(c1ccccc1)c1ccccc1 745490515 RCWJHIGWVHGZQG-FQEVSTJZSA-N 429.491 5.478 30 20 IKED Cc1sc2ncn(N=Cc3cccc(Oc4cccc(C(F)(F)F)c4)c3)c(=O)c2c1C 745985848 ZKCWPCSQJACBPP-UHFFFAOYSA-N 443.450 5.768 30 20 IKED Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 746186877 RETPXMJAEBLAQT-UHFFFAOYSA-N 429.501 5.027 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cnn(-c3ccccc3)c2)cs1 746346136 LBPZFRLUUYGSQC-FMIVXFBMSA-N 448.935 5.563 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 747108811 TUUTZCTVVANNHH-AAEUAGOBSA-N 439.726 5.415 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(C)C2c3ccccc3-c3ccccc32)ccc1OC 747954463 HRHPKTAQLBBICK-IBGZPJMESA-N 441.531 5.288 30 20 IKED CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 748834837 RYPWESAOZUWOGL-UZUQRXQVSA-N 427.570 5.236 30 20 IKED CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 748944287 SHKPOWBGQGALLH-XMMPIXPASA-N 447.510 5.172 30 20 IKED O=C(/C=C/c1nc(-c2cc(Cl)ccc2Cl)cs1)c1ccc(N2CCOC2=O)cc1 753901320 ZMPCQHAIDJHKSS-BQYQJAHWSA-N 445.327 5.970 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 758601615 GNSJBNZLMGPDMK-KZNAEPCWSA-N 446.617 5.238 30 20 IKED Cc1nc2ccccc2n1Cc1cc(NC(=O)Cc2cccc(OCC#N)c2)ccc1Cl 760453970 HUHQORNTRWWHJF-UHFFFAOYSA-N 444.922 5.130 30 20 IKED CSc1cccc([C@H](NC(=O)Cc2cccc(OCC#N)c2)c2cc(F)ccc2F)c1 760510530 JGVUUDUSYYHNJQ-DEOSSOPVSA-N 438.499 5.037 30 20 IKED CCc1cc[n+](/C(C(=S)Nc2ccc3ccccc3c2)=C(/O)c2ccc(C#N)cc2)cc1 762439142 DDNZJNOAIPNCGU-UHFFFAOYSA-O 436.560 5.885 30 20 IKED C[C@H](OC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1cccc(C#N)c1 764614862 TVDPYWIFYPGZQL-SBUREZEXSA-N 432.907 5.377 30 20 IKED N#C[C@@H](C(=O)CCc1cncc2ccccc12)c1nc2cc(C(F)(F)F)ccc2s1 765591531 XAWQTVRCKCRXKY-KRWDZBQOSA-N 425.435 5.672 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(CCCF)C2=O)c1 767735228 ROMQZEHRVKKWDJ-GESCJFKXSA-N 447.601 5.114 30 20 IKED CCOc1cc(/C=C\C(=O)c2sccc2OC)ccc1OCC(=O)Nc1ccccc1 769746163 BFZZUYDDKMXDJS-LUAWRHEFSA-N 437.517 5.069 30 20 IKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccn(CC(F)(F)F)n1 773119843 DMDQLDKYLCLIRM-UPHRSURJSA-N 431.258 5.135 30 20 IKED COc1ncc(/C=C\C(=O)C(c2nc3ccccc3s2)c2nc3ccccc3s2)cn1 773944849 VSCYMNNWPNFCJF-KHPPLWFESA-N 444.541 5.119 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1 780998717 YMJVOSDVMKGKKD-HXUWFJFHSA-N 449.551 5.183 30 20 IKED Cc1nn(C(F)F)c(C)c1COC(=O)c1ccccc1SCc1ccc(C#N)cc1 784983919 IKMNNISJBLJVKG-UHFFFAOYSA-N 427.476 5.416 30 20 IKED N#C[C@@H](C(=O)NCc1cccc(Cl)c1)C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 786531916 WDZGDUCSVASKFA-GOSISDBHSA-N 442.824 5.063 30 20 IKED CCC(CC)n1nc(C)cc1C(=O)[C@@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 787050502 KZDUZGLDYXYIEJ-CXAGYDPISA-N 435.355 5.059 30 20 IKED CCOc1cc(/C=C/C(=O)c2cnn(C(C)C)c2C)cc(Br)c1OC(F)F 787186072 FDHYIOJVALEXDT-VOTSOKGWSA-N 443.288 5.431 30 20 IKED Cc1cc([C@H](CC(=O)O[C@H](C#N)C2CCCCC2)NC(=O)OC(C)(C)C)cc(Cl)n1 788217126 DYYFRHZZYDHSCQ-ZWKOTPCHSA-N 435.952 5.015 30 20 IKED C#CCn1ccc(CN(CC)C(=O)Nc2cc(Cl)ccc2Oc2ccc(OC)cc2)n1 788551961 CUBRQQMGOSEDBW-UHFFFAOYSA-N 438.915 5.025 30 20 IKED N#C[C@@H](C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc2ccccc2n1 792111108 QUIKVSPDJSJASE-LLYBFZRZSA-N 435.327 5.557 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 797642255 ATQLGYJXORYDLG-ACJLOTCBSA-N 432.293 5.248 30 20 IKED C/C(C=Nn1cnc2ccc(Br)cc2c1=O)=C/c1ccccc1C(F)(F)F 799874650 UVPAELNBGLEORN-YMUGOBADSA-N 436.231 5.115 30 20 IKED O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1c(C(F)(F)F)ccnc1Cl 800358033 XZANHOYZMBNINV-UHFFFAOYSA-N 430.707 5.476 30 20 IKED COc1cccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2SCCO[C@@H](C)C#N)c1 801654318 IGGXTZXMNWKOMR-PVFDWLMNSA-N 449.576 5.224 30 20 IKED C[C@H](Cc1cncc2ccccc12)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 805857861 IQLQKJIVPBQNNS-FZKQIMNGSA-N 439.462 5.918 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)O[C@@H](C)c2ccc(C(F)(F)F)nc2)c1C(F)F 808954914 MZQQEZNIUCLEAK-ZETCQYMHSA-N 431.283 5.191 30 20 IKED Cc1ccc([C@@](O)(Cc2noc([C@H](F)c3ccc(C(F)(F)F)cc3)n2)C(F)(F)F)o1 809452147 ZBJMFKBVBVUJEQ-ZBFHGGJFSA-N 438.299 5.041 30 20 IKED N#Cc1ccc(OCc2cccc(-c3nc(-c4ccc(Br)cn4)no3)c2)cc1 904846984 BAHBYQVPHCFOAT-UHFFFAOYSA-N 433.265 5.012 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@H]2c2ccc(Cl)cc2)c1=S 914567023 RPFGDMCQDZDJHN-FQEVSTJZSA-N 441.000 5.724 30 20 IKED CC(=O)N[C@H](CC(=O)OCCC(C#N)(c1ccccc1)c1ccccc1)c1ccc(C)cc1 914886970 RUNMAFPGHZKSEW-AREMUKBSSA-N 440.543 5.006 30 20 IKED N#C[C@H](C(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1nc2cc(Cl)ccc2s1 917044164 QQQJYTMHRSKGRJ-QGZVFWFLSA-N 438.940 5.070 30 20 IKED CCCN(CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)Cc1ccc(C#N)cc1 917116127 KLXDXFIGBGVDEI-UHFFFAOYSA-N 445.177 6.023 30 20 IKED CCN(Cc1cccc(NC(=O)c2ccccc2SCC#N)c1)C(=O)OC(C)(C)C 918105300 FGONZZBOAMUQEJ-UHFFFAOYSA-N 425.554 5.312 30 20 IKED N#CCOc1ccccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 920111769 ZDXFGRVPYWFRLH-OAHLLOKOSA-N 428.300 5.509 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(Cc3ccc(F)cc3)n2)cc1 920874955 HZGIMMRQYFGMFB-ZHRRBRCNSA-N 449.551 5.277 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnc(O)c(C(F)(F)F)c2)cc1Cl 1136221243 ZOHDQYRLGMFKTC-MRXNPFEDSA-N 431.801 5.367 30 20 IKED CSc1nc(O)c(C(=O)N[C@@H](C)c2ccc(O[C@@H](C)c3ccccc3)cc2)cc1C#N 1531215387 HLIBFBVVGWVJNN-HOTGVXAUSA-N 433.533 5.012 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Nc3cccnc3)CCC2)cc1 1789626090 JJYJHFFEJWZXIC-LJQANCHMSA-N 434.584 5.009 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)cc3Cl)CCC2)cc1 1790569765 RFGMMBHWSUPREV-KRWDZBQOSA-N 441.959 5.197 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1791730394 GPHXMTORQPDANX-UHFFFAOYSA-N 433.939 5.153 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(C(F)(F)F)ccn3)CCC2)cc1 1791730651 OXTOCOSGKPHKNC-UHFFFAOYSA-N 443.469 5.042 30 20 IKED Cc1ncccc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792122407 LSEUCYIUNISXRD-GOSISDBHSA-N 438.531 5.079 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3cnccc3c2)[nH]n1 1814829383 OCRZDPDGWQKWAP-HSZRJFAPSA-N 443.551 5.032 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCn2cccc2)CC1 1829068951 ANOVNRINTJBGGZ-DEOSSOPVSA-N 441.660 5.271 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 1831374990 LHISHMUVGFVJDY-JXFKEZNVSA-N 437.411 5.439 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(C(F)(F)F)c2)[n+]2cccc(O)c2)cc1 11153112 QVBKYMPVWWZOSF-UHFFFAOYSA-O 445.486 5.312 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(C)c(C)c2)cc1 11162747 HGZLLUPGMMCNPK-UHFFFAOYSA-O 431.625 6.211 30 20 IKED CC(C)c1ccc([C@H](NCC(=O)Nc2ccccc2SCC#N)c2cccs2)cc1 15362375 FOKWBXNDMFYHQR-DEOSSOPVSA-N 435.618 5.805 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2ccccc2)cc1 22730301 CBQBNCXWMFJNOV-UHFFFAOYSA-O 443.495 5.025 30 20 IKED CCCn1c(SCC(=O)Nc2ccccc2SCC#N)nc2cc(Cl)ccc21 26084281 CCONDSZCBAENER-UHFFFAOYSA-N 430.986 5.446 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cccc(OCc4cscn4)c3)c2)c1 32289729 IXMRBOCWXTXHIM-UHFFFAOYSA-N 441.512 5.425 30 20 IKED C=C(C)COc1cc(CNCc2cccc(NC(=O)c3ccc(F)cc3)c2)ccc1OC 60948627 GWDLAWUFGZZFFO-UHFFFAOYSA-N 434.511 5.331 30 20 IKED Cc1ccc(-n2c(SC[C@H](C#N)CCC#N)nc3sc4c(c3c2=O)CCC4)c(C)c1 61725835 UCYISWJSSBEYAT-INIZCTEOSA-N 434.590 5.088 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CC[C@H]1Cc2ccccc2NC1=O 72025342 OSIYDHFSIWOSRT-FQEVSTJZSA-N 425.488 5.189 30 20 IKED Cc1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(C)n1-c1nccs1 97496850 TXHHFBBZAMTFRX-UHFFFAOYSA-N 442.544 5.448 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccccc1F 216106490 NTORIUCGPNVHHK-AWEZNQCLSA-N 430.936 5.351 30 20 IKED Cc1sc(NC(=O)c2occc2COc2cccc(C#N)c2)nc1-c1ccc(F)cc1 303110351 FXYSBJCKWLDZDW-UHFFFAOYSA-N 433.464 5.554 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1(c2cncc(Br)c2)CC1 409523826 ZRBQETMVLUYDIJ-UHFFFAOYSA-N 448.320 5.487 30 20 IKED N#Cc1c(NC(=O)c2ccc(Sc3ccccc3Cl)nn2)sc2c1CCCC2 428349289 AXSXOFUNLAFKDN-UHFFFAOYSA-N 426.954 5.345 30 20 IKED CC(C)CCN(CCC#N)C(=O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1 428873080 RIFPUXXFXIAVSN-UHFFFAOYSA-N 446.349 5.170 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NC(=O)N[C@H](CCC#N)c3ccccc3)s2)cc1 429077751 LOUOALWMANYDSR-LAUBAEHRSA-N 434.565 5.532 30 20 IKED Cc1c(C#N)cccc1NC(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 431699696 WVIAWYLFAMHITA-QGZVFWFLSA-N 430.483 5.070 30 20 IKED C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(Br)cn1 432065288 SPQLGVKHIHMTOI-AWEZNQCLSA-N 437.297 5.391 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(COCc4ccccc4)cc3)CC2)cc1 432141194 ZOEHZHPCERJPKH-UHFFFAOYSA-N 441.531 5.350 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)cc1F 437463016 YHCXUVCODRRZLH-UHFFFAOYSA-N 434.452 5.172 30 20 IKED CCCc1c(NC(=O)CCCc2ncc(-c3ccccc3)o2)cnn1-c1cccc(C#N)c1 440069257 GPXPWSSTNNUIKS-UHFFFAOYSA-N 439.519 5.313 30 20 IKED CCCc1c(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)cnn1-c1cccc(C#N)c1 440093562 HLBAMCBPSURXLM-UHFFFAOYSA-N 438.453 5.386 30 20 IKED CCCCc1ccc([C@H](NC(=O)C(=O)Nc2cccc(C)c2C#N)c2cccs2)cc1 441597568 LIEZIBQEIGBUMZ-QHCPKHFHSA-N 431.561 5.115 30 20 IKED CCN(C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[C@@H](C)c1ccc(F)cc1 441703156 RYDAOAZKZFFKQA-INIZCTEOSA-N 449.457 5.177 30 20 IKED Cc1sc(Br)c(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1C 442511130 QBWQLFWCFHLITG-AWEZNQCLSA-N 442.363 5.613 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)Nc1cccc(Oc2ccccc2)c1 446419657 PTVUFGJLFLNWEJ-QGZVFWFLSA-N 431.517 5.450 30 20 IKED C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1cccc(N2CCCC2)c1 446943887 LXNRDJPKNOBAHQ-KRWDZBQOSA-N 431.565 5.088 30 20 IKED Cc1nnc(-c2cccc(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)c2)n1C 448194325 SSWZWGAVZLMOKG-UHFFFAOYSA-N 443.894 5.360 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)c1cnc(-c2ccccn2)s1 460157368 ZCBLQMQOQSTCLM-UHFFFAOYSA-N 430.920 5.577 30 20 IKED Cc1ccc(-n2ncc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)c2C2CC2)cc1Cl 464469232 RQKCYOKIMMKPLI-MRXNPFEDSA-N 444.844 5.615 30 20 IKED C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469949130 AQGGTEQHNRWVFC-OAHLLOKOSA-N 444.362 5.394 30 20 IKED Cc1nc2cc(C(=O)Nc3cc(C#N)ccc3OC(C)C)ccc2n1Cc1ccsc1 472459835 QKPRPGJSAJZYDB-UHFFFAOYSA-N 430.533 5.366 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1 472908261 TUFKHQLETQTBCC-UHFFFAOYSA-N 433.487 5.315 30 20 IKED CC[C@@H](C)c1ccc([C@H](NC(=O)N2CCC(C#N)(COC)CC2)c2cccs2)cc1 476840542 BMLFLOVKQLHGMB-GCJKJVERSA-N 425.598 5.313 30 20 IKED C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 480282695 JQMSZWMVZHUTPX-KUHUBIRLSA-N 430.430 5.005 30 20 IKED C=C(C)[C@H](NC(=O)Nc1cccc(CSC2CCOCC2)c1)c1ccc(F)c(F)c1 480759363 GCDJQLQNGKEBFJ-QFIPXVFZSA-N 432.536 5.816 30 20 IKED CCc1ccc([C@@H]2COCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)o1 480822331 JPDPFAJDCQHMDY-QHCPKHFHSA-N 431.492 5.420 30 20 IKED C=CCn1c(SCc2nc(-c3cccc(Cl)c3)no2)nnc1-c1cccc(OC)c1 481394797 XQXPOUUGAFLGMO-UHFFFAOYSA-N 439.928 5.135 30 20 IKED C=C(C)Cn1c(SCC(=O)N(Cc2ccco2)c2ccccc2)nnc1-c1ccco1 481433272 JNYBXWLKDLFRTF-UHFFFAOYSA-N 434.521 5.033 30 20 IKED C=C(C)[C@@H](NCc1csc(N(C(C)=O)c2ccccc2CC)n1)c1ccc(F)c(F)c1 481631733 UMZFEXBEIHFCOT-HSZRJFAPSA-N 441.547 6.075 30 20 IKED N#CCC[C@@H](NC(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1ccccc1 482418944 VRKHQTBFHBFDAQ-IAGOWNOFSA-N 427.373 5.236 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)o2)cc1 489788636 QNBDEPWCLFLLFJ-UHFFFAOYSA-N 436.320 5.339 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)c1nc2ccccc2n1C(F)F 492081439 PICGYONQKDXAAW-MRXNPFEDSA-N 439.368 5.992 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3C[C@H]3c3cccc(Cl)c3)s2)cc1 493761398 FHCMHHGMIADURH-IRXDYDNUSA-N 426.954 5.098 30 20 IKED Cc1cc([C@@H]2CN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)CCO2)ccc1F 497590532 JAIVWRGTIZCZSW-VWLOTQADSA-N 430.479 5.206 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)COc2cc(C(F)(F)F)ccc2Cl)cc1 498063203 GORNJLBSHPMLRE-UHFFFAOYSA-N 426.822 5.083 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)cc(OC)c1OC 498515847 LQDLFLUBANWYMK-UHFFFAOYSA-N 437.540 5.093 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccccc2OC2CCCC2)cc1C 498631962 PKTADSOAJPYOTQ-UHFFFAOYSA-N 442.563 5.332 30 20 IKED CN(Cc1ccccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C1CCCCC1 503606985 BMFGFUOFLWPZCR-UHFFFAOYSA-N 428.580 5.644 30 20 IKED COc1cc(C)ccc1Oc1ccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cn1 503644706 SOAHEJJQYCBFDO-UHFFFAOYSA-N 440.503 5.384 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)N[C@H](Cc3ccc(Cl)cc3)c3ccccn3)CC2)cc1 504974185 XUNUNTCOJDPDOX-RUZDIDTESA-N 442.950 5.389 30 20 IKED C=CCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 508913254 OLULCBVQTKQJHQ-LJQANCHMSA-N 444.514 5.013 30 20 IKED N#Cc1c(NC(=O)c2ccc(CN3CCSCC3)cc2)sc2c1CCCCCC2 508958855 LQDOHYCZXYYOLT-UHFFFAOYSA-N 425.623 5.080 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](c1ccccc1)c1nccs1 509227906 SKYNQHVHSNJIHQ-HSZRJFAPSA-N 440.528 6.027 30 20 IKED COCCSc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 509228465 VKMZBYQGKHOFMP-SFHVURJKSA-N 447.560 5.972 30 20 IKED CCN(C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C)[C@H](C)c1ccc(C#N)cc1 509564589 OTJQBVCALZJNLG-QGZVFWFLSA-N 427.508 5.367 30 20 IKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccccc1F 510518796 QAZCHSUYGJXGBY-QHCPKHFHSA-N 441.466 5.134 30 20 IKED C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511371614 COUNMHVALQITSO-SFHVURJKSA-N 433.939 6.210 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3CCc4ccccc4[C@H]3c3ccccc3)CC2)c(F)c1 511879153 NXCIWAJNPJZFCP-HHHXNRCGSA-N 439.534 5.088 30 20 IKED CC(C)(CCC#N)CNC(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 513113537 OZWXGJZYJBIIDM-HSZRJFAPSA-N 439.003 5.087 30 20 IKED COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Nc2ccc(Oc3ccccc3C#N)cc2)c1 513201224 MKGKOTLMPNHXQJ-QZTJIDSGSA-N 445.519 5.046 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1 513781391 NFAQHPGQBVZLSR-CQSZACIVSA-N 435.376 6.237 30 20 IKED C=CCn1c(SCc2nnc(-c3ccc(OCCCC)cc3)o2)nc2ccccc2c1=O 514434141 BPJGBLXAFYPSJN-UHFFFAOYSA-N 448.548 5.104 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc3ncccc23)nnc1-c1ccc(Cl)cc1 514955249 MODNREJWRXJFNA-HNNXBMFYSA-N 449.967 5.452 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)n2)cc1 516700365 CUPHSSDWLYYUSM-UHFFFAOYSA-N 436.496 5.385 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1coc(-c2cccs2)n1 517975645 UVVXJUQVIAGXRM-UHFFFAOYSA-N 429.501 5.343 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1cc2c(cc1Cl)OCCO2 518127484 APALENXSZURBBI-ZDUSSCGKSA-N 434.970 5.094 30 20 IKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)N1CCc2ccccc2C1 520834293 YMVBIRMOAQNLLO-OAHLLOKOSA-N 433.499 5.096 30 20 IKED CC(C)[C@H](Oc1ccccc1Br)C(=O)Nc1ccccc1SC[C@H](C)C#N 520837199 MMELNNMEURKYCR-QRWLVFNGSA-N 447.398 5.743 30 20 IKED CCCC[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 521740159 PGSKEWRSZANHOG-GOEBONIOSA-N 441.519 5.125 30 20 IKED Cc1csc(Sc2ccc(NC(=O)N3CCN(c4ccccc4C#N)CC3)c(C)c2)n1 521783811 BZELHTMPXUISCR-UHFFFAOYSA-N 449.605 5.137 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(-c4cnc(C5CC5)o4)cc3)c2)c1 522321443 SEFJBUDJOQQDPH-UHFFFAOYSA-N 435.483 5.922 30 20 IKED CC[C@H](Cc1cccc(Br)c1)C(=O)Nc1ccccc1SC[C@H](C)C#N 522683354 CUHSLHAODHMMIX-NVXWUHKLSA-N 431.399 5.908 30 20 IKED CN(C(=O)c1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1)c1ccccc1 535314901 OIJGQOJIXDOJFQ-IBGZPJMESA-N 445.931 5.716 30 20 IKED CN(C(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1)c1ccccc1 535315985 XXDQTWHPWLJRSD-QFIPXVFZSA-N 437.524 5.577 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 538681079 ZDJFCNNLUFMZRI-UHFFFAOYSA-N 431.879 5.148 30 20 IKED Cn1cnc(-c2ccc(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)cc2)n1 542460721 OTECYYJKFNPHHI-UHFFFAOYSA-N 429.867 5.052 30 20 IKED Cn1cc(Oc2ccccc2C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cn1 549423228 KIKZJVAGLGIVES-SFHVURJKSA-N 434.908 5.479 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)c(F)c1 552674021 OAQWLFFSYQLPHE-UHFFFAOYSA-N 426.797 5.053 30 20 IKED C=C(C)[C@H](NC(=O)Nc1ccc(Cc2nc(C(C)C)no2)cc1)c1ccc(F)c(F)c1 555031236 LCZRHPZJBWQLLM-NRFANRHFSA-N 426.467 5.501 30 20 IKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N 570812079 CFDATWXOXQNKTR-GFCCVEGCSA-N 437.487 5.094 30 20 IKED N#CC1(c2ccc(-c3nc(-c4ccc(Br)cc4OC(F)F)no3)cc2)CC1 571750509 SAGPONQDUWOHKU-UHFFFAOYSA-N 432.224 5.323 30 20 IKED COc1ccc(C(=O)CCCCC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 573145749 RIRJIECYNZTRKT-UHFFFAOYSA-N 429.476 5.136 30 20 IKED C=CCCc1ccccc1NC(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 574961765 GKFAZUMSWBFZHR-UHFFFAOYSA-N 430.430 5.282 30 20 IKED C=CCN(Cc1cccs1)C(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 589221956 MDWMCEPPKJVPIN-UHFFFAOYSA-N 442.588 5.558 30 20 IKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)[nH]c2c1C(=O)CC(C)(C)C2 591137524 WVWSEAQGXUWLIW-IBGZPJMESA-N 445.950 6.039 30 20 IKED CC(C)c1ccccc1N(C(=O)COc1ccc(C#N)cc1)c1nc2ccccc2s1 600849523 OXYMCSGKAYWYEV-UHFFFAOYSA-N 427.529 6.035 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603572846 HMAYDURPHZRPMM-ZSHCYNCHSA-N 440.387 5.865 30 20 IKED Cc1csc(Sc2ccc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)cc2[N+](=O)[O-])n1 603835678 GJUBEHJVBUWVTN-MRXNPFEDSA-N 446.513 5.549 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)o1 603913778 NDKLSXQIDSUFPI-UHFFFAOYSA-N 437.455 5.235 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 604130100 QHNGCBMZENKQRN-HXUWFJFHSA-N 428.536 5.215 30 20 IKED CCCN(Cc1ccccc1F)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 604500486 JJDQBOMVTNEFJG-UHFFFAOYSA-N 431.511 5.915 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC[C@@H](Cc2ccc(F)cc2)C1 605956515 QIIOKBVTWWLZFR-RRFJBIMHSA-N 440.403 5.309 30 20 IKED C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 606174433 MCMNVIKQZWUVRU-BSLXNSKLSA-N 449.357 5.910 30 20 IKED CCC(CC)(C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 608847970 PWPTYBPBAGPUJA-UHFFFAOYSA-N 437.971 5.147 30 20 IKED N#C[C@@H](NC(=O)CCc1nc2ccccc2s1)c1ccc(OCc2ccccc2)cc1 609028839 UQYROMDPCXEEGK-JOCHJYFZSA-N 427.529 5.189 30 20 IKED Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609104713 NZSYJBJYOCZFAM-UHFFFAOYSA-N 427.435 5.492 30 20 IKED COc1ccc(C(C)(C)CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1OC 609398339 MJHSLFQKPNHVOF-INIZCTEOSA-N 427.570 5.055 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3nc(O)c4ccccc4n3)n2)o1 609604416 GWQTXYUZDXAYMV-UHFFFAOYSA-N 442.422 5.482 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 609858817 IPZHHGLMGDHGJO-UHFFFAOYSA-N 429.807 5.525 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 610053845 RAAUNXXRXDLZMK-UHFFFAOYSA-N 445.523 5.108 30 20 IKED C[C@H](NC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)c1cccc(C#N)c1 610364630 WUMDNYUTMLTIFY-LSDHHAIUSA-N 425.941 5.366 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC3(CC2)OCc2ccccc23)cc1 610741914 CKEGZDFJXXBOSH-UHFFFAOYSA-N 428.463 5.151 30 20 IKED CC(C)c1ccc(-c2nc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cs2)cc1 613403615 HIVGDYLGRRTNTK-INIZCTEOSA-N 436.487 6.168 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3cc(F)c(OC(F)F)cc3F)c2)c1 618779192 WRUMQYFQWKWIOS-UHFFFAOYSA-N 430.357 5.269 30 20 IKED Cc1ccc(NC(=O)N2CCC[C@@](C)(C#N)C2)cc1Oc1ncccc1Br 619208346 CXRKOTJAUWHROW-FQEVSTJZSA-N 429.318 5.102 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2F)C(C)C)nnc1-c1ccccc1OC 639430228 ZCQHWPZBSPSZJX-HXUWFJFHSA-N 440.544 5.034 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 670227838 BLBLTEXSKFVZHX-AHWVRZQESA-N 446.595 5.175 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1nc(-c2ccccc2)oc1-c1ccccc1 672218418 SLTBGQURMULWNL-UHFFFAOYSA-N 428.488 5.312 30 20 IKED O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674463450 PXUWZBXTMIHLEK-ULQDDVLXSA-N 434.355 5.178 30 20 IKED O=C(/C=C\c1ccc(N2CCOCC2)c(F)c1)c1cc2cc(Br)ccc2o1 727263578 DNPSNTAQVOBLQU-DJWKRKHSSA-N 430.273 5.067 30 20 IKED Cc1nc(-c2ccccc2)sc1C(=O)/C=C/c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 727781261 IKSRFHRPMJQLPT-JLHYYAGUSA-N 430.489 5.323 30 20 IKED N#C[C@H](C(=O)/C=C/c1cccc(OC2CCCC2)c1)C(=O)Nc1ccc(Cl)cc1Cl 727953986 JWQBZMMQXIFYBO-UFUQCMIWSA-N 443.330 5.676 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)o1 728032261 ABFWRZBMZKXHHX-HXUWFJFHSA-N 440.421 5.726 30 20 IKED O=C(NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)Nc1ccc(F)cc1C(F)(F)F 729569349 NSORXLUVWQNDLO-OAHLLOKOSA-N 444.734 5.070 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1OCc1cn2ccccc2n1 730996714 YVCVAKPMHOYBSS-SFHVURJKSA-N 442.544 5.417 30 20 IKED COc1cc(C)c(C(=O)/C=C\c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1OC 731317646 CEWHTPDTKYAEKZ-QXMHVHEDSA-N 439.515 5.215 30 20 IKED CC(=O)C1=C(c2ccc(C)cc2)N(Cc2ccc(C(=O)O)cc2)C(=O)N[C@@H]1c1ccsc1 731471403 SNIXPCHWTVUCMI-JOCHJYFZSA-N 446.528 5.022 30 20 IKED Cc1cc(-c2noc([C@H](C)OC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)n2)ccc1F 732402992 YLINZUXDXQEMPT-HNNXBMFYSA-N 444.422 5.161 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)ccc1OC 733644913 GVPIMFJAOPXWDL-ZJSXRUAMSA-N 439.531 5.246 30 20 IKED C[C@@H](Oc1ccc(F)cc1Cl)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 733682505 MEPRJIDGLBJULE-WBMJQRKESA-N 425.872 5.118 30 20 IKED FC(F)(F)c1cc(NN=C2CCCOc3ccc(Cl)cc32)nc(-c2cccnc2)n1 733747123 GFNCNJAWOBYTAA-UHFFFAOYSA-N 433.821 5.200 30 20 IKED CN1C(=O)C[C@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)[C@H]1c1cccc(Cl)c1 734392016 NTSQSBNXAFCGGB-JBRSBNLGSA-N 443.934 5.154 30 20 IKED C=CC[C@@H](NC(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccncc1 734657519 HUHHVPMWFJYFSK-MHECFPHRSA-N 446.526 5.080 30 20 IKED C=CC[C@@H](NC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1)c1ccncc1 734683249 KELYGXOEVVEFDM-JOCHJYFZSA-N 447.410 5.313 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 739533486 DFBQXOPNRPITCR-UNMCSNQZSA-N 435.524 5.291 30 20 IKED N#CCOc1ccc(CNC(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)cc1 741072621 AGFGSUKTYZIYAE-UHFFFAOYSA-N 429.851 5.218 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)c1csc(-c2ccccn2)n1 741920903 NXILIODGEFMSKL-UHFFFAOYSA-N 430.920 5.577 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 742536921 FMZXNWHVZCPILL-HSZRJFAPSA-N 426.907 5.742 30 20 IKED Clc1ccc(CSc2nncn2N=Cc2ccc(Br)cc2Cl)cc1 743431308 VSOYSFLUGSFDRP-UHFFFAOYSA-N 442.169 5.522 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1NC(=O)OC(C)(C)C 744116108 NFBRXHKNOKDFJL-HNNXBMFYSA-N 425.485 5.581 30 20 IKED COc1cc(/C=C/C(=O)c2cnn(-c3ccccc3)c2)cc(Br)c1OC(F)F 746347016 WXIBFCLGPBBVEY-BQYQJAHWSA-N 449.251 5.141 30 20 IKED CCN(Cc1cccc(Br)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 746658026 ANWMTQHPOCPNGI-HSZRJFAPSA-N 448.364 6.159 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)cc1OC 750826517 OXABGTGHRHJIJU-WQLSENKSSA-N 442.943 5.046 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)cc1C#N 752248452 SLYWLURYKCYQCP-UHFFFAOYSA-N 437.500 5.064 30 20 IKED CCCCC[C@H](NC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)c1ccccc1 752393513 NJOMRIPNFWPKMV-FQEVSTJZSA-N 432.549 5.058 30 20 IKED CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N(C[C@@H](C)C#N)C2CC2)c1=S 754174116 DEJGQEPCDDZGCK-INIZCTEOSA-N 446.020 5.075 30 20 IKED C[C@H](OC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(F)c(C(F)(F)F)c1 754373333 RMXJTYYUQYAUSL-HNNXBMFYSA-N 436.405 5.176 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(C3CC=CC3)C2=O)c1 759694257 NILZOLLUNNKRBY-NRFANRHFSA-N 437.540 5.121 30 20 IKED COc1ccc(/C=C2/CCc3ncc(C(F)(F)F)cc3C2=O)c(OCc2cccnc2)c1 766490407 ILWOKGPCRWVCDM-MFOYZWKCSA-N 440.421 5.296 30 20 IKED C[C@H](C#N)Oc1ccc(CNc2ccc(CC(=O)N3CCCc4ccccc43)cc2)cc1 770549009 CHWALSDMYOQHDG-HXUWFJFHSA-N 425.532 5.111 30 20 IKED COc1cc(CNc2cccc(CC#N)n2)cc(Br)c1OCc1ccccc1 771755852 JGQMFLSIECDIES-UHFFFAOYSA-N 438.325 5.110 30 20 IKED O=C1C=CC=N/C1=C(\O)NCCN[C@@H](CC1CCCC1)c1ccc(Oc2ccccc2)cc1 772985034 PZRQDBSCUFOPDR-QWEPBSKHSA-N 445.563 5.216 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cccn1[C@@H](C)Cc1ccccc1 773772064 UZXROIXSTBPCJU-CVDCTZTESA-N 427.548 5.378 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(C(C)(C)C(F)(F)F)cc1 774045041 WREVSSMNAAPECZ-LJQANCHMSA-N 430.470 5.612 30 20 IKED CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)Cc2ccccc2CC#N)cc1 776824605 OKGDDNCLZOGTEL-UHFFFAOYSA-N 425.532 5.484 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(O)(c3c(F)cccc3F)CC2)cc1 779410294 FAAIYTPJHUCVOA-UHFFFAOYSA-N 449.457 5.144 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2cccc(Oc3ccccn3)c2)cc1 784772088 DJDRIUXTZJHXIB-XMMPIXPASA-N 448.482 5.107 30 20 IKED C[C@H](CC(=O)[C@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 786511892 HHOKIBVIZGJEIU-LBTNJELSSA-N 442.346 5.555 30 20 IKED C[C@@H](NC(=O)[C@H](C#N)C(=O)c1cncc(-c2ccccc2)c1)c1ccc(Cl)cc1Cl 787052614 NKZOUEQETFEMHX-JLTOFOAXSA-N 438.314 5.255 30 20 IKED Cc1c(C(=O)/C=C\c2cccc(/C=C/C(=O)c3cnn(C(C)C)c3C)c2)cnn1C(C)C 787187643 UMVFKJQBBJTDMS-PJABCKPXSA-N 430.552 5.650 30 20 IKED N#C[C@H](C(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1)c1nccc2ccccc12 792098128 BKIOPNNPZOQVGC-CPJSRVTESA-N 430.479 6.223 30 20 IKED COc1cccc(C(=O)CCCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 796756905 QLTNDQFOTUMNAQ-INIZCTEOSA-N 446.450 5.553 30 20 IKED Cc1ccccc1[C@@H](O)C1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 806207263 MLTIDYUUUMUBJA-VWLOTQADSA-N 442.519 5.032 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)NCC1(c2ccc(Br)s2)CCC1 806401364 PYPFZONPWZPCRB-CYBMUJFWSA-N 434.359 5.045 30 20 IKED N#Cc1ccc(C[C@H](C#N)c2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)no2)cc1 809364306 UCSWJONECVUCOQ-LJQANCHMSA-N 437.415 5.159 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(Cl)ncc1Br 812905484 DSFNLGVCVWDATP-UHFFFAOYSA-N 443.688 5.117 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1cccc(C)c1 855522722 WUIQCKYJSPOPRA-FQEVSTJZSA-N 445.592 5.175 30 20 IKED COc1cc(C2SCCS2)ccc1OC(=O)CSc1nc(C)c(C)c(C)c1C#N 869767434 MTVGPPXZNIGKBC-UHFFFAOYSA-N 446.619 5.063 30 20 IKED COc1cccc2cc(/C=C/C(=O)c3ccc(OCC(=O)Nc4ccccc4)cc3)oc12 916128140 SGODMCBVXLKWOK-CCEZHUSRSA-N 427.456 5.355 30 20 IKED CCCCn1nc(C)c(C=Nn2c(S)nnc2Cc2cccc3ccccc23)c1Cl 916278439 LAHYZMCZASXTCN-UHFFFAOYSA-N 438.988 5.151 30 20 IKED CC[C@@H](C)NC(=O)c1cccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 916477222 TYWCAAOCBBOTFP-CLOONOSVSA-N 440.547 5.192 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1 916913929 IIGZCGJVXWNFKI-QFIPXVFZSA-N 428.488 5.453 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)cc1 916915251 HQSXMZLHXWXBOT-YADARESESA-N 441.531 5.525 30 20 IKED CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)c1cccc(NC(=O)c2ccco2)c1 917556705 IVLFYNXEXISSAX-BZZOAKBMSA-N 433.533 5.056 30 20 IKED Cc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(C(C)(C)C)cc2)cc1 917613223 NDJVTDZRMZPLGO-UHFFFAOYSA-O 428.581 5.775 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cccc(OCc2cccc(Cl)c2)c1 920110961 WZEUDODUUMXMLM-OAQYLSRUSA-N 448.906 5.279 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C4SCCS4)cc3)n2)cc1 920138185 BLRGNMCDSWLUBZ-GOSISDBHSA-N 438.599 5.787 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)COc2ccc(Cl)cc2C2CCCCC2)n1 920328651 SMDUTVIPNUCXPK-QGZVFWFLSA-N 446.956 5.276 30 20 IKED Cc1nc2sc3c(c2c(=O)n1N=Cc1csc(-c2ccsc2)n1)CCCCC3 920362387 ABWBDENURFGOPK-UHFFFAOYSA-N 426.592 5.103 30 20 IKED CCCN(Cc1nc(O)c2sccc2n1)C(=O)Nc1cccc(C#Cc2cccs2)c1 1115845053 OFQGWIIFNDFKCW-UHFFFAOYSA-N 448.573 5.302 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccsc4)CCC3)cc2)cc1 1790703620 VKQCOUDQOVPYSK-NYYWCZLTSA-N 441.556 5.275 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3OCC)CCC2)cc1 1791300708 WFCJYECGUPRNRF-UHFFFAOYSA-N 428.479 5.044 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cs3)CCC2)cc1 1791582622 GKWLBPVWOYJUEW-UHFFFAOYSA-N 445.382 5.062 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)C3(c4cccc(F)c4)CC3)CC2)C1 1804859614 FHKGDHQMNBJMBA-UHFFFAOYSA-N 440.603 5.081 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)CCc3ccc(C)c(F)c3)CC2)C1 1805452278 XATWSMZURBTAQC-UHFFFAOYSA-N 440.603 5.066 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3ccoc3c2)[C@H]1c1cccnc1 1812149155 XUEOSKPWJOZIQF-ISKFKSNPSA-N 445.563 5.140 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2F)[nH]n1 1819301759 QXLKTTDBBSABGF-OXJNMPFZSA-N 444.938 5.277 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@]2(F)CCCC=C2F)n[nH]1 1823582190 FPUNNKHZLSLXFS-UZUQRXQVSA-N 434.531 5.140 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccccc3)CC2)CC1 1824137378 HNSHIAJZGKYJGI-VWLOTQADSA-N 434.624 5.106 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCCCC2(F)F)CC1 1824645214 BDBGHEMNQUOPNQ-SFTDATJTSA-N 438.603 5.424 30 20 IKED Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)c1Cl 1829957164 BEOGGMPMKMDHPV-HSZRJFAPSA-N 449.982 5.067 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(F)c2F)CC1 1830776273 NBQRDBZBQJWBFL-REWPJTCUSA-N 444.566 5.275 30 20 IKED CCCCC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1 1831464372 BYRCKVVFEKNINJ-NTKDMRAZSA-N 441.591 5.147 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832631960 JSSDYTFENLWVSJ-QGDZQMKYSA-N 447.623 5.315 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc(F)ccc2F)CC1 1832778163 NYZOHPUBOWBGHE-HSZRJFAPSA-N 446.582 5.119 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccccc2)c(C)n1C 10179221 MXWBWPIGAWJODM-UHFFFAOYSA-O 433.384 5.287 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccccc2)c(C)s1 10179405 IKBMPNXPJWEHLZ-UHFFFAOYSA-O 436.409 6.010 30 20 IKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2ccccc2)cc1 11159515 OYFVCERLEJTQFB-UHFFFAOYSA-O 444.407 6.455 30 20 IKED C=CCn1c(C)nnc1S[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 21138014 ICNWGZFUYHMHPG-SFHVURJKSA-N 432.471 5.263 30 20 IKED COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 30847825 UIXDWHABYLGYQW-UHFFFAOYSA-N 431.448 5.449 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2nc3ccccc3s2)cc1Cl 60739712 RLJNTLKDQIURRE-LJQANCHMSA-N 431.948 6.176 30 20 IKED C=CCn1c(SCc2cccc(C(=O)Nc3ccccc3)c2)nnc1-c1ccncc1 97506472 SNYDHCCLPLYYKY-UHFFFAOYSA-N 427.533 5.071 30 20 IKED N#Cc1ccccc1-c1ccc(CN2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1 110983959 WWCAWAJISGYKNE-UHFFFAOYSA-N 430.939 5.124 30 20 IKED C=CCc1cc(CNCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)cc(OC)c1O 237270154 QBYOLDNUAKVUOV-UHFFFAOYSA-N 445.485 5.240 30 20 IKED CC(=O)N(c1nc(CSc2nc(C)nc(C)c2C#N)cs1)c1c(C)cc(C)cc1C 247864898 IDWPNIFMOPGLFV-UHFFFAOYSA-N 437.594 5.324 30 20 IKED CCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 255944785 XUCZASBJZQLBBN-UHFFFAOYSA-N 443.572 5.585 30 20 IKED CC(C)n1c([C@@H]2CCCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)C2)nc2ccccc21 302613706 BYJDISDFZCFCEG-QGZVFWFLSA-N 440.507 5.329 30 20 IKED COc1cc(C(=O)Nc2ccccc2C#N)ccc1OCc1ccc(Br)cc1 409526288 BCNCYQLFRKVIKU-UHFFFAOYSA-N 437.293 5.161 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC(c3ncccc3Cl)CC2)cc1 428972250 FEYXWQCYCDTOPA-UHFFFAOYSA-N 430.939 5.363 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(-c4ncc5n4CCCC5)c3)o2)cc1 436170384 AYYHXGMPQKZVTO-UHFFFAOYSA-N 438.487 5.182 30 20 IKED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1 437493226 SVESUZYZCWYIAB-XBMKMNTQSA-N 448.588 5.333 30 20 IKED C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CCN1C 438542825 VZYDLIPBHTYKTG-DNVCBOLYSA-N 446.473 5.316 30 20 IKED O=C(Nc1ccc(OC2CCCC2)c(F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 438649981 WMVGRMWBGUOFQE-UHFFFAOYSA-N 428.348 5.496 30 20 IKED CCn1ncc(NC(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1C(F)(F)F 439905873 UYLNRUBFSUBXGU-NSHDSACASA-N 448.289 5.366 30 20 IKED Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C1CC1 441905898 ROWGHZPSLQAQRI-XMMPIXPASA-N 443.478 5.004 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cccc(NC(=O)[C@H](C)OC)c1)c1ccc(C(F)(F)F)cc1 442204337 BFTVVKZHFGWJEB-MGPUTAFESA-N 449.473 5.508 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1-c1nc([C@H]2CCOC[C@@H]2C)no1 442680622 MIWSKTKZVFLVHI-KSSFIOAISA-N 438.553 5.215 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCc1coc(-c2c(F)cccc2F)n1 443451676 GYZLFOOLDRUWCX-UHFFFAOYSA-N 440.475 5.269 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)cc1 443908080 NUIUKGVAPBMZOZ-UHFFFAOYSA-N 445.910 5.239 30 20 IKED N#CCCCn1cc(C(=O)N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)c2ccccc21 444037829 OFBLWCKYYYIMDA-RUZDIDTESA-N 436.515 5.055 30 20 IKED CC(=O)Nc1cc(C(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)ccc1F 444438275 NRYRJUJXVDGCQK-MRXNPFEDSA-N 436.327 5.226 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 447418583 OSVHQOGKYXPINK-KRWDZBQOSA-N 447.516 5.820 30 20 IKED Cc1cc(-n2cncn2)ccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 460716807 IAOQSCFMQAJRGK-QFIPXVFZSA-N 427.895 5.137 30 20 IKED C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC(n2c(C)nc3ccccc32)CC1 460780755 RNTKEULHMZQFJP-UHFFFAOYSA-N 444.558 5.084 30 20 IKED C=C(C)Cn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCC[C@@H]1c1noc(C(C)C)n1 460949412 LKIHHZVGXGQAJW-QGZVFWFLSA-N 447.370 5.676 30 20 IKED C[C@@H]1C[C@H](c2ccccc2F)N(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)C1 461653371 BELAIZOJNUWPHS-UTSGNWPNSA-N 445.542 5.112 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cnn1-c1cccc(C(F)(F)F)c1 464414036 ZIRZGAUBQQADPN-OAHLLOKOSA-N 438.331 5.103 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 466154547 TUOIEYCBLSFCSL-UHFFFAOYSA-N 440.425 5.106 30 20 IKED O=C(CCCc1ccc(O)c(F)c1)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 469655871 LVAHNKMVVPPOTA-INIZCTEOSA-N 437.355 5.683 30 20 IKED N#CCc1cccc(C(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1 470591687 SWKJUUVKCXKXHZ-SFHVURJKSA-N 442.359 5.004 30 20 IKED C[C@H]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)[C@H]1c1cccc(F)c1 472704698 ZIOLMZWKBZSBLX-AFMDSPMNSA-N 443.522 6.086 30 20 IKED N#Cc1ccc(SCC(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)cc1 472948308 GKCUKYXYYZZARC-UHFFFAOYSA-N 435.376 5.165 30 20 IKED CC(=O)N(c1nc(COc2cc(Cl)ccc2C#N)cs1)c1c(C)cc(C)cc1C 474408729 LIBNQKSTOXMHFE-UHFFFAOYSA-N 425.941 5.857 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 474424076 CCKWHCYJRMOKAQ-OAHLLOKOSA-N 431.970 5.754 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)cc1 475648794 VCVDSFVTPHQACV-FQEVSTJZSA-N 440.547 5.446 30 20 IKED C=C(C)[C@@H](NC(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1)c1ccc(F)c(F)c1 480599768 FTCTZJJVWMBZRL-IPBJYNAHSA-N 440.515 5.712 30 20 IKED O=C(N[C@H]1C[C@@H]1C(F)F)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 481438122 IBNSTMAIDZLIJO-GUBZILKMSA-N 444.244 5.280 30 20 IKED C=C(C)[C@@H](NCc1csc(N(C(C)=O)c2cccc(Cl)c2)n1)c1ccc(F)c(F)c1 481600765 RIQXLRJPNBPINN-OAQYLSRUSA-N 447.938 6.166 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)c2)cc1 482365854 MZKPTKKVMUXRCE-QFIPXVFZSA-N 425.513 5.938 30 20 IKED CCc1nc(C(=O)[C@@H](C#N)c2nccc3ccccc23)nn1-c1c(Cl)cccc1Cl 483237557 ZJEPNSBVRUYGJC-HNNXBMFYSA-N 436.302 5.175 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ncccc3OCC(F)F)cc2Cl)c1 484329156 AGYULBRVFYELJO-UHFFFAOYSA-N 443.837 5.082 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)o2)cc1 489753616 ALBOUPQPRKTRDU-UHFFFAOYSA-N 435.427 5.051 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)N3CCC[C@@H]3c3cccs3)o2)cc1 489799117 CECZUQNVGUXOQL-MAUKXSAKSA-N 441.578 5.207 30 20 IKED CN(C)c1cc(C#N)cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 496094402 RNBPWNMJAQZIJJ-QGZVFWFLSA-N 441.343 5.545 30 20 IKED CCN(C(=O)CCCC(=O)c1ccc(Br)cc1)[C@@H](C)c1ccc(C#N)cc1 498882409 AMDOIRMTEKXQNR-INIZCTEOSA-N 427.342 5.283 30 20 IKED CCN(C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1)[C@H](C)c1ccc(C#N)cc1 500134228 DTOHIIYMEKPBSU-YKSBVNFPSA-N 439.559 5.173 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3ccc4nc(Cc5ccccc5)oc4c3)CC2)cc1 502659145 WBLDZWIUEYLIHD-UHFFFAOYSA-N 434.499 5.611 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N(Cc3ccc(F)cc3F)C3CC3)c2)cc1 503291756 PGHNCZRSLSEIQU-UHFFFAOYSA-N 447.485 5.806 30 20 IKED N#C[C@@H](NC(=O)CCCc1ccc(Br)s1)c1cccc(C(F)(F)F)c1 505953910 KIIXCZVTJLBXJY-CQSZACIVSA-N 431.277 5.233 30 20 IKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 507876026 WLGKRLGYGLQPON-GOSISDBHSA-N 445.544 5.358 30 20 IKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(CSc2ccccc2)cc1 508953311 UXHDXMIWHOFAHM-UHFFFAOYSA-N 429.589 5.055 30 20 IKED Cc1ccc(-n2nc(C)c(CC(=O)Nc3cc(C#N)ccc3OC(C)C)c2C)cc1Cl 509588987 REVWXBVBIHUQSL-UHFFFAOYSA-N 436.943 5.291 30 20 IKED CCN(C(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(C#N)cc1 510390391 RTCJLCJZSJGJDD-HNNXBMFYSA-N 425.941 5.541 30 20 IKED COc1c(F)cc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1F 513873313 WEQHBYNRARPECS-UHFFFAOYSA-N 425.410 5.218 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1 517528941 AYKAZEOCSZLGIK-GJZGRUSLSA-N 437.487 5.905 30 20 IKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1 518158494 BKCRWCKPXUVCES-FOIQADDNSA-N 429.973 5.044 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(Br)cc1Cl 520941382 LUKWTXTYXMAUHG-LBPRGKRZSA-N 438.778 5.818 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)CCc3nc4cc(Cl)ccc4s3)s2)cc1 521927167 BJBQPPAFPBYBPC-UHFFFAOYSA-N 438.965 5.440 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3ccco3)nc2O)cc1Cl 524707732 AJHLXSXCANGLNP-LJQANCHMSA-N 429.863 5.608 30 20 IKED CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 524983221 QRYADZGSAYRSPN-UHFFFAOYSA-N 427.504 5.217 30 20 IKED COc1cc(CN2CCC(C(=O)c3ccccc3)CC2)ccc1OCc1cccc(C#N)c1 532893891 VBGIJXUQVTYAGO-UHFFFAOYSA-N 440.543 5.241 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1ccccc1C(F)(F)F)C1CC1 533240769 XLGLSOAIAYIKMY-MRXNPFEDSA-N 447.526 5.703 30 20 IKED N#CC1(CCCSc2nnc(-c3ccccc3F)n2Cc2ccccc2)CCOCC1 538410806 QDOWUGGPICIYSN-UHFFFAOYSA-N 436.556 5.325 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C4CC4)nc4c3c(C)nn4C)n2)cc1 538578370 GZSGLFBGDSDCPZ-SFHVURJKSA-N 427.533 5.076 30 20 IKED Cc1nn(C)c(C)c1[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(F)(F)F 538617351 NRKZZSSFAOERBK-FQEVSTJZSA-N 443.429 5.126 30 20 IKED N#CCC1CCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)CC1 541052719 DLTAMVGJWUQHHW-UHFFFAOYSA-N 438.534 5.122 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NCc1ccc(F)c(C#N)c1 542567683 BCNLVUKUTZEXLR-GFCCVEGCSA-N 430.346 5.743 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CSc1ccccc1[N+](=O)[O-] 543141946 RWQPRNYPWYFFKT-UHFFFAOYSA-N 441.456 5.350 30 20 IKED CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 554443097 PEWFJEPYDXUEMV-UHFFFAOYSA-N 447.514 5.217 30 20 IKED CC(C)Cn1ncc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1C(F)F 557597042 VVUBSBQBOHTGIG-UHFFFAOYSA-N 449.933 5.247 30 20 IKED CC(=O)N(c1nc(COc2cc(Cl)cc(C#N)c2)cs1)c1c(C)cc(C)cc1Cl 558459147 RGYCIBJLFLVAPU-UHFFFAOYSA-N 446.359 6.202 30 20 IKED C=C[C@H](CC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1C(F)(F)F)c1ccccc1 559870503 MJKLEQBNFMSJLM-FOIQADDNSA-N 432.442 5.121 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cc(F)c(C(F)(F)F)cc1F 562171062 HIFHFCWAKNGQAE-LLVKDONJSA-N 429.414 5.700 30 20 IKED C[C@H]1c2nnc(C3CCCC3)n2CCN1CCC(C#N)(c1ccccc1)c1ccccc1 574423366 CYSGWCYNJNGHAC-NRFANRHFSA-N 425.580 5.212 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)c1ccc(C(F)F)cc1 576781706 BYRCGABFXVEZFA-UHFFFAOYSA-N 428.460 5.184 30 20 IKED CC[C@@H](C)n1ncc2c(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)cc(C)nc21 577924512 ZAZVDUMLAVYAST-MRXNPFEDSA-N 426.480 5.022 30 20 IKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)N(C)CCOCc1ccc(C#N)cc1 582204539 AMKYWZZOZISUTP-NRFANRHFSA-N 443.547 5.687 30 20 IKED N#CCCCCCC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 588148024 HQYOZCUUTNEFQI-UHFFFAOYSA-N 440.352 5.207 30 20 IKED C=CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 603458719 IIEMSDWQGIPUNH-UHFFFAOYSA-N 434.521 5.151 30 20 IKED CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 603649925 JBWAMESUYAOSER-UHFFFAOYSA-N 430.455 5.288 30 20 IKED CCOc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1OCC 603690746 PHJMMXIHBPOHFK-KRWDZBQOSA-N 446.507 5.426 30 20 IKED COc1ccc([C@@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1 603745926 CSXZSWRFMXMXFO-XMMPIXPASA-N 438.531 5.022 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCOCC(F)(F)F)cc1Cl 603814974 DGFOUUBSZDIATF-QGZVFWFLSA-N 425.838 5.086 30 20 IKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1ccc(COc2ccccc2C#N)o1 603872409 LQLSQIDUHBWBQE-OAHLLOKOSA-N 428.410 5.582 30 20 IKED C[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604464684 IZRUYFSOFLKUGS-MRXNPFEDSA-N 433.895 5.162 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3ccc4c(c3)nc(C(F)(F)F)n4C(C)C)[nH]c12 605362700 PDNPCJKRQHZJPR-CQSZACIVSA-N 425.414 5.311 30 20 IKED CCc1c(C)sc(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)c1C#N 609031701 UIJGKDCAQOPMBI-UHFFFAOYSA-N 437.590 5.766 30 20 IKED COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 609046316 BMINDODSVNITCG-XMMPIXPASA-N 427.504 6.037 30 20 IKED Cc1nc(-c2ccccc2)sc1CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 609060634 GTILJFLIFPSHDW-UHFFFAOYSA-N 429.501 5.092 30 20 IKED C[C@H](c1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1)N1CCOCC1 609182575 BBDHQTLBBQFOKN-LJQANCHMSA-N 443.572 5.355 30 20 IKED CCCN(C(=O)CCCc1nc(-c2ccc(OC)cc2)no1)c1cc(Cl)ccc1C#N 609286212 NSSPDWDOVAXYDP-UHFFFAOYSA-N 438.915 5.036 30 20 IKED C[C@H]1CCCN(c2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2[N+](=O)[O-])C1 609377712 CXWVLZPACSRLMH-DLBZAZTESA-N 438.553 5.335 30 20 IKED CCOc1cc2c(cc1CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)O[C@H](C)C2 609437214 WGYIYBJVQHSYGB-CVEARBPZSA-N 425.554 5.125 30 20 IKED COc1cc(-c2noc(/C=C\c3cn(CCC#N)c4ccccc34)n2)cc(Cl)c1OC 609475109 QTMCIFCNWWEMSH-HJWRWDBZSA-N 434.883 5.446 30 20 IKED CC(C)c1noc2nc(C3CC3)cc(C(=O)NC3CCC(Oc4ccccc4C#N)CC3)c12 609509283 ZGERBPLVCPOXER-UHFFFAOYSA-N 444.535 5.215 30 20 IKED CCCN(C(=O)c1cc2ccccc2n1CC#N)[C@H](c1cccnc1)c1ccc(F)cc1F 609522375 DRGHWOATWPAQEW-RUZDIDTESA-N 444.485 5.480 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N(CCc3ccc(Cl)cc3)CC3CC3)cc2)nc1 609725893 GNDYSUIWGWSIEX-UHFFFAOYSA-N 431.923 5.494 30 20 IKED COc1ccc(Nc2c(C#N)nnc3ccccc23)cc1OCc1ccc2ccccc2n1 610131163 SAIXBSZGSWEFJN-UHFFFAOYSA-N 433.471 5.381 30 20 IKED C=CCN(C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)c1nc(C(=O)OCC)cs1 610225687 YSYUJQKCXOKALH-UHFFFAOYSA-N 446.450 5.237 30 20 IKED N#CCn1c(C(=O)N(CCSc2ccc(F)cc2)c2ccccc2)cc2ccccc21 610237224 FAWHYFXWOIVONI-UHFFFAOYSA-N 429.520 5.743 30 20 IKED Cc1cc(F)cc2c(N3CCN([C@H](C)c4nc5ccccc5s4)CC3)c(C#N)cnc12 610245276 RMBHYKVUFBWLSQ-MRXNPFEDSA-N 431.540 5.047 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN3Cc3ccccn3)cc2Cl)cc1 610423636 ISDPJISFPYATDZ-JOCHJYFZSA-N 432.911 5.002 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)s2)cc1 611052155 BGUAZPCJAVXSPZ-UHFFFAOYSA-N 432.530 5.375 30 20 IKED CC(C)CN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@@H]1CCCc2cccnc21 614137371 DRHVPGHIGDKNFV-HSZRJFAPSA-N 441.535 5.708 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)s2)o1 620304539 KTQMBFAEPNWJMN-LBPRGKRZSA-N 441.484 5.912 30 20 IKED Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 670068320 HXDNEHODGLBXAX-HUUCEWRRSA-N 449.370 5.791 30 20 IKED C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@@H](c2ccco2)C1 670201024 LTFWKBSFTWPFRL-HSZRJFAPSA-N 436.556 5.036 30 20 IKED COc1cc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OCC(F)(F)F 678208395 PCCFOEOVYBDGNC-VXGBXAGGSA-N 439.318 5.199 30 20 IKED Cn1ncc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1-c1ccccc1 678758585 IIHYRAGUMKTCPY-AWEZNQCLSA-N 426.423 5.206 30 20 IKED C#CC[C@@H](OC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)c1ccccn1 727775779 OYSVJTYRKAOODW-HNAYVOBHSA-N 426.925 5.320 30 20 IKED CCOc1ccc(-c2noc(CNc3ccc(OCc4cccc(C#N)c4)c(F)c3)n2)cc1 728201051 BJCHOPKCQCVTQQ-UHFFFAOYSA-N 444.466 5.337 30 20 IKED COc1cc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)ccc1OC(C)C 729571163 QBWWWKUDDDRDQN-UHFFFAOYSA-N 431.492 5.468 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)ccc1F 730687049 LHLPHVKCCZIMOW-SFHVURJKSA-N 447.466 5.287 30 20 IKED N#C[C@@H](C(=O)[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1)c1nc2ccccc2o1 730690439 TYPGITPMFSPLFM-KSFYIVLOSA-N 437.282 6.131 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(OC2CCCC2)cc1 731072696 CIJMTYXHZJFXJL-QGZVFWFLSA-N 438.549 5.055 30 20 IKED N#Cc1ccccc1NC(=S)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 731568578 ANQNLAXCZCKSHG-HSZRJFAPSA-N 426.545 5.344 30 20 IKED N#Cc1cccc(OCCCCC(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)c1 731982997 NDPAUADEEDBMIK-UHFFFAOYSA-N 427.888 5.112 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc3oc4ccccc4c3c2)ccc1OC 733616881 YMGZOVXNLQSSAR-GOSISDBHSA-N 429.476 5.597 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(C(F)(F)F)cc2Cl)ccc1OC 733634971 ZLMOCDMOUREUEW-CQSZACIVSA-N 441.837 5.370 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)c1 733804430 DHIWGKKOUJSQAQ-IFMALSPDSA-N 439.968 5.671 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(COc3ccc(C)nc3)c2)cc1 734080523 UPAQUIZSGGTTIV-RUZDIDTESA-N 441.531 5.273 30 20 IKED C=CC[C@@H](NC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C)c1ccncc1 734235152 XRSNKNHTWVEBGF-HSZRJFAPSA-N 425.536 5.430 30 20 IKED CCOc1cc(/C=C2/Cc3cc(F)ccc3C2=O)ccc1OCc1ccc(C(=O)OC)o1 734307825 SWPSVSLGUCTHPG-YVLHZVERSA-N 436.435 5.005 30 20 IKED C=CC[C@H](NC(=O)N[C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21)c1ccncc1 734669367 UXSRYHMQMWHXND-PZJWPPBQSA-N 434.565 5.208 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(Cl)cc1Cl)[n+]1cc(O)cc(Cl)c1 738011544 FQYIPVMYYNJIGA-UHFFFAOYSA-O 430.764 5.017 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)c1C 739669179 QJGCJSQLAAPWAP-UHFFFAOYSA-N 449.486 5.099 30 20 IKED CCc1ccc([C@H]2CCCCCN2C(=O)NCc2ccc(OC)c(O[C@@H](C#N)CC)c2)o1 740478647 ICKPZVIPRQMSGC-NHCUHLMSSA-N 439.556 5.358 30 20 IKED CC(=NNc1ccc(Cl)c(Cl)c1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741762413 JLKOKWCJQHKGTE-UHFFFAOYSA-N 425.259 5.166 30 20 IKED CC(=O)N(c1nc(/C=C2/CCc3c(O)cccc3C2=O)cs1)c1ccc(F)cc1F 742434722 LXMIWKYIRPMWCB-LCYFTJDESA-N 426.444 5.024 30 20 IKED C=CCn1c(-c2ccc(F)cc2)nn(CN(C)Cc2csc([C@H](C)OCC)n2)c1=S 743373079 JHKNPPRWOSGTAS-HNNXBMFYSA-N 447.605 5.050 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN(CC)[C@H](Cc2ccc(F)cc2)C(C)C)c1=S 743399869 OHXWQBVAIGBYQA-JOCHJYFZSA-N 439.604 5.348 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H](C)c2ccc(Br)s2)cc1 744032520 GIKZSEPWWLNPSL-HEHGZKQESA-N 433.371 5.475 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(CC3CCCCC3)CC2)cc1 744766748 RWCNYPGVXYUIBZ-AREMUKBSSA-N 430.596 5.508 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CC)Cc2ccc(C(F)(F)F)cc2)cc1 746666605 IUFKUNZWHROOSR-UHFFFAOYSA-N 445.485 5.574 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 747789599 LPIDDLLJFDEQSK-KRWDZBQOSA-N 446.347 5.074 30 20 IKED CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)N[C@@H](CCC#N)c3ccccc3)cc2C1 748606903 LVUFMEHBIBBXST-QFIPXVFZSA-N 434.540 5.146 30 20 IKED COc1cc(/C=C\C(=O)c2ccsc2)ccc1OCC(=O)Nc1ccccc1Cl 749105842 YXZHSGARNLGFJR-VURMDHGXSA-N 427.909 5.324 30 20 IKED Fc1ccc(-c2csc3ncnc(NN=Cc4cnc([C@H]5CCCO5)s4)c23)cc1 755589173 ZHVPHQLBJZTFDG-MRXNPFEDSA-N 425.514 5.251 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2C)cs1 756777736 NALJAUXLEGYGQN-FLIBITNWSA-N 441.896 5.594 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(C(=O)Nc2ccccc2)cc1 759205348 IFKLUQSOPQTVGC-HSZRJFAPSA-N 439.515 5.025 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCO2)c1 761783678 VFODHYHTJFYBCQ-QGZVFWFLSA-N 443.347 5.201 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 768174352 IVPABYAAWDODID-QGZVFWFLSA-N 433.726 5.195 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(C(C)C)n(-c2ccccc2)n1 772552818 ZOMHKALUZWMGKS-NRFANRHFSA-N 428.536 5.082 30 20 IKED N#C[C@H](C(=O)c1ccc(-n2cnc3ccccc32)nc1)c1nc2cc(Cl)ccc2s1 775228431 VNHRIFUVJLNJIH-OAHLLOKOSA-N 429.892 5.174 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)nn1-c1ccc(Cl)cc1Cl 776519284 ZTXOODQCGFWVAH-HNNXBMFYSA-N 447.709 5.102 30 20 IKED COc1cccc2[nH]cc(CCNC(=O)c3ccccc3Sc3ccccc3C#N)c12 778490810 XUQLGAGUYFIRPW-UHFFFAOYSA-N 427.529 5.172 30 20 IKED Cc1cc(Br)cc(C)c1NC(=O)CCCOC(=O)c1ccc(C#N)c(Cl)c1 778544186 FTFHMGZFRPGWQF-UHFFFAOYSA-N 449.732 5.167 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cccc(OCC(F)(F)F)c3)n2)cc1 784491641 GBRBRRIDNAONCI-GOSISDBHSA-N 430.451 5.479 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)Nc1cccc(CSC2CCCCC2)c1 784946450 MHMZMTNJRFETRW-QGZVFWFLSA-N 437.565 5.121 30 20 IKED Cn1c(C(=O)[C@H](C#N)c2nccc3ccccc23)ccc1-c1ccc(Br)cc1 792094699 PLLPKNUUEXPHAV-LJQANCHMSA-N 430.305 5.493 30 20 IKED COc1ccc([C@@H]2C[C@H]2NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 793370826 AQJUTRJEMYDGFP-LOSJGSFVSA-N 427.504 5.018 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2sc(SC(F)F)nc2C)cc1 796632947 YMSIIBLUBXRNCE-NHYWBVRUSA-N 437.537 5.170 30 20 IKED CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1O[C@H](C)C#N 797477861 AVBCTBULXNVJDP-CYBMUJFWSA-N 444.318 6.144 30 20 IKED C[C@H](Oc1ccc(Cl)cc1Br)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797570481 HFYRVHLRIIZQAE-CMPLNLGQSA-N 441.778 5.500 30 20 IKED N#CC1(CSc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)CCCC1 806580102 BFZNYJOVEBVIPA-UHFFFAOYSA-N 443.370 5.525 30 20 IKED Cc1ccc(-c2n[nH]cc2C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)cc1 812394367 QSFYJBCGTGPVKN-UHFFFAOYSA-N 425.517 5.014 30 20 IKED Cc1c(C(=O)Nc2ccccc2CN(C)C(=O)OC(C)(C)C)sc2ccc(C#N)cc12 814641619 JYRYBWZKSXSYCB-UHFFFAOYSA-N 435.549 5.701 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)C(C)(C)c2csc(-c3ccccc3F)n2)s1 816067845 BLSWXOOYVNZGNH-CQSZACIVSA-N 427.570 5.857 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCNC(=O)c3ccc4ccccc4c3)n2)cc1 915099859 DHPKGRYPXFSHLW-QFIPXVFZSA-N 439.540 5.268 30 20 IKED COc1ccc([C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2ccccc2)cc1 915353043 PXSWMCFXTFSZEJ-WUFINQPMSA-N 447.538 6.262 30 20 IKED Cn1ccnc1[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1F 915353606 PHJJCMUPWKNOAF-LADGPHEKSA-N 439.494 5.126 30 20 IKED CCOc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cs2)cc1 916918462 MQFAMCLKBWZTIY-HXUWFJFHSA-N 441.512 5.323 30 20 IKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccsc2)C1=O)Nc1ccccc1F 917674373 NVMNNDYUDNXNJE-LJQANCHMSA-N 439.537 5.048 30 20 IKED CC(C)[C@H](C(=O)NC1(c2ccc(NC(=O)C3(C#N)CC3)cc2)CCC1)c1ccc(F)cc1 1787881134 UXJIUWZCXZTBDI-QFIPXVFZSA-N 433.527 5.003 30 20 IKED Cc1c[nH]cc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792123471 CUQOYMICBOIWPD-QGZVFWFLSA-N 426.520 5.012 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)Cc3c(F)cccc3Cl)CC2)C1 1805451370 GZEPVVDHCFUUJQ-UHFFFAOYSA-N 446.994 5.021 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CSc2ccccc2)[nH]n1 1814442698 QXDLIBWHUCOZMM-FQEVSTJZSA-N 440.613 5.187 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2CCC(F)(F)CC2)n[nH]1 1815019983 GHDYUWXFPFUNHX-GOSISDBHSA-N 436.547 5.220 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)[nH]n1 1821919935 BYATUOMXSJFKIV-IFXJQAMLSA-N 439.947 5.063 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(C(C)(C)C)c2)CC1 1828822040 DJQIEJMHHIMFQY-XZOQPEGZSA-N 439.644 5.314 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(OC)c2)CC1 1829068713 MGMBOXFBSMTECC-XMMPIXPASA-N 440.628 5.229 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1831370854 XAQZGXNAAFPNMM-QFQXNSOFSA-N 447.623 5.436 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2C2CC2)CC1 1832557852 JNKLWFSQDOBJSH-ZEQKJWHPSA-N 434.624 5.566 30 20 IKED O=C(/C(=C(/S)Nc1ccc(Cl)c(Cl)c1)[n+]1ccccc1)c1ccc(F)cc1F 11159292 XVFWWOQZVXXUGU-UHFFFAOYSA-O 438.306 5.610 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccc(C)c(C)c3)o2)c1 22255126 MDKKLKARRGQRMO-LJQANCHMSA-N 434.565 5.398 30 20 IKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2cccc(C)c2)c(Cl)c1 22732751 GHHDCLVUCZJUHR-UHFFFAOYSA-O 445.942 5.882 30 20 IKED C=CCN(C(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)c1nc(-c2ccccc2)cs1 23123709 WGPAARHSLVSCRP-UHFFFAOYSA-N 443.576 5.846 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc(C(C)(C)C)cc2)c(C)[nH]1 23603967 ZTVBCFCIYMXQIL-UHFFFAOYSA-O 441.020 5.921 30 20 IKED N#CCc1ccc(NC(=O)CSc2ncnc3cc(-c4ccc(F)cc4)sc23)cc1 26104882 HWEYRQYBXPRQRZ-UHFFFAOYSA-N 434.521 5.294 30 20 IKED C=CCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1nc(-c2ccccc2)cs1 32492592 NRCKNBVCUWEUCB-FQEVSTJZSA-N 449.551 5.021 30 20 IKED C=C(C)COc1cc(/C=C2/CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)ccc1OC 60822122 SGACXHJSUHIKPR-YBEGLDIGSA-N 442.437 5.323 30 20 IKED Cc1ccc(C#N)cc1NC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 63962561 MMLZSHWLGYJTIF-UHFFFAOYSA-N 432.320 5.001 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccccn1 216418113 PISBUUDDLFPYOB-UHFFFAOYSA-N 443.532 5.049 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(N4CCCC4=O)cc3)cc2Cl)c1 303122214 ALHGXZDOYVRINA-UHFFFAOYSA-N 445.906 5.170 30 20 IKED Cn1c(CCNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)nc2cc(F)ccc21 303663501 NKSFLEXMZINJRD-UHFFFAOYSA-N 448.885 5.002 30 20 IKED Cn1c(C(F)F)nc2cc(C(=O)N[C@@H](c3ccc(OC(F)F)cc3)C(F)(F)F)ccc21 409927479 UEUIGXFXCLLJFK-AWEZNQCLSA-N 449.326 5.146 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCOC4(CCCC4)C3)cc2Cl)cc1 426081597 WTARJTSDZRWFNU-SFHVURJKSA-N 425.916 5.617 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 432466311 SJALKZUYUVLLHN-HSZRJFAPSA-N 437.952 5.288 30 20 IKED CCCc1c(NC(=O)N(C)Cc2ccc(F)c(Cl)c2)cnn1-c1cccc(C#N)c1 433121702 SWGVJSJNGJFZEB-UHFFFAOYSA-N 425.895 5.153 30 20 IKED C=CCN(C(=O)c1ccc(S(=O)(=O)CCCC)cc1)c1nc(-c2ccccc2)cs1 433579047 UNORLAKQDKUBLB-UHFFFAOYSA-N 440.590 5.217 30 20 IKED C[C@H]1CCN(c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)ccn2)C1 437554625 GYZBUXSXBMGCKP-AWEZNQCLSA-N 434.487 5.205 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F 437834362 CSGPPNBEVXSHKT-SSOJOUAXSA-N 429.495 6.413 30 20 IKED CCCCN1CCC(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 437960787 FRUOOSNLHKCJEI-UHFFFAOYSA-N 440.975 5.177 30 20 IKED CN1CCC[C@@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)[C@H]1c1cccs1 438058516 MACGPGDVLLYGSY-CYFREDJKSA-N 446.576 5.617 30 20 IKED Cc1ccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1OCC1CCOCC1 438260274 NUPVJOIWNQWDHQ-BJKOFHAPSA-N 433.552 5.104 30 20 IKED COC[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C1 438514966 OKZVTJOSWAGUFW-OAHLLOKOSA-N 433.430 5.260 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)cc1F 438667261 KCYLJTSCFPTXEM-ZEQRLZLVSA-N 431.467 5.531 30 20 IKED N#CCC[C@@H](NC(=O)Nc1ccc(Br)cc1C(F)(F)F)c1ccccc1 439306836 UNRKOXVWDGJUJQ-OAHLLOKOSA-N 426.236 5.634 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O 439352457 FYWBBMHJSLVISX-GFMFPXRISA-N 433.552 5.452 30 20 IKED CN(Cc1ccccc1NC(=O)N[C@H](CCC#N)c1ccccc1)C(=O)c1cccs1 439383175 HHYBTOARHZEKIM-HXUWFJFHSA-N 432.549 5.187 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)Nc3csc4ccccc34)c2)cc1 440515766 FVPQQTUKEAKXHX-UHFFFAOYSA-N 441.512 5.124 30 20 IKED C=CC[C@@H]1N(C(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)CCCC1(C)C 443861870 SDMJOUFUFKDBED-VWLOTQADSA-N 448.607 5.294 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(OC(F)F)cn2)cc1Cl 446141797 ZETOJVIAWRKORB-IBGZPJMESA-N 442.853 5.314 30 20 IKED CN(C)Cc1ccsc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 446969865 RLDWJVYNABSEIN-UHFFFAOYSA-N 425.941 5.166 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 460369703 NACQQOVAVSVJEO-SDHOMARFSA-N 444.579 5.450 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)c1 460979294 LTGIYPKVXXNZPY-UHFFFAOYSA-N 448.482 5.037 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CCCCN1Cc1ccccc1 462040907 RZYSSRPNSQFSDF-XMMPIXPASA-N 426.520 5.047 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)N(C)S(=O)(=O)c3ccc(Cl)cc3C#N)s2)cc1 462335069 SIUWXUIPKWFIDB-HNNXBMFYSA-N 445.997 5.334 30 20 IKED N#Cc1ccc(-c2nnc(CNc3ccc(NC(=O)c4cccc(Cl)c4)c(F)c3)o2)cc1 464085364 CWWRWAGQCQEHRQ-UHFFFAOYSA-N 447.857 5.265 30 20 IKED Cc1cc(N2CCOCC2)ccc1NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 464864725 RVEDNYRJPSMKGJ-UHFFFAOYSA-N 427.504 5.056 30 20 IKED CC[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nc(C(F)(F)F)cs1 465181134 BGYMWFHIKPOZKF-KRWDZBQOSA-N 431.439 5.707 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)c1cccc(C#N)c1 466880591 AWRRBVOQHQUBLU-LBPRGKRZSA-N 426.339 5.244 30 20 IKED CCOc1c(Cl)cc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1Cl 467776685 JYWFMTCCWAHHOP-UHFFFAOYSA-N 447.366 5.004 30 20 IKED C=C[C@@H](CC(=O)N(Cc1cccc(Br)c1)C1CCOCC1)c1ccccc1 468153667 AWJKWJYYMUZADO-IBGZPJMESA-N 428.370 5.317 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)S(=O)(=O)c1cc(C#N)ccc1Cl 476429583 CHDBXPNQMQFJIA-CQSZACIVSA-N 431.970 5.025 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 476807485 QSMXWGUGJDRCKW-UHFFFAOYSA-N 446.620 5.787 30 20 IKED N#Cc1ccc(-c2nnc(CNC3(c4cccc(Br)c4)CCCCC3)o2)cc1 477663100 NZIQRVGPANHCHB-UHFFFAOYSA-N 437.341 5.320 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(CCN2CCCC[C@@H]2C)CC1 478792219 ZYSIZOVOUWHHIA-PMACEKPBSA-N 428.646 5.447 30 20 IKED Cc1oc2ccc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc2c1C 478981732 MFACLTFKYZPQDY-UHFFFAOYSA-N 430.464 5.024 30 20 IKED Cn1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1NC(=O)c1ccc(C(C)(C)C#N)cc1 480089607 JLKIJDUEHWYZBF-UHFFFAOYSA-N 446.860 5.813 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@H](CC)c2ccc(Cl)cc2)nnc1-c1ccco1 480439577 OZFCUKOIIIZDFS-QGZVFWFLSA-N 430.961 5.127 30 20 IKED N#C[C@@H](C(=O)c1cccnc1OCc1ccccc1F)c1nc2ccccc2n1C(F)F 482574604 IZEALKPVZIATKQ-INIZCTEOSA-N 436.393 5.035 30 20 IKED CC(C)n1cc2c(n1)C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)CC2 483054127 QSVCQLJTCREAMU-UNMCSNQZSA-N 447.970 5.452 30 20 IKED C=CCC[C@H](C(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1ccccc1 487471770 PYDRRINWULRPQV-VWLOTQADSA-N 429.564 5.172 30 20 IKED C=CC[C@@H](C(=O)Nc1nc(-c2ccc(CCCNC(C)=O)cc2)cs1)c1ccccc1 487788591 WMUQUDAPHJFJAF-JOCHJYFZSA-N 433.577 5.177 30 20 IKED C=C(C)Cn1c(S[C@@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)nnc1-c1ccncc1 489385767 FQPRAGBIDQRBEY-ROUUACIJSA-N 435.597 5.549 30 20 IKED CCn1c(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)nc2cc(C#N)ccc21 490769645 PCGSVWUHQBGONK-UHFFFAOYSA-N 449.923 5.147 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(OC(F)(F)F)c2)cc1C 494582660 DMNXEVIYWZPNFV-UHFFFAOYSA-N 428.414 5.232 30 20 IKED C[C@@H](Oc1ccc(F)cc1Br)C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 498471850 QWWLWVOSBHVVLQ-RFAUZJTJSA-N 446.103 5.043 30 20 IKED C[C@@H](NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1ccccc1C(F)(F)F 500950364 BMVZKTJMRVPDEV-LLVKDONJSA-N 445.338 5.540 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CSc2ccc(Br)cc21 503532014 HLBIHCPWCIRHSA-SFHVURJKSA-N 449.418 5.161 30 20 IKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 508223617 YVQZTYPFZOZOMM-UHFFFAOYSA-N 425.432 5.064 30 20 IKED C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCC(OC2CCCCC2)CC1 508850682 VVYITGXTLLUHCQ-UHFFFAOYSA-N 426.630 5.383 30 20 IKED C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(OC2CCCC2)CC1 508863770 LEMRUOMMPFYMSX-KRWDZBQOSA-N 430.980 5.186 30 20 IKED Cc1sc2ncnc(SCCC(=O)Nc3cccc(OCCCC#N)c3)c2c1C 509490746 ANMBTMGIHDIAKL-UHFFFAOYSA-N 426.567 5.112 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1 510673874 FTGAYMYGKAUQKV-UHFFFAOYSA-N 425.488 5.477 30 20 IKED C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@@H]1CCCN(C2CCC2)C1 511246412 CPCJSRSYLODPNP-NFBKMPQASA-N 446.595 5.106 30 20 IKED N#Cc1cnc(C(=O)NC2(c3noc(C4CCCCC4)n3)CCCCCC2)c(Cl)c1 512708250 OFMVVTRZLGSJRF-UHFFFAOYSA-N 427.936 5.017 30 20 IKED CCCc1sc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1CC 513656147 YIXHESLEPRRCBQ-AWEZNQCLSA-N 425.579 5.342 30 20 IKED Cc1cc(Br)cc(C)c1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 517121401 BEYMCQLSCTYAJD-UHFFFAOYSA-N 428.330 5.013 30 20 IKED CCCN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@H](C)C(=O)Nc1ccccc1 517338988 MUZAVKHYVDHPCJ-GOSISDBHSA-N 445.494 5.369 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 517506146 CLMJCLQQYCBUHZ-SFHVURJKSA-N 446.576 5.023 30 20 IKED COc1cc(-c2noc(-c3ccc(COc4ccccc4C#N)o3)n2)cc(Cl)c1OC 517627954 ZFVGSIUNEHGOEG-UHFFFAOYSA-N 437.839 5.118 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(OC)c1 517653719 CXNMTWCSAMWVLZ-RUZDIDTESA-N 442.515 5.539 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(Cc4ccccc4Cl)c3)n2)cc1 518516736 VMQMLKZZNHPIFL-IBGZPJMESA-N 443.919 5.070 30 20 IKED COCCOc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1OC 518803617 POHLDWACOONHHO-UHFFFAOYSA-N 448.544 5.137 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 519978484 KECDCPPOZUNPAG-UHFFFAOYSA-N 443.547 5.012 30 20 IKED CCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1OC 520427438 JDBVFXJGWHCSIF-GFCCVEGCSA-N 448.878 5.639 30 20 IKED COc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1OCc1ccncc1 521198487 PBNHJTTYKCOAFE-UHFFFAOYSA-N 444.535 5.231 30 20 IKED CC(=O)c1ccc(Cl)c(Cl)c1OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 521720654 VOSYGUJFPSCPMG-LBPRGKRZSA-N 437.348 5.465 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)cc1 522605529 HGFDQXAZENRDHR-NFBKMPQASA-N 435.449 5.243 30 20 IKED O=C(NCCCc1cccc(C(F)(F)F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 522676695 MJSLFZLODOPQRH-UHFFFAOYSA-N 436.318 5.164 30 20 IKED C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 524129136 GNDLJBKZNNGDJT-GOSISDBHSA-N 429.495 5.622 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1 524439915 PCLAKZBMRWOYMJ-VWLOTQADSA-N 429.495 5.954 30 20 IKED CCOCCOc1ccc(Cl)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 524458447 YOTQHGPHBQBXOM-UHFFFAOYSA-N 440.883 5.051 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cccc(Oc2ccnc3ccccc23)c1 524510105 CRBIPKKOOJGLOW-UHFFFAOYSA-N 438.487 5.188 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 525563830 OLUKFSLIHYMGLV-MRXNPFEDSA-N 434.565 5.972 30 20 IKED CC[C@H](C)n1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1C1CC1 535530372 WOQDIJSUULERIH-INIZCTEOSA-N 430.508 5.656 30 20 IKED O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 537688731 VFZCDOJPOPDHBA-RKDXNWHRSA-N 429.311 5.524 30 20 IKED C[C@@H](NC(=O)N(C)Cc1nc2ccccc2s1)c1ccc(-c2cccc(C#N)c2)cc1 541155764 DJBIYJYORSMVIA-QGZVFWFLSA-N 426.545 5.738 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCCCc1nc(-c2ccc(F)cc2)no1 542376195 MGJLSSZBIZEXPY-OAHLLOKOSA-N 439.516 5.024 30 20 IKED Cc1ccc(-c2ccc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)s2)o1 543805350 GHNYJKMIKIEPOK-CYBMUJFWSA-N 435.530 5.396 30 20 IKED C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@H](COCC)C1 549302212 AGLLLZUSVFGYCB-IBGZPJMESA-N 437.613 5.206 30 20 IKED Cc1c(NC(=O)c2cccc(C(F)(F)F)c2F)nnn1Cc1ccc(C(F)(F)F)cc1 558904764 ASPZWWVONFBACM-UHFFFAOYSA-N 446.326 5.064 30 20 IKED O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NCc1cc(F)c(C(F)(F)F)cc1F 561701901 IQERMPHYZIRLJH-UHFFFAOYSA-N 446.322 5.166 30 20 IKED COc1cc(CN[C@@H](C)c2ccc(OC)c(OC)c2C)ccc1OCc1cccc(C#N)c1 561926221 OSHVAWMJLFJSQO-IBGZPJMESA-N 446.547 5.322 30 20 IKED CC[C@@H]1c2ccsc2CCN1C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 578812514 HFGMZKHBQHAXOV-LJQANCHMSA-N 428.001 5.416 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cnn1-c1ccccn1 604027220 ONGHRCBSRXXGRW-UHFFFAOYSA-N 429.867 5.145 30 20 IKED COc1ccc(C)cc1NC(=O)[C@H](Nc1cccc(OCCCC#N)c1)c1ccccc1 604044527 UKOSCAACPYUOQR-RUZDIDTESA-N 429.520 5.478 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3csc(-c4ccc(Cl)c(Cl)c4)n3)[nH]c12 605363407 XZAMYWDLWVERQT-GFCCVEGCSA-N 427.316 5.792 30 20 IKED COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)N[C@H](C#N)CC(C)C)s1 608821590 AXLUOZBAMIGXEI-SFHVURJKSA-N 434.565 5.159 30 20 IKED COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C 608916491 IEEWTXFPWZBFAH-UHFFFAOYSA-N 448.567 5.026 30 20 IKED C=CCOc1cccc(NC(=O)C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)c1 608923979 SERBVGRARFMCSY-IBGZPJMESA-N 434.458 5.112 30 20 IKED CCCC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609054146 WFGIMRDPGYFSDL-RZFNWQHOSA-N 437.971 5.409 30 20 IKED CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 609439752 NJTPWZLARJCCIH-SJORKVTESA-N 441.622 5.397 30 20 IKED N#Cc1ccc(N2CC[C@H](Nc3ccc(Oc4ncc(Cl)cc4Cl)cc3)C2=O)cc1 609633585 WGWOGLZYWXGAJN-FQEVSTJZSA-N 439.302 5.270 30 20 IKED CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccccc1Sc1ccccc1C#N 609865705 AXNCBKLZNTZBKQ-WAIKUNEKSA-N 436.964 5.869 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccccc3NC(=O)c3cccs3)c2)cc1 609988482 ARCCLUUMDZJBOO-UHFFFAOYSA-N 438.512 5.868 30 20 IKED CCCOc1c(Cl)cc(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)cc1OC 610053692 QXLHVDDQCXWODW-UHFFFAOYSA-N 438.915 5.064 30 20 IKED N#Cc1ccc(F)cc1CN1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 610728697 FGNPPTPFVSPRFE-VWLOTQADSA-N 434.559 5.386 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 615969577 FDWFWUUKCOAAEZ-UHFFFAOYSA-N 430.932 5.272 30 20 IKED CCc1c(NC(=O)c2cc3ccccc3n2CC#N)cnn1-c1ccc(C(F)(F)F)cc1 616564095 UPZXESGBTRCQKY-UHFFFAOYSA-N 437.425 5.184 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2ccc(F)cc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 642282122 MUCGKVZKGAXARA-CQSZACIVSA-N 430.386 5.130 30 20 IKED N#C[C@H](C(=O)c1cc2cc(Br)ccc2o1)c1nc2ccccc2n1C(F)F 642282496 XGHCQDSIHPLIPU-GFCCVEGCSA-N 430.208 5.430 30 20 IKED C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 669806864 HYRXDEPOYYFUHS-IBGZPJMESA-N 436.519 5.205 30 20 IKED O=C(Nc1ccc(OC2CCC2)c(F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 674025701 WOZRWCLUKBPDDP-PHIMTYICSA-N 428.348 5.352 30 20 IKED C#Cc1cccc(NC(=S)N(Cc2ccccc2OCC=C)c2ccc3c(c2)OCO3)c1 726443104 FNOSYLLWZGJNKJ-UHFFFAOYSA-N 442.540 5.365 30 20 IKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=S)Nc1ccc(C#N)c(Cl)c1 726458786 HNWIKBRCWPRYGO-UHFFFAOYSA-N 446.363 5.524 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)ccc2OC)[n+]2ccccc2CC)c1 726572826 HEUKQQKUOAUPMR-UHFFFAOYSA-O 429.565 5.158 30 20 IKED N#C[C@H](C(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1nc(-c2c(F)cccc2F)cs1 728769245 ROVIZJSQTBWYMH-KGLIPLIRSA-N 436.405 6.001 30 20 IKED Cc1ccc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1C 730421843 QUBOOKHNEYOHJZ-KRWDZBQOSA-N 436.537 5.207 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 730899034 OJELQNSZLQWTBQ-HXUWFJFHSA-N 441.409 5.224 30 20 IKED N#CCOc1ccc(CSC2=N/C(=C\c3ccccc3)C(=O)N2c2ccc(F)cc2)cc1 731155903 AVWYHAHTSDKQRH-KQWNVCNZSA-N 443.503 5.405 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)CCCCOc2cccc(C#N)c2)c1 731970697 DJMUWEXFIZKDOC-UHFFFAOYSA-N 427.476 5.232 30 20 IKED C[C@H](Oc1ccccc1Br)C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 732901129 JSPWJHKUJPBVGG-DZGCQCFKSA-N 427.323 5.216 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccc(N2CCCCC2)cc1 733079450 BVAQPYVEEDLRDT-UHFFFAOYSA-N 440.473 5.384 30 20 IKED CCC(=O)N1CCCC[C@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 733680261 XYPMUIQEVGNFOT-PBHICJAKSA-N 436.364 5.084 30 20 IKED CC[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Cl)s1 734075154 ZTNUJLWVLOJIRS-RTBURBONSA-N 437.952 5.263 30 20 IKED C=CCn1c(SCC(=O)Oc2ccccc2SCC)nnc1-c1ccc(Cl)cc1 734790460 AGYUDRLZHYNLPI-UHFFFAOYSA-N 445.997 5.594 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)cc1 734929368 NEXSQUGDQJPREO-RPWUZVMVSA-N 447.991 6.317 30 20 IKED Cn1c(CC(=NOCc2cc(Cl)ccc2OCC#N)c2ccccc2)nc2ccccc21 735303087 KCDFUHKZDKOYEP-UHFFFAOYSA-N 444.922 5.293 30 20 IKED COc1ccc(C[C@@H](NCc2cc(Cl)ccc2OCC#N)c2ccc(OC)cc2)cc1 735306747 SFGPWVPQJVIWRH-XMMPIXPASA-N 436.939 5.333 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)sc2C)[n+]2cccc(O)c2Cl)c1 735667164 PPERZMAEKWUJLQ-UHFFFAOYSA-O 441.985 5.316 30 20 IKED CCOc1cc(/C=C\C(=O)c2c(Cl)nc3sccn23)cc(Br)c1OC 741842921 DDQNVLXDSWQODF-PLNGDYQASA-N 441.734 5.115 30 20 IKED COCc1cccc(/C=C(/C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)c1 742432129 SWAKRJDTIFPFOP-PXLXIMEGSA-N 433.935 6.008 30 20 IKED Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc1NC(=O)OC(C)(C)C 742521733 OONQKZBMCBQXMH-SFHVURJKSA-N 444.329 5.099 30 20 IKED Cn1cc(-c2cccc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2)cn1 744038367 RMTNXPVGBFKCRB-INIZCTEOSA-N 426.423 5.206 30 20 IKED CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 744767022 WMYAMZVGMFIDMV-HSZRJFAPSA-N 448.517 5.216 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 745947610 GURHEUNZGGSNBF-GOSISDBHSA-N 425.271 5.747 30 20 IKED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)Cc3csc(-c4ccc(Cl)cc4Cl)n3)nc12 750721159 BCAHLRSWTJVDQZ-AWEZNQCLSA-N 442.331 5.116 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 755284281 GBXPZXPQLPTCOG-GOTSBHOMSA-N 448.567 5.057 30 20 IKED C[C@@H](OC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1nc(O)c2ccccc2n1 761487365 ISWBOKVIDFDDFA-CQSZACIVSA-N 445.862 5.571 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)Nc3cccc(CSCc4ccccc4)c3)CCO2)c1 761858964 BWASQNMQZOFPDP-RUZDIDTESA-N 443.572 5.597 30 20 IKED Cc1cc(/C=C2/CC(O)(C(F)(F)F)C/C(=C\c3cc(C)c(O)c(C)c3)C2=O)cc(C)c1O 764432758 MOAJQPNYXSLLQQ-KFSYKRRRSA-N 446.465 5.455 30 20 IKED Cc1cccc(-c2nc(CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cs2)c1 764751786 FXZHMFDQTHAMDF-UHFFFAOYSA-N 447.347 5.375 30 20 IKED COc1cccc([C@H](C#N)NC(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)c1OC 768157179 UAXUYLRYOPJHLK-FQEVSTJZSA-N 439.471 5.020 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/CCc3c(C)ccc(C)c3C2=O)cs1 769746842 ROLICQFTJFUVMM-ATVHPVEESA-N 436.964 6.310 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 775724370 ZEOMTMMHNGPENP-CWTRNNRKSA-N 432.293 5.152 30 20 IKED CN(C(=O)NCc1ccc(OCC#N)cc1)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 776619825 XUZDMNFKTMKAGA-SFTDATJTSA-N 431.458 5.085 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)s2)cc1 777116016 CUOQRHUMYJTGJT-INIZCTEOSA-N 448.592 5.133 30 20 IKED C[C@@H](NC(=O)N[C@@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21)c1cccc(C#N)c1 777569394 FUSCSKAQVMSDNW-OPAMFIHVSA-N 434.540 5.343 30 20 IKED Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)[C@@H](O)c1ccc(C#N)cc1 780949951 HWBMIEGNKXGSOT-DEOSSOPVSA-N 442.494 5.276 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)NCc2cccc(Cl)c2)sc1-c1ccc(F)cc1 786540287 SHSVAHHXHSYNSO-GOSISDBHSA-N 426.900 5.155 30 20 IKED CC(C)(C)OC(=O)NCc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c1 786935704 PUEWMOHLASBEFF-IBGZPJMESA-N 433.533 5.325 30 20 IKED CC(C)Cc1cccc([C@H](C)C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1 796753930 OVNNDSXIILSULV-HNAYVOBHSA-N 433.577 5.454 30 20 IKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 802042406 QQWXUBSKUHNJKO-HUUCEWRRSA-N 433.188 5.370 30 20 IKED Cc1ccccc1[C@H](O)C1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 804518826 HOKOCGKQQWJZSP-AREMUKBSSA-N 426.516 5.245 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1sc2cc(F)ccc2c1C 805854519 WTRIHPSSRDLBTF-AWEZNQCLSA-N 430.888 5.280 30 20 IKED C/C(C=Nn1cnc2ccc(Br)cc2c1=O)=C\c1cccc(C(F)(F)F)c1 807960871 RXTPDDPTCSUHLQ-GOVQZOHKSA-N 436.231 5.115 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)C[C@H](C)c2ccc(F)c(Br)c2)c1 812510062 VWYFXSQHTGMZAD-WMLDXEAASA-N 433.321 5.079 30 20 IKED N#C[C@@H](C(=O)Cc1csc2ccc(Br)cc12)c1cc(C(F)(F)F)ccn1 813217452 GOXBVYIPRDMUTK-CQSZACIVSA-N 439.256 5.497 30 20 IKED C=CCn1c(S/C=C/c2ccc([N+](=O)[O-])o2)nnc1-c1ccc(Br)cc1 825255757 OKXVLNITAFLYCL-PKNBQFBNSA-N 433.287 5.158 30 20 IKED CC(C)n1c2ccccc2n2c(SCC(=O)c3cn(CCC#N)c4ccccc34)nnc12 847207875 DLJODZSAKSEDRP-UHFFFAOYSA-N 442.548 5.108 30 20 IKED FC(F)(F)c1nc(NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ccccc2n1 914785955 IGJPCSVIHUFKDL-RKDXNWHRSA-N 431.302 5.970 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(S)n3-c3ccc(F)cc3)n2)cc1 915099999 JSSKDVVIZQIABO-QGZVFWFLSA-N 434.521 5.222 30 20 IKED COc1ccc2c(ccn2CC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 917044357 SJTOQZQBIXVXKY-HNNXBMFYSA-N 429.423 5.155 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(C3SCCS3)cc2)cc1 917803557 GVLLXXLIVZAENU-UHFFFAOYSA-N 446.597 6.063 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C 918614311 BTQWDBVSTILPML-CYBMUJFWSA-N 449.429 5.330 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1oc2ccccc2c1CSc1nc(C)cs1 920016530 DKDZJDOZWYXJTK-UHFFFAOYSA-N 449.557 6.013 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3cc(C)ccc3C(C)C)n2)cc1 920138254 BWDHCKDOTYOZNI-LAUBAEHRSA-N 434.561 5.894 30 20 IKED COc1cc(C)cc2c1OC/C(=C/c1csc(N(C(C)=O)c3ccc(C)cc3)n1)C2=O 920388772 FMFNEXWEJVAQMR-BOPFTXTBSA-N 434.517 5.112 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccc4nc[nH]c34)cc2)CCC1 1788431939 LHYOFHCYAAGEGH-UHFFFAOYSA-N 430.552 5.303 30 20 IKED Cc1ccc(S/C=C/C(=O)Nc2ccc(C3(NC(=O)[C@H](C)S)CCC3)cc2)cc1 1789489044 HIHQUEATLQVDCM-VMEIHUARSA-N 426.607 5.053 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc4cc[nH]c4cc3F)cc2)CCC1)C(F)(F)F 1790071786 QRBYZECKGSBPKM-UHFFFAOYSA-N 445.416 5.173 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cccc(C)c4[nH]3)CCC2)cc1 1790567193 JANYUGPZDGLRGQ-SFHVURJKSA-N 446.551 5.025 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C(F)(F)c3ccco3)cc2)CCC1 1791079196 CXDNEQGJPRBQJU-IBGZPJMESA-N 428.479 5.274 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(-c4cnco4)c3)CCC2)cc1 1791254490 QVBKYEKPVAMQEN-SFHVURJKSA-N 429.520 5.302 30 20 IKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)cn1C 1792124006 XSPMYXJNRTWSEO-GOSISDBHSA-N 440.547 5.022 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1cccc(C)c1 1796474347 CTBBAFVPWBALIT-KIHHCIJBSA-N 443.591 5.077 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](CC)c2ccccc2)[C@@H]1c1cccnc1 1802497502 PJEASVZUILVKBQ-ISJGIBHGSA-N 447.623 5.274 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2c(C)cc(C)cc2C)[C@@H]1c1cccnc1 1813783265 GQKUAAMKBOIBBS-AHWVRZQESA-N 445.607 5.095 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ccncc23)[nH]n1 1814443935 JSJPHHFBYOCZQH-QFIPXVFZSA-N 445.567 5.256 30 20 IKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)s1 1823212073 SDVMKYYXKVFVSI-FOIQADDNSA-N 447.564 5.026 30 20 IKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)o2)CC1)c1ccccc1 1829031247 WIHPDTJNMKWREZ-JWQCQUIFSA-N 446.591 5.019 30 20 IKED CC(C)=CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1830258108 AJCPNQHSJHMWEL-SQJMNOBHSA-N 435.612 5.293 30 20 IKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C34CCC(CC3)CC4)CC2)c1 1830770963 NZIIMIRYKMFXQK-FJOOJYTASA-N 447.623 5.070 30 20 IKED Cc1ccc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)C4(C#N)CCC4)CC3)sc2c1 1830980228 PKKGSPFBEUXZRE-OAQYLSRUSA-N 449.620 5.137 30 20 IKED CCC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)CCC1 1832632699 UPIZNRRJSGNIJG-YKSBVNFPSA-N 435.612 5.127 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1 9449038 DINPVJLMZOYRLR-CQSZACIVSA-N 432.471 5.269 30 20 IKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(O)c2)c1 22729635 GWYVLWNJWJKUSG-UHFFFAOYSA-O 446.379 5.654 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2ccccc2CC)cc1 22732067 LXKIBSFMNUUGOK-UHFFFAOYSA-O 448.568 5.366 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCc1cc(Br)ccc1OC 30969525 KAOKWBOIWCIULQ-UHFFFAOYSA-N 430.371 5.118 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl 32788560 QYGSKAOYLSZKCL-AWEZNQCLSA-N 447.391 5.481 30 20 IKED CC(C)c1ccc(CSc2nnc(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)s2)cc1 36253093 VOFJDBNAJDYNQI-BTYIYWSLSA-N 448.683 5.489 30 20 IKED COc1cc(/C=C/C(=O)c2cccc(C#N)c2)ccc1OCC(=O)Nc1ccccc1Cl 59270165 OOTZTXXMXSKXPH-PKNBQFBNSA-N 446.890 5.134 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1 63788097 QKONUVPTYRWFLZ-LJQANCHMSA-N 447.510 5.409 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCc1nc(-c2cccc(Cl)c2)no1 217201528 MBVSERLRIWRFQW-AWEZNQCLSA-N 441.944 5.148 30 20 IKED N#CCCn1cc(CNCc2ccc(-c3nc4ccccc4s3)o2)c(-c2ccccc2)n1 237833656 KXLSBUKKOSFAQN-UHFFFAOYSA-N 439.544 5.623 30 20 IKED CN(C)[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1cccc(F)c1 255952821 YRIYMVRRSSQTAJ-QHCPKHFHSA-N 433.552 5.022 30 20 IKED C[C@@H](CSc1ccccc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 261465395 RIPHTVDGJABHIX-AWEZNQCLSA-N 426.592 5.069 30 20 IKED N#Cc1ccc(Sc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)c([N+](=O)[O-])c1 301702956 HBSKFPSWGKENDQ-UHFFFAOYSA-N 437.868 5.171 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCSc2ccccc21 303162926 HYWJAACVEUSDPF-HSZRJFAPSA-N 429.545 5.804 30 20 IKED N/C(=N/Cc1cccc(COC2CCOCC2)c1)Nc1cccc(Oc2ccccc2)c1 304761788 UWDANLQDBUCQTJ-UHFFFAOYSA-N 431.536 5.101 30 20 IKED CCOc1c(Br)cc(Br)cc1CNc1cccc(OCC#N)c1 319856435 OAQMPPTYOYSAPC-UHFFFAOYSA-N 440.135 5.125 30 20 IKED N#CCCSc1ccccc1NC(=O)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 409675241 IYFJLCLUAUSWGO-LAUBAEHRSA-N 427.367 5.297 30 20 IKED COc1cccc(Oc2ccc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)cc2)c1 428271030 XIUGATSCCFGLSE-UHFFFAOYSA-N 438.487 5.517 30 20 IKED N#CCCn1ncc(C(=O)Nc2cc(Cl)ccc2Br)c1-c1ccccc1 428494411 ACRZGLFJDXTJIH-UHFFFAOYSA-N 429.705 5.132 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])cc2)cc1 429833246 XYCIAZDDYKFQBY-UHFFFAOYSA-N 438.237 5.274 30 20 IKED COCCn1nc(C)c(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1C 431405513 ZKLFIKKTQFZBKR-UHFFFAOYSA-N 439.903 5.108 30 20 IKED N#C[C@H](C(=O)c1ccc2c(ccn2Cc2ccccc2)c1)c1nc2ccccc2n1C(F)F 433116251 QYCLXCXWNHCHRC-HXUWFJFHSA-N 440.453 5.924 30 20 IKED Cn1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(C(F)(F)F)n1 439302937 COWLTHOILIHBJS-UHFFFAOYSA-N 449.820 5.078 30 20 IKED CCCc1c(NC(=O)N[C@@H](c2ccccc2)c2ccccn2)cnn1-c1cccc(C#N)c1 439667857 ZQBQUSKRAAKPKL-VWLOTQADSA-N 436.519 5.003 30 20 IKED Cc1cncc(N(Cc2ccccc2Br)C(=O)CCc2ccc(C#N)cc2)c1 441423621 NABGKOOWZWXEIB-UHFFFAOYSA-N 434.337 5.190 30 20 IKED C[C@@H](O)CN(C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H](C)Cc1ccc(Cl)cc1 441639706 XJYDPANRMZVPHB-KZNAEPCWSA-N 446.016 5.438 30 20 IKED N#Cc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1C(F)(F)F 443892692 ZENKFVHVHTWJIF-UHFFFAOYSA-N 442.294 5.173 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444019288 JFHGRBXUMMDEAF-QGZVFWFLSA-N 429.364 5.412 30 20 IKED CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 460576321 NMFBDIZRHZYNBJ-HXUWFJFHSA-N 428.565 5.424 30 20 IKED COc1ccc([C@@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)cc1 461509956 DHHXAPADFDQMJJ-QHCPKHFHSA-N 441.560 5.277 30 20 IKED C[C@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F)c1cccc(C#N)c1 462395815 VRWQHTOMDNTYPT-YWZLYKJASA-N 437.893 5.057 30 20 IKED O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1c(F)cc(C(F)(F)F)cc1F 463355748 UIUOILHKDCSNAN-UHFFFAOYSA-N 435.274 5.440 30 20 IKED C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 463757812 WRICUQBPGOXTOQ-SSEXGKCCSA-N 427.566 5.094 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@H](c3cccc(C(F)(F)F)c3)C3CC3)ccc21 469275847 RUMNMMHQURSWNF-QHCPKHFHSA-N 427.470 5.852 30 20 IKED N#CC1(c2ccc(C(=O)Nc3ccc(OC(F)(F)F)c(Br)c3)cc2)CC1 470695041 ULXKAKFWDTXDFT-UHFFFAOYSA-N 425.204 5.155 30 20 IKED Cc1ccccc1-c1nc(CSCC(=O)Nc2ccccc2SC[C@@H](C)C#N)no1 471443291 VZRSPMMCICUREW-HNNXBMFYSA-N 438.578 5.169 30 20 IKED C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NCc1nnc(-c2ccc(C#N)cc2)o1 471620921 UXEVTLUCEAXNAM-HOTGVXAUSA-N 449.942 5.277 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)n1 474436086 USNWAEGBIJLRSH-HNNXBMFYSA-N 426.973 6.028 30 20 IKED COc1cc([C@H](C)NC(=O)C[C@H](CC#N)c2ccccc2)ccc1OCc1ccccc1 474953032 LGNQRNFVPPVTEI-RDPSFJRHSA-N 428.532 5.539 30 20 IKED CN(Cc1ccccc1C(F)(F)F)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 479183260 FZSVSUXHTREMNI-UHFFFAOYSA-N 431.458 5.109 30 20 IKED C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 481098082 CEROTMRZFZQRDU-WCBMZHEXSA-N 444.326 5.412 30 20 IKED Cc1c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cccc1OCC(F)(F)F 484266972 NBCUHMXCXXSEEQ-UHFFFAOYSA-N 426.394 5.852 30 20 IKED CCn1c(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)nc2cc(C#N)ccc21 490743372 DPVZNIIQUOAWSY-UHFFFAOYSA-N 449.518 5.173 30 20 IKED N#C[C@@H](NC(=O)CCCc1ccc(Br)s1)c1c(Cl)cccc1Cl 499863552 QMKUGHWBWQLFLB-CYBMUJFWSA-N 432.170 5.521 30 20 IKED C/C=C\c1ccc(NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 500022444 MVMCYAJHQSUGCS-RQOWECAXSA-N 445.906 5.401 30 20 IKED COc1ccc(CNc2cccc(C(=O)N(C)c3ccccc3)c2)cc1OCCCC#N 501000293 RHRBUGNVUXSSCZ-UHFFFAOYSA-N 429.520 5.266 30 20 IKED Cc1cc(C)n(Cc2cccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2)n1 501305949 FWEVNEAXMRDTQQ-QFIPXVFZSA-N 437.528 5.034 30 20 IKED COCCCOc1cccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)c1 501926116 HLRKKSFNQYGDBR-UHFFFAOYSA-N 432.545 5.055 30 20 IKED Cc1cc(NC(=O)[C@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)nn1CCC#N 504097595 MVENRXLALRYFLM-HXUWFJFHSA-N 445.375 5.884 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2ccc(F)cc2)C2CC2)cc1 508248392 DXQIDVSQFKXMDO-UHFFFAOYSA-N 431.467 5.695 30 20 IKED Cc1noc(CSc2ccc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)cc2)n1 509677494 AIIYKTPJXFKDID-UHFFFAOYSA-N 442.500 5.587 30 20 IKED C[C@@H]1CCCCN1CCCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510003731 AUJUWGTXKWYQEJ-XXBNENTESA-N 439.003 5.772 30 20 IKED COc1ccc(CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C2CC2)cc1 511338258 QJHJJPDJZMNOBP-UHFFFAOYSA-N 441.531 5.537 30 20 IKED C[C@H](CCc1ccc(O)cc1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511392502 VXJMYCXCVGJYED-LJQANCHMSA-N 429.520 5.180 30 20 IKED C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511423542 ZVHOUDRQOIHNLH-LJQANCHMSA-N 439.515 6.303 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C 511580644 YICQLZKASPQPGX-UHFFFAOYSA-N 437.503 5.379 30 20 IKED COc1cccc(CN(C)C(=O)c2ccc(C3(C#N)CC3)cc2)c1OCc1ccccc1F 513013856 BTVWPUDXUJLEHZ-UHFFFAOYSA-N 444.506 5.241 30 20 IKED CC[C@H]1C[C@H](CC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)CCO1 513674230 DKZCXWBRPSSCQZ-CJNGLKHVSA-N 437.487 5.158 30 20 IKED Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)[C@H](C#N)c2nc3ccccc3n2C)cc1 513681341 AHKIAVJSVJMWPW-QFIPXVFZSA-N 445.526 5.284 30 20 IKED CCCc1c(NC(=O)N2CCC(c3cccc(F)c3F)CC2)cnn1-c1cccc(C#N)c1 514775827 XJWFZNYEKAKXQZ-UHFFFAOYSA-N 449.505 5.386 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)[C@H](Sc2ccccc2F)c2ccccc2)cc1 517987089 VHSKQKNNCALTMY-JOCHJYFZSA-N 435.524 5.605 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)s2)cc1 518642055 NBHJABFHSQDEBZ-QGZVFWFLSA-N 432.530 5.136 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)C1CCC(OC(F)F)CC1 519561926 SLBNKFGUXJHDOC-UHFFFAOYSA-N 433.339 5.481 30 20 IKED Cc1noc([C@H]2CCCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2)n1 519992626 AQVAJVBCDYSRRH-PXNSSMCTSA-N 435.915 5.098 30 20 IKED Cc1ccc(-n2cnnc2SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1C 520187318 IJFDFSVHDHHFBE-KRWDZBQOSA-N 437.594 5.009 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)cc1 524708349 GVLZUQBPACAOLR-UHFFFAOYSA-N 449.466 5.494 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(Br)cc1 531463300 LKRHYQGHJHPKTN-DNVCBOLYSA-N 444.398 6.070 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 532991074 UTOMIWUZJRZOJI-JPYJTQIMSA-N 435.955 5.093 30 20 IKED CC[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H](c1ccc(C)cc1)n1cncn1 535217169 SYNXYDBBZBWHCJ-LEDOBFOHSA-N 448.596 5.171 30 20 IKED CN(C)c1ccc(NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)c(C(F)(F)F)c1 537164784 GDNHKBPLCZLVOH-UHFFFAOYSA-N 440.315 5.227 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@@H]2CCC(C)(C)c3cccc1c32 537385066 VLHSRNVWTWWCQI-LLGFUMIMSA-N 447.604 5.436 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1cccc(NC(=O)c2ccccc2Cl)c1 537622073 OEWXUSHBKVGVSQ-ILBGXUMGSA-N 429.951 5.864 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1ccc(Cl)cc1)C1CCC1 538208398 RNBFVCFRZHTFAK-QMHKHESXSA-N 428.001 5.804 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)c1 539009298 PQRCKMVTSHWFPZ-UHFFFAOYSA-N 436.515 5.679 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1ccc(Cl)cc1)C1CCC1 539308436 JDPQGKAKNQMLRY-QMHKHESXSA-N 428.001 5.661 30 20 IKED COCCOc1ccc(C#N)cc1NCc1cccc(NC(=O)c2ccccc2Cl)c1 541370769 LARAFRZFOHFNOL-UHFFFAOYSA-N 435.911 5.101 30 20 IKED CC(C)NC(=O)Nc1cccc(-c2noc(/C=C\c3cn(CCC#N)c4ccccc34)n2)c1 544870887 LZBLMNUCGWUWLV-QXMHVHEDSA-N 440.507 5.305 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)c1C 558470119 FXFDTXDAOVBWSG-ROUUACIJSA-N 425.319 5.410 30 20 IKED N#Cc1c(F)cc(CNC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1F 559247985 YEFZLNAQOGJEQN-UHFFFAOYSA-N 435.455 5.200 30 20 IKED C=C(C)CN(CC)C(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 560744299 ZBMBXPLQSZWNOT-UHFFFAOYSA-N 425.916 6.004 30 20 IKED C[C@@H](NC(=O)NC[C@@H]1CCO[C@H]1c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 561804918 PCGAUKOBZPRJBP-PBXQCXKZSA-N 425.532 5.363 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3ccc(Oc4ccncc4)c(Cl)c3)cc2)ccn1 565452455 DPVIIAZYUDWECF-UHFFFAOYSA-N 442.862 5.839 30 20 IKED C[C@@H](NCc1ccc(OC(F)F)c(F)c1)c1ccc(OC(F)F)cc1OC(F)F 576176937 DQPGPQZDGZZNCV-SECBINFHSA-N 427.316 5.481 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(C(=O)Nc4cccnc4)cc3)c2)cc1 581218689 VVUFYQIXUKRCDO-UHFFFAOYSA-N 433.471 5.201 30 20 IKED Cc1ccc(NC(=O)[C@H](C)Sc2nc3c(cc2C#N)CCCC3)c(Br)c1 585688783 HWVQBXWKIUHGSQ-ZDUSSCGKSA-N 430.371 5.022 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1 589328098 ZSIGRLFBTPGVJP-RBBKRZOGSA-N 436.625 5.362 30 20 IKED CC(C)(CNC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1Cl 603538330 ZNPBKSSJEQRNMK-PHIMTYICSA-N 448.810 5.529 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2coc(-c3ccccc3)n2)cc1Cl 603765987 HRGYSGLVVQIMST-QFIPXVFZSA-N 427.891 5.832 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCn1c(C)nc2ccccc21 604360862 GOHDSYUGOVCNAQ-UHFFFAOYSA-N 425.492 5.139 30 20 IKED CCCOc1ccc([C@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC 609436141 GWNZMQQZFCRLJQ-SJORKVTESA-N 427.570 5.761 30 20 IKED Cc1nc(C)c(-c2csc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)n2)s1 609504077 NKPZZHFGNGHMSL-UHFFFAOYSA-N 433.518 5.195 30 20 IKED C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609682488 ZOVHBYKJKPNUMB-PGRDOPGGSA-N 429.495 5.686 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F 610174928 NLRLRBPGPDFVQE-ZIAGYGMSSA-N 426.410 5.732 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C[C@H](C(F)(F)F)O1 610415752 JABFXYBVLAVESR-OMWUSAIZSA-N 437.849 5.179 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)c(Cl)c1 611096863 OCZAITORLLRUFL-UHFFFAOYSA-N 425.197 5.322 30 20 IKED COc1cc(C#N)ccc1CN1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 611235498 CNQPVFODWOVCIK-RUZDIDTESA-N 446.595 5.256 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 612648117 CUCHYZPAGSXQIM-KRWDZBQOSA-N 441.984 5.834 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccc(OCC(F)(F)F)cc1 614293799 GYDCGIRUDVXHHE-UHFFFAOYSA-N 439.327 5.297 30 20 IKED CCCc1c(NC(=O)c2oc3ccccc3c2CSC)cnn1-c1cccc(C#N)c1 615291390 PNWHMRYZVYIPES-UHFFFAOYSA-N 430.533 5.558 30 20 IKED C[C@@H](CC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 619620672 JOAQUKIPICLTIV-BSLXNSKLSA-N 449.357 6.225 30 20 IKED COc1ccc(C[C@@H](NC(=O)NCc2ccc(C#N)c(Cl)c2)c2ccccc2)cc1OC 619770269 OBSOWIKKHFLSNP-JOCHJYFZSA-N 449.938 5.012 30 20 IKED C=CCn1c(SCC(=O)NCCCC(C)C)nnc1-c1ccc(Cl)cc1Cl 642063192 QJYMZGUQGRTSPT-UHFFFAOYSA-N 427.401 5.082 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cc(OC)c1OC 653951820 IWIOYAIWGWYHJH-UHFFFAOYSA-N 448.441 5.052 30 20 IKED O=C(N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)C1(Cc2cccc(F)c2)CCCCC1 672951235 LACPDWWTSCVYLE-HZPDHXFCSA-N 425.388 5.518 30 20 IKED Cc1cc([C@H](NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C2CC2)ccc1F 677590428 VTDSNVQYVMGMAB-IIAWOOMASA-N 426.376 5.358 30 20 IKED COc1ccc(C(=O)/C=C/c2ccc(-c3cccc(Br)c3)o2)cc1NC(C)=O 726428993 QZRCGEVKSVNHDZ-VQHVLOKHSA-N 440.293 5.572 30 20 IKED CC(C)(C)c1ccc(OCc2nnc(S)n2N=Cc2cnc(-c3ccccc3)s2)cc1 727254463 TVUIZNRJYKMKPX-UHFFFAOYSA-N 449.605 5.449 30 20 IKED CC(C)(C)OC(=O)N[C@H](CCC(=O)[C@@H](C#N)c1nc2ccccc2s1)c1ccccc1 729890865 SPDFOEZTJOKTHH-QZTJIDSGSA-N 435.549 5.519 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1 730166094 SGVKNFKWGGMMPF-UHFFFAOYSA-N 449.869 5.522 30 20 IKED C=CCc1cc(CNC(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cc(OC)c1OC 730908491 TUNJEQOEMFDLJN-UHFFFAOYSA-N 429.948 5.008 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)/C=C\c1ccccc1Cl 730996917 AKCATOICUWNIDI-FLIBITNWSA-N 446.903 5.777 30 20 IKED Cc1ccc(COc2cccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c2)cc1 732438506 VSKVXERYVNQQIN-UHFFFAOYSA-N 441.531 5.521 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)ccc1OC 733276103 CYAFPWLRIANRIY-AWEZNQCLSA-N 429.929 5.016 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](c1ccccc1)C1CCOCC1 734645999 BDTZAGWAEOHAIF-SANMLTNESA-N 441.531 5.948 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1)C(C)C 735171906 PTNAFYXUBLRTPY-AREMUKBSSA-N 440.547 5.743 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)/C=C\c2cccc(OC3CCCC3)c2)c1C 739668817 KKWUMNBILQBUOX-QINSGFPZSA-N 426.520 5.334 30 20 IKED C#CCOc1ccc(F)cc1NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C 741645396 HTXWQFOGWVCGRJ-UHFFFAOYSA-N 446.482 5.292 30 20 IKED CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)CC1 742309530 ZEEMYWSSLRBTGC-UHFFFAOYSA-N 449.551 5.113 30 20 IKED Cc1c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cccc1N1CCOC1=O 743789702 SOGQUNJRSOTLGK-UHFFFAOYSA-N 447.878 5.521 30 20 IKED C[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1C(F)(F)F 744024930 FELDITBVXGIHMS-NHYWBVRUSA-N 442.409 5.471 30 20 IKED CC(C)c1ccc(N2CC[C@@H](C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)C2=O)cc1 744034842 DOHPKVCAUMTJFY-ZWKOTPCHSA-N 437.952 5.302 30 20 IKED N#CCCn1cc(/C=C/C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)c(-c2ccccc2)n1 747121974 BUQIPOSTEYQCRS-VAWYXSNFSA-N 437.455 5.318 30 20 IKED Cc1nc(C)c(C(=O)N2C[C@H](c3ccc([N+](=O)[O-])cc3)SC2=Nc2ccccc2C)o1 748667932 SKIIDYPEKHTTMN-LJQANCHMSA-N 436.493 5.126 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(C)[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1C#N 752304727 JAXFXDYFEUXQDR-LBPRGKRZSA-N 435.311 5.658 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC[C@H](O)c1ccc(C#N)cc1 754951614 AJORQFSZWXPGGV-YJYMSZOUSA-N 442.382 5.137 30 20 IKED Cc1c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cnc(Cl)c1Br 759276224 MSCKSPJFAKFMGS-UHFFFAOYSA-N 446.688 5.102 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2sc(-c3ccccc3)nc2C(F)F)c1 761458046 YUWRGPFWQYXYLN-INIZCTEOSA-N 427.476 5.359 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(CC[C@@H](O)c4ccccc4)cc3)cc2)nc1 763003335 QTENWOFBQJRSFT-AREMUKBSSA-N 449.510 5.664 30 20 IKED CC(C)n1c(SC[C@H](O)c2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1Cl 763233443 SMKFGPZSXWUJGJ-SFHVURJKSA-N 433.364 5.530 30 20 IKED Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl 770099202 IRVDJNVVBNLJSR-MRXNPFEDSA-N 437.952 5.392 30 20 IKED CCCc1c(NC(=O)NCc2cccc(O[C@@H](C#N)CC)c2)cnn1-c1cccc(C)c1 772669676 RENNOMWKXWEGDM-OAQYLSRUSA-N 431.540 5.136 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 778391212 KZBHVONQQQFCOU-GGAORHGYSA-N 430.479 5.218 30 20 IKED N#Cc1cc(Cl)ccc1COC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 780039093 WUDIFXZJCPLZFT-UHFFFAOYSA-N 435.892 5.250 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 780579907 RNYAGCWPHKUHTI-WTPASJBYSA-N 433.533 5.070 30 20 IKED COc1cc(COC(=O)c2cc(Cl)ncc2Cl)ccc1OCc1cccc(C#N)c1 781369577 VWFSBONKIHVHQB-UHFFFAOYSA-N 443.286 5.205 30 20 IKED Cc1cc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C)s1 783356590 QXSHPGCEQZZZMQ-QGZVFWFLSA-N 428.966 5.981 30 20 IKED N#Cc1cccc(-c2cc(C(=O)N3CCC(O)(c4ccc(-c5ccccc5)cc4)CC3)on2)c1 790066883 GWJKWXNYIIRSJN-UHFFFAOYSA-N 449.510 5.004 30 20 IKED N#C[C@H](C(=O)CCOCC(F)(F)C(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 791775137 AEDCQXXZFRGZEB-SECBINFHSA-N 446.319 5.096 30 20 IKED COc1cc(C(=O)/C=C\c2c(C)nn(-c3ccccn3)c2Cl)ccc1SC(F)F 794708318 RPNKFMAKPJHTFY-FPLPWBNLSA-N 435.883 5.449 30 20 IKED CSc1nc(C2CC2)cc(-c2nc([C@@H](CC(C)C)NC(=O)OC(C)(C)C)no2)c1C#N 795715070 PEUGNWTYXOHION-QGZVFWFLSA-N 443.573 5.214 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)ccc21 796627508 BKKUIWRAJMACKL-QGZVFWFLSA-N 433.533 5.474 30 20 IKED N#C[C@@H](C(=O)CN1CCC(F)(c2ccc(Cl)cc2)CC1)c1nc2ccccc2s1 799181448 LDABPRRTGNDYFK-KRWDZBQOSA-N 427.932 5.087 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1cc(F)c(C(F)(F)F)cc1F 804260990 QMHPSIPXPSETGA-UHFFFAOYSA-N 433.226 5.439 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](NCc1ccc(C#N)cc1F)CC(C)(C)O2 810175051 DPSXXQBQDOVALZ-HXUWFJFHSA-N 425.504 5.436 30 20 IKED CCOc1ccc(OCC)c(NC(=S)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1 811707470 CJEXFBUJCDMPNG-UHFFFAOYSA-N 434.521 5.352 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1nc(-c2ccccc2)cs1 814850609 VSERHGWOQCWHNU-UHFFFAOYSA-N 440.454 5.517 30 20 IKED COc1cccc2c1[C@H](C(=O)[C@@H](C#N)c1nc(-c3ccc(Cl)cc3Cl)cs1)CC2 815911608 HLWZDXJUAQQBFB-HZPDHXFCSA-N 443.355 6.032 30 20 IKED Cc1ccc(N2C(=O)CC[C@@H](C(=O)N(C)Cc3ccc(C#N)cc3)[C@@H]2c2cccs2)cc1 914492253 VMINNPFFWRFKMI-RCZVLFRGSA-N 443.572 5.071 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1 915351595 AEFNASYPBCLANI-RUZDIDTESA-N 434.543 6.235 30 20 IKED N#C[C@H](C(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1 916884387 COYWVGRAHFLLKD-LLVKDONJSA-N 432.090 5.027 30 20 IKED N#C[C@@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)C(=O)NC1CCCCC1 916894916 CIPWGADZCRNWBJ-QFIPXVFZSA-N 431.511 5.064 30 20 IKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)oc2c1ccc1ccccc12 916926989 BTXBQTHFCLXRDB-QGZVFWFLSA-N 437.282 6.162 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1nc2cc(Cl)ccc2s1 917042486 BUSNGMLGKOZQHU-OAHLLOKOSA-N 444.368 6.146 30 20 IKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC[C@@H]2c2ccccn2)c1=S 919951606 NOESLUDJIZMBSP-JOCHJYFZSA-N 433.625 5.754 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(N2CCOC2=O)cc1 920977027 IUIMPBCMPFWKOB-KRWDZBQOSA-N 442.475 5.190 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)C[C@H](C)c3ccccc3)CCC2)cc1 1786370040 JFRGQQLEMKKPCP-NRFANRHFSA-N 434.580 5.297 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cccnc4[nH]3)CCC2)cc1 1789626600 YKKLTTJMOYVQCZ-UHFFFAOYSA-N 430.552 5.303 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)/C=C/C3CCCCC3)CCC2)cc1 1790565796 DGGHVNZSEAQPLM-JVVYVMHDSA-N 425.573 5.058 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cnc4cccc(Cl)c4c3)CCC2)cc1 1791584058 KVAWQEYIYCQKNZ-UHFFFAOYSA-N 445.950 5.439 30 20 IKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3cc4ccoc4s3)C2)CC1 1810502893 ZZVBJGPZTTZBPF-UHFFFAOYSA-N 426.582 5.108 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)CCCCC)[C@H]1c1cccnc1 1812696342 RCRBONYSTDIJIU-YMPZKCBVSA-N 427.633 5.296 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/Sc2ccc(C)cc2)n[nH]1 1819359406 ZUXNDUQBDCVGTL-UYCBQHLUSA-N 438.597 5.228 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)[nH]n1 1821924663 GLQOVBXZIZLRCS-LIRRHRJNSA-N 439.947 5.063 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)Cc2ccccc2)n[nH]1 1822587419 FDZWKBHUZSJIPS-XKCSPQBFSA-N 434.584 5.049 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)c(C)c3Cl)n[nH]2)C1 1823138985 IZKORHKFKZEJQZ-SFHVURJKSA-N 447.366 5.297 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC(F)(F)F)CC1 1828820720 DFIIIEOCIAPVCS-WOJBJXKFSA-N 428.539 5.107 30 20 IKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCCC(C)(C)C)CC1 1831577692 PZFXAZPGNJTSGC-GMAHTHKFSA-N 449.680 5.404 30 20 IKED CC(C)(C)CCCCCC(=O)N1CCCC12CN(C(=O)c1ccc(C#N)cc1Cl)C2 1846087059 OKISWYOFSOEZOP-UHFFFAOYSA-N 429.992 5.025 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2cccc(C)c2)c1 11126884 NLHPBIKXFIDTRT-UHFFFAOYSA-O 425.577 6.103 30 20 IKED COc1cc(C(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])s2)cc(OC)c1OC 11288685 WUIDIQWDDJWIFU-CSKARUKUSA-N 425.462 5.245 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(C)s2)=C(\S)Nc2ccc(Cl)c(Cl)c2)c1 22695261 JBFMJOJJDHCYCS-UHFFFAOYSA-O 436.409 6.010 30 20 IKED C=CCn1c(C2CC2)nn(CN2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1=S 27534509 BVUCHVAODNCNTC-UHFFFAOYSA-N 446.045 5.578 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccccc2C)[n+]2ccc(C(C)(C)C)cc2)cc1C 28778868 CKZOADKJLWNMGX-UHFFFAOYSA-O 431.625 6.248 30 20 IKED C=CCn1c(SCc2csc(Cc3ccccc3)n2)nnc1-c1ccccc1OC 31651090 LWLIIBYJAXYVET-UHFFFAOYSA-N 434.590 5.479 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(C)cc2O)nnc1-c1ccc(Cl)cc1Cl 58190633 DBPBJUYDGNXDOE-UHFFFAOYSA-N 449.363 5.183 30 20 IKED C=CCN(C(=O)c1ccnc(SCC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 64681465 MPEOJIVBIIVUDD-UHFFFAOYSA-N 426.523 5.058 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(C)n1CC(F)(F)F 64715088 IFPOMJDXKSEERT-ZDUSSCGKSA-N 439.409 5.559 30 20 IKED C=CCN(C(=O)c1csc(COC)n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 65049245 IRRAMJOIPXQCCN-UHFFFAOYSA-N 447.585 5.913 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1cccc(OCCCC#N)c1 108293998 JBVQENRNEKCMOP-UHFFFAOYSA-N 437.496 5.383 30 20 IKED CCc1ccc(-c2nc(CC(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)cs2)cc1 108736344 YKIRAFIHPRUCEU-UHFFFAOYSA-N 443.494 5.378 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)/C=C\c1ccccc1OC(F)(F)F 213652236 QHUNAFGSLRBPOG-FLIBITNWSA-N 439.393 5.605 30 20 IKED CC[C@H]1Oc2cc([C@H](C)NCc3cccc(OCc4ccccc4C#N)c3)ccc2NC1=O 237086515 MSVQVBMRJZYDAA-AVRWGWEMSA-N 441.531 5.098 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN(Cc1ccccc1C(F)(F)F)C1CC1 303402071 RIFVDYGAUXRXMK-INIZCTEOSA-N 447.526 5.560 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(CN[C@H](CCCC#N)c2ccccc2)cs1 433022490 VODNOJKGXRWAMC-JOCHJYFZSA-N 438.984 6.006 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc(-c2cccc(F)c2)no1 437138654 SVRYNARZVWOPKC-MRXNPFEDSA-N 442.450 5.225 30 20 IKED CSCc1nc2ccccc2n1CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 437462632 ONTRZCRCNHAXRE-UHFFFAOYSA-N 446.507 5.341 30 20 IKED CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 438654037 YXFBDLDDMVNEDX-HNNXBMFYSA-N 432.455 5.331 30 20 IKED COc1cccc([C@@H](NC(=O)N[C@H](CCC#N)c2ccccc2)c2cc(F)ccc2OC)c1 438851034 JQHUYVIPWRUTKO-ILBGXUMGSA-N 447.510 5.277 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 446620475 PINGLRSTTLCLBR-NRFANRHFSA-N 449.510 5.006 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 460567544 YGKPJEBSKWITNK-CZYKHXBRSA-N 426.630 5.210 30 20 IKED C[C@@H](CC(=O)c1ccccc1F)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 463287582 NBSNQLQDAYWOJN-SFHVURJKSA-N 430.479 5.318 30 20 IKED Cc1cccc(-n2ncc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)c2C(F)(F)F)c1 464416370 IBIYEHYJKZARKR-CQSZACIVSA-N 438.331 5.103 30 20 IKED C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F 467995351 PMCSAVSOVXSGKW-JFUSQASVSA-N 438.290 5.171 30 20 IKED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ncc(-c2ccc(Cl)cc2)o1 468773476 AYTSINVSOYLZGL-MRXNPFEDSA-N 434.927 5.751 30 20 IKED Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 470261782 VPDFNSDVMFUXAJ-IZZNHLLZSA-N 426.516 5.096 30 20 IKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(C4CC4)s3)c2C#N)C1 470854334 KHIDLZBRSMDRKV-CYBMUJFWSA-N 446.667 5.621 30 20 IKED C=CCN(Cc1cccs1)C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 472442637 BRPQMNDJSMWULH-CYBMUJFWSA-N 447.358 5.019 30 20 IKED O=C(Nc1cc(F)cc(NCC(F)(F)F)c1)c1cnc2ccccc2c1C(F)(F)F 473257111 OBFPCCFJIXASOI-UHFFFAOYSA-N 431.311 5.619 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1noc(-c2ccccc2)n1 473790275 DYFQKYUNPHRBSL-MRXNPFEDSA-N 425.448 5.283 30 20 IKED C[C@@H](NC(=O)N1CCSC[C@@H]1c1nccs1)c1ccc(-c2cccc(C#N)c2)cc1 474004001 AILHCXKRSJAIRK-IIBYNOLFSA-N 434.590 5.242 30 20 IKED Cc1ccc(C)c([C@H]2CCCN2C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 475559562 KQLBRZCPZCKQLL-JOCHJYFZSA-N 444.535 5.003 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(CN2CCCC[C@H]2C)cc1 478877047 UDRWSAIAJBNWRD-JOCHJYFZSA-N 437.632 5.126 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2ccc(F)cc2)nnc1-c1cccc(Cl)c1 481342847 ROTPSRHCPVVUIA-OAHLLOKOSA-N 444.963 5.235 30 20 IKED CC(C)c1nccn1Cc1cccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 484616120 QQSGKYYMOFVIRL-UHFFFAOYSA-N 436.515 5.971 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 486547729 IUCQGCQJFFUAIW-UPVQGACJSA-N 428.536 5.007 30 20 IKED Cc1ccsc1-c1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)o1 488774536 IGSAPNNTDOBEGU-LBPRGKRZSA-N 444.607 5.428 30 20 IKED C=C(C)Cn1c(S[C@H](C)c2nc3ccccc3n2C(F)F)nnc1-c1ccncc1 489391755 BGYTYNHVMDCZBD-CQSZACIVSA-N 426.496 5.514 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)c1nc(-c2ccccc2)no1 489632932 WWSVGBUTXOLAHA-QGZVFWFLSA-N 433.537 5.255 30 20 IKED Cc1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cnn1-c1cccc(Cl)c1 494131310 RBBQBHVIGVUZFA-UHFFFAOYSA-N 442.906 5.537 30 20 IKED N#CCCCN1C(=O)CCc2cc(NCc3ccc(Br)c(Cl)c3)ccc21 494849758 HWGRQCMEWIREPA-UHFFFAOYSA-N 432.749 5.298 30 20 IKED COc1ccccc1OC[C@@H](C)CNC(=O)c1ccccc1SCc1ccc(C#N)cc1 496259621 BKBSBMLKHLOKFR-IBGZPJMESA-N 446.572 5.304 30 20 IKED Cc1cc(Cl)ccc1Cc1cnc(NC(=O)N(CCC#N)Cc2ccccn2)s1 496473181 SKNJHCMTNUIFAR-UHFFFAOYSA-N 425.945 5.039 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1c(O)c(Cl)cc(Cl)c1Cl)c1ccccc1 497093474 LZSHJMXARQQFSR-UHFFFAOYSA-N 440.714 5.018 30 20 IKED CC(C)(CCC#N)CNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 497825522 FDJYTSGBFGONRM-UHFFFAOYSA-N 448.882 5.309 30 20 IKED Cc1c(C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)sc2ccc(C#N)cc12 498757792 HWBJNXUXAAXLKU-UHFFFAOYSA-N 426.423 5.538 30 20 IKED C=CCC[C@H](NC(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1)c1ccc(C(F)(F)F)cc1 500108780 VSCHIUDHJDKPPH-AEFFLSMTSA-N 434.462 5.172 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1SCc1ncc(-c2cccc(Cl)c2)o1 501540188 YCAWKRICEKNLQA-UHFFFAOYSA-N 444.004 5.093 30 20 IKED Cc1nc([C@@H]2CCCCCN2C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)no1 501806844 ZXAWVFRROKPREN-FQEVSTJZSA-N 436.899 5.453 30 20 IKED CCN1CCN(c2ccc(NC(=O)Nc3ccccc3SC[C@H](C)C#N)c(C)c2)CC1 503228123 YBBQQHKXKHKAGZ-GOSISDBHSA-N 437.613 5.033 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)[C@H]3CC=CC[C@@H]3c3nc4ccccc4s3)CC2)cc1 503892276 NQNAJKNFBFTQFV-VXKWHMMOSA-N 425.557 5.534 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 504934902 KTQPPSBQUFNFBF-QLBJFCOMSA-N 444.966 5.500 30 20 IKED N#C[C@@H](C(=O)Nc1nnc(-c2ccccc2)s1)c1nc(-c2ccc(Cl)cc2)cs1 505449473 PGVSPVTVPGMWSW-HNNXBMFYSA-N 437.937 5.228 30 20 IKED N#C[C@@H]1N(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CCC[C@@]12CCCCO2 505836857 DXSOMGKDOQCHPE-UGKGYDQZSA-N 448.350 5.035 30 20 IKED C=CCN(C(=O)CN1CCC(C)(C#N)CC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 506012686 MXYMRCHQTYRDOU-UHFFFAOYSA-N 449.407 5.262 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)c1ccccc1Br 511734332 LPFBHCWAPWQWDV-UHFFFAOYSA-N 443.322 5.222 30 20 IKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCc3nc(-c4ccsc4)no3)c2C#N)C1 512165369 QKJGWSUDUTTZOC-CQSZACIVSA-N 440.594 5.454 30 20 IKED C=C(C)CN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Cc1cnn(C(C)C)c1 512521387 DGUUMRIEYOLIJP-UHFFFAOYSA-N 428.886 5.153 30 20 IKED CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 517188176 RXYQPGZASIQPDI-FQEVSTJZSA-N 437.952 5.044 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(CCc1ccccc1)Cc1cccnc1 517473108 JKXZAERQUWBGKS-HXUWFJFHSA-N 430.577 5.610 30 20 IKED COCc1cccc2sc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)nc12 517645636 DJERZSIVUVNYLR-UHFFFAOYSA-N 429.501 5.553 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)cc2)nc1 517653219 BEIHNCMRTANGPV-UHFFFAOYSA-N 437.421 5.569 30 20 IKED CC1CCN([C@H](CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccccc2)CC1 518168490 IYMHYTMLLJUPIM-NZQKXSOJSA-N 436.625 5.533 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2csc(-c3ccc(C(C)C)cc3)n2)n1 518669438 DRFVMNPRFRAEMU-OAHLLOKOSA-N 425.535 5.057 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(-c3nccs3)cc2)cc1C 518913046 KAXOBVVQQWYJJQ-UHFFFAOYSA-N 427.533 5.456 30 20 IKED Cc1ccc(-c2nc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)sc2C)cc1 519483849 JVNCQIIDWIJCGE-UHFFFAOYSA-N 432.549 5.093 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 520194372 RFRRKUKJQKIXEI-GAJHUEQPSA-N 447.535 5.064 30 20 IKED CC(C)COc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1S[C@H](C)CC#N 521326653 BHZZKENZOUVZNF-GOSISDBHSA-N 434.565 5.554 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(-n2ccnc2)c(Cl)c1 522723150 BZEXQWLEYWGWAW-UHFFFAOYSA-N 430.920 5.801 30 20 IKED Cc1ccc(C(=O)N(C)C)cc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 523881773 RUPXYUFVHUVBEW-UHFFFAOYSA-N 433.895 5.267 30 20 IKED CCN(Cc1ccc2ccccc2c1)C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N 524563482 RBAPLKKTGMISDC-SFHVURJKSA-N 431.561 5.079 30 20 IKED C=CCn1c(SCC(=O)N2CCc3ccccc3[C@H]2C)nnc1-c1ccc(Cl)cc1 531368465 LYXSBQNCARANGG-MRXNPFEDSA-N 438.984 5.023 30 20 IKED CC(=O)N(c1nc(CN(C)Cc2ccc(C#N)cc2)cs1)c1c(C)cc(C)cc1Cl 535227838 VGFBDKJOADWELI-UHFFFAOYSA-N 438.984 5.602 30 20 IKED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)nc12 535635083 BQMNTTAEGXWMPB-INIZCTEOSA-N 427.851 5.074 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(Cc3cccnc3)CC2)cc1 536698854 RPRDKZZWBGIOED-UHFFFAOYSA-N 440.547 5.213 30 20 IKED CCN(CC)C(=O)c1ccc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)cc1 538082367 SOXIYXZNUZXDKE-UHFFFAOYSA-N 426.520 5.029 30 20 IKED C=CCN(C(=O)c1cnc(C)nc1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 538492071 MCMIWMYZZBJHTR-UHFFFAOYSA-N 426.545 5.717 30 20 IKED CCN(C(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1)c1ccc(C#N)c(Cl)c1 539174533 YPLXANXHMHBZEZ-UHFFFAOYSA-N 440.849 5.147 30 20 IKED Cc1ccc(NC2CCC(C#N)(c3ccccc3)CC2)cc1NC(=O)CN1CCCCC1 539930262 FJCFIFSOZIIBPU-UHFFFAOYSA-N 430.596 5.236 30 20 IKED C=CCC[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(C(F)(F)F)cc1 540430025 PHMLRDQNKANAMT-SFHVURJKSA-N 432.402 5.461 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)N(C1CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 541490798 MUOLQUZKBCLENQ-HNNXBMFYSA-N 447.457 5.360 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 542022898 CYJQMOPHIXMEHH-BEFAXECRSA-N 449.498 5.705 30 20 IKED Cc1ccc(-c2nc(CC(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)cs2)cc1 543877231 RVYMAIWNFQPPJI-UHFFFAOYSA-N 433.924 5.011 30 20 IKED N#Cc1ccc(C(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)cc1Cl 548608663 OSNGYHZEKPJROJ-UHFFFAOYSA-N 448.885 5.588 30 20 IKED C[C@@H]1CN(Cc2ccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)C[C@@H](C)O1 554319448 BWRDLOIMTFEPAL-SPYBWZPUSA-N 439.968 5.049 30 20 IKED N#Cc1cc(Oc2ccc(NCc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)cc2)ccn1 554981293 AUIFDGISMWGMLA-UHFFFAOYSA-N 449.436 5.621 30 20 IKED N#Cc1cc(C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)cnc1C(F)(F)F 556315696 BNFBLMPUBOFYFW-UHFFFAOYSA-N 439.768 5.532 30 20 IKED Cc1c(COc2ccccc2)cccc1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 556891631 ILENDRMWYLUBME-UHFFFAOYSA-N 443.522 5.440 30 20 IKED C[C@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 559054688 UUHZHSBSFKMJMZ-VGSWGCGISA-N 440.934 5.756 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 559158488 XAEMQLUSQSUCNC-UHFFFAOYSA-N 427.338 5.530 30 20 IKED CN(Cc1cccc(Br)c1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 564440863 FSTHVDIPARKZGP-UHFFFAOYSA-N 437.297 5.172 30 20 IKED CC(C)CC(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1 604443937 DEZYJWXGEFLJFU-UHFFFAOYSA-N 443.507 5.052 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)c2)cc1 604690959 SAKZWDRULQIJFV-HSZRJFAPSA-N 435.508 5.751 30 20 IKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 609098407 DVNGPPWFDCUQCK-VWLOTQADSA-N 429.495 5.192 30 20 IKED CSCc1c(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)oc2ccccc12 609171759 AWKSVQXXYWMUIH-HSZRJFAPSA-N 442.540 5.869 30 20 IKED CC1CCC(OC2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)CC2)CC1 609399484 ZFLWSZZAFALNQW-UHFFFAOYSA-N 434.540 5.337 30 20 IKED COc1ccc([C@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1Br 609401984 QMHUCGLOJWDTHV-KGLIPLIRSA-N 448.386 5.592 30 20 IKED CCOc1cccc2cc([C@H](C)NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)oc12 609497932 WNSAZEXLQWYVPA-INIZCTEOSA-N 427.460 5.381 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3cccs3)Cc3cccs3)cn2)cc1 609601074 NYDSXMCXIJWDKI-UHFFFAOYSA-N 446.557 6.103 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(Br)cc3F)c2)cc1 609642966 PQNYMBPUXRGALT-UHFFFAOYSA-N 425.257 5.291 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)c1 609725261 RZGGMCKGZBSDLN-CJFMBICVSA-N 446.934 5.902 30 20 IKED C[C@H](CCC1CCCCC1)NC(=O)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 609946895 AROGWYXSDBEHLZ-HXUWFJFHSA-N 447.579 5.135 30 20 IKED Cc1noc(C)c1[C@H](C)NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 610331697 DQTUPWGUXNLLTP-LBPRGKRZSA-N 444.413 5.857 30 20 IKED COc1ccccc1-c1ccc(CN(C(=O)N[C@@H](C)c2cccc(C#N)c2)C(C)C)cc1 610406427 AEDDFLKCVOOJEH-FQEVSTJZSA-N 427.548 5.915 30 20 IKED N#C[C@@H](C(=O)c1ccccc1SCc1cn2ccccc2n1)c1ccc2ccccc2n1 613292814 YDWVKJWOXXDZEC-OAQYLSRUSA-N 434.524 5.665 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2nc3ccccc3s2)o1)c1nc(-c2ccccc2)cs1 613392492 QBMAPZPFMDTEOA-OAHLLOKOSA-N 427.510 6.170 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1nc2cc(C(F)(F)F)ccc2s1 613405329 YKGVJLKNWBTZRK-LBPRGKRZSA-N 446.841 5.849 30 20 IKED O=C(Nc1ccc(OC(F)F)c(Cl)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618539495 NLHQQWFZGGIVIC-HTQZYQBOSA-N 440.718 5.536 30 20 IKED Cc1ccc(NC(=O)N2CCC[C@](C)(C#N)C2)cc1Oc1ncccc1Br 619208347 CXRKOTJAUWHROW-HXUWFJFHSA-N 429.318 5.102 30 20 IKED COc1ccc([C@@H](NCc2ccc(C#N)c(Cl)c2)c2ccccc2Cl)cc1OC 619754701 IPNYKFVVOOCMCR-HSZRJFAPSA-N 427.331 5.761 30 20 IKED C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cccs1 619854298 VCKSAECXCMOZQC-ZHRRBRCNSA-N 441.988 5.311 30 20 IKED O=C(Cc1cccc(F)c1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622516874 SPEFWJDWFJJETI-KRWDZBQOSA-N 435.339 5.006 30 20 IKED C=CCn1c(S[C@@H](C)c2nc3ccccc3n2C(F)F)nnc1-c1ccccc1OC 648199324 BMPKGXPFJNPNAF-AWEZNQCLSA-N 441.507 5.738 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2ccc([N+](=O)[O-])cc2Cl)cs1 727650443 XBXIENMAPQXTEZ-UHFFFAOYSA-N 429.889 5.144 30 20 IKED COc1ccccc1SC[C@@H](C)CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 729035989 KRZJJZSXJQIPHC-CVDCTZTESA-N 445.588 5.901 30 20 IKED N#C[C@@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1nc2ccccc2s1 730686830 QPFOQCBETUBFMF-LBPRGKRZSA-N 431.464 5.734 30 20 IKED CCCOc1nc2ccccc2cc1/C=C/C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1 731768794 QZMCKWDPFFNMKC-BESKYLIDSA-N 433.895 5.038 30 20 IKED O=C(Nc1cccc(C=NNc2ccc(Br)nc2)c1)c1ccccc1Cl 732713256 UVXZNNKCRPYTBD-UHFFFAOYSA-N 429.705 5.196 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2sc(-c3ccccc3)cc2OC)ccc1OC 733227810 DZYPTCVLTPCQSQ-SFHVURJKSA-N 436.533 5.043 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2csc(-c3ccccc3Cl)n2)ccc1OC 733229811 HLGSHLHNVZHNEN-OAHLLOKOSA-N 441.940 5.083 30 20 IKED CC(C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cccc(COc2cccc(C#N)c2)c1 734593395 UARIERQQYZHFGB-IBGZPJMESA-N 442.515 5.445 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CN(Cc2cccnc2)c2ccccc2)cc1 735649783 KKIOYWFUEBRAOW-MHZLTWQESA-N 432.527 5.382 30 20 IKED C[C@@H]1CN(c2ccc(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)cc2)CCO1 736497346 ZSFOELTXOUFVIJ-QGZVFWFLSA-N 447.922 5.481 30 20 IKED CCn1cc(NC(=S)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)cn1 743011886 TYAHKIIKMACCCF-UHFFFAOYSA-N 431.443 5.395 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)cc1OC 746546695 IWSSPSDGCAKUTD-KPKJPENVSA-N 431.492 5.148 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CC3(NC(=O)OC(C)(C)C)CCC3)n2)cc1 747108241 HBVSVPLJRMJSOO-QGZVFWFLSA-N 425.554 5.132 30 20 IKED C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 748535915 QVLWLCSUKQFXOI-FQRUVTKNSA-N 439.563 5.084 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1OC 749130319 IZJWJGRIMBDIII-NTUHNPAUSA-N 434.517 5.226 30 20 IKED CCOc1cc(/C=C\C(=O)c2cnn(C(C)C)c2)cc(Br)c1OC(F)F 750908393 GEQFBZNUPNTTFN-WAYWQWQTSA-N 429.261 5.123 30 20 IKED CCOC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)cc1C#N 752800578 XNMDKORCGKMABT-SFHVURJKSA-N 442.519 5.157 30 20 IKED C[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)[C@H](C)c1ccccc1C(F)(F)F 754486905 ZQFGCDPMJKBRIS-RLFYNMQTSA-N 438.453 5.024 30 20 IKED C[C@](O)(C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)c1cccc(C(F)(F)F)c1 754851083 QQJUSZBQTRTCDP-HSZRJFAPSA-N 440.421 5.002 30 20 IKED Cc1ccc(Cl)c(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccccc2)c1Cl 762441789 YNFJDSUAITUWIS-UHFFFAOYSA-O 441.363 5.784 30 20 IKED N#C[C@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)C(=O)Nc1ccc(Cl)cc1 769942515 MRTDEKUDYUPESX-INQNZLQJSA-N 427.209 5.287 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1coc2c(C)cc(Br)cc12 770842024 GFLPWBJCQKIDEC-INIZCTEOSA-N 435.277 5.499 30 20 IKED C=CC[C@H](C(=O)Nc1ccc(N2CCC(OC)CC2)c(C(F)(F)F)c1)c1ccccc1 777638048 ROHKVQAQJGUGOB-FQEVSTJZSA-N 432.486 5.619 30 20 IKED COc1c(Br)cc(Br)cc1CNc1ccccc1O[C@@H](C)C#N 779989578 XDNDPUPULIHWQI-NSHDSACASA-N 440.135 5.123 30 20 IKED N#C[C@H](C(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2s1 780303699 WQBRCSYARSDOSB-CYBMUJFWSA-N 444.356 5.589 30 20 IKED C[C@@H](OC(=O)C1(c2ccc(C#N)cc2)CC1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 781402048 YJAHJNOMRYOKHR-LLVKDONJSA-N 437.710 5.120 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CC[C@@H](c4cccc(C(F)(F)F)c4)C3)o2)cc1 784527318 LJOLWVOHFWUSDG-GOSISDBHSA-N 440.421 5.379 30 20 IKED COc1cccc([C@@H](C)CCCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 789404249 RBTNJTFHCOCLKW-KSSFIOAISA-N 433.335 5.623 30 20 IKED CN(C)c1ccc([C@@H](CNC(=O)c2cc(C#N)ccc2Cl)c2c[nH]c3ccccc23)cc1 794777510 IJRQTXNQAQPREQ-JOCHJYFZSA-N 442.950 5.321 30 20 IKED FC(F)(F)c1cc([C@@H](NCc2cnc(Cl)cn2)C(F)(F)F)cc(C(F)(F)F)c1 799163729 UTRPHDPDLFJMFD-GFCCVEGCSA-N 437.693 5.561 30 20 IKED CC(C)(COCc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 800386938 NUACOVUFGGYHET-MRXNPFEDSA-N 426.488 5.508 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(N3CCc4ccccc43)CC2)cc1 800518552 BUXBFFPWOZLJRL-AREMUKBSSA-N 436.559 5.401 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)n1ccc2ccccc2c1=O 805856210 WDSFETNYWHWCNA-AUUYWEPGSA-N 433.920 5.216 30 20 IKED O=C(N[C@@H]1CCCC1(F)F)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl 809272975 MIOJZDAJDGVMDO-SNVBAGLBSA-N 443.750 5.097 30 20 IKED CCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1OC 838527384 QBHVNBWQHBAROJ-NRFANRHFSA-N 439.581 5.072 30 20 IKED N#C[C@H](C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1ccc(Cl)cc1 916882451 FGYSJGQUIQLUIV-UZBHALLDSA-N 427.209 5.373 30 20 IKED Cc1ccc(Cl)c(O[C@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1 916888575 WQGDWQVCSMHKDE-IUODEOHRSA-N 438.883 5.078 30 20 IKED CC(C)CCSc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] 916912172 ZFLFNWBKEABRAS-HNNXBMFYSA-N 445.928 5.348 30 20 IKED N#C[C@H](C(=O)/C=C/c1cc(Br)ccc1F)c1nc2cc(Cl)ccc2s1 917045422 ZMVXNBHMCSQAKA-GJSZBTHVSA-N 435.705 5.741 30 20 IKED C=CCn1c(COc2ccccc2F)nn(CN(CC)Cc2ccccc2C)c1=S 917436505 JDTAFFUMCAPALP-UHFFFAOYSA-N 426.561 5.106 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cs1 917561572 HMRHCYJNJMTNOV-UXBLZVDNSA-N 441.896 5.594 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 920016799 IIYKBIRNOYFTPN-UHFFFAOYSA-N 432.392 5.036 30 20 IKED COc1ccc2c(c1)CCC[C@@H]2CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806104 UTWGAISRBLLZSV-QAPCUYQASA-N 438.499 5.783 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cccnc4[nH]3)CCC2)cc1 1785842163 RVSWSAMGHCIOPV-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4sccc4s3)CCC2)cc1 1786372766 WTZIGCJWGQVMGT-HNNXBMFYSA-N 440.590 5.302 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](OC)c3ccccc3)CCC2)cc1 1789451476 JLWCOMBSJCXUGM-DNQXCXABSA-N 432.564 5.277 30 20 IKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](S)C(C)C)CCC3)cc2)cc1Cl 1792140299 WNHWIMJWNCWUCV-FQEVSTJZSA-N 447.000 5.051 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2c1OC(C)(C)CC2 1796692726 KETYCDZBLNWYRK-WKCHPHFGSA-N 438.612 5.034 30 20 IKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H](C)c1ccccc1)C2)c1ccccc1 1798556327 KQFCUEOSFIFPEM-TVMVJRKWSA-N 442.603 5.016 30 20 IKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)CCc3ccccc3Cl)C2)CC1 1809353917 FJDQWUZIMMLWBQ-UHFFFAOYSA-N 443.031 5.272 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccsc3[nH]2)[nH]n1 1814443958 LHVNEOUDBRIROL-GOSISDBHSA-N 439.585 5.251 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)C1 1823699980 COPQTZSXQITDLP-HSZRJFAPSA-N 439.987 5.021 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)C1 1823700152 HFZKWXLZYSXDBW-TZRRMPRUSA-N 441.015 5.029 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](F)c2ccccc2)CC1 1824854545 FCNFUQPPLVIAHQ-ZEQRLZLVSA-N 426.576 5.085 30 20 IKED Cc1ccc(C2(C(=O)N3CCC([C@H]4CCCCN4C(=O)CCC#N)CC3)CCCCC2)cc1 1826694556 MDKLXJCWZGKKHG-RUZDIDTESA-N 449.639 5.120 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3sccn3c2)CC1 1827402026 FTRJRPSPMWRAKV-OAQYLSRUSA-N 441.641 5.227 30 20 IKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1829706283 LQKAUQGKTYQTBG-SANMLTNESA-N 446.566 5.139 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)ccc2F)CC1 1830552336 MKIQEECOSXJPQW-DEOSSOPVSA-N 426.576 5.136 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(-c3ccccc3)n2)CC1 1831370331 LGGKNKHGDNWMQG-RLWLMLJZSA-N 445.607 5.194 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 1832029798 QNZPLGXURJEKPV-QFIPXVFZSA-N 449.422 5.420 30 20 IKED CC/C=C(\C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1832516808 NTSXLXNLZHRSIC-NWKGEQBZSA-N 430.709 5.014 30 20 IKED Cc1cc(Cl)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1 1832609872 LERGEGUVWBTJOZ-DEOSSOPVSA-N 449.982 5.067 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N[C@@H](C)c2cccc3ccccc23)n1 10399589 KCYKJBYOKKNKLJ-AWEZNQCLSA-N 429.467 5.403 30 20 IKED CC(=O)N(c1nc(/C=C2\CCOc3ccc(F)cc3C2=O)cs1)c1ccc(F)cc1F 22756636 AMTZHCDQPTVLJV-MDWZMJQESA-N 444.434 5.294 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)nnc1-c1ccco1 28503996 AGSBCVBBWKCKBV-IAGOWNOFSA-N 432.549 5.235 30 20 IKED COc1cc(C(=O)N(C)c2cccc(C#N)c2)ccc1OCc1ccc(Cl)cc1Cl 63324982 JZHIJMUGAWVNAU-UHFFFAOYSA-N 441.314 5.729 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(Cl)c(F)c2)c1 63839319 ZYGMVJRNQZIBQG-UHFFFAOYSA-N 439.899 5.334 30 20 IKED COc1ccc(C#N)cc1NC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 64455334 XOLKKEKBDIKCCO-ZDUSSCGKSA-N 427.913 5.136 30 20 IKED C=CCn1c(=S)sc2c(=O)n(Cc3cnc(-c4ccc(C(C)C)cc4)s3)cnc21 71858286 QICWGFAOWUMNJD-UHFFFAOYSA-N 440.619 5.470 30 20 IKED C=CCn1c(SCc2csc(COc3ccc(C)cc3)n2)nc2sccc2c1=O 105458091 IRDWNFDPHYBWOM-UHFFFAOYSA-N 441.603 5.280 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3nc(C)c(SCC#N)s3)c3c(C)noc3n2)c(C)o1 107900777 SUNMFUDGTMQLCG-UHFFFAOYSA-N 439.522 5.041 30 20 IKED COc1ccc(/C=C\C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1OC 207310360 DLPBNYPLBXFPTA-UVTDQMKNSA-N 428.488 5.001 30 20 IKED C=CCn1c(SCc2cnc(-c3ccc(C(C)C)cc3)s2)nnc1-c1cccnc1 302698698 NDDOHGZCUFENLM-UHFFFAOYSA-N 433.606 6.065 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CNC(C)(C)c1ccc(Cl)c(Cl)c1 303409900 UMOBMDZENFKTJM-AWEZNQCLSA-N 436.408 5.709 30 20 IKED Cc1csc(C(C)(C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)n1 303601093 ADXYDTBIOQBXQZ-UHFFFAOYSA-N 440.956 5.612 30 20 IKED C=CCN(C(=O)c1ccc2nc(C)sc2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 432713033 GUBOPJPEEUHTHV-UHFFFAOYSA-N 436.518 5.469 30 20 IKED CC(C)(C)CC(C)(C)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 434444470 JLYFXRCYGTXSOD-LJQANCHMSA-N 425.960 5.265 30 20 IKED C=CCn1c(S[C@H](Cc2ccc(Cl)cc2F)C(C)=O)nnc1-c1ccccc1OC 436117366 IBEPNLXBZLZHBI-HXUWFJFHSA-N 445.947 5.225 30 20 IKED C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1 436252963 KTIZFHPQWYLMSG-HRAATJIYSA-N 432.467 5.066 30 20 IKED Cc1ccnc(Oc2cc(NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)ccc2C)c1 438674064 NNGRZILHXMFBQD-UHFFFAOYSA-N 428.536 6.053 30 20 IKED CN(C(=O)Nc1cnn(-c2ncccc2C#N)c1)[C@@H](c1ccc(Cl)cc1)C1CCCC1 439387655 YRXUHBFFYRGYNT-OAQYLSRUSA-N 434.931 5.188 30 20 IKED CCCc1c(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cnn1-c1cccc(C#N)c1 440071152 ACZIMUQBESYNSI-UHFFFAOYSA-N 444.926 5.096 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 443944230 MZLIQLCWAQHCBD-UHFFFAOYSA-N 443.894 5.611 30 20 IKED O=C(N(CCC(F)(F)F)CC(F)(F)F)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 448529772 BBNZQQUTTTZTRS-UHFFFAOYSA-N 437.302 5.251 30 20 IKED C=CCN(Cc1cccs1)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCOC1 461561583 BFUSNYBQLWLPID-LJQANCHMSA-N 440.638 5.169 30 20 IKED C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 462808650 DUEIWFVFBFOBDF-NLFFAJNJSA-N 441.600 5.101 30 20 IKED CCN(C(=O)CCc1nc2cc(Br)ccc2s1)[C@@H](C)c1ccc(C#N)cc1 463175505 ZCLJMUHMIUXHBY-AWEZNQCLSA-N 442.382 5.473 30 20 IKED N#CCCn1cc(CNCc2ccc(OCc3ccccc3F)cc2)c(-c2ccccc2)n1 463710726 ZFYSOSJVXSJCEH-UHFFFAOYSA-N 440.522 5.472 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc2ccc(F)cc2o1 466746119 NZVWFZVLWNOWGG-UHFFFAOYSA-N 430.892 5.269 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@H]3C[C@@H]3c3ccc(C(F)(F)F)cc3)ccc21 469953429 NNQWFVSCKHVGMM-WOJBJXKFSA-N 441.453 5.031 30 20 IKED CC(C)(C)[C@H]1CN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)c2ccccc21 470311223 ZMEQWSFVCNSYOX-NRFANRHFSA-N 443.507 5.162 30 20 IKED CCSc1cc(Cl)ccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470790806 XNHXMTVHWYLTNB-UHFFFAOYSA-N 427.957 5.287 30 20 IKED Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 472840253 UPXIDPWDYJLCBR-GOSISDBHSA-N 426.476 5.097 30 20 IKED CCN(C(=O)Cc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1)c1ccccc1 474949709 VBDBWAYNAFMTTJ-QHCPKHFHSA-N 425.532 5.308 30 20 IKED C[C@H]1CN(C(=O)C[C@@H](CC#N)c2ccccc2)c2ccccc2N(Cc2ccccc2)C1=O 476262894 RECNUQHLJPJBBB-XUZZJYLKSA-N 437.543 5.290 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@@H](CC)c2cccc(Cl)c2)nnc1-c1ccco1 480088877 BGJDZGPXHZZWKB-KRWDZBQOSA-N 430.961 5.127 30 20 IKED Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 480108808 ZOLQVVRLDYTMHT-UHFFFAOYSA-N 431.492 5.276 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)N[C@H](C)c2ccc(C#N)cc2)nc1-c1ccccc1 481294916 MVRWYAUVWASEBW-GCJKJVERSA-N 428.536 5.944 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c(OCCC(C)C)c1 482590591 IHSJDXONCXUYBV-QGZVFWFLSA-N 427.451 5.355 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CCOc1ccccc1I 485692785 GRTJOJCEHWWFCW-UHFFFAOYSA-N 449.332 5.551 30 20 IKED Cc1nc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nn1-c1ccc(F)cc1 487059082 GWWGEBODLQSYFG-NRFANRHFSA-N 445.885 5.276 30 20 IKED Cc1cc(NCc2nnc(-c3ccc(C#N)cc3)o2)ccc1-c1ccc(Br)cc1 488226366 UHDBSOIPCWVQOF-UHFFFAOYSA-N 445.320 5.958 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)nnc1-c1ccc(C)cc1 489612216 CFRXLZUSBBWZCU-INIZCTEOSA-N 442.535 5.029 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)c3nc(O)c4c(C)c(C)sc4n3)o2)cc1 489801463 ALLRXLHYLZXHIJ-CYBMUJFWSA-N 440.550 5.482 30 20 IKED N#Cc1ccc(Br)c(CN[C@@H](c2ccccc2OC(F)F)C(F)(F)F)c1 492607212 MNWUGWOQDQQUQK-HNNXBMFYSA-N 435.190 5.315 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(F)ccc(C)c1Br 494313981 PDRLDEQTCSKGQI-UHFFFAOYSA-N 440.272 5.516 30 20 IKED CC(=O)Nc1ccc(Cl)c(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 494391713 LJAPDJKCRMGBFH-UHFFFAOYSA-N 435.886 5.152 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccc(Br)c(F)c1 494747516 UNEBDHXFZPAKSR-CYBMUJFWSA-N 436.350 5.504 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cccc(OC(F)F)c1 496592340 LTUANXFXBXNWRI-UHFFFAOYSA-N 437.899 5.590 30 20 IKED CCN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@H]1CCN([C@H](C)c2ccccc2)C1 501955217 KQWQOFNLUXMIBT-OFNKIYASSA-N 443.547 5.028 30 20 IKED COc1cc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)ccc1OCc1cscn1 505547905 WFUXJIGSMAHIKC-MRXNPFEDSA-N 448.331 5.032 30 20 IKED CCn1c([C@@H]2CCCN2C(=O)c2ccc(COc3ccccc3C#N)o2)nc2ccccc21 506156491 RBRDLTYEOURROA-QFIPXVFZSA-N 440.503 5.077 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2SCc2cccs2)cc1 508132472 NQXPNEKLXJNOKZ-UHFFFAOYSA-N 448.613 6.107 30 20 IKED COCCN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 508265683 CMDMLIHHXDZCPF-UHFFFAOYSA-N 431.492 5.040 30 20 IKED Cn1ccnc1Sc1ccccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 509110852 MCZMTDZSZXJZFU-UHFFFAOYSA-N 440.528 5.274 30 20 IKED CN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 509962518 DYAUOIJCZQQJFM-UHFFFAOYSA-N 440.315 5.572 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1Cl 510024575 WBNOZDMHAAVPIB-DEOSSOPVSA-N 444.966 5.345 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1[nH]c2ccccc2c1Br 510242003 MFOLHRCEPXINTG-UHFFFAOYSA-N 446.304 6.155 30 20 IKED CCCC(=O)Nc1ccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 510693130 NIZDLLOYMIYTQH-UHFFFAOYSA-N 428.492 5.411 30 20 IKED COC(=O)c1ccc(Cl)c(CSCC(=O)Nc2ccccc2SC[C@H](C)C#N)c1 511936034 YVYPXPQUHXTGBB-CQSZACIVSA-N 448.997 5.250 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)nc2ccccc2c1=O 513956690 HGUSRJKVFLXYLV-SFHVURJKSA-N 447.560 5.006 30 20 IKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1ccccc1-c1ccccc1C#N 514567442 HSXJPJLRLGYBCG-UHFFFAOYSA-N 446.510 6.430 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OC)c(Br)c3)n2)cc1 516714200 UHXFLNPRMKFXKY-HNNXBMFYSA-N 443.322 5.080 30 20 IKED C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 518147777 JIVIPEBCJFALEH-DYVFJYSZSA-N 447.482 5.558 30 20 IKED Cc1cccc(-c2cccc(CNC(=O)C(=O)Nc3ccccc3SC[C@@H](C)C#N)c2)c1 518157953 AEVXJWYUVKVJHP-IBGZPJMESA-N 443.572 5.169 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1(c2ccccc2)CCCCCC1 518159341 SWQWLXQZMHHNOP-HXUWFJFHSA-N 449.620 5.285 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)c(C)c2c1 519057836 VCOFGJPFDBCLJS-UHFFFAOYSA-N 438.483 6.179 30 20 IKED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 519501208 PSPUJIZWCFLIAF-UHFFFAOYSA-N 442.346 5.424 30 20 IKED CC(C)c1nc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)nn1-c1ccccc1Cl 520828601 MCGALBCTKSEKEZ-HNNXBMFYSA-N 439.972 5.548 30 20 IKED C=CCN(CCc1ccccc1)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 520960696 SAIKAFNCOGHMEL-LJQANCHMSA-N 430.508 5.034 30 20 IKED COc1ccc(OCc2ccccn2)c(CNC2CCC(Oc3ccccc3C#N)CC2)c1 521378405 JMYFQYZJSDJVAS-UHFFFAOYSA-N 443.547 5.021 30 20 IKED C[C@@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1ccc(NC(=O)NC2CC2)cc1 523122203 PMTYYRRMMZTFGW-QGZVFWFLSA-N 439.519 5.077 30 20 IKED Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)n1 532500291 LIBWLKRLYCGLRO-QHCPKHFHSA-N 446.938 5.863 30 20 IKED CC[C@H](C)n1ncc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C1CC1 536486226 RTUYENHVFOEZNM-KKSFZXQISA-N 447.970 6.684 30 20 IKED C[C@H](N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1)c1ccc(C#N)c(F)c1 537406972 IMZUMLCGJROGQK-QWHCGFSZSA-N 430.346 5.995 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 537517928 XIPVRVCAFYVHTA-LPHOPBHVSA-N 432.553 5.235 30 20 IKED Cc1cc(NC(=O)NCc2ccc(Oc3cccc(Cl)c3Cl)cc2)nn1CCC#N 538617655 WLBSWEOPUUHYAK-UHFFFAOYSA-N 444.322 5.526 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1cccc(OCc2cccnc2)c1 538848520 ZWGOQSGQSAUJQD-UHFFFAOYSA-N 449.510 5.814 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 539014311 DHBIJFPLAIMOMY-UHFFFAOYSA-N 449.383 5.309 30 20 IKED C=CCC[C@@H](NCc1csc(N(C(C)=O)c2cccc(Cl)c2)n1)c1ccccc1 540455380 FUUVBAHSVKVRRJ-JOCHJYFZSA-N 425.985 6.278 30 20 IKED CCc1ccc([C@H](N[C@@H](C)c2ccc(C#N)c(F)c2)c2cccc(S(C)(=O)=O)c2)cc1 540710993 YZHKBWYRJZVGSU-GKVSMKOHSA-N 436.552 5.103 30 20 IKED C[C@H](NC(=O)N1CCC(C(=O)c2ccccc2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 542084149 DKLAEGGBCVTMPG-FQEVSTJZSA-N 437.543 5.591 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)[C@H](C)c1ccccc1C(F)(F)F 542566447 KTZWSZODIQTVGM-IXDOHACOSA-N 449.542 5.820 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)N(CCC#N)Cc1ccco1 543322111 WJVCJSGBNOGNLI-UHFFFAOYSA-N 434.496 5.952 30 20 IKED C=C(C)Cn1c(C2CCC2)nnc1N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 549658407 VAZKPERLBPDWNV-UHFFFAOYSA-N 448.398 5.284 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3C[C@H](c4ccccc4)[C@H]4COCC[C@@H]43)cc2)cc1 554415306 NWBKNBACDFCHTC-CYXNTTPDSA-N 439.515 5.387 30 20 IKED N#Cc1ccc(N2CC[C@H](C(=O)Nc3ccc(Oc4ccc(Cl)cn4)cc3)C2)c(F)c1 567070200 KZSOIYOPEWGGIJ-INIZCTEOSA-N 436.874 5.003 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC 570185206 FJSWKXBMSQKODN-HSZRJFAPSA-N 443.503 5.737 30 20 IKED N#Cc1ccc(-c2nc(C3(c4ccc(Br)cc4)CCOCC3)no2)cc1Cl 570318144 CVBPENLIVMKLJC-UHFFFAOYSA-N 444.716 5.121 30 20 IKED CC(C)(C)[C@H](Cc1ccccc1C(F)(F)F)NCc1nnc(-c2cccc(C#N)c2)o1 574083680 HPSLYULHYNHWQX-IBGZPJMESA-N 428.458 5.374 30 20 IKED COc1cc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1C#N 575840906 FZUORKPCRXLXTE-OAQYLSRUSA-N 430.895 5.197 30 20 IKED CCOc1c(Br)cc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1OC 592974158 PCKRRPMXEXUVON-GFCCVEGCSA-N 449.301 5.095 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C 603527610 WHHGNVVRACFEOX-UHFFFAOYSA-N 443.576 5.663 30 20 IKED Cc1sc(NC(=O)c2cccnc2Oc2cccc(Br)c2)c(C#N)c1C 603728847 QPCXMTJHBQWSMA-UHFFFAOYSA-N 428.311 5.439 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 604496243 QKONUVPTYRWFLZ-IBGZPJMESA-N 447.510 5.409 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604499474 CHGWXKGJRBUJGA-OAHLLOKOSA-N 440.425 5.989 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C 609437247 GIACRJUJUREANO-FOIQADDNSA-N 427.545 5.062 30 20 IKED COC[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1cccc(C(F)(F)F)c1 609825944 CZSCDAXHRQHOSJ-DEOSSOPVSA-N 440.465 5.633 30 20 IKED COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)N[C@H](C)c1cccc(C#N)c1 610408128 JWFJWGLMVOSOES-LEWJYISDSA-N 427.548 5.471 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3sc(-c4ccccc4)nc3C(F)F)cn2)cc1 611183239 YEHKEIWVVQJBBD-UHFFFAOYSA-N 448.454 6.059 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(NC[C@@H](C#N)CCC#N)cc2)CC1 615464580 DGLBUYUEWQFFIZ-DZRGJMJISA-N 448.998 5.994 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 615641393 LJCFXRISRKZZTE-UHFFFAOYSA-N 433.533 5.463 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCCCC(=O)Nc1ccc(Cl)cc1 615748447 ZBURSCJRGAQXKA-UHFFFAOYSA-N 426.369 5.171 30 20 IKED O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 620816086 OCIWDGWYHOTOGV-OCAPTIKFSA-N 426.254 5.439 30 20 IKED COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 642602536 QXVOVCIUIVWRRF-JOCHJYFZSA-N 432.907 5.388 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1Sc1ncnc2sc(C)c(C)c12 669672828 AAGKYECSYJSJBV-UHFFFAOYSA-N 443.985 5.469 30 20 IKED C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1cc(F)c(Cl)cc1Cl 674423010 ORDIFPPUXJJNLX-CNUIFLNQSA-N 441.174 5.576 30 20 IKED CC(C)(C)[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F 675204240 JHKOKVYMVFFRJT-JRPNMDOOSA-N 446.382 5.824 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=S)Nc2ccc(C#N)c(Cl)c2)cc1 726481017 QTIUZXVCRTXJFQ-UHFFFAOYSA-N 434.927 5.622 30 20 IKED C=CCCC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 726521830 VYWDFXVOTNOJPY-UHFFFAOYSA-N 426.510 5.015 30 20 IKED C/C(=C\C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1Cl 727628336 VBAWWWHGYQGHMS-XBVMLYLOSA-N 430.891 5.883 30 20 IKED N#CCOc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 727933636 BWTSVBSSVAXZPX-QFIPXVFZSA-N 430.895 5.220 30 20 IKED COc1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1Cl 727978623 JYTUFFKDXJPNQT-UHFFFAOYSA-N 437.952 5.917 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1(NC(=O)OC(C)(C)C)CCCC1 728029040 VJXDQAAXXOJSEL-UHFFFAOYSA-N 449.551 5.222 30 20 IKED O=C(O)COc1ccc(/C=C2/CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)cc1 728438757 NCZXGJIUNXAYCY-PTNGSMBKSA-N 425.893 5.139 30 20 IKED Cc1ccc(Cn2nc(C)c(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c2Cl)cc1 730418045 XBRHDPSUWCOHSJ-INIZCTEOSA-N 438.915 5.441 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCCc2cc(OC(F)F)ccc21 731031368 SHFZCRDXEXWCIS-OAHLLOKOSA-N 431.508 5.074 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(CC2CC2)C(=O)N[C@H]1c1ccc(O[C@H](C)C#N)cc1 731430079 LKHGROWUAYXSCV-CMJOXMDJSA-N 449.938 5.107 30 20 IKED Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)Nc1ccccc1S[C@H](C)CC#N 731640403 NWMPKRQHBTUDCU-QGZVFWFLSA-N 434.517 5.626 30 20 IKED COc1cc(OC)c(C(=O)/C=C/c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1Cl 733083117 DGJBXHFDQBXPPU-VOTSOKGWSA-N 430.869 5.285 30 20 IKED C=CC[C@@H](NC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)c1ccncc1 734460577 QNNLPQNWQNKKDC-OAQYLSRUSA-N 446.938 5.097 30 20 IKED C=C(Cl)CNC(=O)c1ccccc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 736240054 HDPWOZYGWULHTD-UHFFFAOYSA-N 429.756 5.207 30 20 IKED O=C1/C(=C/c2nc(-c3ccccc3)cs2)COC/C1=C\c1nc(-c2ccccc2)cs1 741448386 XNDZNSJTSIPJKV-AYKLPDECSA-N 442.565 6.000 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(Cc2ccccc2)C(=O)N[C@@H]1c1scnc1C 743738130 AYDZPZHAPCASDJ-FQEVSTJZSA-N 437.952 5.372 30 20 IKED CC(=O)C1=C(c2ccc(C)cc2)N(CCc2cccs2)C(=O)N[C@H]1c1scnc1C 743740923 BRQCYBHMQQRMPU-HXUWFJFHSA-N 437.590 5.131 30 20 IKED COc1ccccc1-c1nc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cs1 747022460 YZPXUKPGXBUNNO-HNNXBMFYSA-N 446.315 5.087 30 20 IKED CC(C)c1nn(-c2ccccc2)c(Cl)c1/C=C\C(=O)c1ccc(N2CCOC2=O)cc1 748584070 LZLSULJTWKDFQG-SEYXRHQNSA-N 435.911 5.502 30 20 IKED COc1ccc(/C=C(/C)C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F 754106558 ZZHHBFDFGBAUKC-DCKDXSSCSA-N 427.360 5.263 30 20 IKED N#Cc1ccccc1/C=C1/CC2(C/C(=C\c3ccccc3C#N)C1=O)C(=O)Nc1ccccc12 755588336 PUDZIMRVRNSLFJ-NQGGHMMCSA-N 441.490 5.150 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)Cc1ccccc1NC(=O)OC(C)(C)C 755880440 CABGSKWMCROLFR-MRXNPFEDSA-N 425.554 5.467 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1cc(F)ccc1Sc1ccc(Cl)cc1 759194574 UEFNXGYNOWWZLK-CQSZACIVSA-N 426.900 6.173 30 20 IKED C#CCNC(=O)c1cccc(-c2noc([C@@H](C)Sc3ccnc4cc(Cl)ccc34)n2)c1 761796456 QVLYIBSJAUFHRJ-CQSZACIVSA-N 448.935 5.155 30 20 IKED N#C[C@H](C(=O)CN1CCC(c2ccccc2C(F)(F)F)CC1)c1nc2ccccc2s1 761966965 ZKXWVERARPHLKH-QGZVFWFLSA-N 443.494 5.371 30 20 IKED C[C@@H](C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C1CC1 764755507 XDWXPTCRIBZTIS-RXMQYKEDSA-N 428.213 5.017 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc4c(c3)CCC4)n2)cc1 766326441 QWOAGINOYMHGME-QFIPXVFZSA-N 427.529 5.206 30 20 IKED O=C1/C(=C/c2csc(-c3ccc4c(c3)OCO4)n2)CCc2ncc(C(F)(F)F)cc21 777466407 CMWJCQSIILLLHF-VZUCSPMQSA-N 430.407 5.165 30 20 IKED COc1ccc(-c2nc(SCc3ccc(OC(C)C)c(Cl)c3)nc(O)c2C#N)cc1 777499412 HBJMZXJJFFVXIR-UHFFFAOYSA-N 441.940 5.462 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc(C)o2)s1 781765673 QHVJHYLKXNDZOJ-CYBMUJFWSA-N 428.897 5.248 30 20 IKED C[C@@H](CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1c[nH]c2ccccc12 786322786 MFJYGGZUZQFQTG-SWLSCSKDSA-N 427.451 6.166 30 20 IKED Cc1cc2c(Br)ccc(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)c2o1 786639675 VZXJRYATAPGLGF-UHFFFAOYSA-N 434.633 5.189 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(CC)Cc1cc(Br)ccc1O 789451003 SAYQTOKIHIGGRX-UHFFFAOYSA-N 431.374 6.061 30 20 IKED C=CC[C@H](OC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccc(Cl)c(Cl)c1 791055405 VJOKNWWIFYECJO-QAPCUYQASA-N 425.333 5.115 30 20 IKED CSc1nc(C2CC2)cc(-c2nc([C@H](CC(C)C)NC(=O)OC(C)(C)C)no2)c1C#N 795715066 PEUGNWTYXOHION-KRWDZBQOSA-N 443.573 5.214 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2c(-c3cccc(Cl)c3Cl)noc2C)c1 797451059 IMCOMEBEPQKKGU-HNNXBMFYSA-N 444.318 5.568 30 20 IKED C=CC[C@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1)c1ccc(Cl)c(Cl)c1 797553823 ZUFCCWDFLHTBMF-XLIONFOSSA-N 433.335 5.101 30 20 IKED C#C[C@H](NC(=O)N[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1)c1ccc(Cl)cc1 811860380 LZKYHXVJZNDHDS-VGSWGCGISA-N 449.938 5.057 30 20 IKED Cc1nc(NC(=O)c2ccsc2NC(=O)c2ccccc2Cl)sc1SCC#N 813432533 NAPIGXKTVLJTKZ-UHFFFAOYSA-N 448.982 5.287 30 20 IKED C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 814577188 MEDMUBANBUSYRV-DFBJGRDBSA-N 428.511 5.224 30 20 IKED CC(C)(C)c1csc(NC(=O)C(=O)Nc2cccc(COc3ccccc3)c2)c1C#N 815591798 QTNJCCDUVLLICQ-UHFFFAOYSA-N 433.533 5.073 30 20 IKED CC(C)CN(C(=O)COc1ccc(C2SCCCS2)cc1)c1ccc(C#N)cc1 914510296 BDMADRQJEMYDIT-UHFFFAOYSA-N 426.607 5.495 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)cc1 915086283 SEWHXNTYYMZAQF-LJQANCHMSA-N 447.420 5.194 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)cc1 915088035 ZKIOKYUEZPLOQJ-FQEVSTJZSA-N 435.508 6.464 30 20 IKED CC(C)c1ccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1 916849576 XYGMFOBNVWZRRA-NRFANRHFSA-N 426.545 5.512 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cc1coc2cc(C)c(C(C)C)cc12 916899614 KPGUCXOFPLVTKA-HSZRJFAPSA-N 430.548 5.880 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(CSc2ccccc2)cc1 916906811 JWYRMFFYNYTOCD-XMMPIXPASA-N 442.584 6.065 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3cc(Br)ccc3o2)cc1 916948839 KCCPWIQONCFNNB-FZKQIMNGSA-N 439.309 5.670 30 20 IKED CC(C)(C)n1cc(C(=O)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1 916996548 KWSZAGZQMDJERY-AWEZNQCLSA-N 447.347 5.128 30 20 IKED C=CCn1c(SCc2c(C)nn(Cc3ccccc3)c2Cl)nnc1-c1cccnc1 917195458 NAALJPIRKOFMPY-UHFFFAOYSA-N 436.972 5.025 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(C)c([N+](=O)[O-])c2)cs1 917562261 YBRVEZZBMKAVEC-JXMROGBWSA-N 425.441 5.080 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(N3CCCCC3)cc2)cs1 917562318 DXFJAFMPSRQBIU-ZROIWOOFSA-N 449.551 5.853 30 20 IKED C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920142962 XUWQMJJDTNRLMZ-KKSFZXQISA-N 429.545 5.623 30 20 IKED COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1ccccc1-c1ccccc1C#N 921182565 CUYNHDFIRHSZNC-HNNXBMFYSA-N 434.879 5.071 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3oc4ccccc4c3C)cc2)CCC1 1788967689 ZBDOLQLLILTXPE-SFHVURJKSA-N 447.535 5.290 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3c(Cl)cccc3s1)C2 1798334566 CVZOJWIKNKWRSH-MHORFTMASA-N 443.012 5.575 30 20 IKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCSCc1ccc(C)cc1 1802129767 ZPMIQFANJBWCCT-BKFWDETESA-N 440.653 5.025 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)/C(C)=C/c2cccs2)[C@@H]1c1cccnc1 1810176342 XETIGGQFOLOTMQ-GAYSOSQNSA-N 449.620 5.021 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3ccoc3c2)[nH]n1 1814444032 PESPKUJXJAMUJQ-FQEVSTJZSA-N 434.540 5.454 30 20 IKED CC(C)[C@H]1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)CC1 1822104749 RUQYICLFTRBJEP-TXTKFYIRSA-N 447.583 5.050 30 20 IKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC(C)C)cc2)CC1 1824961159 JJIMSHWWALLJEQ-XMMPIXPASA-N 442.669 5.038 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)CC1 1829904356 USFUPVGXRXOTHU-OXJNMPFZSA-N 437.411 5.439 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2OCC)CC1 1829925546 QWTZBMHRZZOAPN-ISKFKSNPSA-N 438.612 5.087 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncccc2-c2ccccc2)CC1 1831369172 CDLVJQAWWAFKOS-PXDATVDWSA-N 445.607 5.194 30 20 IKED Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832633005 AZAOYLCPQLUXLM-HFZDXXHNSA-N 443.591 5.169 30 20 IKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccccc2Br)[n+]2ccccc2)c1 20834575 AQQJTLFZFRLXMQ-UHFFFAOYSA-O 440.386 5.404 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccccc2Cl)cc1 22730377 MUVASRSEVWRCJG-UHFFFAOYSA-O 431.915 5.519 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(F)cc3)n2)nc2sc(C)c(C)c2c1=O 25719234 GMVNYBOHPLLQPU-UHFFFAOYSA-N 427.526 5.347 30 20 IKED C=CCN(Cc1ccc(OC)cc1)Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 58908917 VCLXMWIJUCVQNY-UHFFFAOYSA-N 425.529 5.164 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)o1 71947396 NKGCWWOSJPRGEI-UHFFFAOYSA-N 448.529 5.126 30 20 IKED CCC(C)(C)OCc1cccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1C 428762980 UVNRJSKOSOVFTB-UHFFFAOYSA-N 436.600 5.168 30 20 IKED CC(C)(c1ccc(NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1)C(F)(F)F 429687991 AJYXIBVGSQRPKN-UHFFFAOYSA-N 436.318 5.875 30 20 IKED Cc1c(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)sc2nc(C(F)(F)F)ccc12 436328896 AKCXUYDURUWUMZ-SJORKVTESA-N 429.467 5.536 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 436350896 ASYWYCHZHMDBIJ-LEWJYISDSA-N 435.524 5.082 30 20 IKED Cc1nc(CSc2ccc(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)cc2)cs1 443884677 YKJHGKDHTOFAAO-UHFFFAOYSA-N 433.480 5.887 30 20 IKED Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)COc1ccccc1C#N 460335513 ZJANZMWYGCIDLW-UHFFFAOYSA-N 442.494 5.621 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)Nc3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)s2)cc1 462837181 POZJMCHDBKBATF-ZDUSSCGKSA-N 445.504 5.628 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2nnc(-c3ccccc3)s2)cc1 470807853 IWAYLWRWUUWHKE-UHFFFAOYSA-N 442.569 5.299 30 20 IKED Cc1nc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)oc1-c1ccc(Cl)cc1 473823435 RXAMECKGOIVNLK-AWEZNQCLSA-N 440.956 6.019 30 20 IKED Cc1nc(C(C)(C)C)nc(O)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 474484808 AZSNTKCGQIDXRN-SFHVURJKSA-N 434.927 5.349 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 474905554 KSTCKPKUWJUDDK-HSZRJFAPSA-N 426.495 5.148 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 476108778 KXXBRQJDEKDOPE-GOSISDBHSA-N 444.535 6.267 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1)C(C)C 479626557 NBQKERXOVPMYSP-UHFFFAOYSA-N 443.572 5.719 30 20 IKED Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)o1 480288808 IHBPJKQCNBMKME-UZUQRXQVSA-N 442.519 5.717 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)cc1 481120093 VOOFDLBZQQIARM-UHFFFAOYSA-N 449.514 5.040 30 20 IKED N#CC[C@H](CC(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1Cl)c1ccccc1 483167308 ILXWXYSWSAGJBI-GOSISDBHSA-N 433.943 5.351 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ccc(Br)s2)n1)c1cnc2ccccc2n1 483191188 DIHRUNXOTKTOMC-JTQLQIEISA-N 441.335 5.067 30 20 IKED COC(=O)c1ccoc1CSc1ccccc1C(=O)[C@H](C#N)c1nccc2ccccc12 483203437 RENJHMQMQUIUSY-HXUWFJFHSA-N 442.496 5.397 30 20 IKED N#Cc1ccc(N2CCC[C@@H](Sc3nnc(-c4cccc5ccccc45)o3)C2=O)cc1 484546057 WJLAIRWTPRBJGE-OAQYLSRUSA-N 426.501 5.049 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc3ccccc3n2CC(F)(F)F)c1C 485531091 KRVIMJBABPEPQT-UHFFFAOYSA-N 437.425 5.130 30 20 IKED Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C 490104927 KNSOERDWPNNZOD-DEOSSOPVSA-N 427.504 5.161 30 20 IKED C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1ccncc1F 496309672 LGGOTLFOVMZVMW-LLVKDONJSA-N 449.433 5.041 30 20 IKED Cc1ccc(C(=O)N[C@H](C#N)c2cccc(Br)c2)cc1NC(=O)c1ccccc1 496339774 KSHFNDRYSOCNEW-OAQYLSRUSA-N 448.320 5.005 30 20 IKED C[C@@](Cc1cccc(Br)c1)(NCCCC1(C#N)CCOCC1)c1ccccc1 499607038 QHIIPGHWNWKSNF-QHCPKHFHSA-N 441.413 5.597 30 20 IKED CC(C)n1ncc2c(C(=O)N[C@H](C#N)c3ccccc3Cl)cc(-c3ccccc3)nc21 499966948 DMWHNRBTFMKKJU-JOCHJYFZSA-N 429.911 5.327 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](c2ccccc2F)C1 504059528 UTFUJFSPRNMFFK-NRFANRHFSA-N 429.495 5.606 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)o1 505591874 DLMPYAMXYZMKEO-IEBWSBKVSA-N 426.394 5.035 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 507843792 ZMRRADGEHXDRSG-CQSZACIVSA-N 439.874 5.591 30 20 IKED COc1ccc([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1F 510006613 TZPLTXLSTJYKNJ-QRWLVFNGSA-N 437.902 6.026 30 20 IKED C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510007196 SXAOFRODXQJSQD-QVKFZJNVSA-N 439.893 6.499 30 20 IKED N#CCSc1cccc(C(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)c1 511047746 NCXUHAPMPGMDOV-GOSISDBHSA-N 438.597 5.218 30 20 IKED Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(OCc2ccccc2)c1 511506666 QAHKJMSIDOTENM-UHFFFAOYSA-N 442.563 5.041 30 20 IKED N#C[C@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccccc2Cl)CCC3)CCO1 520684595 WBSLPRIGOQSBHI-ZSFFSCSXSA-N 443.934 5.130 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(NCCc4ccccc4)cc3)cc2)nc1 521180189 NOASRDNBUCSVHI-UHFFFAOYSA-N 434.499 5.652 30 20 IKED CN(Cc1ccccc1)c1ccccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 521960966 QMLKVLFBNYBYKS-UHFFFAOYSA-N 434.499 5.634 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N3CCC[C@@H](C(=O)c4ccc(F)cc4)C3)c2)cc1 523405869 YWTHOUFGOVAURS-OAQYLSRUSA-N 427.479 5.176 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)c1 523502563 BRFTUJADOWDVDZ-JOCHJYFZSA-N 434.879 5.424 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2c[nH]c3ccc(Cl)cc23)cc1 523508396 ZSVDNUKTYFEZBB-UHFFFAOYSA-N 429.907 5.648 30 20 IKED COc1ccc(CCN(CC(C)(C)C)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 523787688 PZRNURJFWFFJTE-IBGZPJMESA-N 439.625 6.212 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 525002477 RTNOGLWEXAQNJT-UHFFFAOYSA-N 441.457 5.453 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)[C@H](C)Oc2ccccc2C#N)nc1-c1ccccc1 525329844 FDIZICLSHVEVQY-RXVVDRJESA-N 429.520 5.468 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(OCC2CCCCC2)CC1 525733558 ABTHSERUXJJMJY-UHFFFAOYSA-N 447.579 6.252 30 20 IKED Cc1cc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)ccc1NC(=O)c1cccs1 534677194 NSQQVCJCJXDKEZ-KRWDZBQOSA-N 444.343 5.610 30 20 IKED Cc1cc(C)cc(-n2c(SCCCC3(C#N)CCOCC3)nc3ccccc3c2=O)c1 537467400 NLMKFCYURKHUES-UHFFFAOYSA-N 433.577 5.195 30 20 IKED C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1ccc(C2(C#N)CC2)cc1 539636433 SEFRVVCOXQXLBW-IAGOWNOFSA-N 435.955 5.551 30 20 IKED C=CCC[C@H](N[C@H](C)c1cccc(NS(C)(=O)=O)c1)c1ccc(C(F)(F)F)cc1 540148855 HFDCBZBRUKITPS-QRWLVFNGSA-N 426.504 5.435 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CC=C(c4ccccc4F)C3)cc2F)c1 542954147 ASEGBHDTVCCTIW-UHFFFAOYSA-N 431.442 5.347 30 20 IKED COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 544232839 DCLIXMYEEUXCKK-UIOOFZCWSA-N 439.559 6.259 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 553104502 CJYJJBWUFQPPOT-UHFFFAOYSA-N 447.539 5.404 30 20 IKED Cn1c(Cc2cccs2)nc2cc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)ccc21 553987197 LHASKHJKQRLKGU-MRXNPFEDSA-N 428.542 5.325 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)C1(c2ccc(C#N)cc2)CC1 556590109 YSQCJXZMUSZTOY-UHFFFAOYSA-N 426.360 5.286 30 20 IKED Cc1c(C#N)c(NC(=O)CCN2CC[C@H]2c2ccc(Cl)cc2)n(Cc2ccco2)c1C 556829931 NOZRELBIAUDWCH-QFIPXVFZSA-N 436.943 5.047 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N(Cc1ccccc1)c1ccccc1C#N 558371423 FZTSIMHNHLHMGG-MRXNPFEDSA-N 440.469 5.271 30 20 IKED N#Cc1cccc(COc2cccc(CN[C@@H](c3cncc(Br)c3)C3CC3)c2)c1 566517555 QKNFNJTVXLDHCB-XMMPIXPASA-N 448.364 5.536 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3F)s2)nnc1-c1ccccc1F 575190218 KCBWELKQWSXIBX-ZDUSSCGKSA-N 441.532 5.781 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)N[C@H]1CCc2ccc(C#N)cc21 584559375 MYWYFRLSMHWYGQ-XCLFUZPHSA-N 438.394 6.091 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)Nc3ccc(F)cc3OC3CCOCC3)cn2)c1 588235668 KJFQDGGCJOPILH-UHFFFAOYSA-N 448.454 5.086 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c12 592973960 LKUBSKHSMDBLCX-MRXNPFEDSA-N 447.539 5.611 30 20 IKED COc1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1Br 603601323 NYAYGDZHTHAXQW-UHFFFAOYSA-N 438.281 5.077 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 603734068 MTMQOGYTZDUQDT-UHFFFAOYSA-N 427.460 5.173 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CCc2ccccc2Br)cc1 604005204 SZEBIHDGOJKQBJ-UHFFFAOYSA-N 449.348 5.665 30 20 IKED Cc1ccc(Cl)c(S(=O)(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1Cl 604024266 VVYJRCPXHLFQNC-UHFFFAOYSA-N 438.361 5.022 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@@H]3c3cccc(F)c3)c2)c1 604085397 DRQBERMKLQHSOD-HSZRJFAPSA-N 428.467 5.319 30 20 IKED N#C[C@H](C(=O)c1coc(-c2ccccc2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 606753785 NBXHWIXSBGZDCV-OAHLLOKOSA-N 440.311 6.262 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1nc(-c2ccccc2)cs1 606754277 QZHJHPPBXCLXHD-KRWDZBQOSA-N 438.434 5.505 30 20 IKED N#CCn1c(C(=O)Nc2nc(-c3sccc3Br)cs2)cc2ccccc21 609216262 HCBIFQAMWRYOOS-UHFFFAOYSA-N 443.351 5.365 30 20 IKED COc1ccc2oc([C@H](C)NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)c(C)c2c1 609299697 GEXVQNVYFZRDOQ-INIZCTEOSA-N 430.460 5.285 30 20 IKED Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)s1 609322351 AREMEEWCKLFKDV-OAHLLOKOSA-N 438.528 5.575 30 20 IKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccccc1SC[C@@H](C)C#N 609376452 CDHKNTHLRDDPIE-INIZCTEOSA-N 443.576 5.322 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(c2ccc(F)c(F)c2)CC1 609385437 IJMXWCXHJLNKKU-INIZCTEOSA-N 429.536 5.177 30 20 IKED Cc1nc(NC(=O)[C@@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)sc1C 609387232 UGLNKZBDAVDIGY-LLVKDONJSA-N 428.505 5.224 30 20 IKED COC(=O)C[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1cccs1 609722823 KMHXLROKXRKTMV-GOSISDBHSA-N 440.908 5.100 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)c1ccc(C#N)cc1 610051665 RLBMXKVQDSNTLT-LBPRGKRZSA-N 426.339 5.244 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)c1C 610053953 BQBPVYSSOICYIM-CQSZACIVSA-N 426.442 5.197 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)c1cccc(CC#N)c1 610156242 NUNKLHKZHWWFQS-UHFFFAOYSA-N 426.495 6.050 30 20 IKED CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1 610172367 VQNYBOKLTFIKKG-UHFFFAOYSA-N 449.963 5.886 30 20 IKED COCCN(C(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C)c1ccc(C#N)cc1 610209163 JRCWVYGOUMWCLX-UHFFFAOYSA-N 445.466 5.302 30 20 IKED C[C@@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccc(Br)s1 610290578 BSVRNBJMSBMDKI-GFCCVEGCSA-N 428.311 5.312 30 20 IKED CC(=O)Nc1ccccc1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 610320941 NOVQCVASOPMVOV-OAQYLSRUSA-N 432.911 5.276 30 20 IKED COc1cc(CN(C)C(=O)N[C@@H](C)c2cccc(C#N)c2)ccc1OCc1ccccc1 610355522 TWUPIVYWAQDRAY-IBGZPJMESA-N 429.520 5.048 30 20 IKED CN(Cc1ccco1)Cc1ccccc1CNC(=O)c1c(Cl)cc(C#N)cc1Cl 611094540 MXZAEZPTNKBHBZ-UHFFFAOYSA-N 428.319 5.020 30 20 IKED Cc1cc(C#N)ccc1CN1CCC(c2nc(-c3ccccc3Br)no2)CC1 617081548 GAHZPDWPGUVRPQ-UHFFFAOYSA-N 437.341 5.059 30 20 IKED CC[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1OC(F)F 618554277 JIVPUNDDGZTOBL-NTZNESFSSA-N 448.354 5.511 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)N[C@@H]2CCc3cc(C#N)ccc32)nc1-c1ccccc1 618845817 HRBXILOIOKWKAU-DHIUTWEWSA-N 440.547 5.871 30 20 IKED C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccccc1 619818688 JSQSEXYBKZDRBG-KOSHJBKYSA-N 435.959 5.250 30 20 IKED O=C(N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1)C1(C(F)F)CCCC1 622517843 PWIKDPRCBSBFSY-CQSZACIVSA-N 445.350 5.450 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1SCc1coc(-c2ccc(Cl)cc2)n1 677814033 HSBQUKXOSUEKJH-UHFFFAOYSA-N 444.004 5.093 30 20 IKED CN(Cc1cc(Cl)ccc1F)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 683414181 GQILQZAUPPLZGM-GHMZBOCLSA-N 434.783 5.530 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(N3CCCCC3)c2)cc1 726075158 HLRSKCNAFUPMJG-UHFFFAOYSA-N 442.538 5.922 30 20 IKED CC(=O)N(c1nc(C=NNc2ccc(OC(F)F)cc2)cs1)c1ccc(F)cc1F 726430289 XMSYXTTVPIHSPG-UHFFFAOYSA-N 438.406 5.153 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc4c(c3)OCO4)n2)cc1 726733446 YRGGBQJINJXGIF-KBXCAEBGSA-N 447.516 5.013 30 20 IKED CCN(C[C@@H](C)C#N)Cn1nc(-c2ccc(OC)cc2)n(-c2ccc(Cl)cc2)c1=S 726964290 YYQHJKZPDFQSRA-INIZCTEOSA-N 441.988 5.171 30 20 IKED COc1ccc(CCNC(=S)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 730954714 IMDYQRCFLBPCNU-UHFFFAOYSA-N 439.528 5.249 30 20 IKED CN(C)C(=O)Sc1ccccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 731416435 LQXJMVJYRRYNET-UHFFFAOYSA-N 435.480 5.516 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(SC(=O)N(C)C)cc2)cc1C 731437074 FNNJMMXZPSUWAL-UHFFFAOYSA-N 447.564 5.107 30 20 IKED CC(CCCOc1ccccc1C(N)=O)=NNc1ncnc2sc(-c3ccccc3)cc12 731924624 LDCAQTDCGXEWBN-UHFFFAOYSA-N 445.548 5.104 30 20 IKED Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(F)c1 732377351 JQNVASIPQFCWQU-QGZVFWFLSA-N 432.451 5.177 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)[C@H](O)c1ccc(F)cc1 732426953 OSRINIAHIKYQEH-PEBXRYMYSA-N 439.874 5.387 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(C)Cc2c(Cl)cccc2Cl)ccc1OC 733653943 NDDBUTHSSIQVKW-HNNXBMFYSA-N 436.339 5.025 30 20 IKED Cc1nn(C)c(C)c1C(=NNc1ncnc2scc(-c3ccc(F)cc3)c12)C(F)(F)F 733907958 YIUDUENTVUKYFC-UHFFFAOYSA-N 448.449 5.226 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1 734079412 OZHCNNPGKIICGK-HXUWFJFHSA-N 447.922 5.613 30 20 IKED Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cccc(COc3cccc(C#N)c3)c2)c(C)c1 734593180 PTUJVRUMUGLUEN-FQEVSTJZSA-N 442.515 5.247 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)cc1 741178487 HRCLQKSBZWDCQG-BHIFYINESA-N 436.433 5.983 30 20 IKED Cc1ccc(N(C)C(C)C)c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 741516848 LXHRKVIGFXFMMP-UHFFFAOYSA-N 437.594 5.107 30 20 IKED C=CCn1c(SCc2nnc(-c3cccc(F)c3)o2)nnc1-c1ccc(C(C)(C)C)cc1 741850245 IFHYAOPLLJYGJV-UHFFFAOYSA-N 449.555 5.910 30 20 IKED O=C(O)COc1ccc(/C=C2/Cc3c(ccc(Cl)c3Cl)C2=O)cc1Br 742435314 VQCQMYHCVNFUSP-YHYXMXQVSA-N 442.092 5.042 30 20 IKED CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 742961685 MPUWYSCJQUYNQH-MJGOQNOKSA-N 439.487 5.122 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 743146709 MNDSLKSXCIFBQF-KURKYZTESA-N 446.617 5.286 30 20 IKED Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 744035404 RJLZIUKKKMSZOP-TZIWHRDSSA-N 449.963 5.139 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)CCc1c[nH]c2cc(C)ccc12 745977804 ZRAKPGZEDCJLKC-UHFFFAOYSA-N 427.298 5.047 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2csc(-c3ccccn3)n2)cc1 751141668 IJRFZVIMYICXHT-UHFFFAOYSA-N 428.473 5.130 30 20 IKED Cc1nccn1-c1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)cc1 751517022 HYRNSFIJYWPHIO-ZROIWOOFSA-N 441.918 5.983 30 20 IKED Cc1ccc(C)c(-c2nn(CN3CCC[C@H]3[C@@H](C#N)c3ccccc3)c(=O)c3ccccc23)c1 751933471 VUMVTMBVXZEMOH-SVBPBHIXSA-N 448.570 5.410 30 20 IKED C[C@@H]1CCN(CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)c2cc(Cl)ccc2S1 754666253 MPWRWYIPZHBGGN-PBHICJAKSA-N 434.952 5.268 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(F)(F)c1c(F)cccc1F 756923361 CWBKUURPTXBLEO-BRPSZJMVSA-N 425.266 5.082 30 20 IKED C#CCOc1ccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)cc1 758603429 DPBXVKYYPKZOCI-UHFFFAOYSA-N 439.437 5.347 30 20 IKED C=CCC[C@H](NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)c1ccc(C(F)(F)F)cc1 761743431 OJJHCQMQCMLLLT-VXKWHMMOSA-N 443.469 5.367 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C\C(=O)c1cc(Br)ncc1F 762422856 AWPPFEMINDRFRY-FPLPWBNLSA-N 448.723 5.394 30 20 IKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C)cc2C)=C(/O)c2ccc(C#N)cc2)cc1 762440281 VZZDCKOSKXYKGJ-UHFFFAOYSA-O 428.581 5.738 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)c1 762763935 QYVNZZYUJSPQFM-JMJGKCIBSA-N 427.589 5.025 30 20 IKED N#Cc1ccc(NC(=S)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)cc1Cl 763139176 NQTUKRLUVSKCDZ-UHFFFAOYSA-N 444.951 5.327 30 20 IKED Cc1cc(Br)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 766843089 UUAVINXEMMOOIX-CYBMUJFWSA-N 426.097 5.026 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O 769785574 KXCQWQWBXLMXTK-CQSZACIVSA-N 427.526 5.243 30 20 IKED CC(C)=CCOc1ccc(CCC(C)=NNc2nc(O)c3cnn(C(C)(C)C)c3n2)cc1 769811072 ZHURSHOIKMUTOP-UHFFFAOYSA-N 436.560 5.053 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cccn1[C@H](C)Cc1ccccc1 773772043 UZXROIXSTBPCJU-AUSIDOKSSA-N 427.548 5.378 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN(CC(C)C)[C@H]2CCCc3cccnc32)c1=S 774615361 VYAJALREKHLWMT-NRFANRHFSA-N 434.613 5.050 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2cc3cc(Br)ccc3o2)ccc1OC 776164713 JRZTUCFMMNCCSV-KSSFIOAISA-N 443.341 5.736 30 20 IKED C[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(Oc2ccccc2)c(F)c1 777119141 ZARKBXMCXDLSMF-GOSISDBHSA-N 431.511 5.624 30 20 IKED CC(=O)Nc1cc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(F)cc1F 782564764 DKEVMLFPJNPNGQ-CQSZACIVSA-N 434.446 5.345 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(Br)n2)cc1 786132463 SZWMGQKAUPVLPG-UHFFFAOYSA-N 439.288 5.089 30 20 IKED Cc1ccnc2sc(C(=O)[C@H](C#N)C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)c(C)c12 786514051 TUSONVZLRCFMCX-DOMZBBRYSA-N 446.359 5.420 30 20 IKED CCCn1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc2ccccc21 786928523 DELVMZRMKQBGIF-QGZVFWFLSA-N 427.476 5.327 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 789722191 SKHBHHUREQCDSL-UHFFFAOYSA-N 449.016 5.475 30 20 IKED C=CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccsc1 790747391 DDBXYXZYNCKXMK-IBGZPJMESA-N 443.594 5.073 30 20 IKED N#C[C@@H](C(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1)c1nccc2ccccc12 792095226 VGOPMNSMYCACAZ-CJFMBICVSA-N 430.479 6.223 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1sc(SC(F)F)nc1C 793038442 QIWQOPKDEBBOAK-UHFFFAOYSA-N 446.504 5.315 30 20 IKED CC(=NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1nc(C(F)(F)F)cs1 794982459 XAVSTGWTSWWQAV-UHFFFAOYSA-N 431.365 5.474 30 20 IKED CC(C)(C)c1cnc(CCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)o1 805854937 ADGNRSHJCXYBQI-GOSISDBHSA-N 431.492 5.045 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cc(C(F)(F)F)ccc1Br 806507594 SDVOYNUPLCWFFB-JTQLQIEISA-N 428.208 5.403 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(CCCCF)C2=O)c1 812221163 GPJSPZWPGSJXPM-FQEVSTJZSA-N 445.535 5.153 30 20 IKED N#Cc1cc(-c2nc(-c3ccc(-n4cnc5ccccc54)cc3)no2)cnc1C(F)(F)F 815671663 KZJDVHDRTZYKRL-UHFFFAOYSA-N 432.365 5.028 30 20 IKED C=CCN(C(=O)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)o1)C1CC1 815935119 UYGSRQVVLAQDQU-UHFFFAOYSA-N 442.515 5.109 30 20 IKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3ccc(Cl)nn3)c2C#N)C1 913611170 IBBBOUWDKBZXLF-GFCCVEGCSA-N 435.018 5.335 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3SCc3cc(C)no3)n2)cc1 915100479 RVJYFMMSQTZNKM-HXUWFJFHSA-N 445.569 6.197 30 20 IKED CC(C)(C)OC(=O)N1CCC(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1 915101029 AWHQNUKJXORGGP-QGZVFWFLSA-N 445.972 5.287 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCNC(=O)c3ccc(Cl)cc3)n2)cc1 915102279 VDVLIDIPYDMRAH-IBGZPJMESA-N 437.952 5.158 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 916449751 KXSPYYSMQHAQDX-UHFFFAOYSA-N 436.471 5.148 30 20 IKED Cc1ccc(C(C)C)c(O[C@H](C)C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1 916847728 UQAKSDIJAOBHFQ-QAPCUYQASA-N 449.576 5.351 30 20 IKED N#C[C@@H](C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)C(=O)NC1CCCCC1 916895959 YGUNXGSHOJDBFB-QFIPXVFZSA-N 431.511 5.064 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)c1 916898209 YDICBWXSCZFVIV-QGZVFWFLSA-N 448.935 5.318 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCc3nc(-c4ccc(F)cc4)no3)n2)cc1 916974389 JYHOUINREHUCKI-LJQANCHMSA-N 446.507 5.507 30 20 IKED COc1ccc(C)cc1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996716 OQVQNOXVQRWFAD-MRXNPFEDSA-N 431.344 5.853 30 20 IKED N#C[C@H](C(=O)Cn1c(SC(F)F)nc2ccccc21)c1nc(-c2ccccc2)cs1 917026069 WFGCEFFEZTUXFW-CQSZACIVSA-N 440.500 5.351 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cccc(Br)c2)cs1 917557640 DJLRVSZZZKFUBU-JXMROGBWSA-N 445.313 5.625 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccccc2C(F)(F)F)cs1 917561858 PNYHPQCVRFOVJK-XFXZXTDPSA-N 430.451 6.051 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(C3SCCCS3)cc2)cc1 919867627 DYYWJEZMDIUCCF-UHFFFAOYSA-N 438.618 5.622 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 920106445 ZGBBIZCCKRRHBS-OAQYLSRUSA-N 436.471 5.326 30 20 IKED C[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccc(C(F)(F)F)cc1 920140724 BFUHKKCFKDFFHW-IFXJQAMLSA-N 439.462 6.071 30 20 IKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920804480 RLQFTZPZSWQWNA-LAUBAEHRSA-N 449.482 5.229 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4ccccc4o3)CCC2)cc1 1786366249 VEVHNRREFDAHKU-UHFFFAOYSA-N 432.520 5.163 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4c(C(C)C)nn5ccccc45)cc3)CCC2)C1 1788394552 FPWXEVZEIZHNKN-UHFFFAOYSA-N 442.563 5.172 30 20 IKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2)CCC1 1789905374 VCFXYJQYMAWJEX-SNVBAGLBSA-N 429.394 5.121 30 20 IKED N#CCC(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)CCC1 1790672747 ZFPADGHBYHPHTL-UHFFFAOYSA-N 435.833 5.020 30 20 IKED C[C@H]1CC[C@H](C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)CC1 1790708039 APBSRBGGEBUCJW-XYWHTSSQSA-N 429.564 5.327 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3ccccc3OC)cc2)CCC1 1791354250 CFHZUNADGFCVDL-HSZRJFAPSA-N 432.564 5.140 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc[nH]c4cc3F)CCC2)cc1 1791730450 JKEBNVTXNKGTDU-UHFFFAOYSA-N 431.511 5.248 30 20 IKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ccccc23)[nH]n1 1821986341 FUPISPKCFRCRCC-FQEVSTJZSA-N 438.478 5.080 30 20 IKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2C)[nH]n1 1822392802 DUNDVIYZHXCCGJ-IBGZPJMESA-N 447.366 5.134 30 20 IKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)CCC3CCCC3)CC2)cc1 1826264091 BAUCDQKJAIRFNY-AREMUKBSSA-N 449.639 5.081 30 20 IKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CC3CCCC3)CC2)c(Cl)c1 1826264882 XJDDVTJYOJRREF-HSZRJFAPSA-N 442.003 5.025 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1 1831372709 HVMZWYLXRIRFMI-GNIFDWQUSA-N 428.661 5.425 30 20 IKED CC(C)C1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)CCC1 1832635334 AMKZFKJETCGFNL-BWKNWUBXSA-N 449.639 5.373 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1ccc(Cl)cc1 10831904 HMHTYAWEJWERJP-UHFFFAOYSA-O 436.409 5.956 30 20 IKED O=C(/C(=C(/S)Nc1cccc(C(F)(F)F)c1)[n+]1ccccc1)c1ccc(F)cc1F 11128876 GBZBYVSTHREZTJ-UHFFFAOYSA-O 437.413 5.322 30 20 IKED Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc(CC#N)cc3)[C@H]2c2cccs2)cc1 26384194 FGKHFYRGKXJMHP-QPPBQGQZSA-N 429.545 5.246 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)nnc1-c1ccco1 29548583 UBTUCGLSFRFYQO-SFHVURJKSA-N 444.560 5.111 30 20 IKED N#CCSCC(=O)Nc1cc(Cl)ccc1Oc1ccc(C(=O)c2ccccc2)cc1 33154079 UFUOXYWVAPOGPF-UHFFFAOYSA-N 436.920 5.559 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccoc1C 36802885 UGSVSRCOBZAYJZ-GFCCVEGCSA-N 437.352 5.459 30 20 IKED N#Cc1ccccc1N1CCCN(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)CC1 58545772 AUUQYTDATYHFEK-UHFFFAOYSA-N 444.510 5.021 30 20 IKED C=C(C)COc1cc(CNCc2cn(-c3ccccc3)nc2-c2ccncc2)ccc1OC 60970985 DWOKOSLWLBLVIL-UHFFFAOYSA-N 440.547 5.188 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)CCCCc2ccc(Br)cc2)cc1 108068027 DVEOGLDYQVBJBJ-UHFFFAOYSA-N 430.346 5.108 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N2CCC(c3c[nH]c4ccc(OC)cc34)CC2)cc1OC 210407176 GESXYNNBBRSCEX-POHAHGRESA-N 446.547 5.169 30 20 IKED COc1cc(OC)c(NC(=O)CSc2nc(-c3ccccc3)ccc2C#N)cc1Cl 261526675 GMWTUMSDWHKOQC-UHFFFAOYSA-N 439.924 5.022 30 20 IKED N#Cc1cc2c(nc1SCC(=O)N1CCc3sccc3[C@@H]1c1ccccc1)CCCC2 302956764 LGNSLJJHZPQXFW-DEOSSOPVSA-N 445.613 5.160 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Oc1ccc(F)cc1Cl 303545187 UUVZXBHOUZFUCD-AWEZNQCLSA-N 425.847 5.253 30 20 IKED N#CCSc1cccc(C(=O)N2CCCc3c(NC(=O)CC4CCCCC4)cccc32)c1 430929500 XKSXZIOEVHOMCW-UHFFFAOYSA-N 447.604 5.804 30 20 IKED N#CCCn1cc(CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2ccncc2)n1 433331523 NBOASGJEWANWAK-UHFFFAOYSA-N 439.363 5.508 30 20 IKED CCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H](Cc1ccc(F)cc1)C(C)C 437114384 DFJPBMZHFUHRAZ-XMMPIXPASA-N 431.511 5.614 30 20 IKED COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 437967109 YNXJSPRCKWZLIH-XNMGPUDCSA-N 441.531 5.306 30 20 IKED COc1cccc(F)c1[C@H](C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 437967999 BOMYEJUNEJRHFX-KRWDZBQOSA-N 433.483 5.476 30 20 IKED N#CCC[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccccc1 439673673 NNEFXUZGJVKPDN-GHTZIAJQSA-N 444.362 5.007 30 20 IKED CCCc1c(NC(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)cnn1-c1cccc(C#N)c1 439676288 WTLJJTUNOKVMQW-IBGZPJMESA-N 442.567 5.179 30 20 IKED N#Cc1ccc(Cl)c(NC(=O)C(=O)Nc2cccc(CSC3CCCCC3)c2)c1 440905361 PRVOMEMLHOKAPW-UHFFFAOYSA-N 427.957 5.355 30 20 IKED Cn1c(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc2cc(C(F)(F)F)ccc21 442678579 JPSNJZHHUHHQLM-MRXNPFEDSA-N 425.435 5.811 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(CCC(C#N)(c3ccccc3)c3ccccc3)CC2)c1 444659057 OZZYECBBJFYRPU-UHFFFAOYSA-N 448.570 5.109 30 20 IKED Cc1nc(Sc2nnc(COc3ccccc3Cl)n2C2CC2)c(Cl)cc1C#N 461723332 YWHAXFARBVCVFU-UHFFFAOYSA-N 432.336 5.225 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(c2ccc(F)cc2)C2CCCC2)CC1 465484248 CXLXDDKOZLGQSJ-UHFFFAOYSA-N 448.498 5.138 30 20 IKED N#CCCCn1cc(C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)c2ccccc21 468793369 BTGXCCFKVDOSQJ-UHFFFAOYSA-N 435.955 5.077 30 20 IKED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)Nc2cc(-c3ccccc3)ccc2Cl)c1 471432152 IHNVCAYMCFCMON-HSZRJFAPSA-N 429.907 5.008 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1cc2ccccc2o1 472746904 GEZGQPNWXDSBDB-UHFFFAOYSA-N 425.488 5.856 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ncccc3Br)cc2Cl)cc1 475020240 WNADXELSZKKFIN-UHFFFAOYSA-N 428.673 5.414 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)Nc1ccccc1S[C@H](C)CC#N 477528027 HVRKYANUICFGIQ-OLZOCXBDSA-N 439.507 5.339 30 20 IKED Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 480051205 MWJIURPNWLNNJJ-UHFFFAOYSA-N 428.492 5.291 30 20 IKED Cc1ccc([C@H]2COCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)o1 480354089 GTBQJHFAXOFDSI-IFMALSPDSA-N 435.911 5.502 30 20 IKED Cc1ccccc1NC(=O)Cc1noc(-c2ccc(Sc3ccccc3C#N)cc2)n1 481078747 WMQCIFHCBCRYIR-UHFFFAOYSA-N 426.501 5.249 30 20 IKED CCc1nnc(-c2ccc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)cc2)o1 482485187 UMUKBDLOYPXLAU-UHFFFAOYSA-N 444.878 5.869 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 482593730 BVTOPOUORIMBGZ-UHFFFAOYSA-N 429.973 5.311 30 20 IKED CCc1c(NC(=O)c2ccc(COc3ccccc3C#N)o2)cnn1-c1cccc(Cl)c1 482704761 JYOZMPAEKZTFBW-UHFFFAOYSA-N 446.894 5.384 30 20 IKED CCOc1ccc(-n2c(SCc3ccc(F)cc3C#N)nnc2-c2cccnc2)cc1 483184397 RSKOQCRPIJABTG-UHFFFAOYSA-N 431.496 5.031 30 20 IKED CCN(C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C1 485445736 ZTKNNIFDWZNGEV-MRXNPFEDSA-N 446.473 5.175 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3csc(-c4cccc(OC)c4)n3)o2)cc1 489785310 YRQHEWCPMBMBPN-UHFFFAOYSA-N 437.546 5.726 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)N(C)[C@H](C)c3cc4ccccc4o3)o2)cc1 489794033 XWWNOMFQHZQVAS-MRXNPFEDSA-N 449.532 5.359 30 20 IKED CC[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1ccncc1 496351245 WCQGXWISPWKGRY-SFHVURJKSA-N 445.470 5.292 30 20 IKED Cc1cccc([C@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c2ccccn2)c1 498488487 IHKMMJXLWDDUHZ-QHCPKHFHSA-N 439.544 5.220 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 500017560 JOSYIPYQIYUVLL-UHFFFAOYSA-N 437.443 5.016 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 502098661 IYZQKZSEYPGMKT-OAHLLOKOSA-N 444.878 5.353 30 20 IKED CN(CC(C)(C)C)C(=O)c1cccc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c1 502404296 ISUKRNOGKRFJCK-UHFFFAOYSA-N 432.549 5.052 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(-c2noc(C)n2)c1 502649591 IROSHIMVGGAYSK-UHFFFAOYSA-N 445.292 5.167 30 20 IKED CCOC(=O)c1c([C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)nc2ccccc2c1C 505431805 AWPZFQOAOTWFBT-HNNXBMFYSA-N 442.302 5.273 30 20 IKED COc1ccc(C[C@@H](C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1OC 510317833 ZLQQOPCTXZHDEU-LJQANCHMSA-N 444.531 5.166 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCOc3c(Cl)cccc32)cc1 510606943 DLMDVYQPAKNACJ-HSZRJFAPSA-N 447.922 5.630 30 20 IKED Cc1ccc(OCCCCNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 511515869 WYLFTIKVZGSKOV-UHFFFAOYSA-N 442.519 5.100 30 20 IKED N#Cc1ccc(S(=O)(=O)N(Cc2ccc3ccccc3c2)C2CC2)c(C(F)(F)F)c1 511939190 OTAWNJCGZZFEJR-UHFFFAOYSA-N 430.451 5.084 30 20 IKED CC(C)c1nc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)nn1-c1ccccc1Cl 512982434 XXTABWZBMYLEMP-OAHLLOKOSA-N 448.939 5.053 30 20 IKED COc1ccccc1-c1csc(C2CCN(C(=O)NCC(C)(C)CCC#N)CC2)n1 513113167 KLQKUDKFTSXQAS-UHFFFAOYSA-N 426.586 5.038 30 20 IKED COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)[C@H](C#N)c2nc(C)cs2)c1 513676981 OGWAHUMMUHFWKU-FQEVSTJZSA-N 428.517 5.111 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2c2cccc(F)c2)cc1 515796423 RGBLRDQVVJIULE-VWLOTQADSA-N 429.495 5.840 30 20 IKED C[C@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)Nc1ccccc1C(F)(F)F 516824194 NSDDWTHDVUARSB-AWEZNQCLSA-N 426.398 5.203 30 20 IKED Cc1nc(NC(=O)Cc2cccc(OCc3ccccc3Cl)c2)sc1SCC#N 518494214 FCCUSVJGYXUYNS-UHFFFAOYSA-N 443.981 5.481 30 20 IKED CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 518905918 KWBZXIREAJDQKZ-UHFFFAOYSA-N 433.895 5.799 30 20 IKED CCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@H]1CCOC(C)(C)C1 520661935 KRMBVWZQJHYRPG-FPOVZHCZSA-N 425.960 5.807 30 20 IKED C=CCOc1ccccc1CNCc1cc(Br)cc(Br)c1OC 521174062 PMFUQRCZTPXSQI-UHFFFAOYSA-N 441.163 5.075 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 521726865 RMMKXUPVWVZVPP-AWEZNQCLSA-N 447.482 5.336 30 20 IKED C[C@H]1CCCCN1C[C@@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 522842433 WEYLKAQKWIFKQP-UNMCSNQZSA-N 432.568 5.469 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cccc(Oc4cnccn4)c3)c2)cc1 522952357 HBVSBSJBNJQRSJ-UHFFFAOYSA-N 436.471 5.166 30 20 IKED COc1ccc2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)c(C)nc2c1 524499360 VEIVHRVCTFCODN-UHFFFAOYSA-N 441.462 5.394 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl 525167005 IRVJBNQGRFVRDB-HNNXBMFYSA-N 444.000 6.361 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)cc1 531353851 HGCRNDZIWMVMBC-SFHVURJKSA-N 445.466 5.249 30 20 IKED Cc1ccc2c(C3=CCN(CC(=O)Nc4ccccc4SC[C@H](C)C#N)CC3)c[nH]c2c1 533487989 ZSTWIRUZKNHJSJ-LJQANCHMSA-N 444.604 5.456 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)[C@@H](C)c1ccccc1Br 533568207 QIYLLHJWJXFUKM-GJZGRUSLSA-N 432.387 5.926 30 20 IKED Cc1nnc(SCc2c(C(=O)N[C@@]3(C#N)CCC[C@@H](C)C3)oc3ccccc23)s1 536076228 SQJRIJSSQZKWNF-ASSNKEHSSA-N 426.567 5.087 30 20 IKED C[C@@H]1CN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c2ccccc2N(C)C1=O 536403709 RXMYIGKLLURHJO-MRXNPFEDSA-N 445.906 5.263 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 537050297 HVXBAOLDBOXPKN-ROUUACIJSA-N 448.592 5.113 30 20 IKED COCCOc1c(Cl)cc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1Cl 538032096 BEICMEAOTCSDAC-XLIONFOSSA-N 448.350 5.322 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2cc(Br)cc(Br)c2)n1 538039486 ZZJDRRQRUKLMCM-LBPRGKRZSA-N 428.149 5.282 30 20 IKED CC[C@@H](NC(=O)NCc1ccc(-c2ccccc2C#N)cc1)c1nc(C(F)(F)F)cs1 539166705 NVZNUGGIMMBQPY-GOSISDBHSA-N 444.482 5.651 30 20 IKED CC1(C)CC[C@H]2C[C@@H](NC(=O)C(=O)Nc3ccccc3SCCC#N)c3cccc1c32 539585128 SLFDUWFSFDQTCG-OXJNMPFZSA-N 433.577 5.047 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CC2CCC(C(F)(F)F)CC2)cc1 542163220 KPRCHCCDVCYUOM-UHFFFAOYSA-N 430.470 6.029 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2csc(-c3ccccn3)n2)cc1 542688413 GMHOGTCOVBXOOG-UHFFFAOYSA-N 443.507 5.450 30 20 IKED Fc1ccc(-c2cnc(CN[C@H](c3ccc(OC(F)(F)F)cc3)C(F)(F)F)o2)cc1 542947374 DYNGMZFHINAIGP-QGZVFWFLSA-N 434.311 5.773 30 20 IKED CCC(CC)C(=O)N1CCC(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 542981308 KUCAZPMYVKWHBS-LJQANCHMSA-N 446.595 5.013 30 20 IKED C[C@H](NC(=O)NCc1csc(-c2ccco2)n1)c1ccc(-c2cccc(C#N)c2)cc1 543009164 CAEYRYJMUGUBJI-INIZCTEOSA-N 428.517 5.502 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)cc1 543280367 NFGWOGZUQSEIBZ-YADARESESA-N 433.552 5.124 30 20 IKED C[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc([N+](=O)[O-])cc1F 544425907 AWIQTBUNHZBBBW-CQSZACIVSA-N 437.402 5.066 30 20 IKED C[C@H](CNC(=O)c1ccccc1)c1noc(-c2ccc(Sc3ccccc3C#N)cc2)n1 546469513 QJHPNZDPGQUDCR-QGZVFWFLSA-N 440.528 5.293 30 20 IKED N#CCCn1cc(/C=C/c2nc(-c3ccccc3Oc3ccccn3)no2)c2ccccc21 547072428 JAVFACUPLKGGKS-BUHFOSPRSA-N 433.471 5.963 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)CC2)c(F)c1 554050528 AYQDRVXAHWIJFS-UHFFFAOYSA-N 439.821 5.027 30 20 IKED N#Cc1cccc(-c2nnc(CN[C@@H](c3cccc(C(F)(F)F)c3)C3CCCCC3)o2)c1 555066188 MIOZDACUVOLUHX-JOCHJYFZSA-N 440.469 6.038 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 564419735 PCMCNCYHFTWHKP-BAGYTPMASA-N 434.609 5.067 30 20 IKED Cc1csc(NC(=O)c2cc(I)c(Cl)cc2Cl)c1C#N 577678309 PEVGRKABTJYCFX-UHFFFAOYSA-N 437.089 5.092 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3C[C@H](c4ccccc4)[C@@H]4CCCC[C@@H]43)CC2)c(F)c1 579150290 MKZGXYHSPCMELQ-ARNLJNQMSA-N 431.555 5.099 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cc(C(F)F)ccc2Cl)nnc1-c1ccco1 584224013 CEMLXYGQNYHFFO-UHFFFAOYSA-N 438.887 5.436 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2ccccc2OC)cc1 592337529 MCRISWCOPCHHPW-HSZRJFAPSA-N 433.552 5.269 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1NC(=O)c1ccccc1 592974235 PSSGIODCCRAENZ-GOSISDBHSA-N 429.476 5.486 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)cc1 594470196 WKGAUQDNDJRJKR-UHFFFAOYSA-N 436.943 5.127 30 20 IKED CC(C)c1ccc(-c2nc(C(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)cs2)cc1 603460336 XNOYTAXHDUUUBS-QHCPKHFHSA-N 448.567 5.095 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)cn2)c1 603627311 ZTOMYAUIYMXGCJ-UHFFFAOYSA-N 449.470 5.642 30 20 IKED Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3sc(-c4ccccc4)cc3C#N)C2)c1 603969850 ZDIVSDYXQDKZFZ-HXUWFJFHSA-N 443.572 5.395 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCCCc3ccccc3)cc2Cl)cc1 604137984 KTARNBCJOWVCBN-UHFFFAOYSA-N 447.922 5.082 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccccc3Oc3cccnc3)s2)cc1 604523255 PWHAPJYXXSGGKE-UHFFFAOYSA-N 445.529 5.142 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3nnc(-c4cccc(Cl)c4)s3)o2)cc1 609060509 CXCIKPWJTKGFAK-UHFFFAOYSA-N 436.880 5.154 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)COc2ccc3cc(Br)ccc3c2)c1 609066630 GEAJTEAJNYTAKY-UHFFFAOYSA-N 447.235 5.093 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 609377706 ZXNZSODZYWOFRS-HZPDHXFCSA-N 448.514 5.207 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc(Br)cc1 609378482 NROMRNBFVCWQQP-UHFFFAOYSA-N 443.288 5.655 30 20 IKED CC(C)(C)n1ncc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1C(F)(F)F 609429575 PNOLFGFWGCNSHE-UHFFFAOYSA-N 428.414 5.573 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(C)c(Oc2ccncc2)c1 609641985 KZWDMFSFSRTTCA-UHFFFAOYSA-N 436.471 5.802 30 20 IKED Cc1cn(-c2ccccc2)nc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 609724018 RXSZCRHUIIVOQE-UHFFFAOYSA-N 428.879 5.750 30 20 IKED N#Cc1ccc(-c2nnc(CSc3nc(-c4cccs4)c(-c4cccs4)[nH]3)o2)cc1 610216968 VANDTCGUCGREOT-UHFFFAOYSA-N 447.570 6.081 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c1C(F)F 610892240 DXIXLHCVVYIJBZ-UHFFFAOYSA-N 441.385 5.107 30 20 IKED Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(N[C@@H]3CCCc4cc(C#N)ccc43)cc2Cl)n1 611482539 ZCIJQYLQJIGKPP-UZUQRXQVSA-N 447.970 5.714 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)nc2sccc2c1=O 613439620 BSHAFCNEJLUSSS-JKSUJKDBSA-N 449.601 5.155 30 20 IKED O=C(c1sc2cc(F)ccc2c1Cl)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618295172 GCORWKHTYBOOLF-YUMQZZPRSA-N 433.776 5.897 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)nnc1-c1ccco1 623291612 PFEBOXMEAUXHSG-IAGOWNOFSA-N 432.549 5.235 30 20 IKED C=CCC[C@H](NC(=O)CCc1nc(O)c2ccccc2n1)c1ccc(C(F)(F)F)cc1 676730552 HPKVNAQNXACIOW-SFHVURJKSA-N 429.442 5.111 30 20 IKED C[C@H](Oc1ccccc1NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)C(F)(F)F 685096214 XBTNWQOWFUNWGO-LPEHRKFASA-N 438.290 5.221 30 20 IKED Cc1ccc(Cn2cc(C=Nn3cnnc3-c3ccccc3)c(-c3ccc(C)cc3)n2)cc1 725856486 SRDHPOOSKKOCHX-UHFFFAOYSA-N 432.531 5.356 30 20 IKED N#C[C@H](C(=O)CCc1ccc(OC(F)(F)F)cc1)C(=O)Nc1cccc2ccccc12 727628781 YPCUFUXUEFGBEG-LJQANCHMSA-N 426.394 5.019 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1ccc(F)cc1F 728061825 CDQHOXMEFIPHEB-AWEZNQCLSA-N 441.865 5.508 30 20 IKED C#Cc1cccc(N(Cc2ccccc2)C(=O)CCc2ncc(-c3ccc(OC)cc3)o2)c1 728248451 NEDWRIRGMMGAFA-UHFFFAOYSA-N 436.511 5.498 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)CC2)c(C)c1 728267126 CKVOAUKSMOFCPA-UHFFFAOYSA-N 439.559 5.318 30 20 IKED N#C[C@@H](NC(=O)/C=C\c1ccc(Br)o1)c1ccc(OCc2ccccc2)cc1 729370918 ZZIBRJBWUGKPIH-DDNJPHGJSA-N 437.293 5.015 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1F 730689262 CVULXYFVDVSFQZ-ZDUSSCGKSA-N 445.903 5.926 30 20 IKED COc1ccccc1-c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)no1 730996732 YZZFNHMIJZQCSF-UHFFFAOYSA-N 447.438 5.627 30 20 IKED Cc1c(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)sc2cccc(F)c12 731070732 QOPINBQZMQAKPB-ZDUSSCGKSA-N 442.537 5.396 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cc1cc(Cl)ccc1Cl 731076799 DHNYXCONMDOWIA-CYBMUJFWSA-N 437.348 5.112 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC([C@H](O)c4ccccc4)CC3)cc2)cc1 732265576 AWUGUXAKIFXDLT-AREMUKBSSA-N 426.516 5.131 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)[C@H](O)c1ccc(F)cc1 732426949 OSRINIAHIKYQEH-FPTDNZKUSA-N 439.874 5.387 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(Cc2cccc(Cl)c2)C(C)C)ccc1OC 733656930 QRNNVKGFIYKVNL-FQEVSTJZSA-N 429.948 5.150 30 20 IKED C#CC[C@H](OC(=O)CSc1ncnc2scc(-c3ccccc3)c12)c1ccccn1 733692505 IRCSJNNOHTXANV-IBGZPJMESA-N 431.542 5.153 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)c1 733807982 XXIOVVSFCBTKTL-DYESRHJHSA-N 431.458 5.433 30 20 IKED C=CCCSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccc(OC(F)F)cc1 739431279 KWMNABLMKYJTPE-RGEXLXHISA-N 430.476 5.350 30 20 IKED CC(C)(CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)NC(=O)OC(C)(C)C 740534071 CBGQDSBPEMUZQK-OAHLLOKOSA-N 433.961 5.333 30 20 IKED COCCOc1cccc(F)c1C(=O)/C=C\c1cccc(OCc2ccccc2C#N)c1 741841017 ISPFDWQNWRQUJV-SEYXRHQNSA-N 431.463 5.198 30 20 IKED CC(=O)N(c1nc(/C=C2/CCc3cc(C#N)ccc3C2=O)cs1)c1ccc(F)cc1F 742436842 FZHZILQPILWVNA-SXGWCWSVSA-N 435.455 5.190 30 20 IKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 743449596 SHAKXUIDGPPQLX-CYBMUJFWSA-N 446.315 5.087 30 20 IKED Cc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1NC(=O)c1ccncc1 743763833 VNXAJQQGHJQKFF-VWLOTQADSA-N 446.510 5.550 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1cc(Cl)c(NC(=O)OC(C)(C)C)cc1OC 744362316 ISKBSMKAGIGZRI-UHFFFAOYSA-N 445.903 5.218 30 20 IKED COc1cc(OC)cc(Oc2ccc(/C=C\C(=O)c3cccc(N4CCOC4=O)c3)cc2)c1 745627108 XXGFIUKPWGDXJG-FLIBITNWSA-N 445.471 5.349 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccccc3CSC3=NCCS3)c2)cc1 747381939 XVXJQXHMNRTVEO-UHFFFAOYSA-N 445.569 5.939 30 20 IKED Cc1cc(C)cc(OCc2nnc(S)n2N=Cc2cc(-c3ccccc3)ccc2O)c1 749444110 MYOSZMYOPSNLDD-UHFFFAOYSA-N 430.533 5.017 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=C[C@@H]1CCOc2ccccc21 752158532 RZQITCHWPTWWNR-INIZCTEOSA-N 435.936 5.487 30 20 IKED CCN(CC)c1ccc2cc(C(=O)/C=C\c3cnc(-c4ccccn4)s3)c(=O)oc2c1 753140351 ASFSEGIMLCTLCZ-KHPPLWFESA-N 431.517 5.054 30 20 IKED C=CC[C@H](NC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1c1cccc(OC)c1)c1ccncc1 753191736 RLQGFGLLIJSVGT-GSDHBNRESA-N 427.548 5.648 30 20 IKED COc1cc(C=NOCc2coc(-c3ccc(C(F)(F)F)cc3)n2)cc(Cl)c1OC 755813683 GFDPPJQRCHMUEX-UHFFFAOYSA-N 440.805 5.582 30 20 IKED N#Cc1ccc(O)c(NC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@H](F)C(F)(F)F)(C4)C3)c1 759713788 RLERLGJBTNVQCY-ORBWHLTESA-N 446.391 5.325 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](CO)c2ccc(C(F)(F)F)cc2)cc1 759910884 KALZEPCPYPCXQF-FCHUYYIVSA-N 439.437 5.216 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cnn(Cc3ccccc3)c2)cs1 760270663 SJXKIMMUVPPLKZ-RAXLEYEMSA-N 442.544 5.277 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CCC(O)(c3ccccc3)CC2)cc1 760915424 NOVFOFWGHDJHGI-AYIJWJHJSA-N 425.532 5.294 30 20 IKED Cc1ccc(SCC(F)(F)F)c(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c1 761868641 YKSIJRNAOJBNFA-GOSISDBHSA-N 435.471 5.127 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(C)Cc2ccc(F)c(Cl)c2)c1=S 762122290 UFRUNNZLYNSXDK-UHFFFAOYSA-N 432.952 5.158 30 20 IKED COC(=O)[C@H](Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(Br)c1 766736605 ZBLWSELHCORBSG-FGZHOGPDSA-N 435.321 5.431 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-n3cnc4ccccc43)nc2)cc1 768319432 OCUZAPLFEZMQEX-QHCPKHFHSA-N 429.483 5.328 30 20 IKED N#CC(CCOC(=O)CCc1nc(C2CCCC2)no1)(c1ccccc1)c1ccccc1 770039268 OQRJFTJTHFYIHG-UHFFFAOYSA-N 429.520 5.103 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 770444122 GARQBZXRJRTUFE-APWZRJJASA-N 446.617 5.143 30 20 IKED C[C@@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CCN1C(=O)OC(C)(C)C 773807264 LJZDECDGMNBYPQ-NQIIRXRSSA-N 449.551 5.063 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)n1 780402803 MOYIYSHBTKHCRA-FPOVZHCZSA-N 433.533 5.110 30 20 IKED C[C@@H](OC(=O)C1(c2ccc(C#N)cc2)CC1)C(=O)N1c2ccccc2Sc2ccccc21 781400867 KLMJHUSOHBWYOD-QGZVFWFLSA-N 440.524 5.351 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 781449296 ZGXZDHCYXZCUSX-AOMKIAJQSA-N 437.499 5.156 30 20 IKED Cc1ccc(-c2ccc(CN(C(=O)C(=O)Nc3cccc(OCC#N)c3)C(C)C)s2)cc1 783921832 ZSQGILBILXFQCR-UHFFFAOYSA-N 447.560 5.002 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c1 784322769 GRGOSKBSLKHMBP-AZUAARDMSA-N 431.458 5.085 30 20 IKED COc1ccc2c(c1)C(=O)/C(=C\c1csc(N(C(C)=O)c3ccc(C)cc3)n1)CS2 786053760 VJSIQCJTFRFPGG-YBEGLDIGSA-N 436.558 5.517 30 20 IKED CCSCc1ccc(C(=O)[C@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 787053019 PINUYTMQZLYPGA-UGSOOPFHSA-N 435.376 5.446 30 20 IKED N#CCCn1cc(/C=C\C(=O)c2ccc(Br)cc2Cl)c(-c2ccncc2)n1 788353432 HKCXADHSOROUFY-DJWKRKHSSA-N 441.716 5.171 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN(CCC(F)(F)F)Cc2ccccc2)c1=S 790479147 SWUAEXHXOVKNPF-UHFFFAOYSA-N 433.503 5.074 30 20 IKED CN(C)C(=O)c1ccc(C(=O)/C=C\c2cn(C(C)(C)C)nc2-c2ccccc2Cl)cc1 792925255 JLIUWBWCCLBAKH-PFONDFGASA-N 435.955 5.556 30 20 IKED CN(C)C(=O)c1ccc(C(=O)/C=C\c2cc(Br)cc(C(F)(F)F)c2)cc1 792926862 RTVZGSBGXVNARH-BAQGIRSFSA-N 426.232 5.066 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CCC([C@H](F)c3ccccc3F)CC2)c1=S 795659239 SLHDISILLWIPGO-NRFANRHFSA-N 441.551 5.181 30 20 IKED N#C[C@@H](C(=O)CCc1cnc2ccccc2c1)C(=O)Nc1ccccc1Oc1ccccc1 796631632 HWYMVIVCTNQNLU-QFIPXVFZSA-N 435.483 5.307 30 20 IKED CC(C)C(=O)c1ccc([C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 802052468 AMBVRKYBJVMNGQ-IIBYNOLFSA-N 427.529 5.500 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@@H]3C[C@H](O)c3ccc(F)cc3)cc2)ccn1 810281138 YCRVEVLPCUZZPU-QPPBQGQZSA-N 446.482 5.005 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2cc(Cl)sc2[nH]1 811393673 CGTYWWLVZQLZOO-LLVKDONJSA-N 433.942 5.073 30 20 IKED CC(=NNc1ncc(C(F)(F)F)cc1Cl)c1oc2cc(C)ccc2c1CC(=O)O 814697147 AGGQPOQEIVCXOJ-UHFFFAOYSA-N 425.794 5.272 30 20 IKED O[C@@H](c1ccc(NCc2c(F)ccc(C(F)(F)F)c2Br)cc1)C(F)(F)F 864044050 RBUSZROZPNROHT-AWEZNQCLSA-N 446.160 5.815 30 20 IKED N#C[C@H](C(=O)COc1ccc2ccccc2c1)C(=O)Nc1ccccc1Oc1ccccc1 916906537 DBLNDDYCLNLXJE-HSZRJFAPSA-N 436.467 5.358 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 916925218 HCXUUCVGCGQPJV-JOCHJYFZSA-N 440.499 5.063 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916927180 DWUWPKGHSWBVMD-AWEZNQCLSA-N 448.306 5.526 30 20 IKED Cc1cc(O[C@@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1Cl 916932183 RWJQQODEUSVSSB-SMDDNHRTSA-N 425.699 5.070 30 20 IKED N#C[C@H](C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc(-c2ccc(Cl)cc2)cs1 916976592 SSYFELLOIZTXJN-MRXNPFEDSA-N 436.842 5.781 30 20 IKED N#C[C@@H](C(=O)CSc1ccc(F)c(F)c1)c1nc2cc(C(F)(F)F)ccc2s1 917043573 MCDWQHXVNDCSGE-NSHDSACASA-N 428.407 5.562 30 20 IKED N#C[C@@H](C(=O)CN(Cc1ccccc1C(F)(F)F)C1CC1)c1nc2ccccc2s1 917145138 SCNMMNSLABFFHV-INIZCTEOSA-N 429.467 5.156 30 20 IKED Clc1ccc(CSc2nncn2N=Cc2ccc(-n3cnc4ccccc43)cc2)cc1 917574110 HFRMYQLRTNPHCZ-UHFFFAOYSA-N 444.951 5.445 30 20 IKED O=C(CN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)Nc1ccc(SC(F)F)cc1 918741139 SOXVELAMRPDJEP-AOOOYVTPSA-N 436.368 5.003 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(C(F)(F)F)cc1 920108856 BAMYQEDJWPANDG-IAQYHMDHSA-N 443.252 5.853 30 20 IKED N#Cc1cc(NC(=O)N2CCc3c(ncn3-c3ccccc3)C2)ccc1Oc1ccccc1 929080383 HCYQOGLUACTKLI-UHFFFAOYSA-N 435.487 5.126 30 20 IKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)o4)CCC3)cc2)c1 1786040734 OVMZIBWMIOHXON-UHFFFAOYSA-N 447.922 5.185 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnccc3C(F)(F)F)cc2)CCC1 1787354341 ZVHDQOVXDVKKKC-OAHLLOKOSA-N 431.458 5.060 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc4c(C)cccc4[nH]3)cc2)CCC1 1789269268 KGPOBKFSEZCOMQ-UHFFFAOYSA-N 445.563 5.207 30 20 IKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H](C)c1ccccc1)C2)c1ccccc1 1798556321 KQFCUEOSFIFPEM-BYBMWWPSSA-N 442.603 5.016 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1 1809242529 DFGDNJXUAHWVGH-QPPBQGQZSA-N 445.563 5.140 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3ccoc3c2)[C@@H]1c1cccnc1 1812144639 HNLMDCFAPBXZPQ-UPVQGACJSA-N 445.563 5.140 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)Cc2ccco2)CC1 1832282051 JWQQVFMXCFUUTN-REWPJTCUSA-N 428.617 5.070 30 20 IKED CC(C)c1ccccc1NC(=O)COC(=O)c1ccccc1SCc1ccc(C#N)cc1 9073499 ZXVIBMUJKZJROE-UHFFFAOYSA-N 444.556 5.769 30 20 IKED O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cc(F)c(F)c(F)c1F 10971580 WSKIHMWJFPEQKR-UHFFFAOYSA-N 434.336 5.561 30 20 IKED O=C(/C(=C(\S)Nc1ccc(SC(F)F)cc1)[n+]1cccc(O)c1)c1ccccc1 11113224 WECAUWBJRZXQIA-UHFFFAOYSA-O 431.509 5.045 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2cccc(C(F)(F)F)c2)cc1 11128293 YFKIWTMXQZRMGJ-UHFFFAOYSA-O 429.487 5.606 30 20 IKED CCOc1cc(-c2nnc(SCc3ccc(C#N)cc3)o2)cc(OCC)c1OCC 21242083 JELQMTZVRXHVNO-UHFFFAOYSA-N 425.510 5.097 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)nnc1-c1ccccc1 21280689 MCLTYIAGRRDUHZ-KRWDZBQOSA-N 434.565 5.089 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2cccc(C)c2)cc1 23603618 QGDRAXRFYIGMCJ-UHFFFAOYSA-O 434.629 6.182 30 20 IKED CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(C2CC2)nc(SC)c1C#N 26983992 VFEYPIARQSVVDT-GJZGRUSLSA-N 437.565 5.250 30 20 IKED CN(CCC#N)c1ccc(CNCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1 30635721 ODNVORMXDSZBNE-UHFFFAOYSA-N 435.575 5.238 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(N2CCCCC2=O)c1 43781903 KXXOKBPUIJCOTA-UHFFFAOYSA-N 427.529 5.479 30 20 IKED N#Cc1ccccc1N1CCCN(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1 58536918 JZIUXLQGUMPIHX-UHFFFAOYSA-N 437.503 5.111 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 61187556 GTWLCTBPQLQVRT-UHFFFAOYSA-N 447.387 5.883 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccc(C)cc2OC)nc1 63391612 FZXZNMVVWKBCFQ-UHFFFAOYSA-N 448.479 5.319 30 20 IKED C=CCn1c(S[C@H](C)c2nc(CC)no2)nc2sc(-c3ccccc3)c(C)c2c1=O 72000752 WHFKENISSVPWRH-CQSZACIVSA-N 438.578 5.418 30 20 IKED CCCOc1ccc(/C=C\C(=O)c2cnc3sc(C(=O)OC)c(C)c3c2)cc1OC 106036233 UKVYFJQOANLXRN-VURMDHGXSA-N 425.506 5.085 30 20 IKED Cc1ccc(CN(Cc2ccco2)C(=O)NCCSCc2ccccc2C#N)s1 195707733 KPEIVVIKVWJMKB-UHFFFAOYSA-N 425.579 5.166 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)c2cccs2)nnc1-c1ccc(C(C)(C)C)cc1 255934570 SZXWTICUUJVRJD-INIZCTEOSA-N 440.638 5.460 30 20 IKED S=c1[nH]nc(-c2cccs2)n1N=Cc1cn(-c2ccccc2)nc1-c1cccs1 263627582 RQEAZYGFPYYARZ-UHFFFAOYSA-N 434.575 5.466 30 20 IKED Cc1cc(C)cc([C@@H](C)NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 303310351 ORMAPCHZIMXHQY-LJQANCHMSA-N 443.572 5.397 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCc3ccc(F)c(F)c3C2)cc1 426102246 DUZXNHZNPKGFLZ-UHFFFAOYSA-N 435.430 5.228 30 20 IKED COc1cc([C@@H](C)NC(=O)c2cccc(SCC#N)c2)ccc1OCc1ccccc1 429873350 PWYSNETYBPNNEK-GOSISDBHSA-N 432.545 5.381 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CNc2ccc(F)c(C#N)c2)cs1 432413509 HAYDTJHJUOLTOI-UHFFFAOYSA-N 434.418 5.469 30 20 IKED CC(C)(C)c1cc(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)n(-c2ccccc2)n1 433008558 DNUHKQUDCCXXJG-QFIPXVFZSA-N 429.568 5.133 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-n2ncc3ccccc32)cc1Cl 435857916 ZAMZKTIOTRAYRE-MRXNPFEDSA-N 446.963 6.325 30 20 IKED CSc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)ccc1NC(C)=O 437492968 DNWPHWKVFGGEPN-UHFFFAOYSA-N 435.480 5.422 30 20 IKED CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)c2cccc(SCC#N)c2)n1 439648515 AQGXXRIJDSLZBM-UHFFFAOYSA-N 426.929 5.456 30 20 IKED CCCc1c(NC(=O)N(Cc2ccccc2)Cc2ccco2)cnn1-c1cccc(C#N)c1 439680637 GGEQYYPYGWPZOZ-UHFFFAOYSA-N 439.519 5.524 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1 439694042 VGTJKLOPBFQGKM-CQSZACIVSA-N 436.899 5.325 30 20 IKED C[C@@H]1[C@@H](N(Cc2ccc3c(c2)OCO3)Cc2nnc(-c3ccc(C#N)cc3)o2)CCC[C@H]1C 441520970 XPECORYCUYHZIH-FGSXEWAUSA-N 444.535 5.164 30 20 IKED CN(C)CCCN(CCC#N)C(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F 444401972 YXXNHGFBZYZBJL-UHFFFAOYSA-N 434.462 5.197 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@@H](c3nc(C(C)(C)c4ccc(Cl)cc4F)no3)C2)n1 445595402 CVIMRVHVFGUSFJ-MRXNPFEDSA-N 439.922 5.147 30 20 IKED CCCc1ccc([C@@H](NC(=O)Nc2cnn(-c3ncccc3C#N)c2)c2cccs2)cc1 462095766 FYHFPVXOMABQAR-JOCHJYFZSA-N 442.548 5.064 30 20 IKED CC(C)(Cc1nc2ccccc2[nH]1)C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 462272037 NUUVNTYTFRSAGV-XMMPIXPASA-N 438.531 5.092 30 20 IKED CCc1ccc(OCc2nnc(SCCC(C)(C)C#N)n2[C@@H](C)c2ccccc2)cc1 463034209 MHYQQNPEZDQPHQ-IBGZPJMESA-N 434.609 6.061 30 20 IKED CCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 464273573 BQNVUHNWZHWKCW-IBGZPJMESA-N 445.441 5.099 30 20 IKED C=CCc1cc(C(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc(OC)c1OC 464727536 LJTFYKROXZWWDR-UHFFFAOYSA-N 449.404 5.028 30 20 IKED CSc1cccc([C@@H](NC(=O)N[C@H](C)c2ccc(C#N)cc2)c2ccc(F)c(F)c2)c1 465653026 FXYUQSQVBMHSQC-IQMFZBJNSA-N 437.515 5.708 30 20 IKED COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)s2)cc1 466233505 GVHTZXKFAQYRBP-UHFFFAOYSA-N 445.422 5.152 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Nc2cccc(COCc3ccco3)c2)c1 467428107 JKLPRWMJCMZWGX-OAQYLSRUSA-N 431.536 5.361 30 20 IKED Cc1c(C#N)cccc1NC(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 474655519 BTEHJOFYGJMCMB-NRFANRHFSA-N 435.325 5.130 30 20 IKED C[C@@H](Oc1cccnc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccccc1 475086892 MLRYGJISZJBFCP-LJQANCHMSA-N 442.519 5.169 30 20 IKED CC[C@@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ncc(-c2ccccc2)[nH]1 479186170 KGBQVYUCKHHMNY-LZBANZJXSA-N 443.551 5.089 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC(CO)(c3ccccc3)CC2)c1 480271367 PXCGNYHOARWTHA-UHFFFAOYSA-N 446.934 5.170 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482417755 SEWKLCNRSDSYBM-SFHVURJKSA-N 444.400 5.298 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@@H](CCCC#N)c4ccccc4)cc3)o2)c1 487215427 BWKZMYKURFZSBR-DEOSSOPVSA-N 436.515 5.877 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3COC3CCOCC3)n2)cc1 487914822 PBHOEXFLBVBHGG-JOCHJYFZSA-N 432.545 5.304 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)nnc1-c1ccccn1 488903633 SEWLGIBZWUAQDC-QZTJIDSGSA-N 443.576 5.037 30 20 IKED C=CCN(CCc1ccco1)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 490434957 PWJBAEZEOURWPR-UHFFFAOYSA-N 429.948 5.258 30 20 IKED N#Cc1ccc(N2CCN(C(=O)Nc3ccc4nc(C(F)F)sc4c3)CC2)c(Cl)c1 490636621 JXFVFYNRGGYFMI-UHFFFAOYSA-N 447.898 5.113 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)N(CCC)Cc3ccc(C#N)cc3)c12 498427693 AEYSCJQJCPKKPP-UHFFFAOYSA-N 428.492 5.359 30 20 IKED Cc1nc(-c2ccccn2)sc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 501429744 YYUPEDVMVZZHCG-UHFFFAOYSA-N 440.528 5.411 30 20 IKED C[C@@H](NCc1ccncc1OCC(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 503597974 NQOKGJGLXWRCGJ-SNVBAGLBSA-N 446.313 5.911 30 20 IKED CC[C@H](C)n1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nnc1-c1ccccc1 504292071 WYRYVDDZCPGJMG-SFHVURJKSA-N 443.576 5.759 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CSc2nccn2C(C)(C)C)cc1 505703159 LPDBAOGAQGPJJC-UHFFFAOYSA-N 436.537 5.041 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CCCc3cn(C4CCCC4)nc32)cc1 506401194 KYIITMLYXVJWDW-QHCPKHFHSA-N 447.583 5.012 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 506745428 XICYVSJSJDJTQE-INIZCTEOSA-N 448.567 5.223 30 20 IKED Cc1onc(-c2cccc(Br)c2)c1C(=O)Nc1sc2c(c1C#N)CCCC2 506859291 WAXZFCCGSRYRFC-UHFFFAOYSA-N 442.338 5.477 30 20 IKED COCCOc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1Cl 509144527 ZBYSXBPDWQJNMU-UHFFFAOYSA-N 436.895 5.068 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](c1ccccc1)c1ccccn1 510518859 RGEXVYANZPQCQV-AREMUKBSSA-N 434.499 5.965 30 20 IKED C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511356730 XDFWXNRRSIDTMO-KRWDZBQOSA-N 435.474 5.835 30 20 IKED C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511510182 ZPFVYZUFXXPBKS-INIZCTEOSA-N 432.911 5.689 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N(Cc3ccc(Cl)cc3)C3CC3)c2)c1 511528207 CXRLUXOJDXNKCB-UHFFFAOYSA-N 444.922 5.660 30 20 IKED Cc1cc([C@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)sc1Br 511979048 QZORUCILKHZVFK-AWEZNQCLSA-N 432.387 5.575 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)c1 513302672 XLTCHKNBRWDCDO-QFIPXVFZSA-N 446.478 5.086 30 20 IKED CC(C)(CCC#N)CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 514888125 QAZOPDFBXPCFBO-NBVRZTHBSA-N 448.548 5.581 30 20 IKED Cc1c(NC(=O)c2ccccc2)cccc1N[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 515648742 PMEUBQVFBVEASS-MRXNPFEDSA-N 432.911 5.212 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)o1 515690088 XXAHGAZLMJUHPD-UHFFFAOYSA-N 425.469 5.583 30 20 IKED COc1cc(CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)ccc1OCc1ccccc1 517778520 WAWYEBYJUPUTFJ-UHFFFAOYSA-N 443.547 5.266 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1Cl 520515380 XVLLNRADZCFMSC-XUZZJYLKSA-N 444.966 5.241 30 20 IKED C[C@@H](C#N)CSc1ccccc1NCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 520827440 CTASMWAABJYAGU-HJPURHCSSA-N 439.581 5.457 30 20 IKED COCc1c(Br)cccc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 523121579 HEQXBWPAXPRXLT-UHFFFAOYSA-N 436.309 5.463 30 20 IKED CC(C)CC(=O)Nc1cccc(CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1 524501770 LTBFHSMFEYKUTQ-UHFFFAOYSA-N 441.531 5.052 30 20 IKED CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 525345542 RMOQYYBOEDIBRU-QHCPKHFHSA-N 432.499 5.676 30 20 IKED C=CCN(C(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1)c1nc2c(s1)CCCC2 525521718 SQNOBZCMBTVPNS-UHFFFAOYSA-N 436.581 5.493 30 20 IKED COc1cc(CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C2CC2)ccc1O 534190176 JLYQZZZIBMCIDS-UHFFFAOYSA-N 428.488 5.064 30 20 IKED O=C(NC1CCC(F)(F)CC1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 534901123 LUFCMPLXMYCQRC-GWJIENBWSA-N 447.410 5.803 30 20 IKED O=C(Nc1cc(F)c(Br)c(F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 538206186 HEKWDSCDWJMJBF-UHFFFAOYSA-N 441.116 5.076 30 20 IKED C=CCN1CC[C@@H](Sc2nnc(-c3cc(-c4ccc(C)cc4)nc4ccccc34)o2)C1=O 538606026 XKHHGGXTWRCGIH-JOCHJYFZSA-N 442.544 5.139 30 20 IKED CC[C@](C)(COc1ncccc1Cl)NC(=O)Nc1ccccc1SC[C@H](C)C#N 541042421 MLSYJBZIWUKQHX-QVKFZJNVSA-N 432.977 5.356 30 20 IKED C=CCn1c(SCc2nc3ccc(Br)cc3[nH]2)nnc1-c1cccs1 541780023 WOWJPJAYYUZLID-UHFFFAOYSA-N 432.372 5.124 30 20 IKED O=C(CCc1cccnc1)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 542153450 FVNSUSOYBODNET-OAHLLOKOSA-N 444.297 5.472 30 20 IKED C[C@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 543564094 RNGLFXMGIVELDX-DFBJGRDBSA-N 426.520 5.342 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)cc1Cl 548616011 SIAMBTDVAHAOCK-UHFFFAOYSA-N 430.316 5.109 30 20 IKED Cc1cc(Cl)ccc1O[C@@H](C(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 548774865 WFZZTLAYGFTHMN-XMMPIXPASA-N 445.950 5.248 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)c2ccccc2NCc2ccccc2Cl)CC1 548906139 LXFLZNPBXBYDOZ-UHFFFAOYSA-N 430.939 5.045 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)C1CCC(OC(F)F)CC1 557015356 ZHLXIEITUQSUQE-UHFFFAOYSA-N 435.311 5.383 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C 558759238 XCTLKLYRBJVQPR-XXBNENTESA-N 436.625 5.503 30 20 IKED COc1ccccc1SC[C@H](C)CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 562108820 JRVAHJIBKLDKAB-QGZVFWFLSA-N 448.548 5.304 30 20 IKED C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1noc(-c2ccc(Cl)cc2)n1 564306962 PHKWWDYOBLFUTO-KRWDZBQOSA-N 444.922 5.691 30 20 IKED Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 570367139 CNSIAHGCJIOOLX-URXFXBBRSA-N 439.559 6.050 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(-c2ccc3c(c2)[C@H](SC)C(=O)N3)no1 577898835 RDVKTRQXRLLERJ-KRWDZBQOSA-N 447.438 5.343 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccncc1OCCC(C)(C)C 580797954 REQXDQGOHGJRGR-KRWDZBQOSA-N 426.586 5.470 30 20 IKED Cc1ccc(Cc2cnc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)s2)cc1Cl 582254037 JLSCAIVKYHTZHH-UHFFFAOYSA-N 436.846 5.234 30 20 IKED COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1 588348237 FUGOEEARVDVTRX-OAQYLSRUSA-N 439.446 5.125 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H](c4cc5ccccc5[nH]4)C3)cn2)c1 603829167 LSYUHZKXGQMVFE-FQEVSTJZSA-N 437.503 5.638 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCCc2ccc(Cl)c(Cl)c2)cc1 603962124 ZSEQOOCVBBREMJ-UHFFFAOYSA-N 429.269 5.779 30 20 IKED N#Cc1c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)sc2c1CCCCCC2 603996189 FFEHTWLKBVGEJE-UHFFFAOYSA-N 441.556 5.386 30 20 IKED N#Cc1ccc(NC(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)cc1Cl 604360580 GNDLHQDZAJLYPD-UHFFFAOYSA-N 429.705 5.046 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 604461246 DTICUTGRZFQZJS-KRWDZBQOSA-N 448.473 5.277 30 20 IKED C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 608638010 FHCZIPWYPALXLN-ZOPJHEKZSA-N 440.403 5.828 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1 608995254 GGFZYMSRMOFBLW-QHCPKHFHSA-N 435.430 5.234 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(CN2CCCC2)c1 609072471 NBCXAYCUXAXCPN-UHFFFAOYSA-N 425.532 5.294 30 20 IKED N#CCn1c(C(=O)Nc2cc3c(cc2Sc2ccccc2)OCCO3)cc2ccccc21 609169538 DNTOIZVWSPQUNP-UHFFFAOYSA-N 441.512 5.340 30 20 IKED Cc1ccccc1-c1cc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)c2cnn(C(C)C)c2n1 609358532 FDIJBHLJZNVXNT-UHFFFAOYSA-N 440.551 5.668 30 20 IKED Cc1ccccc1CN(Cc1ccccc1)C(=O)CCC(=O)N(CCC#N)c1ccccc1 609456855 MRPSVDXUWPPIPA-UHFFFAOYSA-N 439.559 5.251 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCc4[nH]c5ccc(Cl)cc5c4C3)cc2)nc1 609515910 RPDPBSDXCFLTKK-UHFFFAOYSA-N 428.879 5.079 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)cc2)cc1 609522437 LJYGSFBNVBDUDE-OAQYLSRUSA-N 436.298 5.846 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(-c3ccc(F)cc3C)c(F)c2)n1 609781218 CUDLJTKYFLCAFU-QGZVFWFLSA-N 426.444 5.064 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1OCCN1CCCC[C@@H]1C 609816204 SGLGFVMYUZPDCY-PMACEKPBSA-N 437.609 5.444 30 20 IKED Cc1ccc(C)c(Sc2ccc(NC(=O)C(=O)N[C@@H](C)c3cccc(C#N)c3)cc2)c1 610385574 XFGYJZKYKCLUAN-SFHVURJKSA-N 429.545 5.142 30 20 IKED N#CCC[C@@H](NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1 610976225 HEBJRFHKQXXCFS-LJQANCHMSA-N 429.467 5.533 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 618757146 FPFMNDKFKSUUDH-JOCHJYFZSA-N 430.895 5.273 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2cnn(C(C)C)c2n1 642282228 WOFBSAVIRUUNAE-AWEZNQCLSA-N 443.454 5.439 30 20 IKED C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 679595800 FTIYSCBQSFXLKM-RCWTZXSCSA-N 428.339 5.268 30 20 IKED Cc1ccc(Nc2nc(Cl)c(C=Nn3cnnc3-c3ccccc3)s2)cc1Cl 725855755 FTQRXRHVWRKFSZ-UHFFFAOYSA-N 429.336 5.643 30 20 IKED N#Cc1ccc(NC(=S)NCc2cccc(NC(=O)c3cccc(F)c3)c2)cc1Cl 726472374 SLWZMYHRAVSDND-UHFFFAOYSA-N 438.915 5.090 30 20 IKED FC(F)(F)c1cccc(CNC(=S)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 726474513 HZCLKVPVPJKJLG-VXGBXAGGSA-N 438.359 5.143 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12 726958138 SJQMRCJPDFURJV-UHFFFAOYSA-N 426.451 5.371 30 20 IKED C[C@@H](OC(=O)c1csc(-c2ccccc2Cl)n1)C(=O)Nc1ccc(C#N)c(Cl)c1 727563247 IXENCSFFDFGVGK-LLVKDONJSA-N 446.315 5.173 30 20 IKED Cc1nc(SCC(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)c(C#N)c(C)c1C 728034407 OSWONBODDVLLBM-IBGZPJMESA-N 433.499 5.353 30 20 IKED CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(COc2ccc(C#N)cc2)o1 728111004 YPIOMLQCIZPRIQ-ZWKOTPCHSA-N 446.503 5.428 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(CCCCC#N)C2=O)c1 728779270 XNBJHKZPGWQOJP-QFIPXVFZSA-N 448.592 5.266 30 20 IKED COc1cc(C#N)cc(Cl)c1OC(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 729649666 CNTIZTPJOSKWDF-SFHVURJKSA-N 444.915 5.172 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccccc3)s2)n(C2CCCC2)c1C 729940705 PYRVNQVEGORJMI-UHFFFAOYSA-N 437.594 5.341 30 20 IKED N#CCOc1ccc(CC(=O)Nc2sc3c(c2C(=O)c2cccs2)CCCC3)cc1 731964479 VDBKOVKLQCVUCN-UHFFFAOYSA-N 436.558 5.003 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC[C@@H]1c1ccc(F)c(F)c1 733038625 QDOKGDKBMUNFNO-LMOYCYGVSA-N 444.366 5.721 30 20 IKED FC(F)(F)c1cc(NN=Cc2csc(-c3ccccc3)n2)nc(-c2cccnc2)n1 733080396 MEPIKWSLZLHPIW-UHFFFAOYSA-N 426.427 5.127 30 20 IKED CC[C@@H](C#N)Oc1cc(CNCc2ccc(-c3ccc(Cl)cc3)s2)ccc1OC 733329974 MURVKVBBHKSRNI-IBGZPJMESA-N 426.969 6.048 30 20 IKED COC(=O)Nc1cccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 733628918 IRWSUZRCAWTWIJ-UHFFFAOYSA-N 432.436 5.181 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(OCc3cccnc3)c2)cc1 733680284 YMQBIHUNCHZTHX-MHECFPHRSA-N 427.504 5.135 30 20 IKED CC(C)(C)OC(=O)NC1(c2noc(-c3cccc(COc4ccc(C#N)cc4)c3)n2)CCC1 734360131 MMBOLUBOGFWIDV-UHFFFAOYSA-N 446.507 5.091 30 20 IKED COc1cccc([C@@H](C#N)NC(=O)c2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)c1OC 741219586 YHPGAQIWBSJCSD-OAQYLSRUSA-N 445.519 5.183 30 20 IKED CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 742960383 FJHOAJWPCPYCFW-UHFFFAOYSA-N 439.487 5.075 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1ccc(OC2CCCC2)c(Cl)c1 743472927 SDLJNBPUBNVPGP-KRWDZBQOSA-N 441.959 5.417 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)c3ccccc3C(F)(F)F)n2)cc1 744063136 YDOSDKCPXIRWTF-CXAGYDPISA-N 430.451 5.817 30 20 IKED O=C1C[C@H](C(=O)O[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c2ccc(F)cc2N1 746436585 HTOVORVSWCESFM-XJKSGUPXSA-N 435.295 5.117 30 20 IKED N#CCn1cc(NC(=O)/C(=C\c2cccc(OCc3ccccc3)c2)c2cccs2)cn1 747434275 AICMFUXQIWOIDT-HAHDFKILSA-N 440.528 5.226 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1 748486095 GFZLWHOOXLLFFT-MRXNPFEDSA-N 445.910 5.039 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)CCc1ncc(-c2ccccc2Cl)o1 749361021 NTSBXMHPKDOIBC-UHFFFAOYSA-N 430.895 5.063 30 20 IKED COc1cc(CN2CCC[C@@H]2C[C@@H](O)c2cccs2)ccc1OCc1cccc(C#N)c1 750829154 GJMZXIVTWSYMHH-DHIUTWEWSA-N 448.588 5.295 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=S)Nc2ccc(OC(F)F)cc2)cc1 751013996 LRMBFJPIPSRRDG-UHFFFAOYSA-N 441.459 5.769 30 20 IKED COC(=O)[C@H](OC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)c1cccc(C#N)c1 751654735 ALEVNLUPVBRULX-QGZVFWFLSA-N 447.299 5.060 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCCCC[C@@H]2C[C@@H](O)c2ccco2)c1 752106755 NKMLFERWSBZGIZ-DNQXCXABSA-N 444.531 5.239 30 20 IKED Cc1ccc(Cn2nc(C)c(/C=C\C(=O)c3ccc4c(c3)CCC(=O)N4C)c2Cl)cc1 754688973 CVBZLBPOBKDLHA-BENRWUELSA-N 433.939 5.007 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2)cs1 755705235 OBQMTZWPJAAPQQ-QPJJXVBHSA-N 435.307 6.170 30 20 IKED CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1c(Cl)cc(C#N)cc1Cl 764676458 PMCJJCGEDGLBIP-UHFFFAOYSA-N 445.133 5.273 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)c1 769108521 IYYFMHZTVWMYBX-VWLOTQADSA-N 440.547 5.304 30 20 IKED COC(=O)C[C@@H](NC(=O)Nc1ccccc1O[C@@H](C)C#N)c1ccc(-c2ccccc2)cc1 771190707 JUZVDGRFDWVXJS-FDDCHVKYSA-N 443.503 5.070 30 20 IKED COc1ccc([C@H](N[C@@H](C)c2ccc(OCC#N)cc2)c2ccccc2Cl)c(OC)c1 776162356 FUBZSOYRYNKTSM-SSOJOUAXSA-N 436.939 5.700 30 20 IKED CC(=O)N(c1nc(COC(=O)c2ccc(C3(C#N)CC3)cc2)cs1)c1cccc(C)c1C 777177935 SDZCHHZSNLAPFC-UHFFFAOYSA-N 445.544 5.357 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 780302011 LPHOWDRHWXGFDC-NRFANRHFSA-N 432.483 5.329 30 20 IKED COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)Nc2ccccc2O[C@@H](C)C#N)CCC3)cc1 780667073 FRQCUZKMYXHBJW-YWZLYKJASA-N 448.548 5.309 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)Nc1ccccc1O[C@H](C)C#N 780670854 RDRZINFZZFLOIO-HIFRSBDPSA-N 440.956 5.946 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@@H](C#N)C(=O)NCc1cccc(Cl)c1 786536337 NSXBFZUZODOHHM-QGZVFWFLSA-N 444.343 5.064 30 20 IKED COc1ccc([C@H](C)CC(=O)[C@@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 787050777 MDGVWWHLOMTUOC-BIENJYKASA-N 433.335 5.082 30 20 IKED C=CC[C@@]1(C(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)CCCN1C(=O)OC(C)(C)C 790623637 QDCYYTGKJRRGQT-VWLOTQADSA-N 443.588 5.264 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 798817021 SQDRYBPIDXWLDZ-WFASDCNBSA-N 438.833 5.127 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1 810821546 GISCZPYHGXKVMM-UHFFFAOYSA-N 444.491 5.274 30 20 IKED C#C[C@H](NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(Cl)cc1 811963000 FBQXMKUTSKRXTI-HUBLWGQQSA-N 426.788 5.223 30 20 IKED COc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1Cc1ccccc1 857763814 VEDXEYOTPICODP-INIZCTEOSA-N 431.561 5.147 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3nc(-c4ccc(Cl)cc4)no3)n2)cc1 915099795 BNIRFRRINYKOQX-GOSISDBHSA-N 448.935 5.631 30 20 IKED CCn1c(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nc2ccccc21 915928263 IJMWYWGFIYCVNP-HXUWFJFHSA-N 443.938 5.687 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc2c(c1)Cc1ccccc1-2 916888723 XEEQMIUGCWNFFU-OAQYLSRUSA-N 434.467 5.534 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cc3ccccc3n2Cc2ccccc2F)c1 916897728 RAMHFOMDEIEYFX-OAQYLSRUSA-N 425.463 5.098 30 20 IKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(COc2ccc(F)cc2)o1 916942795 PBOMXTIHLSJJJQ-GOSISDBHSA-N 447.249 5.266 30 20 IKED N#Cc1cccc(/C=C2/CC3(C/C(=C/c4cccc(C#N)c4)C2=O)C(=O)Nc2ccccc23)c1 917518049 RBRPZUIMXUDKBZ-GACBQCINSA-N 441.490 5.150 30 20 IKED CCOc1cccc2cc(C(=O)/C=C\c3csc(N(C(C)=O)c4ccc(C)cc4)n3)oc12 917559480 JMCDXWMGURLFIL-RAXLEYEMSA-N 446.528 6.177 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cnn(-c3ccccc3)c2C)cs1 917560087 GUHAQYLMNLUYKD-SDNWHVSQSA-N 442.544 5.526 30 20 IKED CS(=O)(=O)c1ccc(/C=C\C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)cc1 918155692 LYYLWVQMWHEMTJ-WCIBSUBMSA-N 436.476 5.734 30 20 IKED N#Cc1ccc(-c2ccc(OC(=O)c3cnn(-c4ccccn4)c3C(F)(F)F)cc2)cc1 918213755 RFARSMNLACLWFE-UHFFFAOYSA-N 434.377 5.044 30 20 IKED COc1ccc2c(c1)CCC[C@@H]2CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 920110534 RLJONQKGLSHGNX-RDTXWAMCSA-N 431.319 5.160 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1ccc(F)cc1F)c1nc(-c2c(F)cccc2F)cs1 920806845 RETWCGONQBIAIX-ZDUSSCGKSA-N 432.398 5.206 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(SC)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F 921260962 HCPQELKCDJYXPL-VMPITWQZSA-N 427.400 5.163 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nc(O)c3ccc(Cl)cc3n2)c1 1651818242 GBZHKVRLTGAQEX-OAHLLOKOSA-N 440.956 5.033 30 20 IKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)c[nH]4)CCC3)cc2)oc2ccccc12 1788968821 GQKAWWZZGUQQPQ-UHFFFAOYSA-N 438.487 5.003 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc4[nH]ccc4s3)cc2)CCC1 1789104604 SSRXJOXHGJMBBF-UHFFFAOYSA-N 429.492 5.189 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cccc(C(F)(F)F)c4)cc3)CCC2)CCC1 1790281522 JRQZSSOXJBMFLP-UHFFFAOYSA-N 441.453 5.147 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccnc(C(F)(F)F)c3)CCC2)cc1 1791728998 YOYJGNYXBKTFRP-UHFFFAOYSA-N 443.469 5.042 30 20 IKED CC(C)(C)c1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(C#N)CCC2)C3)cc(C(C)(C)C)c1 1800557115 YGDYROHJGKISRH-NUNAXRQHSA-N 449.639 5.227 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(C)c(C)c2)n[nH]1 1815631425 SZDSFQFDROKIQA-JTHBVZDNSA-N 434.584 5.030 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1819557036 UMWJQIHCAFMUTP-GCJKJVERSA-N 447.583 5.335 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3cc(C)[nH]c23)CC1 1828828133 DJRNWQUUDCLCHB-UKILVPOCSA-N 447.623 5.478 30 20 IKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nc2cc(Cl)ccc2c1=O 9085402 RDERLNMRIBEWBE-UHFFFAOYSA-N 445.331 5.232 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2ccccc2CC)c1 10174574 ICGVAGJRLBQPHY-UHFFFAOYSA-O 445.652 6.447 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2ccc(F)cc2F)cc1 11248321 AFOSCFPPUOLPTG-UHFFFAOYSA-O 439.551 5.791 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccc(C(C)C)cc2)c1 11264531 NCXVZCXFOZQFOT-UHFFFAOYSA-O 431.625 6.580 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1Cl 15581723 HNRDGVPAJPPTOP-UHFFFAOYSA-N 444.347 5.040 30 20 IKED CCOc1ccc([C@@H](CNC(=O)c2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1OC 16176427 CKQWIOULDADXKF-JOCHJYFZSA-N 439.515 5.009 30 20 IKED COc1cc(C(=O)/C=C/c2c(C)nn(Cc3ccc(C)cc3)c2Cl)cc(OC)c1OC 16407803 AQBIFISOFAYBLF-ZHACJKMWSA-N 440.927 5.124 30 20 IKED C=CCOc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)cc1OC 22168708 URYFMBZZTFEADU-VMSUTVGLSA-N 443.927 5.114 30 20 IKED C=CCn1c(SCC(=O)N(C(C)C)C(C)C)nc2scc(-c3ccccc3)c2c1=O 23559056 OGSVAVYEMKZEJP-UHFFFAOYSA-N 441.622 5.049 30 20 IKED N#Cc1ccccc1N1CCCN(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)CC1 64564986 KXOFFGFOVXYIMP-UHFFFAOYSA-N 447.926 5.143 30 20 IKED C=CCN(Cc1ccccc1)C(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 108269123 SUTWEVRJOVZOTA-UHFFFAOYSA-N 442.943 5.930 30 20 IKED COc1cccc([C@H](CNc2c(F)cc(C#N)cc2F)c2c[nH]c3ccccc23)c1OC 111219684 VTPHAEJKKLHNHS-IBGZPJMESA-N 433.458 5.579 30 20 IKED CC(C)Cc1ccc(C(=O)C2CCN(CC(=O)Nc3ccccc3SCC#N)CC2)cc1 113176616 GHZFSBFQQTXFHB-UHFFFAOYSA-N 449.620 5.034 30 20 IKED COc1cccc([C@H](CNc2nc(C)cc(C)c2C#N)c2c[nH]c3ccccc23)c1OC 247935315 RZXFGUOXHTXKGV-QFIPXVFZSA-N 426.520 5.313 30 20 IKED CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2c1c(C#N)cnc2ccc(Cl)cc12 302053918 PWAYDMSSLFLHID-WCRBZPEASA-N 430.939 5.032 30 20 IKED Cc1ccccc1[C@@H](CC(C)C)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 303452552 LARAORTYKAWERP-OAQYLSRUSA-N 446.551 5.235 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 303627647 FANYKNGYMGYIME-HXUWFJFHSA-N 431.536 5.247 30 20 IKED COCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 429368603 DJJATLGISVACGH-LJQANCHMSA-N 426.925 5.369 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1 429640863 ZYEFEQDUTHTYJI-UHFFFAOYSA-N 440.425 5.840 30 20 IKED N#CCSc1cccc(C(=O)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c1 429827603 IRZPNYUBLCVOQQ-UHFFFAOYSA-N 430.316 6.049 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)Cc3c[nH]c4cccc(Cl)c34)s2)cc1 431397003 RJVOSUJRFGAGGU-UHFFFAOYSA-N 439.953 5.018 30 20 IKED N#CCCC[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1 432752210 JPKWQGFDGBRZDT-IBGZPJMESA-N 446.473 5.099 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CCCc2ncc(-c3ccccc3)o2)cc1F 437490107 BQIAJPSMVVEVGV-UHFFFAOYSA-N 441.462 6.106 30 20 IKED Cc1csc([C@@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C2CC2)n1 437951259 WPTLYUWOUNZFKZ-NRFANRHFSA-N 436.512 5.314 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 438501146 SLHXVJVAWXEGSR-NPPPIGHJSA-N 443.572 5.298 30 20 IKED Cc1c(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cccc1C(F)(F)F 439403468 MPVDWPFLEUHPPA-UHFFFAOYSA-N 439.393 5.255 30 20 IKED C[C@H](Nc1ccc(COCc2ccccc2)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 439652660 QVPPCNCJIPRVBC-FQEVSTJZSA-N 431.511 5.290 30 20 IKED CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 440534341 KVHQSTQYCXPIKE-DEOSSOPVSA-N 438.575 5.286 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2nc(COC)sc2-c2ccccc2)cc1 440691903 LLYTVVUBVVDEOC-UHFFFAOYSA-N 447.560 5.023 30 20 IKED Cc1noc(C)c1[C@H](C)CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 443850472 GCPOPSVAZPSMFO-CQSZACIVSA-N 438.915 5.321 30 20 IKED C=CCN(C(=O)[C@@H]1CCC(=O)c2cccn21)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 448135042 QHCBFGJHLMOCDO-SFHVURJKSA-N 446.359 5.655 30 20 IKED N#CCCN(CC1CC1)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCCO1 461077002 VETBVUVVYYWAPT-MRXNPFEDSA-N 441.988 5.122 30 20 IKED Cc1nc(N2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)c(Cl)cc1C#N 461931980 AEWROKKHDVWZOA-MRXNPFEDSA-N 444.720 5.069 30 20 IKED N#Cc1cccnc1-n1cc(NC(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)cn1 462085963 UKTHLJZGTQHHCC-UHFFFAOYSA-N 443.898 5.048 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccnc(Oc2cccc(C)c2C)c1 466504506 IKKQXTRWIVRZGI-UHFFFAOYSA-N 446.507 5.297 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cccc(-c3cccnc3)c2)cc1 468623011 RQQFICPMVYDCGG-UHFFFAOYSA-N 435.552 5.843 30 20 IKED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(Cl)ccc1OC(F)F 469200946 HXZWEJSLPKLDGL-CQSZACIVSA-N 433.886 5.697 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)ccc21 470846444 CTIBVGIMIBFJQB-UHFFFAOYSA-N 449.514 5.137 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)CCc1nc(O)c2c3c(sc2n1)C[C@H](C)CC3 473376413 IRJSYEUQAURHCK-QGZVFWFLSA-N 435.593 5.059 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)c2)cc1 474432835 IMSGHMAKZSOHPT-HSZRJFAPSA-N 446.572 5.857 30 20 IKED COC[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 474504517 WIZLOLXETFFNSI-QFIPXVFZSA-N 429.520 5.380 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1 474636527 VDNBSFIXWMEJDW-INIZCTEOSA-N 447.526 6.511 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cnn(-c2cccc(Br)c2)c1C 476087690 CCFLGEDTYDNVRR-UHFFFAOYSA-N 438.369 6.047 30 20 IKED Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 480651939 VXIATODICGJEDJ-NSHDSACASA-N 447.486 5.097 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CC3(CCOCC3)c3ccccc32)cc1 481432606 KXIHRGBZIDVMGU-UHFFFAOYSA-N 426.541 5.418 30 20 IKED C=C(C)[C@H](NCc1csc(N(C(C)=O)c2ccccc2OC)n1)c1ccc(F)c(F)c1 481578265 MWZKZVMFWIHGJU-QFIPXVFZSA-N 443.519 5.522 30 20 IKED C[C@H](NC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1ccon1 482338345 SDNWSDUZLHDQDA-JVXZTZIISA-N 449.273 5.376 30 20 IKED C[C@H](CC#N)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 484795000 FUSRQXXRDICAQA-YWJBVVMDSA-N 426.476 5.052 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 486242912 WWGZAOOAONWGJL-DZGCQCFKSA-N 448.375 5.237 30 20 IKED COc1ccc(CN(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1C 491551505 UFAXKVHLIWIJHM-UHFFFAOYSA-N 429.520 5.313 30 20 IKED COc1cccc(C[C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 497775848 LSEHJICELCBKSD-KRWDZBQOSA-N 431.492 5.120 30 20 IKED Cc1cc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)nn1CCCOc1ccc(F)cc1 504551708 FTCGCUWVRPMFPS-UHFFFAOYSA-N 449.530 5.114 30 20 IKED COc1ccc2[nH]cc(CC(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)c2c1 505622332 OZENGCRZJWOSPA-UHFFFAOYSA-N 427.460 5.030 30 20 IKED N#C[C@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1ccccc1Cl 505628839 BAVWNWQRBHLCQF-IBGZPJMESA-N 444.844 5.417 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)cc1 505686531 QZANJHGEFNJTFY-HSZRJFAPSA-N 444.487 5.169 30 20 IKED CCOc1ccc(-c2nc(CN3CCC(Oc4ccc(C#N)cc4)CC3)cs2)cc1OC 507786439 YCSMOXIHUCORBW-UHFFFAOYSA-N 449.576 5.132 30 20 IKED C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@H](c2ccsc2)C1 508864366 OCQHXIBSGVMMDC-IBGZPJMESA-N 449.605 5.202 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 510046821 YTDFSEOKSKBXQF-VFNWGFHPSA-N 434.883 5.786 30 20 IKED O=C(NCc1cccc(C(F)(F)F)c1)Nc1cccc(COCC(F)(F)C(F)F)c1 510441419 LSLQKEJSORKKFD-UHFFFAOYSA-N 438.343 5.444 30 20 IKED COc1ccc(N(Cc2ccccc2)C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1 511912666 RENHXNDZYSNPQB-UHFFFAOYSA-N 443.522 5.156 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N(c1nccs1)C1CCCCC1 512516594 INZUNHUKDKZTFL-LJQANCHMSA-N 429.634 5.053 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)[C@@H]1CCCN(C2CCC2)C1 512769575 WRQOHZKGEBRAPF-NFBKMPQASA-N 446.595 5.220 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 512854279 AAMLFYGLXQMHNL-UHFFFAOYSA-N 428.517 5.183 30 20 IKED CN(Cc1csc(Br)c1)C(=O)c1cccc(COc2ccccc2C#N)c1 513468368 GPFXADDACSJBKO-UHFFFAOYSA-N 441.350 5.233 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3c4c(nc5ccccc35)CCC4)c2)c1 515674593 SQWKQWLZGHCPPI-UHFFFAOYSA-N 432.483 5.100 30 20 IKED Cc1noc(CSc2ccc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)cc2)n1 515684183 ZMMMNAJHMXVBHB-UHFFFAOYSA-N 432.530 5.523 30 20 IKED COC(=O)c1cc2cc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)ccc2o1 516397351 UQBFCMHNLJDANQ-UHFFFAOYSA-N 442.496 5.636 30 20 IKED CN(C)CCOc1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 517820580 KPXIQJOOOOPISF-QFIPXVFZSA-N 433.939 5.188 30 20 IKED C[C@H](Oc1ccc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cn1)c1ccccc1 518320622 RKQHESGSFIHNLS-MGPUTAFESA-N 425.410 5.235 30 20 IKED N#Cc1ccc(CN2CCCN(C(=O)Nc3cccc(COC4CCCCC4)c3)CC2)cc1 520814700 NUQRYJDEPSUASA-UHFFFAOYSA-N 446.595 5.147 30 20 IKED C=CCN(CC(F)(F)F)C(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 521791735 BKKCWRKPVIURJY-UHFFFAOYSA-N 434.842 5.292 30 20 IKED C[C@H]1CCCCN1Cc1ccc(CNC(=O)c2occc2COc2cccc(C#N)c2)cc1 523282723 ZBVAFCDTRXKACB-FQEVSTJZSA-N 443.547 5.035 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C(C)C)C2CCC2)c1 524865184 NZNMLCTWVOMJPE-UHFFFAOYSA-N 447.000 5.124 30 20 IKED C=CCN(C(=O)CCSc1ccc(OC)c(OC)c1)c1nc(-c2ccccc2)cs1 525335068 OMSWJEMPRYSIPV-UHFFFAOYSA-N 440.590 5.529 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@@H]1c1cc2ccccc2[nH]1 533520541 DKVYIJUYWWITPF-WZONZLPQSA-N 432.593 5.728 30 20 IKED Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)Nc1ccccc1SC[C@H](C)C#N 535971175 YSWCEGPEWXOPLM-IEBWSBKVSA-N 433.581 5.293 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccc(C)n4C)n3)n2)cc1 536204759 RCSMMISVLAFWPH-INIZCTEOSA-N 434.546 5.079 30 20 IKED C[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc(-c2ccccc2)no1 536331323 OBRCEJRBSJJRIC-QGZVFWFLSA-N 439.475 5.326 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)Cc2ccc(OCc3ccccn3)cc2)cc1 539098299 DWBZEQAPZSFGBB-UHFFFAOYSA-N 433.511 5.058 30 20 IKED CCCCSc1ccc([N+](=O)[O-])cc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 540779555 NWBRSTWUZRELBA-OAHLLOKOSA-N 444.463 5.722 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 541093363 ALMODKNMEIPRNH-BEFAXECRSA-N 449.498 5.563 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)n1 541099299 DFAHWMQZYLIMRL-GOSISDBHSA-N 448.939 5.376 30 20 IKED COCCC[C@H](C)C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 541226900 DODOTKVTLONECQ-ZANVPECISA-N 439.318 5.507 30 20 IKED C[C@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1ncc(-c2ccccc2)o1 542571148 LDEPFUGQIOBUHX-CVEARBPZSA-N 434.565 5.221 30 20 IKED CN(C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 543606410 DIDZCNIDJJJBCI-RDGATRHJSA-N 445.494 5.874 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 543878576 HAQMSXIUAAXMSF-AWEZNQCLSA-N 439.315 5.573 30 20 IKED C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccc(-c2cccc(C#N)c2)cc1 543917866 PLSOCIDKXFMBOM-LJQANCHMSA-N 436.515 5.083 30 20 IKED Cc1ccc(C2CCN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)CC2)cn1 544015459 RMKLPUXUIKZRHB-UHFFFAOYSA-N 431.923 5.727 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(COc2ccccc2)c1C 554456040 PNZDPKMLDLUAQL-UHFFFAOYSA-N 432.568 5.962 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)c1C 558469947 CJIYGBIVNYZSGY-AWEZNQCLSA-N 445.375 5.787 30 20 IKED C=C(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@H](c2ccsc2)C1 558964777 IJTPDWGIHSDFJI-QFIPXVFZSA-N 431.565 5.017 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1cnn(CC(C)C)c1C1CC1 570050681 GBXARUDIIRCBFN-UHFFFAOYSA-N 429.524 6.033 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)cc2)cc1 587829711 GZFLNQRCPXXHIV-ZONZVBGPSA-N 438.527 5.190 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3ccc(C#N)c(Cl)c3)c2)cc1 589286072 QONONNCXIRULML-UHFFFAOYSA-N 432.907 5.565 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)cn2)cc1 603689725 BYIGQMOCBFXXBY-HXUWFJFHSA-N 441.516 5.724 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)o1 603833050 TZSBWSHZINPTPR-QHCPKHFHSA-N 432.476 5.450 30 20 IKED C[C@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 604104508 OKKPNKOHKPYNPE-SJORKVTESA-N 430.483 5.071 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1c(C)nc2c(c(C)nn2C)c1C 604358632 FZEHFSLJWCOCMU-UHFFFAOYSA-N 439.519 5.047 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(OCCc4ccccc4)CC3)cn2)cc1 604475125 RWTQMZULTCUNQX-UHFFFAOYSA-N 442.519 5.001 30 20 IKED CC(C)(C)C[C@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1 605048992 ACVZXCMQJXXIED-AWEZNQCLSA-N 428.392 5.829 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N3CCC(C(=O)c4cc(F)ccc4F)CC3)c2)cc1 606353070 GXXFGAAOLKJMCT-UHFFFAOYSA-N 445.469 5.315 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 609107003 FQSZLORQEFPNEO-SFHVURJKSA-N 444.969 5.256 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1)C(C)C 609744236 SBJHKEZEYQFNMR-UHFFFAOYSA-N 442.519 5.751 30 20 IKED CSc1ccc(O[C@H](C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 610106579 AKWSOSNZALRSRA-GOSISDBHSA-N 432.545 5.460 30 20 IKED C[C@H](NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1cccc(C#N)c1 610356415 REZLMOXGMKWONZ-FYSMJZIKSA-N 447.922 5.133 30 20 IKED C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618450079 KXIJGSGEFIIONE-ZMLRMANQSA-N 436.318 5.095 30 20 IKED O=C(c1cc(Cl)cc(C(F)(F)F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 681654036 ZUSJYZPQKATMMW-NXEZZACHSA-N 427.694 5.562 30 20 IKED O=C(/C=C\c1csc(-c2ccsc2)n1)c1ccc(OC(F)F)cc1OC(F)F 728156119 BJIILMYJTUFAMB-RJRFIUFISA-N 429.416 5.971 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\Oc3c(Cl)cccc3C2=O)cs1 729149231 DSAOAEUXMXOZGJ-MFOYZWKCSA-N 431.300 5.751 30 20 IKED Cc1ccc(C(=O)N[C@H](CC(=O)[C@H](C#N)c2ccc3ccccc3n2)c2ccccc2)cc1 729889986 GYDLVAJPKJJFFV-ZEQKJWHPSA-N 433.511 5.281 30 20 IKED COc1ccccc1[C@H]1CCCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 730061115 PDCWLNHBBQKEIO-LOSJGSFVSA-N 425.532 6.110 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1c(F)c(F)c(F)c(F)c1F 731039913 CTMKEPIYBWLSKG-SNVBAGLBSA-N 446.466 5.506 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)OCc2cc3ccccc3nc2O)cc1 733378705 ZXPFHKOYXXHBKO-UHFFFAOYSA-N 426.497 5.461 30 20 IKED N#CCOc1ccccc1C(=O)Nc1nc(-c2cccc(Oc3ccccc3)c2)ns1 733767021 YXRNYVREWFFBBY-UHFFFAOYSA-N 428.473 5.152 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccncc3)c(Cl)c2)cc1 734080374 RRTMGVNPEGVEKY-NRFANRHFSA-N 447.922 5.831 30 20 IKED N#C[C@H](C(=O)COc1ccccc1OCc1ccccc1)c1nc(-c2ccncc2)cs1 734083015 KSWXVWSDEZBEND-HXUWFJFHSA-N 441.512 5.039 30 20 IKED CCN(CC)C(=O)c1ccccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 735004523 DFMBLCDSTQERAG-UHFFFAOYSA-N 447.922 5.738 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)OCc2cc3ccccc3nc2O)c1 735165507 JVJFCGWUHOWIMA-UHFFFAOYSA-N 430.847 5.615 30 20 IKED O=C(/C=C\c1ccc(-c2nc3ccccc3s2)o1)c1ccc(S(=O)(=O)C(F)F)cc1 735233153 ZUKXLMWMYKGVNA-XFFZJAGNSA-N 445.468 5.449 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc2ccccc2n1 741456597 QXEPFKUTIYPLFF-UHFFFAOYSA-N 430.920 5.517 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cn(-c3ccc(Cl)cc3)nc2C)cc1 744027899 DWMDJUNZHVCPQM-NRFANRHFSA-N 434.927 5.138 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@H](C#N)c2nc(C(C)C)cs2)cc1 747194076 RNZDOJXSKCLOHD-NRFANRHFSA-N 443.572 6.232 30 20 IKED CCc1ccc(OCc2nn(CN(CC#N)C3CC3)c(=S)n2[C@@H](C)c2ccccc2)cc1 747789499 DQAVJHWJYTXZKS-IBGZPJMESA-N 447.608 5.110 30 20 IKED C#CCN(Cc1ccc(F)cc1)Cc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1 750820200 ZZYVNNFMCPULSK-UHFFFAOYSA-N 427.932 5.256 30 20 IKED COc1ccc(-c2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)n[nH]2)cc1OC 751350452 FXEDPWGZPBVMFG-NRFANRHFSA-N 438.487 5.002 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)[C@H](O)c1c(Cl)cccc1Cl 752677335 JWADVWBLFBPGSL-VPZZIHKRSA-N 438.380 5.489 30 20 IKED N#CC1(NC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CCSCC1 756028527 QQEXLQQPDTUWNM-UHFFFAOYSA-N 426.541 5.452 30 20 IKED C=CCCC(=O)COC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 761412325 PDMZTNFAQYOUSR-ZYKQFOSWSA-N 426.397 5.187 30 20 IKED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(C)C)cc2)N(Cc2ccc(C(F)F)cc2)C1=O 764935378 NTRPAAQNDZAVGW-IBGZPJMESA-N 445.535 5.015 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)c2ccoc2COc2ccc(C=O)cc2)cc1 773727586 QYJQRRIQUVRQHP-UHFFFAOYSA-N 436.467 5.140 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(COc3ccccc3)cc2)ccc1OC 774139787 FWXGPGYBYRYVJN-JOCHJYFZSA-N 445.519 5.277 30 20 IKED C=CCC[C@@H](NCc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(C(F)(F)F)cc1 775553914 SGJXSSCABZGYGA-GOSISDBHSA-N 433.442 5.499 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 778295215 QUVLNGXHEWOFGM-ZANVPECISA-N 440.878 5.305 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)C1(c2ccc(Br)cc2)CCCCC1 780178213 QYFPGNZSQRWZIH-MRXNPFEDSA-N 427.342 5.581 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 780304870 BIXOFQFUIXTQGZ-IBGZPJMESA-N 439.471 5.163 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)Nc1ccc(SC(C)(C)C)cc1 784258755 WLLSWWSMDANDKW-HNNXBMFYSA-N 427.595 5.406 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 787574064 QZGLRHGIWSTJNO-GOSISDBHSA-N 438.572 5.238 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(C)c(Br)c1C 791772132 WSFVVBYMGFLDGQ-SFHVURJKSA-N 427.342 5.152 30 20 IKED N#C[C@@H](C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1cnc2ccccc2n1 792107267 AGHWOZKJDUYPDJ-NLFFAJNJSA-N 443.959 5.982 30 20 IKED Cc1c(C(=O)Nc2ccc(N3CCC(N(C)C)CC3)c(F)c2)sc2ccc(C#N)cc12 794288704 OCUMZMPYNIIZKH-UHFFFAOYSA-N 436.556 5.003 30 20 IKED C[C@H](Oc1ccc2ccccc2c1)C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 795724572 LVBCWVUYCFJHJH-MSOLQXFVSA-N 448.544 5.183 30 20 IKED N#Cc1ccc(N2CC[C@H](c3nc(-c4ccc(COc5ccccc5)cc4)no3)C2)c(F)c1 904446679 RUFNITRAQIWAJJ-NRFANRHFSA-N 440.478 5.320 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)c1nc2ccccc2n1C(F)F 915106795 GMLZPWDZASVTGN-AWEZNQCLSA-N 442.878 5.627 30 20 IKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(CN4CCCCC4=O)cc3)c2C#N)C1 915138707 PUZHHWIKJOOTPM-IBGZPJMESA-N 449.620 5.536 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2cc(Cl)c3c(c2)OCCO3)cc1 915354081 UXQXGIMZELMBNI-NRFANRHFSA-N 447.922 5.131 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(OCC(F)(F)F)c2)cc1 915359376 QWVNWLNCNSZXRS-QFIPXVFZSA-N 439.437 5.605 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cn(CCC#N)c2ccccc12 916310161 VCIIWQNBYUVMPP-UHFFFAOYSA-N 437.528 5.184 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 916913057 CVTQCSCDAFKNPJ-NRFANRHFSA-N 443.551 5.193 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)c(C)n1-c1cccc(Br)c1 917510161 UEBOMWBISKZNMS-SFHVURJKSA-N 434.293 5.488 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1 918418008 ZILJHDYWUADQFI-UHFFFAOYSA-N 438.314 5.129 30 20 IKED C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccccc2SCC#N)cc1Cl 918645778 LGYZKATWGAPBSJ-HNNXBMFYSA-N 427.957 5.223 30 20 IKED C[C@H](OC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1)C(=O)N(CCC#N)c1ccc(F)cc1 919204488 JDLVEGAQSKJONU-LBPRGKRZSA-N 448.281 5.106 30 20 IKED Cc1nn(-c2ccc(C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cc2)c(C)c1Cl 920105828 FZIQOOXPILBELJ-IBGZPJMESA-N 430.895 5.138 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C)n(-c4cc(C)on4)c3C)n2)cc1 920138698 HTMOPDGGNNIYOA-IBGZPJMESA-N 432.505 5.013 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3cc(Cl)ccc3Cl)n2)cc1 920140595 IHTGLCXCOBTALJ-HNNXBMFYSA-N 444.368 5.957 30 20 IKED CCCc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 920143240 OFJPDFSFXYODPR-NRFANRHFSA-N 432.545 5.611 30 20 IKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)C3CC(F)(F)C3)cc2)CCC1 1785912412 XMCZTQGYCIBVFD-UHFFFAOYSA-N 446.614 5.217 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C3CCC(F)(F)CC3)cc2)CCC1 1786244991 PQJYZQPHRMTTAB-OAQYLSRUSA-N 430.539 5.714 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2)CCC1 1788244171 BEIYXGDMZBZMEV-UHFFFAOYSA-N 427.548 5.038 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5ncccc5c4)cc3)CCC2)c1 1788908474 VJMZLOSLEANGLG-UHFFFAOYSA-N 446.510 5.168 30 20 IKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@]3(F)Cl)CCC2)cc1 1789509853 OERGWMWFQUIXFE-WMZHIEFXSA-N 449.042 5.096 30 20 IKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)o1 1790766184 LSRRRBOUPFIRKH-UHFFFAOYSA-N 433.895 5.175 30 20 IKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1cc(Cl)ccc1Cl)C2 1793054978 MCVANKRSUNMWQM-WKCHPHFGSA-N 449.422 5.333 30 20 IKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)/C(C)=C/c2cccs2)[C@H]1c1cccnc1 1803080876 FSIYFVFMOHCADJ-DMJRHOSBSA-N 449.620 5.021 30 20 IKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)C[C@@H](C)c2ccccc2)[C@@H]1c1cccnc1 1803089105 LTPFMFONLKFTQD-NKPLSRDGSA-N 445.607 5.050 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)[C@H](C)c3ccc(Cl)cc3)C2)CC1 1805194168 LSHJGPPEVWOKDS-NFBKMPQASA-N 443.031 5.443 30 20 IKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(C)c3ccccc23)n[nH]1 1823603823 JOEUBPVYTPOWLJ-QHCPKHFHSA-N 430.552 5.072 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)oc2C(F)(F)F)CC1 1825962040 BYUOEWBFLFEEFN-DNVCBOLYSA-N 440.506 5.052 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sccc2Cl)CC1 1829442558 NYQZNZYDBBBLKE-HXUWFJFHSA-N 435.033 5.403 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(-c3ccccc3)cc2)=C(/S)Nc2ccccc2)cc1 10170306 APZFOFMZCLXIQN-UHFFFAOYSA-O 437.588 6.254 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N[C@H](c2ccccc2)c2cccs2)n1 10399596 QTWZWYSPCHJYIY-LJQANCHMSA-N 447.507 5.340 30 20 IKED C=CCn1c(SCc2cc(=O)oc3cc(NC(=O)OCC)ccc23)nc2ccccc21 11650909 MRDBEDMEMCQKEP-UHFFFAOYSA-N 435.505 5.189 30 20 IKED C=CCn1c(SCc2ccc(OC)c(Br)c2)nnc1-c1ccc(OC)cc1 16865012 LKWFFJMAYHSVCR-UHFFFAOYSA-N 446.370 5.203 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)cc3)o2)nc2sc(C)c(C)c2c1=O 17652947 FJPBOADDJWPKBB-OAHLLOKOSA-N 438.578 5.473 30 20 IKED Cc1cc(C)cc(N/C(S)=C(\C(=O)c2cc(C)[nH]c2C)[n+]2ccc(C(C)(C)C)cc2)c1 23603885 GTZNLMOJJJWQAC-UHFFFAOYSA-O 434.629 5.884 30 20 IKED C=CCn1c(SCc2c(-c3ccccc3)nc3ccccn23)nnc1-c1ccoc1C 58920381 VOXBFPFIDGORMB-UHFFFAOYSA-N 427.533 5.640 30 20 IKED C=CCn1c(SCc2csc(CCC(C)C)n2)nnc1[C@@H]1COc2ccccc2O1 115935848 UCZIUCMEDQWMBT-IBGZPJMESA-N 442.610 5.314 30 20 IKED N#Cc1c(Cl)nsc1Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 301936034 UGZMPWPTJKKKGY-UHFFFAOYSA-N 431.333 5.115 30 20 IKED C=CCn1c(SCc2nccn2C(F)F)nc2scc(-c3ccc(C)cc3)c2c1=O 302909770 JEQMHMQDGHDYPX-UHFFFAOYSA-N 444.532 5.503 30 20 IKED O=C(c1cc2ccc(OC(F)(F)F)cc2[nH]1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 303680562 MGAQSADETFACIV-UHFFFAOYSA-N 434.258 5.023 30 20 IKED C=CC[C@H](C(=O)N1CCC[C@@H](CNC(=O)[C@H](CC=C)c2ccccc2)C1)c1ccccc1 427148668 YXNWZNZVUHLMIM-DFCKQENNSA-N 430.592 5.061 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 429049764 WGAUPAFBXKJSGG-QFIPXVFZSA-N 435.915 5.042 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCN(C2CCC2)C1 432680857 MSTFHPOKTNOHNC-MBSDFSHPSA-N 436.987 5.334 30 20 IKED CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 435856060 MDZMLKQSXZAPJS-IBGZPJMESA-N 446.620 5.441 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c12 436326645 BLUNNSGSFZFZNS-FYYLOGMGSA-N 441.579 5.284 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccc2c(c1)CCC(=O)N2 438656029 OKLLVMHWFQDHRJ-HNNXBMFYSA-N 444.466 5.257 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O 439352460 FYWBBMHJSLVISX-WRWCPAJBSA-N 433.552 5.452 30 20 IKED N#CCC[C@H](NC(=O)c1cc(Br)sc1Br)c1ccccc1 439679082 SRXRQJCOLKCVGX-LBPRGKRZSA-N 428.149 5.048 30 20 IKED CCCc1c(NC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)cnn1-c1cccc(C#N)c1 439691811 NZBCGMGMNUYCBX-XLIONFOSSA-N 431.515 5.245 30 20 IKED CCCc1c(NC(=O)c2oc3ccccc3c2COC(C)C)cnn1-c1cccc(C#N)c1 440083969 ZFUXFECPDAXOGD-UHFFFAOYSA-N 442.519 5.620 30 20 IKED CCCc1c(NC(=O)c2c[nH]cc2-c2ccc(Cl)s2)cnn1-c1cccc(C#N)c1 440084352 VZMNEDZNYYAKRK-UHFFFAOYSA-N 435.940 5.659 30 20 IKED Cc1ccc(Cl)c(N(Cc2ncc[nH]2)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1 440881767 CILFFMUZJUWZLS-UHFFFAOYSA-N 446.894 5.262 30 20 IKED C[C@H]1C[C@@H]1[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1 442380906 MBHYRNUBHIQFOA-ZUEQLIKTSA-N 441.984 5.044 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)c1nc(-c2ccncc2)cs1 442867551 YXENFIJFLZAZIE-KRWDZBQOSA-N 435.430 5.779 30 20 IKED N#Cc1ccc(C2(C(=O)NCc3csc(-c4ccc(C(F)(F)F)cc4)n3)CC2)cc1 444119090 BZMQPMWUOGQCAY-UHFFFAOYSA-N 427.451 5.049 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC=C(c2ccc(O)cc2)CC1 460371794 WBMYDDNUMSWHMJ-DQEYMECFSA-N 442.563 5.099 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 460373684 FLKMOIRVBZHKBF-CVCYQNGTSA-N 445.592 5.004 30 20 IKED C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1csc(C)n1 460560422 CHLMQGRPOTYRQK-LJQANCHMSA-N 429.977 5.193 30 20 IKED N#Cc1ccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2Cc2cccs2)cc1 461478666 JLLFRSSPQNZEOQ-UHFFFAOYSA-N 431.487 5.095 30 20 IKED C[C@H](CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(F)c(Br)c1 462029972 XLISFQNTPDWVJS-OAHLLOKOSA-N 445.332 5.023 30 20 IKED C[C@@H](C(=O)Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1)C(F)(F)F 463751207 DTGNFBWFAWVPLZ-LURJTMIESA-N 432.317 5.150 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H](CC(=O)OC(C)C)C1 463959165 AURIBGGCEZZBHM-OAQYLSRUSA-N 449.551 5.031 30 20 IKED C[C@@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nc(C2CCCCC2)no1 464697337 VKDFQAFVFUYVNU-QGZVFWFLSA-N 430.508 5.059 30 20 IKED CCO[C@@H](CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)C1=CCCC1 465031819 LIDYQXXWVYJOQA-IBGZPJMESA-N 449.498 5.468 30 20 IKED COc1ccccc1-c1ccc(CN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)C(C)C)cc1 465672791 VFWLHRKVLOVDTE-FQEVSTJZSA-N 427.548 5.915 30 20 IKED C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CCC(Oc2cccc(C#N)c2)CC1 466809733 RHASZEGCHDLXQN-AWEZNQCLSA-N 443.334 5.519 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NCC(=O)N(CCC#N)c1ccccc1 467261961 SRLNQIKWNKEJJO-UHFFFAOYSA-N 446.938 5.260 30 20 IKED Cc1nc(-c2ccccc2F)sc1[C@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469165013 YKQJFLHQFXNSEA-INIZCTEOSA-N 448.567 6.014 30 20 IKED C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(F)c(Br)c1 469264141 PZZMIGASJHWYLL-AWEZNQCLSA-N 430.321 5.344 30 20 IKED C[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc2ccccc2s1 470533973 XMQFWDLMANHVIK-MRXNPFEDSA-N 432.549 5.367 30 20 IKED COc1cc(CN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)ccc1OCc1cccc(C#N)c1 477076913 PQFWFEBIZHMYMB-GTJUCTONSA-N 448.588 5.076 30 20 IKED Cc1sc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)nc1-c1ccc(Cl)cc1 480000080 QYOFLUUVWQGIHL-UHFFFAOYSA-N 433.968 5.334 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N(Cc1ccncc1)C1CC1 480782720 XSCOTWNSCVRTSH-UHFFFAOYSA-N 446.576 5.225 30 20 IKED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(Oc3ccccc3)cc2)cc1 481072102 JIBRFWFTYDPTFB-ZWKOTPCHSA-N 449.532 5.047 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc2ccc(Br)cn2n1 482072107 IICZXJFYYZXFQO-UHFFFAOYSA-N 425.739 5.032 30 20 IKED C[C@@H](NC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1cn[nH]c1 482341607 FDLLFYMIRNUOFS-KRTXAFLBSA-N 448.289 5.111 30 20 IKED C[C@H](c1c(F)cccc1F)N(C)C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 482369523 GQWGEAMWJFSTOC-QLJPJBMISA-N 438.343 5.572 30 20 IKED C=C(C)[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1ccc(F)c(F)c1 482614691 ADLPAATXOZRRRM-QHCPKHFHSA-N 425.479 5.093 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4cccc(O)c4)C3)cc2Cl)cc1 483007115 NZRVJAFHVNSVRY-HSZRJFAPSA-N 449.894 5.315 30 20 IKED COc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1sc2c(c1C#N)CCCC2 483075689 PSEHJPNLTKVJFU-UHFFFAOYSA-N 427.913 5.376 30 20 IKED N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1cnc2ccccc2n1 483220945 YHLTVNFCOJVCMP-SFHVURJKSA-N 426.457 5.179 30 20 IKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)n[nH]2)cc1 483443650 DUBHFERUYYOHAV-QGZVFWFLSA-N 434.908 5.352 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(Cl)c3Oc3cccnc3)c2)cc1 483460631 AFQMSSINWAHTBN-UHFFFAOYSA-N 441.874 6.444 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4c(C(F)F)nn(C)c4s3)n2)cc1 483515964 WZDMSQDPBLLFOF-CYBMUJFWSA-N 444.488 5.195 30 20 IKED Fc1cccc(Cc2noc(CN[C@@H](c3ccccc3C(F)(F)F)C(F)(F)F)n2)c1 488254881 SHDPRZNAZKREKP-KRWDZBQOSA-N 433.327 5.212 30 20 IKED CC(C)(C)n1ncc(C(=O)N[C@H](C#N)c2cccc(Br)c2)c1-c1ccccc1 489716321 NDNIEFOLLINZAV-LJQANCHMSA-N 437.341 5.062 30 20 IKED C=CCn1c(SCc2nn(-c3ccccc3)c3c2CCC3)nnc1-c1ccc(F)cc1 499348082 JKWGOPVOZKPBIN-UHFFFAOYSA-N 431.540 5.237 30 20 IKED CCc1nc(C(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)nn1-c1c(Cl)cccc1Cl 499372150 KJZSDVXXBZCKNI-CQSZACIVSA-N 442.350 5.231 30 20 IKED CC(C)c1ccc(-c2noc(CCC(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)n2)cc1 499818465 YTKFFSOXLGMJII-SFHVURJKSA-N 443.334 5.480 30 20 IKED CN(C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)C1CCC(F)(F)CC1 502681731 UUIRXOOBEGPPRF-AWEZNQCLSA-N 432.355 5.918 30 20 IKED N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1cccc(C(F)(F)F)c1 505933290 HCSWIUIJOCOPJY-OAGGEKHMSA-N 428.332 5.089 30 20 IKED CC1(C#N)CCN(C(=O)Nc2ccc(Oc3ccnc4cc(Cl)ccc34)c(F)c2)CC1 506922756 QFLGGUSXSTYSJZ-UHFFFAOYSA-N 438.890 5.977 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 510676125 WKFZUTABFGHDLA-NZQKXSOJSA-N 440.547 5.616 30 20 IKED C=C(C)CN(CC)C(=O)[C@H](C)SCc1csc(COc2ccc(Cl)cc2)n1 511008627 KIQAWOBJOHXQJR-HNNXBMFYSA-N 425.019 5.422 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 511027436 JMNHDDQWTPRELG-UHFFFAOYSA-N 440.547 5.303 30 20 IKED COCCn1cc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c2ccccc21 512805705 KXBPFGYIQLRCCL-UHFFFAOYSA-N 441.506 5.141 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cn4ccc(Br)cc4n3)n2)cc1 513612347 YIIWHZICLQROHD-HNNXBMFYSA-N 437.322 5.019 30 20 IKED N#C[C@@H](C(=O)c1cccc(C(=O)Nc2ccccc2)c1)c1nc2ccccc2n1C(F)F 513664998 AVWIMAZGTBVPOU-SFHVURJKSA-N 430.414 5.174 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ccc(F)cc2)s1)c1nc(O)c2c3c(sc2n1)CCCC3 513667524 UXZBCKBRDDBANF-HNNXBMFYSA-N 449.532 5.633 30 20 IKED N#Cc1c(NC(=O)CCCc2nc3ccccc3s2)sc2c1-c1ccccc1CC2 515626644 WCLPOCYGINTZBX-UHFFFAOYSA-N 429.570 5.956 30 20 IKED CCC[C@@H](CCCS(C)(=O)=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 516536555 BLVQNVXFYSZZNL-RXVVDRJESA-N 447.000 5.175 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OCc4cccs4)c3)n2)cc1 516713811 KGKVRXXODBTNFJ-OAQYLSRUSA-N 441.537 5.812 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@H](C)C(=O)N[C@H]1CCOc2ccccc21 516836288 DAXYSFWWCFJRPX-KOSHJBKYSA-N 427.504 5.099 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C 517422211 MKHLXRNQQSJACZ-IBGZPJMESA-N 432.593 5.981 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CSCC(=O)c1ccccc1 517688112 MJSUWQVRVBVDNN-UHFFFAOYSA-N 432.520 5.155 30 20 IKED N#CCCCOc1cccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)c1 518062215 UBJKOEIULSPNNW-UHFFFAOYSA-N 439.924 5.589 30 20 IKED Cc1ccc(C2(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)CCOCC2)cc1 518372079 BDCHKMJUHSMYLZ-UHFFFAOYSA-N 426.516 5.133 30 20 IKED N#C[C@@H](C(=O)c1cnc2ccccc2c1C(F)(F)F)c1nc2cc(Cl)ccc2s1 518477716 WBBQCFGLPPOMDU-LBPRGKRZSA-N 431.826 6.007 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1nc(-c2ccc(SC)cc2)ns1 520291314 YSARDDXGIMJVTH-UHFFFAOYSA-N 441.538 5.055 30 20 IKED C[C@H]1Cc2ccccc2N1CCNC(=O)c1ccccc1SCc1ccc(C#N)cc1 521588118 QOLFZQTUJYRTJQ-IBGZPJMESA-N 427.573 5.032 30 20 IKED O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 522696652 BWDAVJNOBJZPOF-HNNXBMFYSA-N 426.376 5.583 30 20 IKED CC(C)c1noc(-c2ccc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)cc2)n1 524500508 VDTOIUBNRYWQFR-UHFFFAOYSA-N 438.487 5.563 30 20 IKED CCN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)Cc1cccc(Br)c1 532929343 UQRDVMCQKBCLRX-MRXNPFEDSA-N 446.414 5.304 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](c1ccccc1)[C@H]1CCOC1 537928626 YWXOYVGHKSCLDG-JYFHCDHNSA-N 441.531 5.345 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC1(c2cccc(C(F)(F)F)c2)CCC1 539357057 RDZMXHXZWORHRL-INIZCTEOSA-N 447.526 5.707 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3CCO[C@@H]3c3ccc(F)c(F)c3)c2)cc1 539453837 QLCDWBROFWZWBC-DHIUTWEWSA-N 435.430 5.280 30 20 IKED Cc1c(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)oc2c(Br)cccc12 541113687 QSRQRCYGMBXSER-UHFFFAOYSA-N 439.309 5.059 30 20 IKED CC1(C)CC(/C=C\c2ccccn2)=Cc2c1sc(NC(=O)CNC1(C3CC3)CC1)c2C#N 543452569 HXBMNCNZNDGJTG-TWGQIWQCSA-N 444.604 5.264 30 20 IKED CC1CCN(c2ccc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cn2)CC1 544815536 KBGGQPOTIRRFOV-INIZCTEOSA-N 438.503 5.210 30 20 IKED Cc1cc(Cl)c2ncc(C#N)c(N3CCC(C(=O)c4cc(F)ccc4F)CC3)c2c1 548988750 FMNZDTRSXDHFIO-UHFFFAOYSA-N 425.866 5.446 30 20 IKED N#Cc1ccc(Cl)c(C(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)c1 556878457 YPAUJAHXHJAWKP-UHFFFAOYSA-N 431.801 5.348 30 20 IKED O=C(CC(F)(F)F)Nc1ccc(NC(=O)NCc2ccc(F)cc2C(F)(F)F)cc1 566809227 ZSWWDCWQXWZDQT-UHFFFAOYSA-N 437.315 5.057 30 20 IKED N#CC1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2Cc2ccccc2)CC1 572988790 SWJKPQKQWUPGAM-UHFFFAOYSA-N 433.968 5.601 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1 577537764 FHTQONFWWNEFNJ-QZTJIDSGSA-N 432.549 6.151 30 20 IKED C=CCn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1C[C@@H](c2ccccc2Cl)OC[C@@H]1C 580677376 DOXOLHNWMFBHOF-GIUOSPMZSA-N 445.007 5.003 30 20 IKED N#C[C@H](C(=O)c1cnnn1-c1ccccc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 591862561 VVBQDURTJHRLOJ-CQSZACIVSA-N 440.315 5.188 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)cn2)cc1 603689739 CUBQOBXVEYGTIN-UHFFFAOYSA-N 435.487 5.548 30 20 IKED COc1ccc(CCCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 604085395 DIYYEXGYUNDMQR-UHFFFAOYSA-N 429.520 5.095 30 20 IKED C[C@H](C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F 607789274 BINVNBUDTFSXTK-HBNTYKKESA-N 435.330 5.835 30 20 IKED CC(C)c1ncc(Cl)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)n1 609062244 IFULSRBJAHZAQU-UHFFFAOYSA-N 441.318 5.610 30 20 IKED Cn1ccnc1SCc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)o1 609073379 FBMRIHDHAVPFLW-UHFFFAOYSA-N 444.516 5.008 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3[nH]c4ccc(F)cc4c3Cl)cc2F)c1 609109985 DBCILGGVRINWQT-UHFFFAOYSA-N 437.833 5.802 30 20 IKED C[C@H](C#N)CSc1ccccc1NCc1nc(-c2cc(Br)cs2)no1 609384730 NCSBXQAPRWYZLV-LLVKDONJSA-N 435.372 5.424 30 20 IKED Cc1cccc(Oc2ccc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)cn2)c1C 609666920 OKXUJTQMUHHWHT-UHFFFAOYSA-N 442.519 5.156 30 20 IKED CCN(C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@H](C)c1ccc(F)cc1 609941324 AFRVFZNTHKSYHP-QGZVFWFLSA-N 431.467 5.038 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Nc3cnn(Cc4ccccn4)c3)cc2Cl)cc1 610322243 CDSSXSQWRKVWJJ-UHFFFAOYSA-N 444.882 5.288 30 20 IKED Cc1cccc(COc2ccc([C@@H](C)NC3CCN(c4ccc(C#N)cn4)CC3)cc2)c1 610809769 YEALMNQQIQLMOA-OAQYLSRUSA-N 426.564 5.160 30 20 IKED COc1ccc(CN(C)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC 611856312 WNNNLGWYQGCJMX-GOSISDBHSA-N 429.520 5.145 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 614072949 LBQNCYHLFXSWEH-QGZVFWFLSA-N 441.000 5.020 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 669809299 YGDIHIJOWKKOIC-KRWDZBQOSA-N 449.942 5.222 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1Cl 678728619 KXNKWBDKIIIYTP-RKDXNWHRSA-N 441.721 5.998 30 20 IKED C[C@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ncc(Br)cc1F 681739614 MZKZZDDRDUNAMV-WYOJIJJFSA-N 437.197 5.543 30 20 IKED N#CCOc1cccc(/C=C2\SC(=S)N(c3ccccc3-c3ccccc3)C2=O)c1 725904143 FMGXECXXUKETLI-JWGURIENSA-N 428.538 5.662 30 20 IKED N#C[C@@H](C(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1nc2cc(Cl)ccc2s1 726322940 RZBUJFNBDLOQSJ-AWEZNQCLSA-N 448.891 5.555 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C(C)(C)C)cc2)[n+]2cccc(CO)c2)c1 726572733 LUPFXYXWZPWIDY-UHFFFAOYSA-O 443.592 5.069 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(CC(C)C)cc2)[n+]2ccc(CC)cc2)c1 726573185 PMKWKXCFFLWEIO-UHFFFAOYSA-O 441.620 6.040 30 20 IKED CCOc1ccc(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 728299625 TZSXICMOQQZDAT-QGZVFWFLSA-N 433.483 5.114 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(OCc3ccccc3)nc2)cc1 729187733 IAGWASXFBMZGID-FDDCHVKYSA-N 427.504 5.135 30 20 IKED CCOc1cc(/C=C\C(=O)c2cc(C)cc(C)c2)ccc1OCCn1c([N+](=O)[O-])cnc1C 730435755 AXAFZICELBRESG-VURMDHGXSA-N 449.507 5.090 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cc1 730839705 OTICOYFIYNFVME-UHFFFAOYSA-N 447.991 6.356 30 20 IKED CN(CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)C(=O)OC(C)(C)C 730921300 XOTIHTMEPKBUPT-ZDUSSCGKSA-N 440.352 5.160 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1 730989852 PXPOMCWFOPVLRM-NQIIRXRSSA-N 437.565 5.068 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 731400133 LHJQECTYYKFIKZ-MSOLQXFVSA-N 446.617 5.192 30 20 IKED N#Cc1cccc(OCCCCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 732499062 HXBQECRPHVCKKO-QGZVFWFLSA-N 437.471 5.386 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Cc2csc(-c3ccc(Cl)s3)n2)c1 733770797 HASJFTVTRPYPBZ-HNNXBMFYSA-N 431.970 5.065 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccccc2Sc2ccccc2)c1 733802912 RTYLYXVMSNEXSY-NRFANRHFSA-N 431.561 5.518 30 20 IKED C=CC[C@H](NC(=O)N[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1)c1ccncc1 734659871 IGCRCYAXVVWNMN-FCHUYYIVSA-N 426.347 6.094 30 20 IKED C=CCNC(=O)c1ccccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 734994647 RHRQAEAMKWPDMZ-UHFFFAOYSA-N 431.879 5.172 30 20 IKED N#C[C@H](C(=O)C[C@H]1CCOc2ccccc21)C(=O)Nc1ccccc1Oc1ccccc1 735593369 KJTZXJAJDXJXHJ-WIYYLYMNSA-N 426.472 5.083 30 20 IKED N#Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(-c2ccccc2C(F)(F)F)cs1 735611706 ZMSMIVBHRAPEDU-UHFFFAOYSA-N 443.859 5.155 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(Cl)c2)[n+]2cc(O)cc(Cl)c2)c1 738005829 ANQURCPRJDVVBK-UHFFFAOYSA-O 442.347 5.291 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)/C=C(\C)c2cccc(C(F)(F)F)c2)ccc1OC 742674313 NAMWYJGEGXSCCE-XATQLNLPSA-N 432.442 5.115 30 20 IKED Cc1cccc(Oc2ccc(NC(=O)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)cc2)c1 743073205 PJZZWURDHSKULJ-UHFFFAOYSA-N 442.519 5.264 30 20 IKED CC(C)c1nn(C)c(Cl)c1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 744037710 CDTUEWCSCCHGJW-JTQLQIEISA-N 426.851 5.315 30 20 IKED COc1ccc(N(C(C)=O)c2nc(C=NNc3ccc(C(F)(F)F)cc3)cs2)cc1 746578002 JMOVFHCACPWXBC-UHFFFAOYSA-N 434.443 5.301 30 20 IKED Cc1cc(Br)ncc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 749412217 BLNPSEZKDOOWGI-UHFFFAOYSA-N 438.350 5.569 30 20 IKED C[C@H](C[C@H](O)c1cccs1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 752188800 MBYOOWASJBNNIM-VMRPVKRXSA-N 439.968 5.691 30 20 IKED Cc1cc(/C=C\C(=O)c2ccc3c(c2)CCC(=O)N3C)cc(C)c1OCc1ccccn1 754689663 KNFNDTVBJHRJDI-XFFZJAGNSA-N 426.516 5.083 30 20 IKED Cc1c(C#N)c(NC(=O)CCN[C@H](C)c2csc3ccccc23)n(Cc2ccco2)c1C 754737509 NHYGHSUQFIVPFG-QGZVFWFLSA-N 446.576 5.512 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 759219023 VTXBFBRECSIDIQ-ZWKOTPCHSA-N 425.554 5.166 30 20 IKED Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)Nc1cc(C#N)ccc1OC(C)C 760021310 NTWBMODRIAYRSU-IBGZPJMESA-N 443.979 5.529 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1C#N 761778194 KCHDEKDNKAIKQV-KRWDZBQOSA-N 441.487 5.100 30 20 IKED Nc1c(Br)cc(Br)cc1C=NOc1ccccc1C(F)(F)F 763407323 WCYZBXRHQWNCCI-UHFFFAOYSA-N 438.041 5.226 30 20 IKED CNC(=O)C[C@H]1SC(=Nc2ccc(C(C)C)cc2)N(Cc2ccc(C(F)F)cc2)C1=O 764935381 NTRPAAQNDZAVGW-LJQANCHMSA-N 445.535 5.015 30 20 IKED COc1ccc(CNC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2C)cc1C#N 767941817 CBIHTRNHCJCKQI-UHFFFAOYSA-N 448.910 5.103 30 20 IKED N#C[C@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1cccc(C(F)(F)F)c1 768182326 YXMSADMZFDTCSA-QFIPXVFZSA-N 432.405 5.310 30 20 IKED C[C@H](OC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)c1ccccc1Br 769543885 KOTRTHUGQKOFLR-HNNXBMFYSA-N 439.309 5.136 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H](CC)c2cc(Br)ccc2O)ccc1OC 775521128 RETHIOSIADNLLQ-SJLPKXTDSA-N 433.346 5.085 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@H](C)C(=O)c3ccc(Cl)cc3)n2)cc1 777308868 HHKZUFRQGBVHIB-LIRRHRJNSA-N 438.936 5.557 30 20 IKED CC(=NNc1ccccc1OC(F)(F)F)c1ccc(CNC(=O)OC(C)(C)C)nc1C 777453808 RXHSVFVDRWDYMF-UHFFFAOYSA-N 438.450 5.149 30 20 IKED COc1ccc2ccccc2c1-c1cc(CN2C(=O)CS/C2=C\C(=O)C(C)(C)C)on1 778018896 FUXDPRWXSZBJEO-UUYOSTAYSA-N 436.533 5.035 30 20 IKED N#CCOc1ccc(CN[C@H](c2ccc(Cl)cc2)c2ccc(OC(F)F)cc2)cc1 779093434 QQWLSGSKCDAFAF-JOCHJYFZSA-N 428.866 5.723 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 780502199 XOUYOOCQNPSKDF-OXQOHEQNSA-N 430.895 5.930 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 780675918 WHTRBTKLKAPCRF-AUUYWEPGSA-N 436.512 5.439 30 20 IKED N#C[C@@H](C(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1)c1nc2ccccc2[nH]1 781444501 MDSHALIIKOJEKX-FQEVSTJZSA-N 444.535 5.006 30 20 IKED N#Cc1cc(NCc2ccc(-c3cccc(C(F)(F)F)c3)o2)ccc1N1CCC(O)CC1 781631995 OOTCRWVGERLTFU-UHFFFAOYSA-N 441.453 5.410 30 20 IKED Cn1ncc(NC(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C(F)(F)F 782826125 LGVWBZWFEBEBRF-IHWYPQMZSA-N 431.258 5.128 30 20 IKED C=CC[C@H](NC(=O)C(=O)N[C@@H](c1ccc([C@@H](C)CC)cc1)c1cccs1)c1ccncc1 785552306 TZRHLYSENBQFDE-OEOAZWSVSA-N 447.604 5.296 30 20 IKED FC(F)(F)CC(=NNc1nnc(-c2ccccn2)s1)c1ccc(Br)cc1 788031992 LIJMQBZAYDBBRM-UHFFFAOYSA-N 442.264 5.131 30 20 IKED COc1ccccc1-c1ncc(/C=C2\CCc3nc(-c4ccccc4F)sc3C2=O)cn1 792885083 SQELGNFIBCCUJD-FOWTUZBSSA-N 443.503 5.627 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cnc2c(F)cccc2c1 796746499 LAHPOMZXZURPAT-LJQANCHMSA-N 425.419 5.127 30 20 IKED CCCc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccccc2CC)cc1 797800222 UKWORQYWQPBRMP-UHFFFAOYSA-O 428.581 5.684 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 799424746 PZZLKHOVXLQVPD-IBGZPJMESA-N 429.605 5.697 30 20 IKED CCOC(=O)Oc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 800388091 XYBAQLIUNHLUKQ-CQSZACIVSA-N 434.395 5.340 30 20 IKED O=C1/C(=C/c2cnc(-c3ccc(Br)cc3)s2)C[C@H](C(=O)O)c2ccccc21 806563269 UMMUBMOMKYAGIW-FUNAXGEOSA-N 440.318 5.411 30 20 IKED N#CC1(OCCOC(=O)c2ccc(F)cc2-c2ccc(Cl)c(Cl)c2)CCOCC1 809084355 DHCFXDJLABFKLL-UHFFFAOYSA-N 438.282 5.046 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2c3ccccc3CC23CCOCC3)cc1 810158884 VUSPYYLSZORLCH-UIOOFZCWSA-N 437.543 5.558 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)c1ccc2c(c1)CCCCC2=O)c1ccc(Cl)cc1Cl 810709475 BKMDYWJZTMSEJR-ORAYPTAESA-N 443.330 5.102 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cc(O)cc(C(F)(F)F)c1 811631860 QGCRLMNGGJQACH-UHFFFAOYSA-N 429.423 5.040 30 20 IKED Cc1ccc(Cn2nc(C)c(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)c2Cl)cc1 813216088 FPGUEDUUVBGMNW-MRXNPFEDSA-N 432.833 5.106 30 20 IKED C=C(C)CN1C(=O)/C(=C\c2cccc(NC(=O)c3ccccc3Cl)c2)SC1=S 814290963 UZEIZPRQSVHSAW-WOJGMQOQSA-N 428.966 5.370 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)CCN2c3ccccc3Sc3ccccc32)cc1 861176428 XOZAWFFJWGCXOK-UHFFFAOYSA-N 444.560 5.626 30 20 IKED C=CCn1c(SCC(=O)OCCC(F)(F)F)nnc1-c1ccc(Cl)cc1Cl 913355770 AJDZJYQAKIXTBQ-UHFFFAOYSA-N 440.274 5.026 30 20 IKED Cc1ccccc1CN1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 915353573 PBUADRVMSFLNAV-MHZLTWQESA-N 438.575 5.390 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 915354180 WQIZEPAVSGWMEO-OAQYLSRUSA-N 425.410 5.562 30 20 IKED N#Cc1ccccc1NC(=S)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 915994194 KPOKWNIZXPPANB-UHFFFAOYSA-N 440.450 5.638 30 20 IKED CC1=CC(=O)[C@H](C(=O)/C=C/c2ccc(Oc3cc(C)ccc3C(C)C)c([N+](=O)[O-])c2)C(=O)O1 916136922 FOMWUJQTQIYVAX-OKHPUOTASA-N 449.459 5.047 30 20 IKED CC(C)N(C)c1ccc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F 916571489 GJRYGFGSTXZFNC-IMRBUKKESA-N 443.407 5.701 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCCc1ncc(-c2ccccc2)o1 916904615 HEVOYTZJJJCCRD-OAQYLSRUSA-N 429.520 5.137 30 20 IKED CC(C)c1cccc(N=C2NC(=O)[C@@H](CC(=O)Nc3cccc(C(F)(F)F)c3)S2)c1 917634506 DKFDBVXDGXQPST-QGZVFWFLSA-N 435.471 5.077 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(CCC(C)C)C2=O)c1 917701898 DAERWZAZFGDREG-JOCHJYFZSA-N 448.592 5.182 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCc1ncc(-c2ccccc2Cl)o1 920106118 KWIODPNKGSZKRS-QGZVFWFLSA-N 431.879 5.309 30 20 IKED C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(-c2ccccc2)nc1O 1469266580 LPFXWCFLEILEPO-HNNXBMFYSA-N 425.410 5.027 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)nc4Cl)CCC3)cc2)C1 1785808569 NTTVJSSYACRLIS-UHFFFAOYSA-N 430.335 5.102 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3csc(-c4ccccc4)n3)CCC2)cc1 1785935088 LTJSDMPPMQRSKC-UHFFFAOYSA-N 444.560 5.108 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)c(F)c3)CCC2)cc1 1786367339 LCTWOYJALSWCOK-UHFFFAOYSA-N 444.934 5.210 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4cnccc4n3)cc2)CCC1 1788962425 COZTXOCPYYKYCR-JOCHJYFZSA-N 440.547 5.146 30 20 IKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCC[C@H]5CCCC[C@@H]54)cc3)CCC2)c1 1789191999 RMKCJPSCEVEJQY-WTIAFYNJSA-N 444.579 5.241 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ccc4ncccc4c3)CCC2)cc1 1791298672 OLFIUZNQDGEPAX-UHFFFAOYSA-N 435.474 5.194 30 20 IKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2c(Cl)cccc2s1 1797651504 NPQWFBQAGZZQAS-BJWYYQGGSA-N 428.985 5.000 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 1810175264 UMZDHVAPYQGDPG-JIMJEQGWSA-N 445.607 5.293 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(F)cccc2Cl)n[nH]1 1820428872 CVDURXUSKCTUOA-IBGZPJMESA-N 444.938 5.277 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cccc(C)n2)CC1 1823749708 TTYBVBVFDMASCA-XXFRDUSWSA-N 437.628 5.015 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCc3ccccc32)CC1 1824144920 MXXQXLHLMGSPNP-IZZNHLLZSA-N 434.624 5.105 30 20 IKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1 1828459959 PQHJAVBAWCCWMU-CGBRIMPHSA-N 426.645 5.016 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3sc(C)nc3c2)CC1 1831369988 JGSJPJFIHTZWHX-HTAPYJJXSA-N 439.625 5.050 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3sccc3s2)CC1 1831372841 KNLCJGAPTPPZKJ-FUHWJXTLSA-N 430.639 5.408 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)C1 1843459299 UJYZCKTXUJFZIL-HXUWFJFHSA-N 438.955 5.185 30 20 IKED C=CCn1c(S[C@@H](CCCC)C(=O)Nc2cc(C)on2)nnc1-c1ccc(Cl)cc1 11809928 RJGPJHBFIRYTQA-KRWDZBQOSA-N 445.976 5.371 30 20 IKED C=CCn1c(SCc2nc3ccccc3n2C(F)F)nnc1-c1ccccc1OC 25547082 KPDMUWYVSHIOJZ-UHFFFAOYSA-N 427.480 5.177 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc(Cl)c1OCCC(C)C 60488265 ZFHRNNPVEQFYBJ-OAHLLOKOSA-N 428.941 5.873 30 20 IKED COc1ccc(/C=C2\C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)N(C)CCC#N)cc1 71837101 YZIMKMTWLDCHAY-GMQRBVGNSA-N 425.532 5.352 30 20 IKED CSc1nc(C2CC2)cc(C(=O)O[C@@H](C)c2nc3ccccc3n2C(F)F)c1C#N 105283636 HGBUZLXNAGCMIM-NSHDSACASA-N 428.464 5.215 30 20 IKED N#CCCCOc1cccc(/C=C(\c2nc3ccccc3[nH]2)c2nc3ccccc3s2)c1 207613480 YZXZJJDHKSPLCF-LVZFUZTISA-N 436.540 6.444 30 20 IKED COc1ccc2nc(N(Cc3ccccc3)C(=O)CCc3ccc(C#N)cc3)sc2c1 247982841 YGWRWMOJEYOXQA-UHFFFAOYSA-N 427.529 5.343 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1ccc(OC(F)(F)F)cc1 303420033 YCIHNCKTXUGDSH-HNNXBMFYSA-N 437.487 5.050 30 20 IKED CC(C)CC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1F 303960746 BSOHRDQPQBVKDD-UHFFFAOYSA-N 431.467 5.727 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCO[C@]4(CCSC4)C3)cc2Cl)cc1 426078596 JRVMCJXOBUPILN-VGOFRKELSA-N 443.956 5.180 30 20 IKED CCN(C(=O)c1cccc(SCC#N)c1)[C@@H](c1cccnc1)c1csc2ccccc12 430948400 IWHSRDLESNHTRH-DEOSSOPVSA-N 443.597 6.164 30 20 IKED COc1ccc([C@H](CO)N(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 434219428 DHKLUOFAVLLWNE-UPVQGACJSA-N 449.938 5.201 30 20 IKED C=CCC[C@H](NC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1ccccc1 435094445 BUUNABKOBZVTGY-JTHBVZDNSA-N 437.971 5.505 30 20 IKED O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 435354444 MFGUKWGHTDKBHS-JTQLQIEISA-N 426.357 5.340 30 20 IKED C=CCC[C@H](NC(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1)c1ccccc1 435763652 RBAHAKVOWKYUPZ-CVDCTZTESA-N 438.547 5.076 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)cc1 436351709 JYTKSJABYOUABG-JKIUYZKVSA-N 447.485 5.678 30 20 IKED N#Cc1ccc(F)c(CNC(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)c1 437541529 XDEQAZNJTYYXMJ-UHFFFAOYSA-N 434.418 5.085 30 20 IKED N#Cc1cccc(CCNC(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)c1 439437475 JHXFIHLUKOYNDJ-UHFFFAOYSA-N 443.894 5.311 30 20 IKED N#CCC[C@H](NC(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1)c1ccccc1 440234643 AXWYYGYGXMWIJO-FPOVZHCZSA-N 449.942 5.324 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 441396714 CSVPCZNIKFXGAX-IXDOHACOSA-N 444.000 5.181 30 20 IKED C=CCC[C@H](NC(=O)c1cnc(O)c(Br)c1)c1ccc(C(F)(F)F)cc1 441585646 CPKBSPKHGOEULJ-HNNXBMFYSA-N 429.236 5.006 30 20 IKED Cc1nc(C2CCCC2)sc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 442817814 YVXXQTFQAZTLSM-ZDUSSCGKSA-N 429.517 6.001 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc3ccoc3c2)cc1Cl 443658170 UWWWGNDGTCEBEE-HXUWFJFHSA-N 429.863 5.319 30 20 IKED CC(C)c1ccc(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 446375362 YCZXWHDFCCTITO-UHFFFAOYSA-N 435.471 5.412 30 20 IKED COc1cccc(CO[C@H](C)C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)c1 460338949 NAGBEDUMGXOQMA-GOSISDBHSA-N 434.923 5.359 30 20 IKED C=C(C)Cn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCO[C@H](c2cccc(O)c2)C1 460779971 BFMHIWQDPKQDCU-FQEVSTJZSA-N 445.350 5.112 30 20 IKED C[C@@H](NC(=O)N(C)CCOCc1ccc(C#N)cc1)c1ccc(-c2cccc(C#N)c2)cc1 460886666 WNGWLQOUADKOJB-HXUWFJFHSA-N 438.531 5.016 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](Cc1ccccc1C(F)(F)F)C(C)(C)C 461274268 WNSNREXXDPNFKB-OAQYLSRUSA-N 448.533 5.139 30 20 IKED C[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)Oc1cccc(Cl)c1 461364640 QWDWXUAGTKGOOT-KRWDZBQOSA-N 436.964 5.701 30 20 IKED C[C@H](C(=O)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1)c1cccc(C#N)c1 461897678 DHYIMXPSXDWEEW-AWEZNQCLSA-N 438.409 5.310 30 20 IKED Cc1nc(-c2ccc(CCNC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)s2)cs1 465474836 PWJTXWVQDHUOJR-FPOVZHCZSA-N 436.606 5.204 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 465771455 UZPDVUKOVKPZHR-JWQCQUIFSA-N 444.579 5.187 30 20 IKED C[C@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)Oc1ccc(Cl)cc1 466370396 OUEOOOLMMIJATG-GOSISDBHSA-N 449.938 5.574 30 20 IKED COc1ccc(CN(Cc2ccccc2)C(=O)Nc2ncccc2OCCCC#N)cc1 466599269 TWSPTOZFNVFPAA-UHFFFAOYSA-N 430.508 5.007 30 20 IKED CC[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 467167536 CZFGSCAIWLOEJB-XMMPIXPASA-N 425.532 5.700 30 20 IKED N#C[C@@H]1N(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)CCC[C@]12CCCCO2 468138316 MILFJEKTFZWTJL-FXAWDEMLSA-N 436.364 5.184 30 20 IKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470543620 XEWDFMDUFCBYHM-INIZCTEOSA-N 447.564 5.104 30 20 IKED COC(=O)C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc2ccccc2c1 473679438 VDPZRCMRDBIREY-VGSWGCGISA-N 447.560 5.660 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCO[C@@H](c2cccs2)C1 473786100 LLQLSNZYZZWWEQ-JOCHJYFZSA-N 433.533 5.113 30 20 IKED Cc1nc(CC2CC2)oc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 475347438 AOXMBDIBSBJGSI-UHFFFAOYSA-N 446.454 5.126 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1nc(-c2ccccc2)no1 476192221 CHWSAHTYXBCTAF-HZPDHXFCSA-N 438.578 5.421 30 20 IKED COc1cccc(-c2nnc(SCCCOc3cccc(C#N)c3)n2Cc2ccco2)c1 477556260 ZYADSWIHGNFXKH-UHFFFAOYSA-N 446.532 5.028 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@@H](C)c2oc3ccccc3c2C)nnc1-c1ccco1 480511330 CWBMKJBRLNOCEG-INIZCTEOSA-N 436.537 5.138 30 20 IKED CCN(Cc1cn(CCC#N)nc1-c1ccncc1)[C@H](C)Cc1ccccc1C(F)(F)F 482458355 MDBIZOOZUIDSIA-GOSISDBHSA-N 441.501 5.331 30 20 IKED COc1ccccc1CSc1ccccc1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 482570949 GDLDRFXPKPHPPV-UHFFFAOYSA-N 443.450 5.525 30 20 IKED C=C(C)[C@H](NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1ccc(F)c(F)c1 483307374 WFXTVVIYWDUVEE-ZHRMCQFGSA-N 427.539 5.277 30 20 IKED COc1cc([C@H](C)NC(=O)NC2(c3cccc(C#N)c3)CC2)ccc1OCc1ccccc1 484747349 ZUWGTTQFBMXVAK-IBGZPJMESA-N 441.531 5.195 30 20 IKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C 485917952 NCBXTCOYMSCCCL-DEOSSOPVSA-N 442.519 5.553 30 20 IKED C=CCn1c(SCc2cnn[nH]2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 487178765 VRWACYWDGXXUMJ-UHFFFAOYSA-N 439.548 5.065 30 20 IKED C[C@@H](Sc1nc(C(F)(F)F)ccc1C#N)C(=O)NC(c1ccccc1)c1ccccc1 488802359 QSQPUOVMSZLAID-OAHLLOKOSA-N 441.478 5.358 30 20 IKED Cc1ccc(-n2nc(C)c(CC(=O)N[C@H](C#N)c3ccccc3Cl)c2C)cc1Cl 499948536 WBVVWCXAJGYOSY-OAQYLSRUSA-N 427.335 5.028 30 20 IKED CC[C@@H](C)n1c(SCC(=O)N(CC(C)C)c2ccc(C#N)cc2)nnc1-c1ccccc1 504280591 KCZGTBQRCBMVPF-LJQANCHMSA-N 447.608 5.569 30 20 IKED CC[C@@H](C)n1c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccccc1 504314717 POPLZOSEVAOKDO-CQSZACIVSA-N 425.945 5.172 30 20 IKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)c12 505310208 DVMLCHXNBSAYEA-CQSZACIVSA-N 428.473 5.706 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 507349061 NUPINZNQHBXQAQ-GOSISDBHSA-N 446.576 5.304 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2nc3ccccc3s2)cc1 508246790 GCOQICJOPAMFPY-UHFFFAOYSA-N 444.516 5.633 30 20 IKED C=CCSCCNC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 508909434 VTJMFUSCRLSAAY-HHUWHTLVSA-N 429.470 5.144 30 20 IKED CCN(C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)[C@@H](C)c1ccc(C#N)cc1 509561534 RLEGXKGKKZKDAY-INIZCTEOSA-N 439.968 5.399 30 20 IKED COc1ccccc1N1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 510886366 BXNYOZMDUKODLK-UHFFFAOYSA-N 442.519 5.022 30 20 IKED N#CCSc1cccc(C(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)c1 511047747 NCXUHAPMPGMDOV-SFHVURJKSA-N 438.597 5.218 30 20 IKED CC[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(OC)cc1 511323989 PJFCILQRGRJSPU-XMMPIXPASA-N 429.520 5.613 30 20 IKED Cc1cccc(OC(F)F)c1NC(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 512840433 WMIKAHKEKBVXDC-AWEZNQCLSA-N 440.315 5.623 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)c1nc2ccccc2s1 513652645 BJCSOOWBCXTRDT-INIZCTEOSA-N 444.903 5.885 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2F)C(C)C)nc2sc(C)c(C)c2c1=O 514773898 MIOUSHBVPFXUHR-SFHVURJKSA-N 445.585 5.155 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(c2ncc(C)s2)CC1 515075849 SYGPZUZRFNEYOD-VXKWHMMOSA-N 449.624 5.248 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 517048285 MAEFWGVLMNRDAH-UHFFFAOYSA-N 431.492 5.355 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1 517665222 XVVKBTLNGKEYOZ-OAQYLSRUSA-N 433.335 5.014 30 20 IKED C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(NC(=O)NC2CC2)cc1 518166346 WYTJILWGBKPKTB-CVEARBPZSA-N 437.569 5.105 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1OCc1ccccc1 520940145 GIJHNUYFGMFPGV-LJQANCHMSA-N 431.561 5.982 30 20 IKED CCCCOc1c(Cl)cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1OC 521725906 ICZQAALJVRUZRW-OAHLLOKOSA-N 432.973 6.032 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2nc(-c3ccccc3)cs2)cc1 522236010 NJNLNGRIGMNXKL-UHFFFAOYSA-N 425.513 5.707 30 20 IKED CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 523594494 RDCBPLIPHMZXJC-UHFFFAOYSA-N 425.410 5.044 30 20 IKED CCCOc1ccc(-c2nc(C(=O)Nc3cc(C#N)ccc3OC(F)F)cs2)cc1 524382510 FZHVZQPTTAIIHW-UHFFFAOYSA-N 429.448 5.324 30 20 IKED CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)C(=O)C1CCN(c2oc(C)nc2C#N)CC1 527272610 XSVIKJWWOOAYSR-JOCHJYFZSA-N 442.991 5.360 30 20 IKED C[C@](C#N)(CCc1ccccc1)NC(=O)c1oc2ccccc2c1CSc1ncccn1 533046900 LMIZFBNTYMTDHP-RUZDIDTESA-N 442.544 5.160 30 20 IKED CC1(C)CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)Cc2ccccc21 535486646 RTGAWSGAZCSLPR-UHFFFAOYSA-N 425.532 5.657 30 20 IKED C=C[C@H](CC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1)c1ccccc1 536296105 VBKYHEVUQBJWDX-HUUCEWRRSA-N 426.314 5.036 30 20 IKED CCNC(=O)c1ccc(C)c(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1 536421999 VIMJUOJWVRBQMU-UHFFFAOYSA-N 433.895 5.314 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)cs1 538727768 VOUUYUIYCSFKBR-ZEQRLZLVSA-N 430.577 5.408 30 20 IKED CSc1c(F)cc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1F 541272781 VXMKZUJVNYMHAF-UHFFFAOYSA-N 426.492 5.333 30 20 IKED CCCn1c(C)nnc1CN[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 543053053 VOBLMBMESODGPV-AWEZNQCLSA-N 448.333 5.427 30 20 IKED CC(C)S(=O)(=O)c1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 547447259 MXUNSQZXEPVXHW-SFHVURJKSA-N 444.965 5.136 30 20 IKED CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCC(C#N)(c2ccccn2)CC1 548902097 NFAXJOIUEJRTMB-JOCHJYFZSA-N 434.584 5.225 30 20 IKED Cc1ccc(Oc2ccccc2NC(=O)C(=O)N[C@H](CCCC#N)c2ccccc2)cc1 551597698 UTFVNTMMEAOOKG-JOCHJYFZSA-N 427.504 5.277 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)COc1ccc(Oc2ccccn2)cc1 567501581 LREBCZUHLUIBRI-UHFFFAOYSA-N 435.483 5.358 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 572892601 KENDHWDHEZUICM-UHFFFAOYSA-N 445.420 5.346 30 20 IKED C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCC[C@H]1c1noc(C(C)C)n1 578681381 KGCRISVIHMSAIK-INIZCTEOSA-N 433.343 5.286 30 20 IKED CC(C)Cn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 579256571 XLNLKMWSTXYIJK-UHFFFAOYSA-N 447.558 5.449 30 20 IKED N#CCCn1cc(CNCCc2c[nH]c3cccc(Br)c23)c(-c2ccccc2)n1 582754307 OVVJSEGGBOEFGJ-UHFFFAOYSA-N 448.368 5.040 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccnc2C(F)(F)F)cc1 583717600 XXLMLYVJKBBFAX-UHFFFAOYSA-N 428.389 5.345 30 20 IKED Cc1ccc(-c2cc(C(=O)N[C@@H](C#N)c3ccc(F)cc3)c3cnn(C(C)C)c3n2)s1 590639356 XAJUSBRNZMJIEG-FQEVSTJZSA-N 433.512 5.183 30 20 IKED C=C(C)CN1CCC(NC(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)CC1 592340670 WWGJCSGXPFLRHW-UHFFFAOYSA-N 433.474 5.660 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc4cc[nH]c4c3)s2)c(C(F)(F)F)c1 603672548 MFSREBXTWSMPIN-UHFFFAOYSA-N 426.423 5.358 30 20 IKED CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 603766665 SHQDRVQQIMIDFL-LJQANCHMSA-N 437.908 5.878 30 20 IKED N#CCCCOc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)c1 603972414 FTDOWBPAUKCACD-UHFFFAOYSA-N 428.517 5.536 30 20 IKED CN(Cc1csc(Br)c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604406652 NWAIFUWJPLSCNK-UHFFFAOYSA-N 443.326 5.233 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(Cc2cccc3ccccc23)CC1 609401902 JBXNMFNDXWOEML-HXUWFJFHSA-N 444.604 5.441 30 20 IKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609433950 RXFMKDZENRSJKV-ATIYNZHBSA-N 441.531 5.982 30 20 IKED CCOc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC 609434278 OQYUFIAVGJFWNQ-KRWDZBQOSA-N 431.492 5.641 30 20 IKED COC(=O)C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(SC)cc1 609435461 PNCREOBBHUKNCK-BEFAXECRSA-N 443.594 5.229 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)Nc3ccccc3SC[C@H](C)C#N)ccc21 609651817 RPTQSPCUFFJNGO-CQSZACIVSA-N 446.498 6.140 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCC(=O)Nc2ccc(Cl)cc2)c1 609725078 CCDPVDSWEKBLCW-UHFFFAOYSA-N 440.286 5.026 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(c2ccccc2F)CC1 609928968 PUFXSOSFNSLMMS-UHFFFAOYSA-N 429.495 6.210 30 20 IKED C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 610016531 GGYNRMBAWFAYKY-GOSISDBHSA-N 429.495 5.622 30 20 IKED COc1ccc2c(c1)OCC[C@H]2NC(=O)c1ccccc1SCc1ccc(C#N)cc1 610240961 BRWXDHLXONYRRQ-JOCHJYFZSA-N 430.529 5.113 30 20 IKED C[C@H](NC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1cccc(C#N)c1 610350261 MVLMGDIVGROERP-FQEVSTJZSA-N 435.531 5.030 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC2CCN(c3cccs3)CC2)c1 610671432 QVLMCQRSJVXUKB-UHFFFAOYSA-N 437.952 5.464 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c1C(F)F 611052400 QZWFUXUPPIKUBP-UHFFFAOYSA-N 441.385 5.107 30 20 IKED N#CCCN(C(=O)c1sc(-c2ccccc2)nc1C(F)F)C12CC3CC(CC(C3)C1)C2 614425985 KTKLKHGEKIBZGZ-UHFFFAOYSA-N 441.547 6.072 30 20 IKED O=C(NCCc1ccccc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618918389 KBXTXFBXYJBXLI-TXEJJXNPSA-N 436.318 5.020 30 20 IKED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H](CO)c1ccc(Br)cc1C(F)(F)F 619466123 UJHVPILVBQRLML-RBUKOAKNSA-N 439.275 5.040 30 20 IKED Fc1ccc(CCN2CCC(NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)CC2)cc1 643367022 XVEBVKFLVVTGTK-HZPDHXFCSA-N 440.447 5.332 30 20 IKED O=C(Nc1cc(F)ccc1SCC(F)F)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674568576 LVQQUXBKVCDTKQ-IUCAKERBSA-N 440.331 5.387 30 20 IKED C=CCN(C(=O)c1cncc(COC)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 680884090 LEBUXUKQUCRTLI-UHFFFAOYSA-N 434.348 5.491 30 20 IKED Cc1cc(C)c(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(Cl)c1 728062594 PXULMKJRDNLPBY-SFHVURJKSA-N 433.939 5.847 30 20 IKED Cc1cc(Cl)ccc1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728297840 MCJQHBWBHLVDQZ-MRXNPFEDSA-N 437.902 5.677 30 20 IKED N#C[C@H](C(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(=O)Nc1ccc(Cl)cc1Cl 728766668 FNBJMGFKUYTXCU-KGLIPLIRSA-N 429.225 5.377 30 20 IKED COc1cc(Cl)c(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1Cl 729835580 CWAGGNICNBCQPO-QGZVFWFLSA-N 447.343 5.458 30 20 IKED CC(C)(C)OC(=O)N[C@H](CCC(=O)[C@H](C#N)c1nc2ccccc2s1)c1ccccc1 729890967 SPDFOEZTJOKTHH-ZWKOTPCHSA-N 435.549 5.519 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1nc2cc(F)ccc2s1 730417859 UYBVQDHATNYXHM-HXUWFJFHSA-N 428.488 5.942 30 20 IKED Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c2c1 730989717 NTVDHVKCZOZYGF-SFHVURJKSA-N 438.556 6.109 30 20 IKED Cc1cccc(NC(=O)[C@@H](OC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C(C)C)c1C 732398876 DQIUNYKAMITOQV-DEOSSOPVSA-N 443.503 5.183 30 20 IKED CCOC(=O)c1oc2c(c1C)C(=O)/C(=C/c1csc(-c3cccc([N+](=O)[O-])c3)n1)CC2 733083589 MNODPCKPWZNLEG-UKTHLTGXSA-N 438.461 5.009 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3c(C)oc(-n4cccc4)c3C#N)s2)cc1 733772445 ONFSPWSKQJNZHY-CQSZACIVSA-N 446.532 5.182 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nc2ccccc2s1 734207793 JXMXRUMCBZOBHZ-BEFAXECRSA-N 446.963 6.488 30 20 IKED C=CC[C@@H](NC(=O)NCCCN1c2ccccc2Sc2ccccc21)c1ccncc1 734661126 FXNMQYCEWZPTGX-HXUWFJFHSA-N 430.577 5.691 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](c2ccccc2Cl)C(C)C)ccc1OC 734670173 GGEQVQKSIPYZLS-VGSWGCGISA-N 429.948 5.226 30 20 IKED C=CC[C@H](NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccncc1 735582763 LQJZJLMXHBHJSZ-BVSLBCMMSA-N 446.517 5.100 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C(C)(C)c1cccc(Cl)c1 736916818 JXJQBZQAEPWFDG-HNNXBMFYSA-N 430.957 5.051 30 20 IKED CC(C)N(CCC#N)Cn1nc(-c2ccc(C(C)(C)C)cc2)n(Cc2ccco2)c1=S 739841949 RTQGQIXKBIIWPK-UHFFFAOYSA-N 437.613 5.601 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(N2CCOC2=O)ccc1F 741551183 ZIFKUFGFJDMJMJ-UHFFFAOYSA-N 431.423 5.007 30 20 IKED C=CCn1c(-c2cccc(C)c2)nn(CN(C)Cc2csc([C@@H](C)OCC)n2)c1=S 743376260 XAQSIYCQOICETQ-QGZVFWFLSA-N 443.642 5.219 30 20 IKED C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(Br)s1 744032388 DXDZKSYJLDIEGW-PELKAZGASA-N 446.153 5.268 30 20 IKED C#CCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 744034780 GFHPNBGISCUBDX-QGZVFWFLSA-N 427.312 5.619 30 20 IKED O=c1c2c3c(sc2ncn1N=Cc1cccc(OCc2ccccc2Cl)c1)CCCC3 744597796 ZDVRJJQKYNHSIQ-UHFFFAOYSA-N 449.963 5.451 30 20 IKED C/C(=C\C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1cccc(C(F)(F)F)c1 745488264 UKAMNHDUIKROFI-CNELAYHGSA-N 448.466 5.101 30 20 IKED C=CC[C@H](NC(=O)N(Cc1c(OC)ccc2ccccc12)C1CCCC1)c1ccncc1 745828781 VQAAZCJONNMWQG-VWLOTQADSA-N 429.564 6.015 30 20 IKED CC(=O)CCc1ccc(OCCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 747022045 UONZVDNYJAXSCL-GOSISDBHSA-N 426.925 5.117 30 20 IKED CC[C@H](C)n1c(SCC(=O)[C@@H](C#N)c2nc3ccccc3o2)nnc1-c1ccccc1 750396589 BNDVCEGNDFLQKI-DOTOQJQBSA-N 431.521 5.026 30 20 IKED C[C@@H]1C[C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCN1Cc1ccccc1 750988068 AXRJQQZVJRXNDL-COFKYPDJSA-N 438.575 5.517 30 20 IKED CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=S)Nc2ccc(C#N)c(Cl)c2)CC1 751037626 KUWJLLFWOSYWNT-UHFFFAOYSA-N 449.020 5.020 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCC(=O)c2cc(Cl)sc2Cl)cc1 755164863 GXRZWQXKSMGUNC-GOSISDBHSA-N 443.355 6.312 30 20 IKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H]2CCC(F)(F)C2)c1 763205245 MMVXCAMLHYVKOI-RBUKOAKNSA-N 443.519 5.143 30 20 IKED C=CC[C@@H](N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C)c1ccncc1 766017405 BPXGQCLBHMIQHD-AUUYWEPGSA-N 428.399 6.244 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCC(OCc4ccccc4F)CC3)c2)s1 768728308 HASXSOHDMPDOQI-UHFFFAOYSA-N 449.551 5.317 30 20 IKED COc1ccc([C@H](OC)[C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 772236840 JYVWXATVMDONFO-RIEVBORMSA-N 429.520 5.248 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 773275970 PUKHBAGKIMKFAJ-BSIFCXSSSA-N 427.545 5.340 30 20 IKED C[C@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 777178516 XXEWESWVNBZHLY-LBPRGKRZSA-N 436.817 5.098 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1sc2ccccc2c1C)[n+]1c(C)ccc(O)c1Cl 777510501 JIXOEAWNLJJLDC-UHFFFAOYSA-O 446.017 5.542 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Oc1ccc(Oc2ccc(C#N)cc2)cc1 778023225 HVOZVRNTQUSWSC-AWEZNQCLSA-N 443.425 5.435 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 780681240 OLKBMTIVSNMFTO-JTHBVZDNSA-N 448.567 5.253 30 20 IKED O=C1/C(=C/c2scnc2C2CC2)CN(c2ccccn2)C/C1=C\c1scnc1C1CC1 782325924 ALNRRQDHFXXPPS-BEQMOXJMSA-N 446.601 5.306 30 20 IKED C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2cccc(C#N)c2)cc1 782778255 PIEGVIJIXZMTSM-PMACEKPBSA-N 429.539 5.613 30 20 IKED C#CCNC(=S)Nc1ccc([C@H]2CC[C@H](N(C)C(=O)c3ccc(Cl)cc3)CC2)cc1 785479715 IWIFGZQMDRANCI-LBZQVFOQSA-N 440.012 5.058 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(CNC(=O)OC(C)(C)C)c3)n2)cc1 786931340 WXNOLEWZXNQSJR-HXUWFJFHSA-N 447.560 5.633 30 20 IKED Cc1c(C(=O)/C=C\c2cccc(/C=C\C(=O)c3cnn(C(C)C)c3C)c2)cnn1C(C)C 787187642 UMVFKJQBBJTDMS-MIMPSMLTSA-N 430.552 5.650 30 20 IKED N#Cc1ccc([C@@H](O)C(=O)Nc2ccc(Cl)cc2-c2cccc(Cl)c2Cl)cc1 787857320 GSWCHSLCQGVNFT-HXUWFJFHSA-N 431.706 5.858 30 20 IKED Cc1c(Br)cc(/C=C2\S/C(=N/C3CCCC3)NC2=O)cc1Br 789129882 JPCVJSFALCNHDX-ZSOIEALJSA-N 444.192 5.023 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccc(SC(F)(F)F)cc1 795247498 RRFVBIHJNWOAAU-ZDUSSCGKSA-N 426.485 5.568 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](O)c1cccc(C(F)(F)F)c1 796081949 ZVYFEROTBNGHNZ-JOCHJYFZSA-N 440.421 5.137 30 20 IKED Cc1nn(C(C)C)cc1/C=C1/CC2(CCOCC2)C/C(=C\c2cn(C(C)C)nc2C)C1=O 798370876 ZWHBXVAUMILCKB-ZCJKAFFOSA-N 436.600 5.485 30 20 IKED C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 802571135 KWKZLVIATXSFRK-UHFFFAOYSA-N 439.563 5.004 30 20 IKED N#CCCCOC(=O)CSc1ncnc2cc(-c3ccc(Br)cc3)sc12 804908709 JYBNORSUEBYIQB-UHFFFAOYSA-N 448.367 5.060 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCCn3c(cc4ccccc43)C2)c1=S 808220856 BRJMXNILTVRWLG-UHFFFAOYSA-N 445.592 5.094 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](C)C(=O)N1c2ccccc2Sc2ccccc21 821040251 YYRCKSXEKYCQPO-IRXDYDNUSA-N 444.512 5.087 30 20 IKED COc1ccc(CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1Br 915085236 JBIHNWPDOHCUOG-NRFANRHFSA-N 449.348 5.684 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnc3ccccc3c2C(F)(F)F)cc1 915180985 VBXFFRBDDDDGGP-FQEVSTJZSA-N 431.417 6.161 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(Cc3ccc(F)cc3)CC2)cc1 915352914 KMWPEVCMABBCOZ-SANMLTNESA-N 442.538 5.221 30 20 IKED O=C(/C=C\c1cccc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)c1)c1cccc([N+](=O)[O-])c1 916136441 OOPDJIYKAAERMS-MIMPSMLTSA-N 428.400 5.295 30 20 IKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccccc1Cl 916209095 DVVPSNAESBXAFA-IBGZPJMESA-N 445.972 5.109 30 20 IKED Cc1cccc2cc(C=Nn3c(C)nc4sc5c(c4c3=O)CCCCC5)c(Cl)nc12 916273229 VJRJFDBEPNGHNC-UHFFFAOYSA-N 436.968 5.428 30 20 IKED C[C@H](Sc1ccccc1Cl)C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916846389 SGQCWONBBDETIJ-WCQYABFASA-N 443.981 5.286 30 20 IKED N#C[C@@H](C(=O)/C=C\c1cnc2ccccc2n1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 917031599 ZOKPLGYDKVWNPX-SXWPJGRBSA-N 440.572 5.444 30 20 IKED N#C[C@@H](C(=O)Cn1c(SC(F)F)nc2ccccc21)c1nc2cc(Cl)ccc2s1 917042724 DHPROAABCPRSHU-NSHDSACASA-N 448.907 5.491 30 20 IKED N#C[C@H](C(=O)/C=C\c1nc2ccccc2s1)c1nc2cc(C(F)(F)F)ccc2s1 917042934 JDMFTEFCXIOKFB-XYLWRLHESA-N 429.448 5.814 30 20 IKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)[C@H](C#N)c1nc2ccccc2o1 917510244 ZGRCPYPDIQADDH-INIZCTEOSA-N 439.302 5.356 30 20 IKED C[C@@H](OC(=O)CSCc1ccc(C#N)cc1)C(=O)Nc1ccccc1-c1ccccc1 919207962 SMROKAFTTOTYSV-GOSISDBHSA-N 430.529 5.029 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccccc3-c3ccccc3)n2)cc1 920138818 KJNCZKXODYMMJK-QFIPXVFZSA-N 440.524 5.741 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cccnc3SC(F)(F)F)c2)cc1 920281744 JXROFMZKGRGXPH-UHFFFAOYSA-N 443.450 5.591 30 20 IKED Cc1cc(C)n(-c2ccc(CC(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2)n1 920806866 RQWDCHZTCWSSNY-SFHVURJKSA-N 448.498 5.310 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2nn(-c3ccccc3C)c3c2CCC3)cc1 920874977 IUCWCVCLAXVDEF-VGSWGCGISA-N 440.547 5.144 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@H]4C4CC4)cc3)CCC2)c1Cl 1786056685 VYEVQZFVXOEIAZ-SFTDATJTSA-N 433.939 5.005 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc[nH]c4nccc3-4)cc2)CCC1 1788454353 KFLGIHYJAVEJNK-UHFFFAOYSA-N 430.552 5.255 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ncccc34)cc2)CCC1 1788952193 RLLWCCJIDOCHLP-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4ncoc4c3)cc2)CCC1 1789076881 UDUYTTGWAIJHSM-NRFANRHFSA-N 429.520 5.344 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@]3(F)CCCC=C3F)CCC2)cc1 1789455495 WCXWIYWOVLSFBF-CJFMBICVSA-N 428.523 5.635 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc[nH]c4cc3F)CCC2)cc1 1791300526 NHVWQFZPMSIBKF-UHFFFAOYSA-N 441.453 5.266 30 20 IKED N#CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCCCCCCc2ccccc2)C3)CCC1 1804116415 BWWQIAWURRRWEW-QEIWAGNOSA-N 449.639 5.292 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](c3ccccc3)C(C)C)C2)CC1 1805624365 HLHXLDRSLQDLFJ-LOSJGSFVSA-N 436.640 5.426 30 20 IKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3C)[nH]n2)C1 1814398863 XMJVHDADVINXFS-LJQANCHMSA-N 446.473 5.009 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccccc2Cl)[nH]n1 1814826933 KMAJDATXGULDBC-OAQYLSRUSA-N 440.975 5.066 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(Cl)cc2)n[nH]1 1816929633 GNTSGQHDMJWQRQ-OAQYLSRUSA-N 440.975 5.066 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2F)[nH]n1 1819301761 QXLKTTDBBSABGF-UZLBHIALSA-N 444.938 5.277 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)C1 1823675850 LBJNSXSTVFDEEJ-QHCPKHFHSA-N 439.987 5.021 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3sccn3c2)CC1 1824141645 YTMMLXWKMKPLMQ-QFIPXVFZSA-N 439.625 5.003 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3cc(C)[nH]c23)CC1 1828828126 DJRNWQUUDCLCHB-ILBGXUMGSA-N 447.623 5.478 30 20 IKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C)c3ccccc23)CC1 1832997545 CZOOVNLOSWGWFU-HHHXNRCGSA-N 444.619 5.114 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1cc(-c2cccs2)on1 19357120 DVSWGPXNQNNWKO-UHFFFAOYSA-N 428.514 5.191 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)s1)=C(/S)Nc1cccc2ccccc12 22693417 OTOQPMZWIJJTNU-UHFFFAOYSA-O 431.606 6.111 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2c(C)cccc2C)cc1 22693899 VQGZBBDHIVZFQJ-UHFFFAOYSA-O 425.524 5.482 30 20 IKED C=CCn1c(SCC(=O)N(CCC#N)c2cccc(C)c2C)nnc1-c1cccc(C)c1 97493750 PVDSVHAMKCCXIV-UHFFFAOYSA-N 445.592 5.095 30 20 IKED CSc1nc(C2CC2)cc(C(=O)O[C@H](C)c2nc3ccccc3n2C(F)F)c1C#N 105283639 HGBUZLXNAGCMIM-LLVKDONJSA-N 428.464 5.215 30 20 IKED COc1ccc(-c2nn(Cc3ccccc3)cc2CNc2ccc(CC#N)cc2)cc1OC 237391716 WIPOFGRAHMGVTF-UHFFFAOYSA-N 438.531 5.294 30 20 IKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1ccc(COc2ccccc2C#N)o1 303113431 LIILRPIJCWFGOF-UHFFFAOYSA-N 441.487 5.090 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1 303169182 WLKIBJIDRVBFLW-UHFFFAOYSA-N 440.459 5.334 30 20 IKED CC(=O)Nc1ccc(NC(=O)NCc2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1 410146427 XXGOFEOQIGJBGW-UHFFFAOYSA-N 437.315 5.143 30 20 IKED N#C[C@@H](C(=O)c1ccc(Sc2ccccc2Cl)nn1)c1nc(-c2ccccc2)cs1 426179999 WGIDCCLWCFQWER-HNNXBMFYSA-N 448.960 5.895 30 20 IKED C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1nc(Cc2ccccc2)no1 427221063 XHFSBPFTRHZRPW-KRWDZBQOSA-N 440.528 5.174 30 20 IKED N#CCCn1ncc(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)c1-c1ccccc1 428185894 UQQNZEDQEBLQFO-UHFFFAOYSA-N 435.459 5.118 30 20 IKED Cc1ccc(C)c(NC(=O)Cc2nc(CN(Cc3ccc(C#N)cc3)CC(C)C)cs2)c1 430040392 PRQSDOVAUOLEQF-UHFFFAOYSA-N 446.620 5.471 30 20 IKED C[C@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)Cc2ccccc2O1 432786719 DPEUOXAENFHJEN-KRWDZBQOSA-N 431.467 5.091 30 20 IKED CN(Cc1nc(C(F)(F)F)cs1)C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 433233298 FXYOWJPVEBFVRF-UHFFFAOYSA-N 449.323 5.446 30 20 IKED C[C@H](NC(=O)NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2cccc(C#N)c2)cc1 436350230 UIXIYOHOOAAYPJ-YTJPUZGESA-N 445.485 5.069 30 20 IKED O=C(Nc1ccccc1C#Cc1ccccc1)N(CCc1ccccn1)Cc1ccncc1 436385114 NPBSINRHVJKDSG-UHFFFAOYSA-N 432.527 5.153 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(NC(=O)c3cc(Cl)ccc3O)c(Cl)c2)cc1 436659749 AFJZDFXUNBQAQY-UHFFFAOYSA-N 440.286 5.270 30 20 IKED C[C@@H](Sc1ccccc1)c1ccc(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)cc1 439021806 QRIIFYKNAZVOCK-QGZVFWFLSA-N 439.544 5.432 30 20 IKED COc1cccc(C2(F)CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)c1 439491056 AADQMWCEAALLDN-KRWDZBQOSA-N 427.545 5.440 30 20 IKED CCCc1c(NC(=O)c2cccc(-c3nc(C)cs3)c2)cnn1-c1cccc(C#N)c1 440095626 LCLTWOWEWHCLGC-UHFFFAOYSA-N 427.533 5.381 30 20 IKED C=CCC[C@H](NC(=O)N1CCC(Cc2nccn2C)CC1)c1ccc(C(F)(F)F)cc1 441529823 BBVKGQBSFFFLIV-FQEVSTJZSA-N 434.506 5.111 30 20 IKED CCCN(C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@@H](C)c1cc2ccccc2o1 441737114 MHVLHFJWJNIMPC-AWEZNQCLSA-N 443.425 5.262 30 20 IKED CC(C)(c1ccccc1)c1nnc(NC(=O)c2cn(CCCC#N)c3ccccc23)s1 444174709 HMZJMGJOVHUKGF-UHFFFAOYSA-N 429.549 5.375 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3ccc(C(F)(F)F)cc3Br)on2)c1 448181940 VONWPJHJMJEEOZ-UHFFFAOYSA-N 436.187 5.247 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)c1 464229908 RYXPZDPDXAAAHX-INIZCTEOSA-N 428.875 5.724 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3coc(-c4ccccc4)n3)c2)cc1 466057041 JZWDQDXQFWGYFF-UHFFFAOYSA-N 438.487 5.308 30 20 IKED N#C[C@@H]1N(C(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)CCC[C@@]12CCCCO2 468637393 FTEHADURQBTXQG-UGKGYDQZSA-N 446.334 5.248 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3C[C@H]3c3ccccc3C(F)(F)F)ccc21 469968989 IGDQXJKZUDEZPQ-OALUTQOASA-N 441.453 5.031 30 20 IKED Cc1ccccc1-c1nc(CSCC(=O)Nc2ccccc2SC[C@H](C)C#N)no1 471443292 VZRSPMMCICUREW-OAHLLOKOSA-N 438.578 5.169 30 20 IKED FC(F)(F)c1cc(CNC2CC(N3CCC(C(F)(F)F)CC3)C2)cc(C(F)(F)F)c1 475347411 AKYYERVLNDVJDL-UHFFFAOYSA-N 448.373 5.619 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccnc(Oc2ccc(OC)cc2)c1 475579528 VLVAUSUTBQWTQN-UHFFFAOYSA-N 431.536 6.056 30 20 IKED Cc1c(COC(C)(C)C)cccc1NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 475979884 WHZWONKMCVKGSD-UHFFFAOYSA-N 435.568 5.694 30 20 IKED Cc1ccc(-c2cc(C(=O)Nc3ccc(C#N)c(C#N)c3)c3cnn(C(C)C)c3n2)s1 477418573 OCZHVGLEIQRBNU-UHFFFAOYSA-N 426.505 5.045 30 20 IKED N#CCCCOc1cccc(CNCc2cc(Br)ccc2Br)c1 479612851 ITDPXLSYCCIGJO-UHFFFAOYSA-N 438.163 5.184 30 20 IKED N#Cc1cc(Cl)ccc1CNC1(c2ccc(OCc3ccccc3)cc2)CCOCC1 480867272 LQMCSRPZCOGULK-UHFFFAOYSA-N 432.951 5.586 30 20 IKED O=C(Nc1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(C(F)(F)F)c1)c1ccoc1 481177388 PZEIJMLPPATOKJ-UHFFFAOYSA-N 446.278 5.359 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N(Cc2ccccc2)C(C)C)nnc1-c1cccs1 481387580 BWRATGANRSFQNJ-QGZVFWFLSA-N 426.611 5.110 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3F)s2)nnc1-c1cccc(C)c1 484502987 OORDLRUQRQEPHW-HNNXBMFYSA-N 437.569 5.950 30 20 IKED CC(C)(C#N)c1ccccc1CNc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 486588010 VJKGOJQQEJGZHC-UHFFFAOYSA-N 440.515 5.352 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(COc2c(C#N)cnc3ccc(C)cc23)cs1 488279589 PFGRLSYLJGKUPG-UHFFFAOYSA-N 432.480 5.274 30 20 IKED Cc1ccc(C[C@H](C#N)Sc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)cc1 488912973 OXZUNDKAXODTSM-OAQYLSRUSA-N 431.952 5.518 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)NCc2ccccc2CN2CCCCCC2)c1 493964992 KINSQLNWDLRSET-UHFFFAOYSA-N 443.547 5.036 30 20 IKED C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)[C@H]1OCCc2sccc21 494997394 PEWQMCMZUUKIIL-BXKMTCNYSA-N 449.551 5.173 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2coc(-c3ccc(F)cc3)n2)cc1 499111165 LPIRTOZOHCPSRY-UHFFFAOYSA-N 441.462 5.307 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c(C)c1 499767889 IRDMHHOPBLLMRE-QGZVFWFLSA-N 430.595 5.215 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](c1ccccc1)c1cccnc1 503369759 UVBNYNQGTUKVMS-MHZLTWQESA-N 448.526 5.752 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccccc4)nc3C)n2)cc1 505716308 GLYVMTOZJUYVRN-OAQYLSRUSA-N 425.513 5.679 30 20 IKED CC(=O)Nc1cc(NC(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)ccc1F 506305734 HLSDOCNTDBSEEG-OAHLLOKOSA-N 437.315 5.228 30 20 IKED C[C@H](NC(=O)c1cc(C#N)ccc1Cl)c1cccc(NC(=O)Cc2ccccc2F)c1 506352598 ILINVYQZXMDFAY-HNNXBMFYSA-N 435.886 5.023 30 20 IKED N#Cc1ccc(OC2CCC(NC(=O)c3ccccc3SCc3cccs3)CC2)nc1 509946835 ZMPRPOGUPISEBT-UHFFFAOYSA-N 449.601 5.427 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3[nH]2)cc(OC)c1OC 509957935 LWZITZDRUPWHSR-UHFFFAOYSA-N 447.922 5.881 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2cc3cccc(OCC)c3o2)cc1 511015144 OPLVAZMGQBBJFJ-SFHVURJKSA-N 447.535 5.528 30 20 IKED CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc21 513130991 ASXLYXLSMSHBJW-UHFFFAOYSA-N 439.515 5.249 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2ccccc2OCc2cccc(Br)c2)n1 513676450 FNOSQPSOOYTSLD-QGZVFWFLSA-N 427.323 5.283 30 20 IKED CCN(Cc1cnc2ccc(C#N)cn12)[C@@H]1CCSc2ccc(Br)cc21 513716635 FRLCWELTZWCFLL-GOSISDBHSA-N 427.371 5.027 30 20 IKED C=CCN(C(=O)C[C@H]1CCO[C@H](C(C)C)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514155769 KUJMPXXUVARYPC-JXFKEZNVSA-N 429.542 5.079 30 20 IKED Cc1nc(-c2cccc(NC(=O)c3ccccc3Sc3ccccc3C#N)c2)oc1C 515587155 IMWLXOTVERTNKX-UHFFFAOYSA-N 425.513 6.234 30 20 IKED Cc1cc(Br)oc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 515652207 BGVCQRNUBYAVNI-UHFFFAOYSA-N 425.282 5.248 30 20 IKED Cc1ccc(NC(=O)[C@@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(F)c1 518667219 YKDOCOWDOSIXDN-CYBMUJFWSA-N 425.451 5.598 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 519061625 YZDIYOWEOCMFMA-GOSISDBHSA-N 430.508 5.202 30 20 IKED CC(C)CCc1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 520138812 DOOCYHSGPVPCJE-UHFFFAOYSA-N 432.524 5.250 30 20 IKED N#C[C@H](C(=O)c1cc(Br)cc2ccccc12)c1nc2ccccc2n1C(F)F 521658889 ACVLVCSRQHRTDL-MRXNPFEDSA-N 440.247 5.837 30 20 IKED C=CCN(C(=O)c1ccc(-c2ccco2)nc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 523184081 IHJKVOYGULXMOR-UHFFFAOYSA-N 446.488 5.515 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)NCCOc2ccccc2-c2ccccc2)c1 523273861 DHKHBBDQVVBDQT-UHFFFAOYSA-N 438.483 5.206 30 20 IKED CC[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 524913089 BLDWWBVWFRKILQ-DOTOQJQBSA-N 425.916 5.027 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1 538350998 SRUGDYMENDKELW-GGAORHGYSA-N 438.405 5.028 30 20 IKED N#C[C@H](C(=O)c1ccc(-n2ccnc2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 539465273 FUTKQLZSDUPCAD-QGZVFWFLSA-N 439.327 5.793 30 20 IKED Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 542023213 KCUCNQRWRIMICD-NRFANRHFSA-N 447.514 5.979 30 20 IKED CC(C)NC(=O)Nc1ccc([C@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 542106678 ODMIMXPJRUIPIV-UXHICEINSA-N 426.564 6.167 30 20 IKED O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CCSC1 544012668 HSGGOKDCPCEHJS-CPCISQLKSA-N 425.316 5.197 30 20 IKED N#Cc1cc(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)ccc1Cl 544444660 XCHMRXKTFGJRCJ-UHFFFAOYSA-N 445.693 5.418 30 20 IKED N#Cc1ccc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)cc1Cl 548303601 DMVLACZDLFEVCZ-UHFFFAOYSA-N 430.895 5.054 30 20 IKED N#CCC1CCN(c2nnc(-c3cc(Cl)ccc3Cl)n2Cc2cccs2)CC1 555437751 YZVACZSNOPZRTD-UHFFFAOYSA-N 432.380 5.492 30 20 IKED Cc1cccc(C)c1[C@@H](C)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 564511606 XIPBVVRCZKCOHM-OAHLLOKOSA-N 449.498 5.144 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C)c(OC(F)F)c(C)c3)n2)cc1 567416859 JMWJGKNSTMAIOX-KRWDZBQOSA-N 428.460 5.527 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1ccc(Oc2cccnc2)cc1 568439991 HJFHHEXHUBNKRX-RTBURBONSA-N 446.576 5.415 30 20 IKED CCc1onc(-c2ccc(Br)cc2)c1C(=O)Nc1cc(C#N)c2ccccc2n1 568797585 FHJPSUMTMSRTPF-UHFFFAOYSA-N 447.292 5.339 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(Br)cc1 573048765 SGXUAIWWHDUKDY-CQSZACIVSA-N 437.297 5.391 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCc2c[nH]c3ccc(F)cc23)cc1 580059137 ULBMLIDVLTXXOF-UHFFFAOYSA-N 442.494 5.316 30 20 IKED O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 586182430 UDYNVVWVKZTOCC-BGOOENEXSA-N 448.329 5.334 30 20 IKED N#Cc1c(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)sc2c1CCCC2 603564078 GDMXTRSDQDSSHR-QGZVFWFLSA-N 448.375 5.049 30 20 IKED N#Cc1ccc(F)c(CSc2nccn2-c2ccc(C(=O)NCc3cccs3)cc2)c1 603725938 NRHOSZNGZHFVRL-UHFFFAOYSA-N 448.548 5.167 30 20 IKED COc1ccc(CCCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC 604460656 PUCQQGKUTZCRNK-UHFFFAOYSA-N 431.492 5.122 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CNc1cccc(C(F)(F)F)c1 609156779 STMFBMTVALTQEQ-UHFFFAOYSA-N 426.398 5.123 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COc1ccc(OCc2ccccc2)cc1 609370973 NTOQDZKVEMFLBM-LJQANCHMSA-N 432.545 5.535 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)cc1 609465999 ZOZOAZRKGZSXJR-MOPGFXCFSA-N 429.520 5.079 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC[C@@H]3CCCO[C@@H]3c3ccccc3)cc2)cc1 609501923 JQIWGTLZQXIYLU-JYFHCDHNSA-N 426.516 5.443 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCCN(c3ccccc3)CC2)c1 609723689 TVJWCBQDKJWSEY-UHFFFAOYSA-N 431.923 5.356 30 20 IKED Cc1cc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)ccc1OC1CCOCC1 609980329 FEUOKKDIDCUPAK-UHFFFAOYSA-N 446.478 5.608 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)cc1 610097466 GFGARJSVBSCVSW-VWLOTQADSA-N 445.494 5.099 30 20 IKED Cc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1OCC1CCOCC1 610155271 FUOAJTBNWKMJII-UHFFFAOYSA-N 446.503 5.096 30 20 IKED CN1CCC[C@@H](CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)[C@@H]1c1cccs1 610180954 YCWKJBTULVXHRF-SQJMNOBHSA-N 445.588 5.419 30 20 IKED C[C@@H](NC(=O)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1cccc(C#N)c1 610356418 REZLMOXGMKWONZ-VOIUYBSRSA-N 447.922 5.133 30 20 IKED C[C@H](NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1cccc(C#N)c1 610363589 MFEMIHSZYLZKGQ-HNNXBMFYSA-N 448.320 5.064 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 610599125 BFRHRCNDHWVLFH-RBUKOAKNSA-N 441.478 5.741 30 20 IKED C[C@@H](NC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)c1cccc(C#N)c1 613303508 LWYNSOCIYPJJEV-CQSZACIVSA-N 436.874 5.486 30 20 IKED N#CCCCn1cc(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ccccc21 618179603 KPGVDBHIOINXJE-FICVDOATSA-N 445.407 5.584 30 20 IKED O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1cc(F)c(F)c(F)c1F 636479154 UTMJHMSATZUBEA-UHFFFAOYSA-N 434.336 5.561 30 20 IKED O=C(NCCCCCc1ccc(F)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 681665344 YGZDDWBBDZYJOC-GJZGRUSLSA-N 428.392 5.311 30 20 IKED CN1CCCc2cc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)ccc21 726077215 OUKISGAMSSQRII-UHFFFAOYSA-N 428.511 5.314 30 20 IKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N/[C@H](C)c1cccs1 726421263 OZJNYZSNWMBBAC-NYEWQZJRSA-N 433.574 5.077 30 20 IKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc(Cl)s2)[n+]2cccc(O)c2)cc1Cl 726571423 IGCCLSLJTBOUDB-UHFFFAOYSA-O 449.364 5.243 30 20 IKED Cc1c(C(=O)NC[C@@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)oc2c(F)cccc12 728971238 BELGVFCGAVICAQ-GOSISDBHSA-N 449.322 5.079 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)c1ccccc1SCC#N 730242929 DKWHWEOADRPCOL-ZDUSSCGKSA-N 427.982 5.879 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)COc1ccccc1OCc1ccccc1 730917788 SACRVQHIBSNEOQ-NRFANRHFSA-N 438.483 5.026 30 20 IKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3Cl)o2)cc1C 730937552 WLPYNMUIVNEKJB-UHFFFAOYSA-N 426.929 5.046 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C1(c2ccccc2F)CCCC1 731061487 CHSZOLZCAOSXAG-KRWDZBQOSA-N 440.540 5.071 30 20 IKED CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)S/C1=N\[C@@H](C)c1cccs1 731313459 ZIJLSZHZNOZGIF-CJCAPXLESA-N 445.610 5.034 30 20 IKED N#Cc1ccccc1COc1cccc(CNCc2ccc(Br)cc2F)c1 732231388 SHWRCLHRYGZXTE-UHFFFAOYSA-N 425.301 5.329 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)ccc1OC 733276996 JOOBYZLMCGEOAR-QFIPXVFZSA-N 431.536 5.022 30 20 IKED C=CC[C@@H](NC(=O)N[C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21)c1ccncc1 734669368 UXSRYHMQMWHXND-TZIWHRDSSA-N 434.565 5.208 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1cccc(Cl)c1Cl 734978792 BWAOWNMIKUKXTD-UHFFFAOYSA-N 426.229 5.700 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)NCc3cccc(NC(=O)C4CCC4)c3)c2)s1 740030966 NYWUQMVNCJRTNQ-UHFFFAOYSA-N 444.560 5.025 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(C3SCCS3)cc2)cc1F 742960429 GVZIUBZRCDMUOG-UHFFFAOYSA-N 436.533 6.221 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1Cl 744033909 YPZZIHAJXJVFCF-BZUAXINKSA-N 437.710 5.106 30 20 IKED N#C[C@@H]1C(CN(Cc2ccccc2)Cc2ccccc2F)=CC(=O)n2c1nc1ccccc12 746155871 BHTYMDCFOOEFMG-JOCHJYFZSA-N 436.490 5.065 30 20 IKED O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccncc1)c1ccc(Cl)c([N+](=O)[O-])c1 747003510 ILTVRGAROSYPDG-CLFYSBASSA-N 430.851 5.392 30 20 IKED N#C[C@H](C(=O)CCCOc1ccccc1Cl)C(=O)Nc1ccc(SC(F)F)cc1 748003662 GGLZFRGIPREBAX-OAHLLOKOSA-N 438.883 5.161 30 20 IKED COc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3cccc(F)c3)s2)c(OC)c1 750933408 GHTLGUHEPXIHMQ-UHFFFAOYSA-N 440.525 5.001 30 20 IKED N#Cc1cc(NC(=O)NOCc2cccnc2)ccc1Oc1ccc(C(F)(F)F)cc1 756791841 XSZUDLIULVJTLU-UHFFFAOYSA-N 428.370 5.018 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)c3oc4ccccc4c3COc3ccccc3)CCO2)c1 762312658 OADOQRQPNFLOSA-VWLOTQADSA-N 438.483 5.097 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2cc(NC(=O)CCC)ccc2Cl)cc1OC 764560300 AHBPYYNOUKRMNX-WQLSENKSSA-N 428.916 5.304 30 20 IKED N#Cc1ccc([C@H](O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)cc1 764714270 DHQLDLUMYCCJEI-OAQYLSRUSA-N 432.936 5.285 30 20 IKED C[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 766623037 MVLQHITVDUXECH-HZMBPMFUSA-N 440.124 5.207 30 20 IKED C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 766725299 XTFVWVWCCYHBLW-UZUQRXQVSA-N 434.536 5.232 30 20 IKED Fc1ccc(-c2nc(C=Nn3cnnc3SCc3ccc(Cl)cc3)cs2)cc1 767199639 SXDBCMAQJRFPFD-UHFFFAOYSA-N 429.933 5.369 30 20 IKED O=C(COC(=O)c1ccc(F)cc1C(F)(F)F)Nc1ccc(Cl)cc1C(F)(F)F 768101179 RQYJHIKYWCWRRV-UHFFFAOYSA-N 443.702 5.312 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 768969656 LTEFACGJEDUTSR-DEOSSOPVSA-N 426.476 5.447 30 20 IKED N#C[C@@H](C(=O)/C=C\c1ccc(Cl)nc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 772639505 HBVNBVYFBJWCKN-RJEGFHPBSA-N 434.735 6.055 30 20 IKED C=CCOc1cccnc1C(=O)O[C@@H](C)C(=O)N1c2ccccc2Sc2ccccc21 775108518 XXJAGQHBNBQGNZ-INIZCTEOSA-N 432.501 5.021 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C 778263528 VGUQKNJBFSAWDG-KRWDZBQOSA-N 438.528 5.084 30 20 IKED C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(-c2ccco2)nn(CN2CCC(CC#N)CC2)c1=S 781572530 RLIHHSUHLVFAPS-GTAWCEEGSA-N 425.602 5.254 30 20 IKED CN(C)c1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N(C)C2(C#N)CCC2)cc1 781800690 ZFCXWOVHLBIYJM-JZJYNLBNSA-N 436.559 5.306 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1c(F)cc(C#N)cc1F 782143011 KWZNEYSNNJIRFI-UHFFFAOYSA-N 440.862 5.119 30 20 IKED C#Cc1cccc(N(CC)C(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)c1 786889993 TXSBASTWMPNWRD-UHFFFAOYSA-N 428.319 5.401 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)c1cc(Br)cs1)c1ccc(Cl)cc1Cl 787048327 AXZCLGIDKFMLSS-UFBFGSQYSA-N 446.153 5.017 30 20 IKED COc1cccc(NC(=O)/C(=C/c2cnc(-c3ccco3)s2)C(=O)c2ccccc2)c1 789129299 DNFRTURCYQMIKR-XSFVSMFZSA-N 430.485 5.317 30 20 IKED C=CCOc1ccccc1CN(C(=S)Nc1ccsc1)c1ccc2c(c1)OCCO2 790302578 SKTPUVKJYIBYON-UHFFFAOYSA-N 438.574 5.488 30 20 IKED O=C(O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1nc(Br)ccc1F 791629176 UUUNJBOMCMCVOI-LBPRGKRZSA-N 446.116 5.462 30 20 IKED C[C@@H](C#N)Oc1ccc(CNc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)cc1 793595704 VUXPYFXWISOQLR-RXFWQSSRSA-N 425.532 5.567 30 20 IKED CCCCCCCS(=O)(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 799642227 VUOJDVCCWJYKRX-UHFFFAOYSA-N 432.464 5.263 30 20 IKED CCOC(=O)Oc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 799897495 VYIXKVYABVXMLT-OAQYLSRUSA-N 434.879 5.783 30 20 IKED CC(C)(C)OC(=O)NCCC[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)c1ccccc1 811869089 CKNLRXIIHXFWJI-QGZVFWFLSA-N 434.462 5.430 30 20 IKED COc1ccc(/C=C(/Cl)c2nc3ccc(Br)cc3o2)cc1OCCCC#N 812248875 SYCJNWUVCDADOW-XNTDXEJSSA-N 447.716 6.018 30 20 IKED CSc1ccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)s1 814729464 QSEPYGAFFITHQF-UHFFFAOYSA-N 431.995 5.752 30 20 IKED N#C[C@H](C(=O)CCc1cc(C(F)(F)F)ccc1Br)c1nc2ccccc2o1 815915710 XAYFCMKGFGVLLV-CYBMUJFWSA-N 437.215 5.418 30 20 IKED N#Cc1ccc(OCCSC2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(F)cc2)cc1 849191714 QZSUHDQWNSEXQM-XQNSMLJCSA-N 443.503 5.253 30 20 IKED O=C(c1ccc(CNc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)cc1)N1CCCC1 864029476 AAZGSPIRMZVCNF-UHFFFAOYSA-N 448.382 5.824 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\C(=O)c1ccc(CC(=O)O)cc1 915105842 HASVSQSTXXZPMR-KHPPLWFESA-N 429.303 5.070 30 20 IKED COc1cc(Br)c(/C=C\C(=O)c2sccc2Br)cc1OC 915112554 DGYNXSQZEBHBHN-ARJAWSKDSA-N 432.133 5.186 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CCSc3nc4ccccc4s3)cn2)c1 915198638 MHVWCVFZTDHKIP-UHFFFAOYSA-N 432.530 5.476 30 20 IKED CCN1C[C@H](CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)Oc2ccccc21 915352960 PLCZUCCDLDLVAU-ZEQRLZLVSA-N 440.547 5.093 30 20 IKED CC[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1 915752662 MLDYULMCQOJZMP-DHIUTWEWSA-N 431.923 5.201 30 20 IKED CC[C@H](C)c1ccc(N=C2NC(=O)[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)S2)cc1 916232951 WEUBCTNGXZTFMJ-UGSOOPFHSA-N 449.498 5.467 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(-c2ccc(Cl)cc2)s1 916927751 CQOZOYJYUSJEJC-CQSZACIVSA-N 449.746 6.336 30 20 IKED N#C[C@@H](C(=O)CCCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1Cl 916931484 LUWJFCSKKVQEAB-ZDUSSCGKSA-N 444.145 5.970 30 20 IKED Cc1cc(C)n(-c2ccc(CC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)n1 916976466 OWXXFZOOTJRYAA-OAQYLSRUSA-N 446.963 5.685 30 20 IKED CCc1cccc[n+]1/C(C(=S)Nc1ccccc1C#N)=C(/O)c1ccc(C(C)C)cc1 917612052 DDTPRLZNNRURJL-UHFFFAOYSA-O 428.581 5.855 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)/C=C\c2ccc(Br)o2)cc1 917804201 MAEZBOWQLQUROG-BENRWUELSA-N 437.293 5.339 30 20 IKED CCSCc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 918487879 REXGSYAUXWQMSM-NRFANRHFSA-N 430.529 5.693 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCCCc1ccc(Br)cc1 920103879 FWXAVPRFJYBESA-IBGZPJMESA-N 437.337 5.543 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(F)c(Br)c3)n2)cc1 920143404 WLBNMVVBPUTINW-OAHLLOKOSA-N 440.297 5.002 30 20 IKED C[C@@H](OC(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12)C(=O)Nc1ccccc1C#N 920586589 PICFRXAAELJUNL-MRXNPFEDSA-N 439.446 5.097 30 20 IKED CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1cccc(OCc2ccccc2C#N)c1 920635732 LWURTVPYTSSRFG-KRWDZBQOSA-N 446.528 5.043 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C\C(=O)c1ccc(N2CCOC2=O)cc1 920749100 CSXHUTQIYIVHDJ-KTKRTIGZSA-N 442.302 5.340 30 20 IKED Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 921011237 POMJHWDLSJTIHG-UHFFFAOYSA-N 428.879 5.750 30 20 IKED Cc1csc(SCc2ccccc2C(=O)NCCSCc2ccccc2C#N)n1 921198285 KWAKKYIVFPEYMF-UHFFFAOYSA-N 439.631 5.279 30 20 IKED COc1ccccc1-c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(O)n1 1124973818 MCYFVYPSOWQASZ-HSZRJFAPSA-N 435.483 5.371 30 20 IKED CC[C@H](OCCN(Cc1ccc(C#N)cc1)c1ccc2nc(O)[nH]c2c1)c1ccccc1 1307545947 KOMTUZGYSYEHAI-VWLOTQADSA-N 426.520 5.315 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)Cc3cc(F)ccc3Cl)cc2)CCC1 1786623646 QZULKCDRNICQDE-UHFFFAOYSA-N 446.975 5.075 30 20 IKED O=C(C#Cc1ccccc1)NC1(c2ccc(NC(=O)c3cccc4cnccc34)cc2)CCC1 1789326599 MQZAKGGIBQYTLU-UHFFFAOYSA-N 445.522 5.034 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)nn3C(F)F)CCC2)cc1 1789626381 LOJDWKPJDISVGT-UHFFFAOYSA-N 444.526 5.327 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cccc4ccoc34)cc2)CCC1)C(F)(F)F 1790956429 HPLNHVDYDBNNEF-UHFFFAOYSA-N 428.410 5.299 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccncc3C(F)(F)F)CCC2)cc1 1791727497 SSWMBZWVVMQKSN-UHFFFAOYSA-N 443.469 5.042 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)c2ccc(C)cc2)[C@@H]1c1cccnc1 1802500625 AWQLTRAMEPSGEG-IEZKXTBUSA-N 447.623 5.192 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cccc(-c4cnco4)c3)CC2)C1 1804866821 OSHUMVQMSWOATR-UHFFFAOYSA-N 449.595 5.179 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc4ncccc4c3)C2)CC1 1806390067 VNPNBAJRYQYFNB-UHFFFAOYSA-N 447.623 5.001 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(CCC)cc2)[C@@H]1c1cccnc1 1810174532 NZZKPSHAUZLEEC-JIMJEQGWSA-N 445.607 5.122 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C[C@H](C)c2ccccc2)[C@@H]1c1cccnc1 1810503091 NEOUGRPIOTZUGE-PMWMKWCKSA-N 447.623 5.274 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2C)[nH]n1 1821929161 VQGYKTQJVSUZMX-AUUYWEPGSA-N 448.489 5.255 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)ccc2C)CC1 1823894940 ZOVGYTNEMZMEFK-UPVQGACJSA-N 426.576 5.136 30 20 IKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CC3CCCC3)CC2)c(Cl)c1 1826264883 XJDDVTJYOJRREF-QHCPKHFHSA-N 442.003 5.025 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C(F)(F)F)CCC2)CC1 1826761258 IIHYBAYKAXVNBF-VQTJNVASSA-N 440.550 5.107 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(C)ccc3[nH]2)CC1 1828122897 PFDWTZYTQZHHCZ-BVAGGSTKSA-N 447.623 5.478 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)ccc(Cl)c2F)CC1 1831375958 HXSGFVZEWDTCHR-DNVCBOLYSA-N 438.946 5.064 30 20 IKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 1831851631 OJCWEBFGAJQLJC-FQEVSTJZSA-N 435.395 5.030 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cc3c(ccc4ncccc43)s1)C2 1844202798 BMNAMFCDZBNQQR-GOSISDBHSA-N 445.588 5.035 30 20 IKED N#CCCN(C(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccccc1 21672002 AOXZFKNFDWGBRL-UHFFFAOYSA-N 448.548 5.536 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2C)[n+]2ccc(C(C)(C)C)cc2)cc1 22695803 RJGJZTIOEUDIJL-UHFFFAOYSA-O 447.624 6.030 30 20 IKED C=CCn1c(SCc2ncc(-c3cccc(Cl)c3)o2)nnc1-c1ccc(OC)cc1 24047546 NMFMOYCWMZNJNA-UHFFFAOYSA-N 438.940 5.740 30 20 IKED C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(NC(=O)C2CC2)cc1 30394629 DOIZBECUVBUGOS-QGZVFWFLSA-N 441.556 5.549 30 20 IKED COc1ccc(COc2cccc(F)c2)cc1NC(=O)CSCc1ccc(C#N)cc1 63613169 NIYMPPRUGLZESE-UHFFFAOYSA-N 436.508 5.157 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1 303312014 REUVQQNRTYPCPP-INIZCTEOSA-N 449.605 5.127 30 20 IKED CCOc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 303333207 KBJPSGBVOHSSCT-VWLOTQADSA-N 427.504 6.118 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 429707236 YMSCAWRCAJECNB-WIYYLYMNSA-N 437.906 5.028 30 20 IKED COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc(C#N)cc2Cl)cc1 430363324 GNSOTKLFLYFWGA-UHFFFAOYSA-N 442.906 5.384 30 20 IKED CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1cc(C#N)ccc1F 430675099 LJZCMWOEFMYCGU-UHFFFAOYSA-N 432.282 5.713 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3nc(-c4ccc(O)cc4)cs3)c2)c1 439538238 YSBZIKWYLDWGTK-UHFFFAOYSA-N 427.485 5.219 30 20 IKED CCCc1c(NC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cnn1-c1cccc(C#N)c1 439668558 NYSQHYKGVWJKJO-JOCHJYFZSA-N 433.943 5.719 30 20 IKED CCCc1c(NC(=O)c2ccc(OC3CCCC3)c(OC)c2)cnn1-c1cccc(C#N)c1 440077594 KDUVFPVVTAZMKJ-UHFFFAOYSA-N 444.535 5.279 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CCc1nc(-c2ccoc2)no1 460148701 GIPLSFKMAIKCRH-UHFFFAOYSA-N 432.867 5.021 30 20 IKED CCCNc1ccc(C#N)cc1NC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 461702464 NZKLPWDPQYRUAD-UHFFFAOYSA-N 437.503 5.658 30 20 IKED C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1SCCC#N 463860160 PVTRTIOTMUKSCO-FQEVSTJZSA-N 443.572 5.421 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)Nc2cccc(C3CCC3)c2)cc1 464117281 SAHAMUVUUWSIEW-UHFFFAOYSA-N 441.487 5.204 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)c1C#N 464159932 UQYQOYITTSPNBV-UHFFFAOYSA-N 436.924 5.646 30 20 IKED C[C@@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)Oc1ccccc1Cl 466179660 VGUWMJCXRKTNGI-INIZCTEOSA-N 448.910 5.053 30 20 IKED C=C(C)Cn1c(SCC(=O)N2CC[C@@H](c3ccccc3)C[C@@H]2C)nnc1-c1ccco1 466891695 SXCWULJBBHTVPK-AZUAARDMSA-N 436.581 5.001 30 20 IKED CCN(C(=O)c1cc(COc2c(Cl)cccc2Cl)on1)[C@H](C)c1ccc(C#N)cc1 467810838 XNQRNCIDELVPOG-CQSZACIVSA-N 444.318 5.655 30 20 IKED Cc1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1OCC1CCOCC1 469474882 RZAVYJSTYYWMNU-UHFFFAOYSA-N 431.536 5.311 30 20 IKED Cc1c(COc2ccccc2)cccc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 472879485 MYTOAUVOGYQONR-AHWVRZQESA-N 425.532 5.878 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4nc(C(F)(F)F)cn4c3)n2)cc1 473489876 RGHIUZURTNCHRB-OAHLLOKOSA-N 426.423 5.275 30 20 IKED COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 474438442 JVELEJFHOZUUJC-LJQANCHMSA-N 442.544 5.618 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1 476128129 BDRWTTJOHHLOFK-LJQANCHMSA-N 440.609 5.354 30 20 IKED N#C[C@H](C(=O)c1cnc(Cc2ccccc2F)s1)c1nc2ccccc2n1C(F)F 478101180 KLUPYBPRQUAVPL-CYBMUJFWSA-N 426.423 5.108 30 20 IKED Cc1ccc2c(NCc3cccc(Cn4ccnc4)c3)c(C#N)cnc2c1Br 479941868 QXKFNUPEKBYMAL-UHFFFAOYSA-N 432.325 5.034 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 480574762 BIURIDYVCOPGRL-GDLZYMKVSA-N 445.009 5.929 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1nc(-c2cccc(C)c2)no1 481337508 JLDLARJGELWHMV-UHFFFAOYSA-N 433.537 5.002 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@](C)(CO)c1ccc(Br)cc1 482044475 FQBVOYMZAGOHSX-QFIPXVFZSA-N 431.374 5.330 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@@H](CCC)c2ccc(F)cc2F)nnc1-c1ccco1 482813510 UQQQXFPILXGFOV-SFHVURJKSA-N 446.523 5.142 30 20 IKED Cc1ccc(-c2nc(CC(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cs2)cc1 487316492 CIJAAEJLUZGIAZ-UHFFFAOYSA-N 430.558 5.219 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(OC(F)F)c(F)c2)cc1C 498786776 YXUXNPDELFBDCG-UHFFFAOYSA-N 428.414 5.073 30 20 IKED CC(C)(c1ccccc1)c1nnc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)s1 503499350 SEVVVVGMTXYMAN-UHFFFAOYSA-N 429.549 5.057 30 20 IKED Cn1cc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c(C2CCCCC2)n1 505313257 FNNGDSHMYLXFOD-XMMPIXPASA-N 428.536 5.041 30 20 IKED C=CCn1c(SCc2nc3cc(Br)ccc3o2)nnc1-c1ccccc1 505448553 BMOXUNYVOMGZSS-UHFFFAOYSA-N 427.327 5.327 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@H](C#N)c1ccccc1Cl 505639642 QDUBFKXLBNORCI-QGZVFWFLSA-N 444.343 5.610 30 20 IKED Cc1ccccc1[C@H]1CCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 508358265 LJGCSVIGEMMLMF-SFHVURJKSA-N 435.578 5.032 30 20 IKED CN(CCCOc1ccc(F)cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509853614 MZDPMNRUVALUDB-UHFFFAOYSA-N 447.510 5.404 30 20 IKED Cc1c(Br)cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-] 511883185 BPRAYXZLVLBDEW-AWEZNQCLSA-N 442.294 5.279 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)CCc3cc(Br)cs3)cc2)ccn1 516822208 MQXVJHJRUCPCTQ-UHFFFAOYSA-N 428.311 5.141 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1OC1CCCC1 517800926 QDOMWNAQVLUKMO-FQEVSTJZSA-N 443.528 5.502 30 20 IKED Cc1ccc(-c2ccc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c(F)c2)cc1 518046812 UNRXMRWICUJBAP-UHFFFAOYSA-N 441.506 5.164 30 20 IKED C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 518147781 JIVIPEBCJFALEH-SUMWQHHRSA-N 447.482 5.558 30 20 IKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 518207800 VWERIKUHJJEAHK-QHCPKHFHSA-N 429.495 5.370 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 518259423 KYACAQPERMYOMA-QGZVFWFLSA-N 431.005 5.330 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ccc2nc(C(F)F)[nH]c2c1 518539873 WQLPXOPASGOHLN-UHFFFAOYSA-N 434.421 5.667 30 20 IKED Cc1cc(C)n(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2)n1 519941831 YAVPMQLKBOIYKL-KRWDZBQOSA-N 434.471 5.381 30 20 IKED Cc1c(C(=O)Nc2ccccc2SCCC#N)nnn1-c1ccc(-c2ccccc2)cc1 520879174 PZQDDHOIRFNMID-UHFFFAOYSA-N 439.544 5.501 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCC2 521055305 HYCLHNDZSSBKAH-CQSZACIVSA-N 445.569 5.791 30 20 IKED Cc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)s1 523948354 UGRIGVHTCVZMAC-AWEZNQCLSA-N 425.941 5.911 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)NCCCc3nc(-c4ccncc4)cs3)c2)cc1 524112042 LWTOAPVVHUUIMY-UHFFFAOYSA-N 439.544 5.183 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 524315983 DMWPMCLVGPMCGH-UHFFFAOYSA-N 426.451 5.050 30 20 IKED CC(C)(C)CC(=O)Nc1ccc(CC(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1 525043645 FYMYVHPDBDOHBB-UHFFFAOYSA-N 431.561 5.843 30 20 IKED CSc1nc(O)c(C(=O)N[C@H](c2ccc(Cl)cc2)c2ccccc2Cl)cc1C#N 525390601 MMWQCVSNMZAKHU-GOSISDBHSA-N 444.343 5.207 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N 532490921 PCTIXQYIVJCKNT-CVEARBPZSA-N 435.515 5.731 30 20 IKED N#CC1(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(Cl)cc2)CC3)CCOCC1 533871507 JPAJAGGIHICQLW-OBGWFSINSA-N 443.934 5.178 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)[C@H](OC3CCOCC3)c3ccccc3)c2)c1 534633182 HTTXWIXSJLAPCE-AREMUKBSSA-N 442.515 5.013 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)C3(c4ccc(F)cc4F)CCOCC3)c2)c1 534816909 RJYDYJNAHFKINL-UHFFFAOYSA-N 448.469 5.102 30 20 IKED CN(Cc1ccc(Cl)c(F)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 535678941 FFPYKSKJMJKHIC-UHFFFAOYSA-N 437.902 5.788 30 20 IKED Cc1c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cccc1-c1ccccn1 535857433 YOVGFWJOGYOULN-UHFFFAOYSA-N 432.483 5.433 30 20 IKED C[C@@H](NC(=O)c1ccccc1Oc1ccccc1C#N)c1ccc(NC(=O)NC2CC2)cc1 538677747 CMBDABAIROKBRB-QGZVFWFLSA-N 440.503 5.125 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)Cc3cccc(OCc4cccnc4)c3)c2)cc1 538858848 SKJDPQAUFMTGRR-UHFFFAOYSA-N 435.483 5.506 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCO[C@@H](C4CCCCC4)C3)c2)cc1 542632434 CYRMLVJBSPAYGY-RUZDIDTESA-N 433.552 5.145 30 20 IKED Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 542944772 AGJKWEHPEYSWQD-UHFFFAOYSA-N 438.274 5.267 30 20 IKED COc1ccc(C2(C(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)CCOCC2)cc1 548625447 XMFYYVCRTUCFSP-UHFFFAOYSA-N 428.488 5.046 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3ccc(SCc4ccccc4)cn3)CC2)c(F)c1 552114576 QQZNUSYUTUOMFN-UHFFFAOYSA-N 446.551 5.240 30 20 IKED CCN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(c1ccccc1)c1ccccc1 557553175 BEVYJEIESUNINC-NRFANRHFSA-N 443.616 6.131 30 20 IKED COc1cnc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c(Br)c1 575364524 VSVLXKUFYAUKAP-UHFFFAOYSA-N 440.322 5.128 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N1CC2(CCC2)c2c(F)cccc21 586850745 HFMKDYXWCHINPR-RYUDHWBXSA-N 438.387 5.687 30 20 IKED C=CCn1c(SCc2csc(-c3ccccc3F)n2)nnc1-c1ccc(OC)cc1 590449943 TUHFRQWAXZBTSP-UHFFFAOYSA-N 438.553 5.695 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cc1c(C)nn(CC(C)C)c1C 603533004 LJFVMQLUCXSMEZ-UHFFFAOYSA-N 432.543 5.251 30 20 IKED N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1nc2ccccc2n1C(F)F 603846320 OJHMTQJBOIJINV-QGZVFWFLSA-N 448.385 5.622 30 20 IKED CCN(C(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(Br)cc1 603957976 TWRNGZSUGYNOOI-UHFFFAOYSA-N 425.282 5.159 30 20 IKED Cc1oc(-c2ccccc2)nc1CC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 603992505 WVSZDPMQPAGCPE-UHFFFAOYSA-N 425.513 5.530 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(OCc2cccnc2)cc1 604358312 VSTMIBUAKKXDEX-UHFFFAOYSA-N 435.483 5.885 30 20 IKED O=C(Nc1ccc(C(F)(F)F)cc1Cl)N1CCC(C(F)(F)F)(C(F)(F)F)C1 605033107 LUHPOZSARYFCGG-UHFFFAOYSA-N 428.682 5.707 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3csc(-c4ccc(Cl)cc4Cl)n3)[nH]c12 605363130 KKOVBQFUXFXBIO-ZDUSSCGKSA-N 427.316 5.792 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1 608916926 XWCSJIAXYFXFFF-UHFFFAOYSA-N 440.503 5.673 30 20 IKED COc1ccc2cc(CN(C)CC(=O)Nc3ccccc3SC[C@@H](C)C#N)ccc2c1 609384825 CGPQBTNHXVJIJY-SFHVURJKSA-N 433.577 5.171 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2SC[C@H](C)C#N)c(OC)c1 609403166 XYMYJXRAFZPUHY-UZLBHIALSA-N 425.554 5.325 30 20 IKED CCOc1cc(CN(C)C(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OC(F)F 609435455 PEVREAHYCBDUMI-HNNXBMFYSA-N 449.523 5.745 30 20 IKED N#C[C@@H](NC(=O)CCc1cccc(OC2CCCC2)c1)c1ccccc1Br 609590083 BYBXEXRDJKVDAH-OAQYLSRUSA-N 427.342 5.084 30 20 IKED C[C@@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nc2ccccc2n1C(F)F 609641453 VFRKLHPUIUDVMB-MRXNPFEDSA-N 446.457 5.373 30 20 IKED C[C@@H]1CCCN(Cc2csc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)n2)C1 609660482 WCXYHPLUBXYGQA-GOSISDBHSA-N 446.576 5.078 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)Nc3ccc(NC[C@@H]4CCCO4)c(F)c3)cn2)c1 610094050 DYKOWKAKLVIOCI-FQEVSTJZSA-N 447.470 5.120 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)Nc3ccccc3OCC3CC3)s2)cc1 610142199 ZYBGWOUZOJQPAG-UHFFFAOYSA-N 437.550 5.135 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)CC1 610156898 FJOVHMHNKOYJQD-WXDAQCLHSA-N 444.453 5.067 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)N(C)Cc1cccc(C#N)c1 610163571 ZFZCIZKRFHXUPR-UHFFFAOYSA-N 427.483 5.223 30 20 IKED C[C@@H](NC(=O)Nc1cccc(CN2CCCC2=O)c1)c1ccc(-c2cccc(C#N)c2)cc1 611814636 VVCJKGWFGMWPHU-LJQANCHMSA-N 438.531 5.230 30 20 IKED N#C[C@H](C(=O)c1csc(Cc2ccccc2)n1)c1nc(-c2ccc(Cl)cc2)cs1 613319442 DVEKQOUXZKNIAL-QGZVFWFLSA-N 435.961 6.001 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2cn(-c3ccc(C)cc3)nc2-c2ccccc2)cc1 614999842 GCVJFQWKBMIVHG-UHFFFAOYSA-N 436.515 5.016 30 20 IKED O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1cccc(C#Cc2ccccn2)c1 640551649 OLUMWYWSBYUCEV-UHFFFAOYSA-N 434.524 5.039 30 20 IKED O=C(Nc1ccc(OC2CCCC2)c(F)c1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674570747 PRQOWPFGZVIYDI-STQMWFEESA-N 428.348 5.352 30 20 IKED C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 681497250 KYPXTFQQDVOHCB-XWIASGKRSA-N 434.327 5.264 30 20 IKED COc1ccc(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1F 726472387 NABTZIJLHWXRBJ-UHFFFAOYSA-N 427.888 5.961 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(CCC)[C@@H]2CCc3ccccc32)c1=S 726588384 HYJBQEWPWWASGT-JOCHJYFZSA-N 434.609 5.633 30 20 IKED Cc1ccc(COc2ccc(C[C@H](C)NC(=O)c3ccccc3SCC#N)cc2)cc1 727111144 VKNOGPUFCFNYDM-FQEVSTJZSA-N 430.573 5.551 30 20 IKED COC(=O)c1occc1/C=C\C(=O)c1sc(-c2ccc(Br)cc2)nc1C 727780326 LHFGKQYIUOZDRJ-YVMONPNESA-N 432.295 5.157 30 20 IKED COc1cccc([C@@H](C#N)NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)c1OC 729427177 HEKQBDAPXLDAAB-JOCHJYFZSA-N 442.471 5.024 30 20 IKED Cc1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1C 730375259 FUQKGRSEIYFYAW-KRWDZBQOSA-N 432.451 5.291 30 20 IKED COc1ccc(C(=O)/C=C/c2cccc(OCCCc3ccccc3)c2)cc1NC(C)=O 731937841 NEKRJHJUPQRHHV-FYWRMAATSA-N 429.516 5.561 30 20 IKED CCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 731975411 JTSDIWNCFFXAFH-UHFFFAOYSA-N 433.895 5.200 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)c1 735173547 IAXPRIVMNABMRQ-NRFANRHFSA-N 445.567 5.481 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)/C=C\c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 735792510 LUUYWZBTMCNXHW-IYKSTZQJSA-N 437.343 5.799 30 20 IKED N#Cc1ccc(-c2cccc(CNc3cnn(Cc4ccccc4)c(=O)c3Cl)c2)s1 739890419 KMJJEFFCMJQBNN-UHFFFAOYSA-N 432.936 5.157 30 20 IKED Cc1cc(COc2ccc(/C=C\C(=O)c3cccc(-c4ccncc4)c3)cc2)oc1C(=O)O 741474170 VKUDVEXCJHORNM-YFHOEESVSA-N 439.467 5.823 30 20 IKED C#CCOc1ccccc1CNC(=O)N(C)[C@H](C)c1ccc(-c2ccccc2OC)cc1 743613996 RRNSPEQCXPDWQS-HXUWFJFHSA-N 428.532 5.277 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)o1 744035690 OXYNNONGXKNHCC-ZDUSSCGKSA-N 431.901 5.057 30 20 IKED CCN(Cc1ccccc1NC(=O)N[C@H](CCC#N)c1ccccc1)C(=O)OC(C)(C)C 748609507 DJPYVYFRGJIMIA-OAQYLSRUSA-N 436.556 5.610 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2ccccc2)C(=O)N[C@H]1c1ccc(C#N)s1 749014847 PAXVOBUHDIIZTF-QFIPXVFZSA-N 431.492 5.026 30 20 IKED CN(C(=O)c1ccccc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C1CCCCC1 752647976 IRMLAZVTQDFHBN-UKILVPOCSA-N 444.579 5.395 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N 754222071 VVIGERWCIZMWIS-UHFFFAOYSA-N 440.569 5.265 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCNc2ccc(-c3ccccc3)nn2)cc1 754433960 FNNSSCPDHYSGIN-XMMPIXPASA-N 448.530 5.033 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCc3cc(Cl)sc3Cl)n2)cc1 756244407 PBCYGJBHEFGRHK-OAHLLOKOSA-N 446.384 6.249 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)Nc1ccccc1S[C@H](C)CC#N 756489569 PXTWDMOQHBJLOT-AOIWGVFYSA-N 446.617 5.380 30 20 IKED CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cnn(CCC#N)c1-c1ccccc1 759084907 YTERCGZUSSIQIB-MOPGFXCFSA-N 444.535 5.161 30 20 IKED CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)C1 759220203 BZJZAPOHOOJLSA-ZFWWWQNUSA-N 433.961 5.163 30 20 IKED C[C@H](C#N)Oc1ccc(CN[C@@H](c2cccc(F)c2)c2cccc(Br)c2)cc1 759289392 DEOJOSCYZHLJNB-WAIKUNEKSA-N 439.328 5.758 30 20 IKED Sc1nnc(-c2ccccc2Br)n1N=Cc1cc(Cl)cc2cccnc12 763140922 PXDVPMHXAQASAE-UHFFFAOYSA-N 444.745 5.080 30 20 IKED C=CC[C@@H](NC(=O)N(Cc1ccccc1Br)C1CCCC1)c1ccncc1 769106642 CBXXGJPNTNMCLO-OAQYLSRUSA-N 428.374 5.616 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)cc1 769224099 VUKXXQJRQNIVHQ-XMMPIXPASA-N 443.497 6.332 30 20 IKED C=CCOc1ccccc1CN(C(=S)NC(C)(C)CC)c1ccc2c(c1)OCCO2 774152517 JCDZHYYSAOUPBJ-UHFFFAOYSA-N 426.582 5.092 30 20 IKED C#CCOc1ccccc1NC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 775946203 OEOMUNDDJOMOJF-OAHLLOKOSA-N 426.925 5.267 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(C#N)c(F)c2)ccc1OCC(=O)Nc1ccccc1 776728164 FDMHRFCVMOUEBS-XYOKQWHBSA-N 444.462 5.010 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H](c2cccc(F)c2)c2cccc(Cl)c2)ccc1OC 779101411 NCLBONABUBVVIG-RDGATRHJSA-N 438.930 6.048 30 20 IKED Cc1ccc(C2(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)CCOCC2)cc1 779197918 OOOJEUJYZDPPFW-QGZVFWFLSA-N 438.499 5.321 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 780675391 WEQQMGSQCHASTH-ZWKOTPCHSA-N 447.535 5.169 30 20 IKED Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1ccccc1S[C@H](C)CC#N 782277424 PNUGXJNQPAUYKU-GFCCVEGCSA-N 432.571 5.445 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Cc2csc3ccc(Br)cc23)c1 791592176 HNSYAPQHKFWFDC-KRWDZBQOSA-N 443.366 5.204 30 20 IKED Cc1ccc(Oc2ccccc2NC(=O)COC(=O)C[C@@H](CC#N)c2ccccc2)cc1 795991742 OUEQGXDYHHXCSM-OAQYLSRUSA-N 428.488 5.357 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc2c(Cl)cccc2n1CC(F)(F)F 807542063 KAXBAXUMVFDKCD-UHFFFAOYSA-N 447.804 5.068 30 20 IKED Cc1cc(NCc2ccc(Cl)nc2C(F)(F)F)c(C(=O)NCC(F)(F)F)cc1F 811787132 FNMAVLMZPOCTJC-UHFFFAOYSA-N 443.750 5.106 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)c1cc(C(F)(F)F)ccn1 813215637 IUKZXDSQUFZYCZ-VSKRKVRLSA-N 436.433 5.659 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)Cc1c[nH]c2cccc(Cl)c12)c1ccc(Cl)cc1Cl 816038691 DLCRNPONFPIZEW-XHDPSFHLSA-N 448.737 5.257 30 20 IKED O=C(/C=C\c1ccccc1OCc1ccccn1)c1ccc(-c2ccc(C(=O)O)o2)cc1 819841158 QGXRRZWTUXETHI-SEYXRHQNSA-N 425.440 5.515 30 20 IKED CC(=O)N[C@H](CC(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1ccccc1 915102923 LCWIWKATKAMGBA-PSVYDJGESA-N 447.604 5.055 30 20 IKED Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1cc2ccccc2nc1Cl 916276536 AXDCMZSCUZBRCU-UHFFFAOYSA-N 434.739 5.624 30 20 IKED N#C[C@H](C(=O)CCCOc1ccc(F)cc1)C(=O)Nc1ccccc1Oc1ccccc1 916909874 REJLTRXRCLJCND-OAQYLSRUSA-N 432.451 5.125 30 20 IKED COc1cccc(NC(=O)/C(=C/c2cnc(-c3ccccc3)nc2)C(=O)c2ccccc2)c1 917142584 IVKUFTOAGGKOAZ-BUVRLJJBSA-N 435.483 5.057 30 20 IKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2cccc(C(C)C)c2)[n+]2cccc(C)c2)C=C1 917614835 KKMUGRIYYUYXRH-UHFFFAOYSA-O 446.596 5.500 30 20 IKED C[C@H](OC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)Nc1sc2c(c1C#N)CCCCC2 919368719 IKSXLNMLUYYALW-MELADBBJSA-N 442.503 5.128 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)COc3c(Cl)cccc3Cl)n2)cc1 920141718 HPCGEANTVBAWCD-CQSZACIVSA-N 433.316 5.381 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(Cc4ccccc4)n3)n2)cc1 920142821 STUVQWINWJSKGQ-FQEVSTJZSA-N 440.553 5.148 30 20 IKED CSc1nc(O)c(C(=O)N2CCCC[C@H]2CCSc2ccc(Cl)cc2)cc1C#N 1440096352 NBXDIEYVULEGNG-INIZCTEOSA-N 448.013 5.211 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H](F)c4ccccc4)cc3)CCC2)cc1 1786613363 NNBAQXSKHQTJSL-XMMPIXPASA-N 441.506 5.211 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cccc4ccoc34)cc2)CCC1 1790953685 XTCKYLZGWXEOEI-UHFFFAOYSA-N 432.520 5.163 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@]4(F)CCCC=C4F)cc3)CCC2)cc1 1792380588 WQGOAURPSBAHMM-SANMLTNESA-N 449.501 5.246 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2sccc2Cl)[C@@H]1c1cccnc1 1802496661 RLZDEAWUNUWGBN-IEBWSBKVSA-N 446.016 5.109 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccccc3o2)n[nH]1 1818627206 NJBMGFMKODSZFU-FQEVSTJZSA-N 432.524 5.230 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(C)(C)C)cc2)n[nH]1 1821149560 VSLRBBCGUKROSI-UWJYYQICSA-N 438.572 5.105 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2F)CC1 1830083177 NRSNIZMGBNPGPM-OAQYLSRUSA-N 432.555 5.191 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)CC1 1830424199 UQWYPWRTSQZJGU-OAQYLSRUSA-N 438.603 5.424 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)Sc2cccs2)CC1 1831373952 VLEXCPGKWOIGOE-CMKODMSKSA-N 434.671 5.061 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2c(C)cccc2C)cc1 11153503 CFICKMGSLIQEJY-UHFFFAOYSA-O 425.524 5.482 30 20 IKED C=CCn1c(SCc2ccc(C(=O)Nc3ccccc3)cc2)nnc1-c1ccoc1C 11382499 TXYITYQQKLOHBQ-UHFFFAOYSA-N 430.533 5.577 30 20 IKED C=CCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14724201 WEMAOKFTTDGKHL-UHFFFAOYSA-N 433.411 5.570 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccccc1OC 16863545 JONZWUGOCPCDHT-OAHLLOKOSA-N 442.972 5.221 30 20 IKED CCN(CC)Cc1ccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)cc1 26284588 RTZXOHJFUJRIJN-UHFFFAOYSA-N 429.589 5.481 30 20 IKED Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)N[C@@H](C)c2ccc(C#N)cc2)n1 58550895 WDBONOPOUFTWEZ-HNNXBMFYSA-N 427.430 5.262 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cccc(COCc2ccccc2)c1 63401783 HYVKUKZXFAGRNU-UHFFFAOYSA-N 425.532 5.173 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cc(OC)ccc1OC 96951953 XIRPUASSOMLQPE-UHFFFAOYSA-N 431.945 5.006 30 20 IKED N#Cc1c(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)sc2c1CCCC2 106111049 WESCXDMKAOUOGQ-UHFFFAOYSA-N 427.982 5.380 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)cc1OC 109249867 MEMASFITGUMNAQ-HKFHZZIHSA-N 448.563 5.235 30 20 IKED CCOC(=O)C1C/C(=C\c2ccc3ncccc3c2)C(=O)/C(=C/c2ccc3ncccc3c2)C1 207763086 HZOPUFXPYVPSHQ-DFEHQXHXSA-N 448.522 5.792 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCOc2ccccc2-c2ccccc2)cc1 303017124 QCTUPTSQLFZLPF-UHFFFAOYSA-N 438.449 5.585 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)N[C@H](C)c1ccc(Br)cc1 303366808 RIEBOBCSGCBZLH-LSDHHAIUSA-N 432.387 5.133 30 20 IKED Cn1cc(-c2ncc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)s2)cn1 303483933 UJHBLZFSVXUCDO-GOSISDBHSA-N 433.924 5.105 30 20 IKED Cc1ccc(SCC(F)(F)F)c(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c1 303757971 GYBHGXYEWSPKNS-UHFFFAOYSA-N 449.498 5.315 30 20 IKED CCCOc1ccccc1Oc1ncccc1C/N=C(/N)Nc1ccc(OC(C)C)cc1 303874227 CXFGSQKEDWNYBF-UHFFFAOYSA-N 434.540 5.377 30 20 IKED C[C@H]1CCCCN1Cc1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1 428245055 DVHXYOQRFGRTOV-FQEVSTJZSA-N 427.552 5.090 30 20 IKED Cc1nc(C)n(Cc2cccc(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)c2)n1 429052456 AMSNXPNTOQALFB-UHFFFAOYSA-N 438.491 5.251 30 20 IKED CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 438024121 QCVRJMQBOAINRD-QHCPKHFHSA-N 440.547 5.336 30 20 IKED C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCN1Cc1ccccc1 438061947 LRLZMTQHKNWYGR-NRFANRHFSA-N 440.547 5.479 30 20 IKED C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(Br)s1 440839980 AGOJKIYXVDXAEE-LBPRGKRZSA-N 431.311 5.045 30 20 IKED N#CCCCn1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c2ccccc21 444037812 OAKMJSDTEFSIER-UHFFFAOYSA-N 425.517 5.116 30 20 IKED C=CCOc1c(Br)cc(CNCc2cccc(-c3cccnc3)c2)cc1OC 463749384 MSCHIKGTCXJVQF-UHFFFAOYSA-N 439.353 5.374 30 20 IKED COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 466051782 NGDXARWGJAOEND-AHKZPQOWSA-N 443.522 5.148 30 20 IKED Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1 470259834 UKUQNHWRIUGPHN-AOYPEHQESA-N 426.516 5.096 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1 473809880 RRWPUDUCOLLLLZ-UHFFFAOYSA-N 440.425 5.840 30 20 IKED N#C[C@@H](NC(=O)c1cc(F)c(Br)cc1Cl)c1cccc(C(F)(F)F)c1 475775591 UFXNPBVLGXALCN-CQSZACIVSA-N 435.602 5.255 30 20 IKED N#CC[C@H](CC(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1ccccc1 476662284 DUYJAQBDYUUDRQ-LJQANCHMSA-N 430.379 5.162 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1 479496280 BEDMSAIGAWXRAN-QFIPXVFZSA-N 443.528 5.079 30 20 IKED C=CCn1c(SCC(=O)c2cccc(Br)c2)nnc1-c1ccccc1C 479775834 DGKQBHVAMUHSAF-UHFFFAOYSA-N 428.355 5.177 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@]2(C1)OCc1ccccc12 480823984 NGHZKTIJELWLAF-MHZLTWQESA-N 439.515 5.712 30 20 IKED Cn1nc(C(F)F)c2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)sc21 483516348 GJZSDKFPVAAGHT-CYBMUJFWSA-N 439.472 5.058 30 20 IKED CC(=O)c1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)s1 487440929 AEQLEZLDXJFWHR-UHFFFAOYSA-N 435.452 5.141 30 20 IKED C[C@H](Sc1nc(C(F)(F)F)ccc1C#N)C(=O)Nc1ccccc1Cc1ccccc1 488737286 RPTMANSPCKSDAL-HNNXBMFYSA-N 441.478 5.682 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC3(CC2)OCCc2ccsc23)cc1 490568514 OLVRJRZPPMGFAJ-UHFFFAOYSA-N 445.544 5.508 30 20 IKED Fc1ccc(-c2nc(CN[C@@H](c3ccccc3OC(F)F)C(F)(F)F)co2)cc1F 491330482 TXCQJIRRHYKQPJ-INIZCTEOSA-N 434.311 5.614 30 20 IKED CCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 496555849 QXHQSZYWDCQAAB-IBVKSMDESA-N 427.548 5.482 30 20 IKED N#Cc1ccccc1CSCCNCc1csc(COc2ccc(Cl)cc2)n1 500121368 KAQZXKKDJGASHH-UHFFFAOYSA-N 429.998 5.270 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)N(Cc3ccc(C#N)cc3)CC(C)C)s2)cc1OC 500313951 XBIUNMXGHBPUPN-UHFFFAOYSA-N 449.576 5.306 30 20 IKED C=CCN(C(=O)c1cc(-c2ccc(OC)cc2)c(C)s1)c1nc(C(=O)OCC)cs1 501937518 ILJDESCWTAUOLX-UHFFFAOYSA-N 442.562 5.198 30 20 IKED Cc1csc(Sc2ccc(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c(C)c2)n1 503474465 QOCCXBJYHRXTSU-UHFFFAOYSA-N 446.601 6.104 30 20 IKED CCN([C@@H](c1ccc(Cl)cc1)c1ccccn1)S(=O)(=O)c1ccc(C#N)cc1Cl 503479459 ZUUHNXKUZBJRIL-NRFANRHFSA-N 446.359 5.060 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(CN2CCCC2=O)cc1 503967058 RGWXUSMBFLDTID-UHFFFAOYSA-N 425.488 5.034 30 20 IKED CC(C)(C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1cc(F)cc(C#N)c1 505976695 NPXPEHZVXZBBFK-QHCPKHFHSA-N 425.507 5.405 30 20 IKED N#C[C@@H](NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 511424410 REDJAZCPFPUQCL-GOSISDBHSA-N 432.694 5.829 30 20 IKED CN1CCc2nc3ccccc3c(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)c2C1 511609046 GCOUPPNNOFRLLC-UHFFFAOYSA-N 434.499 5.139 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(C#N)c(Cl)c1 512978153 YHOAAQXRPFJQRB-GFCCVEGCSA-N 432.332 5.780 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 513090086 RCTUKJMAYSRIQL-FQEVSTJZSA-N 444.510 5.446 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)c1 513237540 BEKMOVRCDTYUBJ-UHFFFAOYSA-N 446.413 5.377 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N[C@H](C)c1ccncc1F 513376833 JPGLBUKFWWAKJG-CQSZACIVSA-N 438.528 5.050 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C 513665306 CZAZKWXRDWLMCN-MRXNPFEDSA-N 436.924 5.061 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 516270403 WWDFPMPRVPJDFY-SFHVURJKSA-N 444.516 5.743 30 20 IKED COc1ccccc1-c1cccc(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 518387633 FDKNXSSNQPVTCE-UHFFFAOYSA-N 432.423 5.053 30 20 IKED CCN(CC)[C@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 519949867 NIOMJTJSIWBOBC-IIBYNOLFSA-N 432.490 5.020 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 521333276 DUISWBWSEJZMHD-QFIPXVFZSA-N 434.337 5.252 30 20 IKED C=CCOc1ccccc1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 523621344 VFIDXDFRZURLOS-UHFFFAOYSA-N 427.504 5.218 30 20 IKED Cc1cc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)sc1-c1ccc(F)cc1 523997832 HKLCNMLHZUAEAN-UHFFFAOYSA-N 447.535 5.225 30 20 IKED CC(C)Cn1cc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(C(F)F)n1 534151958 UZPHVANVDIWLBB-UHFFFAOYSA-N 443.429 5.924 30 20 IKED CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)Nc1ncccc1OCCCC#N)OCC3 534613630 IDWMKVODXIBQBG-AREMUKBSSA-N 446.551 5.015 30 20 IKED N#Cc1c(NC(=O)CN[C@H](CC(F)(F)F)c2ccc(F)cc2)sc2c1CCCCC2 539278664 UXGVLEQUPFBUJT-QGZVFWFLSA-N 439.478 5.250 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)nn1-c1cccc(Cl)c1 539680108 HSONJLDIHFKBJK-HNNXBMFYSA-N 425.826 5.069 30 20 IKED CCOc1ccc(-n2c(SCCCC3(C#N)CCOCC3)nnc2-c2ccccc2)cc1 539712107 IYZDNVFXMDRFFV-UHFFFAOYSA-N 448.592 5.526 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1C[C@@H]2CCC(C)(C)c3cccc1c32 540686125 XPQIKRVXLRDFDX-WWMYMODYSA-N 447.604 5.293 30 20 IKED COc1cc(CN(C)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1SC 541155991 HICHLEKIAOUTAU-GOSISDBHSA-N 445.588 5.858 30 20 IKED C[C@@H]1C[C@@H](C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CCO1 541229016 IHXYTTDIDXYMIP-VYUIOLGVSA-N 437.302 5.259 30 20 IKED CN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 544454888 OWSHOABVKCUQSV-RSXGOPAZSA-N 444.506 5.269 30 20 IKED CCN(Cc1csc(N(C(C)=O)c2ccccc2OC)n1)[C@H](C)c1ccc(C#N)cc1 550381235 CVJYKSIQPHDQCD-QGZVFWFLSA-N 434.565 5.291 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 554441620 ZQJIELCMZMJUJA-MRXNPFEDSA-N 436.556 5.970 30 20 IKED C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1 555244055 WTHNTUPMINQDLD-UHFFFAOYSA-N 434.931 5.095 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)Nc1nnc(C2CC2)s1 556673266 MJDLSTXWQNQALD-UHFFFAOYSA-N 439.566 5.006 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)CCCOc3cccc4ccccc34)CC2)c(F)c1 557125643 NLQGMBJKBPSQFL-UHFFFAOYSA-N 432.495 5.080 30 20 IKED C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1 559027368 CJZXHDJNZIVFOJ-UHFFFAOYSA-N 448.958 5.403 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](Cc1ccc(C)cc1)c1ccccn1 564047296 ACZQLUZUCJMHQD-OAQYLSRUSA-N 425.985 5.787 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1nnc(-c2c(Cl)cccc2Cl)o1 569005977 NCXMJFZYKOXYGZ-UHFFFAOYSA-N 445.693 5.240 30 20 IKED C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCC[C@@H]1c1noc(C(C)C)n1 578681384 KGCRISVIHMSAIK-MRXNPFEDSA-N 433.343 5.286 30 20 IKED CC(C)Cn1ncc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1C1CC1 580910838 IIZWHAUWQLODCI-UHFFFAOYSA-N 447.514 5.650 30 20 IKED Cc1oc(C#N)cc1-c1nc(CC(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)no1 584864928 HYGAXFDYVQIMBJ-UHFFFAOYSA-N 447.520 5.112 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CSCCOC(c1ccccc1)c1ccccc1 588669029 COJNJAYVGPFNJB-UHFFFAOYSA-N 436.964 5.690 30 20 IKED O=C(C[C@H](c1ccccc1)C(F)(F)F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 590663570 UFCJCMFVKPOGSZ-SGMGOOAPSA-N 435.330 5.748 30 20 IKED Cc1ccc2c(Cl)c(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)sc2c1 591020077 NEYHPJFLGRVFPB-INIZCTEOSA-N 433.945 6.348 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1nc2cc(F)ccc2s1 592973497 FZPINQFBRDCJAL-INIZCTEOSA-N 428.448 5.371 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Cc2csc(-c3ccc(C(C)C)cc3)n2)cc1 599983902 DGZOBAGNCZNZHK-UHFFFAOYSA-N 434.565 5.422 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C(=O)N2CCc3sccc3C2)C(C)C)n1 602755485 HOWQCKMRQRLZBQ-KRWDZBQOSA-N 439.528 5.044 30 20 IKED C=CCN(C(=O)c1cc2ccccc2cc1OC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603458964 UUOHUHGMAMCRFK-UHFFFAOYSA-N 445.500 5.713 30 20 IKED Cc1ccc(-n2nc(C)c(CC(=O)N(Cc3ccc(C#N)cc3)C(C)C)c2C)cc1Cl 603737865 ZTYCTBHJEVRDLQ-UHFFFAOYSA-N 434.971 5.302 30 20 IKED COc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 603959701 SIEASZWTTBMKAT-UHFFFAOYSA-N 441.512 6.043 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(Br)ccc2F)cc1 604003415 DKULSQSHEWINKX-UHFFFAOYSA-N 439.284 5.486 30 20 IKED CN(CCCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1F 604086104 YYKMVPOLNIPYFI-UHFFFAOYSA-N 446.526 5.119 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3csc(Cc4ccc(F)cc4)n3)cn2)cc1 608871212 SPRBEJRYAYUDBL-UHFFFAOYSA-N 430.464 5.184 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Br)cn2)cc1Cl 608938269 YOPWMGDQQNURPA-QGZVFWFLSA-N 426.701 5.405 30 20 IKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1cc(Cl)ccc1F 609387267 VTEHPCDYKACGFI-NSHDSACASA-N 445.869 5.943 30 20 IKED COc1cc(OC)c(C2CCN(c3c(C#N)cnc4c(C)cc(C)cc34)CC2)c(OC)c1 610245803 TXBATAVOVHHNOF-UHFFFAOYSA-N 431.536 5.133 30 20 IKED COc1ccc([C@@H](Cc2ccccc2C)NC(=O)N[C@H](C)c2cccc(C#N)c2)cc1OC 610355494 SFYBQMSQIOGOPP-NTKDMRAZSA-N 443.547 5.228 30 20 IKED Cc1nc(-c2cccs2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 613319117 PCHIWQXZQVBXDQ-CQSZACIVSA-N 441.990 6.447 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 618766187 IUUDXCVNERTKAF-DLBZAZTESA-N 427.348 5.167 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCOc2c(Br)cccc2C1 619317064 CXEGYSFQUKDNMM-CQSZACIVSA-N 446.370 5.270 30 20 IKED N#C[C@H](C(=O)c1csc(Cc2ccccc2)n1)c1nc(-c2c(F)cccc2F)cs1 620304647 ZGIDVWBFJJDTCA-CQSZACIVSA-N 437.496 5.626 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc(OC)c1Br 642281343 BOQFDLOXEDOGDN-AWEZNQCLSA-N 443.322 5.080 30 20 IKED O=C(NCCCc1c[nH]c2ccc(F)cc12)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 669788610 RLCUXZBRJXNQHZ-STQMWFEESA-N 439.375 5.012 30 20 IKED N#C[C@@H](C(=O)c1ccc(Br)c(OC(F)(F)F)c1)c1ccc2ccccc2n1 670115210 UEIOWDRCZJSHHY-CYBMUJFWSA-N 435.199 5.386 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCO[C@@H](c3ccccc3Br)C2)c1 727594341 DAVBVUHPYDLTGL-HXUWFJFHSA-N 431.330 5.009 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)cc1 728738256 NEVLMSYBUKVORC-RBBKRZOGSA-N 439.437 5.216 30 20 IKED CC(C)c1ccc(CSc2nnc(SCc3ccc(OCC#N)cc3)s2)cc1 729240643 JGBRPEMRRURBCT-UHFFFAOYSA-N 427.620 6.148 30 20 IKED Cc1ccc(C(C)C)c(Oc2ccc(C=NNc3cnnc(O)c3Cl)cc2[N+](=O)[O-])c1 730568467 ZDOKSDOROPJJHI-UHFFFAOYSA-N 441.875 5.414 30 20 IKED O=C(/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(C(F)(F)F)nc1O 731564998 XLQXEEUDXKHMBW-KXFIGUGUSA-N 438.745 5.524 30 20 IKED CCOC(=O)c1c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)sc2ccccc12 731970770 FWZQDWDAMPLQBF-UHFFFAOYSA-N 443.484 5.389 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)OCc3ncc(-c4cccc(Cl)c4)o3)cc2)nc1 731994789 ZICPYKKRMQQINT-UHFFFAOYSA-N 431.835 5.411 30 20 IKED O=C1/C(=C/c2csc(-c3cccc([N+](=O)[O-])c3)n2)COc2ccc(Br)cc21 733084333 ZYKHWMHSYXOGKR-WUXMJOGZSA-N 443.278 5.140 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=S)N[C@@H](CC)c1cccs1 734378000 PDZDBSXBKDGKSZ-INIZCTEOSA-N 427.408 5.664 30 20 IKED CC(C)Oc1cccc([C@H](O)CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 735120979 AUMISNDWYNXPDM-XMMPIXPASA-N 446.572 5.101 30 20 IKED COc1cccc([C@@H]2C[C@H]2C(=O)OCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)c1 735141067 FPSJFDYYCMBTPL-BJKOFHAPSA-N 443.499 5.001 30 20 IKED CCc1cccc(C)c1NC(=O)COC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 735166104 YVGKQLQTDUVYME-UHFFFAOYSA-N 448.906 5.670 30 20 IKED C=CCCCSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1ccc(OC(F)F)cc1 735415613 XSRRTJSJMYOWDB-HMMYKYKNSA-N 444.503 5.740 30 20 IKED COc1cc(COC(=O)C[C@@H]2CCOc3ccccc32)ccc1OCc1cccc(C#N)c1 735541078 KMLTZQZSISJISL-QFIPXVFZSA-N 443.499 5.145 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](O)c2c(F)cccc2F)cc1Cl 741060893 MMYYZANHWPHUQH-UTKZUKDTSA-N 441.865 5.129 30 20 IKED O=C1Nc2c(cccc2C(F)(F)F)C1=NNc1nc2cc(C(F)(F)F)ccc2s1 743445172 HOHDVGWCRAMVNA-UHFFFAOYSA-N 430.333 5.102 30 20 IKED CC(C)N(CC(=O)[C@H](C#N)c1nc2ccccc2s1)Cc1cccc(C(F)(F)F)c1 746148136 SXVVABYPLGTTMP-KRWDZBQOSA-N 431.483 5.402 30 20 IKED O=C(/C=C/c1csc(-c2ccc(F)cc2)n1)c1ccc(S(=O)(=O)C2CCCC2)cc1 749006384 ULJSOEJSKMTBIB-SDNWHVSQSA-N 441.549 5.562 30 20 IKED Sc1nnc(-c2cccs2)n1N=Cc1cnc(-c2ccc(Br)cc2)s1 752723055 SWJPHILYFQFZKD-UHFFFAOYSA-N 448.396 5.064 30 20 IKED C/C(=C\C(=O)NC1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1OC(F)F 753195888 OHHOLERMEOGVDL-TYIDFTHSSA-N 445.350 5.717 30 20 IKED N#C[C@H](C(=O)Cc1c[nH]c2cccc(Br)c12)c1nc2ccccc2n1C(F)F 754532068 PZHJXNIAJRHJHG-GFCCVEGCSA-N 443.251 5.094 30 20 IKED CC(C)[C@H](C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(F)cc1 756377600 NLJKYGDPVQIMRS-ZHRRBRCNSA-N 428.529 5.141 30 20 IKED COc1cc2c(cc1NC(=O)N1CCO[C@@H](c3cccc(C#N)c3)C1)oc1ccccc12 761218581 IKEBQUBWLZRVRH-XMMPIXPASA-N 427.460 5.072 30 20 IKED COc1ccc2c(c1)C(=O)/C(=C/c1csc(N(C(C)=O)c3ccc(C)cc3)n1)CCO2 763099759 FHNBZOKMOGYPIE-SFQUDFHCSA-N 434.517 5.194 30 20 IKED C[C@@H](OC(=O)CSCc1ccc(C#N)cc1)c1nc2cc(C(F)(F)F)ccc2n1C 764532480 ISZKHIPWHMLITQ-CYBMUJFWSA-N 433.455 5.001 30 20 IKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(Sc2ccccn2)o1 766429891 AGYIFOKZXRQPIY-UHFFFAOYSA-N 443.557 5.332 30 20 IKED Cc1c(C#N)cccc1NC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 770729421 YIXPWVFNZVMHRD-UHFFFAOYSA-N 435.593 5.440 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc(Oc3ccccc3)c(F)c2)ccc1OC 772987846 YJQBFRXRRWFITP-WIYYLYMNSA-N 434.511 6.158 30 20 IKED C#CCCCCCC(=O)OCc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1 780254703 DOIHOQPVVKDVSG-UHFFFAOYSA-N 439.364 5.761 30 20 IKED C=CCNC(=S)Nc1ccc([C@H]2CC[C@H](N(C)C(=O)c3ccc(Cl)cc3)CC2)cc1 785480540 NVSIQFBVLYNXDO-LBZQVFOQSA-N 442.028 5.611 30 20 IKED COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2S[C@@H](C)CCC#N)cc1Cl 787489265 RECGJWZVLBKINW-IGWPVBGESA-N 431.970 5.579 30 20 IKED C[C@@H](OC(=O)c1cc(-c2cccc(C#N)c2)no1)C(=O)Nc1ccccc1-c1ccccc1 789120847 GGFNPJFJODZRKL-QGZVFWFLSA-N 437.455 5.064 30 20 IKED CC(C)(C)OC(=O)NC[C@H](C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)c1ccc(F)cc1 797569892 ZALBJERZWFIMRC-IRXDYDNUSA-N 445.560 5.064 30 20 IKED Cc1ccc(C2=NO[C@H](CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)C2)cc1C 801611120 DCOIEOVEJQTXIF-DQEYMECFSA-N 438.531 5.274 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](F)c3ccc(C(F)(F)F)cc3)n2)cc1 802053495 STKKEWNBQHTSDR-FUHWJXTLSA-N 429.398 5.588 30 20 IKED N#C[C@H]1C(CN(CC2CC2)c2cccc(C(F)(F)F)c2)=CC(=O)n2c1nc1ccccc12 810075581 MAJWNHZUGNQGPA-IBGZPJMESA-N 436.437 5.159 30 20 IKED CCN(C(=O)Cc1ccc(NCc2cc(C#N)ccc2Br)cc1)c1ccccc1 864006382 UBEFTJRVICJFBJ-UHFFFAOYSA-N 448.364 5.528 30 20 IKED COc1cc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1OC(C)C 915351769 CBPPIJCCQMUVRP-HSZRJFAPSA-N 429.520 5.460 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1sc2cccc(C)c2c1Cl 916901879 BZJALGKGUOKPHI-LBPRGKRZSA-N 447.343 5.795 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Oc2ccc(F)cc2)cc1 916928779 UEDCDRIDZWFUOX-SFHVURJKSA-N 443.261 5.886 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3cccc(C)c3)n2)cc1 916949518 OSLHKWNTINQMTQ-VGSWGCGISA-N 431.561 5.522 30 20 IKED N#C[C@H]1C(CN(Cc2ccc(Cl)c(Cl)c2)C2CC2)=CC(=O)n2c1nc1ccccc12 917166424 JJKCPFFKVZKDKF-KRWDZBQOSA-N 437.330 5.195 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2ccc(Cl)c(Cl)c2)cs1 917531109 USRODERFSRPDCD-UHFFFAOYSA-N 439.755 6.234 30 20 IKED CCc1c(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3)n2)oc2ccc(C)cc12 917558967 BEAJVOLERCHBOA-DHZHZOJOSA-N 448.519 6.480 30 20 IKED N#C[C@H](C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1nc2cc(Cl)ccc2s1 920112496 BVUAGHPOUBWAQX-CQSZACIVSA-N 446.841 5.644 30 20 IKED CCO[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1 920325088 YGLAYELXZRGGKJ-OXJNMPFZSA-N 431.344 6.071 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(N3CCCCC3)c2)cc1C 920850185 BWUJFTMAOPUOJF-UHFFFAOYSA-N 427.552 5.323 30 20 IKED C[C@@H](OC(=O)c1ccccc1-c1ccccc1C#N)C(=O)Nc1ncc(Cl)cc1Cl 921182691 QUOSQGXCTDZHGJ-CYBMUJFWSA-N 440.286 5.111 30 20 IKED COC(=O)c1sc2ncc(C(=O)/C=C\c3ccc(OCC(F)(F)F)cc3)cc2c1C 921265723 QMVYYMKHPMANDW-YVMONPNESA-N 435.423 5.229 30 20 IKED C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc2nc(O)oc2c1 1684267687 RJVXTMQQFIBWDB-INIZCTEOSA-N 444.466 5.017 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4cccs4)cc3)CCC2)c1 1786948991 HXIDJWMVZFZSNH-UHFFFAOYSA-N 429.545 5.000 30 20 IKED C#CC(=O)NC1(c2ccc(NC(=O)c3c(CC(C)C)oc4ccc(OC)cc34)cc2)CCC1 1788337774 BOYOQBPSXXGYIX-UHFFFAOYSA-N 444.531 5.021 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccc(F)c2s1 1797448237 LNDJVCGNWYLBQO-RDGPPVDQSA-N 426.557 5.061 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)c(Cl)cc1F)C2 1798338698 GTDJQCQSAMHRFI-FZKCQIBNSA-N 439.358 5.153 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)cnc2Cl)[nH]n1 1814442797 VHAUSAXGZOKLBE-GOSISDBHSA-N 443.979 5.065 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)cc(Cl)c2)[nH]n1 1814829340 FFVQBEFETVCPHE-HXUWFJFHSA-N 444.938 5.277 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3cc(Cl)ccc23)n[nH]1 1818593581 ZGZIQTVCAAAKHE-VBKZILBWSA-N 439.947 5.063 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(C)cccc3[nH]2)n[nH]1 1819054964 PVHWZAMWZLJQJY-WZONZLPQSA-N 445.567 5.274 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCCCC2(F)F)CC1 1824641937 JYCOKLNNEBBMGO-FCHUYYIVSA-N 436.587 5.200 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(C)(C)C)s3)CC2)C1 1827907138 MIHXIUUSEHRPOK-FQEVSTJZSA-N 428.642 5.245 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc(Oc3ccccc3)cc2)C1 1845313138 YAPWSVLUEYZRGF-DEOSSOPVSA-N 430.548 5.064 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(C(F)(F)F)c2)[n+]2cccc(O)c2)cc1C 11128425 ZDAJIZSMVCRWCJ-UHFFFAOYSA-O 445.486 5.366 30 20 IKED CCc1cccc(C)c1/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S1 16939018 NSHMTBVMXKGTEP-MRXNPFEDSA-N 436.364 5.112 30 20 IKED C[C@@H](Sc1nnc(Nc2cccc(F)c2)s1)C(=O)Nc1ccc(C#N)c(Cl)c1 18467060 RBWZPVVMNXILKF-SNVBAGLBSA-N 433.921 5.065 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccoc1C 21181581 PFJKCKCJFLCOGR-SFHVURJKSA-N 444.560 5.819 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(OCC)cc2)=C(/S)Nc2ccccc2F)cc1 22696271 ZZXQBSBTDQUQNN-UHFFFAOYSA-O 437.560 5.515 30 20 IKED C=CCn1c(SCC(=O)N2CCC[C@H]3CCCC[C@H]32)nnc1-c1ccc(Cl)cc1 24142266 LUDCYSAQYFEJEA-VQIMIIECSA-N 431.005 5.058 30 20 IKED Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 25840307 KKWYYQKWAMBGGV-UHFFFAOYSA-N 447.560 5.158 30 20 IKED C=CCN(C(=O)[C@@H](C)c1c(C)nn(C)c1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 58641022 HMRPMRQRWHLXMA-LBPRGKRZSA-N 449.407 5.790 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2cccc(C(F)(F)F)c2)c1 106878267 QPTDFHGRNQIFAC-UHFFFAOYSA-O 449.905 6.006 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@H](c2ccccc2)c2ccncc2)c1 303656284 LTTWWABEUUGSCS-RUZDIDTESA-N 439.902 5.918 30 20 IKED N#CCCn1cc(CN2CCC(c3ccc(Cl)cc3Cl)CC2)c(-c2ccncc2)n1 430109016 VSMQXBVNMWCFDB-UHFFFAOYSA-N 440.378 5.545 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)c1 431137551 KRALYFGUTUPSFW-NRFANRHFSA-N 445.332 5.373 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4nc(C5CC5)no4)cc3)n2)cc1 435459606 UOHXJJBWSBBQEZ-IBGZPJMESA-N 442.500 5.236 30 20 IKED Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 438922082 ZFTXEUYEMYPXIY-UHFFFAOYSA-N 443.478 5.190 30 20 IKED CCN(C(=O)Cc1ccc(NCc2ccc(C#N)cc2OC(F)F)cc1)c1ccccc1 439559501 DRRMDCCILZHRBZ-UHFFFAOYSA-N 435.474 5.367 30 20 IKED CCCc1c(NC(=O)c2ccccc2-c2ccccc2C#N)cnn1-c1cccc(C#N)c1 440081676 UCMSKJMQPXRAJT-UHFFFAOYSA-N 431.499 5.487 30 20 IKED CCCc1c(NC(=O)c2cc(-c3ccccn3)ccc2Cl)cnn1-c1cccc(C#N)c1 440093040 RANFSWLOTMUGOW-UHFFFAOYSA-N 441.922 5.664 30 20 IKED C=CCC[C@H](NC(=O)N[C@@H]1CCC[C@@H]([S@](=O)CC)C1)c1ccc(C(F)(F)F)cc1 440842253 JEYWKLOTRIIOBV-DVECNXNVSA-N 430.536 5.092 30 20 IKED CSc1cccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C 441324473 NMIGHAZIUJMQCZ-LJQANCHMSA-N 449.963 5.603 30 20 IKED C[C@@H]1CCC[C@@H](N(Cc2ccc3c(c2)OCO3)Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H]1C 441520974 XPECORYCUYHZIH-JBYIUTFZSA-N 444.535 5.164 30 20 IKED Cc1cc(NC(=O)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1C1CC1 441791492 QOMFXXKXDPLFSR-UHFFFAOYSA-N 439.515 5.095 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc(OC)c1OC(F)F 442673314 TYNZWCNFFXWJAZ-LLVKDONJSA-N 438.839 5.058 30 20 IKED Cc1cccc2nc(C3CCN(CC(=O)Nc4ccccc4S[C@@H](C)CC#N)CC3)oc12 444768392 WNZGJNHJKQXZCB-SFHVURJKSA-N 448.592 5.349 30 20 IKED C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N(C)[C@H](C)c1sc(CC)nc1C 460575831 PIHFNUJRYLJGIA-MRXNPFEDSA-N 441.601 5.063 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC=C(c2ccc(O)cc2)CC1 460578679 TXHKHTCDUWWAPM-SFHVURJKSA-N 434.515 5.133 30 20 IKED CCCNc1ccc(C#N)cc1NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 461718904 YYZVPVWLYYTMBN-UHFFFAOYSA-N 441.560 5.572 30 20 IKED N#Cc1ccc(CN2CCC(N[C@H]3CCCc4sc(-c5ccc(F)cc5)nc43)CC2)cc1 463264473 GLIQKMRLMONPAI-QHCPKHFHSA-N 446.595 5.452 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(N3CCCNC3=O)c2)cc1 464188921 SWJQMDRLRIXYPH-UHFFFAOYSA-N 442.544 5.023 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N[C@@H](c2cccc(OC)c2)c2ccccc2Cl)cc1 466032864 BHXSTOVADNRSDH-QHCPKHFHSA-N 449.938 5.176 30 20 IKED Cc1c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)nnn1Cc1ccc(C(F)(F)F)cc1 468772196 BFGIZQLNRQTUGB-UHFFFAOYSA-N 446.326 5.064 30 20 IKED CC(C)n1cc(C#N)c(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)n1 468917363 JGEWXUDDFKUJGK-UHFFFAOYSA-N 433.562 5.369 30 20 IKED Cc1ccccc1-c1nc(CSCC(=O)Nc2ccccc2S[C@H](C)CC#N)no1 471434918 FJHYDKPARPDTIF-MRXNPFEDSA-N 438.578 5.311 30 20 IKED CC(C)(C)OCc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)no1 471777818 CCCHBHHIJVNAAX-UHFFFAOYSA-N 439.899 5.346 30 20 IKED O=C([C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 480060632 AKTJGWLHLDOVQZ-NWDGAFQWSA-N 435.286 5.032 30 20 IKED CCCC[C@@](C)(NCc1nnc(-c2cccc(C#N)c2)o1)c1cccc(Br)c1 483089654 NRFQBWIGTOPYBM-JOCHJYFZSA-N 439.357 5.566 30 20 IKED O=C(Nc1cc(F)c(OC(F)F)cc1F)N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 483617950 GXWRPRZPYVCPKY-HNNXBMFYSA-N 435.299 5.473 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)Nc1scnc1C1CC1 489060728 DNRYGXDKCFRKQO-UHFFFAOYSA-N 438.578 5.611 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 489236378 CXVHYYRFVRXAHN-ICSRJNTNSA-N 434.446 5.456 30 20 IKED CCn1c(NC(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c23)nc2cc(C#N)ccc21 490820925 OMIYVCTVYVUSEA-UHFFFAOYSA-N 440.463 5.100 30 20 IKED N#C[C@@H](NC(=O)CCc1cccc(OC2CCCC2)c1)c1ccc(Br)cc1 499408898 REYGFLUKDXQOFU-OAQYLSRUSA-N 427.342 5.084 30 20 IKED C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1nc(-c2ccccc2)cs1 501355187 VZEGVLSZKYFNLS-IBGZPJMESA-N 425.557 6.112 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)Nc1cccc(OCCCC#N)c1 502243485 NPLFEDYVFYHLRR-UHFFFAOYSA-N 428.492 5.574 30 20 IKED CC(C)N(CC#Cc1ccc(C(F)(F)F)cc1)Cc1nnc(-c2ccccc2Cl)o1 502770720 PSQLNCNMQSFHRU-UHFFFAOYSA-N 433.861 5.671 30 20 IKED CC[C@H](C)n1c(S[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccccc1 504278875 DRALKBWLBSZRPM-GJZGRUSLSA-N 439.972 5.560 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)o2)cc1 505346623 XGJRKGWNBUSNOL-SFHVURJKSA-N 426.259 5.032 30 20 IKED C=C(C)Cn1c(SCc2nc3cc(Br)ccc3o2)nnc1-c1ccncc1 506415658 KHOBXKQPUYRWJC-UHFFFAOYSA-N 442.342 5.112 30 20 IKED C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 508903545 PAYRHBHUFHBXFE-TWOQFEAHSA-N 444.988 5.285 30 20 IKED CCN([C@H](c1ccc(Cl)cc1)c1ccccn1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 510233009 DOPDJGKOVRJFHG-OAQYLSRUSA-N 446.359 5.060 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H]3CCc4c(Cl)cccc43)c2)c1 510649801 XYRZWKAKLUJHME-QFIPXVFZSA-N 430.895 5.273 30 20 IKED N#CC1(F)CCN([C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)CC1 510945783 KFMQNNUDFMDITF-GOSISDBHSA-N 439.840 5.366 30 20 IKED C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1cccc(OCc2ccccn2)c1 512675477 MCFDPNDSVYCCHB-HXUWFJFHSA-N 433.511 5.690 30 20 IKED N#Cc1cccc(COc2cccc(CNC3CCN(Cc4ccc(F)cc4)CC3)c2)c1 513109672 DGFBRDQIWHILJD-UHFFFAOYSA-N 429.539 5.031 30 20 IKED CC(C)(CCC#N)CNC(=O)N(Cc1ccccc1)Cc1ccc(Br)cc1 513122687 GXACLZPDTUNQBD-UHFFFAOYSA-N 428.374 5.491 30 20 IKED CC[C@H](C)n1c(SCC(=O)Nc2cc(C#N)c3ccccc3n2)nnc1-c1ccccc1 514690459 RMWSRNHFFRDGSC-INIZCTEOSA-N 442.548 5.067 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(Oc2cccc(Br)c2)nc1 515589678 ONGIAFWRXBMSBU-UHFFFAOYSA-N 439.313 5.317 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1 516385556 VAYJJPPRUVVMGQ-UHFFFAOYSA-N 425.513 6.121 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 516737754 AJLCJBJQLKRRPY-KRWDZBQOSA-N 447.922 5.471 30 20 IKED C[C@H](c1c(F)cccc1F)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 518695654 DVRZCGMPHAEHIG-OAHLLOKOSA-N 434.446 5.314 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N(C)Cc1ccc(Br)s1 519004105 DZFJDNCRDNKJMW-UHFFFAOYSA-N 447.402 5.031 30 20 IKED CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 519432965 JWJSDJBVXUUJKW-AWEZNQCLSA-N 436.455 5.320 30 20 IKED CC(C)[C@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)N1CCc2ccccc2C1 520195589 DZNUTCANYGLXLU-CVDCTZTESA-N 436.625 5.285 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3nc(-c4ccc(Cl)s4)cs3)cc2)nc1 521093879 KFWSTCPUQPTNGB-UHFFFAOYSA-N 438.921 5.836 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N(CCc2ccccc2)Cc2ccncc2)cc1 521654362 CCEJDXLPQFYQNM-UHFFFAOYSA-N 448.526 6.022 30 20 IKED Cn1c([C@H]2CCCN2C(=O)c2cccc(COc3ccc(C#N)cc3)c2)nc2ccccc21 522410215 MPIDPLAUBDVVJX-RUZDIDTESA-N 436.515 5.001 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)cc1Cl 523556958 WGLLQJBAWVVIQM-FYYLOGMGSA-N 447.922 5.807 30 20 IKED N#Cc1cccc(COc2cccc(CNCCc3nc4ccccc4n3C(F)F)c2)c1 524069092 WAUHNNQRQFSPPU-UHFFFAOYSA-N 432.474 5.214 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3c(F)cc(Br)cc3F)cc2)c1 531505459 XZHGPYKSXIJJRU-UHFFFAOYSA-N 443.247 5.430 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@@H](CC(F)(F)F)c2ccccc2)n(C2CCCC2)c1C 537075356 QRYQEIPDMSAVDL-FQEVSTJZSA-N 432.490 5.314 30 20 IKED N#CCCCOc1cccc(CN2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1 537625992 ANHDQBOSPMADNT-UHFFFAOYSA-N 429.923 5.012 30 20 IKED N#Cc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)ccc1Cl 540469250 MHJZBTBMCCFSCL-UHFFFAOYSA-N 433.773 5.328 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2oc3c(Br)cccc3c2C)cc1 541086060 FSOVYPGYWAOXNW-UHFFFAOYSA-N 428.286 5.064 30 20 IKED CCCc1c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cnn1-c1ccccc1 542224225 XGDGBIRRESTOLC-UHFFFAOYSA-N 437.503 5.445 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)NCCc2c[nH]c3ccc(Br)cc23)cc1 542360328 MFGQCPIITQKBIR-UHFFFAOYSA-N 425.330 5.096 30 20 IKED N#CCC[C@@H](NC(=O)N1CCC(c2cccc(Br)c2)CC1)c1ccccc1 543069201 IPRSWHORMSBOKP-OAQYLSRUSA-N 426.358 5.383 30 20 IKED CN(Cc1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)C(=O)c1cccs1 543304042 VHHKRNZSXFZYFW-UHFFFAOYSA-N 444.560 5.088 30 20 IKED CN(Cc1ccccc1)Cc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c1 544153992 VAWNMGRDSINCNQ-HSZRJFAPSA-N 438.556 5.327 30 20 IKED C[C@@H]1C[C@H](c2cccnc2)N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 544534698 IJQLRYNMMMFFMY-OPAMFIHVSA-N 432.911 6.014 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)CC1 548774522 HEDHLOCDVLECLS-UHFFFAOYSA-N 443.359 5.209 30 20 IKED N#Cc1cccc(OCCCCC(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)c1 551681891 ZQPIZSRKZNTWJL-UHFFFAOYSA-N 425.941 5.201 30 20 IKED COc1cc(Br)ccc1-c1noc(-c2cn(CCCC#N)c3ccccc23)n1 561908954 XXEROCPWFMRNIF-UHFFFAOYSA-N 437.297 5.433 30 20 IKED Cc1c(C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)sc2ccc(C#N)cc12 576810027 NWSSTNKJDGUAKE-PMERELPUSA-N 430.554 5.642 30 20 IKED Cc1oc(NC(=O)[C@@H](C)N[C@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)c(C#N)c1C 579057482 SYOJJMJQBXWEQC-CHWSQXEVSA-N 442.972 5.531 30 20 IKED Cc1c(Cl)cccc1-n1c(Sc2ccc(C#N)c([N+](=O)[O-])c2)nnc1-c1ccncc1 581164532 RUMVABCZQWIQJB-UHFFFAOYSA-N 448.895 5.222 30 20 IKED C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 584081669 GKOQNIPEBCCIBS-HXUWFJFHSA-N 431.565 5.132 30 20 IKED C=C(C)[C@@H](Cc1nc(-c2cccnc2Oc2ccc(C)cc2Br)no1)OCC 584502410 AYWUKENIJQLXMS-GOSISDBHSA-N 444.329 5.519 30 20 IKED CCOc1ccc([C@H](C)NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1 586868089 BSVSUDIRWLLQGW-KRWDZBQOSA-N 425.960 5.094 30 20 IKED C[C@@H](C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(Br)s1 589470534 AWUMCPZAYQFRGY-GFCCVEGCSA-N 428.311 5.312 30 20 IKED C=C(C)CN(CC)C(=O)[C@@H](C)S[C@@H](C)c1nc(O)c2c(-c3ccco3)csc2n1 600037460 UQSGJLNLZDTVMB-UONOGXRCSA-N 431.583 5.264 30 20 IKED CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(OCCCC#N)c1 603971065 FJQGQDUIWUUDGT-HSZRJFAPSA-N 435.568 5.060 30 20 IKED CC[C@H](C)c1ccc([C@@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C(C)C)cc1 604135792 FUHWKQFWRIWDIY-GKVSMKOHSA-N 431.584 5.177 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3oc4ccccc4c3CSC)n2)cc1 604417404 SJBLYFNWFPQBRG-KRWDZBQOSA-N 434.542 5.918 30 20 IKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 604521334 YAFYTCMVLACTIH-JTHBVZDNSA-N 446.576 5.237 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(Cc4ccccc4F)n3)n2)cc1 605257511 IWSTYIYMGWIFOY-QGZVFWFLSA-N 449.532 5.495 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCC(c2c[nH]c3ncccc23)CC1 605407942 JSWZIUCMPLGTPU-UHFFFAOYSA-N 426.545 5.436 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccnc1Oc1cccc(OC)c1 607423332 LNKPNMBGOUTVLJ-UHFFFAOYSA-N 443.956 5.495 30 20 IKED N#Cc1ccc(N2CCC(NC(=O)Nc3ccccc3Oc3ccccc3Cl)CC2)nc1 608993590 DMPLYPXMXVZJNX-UHFFFAOYSA-N 447.926 5.189 30 20 IKED C[C@@H](CN(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1 609004861 NDOSQBRLRIYMRT-KRWDZBQOSA-N 447.922 5.205 30 20 IKED CCc1c(C)sc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)c1C#N 609031202 FNBIWVSHKPTDEB-UHFFFAOYSA-N 434.546 5.571 30 20 IKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 609074033 URPWTIUYQIUJMF-GOSISDBHSA-N 437.503 5.027 30 20 IKED CC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609427457 ZLBVNXDLQWLKSK-UHFFFAOYSA-N 445.544 5.220 30 20 IKED COc1ccccc1CN(C[C@H]1CCCO1)C(=O)Nc1ccccc1S[C@@H](C)CC#N 609434793 QTPLLKUOSSBMAZ-AZUAARDMSA-N 439.581 5.303 30 20 IKED N#C[C@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccc(F)cc1 609601756 FQKVBLGDUDLTHJ-QHCPKHFHSA-N 444.897 5.255 30 20 IKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)nnc1C1CC1 614507206 AKVPOICLYXRNDC-UHFFFAOYSA-N 425.583 5.083 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 618841746 BHZBBZROMHVYBB-CVDCTZTESA-N 447.583 5.031 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 642280850 LIXUNBNCDBLCMP-CQSZACIVSA-N 426.423 5.504 30 20 IKED O=C(CCOc1ccc(F)c(Cl)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642545670 AJBUMWDLXSZWLH-URLYPYJESA-N 435.767 5.274 30 20 IKED N#C[C@@H](C(=O)c1ccn(Cc2ccccc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 681351975 GHPZYWAERAEZQG-HNNXBMFYSA-N 426.423 5.050 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=Nn2cnc3ccccc32)cs1 725848691 CNJZCAQWVBXRMP-UHFFFAOYSA-N 429.427 5.078 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2Cc3ccccc3-c3ccccc3C2)cc1 726229970 KGRAAQNEZQOEHJ-NDEPHWFRSA-N 429.523 6.557 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COc2ccccc2OCC(F)(F)F)cc1 727662898 BQXSBABUXJZEDS-FQEVSTJZSA-N 440.421 5.301 30 20 IKED C[C@@H](NC(=O)CNc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(Cl)cc1 728200938 VKYHZMDUQVRTHL-MRXNPFEDSA-N 437.902 5.219 30 20 IKED C[C@H](CC#N)N(C)Cn1nc(-c2ccc(Cl)cc2Cl)n(-c2ccccc2)c1=S 728901970 GBDHFUISECYUHY-CQSZACIVSA-N 432.380 5.569 30 20 IKED COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 729035962 FUJWQVYFVLBTRT-YCRPNKLZSA-N 435.911 5.592 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 729375700 RLDZGJDFUXVBIK-UHFFFAOYSA-N 442.906 5.810 30 20 IKED N#CCOc1ccccc1C(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1 731335775 JUVAYLAOBIGNFE-UHFFFAOYSA-N 440.503 5.364 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 731399912 IKGMJJDFNBIOKK-KURKYZTESA-N 446.617 5.238 30 20 IKED Cc1ncc(/C=C\C(=O)C(c2nc3ccccc3s2)c2nc3ccccc3s2)s1 732900336 MXKKDNCDFGAWQG-KHPPLWFESA-N 433.583 6.085 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N[C@@H](c3ccccc3)C3CCOCC3)c2)c1 734352583 GRTLTVHFOMTQSF-SANMLTNESA-N 426.516 5.035 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(CSC3CCOCC3)c2)c1 734936416 ZRQWLVRXAKEXEC-NRFANRHFSA-N 439.581 5.101 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(CC)cc2)[n+]2cccc(O)c2Cl)c1 735667569 XWIQHKHVOWXZFC-UHFFFAOYSA-O 435.956 5.200 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)/N=C/c1ccc(O)c(O)c1O 739426852 NOBWIIWCOCTYDA-LUKZVCJISA-N 433.327 5.178 30 20 IKED COc1cc([C@@H](C)NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)ccc1OC(C)C 740030182 KALBWVFXVQHPRG-QGZVFWFLSA-N 449.576 5.643 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 741639994 KEKGIPGRSUZVQV-QGZVFWFLSA-N 425.488 5.417 30 20 IKED O=C(/C=C/c1ccccc1OC1CCCC1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741842589 MCHDKJJPZGNTSL-SDNWHVSQSA-N 438.467 5.240 30 20 IKED COc1cccc(-c2nc(/C=C\C(=O)c3cnn(-c4ccc(C#N)cc4)c3C)cs2)c1 741844885 SJMZFNXJESBENO-FLIBITNWSA-N 426.501 5.081 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)NCc1ccc(C#N)cc1 743208207 GRXFNLHFVVVWLF-UHFFFAOYSA-N 441.510 5.925 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N(Cc3ccco3)Cc3ccccc3O)c2)c1 743432090 BRZVYRWPCJWUFF-UHFFFAOYSA-N 438.483 5.278 30 20 IKED COCCOc1ccc(C(C)=NNc2nc3cc(C(F)(F)F)ccc3s2)cc1OC 743445419 TXCORSAPJRMRPK-UHFFFAOYSA-N 439.459 5.185 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccccc1C(F)(F)F 744016407 MUDLDHUZPIKKQN-FZMZJTMJSA-N 445.466 5.274 30 20 IKED COc1cc(C(=O)/C=C\c2ccccc2OCc2cccnc2)ccc1SC(F)F 746347114 XRKPTIJJHHBCFQ-NTMALXAHSA-N 427.472 5.880 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)c2ccc(-c3csc(C)n3)cc2)cc1C#N 752300299 BUVFSFPSJFVBQG-CQSZACIVSA-N 449.536 5.441 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccc(OC)cc2)cc1C#N 752304981 JUTPYWHEVLSBPK-QHCPKHFHSA-N 444.491 5.046 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2ccc(OCc3ccccn3)cc2)cc1 752476732 BTIVEHSEMYLGET-KBMIEXCESA-N 441.531 5.064 30 20 IKED COc1ccc(/C=C(\C)C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1F 755641443 TWMBKCMOFJDVFW-CEFACKQISA-N 428.435 5.516 30 20 IKED C=CCn1c(=S)sc2c(=O)n(Cc3cccc4c(Br)cccc34)cnc21 757943984 DWNMERXNFCQUHK-UHFFFAOYSA-N 444.379 5.139 30 20 IKED Cc1ccc(N2C[C@H](C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)CCC2=O)cc1C 760970577 UMTJIRRTKGKCCD-CTNGQTDRSA-N 429.545 5.046 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cc3c(s2)CCCC3)cs1 764434247 VSBLDWHOKKFAIH-FLIBITNWSA-N 426.538 5.803 30 20 IKED Cn1c(CC(=NOCc2nnc(-c3ccccc3)s2)c2ccccc2)nc2ccccc21 766408328 CWOGSBIRXBKOAS-UHFFFAOYSA-N 439.544 5.255 30 20 IKED CN(C)c1ccc(N(Cc2ccc3ccccc3n2)C(=O)c2ccccc2OCC#N)cc1 766598384 YAOQOMQSHDJLCZ-UHFFFAOYSA-N 436.515 5.050 30 20 IKED C=CCOc1cc(OC)ccc1C(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl 766801979 FXCMDCNEUGYWRI-UHFFFAOYSA-N 444.698 5.016 30 20 IKED N#C[C@@H](C(=O)CCCc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1Cl 770845537 BRJAYHPPUPYRHA-HNNXBMFYSA-N 443.252 5.682 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)C1(Cc2ccc(Cl)cc2)CC1 771171394 OQCHFCWGMZZPSA-MRXNPFEDSA-N 442.968 5.096 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)cc1 781447175 DTNJASZPXNKTBW-KRWDZBQOSA-N 442.393 5.369 30 20 IKED CC1(NC(=O)OC(C)(C)C)CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 782011140 CCQFHJVJBOBEFN-QFIPXVFZSA-N 448.567 5.253 30 20 IKED COc1cccc([C@H](OC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2ccncc2)c1 782457615 RBBJFNPFRCINDM-RUZDIDTESA-N 440.455 5.080 30 20 IKED O=C(/C=C/C1CCOCC1)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 783557416 BGWPQNVNEYKTKX-BGTMTDRBSA-N 449.313 5.427 30 20 IKED Cc1ccc(Br)nc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 786619562 XPPOMZHPYGIYSU-UHFFFAOYSA-N 436.309 5.050 30 20 IKED COCc1c(C(=O)[C@@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)oc2ccccc12 787054397 VEXDVSCMIJIRCB-MLGOLLRUSA-N 445.302 5.086 30 20 IKED COc1ccc(CSCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1Cl 790299882 VUBVTRDSBBZOLS-MRXNPFEDSA-N 428.966 5.582 30 20 IKED N#C[C@@H](C(=O)CO[C@@H]1CCCc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1 797550187 ZFSOFDYCHHDBJF-QFBILLFUSA-N 430.451 5.586 30 20 IKED C[C@@H](OC(=O)CCCCCC#N)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 805698627 ZTYNCWIUUWWGPE-UZLBHIALSA-N 441.915 5.016 30 20 IKED CCOc1cc(C#N)ccc1OC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 822093850 VFNMWMRASDAGIE-UHFFFAOYSA-N 431.275 5.457 30 20 IKED Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915777054 GPIYFYKVNPPWSP-PKTZIBPZSA-N 441.531 5.012 30 20 IKED CC(=NNc1nccc2sccc12)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 915978881 GJDBXARGWNNLSE-UHFFFAOYSA-N 436.562 5.242 30 20 IKED Cn1c([C@@H](C#N)C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2ccccc21 916844146 WKYYDXRSMNUOIT-LFAOLKIESA-N 437.343 5.501 30 20 IKED CCOc1ccc(SCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916906589 FDRGNUTXSCVGRW-NRFANRHFSA-N 446.528 5.317 30 20 IKED C=CCN(C(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12)c1ccccc1 919993110 JWMKFGRABRVQRW-UHFFFAOYSA-N 444.332 5.892 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccccc1OC1CCCC1 920362471 DKBDXLOOQUKKMY-UHFFFAOYSA-N 429.545 5.637 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)C1 1804857703 SQBFFVSHYSPTRM-XZOQPEGZSA-N 440.603 5.153 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3cc[nH]c23)[nH]n1 1814443211 PRYNRIAUMAAHLY-HXUWFJFHSA-N 433.556 5.189 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CC2CCC(C)(C)CC2)n[nH]1 1820979693 TXBSDXLPCNIABG-NRFANRHFSA-N 426.605 5.202 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2csc(-c3ccccc3)n2)[nH]n1 1821920869 PCQVRSVFLMVCLO-OXQOHEQNSA-N 449.580 5.051 30 20 IKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ccccc23)CC1 1824537334 GAGJHJSANZQPSP-ZEQRLZLVSA-N 438.637 5.028 30 20 IKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1 1828456919 ZELFEBRZPSORFJ-QJRASEFVSA-N 448.717 5.167 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(F)c2F)CC1 1828827480 NWHVRCPJJNEOTQ-NZQKXSOJSA-N 444.566 5.275 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3ccoc3c2)CC1 1829068558 DEOSDRYJZDXNBR-HSZRJFAPSA-N 436.596 5.659 30 20 IKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)CC1 1829703851 NZCWFELQXAYMCM-QFIPXVFZSA-N 440.971 5.123 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1831369052 BABPCGIYDBGZFJ-SBUREZEXSA-N 442.003 5.267 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H](C)c2ccccc2)CC1 1831509824 NZRODKBIVGTFLD-UGKGYDQZSA-N 432.555 5.011 30 20 IKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 1831858650 CAZPJSRWHJSVMG-SFHVURJKSA-N 431.001 5.364 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2cccc(O)c2)cc1 10173493 OYBOTWRICQKOJC-UHFFFAOYSA-O 433.597 5.591 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2C(F)(F)F)[n+]2ccccc2)c(C)s1 11158138 QFERIFRHTMBOPT-UHFFFAOYSA-O 435.516 5.722 30 20 IKED N#CCOc1ccc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)cc1 17474743 UEVHOJBHFSWZPL-HMAPJEAMSA-N 448.400 5.335 30 20 IKED CCCCC[C@@H](C)n1c(SCC(=O)Nc2sccc2C#N)nc2ccccc2c1=O 21995407 QCDFSFGROWQJET-OAHLLOKOSA-N 440.594 5.202 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCCOCc1ccccc1 65374095 JGRCWLGDVJOWLX-UHFFFAOYSA-N 429.520 5.778 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3C[C@H]3c3ccccc3Cl)s2)cc1 105400908 KMANJVOOWNPOCK-HOTGVXAUSA-N 426.954 5.098 30 20 IKED O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2)c1ccncc1 215736089 FOHRVRYNUBCEPX-VQHVLOKHSA-N 437.499 5.051 30 20 IKED COc1ccc([C@H](Cc2ccccc2C)NCc2ccc(O[C@@H](C)C#N)cc2)cc1OC 237348062 VEMPUPHNFUGEIH-CPJSRVTESA-N 430.548 5.377 30 20 IKED C=CCc1cc(OC)ccc1OC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 302798103 BYOOKLLAWWKRJP-UHFFFAOYSA-N 429.516 5.035 30 20 IKED Cc1cc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c(C)n1-c1ccccn1 303240545 JIRFGCMQGNDKSD-VWLOTQADSA-N 436.515 5.063 30 20 IKED C=CCCc1ccccc1NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 410345581 RDGIVKJGWXKHGU-UHFFFAOYSA-N 439.493 5.010 30 20 IKED COC(=O)c1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc2[nH]ccc12 425990441 ZQHSCFJWZFZDFB-UHFFFAOYSA-N 441.512 5.371 30 20 IKED CCOC(=O)c1cc2cc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)ccc2s1 428194391 UBTVYBYPOBAPER-UHFFFAOYSA-N 444.516 5.107 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 428912665 OYAYFRJSRGNPDH-QGZVFWFLSA-N 441.560 5.387 30 20 IKED COc1cc(Cl)c(Br)cc1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 430642819 KZRZNTZEWJRKAO-SNVBAGLBSA-N 427.751 5.355 30 20 IKED N#C[C@@H](C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)c1nc2cc(Cl)ccc2s1 431139737 RWMHYFIYAOQIET-SFHVURJKSA-N 431.904 5.437 30 20 IKED Cc1cc(NC(=O)N[C@H](CCCC#N)c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 431690164 DLAGLLFXWLDUOZ-HXUWFJFHSA-N 441.457 5.756 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc4c(c3)COC4)cc2Cl)c1 431857248 YBDIYZBOVHHTDE-UHFFFAOYSA-N 433.895 5.143 30 20 IKED N#CCC[C@@H](NC(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1)c1ccccc1 432114300 TXGOZIUCKCOYJM-WIYYLYMNSA-N 426.358 5.068 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)NCCC(c1ccccc1)c1ccccc1 432570662 CUXYZZKYZUIUIP-UHFFFAOYSA-N 425.532 5.005 30 20 IKED CCOc1ccc([C@@H]2C[C@H]2NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 436351397 JAMRIRVWCFXOAG-AZGAKELHSA-N 441.531 5.408 30 20 IKED CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)Nc1ccccc1S[C@@H](C)CC#N 438040897 VMGOOHFRPXFMQG-UNMCSNQZSA-N 436.625 5.457 30 20 IKED CCCc1c(NC(=O)c2cnn(C3CCCC3)c2CCC)cnn1-c1cccc(C#N)c1 440090303 SYIGNIYFTNVUHQ-UHFFFAOYSA-N 430.556 5.213 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)c1nc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)no1 445371947 ZYPAUXCWWDFWQU-KRWDZBQOSA-N 440.459 5.055 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cc1 445620682 KNLVDFJIKLMOOZ-UHFFFAOYSA-N 429.907 5.159 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)CC[C@H]2Cc3ccccc3NC2=O)c1 460340221 RXPKWBPROJIEJG-NRFANRHFSA-N 443.934 5.336 30 20 IKED C[C@H](c1cccc(C#N)c1)c1nc(CC(=O)Nc2nc(-c3ccccc3Cl)cs2)no1 463057946 XQZYNPSXJAGNDC-CYBMUJFWSA-N 449.923 5.051 30 20 IKED C[C@@H](SCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(Cl)c(Cl)c1 463204478 RXXCLAFSRLHLNG-CYBMUJFWSA-N 431.348 5.484 30 20 IKED Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 464474128 JNSSWBSOAKTZJG-GFCCVEGCSA-N 440.208 5.861 30 20 IKED CC[C@@H](NC(=O)NCc1ccc(F)cc1C(F)(F)F)c1nc(C(F)(F)F)cs1 465561002 DHXMRWSEQZQKMJ-LLVKDONJSA-N 429.361 5.270 30 20 IKED COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)N(C)Cc2ccc(C#N)cc2)c1 466041183 WHOZUMHFLFCIBU-AREMUKBSSA-N 427.548 5.309 30 20 IKED N#CCCCn1cc(C(=O)N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c2ccccc21 469532751 HLRWSLWABHNIPW-QFIPXVFZSA-N 441.453 5.178 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2COc3ccc(Cl)cc32)cc1 474736281 BUFAMOPQSAISPT-QFIPXVFZSA-N 433.895 5.240 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(F)c(Br)cc1Cl 475760006 RQIAIBQKSFLDCI-SNVBAGLBSA-N 427.726 5.746 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)Nc1cc(C(F)(F)F)ccc1F 477559293 KOWKDWUUOCQRRM-QMMMGPOBSA-N 426.336 5.103 30 20 IKED Cc1nn(CC(F)(F)F)cc1C(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 477875956 LSBRVWSFUDKICG-IIFATDLDSA-N 448.514 5.168 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CSCc1nc(-c2ccccc2Cl)cs1 478671114 GPKSMGAGCJIVPQ-UHFFFAOYSA-N 434.373 5.860 30 20 IKED C=C(C)[C@H](NC(=O)CSc1nnc(-c2ccccc2C)n1CC)c1ccc(F)c(F)c1 478923131 YVTUHVBNTUHPEH-NRFANRHFSA-N 442.535 5.077 30 20 IKED CN(C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1cc(Cl)ccc1C#N 479571865 XDRXIGWOQAALSX-UHFFFAOYSA-N 437.952 5.511 30 20 IKED C[C@H](N[C@@H](c1ccc(F)cc1)c1nccn1C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 480336744 NDDIWKIRRISMEP-SGTLLEGYSA-N 445.382 6.037 30 20 IKED C=C(C)[C@H](NCc1csc(CC(=O)Nc2ccc(C)cc2)n1)c1ccc(F)c(F)c1 481601716 DOGYRGUVORBGCC-QHCPKHFHSA-N 427.520 5.318 30 20 IKED N#C[C@@H](C(=O)c1ccnn1C1CCCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 483440660 MPUOPDQRZJSRCR-HNNXBMFYSA-N 431.348 5.919 30 20 IKED COc1cc([C@H](C)NC(=O)CSc2ccc(C#N)cc2)ccc1OCc1ccccc1 483464092 KAFQVMNRZNBIGM-SFHVURJKSA-N 432.545 5.115 30 20 IKED COc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1Br 486074898 HEHSPRYFRAVPET-UHFFFAOYSA-N 437.293 5.161 30 20 IKED COc1cc(C#N)cc(OCc2csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n2)c1 486080969 SDFISRZSQGEAEQ-UHFFFAOYSA-N 447.438 5.306 30 20 IKED CC[C@@H](c1ccccc1)c1nnc(S[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)o1 488813278 FNXCDIUSFDFLRE-GUYCJALGSA-N 426.929 5.256 30 20 IKED C[C@H](Sc1nnc(-c2cc3ccccc3o2)o1)C(=O)Nc1sc2c(c1C#N)CCC2 489682647 PRYJIKSJXBBTEP-NSHDSACASA-N 436.518 5.024 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cc(Cl)ccc3OC)o2)cc1 489808023 MXOKCWQUNNJGAT-CYBMUJFWSA-N 445.928 5.083 30 20 IKED C[C@H](N[C@H](C)c1ccc(OC(F)F)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 493505919 ARIXQYWAUCIPPM-KGLIPLIRSA-N 433.524 5.168 30 20 IKED CS(=O)(=O)c1cccc([C@H](Nc2cccc(OCCCC#N)c2)c2ccc(F)cc2)c1 494959278 YBJUQDDHDSBCEY-XMMPIXPASA-N 438.524 5.113 30 20 IKED C[C@H](CC(=O)N[C@@H](C#N)c1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1 499391647 BWXPORQAGIKMJJ-PXAZEXFGSA-N 425.248 5.343 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 500744903 POFDBEUCEWMKQY-DEOSSOPVSA-N 428.488 5.469 30 20 IKED O=C(CCOCC(F)(F)C(F)F)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 502860539 HDLYMTXOJZTLKQ-UHFFFAOYSA-N 446.146 5.180 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CCSc4c(F)cccc43)c2)cc1 503968484 FYRBRXZSIUVDQZ-HSZRJFAPSA-N 447.535 5.829 30 20 IKED Cc1ccc(-c2csc(N(C(=O)Cc3ccc(C#N)cc3)c3cc(C)ccc3C)n2)cc1 504404812 WDUURKMFMXPZRV-UHFFFAOYSA-N 437.568 6.514 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)COc2ccc(Oc3ccccn3)cc2)cc1 507890574 QSCYMHDACVPTJI-UHFFFAOYSA-N 437.455 5.555 30 20 IKED Oc1nc2cc(-c3nc(-c4ccc(F)cc4C(F)(F)F)no3)ccc2n1CC(F)(F)F 508255486 CLTVPWCZXWBRGU-UHFFFAOYSA-N 446.282 5.179 30 20 IKED CC(C)(C)c1cnc(CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)o1 509505834 GPWUWEJNVLCKBU-UHFFFAOYSA-N 437.927 5.647 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1nc2ccccc2n1C(F)F 509674658 BMBXQTPXSNYVJA-UHFFFAOYSA-N 448.498 5.427 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 510231148 WKTQAZCJDMHZDE-WAIKUNEKSA-N 425.488 5.506 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1cc(OCC)c(OCC)cc1Br 510985225 MMCVUJPOAPBCCS-UHFFFAOYSA-N 439.375 5.528 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1 511565568 KFGJJFXNSCXGKJ-QGZVFWFLSA-N 442.544 5.968 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)cc2)c1 511731134 WUNOBNHLFPIVSU-UHFFFAOYSA-N 440.478 5.216 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N[C@H](Cc3ccccc3)c3cccs3)CC2)c(F)c1 513018500 ZXWSQARCAJDELS-JOCHJYFZSA-N 433.552 5.075 30 20 IKED COCC[C@](C)(C#N)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1Cl)CC2 514755726 NURDTTRWYLOTDN-MJFUUYGPSA-N 445.950 5.424 30 20 IKED CSc1nc(O)c(C(=O)N(CCC(C)C)Cc2ccc(Cl)c(Cl)c2)cc1C#N 515991794 ZYVHBVCIZIFSOI-UHFFFAOYSA-N 438.380 5.376 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 517517551 CGWRPBMUUYUWRM-QGZVFWFLSA-N 430.533 5.977 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 517815053 ZRDBGZCPXKIFGO-UHFFFAOYSA-N 440.286 5.026 30 20 IKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3sc4c(c3C#N)CCCCC4)c12 518173279 ILUXNFGWNHJZSV-UHFFFAOYSA-N 447.589 5.460 30 20 IKED Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)CCCCOc1cccc(C#N)c1 518372541 CTJNBCRDQIRICS-BGYRXZFFSA-N 447.579 5.173 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 519318060 ZPTPFNPZXAVOOX-UHFFFAOYSA-N 431.439 5.265 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)CCc1ccc(Br)cc1 520940146 GJAPAPUBAGXNGI-CVEARBPZSA-N 446.414 5.986 30 20 IKED COc1ccc(CCN(CC(C)(C)C)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 522464753 ZLVQAPLCNJREMI-IBGZPJMESA-N 439.625 6.070 30 20 IKED C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 523419717 QPSGANDTOPUHTI-GOSISDBHSA-N 429.495 5.622 30 20 IKED C[C@@H](c1ccccc1)N1CCC(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 523903194 AIVSBGNFDQCPCJ-FQEVSTJZSA-N 440.547 5.698 30 20 IKED COc1cc(CSCc2cccc(C(=O)N(C)C)c2)ccc1OCc1cccc(C#N)c1 523937035 XSFUIRCUKVEXKY-UHFFFAOYSA-N 446.572 5.281 30 20 IKED CC[C@@H](C)NC(=O)c1cccc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 524599935 VWIWKCKGMAMPMV-GOSISDBHSA-N 442.519 5.201 30 20 IKED C[C@H](N[C@@H]1CCCc2nc(-c3ccccc3Br)sc21)c1ccc(C#N)cc1 531695848 NBHBJFONBNBKAU-IFXJQAMLSA-N 438.394 6.172 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc4c(cc3F)NC(=O)CC4)cc2Cl)cc1 531754909 FSLLPCOCFMAWAU-UHFFFAOYSA-N 435.842 5.280 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccc(Cl)c3cccnc23)nnc1-c1ccco1 531945607 UBZGBMJUILVTIN-UHFFFAOYSA-N 439.928 5.047 30 20 IKED C=C(C)Cn1c(SCc2nc(-c3nccc4ccccc34)no2)nnc1-c1ccco1 532452771 ZEXXBCXSMPWFPE-UHFFFAOYSA-N 430.493 5.005 30 20 IKED C[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1Br)c1ccc(C#N)cc1 533879072 AOQIKUDNLMTBOQ-SNVBAGLBSA-N 428.208 5.102 30 20 IKED Cc1nnc(SCC(=O)N(CCC#N)c2cccc(Cl)c2)n1[C@H]1CCC[C@H](C)C1 534607224 NMBBZEQSZVJJBP-KXBFYZLASA-N 431.993 5.030 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(F)cc3OCC(F)F)c2)cc1 536885821 NDINWOOTBDCPEC-UHFFFAOYSA-N 426.394 5.173 30 20 IKED N#Cc1cccc(-n2ccc(C(=O)N3CCC(c4nc5cc(Cl)ccc5s4)CC3)n2)c1 537308309 JNXWSZYFILVUNK-UHFFFAOYSA-N 447.951 5.027 30 20 IKED COc1ccc(C(=O)C2CCN(C(=O)c3ccccc3Oc3ccccc3C#N)CC2)cc1 540857459 GANPCKICUCDABM-UHFFFAOYSA-N 440.499 5.094 30 20 IKED N#CCCCNC(=O)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 542357785 BFJGASRMMGXULZ-UHFFFAOYSA-N 436.381 5.197 30 20 IKED C[C@@H](NC(=O)C1CCC(NC(=O)C2CCCC2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 543857320 FDWZOTYWCDMUGY-DJOCHQMASA-N 443.591 5.268 30 20 IKED Cc1cccc(COc2ccc(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)c(C)c2)c1 548861621 BWNBLLNRNDQITP-UHFFFAOYSA-N 440.547 5.367 30 20 IKED Cn1c(-c2ccc(CSc3ccc(Cl)cc3)cc2)nnc1N1CCC(CC#N)CC1 548916504 HUQFSJWDRZGTHU-UHFFFAOYSA-N 438.000 5.558 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)Nc3cccc(-c4ccccc4)c3)cc2)c1 551101119 GQWILEYDCJYGPV-UHFFFAOYSA-N 447.494 5.381 30 20 IKED CN(CCC(F)(F)F)[C@H](CNC(=O)c1cc(C#N)ccc1Cl)c1ccc(Cl)cc1 552306073 FFUHARRUCJPPFW-GOSISDBHSA-N 444.284 5.220 30 20 IKED CCCCOc1ccc(-c2nnc(COc3c(Br)cccc3CC#N)o2)cc1 559643752 HURLGXOODLKKDC-UHFFFAOYSA-N 442.313 5.323 30 20 IKED COc1cc(N(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc(OC)c1OC 575739674 PMKBIGIFICSMEW-UHFFFAOYSA-N 433.464 5.045 30 20 IKED CN(C(=O)c1cccc(C#N)n1)[C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 589782671 WMNJAKUUMBAYAS-HXUWFJFHSA-N 440.728 5.231 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccc(O)cc2)Cc2ccco2)cc1 591501337 OPYVRRMUHOIVNE-UHFFFAOYSA-N 445.519 5.034 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3occc3CSc3ccccc3)cn2)c1 603624185 VEXDRACUJWBFHT-UHFFFAOYSA-N 427.485 5.883 30 20 IKED Cc1cc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c(C)n1-c1nccs1 603639872 ZQPFGEBTDUTSSJ-UHFFFAOYSA-N 428.517 5.254 30 20 IKED CCCc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cnn1Cc1ccccc1 603670101 ORTOQSGIFJKRCX-UHFFFAOYSA-N 441.560 5.055 30 20 IKED CC(C)c1c(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cnn1-c1ccccc1 603759242 ZMCMLXMVSUQKKZ-UHFFFAOYSA-N 428.414 5.061 30 20 IKED Cc1ccc(-c2nc(CC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cs2)o1 603766893 YYFYQTGXXLFONW-HXUWFJFHSA-N 447.947 6.202 30 20 IKED C[C@@H](NC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)c1ccc(C#N)cc1 603782280 WKJUJGNWHNOFBQ-OAHLLOKOSA-N 448.320 5.064 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 609060767 DPFXBYRYCSSPAV-BXKMTCNYSA-N 439.515 5.293 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CN(C)c1nc2ccccc2s1 609077658 LIXZEOYBVFRGNN-UHFFFAOYSA-N 442.544 5.130 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(C(=O)Nc3ccc(F)cc3)CC2)cc1Cl 609164100 HITYDDUMQNCGJE-NRFANRHFSA-N 447.897 5.492 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1 609382814 RMCRGADULQARGD-MRXNPFEDSA-N 431.517 5.082 30 20 IKED Cc1ccc(-c2noc(CSCC(=O)Nc3ccccc3SC[C@@H](C)C#N)n2)cc1 609388668 BAKDLZWNEKSEGE-INIZCTEOSA-N 438.578 5.169 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN([C@H](C)c2ccc(F)cc2F)CC1 609402851 DCODWZFUOQAZCE-IAGOWNOFSA-N 444.551 5.127 30 20 IKED CCCNC(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1Cl 609501826 DZRDPCFKJGWBQR-UHFFFAOYSA-N 447.922 5.590 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1C 610054096 POXADQIMMUCTMK-UHFFFAOYSA-N 447.498 5.064 30 20 IKED CSc1ccc(O[C@H](C)C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 610130177 XCWOLGMVQOFLQU-HOYKHHGWSA-N 432.545 5.136 30 20 IKED C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 611557014 YDFJHHZBOZBQLB-WMLDXEAASA-N 435.421 5.471 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccccc2Cl)on1)c1nc(-c2ccc(Cl)cc2)cs1 613319709 JTWSCURKUDARDT-OAHLLOKOSA-N 440.311 6.262 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)cc1 614999991 QXQBAUFJWGAJCB-UHFFFAOYSA-N 436.515 5.016 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@H]1CCc2cc(C#N)ccc21 618786726 VGBDWZGTOBWCJN-IBGZPJMESA-N 435.936 5.251 30 20 IKED N#Cc1cc(Cl)c(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)c(Cl)c1 619545276 XDMWPYYNTUKBLP-HAQNSBGRSA-N 442.115 5.443 30 20 IKED C[C@@]1(C#N)CCCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@H]2CCCO2)C1 619852855 HSFMHOQDRYYFSB-QRQCRPRQSA-N 441.988 5.122 30 20 IKED C=CCn1c(S[C@H](C(=O)N2c3ccccc3C[C@@H]2C)C(C)C)nnc1-c1ccoc1C 639394172 FARBTPQCGPEASZ-KKSFZXQISA-N 436.581 5.127 30 20 IKED O=C(NCCc1ccccc1OC(F)F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 682631277 IVTISSFHUCAOEY-VXGBXAGGSA-N 448.354 5.039 30 20 IKED O=C(Nc1ccc(-c2ccco2)cc1F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 683811784 ODTCTTKYSPGAON-VXGBXAGGSA-N 438.343 6.117 30 20 IKED COC(=O)N(C)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 726075707 RJOFFYKUBJQZOS-UHFFFAOYSA-N 446.482 5.134 30 20 IKED CS(=O)(=O)c1ccc(/C=C2\CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)cc1 728438989 SRIOQDIATJTOPG-NTCAYCPXSA-N 429.950 5.080 30 20 IKED C[C@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)N1CCC[C@H]1c1cccs1 728669284 NPHSWPJZQNNAPA-JTSKRJEESA-N 446.528 5.321 30 20 IKED N#Cc1ccccc1/C=C/C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 728848894 VZIPBGONQILORX-VAWYXSNFSA-N 435.405 5.481 30 20 IKED N#CCOc1cccc(NC(=O)[C@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)c1 730477289 FBTZPGPEZLZWFT-OAQYLSRUSA-N 427.287 5.655 30 20 IKED COc1cc(C)c(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cccnc2)cc1OC 731319760 PZZATLKOBOYOQP-QXMHVHEDSA-N 425.488 5.156 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 731400015 KGVHNHABKUDCNH-AOMKIAJQSA-N 427.545 5.197 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnn(-c3ccccc3Cl)c2C)cc1 732707570 AFXQCENYCUOEQO-DNVCBOLYSA-N 434.927 5.309 30 20 IKED Cc1ccc(CN(Cc2ccco2)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)s1 733620975 GGGXAXCRFSHPHS-RUZDIDTESA-N 441.556 6.539 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)[nH]c12 735793535 VDVMDRATUBNQHP-RBUKOAKNSA-N 432.524 5.094 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2cccc(C(F)(F)F)n2)cs1 739422697 XFWBSPZMWKDUNH-UHFFFAOYSA-N 439.850 5.341 30 20 IKED COc1ccc(OCc2nc(/C=C/C(=O)c3cccc(-c4ccncc4)c3)cs2)cc1 741473928 VBXBHEPGWZFPEZ-BJMVGYQFSA-N 428.513 5.689 30 20 IKED COCCN(C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccc(C#N)cc1 741738308 KQASFKZHSKVTHY-UHFFFAOYSA-N 441.918 5.720 30 20 IKED Cc1c(F)cccc1-c1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)CC(F)F)cc2)o1 741851642 CQDXRVFETVPEDQ-YRNVUSSQSA-N 434.435 5.329 30 20 IKED C/C(=C/C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1 744031280 VJZKJKQXLGAAOB-QARUFBMTSA-N 441.236 5.763 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cc(N2CCOC2=O)ccc1C)c1ccc(C(F)(F)F)cc1 750330233 GCPSGWYAKGADSL-LJQANCHMSA-N 447.457 5.799 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc(Br)cc(C(F)(F)F)c1 756515280 LZMIRSXLAQGFEY-GFCCVEGCSA-N 445.622 5.082 30 20 IKED N#Cc1cccc(-c2nnc(CNc3ccccc3NC34CC5CC(CC(C5)C3)C4)o2)c1 760456678 YEKJWTLGKJFUEP-UHFFFAOYSA-N 425.536 5.601 30 20 IKED O=C1/C(=C\c2nc3ccc(F)cc3s2)COC/C1=C\c1nc2ccc(F)cc2s1 761478438 HCBYLQLBNQYQMZ-JTAXDKCCSA-N 426.469 5.251 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(c3ncc(C)s3)CC2)c1=S 762173313 WUNSXULOPGLRRS-UHFFFAOYSA-N 446.045 5.523 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)O[C@@H]2CCO[C@H](C3CCOCC3)C2)c1 763147058 KONBMZJZCJRIAG-XXBNENTESA-N 441.911 5.135 30 20 IKED C[C@H](c1ccsc1)N1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 765138145 JZXXBIAXUHMOAP-DVECYGJZSA-N 430.577 5.314 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCCOc3ccc(Br)cc32)ccc1OC 772978122 DPNYUWPKDKZVNG-PKOBYXMFSA-N 445.357 5.142 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H]2CCCOc3c(Br)cccc32)ccc1OC 772980560 SZJRYNYVQXHQBH-APWZRJJASA-N 445.357 5.142 30 20 IKED C=CCC[C@H](NCc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(C(F)(F)F)cc1 775553915 SGJXSSCABZGYGA-SFHVURJKSA-N 433.442 5.499 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](c3c(F)cccc3Cl)N(C)C)n2)cc1 778613669 GUEIYUATYYWSMJ-MGPUTAFESA-N 443.931 5.090 30 20 IKED N#CC1(COC(=O)c2oc3ccccc3c2CSc2ccccc2F)CCOCC1 780543512 NYYJOBVDHZQJSO-UHFFFAOYSA-N 425.481 5.341 30 20 IKED C[C@@H](CNC(=O)Nc1ccccc1O[C@H](C)C#N)Sc1ccc(Br)cc1 780670619 MPQCTBPMPCQVDC-KGLIPLIRSA-N 434.359 5.042 30 20 IKED N#C[C@@H](C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1nc2ccccc2o1 786935206 NNHAUCZBMZVJHX-AWEZNQCLSA-N 441.274 5.384 30 20 IKED C=C(C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1ccsc1 790760535 YDQZWYGJAIFHDH-IBGZPJMESA-N 443.594 5.073 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)ccc21 796628202 HRNNQJLQNBNFAA-HXUWFJFHSA-N 427.504 5.413 30 20 IKED O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1ccc(Cl)nc1C(F)(F)F 797304204 GBVYKHBZBULJNF-UHFFFAOYSA-N 434.670 5.626 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C 799216776 XORMOBKRUJEWFS-QAPCUYQASA-N 434.606 5.142 30 20 IKED C=CCCc1ccccc1NC(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O 800593129 WFUSMZHWTXVZBY-SFQUDFHCSA-N 449.547 5.406 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1COC(=O)NC1CCCCC1 806264790 GQMARPKWJCMILL-MJGOQNOKSA-N 444.601 5.136 30 20 IKED CCCC[C@@H](ON=C(C)C)C(=O)Nc1c(-c2ccc(Br)cc2)nc(C)n1C 813460972 OYQWXSLZNLMBBA-QGZVFWFLSA-N 435.366 5.068 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1OC 883976939 LJLNPPODQYEJNP-NJBZPOFQSA-N 434.561 5.289 30 20 IKED C=CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1 913359487 OXGIWGKZVUKEHO-NSHDSACASA-N 428.699 5.396 30 20 IKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1cccc2ccccc12 914538670 UJBYGBVGPJRXPH-FQEVSTJZSA-N 449.601 5.010 30 20 IKED Cc1ccccc1C1(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)CCOCC1 920112956 NWEDFKZGHCCSHK-MRXNPFEDSA-N 444.478 5.548 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccccc3-c3ccccc3)n2)cc1 920140454 CLNVCMGLESBBTF-JOCHJYFZSA-N 435.508 5.604 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CC2CCC(C)(C)CC2)C1 1780806440 IBONUQWBIDGACZ-AJTFRIOCSA-N 446.676 5.099 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(F)cc4Cl)cc3)CCC2)C1 1786623885 SIWCYTZWTMJNGO-UHFFFAOYSA-N 426.919 5.122 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4cccc(F)c34)CCC2)cc1 1789458135 MTEUKOYOKUXFGU-IBGZPJMESA-N 446.526 5.218 30 20 IKED Cc1cc2cc(C(=O)NC3(c4ccc(NC(=O)c5cccc(C#N)c5)cc4)CCC3)ccc2[nH]1 1790258964 ZDSNMUVQLKZGQH-UHFFFAOYSA-N 448.526 5.410 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cccnc4s3)CCC2)cc1 1791727386 KCMAKXZDOCCDRB-UHFFFAOYSA-N 431.561 5.238 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3occc3c2)[C@H]1c1cccnc1 1802498189 MRMUPTDAEZHKSE-VWNXMTODSA-N 445.563 5.140 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3nscc23)[nH]n1 1814828906 XKTMZGCQOLIRKS-OAQYLSRUSA-N 449.580 5.094 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3[nH]ccc3s2)[nH]n1 1814829215 PAFSZYJYWVFRPR-SFHVURJKSA-N 437.569 5.027 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3ncccc3c2)[nH]n1 1819305506 KWMLQVAJPCDCOM-NZQKXSOJSA-N 443.551 5.032 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3occc3c2)CC1 1824142130 GFYJSRRYSWMLJS-DEOSSOPVSA-N 434.580 5.435 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccccc3)CC2)CC1 1828823838 HBZOHEIAUDHURW-JWQCQUIFSA-N 434.624 5.106 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C(F)(F)F)CCC2)CC1 1829067227 GBUXSHOQUDVQOR-LJQANCHMSA-N 442.566 5.331 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(F)cc2F)CC1 1830475641 PZNOAUWRAHOZEW-BTYIYWSLSA-N 438.946 5.064 30 20 IKED C=CCn1c(SCc2c(F)c(F)c(F)c(F)c2F)nnc1-c1ccc(OC)cc1 10405785 ILKDKWVZVNVHIZ-UHFFFAOYSA-N 427.398 5.128 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)nnc1C1CC1 35767143 BXBOADDGXNOJDF-LJQANCHMSA-N 432.593 5.051 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2cccc(Br)c2)cc1 303099581 HAPHVURGYRDAJU-UHFFFAOYSA-N 437.293 5.303 30 20 IKED Cc1nc2cc(C(=O)Nc3ccccc3S[C@H](C)CC#N)ccc2n1Cc1ccsc1 409541817 YRUDTZUJWVNKLC-MRXNPFEDSA-N 446.601 6.101 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 426076809 MOVXIQOZKCCUSF-UHFFFAOYSA-N 430.386 5.433 30 20 IKED Cc1c(-c2nc(-c3ccc(C(=O)N4CCC[C@H]4C)cc3)no2)sc2ccc(C#N)cc12 426416576 KAVNZFDJAPDZJV-CQSZACIVSA-N 428.517 5.423 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 432573997 NUJVSKSDPBCNSM-TYXQEANJSA-N 449.554 5.081 30 20 IKED N#CCSc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)c1 435446401 ZXJLCVPVWXBVIN-UHFFFAOYSA-N 427.532 5.675 30 20 IKED COc1cc(C)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cn1 437772139 JNOGTPQRCVPHQQ-VXKWHMMOSA-N 442.519 5.495 30 20 IKED CC[C@H](C)[C@@H](C)N(C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C1CC1 439573486 OXWQMOPSEKFYQN-GSHUGGBRSA-N 437.971 5.360 30 20 IKED COc1ccc(-c2csc(NC(=O)c3cn(CCCC#N)c4ccccc34)n2)cc1OC 444175905 MDHGBOQWDIDWSZ-UHFFFAOYSA-N 446.532 5.338 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 460373691 FLKMOIRVBZHKBF-ZUQCGGBESA-N 445.592 5.004 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC2(CCOCC2)[C@H]1C 460951705 XNFPBTKEDFLCTI-NHCUHLMSSA-N 446.595 5.543 30 20 IKED Cc1ccc([C@H](Nc2nc(C)c(C#N)cc2Cl)c2cccc(S(C)(=O)=O)c2)c(C)c1 461951007 WAUNXWGYLFSTCU-JOCHJYFZSA-N 439.968 5.137 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 463142248 PMEHXBWHRFZUJS-UHFFFAOYSA-N 428.423 5.065 30 20 IKED CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 464987592 VHPIGFIHZLMNTJ-UHFFFAOYSA-N 441.531 5.023 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 465761343 SQPIBKBBGSKZIC-NYVOZVTQSA-N 430.577 5.661 30 20 IKED Cc1csc([C@@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C2CC2)n1 466088464 GHKPMEIZBRYHQR-QFIPXVFZSA-N 432.549 5.369 30 20 IKED COc1ccc2c(c1)[C@@H](NC(=O)N[C@@H](C)c1ccc(-c3cccc(C#N)c3)cc1)CCO2 467274663 IDUKTKQYKWAHIV-XDHUDOTRSA-N 427.504 5.118 30 20 IKED N#CCCCn1cc(C(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)c2ccccc21 469775794 NWBZYCAZKVVJGX-QFIPXVFZSA-N 441.453 5.178 30 20 IKED CC[C@H]1CN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC[C@H]1c1ccccc1 470547613 FLIICDDPZPJPDP-GBXCKJPGSA-N 444.579 5.317 30 20 IKED CC[C@@H]1CN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC[C@H]1c1ccccc1 470547614 FLIICDDPZPJPDP-HYBUGGRVSA-N 444.579 5.317 30 20 IKED N#Cc1ccc(NCc2cc(-c3ccccc3)no2)nc1NCc1cc(-c2ccccc2)no1 472340442 MWGHURAHVIWHJZ-UHFFFAOYSA-N 448.486 5.487 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)C34C[C@@H]5C[C@H](C3)CC(C(F)(F)F)(C5)C4)CC2)cc1 473444963 RDGAYWUXMCEFIE-WVKNIADZSA-N 432.486 5.077 30 20 IKED C[C@@H](N[C@@H](c1ccccc1)c1nccs1)C(=O)Nc1sc2c(c1C#N)CCCCC2 479991456 HBVKKWPYPGYMCM-QRWLVFNGSA-N 436.606 5.051 30 20 IKED C=C(C)[C@@H](NCc1csc(CC(=O)Nc2ccc(C)cc2)n1)c1ccc(F)c(F)c1 481601707 DOGYRGUVORBGCC-HSZRJFAPSA-N 427.520 5.318 30 20 IKED C=CCN(C(=O)c1ccc(-c2ccc(F)cc2)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 483185936 XPAUJPQUIYMNGN-UHFFFAOYSA-N 449.463 5.950 30 20 IKED N#C[C@@H](C(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1nccc2ccccc12 483228104 LCNDZCIPVVCHSA-LJQANCHMSA-N 447.420 5.202 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cnn(-c3ccc(Cl)cc3)c2CC)cc1 485345414 KOXHMUGSSPTWNM-UHFFFAOYSA-N 438.919 5.040 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1CCCc2ncccc21 486352486 YTABRFDLEFSPQM-UHFFFAOYSA-N 432.549 5.013 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1 487868237 CXEGBMIDIGXQIJ-UHFFFAOYSA-N 449.885 5.469 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccccc1C 488900915 KRXJXZKXYUXENR-INIZCTEOSA-N 426.973 5.521 30 20 IKED CCn1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)c1-c1ccccc1 495196008 WVHJOKNGKBHBIF-IBGZPJMESA-N 428.517 5.192 30 20 IKED COc1ccc([C@@H](NC(=O)NCC(C)(C)CCC#N)c2ccccc2Cl)c(OC)c1 498355070 OSLTVAIPELDQJU-NRFANRHFSA-N 429.948 5.076 30 20 IKED COc1ccccc1Oc1ccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1F 503646725 XBOGTIWJPGDTDJ-UHFFFAOYSA-N 443.478 5.819 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)c3ccc(NC(=O)Nc4ccccc4)s3)CC2)cc1 503910661 NVIQJMFJGABTKM-UHFFFAOYSA-N 428.517 5.193 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)NC12CCC(C(F)(F)F)(CC1)CC2 504930642 PRGJPRUHWBONPF-UHFFFAOYSA-N 428.348 5.544 30 20 IKED C=CCOc1cccc(NC(=O)N2CCC[C@H]2c2ccccc2I)c1 506760088 LURNPHLCKZYDIN-IBGZPJMESA-N 448.304 5.225 30 20 IKED CC(C)[C@H](CNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)cc1 508151932 RKCMPURWNRIJDY-LPHOPBHVSA-N 444.000 5.229 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(F)cc1Br 508384173 TWZPUBVSTMNRPV-UHFFFAOYSA-N 426.245 5.208 30 20 IKED C=CCOc1cccc(NC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1 508774796 RWIOBICYLZAWHS-UHFFFAOYSA-N 426.472 5.431 30 20 IKED Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)c1cccc(C#N)c1C 509996292 SJUQPEPCDFSDNZ-UHFFFAOYSA-N 426.495 6.164 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nc2ccccc2[nH]1 510022506 DIWHYYGOHRZJLY-BEFAXECRSA-N 429.911 5.754 30 20 IKED Cc1c(NC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cccc1OCC(F)(F)F 510047837 CNFJVPXGGLMGKW-HNNXBMFYSA-N 438.343 5.890 30 20 IKED N#C[C@@H](C(=O)c1cccc(COc2cccc(F)c2)c1)c1nc(-c2ccccc2)cs1 512947221 HDKQZPKEKYZCSI-QFIPXVFZSA-N 428.488 6.018 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1 515654749 HFNMGQDRUYHBRC-UHFFFAOYSA-N 448.526 5.258 30 20 IKED Cc1cc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)ccc1NC(=O)c1ccco1 517654733 AGBRPJUYVFZKHE-UHFFFAOYSA-N 438.443 5.152 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 518858850 LFFBXPAEYDFEOL-VWLOTQADSA-N 438.531 5.199 30 20 IKED C[C@H]1CCCN(c2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2[N+](=O)[O-])C1 519515731 UAFYTZKGKJAXLJ-IRXDYDNUSA-N 438.553 5.478 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2nc3ccccc3s2)CC1 520195509 ASIYZCMZARTPAI-MRXNPFEDSA-N 436.606 6.102 30 20 IKED N#C[C@@H](C(=O)c1csc(I)c1)c1nc2cc(Cl)ccc2s1 520791537 XOCZZXWTXUVFNC-VIFPVBQESA-N 444.706 5.106 30 20 IKED CSc1ccc(NC(=O)[C@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 521734969 UAWPVXAJUZFAIJ-ZDUSSCGKSA-N 439.528 5.872 30 20 IKED COc1ccc(CCC2CCN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)CC2)cc1 524417658 LGJALULPJUFNDB-UHFFFAOYSA-N 444.531 5.224 30 20 IKED N#Cc1cccc(-c2nnc(CSc3nnc(-c4ccccc4)n3-c3ccccc3)o2)c1 525112292 MUVQFQYVUJLUNV-UHFFFAOYSA-N 436.500 5.148 30 20 IKED CC[C@H](C)n1c(SCC(=O)N[C@@](C)(C#N)CCc2ccccc2)nnc1-c1ccccc1 533368903 ABAJUOUPQFYNGJ-UQBPGWFLSA-N 447.608 5.039 30 20 IKED N#C[C@H](C(=O)c1csc([C@H]2CCCO2)n1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 535960558 UWAFUBRKRZRAEP-DAHCDESNSA-N 439.606 5.409 30 20 IKED COc1cc(CN[C@@H](C)c2ccc(-n3cccn3)cc2)ccc1OCc1cccc(C#N)c1 540436985 UNLCDVVDLAQLRJ-FQEVSTJZSA-N 438.531 5.182 30 20 IKED N#Cc1cccc(-c2nnc(CN[C@@H](c3ccccc3)c3cc(Cl)ccc3Cl)o2)c1 541292990 RMTPOSXOBHTRIY-QFIPXVFZSA-N 435.314 5.794 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)N1CCC(CC#N)CC1 542850021 LZVLCZCUVQURPS-AWEZNQCLSA-N 447.402 5.277 30 20 IKED COc1cc2c(cc1F)CC[C@H]2NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 549233117 PLLNVYAVRCMFAQ-XMMPIXPASA-N 447.485 5.244 30 20 IKED N#C[C@@H](C(=O)c1ccc(Br)c(OC(F)(F)F)c1)c1nc2ccccc2s1 555084280 ZOTBCZSPXYRSER-JTQLQIEISA-N 441.228 5.447 30 20 IKED Cc1cccc(C2=CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2)c1 557187514 OLMUBZUWMGYXLI-UHFFFAOYSA-N 437.543 5.961 30 20 IKED COCCC[C@H](CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1ccc(Cl)cc1 558104875 LQQLRVHBRUZXAK-YFNKSVMNSA-N 439.987 5.332 30 20 IKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc(F)c(C#N)c1 560056734 LKCRBIYQDNMLPP-UHFFFAOYSA-N 441.384 5.529 30 20 IKED C=CCn1c(SCc2nc([C@H](C)C3CC3)no2)nnc1-c1ccc(Cl)cc1Cl 562237415 XDWJFJQXACYVBO-LLVKDONJSA-N 436.368 5.627 30 20 IKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N(CCC#N)c3ccc(F)cc3)cc12 573121057 MWJGGHXXJNFIPH-UHFFFAOYSA-N 438.915 5.748 30 20 IKED C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2sc(-c3csc(C)n3)cc2C1 574438486 BYMHTWBAWMVDGC-UHFFFAOYSA-N 444.589 5.059 30 20 IKED C[C@@]1(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)OCCc2sccc21 576388734 ZXYRTWYZUWELAU-VWLOTQADSA-N 447.560 5.003 30 20 IKED N#CCCCn1cc(-c2nc(Cc3nc4ccccc4n3C(F)F)no2)c2ccccc21 577300786 NCGJSUOVMASZHU-UHFFFAOYSA-N 432.434 5.331 30 20 IKED Cc1cccc(OC(F)F)c1NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 598198588 YUCSEZIKBJFSJZ-NXEZZACHSA-N 434.327 5.627 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 603935253 XCLXLPBQQLALND-UHFFFAOYSA-N 443.370 5.182 30 20 IKED CCc1ccc(CN(C)C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 604154441 OOKJBOMEHVTIQA-QHCPKHFHSA-N 445.950 5.155 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1nc(-c2ccccc2OC(F)F)cs1 609021837 SHTKYJXQNGOAJX-IBGZPJMESA-N 443.475 5.325 30 20 IKED Cc1cc(S(=O)(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c2ncccc2c1 609068620 PRCLEGLTEMDLQN-UHFFFAOYSA-N 443.528 5.103 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H](C)N(C)c1ccccc1 609079122 JXESVFSYIYXHNM-HXUWFJFHSA-N 428.536 5.092 30 20 IKED Cc1ccccc1CN(Cc1ccccn1)C(=O)c1ccc(COc2ccccc2C#N)o1 609154136 YYUOSRGCWTVIGM-UHFFFAOYSA-N 437.499 5.276 30 20 IKED COc1cccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 609398616 DTMJEROLFRPQES-GHTZIAJQSA-N 439.581 5.160 30 20 IKED COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cccc(COc3cccc(C#N)c3)c2)c1 609641351 RDQCJPNKDMKLEM-VWLOTQADSA-N 442.515 5.132 30 20 IKED C[C@@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1C(=O)c1ccc(C#N)nc1 609641487 YXIKXYRPHVLFAM-QRWLVFNGSA-N 426.907 5.437 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2nnc(-c3ccccn3)s2)c1 609723531 AHDVBUQFISJMAW-UHFFFAOYSA-N 433.880 5.170 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCc2cccc(Cn3ccnc3)c2)c1 609724130 KSAHAYSGZDQDFM-UHFFFAOYSA-N 442.906 5.179 30 20 IKED CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 609826566 HTBJVUGHWVKRBT-HYBUGGRVSA-N 435.568 5.294 30 20 IKED COc1ccc(N(Cc2ccco2)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1F 610051894 UXUGXGTZWNDRKM-UHFFFAOYSA-N 446.434 5.318 30 20 IKED C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 610122457 XCRBFNLLYFKOJS-QFIPXVFZSA-N 439.559 5.282 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](c1ccccc1)N1CCSCC1 610153503 UPYWKCMYWJFZJX-VWLOTQADSA-N 443.572 5.388 30 20 IKED N#Cc1ccc(N2CCC[C@H]2c2nc(-c3ccnc(Oc4ccccc4Cl)c3)no2)cc1 615131564 PXQAYTLYNSTMLI-FQEVSTJZSA-N 443.894 5.790 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(SC)cc2)nnc1-c1ccc(Cl)cc1 617895895 CFYZWFXHXDCBGB-AWEZNQCLSA-N 445.013 5.626 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 618826416 DBQVAUBFULLRSB-UXHICEINSA-N 432.524 5.185 30 20 IKED O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1cc(C(F)(F)F)ccc1F 622590134 ZUXYPILMVFJYJE-GOSISDBHSA-N 449.366 5.761 30 20 IKED N#C[C@H](C(=O)c1ccc(COc2ccc(F)cc2)o1)c1nc2ccccc2n1C(F)F 642282521 ZOSOPRPPMRITTM-MRXNPFEDSA-N 425.366 5.233 30 20 IKED C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 685551505 LJNLCBZAWGLPDE-HXUWFJFHSA-N 447.564 5.003 30 20 IKED Clc1ccc(OCc2cccnc2)c(C=NNCc2ccc(Br)cc2)c1 726740066 QSEOJNHLYNVFER-UHFFFAOYSA-N 430.733 5.200 30 20 IKED Cc1oc(-c2ccsc2)nc1CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 727038536 LCNPHOYQTNJCAY-ZDUSSCGKSA-N 447.463 5.759 30 20 IKED COc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2csc(-c4ccccn4)n2)CC3)cc1 727780540 OXUBGRFCESWQSS-NTCAYCPXSA-N 431.542 5.550 30 20 IKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CCC2)cc1 730461596 QIKBOGPATJSGRM-FQEVSTJZSA-N 443.519 5.040 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=S)NC12CC3CC(CC(C3)C1)C2 730954912 OAMGCBJXIUZNPP-UHFFFAOYSA-N 439.572 5.966 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 730990157 UAFCJNDMLRFZHX-INIZCTEOSA-N 425.554 5.467 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)c1nc(-c2c(F)cccc2F)cs1 731290978 RJHDMDYWESTALL-CEXWTWQISA-N 430.479 6.221 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2sc3cc(C(C)C)ccc3c2Cl)n1 732708919 JGNRRAIOFMIVNP-CYBMUJFWSA-N 432.954 5.801 30 20 IKED CCN(C(=O)/C=C/c1ccccc1C#N)[C@H](c1ccc(Br)cc1)c1cccnc1 732963443 OCFRCNRAEBKQHD-RBZOQEBVSA-N 446.348 5.367 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2ccc(Oc3ccccc3)c(F)c2)c1 733802745 AUZANWSNPXZDJR-RXVVDRJESA-N 447.510 5.859 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)c1 733805231 PBIRDSFELXZQLR-LADGPHEKSA-N 433.939 5.610 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)[C@@]2(Cc3ccc(Cl)cc3)C[C@H]3CC[C@H]2C3)n1 735768061 QDRXRWKMLKEYDZ-KNESASJNSA-N 442.968 5.199 30 20 IKED CCO[C@@H](C)c1nc(COC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cs1 736829926 WZSZEBMXSFDEFV-AWEZNQCLSA-N 442.924 5.915 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(OC(F)F)cc2OC(F)F)c(SC)cc1OC 741166136 WNEIJYRJFYOMIN-DAXSKMNVSA-N 446.418 5.525 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C[C@@H](c2ccccc2)N2CCOC2=O)cc1F 742960397 GFCLLGGSBUFONK-NRFANRHFSA-N 445.450 5.012 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cccc(-c2csc(C)n2)c1 744028864 NKTZBYNFBGBNRE-INIZCTEOSA-N 439.924 5.050 30 20 IKED C[C@H](OC(=O)c1ccccc1-c1ccccc1C#N)C(=O)N1CCC[C@@H]1c1cccs1 744515487 GKKKWMHWCSTNGE-HTAPYJJXSA-N 430.529 5.196 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@@H](OC(=O)CCc1ccc(C#N)cc1)C(F)(F)F 746435297 AZJWGKRQEQORQT-JOCHJYFZSA-N 427.426 5.140 30 20 IKED N#Cc1ccccc1N1CCC(NC(=O)c2cc(-c3cccs3)nc3ccccc23)CC1 747337822 VNTBXRWWQYNVMP-UHFFFAOYSA-N 438.556 5.234 30 20 IKED C=CCn1c(-c2cccc(C)c2)nn(CN(C)C[C@H]2CCCO[C@H]2c2ccccc2)c1=S 747804725 SMZNBGRVDWCRIX-RPWUZVMVSA-N 448.636 5.633 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/COc3c(C)cc(Cl)cc3C2=O)cs1 750908298 DGFUBLFCYPHFEX-SXGWCWSVSA-N 438.936 5.757 30 20 IKED C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1C#N)c1nc(Cc2ccc(Cl)cc2)no1 758119452 HNFQCJKAHAVMAB-LLVKDONJSA-N 435.789 5.122 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)N[C@H](c3ccc(F)cc3)c3ccccc3Cl)CCO2)c1 761668724 GZELDQVASGKVSE-BJKOFHAPSA-N 449.913 5.223 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2c(Cl)ccc(Cl)c2Cl)ccc1OC 761703230 QZYABEBWNYNAQB-GFCCVEGCSA-N 427.715 5.266 30 20 IKED C[C@@H](Oc1ccccc1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)c1ccccc1 761860746 JVIAPJOXHWXEKF-CLOONOSVSA-N 427.504 5.304 30 20 IKED CC(C)c1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)nn1-c1ccccc1 772551491 OBBWPFXEQYPJJN-INIZCTEOSA-N 441.318 5.264 30 20 IKED CC(C)Cn1ccc2c(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cccc21 774043309 OMBYCWVPHXEJMN-IBGZPJMESA-N 441.503 5.573 30 20 IKED Cc1ccccc1-c1cc(C(=O)Nc2ccccc2O[C@@H](C)C#N)c2cnn(C(C)C)c2n1 780158526 LTPRGNZIRDFUOM-SFHVURJKSA-N 439.519 5.531 30 20 IKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 782485346 KJVDBXJPKKHMFY-UZTOHYMASA-N 435.527 5.367 30 20 IKED Cc1sc2ncn(N=Cc3cn(C)nc3C3CCCCC3)c(=O)c2c1-c1ccccc1 783807759 YINOHTPQNOKTOY-UHFFFAOYSA-N 431.565 5.097 30 20 IKED CCCc1c(NC(=O)N2CC=C(c3ccc(Cl)nc3)CC2)cnn1-c1cccc(C#N)c1 784479116 VMNKIYRLQHNFEH-UHFFFAOYSA-N 446.942 5.066 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)/C=C\c3cccc(OC4CCCC4)c3)ccc21 787353221 WLFJLUYWZQJVAK-UVTDQMKNSA-N 443.547 5.243 30 20 IKED CC(C)[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@@H](O)c1ccccc1 788570064 CIZJRKXWORBWPZ-FTJBHMTQSA-N 443.547 5.211 30 20 IKED C[C@@H](C#N)Oc1ccc(CN[C@H](Cc2ccccn2)c2ccc(Br)cc2)cc1 788968940 DEXRSAJCKHTMSR-GAJHUEQPSA-N 436.353 5.209 30 20 IKED O=C(COc1ccc(C(=O)/C=C/c2cnc(-c3ccco3)s2)cc1)Nc1ccccc1 789129689 IKDBJEYYESYEIA-OUKQBFOZSA-N 430.485 5.317 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)s1 797566528 MQKJKZODOAVUCX-ACBHZAAOSA-N 429.630 5.262 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)c1ccc(Cl)c2ncccc12)c1ccc(Cl)cc1Cl 802218847 LRVXEHCWXGBAGY-MEDUHNTESA-N 446.721 5.395 30 20 IKED C#CCN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1C 806428306 SLCUNGZMDQHUDU-UHFFFAOYSA-N 431.923 5.568 30 20 IKED CCN(CC)[C@H](C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)c1cccc(C(F)(F)F)c1 813215684 AWSBJUPAETUOQA-AEFFLSMTSA-N 443.391 5.379 30 20 IKED C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813217119 JNHTUDXDUXNKTK-IAQYHMDHSA-N 435.858 5.659 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)c3csc(COc4ccc(F)cc4)n3)c2C#N)C1 822515304 UYUHLOMNEGUIPA-GFCCVEGCSA-N 427.526 5.171 30 20 IKED COc1ccc(Cc2nnc(S)n2N=Cc2c(-c3ccccc3)[nH]c3ccccc23)cc1 839407028 LFDKTZALTZDWAT-UHFFFAOYSA-N 439.544 5.197 30 20 IKED O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(-n2cccn2)cc1 878901948 IDOGGBNWJUDFKZ-KAMYIIQDSA-N 431.499 5.075 30 20 IKED N#Cc1ccc(-c2ccc(OC(=O)C3CCN(C(=O)/C=C\c4ccccc4)CC3)cc2)cc1 912630063 DCOKZQDSKZMKHJ-NVNXTCNLSA-N 436.511 5.083 30 20 IKED O=C1/C(=C\c2csc(-c3ccccn3)n2)CCC/C1=C\c1csc(-c2ccccn2)n1 915980939 DXBCIMIJLPPCDZ-RFTYBOQRSA-N 442.569 5.944 30 20 IKED CCCCn1nc(C)c(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)c1Cl 916333939 YBVRQEYDXZWWMU-UHFFFAOYSA-N 443.791 5.381 30 20 IKED CCCOc1c(Cl)cc(C=Nn2c(S)nnc2SCc2ccccc2)cc1OC 916542967 DCXXXWAZROBPPQ-UHFFFAOYSA-N 449.001 5.192 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)Cc1coc2ccc3ccccc3c12 916902464 GTKLITIBCWRZAN-GOSISDBHSA-N 446.890 5.447 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccc(F)cc2)cc1 916903719 RDWQOEIZOGTGPK-HSZRJFAPSA-N 430.479 5.704 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cccc(NC(=O)C2CCCCC2)c1 916917441 HCTWKTQJAQFQNZ-QHCPKHFHSA-N 439.515 5.320 30 20 IKED CC(C)(Oc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917044664 UPSDGBOHDUFOTB-CQSZACIVSA-N 438.858 6.002 30 20 IKED Cc1nn(-c2ccc(Br)cc2)c(C)c1/C=C\C(=O)c1ccc(OCC#N)cc1 917144651 KCCJBIFFUKGNQS-QXMHVHEDSA-N 436.309 5.050 30 20 IKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)CCCc1ccc(Cl)c(Cl)c1 917506537 AKFQFKZGWJGAKG-OAHLLOKOSA-N 449.334 5.030 30 20 IKED Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)cc12 918549933 XCKGYIZTXPNWHV-AWEZNQCLSA-N 427.533 5.039 30 20 IKED COc1ccc2c(c1)CCC[C@H]2CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 920110467 RLJONQKGLSHGNX-KBXCAEBGSA-N 431.319 5.160 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2nc3cc(Cl)ccc3s2)cc1 920783575 PCIJKFJJUOUARG-LJQANCHMSA-N 432.936 5.927 30 20 IKED N#C[C@H](C(=O)[C@H](Oc1ccccc1)c1ccccc1)c1nc(-c2c(F)cccc2F)cs1 920807039 WKBUXLSCWWVGNB-HOYKHHGWSA-N 446.478 6.085 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3ccc4[nH]c(C)cc4c3)CCC2)cc1)C(F)(F)F 1791305104 AEKWTJBFNXPLFY-UHFFFAOYSA-N 441.453 5.343 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)cc2)n[nH]1 1820560980 UCPPRMCIWAMRLX-HXUWFJFHSA-N 426.948 5.137 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)c2ccc(Cl)cc2)[nH]n1 1821917635 ZKEHMSQOFPVHAW-YRNRMSPPSA-N 428.964 5.071 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3sc(C)nc3c2)CC1 1828253905 TVNFDDVTKFSUEJ-JTSKRJEESA-N 439.625 5.050 30 20 IKED Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832633010 AZAOYLCPQLUXLM-QFQXNSOFSA-N 443.591 5.169 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2sc3ccccc3c2Cl)C1 1843710157 AHLZAKQGRZVXIM-INIZCTEOSA-N 428.985 5.140 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(CC)cc2)cc1 10173613 RUSKVUYWBVVUPM-UHFFFAOYSA-O 437.654 6.218 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2ccc(F)cc2)cc1 10828656 MYJXOBYIWJPJQA-UHFFFAOYSA-O 448.370 6.033 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cc(C)sc2C)=C(\S)Nc2cccc3ccccc23)c1 11127601 UCHFJRDKJUIDSS-UHFFFAOYSA-O 431.606 6.165 30 20 IKED C=C(C)CNC(=S)Nc1ccc(Oc2ccc(NC(=S)NCC(=C)C)cc2)cc1 16213166 VLFMPSDUJPDXGR-UHFFFAOYSA-N 426.611 5.204 30 20 IKED C[C@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 16825032 IPNUVCYZJPCZHG-VUSFMPOISA-N 445.544 5.020 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)nnc1-c1ccc(Cl)cc1 16862754 RBPRMAHXHSDYBY-INIZCTEOSA-N 441.000 6.027 30 20 IKED Cc1ccc(OCc2nc(CC(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)cs2)cc1 18185957 QFERLBHXQOEGDC-UHFFFAOYSA-N 446.557 5.207 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](CC)c2ccc(Cl)cc2)nnc1-c1ccccc1 21754345 UWJNLAUAOCNAOW-IBGZPJMESA-N 426.973 5.144 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2C(F)(F)F)[n+]2ccccc2)cc1 22695056 SBTSTIDKKQZDKN-UHFFFAOYSA-O 445.486 5.443 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2cccc(O)c2)s1 22733152 VABHFNWGIQIFLN-UHFFFAOYSA-O 438.381 5.407 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)NCCc2ccccc2)cc1 22735290 LHDUOVHIMPDPES-UHFFFAOYSA-O 444.045 5.413 30 20 IKED C=CCn1c(S[C@H](C)c2nc3ccccc3n2C(F)F)nnc1-c1ccc(F)cc1 30635693 FYEZWTIXRSFCAU-CYBMUJFWSA-N 429.471 5.868 30 20 IKED Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 58452284 OUQDHUQVXGSZSJ-KRWDZBQOSA-N 430.483 5.070 30 20 IKED C[C@@H](Nc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1[N+](=O)[O-])c1ccccn1 64679671 PRODVZZZDGYBEI-CQSZACIVSA-N 447.520 5.227 30 20 IKED C=CCn1c(SCc2cccc(C(=O)Nc3ccccc3)c2)nnc1-c1ccccc1F 195687686 RYKGLVSAPBJQFA-UHFFFAOYSA-N 444.535 5.815 30 20 IKED N#Cc1ccccc1N1CCCN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC1 409509045 VCWTVJCXDUMWSX-UHFFFAOYSA-N 438.959 5.277 30 20 IKED O=C(C1CCC(C(F)(F)F)CC1)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 410167188 NVGYMRJQOIIYMP-UHFFFAOYSA-N 441.387 5.741 30 20 IKED Cc1c(C#N)cccc1NC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 431947924 BWRGHUGYMLONTN-UHFFFAOYSA-N 443.482 5.240 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](Cc3ccc(Cl)cc3F)C(C)=O)o2)cc1 436211873 SRCQUMDSCRUUIY-IBGZPJMESA-N 432.904 5.386 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2noc(C(F)F)n2)cc1)c1nc2cc(Cl)ccc2s1 436698618 QSOFJNYLHFMDKS-LBPRGKRZSA-N 430.823 5.427 30 20 IKED C[C@H](SCc1nc(CC(F)(F)F)no1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 437268947 QCOCFVPOZAQVKU-ZETCQYMHSA-N 438.315 6.206 30 20 IKED CC[C@](C)(NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1nc(C)cs1 437910983 SCXJHCISIXPOLL-DEOSSOPVSA-N 434.565 5.544 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 438054132 XAZLWWAMCPOTAY-RTBURBONSA-N 445.588 6.639 30 20 IKED COc1ccc(-c2cc(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)sc2C)cc1 438599237 LPOQQITWSJILCA-UHFFFAOYSA-N 447.560 5.119 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)Nc3cccc4ccsc34)cc2F)c1 439311733 CLEJVJORIQGSDC-UHFFFAOYSA-N 445.475 5.068 30 20 IKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)C(=O)N[C@@H](CCC#N)c1ccccc1 439429468 FSBWZNPIXVAZPZ-NLFFAJNJSA-N 441.531 5.235 30 20 IKED Cc1c(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cnn1CCC(C)C 442225507 VOBPNOZWUFFTFW-UHFFFAOYSA-N 435.503 5.471 30 20 IKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cc3ccc(NC(=O)C4CC4)cc3)c2C#N)C1 443807871 WRJZZRYFFKNVPF-QGZVFWFLSA-N 435.593 5.300 30 20 IKED C=C(C)Cn1c(-c2sccc2C)nnc1N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 460384628 DXDPPGKTENKSHN-QZTJIDSGSA-N 448.514 5.222 30 20 IKED C[C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)c1cccc(C#N)c1 461987021 KAQXOTRIYHFPMD-QGZVFWFLSA-N 443.934 5.433 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CCO[C@@H](c4ccccc4)C3)cc2F)c1 462239909 HFPDCKVRMYXFOT-RCZVLFRGSA-N 445.494 5.318 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)c1cccc(Br)c1 463398525 PNIJDDWRXJZWBO-HNNXBMFYSA-N 436.309 5.559 30 20 IKED Cc1cc(Br)cc(Cl)c1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 464678467 PDCXYAGRFOGWCT-UHFFFAOYSA-N 442.700 5.722 30 20 IKED CO[C@H](CCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C(F)(F)F 469163934 WLBGGUFDBVVRMD-FUHWJXTLSA-N 425.838 5.084 30 20 IKED N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)cc1 470928214 FJPUIQHVIIUBOG-KRWDZBQOSA-N 436.393 5.085 30 20 IKED Cn1ccc2cccc(NC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)c21 472514120 AKGQEVBKIABARC-UHFFFAOYSA-N 444.878 5.073 30 20 IKED CCc1nc(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)n[nH]1 473490341 RRGOXDQEVGVXGO-KRWDZBQOSA-N 433.924 5.301 30 20 IKED COc1ccccc1[C@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)OC(C)C 473676385 OMOURWGLRQAQLB-UTKZUKDTSA-N 427.570 5.377 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCO[C@@H](c3cccs3)C2)cc1 473781630 CKFYICDLTLNIQY-OAQYLSRUSA-N 435.505 5.026 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 474203724 ANRQEGKIHLBNKK-UHFFFAOYSA-N 444.510 5.071 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C 476121706 HNZKREZFSDKCMI-UHFFFAOYSA-N 426.467 5.281 30 20 IKED N#CC1(NC(=O)CCCc2cc(Cl)sc2Cl)CCN(Cc2ccccc2)CC1 479245488 NQPYYWYCVJWJJR-UHFFFAOYSA-N 436.408 5.052 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccnc2OCC(F)(F)F)cc1Cl 487089919 VQNWPRWIZJRLBZ-GOSISDBHSA-N 445.828 5.584 30 20 IKED CC(C)(C#N)c1ccccc1CSc1nnc(COc2ccccc2Cl)n1C1CC1 487460388 GGJXMQNJFKQVPX-UHFFFAOYSA-N 438.984 5.939 30 20 IKED COc1ccc([C@@H](NC(=O)NCc2ccc(C#N)cc2)c2ccc(C(F)(F)F)cc2)cc1 490068514 RXNVIVHBPBHVJZ-QFIPXVFZSA-N 439.437 5.174 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 494068259 GBAAPLRCLRFXJI-IBGZPJMESA-N 442.588 6.339 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 499883557 AGWGSGKEUJEPFL-DNVCBOLYSA-N 447.507 5.288 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1COCc1ccccc1 500869251 ULTUKRYTIGUGQP-UHFFFAOYSA-N 427.548 5.397 30 20 IKED COc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1OC1CCCC1 503773179 XMIVMPOHGFQCBV-UHFFFAOYSA-N 435.568 5.256 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 505017253 SULQSZJZYGWVEO-HXUWFJFHSA-N 435.572 5.069 30 20 IKED C[C@H](NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(C#N)cc1 505363731 GHZRPIAYSBKZEY-SFHVURJKSA-N 439.494 5.110 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 505661480 MVIRUONJBHJAMQ-SFHVURJKSA-N 442.519 5.480 30 20 IKED CCCOc1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OC 506897122 JFTSQNOAFNEZAV-UHFFFAOYSA-N 446.572 5.578 30 20 IKED C=CCN(C(=O)CCc1ncc(C(C)(C)C)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 509034966 RNVQPEBKGUQVHV-UHFFFAOYSA-N 440.525 5.156 30 20 IKED CN(C)c1nc2sc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2s1 509266513 YSWFOROEEZBQOG-UHFFFAOYSA-N 448.573 5.321 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccnc(OCC(F)(F)F)c2)cc1 510646786 HSPJATNKPACVAZ-UHFFFAOYSA-N 442.397 5.008 30 20 IKED CN1CCC(Nc2ccccc2NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 517338608 FAFABBRPNYGMBD-UHFFFAOYSA-N 444.510 5.248 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](CC1CCCCC1)c1ccccc1 517468232 JLXDUJSUQWIRHQ-CVDCTZTESA-N 449.620 5.705 30 20 IKED C=CCOc1ccccc1CNC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 518395192 FWXOYQSSTHBFIX-QHCPKHFHSA-N 448.950 5.082 30 20 IKED Cc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1NC(=O)C(C)(C)C 518402519 PKOYGJHKSQSSPB-UHFFFAOYSA-N 431.492 5.276 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(COc4ccccc4)cc3)n2)cc1 518516469 FLUHZFRANOTPDX-QHCPKHFHSA-N 440.524 5.888 30 20 IKED COc1cccc(C[C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 519053652 MLIWDPZGWCUMPJ-QFIPXVFZSA-N 427.504 5.598 30 20 IKED C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 521092313 SCJRUGOZKNIVFV-IBGZPJMESA-N 439.540 6.211 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(COc4cccc(C#N)c4)c3)n2)cc1 522479687 KSTYXJITQUVSQC-XMMPIXPASA-N 449.535 6.059 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)cc1 523517429 DLJINVMTZQVCOM-LJQANCHMSA-N 449.457 5.472 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCO[C@@H](c4ccccc4Cl)C3)c2)cc1 523742774 QQONNRLBSRDAMQ-XMMPIXPASA-N 432.907 5.004 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)c1 523877424 ZACVPVAPETUHPM-UHFFFAOYSA-N 445.906 5.492 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)c1 523945276 GGIIEGRGFRSGGN-UHFFFAOYSA-N 442.446 5.701 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)C3CCN(c4nc5ccccc5s4)CC3)c2C#N)C1 524290396 KJDPAYKZHDPOPD-CQSZACIVSA-N 436.606 5.209 30 20 IKED CC1(C)CC(/C=C\c2ccccn2)=Cc2c1sc(NC(=O)CN1C3CCC1CC3)c2C#N 532466961 YSIXHEQQBLDPKH-SREVYHEPSA-N 444.604 5.358 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1 534476494 VFCDGKDBYQGCPM-SFHVURJKSA-N 438.491 5.122 30 20 IKED N#Cc1cc(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)ccc1OCC(F)(F)F 535365285 NGNOPVONFLKVDY-UHFFFAOYSA-N 439.393 5.004 30 20 IKED C=CCC[C@H](N[C@@H](C)c1ccc(NS(C)(=O)=O)cc1)c1ccc(C(F)(F)F)cc1 536839042 KPITWFPDFBTMPE-YWZLYKJASA-N 426.504 5.435 30 20 IKED Fc1ccc(OCc2noc(CN[C@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)n2)cc1 538322809 ZKQKKFYEIWMQDQ-QGZVFWFLSA-N 449.326 5.200 30 20 IKED C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)c1cccs1)c1ccc(-c2cccc(C#N)c2)cc1 541108699 ILASFPXRNRETOO-MBSDFSHPSA-N 443.572 5.159 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)c2cccc(OCc3ccc(Cl)cc3)c2)CC1 548774254 ADIASJHLOKVFSB-UHFFFAOYSA-N 431.923 5.012 30 20 IKED C[C@@H](NC(=O)Cc1c(F)cccc1C#N)c1nc(-c2ccc(Br)cc2)cs1 552331495 YJWGMFMIWBPUFA-GFCCVEGCSA-N 444.329 5.003 30 20 IKED Cn1c(Cc2cccs2)nc2cc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)ccc21 557566298 XNOKVOQXLDCYJO-JTHBVZDNSA-N 440.572 5.138 30 20 IKED Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 558853146 IUGNBKFWWNNOAT-UHFFFAOYSA-N 430.483 5.143 30 20 IKED Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C)(C#N)CC3)n2Cc2cccs2)c1C 570402691 FEWSHRLKJJDNKR-IBGZPJMESA-N 435.597 5.275 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)Nc3sccc3C#N)cc12 603450323 IOESJWUZAKQOQL-UHFFFAOYSA-N 447.372 5.947 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(Br)ccc2Cl)o1 608946010 UYBAZQSVYSMTTE-UHFFFAOYSA-N 431.673 5.398 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N[C@H](c3ccc(F)cc3)[C@H]3CCCO3)c2)cc1 609208418 JSDPZGAQBFCDRZ-DNQXCXABSA-N 431.467 5.531 30 20 IKED Cc1ccccc1CN(Cc1ccccc1)C(=O)Nc1ccccc1SC[C@@H](C)C#N 609398839 WEMMBNJQLOXOPM-FQEVSTJZSA-N 429.589 6.481 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 609435522 UEAIFMSGVRQBMZ-XMSQKQJNSA-N 443.572 6.393 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2ccccc2CN2CCc3ccccc32)c1 609501299 DHBYMTZJMZHCIS-UHFFFAOYSA-N 425.532 5.309 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)c1C#N 609667876 QHFAHMLILMMKOS-WJOKGBTCSA-N 447.585 5.113 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCSC[C@@H]1c1ccccc1 609683346 QLPQSXSANRKJRS-XMMPIXPASA-N 429.545 5.981 30 20 IKED CCOC(=O)Cc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 610022468 FQUHLFBYZPAAMK-UHFFFAOYSA-N 445.494 5.037 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2ncc(C(C)C)n2C(C)C)n(C2CCCC2)c1C 610033994 IHZGJDZBDPOQIP-UHFFFAOYSA-N 427.618 5.723 30 20 IKED C[C@@H](NC(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1cccc(C#N)c1 610405135 XMENONMLXIWCSX-OAHLLOKOSA-N 440.425 5.325 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)c(Cl)c1 611094053 YNIWGPNQILKFAM-UHFFFAOYSA-N 441.752 5.773 30 20 IKED CN(C(=O)c1cc2ccccc2n1CC#N)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 611973464 GKHKUORVLBZBPZ-GOSISDBHSA-N 439.359 5.559 30 20 IKED N#Cc1ccccc1/C=C\c1nc(Cc2nc(O)c3c(-c4ccccc4)csc3n2)no1 612867114 RGFRWBBFNGFFPG-KHPPLWFESA-N 437.484 5.080 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 615971393 JJCDVAXPHRMLEX-UHFFFAOYSA-N 433.508 5.336 30 20 IKED N#Cc1ccc2c(c1)CCC[C@H]2N[C@H](Cc1ccccn1)c1ccc(Br)cc1 616094703 VXCFIUGPTWTDQY-DNQXCXABSA-N 432.365 5.667 30 20 IKED CN(C(=O)N[C@@H]1CCc2cc(C#N)ccc21)[C@H]1CCSc2ccc(Br)cc21 618840417 CZTLAXIAKROZFJ-MOPGFXCFSA-N 442.382 5.187 30 20 IKED O=C(N[C@H]1CCCC(F)(F)C1)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 676193386 DDPNHUGAANWUSI-JTQLQIEISA-N 441.322 5.218 30 20 IKED C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 679567273 GSGKJIVXXXCVDI-DTWKUNHWSA-N 444.326 5.412 30 20 IKED N#CCOc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)c1 727709033 SJCLVKQVDYDXSJ-UHFFFAOYSA-N 428.423 5.061 30 20 IKED CCCCC[C@@H](NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)c1ccccc1 728145448 AEWGAUAWGWWQAQ-OAQYLSRUSA-N 442.519 5.122 30 20 IKED Cc1c(O)ccc2c(CNc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc(=O)oc12 728299716 VLKAHHLSYSTISM-UHFFFAOYSA-N 430.435 5.009 30 20 IKED Cc1cc(C(=O)Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)c(C)n1[C@H](C)c1ccccc1 728705441 WSMSCMIYWKPONV-QGZVFWFLSA-N 443.934 5.437 30 20 IKED Cn1c([C@@H](C#N)C(=O)[C@H](Oc2ccc(F)cc2Cl)c2ccccc2)nc2ccccc21 730688114 ZVFPHUCBERDNJC-GAJHUEQPSA-N 433.870 5.362 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 730996310 XOPCPESOYALDLA-UHFFFAOYSA-N 429.807 5.525 30 20 IKED C[C@H](C#N)CSc1ccccc1NS(=O)(=O)/C=C/c1ccccc1Br 730997766 UABLEBPVNRZLLC-PLSXKVAHSA-N 437.384 5.113 30 20 IKED Cc1ccc2c(CC(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)coc2c1C 731060832 QJVGWYQSNGCBRD-OAHLLOKOSA-N 436.533 5.026 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)/C=C\c1ccc(C(C)(C)C)cc1 731070469 LYIYOGRCVVFWSE-DEQJRXDXSA-N 436.577 5.573 30 20 IKED N#C[C@@H](NC(=O)Cn1c(SC(F)F)nc2ccccc21)c1ccc(Cl)c(Cl)c1 731646141 YKGJLCKJMUHNLU-CQSZACIVSA-N 441.290 5.039 30 20 IKED O=C1/C(=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC/C1=C\c1cccc([N+](=O)[O-])c1 733083071 BXUJHYQZBUJTFG-VGJYFWKZSA-N 433.445 5.456 30 20 IKED Cc1cc(Br)c2c(c1)C(=NNc1cc(C)c3cc(Cl)ccc3n1)C(=O)N2 735611722 BZNVPJPNQCJOED-UHFFFAOYSA-N 429.705 5.036 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)CCc3nc4cc(Cl)ccc4s3)c2)s1 739595668 MOAAMVGPABRBMT-UHFFFAOYSA-N 437.977 5.799 30 20 IKED COCC[C@@H](Cc1cccc(Br)c1)C(=O)[C@H](C#N)c1ccc2ccccc2n1 741429391 WMKIHTQKIGRFBW-AZUAARDMSA-N 437.337 5.069 30 20 IKED O=C1/C(=C\c2cc(Br)cs2)COC/C1=C\c1cc(Br)cs1 741448221 SNVMYPPSPWYISA-NTXSPULPSA-N 446.185 5.401 30 20 IKED CCc1cc(NN=C(C)c2cnn(-c3cc(C)ccc3C)c2C)nc(-c2ccccn2)n1 741764665 UHRJCMURJKGYJN-UHFFFAOYSA-N 425.540 5.048 30 20 IKED N#C[C@@H](C(=O)CCCOc1cccc(Cl)c1Cl)C(=O)Nc1ccc(F)c(Cl)c1 743450338 ZRBRSEHVNFKOBM-LBPRGKRZSA-N 443.689 5.292 30 20 IKED CCOc1cccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)c1 743538864 QYYAAIGSVYRKRZ-FMIVXFBMSA-N 426.925 5.776 30 20 IKED Cc1c(Br)cccc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 744030815 MBOGROMBLHFCQX-GFCCVEGCSA-N 426.097 5.026 30 20 IKED C[C@H](OC(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@H](C)c1nc2ccccc2s1 749220568 OXXCUSACPZGDLT-ROUUACIJSA-N 435.549 5.059 30 20 IKED N#C[C@H](C(=O)C[C@@H]1CSCCS1)c1nc(-c2ccc(Cl)cc2Cl)cs1 752476009 IXYOZECBCNDKLS-DGCLKSJQSA-N 429.419 5.532 30 20 IKED Fc1ccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)c2ncccc12 759193210 GPBVNCNZDZDEJP-UHFFFAOYSA-N 448.310 5.022 30 20 IKED COc1cccc(-c2nn(C(C)(C)C)cc2C=Nn2c(S)nnc2-c2ccccc2C)c1 759648194 IWORQNMBIKHPKE-UHFFFAOYSA-N 446.580 5.052 30 20 IKED N#C[C@H](C(=O)/C=C/SCc1ccco1)c1nc(-c2ccc(Cl)cc2Cl)cs1 759835783 VRZRBDHWCSEUJB-KEDPEKRHSA-N 435.357 6.333 30 20 IKED Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 761489316 VLYJVPYJMMEIRS-UHFFFAOYSA-N 434.879 5.416 30 20 IKED C=CCn1c(-c2ccccc2C)nn(CN2C[C@H](C)O[C@@H](c3ccsc3)C2)c1=S 765083629 SADSCRVOGAUXSL-FXAWDEMLSA-N 426.611 5.057 30 20 IKED C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 766725295 XTFVWVWCCYHBLW-HXOBKFHXSA-N 434.536 5.232 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2c(C)cc(C)cc2Br)ccc1OC 770275721 VFIHEWVMEBBAAL-MRXNPFEDSA-N 446.345 5.077 30 20 IKED N#Cc1cc(/C=C(/Cl)c2nc3cc(-c4ccc(F)cc4)sc3c(=O)[nH]2)ccc1F 770570999 MPYRFBWVCYIBAY-OVCLIPMQSA-N 425.847 5.538 30 20 IKED N#Cc1ccc(/C=C2/CC3(CCOCC3)C/C(=C\c3ccc(C#N)cc3F)C2=O)c(F)c1 772801070 IRTGZOGRVGJQBZ-ZCJKAFFOSA-N 430.454 5.335 30 20 IKED Cc1nc(C2CCCCC2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 775226451 DSKRVGUCHKPRAB-AWEZNQCLSA-N 436.364 5.767 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1 780178393 SRSJWEIWSACKEN-ZDUSSCGKSA-N 428.275 5.724 30 20 IKED CC(C)(C)OC(=O)NCCCCC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 781768847 GCYYIEIDVRATAT-CYBMUJFWSA-N 441.475 5.186 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 786302708 APFKTKODXCIFGQ-JHJVBQTASA-N 426.897 5.167 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)[C@@H](C)c1ccc(Cl)s1)c1ccc(Cl)cc1Cl 787049996 NOKVJEKUAVAVQN-OUJBWJOFSA-N 429.756 5.398 30 20 IKED COc1cc(OC)cc(Oc2ccc(/C=C\C(=O)c3ccc(C(=O)N(C)C)cc3)cc2)c1 792923423 JLBTZRZLPBOTRP-AUWJEWJLSA-N 431.488 5.094 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(Cl)cc3)c2)cc1OC 796743857 HAGROCPYBXNHMT-QGZVFWFLSA-N 440.908 5.047 30 20 IKED COc1cc(/C=C/C(=O)c2ccccc2C#N)ccc1OCC(=O)Nc1ccccc1Cl 799498461 JZXPCURURFRTEW-ZRDIBKRKSA-N 446.890 5.134 30 20 IKED COC(=O)c1cnc(N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1C(F)(F)F 804344737 OYRBGUKYOJUJIZ-BRPSZJMVSA-N 438.290 5.208 30 20 IKED O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1cc(F)c(C(F)(F)F)cc1F 804650126 AGXMCJVHIDQYMN-UHFFFAOYSA-N 431.254 5.706 30 20 IKED CN(CCc1nc(-c2ccccc2)no1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 806200464 FAEIEQHSMFNPIQ-HSZRJFAPSA-N 437.503 5.098 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3cc4ccccc4cc3NC(=O)C3CC3)cc2)ccn1 811613049 QWPOZPNWQGRRLR-UHFFFAOYSA-N 448.482 5.500 30 20 IKED Cc1ccc(-c2n[nH]cc2C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 812404245 YRWUINMFNSZPIH-UHFFFAOYSA-N 425.517 5.014 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 812907343 UWLJTJCPICUCBE-SFHVURJKSA-N 426.259 5.809 30 20 IKED CC(=O)N(c1ccc(NCc2cccc(OCc3cccc(C#N)c3)c2)cc1)[C@H]1C[C@@H]1C 815163037 GXTCKSKIJJLISZ-PPHZAIPVSA-N 425.532 5.511 30 20 IKED N#C[C@@H](C(=O)COc1ccc(Cl)c(F)c1)c1nc2cc(C(F)(F)F)ccc2s1 815913250 LRUCASLRROOVIC-NSHDSACASA-N 428.794 5.363 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)cc1 915085905 CRIFAZDFTXCWLP-SANMLTNESA-N 445.522 6.096 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCNC(=O)C34CC5CC(CC(C5)C3)C4)n2)cc1 915102356 XXCTYTFXLZFBLC-LPOHCXMGSA-N 447.604 5.018 30 20 IKED N#Cc1cccc(COc2cccc(C=Nn3c(S)nnc3-c3cccc(Cl)c3)c2)c1 915951256 JQHWCLSXFLMXHX-UHFFFAOYSA-N 445.935 5.220 30 20 IKED CCOc1cccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)c1O 916272624 FQWRQDAGEHLDHD-UHFFFAOYSA-N 439.924 5.073 30 20 IKED N#C[C@@H](C(=O)CCCc1ncc(-c2ccccc2)o1)c1nc(-c2ccc(Cl)cc2)cs1 916976830 VATWXADCUQGYBX-IBGZPJMESA-N 447.947 6.318 30 20 IKED C=CCn1c(COc2ccccc2F)nn(CN(Cc2cccc(F)c2)C(C)C)c1=S 919953056 FGDIWCUVRPAAAT-UHFFFAOYSA-N 444.551 5.325 30 20 IKED N#C[C@@H](C(=O)Cc1coc2cc3c(cc12)CCC3)c1nc(-c2c(F)cccc2F)cs1 920805881 GWHLLNQVRHYYBO-KRWDZBQOSA-N 434.467 5.742 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-n3ccnc3O)cc2)cc1Cl 1141628179 NNMNBTNBMJQLBJ-OAQYLSRUSA-N 428.879 5.139 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4c(C)cccc4[nH]3)CCC2)cc1 1786367026 SMQBBACRZGSDMN-UHFFFAOYSA-N 445.563 5.207 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3[C@H]4c5ccccc5S[C@H]43)cc2)CCC1 1789529397 GVGCSRKNCYKNAM-AZIXLERZSA-N 432.589 5.221 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccnc4ncccc34)cc2)CCC1 1790900076 BXRKKGQJWSWELJ-OAQYLSRUSA-N 440.547 5.146 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CSC2CCCC2)n[nH]1 1815181449 NHTJYKZNWXNYOH-LJQANCHMSA-N 432.634 5.070 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3cnccc23)CC1 1828653241 PVCOSSGRJJNMKW-BVAGGSTKSA-N 445.607 5.237 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(CCCCC)s2)CC1 1831141461 PTSPESVRTRWWON-CTNGQTDRSA-N 445.673 5.321 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(C(C)C)cc2)CC1 1831449067 WXGZIJOUIJXWLT-HSZRJFAPSA-N 446.582 5.184 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cc3c(ccc4ncccc43)s2)C1 1844639476 FCBCIPSSLLIVOQ-GOSISDBHSA-N 445.588 5.035 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1)=C(/S)Nc1cccc(OC)c1 11259228 HXEUPAQUVIMIKU-UHFFFAOYSA-O 425.961 5.249 30 20 IKED C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccc(Cl)cc1Cl 14133486 DDWKQVUFWIISBS-UHFFFAOYSA-N 447.391 5.786 30 20 IKED C=CCn1c(SCc2c(C#N)c(C)nn2-c2ccccc2)nnc1-c1cccc(C)c1 18972650 UKZVQVDBCSWCJE-UHFFFAOYSA-N 426.549 5.098 30 20 IKED C=CCn1c(SCCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccccc1 59776100 RROSBSXDEKOTDR-UHFFFAOYSA-N 433.364 5.559 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](COc1ccccc1F)c1ccccc1 63402681 LQYYIZRPTSPLNF-XMMPIXPASA-N 429.495 5.215 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccccc1Oc1ccccc1Cl 63423814 OIBJLRTYDWASKV-UHFFFAOYSA-N 445.906 5.157 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(OCc2cccnc2)c1 71934284 INPKTQDLJJIUFP-UHFFFAOYSA-N 437.524 5.936 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(NC(=O)C(C)C)cc1 109908140 JMOHTTXZWDNVFH-UHFFFAOYSA-N 433.321 5.011 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(I)cc3)n2)cc1 142274407 IXKYVHMDRBQSCX-INIZCTEOSA-N 444.297 5.213 30 20 IKED Cc1cc(Br)ccc1NC(=O)CNc1c(C#N)cnc2c(F)ccc(Cl)c12 195661682 RAXUHKZUUVMWOX-UHFFFAOYSA-N 447.695 5.021 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)nnc1-c1ccccc1F 218660228 NDTINSOWKKXXED-IRXDYDNUSA-N 436.556 5.119 30 20 IKED C=CCNC(=O)Nc1ccc(NCc2cn(C(C)(C)C)nc2-c2ccccc2Cl)cc1 236785071 DNXSCIDJOHPXIO-UHFFFAOYSA-N 437.975 5.878 30 20 IKED COc1ccc(CN[C@@H](c2ccc(Cl)cc2)c2ccsc2)cc1OCCCC#N 237308588 WPSZASHDXCDJRY-QHCPKHFHSA-N 426.969 5.972 30 20 IKED C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1cccc(N2CCCC2=O)c1 237597943 VUGKHIYTPHXOLI-FQEVSTJZSA-N 425.532 5.115 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NCc3ccc(COCC(F)(F)F)cc3)c2)cc1 303220521 VCNONMGJZUBTRZ-UHFFFAOYSA-N 440.421 5.359 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 303287892 LUGVZQPFOZTGFF-GOSISDBHSA-N 427.529 5.641 30 20 IKED C[C@H](Sc1ccc(Br)cc1)C(=O)Nc1ccccc1SC[C@H](C)C#N 303306723 PSVBWNPWYBABMM-KGLIPLIRSA-N 435.412 5.820 30 20 IKED CCc1noc(-c2ccc(C)c(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)c2)n1 430432174 QEXJRVHJZPJABD-UHFFFAOYSA-N 438.487 5.310 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1F 438672847 ROWVWTHMLRFTIH-UHFFFAOYSA-N 426.451 5.561 30 20 IKED C[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)N[C@H](C)c1cc2ccccc2o1 439561563 OFQGHDVTTRIUBJ-MOPGFXCFSA-N 439.515 5.561 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1ccc(Oc2ccccc2C#N)cc1 439575168 SKQFQVZBRFVFIG-LJQANCHMSA-N 440.503 5.106 30 20 IKED COCCc1nc2cc(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)ccc2o1 439987348 KCUWKAGCMABKHD-UHFFFAOYSA-N 429.501 5.292 30 20 IKED C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H]1c1ccc(Br)s1 460369042 HTHSCYPUDTURHF-OAHLLOKOSA-N 430.375 5.082 30 20 IKED Cc1ccc([C@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)cc1 461673636 WDSYJTLSUMMTCY-BJKOFHAPSA-N 427.552 5.036 30 20 IKED C[C@H](C(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1)c1cccc(C#N)c1 462594873 RUBDQNKERRBILS-YVEFUNNKSA-N 425.248 5.234 30 20 IKED N#CCCCn1cc(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)c2ccccc21 469419269 BIGQTBNYLAYVQX-JGCGQSQUSA-N 441.556 5.505 30 20 IKED CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)C(=O)CCc1c(C)nc(O)c(C#N)c1C 471313270 URMRBDZMZUNIKZ-HSZRJFAPSA-N 427.976 5.498 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1noc(-c2ccccc2)n1 473791701 ZFVZHHUZHCQFCT-MRXNPFEDSA-N 425.448 5.283 30 20 IKED N#CC[C@@H](CC(=O)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21)c1ccccc1 475114263 AJANYUUCDDAJHL-NRFANRHFSA-N 441.506 5.445 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1 475581413 JEYOSVMZKCNFEA-HXUWFJFHSA-N 428.536 5.036 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 475587841 WJZIQIDZLKHDNO-RSXGOPAZSA-N 431.624 6.057 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 476109143 LMXCTRZDLBVOHI-JOCHJYFZSA-N 434.580 5.185 30 20 IKED C[C@H](SCC(=O)Nc1cccc(C#N)c1)c1nc(-c2cccc(C(F)(F)F)c2)no1 476197660 NYCHICGXRNTQNS-LBPRGKRZSA-N 432.427 5.060 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(Nc3ccc(F)cc3)CC2)cc1 479562025 WSDFRIPXSXMNKU-UHFFFAOYSA-N 431.536 5.565 30 20 IKED C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 480383536 BUQBPTDDLOTDAT-SMDDNHRTSA-N 430.364 5.298 30 20 IKED N#CC[C@H](CC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F)c1ccccc1 483302599 BUVPEAZBQXTWJF-MRXNPFEDSA-N 441.409 5.577 30 20 IKED CCCCn1ncc(NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1C(C)C 485057572 NBECPKXLEBYSJO-UHFFFAOYSA-N 445.523 5.048 30 20 IKED COc1cc(C[S@](=O)Cc2cc(F)c(C(F)(F)F)cc2F)ccc1OC(F)F 488737183 GQYXZZAPQCFCCP-NDEPHWFRSA-N 430.341 5.043 30 20 IKED Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3S[C@H](C)CC#N)o2)c(C)c1 488811307 RXNRFGTTYROEJB-MRXNPFEDSA-N 438.578 5.479 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@H](c2ccccc2)C2CCCC2)nnc1-c1ccncc1 489397559 XNMOBMPTYPIAIT-HSZRJFAPSA-N 447.608 5.056 30 20 IKED N#Cc1ccccc1-c1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1 489441467 DVEGBAYOIYCZFB-UHFFFAOYSA-N 449.539 5.812 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3nnc(/C=C\c4ccco4)s3)c2)c1 490316303 PNTZLYBHRGAWDB-KTKRTIGZSA-N 428.473 5.004 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1 491042165 YWTXLVJQYGYNSC-SFHVURJKSA-N 447.560 5.085 30 20 IKED CC[C@@H](C)c1ccc([C@H](NC(=O)CCc2c(C)nn(CCC#N)c2C)c2cccs2)cc1 493665371 CWYSLEDPCHUXSA-DWXRJYCRSA-N 448.636 5.827 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccc(C(F)(F)F)cc2)cc1C 497297304 SYJSTQYTTXYJOR-UHFFFAOYSA-N 426.442 5.029 30 20 IKED Cc1cn(-c2ccccc2Cl)nc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 500443975 WMQQIQWMDVSXSB-ZDUSSCGKSA-N 425.826 5.069 30 20 IKED COCC1(C#N)CCN(C(=O)N[C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)CC1 501880861 JLLQQKMSOPOJRA-FQEVSTJZSA-N 432.351 5.045 30 20 IKED C=CCn1c(SCC(=O)Nc2cccc(SCC)c2)nnc1-c1ccc(Cl)cc1 505153158 QNQMQSDEHOGXGH-UHFFFAOYSA-N 445.013 5.627 30 20 IKED N#Cc1cccc(C2(NC(=O)N[C@@H](c3cccc(C(F)(F)F)c3)C3CCOCC3)CC2)c1 505386161 GXGSZNQAAIKNMM-OAQYLSRUSA-N 443.469 5.033 30 20 IKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CN(CCC#N)Cc2ccco2)c1 505765776 IAQDERLVLFOVGR-UHFFFAOYSA-N 442.519 5.065 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@@H]([C@@H]2CCOC2)C1 508839676 HAIWAWXNBFUHMG-WWPVKYPJSA-N 432.568 5.010 30 20 IKED COc1cc(C(=O)Nc2cc(C#N)ccc2OC(C)C)cc(OC)c1OCc1ccccc1 509576865 ZBBJSCJRXRTFQH-UHFFFAOYSA-N 446.503 5.194 30 20 IKED CNC(=O)c1ccc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 510006061 NUNCLGVQOBXFHU-QFIPXVFZSA-N 446.938 5.019 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(Oc2ccncc2)c(Cl)c1 510140530 REVFXFIVXFBCBT-UHFFFAOYSA-N 430.813 5.328 30 20 IKED N#CC1(F)CCN(Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CC1 510949911 JTWHQTXDKJXKEJ-UHFFFAOYSA-N 439.332 5.129 30 20 IKED CC(C)c1ccc(CN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 511345045 YMRYIOVYAFYVIR-UHFFFAOYSA-N 427.548 6.119 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1nc(O)c2cc(-c3ccccc3)sc2n1 512536411 IJNYEISVTOLTQT-UHFFFAOYSA-N 433.581 5.420 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c(C)n1C1CCCCC1 513666224 KWEVRQVGKVCMBD-LJQANCHMSA-N 448.592 5.689 30 20 IKED C=CCn1c(S[C@@H](C(=O)N2CCCc3ccccc32)C(C)C)nnc1-c1ccoc1C 514986055 QZPRKBPKDJTAPP-OAQYLSRUSA-N 436.581 5.129 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(OC)cc3)n2)nnc1-c1ccc(OC)cc1 515181534 BWVAQUHDVHQDIC-UHFFFAOYSA-N 434.521 5.096 30 20 IKED N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)c1nc2ccccc2o1 515597620 SGEDQFYGIVRTTA-QGZVFWFLSA-N 449.875 6.031 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccsc2)cc1Cl 517126751 VABJMTGVACYSGL-RBBKRZOGSA-N 449.963 5.359 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C3CCC(NC(=O)CC4CCCC4)CC3)cc2)c1 517507932 ACUQBKXSEDUAGW-UHFFFAOYSA-N 445.563 5.544 30 20 IKED CCOc1ccc(OC)cc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 520602382 KDLWMNKWQIDUJC-UHFFFAOYSA-N 433.483 5.339 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1 521075522 XGDKRKTUQJXJBH-MRXNPFEDSA-N 436.537 5.486 30 20 IKED Cc1cccc([C@@H](C)NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1C 522438382 SIEQCRANAMJGPP-OAHLLOKOSA-N 449.498 5.144 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)c1 522594966 LRNOSAXEYPNUJP-UHFFFAOYSA-N 437.455 5.235 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2C[C@@H]3CCCN3c3ccccc32)c1 523877300 RMIXRCGXRQMBJK-FQEVSTJZSA-N 429.907 5.633 30 20 IKED CCN(CC)C(=O)c1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 523881910 YQOTYPBTVJIQOA-UHFFFAOYSA-N 447.922 5.738 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 524832249 SUNFTIBJOSHRAL-SFHVURJKSA-N 438.487 6.197 30 20 IKED C=CCN(C(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1nc2c(s1)CCCC2 531086293 VOTWIVNUZQWHTQ-UHFFFAOYSA-N 444.560 5.081 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)[C@H](OC3CCOCC3)c3ccccc3)cc2)c1 535355422 ROLROHAZDKDPPS-AREMUKBSSA-N 442.515 5.013 30 20 IKED C=CCn1c(SCc2nnc(C)n2C2CC2)nc2scc(-c3ccc(C)cc3)c2c1=O 537047456 MZOXRHHBIMJYKJ-UHFFFAOYSA-N 449.605 5.147 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(Cc1cccc2ccccc12)c1ccccc1 538438234 UUVKMGSRPASGPY-UHFFFAOYSA-N 435.527 5.595 30 20 IKED C=CCN(C(=O)[C@@H]1CCC(=O)C[C@@H]1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 538451401 URMZJRDFVCSNAA-FDDCHVKYSA-N 430.573 6.001 30 20 IKED N#CCCn1cc(CNc2nnc(Cc3cccc4ccccc34)o2)c(-c2ccccc2)n1 539708635 BLWVKHZDYVQYNV-UHFFFAOYSA-N 434.503 5.203 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 539761498 KNBKHIGPRVSJCV-MJGOQNOKSA-N 446.580 5.277 30 20 IKED O=C(CN[C@@H](c1cccc(F)c1F)C(F)(F)F)Nc1ccc(Cl)cc1C(F)(F)F 542262587 BZBIIOYEPNKDLH-HNNXBMFYSA-N 446.725 5.469 30 20 IKED N#Cc1cc(C(=O)N2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)ccc1Cl 542536211 CYAAQJJSUSTOHD-SFHVURJKSA-N 436.726 5.152 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)cc1 542542886 FEGLSBGFRJABGJ-UHFFFAOYSA-N 439.537 5.045 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCc1nc(-c2cccc3c(Br)cccc23)no1 545761221 HPGMUIAMQAIPQB-UHFFFAOYSA-N 449.308 5.027 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 558995478 DUPLDPXVFZESNR-YFJHUXEUSA-N 444.579 5.066 30 20 IKED COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)[C@@H](C#N)c1nc2ccccc2o1 559628362 DRAWVFKXORKAIJ-LJQANCHMSA-N 434.455 5.179 30 20 IKED C=CCOc1c(Br)cc(CN[C@H](c2ccccc2)C2(CO)CCC2)cc1OC 560569558 MRNXXYOOEHQHSQ-JOCHJYFZSA-N 446.385 5.016 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl 561215445 MFLMJYSXNHDKCL-UHFFFAOYSA-N 432.948 5.019 30 20 IKED Cc1cccc(C)c1[C@H](C)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 564511605 XIPBVVRCZKCOHM-HNNXBMFYSA-N 449.498 5.144 30 20 IKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N 570812080 CFDATWXOXQNKTR-LBPRGKRZSA-N 437.487 5.094 30 20 IKED O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 578059681 HKTFJEAAGFMKAS-RDJZCZTQSA-N 436.371 5.540 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1cn(-c2ccccc2)nc1-c1ccncc1 584259190 AZXCIYFCLAASND-UHFFFAOYSA-N 426.568 5.290 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3sc4ccccc4c3Br)CC2)c1 589392931 FMHGTFOZSQXGTO-UHFFFAOYSA-N 441.350 5.219 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cc1 603727927 VTFRLCZWLOTGKV-UHFFFAOYSA-N 447.010 5.227 30 20 IKED C[C@H](CNC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)cc1F 608467124 SLGKUOIKJIDJNS-VWYCJHECSA-N 432.355 5.277 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1Oc1ccccc1 608797757 XFDUYELLEMUJRA-GOSISDBHSA-N 427.504 5.096 30 20 IKED Cc1oc(-c2ccsc2)nc1CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 608870294 IYHAVPMUFDXZOS-UHFFFAOYSA-N 445.519 5.494 30 20 IKED CC(C)C[C@@H](C)N(c1ccc2[nH]ccc2c1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 609019361 QPNPZDSFSIYCQX-OAHLLOKOSA-N 449.498 5.688 30 20 IKED CCCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609056773 GFTQOBXWEOXGBW-FPOVZHCZSA-N 441.984 5.026 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@H](C)c1c(F)cccc1F 609079262 SPXADGCLYVHXEQ-QGZVFWFLSA-N 435.474 5.949 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC(Nc3ccc(F)cc3)CC2)cc1 609306901 JAPMOSOWIVJOBN-UHFFFAOYSA-N 433.458 5.345 30 20 IKED C[C@@H](c1ccc(F)cc1)[S@](=O)CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 609367643 QTJGBXSRRYNXCZ-XGCHSQQGSA-N 441.368 5.312 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1cccc2ccccc12 609403629 MQIGPNFSJQUVCH-FDDCHVKYSA-N 443.572 5.394 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 609428746 ZOMLIYOEUMHFPN-CYBMUJFWSA-N 431.348 5.826 30 20 IKED C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 610015963 WWRSUGCKHVUYRF-WAIKUNEKSA-N 433.914 6.286 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CC1 610156896 FJOVHMHNKOYJQD-OTGCGEFBSA-N 444.453 5.067 30 20 IKED Cc1cccc(-n2nnc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2C)c1 614386163 VGLRVVVQSDRLRO-GOSISDBHSA-N 433.924 5.151 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 615492003 WQZMUTUYMPIVHO-UHFFFAOYSA-N 447.457 5.283 30 20 IKED CC(C)(C)[C@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1 616089766 FWZWXQMHQDRAED-BFJAYTPKSA-N 442.419 6.122 30 20 IKED C=CCN(Cc1cccs1)C(=O)N[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 616133576 TZEUEWUWXHXBMC-SFHVURJKSA-N 437.565 5.190 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 618826417 DBQVAUBFULLRSB-VQTJNVASSA-N 432.524 5.185 30 20 IKED C=CCn1c(Sc2cc3c(nn2)CCC3)nc2scc(-c3ccc(C)cc3)c2c1=O 621740853 LWZDCOVQLIRCMN-UHFFFAOYSA-N 432.574 5.049 30 20 IKED Cn1c(Cc2cccs2)nc2cc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)ccc21 672584001 YWZQJCKJIYNFSH-MRXNPFEDSA-N 446.532 5.464 30 20 IKED O=C(Nc1ccc2nc(C(F)F)sc2c1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 672819176 OOFTZZLJXZYXCY-OCAPTIKFSA-N 433.324 5.438 30 20 IKED C[C@H](CSc1ccc(F)cc1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 674783630 HHWIDPXOGGIXIR-WOPDTQHZSA-N 431.417 5.580 30 20 IKED C=CCC[C@H](NC(=O)C1CCN(c2ccc(C)cn2)CC1)c1ccc(C(F)(F)F)cc1 676731489 ZXJKRAMPOWASLV-NRFANRHFSA-N 431.502 5.449 30 20 IKED C[C@@H](C(=O)N[C@H](C#N)c1ccccc1Br)c1cccc(C(=O)c2ccccc2)c1 677766822 HEZVKKICYODRCQ-OPAMFIHVSA-N 447.332 5.165 30 20 IKED C[C@H](c1ccc(Cl)cc1Cl)N1C(=O)/C(=C/c2ccc(OCC#N)cc2)SC1=S 726626455 CKNBFDCDCUEYHG-HIPMGEKLSA-N 449.384 5.858 30 20 IKED CCCCc1ccc([C@H](NC(=O)NCc2ccc(OCC#N)cc2)c2cccs2)cc1 727844910 UDBLEUCFLWAODD-DEOSSOPVSA-N 433.577 5.582 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 728148200 XUCNKQCTSYGYHH-HXOBKFHXSA-N 441.487 5.205 30 20 IKED Cc1ccc(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(Cl)c1 728297265 GESVHZNLSGIVJI-INIZCTEOSA-N 437.902 5.677 30 20 IKED Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728298590 WXGAKNIGQXTGNC-RBUKOAKNSA-N 431.511 5.263 30 20 IKED Cc1ncccc1/C=C1/CN(Cc2ccccc2Cl)C/C(=C\c2cccnc2C)C1=O 728787902 WGNJFJHXCGCGHL-NQGGHMMCSA-N 429.951 5.299 30 20 IKED CCN(C(=O)c1ccccc1OCC#N)[C@@H]1CCSc2ccc(Br)cc21 728846919 WAMZFMAVYVRPNE-QGZVFWFLSA-N 431.355 5.051 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 729319875 PPUZPBCYCOPSRR-CTNGQTDRSA-N 439.943 5.333 30 20 IKED CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 729552823 MCNXHCFYTUHKET-PKTZIBPZSA-N 448.567 5.205 30 20 IKED CC(C)[C@H](OC(=O)c1cc2ccccc2n1CC#N)C(=O)Nc1ccccc1C(F)(F)F 729766424 HOONSNHMKMOOOP-FQEVSTJZSA-N 443.425 5.004 30 20 IKED N#C[C@H](C(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1)c1nc2ccccc2s1 730070828 BGAQUFKJPOUOQX-HXUWFJFHSA-N 432.932 5.948 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(C3CCC3)C2=O)c1 730463368 WQJKWKMHJUVHBA-JEWPTACZSA-N 441.622 5.307 30 20 IKED Cc1ccc(Nc2nc(Cl)c(C=NNc3cnnc(O)c3Cl)s2)cc1Cl 730568676 WFTZXFWZGYKASS-UHFFFAOYSA-N 429.720 5.097 30 20 IKED Cc1cccc(N(CCC#N)C(=O)COC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc23)c1C 730872229 MIQBWIXYCSLDDL-DNQXCXABSA-N 426.516 5.050 30 20 IKED CN(C(=O)c1ccco1)c1ccccc1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 731003103 BRKSYERWEQBHLU-UHFFFAOYSA-N 437.455 5.472 30 20 IKED N#Cc1ccc(NC(=S)NNc2ccc(Br)cc2C(F)(F)F)cc1Cl 731490746 SELWAQMPRJWOPO-UHFFFAOYSA-N 449.683 5.306 30 20 IKED N#CCOc1ccc(CC(=O)N(Cc2ccccc2OC(F)(F)F)C2CCCC2)cc1 731990793 ISPNQFJGVKNXEW-UHFFFAOYSA-N 432.442 5.001 30 20 IKED O=C(/C=C/c1ncc(-c2ccc(Br)cc2)[nH]1)c1sccc1Br 732714581 VNSWBTCNIMDISA-AATRIKPKSA-N 438.144 5.559 30 20 IKED C#CCN(C(=S)Nc1ccc(C)c(F)c1)[C@@H]1CCOc2ccc(Br)cc21 733087513 UFAOSBMPACTSJR-GOSISDBHSA-N 433.346 5.052 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)c1 733843208 DCRVUULPNFGDRD-GOSISDBHSA-N 427.932 5.664 30 20 IKED CCN(CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C(=O)OC(C)(C)C 734318389 DNXZKFSNRSCDPZ-LJQANCHMSA-N 427.932 5.191 30 20 IKED N#Cc1ccc([C@H](OC(=O)c2oc3ccccc3c2CSc2cccs2)C(N)=O)cc1 734579358 OLYWLKFLAFXKRW-FQEVSTJZSA-N 448.525 5.042 30 20 IKED CC(C)c1nc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)nn1-c1cccc(F)c1 735419249 BXUMMQSYCWSMMP-UHFFFAOYSA-N 426.451 5.288 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccc(Cl)s3)o2)cc1 741476997 WSGYHLWXERERTF-CYBMUJFWSA-N 432.958 5.187 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)N[C@H]1CCOc2ccccc21 741486732 KSACLSMTGFAHOR-QFIPXVFZSA-N 431.536 5.411 30 20 IKED O=C1/C(=C/c2ccc(Oc3cnccn3)cc2)CCc2nc(-c3ccccc3F)sc21 743055553 FKKJNQUVUVFNNG-DTQAZKPQSA-N 429.476 5.744 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccccc3OC)n2)cc1 747018324 HQZHMNVIGOJBHC-IBGZPJMESA-N 433.533 5.122 30 20 IKED COc1ccc(-c2csc3ncnc(NN=Cc4cnc([C@@H]5CCCO5)s4)c23)cc1 755579383 PQZZGXJRUOURGR-KRWDZBQOSA-N 437.550 5.121 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1ccc(F)c(F)c1)c1nc2cc(C(F)(F)F)ccc2s1 756242872 QLDNHGZKCGYPHV-GFCCVEGCSA-N 438.377 5.433 30 20 IKED Cc1cc(C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(C)n1-c1ccc(C#N)cc1 756634637 NBZHGOKKPKHELF-ILBGXUMGSA-N 431.511 5.097 30 20 IKED O=C(COC(=O)c1cc(F)cc(C(F)(F)F)c1)Nc1ccc(Cl)cc1C(F)(F)F 756648404 ZUKMIOIXISGLRX-UHFFFAOYSA-N 443.702 5.312 30 20 IKED O=C(NC1CC1)c1cc(F)c(NN=Cc2sc(Oc3ccccc3)nc2Cl)c(F)c1 763186338 KLTFIOQGXPLPDQ-UHFFFAOYSA-N 448.882 5.205 30 20 IKED C=CCn1c(SC[C@@H](O)c2ccc(C#N)cc2)nc2scc(-c3ccccc3)c2c1=O 763232486 OJRLCICGLSJHJF-HXUWFJFHSA-N 445.569 5.008 30 20 IKED CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 765589692 FQYVWTOHXPPKAB-CZUORRHYSA-N 447.438 5.668 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1nc(-c2c(F)cccc2F)cs1 766852393 LNJFUCYCQSNFPT-SDDRHHMPSA-N 434.389 5.486 30 20 IKED Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl 770099198 IRVDJNVVBNLJSR-INIZCTEOSA-N 437.952 5.392 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2cccc(OCc3cccnc3)c2)cc1 770645634 VNSVOSAZXAJVPW-HHHXNRCGSA-N 433.511 5.497 30 20 IKED N#Cc1ccccc1Oc1ccc(N2C(=O)N[C@@H](c3cccc4ccccc34)C2=O)cc1F 772115154 XSVMBMQIVUBZOF-DEOSSOPVSA-N 437.430 5.440 30 20 IKED C[C@H](NCc1ccc(OCC#N)cc1)c1ccc(-c2ccccc2Br)s1 772960014 PNQJUJPACVDWJV-HNNXBMFYSA-N 427.367 5.931 30 20 IKED Cc1nc(-c2ccccc2F)sc1[C@@H](C)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 777115925 RWBCCZWLQVOVSB-OAHLLOKOSA-N 436.556 5.264 30 20 IKED C[C@H](NC(=O)Nc1ccccc1O[C@H](C)C#N)c1cccc(NC(=O)c2ccccc2)c1 780670857 REKUIFYZSFJZPH-MSOLQXFVSA-N 428.492 5.112 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 780673639 XVIZRIUDPCWFFS-HOCLYGCPSA-N 434.323 5.360 30 20 IKED CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(F)cc1OCC#N 797466136 PDUOEIMSMHXMBX-UHFFFAOYSA-N 448.281 6.066 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2cnn(C3CCCC3)c2)cs1)c1ccc(F)cc1F 799897703 OYOVVKARPFLKSB-CLFYSBASSA-N 442.491 5.314 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)cc1 801032925 FSIASMXTXYMVDB-SANMLTNESA-N 449.551 5.036 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@@H](C)c2ccc(Oc3cccnc3)cc2)cc1 806623404 NMSVRXFMRNTZRZ-SFTDATJTSA-N 428.536 5.168 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3ccccc3NC(=O)c3cccs3)cc2)ccn1 811612625 FRHIKTSLGMMSKA-UHFFFAOYSA-N 440.484 5.312 30 20 IKED N#C[C@@H](C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1cc(C(F)(F)F)ccn1 813214961 GHWCPSBKNBYWDV-XVDDOIRZSA-N 427.264 5.011 30 20 IKED CC(=NNc1c(F)cc(C(=O)NC2CC2)cc1F)c1sc(-c2ccccc2F)nc1C 814871829 LCLAVJKGQUJQRN-UHFFFAOYSA-N 444.482 5.264 30 20 IKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C\C(=O)c1ccc(OCC#N)cc1 916151808 DUXXWPRJWVBXEQ-KTKRTIGZSA-N 445.828 5.651 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ccc(Cl)c(Cl)c2)cs1 916250236 XYRDWKORONSNQU-UHFFFAOYSA-N 439.755 6.234 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3)cc12 916898972 JJUPKDQSKNWCAN-SFHVURJKSA-N 434.908 5.010 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C)n1-c1ccccn1 916976730 FJOILDAVHHYPEH-LJQANCHMSA-N 432.936 5.756 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1 918421357 CRPMWCRMJZDXSH-ZEQRLZLVSA-N 443.934 5.298 30 20 IKED Cc1ccc(OCc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)o2)c(C)c1 920109930 KXYYOYUBZNHGHO-KRWDZBQOSA-N 440.858 5.229 30 20 IKED Cc1cc(/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)cc(C)c1OCc1ccccn1 920750146 URCSEIRZWFALTE-WDZFZDKYSA-N 428.488 5.130 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)cc2)cc1 921035003 KIMTXVUNNPYKNB-UHFFFAOYSA-N 428.448 5.111 30 20 IKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)ccc4[nH]3)CCC2)cc1 1786394245 YJWPQXNTRHNIDJ-OAQYLSRUSA-N 439.556 5.009 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(Br)cs4)cc3)CCC2)C1 1788675725 UTPGCJLMAZFTPX-UHFFFAOYSA-N 445.382 5.225 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5cc[nH]c45)cc3)CCC2)c1 1789093704 KIJTWRMUMYWUIF-UHFFFAOYSA-N 434.499 5.101 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CC=CCC4)CCC3)cc2)c1 1792124768 HJHDOEVTWZDIOG-UXHICEINSA-N 427.548 5.418 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1cccc(C)c1 1796474348 CTBBAFVPWBALIT-UEQSERJNSA-N 443.591 5.077 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCC(F)(F)F)n[nH]1 1815568621 ABKZNBDTFKQVIQ-INIZCTEOSA-N 428.499 5.127 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3ncccc3c2)n[nH]1 1818478330 JHBQLZXCKDXRHG-QFIPXVFZSA-N 445.567 5.256 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(F)ccc3[nH]2)n[nH]1 1818992442 HVXJHDKWEXBCER-XMSQKQJNSA-N 449.530 5.104 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(C)cccc3[nH]2)[nH]n1 1819307019 LXSGDGGXWYYRDI-MBSDFSHPSA-N 445.567 5.274 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 1831783747 NCEGJSWVBGSDGJ-ZNZIZOMTSA-N 434.624 5.178 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cc3c(ccc4ncccc43)s1)C2 1841057696 OVWWMJHNXSUVMU-UHFFFAOYSA-N 447.604 5.259 30 20 IKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(N(C)C)cc2)c1C 10168143 OCODJFPQLMJECV-UHFFFAOYSA-O 444.624 5.197 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2cccc(CO)c2)c1 14872257 FJWGEZTWARUPFA-UHFFFAOYSA-O 447.624 5.377 30 20 IKED N#Cc1ccccc1-c1ccc(COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 23508385 GQKRTECLZBTMDW-UHFFFAOYSA-N 444.490 5.437 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(OC(C)C)cc2)cs1)c1ccc(F)cc1F 58304182 RYFGBQSVPSHIOV-YRNVUSSQSA-N 442.487 5.789 30 20 IKED O=C(/C=C/c1ccc(OCc2ccccc2F)cc1)c1ccc(N2CCC(O)CC2)cc1 112634293 YJHRPNJFOGQMDR-VGOFMYFVSA-N 431.507 5.262 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(OC)c(OC(F)F)c1 303086082 GOYMWXFMBRYNJI-UHFFFAOYSA-N 444.247 5.027 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C3(c4ccccc4Cl)CCOCC3)cc2)cc1 409890002 ZPVOEPNJVCFZLO-UHFFFAOYSA-N 432.907 5.691 30 20 IKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)Nc1cccc(C#N)c1C 431696631 MGXZRDLDMRVDLU-UHFFFAOYSA-N 435.549 5.570 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(c3ccc(F)cc3C)CC2)cc1 432765907 NZCHSIIBDPWLDD-UHFFFAOYSA-N 435.543 5.360 30 20 IKED C=CCSc1ccccc1C(=O)Nc1cnn(-c2cc(F)c(OC)cc2F)c1CCC 435190738 JAWGMEJXRUOMBI-UHFFFAOYSA-N 443.519 5.642 30 20 IKED Cc1ccc(C)c(-n2ncc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2C)c1 435746502 YABYETINTLITHP-HXUWFJFHSA-N 437.528 5.283 30 20 IKED CC(C)(C#N)CCCCSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 436129784 WJPRROHBUFNYGC-UHFFFAOYSA-N 435.597 5.072 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1csc(-c2ccc(Cl)s2)n1 436346036 ZQTKUAWXTGXZOF-SJORKVTESA-N 427.982 5.366 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 436351170 IVGPXPSRWFAQLJ-ZVZYQTTQSA-N 433.499 6.025 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O 439352462 FYWBBMHJSLVISX-ZQJPODCASA-N 433.552 5.452 30 20 IKED CC[C@@H](C)[C@H](C)N(C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)C1CC1 439565073 BNZCMKNYQJIBOR-KGLIPLIRSA-N 441.519 5.075 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cccc(N2CCNC2=O)c1)c1ccc(C(F)(F)F)cc1 441612785 SDXUMTCXEKURBJ-LJQANCHMSA-N 432.446 5.064 30 20 IKED CSc1ccc(C)c(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 441807005 DGAJCPMVCXZHQI-FQEVSTJZSA-N 449.963 5.603 30 20 IKED C=C[C@@H](Cc1nc(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)no1)c1ccccc1 445756748 CTMBFUVKBCUADX-CABCVRRESA-N 430.335 5.309 30 20 IKED C=CCC[C@H](NC(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F)c1ccc(C(F)(F)F)cc1 446461452 ASXWQLURPYWIFI-HOTGVXAUSA-N 434.384 5.049 30 20 IKED C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCc2c(Cl)cc(Cl)cc2[C@H]1C 460766773 DLKZMUCIKHNIAF-CABCVRRESA-N 439.387 5.009 30 20 IKED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 460782653 WGSYKPNJEFQAGH-SXWKCWPCSA-N 448.615 5.266 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2ccc(F)cc2F)n1)c1nc(-c2c(F)cccc2F)cs1 464509692 ZKPFGCLICUFAST-GFCCVEGCSA-N 442.397 5.042 30 20 IKED CC(C)(CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(Cl)c1 470548150 VRUQDDRAUXGGPP-UHFFFAOYSA-N 438.959 5.022 30 20 IKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3)n2C)nnc1-c1cccc(C)c1 472200783 TZTMYERCJQTMKJ-UHFFFAOYSA-N 436.972 5.181 30 20 IKED C=CCN(Cc1cccs1)C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 472442638 BRPQMNDJSMWULH-ZDUSSCGKSA-N 447.358 5.019 30 20 IKED Cc1ccc(Cc2cnc(NC(=O)N(CCC#N)Cc3ccccn3)s2)cc1Cl 473757437 SFBXYZSIMGSKJC-UHFFFAOYSA-N 425.945 5.039 30 20 IKED C[C@@H](SCCCOc1cccc(C#N)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 477376181 SCMPVFOMFSNFKW-CYBMUJFWSA-N 442.890 5.760 30 20 IKED C=CCOc1ccc(CNCc2cc(-c3c(OC)ccc4ccccc34)no2)cc1OC 478304105 OZEOOTNNLYFARM-UHFFFAOYSA-N 430.504 5.367 30 20 IKED CN(C(=O)c1oc2ccccc2c1CSc1ncccn1)c1cc(Cl)ccc1C#N 479574182 LSSZEMCPVJTIGQ-UHFFFAOYSA-N 434.908 5.317 30 20 IKED CC[C@@H](CN(CC)C(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 482238189 DDBCAOJJCKQOBZ-IBGZPJMESA-N 445.523 5.028 30 20 IKED N#C[C@H](C(=O)c1cc(Oc2cccc(Br)c2)ccn1)c1cnc2ccccc2n1 483205087 UYEHOLMTAPJKCB-KRWDZBQOSA-N 445.276 5.070 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)c1cnc2ccccc2n1 483220535 PGZVPGJACKZLNA-INIZCTEOSA-N 434.908 5.117 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 484372978 STZJQUNNNCRPMT-OAQYLSRUSA-N 447.373 5.164 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3cccc(Cl)c3Br)CC2)c1 485204180 FWUDVJASQNQXKQ-UHFFFAOYSA-N 434.721 5.049 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(c3c(F)cccc3F)CC2)cc1 486531520 SJCKGKRKLYXVBA-UHFFFAOYSA-N 439.506 5.191 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2OC)C(C)C)nnc1-c1ccccc1C 488905796 DYXANGIKAPPUCX-OAQYLSRUSA-N 436.581 5.204 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3nc(-c4cc(F)c(F)c(F)c4)no3)o2)cc1 489786874 CJOOYWFCWKPLLC-UHFFFAOYSA-N 446.410 5.061 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2nc3cccc(C)c3[nH]2)cc1 495123798 SZXRQIIVSDYSSM-UHFFFAOYSA-N 426.476 5.115 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1nc(-c2ccccc2)cs1 497864902 NPIAZAAYFSBMCE-INIZCTEOSA-N 432.486 5.332 30 20 IKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)Nc1cccc(OCCCC#N)c1 502256246 LPNNXCNGRWPOKY-UHFFFAOYSA-N 443.507 5.966 30 20 IKED Cc1cc(OCCn2cc(C#N)c(=O)c3cc(Br)ccc32)ccc1C(C)C 502818262 SQJYTTXOFZGAHA-UHFFFAOYSA-N 425.326 5.147 30 20 IKED Cc1cc(NC(=O)c2oc3ccccc3c2COc2ccccc2Cl)nn1CCC#N 504246206 KEOCLPQXSMKNCO-UHFFFAOYSA-N 434.883 5.336 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(OCc2cscn2)c1 504994527 PWSVHILVEOMQKT-UHFFFAOYSA-N 443.553 5.997 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nn1-c1cccc(C#N)c1 505438688 CAWJYHBUIWHFJT-IBGZPJMESA-N 443.919 5.319 30 20 IKED CC(C)(C)c1noc(-c2ccccc2C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)n1 505976740 OEOHSCCEHRTJTG-QGZVFWFLSA-N 429.307 5.336 30 20 IKED C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 508105720 UJEAPTXZBYTNOF-APPDUMDISA-N 435.339 5.473 30 20 IKED CC1(C#N)CCN(C(=O)N[C@H](COc2cccc(F)c2)c2cccc(C(F)(F)F)c2)CC1 508239108 DEHIYWLWCCKZDW-HXUWFJFHSA-N 449.448 5.300 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC(C2CCC2)C2CCC2)cc1Cl 508641886 ZNYFUZUDISMXOD-OAQYLSRUSA-N 435.955 5.019 30 20 IKED C=CCOc1cccc(NC(=O)N[C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)c1 510752798 YLBZRDTVWMQITC-GOSISDBHSA-N 447.510 5.454 30 20 IKED CC(C)Cn1ncc(C(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c1C(F)F 511738244 FQLCYQJRHAIJKR-AWEZNQCLSA-N 441.347 5.112 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 513109527 YXKFIVJEGQCXQG-OAHLLOKOSA-N 446.511 5.198 30 20 IKED Cc1ccc(CCN(Cc2ccco2)C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1 513624487 LHJCAKYWADCVEA-UHFFFAOYSA-N 445.538 5.087 30 20 IKED CCN(CC)C(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 517461801 PHRVTMUXZJCFMJ-UHFFFAOYSA-N 449.498 5.445 30 20 IKED Cc1cccc2c1CC[C@@H]2NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 517954250 AJIKKPFZTPDGNT-QFIPXVFZSA-N 445.906 5.055 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC(COc3ccccc3)CC2)cc1 518467455 MWVYZUQDSCXXFD-UHFFFAOYSA-N 426.516 5.068 30 20 IKED Cc1noc(CSc2ccc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)cc2)n1 519125413 JTIRYOALFHKMHJ-UHFFFAOYSA-N 442.500 5.587 30 20 IKED Cn1c([C@H](C#N)C(=O)c2oc3ccccc3c2CSc2cccs2)nc2ccccc21 520077296 JVUBEOHDMGFPHQ-MRXNPFEDSA-N 443.553 6.163 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cccc(N2CCCC2=O)c1 520938921 GRXVQVNCPYSTSZ-GOSISDBHSA-N 440.503 5.360 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ncc(Cc4ccccc4F)s3)cc2)nc1 521087252 VGSNEHJDSAEDBJ-UHFFFAOYSA-N 430.464 5.184 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CCNC(=O)c3ccc4ccccc4c3)cc2)c1 521324482 VDSFVLBPMMRDFA-UHFFFAOYSA-N 435.483 5.262 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1 521685311 UUMZCOGCUDMPEP-RTWAWAEBSA-N 426.358 5.044 30 20 IKED Cc1ccc(OC2CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)CC2)cc1 522583536 FNUUQBNVDBVJTK-UHFFFAOYSA-N 426.516 5.129 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@H]2c2cccc(Br)c2)c1 524434727 HHKHVTRIKZTQNG-INIZCTEOSA-N 436.256 5.291 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2ccc(C(C)C)cc2)nnc1[C@H]1COc2ccccc2O1 525623271 QAIGTLAXNDVMFC-VGOFRKELSA-N 449.576 5.464 30 20 IKED Cc1sc2nc(CN(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)nc(O)c2c1C 534106943 AIALNROOFPYBOD-UHFFFAOYSA-N 432.524 5.227 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(C)n2[C@H]2CCC[C@@H](C)C2)c1 535332751 KVSSMYBRPFXFNM-PBEJRMEISA-N 439.629 5.382 30 20 IKED O=C(Nc1ccc(F)cc1OCC(F)F)c1cnn(-c2ccccc2F)c1C(F)(F)F 538070081 BPAZWISDILBCCA-UHFFFAOYSA-N 447.310 5.066 30 20 IKED Cc1cc(NC(=O)c2ccccc2Oc2ccccc2C#N)ccc1OC1CCOCC1 538670895 PYIRLZGHFRPALN-UHFFFAOYSA-N 428.488 5.469 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N(c2cccc(F)c2)C2CCOCC2)cc1 539622541 VJIHZUGRRIDINB-UHFFFAOYSA-N 432.520 5.674 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccccc1OC(C)(C)C)c1ccc(-c2cccc(C#N)c2)cc1 542064878 ZGUGEMXYAAUACN-GOSISDBHSA-N 441.531 5.218 30 20 IKED C[C@H]1C[C@H](c2cccnc2)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 543606565 IHCBAGHOEPZHIS-GAJHUEQPSA-N 430.483 5.286 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CNC1(c2ccc(Cl)c(Cl)c2)CC1 553356516 WMNOTAMMTRYMFD-CQSZACIVSA-N 434.392 5.463 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](CO)c1ccccc1Cl 554160947 VKBOHPPADVWFAN-SFHVURJKSA-N 435.911 5.210 30 20 IKED CC1(C(=O)N2CC[C@@H](c3c(F)cccc3F)C2)CCN(c2ccc(Cl)cc2C#N)CC1 557425667 TUIVBZXHOLMDPD-MRXNPFEDSA-N 443.925 5.112 30 20 IKED C[C@@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(Oc2ccccc2)c(F)c1 558651445 GEVJGMDCOCUQFN-LJQANCHMSA-N 444.510 5.341 30 20 IKED N#CCCN(C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2)c1ccc(F)cc1 572270392 UQNVIKAMMYXIPG-UHFFFAOYSA-N 443.309 5.367 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCn2c(cc3c(Cl)cccc32)C1 572330199 ZUBXFYWDYRMODV-INIZCTEOSA-N 438.984 5.143 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 581629202 ISSBCIGRGJAQQE-UHFFFAOYSA-N 437.971 5.042 30 20 IKED CC(C)N(Cc1cccc(F)c1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 586792256 ZECRYMFNIUIDKC-ZIAGYGMSSA-N 428.392 5.655 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 592974356 RBJTUWQKJFPDPO-JTQLQIEISA-N 433.942 6.072 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3ccccc3OCc3cscn3)c2)c1 603638949 QBKYZZSXHKEMGI-UHFFFAOYSA-N 441.512 5.425 30 20 IKED N#Cc1cc(NC(=O)c2ccc(Br)cc2Cl)ccc1OCC(F)(F)F 603897441 HUJCJJBUFWTXRX-UHFFFAOYSA-N 433.611 5.168 30 20 IKED N#Cc1ccc(OCC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)c(Cl)c1 603908500 UXCLMMJKGBXYOZ-HXUWFJFHSA-N 429.907 5.020 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCN2Cc3ccccc3C2)cc1Cl 604485435 DNLMSFSUJBGAEO-QHCPKHFHSA-N 430.939 5.133 30 20 IKED C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 605955628 KZFFTLAEUORJDE-FAAHXZRKSA-N 440.403 5.623 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCCc4cc(C(F)(F)F)ccc43)o2)cc1 609056267 NDOHZOXMXYOOHL-UHFFFAOYSA-N 426.394 5.342 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCCN1CCC[C@@H](C)C1 609079191 OCQNZHPXCPJLSK-HXUWFJFHSA-N 434.584 5.079 30 20 IKED N#Cc1ccc(CNC(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)c(F)c1 609253330 YIOQPUWSBLBRHW-OAQYLSRUSA-N 438.300 5.049 30 20 IKED COc1ccc2oc([C@@H](C)NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)c(C)c2c1 609299698 GEXVQNVYFZRDOQ-MRXNPFEDSA-N 430.460 5.285 30 20 IKED CCOc1cc(CN(C)C(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OC(F)F 609435456 PEVREAHYCBDUMI-OAHLLOKOSA-N 449.523 5.745 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccccc3NCC(F)(F)F)cc2)cc1 609520494 PBHJIAJOFHYVOT-UHFFFAOYSA-N 425.410 5.771 30 20 IKED C[C@H](c1ccccc1)N1CCC(NCc2cccc(OCc3cccc(C#N)c3)c2)CC1 609708318 DKIBREUXXUJKLQ-JOCHJYFZSA-N 425.576 5.452 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 609731448 RHMPETAHECNGGW-UHFFFAOYSA-N 445.906 5.963 30 20 IKED COc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 610015516 KYWNWBYVQMJKFW-AUSIDOKSSA-N 445.950 6.025 30 20 IKED CC[C@@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(F)cc1F 610016731 POAPLKKFQBQMQM-QGZVFWFLSA-N 445.520 5.253 30 20 IKED COc1cccc(Oc2ncccc2CNC(=O)Nc2ccccc2SC[C@H](C)C#N)c1 610167017 NSSQOWLNNITYRC-QGZVFWFLSA-N 448.548 5.456 30 20 IKED Cc1cccc2c(CCC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c[nH]c12 610171105 FXSUMMCGCZOOLA-UHFFFAOYSA-N 425.507 5.649 30 20 IKED C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1nc(-c2ccc(Br)cc2)cs1 614184697 CQIOIZYJQKCEST-OAHLLOKOSA-N 440.410 6.225 30 20 IKED CCCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 622093019 STGZQXXEKZGDRM-FOLVSLTJSA-N 428.392 5.657 30 20 IKED O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 669953474 FQEAKGOJPHDXBM-ZDUSSCGKSA-N 430.339 5.927 30 20 IKED N#C[C@H](C(=O)c1cc(F)c(Br)c(Cl)c1)c1nc2cc(F)ccc2s1 671764144 AUUVEWJPJXQSFK-SECBINFHSA-N 427.657 5.480 30 20 IKED O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 674028800 LFWIYFDDSYIFDW-YYHQMBLXSA-N 442.366 5.564 30 20 IKED O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 678537538 BTONWINAIKNVCQ-HTQZYQBOSA-N 430.299 5.095 30 20 IKED N#C[C@@H](C(=O)CCc1ccc(Cl)c(Cl)c1)c1nc(-c2c(F)cccc2F)cs1 726327735 DEVMVDLEWIOQKS-LBPRGKRZSA-N 437.298 6.204 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C(C)(C)C)cc2)[n+]2cccc(C)c2)c1 726572763 NDBPZWZCGUFJBP-UHFFFAOYSA-O 427.593 5.885 30 20 IKED N#CCOc1ccc(CNC(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)cc1 727677065 LMHILJXMZZOXOQ-UHFFFAOYSA-N 428.385 5.344 30 20 IKED N#CCOc1ccc(CNC(=O)N[C@@H](c2ccc3c(c2)CCCC3)c2cccs2)cc1 727938258 JGUBRILKUIQXBL-DEOSSOPVSA-N 431.561 5.118 30 20 IKED Cc1nc(C)c(-c2csc(NC(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)n2)s1 728307908 WEIVJSFAOYDOHY-UHFFFAOYSA-N 433.562 5.415 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccccc3Cl)C2)cc1 729036801 ROFFSZSRCKTVGB-UPVQGACJSA-N 431.923 5.601 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1sc2cc(C)ccc2c1Cl 729188441 NCZPOJWCKVBQCI-CYBMUJFWSA-N 447.343 5.795 30 20 IKED CC(C)c1cc(=O)oc2cc(OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)ccc12 730953291 CSNDHFLIEPCWSJ-INIZCTEOSA-N 436.533 5.186 30 20 IKED CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1ccc(OCC#N)cc1 731213111 JEOYEUHKRUROFH-UHFFFAOYSA-N 439.865 5.110 30 20 IKED N#Cc1ccccc1COc1cccc(C=Nn2c(S)nnc2-c2ccccc2Cl)c1 731315072 UWWUBZOAFLAKMK-UHFFFAOYSA-N 445.935 5.220 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(CCCCCC(=O)O)C(=O)N[C@H]1c1cccs1 731434064 BBEABRVDSYLCAM-FQEVSTJZSA-N 446.956 5.113 30 20 IKED COc1ccc([C@H]2NC(=O)N(Cc3cccs3)C(c3ccc(F)cc3)=C2C(C)=O)cc1 732038535 NYFNEUGDAIGPLX-JOCHJYFZSA-N 436.508 5.163 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccccc2CSc2nc(C)cs2)c1 733771355 SNEGPQMNIYJSIU-LJQANCHMSA-N 437.590 5.355 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 733851844 LCHZGQKYJQFBAF-IBGZPJMESA-N 434.565 5.066 30 20 IKED CN1CCC[C@@H](CNC(=O)c2ccccc2SCC#N)[C@H]1c1ccc(C(F)(F)F)cc1 735477088 KWPBFUKTCAXCMV-LAUBAEHRSA-N 447.526 5.134 30 20 IKED N#CCSc1ccccc1C(=O)NCC1(c2ccc(Br)cc2)CCCCC1 737983806 HYVVZBGCQNUNPN-UHFFFAOYSA-N 443.410 5.697 30 20 IKED C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 738783388 MWQBFJLHPFNNTM-MRXNPFEDSA-N 442.437 5.178 30 20 IKED N#Cc1cn(CC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)c2ccccc2c1=O 739436566 VRLIBMPIQUKYGN-UHFFFAOYSA-N 443.915 5.356 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)c3ccoc3COc3ccc(C=O)cc3)c2)s1 739750401 SWSXCYZKPOQGPB-UHFFFAOYSA-N 442.496 5.201 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccccc3C(=O)N3CCCCC3)c2)s1 740427717 BWJNRNRKZBYDEP-UHFFFAOYSA-N 444.560 5.235 30 20 IKED CCN(CC)C(=O)c1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 740431720 WRBCNLHFLYGOLT-UHFFFAOYSA-N 432.549 5.090 30 20 IKED CCc1ccc([C@@H]2CCCCCN2C(=O)NCc2ccc(OC)c(O[C@H](C#N)CC)c2)o1 740478649 ICKPZVIPRQMSGC-SFTDATJTSA-N 439.556 5.358 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)c(Cl)c1 740823850 NCCWSQZCPMYILU-HXUWFJFHSA-N 441.959 5.979 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2cccc(F)c2F)cs1 743442601 BAOYWIWKJNMQAM-UHFFFAOYSA-N 440.397 5.571 30 20 IKED Cc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1NC(=O)c1ccncc1 743912414 UAOKCONGQKRVTI-UHFFFAOYSA-N 448.482 5.559 30 20 IKED CCOc1c(Cl)cc(C=NO[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1OC 744445353 NQVBTXFZXYPIIN-ZDUSSCGKSA-N 433.867 5.357 30 20 IKED CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1occc1COc1cccc(C#N)c1 744926236 ARYXPUUREVUAJI-ZWKOTPCHSA-N 446.503 5.428 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN(CCC)Cc2c(F)cccc2Cl)c1=S 746039586 XRIMGEKFFCZMBP-UHFFFAOYSA-N 431.968 5.324 30 20 IKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 746659534 KIJMWWPNGONVQO-UZUQRXQVSA-N 437.465 6.586 30 20 IKED N#Cc1ccsc1C(=O)O[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 748099929 GDPHNRWINZECGK-QGZVFWFLSA-N 430.407 5.175 30 20 IKED N#CCCN(Cc1cccnc1)C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 748725164 ZAVMYKBJJKBTCJ-PLNGDYQASA-N 427.348 5.075 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H](C)Sc1ccnc2cc(Cl)ccc12 750185322 MTUKBUJJKBGMGB-MRXNPFEDSA-N 446.963 5.504 30 20 IKED C[C@H](OC(=O)c1ccc(Cl)c(C#N)c1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 754908553 NEFGUHNSINVSDK-QMMMGPOBSA-N 432.090 5.356 30 20 IKED COc1ccc(C(=O)CC(C)(C)CC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1 760194492 CUNIKDCXNSTVJG-QGZVFWFLSA-N 439.462 5.306 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)Nc3ccc(F)cc3OCC#N)s2)cc1 761662252 BCCZQAMYEPSIPX-MRXNPFEDSA-N 438.528 5.693 30 20 IKED CC(=NNc1nc2cc(C(F)(F)F)ccc2s1)c1ccc(-n2cncn2)cc1Cl 764699318 PPDBUUCMEKJVBZ-UHFFFAOYSA-N 436.850 5.385 30 20 IKED COc1ccc(C=NNc2ccc(OCC(F)(F)F)cc2)c(OCc2cccnc2)c1 766446298 FUFKGUBESDEYGD-UHFFFAOYSA-N 431.414 5.056 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3cc(=O)oc4cc5c(cc34)CCC5)o2)cc1 768461863 NAKQFOCXFICVES-UHFFFAOYSA-N 432.501 5.189 30 20 IKED CCc1cccc(CC)c1NC(=O)COC(=O)c1ccccc1Oc1ccccc1C#N 778179547 MARHOKFGIUDXGL-UHFFFAOYSA-N 428.488 5.271 30 20 IKED Cc1ccc(-c2c[nH]cc2C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)s1 778431356 IKFSVIYMUCRQMG-HNNXBMFYSA-N 439.562 5.241 30 20 IKED C=CCC[C@@H](C(=O)OCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)c1ccccc1 778559014 IRZPWCZUPGOCTD-OAQYLSRUSA-N 441.574 5.007 30 20 IKED Cc1nc(-c2ccccc2)oc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 779196246 AKQRMVBQANYUHL-FQEVSTJZSA-N 437.455 5.404 30 20 IKED CCOC(=O)Nc1ccc(NCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1C#N 779603221 NYESMARGCHEXGE-UHFFFAOYSA-N 449.536 5.188 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](c2ccc(Cl)cc2F)C(C)C)ccc1OC 781937231 OTZDOOWFSAJNJG-VGOFRKELSA-N 447.938 5.365 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccccc3SCc3ccccc3)CC2)o1 792877370 FXTNMYMQRVFTNF-UHFFFAOYSA-N 432.549 5.002 30 20 IKED CCN(C(=O)C1C[C@@H]2CCC[C@H](C1)C2NC(=O)OC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 795497347 CLAFPRLBVTVLFO-NVWZTNFUSA-N 439.600 5.187 30 20 IKED C=CC[C@@H](OC(=O)/C=C\c1cc2cnn(C(C)C)c2[nH]c1=O)c1ccc(Cl)c(Cl)c1 797566935 VYQLIIWSJRPDQH-GXVATQTDSA-N 446.334 5.486 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 797570067 CBXURUPJHQCKMO-WDYCEAGBSA-N 441.597 5.519 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(CCC)cc2)[n+]2cc(O)cc(Cl)c2)c1 797800329 XUHIYLYDOLSIFD-UHFFFAOYSA-O 449.983 5.590 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccnn2-c2ccccc2)cs1 798371320 BADJHLOUTPAJPZ-FMIVXFBMSA-N 432.480 5.049 30 20 IKED CC[C@](C)(C#N)C(=O)Oc1ccc(Sc2ccc(OC(=O)[C@@](C)(C#N)CC)cc2)cc1 807928274 CXXRZOFZDGRKGQ-DNQXCXABSA-N 436.533 5.528 30 20 IKED Cc1ccc(-c2nnc([C@H](C)OC(=O)c3ccccc3N/C=C/C(=O)C(F)(F)F)o2)cc1 809684477 DEDVCYVAKDZIQN-GETOMWPZSA-N 445.397 5.020 30 20 IKED C/C(C=Nn1cnnc1SCc1ccc(Cl)cc1)=C/c1ccccc1OC(F)F 811635901 QAVQHBRLRJSMDD-WXAQVJQXSA-N 434.899 5.763 30 20 IKED C[C@H](CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1ccc(F)c(Br)c1 813068201 WSCQXNIXRGXINS-MFKMUULPSA-N 435.293 5.707 30 20 IKED COC(=O)C12CCC(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)(CC1)CC2 815910798 HVAGGSRIVHNQMW-NYYVNYEXSA-N 428.941 5.153 30 20 IKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cnn1-c1cccc(Cl)c1 915085439 LZCOOPYYMXIPQS-HSZRJFAPSA-N 426.907 5.742 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)/C=C/c2ccccc2OC(F)(F)F)cc1 916703881 RMOKKXJVSYAFQO-MDZDMXLPSA-N 428.332 5.061 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(-c2nc3ccccc3s2)o1 916936271 GBFJBGSYGRGHDH-GFCCVEGCSA-N 439.855 5.310 30 20 IKED N#C[C@H](C(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1nc(-c2ccc(Cl)cc2)cs1 916976951 YDJJQLOCQNRFMC-OAHLLOKOSA-N 445.327 5.307 30 20 IKED COc1ccccc1/C=C(\C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccccc1 917045865 BPSMEBVXAAANFN-QRRJMBGHSA-N 444.943 6.375 30 20 IKED COc1ccc(-c2csc3ncnc(NN=Cc4cnc(-c5ccccc5)nc4)c23)cc1 917539535 OINXTYXXRZTIID-UHFFFAOYSA-N 438.516 5.270 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2Oc2cccnc2)cc1OC 919855825 BSNCPKZELZIWRI-ZRDIBKRKSA-N 436.895 5.753 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)cc1Cl 920111257 KEUNHUSWPPGQCB-LRDDRELGSA-N 438.833 5.209 30 20 IKED N#C[C@H](C(=O)Cc1cc2ccccc2o1)c1nc(-c2ccc(Cl)cc2Cl)cs1 920111851 ZVIZWLJFLKONPD-MRXNPFEDSA-N 427.312 6.282 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)cc3Cl)cc2)CCC1 1786625575 DSJRJFMPNUZWCY-UHFFFAOYSA-N 446.975 5.075 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C(C)C)cc3)CCC2)cc1 1790566102 RRXYJPXDLVDQMQ-IBGZPJMESA-N 435.568 5.359 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cnc(C)s3)cc2)CCC1 1791957734 ODYOBZDRKKCVAC-GNNUASRNSA-N 435.593 5.367 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccnc(C(C)(C)C)c2)[nH]n1 1814826914 GEWHOPBLQOOSIJ-OAQYLSRUSA-N 449.599 5.177 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)CC1 1828045204 ZJSCFPASMXCQRC-NOZRDPDXSA-N 433.596 5.170 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3sccc3[nH]2)CC1 1828711670 KGNFQEOZKJOFNB-SIKLNZKXSA-N 439.625 5.231 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Cl)c2)CC1 1829973935 QGHYZEPNBQOUBE-DHIUTWEWSA-N 429.004 5.342 30 20 IKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(C(C)(C)C)cc2)c1 10167343 BMAFNELYRBEFIB-UHFFFAOYSA-O 439.551 5.909 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)c(F)c1)=C(/S)Nc1cc(C)cc(C)c1 10172553 WPQHAUYQZXVXQW-UHFFFAOYSA-O 425.524 5.482 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OCC(=O)Nc1ccccc1 15349070 BSJGUKPVTGKSRA-XYOKQWHBSA-N 437.442 5.277 30 20 IKED O/C(=N\c1nnc(SCc2ccc(Cl)cc2)s1)c1ccc(Br)s1 21344784 FAYSIZYNNJNNCC-UHFFFAOYSA-N 446.804 5.944 30 20 IKED Cc1cccc(-n2c(SC[C@H](C#N)CCC#N)nc3sc4c(c3c2=O)CCCC4)c1 24086698 BVRQDKMYUZNREY-INIZCTEOSA-N 434.590 5.170 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 64919185 HCDJXLUPSPKIOZ-UHFFFAOYSA-N 436.558 5.255 30 20 IKED COc1ccc(OC)c(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)c1 96924495 GSRYHTAHKLCQAW-YVMONPNESA-N 444.459 5.019 30 20 IKED C[C@H]1CCCCN1Cc1ccc(CNCc2cn(CCC#N)nc2-c2ccccc2)cc1 237528841 QDDHZOOKZPSNCW-QFIPXVFZSA-N 427.596 5.128 30 20 IKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1-c1ccccc1F 255930316 DNUWQGLUAMHJKY-UHFFFAOYSA-N 427.892 5.266 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccc(C(=O)c2ccccc2)cc1 303250916 CALHLNIFIQJSLA-SFHVURJKSA-N 430.529 5.187 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccn(CCc3ccncc3)n2)c1 303613251 BXOZLFZQAFMLFF-UHFFFAOYSA-N 443.894 5.090 30 20 IKED CC(C)CCN(CCC#N)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 429074680 BMPDNOQLHWVGCM-UHFFFAOYSA-N 446.473 5.751 30 20 IKED Cc1c(C#N)cccc1NC(=O)NC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 432261560 DPNKBAMOAXCLRQ-NQIIRXRSSA-N 430.474 5.090 30 20 IKED CC1(C)CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)[C@@H]1c1ccncc1 432678062 FTEVATIMYLEVAE-JTHBVZDNSA-N 430.939 6.005 30 20 IKED CC(C)(NC(=O)c1cccc(Cl)c1)c1noc(-c2cn(CCCC#N)c3ccccc23)n1 436116276 UPHBLGOTWOTLSX-UHFFFAOYSA-N 447.926 5.314 30 20 IKED Cc1cc(C#N)ccc1C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 439864569 SXQHLHWFRNZEPO-UHFFFAOYSA-N 441.384 5.529 30 20 IKED C[C@H](CSCc1ccccc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 439922350 BEBHQPQHCWZJHS-OAHLLOKOSA-N 440.619 5.210 30 20 IKED C[C@@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H]1C 441517135 PXAVUSBTGHYUTB-HMFYCAOWSA-N 444.535 5.164 30 20 IKED C=CCC[C@H](NC(=O)Cc1csc(-c2cccnc2)n1)c1ccc(C(F)(F)F)cc1 441577943 ACCLINFYGINPMW-IBGZPJMESA-N 431.483 5.590 30 20 IKED CC[C@H](C)[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1 442159789 ZWGJIVIAEWTIQA-XFQAVAEZSA-N 444.000 5.434 30 20 IKED N#Cc1ccccc1Sc1ccc(-c2nc(CC(=O)Nc3ccccc3F)no2)cc1 445312773 YXPGIBFFTYDMTM-UHFFFAOYSA-N 430.464 5.080 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cnc(Cc3ccccc3)s2)cc1 446002454 FTYNCUSWGMZGKI-UHFFFAOYSA-N 439.540 5.631 30 20 IKED Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 446338276 ZNKXEOGOCYCLHZ-YGWXTMFKSA-N 447.583 5.152 30 20 IKED CC(=O)c1cccc(O[C@@H](C)C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)c1 460174188 QBUSZOJFGNVDBB-SFHVURJKSA-N 432.907 5.415 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC[C@@](CO)(Cc3ccccc3)C2)cc1 462894478 IGSFCOGDMGATAP-HHHXNRCGSA-N 442.584 5.167 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 464429215 ORAFUHSSEFNEFR-LBPRGKRZSA-N 440.208 5.861 30 20 IKED C[C@H](CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C(=O)c1cccc(F)c1 468407747 JGUHJMKTMSWTLI-GOSISDBHSA-N 430.479 5.318 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CC[C@@H](c4c(F)cccc4F)C3)c2)c1 469460347 GBJVLAYVYCHZMG-GOSISDBHSA-N 446.457 5.110 30 20 IKED N#CCCCn1cc(C(=O)N(Cc2csc(Br)c2)C2CC2)c2ccccc21 469678913 YBFQWQMHOUWPJL-UHFFFAOYSA-N 442.382 5.574 30 20 IKED Cc1coc(-c2ccc(C)c(NC(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)c2)n1 470555727 JTRMFXWEYKGRAR-UHFFFAOYSA-N 429.505 5.521 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCCc3c(O)cccc32)cc1 479263240 ZUGXVXZKUVARKI-XMMPIXPASA-N 427.504 5.236 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](c2ccc(F)cc2)c2cnn(C)c2)cc1 479630835 BSYMKDHWPCBHHA-RUZDIDTESA-N 440.478 5.051 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cccc(Oc3cccnn3)c2)cc1 479813009 DBBXGAHDQYUFDD-UHFFFAOYSA-N 426.407 5.324 30 20 IKED CN(CCCOc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481629866 SNFQPRJDYGIPEN-UHFFFAOYSA-N 433.483 5.209 30 20 IKED CC1(C)CN(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)CC[C@@H]1C(F)(F)F 484167034 AICCIMCKBAJJPL-LBPRGKRZSA-N 432.336 5.332 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c(F)cccc2Br)cc1Cl 486758014 YGSNWQVNSMGUNT-INIZCTEOSA-N 443.703 6.149 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)S(=O)(=O)c1ccc(F)cc1C(F)(F)F 488794646 LJCUTGWBSMNEKM-SNVBAGLBSA-N 429.357 5.245 30 20 IKED C=CCn1c(SCC(=O)N(CCC#N)c2cccc(C)c2C)nnc1-c1ccc(C)cc1 489629617 OWSLUTZOWLKFNT-UHFFFAOYSA-N 445.592 5.095 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Cl)nnc1-c1cccc(Cl)c1 489640302 QIVWHUOMIIVZSQ-ZDUSSCGKSA-N 433.364 5.557 30 20 IKED COc1ccc([C@H](NC(=O)NCc2ccc(C#N)cc2)c2ccc(C(F)(F)F)cc2)cc1 490068513 RXNVIVHBPBHVJZ-JOCHJYFZSA-N 439.437 5.174 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(Nc3cnn(C)c3)c2)cc1 495247466 JIBFWMPSBSFDNW-UHFFFAOYSA-N 439.475 5.089 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@H](c1cccs1)n1cccc1 497113899 JUBAHXRMKAEOJP-XMMPIXPASA-N 441.556 5.927 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2OCC)o1 499582442 ADJMWTYSWWTHFP-UHFFFAOYSA-N 427.551 5.144 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)s2)c(F)c1 503005496 ZUIJURPSYRBGQU-CTNGQTDRSA-N 435.524 5.178 30 20 IKED Cc1cc(C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)nn1-c1cccc(C#N)c1 503518322 VQGCAOSXOFRUDB-UHFFFAOYSA-N 438.453 5.091 30 20 IKED N#CCCN(C(=O)CCc1nc(-c2cccc(Oc3ccccc3)c2)no1)c1ccccc1 504662702 VTULOLHKKCBUJU-UHFFFAOYSA-N 438.487 5.408 30 20 IKED CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1 506635640 LJZPFQWBBFRZKP-NRFANRHFSA-N 448.445 5.044 30 20 IKED CC1(C#N)CCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C4)C3)CC1 507840481 IFTLHKYNQQHELJ-UFTDPOHCSA-N 436.440 5.261 30 20 IKED C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](n2ncc3ccccc32)C1 508735648 XAIVKBPLAIVYLO-IFMALSPDSA-N 442.567 5.022 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 513420793 LAVUSVZUTFEZFL-OAHLLOKOSA-N 441.409 5.195 30 20 IKED N#C[C@@H](C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2s1 513659118 CRUSHTZIGWUXFA-KRWDZBQOSA-N 431.904 5.692 30 20 IKED COc1ccccc1Oc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1F 517780942 WJMXIRGKWPSWRZ-UHFFFAOYSA-N 433.483 5.941 30 20 IKED Cn1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc2ccccc21 518177138 ZVMXKLPUZJHCLO-OAHLLOKOSA-N 426.328 6.099 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(OC(F)F)c(F)c2)cc1 518816900 BVOAZVRQRZVKLI-UHFFFAOYSA-N 428.435 5.843 30 20 IKED Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 520683402 BRSQJDSMKKLOKT-UHFFFAOYSA-N 446.410 5.093 30 20 IKED CCCOc1ccc(Oc2ncccc2CNc2nc(C(F)(F)F)ccc2C#N)cc1 522408812 SQLNDHKTGZTOBT-UHFFFAOYSA-N 428.414 5.560 30 20 IKED Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 523420119 FRXFJMLNQIYVCL-DENIHFKCSA-N 438.531 5.529 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C 524438545 JSWVDTCYRVRUEQ-VWLOTQADSA-N 446.526 5.009 30 20 IKED Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 534453972 ZMIZMYFMEDRIGZ-HNNXBMFYSA-N 439.610 5.719 30 20 IKED Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 535935783 IKFHFUOCOJVMAJ-QHGAOEGBSA-N 440.613 5.539 30 20 IKED CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1cccc(C#N)c1F 538150195 NRAQDMONDAFXQV-UHFFFAOYSA-N 427.829 5.219 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 542107191 AUVOKHHPIUTOHQ-PMACEKPBSA-N 439.441 5.195 30 20 IKED C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(OC(C)(C)C)CC1 549247703 BIPBSNCSIRRYLW-UHFFFAOYSA-N 442.604 5.101 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NC1(c2cccc(C#N)c2)CC1 552815555 UMFJNGAWNJTFRW-OAHLLOKOSA-N 437.952 5.294 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)N[C@H](c1ncccc1C)C(C)C)c1ccc(C(F)(F)F)cc1 553995714 XUUSKOKIPMTPJK-UXHICEINSA-N 447.501 5.046 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N(C)Cc1nc(O)c2sccc2n1 555244362 IBOYXMUSSUBZPI-UHFFFAOYSA-N 442.548 5.021 30 20 IKED COCC[C@@](C)(C#N)NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1 558244795 SQHKWFCFSOAOLJ-IBGZPJMESA-N 427.715 5.488 30 20 IKED Cc1[nH]c2ccccc2c1C1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 561170788 QUNWYATYBYJIES-GOSISDBHSA-N 446.620 5.689 30 20 IKED Cc1cc(C#N)cnc1C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 564105703 GNSLHAQIPPWBBJ-UHFFFAOYSA-N 439.397 5.177 30 20 IKED N#Cc1ccc(NC(=O)N2CCc3nc(-c4ccccc4Cl)sc3C2)c(Cl)c1 574313071 JDOICTULLYYDPY-UHFFFAOYSA-N 429.332 5.579 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F 577973336 GUWBEOBUSMPMAI-UHFFFAOYSA-N 444.885 5.669 30 20 IKED C[C@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C2CC2)o1 583782335 HLDAGKPLJOSVPR-HJPURHCSSA-N 428.492 5.658 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ccc3c(c2)OCO3)n1)c1nc2cc(Cl)ccc2s1 588348867 BMNOURDITNYBRV-GFCCVEGCSA-N 439.905 5.292 30 20 IKED C=CCn1c(SC[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)nnc1-c1ccccc1F 588635815 GPARFSWBUWUVEW-QAPCUYQASA-N 447.963 5.154 30 20 IKED CC(=O)Nc1ccc(N(Cc2ccc(Br)cc2)C(=O)CCCCCC#N)cc1 588925293 KPXFMYCJHDWQKY-UHFFFAOYSA-N 442.357 5.415 30 20 IKED CCCc1c(NC(=O)Nc2cnc(C(F)(F)F)cc2C)cnn1-c1cccc(C#N)c1 589357628 IHCAVKSNFMMWLF-UHFFFAOYSA-N 428.418 5.063 30 20 IKED Cc1c(C#N)c(NC(=O)CCSc2ccc3ccccc3n2)n(Cc2ccco2)c1C 590612874 XUUNMAXHZUIPNO-UHFFFAOYSA-N 430.533 5.287 30 20 IKED CCCN(C(=O)CCCOc1ccc(C(C)=O)cc1OC)c1cc(Cl)ccc1C#N 592428145 MTAMUYXQJCFSGT-UHFFFAOYSA-N 428.916 5.025 30 20 IKED CCn1ncc2c(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)cc(-c3ccccc3)nc21 592973923 LFIURYFZXJMVPF-QGZVFWFLSA-N 441.491 5.357 30 20 IKED N#Cc1cccc(COc2cccc(CNc3ccc(N=S4(=O)CCCC4)cc3)c2)c1 600850664 FVEAMUQLIDQHTC-UHFFFAOYSA-N 431.561 5.643 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)c2C#N)C1 602755003 DTXHJHKTAPYLNM-HTAPYJJXSA-N 443.572 5.244 30 20 IKED Cc1noc(C)c1COc1ccc(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 602756097 OMSZRMQQCWQZQC-AWEZNQCLSA-N 435.549 5.110 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H](Oc3ccccc3)c3ccccc3)c2)c1 603994705 HUOWQDIJGCGDAN-AREMUKBSSA-N 447.494 5.569 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)c1ccc2ccccc2n1 608552924 ZXDIWKULJGFGGL-INIZCTEOSA-N 434.282 6.219 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(Cn3cccn3)c2)cc1 608785101 NYNXXSCWFGAQIT-UHFFFAOYSA-N 439.494 5.176 30 20 IKED N#Cc1ccc(NC(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1Cl 608840254 JHIOGPQMLMMRIC-HNNXBMFYSA-N 442.306 5.327 30 20 IKED CCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 609058556 CBBUHQRVCBGIOX-UHFFFAOYSA-N 430.382 5.400 30 20 IKED CCCn1c(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)nc2ccccc21 609072073 FNRXRGOTRKFZBH-UHFFFAOYSA-N 426.524 5.093 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccn1Cc1cccs1 609072273 HZSJATIBMUTZAQ-UHFFFAOYSA-N 427.529 5.609 30 20 IKED CC(C)c1ccc(C(C)(C)NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 609189028 HQQVPVJQRRTHCM-UHFFFAOYSA-N 446.551 5.198 30 20 IKED CC(C)Sc1ccc(Cl)cc1NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 609209665 JQWPNKYYDAQZAA-UHFFFAOYSA-N 428.989 5.062 30 20 IKED Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)C(=O)c2cc3ccccc3n2CC#N)c1 609218546 RPFFFBYEIYWWLS-UHFFFAOYSA-N 436.515 5.067 30 20 IKED COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 609282215 NCJWYRHMXRZMSH-DEOSSOPVSA-N 427.504 6.118 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 609377683 ZBDOAXBYFQUKPI-SFHVURJKSA-N 439.544 5.438 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 609434728 LZOWMQHWFFNJRB-UWJYYQICSA-N 443.016 5.693 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCCCc1ccc(Br)cc1F 609709956 HJQGUMQZVIBGSE-UHFFFAOYSA-N 432.337 5.014 30 20 IKED CCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@H](C)c1cccc(O)c1 609845091 UBOSCIRNBSJHHA-QGZVFWFLSA-N 433.483 5.597 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cc(Br)c(F)cc2Cl)c1 610578640 PNJVIYQRQPFJNM-UHFFFAOYSA-N 449.663 5.538 30 20 IKED C=CCN(C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)c1nc(-c2ccccc2)cs1 612756133 MEROEZKYNSPRLQ-UHFFFAOYSA-N 449.620 5.052 30 20 IKED CC(=O)c1cccc(S(=O)(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 614888525 AXKMERAJMUYFNC-UHFFFAOYSA-N 426.881 5.007 30 20 IKED CC(C)[C@H](CC(F)(F)F)NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 622543216 DGJPODWLPCLGDM-LBPRGKRZSA-N 425.291 5.196 30 20 IKED O=C(Nc1ccccc1OC(F)(F)F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642468127 WQLAUKDSNCZRJB-RKDXNWHRSA-N 438.290 5.616 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 670203685 VTYQLNIADRAZNB-OAQYLSRUSA-N 443.551 5.096 30 20 IKED O=C(NC[C@H]1CCCC[C@H]1C(F)(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 672732507 LFWIYFDDSYIFDW-NAWOPXAZSA-N 442.366 5.564 30 20 IKED CC(C)(CNC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(F)cc1Cl 674432544 DHOOGYRKNNHFPR-TXEJJXNPSA-N 434.783 5.139 30 20 IKED Cc1cc(F)ccc1-c1ccc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1F 674443254 AGIMKUDOACQUIH-HOTGVXAUSA-N 437.330 5.753 30 20 IKED O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674550845 VCHVWBYKSGPXJO-IUCAKERBSA-N 428.682 5.563 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(CCC(F)(F)F)CC1CC1 674617928 FVDRFLUWTLRLSZ-GHMZBOCLSA-N 428.339 5.270 30 20 IKED COc1ccc(C)cc1-c1csc(NC(=O)c2occc2COc2cccc(C#N)c2)n1 726499307 DGFFCJCBXVHSMX-UHFFFAOYSA-N 445.500 5.423 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(CC(C)C)cc2)[n+]2ccc(C)cc2)c1 726573137 MWOMKSAUUIEVHZ-UHFFFAOYSA-O 427.593 5.786 30 20 IKED COc1cccc(-c2n[nH]cc2/C=C\C(=O)c2ccc(OC(F)F)cc2OC(F)F)c1 728156328 GGIHLRCUIFWOIG-YVMONPNESA-N 436.361 5.184 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccccc3C(=O)NCc3ccco3)c2)cc1 728462364 NCODMOMDJFECTJ-UHFFFAOYSA-N 437.455 5.126 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](CN3CCCCCC3)C2)cc1 728687842 OTRWTLJTELGYDR-ATIYNZHBSA-N 430.596 5.462 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3Cl)n2)cc1 730692151 URCKLAXECAQWNS-KZNAEPCWSA-N 438.339 5.969 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 730949611 XZJOOBWFXZPJAT-LBPRGKRZSA-N 444.563 5.187 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc(Oc2ccccc2)c1 731059482 BGLRBEXAPNRMLS-SFHVURJKSA-N 446.528 5.669 30 20 IKED O=C1/C(=C/c2csc(-c3cccc([N+](=O)[O-])c3)n2)COc2c(Br)cccc21 733083327 HQFNUWKKKWNKBI-KPKJPENVSA-N 443.278 5.140 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN(CC)[C@H](CC)c2ccncc2)c1=S 739889164 ZHXCFAOHUJOLMU-HXUWFJFHSA-N 428.005 5.746 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cc(C)c(F)c(C)c2)cs1 741468939 YVFNCFZRVKDPII-TWGQIWQCSA-N 428.916 6.133 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)cc1 743093216 PDYWVIKDGODCRJ-AZUAARDMSA-N 438.314 5.904 30 20 IKED Sc1nnc(-c2ccccc2Cl)n1N=Cc1cc(Cl)ccc1Br 743426460 QMYNOXLJQXZSFZ-UHFFFAOYSA-N 428.142 5.185 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cnc(-c3ccc(OC)cc3)s2)cc1 744030007 YEZIEBQYYIVJRZ-HXUWFJFHSA-N 433.533 5.122 30 20 IKED C=CCN(Cc1cccc(C#N)c1)Cn1nc(-c2ccoc2C)n(-c2ccccc2)c1=S 745162756 WDAGWHBFTRMVKR-UHFFFAOYSA-N 441.560 5.489 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)c2cccc(-c3cscn3)c2)n(C2CCCC2)c1C 745608324 XMIFHMRVSKAUAU-UHFFFAOYSA-N 448.548 5.011 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H]2c2ccccc2Br)c1 755167281 SVLDTEYKSXTYMD-UTKZUKDTSA-N 442.357 5.177 30 20 IKED Cc1ccc(-c2nc(C=Nn3c(S)nnc3COc3cc(C)ccc3C(C)C)co2)cc1 755612515 WRETTXFCOYLQGX-UHFFFAOYSA-N 447.564 5.423 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 764200548 YBQCKPFXERWDFH-SJORKVTESA-N 429.586 5.057 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 767881697 FSPMHWCGJSRZIM-AEFFLSMTSA-N 447.526 5.385 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)C3(c4c(Cl)cccc4Cl)CCC3)o2)c1 773679347 XHYKCZVGFFNZDR-UHFFFAOYSA-N 428.275 5.080 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(COc2ccccc2C(F)(F)F)CC1 775721888 BDZSHDUHUOMGRH-INIZCTEOSA-N 447.457 5.319 30 20 IKED COc1cc(F)c(C(=O)/C=C\c2cccc(Br)c2OC(F)F)cc1OC 776727924 OXQKCTXCHFKPGT-SREVYHEPSA-N 431.204 5.103 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccccc1CC#N 776885967 FBLYONTWOQSRJP-UHFFFAOYSA-N 433.430 5.300 30 20 IKED C=CC[C@H](C(=O)OCc1csc(CC(=O)Nc2cc(C)ccc2C)n1)c1ccccc1 778417992 JOAGIYAVBXBWJT-NRFANRHFSA-N 434.561 5.344 30 20 IKED CC(=O)N1C/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)c2ccccc2C1 778518767 BEDMNKDEXWNXPQ-MHWRWJLKSA-N 436.851 5.137 30 20 IKED N#C[C@@H](C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1nc2ccccc2[nH]1 786926270 NMYGHXZGSHZZDJ-AWEZNQCLSA-N 440.290 5.119 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cccn2c(I)cnc12 789887902 GZXWTZBLCWCXBG-UHFFFAOYSA-N 445.304 5.043 30 20 IKED CC(=O)N(c1nc(/C=C2/CC(C)(C)c3ccc(Br)cc3C2=O)cs1)C1CC1 794968354 MIUXXKNAOGIBNN-JYRVWZFOSA-N 445.382 5.369 30 20 IKED N#CC1(CCCOC(=O)c2sc3cc(Br)ccc3c2Cl)CCOCC1 800162105 CQMRFHIMUPXOFL-UHFFFAOYSA-N 442.762 5.575 30 20 IKED COc1ccc([C@H](O)C2CCN(Cc3cccc(OCc4cccc(C#N)c4)c3)CC2)cc1 812774335 KWEXXELUGUZNOZ-NDEPHWFRSA-N 442.559 5.091 30 20 IKED Cc1ccc2sc(-c3ccc(N(C(=O)CCCC#N)C4=NCCCS4)cc3)nc2c1 812849559 OGLNQVVBLNMVQT-UHFFFAOYSA-N 434.590 5.792 30 20 IKED Cc1c(C=Nn2cnc3ccc(Br)cc3c2=O)sc2c(Cl)cccc12 814787215 JHQRJIHRCSFFFP-UHFFFAOYSA-N 432.730 5.218 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(-c2ccccc2)cc1)[n+]1ccc(C(C)(C)C)cc1 839406973 QFBYHXHVWLZQFB-UHFFFAOYSA-O 443.636 6.316 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1 915087066 PUSBYAHBVVPASP-HSZRJFAPSA-N 437.524 5.908 30 20 IKED N#C[C@@H](C(=O)CCCn1c(=O)oc2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1 915102255 URBSQIRBBREZIT-INIZCTEOSA-N 437.908 5.028 30 20 IKED CC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915180587 PPBOOLHRHVNADL-HSZRJFAPSA-N 443.572 5.211 30 20 IKED CC(=O)N(c1ccccc1)c1nc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)cs1 915849045 QPUBZPOPCGQZJF-XDHOZWIPSA-N 448.573 5.336 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 916559719 GBZDIWUVJSOVLS-RCRDTURJSA-N 438.749 5.250 30 20 IKED N#C[C@H](C(=O)COc1c(Cl)cccc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 916654458 ZPVRGPRHPVKGFB-CYBMUJFWSA-N 437.735 6.026 30 20 IKED N#C[C@@H](C(=O)COc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(SC(F)F)cc1 916888597 WWYCMRSHVBOLIV-ZDUSSCGKSA-N 445.274 5.034 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 916915893 KOMQEJFRKPPJOR-QHCPKHFHSA-N 433.467 5.053 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3cccc(C)c3)n2)cc1 916949517 OSLHKWNTINQMTQ-VGOFRKELSA-N 431.561 5.522 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1 917025434 KIIGWMXKXXKHLG-IBGZPJMESA-N 429.570 5.969 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2nccc3sccc23)cs1 917544867 JRKHIBNMFPEZBJ-UHFFFAOYSA-N 427.942 5.537 30 20 IKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nnn1-c1cccc(Cl)c1 917668580 CFKGIHJABRQANQ-JOCHJYFZSA-N 427.895 5.137 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3C)n2)cc1 920139874 ZYCSONGOAOUBBN-RDTXWAMCSA-N 426.925 5.424 30 20 IKED N#CCCN(C(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc2c(c1)OCCO2 920974178 RVTMBJCCVOPPRM-UHFFFAOYSA-N 441.512 5.295 30 20 IKED CSc1nc(O)c(C(=O)Nc2cc(Cl)ccc2Oc2cccc(F)c2)cc1C#N 1525782242 WQQBORSXLUOZNJ-UHFFFAOYSA-N 429.860 5.218 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CC=CCC4)cc3)CCC2)c1 1786076062 CJHVDWXYNITOSO-WOJBJXKFSA-N 427.548 5.418 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCCCC4(F)F)cc3)CCC2)c1 1786465817 IPNXFFSRYFZWBE-NRFANRHFSA-N 437.490 5.131 30 20 IKED Cc1ccc2cc(C(=O)Nc3ccc(C4(NC(=O)[C@@H](S)C(C)C)CCC4)cc3)ccc2n1 1789030671 UUOYXQIWLHMFTM-QHCPKHFHSA-N 447.604 5.245 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)C4(c5ccc(OC)cc5)CCC4)cc3)CCC2)C1 1790481852 MRXBGMJIXVVNRK-UHFFFAOYSA-N 444.575 5.217 30 20 IKED CC1=CC[C@@H](C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)ccc4F)cc3)CCC2)CC1 1790763660 BVWKGMGLZLBQSF-LJQANCHMSA-N 431.511 5.191 30 20 IKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Oc3ccccc3)cc1)C2 1793052134 XOQBIAZZLBXXKI-BKFWDETESA-N 444.575 5.499 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cccc(Cl)c3C)C2)CC1 1805098897 AVPQSWWUTXBCCG-FQEVSTJZSA-N 429.004 5.262 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3scnc3c2)n[nH]1 1819146983 VKTHDCQVNOBETM-FQEVSTJZSA-N 449.580 5.094 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2C2CC2)n[nH]1 1823131478 OEIWEHFRWIKGRO-WMZHIEFXSA-N 432.568 5.361 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)Sc2cccs2)CC1 1828779755 UVFAYFAVNSKSQL-NLWGTHIKSA-N 434.671 5.061 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)c(O)c(C)c2)CC1 1828829787 NUEIHJRRJAAEOL-DNQXCXABSA-N 438.612 5.011 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCCCC2(F)F)CC1 1829068314 PLOVFZZETNWGOG-RTWAWAEBSA-N 438.603 5.424 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2c(C)c[nH]c2C)CC1 1829068378 SLVDHFKNZWOAEC-DEOSSOPVSA-N 441.660 5.176 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccncc2-c2ccccc2)CC1 1831375458 WWTSBIBWTFCAQZ-LVXARBLLSA-N 445.607 5.194 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccccc2CC)c1 10174525 KNJONTBNXUPKJD-UHFFFAOYSA-O 430.018 5.865 30 20 IKED CCn1c(S[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1cccc(Cl)c1 16996853 BTJVUIJQXVRTGT-LBPRGKRZSA-N 446.363 5.263 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2)[n+]2ccc(C(C)(C)C)cc2)s1 22730525 YDHRSBHEYGUCSP-UHFFFAOYSA-O 427.590 5.832 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc3c(c2)CCCC3)cc1 22730899 LAYUQSIMGOXTKV-UHFFFAOYSA-O 437.535 5.490 30 20 IKED C=C(C)COc1cc(CNCc2cccc(NC(=O)c3cccc(F)c3)c2)ccc1OC 60948637 UHHKLROFFKJTJK-UHFFFAOYSA-N 434.511 5.331 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1CN(C)C1CCCCC1 63389197 YOYHIMHIPYQEDV-UHFFFAOYSA-N 436.556 5.579 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 63390342 DCECRVCCANMIAY-UHFFFAOYSA-N 445.479 5.459 30 20 IKED CCN(C(=O)c1cnn(-c2ccc(Br)cc2)c1C)[C@H](C)c1ccc(C#N)cc1 105905910 XMLSSOYHXDWGBU-OAHLLOKOSA-N 437.341 5.038 30 20 IKED Cc1ccccc1-c1cc(C(=O)Nc2cccc(OCC#N)c2)c2cnn(C(C)C)c2n1 107964722 MGXWJHUSTZAKRV-UHFFFAOYSA-N 425.492 5.142 30 20 IKED Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cnn1-c1ccccc1F 108377229 PAJKWWWYTFONTB-UHFFFAOYSA-N 440.478 5.217 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 195662695 IMXHPPOFKIZRSK-QGZVFWFLSA-N 434.521 5.190 30 20 IKED N#Cc1cc([N+](=O)[O-])ccc1Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 301061965 BJJCLVDHLCUTRR-UHFFFAOYSA-N 437.868 5.171 30 20 IKED C[C@H](Nc1cccc(NC(=O)C2CCCCC2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 426211079 RKHITEUNDNTQFR-SFHVURJKSA-N 436.531 5.092 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CCOCC2)cc1 427744011 UECXFUPTCGGOGM-UHFFFAOYSA-N 444.506 5.098 30 20 IKED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)nc12 429578560 NTGUNKMCJQCICL-KRWDZBQOSA-N 427.851 5.074 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)N4CCC[C@H]4[C@H](C#N)c4ccccc4)cc3)o2)c1 436347861 UHRDRJCJUCDZCW-RPBOFIJWSA-N 448.526 5.624 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(CCc2ccccn2)Cc2ccncc2)cc1 438090578 VFDJQXHBACFBHZ-UHFFFAOYSA-N 448.526 5.334 30 20 IKED N#CC1CCC(CNC(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)CC1 441139703 PIWMPUQYNJORGB-UHFFFAOYSA-N 445.350 5.697 30 20 IKED N#Cc1ccc(/C=C/c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)no2)cc1 445805380 JXEPSXVSKBJMOP-VMPITWQZSA-N 440.303 5.134 30 20 IKED Cn1cc([C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C(F)(F)F)cn1 446134231 CXBXSIAEVRLWRW-MJGOQNOKSA-N 447.848 5.154 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1 448378547 ZOGNTHKDOADCLJ-YADARESESA-N 427.573 6.270 30 20 IKED C=C(C)Cn1c(CCCc2cccs2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 460589303 ZYXVERPYQKTGKV-PBYQXAPXSA-N 442.654 5.026 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3CCO[C@@H](c4ccccc4)C3)c2)cc1 462252560 BROISPJWGOAZCP-AZGAKELHSA-N 441.531 5.373 30 20 IKED N#CCCCOc1cccc(N[C@H](c2cccc(Br)c2)C2CCOCC2)c1 467399067 COIRNYIJORBPCC-QFIPXVFZSA-N 429.358 5.711 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(c3ccc(F)cc3)c3ccc(F)cc3)ccc21 469342003 GYICCHBKVSMOHQ-UHFFFAOYSA-N 431.486 5.749 30 20 IKED CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 470623960 WNFYAGLQJUTNOS-ZDUSSCGKSA-N 430.364 5.298 30 20 IKED Cc1nc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)sc1Cc1cccc(Cl)c1F 471157526 SEYDWGWAAFUFSV-QGZVFWFLSA-N 438.915 5.027 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cc(-c2ccccc2)ccc1Cl 471449129 ATUQJKAQUXFNPT-UHFFFAOYSA-N 429.911 5.110 30 20 IKED Cc1ccc(-c2noc([C@@H](C)NC(=O)Nc3ccccc3S[C@@H](C)CC#N)n2)cc1F 473824228 UWLFSUUUXUCNSF-LSDHHAIUSA-N 439.516 5.461 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 475587839 WJZIQIDZLKHDNO-AZGAKELHSA-N 431.624 6.057 30 20 IKED C=C(C)[C@H](NC(=O)CSc1nnc(-c2cccc(C)c2)n1CC)c1ccc(F)c(F)c1 475680753 JYDFSFGISZIFQY-NRFANRHFSA-N 442.535 5.077 30 20 IKED CC(C)n1c([C@@H]2CCCN2C(=O)CCCCOc2cccc(C#N)c2)nc2ccccc21 478305408 LGAWGVQKOYFNEV-DEOSSOPVSA-N 430.552 5.402 30 20 IKED COc1cc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c(OC)c(C)c1OC 478603461 RPSHCOTXXVNJQT-UHFFFAOYSA-N 432.476 5.246 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1ccc(OCC(F)(F)F)cc1 478858640 QVRSBFSZHAENCS-UHFFFAOYSA-N 427.272 5.083 30 20 IKED CC[C@@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)c2cccs2)cc1 481508590 WKRFRHBMHHTOIZ-IVZQSRNASA-N 435.524 5.117 30 20 IKED C=CCN(C(=O)C[C@H](C)c1ccccc1OC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 482236936 AXJHMZKTSJHURB-INIZCTEOSA-N 437.521 5.440 30 20 IKED Cc1c([C@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C(C)C)oc2ccccc12 483220998 DLXYJCCITNWTHA-OPAMFIHVSA-N 449.576 5.588 30 20 IKED C[C@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)C[C@@H](CC#N)c1ccccc1 483772454 GLXHHBGSJLELGT-XUZZJYLKSA-N 437.543 5.433 30 20 IKED C=CCN(CCOC)C(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCCCC1 484509771 UBXRNZOOBPPQLC-UHFFFAOYSA-N 441.597 5.016 30 20 IKED C[C@@H](C#N)CSc1ccccc1NCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 484758895 WRPXXLQWGNNTTP-NSHDSACASA-N 428.772 5.949 30 20 IKED COc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c(F)c1 487421764 UYXMSLSIOZRILB-UHFFFAOYSA-N 435.402 5.024 30 20 IKED CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CSc1nc(C(F)(F)F)ccc1C#N 488772499 XOPAQEIALMFIPK-UHFFFAOYSA-N 434.270 5.030 30 20 IKED C=C(C)Cn1c(S[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)nnc1-c1ccncc1 489444134 DQBSSSZOTZDBQP-HNNXBMFYSA-N 436.516 5.267 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccc(N(CC)c2ccccc2)cc1 498407010 FBSFQUSQKKTDSR-UHFFFAOYSA-N 433.552 5.218 30 20 IKED N#Cc1c(NC(=O)c2oc3ccccc3c2CSc2ncccn2)sc2c1CCC2 499326768 GCTFJVUMDJGBBD-UHFFFAOYSA-N 432.530 5.189 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Nc2cccc(OC(F)F)c2)cc1 502480458 XTNUAWGAZCBEOE-UHFFFAOYSA-N 425.391 5.605 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc(C)c1OCc1cccnc1 503576362 OTLPYFUIBRKYCB-IBGZPJMESA-N 425.410 5.181 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1nc(C)c(SCC#N)s1 504816604 DKMIWILGIGURRM-UHFFFAOYSA-N 446.554 5.081 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)c1 510057192 RABADFZFOXUTLD-OFVILXPXSA-N 426.516 5.035 30 20 IKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H]1CCCN(C2CCC2)C1 511246695 DJFJBSNHVXZRDH-RBBKRZOGSA-N 446.595 5.106 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1cccc(C(F)(F)F)c1 513180908 KAQUQSABSTVAQY-HNNXBMFYSA-N 438.331 5.103 30 20 IKED CC(=O)Nc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1C 513938330 QWDDVMNAHAQSDG-UHFFFAOYSA-N 430.483 5.199 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccn(-c4cccc(Cl)c4)n3)n2)cc1 516269969 HJFRNJOWBZKRSF-GOSISDBHSA-N 429.892 5.011 30 20 IKED Cc1ccccc1-c1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)c2cnn(C(C)C)c2n1 516710644 LSYRZLDLDLMBJC-IBGZPJMESA-N 435.487 5.619 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(OCc2ccccn2)cc1 519451191 STMZJMCKLHURLG-SFHVURJKSA-N 432.549 5.234 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1 519485379 XDULKXFCCLKGDA-KRWDZBQOSA-N 430.360 5.657 30 20 IKED N#Cc1ccccc1CSCCNCc1cccc(NC(=O)c2ccccc2Cl)c1 520954763 KJGCNSUWNPVORJ-UHFFFAOYSA-N 435.980 5.487 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 521258958 GWULGDFKRCXNFP-JXFKEZNVSA-N 447.526 6.716 30 20 IKED N#CCCCn1cc(-c2nc([C@@H](F)c3ccc(C(F)(F)F)cc3)no2)c2ccccc21 521685740 KPAADAOMDMKTCV-IBGZPJMESA-N 428.389 6.073 30 20 IKED COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1ccccc1SC[C@H](C)C#N 521734602 RURNUCWYDWOWPY-OAHLLOKOSA-N 425.941 5.643 30 20 IKED CCn1cnnc1-c1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 523882980 BCJXRZXSJLNFLA-UHFFFAOYSA-N 443.894 5.535 30 20 IKED CC(C)c1oc([C@@H]2CCCN2S(=O)(=O)c2ccc(C#N)cc2F)nc1-c1ccccc1 531092596 VMMVTRGJHJQXOT-IBGZPJMESA-N 439.512 5.002 30 20 IKED N#CC1(NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)CCSCC1 533746832 BYYZRVMGBRGFRR-UHFFFAOYSA-N 437.996 5.181 30 20 IKED N#C[C@@H](NC(=O)c1cc(Br)cc2cccnc12)c1cccc(C(F)(F)F)c1 536186236 ZMWWTEGRABCULY-MRXNPFEDSA-N 434.215 5.011 30 20 IKED COc1ccc(-n2nc(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cc2C)cc1 538922381 SHHWSHYGDCZFRJ-FQEVSTJZSA-N 428.517 5.111 30 20 IKED CCC[C@H](NC(=O)c1ccccc1)c1noc(-c2ccc(COc3ccccc3C#N)o2)n1 545783393 OCXGPMTUBAPDDD-FQEVSTJZSA-N 442.475 5.051 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(C(=O)Nc4ccccc4)c3)n2)cc1 552062817 HJGVBWGRZKWVDF-JOCHJYFZSA-N 448.507 5.424 30 20 IKED Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N1CCC(C#N)(c2ccccn2)CC1 554542017 CLGFZEAINPDFFB-UHFFFAOYSA-N 441.318 5.049 30 20 IKED N#Cc1ccc(Br)c(CNC2(c3cccc(C(F)(F)F)c3)CCOCC2)c1 562496854 SBAHDVIJQPVIOP-UHFFFAOYSA-N 439.275 5.135 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@@H](c3c[nH]c4ccccc34)C(F)(F)F)cc2)nc1 569371161 NOTSPVXNUIPTNJ-NRFANRHFSA-N 436.393 5.260 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 576538851 XPKZACAZQYUTRO-XLIONFOSSA-N 448.567 5.175 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC(c2c(Cl)cccc2Cl)CC1 584806381 UFJGEDUGNROCND-UHFFFAOYSA-N 433.383 5.059 30 20 IKED Cc1nc(-c2ccc(NC(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)cc2)oc1C 586786774 NBQUCLAZLUKBJQ-UHFFFAOYSA-N 434.471 5.045 30 20 IKED Cc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1OCC(F)F 588717118 QCBJJOYHEMROOM-PHIMTYICSA-N 434.327 5.234 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 589741664 OLPKMVAVLVBZEN-SFHVURJKSA-N 436.487 5.242 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(OC(F)(F)F)cc2)cc1 604004019 VQYOXEAJSASTHQ-UHFFFAOYSA-N 426.394 5.483 30 20 IKED O=C(Nc1ccc(F)cc1OC(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 608330866 RHYYTVNUBKPXBN-MBTKJCJQSA-N 438.290 5.458 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 609031570 IMUDNZMAAHLTFR-CVEARBPZSA-N 427.253 5.560 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3cccc(OCc4cccc(Cl)c4)c3)CC2)c1 609185555 CULFEXWUQQVXOY-UHFFFAOYSA-N 446.934 5.474 30 20 IKED CN(C)c1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c(C(F)(F)F)c1 609297836 JUIRXJNYSWMVHJ-UHFFFAOYSA-N 443.400 5.827 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(COCc2ccco2)c1 609403018 KOMOIAOBIVSFDM-SFHVURJKSA-N 435.549 5.570 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)c1 609433654 AIBLMGUGNZWGFV-QHCPKHFHSA-N 441.487 5.491 30 20 IKED C[C@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609438026 XYPPZXGISHLGST-QGZVFWFLSA-N 439.471 5.255 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 609500476 LZLUHWMMQCXECL-UHFFFAOYSA-N 447.454 5.365 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N(Cc3cccs3)C[C@@H]3CCCO3)c2)c1 609641167 DEOIMDGLUNLURK-QHCPKHFHSA-N 432.545 5.020 30 20 IKED CCCC(=O)Nc1cccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 609723681 SNEMJYPAXZZXKJ-UHFFFAOYSA-N 433.895 5.995 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)CC1 610156899 FJOVHMHNKOYJQD-ZYKFHVCXSA-N 444.453 5.067 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)cc2)nn1 610184404 XYVNVKODTCHRCK-UHFFFAOYSA-N 436.471 5.280 30 20 IKED CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)C1(C#N)CCCC1 610426475 UOAHDCMEBRPHCT-UHFFFAOYSA-N 432.955 5.294 30 20 IKED CCN(CCC1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1)CC1CC1 611302840 MOZJXEZIOOLUGB-LJQANCHMSA-N 428.646 5.447 30 20 IKED COC(=O)C(C)(C)[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 614160226 JRVJEMDLIHEWFQ-IBGZPJMESA-N 435.524 5.102 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCc1ccc(C#N)c(Cl)c1 619767999 RXZVPLDHCCIQOR-CYBMUJFWSA-N 446.359 5.458 30 20 IKED O=C(COc1ccccc1C(F)(F)F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642161244 FCNIANCLNKQBMV-UWVGGRQHSA-N 437.302 5.110 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)c1C(F)F 681122866 POFJDXGHVNKYKD-UHFFFAOYSA-N 449.370 5.457 30 20 IKED Cc1nc(NC(=O)c2ccc(-c3ccc(Br)cc3)n2C)sc1SCC#N 725719117 PGNQCIHPHJRNKF-UHFFFAOYSA-N 447.383 5.088 30 20 IKED N#Cc1cccc(COc2ccc(NC(=S)Nc3ccc(SC(F)F)cc3)cc2)c1 727980612 OJBQAQFBGCYMDZ-UHFFFAOYSA-N 441.528 6.261 30 20 IKED CC[C@H](C)Oc1ccccc1/C=C\C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 729888397 FIDYTSFTTZRJRQ-DCMZOXEDSA-N 431.319 5.531 30 20 IKED CNC(=O)c1ccc(/C=C/C(=O)c2sc(-c3ccccc3Br)nc2C)cc1 730148880 OJPFERVOTDDODX-FMIVXFBMSA-N 441.350 5.137 30 20 IKED C[C@@H](OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nnc(-c2ccccc2)o1 730375544 JRHPXZYZPNXVMY-OAHLLOKOSA-N 429.407 5.458 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1F 730473170 FNBBQATWUUKCRG-OAQYLSRUSA-N 445.494 6.080 30 20 IKED CCc1ccc(-c2nn(-c3ccccc3C)cc2C=NNc2cnnc(O)c2Cl)cc1 730568053 AYSZDPDBHQTUFK-UHFFFAOYSA-N 432.915 5.005 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2cc(F)ccc2s1 731065209 ZOYCCBWRKFZVQN-ZDUSSCGKSA-N 428.510 5.230 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 733245724 WPXAPYREQYOIOV-UHFFFAOYSA-N 426.863 5.713 30 20 IKED N#C[C@@H](NC(=O)Cc1ccc(Cl)cc1Br)c1cccc(C(F)(F)F)c1 733262334 LBNCJYSXPXQWEG-OAHLLOKOSA-N 431.639 5.045 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)c1 733800463 UAEADBLGERJHJM-QFIPXVFZSA-N 430.508 5.333 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)c1 733804270 BBIOFZSLMFJREN-ROUUACIJSA-N 429.923 5.077 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCc3sccc3[C@H]2c2cccs2)c1 734278720 YNSAHSGQNMWKMG-VGSWGCGISA-N 437.590 5.348 30 20 IKED C=CC[C@H](NC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1ccncc1 734667707 MPTLEGCXSLFGGU-SANMLTNESA-N 437.547 5.110 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1cccc(-c2ccncc2)c1 741459961 HTMGCUWKZXFHOM-UHFFFAOYSA-N 434.425 5.456 30 20 IKED N#Cc1ccc(NC(=S)N(CCSc2ccc(F)cc2)c2ccccc2)cc1Cl 741876267 ZCPLUZPZVSHQGE-UHFFFAOYSA-N 441.984 6.346 30 20 IKED Cc1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1NC(=O)OC(C)(C)C 742511096 RLTZVJWKWUEVHY-UHFFFAOYSA-N 432.442 5.142 30 20 IKED Fc1ccc(CN(CC(F)(F)F)C(=S)NCc2ccc(OC(F)(F)F)cc2)cc1 742998113 CIJDVGPRDREKEH-UHFFFAOYSA-N 440.384 5.163 30 20 IKED COc1cc(/C=C\C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2C)cc(OC)c1OC 743055952 OPOZZTQKSIKOAV-YVMONPNESA-N 447.318 5.409 30 20 IKED COc1ccc(C2=NNC(=Nc3cc(C(F)(F)F)ccc3Cl)SC2)cc1OC 749964795 VATZPDKFJSSZCS-UHFFFAOYSA-N 429.851 5.104 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2sc(-c3ccc(C)cc3C)nc2C)cc1C#N 752193289 FWMSKZVOLBZCME-UHFFFAOYSA-N 434.521 5.428 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2C)cs1 756777732 NALJAUXLEGYGQN-DHZHZOJOSA-N 441.896 5.594 30 20 IKED O=C1CSc2sc(C(=O)/C=C\c3cc(Br)ccc3OC(F)F)cc2N1 758025061 JFACOQXYIZAJJQ-IWQZZHSRSA-N 446.294 5.052 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 758783104 RLJOTZDYRBFVAX-WIYYLYMNSA-N 449.551 5.116 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 760087483 WJPDNADJQKVOIC-FZKQIMNGSA-N 438.380 5.633 30 20 IKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(Cl)c2cccnc12 760227627 YMHJEHNXMDTUNN-UHFFFAOYSA-N 429.936 5.395 30 20 IKED CCOc1ccc(C=NO[C@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)cc1OC 760422025 VDVFHUKNZNNYSE-GFCCVEGCSA-N 436.295 5.562 30 20 IKED N#CCOc1cc(F)ccc1NCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 760458858 LEBQWAHWVKIZCS-UHFFFAOYSA-N 437.085 5.392 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccc(Cl)nc2)cc1Cl 761621328 MVNJCTKMLIDTNI-IBGZPJMESA-N 425.319 5.408 30 20 IKED C[C@H](C#N)Oc1ccc(CN2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1 768344988 BBNBSFYGOJDVGL-VFNWGFHPSA-N 432.351 5.277 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 769456128 RZZCRHCQHLGPTJ-MRXNPFEDSA-N 437.565 5.441 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1cc(C(=O)OC)co1)C(=O)c1ccccc1 774113713 FAIUUCMYGWXTKO-JCMHNJIXSA-N 431.488 5.096 30 20 IKED C#CC[C@@H](NCc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1)c1ccccc1 775400021 WKTMDRBSXQQJHL-OAQYLSRUSA-N 443.494 5.701 30 20 IKED Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=NN[C@H]1CCOC(C)(C)C1 780251260 UMPJWGXCGHTTKG-ZDUSSCGKSA-N 429.779 5.081 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)C1(c2ccc(C#N)cc2)CC1 781042067 WAAPRVXZQPCMQT-QFIPXVFZSA-N 431.536 5.131 30 20 IKED Cc1nc(C(C)(C)C)sc1C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 787048677 GYFNSHWMYBKQDN-IINYFYTJSA-N 438.380 5.256 30 20 IKED Cc1nc(-c2ccccc2)oc1C(=O)[C@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 787049258 KXMJDPIXHQVPJG-PXAZEXFGSA-N 442.302 5.157 30 20 IKED CC(C)N1CC[C@H](NC(=O)Nc2ccccc2O[C@H](C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 788297092 PYEAZIMQWCPXGX-PDXHDDNESA-N 444.938 5.115 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N(Cc1cccc(Br)c1)CC1CC1 789181465 JIOZAHVBRQKOGJ-HNNXBMFYSA-N 428.330 5.184 30 20 IKED CCC[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H](O)c1ccccc1 791786544 NJRIFVBVPALTAC-UIOOFZCWSA-N 443.547 5.355 30 20 IKED N#C[C@@H](C(=O)[C@@H](Sc1ccccc1Cl)c1ccccc1)c1cnc2ccccc2n1 792110568 OLHIUZCTAUMFAB-OSPHWJPCSA-N 429.932 5.993 30 20 IKED COc1ccc(NC2CCN(c3ccc(C#N)cc3)CC2)cc1NC(=O)C1CCCCC1 796924653 HDEGHTWHZFDIJL-UHFFFAOYSA-N 432.568 5.167 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccc(Oc2ccccc2)cn1 799620940 AIPNGUXELBOMMN-UHFFFAOYSA-N 429.263 5.202 30 20 IKED COc1cc(/C=C\C(=O)c2cc(Br)cs2)cc(OC)c1OCC(F)F 809156209 FKQWUSCLXMFAFT-ARJAWSKDSA-N 433.270 5.068 30 20 IKED COc1ccc(-c2csc3ncnc(NN=C(C)[C@H](C)CCCCC(=O)O)c23)cc1 814761221 IFPIPIMPUWQGAT-CQSZACIVSA-N 426.542 5.436 30 20 IKED COC(=O)C12CCC(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)(CC1)CC2 815910799 HVAGGSRIVHNQMW-XDGVHFHYSA-N 428.941 5.153 30 20 IKED Sc1nnc(-c2ccco2)n1N=Cc1ccc(-c2cccc(Br)c2)s1 914600213 RNPJCHRLAPRFJQ-UHFFFAOYSA-N 431.340 5.200 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915085917 CVTDWGZSDPPEOH-JOCHJYFZSA-N 427.504 6.165 30 20 IKED Cc1ccc(C2=CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2)cc1 916686269 CSWRBXJMBKWYJQ-UHFFFAOYSA-N 437.543 5.961 30 20 IKED N#C[C@@H](C(=O)CSc1ncnc2scc(-c3ccccc3)c12)c1nc2ccccc2[nH]1 916844665 UJXVKUVQPWWWIF-HNNXBMFYSA-N 441.541 5.203 30 20 IKED N#C[C@H](C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1nc2ccccc2s1 916847966 ZDCCQIMAFIQTLS-LJQANCHMSA-N 446.915 5.436 30 20 IKED N#C[C@H](C(=O)CCSc1ccc(F)cc1)C(=O)Nc1ccccc1Oc1ccccc1 916906433 SZKFWQJRHDSICT-HXUWFJFHSA-N 434.492 5.448 30 20 IKED COc1cccc2cc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)oc12 916906983 GJGIEBWAPBPCPT-SFHVURJKSA-N 426.428 5.195 30 20 IKED COc1ccc(CCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1Br 917046562 HWLXHGLCEBCSOV-ZDUSSCGKSA-N 449.757 5.530 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cccc(OC(F)F)c2)cs1 917559177 FIYSMSONTDSEJB-YFHOEESVSA-N 448.878 5.979 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)cc1 919962881 PDAHVQNSCOFTLV-UHFFFAOYSA-N 446.528 5.201 30 20 IKED Cc1csc(SCc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cc2)n1 920265807 UHENBXGARJNIAR-SFHVURJKSA-N 448.598 5.752 30 20 IKED C[C@@H](Sc1ccccc1Cl)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806398 KQHBKURVCQSRBJ-NEPJUHHUSA-N 434.920 6.099 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3ncccc3-c3ccccc3)cc2)CCC1 1788800752 MYZDNIKKZJFVJZ-UHFFFAOYSA-N 438.531 5.046 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)Cc3cnc(C)s3)CCC2)cc1 1789625740 VSJBYRALDRAVSX-UHFFFAOYSA-N 425.598 5.121 30 20 IKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@@]4(F)CCCC=C4F)CCC3)cc2)c1 1790795513 LJALMBZWMGESLB-AREMUKBSSA-N 449.501 5.360 30 20 IKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)[nH]n1 1822584645 ZICWSGDSUVZEKK-FRFYRWIFSA-N 444.535 5.055 30 20 IKED C[C@@H](Sc1ccc2c(c1)OCCCO2)C(=O)Nc1sc2c(c1C#N)CCCCC2 9583852 BNOJJRVSBBMYQX-CQSZACIVSA-N 428.579 5.169 30 20 IKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)cc1 10014960 FMNJPBGYSRDMIW-UHFFFAOYSA-N 449.580 5.391 30 20 IKED Cc1cccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(N(C)C)cc2)c1C 10168099 AQTHAUYLYVACLJ-UHFFFAOYSA-O 446.640 5.831 30 20 IKED CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)c1 12260853 JAQXUBIHYZDRDX-UHFFFAOYSA-N 445.972 5.263 30 20 IKED C=CCn1c(C)nnc1S[C@H](C)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 21140599 AANIFQPFPRVLFF-OAHLLOKOSA-N 446.523 5.145 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)c2cccc3ccccc23)nnc1-c1ccoc1C 27129271 VKODRQZALJXDNQ-MRXNPFEDSA-N 432.549 5.155 30 20 IKED C=CCn1c(S[C@@H]2CCCCC2=O)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 28610619 WDVUHNGIFVZSHN-QGZVFWFLSA-N 428.554 5.362 30 20 IKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2ccccc2)cc1 28776762 OHBWYETVLVZFCX-UHFFFAOYSA-O 434.541 5.231 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(C(=O)Nc2ccccc2)cc1 32786206 AIOISYBKVDGCEW-UHFFFAOYSA-N 440.572 5.600 30 20 IKED Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)[nH]c2c1 61786079 ILWOADHQTGDSJX-DEOSSOPVSA-N 437.503 5.904 30 20 IKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)C1(C#N)CCCCC1 65079989 PFQZUFAMBHQDBU-UHFFFAOYSA-N 429.442 5.679 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C 303240969 BJQIWLZDCFTMSG-INIZCTEOSA-N 427.520 5.856 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(COc2ccc3ccccc3c2)o1 303286369 AFBSVQYJBDMWIA-GOSISDBHSA-N 442.540 6.658 30 20 IKED CC[C@H](CC#N)c1cccc(-c2cnc3[nH]c(-c4cnn(C5CCN(C)CC5)c4)ncc2-3)c1 328578681 SGCNKNGXKNUYQP-GOSISDBHSA-N 439.567 5.114 30 20 IKED CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 427345218 NBYCHMNSDXPUTR-UHFFFAOYSA-N 445.544 5.062 30 20 IKED C[C@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H]1OCCc2sccc21 431835604 PEYYXXLZNYMDBP-BXKMTCNYSA-N 432.545 5.282 30 20 IKED N#CCCn1cc(CNCc2ccc(-c3nc4ccccc4s3)o2)c(-c2ccncc2)n1 433310582 IGWKQFAPFZDKAE-UHFFFAOYSA-N 440.532 5.018 30 20 IKED O=C(Nc1ccc(CCC(F)(F)F)cc1)c1nnn(-c2ccccc2F)c1C(F)(F)F 439642596 DSDFJYORGJNXKV-UHFFFAOYSA-N 446.326 5.172 30 20 IKED CCCc1c(NC(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)cnn1-c1cccc(C#N)c1 439692353 PDJDLRNZSJVJEA-IAGOWNOFSA-N 433.478 5.187 30 20 IKED CCCc1c(NC(=O)c2sc(C)nc2-c2ccccc2)cnn1-c1cccc(C#N)c1 440088253 NPXIJSJDGFBVRT-UHFFFAOYSA-N 427.533 5.381 30 20 IKED C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)C(=O)Nc1ccccc1SCCC#N 442523112 YIMDEXNANPNJSY-LJQANCHMSA-N 443.572 5.517 30 20 IKED C[C@H](NC(=O)CN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 444742057 IDNWEQHTJZMMSB-YVEFUNNKSA-N 436.371 5.305 30 20 IKED C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446633078 WTERSLUKWBZWDK-RWBZWWBESA-N 447.366 5.353 30 20 IKED C=CCOc1ccc(CNCc2noc(-c3cccc(Br)c3)n2)cc1Cl 448276317 QPHZLJBIBWSJKR-UHFFFAOYSA-N 434.721 5.007 30 20 IKED COc1ccccc1[C@@H](C)SCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 463215261 TUKDLRJLSYHLMI-LJQANCHMSA-N 433.577 5.466 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1nc(O)c2c(-c3ccccc3)csc2n1 464818215 KTAJLQUQKRCVGN-PZJWPPBQSA-N 426.545 5.336 30 20 IKED CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 465281949 BUDIEPIYLCTLEG-UHFFFAOYSA-N 442.515 5.274 30 20 IKED O=C(c1ccc(-c2cc(F)c(F)c(F)c2)cc1)N(CCC(F)(F)F)CC(F)(F)F 468546610 DZJZVSQKIXUCGB-UHFFFAOYSA-N 429.282 5.728 30 20 IKED COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 470501558 YNRWLHPFBKLIJC-NBHGPNQESA-N 427.932 5.057 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@H]3CCCC[C@H]3c3ccccc3)ccc21 470538879 SWLQISHIRTUONB-GOTSBHOMSA-N 430.552 5.117 30 20 IKED Cc1nc2cc(C(=O)Nc3cccc(OCCCC#N)c3)ccc2n1Cc1ccsc1 472793831 SKIAKRQWUDIBDJ-UHFFFAOYSA-N 430.533 5.389 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCc1cccc(-c2ccccc2)c1 473356061 LDZFPBCQZZZQJS-LJQANCHMSA-N 443.572 5.045 30 20 IKED CCc1c(NC(=O)c2ccc(C(C)(C)C#N)cc2)cnn1-c1ccc(C(F)(F)F)cc1 477011087 LDIYWIMBUTVTGY-UHFFFAOYSA-N 426.442 5.507 30 20 IKED CN(Cc1cc(F)c(F)c(F)c1)C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 482406328 QLXMGFGWJGNFRW-HNNXBMFYSA-N 442.306 5.150 30 20 IKED N#C[C@H](C(=O)c1cccnc1Oc1ccc(Cl)cc1Cl)c1cnc2ccccc2n1 483237138 ARVSKMWKRUQCQY-HNNXBMFYSA-N 435.270 5.614 30 20 IKED Cc1ccc(-n2ncc(NC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)c2C(C)C)cc1 484833207 USMFAHPZQMRYCM-UHFFFAOYSA-N 443.551 5.251 30 20 IKED Cc1ccccc1COc1cccc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)c1 485241607 ACCOHNTYWXUMPO-UHFFFAOYSA-N 440.547 5.190 30 20 IKED CCOc1ccc([C@@H](CNC(=O)c2ccc(C#N)s2)c2c[nH]c3ccccc23)cc1OC 486856644 JIAPFTSDYSNLGJ-LJQANCHMSA-N 445.544 5.070 30 20 IKED C=CC[C@H](C(=O)Nc1ccc(Oc2ccccc2S(=O)(=O)CC)cc1)c1ccccc1 489728464 KSFHRCDCMGRERO-QFIPXVFZSA-N 435.545 5.571 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)Nc1ccc(C#N)c(C#N)c1 489955028 HEYHYQLVFHNFFJ-UHFFFAOYSA-N 441.516 5.021 30 20 IKED C[C@@H]1[C@@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCN1Cc1ccccc1 494028526 RNIYESFNZCHBPT-NLFFAJNJSA-N 441.600 5.243 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2cccc(OC(C)C)c2)cc1C 498381425 BQOZWMNSOSZRAA-HXUWFJFHSA-N 430.552 5.359 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 498900260 YAXKVEFSAUOJEV-INIZCTEOSA-N 442.951 5.016 30 20 IKED N#C[C@@H](NC(=O)c1csc(-c2ccccc2Cl)n1)c1ccc(Br)cc1 499386538 YVCPJEBCYQVXIU-OAHLLOKOSA-N 432.730 5.221 30 20 IKED COc1cc([C@H](C#N)NC(=O)c2ccc(Sc3ccccc3C)cc2)cc(OC)c1OC 505553221 JSKWRNIUWGQRCS-FQEVSTJZSA-N 448.544 5.167 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)c1 506482921 VPMVOEMSLYUGKY-JOCHJYFZSA-N 429.882 5.677 30 20 IKED C=CCn1c(CSc2ccccc2OC)nnc1N1CC[C@H](c2c(F)cccc2F)C1 508798565 UWEJQMNTYOCPAU-INIZCTEOSA-N 442.535 5.037 30 20 IKED C=CCOc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)c1 509094588 BMYJSCLMYZPKHK-INIZCTEOSA-N 433.335 5.049 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H]3c3ccc(Cl)cc3)c2)cc1 509915455 XESRAURWDPMIMK-RUZDIDTESA-N 445.950 6.354 30 20 IKED C[C@H](c1ccccc1Cl)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511372333 ICBAURWGYOPMNF-GOSISDBHSA-N 433.939 6.210 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)[C@@H]1CCCN(C2CCC2)C1 512769576 WRQOHZKGEBRAPF-NZQKXSOJSA-N 446.595 5.220 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(COc2ccccc2C#N)c1 513265998 FVVBCNCUIHYCSP-GOSISDBHSA-N 427.529 5.784 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H](CC1CCCCC1)c1ccccc1 518158258 DVOFETGKLPWLQM-QFIPXVFZSA-N 435.593 5.459 30 20 IKED N#C[C@@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 518321042 AXTRGIKYTPPWMO-HXUWFJFHSA-N 439.302 5.632 30 20 IKED CCc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1Cc1ccccc1 520428937 BUTQNNNHTUONBM-INIZCTEOSA-N 448.498 5.386 30 20 IKED N#C[C@@H](NC(=O)c1cc(Br)cs1)c1ccc(OCc2ccccc2)cc1 520536519 JRBQFWWVBKNETO-GOSISDBHSA-N 427.323 5.084 30 20 IKED CCOc1ccc([C@@H](NC(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccccc2)cc1 520855445 NKXFVJFMBREOFI-CLOONOSVSA-N 445.588 6.248 30 20 IKED C=CCOc1ccc(CN[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1OC 521828653 OFXQYCQHHZLZMH-HSZRJFAPSA-N 431.511 5.280 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ncc(Cc3ccccc3F)s2)c1 523276930 JAKZPDIRILORFF-UHFFFAOYSA-N 433.464 5.169 30 20 IKED C[C@H](c1ccccc1)N1CCC(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 523903195 AIVSBGNFDQCPCJ-HXUWFJFHSA-N 440.547 5.698 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(C(C)=O)c(C)c2)nnc1-c1ccc(Cl)cc1 535480945 YTJVBPPVLUUPIY-UHFFFAOYSA-N 440.956 5.026 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc4nc(-c5ccccn5)oc4c3)o2)cc1 537455903 LXHXBGUMAZMOOE-UHFFFAOYSA-N 436.427 5.186 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2[C@@H](CC)CC[C@H]2C)c1 538993616 YPYYXMZVOIKOTR-MJGOQNOKSA-N 447.000 5.124 30 20 IKED COc1cc([C@H](C)N[C@@H](C)C(=O)N(CCC#N)c2ccccc2)ccc1OC1CCCC1 539256853 JCBABQAMBPGTAS-PMACEKPBSA-N 435.568 5.003 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1 539447449 ZWNDGODBHMSCIG-FYYLOGMGSA-N 435.430 5.280 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(-c2ccc(F)cc2)cc1 539867194 MVOSBGVVMVFEBU-KRWDZBQOSA-N 429.495 5.110 30 20 IKED Fc1cccc([C@@H](NCc2coc(-c3ccc(C(F)(F)F)cc3)n2)C(F)(F)F)c1F 541332920 WWFAOVRURIRZNP-MRXNPFEDSA-N 436.302 6.032 30 20 IKED COc1ccc2oc([C@@H](C)NCC(=O)Nc3ccccc3S[C@@H](C)CC#N)c(C)c2c1 541651488 KYMGVBFJKPKNHE-DOTOQJQBSA-N 437.565 5.433 30 20 IKED C[C@H]1Sc2ccc(C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc2NC1=O 541998584 BLPLAQCIPWVPFL-HZPDHXFCSA-N 427.529 5.149 30 20 IKED Cc1cn(-c2ncccc2F)nc1NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542961343 KGHLMOREEKZFFF-KRWDZBQOSA-N 440.482 5.136 30 20 IKED Cc1cn(C2CCCCC2)nc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 543354164 BSTBTQPIODDFNX-UHFFFAOYSA-N 430.577 6.113 30 20 IKED COc1cccc([C@H]2C[C@H](C)CN2C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1 544259747 PJQSRZGEJCVZAB-YCRPNKLZSA-N 435.915 5.021 30 20 IKED N#Cc1ccccc1COc1ccc(-c2nc(-c3ccccc3NC(=O)C3CC3)no2)cc1 546995777 NTUBPTSWALFYLD-UHFFFAOYSA-N 436.471 5.203 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@H](CC(F)(F)F)c3ccc(F)cc3)cc2)ccn1 555005422 PORAWLFZJBHCGZ-HXUWFJFHSA-N 444.388 5.700 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 557719019 VGJPATKIGBRIEZ-INIZCTEOSA-N 434.521 5.248 30 20 IKED C=CCOc1ccc(CN[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1OC 559554860 SYQFTUTZNARZGE-GOSISDBHSA-N 434.511 5.502 30 20 IKED Cc1sc(C2(NC(=O)C[C@@H](CC#N)c3ccccc3)CCC2)nc1-c1ccccc1F 566524644 BIGZGKCSBCNDGX-LJQANCHMSA-N 433.552 5.841 30 20 IKED Cc1c(C(=O)Nc2ccccc2CN(C)C(=O)c2cccs2)sc2ccc(C#N)cc12 569597595 WDPVIAZZLFIBAJ-UHFFFAOYSA-N 445.569 5.667 30 20 IKED N#Cc1cnn(-c2ccc(C(=O)Nc3ccc(Cl)cc3-c3ccccc3Cl)cc2)c1N 572349155 GJSMMTULZXZFML-UHFFFAOYSA-N 448.313 5.552 30 20 IKED CC(C)c1nc(C2CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)no1 576249452 HWNJWJNISHRJBP-UHFFFAOYSA-N 446.576 5.377 30 20 IKED Cc1ccc(-n2ncc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c2C(F)(F)F)cc1 592975716 LWFNNZDRRDZXJX-CQSZACIVSA-N 444.413 5.438 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2 603451840 AFDFVPUBDAEGSS-HNNXBMFYSA-N 442.544 5.448 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C3(c4ccc(Br)cc4)CC3)cn2)c1 603623883 OTMJVJZFPGMGHZ-UHFFFAOYSA-N 434.293 5.178 30 20 IKED CCN(C(=O)CCCC(=O)N(CC)[C@H](C)c1ccc(C#N)cc1)[C@@H](C)c1ccc(C#N)cc1 603737419 GUUUXDDUYCLGJY-OYRHEFFESA-N 444.579 5.119 30 20 IKED C[S@@](=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 603838329 GPAGXSXNGZUQCP-KUNJGFBQSA-N 435.357 5.344 30 20 IKED N#CCCCOc1cccc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)c1 603972340 QXDQPZLWNOXKIZ-UHFFFAOYSA-N 444.516 5.303 30 20 IKED C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604003520 LLPWKBSATQXDEL-LJQANCHMSA-N 426.516 5.226 30 20 IKED Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)CC3 604365087 BIAZFDQYPNPSLD-UHFFFAOYSA-N 436.515 6.039 30 20 IKED Cc1nccc(-c2cccc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)c2)n1 604450570 BBHAHYJUWLCZPV-UHFFFAOYSA-N 436.519 5.098 30 20 IKED COc1ccccc1-c1nc(C(=O)N(Cc2ccccc2)c2ccccc2C#N)cs1 604502919 PYKHDFMHPOFFDK-UHFFFAOYSA-N 425.513 5.537 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 606781266 ZZPMVGQFMRKYCO-UHFFFAOYSA-N 434.458 5.816 30 20 IKED CCCCn1c(SC[C@H](C#N)CCC#N)nc2scc(-c3ccc(F)cc3)c2c1=O 608862867 MBEUTHCXJZFWGW-HNNXBMFYSA-N 440.569 5.600 30 20 IKED CCN(CC)[C@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccco1 609078636 DQPZSLKBXRWFBM-XMMPIXPASA-N 446.551 5.243 30 20 IKED Cc1c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)nnn1-c1ccc(OC(C)C)cc1 609427805 NBUSWBBKJRTLDF-INIZCTEOSA-N 435.553 5.010 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCc4[nH]c5ccc(Cl)cc5c4C3)cc2)c1 609437128 QZKHZQKIISIUIF-UHFFFAOYSA-N 442.906 6.075 30 20 IKED N#Cc1ccc(SCC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c(F)c1 610219705 IFGIORKPQLKJQH-FQEVSTJZSA-N 429.520 5.219 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1 610598234 YOQKITJACWRXJN-HUUCEWRRSA-N 446.322 5.302 30 20 IKED N#C[C@@H](NC(=O)c1ccccc1SCc1ccco1)c1ccc(OC(F)(F)F)cc1 611250853 CNGGFFZOOCYRNL-GOSISDBHSA-N 432.423 5.465 30 20 IKED CC(C)n1ncc(C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)c1-c1ccccc1 617141991 ILNBUUOJAMBDSR-IBGZPJMESA-N 428.414 5.024 30 20 IKED C[C@H]1C[C@@H](C)CN(c2nnc(S[C@H](C#N)c3ccc(Cl)cc3)n2Cc2ccco2)C1 619863566 ANBFKOIPTYLWIA-GQIGUUNPSA-N 441.988 5.412 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](CC)c2ccccc2)nnc1-c1ccc(Cl)cc1 642032069 SUBSLENTAJWKML-IBGZPJMESA-N 426.973 5.144 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)nnc1-c1ccccc1 662023788 BTGPAERFUUDAQN-MOPGFXCFSA-N 442.588 5.642 30 20 IKED C=CCN(C(=O)c1coc(C2CC2)n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 681591314 KWRAMADYXCWESL-UHFFFAOYSA-N 427.529 6.175 30 20 IKED CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 682425807 ZOQHCKCGRFXYJF-BETUJISGSA-N 435.330 5.473 30 20 IKED C[C@]1(c2ccc(F)cc2)CCN(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C1 684655854 VDJZODWQRRTXQH-LBTNJELSSA-N 440.403 5.408 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3nc(COc4ccccc4)cs3)o2)cc1 727983880 IFIPVRNGYCFCHX-UHFFFAOYSA-N 431.473 5.018 30 20 IKED Cc1ccc(Cl)c(N2C(=O)/C(=C\c3ccc(OCC#N)cc3)SC2=S)c1Cl 728610784 MRJDQUKCDSGLPQ-XNTDXEJSSA-N 435.357 5.610 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C1CC1 728913760 HHVGVLHOZUELDJ-RDTXWAMCSA-N 443.494 5.717 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12)c1nc(-c2c(F)cccc2F)cs1 730923320 GNESTDFZICJJCN-GUDVDZBRSA-N 430.479 6.221 30 20 IKED CN(Cc1cccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)c1)Cc1cscn1 731950300 PJSWAYQYVAWPMJ-UHFFFAOYSA-N 427.986 5.109 30 20 IKED C[C@H](NC(=O)c1ccccc1NC(=O)CCCCOc1cccc(C#N)c1)c1ccccc1 731958453 PPDQXJMZMSHVEW-FQEVSTJZSA-N 441.531 5.237 30 20 IKED N#C[C@H]1C(CN(Cc2ccccc2F)c2ccc(F)cc2)=CC(=O)n2c1nc1ccccc12 732205597 SYFJBLKPKOVPCR-NRFANRHFSA-N 440.453 5.209 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)O[C@@H](c3ccncc3)c3ccc(F)cc3)cc2)nc1 732499624 CWLRDFJWBLVRDX-XMMPIXPASA-N 425.419 5.226 30 20 IKED O=C(/C=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(-c2ccc(C(=O)O)o2)cc1 733083760 QEMVZVXJCPWXCK-HJWRWDBZSA-N 446.440 5.573 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)c1 733844401 LTULGCOJYLFKAL-IBGZPJMESA-N 426.948 5.333 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC=C(c3c(C)[nH]c4ccccc34)CC2)c1 733852094 RXCHYWZVBXRYEB-OAQYLSRUSA-N 428.536 5.156 30 20 IKED CN1C(=O)C[C@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)[C@@H]1c1cccc(Cl)c1 734392017 NTSQSBNXAFCGGB-LSQMVHIFSA-N 443.934 5.154 30 20 IKED CC(=NN=c1cc(C(F)(F)F)[nH]c(-c2ccncc2)n1)c1ccc(Cl)c(Cl)c1 735978993 SHAAGMHVZDUMGL-UHFFFAOYSA-N 426.229 5.122 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c2)s1 740435986 ZAUCZNOYUHCGOD-VWLOTQADSA-N 448.551 6.264 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NC[C@@H](O)c3c(Cl)cccc3Cl)c2)cc1 740941160 NQMHGPBFFFFTPJ-HXUWFJFHSA-N 427.287 5.121 30 20 IKED CC(C)(C)c1ncc(/C=C\C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)s1 742564566 VQUIYDGAGTTZBT-SEYXRHQNSA-N 431.561 5.738 30 20 IKED Cc1ccc(-c2csc3ncnc(SCC(=O)NCc4cc(C#N)ccc4F)c23)cc1 742733002 OAJLURGQWXBMTE-UHFFFAOYSA-N 448.548 5.086 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1ccc(N(C)Cc2ccccc2)cc1 743473456 XQIUVTCYVNFVFW-OAQYLSRUSA-N 442.563 5.079 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@@H](Cc3ccccc3)c3ccccc3)n2)cc1 744063206 ZCOLRVAJKSYHBB-RPBOFIJWSA-N 447.563 6.275 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@H]3C[C@H](O)c3ccc(F)cc3)c2)cc1 746248746 FWDUFHLKALSJHT-AHWVRZQESA-N 444.506 5.005 30 20 IKED CC(=NNc1nc(C)nc2sc3c(c12)CCCC3)c1sc(-c2cccnc2)nc1C 747607480 MDGVEQQIHJFPLA-UHFFFAOYSA-N 434.594 5.542 30 20 IKED CCn1nc(C)c(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1C 750913819 QLDMTOWPJCVJDP-DHZHZOJOSA-N 442.346 5.975 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCCCC[C@H]3C[C@H](O)c3ccccc3)cc2)nc1 752115018 XHDCNUPUFDUVJT-ZCYQVOJMSA-N 441.531 5.254 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(Cl)ccc(Cl)c1Cl 753352428 CSHPBMWGQQDXEG-UHFFFAOYSA-N 432.694 6.267 30 20 IKED CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1 758207854 CLMJJLPEOSMANU-HSZRJFAPSA-N 449.551 5.615 30 20 IKED COc1ccc(C[C@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 759204789 DQGFTSPOOBWSTR-PGRDOPGGSA-N 428.488 5.014 30 20 IKED N#C[C@@H](C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1nc2cc(C(F)(F)F)ccc2s1 759221857 PJAQWELKJFOTQD-AWEZNQCLSA-N 444.394 5.124 30 20 IKED CCN(C(=O)Cc1ccc(OCC#N)cc1)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 760114621 OQRAUKDSJPHDKG-FQEVSTJZSA-N 428.532 5.417 30 20 IKED Cc1nn(C)c(C)c1[C@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(F)(F)F 760761016 BGTRAHPPULUKOT-FQEVSTJZSA-N 429.398 5.161 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 763264748 GGLRNWXYCZRTEU-MRXNPFEDSA-N 439.560 5.022 30 20 IKED CCc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccc([C@H](C#N)c3ccccc3)cc1)CCC2 764053049 OAQAHXMTBFFLCJ-IFMALSPDSA-N 430.577 5.902 30 20 IKED N#CCCCn1cc(C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c2ccccc21 767931413 UONCVARBRZBWQE-XMMPIXPASA-N 435.955 5.184 30 20 IKED N#CCCCn1cc(C(=O)N2CCCCC[C@H]2C[C@H](O)c2ccccc2)c2ccccc21 768060855 SSMWEWPGRJPEQR-NVQXNPDNSA-N 429.564 5.454 30 20 IKED O=C1/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)CCc2nc(O)ccc21 769616444 YAUVXRBOMZQRRV-SFQUDFHCSA-N 436.305 5.341 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2sc(Cc3ccccc3)nc2C)ccc1OC 772986637 PSSIKTYDYZBHOT-UWJYYQICSA-N 435.593 5.583 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 776818141 ZURDXKSMXNHNOD-UHFFFAOYSA-N 443.938 5.425 30 20 IKED N#C[C@H](NC(=O)c1c(C(F)(F)F)ccnc1Cl)c1ccc(OCc2ccccc2)cc1 776880505 BRRUZISFFZIOOX-SFHVURJKSA-N 445.828 5.327 30 20 IKED O=C(C[S@](=O)Cc1ccc(CF)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 777548736 QVKIFKBFYFCQEL-GDLZYMKVSA-N 441.368 5.081 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(NC3CCN(Cc4ccc(C#N)cc4)CC3)ccc21 777676948 GFNRISFKIPAYIS-UHFFFAOYSA-N 446.595 5.322 30 20 IKED CC(C)(C)OC(=O)c1cccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)c1 777878428 ASGNRIIEYIIWMH-UHFFFAOYSA-N 428.945 5.061 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 780165411 GOADSFUQWAYTRO-CQSZACIVSA-N 428.385 6.055 30 20 IKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)c2cccc(C(F)F)c2)cc1 780377371 NUVYAIJTBOYDTM-UHFFFAOYSA-N 428.460 5.070 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)c1 780706477 LKICYPQMXOAUSQ-INIZCTEOSA-N 444.409 5.456 30 20 IKED CCCC[C@@H](ON=C(C)C)C(=O)N1CCC(c2nc(-c3ccccc3OC)cs2)CC1 791947515 NDGFKKZDDQBLSX-JOCHJYFZSA-N 443.613 5.496 30 20 IKED C[C@@H](Nc1ccc2c(c1F)CCN(C(=O)OC(C)(C)C)C2)c1ccc(OCC#N)cc1 793574385 SGGCWHJFAWJFOC-MRXNPFEDSA-N 425.504 5.194 30 20 IKED CCCOc1c(Cl)cc(C=NOCc2cccc(Br)n2)cc1OCC 793831417 COWIBIQYMGBOQE-UHFFFAOYSA-N 427.726 5.236 30 20 IKED CN(c1ccccc1)c1ccc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)cn1 797784852 LEUSANSHVUHOCW-DEDYPNTBSA-N 428.542 5.127 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)c1 805112424 BDMJGLFQPOGYNL-AUSIDOKSSA-N 427.495 5.139 30 20 IKED Cc1sc(C2(NCc3ccc(N(C)CCC#N)cc3)CCC2)nc1-c1ccccc1F 815166820 VXEDOPDWQJKNDL-UHFFFAOYSA-N 434.584 5.777 30 20 IKED C=CCSc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(F)cc1 900680222 BYGGQDWBDFASBW-UHFFFAOYSA-N 449.503 5.130 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(C[C@H](C)N(C)C(=O)OC(C)(C)C)no1 904658954 VVNJUHNUSORXQC-ZDUSSCGKSA-N 441.450 5.118 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@H]1c1noc(-c2cccc(COc3ccccc3C#N)c2)n1 904700573 DLUIEQGAQGECCY-FQEVSTJZSA-N 446.507 5.259 30 20 IKED N#C[C@H](C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1nc(-c2ccccc2)cs1 915101922 KGPHIYZKYYFVJK-KUHUBIRLSA-N 439.949 5.143 30 20 IKED Cc1oc(-c2ccccc2)nc1CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915104180 MSWZMVFHVKAJMO-OAHLLOKOSA-N 441.434 5.698 30 20 IKED N#C[C@H](C(=O)c1csc(COc2ccc(F)cc2)n1)c1nc2ccccc2n1C(F)F 915104369 PFGDTFAQNLHEHD-CQSZACIVSA-N 442.422 5.096 30 20 IKED Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1cnn(-c2ccc(Cl)cc2)c1 915945803 ZHVDLSKRQFEICR-UHFFFAOYSA-N 449.754 5.262 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)cc1 916908489 AFGPHGOJBJGCJG-IBGZPJMESA-N 442.943 5.297 30 20 IKED Cc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cs2)cc1 916927564 LVKVFCXHJOSIEH-AWEZNQCLSA-N 430.316 5.387 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCc3nc(-c4ccc(F)cc4)no3)n2)cc1 916974388 JYHOUINREHUCKI-IBGZPJMESA-N 446.507 5.507 30 20 IKED N#C[C@H](C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1)c1nc2ccccc2s1 920106530 RCNYVVQMQGZKBJ-PGRDOPGGSA-N 449.535 5.097 30 20 IKED Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cccc(OCc3ccccc3C#N)c2)c(C)c1 920636325 VSVZNXDAJONTQN-HXUWFJFHSA-N 442.515 5.247 30 20 IKED CC(C)CCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1CCCC(C)(C)C 1287606383 ZCBDXQYPVXITPF-UHFFFAOYSA-N 449.603 5.186 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1786103397 VHONXGPDDQIBHA-UHFFFAOYSA-N 427.548 5.269 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C4CCSCC4)cc3)CCC2)c1 1792354009 IXCMOGWZTLUWFV-SFHVURJKSA-N 447.604 5.205 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C2(C)CCCCC2)[C@@H]1c1cccnc1 1812998954 QYYDMQGXTPBCKJ-VXKWHMMOSA-N 425.617 5.050 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)ccc2C)[C@@H]1c1cccnc1 1813772226 BZLBGCRYXWMTPS-UPVQGACJSA-N 433.596 5.010 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ccoc23)n[nH]1 1821535230 CDZVBDQSMALZFA-GHTZIAJQSA-N 432.524 5.230 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccsc2)CC1 1823752798 NQTCRXRHYDZDEY-QFIPXVFZSA-N 430.658 5.293 30 20 IKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccccc23)CC1 1828006014 JWJMPRDSJWEYMQ-DNQXCXABSA-N 438.637 5.028 30 20 IKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCCC(C)(C)C)CC1 1830418962 IGLQKDAFRCTOAC-JTHBVZDNSA-N 449.680 5.404 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)CC1 1831373322 CKBTXHBKPAHVGZ-GBXCKJPGSA-N 440.628 5.309 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)Nc1ccccc1F 11169244 HDTXBTIYGRWELC-UHFFFAOYSA-O 448.370 6.033 30 20 IKED N#CCc1ccc(N/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)cc1 18992313 LLOXMIOSMVDWLX-JCMHNJIXSA-N 447.416 5.411 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)CC)nc2scc(-c3ccc(C)cc3)c2c1=O 21577979 KOIFXNXQYWVDDL-HZPDHXFCSA-N 441.622 5.015 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccccc3SCc3cscn3)s2)cc1 29649163 XPNMFHALBGOXAQ-UHFFFAOYSA-N 448.598 5.607 30 20 IKED CC(C)n1cc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cn1 58465467 UFLNWMDSAFEGBU-QPJJXVBHSA-N 430.258 5.291 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3cccs3)n2)cc1Cl 107648879 JZTVFWZQBWBDQW-IBGZPJMESA-N 449.988 6.362 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccc(-c4ccccc4F)o3)n2)cc1 108978485 JGMRGXVXAMWTBN-HXUWFJFHSA-N 446.503 6.027 30 20 IKED Cc1ccc(Cn2nc(C)c(/C=C\C(=O)c3cccc(N4CCOC4=O)c3)c2Cl)cc1 214909900 OCMGVMOFGSJKHU-KHPPLWFESA-N 435.911 5.054 30 20 IKED N#Cc1ccccc1COc1cccc(CNC2(c3ccc(Cl)cc3)CCOCC2)c1 237680456 XCICCNGEAYVVHR-UHFFFAOYSA-N 432.951 5.586 30 20 IKED C[C@H](Cc1nnc(SCC(=O)c2cn(CCC#N)c3ccccc23)o1)c1ccccc1 255936478 BLEXGXMBCWXRFB-QGZVFWFLSA-N 430.533 5.259 30 20 IKED Cc1nc(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2c(C)c(C)sc2n1 303280249 JVRKUDQJZILLBK-LBPRGKRZSA-N 442.635 5.599 30 20 IKED CCCn1nccc1C1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 410272368 XZOXKHIIFKYSKV-UHFFFAOYSA-N 428.536 5.171 30 20 IKED O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)NCc1c(F)cc(F)c(F)c1F 430822355 OYSHALVJWHXKNH-UHFFFAOYSA-N 448.363 5.244 30 20 IKED C=C(C)Cn1c(S[C@@H](Cc2ccc(Cl)cc2F)C(C)=O)nnc1-c1ccncc1 436200656 YPVFZROERUAWAB-IBGZPJMESA-N 430.936 5.001 30 20 IKED CC(C)n1ncc2c(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cc(-c3ccco3)nc21 436351209 BZLNYUVWNYBRPQ-OFNKIYASSA-N 439.519 5.184 30 20 IKED C=CCn1c(SCc2csc(-c3ccc(O)c(OC)c3)n2)nnc1-c1ccoc1C 436786693 KOZSAUMKIYIYLI-UHFFFAOYSA-N 440.550 5.163 30 20 IKED CC(C)Oc1ccc(NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1Cl 437442969 SGLXJBUNFKEURL-CQSZACIVSA-N 431.945 5.099 30 20 IKED Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccc(Oc3ccccc3C#N)c(F)c1)CCC2 438655422 KAHRKUCOYUYGOT-IBGZPJMESA-N 436.512 5.796 30 20 IKED N#CCSc1ccccc1NC(=O)CN1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 439948483 YUFKWZUGKHIERL-LJQANCHMSA-N 433.499 5.487 30 20 IKED Fc1ccc(-n2ccc(CN[C@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)n2)cc1 444740790 GOCMVSYKEMFUKY-GOSISDBHSA-N 431.355 5.814 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC2(CCOCC2)[C@H]1C 460573423 DCARRBNURFSCEJ-QZTJIDSGSA-N 430.980 5.043 30 20 IKED N#Cc1cccnc1-n1cc(NC(=O)c2cc(F)ccc2Sc2ccc(Cl)cc2)cn1 461276902 NXTCDWKQYBCFJZ-UHFFFAOYSA-N 449.898 5.335 30 20 IKED CSc1cccc([C@H](NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c2cc(F)ccc2F)c1 464130518 GGZMKQZKCOFVON-CMJOXMDJSA-N 438.499 5.231 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1N[C@H](C)C(=O)Nc1ccccc1C#N 466987276 OVFMUNQGDVSEAS-MRXNPFEDSA-N 432.911 5.212 30 20 IKED O=C(Nc1cc(F)c(OC(F)F)cc1F)c1ccn(-c2cccc(C(F)(F)F)c2)n1 468208027 AROZRBBMUMNDMT-UHFFFAOYSA-N 433.283 5.023 30 20 IKED N#Cc1cc(F)c(C(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)c(F)c1 468621608 MUTCMPFSIMIRIL-UHFFFAOYSA-N 431.364 5.093 30 20 IKED C[C@H]1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C[C@@H](c2ccsc2)O1 470736076 GFHKOKNUMOMUNQ-JTSKRJEESA-N 434.586 5.514 30 20 IKED CC(C)c1oc([C@H]2CCCN2S(=O)(=O)c2ccc(F)c(C#N)c2)nc1-c1ccccc1 470769757 RWXGOWNRGISJRX-HXUWFJFHSA-N 439.512 5.002 30 20 IKED COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 472441044 UPYMBOGDPYJLCF-NOZRDPDXSA-N 442.515 5.091 30 20 IKED C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 472713826 KFMYEIMHRZPSDO-UZLBHIALSA-N 449.605 5.187 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 473641582 OISOSVOYXFYHKM-QFQXNSOFSA-N 448.636 5.601 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)cc(OC)c1OCc1ccccc1 474442616 YSQQBWSLMMDUMD-SFHVURJKSA-N 436.533 5.353 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Nc2ccccc2OCC(F)F)cc1 474736515 DEELBJZEUDOFOB-UHFFFAOYSA-N 437.446 5.620 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 476153157 MTVVUSIGGHWDRA-SSEXGKCCSA-N 430.618 5.121 30 20 IKED COc1cccc([C@@H](NC(=O)C[C@@H](CC#N)c2ccccc2)c2cc(F)ccc2OC)c1 476246975 PMRFXFPHMJZJNK-NIYFSFCBSA-N 432.495 5.136 30 20 IKED Cc1onc(-c2ccncc2)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 480794942 LEVRJHYAINVHEY-FQEVSTJZSA-N 428.879 5.606 30 20 IKED CC(C)(C)[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccc(F)cc1 482189854 ZNFWDNURZWJTSO-QFIPXVFZSA-N 427.495 5.177 30 20 IKED CCSc1cccc(Br)c1NC(=O)CCCCOc1cccc(C#N)c1 484884516 MCMGIMAASXYKCL-UHFFFAOYSA-N 433.371 5.621 30 20 IKED CCN(CC(F)(F)F)C(=O)c1sc(-c2ccc(OCC(C)C)c(C#N)c2)nc1C 488308281 AYNHLBQTGUCQOD-UHFFFAOYSA-N 425.476 5.049 30 20 IKED CCN(C(=O)CSCc1ccc(C#N)cc1)[C@H](c1cccnc1)c1ccc(F)c(F)c1 496536891 QNHARXQQVLMOJI-DEOSSOPVSA-N 437.515 5.103 30 20 IKED Cc1noc(C)c1COc1cccc(C(=O)N(Cc2ccco2)c2ccccc2C#N)c1 500992230 AOPLGGDDSOSTDZ-UHFFFAOYSA-N 427.460 5.182 30 20 IKED C=CCOc1cccc(NC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c1 502583519 BEFBXIKPLRVRLN-UHFFFAOYSA-N 442.346 6.188 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 503221022 BDYZMOVCKVWULC-OALUTQOASA-N 430.577 6.755 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 503842936 SIXITPWDZZOAMU-UHFFFAOYSA-N 425.966 5.635 30 20 IKED N#Cc1cccc(-c2nnc(CN[C@H](c3ccccc3C(F)(F)F)C(F)(F)F)o2)c1 505900754 IHVHSNBRCRZGSG-MRXNPFEDSA-N 426.320 5.020 30 20 IKED C=CCn1c(-c2ccoc2)nnc1N1CCC(c2nc(-c3ccccc3OC)cs2)CC1 508887144 HVKWWSWCVFUTDV-UHFFFAOYSA-N 447.564 5.240 30 20 IKED CO[C@H](CSCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)cc1 509132171 OGDBMWKLBPRQJA-HNAYVOBHSA-N 435.014 5.794 30 20 IKED CN(Cc1ccc(Cl)cc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510235016 GPRICNUWJATYCY-UHFFFAOYSA-N 429.958 5.019 30 20 IKED CC[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(Cl)c1 511437261 JFDHOPKKIRTJDZ-QHCPKHFHSA-N 433.939 6.258 30 20 IKED CCC(C)(C)C1CCC(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 512617700 FPQQVXMOVGYBGH-UHFFFAOYSA-N 438.572 5.134 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1nc2ccccc2n1C(F)F 512975319 KXNTUUNHSYSQOQ-HNNXBMFYSA-N 438.821 5.762 30 20 IKED COCCSc1ccc([C@@H](C)NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1 513212733 PQKXRWWOROTUIW-LJQANCHMSA-N 446.572 5.367 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)CCCc3ccc(Br)s3)n2)cc1 514484644 GIEOESZLXFYCCJ-UHFFFAOYSA-N 432.368 5.467 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4c(s3)-c3ccccc3OC4)n2)cc1 516270077 MRTNPPVOBVYWHO-GOSISDBHSA-N 444.537 5.930 30 20 IKED Cc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 516415057 FEIFRESSJAUAFE-MBSDFSHPSA-N 445.950 5.462 30 20 IKED CCOc1ccc(S(=O)(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccccc12 517433868 GZPOCTXGTVHFRP-MRXNPFEDSA-N 426.563 5.291 30 20 IKED N#C[C@H](C(=O)c1csc(-c2cc(Br)cs2)n1)c1nc2ccccc2o1 518502276 GURMFBDDHCPOTM-SNVBAGLBSA-N 430.308 5.265 30 20 IKED CC1CCN(c2ccc(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)cn2)CC1 520598250 XYGQZDOORZOYND-UHFFFAOYSA-N 441.535 5.304 30 20 IKED COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 520625214 SRZYMTXRHOYDAK-ZWKOTPCHSA-N 445.519 5.046 30 20 IKED Cc1c(Br)c2ccccc2n1CC(=O)Nc1ccccc1SC[C@H](C)C#N 521729041 DTIYAEBYYJVIGN-CQSZACIVSA-N 442.382 5.603 30 20 IKED CC(C)(Oc1ccc(F)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 521734405 NSQITBNYORJARM-UHFFFAOYSA-N 426.435 5.646 30 20 IKED C=CCn1c(SCc2ccc(OCc3ccncc3)cc2)nnc1-c1ccc(OC)cc1 522062475 SDIFDBMOOWOLHZ-UHFFFAOYSA-N 444.560 5.406 30 20 IKED C[C@@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1nc2ccccc2n1C(F)F 523127773 DCJQOQYVMJRYNS-OAHLLOKOSA-N 431.446 5.538 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(O)nc2cc(F)ccc12 523506203 HPEPGQYTRHEQAX-UHFFFAOYSA-N 427.435 5.091 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1 524255669 KHPHHTWCJPYIHJ-UHFFFAOYSA-N 432.442 5.033 30 20 IKED CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1 524669549 INNZNLFBPOITIX-UHFFFAOYSA-N 431.467 5.224 30 20 IKED Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 537567250 WXQPLMXGSNRANK-UHFFFAOYSA-N 444.347 5.354 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1cccc(C#Cc2ccccc2)c1 537571106 AKCCCXAPXBOKFH-INIZCTEOSA-N 425.454 5.204 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 538026008 SBPCOXRISAZPOA-CFSSXQINSA-N 433.936 5.383 30 20 IKED C[C@H](NC(=O)c1ccc(NC(=O)N(C)C)cc1Cl)c1ccc(-c2cccc(C#N)c2)cc1 541072258 ZBMSGEGOABKJMC-INIZCTEOSA-N 446.938 5.463 30 20 IKED Cc1nc(C)c(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)s1 541194612 SGRSUFHEYXRHPG-CYBMUJFWSA-N 436.343 6.191 30 20 IKED CN(C(=O)c1cccc(COc2ccccc2C#N)c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 541633660 HXGAXMHVMNFSLZ-AZGAKELHSA-N 444.506 5.269 30 20 IKED CCNC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(C)c1 542016821 ICOXLBWXEPBANJ-GOSISDBHSA-N 426.520 5.166 30 20 IKED CC(C)Cn1cc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(C(F)F)n1 542029125 ZQRADLOUBPBWQM-INIZCTEOSA-N 437.494 5.898 30 20 IKED CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 543870819 NPZFMJYHLHYBOM-OAHLLOKOSA-N 432.911 5.720 30 20 IKED N#Cc1cc([N+](=O)[O-])c(N[C@H]2CCc3c(O)cccc32)cc1N[C@@H]1CCc2c(O)cccc21 553401608 RNXWXXCIJVXNRZ-UXHICEINSA-N 442.475 5.076 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(-c2ccccn2)cc1)c1ccc(-c2cccc(C#N)c2)cc1 555017244 TVAXHBLLKVRNGH-IBGZPJMESA-N 446.510 5.103 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(F)(c3ccccn3)CC2)cc1 558405929 AGTFSQXDURPQIS-UHFFFAOYSA-N 431.536 5.347 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1nc(Sc2ccccc2)ns1 582209308 JMJCYBPLIMUKJT-UHFFFAOYSA-N 428.587 5.077 30 20 IKED C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 589051407 KMCCDDMEDMGHSK-GARJFASQSA-N 437.302 5.062 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)c2)cc1 589830705 NPJLHBMRLRLITI-HSZRJFAPSA-N 437.499 5.154 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2nc(-c3ccncc3)cs2)cc1 603454732 LMUWIBMRQPXTPG-UHFFFAOYSA-N 428.542 5.621 30 20 IKED N#C[C@H](C(=O)c1cccc(Oc2cnccn2)c1)c1nc(-c2c(F)cccc2F)cs1 606145491 IAQRSLHUNCJWHB-OAHLLOKOSA-N 434.427 5.161 30 20 IKED O=C(c1cc(C2CC2)nc2ccc(F)cc12)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 608116684 FVNSMGSOMDAPDB-TXEJJXNPSA-N 434.355 5.454 30 20 IKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1cccc(C(F)(F)F)c1 608865867 YDUFIAKUELBMSN-SFHVURJKSA-N 437.849 5.073 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(COCc2ccccc2)c1 608918240 CDWTVALNWZKTQH-UHFFFAOYSA-N 427.548 5.395 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)NCc2ccccc2COCc2ccccc2)c1 609083010 KVTXWMVWRIMXPV-UHFFFAOYSA-N 437.446 5.198 30 20 IKED COCCn1c(C)c(C)c2cc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)ccc21 609125415 GXGSRVQQJPHIME-UHFFFAOYSA-N 430.533 5.152 30 20 IKED Cc1cccc(Oc2ccccc2NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 609204658 ARZDEEPNJYAZBH-UHFFFAOYSA-N 427.504 5.734 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H]3CCN(CCc4ccccc4)C3)cc2)c1 609433710 DDBAHEKAJVFINC-QHCPKHFHSA-N 440.547 5.037 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 609508606 SRYIOEKJEZUXLG-CSODTCANSA-N 429.347 5.475 30 20 IKED Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cccc(Oc3cccc(Cl)c3C#N)c1)CCC2 609724993 YOONXSQBPFGJKW-FQEVSTJZSA-N 437.952 5.919 30 20 IKED CCO[C@H](C)c1nc(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cs1 609753668 HMZPGNHIHCVOIZ-ZIAGYGMSSA-N 431.627 5.506 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609782241 WEZPTHVPWLWRHU-UHFFFAOYSA-N 430.464 5.701 30 20 IKED CN(C)c1cccc([C@H]2CCCN2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 609811133 PLKZXSGQKPKKNZ-RUZDIDTESA-N 426.520 5.786 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Nc3ccc(OCC4CCOCC4)cc3)cc2)cc1 609929060 ZWGCCZPUOUTPLC-UHFFFAOYSA-N 443.503 5.800 30 20 IKED N#Cc1cccc(OC2CCN(Cc3ncc(-c4ccccc4Br)o3)CC2)c1 610213022 ABXKEPNQYJLZHY-UHFFFAOYSA-N 438.325 5.019 30 20 IKED Cc1sc(NC(=O)C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)c(C#N)c1C 610220437 CDXVXRTUGUBQHZ-UHFFFAOYSA-N 446.572 5.503 30 20 IKED N#Cc1cc(N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)ccc1[N+](=O)[O-] 613275537 HXUCGNZBPOKWEI-HSZRJFAPSA-N 447.539 5.160 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)nnc1-c1ccc(F)cc1 613937076 FPKVGRZXFYNNMU-OAHLLOKOSA-N 444.963 5.235 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 618765449 ABBDNRCSSULBRD-NRFANRHFSA-N 448.885 5.412 30 20 IKED CCc1ccc(OCc2nnc(Sc3ccc(C#N)cc3[N+](=O)[O-])n2CC(C)C)cc1 619687342 PFQKELWRFFEBRN-UHFFFAOYSA-N 437.525 5.007 30 20 IKED N#C[C@H](C(=O)c1ccc2nc(O)oc2c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 619753861 HXVYHAZBZCZMRC-GFCCVEGCSA-N 430.272 5.454 30 20 IKED Cc1c(CNC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)oc2ccc(F)cc12 620089963 AUQLAGZSMNSGEE-GHMZBOCLSA-N 440.359 5.589 30 20 IKED O=C(NCC1(c2ccc(F)cc2)CCC1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 623854470 YSLHZOHADXOEFQ-ZIAGYGMSSA-N 440.403 5.456 30 20 IKED C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CC[C@@H](c2ccco2)C1 669811313 JBPLOGUETLCXBH-OAQYLSRUSA-N 426.520 5.297 30 20 IKED Cc1cc([C@@H](N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2cccnc2)ccc1F 680336613 LCHPPGMKDGCSJO-VUHPKUFZSA-N 434.399 6.118 30 20 IKED COc1cc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1C(F)(F)F 684122922 RBWSMYBIRHHHRQ-RKDXNWHRSA-N 438.290 5.309 30 20 IKED CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=S)Nc1ccc(C#N)c(Cl)c1 726452250 RRCJHCCCQZSFSG-UHFFFAOYSA-N 446.363 5.522 30 20 IKED N#Cc1ccc(NC(=S)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1Cl 726473247 GUCZEQOSNAGIGT-UHFFFAOYSA-N 431.348 5.583 30 20 IKED CCC[C@H](C#N)NC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 726532733 QLLHTGDMCQZQJI-QGZVFWFLSA-N 440.619 5.378 30 20 IKED N#C[C@H](C(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1)c1ccc2ccccc2n1 730071088 FGDKLTLPEYORCT-QHCPKHFHSA-N 426.903 5.886 30 20 IKED CC(C)[C@@H](C#N)NC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 732096455 NESGSXXTPPDCOR-GOSISDBHSA-N 440.619 5.234 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)ccc1OC 733230721 RLAVDFZBVKXUGW-NXHRZFHOSA-N 433.335 5.103 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)OCC(=O)c2ccc3c(c2)COC3)c1 735165588 NDGZSXOJEUVDCI-UHFFFAOYSA-N 433.847 5.074 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)ccc1F 735263217 OCTPGVBVLRLYNC-UHFFFAOYSA-N 444.347 5.130 30 20 IKED Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 737541838 UWZSBIUOBDMTLZ-UHFFFAOYSA-N 445.425 5.631 30 20 IKED CC(C)(CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)NC(=O)OC(C)(C)C 740534070 CBGQDSBPEMUZQK-HNNXBMFYSA-N 433.961 5.333 30 20 IKED CC(=NNc1ncnc2scc(-c3ccc(C)cc3)c12)c1c(Cl)nc2sccn12 741838209 QOVGAVWHKPHSRO-UHFFFAOYSA-N 438.969 5.865 30 20 IKED Cc1ncsc1/C=C1\CN(Cc2ccc(Cl)cc2)C/C(=C\c2scnc2C)C1=O 742433297 VNZBZNBOZIFNSW-ZEELXFFVSA-N 442.009 5.422 30 20 IKED C[C@@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1nc(-c2ccc(Cl)cc2)no1 743150053 PGRIPOYIHSENNM-MRXNPFEDSA-N 443.894 5.068 30 20 IKED N#C[C@@H](C(=O)CCCOc1cccc(Cl)c1Cl)c1nc(-c2ccccc2)cs1 743447996 ZOSWMRBYOUUDHG-HNNXBMFYSA-N 431.344 6.152 30 20 IKED C[C@@H](OC(=O)c1cc2ccccc2n1CC#N)c1ccc(N(C)Cc2ccccn2)c(F)c1 744204070 PCCFBUGFANTYMN-GOSISDBHSA-N 442.494 5.253 30 20 IKED N#C[C@@H](C(=O)CCc1ccc(Br)cc1F)c1nc2ccccc2n1C(F)F 745313604 SQOXTIUAASVRQG-ZDUSSCGKSA-N 436.231 5.142 30 20 IKED C#CC[C@H](OC(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(C)C 747195641 HWFNZLJIOSNURL-YJBOKZPZSA-N 440.590 5.277 30 20 IKED CC(C)(C)OC(=O)N1CCc2cc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)ccc21 752672170 VRFGRTRBNGLAML-GGAORHGYSA-N 446.551 5.288 30 20 IKED N#C[C@H](C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)c1nc2cc(F)ccc2s1 754534659 REIHOHQAERPJNB-CYBMUJFWSA-N 435.307 5.972 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1 756922593 SVZDDYUNGHEKIR-SFHVURJKSA-N 441.487 5.107 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H](O)c2cc3ccccc3s2)cc1 758330340 PGESAHSZPBERRT-NRFANRHFSA-N 444.581 5.529 30 20 IKED C=C[C@H](CC(=O)OCc1csc(N(C(C)=O)c2ccc(C)cc2C)n1)c1ccccc1 758921926 VCNKVRLTIAWPHO-HXUWFJFHSA-N 434.561 5.848 30 20 IKED C=C[C@@H](CC(=O)N(C)c1ccccc1C(=O)N(C)CCc1ccccc1)c1ccccc1 759044981 UVGHYIHBKBWNRT-QHCPKHFHSA-N 426.560 5.324 30 20 IKED C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N 759412330 HOQDUODNZGBJEI-CXAGYDPISA-N 437.330 5.150 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl 760797768 XDYUNPUYVHUEOX-UHFFFAOYSA-N 432.238 5.474 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@@H](c1ccc(Br)cc1)C1CCC1 761446050 KNYDIDCNKIULSE-OAQYLSRUSA-N 443.341 5.055 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)/C=C(\c3ccc(Cl)cc3)C(F)(F)F)CC2)cc1 762192691 VYJCSJUVJOKDSE-DEDYPNTBSA-N 434.845 5.227 30 20 IKED CC1(C)CCCN(C(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)[C@@H]1C#N 765149142 OWSRSDDYSZKNAN-OAQYLSRUSA-N 449.352 5.214 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 765917060 WTIUXBITVFRFJN-LJQANCHMSA-N 439.581 5.332 30 20 IKED Cc1c(NC(=O)c2cn(CCCC#N)c3ccccc23)cnc(Cl)c1Br 768210989 LDSPHQWDYSRQTK-UHFFFAOYSA-N 431.721 5.317 30 20 IKED OC1(c2ccccc2C(F)(F)F)CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 769828680 JPLIZTTZIBSBCT-UHFFFAOYSA-N 427.388 5.059 30 20 IKED CC(C)(C)OC(=O)NC[C@H](NCc1ccc(OCC#N)cc1)c1ccc2ccccc2c1 775528689 GMZSAAQEZBEOMI-DEOSSOPVSA-N 431.536 5.098 30 20 IKED COCCOc1cccc(F)c1C(=O)/C=C/c1cnn(Cc2ccc(C(F)(F)F)cc2)c1 777466799 FXJWWYQWHOCZLV-JXMROGBWSA-N 448.416 5.011 30 20 IKED N#C[C@H](C(=O)C1(c2ccccc2Cl)CCOCC1)c1nc2ccccc2n1C(F)F 779194275 KQOQEBKXPDYPSF-CQSZACIVSA-N 429.854 5.009 30 20 IKED C[C@H](C#N)Oc1ccccc1N[C@H](C)c1nc2cc(Cl)ccc2n1Cc1ccccc1 779712590 JUQXOSFMQKMBJR-QZTJIDSGSA-N 430.939 6.202 30 20 IKED N#C[C@H](C(=O)NCc1ccc(F)c(F)c1)C(=O)c1ccc(Oc2ccccc2Cl)cc1 786568061 GQVFLXZSCONRLN-KRWDZBQOSA-N 440.833 5.049 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccsc3)N(CCCCC#N)C2=O)c1 790761196 RWPLUNYSFTVOSJ-LJQANCHMSA-N 440.594 5.019 30 20 IKED Cc1c(Cl)cccc1-n1ccnc1SCC(=O)[C@H](C#N)c1nccc2ccccc12 792103117 JAFYCKFHOWHCEC-SFHVURJKSA-N 432.936 5.351 30 20 IKED COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3)n2)c(C)c1OC 794737165 BRHZCZHSWKEVFS-XFFZJAGNSA-N 440.496 5.189 30 20 IKED CC(C)(C)OC(=O)N1Cc2ccc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)cc2C1 797570799 JYZPCIMTJBWBKI-KRWDZBQOSA-N 425.554 5.181 30 20 IKED N#CC1(CCCOC(=O)c2ccc(-c3ccc(Br)cc3)s2)CCOCC1 800136927 XBQCDYZCRPWULP-UHFFFAOYSA-N 434.355 5.435 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCN(c2ccccc2Cl)C1)c1nc(-c2c(F)cccc2F)cs1 810556108 ZKCOITMWUKTKDU-ZIAGYGMSSA-N 443.906 5.444 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3ccc(C4SCCCS4)cc3)cc2)ccn1 810822098 MOFPWXIGSDPKMH-UHFFFAOYSA-N 433.558 5.867 30 20 IKED CCc1sc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1Br 815908487 CKMYDHIUPNZCSU-CQSZACIVSA-N 427.323 5.187 30 20 IKED N#Cc1ccc(OC(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)cc1 817947221 AMGKDZBFUXQSKQ-UHFFFAOYSA-N 440.406 5.105 30 20 IKED C[C@H](OC(=O)[C@@H](C)Oc1ccc(C#N)cc1)C(=O)N1c2ccccc2Sc2ccccc21 821040245 YYRCKSXEKYCQPO-DLBZAZTESA-N 444.512 5.087 30 20 IKED CC(C)(C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 883977769 VTWULHLFDWCAJA-WDNDVIMCSA-N 449.357 6.009 30 20 IKED CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1ccc(NC(=O)NC(C)C)cc1 915048976 MQZGQHCVYLFOJY-UHFFFAOYSA-N 430.434 5.015 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1 915179731 HFYJCZMQYAXSRO-QHCPKHFHSA-N 427.504 5.786 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)c(C)n1[C@@H](C)c1ccccc1 916937705 GMYACIAEFLABMW-YWZLYKJASA-N 437.902 5.468 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(C3CCCCC3)cc2)cs1 917561650 IVCAHRGXLPEPRR-VKAVYKQESA-N 444.600 7.080 30 20 IKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@@H](C)c2ccc(C)s2)c1 920169590 GWEBDFCMMJPNSX-JXFKEZNVSA-N 441.622 5.035 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3C(C)(C)C)CCC2)cc1 1786678432 ROZFOJCFTOVKJR-UHFFFAOYSA-N 437.609 5.046 30 20 IKED Cc1cncc(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)c1 1787430074 IWCRSTQHFUNLFH-UHFFFAOYSA-N 447.655 5.189 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3occc3Br)cc2)CCC1 1788719374 ZAGGQVFJOGWDHD-CQSZACIVSA-N 431.330 5.002 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc4sccc4[nH]3)cc2)CCC1 1789370749 BZCRXKKBXPSUFB-UHFFFAOYSA-N 429.492 5.189 30 20 IKED Cc1ccoc1C(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789508975 YXXPQYLKWFKZAE-UHFFFAOYSA-N 436.628 5.387 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCCn3ccnc3C)CCC2)cc1 1789625650 NCNKSBWVQVHKAP-UHFFFAOYSA-N 436.600 5.098 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)c(F)c3)cc2)CCC1 1790617808 JOFURHCUTLHWIU-OAHLLOKOSA-N 445.922 5.028 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc4ccsc4[nH]3)cc2)CCC1)C(F)(F)F 1790876784 GRVUYJXVHVEROJ-UHFFFAOYSA-N 433.455 5.096 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)c(F)cc4[nH]3)CCC2)cc1 1791249995 GBWQGSAPNBGKMP-HNNXBMFYSA-N 437.490 5.406 30 20 IKED CC(C)(C)CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C(=O)c1cccs1 1796897594 BSWCPFOXYAOFMD-SDRBGGSMSA-N 444.641 5.122 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](CCC)n3cccc3)C2)CC1 1810935366 LMCRGIAOBHYVPF-JOCHJYFZSA-N 427.633 5.053 30 20 IKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4occ(Cl)c4c3)[nH]n2)C1 1814396686 GYHVAHMBDCSYDZ-LJQANCHMSA-N 438.915 5.081 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1819311201 PUVYJCUBNCBAAY-QTGUNEKASA-N 445.567 5.111 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(Cc3cccc(F)c3)c2)n[nH]1 1823341180 KGLBHFVEVKGIDM-HSZRJFAPSA-N 446.526 5.022 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3sccn3c2)CC1 1827406255 NVJNVUCZHIJJRB-VXKWHMMOSA-N 439.625 5.003 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(OC)c2)CC1 1830457589 AFBDNFCYILIVMY-RUZDIDTESA-N 438.612 5.005 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1)=C(/S)Nc1cccc(Cl)c1 10830208 ZSEDBUREJSIKDP-UHFFFAOYSA-O 430.380 5.894 30 20 IKED C=CCn1c(SCC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)nnc1-c1ccccc1 11055919 AOLKZTNEWLUDLQ-LJQANCHMSA-N 432.593 5.051 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1F)=C(/S)Nc1c(C)cccc1C 11153516 LIZLJOXWDIPVIH-UHFFFAOYSA-O 425.524 5.482 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2ccc(N(C)C)cc2)cc1F 14872309 YWYAPZAZYMQWAB-UHFFFAOYSA-O 442.967 5.192 30 20 IKED C[C@H](OC(=O)c1cc(Cl)sc1Cl)C(=O)Nc1sc2c(c1C#N)CCCCC2 18582978 XGJWARLWKVLSMU-VIFPVBQESA-N 443.377 5.441 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(F)cc2)cc1 22730493 JAKWMTZHZFEAEQ-UHFFFAOYSA-O 429.487 5.395 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(CC)cc2)[n+]2ccc(CC)cc2)cc1 22731017 QQOPGGGZRUNEEV-UHFFFAOYSA-O 433.597 5.549 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1coc2ccc3ccccc3c12 46667854 CPRYCAZBMFUXSI-UHFFFAOYSA-N 433.467 6.135 30 20 IKED COCCn1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c2ccccc21 64715479 VANRNKZLUAEYEX-OAHLLOKOSA-N 437.471 5.179 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3csc(-c4ccccc4)n3)s2)cc1 71801402 DTNHHXGOZCIXNZ-UHFFFAOYSA-N 435.559 5.078 30 20 IKED CC[C@@H](C)[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1nc2ccccc2[nH]1 108286402 CXHCFSSZNTVJKF-MWTRTKDXSA-N 428.492 5.124 30 20 IKED C[C@@H](C#N)Oc1ccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1 110651366 POODDIOTHVWWNN-VAKHEIKFSA-N 445.331 5.472 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cs1 303329262 WCINTMODDMSTQR-OAHLLOKOSA-N 425.604 5.793 30 20 IKED N#Cc1cc(NC(=O)C(=O)NC(c2ccccc2)c2ccccc2)ccc1Oc1ccccc1 425953684 SWSYWJFQBXMVET-UHFFFAOYSA-N 447.494 5.195 30 20 IKED Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3ccc(Oc4cccc(Cl)c4Cl)nc3)nc12 429570703 XEHVTWCKOXFHOX-CYBMUJFWSA-N 438.274 5.251 30 20 IKED COC(=O)c1cc([C@@H](C)SCC(=O)Nc2ccccc2SC[C@H](C)C#N)oc1C 431098135 BXXBLLVOKWVLSI-UKRRQHHQSA-N 432.567 5.059 30 20 IKED C[C@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccccc1-c1ccc(Cl)cc1 434930759 KJJFFFLKMSCGSO-INIZCTEOSA-N 448.954 5.251 30 20 IKED Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 437464296 BUWWHRNIWMZGDS-UHFFFAOYSA-N 430.464 5.569 30 20 IKED CCN(CCOc1ccc(Br)cc1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 437905396 DTMUAFICGYBLDG-UHFFFAOYSA-N 430.346 5.183 30 20 IKED CC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 437963424 MDNVINPVUYVAEW-DEOSSOPVSA-N 427.548 5.931 30 20 IKED C[C@H](Nc1ccc(COCc2ccccc2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 439647251 NDTSVRQIBZRAGZ-KRWDZBQOSA-N 431.561 5.264 30 20 IKED CCCc1c(NC(=O)N(CCC)[C@H]2CCCc3cccnc32)cnn1-c1cccc(C#N)c1 439670574 YTQWQLUJVKEKTA-DEOSSOPVSA-N 442.567 5.413 30 20 IKED N#Cc1c(NC(=O)c2cc(F)c(F)cc2Br)sc2c1-c1ccccc1CC2 440798225 GUGDFCOJUYZCCK-UHFFFAOYSA-N 445.288 5.678 30 20 IKED N#CC1CCC(CNC(=O)[C@H](Oc2cccc(Br)c2)c2ccccc2)CC1 441140189 MBLUQPLLAQRRHV-MYKUNDNFSA-N 427.342 5.015 30 20 IKED C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 442520277 ZSLNPORYUNLKGU-FQEVSTJZSA-N 441.531 5.194 30 20 IKED N#CC1CCC(CNC(=O)C(=O)Nc2cc(Cl)ccc2Oc2ccc(Cl)cc2)CC1 443332179 HDOCVGSFYBPBRZ-UHFFFAOYSA-N 446.334 5.170 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444019286 JFHGRBXUMMDEAF-KRWDZBQOSA-N 429.364 5.412 30 20 IKED Cc1ccc2oc(CN(CC(=O)Nc3ccccc3SCC#N)Cc3ccco3)cc2c1 444231413 DTZCSDYBUHJKFZ-UHFFFAOYSA-N 445.544 5.591 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(Br)s1 444365181 NXHQYWOZUYGFRY-LBPRGKRZSA-N 428.311 5.061 30 20 IKED COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1cn(CCCC#N)c2ccccc12 444409961 GXOBSZRNSWIUQK-INIZCTEOSA-N 425.916 5.264 30 20 IKED N#CC(CCN1CCC2(CC1)OCCc1ccsc12)(c1ccccc1)c1ccccc1 444686442 SLROBYCTPWGDNZ-UHFFFAOYSA-N 428.601 5.512 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2cncc(-c3ccc(C)cc3)c2)c1C#N 445556118 FQSNXJHOGOJOLM-UHFFFAOYSA-N 425.517 5.089 30 20 IKED Cc1ccc(-c2c(C)sc3nc(CN4CCC[C@@]5(CCCCO5)[C@@H]4C#N)nc(O)c23)cc1 447911676 FJKLWJMCXJZJLM-DFBJGRDBSA-N 448.592 5.108 30 20 IKED C[C@H](C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1)c1cccc(C#N)c1 462135340 DYWRFYGYPHWAAT-ZDUSSCGKSA-N 439.302 5.255 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)CCOCc2ccccc2)cc1 465247027 SMNGYSZDOYCCOC-UHFFFAOYSA-N 431.492 5.040 30 20 IKED CCN(Cc1cccc(-c2ccncc2)c1)C(=O)NCCSCc1ccccc1C#N 465624442 CWOAPQOTVGQTIK-UHFFFAOYSA-N 430.577 5.085 30 20 IKED N#CCCCOc1cccnc1NC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1 466610883 RIPDUPVWAGRDEF-UHFFFAOYSA-N 432.446 5.194 30 20 IKED C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(OCc2ccccc2)cc1 468879527 FVQJEQSABAEWKJ-NRFANRHFSA-N 439.559 6.022 30 20 IKED COc1cccc(C[C@@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2ccccc2)c1 469222077 KOTYAGSMKQETIB-AREMUKBSSA-N 439.559 5.674 30 20 IKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cc2cccc(F)c2o1 473871238 BRNBNGIEPLXIER-KRWDZBQOSA-N 443.478 6.100 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cc(O)nc2ccc(F)cc12 474261452 ZOEGZOGNHJHOJT-MRXNPFEDSA-N 446.322 5.522 30 20 IKED C=C(C)[C@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(F)c(F)c1 478920492 GQZZGYYXWIOAFG-SFHVURJKSA-N 435.883 5.194 30 20 IKED C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1nc(-c2ccc(Br)cc2)cs1 478925034 SKTRPDWNCULBHD-CYBMUJFWSA-N 441.354 5.521 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1 479663561 QFGXBAMAQYXMMR-QFIPXVFZSA-N 436.483 5.201 30 20 IKED C[C@H](N[C@H](c1ccccc1)c1nccs1)C(=O)Nc1sc2c(c1C#N)CCCCC2 479991450 HBVKKWPYPGYMCM-MGPUTAFESA-N 436.606 5.051 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(NS(=O)(=O)CCCC)cc1 481242839 QAQIFXJQJMPEOY-UHFFFAOYSA-N 442.006 5.163 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@@H](c3ccccc3)[C@@H]3CCCO3)cc2F)c1 481567079 AYHMHMOIDNOPMC-DQEYMECFSA-N 445.494 5.318 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 482076384 DNBYOEDZQCNJCE-QGZVFWFLSA-N 434.506 5.702 30 20 IKED CCCCn1ncc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1C(C)C 485090818 IBXOTEFPFHNBTP-UHFFFAOYSA-N 445.523 5.048 30 20 IKED N#Cc1cc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)ccc1Cl 494707735 GGICYTBFXAZOMD-UHFFFAOYSA-N 443.256 5.134 30 20 IKED CC(C)CN(C(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)c1ccc(C#N)cc1 499307276 FFPJLBNSCOJWOD-SFTDATJTSA-N 447.579 5.029 30 20 IKED Cc1cc(C(=O)N(C)[C@H](c2ccc(Cl)cc2)C(F)(F)F)nn1-c1cccc(C#N)c1 503432119 QQFYDMDLEKTPGU-LJQANCHMSA-N 432.833 5.081 30 20 IKED CCN(C(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 504074623 WFTXXVAXZQJFDL-INIZCTEOSA-N 434.458 5.050 30 20 IKED Cc1nc(COc2cccc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)c2)cs1 505941737 CUVANPWVUBMHAR-LJQANCHMSA-N 431.439 5.044 30 20 IKED O=[N+]([O-])c1cc(F)c(CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(F)c1 510768362 XSPRCHWCNVQFCI-OAHLLOKOSA-N 428.279 5.675 30 20 IKED CCn1c(C)cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1C 510836291 WMHYUSANPQAABJ-UHFFFAOYSA-N 432.471 5.315 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC[C@H](n3ncc4ccccc43)C2)c1 510956356 WUPVQAXXZAIKOJ-NRFANRHFSA-N 442.906 5.441 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccccc2)cc1Cl 511504747 ISEUMCBIRIKELP-VWNXMTODSA-N 443.934 5.298 30 20 IKED Cc1nc(C(F)(F)F)ccc1C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 511721434 SRGVJACRZUCBKT-CYBMUJFWSA-N 428.279 5.044 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@H](C)c1ccc(C#N)cc1 512784692 ZTVDUMDCSLLYGP-CABCVRRESA-N 425.941 5.366 30 20 IKED COc1cccc([C@H]2C[C@@H](C)CN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1 515560101 XDINWYAEXNEPCQ-MZNJEOGPSA-N 428.492 5.369 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)c(C)c2c1 516125122 GDDBWMQZXSRMOK-UHFFFAOYSA-N 442.437 5.339 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1Cc2ccccc2-c2ccccc2C1 517533639 YIMOVNFAFHTRJP-SFHVURJKSA-N 441.556 5.229 30 20 IKED CC[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccc(C)cc1 518670452 ADMIVUMXUSMMPL-KRWDZBQOSA-N 449.498 5.226 30 20 IKED CCC(=O)Nc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 524392491 LXGULBAXTZXNBX-UHFFFAOYSA-N 433.895 5.391 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)cc1 524483141 GMDKZXUFCQKMIX-UHFFFAOYSA-N 429.442 5.032 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 524487658 YBWUSPZUCAPNEV-GOSISDBHSA-N 427.529 5.641 30 20 IKED Cc1ccccc1[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CCO1 525230199 VGFOHLFQAJMNBC-XMMPIXPASA-N 431.467 5.404 30 20 IKED CCOc1c(Br)cc(C(=O)N(CC)c2ccc(C#N)c(Cl)c2)cc1OC 534385882 UFFHUPKUMJSUEE-UHFFFAOYSA-N 437.721 5.048 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1cncc2ccccc12)c1ccc(C(F)(F)F)cc1 535390735 XKJLMCBNRLLCTN-LJQANCHMSA-N 427.426 5.016 30 20 IKED N#C[C@@H](C(=O)c1cc(OC(F)F)cc(OC(F)F)c1)c1nc2cc(Cl)ccc2s1 538364759 JPONRPIRSYSXCG-LBPRGKRZSA-N 444.793 5.643 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nn1C1CCCCC1 540684124 KXVXQUFFQADUDJ-OAHLLOKOSA-N 426.492 5.589 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(CCCn3ccnc3)CC2)cc1 542166034 BNDMSSOAOXEDHP-UHFFFAOYSA-N 428.536 5.188 30 20 IKED CN(C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 542178612 KYMGPYOYQAMLDJ-RHSMWYFYSA-N 448.338 5.032 30 20 IKED C[C@H](NC(=O)[C@@H](OC1CCOCC1)c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 542928541 RUVHUBDWVBNMBR-DCFHFQCYSA-N 440.543 5.339 30 20 IKED C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 544534703 IJQLRYNMMMFFMY-ZHRRBRCNSA-N 432.911 6.014 30 20 IKED CCCc1c(NC(=O)Nc2ccccc2SC[C@H](C)C#N)cnn1-c1cc(C)ccn1 544889033 UMGIFFWIEDNBAZ-QGZVFWFLSA-N 434.569 5.424 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(NC(=O)Nc2ccccc2)s1 553451139 YDIOAAVPVQZZLU-UHFFFAOYSA-N 437.569 5.388 30 20 IKED Cc1nc(C2(NC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CCCCC2)no1 558287642 FXYUVGYVAOUVIA-UHFFFAOYSA-N 445.523 5.004 30 20 IKED C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N(C)Cc1csc([C@H](C)OCC)n1 558996479 HKVLQRKWJFJOMJ-INIZCTEOSA-N 429.565 5.159 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C(=O)Nc4ccccc4)cc3)n2)cc1 559738661 ICAFPTUMQMIXTQ-JOCHJYFZSA-N 437.524 5.861 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)[C@@H]3CCn4c(cnc4C4CCCCC4)C3)cc2)ccn1 564549991 RREDPBLXDQGMQU-LJQANCHMSA-N 441.535 5.191 30 20 IKED C=CCN(C(=O)COCc1ncc(C)o1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 571555618 RPUNXBPLLGSGSX-UHFFFAOYSA-N 445.544 5.509 30 20 IKED N#Cc1ccc(C2=CCN(c3nnc(-c4ccc(C#N)cc4)n3Cc3ccccc3)CC2)cc1 571609062 DIUMPIQSWAKSNN-UHFFFAOYSA-N 442.526 5.030 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)Nc3cccc(COCc4ccco4)c3)cc2)ccn1 576507962 NSAODUHDXMDJMF-UHFFFAOYSA-N 440.459 5.699 30 20 IKED N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 584797469 OGMUBQCSKJSJCU-SECBINFHSA-N 442.388 5.383 30 20 IKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 589365536 BVLGKXGLTYYNDI-CJFMBICVSA-N 442.519 5.377 30 20 IKED Cn1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C(F)F 589830559 MPDRDLVJUCKGHE-SNVBAGLBSA-N 427.263 5.278 30 20 IKED N#Cc1cc(NC(=O)C(=O)N[C@H](CCCc2ccccc2)c2ccccc2)ccc1Cl 603706544 WOUPSJNFNXHJLG-HSZRJFAPSA-N 431.923 5.031 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)o1 603957050 JTJRVDPVEVDZPZ-UHFFFAOYSA-N 425.444 5.515 30 20 IKED Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1COc1ccc(CC#N)cc1 603984043 ZSQIXHNVSOFJGR-UHFFFAOYSA-N 426.925 5.094 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)[C@H](C#N)c3nc4ccccc4s3)ccc21 604690903 NJYYZKSNEQJNAY-ZDUSSCGKSA-N 428.439 5.736 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1OCc1ccncc1 609072446 MOZLFCROPXHBNV-UHFFFAOYSA-N 449.510 5.672 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 609435328 HFJRXDOQZPXMBJ-OXJNMPFZSA-N 447.526 6.859 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCCCCCOC3CCCCC3)c2)c1 609554141 UXXAKZLIHXCUJO-UHFFFAOYSA-N 448.567 5.452 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)c1 609630836 UKGBKMAQFTXEKN-HXUWFJFHSA-N 445.950 5.047 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)cc1 609681904 CXCLFANRQBAFHP-NQIIRXRSSA-N 427.504 5.769 30 20 IKED COc1cccc(NCc2nnc(S[C@@H](C)c3ccc(C#N)cc3)n2C2CCCCC2)c1 609813771 PISHJNZGTDIRIH-SFHVURJKSA-N 447.608 6.129 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccccc2OCC2CC2)cc1 610093497 IIEGSQFGQYISAT-UHFFFAOYSA-N 441.531 5.442 30 20 IKED N#CCN1CCC(NC(=O)c2cccc(CSc3c(Cl)cccc3Cl)c2)CC1 610179843 MNMMDHUYNXPIJP-UHFFFAOYSA-N 434.392 5.003 30 20 IKED C[C@@H]1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C[C@H](c2ccc(F)cc2)O1 610206187 YKSQCDKJWOTVHP-HOYKHHGWSA-N 446.547 5.592 30 20 IKED C[C@H]1Cc2ccccc2N1C1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 610330980 ZUSDYOHIWQGSIC-HNNXBMFYSA-N 428.458 5.025 30 20 IKED CCOC(=O)c1c(CN[C@H](C)c2cccc(C#N)c2)nc2ccccc2c1-c1ccccc1 610343695 OHRJJKGAMWIUSH-LJQANCHMSA-N 435.527 5.801 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 618757196 WBMNSRVBGJXGQC-LJQANCHMSA-N 438.409 5.573 30 20 IKED C[C@]1(C#N)CCCN(c2nnc(Cc3ccc4ccccc4c3)n2Cc2cccs2)C1 619854364 HSLVQIBDPAPIID-RUZDIDTESA-N 427.577 5.262 30 20 IKED N#Cc1ccsc1NC(=O)CSc1ccc2c3c(cccc13)C(=O)c1ccccc1-2 641877124 YLJDURDTGMZGEJ-UHFFFAOYSA-N 426.522 5.715 30 20 IKED COc1ccc(-c2ccc(C(=O)N3C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C3)c(F)c2)cc1 674445757 VEPYQWSWGUQSBU-HZPDHXFCSA-N 435.339 5.314 30 20 IKED O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 674618004 GXVGYVIHIDTUBJ-KVSVUVNWSA-N 442.366 5.564 30 20 IKED Cc1nc(-c2ccccc2NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)no1 726073588 JUQDGCPSVXCECT-UHFFFAOYSA-N 441.466 5.290 30 20 IKED COc1cc(/C=C\C(=O)c2sc(-c3ccc(F)cc3)nc2C)c([N+](=O)[O-])cc1OC 727267363 IBAXAIOOUVROSV-TWGQIWQCSA-N 428.441 5.079 30 20 IKED CC(C)(C)OC(=O)NCc1cccc(NC(=O)c2occc2COc2cccc(C#N)c2)c1 727867760 MUWGFARDOKISLL-UHFFFAOYSA-N 447.491 5.007 30 20 IKED Cc1ccccc1-c1ccc(CN(C(=O)NCc2ccc(OCC#N)cc2)C(C)C)s1 727942041 QTJSIRRQPLBOIB-UHFFFAOYSA-N 433.577 5.746 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)/C=C/c3cc(OC)c(OC)cc3OC)s2)cc1 727974930 OEFSILJOUHEBDU-DHZHZOJOSA-N 425.506 5.049 30 20 IKED C#Cc1cccc(N(CC)C(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)c1 728479015 BHDIWWQRJLCKIJ-UHFFFAOYSA-N 440.927 5.749 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 729319876 PPUZPBCYCOPSRR-FPOVZHCZSA-N 439.943 5.333 30 20 IKED CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 731061735 GTDXCHZPVMFUTG-ZDUSSCGKSA-N 434.970 5.109 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)C1(c2cccc(F)c2)CCCC1 731069628 CMURCTSOSNCVII-QGZVFWFLSA-N 440.540 5.071 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)C1CCCCC1 731124312 GJIGAJFOGOFMIK-FDDCHVKYSA-N 435.593 5.315 30 20 IKED CCN(C(=O)Cc1ccc(OCC#N)cc1)[C@H](c1ccc(C(C)C)cc1)c1cccnc1 732961927 FULANJFOSQKCSL-HHHXNRCGSA-N 427.548 5.288 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OC 733614666 LEBKEDJUMMJGHX-AWEZNQCLSA-N 441.837 5.370 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 733625284 RLALGLSUMCDSLT-UHFFFAOYSA-N 444.491 5.544 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c1 733805723 DMADRWAVKPCZAD-UWJYYQICSA-N 432.351 5.721 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Oc3cccc(NC(=O)c4ccco4)c3)c2)c1 734330245 ILXRUMKPNMLGJY-UHFFFAOYSA-N 438.439 5.202 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc(N3CCOC3=O)cc2)c1 735038225 WJPUDDWOBABNQG-UHFFFAOYSA-N 433.851 5.213 30 20 IKED CCO[C@@H](C)c1nc(COC(=O)c2ccccc2SCc2ccc(C#N)cc2)cs1 736730751 RYNFLSOJQAXUSF-INIZCTEOSA-N 438.574 5.762 30 20 IKED CCN(CC)C(=O)c1ccc(OC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 741598706 SEWMKEQVJFVRNX-UHFFFAOYSA-N 428.488 5.246 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2(c3cccc(F)c3)CCOCC2)cc1 743095926 NJMZDKARUJKCAH-XMMPIXPASA-N 429.495 5.309 30 20 IKED COc1ccc([C@@H](NC(=O)NCc2ccc(OCC#N)cc2)c2ccccc2Cl)c(C)c1 743583241 OXWZFDKTQKROFT-XMMPIXPASA-N 449.938 5.148 30 20 IKED Cc1c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cccc1N1CCOC1=O 743786709 OPKMGQVPJNRBRH-UHFFFAOYSA-N 427.460 5.062 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 744371251 OYDNYCJMTFECBI-UHFFFAOYSA-N 436.796 5.175 30 20 IKED C[C@@H](ON=CC(=O)Nc1ccccc1Cl)c1nc(-c2cccc(C(F)(F)F)c2)no1 744445155 JYLTXNQWWHPVEQ-LLVKDONJSA-N 438.793 5.111 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1ccc2ccccc2n1 747112169 VUUYIEJIXWEMKE-QGZVFWFLSA-N 438.339 6.084 30 20 IKED CCc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OCCCC#N)c3)SC2=S)cc1 747473136 SRCNYFUOROWLAY-RCCKNPSSSA-N 438.574 5.346 30 20 IKED Cc1ccnc(C2CCN(C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)CC2)n1 754465592 PKBKAQNUPKPIFZ-UHFFFAOYSA-N 432.911 5.122 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(C2CC2)[C@@H](C)c2ccc3ccccc3c2)c1 754919870 KRGYDUXZVXMKKQ-UQBPGWFLSA-N 427.548 5.956 30 20 IKED Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccc(F)cc3OCC#N)cccc2c1=O 760793068 VNTVGFZYZPSHKQ-UHFFFAOYSA-N 428.419 5.062 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1oc2ccccc2c1CSc1cccs1 760793071 VQGSVBFMXKALPG-UHFFFAOYSA-N 438.505 6.080 30 20 IKED Cc1ccc(N2C[C@@H](C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)CCC2=O)cc1C 760970579 UMTJIRRTKGKCCD-PZJWPPBQSA-N 429.545 5.046 30 20 IKED C[C@@H](OC(=O)CSc1ccc(C#N)cc1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 761147065 PCZZITWDZFSCRV-LLVKDONJSA-N 434.304 5.312 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)Nc3ccccc3-c3nc4ccccc4s3)CCO2)c1 761821188 SFDXLHWSOSCDSZ-JOCHJYFZSA-N 440.528 5.440 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1c(Cl)cc(F)cc1Cl 763541448 OUEWUYRIIIKXJS-NSHDSACASA-N 441.311 5.180 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1 765791876 MAABAOJNYSNCLV-KRWDZBQOSA-N 431.602 5.304 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(N2C(=O)CN(CCc3ccccc3)C2=O)cc1Cl 771818807 ONOCXMYQHZBEBI-QFIPXVFZSA-N 429.907 5.007 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(NC(=O)OC(C)(C)C)c(C)c2)cc1 772554078 LXHAUWLYGOEGLI-KKSFZXQISA-N 449.551 5.817 30 20 IKED N#CCc1ccc(COC(=O)c2ccccc2NC(=O)c2ccccc2Br)cc1 776112597 JUWUMCMWXGHOJB-UHFFFAOYSA-N 449.304 5.124 30 20 IKED CC(C)(C)OC(=O)N1CCc2cc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)ccc21 777311511 KWGVGPOGEPYIPB-MRXNPFEDSA-N 437.496 5.223 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CCCC[C@H]2C(=O)N2c3ccccc3C[C@@H]2C)n1 780402097 IEQOOCZMEOTQIX-MTFMMBMASA-N 435.593 5.227 30 20 IKED CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)co1 780455006 OLEUDLSYUKOSHG-UHFFFAOYSA-N 433.464 5.221 30 20 IKED N#C[C@H](C(=O)CC1CCC(C(F)(F)F)CC1)C(=O)Nc1ccccc1Oc1ccccc1 783353754 ZPGBQVIKEREQAQ-FAFZWHIHSA-N 444.453 5.885 30 20 IKED N#Cc1ccc(F)cc1COC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 787829555 CTARIUVLLKQAHJ-UHFFFAOYSA-N 434.254 5.120 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1Br 793123673 IXEOTAJPZXSWKJ-NSHDSACASA-N 426.097 5.026 30 20 IKED O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 794087955 ORMCVFDXYGKQTP-UHFFFAOYSA-N 441.306 5.039 30 20 IKED CC(C)(C(=O)[C@H](C#N)c1ccc2ccccc2n1)c1csc(-c2c(F)cccc2F)n1 796715990 UYYACWSZFLEMFM-OAHLLOKOSA-N 433.483 5.791 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)s1 797570567 HURATRATYYSEKF-CYBMUJFWSA-N 425.432 5.041 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@@H]3C[C@@H](O)c3ccc(F)cc3)cc2)ccn1 810281141 YCRVEVLPCUZZPU-ZJSXRUAMSA-N 446.482 5.005 30 20 IKED N#C[C@H](C(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1)c1nc2ccccc2s1 815899264 KRKQPHDDOMVCSZ-MRXNPFEDSA-N 436.924 5.184 30 20 IKED N#Cc1cc(C(=O)O[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cnc1C(F)(F)F 815967799 NBHUHXVOZJGPCD-ZDUSSCGKSA-N 442.237 5.451 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102738 FYAVWJWKANKECE-PXAZEXFGSA-N 442.327 5.632 30 20 IKED COc1cc(C)c(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC 915354175 WPOQGICURIGOLE-HSZRJFAPSA-N 429.520 5.332 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)c2[nH]c3ccccc3c2Cl)n(C2CCCC2)c1C 915431860 GNPLZTHELMZJNK-UHFFFAOYSA-N 438.915 5.022 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C=C/c1ccc2cc(OC)ccc2c1 916904088 VYJHFKWEUHKVLW-ZXFWNXIDSA-N 426.516 5.334 30 20 IKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(Oc2ccc(F)cc2)cc1 916940114 RZAYHTBFUPBBFS-SFHVURJKSA-N 426.806 5.372 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1 916946979 CEUZEESGSTVNJR-AOMKIAJQSA-N 428.488 5.624 30 20 IKED COc1ccc(-c2nc(/C=C\C(=O)c3ccc(OCc4nccn4C)cc3)cs2)cc1 917517616 JPGVNMKIVALGAU-GHXNOFRVSA-N 431.517 5.027 30 20 IKED COc1cccc(-c2nc(/C=C3/SC(=S)N(c4ccccc4C#N)C3=O)cs2)c1 917644482 FZIBZYDCKALGCP-VCHYOVAHSA-N 435.555 5.096 30 20 IKED Cc1ccccc1C1(C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)CCOCC1 920673166 WORSMBJBLLUYIC-UHFFFAOYSA-N 439.555 5.486 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)CC[C@H]4CNc5ccccc5C4)CCC3)cc2)C1 1785807435 PZBUXRDNTAWCDZ-HXUWFJFHSA-N 443.591 5.151 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccccc4C(F)(F)F)CCC3)cc2)C1 1785808058 JYDTZHRYURFMLU-UHFFFAOYSA-N 428.454 5.419 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc4c(c3)CCO4)CCC2)cc1 1789457933 HJBZHNWRBCTBRX-DEOSSOPVSA-N 444.575 5.067 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C4CC4)cc3)CCC2)cc1 1790566953 FLVHZWMQBFOXHQ-SFHVURJKSA-N 433.552 5.113 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@H](C(C)C)CC3)CCC2)cc1 1790570079 RHGLTXTVGPVTOS-NJDAHSKKSA-N 441.616 5.384 30 20 IKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3c(F)cc(Cl)cc3Cl)cc2)CCC1 1790720780 DGAIOYNKLSPMAU-UHFFFAOYSA-N 434.298 5.184 30 20 IKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2cccc(Cl)c2)CCCC1 1802189593 QDQPLJRQPIFRSF-HLRQEUIKSA-N 429.004 5.002 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)cc2)[C@H]1c1cccnc1 1811907578 NBGAFIQZHOYIAF-RBBKRZOGSA-N 439.987 5.047 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccsc2)[nH]n1 1819554143 HNAGRSQXZYAYDM-LJQANCHMSA-N 428.602 5.089 30 20 IKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](c2ccccc2)C(C)C)CC1 1824237191 ZHHXXBYEFCIDJX-SMIHKQSGSA-N 444.685 5.000 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccsc3[nH]2)CC1 1829068565 DTIPXGBPSMLDGW-OAQYLSRUSA-N 441.641 5.455 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(C(C)C)cc1)[n+]1ccc(N(C)C)cc1 10174359 GOLBXYBYARITII-UHFFFAOYSA-O 446.640 5.777 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(OC)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 15247803 HMXKOGQYJWVKBI-UHFFFAOYSA-O 447.624 5.894 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)nnc1-c1ccccc1 21755418 PZOOSONEJVZSEH-HNNXBMFYSA-N 444.963 5.063 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Oc2ccc(C3SCCS3)cc2OC)cc1OC 23299503 BESXEPGNDUKNCI-UXBLZVDNSA-N 444.574 5.366 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2ccc(OC(F)F)cc2)c1 28781020 MIUAVFPXQBUYRH-UHFFFAOYSA-O 441.523 5.552 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)c2C#N)C1 57759368 MEIKCOKTHANXTF-LLVKDONJSA-N 444.969 5.179 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccc(C)cc4C)n3)n2)cc1 58029053 NZYVOCKIOXDAIJ-LJQANCHMSA-N 445.569 6.049 30 20 IKED O=C(/C=C/C1=Cc2cc(Cl)cc(Cl)c2OC1)c1ccc(N2CCC(O)CC2)cc1 97572465 VYXLYMUDECPYNO-LZCJLJQNSA-N 430.331 5.169 30 20 IKED CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccccc2-c2ccccc2C#N)c1 116519776 RQFFPNCZZQCCQT-UHFFFAOYSA-N 431.923 5.611 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2cc3ccccc3o2)nnc1-c1cccc(C)c1 195678420 YJXHWKQIEYCISG-GOSISDBHSA-N 446.576 5.497 30 20 IKED C[C@@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1nc(-c2ccncc2)cs1 261472584 JUNGUPXTZVQQBR-QGZVFWFLSA-N 440.528 5.147 30 20 IKED C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 303504772 MZAPHYLGZIVION-MRXNPFEDSA-N 438.886 5.530 30 20 IKED Cc1sc(CCNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)nc1-c1ccccc1 409677979 JREAPPTWLLBTGB-UHFFFAOYSA-N 440.528 5.150 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nc(Cc2ccccc2)no1 429057099 WLRBGCKMXOLNHM-QGZVFWFLSA-N 439.475 5.207 30 20 IKED N#Cc1ccc(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)c(Cl)c1 430352136 HEUYLPUNRYLTCE-UHFFFAOYSA-N 428.673 5.414 30 20 IKED N#CCCC[C@@H](NC(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccccc1 431807774 AFFHXHFAJFVWHN-XMMPIXPASA-N 444.510 5.312 30 20 IKED CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 432079654 ULZLAFPQHCOYJB-DEOSSOPVSA-N 443.551 5.421 30 20 IKED CC(C)(CNC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccc(Cl)c(Cl)c1 432533130 ZBUWWDXZJLWPFA-UHFFFAOYSA-N 432.351 5.068 30 20 IKED CC[C@@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 435595636 CIGBIOZLYCQGSV-HSZRJFAPSA-N 447.510 5.081 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)cc2)cc1 436311853 XZRAJHTZTYTXKR-UHFFFAOYSA-N 449.441 5.737 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 437810659 MKRUEIWLLNZKKU-BJKOFHAPSA-N 430.552 5.006 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1ccn(-c2ccccc2F)n1 438306721 QESFVRQEBXBJFS-INIZCTEOSA-N 440.569 5.135 30 20 IKED COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 438651574 SSZZARQIGOOVMP-HNNXBMFYSA-N 435.455 5.390 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ncoc3-c3ccccc3Cl)n2)cc1 442856443 DMZFQOCLGREGJW-INIZCTEOSA-N 435.892 5.617 30 20 IKED CCc1ccc(-c2noc([C@@H](C)NC(=O)c3cn(CCCC#N)c4ccccc34)n2)cc1 444273843 UMQNDBMLLIRZJG-QGZVFWFLSA-N 427.508 5.048 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1F 445002995 BSVQJVYTNJXGIF-UHFFFAOYSA-N 449.441 5.737 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(C)nc2C)nnc1-c1ccc(Cl)cc1Cl 446418302 GRJUASZLCANFPX-UHFFFAOYSA-N 448.379 5.181 30 20 IKED CCc1ccc(Cl)c(CC)c1NC(=O)CCCN1CCC[C@]2(CCCCO2)[C@@H]1C#N 447925214 YFPSJAROYRXCHF-XUZZJYLKSA-N 432.008 5.111 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(c2ccc(O)cc2)CC1 460781764 GWUNWQNZHVTOLJ-GOSISDBHSA-N 436.531 5.223 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2c(F)cc(C(F)(F)F)cc2F)cc1 463459680 AFYJPWQVQUVYHB-UHFFFAOYSA-N 446.375 5.881 30 20 IKED CC(C)(C)Cc1nc(-c2ccc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)cc2)no1 464414395 JYAATJJMWAJRRC-MRXNPFEDSA-N 428.414 5.229 30 20 IKED C=CCOc1c(Br)cc(CN[C@H]2CCOc3ccc(OC)cc32)cc1OCC 466466669 QUNAJFRVBWKIPD-IBGZPJMESA-N 448.357 5.035 30 20 IKED CC[C@@H]1Oc2cc([C@@H](C)NC(=O)Nc3ccccc3S[C@H](C)CC#N)ccc2NC1=O 467704452 FMULTKIYLQCMJR-CLCXKQKWSA-N 438.553 5.073 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCc2nnc(-c3ccccc3)s2)c1 470164217 SKTXBXRMRQNAMN-UHFFFAOYSA-N 446.919 5.452 30 20 IKED C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 470553045 HRPZUQVTGHYBMK-GAJHUEQPSA-N 434.515 5.024 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1C#N 470749684 QRMDUEIKMXVNMW-INIZCTEOSA-N 428.517 5.025 30 20 IKED N#Cc1cc(NC(=O)c2c[nH]nc2-c2ccncc2)ccc1Oc1ccc(C(F)(F)F)cc1 472080147 LCQAAKWSQUGVDH-UHFFFAOYSA-N 449.392 5.407 30 20 IKED COc1ccc(CCN(Cc2ccsc2)C(=O)c2ccc(C(C)(C)C#N)cc2)cc1OC 476232355 NHWBKBOKKWACPA-UHFFFAOYSA-N 448.588 5.452 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2c(-c3ccc(C(F)(F)F)cc3)noc2C)cc1 478590204 VMCNQBOJCKLEGJ-UHFFFAOYSA-N 444.413 5.229 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CSCc1ccc(OCc2ccccc2F)nc1 478670977 DFGUNCMRWVSANR-UHFFFAOYSA-N 441.915 5.197 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(CCN2CCCC[C@H]2C)CC1 478792221 ZYSIZOVOUWHHIA-VQTJNVASSA-N 428.646 5.447 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccccc1CN1CCCC[C@@H]1C 478842628 XRROLKFGBONNQZ-QFIPXVFZSA-N 437.632 5.126 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 479192849 RIDILINRTNBXCW-ATIQYGATSA-N 445.485 5.670 30 20 IKED N#Cc1cc(Cl)ccc1CSc1nnc(COc2ccccc2Cl)n1C1CC1 479229160 XOKVZODPKUSNIE-UHFFFAOYSA-N 431.348 5.663 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CC=C(c4ccc(F)cc4)CC3)cc2F)c1 481624004 KRFIOOFQNJOSHC-UHFFFAOYSA-N 445.469 5.737 30 20 IKED CCS[C@@H](C)c1noc(CN(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)n1 483330477 LJOXUQANJCTPAG-HNNXBMFYSA-N 437.525 5.212 30 20 IKED COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1SC 483474911 YFXUYHQXDCDEOV-UHFFFAOYSA-N 435.461 5.242 30 20 IKED CN(CCC(F)(F)F)C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 483641513 JTXLIZWTGPQPIS-GNVUBMPBSA-N 439.362 5.520 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)c1ccc(OC(F)(F)F)cc1 484896491 SZUUMMVSFVUXRA-GJZGRUSLSA-N 437.487 5.126 30 20 IKED CCC1CCC(N(CCO)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 486263176 ZEFYOPKXSKMPSX-UHFFFAOYSA-N 435.568 5.127 30 20 IKED C=CCOc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccccc4OC)cs3)C2)cc1 487243183 HXKCJCHPJNOQNE-LJQANCHMSA-N 434.561 5.403 30 20 IKED Cc1occc1-c1nnc(SCc2ccccc2C(C)(C)C#N)n1Cc1ccccc1 488031677 LRPUFZQCUMLGGF-UHFFFAOYSA-N 428.561 5.988 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)c1nc(-c2cccs2)no1 489679421 YFJJWCPRCWHAHF-OAHLLOKOSA-N 439.566 5.316 30 20 IKED N#Cc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c(Cl)c1 494577265 CMJPSVZHLPAADS-NRFANRHFSA-N 438.314 5.365 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](C)c1sc(-c2ccccc2)nc1C 495625800 RBPWSKUTGUTJHS-AEFFLSMTSA-N 425.623 5.434 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)o1 504715931 JILWLLNPCMBDQV-UHFFFAOYSA-N 445.862 5.823 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3-c3nc(C(C)C)no3)n2)cc1 505433863 JVWSFEDORHSJBL-IBGZPJMESA-N 428.517 5.782 30 20 IKED N#C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 505448476 AKRGCNVHBXYECK-CYBMUJFWSA-N 433.276 5.271 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OCc4csc(C)n4)c3)n2)cc1 509535092 DGFWRRFAPFPXQE-NRFANRHFSA-N 445.569 5.953 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)N[C@@H](c3ccccc3)c3ccc(F)cc3)CC2)cc1 509760091 FLJWMDLBODWMQG-VWLOTQADSA-N 429.495 5.040 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)NCCCSc3ccccc3)s2)cc1 510238219 GSHIIOUKOSLIOL-UHFFFAOYSA-N 441.607 5.006 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 510268063 MXIADLMKAXUYRY-UHFFFAOYSA-N 447.494 6.164 30 20 IKED C=CCOc1ccccc1CN(C(=O)C[C@H](C)c1c(C)noc1C)c1ccc2c(c1)OCO2 513773925 SFJFVALBXKNNQT-KRWDZBQOSA-N 448.519 5.312 30 20 IKED Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c12 514544412 JPBMFYMRVOHMDC-FQEVSTJZSA-N 442.906 5.970 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)COc3cccc(C(F)(F)F)c3)c2)cc1 516526741 SHRQAJGMKDCLKU-UHFFFAOYSA-N 440.421 5.368 30 20 IKED Cc1nc(CSc2ccc(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)cc2)cs1 517343399 BFEMXLDOORNJDA-SFHVURJKSA-N 448.400 6.045 30 20 IKED COc1ccc(OC2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)cc1 517679349 WBDXSVFGAUEPTQ-UHFFFAOYSA-N 443.503 5.434 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H](OCC(F)(F)F)C1 517773798 XDMFUURAUNSYTB-IBGZPJMESA-N 433.430 5.234 30 20 IKED CC(C)c1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cs2)cc1 517891181 JFEWMEWKOJOWHW-SFHVURJKSA-N 430.558 5.942 30 20 IKED Cc1cccc(N(CCC#N)C(=O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])c1C 518657165 HMQVBLDFLMMIIQ-UHFFFAOYSA-N 429.476 5.204 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCCSc1ccc(Br)cc1 518662795 QQXCKACYVCQDNL-HNNXBMFYSA-N 449.439 6.212 30 20 IKED CN(C(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1)C1(C#N)CCC1 519148167 ZHCPMZFHFTTXBZ-UHFFFAOYSA-N 431.348 5.426 30 20 IKED CCN(C(=O)c1cnn(-c2cccc(Br)c2)c1C)[C@H](C)c1ccc(C#N)cc1 520680347 JPHHFIKEJSHQNZ-OAHLLOKOSA-N 437.341 5.038 30 20 IKED Cc1nc2cc(C(=O)Nc3ccccc3SC[C@H](C)C#N)ccc2n1-c1ccccc1 520829936 ZULDJLKONGXUBG-QGZVFWFLSA-N 426.545 5.838 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCCC[C@@H]3c3cc4ccccc4[nH]3)s2)cc1 521258430 VUHLIMZXDLZGSZ-HSZRJFAPSA-N 441.560 5.846 30 20 IKED C=CCOc1c(Br)cc(CNCc2ccccc2Br)cc1OC 521834283 YPAYTENMIXPPMW-UHFFFAOYSA-N 441.163 5.075 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c(OC)c1 523970633 UIJYLMXLQPUWII-CLYVBNDRSA-N 445.563 5.373 30 20 IKED CN1CCC[C@@H](CNc2nc(C(F)(F)F)ccc2C#N)[C@H]1c1ccc(C(F)(F)F)cc1 524230799 QIUGPEHEMBHROA-MAUKXSAKSA-N 442.407 5.486 30 20 IKED CCN(Cc1ccc2ccccc2c1)C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 524563481 RBAPLKKTGMISDC-GOSISDBHSA-N 431.561 5.079 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCc2c(Br)cccc21 524566666 XXGBQYVXSRNMBK-SUMWQHHRSA-N 430.371 5.510 30 20 IKED Cc1c(C#N)c(NC(=O)CCN[C@H](C)c2cc3ccccc3s2)n(Cc2ccco2)c1C 527194505 HDPNUJFYTXRWLS-QGZVFWFLSA-N 446.576 5.512 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 536817832 SGNOEYAQSMXMSK-NQIIRXRSSA-N 439.437 5.088 30 20 IKED C[C@@H](N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1)c1ccc(C#N)c(F)c1 537406965 IMZUMLCGJROGQK-CHWSQXEVSA-N 430.346 5.995 30 20 IKED Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 538107909 MPINQXQPIRCHSA-SFHVURJKSA-N 432.593 6.016 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CNC(C)(C)c1ccccc1Br 538226010 KGVRIWOQQYJUDN-HNNXBMFYSA-N 446.414 5.164 30 20 IKED Cc1cc(C(=O)Nc2ccccc2SCCC#N)nn1-c1ccc(Cl)c(Cl)c1 539623415 YPLCZTODEVJQES-UHFFFAOYSA-N 431.348 5.746 30 20 IKED CC[C@@H](C)c1ccc2nc(N(Cc3ccccc3)C(=O)[C@@H](C)n3cnc(C#N)n3)sc2c1 540602509 KPAJNPIBMVKBOA-IAGOWNOFSA-N 444.564 5.067 30 20 IKED CC(C)C(=O)Nc1ccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 541066005 XZNAKVRIVVEJQK-GOSISDBHSA-N 426.520 5.702 30 20 IKED COc1ccc([C@H]2CCCCCN2C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)cc1 541097638 BVUNKRYPNXBNJL-OAQYLSRUSA-N 433.487 5.041 30 20 IKED N#CCC1CCN(C(=O)NCc2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)CC1 542895189 ZWRWXFWJYKPTSP-UHFFFAOYSA-N 442.519 5.501 30 20 IKED Cc1noc(C2CCC(NC(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CC2)n1 543008723 DLXYIKQYWVYVIF-SGZOKEPCSA-N 429.524 5.003 30 20 IKED N#Cc1ccccc1OCc1nc(-c2ccccc2-c2ccc(Cn3cccn3)cc2)no1 545056949 YDXKIENNQSPMBQ-UHFFFAOYSA-N 433.471 5.099 30 20 IKED COc1cc(C#N)ccc1NC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 547417869 VNIJFRFGZRXBEY-UHFFFAOYSA-N 430.851 5.190 30 20 IKED C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(C#N)CC2)n1CCc1ccccc1 549178161 KKQWDHOMIIELAG-SFHVURJKSA-N 435.959 5.054 30 20 IKED C=CCOc1ccc(CNC2CCN(Cc3coc(-c4ccccc4)n3)CC2)cc1Cl 550632171 GFKGOCILWJNTQZ-UHFFFAOYSA-N 437.971 5.314 30 20 IKED N#C[C@H](NC(=O)CCSc1ccccc1Br)c1cccc(C(F)(F)F)c1 575943679 RHIFOUQRWGELJQ-HNNXBMFYSA-N 443.288 5.331 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1 589328096 ZSIGRLFBTPGVJP-IRLDBZIGSA-N 436.625 5.362 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)NC1(c2ccc(F)cc2)CCCC1 590855280 QMYZDYBCDHSWQX-KBPBESRZSA-N 440.403 5.804 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)Cc3csc(-c4cccc(F)c4)n3)cn2)c1 603622992 BSTHSXLBGCDKRE-UHFFFAOYSA-N 430.464 5.189 30 20 IKED C[S@@](=O)Cc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 603838762 JSZIKGOKIDPBPK-WVDZOPJMSA-N 449.384 5.485 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 603974716 LBXFKHSXANYKFI-UHFFFAOYSA-N 434.304 5.162 30 20 IKED C[C@@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 604082615 GJZOJKBWPMMQAH-CQSZACIVSA-N 436.874 5.486 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 608915189 HYGPLPAJTSKWLW-UHFFFAOYSA-N 438.531 5.646 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3OCCc3ccccc3)o2)cc1 609057925 QVFSZHIWRCQFTL-UHFFFAOYSA-N 438.483 5.604 30 20 IKED C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 609104572 HXTWFUWFSQQRBD-OPAMFIHVSA-N 443.478 5.123 30 20 IKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 609306296 LTFOGWSEHWERPF-HFZDXXHNSA-N 444.506 5.730 30 20 IKED COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 609432531 WOJUPFINUDICQQ-QZTJIDSGSA-N 445.519 5.046 30 20 IKED N#Cc1ccc(CSCC(=O)N2CCC(c3nc(-c4ccccc4)cs3)CC2)cc1 609488412 HGSPLPOIQCDPOO-UHFFFAOYSA-N 433.602 5.321 30 20 IKED CCc1ccc(-c2nc(CC(=O)N[C@H](C#N)c3ccccc3Br)cs2)cc1 609590979 IFOWIJYLLXWUOO-LJQANCHMSA-N 440.366 5.059 30 20 IKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 609660835 CIXVBPPBBIUFEP-VPUSJEBWSA-N 440.543 5.377 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCC[C@@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)c1 609881178 ZCHLRSVWUVVMIB-HSZRJFAPSA-N 448.954 5.515 30 20 IKED CC[C@H](NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1cccc(Cl)c1 609937919 ISHGEHYUHNCUQX-QFIPXVFZSA-N 433.895 5.210 30 20 IKED Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1NC(=O)NC(C)(C)C 610124722 OBEQMKHGWXDCIT-UHFFFAOYSA-N 442.519 5.831 30 20 IKED CN1CCC[C@H](CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)[C@H]1c1cccs1 610180948 YCWKJBTULVXHRF-BWKNWUBXSA-N 445.588 5.419 30 20 IKED N#Cc1cc(Cl)c(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)c(Cl)c1 611093775 CJTBSYNAWWDWAZ-UHFFFAOYSA-N 448.313 5.043 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cnc(-c4ccc(F)c(F)c4)s3)cn2)cc1 611538269 GPJAWEQEQSTZOV-UHFFFAOYSA-N 434.427 5.400 30 20 IKED N#C[C@@H](C(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 612941780 XHRFUUAQVIUASS-UXHICEINSA-N 438.936 5.511 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)s2)cc1 613392507 WZDSDHPWQUISLI-IBGZPJMESA-N 445.569 6.131 30 20 IKED N#C[C@H](C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)c1nc2cc(Cl)ccc2s1 613407271 OIMRFKBUHVEZPI-LLVKDONJSA-N 447.829 5.039 30 20 IKED O=C([C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618300784 FISTZQNBSFMLGZ-YRRQLQLVSA-N 433.314 5.398 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 672649242 ADSFPOIXAKLBHA-UHFFFAOYSA-N 437.588 5.137 30 20 IKED Fc1cc2ncnc(N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2cc1Br 680830095 HPYMXHVDGQAZDZ-OCAPTIKFSA-N 446.164 5.099 30 20 IKED CC(C)Oc1cccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 726104735 WDECSTYEVKJKTH-UHFFFAOYSA-N 431.511 5.397 30 20 IKED N#Cc1ccc(NC(=S)/C(=C(/O)c2cc(F)ccc2F)[n+]2ccccc2)cc1Cl 726570846 LZSUYKVJYFRADS-UHFFFAOYSA-O 428.871 5.101 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2sc3ccccc3c2C)[n+]2ccc(C)cc2)c1 726573198 QHSOLAVJKROELE-UHFFFAOYSA-O 441.601 6.110 30 20 IKED Cc1sc2nc(/C(Cl)=C/c3ccc(O[C@@H](C)C#N)cc3)nc(O)c2c1-c1ccccc1 727744098 JTKZXELYPMOSDM-YQNUULROSA-N 447.947 6.400 30 20 IKED Cc1nc(CC(C)C)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 727954120 WNVOVRPSZSBGQG-GOSISDBHSA-N 433.533 5.404 30 20 IKED N#C[C@@H](C(=O)Cc1cccc(OCc2ccccc2Cl)c1)c1ccc2ccccc2n1 730071482 NJEODRYCWNTYGZ-JOCHJYFZSA-N 426.903 5.886 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1nc2cc(F)ccc2s1 730420214 BKNXRCPVTVNXDI-LLVKDONJSA-N 433.942 5.693 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cn1c(SC(F)F)nc2ccccc21 731349785 RUQYXAHEQPAUIZ-CYBMUJFWSA-N 432.521 5.384 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](CC(F)(F)F)c1ccc(Br)cc1 731993369 DWFDJUDUHOLZRO-SJCJKPOMSA-N 442.231 5.325 30 20 IKED Cc1sc2ncn(N=Cc3c(Cl)cccc3OC(F)F)c(=O)c2c1-c1ccccc1 732923569 FIRYGGCIIGHOLT-UHFFFAOYSA-N 445.878 5.570 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccccc2N(C)c2ccccc2)ccc1OC 733230716 SDAQIKQKADVKSZ-NRFANRHFSA-N 429.520 5.074 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(Oc3cccc(F)c3)cc2)ccc1OC 733626764 UCEPRKDXPYUPCF-FQEVSTJZSA-N 449.482 5.629 30 20 IKED COc1ccc(-c2nn(CN(CC#N)C3CCCC3)c(=S)n2CCc2ccccc2)cc1 738256037 GEMTZDHKQXXHHH-UHFFFAOYSA-N 447.608 5.058 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)C2(Cc3cccc(Cl)c3)CCCC2)ccc1OC 741563448 QQFASZHQHSLOIT-NRFANRHFSA-N 440.971 5.449 30 20 IKED N#CCOc1ccc(CNC(=O)c2ccc(F)cc2-c2ccc(Cl)c(Cl)c2)cc1 741684015 QOFOFAQZVCWBCK-UHFFFAOYSA-N 429.278 5.632 30 20 IKED N#C[C@@H](NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1)c1cccc(Cl)c1Cl 742651642 QGWAMCPXJMBZOM-CQSZACIVSA-N 446.212 5.099 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 742799884 DVMMHQRZQLPXHM-IBGZPJMESA-N 447.485 5.225 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cccc(Cl)c2C(N)=O)c1 742832201 FEYLPWCDNRKQQK-UHFFFAOYSA-N 426.259 5.009 30 20 IKED N#Cc1ccc(NC(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc1C(F)(F)F 743216645 YXAYFDNAKYLEEM-IBGZPJMESA-N 437.849 5.208 30 20 IKED C[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1nc(-c2cccc(F)c2)no1 743623659 ANRYHPDLOMTPIL-AWEZNQCLSA-N 447.495 5.036 30 20 IKED C#CCN(Cc1ccc(F)cc1)Cn1nc(-c2cccnc2)n(-c2ccccc2C)c1=S 744146561 RPMKKODAMVHECE-UHFFFAOYSA-N 443.551 5.006 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1Cl 747108589 IHDWQUNOPNILLL-GWCFXTLKSA-N 425.699 5.106 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(c3ccc(F)cc3)CC2)cc1 752649389 NTLAEXXFUDJTQF-UHFFFAOYSA-N 443.522 5.882 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H](C)c1ccc2ccccc2c1 753522338 YRACJRZGFNNAGP-QZTJIDSGSA-N 432.545 5.519 30 20 IKED C=CCn1c(SCC(=O)O[C@@H](C)c2ccncc2)nnc1-c1ccc(Cl)cc1Cl 757662594 HKNZXNRWQADLGG-ZDUSSCGKSA-N 449.363 5.229 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNCc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)c1 759820599 DTEFFFJPWWFJEG-QFIPXVFZSA-N 432.568 5.284 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)Nc3ccccc3-c3nc4ccccc4s3)CCO2)c1 761821196 SFDXLHWSOSCDSZ-QFIPXVFZSA-N 440.528 5.440 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1 767869726 ZVNCCEMICUWZQW-GOSISDBHSA-N 446.551 5.465 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(SC(F)F)cc3)o2)cc1 768460541 FJHYEPLRAZVIRE-UHFFFAOYSA-N 449.504 5.347 30 20 IKED CC(C)(C)OC(=O)N1CCc2cc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)ccc21 776880474 BBLDNGNELSHABI-QGZVFWFLSA-N 446.334 5.286 30 20 IKED COc1cccc([C@@H](NC(=O)Nc2ccccc2O[C@@H](C)C#N)c2ccccc2Cl)c1 780672418 DLZMOGKNTKZHGU-QMHKHESXSA-N 435.911 5.551 30 20 IKED CCCOc1ccccc1Oc1ncccc1CNC(=O)Nc1ccccc1O[C@H](C)C#N 780677846 NXFIPKVKDNHGNJ-GOSISDBHSA-N 446.507 5.275 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(-c2ccc(Br)s2)s1 782435170 OQLCMYFJOSAXKJ-NSHDSACASA-N 433.352 5.782 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2cccc(Oc3ccccc3)c2)cc1 782831025 OXWVSNIVHJHENK-SANMLTNESA-N 447.494 5.712 30 20 IKED CC[C@@H](C)Oc1cccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 783391873 AQHMKFLZIMRQCJ-KOSHJBKYSA-N 427.504 5.097 30 20 IKED Cc1c(C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cnc2ccccc12 787053320 QJWMEVXIAUIURC-SUMWQHHRSA-N 426.303 5.050 30 20 IKED Cc1cc([C@@H](CC(=O)O[C@H](C)c2ccc(C#N)cc2)NC(=O)OC(C)(C)C)cc(Cl)n1 788373868 YNGLKEFTZPMDCA-DNVCBOLYSA-N 443.931 5.175 30 20 IKED C#C[C@H](CCC)N1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccsc1 790747857 HCDPQNMWOOAGHL-UYAOXDASSA-N 439.606 5.127 30 20 IKED Cc1cc(Cl)nc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 800523972 AFIYFKAFKQQTDF-LJQANCHMSA-N 425.319 5.674 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 802560736 JCZVNLWUZBLUPZ-IRLDBZIGSA-N 437.975 5.174 30 20 IKED C#CC[C@H](Cc1ccccc1)NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 804452100 BRHCRDPLLPGQPB-GOSISDBHSA-N 436.964 5.327 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(-c2ccncc2)nc2ccccc12 804559702 DVHKPXLSUZDGCZ-UHFFFAOYSA-N 425.536 5.293 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1 806264835 HYMRBUCDHQNKTP-YKSBVNFPSA-N 445.588 5.849 30 20 IKED C=CCN(C(=O)COCc1ccccn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 808036984 HTYSKLROQUHISK-UHFFFAOYSA-N 434.348 5.248 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1 915104291 OJFKRSSWWMBHON-MRXNPFEDSA-N 440.450 5.197 30 20 IKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CC1 916214851 BUWHHKLCWSHICR-GOSISDBHSA-N 447.482 5.137 30 20 IKED Cn1c([C@H](C#N)C(=O)/C(=C\c2ccc(Cl)cc2)c2ccc(F)cc2)nc2ccccc21 916627361 PELOPCOLRYKCMI-OKPNHQCWSA-N 429.882 5.783 30 20 IKED N#C[C@H](C(=O)CCCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1 916904469 DLWIJVKLOIDCTC-JOCHJYFZSA-N 437.499 5.630 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(C(C)(C)C)cc2)cs1 917561691 KOIBAVPHVZGCDR-KAMYIIQDSA-N 438.980 6.675 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 918034512 RMDKBKKVMGEEPY-ZEQKJWHPSA-N 439.515 5.386 30 20 IKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4c(Cl)cncc4s3)cc2)CCC1 1788311894 AYYCOGMGNCDRJH-LBPRGKRZSA-N 445.997 5.016 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1798340365 VVQRMJJLHIUXAO-BIGMCNFVSA-N 445.607 5.114 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)cc(C)c2)[C@H]1c1cccnc1 1811878799 SSKMBSOVEZQTFQ-ISKFKSNPSA-N 433.596 5.010 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C)c(F)c2F)[nH]n1 1814830364 YBJQDBYKLVAJGY-LJQANCHMSA-N 442.510 5.071 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2OCC)n[nH]1 1820449979 CSHOAIKFZAOLOU-HXUWFJFHSA-N 438.572 5.107 30 20 IKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2-c2ccc(C)cc2)[nH]n1 1822401524 UAURBKQCPYFGRJ-QHCPKHFHSA-N 428.536 5.267 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c4cccc(Cl)c34)CC2)C1 1823700143 GYSYOFNLPYRRKL-QFIPXVFZSA-N 439.987 5.021 30 20 IKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cc3ccc(F)cc3)cc2)CC1 1830458941 ZWHCKQUFAYIJBL-AREMUKBSSA-N 448.582 5.226 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)c2cccs2)CC1 1832142832 BZRFCBSEHWMIOB-KSEOMHKRSA-N 428.642 5.240 30 20 IKED Cc1cccc(C)c1N/C(S)=C(\C(=O)c1ccc(C(C)C)cc1)[n+]1ccc(N(C)C)cc1 11153618 UIOYBMKSWKTWAK-UHFFFAOYSA-O 446.640 5.831 30 20 IKED CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)Nc1ccc(CC#N)cc1 15499524 RHEZALXTFWQYOD-INIZCTEOSA-N 433.533 5.097 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1SCc1cccs1 21143945 MQXHYDXQANCQLW-UHFFFAOYSA-N 431.504 5.841 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)nnc1-c1ccoc1C 21283936 SRRLXXQNTYQTQG-KRWDZBQOSA-N 438.597 5.201 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccccc2)cc1[N+](=O)[O-] 22800417 VKMPMIAVHYFERM-UHFFFAOYSA-O 444.895 5.034 30 20 IKED C=CCn1c(SCc2nc3ccccc3c(C)c2C(=O)OCC)nnc1-c1ccoc1C 30547576 CZIKVGQGWYQHPQ-UHFFFAOYSA-N 448.548 5.358 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1[nH]nc(C2CC2)c1Br 65109065 CNYFFTIXQQITLS-UHFFFAOYSA-N 437.297 5.274 30 20 IKED Cc1nc(SCC(=O)NCc2cccc(COCc3ccccc3)c2)c(C#N)c(C)c1C 71960889 BTBHFDYDVUTAFN-UHFFFAOYSA-N 445.588 5.004 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(OC)c(OC(F)F)c2)cc1 116552873 HTIJQRJXNCDHOC-UHFFFAOYSA-N 440.402 5.221 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 303959052 BJNLSJNHCDXYGB-FGZHOGPDSA-N 426.472 5.172 30 20 IKED N#Cc1c(NC(=O)c2cc(C(F)(F)F)ccc2Br)sc2c1CCCC2 327365736 JVQGKYXNQHSHOL-UHFFFAOYSA-N 429.261 5.532 30 20 IKED N#CCC[C@@H](NC(=O)N1CCC(c2ccc(Br)cc2)CC1)c1ccccc1 409739117 HTSPAWRSISOJKR-OAQYLSRUSA-N 426.358 5.383 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)ccc21 430599657 AVAPZWABQXVMDX-CYBMUJFWSA-N 434.487 5.880 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 431722318 LPXNWLMLAPADOV-MRXNPFEDSA-N 437.931 5.190 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 436350571 VZHVBAPRDOYCBW-UTKZUKDTSA-N 425.319 5.091 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CCc2cnn(-c3ccccc3)c2)cc1F 437501575 OMIYAOWCVJEAEG-UHFFFAOYSA-N 426.451 5.247 30 20 IKED C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccccc1Sc1ncnc2sc(C)c(C)c12 438461117 DMWHQUSOCXUSTL-OXJNMPFZSA-N 439.606 5.170 30 20 IKED CCCc1c(NC(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)cnn1-c1cccc(C#N)c1 439680660 LNVNNJHNNDDWOB-IBGZPJMESA-N 433.943 5.371 30 20 IKED Cc1ccccc1-c1ccc(CN(C(=O)C(=O)Nc2cccc(C)c2C#N)C(C)C)s1 442170649 GZUWKPKDMKOQGZ-UHFFFAOYSA-N 431.561 5.279 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccc(Cl)c(C(=O)NC)c1)c1ccc(C(F)(F)F)cc1 442202885 ZXCCMIKIGXZTCH-SFHVURJKSA-N 439.865 5.547 30 20 IKED N#C[C@H](C(=O)c1cccc(-c2noc(C3CC3)n2)c1)c1nc(-c2ccc(Cl)cc2)cs1 442694961 UONXFBCQICLYPL-GOSISDBHSA-N 446.919 5.881 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC(C)(C)Cc1ccc(C(F)(F)F)cc1 442784933 UTNNKZFXRRJKHW-INIZCTEOSA-N 449.542 5.649 30 20 IKED CC(C)c1nn(C)c2sc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc12 442868149 BPSJSHKWECJPDX-INIZCTEOSA-N 431.546 5.243 30 20 IKED Cc1ccc(OCc2nc(CC(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)cs2)cc1 443883206 KWYSJJLAZJCQKI-UHFFFAOYSA-N 431.439 5.102 30 20 IKED Cc1nc(NC(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)sc1SCC#N 445821848 YQHZIHNWTGKIFX-UHFFFAOYSA-N 437.575 5.234 30 20 IKED Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)c1c(F)cc(C#N)cc1F 446046315 SLUBNPKBRWDKKD-UHFFFAOYSA-N 448.448 6.134 30 20 IKED CSc1nc(C2CC2)nc(C)c1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 462037470 HWBKMDCZZRAZTC-UHFFFAOYSA-N 431.521 5.004 30 20 IKED CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1c(F)cc(C(F)(F)F)cc1F 463558119 ZOTACDORCQCIAO-UHFFFAOYSA-N 426.263 5.213 30 20 IKED CC[C@H](C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)c1c(C)noc1C 464303253 ZHUIWENFPGELMS-IBGZPJMESA-N 443.425 6.107 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c1 464423737 DXNAIOCWEZBPDG-GOSISDBHSA-N 441.796 5.908 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N(CCC(F)(F)F)CC(F)(F)F)ccc21 468543717 TWIGCGNISYCWBP-UHFFFAOYSA-N 449.317 5.593 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)CCc1nc(-c2cc(Br)cs2)no1 470648025 GJLINRRSSNVYEE-UHFFFAOYSA-N 446.370 5.098 30 20 IKED C=CCN(C(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1)c1nc(C(=O)OCC)cs1 472810084 PHAAMWVVYZAKJY-KRWDZBQOSA-N 436.533 5.293 30 20 IKED Cc1nc(CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)oc1-c1ccc(Cl)cc1 473829246 ZZNMCLJSIDBXEN-UHFFFAOYSA-N 442.906 5.420 30 20 IKED Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 474759004 RADNHJHNYAMGMD-NRFANRHFSA-N 431.458 5.113 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)[C@H](OC1CCOCC1)c1ccccc1 475576311 WBCDOLXYBPKILS-IBVKSMDESA-N 436.596 5.985 30 20 IKED C=CCn1c(S[C@@H](C)c2ncc(C(C)(C)C)o2)nnc1[C@@H]1COc2ccccc2O1 476506985 MUJQKXYUKMVGAJ-YOEHRIQHSA-N 426.542 5.115 30 20 IKED C=C(C)[C@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccn(C)n1)c1ccc(F)c(F)c1 477736227 CYPITEVWHXTARO-SFTDATJTSA-N 430.886 5.058 30 20 IKED C=C(C)Cn1c(SCc2nc(-c3ccccc3Cl)cs2)nnc1-c1ccncc1 478850736 HMNYPKSJXZYIPM-UHFFFAOYSA-N 439.997 5.985 30 20 IKED Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cc2)n1 479802743 ZCCZUCPPPFKNQR-IBGZPJMESA-N 440.503 5.024 30 20 IKED Cn1ccc(CNC(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c1 482341264 DMSSDCORFKAPGM-ZDUSSCGKSA-N 447.301 5.166 30 20 IKED Cc1ccc(-n2ncc(NC(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)c2C(C)C)cc1 484341317 OVQQLARGXMIKSF-UHFFFAOYSA-N 443.486 5.145 30 20 IKED CNc1ccc(C#N)cc1NC(=O)C(C)(C)c1csc(-c2c(F)cccc2Cl)n1 487595371 ZTCVIIWJQPBFGT-UHFFFAOYSA-N 428.920 5.432 30 20 IKED Cc1ccsc1-c1nnc(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)o1 488777557 CBPHXIRCVMKUOP-LBPRGKRZSA-N 430.580 5.089 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C(=O)Nc3ccccc3Cl)C(C)C)o2)cc1 489803669 DSMQTZHJEJWTTI-LJQANCHMSA-N 443.956 5.710 30 20 IKED Cc1oc(-c2ccccc2)nc1CS(=O)(=O)Cc1ccc(-c2ccccc2C#N)cc1 494746522 GYPCEOJDXKRXIM-UHFFFAOYSA-N 428.513 5.304 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCCc3nc4c(s3)CCCC4)c2)cc1 499332479 IZZPGVJOXSPPAP-UHFFFAOYSA-N 446.576 5.031 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)n2)c1 501152682 YJXIIPLPCALWDZ-UHFFFAOYSA-N 442.475 5.325 30 20 IKED C=CCc1cc(CNC(=O)N(Cc2cccs2)Cc2cccs2)cc(OC)c1OC 502813243 UIRBAVIBDVIXED-UHFFFAOYSA-N 442.606 5.467 30 20 IKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 505832434 LIEIFSVVFFFVOJ-SFHVURJKSA-N 440.956 5.161 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1c(F)cccc1F)C(F)(F)F 506317373 YPFGNDPTXBKQGB-BLVKFPJESA-N 443.441 5.048 30 20 IKED C=CCn1c(SCc2cc(Br)cc3cccnc23)nnc1-c1ccco1 507923550 YDYKWGCVMBHDNF-UHFFFAOYSA-N 427.327 5.327 30 20 IKED Cc1nc(-c2ccc([C@@H](C)NC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc2)cs1 508222616 NDYLMESWNXWJMD-QGZVFWFLSA-N 446.576 5.304 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1ccc(C(F)(F)F)cc1 508251530 LKDSMPSRLOPHCN-IEBWSBKVSA-N 447.505 5.297 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCCC2(CCOCC2)C1 508465757 RJNXCKOGUXQKKR-HXUWFJFHSA-N 432.568 5.154 30 20 IKED N#Cc1cccc(OC2CCN(Cc3cccc(NC(=O)c4ccccc4Cl)c3)CC2)c1 510534498 QKDNKPRTFWIGRF-UHFFFAOYSA-N 445.950 5.507 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)c3cccnc3SCc3ccc(F)cc3)n2)cc1 514559981 CGOCJXPDKBKXQJ-UHFFFAOYSA-N 446.532 5.760 30 20 IKED C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC(OC2CCC(C)CC2)CC1 516578427 ODBOMEIXDFSYPQ-UHFFFAOYSA-N 442.579 5.136 30 20 IKED C[C@H](NC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1)c1ccc(C#N)cc1 517614332 GZHMNDLBRWNTAS-UQBPGWFLSA-N 438.531 5.418 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(F)cc1)c1ccc(OC)cc1 518496647 AJSPZLNDABOQNS-RUZDIDTESA-N 431.511 5.417 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 518662527 HVVMYEDQBPXHHF-ZDUSSCGKSA-N 441.354 5.343 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 519434010 JYWXODHELVVWCD-GOSISDBHSA-N 439.540 6.513 30 20 IKED COc1ccc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)N(C)C[C@H](C)C#N)cc1 519448258 CTJHZBCXWICOMW-NTWDHKAESA-N 439.559 5.598 30 20 IKED COc1ccc(-c2csc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)n2)cc1F 520324416 VOTJIPOSVXVRQB-UHFFFAOYSA-N 446.463 5.269 30 20 IKED Cc1nc(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2c(C)c(C)sc2n1 520813704 QDRKFYITYIEIPK-LBPRGKRZSA-N 442.635 5.742 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H](C)c2ccccc2OC(C)C)cc1OC 520946976 YVWNLIZBLFOPAQ-INIZCTEOSA-N 434.374 5.661 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)CCCCOc1ccc(Br)cc1 521762701 HVNMPQOQHINVOT-UHFFFAOYSA-N 427.342 5.085 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NCCc3nc(-c4ccccn4)cs3)cc2)cc1 521996858 UPHLCCDMXSQDNE-UHFFFAOYSA-N 440.528 5.036 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3csc(Cc4ccc(F)cc4)n3)s2)cc1 524019436 MQUSTKBBINXKKS-UHFFFAOYSA-N 434.521 5.044 30 20 IKED N#C[C@@H](NC(=O)CCC(=O)c1csc2ccccc12)c1ccc(OC(F)(F)F)cc1 530798247 ZKBQVBIKQLKIAT-QGZVFWFLSA-N 432.423 5.144 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cncc3ccccc23)c1 534023134 XFKOBSMJAGENOM-UHFFFAOYSA-N 438.512 5.090 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COc1cc(Br)ccc1Cl 535893271 WDMUCYZDXYUXTL-LBPRGKRZSA-N 439.762 5.372 30 20 IKED COc1ccc(CNc2nnc(Cc3cccc4ccccc34)o2)cc1OCCCC#N 540807126 VLIRDQJEZXRHAS-UHFFFAOYSA-N 428.492 5.117 30 20 IKED C=CCSCCNC(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C 541903048 XAIYUIAFDNLPTK-UHFFFAOYSA-N 437.487 5.307 30 20 IKED COc1cc(CN2CCC(c3ccc(C)nc3)CC2)ccc1OCc1cccc(C#N)c1 542131336 CLTHTCKUQIIURE-UHFFFAOYSA-N 427.548 5.229 30 20 IKED Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542930583 RBAIZQOWXPTASN-INIZCTEOSA-N 427.529 5.670 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 549328157 ZHSWUSPNVFOGRK-JPYJTQIMSA-N 443.526 5.175 30 20 IKED C=CCOc1ccc(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1OC 551576275 IHAYVBWIFVHLDL-HSZRJFAPSA-N 435.486 5.536 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)c1cscc1C#N 551823264 QYNIZDGQPGCFPU-SNVBAGLBSA-N 432.368 5.305 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@H](c2ccccc2)c2ccc3ccccc3c2)CC1 558656588 KNBKMOFZVQFVCQ-HHHXNRCGSA-N 446.554 5.591 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1ccc(Oc2cccnc2)cc1 568439990 HJFHHEXHUBNKRX-RBUKOAKNSA-N 446.576 5.415 30 20 IKED Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 570367132 CNSIAHGCJIOOLX-QPPBQGQZSA-N 439.559 6.050 30 20 IKED Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 573294209 SXVUEMFLOIPBEF-UHFFFAOYSA-N 440.459 5.182 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)Nc3ccc(F)cc3OC3CCOCC3)cc2)ccn1 575628511 KJLLQVCDXKYNLX-UHFFFAOYSA-N 448.454 5.086 30 20 IKED Cc1cc(OCc2ccccc2)ccc1NC(=O)N(C)CCOCc1ccc(C#N)cc1 578915969 VRNLYUZHEROTFO-UHFFFAOYSA-N 429.520 5.126 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc(C#N)c(Br)c1 580254009 DRVUTRXAIUNQAN-UHFFFAOYSA-N 446.301 5.056 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cc2nccnc2cc1F 583278201 IQXDNGOSZBAVFU-UHFFFAOYSA-N 431.311 5.079 30 20 IKED Cn1c([C@H](C#N)C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)nc2ccccc21 587988743 MXYDFIOHLLSOFE-CQSZACIVSA-N 426.423 5.206 30 20 IKED C=CCN(C(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1)c1ccccc1 592584941 BERRTGRMPXVVPO-UHFFFAOYSA-N 425.326 5.564 30 20 IKED CCN(C(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12)[C@@H](C)c1ccc(C#N)cc1 603528789 ZNGKCVFPJIFNJM-INIZCTEOSA-N 444.560 5.972 30 20 IKED CC(C)OCc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)oc2ccccc12 604457110 UCBYECWHRJTXCV-UHFFFAOYSA-N 426.472 6.274 30 20 IKED Cc1ccc(NC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)c(F)c1 608763115 BXBRKIKZIUZLCJ-UHFFFAOYSA-N 431.311 5.610 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N(Cc2cc(Br)ccc2F)C2CC2)cc1 608994296 IOZNCSXWHGMZIQ-UHFFFAOYSA-N 430.321 5.586 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3cccc4c3OCCO4)cc2)cc1 608996104 SNDRPSJZTGXGFU-QHCPKHFHSA-N 441.487 5.491 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)cc1 609020682 RAVGIXGIFOPJMI-UHFFFAOYSA-N 442.906 6.110 30 20 IKED N#CCn1c(C(=O)N2CCCc3cc(Br)cc(Cl)c32)cc2ccccc21 609219550 WZXUBWWSAWSMCB-UHFFFAOYSA-N 428.717 5.174 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 609428292 KKTKHMNHWBREPZ-ZDUSSCGKSA-N 442.591 5.032 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 609438118 BZUWUILWHOTIGE-LAUBAEHRSA-N 443.016 5.693 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(NC(=O)Nc4ccccc4)c3)cc2)nc1 609498735 CNXQDUOKSQLHGO-UHFFFAOYSA-N 449.470 5.642 30 20 IKED Cc1nc(C2(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)CCCCCC2)no1 609499770 SMLTVQYHMSNIFK-UHFFFAOYSA-N 430.508 5.216 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCN(c4ccc5ccccc5n4)CC3)cc2)cc1 609548009 LUYIQJOKUCZIAX-UHFFFAOYSA-N 448.526 5.056 30 20 IKED Cc1ccc(C[C@@H](NC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccn2)cc1 609845383 NOVYXAGLMQXIKF-WMZHIEFXSA-N 430.577 5.890 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)cc1 609928950 NCEXAAWSZRDSJD-PXNSSMCTSA-N 445.494 5.908 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1cccc(Sc2cccc(Br)c2)n1 610173077 MQIIPRNMUDVEDC-UHFFFAOYSA-N 440.322 5.128 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CCc3nnc(-c4ccc(Cl)cc4)o3)cn2)c1 610423843 DNBHNNZVTPQNGB-UHFFFAOYSA-N 445.866 5.020 30 20 IKED CC(=O)N1CCCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c2ccccc21 611186143 DESJXZZPVTVCDZ-UHFFFAOYSA-N 445.906 5.407 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3ccc4ccccc4n3)s2)cc1OC 613290836 NUYHRDKCNXRSQI-QGZVFWFLSA-N 429.501 5.174 30 20 IKED C=CCn1c(SCC(=O)c2ccc3c(c2)Cc2ccccc2-3)nnc1-c1ccoc1C 613907550 ICQLNTKAJSBCDN-UHFFFAOYSA-N 427.529 5.579 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)Nc1cccc(Sc2ccccc2)c1 615297777 DWORZJBEJIVNHJ-KRWDZBQOSA-N 447.585 5.809 30 20 IKED COc1ccc(-c2nc3c(s2)[C@H](NC(=O)N[C@H]2CCc4cc(C#N)ccc42)CCC3)cc1 618812475 QATUUKSCKUTZBZ-RBBKRZOGSA-N 444.560 5.054 30 20 IKED CCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 619429048 UPXOIJVSXZQVTO-UHFFFAOYSA-N 444.878 5.869 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2ccc(F)cc2)CCCCC1 619901947 VIFIGTYQUVLHMW-HUUCEWRRSA-N 439.415 6.053 30 20 IKED Cc1cc(F)ccc1-n1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)n1 679980378 XDDYGNVSXASLTH-CQSZACIVSA-N 444.413 5.438 30 20 IKED CC1(C)[C@H](C(F)(F)F)CCN1C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 682444864 YEYJLYUSTQWNGS-ATZCPNFKSA-N 428.339 5.268 30 20 IKED COc1cc(C(=O)/C=C/c2c[nH]nc2-c2ccc3c(c2)OCO3)ccc1SC(F)F 728158436 NWVOSHFMRXQNGS-GORDUTHDSA-N 430.432 5.025 30 20 IKED COc1ccccc1/C=C(/C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 729418155 YGHMMTWHDBFBPT-LGUFXXKBSA-N 438.527 5.177 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1C#N 729420477 SOOCLYDGTANAGK-CYBMUJFWSA-N 434.496 5.312 30 20 IKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(C3CCC3)C2=O)cc1 730460344 YPVRVSHLCIOUMX-NRFANRHFSA-N 449.576 5.019 30 20 IKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CC[C@@H](N3CCCCC3)C2)c1=S 730805123 QTKAOMQMRABFPJ-JOCHJYFZSA-N 439.673 5.082 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 731267871 ILMTWJURMMPYBR-VOQZNFBZSA-N 444.556 5.377 30 20 IKED Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 731331816 RMKZAKMSAJJKQV-UHFFFAOYSA-N 428.879 5.750 30 20 IKED CCCOc1nc2ccccc2cc1/C=C/C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 731768068 ZXWIGSFRPAPKCR-DXRVJIQQSA-N 446.457 5.658 30 20 IKED CON=Cc1ccc(C(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)cc1 732134142 NJNURPYGYMOOHL-UHFFFAOYSA-N 446.482 5.043 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)OCc3coc(-c4cccc(Cl)c4)n3)cc2)nc1 732398487 HZUBBTNQIKSMIS-UHFFFAOYSA-N 431.835 5.411 30 20 IKED CC[C@@H](C#N)Oc1cccc(CN[C@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)c1 733797728 FSOJBHHJYYVKSX-DHLKQENFSA-N 447.966 5.799 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=S)Nc1ccccc1C#N 741169286 HIDBJMUHCOAVNP-UHFFFAOYSA-N 443.551 6.412 30 20 IKED O=C(/C=C/c1ccc(-c2nc3ccccc3s2)o1)c1c(F)cccc1N1CCOCC1 741447453 LONYZTRTXYMAMG-CSKARUKUSA-N 434.492 5.428 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)o1 742539797 DICCLMOXEZSPGE-UHFFFAOYSA-N 447.491 5.007 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCSc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 744035000 JTNYYUBOEWTBDR-GDBMZVCRSA-N 445.396 6.573 30 20 IKED C[C@@H](ON=Cc1ccc(Br)cc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 744445173 KMYDDZHTKANYAK-LLVKDONJSA-N 440.219 5.630 30 20 IKED CC[C@H](C)n1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1ccccc1 749753203 YIKYFUCXIJSVHJ-VQTJNVASSA-N 447.608 5.652 30 20 IKED COC(=O)[C@@H]1CCC[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1 751153826 XCEFJDGELIUVFI-YWPYICTPSA-N 437.348 5.273 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1C#N 752297962 ONIRDYANTPCLIF-KRWDZBQOSA-N 431.496 5.019 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nc(Cc2ccccc2)no1 752637989 VKQAZRGDJKAVBI-JPYJTQIMSA-N 437.503 5.199 30 20 IKED O=C1NC(=Nc2cccc(C(F)(F)F)c2)S/C1=C\c1cnc(-c2ccccn2)s1 753134988 MMTUKEGRCCMBJN-DHDCSXOGSA-N 432.452 5.116 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N 754678088 YHPIIDNHDGLAQO-DNVCBOLYSA-N 439.544 5.006 30 20 IKED Cc1cc(C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(C)n1-c1ccc(C#N)cc1 756634645 NBZHGOKKPKHELF-UKILVPOCSA-N 431.511 5.097 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3cccc(OCC(C)C)c3)n2)cc1 757406237 FAARQNWSRCNATH-NRFANRHFSA-N 436.533 5.109 30 20 IKED COc1cccc(-c2nc(COC(=O)c3ccc(C(F)(F)F)cc3C#N)cs2)c1OC 758118993 FQQOORDQSIRYGY-UHFFFAOYSA-N 448.422 5.075 30 20 IKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1sc2cc(C)ccc2c1Cl 759239524 OVCKSGDMTJCUDD-CQSZACIVSA-N 442.924 5.190 30 20 IKED N#C[C@H](C(=O)CCc1nc(C2CCCC2)no1)c1nc2cc(C(F)(F)F)ccc2s1 762069496 RWUPSRPEAQXZGB-CYBMUJFWSA-N 434.443 5.165 30 20 IKED N#C[C@H](C(=O)C1(CCOCc2ccccc2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 770842139 PTDZUCWMMNGDAN-QGZVFWFLSA-N 444.478 5.878 30 20 IKED CC(C)(C)OC(=O)CCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 774057118 XCMGZGKBHQTBNK-CYBMUJFWSA-N 425.337 5.415 30 20 IKED Cc1noc(C)c1-c1csc(=Nc2ccccn2)n1N=Cc1ccc(F)c2cccnc12 774178742 DHQKMXRJJQVUGU-UHFFFAOYSA-N 444.495 5.018 30 20 IKED N#C[C@@H](Cc1ccc(F)cc1F)OC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 774337010 YAQFWIWPQGIACB-OAHLLOKOSA-N 438.377 5.399 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)NCC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)cc1 775457459 HIOPAOBJFYOABP-WZONZLPQSA-N 448.526 5.250 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 780159366 IQFJAURUUDGNBH-OAHLLOKOSA-N 426.394 6.041 30 20 IKED N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)n1 781480455 JFIRFOKXOQROMC-SFHVURJKSA-N 443.404 5.271 30 20 IKED Cc1nc(/C=C/c2scnc2C2CC2)sc1C(=O)/C=C/c1scnc1C1CC1 782329326 MOIGAAUDYRYXFK-BLHCBFLLSA-N 425.604 6.186 30 20 IKED COc1cc(C#N)cc(Cl)c1OC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 783575639 NAUYQFHYJQZDGV-UHFFFAOYSA-N 449.315 5.057 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(C(=O)[C@H](C#N)c3nccc4ccccc34)ccc21 796899717 KIYKPXCSKDCZOH-OAQYLSRUSA-N 427.504 5.413 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)s1 797569246 OZOCKHCBPHIICQ-CYBMUJFWSA-N 432.958 5.113 30 20 IKED Cc1ccc(OCc2nc(CC(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)cs2)cc1 797573813 XJEINFNAMPRNQO-KRWDZBQOSA-N 425.579 5.204 30 20 IKED C=CCNC(=S)/C(=C(/O)c1ccc(CCC)cc1)[n+]1ccc(Cc2ccccc2)cc1 797797437 UEBVTIQSOGZHJH-UHFFFAOYSA-O 429.609 5.504 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](CCO)Cc2ccccc2)cc1Cl 799386685 CDWUQQINTCHIHI-GGAORHGYSA-N 433.939 5.111 30 20 IKED N#C[C@@H](C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 802036424 WRLPQUXBAOCFFE-XJKSGUPXSA-N 449.429 5.182 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1cc(C)sc1C)[n+]1cc(O)cc(-c2ccccc2)c1 811723441 DFRUKZOGJVAHMA-UHFFFAOYSA-O 437.610 5.402 30 20 IKED Cc1ccc(-c2n[nH]cc2C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)o1 839392552 KDBHWAXBKFCZOR-UHFFFAOYSA-N 449.923 5.261 30 20 IKED CC(C)N(C)Cc1cc(O[C@@H]2CCN(Cc3ccc(-c4ccccc4C#N)cc3)C2)ccn1 856602046 SVHLXPJBLAPQBE-HHHXNRCGSA-N 440.591 5.114 30 20 IKED CCN(C[C@H]1COc2ccccc2O1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915351592 ADLWZKDLLVYKKO-XZOQPEGZSA-N 427.504 5.036 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cc1 916953463 CIVXJFSURVPGIK-IERDGZPVSA-N 435.524 5.508 30 20 IKED Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)C2)c1 917027085 WGVMRJRWEYDJCT-RBBKRZOGSA-N 443.572 5.156 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)c(OC)c1 918037603 RBWQLCJIBHKEBR-UHFFFAOYSA-N 441.528 5.271 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(C)s3)CCC2)cc1 1786370222 YZSJXKZSILGRLE-BUHFOSPRSA-N 438.593 5.187 30 20 IKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)c3ccncc3)cc2)CCC1)c1ccccc1 1787309395 ZWWJARYPVLKQLU-RUZDIDTESA-N 437.543 5.027 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4cnccc4c3)cc2)CCC1 1789013983 QCUYYQAOQALGCU-RUZDIDTESA-N 439.559 5.751 30 20 IKED CC1=CC[C@H](C(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)CC1 1789111572 FJAGZZCBQGYPNJ-KQDNUWKFSA-N 448.588 5.368 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)n(C(F)F)n3)CCC2)cc1 1789456112 LKRHXKDBNQLOJE-LJQANCHMSA-N 442.510 5.103 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCn3nc(C)cc3C)CCC2)cc1 1789625388 AFLRNDIKGUCFJA-UHFFFAOYSA-N 436.600 5.017 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCCCC4(F)F)CCC3)cc2)c1 1790255613 BKACLRAGUKEHKC-OAQYLSRUSA-N 437.490 5.131 30 20 IKED COc1cccc(Cl)c1C(=O)Nc1ccc(C2(NC(=O)[C@@H](S)C(C)C)CCC2)cc1 1792144965 UKKLBHLRVHZFBY-FQEVSTJZSA-N 447.000 5.051 30 20 IKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)c(Cl)cc1C)C2 1793052723 OKOGCTYNAUEMDX-BCDXTJNWSA-N 435.395 5.322 30 20 IKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccccc2)[C@H](C)CC)n[nH]1 1816848330 GKQRKJDMWLROKZ-QNIAMRLHSA-N 434.584 5.035 30 20 IKED CC(C)=CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823218310 QPGJJTRSZFTWFZ-GCJKJVERSA-N 433.556 5.089 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccs2)CC1 1825313393 YDYIBZKAYHJYJH-DHIUTWEWSA-N 428.642 5.069 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1831369049 BABPCGIYDBGZFJ-HXOBKFHXSA-N 442.003 5.267 30 20 IKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Cc3cccc(F)c3)c2)CC1 1832747862 GYVTWPVEBNZDTL-SANMLTNESA-N 448.582 5.226 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@]2(F)CCCC=C2F)CC1 1832978235 JPWYDFWUWCSNGU-CJFMBICVSA-N 436.587 5.344 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)Nc1ccc(C)cc1 10173105 LUSDJVPZXMJMJB-UHFFFAOYSA-O 444.407 6.203 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccccc2CC)cc1 10173897 WUNZDTSEKHZTCO-UHFFFAOYSA-O 441.523 5.264 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2ccc(F)c(Cl)c2)c1 10756845 HZFUDOYADWLEKI-UHFFFAOYSA-O 427.952 5.743 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCc2ccc(OC(F)F)cc2)cc1 15098634 PWQLKBKAXPUNGJ-UHFFFAOYSA-N 438.499 5.424 30 20 IKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2cccc(CO)c2)c1 20887946 SFQBNPYQMJBGDL-UHFFFAOYSA-O 447.624 5.432 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C)nc2cc(Cl)ccc2c1=O 21831435 QJKSBFNGACSALO-CYBMUJFWSA-N 448.375 5.317 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 32785818 RRLAXCYFSVPHFM-AWEZNQCLSA-N 447.391 5.481 30 20 IKED Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)[nH]c2c1 61776550 WPDHHTIUGUCZDN-QHCPKHFHSA-N 437.503 5.904 30 20 IKED COc1ccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC 63641485 IHNLJCOCRWNPGW-QGZVFWFLSA-N 431.492 5.115 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1ccccc1Br 72098935 QRJPSIKWVKDYER-UHFFFAOYSA-N 434.334 5.237 30 20 IKED O=C(/C=C\c1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc([N+](=O)[O-])c1 108630141 SXMAMABIMAQBRJ-HEEUSZRZSA-N 428.400 5.295 30 20 IKED CCCn1c(S[C@@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)nnc1-c1ccncc1 214326760 PWIZBHBQDYJZHX-DBZAVIBRSA-N 447.608 5.111 30 20 IKED COc1ccc(-n2c(SCc3ccc(F)cc3C#N)nnc2-c2ccccc2OC)cc1 303129161 AVOJYMXACLCPPM-UHFFFAOYSA-N 446.507 5.255 30 20 IKED COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Nc1cccc(C#N)c1C)CC2 431706250 AYYDVABZSVPGBL-RUZDIDTESA-N 427.504 5.064 30 20 IKED N#CCCn1cc(CNc2ccc(CN3CCc4ccccc43)cc2)c(-c2ccncc2)n1 433338137 FYHUZGAPGGIVCG-UHFFFAOYSA-N 434.547 5.034 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)c2)cc1 437801720 PYRADRDVCCFWCI-UHFFFAOYSA-N 428.448 5.455 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H](COCc3ccccc3)C2)cc1 437844692 VISXFPFNYVBGIT-NRFANRHFSA-N 427.504 5.421 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCc1nc2c(C)cccc2o1 437978554 MXBJGLKKXMFKGS-UHFFFAOYSA-N 440.503 5.260 30 20 IKED CC(C)c1cnc(-c2ccc(NC(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4F)C3)cc2)o1 438501440 MJNKEMYWDOAKBJ-HXUWFJFHSA-N 447.514 5.266 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccnc(N3CCCCC3)c2)cc1F 438666626 VEMQFMSHWSQVIA-UHFFFAOYSA-N 445.498 5.197 30 20 IKED Cc1cc(N2CCNC2=O)ccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 441470982 HUPICFZDGKMZRZ-UHFFFAOYSA-N 446.894 5.094 30 20 IKED Cc1cccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccccc2Cl)c1C#N 442099295 RYAHVWYRHDRTAG-NRFANRHFSA-N 438.314 5.018 30 20 IKED COc1cc(CN(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C(C)C)ccc1C#N 442805818 ZLUDDNFWDNACKN-UHFFFAOYSA-N 439.865 5.088 30 20 IKED C[C@@H](C#N)CSc1ccccc1NCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 446622834 GIIPKHTYCVAADE-GBXCKJPGSA-N 441.600 5.525 30 20 IKED Cc1ccc(Cn2nc(C)c(CCC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c2C)cc1 464936757 CNZMPNUCEGVIAR-SVBPBHIXSA-N 440.591 5.088 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(Br)c(F)cc3F)cc2)nc1 467041840 YAKAVJHKXFRYHX-UHFFFAOYSA-N 430.208 5.039 30 20 IKED COc1ccccc1-c1ccc([C@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 469274704 RJYOMYYVEIZPPF-FQEVSTJZSA-N 439.559 6.118 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@H](c3c(F)cccc3F)C2)cc1 469446919 VLSJBLNKMAYNQO-IBGZPJMESA-N 447.485 5.631 30 20 IKED Cc1ccc([C@@H](NCc2nnc(-c3cccc(C#N)c3)o2)c2ccc(F)cc2Cl)cc1 471677136 NZLVGULNDKXGIN-HSZRJFAPSA-N 432.886 5.588 30 20 IKED COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1cc(C#N)ccc1C)CCO2 473337559 CFYDLAIPKPHARF-DEOSSOPVSA-N 427.504 5.433 30 20 IKED C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC 473764992 YLXIRTFYSLRUOD-INIZCTEOSA-N 437.989 5.406 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)n1 474449159 UENSJKWRIMFZRG-NSHDSACASA-N 433.320 5.646 30 20 IKED N#CC[C@H](CC(=O)N1CCC[C@H]1c1ccc(I)cc1)c1ccccc1 476198413 SPNMZLBWQBMTHV-QUCCMNQESA-N 444.316 5.042 30 20 IKED Cc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)sc1SCC#N 480539316 JJRHJBXDQAFDFS-UHFFFAOYSA-N 442.547 5.379 30 20 IKED C[C@@H](C#N)CN(C)C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482343244 HBVLORFBQXKRAP-UFBFGSQYSA-N 435.290 5.129 30 20 IKED COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)[C@H](C#N)c2nccc3ccccc23)cc1 483211333 GJSJOLUNTGCTGU-JOCHJYFZSA-N 439.427 5.434 30 20 IKED CC(C)(C)c1nnsc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 489931784 QOVMWLCVYRHEHZ-UHFFFAOYSA-N 426.929 5.192 30 20 IKED CCOc1cc2c(cc1NC(=O)c1ccc(Sc3ccccc3C#N)cc1)OCCO2 490776264 YODLGWULHUCMNQ-UHFFFAOYSA-N 432.501 5.132 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3[nH]c4ccccc4c3Cl)s2)cc1 491480512 QHCBPEQVCOGFCA-UHFFFAOYSA-N 425.926 5.089 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccccc1Nc1c(F)cccc1F 494092212 KGFKJCVEXXTMGO-UHFFFAOYSA-N 434.446 5.328 30 20 IKED Cc1ccc([C@@H](Nc2cccc(OCCCC#N)c2)c2cccc(S(C)(=O)=O)c2)cc1 494951791 NPXWDTAWNKBUTE-RUZDIDTESA-N 434.561 5.283 30 20 IKED COc1ccc2ccccc2c1CNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 497581011 RHPSRSUAPVOAAL-UHFFFAOYSA-N 438.531 5.172 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2ccc(Oc3nncc4ccccc34)cc2)cc1 498569095 FXHGMGSMTHUMDY-UHFFFAOYSA-N 426.501 5.166 30 20 IKED O=C(N1CCCC[C@H]1C(F)F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 500665225 MQNSKLJGMVMIIO-QDASYSDGSA-N 447.410 5.755 30 20 IKED C=CCn1c(S[C@H](C(=O)N2CCCCC2)c2ccccc2)nnc1-c1ccccc1F 501108452 SCVCZOMHGHHVMH-NRFANRHFSA-N 436.556 5.116 30 20 IKED Cc1ccc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)cc1NC(=O)c1ccccc1 501131143 PNTSRTAVGSCUAS-UHFFFAOYSA-N 438.512 5.495 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)c2)cc1 501474108 PSMZWDKMKOSOID-UHFFFAOYSA-N 442.475 5.066 30 20 IKED Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)Nc1cccc(OCCCC#N)c1 502604305 RCLLLBOYVWKRCI-UHFFFAOYSA-N 434.540 5.194 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N3[C@H]4C=C(c5ccccc5)C[C@H]3CC4)n2)c(Cl)c1 504614153 VVGLZXOHEQKATN-WOJBJXKFSA-N 429.911 5.250 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(OC)cc(OC)c1C 504989203 UADUNMSFWXQVKT-UHFFFAOYSA-N 437.309 5.134 30 20 IKED Cc1ccc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccccc1 505918109 YCAFFAZAXPEKNF-OAQYLSRUSA-N 437.421 5.261 30 20 IKED C=CCn1c(-c2ccc(C)s2)nnc1N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 508915609 XVTWUMAXLBJUEL-UHFFFAOYSA-N 446.498 5.018 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 509620222 SXJMMULZKSPHTK-UHFFFAOYSA-N 447.560 5.621 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC([C@@H](F)c2ccccc2F)CC1 511111703 YWNYSODZNIUQRV-BXKMTCNYSA-N 443.563 5.581 30 20 IKED Cc1ccc(OCc2cccc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)c2)cn1 511424179 QBBQXIHNDAGJAY-OAQYLSRUSA-N 426.303 5.271 30 20 IKED COc1ccc(Cl)cc1CN(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511435787 AHHIBPMTLYEWDD-UHFFFAOYSA-N 448.910 5.136 30 20 IKED COc1ccc(-c2ccc(C)c(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)c2)cn1 513014390 HYMQQMVZDSKLIO-UHFFFAOYSA-N 437.503 5.095 30 20 IKED Cc1cccn2cc(COc3ccccc3C(=O)[C@H](C#N)c3nc4ccccc4s3)nc12 513696077 RTUMIQQZSWLJHS-IBGZPJMESA-N 438.512 5.322 30 20 IKED CCc1c(C(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)[nH]c(C)c1C(C)=O 516377703 BSOSXISURLIWNT-UHFFFAOYSA-N 433.533 5.079 30 20 IKED COc1cc(CN(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)ccc1SC 517363922 CVGRISRGIGFKSU-UHFFFAOYSA-N 436.508 5.492 30 20 IKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)NC[C@@H](C)c1ccccc1 517461056 MYZRRNBCJVXVCB-CVEARBPZSA-N 435.515 5.431 30 20 IKED Cc1c(Br)c2ccccc2n1CC(=O)Nc1ccccc1S[C@H](C)CC#N 517522745 WDOSCHLRDOVOFZ-CQSZACIVSA-N 442.382 5.745 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 518166348 WYTJILWGBKPKTB-HZPDHXFCSA-N 437.569 5.105 30 20 IKED C[C@H]1CCCCN1Cc1ccc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 518255494 NHFWYKQRVVGFEK-VQTJNVASSA-N 436.625 5.777 30 20 IKED COc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cs2)cc1 518516640 QGIVBCLFJWKXBT-SFHVURJKSA-N 442.525 5.304 30 20 IKED N#Cc1cccc(OCCCCC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)c1 518906855 YPLTZXSSQIFYDB-RUZDIDTESA-N 437.543 5.537 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccccc1SC[C@@H](C)C#N 519433769 CDRXZPZMGOZWRL-HNNXBMFYSA-N 438.984 5.706 30 20 IKED Cc1nc(O)cc(-c2ccc(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)cc2)n1 521373420 HIBPYDABVQUKNY-UHFFFAOYSA-N 437.459 5.466 30 20 IKED C=CCNC(=O)Nc1ccc(NCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1 522283970 RMXBXDYLNKNPIN-UHFFFAOYSA-N 437.547 5.518 30 20 IKED C[C@@H](Sc1ncccc1Br)C(=O)Nc1sc2c(c1C#N)CCCCC2 522901898 MFRZKTWSIGAYJD-LLVKDONJSA-N 436.400 5.165 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)CCCCOc2cccc(C#N)c2)cc1 525529814 OLGNRCVQZIUZLQ-NRFANRHFSA-N 442.559 6.003 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 534985837 HBGQCDQWKSQGPI-HTAPYJJXSA-N 433.930 5.009 30 20 IKED CC(C)[C@H](NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nnc2ccccn12 542023701 YMEGMLZURQDWIB-KOSHJBKYSA-N 438.535 5.025 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CNc2ccc(CC#N)cc2)cs1 545365809 IFGQJFQFDFRWMQ-UHFFFAOYSA-N 430.455 5.525 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CSCc1cc(-c2cccs2)on1 553117775 OZLCUFHSEZCBCV-UHFFFAOYSA-N 430.599 5.019 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCCc1cc(Br)ccc1F 553404169 QQAGLDHILBYTQG-ZDUSSCGKSA-N 436.350 5.204 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2sc([C@H]3CCCOC3)nc2C)cc1 559395478 QZKCPDMVFKEEHW-KRWDZBQOSA-N 449.532 5.270 30 20 IKED N#CCC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2ccccc2)CC1 568054065 ADSBRUDBRQFJGX-UHFFFAOYSA-N 438.000 5.402 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(C#N)c(Br)c2)c1 571598244 HBLHEGULBIJTOF-UHFFFAOYSA-N 434.721 5.211 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CC[C@H](CSc4ccccc4)C3)cc2)ccn1 573612507 HYZVECOAKCOJDU-SFHVURJKSA-N 430.533 5.392 30 20 IKED CC(C)n1ncc2c(C(=O)N(CCC#N)c3ccc(F)cc3)cc(-c3cccs3)nc21 580824878 DVHDBNYTDLTBBA-UHFFFAOYSA-N 433.512 5.440 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N(C)CCOCc3ccc(C#N)cc3)s2)cc1 582442063 DAWSRMDHAGPQOJ-LJQANCHMSA-N 448.592 5.218 30 20 IKED N#Cc1c(F)cccc1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 590596254 SPIBZEIAJWBDJS-MRXNPFEDSA-N 427.551 5.290 30 20 IKED Cc1nc(SCC(=O)Nc2ccccc2-c2nc3ccccc3s2)c(C#N)c(C)c1C 601703979 IJXRPQPYBXORDI-UHFFFAOYSA-N 444.585 5.886 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1c(C)nn(CC(C)C)c1C 603532701 LLLRBSCKTSMWST-UHFFFAOYSA-N 432.543 5.251 30 20 IKED CC(C)[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1nc2ccccc2[nH]1 603649041 REHGOVGKOHGXFU-FQEVSTJZSA-N 430.537 5.001 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C 603698331 YNMGBNXCKRVWMY-UHFFFAOYSA-N 441.535 5.955 30 20 IKED Cc1ccc(-c2nc(CC(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)cs2)o1 603992289 OKDOPMXNPKGCGI-UHFFFAOYSA-N 431.542 5.592 30 20 IKED Cc1cc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c2cnn(C(C)C)c2n1 603992362 SLGWUZRAKKLMKW-UHFFFAOYSA-N 427.533 5.272 30 20 IKED CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 608638131 MOUHPRCJHUTKLM-CPUCHLNUSA-N 442.419 5.602 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cnc(-c3ccccn3)s2)cc1 609011097 ZLMGUZICMGNUAJ-UHFFFAOYSA-N 428.492 5.058 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc1 609031590 IMUDNZMAAHLTFR-JKSUJKDBSA-N 427.253 5.560 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)o2)cc1 609054944 LNTZQDZIGDZGHP-FQEVSTJZSA-N 429.501 5.317 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCSc1ccc(Br)cc1 609428407 NASOTXJTTYTDFE-CQSZACIVSA-N 435.412 5.964 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)c1 609724198 KUAZRZLSZPBVNW-VWLOTQADSA-N 439.902 5.918 30 20 IKED C[C@@H](CC(=O)N[C@H](C#N)c1ccccc1Br)c1cccc(C(F)(F)F)c1 609993912 BZKOVQGYTVSLIJ-YVEFUNNKSA-N 425.248 5.343 30 20 IKED CC(C)=CCSc1ccccc1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 610152223 WVAZPDQZRXIELN-UHFFFAOYSA-N 429.545 6.365 30 20 IKED C=CCN(C(=O)c1cnc(-c2ccncc2)s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 610169310 MODYVVQTFBWBLA-UHFFFAOYSA-N 449.517 5.070 30 20 IKED CN(Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 615858364 LXLGDHHUYZXXOT-UHFFFAOYSA-N 445.350 5.240 30 20 IKED COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 615860687 DWKAPNSWIHFKAM-QHCPKHFHSA-N 446.551 5.037 30 20 IKED N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 672216853 GBDANRVMNYLQFX-UHFFFAOYSA-N 449.354 5.040 30 20 IKED O=C(N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 684800054 BSRKZYJFIQATDI-FMKGYKFTSA-N 448.329 5.334 30 20 IKED Cc1ccc(-c2nc(CCNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)co2)cc1 726711704 ILKFRAZSFUFHHW-RUZDIDTESA-N 436.515 5.670 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2cn(C)c3ccccc23)cs1)c1ccc(F)cc1F 726740400 DVRFJZLLSOQJAS-NTMALXAHSA-N 437.471 5.494 30 20 IKED C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 727220978 ZLURSLAQESOYCC-CQSZACIVSA-N 445.302 5.055 30 20 IKED Cc1ccc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cc1NC(=O)c1ccncc1 728271337 YZKZEBFDSNPZDG-UHFFFAOYSA-N 449.514 5.174 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(-n2cccc2)c(F)c1 729187577 FIFCTEVKGBLXOU-FQEVSTJZSA-N 439.446 5.370 30 20 IKED Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1CNCc1ccc(OCC#N)cc1 729685410 RYZAVMGKTJHCPH-UHFFFAOYSA-N 449.769 5.392 30 20 IKED C#CCOc1ccccc1OC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 730511484 WFPFMNWUATZJRR-HNNXBMFYSA-N 427.909 5.234 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cc2ccccc2s1 730685124 AFWVUZWHHKLDQN-HTAPYJJXSA-N 439.540 5.373 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2c(s1)CCCCC2 731060110 GYSDNPHZGUUULX-OAHLLOKOSA-N 428.579 5.064 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CSc1ccccc1Cl 731060454 KTXFNRQECABARK-CQSZACIVSA-N 434.970 5.008 30 20 IKED C#Cc1cccc(N2C(=O)/C(=C/c3csc(-c4cccc([N+](=O)[O-])c4)n3)SC2=S)c1 733370173 XSKAUNYDTXGICV-WQRHYEAKSA-N 449.538 5.105 30 20 IKED O=C(/C=C/c1cccc(OC2CCCC2)c1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741844284 SVWOXKFYADJCRR-MDWZMJQESA-N 438.467 5.240 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)[C@H](Sc3ccccc3F)c3ccccc3)o2)cc1 744973872 GFJQYCOMPFWGSN-JOCHJYFZSA-N 445.475 5.324 30 20 IKED COc1ccc(CNC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)cc1C#N 747302835 VDYRXAAOKSQWIF-UHFFFAOYSA-N 442.397 5.095 30 20 IKED COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2OC(F)F)cc1OCCCC#N 747361425 MHLJTVYZXVPHEX-XYOKQWHBSA-N 437.442 6.028 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCSc2ccnc3cc(Cl)ccc23)cc1 751826775 KEVGXDYCDAKJSC-IBGZPJMESA-N 437.952 5.280 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)c1 758273629 YJVIDASPQGTPNO-OAQYLSRUSA-N 440.503 5.421 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC3CCC(O)(c4ccccc4)CC3)cc2)cc1 760928820 IMLFPAACCQGMLI-UHFFFAOYSA-N 427.504 5.302 30 20 IKED CC(=NOCC(=O)N[C@H](c1cccs1)C(C)(C)C)c1nc2ccccc2n1C(F)F 762668250 CSQPNRCLIZYXMX-GOSISDBHSA-N 434.512 5.137 30 20 IKED N#Cc1cc(NC(=O)c2ccc(Oc3ccccc3Cl)nc2)c(Cl)c([N+](=O)[O-])c1 764317064 YDTMCMKMRLLOIO-UHFFFAOYSA-N 429.219 5.213 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(O)(c3ccccc3Cl)CC2)cc1 765257481 AHUVBIIUSPBJJG-UHFFFAOYSA-N 447.922 5.519 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)nnc1-c1ccc(C)cc1 768404685 ZVOAJNXAHHGIPT-IBGZPJMESA-N 447.608 5.159 30 20 IKED Cc1ccc([C@](O)(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C(F)(F)F)o1 773280725 GCSOYAFFOIFZIA-JOCHJYFZSA-N 444.409 5.339 30 20 IKED C=CCCC[C@H](C)NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl 776014392 IJTWOXKNRPFMQV-LBPRGKRZSA-N 435.824 5.654 30 20 IKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)O[C@H]([C@H]1CCOC1)C(F)(F)F 778040488 NWFOBUNKKCHGHN-PNUYRZAZSA-N 436.270 5.248 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cnc(-c2ccc(F)c(F)c2)s1 780305740 NTOHIPHKPZQGAT-INIZCTEOSA-N 433.439 5.203 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NS(=O)(=O)c2cccc(C(F)F)c2)cc1 780382682 FATUXXUQJOYGKJ-UHFFFAOYSA-N 430.432 5.098 30 20 IKED N#CC1(COC(=O)[C@@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)CCOCC1 780547219 JUIRUAOQUISJPA-IBGZPJMESA-N 436.360 5.690 30 20 IKED COc1ccc(SCCCC(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 781458477 KWXKQGVSILRGKH-FQEVSTJZSA-N 438.574 5.576 30 20 IKED Sc1nnc(CSc2ccccc2)n1N=Cc1ccc(-c2nc3ccccc3s2)o1 782244284 GZEZYGDPWAIXME-UHFFFAOYSA-N 449.586 5.611 30 20 IKED CC[C@H](C)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 782957470 URMQKDJIXQKTHU-NBGIEHNGSA-N 425.532 5.108 30 20 IKED CC(C)(C#N)CCCOC(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 783042977 RSXVIUGAXPJEKN-UHFFFAOYSA-N 443.341 5.117 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccccc2)ns1)c1ccc(Cl)cc1Cl 787052076 XKCXVITZLKNDRZ-BLLLJJGKSA-N 444.343 5.317 30 20 IKED N#CCCn1cc(/C=C\C(=O)c2ccc(OCc3ccccc3)cc2)c(-c2ccncc2)n1 788348452 BRYSLEHEZQBDOT-XFXZXTDPSA-N 434.499 5.334 30 20 IKED Cc1ccc(C(=O)N(C)c2ccc(OC(=O)c3cc(-c4cccc(C#N)c4)no3)cc2)cc1 790667426 AKZBYVJHVBQYLX-UHFFFAOYSA-N 437.455 5.018 30 20 IKED CCOC(=O)Oc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 799897494 VYIXKVYABVXMLT-NRFANRHFSA-N 434.879 5.783 30 20 IKED COc1ccc(CNCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cc1OCCCC#N 800275385 ASSQTIWWJDMUDZ-LJQANCHMSA-N 442.003 5.557 30 20 IKED CC(C)(C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1csc(-c2cccs2)n1 800392103 QUFYKMBGWZDWKL-GFCCVEGCSA-N 427.551 5.774 30 20 IKED CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[C@@H](C#N)c1nccc2ccccc12 805929429 DMDLUYGFCFMLPZ-JTHBVZDNSA-N 443.547 5.703 30 20 IKED CC(C)(C)N1CC[C@@](F)(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1 810533047 UCCQTQUXDCNWOF-VLIAUNLRSA-N 440.371 5.506 30 20 IKED O=C(/C=C\c1cc(C(F)(F)F)ccc1Br)c1cccc(N2CCOC2=O)c1 811689648 IMZGNVRVUONLLE-DAXSKMNVSA-N 440.215 5.321 30 20 IKED N#Cc1ccc(N2CC[C@@H](Sc3nn(-c4ccc(Cl)cc4)c(=S)s3)C2=O)cc1 812556231 SEHSNZASNIBKIQ-MRXNPFEDSA-N 444.994 5.086 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CC3(CCC3)[C@H]2c2ccccc2)cc1 815799013 BCALWPUCSUYYMX-JWQCQUIFSA-N 435.527 5.034 30 20 IKED N#C[C@H](C(=O)COc1ccc(Cl)c(F)c1)c1nc2cc(C(F)(F)F)ccc2s1 815913249 LRUCASLRROOVIC-LLVKDONJSA-N 428.794 5.363 30 20 IKED C[C@@H](OC(=O)/C=C\c1ccccc1C#N)C(=O)N1c2ccccc2Sc2ccccc21 857993055 KKIZKUYYASJYRC-NHRMXYMRSA-N 426.497 5.333 30 20 IKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1c(C)oc(-n2cccc2)c1C#N 915356328 BRZVITJINLXEAZ-UHFFFAOYSA-N 439.475 5.455 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(C2CCCC2)C1=O)Nc1ccccc1F 916208966 BKAHNQGKIDQZFJ-IBGZPJMESA-N 445.947 5.382 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=Nn1c(S)nnc1-c1cccs1 916313790 DRLCCDDAIGZEFU-UHFFFAOYSA-N 449.392 5.038 30 20 IKED Cc1ccc(COc2ccc(C=Nn3cnnc3SCc3ccc(Cl)cc3)cc2)cc1 916546104 FFPJQOXIAOHLBQ-UHFFFAOYSA-N 448.979 5.993 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc2c3ccccc3n(C)c2s1 916903436 NVUVHEDERWPJMM-LJQANCHMSA-N 429.545 5.479 30 20 IKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc2c(s1)-c1ccccc1OC2 916941860 AOOQXNTWADGOOY-INIZCTEOSA-N 443.311 5.575 30 20 IKED C=CCOc1ccc(/C=C/C(=O)N(c2ccccc2)c2nc3ccccc3s2)cc1OC 917524835 FIPXIFOGPAUGTM-JQIJEIRASA-N 442.540 6.248 30 20 IKED FC(F)Oc1ccc(-c2nnc(S)n2N=Cc2cc(-c3ccccc3)cs2)cc1 917537229 BIBCJUZKKVWLDT-UHFFFAOYSA-N 428.489 5.446 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C 920110456 RIYBKPCNBGDKGQ-FQEVSTJZSA-N 435.911 5.107 30 20 IKED Cc1ccc(-n2nnc(CC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2C)cc1 920322844 ACUWWCYLYWRFRW-LJQANCHMSA-N 447.951 5.080 30 20 IKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)Cc4ccc5ccccc5c4)cc3)CCC2)c1 1787702028 HHDUEIGXWVNWRE-UHFFFAOYSA-N 448.526 5.030 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccc(Cl)cc2[nH]1 1792470516 FBKNKOYAOADVLH-REPLKXPHSA-N 427.976 5.066 30 20 IKED C=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc3c(c2)c2ccccc2n3CC)C1 1799314129 DDMKEINULVMHAM-KOUNCHBCSA-N 441.575 5.032 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccnc(C(C)(C)C)c2)[nH]n1 1814826913 GEWHOPBLQOOSIJ-NRFANRHFSA-N 449.599 5.177 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc3ccccc3c2)n[nH]1 1816826717 BKXYAGQYBIXVHD-WZONZLPQSA-N 430.552 5.010 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C3CC3)cc2)[nH]n1 1819308797 CLHUKOGPHGKAHO-FYYLOGMGSA-N 432.568 5.361 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@H](C)c2ccccc2)[nH]n1 1819309914 LCRKXTZFICDGFG-XKCSPQBFSA-N 434.584 5.364 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccccc3n2C)CC1 1824142574 YEJWJLKOPBINAA-RUZDIDTESA-N 447.623 5.180 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1 1824145225 WBIHMYYZKSNNST-HKTJVKLFSA-N 426.645 5.201 30 20 IKED CC/C=C(\C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828909002 YAUSXJBJYUNSJI-YOKWNPFVSA-N 430.709 5.014 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1829065264 XSNMGOYXMCQUOU-VWLOTQADSA-N 449.639 5.103 30 20 IKED Cc1cccc(Cl)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1 1829958226 BVCUWIMAJCVZRL-HSZRJFAPSA-N 449.982 5.067 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc3ccc(C)cc3s2)CC1 1831372001 RIRXGBPHSPRGGQ-WIYYLYMNSA-N 439.625 5.050 30 20 IKED CC(C)=CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832633332 GRUUTGXEEUZRHM-OFVILXPXSA-N 435.612 5.293 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2ccccc2OC)cc1 10118239 WIPCGNRWAVYPNV-UHFFFAOYSA-O 433.597 5.521 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)CC)nc2scc(-c3ccc(C)cc3)c2c1=O 21577990 KOIFXNXQYWVDDL-HOTGVXAUSA-N 441.622 5.015 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2cccc(O)c2)s1 22731102 SGGCTJKSIQYNIA-UHFFFAOYSA-O 438.381 5.407 30 20 IKED COc1cccc(N/C(S)=C(/C(=O)c2cc(C)[nH]c2C)[n+]2ccc(C(C)(C)C)cc2)c1 23603525 QEEROBGFAIVDQN-UHFFFAOYSA-O 436.601 5.276 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1coc(-c2ccc(C)cc2)n1 25610464 RIEQRCOHOOUMAT-UHFFFAOYSA-N 436.512 5.438 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(NCc2ccc(F)cc2)s1 28123038 GLFQKJKEGUKSKQ-CQSZACIVSA-N 448.614 5.046 30 20 IKED COc1ccc(CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 46861667 SFRZSAMYFQDJHH-OAQYLSRUSA-N 434.923 5.584 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC2(c3ccc(F)cc3)CCC2)cc1 63286437 SHUSECNCQJNTEX-UHFFFAOYSA-N 429.495 5.672 30 20 IKED COc1ccc(C(C)(C)CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 63721305 HTCAEXGPGPHLQM-UHFFFAOYSA-N 430.573 5.567 30 20 IKED COc1ccc(C(=O)CCCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 108737147 ISLFMDNRNUVAFS-UHFFFAOYSA-N 444.506 5.288 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)c1 303555228 KGOAQQAQLYBATR-UHFFFAOYSA-N 434.879 5.204 30 20 IKED CC(C)c1oc([C@H]2CCCN2CCC(=O)Nc2sccc2C#N)nc1-c1ccccc1 427002652 QJCSFBVEVDEMTB-LJQANCHMSA-N 434.565 5.564 30 20 IKED COc1cc(Cl)c(Br)cc1C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 429902272 VRQWAOVWJCRGFF-CRAIPNDOSA-N 433.733 5.023 30 20 IKED N#Cc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)c(Cl)c1 430354842 GALVFXLKCAUVFA-UHFFFAOYSA-N 444.672 5.072 30 20 IKED CN(C(=O)CSc1ccccc1C(=O)Nc1ccc(C#N)cc1Cl)C1CCCCC1 430360209 XIPJNIYDLCIIEM-UHFFFAOYSA-N 441.984 5.347 30 20 IKED Cc1nnc(SCc2c(C(=O)Nc3ccc(C#N)cc3Cl)oc3ccccc23)s1 430376160 NIDBLSLHFSBJQI-UHFFFAOYSA-N 440.937 5.662 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)s1 430643820 MITCXCVGQQLDDT-CYBMUJFWSA-N 434.439 6.089 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H](c2ccc(F)cc2)C1 432072255 QOINNEHDOWZFTC-JOCHJYFZSA-N 429.495 5.606 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 432196734 SMAYORVFGWNCOE-UHFFFAOYSA-N 434.883 5.146 30 20 IKED Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 432858229 IIWXQDXRGFRTFI-NRFANRHFSA-N 432.911 5.267 30 20 IKED C=CCCOCCCCC(=O)Nc1c(-c2ccccc2)nc2ccc(Br)cn12 432974930 AIFWKQLXZWRFQJ-UHFFFAOYSA-N 442.357 5.465 30 20 IKED N#CCCC[C@H](NCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)c1ccccc1 433019061 KYIBWILSSCAWEL-FPOVZHCZSA-N 448.617 5.512 30 20 IKED N#CCCn1cc(CN(Cc2cccc3ccccc23)C2CCCC2)c(-c2ccncc2)n1 435123458 GVYVLTOLASXWOK-UHFFFAOYSA-N 435.575 5.957 30 20 IKED Cc1ccc(C(=O)N[C@@H](CC(=O)N[C@@H](CCC#N)c2ccccc2)c2ccccc2)cc1 439648507 AQENKFWIYXPGBD-DQEYMECFSA-N 425.532 5.018 30 20 IKED CCCc1c(NC(=O)Nc2cc(F)ccc2Br)cnn1-c1cccc(C#N)c1 439671579 HTNROMBGXLFCLN-UHFFFAOYSA-N 442.292 5.242 30 20 IKED N#Cc1ccc(CN(Cc2cc(-c3ccc(F)cc3)no2)c2ccc3nc(O)[nH]c3c2)cc1 440722761 AEGNWVSBXYGOCQ-UHFFFAOYSA-N 439.450 5.141 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC(Cc2nccn2C)CC1)c1ccc(C(F)(F)F)cc1 441529827 BBVKGQBSFFFLIV-HXUWFJFHSA-N 434.506 5.111 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1 444015809 AVRIANINXPFXGI-UHFFFAOYSA-N 426.520 5.012 30 20 IKED N#CCCCn1cc(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)c2ccccc21 444277325 QMOYLEQOTXBJMU-UHFFFAOYSA-N 428.536 5.716 30 20 IKED N#CC1(c2nc(CC(=O)Nc3nc(-c4ccc(Cl)c(Cl)c4)cs3)no2)CCCC1 445431671 PHJHSVCASPWVSG-UHFFFAOYSA-N 448.335 5.016 30 20 IKED COc1cc(CN2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)ccc1OCc1cccc(C#N)c1 463210933 HRMVGVWRQBWNNT-UBFVSLLYSA-N 434.580 5.051 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc(NC(=O)C2CC2)cc1 463745245 BFHOKBSIAFBKCA-UHFFFAOYSA-N 447.482 5.241 30 20 IKED CSc1cccc([C@@H](NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c2cc(F)ccc2F)c1 464130519 GGZMKQZKCOFVON-IQMFZBJNSA-N 438.499 5.231 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c1 464412407 RYHQQBMARGITIY-QGZVFWFLSA-N 441.796 5.908 30 20 IKED COc1ccccc1N1CC[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 465163961 IEAYVULJWJIVKJ-HXUWFJFHSA-N 442.519 5.068 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H](c1ccc(Cl)cc1)C1CCCC1 466520037 BZACEMAHJISGJU-HSZRJFAPSA-N 425.960 5.252 30 20 IKED CC(=O)c1c(F)cccc1N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469561818 HTPAGRWDBSZHEZ-QGZVFWFLSA-N 435.339 5.644 30 20 IKED N#CCCCn1cc(C(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c2ccccc21 469803446 AKSRHHPHQIJQTA-SFHVURJKSA-N 425.454 5.594 30 20 IKED CC(C)Cn1ccc2c(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)cccc21 469823180 UVOYEFFWDHWFSC-UHFFFAOYSA-N 428.536 5.133 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CSc1nnc(C)n1-c1ccc(OC)cc1 476081450 SWTPZMSQUSREJR-UHFFFAOYSA-N 436.581 5.167 30 20 IKED N#C[C@@H](C(=O)c1cnc(Cc2ccccc2F)s1)c1nc2ccccc2n1C(F)F 478101181 KLUPYBPRQUAVPL-ZDUSSCGKSA-N 426.423 5.108 30 20 IKED N#CCN1CCC[C@H](CNC(=O)[C@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)C1 479893703 AVWBHXNSADLFHT-IIBYNOLFSA-N 448.419 5.179 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3cccc(-n4cc(C(F)(F)F)cn4)c3)CC2)cc1 481953061 LTLGHDHLPAEIPN-UHFFFAOYSA-N 437.425 5.084 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482401603 QSOGOVIIIYDNIL-GOSISDBHSA-N 439.384 5.161 30 20 IKED O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)N(Cc1ccccc1)CC(F)F 482416622 RCFVLBIIOLUVOG-MRXNPFEDSA-N 438.343 5.368 30 20 IKED N#CCCC[C@@H](NC(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)c1ccccc1 487566935 DEGYQSIXBCRRHU-HSZRJFAPSA-N 440.478 5.708 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](COc1ccccc1F)C(C)(C)C 490311699 ACBQAEIEZUPSHB-HRAATJIYSA-N 429.561 5.693 30 20 IKED CSc1cc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)c(Cl)cc1Cl 496223957 DOZPHMJXHSPHBC-AWEZNQCLSA-N 430.154 5.472 30 20 IKED O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C/c1cc(C(F)(F)F)ccc1F 499198561 WLFTVCUEAGTMPI-YFHOEESVSA-N 428.307 5.518 30 20 IKED CC(C)CN(C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1ccc(C#N)cc1 499322146 DMJCZVAEBMFGNH-VWLOTQADSA-N 425.532 5.109 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(N3CCCC3)nc2)cc1Cl 499590807 MVHJVUMYVXQKIC-JOCHJYFZSA-N 445.954 5.312 30 20 IKED N#C[C@@H](NC(=O)c1ccc(COc2cccc(Br)c2)o1)c1ccccc1Cl 499947977 UXSXHMOENSDUKK-GOSISDBHSA-N 445.700 5.269 30 20 IKED C[C@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1cccc(OCc2ccccn2)c1 502300935 BZMUVLDMWPFFGC-FQEVSTJZSA-N 438.531 5.092 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cnc(-c3ccc(F)c(F)c3)s2)c1C 503155592 FHPLZMNMXSUDNE-UHFFFAOYSA-N 435.459 5.015 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)NCc2ccc(Oc3ccccc3)nc2)c1 503449534 QHQRMSJESFQGGF-UHFFFAOYSA-N 435.483 5.255 30 20 IKED COCCSc1ccc([C@H](C)NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 504748854 DNXFVXIHGKOXPW-SFHVURJKSA-N 432.545 5.580 30 20 IKED C=CCCc1ccccc1NC(=O)N[C@@H](CC)c1ccccc1OCC(=O)N1CCCC1 505041251 ZTSHHTFKQWGWCH-QFIPXVFZSA-N 435.568 5.079 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NC(=O)CSCc3ccc(C#N)cc3)s2)cc1 505136078 PWHJTNHYNPTTPM-HNNXBMFYSA-N 437.590 5.109 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(C(=O)c3ccccc3)c2)cc1C 505384776 QXZHMUBHFFSIDN-UHFFFAOYSA-N 448.526 5.564 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 505923105 PWCBACTVZMZKQO-HXUWFJFHSA-N 446.860 5.085 30 20 IKED C[C@@H]1CN(Cc2ccc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)cc2)C[C@@H](C)O1 507896943 YBDWJKCRFPSCPD-WOJBJXKFSA-N 441.531 5.212 30 20 IKED COc1cccc(/C=C(/CC(=O)N(C)c2ccccc2C#N)c2nc3ccccc3s2)c1 508096094 KDNAXDFXLFQQNP-ZHZULCJRSA-N 439.540 5.770 30 20 IKED C=CCn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 508940426 YBVXFAIZGOUCBP-HXUWFJFHSA-N 445.350 5.024 30 20 IKED CC[C@H]1c2ccsc2CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509894432 BIQLXNPAKMJAHO-QHCPKHFHSA-N 431.561 5.934 30 20 IKED CC(C)c1ccc(CN(C)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 510081349 KPGGYWWZBWQBAM-UHFFFAOYSA-N 437.594 5.489 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)cc1 511031511 QRQYTBQKVGHJNB-UHFFFAOYSA-N 432.351 5.472 30 20 IKED CC(C)c1c(C(=O)NCCSCc2ccccc2C#N)cnn1-c1cccc(Cl)c1 512639972 MNGNZSQNWRILNX-UHFFFAOYSA-N 438.984 5.184 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2cc(Br)ccc2OCc2ccccc2)n1 513672171 OVTWQAVWJHYQBR-KRWDZBQOSA-N 427.323 5.283 30 20 IKED COc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1OC 515796763 OBNYAVOSMLPPCW-UHFFFAOYSA-N 437.883 5.343 30 20 IKED COc1cccc(Oc2ccc(NC(=O)N3CCCN(c4ccccc4C#N)CC3)cc2)c1 517749152 BRWFIJDIKBDLCB-UHFFFAOYSA-N 442.519 5.103 30 20 IKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2ccco2)c1)c1nc(-c2c(F)cccc2F)cs1 518871050 RNAPELJETHDLEL-HNNXBMFYSA-N 449.438 5.424 30 20 IKED CC(C)CN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)Cc1ccc(C#N)cc1 519908593 GBQMPNRNCTWSHB-QFIPXVFZSA-N 446.576 5.049 30 20 IKED COCCN(C(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](C)c1cccc(C(F)(F)F)c1 520170144 CPAYMJKWZSQLIE-CYBMUJFWSA-N 425.838 5.472 30 20 IKED CCN(CC)C(=O)c1cccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 522574600 BWXQNDWNAXTELM-UHFFFAOYSA-N 447.922 5.738 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 523454985 ZUMZHFBLQKCRCG-KCZVDYSFSA-N 436.625 5.455 30 20 IKED CCOC(=O)Cc1cccc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 524130329 OPPHAMKMPXIESO-UHFFFAOYSA-N 443.503 5.081 30 20 IKED CC(C)c1noc(-c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)n1 524379670 QRHKGLWUXWQQTO-UHFFFAOYSA-N 440.528 6.135 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(NC(=O)c3cccs3)c(C)c2)cc1 534626539 VLPSPGVRVPRDBE-UHFFFAOYSA-N 433.533 5.268 30 20 IKED N#Cc1ccccc1-c1ccc(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 537507460 YAODJIZYTCHPHV-UHFFFAOYSA-N 426.501 5.547 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3C(=O)c3ccccc3)n2)cc1 541203615 XWQZOBYDMYLTLU-JOCHJYFZSA-N 438.508 5.540 30 20 IKED C[C@H](NC(=O)N1CCC(n2cc(Cl)cn2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 543018031 TYXYQVKKXVFZJY-KRWDZBQOSA-N 433.943 5.183 30 20 IKED Cc1nccc(NCc2cccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)c2)n1 544645963 ZJQRFNMCXLOILU-UHFFFAOYSA-N 435.487 5.313 30 20 IKED N#C[C@@H](C(=O)c1ccc(N2CCCCCC2)nc1)c1nc(-c2c(F)cccc2F)cs1 546156052 PFSXTXMDBSZBJR-INIZCTEOSA-N 438.503 5.354 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CCOc2ccc(F)cc21 548080961 POTQXNRIBRHLIS-QHCPKHFHSA-N 431.467 5.230 30 20 IKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1Cl 548281603 PJHOZPPFLUCEEE-SFHVURJKSA-N 436.726 5.152 30 20 IKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1cc(F)ccc1F 548316323 BVCLONIACLSWGG-UHFFFAOYSA-N 429.263 5.099 30 20 IKED CC(C)C(=O)c1ccc([C@H](C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 554871277 RQJOGABPAHUGAB-SFHVURJKSA-N 439.515 5.391 30 20 IKED Cc1ccc2nc(C3CC3)cc(C(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)c2c1 560765849 PPQAPVGDSZBYQU-UHFFFAOYSA-N 429.495 5.115 30 20 IKED CC(C)(C1=CCCCC1)c1noc(C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 571130646 RGKLFTLJHADGSH-UHFFFAOYSA-N 433.512 5.351 30 20 IKED N#Cc1cc(Br)ccc1CNc1ccc(Cl)cc1NC(=O)c1ccco1 572799327 DQGAKKBPJPWFEB-UHFFFAOYSA-N 430.689 5.432 30 20 IKED C=CCn1c(Sc2nc(-c3cc(Cl)cc(Cl)c3)no2)nnc1-c1ccncc1 574113792 OZBGSNXVXLRAQP-UHFFFAOYSA-N 431.308 5.034 30 20 IKED Cc1c(C(=O)Nc2cccc(CN(C)Cc3cscn3)c2)sc2ccc(C#N)cc12 576721887 LYGBOFQPDTVVSI-UHFFFAOYSA-N 432.574 5.422 30 20 IKED CCO[C@H](c1noc(C2(c3cc(F)cc(C#N)c3)CC2)n1)c1ccc(F)cc1C(F)(F)F 582692293 WGVSLFAPTOERLU-SFHVURJKSA-N 449.379 5.444 30 20 IKED COCC[C@@](C)(C#N)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)cc1)CC2 589038878 FYJFRKGUDAIQTR-BUVIUBTMSA-N 445.950 5.424 30 20 IKED C[C@@H](Sc1ncnc2sc3c(c12)CCCC3)C(=O)Nc1sc2c(c1C#N)CCC2 597403478 AKLMZEPVMIVRKE-LLVKDONJSA-N 440.619 5.111 30 20 IKED Cc1ccccc1-n1ncc(C(=O)Nc2sc3c(c2C#N)CCCC3)c1C(F)(F)F 603564277 WDCFHPLAYGGUQV-UHFFFAOYSA-N 430.455 5.264 30 20 IKED Cc1ccc(Sc2ccc(NC(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2)cc1C 603649462 JYTDKBYRAFNMTE-UHFFFAOYSA-N 443.576 5.075 30 20 IKED C[C@@H](SCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1nc2ccccc2[nH]1 603765017 RKWDSRGPUBAZQG-OAHLLOKOSA-N 429.505 5.055 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1[N+](=O)[O-] 603838572 SVRUAKZFPNJGIV-AWEZNQCLSA-N 432.288 5.824 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(NC3CCCCC3)cc2)cc1C 604539357 KIGYKMNCLYIXHZ-UHFFFAOYSA-N 441.579 6.078 30 20 IKED CC[C@@H](C)n1ncc2c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cc(C)nc21 604566806 SZBACHFLKVCZPJ-MRXNPFEDSA-N 426.480 5.022 30 20 IKED C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccccc1O[C@@H](C)c1ccccc1 604674566 AMAILEGJYSIKAN-NRFANRHFSA-N 428.532 5.022 30 20 IKED CCO[C@@H](C)c1ncc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1 608552929 VJMHUCOVOQPEMI-ONGXEEELSA-N 425.457 5.359 30 20 IKED CCC[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1cccc(C(F)(F)F)c1 608865822 WLKCFTKKXJQHTG-LJQANCHMSA-N 431.458 5.103 30 20 IKED Cc1nc(-c2ccc(CNC(=O)c3ccc(COc4ccc(C#N)cc4)o3)s2)cs1 609055619 LEJFEJCEZPKVLU-UHFFFAOYSA-N 435.530 5.154 30 20 IKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1nc(C(C)(C)C)cs1 609296656 WRLJHXMDDGTJDP-QGZVFWFLSA-N 448.592 5.968 30 20 IKED Cc1cccc(COc2cccc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)c2)c1 609533424 JICPRDHOESXQJU-UHFFFAOYSA-N 441.531 5.240 30 20 IKED N#CCn1c(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3[nH]2)cc2ccccc21 609907615 QISUZVJKENXJLL-UHFFFAOYSA-N 425.879 5.614 30 20 IKED O=C(CCSCc1nc(O)c2ccccc2n1)Nc1cccc(C#Cc2cccs2)c1 610059791 QQKHMFKNPFQHLU-UHFFFAOYSA-N 445.569 5.059 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1 611362976 OKUFWWGEHNCPAD-HDICACEKSA-N 441.375 5.107 30 20 IKED CC(=O)c1ccc(OCCCC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1 614920453 UNKWGIPZHXDECZ-UHFFFAOYSA-N 430.529 5.386 30 20 IKED CCN([C@H](c1ccc(C(C)C)cc1)c1cccnc1)S(=O)(=O)c1cccc(CC#N)c1 619489728 HOHJLNFLUGURMI-RUZDIDTESA-N 433.577 5.071 30 20 IKED N#Cc1cc(NC(=O)N2CC(C3CCOCC3)C2)ccc1Oc1ccc(C(F)(F)F)cc1 619727383 LIJGRQVGGSEURR-UHFFFAOYSA-N 445.441 5.260 30 20 IKED C[C@H](NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(OC(F)F)cc1 642897767 CBVJFUZJUNYSEX-DLOVCJGASA-N 448.354 5.558 30 20 IKED O=C(NC[C@H]1CCCC[C@H]1C(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 673200879 KGXFIJAVGRWNST-DDHJBXDOSA-N 428.339 5.127 30 20 IKED O=C(CCCCC(=O)c1ccc(F)cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 681666915 DPBUAPBGNPZFHC-ZIAGYGMSSA-N 441.387 5.595 30 20 IKED C=CCn1c(COc2ccccc2OC)nnc1N1CCC[C@H]1c1nc2ccccc2s1 685532720 RTOUTNQOYZPOPY-SFHVURJKSA-N 447.564 5.003 30 20 IKED N#CCOc1ccc(CNC(=O)c2sc3cccc(F)c3c2COc2ccccc2)cc1 727677647 MJVGYPOVFKIWOA-UHFFFAOYSA-N 446.503 5.452 30 20 IKED COc1cc(C(=O)/C=C\c2ncc(-c3ccc(Br)cc3)[nH]2)ccc1SC 732713793 HDZJREPTTXNUCR-NTMALXAHSA-N 429.339 5.466 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)c1 733770478 BISYTCDIQWGCJC-GXNPVXLGSA-N 445.401 5.108 30 20 IKED Cc1cccc(COc2cccc(CC(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)c2)c1 734083044 KZNVLIXRELCFGA-QHCPKHFHSA-N 439.540 5.512 30 20 IKED CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 735001690 VBLNZSIUKNXWAP-UHFFFAOYSA-N 442.906 5.462 30 20 IKED C#CCN(C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1)C1CCCCC1 735585872 JHUKVEUDQSZDGH-SIKLNZKXSA-N 435.534 5.066 30 20 IKED Cc1cc(SCC(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)c(C)cc1Br 735791261 LQDLUMJUXDTMEX-CQSZACIVSA-N 428.355 5.219 30 20 IKED CN1/C(=C\C(=O)CSc2nnc(-c3ccc(Cl)s3)o2)C(C)(C)c2ccccc21 741477159 ZVJYJUSRPGCDTC-YBEGLDIGSA-N 431.970 5.424 30 20 IKED COc1ccccc1-c1ccc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)cc1 743283014 UEMSIJCKCHMNIW-HYARGMPZSA-N 428.538 5.640 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C[C@H](C)c1ccccc1C(F)(F)F 744029736 UOZABUZTQBRJFR-KXBFYZLASA-N 430.470 5.671 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(-c2cscn2)c1 744029957 YEOIIHBWWGEPQG-HXUWFJFHSA-N 439.496 5.564 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)C[C@@H](Cc1ccccc1)c1ccccc1 744031165 RTELKIILFULBCY-PKTZIBPZSA-N 426.516 5.149 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2cc(C3CC3)nc3ccc(F)cc23)cc1 745594454 SKYYVGJPKRPEIR-QGZVFWFLSA-N 445.494 5.052 30 20 IKED Cc1noc(C(F)(F)F)c1C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1 746166826 HRBXFMWXEPVIDP-UHFFFAOYSA-N 448.294 6.204 30 20 IKED C[C@@H](C=Nn1cnnc1SCc1ccc(Cl)cc1)c1cccc(Br)c1 747629375 BZVSRZBZQKLUQE-ZDUSSCGKSA-N 435.778 5.624 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1 750705554 NFZFFNREXFPDRK-UHFFFAOYSA-N 442.519 5.281 30 20 IKED COc1cc(/C=C\C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1OCC#N 750916967 QFUCOINFMOBXTR-RQOWECAXSA-N 429.316 5.531 30 20 IKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)O[C@H](C)C(C)(C)C#N 753613683 PMJAYLJNAZVWBP-ZIAGYGMSSA-N 441.578 5.167 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\COc3c(cccc3C(C)C)C2=O)cs1 753900060 HDHGOBVCFODGGS-LFIBNONCSA-N 436.508 5.749 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)c1 754108542 ZFFVYEWWEWBFQF-UXHICEINSA-N 441.959 5.022 30 20 IKED N#Cc1cccc(COc2ccc(NCc3noc(Cc4ccccc4)n3)cc2Cl)c1 754856948 GENAUYWLEUMQKM-UHFFFAOYSA-N 430.895 5.377 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc([N+](=O)[O-])cc1F 755641844 ZBPYJSXYPAIQOX-GXFFZTMASA-N 431.395 5.116 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)/N=C\c1ccc(O)c(O)c1O 757524835 CEEMVNULLSTRRY-INRAOFHCSA-N 433.327 5.178 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\CCOc3cc(C)ccc3C2=O)cs1 763116612 LBBAHPNHVRAQEH-FOWTUZBSSA-N 438.936 5.838 30 20 IKED CCc1nn(C)c(Cl)c1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 767433570 UEVJQWMYZORVKD-LLVKDONJSA-N 439.755 5.556 30 20 IKED C[C@H](OC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 767637486 PQXHWPZPTZDIFG-ZDUSSCGKSA-N 445.397 5.089 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1 768867089 AEZWCKUSPWXECT-YADHBBJMSA-N 441.428 6.296 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H](C)Oc1cccc2ccccc12 769350231 APSVBFRIAYLPSI-ROUUACIJSA-N 448.544 5.183 30 20 IKED COc1ccc(C[C@H](NCc2cc(Cl)ccc2OCC#N)c2ccccc2)cc1OC 775322221 SYWBCFPEPPTFBI-QFIPXVFZSA-N 436.939 5.333 30 20 IKED N#Cc1ccc([C@H](O)C(=O)Nc2ccc(Oc3ccnc4cc(Cl)ccc34)c(F)c2)cc1 780926377 BGRYKWDJIRRYNJ-QHCPKHFHSA-N 447.853 5.363 30 20 IKED CC(C)(C)Sc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 784252482 QVCHCSVKZLLFMZ-UHFFFAOYSA-N 446.532 5.213 30 20 IKED N#C[C@@H](C(=O)Cc1cc(Cl)cc2c1OCC2)c1nc2cc(C(F)(F)F)ccc2s1 784493951 XFBFCBWRNPIHSL-AWEZNQCLSA-N 436.842 5.322 30 20 IKED C[C@@H](N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc(OCC#N)cc1 788984751 MYERJTYTGPOZPC-UZUQRXQVSA-N 436.353 5.381 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CC[C@@H](C(F)(F)F)C(C)(C)C2)c1=S 790461271 SPKKUVPBNYVZOQ-QGZVFWFLSA-N 440.535 5.144 30 20 IKED Cc1cc(=O)oc2cc(N(C)C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)ccc12 805351279 FQFNSGMKSDTAQG-UHFFFAOYSA-N 444.874 5.695 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(Cc2ccccc2Cl)CC2CC2)ccc1OC 806806991 SIBRLCUZXPBNHT-HXUWFJFHSA-N 441.959 5.151 30 20 IKED CC(=O)N(c1nc(C=NNc2c(C)cccc2C(C)C)cs1)c1ccc(F)cc1F 812232392 GHLNCRMDAAAXLI-UHFFFAOYSA-N 428.508 5.984 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])s2)cc1 812858709 CNGLIKHJPPMEMW-UHFFFAOYSA-N 433.276 5.073 30 20 IKED N#C[C@@H](C(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1)c1cc(C(F)(F)F)ccn1 813214140 TWBLDZVHPFXNFK-WIYYLYMNSA-N 430.426 5.949 30 20 IKED CC(=O)N[C@@H](CC(=O)N1CCCSC1=Nc1ccccc1C(C)C)c1cccs1 821731484 BOCKNDIQVFJIMK-IBGZPJMESA-N 429.611 5.092 30 20 IKED COc1ccc(C(C)=NNc2ncc(C(F)(F)F)cc2Cl)cc1CN1CCCC1 916286393 AUMVWEUZXZBTMD-UHFFFAOYSA-N 426.870 5.194 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCSCc2ccccc2)cc1 916721065 UXQZKZKBTCHRBF-UHFFFAOYSA-N 431.561 5.387 30 20 IKED CCOc1c(Cl)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1OC 916927174 DWKTWDRIMHKAHC-GFCCVEGCSA-N 441.698 5.015 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2cccs2)n1)C(=O)Nc1ccc(Cl)cc1Cl 916927908 FIZSIFNYDOWTFE-GFCCVEGCSA-N 436.345 5.068 30 20 IKED CCCCc1oc2ccccc2c1/C=C\C(=O)[C@@H](C#N)C(=O)Nc1ccc(OC)c(OC)c1 916935597 TVPUFQXXBUGTHU-GHYICZDASA-N 446.503 5.153 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1ccc2ccccc2c1)C(=O)Nc1cc(Cl)cc(Cl)c1 916944707 LIFCYSFDFABLBM-HXUWFJFHSA-N 439.298 5.457 30 20 IKED CCCCCC[C@@H](C)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 918240028 YNYFPXQAWSYSQZ-DYESRHJHSA-N 425.960 5.409 30 20 IKED C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 918382006 NYYLXDXAVQACKZ-MRXNPFEDSA-N 443.890 5.458 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc4ccccc4cc3NC(=O)C3CC3)cn2)cc1 920474528 GSZSXBQLZHJRCL-UHFFFAOYSA-N 448.482 5.500 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)cc3C(F)(F)F)CCC2)cc1 1785937859 WJOWWTREIHGGOD-UHFFFAOYSA-N 447.432 5.142 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)CCc3ccccc3C)CCC2)cc1 1786370003 JEKPQVMZJHTHDL-UHFFFAOYSA-N 434.580 5.045 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)CCc3cccc(C)c3)cc2)CCC1 1786614218 DGHKMYLNBXQESS-UHFFFAOYSA-N 434.580 5.045 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(OC)cc3)CCC2)cc1 1789451605 NQTAFIPWMJCUCY-DEOSSOPVSA-N 432.564 5.140 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3ccoc23)[C@H]1c1cccnc1 1810502821 MIBZKFFCUKWAIW-GGAORHGYSA-N 445.563 5.140 30 20 IKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1 1813227550 GLEMESJGFOKVGE-OZXSUGGESA-N 439.644 5.278 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C(C)=C/c2ccc(C)o2)[nH]n1 1819307571 WMCVDJUVWPCARA-OGMGGFLFSA-N 436.556 5.175 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2onc3ccccc23)CC1 1823753401 MNFXYSXEQUMLDR-QFIPXVFZSA-N 437.584 5.054 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3sccc3[nH]2)CC1 1824141902 ABOOKUJSFSKJMC-QFIPXVFZSA-N 439.625 5.231 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3CCCCC3)CC2)c1 1826284375 MSYDDAWUUCXYTP-CJFMBICVSA-N 435.612 5.127 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(F)c2C)CC1 1828824138 KPOBONWOYPTNRV-ZJSXRUAMSA-N 426.576 5.136 30 20 IKED CC(C)=CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1830258105 AJCPNQHSJHMWEL-BWKNWUBXSA-N 435.612 5.293 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCc3cccc(Cl)c32)CC1 1831226426 VOCFEVBKTJLOAL-ZEYPLWLESA-N 443.031 5.202 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 1831858649 CAZPJSRWHJSVMG-GOSISDBHSA-N 431.001 5.364 30 20 IKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 1831861834 ZDZLQJLHDFGEDH-NRFANRHFSA-N 449.422 5.221 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(C(C)C)cc2)CC1 1832034943 YIVSIXUCKQJVJN-AREMUKBSSA-N 436.640 5.166 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(C)c(F)c2)cc1 11083189 PBRZALJFPXKNQO-UHFFFAOYSA-O 447.599 5.914 30 20 IKED C=CCn1c(S[C@H](C)c2nc(N)c3c(C)c(C)sc3n2)nnc1-c1cccc(C)c1 11177273 IXOCDCBICPUADD-OAHLLOKOSA-N 436.610 5.497 30 20 IKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(CCC)cc3)cs2)nnc1C1CC1 21163546 QMFHPPLSWCPNFE-UHFFFAOYSA-N 439.610 5.148 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1cccc(C)c1 22212610 GOLCVNFCYZVLPR-CQSZACIVSA-N 447.391 5.866 30 20 IKED C=CCn1c(SCC(=O)N2[C@@H](C)CCC[C@H]2C)nnc1-c1ccc(Cl)cc1Cl 22879673 PXSDWKCBMZSMHR-OKILXGFUSA-N 439.412 5.320 30 20 IKED C=CCn1c(SCCCc2nc(-c3cccs3)no2)nnc1-c1ccc(F)cc1 27360774 RAAHYTFMTXWFAC-UHFFFAOYSA-N 427.530 5.107 30 20 IKED Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cccc(OCC#N)c3)[C@H]2c2cccs2)cc1 107966433 UBCXRNSGUQIWEF-QPPBQGQZSA-N 445.544 5.082 30 20 IKED CCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cnn1-c1ccc(F)cc1 303123916 ASWHZFPAJTZYSF-UHFFFAOYSA-N 440.478 5.277 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 303127349 BGODSBANVIQTCJ-UHFFFAOYSA-N 447.947 5.534 30 20 IKED C[C@@H](NC1(CNC(=O)c2ccc(COc3ccccc3C#N)o2)CCCC1)c1ccccc1 303361968 JIVVKPWRLUZXIO-HXUWFJFHSA-N 443.547 5.124 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)c3ccn(-c4cccc(C#N)c4)n3)s2)cc1 409726461 KUQCNSKPFZTGOV-GOSISDBHSA-N 441.560 5.318 30 20 IKED C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 428788268 MCRXKRSECISXSD-XJKSGUPXSA-N 429.307 5.129 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1)c1ccccc1 432667106 FWKCYVZODIJOTE-HSZRJFAPSA-N 443.503 5.551 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CCSc1ccnc2cc(Cl)ccc12 434008982 TWKVUZJFICFKBW-OAHLLOKOSA-N 442.009 6.261 30 20 IKED CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 435289961 PGDVVBFXJMLEDV-KKSFZXQISA-N 427.545 5.014 30 20 IKED N#Cc1cccc(C2(C(=O)Nc3ccc(C(=O)N4CCC[C@H]4c4ccccc4)cc3)CC2)c1 435360717 BFZRLNJWRHUDRE-VWLOTQADSA-N 435.527 5.206 30 20 IKED CC[C@@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 435656121 QXYIRDSBKUJOQT-JOCHJYFZSA-N 429.520 5.464 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(Oc3ccccn3)c2)cc1 437472451 YXRNQHYANIILPX-UHFFFAOYSA-N 437.524 6.290 30 20 IKED C[C@@H](Nc1cccc(OCCCC#N)c1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 439564472 QLQPYNAZYDIEEZ-GOSISDBHSA-N 435.524 5.240 30 20 IKED N#CCC[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1 439666879 QGLWSNHTSBTWMP-LJQANCHMSA-N 428.319 5.742 30 20 IKED CC(C)Oc1ccc(-c2cccc([C@H](C)N(C)C(=O)C(=O)Nc3ccc(C#N)cc3)c2)cc1 442082570 QZAAOGMPZIWLAR-IBGZPJMESA-N 441.531 5.171 30 20 IKED C=CCn1c(SCC(=O)N2CCCC23CCC3)nnc1-c1ccc(Cl)cc1Cl 444617477 MGEBJYNRQSWNPA-UHFFFAOYSA-N 437.396 5.075 30 20 IKED N#C[C@H]1N(Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)CCC[C@@]12CCCCO2 447900163 AFJPLIYKHKIHEX-NOZRDPDXSA-N 434.971 5.165 30 20 IKED C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 460784039 QTGRSNQEPFHSTQ-HYDGNGQDSA-N 428.989 5.109 30 20 IKED N#Cc1ccccc1Oc1ccc(NCC(=O)Nc2ccccc2C(F)(F)F)cc1F 463229390 CZGTYJUTVXKLCY-UHFFFAOYSA-N 429.373 5.559 30 20 IKED CSc1cccc([C@H](NC(=O)CSc2ccc(C#N)cc2)c2ccc(F)c(F)c2)c1 464114387 KTIBNRQHPAQHMS-QHCPKHFHSA-N 440.540 5.556 30 20 IKED Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)c1ccc(COc2ccccc2C#N)o1 470271083 QPEYDONXUXUKMU-LJQANCHMSA-N 428.410 5.462 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@@]1(C#N)CCc2ccccc2C1 472275734 JJGRYOIECJVNQN-DEOSSOPVSA-N 449.963 5.143 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(Br)cc2C(F)(F)F)cc(OC)c1OC 475055242 UCJOKRDODIKVOM-UHFFFAOYSA-N 444.247 5.466 30 20 IKED CCc1onc(-c2ccccc2)c1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 475120533 FQBPKWVFOGBJPS-UHFFFAOYSA-N 447.545 5.172 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)Sc1ccccc1S(=O)(=O)CCC 476120903 FCZVBNYBBCBUNE-SFHVURJKSA-N 445.650 5.842 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)c3cc4sc(N5CCCC5)nc4s3)n2)c1 476412479 IRRMMAFXKFPINC-UHFFFAOYSA-N 437.575 5.205 30 20 IKED COc1ccccc1Oc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1 477215859 BDPICEBIGMMCKZ-UHFFFAOYSA-N 429.520 5.479 30 20 IKED COc1ccc(CN[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cc1OCCCC#N 478234418 MTFLYAPSLVLNDE-KRWDZBQOSA-N 434.367 5.053 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3csc(-c4ccccc4OC)n3)o2)cc1 479794285 DLTNSNSBZGKQFB-UHFFFAOYSA-N 437.546 5.726 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCCCOC3CCCCC3)cc2F)c1 481654991 HQRJCZPYNABSHC-UHFFFAOYSA-N 425.504 5.137 30 20 IKED CCOc1ccc(-c2nc(CC)c(C(=O)[C@H](C#N)c3nc4ccccc4n3C)s2)cc1 483434365 DAWQIDMZDLMBET-KRWDZBQOSA-N 430.533 5.148 30 20 IKED Cc1ccccc1NC(=O)[C@H]1CCc2ccccc2N1C(=O)C[C@@H](CC#N)c1ccccc1 483459652 FTCJLBNYRPLNSJ-ZEQKJWHPSA-N 437.543 5.369 30 20 IKED C=CCSc1ccccc1C(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 486421558 XKXBOWNRNAOSIX-OAQYLSRUSA-N 432.593 5.169 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnc(-c3ccsc3)s2)cc1 487060220 AEYZPFJNEQZXEN-UHFFFAOYSA-N 433.514 5.796 30 20 IKED C=CCN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1cc(OC)c(OC)c(OC)c1)CC2 491039346 TWZGTDLWBMWIJP-JXAWBTAJSA-N 444.531 5.005 30 20 IKED CC(C)CN(C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1ccc(C#N)cc1 500240763 PHRUAPURWVLUKA-HSZRJFAPSA-N 439.559 5.253 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 501859589 DGWUZOFEIKKDFX-HSZRJFAPSA-N 441.510 5.540 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2ccc(OCc3cccc(F)c3)c(F)c2)c1 502538348 PENGRMYPFUDTLN-UHFFFAOYSA-N 437.446 5.870 30 20 IKED C=CCN(C(=O)CCc1c(C)noc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502959697 CTVOPXXBAMLVAI-UHFFFAOYSA-N 436.364 5.874 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2OCc2cscn2)o1 503471897 SSPVVSAAIRTUTG-UHFFFAOYSA-N 431.473 5.018 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3cnn(-c4cccc(C(F)(F)F)c4)c3)CC2)cc1 503499028 QJNJNWVNNOIOPQ-UHFFFAOYSA-N 437.425 5.084 30 20 IKED C=CCOc1ccc(C(=O)N(C)[C@@H]2CCSc3ccc(Br)cc32)cc1OC 505971522 QAIFNAHKULOERB-QGZVFWFLSA-N 448.382 5.332 30 20 IKED C=CCN(C(=O)Cc1ccc(OCc2ccccn2)cc1)c1nc(-c2ccccc2)cs1 507057856 VTJVOUQFTNIYFW-UHFFFAOYSA-N 441.556 5.546 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1nc(-c2ccncc2)cs1 512981394 PFZNYJIVIHAOIN-MRXNPFEDSA-N 445.525 5.195 30 20 IKED COc1ccc(NC(=O)c2cccc(CC#N)c2)cc1NC(=O)c1ccc(Cl)cc1F 515689897 UOEHXYUNXGXLTB-UHFFFAOYSA-N 437.858 5.058 30 20 IKED C[C@@H](Nc1cccc(COCC(F)(F)C(F)F)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 515717782 VGISNHCABVPLBL-GFCCVEGCSA-N 443.828 5.068 30 20 IKED Cc1oc(-c2cccs2)nc1CSCC(=O)Nc1ccccc1SC[C@@H](C)C#N 517459887 XMWQAXYCWZJNCX-AWEZNQCLSA-N 443.619 5.835 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 518738839 BFTOKNZLCANUTM-OAHLLOKOSA-N 425.941 5.961 30 20 IKED Cc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cs2)o1 518870179 XBLCTAJHILDHRW-NSHDSACASA-N 427.457 5.603 30 20 IKED C[C@H]1CCCN(Cc2ccc(CNC(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)C1 521261249 OOMOKAHUVNXQKI-VQTJNVASSA-N 436.625 5.492 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)s2)cc1 521702814 LLSIYCZWVJHJLY-IBGZPJMESA-N 432.593 5.980 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 523456176 UMOGAGYOFQGLFL-WMZOPIPTSA-N 425.529 5.347 30 20 IKED Cc1nc(-c2ccc(CCNC(=O)Nc3cc(C#N)ccc3OC(F)F)s2)cs1 524434873 PVQIOINRPDQXSN-UHFFFAOYSA-N 434.493 5.017 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccccc1OC(C)C 524442361 FAWKQEFBPWSQLX-UHFFFAOYSA-N 429.520 5.555 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N[C@@H]3C[C@@H]3c3c(F)cccc3Cl)s2)cc1 525439755 JAORXBFJEHDZTE-MAUKXSAKSA-N 426.904 5.076 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc4c(cc3F)NC(=O)CC4)cc2Cl)c1 532618199 QULQDIJEMNAWQP-UHFFFAOYSA-N 449.869 5.067 30 20 IKED CN(C(=O)Cc1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)cc1)c1ccccc1 532890697 YFXYIPLYRLLDGB-UHFFFAOYSA-N 449.558 5.281 30 20 IKED C=C[C@@H](CC(=O)Nc1nc(-c2ccc(CCCNC(C)=O)cc2)cs1)c1ccccc1 533940992 DQPYUUATZJPXQS-FQEVSTJZSA-N 433.577 5.177 30 20 IKED CCc1nnc(-c2cccc(NC(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)c2)o1 534159120 CJSREPIXQGGVIG-UHFFFAOYSA-N 444.878 5.869 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1Cl 534872011 HDQHOGIJQYXOEU-UHFFFAOYSA-N 431.879 5.605 30 20 IKED COc1cccc([C@H]2C[C@H](C)CN2C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1 542385598 MGARLJHIFDYBDL-YCRPNKLZSA-N 435.915 5.021 30 20 IKED C[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(-c2cccc(C#N)c2)cc1 542943635 PREKYIQZQZBZFL-MRXNPFEDSA-N 425.448 5.034 30 20 IKED C=C(C)Cn1c(SCc2nc(Cc3cc4ccccc4o3)no2)nnc1-c1ccco1 551523607 GLFBMIJZCXZBEA-UHFFFAOYSA-N 433.493 5.127 30 20 IKED C[C@H](Cc1cncc2ccccc12)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 553955589 LQQRIVNRMQQFOH-HXUWFJFHSA-N 435.527 5.697 30 20 IKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H](c1ccccc1)N(C)C 554172014 JLCXNFVQJXJSHL-IBVKSMDESA-N 442.563 5.145 30 20 IKED C[C@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccc3ccccc3c2)n1Cc1ccccc1 567253970 VXVZHDCWXRDLQA-WOJBJXKFSA-N 425.536 5.215 30 20 IKED CN(C(=O)c1ccc(Cl)c(NC(=O)CSCc2ccc(C#N)cc2)c1)c1ccccc1 571482789 GJLQRUJLRNUHTH-UHFFFAOYSA-N 449.963 5.360 30 20 IKED CCSc1cccc(Br)c1NC(=O)N(C)CCOCc1ccc(C#N)cc1 577150193 SBTUJIQJXCQWPF-UHFFFAOYSA-N 448.386 5.113 30 20 IKED C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H]1c1cc(OC)ccc1OC 578101003 MQUFRPHPYGWRJG-JOCHJYFZSA-N 441.535 5.038 30 20 IKED C=CCN(C(=O)Nc1c(CC)ccc(Cl)c1CC)[C@H](C)c1cccc(-n2cnnn2)c1 596340813 FJJBGOZODCFSEC-MRXNPFEDSA-N 438.963 5.222 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1Cl 603765881 BKCNQYOVVFZQGS-VQTJNVASSA-N 433.870 5.199 30 20 IKED C[C@@H](Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cn1)c1ccccc1 604005403 CAKDGUZBPQJEQQ-OXQOHEQNSA-N 426.501 5.230 30 20 IKED Cc1ccc(COc2ccc(C[C@@H](C)NC(=O)N(C)Cc3cccc(C#N)c3)cc2)cc1 608913906 FYUBKZOLENXHGK-OAQYLSRUSA-N 427.548 5.218 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)CCc3nc(-c4ccc(Cl)cc4)no3)c2C#N)C1 609052918 IFSGSRPUFYHXBW-GFCCVEGCSA-N 426.929 5.019 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccccc1F)C1CC1 609078746 MJUBBUDCYVVKDG-UHFFFAOYSA-N 429.495 5.781 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCCO[C@H](c4ccccc4)C3)cc2Cl)cc1 609252518 PMTIBAPBYRQUOC-DEOSSOPVSA-N 447.922 5.999 30 20 IKED CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609427122 QIVIJWXULKOFSP-HSZRJFAPSA-N 447.922 5.397 30 20 IKED Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609437437 WPPCXTVJXOZWTB-JOCHJYFZSA-N 443.503 5.020 30 20 IKED CCN(C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H](C)c1cc2ccccc2o1 609438936 ZJEPHKFOOIUXTK-SJORKVTESA-N 435.549 5.375 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)cc2)cc1 609523466 XRDKWCJGHBVJSB-JOCHJYFZSA-N 436.298 5.846 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CNc2ccc(C(F)(F)C(F)(F)F)cc2)cc1 610738478 UFEAEVJWCXJQHX-UHFFFAOYSA-N 441.400 5.098 30 20 IKED CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)[C@H]1CCCc2c1cnn2C 610973216 ZWFSBAMRDDKUML-FQEVSTJZSA-N 435.915 5.279 30 20 IKED C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cccc(NC(=O)Cc2ccccc2F)c1 611390714 QEBSIXIZMDPXAX-WXTAPIANSA-N 427.523 5.607 30 20 IKED C=CCn1c(SCc2ccc(C#N)cc2Br)nnc1-c1ccccc1OC 611491501 UDQWLCJMNPZPTO-UHFFFAOYSA-N 441.354 5.066 30 20 IKED COCCN(CCC#N)C(=O)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1 614942531 PXFBZMIPDWCDBK-UHFFFAOYSA-N 430.917 5.136 30 20 IKED N#Cc1c(N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)nc2c(c1C#N)CCCCCC2 619477629 PXGLEIQHRMAKIG-BETUJISGSA-N 430.396 5.051 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)ccc1Br 642158371 RAAYDUVTSBNGGZ-MBTKJCJQSA-N 436.165 5.228 30 20 IKED N#C[C@H](C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1nc2ccccc2n1C(F)F 642282356 HJAMPDXGVVIVKR-GOSISDBHSA-N 445.429 5.565 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC(CC(F)(F)F)CC1 672732622 PTACXGVIAMWMPL-GHMZBOCLSA-N 428.339 5.270 30 20 IKED O=C(Nc1ccccc1CCC(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 674986969 ALKYBUILFRHHBR-TXEJJXNPSA-N 436.318 5.776 30 20 IKED CC(C)(C)OCc1ccccc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 678640653 NZBJHPAELIVFSF-INIZCTEOSA-N 432.467 6.120 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(Br)cc1)c1c(F)c(F)cc(F)c1F 680415185 WKXBWHGQQXNSHX-NSHDSACASA-N 444.144 5.429 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(-c2ccc(OC)cc2)cc1F 730177730 RWGFNLCAESLVNV-UHFFFAOYSA-N 425.463 5.250 30 20 IKED COc1cccc([C@@H](C#N)NC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)c1OC 730221376 LSPCXEQNFCZXJF-MRXNPFEDSA-N 444.459 5.028 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 731060031 PSWZJRJQYUMLEH-LJQANCHMSA-N 444.556 5.330 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 731399446 CITDTEUZGPSFSR-BEFAXECRSA-N 433.499 6.469 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(Oc3ccc(F)cc3)cc2)ccc1OC 733231833 JLEIQOUKPAZMIL-FQEVSTJZSA-N 434.467 5.238 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Oc2cccc(NC(=O)c3cccs3)c2)cc1OC 734116768 LDVDKOIUROGWLA-ZRDIBKRKSA-N 435.501 5.193 30 20 IKED COC(=O)N(C)c1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 735004410 AEYPOFYAKQDFGX-UHFFFAOYSA-N 435.867 5.459 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@]2(Cc3ccc(Cl)cc3)C[C@H]3CC[C@H]2C3)n1 735768064 QDRXRWKMLKEYDZ-YQNCCBLMSA-N 442.968 5.199 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3nc(-c4ccccc4F)oc3C)n2)cc1 739158742 FLDXUNGKGXDSDW-KRWDZBQOSA-N 433.464 5.411 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1 740434183 AATKAWXIEXZKRR-DEOSSOPVSA-N 428.492 5.395 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1nc(-c2ccccc2)cs1 741430778 MJIKUEIWRVEZAI-BRWVUGGUSA-N 428.435 5.689 30 20 IKED COc1ccccc1-c1ccc(CN(C(=O)Nc2cccc(OCC#N)c2)C(C)C)cc1 743104079 YBDGKOMDQJAQAQ-UHFFFAOYSA-N 429.520 5.707 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1ccc(OCc2ccccc2F)cc1 743473628 PDQNNZDDOJGARI-LJQANCHMSA-N 447.510 5.161 30 20 IKED COc1ccc2sc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c(C)c2c1 744073304 CTJAXTFVPWAFRP-AWEZNQCLSA-N 440.496 6.110 30 20 IKED COc1ccc(-c2csc3ncnc(NN=C(C)c4nc5ccccc5n4C)c23)cc1 744754902 DJDJHAWDCTWIQQ-UHFFFAOYSA-N 428.521 5.090 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Br)nc2)cc1Cl 746515559 QZECXTXHJBYXIN-QGZVFWFLSA-N 426.701 5.405 30 20 IKED C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccc(F)cc1F 752477183 LQAZCLFJUKDCMQ-JXFKEZNVSA-N 434.442 5.598 30 20 IKED C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCC(C3CCOCC3)CC2)c1=S 752806015 URPOXIGCQCXZJM-UHFFFAOYSA-N 433.021 5.017 30 20 IKED Cc1cc(/C=C/C(=O)c2cc(Br)ncc2F)cc(C)c1OCc1ccccn1 762422894 BKZXMXFGKPSFEX-VOTSOKGWSA-N 441.300 5.470 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ccccn2)n1)c1nc2cc(C(F)(F)F)ccc2s1 768782377 PXHBASOZDNPQEW-LLVKDONJSA-N 430.436 5.324 30 20 IKED COc1ccc2cc([C@H](C)C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)ccc2c1 770839806 CBLPSQPFVCCERE-QMHKHESXSA-N 437.524 5.824 30 20 IKED N#C[C@@H](C(=O)CC1(CSc2ccccc2)CC1)C(=O)Nc1ccc(SC(F)F)cc1 770840359 SQCUVCWNGFKUHZ-SFHVURJKSA-N 446.544 5.611 30 20 IKED CC(C)(C)C[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1ccc(Cl)cc1 775454235 IEDMMINONUTPDI-TZIWHRDSSA-N 432.955 5.644 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(F)cc3Br)n2)cc1 777298201 QZIRXOJTFNIJQQ-INIZCTEOSA-N 440.297 5.002 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NN[C@H](Cc2ccccc2)C(C)C)cs1 777448354 NPOYKGLVUZFVMI-JOCHJYFZSA-N 441.000 5.672 30 20 IKED CC(=O)N1C/C(=C\c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)C(=O)c2ccccc2C1 778520381 VNMXRNDNQOYAFD-DEDYPNTBSA-N 428.444 5.016 30 20 IKED CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccc(C#N)cn2)cc1 780555769 RVSCDDRYSFISLP-UHFFFAOYSA-N 437.547 5.131 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 780668483 WVGJEZKXNBEMID-SFHVURJKSA-N 449.530 5.383 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 784322771 GRGOSKBSLKHMBP-QUCCMNQESA-N 431.458 5.085 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc2ccccc2n1CC(F)(F)F 786310261 HSOPSPZAAGHQRP-GOSISDBHSA-N 441.453 5.290 30 20 IKED C#CCOc1ccccc1NC(=O)N1CCC(c2nc(-c3ccccc3OC)cs2)CC1 792400272 FRNWTZQRLHATCW-UHFFFAOYSA-N 447.560 5.242 30 20 IKED CC(C)c1ccc(N2Cc3ccc(NS(=O)(=O)c4cccc(CC#N)c4)cc3C2)cc1 794592675 MFBRKGPGXBTJFH-UHFFFAOYSA-N 431.561 5.197 30 20 IKED CC(C)(C(=O)OCc1nnc(-c2c(Cl)cccc2Cl)o1)c1cc(F)cc(C#N)c1 803924491 ITCMIZNCBRDGFA-UHFFFAOYSA-N 434.254 5.075 30 20 IKED Cc1nn(-c2ccccc2)c2nc(Cl)c(C=NNCc3cccc4cccnc34)cc12 814804007 VOOZOHYEJVNAMM-UHFFFAOYSA-N 426.911 5.054 30 20 IKED Cc1ccc(Sc2ccc(C=Nn3c(S)nnc3-c3ccco3)cc2[N+](=O)[O-])cc1 916318859 MZOKUPQPJAIKRX-UHFFFAOYSA-N 437.506 5.077 30 20 IKED COc1cc(NC(=O)c2ccccc2-c2ccccc2C#N)ccc1NC(=O)OC(C)(C)C 916431444 GHTWCECPIQJVGL-UHFFFAOYSA-N 443.503 5.833 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(CN4CCCCC4=O)cc3)n2)cc1 916974995 UQBSZGXGOYRELF-NRFANRHFSA-N 429.545 5.121 30 20 IKED Cc1ccc(-c2nc(CC(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cs2)cc1 920140190 CNEZLYQIUZYSTC-FQEVSTJZSA-N 440.553 5.533 30 20 IKED Cc1ccc(NC(=O)[C@H](OC(=O)c2ccccc2OCC#N)c2ccccc2)cc1Cl 920414526 UXZSKSULCXLXSO-JOCHJYFZSA-N 434.879 5.088 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ncc(Cl)cc3Cl)cc2)CCC1 1785790496 BQKONNVMQHIQBJ-UHFFFAOYSA-N 444.362 5.330 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)CCOc3ccc(C)cc3)cc2)CCC1 1785970207 XZVSUCJIWQOUQF-UHFFFAOYSA-N 432.564 5.092 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4ccc(OC)cc4[nH]3)cc2)CCC1 1788975179 VUSPWXMRWWGMBU-QGZVFWFLSA-N 431.536 5.136 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cccc(Cl)c3OC)CCC2)cc1 1791301225 ULVSPBPFUOPKBL-UHFFFAOYSA-N 448.897 5.308 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)Cc3cnc(C)s3)cc2)CCC1 1791835753 UHHPTLKRIZXYEM-UHFFFAOYSA-N 425.598 5.121 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cccnc3SCC)CC2)C1 1804857554 HTQZIDUOTZODLP-UHFFFAOYSA-N 443.657 5.031 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3sccc3s2)n[nH]1 1819031089 ZYXUFGPHLMLJTA-INIZCTEOSA-N 440.594 5.185 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(C)(C)C)cc2)[nH]n1 1821924407 ATMCDQLHHNWXKF-UWJYYQICSA-N 438.572 5.105 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(C)c3ccccc23)n[nH]1 1823603822 JOEUBPVYTPOWLJ-HSZRJFAPSA-N 430.552 5.072 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)cc2OC)CC1 1823755345 VVXJSPRBXVXRQB-JOCHJYFZSA-N 444.591 5.060 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C)c2F)CC1 1823901201 PGKVLBATNUQSMS-HSZRJFAPSA-N 426.576 5.136 30 20 IKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCCC(C)(C)C)CC1 1824500487 KFPSFFADJKMXNZ-XMMPIXPASA-N 448.692 5.586 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccoc3cn2)CC1 1829068838 SVDJTGZAATUHKS-QFIPXVFZSA-N 437.584 5.054 30 20 IKED C=CCn1c(SCc2csc(CC(=O)Nc3ccccc3C)n2)nc2ccccc21 11651074 CNQYDANOGATICZ-UHFFFAOYSA-N 434.590 5.461 30 20 IKED CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)Nc2cccc(C#N)c2)c1=S 15659085 LOZOGKKJOZWKFT-UHFFFAOYSA-N 439.972 5.435 30 20 IKED C[C@H](Sc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)C(=O)Nc1cccc(C#N)c1 28852413 GOGOKUIQBHTEAM-INIZCTEOSA-N 443.507 5.064 30 20 IKED N#Cc1cccnc1N1CCN(C(=O)Nc2ccc(Sc3ccc(Cl)cc3)cc2)CC1 57766319 CMTHKGQVJKQVNG-UHFFFAOYSA-N 449.967 5.112 30 20 IKED N#CCCn1ncc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1-c1ccccc1 428739992 STLPBHDSPIXJPI-UHFFFAOYSA-N 433.471 5.380 30 20 IKED CCCc1c(NC(=O)N2CC[C@](C)(c3ccc(F)cc3)C2)cnn1-c1cccc(C#N)c1 432584471 OZURCIGYUQWTCW-VWLOTQADSA-N 431.515 5.031 30 20 IKED N#CCCn1cc(CNc2ccc(-c3cccc(C(F)(F)F)c3)cn2)c(-c2ccncc2)n1 432756569 YXALOCWZCSDQCP-UHFFFAOYSA-N 448.452 5.552 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] 432872078 KQDOFZATARNTJK-UHFFFAOYSA-N 444.491 5.411 30 20 IKED Cc1nc(-c2ccc(CCNC(=O)c3cn(CCCC#N)c4ccccc34)s2)cs1 435435751 BZANKPKMCMRRFA-UHFFFAOYSA-N 434.590 5.411 30 20 IKED COc1ccc(-c2ncc(C(=O)Nc3ccccc3SCCC#N)s2)cc1OC 435873675 FIWNIDYXYNEBKV-UHFFFAOYSA-N 425.535 5.085 30 20 IKED C=CCn1c(SCc2noc(-c3ccc(F)cc3F)n2)nnc1-c1cccc(C)c1 436039045 AAUWWTFEFXKZHE-UHFFFAOYSA-N 425.464 5.060 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 436324938 MVCAEVWYTVYPCB-XUZZJYLKSA-N 425.463 5.402 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 436341561 SVDPBHSOHWLGND-ZVZYQTTQSA-N 433.499 6.167 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c1 439535079 FVXVTEKDZXNQHZ-UHFFFAOYSA-N 440.286 5.021 30 20 IKED CCCc1c(NC(=O)N(C)[C@@H]2CCCc3nc(CC)sc32)cnn1-c1cccc(C#N)c1 439704123 RSRFGSVZTRPSJB-OAQYLSRUSA-N 448.596 5.257 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2c(Br)sc(C)c2C)c1C#N 440433138 WAWCPFXKSIWXEX-UHFFFAOYSA-N 447.383 5.159 30 20 IKED CC(C)c1nn(C)c2sc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc12 442868157 BPSJSHKWECJPDX-MRXNPFEDSA-N 431.546 5.243 30 20 IKED COc1cccc(-c2noc([C@@H](C)NCCC(C#N)(c3ccccc3)c3ccccc3)n2)c1 444688240 IWPPENAOWRGNMX-HXUWFJFHSA-N 438.531 5.296 30 20 IKED Fc1cccc(-c2nc(CN[C@@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)co2)c1 444746218 WYZDGJRASQSQBX-KRWDZBQOSA-N 432.339 6.283 30 20 IKED CC(C)(c1noc(CCC(=O)N(CCC#N)c2ccccc2)n1)c1cccc(Cl)c1F 445588095 PIPGWOVRFPJOSF-UHFFFAOYSA-N 440.906 5.067 30 20 IKED N#Cc1cccnc1-n1cc(NC(=O)N(Cc2cccc3ccccc23)C2CCCC2)cn1 462089709 BICZUNXALZMBFE-UHFFFAOYSA-N 436.519 5.269 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 467528769 XIKKXLWYEFXINL-HNNXBMFYSA-N 442.587 5.085 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC(C)(C)c1nc(C(F)(F)F)cs1 467706747 YBILPHNPPVPQPO-LLVKDONJSA-N 428.505 5.470 30 20 IKED COc1ccc([C@@H](NCc2ccc(F)c(C#N)c2)c2ccccc2)cc1Br 467775215 FUXQAOPRVUBCSJ-QFIPXVFZSA-N 425.301 5.348 30 20 IKED COc1ccc(CNC(=O)c2cn(CCCC#N)c3ccccc23)cc1OC1CCCC1 469159385 ZRACKFARPNRKLV-UHFFFAOYSA-N 431.536 5.205 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H](C[C@@H](C)O)c2ccccc2)cc1 469705943 WPPWPSUPVGLWKM-WIYYLYMNSA-N 445.519 5.035 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cc(C(=O)CC)ccc2Cl)nnc1-c1ccco1 471419489 RIULAKSJACRMCI-UHFFFAOYSA-N 444.944 5.091 30 20 IKED Cc1c(C#N)c(NC(=O)CCN[C@H](c2ccccc2)C2CCC2)n(Cc2ccco2)c1C 472247757 SVGQOOZCMCBVFS-RUZDIDTESA-N 430.552 5.078 30 20 IKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)C[C@H](CC#N)c1ccccc1)CC2 474413753 PJWOJBPFSNXHHT-SIBVEZHUSA-N 446.572 5.327 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1 476798075 AFJFQMJDQCUNNR-UHFFFAOYSA-N 437.543 6.816 30 20 IKED Cc1ccc(Br)c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 477457966 QZPFRSATYJJOOW-UHFFFAOYSA-N 435.321 5.655 30 20 IKED C=C(C)[C@@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C)c1ccc(F)c(F)c1 477739919 GLQBMVILPGRWFT-UXHICEINSA-N 430.886 5.058 30 20 IKED Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 480772064 BXIZVKDUTRYCFJ-DEOSSOPVSA-N 429.495 5.160 30 20 IKED N#C[C@@H](C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1nccc2ccccc12 483233184 LGFNYFJBELLLCJ-OAQYLSRUSA-N 425.875 5.631 30 20 IKED N#Cc1cccnc1Oc1ccccc1NCc1nnc(-c2c(Cl)cccc2Cl)o1 489733297 ZSHWPKYHRLJRMD-UHFFFAOYSA-N 438.274 5.714 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)c3cn(CCC#N)c4ccccc34)o2)cc1 489795763 IBJZKGXOJYODGC-UHFFFAOYSA-N 444.516 5.145 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 499618362 TWQYNBSISPVFJL-KNQAVFIVSA-N 435.568 6.148 30 20 IKED CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2cc(C#N)ccc2Cl)c1 505104225 IUXBHMPLZZWRBF-QGZVFWFLSA-N 431.923 5.574 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 505624922 JANUKOZXAKXCIY-UHFFFAOYSA-N 444.447 5.094 30 20 IKED C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 507580059 MVZQIMHJWCSZKI-RDPSFJRHSA-N 441.600 5.416 30 20 IKED CC(C)Sc1ccc([C@@H](C)NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 508597779 DDASGZOAIHGMAI-HXUWFJFHSA-N 436.625 5.037 30 20 IKED C=CCN(C(=O)Cc1c[nH]c2cc(F)ccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 508852791 NRLKSKSWZQDQKT-UHFFFAOYSA-N 436.468 5.100 30 20 IKED Cn1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(-c2cccs2)n1 509892881 GZYQIUKRELYVTD-LLVKDONJSA-N 426.473 5.040 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CSc2ccc(F)c(F)c2)cc1 512545897 RPPOIWIQMVUYFX-UHFFFAOYSA-N 426.444 5.368 30 20 IKED Cc1ccc2nc(COc3cccc(C(=O)Nc4cc(C#N)ccc4OC(C)C)c3)cn2c1 512570141 ZLANKHKNWWHWOA-UHFFFAOYSA-N 440.503 5.133 30 20 IKED N#C[C@H](C(=O)c1ccc2c(c1)oc1ccccc12)c1nc(O)c2c3c(sc2n1)CCCC3 513753608 DMHHYLGBCMAYMY-QGZVFWFLSA-N 439.496 5.665 30 20 IKED CCOC(=O)c1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 513859234 JFTZWJDCYIVLDG-UHFFFAOYSA-N 431.467 5.108 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H](c2ccccc2)c2ccco2)cc1 514024017 FRXJMEUPMHETQT-AREMUKBSSA-N 439.490 5.792 30 20 IKED CSC[C@](C)(C#N)NC(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12 515169741 UTMJXQJELCEMFG-QHCPKHFHSA-N 425.985 5.037 30 20 IKED CCO[C@H](c1noc([C@@H](C#N)Cc2ccc(C#N)cc2)n1)c1ccc(F)cc1C(F)(F)F 516440804 LAZCKAVUOIAYBF-BEFAXECRSA-N 444.388 5.075 30 20 IKED Cc1ccccc1CN1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 519988716 ICKDBYOTWBLOHK-UHFFFAOYSA-N 440.547 5.445 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)Cc2c(C)[nH]c3ccc(Br)cc23)cc1 521753294 LZWVXAIUBZYHDE-UHFFFAOYSA-N 440.341 5.127 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1 524119249 ACTDXFBWXJTZJO-HSZRJFAPSA-N 442.490 5.011 30 20 IKED CN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccc(Br)cc1F 524501920 YZTSOAPTSGCWNA-UHFFFAOYSA-N 439.284 5.315 30 20 IKED CN(CC(C)(C)C)C(=O)c1cccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c1 525044444 UIPKSGGIEQMZQG-UHFFFAOYSA-N 431.561 5.657 30 20 IKED C[C@@H](C#N)CNC(=O)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 531543542 KVCMLDVZYWNRFG-VIFPVBQESA-N 436.381 5.053 30 20 IKED O=C(c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)N1CCC([C@H](O)C(F)(F)F)CC1 532244119 SXRCLVLLMAISSC-SFHVURJKSA-N 449.366 5.287 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCc2c(ccc(Cl)c2Cl)C1 532947288 VNWJIKKXCOHKER-AWEZNQCLSA-N 434.392 5.384 30 20 IKED COC(=O)[C@H]1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c2ccccc21 534019441 LJVBERUQUFEKHQ-IBGZPJMESA-N 446.890 5.311 30 20 IKED CC(C)c1cc(Br)ccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 535538690 LONVPYDTGLNOTE-UHFFFAOYSA-N 443.389 5.040 30 20 IKED N#C[C@@H](C(=O)c1ccc(-n2ccnn2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 535553151 GHNDEQMYUTWSOY-INIZCTEOSA-N 440.315 5.188 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1Cl 539002660 IMXXSTNMJXMZFR-UHFFFAOYSA-N 446.938 5.045 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1cc(C#N)ccc1OC(F)F 543902701 SPQALLGEYNTCQG-UHFFFAOYSA-N 437.324 5.394 30 20 IKED C[C@@H](NC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C)c1ccc(C#N)cc1 548971138 LYKFXXPJLUVHAP-UNEAEHENSA-N 436.987 5.186 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 549274969 TVQQDODVJBXPGG-SELNLUPBSA-N 436.531 5.100 30 20 IKED CCOc1ccc(-n2c(SCCOCCC#N)nnc2-c2ccc(Cl)cc2)cc1 549305012 AXMIACHSPGVQQD-UHFFFAOYSA-N 428.945 5.009 30 20 IKED Cc1ccc([C@H](N[C@H]2CCCc3cc(C#N)ccc32)c2cccc(S(C)(=O)=O)c2)cc1 552956487 AGAHYXKEDVXCNK-UIOOFZCWSA-N 430.573 5.027 30 20 IKED Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)Nc2ccc(F)cc2C(F)(F)F)C1 554187367 BDCKIRXPQOGVNM-JTQLQIEISA-N 438.347 5.008 30 20 IKED COCc1nc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c(-c2ccccc2)s1 558589217 SJLSPEZZFBPJHE-UHFFFAOYSA-N 442.500 5.268 30 20 IKED C=C(C)Cn1c(-c2sccc2C)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 558965733 UXWUUFGYDCTKEI-MRXNPFEDSA-N 443.642 5.223 30 20 IKED C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N(C)Cc1csc([C@H](C)OCC)n1 558999162 PLIZHXFSMFFYHU-INIZCTEOSA-N 446.020 5.289 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(COc2cc(F)cc(C#N)c2)cs1 564493136 WXIJZQBVNCEDCW-UHFFFAOYSA-N 435.402 5.436 30 20 IKED Cc1sc(C2(NCc3nnc(-c4ccc(C#N)cc4)o3)CCC2)nc1-c1ccccc1F 569242748 IFYCWCGUUXZBCW-UHFFFAOYSA-N 445.523 5.348 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(N2CCCCC2)CC1 575152616 LPZXFULETUHHIU-LJQANCHMSA-N 444.023 5.102 30 20 IKED C=CCOc1ccc(CNC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 581683349 ONTFWUBHSYPTPI-UHFFFAOYSA-N 440.499 5.109 30 20 IKED O=C(N[C@H](c1ccc(F)cc1)C1CCC1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 591032578 CFMPVSDSMZFBIK-ABFRBSLYSA-N 440.403 5.876 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc(Cl)c1OCCC(C)C 592973577 HSQIACJNBMFNFX-OAHLLOKOSA-N 446.931 6.012 30 20 IKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c12 592974359 VKINSBVEMOKDNB-INIZCTEOSA-N 446.438 5.576 30 20 IKED C=CCn1c(S[C@H](C#N)Cc2ccccc2)nnc1-c1ccc(Br)cc1 604040609 KOQSLGCQKWXAMG-SFHVURJKSA-N 425.355 5.121 30 20 IKED C[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 604044538 VYVZXACQMLJQJL-INIZCTEOSA-N 430.895 5.101 30 20 IKED Cc1cc(Sc2ccccc2)ccc1NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 608926350 WTXKFBCIMBNGGL-UHFFFAOYSA-N 425.517 5.038 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)cc1 609306165 CZHPQYYRDNWYEK-OAQYLSRUSA-N 443.522 5.132 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCNc1ccccc1[N+](=O)[O-] 609381722 PYTAKKKBWHVBMS-UHFFFAOYSA-N 438.431 5.060 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 609435327 HFJRXDOQZPXMBJ-JXFKEZNVSA-N 447.526 6.859 30 20 IKED COCCSc1ccc([C@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 609437028 LOFHACCPRHGRKL-SJORKVTESA-N 429.611 5.702 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 609439060 VWFWERXBNITMAS-DOTOQJQBSA-N 436.606 6.396 30 20 IKED Cn1ccnc1[C@@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1ccc(Cl)cc1 609985248 BXDXKBRBMKRWIW-QHCPKHFHSA-N 441.922 5.208 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(OC2CCOCC2)cc1 610225600 PNAIGFMJZCABKN-UHFFFAOYSA-N 428.488 5.469 30 20 IKED CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1 610290477 MRGHWVTYXBDAPY-UHFFFAOYSA-N 432.455 5.122 30 20 IKED C=CCn1c(SCc2cc(Cl)ccc2OCc2cccnc2)nnc1-c1ccco1 614336058 LXOGGQWAWFVEJI-UHFFFAOYSA-N 438.940 5.644 30 20 IKED O=C(NCc1ccccc1C(F)(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 621414179 LPPJZRWFOTUZOY-GDNZZTSVSA-N 436.318 5.414 30 20 IKED COc1ccc(C(=O)C2CCN(C(=O)Nc3cccc(C#Cc4cccs4)c3)CC2)cc1 642480322 LXJFWTALIJGKIZ-UHFFFAOYSA-N 444.556 5.283 30 20 IKED C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)c1cc(F)c(Cl)cc1Cl 674423011 ORDIFPPUXJJNLX-NBEYISGCSA-N 441.174 5.576 30 20 IKED O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674564602 ITGVGXUPFKGCRJ-UWVGGRQHSA-N 444.244 5.545 30 20 IKED CC(C)(C)[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F 675204647 QEZKWKSMKYCYQQ-SCRDCRAPSA-N 432.355 5.434 30 20 IKED O=C(c1ccc(C(F)(F)F)cc1Cl)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 678750126 DFUWCGWVIKXZHC-DTORHVGOSA-N 427.694 5.562 30 20 IKED CN(Cc1ccccc1)c1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1 726504705 WVAITEJKLFXJBA-UHFFFAOYSA-N 437.499 5.619 30 20 IKED C[C@H](OC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1cccc(C#N)c1 727639060 FJIKMZLLACGKID-ZDUSSCGKSA-N 437.849 5.146 30 20 IKED CC(=O)N(c1nc(/C=C2\CCOc3ccccc3C2=O)cs1)c1ccc(F)cc1F 728441792 PWVFGSVBYURYGP-GXDHUFHOSA-N 426.444 5.155 30 20 IKED Cc1c(C(=O)NC[C@@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)oc2ccc(F)cc12 728972122 HSOTXQKNQGQGQI-GOSISDBHSA-N 449.322 5.079 30 20 IKED Cc1ccc(S[C@@H](C(=O)OCC(=O)Nc2ccc(CC#N)cc2)c2ccccc2)c(C)c1 730330874 CKCRPXKXGIPYDF-RUZDIDTESA-N 444.556 5.385 30 20 IKED N#C[C@@H](C(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)c1nc2ccccc2s1 730685392 HSBRMKCZASAHAI-AOMKIAJQSA-N 436.895 6.085 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1csc(-c2cccs2)n1 731069298 IUVWRRPHMKFFQT-CYBMUJFWSA-N 443.575 5.061 30 20 IKED Cc1nn(-c2ccccc2)c2ncc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)cc12 731645316 JBVWGXBROQZNFF-HXUWFJFHSA-N 436.302 5.030 30 20 IKED C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 731763433 XKVMXAKNUKEQCL-JOCHJYFZSA-N 449.551 5.180 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 733621695 MUGLMKUZHKLMCP-HSZRJFAPSA-N 425.492 5.294 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1 740454588 UTKOYTFQDKTWOC-KLAILNCOSA-N 432.590 5.038 30 20 IKED COc1cc(C(=O)/C=C\c2cnc3ccc(Br)cn23)ccc1SC(F)F 740765153 RAAFZOAOCLCPDD-PLNGDYQASA-N 439.281 5.316 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1NC(=O)OC(C)(C)C 744015728 BSUWGHBKFZVSCZ-GOSISDBHSA-N 431.492 5.337 30 20 IKED C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1C(F)(F)F 744033315 SEESXNFBZHERCD-RISCZKNCSA-N 426.797 5.339 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1 744036065 VEKVQLRCDYHHFH-VNQPRFMTSA-N 449.309 6.375 30 20 IKED C=CCN(CCc1ccccc1)Cn1nc(-c2cccnc2)n(Cc2ccccc2)c1=S 744153822 JXJBDIKPEQSKSA-UHFFFAOYSA-N 441.604 5.213 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc2ncccc2c1)C(=O)c1ccccc1 747149720 GKPHDWPPCYTPBP-PLRJNAJWSA-N 434.539 6.265 30 20 IKED N#CCSc1ccccc1NC(=O)COC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 750388420 NDKZNLNJAVIJGM-UHFFFAOYSA-N 449.359 5.213 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C 750597095 CRLHYULQYCCWOU-KSZLIROESA-N 444.601 5.087 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 752695374 UNAGMSGQDHZJPT-GHTZIAJQSA-N 438.503 5.476 30 20 IKED Cc1[nH]c2ccc(Cl)cc2c1C=Nn1cnc2sc(C)c(-c3ccccc3)c2c1=O 752721407 FJEDBTICFOCDIR-UHFFFAOYSA-N 432.936 5.759 30 20 IKED CCOc1ccc(C=NOCc2ncc(-c3cccc(Br)c3)o2)cc1OC 754279970 SAURHJGKRXNSPL-UHFFFAOYSA-N 431.286 5.062 30 20 IKED CC(=O)N(c1nc(COC(=O)c2ccc(Cl)c(C#N)c2)cs1)c1cccc(C)c1C 754919951 HXIHUUPSECNHTK-UHFFFAOYSA-N 439.924 5.327 30 20 IKED N#Cc1cc(F)c(C(=O)O[C@H](CC(F)(F)F)c2ccc(Br)cc2)c(F)c1 755303865 LQTLAQQYQLFNPK-CQSZACIVSA-N 434.158 5.449 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccc(CN3CCOC3=O)cc2)cc1Cl 761377324 RMGMGCZBEHVPPF-UHFFFAOYSA-N 447.878 5.208 30 20 IKED C=CC[C@@H](NC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)c1ccncc1 761697191 SWIOMTXXRTZANS-OAQYLSRUSA-N 434.367 5.396 30 20 IKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 761849485 XHVTYLBLFNCTPX-RUZDIDTESA-N 445.494 5.190 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cc(-c2ccccc2)n[nH]1 767753313 IDNRQAZNTLECMS-UHFFFAOYSA-N 445.935 5.359 30 20 IKED N#C[C@@H](C(=O)/C=C\c1ccnc(Cl)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 771260553 IOWWPFQQFLAPLG-QLTUCANCSA-N 434.735 6.055 30 20 IKED COC(=O)c1cc(Cl)ccc1C(=O)/C=C/c1csc(COc2ccc(OC)cc2)n1 787179931 SWDHDXZVZWKIMD-ONNFQVAWSA-N 443.908 5.067 30 20 IKED O=C(C[C@H]1SC(=Nc2ccsc2)N(CCc2cccs2)C1=O)Nc1ccccc1 790743341 UUWHWUSRTRLYPH-GOSISDBHSA-N 441.603 5.013 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1Br 793122676 DCXUUGBMTMRCMH-CYBMUJFWSA-N 426.097 5.026 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1sc2ccc(C#N)cc2c1C 796745155 GNIVNLUBAWNQIY-HNNXBMFYSA-N 437.908 5.013 30 20 IKED CC(C)([C@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1ccc(Br)cc1)[N+](=O)[O-] 796831650 GFDCMOXCGMBCTQ-FXAWDEMLSA-N 445.313 5.176 30 20 IKED Cn1cc2c(n1)CCC[C@H]2C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 798816407 KHQYJMKKIMSDKJ-OCCSQVGLSA-N 431.348 5.147 30 20 IKED C#C[C@H](NC(=O)c1ccc(NC(=O)c2cccs2)c(C)c1)c1ccc(Cl)cc1F 804417741 RYKPCZNMDDYJSA-SFHVURJKSA-N 426.900 5.206 30 20 IKED Cc1ccccc1[C@@H](O)C1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 804509184 LCZIMKLFOBVRRM-MHZLTWQESA-N 440.543 5.032 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccccc2C(F)(F)F)CC2CC2)c1 805114758 YLOCOUXUQSARHC-HXUWFJFHSA-N 445.485 5.508 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/Oc3cccc(Cl)c3C2=O)cs1 811698553 KZYFIMASMKYCDP-RQZCQDPDSA-N 431.300 5.751 30 20 IKED O=c1c2ccccc2nc(S)n1N=Cc1ccc(-c2ccccc2Br)s1 912806537 RGURMJBONGNFKJ-UHFFFAOYSA-N 442.363 5.058 30 20 IKED N#C[C@@H](C(=O)COc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915101457 BTHSNVRVMXSIHO-HNNXBMFYSA-N 448.287 5.280 30 20 IKED N#C[C@H](C(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103577 YKLBDIGLRKCSNH-QAPCUYQASA-N 443.311 5.075 30 20 IKED Clc1ccc(CSc2nncn2N=Cc2cccc(OCc3ccccc3)c2)cc1 916546451 RKELTZUSIKSWPS-UHFFFAOYSA-N 434.952 5.685 30 20 IKED N#C[C@H](C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1ccc2ccccc2n1 916848984 QQBPCWFVFCFVRG-QFIPXVFZSA-N 440.886 5.374 30 20 IKED N#C[C@H](C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1ccc2ccccc2n1 916849292 ODZVLBRFECLLIC-LAUBAEHRSA-N 438.314 5.023 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccc(F)cc2)cc1 916903720 RDWQOEIZOGTGPK-QHCPKHFHSA-N 430.479 5.704 30 20 IKED N#C[C@@H](C(=O)CCCSc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl 916927898 DYVVCKQAHKTXCV-HNNXBMFYSA-N 441.767 5.867 30 20 IKED CC(=O)c1cccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 916996165 LAMVKFFBAUHZFX-QGZVFWFLSA-N 445.327 5.575 30 20 IKED N#C[C@@H](C(=O)CCC(=O)CCC(=O)c1cccs1)c1nc2cc(Cl)ccc2s1 917046816 QGKWIPUOZSGLDD-AWEZNQCLSA-N 430.938 5.200 30 20 IKED N#C[C@H](C(=O)CN(Cc1ccccc1C(F)(F)F)C1CC1)c1nc2ccccc2s1 917145140 SCNMMNSLABFFHV-MRXNPFEDSA-N 429.467 5.156 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)cc1OC 918641032 BKZCVQVYTYWWOZ-HNNXBMFYSA-N 438.376 5.798 30 20 IKED N#CCCN(C(=O)COC(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl)c1ccccc1 919295041 NBGUCOAEBJOZNO-UHFFFAOYSA-N 445.224 5.116 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\COc3c(F)cc(F)cc3C2=O)cs1 920066071 JWLKHPNSDFHCOV-VGOFMYFVSA-N 426.444 5.073 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 920142687 RIJLMFVRAVINFU-IBGZPJMESA-N 444.516 5.519 30 20 IKED C[C@@H](NN=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)c1ccccc1 920385648 FBOVZALFYRLRAA-LJQANCHMSA-N 434.499 5.330 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2cc3c(C)cc(C)nc3s2)c1 924851764 RCKJLPQWJLPBDX-SFHVURJKSA-N 435.549 5.022 30 20 IKED CC(C)(C)Oc1ccc(NC(=O)c2cc(O)nc3c(Br)cccc23)cc1C#N 1298261102 OGKOKZFTUKLUAW-UHFFFAOYSA-N 440.297 5.004 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(Cl)ccnc5c4)CCC3)cc2)C1 1785810232 FXVHKBSNIWNUSJ-UHFFFAOYSA-N 445.950 5.602 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc4cnccc4n3)cc2)CCC1 1788961959 CYTSHTNEBXPKHD-UHFFFAOYSA-N 442.563 5.370 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2)CCC1 1790345257 OEXLKEQFZZDWPF-UHFFFAOYSA-N 438.955 5.290 30 20 IKED CCC[C@H]1CC[C@H](C(=O)Nc2ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc2)CC1 1791366824 KGLYZWZGDGDWTC-UGEYFMBASA-N 449.595 5.439 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)CCCOc3ccc(Cl)cc3)CCC2)cc1 1791588683 RPJRSEGMLQBUPW-UHFFFAOYSA-N 426.944 5.209 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCC(F)(F)F)CCC3)cc2)c1 1792122796 RTMFXMMKNSBTNA-MRXNPFEDSA-N 443.469 5.404 30 20 IKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OC(C)C)c(Cl)c1 1800311509 ZQIGWENTWGPGMF-WKCHPHFGSA-N 445.003 5.147 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)/C(C)=C/c2cccs2)[C@@H]1c1cccnc1 1802433100 CELCFYCFQCLHFH-PPIOEHGWSA-N 449.620 5.021 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc4ccccc4c3)C2)CC1 1809127646 OUHVZLLRKBVQEW-SANMLTNESA-N 444.619 5.382 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3[nH]ccc3s2)n[nH]1 1818789548 XUZVFZOCVLLOTN-YJBOKZPZSA-N 437.569 5.027 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4occ(Cl)c4c3)CC2)C1 1823701188 BTAXMQQJCHCIIQ-JOCHJYFZSA-N 440.971 5.286 30 20 IKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@H](CCC)CC2)CC1 1824500017 BRABBPXWGFGKDU-QLBJFCOMSA-N 446.676 5.195 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccn(C)c23)CC1 1828273203 ZRCCKKNKBHDXHU-VWLOTQADSA-N 447.623 5.180 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccccc2F)CC1 1828830036 PPYAISZPNGHBKJ-ZCYQVOJMSA-N 440.603 5.146 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)C1 1845671544 JHPJHYMZBIHOOK-UHFFFAOYSA-N 445.563 5.237 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2ccccc2Cl)cc1 10826659 KLCAJNOWZLDBAK-UHFFFAOYSA-O 438.016 6.166 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)CNc1cccc(OCc2cccc(C#N)c2)c1 59801058 AHAMTLYLPHLLLT-UHFFFAOYSA-N 435.911 5.158 30 20 IKED C=CCn1c(SCc2cnc(-c3ccc(C(C)C)cc3)s2)nnc1-c1ccncc1 255929822 NPNMUUDQOWAVSA-UHFFFAOYSA-N 433.606 6.065 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2CCCN(C(=O)c3ccc(C)cc3)C2)c1 303136577 CXLQEMLQZDVBBZ-QHCPKHFHSA-N 442.584 5.123 30 20 IKED CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 303393033 YLGYOQYMWZYJTK-QHCPKHFHSA-N 449.457 5.022 30 20 IKED C=CCCc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC 410386952 ZBNCNORIUSZBKP-UHFFFAOYSA-N 426.973 5.468 30 20 IKED C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)Nc1ncccc1OCCCC#N 426698626 ZWSGZWNGCQQCLR-CQSZACIVSA-N 426.929 5.085 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C(=O)Nc2cccc3ccccc23)cc1 437374316 QCRARQBPBUXQTA-UHFFFAOYSA-N 437.474 5.018 30 20 IKED COc1cccc(-c2noc([C@H](C)NC(=O)Nc3ccccc3S[C@H](C)CC#N)n2)c1 438070550 FCHCDTIBIHZXQR-CABCVRRESA-N 437.525 5.022 30 20 IKED CCSc1cccc(NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 439547956 XYRWJJAWBOLJCF-UHFFFAOYSA-N 445.544 5.135 30 20 IKED CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 441476263 KAEATJQLKZVGGN-UHFFFAOYSA-N 448.832 5.028 30 20 IKED Cc1ccc(OCc2ccccc2)c(NC(=O)CCCC(=O)Nc2ccccc2C#N)c1 443167482 KTUOISJAUPKNBR-UHFFFAOYSA-N 427.504 5.193 30 20 IKED Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 447428909 RFAQMVCNKMTTKA-YJBOKZPZSA-N 449.498 5.138 30 20 IKED C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@@H]1c1ccc(COC)o1 460775420 FYECTIKDNAMLTI-OAQYLSRUSA-N 436.556 5.077 30 20 IKED CCN(C(=O)[C@@H](C)c1cccc(C#N)c1)[C@H](c1ccc(Br)cc1)c1cccnc1 463818638 PYDNOVMLIHSGRX-GAJHUEQPSA-N 448.364 5.457 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc1 464404007 CLPXJVOWLQHZFV-KRWDZBQOSA-N 425.341 5.394 30 20 IKED Cc1ccc(-n2ncc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)c2C(F)(F)F)cc1 464426288 JRVHLSCDEKFUIB-AWEZNQCLSA-N 438.331 5.103 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cc2cc(Br)ccc2[nH]1 467338333 ZIAAWVNTVROVRD-CYBMUJFWSA-N 443.370 5.646 30 20 IKED CC[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1nc(C(F)(F)F)cs1 467704116 HHFZKURLYMQQTM-NEPJUHHUSA-N 428.505 5.686 30 20 IKED Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 468142226 QSUUKLGNUDSGHE-OAQYLSRUSA-N 432.568 5.039 30 20 IKED CC(C)c1nn(-c2ccccc2)cc1CNC(=O)Nc1ccccc1S[C@H](C)CC#N 470603799 ZGELAFHNDOXKGE-GOSISDBHSA-N 433.581 5.712 30 20 IKED N#Cc1ccc(C[C@H](C#N)C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 470754154 HHYJGDOJHQBIDQ-CQSZACIVSA-N 427.316 5.310 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@]1(C#N)CCc2ccccc2C1 472275735 JJGRYOIECJVNQN-XMMPIXPASA-N 449.963 5.143 30 20 IKED C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 472696985 FJQSFYYHJKZTAC-XUZZJYLKSA-N 439.559 5.817 30 20 IKED CCOCCC1(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CCCC1 473667716 UXUJLKGIIVGYKP-UHFFFAOYSA-N 437.559 5.396 30 20 IKED C[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 475032917 YYUUUBBRYVEQDM-KRWDZBQOSA-N 429.495 5.370 30 20 IKED CC(C)CN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@H]1CCCc2cccnc21 475949701 WFBDTMYVEGGSKN-QFIPXVFZSA-N 429.520 5.301 30 20 IKED CC(C)[C@H]1CCc2ccccc2N1C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 476383112 VBUHROCTKVQDPW-OAQYLSRUSA-N 444.535 5.027 30 20 IKED CCc1ccc([C@H]2CCCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)o1 480279537 AUICQMOKNGXAPN-HSZRJFAPSA-N 442.519 5.725 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nn1-c1cccc(F)c1 481000129 AGANVZPHHODETH-HNNXBMFYSA-N 438.434 5.212 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 481900009 XNGNGAZOGOXKAB-UHFFFAOYSA-N 447.879 5.126 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 483448499 QPODPDDYZOGFMK-UHFFFAOYSA-N 441.482 5.540 30 20 IKED COc1ccccc1-c1csc(C2CCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)n1 483718396 BCRJECLIPMWDDJ-UHFFFAOYSA-N 436.512 5.241 30 20 IKED COc1cc(Cl)c(Cl)cc1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 486808908 MLBPXECQAYEIGH-UHFFFAOYSA-N 428.275 5.622 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NC(C)(C)c1nccs1 489903483 ZKMGCXADSZLJRR-UHFFFAOYSA-N 440.594 5.147 30 20 IKED N#C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1c(Cl)cccc1Cl 499808006 CKJDXPQYYDHMEJ-AWEZNQCLSA-N 433.276 5.020 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1csc(Br)c1 500816609 XZERUHXOWJIYAK-UHFFFAOYSA-N 429.364 5.463 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1 502899295 MDJVAKXEGUTNRA-FQEVSTJZSA-N 434.536 5.200 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c2cc(Br)ccc2n1 505699850 GTHVIAABIQFPRM-KRWDZBQOSA-N 449.333 5.314 30 20 IKED COC(=O)[C@H](Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1)c1cccc(C#N)c1 507822006 BBACZWYOGIURLC-JOCHJYFZSA-N 444.878 5.273 30 20 IKED C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1 508868494 VWIYPAQTBBLQSH-UHFFFAOYSA-N 444.926 5.181 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1Cl 510022259 CSFGVCZMBYGRLW-NRFANRHFSA-N 440.934 6.067 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCc1ccc(-n2cccn2)cc1 510517204 HAACVDGCBJQWJF-UHFFFAOYSA-N 437.503 5.209 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)cc1 510519326 CEQCATKYGSPNMS-UHFFFAOYSA-N 447.922 5.594 30 20 IKED Cc1ccccc1CN1CCC(NCc2cccc(OCc3cccc(C#N)c3)c2)CC1 512831203 BMQISUDJNWWTNX-UHFFFAOYSA-N 425.576 5.200 30 20 IKED Cc1ccc(-c2csc3nc(SCCCCC#N)n(C[C@H]4CCCO4)c(=O)c23)cc1 514298346 HZGCWTNYVMUCSE-GOSISDBHSA-N 439.606 5.398 30 20 IKED Cc1cccc(-c2nc(CC(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cs2)c1 514558768 GFWVJZXZUKADGQ-UHFFFAOYSA-N 440.528 5.667 30 20 IKED N#Cc1ccc(/C=C/c2nc(-c3ccccc3-c3ccc(CN4CCCC4=O)cc3)no2)cc1 515023054 GDXWHCRYMSXAHV-DTQAZKPQSA-N 446.510 5.568 30 20 IKED Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)[nH]c2c1 520292470 JYUQHSWFJVXJCQ-NRFANRHFSA-N 442.548 5.159 30 20 IKED Cc1nc(NC(=O)[C@H](Sc2cc(F)ccc2F)c2ccccc2)sc1SCC#N 520714280 LLHPFAKQDZOLKN-QGZVFWFLSA-N 447.557 5.818 30 20 IKED CC(C)COC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 520796349 GNJFJWVRYLAORB-JOCHJYFZSA-N 425.960 5.664 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1 521812885 LGSPJKPLVQGMEG-LSDHHAIUSA-N 449.498 5.258 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)NC(c3cccs3)c3cccs3)c2)cc1 524102380 VVLFYNYSPVZBOW-UHFFFAOYSA-N 430.554 5.780 30 20 IKED Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)on1 524441393 GQFUOTMAJQSYGG-FQEVSTJZSA-N 436.899 5.456 30 20 IKED Cc1nc(SCc2nnc(-c3ccc(C#N)cc3)o2)n([C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 525110701 GDDVMKQLQAKXQW-GIUOSPMZSA-N 433.581 5.711 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(O[C@@H](C)c4ccccc4)cc3C)CC2)o1 526007803 AFVVQYVORXOZMM-SFHVURJKSA-N 444.535 5.158 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NCc1ccc(C#N)cc1F 533446246 KOLVNOHYRXZNEJ-LBPRGKRZSA-N 430.346 5.743 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Nc2cccc3c2CN(c2nccs2)C3)c1 533952765 CHJHNEKJTFOJJM-IBGZPJMESA-N 445.592 5.027 30 20 IKED C=C[C@@H](CC(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1)c1ccccc1 535393431 GKVXOLXCAWWLOI-HNNXBMFYSA-N 440.330 5.939 30 20 IKED CC[C@@H](C)n1ncc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1C1CC1 536347677 FKAUVSNEBIDLEO-TZMCWYRMSA-N 426.492 5.623 30 20 IKED C[C@@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1nc(-c2ccccc2)no1 536449888 WODWERHWZMRJOF-KRWDZBQOSA-N 440.528 5.293 30 20 IKED CCC[C@H](C)NS(=O)(=O)Cc1cccc(NC2CCC(C#N)(c3ccccc3)CC2)c1 539957573 WICAKILCGZNCHB-UPDUBSDMSA-N 439.625 5.111 30 20 IKED COc1ccc([C@H]2CCCCCN2C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cc1 541924179 VGYRUYBECAVHTO-OAQYLSRUSA-N 433.487 5.041 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@H](C)c2ncc(-c3ccccc3)o2)n(C2CCCCC2)c1C 542570843 QBVMBEHCPHPDHT-GOSISDBHSA-N 445.567 5.426 30 20 IKED CCCCSc1ccc(C(=O)Nc2nc3n(c2C#N)CCS3)cc1C(F)(F)F 545477200 CWLVNNACNNRHDS-UHFFFAOYSA-N 426.489 5.024 30 20 IKED CC(C)c1cc(Br)ccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 551052397 YQENYSYERBDQQO-UHFFFAOYSA-N 442.357 5.519 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)C1CCC(OC(F)F)CC1 552491550 RXCLNOPMPCRLFC-UXUKBGGZSA-N 433.339 5.613 30 20 IKED C=CCOc1ccc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)cc1 552705554 JEGPXSNSCOLYDA-UHFFFAOYSA-N 435.833 5.039 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1 554175718 ZSNZGPNPTYDAJB-KNQAVFIVSA-N 426.557 5.477 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 558337962 BRYNCBFPJOBDMO-AEFFLSMTSA-N 447.526 6.369 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 558340811 PBXRZTMWVDOCRC-CPJSRVTESA-N 434.609 5.211 30 20 IKED CCOC(=O)C1CCC(N(CC)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 558749650 RBMHRLPXLFAKOG-UHFFFAOYSA-N 435.524 5.326 30 20 IKED N#Cc1ccccc1COc1cccc(CNCCc2coc(-c3ccc(F)cc3)n2)c1 561384460 NZTPMZYDGZGYQK-UHFFFAOYSA-N 427.479 5.264 30 20 IKED CC(C)(CCC#N)CNCc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 561747754 RRMCBPXUTDKZAY-UHFFFAOYSA-N 444.579 5.179 30 20 IKED C[C@@H]1CCCCN1CCC1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 562108889 MTJIMIFRNPLSCQ-HXUWFJFHSA-N 447.583 5.254 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC([C@@H](F)c2ccccc2F)CC1 564481281 BXRMGWKMDFSVMC-OPAMFIHVSA-N 429.536 6.032 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 566928953 DKBFSBJTCQSJHW-DHIUTWEWSA-N 426.992 5.232 30 20 IKED CC(C)(C)C(=O)NC1CCC(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)CC1 567837812 KUYZCIZOJNLOMV-UHFFFAOYSA-N 435.593 5.045 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 571899278 PXSLXLOFNSYCHE-FQEVSTJZSA-N 445.611 5.052 30 20 IKED C=CCn1c(Cc2cccc3ccccc23)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 572766890 QERARZMMMCLIRC-GTJUCTONSA-N 444.604 5.143 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)cc2)ccn1 589577139 MGWOREOJRKCFCK-UHFFFAOYSA-N 448.442 5.449 30 20 IKED CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 603638083 OJEUDGVQKRQIQV-UHFFFAOYSA-N 427.504 5.374 30 20 IKED C[C@H](NC(=O)[C@H](Oc1ccccc1Br)c1ccccc1)c1ccc(C#N)cc1 603755139 BJPDYOLQFBYHLJ-KSFYIVLOSA-N 435.321 5.318 30 20 IKED Cc1cc(OC(F)F)c(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)s1 603827467 RZEYQIKYMUAXFI-HTQZYQBOSA-N 425.341 5.297 30 20 IKED CCc1cc(C#N)c(NC(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)s1 604028689 HAZDBQNKZBCAGE-UHFFFAOYSA-N 435.578 5.797 30 20 IKED Cc1ccccc1OCc1nnc(S[C@@H](C#N)Cc2ccccc2)n1-c1ccccc1 604041583 KETHFBBCBSNPRO-JOCHJYFZSA-N 426.545 5.382 30 20 IKED Cc1nc(C2CCCC2)sc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 608552915 SFRNPRWFFOXFPQ-CYBMUJFWSA-N 435.496 6.228 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC 609072432 MCXLAYIOFHSLMH-UHFFFAOYSA-N 428.488 5.271 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CC3(CC(=O)O)CCCC3)cc2Cl)c1 609076061 FYDGPIWSQRMDQV-UHFFFAOYSA-N 426.900 5.154 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)c1 609204241 BMQNNLDLLRGRQA-UHFFFAOYSA-N 427.504 5.213 30 20 IKED CC1CCC(OC2CCN(C(=O)c3cccc(OCc4ccccc4C#N)c3)CC2)CC1 609374124 HWRIQRNRACHSTA-UHFFFAOYSA-N 432.564 5.337 30 20 IKED CCOc1ccc(-c2nc(CC(=O)Nc3ccccc3S[C@H](C)CC#N)cs2)cc1 609431864 WECZGSDGHLRCRG-MRXNPFEDSA-N 437.590 5.784 30 20 IKED CCCN(CCC)C(=O)CCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609459543 GIQDIUBOFSCOLW-OAQYLSRUSA-N 425.960 5.363 30 20 IKED N#C[C@@H](NC(=O)c1cccc(OCc2cccs2)c1)c1ccccc1Br 609593608 CLPANYKNWMJZKS-LJQANCHMSA-N 427.323 5.084 30 20 IKED CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1Cl 609690214 REJCNXFRFVYFFS-QRWLVFNGSA-N 429.973 5.044 30 20 IKED C[C@](CO)(NCc1cccc(OCc2cccc(C#N)c2)c1)c1cccc(C(F)(F)F)c1 609710956 NSHZHKSXRGVNII-XMMPIXPASA-N 440.465 5.153 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F 610167087 SPKLMSXDWFDPSL-SJCJKPOMSA-N 427.879 6.159 30 20 IKED C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@@H]1COc2ccccc21 611109504 NZKJKTLHLAPIDE-KOSHJBKYSA-N 427.504 5.018 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 613407018 CPYADEGLDLPVBA-NSHDSACASA-N 446.290 6.196 30 20 IKED Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2cccs2)c1C 619855094 PRELSQVGGSUFDO-DVECYGJZSA-N 435.597 5.275 30 20 IKED COCCCn1c(S[C@H](C#N)c2ccc(Cl)cc2)nnc1-c1ccccc1Cl 619863499 UZZMNCGBDBQEKF-GOSISDBHSA-N 433.364 5.645 30 20 IKED N#C[C@H](C(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 642282039 GHVKPOYEWPJSET-IAGOWNOFSA-N 446.450 5.363 30 20 IKED CSc1cccc(F)c1CNC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 672558008 JCJXGJVVYQHAJK-UWVGGRQHSA-N 432.405 5.256 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 682777227 IOKYQKULVRXQQT-GJZGRUSLSA-N 436.440 6.570 30 20 IKED COc1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1NC(=O)OC(C)(C)C 726456028 AYJMWYASFSKAME-UHFFFAOYSA-N 432.933 5.376 30 20 IKED Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=NNc1ccc(OCC(F)(F)F)cc1 727262209 NSDUKEWWRCKUFJ-UHFFFAOYSA-N 426.801 5.360 30 20 IKED C=CCn1c(-c2ccccc2F)nn(CN2CCO[C@@H](c3ccccc3Cl)C2)c1=S 728904246 MWIVSOUYMQQRQJ-HXUWFJFHSA-N 444.963 5.091 30 20 IKED CC(C)CN(CCC#N)Cn1nc(-c2ccc(Cl)c(Cl)c2)c2ccccc2c1=O 729463371 NYKPVMUCIDGATE-UHFFFAOYSA-N 429.351 5.199 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2ccccc2NC(=O)Cc2cccs2)cc1OC 730499851 IUEPKWRFEMBNET-ACCUITESSA-N 448.544 5.155 30 20 IKED N#Cc1cccc(OCC(=O)Nc2cccc(NC(=O)Nc3cccc4c3CCCC4)c2)c1 731334943 CRSKTLTVWIVSST-UHFFFAOYSA-N 440.503 5.099 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3nc(COc4ccccc4)cs3)cc2)nc1 731959777 OVQLSGTXVWCXEA-UHFFFAOYSA-N 428.473 5.033 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)ccc1OC 733646755 PHPHCNSOMVMMAQ-RCZVLFRGSA-N 447.510 5.104 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)CCCSc2ccc(Br)cc2)c1 733775556 ZVURTQGKKBRGDW-GOSISDBHSA-N 447.398 5.319 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2nc3ccccc3s2)cc1C 734140041 ANXSAKOBHDDYMB-QGZVFWFLSA-N 429.549 5.181 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)Nc1snc(Cl)c1C#N 739897223 CABSXKXJDDZYSN-SECBINFHSA-N 439.791 6.036 30 20 IKED COc1ccccc1-c1ccc(C(=O)/C=C\c2cc(Br)c(O)c(OC)c2)cc1 741470603 SUHRMSOJSITUMJ-GHXNOFRVSA-N 439.305 5.735 30 20 IKED COc1cccc(-c2nn(C(C)(C)C)cc2/C=C\C(=O)c2ccc3c(c2)CCC(=O)N3C)c1 754690361 RPKVQCKSZQXYIG-RAXLEYEMSA-N 443.547 5.119 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(Oc3ccc(C(C)=O)cc3)cc2)c1 760456494 AWQCATIABZDBCH-JOCHJYFZSA-N 428.488 5.292 30 20 IKED CCC[C@@H](NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)c1cccc(C(F)(F)F)c1 761688177 TYOBYEYAJGSZMM-NHCUHLMSSA-N 431.458 5.201 30 20 IKED C[C@@H](Cc1ccc(Br)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 765935247 ITMZOHPFVXJPDR-SUMWQHHRSA-N 426.339 5.023 30 20 IKED C=C(C)C[C@@H](C)C(=O)OCc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1 767694930 IAZDMKVEQADLAB-CYBMUJFWSA-N 426.460 5.492 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)Nc3ccccc3SC(F)F)o2)cc1 768462798 YBKUOMLDWWJFFE-UHFFFAOYSA-N 449.504 5.347 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(C(=O)Nc3cccc(OCC#N)c3)C2)n1 772232026 VZZNZESQPDDUCH-KRWDZBQOSA-N 448.548 5.133 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cncc2ccccc12 772837307 QTMPXPFJOXWDPW-UHFFFAOYSA-N 430.920 5.517 30 20 IKED N#C[C@@H](C(=O)C1(c2ccc(F)cc2F)CCC1)c1nc(-c2c(F)cccc2F)cs1 777314293 SOVAOKZYCSGINV-ZDUSSCGKSA-N 430.426 5.665 30 20 IKED Cc1cc(CN(C)C(=O)NCc2ccc(C#N)cn2)cc(C)c1OCc1ccccc1Cl 780643397 UUZBFPCMZWUQCC-UHFFFAOYSA-N 448.954 5.144 30 20 IKED C[C@@H]1C(=O)CC[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1(C)C 781446954 AKOGJWXDBAUMPL-UGFHNGPFSA-N 435.376 5.935 30 20 IKED CC[C@@H](NC(=O)[C@H](C#N)C(=O)c1sc(-c2ccc(Cl)s2)nc1C)c1ccccc1 787035441 DUMUEBRQAMQDMS-HUUCEWRRSA-N 443.981 5.423 30 20 IKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccsc3)N([C@H]3CCC(F)(F)C3)C2=O)cc1 790741231 HKRROKOLROOZHB-DLBZAZTESA-N 449.548 5.205 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1ccccc1SCC#N 793509036 ZUGWTCOWJWVSNZ-UHFFFAOYSA-N 432.389 5.612 30 20 IKED COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1ccccc1 795982603 RCJHZHHEVSILFP-GJZUVCINSA-N 442.515 5.314 30 20 IKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)COC(=O)c3ncccc3Cl)c2C#N)C1 796573707 UGIOQFSJHWZULH-ZDUSSCGKSA-N 445.972 5.005 30 20 IKED N#C[C@@H](C(=O)C1CCN(Cc2ccccc2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 805859135 YXJVPZRIMZTPII-SFHVURJKSA-N 443.494 5.404 30 20 IKED CN(C)c1ccc(C2CCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)CC2)cc1 810281864 HJEFNMJOOMULLV-UHFFFAOYSA-N 441.535 5.223 30 20 IKED CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 810282159 LYRWOIGLGSPAMK-UHFFFAOYSA-N 429.524 5.254 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2C[C@@H](c3ccccc3)OC2=O)cc1Cl 813409702 JKKUEOOUDSKYBH-XPNTWCBSSA-N 430.891 5.238 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)C(C)(C)c2csc(-c3ccccc3F)n2)s1 816067844 BLSWXOOYVNZGNH-AWEZNQCLSA-N 427.570 5.857 30 20 IKED CCOc1c(Cl)cc(C=NOCC(=O)Nc2c(C)cc(C)cc2Cl)cc1OC 836734235 HCZQYMATDXNVNN-UHFFFAOYSA-N 425.312 5.007 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 911602611 LVTYGXWQHOMVOV-UHFFFAOYSA-N 427.504 5.010 30 20 IKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1 915102577 YHTLTMUUVRPVPI-LPHOPBHVSA-N 435.574 5.055 30 20 IKED CC(C)C(=O)Nc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915350557 YEYYLXSNPDLBTH-XMMPIXPASA-N 426.520 5.258 30 20 IKED COc1cc(/C=C\C(=O)c2cccs2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 916136959 ATAJBXKNWZVIRM-YWEYNIOJSA-N 445.899 5.463 30 20 IKED N#CCOc1cccc(NC(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)c1 916410176 ZMCOJOADAZBYPB-OAQYLSRUSA-N 437.293 5.110 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)Nc1cccc2ccccc12 916916643 YSVUGHXWHJQBCI-FQEVSTJZSA-N 445.931 5.507 30 20 IKED CC(=O)N[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1)c1ccc(Cl)cc1 916974227 HHYOEQAGYQAGKV-VQTJNVASSA-N 437.952 5.216 30 20 IKED Cc1ccc(Cl)c(O[C@@H](C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 917044324 QZQAUIXEHQAABH-WCQYABFASA-N 438.858 5.921 30 20 IKED CCOC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917045589 YFXKFMLHNQVUIN-CQSZACIVSA-N 433.411 5.374 30 20 IKED N#C[C@H](C(=O)/C(=C/c1ccc(F)cc1)c1cccs1)c1nc2cc(Cl)ccc2s1 917046200 HQYWYNYFUOQYTE-BRVCPTFNSA-N 438.936 6.567 30 20 IKED CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)c1ccccc1OCC#N 919828948 JNNCXJOUDCXTHX-UHFFFAOYSA-N 428.410 5.530 30 20 IKED CN(c1ccc(OC(=O)C2(C#N)CCCCC2)cc1)S(=O)(=O)c1ccc2ccccc2c1 920016589 FUXGWXWCMJBQMN-UHFFFAOYSA-N 448.544 5.044 30 20 IKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)C3=CCCS3)cc2)CCC1 1786414792 OHXGTEDNWIVBOW-UHFFFAOYSA-N 440.685 5.192 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccs4)cc3)CCC2)c1 1787277819 XXDGBLPTHLYILU-QGZVFWFLSA-N 429.545 5.437 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc4nc(C)ccc4c3)cc2)CCC1 1789033056 FICQYMRDYNPCAF-UHFFFAOYSA-N 445.588 5.210 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c(-c4ccc(C)cc4)c3)CCC2)cc1 1792263009 CJVNYVWHYDYDAX-UHFFFAOYSA-N 425.532 5.151 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(Cl)cc4)no3)CCC2)cc1 1792264500 ZZRVLFWFGYODDD-UHFFFAOYSA-N 447.922 5.156 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Oc2ccccc2)cc1 1800346510 BHBWRVRLEUGBAT-LNEBKTTKSA-N 444.575 5.499 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccnc1 1802497670 YTJQZYPRIOAKAO-IRLDBZIGSA-N 439.987 5.047 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3scnc3c2)[nH]n1 1814829008 MHXBTXOKPCICCT-HXUWFJFHSA-N 449.580 5.094 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c(-c3ccc(C)cc3)c2)n[nH]1 1816101573 LYXWTUABHZIMTD-JPYJTQIMSA-N 445.567 5.231 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2C(C)(C)C)n[nH]1 1817707656 AMRIJLPTODKULY-OAQYLSRUSA-N 449.599 5.177 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2C(C)(C)C)[nH]n1 1819304545 FCVNLLQXHMUMLS-NQIIRXRSSA-N 449.599 5.177 30 20 IKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](C)c3ccc(Cl)cc3)CC2)C1 1823971759 LTQOJFFQFYBJQA-FDDCHVKYSA-N 429.004 5.029 30 20 IKED Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832633012 AZAOYLCPQLUXLM-RLWLMLJZSA-N 443.591 5.169 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2cc(C)cc(C)c2)cc1 10172608 ZYEWYPHXJAPCJC-UHFFFAOYSA-O 431.625 6.211 30 20 IKED C[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)NC1(C#N)CCCCC1 15223235 ZWCWVCQFMZKICQ-GOSISDBHSA-N 443.576 5.029 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(OC)cc2)cc1 22731224 IYHYGKVUXGKVLR-UHFFFAOYSA-O 433.597 5.603 30 20 IKED Cc1cc(CSc2ncccc2C(=O)Nc2cccc(C#Cc3cccs3)c2)no1 25750210 MHRVRFFDNPJBTP-UHFFFAOYSA-N 431.542 5.384 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)c1ccc(Br)cc1 32788323 RFNWDIPODGKNIH-OAHLLOKOSA-N 442.382 5.181 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCc1ccc(-c2csc(C)n2)s1 63401021 CFWZCUNCHNLYAK-UHFFFAOYSA-N 442.566 5.029 30 20 IKED CCOC(=O)c1sc(NC(=O)c2sc(-c3ccc(C)cc3C)nc2C)c(C#N)c1C 63569209 VOMHORVFNRQQRB-UHFFFAOYSA-N 439.562 5.406 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 64455718 AKSUCXVXYBYLKZ-UHFFFAOYSA-N 443.887 5.234 30 20 IKED N#Cc1cc2c(nc1SCC(=O)Nc1c(Cl)cc(Cl)cc1Cl)CCCC2 96994874 BVGHDUNDMKFBGF-UHFFFAOYSA-N 426.756 5.523 30 20 IKED C[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 103323754 CBWRGPNURGKIKX-LRSOKBAUSA-N 445.592 5.036 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 107576199 OUCBUOFANJETNC-LBPRGKRZSA-N 425.287 5.049 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CCCOc2ccccc2Cl)cc1 116231386 UVJNJSBVHKKYOB-UHFFFAOYSA-N 434.923 5.783 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c(C)n1-c1cccc(Cl)c1 195662807 CGVGTWISFPAGOJ-HXUWFJFHSA-N 432.936 5.756 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(C)c([N+](=O)[O-])c2)cs1)c1ccc(F)cc1F 208895416 UMNNJPBYOYGZKH-VURMDHGXSA-N 443.431 5.219 30 20 IKED COc1ccc(CNCc2ccc(-c3ccc4c(c3)CCCO4)cc2)cc1OCCCC#N 237545336 REJRCKZYDRDOEY-UHFFFAOYSA-N 442.559 5.660 30 20 IKED C=CCOc1ccc(/C=C2/CN(CC)Cc3c2nc2ccccc2c3C(=O)O)cc1Cl 409701749 BCFLKSVIPMUTMZ-ATVHPVEESA-N 434.923 5.527 30 20 IKED CC(C)c1ccc(Cn2nccc2NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 429544414 YEQSVDCOMVWSRZ-UHFFFAOYSA-N 443.551 5.002 30 20 IKED Cc1cc(-c2cc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)c3c(C)noc3n2)c(C)o1 430579745 CUMPCHQKZCVECU-MRXNPFEDSA-N 434.521 5.652 30 20 IKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)c12 430621400 JLHFBLBOUAWITD-AWEZNQCLSA-N 434.521 5.850 30 20 IKED N#CCCC[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F)c1ccccc1 431301060 SSBNPVPFHHKPNF-KRWDZBQOSA-N 442.293 5.829 30 20 IKED N#CCCn1cc(CNCCSCc2ccc(Cl)cc2Cl)c(-c2ccncc2)n1 433331123 LHLNJKHYWLQVLM-UHFFFAOYSA-N 446.407 5.189 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N[C@H](c1cc(F)ccc1F)C(F)F 433618348 RWFZOUACWDXZQZ-LSDHHAIUSA-N 426.307 5.403 30 20 IKED COc1ccc(-c2ncc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)s2)cc1OC 436019979 DIWLQIFHUJKBMP-CQSZACIVSA-N 448.331 5.129 30 20 IKED O=C(N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 438044754 ZOZRCRQELLITGH-AULYBMBSSA-N 448.329 5.478 30 20 IKED N#Cc1cc(NC(=O)N2CCCc3c([nH]c4c(F)cccc34)C2)ccc1OCC(F)(F)F 439340104 LGTAQXJIRJZFSV-UHFFFAOYSA-N 446.404 5.100 30 20 IKED CCc1cc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1C 440555370 LHIPBODFLDCZMM-JOCHJYFZSA-N 431.923 5.444 30 20 IKED Cc1ccccc1-n1c(Sc2ccc(C(F)(F)F)c(C#N)n2)nnc1-c1cccnc1 443435991 ZLVGBAANKJTNPW-UHFFFAOYSA-N 438.438 5.074 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2C(F)(F)F)on1 462194663 SKMOFKCXVLBYAS-PXNSSMCTSA-N 425.410 5.272 30 20 IKED N#Cc1ccc(OCCNCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 462768851 WWSYUGZTMQXHAV-UHFFFAOYSA-N 440.330 5.286 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 463110693 ZMTIYSRLBLLBRA-UHFFFAOYSA-N 442.353 5.233 30 20 IKED CN(C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)[C@H]1CCCC[C@H]1C(F)(F)F 463654943 HSMURQRBVDYWED-HZSPNIEDSA-N 448.354 5.654 30 20 IKED CN(C)c1cc(CNC(=O)c2ccccc2Sc2ccccc2C#N)c2ccccc2n1 465105138 WPADSWDEQKUSMO-UHFFFAOYSA-N 438.556 5.254 30 20 IKED CC(C)(C)OC(=O)CCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 466629721 WJGRPIDJBGKHNQ-IBGZPJMESA-N 427.932 5.239 30 20 IKED CC(C)CO[C@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 469697958 NFZHJDINXMECLK-FQEVSTJZSA-N 427.932 5.069 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccccc2O[C@H]2CCOC2)cc1 470253611 DHKRGUDXVAWHBP-QHCPKHFHSA-N 445.494 5.099 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(N3CCCCC3)cc2)cc1 471352776 ZRQGIOSFRZSWAO-UHFFFAOYSA-N 425.532 5.574 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1noc(-c2ccccc2)n1 472665162 VSLHLKRGPPRXQH-OAHLLOKOSA-N 428.423 5.031 30 20 IKED N#CC(CCN1CCC[C@H](c2nnc3n2CCCCC3)C1)(c1ccccc1)c1ccccc1 472762792 FADHWDSDCDMBTD-QHCPKHFHSA-N 439.607 5.084 30 20 IKED Cc1ccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(-c2nc(C3CC3)no2)c1 472838430 VIYINBFMSVYLHV-UNMCSNQZSA-N 427.508 5.226 30 20 IKED Cc1cccc(CC2(O)CCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)c1 477712338 CUMYMNDPYXCDMC-UHFFFAOYSA-N 442.584 5.228 30 20 IKED CC(C)N(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1cccc(C(F)(F)F)c1 479083388 FOTFJCOYCNPUSX-UHFFFAOYSA-N 425.410 5.820 30 20 IKED Cn1ccnc1[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1ccccc1F 479508158 BZGZZLIWIACIGI-HSZRJFAPSA-N 442.519 5.101 30 20 IKED Cc1ccccc1-c1ccc(CN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C(C)C)s1 481163062 MCIVOTDHJBSUPT-UHFFFAOYSA-N 435.524 5.110 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccccc1C 481365823 AKDAPDJZKPFZLV-HNNXBMFYSA-N 446.498 5.578 30 20 IKED CCc1onc(-c2ccc(Br)cc2)c1C(=O)[C@@H](C#N)c1nc2ccccc2n1C 483435564 GHLGKUCMHNMRDU-OAHLLOKOSA-N 449.308 5.043 30 20 IKED N#Cc1ccc(SCC(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc1 486996992 BBSQOZWOIYKPRT-UHFFFAOYSA-N 436.924 5.586 30 20 IKED C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 488021919 FMPWNQAGJZNANN-CJAUYULYSA-N 441.506 5.134 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)N3c4ccccc4CC[C@@H]3C)o2)cc1 489739469 DOJJSWIYADUEGD-IRXDYDNUSA-N 435.549 5.150 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 494104012 BMVGJXLYACCSPK-DEOSSOPVSA-N 442.519 5.205 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccc(F)cc3)C3CCOCC3)cc2)cc1 494744657 BADJRVJMUKMQEG-UHFFFAOYSA-N 445.494 5.703 30 20 IKED O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1cnc2ccccc2c1C(F)(F)F 500234191 VHAIOYBXMSJFMK-UHFFFAOYSA-N 446.322 5.976 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(NC(=O)N(C)C)ccc1Cl 501726658 MDWKKNUYHWFFDA-UHFFFAOYSA-N 448.910 5.658 30 20 IKED Cc1ccc(-c2nnc([C@@H](C)Sc3nc4c(c(-c5ccco5)c3C#N)CCC4)o2)cc1 501774091 JLTHZJLUFIERTP-OAHLLOKOSA-N 428.517 5.914 30 20 IKED COc1ccc(C#N)cc1NC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 502522106 SRVPEIGMMBYEOI-UHFFFAOYSA-N 441.318 5.503 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCCC[C@@H]2Cc2ccccc2)cc1 503286275 WFCVUOKKYKVNNN-RUZDIDTESA-N 439.559 5.961 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1)c1ccccc1 504418527 KGMGZFFWMXYPJO-FGZHOGPDSA-N 449.599 5.135 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCc2cc(F)c(F)c(F)c2)cc1 508195747 PHZPSEMPLAZJHQ-UHFFFAOYSA-N 426.463 5.240 30 20 IKED C=CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 508496695 GAESWYSIPKZPNN-SFHVURJKSA-N 447.514 5.016 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1 510823886 HPVXTPNWZRMAGY-QFQXNSOFSA-N 441.531 5.948 30 20 IKED Cc1ccc(CN(Cc2cccs2)C(=O)NCC(C)(C)CCC#N)c(Br)c1 513113948 UWYCWZHHITZKNQ-UHFFFAOYSA-N 448.430 5.861 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(C(=O)Nc3cccnc3)cc2)c1 513123097 JTQPTWMFLMFPTP-UHFFFAOYSA-N 448.482 5.037 30 20 IKED Cc1cc(N(CCC#N)C(=O)CN[C@@H](c2c[nH]c3ccccc23)C(F)(F)F)ccc1Cl 513162427 YELQBAOKIRPRQO-NRFANRHFSA-N 448.876 5.270 30 20 IKED CCN(CC)CCOc1cc(NC(=O)c2ccccc2-c2ccccc2C#N)ccc1OC 513383101 NNCHCOKNSGDFCC-UHFFFAOYSA-N 443.547 5.207 30 20 IKED N#C[C@@H](C(=O)c1sc(-c2ccco2)nc1-c1ccccc1)c1nc2ccccc2s1 513659956 ILMBBYQHFXXVRZ-HNNXBMFYSA-N 427.510 6.170 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)nc2ccccc21 513692376 MVEUJSMGAPTMRR-FQEVSTJZSA-N 431.948 6.009 30 20 IKED CCN(Cc1c(F)cccc1F)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 513983983 XBSNUKVSYDVOBC-UHFFFAOYSA-N 445.520 5.034 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccc(Cl)c2ccccc12 515282680 LBGVDWWWJISHGP-UHFFFAOYSA-N 443.890 5.878 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 517520382 BQRFADCKOHQRNG-SGTLLEGYSA-N 431.970 5.176 30 20 IKED CN(CC(=O)Nc1cccc(Cl)c1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 518259221 FPEWWMOWBCFTJN-UHFFFAOYSA-N 434.883 5.106 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCCCC(=O)Nc1ccc(Cl)cc1 518683506 WOPNVAYMXQYQND-OAHLLOKOSA-N 430.961 5.132 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCc2c(Br)cccc21 520195516 AZDLZJOTYALWOQ-GUYCJALGSA-N 430.371 5.652 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)c2)c1 522481008 TXTZRKWBQUTVOF-JOCHJYFZSA-N 436.496 5.146 30 20 IKED COc1cccc(N2CC[C@@H](NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)C2)c1 523947171 RRVAGYTWWYSAEG-GOSISDBHSA-N 447.922 5.021 30 20 IKED COc1ccc(S[C@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 524388301 WJWNJUHPLVAEPL-GOSISDBHSA-N 432.545 5.574 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)nc2ccccc21 534189897 DUGXJLAAAKTRGT-KRWDZBQOSA-N 426.863 5.381 30 20 IKED C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCCCC2(C#N)CCOCC2)nnc1-c1ccco1 538569620 GEORWGUGRINHLU-LWYYNNOASA-N 440.613 5.728 30 20 IKED Cc1sc([C@@H](C)N[C@H](C)C(=O)NC2(C#N)CCCCC2)nc1-c1ccc(Cl)cc1 541646272 CXNKQFDTECHRSQ-HUUCEWRRSA-N 431.005 5.154 30 20 IKED CCCc1c(NC(=O)c2ccc(COc3ccccc3C#N)o2)cnn1-c1cccc(F)c1 542416749 LDUMKNYZRICBCH-UHFFFAOYSA-N 444.466 5.260 30 20 IKED COC(=O)c1cccc(CN[C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)c1C#N 542591081 ROFYYMAHXWSCPJ-CYBMUJFWSA-N 425.941 5.281 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CN[C@H](C)c2ccc(C#N)cc2)cs1 549171615 DISQCOANHUZIKM-CQSZACIVSA-N 444.482 5.569 30 20 IKED C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(Nc2cccc(C)c2)CC1 549647213 VGTRANJGERKIGW-UHFFFAOYSA-N 440.595 5.247 30 20 IKED COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)c1sc2ccc(C#N)cc2c1C 550342453 MFTLMHWFBLOXBC-UHFFFAOYSA-N 447.560 5.359 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NC3CCN(c4ccc(C#N)cc4)CC3)s2)cc1 552062682 CZDBOBIPQOBBKR-KRWDZBQOSA-N 432.593 5.318 30 20 IKED CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 554884011 AVPBGZQFBSUXTB-FQEVSTJZSA-N 435.867 5.555 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCCC2(CCOCC2)C1 558996617 MEILMKUVAWSHBQ-SFHVURJKSA-N 430.980 5.045 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)CCc1ncc(-c2ccccc2F)o1 566991929 YSWVHPGRTBOSCN-UHFFFAOYSA-N 425.463 5.518 30 20 IKED N#Cc1cc(C(=O)Nc2cc(Cl)ccc2NCc2ccccc2)cnc1C(F)(F)F 575855207 INCPRRNDFHYGEG-UHFFFAOYSA-N 430.817 5.490 30 20 IKED CC(C)Cn1ncc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1C1CC1 577525996 XVDYCRHGCCOEJT-UHFFFAOYSA-N 443.551 5.706 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)[C@H](C)Cc1ccccc1C(F)(F)F 584131807 YUHRIYLUYAPUAE-JKSUJKDBSA-N 435.515 6.052 30 20 IKED CN(C(=O)c1cccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1)c1ccccc1 591861684 AVQPYDJVIORLLR-IBGZPJMESA-N 445.931 5.716 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1C[C@H]1c1cc2c(cc1OCC)C[C@@H](C)O2 594304171 QAUURWLFEKLDRX-DKSSEZFCSA-N 447.000 5.377 30 20 IKED Cc1oc(NC(=O)[C@H](C)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c(C#N)c1C 598930253 NXWXXDQAXMSDHN-ZDUSSCGKSA-N 442.972 5.238 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1sc(-c2ccccc2)cc1C#N 603969019 VNEHXPBNDIZXKW-UHFFFAOYSA-N 433.514 5.754 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnnn2-c2ccccc2Cl)cc1Cl 604528287 QHVXWJBMKWZURF-GOSISDBHSA-N 448.313 5.482 30 20 IKED O=C(NCCc1ccc(F)cc1)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 608762867 IIKUNRZZVFPXGL-UHFFFAOYSA-N 445.338 5.022 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)(C)C 608898781 DIGXLDLIVQHVSP-NRFANRHFSA-N 434.506 5.269 30 20 IKED COc1ccccc1OCCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609206977 ZSCMPRPOYSNOCV-NRFANRHFSA-N 449.938 5.595 30 20 IKED CCCN(C(=O)CCc1ncc(-c2ccccc2Cl)o1)c1cc(Cl)ccc1C#N 609286552 YAWJPYIAHHXIRU-UHFFFAOYSA-N 428.319 5.896 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3OCc3cccs3)cn2)c1 609326745 AANLBWGAPLHADQ-UHFFFAOYSA-N 427.485 5.638 30 20 IKED CCN(CC)c1nc2sc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2s1 609431342 LJFJKZSJELCRGB-CYBMUJFWSA-N 430.624 5.851 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl 609813051 RAJVSHCIAXCDNT-STQMWFEESA-N 436.364 5.061 30 20 IKED C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 609970969 WFVLFMXYGOFWEG-ATIQYGATSA-N 430.470 5.262 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCC(OCc3ccccc3F)CC2)c1 611262026 LIJRGQBZOLVGLD-UHFFFAOYSA-N 444.506 5.098 30 20 IKED CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 611835415 BSMWBNUDTUCFDQ-UHFFFAOYSA-N 433.821 5.080 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(O[C@@H](C)c4ccccc4)nc3)n2)cc1 613319162 SRSINKWUPAFXFT-AVRDEDQJSA-N 439.540 6.144 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccoc2)[nH]n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613344289 CZCKUCIHKKVICN-ZDUSSCGKSA-N 429.288 5.590 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1Cc2cccc(Br)c2C1 642723112 HFPADCCNTJBCGW-UHFFFAOYSA-N 448.368 5.209 30 20 IKED Cn1c(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)nc2cc(C(F)(F)F)ccc21 678208631 UPHKGOBVHOITBG-GHMZBOCLSA-N 433.318 5.155 30 20 IKED C=CCOc1ccc(/C=C/C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1OC 726864924 PBZMPOZZQFONOJ-UACNQURRSA-N 445.519 5.077 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)n1 730397458 ULLAQAXCXYBEDC-XLIONFOSSA-N 440.521 5.169 30 20 IKED CC(C)c1cc(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccccc2n1 731069677 LBRFEOBJJBWTEJ-QGZVFWFLSA-N 447.560 5.405 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(SCc3ccccc3)cc2)ccc1OC 733230728 SFZUFTKPOQPMPK-JOCHJYFZSA-N 446.572 5.598 30 20 IKED Cc1cc(C(=O)N[C@@H](C#N)c2ccccc2Br)c(C)n1[C@@H](C)c1ccccc1 733267517 YHCZKNAKESKARN-AOMKIAJQSA-N 436.353 5.471 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H](C)Oc2ccccc2Cc2ccccc2)c1 733769970 ABSFCVDSNQHQSY-YKSBVNFPSA-N 428.532 5.042 30 20 IKED C=CC[C@@H](NC(=O)c1ccc(COc2ccccc2Br)cc1)c1ccncc1 734461210 XHGZBSPENUGECM-OAQYLSRUSA-N 437.337 5.470 30 20 IKED COc1ccc2c(c1)C(=O)/C(=C\c1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)CC2 741847663 JNQBDVKSHOLHOG-WJDWOHSUSA-N 438.936 5.702 30 20 IKED Cc1ccc(Br)cc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 744031501 YXAKAKZWYIYHME-CYBMUJFWSA-N 426.097 5.026 30 20 IKED Cn1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1-c1ccccc1 744037853 GNAKGKZPAOSYOV-HNNXBMFYSA-N 425.435 5.811 30 20 IKED COc1cc(Br)c(/C=C\C(=O)c2ccc(SC(F)F)c(OC)c2)cc1O 746346519 QUPQLWKWZGCZMB-HYXAFXHYSA-N 445.281 5.383 30 20 IKED CCCCCCOc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 749147825 RQSMWSRWVKRDPO-UHFFFAOYSA-N 433.552 5.008 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1ccnn1C1CCCCC1)c1ccc(C(F)(F)F)cc1 750290933 FWUXGTQNYZVVAE-LJQANCHMSA-N 448.489 5.169 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1C#N 752305381 NMMQISXDSBANJI-ZDUSSCGKSA-N 434.418 5.370 30 20 IKED COc1ccc(/C=C(\C)C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1F 755602655 OXGPWVRVPJZUJW-BBKFTCMMSA-N 444.462 5.377 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)c3nc(-c4ccccc4)oc3-c3ccccc3)CCO2)c1 762312615 FSTUKQNZRCWJSA-HSZRJFAPSA-N 435.483 5.094 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(C4OCCO4)c3)cc2Cl)c1 764123749 JHRLJHORXRUHPK-UHFFFAOYSA-N 434.879 5.088 30 20 IKED N#C[C@@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)C(=O)Nc1ccc(Cl)cc1 769942514 MRTDEKUDYUPESX-HVVQPJKBSA-N 427.209 5.287 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N2CCC(n3c(CC)nc4ccccc43)CC2)cc1OC 771788323 JCNIZXSQKDGBHQ-QBFSEMIESA-N 445.563 5.049 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2ccc(OC[C@H]3CCCCO3)c(F)c2)c1 772986527 YDUAZXRAHJAIGI-JMUQELJHSA-N 426.532 5.305 30 20 IKED C#CCOc1ccc(F)cc1NC(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 779613710 RWQKGRBJNCGPOO-HXUWFJFHSA-N 434.471 5.037 30 20 IKED COc1ccc(C2(CNC(=O)Nc3ccccc3O[C@@H](C)C#N)CCCCC2)cc1OC 780677701 XXNXOIYPMDCKPP-SFHVURJKSA-N 437.540 5.018 30 20 IKED CN(Cc1ccccc1)Cc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)c1 784829460 RFAUBCHENBSIHL-OAQYLSRUSA-N 449.913 5.072 30 20 IKED N#Cc1ccc(COC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)c(F)c1 787833318 KMAMFLPYGKBSTC-UHFFFAOYSA-N 434.254 5.120 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1OC 790517768 LUZMVRDKXWFSIK-WMZHIEFXSA-N 444.531 5.127 30 20 IKED O=C(C[C@H]1SC(=Nc2ccsc2)N(CC(F)F)C1=O)Nc1ccc2ccccc2c1 790736026 OGXGCYFNNDHJFE-QGZVFWFLSA-N 445.516 5.127 30 20 IKED Cc1cc(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)cc(Cl)c1Br 790868465 XIBMKWKJUDSRCF-UHFFFAOYSA-N 429.057 5.097 30 20 IKED CC(C)N1C(=O)C[C@H](C(=O)[C@@H](C#N)c2nccc3ccccc23)[C@H]1c1ccc(Cl)c(F)c1 792107455 VVVIWWZDSBUTCN-AXHZCLLHSA-N 449.913 5.202 30 20 IKED CC(C)(C#N)c1ccc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)cc1 796039849 SFUOQUYCXUAXRT-UHFFFAOYSA-N 428.513 5.474 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)/C=C/Sc1cc(F)ccc1F 797937050 CJQAATXIPVRYDS-MYSGNRETSA-N 448.516 5.004 30 20 IKED Cn1cc(CNCc2cc(C(F)(F)F)ccc2Br)c(-c2ccc(C#N)cc2)n1 810151049 BNHHUZHBJACJKA-UHFFFAOYSA-N 449.274 5.030 30 20 IKED N#C[C@H](C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1cc(C(F)(F)F)ccn1 813211093 DBNOCQBBOGPYJM-XHSDSOJGSA-N 427.451 5.636 30 20 IKED N#C[C@@H](C(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1)c1cc(C(F)(F)F)ccn1 813211165 FIVKAKBIVMFBQR-IERDGZPVSA-N 448.416 6.088 30 20 IKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813214693 CFPZWMBWMYLLMH-OAHLLOKOSA-N 436.231 5.072 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102886 KAWBPGIEVCYTNE-INIZCTEOSA-N 429.328 5.956 30 20 IKED O=C1/C(=C/c2cccs2)CN(C(=O)c2ccccc2Cl)C/C1=C\c1cccs1 915990672 UPQDPLHCYCAXNO-JOBJLJCHSA-N 425.962 5.655 30 20 IKED CCOc1cc(/C=C\C(=O)c2cccc(F)c2)ccc1OCC(=O)N(C(C)C)C(C)C 916134223 HLMDARPOIVWRAT-BENRWUELSA-N 427.516 5.145 30 20 IKED COc1cc(C=NNc2ncnc3scc(-c4ccc(C)cc4)c23)ccc1OCC#N 916543156 KJDGBIHJIYNHHV-UHFFFAOYSA-N 429.505 5.024 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(OC3CCCC3)c(OC)c2)cc1 916948655 IXFKXFIBQUEYFG-JTSKRJEESA-N 434.536 5.491 30 20 IKED Cc1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c(Br)c1 917047172 SQIAZQLZLPTXNP-AAEUAGOBSA-N 449.757 5.664 30 20 IKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(C(C)C)c1 917713661 NMCRLNQWUSQTLP-JOCHJYFZSA-N 433.577 5.020 30 20 IKED CN(C)CCN(CCCc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 921235706 UYRZFMDBERPFSK-HHHXNRCGSA-N 440.591 5.370 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4[nH]ccc4n3)CCC2)cc1 1789453833 GOWNPJQALGUUPQ-HXUWFJFHSA-N 428.536 5.079 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)n4ccccc34)cc2)CCC1 1789990317 CGTBYQIPDAIAHK-UHFFFAOYSA-N 449.554 5.930 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CCC2)cc1 1790295907 MMQHQWZOAKPCTC-UHFFFAOYSA-N 443.934 5.468 30 20 IKED COc1c(Cl)cccc1C(=O)Nc1ccc(C2(NC(=O)[C@H](S)C(C)C)CCC2)cc1 1792145163 IZYLTWQVWGXJCC-HXUWFJFHSA-N 447.000 5.051 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3ccoc23)[C@H]1c1cccnc1 1810502826 MIBZKFFCUKWAIW-GMAHTHKFSA-N 445.563 5.140 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)ccc2C)[C@H]1c1cccnc1 1810503928 WRPQLEVYKVUEIT-UPVQGACJSA-N 433.596 5.010 30 20 IKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1812221364 KIEYZMDEBLVYJG-VNZMSGEBSA-N 447.604 5.137 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccccc3o2)n[nH]1 1818630406 GMQSVVWLIIZXBO-ICSRJNTNSA-N 432.524 5.230 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ncccc23)CC1 1828027999 WZNSESVGAJSVAE-VWLOTQADSA-N 447.623 5.461 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3cccc(Cl)c3)CC2)CC1 1828340076 XSLHKBHNHBQFJI-CVDCTZTESA-N 443.031 5.204 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C)c2F)CC1 1828825728 YIUJJXBVFHAXJB-GGAORHGYSA-N 426.576 5.136 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)ccc2Cl)CC1 1830576917 LVLWLHQIZQTAOI-OFNKIYASSA-N 446.994 5.481 30 20 IKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 1832829437 NMINTIOKHAKHDZ-RUZDIDTESA-N 444.575 5.126 30 20 IKED N#Cc1c(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)cn2ccccc12 10418737 GVNPREQOCAXKHU-UHFFFAOYSA-N 445.935 5.656 30 20 IKED CCOc1cc(-c2nnc(SCc3ccc(C#N)cc3F)o2)cc(OCC)c1OCC 11318306 MVMPUKNKPXZNNN-UHFFFAOYSA-N 443.500 5.236 30 20 IKED Cc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2SC[C@H](C#N)CCC#N)cc1 15240088 ZRLONIAEPDKEBY-UCHNXLLDSA-N 442.588 6.039 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCCN2CCc3ccccc32)cc1 29521007 MSLUSEGTSDSUOW-UHFFFAOYSA-N 427.573 5.033 30 20 IKED Cc1cc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c(C)n1Cc1ccccn1 32290983 LDPOPRLLVJELPP-UHFFFAOYSA-N 436.515 5.251 30 20 IKED C[C@@H](OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1F 105080086 OOTYNUHLBGFLTN-MRVPVSSYSA-N 441.274 5.186 30 20 IKED C#CCN(Cc1ccc(F)cc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 109330232 LJMOTWXTGQYSCX-UHFFFAOYSA-N 431.294 5.382 30 20 IKED N#C[C@@H](C(=O)c1cc2c(s1)CCCCCC2)c1nc(O)c2c3c(sc2n1)CCCC3 301757948 DQLGCOIQOZTQME-HNNXBMFYSA-N 437.590 5.486 30 20 IKED N/C(=N/Cc1ccc(C(=O)N2CCCCC2)cc1)Nc1cccc(Oc2ccccc2)c1 304478866 IQNMJMVPPLWXOE-UHFFFAOYSA-N 428.536 5.032 30 20 IKED N#CCCC[C@@H](NC(=O)N[C@H]1CCOc2c(Br)cccc21)c1ccccc1 431312345 IVPMOBRKHWYOMA-MOPGFXCFSA-N 428.330 5.007 30 20 IKED C[C@H](Sc1ccccc1)c1ccc(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 433027015 SHJPKQNQRGFCSO-PGRDOPGGSA-N 444.560 5.492 30 20 IKED Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 436152566 MXRLIYXVNAOUCF-IBGZPJMESA-N 442.302 5.042 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](Cc3ccc(F)c(F)c3F)C(C)=O)o2)cc1 436213512 YVWVUIRYSSASSO-KRWDZBQOSA-N 434.439 5.011 30 20 IKED CCCN(CCC)C(=O)c1ccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 437765159 ZNFGHZBIHZLHBG-RPWUZVMVSA-N 432.568 5.252 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H]2CCN(c3ccccc3)C2)cc1F 438654999 KHHKWVWIGQVICX-SFHVURJKSA-N 430.483 5.138 30 20 IKED CO[C@H](C)c1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 439554176 UCDQTFMFOMNOAP-OAHLLOKOSA-N 449.894 5.289 30 20 IKED CCCc1c(NC(=O)N(C)Cc2ccc(F)cc2Cl)cnn1-c1cccc(C#N)c1 439681449 JNWOMWYVRDTJLA-UHFFFAOYSA-N 425.895 5.153 30 20 IKED CCCc1c(NC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)cnn1-c1cccc(C#N)c1 440096344 GVKZUTLGPAIVJH-UHFFFAOYSA-N 438.487 5.411 30 20 IKED Cc1ccnc(Oc2ccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)cc2)n1 440828619 HRZODJDJCHZDKM-UHFFFAOYSA-N 436.471 5.280 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(F)c(F)cc1Br 441340500 ZNTVHINRZBCWRY-UHFFFAOYSA-N 444.235 5.347 30 20 IKED C[C@@H](CC#N)N(C)c1nnc([C@@H](C)Oc2ccc3ccccc3c2)n1Cc1cccs1 461316884 VOTKLPFPBHBXGV-ZWKOTPCHSA-N 431.565 5.419 30 20 IKED C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)[C@H]1c1cccc(F)c1 461836577 VDTGVSPABVZVDL-PUZWTLIVSA-N 445.542 5.112 30 20 IKED Cc1ncsc1-c1nc2ccccc2n1CC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 463573455 IFFQEYROOFFJEC-UHFFFAOYSA-N 443.576 5.025 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c12 464934748 DRUKUSKKNZOVEA-KNQAVFIVSA-N 440.503 5.347 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2ccc(CC#N)cc2)c2ccccc2Cl)c(OC)c1 466379270 WTSXIAKIFHUIDH-QHCPKHFHSA-N 435.911 5.334 30 20 IKED COC(=O)COc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)c2ccccc12 469177567 WYQBOOQCYURQBG-UHFFFAOYSA-N 436.467 5.183 30 20 IKED CCc1ccc(-c2noc([C@H](C)NC(=O)Nc3ccccc3SC[C@H](C)C#N)n2)cc1 473818176 MXARROCMBBLTKF-CVEARBPZSA-N 435.553 5.433 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(Br)c(OCC)c(OC)c1 476122435 RPTWNJRCFJRAPQ-UHFFFAOYSA-N 432.358 5.961 30 20 IKED O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1c[nH]nc1C1CC1 476142794 IIQZSUQWXDEMTI-CYBMUJFWSA-N 445.285 5.358 30 20 IKED Cn1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1NC(=O)NCC(C)(C)CCC#N 478575526 USLYFILXKCIKDB-UHFFFAOYSA-N 427.858 5.211 30 20 IKED O=C(CCOCC(F)(F)C(F)(F)F)Nc1ccccc1-c1cc(F)c(F)c(F)c1 479906010 ZKHDTJJNTJEOFB-UHFFFAOYSA-N 427.291 5.314 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(Br)c(O)c3)c2)cc1 483209804 PLIOWFSSZSSAJC-UHFFFAOYSA-N 437.293 5.052 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccccc3OC[C@@H]3CCCCO3)c2)cc1 483357430 VFWRHYWWOOSZHW-QHCPKHFHSA-N 428.488 5.551 30 20 IKED CCOc1ccc(-c2nc(CC)c(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)s2)cc1 483436676 DLHRLUKYKONCHA-INIZCTEOSA-N 445.466 5.675 30 20 IKED C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)c1cnc(C(F)(F)F)c(C#N)c1 483898239 RSWYSOTUWCNVDK-OPAMFIHVSA-N 435.449 5.191 30 20 IKED COc1cc(C#N)cc(OCc2csc(N(C(C)=O)c3cccc(C(F)(F)F)c3)n2)c1 486108506 LWJUUXSBBZFUFB-UHFFFAOYSA-N 447.438 5.306 30 20 IKED Cc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nn1-c1ccccc1 487095206 RTFHFTXTPUQTPX-JOCHJYFZSA-N 426.907 5.742 30 20 IKED Cc1cc(C)c(C(=O)N[C@H](CCCC#N)c2ccccc2)cc1I 487210029 MGPHYJYSOPQQFZ-LJQANCHMSA-N 432.305 5.073 30 20 IKED Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N[C@@H](CCCC#N)c1ccccc1 487546271 VYUBJPVBJDUOEH-IBGZPJMESA-N 426.442 5.569 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(C(C)C)c3-c3ccccc3)n2)cc1 488059942 UQKHOBONBQXOBZ-FQEVSTJZSA-N 442.544 5.753 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1cccs1 489394787 DMPPSTVMTNAHCD-CYBMUJFWSA-N 449.001 5.282 30 20 IKED C[C@H](NC(=O)NCC(C)(C)CCC#N)c1nc(-c2ccc(Br)cc2)cs1 499538628 ILUHWQJBGDHYPY-ZDUSSCGKSA-N 435.391 5.263 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(OCC)c(OC)c1 502634147 MEPDBXJCKZDNFB-UHFFFAOYSA-N 437.309 5.216 30 20 IKED Cc1cc(C(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)nn1-c1cccc(C#N)c1 503614497 FBYNLWRFUTUESY-UHFFFAOYSA-N 436.437 5.001 30 20 IKED N#Cc1ccc(CC(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)cc1 505043349 BDJWNCMEHFEFMI-UHFFFAOYSA-N 441.384 5.150 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2cccc(OC(F)F)c2)cc1 508285027 GNWHGEGAGIINAZ-UHFFFAOYSA-N 439.418 5.282 30 20 IKED Cc1ccc(OCCN(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 509894412 BHQHHRKBCHYLAQ-UHFFFAOYSA-N 429.520 5.183 30 20 IKED COc1ccc([C@H](C)N(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 510025249 ASEACVBUPCZJAR-GAJHUEQPSA-N 433.939 6.229 30 20 IKED C/C=C/c1ccc(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 510593301 ZWSIVOYGNDHNGQ-DUXPYHPUSA-N 433.455 5.321 30 20 IKED N#C[C@H](NC(=O)c1cccc(COc2cccc(F)c2)c1)c1cccc(C(F)(F)F)c1 511421522 GLWYWNQDJDCTTH-NRFANRHFSA-N 428.385 5.418 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)c2cccc(COc3ccccc3C#N)c2)cc1OC 513107715 HJJKMYMVUVBMLE-HSZRJFAPSA-N 442.515 5.132 30 20 IKED CC(C)c1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccc(F)cc1 515540255 RVVBCIZVLQLYOD-INIZCTEOSA-N 437.425 5.370 30 20 IKED N#CCCSc1ccccc1NC(=O)c1cc(Cl)ccc1I 517441373 XNFHDAAXAFCMHH-UHFFFAOYSA-N 442.709 5.203 30 20 IKED COc1cc([C@H](C)NCc2cccc(OCc3ccccc3C#N)c2)ccc1OC(C)C 518271124 BLNXYQJKDDEGKB-FQEVSTJZSA-N 430.548 5.784 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](COc1ccccc1F)c1ccccc1 518683168 KQDCHNDODXICQD-PGRDOPGGSA-N 449.551 6.019 30 20 IKED Cc1ccc([C@H]2CCCN2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1C 520443268 ANGDRCPKXORFNE-HXUWFJFHSA-N 449.605 5.688 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)c1nc2cc(Cl)ccc2s1 520655333 ZEEQSJVMTVVKOD-SFHVURJKSA-N 447.903 5.331 30 20 IKED CC1CCN(c2ccc(CNC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)cn2)CC1 521811077 RHCAJACXEHOVBL-UHFFFAOYSA-N 441.535 5.304 30 20 IKED CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2occc2COc2cccc(C#N)c2)c1 522520852 JCFXNFVELCLLKD-HKBQPEDESA-N 436.533 5.030 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC3(c4nccs4)CCCC3)cc2Cl)cc1 522615838 LMHBXCHSMMYUNH-UHFFFAOYSA-N 438.940 6.051 30 20 IKED COc1ccccc1C1(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 523221416 DIGNUGPQPSUPIA-UHFFFAOYSA-N 443.522 5.150 30 20 IKED Cc1ccc(C)c([C@H](C)N(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 523420830 CEOOXACJJNAOEF-NRFANRHFSA-N 427.548 6.173 30 20 IKED C=CCN(C(=O)[C@H]1C[C@H]1c1cccc(OC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 524669497 FSPRXUNZHASITD-PMACEKPBSA-N 435.505 5.050 30 20 IKED Cc1nc(SCc2nnc(-c3ccc(C#N)cc3)o2)n([C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 525110703 GDDVMKQLQAKXQW-LGYWMIHWSA-N 433.581 5.711 30 20 IKED N#C[C@@H](NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1ccc(OC(F)(F)F)cc1 530637547 CDSOTXFAAODTCY-GOSISDBHSA-N 447.800 5.421 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccc3oc(C(C)C)nc3c2)nnc1-c1ccco1 532451741 JEJGUMRZYONBPG-UHFFFAOYSA-N 437.525 5.110 30 20 IKED CC(C)(C)[S@](=O)Cc1cccc(NCc2cccc(OCc3ccccc3C#N)c2)c1 532898201 XRMRKJQBBIOWLS-WJOKGBTCSA-N 432.589 5.797 30 20 IKED COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 534876104 PAUNQKALSXRDQF-UHFFFAOYSA-N 435.867 5.223 30 20 IKED C=CCn1c(SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)nnc1-c1cccc(C)c1 536306983 UPPKKETXTIRBNB-UHFFFAOYSA-N 433.493 5.295 30 20 IKED C=CCN(C(=O)Nc1ccc(Sc2ccc(C(C)C)cc2)cc1)[C@H]1CCS(=O)(=O)C1 538353918 IHVLNLIDZJEXPA-FQEVSTJZSA-N 444.622 5.168 30 20 IKED C=CCOc1c(Br)cc(CN[C@H](c2ccccc2)[C@H]2CCOC2)cc1OCC 538967701 BQEZLFYRMAWRGA-SIKLNZKXSA-N 446.385 5.280 30 20 IKED COc1cc(CN(C)C(=O)c2ccccc2Oc2ccccc2C#N)ccc1OC(F)F 539788541 IFUNYUVOGYRDOB-UHFFFAOYSA-N 438.430 5.233 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(C#N)c(Cl)c3)s2)c(C(F)(F)F)c1 548610895 UJPAYEWCZITQSU-UHFFFAOYSA-N 446.841 5.402 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 549197428 UDNOKWPHHBLAOJ-LBPRGKRZSA-N 448.737 5.019 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)cc1 552754298 KANLIVQZSXWPHL-UHFFFAOYSA-N 449.457 5.026 30 20 IKED N#Cc1ccc(NC(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)cc1F 565626704 OHKJJNWSHJFWFC-INIZCTEOSA-N 425.508 5.005 30 20 IKED C=CCn1c([C@H]2COCCO2)nnc1N(Cc1ccc(-c2ccc(C)cc2)s1)C(C)C 582992475 FFKKLOPYZIVIIO-OAQYLSRUSA-N 438.597 5.004 30 20 IKED CC(C)Cn1ccc2c(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cccc21 584878538 FWTLGUZQGZHOBR-GOSISDBHSA-N 444.560 5.376 30 20 IKED C[C@@H](SCc1nnn(CC(F)(F)F)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 589575207 JPBSQXBSQQYZGO-SSDOTTSWSA-N 438.319 5.267 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)[C@@H](Sc2cc(F)ccc2F)c2ccccc2)cc1 592604485 GXDZKHDCESWLMF-QFIPXVFZSA-N 438.499 5.353 30 20 IKED N#Cc1ccc(CNc2ccc(C(=O)NCc3ccc(F)cc3)cc2)c(C(F)(F)F)c1 600848878 YAGHRULLBGGGLA-UHFFFAOYSA-N 427.401 5.258 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](c4nc5ccccc5o4)C3)cn2)cc1 603690390 OEPNNCZTRXPAGR-GOSISDBHSA-N 439.475 5.298 30 20 IKED CN(Cc1nc2ccccc2s1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 603828358 VOUVSOGQIUXGDJ-UHFFFAOYSA-N 442.544 5.605 30 20 IKED O=C1[C@@H](Nc2ccc(Oc3ccccc3C(F)(F)F)c(F)c2)CCN1CC(F)(F)F 604064121 PMPCLQLIMPMCHZ-AWEZNQCLSA-N 436.327 5.212 30 20 IKED FC(F)(F)c1cc(N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)nc(-c2cccnc2)n1 604882240 IQAKEAOGCIKULX-PHIMTYICSA-N 444.301 5.125 30 20 IKED Cc1nc(CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)oc1-c1ccccc1 609298528 JHXCRZKURNNBBB-UHFFFAOYSA-N 437.499 5.672 30 20 IKED COc1ccccc1C[C@H]1CCCN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 609306240 IXAHZKGVXBXGTL-HXUWFJFHSA-N 430.479 5.346 30 20 IKED N#CCN1CCC(NC(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)CC1 609328910 QVQSTYKCWCSQGN-UHFFFAOYSA-N 434.392 5.003 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccccc1S[C@@H](C)CC#N)O[C@H](C)C2 609428364 CSAUAJCYZZXBDH-JMVFIXPQSA-N 436.577 5.545 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)n1 609440884 LKVJYUUXTFCEKV-QGZVFWFLSA-N 443.484 5.132 30 20 IKED CCO[C@H](C)c1nc(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cs1 609753666 HMZPGNHIHCVOIZ-KGLIPLIRSA-N 431.627 5.506 30 20 IKED COc1ccc([C@@H](C)CCNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1 610202792 CAFNVXAGSZDNJY-IBGZPJMESA-N 430.552 5.013 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)CC2)cc1 611247535 IQEGBCPPHRXOMP-PIIMJCKOSA-N 445.407 5.266 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)N1CCC[C@@](C)(C#N)C1 612376059 PYLFHWXIYAXEJZ-XOBRGWDASA-N 447.402 5.277 30 20 IKED C=CCNC(=O)Nc1ccc(N[C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)cc1 630026878 SOSUWUZQHVEBQO-XMMPIXPASA-N 444.535 5.103 30 20 IKED C=CCC[C@H](NC(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(C(F)(F)F)cc1 676730764 JZWSMWYHVROWKH-YWZLYKJASA-N 439.499 5.036 30 20 IKED N#C[C@@H](C(=O)C1CCC(NC(=O)CC2CCCC2)CC1)c1nc(-c2ccccc2)cs1 726321625 KJYPXRLUTHQFMW-CBNMVNINSA-N 435.593 5.242 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)o2)cc1 727990062 ZMBQCPDVAFIKQG-RUZDIDTESA-N 433.467 5.638 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2CCC[C@@H]2c2ccccc2C(F)(F)F)c1=S 728051290 WZRJJENJLGJIOR-LJQANCHMSA-N 445.514 5.475 30 20 IKED N#CCOc1ccc(CSc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)cc1 729241107 KLNMONZWKMNXRM-UHFFFAOYSA-N 430.508 5.327 30 20 IKED CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 730531577 RUWYZUOEAIIRCU-HSZRJFAPSA-N 449.551 5.060 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cccc(OC2CCCC2)c1 731288056 ONDPRWJSERCWPB-IBGZPJMESA-N 430.476 5.284 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 731542234 VSVUZTCNDPJQMX-AOMKIAJQSA-N 444.000 5.569 30 20 IKED Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 731638784 MBFNZSJPHLUXQE-HSZRJFAPSA-N 430.504 5.272 30 20 IKED CCCCCCCCCN(C)C(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 731753565 NUIBUDNUGHIADU-UHFFFAOYSA-N 429.561 5.120 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@H]2c2ccc(F)c(F)c2)c1=S 732981215 RIOOABIUUUUJNL-HXUWFJFHSA-N 442.535 5.348 30 20 IKED Fc1ccc(C(F)(F)F)cc1C=Nn1c(S)nnc1-c1ccccc1Br 733201210 GQLDNSBGXHJIBD-UHFFFAOYSA-N 445.239 5.036 30 20 IKED C[C@@H](OC(=O)C1(Sc2ccccc2)CCCC1)C(=O)Nc1sc2c(c1C#N)CCC2 733555729 AJFNLMZSTDWNPU-OAHLLOKOSA-N 440.590 5.084 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(SC(C)(C)C)cc2)ccc1OC 733632107 RFSRTXFBFJDBML-GOSISDBHSA-N 427.570 5.588 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)C(CC)(CC)Cc2nc3ccccc3s2)c1 733787323 OPQIZNWESUEJLJ-IBGZPJMESA-N 435.593 5.643 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nc(-c3ccccc3)ccc2C#N)cc1 733902187 BHSLGTMYDMFDOV-IBGZPJMESA-N 426.545 5.356 30 20 IKED C=CC[C@H](NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccncc1 734359759 AQRHJYLJAVQMBE-XZOQPEGZSA-N 433.939 5.030 30 20 IKED CCCN(Cc1ccccc1O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 735863001 YZXQVXXOWZSWNS-UHFFFAOYSA-N 429.520 5.481 30 20 IKED COc1cc(COC(=O)C2(c3ccccc3F)CC2)ccc1OCc1cccc(C#N)c1 736887663 GREJVLQIDRZFPK-UHFFFAOYSA-N 431.463 5.060 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1 737832806 QESULUMBCCRGKS-UHFFFAOYSA-N 446.482 6.040 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2ccc(COC3CCCC3)cc2)cc1 740434286 DFOUKCPWNDFGIO-SANMLTNESA-N 425.532 6.445 30 20 IKED Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1NC(=O)CC(C)C 741903765 VHDRXWXUGSYEES-DEOSSOPVSA-N 425.532 5.887 30 20 IKED Cc1nnc(-c2ccc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)cc2)o1 741944992 XDBVCHXNOAHBHY-UHFFFAOYSA-N 430.851 5.615 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)CSc3cccc4cccc(Cl)c34)o2)c1 744476708 ULFSLVSNODQPGJ-UHFFFAOYSA-N 435.892 5.250 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 750691080 OGBPRACNJOJUNX-AUSIDOKSSA-N 448.567 5.111 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2 751252391 NGTZJNWREYNFCO-WDXRGRCHSA-N 427.470 5.271 30 20 IKED CCCCc1ccc(N(C)C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 752372982 XCHSCHNUWRXVQA-UHFFFAOYSA-N 432.524 5.028 30 20 IKED Cc1nc(C2(NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CCCCCC2)no1 757199072 PPOAXSNFPCLRBU-JOCHJYFZSA-N 429.524 5.405 30 20 IKED O=C1CSc2sc(C(=O)/C=C/c3c(Cl)nc(Cl)n3-c3ccccc3)cc2N1 758027615 WMVFKYPXCXUPET-VOTSOKGWSA-N 436.345 5.181 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCCSc2nccs2)cc1 758587575 ZFSQIWUIIMUDOJ-UHFFFAOYSA-N 438.578 5.092 30 20 IKED Cc1sc(CNC(=O)Nc2ccc(F)cc2OCC#N)nc1-c1ccc(Cl)cc1 761668918 UDAGSKCVLSVKEE-UHFFFAOYSA-N 430.892 5.135 30 20 IKED N#Cc1cccc(COc2ccc(NCc3nc(-c4ccc(F)c(F)c4)no3)cc2F)c1 767805935 FBEZGKKCIFMIGT-UHFFFAOYSA-N 436.393 5.217 30 20 IKED N#Cc1ccc(Oc2ccc(OC(=O)C3(OCc4ccccc4)CCOCC3)cc2)cc1 772157703 FAUFQASVBNMLAZ-UHFFFAOYSA-N 429.472 5.022 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 779449863 QSFVDMRQNSJUPV-DOTOQJQBSA-N 429.904 5.223 30 20 IKED COc1ccc(CN(C(=O)Nc2ccccc2O[C@H](C)C#N)C2CCCCC2)cc1OC 780669218 DGNNZOXUDVZRPN-GOSISDBHSA-N 437.540 5.361 30 20 IKED CC(C)[C@H]1CN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CCN1C(=O)OC(C)(C)C 782038590 FCWBVMXWDZIVPI-PKOBYXMFSA-N 446.617 5.048 30 20 IKED CC(=O)N(C)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 786318258 WVZGHIAPXMNWDF-QGZVFWFLSA-N 444.343 5.590 30 20 IKED C#CC[C@H](NC(=O)N1CCC(c2nc(-c3ccccc3OC)cs2)CC1)c1ccccc1 790436972 GPCQRQFUPLEQCR-QFIPXVFZSA-N 445.588 5.472 30 20 IKED C=CCn1c(CSc2ccccc2OC)nnc1N1CCC(c2ccc(F)cc2)CC1 800775378 LAFIPEVJMWQVGX-UHFFFAOYSA-N 438.572 5.288 30 20 IKED C[C@H](OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1nnc(-c2ccc(Cl)cc2Cl)o1 803921978 DDKILXFGYIEGDS-NSHDSACASA-N 446.265 5.390 30 20 IKED N#Cc1c(F)cccc1/C=C1/CC2(CCOCC2)C/C(=C/c2cccc(F)c2C#N)C1=O 811691427 MRPMUMBVPOEYEG-YZLQMOBTSA-N 430.454 5.335 30 20 IKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915350162 KETRHXPPRNAYHS-UTKZUKDTSA-N 426.545 6.177 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 915353161 LSSKOKSHXRBPCO-FYYLOGMGSA-N 438.556 6.321 30 20 IKED CCOc1ccc(/C=C(\C(=O)Nc2cccc(OC)c2)C(=O)c2ccccc2)cc1OC 916156208 NJVFXCQCFZJONO-JCMHNJIXSA-N 431.488 5.008 30 20 IKED Sc1nnc(-c2ccccc2Cl)n1N=Cc1sc(Nc2ccccc2)nc1Cl 916278444 PMIVYBGMHZXRCS-UHFFFAOYSA-N 447.376 5.623 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)Nc3cccc(OCC#N)c3)cc12 916409839 KHZPWPUUOPQIHM-UHFFFAOYSA-N 436.924 5.263 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1 916900739 VXOWRARDIDSMHY-MRXNPFEDSA-N 429.423 5.099 30 20 IKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)oc2ccc(Cl)cc12 916904464 DKLDIQCNYOHNES-LJQANCHMSA-N 444.874 6.148 30 20 IKED C=CCN(C(=O)c1cc(-c2ccccc2)nc2ccccc12)c1nc(C(=O)OCC)cs1 920242755 LVQWHXFBWHSWBV-UHFFFAOYSA-N 443.528 5.368 30 20 IKED CSc1nc(O)c(C(=O)Nc2ccc(CSc3ccc(F)cc3)cc2)cc1C#N 1584868162 BOVJWJCICRGLGD-UHFFFAOYSA-N 425.510 5.064 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cccnc4-c4ccccc4)CCC3)cc2)C1 1785806652 JNBWVQSTPBQRAS-UHFFFAOYSA-N 437.543 5.463 30 20 IKED C[C@H](C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3)cc2)CCC1)c1cccs1 1790258252 XAUMYTYRQIHNOG-KRWDZBQOSA-N 429.545 5.171 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(F)c4F)cc3)CCC2)cc1 1790328635 BDXTYPCVNVLSGD-UHFFFAOYSA-N 445.469 5.092 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(-c4cc[nH]n4)cc3)cc2)CCC1 1790740250 MMDDIVTUBOLSBH-UHFFFAOYSA-N 440.547 5.018 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c(-c3ccc(C)cc3)c1)C2 1798332921 JOHIMNWLXFQXSC-KIHHCIJBSA-N 431.580 5.010 30 20 IKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)CC1 1810119063 MLMHUNSAGXSBFZ-UHFFFAOYSA-N 447.623 5.100 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](C)c3ccc(Cl)cc3)CC2)C1 1823698129 JFGRDUCVTSDLPP-JPYJTQIMSA-N 429.004 5.029 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C(F)(F)F)CCC2)CC1 1829067225 GBUXSHOQUDVQOR-IBGZPJMESA-N 442.566 5.331 30 20 IKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829907916 SOCRQHRIXPQWPR-DEOSSOPVSA-N 432.564 5.288 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccccc2C)[n+]2ccc3c(c2)CCCC3)c1 11167770 XGPPYFMKAKNKAL-UHFFFAOYSA-O 429.609 5.829 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)ccc1C)=C(/S)Nc1cccc(Cl)c1C 11258415 VNITTYZZHHIZBJ-UHFFFAOYSA-O 438.016 6.166 30 20 IKED C=CCN(C(=O)CSCC(=O)Nc1ccc(C)cc1)c1nc(-c2ccccc2)cs1 14723673 AOGKCPZERMKWIK-UHFFFAOYSA-N 437.590 5.009 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2cccc(CC)c2)cc1 14872273 FRFPEJIVHIIIBN-UHFFFAOYSA-O 445.652 6.465 30 20 IKED Cc1nc(SCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c(C#N)c(C)c1C 19142796 UFDQPOXASATOQI-NRFANRHFSA-N 425.554 5.077 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2sc3ccccc3c2Cl)cc1 22926462 WHWHZEWCYPGMJH-OAHLLOKOSA-N 426.925 5.355 30 20 IKED C=CCn1c(C)nnc1SCc1nc2ccccc2c(-c2ccccc2)c1C(=O)OCC 23551055 UPOZHZFCFWPGAX-UHFFFAOYSA-N 444.560 5.457 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1Cl 60739908 NFYIUTKTOVEZEA-JOCHJYFZSA-N 441.918 6.222 30 20 IKED C[C@@H](NC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc(C#N)cc1 61633237 RYDPOQCUNXRGRA-HXUWFJFHSA-N 435.531 5.030 30 20 IKED COc1cc(C(=O)/C=C\c2cc(C)c(OCc3ccccn3)c(C)c2)cc(OC)c1OC 206628562 USTZVNIUORCSBD-KTKRTIGZSA-N 433.504 5.199 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)cc1 303007042 NXMFYDKYAXJTDE-MRXNPFEDSA-N 446.378 6.033 30 20 IKED Cc1nc(CCC(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)oc1-c1ccc(Br)cc1 303253358 BUBHNPVEOGQGGM-MRXNPFEDSA-N 449.308 5.098 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 303274978 IKSFVIYDYNHDQE-LLVKDONJSA-N 432.389 6.228 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C 303315634 SCVOYOHTEKTMIU-KRWDZBQOSA-N 449.576 5.344 30 20 IKED C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)c1ccc(C#N)cc1 303740028 YUDHNRQXXQHPFU-QFBILLFUSA-N 429.549 5.330 30 20 IKED CC(C)(C)N1C[C@@H](c2nc(-c3ccc(F)cc3C(F)(F)F)no2)[C@H](C(F)(F)F)C1 426427691 PEKFOKXBALWYAC-DGCLKSJQSA-N 425.348 5.271 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2csc(C)n2)cc1 429358335 SQFVINZOFOIQSQ-HXUWFJFHSA-N 434.521 5.493 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCCC[C@H]1c1ccc(F)cc1F 432018048 FKOWNSLKNKGIAA-IERDGZPVSA-N 429.536 5.382 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H](c3ccccc3)C2)cc1 432922035 JDNJDNNDFBDNJC-HSZRJFAPSA-N 425.532 5.743 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 435672819 RVOVIMBWTCBERY-CQSZACIVSA-N 438.475 5.232 30 20 IKED Cc1oc2ccc(NC(=O)C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cc2c1C 437322999 JTHMSRDJKMKJDJ-UHFFFAOYSA-N 439.471 5.078 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1F 437485447 RGTRSAMIXWFPRA-OAQYLSRUSA-N 432.451 5.300 30 20 IKED CC(C)c1nccn1Cc1cccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 437734551 IGYLYYJOJWYZPA-BJKOFHAPSA-N 427.552 5.358 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 437839377 MNLKCSLLFBYJNK-IQGLISFBSA-N 445.494 5.792 30 20 IKED C[C@@H](Nc1cccc(OCc2cccc(F)c2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 439567143 VZMCICMJPCWALS-GOSISDBHSA-N 435.474 5.291 30 20 IKED CCCc1c(NC(=O)N2CCCCC[C@H]2c2ccncc2)cnn1-c1cccc(C#N)c1 439701114 IHBUMDUAVYDEOL-QHCPKHFHSA-N 428.540 5.241 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)c1nc(-c2ccncc2)cs1 442867552 YXENFIJFLZAZIE-QGZVFWFLSA-N 435.430 5.779 30 20 IKED COc1cc(C#N)ccc1OCCN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444731738 JPIJSUFMJRMFMB-INIZCTEOSA-N 432.364 5.248 30 20 IKED COc1cc(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)cc(OC)c1OC 460340611 UZXAAQGKOOIBGZ-UHFFFAOYSA-N 436.895 5.084 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)Cc1csc([C@@H](C)OCC)n1 463997316 QSVUUYDMURJQEE-CYBMUJFWSA-N 428.476 5.096 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(NC3CCOCC3)cc2)cc1 464914548 DXTSVCUDAZOGBW-UHFFFAOYSA-N 427.504 5.502 30 20 IKED Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470532333 ONUXDXIEZJCGHY-RUZDIDTESA-N 432.568 5.439 30 20 IKED N#CC[C@H](CC(=O)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1)c1ccccc1 476213232 AJASMMVDELQLRG-HXUWFJFHSA-N 446.938 5.688 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)C(F)(F)F 476399174 SNGRYYBSPOSINC-OAQYLSRUSA-N 440.469 5.324 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CCc1nc(O)c2c3c(sc2n1)C[C@@H](C)CC3 476789880 FUNCPLGMGWSLHU-INIZCTEOSA-N 449.620 5.945 30 20 IKED O=C(N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)N1CC=C(C(F)(F)F)CC1 482322356 WQWHSWYUKSIXJV-LBPRGKRZSA-N 436.274 5.093 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N[C@H](C(=O)Nc3ccccc3)c3ccccc3)c2)cc1 482813363 PNDBHDLOTQWQIL-SANMLTNESA-N 447.494 5.460 30 20 IKED C=CCN(CC1CCCCC1)C(=O)c1ccc(OCc2cc(C)no2)c(Br)c1 482831463 ZMIMFZAZCVEYMM-UHFFFAOYSA-N 447.373 5.533 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1F 483231534 NNSDDJMNIAUOML-VWLOTQADSA-N 438.462 5.796 30 20 IKED CCCN1CCC(N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 483465702 ZDYCNJSRWJUNDM-UHFFFAOYSA-N 426.948 5.342 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1C 491558969 XAOKGPUEBRZLSQ-UHFFFAOYSA-N 431.492 5.340 30 20 IKED COc1cc(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc(OC)c1C(C)C 495305405 RZWBQZCTVAKWDL-UHFFFAOYSA-N 437.540 5.211 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](c1ccccc1)c1cccc2ccccc12 496614357 YMMCQHAFSPCOLB-HHHXNRCGSA-N 440.543 5.802 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 497654138 KQEQBITVEFCBTI-UHFFFAOYSA-N 425.366 5.082 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 500737254 BKCAVWBGJSAVTM-SIKLNZKXSA-N 439.515 5.207 30 20 IKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1 501104207 LJJRJPMIWRPBAC-UHFFFAOYSA-N 433.515 5.128 30 20 IKED N#C[C@@H](C(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1nc2ccccc2n1C(F)F 502761123 RBVBKUABHWHSJS-AWEZNQCLSA-N 445.351 5.126 30 20 IKED CC[C@@H](C)n1ncc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c1C1CC1 505346105 VNCCXCITTXLVSK-KOSHJBKYSA-N 428.536 5.305 30 20 IKED C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@@H](c2ccco2)C1 508506017 DNEIVYGNUQWFBJ-MRXNPFEDSA-N 426.929 5.170 30 20 IKED CC[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(OC)cc1 509919161 JZKZTESZQKPXID-VWLOTQADSA-N 429.520 5.613 30 20 IKED Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cnn1C1CCCCC1 510299718 RNEVUDZELVIRLP-UHFFFAOYSA-N 428.536 5.594 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1C1CCCCC1 512729416 JKNSQVNJORHVPG-OAHLLOKOSA-N 426.492 5.589 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)n1 514364393 CWMQIMLJIGBLKN-NSHDSACASA-N 445.869 5.212 30 20 IKED CC(C)c1noc2ncc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cc12 514574898 GURARGLYVDLAJN-FQEVSTJZSA-N 430.895 5.907 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc4c(ccc5ccccc54)[nH]3)s2)cc1 515937587 JOFQBEMWQVAKNB-UHFFFAOYSA-N 441.541 5.589 30 20 IKED Cn1c([C@@H]2CCCCN2C(=O)c2cn(CCCC#N)c3ccccc23)nc2ccccc21 516386933 CWMAMGKGZZVZJI-DEOSSOPVSA-N 425.536 5.199 30 20 IKED CC(C)NC(=O)Nc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 519053453 HQUKAMGBICRMIW-UHFFFAOYSA-N 443.507 5.202 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CN(C)[C@H](C)c2cccc(C(F)(F)F)c2)cc1 519903736 WOUIICVODHCSPH-QGZVFWFLSA-N 433.474 5.044 30 20 IKED CCCN(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[C@@H]1CCc2ccccc21 519913480 ZWRGKLKBNMIMLB-HXUWFJFHSA-N 449.605 5.633 30 20 IKED CC(C)(C)c1csc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)n1 520575860 KVIRGJOSTRBTNI-UHFFFAOYSA-N 438.528 5.352 30 20 IKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(CN(CCC#N)CC(C)(C)C)cs1 535962840 IFNJWSYUCAWWMB-UHFFFAOYSA-N 439.412 5.896 30 20 IKED N#Cc1ccsc1NC(=O)CCN[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 537221708 UNWFVSDJDVJQQP-KRWDZBQOSA-N 427.879 5.361 30 20 IKED Cc1cc(NC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)Cc2cccs2)nn1CCC#N 538620300 BPEITUKWWICCLL-INIZCTEOSA-N 441.988 5.485 30 20 IKED CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 541072746 XJCJAXPHCSDDND-ZWKOTPCHSA-N 443.572 5.542 30 20 IKED Cc1nc(C(C)(C)C)sc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 553338922 RWODDGYJQWDTAI-UHFFFAOYSA-N 427.517 6.026 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 554224857 LYWYGVSCWGBLCW-UHFFFAOYSA-N 437.519 5.187 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC(c4c[nH]c5ccc(F)cc45)CC3)o2)cc1 561720868 YUINXAALXMTYMQ-UHFFFAOYSA-N 443.478 5.370 30 20 IKED C[C@@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccc(Oc2cccnc2)cc1 570880281 UEOMZLUJJAKXPH-LJQANCHMSA-N 437.503 5.142 30 20 IKED CC(C)Sc1ccc(Cl)cc1NC(=O)N1CCCN(c2ccccc2C#N)CC1 572994060 LMXROLSLRWZYEN-UHFFFAOYSA-N 428.989 5.456 30 20 IKED CC[C@@H](NC(=O)c1ccccc1)c1noc(-c2ccc(OCc3ccccc3C#N)cc2)n1 580362914 KHZMPGAJUAOGJZ-HSZRJFAPSA-N 438.487 5.068 30 20 IKED Cc1cnc(C2CCN(c3nnc(-c4ccc(C#N)cc4)n3Cc3cccs3)CC2)s1 580418682 ZCJVLASBQOSJDY-UHFFFAOYSA-N 446.605 5.076 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)C3c4ccccc4Oc4ccccc43)CC2)c(F)c1 581003230 OVDBNZBYBJZBOL-UHFFFAOYSA-N 428.463 5.005 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 588666716 VSXSTUIFAVZMCY-SFHVURJKSA-N 441.375 5.425 30 20 IKED C=C(CNC(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1)c1ccccc1 589070100 NKGQKBOEVDUUFY-UHFFFAOYSA-N 447.585 5.127 30 20 IKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 601186423 PSKAMPYRTAJNTF-UHFFFAOYSA-N 436.515 5.233 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C3(c4cccc(Br)c4)CC3)cn2)cc1 603765181 RMJJKUPYSDBHBN-UHFFFAOYSA-N 434.293 5.178 30 20 IKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 604520007 ZETVSVMFMSOQAE-SQHAQQRYSA-N 440.543 5.377 30 20 IKED O=C(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 605016573 IOIYUUXLRDCKNP-CMPLNLGQSA-N 434.302 5.088 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3c[nH]nc3-c3ccc(Cl)cc3)c2)c1 609165270 LBSBXWRXFANVEA-UHFFFAOYSA-N 441.878 5.106 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3ccc(COc4ccc(Cl)cc4)cc3)CC2)c1 609184560 DEBBZLKTVCRLJS-UHFFFAOYSA-N 446.934 5.474 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3ccc(N4CCCCCC4)nc3)c2)cc1 609209131 SJGSSZORFVHJDG-UHFFFAOYSA-N 441.535 5.448 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCc2[nH]c3ccc(Cl)cc3c2C1 609385395 AYGRKXMKTAPZDN-OAHLLOKOSA-N 438.984 5.212 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C1=Cc2cc(Br)ccc2OC1 609428515 NRSIBXRQAZSOJS-CYBMUJFWSA-N 429.339 5.258 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N(Cc2ccc(O)cc2)Cc2ccco2)cc1 609710028 JNNBSYGKJWPKJU-UHFFFAOYSA-N 442.446 5.631 30 20 IKED CN(C)[C@@H](CNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1cccs1 609729793 UFGDKDKKGDGCLB-IBGZPJMESA-N 425.941 5.098 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2nc(-c3ccoc3)no2)cc1Cl 610040437 RLKABMQFGZSMAG-IBGZPJMESA-N 432.867 5.210 30 20 IKED Cc1cccc([C@@H](C)CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 610165144 QIJGLRUBGQNJLV-FDDCHVKYSA-N 445.950 5.162 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2cc3ccccc3o2)nnc1-c1ccoc1C 613908189 QNUPPRWTIPEDCY-OAHLLOKOSA-N 436.537 5.090 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cnc2ncc(Br)cc2c1 614830552 FKRRPIMBLNGYIX-LBPRGKRZSA-N 427.327 5.039 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2sc3cc(C)ccc3c2Cl)c1C#N 614968478 UEFWLJYMQQJSAZ-UHFFFAOYSA-N 438.965 5.895 30 20 IKED Fc1ccc([C@H](C[C@@H]2CCOC2)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 644532194 YBKXCIBJOGXBBA-OWCBBSPXSA-N 427.404 5.793 30 20 IKED C=CCn1c(Sc2nc(C)nc3sc(-c4ccccc4)cc23)nnc1-c1ccncc1 669623644 AUQFFOGYVSDDLP-UHFFFAOYSA-N 442.573 5.657 30 20 IKED COc1ccc(C(=O)Nc2ccc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)s2)cc1 675130487 ORVMBROFNNCWGR-SFHVURJKSA-N 427.485 5.047 30 20 IKED O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 678538113 NNHMUZYAEWXMGV-MBTKJCJQSA-N 444.326 5.532 30 20 IKED COc1ccc(C(C)=NN(C(=S)Nc2cccc(Cl)c2)C(C)(C)C)cc1NC(C)=O 726419394 BIUDMFFGGVSLJG-UHFFFAOYSA-N 447.004 5.529 30 20 IKED N#C[C@H](C(=O)[C@H](OC1CCCC1)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 727039404 XFNNFGAHNIVOMV-NFBKMPQASA-N 436.964 6.340 30 20 IKED Cc1c(Cl)cccc1NC(=S)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728175008 FGDWNCKRXDGZEZ-UHFFFAOYSA-N 425.916 6.047 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)OCc3coc(-c4ccc(F)c(F)c4)n3)o2)cc1 728629105 IGTBVZSSIZQZLD-UHFFFAOYSA-N 436.370 5.020 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=S)Nc1ccc(C#N)c(Cl)c1 729164785 OJANAKCXDPQHLN-LBPRGKRZSA-N 430.961 5.830 30 20 IKED Cc1ccc(NC(=O)CON=C(Cc2nc3ccccc3n2C)c2ccccc2)c(Cl)c1 730100799 XVVOPIPMLOIOQC-UHFFFAOYSA-N 446.938 5.137 30 20 IKED N#C[C@@H](C(=O)CCSc1ccc(Br)cc1)c1nc2cc(F)ccc2s1 730416286 CIFZWJUHABHTFF-AWEZNQCLSA-N 435.343 5.557 30 20 IKED C[C@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1nc2ccc(Cl)cc2[nH]1 732543911 MREDJWGSHOIWFD-HNNXBMFYSA-N 430.895 5.158 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 733034158 RLLTUSFJUVHWOT-RUZDIDTESA-N 447.485 6.093 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)c1 733843583 QYBBKNRIDMYBAI-HNNXBMFYSA-N 441.837 5.284 30 20 IKED CCCOc1nc2ccccc2cc1/C=C/C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 734082941 JOAZAKLAEKVRHK-DUIUGDAFSA-N 440.528 5.432 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)cc2)CCO1 736496710 MKYCBVOEGPHNJR-IBGZPJMESA-N 427.504 5.022 30 20 IKED COC(=O)[C@@H](N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C)c1ccc(C#N)cc1 739994992 OLFCIADBOMIUBW-DJJJIMSYSA-N 425.941 5.209 30 20 IKED CSc1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 741111666 UZBVEQCJURJYST-SCLBCKFNSA-N 428.966 5.829 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)c1sc2cc(Br)ccc2c1Cl 741636160 ZIORGEQIGMZDJM-UHFFFAOYSA-N 438.705 5.721 30 20 IKED CCc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccccc1SCc1ccc(C#N)cc1 741822105 ZALUBOJMKUERAJ-GOSISDBHSA-N 444.556 5.597 30 20 IKED CC(C)Oc1ccc([C@H](O)CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 743238881 XKVXDRMLDMSQPD-JOCHJYFZSA-N 449.482 5.132 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2Cc3ccccc3C[C@@H]2c2ccccc2)c1=S 743375077 FXQPTBHKLDQVIR-XMMPIXPASA-N 439.588 5.419 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 744030812 MAKYIRLUYPRANU-ZNMIVQPWSA-N 442.129 5.751 30 20 IKED COc1cc(C(=O)/C=C/c2ccccc2OCc2ccccn2)ccc1SC(F)F 746345221 AXYWIRQRBGYAQG-PKNBQFBNSA-N 427.472 5.880 30 20 IKED CC[C@H](Oc1ccccc1Cl)C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 749028126 HWASBYFUBUYNLR-APWZRJJASA-N 426.925 5.506 30 20 IKED Cc1cc(CCC(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)ccc1Br 751831430 MXPQNBUFSCJLBT-MRXNPFEDSA-N 426.339 5.085 30 20 IKED COC(=O)[C@H](C)[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 754892351 YSCFPOBSVZVKKI-QFWMQHCXSA-N 427.504 5.014 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)CCCc2cc(Cl)sc2Cl)ccc1OC 755314688 GKOIIXHSDAEYHK-HNNXBMFYSA-N 441.380 5.384 30 20 IKED CN(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccc(Br)nc1 761745248 ZTQZJYWDDUWWRP-UHFFFAOYSA-N 442.700 5.438 30 20 IKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@H]3CCC(F)(F)C3)C2=O)cc1 763209324 CPKSQHBFFGJXLH-OALUTQOASA-N 443.519 5.143 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccc(Oc2ccccc2)nc1 764749289 CKPQGZZYGQIEMY-UHFFFAOYSA-N 429.263 5.202 30 20 IKED C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 766725297 XTFVWVWCCYHBLW-SBUREZEXSA-N 434.536 5.232 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCCN1Cc1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 768782731 YGEUTOGMMVJAGY-AEFFLSMTSA-N 429.467 5.156 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2ccnc2)cc1 768971416 VLKHIQQTPRQNOW-PFBJBMPXSA-N 447.542 5.589 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2sc(Cc3ccccc3)nc2C)ccc1OC 772986633 PSSIKTYDYZBHOT-LAUBAEHRSA-N 435.593 5.583 30 20 IKED C#CCOc1ccc([C@@H](C)N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)cc1 773027459 QSMUKJFZOFPTGT-JIPXPUAJSA-N 447.600 5.159 30 20 IKED C[C@@H](OC(=O)[C@H]1CC[C@H](C(=O)O[C@H](C)c2ccc(C#N)cc2)CC1)c1ccc(C#N)cc1 778024958 SLYHADJVVBMWKJ-MCJPXMOYSA-N 430.504 5.145 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCCCC(=O)c3ccc(F)cc3)n2)cc1 778615902 ZMYPYQPPCXOTMZ-HXUWFJFHSA-N 436.508 5.577 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 781463488 QOEMXBBXQAOHGL-BZNIZROVSA-N 429.345 5.004 30 20 IKED COc1cccc(Cl)c1CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 790767776 NUURHSRBTCTLNM-SFHVURJKSA-N 434.879 5.031 30 20 IKED N#C[C@H](C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 796796217 CCRBVHBAAQKPON-GBIKHYSHSA-N 433.282 6.272 30 20 IKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1CC(F)(F)F 799221468 KLPCKUVPYUBNDY-GOSISDBHSA-N 449.498 5.080 30 20 IKED Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 801663264 LMWANNRHJBDDFP-VTAUTDEMSA-N 425.536 5.018 30 20 IKED CC(=O)Nc1ccc(NC(=O)c2cc(F)c(C(F)(F)F)cc2F)c(C(F)(F)F)c1 804204032 NXWPZGHXQNQBIZ-UHFFFAOYSA-N 426.263 5.213 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3cc(-c4ccco4)nc4ccccc34)CC2)c(F)c1 804627482 MSXSPBMZFBENCD-UHFFFAOYSA-N 441.462 5.189 30 20 IKED O=C(COC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)nc1Cl 811221244 AZALMEWZXOIPRB-CYBMUJFWSA-N 443.702 5.209 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(Br)c(CC)s1 815907955 OYOGGGOXESDQPF-AWEZNQCLSA-N 433.371 5.159 30 20 IKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)c1 837383783 QIOFCJBKLAXAKG-GCJKJVERSA-N 444.560 5.112 30 20 IKED COc1ccc(C(C)=O)cc1CC(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915102628 BAUPDLDGRMYQIJ-BSMLIHBTSA-N 448.588 5.241 30 20 IKED Cc1cc(C)n(-c2ccc(CCNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2)n1 915359113 NFJDGVGWPDAMFB-HHHXNRCGSA-N 449.558 5.509 30 20 IKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(CSc3ccc(C)cc3C)c2)c1 916889287 DVVVNDUYBYBBGD-QHCPKHFHSA-N 444.556 5.566 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 916902009 BFQUBWLLNREADU-HSZRJFAPSA-N 439.515 5.025 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C 916925148 GYDBFSOQECSZCY-OAQYLSRUSA-N 449.938 5.036 30 20 IKED Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1Cc1csc2ccccc12 917661946 TUPXBIIEOPGNKX-OAQYLSRUSA-N 449.601 5.010 30 20 IKED CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc2ccccc2c1 917698852 JDTXIECTWUUCAM-FQEVSTJZSA-N 439.487 5.098 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCCCCC(C)(C)C)C2 1779513421 UYFHTZDLVGCDLN-AJTFRIOCSA-N 448.692 5.489 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)Cc4ccccc4C(F)(F)F)CCC3)cc2)C1 1785807040 DRSBUQZOUMGQAL-UHFFFAOYSA-N 442.481 5.348 30 20 IKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc4c(Cl)cccc4s3)cc2)CCC1 1789092748 LTSFNZXZFWMKCZ-UHFFFAOYSA-N 437.952 5.606 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc4cncn4c3)cc2)CCC1 1789365578 TVLOOCDSAHDDIN-UHFFFAOYSA-N 430.552 5.074 30 20 IKED CC(C)c1ccc(C(=O)NC2(c3ccc(NC(=O)/C=N/N4CCCCC4)cc3)CCC2)cc1 1789515478 SVNWGEMHQXDSOX-TURZUDJPSA-N 446.595 5.029 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cccn4cncc34)CCC2)cc1 1789626296 JIKMMNYKFSJXEA-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc4cc[nH]c4cc3F)cc2)CCC1 1790071029 FRFNYLGSHPXRFA-UHFFFAOYSA-N 441.453 5.266 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)C4CC5(CCC5)C4)CCC3)cc2)cc1 1790708546 YGRGXTNEHSLDPI-UHFFFAOYSA-N 427.548 5.081 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/C2CCCCC2)[C@H]1c1cccnc1 1808524356 RCUKBTDTAPLDIT-OPTWZLGUSA-N 437.628 5.216 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ccncc23)[nH]n1 1814828545 OLLUNLFDBOSYNW-QHCPKHFHSA-N 443.551 5.032 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(Cl)cc2)n[nH]1 1816934300 XOCNYGHXQSMOIM-PZJWPPBQSA-N 440.975 5.066 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2cc3ccccc3o2)n[nH]1 1818813111 HIACFZZGMSPVOR-ZOMYRSGASA-N 432.524 5.074 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c(C(C)(C)C)c2)[nH]n1 1819553201 ZSFWNSMUGUWGOA-LJQANCHMSA-N 439.604 5.334 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)cccc2F)CC1 1828831127 ZWGQEPCZNQCOMZ-GGAORHGYSA-N 426.576 5.136 30 20 IKED CCCCC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1 1830716976 FDPSIJZTIABITM-DVECYGJZSA-N 441.591 5.147 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 1831290517 HZGXGDNBGWYAND-AUSIDOKSSA-N 443.031 5.204 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H](C)c2ccccc2)CC1 1831448128 IPABQPQILBYILU-DENIHFKCSA-N 432.555 5.011 30 20 IKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)CC1 1832700199 PRRPBNNMNZXWMD-AREMUKBSSA-N 428.576 5.000 30 20 IKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2cccc(O)c2)cc1 10827201 NQNJMHRVZGJJKS-UHFFFAOYSA-O 425.961 5.507 30 20 IKED Cc1ccc(N(CCC#N)C(=O)CSc2nc(C(F)(F)F)nc3ccccc23)cc1C 11011388 ZYWZUDKKWHYYOH-UHFFFAOYSA-N 444.482 5.304 30 20 IKED Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)[C@H](C#N)c3ccccn3)cc12 60488084 XGNIIOREOANNMN-CQSZACIVSA-N 441.343 5.646 30 20 IKED C=C(C)COc1cc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)ccc1OC 60791964 IWPRJBGDDWYPMI-MTJSOVHGSA-N 441.574 5.060 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 63389513 JSABWDVYWCXHNZ-UHFFFAOYSA-N 428.458 5.397 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1 72074605 QNOLGWZQHYQAKL-MRXNPFEDSA-N 444.466 6.030 30 20 IKED C=CCN(C(=O)c1csc(-c2ccc(OCC)cc2)n1)c1nc2c(s1)CCCC2 106034586 GIHISJIZLVZLHI-UHFFFAOYSA-N 425.579 5.377 30 20 IKED N#Cc1c(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)sc2c1CCCC2 116870285 NDKVRUSIXMPKOY-KRWDZBQOSA-N 448.375 5.049 30 20 IKED CC(C)Oc1ccc(CC[C@H](C)NC(=O)c2occc2COc2cccc(C#N)c2)cc1 303209160 ZUEGIOXBSGAUEH-IBGZPJMESA-N 432.520 5.269 30 20 IKED COc1ccc(Cn2c(S[C@H](C)c3ccc(C#N)cc3)nc3ccccc3c2=O)cc1 303667721 FOJPPMZIYXEVLO-QGZVFWFLSA-N 427.529 5.178 30 20 IKED Cc1cc(Br)ccc1CN(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 434008970 TUCGBWFVVMRWNL-UHFFFAOYSA-N 436.309 5.089 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 436350572 VZHVBAPRDOYCBW-UWJYYQICSA-N 425.319 5.091 30 20 IKED C[C@@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC[C@H]1c1ccccc1 437730069 BPANCYQMIWOUIG-JIPXPUAJSA-N 439.559 5.989 30 20 IKED CC[C@H](Cc1ccccc1)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 437889992 PHLKHRNPPUYGNG-XMMPIXPASA-N 426.520 5.296 30 20 IKED CCCc1c(NC(=O)N[C@@H](c2ccccc2)c2cccnc2)cnn1-c1cccc(C#N)c1 439671635 HJIQUTMMYWOLKF-VWLOTQADSA-N 436.519 5.003 30 20 IKED N#Cc1cc(NC(=O)C(=O)Nc2ccsc2)ccc1Oc1ccc(C(F)(F)F)cc1 440510285 XYEALDJZRUGYNU-UHFFFAOYSA-N 431.395 5.008 30 20 IKED C=CCC[C@@H](NC(=O)N1CCN([C@@H](C)c2cccnc2)CC1)c1ccc(C(F)(F)F)cc1 441532465 KSDAJVVMONVTSC-PGRDOPGGSA-N 446.517 5.196 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC=C(c2cccc3ccccc23)C1 442370881 PVUDWOMJWUQWKG-SFHVURJKSA-N 441.556 5.098 30 20 IKED N#Cc1cc(NCc2noc(C3CCOCC3)n2)ccc1Oc1ccc(C(F)(F)F)cc1 444403594 ZQUOPHDPMBKELX-UHFFFAOYSA-N 444.413 5.258 30 20 IKED N#Cc1ccc(CN2CCC(NCC3(c4cc(F)cc(C(F)(F)F)c4)CC3)CC2)cc1 463284927 DQWHRQMUTBMMCO-UHFFFAOYSA-N 431.477 5.002 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1Cc2ccc(O)cc2C2(CC2)C1 463511117 FGVJCLSAYUWLNK-UHFFFAOYSA-N 425.488 5.444 30 20 IKED C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 463875324 GRRLSHFJIPYIPN-NRFANRHFSA-N 441.531 5.098 30 20 IKED C=CCn1c(S[C@H](C)c2cnccn2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 464545251 FYHZJGLGZHCPJA-CYBMUJFWSA-N 438.553 5.402 30 20 IKED Cc1nc([C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c2ccccc2F)no1 464990746 ZNITYZKWNLRKCY-QHCPKHFHSA-N 442.450 5.009 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 465807978 IDUBGLATWPURPW-RSXGOPAZSA-N 449.558 5.066 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1 466079972 XZAXLORBCGYKSE-HXUWFJFHSA-N 427.548 5.915 30 20 IKED CCN(C(=O)c1cc(COc2c(Cl)cccc2Cl)on1)[C@@H](C)c1ccc(C#N)cc1 467810837 XNQRNCIDELVPOG-AWEZNQCLSA-N 444.318 5.655 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Nc3ccccc3O[C@@H]3CCOC3)cc2F)c1 470588558 TXGXREKJXNTDME-HXUWFJFHSA-N 447.466 5.088 30 20 IKED Cn1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c(-c2ccc(Cl)s2)n1 474977779 XMEKNDQWXIPPTE-JTQLQIEISA-N 433.345 5.555 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(C(F)(F)F)ccc1Br 476124935 ZOORUUXTFRLNAO-UHFFFAOYSA-N 426.276 6.572 30 20 IKED N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)cc1 477687330 BSNGDPOECXIKOX-INIZCTEOSA-N 426.423 5.022 30 20 IKED C=C(C)[C@@H](NCc1csc(N(C(C)=O)c2cccc(C)c2C)n1)c1ccc(F)c(F)c1 481584003 XTYZDFZXJKJDOB-HSZRJFAPSA-N 441.547 6.130 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccc(OC(C)(C)C)cc2)nnc1-c1ccco1 481863571 DJEWWJDOLSDLBT-UHFFFAOYSA-N 426.542 5.022 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)cc1Cl 482116038 UGIMZIYTHDKKHH-QHCPKHFHSA-N 439.902 5.807 30 20 IKED CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 482420179 ICYAAEYQRLGRCA-RUZDIDTESA-N 441.531 5.125 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(F)c(F)c3)n2)nnc1-c1ccc(Cl)cc1 483066424 FXDOBNBGIUKMBU-UHFFFAOYSA-N 444.894 6.010 30 20 IKED N#Cc1ccc(CN(C(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)C2CC2)cc1 483762746 QJEPYXNRGAATCA-OAQYLSRUSA-N 442.332 5.285 30 20 IKED C=CCN(C(=O)c1cnc2c(c1)ncn2C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 484116316 VQWZQCOFQLZRDI-UHFFFAOYSA-N 444.347 5.231 30 20 IKED N#Cc1c(NC(=O)CCSc2nnc(-c3cc4ccccc4o3)o2)sc2c1CCC2 484728766 QLPARCVOORRYHX-UHFFFAOYSA-N 436.518 5.026 30 20 IKED N#CCCC[C@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 487176785 NYKNAFZQCCMTKU-INIZCTEOSA-N 437.443 5.257 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(CCC2CCCCC2)o1 488845815 ZMTVQQBAZQDQBL-INIZCTEOSA-N 444.626 5.708 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)nnc1-c1cccs1 489447117 JSKBRRZCCDYZGK-HOTGVXAUSA-N 426.611 5.825 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)c3nc(-c4ccc(Cl)cc4)no3)o2)cc1 489809636 MZXRLFPMCWUYPW-ZDUSSCGKSA-N 440.912 5.858 30 20 IKED CCOc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 499659083 XZERKMGDKBTJEP-NRFANRHFSA-N 449.938 5.724 30 20 IKED N#CCC[C@H](NC(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1)c1ccccc1 500101100 VMKVNOWONSZCJS-IBGZPJMESA-N 436.968 5.576 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1nc(-c2cccs2)oc1C 500108131 JGJYZAHQLXVGAH-UHFFFAOYSA-N 449.345 5.370 30 20 IKED N#CC1(c2ccc(C(=O)N3CCCCC[C@@H]3c3noc(-c4ccc(F)cc4)n3)cc2)CC1 501789999 DRNWUYOVSSQPIE-OAQYLSRUSA-N 430.483 5.188 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 501855822 PDQDGBBZFGMJAM-NRFANRHFSA-N 441.579 5.852 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(F)cc2OCC)nnc1-c1ccc(Cl)cc1 502031836 NEGBMDDYEXJSKP-UHFFFAOYSA-N 446.935 5.053 30 20 IKED CC(C)c1ccc([C@H](NC(=O)Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)C(C)C)cc1 502867576 XUEIYTOPWGZHCX-XMMPIXPASA-N 435.955 5.163 30 20 IKED Cn1cnc(-c2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)cc2)n1 502926141 PVWOULSBWGOSGJ-UHFFFAOYSA-N 429.867 5.052 30 20 IKED Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)[C@@H]1CCC[C@H](C)C1 503293609 AJGOIHMGPIZPDO-MFSJNOQSSA-N 449.620 5.623 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)c3ccccc3n2)cc1 505704875 DKXQBUSJSBIPEW-QFIPXVFZSA-N 446.535 6.219 30 20 IKED C=CCN(C(=O)[C@@H]1CCCN1C(C)=O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 506803676 CPZJOZCBVMSYJG-QHCPKHFHSA-N 431.561 5.007 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)n1 506846450 YMVGZWHGPRTIFC-QGZVFWFLSA-N 426.881 5.256 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F 509948227 ZAEXLZVLEZKPGR-GHTZIAJQSA-N 443.469 5.138 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cc1 510949596 KUXXNWYPIBPJCS-UHFFFAOYSA-N 443.494 5.432 30 20 IKED O=C(CC1CCCCC1)NC1CCC(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 511394697 ACFCPXWUESGFSY-UHFFFAOYSA-N 443.591 5.065 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(OCc4ccccc4)nc3)c2)c1 511775579 ZCFVOXHKMYBGFA-UHFFFAOYSA-N 448.482 5.037 30 20 IKED CC(=O)N[C@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccs1 514544421 KLOYIUJSDPGLBS-PZJWPPBQSA-N 437.952 5.263 30 20 IKED CCSc1cccc(Br)c1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 514697275 VRQYYZYXNABQGH-UHFFFAOYSA-N 442.382 5.754 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(Cc1ccccc1)c1ccc(Cl)cc1 515628086 ZXGBPEUPPVRLBY-UHFFFAOYSA-N 443.938 5.037 30 20 IKED COCCC[C@@H](c1ccc(Cl)cc1)c1noc(-c2ccn(-c3cccc(C#N)c3)n2)n1 516513524 XVPALVPVWFOKHS-FQEVSTJZSA-N 433.899 5.006 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cccn3Cc3cccs3)c2)cc1 518062180 SAEOIJQRZVVZPX-UHFFFAOYSA-N 427.529 5.495 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 518169440 OYNMIGFJVBQWIZ-RTBURBONSA-N 446.576 5.795 30 20 IKED CC(C)Oc1cc(Br)ccc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 518507842 TYVVHYGNPVITOG-AWEZNQCLSA-N 427.220 5.140 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)cc1 518579565 XPUSISDAMKONHL-MRXNPFEDSA-N 426.586 5.138 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(Cl)c2c(c1)OCO2 519430615 XEPUEAKONCIQTI-CYBMUJFWSA-N 434.970 5.192 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccccc3NC(=O)C[C@@H]3C=CCC3)cc2)nc1 521076963 PYXZUWQCXISSOZ-GOSISDBHSA-N 438.487 5.293 30 20 IKED CC(=O)c1cccc(O[C@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 521721529 KOORBIUMRQVKOT-MRXNPFEDSA-N 434.879 5.613 30 20 IKED N#Cc1ccc(-n2nccc2NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 522586737 UWEFTZWGJORBFI-UHFFFAOYSA-N 439.862 5.314 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(OCC2CCCCC2)CC1 525173662 BNSBUBDAHHDZNX-UHFFFAOYSA-N 434.605 5.911 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cnc(-c4ccncc4)s3)cc2Cl)c1 525544735 RQQAAPXZGKRDBK-UHFFFAOYSA-N 446.919 5.561 30 20 IKED Cc1cnc(CCN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)s1 533629641 SVMVPYAHNMGLKI-UHFFFAOYSA-N 440.956 5.262 30 20 IKED COCCOc1ccc(F)cc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 534140386 SCNGYXDTCLLUJO-UHFFFAOYSA-N 440.858 5.421 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1CCC[C@@H]1c1ccccn1 535003637 FPACKPXRKKRXBO-OAQYLSRUSA-N 446.576 5.397 30 20 IKED CC(C)C(=O)Nc1cccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 541066149 YTUXGAHNMUTEAH-GOSISDBHSA-N 426.520 5.702 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(S(=O)(=O)C(C)C)c1 545312079 MEJHSZUYYWJGIZ-UHFFFAOYSA-N 434.517 5.093 30 20 IKED N#CCCn1cc(/C=C\c2nc(-c3cnc(Oc4ccccc4)cn3)no2)c2ccccc21 545811286 XEZGHLWERVDGNR-QXMHVHEDSA-N 434.459 5.358 30 20 IKED Cn1c(Cc2cccs2)nc2cc(C(=O)[C@H](C#N)c3nc4ccccc4s3)ccc21 553987196 LHASKHJKQRLKGU-INIZCTEOSA-N 428.542 5.325 30 20 IKED CC(C)(NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1cc(C(F)(F)F)on1 554084946 PUUXRFOCUKWSFY-UHFFFAOYSA-N 433.361 5.162 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(Br)cc1Cl 555774896 LYVRGEFXXBVEFL-UHFFFAOYSA-N 443.753 6.378 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@](C)(C#N)C1CCCCC1 555904260 LUVLXLVPBLVXGL-JOCHJYFZSA-N 429.973 5.555 30 20 IKED Cc1ccc(OCc2ccc(C(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)o2)c(C)c1 557124715 WXLWALIUCZFOKW-UHFFFAOYSA-N 448.494 5.170 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)cc1 558480906 QEJYOOAOVHXZAH-HSZRJFAPSA-N 443.551 5.055 30 20 IKED Cc1c(C(=O)Nc2cccc(NC(=O)CCN3CCCCC3)c2)sc2ccc(C#N)cc12 564221756 PXLMMQQSWVNQDU-UHFFFAOYSA-N 446.576 5.148 30 20 IKED Cc1c(Cl)c(C(F)(F)F)nn1Cc1nc([C@H](F)c2ccc(C(F)(F)F)cc2)no1 564450796 YUHWPKYRRLGQAV-GFCCVEGCSA-N 442.722 5.373 30 20 IKED CC(C)OCc1ccccc1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 564744398 GPLVNWNJWWNZRG-UHFFFAOYSA-N 447.510 5.523 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 568979457 IHLPPBLSCTZYPX-UHFFFAOYSA-N 441.915 5.010 30 20 IKED CCO[C@H](c1noc([C@H]2CCC[C@@H](C(F)(F)F)C2)n1)c1ccc(F)cc1C(F)(F)F 572562220 ARJCHTUEVJBCKO-RWSFTLGLSA-N 440.359 6.190 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3Cc4ccccc4C[C@@H]3c3ccccc3)CC2)c(F)c1 576964997 JDICYGSXALVICM-HHHXNRCGSA-N 439.534 5.240 30 20 IKED CN(C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)[C@H]1CC[C@@H](C(F)(F)F)CC1 580358389 DJFWNGQFZBKRPB-MBNYWOFBSA-N 448.354 5.654 30 20 IKED COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 584812073 LKEPTXWQHSUUDS-QGZVFWFLSA-N 425.960 5.636 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1C 592974238 QBRXOSXSQGRURZ-SFHVURJKSA-N 443.507 5.320 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c12 592974387 RNVRPKZIUPGRDO-MRXNPFEDSA-N 449.555 5.857 30 20 IKED CCN(C(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N)[C@H](C)c1ccc(F)cc1 603905316 OPPOXVONGNUTCG-CYBMUJFWSA-N 425.451 5.121 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Sc2ccccc2Cl)cc1 604453455 RCFLSKQFWMHGSB-UHFFFAOYSA-N 438.984 5.790 30 20 IKED CC(C)(C)c1noc2ncc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)cc12 609063999 OVNYGWCOUMWHQQ-UHFFFAOYSA-N 426.476 5.223 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCCN1CCCC[C@@H]1C 609079290 USRMOCVHNTXUCI-NRFANRHFSA-N 434.584 5.222 30 20 IKED N#CCn1c(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc2ccccc21 609161720 MKSPEDVHGVXORW-UHFFFAOYSA-N 434.952 5.448 30 20 IKED Cc1c(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)oc2ccccc12 609687334 NYBJWNVHNCTEDL-UHFFFAOYSA-N 427.479 5.664 30 20 IKED COC(=O)c1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c(F)cc1F 609722887 MRXBWISEWTYDOB-UHFFFAOYSA-N 442.805 5.321 30 20 IKED COc1cc(C[S@](=O)Cc2ccc(Cl)cc2)ccc1OCc1cccc(C#N)c1 609743041 OSXHQNSHUUFVLC-GDLZYMKVSA-N 425.937 5.248 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccccc3OC[C@@H]3CCCCO3)c2)cc1 609987276 PFHOUGNMTJZPIX-QHCPKHFHSA-N 427.504 5.502 30 20 IKED CSc1nc(O)c(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)cc1C#N 610091203 SZQFKVYCYBUHEX-UHFFFAOYSA-N 445.422 5.444 30 20 IKED Cc1cc(Br)oc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613403132 BSMUEEACQHQOGG-SECBINFHSA-N 429.217 5.469 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ccccc2F)o1)c1nc2cc(C(F)(F)F)ccc2s1 613404725 VGYJIKBQYZMYTA-CYBMUJFWSA-N 430.382 6.204 30 20 IKED CCCc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cnn1Cc1ccccc1 613404918 WNCXNZCYQCBLMA-KRWDZBQOSA-N 433.462 5.119 30 20 IKED CCCc1c(NC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cnn1-c1cccc(C#N)c1 615270533 IKZUOGORIVKWTE-UHFFFAOYSA-N 441.457 5.379 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)cc1 617181248 DCKLXMAKQFYQCX-UHFFFAOYSA-N 442.544 5.023 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccccc2Cl)c1)c1nc2cc(C(F)(F)F)ccc2s1 622650300 XWAVUHVVFMZXPI-ZDUSSCGKSA-N 446.841 5.644 30 20 IKED FC(F)Oc1ccc2ccccc2c1CN[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642197937 GSJXVDZJFJOJPH-WDNDVIMCSA-N 441.362 6.440 30 20 IKED N#C[C@H](C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)c1nc2cc(F)ccc2s1 675514813 SKEMRJZWGOPFHP-CQSZACIVSA-N 430.386 5.130 30 20 IKED CC(C)(C)OCc1cccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 726229638 ILXGAWRXYJOYIO-RUZDIDTESA-N 427.548 5.979 30 20 IKED N#Cc1ccc(NC(=S)NCc2ccc(Cn3cnc4ccccc43)cc2)cc1Cl 726486270 KPBWZZCCPZHCCH-UHFFFAOYSA-N 431.952 5.096 30 20 IKED CCN(C[C@H](C)C#N)Cn1nc(-c2cccc(OC)c2)n(-c2ccc(Cl)cc2)c1=S 726963318 BJDXSPHEFNVONW-MRXNPFEDSA-N 441.988 5.171 30 20 IKED N#C[C@H](C(=O)CCc1cccc(OC2CCCC2)c1)C(=O)Nc1ccc(Cl)cc1Cl 727953311 DSDFGIUEJMQVFL-LJQANCHMSA-N 445.346 5.595 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cc(F)c(F)c(F)c1 727970307 YTXOESAQOKXKOC-UHFFFAOYSA-N 433.842 5.386 30 20 IKED COc1ccc(-c2cc3nc(/C(Cl)=C/c4cccc(OCC#N)c4)[nH]c(=O)c3s2)cc1 730150877 FRXKSQHDUIXGOW-PDGQHHTCSA-N 449.919 5.299 30 20 IKED O=C1/C(=C\c2cnn3ccccc23)CCc2nc(-c3ccccc3Br)sc21 730435523 BSOGGJXWPLKOAX-QBFSEMIESA-N 436.334 5.433 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(SC(F)F)cc1 731065778 FPIPBLJMBQKAHC-CYBMUJFWSA-N 436.505 5.049 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 731331639 MQFPCPAPSIJZGE-UHFFFAOYSA-N 443.503 5.628 30 20 IKED CCc1nc([C@H]2NC(=O)N(Cc3cccs3)C(c3ccc(F)cc3)=C2C(C)=O)cs1 731430365 LCLFATAVYBBBFA-HXUWFJFHSA-N 441.553 5.173 30 20 IKED Cc1ccc(-c2nc(CON=C(Cc3nc4ccccc4n3C)c3ccccc3)cs2)o1 731664197 BLNGXFYHUAYAOA-UHFFFAOYSA-N 442.544 5.762 30 20 IKED Cn1c(CC(=NOCc2ccc(Br)s2)c2ccccc2)nc2ccccc21 731664489 OKKREZYAXITIDN-UHFFFAOYSA-N 440.366 5.561 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)NC2(c3ccc(Cl)cc3)CCCC2)ccc1OC 733650345 YSPZZUCGAYHBGJ-FQEVSTJZSA-N 441.959 5.298 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)c1 733786332 FQCTVUVQWIXUPR-HLAWJBBLSA-N 431.561 5.343 30 20 IKED CN(C)[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1c(F)cccc1F 734643627 DESYXZYVJNTPSS-NFBKMPQASA-N 434.490 5.045 30 20 IKED CC(C)(C)c1ccc(N=C2NC(=O)[C@@H](CC(=O)Nc3ccc4ccccc4c3)S2)cc1 736640821 HFYBBEGXUJKURV-OAQYLSRUSA-N 431.561 5.385 30 20 IKED N#Cc1ccc(-c2cccc(CNCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2)s1 740014565 RTZPRBZZVNYKSX-UHFFFAOYSA-N 432.549 5.475 30 20 IKED Cc1cc(/C=C\C(=O)c2c(F)cccc2N2CCOCC2)cc(C)c1OCc1ccccn1 741446859 APQOQRDYLCEVCB-KTKRTIGZSA-N 446.522 5.149 30 20 IKED COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)N[C@H](C)c1ccc(C#N)cc1 742523176 AUVPBIJLBGTLJP-CYBMUJFWSA-N 429.904 5.058 30 20 IKED N#Cc1cc(NC(=O)Nc2cccc(COC3CCCCC3)c2)ccc1N1CCC(O)CC1 743126784 CTAIAHGDFXBUIE-UHFFFAOYSA-N 448.567 5.013 30 20 IKED CC(C)OCCCNC(=O)[C@H](C#N)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1 744023740 MDVLDESZVGPVKZ-QGZVFWFLSA-N 449.334 5.039 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1NC(=O)OC(C)(C)C 744034958 HAVGFQWWCCUZOK-OAHLLOKOSA-N 441.940 6.095 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3ccccc3SCc3cccs3)o2)c1 744515227 ZNKBOKUJYGIPGF-UHFFFAOYSA-N 433.514 5.319 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1 744766015 JHJHXRWSZKBOAD-VWLOTQADSA-N 444.579 5.035 30 20 IKED CCOc1cc(/C=C/C(=O)c2cc(Cl)sc2Cl)ccc1O[C@@H](C)C(=O)N(C)C 744865833 NCIZVHPWNTWSOY-WMADIVHISA-N 442.364 5.205 30 20 IKED N#CCC[C@@H](NC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1)c1ccccc1 748593407 IOOFVQHAJWXNQY-XMMPIXPASA-N 447.583 5.058 30 20 IKED Cc1ccnc2[nH]c([C@H](C#N)C(=O)CCc3ncc(-c4ccc(Cl)cc4Cl)o3)nc12 750730690 QTJLVABMRPNCCI-CQSZACIVSA-N 440.290 5.037 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccco2)c1 752106754 NKMLFERWSBZGIZ-BJKOFHAPSA-N 444.531 5.239 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](Oc3ccccc3Cl)C2)cc1 752183175 CLSNVYAOCRATNP-VXKWHMMOSA-N 431.923 5.681 30 20 IKED Cn1c(CC(=NOCc2nc(C(F)(F)F)cs2)c2ccccc2)nc2ccccc21 752778351 AWLUVOGZBPXVPM-UHFFFAOYSA-N 430.455 5.212 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4ccc(OC)c(OC)c4)CCC3)n2)cc1 755635428 NEYPNNOHMUXYFJ-IBGZPJMESA-N 448.544 5.134 30 20 IKED Cc1ccc(-c2cncc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2)cc1 757873408 ASFJXQVFISPHCD-FQEVSTJZSA-N 437.471 5.333 30 20 IKED Cc1cc(SC2CCCCC2)ccc1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 761851564 SSPKGGNSXDAWMY-DEOSSOPVSA-N 435.593 5.897 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 762018918 KGQDUJQKLQFMFC-SBUREZEXSA-N 434.495 5.403 30 20 IKED Cc1ccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccc(C(C)(C)C)cc2)cc1F 762445308 NYZYWANGFVJQKB-UHFFFAOYSA-O 446.571 5.914 30 20 IKED COc1ccc(CN[C@@H](C)c2nc(-c3ccc(Br)cc3)cs2)cc1C#N 763532082 DUOKSOMYZSENGM-ZDUSSCGKSA-N 428.355 5.304 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](O)c1ccc(-c2ccccc2)cc1 767764149 UKXCOGFYTLCBRJ-FDDCHVKYSA-N 431.561 5.460 30 20 IKED N#C[C@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)C(=O)Nc1cccc2ccccc12 769946356 SDZQNYOODHXEMI-GEBKJHSDSA-N 442.824 5.786 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(CCOCc4ccccc4)CC3)n2)cc1 770839974 DQPREFKOIXKPLI-NRFANRHFSA-N 432.545 5.382 30 20 IKED Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl 772646127 RJYZGBYSFAJPIK-CQSZACIVSA-N 446.816 5.019 30 20 IKED CCC[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1ccc(Cl)c(Cl)c1 775315992 ILAAFOSDJBWTFJ-LPHOPBHVSA-N 439.346 5.661 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H](CC)c2cc(F)cc(Br)c2)ccc1OC 776164595 JEFAPSUZDYWNHU-OALUTQOASA-N 435.337 5.519 30 20 IKED COc1ccc2ccccc2c1-c1cc(CON=Cc2c(Cl)nc3ccccn23)on1 778032314 LJAOTBICCHTLKR-UHFFFAOYSA-N 432.867 5.355 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 782772678 IRGWZHLEROAXCQ-IXDOHACOSA-N 432.590 5.038 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)n1 796747867 QWZDKFQDNMJMSZ-KRWDZBQOSA-N 425.554 5.444 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)COc2ccc(C3SCCCS3)cc2)s1 797567737 AXYZCNQOFYJOSD-MRXNPFEDSA-N 432.636 5.565 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)s1 797571785 WBRCDNNCZAMSQP-AWEZNQCLSA-N 448.375 6.211 30 20 IKED COc1ccccc1CONC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 799212266 SHDADHAHJVNTHX-UHFFFAOYSA-N 437.883 5.053 30 20 IKED C=CCCCCCCNC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 805219133 YDRPWLYZPQKGJY-UHFFFAOYSA-N 433.346 5.185 30 20 IKED C=CC[C@H](NC(=O)C(=O)N(C)[C@@H](c1ccc(Cl)cc1)C(CC)CC)c1ccncc1 805812682 BDNHKHJCTVUFIY-FCHUYYIVSA-N 427.976 5.104 30 20 IKED Cc1cc(NC(=O)c2c(F)cc(C#N)cc2F)c(C(=O)N[C@@H](C)c2ccccc2)cc1F 813284719 CWNLTTHQDYCTLH-AWEZNQCLSA-N 437.421 5.027 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cn4c(Br)cnc4s3)n2)cc1 815911095 QVQBYSFSWIXVEZ-LBPRGKRZSA-N 443.351 5.080 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(CCc2cccs2)C(=O)N[C@@H]1c1cccc(C#N)c1 840174804 DLXVHHJTPZFWDK-HSZRJFAPSA-N 445.519 5.068 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 906787880 GHWFIYFAQRVPOH-UHFFFAOYSA-N 434.521 5.210 30 20 IKED Cc1ccc(-c2nnc(COC(=O)c3ccccc3SCc3ccc(C#N)cc3)o2)cc1 914882809 XBBUVROIVKRCQD-UHFFFAOYSA-N 441.512 5.566 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1 915351974 FBIPZSCCQNFTLX-UKILVPOCSA-N 441.531 6.454 30 20 IKED C=CCN1C(=O)N[C@H](c2cc(C)ccc2C)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 916166730 PJPFPMRBCKFIKX-OAQYLSRUSA-N 443.469 5.487 30 20 IKED Cc1ccc(C(=O)CCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916907408 YNDWZTMLWAPEHT-NRFANRHFSA-N 426.472 5.098 30 20 IKED N#C[C@@H](C(=O)CCCCc1ccc(Br)cc1)C(=O)Nc1ccccc1Cl 916909477 BVHIFOGABDPTKN-INIZCTEOSA-N 433.733 5.163 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Cl)cc1Cl 916928310 XWZPKQMSOGWIPR-GOSISDBHSA-N 443.330 5.183 30 20 IKED Cc1nc(-c2ccccc2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916928401 ZJXSXIKUYKDKTD-AWEZNQCLSA-N 430.316 5.387 30 20 IKED N#C[C@H](C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)c1nc2ccccc2n1C(F)F 917041801 WWNBGGYTCZJYGJ-OQHXTRMZSA-N 439.771 5.993 30 20 IKED COc1cc(/C=C2\CCOc3ccc(F)cc3C2=O)cc(Br)c1OC(F)F 917143397 JLXBIXYKGIGQTL-IZZDOVSWSA-N 443.215 5.247 30 20 IKED CCOc1ccc(C=NOCc2coc(-c3ccc(Br)cc3)n2)cc1OC 920486348 ZGKIYDKHMBYXDE-UHFFFAOYSA-N 431.286 5.062 30 20 IKED N#Cc1ccsc1NC(=O)COC(=O)c1ccccc1Oc1ccc(Cl)cc1Cl 920910906 XVACDELYVLZHBA-UHFFFAOYSA-N 447.299 5.514 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cccc(N2CCOC2=O)c1 920977939 QWPGSJAFZHAHNN-KRWDZBQOSA-N 442.475 5.190 30 20 IKED CCOc1cccc(Cl)c1CN(Cc1ccc(C#N)cc1)c1ccc2nc(O)[nH]c2c1 1473240774 OFQDTBHCPJJSDC-UHFFFAOYSA-N 432.911 5.399 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CSc3ccncc3)cc2)CCC1 1786768447 JDFWNQIDOOPLSR-QFIPXVFZSA-N 435.593 5.076 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ccc(OC)cc34)cc2)CCC1 1789273852 KILXDJFKCGNJKI-QGZVFWFLSA-N 431.536 5.136 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3c(C)noc3CCC)CCC2)cc1 1789454018 KWLMJLGEEMIDHW-NRFANRHFSA-N 435.568 5.452 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cn(C)nc3C(F)F)CCC2)cc1 1789626214 MOFOTIZBKWHALX-UHFFFAOYSA-N 444.526 5.098 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3cc4cccnc4cc3F)cc2)CCC1 1790477300 NOZKYBSYRYEBKB-GOSISDBHSA-N 445.538 5.263 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC)c(Cl)c3)cc2)CCC1 1792140072 HJAVCTBOCCFTCN-UHFFFAOYSA-N 444.984 5.016 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccnc1 1802502984 OVJXZBKXWGALMN-LADGPHEKSA-N 433.596 5.010 30 20 IKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(F)cc3Cl)C2)CC1 1806551007 NYMLVTYBZLOGMY-UHFFFAOYSA-N 446.994 5.021 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/Sc2ccc(C)cc2)n[nH]1 1819359404 ZUXNDUQBDCVGTL-LBCPOGTJSA-N 438.597 5.228 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccsc3[nH]2)n[nH]1 1821435916 ATFGAAPYZFBEFR-QFBILLFUSA-N 437.569 5.027 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccccc3n2C)CC1 1827994800 JOBQUOIKODCRLI-DEOSSOPVSA-N 449.639 5.404 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cccc(C)n2)CC1 1829064635 GSJJCUAYMKSMQF-BYUVYSIJSA-N 437.628 5.015 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc(Cl)ccc2F)CC1 1829066251 YFZXOJJTTXDENV-LJQANCHMSA-N 449.998 5.100 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cccc(C)c2C)cc1 10167888 YBIPCXDYGCCBKZ-UHFFFAOYSA-O 439.551 5.873 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2ccccc2CC)cc1 11250198 IHSQRZRVHWEYRE-UHFFFAOYSA-O 425.524 5.428 30 20 IKED O=C(/C(=C(\S)Nc1cccc(Br)c1)[n+]1ccccc1)c1cccc(Cl)c1 15247645 HAQZKMOCNOUDFW-UHFFFAOYSA-O 446.777 5.441 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)=C(/S)Nc1cccc(C)c1C 22729446 DKXYWPVOQUOWIH-UHFFFAOYSA-O 448.568 5.421 30 20 IKED CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)nnc1-c1cccc(Cl)c1 23540621 MBLGJBNFJDPBRG-MRXNPFEDSA-N 439.972 5.046 30 20 IKED C=CCn1c(C)nnc1SCC(=O)Nc1nc(-c2ccc([C@H](C)CC)cc2)cs1 28087374 MHUZJOXZKILPDP-CQSZACIVSA-N 427.599 5.140 30 20 IKED CCC[C@@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)c1ccc(Cl)c(Cl)c1 60709211 SFYKSABDKXAUML-HXUWFJFHSA-N 448.350 5.272 30 20 IKED C=CCn1c(SCCCc2nc(-c3ccc(C)c(F)c3)no2)nnc1-c1ccccc1 105625739 UZLYSFCTMRJQKG-UHFFFAOYSA-N 435.528 5.354 30 20 IKED CN(C)C(=O)Sc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 111065829 LAZIBMHJJKSAIR-UHFFFAOYSA-N 431.517 5.163 30 20 IKED C=CCn1c(Sc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccoc1C 302921385 MJIWRWNDKDLMRY-UHFFFAOYSA-N 444.822 5.764 30 20 IKED C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 303538614 SUYPSRXTULTOBS-AWEZNQCLSA-N 437.858 5.009 30 20 IKED C[C@H](Oc1ccc(F)cc1Br)C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 303594012 PHKKZZACGJWGQX-XPTSAGLGSA-N 446.103 5.043 30 20 IKED N#Cc1cc(NC(=O)c2ccc(CSc3nc[nH]n3)cc2)ccc1Oc1ccccc1 428342587 BFURAODLZBYTOR-UHFFFAOYSA-N 427.489 5.013 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCCC[C@@H]1c1ccc(F)cc1F 432018047 FKOWNSLKNKGIAA-HRAATJIYSA-N 429.536 5.382 30 20 IKED N#CCCC[C@@H](c1ccccc1)N1C(=O)[C@H](c2ccc(Cl)cc2Cl)N(C2CC2)C1=O 432029078 AKGVKKVPUNTJLL-SFTDATJTSA-N 442.346 5.896 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@@H](C)C[C@H]2c2cccc(F)c2)cc1 438181145 DLCYLVGANHMBRG-SBUREZEXSA-N 445.494 6.113 30 20 IKED COc1cccc([C@@H](NCc2ccc(C#N)cc2OC(F)F)c2cc(F)ccc2OC)c1 439558821 YAIPCRYNBLARLV-HSZRJFAPSA-N 442.437 5.195 30 20 IKED N#Cc1cccc(OC2CCN(Cc3ncc(-c4ccc(Br)cc4)o3)CC2)c1 441509441 LUFWFLYXQRMRJK-UHFFFAOYSA-N 438.325 5.019 30 20 IKED N#C[C@H](C(=O)c1ncoc1-c1ccccc1Cl)c1nc(-c2c(F)cccc2F)cs1 442811532 PDAWJONSKCBVOZ-GFCCVEGCSA-N 441.846 5.887 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1Cl 448379094 XYALPYMFNQCVRE-CYSDGLOUSA-N 448.998 5.476 30 20 IKED CCCNc1ccc(C#N)cc1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 461696536 CFBHWMYAGFFOAO-INIZCTEOSA-N 444.495 5.109 30 20 IKED N#Cc1ccc(-c2nnc(N3CCCC[C@@H]3c3ccccc3)n2C[C@@H]2CCCCO2)cc1 461843504 QRLDBUAPBYKSIE-BJKOFHAPSA-N 427.552 5.117 30 20 IKED C[C@@H](c1cccc(C#N)c1)c1nc(Cc2nc(O)c3c(-c4ccccc4)csc3n2)no1 462829682 KHZIMHYTBZTSMJ-AWEZNQCLSA-N 439.500 5.061 30 20 IKED CC(C)c1nn(C)c2sc(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)cc12 463547108 SQGDXBSYQOQVNO-NRFANRHFSA-N 444.560 5.332 30 20 IKED CSc1cccc([C@H](NC(=O)[C@@H](C)Oc2ccccc2C#N)c2ccc(F)c(F)c2)c1 464114144 KEZHKCCOVGKENZ-CMJOXMDJSA-N 438.499 5.231 30 20 IKED COc1ccc([C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)c2ccccc2Cl)c(OC)c1 466375210 RCLRVNYBBMCWAF-DEOSSOPVSA-N 449.938 5.160 30 20 IKED CCN(C(=O)c1ccc(NC(=O)c2ccc(OC)cc2)s1)[C@H](C)c1ccc(C#N)cc1 466412315 OHZUBOVVOPSEIJ-MRXNPFEDSA-N 433.533 5.104 30 20 IKED C[C@@H](C#N)CSc1ccccc1NCc1ncc(-c2ccc(Br)cc2)o1 467262750 IDVZIUUKMHZTJZ-AWEZNQCLSA-N 428.355 5.968 30 20 IKED C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(OCc2ccccc2)c1 469057031 QXOHFEMBZBNBQO-NRFANRHFSA-N 439.559 6.022 30 20 IKED CC(C)(C)c1nnc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cn12 469688040 QYDMOSQWRSANEA-INIZCTEOSA-N 435.940 5.294 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 471130215 UAGCDIQLLHSBAJ-UHFFFAOYSA-N 429.520 5.558 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1noc(-c2ccccc2)n1 473805775 KSAZIIBBAYMEOI-OAHLLOKOSA-N 443.438 5.422 30 20 IKED C[C@@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1ccc(NC(=O)Nc2ccccc2)cc1 474915759 YXYOPXGTLUZXCA-KNQAVFIVSA-N 426.520 5.595 30 20 IKED Cc1c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)csc1Br 475620830 FUQXTJUEHMVWJJ-UHFFFAOYSA-N 440.322 5.195 30 20 IKED COc1ccc(-c2csc(CNC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c2)cc1 475929681 AWJCZRJVNOWZGG-UHFFFAOYSA-N 447.560 5.048 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)CNc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC 476386502 FPJNZUJYLHTWHZ-GOSISDBHSA-N 445.519 5.047 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 480551189 ILKQVMKPJHDWCV-HOTGVXAUSA-N 448.514 5.358 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCO[C@H](c4cccc(F)c4)C3)cc2F)c1 481681860 CYNGPIWALFWJSS-DEOSSOPVSA-N 449.457 5.021 30 20 IKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc2ncsc2c1 486552026 YOCWWJHQSSNXOE-QGZVFWFLSA-N 442.544 5.824 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc4c(s3)-c3ccccc3OC4)s2)cc1 487388872 RRMMRNCZBZAARF-UHFFFAOYSA-N 429.526 5.479 30 20 IKED C=C[C@H]1CCCCN1C(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1 488366545 LQUOHNAEKGSERU-INIZCTEOSA-N 431.895 5.312 30 20 IKED CC(C)n1ncc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1-c1ccccc1 488396289 JFMOSPGQUFXMPO-UHFFFAOYSA-N 427.533 5.302 30 20 IKED C=CCn1c(SCC(=O)c2ccc(NC(=O)CCC)cc2)nnc1-c1ccccc1C 488902617 RRVPMCNGZICMGX-UHFFFAOYSA-N 434.565 5.153 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C(=O)N3CCCCC3)c3ccccc3)o2)cc1 489801403 ACCLGWUCHYKTPN-NRFANRHFSA-N 435.549 5.147 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3cccc4ccccc34)o2)cc1 489815771 YVIDXUYIRRUQBH-QGZVFWFLSA-N 445.544 5.424 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H]1CCO[C@@H]1c1ccccc1 489837429 DLWDFSOJNAOOFM-JYFHCDHNSA-N 441.531 5.345 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CCC(=O)c2ccc(F)cc2F)cc1 490630304 OFQKEUFCUUFWNJ-UHFFFAOYSA-N 434.442 5.211 30 20 IKED COc1cc([C@H](C#N)NC(=O)c2ccc(-c3ccc(C)c(C)c3)cc2F)cc(OC)c1OC 500366237 UATABCYLXMSFRM-QFIPXVFZSA-N 448.494 5.130 30 20 IKED N#CCSc1cccc(C(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)c1 502074761 ALDCYBHGBUJYQD-UHFFFAOYSA-N 446.919 5.943 30 20 IKED CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)cc1 502818352 PSOKDRSWKUDMBD-QFIPXVFZSA-N 447.966 5.188 30 20 IKED N#C[C@H](C(=O)Nc1nc2c(s1)CCCC2)c1nc(-c2ccc(Cl)cc2Cl)cs1 505456289 YBSBFWHJESLYEY-GFCCVEGCSA-N 449.388 5.698 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(C(F)(F)F)CC1 508878794 BMPJXEMNVMKHKB-UHFFFAOYSA-N 435.277 5.129 30 20 IKED CCN(CC)C(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1 511787203 PTWFHNYHFOMKRK-UHFFFAOYSA-N 429.545 5.120 30 20 IKED Cc1cccc(-n2ncc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)c2C(F)(F)F)c1 513160358 MHHCFXFABOFRGS-CQSZACIVSA-N 438.331 5.103 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(F)ccc2C)nnc1-c1ccc(Cl)cc1 514358617 UGSBWFMQSNTWSA-AWEZNQCLSA-N 430.936 5.351 30 20 IKED Cc1nc(NC(=O)C2(c3ccc(Br)cc3)CCCC2)sc1SCC#N 514578409 ROUATKVLHPHUHX-UHFFFAOYSA-N 436.400 5.280 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(-c3nc4ccccc4s3)s2)n1 517923494 KOXOZVOTWSRNQY-NSHDSACASA-N 439.543 5.148 30 20 IKED C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2[N+](=O)[O-])C1 519515730 UAFYTZKGKJAXLJ-IAGOWNOFSA-N 438.553 5.478 30 20 IKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 520325257 FRZHULRZPVUJLY-HNNXBMFYSA-N 425.410 5.598 30 20 IKED COc1ccc(CCC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1Br 520889715 PUEMBEBTLFUWFU-OAHLLOKOSA-N 442.140 5.078 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(CN2CCC[C@@H](C)C2)cc1 521261248 OOMOKAHUVNXQKI-UXHICEINSA-N 436.625 5.492 30 20 IKED Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CC(=O)c2cn(CCC#N)c3ccccc23)n1 521437217 MLXBJPAORUNWIY-UHFFFAOYSA-N 438.318 5.312 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)N(CCC#N)c3ccc(OCC)cc3)c12 521751766 HBMYQCMDEJUVQR-UHFFFAOYSA-N 444.491 5.394 30 20 IKED Cc1nc(C)c(-c2csc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)n2)s1 522304672 WFHYMIGLFNETPX-UHFFFAOYSA-N 446.557 5.586 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(c4ccccc4F)CC3)cc2F)c1 523020765 ATDFZNKJGOGBJV-UHFFFAOYSA-N 447.485 5.827 30 20 IKED CCCNC(=O)c1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1Cl 523160369 BWYQKFWUJIBZPL-UHFFFAOYSA-N 432.911 5.347 30 20 IKED CCOC(=O)Cc1cccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 523424010 WOUHWVJYYBBECD-UHFFFAOYSA-N 443.503 5.195 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C 523643396 SSWMLHMNKLREQJ-VWLOTQADSA-N 440.547 5.069 30 20 IKED O=C(Nc1ccc(F)cc1Cl)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 524103787 CHVMRYQABABHFD-UHFFFAOYSA-N 445.718 5.614 30 20 IKED Cc1ccccc1C1(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CCOCC1 524146082 FHITXJWSLCMYQO-UHFFFAOYSA-N 444.506 5.272 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc(O)nc4cc(F)ccc34)cc2Cl)cc1 524256470 CXPVYMDFSMIDFT-UHFFFAOYSA-N 433.826 5.649 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(F)cc2OCC(F)F)c1 539097980 XIVNZYVSJKVOJW-UHFFFAOYSA-N 426.394 5.173 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1ccc(-c2cccnc2)cc1 540433237 QSNIROAVUOUFDV-RBUKOAKNSA-N 430.577 5.432 30 20 IKED COc1ccnc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c1 541327595 LSTIYJMTASTGRP-AWEZNQCLSA-N 432.286 5.521 30 20 IKED CC(C)CN(C(=O)c1ccc(Cl)c(C#N)c1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 541596515 BLACGSMIKMWKHA-UHFFFAOYSA-N 440.912 5.546 30 20 IKED C[C@@H](NCc1ccccc1C(C)(C)C#N)c1nc(-c2ccc(Br)cc2)no1 541686087 VMNAMAZWAHFXBX-CQSZACIVSA-N 425.330 5.151 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)[C@@H](Sc1ccccc1F)c1ccccc1 542289123 SDUCFJWNNCJMNX-QHCPKHFHSA-N 436.508 5.195 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F 542422648 WAGMPIHXAMPDBP-FQEVSTJZSA-N 447.457 5.361 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 542536073 MPZUFZMYMRMOEQ-INIZCTEOSA-N 433.439 5.235 30 20 IKED COc1ccc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cc1OC1CCCC1 544084345 BAJQEZVEXORAPL-UHFFFAOYSA-N 432.442 5.093 30 20 IKED C=CCC[C@H](NCc1nc(O)c2c3c(sc2n1)CCC3)c1ccc(C(F)(F)F)cc1 553385967 KBKHYYXXGKPNAI-INIZCTEOSA-N 433.499 5.702 30 20 IKED Cc1ccc(C(=O)c2c(NC(=O)c3cc(C#N)ccc3Cl)sc3c2CCOC3)cc1 554737580 OSKVHCBFWVIOKP-UHFFFAOYSA-N 436.920 5.138 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NC[C@H](NCc3ccccc3)c3ccco3)c2)cc1 557462080 SMQAAJJPATYCTI-VWLOTQADSA-N 437.499 5.204 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 557514181 JZMLSWCSFJMGNT-QGZVFWFLSA-N 447.516 5.531 30 20 IKED CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1 561415960 ZJWPCBHIGFOPNK-SANMLTNESA-N 439.515 5.252 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1)[C@@H]1C[C@@H]1C 561654461 MUZLTZFIFJFVJP-SSOJOUAXSA-N 425.488 5.364 30 20 IKED C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 562019604 LSKWZFJHCSXCST-LJQANCHMSA-N 429.490 5.095 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cncc(Cl)c2Br)c1 577440380 MWIOIQGMPBMQCG-UHFFFAOYSA-N 442.700 5.200 30 20 IKED C=CCn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1C[C@H](c2ccccc2Cl)OC[C@H]1C 580677378 DOXOLHNWMFBHOF-PLWAMTLXSA-N 445.007 5.003 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccccc4C)n3)n2)cc1 589829955 AMSGOUFPBAYYMY-SFHVURJKSA-N 431.542 5.741 30 20 IKED Cc1c(C(=O)Nc2sc3c(c2C#N)CCCC3)cnn1-c1ccc(Br)cc1 603440536 WCMCHWRBOLBERG-UHFFFAOYSA-N 441.354 5.008 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(NC(=O)c2cccs2)cc1 603967772 ASHLBQODRBQLJW-UHFFFAOYSA-N 429.526 5.853 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)COCc3nc4ccccc4s3)cc2Cl)cc1 604027110 GDDYKDVFPRCTOC-UHFFFAOYSA-N 449.919 5.769 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccn(-c2cccc(Cl)c2)n1 604113379 KKUWUWDLHKJZEY-UHFFFAOYSA-N 429.867 5.145 30 20 IKED CCc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cnn1-c1ccccn1 604193291 BSZIOAXXQOSBTI-UHFFFAOYSA-N 443.894 5.399 30 20 IKED Cc1cccc(C(=O)N[C@@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 604193328 GXGAALBQLOYBHN-INIZCTEOSA-N 433.895 5.069 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cnc(-c4ccccc4Cl)s3)cn2)cc1 604517551 SHQGLACLOCLSCQ-UHFFFAOYSA-N 432.892 5.775 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(-c2nc3cc(F)ccc3n2C)cc1C 606590369 WVTDBVFLQGOTFQ-UHFFFAOYSA-N 434.540 5.969 30 20 IKED CC1CCN(Cc2ccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cc2)CC1 609070888 OYPAADIPRROTAU-UHFFFAOYSA-N 429.520 5.214 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSC(c1ccccc1)c1ccccc1 609369731 IXOAJGIYALMACY-LJQANCHMSA-N 432.614 6.542 30 20 IKED CC[C@H](c1ccccc1)c1nnc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)s1 609506018 IMZIXQBTKKQSHB-HXUWFJFHSA-N 441.516 5.391 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)c1 609725262 RZGGMCKGZBSDLN-CPJSRVTESA-N 446.934 5.902 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)cc2)nn1 610184323 RJOZVGJJFASHCZ-UHFFFAOYSA-N 436.471 5.688 30 20 IKED CCc1cc(CNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)on1 610331702 FNSJJWRWISRADV-UHFFFAOYSA-N 430.386 5.241 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(OCc3ccccc3F)CC2)cc1 611262099 XETZZRRRAUQELJ-UHFFFAOYSA-N 444.506 5.620 30 20 IKED C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612804181 DAGPYIQPNOLLLS-FTYKPCCVSA-N 432.355 5.577 30 20 IKED COc1ccccc1CN(Cc1cccs1)C(=O)c1cc(-c2cccc(C#N)c2)no1 619105275 MUMLUGKIWVWNCQ-UHFFFAOYSA-N 429.501 5.126 30 20 IKED C[C@H](Oc1ccc2ccccc2c1)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccs1 619853991 PYXDMGGNOKYGQV-XDHUDOTRSA-N 447.539 5.123 30 20 IKED C=CCn1c(S[C@H](C(=O)NC2CCCCCC2)C(C)C)nnc1-c1ccccc1OC 639429320 JSIUXIKVBZSVGA-NRFANRHFSA-N 442.629 5.095 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccccc1SCc1cccs1 640543905 PHENVHXTRKMZGU-UHFFFAOYSA-N 426.566 6.088 30 20 IKED C[C@H](C(=O)N[C@@H](C#N)c1ccccc1Br)c1cccc(C(=O)c2ccccc2)c1 677766820 HEZVKKICYODRCQ-AOMKIAJQSA-N 447.332 5.165 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2Cc3ccccc3-c3ccccc3C2)c1=S 726183038 FFVJEFJGJWXEMV-UHFFFAOYSA-N 425.561 5.302 30 20 IKED N#C[C@H](C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1nc(-c2c(F)cccc2F)cs1 728769248 ROVIZJSQTBWYMH-ZIAGYGMSSA-N 436.405 6.001 30 20 IKED CCOc1cc(C=Nn2c(S)nnc2-c2ccc(F)cc2)ccc1OCc1ccccc1 730548934 HMPPLZIMJBGKIP-UHFFFAOYSA-N 448.523 5.233 30 20 IKED C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCc2ccc(OCC#N)cc2)nnc1-c1ccco1 731156374 QXJWQFYLPHIMJK-WBKMXMRLSA-N 434.565 5.730 30 20 IKED C=CCOc1ccccc1CN(C(=O)/C=C/c1cnc(C)s1)c1ccc2c(c1)OCCO2 732729494 NLFLOTJLVQJDTN-PKNBQFBNSA-N 448.544 5.034 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2occc2CSc2ccccc2)ccc1OC 733227939 FQXQXWOIVQMPCJ-LJQANCHMSA-N 436.533 5.191 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)C2(c3cccc(Cl)c3)CCCC2)ccc1OC 733228762 PJPLQAXHNJZQDG-HXUWFJFHSA-N 426.944 5.158 30 20 IKED C#CCN(C(=O)Nc1ccccc1OC(C)C)[C@@H]1CCOc2ccc(Br)cc21 733621147 GXYUPZNPOJJYSY-LJQANCHMSA-N 443.341 5.227 30 20 IKED CCCN(Cc1ccccc1Br)C(=O)NCc1cccc(O[C@H](C#N)CC)c1 733805004 MOSWKPUUIPNZLS-IBGZPJMESA-N 444.373 5.252 30 20 IKED CC(C)[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1Cl 734695984 LYJJCILBNFLFJA-UPVQGACJSA-N 445.950 5.447 30 20 IKED C[C@@H](OC(=O)/C=C\c1ccnc2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCCC2 735554301 KQKVIOIVPMFDAV-YUQCYMQKSA-N 445.544 5.020 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)ccc2C)[n+]2cc(O)cc(Cl)c2)c1 738008512 SCCPVOLZERKZOV-UHFFFAOYSA-O 435.956 5.255 30 20 IKED N#Cc1ccc(-c2cccc(CNc3ccc4nnc(-c5ccccc5F)n4n3)c2)s1 739889660 CRJGMVGCBLZGFC-UHFFFAOYSA-N 426.480 5.143 30 20 IKED CCOc1c(Br)cc(/C=C/C(=O)c2c(Cl)nc3sccn23)cc1OC 741847694 KPMCFGZAPPWLPG-SNAWJCMRSA-N 441.734 5.115 30 20 IKED CC(C)CC(=O)Nc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1F 741904310 WUCMYOMBBVYBHS-JOCHJYFZSA-N 429.495 5.718 30 20 IKED CC(=O)Nc1ccc(C(C)=NOCc2ncc(-c3ccccc3Br)o2)cc1 742353667 PSTNWIBJMKKLOK-UHFFFAOYSA-N 428.286 5.003 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(OCc3ccccc3)ccn2)cc1 742564600 WUNKDEDDWYMFHK-UHFFFAOYSA-N 449.510 5.558 30 20 IKED N#C[C@@H](C(=O)NCc1ccccc1)C(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 745947598 GJRRARXXKZHDNM-LJQANCHMSA-N 439.298 5.425 30 20 IKED O=C(/C=C\c1ccc(OCc2occc2C(=O)O)cc1)c1ccc(-c2ccncc2)cc1 745990658 WEKPFNNJDOBUPQ-KMKOMSMNSA-N 425.440 5.515 30 20 IKED O=C(O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)C1CCN(CC(F)(F)F)CC1 747784151 LZOWXNBSCCXLGH-CYBMUJFWSA-N 437.302 5.126 30 20 IKED C=CC[C@@H](NC(=O)C(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1)c1ccncc1 749724888 JBSSPOICRDZWJE-HXUWFJFHSA-N 437.952 5.258 30 20 IKED COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)Nc2ccccc2O[C@H](C)C#N)c1 752807037 RMOCCPQMGHHPSS-GVCORALISA-N 441.531 5.749 30 20 IKED CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 758411476 ZJSUMCHPKJVBRE-WMZHIEFXSA-N 433.552 5.318 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3c(C(F)(F)F)ccnc3Cl)c2)c1 758795029 RPHNRUTYMVJOAY-UHFFFAOYSA-N 431.801 5.457 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1NC(=O)c1cccs1 759184951 WACDMHVNXZSUNC-GOSISDBHSA-N 441.512 5.304 30 20 IKED C=C(Cl)COc1ccc([C@@H](C)NC2CCN(C(=O)CCc3ccccc3)CC2)cc1 765382352 UKZVDQAMLJFMBP-HXUWFJFHSA-N 426.988 5.092 30 20 IKED Cc1ccc(C(=O)CCCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 766273949 FMEOGXIBCAGHAF-INIZCTEOSA-N 430.451 5.853 30 20 IKED CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)co1 780356275 SMEHKVUBIIRUSD-UHFFFAOYSA-N 447.491 5.007 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cc(Br)ccc3F)n2)cc1 784497060 BPLWHFFDCCRTHH-MRXNPFEDSA-N 445.313 5.139 30 20 IKED Cc1cc2nc(-c3ccccc3)cc(C(=O)N3CCC(C#N)(c4ccccn4)CC3)c2cc1C 800117103 POVCKTPVSZINIH-UHFFFAOYSA-N 446.554 5.611 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)c1 801018921 YNAPJVJVHOGTAP-SIKLNZKXSA-N 449.448 5.167 30 20 IKED N#C[C@@H](C(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1)c1cc(C(F)(F)F)ccn1 813210885 APNZPRFFOSWRID-IERDGZPVSA-N 448.416 6.088 30 20 IKED CC(=Nn1c(S)nnc1-c1ccccc1Cl)c1sc2nc(C)nc(C)c2c1C 863965614 NJBCQNBBQMXOAF-UHFFFAOYSA-N 428.974 5.089 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)cc1OC 914735844 WYJFIXGNIIFKID-POHAHGRESA-N 443.425 5.116 30 20 IKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(CCC(C)C)C1=O 916212206 LDFAFFAXVKOYAC-NRFANRHFSA-N 439.581 5.010 30 20 IKED CC(C)(C)OC(=O)N(CCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C1CC1 916632299 FPXZOKHISMXSBL-HSZRJFAPSA-N 448.567 5.253 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCCCc1nc2ccccc2s1 916903908 UILPTLBGBCJCSD-LJQANCHMSA-N 433.577 5.481 30 20 IKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C 916931661 VKDPHYVCYBGXEH-GOSISDBHSA-N 436.552 5.017 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2coc3ccc4ccccc4c23)cc1Cl 916941254 QZRKKYDOQXOZMY-GOSISDBHSA-N 432.863 5.138 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CC(=O)N(c4c(C)cc(C)cc4C)C3)n2)cc1 916974205 GQFYMPLRRRQGBF-SFTDATJTSA-N 443.572 5.273 30 20 IKED N#C[C@H](C(=O)CN1CCC[C@H]1c1cccc(Br)c1)c1nc2ccccc2s1 917163099 BVRHWHYTPXJPDK-AEFFLSMTSA-N 440.366 5.072 30 20 IKED C[C@@H](OC(=O)c1cc(F)c(F)c(F)c1F)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 919217613 QCKMKMPTABWCFF-ZCFIWIBFSA-N 443.702 5.099 30 20 IKED COc1ccc(C(=O)CCCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920805380 CUYYGLBJNBKCMA-MRXNPFEDSA-N 440.471 5.326 30 20 IKED C=CC(=O)NCc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 921151655 YZPQLHLUOZWPSR-JOCHJYFZSA-N 429.907 5.050 30 20 IKED CSc1nc(O)c(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1C#N 1350249297 YWGBIMTYJQFKDQ-UHFFFAOYSA-N 432.530 5.218 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc4nccn4c3)cc2)CCC1 1789081847 OMWOWPZBBKDZHL-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)COc3cccc(Cl)c3)CCC2)cc1 1791244413 RNIYJXUBMGFORR-QGZVFWFLSA-N 426.944 5.065 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3scnc3C(F)(F)F)CCC2)cc1 1791247452 XDOOZIOUXGRPAK-ZDUSSCGKSA-N 437.487 5.122 30 20 IKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](S)C(C)C)CCC3)cc2)cc1Cl 1792140301 WNHWIMJWNCWUCV-HXUWFJFHSA-N 447.000 5.051 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c2cc(Cl)ccc12 1797442240 FZDRKTRCXYFHRF-BCDXTJNWSA-N 427.976 5.066 30 20 IKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C3CC3)cc2)[C@H]1c1cccnc1 1803090679 IGTXDXUDDIXRNR-UIOOFZCWSA-N 443.591 5.047 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c(-c3ccc(C)cc3)c2)n[nH]1 1816101570 LYXWTUABHZIMTD-FDDCHVKYSA-N 445.567 5.231 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)c(F)c2)n[nH]1 1821038645 JFYPSGSYSRMGIG-FQEVSTJZSA-N 444.938 5.277 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cnc2Cl)CC1 1826191729 GAQLEFLTRBRWBU-NRFANRHFSA-N 446.035 5.269 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cnc2Cl)CC1 1828823858 YDIMPHBOCRGIKW-RBBKRZOGSA-N 444.019 5.045 30 20 IKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(Cl)c3)CC2)c1 1829973205 XPHGDHQCAGITLL-DEOSSOPVSA-N 449.982 5.067 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1ccccc1Oc1ccccc1)C2 1844356871 ZYNGOQQOIKUAFJ-UHFFFAOYSA-N 432.564 5.288 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(C)C)nnc1-c1ccc(OC)cc1 16864989 YMVOOUFRVZHGTO-QGZVFWFLSA-N 436.581 5.382 30 20 IKED C=CCN(C(=O)Cc1csc(COc2ccc(C)cc2)n1)c1nc2c(s1)CCCC2 18185755 NGMCZOKERGPQBP-UHFFFAOYSA-N 439.606 5.128 30 20 IKED C=CCn1c(S[C@H](C)C(=O)NC(C)(C)CC)nc2scc(-c3cccs3)c2c1=O 21953653 YFKMYPAJHXBHGQ-CYBMUJFWSA-N 447.651 5.158 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccoc1C 23519176 JQPSVXPSSMLMDE-LBPRGKRZSA-N 437.352 5.459 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)CC)nc2sc(-c3ccccc3)c(C)c2c1=O 26640010 DVCKVTDHFUXOQH-GOEBONIOSA-N 441.622 5.015 30 20 IKED C[C@@H](NC(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)no1)c1ccc(C#N)cc1 63789572 ZDTCCMLAANXKQW-GOSISDBHSA-N 434.515 5.468 30 20 IKED CCOc1cc2c(cc1NC(=O)c1cccc(OCc3ccccc3C#N)c1)O[C@@H](C)C2 72020869 LBBHUAVHHRLHEW-KRWDZBQOSA-N 428.488 5.112 30 20 IKED COc1ccccc1-c1nc(C2CCN(c3ccc(C(F)(F)F)cc3C#N)CC2)no1 302722709 MZKUGDPNHMSHSI-UHFFFAOYSA-N 428.414 5.020 30 20 IKED CCN(CC)c1nc2sc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2s1 303297445 NXOUWHSKKPHQJM-CYBMUJFWSA-N 430.624 5.708 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 303887744 ROAUDBAWILKDIV-MRXNPFEDSA-N 439.437 5.890 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C[C@@H]1CCCO1)C1CCCC1 429059483 JRCLVFBDUFLBRU-DEOSSOPVSA-N 433.552 5.401 30 20 IKED C[C@@H](CC#N)Sc1ccccc1N[C@H]1CCN(c2cccc(Br)c2)C1=O 432331560 OBXQLHUCWWOJKK-KSSFIOAISA-N 430.371 5.061 30 20 IKED C=CCC[C@@H](NC(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C)c1ccccc1 435282293 YWYBWCZLIFSKFK-OAQYLSRUSA-N 442.485 5.269 30 20 IKED CN(C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1cc(Cl)ccc1C#N 436003209 RPYJPAKVBQACEI-UHFFFAOYSA-N 431.801 5.694 30 20 IKED Cc1nc(Cc2ccccc2)sc1[C@@H](C)NC1CCC(Oc2ncccc2C#N)CC1 437083395 HJSZPXOKRVTMOB-PPNDLDFTSA-N 432.593 5.350 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 437828103 IOFXUCMBLYEIPZ-RPWUZVMVSA-N 430.552 5.053 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccccc1CN1CCc2ccccc21 437894490 GTNSZTXXWXZVSQ-IGKIAQTJSA-N 436.559 5.553 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c1 438605396 PAKDLVXOZLJXGX-UHFFFAOYSA-N 441.531 5.139 30 20 IKED COc1cc([C@@H](C)NC(=O)N[C@H](CCC#N)c2ccccc2)ccc1OCc1ccccc1 438853413 PBQDAQKYIWYYCY-HYBUGGRVSA-N 443.547 5.679 30 20 IKED N#CCC[C@@H](NC(=O)Cc1csc(-c2cc(Br)cs2)n1)c1ccccc1 439678825 RCZRHPNIGLGXFW-MRXNPFEDSA-N 446.395 5.338 30 20 IKED N#C[C@@H](C(=O)c1cn(-c2cccc(Cl)c2)nn1)c1nc(-c2ccc(Cl)cc2)cs1 444458745 QFXDUALSDMPBDE-INIZCTEOSA-N 440.315 5.188 30 20 IKED COc1ccc([C@H](NC(=O)c2c(F)cc(C#N)cc2F)c2ccccc2Cl)c(OC)c1 446029547 SRQWRHAAKBOJRC-JOCHJYFZSA-N 442.849 5.026 30 20 IKED CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@](C)(C#N)CCc2ccccc2)c1 461096760 VNGMPSKDPNGXOS-DEOSSOPVSA-N 425.960 5.360 30 20 IKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)CS[C@H](C)CO)c3C#N)C(C)(C)C2)o1 463221608 IAJQRLYPQWVBLH-PMGBHYCQSA-N 442.606 5.352 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N[C@H](c2ccccc2Cl)c2ccccc2OC)cc1 466083608 XXHIJMVMIUCZNR-HSZRJFAPSA-N 449.938 5.176 30 20 IKED N#Cc1cc(NCc2cccc3cc[nH]c23)cc(NCc2cccc3cc[nH]c23)c1[N+](=O)[O-] 466384991 YEFZHWNFMHGTFG-UHFFFAOYSA-N 436.475 5.653 30 20 IKED N#CCCCOc1cccnc1NC(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 466606098 FYQKKNNQFLEEPK-SFHVURJKSA-N 432.446 5.542 30 20 IKED CC#CCCCC(=O)N(Cc1ccc(Br)cc1)c1ccc(NC(C)=O)cc1 466867354 KZDIZDGPCCWDCK-UHFFFAOYSA-N 427.342 5.134 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 467320450 ZHWGGDZLXMMCNM-UHFFFAOYSA-N 433.467 5.369 30 20 IKED Cn1cc(-c2ncccc2NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cn1 468267889 KLWJWLLFVRCYRR-UHFFFAOYSA-N 429.867 5.052 30 20 IKED COc1cccc2c1CC[C@@H]2NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 470582941 LRUNNBVRRKXGKF-DEOSSOPVSA-N 427.504 5.263 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3nnc(-c4ccc(Cl)cc4)n3C)o2)cc1 472192141 QEGBHQLKPACBDT-UHFFFAOYSA-N 439.928 5.043 30 20 IKED O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1c([N+](=O)[O-])cccc1C(F)(F)F 477617749 NGMNYSZYIWORMT-UHFFFAOYSA-N 444.234 5.486 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1 480402757 JONMBZJCNSRHGI-HNNXBMFYSA-N 427.464 5.118 30 20 IKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 481315891 JSNUQVLFMCJBMW-CQSZACIVSA-N 428.376 5.478 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 482276483 ZXGZNSXUHWQXIQ-UHFFFAOYSA-N 430.529 5.194 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@H](CCC)c2ccc(F)cc2F)nnc1-c1ccco1 482813509 UQQQXFPILXGFOV-GOSISDBHSA-N 446.523 5.142 30 20 IKED COc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cccc1[N+](=O)[O-] 483483994 ICMIPOYTVHMMAZ-CYBMUJFWSA-N 448.287 5.524 30 20 IKED Cc1ccccc1NC(=O)Cc1nc(CN(Cc2ccc(C#N)cc2)CC(C)C)cs1 485041755 JHELIEJEMMRJEF-UHFFFAOYSA-N 432.593 5.163 30 20 IKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 485708258 MKAFSDBYKGCNGX-JTQLQIEISA-N 436.327 5.021 30 20 IKED C[C@H](NC(=O)Nc1cc(F)ccc1OCC(F)(F)F)c1nc(C(F)(F)F)cs1 486658860 PVGCXKIVXVEIPP-ZETCQYMHSA-N 431.333 5.125 30 20 IKED C=C[C@@H]1CCCCN1C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1 488853764 JRVWLFJTRZEQEM-LJQANCHMSA-N 427.342 5.191 30 20 IKED COc1cccc(C[C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 497699490 ICDHSTIVDUILRG-LJQANCHMSA-N 431.511 5.049 30 20 IKED Cc1ccc(C[C@@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 502617427 HWOSECOFQIGHCG-VWLOTQADSA-N 439.559 5.879 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)c1 504935892 HPNGSFDWMFQIBO-UHFFFAOYSA-N 427.810 5.608 30 20 IKED N#C[C@@H](C(=O)Nc1cccc(Br)c1)c1nc(-c2c(F)cccc2F)cs1 505750888 NQONIOHLNWGZEX-LBPRGKRZSA-N 434.265 5.097 30 20 IKED N#C[C@@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1cccc(C(F)(F)F)c1 505971700 QVRQCOPAMMAUTE-QGZVFWFLSA-N 429.423 5.014 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(CN(Cc2ccc(C#N)cc2)CC(C)C)cs1 507749881 VFIVMMDQQZGJDO-UHFFFAOYSA-N 432.593 5.666 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C 509591867 LANNLRXNDZTNHE-UHFFFAOYSA-N 439.519 5.590 30 20 IKED C=CCn1c(SCCc2scnc2C)nc2scc(-c3cccs3)c2c1=O 509941297 IKAMLLZXXYYRMG-UHFFFAOYSA-N 431.633 5.472 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)Cc1csc(-c2cc(Br)cs2)n1 510224015 SNZAKACRKNLGBH-UHFFFAOYSA-N 448.367 5.086 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N(Cc3ccc(F)cc3)C3CC3)s2)cc1 510247552 YNJONIUJTPAGEU-UHFFFAOYSA-N 439.541 5.038 30 20 IKED CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(Cl)s1 512990289 CRAUDCLZVZWIBF-KRWDZBQOSA-N 439.924 5.271 30 20 IKED COc1ccc([C@H](Cc2ccncc2)NC2CCC(Oc3ccccc3C#N)CC2)cc1 513713955 VXKWBZOFXQSOII-HEIUKZKOSA-N 427.548 5.225 30 20 IKED COC(=O)c1ccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 515800832 LRLHACCIVOGGHB-UHFFFAOYSA-N 449.894 5.454 30 20 IKED C[C@@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)Nc1ccccc1C(F)(F)F 516824195 NSDDWTHDVUARSB-CQSZACIVSA-N 426.398 5.203 30 20 IKED CCC(=O)Nc1cccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 517395409 DWVYZSNBIJSSGV-UHFFFAOYSA-N 429.545 5.129 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1n[nH]c(-c2ccccc2)c1Br 517454678 BWEIMYNOGPCYEJ-ZDUSSCGKSA-N 441.354 5.343 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1OCCOc1ccccc1 517460868 BYDAZCDONWHHCB-LJQANCHMSA-N 432.545 5.648 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(C(=O)c4ccccc4)CC3)cc2)c1 517530398 OKOAAPWQIWYMGY-UHFFFAOYSA-N 425.488 5.477 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1csc(-c2ccsc2)n1 518654599 IRKIXBIPOVYKFF-CQSZACIVSA-N 445.660 5.995 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCO[C@@H](c4ccccc4Cl)C3)cc2)cc1 518941394 VERZCACPJASGFW-XMMPIXPASA-N 432.907 5.412 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 519573654 UDMVAQJYPGKCCT-HZPDHXFCSA-N 448.466 5.225 30 20 IKED Cc1nn(C(F)F)c(C)c1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 519957276 DICKCMVRLHVUPQ-LJQANCHMSA-N 428.870 5.385 30 20 IKED COc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1Br 520430306 OXYZWTFRFOJGCK-NSHDSACASA-N 449.276 5.349 30 20 IKED CCC[C@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1cccc(C(F)(F)F)c1 520847036 UOLITPRBEFXRPQ-KRWDZBQOSA-N 449.498 5.307 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 522459658 QRPCWJVXFXIXGQ-HKBQPEDESA-N 431.561 5.309 30 20 IKED CC[C@@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C(C)C)cc1 524433108 NARWYSZIJBOTJU-VFNWGFHPSA-N 443.494 5.125 30 20 IKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)Nc3ccc(C#N)c(C#N)c3)cc12 524836759 FUBXDBKJSKTSMJ-UHFFFAOYSA-N 431.908 5.104 30 20 IKED COc1cc(C#N)ccc1OCCN1CCC(c2nc3cc(Cl)ccc3s2)CC1 524905592 UTHYMHKNLLCLET-UHFFFAOYSA-N 427.957 5.088 30 20 IKED Cc1ccc(CNCc2cccc(OCc3cccc(C#N)c3)c2)c(OC[C@@H]2CCOC2)c1 532289151 YTQMQJGTRGSXOH-RUZDIDTESA-N 442.559 5.151 30 20 IKED C[C@H](C#N)CN(C(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1)C1CC1 532819674 NGEFOYSVBKWXRE-CYBMUJFWSA-N 431.323 5.402 30 20 IKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H]1COc2ccccc21 533629410 FQFGKEQKIFWJIT-MBSDFSHPSA-N 427.504 5.018 30 20 IKED C=C[C@H](CC(=O)N[C@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1 533956807 OAPMENBMDQOTTF-JIPXPUAJSA-N 447.600 5.218 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N(C)c1cccc(C#N)c1 534274859 SSDSOINAABOCGE-UHFFFAOYSA-N 430.533 5.173 30 20 IKED N#CCCn1cc(CNCc2ccc(Oc3ccccc3F)c(F)c2)c(-c2ccccc2)n1 538416768 IEYIVASUXUBHON-UHFFFAOYSA-N 444.485 5.824 30 20 IKED N#CC1(c2ccc(C(=O)Nc3nnc(SCc4ccc(Cl)cc4)s3)cc2)CC1 539593267 NNDWQGCOJKYBRT-UHFFFAOYSA-N 426.954 5.291 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)c1ccc(C(F)(F)F)cn1 540081154 NGPCDHMROVCNNC-GFCCVEGCSA-N 425.197 5.083 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ncc(-c3ccccc3)[nH]2)cc1 542023705 PRMNWSJGERWILI-UHFFFAOYSA-N 439.475 5.071 30 20 IKED COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 542106736 WMAWZNNVCRDPCY-OALUTQOASA-N 443.547 5.310 30 20 IKED N#CCC1CCN(C(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCCCC3)CC1 542908455 OIGRUICGTILGBD-UHFFFAOYSA-N 431.367 5.214 30 20 IKED Cc1cc(C(=O)NC(C)C)ccc1NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542942783 AYTSCSBRYHDVIN-LJQANCHMSA-N 440.547 5.555 30 20 IKED CC(=O)CCc1ccc(OCCC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 543858901 CZZNJQMECZGZLM-OAQYLSRUSA-N 440.543 5.393 30 20 IKED N#Cc1cccc(/C=C/c2nc(-c3ccccc3-c3ccc(CN4CCCC4=O)cc3)no2)c1 546321497 WQKJMPZVAXXUTC-NTCAYCPXSA-N 446.510 5.568 30 20 IKED O=C(Nc1cccc(NCC(F)(F)F)c1)c1cnn(-c2ccccc2F)c1C(F)(F)F 548058768 XFOAQRXBKYUPAR-UHFFFAOYSA-N 446.326 5.257 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3C[C@H](c4ccccc4)[C@@H]4COCC[C@@H]43)cc2)cc1 554415319 NWBKNBACDFCHTC-ZNZIZOMTSA-N 439.515 5.387 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NS(=O)(=O)c2ccc(C(F)F)cc2)cc1 554681320 AITOTOOJTBKRAM-UHFFFAOYSA-N 430.432 5.098 30 20 IKED Cc1c(C(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)sc2ccc(C#N)cc12 560860888 XIGJJIUSHFLZDW-UHFFFAOYSA-N 444.413 5.677 30 20 IKED COc1ccccc1-c1nnc(Sc2nccc(C#N)c2Cl)n1CCc1ccccc1 561103401 HHUIXWOEAZVDRA-UHFFFAOYSA-N 447.951 5.268 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)c2)cc1 569754590 FJKBIIIENJQLGE-HXUWFJFHSA-N 440.503 5.233 30 20 IKED Cc1ccc(CNC(=O)c2cccc(CNCc3ccc(C#N)cc3C(F)(F)F)c2)cc1 569860867 NDFSZLNGWLSALB-UHFFFAOYSA-N 437.465 5.105 30 20 IKED C[C@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)c1cc(C#N)ccc1Cl 570599120 BYEXDFXAFAZUCC-KRWDZBQOSA-N 429.907 5.184 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccnc(-c3cncs3)n2)c1 571511318 XXVVMLHEMFMJMV-UHFFFAOYSA-N 433.880 5.170 30 20 IKED CC(C)(CC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)Cc1ccc(Cl)cc1 578151029 UOWIHWVYZTZBCF-UHFFFAOYSA-N 428.935 5.380 30 20 IKED COc1cc(C(=O)N(CCC#N)c2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 579455393 SLDCXNYKVHYNCZ-UHFFFAOYSA-N 438.886 5.627 30 20 IKED CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 589366367 PMGNXYMYQXUAKN-UHFFFAOYSA-N 426.398 5.428 30 20 IKED CSc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1[N+](=O)[O-] 603613646 ITYVKDWFFIPNDP-LLVKDONJSA-N 437.424 5.435 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(OCc4cscn4)c3)cn2)c1 603624230 XEWMXRJBLOLCLE-UHFFFAOYSA-N 428.473 5.033 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NCc2ccccc2OC2CCCC2)n1 603905846 XHFQZCJIPCPRLK-UHFFFAOYSA-N 449.498 5.010 30 20 IKED Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 604331249 RBRMBBWBIZKRPU-UHFFFAOYSA-N 439.519 5.129 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H](C(=O)c4ccc(F)cc4)C3)cc2)c1 606575404 PCRVUHKPNKUCOO-HXUWFJFHSA-N 443.478 5.616 30 20 IKED O=C(CCOCC(F)(F)F)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F 607064125 FMORUIKRVIZDNC-UHFFFAOYSA-N 429.304 5.267 30 20 IKED Cc1c(NC(=O)c2ccc(COc3ccccc3C#N)o2)cccc1OCC(F)(F)F 609022758 VMBDQIFTSZLRPA-UHFFFAOYSA-N 430.382 5.232 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]3c3ccsc3)cc2Cl)c1 609079754 KAFDEXJBCBMZRP-OAQYLSRUSA-N 437.952 6.221 30 20 IKED CCN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@H](C)Cc1ccc(OC)cc1 609432810 FKEMJLYVQJWVPS-QGZVFWFLSA-N 434.565 5.099 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl 609435396 LVKAWOFMJXQNEQ-NWDGAFQWSA-N 426.344 6.409 30 20 IKED COc1cc(C[S@](=O)Cc2c(F)cccc2Cl)ccc1OCc1cccc(C#N)c1 609743068 RPVSGBCLLDSNND-PMERELPUSA-N 443.927 5.387 30 20 IKED COc1ccc(-c2cc(NC(=O)N[C@@H](C)c3cccc(C#N)c3)ccc2OC(F)F)cc1 610318171 FJDBBJJVCLYRHE-HNNXBMFYSA-N 437.446 5.718 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)c1cccc(C#N)c1 610324607 HIVWDZAOCPTAMJ-AWEZNQCLSA-N 426.398 5.647 30 20 IKED COc1ccc([C@@H](CNC(=O)N[C@H](C)c2cccc(C#N)c2)c2c[nH]c3ccccc23)cc1 610400268 XFAIYLGOKQAYTO-HOYKHHGWSA-N 438.531 5.240 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCc2sc(Br)cc2C1 610936065 LYWZXWOMGWTNKQ-GFCCVEGCSA-N 436.400 5.353 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(c4cccnc4)CC3)cc2Cl)c1 611261406 MBOILNDRQGHNQQ-UHFFFAOYSA-N 446.938 5.597 30 20 IKED CC(C)NC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 613319723 LQYDYAQTCLRXLS-GOSISDBHSA-N 438.940 5.483 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(C)cc2OCC)nnc1-c1ccc(Cl)cc1 614824613 KMPPXZAKLVCCJB-UHFFFAOYSA-N 442.972 5.222 30 20 IKED CC(C)(C)c1nsc(Oc2ccc(NC(=O)c3cc(O)cc(C#N)c3)cc2Cl)n1 614897375 MXHIRLFIFYDBKQ-UHFFFAOYSA-N 428.901 5.111 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)NCc1cccc(NC(=O)c2ccc(C)cc2)c1 615760520 PXFXTNOCDMKUTB-UHFFFAOYSA-N 431.511 5.284 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1nc(C(F)(F)F)cs1 618746984 HQUXABLIIZEIHN-NSHDSACASA-N 433.415 5.104 30 20 IKED O=C(c1cc(-c2ccccc2C(F)(F)F)on1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 643224455 MKGJHHWZHBAODX-PHIMTYICSA-N 446.269 5.173 30 20 IKED O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674616100 FDZFDJWHZFLQSE-BBWFWOEESA-N 434.355 5.297 30 20 IKED C[C@@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(OCC(F)(F)F)cc1 675737371 GGCVCHZFKRDWNK-ZZVYKPCYSA-N 437.346 6.188 30 20 IKED C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 679502115 XZASHUVYFUXEHW-OASPWFOLSA-N 436.318 5.019 30 20 IKED Cc1cc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(O)c2)c(C)s1 726570593 GZVROBLHDHMERV-UHFFFAOYSA-O 442.973 5.206 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)CCCC3)[n+]2ccc(CC)cc2)c1 726573342 XRXFCNFEUBUNDN-UHFFFAOYSA-O 439.604 5.720 30 20 IKED C=CCc1cc(C(=O)OCc2nnc(-c3c(Cl)cccc3Cl)o2)cc(OC)c1OC 726633544 SHBVNJPNGGBWSJ-UHFFFAOYSA-N 449.290 5.146 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(SC(F)F)c2)cc1C 727412332 DVPWOTZKSCNMCT-UHFFFAOYSA-N 426.492 5.648 30 20 IKED COc1cccc([C@H](C#N)NC(=O)c2cccc(CSc3ccc(C)cc3C)c2)c1OC 729427044 COFJHOWVNNNWCE-QFIPXVFZSA-N 446.572 5.608 30 20 IKED Cc1cc(SCC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c(C)cc1Br 730421718 NRLYFMMVGQEMGY-ZDUSSCGKSA-N 449.370 5.783 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(-c2ccoc2)n1 731135747 IHNPLNBAUXPEHW-QGZVFWFLSA-N 429.457 5.157 30 20 IKED CCOc1cc(/C=C\C(=O)c2cc(OC)c(OC)cc2C)cc(Br)c1OC 731317901 FRJJVQPREHFLKP-FPLPWBNLSA-N 435.314 5.078 30 20 IKED C=CCOc1ccc(/C=C\c2nc(C3(NC(=O)OC(C)(C)C)CCCC3)no2)cc1OC 731799892 YBCXTMJGCNZHID-BENRWUELSA-N 441.528 5.107 30 20 IKED N#CCOc1ccc(CC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)cc1 731958938 WKXZCNGMVOVMBB-UHFFFAOYSA-N 437.293 5.325 30 20 IKED C[C@@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)Nc1cccc2ccccc12 732398810 DCRJENMAFRWWTJ-QGZVFWFLSA-N 437.455 5.083 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2ccccc2Nc2ccc(OC)cc2)ccc1OC 733278820 YHSVSBWKZXXVNW-HXUWFJFHSA-N 445.519 5.058 30 20 IKED C#CCN(C(=O)Nc1cccc(CSC)c1)[C@@H]1CCOc2ccc(Br)cc21 733633300 BTNTYVZMBBEQSQ-LJQANCHMSA-N 445.382 5.303 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)c1 733807031 QAZIRISJVNKQRN-KNQAVFIVSA-N 439.968 5.671 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1csc(-c2ccc(O)cc2)n1 733888448 BXRXJONVLMOYMU-UHFFFAOYSA-N 428.473 5.135 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 734643688 GRYWDLHUDWUAHR-OAQYLSRUSA-N 443.894 5.367 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)[C@]2(Cc3cccc(OC)c3)C[C@H]3CC[C@H]2C3)c1 735444886 YXDWJMDUMKGOPT-DDMPBLKVSA-N 432.564 5.041 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc(Nc2ccccc2)c1 735722715 GPILMJIRIQUPSA-GOSISDBHSA-N 445.544 5.620 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(-c4ccc(Br)cc4)n3C)[nH]c12 735792295 KLNWSXXCHOOWNQ-MRXNPFEDSA-N 433.309 5.129 30 20 IKED Cc1cc(COc2ccc(/C=C/C(=O)c3c(Cl)nc4ccccn34)cc2)oc1C(=O)O 737446506 UOODALOQGFEDHM-JXMROGBWSA-N 436.851 5.062 30 20 IKED C=CCn1c(-c2cccc(C)c2)nn(CN(CCC)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1=S 740859922 VZVKRUFQWMQYII-NJDAHSKKSA-N 426.630 5.059 30 20 IKED N#Cc1cc(NC(=O)c2cccnc2-n2cccn2)ccc1Oc1ccc(C(F)(F)F)cc1 742785206 QEDZLQMWWQOSJU-UHFFFAOYSA-N 449.392 5.202 30 20 IKED C[C@H](C#N)CN(C)Cn1nc(-c2ccc(Br)cc2)n(C2CCCCC2)c1=S 746705857 CHMYAJLIIKOEDD-OAHLLOKOSA-N 448.434 5.398 30 20 IKED COc1cc(C(=O)/C=C\c2csc(COc3ccc(Cl)cc3)n2)ccc1SC 747615369 WNVOXIZAEYBSDV-TWGQIWQCSA-N 431.966 6.002 30 20 IKED CC(C)(C)OC(=O)N1CCc2cc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)ccc21 752672165 VRFGRTRBNGLAML-FYYLOGMGSA-N 446.551 5.288 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)cc1 754098737 CBWLGVUCPPBTMI-SKBVVQJISA-N 437.543 5.123 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 761664606 JJGYGYFKMNHLFO-NRFANRHFSA-N 425.410 5.112 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)[C@@H]1CC12CCC2 764754724 KDJXFXYZAHFWHF-LURJTMIESA-N 440.224 5.161 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)[C@H]1C[C@@H]1C1CC1 764755536 XOMGZFPVZDBCIC-RQJHMYQMSA-N 440.224 5.017 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(Br)cc1 766627317 KXUMOUBFIWCUJY-SMDDNHRTSA-N 447.304 5.831 30 20 IKED N#Cc1ccc(F)c(CN[C@@H]2CCCc3nc(-c4ccccc4Br)sc32)c1 773030792 UIXVGTFPQDZFKK-GOSISDBHSA-N 442.357 5.751 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3C[C@@H](O)c3ccc(F)cc3)cn2)cc1 773263022 OLGUNAQATRUQDY-JTHBVZDNSA-N 446.482 5.005 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)c2c1N(C(=O)c1cc3ccccc3n1CC#N)CCC2 777778257 NMBNNVALWCIQII-UHFFFAOYSA-N 444.535 5.413 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCCc2cn(C(C)C)nc21 780423175 YYWRHAWMIZLIJM-XMMPIXPASA-N 443.551 5.422 30 20 IKED CCOc1cc(CNCc2ccc(C#N)cn2)ccc1OCc1c(F)cccc1Cl 780555738 RKOLVEWFKGCLNZ-UHFFFAOYSA-N 425.891 5.013 30 20 IKED Cc1ccc(Cl)c(NC(=S)NC2CCC(Oc3ncccc3C#N)CC2)c1Cl 782210854 DCMVVKXDLVOZEC-UHFFFAOYSA-N 435.380 5.245 30 20 IKED Cc1cc(Br)cc2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)oc12 783077723 XJWURKBWZRRRGF-OAHLLOKOSA-N 431.673 5.118 30 20 IKED CC[C@H](NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccc(OC)cc2)c(C)s1)c1ccccc1 787032010 OIPJJNNQFULMRC-VXKWHMMOSA-N 432.545 5.322 30 20 IKED N#C[C@@H](C(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1nccc2ccccc12 792091109 JJRQJKVBCHUGRZ-CJFMBICVSA-N 430.479 6.223 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ncc(Cc2cccc(OC)c2)s1 796618247 GIIVKXDZMBTOMY-UHFFFAOYSA-N 439.585 5.130 30 20 IKED CC(C)(C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1[N+](=O)[O-] 796757123 TWSBVRLEOUEFOV-LBPRGKRZSA-N 433.411 5.377 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CC2)c1 796813767 ZNIDUBOMCQVUNJ-OAHLLOKOSA-N 429.398 5.234 30 20 IKED O=C(C[C@H]1SC(=Nc2ccsc2)N(C[C@H]2CCC(F)(F)C2)C1=O)Nc1ccccc1 797427231 FLKULZKSNMIIEO-WMLDXEAASA-N 449.548 5.144 30 20 IKED Cc1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2cccs2)c2ccccc2n1 802699565 MCDNATMAVLXODH-DEOSSOPVSA-N 428.565 5.042 30 20 IKED CN(C)CCn1ncc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1-c1ccccc1 806450174 JNLPZUOXKFJTQV-VWLOTQADSA-N 449.558 5.019 30 20 IKED N#C[C@@H](C(=O)c1csc(COc2ccc(F)cc2)n1)c1nc(-c2ccccc2)cs1 915101943 KYNAEVLRVYDWAQ-KRWDZBQOSA-N 435.505 5.475 30 20 IKED C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915103704 CAGQOCLRUQDWLD-WBMJQRKESA-N 441.434 5.007 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 915353802 XOQILVCFPWUASV-DNQXCXABSA-N 439.515 5.482 30 20 IKED CC[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(Cl)c1 915766588 QVRNAVRBNKCOIQ-XZOQPEGZSA-N 431.923 5.201 30 20 IKED N#Cc1ccccc1NC(=S)N(C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2 915997386 IELOYFJSMKVHHX-TWGQIWQCSA-N 427.529 5.246 30 20 IKED O=C(C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C2CC2)C1=O)Nc1ccccc1 916213335 BFUUXNKWWFKINU-QGZVFWFLSA-N 447.532 5.124 30 20 IKED Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1ccc(N2CCCCC2)s1 916277185 WZKVUYNWPWTZMT-UHFFFAOYSA-N 438.409 5.475 30 20 IKED CC[C@H](C)c1ccccc1OCC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916887907 OXXOOUUKCFXLPY-KBXCAEBGSA-N 432.492 5.241 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(OC2CCCC2)cc1 916888476 VZDOILLPRABMFM-IBGZPJMESA-N 430.476 5.284 30 20 IKED Cc1oc(-c2cccs2)nc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916975765 FGSGVTPZIRFITL-AWEZNQCLSA-N 425.922 5.979 30 20 IKED Fc1ccccc1-c1ccc(C=Nn2c(S)nnc2-c2ccc(OC(F)F)cc2)o1 917027793 NAKJPESCMXKJIN-UHFFFAOYSA-N 430.411 5.117 30 20 IKED N#C[C@H](C(=O)CCCOc1cccc(Br)c1)c1nc2cc(Cl)ccc2s1 917045826 AORGGPAASLNAMX-OAHLLOKOSA-N 449.757 5.748 30 20 IKED CCCOc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 917046106 FLGWPLVXBLOTAK-QGZVFWFLSA-N 426.925 5.578 30 20 IKED CCCN(C(=O)c1ccccc1OCC#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 919978368 RDZPRKWCJGRTOZ-UHFFFAOYSA-N 446.359 6.076 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 920106758 ZYTXJIUQDHNEEJ-QXHGNLAOSA-N 428.488 5.949 30 20 IKED C[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccc(C(F)(F)F)cc1 920140732 BFUHKKCFKDFFHW-LIRRHRJNSA-N 439.462 6.071 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3scnc3C3CC3)CCC2)cc1 1786102588 QLSJQSZJAAKYAV-UHFFFAOYSA-N 435.593 5.537 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CC(F)(F)F)cc3)CCC2)c1 1787876982 OHEOGHQCYHMBBT-OAHLLOKOSA-N 429.442 5.014 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)COC4)cc2)CCC1 1789035826 QKLOOVXBZICAAR-UHFFFAOYSA-N 430.548 5.233 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4c3OCC4)CCC2)cc1 1789453859 HJFXDXMKEWVMJA-QFIPXVFZSA-N 430.548 5.138 30 20 IKED C/C=C/C=C\C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1791244214 OEXZIDMGLLKASL-LMJRQTCTSA-N 443.547 5.225 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3ccoc3c2)CC1 1828830486 NFKQGPCUOJGNHT-RPWUZVMVSA-N 434.580 5.435 30 20 IKED CC1(C)CCC(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)CC1 1830016158 BFGKWXMHTUIPOY-RUZDIDTESA-N 449.639 5.398 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccsc3[nH]2)CC1 1830886722 IAPNFTYHRUTIMD-OAQYLSRUSA-N 441.641 5.455 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)c2ccc(Cl)cc2)CC1 1831367030 DRMJTMXYPKKHMI-YYDVJCTNSA-N 431.020 5.275 30 20 IKED CC[C@H](C)c1ccc([C@H](NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c2cccs2)cc1 9930350 YGIPNNUQVQXYPW-LMKMVOKYSA-N 447.604 5.277 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(\S)Nc2ccc(F)cc2F)c1 11249558 AFWSNNHMBJMXLH-UHFFFAOYSA-O 425.524 5.735 30 20 IKED C[C@H]1CN(Cc2csc(/N=C(\O)c3ccc(-c4ccc(F)cc4)s3)n2)C[C@@H](C)O1 22301475 ZKXCPJLOZQSXQJ-OKILXGFUSA-N 431.558 5.256 30 20 IKED CN(C)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccccc2Cl)cc1 22730372 DWBMEGNVDNYYIF-UHFFFAOYSA-O 446.930 5.023 30 20 IKED C[C@H](Sc1nccn1-c1cccc(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCC2 25410217 QRYIPFDHQYFGDY-LBPRGKRZSA-N 428.970 5.067 30 20 IKED CCOc1ccc(-c2nc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)cs2)cc1 58499341 ZONYYBWEYJVJGZ-UHFFFAOYSA-N 445.466 5.285 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 107606977 NVJOUOAXKQSIMQ-UHFFFAOYSA-N 441.940 5.065 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)ccc1OCCC(C)C 195557456 CIWDNVUZVYJKQO-INIZCTEOSA-N 427.451 5.355 30 20 IKED Cc1ccc(OCc2nnc(S[C@H](C)C(=O)/C=C3\N(C)c4ccccc4C3(C)C)o2)cc1 214016230 DJWSQOJYFYTEIA-VVRYKASASA-N 449.576 5.318 30 20 IKED C[C@H](C#N)Oc1ccc(CNC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)cc1 237610487 ZIZUEGVARLVTLD-JOCHJYFZSA-N 442.559 5.352 30 20 IKED C=CCN(C(=O)Cc1coc2cc(C)c(C(C)C)cc12)c1nc(C(=O)OCC)cs1 409822207 FFWJTLTZBOYLTB-UHFFFAOYSA-N 426.538 5.260 30 20 IKED COc1ccc([C@H](NCc2cccc(F)c2C#N)c2ccccc2)cc1Br 427420027 IMKKTZGJIFHIDG-JOCHJYFZSA-N 425.301 5.348 30 20 IKED C[C@@H](NC(=O)c1cccc(SCC#N)c1)c1ccc(NC(=O)Nc2ccccc2)cc1 431158871 LMEQXLHHSOKSLU-QGZVFWFLSA-N 430.533 5.437 30 20 IKED COC(=O)[C@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)[C@H]1C(C)C 432677198 JHGFPQZBYRTKSK-ONTIZHBOSA-N 439.943 5.047 30 20 IKED COC(=O)C[C@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)c(F)c1 434222572 KGYPXFPRVIMEFE-UGSOOPFHSA-N 449.935 5.157 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2noc(C(F)F)n2)cc1)c1nc2cc(Cl)ccc2s1 436698617 QSOFJNYLHFMDKS-GFCCVEGCSA-N 430.823 5.427 30 20 IKED CC(C)c1nccn1Cc1cccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 437734554 IGYLYYJOJWYZPA-ZEQRLZLVSA-N 427.552 5.358 30 20 IKED C[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)[C@H](OC1CCOCC1)c1ccccc1 437815155 LXJYKBMBRUZLRH-DCFHFQCYSA-N 440.543 5.280 30 20 IKED C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 437932659 MDSOUSRTKKOASV-KAQDMCDHSA-N 444.579 5.108 30 20 IKED Cc1cc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)ccc1NC(=O)c1ccco1 438233098 FGXPVSSOPUWLQD-IRLDBZIGSA-N 428.492 5.144 30 20 IKED CC(C)N(C[C@H](O)COc1cccc2ccccc12)C(=O)N[C@H](CCC#N)c1ccccc1 440250755 BSAQJCZKGMPZAL-UKILVPOCSA-N 445.563 5.045 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1cccc(OC(F)(F)F)c1 440796967 LZLHQMAAIZRWEQ-CQSZACIVSA-N 427.382 5.135 30 20 IKED C[C@@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)cc1 442066583 UUSPBPVQWJUVOK-OAHLLOKOSA-N 435.936 5.642 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(C(F)(F)F)cc2Cl)c1C#N 445564355 ODTKYKFUHUGXFU-UHFFFAOYSA-N 436.846 5.390 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)c1ccc(Br)cn1 460165374 CKSKZOGEJGUKOQ-UHFFFAOYSA-N 426.701 5.216 30 20 IKED C[C@@H](C(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1cccc(C#N)c1 462197591 VEOPWGXBLYQUIM-OAHLLOKOSA-N 425.410 5.184 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c1 462914617 UAKUSECKKYESLJ-XUZZJYLKSA-N 432.907 5.654 30 20 IKED CCOc1cc(Cc2noc([C@H](C)c3cccc(C#N)c3)n2)ccc1OCC(F)(F)F 463055735 NJFXJEPFZNOEOW-CQSZACIVSA-N 431.414 5.024 30 20 IKED CC(C)CN(C(=O)[C@H](C)c1cccc(C#N)c1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 464284318 JFHAWSLEBKNSSD-MRXNPFEDSA-N 434.521 5.383 30 20 IKED C=CCOc1ccccc1C(=O)Nc1ccc(Oc2ccccc2S(=O)(=O)CC)cc1 465265084 GXBIYMJXJZRZHU-UHFFFAOYSA-N 437.517 5.090 30 20 IKED N#CCCCN1C(=O)CCc2cc(NCc3cccc(OCc4ccccc4)c3)ccc21 469053611 SVEFADRRQHPQBT-UHFFFAOYSA-N 425.532 5.461 30 20 IKED C[C@H](CC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1C(F)(F)F 469972352 IOFSOCWRTZPJSU-MRXNPFEDSA-N 443.469 5.421 30 20 IKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccc(C(C)(C)C#N)cc1)CC2 474417772 ZBSUKKYWKQFZPV-DEOSSOPVSA-N 446.572 5.354 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F 475560237 SQFMZOQYMQQNJT-OAQYLSRUSA-N 445.485 5.262 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 476700291 VNPAOHDBSRCDAS-GCJKJVERSA-N 449.913 5.041 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H](Nc3ccccc3)C2)cc1 478644148 GCMVWAMSBYFEBL-QFIPXVFZSA-N 442.519 5.468 30 20 IKED N#CCC[C@H](NC(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1ccccc1 482418943 VRKHQTBFHBFDAQ-DLBZAZTESA-N 427.373 5.236 30 20 IKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(CCC#N)CC(F)(F)F)cc12 482651214 XQUABWGNULHGGQ-UHFFFAOYSA-N 440.878 5.026 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)N[C@@H](CCCC#N)c3ccccc3)s2)cc1OC 487346331 PENQPNBLSIHKKU-IBGZPJMESA-N 435.549 5.301 30 20 IKED C=CCn1c(Sc2ccc3nnc(-c4ccccc4)n3n2)nnc1-c1ccc(Cl)cc1 487995909 WQPIWQNBIWGLDN-UHFFFAOYSA-N 445.939 5.040 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)nnc1-c1ccco1 489658268 BVEUSMOCFUZWCW-UXHICEINSA-N 436.581 5.049 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3cc(F)c(OC(F)F)cc3F)c2)cc1 490265698 AWEQRZQZWHIABG-UHFFFAOYSA-N 430.357 5.269 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H](c4nc5c(s4)CCCC5)C3)cc2)nc1 491098040 BVQCJRZVPRWZQB-LJQANCHMSA-N 444.560 5.101 30 20 IKED CC1CCN(C[C@@H]2CCCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)C2)CC1 491493163 ZXHSRQHCMVWVMM-QFIPXVFZSA-N 432.568 5.326 30 20 IKED N#CCN(C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1)c1ccccc1 495525425 ABCDBBXDSLGYTO-UHFFFAOYSA-N 425.257 5.551 30 20 IKED C=CCn1c(SCc2cccc(C(=O)N(C)C)c2)nnc1-c1ccc(C(C)(C)C)cc1 498743153 BLLRAJRKHUCYGM-UHFFFAOYSA-N 434.609 5.423 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1 500297444 AWEWVQMUZAHYPM-UHFFFAOYSA-N 435.959 5.214 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)C3(c4cccc(Cl)c4)CCCCC3)CC2)c1 501728008 XHYAAYOWELZAPL-UHFFFAOYSA-N 449.982 5.291 30 20 IKED Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C 503015614 INRPXZGPNQJIRW-DEOSSOPVSA-N 442.943 5.428 30 20 IKED C=CCn1c(SCc2nc3cc(Br)ccc3o2)nnc1-c1ccoc1C 505429693 ZUDGALFSVXEFGA-UHFFFAOYSA-N 431.315 5.229 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(Br)c(O)nc1C 506788600 HBUMSQFNPUORBU-UHFFFAOYSA-N 438.281 5.083 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3csc(-c4ncccc4F)n3)c2)c1 506963282 OWODWEMVRXUBGP-UHFFFAOYSA-N 430.464 5.047 30 20 IKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(CC(F)(F)F)c1ccccn1 508600840 ZSSJPURLMARFJY-UHFFFAOYSA-N 446.269 5.094 30 20 IKED C[C@@H]1C/C(=C/c2ccco2)c2nc3ccccc3c(C(=O)N3CCC(C)(C#N)CC3)c2C1 509415280 ISENIBGIJRADDY-UGDGIKRESA-N 425.532 5.717 30 20 IKED N#CCCCOc1cccc(NC(=O)c2ccc(Br)c(OC(F)(F)F)c2)c1 509554205 GFLUVFJLGTYOIK-UHFFFAOYSA-N 443.219 5.283 30 20 IKED Cc1c(CSC(C)C)cccc1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 510128990 BONADPKJTHTNFK-UHFFFAOYSA-N 438.597 5.415 30 20 IKED N#Cc1c(NC(=O)c2ccc(OCC(F)(F)F)cc2)sc2c1-c1ccccc1CC2 511087565 YYVXBFASCDHMGI-UHFFFAOYSA-N 428.435 5.579 30 20 IKED CN(CCCOc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511390964 MMJBFJYCAFFFQT-UHFFFAOYSA-N 429.520 5.264 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)oc2c(Cl)cccc12 513676961 NRKOMLDBGOHNTG-CYBMUJFWSA-N 437.908 5.474 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cc(C(F)(F)F)cnc2O)cc1 513861153 GWZZHOQOWBIDBI-UHFFFAOYSA-N 444.388 5.051 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 514495455 ZQICGQGHUHHYLB-UHFFFAOYSA-N 440.572 5.549 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)c1 517885729 GQMZNJSVRVGENV-UHFFFAOYSA-N 439.559 5.333 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](Nc3ccccc3)C2)cc1Cl 517896647 LQKYBYYLDXVEBO-GGAORHGYSA-N 430.939 5.714 30 20 IKED C[C@@H](C#N)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 521534749 XYMUJTDHPSILJZ-AMRJIULGSA-N 440.503 5.252 30 20 IKED CCOc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1C 521713719 WMFGNFNJTSYTPX-UHFFFAOYSA-N 444.500 5.219 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1 523942717 ALOCSOMCBCZQML-QHCPKHFHSA-N 436.870 5.357 30 20 IKED C[C@@](C#N)(CCc1ccccc1)NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 533046464 XPHOHQSXTNLLIG-QFIPXVFZSA-N 444.387 5.691 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1cc(-c2ccccc2)nn1C(C)(C)C)c1ccccc1 534195846 SIVITWPROKIHOI-NRFANRHFSA-N 430.552 5.067 30 20 IKED N#Cc1cccc(COc2cccc(CNc3cccc4c3CN(c3nccs3)C4)c2)c1 536163760 WSCWCXNHFVVAHC-UHFFFAOYSA-N 438.556 5.726 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(Cc3cccnc3)CC2)cc1Cl 536735251 RMMJSQRBPFCPND-DEOSSOPVSA-N 444.966 5.877 30 20 IKED Cc1c(C#N)c(NC(=O)CCN[C@H](C)c2c(F)cccc2Cl)n(Cc2ccco2)c1C 537175136 UDSUDKSXKKELME-OAHLLOKOSA-N 442.922 5.090 30 20 IKED Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 538107908 MPINQXQPIRCHSA-GOSISDBHSA-N 432.593 6.016 30 20 IKED CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 538337251 KAKSEWGKVLNMTC-OSPHWJPCSA-N 434.536 5.496 30 20 IKED Cc1cc(NC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)Cc2cccs2)nn1CCC#N 538620302 BPEITUKWWICCLL-MRXNPFEDSA-N 441.988 5.485 30 20 IKED Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3ccc(-c4cccc(OC(F)(F)F)c4)s3)nc12 538996507 DCRRCXISKLWGFU-CQSZACIVSA-N 442.422 5.384 30 20 IKED CN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 539011650 OZPPMEHJYGMKGI-UHFFFAOYSA-N 434.315 5.159 30 20 IKED C[C@H](NC(=O)N[C@@H](C)c1ccc([S@@](C)=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 542077118 CUGPQUVBJFRLGN-AMBJDXJFSA-N 431.561 5.084 30 20 IKED CCc1nn(C)cc1C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 542169875 XBFMDVCEIPWLOD-CYBMUJFWSA-N 447.301 5.054 30 20 IKED N#Cc1ccccc1Sc1ccc(-c2nc(-c3ccccc3NC(=O)C3CC3)no2)cc1 546293888 CTLUKPRIRPOGJS-UHFFFAOYSA-N 438.512 5.775 30 20 IKED CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2ccc(C#N)c(Cl)c2)c1 548607445 XOQFGDAZJDVHCQ-KRWDZBQOSA-N 431.923 5.574 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCCC2(CCOCC2)C1 558996616 MEILMKUVAWSHBQ-GOSISDBHSA-N 430.980 5.045 30 20 IKED CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 571152899 YTNNLFSYXNEUJA-UHFFFAOYSA-N 428.410 5.126 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)c3nc4ccccc4cc3Br)c2C#N)C1 572753563 VBYMJPPAJCBZOI-NSHDSACASA-N 426.339 5.308 30 20 IKED N#Cc1ccc(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c(OC(F)F)c1 573512454 VWHMXURPEKIMTD-HXUWFJFHSA-N 440.412 5.436 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3ccc4c(c3)nc(O)n4C3CCCC3)cc2)ccn1 577567817 VMKMIQJSAZLIJH-UHFFFAOYSA-N 439.475 5.168 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@@H]2CCCCC[C@H]2c2ccc(Cl)cc2)CC1 578212177 ZAQMAMSJRZXPIH-FCHUYYIVSA-N 436.987 5.418 30 20 IKED CC(C)Cn1cc(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c(C(F)F)n1 579652728 RIKMERYEUFGUCC-UHFFFAOYSA-N 426.427 5.180 30 20 IKED COC(C)(C)c1nc(C)c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)s1 580263740 BHEHIZGJWLOGSP-UHFFFAOYSA-N 425.485 5.388 30 20 IKED Cc1cc(O)nc2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)ccc12 582084728 DIDBDZOUYZEEPH-UHFFFAOYSA-N 427.435 5.091 30 20 IKED O=C(NCC1(c2cccc(Cl)c2)CCOCC1)Nc1cccc(C#Cc2ccccn2)c1 601187354 LNLXGZUFUDKNPD-UHFFFAOYSA-N 445.950 5.005 30 20 IKED CN(C)Cc1ccc(-c2ccccc2CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 603656283 GJYGUOYCMMGNDU-UHFFFAOYSA-N 426.564 5.538 30 20 IKED CN(CC(=O)Nc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604090615 ZDPZVGOIGAFXAT-UHFFFAOYSA-N 434.883 5.106 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCCc2ccccc2)cc1Cl 604139521 VOPLUHCEYWZNRB-HSZRJFAPSA-N 445.950 5.073 30 20 IKED CCCCN(C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@@H](C)c1ccccc1 604507446 WBPMTDHWPOXQDP-IBGZPJMESA-N 442.519 5.074 30 20 IKED C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 606174456 MCMNVIKQZWUVRU-LERXQTSPSA-N 449.357 5.910 30 20 IKED Cc1cc(Sc2ncccn2)ccc1NC(=O)c1ccc(COc2ccccc2C#N)o1 608895488 MLBUZVRXRNREHB-UHFFFAOYSA-N 442.500 5.232 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 609370825 AELAHALKNOOUEU-MRXNPFEDSA-N 449.605 5.270 30 20 IKED N#CCn1c(-c2nc(-c3ccc(Cn4cnc5ccccc54)cc3)no2)cc2ccccc21 609475534 GLXNKBHESDJRSL-UHFFFAOYSA-N 430.471 5.280 30 20 IKED C=CCN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc(C(=O)OCC)cs1 609502342 XZCZTEWNGKQUPE-UHFFFAOYSA-N 447.516 5.011 30 20 IKED N#Cc1ccc(CCC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCC3)cc1 609507858 DRRCQLNZZWHEMU-UHFFFAOYSA-N 429.570 5.956 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N(Cc3cscn3)c3ccccc3)c2)cc1 609644384 QNZPLNPYWWNXHE-UHFFFAOYSA-N 425.513 5.441 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccccc2CN2CCOCC2)c1 609723614 MYEBPPGCUPQRAT-UHFFFAOYSA-N 447.922 5.088 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)cc1 610152800 JKOQWWFRHVUYGF-IAGOWNOFSA-N 442.359 5.151 30 20 IKED C[C@@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1C(F)(F)F 610225005 WKXBIYFUIXIFMT-QGZVFWFLSA-N 438.449 6.093 30 20 IKED N#Cc1ccc(N2CCC[C@@H]2c2nc(Cc3c[nH]c4cccc(Br)c34)no2)cc1 615132932 DRAGDDVENMWLNC-LJQANCHMSA-N 448.324 5.117 30 20 IKED CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H](C)c1cccc(C#N)c1 619529140 JBBZETDJOVSAGW-ZDUSSCGKSA-N 428.319 6.134 30 20 IKED Cc1ccc([C@@H](NCc2ccc(C#N)c(Cl)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 619755130 UKOUFTYNGPZTRB-DEOSSOPVSA-N 438.980 5.111 30 20 IKED O=C(Cc1csc(Cc2cccc(Cl)c2)n1)NCC#Cc1cccc(C(F)(F)F)c1 642293414 BJGWGHVWTGCNMK-UHFFFAOYSA-N 448.897 5.117 30 20 IKED O=C(NCc1ccc(C2CC2)cc1F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 644112079 WWMHCESBPILBMU-FICVDOATSA-N 426.376 5.412 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N(CCC(F)(F)F)CC1CC1 674617929 FVDRFLUWTLRLSZ-QWRGUYRKSA-N 428.339 5.270 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ncccc2F)n1)c1nc2cc(C(F)(F)F)ccc2s1 678171465 KSGHEKNVYKLAOZ-JTQLQIEISA-N 448.426 5.463 30 20 IKED O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@H]1C[C@H]2CC[C@H]1O2 679995296 OLJBXXJFDISDFA-YVECIDJPSA-N 435.286 5.011 30 20 IKED O=C(NC[C@H](c1ccccc1)C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 681612984 UOYNYGWPNVGMNF-FRRDWIJNSA-N 436.318 5.105 30 20 IKED C[C@H](OC(=O)[C@H](C)c1c(Cl)cccc1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 726033696 ZNYCZJBSQZBOME-MNOVXSKESA-N 437.348 5.089 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C\c3csc(-c4ccsc4)n3)SC2=S)cc1Cl 726627447 QLIQOAUAZIPUKD-PJQLUOCWSA-N 446.003 5.802 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1OC 726864922 PBZMPOZZQFONOJ-ROOORRATSA-N 445.519 5.077 30 20 IKED C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl 728411780 LELVFKZECSCKKY-PXNSSMCTSA-N 432.907 5.046 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 728505546 LLBYCLVZLNDNFE-GOSISDBHSA-N 434.414 5.301 30 20 IKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCCCC#N)c1 728780119 NXYNBLNBMQUDMX-JOCHJYFZSA-N 448.592 5.464 30 20 IKED C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 730276228 IXXJRZXZJJLCTH-FNZWTVRRSA-N 447.538 6.139 30 20 IKED Cc1cc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)c(C)n1[C@@H](C)c1ccccc1 731645788 SOMAJHONWXSECB-AOMKIAJQSA-N 425.454 5.728 30 20 IKED COc1cccc(-c2nc(COC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cs2)c1 732399713 VWOQPXVYXHUJCA-UHFFFAOYSA-N 443.484 5.235 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1sccc1Br 733080265 UEADIPQZXCQZID-UHFFFAOYSA-N 442.264 5.218 30 20 IKED N#CCOc1ccc(COC(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 733416775 PFHVFSALBLMGAB-UTCJRWHESA-N 429.316 5.383 30 20 IKED N#CCOc1ccc(COC(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)cc1 733490628 IXVSRGMNKRJPGL-QFIPXVFZSA-N 425.843 5.245 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 733631035 PCWZOMBNASFWLV-UHFFFAOYSA-N 444.491 5.658 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1 733771403 QFZFQSWXSCSXSB-IBGZPJMESA-N 430.533 5.006 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2[nH]c3ccc(Br)cc3c2Cl)c1 733787277 NKMKDOPIBSYVJI-AWEZNQCLSA-N 446.732 5.195 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 735021596 MEAJSJLUFFTLOG-WJOKGBTCSA-N 435.549 5.084 30 20 IKED C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 737313301 LIPQOOTVTRAGBT-UUOWRZLLSA-N 445.950 5.024 30 20 IKED COc1ccc(/C=C\C(=O)c2sc(/C=C\c3ccc(OC)c(C#N)c3)nc2C)cc1C#N 741848519 NWXSOAWDDYYMEV-DAOKFOGXSA-N 441.512 5.279 30 20 IKED C=CCn1c(S)nnc1-c1sc(NC(=O)C(C)(C)c2ccc3ccccc3c2)nc1C 742071917 VUEGIXSIOCBUBJ-UHFFFAOYSA-N 449.605 5.254 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 743152490 WTYXYFWBALVRLY-SQNIBIBYSA-N 446.617 5.143 30 20 IKED Cc1ccc(-c2nn(CN3CCC(C#N)CC3)c(=S)n2-c2ccccc2C(C)C)cc1 747079046 RJFGMOIJYROVJI-UHFFFAOYSA-N 431.609 5.695 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)c2ccccc2)c(Cl)c1 747155328 WQODHJQRYMXHOM-ZHZULCJRSA-N 434.879 5.770 30 20 IKED CC[C@@H](C)Oc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 750684234 ODFVSPKFXMZFSQ-XMSQKQJNSA-N 428.488 5.617 30 20 IKED CCn1nc(C)c(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1C 750914328 VWSZNYBTMQUWOT-RMKNXTFCSA-N 444.285 5.347 30 20 IKED C=CCOc1ccc(CN(CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)C(C)(C)C)cc1 761912807 DJVFCROZNVGNDA-JOCHJYFZSA-N 440.547 5.089 30 20 IKED CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 763548521 MFZVUUKFHAYIQR-DHIUTWEWSA-N 445.563 5.318 30 20 IKED N#CCSc1ccccc1C(=O)NCc1ccc(Br)cc1C(F)(F)F 764073584 LNRRSHNIYOKMOV-UHFFFAOYSA-N 429.261 5.014 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)C1CCC(C(F)(F)F)CC1 774043029 LZKVKENBBMDLDA-HTWSVDAQSA-N 430.426 5.495 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(Cc2cccc(F)c2)CCC1 775061201 KDMZWKBAXFSCHA-KRWDZBQOSA-N 440.540 5.115 30 20 IKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1ccc2ccccc2n1 779195093 SKXYJOPAIJFCJP-XUZZJYLKSA-N 433.511 5.117 30 20 IKED Cn1c(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nc2cc(Cl)ccc21 779396625 KNBGDXFRKZDPLA-FQEVSTJZSA-N 429.911 5.204 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cnc(-c2ccc(F)c(F)c2)s1 780305384 IRBYQVMTCDKKJL-MRXNPFEDSA-N 439.487 5.174 30 20 IKED CCN(C(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1)[C@@H](C)c1ccc(C#N)cc1 780905979 AHMUQKHIUBJIHP-RXFWQSSRSA-N 428.532 5.170 30 20 IKED CC(C)(C)c1nnc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1 783014105 RZVYEDPHFDEICR-LBPRGKRZSA-N 449.317 5.798 30 20 IKED CC(=NOCc1ccccc1OC(F)F)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 784049911 NLIIGUJXZHPGHX-UHFFFAOYSA-N 440.372 5.137 30 20 IKED Cc1ccccc1Sc1ccc(C(=O)[C@H](C#N)C(=O)NCc2ccc(F)c(F)c2)cc1 786563033 GIRJHEBFAVSFLM-IBGZPJMESA-N 436.483 5.063 30 20 IKED O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1ccc(NC(=O)N2CCCCCC2)cc1 790548317 OASRGROTQYNCLG-UHFFFAOYSA-N 429.442 5.104 30 20 IKED N#C[C@@H](C(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1)c1cnc2ccccc2n1 792111747 XVVGAFHIQZQXCZ-MZNJEOGPSA-N 431.467 5.618 30 20 IKED N#C[C@H](C(=O)[C@H]1CC[C@H](C(F)(F)F)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 796796222 CCRBVHBAAQKPON-OUJBWJOFSA-N 433.282 6.272 30 20 IKED COc1cc(CCC(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)ccc1OCC(F)(F)F 797570196 DHEMIUQIZRGGBX-CQSZACIVSA-N 440.487 5.199 30 20 IKED Cc1ccc(-n2nc(C)c(CC(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)c2C)cc1Cl 813213905 QUWRQEZULYGLOC-GOSISDBHSA-N 446.860 5.284 30 20 IKED CC[C@H](NC(=O)CON=C(C)c1nc2ccccc2n1C(F)F)c1ccc(Cl)cc1 852327222 UHTQFIBVTRMRFZ-INIZCTEOSA-N 434.874 5.093 30 20 IKED O=C(COc1ccc(C2SCCCS2)cc1)N(O)Cc1cc(Cl)cc(Cl)c1 901380636 ZMLQKJNEDLUHDH-UHFFFAOYSA-N 444.405 5.659 30 20 IKED N#Cc1cccc(COc2cccc(/C=C(/Cl)c3nc(O)c4ccc(Cl)cc4n3)c2)c1 915983807 AKXLPFKDQITDNP-SRZZPIQSSA-N 448.309 6.176 30 20 IKED Sc1nnc(-c2cccc(Cl)c2)n1N=Cc1cc2ccccc2nc1N1CCCCC1 916344900 PRZOHMMODVMQFM-UHFFFAOYSA-N 448.983 5.308 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccccc2Cl)o1 916902485 YJRTTYIMWCRCCK-CQSZACIVSA-N 443.286 5.532 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(CSc3ccc(C)cc3C)c2)cc1 916954252 YINNVAHIOMQRHY-HSZRJFAPSA-N 444.556 5.566 30 20 IKED CCCCOc1ccc(-c2nnc(CON=Cc3ccc(Br)cc3)o2)cc1 917395596 TZAAXWZKKDSRIM-UHFFFAOYSA-N 430.302 5.229 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4cccc(F)c4)n3)n2)cc1 920142766 SCCSNXSDCHWLEQ-LJQANCHMSA-N 444.516 5.363 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)/C=C\c2ccc(-c3ccc(F)cc3)s2)n1 920328383 YHMAWJGUPCFBPG-DZFYGRHCSA-N 426.494 5.077 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cccc4cccnc34)cc2)CCC1 1788913829 XDZHARYDNFOLLT-UHFFFAOYSA-N 435.474 5.194 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccccc3N)CCC2)cc1 1789451611 OHTFXUNUUBHPEI-LJJIPZOBSA-N 429.564 5.185 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3)CCC2)CCC1 1790312214 KLXNVQQBPWFHKO-UHFFFAOYSA-N 441.453 5.147 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4nc5ccc(Cl)cn5c4C)cc3)CCC2)C1 1790974676 TXSCDSQIPSWFPF-UHFFFAOYSA-N 448.954 5.010 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4cccs4)on3)CCC2)cc1 1791250324 OIEUFSHRSKDZEP-MRXNPFEDSA-N 435.549 5.363 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)C2 1798337626 DUYQOEFYKBTKSI-PLACYPQZSA-N 449.422 5.333 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3ccoc23)[C@@H]1c1cccnc1 1812230393 PSQWNVDCFJBHKR-GMAHTHKFSA-N 445.563 5.140 30 20 IKED CC(C)(C)c1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CC#N)n[nH]2)cc(C(C)(C)C)c1 1816747272 XTEPEHIOCOBUFI-NRFANRHFSA-N 449.599 5.224 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccsc2)n[nH]1 1817522337 FUBOPDBUJWQHMA-LJQANCHMSA-N 428.602 5.089 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccccc3o2)n[nH]1 1818630408 GMQSVVWLIIZXBO-UYAOXDASSA-N 432.524 5.230 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ccn(C)c23)[nH]n1 1819554869 RZMDAMGNZFJISX-NRFANRHFSA-N 447.583 5.200 30 20 IKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)c(C)c2Cl)n[nH]1 1823142066 YUAPUNCQQASVCT-GOSISDBHSA-N 447.366 5.134 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccccc3)CC2)CC1 1823780545 FCXOXOLTUWPYKZ-DQEYMECFSA-N 434.624 5.106 30 20 IKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)CC1 1828166110 ITAHEIIZNWMXDC-LJQANCHMSA-N 443.012 5.201 30 20 IKED C=CCn1c(SCc2nc(-c3ccc(OC(F)F)c(OC)c3)no2)nc2ccccc21 12046083 AUSVPCPUNMSDAF-UHFFFAOYSA-N 444.463 5.175 30 20 IKED COc1cc(/C=C(\c2nc3ccccc3[nH]2)c2nc3ccccc3s2)ccc1OCC#N 23217663 RSXUDLPJLIXKTL-SAPNQHFASA-N 438.512 5.672 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)CCC)nc2scc(-c3ccccc3)c2c1=O 23404488 MYYWAFALUGCQRX-JKSUJKDBSA-N 441.622 5.096 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 58932129 YCXSAGBGXFMIFP-UHFFFAOYSA-N 440.500 5.063 30 20 IKED C[C@@H](SCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(OC(F)(F)F)cc1 63563415 GYQJBWQNHRHEKE-CQSZACIVSA-N 446.454 5.075 30 20 IKED C=CCc1cc(CNC(=O)Nc2ccccc2COc2ccccc2)cc(OC)c1OC 65369372 XSYWEHXRKQRPLL-UHFFFAOYSA-N 432.520 5.333 30 20 IKED C=CCN(Cc1csc(N(C(C)=O)c2ccccc2CC)n1)Cc1ccc(Cl)s1 96954743 YTMUMIKTUIEHSJ-UHFFFAOYSA-N 446.041 6.293 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccccc1F 218655713 XBNXXNZRLLNFQS-OAHLLOKOSA-N 444.963 5.660 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn(-c2cccc(Cl)c2)c1 303145557 FGLKWXYYFZQBJW-UHFFFAOYSA-N 442.906 5.537 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)c2)cc1 303563373 ANQHAANKOSSGPK-UHFFFAOYSA-N 439.515 5.016 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCCCC[C@@H]3c3ccco3)c2)cc1 303929667 WYUDLRONQVZMPW-XMMPIXPASA-N 429.520 6.074 30 20 IKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3cccc(SCC#N)c3)c2)c1 429868174 FECIIQCHARDZSL-UHFFFAOYSA-N 430.533 5.185 30 20 IKED C[C@@H](CC#N)Sc1ccccc1N[C@@H]1CCN(c2cccc(Br)c2)C1=O 432331558 OBXQLHUCWWOJKK-KBXCAEBGSA-N 430.371 5.061 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1ccnc(Oc2ccccc2Cl)c1)c1ccccc1 435749675 LBHVNBQSKDVFTL-HXUWFJFHSA-N 435.911 5.290 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](CSc3ccccc3)C2)cc1 437823343 RJJQSVIPHCNCPW-FQEVSTJZSA-N 435.593 5.147 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 437872031 NGUUCPIQGSWWGM-DNQXCXABSA-N 442.494 5.382 30 20 IKED CCCc1c(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)n2)cnn1-c1cccc(C#N)c1 440099839 QMUKFXWEELRZSY-UHFFFAOYSA-N 444.926 5.096 30 20 IKED C=CCn1c(SCC(=O)N2C[C@@H](C)CC[C@@H]2C)nnc1-c1ccc(Cl)cc1Cl 440405311 JOMLWLJZQUBDDO-KBPBESRZSA-N 439.412 5.177 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CC[C@@H]4CCC[C@H]4C3)cc2Cl)cc1 442379643 KGCAXQPLCOPBPT-OKZBNKHCSA-N 437.927 5.027 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](Oc2ccccc2Cl)C1 443938324 PHHKJQRRPORMCV-DLBZAZTESA-N 429.973 5.667 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)c1C#N 445562640 FMWVHQAJWDYCDS-KBPBESRZSA-N 426.904 5.001 30 20 IKED C[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)c1nc(Cc2ccc(F)cc2)no1 447402958 MPAUCKJMAMSOMA-QGZVFWFLSA-N 428.467 5.423 30 20 IKED CC[C@@H](N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(C#N)cc1 447536809 QDUGWDIQKJSZQC-RPWUZVMVSA-N 438.980 5.445 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c[nH]cc1-c1ccc(F)cc1 460867926 GUANIGUEBQHQPK-UHFFFAOYSA-N 425.463 5.832 30 20 IKED C=CCn1c(SCC(=O)Nc2nccc3sccc23)nnc1-c1ccc(Cl)cc1 461118578 LYPRWBKDSBIJKP-UHFFFAOYSA-N 441.969 5.125 30 20 IKED COc1cccc(-c2nc(COc3ccc(Br)cc3C#N)cs2)c1OC 469170046 OTMBOLGYNNMXCO-UHFFFAOYSA-N 431.311 5.040 30 20 IKED CC[C@H](CN(C)Cc1nnc(-c2ccc(C#N)cc2)o1)Oc1ccc(Cl)c(Cl)c1 469751787 JRZMYCIRQRFRQY-MRXNPFEDSA-N 431.323 5.204 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3C[C@H]3c3cccc(Cl)c3Cl)ccc21 469950098 HWCVSILCDBMCGC-ROUUACIJSA-N 442.346 5.319 30 20 IKED COc1ccc(C2(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)CCCCC2)cc1 470844129 IRLSNYIKLBGFKP-UHFFFAOYSA-N 445.563 5.119 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@]3(C2)OCc2ccccc23)cc1Cl 473675028 JYSWFVLZTDVFDS-BKMJKUGQSA-N 443.934 5.659 30 20 IKED N#Cc1cc(NC(=O)c2cc(O)nc(C3CC3)c2)ccc1Oc1ccc(C(F)(F)F)cc1 474083093 OJTNNWUYRFAVEC-UHFFFAOYSA-N 439.393 5.600 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCC(=O)Nc1ccc(Br)cc1C 475548475 RCJCYDSNIVQLKK-UHFFFAOYSA-N 444.373 5.370 30 20 IKED COc1cccc([C@H](NC(=O)C[C@H](CC#N)c2ccccc2)c2cc(F)ccc2OC)c1 476246976 PMRFXFPHMJZJNK-SIBVEZHUSA-N 432.495 5.136 30 20 IKED CC(C)c1oc([C@H]2CCCN2S(=O)(=O)CC2(C#N)CCCCC2)nc1-c1ccccc1 476342352 NPTHPRLQSSDUCY-HXUWFJFHSA-N 441.597 5.406 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Cl)cc1Br 477958668 ADMRRMBZNUBUCI-UHFFFAOYSA-N 425.758 5.490 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 480538853 JKKJZKCQBHCYKB-AUUYWEPGSA-N 433.936 5.336 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)cc1 480719756 HPYKXRPCUSPPMB-UHFFFAOYSA-N 447.947 5.507 30 20 IKED C=CCSc1ccccc1C(=O)Nc1cccc(C(=O)N2CCc3sccc3C2)c1C 485760996 YDZQDJVELRRGKD-UHFFFAOYSA-N 448.613 5.785 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2F)C(C)C)nnc1-c1cccc(OC)c1 488876070 LQFLIOSTTPEYAB-FQEVSTJZSA-N 440.544 5.034 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2OC)C(C)C)nnc1-c1ccccc1C 488905795 DYXANGIKAPPUCX-NRFANRHFSA-N 436.581 5.204 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1cccc(C(F)(F)F)n1 489478466 PWWCNOVNMMSISG-UHFFFAOYSA-N 427.451 5.096 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(F)cccc2F)nnc1-c1cccc(Cl)c1 489636689 SFBGKWARIJUWOQ-GFCCVEGCSA-N 434.899 5.182 30 20 IKED Cc1nc(SCC(=O)N2CCC(c3c(C)[nH]c4ccccc34)CC2)c(C#N)c(C)c1C 490394201 BEGOXOVQKSPPLF-UHFFFAOYSA-N 432.593 5.167 30 20 IKED CCN(C(=O)c1cc(NC(=O)N[C@H](CCC#N)c2ccccc2)ccc1Cl)C(C)C 490519241 GMFJWQBKNLBJRN-OAQYLSRUSA-N 426.948 5.377 30 20 IKED C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)o1 500123673 LPNIAUJTPRNHAS-ZFVVBOAOSA-N 436.562 5.161 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 502102650 ZUAIFMBAESQRLL-HOTGVXAUSA-N 449.366 5.865 30 20 IKED CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)Cc1ccc(C#N)cc1OC(F)F 502742669 ZOJCZCKMWFYXJG-UHFFFAOYSA-N 432.858 5.274 30 20 IKED C=CCN(C(=O)c1[nH]c(C)c(C(C)=O)c1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502963984 ZHSYJXPJJRVELP-UHFFFAOYSA-N 448.375 6.097 30 20 IKED N#C[C@@H](NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1cccc(Cl)c1Cl 505308933 WIWOSKUDRWEFFT-OAHLLOKOSA-N 441.274 5.103 30 20 IKED COc1cc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)ccc1OCc1cscn1 505342155 FSPXCBBFFJXION-MRXNPFEDSA-N 448.331 5.032 30 20 IKED N#C[C@H](NC(=O)Cc1csc(-c2cccc(Br)c2)n1)c1ccc(Cl)cc1 505834160 RTXZEZMVSMDBQS-KRWDZBQOSA-N 446.757 5.150 30 20 IKED C=CCN(C(=O)c1cc(C)nc2ccc(Br)cc12)c1nc2c(s1)CCCC2 508769612 PKLCSSFLYXQKSP-UHFFFAOYSA-N 442.382 5.474 30 20 IKED N#C[C@@H](C(=O)c1ccccc1CSc1nc2ccccc2o1)c1nc2ccccc2o1 510598381 NKUDISZXMDEWCE-KRWDZBQOSA-N 425.469 5.751 30 20 IKED Cc1c(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cnn1C1CCCCC1 511638206 FQHPANMIIVBTBH-RUZDIDTESA-N 428.536 5.270 30 20 IKED N#C[C@H](C(=O)c1ccccc1OCc1ccccc1Cl)c1ccc(C(F)(F)F)cn1 513214174 LICLQFXAPUQENE-KRWDZBQOSA-N 430.813 5.823 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCn3cccc3[C@H]2c2ccccc2)c1 513468801 KLTNHYWMGWBSIE-HHHXNRCGSA-N 433.511 5.184 30 20 IKED CC(C)Oc1ccccc1[C@@H](C)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 515473272 CFJGEWMDOZOWAU-GOSISDBHSA-N 442.519 5.480 30 20 IKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 515693021 OGWRCIAJITWHGX-UHFFFAOYSA-N 446.450 5.151 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)N(c1cccc(Cl)c1)c1nc2ccccc2s1 516470044 WJQAMLYYFVIDTE-OAHLLOKOSA-N 433.920 5.954 30 20 IKED CCN(CC)[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccsc1 518782257 QWOOSIFAJLPMIN-QHCPKHFHSA-N 449.645 5.725 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc2ccccc2n1C(F)F 519413427 VKAIJRVMEUVKNG-CYBMUJFWSA-N 432.521 5.556 30 20 IKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)N(C)Cc1cccc(F)c1 521733802 LEJCJIAQTZAXMO-AWEZNQCLSA-N 439.478 5.309 30 20 IKED COc1ccc(CN[C@H]2CCOc3c(-c4ccccc4)cccc32)cc1OCCCC#N 522212416 ZYIZTGDSLAWVNG-DEOSSOPVSA-N 428.532 5.658 30 20 IKED COc1cc(CSc2nnc(C)n2-c2ccccc2)ccc1OCc1cccc(C#N)c1 523878563 YZTACHVTUMDACW-UHFFFAOYSA-N 442.544 5.327 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cnc(-c3ccccc3)s2)cc1C 536655220 VQEYOIKBOAWWFG-UHFFFAOYSA-N 427.533 5.456 30 20 IKED CC(=O)[C@H](C)CCCCC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 537478844 XUNFEYZUVZIXBQ-CYBMUJFWSA-N 437.487 5.348 30 20 IKED C[C@@H](Cc1cc(Br)ccc1F)NCc1cn(CCC#N)nc1-c1ccccc1 538003524 YROQFTWRPWMCFO-INIZCTEOSA-N 441.348 5.086 30 20 IKED C[C@H](NC(=O)NCc1ccc(-c2ccccc2C#N)cc1)c1nc2ccccc2n1C(F)F 540270823 KKDCVSUSOGGSPN-INIZCTEOSA-N 445.473 5.530 30 20 IKED CC(=O)Nc1cccc(NC(=O)[C@H](Sc2ccc(C#N)c(C(F)(F)F)c2)C(C)C)c1 542002624 FGTOUFNTMRTNFJ-LJQANCHMSA-N 435.471 5.291 30 20 IKED N#Cc1ccc(CN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)C2CC2)cc1 543224734 GPZBGNJJSSXMCJ-UHFFFAOYSA-N 439.302 5.252 30 20 IKED COc1cc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)ccc1OC1CCCC1 543348528 CCXCIHBZSQPOEG-GOSISDBHSA-N 433.552 5.323 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](c2ccccc2OC)C1 549666754 CHEARNSLTAJXHX-MOPGFXCFSA-N 436.531 5.136 30 20 IKED C[C@@H](Nc1ccc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cc1)c1ccccc1 552895365 KKFFSFPTKJQYDF-WIYYLYMNSA-N 428.511 5.335 30 20 IKED CC(C)(C)c1cc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)c(C#N)s1 553049742 JIPRKTLNXCCESV-UHFFFAOYSA-N 430.576 5.064 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(F)cc1OCC(F)(F)F 554442582 FWCRVXRAYAAJRS-UHFFFAOYSA-N 428.430 5.154 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC(c2ncccc2Cl)CC1 558995851 PNPAQNKURMJYFP-UHFFFAOYSA-N 437.975 5.003 30 20 IKED Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N 559819438 VTZWWDPHIOKASX-INIZCTEOSA-N 438.597 5.182 30 20 IKED Cc1ccc(NC(=O)C(=O)N[C@H](CCCC#N)c2ccccc2)c(OCc2ccccc2)c1 560282838 JZOKLVUKJLQWLL-HSZRJFAPSA-N 441.531 5.064 30 20 IKED CCCc1c(NC(=O)c2cccc(C(=O)Nc3ccccc3)c2)cnn1-c1cccc(C#N)c1 560660277 YAYZTUWXWOSKFO-UHFFFAOYSA-N 449.514 5.201 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCc1ncc(-c2ccccc2Cl)o1 561240800 QUXPIWBDNBJUAO-UHFFFAOYSA-N 426.948 5.310 30 20 IKED CN(C(=O)c1ccc(Cl)c(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1)c1ccccc1 568079010 XGZGWQFTAAFLIM-UHFFFAOYSA-N 447.897 5.298 30 20 IKED FC(F)(c1ccc(Cl)c(Cl)c1)c1noc(CCOCC(F)(F)C(F)(F)F)n1 577101971 LFDWEKYCRHFJGG-UHFFFAOYSA-N 441.130 5.273 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@H](c2ccccc2)c2ccccc21 582944566 ZAZPQNXXOGQKHW-WIYYLYMNSA-N 441.556 5.198 30 20 IKED C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(Oc2cccnc2)cc1 584831822 LQVRUSKHCVNPTP-SFHVURJKSA-N 439.471 5.409 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3Cc4cccc(Br)c4C3)cc2)ccn1 589363266 HVPDGZMDQZNSJI-UHFFFAOYSA-N 435.281 5.056 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CC[C@H](Oc4ccccc4Cl)C3)cc2)ccn1 589365007 FOWAUFHSAISMBM-FQEVSTJZSA-N 434.883 5.084 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 599517308 AXXDSYSYDFRMLW-IAGOWNOFSA-N 449.366 5.865 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(-n4cnc5ccccc54)cc3)s2)cc1 602228416 CTWKREYBTYTNKG-UHFFFAOYSA-N 435.512 5.197 30 20 IKED C[C@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C2CC2)o1 603648255 DUFJMVPEZHBFQK-BTYIYWSLSA-N 432.549 5.518 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C)n(-c2nccs2)c1C 604103528 WWNREDACAPXBIQ-UHFFFAOYSA-N 429.505 5.170 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC 604364712 LXRDCCZDAKXXBW-UHFFFAOYSA-N 431.492 5.340 30 20 IKED O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 605016902 WPVYCFIBJSWEDZ-UHFFFAOYSA-N 448.329 5.263 30 20 IKED CN(C)c1ccc(NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c(C(F)(F)F)c1 605029452 LKTPFOGNAWFCIL-UHFFFAOYSA-N 437.306 5.120 30 20 IKED CC[C@@H](Nc1ccccc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 609240801 QXDRQETXNVNCDO-LJQANCHMSA-N 444.482 5.454 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1sc(-c2ccc(C)cc2)nc1C 609355090 KNKVTXAZHVJIEN-LJQANCHMSA-N 448.592 5.218 30 20 IKED N#C[C@H](NC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1cccc(Cl)c1Cl 609414061 BXXLGDNQCMCWCL-HNNXBMFYSA-N 446.725 5.100 30 20 IKED COc1ccccc1CN(C[C@H]1CCCO1)C(=O)Nc1ccccc1S[C@H](C)CC#N 609434796 QTPLLKUOSSBMAZ-UYAOXDASSA-N 439.581 5.303 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 609435329 HFJRXDOQZPXMBJ-OXQOHEQNSA-N 447.526 6.859 30 20 IKED CCOc1ccc(-n2c(S[C@H](C)c3ccc(C#N)cc3)nnc2-c2ccncc2)cc1 609813792 RVAKGCHGOLHGHO-QGZVFWFLSA-N 427.533 5.453 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 610019269 KEULHLXLVOXLQJ-SJBKTWHCSA-N 436.625 5.598 30 20 IKED Cc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)ccc1NC(=O)CC(C)C 610224057 HHBZVXVJJRZTQJ-UHFFFAOYSA-N 428.492 5.291 30 20 IKED N#C[C@H](C(=O)c1ccc2c(c1)OCCCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 613347071 WNNZEMOPPHZMNB-OAHLLOKOSA-N 445.327 5.768 30 20 IKED C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 615846199 WWOZMNHEWHRDEP-IBGZPJMESA-N 431.511 5.537 30 20 IKED C=CCN(C(=O)Cc1sc(C)nc1-c1cccs1)c1nc(-c2ccccc2)cs1 641902177 BGPKZFOAUFEWDH-UHFFFAOYSA-N 437.615 6.065 30 20 IKED O=C(CCOc1ccc(F)c(Cl)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642545669 AJBUMWDLXSZWLH-NXEZZACHSA-N 435.767 5.274 30 20 IKED CSc1cccc(F)c1CNC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 672558006 JCJXGJVVYQHAJK-NXEZZACHSA-N 432.405 5.256 30 20 IKED O=C(NCC(F)(F)c1ccc(Cl)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 672576542 HNLSHIWMHZDOLJ-GHMZBOCLSA-N 438.746 5.204 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674551030 RUBRWZOTANTUFZ-OCAPTIKFSA-N 428.682 5.563 30 20 IKED N#C[C@@H](C(=O)c1sc(-c2ccccc2)nc1C(F)F)c1nc2cc(Cl)ccc2s1 677792263 ZSFZOEWYZYUOCW-LBPRGKRZSA-N 445.903 6.501 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 685066294 RPAOREFVNZPSDG-NHCUHLMSSA-N 448.548 5.142 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3ccccc3C(=O)c3cccs3)cc2)ccn1 685894824 BGLRQBCVMNAZHK-UHFFFAOYSA-N 425.469 5.290 30 20 IKED COc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)cc1NC(C)=O 726428674 NXRHNZGFJAJXAK-ZRDIBKRKSA-N 448.906 5.455 30 20 IKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc3c(c2)CCO3)cc1 726571302 RJXFZDPSDROZTM-UHFFFAOYSA-O 448.955 5.066 30 20 IKED N#CCOc1ccc(CNC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)cc1 727678648 UMCDTMLQEVKKDZ-UHFFFAOYSA-N 427.479 5.125 30 20 IKED C#Cc1cccc(N(C(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)C(C)C)c1 728247227 VGDBERGSQSSVSE-UHFFFAOYSA-N 436.964 5.999 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N(CCc3ccccc3)C3CC3)cc2F)c1 728738386 LCYFRQRNLTVTLJ-UHFFFAOYSA-N 429.495 5.515 30 20 IKED CC(C)(C)OC(=O)NC(C)(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 729319046 GHZZAJVWEQGRGL-GOSISDBHSA-N 427.932 5.237 30 20 IKED CC(C)COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 730397482 UWQNZJXGUVYVAO-QGZVFWFLSA-N 426.488 5.542 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccccc2F)o1 731068248 XDHRQXYLOLYQHH-HNNXBMFYSA-N 438.480 5.275 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC[C@@H](O)c3ccccc3C(F)(F)F)cc2)cc1 732278933 IGHYQEQASBFAPY-JOCHJYFZSA-N 440.421 5.027 30 20 IKED CSc1ccc(NC(=O)COC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 732379002 DERIMDFCACCULN-UHFFFAOYSA-N 432.501 5.062 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H](C)Oc2ccccc2Br)cc1 732901429 RPFNFMZDVOERFT-HDMKZQKVSA-N 443.341 5.077 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](c2oc3ccccc3c2C)C(C)C)ccc1OC 733650056 IRWKQXMODXYQJM-CYFREDJKSA-N 449.551 5.627 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccnc3SC(F)(F)F)n2)cc1 733682578 NUOPSPGATXWXNL-CQSZACIVSA-N 435.452 5.316 30 20 IKED N#CCOc1ccc(Cl)cc1COC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 735333258 WEFKNWWTCOAODG-UHFFFAOYSA-N 440.497 5.608 30 20 IKED Cn1nc(-c2ccccc2)c(C=NNc2c(F)cc(F)cc2Br)c1Cl 741767105 DGYBGLXSQXHYFK-UHFFFAOYSA-N 425.664 5.227 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3ccccc3OCc3ccccc3Cl)o2)cc1 741835321 KNTKLCIKDAUVQP-UHFFFAOYSA-N 445.862 5.198 30 20 IKED COc1cc(/C=C2/CCc3cc(C#N)ccc3C2=O)cc(Br)c1OC(F)F 742436590 CKOZDWLIMMEIKQ-AUWJEWJLSA-N 434.236 5.143 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1 744036054 VEKVQLRCDYHHFH-FVQBIDKESA-N 449.309 6.375 30 20 IKED N#Cc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1C(F)(F)F 744371703 ZLPPKMUCTHGUCX-NRFANRHFSA-N 436.389 5.284 30 20 IKED N#C[C@H](C(=O)COCCc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 747022405 YEYNPLLWMINZNX-QGZVFWFLSA-N 431.344 5.552 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)n1 747193717 NWIUZOLKOIFJTP-HNNXBMFYSA-N 435.496 5.828 30 20 IKED N#CCCCCS(=O)(=O)Oc1ccc(Sc2ccnc3cc(Cl)ccc23)cc1 749295296 LJKGGHRMEUECDW-UHFFFAOYSA-N 432.954 5.442 30 20 IKED C[C@@H](C#N)CN(Cn1nc(Nc2ccc(SC(F)F)cc2)sc1=S)C1CC1 753976158 FPMBWDCZJLBHCV-NSHDSACASA-N 427.571 5.314 30 20 IKED CCCN(C(=O)Nc1ccc(F)cc1OCC#N)[C@H](C)c1ccccc1Br 761665717 UDYZKLJGKLNJKT-CQSZACIVSA-N 434.309 5.496 30 20 IKED N#Cc1cccc(NC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)Cl)c1 764504825 SZRWPJDCFYIZDY-UHFFFAOYSA-N 440.759 5.303 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(O)(c2ccccc2Cl)CC1 765621102 LEWGGRKTSQOQAQ-UHFFFAOYSA-N 432.907 5.128 30 20 IKED COc1cccc(C(=O)/C(=C\c2nc3ccc(Br)cc3s2)c2ncc[nH]2)c1 773141278 XLIRBPBHCXPRCF-RVDMUPIBSA-N 440.322 5.214 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3NC(=O)OC(C)(C)C)n2)cc1 774061435 DRIAYFIBOMFPOL-GOSISDBHSA-N 449.532 5.656 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)O[C@@H](C#N)Cc4ccc(F)cc4F)cc3)o2)cc1 774318537 VRMIMYYBRARRPJ-OAQYLSRUSA-N 445.425 5.282 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F 775625427 NRBAQJUVGIZZON-UHFFFAOYSA-N 439.940 6.108 30 20 IKED C[C@H](OC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)c1ccccc1NC(=O)c1ccccc1 777315374 YHQYMYGZGHKXND-UQBPGWFLSA-N 439.515 5.084 30 20 IKED Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3ccccc3O[C@@H](C)C#N)[C@@H]2c2cccs2)cc1 780150612 VVHJRZZBTNMLCH-WVMBUTMQSA-N 445.544 5.080 30 20 IKED COc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c(Cl)c1 780314639 JYXUYUNCFPLMFO-AWEZNQCLSA-N 433.316 5.451 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 780670755 NUUWXKRUHPETFD-OALUTQOASA-N 429.520 5.878 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N(C)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 780678154 RDJPAAHIZUSYTD-ZTNFWEORSA-N 431.458 5.796 30 20 IKED C[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 782237590 MJNADIJGNZSKDE-LURJTMIESA-N 440.315 5.392 30 20 IKED CCOc1ccc(C(C)(C)C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1OCC 783379841 VUKSMSXHUGKFNN-INIZCTEOSA-N 426.513 5.387 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)/C=C/c1ccc2[nH]ccc2c1)c1ccc(Cl)cc1Cl 787054154 UFWMPFHJVNZOAH-OQFFQARESA-N 426.303 5.074 30 20 IKED C#CCn1ccc(CN(CC)[C@H](C)c2nc3cc(Cl)ccc3n2Cc2ccccc2)n1 789332819 XDKBMGKLGFATFW-LJQANCHMSA-N 431.971 5.151 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CC=C(c3cccc(Cl)c3)CC2)ccc1OC 793011070 FVTURTQFTIOSND-OAQYLSRUSA-N 439.943 5.028 30 20 IKED CC[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(Br)cc1C(F)(F)F 794812569 XLOVIQALFNJVIN-GOSISDBHSA-N 427.264 5.611 30 20 IKED C[C@@H](OC(=O)C[C@H](CC#N)c1ccccc1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 795980937 AHFAARLCSVCKFI-OCCSQVGLSA-N 439.726 5.605 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 796661274 IZQBWFLDZAGFQI-SFHVURJKSA-N 434.521 5.351 30 20 IKED Cc1nn(C(C)C)c(C)c1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 796766647 XIBSWERASDZXFS-KRWDZBQOSA-N 447.391 5.930 30 20 IKED N#CC1(CCCOC(=O)c2ccccc2C(=O)c2ccc(Cl)c(Cl)c2)CCOCC1 800161969 AYLLVIOCZYLSKT-UHFFFAOYSA-N 446.330 5.482 30 20 IKED N#C[C@@H](C(=O)Cc1cccc(OCc2cccc(Cl)c2)c1)c1cc(C(F)(F)F)ccn1 813215347 XBXBELCVMRDARF-HXUWFJFHSA-N 444.840 5.752 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1cc(Cl)ccc1Cl)[n+]1ccc(C(C)(C)C)cc1 839407307 CEHWWPDLYNDXNA-UHFFFAOYSA-O 436.428 5.955 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 915085055 DXSALIRSKBXQIE-AREMUKBSSA-N 449.485 5.986 30 20 IKED CSc1cccc(N2C[C@H](C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2=O)c1 915086162 HWSIFLXMUNGWDE-HYBUGGRVSA-N 441.556 5.056 30 20 IKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1C1CCCC1 916216784 YSXORBPHNVUZSC-FQEVSTJZSA-N 425.529 5.037 30 20 IKED Sc1nnc(-c2cccs2)n1N=Cc1cn(Cc2ccccc2)nc1-c1cccs1 916314047 LKSTYKHBKATFGJ-UHFFFAOYSA-N 448.602 5.151 30 20 IKED COc1ccc2cc(/C=C\C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)ccc2c1 916928319 YAFWCMDFMGPUMF-FOTOIKQHSA-N 439.298 5.516 30 20 IKED CCOc1cccc2c1OCC(C(=O)[C@@H](C#N)c1nc(-c3ccc(Cl)cc3)cs1)=C2 916975675 DHEBBRLINDKHPZ-GOSISDBHSA-N 436.920 5.514 30 20 IKED CC(C)(C)c1noc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1 916996607 OEEKTGDNWLWONT-ZDUSSCGKSA-N 449.363 5.606 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)c(C)n1-c1ccccc1Br 917510077 LEFFJGRSLMSJDI-INIZCTEOSA-N 434.293 5.488 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(CC(C)C)cc2)cs1 917564172 YQKCWVKQAFSOIS-RAXLEYEMSA-N 438.980 6.576 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(Cl)cc3)n2)cc1 920138168 BEBXWKLQJJEPPO-IBGZPJMESA-N 426.925 5.508 30 20 IKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)cc3Cl)CCC2)cc1 1787889244 PGPHFKAGLUTFSP-UHFFFAOYSA-N 449.860 5.410 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C4CCSCC4)cc3)CCC2)c1 1792354008 IXCMOGWZTLUWFV-GOSISDBHSA-N 447.604 5.205 30 20 IKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)CCCCCC(C)(C)C)[C@@H]2c2cccnc2)C1 1812804982 YKAWFPDFUXQCCB-URXFXBBRSA-N 425.617 5.050 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C(C)=C/c2ccc(C)o2)[nH]n1 1814441645 PFDGOYRYOUKVDD-QGUORLBXSA-N 438.572 5.399 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ccoc23)[nH]n1 1814828876 WFFUYFXKHJNORZ-OAQYLSRUSA-N 432.524 5.230 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ccccc23)[nH]n1 1819306071 WDCGCQFJXKQLIB-RDPSFJRHSA-N 442.563 5.637 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sccc2OCC)CC1 1823644458 ZFHWNZMXSFPOSS-NRFANRHFSA-N 444.641 5.149 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](C)c3ccc(Cl)cc3)CC2)C1 1823698134 JFGRDUCVTSDLPP-WZONZLPQSA-N 429.004 5.029 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](CC)c2ccccc2)CC1 1826316794 NEGBYYOZUASKQZ-FCHUYYIVSA-N 432.555 5.011 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3cccnc23)CC1 1828827949 ADCIBTADJVOKDT-ILBGXUMGSA-N 445.607 5.237 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@]2(F)CCCC=C2F)CC1 1832977287 BBANIQSLCGYREY-BWKNWUBXSA-N 434.571 5.120 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)c1cc3c(Cl)cccc3s1)C2 1841319127 HUDNLKCQZSSMFB-UHFFFAOYSA-N 428.985 5.140 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2cc(C)cc(C)c2)cc1 10172557 SQVNFQMXKQZQHK-UHFFFAOYSA-O 431.625 6.130 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc(C(C)(C)C)cc2)c(C)s1 11171618 OLVRQEOPPXBYLB-UHFFFAOYSA-O 441.617 6.140 30 20 IKED C=CCN(C(=O)c1cc(C)nc2ccccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14724335 PNEOZWKDFZOEQN-UHFFFAOYSA-N 430.489 5.408 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccc(N(C)C)cc2)cc1F 14872461 ZJPILMYNGQZMJQ-UHFFFAOYSA-O 448.996 5.253 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 22715363 GPOACZGFUUHIAV-HUUCEWRRSA-N 444.963 5.282 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(SC)cc2)nc2sc(C)c(C)c2c1=O 23405067 UJWTZZZTHJFOSR-AWEZNQCLSA-N 445.635 5.102 30 20 IKED C=CCN(C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1nc2c(s1)CCCC2 33155456 VFKLOXPHMGZFHT-UHFFFAOYSA-N 442.972 5.267 30 20 IKED Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 59799128 KBMSBUXHTMLRKX-UHFFFAOYSA-N 435.527 5.678 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 60030483 DQGZJNLDHGORKX-GOSISDBHSA-N 431.536 5.105 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1ncc(-c2ccc(F)cc2)o1 303250435 BXAILEPZPVDYHX-AWEZNQCLSA-N 427.526 5.463 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)N(CCC#N)CC1CC1 428880284 JQEKQSYMIXYGJX-UHFFFAOYSA-N 433.531 5.889 30 20 IKED CCN(C(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)[C@@H](C)c1ccc(C#N)cc1 430669611 UBRQILKXMFIGPE-SFHVURJKSA-N 437.499 5.415 30 20 IKED CC(C)(C)c1ccccc1NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 437350888 ZIUKGCLSPKTPQM-UHFFFAOYSA-N 427.504 5.012 30 20 IKED CN(CC[C@@H]1CCCCN1C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 437954729 MZTZOLMJOMOERG-NRFANRHFSA-N 440.975 5.129 30 20 IKED Cc1noc(C)c1CNC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 438533952 HIHGHCBHFRBZPW-UHFFFAOYSA-N 430.386 5.296 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(F)c(Br)cc1Cl 439622156 ZVHJJYOSZAHDTD-ACJLOTCBSA-N 436.712 5.545 30 20 IKED CCCc1c(NC(=O)N2CCSC[C@@H]2c2ccccc2)cnn1-c1cccc(C#N)c1 439701555 KIAXSMPBZZDURP-HSZRJFAPSA-N 431.565 5.018 30 20 IKED CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N 441237004 VOWKFYVSKVCNFT-FPOVZHCZSA-N 437.609 5.055 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N[C@@H](C)c2nc3ccccc3n2C(F)F)c1 444660506 RZAOBNNAWYNDPN-ZWKOTPCHSA-N 439.510 5.034 30 20 IKED N#C[C@H](NC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1cccc(C(F)(F)F)c1 446008751 CFNYRNRAUJGUOF-INIZCTEOSA-N 430.323 5.276 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)N1CC(c2ccccc2F)C1 464346591 NJGXLLCQYOHSSC-KRWDZBQOSA-N 434.355 5.647 30 20 IKED Cc1nc(-c2ccc(CCNC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)s2)cs1 465474839 PWJTXWVQDHUOJR-TZIWHRDSSA-N 436.606 5.204 30 20 IKED N#CCCCn1cc(C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)c2ccccc21 468912285 IYNFELOSUMKHCP-UHFFFAOYSA-N 447.542 5.273 30 20 IKED COc1cc(OC)c([C@@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1Cl 469144583 BYUTYQVUFAEEIR-OAHLLOKOSA-N 427.932 5.113 30 20 IKED CC(C)(C)C1CCC(C#N)(NC(=O)c2c(Cl)cccc2I)CC1 470183820 DXSAEGQUUCEAFH-UHFFFAOYSA-N 444.744 5.173 30 20 IKED N#CCCN(C(=O)CNc1ccccc1NC(=O)c1cccs1)c1cccc(Cl)c1 470527476 HHUXTVWLRVIDOM-UHFFFAOYSA-N 438.940 5.013 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCC(=Cc4ccccc4F)CC3)ccc21 470533402 SZDUBRPTTPTZJQ-UHFFFAOYSA-N 446.526 5.120 30 20 IKED Cc1c(NC(=O)c2ccccc2Sc2ccccc2C#N)cccc1NC(=O)N(C)C 471365246 FKPWIFSPWKLVNP-UHFFFAOYSA-N 430.533 5.364 30 20 IKED Cc1cc([C@@H](NCc2nnc(-c3ccc(C#N)cc3)o2)c2ccccc2Cl)ccc1F 471659396 QLTKTMMIPMQDLR-HSZRJFAPSA-N 432.886 5.588 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1 472871792 PJOOCRBLAFOYEW-PZJWPPBQSA-N 431.471 5.057 30 20 IKED CC(C)(C)c1cc(NC(=O)N(CCC#N)Cc2ccccn2)n(-c2cccc(Cl)c2)n1 473768576 XPIDCSXNXSHQPL-UHFFFAOYSA-N 436.947 5.166 30 20 IKED COc1ccc(-c2nc3c(s2)[C@H](NC(=O)C[C@H](CC#N)c2ccccc2)CCC3)cc1 475788342 BRLYAPZHRRZQHK-PZJWPPBQSA-N 431.561 5.400 30 20 IKED CN1CCC[C@H](CNC(=O)C[C@H](CC#N)c2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1 476076156 CQKYDINWQGDZOL-IMSXRSKXSA-N 443.513 5.292 30 20 IKED CC(C)(C#N)CCCS(=O)(=O)Cc1ccc(Oc2cccc(Cl)c2Cl)cc1 476919304 ZNQVEWKKXCGDNZ-UHFFFAOYSA-N 426.365 6.030 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(-c2nc(C3CC3)no2)cc1C 480271707 SMKWKUYMTBHOSO-UHFFFAOYSA-N 434.544 5.310 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CSc2nccc3ccccc23)cc1 480506588 PWJARLKIRGBWDK-UHFFFAOYSA-N 439.540 5.611 30 20 IKED C=C(C)Cn1c(SCC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)nnc1-c1ccco1 481765201 FPLVBXICTSCMQK-GOSISDBHSA-N 436.581 5.034 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1c[nH]c2cc(Br)ccc12 481792298 FBVVZHQZEIKWDA-ZDUSSCGKSA-N 428.355 5.363 30 20 IKED CCc1cc(O)nc(-c2cccc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)c2)n1 482908300 OPGKGGGZQDQZFT-UHFFFAOYSA-N 436.471 5.328 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NC3(c4ccc(Cl)cc4)CCOCC3)c2)cc1 483557136 XUOQRRZIIQYVDL-UHFFFAOYSA-N 432.907 5.440 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1CCC(C(F)F)CC1 487028764 OQXOINYQHGFXSN-UHFFFAOYSA-N 433.524 5.142 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccc(C)cc1 489646035 YHWINDCWBWKUJW-LJQANCHMSA-N 434.609 5.991 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3C[C@H]4CCCC[C@H]4C3)s2)c(C(F)(F)F)c1 496368753 ZLPKEPVHKUSDEW-IYBDPMFKSA-N 434.487 5.278 30 20 IKED C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1ccc(Sc2ccccc2C#N)cc1 500162058 FSBGUPBQYAMVSK-LJQANCHMSA-N 443.572 5.001 30 20 IKED N#C[C@H](C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1nc(-c2ccccc2)cs1 501341102 NNCOMBKJTHJSQI-MRXNPFEDSA-N 445.935 5.412 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@](F)(c3cc(C)cc(F)c3)C2)cc1 502175441 VZHCEBUPDCJGIU-VWLOTQADSA-N 439.506 5.051 30 20 IKED COCCOc1ccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C)c1 502233180 NBASAOKDIYSIBA-QFIPXVFZSA-N 449.938 5.973 30 20 IKED Cc1ccc(C[C@@H]2CCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 502655823 SQTQJSRQCWMDCH-VWLOTQADSA-N 438.531 5.358 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(NC(=O)c4cccnc4)c3)n2)cc1 503506906 ROQAODNBUFWWNS-OAQYLSRUSA-N 438.512 5.256 30 20 IKED Cc1noc(C)c1COc1cccc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)c1 505541180 VYAJCEPYPCDRFC-LJQANCHMSA-N 430.291 5.172 30 20 IKED C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1 505935465 LZCHEAAEXCTOAY-RTWAWAEBSA-N 433.621 5.436 30 20 IKED C[C@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1ccc(NC(=O)Nc2ccccc2)cc1 506496499 RYGMLRCDYJBKLH-KRWDZBQOSA-N 444.510 5.496 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H](COc2ccccc2)C1 506955093 SUDBJTJKKGXDRK-OAQYLSRUSA-N 427.504 5.592 30 20 IKED CCc1cccc2c1OCC[C@@H]2NC(=O)c1ccccc1SCc1ccc(C#N)cc1 507005130 QKZTXCIJYLZPBA-QHCPKHFHSA-N 428.557 5.667 30 20 IKED COc1ccc(-n2c(SC[C@@H](C#N)CCC#N)nnc2-c2ccc(C(C)(C)C)cc2)cc1 508388418 SORIWSLGPSEEFI-GOSISDBHSA-N 445.592 5.776 30 20 IKED C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(OCC(C)C)CC1 508467364 YBWXNXDIZHYDOW-UHFFFAOYSA-N 426.605 5.116 30 20 IKED C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(OC2CCC(C)CC2)CC1 508905905 BTPBOELHPGSECU-UHFFFAOYSA-N 433.600 5.100 30 20 IKED CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 512132478 SHBPNDLUMFECNJ-GCJKJVERSA-N 449.620 5.245 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 512522323 RYASQLIGWJEIFA-OAHLLOKOSA-N 434.371 5.960 30 20 IKED Cc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1NC(=O)c1ccccc1F 514501967 QUWVCXBMJZJCSP-UHFFFAOYSA-N 447.535 5.841 30 20 IKED C[C@H](c1ccccc1)n1c(SCC(=O)Nc2cccc(C#N)c2)nnc1-c1ccccc1 515572518 IOWQSIMPYRTMHH-GOSISDBHSA-N 439.544 5.157 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 515797206 LQIHQMTWJPPJDD-UHFFFAOYSA-N 441.531 5.560 30 20 IKED Cc1ccc(-c2ccncc2)cc1NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 516597677 IEDLBBASQXZHFF-UHFFFAOYSA-N 444.966 5.827 30 20 IKED CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 517313189 STAWTQNUDSFPNK-UHFFFAOYSA-N 429.568 5.755 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc4nc(C(F)F)[nH]c4c3)cc2F)c1 517336340 OVXADODSRVBOMA-UHFFFAOYSA-N 436.393 5.343 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccc(N2CCc3ccccc32)cc1 517535072 ZVGNUOHMYFRFIR-IBGZPJMESA-N 442.588 5.826 30 20 IKED CC(C)c1c(C(=O)Nc2ccccc2SC[C@H](C)C#N)cnn1-c1ccc(Cl)cc1 518151782 XDTQRFOIODTGEX-MRXNPFEDSA-N 438.984 6.153 30 20 IKED Cc1nc(-c2ccc(CNC(=O)c3ccccc3Sc3ccccc3C#N)cc2)cs1 519090118 SQFMOLUDLPDIFT-UHFFFAOYSA-N 441.581 6.071 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c3c(C)noc3n2)c(C)o1 519423895 JKABBIGTXYLLAL-ZDUSSCGKSA-N 446.532 5.912 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc3cccnc23)cc1Cl 520135032 KPLCTYBLIXNLAX-QFIPXVFZSA-N 426.907 5.865 30 20 IKED Cc1c(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cccc1-c1ncco1 521013258 WAMOGSSMCHBAFF-UHFFFAOYSA-N 429.863 6.220 30 20 IKED C[C@H](C#N)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 521534750 XYMUJTDHPSILJZ-HNMKQIAWSA-N 440.503 5.252 30 20 IKED CSc1ccc(NC(=O)[C@@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 521734965 UAWPVXAJUZFAIJ-CYBMUJFWSA-N 439.528 5.872 30 20 IKED Cc1ccc(C)c(OC2CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)CC2)c1 522311002 GTAOEVYQCYHUEW-UHFFFAOYSA-N 440.543 5.438 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)Cc2ccc(C(F)(F)F)cc2)cc1 524152476 FLZXITREJRFACZ-KRWDZBQOSA-N 445.485 5.272 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)cc1 524679678 SEILYDFHAKUMFR-UHFFFAOYSA-N 447.482 5.593 30 20 IKED CCn1cc(CN(C)C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)cn1 524712577 SWKLDJHBRVVZHN-UHFFFAOYSA-N 443.429 5.250 30 20 IKED C[C@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524999213 DMBPGMUYYOJORM-SFHVURJKSA-N 449.938 5.206 30 20 IKED N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC(CCc3cccc(C(F)(F)F)c3)CC2)cc1 527448578 OOTYUYCBAZKBLR-JOCHJYFZSA-N 439.481 5.131 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)N[C@@H](C#N)c3ccc(OC(F)(F)F)cc3)c(C)c2c1 531353228 SPTQSOXHTLMCIT-IBGZPJMESA-N 444.409 5.156 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)c1cc(F)c(F)c(F)c1F)C(F)(F)F 533245534 VURQEJVHGAIGRG-GOSISDBHSA-N 445.338 5.079 30 20 IKED CC(=O)N(c1nc(CN(C)Cc2cccc(C#N)c2)cs1)c1c(C)cc(C)cc1Cl 533778554 ZHYOBFDVLCZJJY-UHFFFAOYSA-N 438.984 5.602 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl 535350327 OEAYVMXMWPSOQV-UHFFFAOYSA-N 439.346 5.617 30 20 IKED C[C@H](C(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(C(=O)c2ccccc2)c1 535616414 JOWWOUIHCKAVSP-MOPGFXCFSA-N 428.557 6.054 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H](c2ccccc2)[C@@H]2CCOC2)cc1OCC 538967700 BQEZLFYRMAWRGA-KNQAVFIVSA-N 446.385 5.280 30 20 IKED CCCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H](c1cccnc1)c1ccc(F)cc1F 539620625 JJCPPRIAJRFUHX-XMMPIXPASA-N 431.486 5.557 30 20 IKED COc1cc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc(Br)c1O 543874928 YMGNWJYUQNVEJY-HNNXBMFYSA-N 437.337 5.553 30 20 IKED CCc1ccc([C@@H](Nc2ncc(Cl)c(C)c2C#N)c2cccc(S(C)(=O)=O)c2)cc1 544063633 ZAOPMNYFEFELSN-JOCHJYFZSA-N 439.968 5.083 30 20 IKED Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1SC[C@H](C)C#N 550706648 FFSCXVKAZQXTIR-LLVKDONJSA-N 434.315 5.170 30 20 IKED CCc1nc2ccccc2n1C1CCN(c2c(C#N)cnc3c(F)c(F)c(F)cc23)CC1 553516436 IEBFVQNSTXYIDQ-UHFFFAOYSA-N 435.453 5.277 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)N1CC[C@@H](COC(F)F)C1 554240143 XXRFUUSGRCYDQN-SECBINFHSA-N 434.377 5.156 30 20 IKED CC(C)Oc1ccc([C@H](CNC(=O)Nc2ccccc2S[C@H](C)CC#N)N(C)C)cc1 558345804 XZTRISFLIDPAJS-GCJKJVERSA-N 440.613 5.292 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(-c2cccnc2)cc1 565689593 IDPDTBIWYKBFIR-SFHVURJKSA-N 435.487 5.690 30 20 IKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 569974180 BCQRGXHMVULNHR-UHFFFAOYSA-N 434.521 5.352 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3ccnc(SCC(F)(F)F)c3)cc2)ccn1 570094415 CSVVZGJVNZBROM-UHFFFAOYSA-N 430.411 5.047 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)Nc3ccc(CCC(F)(F)F)cc3)cc2)ccn1 583964287 CMKLONINZFWKNI-UHFFFAOYSA-N 426.398 5.884 30 20 IKED C[C@@H](NC(=O)C(C)(C)c1csc(-c2c(F)cccc2Cl)n1)c1cccc(C#N)c1 589437999 NGXOYDQSVFORFF-CYBMUJFWSA-N 427.932 5.629 30 20 IKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3sc4c(c3C#N)CCCC4)c12 590780887 BQEYKUXXRHKNCU-UHFFFAOYSA-N 427.533 5.008 30 20 IKED CCOc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc(OCC)c1OCC 603621670 MFHVEPHNVISKAA-UHFFFAOYSA-N 447.491 5.194 30 20 IKED C[C@@](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)(C(=O)O)c1ccccc1 603953105 FXCBIUSOTPXTDI-DEOSSOPVSA-N 434.879 5.375 30 20 IKED Cc1cccn2cc(COc3ccccc3C(=O)Nc3cccc(OCCCC#N)c3)nc12 603972096 SRWQGGHDKWPUBI-UHFFFAOYSA-N 440.503 5.157 30 20 IKED CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1sc2c(c1C#N)CCCCCC2 603996513 UPCPOQUWSAAJQZ-FQEVSTJZSA-N 444.000 5.325 30 20 IKED Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1Cl 604003140 FTAXWEATVJVBHR-SFHVURJKSA-N 434.923 5.700 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N(CCc2ccccc2)Cc2ccncc2)o1 604563117 OXWJBLZYMWXQTN-UHFFFAOYSA-N 437.499 5.010 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)[C@H](OC)c2ccc(Cl)cc2)cc1 605915110 JRUCVYKZMZGZLX-VGSWGCGISA-N 441.959 5.052 30 20 IKED C=CCn1c(S[C@H](C)c2nc(Cc3ccccc3)no2)nc2sc(C)c(C)c2c1=O 607436579 OIJPQIKITQHWEC-OAHLLOKOSA-N 438.578 5.088 30 20 IKED COc1ccc([C@H]2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)C2)cc1 609079585 GWPHRZVFCLZSAD-QHCPKHFHSA-N 441.531 5.476 30 20 IKED N#Cc1ccc(CNC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c(F)c1 609254653 XJNYKNNGUJUZTN-UHFFFAOYSA-N 443.309 5.311 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 609298808 JHLUNDLFIWDTNG-UHFFFAOYSA-N 443.934 5.757 30 20 IKED Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cnn1-c1ccccc1F 609378618 SJOMAMAHDWSVHY-UHFFFAOYSA-N 448.445 5.597 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Oc1ccc(F)cc1Br 609428476 QCDAMUCRKZNZSB-QWHCGFSZSA-N 437.334 5.388 30 20 IKED COc1ccc2[nH]cc(C3=CCN(C(=O)Nc4ccccc4S[C@@H](C)CC#N)CC3)c2c1 609435583 ZIMNKAYGRSDMLV-KRWDZBQOSA-N 446.576 5.892 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Sc1ccccc1)c1cccc(C#N)c1 610385915 NVMLPFDFIDIUAG-OAHLLOKOSA-N 435.936 5.179 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](COc2ccccc2Cl)C1 611095368 VJAHDEWOBYLIAH-ROUUACIJSA-N 444.000 6.057 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(OCc3ccc(F)cc3)CC2)cc1 611261080 SIEJFLHGNULEIQ-UHFFFAOYSA-N 445.494 5.703 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)cc1 611896839 FORNIGACQAZYPX-UHFFFAOYSA-N 430.382 5.368 30 20 IKED Cc1ccc2nc(COc3cccc(C(=O)[C@@H](C#N)c4ccc5ccccc5n4)c3)cn2c1 613290794 LPWVKBGFXUMDJK-QHCPKHFHSA-N 432.483 5.260 30 20 IKED C=CCn1c(SCc2cccc(C(=O)NCc3ccco3)c2)nnc1-c1cccc(C)c1 614507239 BZWBTTZKJOILHL-UHFFFAOYSA-N 444.560 5.255 30 20 IKED Cn1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c(-c2ccc(Cl)s2)n1 616159238 HXMBUFRDHABHBG-UHFFFAOYSA-N 435.896 5.113 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccc(F)cc3)C3CCOCC3)cn2)c1 617269168 CEPCCBIZMVXROR-UHFFFAOYSA-N 446.482 5.098 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2ccc(Cl)cc2Cl)cc1 619342839 RTFHNJGMBBDNPI-UHFFFAOYSA-N 432.351 5.472 30 20 IKED O=C(c1cc(F)c(C(F)(F)F)c(F)c1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 683191480 GBRDCDYNOVGVQP-QMMMGPOBSA-N 444.347 5.479 30 20 IKED C=CCOc1ccc(/C=C(/Cl)c2nc(O)c3ccc(C(=O)OC)cc3n2)cc1Cl 727264895 ZKMCYYNAHCSFJN-MHWRWJLKSA-N 431.275 5.077 30 20 IKED C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H](C)Oc2ccc(CCC(C)=O)cc2)c1 728248075 DTAMIRAKAWHIEX-QFIPXVFZSA-N 425.528 5.190 30 20 IKED N#C[C@H](NC(=O)/C=C/c1nc2ccccc2s1)c1ccc(OCc2ccccc2)cc1 729369190 CUMPXHATRMPWSB-FRFYRWIFSA-N 425.513 5.270 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1Cc1ccccc1 731064847 YPOGHESKXGQMOV-IBGZPJMESA-N 444.556 5.325 30 20 IKED CC(=O)C1=C(c2ccc(C)cc2)N(CCCCCC(=O)O)C(=O)N[C@@H]1c1ccc(C)s1 731433182 DXSDXBREFJHBFG-JOCHJYFZSA-N 440.565 5.077 30 20 IKED CCCOc1nc2ccccc2cc1/C=C/C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 731774128 LQUKGLJWIAHOTM-KOEDOTQGSA-N 431.492 5.662 30 20 IKED Cc1ccsc1C(=O)Nc1ccc(OC(=O)CCCCOc2cccc(C#N)c2)cc1 732074401 VLBDIXUFQMWFBO-UHFFFAOYSA-N 434.517 5.335 30 20 IKED O=C(NCCSC(F)(F)F)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 733637539 APFDTHYBDLDUAZ-UHFFFAOYSA-N 443.344 5.406 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(OCc3cccc(F)c3)cc2)c1 733847260 YRENYHPGJGYOQS-QHCPKHFHSA-N 447.510 5.085 30 20 IKED C=C(Cl)CNC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 736239529 ZTIMYNNSYCFWCN-UHFFFAOYSA-N 434.011 5.438 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCCCC[C@@H]2c2ccco2)cc1 737316959 WPRRWKUBYHLRDL-DHIUTWEWSA-N 427.504 5.017 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(c2cccs2)CCCCC1 738705267 ZJNKXEQMRIVJKS-QGZVFWFLSA-N 442.606 5.526 30 20 IKED Cc1nn(Cc2ccccc2)c(C)c1C=NO[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 748100226 HKMMPJLLGVWFMN-KRWDZBQOSA-N 435.915 5.363 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1cccc(C(F)(F)F)c1 749102337 KLVJADXMMINXHY-UHFFFAOYSA-N 447.295 5.992 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 749391475 BASKDDIIWURALQ-UHFFFAOYSA-N 440.484 5.485 30 20 IKED Cc1nn(C(F)F)c(C)c1CC(=O)O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 750219729 UFCNFELCENKJAX-AWEZNQCLSA-N 430.295 5.303 30 20 IKED COc1ccc(CC2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)cc1 750300426 BAZZIHPDHZSCRL-MHZLTWQESA-N 439.559 5.837 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 752614132 CSSXSBVRRJARIW-DOTOQJQBSA-N 433.499 6.121 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(-n3ncc4ccccc43)cc2)c1 752791696 NZDAZIQSIBIFDE-QFIPXVFZSA-N 425.492 5.028 30 20 IKED COc1ccc(C(=O)CCCCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 760183320 KZVKFWZMEHHHRD-QGZVFWFLSA-N 447.318 5.093 30 20 IKED COc1ccccc1-c1ccc(CN(C(=O)Cc2cccc(OCC#N)c2)C(C)C)cc1 760489699 DFOSXUPFHMLCPU-UHFFFAOYSA-N 428.532 5.244 30 20 IKED C=CCn1c(-c2cccc(C)c2)nn(CNC2(c3nc(C)cs3)CCCC2)c1=S 764120813 GXCAFLJVZKHSQI-UHFFFAOYSA-N 425.627 5.357 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CCS[C@@H](C)[C@H]2c2ccccc2)c1=S 765011751 KHHPPBXWROZTFH-RXVVDRJESA-N 437.638 5.188 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)ccc1OC 770395077 NOGVNZLMUCGSPJ-GHTZIAJQSA-N 443.494 5.091 30 20 IKED Cc1sc2ncn(N=Cc3cccn3Cc3ccccc3C#N)c(=O)c2c1-c1ccccc1 780197353 LJYLBDPPEJUJFO-UHFFFAOYSA-N 449.539 5.037 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cccc(C(F)F)c2)cc1Cl 780364645 FCICBYFNCMKPRX-IBGZPJMESA-N 432.879 5.734 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1cc(Br)cs1 782229897 CVYHCHIFWWVXKN-UHFFFAOYSA-N 442.264 5.218 30 20 IKED CCOc1ccc(C(C)(C)C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1OCC 783379851 VUKSMSXHUGKFNN-MRXNPFEDSA-N 426.513 5.387 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@H](C)C[C@@H]2c2cccc(OC)c2)c1=S 784013226 VJTSVXJSSOXYII-XMSQKQJNSA-N 435.597 5.101 30 20 IKED N#Cc1cc(NC(=O)Nc2cc(-c3ccccc3)ccc2Cl)ccc1N1CCC(O)CC1 791948533 ZBGYYWYZONUVCW-UHFFFAOYSA-N 446.938 5.484 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(SCc3ccccc3C(C)(C)C#N)o2)C1 795259391 PFUPDITVQIDTSN-INIZCTEOSA-N 442.585 5.278 30 20 IKED N#CC[C@@H](CC(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1 795981608 NIJCKYLHCZJPOZ-ZDUSSCGKSA-N 425.699 5.216 30 20 IKED COc1ccc(C(=O)C[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 796795262 BVPMAASIVQIVCU-AUUYWEPGSA-N 438.936 5.557 30 20 IKED C#CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc2ccccc12 799210008 LOIPQIXCHHEVJI-QHCPKHFHSA-N 441.556 5.050 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3c(C(C)=O)oc4cc(C)ccc34)n2)cc1 805865235 WLCGEFSOYVLWBF-FQEVSTJZSA-N 444.512 5.495 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 806402279 ZCTFMFBBZMCGGY-KSSFIOAISA-N 435.471 5.318 30 20 IKED N#C[C@H](C(=O)Cc1cscc1Br)c1nc(-c2ccc(Cl)cc2)cs1 815910827 JDGNCVFUPRRAED-CYBMUJFWSA-N 437.771 5.706 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)CCc2cc(C(F)(F)F)ccc2Br)n1 815970677 HFJKKPPHTSCPJX-CYBMUJFWSA-N 445.304 5.857 30 20 IKED Cc1ccc(O[C@@H]2CCN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)C2)nc1 858060565 VQQHUEIACRZMOO-LJQANCHMSA-N 433.895 5.001 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3c(C)nc4c(c(C)nn4C)c3C)n2)cc1 915100309 PARZCCOUEAJQTJ-FQEVSTJZSA-N 443.576 5.135 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSc1nc2ccccc2s1 915860386 ULUUEWQKFJQFOK-UHFFFAOYSA-N 432.530 5.395 30 20 IKED CC(=NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1)c1nc(C)sc1C 916317048 XHNMZUDEEQBAOJ-UHFFFAOYSA-N 427.595 5.552 30 20 IKED Cn1c([C@@H](C#N)C(=O)/C(=C\c2ccc(Cl)cc2)c2ccc(F)cc2)nc2ccccc21 916627363 PELOPCOLRYKCMI-URBQWANRSA-N 429.882 5.783 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)c1 916896960 RHZJFTQXLBXILG-LJQANCHMSA-N 448.935 5.318 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)c1 916899474 SLRYAEKCKWRGCA-OAQYLSRUSA-N 446.938 5.064 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(Cl)c(OCC)c(OC)c2)cc1 916912618 BZHYCDKNBHGUQO-GOSISDBHSA-N 428.916 5.051 30 20 IKED CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3sc4ccccc4c3s2)cc1 916942006 FVBQUOLPOQDGQP-INIZCTEOSA-N 448.525 5.254 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2cccc(Br)c2)cc1 916955073 MDNTXUNPJLTSDC-YWZLYKJASA-N 427.342 5.243 30 20 IKED C[C@H](NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F 919920360 TYHKASAVKUTJAY-HBNTYKKESA-N 436.318 5.539 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2nc3ccccc3n2C(F)F)cc1C 920839611 ZEGRSVBQRHPPDJ-UHFFFAOYSA-N 449.461 5.182 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ccoc3C(F)(F)F)cc2)CCC1)C(F)(F)F 1788727663 XPYFFGBICLZRHR-UHFFFAOYSA-N 446.347 5.165 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)CS[C@H]3CCCCO3)cc2)CCC1 1789543634 KOYWIMYYFVRYLX-QFIPXVFZSA-N 444.641 5.373 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)C[C@@H]4C[C@@H]5CC[C@H]4C5)cc3)CCC2)cc1 1791325353 HLZZWDGWAKNAKY-PUHATCMVSA-N 441.575 5.327 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc(CCCCC)s1)C2 1792572559 CSJZJUWQFKOUTP-REPLKXPHSA-N 431.646 5.120 30 20 IKED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cc4c(Cl)cncc4s3)C2)CC1 1810253347 IYZAMOOZCURUMI-INIZCTEOSA-N 446.016 5.007 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2F)[nH]n1 1819301915 VNKDDRLCZCDDPG-OXJNMPFZSA-N 444.938 5.277 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(Cl)c2)[nH]n1 1819307105 ALRMNGZRXHNCJY-AZUAARDMSA-N 426.948 5.137 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](CC)CC2)[nH]n1 1819310064 OUODALGQHHKVPS-XWUOBKMESA-N 426.605 5.387 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3cc[nH]c23)[nH]n1 1819554594 JVVJIHAVJCMIJM-FQEVSTJZSA-N 433.556 5.189 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3[nH]ccc3s2)[nH]n1 1819554866 RSZZAMWWMRULKC-KRWDZBQOSA-N 439.585 5.251 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1oc3ccccc3c1C)CC2 1819599551 IJCMVVZIAJIPJM-DLBZAZTESA-N 449.576 5.192 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)ccc2F)CC1 1829070428 IZRVWQHZQCPTMR-HSZRJFAPSA-N 444.591 5.060 30 20 IKED Cc1cc(Cl)ccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1 1829950723 MGYOPHLFNMFUBJ-DEOSSOPVSA-N 449.982 5.067 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc(C(=O)O)cc1)C(=O)c1ccccc1 13216651 JYVHDFWUPTVIBR-HAVVHWLPSA-N 427.500 5.415 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)c1 15248130 MUCFXNQQXJBAHN-UHFFFAOYSA-O 431.459 5.232 30 20 IKED N#CCc1ccc(OC[C@@H](O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1 24095931 RNTVXPQJSOKHKV-HXUWFJFHSA-N 445.519 5.034 30 20 IKED CSc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1 58304174 ZLWLVFWVXYIZQC-UXBLZVDNSA-N 430.501 5.724 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(F)cc2F)ccc1OCC(=O)Nc1ccccc1 209518854 BSJGUKPVTGKSRA-WQLSENKSSA-N 437.442 5.277 30 20 IKED COc1ccc(CNC2(c3cccc(Br)c3)CCC2)cc1OCCCC#N 237344944 ITNXPOWUAYDBBX-UHFFFAOYSA-N 429.358 5.309 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Nc1cccc(NC(=O)C2CCCCC2)c1 426176497 NOLKIXGIZHYWSH-SFHVURJKSA-N 425.598 5.282 30 20 IKED C[C@@H](C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)[C@H]1OCCc2sccc21 431336456 INVYFYKHEUFHAY-MZNJEOGPSA-N 434.536 5.238 30 20 IKED CN(Cc1cccc(N(C)C)c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 431865681 RQESQZRDCHTRIN-UHFFFAOYSA-N 432.499 5.006 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)cc1 432033417 SQLWCONIVPOJDG-LJQANCHMSA-N 431.467 5.520 30 20 IKED N#C[C@H](C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1)c1nc(-c2ccncc2)cs1 437383085 HKJRCQDOGWQYOM-LJQANCHMSA-N 440.459 5.642 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccc(-n3ccnc3)c(F)c2)cc1F 438664503 ITXDBTNNOUWLMF-UHFFFAOYSA-N 445.429 5.136 30 20 IKED N#CCC[C@@H](NC(=O)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 439451848 ZCQFOYMKRYXPIK-HSZRJFAPSA-N 447.922 5.019 30 20 IKED CCCc1c(NC(=O)N2C[C@H](C)C[C@@H]2c2ccccc2F)cnn1-c1cccc(C#N)c1 439667730 BQISYENGTQBCJG-MZNJEOGPSA-N 431.515 5.451 30 20 IKED CCCc1c(NC(=O)N2CCC(OC3CCC(C)CC3)CC2)cnn1-c1cccc(C#N)c1 439703154 PVKMPYAXTLODKK-UHFFFAOYSA-N 449.599 5.288 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)Nc1cccc(CSC2CCCC2)c1 441041349 NOXFAJAAKJESTH-UHFFFAOYSA-N 437.565 5.098 30 20 IKED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 441773537 FOOHJRDTQMWTGH-PBHICJAKSA-N 441.519 5.077 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1cnn(CCC(C)C)c1C 442194551 KNGRTWZRNNYXQY-UHFFFAOYSA-N 431.540 5.641 30 20 IKED C=CCC[C@H](NC(=O)Nc1cccc(OCC(=O)N(C)C)c1)c1ccc(C(F)(F)F)cc1 442223748 FUWOTPRRPWWUGF-FQEVSTJZSA-N 449.473 5.001 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2cccc(CSc3cc(Cl)cc(Cl)c3)c2)n1 442600026 OMRLHFOZULVIIA-GOSISDBHSA-N 433.385 6.541 30 20 IKED N#Cc1cccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2Cc2cccs2)c1 461498238 SGNVRCSKRNENDV-UHFFFAOYSA-N 431.487 5.095 30 20 IKED CC[C@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nc(C(F)(F)F)cs1 465257496 FXWXSRVJVFINJV-SFHVURJKSA-N 445.466 5.494 30 20 IKED CSc1cccc([C@H](NC(=O)NCc2cc(C#N)ccc2F)c2cc(F)ccc2F)c1 466192793 IQYXHQXWBNOGQJ-QFIPXVFZSA-N 441.478 5.286 30 20 IKED Cc1c(C(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)ccc(C(F)(F)F)c1F 468107580 ARFHOIXIKCZTHU-UHFFFAOYSA-N 431.311 5.610 30 20 IKED O=C(c1ccc(Oc2ccc(F)cc2F)cc1)N(CCC(F)(F)F)CC(F)(F)F 468535852 JGTZRWSUJPIELF-UHFFFAOYSA-N 427.291 5.714 30 20 IKED N#C[C@H]1N(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)CCC[C@]12CCCCO2 468652520 IRMDHNBBJILJST-AOYPEHQESA-N 430.504 5.079 30 20 IKED N#CCCN(C(=O)CNc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)c1ccccc1 470548725 XPUHRIFWQVMINL-UHFFFAOYSA-N 440.425 5.251 30 20 IKED COCCOc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(Cl)c1 471742558 YHFJWLNZHBBHFH-UHFFFAOYSA-N 436.895 5.590 30 20 IKED CCOc1ccc(NC(=O)c2ccc(NC(=O)C[C@@H](CC#N)c3ccccc3)cc2)cc1 474090967 VINGMTMNUTXIIE-OAQYLSRUSA-N 427.504 5.364 30 20 IKED COc1cccc(Cl)c1-c1noc(C)c1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 474419702 CKUAFYGMHWBBSB-UHFFFAOYSA-N 448.828 5.112 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1)c1nc2ccccc2n1C(F)F 474964814 MJOSQOXBTWNJKD-ZDUSSCGKSA-N 445.347 6.200 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1 476892980 QZSYKDYCYQAMMN-QGZVFWFLSA-N 428.376 5.930 30 20 IKED N#CCSc1ccccc1NC(=O)CNc1ccc(-c2csc(C(F)(F)F)n2)cc1 480149461 STTCGEVSWULHST-UHFFFAOYSA-N 448.495 5.495 30 20 IKED Cn1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c2ccccc21 487420547 PVEJNJCKRBISKE-UHFFFAOYSA-N 440.450 5.368 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3COC3CCOCC3)n2)cc1 487903132 CGCIUIPSHVESSU-JOCHJYFZSA-N 448.544 5.004 30 20 IKED Cc1cc(N2CCCCCC2)ccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 489365865 ZCNACQKNUBAKQW-UHFFFAOYSA-N 432.568 5.322 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2cccc(OC(F)F)c2)cc1C 498308719 KVPCKVPFUUSJFN-QGZVFWFLSA-N 438.478 5.173 30 20 IKED C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 503666751 NAEKIEAONUKGJO-OAHLLOKOSA-N 425.410 5.125 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2cn3ccccc3n2)cc1Cl 504683128 CEIUQXNZXQBELU-OAQYLSRUSA-N 429.911 5.007 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 504694581 JLTGHFAFHJWENY-UHFFFAOYSA-N 437.952 5.327 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)c2cnn(-c3ccccc3)c2)cc1Cl 504758274 ZKKPTPXTRCMCDK-QFIPXVFZSA-N 440.890 5.003 30 20 IKED O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N[C@@H](c1c(F)cccc1F)C(F)(F)F 505435523 WLAFSNCDSZDTRV-IBGZPJMESA-N 446.322 5.250 30 20 IKED N#C[C@H](NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1ccc(Cl)c(Cl)c1 505946836 CGFRDBOZQCTDGK-INIZCTEOSA-N 439.224 5.193 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509906292 WYEYTCGUGGHZTG-UHFFFAOYSA-N 438.531 5.647 30 20 IKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cnn1C1CCCCC1 511018636 UEZYHMFVMCMFCP-UHFFFAOYSA-N 432.499 5.539 30 20 IKED CCOc1cccc2cc([C@H](C)NC(=O)c3ccc(COc4ccccc4C#N)o3)oc12 512358288 PQTPQLZWGXSNKY-INIZCTEOSA-N 430.460 5.366 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(F)ccc2Br)cc1 513727974 PWUJXZQCVJNPHO-UHFFFAOYSA-N 441.256 5.513 30 20 IKED Cc1cc(O)nc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)ccc12 515247743 GVZOWLXEFMUPGT-UHFFFAOYSA-N 431.439 5.526 30 20 IKED CCC(CC)CN(CC)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 516050837 IRCDYPGJXPMYKJ-OAQYLSRUSA-N 425.960 5.219 30 20 IKED Cc1ccc(-n2ncc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)c2C(C)C)cc1 517307161 XXMQZPIIQFPWGK-UHFFFAOYSA-N 427.533 5.552 30 20 IKED Cc1oc(-c2cccs2)nc1CSCC(=O)Nc1ccccc1SC[C@H](C)C#N 517459888 XMWQAXYCWZJNCX-CQSZACIVSA-N 443.619 5.835 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1c(Cl)cc(Cl)cc1Cl 518663580 CXPZIPSFWPFJMD-NSHDSACASA-N 429.756 6.059 30 20 IKED N#Cc1ccc(NC(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)cc1Cl 518839511 PDYSXQFJIMYAJU-UHFFFAOYSA-N 445.910 5.446 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC(c4nc5ccccc5s4)CC3)cc2)nc1 518905049 ACPUPKNRXDNORF-UHFFFAOYSA-N 440.528 5.375 30 20 IKED Cc1c(Cl)cccc1NC(=O)CCNC(=O)Nc1ccccc1SC[C@H](C)C#N 520856539 IZJCOLZKIDPBLK-CQSZACIVSA-N 430.961 5.051 30 20 IKED CCCN(Cc1ccc(F)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 521839900 NPJJTZSOOXFNDI-UHFFFAOYSA-N 431.511 5.915 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@H]2CCCc3nc(C)sc32)cc1 522092392 VHAOMRGNKDSESS-FQEVSTJZSA-N 448.548 5.665 30 20 IKED Cc1nc2ccccc2n1CCNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 522587546 ITOJRPIIXDQJSZ-UHFFFAOYSA-N 430.895 5.092 30 20 IKED COc1ccc(CC2CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)CC2)cc1 522945307 FYYPLUNEHPRZEY-UHFFFAOYSA-N 446.576 5.101 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2ccc(O[C@H]3CCOC3)cc2)cc1Cl 523556960 WGLLQJBAWVVIQM-GMAHTHKFSA-N 447.922 5.807 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 525004476 QIXMREXHLWXUBI-CYBMUJFWSA-N 429.973 5.635 30 20 IKED Cc1cc(Br)cc2cc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)oc12 526109673 GDOTWVRRBZIQSG-OAHLLOKOSA-N 438.306 5.512 30 20 IKED N#Cc1cc(F)c(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)c(F)c1 531266275 CIUBPGBNYMJRQB-UHFFFAOYSA-N 445.347 5.360 30 20 IKED C[C@H](C(=O)Nc1ccccc1C#N)N(C)CCCCCc1cc(-c2cccc(F)c2)no1 532513309 DNVNQZNZYNESTQ-GOSISDBHSA-N 434.515 5.024 30 20 IKED CCN(CCC1CCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1)CC1CC1 537844796 BJXZNOCOHZDXAB-IBGZPJMESA-N 428.646 5.304 30 20 IKED CCN(C(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1)c1ccc(C#N)c(Cl)c1 538072729 NNLQYRJJMLEXSX-UHFFFAOYSA-N 428.323 5.236 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)c3cccc(Br)c3Cl)n2)c(Cl)c1 541111121 APTWQAAKKTWHMB-UHFFFAOYSA-N 436.096 5.066 30 20 IKED COc1ccc([C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c2ccc(C)cc2)cc1 541440524 XVUIWJRIVUJIDY-SANMLTNESA-N 425.532 5.339 30 20 IKED CC(C)(C)Oc1c(F)cc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1F 542052179 HEUQOLTVJSBSFE-UHFFFAOYSA-N 426.419 5.438 30 20 IKED CN(CCc1ccccc1O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 544249939 NBXHFLWDCYUADT-UHFFFAOYSA-N 435.911 5.203 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1C[C@H](C)O[C@H](c2ccc(F)cc2)C1 549328160 ZHSWUSPNVFOGRK-MBSDFSHPSA-N 443.526 5.175 30 20 IKED C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC(C(=O)c2cc(F)ccc2F)CC1 549665992 FLEXBJPJRJJHGX-UHFFFAOYSA-N 436.506 5.207 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccccc1C(=O)c1ccc(F)c(F)c1 553115997 KRNCEEWIIWWUAN-UHFFFAOYSA-N 437.490 5.192 30 20 IKED CC1(C(=O)N2CC[C@H](c3c(F)cccc3F)C2)CCN(c2ccc(Cl)cc2C#N)CC1 557425666 TUIVBZXHOLMDPD-INIZCTEOSA-N 443.925 5.112 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 558338558 DHKLUTKZRUCAGC-MRXNPFEDSA-N 436.556 6.113 30 20 IKED CCCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 561839504 CCFIILLHCYSGHK-VWLOTQADSA-N 427.523 5.726 30 20 IKED C=CCC[C@H](NC(=O)Cc1cncn1Cc1ccccc1)c1ccc(C(F)(F)F)cc1 562177204 VKTHSXZHAWVBSY-QFIPXVFZSA-N 427.470 5.316 30 20 IKED CC[C@H](C)N[C@@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccco1 564337105 GKPMKCJALRLZHV-CYFREDJKSA-N 446.551 5.290 30 20 IKED CN(CCOCc1ccc(C#N)cc1)C(=O)c1csc(-c2cccc3ccccc23)n1 566584126 MQRQAOGMNJMBLG-UHFFFAOYSA-N 427.529 5.124 30 20 IKED Cc1nc(-c2ccc(NC(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)cc2)oc1C 586877010 YRYLKYAIEPOIAK-UHFFFAOYSA-N 448.954 5.729 30 20 IKED C=C(C)CN1CCC(NC(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)CC1 592329488 RPGMJSCXCLNIHM-UHFFFAOYSA-N 429.511 5.041 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c1C 603901720 HUPZOCXOHRPSSP-UHFFFAOYSA-N 426.929 5.046 30 20 IKED CCN(C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)[C@H](C)c1ccc(C#N)cc1 604343340 NZPUXBYJBIUAQQ-QZTJIDSGSA-N 443.507 5.258 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)NCCCc3cccc(C(F)(F)F)c3)o2)cc1 609058628 IECHBALYLGSQHV-UHFFFAOYSA-N 428.410 5.112 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)c1sc(-c2ccc(C)cc2)nc1C 609356545 KGWIMQXKRJGHQD-LJQANCHMSA-N 430.577 5.757 30 20 IKED COc1ccccc1[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1 609398789 SDEUBRXEYFWVTO-HOYKHHGWSA-N 431.561 5.858 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1nc2ccccc2n1C(F)F 609402924 IIICLJKPRLQDFJ-ZIAGYGMSSA-N 429.496 5.566 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1(c2ccccc2)CCCCCC1 609439471 QHSGYFGNHQQLKG-FQEVSTJZSA-N 449.620 5.428 30 20 IKED N#C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1ccccc1Br 609592253 WZQWCRNQLWQNKE-KRWDZBQOSA-N 446.757 5.150 30 20 IKED COc1cccc(C[C@@]2(C(=O)Nc3ccccc3SC[C@@H](C)C#N)C[C@H]3CC[C@H]2C3)c1 609786277 AZZPHITVACXGFR-XXKSCLRYSA-N 434.605 5.935 30 20 IKED CC(C)(C)[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1 618556638 DNYNZHZILPIQDG-VNHYZAJKSA-N 428.392 5.685 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2N1C(=O)[C@H](c2ccc(Cl)cc2Cl)N(C2CC2)C1=O 619465328 PKSCPIQZCVAYPT-UXHICEINSA-N 426.303 5.020 30 20 IKED N#C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)c1ccc(Cl)cc1 619863834 JBXAGJYXNKHYMI-UWJYYQICSA-N 449.967 5.616 30 20 IKED N#C[C@@H](C(=O)c1cnn(Cc2ccccc2)c1)c1nc2cc(C(F)(F)F)ccc2s1 642282185 RNFHRIKKYSFRQW-INIZCTEOSA-N 426.423 5.050 30 20 IKED CC1(C)C(=O)Nc2cc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)ccc21 645955541 FPRDZBNSFGYNLG-GFCCVEGCSA-N 429.423 5.035 30 20 IKED N#C[C@H](C(=O)c1ncccc1OCC(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 674485787 LAHNPPRNGHFJPF-SNVBAGLBSA-N 445.344 5.141 30 20 IKED O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674617470 WXYJEWUQSFUBMM-XHSDSOJGSA-N 426.376 5.439 30 20 IKED COc1ccc(C(C)=NNc2nc(C(F)(F)F)nc3ccccc23)cc1CN1CCCC1 725831198 OELXMPMHMMAKNC-UHFFFAOYSA-N 443.473 5.089 30 20 IKED C#Cc1cccc(NC(=S)Nc2ccc(CN3CCN(c4cccc(C)c4)CC3)cc2)c1 726462596 KBYPNIOGKKGPSW-UHFFFAOYSA-N 440.616 5.107 30 20 IKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cccc(Cl)c2)c1 726572154 VCVIZLKIVGIQRR-UHFFFAOYSA-O 441.363 5.784 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=S)Nc3ccc4c(c3)OCCCO4)c2)cc1 727279177 ZDAISTGHDLLPKI-UHFFFAOYSA-N 445.544 5.302 30 20 IKED N#C[C@H](C(=O)CSC[C@H]1CCCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 727626804 GARRAMMJHXHBIQ-UKRRQHHQSA-N 441.405 5.595 30 20 IKED C#Cc1cccc(N(C(=O)CSc2nnc(-c3ccccc3)n2[C@H](C)CC)C(C)C)c1 728245779 IJVNFQYJWSIBEB-LJQANCHMSA-N 432.593 5.431 30 20 IKED C=CCc1cc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc(OC)c1OC 729369527 HFGITXFVCAXMLR-DEOSSOPVSA-N 442.515 5.006 30 20 IKED CC(C)c1ccccc1N(C(=O)Cc1ccc(OCC#N)cc1)c1nc2ccccc2s1 731956954 NVGLBOJMBCXOEN-UHFFFAOYSA-N 441.556 6.229 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)c1 731975871 ISTGXKBJMGMYHO-KRWDZBQOSA-N 449.403 6.032 30 20 IKED CCc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 732377142 AREJVARSKZQYAC-GOSISDBHSA-N 428.488 5.291 30 20 IKED C[C@@H](OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc(O)c2ccccc2n1 732377461 NDMQRUMEAQLIAB-MRXNPFEDSA-N 425.444 5.112 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)CCc2ccc(-c3ccccc3F)o2)ccc1OC 733231688 GUUACXNATNYNKN-GOSISDBHSA-N 436.483 5.024 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2ccc(-c3csc(C)n3)cc2)c1 733800271 XTKDVWSMKZBJOA-HRAATJIYSA-N 434.565 5.360 30 20 IKED CC(=O)N(c1nc(/C=C\c2cc(Cl)n3c(nc4ccccc43)c2C#N)cs1)C1CC1 734306505 POVGCXAEAHWIPR-SREVYHEPSA-N 433.924 5.155 30 20 IKED Cc1nc(-c2ccccc2F)sc1[C@@H](C)OC(=O)CCc1c(C)nc(O)c(C#N)c1C 734736908 ZNOIIIXVGWHACE-OAHLLOKOSA-N 439.512 5.084 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2cc(Br)sc2Br)cc1 735040038 WCMLWQSCABCEQF-UHFFFAOYSA-N 428.149 5.142 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](C)c2cccc(Cl)c2Cl)ccc1OC 735581583 QBCHEWQFAOZTNB-ZFWWWQNUSA-N 436.339 5.243 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)OC(=O)CCc3c(C)nn(CCC#N)c3C)s2)cc1 739301658 NEKJLZNJSZYRPL-IBGZPJMESA-N 436.581 5.391 30 20 IKED C#Cc1cccc(N(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)C(C)C)c1 741920671 TUEJDTKASWYQBP-UHFFFAOYSA-N 426.303 5.612 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)cc1 744033437 QFDVJNHNAFEKPN-JXFKEZNVSA-N 437.515 5.285 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccc([N+](=O)[O-])cc1F 755616225 WYBOAFYYRDYRIO-ZBEGNZNMSA-N 429.860 5.491 30 20 IKED COc1cc(/C=C\C(=O)c2sccc2O)ccc1OCC(=O)Nc1ccccc1Cl 756620065 AXISNDUFKHCHLB-VURMDHGXSA-N 443.908 5.029 30 20 IKED CCOC(=O)C1C/C(=C\c2cnc(C(C)C)s2)C(=O)/C(=C/c2cnc(C(C)C)s2)C1 758434429 RQPVBQMHEXJLEX-KAVGSWPWSA-N 444.622 5.856 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 758585028 DKROLJQZWDPOBG-TZIWHRDSSA-N 447.491 5.072 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1sc2cc(Br)ccc2c1Cl 760800398 DVWSSQYXRMBLPP-UHFFFAOYSA-N 439.693 5.611 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC2CCC(O)(c3ccccc3)CC2)cc1 760929724 NHGQLPGFVYDTFP-UHFFFAOYSA-N 427.504 5.302 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)c1cccc(C(=O)c2ccccc2)c1 762049797 GJWOWQBXIMAWHL-JTSKRJEESA-N 437.524 5.416 30 20 IKED N#Cc1ccc(/C(O)=C(/C(=S)Nc2ccccc2Cl)[n+]2ccc3c(c2)CCCC3)cc1 762445582 TUPOXDSKMPRFRB-UHFFFAOYSA-O 446.983 5.701 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC(O)(c4ccccc4Cl)CC3)c2)cc1 765046254 KZNKHJKJAHSZHJ-UHFFFAOYSA-N 432.907 5.128 30 20 IKED COc1ccc(-c2csc3ncnc(NN=Cc4ncccc4C(F)(F)F)c23)cc1 765570075 QCJGKHBBNGNIKZ-UHFFFAOYSA-N 429.427 5.227 30 20 IKED C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccc(Br)cc1 766625430 MWHQBSLZNLZOFN-ACJLOTCBSA-N 436.334 5.424 30 20 IKED Cc1ccsc1C(=O)Nc1ccc(OC(=O)c2cn(CCCC#N)c3ccccc23)cc1 767883453 SZEHWMSOORIYNI-UHFFFAOYSA-N 443.528 5.787 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CCCC[C@@H]2c2ccc(F)cc2F)c1=S 769852925 LNEPFUWYIGRWRM-OAQYLSRUSA-N 441.551 5.515 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C 776840147 VLYCVCLSHBTMMK-INIZCTEOSA-N 437.565 5.631 30 20 IKED C[C@@H](Sc1nc(C(F)(F)F)ccc1C#N)C(=O)Nc1ccc(N2CCCCC2)cc1 777569156 FFTNYWDWXKOLJE-CQSZACIVSA-N 434.487 5.082 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 780678037 KDTNJPLPWZMSEO-ZWKOTPCHSA-N 433.483 5.578 30 20 IKED C[C@H](OC(=O)C1(c2ccc(C#N)cc2)CC1)c1nnc(-c2ccc(Cl)cc2Cl)o1 781394217 FVSXWIJHAADSSV-LBPRGKRZSA-N 428.275 5.251 30 20 IKED N#CCCn1cc(/C=C\C(=O)c2cccc(OCc3ccccc3)c2)c(-c2ccncc2)n1 788349050 IIUXUQFOXIBSSG-KHPPLWFESA-N 434.499 5.334 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 788572246 PEUZSBMJEJOGRS-RUZDIDTESA-N 441.506 5.608 30 20 IKED C[C@@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 795984941 WWJNXGXHQYCWFG-UKRRQHHQSA-N 430.291 5.735 30 20 IKED N#C[C@@H](C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccc(Cl)cc2)cs1 802043675 LXIRXOBJHIHDJE-DOTOQJQBSA-N 438.833 6.369 30 20 IKED C#C[C@H](NC(=O)Nc1ccc(Cc2nc(C(C)C)no2)cc1)c1ccc(Cl)cc1F 806532560 XGUGDNPZYYIKGT-IBGZPJMESA-N 426.879 5.072 30 20 IKED O=C1/C(=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)C[C@H](C(=O)O)c2ccccc21 806563405 WEECTHKPZXMBMM-GWCFYCIZSA-N 429.419 5.667 30 20 IKED F[C@H](c1ccc(C(F)(F)F)cc1)c1noc(-c2ccc3nc(C(F)(F)F)cn3c2)n1 809497103 AFFBWHCSTZGQTC-CQSZACIVSA-N 430.283 5.481 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)s1 810576159 OZFUKXZVYWXVGM-LBPRGKRZSA-N 431.514 5.358 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl)c1ccc(F)c(Br)c1 813059920 LPNUXIDPVBJDPU-DGCLKSJQSA-N 437.696 5.083 30 20 IKED CC(C)(C)OC(=O)N[C@H](CCCCC#N)c1nc(-c2cc(Br)cs2)no1 904395489 GZZNLBGHRZZBGN-GFCCVEGCSA-N 441.351 5.210 30 20 IKED N#Cc1ccccc1COc1ccc(-c2nc(-c3ccc(Br)cn3)no2)cc1 904850612 ZOAIGFUKSUTKJG-UHFFFAOYSA-N 433.265 5.012 30 20 IKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2cccc(C)c2)C=C1 912822700 KBRXRKARUWDBKA-UHFFFAOYSA-O 438.960 5.030 30 20 IKED C=CCn1c(SC[C@@H](O)c2cccc(Br)c2)nnc1-c1cccc(C)c1 913115385 UAFALRQQYKQIKT-GOSISDBHSA-N 430.371 5.028 30 20 IKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1nc(-c2ccccc2)cs1 915101363 ADUQARDFZMBQGB-GOSISDBHSA-N 433.920 5.928 30 20 IKED N#C[C@H](C(=O)C1(c2cccc(Br)c2)CC1)c1nc2ccccc2n1C(F)F 915103959 IIUNFQHJGTYMNH-CQSZACIVSA-N 430.252 5.102 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 915351420 BLHTVLDBEVXJCY-RUZDIDTESA-N 444.966 5.345 30 20 IKED CCN(CC)[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccsc1 915353497 NZJKHGXFHNCESW-ZEQRLZLVSA-N 432.593 5.608 30 20 IKED O=C(O)CCOc1ccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)cc1 915982473 DJKAJVAGGHCRJC-CAPFRKAQSA-N 429.497 5.573 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(C)nc3ccccc3c2=O)cc1C 916292775 LEHVGVJOLSYDDM-UHFFFAOYSA-N 433.515 5.057 30 20 IKED CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 916469150 JDFQIWOTDFETLB-IFMALSPDSA-N 435.959 5.428 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1cccc(OC)c1 916664640 OWNCNRWDYRDTIR-UHFFFAOYSA-N 430.533 5.024 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@@H](C)Sc1ccc(Cl)cc1 916901598 LYCXIJCOTOXOIE-IUODEOHRSA-N 437.348 5.139 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 916912764 KADOHSCOOBGHGI-NRFANRHFSA-N 443.503 5.144 30 20 IKED N#C[C@@H](C(=O)CCCOc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1Cl 916931490 LWOHRIKOAWOJLU-SFHVURJKSA-N 441.314 5.653 30 20 IKED N#Cc1c(NC(=O)c2ccc(C3SCCCS3)cc2)sc2c1-c1ccccc1CC2 917774032 HCLCHKGMVGACRJ-UHFFFAOYSA-N 448.638 6.506 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1 917817031 YZGRJEOHPACEQU-UHFFFAOYSA-N 440.330 5.821 30 20 IKED COCCOc1ccc(C(=O)/C=C\c2c(Cl)nc(Cl)n2-c2ccccc2)cc1OC 920067638 AHFUBADWWUMWDR-KTKRTIGZSA-N 447.318 5.109 30 20 IKED Cc1ccc([C@@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2c(C)cccc2C)s1 920170395 KQEBPZGLWPUZHP-VQIMIIECSA-N 441.622 5.035 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4ncncc4c3)CCC2)cc1 1789626612 YVRBDAMHGIQACG-UHFFFAOYSA-N 442.563 5.370 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C)c(C)c2)[C@H]1c1cccnc1 1802496397 QJEFDGFSHAJSSF-RPWUZVMVSA-N 433.596 5.010 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccccc2Cl)n[nH]1 1816904561 XMIVSSSWRSIRQV-HXUWFJFHSA-N 442.991 5.290 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)c2cccs2)CC1 1824145015 PXYFZDMUCRNDRW-DENIHFKCSA-N 428.642 5.240 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)C(C)(F)F)CC1 1824628366 PMCSBIYNKNKYDS-LJQANCHMSA-N 426.592 5.280 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CNc2ccccc2C)CC1 1827005973 ACLKYSKCSVCTGV-DEOSSOPVSA-N 439.644 5.019 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 1828828020 BLBTXIVJYGYSDL-ZCYQVOJMSA-N 433.596 5.170 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2OCC)CC1 1829919371 FICQPNIWPDNZDT-XMMPIXPASA-N 438.612 5.087 30 20 IKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@H](CCC)CC2)CC1)C(F)(F)F 1831454052 UUXPBIKMBUVIGL-HMXCVIKNSA-N 442.566 5.331 30 20 IKED CC(C)C1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)CCC1 1832635336 AMKZFKJETCGFNL-PXDATVDWSA-N 449.639 5.373 30 20 IKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2ccccc2Cl)n1C1CCCC1 8988950 ZPTFSQBSSAWHAU-OYHNWAKOSA-N 446.020 5.249 30 20 IKED C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 16771877 WILXFOZZEAHNHE-LBPRGKRZSA-N 441.919 5.063 30 20 IKED C=CCN(C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1)c1nc(-c2ccccc2)cs1 21248326 SMLSWDAGQMPQKM-UHFFFAOYSA-N 428.513 6.106 30 20 IKED C=CCNC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)cc1 29812014 GLFHXMDJZVXJGF-GOSISDBHSA-N 430.508 5.226 30 20 IKED C=CCn1c(S[C@@H](C)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)nnc1C1CC1 60383984 XDJIQESEKYUBKQ-NSHDSACASA-N 441.607 5.221 30 20 IKED CC(C)CCOc1cccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 64752317 MJXFDRXSAZSSML-UHFFFAOYSA-N 448.523 5.086 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(Sc2nncs2)cc1 71940308 OUELKUAOSQFJJP-UHFFFAOYSA-N 446.582 5.964 30 20 IKED C=CCn1c(S[C@H](C)c2nc(C3CC3)no2)nc2cc(-c3ccccc3)sc2c1=O 108154165 GYXSAIGDPAMGJC-CYBMUJFWSA-N 436.562 5.425 30 20 IKED C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1cccc(OCc2ccccn2)c1 237454408 XVOGQNDQZCOCQD-JOCHJYFZSA-N 449.554 5.962 30 20 IKED N#Cc1nc(Sc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)ccc1Cl 301499929 DEQGFLIOIBHUQQ-UHFFFAOYSA-N 425.304 5.054 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 301752757 XSWXCRJCYYGJPZ-CXTCDGGRSA-N 428.823 5.650 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2nnc(-c3ccc(Cl)cc3)o2)cc1 303035772 RTJBRRMKCIAXFE-UHFFFAOYSA-N 432.886 5.603 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCSc1ccc(Br)cc1 303335301 XIFZEMMUTZHWKY-AWEZNQCLSA-N 435.412 5.822 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 410285996 ZTCMFMYNJHZUHI-QFIPXVFZSA-N 440.547 5.212 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 410350365 DIZJXBHTBJGGEU-CQSZACIVSA-N 442.302 5.767 30 20 IKED CSc1nc(O)c(C(=O)Nc2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc1C#N 428037904 VMJVRLCEWUHBPV-UHFFFAOYSA-N 445.422 5.444 30 20 IKED CCc1noc(-c2ccc(C)c(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)c2)n1 430436095 ZANNUCAXNZACDP-UHFFFAOYSA-N 438.487 5.310 30 20 IKED CCCN(C(=O)c1cccs1)C1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 431524443 LGUFIIUUEMUSAW-UHFFFAOYSA-N 438.597 5.098 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N(CC)[C@@H](C)Cc2ccccc2C(F)(F)F)cc1 431972692 XAELOLTXZQHYQD-INIZCTEOSA-N 433.474 5.106 30 20 IKED Cc1cc(I)ccc1NC(=O)N[C@H](CCCC#N)c1ccccc1 432470451 IHGJMNFCKIFZDW-GOSISDBHSA-N 433.293 5.156 30 20 IKED N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3ccccc3Oc3ccccc3Cl)C2)nc1 432641323 IGODQOVEBLZQJO-KRWDZBQOSA-N 434.883 5.084 30 20 IKED N#CCCC[C@H](NCC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 433020008 MGJPOZXDXOAAKV-AZGAKELHSA-N 431.967 5.570 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 438046575 GSOOUUFWSKNXHH-INIZCTEOSA-N 425.554 5.215 30 20 IKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)N[C@@H](CCC#N)c3ccccc3)c2)c1 438851529 YNHBFNVASGZBBC-DEOSSOPVSA-N 441.535 5.483 30 20 IKED C[C@H](SCC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nc2ccccc2[nH]1 444003582 TYHNLZBFGCJHPA-HNNXBMFYSA-N 446.507 5.799 30 20 IKED Cc1oc(NC(=O)CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(C#N)c1C 444740451 XNWVMONRXIBJJN-HNNXBMFYSA-N 433.352 5.009 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(-c2nc(CCn3nnc4ccccc43)no2)c1 460724999 OTNCBZZWZAXYEP-UHFFFAOYSA-N 442.866 5.041 30 20 IKED C=CCN(Cc1ccc(Cl)s1)c1nnc([C@@H]2OCC[C@@H]2C)n1Cc1cccs1 461313019 LJTZZXMMICTCAB-KBXCAEBGSA-N 435.018 5.393 30 20 IKED N#Cc1cc(NC(=O)c2cc3ccccc3nc2O)ccc1Oc1ccc(C(F)(F)F)cc1 464283577 OOTRCBOSGDJNMO-UHFFFAOYSA-N 449.388 5.875 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cc(F)cc(Br)c2F)c1 468198676 JUOQOJQORLOJDJ-UHFFFAOYSA-N 433.208 5.023 30 20 IKED CC[C@H](CSc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469193330 JYVRUCNUUJSRGG-GOSISDBHSA-N 438.553 5.161 30 20 IKED C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(=O)Nc1ccc(C(C)(C)C)cc1 469194136 KLHYCJHBDNWAAH-SFHVURJKSA-N 432.568 5.006 30 20 IKED CCc1ccc([C@@H](NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C(C)C)cc1 470559041 NDCRYSCEOCCPFK-VWLOTQADSA-N 432.568 5.351 30 20 IKED C=CCN(Cc1cccs1)C(=O)c1ccc(C(=O)N(CC=C)Cc2cccs2)o1 473668229 WWJBWZQOCVDTAN-UHFFFAOYSA-N 426.563 5.059 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(O)ccc2C(F)(F)F)cc1Cl 474900204 PEGOOXZZCNOKOJ-SFHVURJKSA-N 430.813 5.972 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C 475581688 KNFNXGMTEXODNO-LJQANCHMSA-N 435.568 5.068 30 20 IKED CC(C)(C#N)c1ccc(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)cc1 476061903 PJIGSVBNGZVJHS-UHFFFAOYSA-N 425.410 5.946 30 20 IKED Cc1ccc(I)cc1C(=O)Nc1ccccc1S[C@H](C)CC#N 477128714 QDSYEWHZWGITGM-CYBMUJFWSA-N 436.318 5.246 30 20 IKED C=CCOc1c(Br)cc(CNc2ccc3c(c2)CN(C)C(=O)N3)cc1OCC 479409655 PZLSRNBMSRFBNG-UHFFFAOYSA-N 446.345 5.002 30 20 IKED C[C@H]1c2cccc(Br)c2CCN1C(=O)Nc1ccccc1S[C@H](C)CC#N 480592714 OFOHDRANGKEEHZ-CABCVRRESA-N 444.398 5.995 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 480642694 GEXCYZACJUUOST-UHFFFAOYSA-N 442.850 5.690 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)c1nc(Cc2ccccc2)no1 481376944 UEWCFVVRRDSCNM-SFHVURJKSA-N 447.564 5.179 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cccc(Oc3ccccn3)c2)nnc1-c1ccco1 481871373 RSLWSWWAWPAHDF-UHFFFAOYSA-N 447.520 5.032 30 20 IKED O=C(NCc1cccc(COCC(F)(F)F)c1)N[C@@H](c1ccc(F)cc1)C(F)(F)F 482140313 FTEUIMLLVDVCNJ-INIZCTEOSA-N 438.343 5.007 30 20 IKED COc1ccc([C@@H](NC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)C(F)(F)F)cc1 482328708 FWMNOZHOPUSKAL-HZPDHXFCSA-N 438.343 5.431 30 20 IKED N#C[C@H](C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1cnc2ccccc2n1 483229871 LLHUMYZFRJJLQO-SFHVURJKSA-N 426.863 5.026 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1c(-c2ccc(Br)cc2)noc1CC 483365297 JUOVGVKEIKDOSG-UHFFFAOYSA-N 440.297 5.189 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(F)cc(Br)c1F 483528297 GXFHIZFBUBKFMF-UHFFFAOYSA-N 427.293 5.115 30 20 IKED Cc1ccccc1COc1cccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 485307534 YWAJPUUKOICBRC-UHFFFAOYSA-N 442.563 5.041 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(Br)c(O)c2)cc1 486180611 TUHVNBNFMDKWKI-UHFFFAOYSA-N 439.265 5.080 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCCc2ccc(Br)s2)cc1 487840589 TUOCOGCXKFDUOO-UHFFFAOYSA-N 445.304 5.296 30 20 IKED N#CCCSc1ccccc1NC(=O)c1coc(-c2ccc(Br)cc2F)n1 489389063 RBCVSHRQEKEYJM-UHFFFAOYSA-N 446.301 5.501 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C(=O)Nc3ccc(OC)cc3)C(C)C)o2)cc1 489815172 XEDWLGGWMUHDBJ-HXUWFJFHSA-N 439.537 5.065 30 20 IKED Cc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1C(F)(F)F 495350322 CDWSIICTZYVMGL-UHFFFAOYSA-N 431.311 5.610 30 20 IKED COc1cccc(/C=C(\CC(=O)N(CC#N)c2ccccc2)c2nc3ccccc3s2)c1 497355156 RQAILFGWVVZZCI-CAPFRKAQSA-N 439.540 5.792 30 20 IKED CC1(C)CN(C(=O)c2cccc(SCC#N)c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 497853558 OSYWUQUVYMCDSL-IBGZPJMESA-N 434.483 5.313 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)Nc3cccc(OCCCC#N)c3)c12 498778376 IJDJSDDBAOXYBB-UHFFFAOYSA-N 430.464 5.370 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)N(Cc1ccc(C#N)cc1)CC(C)C)O[C@@H](C)C2 499914184 RQJLGYHDXMVPHE-JKFKMHIGSA-N 432.564 5.069 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1 500314675 LBDWDIDAGRKNHT-UHFFFAOYSA-N 447.494 5.642 30 20 IKED C=C(C)[C@H](NC(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1)c1ccc(F)c(F)c1 501012870 CJQFZAPRMJBQPD-NRFANRHFSA-N 445.897 5.409 30 20 IKED CC(C)Oc1ccc(NC(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)cc1C#N 501341141 NUOPISQDMUVFRX-NRFANRHFSA-N 445.523 5.545 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(Nc3ccccc3F)s2)c1C 501550313 KAHOUIIGYZEMIW-UHFFFAOYSA-N 441.557 5.077 30 20 IKED COc1ccc([C@@H](CNC(=O)N[C@H](C)c2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1 505316842 DXIFHYOMTGIZRW-HOYKHHGWSA-N 438.531 5.240 30 20 IKED C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1Cl 507160312 LIYTYPPHJOBAKX-OAHLLOKOSA-N 441.934 5.282 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)CC2)c(F)c1 507664808 HZBUXWNFSDLSAR-OAQYLSRUSA-N 446.353 5.584 30 20 IKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 507876027 WLGKRLGYGLQPON-SFHVURJKSA-N 445.544 5.358 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@@H](c3ccccc3Cl)C2)cc1 509249846 XOHQEQAGSFVOKT-HSZRJFAPSA-N 433.895 5.609 30 20 IKED C[C@@H](C#N)CN(C)C(=O)c1cc(/C=C\c2cccs2)nc2ccc(Br)cc12 512856076 JUBBGLNDBSCMGU-AFNCTOJWSA-N 440.366 5.461 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1nc(-c2ccncc2)cs1 512981393 PFZNYJIVIHAOIN-INIZCTEOSA-N 445.525 5.195 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(F)cc(Br)c1 514423765 IQPSVNAEGPZDOP-UHFFFAOYSA-N 426.245 5.208 30 20 IKED N#Cc1c(SCC(=O)Nc2cc(Cl)ccc2F)nc2c(c1-c1ccco1)CCC2 515163321 YFQNBVPPAHPPLR-UHFFFAOYSA-N 427.888 5.225 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 517461517 KJTBNDHUQBFEIE-KRWDZBQOSA-N 446.532 5.711 30 20 IKED CC[C@H](c1ccccc1)c1nnc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)s1 518052694 ATQXJXCJSBTWTF-OAQYLSRUSA-N 447.564 5.027 30 20 IKED N#CCCCOc1cccc(NC(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)c1 519268322 CMXFXFBHGDEPPH-HSZRJFAPSA-N 438.499 6.119 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1 519347629 KELWEEFTQMHFHT-FQEVSTJZSA-N 439.471 6.103 30 20 IKED C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 519891121 IROXSVFOXRGWAC-JTQLQIEISA-N 437.270 5.266 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(Br)cc2O)cc1 520362269 IECCMPQDGSAKRJ-UHFFFAOYSA-N 439.334 5.571 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccccc3OC[C@@H]3CCCCO3)c2)c1 522313183 SJKWUOJBDLKRNJ-DEOSSOPVSA-N 442.515 5.337 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccc(F)c(Cl)c2)cc1 522447532 OKHCTSMPYBBJOW-UHFFFAOYSA-N 425.866 5.402 30 20 IKED Cn1c([C@H](C#N)C(=O)c2csc(-c3ccc(Br)s3)n2)nc2ccccc21 523459013 JURDHXBVAOEFFZ-SNVBAGLBSA-N 443.351 5.011 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccccc2COC(C)C)cc1 523695813 NVMIWZVURHJOBJ-UHFFFAOYSA-N 445.519 5.606 30 20 IKED COc1ccccc1-c1nc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)n[nH]1 523943733 CPECIGIJIRNVKE-UHFFFAOYSA-N 445.866 5.050 30 20 IKED N#Cc1cccc(COc2cccc(CNC3(c4cccc(Br)c4)CC3)c2)c1 525404048 TXWKVSQGZJCJDH-UHFFFAOYSA-N 433.349 5.679 30 20 IKED COc1cc([C@H](C)NCc2nnc(-c3ccc(C#N)cc3)o2)ccc1OCc1ccccc1 540352515 OMXPHXFHPYPDRU-SFHVURJKSA-N 440.503 5.047 30 20 IKED CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1-c1ccccc1C#N 540779198 LPSZMNGPLWTUCT-VSGJHWFKSA-N 449.554 5.133 30 20 IKED Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 541132026 ADXDTQLLNAIBKO-UHFFFAOYSA-N 447.495 5.033 30 20 IKED Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542931475 CLKGHAZWEWFZFO-IBGZPJMESA-N 428.580 5.505 30 20 IKED O=C(CC[C@H]1CCCO1)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 543084884 LPFKNBQXUIHHMH-TZMCWYRMSA-N 437.302 5.403 30 20 IKED Cc1cc(C#N)ccc1-c1nc(-c2ccccc2-c2ccc(CN3CCOCC3)cc2)no1 544532633 NATGGWFVGGOEGZ-UHFFFAOYSA-N 436.515 5.083 30 20 IKED CC(=O)N1CCc2c(NC(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)cccc21 546011974 UILOGTIKRWANMX-UHFFFAOYSA-N 431.879 5.165 30 20 IKED C=C[C@H](Cc1nc(Cc2nc(O)c3c(-c4ccccc4)csc3n2)no1)c1ccccc1 546246372 URIWPSFAXDMAKY-MRXNPFEDSA-N 440.528 5.550 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)C(F)(F)F 548183812 OZOVLMRGMBBDHS-SZNDQCEHSA-N 441.457 5.025 30 20 IKED C=CCn1c(-c2ccc3ccccc3c2)nnc1N(C)Cc1nc([C@H](C)OCC(C)C)no1 548850651 SWUGJLSIZBQQKD-SFHVURJKSA-N 446.555 5.037 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(OCc2ccncc2)cc1 551118593 NAGYXKPHCNHYRS-UHFFFAOYSA-N 436.471 5.280 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(OCc2ccncc2)cc1 551683430 UZUOAMKDKAWFKL-UHFFFAOYSA-N 449.510 5.672 30 20 IKED CC(C)[C@@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(C(F)(F)F)cc1 554524652 JAXYIDPFNOMXMD-HXUWFJFHSA-N 430.474 5.064 30 20 IKED N#Cc1ccc(C[C@@H](C#N)c2nc(C3(c4ccc(Br)s4)CCC3)no2)cc1 561928577 HGNAOXDLCDWTKQ-HNNXBMFYSA-N 439.338 5.085 30 20 IKED COc1cc(CNC(=O)N(C)[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)ccc1C#N 562250895 VPYPHMRFBKSBEF-QGZVFWFLSA-N 434.565 5.210 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1 604364100 MGXRVIIRGODRBF-NRFANRHFSA-N 436.515 6.243 30 20 IKED O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 605027260 DIGFFYLHSFNKPD-UHFFFAOYSA-N 428.682 5.707 30 20 IKED CN(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccc(C#N)cc1F 608798184 HXGQHCFUJVOJPC-UHFFFAOYSA-N 444.897 5.409 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(C)(C)C)nn1Cc1ccccc1 608915888 XQDTXSWBSYTGKN-UHFFFAOYSA-N 429.568 5.543 30 20 IKED Cc1nc(-c2ccsc2)ccc1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 609174352 LVSBKYCMMJNWOQ-VWLOTQADSA-N 439.540 5.692 30 20 IKED C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 609387176 RKKDAMXAWDZJPG-CHWSQXEVSA-N 441.906 6.050 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(Cc1ccc2ccccc2c1)C1CC1 609403645 NLMNMBCELPFMLL-SFHVURJKSA-N 443.572 5.221 30 20 IKED COc1ccc([C@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccc(F)cc2)cc1 609435086 OIOMYHMNDOHZJW-MZNJEOGPSA-N 449.551 6.140 30 20 IKED N#Cc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2cccc3ccccc23)cc1Cl 609531173 NHHBPHXFFUFIQO-XMMPIXPASA-N 439.902 5.209 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)Nc3ccc(O[C@@H]4CCOC4)cc3)c2)cc1 610093426 JSXCSAKDYQFEOH-RUZDIDTESA-N 443.503 5.143 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)N[C@H](C)c2cccc(C#N)c2)c1C 610325109 HYYWZTKFOVSQPS-CQSZACIVSA-N 428.323 5.550 30 20 IKED C[C@H](NC(=O)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1cccc(C#N)c1 610356417 REZLMOXGMKWONZ-UPCLLVRISA-N 447.922 5.133 30 20 IKED N#Cc1ccc(CN[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c(Br)c1 611938326 CWVDADHIWHJSCI-NRFANRHFSA-N 426.745 5.443 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2nc3ccccc3s2)o1)c1nc2cc(Cl)ccc2s1 613403987 YMUYRSIBHHVDHC-GFCCVEGCSA-N 435.917 6.309 30 20 IKED O=C(c1csc(-c2ccc(F)cc2)n1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618301762 VOLTVGYICKHNOP-QWRGUYRKSA-N 426.357 5.152 30 20 IKED Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 670068961 CBRUPZYKISGZFH-GJZGRUSLSA-N 435.343 5.401 30 20 IKED O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674616101 FDZFDJWHZFLQSE-BRWVUGGUSA-N 434.355 5.297 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1(Cc2cccc(F)c2)CCC1 681261574 JZAGSNVVOYAZBY-KBPBESRZSA-N 425.388 5.564 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 726754296 CWQILXPTJIKYHQ-UHFFFAOYSA-N 426.545 5.105 30 20 IKED CC(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(OCC#N)cc1 727844714 IQGLIXMTUXAWJM-UHFFFAOYSA-N 434.367 5.654 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1NC(=O)NC(C)C 728028969 RIAIBKSPCPWGQD-UHFFFAOYSA-N 442.519 5.228 30 20 IKED CN(C)C1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2F)CC1 728257288 NYRUECKTTFUYFI-UHFFFAOYSA-N 442.538 5.147 30 20 IKED C#Cc1cccc(N(C)C(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)c1 728483225 QVJIWCAUWLYZFD-UHFFFAOYSA-N 449.293 5.052 30 20 IKED C[C@H](C#N)Oc1ccc(/C=C/C(=O)c2ccc(Br)cc2Br)cc1 728694819 KPRPUAPNRSAGEV-OXFRDRNISA-N 435.115 5.399 30 20 IKED N#CCN1CCC(NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)CC1 730504757 YQJJXXMLCPOLHX-UHFFFAOYSA-N 446.554 5.287 30 20 IKED CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 731978004 HQYPQWUXBLCJDO-UHFFFAOYSA-N 427.504 5.279 30 20 IKED C=CCN(CC1CCCCC1)C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 732643897 JQOWEWQTTLDIHI-UHFFFAOYSA-N 443.325 5.417 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=S)Nc2ccccc2Oc2ccccc2)ccc1OC 733208754 IQACLCVLCFPSAU-LJQANCHMSA-N 447.560 5.655 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccccc2OCc2ccc(F)cc2)ccc1OC 733231828 JLBVSIHQXXAUFF-NRFANRHFSA-N 448.494 5.024 30 20 IKED COc1cc(COC(=O)c2csc(C(C)(C)C)n2)ccc1OCc1cccc(C#N)c1 735137765 RNXMUBHLOQPYEX-UHFFFAOYSA-N 436.533 5.257 30 20 IKED CC[C@@H](Cc1cccc(Br)c1)C(=O)NCc1cccc(O[C@@H](C#N)CC)c1 735248760 FKUJIMQXAYZJKD-AZUAARDMSA-N 429.358 5.015 30 20 IKED CC(C)OCCOCc1cccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1 740444961 UHULWKJSXQNHFU-UHFFFAOYSA-N 449.576 5.550 30 20 IKED Cc1cnc(CON=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)o1 742350666 BJYKMBZBEVPGCO-UHFFFAOYSA-N 428.488 5.692 30 20 IKED COc1ccc(-c2ncc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)s2)cc1 742536866 CSZKFLXWKPTJRC-JOCHJYFZSA-N 425.513 5.726 30 20 IKED C[C@@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Br)s1 742537505 KXYUZNFCAWNCHQ-RDTXWAMCSA-N 425.351 5.908 30 20 IKED N#Cc1cc(NC(=S)NCCc2cccnc2)ccc1Oc1ccc(C(F)(F)F)cc1 743010965 KCBYICGIQDXEMT-UHFFFAOYSA-N 442.466 5.293 30 20 IKED C[C@@H](Oc1ccc(Cl)c(COC(=O)Cc2ccc(OCC#N)cc2)n1)c1ccccc1 744291276 SNBBLOLLMHSSNX-QGZVFWFLSA-N 436.895 5.063 30 20 IKED N#Cc1ccsc1NC(=O)COC(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1 745308881 WLEIXKIYDYLMKU-UHFFFAOYSA-N 436.455 5.022 30 20 IKED Cc1c([C@H](C)OC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)oc2ccccc12 747034308 UDKZRKGOPFDINZ-INIZCTEOSA-N 445.475 5.382 30 20 IKED COc1ccc(/C=C2\SC(=S)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1OCCCC#N 747473142 UBRNKPDMWYRLCG-TYGXSPLMSA-N 430.595 5.158 30 20 IKED C#CCN(Cc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1)[C@H]1CCc2ccccc21 750817180 KBPKLAIFTXNFAQ-QHCPKHFHSA-N 435.980 5.604 30 20 IKED Cc1ccc(C)c(-c2nn(CN3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c(=O)c3ccccc23)c1 751933469 VUMVTMBVXZEMOH-RRPNLBNLSA-N 448.570 5.410 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)OC(=O)Cc1cccc(OCC#N)c1 760466565 ZGCFGSDWJPQTOM-HNNXBMFYSA-N 426.925 5.521 30 20 IKED N#Cc1cccc([C@@H]2CN(Cn3c(=S)sc4ccc(C(F)(F)F)cc43)CCO2)c1 761298135 GGQLXZIMOMIGJW-KRWDZBQOSA-N 435.496 5.354 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)N[C@H](CCc3ccccc3)c3ccccc3)CCO2)c1 761669705 OUIIICUFLACTFH-FTJBHMTQSA-N 425.532 5.015 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)c3cc(-c4ccc(F)cc4)nc4ccccc34)CCO2)c1 762296847 TVRHVLFCPQKRSI-AREMUKBSSA-N 437.474 5.126 30 20 IKED C[C@@H](CC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 763367787 ATSIMPFFQVHXBD-IPMKNSEASA-N 445.629 5.693 30 20 IKED COC(=O)Nc1cc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc(C(F)(F)F)c1 763510784 LFYUZLTYRFGADG-CYBMUJFWSA-N 437.374 5.123 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1nc(-c2c(F)cccc2F)cs1 766852392 LNJFUCYCQSNFPT-QJPTWQEYSA-N 434.389 5.486 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1C#N 767857150 BLNUWNSWAYLVON-HNNXBMFYSA-N 446.429 5.167 30 20 IKED CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cc(Cl)ccc1OCC#N 768414082 DKQDTBJYCOLMEO-UHFFFAOYSA-N 449.363 5.378 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(N2C(=O)CN(Cc3ccc(C(F)(F)F)cc3)C2=O)cc1 771903003 HFCPHEPBNNDLDI-QFIPXVFZSA-N 449.432 5.330 30 20 IKED CCCOc1ccc2c(c1)CCN(C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)cc1)C2 772418681 SNYTULQGFMLYLQ-SANMLTNESA-N 425.532 5.721 30 20 IKED CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 777299218 AUBWFMWZVBHWMX-WHEQGISXSA-N 449.523 5.348 30 20 IKED Cc1ccc(C(C)C)c(OCCC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1 780302722 QRKFEKPGWXSDTG-SFHVURJKSA-N 449.576 5.353 30 20 IKED COc1cc(CN(C)C(=O)Nc2ccccc2O[C@H](C)C#N)ccc1OCc1ccccc1 780674900 IUPBTLQICRLEJW-LJQANCHMSA-N 445.519 5.229 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCC(=O)c3ccc4c(c3)CCC4)n2)cc1 783360817 IJSCKAACIOBNSL-NRFANRHFSA-N 430.529 5.147 30 20 IKED C[C@H](OC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc(C#N)cc1 786958996 GDZSYODNOANJRV-ZDUSSCGKSA-N 430.291 5.542 30 20 IKED C=CC[C@@H](NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccncc1 786985267 OELSARHIQWYVKQ-GOSISDBHSA-N 431.323 5.195 30 20 IKED C=CC[C@H](OC(=O)/C=C/c1cc2cnn(C(C)C)c2[nH]c1=O)c1ccc(Cl)c(Cl)c1 797566937 VYQLIIWSJRPDQH-XSBJJCPUSA-N 446.334 5.486 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 802040038 DVKRZCMLKCZREB-GJZGRUSLSA-N 446.372 5.378 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl 806677650 UJBPMNPFUAVUGG-SFHVURJKSA-N 435.742 5.292 30 20 IKED C/C(C=Nn1cnc2ccc(Br)cc2c1=O)=C/c1cccc(C(F)(F)F)c1 807960870 RXTPDDPTCSUHLQ-BRIAYNIWSA-N 436.231 5.115 30 20 IKED Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1ocnc1C1CC1 808035995 KUFWLLBRUWTOHU-IBGZPJMESA-N 448.504 5.387 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N[C@H]3c4ccccc4CC34CCOCC4)c2)s1 811882540 IODDCSKEVZPCFN-DEOSSOPVSA-N 443.572 5.180 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1 811895849 BBUSFMHLJUBZQQ-YTQUADARSA-N 443.613 5.160 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2SCc2cccs2)cc1 915086566 LCOCAKOLIFVXAJ-XMMPIXPASA-N 440.593 6.948 30 20 IKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1 915102576 YHTLTMUUVRPVPI-APWZRJJASA-N 435.574 5.055 30 20 IKED CCOc1ccc([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OCC 915350164 KJZLVVCFEMKXBR-CYFREDJKSA-N 443.547 6.022 30 20 IKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(Cc3ccco3)C2=O)cc1 916207123 VHHFOVAXVWACKI-OAQYLSRUSA-N 433.533 5.057 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 916902591 FWVYGQTWEBDZMS-FQEVSTJZSA-N 435.524 5.120 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl 916922877 JHYIWYGGNZNXKZ-JOZWUWCOSA-N 436.817 5.118 30 20 IKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C 916931668 VKDPHYVCYBGXEH-SFHVURJKSA-N 436.552 5.017 30 20 IKED CCc1nc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc([C@@H](C)CC)cc3)cc2nc1CC 916947572 NFYIJDMCWOBJCT-JXFKEZNVSA-N 428.536 5.229 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C)n1-c1ccccn1 916976729 FJOILDAVHHYPEH-IBGZPJMESA-N 432.936 5.756 30 20 IKED N#C[C@H](C(=O)[C@H]1COc2ccccc2C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997514 VHSHIPKSJUUSPX-CZUORRHYSA-N 429.328 5.544 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 917044981 VOMKEMXIQMKTDQ-INIZCTEOSA-N 441.940 5.464 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cccc(OC(F)F)c2)cs1 917559170 FIYSMSONTDSEJB-JXMROGBWSA-N 448.878 5.979 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(-n3cccn3)cc2)cs1 917560244 KDDMEYAZUCRKMQ-KPKJPENVSA-N 448.935 5.563 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@H](C)c3ccc(C(F)(F)F)cc3)n2)cc1 920144440 QTAANZXSHKLHBQ-IFXJQAMLSA-N 444.478 6.208 30 20 IKED CCCCCCCCn1c2ccsc2c2c1c1sccc1n2CCCCCCCC 1525646480 FQISWUZCIWFHKZ-UHFFFAOYSA-N 442.738 9.593 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)cc3F)cc2)CCC1 1790798056 OZYHRNYDVKAXAZ-UHFFFAOYSA-N 436.527 5.164 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c(-c4cccc(OC)c4)c3)CCC2)cc1 1791586443 VZULYIPEHHOJCR-UHFFFAOYSA-N 429.520 5.014 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)/C(C)=C/c2cccs2)[C@@H]1c1cccnc1 1802435211 BFALTKVHJYGLDJ-AOULRBNRSA-N 449.620 5.021 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(Cl)c(F)c3)C2)CC1 1805216679 KAUJLOBBNPIXHQ-UHFFFAOYSA-N 449.010 5.245 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4cccc(F)c4s3)n[nH]2)C1 1818594470 WZEJZPSMHHNFAG-GOSISDBHSA-N 438.528 5.036 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCCn2cccc2)n[nH]1 1819520761 AEXVQOVFIPQHOQ-NRFANRHFSA-N 439.604 5.066 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(C)(C)C)s3)CC2)C1 1823700639 ZSWCDIIAVXTBLR-HXUWFJFHSA-N 428.642 5.245 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)c2ccc(Cl)cc2)CC1 1823978058 TZMJIIINYSXKDC-SFYKDHMMSA-N 431.020 5.275 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sccc2Cl)CC1 1828826894 OIYVGVDAQSKBMM-QUCCMNQESA-N 435.033 5.403 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C23CCC(CC2)CC3)CC1 1828829249 GEVQVWTUNCQNNL-WDQRKIEDSA-N 426.645 5.345 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ccn(C)c23)CC1 1829066565 JLQQWESOHISMBK-XMMPIXPASA-N 449.639 5.404 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2nc3ccccc3n2C(F)F)n(C2CCCC2)c1C 10423783 ASLHFCOLZRBIAK-UHFFFAOYSA-N 443.523 5.567 30 20 IKED CCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2ccccc2Cl)cc1 10826011 YZGHYKSRPOSPLW-UHFFFAOYSA-O 430.380 5.894 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)sc1C)=C(/S)Nc1ccc(C)c(F)c1 11083308 XIWYXAMZACPLRC-UHFFFAOYSA-O 427.590 5.713 30 20 IKED O=C(/C(=C(\S)Nc1cccc2ccccc12)[n+]1cccc(O)c1)c1ccc2c(c1)CCC2 11127358 PRYICTAUVARBAC-UHFFFAOYSA-O 439.560 5.373 30 20 IKED Cc1ccccc1-c1nn(-c2ccccc2)cc1/C=C1\S/C(=N\C2CCCC2)NC1=O 21334227 OEBMVCMUWYZKRA-JCMHNJIXSA-N 428.561 5.350 30 20 IKED CC1CCN(C[C@H]2CCCN(C(=O)c3ccccc3Sc3ccccc3C#N)C2)CC1 60275813 HTQJMMRENUEBDB-OAQYLSRUSA-N 433.621 5.294 30 20 IKED CC(=O)Nc1cccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 63641468 MRENORACDNFVCC-KRWDZBQOSA-N 428.492 5.057 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1nc(-c2c(F)cccc2F)cs1 64715302 ANUGPKYQBRSEPT-OAHLLOKOSA-N 440.862 5.417 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 110068484 MVDDSINQBQYTPQ-UHFFFAOYSA-N 437.297 5.172 30 20 IKED C=CCOc1c(Br)cc(/C=C(/Cl)c2nc(O)c3ccccc3n2)cc1OC 206404294 NYXACTKVJUWYKB-XNTDXEJSSA-N 447.716 5.408 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 255935863 ZDXZJTJFIPOWJA-CQSZACIVSA-N 447.391 5.407 30 20 IKED C#CCOc1ccc(C(=O)Nc2c(C)cccc2-c2nc3cc(F)ccc3n2C(C)C)cc1 303963081 CHONZMXXOBOPBS-UHFFFAOYSA-N 441.506 5.996 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)CCc1ncc(-c2ccccc2Br)o1 410080419 DEQOMPFWSHZUIO-UHFFFAOYSA-N 443.316 5.391 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)c1-c1ccccc1 410395176 MTJSGEOYBWOHAT-UHFFFAOYSA-N 448.832 5.311 30 20 IKED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)nc12 429602234 XMQJIQBTFXTYRM-IBGZPJMESA-N 432.936 5.702 30 20 IKED CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 433266215 RTJFIQSWTORNRE-AREMUKBSSA-N 445.538 6.332 30 20 IKED O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)N1CC[C@@H](CC(F)(F)F)C1 434214717 RWGRDYXPZGUQNF-QMMMGPOBSA-N 430.299 5.023 30 20 IKED CC(CC(=O)Nc1ccc(C(C)(C)C#N)cc1)CC(=O)Nc1ccc(C(C)(C)C#N)cc1 435619167 WRVMJSOFOUAOEF-UHFFFAOYSA-N 430.552 5.282 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 437798594 LGKSEPQKLGDUCG-ZOCZFRKYSA-N 447.526 6.572 30 20 IKED CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 437828590 MOXZDDZHZXMOTF-QFIPXVFZSA-N 440.547 5.336 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2ccc(-c3ccccc3OC)cc2)cc1 437887755 JMGIMOIXCYXTOD-IBGZPJMESA-N 443.547 5.503 30 20 IKED CCCc1c(NC(=O)N(C)[C@H](C)c2nc3ccccc3s2)cnn1-c1cccc(C#N)c1 439672588 KIVFMXUFIZZLCL-MRXNPFEDSA-N 444.564 5.531 30 20 IKED CC(C)c1ncc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cn1 440972900 DVEDIJLSHIBNIJ-UHFFFAOYSA-N 449.942 5.368 30 20 IKED C=CCC[C@@H](NC(=O)N(C)Cc1ccc([S@@](C)=O)cc1)c1ccc(C(F)(F)F)cc1 441532216 GKNCGLRGHZSMNH-PRAQEBQASA-N 438.515 5.292 30 20 IKED CCCCc1ccc([C@@H](NC(=O)C(=O)Nc2cccc(C)c2C#N)c2cccs2)cc1 441597567 LIEZIBQEIGBUMZ-HSZRJFAPSA-N 431.561 5.115 30 20 IKED N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1cc(C(F)(F)F)ccn1 464419973 OLCMHJAFNZKRCP-KRWDZBQOSA-N 427.338 5.291 30 20 IKED Cc1nc(-c2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)cc2)n[nH]1 465429514 OJLDYIFRAWUADF-UHFFFAOYSA-N 443.894 5.137 30 20 IKED C=C(C)C[C@@H](C)C(=O)N1CCC(CCCC2CCN(C(=O)[C@H](C)CC(=C)C)CC2)CC1 467788804 KRSQHENHTVVZGL-DHIUTWEWSA-N 430.677 5.839 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 470644867 RSMHXFAMEWSRBD-UHFFFAOYSA-N 444.362 5.971 30 20 IKED Cc1nc2cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)ccc2o1 470829500 DDOSEQNPJUWHEA-UHFFFAOYSA-N 442.422 5.326 30 20 IKED C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 473551009 MMAHUHOTHPRVMY-WTPASJBYSA-N 432.545 5.116 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CC[C@@H](COCc3ccccc3)C2)cc1 479852988 RCQCNCIJCZFOLS-OAQYLSRUSA-N 428.557 5.388 30 20 IKED Cc1ccc(-c2noc(CCCNc3ccccc3Oc3ncccc3C#N)n2)cc1F 479954506 GYUJGEPVIDXXMN-UHFFFAOYSA-N 429.455 5.288 30 20 IKED Cn1cc([C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c2ccc(F)cc2)cn1 480805562 NTPPXTVCLKLBGN-XMMPIXPASA-N 441.466 5.134 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCCCC[C@H]3c3ccncc3)cc2F)c1 481687176 PHILAKIGMJJLRN-DEOSSOPVSA-N 444.510 5.821 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2nnc(CC(F)(F)F)s2)c1 484974188 VCOFNJMLVYGCDB-UHFFFAOYSA-N 438.818 5.213 30 20 IKED C=CCn1c(SCc2nc3cc(C(F)(F)F)ccc3o2)nnc1-c1ccccc1OC 488106886 GDAPRMYIGAHTNC-UHFFFAOYSA-N 446.454 5.592 30 20 IKED C=CCn1c(SCc2csc(-c3ccc(Cl)cc3)n2)nnc1-c1ccccn1 488905849 FJIWOMRKANREFR-UHFFFAOYSA-N 425.970 5.595 30 20 IKED C=CCn1c(SCc2nc(O)c3cc(Cl)ccc3n2)nnc1-c1cccc(Cl)c1 489625633 JTQZTZJGRPZXQU-UHFFFAOYSA-N 444.347 5.379 30 20 IKED Cc1ccccc1CN(Cc1cccnc1)C(=O)c1ccc(COc2ccccc2C#N)o1 490243990 LLMYILFELBKCBU-UHFFFAOYSA-N 437.499 5.276 30 20 IKED CCCn1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1C1CC1 498268061 LOOWCZCOIKYLQZ-UHFFFAOYSA-N 434.927 5.527 30 20 IKED CCc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cnn1-c1ccccc1 501449672 FBRTVYDYNQCZBG-UHFFFAOYSA-N 436.515 5.332 30 20 IKED CN(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 502052134 WPMRYTXTMAITIK-UHFFFAOYSA-N 434.883 5.350 30 20 IKED COc1cc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(C)c(OC)c1 503074094 KEMCPKOPAKBHKF-UHFFFAOYSA-N 431.492 5.415 30 20 IKED O=C(c1cnc(-c2ccc(F)c(F)c2)s1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 503130288 HLFISBFDOAIICY-UHFFFAOYSA-N 430.320 5.045 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)c3ccsc3NC(=O)c3ccccc3Cl)CC2)cc1 503838313 COIKOFOWNLYEIZ-UHFFFAOYSA-N 447.947 5.455 30 20 IKED COc1ccc([C@@H](CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1 505316843 DXIFHYOMTGIZRW-MHECFPHRSA-N 438.531 5.240 30 20 IKED Cc1ccc(C)n1-c1nc(CC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cs1 507885089 CGMHEFHRBPSFJK-UHFFFAOYSA-N 428.517 5.396 30 20 IKED N#Cc1ccccc1COc1cccc(CN[C@H]2CCCc3cn(C4CCCC4)nc32)c1 507911469 ZJASYNFQHFOFJQ-SANMLTNESA-N 426.564 5.616 30 20 IKED C[C@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1nc2ccccc2n1C(F)F 508558984 DDFLYPCIWPUBBK-INIZCTEOSA-N 446.457 5.373 30 20 IKED C=CCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 508876386 XJCKHHJQPLKGOJ-LJQANCHMSA-N 444.514 5.013 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1nc2ccccc2o1 509535401 DPTGZRJTWBOHCZ-ZDUSSCGKSA-N 430.773 5.176 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 509948229 ZAEXLZVLEZKPGR-NQIIRXRSSA-N 443.469 5.138 30 20 IKED COc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 510004915 KYIGDMPVAPKJOH-FQEVSTJZSA-N 435.911 5.334 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1Cl 510040195 ACSXJHVBPVGXBF-LADGPHEKSA-N 449.913 5.740 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(F)c(Br)cc3F)cc2)nc1 510163200 ABWQYFVQPZXAKQ-UHFFFAOYSA-N 430.208 5.039 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCCNC(=O)NC1CCCCC1 510250450 FFJYWGVCTXIUEH-UHFFFAOYSA-N 434.540 5.010 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc(OC)c1OC 510677109 BYRVBJDTWXAKRP-MRXNPFEDSA-N 447.491 5.259 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 510985298 RDFGRQWNHQEOAM-NRFANRHFSA-N 446.576 5.480 30 20 IKED CCCC1CCC(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 512990045 BQHDBSDMIIMWPX-RKOYOZNISA-N 437.971 5.409 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cc1 513845012 JYWHDNIVDDJJCS-UHFFFAOYSA-N 426.394 5.331 30 20 IKED C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl 519397757 UAZVXWPSGQVYNY-SNVBAGLBSA-N 435.785 5.699 30 20 IKED CC(C)c1noc2ncc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cc12 519434103 OQEWBRDCVISQAK-UHFFFAOYSA-N 434.443 5.623 30 20 IKED Cc1cc(Br)cc(C)c1N(CC(F)F)C(=O)c1cc(C#N)ccc1Cl 519659349 WQZLKLZHZQOAAC-UHFFFAOYSA-N 427.676 5.503 30 20 IKED C=CCOc1ccccc1CNC(=O)c1ccccc1SCC(=O)Nc1ccc(C)cc1 520337362 RAZZOOGFRKAWHH-UHFFFAOYSA-N 446.572 5.221 30 20 IKED CC(C)[C@@H](Oc1ccccc1Br)C(=O)Nc1ccccc1SC[C@H](C)C#N 520837197 MMELNNMEURKYCR-FOIQADDNSA-N 447.398 5.743 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H](C)c1cccc(C)c1C 522440563 RVYKISADVGIXEH-IBGZPJMESA-N 427.504 5.092 30 20 IKED C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 522456240 MTHJFJPBNXGGHD-YKSBVNFPSA-N 425.532 5.742 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21 522462512 URNHWXKRZWFOCT-VWLOTQADSA-N 425.532 5.671 30 20 IKED CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 524608981 BLFDMPPOAOQUBH-VWLOTQADSA-N 441.531 5.273 30 20 IKED COc1cc(C#N)ccc1OCC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccccc1Cl 525397785 SZNRJSXEFVZJMN-QHCPKHFHSA-N 441.314 5.158 30 20 IKED CC(C)C[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(Cl)cc1 525611548 SRHDZVKZTNDXPT-QFIPXVFZSA-N 425.960 5.270 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccc(C)n4C)n3)n2)cc1 536204780 RCSMMISVLAFWPH-MRXNPFEDSA-N 434.546 5.079 30 20 IKED COc1c(Br)cc(Cl)cc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 536604461 PFUULHVZZVNBHB-UHFFFAOYSA-N 446.732 5.304 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CNC(C)(c1ccccc1)c1ccccc1 537104600 IGMNLRPBMZOSNF-HXUWFJFHSA-N 429.589 5.573 30 20 IKED COc1cc([C@@H](C)NCC(=O)Nc2cc(Cl)ccc2C#N)ccc1OCc1ccccc1 538150132 JFXPBYLCTSMQII-QGZVFWFLSA-N 449.938 5.089 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CNC1(c2ccc(F)cc2F)CCCC1 538224215 QUZHMJZKGSYIOW-MRXNPFEDSA-N 429.536 5.357 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N(c2cccc(F)c2)C2CCOCC2)cc1 539620973 YDRHISFBQQYDJL-UHFFFAOYSA-N 430.479 5.102 30 20 IKED CC[C@@H](C)Oc1cc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccn1 539698807 AXCVHTODGAMSIV-GOSISDBHSA-N 431.561 5.353 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)cc1Cl 551305886 UUWQNHBPLTZDHH-HYBUGGRVSA-N 432.907 5.512 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCC(OC3CCCCC3)CC2)cc1Cl 551602223 HQDYUFSXPNRJAF-UHFFFAOYSA-N 438.955 5.958 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(Oc2cccnc2)c(F)c1 557727948 NEYKEFSMFYWRCY-INIZCTEOSA-N 436.512 5.729 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)[C@]2(Cc3ccc(Cl)cc3)C[C@H]3CC[C@H]2C3)CC1 558594180 HGMPOTDDZWAPDR-ISJBWFOZSA-N 433.983 5.168 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 558755584 POXLFDNFPKHIMF-LBPRGKRZSA-N 448.737 5.019 30 20 IKED CC(C)(CCC#N)CNC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 561731633 QQRXTNQBLYAHCA-UHFFFAOYSA-N 433.339 5.697 30 20 IKED O=C(Nc1cc(F)ccc1OCC(F)(F)F)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 569475231 NLWMLDPSMCUUJK-AWEZNQCLSA-N 428.348 5.353 30 20 IKED COc1cc(Cc2noc(-c3ccc(C(C)(C)C#N)cc3)n2)ccc1OCC(F)(F)F 589103208 GJLFGEAZQNDWLC-UHFFFAOYSA-N 431.414 5.078 30 20 IKED N#Cc1ccc(C[C@H](C#N)c2nc(Cc3cccc(OCCCc4ccccc4)c3)no2)cc1 589128202 NXNUXGKMVZQESW-RUZDIDTESA-N 448.526 5.394 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(-c3nc[nH]n3)cc2F)cc1 590537901 VOLKWIXUKCYPNH-UHFFFAOYSA-N 429.480 5.027 30 20 IKED CC(C)(C)n1cc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c(-c2ccccc2Cl)n1 595127211 GXSDSXKDTPXSSB-HNNXBMFYSA-N 446.860 5.862 30 20 IKED C=C1CCN(C(=O)c2ccccc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 595460230 QKIYURZHDRDWJZ-UHFFFAOYSA-N 435.376 5.516 30 20 IKED CC(C)CN(C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)c1ccc(C#N)cc1 603529885 PUVUGMBEAGONOL-UHFFFAOYSA-N 445.523 5.309 30 20 IKED CCN(CCC(F)(F)F)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 603581578 UHNHGVIQFYNJPD-UHFFFAOYSA-N 439.331 5.838 30 20 IKED COc1ccc(-c2csc(NC(=O)CSCc3ccc(C#N)cc3)n2)cc1Cl 603732063 UFFSZVMEPYJDEG-UHFFFAOYSA-N 429.954 5.216 30 20 IKED COc1ccccc1-c1nc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cs1 604504262 KBDMRHDBFPVIRA-UHFFFAOYSA-N 428.473 5.130 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cc(Br)ccc1Cl 608945334 GPXMUXYAHPRWTF-UHFFFAOYSA-N 443.753 6.378 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609062974 NOIHLBOTBFCRJA-INIZCTEOSA-N 431.879 5.068 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H]3c3ccccn3)cc2Cl)c1 609080154 VBHZTZPROKYWMF-QFIPXVFZSA-N 432.911 5.555 30 20 IKED Cc1ccccc1CN1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 609208686 FRSADASETQEEEB-UHFFFAOYSA-N 440.547 5.399 30 20 IKED CC1CCC(OC2CCN(C(=O)c3cccc(COc4ccc(C#N)cc4)c3)CC2)CC1 609643981 CDPXHZLMSSXYKX-UHFFFAOYSA-N 432.564 5.337 30 20 IKED C=CCCNc1cc(NC(=O)c2ccccc2I)ccc1Cl 610132153 PGSUHFRCKBIACG-UHFFFAOYSA-N 426.685 5.185 30 20 IKED C[C@H](NC(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1)c1cccc(C#N)c1 610355815 ZGUGADIUTNGREC-KSFYIVLOSA-N 434.337 5.471 30 20 IKED C=CCn1c(SCc2cccc(C(=O)Nc3ccccc3)c2)nnc1-c1ccc(F)cc1 614382823 QMGKSUGGUHSUFF-UHFFFAOYSA-N 444.535 5.815 30 20 IKED CCc1nc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(OC)cc4)cs3)cc2nc1CC 619756428 CFFDUJZPXUEVPS-SFHVURJKSA-N 442.544 5.377 30 20 IKED N#C[C@H](C(=O)c1cnc(-c2ccccc2Cl)s1)c1nc2cc(Cl)ccc2s1 622977425 OPQWKDZFYBRHFL-GFCCVEGCSA-N 430.341 6.217 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1 630032746 ZEYFAFWIAQSNBT-UHFFFAOYSA-N 428.851 5.002 30 20 IKED Oc1nc(CNc2cccc(C#Cc3cccs3)c2)nc2cc(C(F)(F)F)ccc12 641961234 GNPDPIWXVRZBBG-UHFFFAOYSA-N 425.435 5.428 30 20 IKED O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@H]1C[C@H]2CC[C@H]1O2 679995295 OLJBXXJFDISDFA-XQHKEYJVSA-N 435.286 5.011 30 20 IKED Cc1ccc(CN(C(=O)NCc2ccc(OCC#N)cc2)[C@@H]2CCc3ccccc32)cc1 727942171 XPXGRHUWGKLPLU-AREMUKBSSA-N 425.532 5.297 30 20 IKED C[C@H](C#N)Oc1ccc(/C=C(\CC(=O)O)c2nc3cc(C(F)(F)F)ccc3s2)cc1 730437950 WSHXIBOFVRYHRR-ZBQKXELDSA-N 432.423 5.621 30 20 IKED COc1cccc(C2CC(=O)C(=CN[C@@H](c3ccc(F)cc3)c3cccs3)C(=O)C2)c1 730971510 VFMSIUMELQVALY-LYIYLXCWSA-N 435.520 5.175 30 20 IKED N#Cc1ccccc1COc1cccc(/C=C(/Cl)c2nc(O)c3cc(Cl)ccc3n2)c1 731319929 SHCUUULCXXHSEX-SRZZPIQSSA-N 448.309 6.176 30 20 IKED CN(C)C(=O)Sc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1 731418718 GDBLSRLAPJBYLH-UHFFFAOYSA-N 435.480 5.516 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc3ccc(OCc4ccccc4)cc3[nH]2)c1 733787265 NCIKVBGMMYCLEW-QFIPXVFZSA-N 439.515 5.358 30 20 IKED O=C(/C=C\c1cccc(OCc2ccccc2F)c1)c1ccc(N2CCC(O)CC2)cc1 734235932 ZHFQRRBQVNYAQF-JYRVWZFOSA-N 431.507 5.262 30 20 IKED CC(=O)N(c1nc(/C=C/c2cc(Cl)n3c(nc4ccccc43)c2C#N)cs1)C1CC1 734306508 POVGCXAEAHWIPR-VOTSOKGWSA-N 433.924 5.155 30 20 IKED CCn1c(SCc2cc(Cl)ccc2OCC#N)nc2sc3c(c2c1=O)CCCC3 735230480 CNDNBXZNYKZNJT-UHFFFAOYSA-N 445.997 5.205 30 20 IKED CC(C)c1cc(C(=O)OCc2cc(Cl)ccc2OCC#N)c2cnn(C(C)C)c2n1 735339289 QATZLWGFIWUTOK-UHFFFAOYSA-N 426.904 5.048 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3cccc(Br)c3C2)cc1 735742318 DLJJDGDLJMGTDK-NRFANRHFSA-N 446.348 5.695 30 20 IKED FC(F)(F)c1cc(NN=C(CC2CCCCC2)c2ncccn2)nc(-c2ccncc2)n1 735977152 XILDHULNUNHXAM-UHFFFAOYSA-N 441.461 5.134 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)c3ccc(NC(=O)c4cccs4)cc3)c2)s1 739591106 ROPSCLZIBKAXAD-UHFFFAOYSA-N 443.553 5.531 30 20 IKED CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 741539912 WJIJZSGBGKBYHU-JOCHJYFZSA-N 431.923 5.842 30 20 IKED N#Cc1ccc(-c2ccc(OC(=O)[C@H]3CCCN(c4ncnc5sccc45)C3)cc2)cc1 742499253 VGKALNWVKAKBQQ-FQEVSTJZSA-N 440.528 5.052 30 20 IKED N#C[C@H](C(=O)C[C@H](Cc1ccccc1)c1ccccc1)c1nc2ccccc2n1C(F)F 744038619 XGLDEGAYRGBOOM-LEWJYISDSA-N 429.470 6.024 30 20 IKED Cc1cc(C(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)c(C)n1-c1cccc(Cl)c1 744856638 YWDYAPLHLJMONA-UHFFFAOYSA-N 432.867 5.026 30 20 IKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1c(Cl)cccc1Oc1ccccc1Cl 745551686 OPSIQNYOBFGRTE-FPTDNZKUSA-N 449.334 5.385 30 20 IKED CCCCCCNC(=O)[C@@H](C#N)C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 747111974 JHNZEKNXIYNBOM-INIZCTEOSA-N 438.380 5.065 30 20 IKED COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 747198924 OENWXHTUCXCRIY-ZDUSSCGKSA-N 449.960 5.766 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1 747406507 FGNANLQYNDDYFD-NRFANRHFSA-N 446.450 5.084 30 20 IKED C/C(=C\C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 748390767 WSDIVTHJBBDPGT-UTZKEFOASA-N 448.416 5.126 30 20 IKED N#CCC[C@@H](NC(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl)c1ccccc1 748571299 ZRFVGSVIFUKMAF-DLBZAZTESA-N 434.392 6.139 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cc1C#N 752194259 PNQKTXFRHWASGT-UHFFFAOYSA-N 440.912 5.464 30 20 IKED C=CCn1c(SCc2cccc(SC(=O)N(C)C)c2)nnc1-c1ccccc1F 753060137 DJQLDYFNTDLVNY-UHFFFAOYSA-N 428.558 5.336 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)CCCCc2ccc(Cl)c(Cl)c2)n1 753539758 RCJRFZQWGQSACQ-CYBMUJFWSA-N 425.337 5.216 30 20 IKED Cc1cc(C(=O)Nc2cccc3c2CN(c2ccccn2)C3)c(C)n1-c1ccc(C#N)cc1 757635499 SUKMKIYPGHCJCA-UHFFFAOYSA-N 433.515 5.133 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)o1 764312104 AUANWBKGUAUIDN-UHFFFAOYSA-N 447.838 5.126 30 20 IKED C=CCN(Cc1cccc(C#N)c1)Cn1nc(-c2ccncc2)n(C2CCCCC2)c1=S 764929678 JSNKFQVQZHCBEG-UHFFFAOYSA-N 444.608 5.499 30 20 IKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)/C(C)=C\c1c(Cl)cccc1Cl 766845589 FBSVYTSPTQFKIK-KLQCNHIUSA-N 447.318 5.110 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c(Cl)c1 770078818 DOWXWVMVTDELTO-UHFFFAOYSA-N 440.311 6.100 30 20 IKED COc1cc(C=NOCc2nc(-c3c(F)cccc3F)cs2)ccc1OC(F)F 774720060 UNZLUWSLVHXQPD-UHFFFAOYSA-N 426.391 5.249 30 20 IKED CN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1cccc(Br)n1 776377638 CMNXZXQTFTWUDP-UHFFFAOYSA-N 442.700 5.438 30 20 IKED C=CC[C@H](C(=O)OCc1csc(N(C(C)=O)c2ccccc2OC)n1)c1ccccc1 778417179 FJUWYJPZDHMNAC-FQEVSTJZSA-N 436.533 5.239 30 20 IKED CCc1noc(C2CCC(=NNc3ncnc4scc(-c5ccc(OC)cc5)c34)CC2)n1 778539937 HFWJOHUAAGYRRX-UHFFFAOYSA-N 448.552 5.438 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)ccc1OC 779102141 QTSAVGIRCZVCMR-GJZUVCINSA-N 434.511 5.403 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)OCc2nnc(C3CC3)n2C2CC2)cc1Cl 783179977 VFRZXMXPZAXASW-UHFFFAOYSA-N 434.883 5.165 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)/C=C\c1cc(Br)c(O)c(OC)c1 789887373 CMKWZQIEDSBBMN-KHPPLWFESA-N 430.342 5.667 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nc1 791508339 CYLFXYCTZQCHKR-QHCPKHFHSA-N 442.519 5.265 30 20 IKED CC(C)(C(=O)[C@@H](C#N)c1nccc2ccccc12)c1csc(-c2c(F)cccc2F)n1 797159963 NDKNGVHSOCLARX-INIZCTEOSA-N 433.483 5.791 30 20 IKED Cc1ncsc1-c1nc2ccccc2n1CC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797567824 MIJPDJHGNGVEKL-AWEZNQCLSA-N 435.578 5.099 30 20 IKED Cc1cc(CSc2ccccc2C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)on1 799445748 WANQKONUDOVNPJ-UHFFFAOYSA-N 433.411 5.298 30 20 IKED COc1cc(/C=C\C(=O)c2cnn(C3CCCC3)c2)cc(Br)c1OC(F)F 799897460 UTDAAZNJDHOCTM-SREVYHEPSA-N 441.272 5.267 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(Br)ccc2O)cc1 806201215 UKXHEVKPVPIBCZ-FQEVSTJZSA-N 436.309 5.132 30 20 IKED O=S(=O)(Nc1ccccc1)c1ccc(NN=Cc2cscc2C(F)(F)F)cc1 811641240 SUUPSPAWAHKJRL-UHFFFAOYSA-N 425.457 5.014 30 20 IKED C[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(N2CCCOC2=O)cc1 814350733 SOTMGHBDWVGPHJ-GOSISDBHSA-N 441.487 5.188 30 20 IKED CN(C)c1ccc(C2(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CC2)cc1 815913293 NSEGMMYRUHFBRQ-INIZCTEOSA-N 429.467 5.289 30 20 IKED CN(C)c1ccc(C2(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CC2)cc1 815913294 NSEGMMYRUHFBRQ-MRXNPFEDSA-N 429.467 5.289 30 20 IKED Cc1ccc(COc2ccc(C=Nn3c(S)nnc3COc3ccc(F)cc3)cc2)cc1 839415989 WSKKPDMTXZJODA-UHFFFAOYSA-N 448.523 5.055 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1 916916091 VCLMDCPGIYVLNY-OAQYLSRUSA-N 449.938 5.618 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cc1 916953465 CIVXJFSURVPGIK-IIBYNOLFSA-N 435.524 5.508 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(C=NN=C2c3ccccc3-c3ccccc32)cs1 917541173 RCYMNPDGLZNAQF-UHFFFAOYSA-N 440.503 5.819 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cs1 917562213 VYTBGPJCGLJIPL-WEVVVXLNSA-N 445.859 5.425 30 20 IKED N#Cc1ccsc1NC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12 919979612 ZVDRCGAEGMBWOU-UHFFFAOYSA-N 435.306 5.245 30 20 IKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2csc(-c3ccsc3)n2)cc1 920369000 GKMLISVSNKJASA-UHFFFAOYSA-N 441.607 5.336 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(N2CCOCC2)cc1 921117760 BYOGUNRQZZMWPQ-LJQANCHMSA-N 442.519 5.070 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Oc2ccc(NC(=O)c3cccs3)cc2)cc1OC 923878730 UWSWFTRRYAWKHB-QPEQYQDCSA-N 435.501 5.193 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3C(F)(F)F)CCC2)cc1 1785936675 DUAVSJNLCWBUFQ-UHFFFAOYSA-N 429.442 5.003 30 20 IKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)ccn1 1789752825 RGPAZVNBHICTDU-SFHVURJKSA-N 438.531 5.079 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3ccccc3)c(F)c1)C2 1798335933 ZEIUHZVVSSAKRH-UEQSERJNSA-N 446.566 5.513 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nc(C(C)C)cs2)n[nH]1 1816061844 GPPFWKPTAROMHI-LPHOPBHVSA-N 441.601 5.064 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C(C)=C/c2ccc(C)o2)n[nH]1 1819487664 LQKOQCZMBCAVAZ-XEPMYJLFSA-N 436.556 5.175 30 20 IKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCCCC(C)(C)C)[nH]n1)C(F)(F)F 1821995303 VNJZCTPRFGQVBU-QGZVFWFLSA-N 442.526 5.517 30 20 IKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(Cc3cccc(F)c3)c2)[nH]n1 1822405462 PFYSMVSZBVJEGV-QHCPKHFHSA-N 446.526 5.022 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)Cc2ccco2)CC1 1823755081 KULJWVKJNBJETI-OFNKIYASSA-N 428.617 5.070 30 20 IKED CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)CCCC1 1823844910 DYLZXMGVVYUAQC-NRFANRHFSA-N 442.003 5.025 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccn(C)c23)CC1 1828277912 DOEWWUKGLPDWNN-DEOSSOPVSA-N 449.639 5.404 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ccncc23)CC1 1828830113 LCQZAOAYGBKJTR-JYFHCDHNSA-N 445.607 5.237 30 20 IKED Cc1cc(Cl)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)c1 1832609830 JJMKOFAIQFNESI-DEOSSOPVSA-N 449.982 5.067 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2ccccc2)cc1 10170255 RPVDJNGFBKIIGL-UHFFFAOYSA-O 430.380 5.894 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccc3c(c2)CCCC3)c(C)s1 11153739 DZCBBQFWUTYBJK-UHFFFAOYSA-O 449.665 6.199 30 20 IKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(O)c2)c1 11268932 JOMZSXACYNUDEH-UHFFFAOYSA-O 432.352 5.346 30 20 IKED COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)c(OC)c1 15187875 ZAKQLPCZOSTMSE-WEVVVXLNSA-N 444.459 5.019 30 20 IKED Cc1cc(C)c(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccccc2)cc1C 15248063 HXIUANNHNYIJJA-UHFFFAOYSA-O 444.407 6.257 30 20 IKED COc1ccc(-c2nc(C)c(/C(O)=N/c3nc(CN4CCC[C@@H](C)C4)cs3)s2)cc1 28677837 GTRZGQFHMFFWEI-CQSZACIVSA-N 442.610 5.452 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)o1 59359192 OTUQHQWNFJJSFF-UHFFFAOYSA-N 443.528 5.360 30 20 IKED C=CCn1c(S[C@@H](C)c2ccc(OC(F)F)cc2)nnc1[C@@H]1COc2ccccc2O1 63415618 DXYJRHCORYFBFV-LIRRHRJNSA-N 445.491 5.431 30 20 IKED O=C(/C=C\c1ccc(OCc2ccccc2F)cc1)c1ccc(N2CCC(O)CC2)cc1 210162671 YJHRPNJFOGQMDR-AUWJEWJLSA-N 431.507 5.262 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccnn2[C@@H]2CCCc3ccccc32)o1 303101197 HTQGRPRKPLLHMG-JOCHJYFZSA-N 438.487 5.105 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccncc2)c1 303656286 LTTWWABEUUGSCS-VWLOTQADSA-N 439.902 5.918 30 20 IKED N#Cc1nc(Sc2nnc(-c3ccncc3)n2C2CCCCC2)ccc1C(F)(F)F 409711297 KLNYCJOXFFWTFD-UHFFFAOYSA-N 430.459 5.282 30 20 IKED CCn1cc(C(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)c(C(F)(F)F)n1 426945239 ZUSZZQZVBLHIKD-UHFFFAOYSA-N 449.273 5.134 30 20 IKED Cn1nc(-c2ccsc2)cc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 428072206 UELFVEWUYHTBRD-UHFFFAOYSA-N 430.558 5.565 30 20 IKED Cc1nc([C@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cs1 429171183 GOOYLJRDIZUMAT-DENIHFKCSA-N 436.968 6.129 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(c3ccncc3)CC2)cc1 429768292 SHWDTPROHCPCPI-UHFFFAOYSA-N 428.492 5.166 30 20 IKED C=CCC(C)(C)C(=O)Nc1ccc(NC(=O)c2ccccc2I)cc1 431385770 NDVASGMLETYYKP-UHFFFAOYSA-N 448.304 5.084 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N(CCc2ccccn2)Cc2cccnc2)cc1 431964894 JMIQODHTLVVJPX-UHFFFAOYSA-N 449.514 5.417 30 20 IKED CN(C(=O)C1(C#N)CCCCC1)c1ccc(NC(=O)C2(C#N)CCCCC2)cc1Cl 432315144 UBANRFRDAYIKTI-UHFFFAOYSA-N 426.948 5.189 30 20 IKED C=CCN(C(=O)c1ccc2c(ccn2Cc2ccccc2)c1)c1nc(C(=O)OCC)cs1 432728090 XVFWJEUUKOAAKN-UHFFFAOYSA-N 445.544 5.156 30 20 IKED N#C[C@H](C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1nc2cc(Cl)ccc2s1 434621453 SYYAVNRGEOFVGB-CQSZACIVSA-N 441.846 5.905 30 20 IKED CCCOc1ccc(C(F)(F)F)cc1NCc1cn(CCC#N)nc1-c1ccncc1 435128011 ZELWJANWHHUKRF-UHFFFAOYSA-N 429.446 5.278 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)nnn1-c1cccc(Cl)c1 437467603 NTXYVLULJBNKSL-UHFFFAOYSA-N 447.857 5.285 30 20 IKED COc1cc(CN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc(OC)c1 438666366 UKHFXKATSVQGKD-UHFFFAOYSA-N 435.455 5.171 30 20 IKED C=CCC[C@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)c1ccc(C(F)(F)F)cc1 442296279 UCJGTXQRYAFCBQ-QFIPXVFZSA-N 449.517 5.612 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(Oc3nncc4ccccc34)cc2)c2ccccc21 444339459 HTYGDQINKZZSPT-UHFFFAOYSA-N 447.498 5.933 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccnc(O)c2Br)cc1Cl 445203591 MZPQZODYCHIQGA-MRXNPFEDSA-N 442.700 5.111 30 20 IKED C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 460367622 BRJOUDNKFJOVNY-HXUWFJFHSA-N 426.549 5.344 30 20 IKED C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC(n2c(C)nc3ccccc32)CC1 460384359 GQTFJXJDOVMCNB-UHFFFAOYSA-N 430.556 5.231 30 20 IKED Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 464150333 LTDRVBXWNQSAPP-ROUUACIJSA-N 429.568 5.607 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@@H](c3ccc(Cl)c(Cl)c3)C3CC3)ccc21 469355311 OENAGATXUQIABL-HSZRJFAPSA-N 428.363 6.140 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(OCC2CC2)c1 472532354 IGQZOGITMIWUAK-MRXNPFEDSA-N 440.471 5.376 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1c1ccc(Br)s1 475557426 BHJRNXRVKTYWNQ-KRWDZBQOSA-N 433.415 6.732 30 20 IKED O=C(CCOCC(F)(F)C(F)F)Nc1nc(-c2ccccc2C(F)(F)F)cs1 480008803 ALSUPKGGVQKKJS-UHFFFAOYSA-N 430.345 5.075 30 20 IKED CN(C)C(=O)c1cc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)ccc1Cl 480724015 UVQGYFBTVPQYCB-UHFFFAOYSA-N 435.936 5.317 30 20 IKED CC(C)c1c(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cnn1-c1ccccc1Cl 485183986 SCIUKNSHVOZIMY-DENIHFKCSA-N 447.970 5.953 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3c(C)cc(C)cc3Cl)o2)cc1 489802532 CRELFBDMQUMPCD-HNNXBMFYSA-N 443.956 5.691 30 20 IKED Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 491722864 UKWGOUIUOHUVPY-UHFFFAOYSA-N 442.563 5.563 30 20 IKED C=CCN(CCc1ccco1)C(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C 496669157 GSYYXAQAQTWPFE-UHFFFAOYSA-N 432.524 5.353 30 20 IKED CCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)[C@H](C)c1ccc(C#N)cc1 497594021 ODVRXZRPSFVQIM-UTKZUKDTSA-N 448.617 5.442 30 20 IKED C=CC1CCN(C(=O)CC[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCC(C=C)CC2)CC1 498477884 QIJRNWKCSCLZDQ-HSZRJFAPSA-N 443.031 5.128 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 499377574 LPCFQLQWWRASIY-UHFFFAOYSA-N 443.894 5.110 30 20 IKED N#CCCn1cc(CNCc2ccc(-c3ccc4c(c3)CCCO4)cc2)c(-c2ccccc2)n1 500106681 DOUAQRIXGAYWCI-UHFFFAOYSA-N 448.570 5.746 30 20 IKED C[C@H]1C[C@H](C)CN(CCCCNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 502844873 NBGSCNWSLGXLSD-VXKWHMMOSA-N 448.611 5.211 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC2CCN(c3ccccc3)CC2)cc1 507597718 FVXBPGBQVLRSHZ-UHFFFAOYSA-N 427.573 5.249 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(=O)Nc1ccccc1Sc1ccccc1 507970157 GYQLYAUGASQRGM-UHFFFAOYSA-N 448.592 5.159 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(CCC(F)(F)F)cc2)cc1 508112412 BFJKRUPHYNBLJC-UHFFFAOYSA-N 438.449 6.079 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2OCc2csc(C)n2)cc1 508130750 HYKSOXZYGHJUTG-UHFFFAOYSA-N 447.560 5.097 30 20 IKED C[C@H](c1ccccc1F)N(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510208168 HQYOYXJQYCHFPF-CYBMUJFWSA-N 427.530 5.066 30 20 IKED COc1cccc([C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)N(C)C)c1 510505478 HAUWJVHMGVZRFH-VWLOTQADSA-N 444.535 5.092 30 20 IKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1cc(C#N)ccc1OCC 510857788 QPHHBAQFPWOXFT-UHFFFAOYSA-N 439.903 5.104 30 20 IKED CCN(Cc1ccc(OC)c(OC)c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 510859121 ZVWNVVKOWCAFFR-UHFFFAOYSA-N 445.519 5.730 30 20 IKED COc1ccc([C@H](C)N(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 511420666 LFKNDFGXONFKPH-IBGZPJMESA-N 429.520 5.565 30 20 IKED C=CCn1c(S[C@@H](C(=O)OC)c2cccc(Cl)c2Cl)nnc1-c1ccoc1C 514101749 ZKAVZXZNBMHHCA-MRXNPFEDSA-N 438.336 5.346 30 20 IKED Cc1coc(-c2cc(NC(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)ccc2C)n1 514747439 UXAUPMLRZAZIDH-UHFFFAOYSA-N 448.954 5.729 30 20 IKED C=CCn1c(SCC(=O)N[C@H](c2ccc(C)cc2)C2CC2)nnc1-c1cccc(C)c1 514955354 UIYOPMDDNQAVFJ-HSZRJFAPSA-N 432.593 5.108 30 20 IKED Cc1nc(COc2ccccc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cs1 519977860 CZTOBIAGRKMXRA-UHFFFAOYSA-N 441.512 5.947 30 20 IKED C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)c2)C1 521700773 UUVVQCRLCJBIJB-HFZDXXHNSA-N 446.595 5.003 30 20 IKED Cc1ccc(N(C(=O)c2cccc(OCc3ccccc3C#N)c2)C2CCCCC2)nc1 521716260 MLTHPIPFHUEYHI-UHFFFAOYSA-N 425.532 5.820 30 20 IKED CCCN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)[C@H](C)C(=O)Nc1ccccc1 522873961 ABZLKIMLNKDJSH-HXUWFJFHSA-N 441.531 5.017 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccccc2Cl)nc1)c1nc(-c2ccncc2)cs1 531335201 MLFCAONZXBVQBX-MRXNPFEDSA-N 432.892 5.536 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 532272359 CIILNACDSKHIRO-UHFFFAOYSA-N 433.558 5.899 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)NCc2cccc(Cn3ccnc3)c2)cc1Cl 534869066 QKAZVIDVCFLQJQ-UHFFFAOYSA-N 442.906 5.179 30 20 IKED CCCCCn1c(SCCCC2(C#N)CCOCC2)nc2sc3c(c2c1=O)CCC3 537509942 ZMAUKUWOSXGHJS-UHFFFAOYSA-N 445.654 5.330 30 20 IKED Cc1cccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c1F 538416665 FKZJJRQVRRVHFO-UHFFFAOYSA-N 431.311 5.610 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccs2)c1 538680812 QXBBDWVEGROGRK-UHFFFAOYSA-N 439.496 5.917 30 20 IKED Cc1sc2nc([C@H](C)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)nc(O)c2c1C 542004661 LJFWZUCHGHEWNA-CVEARBPZSA-N 428.561 5.964 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)c1ncsc1C(F)(F)F 549295400 QOFDJCJSIBEUSC-UHFFFAOYSA-N 436.349 5.790 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(CC#N)CC3)n2Cc2cccs2)c1 549571857 GVEJBMZQFHJUHR-UHFFFAOYSA-N 449.624 5.529 30 20 IKED O=C(Nc1cccc(O)c1F)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 551761430 UDWDAOAOUGDVMO-UHFFFAOYSA-N 433.283 5.007 30 20 IKED Cc1ccc(-c2nc(C(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)cs2)c(C)c1 552348169 JCUPZYAJQLDQCF-UHFFFAOYSA-N 435.524 5.121 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1 553371130 BGMXRBBPPRCWBB-UBFVSLLYSA-N 440.568 5.354 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)CCSc1ccnc2cc(Cl)ccc12 553414290 QPDCYUPSEBVOCV-UHFFFAOYSA-N 430.957 5.061 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 554174949 GZNOSZLYPNDGCN-UHFFFAOYSA-N 429.524 5.738 30 20 IKED N#Cc1cc(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cnc1C(F)(F)F 555159800 FJKBVRHMEHHQIL-IBGZPJMESA-N 434.421 5.015 30 20 IKED C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1csc2ccccc12 555237505 CIPNCYVSCBGYEE-UHFFFAOYSA-N 442.548 5.021 30 20 IKED COc1cccc(/C=C(/CC(=O)NCC#Cc2ccccc2)c2nc3ccccc3s2)c1 558292070 ALZTVPVRYMRWMC-XLNRJJMWSA-N 438.552 5.404 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 562168528 NYKHDHATHFISKX-ZLGUVYLKSA-N 425.554 5.407 30 20 IKED CCc1ccc([C@@H](C#N)NC(=O)c2oc3ccccc3c2CSc2ncccn2)cc1 564213249 PITNBQLQAYXUDP-HXUWFJFHSA-N 428.517 5.072 30 20 IKED CC(C)(NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1cc(C(F)(F)F)on1 576489488 GXDVVVCIWMKCRV-UHFFFAOYSA-N 429.398 5.217 30 20 IKED N#CC[C@@H](Cc1nc(-c2ccccc2-c2ccc(Cn3cccn3)cc2)no1)c1ccccc1 577538567 DBOUEDKDKPODOW-DEOSSOPVSA-N 445.526 5.888 30 20 IKED COc1ccc(Cl)cc1NC(=O)[C@H](C)SCc1ccc(C#N)cc1OC(F)F 583587615 UIVGNKKFWUNTLY-NSHDSACASA-N 426.872 5.082 30 20 IKED C=CCn1c(SCC(=O)N(C)CC(C)(C)C)nnc1-c1ccc(Cl)cc1Cl 588802845 MBWYTJLHIUGMII-UHFFFAOYSA-N 427.401 5.035 30 20 IKED Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 589367158 UOIXMLBPYPSLAZ-QFIPXVFZSA-N 430.512 5.235 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(C)C)c1 589809180 QGLMOCXXOSHBHL-FQEVSTJZSA-N 434.458 5.112 30 20 IKED N#C[C@@H](C(=O)c1cc2ccccc2n1Cc1ccccc1F)c1nc2cc(F)ccc2s1 592973187 AGXMNYJZIRKVSD-SFHVURJKSA-N 443.478 6.068 30 20 IKED C[C@H](NC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1)c1ccc(C#N)cc1 603755134 BJPDYOLQFBYHLJ-AOMKIAJQSA-N 435.321 5.318 30 20 IKED Cc1ccccc1[C@@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)NC(N)=O 603758927 PBONTFFUJOKMET-JTHBVZDNSA-N 446.938 5.042 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)cc1Cl 603759123 USURYASACDGGPL-UPVQGACJSA-N 446.934 5.806 30 20 IKED Cc1nn(-c2ccccc2)c2nc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)ccc12 604203305 VSFOVKYIVFLDEB-UHFFFAOYSA-N 446.470 5.040 30 20 IKED Cc1ccc(C)c([C@@H](C)N(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 604500555 RXXKAGNETJUHMP-OAQYLSRUSA-N 427.548 6.173 30 20 IKED Cc1csc(-c2cccc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2)n1 607009942 WCDBMGSCSZMTRD-HNNXBMFYSA-N 443.475 6.237 30 20 IKED Cc1ccc(C)c(Sc2ccc(NC(=O)Cn3cc(C#N)c(=O)c4ccccc43)cc2)c1 609026381 LVGFUVWSJMBAJC-UHFFFAOYSA-N 439.540 5.280 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N(Cc3cccs3)Cc3cccs3)o2)cc1 609055089 YJDYBTVDQOIEKV-UHFFFAOYSA-N 434.542 5.696 30 20 IKED CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)Nc1cc(C#N)ccc1OC(F)F 609083383 NTVOQQZNWWNPHE-UHFFFAOYSA-N 444.413 5.050 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC(C)C)cc1C(F)(F)F 609212743 TYAUMDHIVAUDQW-UHFFFAOYSA-N 433.474 6.054 30 20 IKED CCCN(C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@H]1CCc2ccccc21 609438280 JCJSOUFZBWAQCW-VWLOTQADSA-N 439.515 5.215 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 609508605 SRYIOEKJEZUXLG-BTRQGYIVSA-N 429.347 5.475 30 20 IKED CCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 609521443 GLQKNNUUVHUNOJ-GBXCKJPGSA-N 440.547 5.043 30 20 IKED C[C@@H](c1ccccc1)N1CCC(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 609711662 JQIAHFPBOUSEPN-IBGZPJMESA-N 441.535 5.093 30 20 IKED Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 609987847 JKOLZVKXRKFLAM-UHFFFAOYSA-N 426.520 5.248 30 20 IKED Cc1csc(-c2cccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)c2)n1 610048136 JYWDFPJGUIJORN-UHFFFAOYSA-N 425.513 5.822 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(NC[C@@H]4CCCO4)c(F)c3)cc2)cc1 610069575 PPGUQJHNDHXNQO-QHCPKHFHSA-N 445.494 5.527 30 20 IKED CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 610191657 SVIJBOGLQMICRS-UHFFFAOYSA-N 437.499 5.455 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N1CC=C(c2ccc(F)cc2)CC1 612805548 KBVCNXWCSKKHSD-GJZGRUSLSA-N 438.387 5.534 30 20 IKED COc1cccc(COc2cccc(NC(=O)N[C@@H]3CCc4cc(C#N)ccc43)c2C)c1 618762956 XUMNWDHQGRVOPN-XMMPIXPASA-N 427.504 5.263 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1 619290300 NMPVDXLQSZHWTM-QHCPKHFHSA-N 449.551 5.613 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc4sc(N5CCCC5)nc4s3)cn2)cc1 619429016 LQUOSVSYZLNIRK-UHFFFAOYSA-N 447.545 5.269 30 20 IKED O=C(Nc1ccc(OC2CCC2)c(F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 674025246 PEBPEWPVVVVVCX-PJXYFTJBSA-N 442.375 5.788 30 20 IKED Cc1c(Cl)cc(F)c(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1F 677781406 WLZSHKALTFPCDT-BRPSZJMVSA-N 438.746 5.958 30 20 IKED FC(F)(F)Cn1cc(-c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)cn1 685235984 BALPPMUKOPAAKA-UHFFFAOYSA-N 430.230 5.200 30 20 IKED Cc1cccc(NC(=O)Nc2cccc(CNC(=S)Nc3ccc(C#N)c(Cl)c3)c2)c1 726469610 OHPAAMZBUOFAEE-UHFFFAOYSA-N 449.967 5.651 30 20 IKED CCOc1ccc(Oc2cc(CNC(=S)Nc3ccc(C#N)c(Cl)c3)ccn2)cc1 726474048 SKEBQLSSZLNOKJ-UHFFFAOYSA-N 438.940 5.284 30 20 IKED CC1(C)Cc2cc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)sc2-c2ccccc21 726858468 LWVVCRYAKSDLJZ-INIZCTEOSA-N 434.948 5.863 30 20 IKED COc1ccc(NC(=S)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1Cl 726901703 CASGGUXEMRECHA-UHFFFAOYSA-N 439.943 5.759 30 20 IKED CCCCc1oc2ccccc2c1/C=C/C(=O)N[C@@H](C#N)c1cc(OC)c(OC)c(OC)c1 727646794 FAMZGPHAXSPBHF-SJFMBGHLSA-N 448.519 5.195 30 20 IKED CC(=NOCc1csc(-c2cnn(C)c2)n1)c1ccc(OCc2ccc(F)cc2)cc1 727757941 NGNNUWLEZRIURU-UHFFFAOYSA-N 436.512 5.203 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@@H](C)C(=O)N(CCC#N)c1ccccc1 728062923 RFLNVBXFSHAKRZ-NRFANRHFSA-N 438.531 5.193 30 20 IKED C[C@@H](OC(=O)CSc1ccc(C#N)cc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 728676746 ZYADAXKECJEDMR-GFCCVEGCSA-N 433.411 5.024 30 20 IKED N#C[C@H](C(=O)Cc1ccccc1Br)c1nc(-c2c(F)cccc2F)cs1 729190003 WWXHMGVMAJMCFV-GFCCVEGCSA-N 433.277 5.270 30 20 IKED CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 730167516 BCJUAOQAVATMBO-UHFFFAOYSA-N 439.830 5.323 30 20 IKED N#C[C@@H](C(=O)CCc1cc(Br)cs1)C(=O)Nc1ccc(Cl)cc1Cl 730686462 GOZRECPTNJMQQS-LBPRGKRZSA-N 446.153 5.098 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F 731114697 VGKZAUFVZCLPTD-HNAYVOBHSA-N 433.499 6.326 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CC3CCC(c4ccccc4)CC3)n2)cc1 731138216 YXSXPRILBDUHRK-HCPAQRILSA-N 425.557 6.222 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)c1nc2ccccc2s1 734218970 NQURGGHYOONOKJ-CYBMUJFWSA-N 448.361 5.657 30 20 IKED Cc1ccc(-c2ncc(C=Nn3c(S)nnc3COc3c(C)cccc3C)s2)cc1 734296409 KGKLXXXULCTQSL-UHFFFAOYSA-N 435.578 5.077 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)cc1OC 734406671 SWBYJIQIEJADSP-UFDIJAIZSA-N 447.556 5.220 30 20 IKED C[C@]1(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CCCN1C(=O)c1ccccc1 735205244 BJAAFYVJCKWZET-YADARESESA-N 449.963 5.335 30 20 IKED COC(=O)N(C)Cc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 735367207 OQTPPEVDKVKWIE-UHFFFAOYSA-N 444.491 5.501 30 20 IKED C=CCn1c(S)nnc1Cc1csc(NC(=O)C[C@@H](C)c2ccc(C(C)C)cc2)n1 738509254 IZIVXNMMVKAJNY-OAHLLOKOSA-N 441.626 5.056 30 20 IKED CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cccc(OCCCC#N)c1)c1cccc(Cl)c1 740817765 MNQGDEAALQWZCI-FQEVSTJZSA-N 443.931 5.227 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)cc1NC(=O)Nc1ccccc1 741429182 DDONMJTWONJJKP-FQEVSTJZSA-N 446.894 5.254 30 20 IKED C[C@@H](CCc1cccc(F)c1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 744029009 PREDLFSKBSRFFC-AVRDEDQJSA-N 430.479 5.534 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(C(=O)N(C)CC(C)(C)C)c2)cc1 744032727 IEQQZTHNAOZWRP-WZONZLPQSA-N 447.579 5.279 30 20 IKED C=CCN(CCc1ccccc1)Cn1nc(Nc2cccc(NC(C)=O)c2)sc1=S 744154094 YLQRUFNVQZNOHR-UHFFFAOYSA-N 439.610 5.064 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)ccc1OC 745819700 PALVIMWTLVJYBV-VFFGQJHTSA-N 441.959 5.226 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)N[C@H](CCC#N)c2ccccc2)cc1 747986618 UWOGGGJNWYOEBC-XMSQKQJNSA-N 436.556 5.117 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H](c3ccccc3)C3CCCCC3)CC2)c1 749178104 HPWOBUSUNGZPSV-RUZDIDTESA-N 444.579 5.240 30 20 IKED CCOc1cc(/C=C\C(=O)c2c(C)nn(CC)c2C)cc(Br)c1OC(F)F 750910374 RWEMPVUWNGBDGY-FPLPWBNLSA-N 443.288 5.179 30 20 IKED O=C(/C=C\c1cnc(-c2cccs2)s1)c1ccc(S(=O)(=O)C2CCCC2)cc1 751512922 HWFJIXKCJCNQDW-XFXZXTDPSA-N 429.588 5.484 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCc1ccc(Br)c(C)c1 751827484 STFQYCBAZSOLCX-LJQANCHMSA-N 441.369 5.163 30 20 IKED COc1cc(/C=C/C(=O)c2sccc2O)ccc1OCC(=O)Nc1ccccc1Cl 756620062 AXISNDUFKHCHLB-SOFGYWHQSA-N 443.908 5.029 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)CC(=O)c3ccc(Cl)cc3)n2)cc1 760202267 QDWGQFQRNOXKJE-IFXJQAMLSA-N 438.936 5.557 30 20 IKED C[C@@H](ON=Cc1ccccc1Br)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 760416642 KOHFJBAJARMFCB-SNVBAGLBSA-N 441.112 5.918 30 20 IKED COC(=O)C1C/C(=C/c2cccc3cnccc23)C(=O)/C(=C\c2cccc3cnccc23)C1 761487576 VHDXLPAEVVMTHB-YFBGDSSHSA-N 434.495 5.402 30 20 IKED C[C@H](c1ccccc1)N1CC(=O)N(c2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1=O 771819626 QPKIIOXLJKBSPD-VGOFRKELSA-N 429.907 5.525 30 20 IKED Cc1nc(NC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)sc1SCC#N 772067043 YEHPRFZQXBBESM-UHFFFAOYSA-N 436.566 5.801 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cccn1[C@@H](C)Cc1ccccc1 773772069 UZXROIXSTBPCJU-WMZHIEFXSA-N 427.548 5.378 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1C1CC1 774260631 RRSHWWCYRQPSDX-KPZWWZAWSA-N 431.319 5.079 30 20 IKED C#CCOc1ccccc1NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 776091798 XPSMNHKSODXWSG-OAQYLSRUSA-N 429.520 5.846 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 780152544 FGKGHSLIPKZLAP-KRWDZBQOSA-N 428.517 5.203 30 20 IKED N#C[C@@H](C(=O)COc1ccc(Oc2ccccn2)cc1)c1nc2cc(Cl)ccc2s1 780314626 JTLHHDOGETWTET-KRWDZBQOSA-N 435.892 5.392 30 20 IKED CCC1(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)CCN(C(=O)c2ccccc2)CC1 781102803 RUCQAFFXIRHYOY-UHFFFAOYSA-N 438.527 5.463 30 20 IKED Cc1cc(-c2nnc(COC(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)o2)c(C)o1 784104567 OQANBALIIWLJME-UHFFFAOYSA-N 429.432 5.276 30 20 IKED N#C[C@H](C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1nccc2ccccc12 792103709 KUJMGVGBNMQPBJ-HSZRJFAPSA-N 445.478 5.652 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1 806201308 WMVOEXTXPUWJMZ-CWTOASCOSA-N 437.543 5.378 30 20 IKED Cc1nc(Cl)c(Cl)cc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 808286208 DDXVFFOCYZIIGO-UHFFFAOYSA-N 426.303 5.594 30 20 IKED N#C[C@@H](C(=O)Cc1cscc1Br)c1nc2cc(C(F)(F)F)ccc2s1 815913151 JFXMCSDDYXUZNC-JTQLQIEISA-N 445.285 5.558 30 20 IKED Cc1ccc(O[C@@H]2CCN(C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)C2)nc1 858057662 BYYXSOCBGHNIHS-OAQYLSRUSA-N 433.895 5.001 30 20 IKED CC(=NNc1ncccc1C(F)(F)F)c1ccc(OCC(=O)Nc2ccccc2C)cc1 915050528 UKRHEFVLRFFJBF-UHFFFAOYSA-N 442.441 5.262 30 20 IKED COc1cccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1OC 915101712 KFRKYLNBNFRQGL-KRWDZBQOSA-N 426.925 5.290 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2)o1)c1nc2cc(C(F)(F)F)ccc2s1 915104378 PHXSXVWBBSJLAS-HNNXBMFYSA-N 441.434 5.779 30 20 IKED CC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1OC(F)F 915352808 KDJHLUXPNRXXRK-FGZHOGPDSA-N 435.474 6.216 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CCC[C@H]2c2nc3ccccc3s2)c1=S 915814358 XCGFZXFVQMPYNM-SFHVURJKSA-N 434.594 5.066 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 916882889 LUPTYISSRJLJSU-JOCHJYFZSA-N 444.874 5.626 30 20 IKED Cc1cc(Cl)ccc1O[C@@H](C)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916883015 FFYDCHNWJRTHMG-BLLLJJGKSA-N 438.883 5.078 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)COC(c1ccccc1)c1ccccc1 916905205 BLZKUFIRVGSQIK-XMMPIXPASA-N 440.543 5.265 30 20 IKED C[C@@H](C#N)OC(=O)c1cc(-c2cccc(Cl)c2)nc2nc(N3CCCCC3)sc12 917242112 SCFUSWCSKBNREC-ZDUSSCGKSA-N 426.929 5.071 30 20 IKED Cn1ccnc1COc1ccc(C(=O)/C=C\c2csc(-c3ccc(Cl)cc3)n2)cc1 917518263 XWQDAOJMXRCKFS-FLIBITNWSA-N 435.936 5.672 30 20 IKED Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)cc12 917716493 CEUHXIVIJCWXBO-UHFFFAOYSA-N 435.512 5.581 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3sccc3NC(=O)c3ccncc3)cc2)cc1 921035455 TUBLVJILNRUANR-UHFFFAOYSA-N 440.484 5.312 30 20 IKED Cc1csc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c1 1786487853 KWWSVENWSATUOK-UHFFFAOYSA-N 429.545 5.184 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cccc4ncccc34)CCC2)cc1 1791298654 NMHDUGHZXJSSCM-UHFFFAOYSA-N 435.474 5.194 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4sccc4F)CCC3)cc2)c1 1792123219 NYRVGNGUXWAKGS-MRXNPFEDSA-N 447.535 5.576 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2C2CC2)[C@@H]1c1cccnc1 1810177371 GDIMEHOLMSXXBH-JQYIIUTOSA-N 443.591 5.047 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(CCC)cc2)[C@@H]1c1cccnc1 1812029357 IMFGYRWPQQGLHQ-RPBOFIJWSA-N 447.623 5.346 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)[C@H]1c1cccnc1 1812898095 FOLLDGFJJBWDJU-OVSMBABESA-N 437.628 5.072 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3cnccc23)n[nH]1 1819128406 DKGGRZLWGPEFBD-XXBNENTESA-N 443.551 5.032 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(C)(C)C)cc2)[nH]n1 1821924406 ATMCDQLHHNWXKF-UTKZUKDTSA-N 438.572 5.105 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2)CC1 1829973939 QGHYZEPNBQOUBE-PKTZIBPZSA-N 429.004 5.342 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(F)c2)CC1 1830507153 LKDCQFUSXHHYKJ-BJKOFHAPSA-N 426.576 5.136 30 20 IKED Cc1ccc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)C4(C#N)CCC4)CC3)sc2c1 1830980227 PKKGSPFBEUXZRE-NRFANRHFSA-N 449.620 5.137 30 20 IKED N#CCCN(C(=O)CSc1nc2ccccc2c2nc3ccccc3n12)c1ccccc1 20861120 SZJFXPMVYOITAG-UHFFFAOYSA-N 437.528 5.075 30 20 IKED Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(CC#N)cc3)ccc2C)c(C)c1 23922833 JTQWORJRIIOTQM-UHFFFAOYSA-N 447.560 5.039 30 20 IKED C[C@H](OC(=O)c1ccc(COc2ccc3ccccc3c2)o1)C(=O)Nc1ccccc1C#N 24297760 YTTOPRWIUSXSQW-KRWDZBQOSA-N 440.455 5.067 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1ccncc1 26104583 VHCVSDGQYBBISG-UHFFFAOYSA-N 443.532 5.049 30 20 IKED CN(C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)c1cccc(C#N)c1 63324861 MWROLGTWGZNDOO-UHFFFAOYSA-N 446.513 5.504 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cc(Cl)ccc2Cl)=C(\S)Nc2c(C)cccc2C)c1 71793482 LKXRCMAFCMXRAF-UHFFFAOYSA-O 444.407 6.257 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1C(=O)c1cccs1 110485291 REARFPPGKHAOEN-UHFFFAOYSA-N 439.496 5.599 30 20 IKED CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 303879315 NTZCSAKBTXIKPR-UHFFFAOYSA-N 441.531 5.004 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)c1cccc(NC(C)=O)c1 409495698 YDMGXXDSPOLGLX-CQSZACIVSA-N 448.336 5.005 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C(C)C 430407797 JTTMXKLZZIRLNO-UHFFFAOYSA-N 444.318 6.294 30 20 IKED N#CCSc1cccc(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)c1 430738739 ZTYPHEWKYZZDHA-UHFFFAOYSA-N 429.423 5.761 30 20 IKED Cc1c(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)sc2ccc(C#N)cc12 430883224 PHMQFWYMRNSOPF-UHFFFAOYSA-N 432.332 5.099 30 20 IKED CC[C@](C)(NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1nc(C)cs1 437746089 MPAGWUCEKVUOOI-DEOSSOPVSA-N 434.565 5.544 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 438648860 KHLRKIQAWVTCNE-QFIPXVFZSA-N 431.467 5.867 30 20 IKED C[C@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)N(CCC#N)c1ccccc1 439651138 RPOHCFAYPAUFRB-SFHVURJKSA-N 428.467 5.237 30 20 IKED CCCc1c(NC(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)cnn1-c1cccc(C#N)c1 439661856 IJZJSDLILPLICU-HNNXBMFYSA-N 439.466 5.181 30 20 IKED C=CCN(C(=O)[C@@H]1SCCc2ccccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 443814010 GFABDRDLRSHXIQ-HXUWFJFHSA-N 437.546 5.268 30 20 IKED Cc1c([C@@H](C)NC(=O)c2cn(CCCC#N)c3ccccc23)cnn1-c1ccc(F)cc1 443948716 NTAQBJHJWUJDBG-QGZVFWFLSA-N 429.499 5.069 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(CCCO)[C@@H]3CCc4ccccc43)cc2)cc1 444035250 RDHXDCNPKKOTIU-RUZDIDTESA-N 427.504 5.254 30 20 IKED Cc1cc2cc[nH]c2cc1NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 444452096 ACMVKWHZGFABCL-UHFFFAOYSA-N 440.528 5.331 30 20 IKED N#Cc1cc2c(nc1NC(=O)c1ccc(-c3ccccc3OC(F)(F)F)o1)CCCC2 446006958 IWAWGVVGJZKGLX-UHFFFAOYSA-N 427.382 5.243 30 20 IKED COc1ccccc1[C@H](C)SCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 463215260 TUKDLRJLSYHLMI-IBGZPJMESA-N 433.577 5.466 30 20 IKED Cc1csc([C@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C2CC2)n1 466091326 FKQMBRNJGCZINA-JOCHJYFZSA-N 434.540 5.325 30 20 IKED C[C@@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)Oc1ccccc1F 466164122 INJUHSBSELRISW-SFHVURJKSA-N 433.483 5.060 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cc(Cl)ccc1NCc1ccccc1 466451217 GMNBYPMFXVCQLU-UHFFFAOYSA-N 434.927 5.113 30 20 IKED Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 468565680 NHGRKGORNWJHMN-KRWDZBQOSA-N 432.593 5.602 30 20 IKED CC(C)(OCC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)C(F)(F)F 468870942 GIDPXGLOAWCHNU-NSHDSACASA-N 425.291 5.173 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(Br)cc1OC 469326339 GWOPASYGKHUACO-HNNXBMFYSA-N 430.346 5.012 30 20 IKED Cc1cnc(C2CCN(C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)CC2)s1 470058462 OUHDZKKKZUBCEO-UHFFFAOYSA-N 437.952 5.789 30 20 IKED C[C@H]1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)[C@@H]1c1cccc(F)c1 470534063 XTCUHHZCJZZXDS-XDHUDOTRSA-N 434.515 5.024 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 476788451 BXPLNYYGBLMMCO-UHFFFAOYSA-N 440.590 5.653 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 476799847 RPSCXDJWIDMVOZ-ZDUSSCGKSA-N 435.387 5.120 30 20 IKED Cc1cc(F)ccc1CN(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 488088469 YBJCNPBWYYSALT-JOCHJYFZSA-N 449.913 5.040 30 20 IKED COC(=O)c1c(Br)ccc(NC(=O)c2ccccc2-c2ccccc2C#N)c1C 489640677 RWGSSRLSTXXFBM-UHFFFAOYSA-N 449.304 5.335 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 489650578 DVHIHQFGJBORAP-SFHVURJKSA-N 447.564 5.563 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N3c4ccccc4CC[C@H]3C)o2)cc1 489739468 DOJJSWIYADUEGD-IAGOWNOFSA-N 435.549 5.150 30 20 IKED CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 490449133 LURKPCKBHVENBU-NZQKXSOJSA-N 445.950 5.071 30 20 IKED COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cccc(OCc3ccccc3C#N)c2)c1 495773376 AHAAAPDYQRQZMI-VWLOTQADSA-N 442.515 5.132 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1F 498304031 NBEWRXWOEYBLLG-UHFFFAOYSA-N 428.379 5.198 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@H](c3cccc(F)c3)c3ccccn3)cc2)c1 499875361 XCWYTHIKWLSTDJ-RUZDIDTESA-N 438.462 5.796 30 20 IKED CCCCOc1ccc([C@@H](C)NC(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1OC 501417852 HBPZBTKWAYPCBB-GOSISDBHSA-N 441.597 5.036 30 20 IKED CC(C)OCc1cccc(NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 502254632 KLVSKENBTAPLPW-UHFFFAOYSA-N 439.566 5.271 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)cc1 505562757 WRMUISDAGVRCRY-UHFFFAOYSA-N 444.384 5.470 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 509563253 FDBGZNCXPQNNGI-UHFFFAOYSA-N 444.318 5.879 30 20 IKED CCN(Cc1ccccc1Cl)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511320662 NXRWWPIUDFNBSB-UHFFFAOYSA-N 433.939 6.039 30 20 IKED N#Cc1ccc(Cl)c(C(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)c1 511442882 GDOYAUIJQKAVNX-UHFFFAOYSA-N 426.907 5.053 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1CCC(NC(=O)C2CCCC2)CC1 512141654 YQMWAJSPIUQABJ-UHFFFAOYSA-N 445.563 5.463 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1nc(-c2ccncc2)cs1 512953165 QMHOTWQZXJQSII-KRWDZBQOSA-N 432.892 5.536 30 20 IKED N#C[C@H](C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1nc2ccccc2s1 513687129 MFIOGKKUFPUEPR-QGZVFWFLSA-N 428.473 5.307 30 20 IKED N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c(C(F)(F)F)c1 515709448 RUNFTLXXJCRMHN-INIZCTEOSA-N 449.281 5.410 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 515797150 HWDOLIDHMAEQAL-UHFFFAOYSA-N 446.503 5.223 30 20 IKED C=CCN(C(=O)Cc1csc(-n2c(C)ccc2C)n1)c1nc(-c2ccccc2)cs1 516462327 WBWQURDOPNHXFM-UHFFFAOYSA-N 434.590 5.436 30 20 IKED CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c(C)c1 517336066 HTTABFWVFCRZOB-QGZVFWFLSA-N 445.494 5.579 30 20 IKED N#CCCN(C(=O)CSc1nnc(-c2ccccc2Cl)o1)c1cccc(Cl)c1 517444666 YUXZKEQWTMYXJL-UHFFFAOYSA-N 433.320 5.082 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1c(Cl)ccc2cccnc12 517458942 CNDCRNHUHPLPQH-HNNXBMFYSA-N 442.009 6.154 30 20 IKED COc1cccc(C[C@H]2CCCN2C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 518388172 SRHWPLDQZKSRQF-HSZRJFAPSA-N 426.516 5.401 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3SC[C@@H](C)C#N)s2)cc1 518660880 FQRTZRXAUFOYOF-HNNXBMFYSA-N 437.590 6.021 30 20 IKED COc1ccc(C(C)(C)CNC(=O)c2ccccc2Sc2ccccc2C#N)cc1OC 520684249 BCPGGCDYWOXVAN-UHFFFAOYSA-N 446.572 5.434 30 20 IKED C[C@H]1CCCN(Cc2ccccc2CNC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 521810455 PMTHPMYBKFETPG-VQTJNVASSA-N 436.625 5.634 30 20 IKED C=CCc1ccc(OCC(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)c(OC)c1 524490713 PTFRJDGKIHZMIO-UHFFFAOYSA-N 447.969 5.097 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1NC(=O)NC(C)(C)C 524932268 WAMOXTWMGXNIHP-GOSISDBHSA-N 432.549 5.529 30 20 IKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)Cc1cccc(C#N)c1 530673176 GRWPOMHRBMPHNJ-UHFFFAOYSA-N 437.421 5.319 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 533998290 KTJYILWCOUVJHL-HNAYVOBHSA-N 447.507 5.288 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(N4CCCC4=O)ccc3Cl)cc2)c1 534082351 NPEMHMIRZRZIAQ-UHFFFAOYSA-N 445.906 5.170 30 20 IKED CC(C)c1c(C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)cnn1-c1ccc(F)cc1 534334061 DNQFTRITPPBCCQ-IBGZPJMESA-N 446.404 5.028 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](Cc1ccccc1)C(=O)OC(C)(C)C 534968712 VSPXZULYZRKENJ-YLJYHZDGSA-N 439.581 5.013 30 20 IKED CC(C)(C)c1cc(NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)c(C#N)s1 539175020 ILRGIMYAJDPJBJ-UHFFFAOYSA-N 436.002 5.123 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 539426788 SEFZZGFTBQWIRY-KNQAVFIVSA-N 432.911 5.203 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC(OCCc3ccccc3)CC2)cc1 540310351 SJOIUHPZCWKYQJ-UHFFFAOYSA-N 439.559 5.159 30 20 IKED Cc1cc(Cl)cc(C)c1Oc1ccc(Cl)cc1NC(=O)[C@H](C)n1cnc(C#N)n1 540602985 PHDHHSIQWUNZLU-ZDUSSCGKSA-N 430.295 5.065 30 20 IKED N#C[C@@H](NC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1)c1ccc(Cl)c(Cl)c1 544225518 VPMBSCMKDHDLSG-OXQOHEQNSA-N 431.367 5.181 30 20 IKED COc1cc(C#N)ccc1NC(=O)c1ccccc1Sc1ncnc2sc(C)c(C)c12 546709238 GTUAYRGEURJWCR-UHFFFAOYSA-N 446.557 5.592 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1Cl 550289524 BKUWQQNUMVMPTD-OAQYLSRUSA-N 446.894 5.494 30 20 IKED Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3sc4ccc(C#N)cc4c3C)C2)cc1 550471696 UMRZNHLSJDYOQO-LJQANCHMSA-N 446.576 5.064 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@H]1OCCc2sccc21 554205666 RAYFJPAVYWEDMC-WAIKUNEKSA-N 434.586 5.344 30 20 IKED C=C(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(C2CCOCC2)CC1 555263935 RCVKIZYRJPKOBQ-UHFFFAOYSA-N 431.584 5.021 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@H](c3cccc(OC(F)(F)F)c3)C3CC3)ccc21 560551857 GTWZVRLUIBTXDL-QHCPKHFHSA-N 443.469 5.731 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 564011400 UPCUYPFSINRNGO-LJQANCHMSA-N 448.375 5.205 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@]1(C)OCCc2sccc21 566590795 KJTWRSYZUBKBPI-DEOSSOPVSA-N 433.533 5.330 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1sc([C@H]2CCCOC2)nc1C 568658290 NYBOMHSIIWFFLC-FQEVSTJZSA-N 447.560 5.357 30 20 IKED C=CCN(C(=O)c1ccnc(-c2ccc(Cl)cc2)n1)c1nc(-c2ccccc2)cs1 570961179 NGUPIGZZUPGPHC-UHFFFAOYSA-N 432.936 5.753 30 20 IKED Cc1sc(C2(N[C@H](C)C(=O)Nc3ccccc3C#N)CCC2)nc1-c1ccccc1F 572140173 WQBIGKPBCWKRBT-OAHLLOKOSA-N 434.540 5.125 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H](c3cccc(F)c3)C2)cc1 578563383 YSHRDXBDPDULSK-LJQANCHMSA-N 431.467 5.520 30 20 IKED C[C@@H](Oc1ccccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(F)(F)F 578570793 GINKKVOFLLZMFR-CQSZACIVSA-N 430.382 5.312 30 20 IKED Cc1c(-c2nc(CC(=O)Nc3ccccc3C(F)(F)F)no2)ccc(C(F)(F)F)c1F 580258104 MWIVXGNUWOYASR-UHFFFAOYSA-N 447.310 5.403 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(Cc4ccc(F)cc4)s3)n2)cc1 589244846 RSGYYLVYPFPBGP-GOSISDBHSA-N 449.532 5.495 30 20 IKED COc1cc(-n2cccc2)c(Cl)cc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 592973403 FPTKNHFTXLGLHK-AWEZNQCLSA-N 425.872 5.378 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1 603637752 WJWPJMYMJUVRAY-UHFFFAOYSA-N 425.257 5.291 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1Cl 603758865 LRZABJWKLRRUBB-JOCHJYFZSA-N 447.922 5.079 30 20 IKED COc1ccc(CN(C(=O)c2ccc(COc3ccccc3C#N)o2)[C@@H](C)C2CC2)cc1 603953320 JQFXMMRHHMQDOR-SFHVURJKSA-N 430.504 5.180 30 20 IKED N#C[C@@]1(NC(=O)c2oc3ccccc3c2CSc2ccccc2Cl)CCSC1 604468002 GMHOYNQWAVSBSM-NRFANRHFSA-N 428.966 5.508 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)c3cccc(-n4nccc4C(F)(F)F)c3)n2)cc1 604533715 GKEACDRVBLSKQL-UHFFFAOYSA-N 439.422 5.139 30 20 IKED C=CCn1c(SCC/C=C/c2ccc(Br)cc2)nnc1-c1ccncc1 604930548 QUXKEKDOKLPKJK-HWKANZROSA-N 427.371 5.484 30 20 IKED CC[C@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)ccc1F 607233086 WZYLWALABIAORL-MAWWSGROSA-N 432.355 5.625 30 20 IKED C=CCn1c(SCc2ncc(-c3ccc(Br)cc3)o2)nnc1-c1ccco1 607759494 ITRIOUCCTMDXGV-UHFFFAOYSA-N 443.326 5.434 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(C(F)F)cc3)s2)c(C(F)(F)F)c1 608805463 XNUNSJCPPLNVGD-UHFFFAOYSA-N 437.393 5.814 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccccc3N3CCc4ccccc43)CC2)c1 609205225 LFAAKVOEUCIZGL-UHFFFAOYSA-N 438.531 5.328 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COc1cc(C(F)(F)F)ccc1Cl 609370721 RJBGRCCVEIVBNL-GFCCVEGCSA-N 428.863 5.628 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 609377006 OCKXIVXHIMCENY-MRXNPFEDSA-N 445.573 5.500 30 20 IKED C=CCc1cc(C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)cc(OC)c1OC 609698210 PZGIODDMZOXSPQ-JGCGQSQUSA-N 449.572 5.134 30 20 IKED C[C@H]1CN(Cc2cccc(NC(=O)c3ccccc3-c3ccccc3C#N)c2)C[C@H](C)O1 609976177 ZMIDQMAZWSKXTE-PMACEKPBSA-N 425.532 5.087 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)c1 610069281 ISCFXMZEOWASFY-JOCHJYFZSA-N 445.494 5.120 30 20 IKED N#Cc1cc2c(nc1SCc1ncc(-c3ccccc3Br)o1)CCCC2 610217419 GHPJTGOHARAGQJ-UHFFFAOYSA-N 426.339 5.542 30 20 IKED C[C@@]1(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCCN(C(=O)c2ccccc2)C1 610226163 SYHUUANEYFVBHO-HHHXNRCGSA-N 439.515 5.232 30 20 IKED CCCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 610379081 RJZQWFPLFAMHPZ-UHFFFAOYSA-N 449.457 5.006 30 20 IKED N#C[C@@H](C(=O)c1csc(Br)c1)c1nc2cc(C(F)(F)F)ccc2s1 642282067 IGPTWYAFKWSTDQ-VIFPVBQESA-N 431.258 5.629 30 20 IKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(C2CC2)C1=O 726421382 QEOHOSBYKVOSCG-ITUNBWHSSA-N 448.013 5.262 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@H](C)C(=O)N(C)Cc1cccc(F)c1 728063125 WPTDCNLNWDGDKZ-LJQANCHMSA-N 431.511 5.044 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1CNCc1ccc(OCC#N)cc1 729685479 WTWZTZUOTKBHBW-UHFFFAOYSA-N 449.769 5.392 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cc(Br)ccc3c2Cl)c1 729890432 ZVPPWDVJFOZGRV-AWEZNQCLSA-N 447.741 5.587 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2cc(Br)cs2)cc1 730686723 IGUFTHHBAQWASJ-SFHVURJKSA-N 433.371 5.133 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1Oc1ccccc1 731072160 YNRJDHULSOBDTK-SFHVURJKSA-N 446.528 5.669 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(N2CCCC2=O)cc1 731400976 ZMFGWSLUQRUHCZ-GOSISDBHSA-N 440.503 5.360 30 20 IKED CCCOc1nc2ccccc2cc1/C=C\C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 731769121 XMXXABUYLCMIEF-BIGNBACZSA-N 437.499 5.418 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2sc3cccc(C)c3c2Cl)ccc1OC 733229370 AWNMBYLPOPBTHR-HNNXBMFYSA-N 428.941 5.483 30 20 IKED CC[C@@H](OC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1cccc(Br)c1 733693188 TWYXHNQSIURXJZ-HXUWFJFHSA-N 443.341 5.170 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccccc1CN(C)C(=O)OC(C)(C)C 737002088 VVVSTMIAVXKBGO-UHFFFAOYSA-N 427.520 5.413 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)c1 739022561 JQBQAQFFEWBDGE-IRLDBZIGSA-N 445.485 5.823 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)CCc3cc(Br)cs3)c2)s1 739589818 DBSQMDDHPYBLDL-UHFFFAOYSA-N 431.380 5.360 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Cc3csc(-c4ccccc4Cl)n3)c2)s1 739600617 ZSQIKMSFSPZDNY-UHFFFAOYSA-N 449.988 5.923 30 20 IKED COc1cc(/C=C/C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2C)cc(OC)c1OC 743055951 OPOZZTQKSIKOAV-VMPITWQZSA-N 447.318 5.409 30 20 IKED CN(C[C@H]1CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(=O)OC(C)(C)C 743093222 PELCNTVNIIWTGM-PKTZIBPZSA-N 448.567 5.205 30 20 IKED C=CCCO[C@H](C)C(=O)Oc1cc2ccccc2cc1C(=O)Nc1cc(C)ccc1OC 743448995 GOVVZOKKBQFSEG-GOSISDBHSA-N 433.504 5.296 30 20 IKED N#Cc1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1C(F)(F)F 744371704 ZLPPKMUCTHGUCX-OAQYLSRUSA-N 436.389 5.284 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccccc2C(F)(F)F)c1 744762244 ZVIQKPBLQQTHMH-UHFFFAOYSA-N 434.487 5.479 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl 745268183 SLJDKJWFLCLZDC-GOSISDBHSA-N 446.403 6.064 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc(Oc2ccccc2)ccn1 745947627 HIOHHJKCFCXLPV-SFHVURJKSA-N 439.443 5.150 30 20 IKED C#CC[C@@H](OC(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(C)C 747195626 HWFNZLJIOSNURL-CRAIPNDOSA-N 440.590 5.277 30 20 IKED C=C(Br)CNC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 747909795 YNUIDBWDJWPVMS-MWENRILCSA-N 448.245 5.134 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2ccccc2)C(=O)N[C@@H]1c1cc(C#N)cs1 747960513 KPNFPMVOPIMRJI-JOCHJYFZSA-N 431.492 5.026 30 20 IKED CC(=NNc1nc(C)nc2sc(-c3ccccc3)cc12)c1ccc(N2CCOC2=O)cc1 748579196 BNOJEZWMEJHUPD-UHFFFAOYSA-N 443.532 5.459 30 20 IKED C=CC[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Sc1ccccc1)c1ccncc1 749724993 JWWBIBIYHPAJNC-LJQANCHMSA-N 437.952 5.258 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccccc2NC(=O)NC(C)C)cc1 750842327 MJCGADUMLUQSEH-UHFFFAOYSA-N 444.491 5.141 30 20 IKED Cc1[nH]c2ccc(Cl)cc2c1C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 751928216 RZPGMGXFMXRTID-ZDUSSCGKSA-N 441.940 5.320 30 20 IKED CC[C@@H](C#N)Oc1cccc(CN[C@H](c2ccc(F)cc2)c2cnc3ccccc3c2)c1 753678049 FWBPCYPFJXJMQH-RPLLCQBOSA-N 425.507 5.934 30 20 IKED C/C(=C/c1cccc(Cl)c1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 759208371 XEGBVWAOCJCPOM-JIHAQRTOSA-N 430.891 5.883 30 20 IKED Cc1cc(Sc2ccccc2)ccc1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 761843010 PWXJNYHSDHRRNX-XMMPIXPASA-N 429.545 5.623 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1 762412196 FZAOQVLGYFNSMK-LJQANCHMSA-N 442.462 5.192 30 20 IKED Cc1cc(/C=C2/CC(O)(C(F)(F)F)C/C(=C/c3ccc(C#N)c(C)c3)C2=O)ccc1C#N 766492333 WJWYQIFACIJZPC-KGIZCEIGSA-N 436.433 5.170 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(COC3CCOCC3)c2)cc1 767871064 YHQXJELTFFMEJC-SANMLTNESA-N 426.516 5.290 30 20 IKED CC(C)(C)OC(=O)NCc1cccc(NC(=O)c2cn(CCCC#N)c3ccccc23)c1 767906222 UDLVHBQBEQSHNK-UHFFFAOYSA-N 432.524 5.222 30 20 IKED C=CC[C@@H]1N(C(=O)Nc2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)CCCC1(C)C 770733325 UEFJWVNDNUHDEA-FQEVSTJZSA-N 445.608 5.054 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(N2C(=O)N[C@@H](c3cc(F)ccc3F)C2=O)cc1Cl 771820795 WAMXYRGQVWCKQC-RXVVDRJESA-N 437.833 5.071 30 20 IKED Cc1nc(NCC(=O)O[C@H](C)c2ccc(C#N)cc2)c2cc(-c3ccccc3)sc2n1 776092454 CTZMXGSAVATWPH-OAHLLOKOSA-N 428.517 5.255 30 20 IKED N#Cc1ccc(N2CCC[C@H]2C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 777303619 DMGICFXPZJXLJI-CTNGQTDRSA-N 432.936 5.180 30 20 IKED N#CCOc1cccc(NC(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)c1 779404315 RLNNIJUXHWDVGW-MRXNPFEDSA-N 442.235 5.167 30 20 IKED CC(=O)N(c1ccccc1)c1nc(C=NOCc2ccc(F)cc2Br)cs1 780288139 UFHAFBAZOYSPHB-UHFFFAOYSA-N 448.317 5.280 30 20 IKED N#Cc1ccc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2C(F)(F)F)s1 781376092 PGGLWSJPPANCLG-LJQANCHMSA-N 430.451 5.015 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)/C=C/c2ccc3ccc(Cl)cc3n2)c1C#N 782223240 LOUPROVLYROLSY-VAWYXSNFSA-N 445.935 5.319 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2cccnc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 783357615 JILSQKKTQPSPFC-AWEZNQCLSA-N 444.463 5.253 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 790933101 WOYUGDWSRHYGBX-UHFFFAOYSA-N 433.430 5.495 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](CCO)Cc2ccccc2)cc1Cl 799386682 CDWUQQINTCHIHI-FYYLOGMGSA-N 433.939 5.111 30 20 IKED CC(C)c1nnc(SCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)n1Cc1ccco1 809239286 BIZJVOSYFAQPLK-BKUYFWCQSA-N 436.581 5.016 30 20 IKED CCc1ccc(N(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C(C)C)cc1 813259689 ALMKMQOVRMJBCB-UHFFFAOYSA-N 432.524 5.027 30 20 IKED N#C[C@@H](C(=O)C1(Cc2cccc(F)c2)CCOCC1)c1nc2cc(Cl)ccc2s1 815913691 YXFXAAOWGNLNSL-KRWDZBQOSA-N 428.916 5.305 30 20 IKED COc1cc(C#N)ccc1OC(=O)CSc1ncnc2scc(-c3ccc(C)cc3)c12 858416772 CNYCUUFEWWEZSK-UHFFFAOYSA-N 447.541 5.245 30 20 IKED Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 914744623 XXFZYPFJFYGFPG-IMRBUKKESA-N 438.343 5.428 30 20 IKED N#C[C@@H](C(=O)CCCCc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1 916884206 SPIFGANQDSMQGW-SFHVURJKSA-N 433.733 5.163 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3)cc12 916899530 PSJKMKUTURLUNZ-GOSISDBHSA-N 434.908 5.010 30 20 IKED Cc1cc(C)c(C(=O)CCCC(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)c(C)c1 916938717 MSTDDDSTSLLIRT-QGZVFWFLSA-N 428.891 5.105 30 20 IKED N#C[C@H](C(=O)c1nc(NCc2ccco2)ncc1Cl)c1nc2cc(Cl)ccc2s1 917046530 KSLFQXURMWZQOI-GFCCVEGCSA-N 444.303 5.088 30 20 IKED CC(=O)Nc1cccc(C(=O)/C=C\c2c(C)nn(-c3ccc(Br)cc3)c2C)c1 917143244 FBJPNVVRKFGLQP-QXMHVHEDSA-N 438.325 5.106 30 20 IKED CC(=O)N(c1nc(C=NN[C@H](C)c2ccc(C(C)C)cc2)cs1)c1ccc(F)cc1F 917553265 YWGWUBDUIICQLE-OAHLLOKOSA-N 442.535 5.914 30 20 IKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2ccccc2c1 917702936 XJGBEFLDIZLSMQ-NRFANRHFSA-N 433.508 5.125 30 20 IKED Cc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(C)c1 918472288 WFOQPWFWOPBKSH-CJFMBICVSA-N 425.532 5.117 30 20 IKED Cn1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C(F)(F)F)n1 920110580 ODPNSHTZOOPIMF-JTQLQIEISA-N 445.253 5.359 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1ccc(C2SCCCS2)cc1 925496723 SNPHWAFWPAUJLG-INIZCTEOSA-N 447.647 5.377 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(NC(C)=O)c3)CCC2)cc1 1785842006 BINDHDAICWSRTL-UHFFFAOYSA-N 447.579 5.385 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccnc4ncccc34)CCC2)cc1 1786102921 FWGAIMOFWQMURX-UHFFFAOYSA-N 440.547 5.146 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cccc4ncsc34)cc2)CCC1)C(F)(F)F 1789344291 JJVYDJOLEHAYHM-UHFFFAOYSA-N 445.466 5.163 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CCC1 1790264737 MSFPSFDBDGSSMO-UHFFFAOYSA-N 426.944 5.071 30 20 IKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)CCCC(F)(F)F)CCC3)cc2)c1 1790795451 WQPCNIDITJSBRK-UHFFFAOYSA-N 443.469 5.347 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cc(OC)cc(C(F)(F)F)c3)cc2)CCC1 1790817639 PXEKMHRGQLUSBM-UHFFFAOYSA-N 432.442 5.038 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cnc4cccc(Cl)c4c3)cc2)CCC1 1790978677 CWKCBDGBSWJTMQ-UHFFFAOYSA-N 445.950 5.439 30 20 IKED Cc1ccc(-c2ncccc2C(=O)NC2(c3ccc(NC(=O)[C@@H](C)S)cc3)CCC2)cc1 1791574519 MDVBIXBLEURALW-GOSISDBHSA-N 445.588 5.123 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc4ccncc34)CCC2)cc1 1791730431 KDNGNRFCJRSGRN-UHFFFAOYSA-N 425.532 5.176 30 20 IKED C=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4scc(-c5ccccc5)c4[nH]2)C3)C1 1792502287 LOABKVHHXOPTGG-ACDBMABISA-N 445.588 5.114 30 20 IKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)[C@H](c4ccc(Cl)cc4)C(C)C)CC3)C2)C1 1804776419 XKOBVUUBQXUXDW-QHCPKHFHSA-N 443.031 5.277 30 20 IKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)Cc3c[nH]c4ccc(C)cc34)C2)CC1 1806881371 QSHHOGGJYUWNTE-UHFFFAOYSA-N 447.623 5.018 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ccn(C)c23)n[nH]1 1818721586 QUURNTLMYXUXNM-NRFANRHFSA-N 447.583 5.200 30 20 IKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(Cl)cccc3s2)n[nH]1 1818774752 CGXNHQGZIATHCW-INIZCTEOSA-N 428.945 5.160 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3[nH]ccc3s2)CC1 1823752105 LPXDZIJIFDANEA-FQEVSTJZSA-N 441.641 5.455 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)CC1 1831373334 CKBTXHBKPAHVGZ-YKSBVNFPSA-N 440.628 5.309 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(OC)c2C)CC1 1832537256 DFTRODBHJVDFOJ-VWNXMTODSA-N 438.612 5.005 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10760615 XKZFSUMLTZCAKW-UHFFFAOYSA-O 441.979 5.997 30 20 IKED C=CCn1c(S[C@@H](CCCC)C(=O)Nc2cc(C)on2)nnc1-c1cccc(C)c1 11810252 ZOUDSCNNBWXVSC-SFHVURJKSA-N 425.558 5.026 30 20 IKED Cc1ccc(-c2csc3ncnc(SC[C@H](O)COc4ccc(C#N)cc4)c23)cc1 11975654 FDMYZEHLSXMDNS-GOSISDBHSA-N 433.558 5.070 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1 24284050 WSPSSARYYUYOSE-UHFFFAOYSA-N 434.468 5.135 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)c1 195652811 UTQBLVOHHGSTRX-RUZDIDTESA-N 445.478 5.252 30 20 IKED CCOc1c(Br)cc(CN[C@@H](C)c2cccc(C#N)c2)cc1Br 237034208 JHEJCISSJSCMIJ-LBPRGKRZSA-N 438.163 5.333 30 20 IKED COc1ccc(CN[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)cc1OCCCC#N 237349290 GKAOBBIESMMRNW-GOSISDBHSA-N 435.593 5.969 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1 302594773 QBORMBNFQVQRIQ-UHFFFAOYSA-N 434.565 5.268 30 20 IKED N#C[C@@H](C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1nc2ccccc2n1C(F)F 434620942 NIXZMFJUHFHOQF-AWEZNQCLSA-N 440.356 5.387 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C3(OCc4ccccc4)CCOCC3)cc2)cc1 435059043 OCSUIJVRUVLSOD-UHFFFAOYSA-N 428.488 5.055 30 20 IKED CCn1ccnc1[C@@H]1CCCCN1C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 436005401 XCQJJXLTCLNVAX-FQEVSTJZSA-N 434.927 5.588 30 20 IKED CN(Cc1ccccc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)C1CCCCC1 437577620 FCBLWFPOEQMHNA-AHWVRZQESA-N 430.596 5.755 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@H](Cc4ccccc4)C3)c2)cc1 437742108 FIBMGXAHBDKPCB-HSZRJFAPSA-N 425.532 5.428 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 437841835 LVZPSALIPYUHBL-AZGAKELHSA-N 436.515 5.963 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@H](CCC#N)c1ccccc1 439658046 JTJUIVJNHIAHCY-LJQANCHMSA-N 437.952 5.737 30 20 IKED Cc1c(COC(C)(C)C)cccc1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 444911940 KIOJYGWSIUDFMR-UHFFFAOYSA-N 440.975 5.189 30 20 IKED N#Cc1cccc(-c2nnc(N3CCC[C@H]3c3ccc(Cl)cc3)n2C[C@H]2CCCCO2)c1 461847164 XNEVNDMMIRJUQG-PKTZIBPZSA-N 447.970 5.381 30 20 IKED Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 468162950 CMYOILJCRHSKDP-SFHVURJKSA-N 447.558 5.430 30 20 IKED C[C@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)c1cccc(SCC#N)c1 469299300 GXWBTJYYMXMSPC-KPZWWZAWSA-N 433.396 5.278 30 20 IKED N#CCCCn1cc(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c2ccccc21 469690565 MYDBDBJEZMYUCE-HNNXBMFYSA-N 446.498 5.440 30 20 IKED C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469972802 KXRXAEKFKZMHKY-OAHLLOKOSA-N 427.957 5.042 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3c(F)cc(F)cc3-c3ccccc3)C2)n1 471357040 LXMDGDMRJDVBEB-LJQANCHMSA-N 432.474 5.062 30 20 IKED Cc1nc2cc(C(=O)[C@H](C#N)c3nc4ccccc4s3)ccc2n1Cc1ccsc1 472500825 NGVFGZYUDPMBDF-KRWDZBQOSA-N 428.542 5.554 30 20 IKED N#Cc1ccc(C2(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)CC2)cc1 473628384 WZROGFTZWTWZBO-UHFFFAOYSA-N 427.891 5.333 30 20 IKED Cc1nc(CNC(=O)Nc2cc(C#N)ccc2OC(F)F)oc1-c1ccc(Cl)cc1 473788836 QRLVXJUMFUQBRH-UHFFFAOYSA-N 432.814 5.098 30 20 IKED C=CCC[C@H](NC(=O)N1CCSC[C@@H]1c1nccs1)c1ccc(C(F)(F)F)cc1 474016588 JGESZJKHIRCBPZ-DLBZAZTESA-N 441.544 5.669 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4nc(C(C)C)cs4)cc3)o2)cc1 474430433 IANGJRZEXADTRR-LJQANCHMSA-N 428.517 5.782 30 20 IKED C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)C[C@@H](CC#N)c1ccccc1 475644518 LSIBXLRISOYWSC-IUSZMWJPSA-N 429.383 5.436 30 20 IKED CC(C)N1CC[C@H](NC(=O)C[C@H](CC#N)c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 476604748 XUJIIROFPLLKJS-JKFKMHIGSA-N 427.951 5.207 30 20 IKED C=CCOc1ccccc1CNC(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21 477584358 CGZYLNYOYRBUNP-GOSISDBHSA-N 447.398 5.392 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)nnc1-c1ccccn1 481392183 SJAKKIDUTHZNQB-AWEZNQCLSA-N 438.944 5.007 30 20 IKED C=CCN(C(=O)c1ccc(Oc2ccc(F)cc2F)cc1)c1nc(C(=O)OCC)cs1 482262858 CLCSQSVBCLMZKY-UHFFFAOYSA-N 444.459 5.223 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4c(C(F)F)nn(C)c4s3)n2)cc1 483457195 VEQMHQIPEJMVAR-ZDUSSCGKSA-N 428.489 5.494 30 20 IKED CCc1c(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cnn1-c1ccccc1Cl 485341157 ARZFSFNNJXRJLW-UHFFFAOYSA-N 449.942 5.035 30 20 IKED Cc1nc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nn1-c1ccc(F)cc1 487059083 GWWGEBODLQSYFG-OAQYLSRUSA-N 445.885 5.276 30 20 IKED CCOc1ccc(-n2c(SCc3ccc(F)c(C#N)c3)nnc2-c2ccccn2)cc1 489399894 JGTANFKYBDZFTM-UHFFFAOYSA-N 431.496 5.031 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H]4CCC[C@@H]43)s2)c(C(F)(F)F)c1 496350313 URQINDLKDXAYKS-KDOFPFPSSA-N 434.487 5.421 30 20 IKED CCn1ncc2c(C(=O)N(Cc3ccco3)c3ccccc3C#N)cc(-c3ccccc3)nc21 501005465 ZVIHFABUCYLGJR-UHFFFAOYSA-N 447.498 5.430 30 20 IKED C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 502211314 DZKHWTBFUVSPCT-LJQANCHMSA-N 442.519 5.034 30 20 IKED COc1cc(C)c(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 502314952 FZSMIRKIHYWEJT-LJQANCHMSA-N 435.911 5.965 30 20 IKED C=CCOc1ccc(C(=O)N[C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)cc1OC 505814701 YNZPUYOOQHTEPK-OAHLLOKOSA-N 438.549 5.192 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(Sc3nnc(C)s3)cc2C)cc(OC)c1OC 505915196 JXYSHZJAMLKEHD-UHFFFAOYSA-N 441.578 5.304 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(OC3CCCC3)CC2)cc1Cl 506656852 WKECBDMOXGMFTQ-HSZRJFAPSA-N 437.971 5.951 30 20 IKED CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510007110 WBWBWLXXPCILBJ-IFMALSPDSA-N 435.980 6.598 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)nc2ccccc21 513691936 ICUNOKOKDUNTQZ-IBGZPJMESA-N 437.396 5.888 30 20 IKED N#Cc1c(NC(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)n[nH]c1C1CC1 515696629 UQDIDFOKEJFIKS-UHFFFAOYSA-N 441.260 5.105 30 20 IKED COc1cccc(Oc2ccc(CNC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cn2)c1 519897080 PXHVLPUYEJVIDU-UHFFFAOYSA-N 444.535 5.122 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)NC[C@@H](NCc1ccccc1)c1ccco1 521480262 WLTYUERMPSBFJE-HSZRJFAPSA-N 437.499 5.204 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 522082387 VYIJAEANBGWPNV-UHFFFAOYSA-N 449.938 5.471 30 20 IKED COc1ccc(Br)c(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1 522311999 ZKKPZGZDUXWXJJ-UHFFFAOYSA-N 437.293 5.161 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)NCc2ccccc2OCc2ccccc2)c1 522572742 KZEBVVPYADFEDC-UHFFFAOYSA-N 438.483 5.239 30 20 IKED C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](C#N)c1ccc(Br)cc1 523139438 UYZVYGURSUWCQD-YVEFUNNKSA-N 425.248 5.028 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(Br)sc1Br 523892295 KQYONRDYLKNEPI-UHFFFAOYSA-N 444.148 5.184 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc(Cn3cccn3)cc2)c1 523958804 HSQUANNEZPQOHS-UHFFFAOYSA-N 428.879 5.501 30 20 IKED C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 525412557 FLZIEGMPAIQKCW-OAQYLSRUSA-N 440.547 5.479 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 531770017 IHDNHNYMLCDTJT-UHFFFAOYSA-N 434.443 5.293 30 20 IKED Cc1c(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cccc1-c1ccccn1 534362387 FNHKWUYVOKPATP-MHZLTWQESA-N 433.511 5.631 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CCCn1c(=O)oc2ccccc21 534527410 KIBLWGDMHMLTAQ-UHFFFAOYSA-N 445.906 5.133 30 20 IKED C=CCN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1 535226528 NTHWWENGBOFZJC-UHFFFAOYSA-N 440.012 6.286 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)cs1 538727766 VOUUYUIYCSFKBR-DNQXCXABSA-N 430.577 5.408 30 20 IKED C=CCN(C(=O)Cc1cccc(OCc2cccnc2)c1)c1nc(-c2ccccc2)cs1 538845100 INWIAIRCGVRLMK-UHFFFAOYSA-N 441.556 5.546 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CNC1(c2ccc(F)cc2F)CCCC1 539334389 VANLSGHPMSUPPP-MRXNPFEDSA-N 429.536 5.214 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)N1CC=C(c2cccc3ccccc23)CC1 542428633 QVBAQPXMHGDGPY-UHFFFAOYSA-N 427.504 5.058 30 20 IKED N#C[C@H](C(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1)c1ccncn1 545447962 LWVJAHDPZQQSIP-HNNXBMFYSA-N 440.315 5.188 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](c2ccccc2C)C1 549253065 YFHZGXFTSPCGLP-CVDCTZTESA-N 436.531 5.020 30 20 IKED CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@H](c1ccccc1)c1ccc(F)cc1 550412061 DFRIZORNWJCRMP-HXUWFJFHSA-N 427.401 5.363 30 20 IKED N#Cc1cc(C(=O)Nc2ccc(OCc3cccc(F)c3)c(F)c2)cnc1C(F)(F)F 550668686 AQCOOGANCWKHOH-UHFFFAOYSA-N 433.336 5.082 30 20 IKED CC(=O)c1cccc(OCCCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1 590250059 RTUVSMBNWBPFQB-UHFFFAOYSA-N 428.488 5.138 30 20 IKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c12 592974048 MZKUVBBOEAFQGV-AWEZNQCLSA-N 447.520 5.244 30 20 IKED Cn1c([C@H](C#N)C(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)nc2ccccc21 595127181 CVYUBRAIQOCECK-MRXNPFEDSA-N 431.927 5.335 30 20 IKED CC(C)(C)n1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)c(-c2ccccc2Cl)n1 595127213 HJIDYTHNSOGAOV-GOSISDBHSA-N 428.923 5.997 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 603530275 FOMJDAYBINXXIM-UHFFFAOYSA-N 440.956 5.039 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1[N+](=O)[O-] 603613838 ZYIRAKRHHRXUAI-CYBMUJFWSA-N 448.287 5.524 30 20 IKED CC(C)c1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cnn1-c1ccccn1 603638346 LLVXPXHBQUFOHS-UHFFFAOYSA-N 437.503 5.094 30 20 IKED CN(Cc1ccccc1OC(F)(F)F)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603691887 XEAHAXKDCVCKAI-UHFFFAOYSA-N 442.397 5.308 30 20 IKED COc1ccc(CN(C(=O)c2ccc(COc3ccccc3C#N)o2)[C@H](C)C2CC2)cc1 603953317 JQFXMMRHHMQDOR-GOSISDBHSA-N 430.504 5.180 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(I)cc1 603969315 LDHFSIDSCAOAAH-UHFFFAOYSA-N 430.270 5.144 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1nnc(-c2ccsc2)o1 609060875 GHPTUIQEYGRTPP-UHFFFAOYSA-N 444.516 5.129 30 20 IKED CC(C)N(Cc1ccc(Br)cc1)C(=O)Nc1cc(C#N)ccc1OC(F)F 609083333 KSCZPCSVNZTKMI-UHFFFAOYSA-N 438.272 5.365 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 609306538 POCUEZHXMOPSGQ-GOSISDBHSA-N 441.462 5.651 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c12 609376906 LFZAUDOJVBCGJX-INIZCTEOSA-N 449.624 6.122 30 20 IKED CSc1ncc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)n1-c1ccc(F)cc1 609427803 NALIKNATAIVYKM-AWEZNQCLSA-N 426.542 5.380 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@H](c2ccccc2)c2ccncc2)c1 609722248 MHXUZAGCDFNHGI-RUZDIDTESA-N 439.902 5.918 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(C(=O)OC(C)(C)C)c1 611432000 HTLMZYNTHZWHRX-INIZCTEOSA-N 425.554 5.358 30 20 IKED CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)cc1 611467572 RRLYUBZWFAXLHQ-QGZVFWFLSA-N 432.549 5.044 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(SC)c2)nnc1-c1ccccc1F 613385730 ZMGMILDRJFTXTO-AWEZNQCLSA-N 428.558 5.111 30 20 IKED Cc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)[nH]c2c1C(=O)CC(C)(C)C2 614182596 BNCHRMDEKTWHEC-UHFFFAOYSA-N 441.531 5.376 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 618788564 XBHIZMHJBVZNON-OAQYLSRUSA-N 436.437 5.057 30 20 IKED CCOc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)ccc1OCCOc1ccccc1 642282209 UYEKKSYTUKQLJX-HXUWFJFHSA-N 442.471 5.174 30 20 IKED C=C(C)[C@H](CO)Sc1nnc(CNc2cccc(C(F)(F)F)c2)n1C1CCCCC1 677131190 LIYHYPXCPFQWLY-SFHVURJKSA-N 440.535 5.443 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC(F)(c2ccccc2)CC1 683977724 UCNPVHQWORAUGQ-ZSHCYNCHSA-N 440.403 5.566 30 20 IKED CCCCc1oc2ccccc2c1/C=C/C(=O)N[C@H](C#N)c1cc(OC)c(OC)c(OC)c1 727646792 FAMZGPHAXSPBHF-DRUFCSCSSA-N 448.519 5.195 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 728028446 JLKYCDHSKRNMCZ-UHFFFAOYSA-N 449.551 5.031 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(F)cc2nc(S)[nH]c12 728029138 XTRYLOJLMONCFL-UHFFFAOYSA-N 432.480 5.002 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCOCc1ccccc1 728119183 JVWSPQHTXGGYAX-UHFFFAOYSA-N 429.520 5.174 30 20 IKED CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 728464967 DGTOVHBBDJLOAX-DEOSSOPVSA-N 436.515 5.569 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCCC#N)cc1 728778905 VMZMAHBPFYGFPN-QFIPXVFZSA-N 448.592 5.266 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2c(Cl)cccc2s1 731066289 VFTXIKYTPIJIGO-ZDUSSCGKSA-N 444.965 5.744 30 20 IKED C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cccc(OCc2ccccc2C#N)c1 732022437 XRWYZQOALNVULH-KYTVRQNUSA-N 426.516 5.128 30 20 IKED O=C1/C(=C/c2cc(C(F)(F)F)ccc2F)NC(=S)N1c1ccccc1C(F)(F)F 733304604 LRZXJBXXCZZPKK-JYRVWZFOSA-N 434.336 5.126 30 20 IKED C#CCN(C(=O)Nc1ccc(OC)c(Cl)c1)[C@@H]1CCOc2ccc(Br)cc21 733614372 AWLNDDCSFMPSIL-QGZVFWFLSA-N 449.732 5.102 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2Oc2ccccc2)ccc1OC 733615074 QYBYYOSMCSQNNT-LJQANCHMSA-N 431.492 5.490 30 20 IKED C#CCN(C(=O)Nc1cccc(C(F)F)c1)[C@@H]1CCOc2ccc(Br)cc21 733631913 NJXRMAWEEVJOMT-QGZVFWFLSA-N 435.268 5.378 30 20 IKED Cc1nn(C)c(C)c1C(=NNc1ncnc2sc(-c3ccccc3)cc12)C(F)(F)F 733907116 LHTYZNYGSIGLEX-UHFFFAOYSA-N 430.459 5.087 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1ccc(N2CCCCC2)cc1 738297820 DINTUKOKPHLVEE-FQEVSTJZSA-N 436.625 5.142 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)/N=C\c1ccc(O)c(O)c1O 739426846 NOBWIIWCOCTYDA-INRAOFHCSA-N 433.327 5.178 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H](c3ccccc3)C3CCOCC3)c2)s1 740061080 LNAYMYWRBMYVAM-DEOSSOPVSA-N 431.561 5.254 30 20 IKED O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)c1ccc(S(=O)(=O)CC(F)F)cc1 741852691 RGPVVSNCKZIEHM-XFFZJAGNSA-N 436.476 5.489 30 20 IKED C=CC[C@H](NC(=O)N[C@@H](c1cccc(SC)c1)c1cc(F)ccc1F)c1ccncc1 745827163 HBBWXMDLPVSSBD-GOTSBHOMSA-N 439.531 5.788 30 20 IKED Cc1c(C(=O)/C=C/c2cc3cnn(C(C)C)c3nc2Cl)nnn1-c1ccc(Cl)cc1 747614571 IGXWKLQXYZAPRU-RUDMXATFSA-N 441.322 5.104 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccccc3Cl)n2)cc1 748011041 ZZGVKFBXBCLSLC-KRWDZBQOSA-N 426.925 5.508 30 20 IKED CCC(CC)c1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)N[C@@H](C)CC)cc1 749891525 SFYRSYXYHWRQAF-HNNXBMFYSA-O 442.649 5.471 30 20 IKED N#C[C@@H](C(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1)c1nc2ccccc2n1C(F)F 750691260 YJVZRROMQOOGAM-ZDUSSCGKSA-N 434.273 6.036 30 20 IKED COc1cc(/C=C\C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(OC)c1OC 750917951 ZLKRNOPXRDUULS-PLNGDYQASA-N 434.332 5.646 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(OC(C)(C)C)cc1 750969911 GSCSNOFQQJSKKR-INIZCTEOSA-N 426.538 5.054 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1ccc(F)c(F)c1)C(=O)Nc1ccccc1Oc1ccccc1 756232494 AZPCSEYITGCPEL-GOSISDBHSA-N 448.425 5.068 30 20 IKED CCCN(C(=O)c1ccc(CC#N)cc1)c1cccc(NC(=O)c2ccc(CC#N)cc2)c1 759841240 YHMNSJSUOYUWTC-UHFFFAOYSA-N 436.515 5.128 30 20 IKED N#Cc1c(F)ccc(/C=C(\Cl)c2nc(=O)c3ccc(C(F)(F)F)cc3[nH]2)c1Cl 761476828 KNILKQAEKMPIOX-XGICHPGQSA-N 428.172 5.343 30 20 IKED CCOc1ccc([C@H](NC(=O)Nc2ccc(F)cc2OCC#N)C(C)C)cc1OCC 761663737 AXZRMGKXJXHHEF-JOCHJYFZSA-N 429.492 5.044 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(O)(c2ccccc2)CC1 767671161 IPHJBFJATIIDAZ-UHFFFAOYSA-N 427.504 5.175 30 20 IKED CC[C@@H](c1ccccc1)N1CC(=O)N(c2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1=O 771819596 QFUCTOBKDLMZFN-VWNXMTODSA-N 443.934 5.915 30 20 IKED C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)Nc1ccc(F)cc1OCC#N 772437802 YLQWNZSDXNRPQQ-AVRWGWEMSA-N 429.495 5.339 30 20 IKED CN(C)c1ccc(N(Cc2ccccn2)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 776386990 GXRGIPNXEGUJJO-UHFFFAOYSA-N 449.514 5.054 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1ccnn1Cc1ccc(SC(F)(F)F)cc1 779490021 KNUXJLISPWQDTM-UHFFFAOYSA-N 449.458 5.084 30 20 IKED Cc1cc(SC2CCCCC2)ccc1NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N 783963948 JOFCTYPEALVHGE-KRWDZBQOSA-N 437.565 5.288 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 788348171 HHHVYXXVNIXTTE-CWRNSKLLSA-N 446.450 5.312 30 20 IKED COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)c(C)c1OC 794740180 SVGVDRPTMCRHHB-XYOKQWHBSA-N 436.533 5.358 30 20 IKED O=C(/C=C/c1ccc(Br)cc1C(F)(F)F)c1ccc(C(F)(F)F)nc1O 794937478 JEKPQJAMSGSKKX-GORDUTHDSA-N 440.137 5.483 30 20 IKED N#Cc1sc(Sc2nnc(-c3ccccc3F)n2Cc2ccccc2)nc1Cl 798216545 GHVAPCMRBMMCBB-UHFFFAOYSA-N 427.917 5.265 30 20 IKED CC(C)(COCc1ccccc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 800386672 LYKPLTIPZAAPQM-MRXNPFEDSA-N 432.467 5.734 30 20 IKED Cc1cc(Cl)c2ncc(C#N)c(NCc3ccc(N(C)C(=O)c4ccncc4)cc3)c2c1 801669742 GAMPKWNAMXMVME-UHFFFAOYSA-N 441.922 5.352 30 20 IKED Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccccc3N/C=C\C(=O)C(F)(F)F)o2)cc1 809684479 DEDVCYVAKDZIQN-XMXAVACDSA-N 445.397 5.020 30 20 IKED N#C[C@H](C(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1cc(C(F)(F)F)ccn1 813211298 HVXDBAPIEKCWKP-HRAATJIYSA-N 448.803 5.889 30 20 IKED N#CCCC[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F)c1ccccc1 815789987 UGYDLXUBTHNXLH-OAHLLOKOSA-N 437.899 5.145 30 20 IKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@H](C)c3cccnc3)C2=O)cc1 837518187 YISWHHNCEOZYRS-XMSQKQJNSA-N 444.560 5.112 30 20 IKED Cc1ccc(NC(=O)Cc2noc(-c3ccc(Sc4ccccc4C#N)cc3)n2)cc1 904250639 AATVQRNXFNJIEG-UHFFFAOYSA-N 426.501 5.249 30 20 IKED N#CCSc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 910905937 IFPSHYFQRHNGCN-HXUWFJFHSA-N 445.975 5.999 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(Br)s2)cc1 915350597 ZWAHHJBYFGWTSR-GOSISDBHSA-N 426.339 5.488 30 20 IKED Cn1ccnc1[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(F)cc1 915353641 VSSZLYDBSJPRPP-BJKOFHAPSA-N 439.494 5.126 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(NC(=O)C2CC2)cc1 915354189 WTZRMLZNUBWSFB-AVRWGWEMSA-N 438.531 5.573 30 20 IKED N#Cc1cccc(COc2cccc(/C=C3\NC(=S)N(c4ccccc4Cl)C3=O)c2)c1 915987843 LHWWPEPBAHYNTJ-BKUYFWCQSA-N 445.931 5.053 30 20 IKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)c1 916891471 UXTREAHIILKIHM-JARZOMNASA-N 436.920 5.438 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1sc(-c2ccccc2)nc1C 916901900 RYEYMZHBDWUQLK-OAHLLOKOSA-N 439.924 5.050 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cccc(F)c3c2COC)cc1 916950479 UALHGOFMSNEFGS-PBHICJAKSA-N 438.524 5.661 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3nc(NCc4ccco4)ncc3Cl)n2)cc1 916974028 DOYHMUSAJYIIGR-MRXNPFEDSA-N 449.923 5.257 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2oc3ccccc3c2C)cs1 917560030 QDWDYYRYVFMKHJ-XFXZXTDPSA-N 436.920 6.432 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(Cc3ccc(F)cc3)n2)cc1 920875346 VZQSMCNYHNZXPN-QFIPXVFZSA-N 449.551 5.106 30 20 IKED Cc1nc(O)c2ccc(C(=O)N(Cc3ccccc3)c3cc(Cl)ccc3C#N)cc2n1 1530346283 YFYOFMHVVQDQIA-UHFFFAOYSA-N 428.879 5.016 30 20 IKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccoc3C(F)(F)F)cc2)CCC1 1788726102 ZPRALOKYDFEYDE-MRXNPFEDSA-N 440.487 5.001 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5[nH]ccc5s4)CCC3)cc2)cc1 1790289989 IPJCFTZRJWOQNO-UHFFFAOYSA-N 440.528 5.163 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4c(F)ccc(Cl)c4F)cc3)CCC2)C1 1792156050 KJTZHSKJQSDCNA-UHFFFAOYSA-N 430.882 5.332 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1ccccc1C 1796473256 QYQULYBOZYZSCY-KAOXLYBCSA-N 443.591 5.077 30 20 IKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2C2CC2)[C@H]1c1cccnc1 1803088388 AJZYGHRDJNNZQN-OZXSUGGESA-N 443.591 5.047 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2sccc2Cl)[C@H]1c1cccnc1 1811087353 AVEMKECYWIMAHN-IEBWSBKVSA-N 446.016 5.109 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)c(C)cc2F)n[nH]1 1823202542 BRPFGNQWQZFSGN-HRAATJIYSA-N 442.510 5.071 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2c(C)c[nH]c2C)CC1 1824270090 FFBSXCQXSBISOH-XMMPIXPASA-N 441.660 5.176 30 20 IKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](S)C(C)C)CC1 1824538429 UFNJGLVKMIGCQJ-IFMALSPDSA-N 448.673 5.073 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)noc2C)CC1 1825766456 MQKGYHAQJQAARX-CVDCTZTESA-N 449.595 5.096 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(C)snc3s2)CC1 1827414674 JFZBTDMIJCNDOJ-BEFAXECRSA-N 445.654 5.112 30 20 IKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)CC1 1828168681 RVZSWSOJSLYRSI-SFHVURJKSA-N 444.000 5.092 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 1829069934 CLVGRYUKRSTRGT-AYVPJYCDSA-N 428.661 5.425 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2OCC)CC1 1829925548 QWTZBMHRZZOAPN-LADGPHEKSA-N 438.612 5.087 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC)cc2C)CC1 1830116290 KBJHTUAXZBJOJW-DEOSSOPVSA-N 440.628 5.229 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)oc2C(F)(F)F)CC1 1831371980 QTKJJENWPVHMLX-HNAYVOBHSA-N 440.506 5.052 30 20 IKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2oc3ccccc3c2C)CC1)C(F)(F)F 1831452564 IXNOKVDKSRCYQB-LJQANCHMSA-N 448.485 5.093 30 20 IKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)cc2Cl)CC1 1832608476 WLVGKVCGQXYFSA-HSZRJFAPSA-N 429.004 5.075 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1cccc(C)c1 22010877 NZFJAZWNEHGZDA-CQSZACIVSA-N 447.391 5.866 30 20 IKED Cc1cc(C)n(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)n1 60477678 ZYNAHCNCSCKTFN-HXUWFJFHSA-N 432.936 5.756 30 20 IKED C=C(C)COc1cc(/C=C(/C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)ccc1OC 60790396 JGILCQCWWDZUCJ-NVMNQCDNSA-N 432.442 5.421 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)nnc1-c1cccs1 216429647 DZRRUXWYRPGFDU-LLVKDONJSA-N 439.393 5.619 30 20 IKED CN(C)Cc1ccc(-c2ccccc2CNCc2cn(CCC#N)nc2-c2ccccc2)cc1 237078537 IGAVMSCDSWXUMD-UHFFFAOYSA-N 449.602 5.482 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H](C)SCC(=O)Nc2ccc(C)cc2)c1 303215275 SLKGHACCXDBAEP-IBGZPJMESA-N 448.613 5.331 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 303959053 BJNLSJNHCDXYGB-VXKWHMMOSA-N 426.472 5.172 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(Sc3ccncc3)cc2)c1-c1ccccc1 428519493 UWUPUWQLSWRGFA-UHFFFAOYSA-N 425.517 5.262 30 20 IKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 429597823 MRWBSEYQRHQTQC-UHFFFAOYSA-N 437.547 5.273 30 20 IKED COc1ccc(CN2C[C@H](c3cccc(C(F)(F)F)c3)O[C@H](C)C2)cc1OCCCC#N 430202990 HMBKPNRPDADSAF-UZUQRXQVSA-N 448.485 5.359 30 20 IKED CN(C(=O)CN[C@H](CCCC#N)c1ccccc1)[C@@H](c1ccccc1)c1ccc(F)cc1 433013075 WGALKARUUXCQQQ-VPUSJEBWSA-N 429.539 5.398 30 20 IKED CC(C)Oc1ccc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)cc1C#N 435444065 QFYYTOWNIXQFNI-UHFFFAOYSA-N 444.516 5.426 30 20 IKED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 436387699 MPXFSNCJXOEHDS-IERDGZPVSA-N 438.915 5.178 30 20 IKED C=CCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nc(-c2ccccc2)cs1 437367676 XPKNUOUAOFJIEK-UHFFFAOYSA-N 433.411 5.570 30 20 IKED C[C@H](O)CC(C)(C)CNC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 438526490 DRWZWDGRJHGFRZ-AWEZNQCLSA-N 435.446 5.288 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2cccc(Cn3cccn3)c2)cc1F 438662576 AJLSBQZNRVEHDZ-UHFFFAOYSA-N 441.466 5.056 30 20 IKED Cc1nsc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1C#N 439292769 BJVUGVPZHGOFKV-UHFFFAOYSA-N 433.924 5.011 30 20 IKED Cc1cc(C)c(NC(=O)Cc2noc(-c3cccc(Oc4ccc(C#N)cc4)c3)n2)c(C)c1 445332646 LJRQIGYIVDWFQA-UHFFFAOYSA-N 438.487 5.507 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCC(=O)c1cc(Cl)sc1Cl 446063093 WMIBYMZETBELHL-NSHDSACASA-N 427.378 5.908 30 20 IKED C[C@@H](C(=O)Nc1cc(C(=O)OC(C)(C)C)ccc1Br)c1cccc(C#N)c1 464356119 OHETUWNEACHLTE-CYBMUJFWSA-N 429.314 5.018 30 20 IKED C[C@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nc(C2CCCCC2)no1 464697336 VKDFQAFVFUYVNU-KRWDZBQOSA-N 430.508 5.059 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)C1(C#N)CCCCC1 466917894 GYXRFXKMOYRAQX-AWEZNQCLSA-N 432.387 5.532 30 20 IKED C[C@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C[C@H]1n1ccnc1 469697161 DZDYASOGWSUCCB-HTAPYJJXSA-N 449.942 5.102 30 20 IKED CCOc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 470067132 QUPAQBLRWOMBMP-DEOSSOPVSA-N 435.568 5.297 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCCC[C@@H]1c1nc2ccccc2o1 474241740 XKXXOTIFFMDJNE-YLJYHZDGSA-N 434.565 5.245 30 20 IKED CCOc1cc(Br)c(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1OCC 475110561 BRGSEOSJXRPGIL-MRXNPFEDSA-N 431.330 5.273 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 476077023 BTTGOBFMZPXPPP-UHFFFAOYSA-N 429.520 6.512 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)Nc1nnc(C(C)C)s1 481903594 YDHPUVVOKQDALI-UHFFFAOYSA-N 441.582 5.252 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N2C[C@@H](C)C[C@H]2c2ccc(C(F)(F)F)cc2)cc1 483012093 FEPKBSNWWUCSKU-YWZLYKJASA-N 431.458 5.236 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N(C(C)C)C1CCOCC1 489909270 VZLIAUBURGSJKP-UHFFFAOYSA-N 441.597 5.055 30 20 IKED C=CCN(C(=O)c1ccc([C@@H]2CCCOC2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 502573797 YJZPUNXYYZNBHH-HXUWFJFHSA-N 449.532 5.445 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(NC(=O)C2CC2)c1 502679621 MALADSSFWDINJL-UHFFFAOYSA-N 446.320 5.157 30 20 IKED N#C[C@@H](NC(=O)c1ccccc1Sc1ccc(Br)cn1)c1ccccc1F 505922643 JVIUENRYIXSGHO-QGZVFWFLSA-N 442.313 5.129 30 20 IKED CC(C)Cn1cc(NC(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)c(C(F)F)n1 507180224 ODXAFZQLFBVCQD-AWEZNQCLSA-N 426.336 5.180 30 20 IKED C[C@H]1CCC[C@H](OCc2cccc(NC(=O)N3CCN(c4ccccc4C#N)CC3)c2)C1 508274589 MZWAHLLLZMYPJW-RDPSFJRHSA-N 432.568 5.008 30 20 IKED COc1ccccc1SC[C@H](C)CNC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 508406023 YMACENNQOIDKQK-LJQANCHMSA-N 425.598 5.163 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](c1cccs1)N1CCCC1 510504419 AETBPPGUGCEVNP-HSZRJFAPSA-N 446.576 5.679 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1 510987694 SMVOUJSCKZVCFZ-UHFFFAOYSA-N 432.351 5.472 30 20 IKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[C@@H](C#N)c1nc2ccccc2n1C 513676484 GCQIUVASZBVJJM-GFCCVEGCSA-N 425.275 5.334 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1nc2ccccc2s1 513692367 MTUHWQMMIRUDOE-MRXNPFEDSA-N 439.418 5.992 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Sc1nc2c(c(-c3ccco3)c1C#N)CCC2 515163278 LAJKTXGKIFKIIF-QGZVFWFLSA-N 445.588 6.253 30 20 IKED C=CCN(C(=O)c1cc(C2CC2)nc2onc(CCC)c12)c1nc(-c2ccccc2)cs1 516070071 VLXJXBVVOOWFDM-UHFFFAOYSA-N 444.560 6.009 30 20 IKED CC(C)Oc1cc(Br)ccc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 516713833 KMENYWHRRCBWLS-AWEZNQCLSA-N 448.267 5.471 30 20 IKED C=CCN(C(=O)Nc1ccccc1-c1cccs1)[C@@H](C)c1cccc(-n2cnnn2)c1 517528638 AVZBMLMPJCZFEV-KRWDZBQOSA-N 430.537 5.172 30 20 IKED C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(Br)cc1C(F)(F)F 518502070 JLYLBBRDSBZADW-LIRRHRJNSA-N 425.292 6.554 30 20 IKED N#C[C@@H](C(=O)c1sccc1OC(F)F)c1nc(-c2ccc(Cl)cc2Cl)cs1 519252545 NZTPZCPFHMHIPU-JTQLQIEISA-N 445.299 6.270 30 20 IKED N#CCCCOc1cccc(NC(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)c1 519268323 CMXFXFBHGDEPPH-QHCPKHFHSA-N 438.499 6.119 30 20 IKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1cccc2ncccc12 520834023 RCFBTDPZOZQNND-AWEZNQCLSA-N 444.482 5.698 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H]1c1cccc(Br)c1 521685312 UUMZCOGCUDMPEP-SFTDATJTSA-N 426.358 5.044 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)COc3ccc(Oc4ccccn4)cc3)cc2)c1 521792026 IRHFFFSPDBNTSH-UHFFFAOYSA-N 437.455 5.555 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1Cl 522740920 SSEWHLCPKFYYIT-LJQANCHMSA-N 440.286 5.738 30 20 IKED Cc1ccc(C)c([C@@H](C)N(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 523420831 CEOOXACJJNAOEF-OAQYLSRUSA-N 427.548 6.173 30 20 IKED C=CCC[C@H](NC(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2)c1ccc(C(F)(F)F)cc1 533088179 NQSKWIQRGDBAGQ-LIRRHRJNSA-N 431.458 5.268 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)cc1Cl 533798592 SDYYXJVXFRYDDH-JOCHJYFZSA-N 429.907 5.140 30 20 IKED CCN(Cc1ccccc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)C(C)=O 536410499 SVCAACPCSXHGQL-UHFFFAOYSA-N 447.922 5.625 30 20 IKED CC(C)n1cnnc1C1CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 536416234 GSCDXLPPJLENIZ-UHFFFAOYSA-N 449.942 5.196 30 20 IKED CC(=O)N(CCc1ccccc1)CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 536420964 QJLRPXFGAXSCKN-DEOSSOPVSA-N 445.950 5.025 30 20 IKED CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 537840897 JRSANIJWHQLYAY-IQGLISFBSA-N 447.510 5.368 30 20 IKED COc1ccc(CN(Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H]2CCCC[C@@H]2C)cc1OC 537854162 ALKONCOGTWABNW-PGRDOPGGSA-N 446.551 5.206 30 20 IKED N#CC1(c2ccc(C(=O)N3CCCC[C@@H]3C(=O)Nc3cc(Cl)ccc3Cl)cc2)CC1 540733772 YMWJAVNEQNDJTH-HXUWFJFHSA-N 442.346 5.182 30 20 IKED Cc1nc(C)c(C(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1 542159809 IOUKZHRQBPLGJN-LBPRGKRZSA-N 434.258 5.362 30 20 IKED N#CCC1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc(Cl)cc2)CC3)CC1 542912329 WQJASWPBJIKFAH-JZJYNLBNSA-N 441.962 6.141 30 20 IKED CC(=O)N(c1nc(CN[C@H](C)c2ccc(C#N)cc2)cs1)c1c(C)cc(C)cc1Cl 548936656 WZJOMCJQUGBUDU-MRXNPFEDSA-N 438.984 5.820 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2oc3ccccc3c2CSc2ccccc2Cl)n1 549364315 CAECVMQWOFGPED-OAHLLOKOSA-N 438.961 6.634 30 20 IKED C=CCn1c(-c2ccc3ccccc3c2)nnc1N(C)Cc1csc([C@H](C)OCC)n1 554619153 FTZCLCIUIJYXDU-KRWDZBQOSA-N 433.581 5.475 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(OC2CCCC2)CC1 555288864 BVXSRYIHAJCENJ-GOSISDBHSA-N 428.552 5.061 30 20 IKED CC(=O)N(c1nc(COc2cc(F)cc(C#N)c2)cs1)c1c(C)cc(C)cc1Cl 558037481 AROALIPGAIHNPI-UHFFFAOYSA-N 429.904 5.688 30 20 IKED C=CCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](c2nc3ccccc3s2)C1 558675902 UIXXMEGNJQVJLC-KRWDZBQOSA-N 431.565 5.133 30 20 IKED Cc1c(C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)sc2ccc(C#N)cc12 559881800 DYTLNCBAHSGLMP-SSEXGKCCSA-N 436.602 5.915 30 20 IKED COc1cc(C(=O)N(CCC#N)c2ccc(F)cc2)ccc1OCc1ccccc1Cl 560357507 PUSWPERUIBQMBY-UHFFFAOYSA-N 438.886 5.627 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ccccc2Cl)n1)c1nc2ccccc2n1C(F)F 589830487 LTHZOTUNKARQAW-GFCCVEGCSA-N 428.851 5.698 30 20 IKED Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)Nc3cc(Cl)ccc3C#N)n12 594669403 KODGPBJYCKQTBK-UHFFFAOYSA-N 435.940 5.064 30 20 IKED CC(C)[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1nc2ccccc2[nH]1 603689745 DBTLSBDQQHOTPN-JOCHJYFZSA-N 426.480 5.141 30 20 IKED CCOc1ccc(C(=O)N[C@@H](C(=O)Nc2sc(-c3ccccc3)cc2C#N)C(C)C)cc1 603968008 GUAAXWDDTJFACO-JOCHJYFZSA-N 447.560 5.079 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCCCC[C@H]3c3ccncc3)cc2Cl)cc1 604090379 XFNMJFNCFJBZSZ-QHCPKHFHSA-N 446.938 6.548 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC(OCCc3ccccc3)CC2)cc1 604471786 ZSCQGUASRVBXBY-UHFFFAOYSA-N 440.543 5.001 30 20 IKED COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)NC2(C#N)CCCC2)s1 609187904 KMGKWQZOQXIIBZ-UHFFFAOYSA-N 432.549 5.057 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 609435533 VYXKCOSXCRXFGL-KRWDZBQOSA-N 447.564 5.542 30 20 IKED C[C@@H](Nc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1)c1ccccc1 609517114 LSIZAVCKICMYIP-LJQANCHMSA-N 434.499 6.171 30 20 IKED N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc1 609645904 WROQATCJQIGPCS-HSZRJFAPSA-N 444.922 5.071 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)NC3(c4ccc(Cl)cc4)CCOCC3)c2)cc1 609991003 UHUDKFSMMLJYOR-UHFFFAOYSA-N 431.923 5.391 30 20 IKED C=CCN(C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 610169095 ALZBBPUKWLNBMV-DLBZAZTESA-N 441.459 5.319 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(Nc3ncccn3)c2)cc1F 610313349 SRMBSJDUZDEJIO-UHFFFAOYSA-N 425.423 5.276 30 20 IKED C=CCOc1c(Br)cc(-c2nc(O)c3c4c(sc3n2)CCCC4)cc1OC 614434640 JGMOETQFHXFQFB-UHFFFAOYSA-N 447.354 5.279 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 643098099 UXVQWVDSSCMCMR-INIZCTEOSA-N 435.528 5.406 30 20 IKED CC(C)COC(=O)N1CCC(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1 726322734 WTWCDZQRFQHXBB-SFHVURJKSA-N 445.972 5.144 30 20 IKED C[C@@H](OC(=O)CSc1ccc(C#N)cc1)C(=O)N1c2ccccc2Sc2ccccc21 728676775 DXAJJUANZALWCB-MRXNPFEDSA-N 446.553 5.412 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H](O)c2ccccc2C(F)(F)F)cc1 728741579 VQHYECBAEVXOKJ-FQEVSTJZSA-N 441.409 5.224 30 20 IKED COc1ccc(CN(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)Cc2ccccc2)cc1 728914055 ODAWMBVKKKOJDW-JOCHJYFZSA-N 441.556 5.184 30 20 IKED CCN(CC)C(=O)c1ccc(C(=O)N2CCSC2=Nc2cccc(Cl)c2C)cc1 729169551 SYPWAEZFOOIMQT-UHFFFAOYSA-N 429.973 5.007 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=S)Nc1ccc(OC(F)F)cc1 730954609 FMVVRONKXFBVCN-UHFFFAOYSA-N 447.454 6.121 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COc1ccc(C2SCCCS2)cc1 730990518 YNYILJRIGBRFJO-MRXNPFEDSA-N 444.647 5.825 30 20 IKED COc1cc2c(cc1NC(=O)CNc1ccccc1S[C@H](C)CC#N)oc1ccccc12 731351885 FNSPMPVEBUACGU-MRXNPFEDSA-N 445.544 6.039 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)[C@H](C)c2ccccc2Br)c1 733805753 DXKJXDZTFKOYGB-NVXWUHKLSA-N 430.346 5.033 30 20 IKED CSCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C)c1C 735969037 CTUTZAHNCQHGLV-HXUWFJFHSA-N 441.622 5.017 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1 737029074 WZLKEPUHSHIETN-UHFFFAOYSA-N 427.520 5.413 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCO4)c2)s1 740060813 YBQHYSNPDHNTTG-HXUWFJFHSA-N 431.517 5.062 30 20 IKED N#Cc1cccc(COc2ccc(NC(=S)N[C@@H]3CCc4ccccc4C3)cc2F)c1 742993858 CKZSXSMWOZMUMA-OAQYLSRUSA-N 431.536 5.120 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CC[C@@H](COCc4ccccc4)C3)c2)s1 743626156 TYKWBQGEZZHCLU-OAQYLSRUSA-N 431.561 5.035 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1 744028554 JUJOLRKTIXYNJY-HXUWFJFHSA-N 449.551 5.428 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 744030810 MAKYIRLUYPRANU-KFWWJZLASA-N 442.129 5.751 30 20 IKED Cc1ccc(C(=O)N[C@@H](CC(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c2ccccc2)cc1 747193363 ISJCJTXFCDYXGC-RTWAWAEBSA-N 431.561 5.313 30 20 IKED N#CC1CCN(C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)c2cccs2)CC1 747198737 BQAANDXKIWLSTI-ULJHMMPZSA-N 428.557 5.630 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccn(-c3ccccc3Cl)n2)cc1 747643464 BCUPLSPQLUONMC-UHFFFAOYSA-N 442.906 5.423 30 20 IKED CC(=NNc1ncnc2sc(-c3ccccc3)cc12)c1ccc(N2CCOC2=O)cc1 748579409 GRWIQMXYEPFHBP-UHFFFAOYSA-N 429.505 5.151 30 20 IKED C/C(=C\C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1OC(F)F 753396446 OHHZNTUIQDOIEF-PMXLPMHFSA-N 435.455 5.563 30 20 IKED COc1ccc(/C=C(\C)C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1F 755641432 TWMBKCMOFJDVFW-BCNIOPEESA-N 428.435 5.516 30 20 IKED CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)OCC3 759182628 KRAOFHQEYAXSHU-BCHFMIIMSA-N 426.520 5.051 30 20 IKED N#Cc1cc(NC(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)c(Cl)c([N+](=O)[O-])c1 764306315 RBPYFXBYMKGUKH-UHFFFAOYSA-N 449.879 5.286 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cc(Cl)c(Cl)cc2O)cs1 766035013 WVUBSWYKYRZRIQ-VMPITWQZSA-N 447.343 6.045 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)c1ccc(NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 778095585 WMGUNOCRMDPVFG-KRWDZBQOSA-N 431.540 5.157 30 20 IKED CC(C)(C)c1nsc(Oc2ccc(NC(=S)Nc3ccccc3C#N)cc2Cl)n1 780235574 ODHXQRAJLSJGBY-UHFFFAOYSA-N 443.985 5.962 30 20 IKED Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 782599534 DSMUQCPHPIUSPO-LLVKDONJSA-N 432.502 5.037 30 20 IKED CC(=O)c1ccc(Oc2ccc(C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cc2)cc1 783341412 QQNCCAUOEXQKTN-HSZRJFAPSA-N 436.467 5.677 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=S)Nc3cccc(C(F)(F)F)c3)ccc21 787199413 QWPIGHDKYKDKCZ-UHFFFAOYSA-N 432.471 5.097 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2nc(Br)ccc2F)cc1Cl 791517752 ZMEYRMDASHEBJZ-OAHLLOKOSA-N 444.691 5.544 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1Cl 795252631 RZFVGSOESSFSKF-LJQANCHMSA-N 432.838 5.493 30 20 IKED C[C@H](C#N)OCCNc1ccc([C@H]2CC[C@H](N(C)C(=O)c3ccc(Cl)cc3)CC2)cc1 802745181 YFKJHRSNDGKKQQ-DRMXPCRNSA-N 439.987 5.479 30 20 IKED CC1(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)CCN(Cc2ccccc2)CC1 805903858 QQIDIBXTUPNSDZ-UHFFFAOYSA-N 447.366 5.003 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NOCc3ccc(C(F)(F)F)cc3)cc2)ccn1 810284716 VQLKVYZFHUZWKK-UHFFFAOYSA-N 428.370 5.018 30 20 IKED N#Cc1ccc(CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccs2)C2CC2)cc1 812357204 YDMSNTULQOCFOF-UHFFFAOYSA-N 446.967 5.144 30 20 IKED CCCOc1nc2ccccc2cc1/C=C/C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813211072 CRFGSDOOZCNZOR-LKGOPFMKSA-N 425.410 5.327 30 20 IKED C#Cc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2Cl)c1 844144164 IOPJQTYFCCPQJA-UHFFFAOYSA-N 445.327 5.028 30 20 IKED N#Cc1cc(Br)ccc1Cc1nc(-c2ccc(Oc3ccccc3)nc2)no1 904448857 JCVHEXWGSYLTJR-UHFFFAOYSA-N 433.265 5.149 30 20 IKED C=CCn1c(SC[C@H](O)c2cccc(Br)c2)nnc1-c1cccc(C)c1 913115386 UAFALRQQYKQIKT-SFHVURJKSA-N 430.371 5.028 30 20 IKED CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 916708075 IGFXWCPJBUXOLD-VWLOTQADSA-N 430.527 5.077 30 20 IKED CSCc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)oc2ccccc12 916927405 ITMRUSODLSMCGQ-ZDUSSCGKSA-N 433.316 5.564 30 20 IKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(-c2nc3ccccc3s2)o1 916936272 GBFJBGSYGRGHDH-LBPRGKRZSA-N 439.855 5.310 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(OC)cc3)n2)cc1 916951166 XNAOAALYVQEODY-YWZLYKJASA-N 433.533 5.293 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)COC(c2ccccc2)c2ccccc2)cc1 916954196 GHTRPMXRQZVDMN-CPJSRVTESA-N 440.543 5.654 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(CN4CCCCC4=O)cc3)n2)cc1 916974996 UQBSZGXGOYRELF-OAQYLSRUSA-N 429.545 5.121 30 20 IKED CCOc1ccccc1OCCCC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042081 BMUNQDNEWNBBHQ-HNNXBMFYSA-N 448.466 5.749 30 20 IKED N#C[C@@H](C(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1)c1nc2ccccc2o1 917510129 PQRAHGYHFZLVCT-AVRDEDQJSA-N 447.288 5.587 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/CCOc3ccc(F)cc3C2=O)cs1 917560133 HLXZYRQAYNPPLT-UVTDQMKNSA-N 442.899 5.669 30 20 IKED Cc1ccccc1-c1nnc(S)n1N=Cc1csc(COc2ccc(Cl)cc2)n1 918710055 DWHYNFDYYNWCBK-UHFFFAOYSA-N 441.969 5.113 30 20 IKED COc1ccc(-c2cc(NC(=O)c3ccccc3OCC#N)n(-c3cccc(C)c3)n2)cc1 920003018 HONJMNREVVYGDW-UHFFFAOYSA-N 438.487 5.011 30 20 IKED N#CCCn1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 920847493 FELJUXFOXXKQIB-UHFFFAOYSA-N 437.459 5.291 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4c[nH]nc34)CCC2)cc1 1785841854 AIEJSNRPGMYDAY-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCc4ccoc4C3)cc2)CCC1 1786217134 YDCJXPXOCLJYIH-NFBKMPQASA-N 432.564 5.287 30 20 IKED Cn1ccc2cccc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(C#N)cc5)CCC4)cc3)c21 1789060980 YSJNKHJZCXETHB-UHFFFAOYSA-N 448.526 5.111 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1)C(F)(F)F 1790768017 ZLSGNLLQCRXXEY-UHFFFAOYSA-N 447.844 5.078 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3c(C)noc3-c3ccccc3)CCC2)cc1 1791582834 PZHKLASJIGSYGA-UHFFFAOYSA-N 441.531 5.201 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cnc(C)s3)cc2)CCC1 1791957731 ODYOBZDRKKCVAC-CHHLAKQQSA-N 435.593 5.367 30 20 IKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3c(Cl)cccc3s1)C2 1802631030 VQTGMECGKXDHCQ-BJWYYQGGSA-N 428.985 5.000 30 20 IKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1812589807 DKCQWUXLXIPUMQ-NSXLHWASSA-N 447.604 5.137 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)s2)[nH]n1 1819303688 MTJAGQJNAUFSMB-GOEBONIOSA-N 432.977 5.199 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCCCC2(F)F)CC1 1824645209 BDBGHEMNQUOPNQ-NHCUHLMSSA-N 438.603 5.424 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cccs2)CC1 1827077886 XYPFXLZLGRADQT-IJIRNXSHSA-N 426.626 5.149 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)ccc2C)CC1 1828823339 FIKWCSAVPSCUAK-LADGPHEKSA-N 426.576 5.136 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)Nc2ccccc2)CC1 1829069382 XYWGEQISPZUVLU-QPPBQGQZSA-N 439.644 5.099 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)c(OC)c2)CC1 1829070070 GGKZIAQQIDKLLY-JOCHJYFZSA-N 444.591 5.060 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H](C)c2ccccc2)CC1 1831448131 IPABQPQILBYILU-UGKGYDQZSA-N 432.555 5.011 30 20 IKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 1831850216 URWXUWBSRKKFOE-WJNCPCKPSA-N 426.645 5.016 30 20 IKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1832564816 JSPQNEWOUKZHMQ-NRFANRHFSA-N 449.422 5.339 30 20 IKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3cccnc3Cl)c2C#N)C1 10801822 NPVMEEKRDSQPJH-CYBMUJFWSA-N 445.972 5.005 30 20 IKED COc1cccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(C(C)(C)C)cc2)c1 11260947 GOGZZOIVJDFZSK-UHFFFAOYSA-O 447.624 5.948 30 20 IKED C=CCn1c(SCc2nc3ccccc3n2C(F)F)nnc1-c1ccc(Cl)cc1 14902737 KONSADSXAYJLLN-UHFFFAOYSA-N 431.899 5.822 30 20 IKED CCCn1c(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1cccc(C)c1 16860003 JTSBUKMCLHHFQN-OAHLLOKOSA-N 439.972 5.308 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(Nc3cccc(F)c3)s2)cc1 26525934 DNQFEDGUZOTRJG-OAHLLOKOSA-N 441.557 5.157 30 20 IKED C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 36023264 MNXSSASWMDCAND-GRVPHDJPSA-N 445.592 5.036 30 20 IKED CC(C)(C)c1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N2CCC(C#N)CC2)cc1 61584842 WHKKIPRTZSDNCK-PYCFMQQDSA-N 449.598 6.395 30 20 IKED C[C@H]1C[C@H](C)CN(Cc2ccc(CNCc3cn(CCC#N)nc3-c3ccccc3)cc2)C1 237562091 LQQFTGWFEHXFDR-GOTSBHOMSA-N 441.623 5.231 30 20 IKED CS(=O)(=O)c1cccc([C@@H](Nc2cc(C#N)nc3ccccc23)c2ccc(Cl)cc2)c1 301458562 IJHJFNVZWQMYGZ-DEOSSOPVSA-N 447.947 5.365 30 20 IKED Cc1nc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)c2ccccc2n1 302844118 DOHNAEKKVRBBLK-UHFFFAOYSA-N 433.581 5.464 30 20 IKED CCOc1cc2c(cc1NC(=O)c1cccc(COc3ccccc3C#N)c1)O[C@H](C)C2 303530522 FRKUEJYYQGCREW-QGZVFWFLSA-N 428.488 5.112 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(-c4cn5cccnc5n4)cc3)c2)c1 303588323 GXDMGNRDDHPJDV-UHFFFAOYSA-N 445.482 5.099 30 20 IKED N#Cc1ccc(NC(=O)CCSc2nnc(-c3ccc(Cl)s3)o2)cc1Cl 303836134 HMLAQPPLEWHWPS-UHFFFAOYSA-N 425.322 5.097 30 20 IKED CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)c1ccc(Cl)s1 426533497 QVJUUVCYYWMFBW-QGZVFWFLSA-N 439.924 5.271 30 20 IKED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 426653360 AXEWWPBUJPHOJV-KRWDZBQOSA-N 439.471 5.255 30 20 IKED COc1cc(Cl)c(Br)cc1C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 429902279 VRQWAOVWJCRGFF-QAPCUYQASA-N 433.733 5.023 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccc(C#N)cc1Cl 430361964 VISJONKQPAXJHZ-UHFFFAOYSA-N 430.316 5.740 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1ccccc1 432914907 FLEDTCGTYXFFKV-IBGZPJMESA-N 427.430 5.448 30 20 IKED COc1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1NC(=O)C1CCCCC1 433165419 ULWGEIGFFSWNLH-JOCHJYFZSA-N 448.567 5.771 30 20 IKED CC(C)(C)OC1CC(CCNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 433487798 RPPXBJSVQCDVAJ-UHFFFAOYSA-N 437.559 5.393 30 20 IKED CC[C@@H](NC(=O)N[C@H](c1cc(F)ccc1F)C(F)F)c1nc(C(F)(F)F)cs1 433607148 WBDQWTVOPAHHAP-ZYHUDNBSSA-N 429.361 5.197 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 437847700 SSXCDGWPHABCCL-PMACEKPBSA-N 439.441 5.195 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1 438045084 QRRZUVWZNARDKC-UONOGXRCSA-N 425.489 5.010 30 20 IKED CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438891694 GHZMMWDOGDHPLY-UHFFFAOYSA-N 438.528 5.147 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](CO)c1cccc(Cl)c1F 439348734 AYMXDJDKKBCZOR-OAQYLSRUSA-N 439.874 5.307 30 20 IKED CO[C@@H](C)c1cccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 439545895 FJFVVEYAHVVVTD-KSFYIVLOSA-N 447.922 5.280 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3C[C@H]3C3CCCCC3)cc2Cl)cc1 442550863 DGTZNPMAZRMKTA-PZJWPPBQSA-N 437.927 5.027 30 20 IKED C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)c1cccc(C#N)c1 442900171 LTMMGNYIPJOAON-APWZRJJASA-N 429.549 5.330 30 20 IKED CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccc(Cl)cc1 460701791 WQBPQCKRNDJLMH-QFIPXVFZSA-N 435.959 5.238 30 20 IKED Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3ccc(COc4ccccc4C#N)o3)cc2)n1 461565735 QXAZVDSFUKSXHY-IBGZPJMESA-N 440.503 5.024 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CC[C@H](CSc4ccccc4)C3)c2)c1 464341377 VNSTVYFLOHDJMT-QFIPXVFZSA-N 428.557 5.392 30 20 IKED CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 465297156 SLRYWLOATFJJKI-UHFFFAOYSA-N 442.515 5.274 30 20 IKED N#Cc1ccc(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)c(Cl)c1 465386568 BHSIPJDYRDNIGZ-INIZCTEOSA-N 427.938 5.336 30 20 IKED COc1ccc(-c2cncc(C(=O)[C@H](C#N)c3nc(-c4ccc(OC)cc4)cs3)c2)cc1 467071668 JLJKPJRPIKZPKI-QFIPXVFZSA-N 441.512 5.379 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@H]3CCCc4ncc(C(F)(F)F)cc43)ccc21 469303529 XUFPVMIQNFLIDR-FQEVSTJZSA-N 428.458 5.173 30 20 IKED Cc1cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)sc1-c1ccc(F)cc1 469973560 PGPRKLINVAFLNS-UHFFFAOYSA-N 447.535 5.698 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N(Cc3ccccc3)Cc3ccco3)ccc21 470550130 UQZLNRNVPVOTEA-UHFFFAOYSA-N 442.519 5.097 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCO[C@H](c3cccs3)C2)cc1 473781629 CKFYICDLTLNIQY-NRFANRHFSA-N 435.505 5.026 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)cnn1-c1cccc(Br)c1 474450713 WPZFAMOSKROPMT-HNNXBMFYSA-N 429.343 5.013 30 20 IKED Cc1cc(F)c(Br)cc1NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 474957102 VXCMTECFKMQHSV-UHFFFAOYSA-N 437.153 5.245 30 20 IKED N#CC[C@@H](CC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 475646479 FIIAYNVIYACQTE-LAUBAEHRSA-N 444.362 5.401 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 479506980 YWNAAMDDBPIMGN-UHFFFAOYSA-N 438.556 5.606 30 20 IKED CSc1c(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)cnn1C 479793235 BQGUTGBKVZFUOZ-UHFFFAOYSA-N 432.427 5.077 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCCC[C@H]2c2nc3ccccc3o2)cc1 480806500 UEJYTDBFCJEIDD-QFIPXVFZSA-N 438.487 6.251 30 20 IKED C=C(C)[C@@H](NC(=O)Nc1cccc2c1CN(c1nccs1)C2)c1ccc(F)c(F)c1 480917401 ZFNYMGJXDROKLX-HXUWFJFHSA-N 426.492 5.380 30 20 IKED C[C@H](NCc1ccc(C#N)cc1Br)c1cccc(NC(=O)c2ccccc2)c1 481271313 SNUMYGKLYGNKHC-INIZCTEOSA-N 434.337 5.424 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N(CCc3ccccc3)Cc3ccncc3)c2)cc1 483525578 NVPBSERTSBQIEH-UHFFFAOYSA-N 433.511 5.631 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(Cl)s3)s2)c(C(F)(F)F)c1 487383800 DLJAEOKLYDTOJZ-UHFFFAOYSA-N 427.860 5.592 30 20 IKED CSc1cc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1NC(C)=O 488015036 POORTRMPCOQLSI-UHFFFAOYSA-N 447.535 5.220 30 20 IKED CC(C)c1ccc(-c2nnc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)o2)cc1 488806828 VOQWCJGKHVTZIK-CYBMUJFWSA-N 438.578 5.401 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)cc1F 489828568 GZRLWWINMAKABH-CYFREDJKSA-N 431.467 5.389 30 20 IKED COc1cc(CN[C@@H](C)c2nc(C(F)(F)F)cs2)ccc1OCc1cccc(C#N)c1 490089060 GAUHFEUFUBUHEF-AWEZNQCLSA-N 447.482 5.472 30 20 IKED Cc1ccc(C)c(OCc2nnc(SCc3cc(C#N)ccc3Br)o2)c1 491940547 XTPKNIRPUHUJMN-UHFFFAOYSA-N 430.327 5.192 30 20 IKED CCN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 492094453 LDTDCQVRNVNUMT-SDXDJHTJSA-N 426.476 5.006 30 20 IKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)Nc1ccnn1-c1ccc(C#N)cc1 497946110 JTNYJRPBYYWLEL-UHFFFAOYSA-N 443.510 5.449 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)CCCCC(=O)c1ccccc1 500119515 FXSYHJFNAAUOGJ-UHFFFAOYSA-N 432.333 5.546 30 20 IKED CO[C@H](C)C(=O)Nc1cccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 502618123 IUJURCBKKSAPPI-QGZVFWFLSA-N 444.491 5.276 30 20 IKED COCc1c(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)oc2ccccc12 505320121 IXAQYRNTZWYXNP-QHCPKHFHSA-N 426.472 5.153 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)cc1 505616781 BTOVQZUNPHJZHV-OPAMFIHVSA-N 441.487 5.206 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCCOc3ccc(F)cc32)cc1 506353430 OHJRLQMBZMSUQV-DEOSSOPVSA-N 445.494 5.506 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](COc3ccccc3)C2)cc1Cl 506361925 FZRTYOLGWMPHKW-DVECYGJZSA-N 445.950 5.928 30 20 IKED COCC[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccco1 506957930 WRLBPSFFRWCFRM-HXUWFJFHSA-N 439.899 5.283 30 20 IKED N#C[C@H](C(=O)c1ccc(OCc2ccccc2)nc1)c1nc(-c2ccc(Cl)cc2)cs1 508211757 UPNMMCRUGAUNBC-HXUWFJFHSA-N 445.931 5.928 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc1 508265052 BLAZBKKGOIQZOZ-HSZRJFAPSA-N 427.504 6.037 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 513191190 GKCVZLWYAJVCRR-HNNXBMFYSA-N 435.402 5.074 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ccccc2F)o1)c1nc(O)c2c3c(sc2n1)CCCC3 513666963 QHJBVGWSCNJFQP-AWEZNQCLSA-N 433.464 5.165 30 20 IKED COc1ccc([C@H](NCC(=O)Nc2cc(Cl)ccc2C#N)c2ccccc2Cl)cc1 514694694 HHTYKMXEALSDQA-QHCPKHFHSA-N 440.330 5.191 30 20 IKED Cc1ccc2c(c1)CC[C@H]2NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 517847207 STZYFTGEQVHNJR-JOCHJYFZSA-N 445.906 5.055 30 20 IKED C[C@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 520005602 KVKJCZZODGMOOY-MRXNPFEDSA-N 433.895 5.162 30 20 IKED COc1ccc(C)cc1-n1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)n1 520463342 KKFLHQMGZICIGU-GOSISDBHSA-N 428.517 5.111 30 20 IKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)NCc1ccc(Cl)cc1 520835449 NGBFQLNPCXHDSI-ZDUSSCGKSA-N 441.906 5.481 30 20 IKED CCOc1ccccc1Oc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cn1 521417737 YVIZZMUWHWVZLT-UHFFFAOYSA-N 444.535 5.264 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(C#N)cc2)nc1-c1ccccc1 524815562 DCVFXVWBEQDVPG-GCJKJVERSA-N 429.520 5.468 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)c1ccc(C(C)C)cc1 525110792 LTJNPJLVFSDNHR-QGZVFWFLSA-N 439.556 5.669 30 20 IKED Cc1ccccc1[C@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCO1 525735135 QIYKIVWAHIFQCU-AREMUKBSSA-N 441.531 5.246 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)c2ccccc2SCc2cscn2)cc1 537999060 VRYXEUUTLLCXHO-UHFFFAOYSA-N 441.581 5.904 30 20 IKED C[C@H](Cc1cc(Br)ccc1F)NCc1cn(CCC#N)nc1-c1ccccc1 538003526 YROQFTWRPWMCFO-MRXNPFEDSA-N 441.348 5.086 30 20 IKED COc1cc(C#N)ccc1CN[C@H](C)c1sc(-c2ccccc2Br)nc1C 541638353 BBJLEQXLBJGTDT-CYBMUJFWSA-N 442.382 5.612 30 20 IKED N#Cc1cc(C(=O)Nc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)ccc1Cl 543469251 PLVCOFIXFAMNEL-UHFFFAOYSA-N 433.773 5.328 30 20 IKED N#CC1(c2ccc(C(=O)N[C@@H](c3ccc(OC(F)(F)F)cc3)C(F)(F)F)cc2)CC1 543898360 XQZNVXYQPAKTOM-INIZCTEOSA-N 428.332 5.174 30 20 IKED CC(C)(C)c1nsc(Oc2ccc(NC(=O)N3CCC(CC#N)CC3)cc2Cl)n1 548413174 VNQZNETVVNIOTD-UHFFFAOYSA-N 433.965 5.439 30 20 IKED Cc1ccc(Sc2ccc(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)cc2)cc1C 548802750 MPSHJJQXNNISDE-UHFFFAOYSA-N 442.588 5.939 30 20 IKED COc1cccc(Oc2ncccc2CNC(=O)c2sc3ccc(C#N)cc3c2C)c1 551404333 PKDGEHPNRFCHSI-UHFFFAOYSA-N 429.501 5.207 30 20 IKED Cc1nc([C@H](NC(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccc(Cl)cc2)no1 554212989 PQUTYHYYOCWMTL-BFUOFWGJSA-N 441.944 5.194 30 20 IKED CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 554968809 UHWXBNMFHIGJPT-UHFFFAOYSA-N 431.448 5.005 30 20 IKED C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 555263530 LIPNDORTKXTDER-QGZVFWFLSA-N 435.503 5.395 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N(CCCO)[C@@H]3CCCc4ccccc43)cc2)ccn1 569413974 AYWLVEGBPCPCDE-RUZDIDTESA-N 442.519 5.039 30 20 IKED Cc1sc2ncnc(SCC(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)c2c1C 571012266 XEVNSYVBNKFJOK-UHFFFAOYSA-N 447.545 5.098 30 20 IKED CC(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC(C)(C#N)CC1 583157658 ZMWXYDNGWWRFJJ-UHFFFAOYSA-N 429.568 5.310 30 20 IKED O=C(c1cnc(Cc2ccc(F)cc2)s1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 589051372 KCJOZXAUYSHBJA-RYUDHWBXSA-N 440.384 5.076 30 20 IKED C=CCN(C(=O)c1ccc(C(N)=O)s1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 590417741 CTJVAHSFXGYUHS-UHFFFAOYSA-N 438.361 5.110 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(-c2ccc(F)cc2F)c1C 603739098 QHUWYPKZGCJPDJ-UHFFFAOYSA-N 445.429 5.079 30 20 IKED C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 603758687 ATVDARRDXXSEGY-XARZLDAJSA-N 443.934 5.842 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N[C@H](C)c1ccc(C#N)cc1 603872261 OARALQLTGHAWPG-CYBMUJFWSA-N 441.915 5.464 30 20 IKED C[C@H](c1cccs1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604163749 DFKZRKVSBBNFJQ-CQSZACIVSA-N 439.924 5.224 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Nc3cnn(C[C@@H]4CCCO4)c3)cc2Cl)cc1 604316382 CGKLBGKRBYTFSG-IBGZPJMESA-N 437.887 5.023 30 20 IKED CSc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1[N+](=O)[O-] 604445321 VAXSULNZUVXTMR-LLVKDONJSA-N 431.445 5.208 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3csc(-c4ccc(Cl)cc4Cl)n3)[nH]c12 605363129 KKOVBQFUXFXBIO-CYBMUJFWSA-N 427.316 5.792 30 20 IKED C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C1 608638525 GCECOBGJCGACAO-LSCFUAHRSA-N 440.403 5.828 30 20 IKED Cc1nc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)nc2ccccc12 608841254 MGDPFXGLXFHPEP-UHFFFAOYSA-N 443.894 5.577 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 609020781 WYVQWQSFVKDHSK-UHFFFAOYSA-N 426.451 5.050 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(-c4cn5ccsc5n4)cc3)o2)cc1 609054298 BINKRDWTRLELCR-UHFFFAOYSA-N 440.484 5.359 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N(C)c1ccc(C#N)cc1F 609217377 DOTLBMVWZOTIGC-UHFFFAOYSA-N 445.878 5.389 30 20 IKED Cc1cc(-c2cc(C(=O)N(C)c3ccc(C#N)cc3F)c3cnn(C(C)C)c3n2)c(C)s1 609217635 MKZJETQSNLDRSQ-UHFFFAOYSA-N 447.539 5.645 30 20 IKED N#Cc1c(NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)sc2c1CCCC2 609323904 FVWYGWNWIUUKIM-UHFFFAOYSA-N 435.496 5.698 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cnc(-c2ccccc2)nc1 609378491 PDXYCPTWFLAYIR-UHFFFAOYSA-N 428.439 5.420 30 20 IKED C=CCc1cc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc(OC)c1OC 609434983 IWMAGKWVGHXVQV-INIZCTEOSA-N 425.554 5.148 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1ccc2ccccc2c1 609471036 XVZUAVZOSPEVMG-NDEPHWFRSA-N 449.554 5.659 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl 609500535 SJZWYCPOEIOGFV-MSOLQXFVSA-N 438.314 6.103 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O 609556049 UCZUZWAUUWKUIW-HNAYVOBHSA-N 442.972 5.003 30 20 IKED CC(C)N(C)CC1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 609730993 MQDQJBZJUGIOKQ-UHFFFAOYSA-N 425.960 5.196 30 20 IKED CCCN(Cc1ccc(C)cc1)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609940030 HABXRWNMBWKUBG-UHFFFAOYSA-N 427.504 5.036 30 20 IKED COc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 610015519 KYWNWBYVQMJKFW-XXBNENTESA-N 445.950 6.025 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1 610171356 ISNSGVDVVLFPDK-UHFFFAOYSA-N 448.910 5.636 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnc(-c3ccncc3)s2)cc1 610173567 MGEGYMCOUABICF-UHFFFAOYSA-N 428.473 5.130 30 20 IKED COc1ccc2c(c1)OCC[C@@H]2NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 610323536 HOLDMPKGFFWHHJ-DEOSSOPVSA-N 443.503 5.100 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)c(C(F)(F)F)c1 610386641 GUVKGGVUWASFEY-UONOGXRCSA-N 449.498 5.284 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)Nc3ccccc3CCC(F)(F)F)cn2)c1 610697236 BIJUHDOBFHPOSF-UHFFFAOYSA-N 426.398 5.884 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](COc2ccccc2Cl)C1 611095369 VJAHDEWOBYLIAH-ZWKOTPCHSA-N 444.000 6.057 30 20 IKED CCOc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cs2)cc1 613391899 FARRXDXDPOVHCB-SFHVURJKSA-N 431.542 5.822 30 20 IKED COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)N[C@H]2CCc4cc(C#N)ccc42)CCC3)cc1 618812476 QATUUKSCKUTZBZ-UNMCSNQZSA-N 444.560 5.054 30 20 IKED CC(=O)Nc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1C 726073870 ITSGLTWVROVEOH-UHFFFAOYSA-N 430.483 5.199 30 20 IKED Cc1nc(/C=C/c2csc([N+](=O)[O-])c2)sc1C(=O)/C=C\c1csc([N+](=O)[O-])c1 726849176 XOQAVIVFQZEVLS-VOERYJCWSA-N 433.492 5.457 30 20 IKED N#Cc1ccccc1NC(=S)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 727980790 YAWHBVVJIWKAIC-UHFFFAOYSA-N 427.451 5.965 30 20 IKED COc1ccc(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 728061981 FHGOCZSXOPFZPZ-MRXNPFEDSA-N 435.911 5.238 30 20 IKED C#Cc1cccc(N(CC)C(=O)c2oc3ccccc3c2CSc2nnc(C)s2)c1 728480109 DRDAMUPWBKKXJB-UHFFFAOYSA-N 433.558 5.533 30 20 IKED N#C[C@@H](NC(=O)/C=C/c1nc2ccccc2s1)c1ccc(OCc2ccccc2)cc1 729369195 CUMPXHATRMPWSB-JXVRESAISA-N 425.513 5.270 30 20 IKED Cc1cc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)c(C)n1-c1ccc(C#N)cc1 729442414 XHIDBBYEAQKHKH-UHFFFAOYSA-N 438.535 5.096 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1sc2cc(Br)ccc2c1Cl 729823398 ATKOTHMDQZWACG-UHFFFAOYSA-N 435.730 5.840 30 20 IKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 730418394 VBVJOPJDMADPNX-OAHLLOKOSA-N 442.313 5.407 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3sccc3SC(F)F)s2)cc1 730468910 KJSKHZBKWTYWHI-UHFFFAOYSA-N 440.547 5.331 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 731399935 JEAHGRAMZDNFGP-DLBZAZTESA-N 446.617 5.238 30 20 IKED CC(C)C[C@H](C)N(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc2[nH]ccc2c1 731984454 JEAIYVJCZPKKKI-IBGZPJMESA-N 438.531 6.308 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C[C@@H](C)N1C(=O)OC(C)(C)C 733620600 AXKNJOLURVKRRQ-PWHSHALESA-N 448.567 5.204 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)NCC2(c3ccccc3)CCCCC2)ccc1OC 733642532 MGLFYBKRZGLIQI-QFIPXVFZSA-N 435.568 5.077 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)NCc2ccccc2Oc2ccccc2)ccc1OC 733644044 FPGZOTSXFDSWSG-NRFANRHFSA-N 445.519 5.168 30 20 IKED N#C[C@@H](C(=O)CCc1ccc(Br)cc1F)C(=O)Nc1cccc2ccccc12 745312498 LXBGAGRKHOUAJJ-SFHVURJKSA-N 439.284 5.022 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cnn(-c3ccccc3)c2)cs1 746346141 LBPZFRLUUYGSQC-XFXZXTDPSA-N 448.935 5.563 30 20 IKED CCN(C[C@H](O)c1ccc(C)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 748944286 SHKPOWBGQGALLH-DEOSSOPVSA-N 447.510 5.172 30 20 IKED CC[C@@H](C)n1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1ccccc1 749753202 YIKYFUCXIJSVHJ-UXHICEINSA-N 447.608 5.652 30 20 IKED CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OC(F)F 750896508 QNKDFAHOGRTWOA-VOTSOKGWSA-N 442.212 5.254 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)COc1ccc(C2SCCCS2)cc1 752039330 OQWCXRHMBKMYRN-FCHUYYIVSA-N 438.618 5.232 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2cc(F)ccc2[N+](=O)[O-])cs1)c1ccc(F)cc1F 752873419 FLADUETYDNVWLF-QPJJXVBHSA-N 447.394 5.049 30 20 IKED N#C[C@@H](C(=O)CC(Cc1ccccc1)Cc1ccccc1)c1nc(-c2ccncc2)cs1 753397568 OJHCTDYLWJTTKX-DEOSSOPVSA-N 437.568 5.873 30 20 IKED C#CCN(Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1)C1CCCCC1 756501601 MCQQHOFWLIBMNW-UHFFFAOYSA-N 430.017 5.866 30 20 IKED COc1ccc(C(=O)CCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 760182780 HSQFEANUUUBNNA-OAQYLSRUSA-N 432.545 5.747 30 20 IKED Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=S)Nc2ccc(C#N)c(Cl)c2)c1 767695494 CEERRYSEAPOYFT-QHCPKHFHSA-N 435.980 5.453 30 20 IKED CC(C)(C#N)c1ccccc1COC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 768050368 PQSSHFYZZFFWBK-UHFFFAOYSA-N 438.886 5.287 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCc3cccc(C(F)(F)F)c3)n2)cc1 770841631 JUEHBJIVLSCGSR-LJQANCHMSA-N 439.462 5.900 30 20 IKED N#CCc1ccc(OCc2cccc(N3C(=O)N[C@@H](c4cccc5ccccc45)C3=O)c2)cc1 771879349 CIMOUGQFYJZRAO-SANMLTNESA-N 447.494 5.282 30 20 IKED C[C@H](Oc1cccc2ccccc12)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 774052148 KVAXBQRFIRPMHB-GUYCJALGSA-N 427.287 5.261 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)nn1C1CCCCC1 776516806 NUQULWGDBSDUFM-OAQYLSRUSA-N 442.519 5.450 30 20 IKED CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)co1 780346294 PKQRZYRMRBVAHW-QFIPXVFZSA-N 431.492 5.212 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N(C)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 780669437 CLJDHBFLNHSHKP-WAIKUNEKSA-N 437.902 6.023 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1 780674897 ITDIXJGWAQTQFA-GOSISDBHSA-N 449.530 5.383 30 20 IKED CC[C@@H](NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccc(OC)cc2)c(C)s1)c1ccccc1 787032009 OIPJJNNQFULMRC-FGZHOGPDSA-N 432.545 5.322 30 20 IKED N#Cc1cc(COC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)ccc1F 787837706 ZVNDZCDUKYCLPZ-UHFFFAOYSA-N 434.254 5.120 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccc(C(F)(F)F)cc1 798813977 CZDCJEOJAJZXLL-XHDPSFHLSA-N 445.466 5.274 30 20 IKED CC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(OC)c(OC)c1 806200306 CRXZVCDHHGZLOT-XZOQPEGZSA-N 429.520 5.632 30 20 IKED CC[C@@](C)(C#N)C(=O)Oc1ccc(Sc2ccc(OC(=O)[C@@](C)(C#N)CC)cc2)cc1 807928275 CXXRZOFZDGRKGQ-PSWAGMNNSA-N 436.533 5.528 30 20 IKED Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 810535676 LBXNNAXUSBBELG-SECBINFHSA-N 433.242 5.003 30 20 IKED N#Cc1cccc(C(=O)Oc2ccccc2C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 810629301 GSGLGRNIYQEPJR-UHFFFAOYSA-N 445.784 5.097 30 20 IKED Cc1cc(C(F)(F)F)nn1CC(=O)O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F 810881439 SFCZIZGETFMENO-ZDUSSCGKSA-N 434.258 5.076 30 20 IKED O=[N+]([O-])c1ccccc1-c1ccc(C=Nn2c(S)nnc2-c2ccccc2Cl)s1 812397076 JAGTVZGIIWQNGJ-UHFFFAOYSA-N 441.925 5.406 30 20 IKED N#CCSc1ccccc1C(=O)Nc1ncc(-c2ccc(Br)cc2)s1 813690372 KGUIEMNOAIMTLR-UHFFFAOYSA-N 430.352 5.441 30 20 IKED N#Cc1cccc(NC(=O)CSC2=NC(=O)/C(=C\c3csc4ccccc34)S2)c1 814774195 ZTNWKDNJBBWKEZ-GIJQJNRQSA-N 435.555 5.115 30 20 IKED C[C@H](CC(=O)N[C@H](CCCC#N)c1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 817319039 JYXSVNDICRVELW-CEMLEFRQSA-N 427.589 5.211 30 20 IKED CN(CCC#N)c1ccc(CNc2cc(C(=O)N(C)c3ccccc3)ccc2Cl)cc1 864006534 IMAKVKPBGOLKJE-UHFFFAOYSA-N 432.955 5.579 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)s2)cc1 916883708 NPDWSPYJGHZJGV-GOSISDBHSA-N 439.924 5.132 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1sc2ccccc2c1Cl 916906414 SYCIHNXVQWZIGO-KRWDZBQOSA-N 446.915 6.308 30 20 IKED Cc1cc(O[C@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1Cl 916932182 RWJQQODEUSVSSB-RISCZKNCSA-N 425.699 5.070 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(Br)s2)cs1 917557629 DCGIVRLYIFEDQF-YVMONPNESA-N 447.379 5.856 30 20 IKED CCc1c(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)oc2ccc(C)cc12 917559787 NPJCVAJCDILBMC-XFXZXTDPSA-N 444.556 6.649 30 20 IKED COc1ccc(OCc2nc(/C=C\C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cs2)cc1 920063017 QVPMLIKPCBTSOS-OQFOIZHKSA-N 430.869 5.188 30 20 IKED CCN(CC)c1ccc2cc(C(=O)/C=C\c3csc(-c4ccsc4)n3)c(=O)oc2c1 920063986 NSXZCGPBMZWRTI-VURMDHGXSA-N 436.558 5.720 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1)c1nc2ccccc2s1 920105817 FPYNMOAPMZVPMX-FDCNMECVSA-N 449.963 5.220 30 20 IKED CCCn1c(COc2ccc(C#N)cc2)nnc1N(Cc1ccco1)Cc1cccs1 1764396462 JOJRWSFZNQYEHK-UHFFFAOYSA-N 433.537 5.000 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3cccc(OC)c3)cc2)CCC1 1787756759 KVSLZLFBENSKPL-XMMPIXPASA-N 432.564 5.140 30 20 IKED Cc1ccc(-c2ncccc2C(=O)Nc2ccc(C3(NC(=O)[C@H](C)S)CCC3)cc2)cc1 1788359877 YDGAFNBQIGTNPW-SFHVURJKSA-N 445.588 5.123 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4nc(C)ccc4c3)CCC2)cc1 1791727329 DRKVHIZYKBEESS-UHFFFAOYSA-N 439.559 5.485 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccccc4OC(F)F)cc3)CCC2)C1 1792150220 BCIUTJKPTXITOY-UHFFFAOYSA-N 426.463 5.002 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)/C=C/c3ccc(F)cc3F)C2)CC1 1806465424 OQMMXDXYOYBEGS-CSKARUKUSA-N 444.566 5.202 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2sccc2Cl)[C@@H]1c1cccnc1 1811087355 AVEMKECYWIMAHN-MJGOQNOKSA-N 446.016 5.109 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](F)c2ccccc2)CC1 1824855920 XOMKEFMYWZQRFN-DHIUTWEWSA-N 428.592 5.309 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3sccn3c2)CC1 1828825605 YPOUWLUMGDJSKX-FCHUYYIVSA-N 439.625 5.003 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)ccc2C)CC1 1828827127 IHOWLVULAJRRDE-NOZRDPDXSA-N 438.612 5.005 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(-c3ccccc3)n2)CC1 1831370328 LGGKNKHGDNWMQG-HFZDXXHNSA-N 445.607 5.194 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 1832029794 QKPHMGSNHUPGCH-QFIPXVFZSA-N 448.529 5.132 30 20 IKED Cc1ccc(N/C(S)=C(\C(=O)c2cc(C)n(C)c2C)[n+]2ccc(C(C)(C)C)cc2)c(C)c1 10168697 LATJZBUJNSHARH-UHFFFAOYSA-O 448.656 5.895 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2c(C)cccc2C)cc1 11153626 DJZAPHRTSPLGPE-UHFFFAOYSA-O 445.652 6.718 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)n1 21514891 STIOKZZCKABZLB-HNNXBMFYSA-N 441.478 6.067 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 24437353 OZNQTXDRTJLIPV-UHFFFAOYSA-N 445.306 5.517 30 20 IKED Cc1ccc(OCc2nnc(S[C@@H](C)C(=O)/C=C3/N(C)c4ccccc4C3(C)C)o2)cc1 31621050 DJWSQOJYFYTEIA-NIZGNDASSA-N 449.576 5.318 30 20 IKED COc1ccccc1-c1csc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)n1 32667093 JRXSIQWDMREZMX-UHFFFAOYSA-N 441.512 5.522 30 20 IKED N#CCSc1ccccc1NC(=O)CSc1nc(-c2ccco2)nc2ccccc12 45670575 XUKYFAYUFHOZGB-UHFFFAOYSA-N 432.530 5.236 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCc1nc2ccccc2s1 46879853 BNFRLJYGTBVROU-UHFFFAOYSA-N 428.517 5.625 30 20 IKED CCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 60488352 VAOVOSNAZNQUDA-HNNXBMFYSA-N 447.343 6.014 30 20 IKED CC(C)[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1nc(-c2cccnc2)no1 236801945 PWLHOBTVZZDKDF-DEOSSOPVSA-N 439.519 5.069 30 20 IKED C=CCn1c(S[C@H](C(=O)NCc2ccccc2)c2ccccc2)nnc1-c1ccccc1 302847483 KUWYGGUORBDBIQ-QHCPKHFHSA-N 440.572 5.281 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1Cl 303405870 SSJNGDVZIQNYSQ-INIZCTEOSA-N 426.259 5.809 30 20 IKED C=CCN(CC1CCCCC1)C(=O)CCc1nc(-c2cc(Br)cs2)no1 303422063 AWXUROWHMCCNHC-UHFFFAOYSA-N 438.391 5.088 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(Cl)ccc3Br)o2)cc1 430321008 YZQCGYVCYKKJHO-UHFFFAOYSA-N 431.673 5.398 30 20 IKED C=CC[C@@H]1N(C(=O)Nc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)CCCC1(C)C 436101047 PBENYDVUQGXMRV-IBGZPJMESA-N 449.473 6.149 30 20 IKED CCn1c([C@H]2CCCN2CC(=O)Nc2ccccc2S[C@H](C)CC#N)nc2ccccc21 437771506 FQPWMNWIPQSLRL-XMSQKQJNSA-N 447.608 5.226 30 20 IKED COc1ccccc1C[C@H](C)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 437953375 KNYXDRBFSGBXBL-SFHVURJKSA-N 447.510 5.380 30 20 IKED CO[C@@H](C)C(=O)Nc1cccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 438662937 AZPJBLJSIWYPBB-HNNXBMFYSA-N 448.454 5.107 30 20 IKED N#CC1CCC(CNC(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)CC1 440986801 JDQZFQOGJFLSSK-SEEARECTSA-N 432.284 5.072 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)cc1 445240895 PDTWDXONWGPODB-UHFFFAOYSA-N 433.512 5.044 30 20 IKED COCCN(C(=O)Cc1cccc(OCc2ccccc2Cl)c1)c1ccc(C#N)cc1 460358280 BKIROMVNPZQSDE-UHFFFAOYSA-N 434.923 5.013 30 20 IKED C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 460771476 VVAJWSSCAJHBAT-LJQANCHMSA-N 444.482 5.204 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)cc1C 465463134 PWBPUJLIAZMSMW-UHFFFAOYSA-N 428.536 5.562 30 20 IKED COCC[C@@H]1CCCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 467158911 FHSIHEQFOBCJOV-PGRDOPGGSA-N 425.960 5.666 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cccc(-c3cccnc3)c2)cc1 467173179 ZAHOTEOMILHIKQ-UHFFFAOYSA-N 448.526 5.715 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 472323961 VHONYSSUOFLSKM-FTJBHMTQSA-N 440.547 5.013 30 20 IKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 474427722 PILXYEXUBSYARV-FQEVSTJZSA-N 445.544 6.094 30 20 IKED N#Cc1ccc(NC(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)c(Cl)c1 478093774 IFFQRSJWXMLLIF-QGZVFWFLSA-N 425.863 5.552 30 20 IKED COc1ccc(OC)c([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 481655229 IIUJABNFCHFPMD-MRXNPFEDSA-N 449.482 5.176 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 482076383 DNBYOEDZQCNJCE-KRWDZBQOSA-N 434.506 5.702 30 20 IKED N#CC[C@H](CC(=O)N(c1cccc(Cl)c1)c1nc2ccccc2s1)c1ccccc1 483059431 LUZJANKJZAQAGB-GOSISDBHSA-N 431.948 6.702 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1 483329112 CSIXKHQXSNLSGV-GQIGUUNPSA-N 447.526 6.715 30 20 IKED N#Cc1cc2c(nc1NC(=O)CCc1nc3cc(C(F)(F)F)ccc3s1)CCCC2 484167085 XMMSBZOZSJSBQF-UHFFFAOYSA-N 430.455 5.032 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(CCC(F)(F)F)Cc1ccccc1 484568602 BCBTVWOHBURCAL-MRXNPFEDSA-N 449.498 5.001 30 20 IKED C=CCn1c(SCc2nc(O)c3c4c(sc3n2)CCCC4)nnc1-c1cccs1 489433511 UOWSUXXENINLNY-UHFFFAOYSA-N 441.607 5.074 30 20 IKED O=C(CN[C@H](c1ccccc1OC(F)F)C(F)(F)F)Nc1ccccc1C(F)(F)F 491329014 KSTNWNIECVUSJC-OAHLLOKOSA-N 442.306 5.139 30 20 IKED N#Cc1ccc(Br)c(CSc2nnc(Cc3cccs3)n2C2CC2)c1 491832558 RNXVLAPKCNWBRX-UHFFFAOYSA-N 431.384 5.192 30 20 IKED CCN(C(=O)CCc1c(C)nn(CCC#N)c1C)[C@@H](c1ccc(Cl)cc1)c1ccccn1 497900674 GBWPKBBHKGCQCI-VWLOTQADSA-N 449.986 5.033 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@@H](C#N)c4ccccc4Cl)cc3)o2)cc1 499945399 FZWVEUSNNGWWRK-NRFANRHFSA-N 428.879 5.360 30 20 IKED CC(C)Oc1cc(Br)cc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1 504012812 JVLATOFIQOAZET-UHFFFAOYSA-N 425.326 5.037 30 20 IKED CCOc1ccccc1Oc1ccc(CNC(=O)Nc2cc(C#N)ccc2OC(C)C)cn1 505953532 ILHHAZGLODXCBB-UHFFFAOYSA-N 446.507 5.253 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)c2cccc(NC(C)=O)c2)cc1 508282718 VQMMZBGJLVWSEG-INIZCTEOSA-N 444.491 5.200 30 20 IKED CN(C(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCSc2ccc(Br)cc21 510035718 OJJWCNSUNGTBJA-INIZCTEOSA-N 436.762 5.675 30 20 IKED CC(C)(CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1cccc(C(F)(F)F)c1 511489862 APKZBCVWXLGFFD-UHFFFAOYSA-N 447.476 5.027 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1 512531437 URPILMCDWSWNEH-UHFFFAOYSA-N 446.488 5.042 30 20 IKED N#CCCCOc1cccc(NCc2cn(Cc3ccccc3)nc2-c2cccs2)c1 513202362 QSBYXCKBJNKPMJ-UHFFFAOYSA-N 428.561 5.955 30 20 IKED CCOCCOc1c(Cl)cccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 517657039 HWQGKGPBUIWWEZ-UHFFFAOYSA-N 437.883 5.067 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 518062214 SXVPXQTXTLGFNZ-SANMLTNESA-N 439.515 5.245 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCC2 518402208 KAOYFRZVKKLESB-AWEZNQCLSA-N 445.569 5.791 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCCOc3ccc4c(c3)CCC(=O)N4)cc2)cc1 519979089 KQIFHNSZAGEBGK-UHFFFAOYSA-N 441.487 5.033 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ccc(F)cc2)n1)c1nc(-c2c(F)cccc2F)cs1 520427710 WALQTHCXOJIOHL-ZDUSSCGKSA-N 441.459 5.841 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 520478705 CZAKZNUWEUJPMW-JOCHJYFZSA-N 442.966 5.108 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)s2)cc1 520791384 VVLYRZGQQUFFSE-INIZCTEOSA-N 446.576 5.044 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(Cl)c2cccnc12 520832713 PFGJWFXCHPMRQO-HNNXBMFYSA-N 442.009 6.154 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 520855414 LXOLVKICFIRVHM-KSSFIOAISA-N 431.508 5.739 30 20 IKED COc1cccc(C[C@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 520941206 GDFQCABHECCCCY-JOCHJYFZSA-N 427.504 5.598 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)cc1 521243485 NSQTUSZONALDDF-UHFFFAOYSA-N 428.460 5.185 30 20 IKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)N(C)Cc1cccc(F)c1 521733803 LEJCJIAQTZAXMO-CQSZACIVSA-N 439.478 5.309 30 20 IKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cccs1 521807533 OZIULWCYFYKVDS-OAQYLSRUSA-N 433.533 5.254 30 20 IKED N#C[C@@H](NC(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1ccc(Cl)c(Cl)c1 521886227 OVEXMQKJDNYJSJ-HXUWFJFHSA-N 430.335 5.507 30 20 IKED CCCOc1ccc(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)cc1OCCC 523536968 WIHFBBHPIDBGLG-UHFFFAOYSA-N 432.524 5.191 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCSC[C@@H]2c2ccccc2)cc1 523768429 QLWMFUMFLOEPJZ-RUZDIDTESA-N 443.572 5.654 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCCC[C@@H]2c2ccccc2C(F)(F)F)c1 524436714 HEKAKKQGJNHCPS-QGZVFWFLSA-N 439.384 5.938 30 20 IKED C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccccc1C(F)(F)F 525224432 GNCKKHGJCWAKQX-CYBMUJFWSA-N 430.455 5.507 30 20 IKED Cc1ccc(C#N)cc1NC(=O)NC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 530603556 DWXAFLFDSOOOIF-NQIIRXRSSA-N 430.474 5.090 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(-c3ncco3)c2)cc1 532841382 JLVMTCORWJVAPF-UHFFFAOYSA-N 426.451 5.587 30 20 IKED CC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1c(C)noc1C 533855811 ZNVXTEKMKCJHCR-FQEVSTJZSA-N 438.915 5.668 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@@H](C)c2ccc(-c3ccncc3)cc2)n(C2CCCC2)c1C 539339022 ATKPZJQGGKEIPZ-IBGZPJMESA-N 441.579 5.443 30 20 IKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1F 541968118 LMPKUNJBZWJJBE-JLTOFOAXSA-N 447.963 5.183 30 20 IKED CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)N1CCC(CC#N)CC1 542901702 JHEFRCCAVDMZGU-UHFFFAOYSA-N 431.945 5.403 30 20 IKED COC(=O)c1ccc(-c2nc(CN[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)co2)cc1 542945268 NZVSTZVNCVFECZ-GOSISDBHSA-N 437.499 5.518 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ccc(Br)s2)s1)c1nc2ccccc2o1 542950495 COFBYNCFRNWKGK-SNVBAGLBSA-N 429.320 5.870 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1cccc(F)c1F)C(F)(F)F 543189227 NYHXGYDEAILYPB-HXPMCKFVSA-N 443.441 5.048 30 20 IKED N#CCCn1cc(/C=C\c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c2ccccc21 547193645 GZOYSEAKNAVQEH-TWGQIWQCSA-N 438.447 5.089 30 20 IKED CC(C)Oc1c(Cl)cccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 554474432 ACAHHPPIRQKDLM-UHFFFAOYSA-N 431.895 5.213 30 20 IKED Cc1cc(O)nc2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)ccc12 558070373 YWRNGMZVXMOGHQ-UHFFFAOYSA-N 429.863 5.819 30 20 IKED COCCNc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 561523957 LYSHHNGLFOOWOJ-QHCPKHFHSA-N 448.954 5.375 30 20 IKED N#Cc1cccc(-n2ccc(C(=O)N3CCC(c4c(Cl)cccc4Cl)CC3)n2)c1 564127501 UAAYAOVPXFMUIY-UHFFFAOYSA-N 425.319 5.071 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)CC1 573140846 HZRXBITWZLYRBO-UHFFFAOYSA-N 430.558 5.117 30 20 IKED N#Cc1cc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)nc2ccccc12 576430583 UYBBMCBWMWARTF-UHFFFAOYSA-N 436.258 5.248 30 20 IKED CCN(C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)[C@@H](C)c1ccc(C#N)cc1 583089125 LMFAGERCTFDVJW-INIZCTEOSA-N 425.960 5.097 30 20 IKED CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1 587700993 DTTQFQNKTYFJKC-KRWDZBQOSA-N 449.551 5.040 30 20 IKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccc(C(F)F)cc1 588021070 IVVJTFZTCJMPTR-UHFFFAOYSA-N 443.290 5.759 30 20 IKED N#CCCCCCC(=O)Nc1cc(-c2nc3ccc(Br)cc3[nH]2)ccc1Cl 588938595 SPHAKRFJOCJTKZ-UHFFFAOYSA-N 445.748 6.058 30 20 IKED Cc1ccc(Nc2nnc(SCCC(=O)Nc3sc4c(c3C#N)CCC4)s2)cc1 589937758 GGPOBMXKJVCTLJ-UHFFFAOYSA-N 441.607 5.133 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2n[nH]c(/C=C\c3ccccc3)n2)c1 598953318 RCDCGIBDHXPEIN-OEIFXAAASA-N 431.565 5.019 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)SCc1ccc(Br)cc1 603452420 DSXRUCNIRRPNNO-HNNXBMFYSA-N 433.371 5.026 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1 603530313 VDBALIUTVBQHIA-UHFFFAOYSA-N 433.577 5.023 30 20 IKED COCc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)sc2cccc(F)c12 603624307 ZVPOOXBOBSACGR-UHFFFAOYSA-N 433.464 5.498 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(-c3cccc(Cl)c3)o2)c1C 603905731 QFGDWRTTXOYLDC-UHFFFAOYSA-N 426.929 5.046 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(Br)cc3Cl)cn2)cc1 603961981 SOUVLASEMIXLTP-UHFFFAOYSA-N 428.673 5.414 30 20 IKED CC(C)(C)Oc1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 604444009 LPSQWZAQVCZJAX-UHFFFAOYSA-N 443.547 5.831 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1 606782835 IXNRQFTUJIBXCC-UHFFFAOYSA-N 434.458 5.279 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c2)cc1 607274229 GQXYERJJKIQQQD-IBGZPJMESA-N 428.904 6.055 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(CCC#N)c1ccc(F)cc1 609493253 ISZGRMLSOPGFEN-UHFFFAOYSA-N 433.430 5.837 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(OC(F)F)c4ncccc34)cc2)nc1 609501825 DPXWTQVLQYSEMZ-UHFFFAOYSA-N 432.386 5.147 30 20 IKED Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 609502632 RNUFIDRAMCPMHT-DEOSSOPVSA-N 449.514 5.429 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)ccc1OCc1ccc(Cl)cc1 613290696 KCXFXBXKSNCTRF-OAQYLSRUSA-N 442.902 5.966 30 20 IKED N#C[C@H](C(=O)c1ccccc1OCc1ccc(Br)cc1)c1nc2ccccc2o1 614439871 RMJCNZQNLIZJJB-GOSISDBHSA-N 447.288 5.659 30 20 IKED C=CCn1c(SCc2cccc(C(=O)N3CCCCC3)c2)nnc1-c1ccc(OC)cc1 614508496 WTGRHLKJUZCCMP-UHFFFAOYSA-N 448.592 5.058 30 20 IKED C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 642281134 LGSNPECKDBNZLX-UPRAQXHNSA-N 435.936 5.548 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@H](c2cc3ccccc3[nH]2)C1 670199610 VKRFCAVYMHWGMW-QHCPKHFHSA-N 441.579 5.436 30 20 IKED CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 678371810 KKGFFGVBXMQPAW-BBJCOLAGSA-N 444.391 5.110 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 726475553 QREIVVSDQYSTMQ-HNNXBMFYSA-N 448.419 5.855 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)ccc2C)[n+]2ccc3c(c2)CCCC3)c1 726572794 GBHDNLPFQSBUCW-UHFFFAOYSA-O 439.604 5.774 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(C)c(-c2ccc(F)cc2)s1 726732262 CSUGBUXFRJXOJZ-HXUWFJFHSA-N 434.536 5.949 30 20 IKED CC(=O)Nc1ccc(/C=C\C(=O)c2sc(/C=C\c3ccc(NC(C)=O)cc3)nc2C)cc1 726848634 SOYZQHPJIHHVQB-SFGFDRCGSA-N 445.544 5.435 30 20 IKED Cc1ccc(COc2ccc(C[C@@H](C)NC(=O)c3ccccc3SCC#N)cc2)cc1 727111145 VKNOGPUFCFNYDM-HXUWFJFHSA-N 430.573 5.551 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccccc3OC(F)(F)F)n2)cc1 727631633 HGNXONKAASZYHB-KRWDZBQOSA-N 441.434 5.389 30 20 IKED COc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2cnc(-c4ccccc4)nc2)CC3)cc1 727780170 IOQNMKRFIKZRCQ-UYRXBGFRSA-N 425.513 5.488 30 20 IKED N#CCCn1cc(C(=O)COC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)c2ccccc21 727925323 AZSKPIHFQQDXIA-IAGOWNOFSA-N 441.314 5.391 30 20 IKED Cc1cc(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C)n1-c1ccc(C#N)cc1 728269385 KJFSKYJXYDDADA-HZPDHXFCSA-N 443.391 5.169 30 20 IKED CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)/C=C/c1ccccc1C#N 728838724 VWRAHDBJEJBWRI-JXMROGBWSA-N 449.860 5.119 30 20 IKED N#CCOc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)cc1 729241256 SAUBTERDHAPHMA-UHFFFAOYSA-N 446.963 5.841 30 20 IKED Cc1ccc(Nc2nn(CN3CCC(Oc4cccc(C#N)c4)CC3)c(=S)s2)cc1 729470764 BDGKLSNXVJJPJV-UHFFFAOYSA-N 437.594 5.099 30 20 IKED Cc1nc(-c2cccc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)c2)[nH]c1C 730213168 JBBOEZXFHCINFQ-UHFFFAOYSA-N 426.451 5.749 30 20 IKED C[C@@H](OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(=O)Nc1ccccc1Cl 730375040 BMVIQJAYBCCYAE-CQSZACIVSA-N 438.842 5.327 30 20 IKED CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)CC1=O 730420772 FYQBGFDWRIDKJH-RLFYNMQTSA-N 435.524 5.178 30 20 IKED C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(SC(F)(F)F)cc1 730997071 JNSVNDUPDRIUCE-LBPRGKRZSA-N 432.514 5.351 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1sc2ccccc2c1Cl 731060697 JJVHQUYGNHTNSO-CYBMUJFWSA-N 444.965 5.602 30 20 IKED N#CCOc1ccc(CC(=O)Nc2cc(Cl)ccc2Oc2ccc(Cl)cc2)cc1 731957870 BPIVWVROBVOLBJ-UHFFFAOYSA-N 427.287 5.869 30 20 IKED N#Cc1cccc(OCCCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 732495729 GUSAALMGNMDEAM-FQEVSTJZSA-N 435.936 5.761 30 20 IKED COc1ccc(NC(=O)Nc2cccc(OCCCC#N)c2)cc1NC(=O)OC(C)(C)C 733620077 OWLFOSNRPPCZIC-UHFFFAOYSA-N 440.500 5.369 30 20 IKED C=CC[C@H](NC(=O)N1CCC[C@@H]1c1cc(Br)ccc1OC)c1ccncc1 734684434 RKJKGMJBHOILKV-RBUKOAKNSA-N 430.346 5.017 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C)c(NC(=O)NC(C)(C)C)c2)cc1 741110846 AFGSAFGXNOBOMK-OAQYLSRUSA-N 448.567 5.219 30 20 IKED CCOc1cc(/C=C/C(=O)c2cccc(-c3ccncc3)c2)cc(Br)c1OC 741472013 DKCONIBAFGMKDY-BQYQJAHWSA-N 438.321 5.815 30 20 IKED C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 743093704 XNZTTYCLLKUJGL-UFPGJGBJSA-N 430.596 5.460 30 20 IKED CCc1ccc(-c2ccc(C(=O)[C@H](C#N)C(=O)Nc3cc(C)c(Cl)cc3OC)o2)cc1 744028591 KQAZZDLSRBYUAQ-KRWDZBQOSA-N 436.895 5.441 30 20 IKED Cc1cc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)c(C)n1-c1nccs1 744738821 NNUSFKPUNPKPNI-UHFFFAOYSA-N 445.573 5.180 30 20 IKED C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(-c2cccs2)nn(CN2CCC(C#N)CC2)c1=S 747078796 FCWSNGTXMGEBCE-DSLXNQLJSA-N 427.643 5.333 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(F)c1 747109128 WVFPUWKLIMUPGI-DYESRHJHSA-N 444.462 5.174 30 20 IKED COc1ccc(/C=C\C(=O)c2ccc3ccccc3c2OC(F)F)cc1OCCCC#N 747361424 MHLJTVYZXVPHEX-WQLSENKSSA-N 437.442 6.028 30 20 IKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 747976076 ODXCXUIDIYBLBU-DOEKTCAHSA-N 439.559 5.974 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)CCCC(=O)c3ccc(Cl)c(Cl)c3)o2)cc1 754312075 ZUWWVGONMAXCCS-UHFFFAOYSA-N 444.274 5.011 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cc(-c3ccccc3)cnc2C)ccc1OC 760805421 CUIDQLQPFCBYJK-OAQYLSRUSA-N 430.508 5.068 30 20 IKED C=CC[C@H](N[C@@H]1CCCc2nc(-c3ccc(Br)cc3)sc21)c1ccncc1 766021863 VCUBGVNKMZGINC-RBUKOAKNSA-N 440.410 6.252 30 20 IKED Cc1cccc([C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2ccccn2)c1 766265519 WJEPNXWUQLZGAH-AHKZPQOWSA-N 432.527 5.957 30 20 IKED C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 766352318 WSJJBJXSOQTTAL-GWCFXTLKSA-N 435.293 5.392 30 20 IKED COc1cccc([C@H](C#N)NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)c1OC 768151006 CJGXKBXYVGREIS-NRFANRHFSA-N 439.471 5.020 30 20 IKED C[C@H](N[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21)c1cccc(C#N)c1 769691497 OCLYLUFWJSENND-MNDLBQGCSA-N 433.552 5.112 30 20 IKED CCCCCCCCc1nnc(NC(=O)N[C@@H]2CCOC3(CCSCC3)C2)s1 771442423 JAXAVLUQNPRPRU-MRXNPFEDSA-N 426.652 5.007 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2csc(-c3csc(C)n3)c2)ccc1OC 772979798 MWKVXPQPHDSPGM-KSSFIOAISA-N 427.595 5.720 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1)c1nc2cc(F)ccc2s1 779206482 NWHVYBRXKZDOPW-OFCAXSSNSA-N 447.535 5.085 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 780668745 YBRQXIBIJINTKY-IQGLISFBSA-N 427.504 5.214 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 781033945 FFYKKNNWMZFZFT-SFHVURJKSA-N 446.506 6.476 30 20 IKED CC(=O)c1ccc(Oc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)cc2)cc1 783352782 IJTALMGPLICFQW-FQEVSTJZSA-N 432.863 5.296 30 20 IKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N 784396958 DKZGNYBHCRUTBY-MOPGFXCFSA-N 443.503 5.003 30 20 IKED O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1c(C(F)(F)F)ccnc1Cl 785704221 MGPKUXIDSHNTRI-UHFFFAOYSA-N 440.746 5.373 30 20 IKED Cc1c([C@@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)oc2ccccc12 792345653 YQCPMBXKUATHDJ-JPYJTQIMSA-N 437.499 5.213 30 20 IKED Cc1nccc(CON=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)n1 794714891 RVAGUDBJOOXAGT-UHFFFAOYSA-N 439.515 5.494 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)OC(=O)c1ccnc(C#N)c1 796735297 HGGAWVJQUSAFPV-GFCCVEGCSA-N 428.311 5.066 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)OCc2cncn2CC(F)(F)F)c1 797123918 CYJHFTMAFMSURX-UHFFFAOYSA-N 435.789 5.120 30 20 IKED CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 801612799 QUDQHNXQKUIOOH-ATIYNZHBSA-N 448.567 5.111 30 20 IKED CC(C)(CCC#N)CNC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 806258604 WBLJKZDWOPFJEW-UHFFFAOYSA-N 428.455 5.504 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc3cc(Br)ccc3[nH]2)cc1 915086311 SLNWHRKASOCMCB-HXUWFJFHSA-N 430.305 5.838 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 915086344 UDUMIGKNBXOOJG-VWLOTQADSA-N 431.495 5.847 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 915353498 USNBOHGNPSLLNG-RPWUZVMVSA-N 428.536 5.284 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CCC[C@@H]2c2nc3ccccc3s2)c1=S 915814357 XCGFZXFVQMPYNM-GOSISDBHSA-N 434.594 5.066 30 20 IKED CCOc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)ccc1OC(F)F 916546011 AVIQRBGDQSIVNO-UHFFFAOYSA-N 438.887 5.106 30 20 IKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)c1 916893326 YXDNHKAXQQGLNI-KRWDZBQOSA-N 445.327 5.692 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C\c1cc(C)n(C2CCCCC2)c1C 916904144 XGQYQBKMWVNITG-UPTOSOBMSA-N 445.607 6.096 30 20 IKED N#C[C@H](C(=O)CCCc1ccc(Cl)cc1)C(=O)Nc1ccccc1Oc1ccccc1 916905604 MLVSPSZNHJBVLO-OAQYLSRUSA-N 432.907 5.803 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cc2cc(Br)ccc2o1 916919349 WXMFMYFQXQHDMG-KRWDZBQOSA-N 433.261 5.310 30 20 IKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)COC(=O)CCC(C)(F)F)c2C#N)C1 919294150 TUDGZUOPCFHWJD-ZDUSSCGKSA-N 426.529 5.078 30 20 IKED N#Cc1cccc(NC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)c1 919827916 WGKCXLGLIRIQPJ-UHFFFAOYSA-N 429.277 5.183 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1NC(=O)c1ccccc1 920106234 VNJKNTQPTHTYRD-NRFANRHFSA-N 435.483 5.242 30 20 IKED N#C[C@@H](C(=O)C1(c2cccc(F)c2)CCCC1)c1nc(-c2c(F)cccc2F)cs1 920804240 MUCWTSHTKIFNMJ-INIZCTEOSA-N 426.463 5.916 30 20 IKED N#C[C@H](C(=O)C1(c2cccc(F)c2)CCOCC1)c1nc(-c2c(F)cccc2F)cs1 920805442 KAIIXDPJHHVVPS-MRXNPFEDSA-N 442.462 5.152 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccnc4ncccc34)CCC2)cc1 1789457958 IEQKCPJDBZJJBW-OAQYLSRUSA-N 440.547 5.146 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C)c(C)c2)[C@H]1c1cccnc1 1810505396 SUWLXGMSTVSHMN-ZEQRLZLVSA-N 433.596 5.010 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@]2(F)CCCC=C2F)CC1 1823755171 MDZWCKULPNOMIN-CJFMBICVSA-N 436.587 5.344 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 1831373076 MTUQGAIZVLPIHD-LWZKNFMGSA-N 443.031 5.275 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ccccc23)CC1 1832028252 JXBKADWOMRMQCA-AREMUKBSSA-N 430.592 5.267 30 20 IKED C=CCN(C(=O)c1cc(Cl)ccc1OC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14724048 MQSJGEWOPULYRS-UHFFFAOYSA-N 429.885 5.213 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)nc2cc(Cl)ccc2c1=O 21831438 QJKSBFNGACSALO-ZDUSSCGKSA-N 448.375 5.317 30 20 IKED C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccccc2Sc2ccccc2C#N)C1 60017302 RBEYQUSKQZQKER-UGKGYDQZSA-N 427.573 5.275 30 20 IKED C=C(C)COc1cc(CNCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)ccc1OC 60949400 CINKJFYXNAWDRV-UHFFFAOYSA-N 431.458 5.144 30 20 IKED C=CCn1c(SCCCc2nc(-c3ccccc3)no2)nc2cc(Cl)ccc2c1=O 61334819 JCDPOHGXCDZSLI-UHFFFAOYSA-N 438.940 5.011 30 20 IKED C=CCn1c(SCC(=O)N(CC)[C@@H](C)c2ccc(F)cc2)nnc1-c1ccccc1F 195677289 CYTXCNHHKWKDRH-INIZCTEOSA-N 442.535 5.111 30 20 IKED CCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OCC 253382574 IQRAHCYPYSEWBK-KRWDZBQOSA-N 426.925 5.751 30 20 IKED N#Cc1ccc(Sc2nnc(-c3ccc(Br)cc3)n2C2CCCCC2)nn1 301912331 GZUVLHQYOFHYQZ-UHFFFAOYSA-N 441.358 5.026 30 20 IKED COc1ccc([C@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)cc1Br 302768959 VBDOATLGWUCQEB-HNNXBMFYSA-N 435.321 5.487 30 20 IKED C=CCn1c(SCc2ccc(OCC(F)(F)F)cc2)nnc1-c1ccc(OC)cc1 302946536 JDMSUCJXGYGTBS-UHFFFAOYSA-N 435.471 5.373 30 20 IKED C[C@H]1C[C@H](C)CN(CCCCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 303022785 PEKKGQDHZYRXFX-SFTDATJTSA-N 435.637 5.338 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3C[C@H]3c3cccc(C(F)(F)F)c3)s2)cc1 303431707 FYGQCOMAMXUJBH-RBUKOAKNSA-N 427.451 5.367 30 20 IKED N#CCC[C@H](NC(=O)N1CCC(c2ccc(Br)cc2)CC1)c1ccccc1 409739115 HTSPAWRSISOJKR-NRFANRHFSA-N 426.358 5.383 30 20 IKED Cc1c(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)sc2ccc(C#N)cc12 428062358 VNEMINQSFVFTSL-UHFFFAOYSA-N 431.561 5.738 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)s1 430602952 IGIFWKPXHFIHLV-NSHDSACASA-N 436.434 5.274 30 20 IKED CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c1 433159753 FLDXFXIOBVMUAU-FQEVSTJZSA-N 426.948 5.377 30 20 IKED N#CCCn1cc(CN(Cc2ccccc2)Cc2ccc(F)cc2)c(-c2ccncc2)n1 435135252 NRLDNUAPGRRYRW-UHFFFAOYSA-N 425.511 5.200 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 438653475 ZNPKDOGBVBLOOI-UHFFFAOYSA-N 445.454 5.441 30 20 IKED Cc1sc2nc([C@H](C)Nc3ccc(Oc4ccccc4C#N)c(F)c3)nc(O)c2c1C 439655763 ZQQOYOOIUGQWQX-ZDUSSCGKSA-N 434.496 5.990 30 20 IKED Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@H](C)CO1 460400893 BKRSIOPYLUTPIM-CJAUYULYSA-N 430.479 5.400 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 460958302 KJUKQBISOHNOAA-UKILVPOCSA-N 444.579 5.248 30 20 IKED N#Cc1cccc(-c2nnc(N3CCCC[C@H]3c3ccccc3)n2C[C@H]2CCCCO2)c1 461854618 ROIOZFSEZBAEOX-RPWUZVMVSA-N 427.552 5.117 30 20 IKED C[C@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(F)cc1F 466439990 CBOQKGUXODCTJK-QGZVFWFLSA-N 435.474 5.535 30 20 IKED CC(C)(C)c1ccc(SCC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 469952524 IGTPTJGFQBEHBO-UHFFFAOYSA-N 435.593 5.298 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCSC4(CCOCC4)C3)cc2Cl)cc1 473660575 SIJWWUPFDCXSPG-UHFFFAOYSA-N 443.956 5.134 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1cccnc1-c1ccc(Cl)s1)c1ccccc1 474524360 VKYGFNHDNGIWPM-UHFFFAOYSA-N 438.940 5.129 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 475550617 HYVIAAVSQGOUKZ-SFHVURJKSA-N 435.568 5.079 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccccc1)[C@H](C)CN1CCOCC1 475575705 SABBGHNMBFDNHM-JOCHJYFZSA-N 435.612 5.293 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CCNC(=O)c1ccc(Br)cc1 476149130 NIKLGMCCUVKIPP-UHFFFAOYSA-N 429.358 5.060 30 20 IKED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)cc1 481040840 UYGSRXOOIDXIET-VGSWGCGISA-N 439.581 5.039 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccccc1C 481373190 NDGKRSNBDZJCIL-HNNXBMFYSA-N 437.956 5.996 30 20 IKED N#Cc1cc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)ccc1OCC(F)(F)F 481934687 ZTOGMVXSSSVNNJ-UHFFFAOYSA-N 445.422 5.065 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)C[C@@H](c3ccccc3)C(F)(F)F)c2)c1 483406086 FTZOWNPJGXYZEE-NRFANRHFSA-N 437.421 5.485 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2nc3c(Cl)cccc3s2)nnc1-c1ccco1 486169625 YYDXHPNXEPEASF-UHFFFAOYSA-N 445.957 5.108 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC(c4n[nH]c(-c5ccccc5)n4)CC3)c2)cc1 486624553 HDNBORGZNJQSET-UHFFFAOYSA-N 449.514 5.155 30 20 IKED Cc1ccc2ncc(C#N)c(OCC(=O)N3CCc4sccc4[C@H]3c3ccccc3)c2c1 488287338 CDICMWAPJLLRRB-RUZDIDTESA-N 439.540 5.030 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)N[C@H](CC)c3ccc(Cl)cc3)o2)cc1 489807763 KPKQJZNPZMCQGM-LJQANCHMSA-N 443.956 5.314 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H](C)NC(=O)c1ccc(Cl)cc1 498492598 TZHGBJSYVAWSNL-QGZVFWFLSA-N 449.913 5.011 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCc1nc(-c2cccs2)no1 501166194 WKGISILUIZDHCJ-UHFFFAOYSA-N 446.507 5.283 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@](F)(c3cc(C)cc(F)c3)C2)cc1 502175440 VZHCEBUPDCJGIU-RUZDIDTESA-N 439.506 5.051 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1 506954486 SCMWBLXYGGQYOW-INIZCTEOSA-N 445.363 5.046 30 20 IKED C=CCOc1cccc(NC(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)c1 509114842 XIWWYIYWUREGGD-UHFFFAOYSA-N 441.281 5.112 30 20 IKED CCN(C(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C)[C@H](C)c1ccc(C#N)cc1 509559589 MAXSZSGGGDIGDK-QGZVFWFLSA-N 443.576 5.836 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 510857094 NTXWQLWMYFUWEH-UHFFFAOYSA-N 446.526 5.394 30 20 IKED N#Cc1c(NC(=O)c2cc(-c3ccccc3Cl)on2)sc2c1-c1ccccc1CC2 511060099 DDXFVNBTWPDBBU-UHFFFAOYSA-N 431.904 5.946 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)nnc1-c1cccc(C)c1 514955419 XUIVAMPSTUGODL-IRXDYDNUSA-N 441.000 5.451 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CN[C@@H](C)c2ccc(Oc3cccnc3)cc2)c1C 516074706 XVXZFRILYLLWMI-NRFANRHFSA-N 428.536 5.088 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1 516714277 ZCLKBXKHQBVCKY-HXUWFJFHSA-N 442.425 5.372 30 20 IKED Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 517113924 MGNIKVNNIWPSBR-MRXNPFEDSA-N 433.895 5.128 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)O[C@H](C)C2 517491997 HGUXZHHLHGDBAH-BEQMWEJSSA-N 445.346 5.200 30 20 IKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 520924502 ZJNJZOSQBBGMQU-IRXDYDNUSA-N 427.595 5.088 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 521810633 XDTVQIBIHLXNOF-YCRPNKLZSA-N 425.554 6.193 30 20 IKED Cc1ccc(NC(=O)Cc2noc(-c3cccc(Oc4cccc(Cl)c4C#N)c3)n2)cc1 522573998 LRXIFLSISHKOHO-UHFFFAOYSA-N 444.878 5.544 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(Cl)c1Cl 522813015 FNUIJZOOHSZCJP-OLZOCXBDSA-N 436.364 5.204 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)c1 524436758 IXHBHDGAJLPJNK-KRWDZBQOSA-N 439.384 5.938 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)cc1 524635567 DPGMEILCGXBXRA-UHFFFAOYSA-N 442.519 5.598 30 20 IKED Cc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)ccc1NC(=O)CC(C)C 525653911 GTVRCNCSCMLPKL-UHFFFAOYSA-N 441.531 6.204 30 20 IKED C=CCN(Cc1nc(O)c2ccc(Cl)cc2n1)Cc1cc(Br)ccc1F 532523627 BEYBKBLYHPUOKA-UHFFFAOYSA-N 436.712 5.079 30 20 IKED C=CCC[C@H](NC(=O)N1CCC([C@H](O)C(F)(F)F)CC1)c1ccc(C(F)(F)F)cc1 533547090 GQCORDKRSCCKKG-IRXDYDNUSA-N 438.412 5.058 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccccc1)[C@@H](C)CCO 536815757 LAGUUSSZAIUMSU-NRFANRHFSA-N 443.547 5.251 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NCCCC1(C#N)CCOCC1 540809360 GKJCWYDQEHXCNG-UHFFFAOYSA-N 445.485 5.779 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H](c4n[nH]c(-c5ccccc5)n4)C3)c2)cc1 540852211 DBUBWANVMIQNMB-QFIPXVFZSA-N 449.514 5.155 30 20 IKED Fc1ccc(-c2noc(CN[C@@H](c3ccc(OC(F)(F)F)cc3)C(F)(F)F)n2)cc1 541085293 ODSCWNBXFBWJTN-HNNXBMFYSA-N 435.299 5.168 30 20 IKED CCN(Cc1ccccc1NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(C)=O 541994541 WYKHDUMUZUPAEV-LJQANCHMSA-N 440.547 5.476 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C)[C@@H]1OCCc2sccc21 550226298 FTEVDQPBPGELLS-XDHUDOTRSA-N 432.545 5.396 30 20 IKED N#CCC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2cccs2)CC1 555438275 JBIZDTUNZPJZBD-UHFFFAOYSA-N 444.029 5.464 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1)C1CC1 561630421 OTUSYJXAQXUPMY-UHFFFAOYSA-N 445.906 5.772 30 20 IKED CN(C(=O)c1cncc(C(F)(F)F)c1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 568690098 DUPHPCNWFWKSRK-CYBMUJFWSA-N 430.270 5.495 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)C(C)(C)c2csc(-c3ccc(F)cc3C)n2)cc1 571571656 QYWQJRKKXCAIMJ-UHFFFAOYSA-N 437.540 5.090 30 20 IKED COc1cc(CNc2ccc(Oc3ccnc(C#N)c3)cc2)cc(OC)c1OCC(F)F 575625893 XABOODFKZVIXOA-UHFFFAOYSA-N 441.434 5.019 30 20 IKED C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(c2nc3cc(Cl)ccc3s2)CC1 584482496 WVCARAYPQSBHRL-MRXNPFEDSA-N 444.004 5.005 30 20 IKED Cc1ccc(C2(c3noc(-c4cn(CCCC#N)c5ccccc45)n3)CCOCC2)cc1 589155565 ISFCANKZSFAUQR-UHFFFAOYSA-N 426.520 5.400 30 20 IKED CC(C)Oc1ccc(F)cc1NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 589735565 BLHBSTYSDYUDKT-PJXYFTJBSA-N 430.364 5.644 30 20 IKED COc1c(Br)cc(Cl)cc1NC(=O)c1ccccc1-c1ccccc1C#N 590768330 SJAISYRXOVRFLW-UHFFFAOYSA-N 441.712 5.902 30 20 IKED C=CCn1c(SCC(=O)N(C)C[C@H](C)CC)nnc1-c1ccc(Cl)cc1Cl 599585900 JVRUZXVJDZDNMN-CYBMUJFWSA-N 427.401 5.035 30 20 IKED Cc1nc(-c2ccc(CNC(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)s2)cs1 603692537 JUUZTDMTCODEFV-UHFFFAOYSA-N 447.545 5.561 30 20 IKED CCCN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@H](C)c1ccccc1OC 604499631 IOAGLNOZKIGCKS-GOSISDBHSA-N 430.508 5.759 30 20 IKED O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 605049634 GXPMPVZSWFUJLK-INIZCTEOSA-N 434.355 5.441 30 20 IKED C=CCOc1ccc(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 605103161 KMYQQAMPJQYELY-SIKLNZKXSA-N 432.486 5.083 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3cc(-c4ccccc4)nc4c3cnn4C(C)C)[nH]c12 605363172 MZKXXKXKBFBJIV-LJQANCHMSA-N 434.503 5.354 30 20 IKED C[C@H](CC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 606182616 VWFCKXVVPICIQL-LERXQTSPSA-N 435.330 5.788 30 20 IKED Cc1ccnn1-c1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 609104511 ZJXDADAUNBVFLC-UHFFFAOYSA-N 426.451 5.023 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)c3nccs3)cn2)cc1 609147636 YOOQXMWRTHWZFC-NRFANRHFSA-N 427.489 5.113 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 609382819 TZJISBNAVCDBMA-KZULUSFZSA-N 431.970 5.033 30 20 IKED Cc1ccc(Nc2cccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)c2)nn1 609875796 BWEOBQDIHYIBPP-UHFFFAOYSA-N 449.514 5.540 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(N3CCCC3=O)ccc2F)cc1Cl 610171774 TWKFKXDNLBEKLF-OAQYLSRUSA-N 447.897 5.514 30 20 IKED C[C@@H](NC(=O)[C@@](C)(Cc1nc2ccccc2s1)c1ccccc1)c1cccc(C#N)c1 610360042 QNPQKZWKPRKVPS-DWXRJYCRSA-N 425.557 5.546 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CC[C@H]2c2cccc(F)c2)cc1Cl 610384030 ZONGNUSLKMPYLW-GMAHTHKFSA-N 447.897 5.047 30 20 IKED Cn1cc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c(-c2ccccn2)n1 610775145 SXYZXUUTTKTYHP-UHFFFAOYSA-N 429.867 5.052 30 20 IKED C=CCc1cc(C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)cc(OC)c1OC 611973309 BKOWWMSQYIVNAT-UHFFFAOYSA-N 430.504 5.245 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)sc2nc(C(F)(F)F)ccc12 614381758 XZQVLIWQJXDUGI-NSHDSACASA-N 429.345 5.527 30 20 IKED CC(C)(C)[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)cc1 618556636 DNYNZHZILPIQDG-KCQAQPDRSA-N 428.392 5.685 30 20 IKED C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2cccs2)C1 619854609 HUKWZYHXRDEASF-FQEVSTJZSA-N 432.380 5.492 30 20 IKED O=C(Nc1ccc(F)cc1F)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 620161131 PLANXACDFXMVLM-UHFFFAOYSA-N 429.263 5.099 30 20 IKED CC(C)CN(Cc1ccccc1F)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 622093133 ZIBVCWUOBXWKOO-ZSHCYNCHSA-N 442.419 5.903 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)s2)cc1 642281753 POJQFMJECMGUSF-SFHVURJKSA-N 431.542 5.741 30 20 IKED C[C@H]1CCCN(c2cc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)ccn2)C1 643677986 FFTDJGRKOXKXMG-BBRMVZONSA-N 444.482 5.436 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1nc2ccccc2o1 726322831 OXBFZCGEOYYJRN-HNNXBMFYSA-N 427.407 5.389 30 20 IKED COc1cc(OC)cc(Oc2ccc(/C=C\C(=O)c3ccc(OC)c(NC(C)=O)c3)cc2)c1 726427494 MVAZCDYBHDVHHS-XFFZJAGNSA-N 447.487 5.359 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2csc(-c3cc(Br)cs3)n2)cc1 726940168 LWBZKPYEGPINTE-UHFFFAOYSA-N 432.368 5.503 30 20 IKED COc1ccc(-c2csc3ncnc(NN=Cc4ccc(O[C@H](C)C#N)cc4)c23)cc1 727684271 WIDLMSZBHVQQOT-OAHLLOKOSA-N 429.505 5.104 30 20 IKED COc1cc(/C=C\C(=O)c2sc(-c3ccccc3F)nc2C)c([N+](=O)[O-])cc1OC 728440950 AHYNIWBGTVEFQO-HJWRWDBZSA-N 428.441 5.079 30 20 IKED Cc1sc2nc([C@H](C)OC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)nc(O)c2c1C 728669952 VALBDWSABGFROS-AWEZNQCLSA-N 445.500 5.596 30 20 IKED N#CCOc1ccc(CSc2nnc(COc3ccccc3Cl)n2C2CC2)cc1 729241799 CKPKDINZAWQWLN-UHFFFAOYSA-N 426.929 5.040 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)cc1Cl 730686546 HGROKSYHCWCMSR-NHYWBVRUSA-N 439.726 5.182 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(C2SCCCS2)cc1 731029738 GTUQRXLDWWFXJS-MRXNPFEDSA-N 444.647 5.967 30 20 IKED CC(C)(C)OC(=O)N1CCc2cc(NC(=O)CCCCOc3cccc(C#N)c3)ccc21 731986845 SIMWYYBEWGHRRO-UHFFFAOYSA-N 435.524 5.044 30 20 IKED CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 732054596 XCSFXNDBEHNULN-UHFFFAOYSA-N 426.520 5.008 30 20 IKED N#C[C@@H](C(=O)[C@H](c1ccccc1)N1CCCCC1=O)c1nc(-c2ccc(Cl)cc2)cs1 733679996 RIGPSVFUMKGPQW-UGKGYDQZSA-N 449.963 5.394 30 20 IKED C[C@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1nc2ccc(Cl)cc2[nH]1 734103529 RFNUPKPZAPDOQM-HNNXBMFYSA-N 430.895 5.158 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)cs1)C1CC1 734306694 QCPPVSJAIRTOAX-RMKNXTFCSA-N 439.518 5.191 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)c2)c1 734316169 KXOPCHNCQPNDBH-UHFFFAOYSA-N 445.906 5.170 30 20 IKED C=CC[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccncc1 734508549 ATVDUIHKGCAMJG-XMMPIXPASA-N 425.492 5.250 30 20 IKED CC[C@@H](C)n1c(SCC(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)nnc1-c1ccccc1 735790926 SIZNCNUAHNJWSY-AEFFLSMTSA-N 444.564 5.069 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C(C)(C)c1cccc(Cl)c1 736916128 QNWJWQHBHCXJQY-HNNXBMFYSA-N 430.957 5.194 30 20 IKED C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 739156611 ZYSQGKNVPIAYPN-ABAIWWIYSA-N 443.252 5.538 30 20 IKED N#CC(CCOC(=O)c1cccc(OCC(F)(F)F)n1)(c1ccccc1)c1ccccc1 740422038 YWBPMFLIUQLFCL-UHFFFAOYSA-N 440.421 5.079 30 20 IKED C[C@@]1(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCCN(C(=O)c2ccccc2)C1 741901392 HTLBSJNIMGVKPV-LBNVMWSVSA-N 437.543 5.223 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)n1 747196535 MMUFVXPHUFVQNZ-IIBYNOLFSA-N 428.529 6.255 30 20 IKED COc1ccc2c(c1)O/C(=C\c1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)C2=O 749131502 AFRJTDSARUYUTG-OCKHKDLRSA-N 426.881 5.106 30 20 IKED COc1cc(C=NOCc2coc(-c3ccc(C(F)(F)F)cc3)n2)ccc1OC(F)F 755800517 BSWKHGGSAKQBTP-UHFFFAOYSA-N 442.340 5.521 30 20 IKED C=C[C@H](CC(=O)OCc1csc(N(C(C)=O)c2ccc(CC)cc2)n1)c1ccccc1 758915165 OZYYJPJALSSFOE-HXUWFJFHSA-N 434.561 5.793 30 20 IKED C[C@H](Cc1ccc(Br)cc1)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 765935244 ITMZOHPFVXJPDR-DYVFJYSZSA-N 426.339 5.023 30 20 IKED Cc1cc(C)cc([C@H]2NC(=O)N(c3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2=O)c1 771814963 CBWZMYBVGJNVOK-FYYLOGMGSA-N 429.907 5.410 30 20 IKED N#CCCCn1cc(C(=O)Oc2cccc(NC(=O)c3cccs3)c2)c2ccccc21 774093057 BJRMITJDMOFWJY-UHFFFAOYSA-N 429.501 5.478 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 777584219 ZQMLJVUBTJLLRK-IBGZPJMESA-N 434.584 5.220 30 20 IKED COc1cccc2[nH]cc(CCNC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)c12 778065196 JCTQSDYNNBGNGT-UHFFFAOYSA-N 425.488 5.007 30 20 IKED Cc1cc(C#N)ccc1NC1CCC(OC(=O)c2cnc(Oc3ccccc3)cn2)CC1 779235010 JXXSGUVZDYBQFY-UHFFFAOYSA-N 428.492 5.029 30 20 IKED N#C[C@@H](C(=O)Cn1c(Cc2ccccc2)nc2ccccc21)c1nc2cc(F)ccc2s1 780358962 PUBOBWZHMUBDAP-SFHVURJKSA-N 440.503 5.252 30 20 IKED C[C@@H](OC(=O)c1cn(CCCC#N)c2ccccc12)c1nnc(-c2ccccc2F)s1 785019933 VOQMOVITDZEFRB-OAHLLOKOSA-N 434.496 5.521 30 20 IKED Cc1ccc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cc1C(=O)N(C)C(C)C 787638840 RZNHLVXNBZGFEA-UHFFFAOYSA-N 428.536 5.007 30 20 IKED COc1cccc([C@@H](C)CCCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 789404247 RBTNJTFHCOCLKW-KBXCAEBGSA-N 433.335 5.623 30 20 IKED N#Cc1c(NC(=O)c2cc(C(F)(F)F)cnc2Cl)sc2c1-c1ccccc1CC2 790857081 MTRRJIFPWHKELM-UHFFFAOYSA-N 433.842 5.705 30 20 IKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)OCc1cc(C#N)ccc1F 794284390 DZQQOMJYANZOCC-UHFFFAOYSA-N 430.435 5.391 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2ccccc2-c2ncc3n2CCCC3)cc1OC 798241168 SMGBPWIUJJKOTA-WYMLVPIESA-N 429.520 5.112 30 20 IKED CC(=NNc1ccc(C#N)cc1C(F)(F)F)c1ccc(S(=O)(=O)C2CCCC2)cc1 799492152 JGNWOISNZFLBAE-UHFFFAOYSA-N 435.471 5.129 30 20 IKED C=CCCCCCCNC(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 806275193 XWMTZEBYJKOULI-UHFFFAOYSA-N 435.355 5.899 30 20 IKED N#C[C@@H](C(=O)Cc1ccc(Br)c(Cl)c1)c1nc(-c2ccncc2)cs1 810550320 WIKXYZHEGVCSTB-ZDUSSCGKSA-N 432.730 5.040 30 20 IKED N#C[C@H](C(=O)CCCSc1ccc(Br)cc1)c1cc(C(F)(F)F)ccn1 813215266 VNQHSZWMEQAFBT-HNNXBMFYSA-N 443.288 5.612 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(N2CCCOC2=O)cc1 814635674 JFZFVIMXMQUWCJ-IAGOWNOFSA-N 438.553 5.168 30 20 IKED N#C[C@@H](C(=O)CCc1nc(-c2cccs2)no1)c1nc2cc(C(F)(F)F)ccc2s1 915104104 KOURORNQOLMBJP-NSHDSACASA-N 448.451 5.236 30 20 IKED Cc1nn(-c2ccccc2)c(Cl)c1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 915107084 LTXFSDRSSMOJRY-AWEZNQCLSA-N 425.826 5.069 30 20 IKED Cc1ccc(C(=O)/C=C\c2cc(Br)c(O)c(Br)c2)cc1[N+](=O)[O-] 916138342 GYSMVVAMUADNFX-HYXAFXHYSA-N 441.075 5.030 30 20 IKED CCCCc1nnc(S)n1N=Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 916301901 DVQUWVZTIZFWBS-UHFFFAOYSA-N 431.905 5.146 30 20 IKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1Cl 916897621 MVDCACYIDBHJTJ-FQEVSTJZSA-N 448.906 5.197 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(CSc2ccccc2)cc1 916919705 ZDFIOHNMRMBKKH-XMMPIXPASA-N 436.536 6.093 30 20 IKED Cc1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916997583 WZYRKHHEUPWDSI-SUMWQHHRSA-N 431.344 6.069 30 20 IKED Cc1cc2occ(CC(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2cc1C 917044704 UVEBTBASCXZCFR-MRXNPFEDSA-N 428.435 6.097 30 20 IKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c1=S 917431106 YYZBFDRRBFSCNJ-GOSISDBHSA-N 449.555 5.384 30 20 IKED N#C[C@H](C(=O)[C@@H](Oc1ccccc1Br)c1ccccc1)c1nc2ccccc2o1 917510124 OZKRRFGIFYCTHW-ZHRRBRCNSA-N 447.288 5.587 30 20 IKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2cccc(C(C)C)c2)[n+]2cccc(C)c2)N=C1C 917614515 FECQHMBFICLQOR-UHFFFAOYSA-O 448.612 5.724 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(C)nn(-c4ccccc4)c3Cl)n2)cc1 920142041 JQOPACPBGIKXII-SFHVURJKSA-N 448.935 5.456 30 20 IKED C[C@@H](c1ccc2ccccc2c1)N(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)C1CC1 920415243 ZXHYRZDZRHPNLG-UUOWRZLLSA-N 432.527 5.602 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)cc3F)cc2)CCC1 1785942012 MAJMTIHUIDDYOG-UHFFFAOYSA-N 432.948 5.146 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cc(OC)cc(OC)c3)CCC2)cc1 1786102908 DVMHKQMCKJZFLN-UHFFFAOYSA-N 448.563 5.220 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ncccc4-c4ccccc4)cc3)CCC2)C1 1788800816 RIJQLZGYUPYOOA-UHFFFAOYSA-N 437.543 5.463 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ncccc3SCC)cc2)CCC1)C(F)(F)F 1790210172 HLTFXWYVJWHVHA-UHFFFAOYSA-N 449.498 5.060 30 20 IKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1[nH]c3c(Cl)cccc3c1C)C2 1793049180 RTCKLFHIXHZZEA-REPLKXPHSA-N 439.987 5.150 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CSC2CCCC2)[nH]n1 1814440487 SWASMUFUJWUDEK-LJQANCHMSA-N 432.634 5.070 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3cccnc23)n[nH]1 1818479951 NEAMFDUAUFBEIM-OAQYLSRUSA-N 445.567 5.256 30 20 IKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C(C)(C)C)oc2C)[nH]n1 1822575952 GQQZCLAFDPEIBA-FQEVSTJZSA-N 438.572 5.108 30 20 IKED CC(C)=CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823218313 QPGJJTRSZFTWFZ-PGRDOPGGSA-N 433.556 5.089 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3ncoc3c2)CC1 1823752064 KOVWXRQDTQRKOL-QFIPXVFZSA-N 437.584 5.054 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](c2ccccc2)C(C)C)CC1 1824243667 URZLUSXRCBIBPJ-PKTZIBPZSA-N 446.582 5.257 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc(F)c2F)CC1 1831569692 KKXGRYSPWONYKD-JOCHJYFZSA-N 446.582 5.119 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCC3CCCC3)CC2)c1 1832635154 VLWSXKCWHVFZRY-HFZDXXHNSA-N 449.639 5.517 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2cc(C)c(C)cc2C)[n+]2ccc(CC)cc2)cc1 10173855 LYHOCVUJRYEKRC-UHFFFAOYSA-O 447.624 5.911 30 20 IKED Cc1ccc(-c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCCC4)o2)cc1C 10843615 FDCAWSYTCQFUMS-UHFFFAOYSA-N 438.578 5.286 30 20 IKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccccc2F)cc1 11171218 ADPCFRXKIBEXLH-UHFFFAOYSA-O 447.599 5.950 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Br)cc2)[n+]2ccccc2)c1 14872040 ZDHKOPTXLAPIJS-UHFFFAOYSA-O 440.386 5.350 30 20 IKED CCN(CC)Cc1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 16780236 TZXGPTZYKFLCKV-UHFFFAOYSA-N 443.616 5.622 30 20 IKED C=CCn1c(S[C@@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)nc2ccccc21 18263071 HHELBUAPLADGRG-ZDUSSCGKSA-N 434.546 5.634 30 20 IKED C=CCn1c(SCC(=O)c2cc(C)n([C@H](C)COC)c2C)nnc1-c1cccc(C)c1 22212487 ZNXNXRORVOBGNM-GOSISDBHSA-N 438.597 5.040 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1csc(-c2ccc(F)cc2)n1 32040402 HGRGIPQBJRUPKH-QWRGUYRKSA-N 440.384 5.589 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 64456898 OBHALDGDYRSTGX-UHFFFAOYSA-N 436.924 5.241 30 20 IKED CCN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cccc2ccccc12 106220479 PAMWRVFDBLQAMF-UHFFFAOYSA-N 440.503 5.229 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC[C@@H]1c1nc2ccccc2s1 195632821 KLMNUUCQMRXZFD-GOSISDBHSA-N 429.467 5.213 30 20 IKED C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNCc2cn(CCC#N)nc2-c2ccccc2)C1 237601735 JKOSLRLBHOTHKL-DHIUTWEWSA-N 441.623 5.231 30 20 IKED Cc1cccn2cc(COc3ccc(CNc4cccc(OCCCC#N)c4)cc3)nc12 237857980 RYNWRBXKXLGHCY-UHFFFAOYSA-N 426.520 5.516 30 20 IKED C=CCn1c(S[C@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)nnc1-c1ccncc1 255930180 ZFRZXBCBJJBOJP-DEOSSOPVSA-N 440.572 5.859 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)CCCc3c[nH]c4ccccc34)s2)cc1 255949164 IFAZQAZAOIAEDX-UHFFFAOYSA-N 433.562 5.145 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1 429765307 ATGCTBMVCVMCML-BVAGGSTKSA-N 445.494 5.086 30 20 IKED C[C@H]1C[C@@H](NC(=O)c2ccccc2Sc2ccccc2C#N)CCN1Cc1ccccc1 430662631 ILGDULWOWBPVEJ-REWPJTCUSA-N 441.600 5.492 30 20 IKED COc1cc(C)ccc1Oc1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cn1 432673347 VKGGNTODYCEQHK-NRFANRHFSA-N 430.508 5.748 30 20 IKED CC(=O)Nc1ccc(NC(=O)N[C@H](c2cc(F)ccc2F)C(F)F)c(C(F)(F)F)c1 432904195 HMUAPJINFMVFSA-OAHLLOKOSA-N 437.315 5.070 30 20 IKED Cc1ccc(S(=O)(=O)N[C@@H](CN[C@@H](CCCC#N)c2ccccc2)c2ccccc2)cc1 433024449 CVEBLMICPDGAPP-UIOOFZCWSA-N 447.604 5.039 30 20 IKED O=C(c1cccc(C(F)(F)F)c1F)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 435357742 MSWWJGFIEXHHCZ-SECBINFHSA-N 426.357 5.340 30 20 IKED CCCc1c(NC(=O)c2sc(-c3cccs3)nc2C)cnn1-c1cccc(C#N)c1 440092081 MSKFQDUHGOILRS-UHFFFAOYSA-N 433.562 5.442 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ccc(C#N)c(C(F)(F)F)c4)cc3)o2)c1 443884659 YJLDAYNUZGGDNW-UHFFFAOYSA-N 448.404 5.855 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 446442587 SANMYDNYNWEJDM-VWLOTQADSA-N 446.982 5.326 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccccc2N2C[C@H]3CC[C@H]2C3)CC1 448088993 ONGFQFPOXFYJQK-YOLZPYMBSA-N 430.552 5.059 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)cc1 460646345 CMYQTTHQWSNPQS-QHCPKHFHSA-N 441.535 5.313 30 20 IKED N#Cc1ccc(-c2nnc(N3Cc4ccccc4-c4ccccc4C3)n2C[C@@H]2CCOC2)cc1 461593530 FJNPUMZITXDMOS-NRFANRHFSA-N 447.542 5.040 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(-c2ccccc2C(F)(F)F)on1 462194665 SKMOFKCXVLBYAS-YLJYHZDGSA-N 425.410 5.272 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)CCc1cccc(Br)c1 463732702 AMYOYXQRFLSIGE-OAHLLOKOSA-N 432.387 5.550 30 20 IKED N#Cc1ccc(SCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)c(Cl)c1 465388998 PNTFZCMWBNQEHF-MRXNPFEDSA-N 427.938 5.336 30 20 IKED CC1(C)[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)[C@@H]2CCCO[C@H]21 466128261 FYZUCNJSRFNWDE-IOMROCGXSA-N 425.916 5.329 30 20 IKED C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CCC(Oc2ccc(C#N)cc2)CC1 466833919 HWQAMYDJHPOSFU-CQSZACIVSA-N 443.334 5.519 30 20 IKED N#C[C@@H]1N(C(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)CCC[C@]12CCCCO2 468637392 FTEHADURQBTXQG-SIKLNZKXSA-N 446.334 5.248 30 20 IKED C[C@@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)c1cccc(F)c1 469085553 TYVNVVCOACAWFY-INIZCTEOSA-N 434.442 5.263 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 474424075 CCKWHCYJRMOKAQ-HNNXBMFYSA-N 431.970 5.754 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)C[C@H](CC#N)c1ccccc1)C(F)(F)F 476395829 GVYXKEJSCCRBCE-CVDCTZTESA-N 440.469 5.296 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Oc2cccnc2)c(F)c1 481078269 QWNJCMSANCFAOW-UHFFFAOYSA-N 432.499 5.252 30 20 IKED CCC(CC)[C@H]1C[C@@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCO1 481611634 LVRHRTSQRRMUSW-WIOPSUGQSA-N 435.568 5.437 30 20 IKED COc1ccccc1OCC(=O)Nc1cccc(N[C@@H]2CCCCc3cc(C#N)ccc32)c1 482001155 MESIGZDKEQNDNK-XMMPIXPASA-N 441.531 5.464 30 20 IKED COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)[C@@H](C#N)c2nccc3ccccc23)cc1 483242476 XCFXXWMHJXCBCV-QFIPXVFZSA-N 439.446 5.125 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Nc2ccc(OCC(F)F)cc2)cc1 483437355 GSXVTAYYYJUYRB-UHFFFAOYSA-N 437.446 5.620 30 20 IKED N#CCCC[C@H](NC(=O)CCCC(=O)c1ccc(Br)cc1)c1ccccc1 487429515 NVONXUJNTYZVIK-FQEVSTJZSA-N 427.342 5.353 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2C)nnc1-c1cccc(OC)c1 488898498 OMXMRDJIEYFDCI-OAHLLOKOSA-N 442.972 5.221 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(O)c3c(C)c(C)sc3n2)nnc1-c1cccs1 489457186 BNYMRSBTNICTGX-LBPRGKRZSA-N 429.596 5.373 30 20 IKED CCN(C(=O)CSCc1ccc(C#N)cc1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 497878856 JTHTZPGFQTUTSX-RUZDIDTESA-N 433.552 5.272 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl 498413352 KBJWVLJCHGZGSK-STQMWFEESA-N 436.364 5.002 30 20 IKED COc1cccc(CNC(=O)c2ccccc2-c2ccccc2C#N)c1OC1CCCC1 499251727 FKBKAPMOTRCXKC-UHFFFAOYSA-N 426.516 5.485 30 20 IKED Cn1ccnc1SCc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 501911157 WLHHBCJDWCKGKX-UHFFFAOYSA-N 440.528 5.629 30 20 IKED COc1cc(C)c(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 502314951 FZSMIRKIHYWEJT-IBGZPJMESA-N 435.911 5.965 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3cccc(CSC4CCOCC4)c3)CC2)cc1 503459744 JFFCMZMQFYPGJV-UHFFFAOYSA-N 433.577 5.292 30 20 IKED Cc1cc(NC(=O)[C@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)nn1CCC#N 504298619 IAJHDVGQQFJEJJ-HXUWFJFHSA-N 429.307 5.171 30 20 IKED COc1ccccc1OCc1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)o1 505321091 QEUKZAKZNSHKKX-INIZCTEOSA-N 431.275 5.169 30 20 IKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)CCc2nnc(-c3cc4ccccc4o3)o2)cc1 505820924 MNXRXAPPOKCAPU-IBGZPJMESA-N 428.492 5.094 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)[C@@H]1CCCN(C2CCC2)C1 511271927 XXDBIXYUGXTEJO-TZIWHRDSSA-N 432.568 5.434 30 20 IKED CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511338260 QLJICELMPWNPGM-UHFFFAOYSA-N 429.520 5.394 30 20 IKED CC(C)(C)c1csc(C2CCN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CC2)n1 511404743 LPRKEHVMLOXJBH-UHFFFAOYSA-N 446.576 5.519 30 20 IKED C[C@H](Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)C(=O)Nc1ccccc1C#N 512223339 BBJZYGJFDZMIAM-AWEZNQCLSA-N 426.398 5.203 30 20 IKED O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1ccncc1C(F)(F)F 512531683 HSWNVWCZRZMMBB-UHFFFAOYSA-N 445.294 5.698 30 20 IKED CCOc1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c(C(F)(F)F)c1 513233567 MKLVRJOEQRKSIG-UHFFFAOYSA-N 440.421 5.807 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccsc2Br)cc1 514012336 ARYJOSCMTMPDTR-UHFFFAOYSA-N 443.391 5.605 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C3(Cc4cccc(F)c4)CCOCC3)cc2)c1 516299239 NHBHTUFYPDYKKD-UHFFFAOYSA-N 444.506 5.254 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@@H]3CCCc4cn(C5CCCC5)nc43)cc2)ccn1 517442580 VOKQMUGOIOULPH-HSZRJFAPSA-N 442.523 5.256 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCc2csc(CC(=O)Nc3ccccc3)n2)n1 517911752 VJSDNPALNRJEDM-UHFFFAOYSA-N 448.495 5.211 30 20 IKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1 519087840 WWMRXTAOQPNQAH-DEOSSOPVSA-N 427.504 5.193 30 20 IKED COc1cc(C(=O)Nc2ccccc2SCCC#N)cc(Cl)c1OCCC(C)C 519405704 PJMVFXXQCHNVLO-UHFFFAOYSA-N 432.973 6.032 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 521078416 ZVWFTUFYCDFYJJ-SFHVURJKSA-N 427.529 6.049 30 20 IKED C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](C#N)c1ccc(Br)cc1 523139437 UYZVYGURSUWCQD-SJKOYZFVSA-N 425.248 5.028 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)c1 523503591 AKPNVBJQGXEZMN-FQEVSTJZSA-N 434.879 5.424 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2cnn(-c3ccccc3)c2)c1 524191954 VOZOOMKKLWNDNL-UHFFFAOYSA-N 428.879 5.120 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cccc(F)c1I 533069820 IKOPUPCRHYZINV-UHFFFAOYSA-N 448.260 5.283 30 20 IKED C[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc([S@@](C)=O)cc1 533749478 NCFBBNXLNRQWBI-DHMKHTPVSA-N 438.936 5.232 30 20 IKED Cc1ccc(C(=O)N[C@](C)(C#N)CC(C)C)cc1NC(=O)c1ccc(Br)cc1 534597544 BCKKJTBCSUNCES-QFIPXVFZSA-N 442.357 5.068 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3c([nH]c4ccccc34)C2)cc1Cl 534775849 IFWAAUXPMVEEEO-JOCHJYFZSA-N 440.934 6.067 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(OC)c(Br)s3)n2)cc1 535373954 GQNODOFOOBWPPS-LBPRGKRZSA-N 449.351 5.141 30 20 IKED Cc1ccc2oc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2n1 535406911 QCTOZMFNPZQUHM-CYBMUJFWSA-N 428.300 6.057 30 20 IKED N#CC1(CCCNc2ccccc2C(=O)Nc2ccc(Cl)c(Cl)c2)CCOCC1 537507465 YSCSXUTZXOGHNZ-UHFFFAOYSA-N 432.351 5.758 30 20 IKED CN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 542035939 ANYUBCIKEZZHSA-UHFFFAOYSA-N 433.821 5.080 30 20 IKED CCN(C(=O)Nc1cc(C#N)ccc1OCCOC)[C@@H](C)c1cccc(C(F)(F)F)c1 542425201 KIINBORAQXGCAO-HNNXBMFYSA-N 435.446 5.217 30 20 IKED N#Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cnc1C(F)(F)F 549376039 CRAPXCZEZHJBEG-SFHVURJKSA-N 440.812 5.533 30 20 IKED Cc1ccccc1NC(=O)Cc1noc(-c2ccc(Oc3ccccc3C#N)c(Cl)c2)n1 551238840 UZSLXBLRKHIBRL-UHFFFAOYSA-N 444.878 5.544 30 20 IKED COc1ccc([C@@H](Cc2ccncc2)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 552065320 QSFRAJJCFYHYDF-RUZDIDTESA-N 440.547 5.069 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc4nc(C5CC5)sc4c3)CC2)c(F)c1 554423129 KYLMOZCAVOZJGQ-UHFFFAOYSA-N 436.512 5.260 30 20 IKED C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC(OC(C)(C)C)CC1 555264437 RSLXGXSXBPCUIL-UHFFFAOYSA-N 442.604 5.103 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 557455365 VRRZGOFXGWJWNO-FQEVSTJZSA-N 440.478 5.135 30 20 IKED O=C(Nc1cccnc1C(F)(F)F)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 558202477 GRNZTDWBJQWJQZ-NSHDSACASA-N 429.267 5.127 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc4c(c3)SCC(=O)N4)cc2Cl)c1 558515887 CUYLUCKAQBQPKP-UHFFFAOYSA-N 449.919 5.087 30 20 IKED N#CC[C@H](Cc1nc(C2(c3ccc(Br)s3)CCC2)no1)c1ccccc1 569341789 RUTYTEKWJWECLG-OAHLLOKOSA-N 428.355 5.604 30 20 IKED CCO[C@@H](c1noc(C[C@H](CC#N)c2ccccc2)n1)c1ccc(F)cc1C(F)(F)F 571005506 MNLTXLTYILRNIH-MGPUTAFESA-N 433.405 5.593 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NCc3nc(-c4ccccc4F)cs3)cc2)ccn1 571097191 ZOBXKVDXGDZILO-UHFFFAOYSA-N 445.479 5.330 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1 603928313 NOINPPRIBFGSKD-HSZRJFAPSA-N 444.556 5.661 30 20 IKED CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604159593 MVTLBLFAZAEGCC-QFIPXVFZSA-N 449.913 5.122 30 20 IKED N#CCc1ccc(NC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)cc1 604170790 FJCSMEYIIXAOLX-UHFFFAOYSA-N 434.293 5.020 30 20 IKED Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)C2)cc1 604456700 FXZOHELLULURAY-QFIPXVFZSA-N 439.515 5.150 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)c(Br)c1 608110355 RVPVUEZSGXLPEB-RKDXNWHRSA-N 436.165 5.228 30 20 IKED CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 608116834 NACYYXSCLFKBPK-PHIMTYICSA-N 442.375 5.013 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](c1nc(C2CC2)no1)C(C)C 609046328 BXQDMHYAKIFBHH-OAQYLSRUSA-N 431.496 5.438 30 20 IKED CC1(C)CC(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC(C)(C)N1 609079734 HHFRUKNFWDSKII-UHFFFAOYSA-N 440.975 5.221 30 20 IKED Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609103881 GYUIJKOKRCHPTJ-UHFFFAOYSA-N 448.542 5.317 30 20 IKED CCn1ncc2c(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc(-c3ccccc3)nc21 609377171 QHGQFOKTRDIOKV-QGZVFWFLSA-N 441.560 5.622 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 609427875 ZKBONOCNEARNGJ-INIZCTEOSA-N 433.508 5.725 30 20 IKED CCCOc1ccccc1Oc1ncccc1CNc1nc(C(F)(F)F)ccc1C#N 609669779 ZALGTVKRHAZJJX-UHFFFAOYSA-N 428.414 5.560 30 20 IKED C[C@@H](c1ccccc1)N1CCC(NC(=O)c2cccc(COc3ccccc3C#N)c2)CC1 609696110 GIYLHWCXVQWZCA-NRFANRHFSA-N 439.559 5.093 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC(OCc3ccccc3)CC2)c1 609722155 HMHJBQLDSWOJEX-UHFFFAOYSA-N 446.934 5.825 30 20 IKED Cc1nc(C(C)(C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)sc1C 609927746 KWMZLAZAWKIXIJ-UHFFFAOYSA-N 434.565 5.462 30 20 IKED Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cccc(C#N)c3)c3cnn(C(C)C)c3n2)s1 610364822 VEPVCVZINOCVFW-MRXNPFEDSA-N 429.549 5.412 30 20 IKED N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)n1 611599310 VVBCTWYVJVXSRG-SFHVURJKSA-N 444.297 5.559 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cnn1-c1ccccc1F 613320400 XQRCMCRAVDNAOB-MRXNPFEDSA-N 436.899 5.587 30 20 IKED N#Cc1ccc([N+](=O)[O-])c(N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c1 613422863 HECBLNIEAIYNKU-QFIPXVFZSA-N 447.539 5.160 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(Br)cc1Br 615470378 CDGKMMYYKQNKIZ-UHFFFAOYSA-N 442.126 5.571 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nc(C(F)(F)F)nc2ccccc12 622102330 ZMWIIVDTMKYOST-ZDUSSCGKSA-N 437.512 5.406 30 20 IKED CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)o2)cc1 643166954 ATZRSOUATOBPPF-UHFFFAOYSA-N 437.455 5.769 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC([C@@H]2CCOC2)CC1 669815367 KBURSIJBZNXQJI-AUSIDOKSSA-N 432.568 5.010 30 20 IKED N#C[C@H](C(=O)c1ccccc1Oc1ccncc1)c1nc2cc(C(F)(F)F)ccc2s1 670115991 YLMDHFRDCMEOIW-MRXNPFEDSA-N 439.418 5.992 30 20 IKED O=C(Nc1ncc(Cc2cccc(F)c2)s1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674418741 OUWQHRGXDLLZJE-CHWSQXEVSA-N 441.372 5.078 30 20 IKED O=C(Nc1ncc(Cc2cccc(F)c2)s1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674418743 OUWQHRGXDLLZJE-STQMWFEESA-N 441.372 5.078 30 20 IKED N#C[C@@H](C(=O)c1sc(-c2ccccc2)nc1C(F)F)c1nc2ccccc2n1C(F)F 677791349 MKNFRAXLZVLJLC-LBPRGKRZSA-N 444.413 5.983 30 20 IKED N#C[C@@H](C(=O)c1ccc([C@H]2CCCOC2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 679537710 IWVVEBWCYRWMAL-RDJZCZTQSA-N 430.451 5.699 30 20 IKED Cc1c(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)noc1-c1ccccc1F 683969785 HYPVZRAPQALTGC-GHMZBOCLSA-N 439.331 5.384 30 20 IKED CCN(C[C@H](C)C#N)Cn1nc(-c2cccnc2)n(-c2ccc(Cl)c(Cl)c2)c1=S 726963600 JACWOJBKYWYATF-CQSZACIVSA-N 447.395 5.211 30 20 IKED N#CCOc1cccc(/C=C(\Cl)c2nc3cc(-c4ccc(F)cc4)sc3c(=O)[nH]2)c1 730151779 QXENHJUXJHIZHI-BOPFTXTBSA-N 437.883 5.430 30 20 IKED N#C[C@H](C(=O)COc1ccc(OCc2ccccc2)cc1)c1nc2cc(F)ccc2s1 730417258 LUNCAZHPYXLKMV-HXUWFJFHSA-N 432.476 5.270 30 20 IKED C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 730422604 ZNEXWLPUESIFRA-BXKDBHETSA-N 425.337 6.099 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@H]1c1cccc2ccccc12 730921215 WBAYTFNPYWTLOF-SLFFLAALSA-N 432.907 5.261 30 20 IKED C=CCn1c(S)nnc1-c1sc(NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)nc1C 731225016 MOEXQNYNCRHXFI-ROUUACIJSA-N 447.589 5.080 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 731542235 VSVUZTCNDPJQMX-KSFYIVLOSA-N 444.000 5.569 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=S)Nc2ccccc2-c2ccccc2)ccc1OC 733211189 LPYJIMZHLHDQRK-FQEVSTJZSA-N 431.561 5.530 30 20 IKED CCc1nn(C)c(Cl)c1C=NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1 734747265 UZMLZEHGVYKCBR-UHFFFAOYSA-N 444.988 5.038 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccc(SC(F)F)cc1 734979107 JUAIDINJJBCRDI-UHFFFAOYSA-N 439.413 5.708 30 20 IKED COc1cccc([C@@H](C#N)NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1OC 735044752 PHULNXGZHWSPJC-HXUWFJFHSA-N 447.878 5.016 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccc(Br)cc2)cc1 735365927 IWIFPWKTWFSGGT-JOCHJYFZSA-N 434.337 5.469 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)Cc3csc(-c4ccc(Cl)cc4Cl)n3)[nH]c12 735791469 ZDZFRVOENVCDSH-OAHLLOKOSA-N 441.343 5.721 30 20 IKED C[C@@H]1COCCN1c1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 737731861 YXDAJGDTLQRSCK-LJQANCHMSA-N 427.504 5.022 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 737841149 JRSHNTTVBFDVSQ-GOSISDBHSA-N 448.567 5.067 30 20 IKED C[C@](O)(CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1cccs1 740445242 UVYIJNKYZFXWHM-NRFANRHFSA-N 427.913 5.095 30 20 IKED CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740483630 CYPAJGLJBISYIB-UHFFFAOYSA-N 434.521 5.315 30 20 IKED COc1ccc2cc(/C=C/C(=O)c3ccc(S(=O)(=O)CC(F)(F)F)cc3)ccc2c1 741841766 HNROJMOWTHERFM-QDEBKDIKSA-N 434.435 5.081 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2C[C@@H](C)C[C@H]2c2cccc(F)c2)c1=S 742176281 SDHLADUITWAEDN-UWJYYQICSA-N 438.572 5.455 30 20 IKED COc1ccc(Cc2nnc(S)n2N=Cc2cc(Cl)ccc2OC2CCCC2)cc1 743432092 BSYQZASGHXJVBT-UHFFFAOYSA-N 442.972 5.023 30 20 IKED C(=NNc1ncnc2c1oc1ccccc12)c1cn(Cc2ccccc2)nc1-c1cccnc1 744788398 IFQQVVNVEMANIU-UHFFFAOYSA-N 445.486 5.129 30 20 IKED C=CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)c1nc(-c2ccccc2)cs1 748606193 MXOOBABYAHOWGY-UHFFFAOYSA-N 438.465 5.076 30 20 IKED N#Cc1c(F)ccc(/C=C(/Cl)c2nc(=O)c3ccc(C(F)(F)F)cc3[nH]2)c1Cl 761476820 KNILKQAEKMPIOX-LFYBBSHMSA-N 428.172 5.343 30 20 IKED CC(C)(C)OC(=O)NC[C@](C)(NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C1CC1 765910712 UBEXFJMMZWQOEX-GJZUVCINSA-N 448.567 5.157 30 20 IKED O=C(/C=C/c1ccc(Oc2cnccn2)cc1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 771097564 JWLZGEDHTXVMLQ-ISPXXFMDSA-N 434.467 5.252 30 20 IKED N#CCc1ccccc1CC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 776748817 JMMSBAYRJREOKO-UHFFFAOYSA-N 435.867 5.074 30 20 IKED C=CCC[C@H](C(=O)OCc1csc(N(C(C)=O)c2ccc(F)cc2)n1)c1ccccc1 778553399 FPJGLTWRIZHCBG-QFIPXVFZSA-N 438.524 5.760 30 20 IKED C=CC[C@@H](OC(=O)[C@@H](C)SCc1nc(O)c2c(C)c(C)sc2n1)c1ccccc1 778740205 VULJEIFHRQEPRT-NVXWUHKLSA-N 428.579 5.496 30 20 IKED COc1ccc([C@H](N[C@H](C)c2ccc(OCC#N)cc2)c2ccc(C(F)(F)F)cc2)cc1 779186579 YWMDBBMSTKXFFJ-MZNJEOGPSA-N 440.465 6.057 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4ccccc4Cl)CCOCC3)n2)cc1 779195000 SAMJKXHHUNVUOW-SFHVURJKSA-N 436.964 5.697 30 20 IKED CC(=O)N(c1nc(C=NNc2ccc(C(C)(C)C)cc2)cs1)c1ccc(F)cc1F 779825263 QUFCINMBDKYPRH-UHFFFAOYSA-N 428.508 5.849 30 20 IKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1csc(Cc2cccc(F)c2)n1 780309940 RAZLSHFQCAOBGN-INIZCTEOSA-N 448.306 5.141 30 20 IKED CC[C@@H](C#N)SC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1ccc(OC(F)F)cc1 780329968 PJMXCDYMETVJEO-LPGQDOADSA-N 443.475 5.076 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 780617331 RKCWWCUULUYCRT-JTQLQIEISA-N 448.228 5.869 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 780673623 XGPVKNMSLBOVJT-YLJYHZDGSA-N 431.496 5.177 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1O[C@H](C)C#N 780678825 XVZNVDNNUQJZCR-CQSZACIVSA-N 432.293 5.099 30 20 IKED N#C[C@H](C(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1)c1nc2ccccc2o1 781453697 WUTZJYUDYVBGDH-HXUWFJFHSA-N 445.519 5.271 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\COc3c(F)ccc(F)c3C2=O)cs1 783711405 AJQBJVPPDADJJJ-XYOKQWHBSA-N 446.862 5.418 30 20 IKED CC(C)(C)OC(=O)NCc1cc(NC(=O)c2cccc(CC#N)c2)cc(C(F)(F)F)c1 787684732 OIFVTOQNWLXUNC-UHFFFAOYSA-N 433.430 5.048 30 20 IKED CC(C)(C(=O)N[C@@H]1CCc2cc(C#N)ccc21)[C@H](O)c1ccc(OCc2ccccc2)cc1 787843103 JIOYZXGKDAOLBV-CLJLJLNGSA-N 440.543 5.001 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(O[C@@H](C)c3ccccc3)cc2)cc1Cl 788351540 MUSMMKLAWZSJCX-KKSFZXQISA-N 448.906 5.450 30 20 IKED C#CCn1ccc(CN(CC)C(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)n1 788825842 WGNCXKLDKCXETA-UHFFFAOYSA-N 428.923 5.047 30 20 IKED N#C[C@H](C(=O)[C@@H]1CC(=O)c2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 789349693 ZWKSHOHAAUJBDP-HZPDHXFCSA-N 427.312 5.663 30 20 IKED Cc1csc(Nc2cccc(NC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)c2)n1 795482680 OPRMFYNEDWZHII-UHFFFAOYSA-N 435.528 5.061 30 20 IKED C[C@@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(C(C)(F)F)cc1)c1ccc(Cl)cc1Cl 797147091 ORJVQNGOESVDBP-BZNIZROVSA-N 425.262 5.305 30 20 IKED Cc1cccc(CC2(O)CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)c1 797613484 HLMWLBXPMZAIRX-AREMUKBSSA-N 439.559 5.252 30 20 IKED CC(=O)Nc1cccc(N=c2scc(-c3c(C)noc3C)n2CC2CCC(C#N)CC2)c1 799297764 PYMPXPVUCCSZDT-UHFFFAOYSA-N 449.580 5.342 30 20 IKED Cc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)c(-c2cnn(C)c2)c1 802705971 YALDIQCKRJDPOG-SDNWHVSQSA-N 434.561 5.008 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cc(Br)ccc1O 804737497 JORCHJSTIHRWNM-UHFFFAOYSA-N 439.334 5.108 30 20 IKED N#CCSCCCOC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 805509699 ITTUMCQRSPZJHP-UHFFFAOYSA-N 441.734 5.093 30 20 IKED N#Cc1c(NC(=O)c2cc(-c3nc4ccccc4s3)nc3ccccc23)n[nH]c1C1CC1 807701816 QQPQJLNYCLCDPG-UHFFFAOYSA-N 436.500 5.236 30 20 IKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CCC2(F)CCC2)C1=O)Nc1ccccc1F 807931273 POMCNPVSYXEDRL-LJQANCHMSA-N 443.519 5.068 30 20 IKED C[C@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1 837515951 CAIGUSNXRBFJAH-XMSQKQJNSA-N 447.560 5.261 30 20 IKED CC(C)n1ncc2cc(C=NNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)nc21 873869047 FDRWRHSESYAIHY-UHFFFAOYSA-N 426.786 5.039 30 20 IKED O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1cccc([N+](=O)[O-])c1 916136576 UPYNKAGJPMAGOP-JXMROGBWSA-N 441.270 6.050 30 20 IKED N#C[C@H](C(=O)NC1CCCCC1)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 916895758 RQLNHILPJPPGOE-IBGZPJMESA-N 449.601 5.360 30 20 IKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cc(C3CC3)nc21 916915407 CTNOATAHNRIZKW-HXUWFJFHSA-N 437.503 5.004 30 20 IKED N#C[C@@H](C(=O)CSc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(F)c(Cl)c1 916937039 ALLKEDWEQFBBMZ-NSHDSACASA-N 431.703 5.226 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ncc(-c3ccc(C)cc3)o2)cc1 916955225 NOMODXPCOUCLKI-AVRDEDQJSA-N 429.520 5.444 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(OC(F)F)cc2)cs1 917562197 VKONHULJSSCHST-GHXNOFRVSA-N 428.460 5.634 30 20 IKED C=CCn1c(CCN2CCCCC2)nn(CN[C@H](c2ccc(F)cc2)C(C)(C)C)c1=S 919942562 ZNOJCHYMVRFBSJ-JOCHJYFZSA-N 445.652 5.102 30 20 IKED COCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)sc2cccc(F)c12 920141789 RBYDFAKMIGYJFF-HNNXBMFYSA-N 447.516 5.672 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)Cc4cc5cccnc5cc4F)CCC3)cc2)C1 1785808128 QWMOXPUMUDYIMQ-UHFFFAOYSA-N 443.522 5.017 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4ccccc4)cc3)CCC2)c1 1787745639 DIRRHGJMFGISBC-FQEVSTJZSA-N 437.543 5.304 30 20 IKED Cc1[nH]ccc1C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1788804848 LRIJHMIYNWLDKD-UHFFFAOYSA-N 435.644 5.122 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4ccccc34)cc2)CCC1 1788896481 AKPYJSZPEWAOAQ-LJQANCHMSA-N 443.547 5.388 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnnc4ccccc34)cc2)CCC1 1788958350 KSXSQDPVKSYQCC-NRFANRHFSA-N 440.547 5.146 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4nc(C)ccc4c3)cc2)CCC1 1789034931 ZYEIZULBCNPXPL-GOSISDBHSA-N 427.548 5.503 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(F)cccc3Cl)CCC2)cc1 1790566370 UDIAPBOBAHUMCJ-HNNXBMFYSA-N 445.922 5.028 30 20 IKED Cc1ccc2cc(C(=O)Nc3ccc(C4(NC(=O)C5(C#N)CC5)CCC4)cc3)sc2c1 1790947034 YISUSRLAHHJFRQ-UHFFFAOYSA-N 429.545 5.261 30 20 IKED C[C@]1(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)CC1(F)F 1792247249 RWGSVBZVGMFJNU-OAQYLSRUSA-N 443.881 5.005 30 20 IKED Cc1oc(C(C)(C)C)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@H](C)C#N)c1)C2 1795131365 YOJRNLJFMWEDDL-ZINXYGQCSA-N 447.579 5.078 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3nc(C(C)C)cs3)CC2)C1 1804858588 SPQNCLSSHKDXQL-UHFFFAOYSA-N 431.646 5.104 30 20 IKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4ccccc34)[nH]n2)cc1 1820547296 HTGHNGCIMDIVAP-DEOSSOPVSA-N 449.514 5.054 30 20 IKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](CCC)CC2)[nH]n1 1821988490 WEDZRMFQYNYYGN-ZHALLVOQSA-N 436.547 5.220 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc(F)cc(F)c2)CC1 1827178790 HVKPSBWYBLULKJ-QHCPKHFHSA-N 446.582 5.119 30 20 IKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccccc23)CC1 1828011004 GXRAJYZJNRYXTH-AREMUKBSSA-N 430.592 5.267 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2oc3ccccc3c2C)CC1 1828129754 ZKQVQPWMBMPWJR-FQEVSTJZSA-N 444.522 5.186 30 20 IKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1 1828457346 ANAZJJHQGPWOAL-RBVMOCNTSA-N 446.701 5.132 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccccc3)CC2)CC1 1828823843 HBZOHEIAUDHURW-RPBOFIJWSA-N 434.624 5.106 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cnc2Cl)CC1 1829195626 GDXPAVQNBRYBFW-HXUWFJFHSA-N 449.998 5.100 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)ccc2F)CC1 1830555128 QXTLDSZEAASESM-ZJSXRUAMSA-N 426.576 5.136 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 1831372705 HSCPNZXNGUDOJI-DYESRHJHSA-N 442.600 5.486 30 20 IKED CC1=CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)CC1 1832632449 QZGDUHPSNUTMNN-JJTGBXKASA-N 447.623 5.293 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(Oc2ccccc2)cc1 1847264968 VSZYVHLOJVOWBX-ZEQRLZLVSA-N 432.564 5.287 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(CC)cc2)cc1 10173968 BKWJJEMNZQIHAH-UHFFFAOYSA-O 445.608 5.475 30 20 IKED Cc1ccc(Nc2nnc(S[C@H](C)C(=O)N(CCC#N)c3ccccc3)s2)cc1C 10212284 DDIWRUYVWXHPRA-QGZVFWFLSA-N 437.594 5.326 30 20 IKED O=C(/C(=C(/S)Nc1ccc(Cl)cc1Cl)[n+]1ccccc1)c1ccc(F)c(F)c1 10836579 RBUPEBYQVQPSND-UHFFFAOYSA-O 438.306 5.610 30 20 IKED C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)c1C 21743767 DLKXLMOOXCBGCY-UHFFFAOYSA-N 432.549 5.166 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)C(C)(C)C)c1 30424350 FSWUFCNQSCAATF-QGZVFWFLSA-N 449.016 5.228 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)NC2(c3ccc(Cl)cc3)CCOCC2)c1 60351565 DVMZFOFCUBWOFQ-UHFFFAOYSA-N 446.934 5.226 30 20 IKED C=CCN(Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1)Cc1ccc(Cl)s1 98081234 BNEIVMACJOCMGZ-UHFFFAOYSA-N 446.041 5.844 30 20 IKED CCN(C(=O)c1cccc(OCc2cn3cc(C)ccc3n2)c1)[C@@H](C)c1ccc(C#N)cc1 105905404 MOHYIIWMIJJOIT-FQEVSTJZSA-N 438.531 5.317 30 20 IKED C[C@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1ccccc1Cl 255939135 LUQBTDKWNKQIML-INIZCTEOSA-N 449.963 5.433 30 20 IKED CC(C)c1ccc([C@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C(C)C)cc1 409470080 OCXTUYRSQIXCKH-RUZDIDTESA-N 446.595 5.439 30 20 IKED N#Cc1c(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)sc2c1CCCCCC2 409807208 WGLSAFCNFHFNPW-UHFFFAOYSA-N 446.454 5.600 30 20 IKED C[C@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 426703625 GZXUKBBLMMRYSN-MRXNPFEDSA-N 433.895 5.162 30 20 IKED Cc1c(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)sc2ccc(C#N)cc12 431331427 HWYXKTDQPVMLEC-UHFFFAOYSA-N 441.512 5.351 30 20 IKED COc1ccccc1Oc1ccc(CNC(=O)N[C@H](CCCC#N)c2ccccc2)cc1 431944922 ZSTIWSFHHKNUFC-HSZRJFAPSA-N 429.520 5.722 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ccc(Br)cc1C(F)(F)F)c1ccccc1 432913415 ZLKCMVVLLZVKHH-INIZCTEOSA-N 440.263 6.025 30 20 IKED C=CCN(CC(F)(F)F)C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O 436538739 JVAOIQYETIFMPJ-UHFFFAOYSA-N 447.240 5.142 30 20 IKED CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)s1 437760612 QPSZQXWDHXKCEL-GOSISDBHSA-N 448.592 5.884 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccccc1COCc1ccccc1 437777331 PLXJWVKQQQQEBQ-AHWVRZQESA-N 425.532 5.707 30 20 IKED N#CCC[C@@H](NC(=O)N1CCC(c2ccccc2Br)CC1)c1ccccc1 439136030 XBHXMURCJCXPOR-OAQYLSRUSA-N 426.358 5.383 30 20 IKED C[C@H](Sc1ccccc1)c1ccc(NCC(=O)Nc2ccccc2SCC#N)cc1 439546146 FPKDABFMIYNERY-SFHVURJKSA-N 433.602 6.206 30 20 IKED CCCc1c(NC(=O)c2occc2COc2ccccc2)cnn1-c1cccc(C#N)c1 440072540 CNKQTNQQRPFWRN-UHFFFAOYSA-N 426.476 5.121 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 441273402 XGHFBQYMCGQAHZ-OAHLLOKOSA-N 441.528 5.119 30 20 IKED C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)c1cccc(C#N)c1 442900173 LTMMGNYIPJOAON-QFBILLFUSA-N 429.549 5.330 30 20 IKED CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 443819643 XGCQRNIALFVNGB-UHFFFAOYSA-N 442.949 5.019 30 20 IKED C[C@H](C#N)CSc1ccccc1NCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 446622835 GIIPKHTYCVAADE-HYBUGGRVSA-N 441.600 5.525 30 20 IKED N#Cc1cccnc1-n1cc(NC(=O)N[C@H](c2ccccc2)c2ccc3ccccc3c2)cn1 462095654 WOWZNSUOSFTQIB-RUZDIDTESA-N 444.498 5.203 30 20 IKED Cc1nc(C2CCCC2)sc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 463168955 YICFYNCWLWDZPR-UHFFFAOYSA-N 441.607 5.377 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 463502228 QMWDLBGAXIHRCV-KBPBESRZSA-N 435.339 5.263 30 20 IKED Cn1ncc(CNc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)c1C(F)(F)F 464841049 WCJHJQMXYHBDBU-UHFFFAOYSA-N 434.315 5.396 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 464944385 XBWYDLNUJNHXCD-QUCCMNQESA-N 441.478 5.741 30 20 IKED CCN(C(=O)NCCc1cccc(C#N)c1)[C@@H]1CCSc2ccc(Br)cc21 466809455 OPPXCGWIHVDFDX-LJQANCHMSA-N 444.398 5.132 30 20 IKED CO[C@H]1CCOc2c(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cccc21 468676582 UZPLQSQUIYPLPN-QFIPXVFZSA-N 430.529 5.573 30 20 IKED C=CC[C@@H]1N(C(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)CCCC1(C)C 470309630 SOTCTXYOZHCZLN-QHCPKHFHSA-N 425.594 5.176 30 20 IKED COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 470501556 YNRWLHPFBKLIJC-LDQXTDLNSA-N 427.932 5.057 30 20 IKED N#Cc1cc(Cl)ccc1CN[C@@H](Cc1ccccn1)c1ccc(Br)cc1 475743490 ZOCDMOMLGFTNBG-NRFANRHFSA-N 426.745 5.443 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccccc1)N[C@H](c1c(F)cccc1F)C(F)(F)F 482408816 CVBFUPFRSAXQSS-UKRRQHHQSA-N 426.307 5.561 30 20 IKED Cc1ccc(-c2noc([C@H](C)NCc3cccc(OCc4ccccc4C#N)c3)n2)cc1F 483663783 SGVYELDPCRZXSM-SFHVURJKSA-N 442.494 5.486 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3cnc(-c4ccsc4)s3)s2)cc1 486732835 JEMVZRQSIBGIEZ-UHFFFAOYSA-N 441.588 5.139 30 20 IKED CCC(C)(C)OCc1cccc(NC(=O)c2occc2COc2cccc(C#N)c2)c1C 488871276 FDSOALKPARIKQQ-UHFFFAOYSA-N 432.520 5.996 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1ccccc1C 488938025 VCTXGEYXKCGCES-SFHVURJKSA-N 449.555 5.006 30 20 IKED CCN(CCC#N)C(=O)c1cc(-c2ccc(C)cc2)nc2nc(N3CCCCC3)sc12 490008866 MNKWXENHRSOKRE-UHFFFAOYSA-N 433.581 5.033 30 20 IKED Cc1nn(-c2ccc(Br)cc2)cc1C(=O)[C@@H](C#N)c1nc2ccccc2s1 490722974 OVKLVLMIFBGVPJ-OAHLLOKOSA-N 437.322 5.043 30 20 IKED N#Cc1ccc(Sc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)cc1 497647014 DVDAZMWCGNWKBY-UHFFFAOYSA-N 444.585 5.213 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 499883561 AGWGSGKEUJEPFL-KXBFYZLASA-N 447.507 5.288 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2)cc1 503540481 RLQNNSWZFRVBPN-QHCPKHFHSA-N 446.491 5.836 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@H](COc3ccccc3)C2)cc1 506953961 QSZHWKIEVNTFSA-QFIPXVFZSA-N 441.531 5.264 30 20 IKED COc1cc(CN2CCC(C)(C#N)CC2)ccc1OCc1ccc(Br)cc1 507694359 LEFFHYTWPUSQEZ-UHFFFAOYSA-N 429.358 5.162 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)cc1 508274633 NMIYIOAACPFKBQ-QFIPXVFZSA-N 431.467 5.867 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1 511322273 LOCVJUULAJGTJO-VWLOTQADSA-N 445.950 6.258 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4nc5ccccc5n4C)cc3)o2)c1 513676780 KOSQSYDMZOIGLQ-FQEVSTJZSA-N 433.471 5.089 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1 515328243 OZTHCBLYAXTUKJ-UHFFFAOYSA-N 438.940 5.324 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2cccc(Br)c2)c1)c1nc(-c2ccccc2)cs1 517385872 AXNRGBBLBHOCQV-SFHVURJKSA-N 449.333 5.248 30 20 IKED N#Cc1cccc(OCCCCC(=O)N(Cc2ccco2)C23CC4CC(CC(C4)C2)C3)c1 517656004 JATXRGLECPRRPG-UHFFFAOYSA-N 432.564 5.698 30 20 IKED CC(C)N(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(Cl)c(Cl)c1 517657533 BNGPBLWHNQPTKH-UHFFFAOYSA-N 426.303 6.108 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(-c4ccccc4Cl)[nH]n3)n2)cc1 517801148 XRHFGSGCFLPTCK-INIZCTEOSA-N 429.892 5.215 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CCc1nnc(-c2ccsc2)o1 517810292 WLTUXHRFBCJXCW-UHFFFAOYSA-N 448.935 5.489 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC1(c2ccc(Cl)cc2)CCOCC1 518169321 RCVIOGINCAZWCI-INIZCTEOSA-N 429.973 5.419 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 518256242 ROXCAGSAPVTKAK-INIZCTEOSA-N 448.514 5.454 30 20 IKED C=CCN(C(=O)Cc1nc(-c2ccc(F)cc2)cs1)c1nc(-c2ccccc2)cs1 518822538 LMHSUTUIPOSJDC-UHFFFAOYSA-N 435.549 5.834 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1N[C@@H](C(=O)N1CCCCC1)c1ccccc1 519433126 SLYIBQVEHKGCDQ-OAQYLSRUSA-N 447.526 5.877 30 20 IKED N#CCCN(C(=O)CCC(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1)c1ccccc1 520246471 MJWXIBZNRVVVHG-VWLOTQADSA-N 437.971 5.415 30 20 IKED CC(C)[C@@H](Oc1ccccc1Br)C(=O)Nc1ccccc1SC[C@@H](C)C#N 520837198 MMELNNMEURKYCR-MGPUTAFESA-N 447.398 5.743 30 20 IKED Cc1ccc(OCc2nc(CC(=O)N[C@@H](C#N)c3ccc(C(C)(C)C)cc3)cs2)cc1 520889478 IIUJGLYAWLQYSP-QFIPXVFZSA-N 433.577 5.252 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 521352069 SKIZPADYXUBTNV-HXUWFJFHSA-N 447.753 5.373 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(OCC(F)(F)F)nc3)cc2)cc1 521366947 VWXGVNISTXLURS-UHFFFAOYSA-N 442.397 5.008 30 20 IKED Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 523419752 SFAPEPGVTCYFTK-OAQYLSRUSA-N 427.548 5.735 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 524707161 AFEASPAATKNBHK-HSZRJFAPSA-N 440.934 6.050 30 20 IKED C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 525328006 SJSIFXOQTMZBQM-UHFFFAOYSA-N 435.499 5.310 30 20 IKED N#Cc1ccc(NC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1C(F)(F)F 525742149 BWAFMXNYEHKZCF-AWEZNQCLSA-N 430.455 5.598 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(Sc4ccccc4)cc3C)CC2)o1 527528739 RQEBPDFLRWRPQW-UHFFFAOYSA-N 432.549 5.169 30 20 IKED COc1cc(CN[C@H](c2ccccc2)c2ccccn2)ccc1OCc1cccc(C#N)c1 533334100 JFPTWKKWCRLBKO-MUUNZHRXSA-N 435.527 5.420 30 20 IKED COc1cccc(COc2cccc(NCC(=O)Nc3ccccc3SCC#N)c2C)c1 533692262 WBMRUXWQWCVMPC-UHFFFAOYSA-N 447.560 5.249 30 20 IKED COCCc1nc2cc(NC(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)ccc2o1 534159298 FBQZMJKDYNEPNJ-UHFFFAOYSA-N 447.878 5.586 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)c1nc2ccccc2n1C(F)F 540079911 GYCGEAGBUCQICT-LBPRGKRZSA-N 446.244 5.414 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC=C(c4ccccc4F)C3)c2)cc1 541087340 ZLQKQRYKCSCHMW-UHFFFAOYSA-N 427.479 5.402 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCn4c(cnc4C4CCCCC4)C3)s2)cc1 541396623 LGVZNPPIVQRXFS-FQEVSTJZSA-N 445.592 5.051 30 20 IKED Cc1ccc(NC(=O)CSCC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 543858419 QAPSRAXRMNBWKD-IBGZPJMESA-N 443.572 5.083 30 20 IKED CCOc1cc(Cc2noc([C@H](C)Oc3ccccc3C#N)n2)ccc1OCC(F)(F)F 546360801 ACHXXFSFVUNEJC-AWEZNQCLSA-N 447.413 5.012 30 20 IKED N#Cc1ccc(N2CC[C@@H](c3nc(-c4ccccc4OCc4ccccc4)no3)C2)c(F)c1 553519979 RAGOKGSCPDIZTD-HXUWFJFHSA-N 440.478 5.320 30 20 IKED C=CCc1cc(CNC(=O)Nc2cc(-c3cncc(F)c3)ccc2C)cc(OC)c1OC 565961283 APJLYDJPJFRPIS-UHFFFAOYSA-N 435.499 5.264 30 20 IKED C[C@H](NC(=O)N1CCC[C@H](OCC(F)(F)F)C1)c1ccc(-c2cccc(C#N)c2)cc1 567075961 JEPXVIFUYDRMOF-KKSFZXQISA-N 431.458 5.039 30 20 IKED C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1c1nc2ccccc2s1 567968466 JRZKKINZBGRSHG-LPHOPBHVSA-N 449.555 5.694 30 20 IKED CN(C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)C1CCC(F)(F)CC1 579162042 DOZGKVWBWSFABL-UHFFFAOYSA-N 449.338 5.219 30 20 IKED C=CCn1c(CSc2ccccc2OC)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 579777360 HQZQIUAYZBLGGR-OAHLLOKOSA-N 442.535 5.167 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1 582259268 GLOFAPZCHJZOBD-UHFFFAOYSA-N 445.995 5.113 30 20 IKED N#Cc1ccccc1NC(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 591584704 IXYYAHCAVNKKKE-UHFFFAOYSA-N 439.422 5.139 30 20 IKED Cn1ncc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)c1C(F)(F)F 603457602 GWGSUBPGCBUGLB-UHFFFAOYSA-N 448.298 5.036 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F 608896899 FECHWLUCXDMBHU-OAHLLOKOSA-N 441.409 5.479 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H](C)c1ccc(C(F)(F)F)cc1 609385247 IXBJLPDPUDIPEZ-JKSUJKDBSA-N 435.515 5.589 30 20 IKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccc([N+](=O)[O-])cc1 609387022 GBZGATWHYFBJAL-GFCCVEGCSA-N 438.431 5.058 30 20 IKED Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 609438628 MSVSFHSBDBMASF-MSOLQXFVSA-N 443.016 5.691 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)cc2)cc1 609497862 QBFITEUAPXYZDN-UHFFFAOYSA-N 439.515 5.036 30 20 IKED COc1ccc(Br)c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 609502871 KVZWCEZDPLYSED-UHFFFAOYSA-N 437.293 5.568 30 20 IKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 609660836 CIXVBPPBBIUFEP-XNMGPUDCSA-N 440.543 5.377 30 20 IKED COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)N(CC#N)C2CCCC2)cc1 609976914 IGCMELKNICMROU-CZIZESTLSA-N 437.543 5.639 30 20 IKED CN1CCC(N(C(=O)c2ccc(Sc3ccccc3C#N)cc2)c2ccccc2)CC1 610501449 BPZOTVHUNOGJPR-UHFFFAOYSA-N 427.573 5.450 30 20 IKED COc1ccc(C(NCc2cc(C#N)ccc2Br)c2ccc(OC)cc2)cc1 617187450 QWGYSJIKAAUAQC-UHFFFAOYSA-N 437.337 5.217 30 20 IKED C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618453914 VNRMONWQOUNOAP-GARJFASQSA-N 436.318 5.095 30 20 IKED N#Cc1ccc(CNC(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)cc1Cl 619790358 ZODJFRPPMSDWHL-UHFFFAOYSA-N 443.763 5.064 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cnc(-c2ccccc2F)s1 619991495 XABSVJHUNSNHCD-UWVGGRQHSA-N 440.384 5.589 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 670062784 BAAHIUOYOATVDI-BRPSZJMVSA-N 438.290 5.458 30 20 IKED Cc1noc(C(F)F)c1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 673812378 WPANJGOOLWPHOA-SNVBAGLBSA-N 428.247 5.841 30 20 IKED CC(=NNc1nc2ccccc2c(=O)n1CCCOC(C)C)c1oc2ccccc2c1C 725842807 KVEXURWLKIBNAF-UHFFFAOYSA-N 432.524 5.102 30 20 IKED N#CCOc1ccc(CNC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)cc1 727845017 ZUWGERKTFLIZOV-QFIPXVFZSA-N 440.330 5.485 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)c1 728181936 LEFILVSOVHKGDT-UHFFFAOYSA-N 442.588 5.102 30 20 IKED CS(=O)(=O)c1ccc(/C=C2/CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)cc1 728438990 SRIOQDIATJTOPG-QINSGFPZSA-N 429.950 5.080 30 20 IKED N#C[C@H](C(=O)CCCOc1ccccc1Br)c1nc2cc(F)ccc2s1 730420409 DLAOLFGEFUSPHM-CYBMUJFWSA-N 433.302 5.233 30 20 IKED Cc1sc2ncn(N=Cc3ccc(OC(F)F)c(Cl)c3)c(=O)c2c1-c1ccccc1 731485954 JZIMKPLKRJKEJN-UHFFFAOYSA-N 445.878 5.570 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=S)Nc2c(Cl)ccc(C)c2Cl)ccc1OC 733209778 YDJAELNHEMMXQY-AWEZNQCLSA-N 438.380 5.478 30 20 IKED O=[N+]([O-])c1cc(Cl)cc(C=Nc2cccc(C[S@](=O)Cc3ccccc3)c2)c1O 734752993 NFTVYVDDHLMKTH-GDLZYMKVSA-N 428.897 5.153 30 20 IKED COc1ccc(CSCc2cc(Cl)ccc2OCC#N)c(Br)c1OC 735318970 TUHKKCITBQCEMQ-UHFFFAOYSA-N 442.762 5.455 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](Cc2ccccc2)c2sccc2C)c1 736659688 UWRGNUPMWFMDGU-GGAORHGYSA-N 433.577 5.521 30 20 IKED Cc1cc(C#N)ccc1S(=O)(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1 741136973 NIBFAOJDNFRMGI-UHFFFAOYSA-N 430.363 5.159 30 20 IKED CC(C)(C)c1ncc(/C=C/C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)s1 744026387 XMGSAQXNGDCSBW-XVJNWHFHSA-N 435.521 5.116 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)/C=C/c1cnc(C(C)(C)C)s1 745676893 JTXBZYNNBKUNSZ-FEAKQIBJSA-N 443.594 5.030 30 20 IKED CCCCc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1 746011325 STKJTJHOAOPEOP-QBFSEMIESA-N 440.515 6.345 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl 746481058 JBVWHTZZMOBUBA-UHFFFAOYSA-N 435.198 5.128 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCCc1ccc(Br)s1 747104108 HLXBTIJEYXQSLF-OAHLLOKOSA-N 429.339 5.215 30 20 IKED N#C[C@@H](C(=O)CCCc1ccc(Br)s1)c1nc(-c2ccncc2)cs1 747113814 LQQQPMYVVNHLCB-AWEZNQCLSA-N 432.368 5.228 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCC2CCN(CC(F)(F)F)CC2)cc1 748943208 UGNKASJEHUEDMG-JOCHJYFZSA-N 444.501 5.128 30 20 IKED CCOC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)cc1C#N 752800573 XNMDKORCGKMABT-GOSISDBHSA-N 442.519 5.157 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C(/C)c1ccccc1OC(F)F 753394806 MTDZSCVEVNLKNV-RXHHAWBHSA-N 426.463 5.164 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(C2CC=CC2)C1=O)Nc1ccccc1F 759692224 ZLYUCNWSFDVIDC-IBGZPJMESA-N 443.931 5.158 30 20 IKED COc1ccc2c(-c3ccccc3)c(C(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)oc2c1 762296151 PFQZNEDUUTUMDE-DEOSSOPVSA-N 438.483 5.194 30 20 IKED N#Cc1ccc(-c2nnc(CNc3cc(Cl)c(OCC(F)(F)F)c(Cl)c3)o2)cc1 762474474 SFLQDPIPNLPPRV-UHFFFAOYSA-N 443.212 5.468 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cc(Cl)c(N)c(Cl)c3)c2)cc1 763913441 ADEFWWTXRTUBOM-UHFFFAOYSA-N 426.303 5.473 30 20 IKED C=CCn1c(-c2ccccc2C)nn(CN2CCC(C(=O)c3ccc(C)cc3)CC2)c1=S 764908905 FSAFCSAWWUMZOJ-UHFFFAOYSA-N 446.620 5.436 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(OCc3ccc(F)cc3)CC2)cc1 768867812 IJUPDXGVWPARBJ-SANMLTNESA-N 443.522 5.694 30 20 IKED C[C@H](OC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl 769543322 JMJCGVJDZVAARX-AWEZNQCLSA-N 444.318 5.436 30 20 IKED CCCCCCCCOCc1cccc(NC(=O)N2CCSC3(CCOCC3)C2)c1 771125907 BBWIATBQVPRLDQ-UHFFFAOYSA-N 434.646 5.694 30 20 IKED Fc1ccc(C=NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)c(C(F)(F)F)c1 771883817 IXSYUMSCMUSCDT-UHFFFAOYSA-N 429.299 5.161 30 20 IKED COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC2(C#N)CC2)cc1OC 775840252 FEBZZEKPTFJGBB-QGOAFFKASA-N 440.499 5.199 30 20 IKED Cc1cccc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1OC(F)F 777878259 HIYNCDJKYOMXCN-UHFFFAOYSA-N 425.460 5.225 30 20 IKED C=CC[C@H](C(=O)O[C@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)c1ccccc1 778429857 YUWRQOZYSIBOKM-UTKZUKDTSA-N 448.544 5.231 30 20 IKED CSCc1nc2ccccc2n1CC(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 780312964 NQWMIFXDYIVYBU-KRWDZBQOSA-N 432.574 5.208 30 20 IKED Fc1cc(Cl)ccc1C=Nn1c(S)nnc1COc1c(Cl)cccc1Cl 783515217 YJAXWWYNYQGVMU-UHFFFAOYSA-N 431.707 5.127 30 20 IKED C[C@@H](OC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1cccc(C#N)c1 784198710 JJPVJQLQYNZZDN-MRXNPFEDSA-N 436.537 5.311 30 20 IKED CC[C@@H](C#N)Oc1cc(CNCc2cc(Br)c(Cl)s2)ccc1OC 790961566 ILHRQKODVMMGLP-LBPRGKRZSA-N 429.767 5.143 30 20 IKED C[C@H](O)[C@@](C)(CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)Cc1ccccc1 792230091 UWPGUYSSRZGJFU-FBQMUFCQSA-N 427.548 5.093 30 20 IKED CCOC(=O)Nc1ccc(Br)cc1NC(=O)C[C@H](CC#N)c1ccccc1 793746425 FTHUFFSTSNJIEH-HNNXBMFYSA-N 430.302 5.044 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)OCc2cncn2CC(F)(F)F)cc1Cl 797120733 GKERLHXWHBQBEM-UHFFFAOYSA-N 435.789 5.120 30 20 IKED O=C(C[C@@H]1CCC(F)(F)C1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 797990739 KIIHFDZHVLTNRI-XHDPSFHLSA-N 445.350 5.450 30 20 IKED C[C@H](Cc1cncc2ccccc12)C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 805856028 QNTLYQCOWIUXLY-ZUOKHONESA-N 426.303 5.068 30 20 IKED C#C[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1)c1ccc(Cl)cc1F 806233843 ZHPSILXELGWRMQ-GOSISDBHSA-N 425.847 5.129 30 20 IKED O=C(/C=C/c1cc(C(F)(F)F)ccc1Br)c1cccc(N2CCOC2=O)c1 811689649 IMZGNVRVUONLLE-QPJJXVBHSA-N 440.215 5.321 30 20 IKED C=CCNC(=S)/C(=C(/O)c1cc2ccccc2o1)[n+]1cc(O)cc(-c2ccccc2)c1 811722889 SYVXAELGLVYUEM-UHFFFAOYSA-O 429.521 5.080 30 20 IKED COc1ccc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc2c1 815907011 PJYWFQHWTYHDFL-IBGZPJMESA-N 426.444 5.124 30 20 IKED CC1CCN(c2ccc(NC(=O)CCC(=O)N[C@H](CCCC#N)c3ccccc3)cc2)CC1 817320192 ZYILWRWZXRZZRJ-RUZDIDTESA-N 446.595 5.193 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1 915087744 XIAZWPAKAYIMKK-JOCHJYFZSA-N 441.918 6.222 30 20 IKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C(F)(F)F)c3)N(C3CC3)C2=O)cc1 916217064 DDSUOQLSTKOAAY-GOSISDBHSA-N 447.482 5.137 30 20 IKED CC(C)(C)c1ccccc1OCC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916885780 BLVFAEATQMXWOL-MRXNPFEDSA-N 432.492 5.025 30 20 IKED N#C[C@@H](C(=O)CCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(SC(F)F)cc1 916887975 RCXLAOWWLUAKFJ-HNNXBMFYSA-N 443.302 5.588 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3cccc(F)c3)n2)cc1 916913070 DCCKNHHTWCKTAO-NRFANRHFSA-N 435.524 5.182 30 20 IKED N#C[C@@H](C(=O)c1ccc(Cn2cccn2)o1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996371 LPSQDXHYFKPDSW-HNNXBMFYSA-N 443.315 5.445 30 20 IKED Cc1cc2occ(CC(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2cc1C 917044697 UVEBTBASCXZCFR-INIZCTEOSA-N 428.435 6.097 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC[S@@](=O)c2cc(Cl)ccc2Cl)n1 917187561 JHNXNGDRLICFIW-AREMUKBSSA-N 439.311 5.487 30 20 IKED CSc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1 917559493 JVJWLZPIRBKERR-GHXNOFRVSA-N 428.966 6.099 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\C(=O)c3c(O)ccc(F)c3[C@@H]2C)cs1 917560270 UNDXWNHWTOIFES-WIWNTQSISA-N 442.899 5.709 30 20 IKED C=CCNC(=S)/C(=C(/O)c1ccc2c(c1)Cc1ccccc1-2)[n+]1ccc2c(c1)CCCC2 917607086 KHGFEHJIKRDQSZ-UHFFFAOYSA-O 439.604 5.411 30 20 IKED C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 917876537 KFHASHVOCGXXAD-UHFFFAOYSA-N 429.863 5.069 30 20 IKED CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 918301137 DFINAVSDVKHFKE-HXUWFJFHSA-N 437.952 5.044 30 20 IKED N#C[C@@H](C(=O)CCCOc1cccc(Br)c1)c1nc(-c2ccncc2)cs1 920265271 LBCXPSKOOZZASO-KRWDZBQOSA-N 442.338 5.003 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NN[C@H](C)c2ccccc2)cs1 920381897 BHHKOKGBZPAVKS-CQSZACIVSA-N 432.471 5.531 30 20 IKED N#C[C@H](C(=O)CCc1ccc(OC(F)F)cc1)c1nc(-c2c(F)cccc2F)cs1 920806404 KRRKBWXTPATGIQ-CQSZACIVSA-N 434.414 5.499 30 20 IKED Cc1cnc(O)c(CNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c1 1215498208 XDBVBRVTZWTXRL-UHFFFAOYSA-N 442.397 5.100 30 20 IKED Cc1cccc(-c2ncccc2C(=O)NC2(c3ccc(NC(=O)[C@H](C)S)cc3)CCC2)c1 1791574954 TZCLLYHPHNIMLT-SFHVURJKSA-N 445.588 5.123 30 20 IKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1 1812808575 YWAMUFIJOZVEGI-BGWNEDDSSA-N 427.633 5.296 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823211916 CUJBTCUGATVSIQ-PGRDOPGGSA-N 447.583 5.335 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 1831858786 LMJNPODHRHHBRP-LJQANCHMSA-N 431.001 5.364 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2occc2n1-c1ccccc1 1847264794 URQUEGLBTPIRTJ-SFTDATJTSA-N 445.563 5.031 30 20 IKED C[C@@H](OC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)Nc1c(F)cccc1F 15806209 UGXWWEZJWHBTBZ-CQSZACIVSA-N 438.455 5.172 30 20 IKED Cc1onc(-c2ccccc2)c1-c1nnc(CSc2nc3c(c(C)c2C#N)CCC3)o1 22122919 PGAWEAIXVSZTNW-UHFFFAOYSA-N 429.505 5.056 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 58794827 GFOJXUGDZFWJKT-JOCHJYFZSA-N 427.573 5.104 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)CSCc2ccc(C#N)cc2)c(C(F)(F)F)c1 109733713 XZYKJTHLRQQWBZ-CQSZACIVSA-N 438.540 6.340 30 20 IKED Cn1ccnc1[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cccc(F)c1 195634558 KUMNDFAJXBPXGC-HSZRJFAPSA-N 441.466 5.134 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1cccc(Cl)c1 216421356 PXLFPZGVVVPSBB-OAHLLOKOSA-N 440.956 5.106 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C 303290319 KUSTWZFBQIBQID-UHFFFAOYSA-N 428.580 5.100 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccnn2Cc2cccc3ccccc23)cc1 429741619 HYDLOPYLNISBEM-UHFFFAOYSA-N 440.507 5.036 30 20 IKED N#Cc1ccc(NC(=O)CCCCCC(=O)Nc2ccc(C#N)cc2Cl)c(Cl)c1 430349955 GAUOAAQSEMHAGU-UHFFFAOYSA-N 429.307 5.264 30 20 IKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1sc2ccc(C#N)cc2c1C 431440622 KIKDMZMZHYCMKL-UHFFFAOYSA-N 425.513 5.894 30 20 IKED N#CCCC[C@H](NC(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1)c1ccccc1 432826368 YOKNUAPOWNZKTO-DEOSSOPVSA-N 438.531 5.446 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccccc1)Cc1cc[nH]n1 437838674 JQRCAIGJIGCVMH-UHFFFAOYSA-N 437.503 5.616 30 20 IKED Cc1occc1C(=O)Nc1cc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1F 437849170 DGYNOUWOORATFF-NZQKXSOJSA-N 446.482 5.283 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H](C)Oc2ccccc2F)cc1 438188889 RWQFGZRMAIRSBN-MRXNPFEDSA-N 435.455 5.087 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccnc(Oc2ccccc2Cl)c1 438388837 RDHSVLXWCLQXEO-UHFFFAOYSA-N 436.899 5.079 30 20 IKED Cn1nccc1[C@@H]1CCCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 439359808 ZNUTYIQPNLCGFX-OFNKIYASSA-N 433.943 5.488 30 20 IKED CC(C)n1cnnc1-c1ccccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 439651298 GGOMAUMAVSSNIZ-UHFFFAOYSA-N 437.503 5.229 30 20 IKED CCCc1c(NC(=O)Nc2cnn([C@H](C)CC)c2C2CC2)cnn1-c1cccc(C#N)c1 439683808 IXBCLKCOKMIVEH-MRXNPFEDSA-N 431.544 5.385 30 20 IKED CCn1ncc(NC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1C(F)(F)F 439887705 LGDBMUDFVQJZHE-LLVKDONJSA-N 448.289 5.366 30 20 IKED CCCc1c(NC(=O)c2cnc3ccccc3c2C(F)(F)F)cnn1-c1cccc(C#N)c1 440071909 OSNAGNWWIXDTGY-UHFFFAOYSA-N 449.436 5.516 30 20 IKED CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 441237010 VOWKFYVSKVCNFT-TZIWHRDSSA-N 437.609 5.055 30 20 IKED C=CCCC[C@@H](C)NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2Br)no1 443177950 ZQHUVGFOXXSDHN-PBHICJAKSA-N 433.350 5.090 30 20 IKED C=CCn1c(SCc2cc(C)nc(-c3ccc(Cl)cc3)n2)nnc1-c1ccncc1 443516922 OFGUHIJZVUTVPW-UHFFFAOYSA-N 434.956 5.237 30 20 IKED C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H]1c1ccc(COC)o1 460544925 MWPWAWLEYZVLBR-QFIPXVFZSA-N 431.540 5.094 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3ccccc3C)no2)nnc1-c1ccccc1OC 466616421 MPVCQBFZZMOCJY-MRXNPFEDSA-N 433.537 5.351 30 20 IKED N#C[C@H]1N(C(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)CCC[C@@]12CCCCO2 468658606 ILUWUGVZPHAVAE-KNQAVFIVSA-N 432.492 5.084 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3cccc(OCc4cccs4)c3)ccc21 469951685 ZBSMQFPUBZBPSX-UHFFFAOYSA-N 445.544 5.162 30 20 IKED Cc1nc(CNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)oc1-c1ccc(Cl)cc1 473675493 LKDXANNKKSLQQW-SFTDATJTSA-N 434.927 5.285 30 20 IKED C=C(C)[C@@H](NC(=O)N(C)Cc1cc(OC)c(OC)cc1SC)c1ccc(F)c(F)c1 477732153 RBPZANBUSOUHFZ-OAQYLSRUSA-N 436.524 5.163 30 20 IKED CCc1ccc([C@H]2COCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)o1 480599426 BJWYXFZXMKLZBK-JOCHJYFZSA-N 449.482 5.037 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)cc1 480833366 YBHONARPBROAAW-JOCHJYFZSA-N 444.535 5.401 30 20 IKED Cc1cnc(CNC(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1 481449472 WRYVHWFDPZFHCO-LBPRGKRZSA-N 449.273 5.123 30 20 IKED CN(Cc1ccco1)C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482336899 UDLIJXHJQYYCSO-ZDUSSCGKSA-N 448.285 5.762 30 20 IKED COc1cccc(CO[C@H](C)C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1 483368666 BZKPWPODAWANQS-LJQANCHMSA-N 432.495 5.153 30 20 IKED N#Cc1ccc(SCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 484331245 GHRLKYCPYKGJEG-UHFFFAOYSA-N 433.920 5.393 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 484765190 FQRFTNZQRHYBPX-LLVKDONJSA-N 428.772 6.092 30 20 IKED C=CCN(Cc1ccccc1)C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 485417157 VOXZFURLAYSYLU-UHFFFAOYSA-N 426.582 5.154 30 20 IKED N#CCCN(C(=O)c1cccc(OCc2cccc(Cl)c2)c1)c1ccc2c(c1)OCCO2 486199026 OAPJUAYYKLQBOI-UHFFFAOYSA-N 448.906 5.251 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1cccc(OC)c1 488891200 DZFGSKGMTVNSBF-QGZVFWFLSA-N 447.564 5.660 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N3CCC[C@@H]3c3cccs3)o2)cc1 489799115 CECZUQNVGUXOQL-CRAIPNDOSA-N 441.578 5.207 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1cn(-c2ccccc2)nc1C(C)C 499708987 IBICXLFHDPHIEU-UHFFFAOYSA-N 434.588 5.061 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c(C)c1 499767888 IRDMHHOPBLLMRE-KRWDZBQOSA-N 430.595 5.215 30 20 IKED CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)c1 499997526 FTBMUUHRUJWUED-SFHVURJKSA-N 443.572 5.624 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C 503137830 OKPKHBZVQPWRCO-JLCFBVMHSA-N 447.988 5.211 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N(Cc3ccccc3)Cc3ccccc3)CC2)c(F)c1 505121471 VVRLVBGXGSENQF-UHFFFAOYSA-N 427.523 5.143 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3cn(Cc4ccccc4)c4ccccc34)CC2)cc1 505130659 OGQSAMKOFCZZOD-UHFFFAOYSA-N 435.527 5.245 30 20 IKED Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 505345108 RFBIEKUIJMACRV-QGZVFWFLSA-N 447.347 5.280 30 20 IKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1 511097079 UVWHZFYRGTXVEB-MRXNPFEDSA-N 441.622 5.286 30 20 IKED CCN(C(=O)Cc1c(F)cccc1C#N)[C@@H]1CCSc2ccc(Br)cc21 511155336 GJTRQWXAONNAQI-GOSISDBHSA-N 433.346 5.088 30 20 IKED CC(C)Oc1ccc([C@H](C)NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 511502456 FETVYTDORFCJEZ-SFHVURJKSA-N 442.519 5.480 30 20 IKED CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 511628561 NPRXIKHBTJHPEG-UHFFFAOYSA-N 442.500 5.683 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3CCCCC[C@@H]3c3ccc(Cl)cc3)CC2)c(F)c1 512718766 SJZBZCWAFQJUDN-HSZRJFAPSA-N 439.962 5.711 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1cccc(Cl)c1 514586739 JDJXEHCSLBUCME-UHFFFAOYSA-N 434.348 5.325 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2cncc(Cl)c2Br)c1 515910327 KXTKLNVFJIRPFL-UHFFFAOYSA-N 442.700 5.200 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)O[C@H](C)C2 517491999 HGUXZHHLHGDBAH-SKTNGFFKSA-N 445.346 5.200 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 518060920 LAAJMKFPIRXNNN-QGZVFWFLSA-N 447.878 6.243 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 518811003 FMSQGGHIUDABBY-UHFFFAOYSA-N 447.926 5.303 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2cccs2)nc2ccccc12)c1nc2ccccc2n1C(F)F 519251898 STMAURKKQWIFEO-INIZCTEOSA-N 444.466 6.198 30 20 IKED COC(C)(C)c1nc(C)c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)s1 519676505 ZXPBKWIXZZUFPK-NSHDSACASA-N 433.505 5.225 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccccc1S[C@H](C)CC#N 521327048 OEKSWTIAKCEFGM-CQSZACIVSA-N 425.554 5.828 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H](C)NC(=O)CC1CCCCC1 522018688 ZBUWPCSOXGETBY-IBGZPJMESA-N 435.543 5.014 30 20 IKED Cc1oc(-c2ccco2)nc1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 522189005 OSNNVXBLVONGPT-LJQANCHMSA-N 431.879 5.733 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1ccc(Br)cc1 524388986 IJCFQPSQNDEFJI-UHFFFAOYSA-N 435.321 5.389 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F 525048203 ZPTNLCDQPJHRKM-HIFRSBDPSA-N 426.410 5.732 30 20 IKED C[C@H](C#N)CN(C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C1CC1 533600746 BJTORDPSSNEETB-YAJBTMAUSA-N 446.532 5.286 30 20 IKED N#C[C@H](C(=O)c1cnc([C@H]2CCCO2)s1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 534105937 PQNLSBQGKJXTHP-FLTFVPSHSA-N 439.606 5.409 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@H](OCC(F)(F)F)C2)cc1Cl 535625250 BGYVBZLGBUTGMY-INIZCTEOSA-N 438.833 5.187 30 20 IKED C=CCN(C(=O)[C@H]1CCCc2nn(C)cc21)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 539505419 ZUFZSLZZVCOPBS-AWEZNQCLSA-N 447.391 5.490 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c(C)cc(Br)cc2Cl)cc1 539754720 GPRRJKPPLIQHSI-UHFFFAOYSA-N 447.760 5.477 30 20 IKED FC(F)n1ccnc1CN[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 541194790 JARMGOYXTXOKSX-LLVKDONJSA-N 441.244 5.709 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)c1cnn(CCC(F)(F)F)c1 542191616 XFVYJLXQILLBQV-UHFFFAOYSA-N 447.351 5.464 30 20 IKED Cc1cccc([C@H]2CCN(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)C2)c1 542347999 LRKVOHBCJXYLRJ-IBGZPJMESA-N 435.578 5.032 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542931348 OOTZUZJCWRJJHM-OAHLLOKOSA-N 440.469 5.021 30 20 IKED Cc1cc(NC(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)nn1C 543043143 XNRUQMRTKZLEIV-GFCCVEGCSA-N 448.289 5.191 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 553082077 PJOAYTRBGHKEQI-CLJLJLNGSA-N 431.532 5.059 30 20 IKED CC[C@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H](c1ccc(C)cc1)n1cncn1 555666965 DMVGBTQDVSBALC-LEDOBFOHSA-N 448.596 5.028 30 20 IKED CC(C)(CCC#N)CNC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 558321072 ZFSKLCDJMXUVQR-UHFFFAOYSA-N 447.461 5.801 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCc4[nH]c5ccc(F)cc5c4C3)cc2)cc1 561140012 LWZYFSOCJVAZQC-UHFFFAOYSA-N 426.451 5.561 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)CC2)c(C)c1 568616743 NNSBRRSPYMPDFI-UHFFFAOYSA-N 445.441 5.201 30 20 IKED CCN(CC)CCN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 569055816 NGODJQQDIOKNPK-UHFFFAOYSA-N 443.551 5.121 30 20 IKED C=CCn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 570887688 IUPCXPPKURNKAT-REWPJTCUSA-N 449.574 5.297 30 20 IKED COc1ccccc1-c1ccc([C@H](C)NC(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1 573186821 UYDXBSJQQOMVEF-FQEVSTJZSA-N 440.547 5.085 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(-c2ccc3c(c2)[C@@H](SC)C(=O)N3)no1 577898836 RDVKTRQXRLLERJ-QGZVFWFLSA-N 447.438 5.343 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1noc(-c2cccs2)n1 579627037 KSNMVOXFEZHLTI-UHFFFAOYSA-N 431.477 5.092 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(OCCC(C)C)CC1 579863230 HDNLKUQBJYRFOT-ZEQRLZLVSA-N 438.616 5.131 30 20 IKED Cc1ccc(SCc2cccc(C(=O)N3CCC(C#N)(c4ccccn4)CC3)c2)c(C)c1 583705140 HIHIDZLGWYXUSA-UHFFFAOYSA-N 441.600 5.688 30 20 IKED COc1cc(CNCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1C#N 589325027 PWFBTKQVIJFEMY-UHFFFAOYSA-N 440.330 5.416 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1 603640049 RMTWNXYKTJTBKU-NRFANRHFSA-N 437.499 5.298 30 20 IKED Cc1ccccc1N(C(=O)CSCc1ccc(C#N)cc1)c1nc2ccccc2s1 603727811 PUVLYNGMHZHIRU-UHFFFAOYSA-N 429.570 6.075 30 20 IKED Cc1sc(NC(=O)CC[C@@H](C)CC(=O)Nc2sc(C)c(C)c2C#N)c(C#N)c1C 603729005 ZURUDOGUBPCXHX-LLVKDONJSA-N 428.583 5.170 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3cccc(OCCCC#N)c3)c3c(C)noc3n2)c(C)s1 603972070 MAETZNLMQCPHAN-UHFFFAOYSA-N 446.532 5.811 30 20 IKED N#CCc1ccc(NC(=O)CNc2ccccc2Oc2ncc(Cl)cc2Cl)cc1 604009939 GSGPNJHLUCSHIO-UHFFFAOYSA-N 427.291 5.297 30 20 IKED Cc1cc(-c2noc([C@H](C)Nc3cccc(OCc4cccc(C#N)c4)c3)n2)ccc1F 604044273 IUZOJWRRYWLALI-KRWDZBQOSA-N 428.467 5.808 30 20 IKED CCCOc1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc2ccccc12 604134520 JPUPNQSWPBGSPK-HXUWFJFHSA-N 443.528 5.646 30 20 IKED Cc1ccc(-c2ncc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)s2)c(C)c1 604508976 XSHAQKXLMWXWJJ-UHFFFAOYSA-N 426.501 5.738 30 20 IKED O=C(Nc1ccc(OC2CCCC2)c(F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 608331404 RGYHQKKIFDBSIY-TXEJJXNPSA-N 442.375 5.742 30 20 IKED CCc1c(C)sc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c1C#N 609032659 YIRDXUFIPHHYSD-KRWDZBQOSA-N 436.364 5.041 30 20 IKED CCN(Cc1ccc(CN(C)C)cc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609208935 QXJHNOLFKAVTKE-UHFFFAOYSA-N 428.536 5.466 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 609213175 IPHDSNDGNQSZNM-QFIPXVFZSA-N 448.567 5.820 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3nnc(Cc4ccc(F)cc4)s3)c2)cc1 609304024 BWIFORJZXLXANC-UHFFFAOYSA-N 430.464 5.184 30 20 IKED COc1cc(CNCc2cn(CCC#N)nc2-c2ccccc2)ccc1OC1CCCC1 609598492 PGJIXTNFYYZODG-UHFFFAOYSA-N 430.552 5.084 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)c2cc3ccccc3n2CC#N)c1C 609795401 SRIKKEBXZWLYGT-UHFFFAOYSA-N 438.318 5.527 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C 609826971 QYZDTGUUAGHVDI-QPPBQGQZSA-N 435.568 5.409 30 20 IKED C[C@@]1(C#N)CCCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)C1 612295773 UBNHJEPELDVZMW-NRFANRHFSA-N 430.430 5.115 30 20 IKED C=CCN(C(=O)c1cc([N+](=O)[O-])cn1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 612602999 WJNGSIDFQWNTGY-UHFFFAOYSA-N 437.308 5.196 30 20 IKED N#C[C@H](C(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1nc2cc(Cl)ccc2s1 613407189 KZBCRAPYXMIHSH-GOSISDBHSA-N 437.952 5.959 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 618734117 APLRZDHMRJUQCC-LJQANCHMSA-N 427.451 5.047 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 618811190 UXGBRLONPYKPHY-FPOVZHCZSA-N 432.524 5.185 30 20 IKED O=C(c1cnc(-c2ccccc2F)s1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 619994045 OFWWEQZAVOLKGM-UWVGGRQHSA-N 426.357 5.152 30 20 IKED Cc1cc(C(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)c(C)n1CC(F)(F)F 679356134 YNBQTWZIHDSHCR-AWEZNQCLSA-N 444.322 5.302 30 20 IKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(C2CC2)C1=O 726421384 QEOHOSBYKVOSCG-NSEJETEYSA-N 448.013 5.262 30 20 IKED O=C(/C=C\c1nccn1CC(F)(F)F)c1ccc(-c2ccc(Br)cc2)s1 728700240 MGJCFRFSOIIQDL-YVMONPNESA-N 441.272 5.833 30 20 IKED CC(C)Sc1ccccc1C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 731059764 MFFBKDWEOWUKKL-INIZCTEOSA-N 428.579 5.377 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1csc(COc2ccc(F)cc2)n1 731332344 JKKPSKFAVWKGGA-CQSZACIVSA-N 427.526 5.508 30 20 IKED CC(C)(C)OC(=O)NC1CCC(=NNC(=S)Nc2ccc(Cl)cc2Cl)CC1 731924899 SBHRICXLASYYGV-UHFFFAOYSA-N 431.389 5.103 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@H](O)c1ccc(F)cc1 732419878 KMHHNMMKPRXUCZ-XFEAKLGESA-N 437.902 5.378 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(CO[C@@H]3CCC[C@@H](C)C3)c2)c1 733844188 HKTVDHMHKLEIFW-CTUHWIOQSA-N 435.568 5.785 30 20 IKED C=CCn1c(COc2ccccc2F)nn(CN2C[C@@H](c3ccccc3)C[C@@H]2C)c1=S 734475982 ASIYPEPMBULYBK-ICSRJNTNSA-N 438.572 5.154 30 20 IKED CC1(C)C/C(=C/c2nccn2CC(F)(F)F)C(=O)/C(=C/c2nccn2CC(F)(F)F)C1 736434455 SRWFUBRTZRRGDA-MFUUIURDSA-N 446.395 5.060 30 20 IKED CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccc(C#N)o2)NC(=O)N1c1ccc(C)cc1 743739005 QAEGRHBTQVLDMR-JOCHJYFZSA-N 446.894 5.297 30 20 IKED Cc1nc(C2CCCC2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 744025406 LBZZKFPBOKZKRQ-HNNXBMFYSA-N 435.521 5.385 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)cc1OC 744033538 UMTXYZZQYRXBBR-LJQANCHMSA-N 446.503 5.222 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1C(F)(F)F 744038308 PXGICXPKBWPHDX-GWCFXTLKSA-N 442.384 6.314 30 20 IKED COc1ccccc1N=C1SCCN1C(=O)CCCc1ccc(Br)s1 746091048 IEDLTWAQNDZVPL-UHFFFAOYSA-N 439.400 5.105 30 20 IKED CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 746719751 WVUQHSJWRBHMHO-QHCPKHFHSA-N 448.567 5.205 30 20 IKED C=C(C)COc1cc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)ccc1OC 747045762 LNEMQRWFHIMGJN-UHFFFAOYSA-N 449.363 5.386 30 20 IKED CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(C#N)c2)NC(=S)N1c1cccc(F)c1 747959543 JOOYOVZPUMCSJX-QHCPKHFHSA-N 442.519 5.046 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc23)c1 749994393 BRXSNSPNYABQCL-YJBOKZPZSA-N 439.968 5.366 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1 750597425 OHMDAMVJZQKFDJ-WWDZGPRUSA-N 446.617 5.380 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C 753901477 JOBBRMYPYJUTOT-UHFFFAOYSA-N 434.540 5.300 30 20 IKED CCOCCOc1cc(C)ccc1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 755776537 OUPCMJLRKNJVAY-VWLOTQADSA-N 443.547 5.388 30 20 IKED Cn1c(Cl)nc(Cl)c1CNc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 758451607 KTPAPFOFXKAUMS-UHFFFAOYSA-N 446.285 5.277 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCO[C@@H](c3cccs3)C2)c1=S 760409085 XTYHVUPJXFMMBS-QGZVFWFLSA-N 433.002 5.013 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)Nc3cccc(OCc4ccc(Cl)cc4)c3)CCO2)c1 761858656 SRTYYKYIDVCKNL-DEOSSOPVSA-N 447.922 5.396 30 20 IKED O=C1O[C@H](CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CC12CC2 763752278 ITTHUMNGIMCLCS-NWDGAFQWSA-N 435.286 5.013 30 20 IKED COc1ccc2ccccc2c1-c1cc(COC(=O)CSCc2ccc(C#N)cc2)on1 778105046 IVPQPVZREHPGGG-UHFFFAOYSA-N 444.512 5.352 30 20 IKED O=C(NOCCC(F)(F)F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 779326512 OZERWZSDJGCFOI-LNRGQDRPSA-N 441.334 5.109 30 20 IKED C[C@@H](C#N)Oc1ccccc1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 779989132 OGQKJPRYSPGPMK-ZDUSSCGKSA-N 442.269 5.520 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(-c4ccccc4)cc3)n2)cc1 780328618 QVBBMVGSMMUYJG-HSZRJFAPSA-N 435.508 5.604 30 20 IKED CC(=O)Nc1ccc2c(CN[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc(=O)oc2c1 782231757 OFSSRPFBXVRJHE-KRWDZBQOSA-N 437.499 5.141 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)OC(C)(C)C 782772083 GSZWMRSAIACIFE-KURKYZTESA-N 444.601 5.087 30 20 IKED Cc1cc([C@@H](CC(=O)O[C@H](C#N)C2CCCCC2)NC(=O)OC(C)(C)C)cc(Cl)n1 788217124 DYYFRHZZYDHSCQ-QZTJIDSGSA-N 435.952 5.015 30 20 IKED C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(Br)c(C(C)=O)c1 788847573 LQNLMXZLRLLJND-UHFFFAOYSA-N 436.371 5.304 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1nccc2ccccc12 792104322 XLPMSFVCYZBBDT-SFHVURJKSA-N 436.298 6.006 30 20 IKED C#C[C@H](NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1)c1ccc(Cl)cc1 794051992 UKYGIWDYULIVIL-FQEVSTJZSA-N 433.920 5.126 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)[C@H](C#N)c1nc2ccccc2s1 799600307 IILFOBCLAPZPNY-IMWIBFENSA-N 442.544 5.053 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cnc(Cl)c(Br)c1C 806420202 YUOSZTYWHZXXPR-UHFFFAOYSA-N 440.773 5.194 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 806798790 CKOUIQWBYMADLL-UHFFFAOYSA-N 441.251 5.177 30 20 IKED N#Cc1c(NC(=O)c2cc(Br)ncc2Cl)sc2c1-c1ccccc1CC2 808285207 YKTDSWJGAYQARZ-UHFFFAOYSA-N 444.741 5.449 30 20 IKED N#Cc1ccc(CN2CCC(O)(c3ccccc3C(F)(F)F)CC2)c(C(F)(F)F)c1 811496094 PWDFGWDZOXKLME-UHFFFAOYSA-N 428.376 5.079 30 20 IKED CC(=O)N(c1nc(/C=C2\Oc3cccc(Cl)c3C2=O)cs1)c1ccc(F)cc1F 811696125 ADXZLOZMBOKAKV-IUXPMGMMSA-N 432.835 5.376 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](Nc1nc(Cl)c(C#N)s1)CC(C)(C)O2 811863427 UJQXZLNGNWCNGA-CYBMUJFWSA-N 434.949 5.729 30 20 IKED COc1ccc(-c2nn(CN(C)Cc3ccc(C#N)cc3)c(=S)n2-c2ccccc2)cc1 914783331 VYUAORUNGMVKEQ-UHFFFAOYSA-N 441.560 5.040 30 20 IKED CC(C)(C)OC(=O)NCCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102774 HBPZIZGENPSMDX-CYBMUJFWSA-N 440.352 5.208 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cc(C2CC2)nc2onc(C(C)C)c12 915826244 ZYMIYAFHWBSXNL-UHFFFAOYSA-N 425.872 5.367 30 20 IKED CN(C)c1ccc(N2C(=O)/C(=C/c3cn(CCC#N)c4ccccc34)SC2=S)cc1 915858835 NVVVNPFPHAXLHY-STZFKDTASA-N 432.574 5.027 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)N(Cc1ccco1)Cc1ccccc1O 916673433 HIHZVNDSJXVPDI-UHFFFAOYSA-N 428.513 5.681 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(OCCC(C)C)cc2)cs1 917562375 GKYYTYYVEGHEHW-ZROIWOOFSA-N 448.588 6.457 30 20 IKED CCCOc1cc(/C=C/C(=O)c2cnc3sc(C(=O)OC)c(C)c3c2)ccc1OC 918156831 UQFLGFXKHJMPQW-SOFGYWHQSA-N 425.506 5.085 30 20 IKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(F)cc1 918276268 CRFHDWVSVMMKJD-BJKOFHAPSA-N 443.522 5.323 30 20 IKED O=C(/C=C/c1ccccc1OC(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918686158 VBWKCQMUSXDCCW-IEVRTODYSA-N 435.286 5.188 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1sc2nc(C(F)(F)F)ccc2c1C 920104248 NOKOAAJXFALYNX-AWEZNQCLSA-N 441.434 5.619 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CSCc1ccc(Br)cc1 920105858 GWYCVQVAEQGFTD-QGZVFWFLSA-N 441.350 5.064 30 20 IKED N#C[C@H](C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1nc2ccccc2o1 920115582 ISPOZRNBZFJWPK-LJQANCHMSA-N 435.439 5.245 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)CSc4ccc(F)cc4F)cc3)CCC2)C1 1786323015 DBEUMAFGSDUDPD-UHFFFAOYSA-N 442.531 5.157 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@]3(F)CCCCC3(F)F)cc2)CCC1 1789165998 DNXFFYJOEGQJKW-HXUWFJFHSA-N 444.444 5.250 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C(=C)Oc3ccccc3O)CCC2)cc1 1789453804 GFMCUIBHQYMHPK-QFIPXVFZSA-N 446.547 5.187 30 20 IKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)ccn1 1789752823 RGPAZVNBHICTDU-GOSISDBHSA-N 438.531 5.079 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c(C(C)(C)C)c3)CCC2)cc1)C(F)(F)F 1791302875 AZHDYIPYQHDICB-UHFFFAOYSA-N 433.474 5.178 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCC(F)(F)F)CCC3)cc2)c1 1792122792 RTMFXMMKNSBTNA-INIZCTEOSA-N 443.469 5.404 30 20 IKED C[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1)n1cccc1 1792126221 BSTWVGJBNFBZQJ-PMACEKPBSA-N 440.547 5.124 30 20 IKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@@H]4c4ccc(Cl)cc4)CCC3)cc2)CCC1 1792230503 VKWYKEPRVXYZGX-FGZHOGPDSA-N 447.966 5.271 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)C45CC(c6ccccc6)(C4)C5)cc3)CCC2)C1 1792377834 FFQAEEWYYRVUAM-UHFFFAOYSA-N 426.560 5.209 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCCn2cccc2)[nH]n1 1814441749 RQAVYLXOJAJPNF-NRFANRHFSA-N 439.604 5.066 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)ccc2F)n[nH]1 1814618523 KDGDOHMSHZSYFF-FQEVSTJZSA-N 444.938 5.277 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)ccnc2Cl)CC1 1825365119 CZADXVNSQQVDFZ-IBGZPJMESA-N 449.998 5.100 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(C)C)on2)CC1 1826152623 YCBUPRWANHWCJO-OAQYLSRUSA-N 429.605 5.024 30 20 IKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2oc3ccccc3c2C)CC1)C(F)(F)F 1828129463 LPOOBJJGLKVJJM-LJQANCHMSA-N 448.485 5.093 30 20 IKED Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c1 1830002269 LEWDNAJVIFNLRO-QHCPKHFHSA-N 449.982 5.067 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2Cl)CC1 1830570450 OPBPWKNCIJUSPB-SIKLNZKXSA-N 446.994 5.481 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2cccc(C)c2C)cc1 10167905 UHODQKSMBCGLLM-UHFFFAOYSA-O 431.625 6.130 30 20 IKED COc1cccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(N(C)C)cc2)c1 11261410 GYHDGGRNNITILT-UHFFFAOYSA-O 448.612 5.223 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)nnc1-c1ccccc1 21754853 AUWHSGVDTQIMTB-MOPGFXCFSA-N 442.588 5.642 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)cc1)=C(/S)Nc1ccc(Cl)c(Cl)c1 22695158 QYGDWMCUIXWJAD-UHFFFAOYSA-O 444.407 6.203 30 20 IKED Cc1sc2nc(SC[C@@H](C#N)CCC#N)n(-c3ccc(Cl)cc3)c(=O)c2c1C 24097740 GZUHSQVLCFGZDT-CQSZACIVSA-N 428.970 5.253 30 20 IKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2cccc(Cl)c2Cl)ccc1Cl 29274677 XXAQCLMEBWXSGL-UHFFFAOYSA-N 425.699 5.059 30 20 IKED N#CCCCOc1cccc(NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)c1 59770158 MFCGUTDVJZXELJ-UHFFFAOYSA-N 426.472 5.947 30 20 IKED COc1ccc(-c2cnc(CCC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)o2)cc1 63939954 KOCJDNJTWHRJFO-UHFFFAOYSA-N 439.471 5.585 30 20 IKED C=CCc1cc(CNC(=O)c2ccccc2SCc2cccs2)cc(OC)c1OC 65064303 WHKLPXCXZSQKGB-UHFFFAOYSA-N 439.602 5.716 30 20 IKED C=CCOc1c(Br)cc(/C=C\C(=O)c2ccc(O)c(OC)c2)cc1OCC 97993513 WMMRJZMTMJQSQJ-VURMDHGXSA-N 433.298 5.023 30 20 IKED COc1ccc(-c2nc(NC(=O)c3cc(C4CC4)nc(SC)c3C#N)sc2C)cc1 105283841 XQWFBCVIPHTEAI-UHFFFAOYSA-N 436.562 5.245 30 20 IKED C[C@@H](NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1cccc(C(F)(F)F)c1 219399178 YHSPPZBKEQRPRZ-LLVKDONJSA-N 445.338 5.540 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1cccc(C)c1 255935270 WNZNFRGETNCUBK-IBGZPJMESA-N 434.609 5.991 30 20 IKED C[C@@H]1CCc2c(sc3nc([C@@H](C)Sc4nc5c(cc4C#N)CCCC5)nc(O)c23)C1 302980934 TZFVWKXTIGSQHS-CHWSQXEVSA-N 436.606 5.520 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)cc1 303837265 PSHIOMVBYSYFQN-PMACEKPBSA-N 434.898 5.866 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)c1cc(F)ccc1OC 409520401 LIWRHRGLOCWDBQ-ZDUSSCGKSA-N 439.300 5.195 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)cc1 409804750 CPGGPGPHQKSBCG-PXDATVDWSA-N 427.504 5.640 30 20 IKED C=CC[C@@H](C(=O)NC[C@@H]1CCCN(C(=O)[C@H](CC=C)c2ccccc2)C1)c1ccccc1 427148669 YXNWZNZVUHLMIM-HDYLNDSGSA-N 430.592 5.061 30 20 IKED N#CCC1(CNC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 431094216 AGOCWMSPMPRBQJ-UHFFFAOYSA-N 435.427 5.188 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N[C@@H](CCCC#N)c3ccccc3)s2)cc1 431939233 QVSBSNTUVJFUII-GCJKJVERSA-N 448.592 5.923 30 20 IKED C[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccc(Oc2ccccc2)cc1 432492422 YLZCQSCHQNSOGK-IBGZPJMESA-N 427.504 5.337 30 20 IKED Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)cc2)n1 437472039 LUHKNWKTTGIFOI-UHFFFAOYSA-N 440.478 5.604 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@@H](c2ccc(F)cc2)O1 438210392 FJVIESIFJHVASG-OSPHWJPCSA-N 431.467 5.484 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(COCc2ccccc2)cc1 438365742 SJIOKUBWXRJIAF-CLJLJLNGSA-N 425.532 5.707 30 20 IKED Cc1nc(-c2ccc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)cc2)cs1 440683193 NPFFAJRPKOEMIH-UHFFFAOYSA-N 438.512 5.495 30 20 IKED C=CCC[C@H](NC(=O)N[C@@H]1CCC[C@H]([S@@](=O)CC)C1)c1ccc(C(F)(F)F)cc1 440842249 JEYWKLOTRIIOBV-AIZQWVBDSA-N 430.536 5.092 30 20 IKED Cc1csc(-c2cccc(S(=O)(=O)Nc3ccccc3S[C@H](C)CC#N)c2)n1 443412168 ZGTUUSYCAQRMTI-OAHLLOKOSA-N 429.592 5.314 30 20 IKED N#CCCCn1cc(C(=O)Nc2cccc(CSc3ccccn3)c2)c2ccccc21 444137271 DCUYETAMVJAZBD-UHFFFAOYSA-N 426.545 5.885 30 20 IKED N#CCCSc1ccccc1NCC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 446622629 FEGPLOBEUVEUET-QHCPKHFHSA-N 427.573 5.279 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)CCc2ncc(-c3ccccc3)o2)c1 460339912 QHUNAUAVRXUGLR-UHFFFAOYSA-N 441.918 6.033 30 20 IKED COc1cccc([C@@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)c1 461507941 PDEJKGLKIVBAHH-QHCPKHFHSA-N 441.560 5.277 30 20 IKED CSc1cccc([C@H](NC(=O)[C@H](C)Oc2ccccc2C#N)c2cc(F)ccc2F)c1 464138165 XGUZCTZZERIDHO-WNSKOXEYSA-N 438.499 5.231 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Oc4ccc(Cl)cn4)cc3)o2)cc1 464176517 VGMMKQIXGWPIFV-UHFFFAOYSA-N 445.862 5.823 30 20 IKED CC(C)CN(C(=O)[C@@H](C)c1cccc(C#N)c1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 464284317 JFHAWSLEBKNSSD-INIZCTEOSA-N 434.521 5.383 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)s2)cc1OC 464943681 MQTFVOPQMHDCRD-PMACEKPBSA-N 447.560 5.048 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCN3Cc3ccccc3)cc2Cl)c1 468865986 GUKXGARVCVJEDG-HSZRJFAPSA-N 431.923 5.004 30 20 IKED Cc1c([C@@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cnn1-c1cccc(Cl)c1 468926800 IUXXRRNHFWNQDD-QGZVFWFLSA-N 447.970 5.590 30 20 IKED Cc1ccc(C(F)(F)F)cc1NC(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 470237875 ORFYFLVQOUSHQL-UHFFFAOYSA-N 432.299 5.005 30 20 IKED CC(C)(C)[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(F)cc1 470542811 QFTHHMCJQLCPRQ-QHCPKHFHSA-N 436.531 5.318 30 20 IKED Cc1cccc(CN(CC(C)C)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 470546078 JUNQMCCDKCTDGO-UHFFFAOYSA-N 432.568 5.268 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 471318625 FJDFIUMTTSPCCH-AEFFLSMTSA-N 441.919 5.301 30 20 IKED CC[C@@H](C)Oc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 476180379 XZZNWYGXIBTHBC-MRXNPFEDSA-N 447.466 5.244 30 20 IKED N#CC[C@@H](CC(=O)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1)c1ccccc1 476213231 AJASMMVDELQLRG-FQEVSTJZSA-N 446.938 5.688 30 20 IKED CCc1cc(Br)ccc1NC(=O)c1occc1COc1cccc(C#N)c1 479085420 MPTXKYPEDGGFGE-UHFFFAOYSA-N 425.282 5.307 30 20 IKED Cn1ccnc1[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(Cl)cc1 481933001 SDEFXKFBIVNWDS-HSZRJFAPSA-N 442.906 5.257 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C 485701416 JWNBPSXTLHZDHV-UHFFFAOYSA-N 442.485 5.758 30 20 IKED CC[C@H](NCc1ccc(OC)c(OCCCC#N)c1)c1cc(F)cc(Br)c1 485703128 FLVPUMVNIKPRRS-IBGZPJMESA-N 435.337 5.520 30 20 IKED CCCc1noc2nc(C3CC3)cc(C(=O)N(CCC#N)C34CC5CC(CC(C5)C3)C4)c12 486581280 MQDMFDUIDZZVHQ-UHFFFAOYSA-N 432.568 5.377 30 20 IKED Cc1csc(N(C)C(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)n1 486726713 WOWIRQGDMQKCCR-UHFFFAOYSA-N 426.567 5.067 30 20 IKED C[C@@H](Sc1ccccc1Cl)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 490628205 GWDDRYGCYHRSAZ-QGZVFWFLSA-N 436.964 6.104 30 20 IKED C[C@@H](N[C@H](C)c1cc(F)c(Cl)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 492849375 BNNXTKXXWDMJRU-NXEZZACHSA-N 426.344 5.232 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)o3)CCO2)c1 492942085 APZGJRRHFPAKEN-OAQYLSRUSA-N 426.394 5.051 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 501855823 PDQDGBBZFGMJAM-OAQYLSRUSA-N 441.579 5.852 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c1 502135707 GSNWWFWGGLRCDG-QGZVFWFLSA-N 445.450 5.030 30 20 IKED COCCOc1ccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C)c1 502233179 NBASAOKDIYSIBA-JOCHJYFZSA-N 449.938 5.973 30 20 IKED Cc1nc(-c2ccc([C@H](C)NC(=O)NCCSCc3ccccc3C#N)cc2)cs1 504165277 NZEGGHATPJYYQY-INIZCTEOSA-N 436.606 5.284 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 505336663 CZHVNHRZDUNUGA-AWEZNQCLSA-N 438.673 5.744 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C 506159781 KGNUEDXOSWAPLV-GOSISDBHSA-N 448.592 5.682 30 20 IKED O=C(NCc1ccccc1OCC(F)(F)F)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 508829929 TXFZXZYNKXYMJS-HNNXBMFYSA-N 438.343 5.260 30 20 IKED CCN(C[C@H](C)C#N)C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1 509715858 PIHNRPQGOWXWRX-MRXNPFEDSA-N 429.549 5.079 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc(Br)s2)cc1Cl 510041272 NDUVIXLBUINKHI-QGZVFWFLSA-N 445.769 6.001 30 20 IKED COc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 510874635 NTKJYTPZDPQQMR-VWLOTQADSA-N 427.504 6.037 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccccc1)Cc1ccco1 510916230 LJIYKDXHHWJRHG-UHFFFAOYSA-N 437.499 6.486 30 20 IKED CC(C)(CCC#N)CNC(=O)C(=O)Nc1ccc2nc(-c3cccc(Cl)c3)sc2c1 510977351 MRFPBXJGTIEQHG-UHFFFAOYSA-N 440.956 5.001 30 20 IKED C=CCOc1cccc(NC(=O)N(CCC)Cc2nnc(-c3ccccc3Cl)o2)c1 510999401 NLIMVUJSEMUUDU-UHFFFAOYSA-N 426.904 5.399 30 20 IKED O=C(c1cc(OC(F)F)cc(OC(F)F)c1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 513552404 WQPANPGQOCHLMT-ZDUSSCGKSA-N 429.332 5.084 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1 515655490 QDCRYEQHIUUYQH-FQEVSTJZSA-N 432.907 5.175 30 20 IKED CCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1OCC 516714249 XNPRFUCBNCYSDS-FQEVSTJZSA-N 445.544 5.749 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(C)cc1)c1ccc(OC)cc1 518483226 IBKYNLPNJZOHMZ-AREMUKBSSA-N 427.548 5.587 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(-c3nccs3)c2)cc1C 518897220 LGKGSTSIPQQVTP-UHFFFAOYSA-N 427.533 5.456 30 20 IKED C=C(C)CN1CCC(NC(=O)c2oc3ccccc3c2COc2ccccc2Cl)CC1 520682754 NFLQFJZCTPIFCC-UHFFFAOYSA-N 438.955 5.436 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)cc1 522454052 XBRXIUPLHVHFED-SFHVURJKSA-N 430.508 5.778 30 20 IKED CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1 522526621 WAXIAYPTKHIUKM-YTTGMZPUSA-N 446.572 5.437 30 20 IKED C=CCOc1ccccc1CNC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 522599043 IKLXPFSVGWTGOQ-WJOKGBTCSA-N 434.561 5.022 30 20 IKED CC(C)[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1nnc2ccccn12 523957308 RUZWJBWWJBICNK-QFIPXVFZSA-N 445.910 5.174 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cc(N2CCCC2=O)ccc1F 525063063 MVVZMEITZCLMLY-UHFFFAOYSA-N 445.469 5.119 30 20 IKED COc1cccc(CCC(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)c1OC 525645722 WHMTVASVRMIGFE-UHFFFAOYSA-N 434.923 5.395 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 530500229 VVLLMMMEDFVINA-FQEVSTJZSA-N 429.564 6.395 30 20 IKED Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 534871655 KXCWLJCOVWUTEY-UHFFFAOYSA-N 447.922 5.332 30 20 IKED COCCOc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)nc2ccccc12 535405754 IHPFGSCGBMBNBB-HNNXBMFYSA-N 437.908 5.013 30 20 IKED C=C(C)[C@@H](CC(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)OCC 535907307 XNEVHOPTJYYHAN-CTNGQTDRSA-N 431.458 5.159 30 20 IKED CCN(CC)C(=O)Nc1ccc([C@H](C)NC2CCC(Oc3ccccc3C#N)CC2)cc1 536868057 GGYVHQKGKFKRAG-HRRASNIPSA-N 434.584 5.473 30 20 IKED CC(C)Sc1ccc([C@@H](C)NCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 537102456 CHOSLGRSOBFWIU-ZWKOTPCHSA-N 427.639 5.728 30 20 IKED C=CCN(C(=O)[C@@H]1CCC(=O)C[C@H]1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 538451404 URMZJRDFVCSNAA-WZONZLPQSA-N 430.573 6.001 30 20 IKED COc1cccc(-c2nnc(SCCCC3(C#N)CCOCC3)n2-c2ccccc2)c1 539670030 GIMZDBVQPPZKFI-UHFFFAOYSA-N 434.565 5.136 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CC1 548802522 LXNBEAMCYBVIDR-UHFFFAOYSA-N 432.911 5.617 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1)c1ccccc1 549166433 JNKDXAIGWXNJDT-ZJSXRUAMSA-N 434.584 5.246 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(Br)cc1F 554732863 AWVGLGFZVGDDPA-CYBMUJFWSA-N 440.272 5.138 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)c3cc(Cl)cc(F)c3Br)n2)c1 555884904 BYAJXUNKJBNACO-UHFFFAOYSA-N 436.693 5.489 30 20 IKED N#Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cnc1C(F)(F)F 558807452 JLLMJPVAEBQINE-UHFFFAOYSA-N 442.363 5.233 30 20 IKED COc1cc(C(=O)N2CCc3ccc(C#N)cc32)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 559474935 SPNKDXSTKZNCMH-UHFFFAOYSA-N 449.850 5.124 30 20 IKED N#CCCn1cc(/C=C(/CC(=O)O)c2nc3cc(Cl)ccc3s2)c(-c2ccncc2)n1 565870361 MVQRRSMRYMJNKQ-GDNBJRDFSA-N 449.923 5.137 30 20 IKED CN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 577421790 LVWGQYRZWXWEFL-IBGZPJMESA-N 447.819 5.626 30 20 IKED Cc1ccc(SCC(F)(F)F)c(NC(=O)N(C)CCOCc2ccc(C#N)cc2)c1 578915927 UPPFAQVJYLTLPB-UHFFFAOYSA-N 437.487 5.202 30 20 IKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc2n[nH]cc2c1 579872648 OZQMDJWBNZHCJY-QGZVFWFLSA-N 425.492 5.091 30 20 IKED CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 590237455 QVWLJULLDGUUFP-KRWDZBQOSA-N 448.906 5.399 30 20 IKED Cc1ccc(-n2nc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c3c2CCC3)c(C)c1 592975531 ILFYREDWAAKDOC-QGZVFWFLSA-N 445.473 5.213 30 20 IKED CCOc1c(Cl)cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1OC 603995559 MVQKJASYGJQLQS-UHFFFAOYSA-N 449.894 5.124 30 20 IKED N#C[C@H](C(=O)c1ccc(NC(=O)CSc2cccs2)cc1)c1nc2ccccc2o1 605074786 BKMJQWNSDOCKAE-MRXNPFEDSA-N 433.514 5.110 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccccc2CN(C)C(=O)c2cc3ccccc3o2)cc1 605634373 GUPHOZQCODCKRH-UHFFFAOYSA-N 440.499 5.522 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)NCc2cccc(CN3CCCCCC3)c2)c1 608813074 WBAIECRACLIFEK-UHFFFAOYSA-N 443.547 5.036 30 20 IKED CCCN(Cc1ccccc1F)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609078197 GKMMRUUWBJHWCP-UHFFFAOYSA-N 431.511 6.029 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(CCC#N)Cc1ccccn1 609142831 UYOHTHLCXGGPFT-UHFFFAOYSA-N 430.455 5.088 30 20 IKED CCCN(C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C)c1cc(Cl)ccc1C#N 609285484 AIKLAIFOOBRAIH-UHFFFAOYSA-N 449.986 5.954 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3nc(-c4cc5ccccc5o4)cs3)cc2)nc1 609497562 JHTMTQNRHBBNDJ-UHFFFAOYSA-N 438.468 5.868 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N(CCc3ccccc3)Cc3cccnc3)c2)cc1 609662002 OUTFBIIYLJDVDK-UHFFFAOYSA-N 447.538 5.417 30 20 IKED CSCc1cc(F)ccc1CNC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 610666462 DWKBAPOKKBOUSI-STQMWFEESA-N 446.432 5.397 30 20 IKED N#C[C@H](NC(=O)c1sc(-c2ccccc2)nc1C(F)F)c1ccc(Br)cc1 611182533 ABURLHXTUKELJE-AWEZNQCLSA-N 448.292 5.505 30 20 IKED N#C[C@H](NC(=O)c1sc(-c2ccccc2)nc1C(F)F)c1ccc(Cl)c(Cl)c1 611185595 YUTUGCXTNHCKRK-AWEZNQCLSA-N 438.286 6.049 30 20 IKED C[C@H](NC(=O)N1CCCO[C@@H](c2ccccc2)C1)c1ccc(-c2cccc(C#N)c2)cc1 611854317 OIJIVHRUWNAVLN-RXFWQSSRSA-N 425.532 5.459 30 20 IKED C[C@]1(C#N)CCCN(C(=O)N[C@@H](c2cccc(F)c2)c2cccc(Br)c2)C1 612375959 LKJVMUIMKSAONB-TZIWHRDSSA-N 430.321 5.013 30 20 IKED N#C[C@@H](C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)c1ccc2ccccc2n1 613290703 KIOLJIYQQARZRK-GOSISDBHSA-N 439.475 5.173 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cnn1-c1ccc(F)cc1 613319821 LTVYNVGSDGNKMQ-GOSISDBHSA-N 436.899 5.587 30 20 IKED CN(C(=O)C1CC1)c1ccccc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613403388 CRAFVXSWEJNYPJ-OAHLLOKOSA-N 443.450 5.178 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](c2cccs2)C(C)(C)C)nnc1-c1cccc(C)c1 613930225 IEELOXOXKQTMNT-FQEVSTJZSA-N 440.638 5.497 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1-c1ccccc1Cl)c1cccc(C#N)c1 619065110 URHMGVLDKIKGDI-CQSZACIVSA-N 438.314 5.348 30 20 IKED Cc1nc(-c2ccccc2)sc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 620304135 DFOZHBHIDYWHQH-AWEZNQCLSA-N 437.496 6.010 30 20 IKED O=C(NCCc1ccc(OC(F)F)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642659321 OTPIRJSRQXITSI-ITGUQSILSA-N 448.354 5.039 30 20 IKED COc1cc([C@@H](C)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OC(F)F 675739036 UMALQRGZKIENGT-XEZLXBQYSA-N 435.355 5.857 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1CCC(F)(F)F 677514352 BZMDYRDGGMNTQN-VXGBXAGGSA-N 435.330 5.821 30 20 IKED CCC(C)(C)NC(=O)c1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1Cl 726469675 OZTUPPSUYXXFNX-UHFFFAOYSA-N 435.380 5.592 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)CSc2nnc(-c3ccc(F)cc3)o2)c1 728181553 ODLVFMPCPWLVMC-UHFFFAOYSA-N 449.532 5.244 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 730395862 JMYUECHOMYEXTN-INIZCTEOSA-N 430.407 5.275 30 20 IKED COc1ccc(/C=C\C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1OC 730994271 IJUSBFFCEJKUFT-UITAMQMPSA-N 436.455 5.380 30 20 IKED CC(C)(C)n1cc(/C=C\C(=O)c2ccc3c(c2)NC(=O)CO3)c(-c2ccccc2Cl)n1 731156633 IUOMNDOXNWAVDN-NTMALXAHSA-N 435.911 5.186 30 20 IKED C=CC1CCN(C(=O)CCn2nc(-c3ccc(Cl)cc3)n(CCCC)c2=S)CC1 732003128 RGKUFCIFUWJPRQ-UHFFFAOYSA-N 433.021 5.349 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)ccc1OC 733276104 CYAFPWLRIANRIY-CQSZACIVSA-N 429.929 5.016 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OC 733652257 ALOMCUZAOHIIHB-PKTZIBPZSA-N 449.595 5.720 30 20 IKED CC(=NN=c1cc(C(F)(F)F)[nH]c(-c2ccncc2)n1)[C@H]1C[C@@H]1c1ccccc1Cl 735976564 OGYRSNHVCAIKNZ-HZPDHXFCSA-N 431.849 5.224 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C 737503527 UABRXKLXXOJFSW-UHFFFAOYSA-N 438.528 5.076 30 20 IKED CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 741537033 AIBWHNLFNJRWJQ-XMMPIXPASA-N 425.532 5.370 30 20 IKED Cc1ccc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)cc1NC(=O)OC(C)(C)C 742605360 RATPSDJNJXBZOK-SFHVURJKSA-N 444.329 5.099 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1cc(OC)ccc1Cl 742992180 ACIUBUHEYIWADA-UHFFFAOYSA-N 443.769 5.635 30 20 IKED N#Cc1ccccc1-c1ccc(COC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)cc1 745292155 KGTLDUYMWBBHGZ-UHFFFAOYSA-N 438.439 5.008 30 20 IKED COc1cccc(-c2nc(/C=C(\C(=O)Nc3cccnc3)C(=O)c3ccccc3)cs2)c1 747128186 PYIZBNNEVQZXOG-HMAPJEAMSA-N 441.512 5.119 30 20 IKED Cc1nn(C)c2nc(Cl)c(CN(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc12 749904327 ZDMPZNOOFHJAFF-UHFFFAOYSA-N 433.918 5.143 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc23)c1 749994385 BRXSNSPNYABQCL-CRAIPNDOSA-N 439.968 5.366 30 20 IKED C#CC[C@@H](NC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1ccccc1 757019604 PJQLTZQJIXUGOB-HHHXNRCGSA-N 434.543 5.162 30 20 IKED C=CCn1c(-c2cccs2)nn(CN(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1=S 758263541 RCTMDTQYDRNNMB-RTBURBONSA-N 444.601 5.277 30 20 IKED Cc1sc(Br)nc1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 764381493 DBJUZSQORDUFNE-UHFFFAOYSA-N 444.329 5.067 30 20 IKED O=C(CCc1ncc(-c2ccccc2F)o1)OCC(F)(F)C(F)(F)C(F)(F)C(F)F 764751115 IYQMCLDZJZJZBD-UHFFFAOYSA-N 449.269 5.128 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(O)c(Br)c2)cc1 765907331 IEGSDXGLCCVJAI-LJQANCHMSA-N 436.309 5.132 30 20 IKED CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C1CC1 765910707 UBEXFJMMZWQOEX-ATIYNZHBSA-N 448.567 5.157 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 768156231 MQDMNBLCMXXZRM-KRWDZBQOSA-N 433.726 5.195 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1)c1ccccc1 772540755 HIRZQQIJRYAHFV-HSZRJFAPSA-N 445.588 5.073 30 20 IKED CCS(=O)(=O)c1c(Cl)cccc1CNc1ccc(OCc2cccc(C#N)c2)cc1 775968464 INSKPMMYAOPCNL-UHFFFAOYSA-N 440.952 5.196 30 20 IKED N#Cc1cc(Cl)c(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c(Cl)c1 778437619 YUWXRJNQXOHPEQ-LLVKDONJSA-N 429.134 5.181 30 20 IKED CN(C)[C@@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1c(F)cccc1Cl 778619024 DWDXLCZXAIMGIG-JEOXALJRSA-N 449.885 5.360 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)c3ccccc3n2)o1 780305432 JBICNRMKFIXFKP-KRWDZBQOSA-N 429.863 5.418 30 20 IKED C[C@@H](OC(=O)C1(c2ccc(C#N)cc2)CC1)c1nnc(-c2ccc(Cl)cc2Cl)o1 781394216 FVSXWIJHAADSSV-GFCCVEGCSA-N 428.275 5.251 30 20 IKED C[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 782239040 UVRXBSZUPZGJQG-VIFPVBQESA-N 429.807 5.258 30 20 IKED C=CCCN(Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1)OCc1ccccc1 782664079 FXCRKIQOOBATPL-UHFFFAOYSA-N 441.984 5.991 30 20 IKED CCCc1c(NC(=S)Nc2ccc(Cl)cc2Cl)cnn1-c1cccc(C#N)c1 783952064 OHUAZXXFSIXLEX-UHFFFAOYSA-N 430.364 5.812 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)[C@@H](C)c1cn(C)c2ccccc12)c1ccc(Cl)cc1Cl 787052650 MTGQKVZIYLNZLG-SUNYJGFJSA-N 442.346 5.175 30 20 IKED Cc1sc2ncn(N=Cc3ccc(OC(F)(F)F)cc3)c(=O)c2c1-c1ccccc1 794752408 UCDSLHCJQHICLS-UHFFFAOYSA-N 429.423 5.214 30 20 IKED N#CC[C@@H](CC(=O)OCC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 795988549 YRXVYJHJPZRABE-IBGZPJMESA-N 428.513 5.447 30 20 IKED CC(C)c1ccc(-n2cnnc2SCC(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cc1 797569132 AVUXTMIPSZZRDC-KRWDZBQOSA-N 439.610 5.113 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)/C=C/Sc1cc(F)ccc1F 797937055 CJQAATXIPVRYDS-VFNNOXKTSA-N 448.516 5.004 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)cc1 800518930 HGCZRHNPGAVIFA-FTJBHMTQSA-N 448.526 5.067 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(C(F)(F)F)s1)c1ccc(Cl)cc1Cl 802798992 CPVPVIWUXTYXPZ-KWQFWETISA-N 435.254 5.274 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)cc1 809918554 JAGCKHZQDALPAE-UHFFFAOYSA-N 438.846 5.493 30 20 IKED N#Cc1cc(-c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)cnc1C(F)(F)F 904490718 XNFSROUQLPHIAQ-UHFFFAOYSA-N 446.392 5.087 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)c1=S 914567453 BSFFSYGBTUCLEL-UHFFFAOYSA-N 445.514 5.303 30 20 IKED N#CC1(NC(=O)COC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)CCCCC1 914963722 MWNOOBWOPRWCIA-UHFFFAOYSA-N 444.862 5.073 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1 915102519 VUNQZOAWYYLUNB-LJQANCHMSA-N 433.533 5.325 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103113 OUZILKGLYIPSCH-WBMJQRKESA-N 448.375 5.084 30 20 IKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccccc1N1CCCCC1 916278307 GDKWNFJPJNSJGR-UHFFFAOYSA-N 427.577 5.183 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(CSC(F)F)o1 916310300 XBRYTQOMUDJJOF-UHFFFAOYSA-N 431.489 5.364 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(COc2ccccc2)cc1 916901551 KPMDKUOEIZTPQP-FQEVSTJZSA-N 448.906 5.197 30 20 IKED Cc1ccc(C(=O)CCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916907410 YNDWZTMLWAPEHT-OAQYLSRUSA-N 426.472 5.098 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(F)cc3)cc2)cc1Cl 916938844 NYMSWECIJYYQQS-LJQANCHMSA-N 438.842 5.241 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)cc1 916953703 UPZQFMQXZOWHDR-QGZVFWFLSA-N 445.327 5.692 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1 916956051 XLKFCHXVDQRSDK-VGSWGCGISA-N 449.551 5.186 30 20 IKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@H](OCC(F)(F)F)C1 917751199 DTKIMRWEOKRILA-NQHOJNORSA-N 449.313 5.307 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Sc3ccccc3Cl)n2)cc1 920139375 SNUKKEDZYNRGOS-CZUORRHYSA-N 428.966 5.829 30 20 IKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccc3c(c2)CCC3)[n+]2cccc(C)c2)N=C1C 920396110 RKYKAWZDNIKTEY-UHFFFAOYSA-O 446.596 5.089 30 20 IKED CCOc1cc(/C=C2\Cc3cc(C)ccc3C2=O)ccc1OCC(=O)Nc1ccccc1 921263941 LNESRLJJJQKHPW-KGENOOAVSA-N 427.500 5.234 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc4ccccc34)CCC2)cc1 1786366173 OTZKHRBOFFGNJH-UHFFFAOYSA-N 442.559 5.570 30 20 IKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc[nH]c4cc3F)CCC2)cc1 1786393729 JDYQWJVEKHEGQM-NRFANRHFSA-N 439.556 5.009 30 20 IKED CC[C@H](C(=O)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1)c1ccccc1 1787646665 RSRGJPKZAHBZRA-USMPFQSLSA-N 443.547 5.026 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCC(F)(F)F)cc3)CCC2)c1 1787872625 REZOZHGLZYHGJC-INIZCTEOSA-N 443.469 5.404 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(F)ccc4[nH]3)cc2)CCC1 1789235481 BQCOAOWSPYYBKJ-UHFFFAOYSA-N 441.453 5.266 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3c(OC)cccc3OC)CCC2)cc1 1789455846 FREMLTPGBUERDA-NRFANRHFSA-N 448.563 5.220 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C(C)C)cc3)cc2)CCC1 1791394529 GHUVPVUOIQRXQH-HXUWFJFHSA-N 449.595 5.288 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)/C(C)=C/c2cccs2)[C@H]1c1cccnc1 1802435218 BFALTKVHJYGLDJ-OIOFWSRHSA-N 449.620 5.021 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(Cl)cc3F)C2)CC1 1805064938 LMIDGBQIQCCFSC-LJQANCHMSA-N 432.967 5.092 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)/C=C\c3c[nH]c4ccccc34)CC2)C1 1805452084 OVCQJDFHNQJSRZ-SEYXRHQNSA-N 445.607 5.181 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)[C@@H]1c1cccnc1 1812900051 XNEHRPFYPPUNAE-KOVSNXQUSA-N 439.644 5.296 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)s2)[nH]n1 1814827677 USLMBQPWNZBFCV-SFHVURJKSA-N 447.004 5.128 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(C)cccc3[nH]2)[nH]n1 1814829426 QJORLNGGPWZHFH-HSZRJFAPSA-N 445.567 5.274 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C(C)(C)C)oc2C)[nH]n1 1821921751 VIYGNFUHBNWIOS-KXBFYZLASA-N 426.561 5.127 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)[nH]n1 1821922388 IQMQWBXLBKFLJE-RISCZKNCSA-N 441.384 5.296 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2OCC)CC1 1830606690 UCRZCUFDBGIPIT-XMSQKQJNSA-N 447.019 5.184 30 20 IKED CC(C)(C)CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1831577851 RTCAKMODKIGHDX-HSZRJFAPSA-N 440.632 5.116 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccc(Cl)cc1 8877505 YXRGJGDIHZURIW-OAHLLOKOSA-N 440.956 5.106 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccccc1CC 10174272 NLPOWRZQGAOOIU-UHFFFAOYSA-O 448.612 5.297 30 20 IKED Cc1cc(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2cccc(O)c2)c(C)s1 11265294 SXBGLEBMVKDQTL-UHFFFAOYSA-O 425.599 5.532 30 20 IKED C[C@H](OC(=O)c1cc(F)c(F)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCCCC2 15715982 YTMYVMLGJJVSFG-JTQLQIEISA-N 438.883 5.004 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2ccccc2C(C)C)cc1 72074619 FWEWMTRGZQNXBS-GOSISDBHSA-N 429.520 5.922 30 20 IKED Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 107659532 FSPTWZPPKHHMBP-QFIPXVFZSA-N 443.938 5.882 30 20 IKED N#CCCCOc1cccc(/C=C2/CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)c1 110397839 INFSGFCNDKKVCO-VBKFSLOCSA-N 425.410 5.042 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2ccc(Cl)cc2)c1 301578345 DJUFFSUCQGQLIP-UHFFFAOYSA-O 440.932 5.203 30 20 IKED Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 301631738 JHXIYUBZOKNSGD-LJQANCHMSA-N 438.919 5.171 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(COc3cccc(F)c3)c2)c1 303143557 MNVONFOWGVQGJI-UHFFFAOYSA-N 442.446 5.701 30 20 IKED N#CCCn1ncc(C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)c1-c1ccccc1 428721423 DLYWZHBQNIFUDI-IBGZPJMESA-N 425.319 5.188 30 20 IKED N#CCSc1cccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)c1 429782551 FHBMKKYOITXJSM-LJQANCHMSA-N 448.375 5.242 30 20 IKED COCc1nc2cc(NC(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)ccc2o1 431179300 CJVMHHZRRPHNJO-UHFFFAOYSA-N 432.411 5.421 30 20 IKED N#CCc1cccc(C(=O)Nc2nc3cc(Br)ccc3n2Cc2ccccc2)c1 437011809 XSIOECQLBLXZNZ-UHFFFAOYSA-N 445.320 5.165 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)F)cc1F 437474003 NJQPNHVCRAVRSB-ZWKOTPCHSA-N 438.405 5.833 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(F)ccc2Br)cc1F 437481609 BPGFLMZMGLPTGQ-UHFFFAOYSA-N 429.220 5.644 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)c1 437487250 TUZBKYZOEOJLAJ-KESTWPANSA-N 440.421 5.425 30 20 IKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 438640075 ZKXJBXOFAHTSLD-UHFFFAOYSA-N 426.442 5.778 30 20 IKED C[C@H](C#N)CSc1ccccc1NCC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 446622837 GIIPKHTYCVAADE-YKSBVNFPSA-N 441.600 5.525 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)cc1 448406822 MDVDJQIUZCVNOR-UHFFFAOYSA-N 429.973 5.044 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCc1nc2ccc(Br)cc2o1 460869460 OUJOIAZTNDZODV-UHFFFAOYSA-N 441.354 5.251 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@H]2c2cc(F)c(F)c(F)c2)cc1 463578271 ODAXBLKFDMMEAT-PMACEKPBSA-N 436.433 5.491 30 20 IKED CC[C@@H]1Oc2cc([C@@H](C)NC(=O)Nc3ccccc3S[C@@H](C)CC#N)ccc2NC1=O 467704454 FMULTKIYLQCMJR-KHYOSLBOSA-N 438.553 5.073 30 20 IKED N#CCCN(CC(F)(F)F)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 471254500 VKVZUIJJTOTIJH-UHFFFAOYSA-N 446.860 5.040 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cnn1-c1cccc(Br)c1 474450715 WPZFAMOSKROPMT-OAHLLOKOSA-N 429.343 5.013 30 20 IKED C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1cn(C)c2ccccc12 475406873 CFQVXQOSUHYCMS-AWEZNQCLSA-N 431.483 5.945 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 475566312 YSPLDLPSBVQUDO-NRFANRHFSA-N 432.486 6.163 30 20 IKED CCOC(=O)c1ccc(C#N)c(S[C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)n1 477523850 QSSGGUPUJCZEPN-ZDUSSCGKSA-N 427.913 5.600 30 20 IKED CCCC(=O)Nc1ccc(Cl)c(NCC(=O)N(CCC#N)c2cccc(Cl)c2)c1 478936410 FFDGPCMCHLXXCF-UHFFFAOYSA-N 433.339 5.091 30 20 IKED COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481682587 FRQKAORSZWDSDW-HSZRJFAPSA-N 445.494 5.654 30 20 IKED COC(=O)c1ccc(-c2nc(CSc3nc(C(F)(F)F)ccc3C#N)cs2)cc1 488801867 QDXZUYVQBSCNAK-UHFFFAOYSA-N 435.452 5.174 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 489255841 LPFOWANYFUHYTM-OAQYLSRUSA-N 432.515 5.231 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cccc(N2CCNC2=O)c1C)c1ccc(C(F)(F)F)cc1 489895848 HZPDWZQLVDFWNW-LJQANCHMSA-N 446.473 5.372 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)cc1Cl 494533653 QWTFVZFDVAWTAX-SFHVURJKSA-N 432.804 6.406 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3C[C@H]4CCCC[C@@H]4C3)s2)c(C(F)(F)F)c1 496368751 ZLPKEPVHKUSDEW-HZPDHXFCSA-N 434.487 5.278 30 20 IKED CC(C)CC[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1ccc(Cl)cc1 498631624 VPTNIWFBUJNGRF-QFIPXVFZSA-N 447.000 5.325 30 20 IKED CC(C)(CCC#N)CNC(=O)N[C@@H](c1cccc(F)c1)c1cccc(Br)c1 499740372 KDKGJAYEJBSOOJ-LJQANCHMSA-N 432.337 5.307 30 20 IKED C=CCc1cc(CN[C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)cc(OC)c1O 500891820 GHRCULVTAGYTLD-CQSZACIVSA-N 428.985 6.065 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 503221028 BDYZMOVCKVWULC-RTBURBONSA-N 430.577 6.755 30 20 IKED N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)F)c1ccc(OCc2ccccc2)cc1 505361038 CMWDKPHXMRSJNR-VJBWXMMDSA-N 448.469 5.352 30 20 IKED CC1CCC(Oc2cc(CNC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)ccn2)CC1 505568573 LKRXHVJCQASNMC-UHFFFAOYSA-N 442.519 5.028 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N[C@@H](C#N)C1CCCCC1 506525712 KOQWOGISQJQDFM-KRWDZBQOSA-N 433.936 5.304 30 20 IKED C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CC[C@]2(C1)OCc1ccccc12 508748610 RUASMRPFTLSKME-JOCHJYFZSA-N 427.335 5.074 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@](C)(c2ccc(F)cc2)C1 508811431 HJRGXXWACKXXGZ-JCYRPKCISA-N 432.543 5.016 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@H](CC(F)(F)F)c3ccc(F)cc3)cc2)nc1 509278311 GQYPMNOFUXZYSD-LJQANCHMSA-N 429.373 5.308 30 20 IKED N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1c(Cl)cccc1C(F)(F)F 510205250 GJFBEDOSWCKTGF-UHFFFAOYSA-N 447.869 6.023 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)[C@H]1CCCN(C2CCC2)C1 511271925 XXDBIXYUGXTEJO-FPOVZHCZSA-N 432.568 5.434 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H]3CCSc4c(F)cccc43)c2)c1 511531738 MCMKMCWXWKTSEW-OAQYLSRUSA-N 446.507 5.308 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCc1nc(-c2ccc(Br)s2)no1 511666698 OYZOEWFLRVMKJB-NSHDSACASA-N 435.372 5.567 30 20 IKED CCN(CC)C(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 511754878 JZHKUGKYQRXQQV-IBGZPJMESA-N 437.952 5.436 30 20 IKED COc1ccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1-c1ccnn1C 512921304 MZTIBTFXQUTPMU-UHFFFAOYSA-N 440.528 5.047 30 20 IKED N#C[C@@H](C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1nc2ccccc2s1 513695870 NSZLYSGMOCURNI-HNNXBMFYSA-N 445.504 5.235 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)cc1 515096354 HYNDEZGJOUXHSI-UHFFFAOYSA-N 445.906 5.170 30 20 IKED Cc1cc(C)n(-c2ccc(CCNC(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)n1 517529003 FNVUUPXYJAHMDD-LJQANCHMSA-N 433.581 5.248 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 517909532 JTTKXBKLMHALBC-JOCHJYFZSA-N 448.567 5.818 30 20 IKED C[C@@H]1CN(c2ccccc2NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@@H](C)O1 518027735 UVSDGGQHUMHUKR-QZTJIDSGSA-N 445.494 5.356 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 518169934 WAWRVSHVGAZFMX-KRWDZBQOSA-N 443.016 5.378 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)n1 518507763 OGGKDOCKNXDGIY-HNNXBMFYSA-N 431.286 5.636 30 20 IKED CCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OC 518516673 RSXBZCQHQWECMZ-INIZCTEOSA-N 442.924 5.369 30 20 IKED C=C(C)CN1CCC(NC(=O)Nc2ccc(S[C@@H](C)CC)cc2C(F)(F)F)CC1 519287125 VGZQPFPXQBDKAX-HNNXBMFYSA-N 429.552 5.758 30 20 IKED CCCO[C@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 520850843 YDHZCSLDVQPZDG-UNMCSNQZSA-N 425.960 5.808 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(OCc2ccncc2)cc1 522061974 HQGMUKUKADOUSB-UHFFFAOYSA-N 428.561 5.321 30 20 IKED CCCOc1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc2ccccc12 522293944 PSJFAZAQALBHEG-FQEVSTJZSA-N 438.512 5.509 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)c2)cc1 522306582 AUKKYIVUTMGRGH-QHCPKHFHSA-N 439.540 5.724 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 522572445 XRWJFHICVFCKLO-NRFANRHFSA-N 435.911 5.164 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)cc1NC(=O)c1ccccc1F 522830633 KJWFDANYQDKPPL-SFHVURJKSA-N 426.451 5.061 30 20 IKED C=CCN(C(=O)C[C@H](C)c1cccnc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 522887739 IZMMCFJHRNUTRM-AWEZNQCLSA-N 432.376 6.225 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1CCN(Cc2ccccc2)CC1 524406164 KHEAZHWGKSOBJS-UHFFFAOYSA-N 439.559 5.296 30 20 IKED O=C(NCc1nc(C(F)(F)F)cs1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 524893024 WOQLCJTYXFTAJS-UHFFFAOYSA-N 437.287 5.521 30 20 IKED N#CCCCN1C(=O)CCc2cc(NCc3csc(-c4ccc(Cl)cc4)n3)ccc21 527292801 OWOONTQVEWAJGT-UHFFFAOYSA-N 436.968 5.659 30 20 IKED C=C[C@@H](CC(=O)NC[C@@H]1CCCN(C(=O)C[C@H](C=C)c2ccccc2)C1)c1ccccc1 535377871 FGHKWAZYVNDPRW-HJOGWXRNSA-N 430.592 5.061 30 20 IKED CC(C)Cn1cc(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(C(F)F)n1 536409331 JEHGGFWMTVJKAY-UHFFFAOYSA-N 425.439 5.785 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](c1ccccc1)[C@H]1CCOC1 537897475 QAHVXAKCKHMPJG-LAUBAEHRSA-N 447.348 5.064 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)Nc2cccc(CN3CCCCC3=O)c2)cc1 540226830 OZTIYHMQQWELRJ-UHFFFAOYSA-N 438.531 5.059 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 541948623 UNQOKPRKKIAEJE-GFCCVEGCSA-N 440.208 5.861 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 542536074 MPZUFZMYMRMOEQ-MRXNPFEDSA-N 433.439 5.235 30 20 IKED Cc1ccccc1OCCCC(=O)Nc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 554114534 KVRMNXGNQULCAJ-FQEVSTJZSA-N 445.538 5.654 30 20 IKED CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(Br)cc1C#N 558089482 YBARETRTMPFNGJ-UHFFFAOYSA-N 441.156 5.088 30 20 IKED COc1ccccc1SC[C@H](C)CNC(=O)Nc1ccccc1S[C@H](C)CC#N 561408729 SVCRTTRXCHJBJT-IAGOWNOFSA-N 429.611 5.639 30 20 IKED C=CCn1c(SCc2ccc(S(C)(=O)=O)cc2)nnc1-c1ccc(C(C)(C)C)cc1 566870131 BNWFTYXULKBYGW-UHFFFAOYSA-N 441.622 5.124 30 20 IKED Cc1sc(C2(N[C@@H](C)C(=O)Nc3ccccc3C#N)CCC2)nc1-c1ccccc1F 572140172 WQBIGKPBCWKRBT-HNNXBMFYSA-N 434.540 5.125 30 20 IKED C=CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H]1c1ccc(Br)s1 581160954 UICJJZQSIJFIGW-OAHLLOKOSA-N 445.386 5.305 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(OCc4cccnc4)cc3)c2)cc1 603815524 LZSCSHJFGYUJII-UHFFFAOYSA-N 449.510 5.558 30 20 IKED Cc1sc2nc([C@@H](C)Nc3cccc(OCc4cccc(C#N)c4)c3)nc(O)c2c1C 604044592 XJEHSDWROIHQGV-OAHLLOKOSA-N 430.533 5.638 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CSCC(=O)c3ccccc3)cc2Cl)cc1 604526989 FVBHVWSEIWPGAC-UHFFFAOYSA-N 436.920 5.559 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1 604563902 XJCCXZJFTUNPJS-UHFFFAOYSA-N 443.425 5.592 30 20 IKED CCCC[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609054145 WFGIMRDPGYFSDL-JZWVFAODSA-N 437.971 5.409 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1(c2ccccc2)CCOCC1 609060889 GSXCTGJBZHXYES-UHFFFAOYSA-N 426.516 5.133 30 20 IKED Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 609376758 JIZHRMVJEAIVBB-AWEZNQCLSA-N 438.578 5.483 30 20 IKED Cc1nc(C2(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)CCCCC2)no1 609722741 BIVKVBVOSURLKZ-UHFFFAOYSA-N 436.899 5.285 30 20 IKED COCCn1ncc2ccc(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)cc21 609725129 HARFCPVYVYYXJH-UHFFFAOYSA-N 446.894 5.252 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)NC3CCC(c4ccccc4)CC3)c2)cc1 609937980 LGGWTQPJLXNMTP-UHFFFAOYSA-N 439.515 5.132 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)COC(c2ccccc2)c2ccccc2)c1C 610053761 VYWKJYRKZACHJV-UHFFFAOYSA-N 436.515 5.106 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCCCc2nc3ccccc3s2)c1C 610054516 OOZDCSQIFBQABG-UHFFFAOYSA-N 429.549 5.322 30 20 IKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)cc12 613290556 GFNSPJZTWUGHFZ-IBGZPJMESA-N 426.476 5.573 30 20 IKED C=CCn1c(SCC(=O)N(Cc2cccc(F)c2)C(C)(C)C)nnc1-c1ccoc1C 613907618 JIYCBXTZTFNFEQ-UHFFFAOYSA-N 442.560 5.091 30 20 IKED Cc1c([C@H](C)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)nnn1-c1ccc(F)cc1 675737802 JPKCXDPZFUTJBS-CYZMBNFOSA-N 438.391 5.275 30 20 IKED N#C[C@@H](C(=O)c1coc(-c2ccccc2Cl)n1)c1nc2cc(C(F)(F)F)ccc2s1 678970355 QTKOPXFOTUFJKQ-LBPRGKRZSA-N 447.825 6.114 30 20 IKED C=C(C)Cn1c(SCc2nc([C@H]3CCc4ccccc4C3)no2)nnc1-c1ccco1 680772894 NCWDCWNLUFEVJE-SFHVURJKSA-N 433.537 5.062 30 20 IKED C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 681497247 KYPXTFQQDVOHCB-CDMKHQONSA-N 434.327 5.264 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C(=O)c4ccc(F)cc4)CC3)cn2)cc1 683936983 KQZVHCVPLVVEIT-UHFFFAOYSA-N 444.466 5.011 30 20 IKED N#Cc1cnc2ccccc2c1OCCOC(=O)c1cnc(-c2ccccc2Cl)s1 726363864 DKJVNNDDUBNUNJ-UHFFFAOYSA-N 435.892 5.119 30 20 IKED COc1ccc(C(=O)/C=C/c2c(C)nn(Cc3ccc(C)cc3)c2Cl)cc1NC(C)=O 726430309 XXXUFTQPEAAECJ-ZHACJKMWSA-N 437.927 5.065 30 20 IKED Cc1ccc(C(=O)CCC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1C 727751120 LVJSFRIOHKXXRR-VWLOTQADSA-N 426.516 5.226 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 728148199 XUCNKQCTSYGYHH-GAJHUEQPSA-N 441.487 5.205 30 20 IKED C#Cc1cccc(N(Cc2ccco2)C(=O)CCc2ncc(-c3ccccc3Cl)o2)c1 728186333 XNJZUQANGAHOFV-UHFFFAOYSA-N 430.891 5.735 30 20 IKED C#Cc1cccc(N(Cc2ccccc2)C(=O)CCCc2nc(-c3ccc(F)cc3)no2)c1 728248706 WDWXIBZVIOPUOE-UHFFFAOYSA-N 439.490 5.413 30 20 IKED Cc1ccc(Cl)c(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1Cl 728446207 JZRINMKDWZFDBT-UHFFFAOYSA-N 428.344 6.775 30 20 IKED O=C(/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1csc(C(=O)O)c1 730148747 KUZVFLPYENYYGX-DJWKRKHSSA-N 448.250 5.273 30 20 IKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(C3CCC3)C2=O)cc1 730459052 FRIJKXUVAWIBGZ-QFIPXVFZSA-N 449.576 5.019 30 20 IKED N#CCOc1ccc(CC(=O)O[C@H](CC(F)(F)F)c2ccc(Br)cc2)cc1 731993914 LCSXEBSMFYMZCI-QGZVFWFLSA-N 442.231 5.131 30 20 IKED Cc1ncc(/C=C/C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)s1 732732290 NKHFHUYHBJOLPC-SNAWJCMRSA-N 434.468 5.041 30 20 IKED CCc1nc(COc2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2)no1 734317871 CYFFHZRKVTYMST-QHCPKHFHSA-N 438.487 5.119 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](O)c1ccc(OC(C)C)cc1 734932826 SWEXZYOOKPKGSO-RUZDIDTESA-N 445.519 5.301 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CCSC[C@@H]2c2ccc(Cl)cc2)c1=S 738256425 TXBSYFGRAKWWIT-LJQANCHMSA-N 444.029 5.063 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)O[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C 740327389 JFJIJHRMDKRKMX-INIZCTEOSA-N 435.442 5.379 30 20 IKED O=C(/C=C/c1ncc(-c2cccc(Br)c2)[nH]1)c1ccc(-c2ccncc2)cc1 745989900 GFOJSDSYFWODSE-CMDGGOBGSA-N 430.305 5.797 30 20 IKED Cc1ccc(-c2ncc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)s2)c(C)c1 747111540 BHRYVSLYBAFFRS-QGZVFWFLSA-N 444.343 5.695 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C\C(=O)c1ccc(N2CCOC2=O)cc1 748584708 UKKIVLQWIWRHDO-KHPPLWFESA-N 442.302 5.340 30 20 IKED CCOc1ccccc1C(F)(F)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 753078287 KFUZUPWXMSVZMI-QWRGUYRKSA-N 433.339 5.203 30 20 IKED C=CCn1c(-c2cccs2)nn(CN(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1=S 758263540 RCTMDTQYDRNNMB-RBUKOAKNSA-N 444.601 5.277 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccc(C(C)=O)cc3)cc2)cc1C#N 760599740 NHWQJNUYXSTUIN-UHFFFAOYSA-N 443.459 5.374 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)s2)cc1 761688598 NQPIVFVMEZLETN-PGRDOPGGSA-N 446.576 5.143 30 20 IKED N#Cc1cc(NC(=O)c2cc(C(F)(F)F)ccc2Br)c(Cl)c([N+](=O)[O-])c1 764302554 VHISOXJRTIFKKB-UHFFFAOYSA-N 448.582 5.153 30 20 IKED C=C(Cl)COc1ccc([C@H](C)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1 766001357 HOURTMRUFDNLLJ-MOPGFXCFSA-N 435.955 5.877 30 20 IKED Cn1ccnc1COc1ccc(C(=O)/C=C/c2ccc3ccc(Br)cc3n2)cc1 771525561 DNODDXJIJMUZRD-DHZHZOJOSA-N 448.320 5.206 30 20 IKED N#C[C@H]1C(CN[C@H](c2cccc(Cl)c2)C2CCCC2)=CC(=O)n2c1nc1ccccc12 775526835 LVKXDPDEFSXTES-RDPSFJRHSA-N 430.939 5.398 30 20 IKED COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)Nc1ccccc1O[C@H](C)C#N 780178491 TWJZCUGNOAJODU-CYBMUJFWSA-N 445.903 5.239 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 780675741 UEXPSVOSNMMGNJ-JTSKRJEESA-N 443.482 5.029 30 20 IKED C[C@@H](OC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1nnc(-c2ccccc2F)s1 784966909 FIDDPVGCIKHMPM-OAHLLOKOSA-N 447.495 5.039 30 20 IKED CC[C@@H](C#N)Oc1cc(CNCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)ccc1OC 785466546 QIILLCXRDUFMLU-IBGZPJMESA-N 444.457 5.075 30 20 IKED Cc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)Nc2ccsc2)cc1 790116502 LFRXHLSJPCHWHR-UHFFFAOYSA-O 438.598 5.074 30 20 IKED COc1ccccc1-c1ncc(/C=C/C(=O)c2ccc(OC[C@H]3CCCCO3)c(F)c2)cn1 792888117 XJHHENMVCXTQFM-WAEYIKQSSA-N 448.494 5.135 30 20 IKED CC(C)(CCC#N)CNC(=O)Nc1cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c1 806467398 SRXQHGDNWCVVBU-UHFFFAOYSA-N 442.482 5.182 30 20 IKED C#CCOc1ccccc1-c1noc(-c2c(-c3cccc(Br)c3)noc2C)n1 809395954 UGCQTWDSMYVNOQ-UHFFFAOYSA-N 436.265 5.142 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)C3CCOCC3)cc2)ccn1 810282923 DMHOUESWBFWILF-DEOSSOPVSA-N 428.492 5.035 30 20 IKED N#C[C@@H](C(=O)CCc1cc(Cl)ccc1Br)c1cc(C(F)(F)F)ccn1 813214704 RMGDUGVNRVOJKP-CYBMUJFWSA-N 431.639 5.325 30 20 IKED Cc1nc(Br)sc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 813398496 ZVKHJVIVNILMKJ-HNNXBMFYSA-N 446.757 5.775 30 20 IKED C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(C(F)(F)F)nc1Cl 816764570 XJHGBFZSLBKRGK-GFCCVEGCSA-N 449.816 5.288 30 20 IKED CC(=Nn1c(S)nnc1COc1cc(C)ccc1C(C)C)c1ccc(-n2cccn2)cc1 874096983 AFINEWKYHCCTIR-UHFFFAOYSA-N 446.580 5.036 30 20 IKED Cc1cc([C@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccccc2C)c(C)s1 914691526 PQJGYCCAHMBRDR-MGPUTAFESA-N 441.622 5.035 30 20 IKED FC(F)(F)c1cccc(NC(=S)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 914707720 ZCGQVGYHQHCVRH-NXEZZACHSA-N 438.359 5.901 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1 915353898 RGOLJCBHHWCCIN-JOCHJYFZSA-N 430.939 5.350 30 20 IKED CC(=NNc1ncc(Cl)cc1Cl)c1ccc(OCC(=O)Nc2ccccc2C)cc1 916594497 GLGPBIQEMNSIQU-UHFFFAOYSA-N 443.334 5.550 30 20 IKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3)cc12 916898991 LGWASONZFPWIIF-INIZCTEOSA-N 434.908 5.010 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(COc2ccc(F)cc2)o1 916900959 VGXWRNBOYHAVLX-NRFANRHFSA-N 434.467 5.084 30 20 IKED N#C[C@@H](C(=O)COc1ccc(Cl)cc1C1CCCCC1)C(=O)Nc1ccccc1Cl 916911871 OBXVCYBMDQPGRH-SFHVURJKSA-N 445.346 5.767 30 20 IKED Cc1cc2occ(CC(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2cc1C(C)C 916927932 QAENAKJZMMFVGD-SFHVURJKSA-N 443.330 6.062 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(Cc3ccc(F)cc3)nc2C)cc1 916951567 ZCAHOXDQGUQJLV-QVKFZJNVSA-N 449.551 5.656 30 20 IKED N#C[C@H](C(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1)c1nc(-c2ccccc2)cs1 917025531 MSSAXYCHOOSMBL-PZJWPPBQSA-N 437.524 5.193 30 20 IKED COc1cccc(CO[C@H](C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 917043356 KCXXWWFNAJTOBK-MLGOLLRUSA-N 434.439 5.105 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ccc2s1 917045650 ZFDBNIYEOXPUKH-AWEZNQCLSA-N 436.842 5.808 30 20 IKED N#C[C@H](C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc2cc(Cl)ccc2s1 917047507 YVXSXEAQUJVGAX-QGZVFWFLSA-N 443.915 5.294 30 20 IKED COc1cc(C(=O)/C=C/c2c(C)nn(-c3ccc(Cl)cc3)c2C)cc(OC)c1OC 917143873 WEOGWQJBUOXCNP-ZHACJKMWSA-N 426.900 5.064 30 20 IKED CC(C)Oc1cccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)c1 921258252 BVCXZMIZSKBRQZ-UHFFFAOYSA-N 437.352 5.122 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccncc3C(F)(F)F)cc2)CCC1 1788785744 AMSIAGKTURYJAJ-UHFFFAOYSA-N 443.469 5.042 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)o4)cc3)CCC2)cc1 1788880928 QJLPKLJENGMVNK-UHFFFAOYSA-N 433.895 5.061 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cn(C(C)C)cc3C(F)(F)F)CCC2)cc1 1792264439 VCTCNIPJBYDDFG-UHFFFAOYSA-N 445.485 5.249 30 20 IKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccc(Cl)cc2)o1 1796964013 PRDOGBWYJKZHQK-BCDXTJNWSA-N 448.897 5.063 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@H]3C[C@H]3c3ccc(F)cc3)C2)CC1 1805291775 PNVITJBWITZXLP-GOTSBHOMSA-N 440.603 5.153 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H](C)c2ccccc2)[nH]n1 1814830074 OAPKHBJTUDFCKM-AUSIDOKSSA-N 434.584 5.364 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(C)ccc3[nH]2)n[nH]1 1818565525 RZAWESZIUCENLE-JOCHJYFZSA-N 447.583 5.498 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(C(C)(C)C)c2)CC1 1824140239 YEVQDARJWSRSDV-HSZRJFAPSA-N 439.644 5.314 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3ncccc3c2)CC1 1828033867 YWOGPDYZTZGNKG-RUZDIDTESA-N 447.623 5.461 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-c4ccccc4)cc3)C2)c1 1846875275 BZBIDYOEIKUEFL-OAQYLSRUSA-N 449.554 5.111 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(F)c(F)c1)[n+]1ccccc1CC 10174297 BRVVGJGAQDMOMV-UHFFFAOYSA-O 425.524 5.428 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c(C)c1)=C(/S)Nc1ccc(F)c(Cl)c1 10757035 UNGPRBGDTKIZDY-UHFFFAOYSA-O 441.979 5.997 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)sc1C)=C(/S)Nc1cccc(Cl)c1C 11259029 KATIXIDZHOYLGV-UHFFFAOYSA-O 444.045 6.228 30 20 IKED Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c2)cc1 25438862 VSWQMXKIYGGYOJ-UHFFFAOYSA-N 447.560 5.158 30 20 IKED C=CCn1c(SCc2ncc(-c3ccc(OC)cc3)o2)nnc1-c1ccc(Cl)cc1 65279567 MXCQTFNUSJWLJC-UHFFFAOYSA-N 438.940 5.740 30 20 IKED Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1-n1cncn1 303980399 XGSBJTLEKPBDFK-NRFANRHFSA-N 427.895 5.137 30 20 IKED Cc1cc(C)cc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 410401025 UTCPEBWYCRAAMQ-IBGZPJMESA-N 427.504 5.092 30 20 IKED COc1cc(-c2nnc(S[C@@H]3CC[C@H](C#N)C3)n2C2CCCCC2)cc(OC)c1OC 430136985 VCHFNYZIMIUABU-MAUKXSAKSA-N 442.585 5.260 30 20 IKED COc1ccc2[nH]cc(C3=CCN(C(=O)c4sc5ccc(C#N)cc5c4C)CC3)c2c1 432002209 UNVKFVFPYPPYRH-UHFFFAOYSA-N 427.529 5.501 30 20 IKED CC1(C)CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)[C@@H]1c1cccnc1 432772286 SFNLNXWPDYFWTA-JOCHJYFZSA-N 432.911 6.014 30 20 IKED CCCc1c(NC(=O)N[C@@H](c2cc(F)ccc2F)C(F)F)cnn1-c1cccc(C#N)c1 433657729 XDNLTRDFFAIEEP-FQEVSTJZSA-N 445.420 5.103 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)N1CC[C@@H](CC(F)(F)F)C1 434336438 YETZJMKAMVWYMQ-GXFFZTMASA-N 436.318 5.683 30 20 IKED C[C@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)[C@H]1c1ccc(C(F)(F)F)cc1 435135789 UWEQGFJPZWCQAG-GAJHUEQPSA-N 439.485 5.461 30 20 IKED C[C@@H]1COCC[C@@H]1C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 436030222 BLDZZOPHVRNVJI-JCOFBHIZSA-N 437.302 5.116 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)cc1 437400358 KMCGVUBFAZNWGT-INIZCTEOSA-N 431.395 5.536 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)NC2(c3noc([C@@H]4CCCO4)n3)CCCCCC2)cc1 437405355 PQDLBCSKNLRJQZ-IBGZPJMESA-N 437.544 5.093 30 20 IKED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 438015976 UNFQRAHTBNYZCD-DYESRHJHSA-N 434.367 5.081 30 20 IKED CN(C)C(=O)c1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)ccc1F 438441411 YILTYCWJGGUCFX-UHFFFAOYSA-N 437.858 5.097 30 20 IKED N#Cc1ccc(NC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1C(F)(F)F 438635062 KBHIFZSYOSWMIU-UHFFFAOYSA-N 436.865 5.017 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)cc1F 438663863 FMDAWPMWNRYWMH-KRWDZBQOSA-N 448.473 5.277 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(F)(c2cccc(Cl)c2)CC1 439504038 UAGDGFIBPWZLRN-MRXNPFEDSA-N 431.964 6.084 30 20 IKED Cc1cccc(NC(=O)CSCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 440663197 NBZXEHNZCCILHR-UHFFFAOYSA-N 449.507 5.109 30 20 IKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccccc1 441570685 USSSZCPNXARODA-JOCHJYFZSA-N 445.494 5.332 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F 463109622 ZHGLCQHATWHCIB-UHFFFAOYSA-N 446.482 5.430 30 20 IKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)c1nc(Cc2ccccc2)no1 463926253 PAURIHMSCUKDNM-CQSZACIVSA-N 432.471 5.858 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)o1 464405430 LAGWHGSFRTYSNU-KRWDZBQOSA-N 436.393 5.345 30 20 IKED COc1cc(CN[C@@H](C)c2cn(C(C)(C)C)nc2C)ccc1OCc1cccc(C#N)c1 464613735 CUNPXVSLUUUZSZ-SFHVURJKSA-N 432.568 5.257 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)ccc21 464951747 KOFROVPCXQYGLE-AZUAARDMSA-N 440.469 5.548 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 464993778 HSJJNXXAXZCSLA-UHFFFAOYSA-N 437.499 5.214 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Nc2cccc(NC(=O)c3cccs3)c2)c1 467418588 NUXODZSJMQQIAX-IBGZPJMESA-N 446.576 5.365 30 20 IKED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Br)cc1F 469175942 ZVDVXLDXPIDDKK-CQSZACIVSA-N 430.321 5.344 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 469903533 BGUYLXLSGVBKPW-VWLOTQADSA-N 443.595 5.249 30 20 IKED Cc1ccc(C(F)(F)F)cc1NC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 470239430 YTXHHMMYEKYPOI-UHFFFAOYSA-N 432.299 5.005 30 20 IKED COCCOc1ccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c(Cl)c1 471725931 MLHBDBYMWRCXGV-UHFFFAOYSA-N 438.936 5.316 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2c(c1)nc(C)n2Cc1ccsc1 472465583 SLMUTRPKRQFKCG-UHFFFAOYSA-N 426.545 5.155 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2csc(-c3cc(Br)cs3)n2)n1 474440616 ZPKVTCYYBZPXHS-SNVBAGLBSA-N 438.397 5.704 30 20 IKED CC(C)(C)n1ncc(C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)c1C(F)(F)F 477629533 CPVYPOTVXCOSEG-UHFFFAOYSA-N 445.310 5.529 30 20 IKED Cc1nc(NC(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)sc1SCC#N 480049031 DLOOBMVYDRDVIU-VQTJNVASSA-N 435.574 5.388 30 20 IKED C=C(C)[C@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccc(F)c(F)c1 480282675 MFWRVFVIQKKSFD-FQEVSTJZSA-N 445.853 5.902 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F 481286466 YJVZEFZXRAELIP-UHFFFAOYSA-N 440.878 5.826 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccccc3NC(=O)c3ccccc3)c2)cc1 482928221 DGPCTUWITDGMKX-UHFFFAOYSA-N 433.467 5.855 30 20 IKED N#C[C@@H](C(=O)c1ccc(COc2ccc(Br)cc2)o1)c1nccc2ccccc12 483191253 DWUWJXUWCDEWKW-HXUWFJFHSA-N 447.288 5.659 30 20 IKED C[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 484595165 CKSVHRUUPDIOBK-ZDUSSCGKSA-N 443.450 5.121 30 20 IKED COC1CCC(N(C)C(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)CC1 486723458 LADBYBFLKBDRAN-UHFFFAOYSA-N 441.597 5.055 30 20 IKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 487391242 XTZNTWFHBJPEQB-UHFFFAOYSA-N 438.578 5.212 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(Oc3ccccc3)cc2)nnc1-c1cnccn1 488912864 OISYQMDMWQLQQH-KRWDZBQOSA-N 443.532 5.077 30 20 IKED O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 500247454 BPVNPJAIEKZEBR-UHFFFAOYSA-N 440.271 5.336 30 20 IKED C=CCc1cc(CNCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc(OC)c1O 500291236 OZSJPQSJAYTPCA-UHFFFAOYSA-N 439.559 5.331 30 20 IKED CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 503297674 YLDDRDMHWZFMPH-IIBYNOLFSA-N 444.000 5.528 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H](c2ccccc2F)C1 504059535 UTFUJFSPRNMFFK-OAQYLSRUSA-N 429.495 5.606 30 20 IKED CC[C@@H](C)n1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)nnc1-c1ccccc1 504321554 OXJMRQFYOQCZOF-MOPGFXCFSA-N 433.581 5.344 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3cccnc3SCc3ccc(F)cc3)CC2)cc1 504712161 NDNSINUUXUHWRJ-UHFFFAOYSA-N 447.535 5.068 30 20 IKED N#C[C@H](NC(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1cccc(Cl)c1Cl 505345870 UYIQRKVQUQSJGR-KRWDZBQOSA-N 434.323 5.103 30 20 IKED C=CCN(C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1)c1nc2c(s1)CCCC2 506575504 GZKPDJHEVUTLHC-UHFFFAOYSA-N 431.561 5.415 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)cc1 508146686 VXGJIXQUENERGA-HNNXBMFYSA-N 433.335 5.214 30 20 IKED CCN(C(=O)Cn1c(COc2ccccc2)nc2ccccc21)[C@@H](C)c1ccc(C#N)cc1 509565325 WDQOVEVFZRHMMU-FQEVSTJZSA-N 438.531 5.097 30 20 IKED CCCOc1nc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cc2ccccc12 513288616 FBTOMWHVIOACPN-UHFFFAOYSA-N 427.426 5.100 30 20 IKED COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(OC)c1OC 514471847 COEXEPUZTOEMTH-ZDUSSCGKSA-N 428.554 5.049 30 20 IKED CC(C)c1noc2ncc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cc12 514574899 GURARGLYVDLAJN-HXUWFJFHSA-N 430.895 5.907 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C 515873541 UFRIEDCWHZGUHY-UHFFFAOYSA-N 446.448 5.377 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N1CCC[C@@H]1c1cccs1 517857927 YGLOQMIWOBKDNW-OAQYLSRUSA-N 431.517 5.023 30 20 IKED CCC(CC)[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccs1 518252913 LECMMHGYJGTDOR-QRWLVFNGSA-N 429.611 5.375 30 20 IKED COc1ccc(CNC(C)(C)Cc2ccc(Br)cc2)cc1OCCCC#N 518275320 OWVFMOXGXCYVAZ-UHFFFAOYSA-N 431.374 5.251 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)Cc3csc(-c4ccc(Cl)s4)n3)c2C#N)C1 518487716 KADKPRPLDDYOOD-JTQLQIEISA-N 434.011 5.764 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1 518568971 OLOKXUMGUCAGNE-QHCPKHFHSA-N 445.906 5.210 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NC3CCN(Cc4ccc(F)cc4)CC3)c2)cc1 519195592 JXKKCYVYJVHXAF-UHFFFAOYSA-N 444.510 5.276 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](c1ccccc1)c1ccco1 519200277 BKRUJKYORRHSFH-SANMLTNESA-N 437.499 5.950 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccccc2OCc2cscn2)cc1 521599944 YQNYWXOMXZFHLC-UHFFFAOYSA-N 445.475 5.777 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c1 522573810 FKFCZNZEMATNFK-OAQYLSRUSA-N 435.911 5.164 30 20 IKED C[C@H](Sc1ncccc1Br)C(=O)Nc1sc2c(c1C#N)CCCCC2 522901899 MFRZKTWSIGAYJD-NSHDSACASA-N 436.400 5.165 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(Sc2ccccc2Cl)nn1 525314005 AZQBAHBFFWOQCU-UHFFFAOYSA-N 425.941 5.118 30 20 IKED N#CC1(NC(=O)CNc2cc(C(F)(F)F)ccc2SCC(F)(F)F)CCCCC1 525357868 DCJOAMZXVLAZEH-UHFFFAOYSA-N 439.425 5.114 30 20 IKED C[C@@]1(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCCN(C(=O)c2ccccc2)C1 525650941 HEOGRNQSJFGLBF-HHHXNRCGSA-N 439.515 5.232 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1 534476493 VFCDGKDBYQGCPM-GOSISDBHSA-N 438.491 5.122 30 20 IKED Fc1ccc([C@H]2C[C@H]2c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)no2)cc1 540512122 BZKGSFMPGHONKP-CHWSQXEVSA-N 447.310 5.502 30 20 IKED C[C@@H](NC(=O)c1ccc(CSc2nc[nH]n2)cc1)c1ccc(-c2cccc(C#N)c2)cc1 541132510 XIYWPQPUEVZMNR-QGZVFWFLSA-N 439.544 5.127 30 20 IKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)ccc1Cl 542536210 CYAAQJJSUSTOHD-GOSISDBHSA-N 436.726 5.152 30 20 IKED CC(C)c1c(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)cnn1-c1ccc(Cl)cc1 542930139 LSJZLDIXDJQMBD-UHFFFAOYSA-N 448.889 5.098 30 20 IKED C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 543565254 YEWGAWIFVUKXDA-UWSIMGETSA-N 430.939 6.005 30 20 IKED CCO[C@H](c1noc(C2(c3ccc(C#N)cc3)CC2)n1)c1ccc(F)cc1C(F)(F)F 571687100 NIUWHXDOYIHLTP-SFHVURJKSA-N 431.389 5.305 30 20 IKED CN(CCCN(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)Cc1ccco1 577731168 GWLQZHHDODJXBA-UHFFFAOYSA-N 436.487 5.068 30 20 IKED Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)[nH]c2c1 584262217 PYHHTLWDIOEWPI-HSZRJFAPSA-N 438.491 5.299 30 20 IKED N#Cc1ccc(C[C@@H](C#N)c2nc(Cc3nc4cc(C(F)(F)F)ccc4s3)no2)cc1 589084607 PUKPNSDIVYHXSV-AWEZNQCLSA-N 439.422 5.010 30 20 IKED C=CCOc1ccc(CNC2(c3cccc(Br)c3)CCOCC2)cc1Cl 608056536 XTQNDYVYFAIECL-UHFFFAOYSA-N 436.777 5.463 30 20 IKED N#C[C@@H](NC(=O)c1ccc(Br)s1)c1ccc(OCc2ccccc2)cc1 609028544 CHDJBKXRZWHYFT-QGZVFWFLSA-N 427.323 5.084 30 20 IKED N#Cc1ccc(CNC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)c(F)c1 609228976 MDYLWWKDBQYMRE-UHFFFAOYSA-N 442.277 5.186 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H](Cc4ccccc4)C3)c2)cc1 609281841 XNDZLLYXYLWUTA-DEOSSOPVSA-N 439.559 5.818 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 609378414 GYWIUGWVKQKUTO-UHFFFAOYSA-N 441.456 5.350 30 20 IKED N#CCn1c(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)cc2ccccc21 609622965 XXPVXHQIUCJCJW-UHFFFAOYSA-N 436.393 5.623 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc1 609645501 LCCSYUKBEZRTNZ-UHFFFAOYSA-N 435.936 5.336 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1 609722773 FHZBXFCYGXQQSX-UHFFFAOYSA-N 445.950 5.398 30 20 IKED CCS(=O)(=O)c1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 609722873 MLSTXPYMLCBZGO-UHFFFAOYSA-N 440.908 5.050 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)cc1 609826841 FOHNGORKGKKLET-FDDCHVKYSA-N 437.540 5.322 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(Oc2cnccn2)c1 609907449 XAORKADBJUHOKU-UHFFFAOYSA-N 444.438 5.546 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 610094557 PNRYKTVICOCPNR-HSZRJFAPSA-N 429.476 5.471 30 20 IKED COc1ccc(OC)c(-c2csc(NC(=O)CSc3ccc(C#N)cc3Cl)n2)c1 611102541 YVPLUYRJUPASPY-UHFFFAOYSA-N 445.953 5.083 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCCc4cn(C5CCCC5)nc43)cn2)cc1 611556189 BSDCAHMUUIWHQN-JOCHJYFZSA-N 442.523 5.256 30 20 IKED C=CCc1ccc(OCC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)c(OC)c1 611974239 OQOAKNFALMCGHX-UHFFFAOYSA-N 430.504 5.002 30 20 IKED O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 674618008 GXVGYVIHIDTUBJ-WRWGMCAJSA-N 442.366 5.564 30 20 IKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3ccc4ccccc4n3)cc(-c3cccs3)nc21 679090380 QXCQEWGNPWXLGN-GOSISDBHSA-N 437.528 5.779 30 20 IKED O=C(Cc1nc(-c2ccc(F)cc2)cs1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 681245975 OKNMVFIIOJALGY-RYUDHWBXSA-N 440.384 5.081 30 20 IKED CC(C)(c1ccc(NC(=O)N2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1)C(F)(F)F 683234418 FKAYQDQWJQSHEY-TXEJJXNPSA-N 436.318 5.731 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 684363153 MNOAOMYBMSKUFL-DSJMHWKBSA-N 440.403 5.671 30 20 IKED C=CCn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CC=C(c2cccc(OC)c2)CC1 685558528 MUAODJAJMIFPGR-LOSJGSFVSA-N 442.563 5.012 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN(C)C[C@@H]2OCCc3ccccc32)c1=S 725782366 KEPVEUPDCYSTMR-NRFANRHFSA-N 441.000 5.124 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H](C)Sc1ccc(Br)cc1 726754291 CVXMNEGHEXDVDP-HNNXBMFYSA-N 440.366 5.065 30 20 IKED C[C@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1cccc(C#N)c1 727639664 PEJNOALXHFAAAG-AWEZNQCLSA-N 447.413 5.006 30 20 IKED Cc1sc2nc(/C(Cl)=C/c3ccc(O[C@H](C)C#N)cc3)nc(O)c2c1-c1ccccc1 727744097 JTKZXELYPMOSDM-VCRXTVNUSA-N 447.947 6.400 30 20 IKED Cc1nc(C)c(-c2csc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)n2)s1 727990246 PUUNGDIDJKSKRE-UHFFFAOYSA-N 436.518 5.179 30 20 IKED N#C[C@H](C(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(=O)Nc1ccc(SC(F)F)cc1 728763644 VLASRXDGAZTGNS-CVEARBPZSA-N 442.409 5.385 30 20 IKED CCc1cc(NN=C(C)c2ccc(SC(F)F)c(OC)c2)nc(-c2ccccn2)n1 730463827 SPFIWBUQKRVILZ-UHFFFAOYSA-N 429.496 5.260 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1 730687791 WMRHWILEMDKTEA-MRXNPFEDSA-N 435.455 5.168 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)cc1Cl 730688137 SAIQGRWTAMBOPO-QLFBSQMISA-N 437.710 5.106 30 20 IKED COc1ccccc1C[C@@H](C)CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 730690311 SLOOOBCHYBEIIV-CJNGLKHVSA-N 432.467 5.769 30 20 IKED CC(=O)C1=C(c2ccc(C)cc2)N(Cc2ccccc2)C(=O)N[C@H]1c1csc(C2CC2)n1 731422231 YYVJUCIPUZMHAZ-QHCPKHFHSA-N 443.572 5.596 30 20 IKED CC(C)(C)OC(=O)NCc1nc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cs1 732733729 JJZFMSPLYNYFBC-UHFFFAOYSA-N 440.550 5.020 30 20 IKED FC(F)(F)c1cc(NN=Cc2cnc(-c3ccccc3)s2)nc(-c2cccnc2)n1 733079441 BQLFKUXRXHEISB-UHFFFAOYSA-N 426.427 5.127 30 20 IKED C#CCN(C(=S)Nc1cccc(Cl)c1)[C@@H]1CCOc2ccc(Br)cc21 733085177 BCDNBWLARRGHKF-QGZVFWFLSA-N 435.774 5.258 30 20 IKED C#CCN(C(=O)N[C@@H](C)c1ccc(C)s1)[C@H]1CCOc2ccc(Br)cc21 733644664 DKGNIBBHDYWUQA-YOEHRIQHSA-N 433.371 5.049 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)ccc1OC 733656958 RCODSMKZZSUONX-OFNKIYASSA-N 446.551 5.294 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)c1 733843128 AMMHBSFWUIZOAN-JOCHJYFZSA-N 431.540 5.057 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2SCc2ccccc2)c1 733843217 LMIHGHUFAMIFBY-OAQYLSRUSA-N 431.561 5.982 30 20 IKED N#Cc1ccsc1NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 735420497 GKYTTZBKLNHBMV-UHFFFAOYSA-N 431.304 5.823 30 20 IKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC[C@@H]2CN2CCCC2)c1=S 738102807 AFQLRNXHPVWHFC-JOCHJYFZSA-N 439.673 5.082 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=S)N[C@@H]3CCOc4ccccc43)cc2Cl)cc1 741479409 LDGGSKDLZKHAOK-HXUWFJFHSA-N 435.936 5.814 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)o1 742654267 SNLJPUPANAQASG-UHFFFAOYSA-N 433.464 5.221 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccc(Br)s1 744034568 BUPCGSCANURUCA-WCBMZHEXSA-N 425.760 5.754 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1 744036049 VEKVQLRCDYHHFH-CWRNSKLLSA-N 449.309 6.375 30 20 IKED CC(C)N(CCC#N)Cn1nc(-c2cc(-c3ccccn3)nc3ccccc23)oc1=S 745437246 BICVBVCZPMUCBY-UHFFFAOYSA-N 430.537 5.064 30 20 IKED CC(=O)N(c1nc(C=NNc2ccc(C(F)(F)F)cc2)cs1)c1ccc(F)cc1F 746576687 PNRNXPYUWBSFNW-UHFFFAOYSA-N 440.397 5.571 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1-c1noc(C)n1 749333289 XQOQIGJUHCCGCG-UHFFFAOYSA-N 445.292 5.167 30 20 IKED O=C1C[C@H](C(=O)O[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c2ccc(F)cc2N1 750213052 FSMTUQNCNUXJDZ-LRDDRELGSA-N 435.295 5.117 30 20 IKED O=C(/C=C/c1nc(-c2cc(Cl)ccc2Cl)cs1)c1cccc(N2CCOC2=O)c1 753900271 LYOANIIDWMGMLH-VOTSOKGWSA-N 445.327 5.970 30 20 IKED COc1ccc(/C=C(/C)C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1F 755602658 OXGPWVRVPJZUJW-PZSQYBTKSA-N 444.462 5.377 30 20 IKED C#CC[C@H](NC(=O)c1oc2ccccc2c1CSc1nnc(C)s1)c1ccccc1 758005006 FEIDDCZCKBVESM-IBGZPJMESA-N 433.558 5.379 30 20 IKED N#C[C@H](C(=O)/C=C\c1ccc2ccc(Cl)cc2n1)C(=O)Nc1cc(Cl)cc(Cl)c1 759209207 ORFUNYWPFZIUNH-OOFWQKGWSA-N 444.705 5.556 30 20 IKED N#Cc1cc(NC(=O)c2sc(-c3ccccc3)nc2C(F)F)c(Cl)c([N+](=O)[O-])c1 764313379 WSFRCQIWXDEMCD-UHFFFAOYSA-N 434.811 5.433 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CC3(CCCC3)c3cccc(F)c32)ccc1OC 764426939 YYCWZIJZORQAOC-GOSISDBHSA-N 437.515 5.057 30 20 IKED CCCCCCC[S@@](=O)Cc1csc(-c2cc(Br)ccc2OC)n1 764439469 VKZXLTZYXFPRHU-XMMPIXPASA-N 430.433 5.800 30 20 IKED C=CCn1c(SC[C@H](O)c2ccc(OC(F)(F)F)cc2)nnc1-c1ccccc1C 764703671 FQQMBQOFFNRJNV-SFHVURJKSA-N 435.471 5.164 30 20 IKED C[C@H](NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(N2CCOCC2)c(F)c1 764773363 GZQYKCZWPKQKQU-QEJZJMRPSA-N 442.419 5.222 30 20 IKED COC1CCN(c2ccc(NCc3ccc(N(C)CCC#N)cc3)cc2C(F)(F)F)CC1 770565843 RJWWBCOKBOFZOE-UHFFFAOYSA-N 446.517 5.283 30 20 IKED N#Cc1ccccc1-c1ccc(COC(=O)C2(OCc3ccccc3)CCOCC2)cc1 772416551 NKTDBSHTOOHRFT-UHFFFAOYSA-N 427.500 5.034 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cc(Br)c(C)cc2C)ccc1OC 776998818 GYBJWZCHOLVOAO-MRXNPFEDSA-N 446.345 5.077 30 20 IKED Sc1nnc(CSc2ccccc2)n1N=Cc1cc(Cl)ccc1Br 782246250 WFSOMUFAPJESBD-UHFFFAOYSA-N 439.791 5.157 30 20 IKED CCCc1c(NC(=S)Nc2ccc(OC(F)F)cc2)cnn1-c1cccc(C#N)c1 783953759 ZLJUIBXYVOSRGQ-UHFFFAOYSA-N 427.480 5.107 30 20 IKED Cc1nc(SC(F)F)sc1CC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 793538970 GNUXVUZLPYXYHI-UHFFFAOYSA-N 435.546 5.225 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)C(C)(C)c2csc(-c3cccs3)n2)cc1C#N 799971900 BCEYORWCJHARPB-UHFFFAOYSA-N 440.550 5.228 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1Oc1ccncc1 801499819 HAXNHQASOKHGQN-KRWDZBQOSA-N 447.516 5.064 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 802040037 DVKRZCMLKCZREB-CABCVRRESA-N 446.372 5.378 30 20 IKED C[C@@H](NC(=O)[C@@H](C#N)C(=O)c1coc(C2CCCCC2)n1)c1ccc(Cl)cc1Cl 802218799 KWDCTOQNGKEDPX-WBMJQRKESA-N 434.323 5.229 30 20 IKED N#C[C@H](C(=O)NCc1cccc(Cl)c1)C(=O)c1ccc(-c2cccc3cccnc23)cc1 802797109 OVBHYORLTUMPIX-QHCPKHFHSA-N 439.902 5.194 30 20 IKED CC1(C(=O)N2CCC(c3ccc(F)cc3)CC2)CCN(c2ccc(Cl)cc2C#N)CC1 804435400 NFUALXWUOWHITF-UHFFFAOYSA-N 439.962 5.363 30 20 IKED Cc1occc1-c1nnc(SCC(=O)O)n1N=Cc1sc2c(Cl)cccc2c1C 814767933 AMHPTJAGOGEDEN-UHFFFAOYSA-N 446.941 5.082 30 20 IKED CC[C@@H](C#N)Oc1cccc(CN[C@H](c2ccc(F)cc2)c2ccc(Br)o2)c1 815593647 SSMDZFGDYQWCFJ-PGRDOPGGSA-N 443.316 5.741 30 20 IKED O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@@H](c1nccs1)C(F)(F)F 818321240 FASHYDWIBHZKKG-ISUDXETCSA-N 448.310 5.614 30 20 IKED COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)[C@H](C#N)c5nc6ccccc6n5C)(C4)C2)C3)cc1 915100507 SUMYZGAGOAYLQF-VREZJZECSA-N 439.559 5.296 30 20 IKED Cc1nc(NN=Cc2cn(CCC#N)nc2-c2ccccc2)c2c3c(sc2n1)CCCC3 916311326 BNRXDZJWOFHPSW-UHFFFAOYSA-N 441.564 5.102 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccccc1Cl 916905000 HOJAKKOHSMTRFU-OAHLLOKOSA-N 430.316 5.007 30 20 IKED N#C[C@H](C(=O)CSc1cccc2cccc(Cl)c12)C(=O)Nc1ccccc1Cl 916908251 GJUMFAHKZMGYLF-CQSZACIVSA-N 429.328 5.586 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)cc1 916915247 HQSXMZLHXWXBOT-DVECYGJZSA-N 441.531 5.525 30 20 IKED CCOc1cc2c(cc1/C=C\C(=O)[C@H](C#N)c1nc(-c3ccccc3)cs1)O[C@H](C)C2 917026007 VGDPXWWVKDCIJQ-VZCCYWAUSA-N 430.529 5.422 30 20 IKED N#C[C@H](C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1nc2cc(Cl)ccc2s1 917043469 IUTDYKLQYIVIQH-DIFFPNOSSA-N 448.356 5.282 30 20 IKED CCCc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917043847 PMYLFEFYCJOODU-KRWDZBQOSA-N 444.478 6.107 30 20 IKED O=C(COc1ccc(C2SCCCS2)cc1)N1CCCSC1=Nc1ccccc1 921234172 RRIDFAYVWSSSAB-UHFFFAOYSA-N 444.647 5.587 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccc(-c3cc(O)n[nH]3)cc2)cc1Cl 1136191041 XMIKGWBVDPOAIR-UHFFFAOYSA-N 430.851 5.352 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)nc3)cc2)CCC1 1787428319 NJBMIHQTGAFSEN-HNNXBMFYSA-N 431.458 5.060 30 20 IKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc5cccc(F)c5s4)CCC3)cc2)CC1 1787880469 QVLCFJKAKZVFCB-UHFFFAOYSA-N 433.508 5.092 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3sccc3OCC)CCC2)cc1 1791296264 PAZHBXVMBYBBDI-UHFFFAOYSA-N 434.508 5.106 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cccc4cccnc34)CCC2)cc1)C(F)(F)F 1791303193 QUYXNTGEAXSHQL-UHFFFAOYSA-N 439.437 5.101 30 20 IKED C[C@@H](C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C#N)cc3)CCC2)cc1)c1cccs1 1791815775 WJNPPIHRTGQDDK-GOSISDBHSA-N 443.572 5.100 30 20 IKED CC(C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@H](C)C#N)c1)C2)c1ccccc1 1793209181 KMFWQBGCCPMEGH-OMJUENHASA-N 443.591 5.005 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(CCC)cc2)[C@@H]1c1cccnc1 1812026574 MNWOXMUQZNGQSO-FTJBHMTQSA-N 445.607 5.122 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3[nH]ccc3s2)[nH]n1 1814443286 RFSNQOMSIRNMPW-KRWDZBQOSA-N 439.585 5.251 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2CCCCC2)n[nH]1 1816705348 GRSQLFWNJZEVOP-NRFANRHFSA-N 442.680 5.033 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](c3ccccc3)[C@@H](C)CC)n[nH]2)C1 1816846986 FNWULJHCXLPSRW-ANJVHQHFSA-N 434.584 5.198 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(Cl)cc2)n[nH]1 1816933459 KWXBJNXJRBWSAO-FQEVSTJZSA-N 442.991 5.290 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3occc3c2)n[nH]1 1818703053 RNCSNXCCOGREJA-NRFANRHFSA-N 432.524 5.230 30 20 IKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/C3CCCCC3)[nH]n2)c1 1821325912 VPHAOMFBYTYYDC-BREAQWACSA-N 445.567 5.032 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)s2)CC1 1825853881 GBELFYUBXKWKNB-OALUTQOASA-N 435.033 5.403 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cnccc3c2)CC1 1828205084 SKTNBOXKIGJXSD-IZZNHLLZSA-N 445.607 5.237 30 20 IKED C=CCNc1nnc(S[C@@H](C)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)s1 11526734 PKPVJJGHBXDCHZ-VIFPVBQESA-N 433.609 5.016 30 20 IKED C=CCNc1nc(C(=O)O[C@H](C)C(=O)N2c3ccccc3Sc3ccccc32)cs1 22371566 AHNJMHQFXLHXOO-CQSZACIVSA-N 437.546 5.116 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)nnc1-c1ccoc1C 23519377 VBTKRRVLLNRSSE-WMZOPIPTSA-N 446.576 5.544 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)nnc1-c1ccc(F)cc1 24014758 QDPGTFXIYMUNPB-LSDHHAIUSA-N 444.963 5.282 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2OC(C)C)nnc1-c1ccc(Cl)cc1 31775039 ZJPNBGZALIPOFA-UHFFFAOYSA-N 442.972 5.303 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cc(F)ccc3Br)c2)c1 32289267 YQDJQXWDZDGCFG-UHFFFAOYSA-N 425.257 5.291 30 20 IKED Cc1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)[nH]c2c1C(=O)CC(C)(C)C2 32289563 YRGUFYKTZODARW-UHFFFAOYSA-N 427.504 5.181 30 20 IKED C=CCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)C2)nnc1-c1ccc(Cl)cc1Cl 33182500 JCUZFHBEQXYITI-UKRRQHHQSA-N 439.412 5.225 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 63400650 GTMAQENMNBQFEK-UHFFFAOYSA-N 447.542 5.309 30 20 IKED O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(N2CCCC2=O)cc1 208762369 SQKRVGBQBXZOPY-GDNBJRDFSA-N 444.918 5.615 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 255951493 HPECQZDICJJCER-VWLOTQADSA-N 441.600 5.417 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]1c1nc2ccccc2s1 303351561 FFPJIFGTPPRMPR-VQIMIIECSA-N 436.606 5.466 30 20 IKED COc1ccc(-c2nc(Cc3noc(-c4sc5ccc(C#N)cc5c4C)n3)co2)cc1 426389616 FNGDTQMVMRVTDM-UHFFFAOYSA-N 428.473 5.386 30 20 IKED CCOc1nc(C(F)(F)F)ccc1C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 429104500 FQFIQJXQLJUTMX-HNNXBMFYSA-N 447.438 5.121 30 20 IKED C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)N[C@H](CCCC#N)c2ccccc2)C1 432707098 WWFDSMGRVOJSBC-TXTKFYIRSA-N 432.568 5.361 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)c1ccccc1 432764222 TVXAKPMWQDEOKS-JOCHJYFZSA-N 434.927 5.871 30 20 IKED CCCOc1ccc(NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(C)c1 437240259 LWHBKGGQRNTNNS-UHFFFAOYSA-N 429.476 5.025 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1cccc([C@H](C)OC)c1)c1ccc(C(F)(F)F)cc1 442058173 NSTFJEYMPDBQPE-MGPUTAFESA-N 434.458 5.175 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 445262043 MXAAIORWEPPRKL-UHFFFAOYSA-N 446.466 5.301 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3ncccc3OCc3cccc(Cl)c3)on2)c1 447520924 VBVZAWPFFKWVKQ-UHFFFAOYSA-N 430.851 5.093 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)C1CCN(CC(F)(F)F)CC1 460178081 YHNIBWPMDZKREH-UHFFFAOYSA-N 435.877 5.019 30 20 IKED COCC1(C#N)CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CC(C)C)CC1 460610701 HBUJJVIXCGJIDE-UHFFFAOYSA-N 444.004 5.226 30 20 IKED C[C@@H](C(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2)c1cccc(C#N)c1 463088783 UHFVPBIGVYULFJ-OAHLLOKOSA-N 426.545 5.784 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 464411380 ZQYHHLZMSOBAGK-KRWDZBQOSA-N 432.833 5.106 30 20 IKED N#C[C@H](C(=O)c1ccccc1C(=O)c1ccc(F)c(F)c1)c1cc(C(F)(F)F)ccn1 464467534 KQEINEVDVOVXSN-INIZCTEOSA-N 430.332 5.100 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1C 465459562 NBAWQXXQPJLUHH-QGZVFWFLSA-N 443.576 5.585 30 20 IKED COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 466059656 SUOVDARIAGZNHP-BDYUSTAISA-N 441.531 5.192 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@@H](c1ccc(Cl)cc1)C1CCCC1 466505776 QVMYFLVQRJRTJW-XMMPIXPASA-N 449.986 5.194 30 20 IKED N#Cc1c(NC(=O)c2ccc(Oc3ccc(Cl)cc3Cl)cc2)nc2n1CCS2 467093401 PQXLOTDXXYHOIT-UHFFFAOYSA-N 431.304 5.212 30 20 IKED C[C@@H]1C[C@H](N(C)C(=O)c2cn(CCCC#N)c3ccccc23)CCN1Cc1ccccc1 469465939 CRNMFNPHBFIVGQ-FYYLOGMGSA-N 428.580 5.070 30 20 IKED C[C@H](O)C[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 469512686 VEOOKVXYMVYKQT-NSXLHWASSA-N 447.966 5.672 30 20 IKED N#C[C@]1(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)CCc2ccccc2C1 472287107 ORCHTVWPZBCJRO-QFIPXVFZSA-N 442.371 5.227 30 20 IKED CCOc1cccc2[nH]cc(CC(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c12 473581548 FRAVVEQLQKNXDS-UHFFFAOYSA-N 447.482 5.772 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 475583085 VPQDMNKKDGCNNI-VWNXMTODSA-N 442.003 5.385 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O 476791656 UCUXUCLQDVHSBS-UHFFFAOYSA-N 439.600 5.004 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H]1CCC[C@H]1c1ccccc1 477879829 OUJFYFFOEJOZND-ZCYQVOJMSA-N 439.515 5.050 30 20 IKED COc1ccc2ccccc2c1-c1cc(CNC(=O)Nc2ccc(C#N)c(Cl)c2)on1 481691843 VBZFUHSRTARMSF-UHFFFAOYSA-N 432.867 5.350 30 20 IKED C=CCn1c(SCCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1cccc(C)c1 488080130 AEPAEQAAQJRKHO-UHFFFAOYSA-N 446.498 5.579 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cc(Cl)ccc3OC)o2)cc1 489808024 MXOKCWQUNNJGAT-ZDUSSCGKSA-N 445.928 5.083 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccccc3)[C@@H](CO)C3CC3)cc2)cc1 490436115 RNZKGJDNRPYHEK-VWLOTQADSA-N 427.504 5.156 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)cc1Cl 494199404 VQIJPAQDOMETBX-KKLQWCBXSA-N 441.984 5.172 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)c1 503193473 VDMRPGFSSQCDJO-UHFFFAOYSA-N 449.898 5.314 30 20 IKED Cc1nc(NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)sc1SCC#N 504816263 BBXPDYOHJIEORS-UHFFFAOYSA-N 435.530 5.645 30 20 IKED CN(Cc1ccc(F)cc1F)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510022518 DMDAIGDLZFUOKR-HXUWFJFHSA-N 425.866 5.938 30 20 IKED N#Cc1cccc(F)c1CC(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 511150989 CVDVDPKOXPQVDP-UHFFFAOYSA-N 441.384 5.150 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H](c1cccc2ccccc12)C(F)(F)F 511770998 CMRUTTOXILHHQB-QHCPKHFHSA-N 439.437 5.240 30 20 IKED CCc1c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cnn1-c1ccc(F)cc1 515282508 SAEGSICYLYSTEA-UHFFFAOYSA-N 441.466 5.194 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)CC1 517665409 BZPLQGPEXFUZDN-TZWRJOPASA-N 428.454 5.187 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NCC3(c4ccc(F)cc4)CCOCC3)c2)cc1 517903087 AHRBWGKBNJXFHA-UHFFFAOYSA-N 445.494 5.360 30 20 IKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(F)cc1 518252825 HHKVFNNWXZKBOS-HSZRJFAPSA-N 445.494 5.332 30 20 IKED N#C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1cccc(Cl)c1Cl 518709303 RWZPYIBDUHEJTD-LBPRGKRZSA-N 442.780 5.755 30 20 IKED N#C[C@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1ccc(OCc2ccccc2)cc1 519131101 AUQPJQBSRQLPBA-GOTSBHOMSA-N 438.449 5.683 30 20 IKED CC(C)c1ccc(OCCC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 520692123 SZNARDAJAUGXDH-UHFFFAOYSA-N 438.578 5.233 30 20 IKED C=CCn1c(SCc2ccno2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 521039388 LRRUNUNCRSUDJQ-UHFFFAOYSA-N 439.544 5.935 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)nnn1-c1cccc2ncccc12 521316324 IVDPIKJGALJYSH-UHFFFAOYSA-N 446.470 5.040 30 20 IKED C=CCn1c(SCc2nnc(C)n2C)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 524445351 ZXLLNYIKUVPFHU-INIZCTEOSA-N 442.658 5.073 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)cc2F)c1 524457395 FYHWVZDAWXGFAC-UHFFFAOYSA-N 428.385 5.476 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(C(F)(F)F)cc3)n2)nnc1-c1ccccn1 533716757 CETPTBZHEUYEDZ-UHFFFAOYSA-N 443.454 5.492 30 20 IKED CCN(C(=O)c1ccc(CC#N)cc1)[C@@H](c1ccc(Br)cc1)c1cccnc1 534000566 PHNZPMNMTAZMQB-QFIPXVFZSA-N 434.337 5.162 30 20 IKED CC(C)N(CCc1nccs1)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 534886175 FJZFEHXGMIUAPF-UHFFFAOYSA-N 425.941 5.554 30 20 IKED COc1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1-c1ccccn1 535089367 NFJYTVDLOWPMPN-UHFFFAOYSA-N 436.471 5.377 30 20 IKED COc1cc(CN[C@H](C)c2ccc(-c3ccncc3)cc2)ccc1OCc1cccc(C#N)c1 540437471 AVXUXJBCVMCWHN-OAQYLSRUSA-N 449.554 6.059 30 20 IKED Cc1c([C@H](C)Nc2cccc(OCCCC#N)c2)nnn1-c1cccc(Br)c1 540728587 HXCJNXKAYBTNRV-HNNXBMFYSA-N 440.345 5.194 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccc(Cl)cc1)c1ccn(C)n1 547283161 ZRCLVYVKHBEGEZ-YCRPNKLZSA-N 439.972 5.236 30 20 IKED Cc1ccc(NC(=O)C(=O)N[C@@H](CCCC#N)c2ccccc2)cc1OCC1CCCCC1 556625807 RCEOJLHXLSABNZ-DEOSSOPVSA-N 447.579 5.444 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](c2ccsc2)C1 562755128 QXVAWSXSCQCHQZ-OXJNMPFZSA-N 444.988 5.287 30 20 IKED N#Cc1cccc(-c2nnc(COc3c(Cl)cc(Cl)cc3Br)o2)c1 565356730 ZDRGCWKLBJWTCT-UHFFFAOYSA-N 425.069 5.257 30 20 IKED Cc1sc(C2(NC(=O)[C@@H](C#N)CCc3ccccc3)CCC2)nc1-c1ccccc1F 566700401 BTYDWRRTKGIROB-LJQANCHMSA-N 433.552 5.526 30 20 IKED C=CCC[C@H](N[C@@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1ccc(C(F)(F)F)cc1 567223418 APQKMZMXKKHQDA-LEWJYISDSA-N 438.515 5.027 30 20 IKED C[C@@H](NC(=O)N(C)C[C@@H]1OCCc2ccccc21)c1ccc(-c2cccc(C#N)c2)cc1 571474744 FNLNYLHILONUDA-BCHFMIIMSA-N 425.532 5.242 30 20 IKED C=CCOc1c(Br)cc(CN[C@H](C)c2nccn2-c2ccccc2)cc1OC 579876684 NBUHYXQXBXVFNO-MRXNPFEDSA-N 442.357 5.059 30 20 IKED COc1cccc(C(NCc2ccc(C#N)cc2C(F)(F)F)c2cccc(OC)c2)c1 583665658 ICDGTUCRPZVBMQ-UHFFFAOYSA-N 426.438 5.473 30 20 IKED N#Cc1cccc(COc2cccc(/C=C(\CC(=O)O)c3nc4ccccc4s3)c2)c1 603748376 NFADPXWNJWXFCZ-UDWIEESQSA-N 426.497 5.762 30 20 IKED Cc1cc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c(C)n1CC(F)(F)F 604235569 SKEVQELAAAQVCF-UHFFFAOYSA-N 427.426 5.370 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)ccc21 604691185 LLKCIUNZNXSPAB-ZDUSSCGKSA-N 446.429 5.875 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnc(-c3ccccn3)s2)cc1Cl 609011294 NGNBSGPBYSTRMR-GOSISDBHSA-N 430.920 5.766 30 20 IKED Cc1cc(C)n2nc(C)c(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c2n1 609032165 SEWRFLOJFZAQEN-FQEVSTJZSA-N 429.911 5.216 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc(OC)c1OC 609061665 SPVQVKZERLNRJO-UHFFFAOYSA-N 442.515 5.444 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N(C)c1ccc(C#N)cc1F 609216867 QFWCAYYDWOSFED-UHFFFAOYSA-N 427.888 5.250 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nnc1-c1ccccc1 609369801 LPYALIABXWDTNT-KRWDZBQOSA-N 449.605 5.256 30 20 IKED C[C@@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 609387048 HORIIRMTFQAHRG-RBUKOAKNSA-N 431.561 6.170 30 20 IKED Cc1nn(-c2ccccc2)c2nc(C(=O)Nc3ccccc3S[C@H](C)CC#N)ccc12 609427482 CIRNMKFKYZFEJE-MRXNPFEDSA-N 427.533 5.376 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 609436643 QIRBOAQLWKRFSV-JHJVBQTASA-N 439.425 5.675 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C 609437249 GIACRJUJUREANO-QRWLVFNGSA-N 427.545 5.062 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 609439020 SJFKGTGYPOZCOE-IRXDYDNUSA-N 428.989 5.382 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 609683694 HHJJLQRFPPFYPG-WJOKGBTCSA-N 431.561 5.310 30 20 IKED COc1ccc(NC(=O)CCCCOc2cccc(C#N)c2)cc1NC(=O)C1CCCCC1 609697725 NTAQAYXMYIZGNY-UHFFFAOYSA-N 449.551 5.273 30 20 IKED COc1cc(CSc2nnc(-c3cccc(C)c3)o2)ccc1OCc1cccc(C#N)c1 609721996 PNJUMCHJVKQVRN-UHFFFAOYSA-N 443.528 5.797 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)c1cccc(CC#N)c1 610051539 NCEOQRHCKBJEEX-ZDUSSCGKSA-N 440.366 5.438 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 610196745 DDNYWYADSLJYPW-UHFFFAOYSA-N 427.291 5.132 30 20 IKED COc1cc(CN[C@@H](C)c2cccc(C#N)c2)ccc1OCc1cccc(C(F)(F)F)c1 610344744 HEFTWLURYCYEID-KRWDZBQOSA-N 440.465 6.015 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)cc1 615001971 RRZPOFONPSKPMO-ZPHPHTNESA-N 449.510 5.483 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H](C(F)(F)F)C4(CCC4)C3)cn2)c1 619786443 AUQXHYWSRXACPC-GOSISDBHSA-N 430.430 5.332 30 20 IKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@H](CC(F)(F)F)C1 622724238 YTTYQJGZEYPSSS-SNVBAGLBSA-N 437.302 5.294 30 20 IKED CC(C)Oc1ccc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(F)c1 623022471 QTLIJRQNNYIDBY-QWRGUYRKSA-N 430.364 5.644 30 20 IKED CC(C)Oc1cncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 678322491 BTZYXVMFCQSAKA-MRXNPFEDSA-N 432.332 5.789 30 20 IKED N#C[C@H](C(=O)c1cc(OC(F)F)cc(OC(F)F)c1)c1nc2cc(F)ccc2s1 678922586 RAXVEWFRBBFLEN-GFCCVEGCSA-N 428.338 5.128 30 20 IKED CCc1c(C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)cnn1C 679995162 IJDJZLCSLHPULO-CYBMUJFWSA-N 447.301 5.054 30 20 IKED CC(C)(c1ccc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1)C(F)(F)F 683383544 DEDKRHVMHLKQQN-STQMWFEESA-N 449.357 6.166 30 20 IKED O=C(c1cc(F)c(Br)cc1Cl)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 684451684 FFXTZMNBVGQERD-RNFRBKRXSA-N 442.556 5.054 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3c(F)cccc3F)n2)cc1 726321440 JYFXPMUWAWVEAC-CJNGLKHVSA-N 439.487 5.563 30 20 IKED N#Cc1cccc(COc2cccc(NC(=S)NCc3cccc(C(F)(F)F)c3)c2)c1 726461267 YLWHDJDNSCXLGD-UHFFFAOYSA-N 441.478 5.643 30 20 IKED C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 727233201 IZZGNHSMYXLLBE-PWSUYJOCSA-N 445.224 5.127 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 731060434 VMGNCXOVELCLOZ-IBGZPJMESA-N 444.556 5.472 30 20 IKED Cc1cc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc(C)c1OCc1cccnc1 731645760 RZLRVTQUUCOYRG-NRFANRHFSA-N 439.437 5.291 30 20 IKED CCCC[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)Nc1cc(C)on1 732919552 LQKBBKDEJGHOID-OAQYLSRUSA-N 436.487 5.182 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(Oc3ccc(C)cn3)cc2)ccc1OC 733634963 JUKZRBVWGHVWOM-HXUWFJFHSA-N 446.507 5.194 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1 733775022 NNPOCTROZFRVEY-LJQANCHMSA-N 429.451 5.101 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2cccs2)Cc2cccs2)c1 733808213 YPIIXGGHWOQGHO-GOSISDBHSA-N 425.579 5.403 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)c1 733844501 LXOBDIROYMWZMG-IBGZPJMESA-N 436.899 5.530 30 20 IKED C#Cc1cccc(NC(=S)NC[C@@H]2CCCN(C)[C@H]2c2ccc(C(F)(F)F)cc2)c1 735417847 JNYSJMBJBBVXLW-RXVVDRJESA-N 431.527 5.056 30 20 IKED CC(C)(C)c1ncc(/C=C(/C(=O)Nc2ccc3c(c2)OCCO3)C(=O)c2ccccc2)s1 736433210 NZWIVNRWLCZGDT-XMHGGMMESA-N 448.544 5.117 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Cc3csc(Cc4ccccc4)n3)c2)s1 739595425 IRWIATDTUWLJEQ-UHFFFAOYSA-N 429.570 5.193 30 20 IKED COC(=O)C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)c2ccccc21 741591229 YNTKPKULPQEJBX-GOSISDBHSA-N 428.513 5.017 30 20 IKED O=C1/C(=C/c2ccc(Oc3cnccn3)cc2)CC/C1=C\c1ccc(Oc2cnccn2)cc1 743059474 YLSRZUOLYROYNH-YHARCJFQSA-N 448.482 5.681 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)c1 743431604 YAPHTLSBKNCTIO-UHFFFAOYSA-N 438.483 5.278 30 20 IKED CCCN1C(=S)N[C@@H](c2ccc(C#N)o2)C(c2nc3ccccc3[nH]2)=C1c1cccs1 743740359 UPZRCWWNCXLGRT-FQEVSTJZSA-N 445.573 5.299 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 748004529 ZZOMRHCFDWDENT-AUUYWEPGSA-N 448.504 5.193 30 20 IKED N#Cc1csc(/C=C2/SC(=S)N(c3ccc(OC(F)F)c(Cl)c3)C2=O)c1 748661436 JFIBSUGCVIMCCO-WLRTZDKTSA-N 428.894 5.280 30 20 IKED CC[C@H](C)Oc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)ccc1OC 749444622 SNVDYVWYLABSSE-HNNXBMFYSA-N 430.961 5.292 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1C#N 752300668 LTINMMZKKUOSAS-HNNXBMFYSA-N 449.536 5.148 30 20 IKED N#C[C@H](C(=O)C[C@H]1CSCCS1)c1nc(-c2ccc(Cl)cc2Cl)cs1 752476010 IXYOZECBCNDKLS-WCQYABFASA-N 429.419 5.532 30 20 IKED C=CC[C@H](NC(=O)N1CC[C@@H](c2ccccc2)[C@H]1c1cccc(OC)c1)c1ccncc1 753191741 RLQGFGLLIJSVGT-KKUQBAQOSA-N 427.548 5.648 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)/N=C\c1ccc(O)c(O)c1O 757524851 CEEMVNULLSTRRY-UQXWMBKDSA-N 433.327 5.178 30 20 IKED C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)c2)C1 761850737 NSIBETHBOILIOV-UKDVSSAZSA-N 433.552 5.259 30 20 IKED COCc1ccc(/C=C2/CC(O)(C(F)(F)F)C/C(=C\c3ccc(COC)cc3)C2=O)cc1 764432060 HUKUFADVZTXJOX-ZCJKAFFOSA-N 446.465 5.103 30 20 IKED CC(=NNc1ncc(C(F)(F)F)cc1Cl)c1ccc(N2CCOCC2)cc1Cl 764658144 MLUKGNJQNWXZLU-UHFFFAOYSA-N 433.261 5.080 30 20 IKED CC(C)(C#N)c1ccccc1COC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 768030365 SYYLOCWUKYYPNX-XMMPIXPASA-N 442.515 5.199 30 20 IKED CC(C)Oc1ccc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)cc1C#N 772458496 SIBZUOIGLVNPNR-OAQYLSRUSA-N 435.549 5.175 30 20 IKED N#C[C@@H](C(=O)[C@@H](c1ccccc1)N1CCc2ccccc21)c1nc2ccccc2n1C(F)F 772642385 VFPYXQAZHVKJCV-WMZHIEFXSA-N 442.469 5.412 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc2cc(Br)ccc2c1 772970596 DSFOVGIZPGDLAJ-SFHVURJKSA-N 427.685 5.217 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C 776840156 VLYCVCLSHBTMMK-MRXNPFEDSA-N 437.565 5.631 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(CC(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)c1 776909278 OHBRFNWTXQIKRD-UHFFFAOYSA-N 437.584 5.287 30 20 IKED N#CC1(c2ccc(C(=O)OCC(=O)N3c4ccccc4Sc4ccccc43)cc2)CC1 777173836 VQGRUFMLVSCLKA-UHFFFAOYSA-N 426.497 5.228 30 20 IKED COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)[C@H](C#N)c2nc3ccccc3o2)cc1 780318155 FOOOIDKPFNRKHL-QFIPXVFZSA-N 448.482 5.108 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 780552024 JOXDVEMNJAHCFJ-MRXNPFEDSA-N 446.894 5.726 30 20 IKED COc1ccc(C[C@H](NC(=O)Nc2ccccc2O[C@H](C)C#N)c2ccccc2)cc1OC 780674929 JSNCDDPQROPLCA-GCJKJVERSA-N 445.519 5.100 30 20 IKED Cc1csc(SCc2ccc(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)cc2)n1 781388745 IVOGKTBALZJROO-UHFFFAOYSA-N 449.536 5.193 30 20 IKED CCCc1c(NC(=S)Nc2ccc(Cl)c(Cl)c2)cnn1-c1cccc(C#N)c1 783954122 SZWMNIBEFWROEK-UHFFFAOYSA-N 430.364 5.812 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc4c(c3)NC(=O)CC4)n2)cc1 786314110 QBVNRFQFWLPCRI-FQEVSTJZSA-N 445.544 5.039 30 20 IKED Cc1oc(-c2ccccc2)nc1C(=O)[C@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 787043475 BEJJIEXINYCGFI-SJCJKPOMSA-N 442.302 5.157 30 20 IKED C[C@@H](NC(=O)[C@@H](C#N)C(=O)c1cccc(-c2cscn2)c1)c1ccc(Cl)cc1Cl 787048720 CPMZCTCWONQNJF-PXAZEXFGSA-N 444.343 5.317 30 20 IKED CCCCOc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1 789156904 GOOJTEBKJNBXCE-NTEUORMPSA-N 438.524 6.042 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)CCc2nc3cc(Br)ccc3s2)s1 797573756 VWQLEEOCSNRCJE-GFCCVEGCSA-N 448.411 5.622 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cc(-c3ccc(C)o3)ccc2C)ccc1OC 797655464 KUBBRWCPVHPXEP-HXUWFJFHSA-N 433.508 5.575 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(-c3ccccc3)c(C)n2)ccc1OC 810274571 VETBYRGATIZCIX-FQEVSTJZSA-N 430.508 5.068 30 20 IKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccsc3)N(CC3CC(F)(F)C3)C2=O)cc1 813564789 KGJKSPLWSDNSMB-KRWDZBQOSA-N 449.548 5.062 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cn3c(Br)cnc3s2)cc1 815009751 BUUQSFSHTWNUDG-INIZCTEOSA-N 437.322 5.066 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3(Cc4cccc(F)c4)CCOCC3)n2)cc1 815910622 CGGJFTRGFURXBQ-NRFANRHFSA-N 434.536 5.473 30 20 IKED C[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1ccc(C(F)(F)F)nc1Cl 816763959 HAFWBMKZPIJHAF-ZDUSSCGKSA-N 434.849 5.503 30 20 IKED CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915087722 WRSUGYJRNGJRKD-DEOSSOPVSA-N 425.532 5.008 30 20 IKED Fc1ccc(Br)cc1C=Nn1c(S)nnc1Cc1cccc2ccccc12 916278425 KPYBKKZCZVMLFU-UHFFFAOYSA-N 441.329 5.095 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc(-c2ccc(F)cc2)n1 916887813 RFIANQIWRJGWOH-OAHLLOKOSA-N 447.463 5.225 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCc1ncc(-c2ccccc2Cl)o1 916902980 JLNIXYZTDNKUIJ-LJQANCHMSA-N 449.938 5.400 30 20 IKED CSCCCN1C(=O)/C(=C\c2cccc(OCc3cccc(C#N)c3)c2)SC1=S 917642769 QYCWOKYTGDIZTF-DEDYPNTBSA-N 440.615 5.092 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)/C=C/c2ccc3ccc(Cl)cc3n2)cc1 919867905 GJESWBWJOFAPBT-BUHFOSPRSA-N 431.923 5.354 30 20 IKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)cn1 1787300483 RPGANYQQFJFHMB-GOSISDBHSA-N 438.531 5.079 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(C)oc4C(F)(F)F)cc3)CCC2)C1 1787397322 CPKDPSKVGYOSSO-UHFFFAOYSA-N 432.442 5.321 30 20 IKED CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1)c1ccccc1 1787646668 RSRGJPKZAHBZRA-WVWWYIFQSA-N 443.547 5.026 30 20 IKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cc5ccccc5o4)cc3)CCC2)cc1 1789004315 ZZXTUNVCAZHRRM-UHFFFAOYSA-N 449.510 5.295 30 20 IKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)c(Cl)c(Cl)c1)C2 1802635529 PKOBZSGHHXKXGU-MUJYYYPQSA-N 441.786 5.092 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccc(F)cc2)C(C)C)[nH]n1 1821926199 LRRYYEIYYJOPMR-HYVJGQCMSA-N 440.563 5.193 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(F)c2)CC1 1828826879 DOQOHJNNZJBLES-OFNKIYASSA-N 446.994 5.481 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(Cl)cc2)cc1 10832524 FTALUTYUEGOPOD-UHFFFAOYSA-O 438.016 6.248 30 20 IKED C=CCn1c(S[C@H](C)c2nc(C(C)C)no2)nc2scc(-c3ccccc3)c2c1=O 27777414 LGPMUEAQDNRTPI-CQSZACIVSA-N 438.578 5.671 30 20 IKED O/C(=N\c1nc(CN2CCOCC2)cs1)c1sc2cccc(Cl)c2c1Cl 28932960 RGXUMAXSWFTOME-UHFFFAOYSA-N 428.366 5.133 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1sc(-c2ccco2)nc1-c1ccccc1 63576260 UROMGZXCDKIVPP-UHFFFAOYSA-N 443.528 5.231 30 20 IKED CSc1ccc(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 64474702 GOOPWQQMWHNWDN-HXUWFJFHSA-N 428.966 5.518 30 20 IKED Cc1ccc(NC(=O)CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(Cl)c1 195732021 UYGIUOQTZRYGIL-UHFFFAOYSA-N 449.963 5.181 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc(C)c2ccccc2n1 219133584 FNNQSECPBHTZOE-UHFFFAOYSA-N 437.956 5.240 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 255947378 NNPWUCGFVXRVPC-HSZRJFAPSA-N 445.588 5.401 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2 302949034 MDOBKLOSPVERFO-HNNXBMFYSA-N 442.544 5.448 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2 303018333 LBBHUUOPPGYJRV-UHFFFAOYSA-N 445.611 5.366 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cnn(-c4ccncc4)c3C(F)F)cc2)c1 426318159 PXJCEZZHEFHRFK-UHFFFAOYSA-N 431.402 5.121 30 20 IKED COc1cc(Cl)c(Br)cc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 428718162 GVODBZNHBIGNSJ-NSHDSACASA-N 439.762 5.758 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccc(F)cc2C(F)(F)F)nnc1-c1ccco1 429203548 MRMNNHSWXDEVQT-UHFFFAOYSA-N 440.422 5.003 30 20 IKED CCCN(C(=O)c1cccc(SCC#N)c1)[C@H](c1cccnc1)c1ccc(F)cc1F 430612289 RMXKMTWDYQFUPA-HSZRJFAPSA-N 437.515 5.617 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3cccc(-c4noc(C5CC5)n4)c3)c2)cc1 433938013 BDVKQIDQUWCANZ-UHFFFAOYSA-N 436.471 5.317 30 20 IKED CCCOc1ccc(CC(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)cc1OCCC 437316139 NWXHSINVNQBBNB-UHFFFAOYSA-N 446.551 5.120 30 20 IKED C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H](c2ccc(F)cc2)O1 438023168 LCAYUZKFNPZCFZ-OSPHWJPCSA-N 431.467 5.484 30 20 IKED COC(=O)C(C)(C)c1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 438226271 MXJCBXCBYXHJBT-UHFFFAOYSA-N 429.476 5.445 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccnc(Oc4ccccc4Cl)c3)CC2)c1 438371315 AIAJIVNHYSFKHN-UHFFFAOYSA-N 448.910 5.474 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)Nc1cccc(CCCc2ccccc2)c1 439345867 GWKWDXOMQUORFE-UHFFFAOYSA-N 443.572 5.445 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3nc(-c4ccccc4)cs3)c2)cc1 439401047 HDHGWBYJQLSNLS-UHFFFAOYSA-N 440.484 5.051 30 20 IKED N#CCC[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)c1ccccc1 439461056 KCSWZWGJOZIJFR-HXUWFJFHSA-N 433.895 5.232 30 20 IKED CCCc1c(NC(=O)N2CCC[C@H]2c2ccccc2Cl)cnn1-c1cccc(C#N)c1 439679842 YGTBCTZKFOUTGG-QFIPXVFZSA-N 433.943 5.719 30 20 IKED COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)N[C@H](CCC#N)c2ccccc2)CCC3)cc1 440213721 GZUFQGRSVAMGLG-IRLDBZIGSA-N 446.576 5.540 30 20 IKED COCc1nc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c(-c2ccccc2)s1 442525613 LNUFBINYZYOGKF-CQSZACIVSA-N 438.459 5.191 30 20 IKED Cc1ccc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1NC(=O)c1ccccc1F 443879550 CVQQNVNQRLOOJB-UHFFFAOYSA-N 441.384 5.529 30 20 IKED Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1cn(CCCC#N)c2ccccc12 444004081 WNRVHFKBZLPKOC-UHFFFAOYSA-N 428.536 5.178 30 20 IKED O=C([C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)N(Cc1ccc(F)cc1)CC(F)(F)F 460451910 QVDFADFDEACKLV-JKSUJKDBSA-N 435.339 5.419 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H]1c1ccc(COC)o1 460564497 XGLXZXBFWDCLEF-IBGZPJMESA-N 442.947 5.264 30 20 IKED C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCC[C@@H]1c1ccc(Br)c(C)c1 460958283 KDZYWTKVUUBKEX-MOPGFXCFSA-N 431.378 5.118 30 20 IKED CC[C@@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nc(C(F)(F)F)cs1 465257495 FXWXSRVJVFINJV-GOSISDBHSA-N 445.466 5.494 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCCc2ccn(-c3ccc(F)cc3)n2)cc1 466180882 RPNMYZWJLBFTRF-UHFFFAOYSA-N 441.466 5.040 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 467924560 MMRZKNJPHZQPTC-WJOKGBTCSA-N 432.589 5.746 30 20 IKED Cc1nnc(-c2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)cc2)o1 468703376 UCWDLDCLSFCDLR-UHFFFAOYSA-N 444.878 5.401 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(Br)ccc3NC3CC3)cc2)nc1 468803768 CSKYCAJLEQFJOS-UHFFFAOYSA-N 449.308 5.335 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Cl)cc1-c1ccccc1Cl 469264019 XECAAOSTWLIMJP-UHFFFAOYSA-N 440.330 5.821 30 20 IKED COc1ccccc1[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1Cl 471684022 ZENUARIYGKJWQI-QHCPKHFHSA-N 430.895 5.149 30 20 IKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(O)(Cc2cccc(F)c2)CC1 474829677 IFIUUMPIECYQCL-UHFFFAOYSA-N 449.366 5.073 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccc(Br)cn1 477768352 OHTYWGNXBAABLZ-ZDUSSCGKSA-N 440.272 5.138 30 20 IKED Cc1coc(-c2cc(NC(=O)c3ccccc3Sc3ccccc3C#N)ccc2C)n1 478498323 FSNKFWYVNRZCOT-UHFFFAOYSA-N 425.513 6.234 30 20 IKED Cc1ccccc1-c1noc(C)c1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 483983103 WKJGESSYGLOUPF-DEOSSOPVSA-N 437.499 5.532 30 20 IKED CSc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1[N+](=O)[O-] 486244012 LKPARDRKWUTBKD-UHFFFAOYSA-N 441.456 5.594 30 20 IKED Cn1ccnc1-c1csc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)n1 488971229 SFDGOUYPLLPIOF-UHFFFAOYSA-N 435.896 5.113 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)CCC)cc2)nnc1-c1cccs1 489409028 XAPMJSUSHSABRU-HNNXBMFYSA-N 440.594 5.295 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C(=O)OC)c1cccc(Cl)c1 489620161 QRGUVIOIFGEYLF-FQEVSTJZSA-N 443.956 5.011 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 490912181 ORBYTESNYQSNCG-UHFFFAOYSA-N 440.425 5.043 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1C 497869726 YMDQIXQTXFFBJX-KRWDZBQOSA-N 440.469 5.590 30 20 IKED CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 502193559 GLIVEAXUASJCGS-UHFFFAOYSA-N 429.545 5.490 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(CSc3ccccn3)c2)cc1 502411228 WAMFHOCYLFETAD-UHFFFAOYSA-N 433.537 5.325 30 20 IKED N#Cc1ccc(C2=CCN(CCC(=O)N[C@@H](c3ccccc3)c3cccs3)CC2)cc1 502529804 PLXKQASXCXWIHA-SANMLTNESA-N 427.573 5.005 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(CCC(F)(F)F)cc3)c2)c1 503920117 KSFJPAONQCAJRB-UHFFFAOYSA-N 437.421 5.558 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H](c4ncc5n4CCCC5)C3)cc2)c1 505297264 FLAVUPSDHDPUJQ-HXUWFJFHSA-N 441.535 5.295 30 20 IKED CC1CCC(Oc2cc(CNC(=O)c3occc3COc3cccc(C#N)c3)ccn2)CC1 505539471 WJCLLIHPZJGHFG-UHFFFAOYSA-N 445.519 5.013 30 20 IKED CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)C1 505633107 KBWCIWDEKDTKHI-CTNGQTDRSA-N 435.593 5.234 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2cc(-c3ccccc3)no2)cc1 508247670 IGANASCIGQBLRX-UHFFFAOYSA-N 440.459 5.336 30 20 IKED C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCC(OCCc2ccccc2)CC1 508815655 CPMZRXJKOUQUEV-UHFFFAOYSA-N 448.636 5.293 30 20 IKED C[C@H](NC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(C#N)cc1 512784698 ZTVDUMDCSLLYGP-LSDHHAIUSA-N 425.941 5.366 30 20 IKED Cc1ccc(OC2CCN(C(=O)c3cccc(COc4ccccc4C#N)c3)CC2)cc1C 513218361 OMZRQQZPRRNAHY-UHFFFAOYSA-N 440.543 5.438 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)Cc1c[nH]c2cccc(Br)c12 513780916 GIDGCZLUBVJASJ-CYBMUJFWSA-N 428.355 5.363 30 20 IKED COc1cc(Cl)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 513853153 SPQVFGSQOFYWIV-GOSISDBHSA-N 441.314 5.918 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@@](CO)(c3ccccc3)C2)cc1 513908769 DMHOAJHYFSWVAP-HHHXNRCGSA-N 442.584 5.017 30 20 IKED C=CCn1c(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)nnc1-c1ccccc1 514941607 ZDKUAUIMIVWDFV-UHFFFAOYSA-N 443.454 5.492 30 20 IKED CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1 515439360 VAYRIYJBUDBTLS-OAQYLSRUSA-N 438.453 5.181 30 20 IKED CN(Cc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 515798796 KYHDDUBRVDMHIJ-UHFFFAOYSA-N 449.894 5.439 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 517600344 RLBILCLPTITBAO-DNVCBOLYSA-N 448.464 5.088 30 20 IKED CC(C)Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)C2CC2)cc1 518151568 PIBNUFCPCGIEFN-MHECFPHRSA-N 449.620 5.343 30 20 IKED Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)s1 518581925 QRRPXUOYLFCSMC-QGZVFWFLSA-N 434.565 5.630 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 519455583 NGDRRWGAPNCQIK-UHFFFAOYSA-N 431.467 5.037 30 20 IKED Cc1ccc(OC2CCN(C(=O)c3ccc(COc4ccccc4C#N)o3)CC2)cc1C 520019844 ZWDGIALSKUUCPS-UHFFFAOYSA-N 430.504 5.031 30 20 IKED CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C 521475079 PBPKPTPYNHCHSN-IBGZPJMESA-N 435.911 5.369 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 521726866 RMMKXUPVWVZVPP-CQSZACIVSA-N 447.482 5.336 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(Cn3cccn3)cc2)c1 522635090 XQONBUQZMOTMLE-UHFFFAOYSA-N 428.879 5.501 30 20 IKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@@H](C#N)c3nc4cccc(C)c4[nH]3)cc12 522829471 FQUVATAQELWCRB-QGZVFWFLSA-N 429.480 5.209 30 20 IKED C=CCn1c(SCC(=O)Nc2cccc(C(F)F)c2)nnc1-c1ccc(Cl)cc1 523036999 BSNUQYNIVURDHL-UHFFFAOYSA-N 434.899 5.453 30 20 IKED CC1CCC(OC2CCN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)CC1 524676752 HPLCFNMUABBKNI-UHFFFAOYSA-N 443.657 5.277 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Br)ccc3OC)n2)cc1 524767195 QNJOGWOYTHCQQG-INIZCTEOSA-N 443.322 5.080 30 20 IKED Cc1nc(O)c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1-c1ccccc1 531180388 DZLJANMXKXBRGV-UHFFFAOYSA-N 439.446 5.818 30 20 IKED O=C1CCCN1C[C@H](NCc1cc(F)cc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 532587749 ZZAXLPGMWSJVGU-SFHVURJKSA-N 448.382 5.317 30 20 IKED N#C[C@H](C(=O)c1cc(Br)cc(C(F)(F)F)c1)c1nc2ccccc2s1 533772679 YQIUQZAJYPXJFK-GFCCVEGCSA-N 425.229 5.568 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)Nc1cccc2c1CN(c1nccs1)C2 534771334 HGCRNVQVUGETHG-HNNXBMFYSA-N 435.578 5.559 30 20 IKED N#CCc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)cc1 536083634 UZQVMXATYQLTSL-NRFANRHFSA-N 434.421 5.167 30 20 IKED Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 536918407 XHICOIYWINUBEE-UHFFFAOYSA-N 438.531 5.091 30 20 IKED N#C[C@@H](C(=O)c1cnc(Oc2ccccc2)cn1)c1nc(-c2c(F)cccc2F)cs1 538044069 UALABSXNPNCPNI-AWEZNQCLSA-N 434.427 5.161 30 20 IKED COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NCc2nnc(-c3cccc(C#N)c3)o2)c1 538261226 PJQRGSRUOMRTFN-RUZDIDTESA-N 438.531 5.307 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)NCc2ccc(OCc3ccccn3)cc2)cc1 539176388 XHGCVVCNNYPLGQ-UHFFFAOYSA-N 448.526 5.199 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)c1c(F)c(F)cc(F)c1F)C(F)(F)F 539650431 MOIMWOWJTYJQLK-GOSISDBHSA-N 445.338 5.079 30 20 IKED COc1cccc(NC2CCN(C(=O)NCc3ccc(-c4ccccc4C#N)cc3)CC2)c1 540306215 BJIIKRYMUXPPJF-UHFFFAOYSA-N 440.547 5.020 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 540852385 DOQVWMJMZRCEBF-UHFFFAOYSA-N 437.455 5.126 30 20 IKED Cn1cc(-c2ccc(F)c(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c2)cn1 541075452 ZSSRFZOBFQOARW-QFIPXVFZSA-N 444.897 5.787 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)CC3CCC(C(F)(F)F)CC3)c2)c1 542164195 OSCPRFICYXAMDI-UHFFFAOYSA-N 429.442 5.508 30 20 IKED COc1cc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1OCc1ccncc1 543851772 WGZMJNFATVIOOF-NRFANRHFSA-N 449.554 6.059 30 20 IKED CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 543889533 OCRABPLGQDSNEM-UHFFFAOYSA-N 433.821 5.080 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3nnc(C4CC4)n3C3CC3)n2)o1 543960424 VDKZNAALLYMNEU-UHFFFAOYSA-N 445.470 5.637 30 20 IKED Cc1nccc(NCc2cccc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)c2)n1 544507076 BDCOAYYHSIFXBD-UHFFFAOYSA-N 449.514 5.100 30 20 IKED C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 552070433 PKEDIGUPUIOFLQ-IAGOWNOFSA-N 427.951 5.218 30 20 IKED N#CCCC[C@@H](NCc1csc(-c2cccc(Br)c2)n1)c1ccccc1 556906894 FEXWBAAGKLKZER-HXUWFJFHSA-N 426.383 6.097 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N(Cc1ccccc1)c1ccccc1C#N 558371419 FZTSIMHNHLHMGG-INIZCTEOSA-N 440.469 5.271 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 564419737 PCMCNCYHFTWHKP-CEMLEFRQSA-N 434.609 5.067 30 20 IKED COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 589363545 UQIKPFXQUGPBHU-QHCPKHFHSA-N 428.492 5.513 30 20 IKED Cc1ccc(C(=O)N(Cc2ccco2)c2ccccc2C#N)cc1NC(=O)c1ccccc1 603589477 OUTUCFLYDFCNAO-UHFFFAOYSA-N 435.483 5.559 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N(Cc1cccnc1)c1ccc(Cl)cc1 603963968 LLTMVHBJJMKAAY-UHFFFAOYSA-N 435.911 5.008 30 20 IKED C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc(OCCCC#N)c3)cc2[N+](=O)[O-])C1 603971071 GVUFYSVMQRDMKJ-ROUUACIJSA-N 436.512 5.012 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3sc4cc(F)ccc4c3Cl)CC2)c1 604533911 OFSNZONTLYKIIU-UHFFFAOYSA-N 441.915 5.056 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 606784602 AKHCXGLUXCZMDT-RXVVDRJESA-N 446.513 5.395 30 20 IKED N#C[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1ccc(OCc2ccccc2)cc1 609028646 KZQCZMVOGNSHNE-JOCHJYFZSA-N 448.906 5.075 30 20 IKED CC[C@@H](C)[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1nc2ccccc2[nH]1 609058078 UITJZAZABKSIEI-WAIKUNEKSA-N 428.492 5.124 30 20 IKED COCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)oc2ccccc12 609062137 ZLILQXHPJBJBFO-UHFFFAOYSA-N 426.472 5.591 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1ccccc1SCCC#N 609375411 OLAAVFGNHIBGMH-UHFFFAOYSA-N 439.537 5.706 30 20 IKED CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1SC[C@H](C)C#N 609377965 SFVWTUOQRGUISK-XFQAVAEZSA-N 444.000 5.375 30 20 IKED CC(C)(NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(Br)cc1 609500705 NJMVGGWTSIXEHM-UHFFFAOYSA-N 436.309 5.173 30 20 IKED CN(C)[C@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1c(F)cccc1F 609664251 OKVOSQLGMFBGSC-HXUWFJFHSA-N 437.515 5.020 30 20 IKED N#CCCn1ccc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2cccs2)CCC3)n1 609788262 UVEHEHQVCUWJON-WUKNDPDISA-N 439.544 5.536 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCc3cc(F)ccc3[C@H]2C)cc1 610018810 SOQWGSXXAYEZTK-MRXNPFEDSA-N 431.467 5.649 30 20 IKED COc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)sc(C)c1Br 610290619 LXHPOHFYSNUCNQ-UHFFFAOYSA-N 444.310 5.139 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](C[C@H]3CCOC3)C2)cc1Cl 611357339 XENYUKSDRSCGNY-DNVFCKCGSA-N 437.971 5.666 30 20 IKED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(NC(=O)CCCOc2ccccc2)cc1 611390684 OISNSVUBXWLQHN-MHZLTWQESA-N 439.559 5.523 30 20 IKED N#C[C@H](C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 612941781 XHRFUUAQVIUASS-VQTJNVASSA-N 438.936 5.511 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 615519777 ZZBPVJFMUZCYCL-UHFFFAOYSA-N 433.483 5.307 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1-c1ccccc1OC 617993023 JMPCHJUHIHESPO-OAHLLOKOSA-N 442.972 5.221 30 20 IKED C=C(C)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 670213537 WNCDHINJCKYQMR-NRFANRHFSA-N 427.552 5.165 30 20 IKED C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 685551062 OUVPKSAXXLUYNR-OXJNMPFZSA-N 442.947 5.338 30 20 IKED CC(C)Oc1ccc(N2C(=O)/C(=C/c3ccc(N(C)CCC#N)cc3)SC2=S)cc1 726631022 ZNUZIUFMMRIIMF-QNGOZBTKSA-N 437.590 5.229 30 20 IKED Cc1cccc(N(CCC#N)C(=O)COC(=O)C(C)(C)c2cccc(C(F)(F)F)c2)c1C 727220485 VFIPKWOKWKLMBM-UHFFFAOYSA-N 446.469 5.090 30 20 IKED C/C(=C/C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1Cl 727628334 VBAWWWHGYQGHMS-HQSFBDMMSA-N 430.891 5.883 30 20 IKED COc1ccc(Oc2ccc(Cl)cc2NC(=O)NCc2ccc(OCC#N)cc2)cc1 727935734 VEHAPYSJFUKTLL-UHFFFAOYSA-N 437.883 5.365 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 728028488 KGXNCFHYCUAEEA-QHCPKHFHSA-N 449.551 5.174 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)c1 728125729 LYWHESPDRSCMIZ-MRXNPFEDSA-N 425.357 5.547 30 20 IKED CNC(=O)c1ccc(/C=C\C(=O)c2sc(-c3ccccc3Br)nc2C)cc1 730148881 OJPFERVOTDDODX-XFXZXTDPSA-N 441.350 5.137 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1 730989855 PXPOMCWFOPVLRM-RXVVDRJESA-N 437.565 5.068 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@H]1c1ccc(OC(F)F)c(Cl)c1 731493532 DLMMDZBBHYRXAL-KRWDZBQOSA-N 443.302 5.114 30 20 IKED C[C@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C[C@@H](C)N1C(=O)OC(C)(C)C 733620603 AXKNJOLURVKRRQ-SELNLUPBSA-N 448.567 5.204 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](c2oc3ccccc3c2C)C(C)C)ccc1OC 733650058 IRWKQXMODXYQJM-NTKDMRAZSA-N 449.551 5.627 30 20 IKED N#Cc1ccc(NC(=S)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)cc1Cl 733906899 YQBBZKAUIGKUSU-UHFFFAOYSA-N 448.857 6.227 30 20 IKED Cc1ccc(OCc2cccc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)c2)cn1 734080715 ZZRMHGYRKHMSNW-XMMPIXPASA-N 435.483 5.083 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)c2)c1 734705466 HVKHURQRPGMGDO-VWLOTQADSA-N 445.478 5.252 30 20 IKED C[C@@H](OC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc2c(c1)CC(=O)N2 735210370 NAKICNYJVLWSNE-CQSZACIVSA-N 432.863 5.417 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)c2)s1 739600347 VZJXKCHUCIUKGY-UHFFFAOYSA-N 447.947 5.844 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(COCc3ccccc3)cc2)c1 743191527 IMLXVXGFSBOTTI-DEOSSOPVSA-N 429.520 5.406 30 20 IKED C=CC[C@@H](NC(=O)N[C@@H](c1cc(F)ccc1F)c1ccccc1Cl)c1ccncc1 745827326 JIDJSVGJAIVGLE-FGZHOGPDSA-N 427.882 5.719 30 20 IKED CC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nc(C(F)(F)F)cs1 745935295 KCACZWCUHIHHNI-ZWKOTPCHSA-N 444.482 6.090 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccccc2Cl)cc1 747109535 VZBVMZBPGVTULO-GOSISDBHSA-N 434.879 5.492 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(Cc2cccc(C)c2)Cc2ccco2)cc1C#N 752298116 RCUJVXXFXXQADB-UHFFFAOYSA-N 432.480 5.262 30 20 IKED O=C1NC(=Nc2cccc(C(F)(F)F)c2)S/C1=C/c1cnc(-c2ccccn2)s1 753134992 MMTUKEGRCCMBJN-OQLLNIDSSA-N 432.452 5.116 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H]3CCO[C@@H](c4ccc(F)cc4)C3)c2)s1 754210108 QHFOVSARNFMBMW-IFMALSPDSA-N 435.524 5.145 30 20 IKED CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)OCC3 759182631 KRAOFHQEYAXSHU-NIYFSFCBSA-N 426.520 5.051 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 759392305 OTOMPHHCUGESKG-FUHWJXTLSA-N 446.601 5.598 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(-c2nnc(S)o2)cc1 759573818 HTHYOIWZMSRVJO-UHFFFAOYSA-N 428.473 5.250 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)CCO2)c1 762311394 AENXNQFNLJLZKG-DEOSSOPVSA-N 443.890 5.089 30 20 IKED CC(=O)N(c1nc(/C=C2\CCc3c(C)ccc(C)c3C2=O)cs1)c1ccc(F)cc1F 769746874 PFQDEONMKRLPLZ-MHWRWJLKSA-N 438.499 5.935 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)OC[C@H]1CCCN(C(=O)c2ccccc2)C1 778315048 YRBAFXFRGSICDK-FQEVSTJZSA-N 440.499 5.060 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 780352988 AAMFFJVFHTUSHB-DEOSSOPVSA-N 429.479 5.589 30 20 IKED CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 782708399 LQEMSQJFJXCLIV-ZLNRFVROSA-N 448.567 5.299 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(CCCn3ccnc3)CC2)cc1 783042315 QMKIJTLFHONRBS-RUZDIDTESA-N 427.552 5.263 30 20 IKED Cc1c(C(=O)/C=C/c2cccc(/C=C/C(=O)c3cnn(C(C)C)c3C)c2)cnn1C(C)C 787187641 UMVFKJQBBJTDMS-DCIPZJNNSA-N 430.552 5.650 30 20 IKED CC(C)(C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1ccc(OC(F)(F)F)cc1 789349664 ZVPGMOQIXCTTCA-AWEZNQCLSA-N 437.368 5.484 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=S)N[C@@H](C)c1ccc(Cl)cc1Cl 795138379 FXLKXIRNDCQZRM-HNNXBMFYSA-N 425.429 5.785 30 20 IKED C[C@H](OC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1C(F)(F)F 801899746 ZOKZUHLJVNMVPQ-ZUZCIYMTSA-N 437.311 5.305 30 20 IKED C=CCNC(=S)/C(=C(/O)c1ccc(CC(C)C)cc1)[n+]1cc(O)cc(-c2ccccc2)c1 811722698 OSZHWTSBCDANAD-UHFFFAOYSA-O 445.608 5.532 30 20 IKED N#C[C@H](C(=O)CCc1cnn(-c2ccccc2)c1)c1nc2cc(C(F)(F)F)ccc2s1 915103750 DNBMJXWLOAGVBN-QGZVFWFLSA-N 440.450 5.310 30 20 IKED O=C(/C=C\c1cc2ccccc2nc1N1CCOCC1)c1ccc(N2CCCCC2)c(F)c1 916129159 XSENLVFLFXMSOG-LUAWRHEFSA-N 445.538 5.097 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2COc3ccccc3C2)cc1Cl 916200018 RYETULWUVSFFPJ-VGSWGCGISA-N 431.923 5.368 30 20 IKED COc1ccccc1N=C1SCCN1C(=O)COC(c1ccccc1)c1ccccc1 916552694 LWCWCABVOUBQRN-UHFFFAOYSA-N 432.545 5.064 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 916896885 PSRJMAVJJCFYPN-VWNXMTODSA-N 448.975 5.819 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN(CCc2ccccc2)Cc2ccccc2)c1=S 917438552 YIUPOSXWKUAEBM-UHFFFAOYSA-N 441.604 5.364 30 20 IKED Clc1ccc(-c2nnc(CON=Cc3ccc(Br)cc3)o2)c(Cl)c1 920398894 GUDCJAUOPTUFNJ-UHFFFAOYSA-N 427.085 5.357 30 20 IKED N#C[C@H](C(=O)Cc1ccc(Br)cc1)c1nc(-c2c(F)cccc2F)cs1 920804771 YVUNRFVQUZOKTH-CYBMUJFWSA-N 433.277 5.270 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C4=CCCS4)cc3)CCC2)c1 1786414949 FFJWJULNDWXPMQ-KRWDZBQOSA-N 431.561 5.082 30 20 IKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3c(-c4ccccc4)cn4ccccc34)CCC2)cc1 1787647394 KBZXJOCVNVTYPU-UHFFFAOYSA-N 448.526 5.268 30 20 IKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)CCc3ccc[nH]3)cc2)CCC1 1788189538 CXJJSCLJIIHGFZ-UHFFFAOYSA-N 449.671 5.133 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cccc4cc(C)[nH]c34)cc2)CCC1 1789019770 WOUXVGUOXRQBFR-UHFFFAOYSA-N 437.490 5.435 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCCSC4)CCC3)cc2)c1 1792124294 RTHSHZYETRUNCV-GHTZIAJQSA-N 447.604 5.205 30 20 IKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3ccc(Cl)cc3)o1)C2 1801639209 AYOHZNKKYFJIQM-QLIIJSOBSA-N 426.944 5.064 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(CCC)cc2)[C@H]1c1cccnc1 1812029355 IMFGYRWPQQGLHQ-LOSJGSFVSA-N 447.623 5.346 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)n[nH]1 1822015165 SNLIMLFLCCKEKB-XODKDNOYSA-N 426.605 5.221 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(C)cc2F)CC1 1828829553 JBWLVTYAQFYYQZ-YKSBVNFPSA-N 444.566 5.275 30 20 IKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)CC1 1829572443 BNQHSELLVUBMRK-JOCHJYFZSA-N 445.563 5.033 30 20 IKED CC(=O)N(c1nc(COC(=O)c2ccc(C#N)cc2)cs1)c1c(C)cc(C)cc1Cl 10807567 JRFJGUJKEGABSZ-UHFFFAOYSA-N 439.924 5.327 30 20 IKED C=CCn1c(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)nnc1-c1cccc(C)c1 21991380 JFNVXEPLTZMRKZ-UHFFFAOYSA-N 448.636 6.417 30 20 IKED Cc1nc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c2c(C)c(C)sc2n1 22168034 WNSFIUKYDLVCRZ-LLVKDONJSA-N 428.608 5.158 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2cccs2)nnc1-c1ccc(Cl)cc1 57926179 NBCSWSGITUXJCY-CQSZACIVSA-N 433.002 5.158 30 20 IKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccc(F)c(F)c2)c2ccccc2c1=O 108225931 RIJBRPXWKGPOAM-UHFFFAOYSA-N 444.485 5.083 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C(C)C)nc2onc(C)c12 195611402 NBGDISWPTQNPQR-UHFFFAOYSA-N 427.464 5.274 30 20 IKED CC[C@@H](C#N)Oc1cc(CNCc2ccc(-c3ccc(C(F)(F)F)cc3)o2)ccc1OC 237021059 PMYZVYKIEAALJC-IBGZPJMESA-N 444.453 5.945 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 302922035 RMQUEXBJMDUFNX-OAHLLOKOSA-N 427.378 5.073 30 20 IKED Cc1cc(-c2cc(C(=O)NCc3ccc(C#N)cc3)c3cnn(C(C)C)c3n2)c(C)s1 302990307 WBGOHIGKYCLESI-UHFFFAOYSA-N 429.549 5.159 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@H](c2ccccc2)O1 409789698 HALDCYUZUYOFBV-FQRUVTKNSA-N 441.531 5.326 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1cc(Cl)ccc1Cl 427485044 YYMVGWBIQUMUDI-OLZOCXBDSA-N 436.364 5.204 30 20 IKED CC(C)N1C(=O)N([C@@H](CCC#N)c2ccccc2)C(=O)[C@H]1c1ccc(Br)cc1 432389782 WXSJOIXKUUEIEM-VQTJNVASSA-N 440.341 5.208 30 20 IKED CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2F)c2cccs2)cc1 433519145 KDNFNMXQRNMXNY-NYHFZMIOSA-N 435.524 5.117 30 20 IKED COc1ccccc1Cc1nnc(SCCC(C#N)(c2ccccc2)c2ccccc2)o1 434648575 LZHDLFYYLYPZNY-UHFFFAOYSA-N 441.556 5.661 30 20 IKED CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 437484603 VZBDADHYIULRBS-UHFFFAOYSA-N 445.494 5.404 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F 437972726 SFCSQIMUWIYONZ-HFJWLAOPSA-N 443.522 6.200 30 20 IKED C=CCn1c(SCCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccco1 438789832 JKSKJJJGZOYBPS-UHFFFAOYSA-N 446.532 5.637 30 20 IKED C=CCC[C@H](NC(=O)NCCc1nnc(-c2ccccc2)o1)c1ccc(C(F)(F)F)cc1 442238276 QVMABZCFHGCUFU-IBGZPJMESA-N 444.457 5.305 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@@H]1CCCN(c2ncnc3sccc23)C1 443860401 UCYAJDBUNZJNFX-MRXNPFEDSA-N 445.573 5.147 30 20 IKED CCn1ncc2c(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)cc(-c3ccccc3)nc21 443885412 QHIRWTCCEUDMSR-UHFFFAOYSA-N 435.409 5.261 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)c2ccccc21 444741838 DVDAQMQQUWAKSI-UHFFFAOYSA-N 436.515 5.127 30 20 IKED Cc1c(Br)cccc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 463118688 LDWWSBOXGIOJGP-UHFFFAOYSA-N 435.321 5.655 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2Cc3ccc(O)cc3C3(CC3)C2)cc1Cl 463492289 QLICEYOMOARRCI-QFIPXVFZSA-N 443.934 5.780 30 20 IKED C=C(C)CN1CCC(NC(=O)N(Cc2ccc(-c3ccccc3OC)cc2)C(C)C)CC1 465862547 OKXMKYJFVWHDQO-UHFFFAOYSA-N 435.612 5.323 30 20 IKED C=C(C)Cn1c(SCC(=O)N2CC[C@H](c3ccccc3)C[C@@H]2C)nnc1-c1ccco1 466891696 SXCWULJBBHTVPK-ICSRJNTNSA-N 436.581 5.001 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCc3c(Br)ccc(Cl)c3C2)cc1 467096683 SLGPWXIPPSPYIT-UHFFFAOYSA-N 432.749 5.494 30 20 IKED C[C@@H](CCC#N)Sc1nnc(CNc2cccc(C(F)(F)F)c2)n1C1CCCCC1 470461005 VQUXBCDCUNJJQK-HNNXBMFYSA-N 437.535 6.199 30 20 IKED CC(C)c1nn(-c2ccccc2)cc1CNC(=O)Nc1ccccc1SC[C@H](C)C#N 470591915 WIRLNSQWGSMTMC-GOSISDBHSA-N 433.581 5.569 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cc2nccnc2cc1F 471166887 YQSFHBYFTJYAEJ-INIZCTEOSA-N 431.311 5.211 30 20 IKED Cc1cccc(NS(=O)(=O)c2cc(NC(=O)C[C@@H](CC#N)c3ccccc3)ccc2C)c1 474193040 CKNHLNPMVKTNRZ-OAQYLSRUSA-N 447.560 5.130 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2ccc(COc3cccc(Br)c3)o2)n1 474426514 LCHBKTTYFFOXGT-MRXNPFEDSA-N 445.338 5.691 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2oc3ccccc3c2CSc2ncccn2)n1 474439009 LQWSBRNUYLZOMH-HNNXBMFYSA-N 434.546 5.585 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)n1 474449147 UENSJKWRIMFZRG-LLVKDONJSA-N 433.320 5.646 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(c2c[nH]c3ccc(OC)cc23)CC1 475577732 HFCAZFIIVRDGDU-UHFFFAOYSA-N 431.580 6.440 30 20 IKED Cc1ccc([C@@H]2COCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)o1 480354097 GTBQJHFAXOFDSI-UNMCSNQZSA-N 435.911 5.502 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCc1csc(-c2ccc(F)cc2)n1 481371720 NXLMLBQSRNHUEO-UHFFFAOYSA-N 438.553 5.598 30 20 IKED N#CCCN(CC(F)(F)F)C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 482647662 PDQRTACCENGYDE-UHFFFAOYSA-N 445.210 5.299 30 20 IKED C=CCOc1cccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)c1 483452906 RUAQDLKKPABKOJ-JOCHJYFZSA-N 431.536 6.399 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2nnc(CC(F)(F)F)s2)c1 484954916 RAFCHTODYWCLSA-UHFFFAOYSA-N 438.818 5.213 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\c2nc3ccccc3n2CC#N)cs1 486102776 NRSIWFORMJFUON-FLIBITNWSA-N 433.924 5.525 30 20 IKED Cc1nc2cc(C(=O)N[C@H](CCCC#N)c3ccccc3)ccc2n1Cc1ccsc1 487578224 WCNOHYOFRJHSPE-JOCHJYFZSA-N 428.561 5.620 30 20 IKED Fc1ccc(-n2ccc(CN[C@H](c3ccc(OC(F)F)cc3)C(F)(F)F)n2)c(F)c1 487918050 OFGCAIXFKYCVPO-QGZVFWFLSA-N 433.327 5.145 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2csc(Br)c2)cc1 488009890 OEFAMGAKKCPGRF-UHFFFAOYSA-N 429.314 5.364 30 20 IKED C=C[C@H]1CCCCN1C(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 488853800 MPGBQNLNJIPNRP-WBVHZDCISA-N 439.606 5.253 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3ccc(C(=O)Nc4ccccc4)cc3)o2)cc1 489762003 SQMRLGYKDXSZBP-UHFFFAOYSA-N 443.528 5.846 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1cn(-c2ccc(F)cc2)nc1-c1cccc(C)c1 494169370 GFENHCAOWYUTFF-UHFFFAOYSA-N 426.451 5.119 30 20 IKED N#Cc1cccc(CNC(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1 500246822 SOTSDHVHHHRUCL-OAQYLSRUSA-N 428.923 5.324 30 20 IKED Cc1nc([C@H]2CCCCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)no1 501140167 DFUGMOZGIVHIBV-OAQYLSRUSA-N 449.486 5.117 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccccc2COCc2ccccc2)cc1 502314014 CLCFRCLKIMTHGY-UHFFFAOYSA-N 430.508 5.355 30 20 IKED CC(C)Oc1cc(Br)ccc1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 504014582 WWHKVJVMTQKMCS-UHFFFAOYSA-N 425.326 5.037 30 20 IKED Cc1ccc2c(C3=CCN(C(=O)C4CCN(c5ccc(C#N)cc5F)CC4)CC3)c[nH]c2c1 506326436 PIDVYJVXNLZXQX-UHFFFAOYSA-N 442.538 5.019 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)o1 509263078 KDRIVNJYARNIBS-SFHVURJKSA-N 432.373 5.293 30 20 IKED CN(CCCOc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510053904 HJDFNWIFGNYPPV-QHCPKHFHSA-N 433.939 5.928 30 20 IKED COc1cccc([C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)N(C)C)c1 510505477 HAUWJVHMGVZRFH-RUZDIDTESA-N 444.535 5.092 30 20 IKED Cc1nc(C(F)(F)F)ccc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 512397586 GKQFEUFHQPTATQ-UHFFFAOYSA-N 432.299 5.005 30 20 IKED C[C@@H](N[C@H](C)c1ccc(C#N)cc1F)c1nc(-c2ccc(Br)cc2)cs1 512672364 KAEKRFIGQLGMPN-CHWSQXEVSA-N 430.346 5.995 30 20 IKED CC(=O)Nc1ccc(F)c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 513949573 CHQFQQHVSHQWIF-UHFFFAOYSA-N 434.446 5.029 30 20 IKED N#CCCn1cc(C(=O)COc2ncnc3scc(-c4ccccc4)c23)c2ccccc21 514586589 SRGRASZUNICLBU-UHFFFAOYSA-N 438.512 5.488 30 20 IKED Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1NC(=O)c1ccccc1F 515098256 YXTDMCIEKGZKRH-UHFFFAOYSA-N 429.495 5.309 30 20 IKED Cc1noc(C)c1COc1ccccc1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 517844768 WJEGYFBGOZBAES-UHFFFAOYSA-N 439.471 5.787 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1C 518911587 FCPIRDVLPWSBIW-UHFFFAOYSA-N 443.551 5.318 30 20 IKED COc1ccc(SCCC(=O)N(Cc2ccccc2)c2ccccc2C#N)cc1OC 521990333 KVYQMAJTRAJHTD-UHFFFAOYSA-N 432.545 5.291 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)NC(c2cccs2)c2cccs2)c1 523091954 GNUODWKFIWGSQC-UHFFFAOYSA-N 430.554 5.780 30 20 IKED CCCN(Cc1ccc(C)cc1)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 525269601 XQUPHLMCBVOLPK-UHFFFAOYSA-N 445.494 5.175 30 20 IKED C[C@@H](CNC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1nc(-c2ccccc2)no1 534095491 HBXZANSKYMYPEL-KRWDZBQOSA-N 440.528 5.293 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1Cl 534873263 INTRCWMAYFBJFZ-UHFFFAOYSA-N 444.918 5.739 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C(=O)Nc4ccccc4)cc3)n2)cc1 535407447 UGIDGFFMHHYBCI-QFIPXVFZSA-N 448.507 5.424 30 20 IKED COc1cc(CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C2CC2)ccc1O 536444639 QLAZDZYUXRKCHY-UHFFFAOYSA-N 432.451 5.009 30 20 IKED COc1cc(CN[C@@H](CCC#N)c2ccccc2)cc(Br)c1OC(F)F 537324917 CZVGHRUQJUEMSJ-INIZCTEOSA-N 425.273 5.194 30 20 IKED CC(C)N(Cc1ccc(NC(=O)N(C)Cc2cccc(C#N)c2)cc1)C[C@H]1CCCCO1 538239871 PQGMAQYQDAOSAY-RUZDIDTESA-N 434.584 5.002 30 20 IKED C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nnc(-c2cccc(Cl)c2)o1 542947168 UAZXCNWUARRTOP-SJORKVTESA-N 428.923 6.340 30 20 IKED COc1ccc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OCc1cccnc1 542947622 JEYMJVCIAYFLIA-NRFANRHFSA-N 449.554 6.059 30 20 IKED CC(C)Cc1noc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1 543052737 QPZMAKPWPNYWHA-AWEZNQCLSA-N 449.317 5.699 30 20 IKED C=CCOCCCc1nc(-c2cccnc2Oc2ccc(C)cc2Br)no1 545130902 PFXQWTPIXQXVMT-UHFFFAOYSA-N 430.302 5.130 30 20 IKED N#C[C@H](C(=O)c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1)c1ccncn1 546859443 JFWZBYZLYYHJQR-DEOSSOPVSA-N 441.494 5.486 30 20 IKED CC(C)N(Cc1ccc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1)C[C@@H]1CCCCO1 552139765 XIKRWYDPKKVVTA-VWLOTQADSA-N 449.570 5.147 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C 554137503 BRVRYYGWEZFMOD-UHFFFAOYSA-N 448.523 5.335 30 20 IKED CN(C(=O)C(=O)Nc1sccc1C#N)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 556152656 BUBVCQRSPKBJJP-UHFFFAOYSA-N 444.343 5.113 30 20 IKED CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(=Cc2ccccc2F)CC1 559036690 DISAHZJHVQBVNK-UHFFFAOYSA-N 445.542 5.066 30 20 IKED C=CCn1c(S[C@@H](c2ccc(Cl)cc2)C2CCOCC2)nnc1-c1ccoc1C 559196098 VWUZVJFIWQGZJF-FQEVSTJZSA-N 429.973 5.946 30 20 IKED Cn1c([C@H](NCc2ccc(Br)cc2C#N)c2ccccc2)nc2ccccc21 561892434 CTEBHEOSEOOKKF-JOCHJYFZSA-N 431.337 5.087 30 20 IKED N#C[C@H](C(=O)c1ccc2nccnc2c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 570577839 SORQUBMDJQFIMH-CQSZACIVSA-N 425.300 5.550 30 20 IKED COc1ccc([C@@H](CCC#N)N[C@H]2CCCc3c2[nH]c2ccc(Br)cc32)cc1 572319135 IBHRADGLFQJEAC-IRLDBZIGSA-N 438.369 5.951 30 20 IKED N#CCCOCCSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1 578859380 XICLRXTWEISTLC-UHFFFAOYSA-N 436.924 5.628 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CC[C@@](F)(c4cc(F)cc(F)c4)C3)cc2)ccn1 579821454 VYADSXBQRPLAJB-QHCPKHFHSA-N 438.409 5.126 30 20 IKED CC1(C)C[C@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c2ccc(F)cc2O1 589366970 QNYCZPIPDPEPNO-NRFANRHFSA-N 432.455 5.309 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2cnn(-c3ccccc3)c2)cc1Cl 603673424 VLDJQZGQKTVHRG-DEOSSOPVSA-N 440.934 5.752 30 20 IKED N#Cc1cccc(COc2cccc(/C=C3/CCn4c3nc3cc(Cl)ccc3c4=O)c2)c1 603748467 UDAPHPTVURWVLM-NDENLUEZSA-N 439.902 5.445 30 20 IKED CN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603829297 QDJFQBHBURXGIP-UHFFFAOYSA-N 426.398 5.428 30 20 IKED C=CCCCCCN(C)C(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1 606944665 TVUGRNQJSUOHJY-GOSISDBHSA-N 445.995 5.563 30 20 IKED CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 608116835 NACYYXSCLFKBPK-QWRGUYRKSA-N 442.375 5.013 30 20 IKED O=C(Nc1ccc(CC(F)(F)F)cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 608320414 HSTUROBMIBTMCJ-GHMZBOCLSA-N 436.318 5.822 30 20 IKED COCCCOc1cccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 608552920 SJZFRETVXRJDHJ-MRXNPFEDSA-N 434.439 5.220 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H](Cc1ccc(Cl)cc1)C1CCCCC1 608952899 MUBWNBPCIWQXSS-HSZRJFAPSA-N 439.987 5.170 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 609378297 AVTWNDJMQPMGLV-UHFFFAOYSA-N 429.807 5.525 30 20 IKED N#C[C@@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)c1ccccc1Br 609590669 DPUONJGDBKQVJA-QGZVFWFLSA-N 446.757 5.150 30 20 IKED COc1cc(C)sc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 609604569 OZBLDSXDNFGEOM-UHFFFAOYSA-N 437.468 5.255 30 20 IKED C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 609927773 LWXHZGWOXJCQEA-WMZHIEFXSA-N 443.522 5.881 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)c1C 610053690 IGGOIBJALOJTLM-CQSZACIVSA-N 429.307 5.074 30 20 IKED CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 610095390 RJBGKKITTUWDKD-HSZRJFAPSA-N 448.954 6.191 30 20 IKED C[C@H](NC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)c1cccc(C#N)c1 610364025 PMWNXHFBMLBPMN-KRWDZBQOSA-N 444.922 5.018 30 20 IKED Cn1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C(F)(F)F 613344219 BFKSCDBPPJMQRU-JTQLQIEISA-N 445.253 5.359 30 20 IKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)c12 613392455 OSBUHCUJOAXHCZ-FQEVSTJZSA-N 449.539 5.557 30 20 IKED CC(C)NC(=O)CSc1ccccc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 613407240 MXXNVWAVHCCPMK-HNNXBMFYSA-N 443.981 5.056 30 20 IKED N#Cc1ccc(N2CCC[C@H]2c2nc(Cc3c[nH]c4cccc(Br)c34)no2)cc1 615132931 DRAGDDVENMWLNC-IBGZPJMESA-N 448.324 5.117 30 20 IKED CC(C)(C#N)c1ccc(CN(Cc2cccc(Br)c2)C2CCOCC2)cc1 615647851 CJSUWTJSTZAGGJ-UHFFFAOYSA-N 427.386 5.431 30 20 IKED O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618450057 KVSZPELGTCKVBR-MPGHIAIKSA-N 448.382 5.568 30 20 IKED C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(OCc2ccccc2F)CC1 669809034 SDVWFHSYQUMJQC-UHFFFAOYSA-N 443.526 5.004 30 20 IKED CC(C)Cn1ncc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1C(F)F 677675180 XDRJGLOJHPYFLN-NXEZZACHSA-N 436.347 5.071 30 20 IKED C(=Nn1cnnc1-c1ccccc1)c1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 725856582 VCRRAEAKGJQTAY-UHFFFAOYSA-N 444.498 5.485 30 20 IKED CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=S)Nc1ccc(C#N)c(Cl)c1 726477523 WKLRDSMZVBOXEX-UHFFFAOYSA-N 444.000 6.687 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc(COc3ccccc3)cs2)c1 726498875 XJRONCPRLHJNKZ-UHFFFAOYSA-N 431.473 5.018 30 20 IKED C=CCOc1ccc(/C=C2/SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)cc1Cl 727490290 JTPCGPYOQHSPPU-YBFXNURJSA-N 444.965 5.269 30 20 IKED C#Cc1cccc(N(C(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)C(C)C)c1 728246838 KOKXDGMEWJMKHP-UHFFFAOYSA-N 427.529 5.405 30 20 IKED C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H](C)Sc2ccc(NC(C)=O)cc2)c1 728248656 SRIQRHTVHFKEHA-LJQANCHMSA-N 428.557 5.340 30 20 IKED C#Cc1ccc(C(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)nc1 728821748 ONXHQZKBEOJTRG-UHFFFAOYSA-N 429.863 5.203 30 20 IKED N#C[C@H](C(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1ccc2ccccc2n1 730688081 ZCXVBTIMIDZZFA-DFBJGRDBSA-N 430.866 6.024 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nc(-c2ccc(F)cc2)cs1 730948181 BJNXGVRIBYQYSN-CQSZACIVSA-N 443.594 5.932 30 20 IKED O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 731108158 HNYZRUPABYIQIV-SANMLTNESA-N 428.507 5.203 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c23)c1 733771343 SKUKNQKNUJXDBY-GOSISDBHSA-N 444.491 5.019 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)c1 733807033 QAZIRISJVNKQRN-UGKGYDQZSA-N 439.968 5.671 30 20 IKED C=CCn1c(-c2ccccc2F)nn(CN2CCC(Oc3ccc(F)cc3)CC2)c1=S 734476503 COYPOGSQERYSRH-UHFFFAOYSA-N 442.535 5.046 30 20 IKED COc1cc(/C=C(\C(=O)OCc2cc(Cl)ccc2OCC#N)c2ccccc2)ccc1O 735344874 SGPMPQXVMDAGMB-BKUYFWCQSA-N 449.890 5.241 30 20 IKED C#CCN(C(=O)Nc1nc2ccsc2s1)[C@H]1CCOc2ccc(Br)cc21 735577487 UOEUHEYHMVLNHW-AWEZNQCLSA-N 448.367 5.111 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)O[C@@H](C)c1nnc(-c2cccc(C)c2)o1 740330051 ZGJHGXDFOQQXLT-AWEZNQCLSA-N 432.398 5.547 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CN(CC1CC1)C(=O)OC(C)(C)C 742629325 BAOBVRQNJHCMPD-UHFFFAOYSA-N 449.551 5.031 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)o1 742635635 APXZRWVJKNGEOT-UHFFFAOYSA-N 433.464 5.221 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(CN3CCCCC3=O)cc2)cc1F 742963711 VEQZBKGWELOVNB-UHFFFAOYSA-N 443.478 5.254 30 20 IKED CN(C)c1cc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2ccccc2n1 743092957 INFTWGZISDYMGL-DEOSSOPVSA-N 435.531 5.278 30 20 IKED C[C@H](NC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(C(F)(F)F)c1)c1cccc(C#N)c1 743143327 KVQKCYKDJCRLRM-OAGGEKHMSA-N 446.473 5.073 30 20 IKED N#CCOc1ccc(CNC(=O)N[C@@H](c2cc(F)ccc2F)c2ccccc2Cl)cc1 743583317 QSSCUFOXMKGSDG-JOCHJYFZSA-N 441.865 5.109 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1C(F)(F)F 744038309 PXGICXPKBWPHDX-GXFFZTMASA-N 442.384 6.314 30 20 IKED N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 745948005 SEYDRNDJMHMTQW-GOSISDBHSA-N 431.319 5.557 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)cc1 746763323 DMIYNJGBVRKYMH-DNQXCXABSA-N 447.485 6.143 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 748003781 JZJAJQZOMIAYIU-LJQANCHMSA-N 448.504 5.022 30 20 IKED Cc1ccnc2[nH]c([C@H](C#N)C(=O)Cc3csc(-c4ccc(Cl)cc4Cl)n3)nc12 750721162 BCAHLRSWTJVDQZ-CQSZACIVSA-N 442.331 5.116 30 20 IKED Cc1sc([C@@H](C)NC(=O)Cc2ccc(OCC#N)cc2)nc1-c1ccc(Cl)cc1 755620034 OGZYOMCBJBULLQ-CQSZACIVSA-N 425.941 5.094 30 20 IKED Cc1ccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccc(C(C)(C)C)cc2)cc1 762444780 GRXGXGYILWNKSF-UHFFFAOYSA-O 428.581 5.775 30 20 IKED COc1ccc2c(c1)[C@@H](C(=O)[C@@H](C#N)c1nc(-c3ccc(Cl)cc3Cl)cs1)CC2 763944150 NSXRKTBYNDUBTF-MAUKXSAKSA-N 443.355 6.032 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SC[C@@H](O)c1ccc(C(F)(F)F)cc1 764680530 DNFHDPTXWZEFSG-LJQANCHMSA-N 449.498 5.196 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 767324336 NHHVHLSLKFUVJG-ICSRJNTNSA-N 431.458 5.085 30 20 IKED O=C1[C@H](/N=C\c2c(O)ccc3ccccc23)CCCN1Cc1cccc(C(F)(F)F)c1 776726171 VHDCQJDIVBQQBN-YOCJXBLGSA-N 426.438 5.174 30 20 IKED C[C@@H](NC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2cccc(C#N)c2)cc1 777817857 DOUIQMAJZQTEQU-QUCCMNQESA-N 433.552 5.050 30 20 IKED C[C@@H](C#N)Oc1ccccc1NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 779988098 AIOASWQPMKIGOP-SFHVURJKSA-N 439.475 5.350 30 20 IKED CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 785024512 VKHUBVAFXKDZMM-FTJBHMTQSA-N 439.559 5.069 30 20 IKED Cc1cc2c(Br)ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)c2o1 785881321 WNWUBOXRDUXJQT-ZDUSSCGKSA-N 431.673 5.118 30 20 IKED N#CCC[C@@H](NC(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1)c1ccccc1 787293416 NIYNABMLXBRBTE-AREMUKBSSA-N 439.559 5.392 30 20 IKED C#CCn1ccc(CN(CC)C(=O)Nc2cccc(Oc3cccc(C(F)(F)F)c3)c2)n1 788674770 HROFZNOHLOJNIR-UHFFFAOYSA-N 442.441 5.381 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(NS(=O)(=O)C(F)(F)F)c1 789891513 YSAXZEQVKBSLKE-UHFFFAOYSA-N 426.460 5.052 30 20 IKED C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1CCC([C@H](F)c2ccccc2F)CC1 796131272 BGNVBESNXLMSSN-YGRLFVJLSA-N 448.382 5.271 30 20 IKED C[C@@H](OC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 803924656 LXDVXOPITFTUMC-LLVKDONJSA-N 448.281 5.636 30 20 IKED C#CCN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 806426923 RLKXTRPTFAOYQL-UHFFFAOYSA-N 435.886 5.399 30 20 IKED C#C[C@@H](NC(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1ccc(Cl)cc1 810184847 CUXZEHKKCOMILO-JOCHJYFZSA-N 444.984 5.084 30 20 IKED CC(=NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1)c1ccc2nc(O)[nH]c2c1 812419474 LVAMGERBRFQWBS-UHFFFAOYSA-N 448.548 5.061 30 20 IKED N#CC[C@H](CC(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccccc1 814245956 PFRBKECLLFDNHE-XMMPIXPASA-N 438.571 5.249 30 20 IKED Cc1ccc2snc(C(=O)[C@H](C#N)C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)c2c1 816039258 RLMIYETZPYJJAW-NHYWBVRUSA-N 432.332 5.111 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c(C)c2c1 915088168 HWIMJJBTHFSBTB-VWLOTQADSA-N 436.511 6.171 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1nc2ccccc2[nH]1 915097843 BOSOQZNPFLSZLA-AWEZNQCLSA-N 425.275 5.334 30 20 IKED CC(=NNc1nccc2sccc12)c1ccc(OCC(=O)Nc2ccccc2C)cc1 915980263 RTADALLZQJQSNG-UHFFFAOYSA-N 430.533 5.458 30 20 IKED O=c1c2c3c(sc2ncn1N=Cc1ccc(-c2nc4ccccc4s2)o1)CCCC3 916288041 SWLONGSBDYADJJ-UHFFFAOYSA-N 432.530 5.089 30 20 IKED Cc1ccc(SCCC(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1C 916888100 URBRLSGWRSWHSW-GOSISDBHSA-N 434.533 5.448 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(NC(=O)c2cccs2)cc1 916916589 WVCZDKUQWDQOPR-FQEVSTJZSA-N 439.496 5.115 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(OCc2cccs2)c1 916931133 JGWXOWPWBJOVBI-QGZVFWFLSA-N 445.327 5.595 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc3nc(C(F)(F)F)ccc3c2C)cc1 917426773 PSYLDYVYSJBLTN-HNNXBMFYSA-N 431.439 5.147 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1cccc(Cl)c1 920108559 GTCQBMLTXQNFPE-SFHVURJKSA-N 426.303 5.362 30 20 IKED N#C[C@H](C(=O)CSCc1ccc(Cl)cc1Cl)c1nc2ccccc2n1C(F)F 920113325 VIBJAZDRBGPAFO-CYBMUJFWSA-N 440.302 5.848 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)c4ccccc34)n2)cc1 920141921 IYXFHWXDOCWCPQ-LJQANCHMSA-N 448.931 5.881 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5[nH]ccc5s4)cc3)CCC2)cc1 1789103264 WBQFKRHGEOEYAL-UHFFFAOYSA-N 440.528 5.163 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cccc(C#N)c3Cl)CC2)C1 1804865340 NKUQJHYCCZSNCS-UHFFFAOYSA-N 442.003 5.049 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(Cl)s2)n[nH]1 1815730616 AIIWPDQWUOSYIS-SJLPKXTDSA-N 447.004 5.128 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)s2)n[nH]1 1816399164 HTHJMTDRRMUBEB-ZBFHGGJFSA-N 432.977 5.199 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3[nH]c(C)cc3c2)[nH]n1 1819308822 DQLOMOQZGRKGSV-NZQKXSOJSA-N 445.567 5.274 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H](C)c2ccccc2)[nH]n1 1819309912 LCRKXTZFICDGFG-LSWJPFSZSA-N 434.584 5.364 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C(C)=C/c2ccc(C)o2)n[nH]1 1819490894 CQDXSSNZJYWLRW-OGMGGFLFSA-N 436.556 5.175 30 20 IKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)[nH]n1 1822400968 XXRPZTUPQCPZGF-LJQANCHMSA-N 445.548 5.055 30 20 IKED CC[C@H](C)[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C#N)CCC2)CC1)c1ccccc1 1826421465 ABXPJYISWRWYPX-GVXSCFBNSA-N 449.639 5.130 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccoc3s2)CC1 1827407986 VESVUXXPUGZLIC-NRFANRHFSA-N 440.609 5.496 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cnccc3c2)CC1 1829066629 OCBJJWSRMWBUBC-VWLOTQADSA-N 447.623 5.461 30 20 IKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)cccc2Cl)CC1 1830598641 IJJUPJWSACMSEP-QFIPXVFZSA-N 429.004 5.075 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)cc2F)CC1 1830773780 QLRTUTRSICBALQ-DVECYGJZSA-N 444.591 5.058 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnc(CCCCC)s3)CC2)C1 1831140799 XBSSTEPATOCWMQ-NRFANRHFSA-N 443.657 5.075 30 20 IKED Cc1csc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832629345 NMKRQYNDQCOCJH-XXBNENTESA-N 449.620 5.231 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@]2(F)CCCC=C2F)CC1 1832978237 JPWYDFWUWCSNGU-NBGIEHNGSA-N 436.587 5.344 30 20 IKED N#Cc1c(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)sc2c1CCCCC2 14738973 PJSDTTFQPVIEQI-UHFFFAOYSA-N 445.544 5.158 30 20 IKED CC(C)(C)c1ccc(-c2nnc(SC[C@@H](C#N)CCC#N)n2Cc2ccccc2)cc1 15235452 RAQMSNLOKOBFNW-HXUWFJFHSA-N 429.593 5.827 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc3ccccc23)nnc1-c1ccc(F)cc1 22100628 FKDQODPJMUMMFU-MRXNPFEDSA-N 432.524 5.543 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(C(C)C)cc2)cc1 22728704 NNMCIOFGWLGOEI-UHFFFAOYSA-O 437.654 6.471 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cc(C)ccc2C)cc1 22729655 SGDKEWYWFLXOEK-UHFFFAOYSA-O 439.551 5.873 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)N2CCCc3ccccc32)cc1 72074663 WUPRKKMGTKRRIT-SFHVURJKSA-N 427.504 5.139 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1Cl 107648053 KKDZLWSYVMPKRK-QHCPKHFHSA-N 443.934 5.370 30 20 IKED Cc1ccc(Sc2ncccc2C(=O)Nc2nc(C)c(SCC#N)s2)c(C)c1 107915473 YMGWBMFMMRSJDV-UHFFFAOYSA-N 426.592 5.483 30 20 IKED Cc1noc(C)c1CSCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N 216956561 PSQJERPXZURIKV-UHFFFAOYSA-N 425.941 5.283 30 20 IKED Cc1nn(Cc2ccccc2)c(C)c1CNCc1cccc(OCc2ccccc2C#N)c1 237640975 XRICXBJKJBKLOM-UHFFFAOYSA-N 436.559 5.289 30 20 IKED N#Cc1ccc(Sc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)nn1 301944642 WTZVDFXCYQRVGG-UHFFFAOYSA-N 425.304 5.054 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccc(OCc2ccccc2)cc1 303297035 CFGFRWVYKNQBRU-IBGZPJMESA-N 431.561 5.710 30 20 IKED Cn1ccc2c(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)cccc2c1=O 410375968 QVENVMUJFPTQAU-UHFFFAOYSA-N 429.863 5.108 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)c1-c1ccccc1 428906201 MSNKCPWWCUOXLB-UHFFFAOYSA-N 443.894 5.557 30 20 IKED N#CCSc1cccc(C(=O)Nc2nc(-c3cccc(Br)c3)cs2)c1 429963538 PRUQCJAJQYJGSL-UHFFFAOYSA-N 430.352 5.441 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)s1 430590957 JICDOHKSRUZBGN-CYBMUJFWSA-N 436.434 5.274 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCOC3(CCSCC3)C2)cc1F 434138928 TUJOGUGRVSBYJN-SFHVURJKSA-N 441.528 5.056 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CCc2nnc(-c3ccsc3)o2)cc1F 437484416 JKUOOIVHERNMEH-UHFFFAOYSA-N 434.452 5.172 30 20 IKED COc1cccc(C(C)(C)CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 441816954 FWTCMGNFSWTJSN-UHFFFAOYSA-N 443.547 5.440 30 20 IKED Cc1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)s1 441905088 IOSLJMKSXCACLU-IBGZPJMESA-N 449.507 5.162 30 20 IKED N#CCCSc1ccccc1NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 444010886 RBDKDXKBUIXJDJ-UHFFFAOYSA-N 432.423 6.103 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c2ccccc21 444142859 QQTYSGNSAIIPLO-UHFFFAOYSA-N 428.517 5.511 30 20 IKED CC(C)N(C[C@@H](O)COc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 445238078 KCRUHZDRAPBLIH-JOCHJYFZSA-N 445.519 5.033 30 20 IKED CN(Cc1ccccc1-c1ccccc1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446626222 BNXUCDDMSCZIDM-UHFFFAOYSA-N 440.547 5.152 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cccc(N3CCCNC3=O)c2)c1 464182221 PASCQMKIFVUZRZ-UHFFFAOYSA-N 446.894 5.176 30 20 IKED COc1ccc(C2CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)CC2)cc1 465060452 SXFXXWNTRLCYJA-UHFFFAOYSA-N 432.549 5.026 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 466449006 OCELMESAGLGUBK-QGZVFWFLSA-N 433.325 5.385 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3cccc(-c4cccnc4)c3)c2)c1 467166297 RRGHINPVJAHPOE-UHFFFAOYSA-N 447.498 5.194 30 20 IKED CSC[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(C(F)(F)F)cc1 469054067 QQYQCUSFOADDEB-HXUWFJFHSA-N 447.526 5.805 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@]3(C2)OCc2ccccc23)cc1F 473697046 LBZXDNHXHYVEHJ-RUZDIDTESA-N 429.451 5.153 30 20 IKED C=CCN(C(=O)c1cnn(C)c1SC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 477830235 XESMBYXBDCJOBC-UHFFFAOYSA-N 439.393 5.405 30 20 IKED C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 480363374 XWTPZWZNEOSZAI-ZMYBRWDISA-N 435.877 6.190 30 20 IKED O=C(NC[C@H]1CCCC[C@H]1C(F)(F)F)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 482215268 RBLJDZQSNJUHPJ-IAQYHMDHSA-N 437.359 5.129 30 20 IKED C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482429375 XCZZVDMUACOVAM-OASPWFOLSA-N 434.327 5.264 30 20 IKED C=CCN(CC1CCCCC1)C(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1 482820444 DPRXGMULNBDLFA-UHFFFAOYSA-N 425.594 5.177 30 20 IKED C=C(C)[C@H](NC(=O)N1C[C@@H](CC(=O)N(C)C)c2cc(Cl)ccc21)c1ccc(F)c(F)c1 483303083 LNPBOQDDQGVYAP-QRQCRPRQSA-N 447.913 5.027 30 20 IKED CC1(C)CN(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)CC[C@H]1C(F)(F)F 484166987 AICCIMCKBAJJPL-GFCCVEGCSA-N 432.336 5.332 30 20 IKED CC(C)c1c(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cnn1-c1ccc(Cl)cc1 485179805 QGVBSOVTRKTDBU-UHFFFAOYSA-N 435.959 5.963 30 20 IKED C=C[C@@H]1CCCCN1C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C 488392483 FCHZDUJEPYUFQI-LJQANCHMSA-N 431.458 5.839 30 20 IKED COc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1OCCCC#N 493886923 YXEYXUXAXPGKDD-VWLOTQADSA-N 427.504 5.144 30 20 IKED C[C@@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 495471131 SJNNQKALCVITQK-OAHLLOKOSA-N 428.517 5.212 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)NCc2ccc(OCc3ccccn3)cc2)c1 498751420 XIASMIIUNSJKJB-UHFFFAOYSA-N 449.510 5.041 30 20 IKED C=CCN(Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 499049457 ZWKNSJQGAKUSFS-SFHVURJKSA-N 449.576 5.024 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H](c4ncc5n4CCCC5)C3)c2)cc1 503122998 RDCBIJKNRSEJJF-HXUWFJFHSA-N 441.535 5.295 30 20 IKED CN(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 503428177 GDHWBCUCJWQXHI-UHFFFAOYSA-N 434.883 5.350 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccc3c(c2)OCCO3)cc1Cl 503685177 NFZOKOZQSILJOT-OAQYLSRUSA-N 447.922 5.131 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)CCCC(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 503877136 TXQRCYXRKKEHBT-UHFFFAOYSA-N 427.331 5.534 30 20 IKED C=CCN(C(=O)CCc1cccc(F)c1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 504397818 YKGOYPKQMUVRQR-UHFFFAOYSA-N 429.448 5.148 30 20 IKED COc1ccc([C@H]2C[C@H](NC(=O)c3ccccc3Sc3ccccc3C#N)C2)cc1F 506309064 ZBEPVSIOVWODHH-WGSAOQKQSA-N 432.520 5.533 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2csc(-c3ccc(C)cc3)n2)cc1 508132405 NGRILFAWIYJXTR-UHFFFAOYSA-N 431.561 5.114 30 20 IKED O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)[C@H]1CC[C@H](C(F)(F)F)C1 512535704 CNGXIWCSNDSEIN-QWRGUYRKSA-N 436.327 5.949 30 20 IKED COc1cc(F)c([C@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC 512561468 WWRMGIFLUIWZHI-HNNXBMFYSA-N 435.455 5.390 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1 512791978 HBZSMLDKCCBGDP-XMMPIXPASA-N 445.519 5.138 30 20 IKED CC(C)(CCC#N)CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 514888111 QAZOPDFBXPCFBO-JXAWBTAJSA-N 448.548 5.581 30 20 IKED CCCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C)[C@@H](C)c1cc2ccccc2o1 517794689 VCBOMHOVCARQCE-KRWDZBQOSA-N 433.508 5.030 30 20 IKED N#C[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1cccc(Cl)c1Cl 518709302 RWZPYIBDUHEJTD-GFCCVEGCSA-N 442.780 5.755 30 20 IKED C[C@H](COc1cccc(F)c1)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 523902644 ORISYAFIMYYNHY-GOSISDBHSA-N 435.474 5.016 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)cc1 524147135 UPBWTXPPBQLMLT-UHFFFAOYSA-N 441.560 5.282 30 20 IKED Cc1csc(Sc2ccc(NC(=O)N(C)Cc3cccc(C#N)c3)cc2Cl)n1 524232173 YTGPMDYKVHWECW-UHFFFAOYSA-N 428.970 5.792 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 534047978 LRLPOCOGYMPVOE-QHCPKHFHSA-N 434.442 5.040 30 20 IKED CCNC(=O)c1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c(C)c1 534174366 PWNJIYHULPMPJO-UHFFFAOYSA-N 433.895 5.314 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)c2cc(Br)cc(C(F)(F)F)c2)c1 534473151 PRBAIKDIFRGFTM-UHFFFAOYSA-N 435.146 5.193 30 20 IKED Cc1nnc(SCC(=O)N(CCC#N)c2cccc(Cl)c2)n1[C@H]1CCC[C@@H](C)C1 534607221 NMBBZEQSZVJJBP-BEFAXECRSA-N 431.993 5.030 30 20 IKED Fc1ccc([C@@H](CC(F)(F)F)NCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 538175588 NDJCEZGRDCWNBZ-OAHLLOKOSA-N 433.327 5.678 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)cc1 539129291 QQLDCXUMLMYHRP-UHFFFAOYSA-N 444.922 5.093 30 20 IKED Cc1ccccc1NC(=O)[C@H]1CCc2ccccc2N1C(=O)c1ccc(C#N)c(Cl)c1 547952604 TYNIPWSOSHUTAA-HSZRJFAPSA-N 429.907 5.120 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 549274971 TVQQDODVJBXPGG-SFYKDHMMSA-N 436.531 5.100 30 20 IKED N#Cc1ccc(Cl)c(C(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)c1 552367474 VSHFAEONIODAEU-KRWDZBQOSA-N 426.948 5.127 30 20 IKED C[C@H](Nc1cc(N[C@@H](C)c2ccc(C#N)cc2)c([N+](=O)[O-])cc1C#N)c1ccc(C#N)cc1 553310014 RXNOVYPPAVQCCF-IRXDYDNUSA-N 436.475 5.556 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 558451139 UCISEPIIKFMEHC-ICPLQIHGSA-N 436.506 5.111 30 20 IKED CC1(C(=O)N2CC[C@](F)(c3ccccc3F)C2)CCN(c2ccc(Cl)cc2C#N)CC1 562868664 MJSNCBOIFOLEPL-XMMPIXPASA-N 443.925 5.055 30 20 IKED COc1ccc([C@H](NC(=O)N2CCC(CC#N)CC2)c2ccc(C(F)(F)F)cc2)cc1 565559098 IZPQKLDYQUOABN-OAQYLSRUSA-N 431.458 5.139 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2ccc(N3N=C(Cc4ccccc4)CC3=O)cc2)cc1 574186303 XYOHPVGXFHAQHS-UHFFFAOYSA-N 436.515 5.075 30 20 IKED Cn1cc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c(-c2ccc(Cl)s2)n1 576320537 ALXAQZDSKBRUCK-UHFFFAOYSA-N 435.896 5.113 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)c1 589793165 SNMZBXYQLXCDKQ-VWLOTQADSA-N 440.499 5.232 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCCCC(=O)c1ccccc1 590317304 YFZPPEKWJXOLQE-UHFFFAOYSA-N 426.516 5.828 30 20 IKED N#C[C@@H](C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1nc2cc(F)ccc2s1 592974056 NCUDVLAOXNBULF-IBGZPJMESA-N 425.488 5.928 30 20 IKED CC(C)Oc1ncccc1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603817777 XDBBRAOUQSKOEI-NRFANRHFSA-N 434.927 5.499 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cc1Cl 604316378 BNYVBEDHOPOQJQ-PZJWPPBQSA-N 435.915 5.015 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4nc5cccc(C)c5[nH]4)cc3)o2)cc1 605363238 QAYYMIMNOUKVEF-HXUWFJFHSA-N 433.471 5.387 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3ccc(-c4nc5ccccc5s4)s3)CC2)c1 609184603 KKMOTURICIKLBA-UHFFFAOYSA-N 445.569 5.580 30 20 IKED C[C@H]1Cc2ccccc2N1C1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 609435571 YGSUDPGYNYDBOA-RBUKOAKNSA-N 434.609 5.528 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc(CN4CCCCC4=O)c3)cc2)cc1 609502648 TYWSCGRNXZUZGZ-UHFFFAOYSA-N 439.515 5.310 30 20 IKED Cc1nc(C(C)(C)NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)sc1C 609909138 YOQXOIKIMILASO-UHFFFAOYSA-N 425.941 5.742 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(OC)c1 613346119 DQMOENOVDBKVPF-OAHLLOKOSA-N 433.316 5.624 30 20 IKED N#C[C@H](C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc2ccccc2o1 614439877 SNBXYHLRUILLLU-LJQANCHMSA-N 438.874 5.824 30 20 IKED N#Cc1ccc(N2CCC[C@H]2c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)cc1 614970074 SPAHRYIOTUHPQN-NRFANRHFSA-N 427.439 5.276 30 20 IKED Cc1ccc([C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c2ccccn2)cc1 619312372 RQNXUEPBRCKIGA-RUZDIDTESA-N 435.487 5.360 30 20 IKED C=CCN(C(=O)c1ccc(N(C)C)nc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 642132183 LRUOHIMQCILOPV-UHFFFAOYSA-N 433.364 5.411 30 20 IKED N#C[C@H](C(=O)c1cccc(NC(=O)c2cccs2)c1)c1nc(-c2ccccc2)cs1 642281638 OAQAXRKKFXXXGF-GOSISDBHSA-N 429.526 5.614 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccc(OC(F)(F)F)cc3)n2)cc1 727632130 PBPADFUWWKLEPG-SFHVURJKSA-N 446.450 5.526 30 20 IKED N#C[C@H](C(=O)CN1CCC[C@H]1c1ccccc1C(F)(F)F)c1nc2ccccc2s1 728058279 CDHGCTVRTZSVEE-QAPCUYQASA-N 429.467 5.328 30 20 IKED N#C[C@H](C(=O)CCCOc1cccc(Br)c1)c1nc2cc(F)ccc2s1 730420386 CVKJOCODISQZDN-OAHLLOKOSA-N 433.302 5.233 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)Cc2csc(-c3ccc(C(C)C)cc3)n2)cc1 732071988 BVHLITNHFYSUBZ-UHFFFAOYSA-N 433.577 5.822 30 20 IKED Cc1cc(C(=O)N[C@H](C#N)c2ccccc2Br)c(C)n1[C@H](C)c1ccccc1 733267519 YHCZKNAKESKARN-OPAMFIHVSA-N 436.353 5.471 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C[C@@H](C)N1C(=O)OC(C)(C)C 733620577 AXKNJOLURVKRRQ-DNVFCKCGSA-N 448.567 5.204 30 20 IKED C#CCN(C(=O)Nc1cccc([C@@H](C)OC)c1)[C@@H]1CCOc2ccc(Br)cc21 733632026 NPYFHDVITAKFDP-FOIQADDNSA-N 443.341 5.147 30 20 IKED N#CCOc1ccc(Cl)cc1CSc1nc(-c2ccc(Br)cc2)n[nH]1 735230683 OPVIGLLQHXYDDV-UHFFFAOYSA-N 435.734 5.082 30 20 IKED CCOC(=O)N1[C@H](C(=O)Nc2ccccc2SC[C@H](C)C#N)CC[C@@H]1c1ccc(C)o1 736480067 VOFUPLVHFIZBPV-LZQZEXGQSA-N 441.553 5.141 30 20 IKED COc1cc(C=NOCc2ccc(OC)c(SC(F)(F)F)c2)ccc1OC(F)F 742352060 SFTDTSHEJUTZBW-UHFFFAOYSA-N 437.386 5.468 30 20 IKED C[C@H](c1ccccc1Cl)N(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C1CC1 743093510 VNBHRMQQXCNVIK-KOSHJBKYSA-N 429.951 6.753 30 20 IKED COc1ccc(Br)cc1CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 744035856 SWOFBOHHNBQOCJ-ZDUSSCGKSA-N 435.730 5.140 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(c4cc5ccccc5[nH]4)CC3)cn2)c1 744773815 RMRYIQARMAFTTP-UHFFFAOYSA-N 437.503 5.638 30 20 IKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc(Oc2ccccc2)ccn1 745947584 FRIKFNLTAJFSQB-SFHVURJKSA-N 426.259 5.142 30 20 IKED COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)OC[C@@H](C#N)Cc1ccccc1 750787911 UDHXCLJPSGWJLQ-MRXNPFEDSA-N 444.915 5.235 30 20 IKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2cc(Cl)ccc2SC2CCCC2)n1 755039310 JDEGZEKVKGBAQX-MRXNPFEDSA-N 434.970 5.173 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CCc3c(Cl)cccc3C2=O)cs1 758038365 CZTPNDCIUPVVCR-KAMYIIQDSA-N 426.900 5.833 30 20 IKED Oc1cc(Cl)c(C=NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1Cl 758108886 FGJCYUNDZLDQGH-UHFFFAOYSA-N 428.201 5.016 30 20 IKED CCOc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)cc2)cc1 761814217 BEHTZLBINZOLSK-VWLOTQADSA-N 443.503 5.355 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)c3ccc(-c4nc5ccccc5s4)s3)CCO2)c1 762309320 FEMMDULITYCPAF-GOSISDBHSA-N 431.542 5.110 30 20 IKED N#Cc1ccccc1COc1cccc(/C=C\C(=O)c2cc(Br)ncc2F)c1 762426207 OEXALKXICYDIJH-HJWRWDBZSA-N 437.268 5.330 30 20 IKED CCN(C(=O)C[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C)c1ccc(C#N)cc1 763296900 FBRKUXUVLXNKOM-CNNODRBYSA-N 427.589 5.141 30 20 IKED CC(C)n1cc2c(n1)[C@H](NC(=O)N[C@H](C)c1ccc(-c3cccc(C#N)c3)cc1)CCC2 765892141 HQWDCHMGDHDZPL-HOYKHHGWSA-N 427.552 5.440 30 20 IKED COc1cc(C#N)ccc1NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 766644289 KTDYHZSDNDBJQD-NTKDMRAZSA-N 445.544 5.060 30 20 IKED N#CCCN(CC1CC1)C(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 772469205 GDUBLGXMFPFMPL-UHFFFAOYSA-N 434.721 5.056 30 20 IKED C[C@@H](Cc1ccccc1)n1cccc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 773767253 APCGILMJQWYMCL-MAUKXSAKSA-N 440.330 5.560 30 20 IKED C[C@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 774796440 HROKRXJQCHIMSS-YUMQZZPRSA-N 426.307 5.079 30 20 IKED C=CCN(CCc1ccco1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 779051750 GJJYIZCHZOYPGB-UHFFFAOYSA-N 425.529 5.230 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1 780934249 IQGDMVOVACQKIM-NTKDMRAZSA-N 446.572 5.722 30 20 IKED N#Cc1ccc([C@@H](O)C(=O)Nc2c(Oc3ccc(Cl)cc3)ccc3ncccc23)cc1 781002345 SYFQCOBBOANQPR-HSZRJFAPSA-N 429.863 5.224 30 20 IKED N#CCC1CCN(Cn2nc(SCc3cccc4ccccc34)sc2=S)CC1 781572043 LDJXWYILSZGNEB-UHFFFAOYSA-N 426.636 5.703 30 20 IKED Cc1cc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c(C)n1[C@@H](C)c1ccccc1 783865195 AXBACSGIHLPLQD-HLJPNSHOSA-N 442.563 5.101 30 20 IKED COc1ccccc1-c1ncc(/C=C2\Cc3c(Cl)cc(Br)cc3C2=O)cn1 792885621 HPZWIWONLUZHES-AWNIVKPZSA-N 441.712 5.391 30 20 IKED CC(C)[C@H](Oc1ccc(Br)cc1)c1noc(Cc2ccc(OCC#N)cc2)n1 795760104 NXJHXNAKPSTQJO-FQEVSTJZSA-N 442.313 5.101 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)cc1 798047575 NZEYPXWJPPYLLD-OYUWMTPXSA-N 445.522 5.106 30 20 IKED C=CC[C@H](OC(=O)C1CCN(C(=O)[C@@H](C)CSC)CC1)c1ccc(Cl)c(Cl)c1 799378482 KLOKDXYIXWQPKI-LIRRHRJNSA-N 444.424 5.392 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)c1=S 800866319 DXYZJGUPOBSXDA-NUNAXRQHSA-N 431.609 5.420 30 20 IKED COCCCn1nccc1/C=C/C(=O)c1sc(-c2ccc(Br)cc2)nc1C 802705134 VCYYSZCQNXNZPS-CMDGGOBGSA-N 446.370 5.010 30 20 IKED C[C@@H](CO)N(C[C@H](C)c1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 806200570 HHMIQGJFNPHZBB-WOVHNISZSA-N 427.548 5.360 30 20 IKED Cc1cc(COc2ccc(/C=C\C(=O)c3cc4c(C)nn(C)c4s3)cc2)oc1C(=O)O 806579185 YRYRARCMTJWHBQ-TWGQIWQCSA-N 436.489 5.018 30 20 IKED CC[C@@H]1[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)CCN1C(=O)OC(C)(C)C 810534144 HXGVYCSWMKEIEP-ZHALLVOQSA-N 425.554 5.022 30 20 IKED COc1ccc(CCN2C(=O)/C(=C\c3ccc(C#N)cc3C(F)(F)F)SC2=S)cc1 811624908 WNZOWZWZQJIRIN-WOJGMQOQSA-N 448.491 5.030 30 20 IKED N#CCSc1ccccc1C(=O)Nc1nc(-c2cccc(Br)c2)cs1 871595511 NQLZEBNRHWDPGI-UHFFFAOYSA-N 430.352 5.441 30 20 IKED C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(-c2cccs2)nn(CN(CCC#N)CCC#N)c1=S 915794581 XXQDLIJFTAHSHN-CADBVGFASA-N 440.642 5.227 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)CCN2c3ccccc3Sc3ccccc32)c1 916896936 QUVPHSXGEZNKAN-LJQANCHMSA-N 427.529 5.335 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(COc2ccccc2)cc1 916901118 YXOHNMFONBTHKM-XMMPIXPASA-N 426.516 5.352 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 916925427 JUGZJXPHURTJKT-NJBZPOFQSA-N 434.492 5.314 30 20 IKED CCCCc1oc2ccccc2c1/C=C/C(=O)[C@@H](C#N)C(=O)Nc1ccccc1OCC 916926312 XOCDKKDEQNQRIF-UHPIZROJSA-N 430.504 5.535 30 20 IKED N#C[C@H](C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)c1nc2ccccc2n1C(F)F 917041055 OMLHRYAZASMPLJ-FPISAVPCSA-N 437.446 6.189 30 20 IKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(Nc2cccc(OC)c2)sc1=S 917457168 BRGZTWSYNCRFDZ-UHFFFAOYSA-N 425.583 5.168 30 20 IKED COc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3cccs3)cc2F)c(OC)c1 917542622 ITCASXLQLYWFKA-UHFFFAOYSA-N 440.525 5.001 30 20 IKED C#Cc1cccc(NC(=O)CNC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c1 918342631 PBGOLBZASBDGSI-UHFFFAOYSA-N 437.735 5.211 30 20 IKED Cc1ccc(Br)c(NS(=O)(=O)c2cccc(N=Cc3ccccc3O)c2)c1 920942732 KPWXUYYDJKSHFP-UHFFFAOYSA-N 445.338 5.015 30 20 IKED COc1ccc(N(Cc2ccc(C(C)C)cc2)C(=O)c2cc(C#N)c(SC)nc2O)cc1 1347697489 GVQSYYFYRRKDCW-UHFFFAOYSA-N 447.560 5.360 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)CCOc3ccc(C)cc3)cc2)CCC1 1785969709 RZGRLXNLDCVTRM-UHFFFAOYSA-N 442.506 5.109 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)s3)cc2)CCC1 1787325708 DQYZEEGNKRWSBF-UHFFFAOYSA-N 432.973 5.132 30 20 IKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4ccc(F)cc4F)cc3)CCC2)c1 1790332980 HMURDHZNPSRWHN-UHFFFAOYSA-N 449.432 5.037 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)C3(C(F)(F)F)CCC3)CCC2)cc1 1791299839 JNOWTHQAWSOCLR-UHFFFAOYSA-N 430.417 5.065 30 20 IKED Cc1ccccc1-c1ncccc1C(=O)NC1(c2ccc(NC(=O)[C@H](C)S)cc2)CCC1 1791573627 DBIFTFFMJGEUGI-SFHVURJKSA-N 445.588 5.123 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C4CC(C)(C)C4)cc3)CCC2)c1 1791653148 VMAHTILUBCPAKX-GOSISDBHSA-N 429.564 5.498 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2OCC)[nH]n1 1814441535 MIQOPIICNWRUQQ-HXUWFJFHSA-N 438.572 5.107 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ccoc23)[nH]n1 1814443804 ARFVHDBHNPUHJE-FQEVSTJZSA-N 434.540 5.454 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)ccc2Cl)n[nH]1 1821122570 JDKWYYPDOHXKFN-FQEVSTJZSA-N 444.938 5.277 30 20 IKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(CC(C)C)cc2)[nH]n1)C(F)(F)F 1821993978 NLHHBWAJBYKTRM-IBGZPJMESA-N 448.489 5.033 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(C)CCCCC3)[nH]n2)c1 1823216233 DWQWZZCRSIQCOO-GCJKJVERSA-N 447.583 5.313 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc(C(F)F)c2)CC1 1828821675 PKUMSOPODNVTDQ-RBBKRZOGSA-N 445.554 5.021 30 20 IKED C=CCc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc(OC)c1OC 16171368 XMMRMYNMCYDVEP-SFHVURJKSA-N 445.515 5.283 30 20 IKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2ccccc2)c1 20834570 JIYDBWRSVBXATM-UHFFFAOYSA-O 430.380 5.949 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)nnc1-c1ccoc1C 22164965 RXBUEYVCJLBWKH-QFIPXVFZSA-N 444.560 5.813 30 20 IKED CCn1c(SCc2ccc(-c3ccccc3C#N)cc2)nnc1-c1ccccc1OC 22415883 VQUATEZBNOUOCB-UHFFFAOYSA-N 426.545 5.805 30 20 IKED C=CCN(CC(F)(F)F)C(=O)c1cc2cc(Br)cc(Br)c2o1 64395001 KXNXNPNHCVZGJH-UHFFFAOYSA-N 441.041 5.148 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2)cc1Cl 195622720 LTJBYEXRPPNTHY-LADGPHEKSA-N 443.934 5.239 30 20 IKED COc1cc(C(=O)/C=C\c2cccc(NC(=O)C(F)(F)F)c2)ccc1SC(F)F 214924967 FQJHJXTWHVXQLX-ALCCZGGFSA-N 431.382 5.407 30 20 IKED N#Cc1cc(Sc2nnc(-c3cccc4ccccc34)o2)nc2ccc([N+](=O)[O-])cc12 302710833 ZMKQNQHVVWHCQH-UHFFFAOYSA-N 425.429 5.369 30 20 IKED C#CCOc1ccc(F)cc1NC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 303915462 NFFZKDLJCVEAEI-AWEZNQCLSA-N 444.915 5.407 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1cnccc1-c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 430033885 LMAGDVHJUARVFB-LJQANCHMSA-N 446.510 5.103 30 20 IKED CC[C@H](C)n1c(SCC(=O)Nc2ccc(C#N)cc2Cl)nnc1-c1ccccc1 430353920 JKDNDPVAECONQC-AWEZNQCLSA-N 425.945 5.172 30 20 IKED COc1ccccc1CSc1ccccc1NCc1nnc(-c2ccc(C#N)cc2)o1 431212137 SXDVPAMMSNXZRW-UHFFFAOYSA-N 428.517 5.521 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1ccccc1 435609752 BTDQZAVGPUZFKQ-RUZDIDTESA-N 448.588 5.631 30 20 IKED CCN(Cc1ccc(OC)cc1OC)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438663880 FRRKOGPTVJUCMG-UHFFFAOYSA-N 449.482 5.561 30 20 IKED CCCc1c(NC(=O)N2CC[C@H](C)[C@@H]2c2cccc(F)c2)cnn1-c1cccc(C#N)c1 439688272 PWLSSYWXAKYERQ-BXKMTCNYSA-N 431.515 5.451 30 20 IKED C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 460812552 JVRYUOCSHBHEIC-KNQAVFIVSA-N 426.605 5.217 30 20 IKED C[C@@H]1C[C@H](c2ccccc2F)N(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)C1 461653368 BELAIZOJNUWPHS-MEKIYTOJSA-N 445.542 5.112 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)c2cccc(Br)c2)cc1 462253420 FBABNERBGLKCLL-INIZCTEOSA-N 427.342 5.006 30 20 IKED N#C[C@@H](C(=O)c1ccc(Br)c(C(F)(F)F)c1)c1cc(C(F)(F)F)ccn1 464427206 PBLUQQQHPHMKPA-SNVBAGLBSA-N 437.137 5.372 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1cc(C(F)(F)F)ccn1 464429326 VEZWSTVXBJBQMW-ZDUSSCGKSA-N 440.299 5.749 30 20 IKED CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 465298559 WDCFSTIWYIIUMA-UHFFFAOYSA-N 446.478 5.626 30 20 IKED C[C@H](NC(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(C#N)cc1 465655833 GJUJIBYDZKFTET-ZDUSSCGKSA-N 430.455 5.261 30 20 IKED C=C(C)C[C@H](C)C(=O)Nc1ccccc1NC(=O)c1ccccc1I 466241049 TUFATUGGUNMWSK-AWEZNQCLSA-N 448.304 5.084 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 470900349 APKNDIUTYIGVTG-KUHUBIRLSA-N 434.952 5.203 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 471318626 FJDFIUMTTSPCCH-FUHWJXTLSA-N 441.919 5.301 30 20 IKED C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 473642683 PYMCKSJZQYCKLZ-MYGHRHJXSA-N 433.533 5.313 30 20 IKED CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CNc1ccccc1Oc1ncccc1C#N 475169832 BAJIBSGRNLLRFC-UHFFFAOYSA-N 441.318 5.123 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 475582047 MDBRWJWCGGZHLF-UHFFFAOYSA-N 439.987 5.572 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 475986935 LFGXASKXAAAKEB-UHFFFAOYSA-N 439.437 5.323 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 476125135 AATATGQZOBUKAF-OFVILXPXSA-N 438.568 5.207 30 20 IKED CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 479941496 NPRFPDPLNFLSNV-QFIPXVFZSA-N 441.600 5.304 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(NC(=O)c4ccccc4)c3)c2)cc1 482967623 XBHLSSGSVPYEIB-UHFFFAOYSA-N 433.467 5.855 30 20 IKED N#C[C@@H](C(=O)c1coc(-c2ccc(Br)cc2F)n1)c1nccc2ccccc12 483231236 ISJHTMOPLBBUCB-MRXNPFEDSA-N 436.240 5.281 30 20 IKED C[C@H](NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)c1ccccc1Oc1ccccc1 483617984 HDPNWKOINGOIRV-MSOLQXFVSA-N 449.532 5.047 30 20 IKED CCc1c(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cnn1-c1cccc(Cl)c1 485341874 NKKMYYDDURKTLC-NFBKMPQASA-N 433.943 5.392 30 20 IKED C[C@H](CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1c[nH]c2ccccc12 495098007 LUVXDFVIYJIKNM-CQSZACIVSA-N 433.562 5.316 30 20 IKED C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccccc1SC[C@H](C)C#N 498413350 KBJWVLJCHGZGSK-OLZOCXBDSA-N 436.364 5.002 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1oc2ccccc2c1CSc1ncccn1 499778511 QAMXDZRJRWDLEW-UHFFFAOYSA-N 430.489 5.038 30 20 IKED COc1cc(C(=O)N(Cc2ccco2)c2ccccc2C#N)ccc1OCc1cscn1 500999574 PYZOJOKXUDXMEP-UHFFFAOYSA-N 445.500 5.042 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 501859590 DGWUZOFEIKKDFX-QHCPKHFHSA-N 441.510 5.540 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN2CC=C(c3ccc(C#N)cc3)CC2)cs1 502523523 RCCSJOCPTDDWBY-UHFFFAOYSA-N 442.588 5.606 30 20 IKED COc1cccc([C@H](CNC(=O)Nc2cccc(C#N)c2)c2c[nH]c3ccccc23)c1OC 503714972 GJJRKVWBEDXLCG-QFIPXVFZSA-N 440.503 5.010 30 20 IKED Cc1cc(NC(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)nn1CCC#N 504293857 UTNWISVYNHPRFQ-HXUWFJFHSA-N 429.307 5.171 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC(CCCN4CCCC4)CC3)cc2)cc1 505280271 UCLZYFSBLPKSLQ-UHFFFAOYSA-N 431.580 5.273 30 20 IKED O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)c1cc(F)c(F)cc1Br 505427242 FMPSHAGNQDGXGK-CYBMUJFWSA-N 430.117 5.039 30 20 IKED COc1c(Cl)cc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1Cl 506288779 JDLYAJKJDXFKRT-UHFFFAOYSA-N 443.334 5.648 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1nc(C(F)(F)F)cs1 507596292 CQGAXSYGZHIKQT-LLVKDONJSA-N 431.530 5.286 30 20 IKED COc1ccc(CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C2CC2)cc1 508252179 PERBAMXJIQCMPT-UHFFFAOYSA-N 443.503 5.564 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@@H]3c3ccc(F)cc3)c2)c1 511457106 AIEBNVXWJULVPR-HSZRJFAPSA-N 428.467 5.319 30 20 IKED CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2cccc(COc3ccccc3C#N)c2)c1 513266836 JIGGLPKKQYAKFM-LJQANCHMSA-N 441.531 5.052 30 20 IKED Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)c12 514912671 XUKNZEKZBJFKSV-UHFFFAOYSA-N 437.484 5.446 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(CC)cccc2CC)nnc1-c1cccc(C)c1 514955328 RIWDZYQMRLRTNT-SFHVURJKSA-N 434.609 5.684 30 20 IKED N#C[C@@H](C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)c1nc2ccccc2o1 515597266 FFEJJZDJYKJLSV-SFHVURJKSA-N 430.895 5.426 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(Cc4ccccc4Cl)c3)n2)cc1 516270012 KCYWSIJGMZKVBC-LJQANCHMSA-N 448.935 5.207 30 20 IKED Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Nc1ccccc1S[C@H](C)CC#N 518255626 HPJBHTZIKJERPI-QGZVFWFLSA-N 433.581 5.264 30 20 IKED C[C@H](NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1ccc2ncsc2c1 519561748 NUCIASBSRXICOJ-HNNXBMFYSA-N 438.984 5.305 30 20 IKED CCCCN(Cc1ccccc1Cl)C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 520846874 NMXXSDFWZSJQSB-QGZVFWFLSA-N 444.000 5.359 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(COCc2ccco2)c1 520939257 OTUAOOZMMGSNPA-GOSISDBHSA-N 435.549 5.712 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NC3CCC(Oc4ccccc4C#N)CC3)c2)cc1 521964801 OJPMDTVOBSAJGU-UHFFFAOYSA-N 437.499 5.342 30 20 IKED C[C@H]1CCCCN1C[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 522842432 WEYLKAQKWIFKQP-RBBKRZOGSA-N 432.568 5.469 30 20 IKED COc1cc(CSCC(=O)Nc2ccc(C)cc2)ccc1OCc1cccc(C#N)c1 523936892 QECKLPCFOHVTOY-UHFFFAOYSA-N 432.545 5.326 30 20 IKED COc1ccc(C[C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OC 525606234 TZFJKOJKRWZSCJ-GOSISDBHSA-N 446.572 5.229 30 20 IKED N#Cc1ccc(NC(=O)C(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)cc1Cl 527130674 FTKRVOADKHWLLO-UHFFFAOYSA-N 449.860 5.140 30 20 IKED C=C[C@H](CC(=O)N[C@@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1 533956810 OAPMENBMDQOTTF-ZBLYBZFDSA-N 447.600 5.218 30 20 IKED Cc1cc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1NC(=O)c1cccs1 533956850 OIQCILSLTFMJOI-RBBKRZOGSA-N 429.545 5.221 30 20 IKED CC(=O)N1CC[C@H](NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c2ccccc21 534163092 BUMZFJCSYZMKEV-NRFANRHFSA-N 445.906 5.232 30 20 IKED COc1ccc(CS[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1C#N 535394956 YDCJAHIZVULLLX-NSHDSACASA-N 428.863 5.499 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(Br)cc2cccnc12 536186212 YOYUJIKAQIZOFK-CYBMUJFWSA-N 426.339 5.644 30 20 IKED Cc1nn(C)c(C)c1CCCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 537102773 UNHJUOFPEUFBFB-UHFFFAOYSA-N 437.931 5.109 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)n1 539681042 VIUCOWYQBWDLHX-OAHLLOKOSA-N 435.578 5.811 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)s2)cc1 540617489 XFSFAILVXKJLGQ-XLIONFOSSA-N 441.915 5.114 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1C(=O)c1ccc(F)c(F)c1 542150523 WXOAUZGCBHHVHM-OAHLLOKOSA-N 436.483 5.700 30 20 IKED Cc1cc(Cl)ccc1Oc1ccc(C[S@@](=O)CCCC2(C#N)CCOCC2)cc1 542857715 CHEYGJMCZXZONJ-LJAQVGFWSA-N 431.985 5.790 30 20 IKED N#C[C@@H](C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)cs1 542880474 FWJGUXBKKURJAH-ZDUSSCGKSA-N 449.822 5.463 30 20 IKED Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542923616 YEBDUBGGTZGQHO-GOSISDBHSA-N 438.531 5.309 30 20 IKED C[C@@H](NCC(=O)Nc1ccccc1Br)c1ccc(-c2cccc(C#N)c2)cc1 543873740 FRPXSLBDUGJHMJ-MRXNPFEDSA-N 434.337 5.277 30 20 IKED N#Cc1ccc(OCc2nc(-c3ccccc3-c3ccc(Cn4cccn4)cc3)no2)cc1 545617537 NDPRCZGURNFRSK-UHFFFAOYSA-N 433.471 5.099 30 20 IKED C[C@H](NC(=O)N1CCC([C@](C)(O)C(F)(F)F)CC1)c1ccc(-c2cccc(C#N)c2)cc1 545945468 PRQHMXZJWOKZQM-HJPURHCSSA-N 445.485 5.021 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 548828183 WCJRCQRZTYFAGL-UXHICEINSA-N 442.485 5.003 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NCc3ccc(Br)cc3C#N)s2)cc1 553910037 DULWZWGQIVWRQX-CYBMUJFWSA-N 442.382 5.612 30 20 IKED CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 554265833 KVTLGZAWVUTMFT-UHFFFAOYSA-N 434.427 5.104 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 554422118 PQWSONDSBVRSGW-GOSISDBHSA-N 431.458 5.033 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NCc3ccccc3OCC(F)(F)F)cc2)ccn1 555007475 KLDBSUNQYICDOC-UHFFFAOYSA-N 442.397 5.008 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC([C@@H]2CCCO2)CC1 555264602 AFBKZATUGODGKA-UWJYYQICSA-N 430.980 5.043 30 20 IKED C[C@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(Oc2ccccc2)c(F)c1 558651444 GEVJGMDCOCUQFN-IBGZPJMESA-N 444.510 5.341 30 20 IKED C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N(C)Cc1csc([C@@H](C)OCC)n1 558996480 HKVLQRKWJFJOMJ-MRXNPFEDSA-N 429.565 5.159 30 20 IKED CC(C)(CCC#N)CNC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 568316320 VCVRBRFLZPDZLK-UABBMWSGSA-N 438.456 5.555 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 570361956 KXRDCJPJOUESKP-HDICACEKSA-N 431.458 6.244 30 20 IKED C=CCN(C(=O)c1cnn(CCF)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 571319740 ZBIQGKKDXNHJLQ-UHFFFAOYSA-N 432.524 5.476 30 20 IKED C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CCO[C@H](c2ccccc2Cl)C1 571465480 XPIFWENTIMAKLR-JBACZVJFSA-N 445.007 5.004 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2 575067055 UBDKLKFDJXHSFQ-AAVRWANBSA-N 449.313 5.039 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1)[C@H]1C[C@@H]1C 577533754 WQBYLUHBFDYTDB-QYBDOPJKSA-N 439.515 5.151 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCCC[C@@H]3c3nnc(C4CCC4)o3)cn2)c1 588993291 FKLQEGHXGALDER-HXUWFJFHSA-N 444.495 5.155 30 20 IKED C=CCn1c(SCc2csc(-c3ccccc3F)n2)nnc1-c1ccccc1OC 590449337 CFOUUFFAHNLHRR-UHFFFAOYSA-N 438.553 5.695 30 20 IKED C=CCOc1ccc(C(=O)N2CCC(c3nc(-c4ccccc4)cs3)CC2)cc1OC 599255289 PTFRNXLVHOKDOM-UHFFFAOYSA-N 434.561 5.403 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 601186440 RGESATAROCKNTK-UHFFFAOYSA-N 426.907 5.206 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)ccc1OC(C)C 603693501 XFWXUOGFOSFHRJ-QGZVFWFLSA-N 446.507 5.424 30 20 IKED CCC(=O)Nc1cccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 603831663 ZVGPKCRFMYYLCI-UHFFFAOYSA-N 442.519 5.002 30 20 IKED Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 604003157 GOLNLHFWVUYQOH-SFHVURJKSA-N 434.923 5.700 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ncc(-c4ccccc4)o3)cc2Cl)cc1 604089559 DMTMPTSKRBXQRI-UHFFFAOYSA-N 444.878 5.981 30 20 IKED C=CCOc1ccc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 605103163 KMYQQAMPJQYELY-UGKGYDQZSA-N 432.486 5.083 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)[nH]c12 605363587 NAVAVXWNNVDQBV-QGZVFWFLSA-N 436.393 5.568 30 20 IKED CC(=O)N[C@@H](CC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N)c1ccccc1 609160621 SWTUZPVBDFUHDH-QHCPKHFHSA-N 431.923 5.012 30 20 IKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c12 609377009 OIMREYMALPUDPS-HNNXBMFYSA-N 446.532 6.110 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H](c2cc3ccccc3[nH]2)C1 609385107 PBZVHHLSLRWUPI-AZUAARDMSA-N 432.593 5.238 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@@H](COc3ccccc3)c3ccccc3)cc2)nc1 609505158 ASWISEUNVKOOBO-VWLOTQADSA-N 435.483 5.296 30 20 IKED COc1cc(CSCCC(=O)Nc2ccccc2)ccc1OCc1cccc(C#N)c1 609741164 QGNNWEUCBSHHEO-UHFFFAOYSA-N 432.545 5.408 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 610019753 QCBTXFBKYZLXPD-UHFFFAOYSA-N 446.576 5.334 30 20 IKED C[C@H](NC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1)c1cccc(C#N)c1 610355810 ZGUGADIUTNGREC-AOMKIAJQSA-N 434.337 5.471 30 20 IKED C=CCn1c(SCC(=O)N2CCc3cccc(Cl)c32)nnc1-c1ccc(Cl)cc1 612511295 JVMXVEHLPTVRKU-UHFFFAOYSA-N 445.375 5.119 30 20 IKED CC(C)NC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 613404514 OHPGGMBENMVNCP-HNNXBMFYSA-N 446.454 5.335 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)nc2sccc2c1=O 613439615 BSHAFCNEJLUSSS-HOTGVXAUSA-N 449.601 5.155 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)c(C)c2c1 644478350 JKYFFWZYIYGLTD-UHFFFAOYSA-N 427.422 5.063 30 20 IKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(C)[nH]c2C)cc1 726571500 WDPRODPMAUSNST-UHFFFAOYSA-O 437.976 5.330 30 20 IKED Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cc(C)n(-c5ccc(C#N)cc5)c4C)C3)[nH]c2c1 728307677 RJRKGSJLXUJKEZ-OAQYLSRUSA-N 437.547 5.170 30 20 IKED C[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 728472561 DSHHJTZIOLEOQB-NQIIRXRSSA-N 449.551 5.116 30 20 IKED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc3cc(C)ccc3c2Cl)cc1 729189188 XIBKUGLVFHEFOC-MRXNPFEDSA-N 440.908 5.001 30 20 IKED N#C[C@@H](C(=O)Cc1coc(-c2cccs2)n1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 730070883 CEZFGASSVRLPKE-XHBUVVKHSA-N 449.601 5.746 30 20 IKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(C3CCC3)C2=O)cc1 730460050 TVXUPGWQUWEPQB-QFIPXVFZSA-N 449.576 5.019 30 20 IKED Cc1cc2occ(CC(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)c2cc1C 731060492 LNCIPQXUUVMZKQ-HNNXBMFYSA-N 436.533 5.026 30 20 IKED C#CCOc1ccc(NC(=O)N(C)CCCCCc2cc(-c3cccc(F)c3)no2)cc1 731112139 BQZRBOOJXLOTHP-UHFFFAOYSA-N 435.499 5.369 30 20 IKED CCN1C/C(=C/c2coc(-c3ccccc3)n2)C(=O)/C(=C\c2coc(-c3ccccc3)n2)C1 731835906 VINCYEYDHKNWPC-JZTLMNBPSA-N 437.499 5.368 30 20 IKED Cc1ccc(NC(=O)COC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(Cl)c1 731986547 JTYLTUDYMMGVHP-UHFFFAOYSA-N 434.879 5.302 30 20 IKED N#Cc1c(NC(=O)c2cc(Cl)nc(N3CCCC3)c2)sc2c1-c1ccccc1CC2 732934691 SAXKVGNLRCHLIK-UHFFFAOYSA-N 434.952 5.286 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)OCc1ccc(OCC#N)cc1 733447427 UFBVHGYPOMRSIJ-UHFFFAOYSA-N 440.908 5.222 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(Nc3ccc(C)nn3)c2)cc1 737322824 KKPPBKDOAVTFPO-KSFYIVLOSA-N 427.508 5.003 30 20 IKED C#CCN1CCC(C(=O)Nc2ccc(-c3nc4cc(F)ccc4n3C(C)C)cc2C)CC1 741203174 DBWFFTMFHWVEDV-UHFFFAOYSA-N 432.543 5.015 30 20 IKED COc1cc(CNCc2cc(C#N)ccc2F)ccc1OCc1cccc(C(F)(F)F)c1 742381902 REJDVAZQUHHNLL-UHFFFAOYSA-N 444.428 5.594 30 20 IKED COc1ccc(-c2ncc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)s2)cc1 742536868 CSZKFLXWKPTJRC-QFIPXVFZSA-N 425.513 5.726 30 20 IKED N#CCCCOc1cccc(/C=C2/SC(=S)N([C@H]3CCc4ccccc4C3)C2=O)c1 743283997 HKEDPRNROPQCEZ-QCBCRBAMSA-N 434.586 5.128 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)c1nc(-c2ccc(Cl)cc2)cs1 744034771 LJMOGKJPYVMNKC-KZNAEPCWSA-N 436.920 5.215 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(OC(=O)c2cc3ccccc3n2CC#N)cc1 744280770 PLOJFYNGMYAEEI-UHFFFAOYSA-N 443.890 5.314 30 20 IKED Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccccc2-c2ccccc2C#N)c(Cl)c1 744516524 QYEHHZBFQPARJI-QGZVFWFLSA-N 432.907 5.680 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)CCCC(=O)c3ccc(Cl)c(Cl)c3)o2)c1 754309814 ITSVDGBVBDJTNF-UHFFFAOYSA-N 444.274 5.011 30 20 IKED C[C@H](NC(=O)c1ccc(-c2nnc(S)o2)cc1)c1ccc(-c2cccc(C#N)c2)cc1 760029120 ADOSGAXIOHTUPF-HNNXBMFYSA-N 426.501 5.055 30 20 IKED N#Cc1ccc(NC(=S)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1Cl 760278430 FWJCTGYUFBXHLA-UHFFFAOYSA-N 438.915 5.090 30 20 IKED CSc1ccc(C(C)=NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)c(Cl)c1 763365305 YQMFYYGKYIHJTP-UHFFFAOYSA-N 437.878 5.769 30 20 IKED CN1CC[C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)[C@H]1c1ccc(F)c(F)c1 764514547 VGUXTWFNBPHJOJ-IEZKXTBUSA-N 446.501 5.187 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2Cc3ccc(Br)cc3C2)cc1 765161944 VUUPJJZWRGLEHS-UHFFFAOYSA-N 434.293 5.661 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C(C)(C)c1cccc(Cl)c1F 772487533 UYYQGXXPXRCNBB-CQSZACIVSA-N 448.947 5.333 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCCOc3c(Br)cccc32)ccc1OC 772980779 SZJRYNYVQXHQBH-QFBILLFUSA-N 445.357 5.142 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)OC(C)(C)C 775334788 AUMQPVKPNNUANG-LMMKCTJWSA-N 446.617 5.238 30 20 IKED C[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(OCc2ccc(F)cc2)cc1 777114707 MDXVUUPEWUDOBP-LJQANCHMSA-N 445.538 5.411 30 20 IKED N#Cc1cc(N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)ccc1N1CCC(O)CC1 777117617 NPSUAITUIIXVDK-NRFANRHFSA-N 448.567 5.271 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2O[C@@H](C)C#N)c(C)c1 780146753 CTGDRUWXBHXLHZ-FQEVSTJZSA-N 436.515 5.699 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCc2ccccc2[C@H](c2ccccc2)[C@H]1C 780666992 DOWDBNCJKBTLQI-KYTVRQNUSA-N 425.532 5.588 30 20 IKED Cc1ccc(N2CCNC2=O)cc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 785464721 BNOMVMVJJQLFRU-UHFFFAOYSA-N 446.894 5.094 30 20 IKED COc1ccc2c(c1)C(=O)/C(=C/c1csc(N(C(C)=O)c3ccc(F)cc3)n1)CS2 786053763 VLSVJENHZZXHTP-NTEUORMPSA-N 440.521 5.347 30 20 IKED CC(=NNc1nnc(-c2ccccn2)s1)c1cnn(-c2ccc(Cl)cc2Cl)c1C 788025588 AQRUHJFUHIEAAO-UHFFFAOYSA-N 444.351 5.237 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1cc(C(F)(F)F)cnc1Cl 790838044 CPEFHUNYMJJRNI-UHFFFAOYSA-N 444.734 5.423 30 20 IKED COc1ccccc1-c1ncc(/C=C/C(=O)c2c[nH]c3ccc(Br)cc23)cn1 792904095 CLETXJKSGUBOFJ-RMKNXTFCSA-N 434.293 5.292 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2CC)cc1C#N 793720040 XMIXEKUAMIRSNQ-UHFFFAOYSA-N 438.871 5.250 30 20 IKED N#CC1(CCCOC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)CCOCC1 800106359 DCATVHIDBNDGAI-UHFFFAOYSA-N 434.467 5.405 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(c2cccc(F)c2)CC1 800778638 LZRQYGZNQQARCU-ZEQRLZLVSA-N 432.543 5.232 30 20 IKED N#C[C@@H](C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccc(Cl)cc2)cs1 802043677 LXIRXOBJHIHDJE-RDJZCZTQSA-N 438.833 6.369 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H]3c4ccccc4CC34CCOCC4)c2)s1 811882547 IODDCSKEVZPCFN-XMMPIXPASA-N 443.572 5.180 30 20 IKED C[C@@H](CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)c1ccc(F)c(Br)c1 813068200 WSCQXNIXRGXINS-GXFFZTMASA-N 435.293 5.707 30 20 IKED Cc1ccc(-c2cc(C(=O)Nc3nc(Cl)c(C#N)s3)c3cnn(C(C)C)c3n2)s1 813370038 HNUCMUXJRBLQEC-UHFFFAOYSA-N 442.957 5.283 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)NCc2ccc(-c3ccccc3)cc2F)ccc1OC 813641505 WDZYKFGFJWEPIL-JOCHJYFZSA-N 447.510 5.182 30 20 IKED Cc1cccc(OCCCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 916906152 CCVPISNZKDKWEQ-QFIPXVFZSA-N 428.488 5.294 30 20 IKED Cc1ccc(-c2cnc(CCC(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)o2)cc1 916928982 ZTAXTHOCKWHGSX-MRXNPFEDSA-N 442.302 5.237 30 20 IKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(-c2ccccc2Cl)o1 916944697 LCPWZBDOGVCKJV-OAHLLOKOSA-N 433.678 5.868 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(s2)-c2ccccc2OC3)cc1 916947322 HKFDWVUQSNMEQK-QRWLVFNGSA-N 430.529 5.782 30 20 IKED O=S(=O)(c1ccc(NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1)C(F)F 917059029 DFERELBWEGWHNV-RKDXNWHRSA-N 425.341 5.004 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccccc1SCc1ccccc1 918431969 RJRGZNHZTSTSBN-UHFFFAOYSA-N 443.572 5.228 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)CCc3cccc(C)c3)CCC2)cc1 1786364258 FTMRBGUUNUNDPT-UHFFFAOYSA-N 434.580 5.045 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C4CC5(CCC5)C4)cc3)CCC2)c1 1792039564 ANLZIQONGWUDRG-IBGZPJMESA-N 441.575 5.642 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc(-c3ccccc3)s2)n[nH]1 1819932266 GQGPPJOJOXPTJQ-QFBILLFUSA-N 449.580 5.051 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 1828400087 DGLYSULMCNZLBV-ABQRKTDGSA-N 443.031 5.275 30 20 IKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 1831563555 WSUWCVAUCOPTIO-UDIDDNNKSA-N 436.706 5.023 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 1832029860 TUDSTMUFNKCTDZ-QFIPXVFZSA-N 448.529 5.132 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)c2cccs2)CC1 1832142828 BZRFCBSEHWMIOB-CEMLEFRQSA-N 428.642 5.240 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)n(C)c1C)=C(/S)Nc1cccc(Cl)c1 10830831 BIVAASVGAZUOQF-UHFFFAOYSA-O 426.993 5.196 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1ccc(OC)cc1 22731155 XDLDPYSNXQAPJT-UHFFFAOYSA-O 431.990 5.311 30 20 IKED Cc1cc(CSc2ncccc2C(=O)OCc2ccc(-c3ccccc3C#N)cc2)no1 23464736 GACDDWVEBPSPFG-UHFFFAOYSA-N 441.512 5.566 30 20 IKED C[C@H](Sc1nccn1-c1cccc(Cl)c1)C(=O)N(CCC#N)c1ccc(F)cc1 25410876 JWUMUVHCMWYUDG-HNNXBMFYSA-N 428.920 5.092 30 20 IKED N#Cc1ccc(CN2CCN(Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)CC2)cc1 25432139 JPKHHWOYJNZQPG-UHFFFAOYSA-N 442.510 5.018 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnc(-c2ccccc2Cl)s1 64908993 IMAFBQIFQOTEGX-UHFFFAOYSA-N 446.919 6.083 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cn2)cc(OC)c1OC 217028688 RKUCHNFTAHJEEF-UHFFFAOYSA-N 431.517 5.356 30 20 IKED N#Cc1ccc(N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)cc1C(F)(F)F 301565734 ZBHBOVCSZJIVOV-CYBMUJFWSA-N 439.363 5.023 30 20 IKED C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1nc(-c2ccccc2)cs1 410326676 OTOJPXAXMQZLFK-MRXNPFEDSA-N 429.501 5.345 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)Nc1ccc(C2CCC2)cc1 427687536 WJXGGLPOQXAXLI-UHFFFAOYSA-N 447.482 5.556 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[C@H](C#N)c3nc4c(C)ccnc4[nH]3)cc12 429567755 YHANXQVHBCIVEQ-INIZCTEOSA-N 446.923 5.119 30 20 IKED N#CCCC[C@H](Nc1nc(-c2cnccn2)nc2sc3c(c12)CCCC3)c1ccccc1 431497776 YXLXCLVFPFIWPB-IBGZPJMESA-N 440.576 5.874 30 20 IKED Cc1c(C#N)cccc1NC(=O)c1cccnc1SCc1cccc(Br)c1 432841833 WEAAGTVNULNBDZ-UHFFFAOYSA-N 438.350 5.569 30 20 IKED CN(Cc1nccn1Cc1ccccc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 438024239 PMTUNSJJLDIAIS-UHFFFAOYSA-N 437.503 5.259 30 20 IKED Cc1nsc(NC(=O)Cn2c(-c3cccc(Cl)c3Cl)nc3ccccc32)c1C#N 439303976 NCPKSYWCDDTHLY-UHFFFAOYSA-N 442.331 5.285 30 20 IKED CCCc1c(NC(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)cnn1-c1cccc(C#N)c1 439692352 PDJDLRNZSJVJEA-DLBZAZTESA-N 433.478 5.187 30 20 IKED Cc1oc(NC(=O)CN2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)c(C#N)c1C 440675977 LYQQCUFGBFVIKR-FQEVSTJZSA-N 432.524 5.322 30 20 IKED C=CCC[C@@H](NC(=O)c1cnc(O)c(Br)c1)c1ccc(C(F)(F)F)cc1 441585647 CPKBSPKHGOEULJ-OAHLLOKOSA-N 429.236 5.006 30 20 IKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1 442102687 YHCSMRQFAADZIO-UZLBHIALSA-N 444.000 5.576 30 20 IKED CC1CCC(OC2CCN(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)CC2)CC1 442185519 FKPFCRFJOCWOKE-UHFFFAOYSA-N 425.451 5.048 30 20 IKED C=CCC[C@@H](NC(=O)NCc1cc(O)nc2ccccc12)c1ccc(C(F)(F)F)cc1 442241339 KOPGIHCVXLAMJK-LJQANCHMSA-N 429.442 5.466 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OCc4ccccn4)cc3)n2)cc1 442678618 JTQGOXQPZJFEOP-JOCHJYFZSA-N 425.513 5.583 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)c2ccccc21 444127720 DDTVAQYVFGWGCK-UHFFFAOYSA-N 439.397 5.266 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1F)C1CCCC1 447022010 WOEAYGRFACYXGV-AOMKIAJQSA-N 439.556 5.206 30 20 IKED Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)c1ccc(C#N)c(C)n1 460340727 KKYKMBYHMAVZBD-UHFFFAOYSA-N 427.483 5.559 30 20 IKED C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H]1c1csc(C)n1 460945807 BRWLCCUUFRQVPR-SFHVURJKSA-N 444.402 5.390 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N(C)S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 462485853 FMRUJAIQSJCLBY-MRXNPFEDSA-N 440.952 5.269 30 20 IKED C=CCn1c(SCCC(C)(C)C#N)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 463039295 SKQFNAVJOKHAEX-UHFFFAOYSA-N 427.570 5.791 30 20 IKED N#Cc1cc(NC(=O)c2ccc(-n3cnnc3)cc2)ccc1Oc1ccc(C(F)(F)F)cc1 464298641 RRCUXWMBUCXGRX-UHFFFAOYSA-N 449.392 5.202 30 20 IKED COCc1nc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)cs1 464306037 VOKFZWWQPJCGNZ-UHFFFAOYSA-N 433.411 5.225 30 20 IKED C[C@@H](C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccc(C(F)(F)F)cc1 464730140 SCLPCVHAOHETBG-LLVKDONJSA-N 445.338 5.791 30 20 IKED C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 467719508 BONYBKWAIOIMHD-LJQANCHMSA-N 433.552 5.210 30 20 IKED C=CCOc1c(Br)cc(CN2CCC[C@H]2c2ccc(COC)o2)cc1OC 468697337 QELFYAYBZSXAFG-SFHVURJKSA-N 436.346 5.099 30 20 IKED N#CCCCn1cc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)c2ccccc21 468777592 AZGAWMJHWWZELO-GOSISDBHSA-N 437.927 5.409 30 20 IKED C=CCC[C@@H](NC(=O)C1CCC(NC(=O)C(C)(C)C)CC1)c1ccc(C(F)(F)F)cc1 469068461 QTEGWKYSJVVZGX-LYBXBRPPSA-N 438.534 5.550 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccnc(Oc2ccc(F)cc2F)c1 469176978 GMYDULIMLNOEQK-CQSZACIVSA-N 425.460 5.656 30 20 IKED N#CCCn1ccc(NC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)n1 470412518 XVPNPGKBXRNBKZ-UHFFFAOYSA-N 440.385 5.124 30 20 IKED COc1ccc(Oc2ccc(Cl)cc2NCc2nnc(-c3cccc(C#N)c3)o2)cc1 471630226 URZNNAAOVZOHOA-UHFFFAOYSA-N 432.867 5.675 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(CCc1ccccn1)Cc1ccc(F)cc1 475560070 RQNGBHQKUBQCTR-UHFFFAOYSA-N 431.555 6.349 30 20 IKED CCN1CC[C@H](N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)[C@H](C)C1 476807737 OZSOJNGFANJFBC-IERDGZPVSA-N 426.948 5.198 30 20 IKED Cc1onc(-c2ccccn2)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 480795450 MOAISPNMFVUMQT-LJQANCHMSA-N 428.879 5.606 30 20 IKED N#CCCN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)c1ccc2c(c1)OCCO2 480867335 CLQWZKBKTAKQCJ-UHFFFAOYSA-N 441.512 5.041 30 20 IKED Cc1ccccc1-n1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cn1 482275566 YCAQFUCLABSNSU-UHFFFAOYSA-N 426.451 5.023 30 20 IKED CN(Cc1ccoc1)C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482331761 KNPXYHAWNXKVKJ-ZDUSSCGKSA-N 448.285 5.762 30 20 IKED N#C[C@@H](C(=O)c1cccnc1OCc1ccccc1F)c1nc2cc(Cl)ccc2s1 482581224 BZUDBKGJHFWSGR-INIZCTEOSA-N 437.883 5.553 30 20 IKED CC[C@H](N[C@@H](C)c1ccc(OC(F)F)cc1OC(F)F)c1nc(C(F)(F)F)cs1 483846591 CEQIKEIBMYFADO-KWQFWETISA-N 446.388 6.167 30 20 IKED C[C@@H](Oc1ccccc1Br)C(=O)Nc1sc(-c2ccccc2)cc1C#N 487041196 XJNZDGZAKDTGFH-CYBMUJFWSA-N 427.323 5.455 30 20 IKED COc1cc(F)c([C@@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cc1OC 510762033 KIRZTGCWWMMNBM-OAHLLOKOSA-N 436.508 5.357 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)Cc1nc(-c2ccc(Br)s2)no1 511618533 YSNIQORZHJDDAX-UHFFFAOYSA-N 431.359 5.090 30 20 IKED CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 513274307 RVPHVYRUYXFZEC-OAHLLOKOSA-N 425.460 5.173 30 20 IKED CSc1ccc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 514712559 VARIGZDTDCYUOG-LBPRGKRZSA-N 429.567 5.653 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC1(c2ccc(Cl)cc2)CCCC1 514974716 STHGXBFBBJAOJH-INIZCTEOSA-N 441.984 5.258 30 20 IKED CCN(Cc1ccccc1C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 516009699 BXANALPFDCITFQ-HSZRJFAPSA-N 445.950 5.291 30 20 IKED COc1cc(C#N)ccc1OCCCc1nc(-c2ccc(COc3ccccc3)cc2)no1 517631481 RRFWSCDIYZPJEO-UHFFFAOYSA-N 441.487 5.207 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(N3CCCC3)cc2C)cc1C 520461186 DGHDULKNSHWKPD-UHFFFAOYSA-N 427.552 5.242 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(CC)o2)nc2scc(-c3ccc(C)cc3)c2c1=O 521919114 LSHQOCIUZYWBRE-CQSZACIVSA-N 438.578 5.418 30 20 IKED CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 523311356 KZHGESUKRGRBIA-IRLDBZIGSA-N 437.971 5.361 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2(c3nccs3)CCCC2)cc1 523925414 YIKKPCSTOINVNA-UHFFFAOYSA-N 434.521 5.407 30 20 IKED Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 524333477 BZQIRXIGEZOQBE-VWLOTQADSA-N 437.499 5.153 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1-c1ccc(Cl)cc1 524808444 HBFAXKANUWLEOG-QGZVFWFLSA-N 445.950 5.624 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnc(-c3ccncc3)s2)cc1Cl 525559945 SSPJMAZDQDMWNJ-IBGZPJMESA-N 430.920 5.766 30 20 IKED COC(=O)[C@@H]1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c2ccccc21 534019452 LJVBERUQUFEKHQ-LJQANCHMSA-N 446.890 5.311 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(-c2ccc(Cl)cc2)s1 536629940 ASPDDJUCWDTOSX-LBPRGKRZSA-N 444.343 5.409 30 20 IKED CC1CCN(CCc2cccc(NCc3cn(CCC#N)nc3-c3ccccc3)c2)CC1 538780776 PLOKTUJIKZUHBA-UHFFFAOYSA-N 427.596 5.350 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SC[C@@H](C)C(=O)c1ccc(F)c(F)c1 541992464 BEZLWZKOVACFLD-CQSZACIVSA-N 447.482 5.072 30 20 IKED C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(-c2cccc(C#N)c2)cc1 543876787 GVUFADOQVLPXHR-QGZVFWFLSA-N 440.528 6.108 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1-c1nc([C@@H]2CCO[C@H](C)C2)no1 545803882 SNWUWYGVJQDUGL-GDBMZVCRSA-N 438.553 5.358 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CNC(=O)c1sc2ccccc2c1Cl 548103656 LIXIWXCFSXINCD-CYBMUJFWSA-N 443.981 5.317 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 550572238 PUCBOMOXLRNXMG-UHFFFAOYSA-N 438.384 5.138 30 20 IKED COCCn1c(S[C@@H](C)CCC#N)nc2scc(-c3ccccc3Cl)c2c1=O 550963822 VUYGMIWFSAUQEQ-ZDUSSCGKSA-N 433.986 5.209 30 20 IKED Cn1ccc2ccc(NC(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)cc2c1=O 552811151 OBSSYCQAYOZZEW-UHFFFAOYSA-N 429.863 5.108 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1OCC(C)C 553070881 BPBTYNLWMBDKGK-ZWKOTPCHSA-N 441.597 5.864 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)CC1 554542022 BTOYRLHCNAXPCE-UHFFFAOYSA-N 449.885 5.666 30 20 IKED CN1[C@H]2CC[C@H]1CC([C@@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1ccc(Cl)cc1)C2 554995301 XVGABPQNYDBQGJ-QUFVRLGFSA-N 435.999 5.458 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 557581229 DWBNBTPVWMGRLR-BTYIYWSLSA-N 425.554 6.050 30 20 IKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N1CCC(C#N)(c2ccccn2)CC1 558624301 JTPVWUQFHVSZOJ-UHFFFAOYSA-N 444.510 5.197 30 20 IKED C[C@H]1CCCCN1C(=O)c1ccc(NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1Cl 570401859 ATKQTLVHRANBOU-KRWDZBQOSA-N 447.970 5.239 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CC(CC(F)(F)F)C3)s2)c(C(F)(F)F)c1 588346707 MDBZJRQBTKVUIT-UHFFFAOYSA-N 448.392 5.040 30 20 IKED CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1 590250033 RKNXPRGOLXBHGC-HXUWFJFHSA-N 442.515 5.065 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)c(C)c2c1 603464317 DUAXLCILCCOEFA-IBGZPJMESA-N 439.309 5.020 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2cccnc2)n1 603533180 RPSDBXDZZXLRKO-UHFFFAOYSA-N 442.519 5.300 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 603727553 WRQAGDOQMSBZCX-UHFFFAOYSA-N 449.488 5.341 30 20 IKED CCN(C(=O)CCCC(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1)[C@@H](C)c1ccc(C#N)cc1 603737420 GUUUXDDUYCLGJY-SFTDATJTSA-N 444.579 5.119 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 604120112 ZRUNDKBXWLSNTJ-UHFFFAOYSA-N 441.874 5.976 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc4c(c3)nc(C(F)(F)F)n4C(C)C)[nH]c12 605362699 PDNPCJKRQHZJPR-AWEZNQCLSA-N 425.414 5.311 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)C3CCN(c4nc5ccccc5s4)CC3)n2)cc1 608931719 ZYZIXRYZZPMKOP-UHFFFAOYSA-N 445.573 5.147 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1 608952902 MUBWNBPCIWQXSS-QHCPKHFHSA-N 439.987 5.170 30 20 IKED Cc1c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cccc1OCC(F)(F)F 609022843 ZHTQJFZBYGIURS-UHFFFAOYSA-N 440.421 5.639 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 609166751 LLZKHHGDQXXPPT-UHFFFAOYSA-N 443.890 6.149 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)c2)cc1 609176632 QCTGKXDTYWPASG-UHFFFAOYSA-N 439.496 5.917 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1ncc(C(F)(F)F)cc1Cl 609369924 SXZIHKGIJHCFLI-LLVKDONJSA-N 445.919 5.736 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cnc4ccccc4c3C(F)(F)F)cc2)c1 609426835 JXAFWYDHUQZKKK-UHFFFAOYSA-N 433.389 6.170 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)c1 609500988 ZQUOFXFDULVBIE-UHFFFAOYSA-N 445.494 5.066 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1 609630017 LFYYHKJCUGZMCN-DEOSSOPVSA-N 435.527 5.638 30 20 IKED CC(C)n1cnnc1C1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 609732704 IOUBIDCJBNTVRM-UHFFFAOYSA-N 449.942 5.196 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 609772557 GPAUJULROYRRCP-UWJYYQICSA-N 428.001 6.883 30 20 IKED Cn1ccnc1-c1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 609929219 FOUHIARBRZWZLE-UHFFFAOYSA-N 439.494 5.332 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(C#N)c(Cl)c1 619788170 NLCKOLYKGCNPKP-UHFFFAOYSA-N 430.895 5.292 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](c2ccc(F)c(C)c2)C1 670202347 URUGQIINACGOOF-QHCPKHFHSA-N 443.526 5.095 30 20 IKED Fc1ccc(OCc2nc(CN3C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C3)cs2)cc1 674461695 BOFUXBWVMUFNNX-ZIAGYGMSSA-N 428.373 5.034 30 20 IKED O=C(c1cnc2ccccc2c1C(F)(F)F)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674466829 PEQKEQUDGXQFMK-QWRGUYRKSA-N 430.270 5.066 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(CCC(F)(F)F)cc1 676871831 JFDHQNXSKKRTSR-CHWSQXEVSA-N 435.330 5.821 30 20 IKED O=C(Nc1cc(-c2ccccc2F)on1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 683969035 YDZVFZUZXFNGIJ-NXEZZACHSA-N 439.331 5.512 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)/C=C/c3ccc(OC)c(OCCCC#N)c3)s2)cc1 727974283 ITJVUPFLHGQGNT-WUXMJOGZSA-N 448.544 5.714 30 20 IKED Cc1ccc(-c2noc([C@@H](C)OC(=O)c3ccc(COc4ccc(C#N)cc4)o3)n2)cc1F 728109284 OHSAPCQPYBJPSD-OAHLLOKOSA-N 447.422 5.146 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)C2CCC(NC(=O)CC3CCCC3)CC2)c1 728181885 HXNYAXKLEPDGKX-UHFFFAOYSA-N 448.632 5.518 30 20 IKED C[C@@H](C#N)Oc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 728694876 LSBAEEKOWFMQPQ-INIZCTEOSA-N 439.565 6.786 30 20 IKED CCCN(CCC)C(=O)c1cccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)c1 728766797 LBQRKIXVWYFGIX-HSZRJFAPSA-N 441.531 5.063 30 20 IKED COc1cccc([C@H](C#N)NC(=O)COc2ccc(Cl)cc2C2CCCCC2)c1OC 729434842 RJXMJANNLKNGNI-FQEVSTJZSA-N 442.943 5.165 30 20 IKED COc1c(O)cccc1/C=C\C(=O)c1sc(-c2ccccc2Br)nc1C 730148743 KSITXNUEBYMXQB-KHPPLWFESA-N 430.323 5.491 30 20 IKED C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 730276231 IXXJRZXZJJLCTH-RXFWQSSRSA-N 447.538 6.139 30 20 IKED O=C1/C(=C/c2ccc(Cl)s2)CN(c2cnccn2)C/C1=C\c1ccc(Cl)s1 730433305 FEXBOTHPKXXXGU-INOXDZRUSA-N 434.373 5.463 30 20 IKED C#Cc1cccc(NC(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)c1 732416295 OWLVCWKGMGMQSM-UHFFFAOYSA-N 428.467 5.041 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C 732427702 IIVPZDDYZOXYMH-QGZVFWFLSA-N 438.528 5.036 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)[C@H]1C[C@@H]1c1ccccc1Cl 733080122 FOVLEAXLZPHQPZ-HZPDHXFCSA-N 431.849 5.802 30 20 IKED Cc1ccc2nc(CSCC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cn2c1 734123943 UHSIVNUGVLLIBL-HSZRJFAPSA-N 426.545 5.170 30 20 IKED COc1ccc(CCN(CC(C)C)C(=S)Nc2ccc(C#N)c(Cl)c2)cc1OC 734379581 IBNRRKQQJXPJRC-UHFFFAOYSA-N 431.989 5.126 30 20 IKED CCOC(=O)N(C)c1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 735003603 RXFKFPONJBZIQU-UHFFFAOYSA-N 449.894 5.849 30 20 IKED C[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccccc1OC(F)F 740027499 QCGWTTRBFIEZKR-AWEZNQCLSA-N 427.476 5.449 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)C[C@H](C)c2ccccc2C(F)(F)F)ccc1OC 741563526 SMCJPBXZVXSVOS-DOTOQJQBSA-N 434.458 5.205 30 20 IKED CCOC(=O)c1ccc(NC(=S)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1 745724294 OPTAYXGYMOJLLO-UHFFFAOYSA-N 447.535 5.586 30 20 IKED Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)[nH]c2c1 747294352 HNEOAXCWNWLFIH-WIOPSUGQSA-N 435.531 5.896 30 20 IKED CCCCCCNC(=O)[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 748441835 BSTNIGKKHYDPMI-NRFANRHFSA-N 448.567 5.291 30 20 IKED C[C@@H](OC(=O)c1c(F)cc(C#N)cc1F)c1cnc(-c2ccc(Br)cc2)s1 752561966 CGKJGQXVWMTVIJ-SNVBAGLBSA-N 449.276 5.640 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)c1ccc2c(c1)CCC(=O)N2C 754689375 GHXIUNZCCWJVCR-ZRDIBKRKSA-N 433.939 5.007 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3sc(-c4ccccc4)nc3C(F)F)o2)cc1 761625691 KENYTWPPCXFGTO-UHFFFAOYSA-N 438.415 5.026 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2oc(C)nc2C)[n+]2ccc(C(C)(C)C)cc2)c1 764432368 QROFBIAERRBTKX-UHFFFAOYSA-O 432.569 5.181 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@H]2c2ccc(F)c(F)c2)c1=S 764995146 KKXRVTCWTQKAGK-FQEVSTJZSA-N 427.524 5.125 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)c1nc(-c2c(F)cccc2F)cs1 766852390 LNJFUCYCQSNFPT-GRYCIOLGSA-N 434.389 5.486 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3C[C@@H](O)c3ccc(F)cc3)cc2)c1 773274141 JMOMGDIGPGDCRC-RCZVLFRGSA-N 445.494 5.610 30 20 IKED Cc1cc(C)n(-c2ccc(CN[C@H](C)c3ccc(OCC#N)cc3)c(C(F)(F)F)c2)n1 776160848 RZLUHOKQKHIAJI-QGZVFWFLSA-N 428.458 5.261 30 20 IKED C[C@@H]1CN(c2ccc(NC(=O)c3ccc(C4(C#N)CC4)cc3)cc2C(F)(F)F)C[C@@H](C)O1 776890683 SYBNPLVPGTTYGG-HZPDHXFCSA-N 443.469 5.126 30 20 IKED O=C(OCc1ccc(C(F)(F)C(F)(F)F)cc1)c1ncccc1OCC(F)(F)F 777799027 QMEQNEIEAJMGLU-UHFFFAOYSA-N 429.263 5.034 30 20 IKED CN(c1ccccc1)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 779196408 CEELUINIVGHHAH-IBGZPJMESA-N 439.302 5.117 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1 780152749 UFTBBXAXTSNDIV-OAHLLOKOSA-N 437.546 5.022 30 20 IKED Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=NN[C@@H]1CCOC(C)(C)C1 780251239 UMPJWGXCGHTTKG-CYBMUJFWSA-N 429.779 5.081 30 20 IKED CCc1cccc(CC)c1-n1c(-c2cccnc2)nn(CN2CCC(CC#N)CC2)c1=S 781572286 QEXOVSYVVKECLM-UHFFFAOYSA-N 446.624 5.173 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)c1sccc1Br)c1ccc(Cl)cc1Cl 787049237 GLFDEWSYQJLMTP-GZMMTYOYSA-N 446.153 5.017 30 20 IKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1nccc2ccccc12 792095733 LXBHUWUYQNLUMT-OFVILXPXSA-N 433.511 5.117 30 20 IKED COc1cc(COC(=O)[C@@H](c2cccnc2)C(C)C)ccc1OCc1cccc(C#N)c1 797897727 JIXVBCUVAUQFKV-RUZDIDTESA-N 430.504 5.024 30 20 IKED CC(C)C(=O)c1ccc([C@H](C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 802045148 GONOYQLDTQCSHJ-GUYCJALGSA-N 444.478 6.134 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)/C(=C\c1ccc(O)c(OC)c1)c1ccccc1 804560664 HYYURZQLLPYAFF-CFRMEGHHSA-N 445.563 5.324 30 20 IKED N#Cc1nc(F)ccc1Oc1ncnc2scc(-c3ccc(Br)cc3)c12 808142140 PBIMKFIOMAZRGE-UHFFFAOYSA-N 427.258 5.319 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](Cc2ccccc2)c2ccc(OC)cc2)c1 811880123 ISZJVVSHIGQIRY-ZEQKJWHPSA-N 443.547 5.159 30 20 IKED N#Cc1ccc(NC(=O)CSC2=NC(=O)/C(=C/c3csc4ccccc34)S2)cc1 814771882 HVFNFULWNXGLKV-NVMNQCDNSA-N 435.555 5.115 30 20 IKED COc1ccc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc2c1 815907717 IIWFRUPBZRSROY-QHCPKHFHSA-N 436.467 5.602 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1sc2c(c1C#N)CCCC2 821727636 KCFIQHHTJMRDLX-UHFFFAOYSA-N 428.920 5.097 30 20 IKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915087534 UYAVTSBSPYUWQA-YADARESESA-N 443.572 5.349 30 20 IKED CC(=O)N[C@H](CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc(C)cc1 915105144 ZCGGXMGTUPFRGW-IAGOWNOFSA-N 445.466 5.067 30 20 IKED CC(=O)N(c1nc(C=NNc2ccc(Cl)c(Cl)c2)cs1)c1ccc(F)cc1F 916249844 NVHKFJXVLDDBSR-UHFFFAOYSA-N 441.290 5.859 30 20 IKED Cc1ccc(C(=O)CCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)s1 916911737 XTZAVRVEJUKUNM-SFHVURJKSA-N 432.501 5.159 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccccc2)n1)C(=O)Nc1ccc(Cl)cc1Cl 916928959 ZEJJANUPQVQZFK-HNNXBMFYSA-N 430.316 5.007 30 20 IKED N#C[C@H](C(=O)CCSc1ccccc1Br)c1nc(-c2ccccc2)cs1 917026268 DDJAKBYASOETMJ-OAHLLOKOSA-N 443.391 5.931 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1nc2cc(Cl)ccc2s1 917042342 AEUVGINKHXPGMN-PBHICJAKSA-N 438.940 5.070 30 20 IKED CC(C)(C)c1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 920143299 VNKSUZMNQXQHGX-JOCHJYFZSA-N 443.572 6.015 30 20 IKED CCn1c(O)nc2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)ccc21 1629955555 LLFOKSFLVDAMHF-IBGZPJMESA-N 430.895 5.323 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc(OC)ccc3Cl)cc2)CCC1 1792085570 HZEUFBJJJUXREW-UHFFFAOYSA-N 438.955 5.290 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2sccc2Cl)[C@H]1c1cccnc1 1802496658 RLZDEAWUNUWGBN-HKUYNNGSSA-N 446.016 5.109 30 20 IKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cc(Cl)c(Cl)cc4C)CC3)C2)C1 1804785727 QEBRCNPBGBFQPV-UHFFFAOYSA-N 435.395 5.113 30 20 IKED Cc1scc(C(=O)N2CCCC3(CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)C2)c1C 1808792068 BUBANOOPJAQDSH-GOSISDBHSA-N 449.620 5.151 30 20 IKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC(C)(C)C)n[nH]1)c1ccccc1 1816761558 LXPYTFUPZNQEKL-UNMCSNQZSA-N 434.584 5.035 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccccc2C)n[nH]1 1822057619 GHFXGARCEHJCMA-GMAHTHKFSA-N 434.584 5.111 30 20 IKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](CCC)CC2)[nH]n1 1822583969 VBTSUHMECFIUEW-ONTIZHBOSA-N 426.605 5.202 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCC(F)(F)CC2)CC1 1824326422 OBWDVSCALWETND-NRFANRHFSA-N 438.603 5.424 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)s2)CC1 1825033821 WFRBAQMYLRIHDR-RTWAWAEBSA-N 449.060 5.332 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccoc3s2)CC1 1827410427 OCXBSTMUWAJHFM-RTWAWAEBSA-N 440.609 5.496 30 20 IKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1828497689 FSBIKZWMIZLHSY-HSZRJFAPSA-N 439.987 5.006 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ccncc23)CC1 1828830114 LCQZAOAYGBKJTR-OZXSUGGESA-N 445.607 5.237 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)Nc2ccccc2)CC1 1828844063 BCLJHUURLIZSJV-QPPBQGQZSA-N 439.644 5.099 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)C1 1845348794 KTHLBJDOXSRLKD-UHFFFAOYSA-N 442.909 5.168 30 20 IKED C[C@H](SC1=Nc2ccccc2CS1)C(=O)Nc1sc2c(c1C#N)CCCCC2 22022529 JFIZGXYCVSGCOG-ZDUSSCGKSA-N 427.620 5.883 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)nnc1-c1ccc(F)cc1 24014967 YFQDQSUQIAFGCJ-IAGOWNOFSA-N 436.556 5.119 30 20 IKED N#CCC[C@@H](C#N)CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1 24089664 QFTLHJUIWVOOCU-HNNXBMFYSA-N 432.530 5.243 30 20 IKED CCCOc1c(Br)cc(C(=O)Nc2cc(C#N)ccc2OC(C)C)cc1OC 60017597 AAQJVIQFPQRWRK-UHFFFAOYSA-N 447.329 5.158 30 20 IKED Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c2c(C(C)C)noc2n1 195692469 FXKVVZRWLAVULM-UHFFFAOYSA-N 442.494 5.508 30 20 IKED C=CCOc1c(Br)cc(CNc2cccc(NC(=O)C3CC3)c2)cc1OCC 236939963 OYVJFCKKLOHIRV-UHFFFAOYSA-N 445.357 5.373 30 20 IKED COc1cc(C=Nn2c(-c3ccccc3OC)n[nH]c2=S)ccc1OCc1ccccc1 254500087 UHJOYOBMIXYUGW-UHFFFAOYSA-N 446.532 5.086 30 20 IKED C[C@H]1CCc2c(sc3nc([C@@H](C)Sc4nc5c(cc4C#N)CCCC5)nc(O)c23)C1 302980949 TZFVWKXTIGSQHS-QWHCGFSZSA-N 436.606 5.520 30 20 IKED C#CCOc1ccc(F)cc1NC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 303915464 NFFZKDLJCVEAEI-CQSZACIVSA-N 444.915 5.407 30 20 IKED N#CCSc1cccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 429876179 IQLRFHHDQUYUJQ-LJQANCHMSA-N 448.375 5.242 30 20 IKED N#Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)c(Cl)c1 430352849 HTXSNHHLLJFCLH-UHFFFAOYSA-N 441.944 5.299 30 20 IKED Cc1nc(CSc2ccccc2C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cs1 430589989 GOKPRRIZNCMHFR-INIZCTEOSA-N 427.620 5.988 30 20 IKED N#CCCC[C@H](Nc1ncnc2cccc(I)c12)c1ccccc1 431490636 MEWUXWXCAJEUQU-INIZCTEOSA-N 428.277 5.081 30 20 IKED CCn1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C(F)(F)F)n1 436127790 GGZYHCLORCXBQI-MRXNPFEDSA-N 432.833 5.483 30 20 IKED C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 437886191 CFJAFUZXKIPBKB-AFMDSPMNSA-N 443.522 6.086 30 20 IKED CCO[C@H](C)c1nc(CN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cs1 438068302 RKEOGPVFNJDPTD-MRXNPFEDSA-N 436.537 5.568 30 20 IKED Cc1cc(N2CCNC2=O)ccc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 441467684 CQMKBSBSXKWXOV-UHFFFAOYSA-N 446.894 5.094 30 20 IKED C=CCC[C@H](NC(=O)C1CCN(C(=O)N(CC)CC)CC1)c1ccc(C(F)(F)F)cc1 441568395 QMMDNZMZSVNPFE-FQEVSTJZSA-N 439.522 5.003 30 20 IKED CCN([C@H](c1ccc(Cl)cc1)c1ccccn1)S(=O)(=O)c1ccc(Cl)cc1C#N 443073654 RRGJCPFXIZPPKE-OAQYLSRUSA-N 446.359 5.060 30 20 IKED C=CCn1c(SCc2nc(C(C)(C)C)cs2)nnc1[C@@H]1COc2ccccc2O1 445582638 GCPPWXLCWOREPD-INIZCTEOSA-N 428.583 5.023 30 20 IKED C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)[C@@H]1c1cccc(F)c1 461836572 VDTGVSPABVZVDL-DKLXNKCPSA-N 445.542 5.112 30 20 IKED Cc1cccc([C@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)c1 461872278 RMTBIZUFRQLOCD-BJKOFHAPSA-N 427.552 5.036 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)N1CC(c2ccccc2F)C1 464346592 NJGXLLCQYOHSSC-QGZVFWFLSA-N 434.355 5.647 30 20 IKED O=C(Nc1ccc(OC(F)(F)F)c(Br)c1)c1c(F)c(F)cc(F)c1F 470698343 DUSSSJBQNUWCRP-UHFFFAOYSA-N 432.089 5.156 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC=C(c3c(F)cccc3F)CC2)cc1C 472024462 GIVZJKBTOBPIRO-UHFFFAOYSA-N 446.501 5.288 30 20 IKED CC[C@H](C)Oc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 476166977 RESSDYZBVAUSKW-KRWDZBQOSA-N 429.476 5.105 30 20 IKED C[C@@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccccc1C(F)(F)F 476792742 QOBYOWNNMBJSGJ-FAEJEUNOSA-N 431.458 5.327 30 20 IKED CN(C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1cc(Cl)ccc1C#N 479572798 DGXYRGSUEQPCKL-UHFFFAOYSA-N 443.890 5.416 30 20 IKED CC(C)NC(=O)Nc1ccccc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 480734492 ISLNINBSHQJCDS-UHFFFAOYSA-N 430.533 5.492 30 20 IKED FC(F)(F)c1cc([C@H](NCc2ncc(Cl)s2)C(F)(F)F)cc(C(F)(F)F)c1 481026290 SFADTXOHXQITGH-NSHDSACASA-N 442.734 6.227 30 20 IKED COc1ccc(F)cc1[C@H](C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481621711 HWEBBSJNHVZBJG-HNNXBMFYSA-N 437.446 5.307 30 20 IKED N#Cc1cc(NC(=O)CSCc2coc(-c3ccccc3)n2)ccc1OCC(F)(F)F 481880950 MPYRXBFLFRQFDU-UHFFFAOYSA-N 447.438 5.026 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccc(SC)c(Cl)c2)nnc1-c1ccco1 481893448 NYVVYIMAQCLUGN-UHFFFAOYSA-N 434.974 5.220 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc([N+](=O)[O-])c1C 482556900 LGQQGHKRXXOSDS-OAHLLOKOSA-N 427.869 5.179 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[C@@H](C#N)c3cnc4ccccc4n3)cc12 483242922 YECMOCYKACIZHD-KRWDZBQOSA-N 443.919 5.482 30 20 IKED N#CCCC[C@H](NC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)c1ccccc1 487506988 WVBMXVWTAIYODL-NRFANRHFSA-N 427.533 5.161 30 20 IKED COc1ccccc1[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccco1 489548882 GWXKPRGMXWRDKQ-JOCHJYFZSA-N 444.516 5.118 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1cccc2ccccc12 489681803 PHJKUVBREYDCBZ-SFHVURJKSA-N 444.560 5.316 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1cccc(OC)c1OC1CCCC1 497454564 PKCJKGAYLLPBJL-UHFFFAOYSA-N 440.588 5.082 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl 498413351 KBJWVLJCHGZGSK-QWHCGFSZSA-N 436.364 5.002 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc1 499381338 HIRHOMXDCMBOPZ-SFHVURJKSA-N 440.366 5.113 30 20 IKED CC(=O)N[C@@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccc(C)cc1 500743632 MYVJLWLXRCIMOZ-VWLOTQADSA-N 427.504 5.173 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 501420754 IBYFCDIBKBTYEJ-VWLOTQADSA-N 434.923 5.285 30 20 IKED Cc1csc(Sc2ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c(C)c2)n1 503004365 OGFOGYNQVLRANR-NRFANRHFSA-N 431.583 5.111 30 20 IKED CCc1ccc(C(=O)Nc2sccc2C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1 504014903 XYERNRLFNJKTFS-UHFFFAOYSA-N 441.556 5.364 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCC(c2nc(-c3ccccc3OC)cs2)CC1 505011346 UHPOLYXVEOZMKW-UHFFFAOYSA-N 447.604 6.349 30 20 IKED CC[C@H](C)n1c(SCC(=O)Nc2ccc(Cl)c(C#N)c2)nnc1-c1ccccc1 505044707 QNJYQXLPBCPBQA-AWEZNQCLSA-N 425.945 5.172 30 20 IKED Cc1nc(CSc2ccccc2C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)cs1 505827563 RFGGYKSPVLUVFK-OAQYLSRUSA-N 435.618 6.036 30 20 IKED N#C[C@H](NC(=O)c1ccccc1SCc1cccs1)c1cccc(C(F)(F)F)c1 505986838 MDTMLZOOBFXBSX-SFHVURJKSA-N 432.492 6.054 30 20 IKED Cc1sc(NC(=O)CCc2ncc(-c3ccccc3Br)o2)c(C#N)c1C 506216338 BMYGAZBSMGNAID-UHFFFAOYSA-N 430.327 5.225 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)Nc3ccc(C#N)c(Cl)c3)s2)cc1 506764151 TVRSDEHCVBQMIL-CYBMUJFWSA-N 426.929 5.535 30 20 IKED COc1cccc(CC(=O)N2CCc3ccc(N[C@H](C)c4ccc(C#N)cc4F)cc32)c1 512287263 GWRANQRNXYMJQN-QGZVFWFLSA-N 429.495 5.011 30 20 IKED Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1ccccc1-c1ccccc1C#N 512675421 LAYDJUKIUQHCMI-UHFFFAOYSA-N 431.495 6.038 30 20 IKED CC(C)C(=O)Nc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 513940154 MPRRSEXDMXNUEV-UHFFFAOYSA-N 444.510 5.526 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccccc1Oc1ccc(Cl)cc1 518656738 PFCLZLQHKOFXOR-UHFFFAOYSA-N 445.910 5.235 30 20 IKED C[C@@H](C#N)CSc1ccccc1NCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 518664931 ZALJIWOLHMGPDA-LBPRGKRZSA-N 425.888 5.244 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](COc1ccccc1)c1ccccc1 520941011 BHRSKQKYGDDZJU-WMZHIEFXSA-N 431.561 6.023 30 20 IKED Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cccc(OCc2ccccc2C#N)c1 521331390 CVUPFQKYZGYFGS-UNOMPAQXSA-N 439.540 5.470 30 20 IKED N#Cc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)(F)F)cc1 525337297 RCTJXLRWCHPDGZ-UHFFFAOYSA-N 434.361 5.249 30 20 IKED N#Cc1cccc(-c2nnc(CN3Cc4cc(Cl)ccc4C[C@H]3c3ccccc3)o2)c1 531782274 MVNCJDCPLTXUKG-QHCPKHFHSA-N 426.907 5.561 30 20 IKED CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 536396700 ZJQGEHSTXFUWRB-SSEXGKCCSA-N 438.936 5.014 30 20 IKED COc1ccc(-n2c(SCCCC3(C#N)CCOCC3)nnc2-c2cccc(C)c2)cc1 540769203 AEHFMWIOPNNJDU-UHFFFAOYSA-N 448.592 5.444 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Oc2nncc3ccccc23)cc1 541243062 VSHIUSNEJOWEJN-XMMPIXPASA-N 438.487 5.336 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 541969795 LIXKNIBSJMDIHD-BEFAXECRSA-N 449.498 5.705 30 20 IKED CCC(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 543057249 BSXYHNOKMDJRQY-MRXNPFEDSA-N 429.328 6.200 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1c(F)cc(Br)cc1F 558383246 WJLQWLAAIJOIMB-UHFFFAOYSA-N 427.293 5.115 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)c1ncc(C#N)cc1C 560011714 QHELDSUNSLBGFH-UHFFFAOYSA-N 427.483 5.559 30 20 IKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)cc1 560128210 JQQWXZJUMIYNHC-UHFFFAOYSA-N 438.936 5.337 30 20 IKED O=C(N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)C1CCC(OC(F)F)CC1 565368311 LKIBHEFIWZTLCK-XIVSLSHWSA-N 435.311 5.103 30 20 IKED CCCc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1cccc(C)c1 576305641 LAZCBORSLNCQQX-KRWDZBQOSA-N 433.462 5.368 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC(OCc4ccc(F)cc4)CC3)cc2)ccn1 589364105 HIIZVNSSQQAVKG-UHFFFAOYSA-N 446.482 5.098 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1 603656352 OTFZCAJWHBYWQV-UHFFFAOYSA-N 449.558 5.721 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1Cl 603673159 AXPPTOKEHBZBMB-FQEVSTJZSA-N 437.908 5.634 30 20 IKED CN(Cc1cc(Br)cs1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603692489 YRFDJZMGFAXIBT-UHFFFAOYSA-N 443.326 5.233 30 20 IKED N#CCCN(C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1)c1cccc(Cl)c1 603726544 QIROBKSPSHTWEE-UHFFFAOYSA-N 448.935 5.582 30 20 IKED N#Cc1cccc(COc2cccc(/C=C3\CCn4c3nc3cc(Cl)ccc3c4=O)c2)c1 603748468 UDAPHPTVURWVLM-UDWIEESQSA-N 439.902 5.445 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)CSCc3cccc(Cl)c3)c2)c1 603995526 IURGNHNMFCZIBI-UHFFFAOYSA-N 435.936 5.336 30 20 IKED CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604143052 HVIJFTQPFNEXBH-JXFKEZNVSA-N 425.916 5.027 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2Oc2cccnc2)cc1Cl 604523248 NKKZQCJNSFCGIS-QHCPKHFHSA-N 439.902 6.435 30 20 IKED CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 605031304 ILGKKIFVUGKSSE-UHFFFAOYSA-N 438.290 5.453 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NC[C@H]3CCN(c4ccc(F)c(F)c4)C3)c2)cc1 609209900 UJQOMXFTMCODTQ-GOSISDBHSA-N 448.473 5.277 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCc2nc3cc(Cl)ccc3s2)cc1 609326855 PVXOZNPKKZWJGK-UHFFFAOYSA-N 437.874 5.345 30 20 IKED COc1ccc2[nH]cc(C3=CCN(C(=O)Nc4ccccc4S[C@H](C)CC#N)CC3)c2c1 609435584 ZIMNKAYGRSDMLV-QGZVFWFLSA-N 446.576 5.892 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc(C(=O)N4CCCCC4)c3)cc2)cc1 609501445 QBKVQSQMDXOAMV-UHFFFAOYSA-N 439.515 5.423 30 20 IKED CC1CCN(Cc2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cc2)CC1 609516019 ZUYYVVGRMKBXMX-UHFFFAOYSA-N 426.520 5.230 30 20 IKED N#C[C@@H](NC(=O)c1cnc(-c2ccccc2Cl)s1)c1ccccc1Br 609593667 ZMRLRLGLNMQCLI-OAHLLOKOSA-N 432.730 5.221 30 20 IKED CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 609927862 GDXQLNWQYGUDRQ-IVZQSRNASA-N 436.899 5.297 30 20 IKED CN1CCC[C@H](CNC(=O)c2cccc(COc3ccccc3C#N)c2)[C@@H]1c1cccs1 610180713 NWMXHKYSKKTSQU-RCZVLFRGSA-N 445.588 5.012 30 20 IKED C[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1Br)c1cccc(C#N)c1 611141215 PLGKFNPUEXWHNX-SNVBAGLBSA-N 428.208 5.102 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H](C[C@H]2CCOC2)C1 611357759 SZOBVKBRCWCRKX-JTHBVZDNSA-N 433.552 5.116 30 20 IKED O=C(N[C@@H]1CCCC1(F)F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 673377183 JKRRXFBYHJVZFU-WBGGOEJBSA-N 433.383 5.413 30 20 IKED COCCCOc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 674300031 WWTMBAXJJDFYLI-INIZCTEOSA-N 434.439 5.220 30 20 IKED N#CCCn1cc(C(=O)COC(=O)/C=C/c2cccc(OC3CCCC3)c2)c2ccccc21 727888167 WFFVEAGUDIPALC-BUHFOSPRSA-N 442.515 5.316 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)N(C)Cc1ccccc1 728062070 IMEJBFRUMFZNOT-SFHVURJKSA-N 433.939 5.250 30 20 IKED C#Cc1cccc(N(Cc2ccco2)C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1 728185163 HNNSXIJKNKGXMW-UHFFFAOYSA-N 430.891 5.735 30 20 IKED Cc1ccc(Cl)c(NC(=S)Nc2ccccc2Oc2ncccc2C#N)c1Cl 728444080 FGMCBRGNEQCZDI-UHFFFAOYSA-N 429.332 6.170 30 20 IKED Cc1csc(SCc2ccccc2C(=O)Nc2ccccc2SC[C@@H](C)C#N)n1 730989351 LTUXZLGAONSPRN-HNNXBMFYSA-N 439.631 6.248 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2csc(-c3ccoc3)n2)cc1C 731075437 AOJXCMOTBKMMRD-UHFFFAOYSA-N 432.505 5.154 30 20 IKED C#CCOc1ccc(NC(=O)N(C)[C@@H]2CCSc3ccc(Br)cc32)cc1 731113210 MDUPLTNJAHBQGS-GOSISDBHSA-N 431.355 5.162 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 731276245 LUXLUAGKMNCRHB-WTNAPCKOSA-N 444.556 5.519 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNc2nc(-c3cccnc3)nc3sc4c(c23)CCC4)c1 733793044 CUASUYTYHJUOFR-SFHVURJKSA-N 441.560 5.535 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cs1)C1CC1 734304106 DWOYZDXKOGVMDO-YFHOEESVSA-N 443.981 5.640 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(SC(F)F)cc2)ccc1O[C@@H](C)C(=O)N(C)C 734982042 VTRGLVXHMDXIPP-MFMIUCCHSA-N 449.519 5.152 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1 737028686 REISQUIBGYZRDX-UHFFFAOYSA-N 439.556 5.282 30 20 IKED C[C@@H](C#N)Oc1ccc(/C=C(/Cl)c2ncc(-c3ccccc3Br)o2)cc1 741842710 MOMWUBPGBNYVNQ-SGPNVBEDSA-N 429.701 6.132 30 20 IKED C#CCN1CCC(C(=O)Nc2cc(-c3nc4ccc(F)cc4n3C(C)C)ccc2C)CC1 741967448 ZGXXKYURLWVSSL-UHFFFAOYSA-N 432.543 5.015 30 20 IKED CC(C)N1C/C(=C/c2cnc(-c3ccccc3)[nH]2)C(=O)/C(=C/c2cnc(-c3ccccc3)[nH]2)C1 742429414 QFTDOZHSESBPSI-BQGZOASHSA-N 449.558 5.227 30 20 IKED N#Cc1ccccc1NC(=S)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 743011462 OWAWUGORDNFLDC-UHFFFAOYSA-N 438.434 6.050 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C[C@@H](c2ccc(F)cc2)O1 743092968 IYJYCIVYEHDWTI-XYHYBEPMSA-N 429.495 5.475 30 20 IKED COC(=O)[C@@H](Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1Cl 743470183 YHSRAOJRMIAGPH-UNMCSNQZSA-N 425.315 5.975 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C/C(=O)c1cccc(N2CCOC2=O)c1 745626964 WOPXKCPJZVIDHM-MDZDMXLPSA-N 442.302 5.340 30 20 IKED C[C@@H](OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnc(-c2ccc(F)cc2)o1 746143637 LXVDCIIZUNCNGL-SECBINFHSA-N 448.294 5.831 30 20 IKED Cc1ccc([C@@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)N2CCCC2)cc1 747295543 UNCOMNCLNRDDJA-RRPNLBNLSA-N 438.575 5.609 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnc(-c3ccccc3Cl)s2)cc1 748004303 WBOUBKHKZLFPGT-SFHVURJKSA-N 437.952 5.767 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)c(F)cc2Br)cc1 749767960 GAQKWDAWZYOYJN-QGZVFWFLSA-N 427.248 5.635 30 20 IKED CCOCCOc1ccc(Br)cc1C=NOc1ccccc1C(F)(F)F 754712328 MJIAAJNKIUDOLI-UHFFFAOYSA-N 432.236 5.296 30 20 IKED CC(=O)c1ccc(Oc2ccc(C(=O)OCC(=O)Nc3cc(Cl)ccc3C#N)cc2)cc1 760577034 NEOTXGXNNIKFQQ-UHFFFAOYSA-N 448.862 5.002 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1 760789935 QHFWGEKNNWTZSF-NRFANRHFSA-N 428.435 5.478 30 20 IKED CC(C)(C)OC(=O)N(CC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1 761095192 YACHNPUKHBVKNR-INIZCTEOSA-N 440.450 5.049 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Br)c(Cl)c1 763476798 LODSLXQKEFXYEK-JTQLQIEISA-N 446.515 5.370 30 20 IKED COc1ccc(CN[C@H](C)c2nc(-c3ccc(Br)cc3)cs2)cc1C#N 763532080 DUOKSOMYZSENGM-CYBMUJFWSA-N 428.355 5.304 30 20 IKED COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1ccc(O[C@H](C)C#N)cc1)CC2 768180938 RJSCSEMHLFAASN-XHCCPWGMSA-N 428.532 5.142 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)N[C@@H](CCC#N)c1ccccc1 777602272 ISVVRQHLHUVOJZ-XZOQPEGZSA-N 448.567 5.755 30 20 IKED CC1(C#N)CCN(Cn2nc(Nc3ccc(SC(F)F)cc3)sc2=S)CC1 779878260 DFRNOUZLDARLPF-UHFFFAOYSA-N 427.571 5.316 30 20 IKED COc1cc(C(=O)Nc2ccccc2O[C@@H](C)C#N)ccc1OCc1ccc(Cl)cc1 780148695 HMWSQZYGWBENNY-INIZCTEOSA-N 436.895 5.471 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)c4cccnc34)n2)cc1 780326712 BJFBVZKMRBHUIM-QGZVFWFLSA-N 449.919 5.276 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc2ncc(I)n2c1 789717944 BIJJANNSMRUCEO-UHFFFAOYSA-N 445.304 5.043 30 20 IKED N#CC[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1 796642741 HHQSOGLSCSXRBW-QAPCUYQASA-N 440.355 6.381 30 20 IKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(CC(F)(F)F)C2=O)cc1 799214575 CVJQPRXBRWPEQM-SFHVURJKSA-N 449.498 5.134 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](CCO)Cc2ccccc2)cc1Cl 799386690 CDWUQQINTCHIHI-JTHBVZDNSA-N 433.939 5.111 30 20 IKED CC1(C(=O)N2CCC(c3cccc(F)c3)CC2)CCN(c2ccc(Cl)cc2C#N)CC1 804431409 BWTKPZTXHIBSEZ-UHFFFAOYSA-N 439.962 5.363 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cc(Br)ncc3Cl)cc2)c1 806825626 NEFGNODKZROCJP-UHFFFAOYSA-N 428.673 5.414 30 20 IKED C[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F)C(F)(F)F 808817660 CULQDBZPPUDOSA-SECBINFHSA-N 437.315 5.169 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCN(c2ccccc2F)C1)c1nc(-c2ccc(Cl)cc2)cs1 810533481 ZOFSDTVYRNUECR-NVXWUHKLSA-N 425.916 5.305 30 20 IKED C=CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(Cl)c1 916215186 UFGYXUQGBNQYPW-IBGZPJMESA-N 427.957 5.103 30 20 IKED Cc1c(Cl)cccc1-n1ccnc1SCC(=O)[C@H](C#N)c1nc2ccccc2s1 916846517 YGRHLXCRVYWSFP-AWEZNQCLSA-N 438.965 5.412 30 20 IKED COc1ccc2cc(/C=C/C(=O)[C@@H](C#N)C(=O)Nc3cc(C)c(Cl)cc3OC)ccc2c1 916901226 BJCFMVSGPQMNAK-MVHVFESUSA-N 448.906 5.180 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12 916916212 PZKOJMMCCBOETK-IBGZPJMESA-N 429.476 5.372 30 20 IKED CC(C)(C)c1noc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1 916996606 OEEKTGDNWLWONT-CYBMUJFWSA-N 449.363 5.606 30 20 IKED C=C(C)CNC(=S)N(C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 917048794 BUSDXTXNHPMINA-UHFFFAOYSA-N 425.001 5.134 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@@H](C#N)c1nc2ccccc2o1 920115569 IDGQZHWJRMCLOX-CZUORRHYSA-N 437.908 5.634 30 20 IKED N#C[C@@H](C(=O)COc1ccc2oc3c(c2c1)CCCC3)c1nc(-c2ccncc2)cs1 920265525 PTMWJIVVLDHGBE-IBGZPJMESA-N 429.501 5.085 30 20 IKED CC(=O)N(c1ccccc1)c1nc(C=NNc2ccc(Br)c(C)c2)cs1 920478723 DNFKIOUMUVWPKA-UHFFFAOYSA-N 429.343 5.345 30 20 IKED CCCOc1ccc(C=NOCc2coc(-c3ccc(Br)cc3)n2)cc1OC 920486282 WUDXLASKKSCMKU-UHFFFAOYSA-N 445.313 5.452 30 20 IKED Cc1occ(C(F)(F)F)c1C(=O)Nc1ccc(C2(NC(=O)C3(C#N)CCC3)CCC2)cc1 1788790135 VNPFMZRJNGCXFT-UHFFFAOYSA-N 445.441 5.048 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnc(C(C)(C)C)cn3)cc2)CCC1 1788882383 HNRHPCKIOXBEIH-OAQYLSRUSA-N 446.595 5.290 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)cc(OC)c3)cc2)CCC1 1792150596 QSCUHMVDTLRCSV-UHFFFAOYSA-N 448.897 5.308 30 20 IKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1Oc1ccccc1 1799548454 MZLXUBNLIXZFAD-NUNAXRQHSA-N 444.575 5.499 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)[C@H]1c1cccnc1 1802500519 ABAIGLQUYRFIIW-WMIMKTLMSA-N 439.644 5.296 30 20 IKED CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)CCCC1 1814529097 OBIBYYNWNQVIMN-HXUWFJFHSA-N 442.680 5.033 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1 1829070404 IDZAWWNHTHCOAJ-XUZZJYLKSA-N 440.628 5.066 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)Sc2cccs2)CC1 1831373954 VLEXCPGKWOIGOE-NSHGMRRFSA-N 434.671 5.061 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccccc2CC)cc1 10173919 VFLIJAGMFNNRTQ-UHFFFAOYSA-O 433.597 5.603 30 20 IKED Cc1cccc(Nc2nnc(SCC(=O)Nc3cc(Cl)ccc3C#N)s2)c1C 10211247 IGVUTGXTNDQACO-UHFFFAOYSA-N 429.958 5.154 30 20 IKED C=CCNc1nnc(SCc2csc(N(C(C)=O)c3cccc(C)c3C)n2)s1 11393275 BHLJTGXYRJBCNG-UHFFFAOYSA-N 431.612 5.186 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nc(Cc3ccccc3)c(C)[nH]2)c1 22254065 YLNHKKVTGBVJKU-FQEVSTJZSA-N 432.593 5.353 30 20 IKED COc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(O)c2)cc1 22731150 MMBJZFSYNRMXCR-UHFFFAOYSA-O 448.351 5.046 30 20 IKED COc1ccc(CC[C@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 65412350 SMVNPIMFPPTVGM-FQEVSTJZSA-N 443.547 5.483 30 20 IKED CCCCN(C(=O)c1ccc(COc2ccccc2C#N)o1)C1CC(C)(C)NC(C)(C)C1 111024161 RFWDZNWPGYZNTN-UHFFFAOYSA-N 437.584 5.282 30 20 IKED Cc1cc(Sc2ccccc2)ccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 195636170 OLEIUZMIQMBBQF-UHFFFAOYSA-N 444.604 5.614 30 20 IKED N#Cc1cnc2ccc(OC(F)F)cc2c1NCC1(c2ccc(F)cc2)CCOCC1 302994416 LUZRXNYCNKGORJ-UHFFFAOYSA-N 427.426 5.007 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nccn1-c1cccc(Cl)c1 303326052 VLQBMMAWCRLWGT-OAHLLOKOSA-N 442.997 5.508 30 20 IKED Cc1[nH]c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nc1Cc1ccccc1 303343986 ZDGZLTSTTYKDFO-INIZCTEOSA-N 436.606 5.292 30 20 IKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)Nc1cc(C#N)ccc1OC(C)C 409875681 NYHZOTQDRAMYBE-UHFFFAOYSA-N 435.527 6.050 30 20 IKED C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1nc(-c2ccccc2)cs1 410326674 OTOJPXAXMQZLFK-INIZCTEOSA-N 429.501 5.345 30 20 IKED CCc1noc(-c2ccc(C)c(NC(=O)c3ccccc3Sc3ccccc3C#N)c2)n1 430450265 LTZJYHNEVYBSBG-UHFFFAOYSA-N 440.528 5.883 30 20 IKED CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1sc2ccc(C#N)cc2c1C 431758982 HMDYLOHFHPCTNX-UHFFFAOYSA-N 445.466 5.201 30 20 IKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)CCCC(=O)Nc1ccccc1C#N 432490182 NWHWDPDJRZJIOM-UHFFFAOYSA-N 445.494 5.332 30 20 IKED CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Nc1ccccc1S[C@H](C)CC#N 438046770 YIWKRSYOKHZYOL-LJQANCHMSA-N 430.577 6.197 30 20 IKED CC(C)Sc1c(Cl)cccc1NC(=O)N1CCCN(c2ccccc2C#N)CC1 438248708 PACOTORMHBEWGX-UHFFFAOYSA-N 428.989 5.456 30 20 IKED COc1cc(CNC2CCC(Oc3ncccc3C#N)CC2)ccc1OCc1cccs1 438474482 VSOMWMUNOGYGJZ-UHFFFAOYSA-N 449.576 5.082 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccncc1OCC(F)F 440933014 AMBPVNHECAAJIG-UHFFFAOYSA-N 438.434 5.020 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 460772023 XRDCQDGXCHPENF-HYDGNGQDSA-N 428.989 5.109 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 463259225 PATAEURVNQMORT-TZIWHRDSSA-N 447.348 5.206 30 20 IKED Cc1nn(C)c(C)c1C[C@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 466083334 LNOOVOUQFRJRTJ-AWEZNQCLSA-N 437.931 5.107 30 20 IKED CO[C@@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(Cl)cc1 466087730 DRZSQIXOULIYIX-DEOSSOPVSA-N 449.938 5.494 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)Nc1ccn(CCC#N)n1 470415264 OQWSQTZJMGKCFL-UHFFFAOYSA-N 445.502 5.486 30 20 IKED Cc1c(COc2ccccc2)cccc1NC(=O)c1occc1COc1cccc(C#N)c1 471446386 HWFJCDXGQAWFBK-UHFFFAOYSA-N 438.483 5.870 30 20 IKED C[C@H]1[C@@H](C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCN1c1ccccc1 475256990 CKFUVMQLUNSXMO-CPJSRVTESA-N 425.532 5.185 30 20 IKED COc1ccc(Br)cc1[C@H]1CCCN1C(=O)C[C@H](CC#N)c1ccccc1 475452361 UHRGNBIKYLRUPS-FXAWDEMLSA-N 427.342 5.209 30 20 IKED Cc1ccc(Br)c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 477478593 TWGSGLPWHGYNRJ-UHFFFAOYSA-N 434.293 5.134 30 20 IKED C=C(C)[C@H](NC(=O)Nc1ccc(OC)c(OCc2ccncc2)c1)c1ccc(F)c(F)c1 480455110 SRKCGGOLCHJWRE-QHCPKHFHSA-N 439.462 5.386 30 20 IKED CCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)[C@H](c1cccnc1)c1csc2ccccc12 480935860 CRNFQKIKZRFHFE-IQGLISFBSA-N 441.556 5.573 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1nc(-c2cccs2)oc1C 481371549 NEHKBEOWNKNQDG-UHFFFAOYSA-N 438.578 5.669 30 20 IKED CC(C)(NC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F)c1nc(C(F)(F)F)cs1 482367620 DLPJSRBKIOZVKN-LLVKDONJSA-N 447.351 5.278 30 20 IKED O=C(Nc1ccc(N2CCCC2=O)c(F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 483036611 QQYGIRBHLRMOAO-UHFFFAOYSA-N 434.311 5.242 30 20 IKED CCN(CC(=O)Nc1ccccc1SCC#N)[C@H](C)Cc1ccccc1C(F)(F)F 483429561 ZQMQZWRKAYMPHI-MRXNPFEDSA-N 435.515 5.213 30 20 IKED COCCN(C[C@H]1CC=CCC1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 483703889 VAWNIIGFXOWNTE-NRFANRHFSA-N 433.552 5.282 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 485695741 MHGJTTMMWCHJHZ-SFHVURJKSA-N 427.342 5.366 30 20 IKED C[C@@H](Oc1cccc(F)c1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 487354034 ONJVGNOGFRNIBI-GFCCVEGCSA-N 449.429 5.169 30 20 IKED C=CCn1c(SCc2cccc(C(=O)N3CCCCC3)c2)nnc1-c1ccccc1C 488909111 BBJGKPOEXPHCQY-UHFFFAOYSA-N 432.593 5.358 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl 498477940 QXFIUFBVIDIHMD-QWHCGFSZSA-N 436.364 5.145 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccccc2COCc2ccccc2)cc1 499978027 INJKYRCKNFJSAG-UHFFFAOYSA-N 448.522 6.106 30 20 IKED CC(C)(COCc1ccccc1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 502162075 LDTNTGUGJLAFLW-UHFFFAOYSA-N 443.547 5.449 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)Nc2ccc(NC3CCOCC3)cc2)cc1 502656185 UHZMGSSDTACFMY-UHFFFAOYSA-N 428.492 5.585 30 20 IKED O=C(c1csc(-c2ccc(F)c(F)c2)n1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 503130043 GKBQSWJELOQZLY-UHFFFAOYSA-N 430.320 5.045 30 20 IKED CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1sc2ccc(C#N)cc2c1C 504383146 ZXNZZUQOQOZKLW-UHFFFAOYSA-N 449.576 5.348 30 20 IKED N#C[C@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1cccc(Cl)c1Cl 505314268 MSBKLMXMEUTDJV-INIZCTEOSA-N 430.316 5.302 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1ccc(Br)c(F)c1 507576686 CZTNKFVEIBOBDX-UHFFFAOYSA-N 440.272 5.137 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1Cl 510024576 WBNOZDMHAAVPIB-XMMPIXPASA-N 444.966 5.345 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)CC2)cc1 510064386 DNDGJWMKKDUTQT-UHFFFAOYSA-N 438.487 5.442 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@@]2(CCc3ccccc32)C1 510828955 ZREQUHLGAUBTEI-MHZLTWQESA-N 439.515 5.365 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@@H](C[C@H]3CCOC3)c3ccccc3)cc2)cc1 512195123 JCIWPFDWBAWKAU-RLWLMLJZSA-N 426.516 5.443 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCn3cccc3[C@@H]2c2ccccc2)c1 513468802 KLTNHYWMGWBSIE-MHZLTWQESA-N 433.511 5.184 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H](C)c2c(F)cccc2F)cc1OCC 513622749 XYJKOBSQNUZMJD-ZDUSSCGKSA-N 426.301 5.542 30 20 IKED N#CCCn1cc(C(=O)CSc2nnc(Nc3ccccc3F)s2)c2ccccc21 513751538 FEQMVOWNTVCYBZ-UHFFFAOYSA-N 437.525 5.264 30 20 IKED CC(C)CNC(=O)c1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1 518030124 QHJOAQJGULOJBE-UHFFFAOYSA-N 431.467 5.128 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCCCOc3cccc(C#N)c3)cc2F)c1 518910647 MVQZGYIRIFXAEY-UHFFFAOYSA-N 443.478 5.336 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CNC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 519056729 JUOQYTDKPOZFGD-UHFFFAOYSA-N 440.286 5.026 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 519434042 LEMNDBBKLJVQSN-ASSNKEHSSA-N 443.981 5.159 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)c1 520340466 JJRIZNZUOABEKN-UHFFFAOYSA-N 448.910 5.047 30 20 IKED N#C[C@H](NC(=O)COC(c1ccccc1)c1ccccc1)c1ccc(Cl)c(Cl)c1 521017161 DTFAXOPVMMJRGC-NRFANRHFSA-N 425.315 5.480 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c1 522641414 GAZGOTAMUFXARP-UHFFFAOYSA-N 447.922 5.088 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1 523287154 MELHSEBXRCJNAS-GOSISDBHSA-N 443.528 5.360 30 20 IKED COc1cccc([C@H](NC(=O)CSCc2ccc(C#N)cc2)c2ccccc2Cl)c1 525009000 SXVUJWONMFRXFM-DEOSSOPVSA-N 436.964 5.359 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)C3(Cc4cccc(Cl)c4)CCCC3)CC2)c1 525024765 BSLJNSQWTFVFFO-UHFFFAOYSA-N 449.982 5.192 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](c2cccc(C(F)(F)F)c2)N(CC)CC)cc1 531043071 DGKUPTAMTPHTRV-HXUWFJFHSA-N 448.489 5.035 30 20 IKED Cc1cc(NCc2nnc(-c3ccc(C#N)cc3)o2)nn1-c1ccc(Cl)cc1Cl 537437577 QUCKCTCBLNSSQD-UHFFFAOYSA-N 425.279 5.021 30 20 IKED O=C(Nc1ccc(C(F)(F)F)cc1Br)c1ccc(F)cc1C(F)(F)F 537464363 QNZJCCHRCIYKTJ-UHFFFAOYSA-N 430.117 5.878 30 20 IKED C[C@@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc(OCc2nccn2C)cc1 543960907 FNCAVQACKAYITN-NHCUHLMSSA-N 436.559 5.950 30 20 IKED CC(C)(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc([N+](=O)[O-])cc1F 547246827 QNOHORLTAPYVQS-UHFFFAOYSA-N 447.466 5.295 30 20 IKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N1CCC(C#N)(c2ccccn2)CC1 548769450 ANESWJHDOPRNRS-UHFFFAOYSA-N 446.554 5.232 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)c2oc3ccccc3c2COc2ccccc2)CC1 548840767 IEMZACOZGQFTCD-UHFFFAOYSA-N 437.499 5.104 30 20 IKED CC(C)(c1cccc(C(F)(F)F)c1)c1noc(-c2cnc(C(F)(F)F)c(C#N)c2)n1 551190475 OSMIUDQZSKAIQM-UHFFFAOYSA-N 426.320 5.367 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)c1 552484935 IGFBDJPJRIJDNK-CYFREDJKSA-N 432.907 5.512 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C1(c2cc(F)cc(Br)c2)CC1 553114615 OUBZLXBDGMNWEY-UHFFFAOYSA-N 434.353 5.002 30 20 IKED CC(C)c1ccc(OC2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)CC2)cc1 560438039 CHECTUDAGDHFRZ-UHFFFAOYSA-N 449.570 5.107 30 20 IKED CN(Cc1ccc(Cl)cc1Cl)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 603649048 RLLHPNOGLHSAFG-UHFFFAOYSA-N 431.348 5.576 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 603649211 QINSPEIXCLUYDE-UHFFFAOYSA-N 431.348 5.576 30 20 IKED CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603691965 ZVKOBQLICWRWLN-UHFFFAOYSA-N 426.398 5.428 30 20 IKED C[C@@H]1Sc2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)cc2NC1=O 604026885 KPMBSDQGGCIREE-ZDUSSCGKSA-N 449.919 5.689 30 20 IKED CC(=O)N[C@@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc(C)cc1 604027251 QUSITZAHTZSUBY-QHCPKHFHSA-N 447.922 5.518 30 20 IKED C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 606176665 SSFKTCDJGZJOGP-SNVBAGLBSA-N 439.327 5.726 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)c1ccccc1C(F)(F)F 607535924 CCGLZSHVOIZZIR-UHFFFAOYSA-N 429.332 6.334 30 20 IKED N#Cc1cccc(NC(=O)C[S@@](=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 608784299 RDLNWTYGZSJTKI-GDLZYMKVSA-N 443.355 5.342 30 20 IKED COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1 608917950 FVMJLRJAPSXAOO-SANMLTNESA-N 445.538 5.610 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1Cl 609164551 QHBCUQYUIBMAJM-LJQANCHMSA-N 430.851 5.637 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)n1 609322072 XGZTYHHQFBRUFR-ZDUSSCGKSA-N 448.472 5.140 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc(OC(F)(F)F)cc1 609378619 TUDUBJWQGKHZIE-UHFFFAOYSA-N 448.388 5.791 30 20 IKED Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 609434822 TVERFJQHDAIIJC-WIYYLYMNSA-N 439.581 5.594 30 20 IKED COC(=O)C[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(SC)cc1 609435463 PNCREOBBHUKNCK-HNAYVOBHSA-N 443.594 5.229 30 20 IKED N#CCCn1cc(/C=C/c2nc(-c3cccnc3Oc3ccccc3)no2)c2ccccc21 609475372 VKLPHPFFURYYTE-BUHFOSPRSA-N 433.471 5.963 30 20 IKED Cc1ccc(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1NC(=O)C(C)(C)C 609555939 YWADLDCASKFXIE-UHFFFAOYSA-N 448.567 5.363 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 609685101 QIPLXQYTDFKXHG-WJOKGBTCSA-N 434.561 5.223 30 20 IKED CCc1nc2cc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)ccc2o1 609810472 RWRNKWSTMFTJIK-UHFFFAOYSA-N 428.467 5.635 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)c3cc(NC(=O)CC(C)(C)C)ccc3Cl)c2C#N)C1 610221092 YNIXYILRQDUCOW-CYBMUJFWSA-N 444.000 6.025 30 20 IKED N#CCCN(C(=O)c1sc(-c2ccccc2)nc1C(F)F)c1ccc2c(c1)OCCO2 611185167 PDPOGBMTHBGXHZ-UHFFFAOYSA-N 441.459 5.079 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccccc2)c1C1CC1)c1nc(-c2ccc(Cl)cc2)cs1 613319443 FEZZICPCMLOEGC-IBGZPJMESA-N 444.947 6.017 30 20 IKED COc1cc2ccccc2cc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613404577 ORPYWWKTNJEKMO-INIZCTEOSA-N 426.419 5.967 30 20 IKED N#Cc1cc2c(nc1NC(=O)c1cnc(-c3ccc(C(F)(F)F)cc3)s1)CCCC2 614299397 SVBPNYFPSAZKEO-UHFFFAOYSA-N 428.439 5.227 30 20 IKED C[C@H](NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 618547206 NZADYQFUHUQMCX-ZWKOPEQDSA-N 436.318 5.539 30 20 IKED N#Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnc1C(F)(F)F 645955573 MXDBYWNDPWBWNM-LLVKDONJSA-N 440.328 5.091 30 20 IKED C=CCn1c(-c2cc3ccccc3o2)nnc1N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 669818249 GQFAQXAHHCRJRZ-CHWSQXEVSA-N 430.352 5.054 30 20 IKED CC1(C)C(=O)Nc2ccc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc21 676104170 VYZDBKKYMYAORN-GFCCVEGCSA-N 429.423 5.035 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@@H]1Cc1ccc(Br)cc1 725854877 ZCDHGMBKLFCEKI-GOSISDBHSA-N 429.362 5.116 30 20 IKED CCN(C[C@H](C)C#N)Cn1nc(-c2ccccc2Cl)n(-c2ccccc2F)c1=S 726964318 ZNBKZNIQJPCKLI-OAHLLOKOSA-N 429.952 5.302 30 20 IKED COc1ccccc1SC[C@@H](C)CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 729035993 KRZJJZSXJQIPHC-WMZHIEFXSA-N 445.588 5.901 30 20 IKED COc1cc(/C=C2\Cc3c(C)cccc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 729151956 ZDTASRCCFSFMSZ-LDADJPATSA-N 447.918 5.497 30 20 IKED COc1ccc(C(C)(C)CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC 730061177 QIRBZDPVZOGECH-QHCPKHFHSA-N 443.547 5.459 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C/C(=O)c1ccc(N2CCCC2=O)cc1 730578102 KIVHURQXXLWOTP-OUKQBFOZSA-N 437.902 5.055 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1nc(-c3ccccc3)cs1)O[C@@H](C)C2 730686759 JFISKUJLKAITDI-CEDBRAGKSA-N 444.556 5.512 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc(C)c1OC(F)F 730920818 PUYXKODTEODLAE-HNNXBMFYSA-N 427.234 5.173 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2ccc(F)cc2s1 731069886 NASSZHVCNSVMMC-ZDUSSCGKSA-N 428.510 5.230 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 731990786 IOAHJYVCQYDQRE-UHFFFAOYSA-N 430.464 5.345 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2sc(-c3ccc(F)cc3)nc2C)cs1)C1CC1 734304706 SZTVZKQOGKEFLV-YFHOEESVSA-N 427.526 5.126 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)cc1 734929369 NEXSQUGDQJPREO-ZEQRLZLVSA-N 447.991 6.317 30 20 IKED Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 735165998 WEEZXJUNBPCDMB-QGZVFWFLSA-N 448.906 5.805 30 20 IKED C[C@H](C#N)Oc1ccc(CN[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1 742382988 QPODAOWSBXCUSL-CRICUBBOSA-N 434.923 5.281 30 20 IKED COc1ccc([C@@H](NCc2ccc(N(C)CCC#N)cc2)c2ccccc2Cl)c(C)c1 742389017 WPXFWARRDVFITQ-AREMUKBSSA-N 433.983 5.886 30 20 IKED COc1ccc(/C=C2\CCc3cc(C#N)ccc3C2=O)cc1OCc1ccc([N+](=O)[O-])cc1 742437855 RZLAKDPKWHHOEJ-CIAFOILYSA-N 440.455 5.267 30 20 IKED C#CC[C@H](OC(=O)c1cccc(Sc2cccc(Br)c2)n1)c1ccccn1 744100835 NMFHCSJQGYBRCJ-IBGZPJMESA-N 439.334 5.312 30 20 IKED CCN(C(=O)c1ccc(-c2ccccc2Br)n1C)[C@H](C)c1ccc(C#N)cc1 751364625 QLGZDJMZBAPPRB-MRXNPFEDSA-N 436.353 5.550 30 20 IKED C[C@H](CSc1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 756222269 BRCCTFGGTGQESP-MLGOLLRUSA-N 441.553 5.019 30 20 IKED C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1C#N)C(=O)Nc1cccc(Cl)c1Cl 758121057 RPAYTNGFQAKWEW-SECBINFHSA-N 431.197 5.068 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)cc1Cl 761274941 QYEMJDCENWTTNO-RUZDIDTESA-N 446.934 5.590 30 20 IKED C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCC(c3ccncc3)CC2)c1=S 762097466 AFGRFAOHOPWLAL-UHFFFAOYSA-N 425.989 5.153 30 20 IKED O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1ccc(Cl)nc1C(F)(F)F 766936814 GZFXNMVVCDKANL-UHFFFAOYSA-N 440.746 5.373 30 20 IKED CCCN(CC)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cn1 773979348 HQRCBSGKEXYMCX-OAQYLSRUSA-N 442.519 5.071 30 20 IKED C[C@H](N[C@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1cccc(C(F)(F)F)c1 774796436 HROKRXJQCHIMSS-JGVFFNPUSA-N 426.307 5.079 30 20 IKED N#C[C@@H]1C(CN[C@H](CCc2ccccc2)c2ccccc2)=CC(=O)n2c1nc1ccccc12 775178177 DWPRGFZTNAQCJQ-DNQXCXABSA-N 432.527 5.187 30 20 IKED CC(=O)N1C/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)c2ccccc2C1 778517390 KOIFWUJEOQMTQV-LDADJPATSA-N 436.305 5.338 30 20 IKED Cn1c(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nc2cc(Cl)ccc21 779396634 KNBGDXFRKZDPLA-HXUWFJFHSA-N 429.911 5.204 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)NCCOc1c(Cl)cc(Cl)cc1Cl 780671676 XAKRTVUBYSGXHM-NSHDSACASA-N 428.703 5.138 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)C(=O)NCc1cccc(Cl)c1 786537614 SMYAHYCSORCYPN-QGZVFWFLSA-N 444.343 5.064 30 20 IKED Cc1oc(-c2cccs2)nc1C(=O)OC[C@@H](C#N)Cc1ccccc1Br 786643552 XNVJZWNKRUVFSV-CYBMUJFWSA-N 431.311 5.013 30 20 IKED CC(C)c1ccc(C(=O)[C@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 787050482 DNLMLDDHNIFAPH-PXAZEXFGSA-N 448.306 5.225 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 793947184 FUHSLYXBMWZEIX-DHIUTWEWSA-N 443.547 5.069 30 20 IKED FC(F)c1ccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)cc1 794489816 GBNBDQLEVXGCAB-UHFFFAOYSA-N 429.279 5.272 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797566355 HHMBEKLGAJQQAT-SFHVURJKSA-N 426.973 5.316 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)cc1 802614305 XWGNOJJEABRCQS-KMQNXVAFSA-N 449.554 5.218 30 20 IKED Cc1cc(=O)oc2cc(N(C)C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)ccc12 805345575 PFTLBNMWLIRQFY-UHFFFAOYSA-N 428.419 5.181 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccc(Oc3cccnc3)cc2)cc1C#N 808840194 XJZVCICVIRXDCL-INIZCTEOSA-N 445.479 5.197 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)cc1C#N 808869338 YKCFURGGUCUSAR-GFCCVEGCSA-N 436.390 5.100 30 20 IKED CC(C)(C(=O)[C@H](C#N)c1ccc2ccccc2n1)c1csc(-c2c(F)cccc2Cl)n1 810521392 NLQGHZNNZRXNBL-OAHLLOKOSA-N 449.938 6.305 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)OC(=O)c1cccc(C#N)n1 810599410 FRTILFFZUFBCHC-LBPRGKRZSA-N 428.311 5.066 30 20 IKED C/C(C=Nn1cnnc1SCc1ccc(Cl)cc1)=C\c1ccccc1OC(F)F 811635900 QAVQHBRLRJSMDD-DPBZXLMPSA-N 434.899 5.763 30 20 IKED COc1ccc(-c2csc(/C=C\c3cn(CCC#N)nc3-c3ccccc3)n2)cc1OC 916141532 GJVRLBHZAVXLFM-BENRWUELSA-N 442.544 5.775 30 20 IKED CCOc1cc(C#N)ccc1OC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 916877014 WPQQXBNZQXAJKN-UHFFFAOYSA-N 440.908 5.452 30 20 IKED CCOc1c(Cl)cc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC 916942103 GAGFLMOICBPWTI-CQSZACIVSA-N 441.698 5.015 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(C)s2)ccc1OCC(=O)N(C(C)C)C(C)C 917044530 TUDCVJVZGCWFKL-PKNBQFBNSA-N 429.582 5.376 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3cccc(Cl)c3Cl)n2)cc1 920138856 LBCFEFNAINFBJP-WFASDCNBSA-N 447.343 5.769 30 20 IKED C[C@H](Sc1ccccc1Cl)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806399 KQHBKURVCQSRBJ-RYUDHWBXSA-N 434.920 6.099 30 20 IKED CC(C)[C@H]1CC[C@H](C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)c[nH]4)cc3)CCC2)CC1 1790148642 BTJTZNWFDLVMAS-MXVIHJGJSA-N 432.568 5.096 30 20 IKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H](C)c1ccccc1)C2)c1ccccc1 1798556325 KQFCUEOSFIFPEM-FPHQKMJTSA-N 442.603 5.016 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3ccoc3c2)[C@@H]1c1cccnc1 1812144640 HNLMDCFAPBXZPQ-VWNXMTODSA-N 445.563 5.140 30 20 IKED C=CCC(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(CCCCC)cc2)[C@H]1c1cccnc1 1813052471 LPMUPMPOMCBTTP-UOTZPRLLSA-N 445.607 5.110 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccccc3n2C)CC1 1827991454 AXPHSIYIYQWWKL-VWLOTQADSA-N 447.623 5.180 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cccc(C)c3[nH]2)CC1 1828546242 PVMHAIXOLKOYSV-ILBGXUMGSA-N 447.623 5.478 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cccc(C)n2)CC1 1829064636 GSJJCUAYMKSMQF-JHUUHBRDSA-N 437.628 5.015 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C3CCCC3)CC2)c1 1830351409 MBWUQGNNPWGSGJ-WQPADMOLSA-N 447.623 5.293 30 20 IKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2ccccc2)c1 20834589 TWZPJRILRHHWCU-UHFFFAOYSA-O 430.380 5.949 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1C1CC1 21667919 AEEYCJQRZMZSSQ-JTQLQIEISA-N 430.883 5.133 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cccc(C)c2C)cc1 22729358 FDEZCXYUIRBJTO-UHFFFAOYSA-O 439.551 5.873 30 20 IKED Cc1cc(-c2cc(C(=O)N(C)Cc3cccc(C#N)c3)c3cnn(C(C)C)c3n2)c(C)o1 25104006 GYCMGKMPUIOLLN-UHFFFAOYSA-N 427.508 5.033 30 20 IKED CCCc1ccc([C@@H](NC(=O)CCc2c(C)nn(CCC#N)c2C)c2cccs2)cc1 36723789 HMSTYZHKZLNYKQ-RUZDIDTESA-N 434.609 5.266 30 20 IKED COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 58642414 XYJXFPRVTFOXFB-QFIPXVFZSA-N 427.504 5.598 30 20 IKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCc3nnc(-c4ccccc4)o3)c2C#N)C1 61440331 IDMBDCKSVLIMGX-MRXNPFEDSA-N 434.565 5.392 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1ccc(Cl)cc1Cl 97543288 XSWVBVLIKAZIEG-OAHLLOKOSA-N 440.330 5.883 30 20 IKED Cc1ccc(-c2csc3ncnc(OCC(=O)Nc4ccccc4SCC#N)c23)cc1 97653849 AJCAUNUQEDTJAY-UHFFFAOYSA-N 446.557 5.300 30 20 IKED N#CCCCOc1cccc(/C=C2\CC/C(=C\c3cccc(OCCCC#N)c3)C2=O)c1 207617662 LCORAJQXUVEGRS-GJHDBBOXSA-N 426.516 5.882 30 20 IKED N#CCCCOc1cccc(/C=C2/SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)c1 207619803 KEVQTFDDZOGXCN-LDADJPATSA-N 431.439 5.470 30 20 IKED N#Cc1ccccc1COc1cccc(CNCc2ccc(NC(=O)c3ccco3)cc2)c1 238111712 WTTNWIUVJOQACO-UHFFFAOYSA-N 437.499 5.272 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 301218844 ULWFHNLOJPTYSS-UHFFFAOYSA-N 428.435 6.001 30 20 IKED COc1ccc(-n2c(S[C@@H](C)c3ccc(C#N)cc3)nnc2-c2ccccc2OC)cc1 303679190 IOBBFFFYZGUUFQ-KRWDZBQOSA-N 442.544 5.676 30 20 IKED Cc1csc(-c2cccc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)c2)n1 303845082 TZNCAJCRZPMAJY-UHFFFAOYSA-N 425.513 5.822 30 20 IKED CC(C)c1cnc(-c2ccc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)cc2)o1 428719807 KUNJORUAATVGGZ-UHFFFAOYSA-N 425.492 5.494 30 20 IKED N#Cc1cccc(-c2cc(-c3nc(-c4ccc(Oc5ccc(F)cc5)nc4)no3)on2)c1 432666380 FYGPCBMKZYEOJY-UHFFFAOYSA-N 425.379 5.257 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@@H](C)Oc2cccc3ccccc23)c1C#N 435661347 DGXGGBJGSOTUKN-MRXNPFEDSA-N 428.517 5.025 30 20 IKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c12 436335057 GOXCCPAYXUYPRV-CTNGQTDRSA-N 440.503 5.518 30 20 IKED Cc1ccc(C[C@@H](NC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccccn2)cc1 438063131 GZNBBVGOBZNKQE-WMZHIEFXSA-N 430.577 5.747 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 438082156 SGTUBGUMFSYIFQ-JTHBVZDNSA-N 446.938 5.618 30 20 IKED CCCc1c(NC(=O)N2CC[C@H](Oc3ccccc3Cl)C2)cnn1-c1cccc(C#N)c1 439698415 VVZUBPXDRKBLCI-IBGZPJMESA-N 449.942 5.035 30 20 IKED CC(C)CC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1F 442669746 HMTRAJSHYPGNBL-CQSZACIVSA-N 429.904 5.563 30 20 IKED Cc1cc(I)ccc1NC(=O)c1cn(CCCC#N)c2ccccc12 443854636 DNXJRISSXKKBCH-UHFFFAOYSA-N 443.288 5.110 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2cc(C)cc(C)c2Br)c1C#N 445563664 LTZFRUWRDCIOGY-UHFFFAOYSA-N 441.354 5.098 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1csc(C)n1 460565759 ZVQZKKLRZMIJFS-FOIQADDNSA-N 427.549 5.240 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 460567543 YGKPJEBSKWITNK-CMOCDZPBSA-N 426.630 5.210 30 20 IKED C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@H]1c1cc(F)cc(Br)c1 460769921 PMQINNRXPYDVGW-IBGZPJMESA-N 442.336 5.159 30 20 IKED C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H]1c1ccccc1Cl 460813738 LHWJPRLUNRHISP-HXUWFJFHSA-N 446.942 5.165 30 20 IKED COc1cc(C)c(Br)cc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 462853971 RQGDQZGXXPYXTR-LPHOPBHVSA-N 428.330 5.070 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(-c2cscn2)c1 463486651 JMENYTDLSUYSEG-UHFFFAOYSA-N 425.513 5.822 30 20 IKED COc1cccc(Cl)c1-c1noc(C)c1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 464418244 AMOMESCNXFDKPL-GFCCVEGCSA-N 435.789 5.216 30 20 IKED CN(Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H](c1ccc(Cl)cc1)C1CCCC1 467512102 GRVLBDWWQVIQCE-RUZDIDTESA-N 433.987 5.875 30 20 IKED Cc1ccc(-c2nnc([C@@H](C)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)o2)cc1C 468773657 BASJACITQWUULU-GOSISDBHSA-N 429.524 5.110 30 20 IKED CC(C)c1ccc2c(c1)[C@@H](NC(=O)Nc1ccc3c(c1)CCC(=O)N3CCCC#N)CCC2 470538936 UHQOKTWULJVASC-DEOSSOPVSA-N 444.579 5.592 30 20 IKED C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 470541784 CNEONFAXVZCCPH-SBUREZEXSA-N 434.515 5.024 30 20 IKED COc1ccccc1[C@@H](CC(C)C)NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470549307 MKLLLSNWZLSONF-JOCHJYFZSA-N 448.567 5.187 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@H](c2ccsc2)O1 470793910 ODLFVBPBEKNOSJ-HOYKHHGWSA-N 447.560 5.387 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3ccccc3Oc3cccc(F)c3)C2)n1 471256532 DOGKHIWMKFRPNM-IBGZPJMESA-N 430.483 5.048 30 20 IKED Cc1c(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cccc1NC(=O)N(C)C 471357462 OLPMOIZYPILDMJ-GOSISDBHSA-N 441.535 5.510 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 475570549 JMDBGZLTFNRZOW-BGYRXZFFSA-N 449.595 5.110 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(Br)c(Cl)c1 477342399 OCOUWRBGVGNCBK-UHFFFAOYSA-N 442.700 5.722 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC3(CCOCC3)c3ccccc32)c1 481416077 HESOVIVUGMRRPM-UHFFFAOYSA-N 444.918 5.713 30 20 IKED N#Cc1ccc(SCC(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cc1 482132940 MEYZEENCDALQSX-UHFFFAOYSA-N 432.983 5.086 30 20 IKED Cc1cc(C)c(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1Br 486361854 ANNLLVKPKGNXDE-UHFFFAOYSA-N 428.330 5.013 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)CCCc3ccc(Br)s3)s2)cc1 487354100 OVFWVCBMAHKPLN-UHFFFAOYSA-N 446.395 5.391 30 20 IKED CN(Cc1ccccc1OC(F)(F)F)C(=O)Nc1cc(F)c(OC(F)F)cc1F 491246454 GMLIQHJWYVQYAY-UHFFFAOYSA-N 426.288 5.129 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ncon2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 499597027 ZVTMOAIERUBTPI-OAHLLOKOSA-N 441.299 5.657 30 20 IKED COc1ccc(-c2nc(CC(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)cs2)cc1OC 505831502 IGVATLXUXYCMQE-HXUWFJFHSA-N 449.576 5.048 30 20 IKED N#C[C@H](NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccc(Cl)c(Cl)c1 505964715 DTYFHGZWLCWZGV-FQEVSTJZSA-N 442.277 5.379 30 20 IKED O=C(Nc1ccccc1CCC(F)(F)F)N[C@H](c1c(F)cccc1F)C(F)(F)F 506734634 DXIXTYGEVYVEIY-OAHLLOKOSA-N 426.307 5.885 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccccc2I)cc1 507920142 JZWGMVJAIOXPAB-UHFFFAOYSA-N 440.240 5.207 30 20 IKED C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@H](c2nccs2)C1 508700384 SJTVXRYAHBELSC-IBGZPJMESA-N 437.613 5.315 30 20 IKED CN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510024673 VWSNYSBZTOZAHE-FQEVSTJZSA-N 433.895 5.388 30 20 IKED N#C[C@@H](C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)c1nc2ccccc2s1 513655474 RGYGCPMXWMSCRL-HNNXBMFYSA-N 445.504 5.235 30 20 IKED N#CCCCOc1cccc(NCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 515660738 TXWPRNMXOXINTQ-UHFFFAOYSA-N 445.363 5.457 30 20 IKED Cc1ccc([C@H](C)NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 516386902 VJVLYGHOOMUJHO-SFHVURJKSA-N 429.545 5.089 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccc(Cl)cc4)c3)n2)cc1 516713980 MUHCUDQAFQHCTJ-LJQANCHMSA-N 429.892 5.011 30 20 IKED COc1cccc(/C=C(/CC(=O)N(C)c2cccc(C#N)c2)c2nc3ccccc3s2)c1 516820998 BLLISURMSVMSTN-MOSHPQCFSA-N 439.540 5.770 30 20 IKED CCOc1ccc(-c2nc(CN3CCC(Oc4cccc(C#N)c4)CC3)cs2)cc1OC 517135119 JHMDWQGWRFZBBL-UHFFFAOYSA-N 449.576 5.132 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1O 517312109 BXECKGAXSAAEOE-HXUWFJFHSA-N 435.911 5.374 30 20 IKED COc1ccc(C2(NC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2)cc1 518313478 DKXKLOSUDLMWNT-UHFFFAOYSA-N 427.504 5.151 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 521799681 FBCXGWAQWKPNTM-NSHDSACASA-N 434.011 6.480 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 522072430 MSHGTYQPAWRXQL-IRXDYDNUSA-N 444.551 5.003 30 20 IKED CCN(Cc1cc(C)c(OCc2ccccc2C)c(C)c1)S(=O)(=O)CCCCC#N 523735397 KEDKKSNRSMUMCU-UHFFFAOYSA-N 428.598 5.036 30 20 IKED COc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1NC(C)=O 523890448 UYFCWQGELBTJGV-UHFFFAOYSA-N 435.867 5.223 30 20 IKED Cc1noc(-c2ccc(C)c(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)c2)n1 523957421 XZOLZQNFSDZOPB-UHFFFAOYSA-N 444.878 5.923 30 20 IKED CC(=O)N[C@@H](CC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N)c1ccc(C)cc1 524650460 BCVNXOMOYOEAOP-DEOSSOPVSA-N 445.950 5.321 30 20 IKED CC(=O)N(c1nc(CSc2ccccc2C#N)cs1)c1c(C)cc(C)cc1Cl 525600372 SKPNXMHEAINVQW-UHFFFAOYSA-N 427.982 6.262 30 20 IKED COc1ccccc1-c1cc(NC(=O)c2c(F)cc(C#N)cc2F)n(-c2ccc(C)cc2)n1 530789210 AIWGPBRVRPCEDJ-UHFFFAOYSA-N 444.441 5.259 30 20 IKED C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC(Oc2cccc(C#N)c2)CC1 533287478 DXJUEBLEPRCHFZ-HXUWFJFHSA-N 425.532 5.096 30 20 IKED CN(C(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1)c1ccccc1 535315982 XXDQTWHPWLJRSD-JOCHJYFZSA-N 437.524 5.577 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)Cc1cn(CCC#N)nc1-c1ccccc1 536661111 ZKNXHXFNSKUONL-FQEVSTJZSA-N 441.604 6.089 30 20 IKED O=C(CN[C@H](CC(F)(F)F)c1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl 540381657 ZIONRGGYSGSZFG-OAHLLOKOSA-N 442.762 5.720 30 20 IKED Cc1nc(-c2ccc([C@H](C)NC(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)cc2)cs1 540979717 LXFMCRYEBSASJS-AWEZNQCLSA-N 446.511 5.198 30 20 IKED Cc1cc(Oc2ncccn2)ccc1NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 541065455 IZPYMLZJWDMFRA-LJQANCHMSA-N 449.514 5.999 30 20 IKED Cc1ccc(C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)cn1 541176248 AGMIEQWVNWULOI-UHFFFAOYSA-N 426.520 5.774 30 20 IKED C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1nc(-c2ccccc2)cs1 544486819 QVJFTTGJWKFUAU-OAHLLOKOSA-N 436.606 5.301 30 20 IKED C=CCOc1ccc(/C=C/c2nc(-c3ccc(C(=O)N4CCC[C@@H]4C)cc3)no2)cc1OC 545143125 ICNVHYCTUQJVLL-QKAYDNCFSA-N 445.519 5.105 30 20 IKED N#CCCn1cc(/C=C/c2nc(Cc3nc4ccccc4n3C(F)F)no2)c2ccccc21 545621371 HCAWAJQJDAGYAD-ZHACJKMWSA-N 444.445 5.444 30 20 IKED CC[C@@H](C)n1c(SCC(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1ccccc1 553945435 PZBNXSPWOXPUCK-QGZVFWFLSA-N 437.544 5.094 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cccc(-c3ccccc3)c2)CC1 557958763 RDUJOXFYELWPJY-UHFFFAOYSA-N 438.487 5.328 30 20 IKED N#C[C@@H](C(=O)c1ccc2nc(C(F)F)[nH]c2c1)c1nc(-c2c(F)cccc2F)cs1 558393259 OLVMGEMGFLSOFC-JTQLQIEISA-N 430.386 5.392 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@H]3C[C@@H]3c3ccccc3OC(F)F)cc2)ccn1 558512670 UXRRAMXTOGKWNO-UXHICEINSA-N 436.418 5.025 30 20 IKED C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 567968468 JRZKKINZBGRSHG-VQIMIIECSA-N 449.555 5.694 30 20 IKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N(C)CCOCc1ccc(C#N)cc1 581333880 AFMUXWGQBPRVLR-UHFFFAOYSA-N 447.510 5.265 30 20 IKED CCN(C(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12)[C@H](C)c1ccc(C#N)cc1 603528790 ZNGKCVFPJIFNJM-MRXNPFEDSA-N 444.560 5.972 30 20 IKED CCn1ncc2c(C(=O)Nc3cccc(OCCCC#N)c3)cc(-c3ccccc3)nc21 603972090 QWFIVSPXDVAHBE-UHFFFAOYSA-N 425.492 5.053 30 20 IKED COc1ccc(-n2c(S[C@H](C#N)Cc3ccccc3)nnc2-c2cccc(OC)c2)cc1 604045326 PUXJDTUBHFPNSO-QHCPKHFHSA-N 442.544 5.178 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ccc(Br)s2)n1)c1nc2ccccc2s1 606754009 OZUKQEAMDRVBOW-VIFPVBQESA-N 446.376 5.734 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl 608882861 GYWFMTWUQDUKLF-UHFFFAOYSA-N 439.846 5.903 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCCc3ccc4c(c3)CC(=O)N4)cc2Cl)cc1 609166170 YDOADDBENURXAG-UHFFFAOYSA-N 445.906 5.460 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccccc3COCc3ccccc3)cc2)nc1 609502299 VHBHVGFOJDJFJJ-UHFFFAOYSA-N 435.483 5.715 30 20 IKED C[C@@H](Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 609768720 JIKQMCVWAGJRAB-CQSZACIVSA-N 448.504 5.248 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CNc1cc(Cl)ccc1SCC(F)(F)F 610132084 ADPUFQLCGQTLJP-UHFFFAOYSA-N 434.270 5.570 30 20 IKED Cc1cc(C)c2c(c1)c(C)cc1nnc(SCc3nnc(-c4cccc(C#N)c4)o3)n12 610219282 GFVFNDMPHCOAHZ-UHFFFAOYSA-N 426.505 5.022 30 20 IKED CCN(C(=O)N[C@H](C)c1cccc(C#N)c1)[C@H]1CCSc2ccc(Br)cc21 610356119 JTEIMQNNIKYYFR-KUHUBIRLSA-N 444.398 5.650 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4cccnc4)CC3)cc2Cl)cc1 611260945 FRZRKXCWQAPUMW-UHFFFAOYSA-N 432.911 5.810 30 20 IKED N#CCCCN1C(=O)CCc2cc(NCc3ccc(OCc4cccc(F)c4)cc3)ccc21 615728668 NZWHOUSMLBASJE-UHFFFAOYSA-N 443.522 5.600 30 20 IKED O=C(Nc1ccc(OC(F)F)c(Cl)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618539502 NLHQQWFZGGIVIC-YUMQZZPRSA-N 440.718 5.536 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)nnc1-c1ccco1 623291611 PFEBOXMEAUXHSG-DLBZAZTESA-N 432.549 5.235 30 20 IKED C[C@@H](NC(=O)NCc1cc(F)c(C(F)(F)F)cc1F)c1nc2ccccc2n1C(F)F 672353446 PJULUSQMUDTZCZ-SECBINFHSA-N 448.342 5.289 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(C(C)C)n1Cc1ccco1 673259290 QQXBOIOMMGMAOG-UHFFFAOYSA-N 428.583 5.052 30 20 IKED C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CC=C(C(F)(F)F)CC1 685542969 RXZSPWQEKUSZCQ-UHFFFAOYSA-N 440.469 5.409 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCCC4)cc3)SC2=S)cc1Cl 726626759 KYPOORZULSJTCS-UDWIEESQSA-N 439.993 5.608 30 20 IKED N#C[C@H](C(=O)CCc1ccccc1OC(F)(F)F)C(=O)Nc1ccc(Cl)cc1Cl 727627159 LPZSGYKOPNOOQP-CYBMUJFWSA-N 445.224 5.172 30 20 IKED CN(C)c1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)NCCCCC#N)cc1 728849757 CKERNWCKQMZYRS-VZCXRCSSSA-N 438.575 5.601 30 20 IKED C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)/C=C\c1ccc(Br)cc1 730997860 XAGJSAHCRIYTAW-BMSUMIBZSA-N 437.384 5.113 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H](O)c2ccc3ccccc3c2)cc1 731831415 QUPWHZUVXFVRRL-RUZDIDTESA-N 438.552 5.467 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1cc2cc(Cl)ccc2o1 733079907 MHMVAOFSHUZBOP-UHFFFAOYSA-N 431.805 5.793 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 733772652 BYMULJWPMUPVBE-JOCHJYFZSA-N 425.488 5.156 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 733844340 JJQCLEISKLQTPV-NRFANRHFSA-N 426.476 5.353 30 20 IKED O=S(=O)(O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1ccccc1C(F)(F)F 734153977 SXUISFOMQQQOHJ-AWEZNQCLSA-N 432.769 5.238 30 20 IKED COc1ccc2[nH]cc(C(=O)/C=C\c3cccc(NC(=O)c4ccccc4Cl)c3)c2c1 734307366 NTRNGIZXBKZHJY-XFXZXTDPSA-N 430.891 5.978 30 20 IKED N#CCCCOc1cccc(/C=C2\SC(=S)N([C@@H]3CCOc4ccccc43)C2=O)c1 743281622 CYKQWFNGYUQQIC-CBAAQYGVSA-N 436.558 5.094 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](C)c1ccccc1NC(=O)c1ccccc1 748021116 SPXNAHIUPVKXOR-KBMIEXCESA-N 442.515 5.518 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2nc(C)n(-c3ccccc3C(C)C)n2)cc1 750392774 SJAPBHSIRNHATE-JOCHJYFZSA-N 443.551 5.003 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)N(CCC#N)CC2CC2)c(C(F)(F)F)c1 750596305 BHCFGTQQRBITBS-UHFFFAOYSA-N 426.439 5.210 30 20 IKED COc1ccc(C(=O)/C=C/c2ccc(OCC(F)(F)F)c(OC)c2)cc1Br 750903766 QYXSVHSBQNJYOF-ZZXKWVIFSA-N 445.231 5.304 30 20 IKED C[C@@H](C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccc2ccccc2c1 753390663 RHQPZWJSANAQRC-KUHUBIRLSA-N 427.529 5.409 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1-c1ccccn1 754818105 MJYDMLSUUJAQQQ-MRXNPFEDSA-N 440.286 5.025 30 20 IKED CC(=NNc1ncnc2cc(-c3ccc(Br)cc3)sc12)C1CCOCC1 755891613 CZUWNBSLACWDPX-UHFFFAOYSA-N 431.359 5.335 30 20 IKED Cc1ccc(-n2nc(Br)cc2C(=O)[C@H](C#N)c2nc(C(C)C)cs2)cc1 756300181 MNSCTSZPDXQQFJ-AWEZNQCLSA-N 429.343 5.013 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(F)c(C(F)(F)F)c(F)c1 759431329 INHNXKUVKOWQQD-SECBINFHSA-N 437.151 5.252 30 20 IKED C=CCn1c(SC[C@@H](O)c2ccc(OC(F)(F)F)cc2)nnc1-c1ccccc1C 764703663 FQQMBQOFFNRJNV-GOSISDBHSA-N 435.471 5.164 30 20 IKED O=C(/C=C/c1sccc1Br)c1ccc(S(=O)(=O)C2CCCC2)cc1 764917120 LLEGXPFEPOGHNS-MDZDMXLPSA-N 425.369 5.123 30 20 IKED Cn1c(COC(=O)c2ccccc2SCc2ccc(C#N)cc2)nnc1-c1ccccc1 771312341 REBGLEAHUBOYLU-UHFFFAOYSA-N 440.528 5.003 30 20 IKED N#C[C@@H](COC(=O)c1csc(Cc2ccccc2)n1)Cc1cccc(Br)c1 774394601 FQDOKARHBHZCIX-KRWDZBQOSA-N 441.350 5.036 30 20 IKED C[C@@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)N1c2ccccc2Sc2ccccc21 777177585 NCOUKXCBINQSKE-QGZVFWFLSA-N 440.524 5.617 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(COc2cccc(Br)c2)o1 780164946 FTHYBMIZKBRVTM-CQSZACIVSA-N 441.281 5.164 30 20 IKED COc1ccc(-c2nn(CN3CCC[C@](C)(C#N)C3)c(=S)n2C2CCCCC2)cc1 784016729 WPSSYBGKZTURIR-HSZRJFAPSA-N 425.602 5.178 30 20 IKED O=C(/C=C/c1ccc2ccc(Br)cc2n1)c1nc(Br)ccc1F 794970783 NIZPCXKJADISRA-FNORWQNLSA-N 436.078 5.190 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)OC(=O)c1ccnc(C#N)c1 796724471 UEUBBPZFXNPQIO-GFCCVEGCSA-N 428.311 5.066 30 20 IKED O=C(OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1ncsc1C(F)(F)F 801699961 JJXBZQLJLSCONN-UHFFFAOYSA-N 427.219 5.094 30 20 IKED N#C[C@H](C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccc(Cl)cc2)cs1 802043676 LXIRXOBJHIHDJE-NVXWUHKLSA-N 438.833 6.369 30 20 IKED C[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1nccn1-c1ccccc1 805143569 JTWWHKMUVQZLGD-KRWDZBQOSA-N 427.533 5.033 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)c(SC(=O)N(C)C)c1 805439513 CSZQNCUELJSMKN-IBGZPJMESA-N 431.945 5.027 30 20 IKED N#C[C@@H]1C(CN(CC2CC2)c2cccc(C(F)(F)F)c2)=CC(=O)n2c1nc1ccccc12 810075582 MAJWNHZUGNQGPA-LJQANCHMSA-N 436.437 5.159 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)cc1 915097920 HAVKRPOBDFGMTK-OAQYLSRUSA-N 434.499 5.529 30 20 IKED CCOc1ccccc1N1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 915351893 HTSFVEIPNGUVIO-XMMPIXPASA-N 440.547 5.095 30 20 IKED C#CCOc1ccc(/C=C(\Cl)c2nc(=O)c3ccc(C(F)(F)F)cc3[nH]2)cc1OCC 916128111 RNBHGGCRJQXIDZ-YBEGLDIGSA-N 448.828 5.090 30 20 IKED CC(C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1Cl 916208951 BELSFBPJNYKHIQ-GOSISDBHSA-N 433.936 5.095 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Oc2ccccc2)cc1 916927226 GNKUJXVHZCNEPO-GOSISDBHSA-N 425.271 5.747 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(COc3ccccc3OC)o2)cc1 916947917 CDDISRPUUHVRBT-LAUBAEHRSA-N 446.503 5.342 30 20 IKED N#C[C@H](C(=O)COc1ccc2oc3c(c2c1)CCCC3)c1nc2ccccc2n1C(F)F 917039663 BMAVHZRVAZSYRP-QGZVFWFLSA-N 435.430 5.312 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c(C)n1[C@@H](C)c1ccccc1 917045323 XWTBKPWVOUBXSO-OXJNMPFZSA-N 432.474 5.949 30 20 IKED N#C[C@H](C(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1nc2cc(Cl)ccc2s1 917047040 PBMCUWOOPFCJQV-OWCLPIDISA-N 449.988 6.486 30 20 IKED N#C[C@@H](C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1nc2cc(Cl)ccc2s1 917047068 QEIRXVGCCKZBHZ-ZIUTZDDDSA-N 449.801 5.860 30 20 IKED O=C(/C=C/c1cnc(-c2ccccc2)nc1)c1ccc(Br)cc1Br 917145548 SNLUJZLGAFPUOD-RMKNXTFCSA-N 444.126 5.565 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2[nH]c(-c3ccccc3)nc2C)cs1 917560385 MZIXVNSTKOVJMZ-JLHYYAGUSA-N 446.507 5.561 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(-c3cccs3)cc2)cs1 917560614 SYDFVICJQNXCON-SDNWHVSQSA-N 444.581 6.761 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cnccc34)cc2)CCC1 1789391194 NLPYJQLJYKEJNJ-FQEVSTJZSA-N 428.536 5.079 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(NC(C)=O)c3)CCC2)cc1 1789625761 YDLVGPFYPVKNJB-UHFFFAOYSA-N 447.579 5.385 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccccc3OCC)cc2)CCC1 1790240584 ADAXOFLTBQGZLL-UHFFFAOYSA-N 428.479 5.044 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)CCC1 1790249116 XJJRSOJLVUTVTB-UHFFFAOYSA-N 429.442 5.003 30 20 IKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)C[C@H]4C[C@@H]5CC[C@H]4C5)CCC3)cc2)c1 1790766647 CDZMFRIPVDHTNS-YZGWKJHDSA-N 445.538 5.271 30 20 IKED CC(C)=CCCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792124802 JEWAARGXPVELSY-FQEVSTJZSA-N 429.564 5.808 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(Cl)ccnc3c1)C2 1792572603 IYNICZXBBSUNFE-REPLKXPHSA-N 439.987 5.132 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccccc2Cl)n[nH]1 1816904669 XYQBMAFLSCSEFR-OAQYLSRUSA-N 440.975 5.066 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2F)[nH]n1 1819307845 OQKHKSOBLYARQI-VGSWGCGISA-N 449.530 5.104 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1 1823753477 QKASEUQDJVCVFB-ONTLXTELSA-N 428.661 5.425 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc(F)ccc2F)CC1 1823755319 UHLSAPRFIPAIRI-HSZRJFAPSA-N 446.582 5.119 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(OC)c2C)CC1 1828829559 JDLDFYHDWUEUEY-UPVQGACJSA-N 438.612 5.005 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc(F)ccc2F)CC1 1829071417 PSAXOKZCBANDMM-QHCPKHFHSA-N 446.582 5.119 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccccc3F)o2)n(C2CCCC2)c1C 10469734 MMYRTGHJXKWPRC-UHFFFAOYSA-N 439.516 5.012 30 20 IKED COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OC 16408296 RHRGNADDMJKHLU-IZZDOVSWSA-N 449.459 5.096 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)nnc1-c1ccc(F)cc1 22217379 KHNDWMVRQBWRMK-CYBMUJFWSA-N 446.935 5.052 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)nnc1-c1ccc(F)cc1 24014969 YFQDQSUQIAFGCJ-DLBZAZTESA-N 436.556 5.119 30 20 IKED C=CCn1c(-c2ccc(F)cc2)nn(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1=S 27533223 HZUUWJUFUZIQQY-UHFFFAOYSA-N 447.923 5.057 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2cnn(-c3ccccc3)c2)cc1Cl 46861561 LARWAHDOINDVTB-QHCPKHFHSA-N 426.907 5.362 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)nnc1-c1ccccc1F 195677254 VIRPGYAURUWOGC-HNNXBMFYSA-N 444.963 5.235 30 20 IKED C=CCNC(=O)Nc1ccc(NCc2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 237270155 IFQRGFRKLWLKEM-UHFFFAOYSA-N 435.499 5.333 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2oc3ccccc3c2CN(C)C)cc1 303523160 FMMKISJYCVQBIA-UHFFFAOYSA-N 441.487 5.419 30 20 IKED O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1c(Cl)nc2sccn12 303940897 SPLLNPGHFDUSCT-CMDGGOBGSA-N 431.908 5.193 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCC(N(CCC)C(=O)c3cccs3)CC2)c1 431876851 DMDHJULLWBWXOL-UHFFFAOYSA-N 441.597 5.252 30 20 IKED COc1cc(C)ccc1Oc1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)cn1 432673349 VKGGNTODYCEQHK-OAQYLSRUSA-N 430.508 5.748 30 20 IKED N#CCCn1cc(CN2CCC(c3ccccc3C(F)(F)F)CC2)c(-c2ccncc2)n1 435123226 FKXIQNJIRAUPJN-UHFFFAOYSA-N 439.485 5.257 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2C[C@H](c3ccccc3F)C2)cc1 436353061 QNIOUKOEXAPCMZ-MEMLXQNLSA-N 429.495 5.538 30 20 IKED Cc1occc1C(=O)Nc1cc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)ccc1F 437849172 DGYNOUWOORATFF-REWPJTCUSA-N 446.482 5.283 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC(Cc2ccc(F)c(F)c2)C1 438681138 QALGKLKFUZQRST-UHFFFAOYSA-N 433.458 5.644 30 20 IKED N#CCC[C@H](NC(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1ccccc1 439390973 ZJJKIPWGEIICSX-QHCPKHFHSA-N 439.581 5.101 30 20 IKED N#CCC[C@@H](NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1ccccc1 439678874 RNSOHHQNGIZUII-MRXNPFEDSA-N 427.291 5.351 30 20 IKED CCCc1c(NC(=O)c2c[nH]nc2-c2cc3ccccc3o2)cnn1-c1cccc(C#N)c1 440097241 NFVNATHFUDHWBW-UHFFFAOYSA-N 436.475 5.085 30 20 IKED Cc1ccc([C@H](Cn2ccnc2)NC(=O)Nc2ccccc2SC[C@H](C)C#N)c(C)c1 442192180 ISXNWRAQYAOXCY-GCJKJVERSA-N 433.581 5.315 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 443871481 YANYSFQSPHDGIY-UHFFFAOYSA-N 441.365 5.838 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CN2CCCC(C)(C)[C@H]2C#N)cs1 444723670 ADDGICXCUTVXFG-GOSISDBHSA-N 436.503 5.361 30 20 IKED C=C(C)Cn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCO[C@@H](c2cccc(O)c2)C1 460779972 BFMHIWQDPKQDCU-HXUWFJFHSA-N 445.350 5.112 30 20 IKED O=C(N1CC2(CCC2(F)F)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 461275289 FDPXWUZMVNWBTJ-PJCYRADDSA-N 445.394 5.366 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccccc1COCc1ccccc1 465528280 OPRBAEDMSZHGQS-SVBPBHIXSA-N 439.559 5.385 30 20 IKED CCn1ncc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1C(F)(F)F 466498487 CMUDFWCZOUTYBN-UHFFFAOYSA-N 434.805 5.491 30 20 IKED COc1ccc(-c2nnc(SCCCSCC#N)n2-c2ccc(Cl)cc2)cc1 466616908 OPXLMVXWQQXIOM-UHFFFAOYSA-N 430.986 5.335 30 20 IKED CC(C)c1nnc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)s1 467855469 NFFIDJQTFJDXJR-UHFFFAOYSA-N 441.944 5.087 30 20 IKED Cn1nc(C(F)F)c2cc(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)sc21 470713006 BHFRPUDXSSXJIB-UHFFFAOYSA-N 443.319 5.862 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 470900350 APKNDIUTYIGVTG-LIRRHRJNSA-N 434.952 5.203 30 20 IKED Cc1c(COc2ccccc2)cccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 472361062 DEZXUIQOOYGYFQ-UHFFFAOYSA-N 441.531 5.240 30 20 IKED C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 472696983 FJQSFYYHJKZTAC-URXFXBBRSA-N 439.559 5.817 30 20 IKED Cc1nc(CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)oc1-c1ccc(Cl)cc1 473670990 PYVNFSRQCNOFJW-UHFFFAOYSA-N 447.844 5.173 30 20 IKED CC(C)(C#N)c1ccc(C(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)cc1 475454321 QPJCFDPPWZEQOM-UHFFFAOYSA-N 437.543 5.262 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)Nc1ccc(N2CCN(C)CC2)cc1OCC 475563683 JSGBOYXQKQSSCL-UHFFFAOYSA-N 436.600 5.333 30 20 IKED N#CC[C@H](CC(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1)c1ccccc1 476476676 POYXQQUIDKVLKC-NZQKXSOJSA-N 434.584 5.376 30 20 IKED C=CCn1c(SC[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)nnc1-c1cccs1 480385400 HPLOWNZUYKRUCM-RHSMWYFYSA-N 436.002 5.077 30 20 IKED C=C(C)Cn1c(SCC(=O)N(Cc2ccoc2)C2CCCCC2)nnc1-c1ccco1 481935616 WHAJWCDJFRWELT-UHFFFAOYSA-N 440.569 5.161 30 20 IKED O=C(N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)N1CCC(C(F)(F)F)CC1 482339293 ZEDCDMVJOBHFNZ-LBPRGKRZSA-N 438.290 5.173 30 20 IKED CN(C(=O)c1ccc(OC(F)F)cn1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 484213009 YUGGFTHCECKZPH-CYBMUJFWSA-N 428.279 5.077 30 20 IKED CC(C)c1c(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cnn1-c1ccccc1Cl 485136664 LZMQOZXIJCJLOW-QFIPXVFZSA-N 449.942 5.126 30 20 IKED CC(C)(CC(=O)Nc1cc(F)cc(NC(=O)CC(C)(C)C(F)(F)F)c1)C(F)(F)F 485180684 KIGCIXOTDWRDCW-UHFFFAOYSA-N 430.364 5.660 30 20 IKED O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 485610692 DNYAUEQFKMDXJS-INIZCTEOSA-N 445.338 5.106 30 20 IKED C=CCn1c(S[C@H](C)c2nc(O)c3c(C)c(C)sc3n2)nnc1-c1ccccc1C 488874352 BZOPGOMUQZHVLG-OAHLLOKOSA-N 437.594 5.620 30 20 IKED Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)cc1 488912967 OXZUNDKAXODTSM-NRFANRHFSA-N 431.952 5.518 30 20 IKED C=CCOc1ccc(-c2nnc(SCCC(=O)Nc3ccccc3C(F)(F)F)o2)cc1 489763343 VIVIJEASPMYXKZ-UHFFFAOYSA-N 449.454 5.441 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)NCc3ccccc3CN3CCCCCC3)o2)cc1 493950866 UGRANXKUBUAUGQ-UHFFFAOYSA-N 443.547 5.036 30 20 IKED CCOC(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nc1 496094511 UQEUFWDYAULXLM-CQSZACIVSA-N 446.315 5.179 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3cc(C(F)F)ccc3Cl)c2)cc1 500006569 MBRNWFMCCLPVLC-UHFFFAOYSA-N 441.821 5.519 30 20 IKED C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1ccc(Sc2ccccc2C#N)cc1 500162053 FSBGUPBQYAMVSK-IBGZPJMESA-N 443.572 5.001 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)c1 501782941 XHWFDPWRVYTLCX-QHCPKHFHSA-N 444.535 5.301 30 20 IKED CC(=O)c1ccc(SCC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1F 505362351 OBILDAQCJWAVMI-DEOSSOPVSA-N 448.519 5.080 30 20 IKED N#C[C@@H](NC(=O)c1ccccc1SCc1cccs1)c1cccc(C(F)(F)F)c1 505986837 MDTMLZOOBFXBSX-GOSISDBHSA-N 432.492 6.054 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(n3cc(Cl)cn3)CC2)cc1 507861233 QLFXORIUEZUQMM-UHFFFAOYSA-N 436.968 5.178 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 508587579 LGWWXJSNTKAYPJ-UHFFFAOYSA-N 431.439 5.740 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 509637935 SENFLOIXRABXCW-LEWJYISDSA-N 436.474 5.215 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 510046822 YTDFSEOKSKBXQF-YCRPNKLZSA-N 434.883 5.786 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(OC)c1 511420512 DXSWKPBBIVTYES-UHFFFAOYSA-N 445.519 5.013 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCCc3cccc(OC(F)F)c32)cc1 511502162 BHPLNXIHNORCKI-UHFFFAOYSA-N 434.442 5.332 30 20 IKED CCOc1cc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)ccc1OC 512548445 CGUJLRRUNWCUBW-UHFFFAOYSA-N 449.482 5.005 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2nc3ccccc3s2)s1)c1ccc(C(F)(F)F)cn1 513144088 RJGBPDGEKIAGNC-LBPRGKRZSA-N 429.448 5.929 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc2c(cc1Sc1ccccc1)OCCO2 513926836 ZGJGYOAEUYGACL-UHFFFAOYSA-N 431.517 5.145 30 20 IKED N#Cc1ccc(CN2CCCN(C(=O)[C@@H](Sc3ccccc3)c3ccccc3)CC2)cc1 514929922 FGKOWYWHGBKFJV-SANMLTNESA-N 441.600 5.126 30 20 IKED COc1cc(CN(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)cc(OC)c1 516387506 WNXSNDRYKGQRPQ-UHFFFAOYSA-N 432.545 5.140 30 20 IKED CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1cccc(C(F)(F)F)c1 518151367 LQKSFISHFPDSAK-IBGZPJMESA-N 449.498 5.163 30 20 IKED COc1ccc(Cl)cc1N1CC[C@H](NC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 519449939 PKNUPXRXUVPZAO-RDJZCZTQSA-N 444.988 5.001 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 519911478 GWGCDDAXRASMOU-GFCCVEGCSA-N 445.363 5.743 30 20 IKED COc1ccc([C@H](Cc2ccc(F)cc2)N[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1 520625194 RSATUICJFGLFBH-FNZWTVRRSA-N 445.538 5.043 30 20 IKED COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)Nc1ccccc1SC[C@H](C)C#N 520856977 ZRVSPPZQQZECIG-QUCCMNQESA-N 439.581 5.160 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)cc2)c1 521800536 LRFPYFZEQFPYIK-NRFANRHFSA-N 449.919 5.446 30 20 IKED CC(=O)Nc1cccc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 522325658 TUXLLZBLHDTGHR-GOSISDBHSA-N 444.510 5.129 30 20 IKED COc1ccc(CC[C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 522463331 POBHJIXEZOSIIF-FQEVSTJZSA-N 445.538 5.439 30 20 IKED C=CCOc1ccccc1CNC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 522599042 IKLXPFSVGWTGOQ-HKBQPEDESA-N 434.561 5.022 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CN(Cc3cccnc3)c3ccccc3)cc2)c1 522819389 MVHMFUUVGYTARY-UHFFFAOYSA-N 448.526 5.178 30 20 IKED C=CCOc1ccc(C(=O)Nc2cc(-c3nc4cc(F)ccc4n3C)ccc2C)cc1OC 524949475 CTOSAQRSWXAYKF-UHFFFAOYSA-N 445.494 5.514 30 20 IKED C[C@H](N[C@H]1CCCc2nc(-c3ccccc3Br)sc21)c1ccc(C#N)cc1 531695850 NBHBJFONBNBKAU-LIRRHRJNSA-N 438.394 6.172 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)Nc2ccccc2CN2CCSCC2)cc1 538027732 SOCOLDJWZGCKIR-UHFFFAOYSA-N 442.588 5.096 30 20 IKED CC(=O)c1cc(F)c(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c(F)c1 538551767 RPSZSKIWVMJVJK-UHFFFAOYSA-N 426.806 5.737 30 20 IKED C=CCN(C(=O)c1cccc2ccc(C)nc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 539292403 KFXDFTZHNCFEQL-UHFFFAOYSA-N 430.489 5.408 30 20 IKED COCCn1ccc2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc21 539963496 ODTZPOIROPONBL-UHFFFAOYSA-N 427.529 5.563 30 20 IKED CCN(CC)C(=O)CCC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 542923449 HWRWWRDWLIOMJO-UHFFFAOYSA-N 448.567 5.243 30 20 IKED C=CCc1cc(-c2nc(Cc3ccc(OCc4ccncc4)cc3)no2)cc(OC)c1OC 546328801 GULJEYWBUUWJLD-UHFFFAOYSA-N 443.503 5.047 30 20 IKED CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 554884014 AVPBGZQFBSUXTB-HXUWFJFHSA-N 435.867 5.555 30 20 IKED C=CCSc1ccccc1NC(=O)CNC1(Cc2ccc(F)cc2Cl)CCOCC1 555697830 ZVDFQBQUAAHNDG-UHFFFAOYSA-N 448.991 5.077 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)CC2)c(F)c1 557122150 SMGKLKOMDHDFSM-OALUTQOASA-N 433.310 5.178 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)CCCSc3ccc(Cl)cc3)CC2)c(F)c1 557126160 JNYABTUHUBSBLL-UHFFFAOYSA-N 432.948 5.293 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N[C@H](c3ccc(F)cc3)c3cccs3)CC2)c(F)c1 560423840 ATLMWWVUPBPCEU-HSZRJFAPSA-N 437.515 5.020 30 20 IKED C=CCn1c(Cc2cccc3ccccc23)nnc1N1CCC[C@H]1c1ccc(COC)o1 565390025 HYWGMKOEUKJDEB-QHCPKHFHSA-N 428.536 5.289 30 20 IKED N#Cc1c(NC(=O)CCN(Cc2ccc(C(F)(F)F)cc2)C2CC2)sc2c1CCC2 569949534 ASLBGLCZKAFIDM-UHFFFAOYSA-N 433.499 5.120 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCn2c(cc3c(Cl)cccc32)C1 579823448 ZHAAYKASCMRAGT-MRXNPFEDSA-N 438.984 5.001 30 20 IKED Cc1cc(C(F)(F)F)ncc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 589358348 SCYCLKPTKLMCLB-UHFFFAOYSA-N 442.416 5.654 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 590253748 ZCPWPIOZIZHASY-LLVKDONJSA-N 435.343 5.113 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603622981 BPTYBFQENRKOOO-UHFFFAOYSA-N 430.464 5.569 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1nc2ccccc2n1C(F)F 603690112 IRUMUZBJISRHBZ-CQSZACIVSA-N 448.433 5.373 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 603738424 AZIMHDORAKSFAT-RBUKOAKNSA-N 437.421 5.815 30 20 IKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cccc(OCc2ccccc2C#N)c1 604519590 FYOFTJOHZQQRJZ-SQHAQQRYSA-N 440.543 5.377 30 20 IKED CC(C)c1nccn1Cc1cccc(NC(=O)c2occc2COc2cccc(C#N)c2)c1 608812507 UPNYNKPLIWMSFB-UHFFFAOYSA-N 440.503 5.351 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)o2)cc1 609058416 RDTHBOGHKVPGEM-UHFFFAOYSA-N 425.469 5.583 30 20 IKED CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 609062575 VVJGTWXKMHEWAF-UHFFFAOYSA-N 437.858 5.140 30 20 IKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 609129210 SLRLBANAGFOGCX-ZEQKJWHPSA-N 426.516 5.590 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1 609254439 RWBAFMRJSRRGPO-UHFFFAOYSA-N 429.345 5.469 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1Sc1ccccc1C#N 609377506 WLYUMKICILNTBB-KRWDZBQOSA-N 429.570 6.214 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)C3(C#N)CCOCC3)cc2Cl)c(Br)c1 609449829 MUCURPURBBCRMN-UHFFFAOYSA-N 449.732 5.462 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(Oc2ccc(F)cc2)CC1 609682759 AXJVEBXZDKQDKG-UHFFFAOYSA-N 445.494 5.873 30 20 IKED C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609929300 MKTCVGBNVCVTHQ-UWJYYQICSA-N 447.485 5.825 30 20 IKED COc1ccccc1[C@@H]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 610016506 DCLKSKWYPSAJAR-OAQYLSRUSA-N 441.531 5.362 30 20 IKED CCCOc1ccccc1Oc1ncccc1CNC(=O)N[C@H](C)c1cccc(C#N)c1 610355204 KSQHTCOQAJXVGT-GOSISDBHSA-N 430.508 5.095 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](COc2ccccc2Cl)C1 611095367 VJAHDEWOBYLIAH-QZTJIDSGSA-N 444.000 6.057 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H](OC(F)F)C3)cc2Cl)c1 611596103 XAOWPJWDDZBJAU-KRWDZBQOSA-N 435.858 5.026 30 20 IKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 611839111 BLVAKPMLAVZODC-WZONZLPQSA-N 449.942 5.029 30 20 IKED CCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 613347095 XAYQJTQOIBSPMN-HNNXBMFYSA-N 447.343 6.014 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)nnc1-c1cccc(C)c1 617940171 DWIBAAUPAREHHR-FQEVSTJZSA-N 434.609 5.357 30 20 IKED O=C(Nc1ccc(F)cc1Br)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618543024 JKMXJHRTNLAHTR-YUMQZZPRSA-N 437.153 5.183 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 618757147 FPFMNDKFKSUUDH-QFIPXVFZSA-N 430.895 5.273 30 20 IKED Cc1nc(SCC(=O)Nc2ccc(SCc3cccnc3)cc2)c(C#N)c(C)c1C 619693428 LOZIHPGYOGKRNP-UHFFFAOYSA-N 434.590 5.297 30 20 IKED CCOc1ccc(-n2c(S[C@@H](C#N)c3ccc(Cl)cc3)nnc2-c2cccnc2)cc1 619863428 CMBVWMRPRXQAPV-NRFANRHFSA-N 447.951 5.738 30 20 IKED C=CCn1c(SCC(=O)c2cccc(Br)c2)nnc1-c1ccccc1F 645077574 KLQVEQMSVMZSMN-UHFFFAOYSA-N 432.318 5.008 30 20 IKED Cc1c(Br)ccc(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1F 684044864 JTGXDSZLUUPOFQ-DTORHVGOSA-N 436.165 5.100 30 20 IKED C#Cc1cccc(N2C(=O)/C(=C/c3csc(COc4ccccc4)n3)SC2=S)c1 726626365 FCCKAOCISFYTJO-UNOMPAQXSA-N 434.567 5.109 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)CSCc1ccc(Cl)cc1Cl 726755902 LZOFDCJBNUQOJY-UHFFFAOYSA-N 430.360 5.362 30 20 IKED Cc1ccccc1-c1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cs1 727628509 TVUFBLHFDLLKSP-MRXNPFEDSA-N 443.500 5.394 30 20 IKED COc1ccc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cc1OCC(F)(F)F 728268351 YASRDFWEZQEUPR-UHFFFAOYSA-N 443.425 5.168 30 20 IKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1CCCCC#N 728780312 QFCDBLBPRTUBES-JOCHJYFZSA-N 448.592 5.212 30 20 IKED Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)o2)c1 730377301 RZTGLZDVIGEUGO-MRXNPFEDSA-N 443.434 5.766 30 20 IKED N#C[C@@H](C(=O)COc1ccc(Br)cc1Cl)c1nc2cc(F)ccc2s1 730421905 RHZZIUUGXNGELV-NSHDSACASA-N 439.693 5.107 30 20 IKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CCC2)c1 730462539 NYIGAPBYDMROIR-OAQYLSRUSA-N 439.556 5.264 30 20 IKED C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 730691776 MJUIEOKOYVYLKU-FZKQIMNGSA-N 440.355 6.044 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(C2SCCCS2)cc1 731029736 GTUQRXLDWWFXJS-INIZCTEOSA-N 444.647 5.967 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1[nH]c2ccc(F)cc2c1Cl 731072530 LDVUBGSZRNNANY-GFCCVEGCSA-N 445.903 5.008 30 20 IKED Cn1c(CC(=NOCc2ccn(-c3cccc(F)c3)n2)c2ccccc2)nc2ccccc21 731664284 HNVZIPZURPMWKF-UHFFFAOYSA-N 439.494 5.062 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c1 732064626 WYVRJEIYXUNUIM-UHFFFAOYSA-N 448.910 5.047 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 733773619 BFIPVUKGGJYUMX-INIZCTEOSA-N 430.348 5.335 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](c2ccccc2Cl)C(C)C)ccc1OC 734670171 GGEQVQKSIPYZLS-JTSKRJEESA-N 429.948 5.226 30 20 IKED Cc1oc(-c2ccccc2F)nc1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 737833151 VAPLUCHNOBULQI-HSZRJFAPSA-N 441.462 5.363 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCS[C@@H](c3ccccc3)C2)c1=S 738245138 KIKWNBLWMZRBIM-OAQYLSRUSA-N 438.622 5.023 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2)c1nc(-c2ccc(Cl)cc2)cs1 744034765 LJMOGKJPYVMNKC-FGTMMUONSA-N 436.920 5.215 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@]12CCc1ccccc12)c1nc(-c2ccc(Cl)cc2Cl)cs1 744036361 ZLPDZPIPZNHXLM-UQNRQAKVSA-N 439.367 6.197 30 20 IKED C[C@@H](C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1ccccc1C(F)(F)F 745310099 YZSDFSYZGADKED-OAHLLOKOSA-N 428.410 5.103 30 20 IKED C[C@@H](CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)C(=O)c1cccc(F)c1 747105462 APASWLXAXRTRHV-NHYWBVRUSA-N 434.414 5.540 30 20 IKED CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cc(C#N)cs2)NC(=S)N1c1cccc(C)c1 747960147 HYDKXIYRENWNHU-JOCHJYFZSA-N 444.585 5.277 30 20 IKED COc1cc(/C=C\C(=O)c2cnn(-c3ccc(F)cc3)c2C)ccc1OCC(F)(F)F 750910803 VXVSKYHOFRIDKF-OQFOIZHKSA-N 434.389 5.166 30 20 IKED Cn1cc(/C=C\C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2ccncc2)n1 750915323 DSTSJDOUVBECFT-IHWYPQMZSA-N 425.332 5.416 30 20 IKED Cc1nc(-c2ccc(C)c(NC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)c2)n[nH]1 755827046 CIXSEDASIZZZJW-UHFFFAOYSA-N 428.521 5.010 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc3cc(Br)ccc3c2)c1-c1ccccc1 758693858 QGYCZHUVUVAIEV-UHFFFAOYSA-N 445.320 5.632 30 20 IKED C[C@@H](Sc1nc2ccccc2s1)C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 762476504 HARPFRWNHSRMDE-CYBMUJFWSA-N 435.496 5.240 30 20 IKED COc1cc(C(C)=NNc2ncnc3scc(-c4ccc(F)cc4)c23)c(OC)cc1O 763156156 LPPVWMIXQPSBPE-UHFFFAOYSA-N 438.484 5.056 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(F)cc2N(C)C)cs1 764443844 YSPASRBYRGMILL-YRNVUSSQSA-N 427.476 5.068 30 20 IKED CCCCCCCS(=O)(=O)Cc1csc(-c2cc(Br)ccc2OC)n1 764733536 XUOZQIGVODRYSM-UHFFFAOYSA-N 446.432 5.466 30 20 IKED CC(C)[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)c1ccc(C(F)(F)F)cc1 775537676 CEDRVRXNFLPAAJ-XMSQKQJNSA-N 438.453 5.229 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(C#N)cc2F)ccc1OCC(=O)Nc1ccccc1 781108790 SRKVOROKRUNUCX-XFXZXTDPSA-N 444.462 5.010 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)OCc2nnc(C3CC3)n2C2CC2)c1 783164225 NJCOEAIKPLHAOP-UHFFFAOYSA-N 434.883 5.165 30 20 IKED C[C@]1(C#N)CCCN(Cn2nc(-c3cc(-c4ccccn4)nc4ccccc34)oc2=S)C1 784013332 NLUKOXRDIMNDDC-XMMPIXPASA-N 442.548 5.066 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)n1 786962857 SXKBRJIEQBQJAC-CQSZACIVSA-N 449.363 5.822 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1nccc2ccccc12 792096357 NTJMZJKWKIPXFW-GOSISDBHSA-N 438.339 6.084 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(CCC)cc2)[n+]2ccc(CC)cc2)c1 797800330 XUNLVYVJOALZGS-UHFFFAOYSA-O 427.593 5.794 30 20 IKED C=CC[C@H](OC(=O)C1CCN(C(=O)[C@H](C)CSC)CC1)c1ccc(Cl)c(Cl)c1 799378481 KLOKDXYIXWQPKI-KUHUBIRLSA-N 444.424 5.392 30 20 IKED O=C([C@H](F)c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 801685578 WLLBJEOSSZOXLL-BXUZGUMPSA-N 440.384 5.598 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccccc1)CC1CCOCC1 812174767 ZOZQFDONPDPUBA-UHFFFAOYSA-N 437.975 5.003 30 20 IKED CCCOc1nc2ccccc2cc1/C=C\C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813211073 CRFGSDOOZCNZOR-ZEVQVBBLSA-N 425.410 5.327 30 20 IKED C[C@H](SC1=NC(=O)/C(=C/c2csc3ccccc23)S1)C(=O)Nc1cccc(C#N)c1 814774456 ZXEDQLDKQYGJMA-GJUHEBOISA-N 449.582 5.504 30 20 IKED CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccccc2-c2ccccc2C#N)CC12CCC2 816855798 SEUYIOJVGDGPOS-FQEVSTJZSA-N 445.563 5.277 30 20 IKED Fc1ccccc1-c1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)s1 912803620 RCFYPUWFQTVALO-UHFFFAOYSA-N 428.945 5.974 30 20 IKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cnn1-c1ccc(Cl)cc1 915085869 PFUPLAJDYOMYDJ-QHCPKHFHSA-N 426.907 5.742 30 20 IKED CSc1cccc(N2C[C@@H](C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2=O)c1 915086163 HWSIFLXMUNGWDE-RDPSFJRHSA-N 441.556 5.056 30 20 IKED COc1cc(CCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc(OC)c1 915103856 GWSBAKMWYZRUEQ-INIZCTEOSA-N 434.439 5.141 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Oc1ccccc1-c1nc2ccccc2s1 915821501 ZPEARXNRNHLKPJ-UHFFFAOYSA-N 444.512 5.608 30 20 IKED Cc1ccc(C(=O)/C=C/c2cc(Br)c(O)c(Br)c2)cc1[N+](=O)[O-] 916138341 GYSMVVAMUADNFX-HWKANZROSA-N 441.075 5.030 30 20 IKED CCCOc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1OCC 916546046 CMGRHTQHMPPRLI-UHFFFAOYSA-N 430.961 5.294 30 20 IKED CC(C)c1ccc(OCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916904489 FAUQISPXELIRFS-QFIPXVFZSA-N 428.488 5.329 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)n2)cc1 916973168 VSSGTOOZSPTRJU-LJQANCHMSA-N 433.533 5.956 30 20 IKED N#C[C@@H](C(=O)[C@@H]1Cc2ccccc2S1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995194 CDMNGDWGDMWLFC-KSSFIOAISA-N 431.369 6.010 30 20 IKED COc1ccccc1/C=C(/C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1 917040545 LNHJUKXGSYUCKA-ZWUNQBBJSA-N 443.453 5.857 30 20 IKED Clc1ccc(-c2nn(-c3ccccc3)cc2CON=C2CCC3(CC2)OCCO3)cc1 917403569 LABDTRPGEFDHJZ-UHFFFAOYSA-N 437.927 5.382 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 920106294 MOUDGQYRGXVMJP-GOSISDBHSA-N 447.491 5.165 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)c(Cl)c3)n2)cc1 920139843 ZHFLQJZVZVCSIQ-MLGOLLRUSA-N 447.343 5.769 30 20 IKED N#C[C@@H](C(=O)COc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccncc2)cs1 920265477 OYHQRUDYOLZWFQ-QFIPXVFZSA-N 441.512 5.039 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccc(Cl)cc5[nH]4)CCC3)cc2)C1 1785803242 FUZQBTQCTKLJCQ-UHFFFAOYSA-N 433.939 5.535 30 20 IKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H](S)C(C)C)cc3)CCC2)c(Cl)c1 1786395445 CQVOQIDCKHCENL-HXUWFJFHSA-N 447.000 5.051 30 20 IKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(-c2ccccc2)cn2ccccc12 1799193105 AACSSWDEVUPYNH-SNJCGAMXSA-N 441.575 5.070 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3ccoc3c2)[C@@H]1c1cccnc1 1802500651 NNWNYHDMNWRGTQ-ISKFKSNPSA-N 445.563 5.140 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)cc(C)c2)[C@@H]1c1cccnc1 1811881941 UHTAKYAYGVDCMM-UPVQGACJSA-N 433.596 5.010 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ncsc23)n[nH]1 1819154129 RBSOEEYNCCJCNV-JXFKEZNVSA-N 449.580 5.094 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)CC1 1830189497 VMNWXJIXNNDWDM-SANMLTNESA-N 447.623 5.099 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2onc3ccccc23)CC1 1830925194 ZAMSGOBVCJFSAA-QFIPXVFZSA-N 437.584 5.054 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)cc2Cl)CC1 1831446982 BFAPHRAJYRGNTR-FQEVSTJZSA-N 438.946 5.093 30 20 IKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)c(Cl)c1 1832607673 OOCKANXPMLUEPG-DEOSSOPVSA-N 449.982 5.067 30 20 IKED CCN(CC)c1ccc(/N=C2/C=C(C(=O)Nc3ccccc3)C(=O)c3ccccc32)c(C)c1 2556892 ZYKBEIDPRRYKKQ-BXVZCJGGSA-N 437.543 5.723 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2cccc([N+](=O)[O-])c2)[n+]2ccccc2CC)cc1 10173445 SAEBQTWQEVLKHS-UHFFFAOYSA-O 434.541 5.058 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 10836316 SXXQPGUNARTNBV-UHFFFAOYSA-O 430.380 5.894 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2ccccc2)c(C)s1 11089333 RXTRTUICAJXPNV-UHFFFAOYSA-O 446.415 5.466 30 20 IKED Cc1cc(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2cccc(CO)c2)c(C)s1 11265153 PVJJRCHCUKAGHE-UHFFFAOYSA-O 439.626 5.319 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2cc(C)ccc2C)cc1 22729661 YLLDRDABTLBAAN-UHFFFAOYSA-O 445.652 6.502 30 20 IKED Cc1ccc(C[C@@H](C#N)Sc2nnc(CN3CCCC3)n2-c2ccc(Cl)cc2)cc1 60713817 MPMYAQVIMBLQJZ-NRFANRHFSA-N 438.000 5.052 30 20 IKED CC(=O)N(c1nc(CSc2nc3c(cc2C#N)CCCC3)cs1)c1ccc(C)cc1C 96995020 VPPATHFDCNSTCL-UHFFFAOYSA-N 448.617 5.882 30 20 IKED COc1cc(CCC(=O)Nc2cc(C(F)(F)F)ccc2F)ccc1OCC(F)(F)F 112518517 YJRWXFPLRQKCSJ-UHFFFAOYSA-N 439.327 5.366 30 20 IKED N#CCC[C@@H](Nc1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1Cl)c1ccccc1 301797976 RINFYSZFLFXLOS-QGZVFWFLSA-N 433.726 5.650 30 20 IKED C=CCn1c(SCc2ncc(-c3ccc(F)cc3)o2)nc2cc(Cl)ccc2c1=O 302643187 SCXPXHBPLAUIJL-UHFFFAOYSA-N 427.888 5.322 30 20 IKED C[C@H]1CN(c2ccccc2NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[C@H](C)O1 303635340 PNIYBCQCKMFZTK-PMACEKPBSA-N 441.531 5.003 30 20 IKED Cc1c(-c2nc(CC(=O)Nc3c(Cl)cccc3Cl)no2)sc2ccc(C#N)cc12 426446989 FLLRBKMQIWKVBC-UHFFFAOYSA-N 443.315 5.619 30 20 IKED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3ccc(Oc4cccc(Cl)c4Cl)nc3)nc12 429570712 XEHVTWCKOXFHOX-ZDUSSCGKSA-N 438.274 5.251 30 20 IKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@H](CCCC#N)c1ccccc1 432675300 KMZVNLDMCXGLGQ-HSZRJFAPSA-N 441.535 6.196 30 20 IKED C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1Cc1cn(CCC#N)nc1-c1ccncc1 435136639 FQNAUJVPPVAJSE-SKCUWOTOSA-N 447.586 5.437 30 20 IKED N#C[C@H](C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1)c1nc2ccccc2n1C(F)F 437368625 BKYVBYKZIQCKIC-QGZVFWFLSA-N 446.388 5.869 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)Oc1ccc(C(F)(F)F)cc1 437596998 BJFBYHBOJYJNCJ-OAHLLOKOSA-N 441.409 5.479 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3ncccc3Oc3ccccc3)s2)cc1 440447071 YTYXQRDSPDEBFT-UHFFFAOYSA-N 445.529 5.142 30 20 IKED N#CC1CCC(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 441146264 NCWDMFFUFPXBBB-UHFFFAOYSA-N 432.955 5.181 30 20 IKED CN(CCCCCc1cc(-c2cccc(F)c2)no1)Cc1nnc(-c2ccc(C#N)cc2)o1 441525794 OOMYCOIRKAWWTC-UHFFFAOYSA-N 445.498 5.247 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C 442364001 MGINUQVKUCUADC-BXYVBBHNSA-N 441.984 5.186 30 20 IKED CCCc1c(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)nnn1-c1cccc(C(C)C)c1 442619338 UFVJIOKKINBEHE-SFHVURJKSA-N 441.457 5.247 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@@H](C)Sc2ccccc2Cl)c1C#N 445563406 KBSJLYABADCRDJ-CYBMUJFWSA-N 428.970 5.239 30 20 IKED COc1ccc(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)c(OC)c1OC 460334772 ZJNPYFANORRCPR-UHFFFAOYSA-N 436.895 5.084 30 20 IKED C=CCOc1cccc(NC(=O)c2ccccc2Sc2ccc(S(C)(=O)=O)cc2)c1 463150715 XOXKNEGQVFYXQW-UHFFFAOYSA-N 439.558 5.058 30 20 IKED CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1cccc(COc2ccccc2C#N)c1 465289353 LNRYZGOFRZRKLA-UHFFFAOYSA-N 442.515 5.274 30 20 IKED C[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)Oc1ccccc1F 466176780 KELPCQSFSQUCTQ-SFHVURJKSA-N 435.474 5.016 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@@H]2CC(=O)c2ccco2)c1 468344467 SHSNCKRFVBCJIY-QGZVFWFLSA-N 434.879 5.475 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)CC3(CSc4ccccc4)CC3)ccc21 469977002 YTNPKQYHBKCXMO-UHFFFAOYSA-N 433.577 5.171 30 20 IKED CC(C)(C)C1CCC(C#N)(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)CC1 470198315 QLEIUWTVGIXNQY-UHFFFAOYSA-N 443.642 5.048 30 20 IKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nnc(C4CC4)s3)c2C#N)C1 470854335 KHIDLZBRSMDRKV-ZDUSSCGKSA-N 446.667 5.621 30 20 IKED C=CCN(C(=O)c1ccc2c(c1)nc(C)n2Cc1ccsc1)c1nc2c(s1)CCCC2 472817751 HVRCPMUISAIPAN-UHFFFAOYSA-N 448.617 5.623 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC1[C@H](C)CN(Cc2ccccc2)C[C@H]1C 473821716 GIKOZIZQNPFJAM-VAMGGRTRSA-N 436.625 5.359 30 20 IKED COc1ccc(C[C@@H](NC(=O)C[C@H](CC#N)c2ccccc2)c2ccc(OC)cc2)cc1 474288016 ZJRUYFDOMPLPHU-JYFHCDHNSA-N 428.532 5.191 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)s2)cc1OC 474426831 LUUYFSCKAGZSEV-AWEZNQCLSA-N 427.551 5.206 30 20 IKED CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)C[C@H](CC#N)c2ccccc2)c1 474592644 IGOSQICCHQBLHJ-LVXARBLLSA-N 439.559 5.822 30 20 IKED CN(C)Cc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1Cl 478053488 MAZCOZKNVZUMTR-UHFFFAOYSA-N 435.980 5.818 30 20 IKED CC(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1ccc(F)c(C#N)c1 481320132 GAKVXSDUPXUZQA-UHFFFAOYSA-N 436.314 5.018 30 20 IKED O=C(N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)N1CCC(C(F)(F)F)CC1 482339292 ZEDCDMVJOBHFNZ-GFCCVEGCSA-N 438.290 5.173 30 20 IKED N#C[C@H](C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)c1cnc2ccccc2n1 483217640 DNVUMOHSYKPAPC-IBGZPJMESA-N 441.922 5.228 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cc(Cl)ccc3OC[C@H]3CCCO3)c2)cc1 483322681 NHHFTRVDNRHTHT-JOCHJYFZSA-N 448.906 5.814 30 20 IKED C=CCSc1ccccc1C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 485741544 JOHVSFSTKOBUGE-UHFFFAOYSA-N 438.574 5.042 30 20 IKED CCC[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(Cl)c(Cl)c1 486930716 DZNZSXDEJREXBW-IBGZPJMESA-N 432.351 5.391 30 20 IKED C[C@@H](NC(=O)Nc1ccc(F)cc1OCC(F)(F)F)c1nc(C(F)(F)F)cs1 488080751 AWXGAEBAQOIMKD-SSDOTTSWSA-N 431.333 5.125 30 20 IKED COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)N(C)CC(C)(C)C#N)s1 497340538 RUDDIMRSAJMKCL-UHFFFAOYSA-N 434.565 5.113 30 20 IKED C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 497797553 BEWVPTQNKVIPBH-MRXNPFEDSA-N 438.886 5.530 30 20 IKED CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)c1sccc1C#N 497991457 XRZBKLBATFNVJH-UHFFFAOYSA-N 432.936 5.398 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 500999748 OASBOIHFUZCZCH-VWLOTQADSA-N 449.510 5.246 30 20 IKED Cc1c(NC(=O)Nc2cccc(OCCCC#N)c2)cccc1C(=O)Nc1ccccc1 502446967 VACRWCBVOOCLSJ-UHFFFAOYSA-N 428.492 5.574 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)CC2)cc1 503955918 OLIRSTDPBDFDJL-UHFFFAOYSA-N 438.487 5.008 30 20 IKED Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)CSc1nc(C)c(C)c(C)c1C#N 504657777 IHPRYXQMPMSFOI-UHFFFAOYSA-N 435.553 5.091 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2csc(Br)c2)cc1 505650891 WEQOKIYIALVZKQ-UHFFFAOYSA-N 429.295 5.435 30 20 IKED Cc1ccc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccccc1 505918108 YCAFFAZAXPEKNF-NRFANRHFSA-N 437.421 5.261 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1 508274632 NMIYIOAACPFKBQ-JOCHJYFZSA-N 431.467 5.867 30 20 IKED CCN(C[C@H](C)C#N)C(=O)c1cn(-c2ccccc2)nc1-c1ccc2ccc(OC)cc2c1 509709347 AVAMMBPWSDWVIG-LJQANCHMSA-N 438.531 5.323 30 20 IKED CCN(C(=O)c1cc(C)cc(C(=O)N(CC)c2ccc(C#N)cc2)c1)c1ccc(C#N)cc1 510428005 WIVIDGXPGXNECH-UHFFFAOYSA-N 436.515 5.072 30 20 IKED Cc1ccc(OCc2cccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)c2)cn1 511166681 BYKPTCNFERVLAC-FQEVSTJZSA-N 426.303 5.271 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1nc2cc(Cl)ccc2s1 513664992 ASUUTTLYGZQWGY-HNNXBMFYSA-N 446.841 5.644 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 515058019 KOSODWAYQVFPFZ-DLBZAZTESA-N 441.000 5.066 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)C(c3ccccc3)c3ccccc3)c2)c1 515446827 FJRMUEQUEVMPFW-UHFFFAOYSA-N 431.495 5.581 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)Cc3csc(-c4ccccc4)n3)c2)c1 515676741 YDQMGIFVGIZQET-UHFFFAOYSA-N 438.512 5.115 30 20 IKED C[C@@H](Nc1cccc(OCCCC#N)c1)C(=O)Nc1ccccc1Sc1ccccc1 515715953 XBVCROCXXSNQSI-LJQANCHMSA-N 431.561 5.959 30 20 IKED N#CCCCOc1cccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)c1 516009527 NTWHWMOWLDMAKT-UHFFFAOYSA-N 436.515 5.533 30 20 IKED CCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cnn1-c1ccc(C)cc1 516269903 CPMNISCLXSJWOW-FQEVSTJZSA-N 442.544 5.365 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC 517530593 YFRHAUBHRYTEJZ-VQIMIIECSA-N 425.554 5.467 30 20 IKED CN(C(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)C1CCC(F)(F)CC1 517623265 QILWTHMVZJRQIO-UHFFFAOYSA-N 449.338 5.219 30 20 IKED CCOc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1OCc1cccnc1 518140386 ZXQXJEYDXHLIIP-GOSISDBHSA-N 447.560 5.563 30 20 IKED COc1cc([C@@H](C)NCc2cccc(OCc3ccccc3C#N)c2)ccc1OC(C)C 518271125 BLNXYQJKDDEGKB-HXUWFJFHSA-N 430.548 5.784 30 20 IKED Cc1nc(-c2ccc([C@H](C)NC(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)cs1 518683306 PVIZKAXDRRYMBG-HOTGVXAUSA-N 436.606 6.253 30 20 IKED COc1ccc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1Br 521259438 MUMVJLQLYNNQFQ-ZDUSSCGKSA-N 434.359 5.031 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCc1nc2ccccc2n1-c1ccccc1 521330176 DVHCDKUNANBDMD-LJQANCHMSA-N 440.572 5.991 30 20 IKED C=CC1CCN(C(=O)c2ccc(OCc3ccc(Br)s3)c(OC)c2)CC1 521957059 NUYGCSQABLPYQR-UHFFFAOYSA-N 436.371 5.136 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N(CCC)[C@H](C)c2ccccc2Br)cc1 523421500 CSJYUFWPHGAQRG-MRXNPFEDSA-N 444.373 5.370 30 20 IKED CC[C@H]1CCc2nc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)sc2C1 523813938 KQUMTAIAGVWCKD-KRWDZBQOSA-N 433.581 5.304 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCc1ccc(Cl)s1 524439073 FPRQLPPJBLSRDB-UHFFFAOYSA-N 425.941 5.525 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl 524658464 TYUJZOVCLYIKJS-OAHLLOKOSA-N 444.000 6.219 30 20 IKED CCCS(=O)(=O)Nc1cccc(NCc2cccc(OCc3cccc(C#N)c3)c2)c1C 532889958 ZLBPWMYYPXPBDZ-UHFFFAOYSA-N 449.576 5.210 30 20 IKED COc1cc(CN[C@@H](C)c2ccccc2-n2cccn2)ccc1OCc1cccc(C#N)c1 537059396 GPKZAUCLOLJDJB-FQEVSTJZSA-N 438.531 5.182 30 20 IKED COc1ccccc1N(C(C)=O)c1nc(CSc2cccc(Cl)c2C#N)cs1 538949613 SAMVVLMBTOJZOQ-UHFFFAOYSA-N 429.954 5.654 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)cc1 539687517 GEHNVCXIAJGYRJ-UHFFFAOYSA-N 444.322 5.047 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3c3nc4ccccc4s3)n2)c(F)c1 542062102 OTOMNJHONXUEOS-SJORKVTESA-N 443.507 5.181 30 20 IKED C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@@H]([C@@H]2CCOC2)C1 549265037 ZXRHYFZMTXYOBO-NHCUHLMSSA-N 449.624 5.206 30 20 IKED COCCCOc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1OC 552893500 CFSNVBUITPYUMJ-UHFFFAOYSA-N 448.544 5.386 30 20 IKED Cc1c(C#N)c(NC(=O)CCN2CC(C)(C)[C@@H]2c2cccs2)n(Cc2ccco2)c1C 558181829 STPIWFIXXNFMAU-QFIPXVFZSA-N 436.581 5.091 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CC[C@@](F)(c4cccc(Cl)c4)C3)cc2)ccn1 577090900 ZLSUQTWTQUOWGB-QHCPKHFHSA-N 436.874 5.502 30 20 IKED C=CCn1c(Sc2cc(Br)c(C#N)cc2F)nnc1-c1ccccc1OC 577300781 MZJCKFZJFYQFKN-UHFFFAOYSA-N 445.317 5.064 30 20 IKED C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](CC(F)(F)F)C1 579378926 FEJLBSFPZFBCPB-GFCCVEGCSA-N 447.274 5.202 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC[C@H](c2ccccc2F)C1 593513530 VSLLLUYUAXNVPO-IGQOVBAYSA-N 426.376 5.234 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nc(C3CC3)n(-c3ccccc3)n2)c1 597469033 XTCZMWAMYLIHCT-LJQANCHMSA-N 445.592 5.189 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)cc1 603569221 BQOFJEKCXOICLX-UHFFFAOYSA-N 438.453 5.822 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cc(Cl)ccc3Br)cn2)c1 603622874 KIOSPKPJZVZAKU-UHFFFAOYSA-N 428.673 5.414 30 20 IKED Oc1nc(CNc2ccc(F)cc2OCC(F)(F)F)nc2cc(C(F)(F)F)ccc12 603704726 PBLJQENSMSZFSD-UHFFFAOYSA-N 435.299 5.047 30 20 IKED COc1ccc(-c2nc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cs2)cc1 603764816 NDCXHQOEOFZEHZ-UHFFFAOYSA-N 428.473 5.130 30 20 IKED Cc1ccnc2sc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)c(C)c12 603996025 ZYQUUJXQOOAVOW-UHFFFAOYSA-N 426.501 5.289 30 20 IKED C[C@@H](SCCOc1cccc(C#N)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 604065010 XPXLVUHQZWXOIL-GFCCVEGCSA-N 428.863 5.370 30 20 IKED CN(C(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)c1ccc(F)c(F)c1 606182184 OHAGHLGPEGCEEQ-UHFFFAOYSA-N 443.290 5.124 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)CCc1ccc(Br)cc1 608918339 RIOXNNTVGPWWRM-KRWDZBQOSA-N 428.374 5.262 30 20 IKED Cn1c([C@@H]2CCCCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)nc2ccccc21 609126715 JUMXOPJOHKXZSV-VWLOTQADSA-N 436.515 5.605 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccccc1Br 609377639 BULMKBOUYKJOHS-UHFFFAOYSA-N 443.288 5.655 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@H](Cc3ccccc3)c3cccs3)cc2)nc1 609726276 DCQZAKSSEAZFGY-JOCHJYFZSA-N 425.513 5.521 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)s2)c(C)c1 610054519 PASJQOOVFMMOTO-UHFFFAOYSA-N 441.560 5.662 30 20 IKED CN(CC(C)(C)C)C(=O)c1cccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 610175055 WAADPSSTVXSTIK-UHFFFAOYSA-N 441.531 5.721 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)NC(=O)CCCCOc2cccc(C#N)c2)cc1 610189334 XZPGEOGSIVJZJO-HXUWFJFHSA-N 428.532 5.660 30 20 IKED COCCOCc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1F 610221417 VWOAHSMTYWAKER-QGZVFWFLSA-N 444.572 5.325 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H](CC1CC1)c1ccccc1 610382293 SLSANPZQTTYQJG-VWLOTQADSA-N 439.515 5.255 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1C(F)F 611351539 WGAMPAAFJWLSNZ-UHFFFAOYSA-N 448.395 5.328 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC([C@@H]4CCOC4)CC3)cc2Cl)cc1 612302619 LEOWWGZYXHBRTG-GOSISDBHSA-N 425.916 5.284 30 20 IKED Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2ccccc2)c1C 619820148 NNMPWGZHWMNYLR-LVXARBLLSA-N 429.568 5.213 30 20 IKED FC(F)Oc1ccc(Cl)cc1CN[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642338929 OVLRSLXJYMVBPZ-IAZYJMLFSA-N 425.747 5.941 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@H](c1ccc(F)cc1)c1cccs1 642662905 JOTUEBUDOSFRON-HXUWFJFHSA-N 432.442 5.346 30 20 IKED O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 679383401 BKRFZZOUBRBWAM-BFYDXBDKSA-N 438.387 5.534 30 20 IKED COc1ccc(CN(C(=S)Nc2ccc(C#N)c(Cl)c2)C2CCCCC2)cc1OC 726484750 QZCKUGJTLZFAFT-UHFFFAOYSA-N 444.000 5.761 30 20 IKED CCCCc1ccc(NC(=O)C=NOCc2nnc(-c3c(Cl)cccc3Cl)o2)cc1 726595098 UJYLTOAKMXEHNP-UHFFFAOYSA-N 447.322 5.527 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(Cl)c(OCCCC)c(OC)c1 726755353 ISCBPRWWPUNUMB-UHFFFAOYSA-N 437.927 5.277 30 20 IKED Cc1cc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)c(C)n1-c1ccc(C#N)cc1 728269529 PKFAZESWQKQFJX-NRFANRHFSA-N 449.938 5.429 30 20 IKED N#C[C@H](C(=O)C[C@H](c1ccccc1)C(F)(F)F)C(=O)Nc1ccc(Cl)cc1Cl 728766670 FNBJMGFKUYTXCU-ZIAGYGMSSA-N 429.225 5.377 30 20 IKED N#C[C@H](C(=O)[C@H](Sc1ccc(F)c(Cl)c1)c1ccccc1)c1nc2ccccc2o1 730399106 TZUJWRJRTWLQMZ-OPAMFIHVSA-N 436.895 6.330 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1 730452975 SUDKWZCWXZIBQD-UHFFFAOYSA-N 434.851 5.316 30 20 IKED Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 731638786 MBFNZSJPHLUXQE-QHCPKHFHSA-N 430.504 5.272 30 20 IKED N#CCOc1ccc(CC(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)cc1 731981391 KZQHUISZFGQNPU-UHFFFAOYSA-N 426.394 5.581 30 20 IKED N#Cc1cccc(OCCCCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 732496454 VWQFWZAWZTWJGU-KRWDZBQOSA-N 443.450 5.612 30 20 IKED N#C[C@H](NC(=O)/C=C\c1ccc2ccc(Cl)cc2n1)c1ccc(Br)cc1 733253574 MWUFOZFECVGWQB-VJIACCKLSA-N 426.701 5.045 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)NC(CC)(CC)c2ccc(Cl)cc2)ccc1OC 733652657 FGPUHZLLBHIYCL-HXUWFJFHSA-N 443.975 5.544 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)NC(Cc2ccccc2)Cc2ccccc2)c1 733801341 GIOVZIQPABFBQT-RUZDIDTESA-N 427.548 5.021 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)c1 733844484 ZQHZTGUUAQMHBI-FQEVSTJZSA-N 431.492 5.490 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Nc3cccc(COCc4ccco4)c3)c2)s1 740438751 BORPWUZDZZAGTE-UHFFFAOYSA-N 443.528 5.918 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)c2)s1 740484143 IBKKUDHBVAFHII-HXUWFJFHSA-N 444.585 5.943 30 20 IKED Cc1ccc([C@](O)(CC(=O)OCc2ccc(-c3ccccc3C#N)cc2)C(F)(F)F)o1 740752854 LCVAGGQHITUPQB-JOCHJYFZSA-N 429.394 5.010 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)C[C@@H](C)c2ccccc2C(F)(F)F)ccc1OC 741563528 SMCJPBXZVXSVOS-NVXWUHKLSA-N 434.458 5.205 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C[C@@H](c2ccc(F)cc2)O1 743092969 IYJYCIVYEHDWTI-YWWLGCSWSA-N 429.495 5.475 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)n1 747193024 CKVYBOQZOTUVPP-ROUUACIJSA-N 427.570 5.489 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN(Cc2cc(F)ccc2F)C2CCCC2)c1=S 751603352 BKWRSBZAQDMNQK-UHFFFAOYSA-N 441.551 5.343 30 20 IKED COC(=O)[C@H](C)[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 754892348 YSCFPOBSVZVKKI-DQMJNTIXSA-N 427.504 5.014 30 20 IKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@@H]3CCC(F)(F)C3)C2=O)cc1 763209321 CPKSQHBFFGJXLH-MOPGFXCFSA-N 443.519 5.143 30 20 IKED CC(C)n1cc2c(n1)[C@H](NC(=O)N[C@@H](C)c1ccc(-c3cccc(C#N)c3)cc1)CCC2 765892146 HQWDCHMGDHDZPL-MHECFPHRSA-N 427.552 5.440 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@@H](NCc1c(F)c(F)c(F)c(F)c1F)C(F)(F)F 768741088 IPQMWEBQYKGSGQ-LJQANCHMSA-N 449.345 5.578 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC[C@@H](c2c(F)cccc2F)C1 769489462 BULTUXREUQAZSD-IJLUTSLNSA-N 444.366 5.373 30 20 IKED N#C[C@@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)C(=O)Nc1ccc(Cl)cc1 769942516 MRTDEKUDYUPESX-WNLSXJKCSA-N 427.209 5.287 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cnc(CC(C)C)s2)c1 772841946 VXQMORZHNAGVQT-UHFFFAOYSA-N 429.615 5.115 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)ccc1OC 772978110 DKURXVKTAXNZJH-LAUBAEHRSA-N 435.593 5.967 30 20 IKED N#C[C@@H](C(=O)CCCc1ccc2ccccc2c1)c1nc(O)c2c3c(sc2n1)CCCC3 776075047 RUFCZRDCTXIWMI-FQEVSTJZSA-N 441.556 5.628 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NOCc1ccc(F)cc1Br 782040758 WRIHKACMUJSCFQ-GFCCVEGCSA-N 438.322 5.093 30 20 IKED CC(C)(C#N)CCCOC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 782354181 JGNFFEQVCPLWLL-UHFFFAOYSA-N 438.528 5.039 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(OC(F)(F)Cl)cc1 786306648 LIYISRVZBKDEML-GFCCVEGCSA-N 433.625 5.122 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(CNC(=O)OC(C)(C)C)c3)n2)cc1 786931338 WXNOLEWZXNQSJR-FQEVSTJZSA-N 447.560 5.633 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CC[C@H](C(F)(F)F)C(C)(C)C2)c1=S 790461269 SPKKUVPBNYVZOQ-KRWDZBQOSA-N 440.535 5.144 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 790814988 WFDYFEDGDKRAPZ-GGAORHGYSA-N 433.552 5.265 30 20 IKED Cc1cc(CNC(=O)OC(C)(C)C)ccc1N(C(=O)c1ccc(C(C)(C)C#N)cc1)C1CC1 796708976 ILRGDZKAHUMVIE-UHFFFAOYSA-N 447.579 5.630 30 20 IKED CCc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl 796843024 WEOIKGLVHIZUOI-UHFFFAOYSA-N 431.235 5.243 30 20 IKED C=CCn1c(S)nc2cc(C(=O)Nc3ccc(F)cc3-c3ccc(F)cc3)ccc2c1=O 797718582 FAGUAAGRTWYLON-UHFFFAOYSA-N 449.482 5.069 30 20 IKED C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nnc1SCCO[C@H](C)C#N 801651810 GEXGJMPYYGHWEZ-BCYZHJNNSA-N 444.576 5.014 30 20 IKED CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[C@@H](C#N)c1nc2ccccc2s1 805845463 VWYIKUPHFORCNM-YLJYHZDGSA-N 449.576 5.765 30 20 IKED CC(C)(C)OC(=O)NCCC[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1 811971440 GJLCWJCRQRVOSZ-JOCHJYFZSA-N 435.568 5.264 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)cc1 915087394 TVINXYRSDIRQLE-SIKLNZKXSA-N 447.947 5.437 30 20 IKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 915099978 JLCKGIIGXVPCPM-FYYLOGMGSA-N 427.529 5.259 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(CNC(=O)OC(C)(C)C)cc3)n2)cc1 915100448 QVDFUTQLJBYMHD-HXUWFJFHSA-N 447.560 5.633 30 20 IKED N#C[C@H](C(=O)CCCCc1ccc(Br)cc1)C(=O)Nc1ccccc1Cl 916909479 BVHIFOGABDPTKN-MRXNPFEDSA-N 433.733 5.163 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 916917805 JVQRERKWZHSWEM-QHCPKHFHSA-N 448.482 5.445 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)CSc1cccc2cccc(Cl)c12 916924624 AFPUNDMHBIMZOZ-INIZCTEOSA-N 438.936 5.332 30 20 IKED COc1ccc(C(=O)CCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916975175 AUVBUPWLNVLVSL-IBGZPJMESA-N 438.936 5.702 30 20 IKED C=CCn1c(SC[C@H](O)c2cccc(F)c2)nc2scc(-c3ccccc3)c2c1=O 916982214 XXDCJOQXJHIPFR-IBGZPJMESA-N 438.549 5.276 30 20 IKED N#C[C@@H](C(=O)Cc1ccc(C(F)(F)F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 917042460 FFIKUGUBFWGDNL-ZDUSSCGKSA-N 428.357 5.753 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)cc(OC)c1OC 917605499 WASANRYBMCFHBN-HJWRWDBZSA-N 425.462 5.245 30 20 IKED CCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cc(C)c(C)c(C)c2C)cc1 917612057 DJSXKOXRZJPFSI-UHFFFAOYSA-O 442.608 5.965 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nc(O)c3ccc(Cl)cc3n2)c1 1651818241 GBZHKVRLTGAQEX-HNNXBMFYSA-N 440.956 5.033 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3sc(C)nc3C)cc2)CCC1 1787335515 RFVTXOFHIJEIGV-UHFFFAOYSA-N 425.598 5.500 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnnc4ccccc34)cc2)CCC1 1788958352 KSXSQDPVKSYQCC-OAQYLSRUSA-N 440.547 5.146 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)cnc3Cl)CCC2)cc1 1791299729 BZIFFLZSBAMDTK-UHFFFAOYSA-N 433.886 5.003 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccccc2Cl)[nH]n1 1819305548 VUSWISKKUWFFLH-WIYYLYMNSA-N 440.975 5.066 30 20 IKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)s1 1823212078 SDVMKYYXKVFVSI-QRWLVFNGSA-N 447.564 5.026 30 20 IKED C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccc(Cl)cc1Cl 14133488 DYHUIXACSCIUOP-UHFFFAOYSA-N 447.391 5.786 30 20 IKED COc1ccc2nc(N(Cc3ccccc3)C(=O)[C@H](C)Oc3ccc(C#N)cc3)sc2c1 15317845 SNSJSIFIUDFKFO-KRWDZBQOSA-N 443.528 5.177 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc3cc(C)c4ccccc4n23)c1 23408179 JNWKXLVNNAQVRP-IBGZPJMESA-N 443.576 5.235 30 20 IKED C=CCn1c(SCc2c(C)cc(C)c(C(C)=O)c2C)nnc1[C@@H]1COc2ccccc2O1 25433087 AAHDAOWSPDGUMZ-QFIPXVFZSA-N 449.576 5.397 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 25437962 NFOPHTBLQPRPJP-UHFFFAOYSA-N 426.545 5.713 30 20 IKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2CC)ccc1Cl 26996854 HLUIIECKMLRFSQ-IBGZPJMESA-N 447.000 5.126 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(F)c(Cl)cc1Cl 32040537 IHEUCSXIHHCZIU-BQBZGAKWSA-N 426.159 5.772 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC 60488308 ZTPQYSBXYWNONN-KRWDZBQOSA-N 440.952 6.059 30 20 IKED CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 62882659 YEARXBQPACGNIT-LJQANCHMSA-N 428.488 5.278 30 20 IKED CC(=O)N[C@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccc(Cl)cc1 72025257 HDQZAKFNIMGHKA-XMMPIXPASA-N 447.922 5.518 30 20 IKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccccc1C(F)(F)F 102153290 GZTJGYJWFCRIJA-UHFFFAOYSA-N 431.254 5.761 30 20 IKED C[C@H](NC(C)(C)CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1 303367873 IZAWUCXGQAPURW-FQEVSTJZSA-N 443.616 5.710 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3cc(Br)ccc3F)c2)cc1 303586647 GKTQJXVPZMWYBQ-UHFFFAOYSA-N 425.257 5.291 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCC(c4c[nH]c5ccccc45)CC3)c2)cc1 303640001 QSPWWEKXSFSRBB-UHFFFAOYSA-N 435.527 5.638 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)c1 409571274 PUJGOPYRECETHF-OZXSUGGESA-N 426.516 5.035 30 20 IKED COc1cc(Br)ccc1CNC(=O)Nc1ccccc1SC[C@H](C)C#N 429424865 KHQZKTMXGUSZQF-CYBMUJFWSA-N 434.359 5.031 30 20 IKED Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)Nc1ccccc1SC[C@@H](C)C#N 430521879 FKIZPAHUPUJNOU-LBPRGKRZSA-N 446.359 6.461 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)s1 430612461 RMSMXUSOBSZHKU-OAHLLOKOSA-N 435.471 5.076 30 20 IKED N#CCC[C@H](NC(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1ccccc1 433807449 HFELJCOFJDWETK-KRWDZBQOSA-N 430.455 5.995 30 20 IKED N#Cc1cc(S(=O)(=O)Nc2cnccc2-c2ccc(C(F)(F)F)cc2)ccc1Cl 437311407 ZNEILWLFWXIYAI-UHFFFAOYSA-N 437.830 5.093 30 20 IKED Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 438066113 ZACAOSPTVMWCBG-IRLDBZIGSA-N 437.609 5.502 30 20 IKED Cc1cc(C#N)ccc1C(=O)N(Cc1ccccn1)Cc1ccc(Br)cc1F 438826925 GWOMHESGCOWHOC-UHFFFAOYSA-N 438.300 5.006 30 20 IKED CSc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cc1Cl 439311539 DUCXVTQIHWQZCM-UHFFFAOYSA-N 437.908 5.303 30 20 IKED CSCc1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 439559891 HBIKNAPKSNDYPY-NRFANRHFSA-N 449.963 5.436 30 20 IKED Cc1cc(F)ccc1N(CC(=O)Nc1ccccc1SCC#N)Cc1ccc(C#N)cc1 440322994 FZTQQFDDOHXLKC-UHFFFAOYSA-N 444.535 5.267 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)Nc1ccc(OC2CCCCC2)cc1 440882553 BEZLRTWQDGEYAQ-KRWDZBQOSA-N 437.565 5.227 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cc(C)nn1C1CCOCC1)c1ccc(C(F)(F)F)cc1 442226636 PYBNQTJFRXNMCO-LJQANCHMSA-N 436.478 5.391 30 20 IKED CCCc1c(NC(=O)c2ccc(C(F)(F)F)c(F)c2C)cnn1-c1cccc(C#N)c1 442938682 ZWMKVNVDFLIWLB-UHFFFAOYSA-N 430.405 5.415 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1nc(Cc2ccc(F)cc2)no1 445588197 KCVDISCVVHLWTH-MRXNPFEDSA-N 435.528 5.021 30 20 IKED Cn1ccnc1CC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 448371930 CFMWARAQWJPUPX-QFIPXVFZSA-N 447.970 5.216 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[C@H](COCc3ccccc3)C2)c1 460515959 HRONUJZVNQKFOF-FQEVSTJZSA-N 446.934 5.683 30 20 IKED N#Cc1cccc(NC(=O)CC(CC(=O)Nc2cccc(C#N)c2)c2ccc(Cl)cc2)c1 463240865 AXHUQNCCEJSZEZ-UHFFFAOYSA-N 442.906 5.225 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(Sc3nncn3C)cc2)cc1 464862908 MVKINUZTVUVFEV-UHFFFAOYSA-N 441.516 5.191 30 20 IKED N#CCCn1ncc(C(=O)N2CCC(F)(c3cccc(Cl)c3)CC2)c1-c1ccccc1 466894648 UDRUJZPOWKOTSO-UHFFFAOYSA-N 436.918 5.218 30 20 IKED C[C@@H](NC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1)c1ccc(C#N)cc1 467902395 YNQLIGGJKRLQTI-QGZVFWFLSA-N 438.453 5.445 30 20 IKED CCOc1ccc(-n2c(SCc3cc(F)ccc3C#N)nnc2-c2ccncc2)cc1 468848455 GZVDPALVPOIMKB-UHFFFAOYSA-N 431.496 5.031 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 469677379 OEPJOASOUGAOJQ-INIZCTEOSA-N 427.520 6.070 30 20 IKED CCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 470150336 HJDRAPJBXZTMIV-LJQANCHMSA-N 438.531 5.867 30 20 IKED COc1ccc(-c2cc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)ccc2OC(F)F)cc1 470737576 QBJYYOLPKWQIOY-IBGZPJMESA-N 447.441 5.156 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cccc(NC(=O)N(C)C)c1C)c1ccc(C(F)(F)F)cc1 471375488 YJNKRRXXJFNPIT-HXUWFJFHSA-N 448.489 5.936 30 20 IKED N#Cc1cc(C(=O)Nc2nc(C3CC3)c(Cc3cccc(C(F)(F)F)c3)s2)ccn1 475531329 UMNLMSMYUBSHLR-UHFFFAOYSA-N 428.439 5.149 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C 476079838 MDAIWWRMLRHFOY-UHFFFAOYSA-N 436.577 6.240 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1nc2ccccc2n1C(F)F 477884981 VJTZRLWJJBDINV-MRXNPFEDSA-N 430.503 5.058 30 20 IKED Cc1ccc2c(N[C@@H](C)c3ccc([S@](C)=O)cc3)c(C#N)cnc2c1Br 480088711 AJZFNDSOMSDROT-NRRJATNASA-N 428.355 5.088 30 20 IKED CN(Cc1nccn1Cc1ccccc1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 480123863 UKWAFOFNAPMNBR-UHFFFAOYSA-N 438.556 5.226 30 20 IKED N#CCC[C@H](NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccccc1 482320140 SAZSYULXYAWAPT-DLBZAZTESA-N 429.364 5.653 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 483175717 BTFZKXSIGDDQOW-UHFFFAOYSA-N 449.514 5.361 30 20 IKED CC(C)c1c(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cnn1-c1ccc(Cl)cc1 485179317 RNERIOXECZFBCK-GGAORHGYSA-N 447.970 5.953 30 20 IKED C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C 485518361 MNUNTIZKQMOOEO-CSMYWGQOSA-N 435.387 5.039 30 20 IKED Cc1ccc(Cn2nc(C)c(CCC(=O)N[C@H](CCCC#N)c3ccccc3)c2C)cc1 487218999 LPLQVGCUTZSTBX-AREMUKBSSA-N 428.580 5.341 30 20 IKED CC[C@H](C)c1ccc([C@@H](NC(=O)CCc2c(C)nn(CCC#N)c2C)c2cccs2)cc1 493665372 CWYSLEDPCHUXSA-HFJWLAOPSA-N 448.636 5.827 30 20 IKED Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 499136528 NYCJDADSPMFAKS-UHFFFAOYSA-N 433.924 5.005 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 500707198 CVWJRXSBZOWACV-HXUWFJFHSA-N 431.496 5.156 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCOc2c(Br)cccc21 505296938 CLBJTBDFUQQCEU-XJKSGUPXSA-N 446.370 5.346 30 20 IKED CCCOc1ccc(Oc2ncccc2CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1 506631859 LARKJDRMAKZSEI-UHFFFAOYSA-N 445.494 5.021 30 20 IKED C=CCn1c(-c2ccccc2Br)nnc1N1CCC(c2ncc(C)s2)CC1 508894506 LGMNCCDZHNPHTA-UHFFFAOYSA-N 444.402 5.043 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCCC[C@H]2c2ccncc2)cc1Cl 510052816 BZWDKNVWTUDDIN-ZCYQVOJMSA-N 444.966 6.540 30 20 IKED N#C[C@@H](NC(=O)c1cccc(COc2cccc(F)c2)c1)c1ccc(Br)cc1 510064003 UGPHSNWJMACFQC-OAQYLSRUSA-N 439.284 5.162 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 510886466 FPUKSKDRDQDLTB-UHFFFAOYSA-N 449.514 5.857 30 20 IKED C[C@H]1C[C@@H](CCNC(=O)Nc2ccccc2SC[C@H](C)C#N)CN1Cc1ccccc1 510893295 AOGPFYCIGSVDOF-RZUBCFFCSA-N 436.625 5.361 30 20 IKED CCN(C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@@H](C)c1cc2ccccc2o1 511416339 VRRVSINYQNDNNU-RPCJCACASA-N 432.524 5.182 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1ccc(-c2ccc(Br)s2)s1 514963375 JWXDZBVZLRRMBZ-UHFFFAOYSA-N 448.367 5.569 30 20 IKED CC(C)CNC(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1Cl 515507063 AIWCKYAPOYOHSP-UHFFFAOYSA-N 431.923 5.517 30 20 IKED CC(=O)c1ccc(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)o2)cc1 516270338 SVUHMJQGCBRUBX-HXUWFJFHSA-N 437.480 5.634 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCc1ncc(-c2ccccc2Cl)o1 518738884 CUMZHQCHNWDRBF-HNNXBMFYSA-N 425.941 5.961 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CCSc3c(F)cccc32)cc1C 520470783 DUUSZHTTYVLBBH-NRFANRHFSA-N 434.540 5.187 30 20 IKED COc1cc(C)c([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC 522085707 WIQNAWKDCQPUCW-QGZVFWFLSA-N 431.492 5.559 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)c1 522572359 RCLXREZNQTTYNL-PKOBYXMFSA-N 442.968 5.131 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1c1cc(Br)ccc1OC 522953404 SQXXOQMJIWYMQX-GOSISDBHSA-N 444.329 5.097 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)NCC3CCN(Cc4cccs4)CC3)c2)cc1 523409320 UVOAWTPEJLAZDK-UHFFFAOYSA-N 430.577 5.005 30 20 IKED Cc1csc(Sc2ccc(NC(=O)CSCc3ccc(C#N)cc3)c(C)c2)n1 523706769 ZHUBLANXDBABJQ-UHFFFAOYSA-N 425.604 5.655 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(-n4cccn4)cc3)cc2Cl)c1 524390592 VXDIZWYNUSGOKY-UHFFFAOYSA-N 428.879 5.229 30 20 IKED C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 525327809 IUPFWVZZMGQLCX-UHFFFAOYSA-N 436.339 5.324 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(OC2CCC2)cc1Cl 533924945 LQFUVSKRKPCSQG-UHFFFAOYSA-N 433.895 5.891 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](Cc1ccccc1)C(=O)OC(C)(C)C 534229464 KTYLPWWKROWMQK-YLJYHZDGSA-N 439.581 5.155 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COc2cccc(F)c2C#N)cs1 534394578 ORNKOZXYJKUQPL-UHFFFAOYSA-N 435.402 5.436 30 20 IKED C=C(C)[C@H](CC(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)OCC 535907316 XNEVHOPTJYYHAN-PZJWPPBQSA-N 431.458 5.159 30 20 IKED CCN(Cc1cccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1)C(C)=O 536412830 YJIRBLMAYGPABH-UHFFFAOYSA-N 447.922 5.625 30 20 IKED C[C@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1nc(-c2ccccc2)no1 536449898 WODWERHWZMRJOF-QGZVFWFLSA-N 440.528 5.293 30 20 IKED C=CCCC[C@@H](C)NC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 537240316 YZIHVNFAKOVOOZ-SNVBAGLBSA-N 436.812 5.352 30 20 IKED C[C@H](CCO)N(Cc1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 537928334 MLLNQOBGXVROBX-OAQYLSRUSA-N 443.547 5.137 30 20 IKED Cc1cc(-c2cc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)c3cnn(C(C)C)c3n2)c(C)o1 538580093 NECRUSZCLHEVRQ-SFHVURJKSA-N 447.564 5.959 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@@H](c3ccccc3)[C@@H]3CCOC3)cc2F)c1 539029989 PZABZXMQEQBVRP-BWKNWUBXSA-N 445.494 5.176 30 20 IKED CCCN1C(=O)CCc2cc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)ccc21 539150884 CWVSDVLPSSWIAD-UHFFFAOYSA-N 439.515 5.486 30 20 IKED N#Cc1cccc(-n2ccc(C(=O)N(CCc3ccccc3)c3nc4ccccc4s3)n2)c1 539502900 HOEWHRXBFAMGLH-UHFFFAOYSA-N 449.539 5.243 30 20 IKED CCCN1C(=O)CCc2cc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)ccc21 540249038 RQGCUJPEGFZPPO-UHFFFAOYSA-N 439.515 5.079 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)cc1 543805582 KKHWVSILEBLDJI-CQSZACIVSA-N 429.404 5.118 30 20 IKED Cc1nc(CN2CCC(C(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CC2)cs1 543917524 HVMXKBNWMAUKRN-SFHVURJKSA-N 444.604 5.080 30 20 IKED Cc1ccc(C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c(O)n1 544027111 UWSIPLKBZCPZAV-GFCCVEGCSA-N 446.269 5.167 30 20 IKED Cc1csc(Oc2ccc(NC(=O)CCCCOc3cccc(C#N)c3)cc2F)n1 548387258 DEMYQJLWEXKNDE-UHFFFAOYSA-N 425.485 5.442 30 20 IKED CC(C)(CNC(=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1)C(F)(F)F 548898009 ICIVQAUSLORZSW-UHFFFAOYSA-N 430.364 5.144 30 20 IKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 549366789 XSAQSRQTGOVCNW-UHFFFAOYSA-N 439.397 5.177 30 20 IKED N#Cc1cc([N+](=O)[O-])c(N[C@@H]2CCc3c(O)cccc32)cc1N[C@H]1CCc2c(O)cccc21 553401609 RNXWXXCIJVXNRZ-VQTJNVASSA-N 442.475 5.076 30 20 IKED Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)N2CCC(C#N)(c3ccccn3)CC2)cs1 573051153 FDYMCVVYOVOEIQ-UHFFFAOYSA-N 448.567 5.014 30 20 IKED CSCc1cccnc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 579294437 PJPIQBHIGVCGMF-UHFFFAOYSA-N 448.495 5.135 30 20 IKED C=CCn1c(SCC(=O)c2ccnc(C(F)(F)F)c2)nnc1-c1ccc(Cl)cc1 580488866 KTGSUXMXAIIINF-UHFFFAOYSA-N 438.862 5.173 30 20 IKED Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c[nH]c12 586874074 FSQJHUVWMHXYDL-FQEVSTJZSA-N 445.881 5.537 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cccc(NC(=O)C2CC2)c1 603533131 PACQTHANHZISJP-UHFFFAOYSA-N 427.479 5.201 30 20 IKED C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 604046400 DQRQMDYDZKDAFP-AWEZNQCLSA-N 436.855 5.351 30 20 IKED CN1CCC[C@H](CNC(=O)c2cc(F)c(F)c(F)c2F)[C@@H]1c1ccc(C(F)(F)F)cc1 605104178 WULWBCLHZPMZJA-BLVKFPJESA-N 448.382 5.075 30 20 IKED COc1ccc(-c2nc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)sc2C)cc1 609054518 UCTCGBQHEZWUQC-UHFFFAOYSA-N 445.500 5.423 30 20 IKED Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609103818 CFFUHTNMCBXEAD-UHFFFAOYSA-N 427.435 5.492 30 20 IKED COc1cccc2c1OC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)C2 609123426 KOFXPNJIMFEYJK-FPOVZHCZSA-N 447.922 5.129 30 20 IKED COc1ccccc1[C@H]1CCCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 609281604 HLRVHCOWIBUJIX-HSZRJFAPSA-N 427.504 6.118 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 609403159 XWRDRXLZYWCNAL-DLBZAZTESA-N 436.606 5.960 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccc2)cc1 609434944 DPMLZHCEOXTZHS-UUOWRZLLSA-N 431.561 6.001 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)cc1 610043253 PISYRKXSUNVXNE-UHFFFAOYSA-N 431.879 5.675 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)c1 610184477 IGFBDJPJRIJDNK-NTKDMRAZSA-N 432.907 5.512 30 20 IKED Cc1cccc2c(N3CCC(C(=O)Nc4ccc(Br)cc4)CC3)c(C#N)cnc12 610275348 UZWJWOINZWMUJB-UHFFFAOYSA-N 449.352 5.033 30 20 IKED Cc1cc(C)c(C[C@H](C(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)C(F)(F)F)c(C)c1 611118352 VQGHFLUOUMWTSU-ILXRZTDVSA-N 449.357 5.532 30 20 IKED CN(CCCOc1ccc(F)cc1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 612806435 YOEMSMGOWXWKOP-STQMWFEESA-N 444.391 5.146 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2ccccc2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613344765 PYJUETDWGLFRLW-INIZCTEOSA-N 439.327 5.793 30 20 IKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)C2CCCCC2)nnc1-c1cccnc1 613991912 RZHGLMKRJYTEAZ-HSZRJFAPSA-N 447.608 5.056 30 20 IKED N#CCn1c(-c2nc(CC(=O)Nc3ccc(Oc4ccccc4)cc3)no2)cc2ccccc21 618403176 YUFVHBCOBVQKSI-UHFFFAOYSA-N 449.470 5.188 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618539663 NBVGJHPJRRNNRW-IUCAKERBSA-N 442.709 5.953 30 20 IKED C[C@H](CSc1ccc(F)cc1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 674783624 HHWIDPXOGGIXIR-IJLUTSLNSA-N 431.417 5.580 30 20 IKED Cn1ncc(NC(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)c1C(F)F 677617375 FJYUAKFJURNWIQ-UHFFFAOYSA-N 430.349 5.378 30 20 IKED O=C(NCC1(c2ccc(F)cc2F)CC1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 677764054 LILPRVISHWFAIQ-GHMZBOCLSA-N 444.366 5.205 30 20 IKED O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccc(C(F)(F)F)c(F)c1 682189106 AMORKIMHMNCLDD-UHFFFAOYSA-N 434.311 5.464 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC2(CCOCC2)[C@H]1C 685544064 SHAMLMHYKJKPOC-WOJBJXKFSA-N 432.568 5.153 30 20 IKED O=C1/C(=C\c2csc(-c3ccc4c(c3)OCO4)n2)CC/C1=C\c1cccc([N+](=O)[O-])c1 728439621 BUXOSHLFGYYRHB-BAEUGAPFSA-N 432.457 5.277 30 20 IKED COc1ccccc1[C@H](C)CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 728766792 KZQMMTAXXCSFNC-WIYYLYMNSA-N 428.488 5.329 30 20 IKED CCOc1ccc(-c2nc(COC(=O)c3cc4ccccc4n3CC#N)cs2)cc1OC 729766446 IJCZJYXQKIYEPZ-UHFFFAOYSA-N 447.516 5.053 30 20 IKED O=C1/C(=C\c2ccc(OCc3occc3C(=O)O)cc2)CC/C1=C/c1cccc([N+](=O)[O-])c1 730949682 ZOYBTPPCTMSUJM-BKHHGCLFSA-N 445.427 5.295 30 20 IKED COc1cc2ccccc2cc1C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 731063629 QWNCZZIYGKEFOG-INIZCTEOSA-N 434.517 5.038 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 731288419 UTRHPTPQYLIXGX-NJYVYQBISA-N 436.483 5.606 30 20 IKED C[C@H](C#N)Oc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(C(F)(F)F)c2)cc1 731300718 JKONXOZFIPPUJY-IVZQSRNASA-N 437.421 5.767 30 20 IKED O=Cc1cccc(OCc2ccccc2C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1 731602064 DMYKATIKXKJZDK-UHFFFAOYSA-N 432.479 5.125 30 20 IKED N#CCCN(C(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1ccc(F)cc1 732095171 PYWLQRHHSVDPCX-UHFFFAOYSA-N 447.560 6.288 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 732900911 ZNBXYHIQOWYOFE-MRXNPFEDSA-N 426.806 5.372 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)ccc1OC 733230070 KUDFQWOCUHFXBU-KDOFPFPSSA-N 435.351 5.178 30 20 IKED CCCN(Cc1c(F)cccc1Cl)C(=O)NCc1ccc(OC)c(O[C@H](C#N)CC)c1 733655726 AFSXBZQOTFTSBU-KRWDZBQOSA-N 447.938 5.290 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)CSc2cc(C)c(Br)cc2C)c1 733771671 QSTUSNOZKRHYAA-QGZVFWFLSA-N 447.398 5.155 30 20 IKED O=C1/C(=C\c2nccn2Cc2ccccc2)CCC/C1=C/c1nccn1Cc1ccccc1 734095619 DLSGHNFDWVFQBV-GJEUYDLNSA-N 434.543 5.396 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)c2)s1 740482907 IFXUCMYKFRVJLS-OAQYLSRUSA-N 445.544 5.105 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc(Cl)c1OC 741447837 QFICIIHQWXIDPM-JYRVWZFOSA-N 448.968 5.360 30 20 IKED O=C(/C=C/c1nc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741841121 CXJFBMDPEPPNHE-ZHACJKMWSA-N 437.464 5.042 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C 742580777 GITHNMREGCWPRK-IBGZPJMESA-N 435.524 5.387 30 20 IKED CCOc1cccc(NC(=S)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 742999352 RRAWCYQHRHMDRI-UHFFFAOYSA-N 425.501 5.919 30 20 IKED Cc1ccc2[nH]cc(CCC(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c2c1 747108791 SJWLYJIESXSHHF-JOCHJYFZSA-N 437.499 5.549 30 20 IKED COC(=O)[C@@H]1CCC[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1 751153807 XCEFJDGELIUVFI-JMSVASOKSA-N 437.348 5.273 30 20 IKED N#Cc1ccc(COC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)c(OC(F)F)c1 752202313 SFMDIKIACDGVII-UHFFFAOYSA-N 438.308 5.190 30 20 IKED C[C@H](ON=Cc1c(Cl)nc2ccccn12)c1nnc(-c2ccc(Cl)cc2Cl)o1 757621237 BFQQQGUJAPNYPO-JTQLQIEISA-N 436.686 5.456 30 20 IKED C#CCNC(=S)/C(=C(/O)c1ccc(Br)cc1)[n+]1ccc(C(CC)CC)cc1 759064179 UJBCFIYNNAVFPW-UHFFFAOYSA-O 444.418 5.074 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCc3c(-c4ccccc4)cccc32)ccc1OC 768351319 OJTBMLNLTDTXGE-OAQYLSRUSA-N 441.531 5.315 30 20 IKED CCOc1cc(/C=C2\CCc3nc(O)ccc3C2=O)ccc1OCCOc1ccc(C)cc1 769614744 MJHNYQBAYUEQJC-CAPFRKAQSA-N 445.515 5.165 30 20 IKED Cc1ccc(C)c(-n2ncc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2C)c1 772552792 ZHTHJYSDEIYRRP-INIZCTEOSA-N 441.318 5.066 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(N2CCCCC2)cc1 777302891 TWSBOPXUVHNQRR-QHCPKHFHSA-N 439.515 5.430 30 20 IKED O=C(NOCCC(F)(F)F)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 779430892 SIRCVXIRHCMSPN-UHFFFAOYSA-N 427.276 5.037 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2ccccc2O[C@@H](C)C#N)ccc1OCCC(C)C 780670264 JZABUGFURORGDS-ROUUACIJSA-N 425.529 5.294 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2cccc(-c3cccs3)c2)cc1 783097948 QTZZOSJTQNQTAI-QHCPKHFHSA-N 437.524 5.648 30 20 IKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(CC(F)(F)F)C2=O)cc1 799214846 OQJYBENRZYDMDL-SFHVURJKSA-N 449.498 5.134 30 20 IKED CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(F)cc1 799218796 GKNOTJVOWNREPX-HNNXBMFYSA-N 440.327 5.113 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)c1 799633948 JOZSURLLYNXIHE-OAHLLOKOSA-N 428.319 5.599 30 20 IKED CC(C)(C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21)c1cc(F)cc(C#N)c1 803924605 LGBHOGZPPNWKEA-UHFFFAOYSA-N 446.503 5.348 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(CC(C)C)[C@H](C)c2ccccc2C)ccc1OC 806807184 VTAOLAQWAJLAIU-IFMALSPDSA-N 437.584 5.613 30 20 IKED CC(C)(c1cc(F)cc(C#N)c1)c1nc(-c2ccc(Cn3cnc4ccccc43)cc2)no1 904480626 YLOAQZFRJLNUBO-UHFFFAOYSA-N 437.478 5.471 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 914449711 GJNFYZJOPNNEFF-UHFFFAOYSA-N 429.570 5.732 30 20 IKED Cc1ccc(C(C)C)c(OCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 916904507 FICIQZPFKHMPSU-QFIPXVFZSA-N 442.515 5.637 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCN2c3ccccc3Sc3ccccc32)cc1 916951305 XQSZDQXUTQEOEW-LJQANCHMSA-N 443.528 5.036 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCC(=O)c2ccc3ccccc3c2)cc1 916954492 IIRAGUOMNCRRMQ-MHECFPHRSA-N 426.516 5.664 30 20 IKED N#C[C@H](C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1nc2cc(Cl)ccc2s1 917047038 PBMCUWOOPFCJQV-BZUAXINKSA-N 449.988 6.486 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(Br)s2)cs1 917557628 DCGIVRLYIFEDQF-VMPITWQZSA-N 447.379 5.856 30 20 IKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2)s1 917675174 FZIJKVGYYPVHMC-FQEVSTJZSA-N 435.574 5.217 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3scnc3C(F)(F)F)cc2)CCC1 1787575993 BSQRYBRUISOTJQ-UHFFFAOYSA-N 449.498 5.103 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc4ccccc4n3C)cc2)CCC1)C(F)(F)F 1788887221 USQZXGCIEDAJSV-UHFFFAOYSA-N 441.453 5.045 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccco4)no3)CCC2)cc1 1789626452 XVKJZRKRCUPBOF-UHFFFAOYSA-N 447.535 5.675 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5ccsc5[nH]4)cc3)CCC2)c1 1790877040 HKWHYXXMCSFPGR-UHFFFAOYSA-N 440.528 5.163 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CC(C)(C)C(=O)OC(C)(C)C)CCC2)cc1 1791249329 QBSDQPMUOIUPSV-SFHVURJKSA-N 442.600 5.091 30 20 IKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cccc4c3oc3ccccc34)CCC2)cc1 1791578536 FSSMXGYBIINPQU-MRXNPFEDSA-N 444.556 5.652 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)Cc3ccc(SC)cc3)cc2)CCC1)C(F)(F)F 1791735940 KGVXCWNEFUAWQQ-UHFFFAOYSA-N 448.510 5.204 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)Cc3ccccn3)cc2)CCC1 1791764140 FACNUAXDSXPKLW-HXUWFJFHSA-N 431.580 5.163 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3F)cc2)CCC1 1792168725 FXXREQFUOMEVGY-UHFFFAOYSA-N 447.432 5.142 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OC(C)C)c(Cl)c1 1800313698 MJMCCFLVAWKSFU-PLACYPQZSA-N 445.003 5.147 30 20 IKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827735906 SCGSEGJFRDFMGZ-NRFANRHFSA-N 440.971 5.409 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(C)cccc3[nH]2)CC1 1828575411 IUTSQWGHQDTBIN-AREMUKBSSA-N 447.623 5.478 30 20 IKED CCCCc1ccc(-c2ccc(C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)C(C)(C)C#N)cc2)cc1 1847346258 CBWKSZHWIOFQIV-DQEYMECFSA-N 443.591 5.061 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cccc(Cl)c1)=C(/S)Nc1ccc(Cl)cc1 10831817 AKMGOKLRNDCZCR-UHFFFAOYSA-O 430.380 5.894 30 20 IKED CC(=O)N(c1nc(CSc2nc3c(c(C)c2C#N)CCC3)cs1)c1cccc(C)c1C 22122587 ZUSDFPVYNJEVBH-UHFFFAOYSA-N 448.617 5.801 30 20 IKED CCOc1ccccc1NC(=O)[C@H](Sc1nc2c(c(C)c1C#N)CCC2)c1ccccc1 24851485 NFNVVXAOLRTGHH-XMMPIXPASA-N 443.572 5.621 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3cccs3)no2)nc2sc(C)c(C)c2c1=O 26022659 DGSDDAVNKUPLQC-GFCCVEGCSA-N 430.580 5.226 30 20 IKED CC(C)C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1nc2ccccc2[nH]1 59363682 OXCIPJLYJSLYHQ-OAQYLSRUSA-N 428.492 5.124 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 63401049 OXQLNKXJYJNVSE-UHFFFAOYSA-N 428.517 5.326 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1Cl 107875283 LEQJQPTVUGVHFT-OAQYLSRUSA-N 442.906 5.117 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 303286372 LKTKNCKVWHXWAX-QGZVFWFLSA-N 445.523 5.306 30 20 IKED CCc1cccc(Oc2ccc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)cn2)c1 303328093 JCMALVCRURGPLZ-UHFFFAOYSA-N 442.519 5.102 30 20 IKED N#CCCCS(=O)(=O)NC[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 303460255 LIAFNNQPNHRLEZ-QHCPKHFHSA-N 443.572 5.190 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3[nH]ccc3c2)c1 303604775 QLBKCXVTUAPGJX-UHFFFAOYSA-N 426.501 5.023 30 20 IKED Cc1ccc(-c2nc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)sc2C)cc1 428328559 YRRRZEIHAVZHLM-UHFFFAOYSA-N 427.533 5.456 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 428912663 OYAYFRJSRGNPDH-KRWDZBQOSA-N 441.560 5.387 30 20 IKED CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 432079655 ULZLAFPQHCOYJB-XMMPIXPASA-N 443.551 5.421 30 20 IKED C[C@@]12CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)C[C@@H]1C2(F)F 432855982 UWCOWTZXFLGLAP-PZJWPPBQSA-N 431.870 5.300 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](Oc3ccncc3)C2)cc1Cl 433244619 JPJITCQJAAGJSM-IFMALSPDSA-N 432.911 5.076 30 20 IKED N#Cc1ccc([C@@H](Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)C(N)=O)cc1 436001322 NUETWFUPEARYQJ-HXUWFJFHSA-N 434.908 5.252 30 20 IKED COc1cc(Oc2ccccc2)ccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 437907818 KYVIBXSERHVDSA-UHFFFAOYSA-N 437.455 5.799 30 20 IKED CCCc1c(NC(=O)N[C@H](c2ccccc2)c2nccs2)cnn1-c1cccc(C#N)c1 439699812 ZJQSLBZIJIJKLY-JOCHJYFZSA-N 442.548 5.064 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(Oc4cccc(Cl)c4Cl)nn3)[nH]c12 442732593 WISRUXCSYNNWOL-LBPRGKRZSA-N 438.274 5.251 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c2ccccc21 444035691 RQZWQRKSDBJHDF-UHFFFAOYSA-N 428.536 5.260 30 20 IKED N#Cc1cc(F)c(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)(F)F)c(F)c1 446034190 AYUKQYAIHATRNV-UHFFFAOYSA-N 440.315 5.762 30 20 IKED COc1cccc(CN(C)C(=O)[C@@H](C)c2cccc(C#N)c2)c1OCc1ccccc1F 462421084 IFXGRGVWGUOMNJ-SFHVURJKSA-N 432.495 5.047 30 20 IKED N#CCSc1ccccc1NC(=O)CN1CCC(c2cccc(Cl)c2Cl)CC1 463357954 BMZXYALFDFMASP-UHFFFAOYSA-N 434.392 5.427 30 20 IKED Cc1nc(C(F)(F)F)sc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 463946928 BVSNBXMQXGDQHY-UHFFFAOYSA-N 439.406 5.747 30 20 IKED Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 464919713 JNLJMCUACNDGQZ-UHFFFAOYSA-N 427.504 5.814 30 20 IKED C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(Br)s1 468172553 AGOJKIYXVDXAEE-GFCCVEGCSA-N 431.311 5.045 30 20 IKED CO[C@H](CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(F)(F)F 469117683 RZFBPHAOQRXAML-QGZVFWFLSA-N 427.810 5.093 30 20 IKED CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470536451 DZAIXZYOXKNTCS-NOZRDPDXSA-N 444.579 5.460 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)Oc1cnc2ccccc2c1 470878427 YGLRHMKINFKYNV-IBGZPJMESA-N 437.499 5.400 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)n1 474433773 JVNRPMAUHMWJQJ-SFHVURJKSA-N 429.549 5.749 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C(=O)Nc1cccc2c1CN(c1ccccn1)C2 475186432 YOCPJABPINNNRA-UHFFFAOYSA-N 440.547 5.031 30 20 IKED N#CCCN(C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1)c1ccc2c(c1)OCCO2 476005994 AQAUCIPKOSBUET-UHFFFAOYSA-N 442.393 5.297 30 20 IKED C=CCN(C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1nc2c(s1)CCCC2 476585514 XFIIPLPGUGOICZ-UHFFFAOYSA-N 449.498 5.000 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2Cl)nnc1-c1ccccc1C 481406098 YSHHFLIJHIHIDX-MRXNPFEDSA-N 426.973 5.062 30 20 IKED Cc1n[nH]cc1NC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482337362 VELOIOBDCHFHEC-LLVKDONJSA-N 434.262 5.181 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N(C)[C@H](C)c1ccncc1 483216548 WULCPEIHVZEOBH-QGZVFWFLSA-N 434.565 5.253 30 20 IKED C=CCC[C@H](NC(=O)NCCc1nnc(C(C)C)s1)c1ccc(C(F)(F)F)cc1 489757757 UUHHVFIRRJBPTH-INIZCTEOSA-N 426.508 5.230 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 489926833 CSNQATWOUZCFDS-UHFFFAOYSA-N 445.544 5.205 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3cccc(F)c3)C[C@H]3CCCO3)cc2)cc1 498006947 MYTLRLKTYPYWFL-RUZDIDTESA-N 445.494 5.703 30 20 IKED Cc1nc([C@H]2CCCCCN2C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)no1 501837677 BYNYFGOBBAELKY-LJQANCHMSA-N 436.899 5.453 30 20 IKED N#C[C@@H](NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1)c1ccc(Cl)cc1 505820414 KUABQMOZFXSXSW-GOSISDBHSA-N 441.965 5.127 30 20 IKED O=C(CN[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)Nc1ccccc1OC(F)F 505844053 DHZGKQQHANQKDQ-OAHLLOKOSA-N 442.306 5.139 30 20 IKED CCC(C)(C)NC(=O)c1ccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1Cl 507157798 CDKDAYZUMJHZNM-UHFFFAOYSA-N 429.923 5.185 30 20 IKED COc1cc(OC)c2cc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)[nH]c2c1OC 507908622 MMVWPPSIPXDJOU-UHFFFAOYSA-N 443.459 5.110 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(OCc3cccs3)c2)cc1 508163145 XWNMDEOVMGAQMO-UHFFFAOYSA-N 432.545 5.394 30 20 IKED C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@@H](c2ccco2)C1 508746527 KSYIHMUCFJAEOP-FXAWDEMLSA-N 442.947 5.045 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCCCC[C@H]3c3ccccc3)c2)c1 511533502 VNOHRDZXXOLDMM-VWLOTQADSA-N 438.531 5.960 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(Cc4ccccc4)n3)n2)cc1 512500888 ZXXAISFGJIMXGZ-GOSISDBHSA-N 426.526 5.219 30 20 IKED Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1ccccc1-c1ccccc1C#N 515693817 BTRDJMMPXLRBEK-UHFFFAOYSA-N 437.543 5.658 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1nc2cc(Cl)ccc2s1 516270341 SYYOKUKTEFUSBP-CYBMUJFWSA-N 447.734 5.932 30 20 IKED COc1cccc(C[C@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 517678204 FBOLCLHLMVBLBQ-JOCHJYFZSA-N 427.504 5.598 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 518147373 AKQMZGJAWIVBQT-GOSISDBHSA-N 447.526 5.562 30 20 IKED COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 519449937 PKNUPXRXUVPZAO-DOTOQJQBSA-N 444.988 5.001 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cn(-c3ccccc3Cl)nn2)cc1Cl 519921757 YWIQTFRNECNGSW-GOSISDBHSA-N 448.313 5.482 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)cc2)nc1 520324462 YGWYXVDQXHZZRI-UHFFFAOYSA-N 431.455 5.337 30 20 IKED CC(C)c1cc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)nn1C(C)(C)C 520536331 BLFPDLGAPPYRDG-QHCPKHFHSA-N 430.552 5.335 30 20 IKED CC(C)Oc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(C(F)(F)F)c1 520626394 LODDWOOQHUAOOX-UHFFFAOYSA-N 440.421 6.409 30 20 IKED CC(C)COc1ccc(CC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 520714582 ZOKUQIGGKZGVRN-UHFFFAOYSA-N 427.504 5.027 30 20 IKED C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccccc3SCCC#N)cc2[N+](=O)[O-])C1 521717009 PZFVEAXKSOWNMJ-IAGOWNOFSA-N 438.553 5.335 30 20 IKED Cc1ccc(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1Oc1ccncc1 522304132 RSWXNELERYXNIB-UHFFFAOYSA-N 427.504 5.174 30 20 IKED CC(=O)N(CCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)Cc1ccccc1 522346219 YJAUPGWCTIIXGO-UHFFFAOYSA-N 447.922 5.381 30 20 IKED Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 522574646 DIHHNWGTSNCMKJ-UHFFFAOYSA-N 447.922 5.332 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(CCC(=O)N4CCCC4)cc3)c2)cc1 523159170 NMCHHECOOMGEBD-UHFFFAOYSA-N 438.531 5.109 30 20 IKED C[C@H](CC(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c1ccccc1C(F)(F)F 525558542 UPLCXJITPHCCPU-CQSZACIVSA-N 428.376 5.662 30 20 IKED Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)Nc1ccccc1SC[C@H](C)C#N 535971176 YSWCEGPEWXOPLM-MJGOQNOKSA-N 433.581 5.293 30 20 IKED CN(C(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 538571479 BCGJVIOCMSAPJI-UHFFFAOYSA-N 437.421 5.724 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3coc(-c4ccccc4Cl)n3)n2)cc1 539587340 ZSWGBROBBUTEDD-INIZCTEOSA-N 430.876 5.480 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccc(-c2ccc(Cl)cc2)s1 540029158 IXBDRMYMERQRSG-LBPRGKRZSA-N 444.343 5.409 30 20 IKED Cc1ccc(OC2CCN(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)CC2)cc1C 541097337 MDJAKACHPOPUCM-UHFFFAOYSA-N 449.942 5.090 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1 541706636 XZKDFINHLNECML-QPPBQGQZSA-N 431.467 5.531 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C(=O)OC)c3c(F)cccc3Cl)o2)cc1 541780769 SINKEJXARQVVRT-KRWDZBQOSA-N 434.876 5.100 30 20 IKED C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@@H](COCC)C1 549302213 AGLLLZUSVFGYCB-LJQANCHMSA-N 437.613 5.206 30 20 IKED C=C1CCN(c2nnc([C@@H](C)Oc3ccc4ccccc4c3)n2C[C@H]2CCCCO2)CC1 549998638 TZUSPZMDCXLPIP-HYBUGGRVSA-N 432.568 5.297 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2cccc(Cl)c2)cc1C 555334436 WRQHVFCXZQEIPR-UHFFFAOYSA-N 433.939 5.868 30 20 IKED C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(Sc2ccc(Cl)cc2)CC1 558989248 PFIJDLQYGJETAZ-UHFFFAOYSA-N 440.016 5.255 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc(-c3cccc(C#N)c3)no2)cc1 562597827 LFSAPLVOTNDLAY-UHFFFAOYSA-N 436.446 5.067 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@@H]1c1csc(C)n1 567401414 FZQOJDXRQDSQLL-IIBYNOLFSA-N 439.585 5.109 30 20 IKED C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 571246988 JOXLULVHALPPLH-JKSUJKDBSA-N 448.958 5.062 30 20 IKED N#Cc1cc(NCc2cccc(-c3nc(CC(F)(F)F)no3)c2)ccc1C(F)(F)F 571253361 WOBFYHPPXLCBSF-UHFFFAOYSA-N 426.320 5.344 30 20 IKED CN(CCOCc1ccc(C#N)cc1)Cc1cccc(NC(=O)c2ccccc2Cl)c1 577325372 AXXAALAEJRAWJU-UHFFFAOYSA-N 433.939 5.113 30 20 IKED FC(F)(F)c1cc(CNC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1Cl 589639164 QIFVPGKOGABIQH-NXEZZACHSA-N 427.738 6.358 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590327979 CBMPUTNMYQJAQF-DTORHVGOSA-N 426.254 5.439 30 20 IKED CCOc1ccc(C(=O)CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 590479742 NWKBGPDJPJPFDJ-UHFFFAOYSA-N 446.478 5.277 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 603649610 YNDSDVMNVOPMFM-UHFFFAOYSA-N 430.455 5.288 30 20 IKED CCN(C[C@H](C)C#N)C(=O)CSc1nnc(SCc2ccc(C(C)C)cc2)s1 603904846 RGUKRGBJCORXLF-OAHLLOKOSA-N 434.656 5.054 30 20 IKED N#Cc1ccc(CNC(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)cc1 604075909 BIKPIVBQILQUBX-OAQYLSRUSA-N 438.300 5.049 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(C)c1 604500137 CDOULTJACRLSFV-UHFFFAOYSA-N 445.567 5.030 30 20 IKED CC1CCN(Cc2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2)CC1 608812610 XMKOWJCNALCCSO-UHFFFAOYSA-N 429.520 5.214 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N2CC=C(c3cccc4ccccc34)CC2)c1 608812909 ODCYIVMXDTVBHA-UHFFFAOYSA-N 434.495 5.813 30 20 IKED CC[C@@H](c1ccccc1)c1nnc(SCC(=O)N(CCC#N)c2cc(C)cc(C)c2)o1 609019046 WGQPNGICBQRBAW-NRFANRHFSA-N 434.565 5.267 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 609438708 UGFPAKBWOXIWFA-GJZGRUSLSA-N 449.498 5.258 30 20 IKED Cc1ccccc1[C@H](NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@@H]1CCC[C@@H](C)C1 609599320 OWBMTXNSAITIDO-KCVHQNEMSA-N 445.611 5.097 30 20 IKED C[C@](C#N)(NC(=O)c1ccc(COc2cccc(Br)c2)o1)C1CCCCC1 609639032 POYDHVKRHKAKMS-OAQYLSRUSA-N 431.330 5.213 30 20 IKED COc1cc(CSc2ncn(-c3ccccc3)n2)ccc1OCc1cccc(C#N)c1 609721911 AIRKHQRSNQLDGR-UHFFFAOYSA-N 428.517 5.019 30 20 IKED COc1ccccc1NC(=O)CSCc1ccc(OCc2cccc(C#N)c2)c(OC)c1 609741140 NSTPYYKSFQPTIM-UHFFFAOYSA-N 448.544 5.026 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCc2ccc(F)c(F)c2F)cc1 612302471 FMTNVUFHGOTDNI-UHFFFAOYSA-N 439.437 5.113 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)N1CCC[C@@](C)(C#N)C1 612312940 SPZVZEIWGKIPOM-VWLOTQADSA-N 433.531 5.889 30 20 IKED C[C@H](NC(=O)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1)c1ccc(C#N)cc1 612462137 DKZKNYPULMPHAR-SJCJKPOMSA-N 440.263 5.375 30 20 IKED C=CCn1c(C)cc(C(=O)Cc2nc(O)c3c(-c4ccccc4Cl)csc3n2)c1C 614105849 NRWGSLPJHOVSAI-UHFFFAOYSA-N 437.952 5.747 30 20 IKED CCc1ccc([C@@H](NCc2ccc(C#N)c(Cl)c2)c2cccc(S(C)(=O)=O)c2)cc1 619755409 IIQXLVNVUDIUOY-XMMPIXPASA-N 438.980 5.057 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1OCC 642282655 QETZKXCTKCACNR-CQSZACIVSA-N 447.869 5.762 30 20 IKED C=CCN(C(=O)CCCc1nnc(-c2ccccc2)o1)c1nc(-c2ccccc2)cs1 642361115 NMWOTYNGWCUTEU-UHFFFAOYSA-N 430.533 5.402 30 20 IKED C=C(C)Cn1c(CCc2ccccc2)nnc1N1CCC(n2c(C)nc3ccccc32)CC1 642710014 FJNYBDOPVRRJLO-UHFFFAOYSA-N 440.595 5.139 30 20 IKED Cn1c(C(F)F)nc2cc(C(=O)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)ccc21 684891525 FKKNFFVBMOWENU-UWVGGRQHSA-N 443.338 5.150 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(SC(F)F)c2)cc1 727412863 RJRWLRKRFBSHFW-UHFFFAOYSA-N 426.513 6.418 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1OCC#N 727790349 DBQBFQIECCDOTQ-UHFFFAOYSA-N 435.402 5.207 30 20 IKED CC(=NOCC(=O)Nc1ccccc1C(F)(F)F)c1ccc(-c2ccc(F)cc2)s1 732193757 JEUYKJCFSKIUBC-UHFFFAOYSA-N 436.430 5.952 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)cc1 733033134 DDQBATOSDORZGO-RUZDIDTESA-N 447.485 5.979 30 20 IKED FC(F)(F)c1cc(NN=Cc2csc(-c3ccsc3)n2)nc(-c2ccccn2)n1 733080012 PGLWSLRFAHLUAP-UHFFFAOYSA-N 432.456 5.188 30 20 IKED CC(C)n1c(SCc2cc(Cl)ccc2OCC#N)nc2cc(Cl)ccc2c1=O 735230408 AYFJFCQWPSIEIC-UHFFFAOYSA-N 434.348 5.479 30 20 IKED C[C@@](O)(CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccsc1 741060329 CGCHAFRBEHVMIP-SIKLNZKXSA-N 425.941 5.086 30 20 IKED O=C(/C=C/c1cc(C(F)(F)F)ccc1F)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741844821 VUNMKRIHRQGJMJ-FPYGCLRLSA-N 440.336 5.077 30 20 IKED CCCN(CC)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 744028450 KSBAVUQSMVDQAQ-QHCPKHFHSA-N 441.531 5.676 30 20 IKED C#Cc1cccc(NC(=S)Nc2ccc(Oc3ccccc3S(=O)(=O)CC)cc2)c1 745175652 KVNUQYSYZORFGL-UHFFFAOYSA-N 436.558 5.063 30 20 IKED CC(=O)CCc1ccc(OCCC(=O)N2CCSC2=Nc2cccc(Cl)c2C)cc1 746763561 XPVTYVRAYOVSTD-UHFFFAOYSA-N 444.984 5.202 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCCCC[C@@H]3C[C@@H](O)c3ccccc3)o2)cc1 752109583 BJPBPBYOGKXSGR-RCZVLFRGSA-N 444.531 5.239 30 20 IKED C/C(=C/c1ccccc1Cl)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 756516860 XIHUYPAQWKYJGC-HQSFBDMMSA-N 430.891 5.883 30 20 IKED C/C(=C/c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 758874371 WZXONAPWICXMDB-KGAUPUERSA-N 428.941 5.319 30 20 IKED CC1(C)C(=O)Nc2ccc(C(=O)/C=C/c3cccc(NC(=O)c4ccccc4Cl)c3)cc21 759121522 PMZJYDKZWLTQSG-JLHYYAGUSA-N 444.918 5.718 30 20 IKED CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)C1 759220198 BZJZAPOHOOJLSA-HIFRSBDPSA-N 433.961 5.163 30 20 IKED C[C@H](C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccc(Br)s1 764750323 FHFDGBHSRFFQLB-YFKPBYRVSA-N 449.157 5.328 30 20 IKED O=c1c2cc(Br)ccc2ncn1N=Cc1c2ccccc2cc2ccccc12 767302431 RFAXFKBNKHZNFZ-UHFFFAOYSA-N 428.289 5.348 30 20 IKED CC(=NNc1c(Cl)cc(F)cc1Cl)c1ccc(S(=O)(=O)CC(F)F)cc1 767909895 PGOCUTUUDAUPEG-UHFFFAOYSA-N 425.259 5.007 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(C=NNc2c(Cl)cc(F)cc2Cl)cs1 767909932 AZMSGPDYSILMSA-UHFFFAOYSA-N 441.290 5.859 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)OC[C@@H](C#N)Cc4cccs4)cc3)o2)c1 772744121 ZGVIPMNPJJOGIH-QGZVFWFLSA-N 429.501 5.313 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSC1CCN(C(=O)OC(C)(C)C)CC1 778773281 LUQSNICTTLQQAY-INIZCTEOSA-N 449.642 5.010 30 20 IKED C=CCC[C@H](NC(=O)NCc1ccc(N2CCOC2=O)cc1)c1ccc(C(F)(F)F)cc1 783010994 IQQXOIFQKFOGBR-FQEVSTJZSA-N 447.457 5.169 30 20 IKED N#C[C@@H]1C(CN2CCCCC[C@@H]2/C=C/c2cccs2)=CC(=O)n2c1nc1ccccc12 783030396 IIKGELJNQXSAPG-FIUOBNDQSA-N 428.561 5.243 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)cc1 786928920 HARYDRDAMZAHHA-VGOFRKELSA-N 449.551 5.186 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N(Cc1cccc(Br)c1)CC1CC1 789181466 JIOZAHVBRQKOGJ-OAHLLOKOSA-N 428.330 5.184 30 20 IKED CC[C@@H](C#N)Oc1cc(CNCc2cnc(-c3ccc(Cl)cc3)s2)ccc1OC 790544722 QDTYWXSFMDTRHG-SFHVURJKSA-N 427.957 5.443 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/COc3cc(F)ccc3C2=O)cs1 794727258 GUPCDHNBLYUWDD-JYRVWZFOSA-N 428.872 5.279 30 20 IKED N#CC(CCOC(=O)c1nc(Br)ccc1F)(c1ccccc1)c1ccccc1 795847618 GIUAWNPEIQQKNC-UHFFFAOYSA-N 439.284 5.040 30 20 IKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2cc(Cl)ccc2Cl)ccc1Cl 801101774 NERWANLHKCYRBI-UHFFFAOYSA-N 425.699 5.059 30 20 IKED CC(C)(C)OC(=O)N1CCC(Cc2ccccc2C(=O)Nc2cccc(OCC#N)c2)CC1 808270799 DDJXNZUPUGMTPL-UHFFFAOYSA-N 449.551 5.031 30 20 IKED N#C[C@H](C(=O)CCc1cc(C(F)(F)F)ccc1Br)c1cnc2ccccc2n1 816045627 RJGMQUOAAFOIDG-AWEZNQCLSA-N 448.242 5.220 30 20 IKED Cc1csc(SCc2ccccc2C(=O)Nc2sc3c(c2C#N)CCCC3)n1 863967181 LCIJXCMFJTXKCU-UHFFFAOYSA-N 425.604 5.808 30 20 IKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1C 916215590 IZAIXEFMILCVGA-SFHVURJKSA-N 449.498 5.384 30 20 IKED Cc1ccc(SCc2cccc(C(=O)[C@H](C#N)C(=O)NCc3ccccc3)c2)c(C)c1 916887657 RPTUNDIDNBKPSO-QHCPKHFHSA-N 428.557 5.235 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)cc1Cl 916941141 PIUVEGURIPLFFP-GOSISDBHSA-N 435.911 5.060 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(s2)-c2ccccc2OC3)cc1 916947320 HKFDWVUQSNMEQK-FOIQADDNSA-N 430.529 5.782 30 20 IKED N#C[C@@H](C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1nc2cc(Cl)ccc2s1 917043471 IUTDYKLQYIVIQH-GTNSWQLSSA-N 448.356 5.282 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)c([N+](=O)[O-])cc1OC 917603911 BXNQKNVLHACLCL-FPLPWBNLSA-N 440.433 5.145 30 20 IKED Fc1ccccc1-c1nnc(S)n1N=Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 918710000 BJJRHVDLDHWBEY-UHFFFAOYSA-N 449.458 5.397 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)cc1 921235481 CYHFQINZPOSWGD-DFBJGRDBSA-N 444.966 5.643 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(Cl)c3C)cc2)CCC1 1785950733 AEQZPOGOSUJFJR-QGZVFWFLSA-N 441.959 5.197 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@@H]4C4CC4)cc3)CCC2)c1Cl 1786056677 VYEVQZFVXOEIAZ-NHCUHLMSSA-N 433.939 5.005 30 20 IKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccoc3C(F)(F)F)CCC2)cc1 1786392172 YIYIVBOMNWZEDN-INIZCTEOSA-N 440.487 5.001 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3nc(C)sc3C)CCC2)cc1 1789453231 PRFHGBWQBDXCJX-OAQYLSRUSA-N 437.609 5.205 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@@H]4c4ccccc4)CCC3)cc2)cc1 1790708723 PKEVIHUNUZJMOW-FTJBHMTQSA-N 449.554 5.304 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cccc(OC)c34)cc2)CCC1 1790920657 WNGXCQUXCKLZJO-KRWDZBQOSA-N 431.536 5.136 30 20 IKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2C2CC2)[C@@H]1c1cccnc1 1803088389 AJZYGHRDJNNZQN-ZEQKJWHPSA-N 443.591 5.047 30 20 IKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(Cc3ccc(F)cc3)c2)n[nH]1 1821008265 ZBKVFIRSEWBEPU-QHCPKHFHSA-N 446.526 5.022 30 20 IKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCCC(C)(C)C)CC1 1824511748 QKXIWFJOQQHEPQ-FYYLOGMGSA-N 434.665 5.194 30 20 IKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccccc23)CC1 1828006018 JWJMPRDSJWEYMQ-ZEQRLZLVSA-N 438.637 5.028 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cccc(O)c2)CC1 1829071124 PCDBZCGYDKYDOL-LCJITAHGSA-N 438.612 5.018 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2c(ccc3ncccc32)s1 1847264224 IQRLHPQKVPLBIS-SFTDATJTSA-N 447.604 5.257 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccccc1Oc1ccccc1 1847264328 IOZYRYBHVPESKR-GOTSBHOMSA-N 432.564 5.287 30 20 IKED C=CCn1c(S[C@H](C)C(=O)NCc2cccs2)nnc1-c1ccc(C(C)(C)C)cc1 16866228 CSLSGCMRYZOOSY-MRXNPFEDSA-N 440.638 5.287 30 20 IKED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 23603143 VMNDLZNRLXJJQP-GOSISDBHSA-N 438.572 5.038 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1Cl 46861579 HHDGZZKGUVPGMZ-QFIPXVFZSA-N 443.959 6.300 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccccc2OC)c(F)c1 58433068 JQKPCZBYAZDYQR-UHFFFAOYSA-N 449.482 5.179 30 20 IKED C=CCn1c(S[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)nc2sccc2c1=O 59410163 PSHQSNDZHHLFNR-INIZCTEOSA-N 447.585 5.750 30 20 IKED C=CCn1c(SCc2cccc(C(N)=O)c2)nc2scc(-c3ccc(C)cc3)c2c1=O 106064860 POQWNMSWGOTDMB-UHFFFAOYSA-N 447.585 5.011 30 20 IKED N#Cc1ccccc1COc1cccc(CNCc2cccc(NC(=O)c3ccncc3)c2)c1 238141977 DCCODGAFJZDJAO-UHFFFAOYSA-N 448.526 5.074 30 20 IKED COc1ccccc1-c1csc(C2CCN(c3c(C#N)cnc4ccccc34)CC2)n1 302760162 XXPDOGXHXXAXSX-UHFFFAOYSA-N 426.545 5.623 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cccc(C(F)(F)F)c1 303215872 SQJWLWVOGDYWDJ-UHFFFAOYSA-N 439.437 5.786 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)cc1 303316268 QDCIEHVODAJFRL-GOSISDBHSA-N 446.576 5.507 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(-c2ccccc2Cl)c1C 303465652 PGHKZLQZMGTGTI-UHFFFAOYSA-N 443.894 5.454 30 20 IKED O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 303678258 LQYFWNZLJUVLMX-MRXNPFEDSA-N 434.355 5.322 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 409861095 IOXOHBOYVJIFSD-UHFFFAOYSA-N 433.455 5.545 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC(c4ncccc4Cl)CC3)cc2)cc1 428426145 YUBPROOBUPWIML-UHFFFAOYSA-N 431.923 5.613 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc3c(cc2Cl)CCC3=O)cc1C 429493357 QMBDNQGUTTVIKR-UHFFFAOYSA-N 432.911 5.115 30 20 IKED N#CCSc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)c1 429931547 YEPKEJPKEOLIDG-UHFFFAOYSA-N 445.422 5.419 30 20 IKED CN(C)Cc1ccc(-c2ccccc2CNC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 431779810 VNXCRWKTEGBOKA-MHZLTWQESA-N 440.591 5.650 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN[C@H](CCCC#N)c2ccccc2)cs1 433021616 RMWCZNGZCRJUPB-XMMPIXPASA-N 432.593 5.969 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1cccc(OCc2ccccc2)c1 433943702 VIIAGYBTNQLOTA-OAQYLSRUSA-N 443.547 5.056 30 20 IKED C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc(Cc2ccc(Cl)cc2)no1 439579091 YRJPIYZHBKAUQH-MRXNPFEDSA-N 430.895 6.151 30 20 IKED Cc1sc2nc([C@@H](C)Nc3ccc(Oc4ccccc4C#N)c(F)c3)nc(O)c2c1C 439655762 ZQQOYOOIUGQWQX-CYBMUJFWSA-N 434.496 5.990 30 20 IKED Cc1cccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)c1C#N 442846223 VWRSHUXONZHJLY-FQEVSTJZSA-N 435.549 5.171 30 20 IKED N#C[C@@H](NC(=O)CCC(=O)c1csc2ccccc12)c1ccc(Br)cc1 445687997 BHOSAQYFWNMNDF-QGZVFWFLSA-N 427.323 5.008 30 20 IKED N#Cc1ccc(Oc2ccc(N3C(=O)CN(CCc4ccccc4)C3=O)cc2Cl)cc1 445979691 AXGBPWKDEOFQLB-UHFFFAOYSA-N 431.879 5.015 30 20 IKED N#C[C@@H]1N(Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)CCC[C@]12CCCCO2 447900164 AFJPLIYKHKIHEX-UKILVPOCSA-N 434.971 5.165 30 20 IKED Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@H](C)CO1 460403808 JQOLLCKTUFJUPJ-IBVKSMDESA-N 426.516 5.048 30 20 IKED C=CCN(Cc1cccs1)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCOC1 461595515 FRUKBGWENDWIFO-IBGZPJMESA-N 445.592 5.092 30 20 IKED N#Cc1cccc(-c2nnc(N3CCC[C@H]3c3cccc(Cl)c3)n2C[C@H]2CCCCO2)c1 461825784 GJWXNONESFEOHX-PKTZIBPZSA-N 447.970 5.381 30 20 IKED C[C@H](C(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C)c1cccc(C#N)c1 462143458 VSJZOYMTTINBAY-LBPRGKRZSA-N 432.833 5.373 30 20 IKED C=CCn1c(S[C@H](C(=O)OC)c2ccc(Cl)cc2Cl)nnc1-c1ccoc1C 463037231 LVGLLVPHJFVSDI-INIZCTEOSA-N 438.336 5.346 30 20 IKED N#C[C@H](C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1cc(C(F)(F)F)ccn1 464421159 SMNAHXXVXFWWRP-KRWDZBQOSA-N 440.381 5.111 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccccc2)c2nc[nH]n2)cc1Cl 467160870 MNMRFVNUINVVAE-IFMALSPDSA-N 442.910 5.025 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@@H]3CCc4c(F)cc(Br)cc43)ccc21 468959145 KPMSNUZLBMSIGC-HXUWFJFHSA-N 442.332 5.271 30 20 IKED Cc1c([C@@H](C)NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)oc2ccccc12 470536693 DTVFNHRSHFGFHG-QGZVFWFLSA-N 430.508 5.207 30 20 IKED CC(C)c1oc([C@H]2CCCN2S(=O)(=O)Cc2cccc(C#N)c2)nc1-c1ccccc1 470769401 NDVMADBHTLYXNN-OAQYLSRUSA-N 435.549 5.004 30 20 IKED N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)cc1 472204640 HHNMWXKEBOHTHY-KRWDZBQOSA-N 435.409 5.037 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 474278393 WTLMTRGZOPTQGV-SJKOYZFVSA-N 430.348 5.154 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CC1(CC(=O)Nc2nccs2)CCCCC1 476799329 BZVKCJJQRLHBMR-UHFFFAOYSA-N 439.625 6.303 30 20 IKED C=C(C)[C@H](NC(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1)c1ccc(F)c(F)c1 480599766 FTCTZJJVWMBZRL-FWUCURJTSA-N 440.515 5.712 30 20 IKED Cc1cc(NC(=O)c2cc(Cl)cc(Cl)c2OCc2ccccc2)nn1CCC#N 480713363 XHATXPQFFLTMPP-UHFFFAOYSA-N 429.307 5.243 30 20 IKED C=C(C)Cn1c(S[C@H](C)C(=O)N[C@H](CCC)c2ccccc2)nnc1-c1ccncc1 481357436 HEOUJSQCRQHQJO-WIYYLYMNSA-N 435.597 5.054 30 20 IKED Cc1cccc(C(=O)N2CCCC2)c1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 481760426 JMXAWHBUQIUEAQ-UHFFFAOYSA-N 441.556 5.506 30 20 IKED C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 483467197 HQAPHMXHIFQDDA-IBGZPJMESA-N 439.515 5.617 30 20 IKED CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)CSc1ccc(C#N)cc1 483581309 SHKHMERTAHBOIB-UHFFFAOYSA-N 437.540 5.316 30 20 IKED N#CCCC[C@@H](NC(=O)c1ccc(-n2ncc3ccccc32)cc1Cl)c1ccccc1 487623655 BZRBLRUADGEMRV-HSZRJFAPSA-N 428.923 5.844 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)NC34CCC(C(F)(F)F)(CC3)CC4)ccc21 488713157 LKPUURFOXBPXGI-UHFFFAOYSA-N 448.489 5.046 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3c(C)cccc3C(C)C)o2)cc1 489749054 WABXTEPYMGKZFR-KRWDZBQOSA-N 437.565 5.853 30 20 IKED N#Cc1cccc(-c2cnc(CNC(=O)c3ccc(-c4nc5ccccc5s4)s3)[nH]2)c1 491920451 IHPAFQAGIWPIDK-UHFFFAOYSA-N 441.541 5.217 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCc1cc(C#N)ccc1Br 492871385 IZUMRFCUBVWKKF-GFCCVEGCSA-N 430.346 5.743 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2cc(Cl)ccc2Cl)cc1 498375165 MMBUYCKQNCNPOU-UHFFFAOYSA-N 425.315 5.820 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)cc1 499455805 MKBGAYJVXTYCLT-ZWKOTPCHSA-N 437.259 5.015 30 20 IKED N#C[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1ccc(Cl)cc1 499812301 MLADHJUMHNCOTN-QGZVFWFLSA-N 436.751 5.694 30 20 IKED N#C[C@@H](NC(=O)c1ccc([C@H]2CCCOC2)cc1)c1ccc(OCc2ccccc2)cc1 504539261 PWELQWQTQVVISL-AZGAKELHSA-N 426.516 5.154 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)n1 504633882 BWYLDCGQSTTWBI-NHCUHLMSSA-N 429.911 5.250 30 20 IKED Cc1nc(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)sc1SCC#N 504830606 HVJUJGNZBIWLPI-UHFFFAOYSA-N 427.001 5.087 30 20 IKED N#C[C@H](C(=O)Nc1ncc(-c2ccccc2)s1)c1nc(-c2c(F)cccc2F)cs1 505437760 HDNUEOXRKFUIAB-CYBMUJFWSA-N 438.484 5.458 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 505923104 PWCBACTVZMZKQO-FQEVSTJZSA-N 446.860 5.085 30 20 IKED C[C@@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1ccc(Oc2ccccc2)cc1 506255998 VNYCRHMJRHHVST-LJQANCHMSA-N 448.544 5.047 30 20 IKED C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(OC2CCC(C)CC2)CC1 508798395 SHEPCZRXPCOAKD-UHFFFAOYSA-N 433.600 5.031 30 20 IKED Fc1cccc(F)c1-c1nc(CN[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)co1 510478669 IAJKPJYMMOLDDS-INIZCTEOSA-N 434.311 5.614 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cnn(Cc2ccccc2)c1 510887669 PPHNXWKVSSMOHZ-UHFFFAOYSA-N 437.503 5.226 30 20 IKED CC(C)(C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1cc(F)cc(C#N)c1 512983995 ZONMEORLJXIFPH-HKBQPEDESA-N 434.536 5.063 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)C[C@H]1OCCc2ccccc21 513876088 IXQMYLTUQYSTBT-RUZDIDTESA-N 427.504 5.437 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3sc4c(c3C#N)CCCCC4)cc(-c3ccco3)nc21 514767253 XWNIGPAWIDLQFY-UHFFFAOYSA-N 445.548 5.727 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3cccc(CN4CCCC4)c3)cc2)c1 517530231 LRDPLZORDPSUIZ-UHFFFAOYSA-N 426.520 5.268 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@@H](c3ccc(F)cc3)[C@H]3CCCO3)cc2)cc1 518885499 UJRODKWYJDZLPR-RPBOFIJWSA-N 430.479 5.334 30 20 IKED C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 520600593 GINJAWDZFOELOA-GOSISDBHSA-N 438.491 5.156 30 20 IKED COc1ccc(OC)c(CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C2CC2)c1 521366068 GSDJIMUVRKVDCF-UHFFFAOYSA-N 443.503 5.564 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 521810810 FRTAFEDXFVKRBH-AUSIDOKSSA-N 427.573 6.260 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1csc(Cc2ccccc2F)n1 522742353 OFWDVIUEMOUMLR-UHFFFAOYSA-N 444.491 5.493 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H](c3ccccc3OC)C2)cc1 523423879 PBEZMBINJFVDOG-IBGZPJMESA-N 443.503 5.389 30 20 IKED CC(C)c1c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cnn1-c1ccccn1 525223932 SAVOPATVOIUGRO-UHFFFAOYSA-N 441.466 5.446 30 20 IKED Cn1ccnc1[C@@H](NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 532501905 NWBSDNLKRBCRHN-KRWDZBQOSA-N 431.355 5.476 30 20 IKED Cc1ccc(-c2ncco2)cc1NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 534773758 KXHCZYPTOMKAPZ-UHFFFAOYSA-N 438.487 5.939 30 20 IKED C[C@H](CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc(-c2ccccc2)no1 535560958 VEEAYIDQSSNBGB-GOSISDBHSA-N 438.487 5.128 30 20 IKED CC[C@@H](NC(=O)c1cc(OC(F)F)cc(OC(F)F)c1)c1nc(C(F)(F)F)cs1 537201095 QSWQIDXLQRBZGN-SNVBAGLBSA-N 446.344 5.246 30 20 IKED CC(C)N(Cc1ccc(NC(=O)N(C)Cc2ccc(C#N)cc2)cc1)C[C@@H]1CCCCO1 541961688 CCXQXDVUTGZHFB-VWLOTQADSA-N 434.584 5.002 30 20 IKED C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 543564090 RNGLFXMGIVELDX-CLOONOSVSA-N 426.520 5.342 30 20 IKED CC(C)Cn1ncnc1CN[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 543980468 STEWZRNYNJJTMC-CQSZACIVSA-N 448.333 5.365 30 20 IKED N#CCCn1cc(/C=C/c2nc(-c3ccc(OC4CCOCC4)cc3)no2)c2ccccc21 545790897 UVCLZEOSDRLVMC-DHZHZOJOSA-N 440.503 5.333 30 20 IKED CN(C)C(=O)c1cccc(-c2noc(-c3cccc(Oc4ccc(Cl)cc4C#N)c3)n2)c1 546281144 OVYRRFNUCCCZIC-UHFFFAOYSA-N 444.878 5.423 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCNC(=O)[C@@H]2CC=CCC2)cc1Cl 546673017 YJTDLFZBGLECQR-DENIHFKCSA-N 435.955 5.187 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)NCC#Cc2cccc(F)c2)nc1-c1ccccc1 549205237 UXVUYBOKNCPTBL-QFIPXVFZSA-N 431.511 5.502 30 20 IKED Cc1ccc([C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)c2cccc(S(C)(=O)=O)c2)c(C)c1 552922699 OTTITDOIPIHIMQ-SXOMAYOGSA-N 444.600 5.335 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)Nc2cccc(CSC3CCCCC3)c2)CC1 554578236 PMDVJAMKXIGDLB-UHFFFAOYSA-N 434.609 5.737 30 20 IKED CCCC[C@H](CC)COCc1cccc(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)c1 558619656 CVOWFNXPQIHGFE-QFIPXVFZSA-N 448.611 5.904 30 20 IKED C=CCN(C(=O)c1csc(-c2ccc3c(c2)OCO3)n1)c1nc(-c2ccccc2)cs1 558873020 LFNOIUKALGPGJO-UHFFFAOYSA-N 447.541 5.495 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCCN(c4ccccc4F)CC3)cc2)cc1 560787429 CUKRRTFHOVEGTN-UHFFFAOYSA-N 429.495 5.037 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N(Cc3cccs3)C[C@@H]3CCCO3)cc2)ccn1 565110046 WUCBYAICMGUZOB-NRFANRHFSA-N 434.521 5.020 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccccc3-c3ncc4n3CCCC4)c2)c1 571124390 WHHGUBCFLROGTP-UHFFFAOYSA-N 448.526 5.589 30 20 IKED COc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(C)c1OC 583432116 FMENZNQSVRBENM-UHFFFAOYSA-N 436.895 5.369 30 20 IKED C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC(c2ncccc2Cl)CC1 584423276 BKBVNAPVBIIQIX-UHFFFAOYSA-N 425.939 5.017 30 20 IKED CC1(C(=O)N2CCS[C@@H](c3ccccc3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 587528708 FPOOLRWTDVGPIU-JOCHJYFZSA-N 440.012 5.135 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)Cc2csc(-c3cc(Br)cs3)n2)cc1 603941129 OOOXKDRHLNCNIO-UHFFFAOYSA-N 446.395 5.616 30 20 IKED CSCc1c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)oc2ccccc12 603995875 QSDMMBWCQDXIRG-UHFFFAOYSA-N 441.512 5.672 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)c2cc3ccccc3n2CC#N)c(C(F)(F)F)c1 609216125 BMIPITPPTFPWOU-AWEZNQCLSA-N 431.483 6.327 30 20 IKED COc1cc(CSCC(=O)c2cc(C)n(C)c2C)ccc1OCc1cccc(C#N)c1 609741218 WKKHOIVQOHOVAF-UHFFFAOYSA-N 434.561 5.217 30 20 IKED COc1ccc(Cl)cc1-c1cc(NC(=O)c2ccccc2-c2ccccc2C#N)n[nH]1 609771607 QVIQFHPZEKAEQS-UHFFFAOYSA-N 428.879 5.530 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(O)nc3cc(F)ccc23)cc1Cl 610040460 SQNVIPXQHWQKID-HXUWFJFHSA-N 431.854 5.641 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CSc2cccc(C(F)(F)F)c2)c1C 610053717 RVZZJNYIOPVJAF-UHFFFAOYSA-N 430.455 5.110 30 20 IKED CC(=O)N1CCCCC[C@@H]1C1CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 611271490 FNLPCPGWDMFECS-MUUNZHRXSA-N 445.607 5.140 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)cc12 613290499 DWIGFPNATMUZQP-LJQANCHMSA-N 442.931 6.087 30 20 IKED C=CCn1c(SCC(=O)N[C@H](c2cccs2)C2CC2)nnc1-c1ccc(Cl)cc1 617895264 JJQWYFHYZLEXAJ-IBGZPJMESA-N 445.013 5.206 30 20 IKED O=C(Nc1ccccc1OCC(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618540025 NXHDDPBQDQUIQD-AOOOYVTPSA-N 438.290 5.222 30 20 IKED N#Cc1ccc(CNC(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc1Cl 619788666 KBGRRMYEPNDIKP-UHFFFAOYSA-N 439.302 5.439 30 20 IKED Cc1cc(NC(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)nn1CC(F)(F)F 622721924 MFEIZXJZMCPVNG-UHFFFAOYSA-N 445.338 5.831 30 20 IKED CC(C)Cn1ncc2cc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cnc21 623173833 BCGIODRCOPNODO-OAHLLOKOSA-N 443.454 5.206 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cnc2c(F)ccc(F)c2c1 645071189 JCBUOESBECWWKG-NXEZZACHSA-N 426.307 5.152 30 20 IKED C#Cc1cccc(NC(=S)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 726449311 OVXCPTKVWMQZJA-UHFFFAOYSA-N 426.520 5.146 30 20 IKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccccc2)cc1 726572099 RKCKJRPZUDSWHA-UHFFFAOYSA-O 434.972 5.775 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)cc1Cl 726626201 AWYPEMJDTIAAGE-VIZOYTHASA-N 435.755 5.380 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C\c3csc(Br)c3)SC2=S)cc1Cl 726626499 HOSXEEJBFAUKNG-KGVSQERTSA-N 441.784 5.441 30 20 IKED C=C(C)COc1cc(/C=C2/SC(=S)N([C@H](C)c3cccs3)C2=O)ccc1OC 726631044 ZQJCXSFLBLACMM-HIPSJFSSSA-N 431.604 5.674 30 20 IKED N#CCCCOc1cccc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)c1 726802293 ZWNDEHNPKHLOEG-ODLFYWEKSA-N 439.949 5.300 30 20 IKED Cc1ccccc1C1(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1 727038007 BWTZBHGLDWQQGC-MRXNPFEDSA-N 427.356 6.333 30 20 IKED N#CCOc1ccc(CNC(=O)N[C@H](c2ccc3c(c2)CCCC3)c2cccs2)cc1 727938259 JGUBRILKUIQXBL-XMMPIXPASA-N 431.561 5.118 30 20 IKED N#CCCN(CC1CC1)Cn1nc(SCc2cccc3ccccc23)sc1=S 728904665 RSLWYJHWLGSXTM-UHFFFAOYSA-N 426.636 5.703 30 20 IKED C=CCNC(=S)/C(=C(/O)c1ccc(OCc2ccccc2)cc1)[n+]1ccc(CC)cc1 730438644 YXCIPVMWFMWFEX-UHFFFAOYSA-O 431.581 5.102 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(C3CCC3)C2=O)c1 730461361 NBYRQZZQLBWOKM-HXUWFJFHSA-N 441.984 5.470 30 20 IKED O=C1/C(=C/c2coc(-c3ccccc3)n2)CSC/C1=C\c1coc(-c2ccccc2)n1 731835847 SQKSWFSEZJILTK-AYKLPDECSA-N 426.497 5.780 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1 733775061 PQMBEKXMJQLUTA-OAHLLOKOSA-N 427.863 5.054 30 20 IKED N#CCCn1cc(C2=NNC(=Nc3ccc(Cl)c(Cl)c3)SC2)c2ccccc21 733807495 XDVBATCYDYFANP-UHFFFAOYSA-N 428.348 5.590 30 20 IKED CC(C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccc(COc2ccccc2C#N)c1 734199599 KDXZNXVRXABLQR-LJQANCHMSA-N 442.515 5.445 30 20 IKED N#C[C@H](C(=O)CCc1nc(-c2ccoc2)no1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 740534079 CGXKDXFPNYIPSL-QQYMGJJXSA-N 448.548 5.063 30 20 IKED FC(F)(F)COc1ccccc1C=Nn1cnnc1SCc1ccc(Cl)cc1 741755941 FIACYABSXWHNSW-UHFFFAOYSA-N 426.851 5.047 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1NC(=O)OC(C)(C)C 744036754 HZICZVCGSMDQOZ-SFHVURJKSA-N 433.533 5.956 30 20 IKED C[C@H](ON=Cc1ccccc1C(F)(F)F)c1nc(-c2cccc(C(F)(F)F)c2)no1 744443202 IDRAHPGFSXUYJC-NSHDSACASA-N 429.320 5.886 30 20 IKED CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1occc1COc1cccc(C#N)c1 744926233 ARYXPUUREVUAJI-QZTJIDSGSA-N 446.503 5.428 30 20 IKED CCOc1c(Cl)cc(/C=C(/C(=O)Nc2cccnc2)C(=O)c2ccccc2)cc1OC 747127696 HBIWNZDUYWUGOC-XDHOZWIPSA-N 436.895 5.047 30 20 IKED O=C(/C=C/c1csc(COc2ccc(Cl)cc2)n1)c1ccc(N2CCOC2=O)cc1 748583990 KZTBUCMKXLYDEH-BJMVGYQFSA-N 440.908 5.228 30 20 IKED C[C@H](C[C@H](O)c1cccs1)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 752189295 QPPQMMMQPQCYLG-VGSWGCGISA-N 435.549 5.027 30 20 IKED Cc1cc2nc(-c3ccc(CNC(=O)c4ccccc4SCC#N)cc3)[nH]c2cc1C 754396593 NEWDWODKZSUYNM-UHFFFAOYSA-N 426.545 5.392 30 20 IKED N#CCSc1ccccc1C(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 755529718 SQMOKAKKSVMODX-UHFFFAOYSA-N 447.745 5.361 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1ccccc1NC(=O)OC(C)(C)C 755881221 GXWQVPJOSSSZMA-INIZCTEOSA-N 425.554 5.609 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC(OCCCOc3ccccc3)C2)cc1 764051461 KSLFENZEJRFXSR-SANMLTNESA-N 441.531 5.044 30 20 IKED CCn1c(NC(=O)c2ccccc2CSc2nc(C)cs2)nc2cc(C#N)ccc21 764516668 YGCMHAUROAUJLL-UHFFFAOYSA-N 433.562 5.237 30 20 IKED CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 764563181 UUBHYJWRPAGAAQ-GJZGRUSLSA-N 445.972 5.163 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SC[C@H](O)c1ccc(C(F)(F)F)cc1 764680529 DNFHDPTXWZEFSG-IBGZPJMESA-N 449.498 5.196 30 20 IKED COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1ccc(O[C@@H](C)C#N)cc1)CC2 768180934 RJSCSEMHLFAASN-UZTOHYMASA-N 428.532 5.142 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CCC(=Cc3ccc(F)c(F)c3)CC2)c1=S 768907217 MUUKPCWUQHMPKO-UHFFFAOYSA-N 439.535 5.077 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3NC(=O)OC(C)(C)C)n2)cc1 774061444 DRIAYFIBOMFPOL-SFHVURJKSA-N 449.532 5.656 30 20 IKED N#C[C@H](C(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1)c1ccc2ccccc2n1 780302608 PUJQHSJZBCQVNG-DHLKQENFSA-N 435.483 5.079 30 20 IKED COc1ccc2cc(-c3nn(-c4ccccc4)cc3CNCc3ccc(C#N)cn3)ccc2c1 780557575 ZIOAQPXWBQXFHB-UHFFFAOYSA-N 445.526 5.258 30 20 IKED Cc1sc([C@@H](C)NC(=O)Nc2ccccc2O[C@H](C)C#N)nc1-c1ccc(Cl)cc1 780666960 DHRVHXOPTPCEGF-ZIAGYGMSSA-N 440.956 5.946 30 20 IKED COC(=O)C1C/C(=C/c2ccc3cnccc3c2)C(=O)/C(=C/c2ccc3cnccc3c2)C1 782355608 UMYNWLQHTSPQOS-UNFIKANMSA-N 434.495 5.402 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=S)Nc2ccc(Br)cc2)cc1 783726832 JUYGDLYHCNGBJC-UHFFFAOYSA-N 428.277 5.082 30 20 IKED C=CCCN(C)Cn1nc(-c2cc(OC)c(OC)c(OC)c2)n(C2CCCCC2)c1=S 786101741 PAIZUTFJOZMMIQ-UHFFFAOYSA-N 446.617 5.077 30 20 IKED CCC(CC)n1nc(C)cc1C(=O)[C@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 787050508 KZDUZGLDYXYIEJ-GUYCJALGSA-N 435.355 5.059 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 789183266 PCDZFEROZFJTPE-IERDGZPVSA-N 433.487 5.266 30 20 IKED CC(C)(C)n1cc(/C=C2\CCc3nc(-c4ccc(Br)cc4)sc3C2=O)nn1 790220513 XNYHUKSULSBYAW-JLHYYAGUSA-N 443.370 5.132 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCc1ccccc1NC(=O)OC(C)(C)C 790667448 BBXWJSVFXAYAPC-QGZVFWFLSA-N 439.581 5.999 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1)C(=O)N1CCCC1 796632072 RAAQFWUJLWEPEP-ZDUSSCGKSA-N 437.710 5.384 30 20 IKED C[C@@H](NC(=O)Nc1ccc(F)c(N2CCOC2=O)c1)c1ccc(-c2cccc(C#N)c2)cc1 797662369 CQCANNQGMIBMSJ-MRXNPFEDSA-N 444.466 5.204 30 20 IKED C[C@H](Cc1ccc(F)c(Br)c1)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813219068 WHFDJUCNOASWQX-ZWNOBZJWSA-N 429.211 5.057 30 20 IKED COc1ccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1Cc1ccccc1 857763815 VEDXEYOTPICODP-MRXNPFEDSA-N 431.561 5.147 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3csc(COc4ccc(F)cc4)n3)cn2)c1 915175320 XECDLBXKOXLMER-UHFFFAOYSA-N 446.463 5.172 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl 916902333 DWPCJZIYSOQNDU-YFWYWMRJSA-N 448.872 5.844 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)[C@H](C)Sc1cc(Cl)ccc1Cl 916924673 DQPHRYSGKFPOEW-JSGCOSHPSA-N 437.348 5.220 30 20 IKED O=C1/C(=C/c2csc(-c3ccccn3)n2)COc2c(Br)cc(Cl)cc21 920068862 ZTIJUXSQGJSSPQ-BJMVGYQFSA-N 433.714 5.280 30 20 IKED C=CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OC 920138826 KPKUKECOWVWCTN-XGHQVWIYSA-N 446.528 5.282 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ncc(-c4ccccc4F)o3)n2)cc1 920140842 CIRITSIIXGYUDQ-GOSISDBHSA-N 447.491 5.422 30 20 IKED CC(=O)Nc1cc(N=Cc2cc(Br)cc(Br)c2O)ccc1Cl 920387327 KVSWDIMHZBDFKB-UHFFFAOYSA-N 446.526 5.280 30 20 IKED Cc1cc(C)n(-c2ccc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)cc2)n1 920852290 WVRISIWAVMVVCW-UHFFFAOYSA-N 438.535 5.135 30 20 IKED CSc1nc(O)c(C(=O)Nc2cc(Cl)ccc2Oc2cccc(C)c2)cc1C#N 1264208382 BNCYPANVEFVGSL-UHFFFAOYSA-N 425.897 5.387 30 20 IKED CCOc1ccsc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3)CCC2)cc1 1785774409 VGBAMHCNWKXRRD-UHFFFAOYSA-N 445.544 5.080 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c[nH]nc4c3)CCC2)cc1 1785841950 FRRLCKZIEKINES-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4ncncc4c3)cc2)CCC1 1789324280 ZBMNAUINAQPEPN-QHCPKHFHSA-N 440.547 5.146 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(Cl)c3C)CCC2)cc1 1790563525 DXNWAXBOWFNQEQ-KRWDZBQOSA-N 441.959 5.197 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4cc(Cl)ccc34)CCC2)cc1 1791250381 QJWLASMLPBRAGL-HNNXBMFYSA-N 436.943 5.176 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(Br)cc3)cc2)CCC1 1791459174 MBDOKOVWYFMJFJ-VGOFMYFVSA-N 439.353 5.173 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c2ccccc2n2ccsc12 1799130541 FXEYMFGGYAPVAA-REPLKXPHSA-N 449.620 5.398 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc4[nH]c(C)cc4c3)CC2)C1 1805458319 IBTJPZKYTUPHAO-UHFFFAOYSA-N 433.596 5.090 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/C2CCCCC2)[C@@H]1c1cccnc1 1810505041 LNLHVFSNSPLHSL-GPYYXEEUSA-N 437.628 5.216 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cccc(C)c2)n[nH]1 1815562163 HLRXGVLBJLLVIB-JTHBVZDNSA-N 434.584 5.111 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H](C)c2ccccc2)[nH]n1 1819309911 LCRKXTZFICDGFG-KJXAQDMKSA-N 434.584 5.364 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)cc2C)CC1 1824145068 APISMZJPGCZSIU-DEOSSOPVSA-N 426.576 5.136 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2)CC1 1830053820 CCDIVHQKGQFACP-UTKZUKDTSA-N 436.518 5.151 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)cc2F)CC1 1830470633 WLKMVDVMSDCZPY-XUZZJYLKSA-N 426.576 5.136 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)c(C)c2)CC1 1830566735 MFADUXANPHDSNP-ISKFKSNPSA-N 426.576 5.136 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)ccc2C)CC1 1830625598 UAIKZYCXVBBEPI-NOZRDPDXSA-N 438.612 5.005 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3nc(C)sc23)CC1 1831371622 XIIGRMYNUYHIFC-HTAPYJJXSA-N 439.625 5.050 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)cc2OC)CC1 1832528792 CVVMKQSEMFAILQ-QFIPXVFZSA-N 444.591 5.060 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2cccc(O)c2)cc1C 11158737 QQOLGFVMECQKKE-UHFFFAOYSA-O 446.379 5.654 30 20 IKED C=CCn1c(SCc2ccc(C(N)=O)cc2)nc2sc(-c3ccccc3)c(C)c2c1=O 16132351 KYWALIRYZRCVDQ-UHFFFAOYSA-N 447.585 5.011 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2cccc(C)c2C)cc1 22729442 PJQQLWSUCHTGSW-UHFFFAOYSA-O 448.568 5.421 30 20 IKED O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccc(C#Cc2ccccn2)c1 30844962 ZGUBLMQIAMHHKS-UHFFFAOYSA-N 442.906 5.146 30 20 IKED COc1ccc(-c2nc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cs2)cc1 106116255 PVTSJNSLVSEJFT-UHFFFAOYSA-N 442.500 5.438 30 20 IKED C=CCn1c(=O)c2ccccc2n2c(SCc3csc(C4CCCCC4)n3)nnc12 117204036 IHGPHDTXTFZXDG-UHFFFAOYSA-N 437.594 5.027 30 20 IKED CCc1nc([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cs1 303459389 KZUDJXYEMXGFBR-CQSZACIVSA-N 440.956 5.692 30 20 IKED CCc1nc(C)c(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1 428354280 YRJBINWLHFXURF-CQSZACIVSA-N 434.302 5.976 30 20 IKED Cc1nc(CCC(=O)Nc2ccc(C#N)cc2Cl)oc1-c1ccc(Br)cc1 430358663 QBVQPUHSYYDSOG-UHFFFAOYSA-N 444.716 5.509 30 20 IKED CC(C)c1cnc(-c2ccc(NC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc2)o1 432132133 ZMJGQJSCBZCLOL-UHFFFAOYSA-N 430.508 5.412 30 20 IKED CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 432627975 XVHXJIUZFGLEGQ-NRFANRHFSA-N 439.991 5.039 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1 432656608 IZONEPICGLGIHC-HXUWFJFHSA-N 446.473 5.099 30 20 IKED CCc1ccc([C@H]2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)cc1 432915626 FVSPKQBLSYPJBS-DEOSSOPVSA-N 439.559 5.915 30 20 IKED N#CCCC[C@@H](NCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)c1ccccc1 433018126 CSGPVFPPRILOES-CTNGQTDRSA-N 432.549 5.044 30 20 IKED C[C@H](Oc1ccccc1NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)c1ccccc1 437051746 SWZNSLQXPZOCDC-IBGZPJMESA-N 443.503 5.086 30 20 IKED C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 437504932 WGVOQAICAKJUGN-FOIQADDNSA-N 429.451 5.336 30 20 IKED COc1cc([C@@H](C)NC(=O)N[C@@H](CCC#N)c2ccccc2)ccc1OCc1ccccc1 438853419 PBQDAQKYIWYYCY-YKSBVNFPSA-N 443.547 5.679 30 20 IKED COc1ccc2c(c1)CN(C(=O)N[C@@H](CCC#N)c1ccccc1)[C@@H](c1ccccc1)C2 440249649 XLWIXVIIIBGHLI-IZZNHLLZSA-N 425.532 5.549 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccc(NC(C)=O)c(OC)c1)c1ccc(C(F)(F)F)cc1 442228836 KKGHXCLKZHCYPZ-SFHVURJKSA-N 435.446 5.501 30 20 IKED COc1ccc(C2(NC(=O)Nc3ccccc3S[C@H](C)CC#N)CCOCC2)cc1F 444904889 ISFIVJPBMYAMAE-MRXNPFEDSA-N 443.544 5.056 30 20 IKED CC(C)Oc1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 446859416 AWMLZUZLPLOWEU-QFIPXVFZSA-N 447.922 5.360 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2cc(C#N)ccc2Cl)cc1 447142978 UQOZMNQTWZKHSB-MRXNPFEDSA-N 447.922 5.045 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c1C 460370875 RZFREVANMHWWLU-WOJBJXKFSA-N 425.319 5.410 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(CCCO)CC1 460371226 AKDJZAZBERDNOV-FQEVSTJZSA-N 434.584 5.136 30 20 IKED N#Cc1ccc(OCc2nnc(N3CCC[C@@H]3c3ccccc3)n2Cc2cccs2)cc1 461314646 BGBXYOVCVMFAAB-HSZRJFAPSA-N 441.560 5.180 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(F)c(F)c3F)s2)c(C(F)(F)F)c1 465449317 YFFVPJBWPPSAJH-UHFFFAOYSA-N 441.356 5.294 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1 466962819 GENKZMOGDYBKLN-IBGZPJMESA-N 437.503 5.727 30 20 IKED N#CCCCOc1cccc(NCc2cc(Br)cc(Br)c2N)c1 469979469 XDWMTUQZHIGLRE-UHFFFAOYSA-N 439.151 5.088 30 20 IKED C[C@H](CCNC(=O)c1occc1COc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 470010433 XNWWPZKKZZIEHI-MRXNPFEDSA-N 442.437 5.673 30 20 IKED N#Cc1cccc(-c2nnc(CN3CCC(OCc4ccc(Cl)c(Cl)c4)CC3)o2)c1 472941878 IBTLMJWQPFDRMH-UHFFFAOYSA-N 443.334 5.096 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)c3ccccc3Br)o2)cc1 473795349 QVSZMMLGNSRHKF-ZDUSSCGKSA-N 445.338 5.427 30 20 IKED COC(=O)c1ccoc1CSc1ccccc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 474434511 QZLGTTUEMZUHAU-MRXNPFEDSA-N 440.546 5.428 30 20 IKED N#CC[C@H](CC(=O)N1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 475534298 UOUYIVUDEITIEY-UTKZUKDTSA-N 444.362 5.401 30 20 IKED CN(C(=O)c1csc(-c2cc(Br)cs2)n1)c1cc(Cl)ccc1C#N 479569283 LINPGFKSSYDNEW-UHFFFAOYSA-N 438.759 5.436 30 20 IKED CCN(C[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 480378560 OOOJFUWSLPVAFE-QFIPXVFZSA-N 429.476 5.044 30 20 IKED Cc1ccc(C)c(Sc2ccc(NC(=O)C(=O)N[C@@H](C)c3ccc(C#N)cc3)cc2)c1 481139634 RSJYXHYCJUSZMF-SFHVURJKSA-N 429.545 5.142 30 20 IKED CCC[C@H](C)N(C(=O)c1ccc(C(C)(C)C#N)cc1)c1nc(C)c(C(=O)OCC)s1 483621085 RRMPFHZAMAWPBX-HNNXBMFYSA-N 427.570 5.265 30 20 IKED COc1ccc(-c2noc([C@@H](C)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)n2)cc1 489707309 PDGCJZPYGLIXEZ-MRXNPFEDSA-N 442.475 5.591 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)n1 490696963 RRVJFGHEHYMKBZ-KRWDZBQOSA-N 436.562 5.280 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C 498932047 WOVZCMKVMPHLHA-UHFFFAOYSA-N 429.520 5.476 30 20 IKED N#CCN(C(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12)c1ccccc1 499845274 XVOYTJYOEZSEJD-UHFFFAOYSA-N 428.492 5.085 30 20 IKED CC[C@H](C)n1c(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccccc1 504278877 DRALKBWLBSZRPM-LSDHHAIUSA-N 439.972 5.560 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2OC(F)F)cc1Cl 509646278 JWOSHCZVWCCQNL-KRWDZBQOSA-N 448.878 5.398 30 20 IKED C[C@H](NC(=O)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1)c1ccc(C#N)cc1 509709621 CRNODABHEPTFMD-AZUAARDMSA-N 435.572 5.104 30 20 IKED CCN(C(=O)Nc1ccc(CC#N)cc1)[C@H]1CCSc2ccc(Br)cc21 510019437 FWXPEKTYYKTDEL-SFHVURJKSA-N 430.371 5.606 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(CN2CCSCC2)cc1 512138310 HXBDEWSKJQRNSB-UHFFFAOYSA-N 443.572 5.460 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NCCc3nc(-c4cccc(Cl)c4)no3)c2)cc1 513216858 HQIUYMUVJXYMSB-UHFFFAOYSA-N 444.878 5.026 30 20 IKED Cc1ccccc1-c1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)c2cnn(C(C)C)c2n1 513672148 ONMUTFMMYOUUNM-HXUWFJFHSA-N 448.530 5.364 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2ccccc2OCc2ccccc2Br)n1 513677078 QBOOZTGOFIXGRC-INIZCTEOSA-N 427.323 5.283 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)c1 514241352 GWQMYCMARSLZOG-DEOSSOPVSA-N 432.907 5.004 30 20 IKED C=CCN(C(=O)c1cc(Cl)c(OCC)c(OC)c1)c1nc(-c2ccccc2)cs1 514616883 ZTBVFUMDAGNWJT-UHFFFAOYSA-N 428.941 5.704 30 20 IKED C=CCc1ccc(OCC(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)c(OC)c1 517354754 CXTSYGGFWZPNGR-UHFFFAOYSA-N 448.519 5.857 30 20 IKED Cc1ccc(N(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C2CCCCC2)nc1 518123770 TZJJPLDEUCBDJA-UHFFFAOYSA-N 425.532 5.820 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 520177128 KJVSAUJKBFRHPG-UHFFFAOYSA-N 439.409 5.451 30 20 IKED C=CCN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nc2c(s1)CCCC2 520725688 UQDDZYZQNNXFII-UHFFFAOYSA-N 433.508 5.658 30 20 IKED N#CCc1ccc(NC(=O)CNc2ccc(Oc3ncc(Cl)cc3Cl)cc2)cc1 521185494 YDBXWKDEHXNSSA-UHFFFAOYSA-N 427.291 5.297 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 521420676 OJKJRYVNTKDNHN-FQEVSTJZSA-N 440.547 5.492 30 20 IKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccccc1SCCC#N 521717472 YHINCACFJUTVLE-UHFFFAOYSA-N 429.549 5.076 30 20 IKED C[C@H](CC(=O)N[C@H](C#N)c1ccc(Br)cc1)c1ccccc1C(F)(F)F 525069790 AKXPVPNAZOQBJV-SJKOYZFVSA-N 425.248 5.343 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(Br)cc1 531463303 LKRHYQGHJHPKTN-KXBFYZLASA-N 444.398 6.070 30 20 IKED Cc1ccc(C(=O)C2CCN(CC(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)c(C)c1 532764196 DDASIQASUSTYJK-LJQANCHMSA-N 449.620 5.089 30 20 IKED Cc1csc(C2(NCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)CCCC2)n1 533388465 PMCUGPZAQJKSRR-UHFFFAOYSA-N 439.629 5.244 30 20 IKED C=CCN(Cc1cccc(C#N)c1)Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1 533775995 OSXMPLVTXOJSTO-UHFFFAOYSA-N 436.968 5.541 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)c1ccc(CC#N)cc1 533988736 HPEAEOLBGDACEC-CYBMUJFWSA-N 440.366 5.438 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccccc2CN2CCOCC2)cc1Cl 534907884 BRACTRGQVQZOOI-UHFFFAOYSA-N 447.922 5.088 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cc(-c3ccccn3)ccc2Cl)cc1 535117565 UGYMCCBRHGTYBY-UHFFFAOYSA-N 429.829 5.478 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2ccc(Br)c(Cl)c2Cl)cc1 541635872 TUCXMHDEKOAKNC-UHFFFAOYSA-N 430.154 5.499 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCc1sc(C)nc1C(F)(F)F 541834502 JXXSPSQTHOLTPS-UHFFFAOYSA-N 426.489 5.119 30 20 IKED COc1ccc(CN2CCC[C@@H]2c2ccc(Br)s2)cc1OCCCC#N 543413614 XDWFNHIMBPKKMJ-MRXNPFEDSA-N 435.387 5.539 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[C@@H](CSc2ccccc2)C1 549685391 KBRCNEHKNIGGLY-JOCHJYFZSA-N 434.609 5.190 30 20 IKED N#Cc1ccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)cc1F 554997337 MEMKWYAZXDFGMT-UHFFFAOYSA-N 428.389 5.345 30 20 IKED C[C@@](C#N)(NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)C1CCCCC1 555905657 YMEIULLSBSKPGW-SANMLTNESA-N 429.520 5.206 30 20 IKED C=C[C@H](CC(=O)N(c1ccc(OC)cc1)c1nc(C(=O)OCC)cs1)c1ccccc1 556209041 RLYNEAYLKRAXPX-QGZVFWFLSA-N 436.533 5.353 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](c2cccs2)C1 559004328 MXUPBBMYANUHJC-TZIWHRDSSA-N 438.597 5.250 30 20 IKED N#Cc1ccc(N2CCC(NCc3nc4c(s3)C[C@@H](c3ccccc3)CC4)CC2)cc1 560551858 GUOIMEKXMPKSPJ-NRFANRHFSA-N 428.605 5.046 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)NC(c3cccs3)c3cccs3)s2)cc1 570972899 QLUFJVRJCFYNHW-UHFFFAOYSA-N 436.587 5.640 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 572426864 SNNMVMCCLIOMQK-HXUWFJFHSA-N 445.611 5.053 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CC[C@H](C(F)(F)F)C4(CCC4)C3)cc2)ccn1 578311561 MTGNBXLTWSNASL-IBGZPJMESA-N 430.430 5.332 30 20 IKED CC(C)[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1nc2ccccc2[nH]1 579897807 LBOOAYGWQDQJQP-QFIPXVFZSA-N 426.480 5.141 30 20 IKED O=C(Nc1ccccc1CCC(F)(F)F)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 581203514 SGOPBABOUKDLOQ-IBGZPJMESA-N 448.382 6.303 30 20 IKED C[C@H](NC(=O)NCc1ccccc1Cn1ccnc1)c1ccc(-c2cccc(C#N)c2)cc1 582441309 WKXNTKRBFHMAMJ-FQEVSTJZSA-N 435.531 5.030 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2cc(-c3ccccc3)on2)cc1 583612751 NWTZVUIHTXEGDA-UHFFFAOYSA-N 440.459 5.336 30 20 IKED N#CCCC[C@H](NC(=O)N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccccc1 590072492 RHOSROKUZCFWRE-KEVKATSASA-N 430.596 5.021 30 20 IKED Cc1c(Cl)cccc1-n1c(S[C@H](C#N)Cc2ccccc2)nnc1-c1ccncc1 603981268 ZNTJBGMRJCDCRL-IBGZPJMESA-N 431.952 5.518 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)Cn3ccc4ccccc43)s2)c(C(F)(F)F)c1 604174121 VCTZBAYUVYINAS-UHFFFAOYSA-N 440.450 5.218 30 20 IKED O=C(Nc1cc(F)ccc1Cl)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 606189661 IEAYRXKNBGZKOR-UHFFFAOYSA-N 445.718 5.614 30 20 IKED C[C@H](CC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F 607464598 XEYXWKKCNPBYLR-NDBYEHHHSA-N 449.357 6.225 30 20 IKED CCOc1ccc(SCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 609061379 BHHUFKNHHDARJO-UHFFFAOYSA-N 432.545 5.575 30 20 IKED Cn1ccnc1[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(F)cc1 609208780 FUJCDDKOFLDPDC-QHCPKHFHSA-N 441.466 5.134 30 20 IKED COCCc1ccc(Oc2ccc(NC(=O)c3cc4ccccc4n3CC#N)cc2)cc1 609375817 KWUVGTFAVLZHMT-UHFFFAOYSA-N 425.488 5.398 30 20 IKED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CSC(c1ccccc1)c1ccccc1 611171029 KJMWZUSURQQWGV-UHFFFAOYSA-N 447.604 5.474 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 615674478 GJEBLUAHGFIMAS-HXUWFJFHSA-N 431.536 5.128 30 20 IKED Brc1ccc(-c2nnc(CNc3cccc(C#Cc4cccs4)c3)o2)o1 675444476 UTUGZBWAGWSQFN-UHFFFAOYSA-N 426.295 5.166 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(Br)cc2)nc1)c1ccc2ccccc2n1 678322107 FHRACWWGONUFMO-LJQANCHMSA-N 444.288 5.675 30 20 IKED C=CCn1c(SCc2nc(O)c3ccc(C(F)(F)F)cc3n2)nnc1-c1ccccc1 678554623 GDDXVXNMHMHGSW-UHFFFAOYSA-N 443.454 5.091 30 20 IKED COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1C 728062680 NQPDKZREDWMPBC-UXHICEINSA-N 443.547 5.132 30 20 IKED CCCCCCOc1ccc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1OC 729416741 YPTHXQJRBIPDDW-UHFFFAOYSA-N 436.552 5.210 30 20 IKED Cc1ccc(C(=O)N[C@@H](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)c2ccccc2)cc1 729889880 FKUCKXJPBMXTJX-IRLDBZIGSA-N 439.540 5.342 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc(F)cc2)o1 731063886 NPZDUZWPFAVSHC-OAHLLOKOSA-N 438.480 5.275 30 20 IKED N#Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3cc(Br)ccc23)nc1 731989353 YMZBLVKUJRJUBO-UHFFFAOYSA-N 429.277 5.183 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-n3nc(C)cc3C)c(F)c2)cc1 732708204 NYNLHLGGDKWNSL-QVKFZJNVSA-N 432.499 5.103 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cccc(COc2cccc(F)c2)c1 734079881 XWIAEPNBKBHKTQ-XMMPIXPASA-N 444.506 5.491 30 20 IKED COc1cccc([C@H](C#N)NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1OC 735044183 IQNOSKATAMNPGH-FQEVSTJZSA-N 447.878 5.016 30 20 IKED COC(=O)NCc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 735258955 DBRPNQZCAPVQSU-UHFFFAOYSA-N 435.867 5.112 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1 743475337 SDXBURKVSVAMLD-OAQYLSRUSA-N 438.531 5.193 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(Cc2ccccc2)C(=O)N[C@H]1c1ccc(C#N)o1 743738290 DFBHABYUCUYNNX-QFIPXVFZSA-N 431.879 5.071 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CCSc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 744035008 JTNYYUBOEWTBDR-ZBFHGGJFSA-N 445.396 6.573 30 20 IKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2cc(C)ccc2F)[n+]2ccc(C)cc2)N=C1C 744116809 PXXXGFZCGSFHIR-UHFFFAOYSA-O 438.548 5.048 30 20 IKED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)CS[C@@H](c3ccccc3)c3ccc(Cl)cc3)nc12 750730348 PSHCLISNCWXSNW-UGKGYDQZSA-N 446.963 5.619 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)[C@@H](CC)c2cccc(C(F)(F)F)c2)ccc1OC 752312766 SGBCAVNWGSKXAX-OALUTQOASA-N 434.458 5.205 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(COC(C)(C)C)cc2)ccc1OC 752716596 QDJHIEZYDKSJNO-FQEVSTJZSA-N 425.529 5.013 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc([N+](=O)[O-])cc1F 755611868 UCILYARAUMKGEO-TVQRCGJNSA-N 437.374 5.342 30 20 IKED Cn1cc(CCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2ccccc21 756244942 WFCPNDRQUWUTLR-INIZCTEOSA-N 427.451 5.616 30 20 IKED Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 756303369 VPLTWLIZZVNPJQ-AVRDEDQJSA-N 432.593 6.455 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](C)c2ccc(N3CCOC3=O)cc2)cc1 756922590 SVZDDYUNGHEKIR-GOSISDBHSA-N 441.487 5.107 30 20 IKED Cc1cccc(Cl)c1NC(=O)COC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 757715078 KOVJGLOYNQZWFO-UHFFFAOYSA-N 438.842 5.247 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)CCCn2ccc3cc(Cl)ccc32)ccc1OC 760388377 ZQZMBPNSHWIFRK-FQEVSTJZSA-N 439.943 5.081 30 20 IKED Cc1sc([C@@H](C)NC(=O)Nc2ccc(F)cc2OCC#N)nc1-c1ccc(Cl)cc1 761677347 NAZWMCNRDHWQKQ-GFCCVEGCSA-N 444.919 5.696 30 20 IKED C=C[C@@H](Cc1nc(-c2ccc(CNc3ccc4nc(O)[nH]c4c3)cc2)no1)c1ccccc1 762177112 OUVFTNHYOZTDQN-SFHVURJKSA-N 437.503 5.443 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2ccc(CC[C@H](O)c3ccccc3)cc2)c(Cl)c1 762996862 DKXONBYFKLNJHL-NRFANRHFSA-N 425.315 5.784 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 764200545 YBQCKPFXERWDFH-DLBZAZTESA-N 429.586 5.057 30 20 IKED Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)c2c1 764308030 XHLCGVAFAVIVDB-UHFFFAOYSA-N 443.850 5.291 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C/c3cnc(C4CCCC4)s3)SC2=S)cc1Cl 767677967 HQHKHYSWIJHMTE-PXNMLYILSA-N 431.995 5.732 30 20 IKED C#CCCCCC(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 773779977 PPTBJBFPCVLNHE-UHFFFAOYSA-N 435.263 5.253 30 20 IKED COc1ccc2nc(Cl)c(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cc2c1 775480227 JMROQMDFFYGFQW-UHFFFAOYSA-N 434.908 5.068 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 777296777 MZWDUHKDJLONFS-DLBZAZTESA-N 445.972 5.429 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 778391214 KZBHVONQQQFCOU-JTHBVZDNSA-N 430.479 5.218 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 779021551 UIKLUDHVEWGKBV-HARLFGEKSA-N 448.567 5.109 30 20 IKED O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccc(C(F)(F)F)nc1Cl 779099623 LLQHOWPSBQJCAF-LLVKDONJSA-N 448.697 5.389 30 20 IKED C#CCCCCCC(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1 780258408 JYKTWGNLMRZQLX-UHFFFAOYSA-N 432.973 5.725 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 780678039 KELWDVAMDYCJED-BZNIZROVSA-N 431.336 5.421 30 20 IKED N#Cc1ccsc1C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F 781377042 YJXQBYIORFZRJF-LJQANCHMSA-N 430.451 5.015 30 20 IKED Cc1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1C(F)(F)F 782974017 ORNSPFTYVXFJCA-FQEVSTJZSA-N 437.421 5.247 30 20 IKED CC(C)(C)OC(=O)c1ccccc1C1CCN(C(=O)c2ccccc2SCC#N)CC1 784740842 JRLFHQHRPAYLRR-UHFFFAOYSA-N 436.577 5.277 30 20 IKED Cc1ccncc1/C=C/C(=O)C(c1nc2ccccc2s1)c1nc2ccccc2s1 784819069 JXKBZNVXZRWWJE-ZHACJKMWSA-N 427.554 6.024 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)/C=C/c1ccc(Cl)s1)c1ccc(Cl)cc1Cl 787048654 GUWKULXMIWTWQP-MCOQWZOWSA-N 427.740 5.308 30 20 IKED CC(C)(C)OC(=O)N1[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)C[C@H]2C[C@H]21 796760517 ABHGRSVHFDILAQ-SIUPPRGNSA-N 443.956 5.038 30 20 IKED COc1ccccc1CON=Cc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1 799118450 HALDPMWUCTZLBP-UHFFFAOYSA-N 449.454 5.406 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@@H](c4ccccn4)C3)cc2Cl)c1 799212674 WRAICGOTOOMBNN-LJQANCHMSA-N 432.911 5.207 30 20 IKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)OCCCC1(C#N)CCOCC1 800111747 QCZVXBJJJVLLMO-UHFFFAOYSA-N 428.532 5.397 30 20 IKED C[C@]12CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)C[C@@H]1C2(Cl)Cl 803547608 CSMURIQJDNNWDY-FPOVZHCZSA-N 431.388 5.506 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cc(=O)c2ccc(F)cc2o1 803755053 FAOUOETVFTWJFQ-UHFFFAOYSA-N 447.306 5.242 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCN(c2ccccc2F)C1)c1nc2cc(C(F)(F)F)ccc2s1 810537477 UPBLRBZGPKRFLP-TZMCWYRMSA-N 433.430 5.157 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])cc2)c1 812969661 DPBACZJHIKUISJ-UHFFFAOYSA-N 442.258 5.605 30 20 IKED O=C(NO)c1ccc(CNC(=O)c2oc3ccccc3c2CSC2CCCCC2)cc1 816403556 DTDHSGHZSWCTHL-UHFFFAOYSA-N 438.549 5.048 30 20 IKED N#C[C@H](C(=O)CSCc1ccc(F)cc1)C(=O)Nc1ccccc1Oc1ccccc1 916905937 QNDWNMFLSZNXJB-HXUWFJFHSA-N 434.492 5.199 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cc1csc(-c2ccc(C)cc2)n1 916909222 SERWTOWQTMPZMG-OAQYLSRUSA-N 431.561 5.133 30 20 IKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(COc2ccccc2)cc1 916942972 RKAXWFOTNQVNHZ-NRFANRHFSA-N 439.298 5.534 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 916956119 XUSBTLFNXVJSAU-KOSHJBKYSA-N 439.515 5.414 30 20 IKED Cc1ccc(/C=C/C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c(Br)c1 917041043 OFPPCYDXHSUMFM-VFNNOXKTSA-N 430.252 5.392 30 20 IKED C=CCn1c(SCc2c(C)nn(Cc3ccccc3)c2Cl)nnc1-c1ccoc1C 917177564 VAPVLKZSSDTKBR-UHFFFAOYSA-N 439.972 5.531 30 20 IKED O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1N=Cc1cc(-c2ccccc2)cs1 917538241 GMMVOBDUBXCAEA-UHFFFAOYSA-N 427.441 5.107 30 20 IKED O=C(Nc1ccc(N2CCCC2)c(F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 919652693 FDLMCSVCBFJKJR-TXEJJXNPSA-N 427.364 5.021 30 20 IKED N#C[C@H](C(=O)[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1)c1nc2ccccc2s1 920105818 FPYNMOAPMZVPMX-HKCWIBIESA-N 449.963 5.220 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(Cl)s2)n1 920109916 WJMKTCBEVYMIJP-AWEZNQCLSA-N 443.981 5.611 30 20 IKED N#C[C@@H](C(=O)C1(c2cccc(F)c2)CCOCC1)c1nc(-c2ccc(Cl)cc2)cs1 920110083 KQDDUYCEOIGBQK-IBGZPJMESA-N 440.927 5.527 30 20 IKED Cc1ccc(SCCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1C 920807059 WYTUIWLQCDBOIX-MRXNPFEDSA-N 428.529 6.064 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3nc(C)sc3C)CCC2)cc1 1789453230 PRFHGBWQBDXCJX-NRFANRHFSA-N 437.609 5.205 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccnc(C(F)F)c3)CCC2)cc1 1789453388 ZELPWAISMHFDGR-FQEVSTJZSA-N 439.506 5.535 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)no3)cc2)CCC1 1789783981 JAMQFKRMHGODQT-GOSISDBHSA-N 429.520 5.302 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc4ccccc4o3)CCC2)cc1)C(F)(F)F 1791303376 VFJVDSZMUHWINM-UHFFFAOYSA-N 428.410 5.299 30 20 IKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)S)cc3)CCC2)cc1Cl 1791577234 IOCFBFFIEIGJIS-HNNXBMFYSA-N 447.000 5.193 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C)nc3C)cc2)CCC1 1791769316 QSJBDPAJYVJDGV-UHFFFAOYSA-N 445.607 5.534 30 20 IKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792123074 IDDBCZAYHYHTKA-JTSKRJEESA-N 435.593 5.016 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/C2CCCCC2)[C@H]1c1cccnc1 1802501302 WKHSMDWWEVHBHP-WZRRVDDOSA-N 437.628 5.216 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccsc3[nH]2)n[nH]1 1821436775 QBJMYZAPSANRJK-SFHVURJKSA-N 439.585 5.251 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C(C)=C/c2cccs2)CC1 1823718204 WOFZHRVHPHNFQI-MWDQKLQBSA-N 440.653 5.540 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1831376018 HWWSSQKQNNVXMI-HTAPYJJXSA-N 442.003 5.267 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc([N+](=O)[O-])cc1)=C(/S)Nc1cccc(C)c1C 10167731 UNYSGTGTLOXSKB-UHFFFAOYSA-O 434.541 5.112 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)sc1C)=C(/S)Nc1cccc2ccccc12 11127724 LGCFYOUBXCSLBC-UHFFFAOYSA-O 445.633 6.419 30 20 IKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc3c(c2)CCCC3)c1 11269279 VBMKAVIORKVOLT-UHFFFAOYSA-O 437.535 5.490 30 20 IKED C=CCSc1ccccc1NC(=O)COC(=O)c1sc2cccc(F)c2c1COC 26667710 DMHQEAZMIMIBRZ-UHFFFAOYSA-N 445.537 5.260 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2Oc2ccc(C)cc2)nnc1-c1ccco1 29550698 UJMWGIBMFIARCF-UHFFFAOYSA-N 446.532 5.556 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 110062763 LNOAHRVSODYZPO-UHFFFAOYSA-N 429.467 5.753 30 20 IKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(SC(F)F)cc1 254702583 TYGMPHYMGNNLRQ-QGZVFWFLSA-N 447.532 5.148 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 301904313 DCGNRCKVAKXSGT-OAQYLSRUSA-N 437.948 5.684 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cc(-c2ccccc2)on1 302694721 GBSRBBIUAPUEOH-UHFFFAOYSA-N 438.940 5.644 30 20 IKED C[C@](C#N)(CCc1ccccc1)NC(=O)c1cc(C(F)(F)F)ccc1Br 433186091 CWFFFJCIMYVOIZ-GOSISDBHSA-N 425.248 5.113 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3ccc(F)cc3C#N)c3cnn(C(C)C)c3n2)c(C)s1 433986943 ZIRSJCVMVTWDLB-UHFFFAOYSA-N 433.512 5.621 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCOC3(CCSCC3)C2)cc1 434498417 SUGLEMNFINHALV-HXUWFJFHSA-N 438.618 5.025 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 437192798 DJTLJQJYTRVLSN-UHFFFAOYSA-N 442.243 5.069 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N(C)[C@H](C)c2ccc(-c3ccccc3OC)cc2)cc1 437888121 JMGIMOIXCYXTOD-LJQANCHMSA-N 443.547 5.503 30 20 IKED C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 437951123 HMMXCRBPZYOTCE-MZNJEOGPSA-N 447.485 6.030 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 438045082 QRRZUVWZNARDKC-KBPBESRZSA-N 425.489 5.010 30 20 IKED COc1ccccc1[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 438663696 XJBSLRFXBFBASN-SFHVURJKSA-N 431.467 5.520 30 20 IKED C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 441569710 SIVHJJDZOATUPN-IFXJQAMLSA-N 445.441 5.003 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(OC(F)F)cn2)cc1Cl 446141798 ZETOJVIAWRKORB-LJQANCHMSA-N 442.853 5.314 30 20 IKED C[C@H](CC#N)N(C)C(=O)Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1 448152648 AIYADHSUDQMYBY-GFCCVEGCSA-N 429.343 5.492 30 20 IKED C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 460580586 YLZSWOQKWWKUQM-AUMHUTNHSA-N 434.565 5.202 30 20 IKED Cc1cc(C)c2ncc(C#N)c(N3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)c2c1 462800931 HBYLGZFWBAXIHK-SFHVURJKSA-N 427.483 5.296 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 464477155 RTWODAVPQPHIDI-XUTJKUGGSA-N 426.358 5.187 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H]1CCN(c2ccccc2F)C1 464586103 HLYNTHCKBRWLOU-SFHVURJKSA-N 431.536 5.105 30 20 IKED C[C@H](Cc1ccc(Br)c(F)c1)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 468765319 AKHIZBGHZBBMSN-OAHLLOKOSA-N 444.348 5.214 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNc1ccc2c(c1)CCC(=O)N2CCCC#N 469050080 OYBWDTXTZCGBJQ-UHFFFAOYSA-N 447.970 5.338 30 20 IKED CCOc1ccc(CN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C(C)C)cc1 470547254 CNNZEZMOCAIFGC-UHFFFAOYSA-N 448.567 5.111 30 20 IKED N#CCCn1cc(C(=O)Nc2ccc(-c3ccco3)cc2F)c(-c2ccc([N+](=O)[O-])cc2)n1 470556756 RRZVYIGTGLVTGR-UHFFFAOYSA-N 445.410 5.023 30 20 IKED CC(C)n1c([C@@H]2CCCN2CCC(=O)Nc2sc3c(c2C#N)CCC3)nc2ccccc21 471016784 BUJBMIWVSJZJNI-NRFANRHFSA-N 447.608 5.205 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 475582613 KRERBTYVDDLGSE-HXUWFJFHSA-N 433.531 5.073 30 20 IKED C=CCn1c(SCC(=O)c2csc3ccccc23)nnc1[C@@H]1COc2ccccc2O1 475959199 QCQJHAFZNUOIOV-FQEVSTJZSA-N 449.557 5.166 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 476778673 XCZSLDOTQVLMIS-UHFFFAOYSA-N 434.561 5.592 30 20 IKED Cn1cc(CNc2cccc(C[S@](=O)Cc3ccccc3)c2)c(-c2ccc(C#N)cc2)n1 478386370 PXTBJWSGLPFVCT-JGCGQSQUSA-N 440.572 5.020 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1nnc(-c2cc(F)ccc2C)s1 483909476 YSFUFWUDUFCEMB-UHFFFAOYSA-N 428.537 5.040 30 20 IKED O=C(Nc1nnc(CC(F)(F)F)s1)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 484965397 XXDLFGVQJLONPV-UHFFFAOYSA-N 449.351 5.720 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCOc3ccc(F)cc3C2)cc1Cl 488390006 MVSRDVSOHHCONQ-NRFANRHFSA-N 435.886 5.561 30 20 IKED C[C@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)Cc1cc(F)c(C(F)(F)F)cc1F 488894690 JXLBKFUNNCQNAU-SECBINFHSA-N 448.331 5.558 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2sccc2Br)cc1 490627855 OSAUMPNZLQSTLL-UHFFFAOYSA-N 427.323 5.408 30 20 IKED CCN(C(=O)[C@H](C)Oc1ccccc1C#N)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 496501245 YYYJSJCIJUXVCX-FNZWTVRRSA-N 427.548 5.482 30 20 IKED C[C@H](NCCCC1(C#N)CCOCC1)c1nc(-c2ccc(Br)cc2)cs1 499626985 RLTGWKWNUCVAMZ-HNNXBMFYSA-N 434.403 5.324 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1c(C)cc(Br)cc1Cl 501222069 PKEFBWBYFZIZAC-UHFFFAOYSA-N 437.721 5.089 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1 505620419 ODSPYZUFQZGBIW-UHFFFAOYSA-N 441.512 5.664 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 505952654 CGNQAWBCXBMNFA-UHFFFAOYSA-N 446.482 5.059 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2cccc3ncccc23)cc1 507831246 QKCFDDPXARQXJH-QGZVFWFLSA-N 438.487 5.346 30 20 IKED Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 508385478 JZLKMZGHNIGKNP-UHFFFAOYSA-N 427.504 5.293 30 20 IKED N#CCc1ccc(NC(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)cc1 509709688 CDEWQAMITLXWNI-OAQYLSRUSA-N 438.300 5.565 30 20 IKED C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510209806 LDGKVCYMVPFPTD-GFCCVEGCSA-N 445.520 5.205 30 20 IKED Cc1cc(OC(F)F)c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)s1 510469570 FEYSOAIGNZUFNR-UHFFFAOYSA-N 428.460 5.555 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CC(=O)Nc1cccc(Cl)c1 510872486 PZDOARWCXAXNAN-UHFFFAOYSA-N 448.910 5.415 30 20 IKED CCOc1ccc(Oc2cc(CNC(=O)c3ccccc3-c3ccccc3C#N)ccn2)cc1 512671182 WLWJMJOZFSDCQB-UHFFFAOYSA-N 449.510 5.741 30 20 IKED CCOc1ccc([C@H]2CCCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 515375087 VTNVZXRGWNWHKM-JOCHJYFZSA-N 432.549 5.373 30 20 IKED CCc1nc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cs1 516323098 AAMVDDQTQREEHF-UHFFFAOYSA-N 426.929 5.687 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)CC1 517666931 DNUDAUCJSRBQME-YVZJPGBNSA-N 429.347 5.475 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21 517778449 JBJDQYDJIKONRD-VWLOTQADSA-N 425.532 5.669 30 20 IKED CC1CCN([C@@H](CNC(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccccc2)CC1 518168491 IYMHYTMLLJUPIM-OFNKIYASSA-N 436.625 5.533 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 518226774 LVWGTTZOTICWKN-UHFFFAOYSA-N 448.482 5.204 30 20 IKED C=CCn1c(SCC(=O)c2ccc(OCc3ccccc3)cc2)nnc1-c1ccco1 518600498 DKNDLBULIWEEDY-UHFFFAOYSA-N 431.517 5.278 30 20 IKED Cc1nc(-c2ccc([C@@H](C)NC(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)cs1 518683307 PVIZKAXDRRYMBG-HZPDHXFCSA-N 436.606 6.253 30 20 IKED COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1ccccc1S[C@H](C)CC#N 520923245 GYBPNLUCSLJYRB-OAHLLOKOSA-N 425.941 5.786 30 20 IKED Cc1cc(Cl)ccc1O[C@H](C(=O)Nc1nc(C)c(SCC#N)s1)c1ccccc1 521245479 WLCMXZQZMJUODB-SFHVURJKSA-N 443.981 5.788 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)c2)c1 522321495 VRIYPMHROHULHN-UHFFFAOYSA-N 433.511 5.548 30 20 IKED C=CCOc1cccc(NC(=O)C(=O)N(C)[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)c1 525325032 NBZBFEHEMYSMOP-SFHVURJKSA-N 449.576 5.150 30 20 IKED Cn1cc(Nc2cccc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c2)cn1 533213038 WDFFXOIMWVFYND-UHFFFAOYSA-N 439.494 5.017 30 20 IKED CC(C)Cn1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1C(F)F 535403932 LSOOPVAWHKLMRC-CQSZACIVSA-N 434.899 5.744 30 20 IKED COc1ccc2oc([C@H](C)NCC(=O)Nc3ccccc3S[C@@H](C)CC#N)c(C)c2c1 541651493 KYMGVBFJKPKNHE-RDJZCZTQSA-N 437.565 5.433 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCCc1nc(-c2ccc(F)cc2)no1 542376194 MGJLSSZBIZEXPY-HNNXBMFYSA-N 439.516 5.024 30 20 IKED Cc1nn(C)c2ncc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc12 549173371 KGCFFOFGCJECIA-OAHLLOKOSA-N 442.331 5.197 30 20 IKED Cc1noc(C)c1COc1ccccc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 549401113 JBUFLKNOZJAMPA-MRXNPFEDSA-N 437.908 5.624 30 20 IKED COc1ccc(CCC(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1Cl 552457215 KQRXEWRSHVKTIA-HSZRJFAPSA-N 434.923 5.241 30 20 IKED O=C(CSCc1cc(F)c(C(F)(F)F)cc1F)Nc1ccccc1C(F)(F)F 554713665 CNZYRYLHCFJJQO-UHFFFAOYSA-N 429.332 5.874 30 20 IKED COc1cc(N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc(OC)c1OC 564402160 KUGSCEKVDOIXRT-UHFFFAOYSA-N 433.464 5.045 30 20 IKED N#C[C@H](C(=O)c1cnc(OCC2CC2)cn1)c1nc(-c2ccc(Cl)cc2Cl)cs1 568423045 AKYDRBMOFLBANB-CQSZACIVSA-N 445.331 5.186 30 20 IKED N#CCC1CCN(C(=O)Nc2ccc(Oc3ccc(F)cc3)c(Br)c2)CC1 570355359 IRZPAAFEITWCGZ-UHFFFAOYSA-N 432.293 5.538 30 20 IKED CC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1F 571891174 LRBYCKJNFOURJG-XHBUVVKHSA-N 437.540 5.198 30 20 IKED CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(F)c2)c2cccs2)cc1 576868700 XCJTYXUXSITIGZ-OYHNWAKOSA-N 435.524 5.117 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC1(c2cccc(Cl)c2)CCCC1 577922802 GIKZIIJPZXKDTG-MRXNPFEDSA-N 441.984 5.116 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1nc2cc(F)ccc2s1 592974688 XAJJSKKPQDFAQD-NSHDSACASA-N 448.376 5.269 30 20 IKED Cc1ccc(-c2nc(CC(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)cs2)cc1 603897922 QCJMLHUGPQBXQM-UHFFFAOYSA-N 431.439 5.113 30 20 IKED CCOc1cc(N[C@@H](C#N)Cc2ccccc2)c(OCC)cc1NC(=O)c1ccccc1 604555170 JNWLBTJWRAMNFM-OAQYLSRUSA-N 429.520 5.283 30 20 IKED O=C(Nc1cccc(F)c1F)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 606185650 UGVSJPKCLRGDDO-UHFFFAOYSA-N 429.263 5.099 30 20 IKED C[C@H](Sc1nnc(CCC2CCCCC2)o1)C(=O)N(CCC#N)c1ccc(F)cc1 608929663 HNIWAYNJHZHSQS-INIZCTEOSA-N 430.549 5.149 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)cc1 609031920 OQAPDGNHXXHLDJ-UHFFFAOYSA-N 439.515 5.409 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)c1ccccc1C(F)(F)F 609068795 XHZWNNYCWKUBKK-UHFFFAOYSA-N 446.450 5.265 30 20 IKED COc1ccccc1CC(C)(C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 609207063 GDJBSTARYJUJFL-UHFFFAOYSA-N 443.547 5.483 30 20 IKED C[C@H](c1ccc(F)cc1)[S@](=O)CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 609367644 QTJGBXSRRYNXCZ-XUQHIXODSA-N 441.368 5.312 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Oc1ccc(F)cc1Br 609428468 QCDAMUCRKZNZSB-CHWSQXEVSA-N 437.334 5.388 30 20 IKED CCCc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C(C)C)cc1 609436292 YFQJDUDTWRHMTN-MBSDFSHPSA-N 437.609 5.485 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccccc3NC(=O)c3ccccc3)c2)cc1 609642408 UPZSDOGNUWGBDG-UHFFFAOYSA-N 447.494 5.642 30 20 IKED N#Cc1ccc(CSCC(=O)NCCCCSc2ccccc2Br)cc1 609652652 FPKJCXODIYFIHQ-UHFFFAOYSA-N 449.439 5.243 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2nc(-c3cccs3)no2)c1 609724445 OCSIZJGEQJDRRI-UHFFFAOYSA-N 436.880 5.045 30 20 IKED CC(C)n1cnnc1[C@H]1CCCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1 609733160 YDZLBFBHNDLULW-SFHVURJKSA-N 449.942 5.196 30 20 IKED C=CCN(C(=O)Cc1ccccc1OC(F)F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 609813979 PBAQJWMCEZCFGJ-UHFFFAOYSA-N 445.447 5.081 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(Oc3cnccn3)c2)cc1 609907359 NAADQRIJIJJWKH-UHFFFAOYSA-N 438.443 5.194 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C)n1-c1nccs1 613405040 UAEUPCDXPFVROZ-AWEZNQCLSA-N 446.479 5.669 30 20 IKED O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618366234 ZZDHBUWDUFQPSF-KBPBESRZSA-N 447.350 5.260 30 20 IKED N#C[C@@H](C(=O)c1cc(Br)c2ccccc2c1)c1nc2ccccc2n1C(F)F 645955577 PDMWMYCXIMKXMR-HNNXBMFYSA-N 440.247 5.837 30 20 IKED O=C(c1ccccc1OCc1ccc(F)cc1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674460735 JBBKAXCUZQYLEI-IYBDPMFKSA-N 435.339 5.218 30 20 IKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cccc(Cl)c2)cc1 726571421 IBFFZOJKYUMYMG-UHFFFAOYSA-O 441.363 5.784 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1ccc(OC(F)F)cc1 728062700 NYXWRNUKRNLLOR-MRXNPFEDSA-N 437.446 5.178 30 20 IKED CCOc1cc(/C=C/C(=O)c2csc(C(=O)O)c2)cc(Br)c1OC(F)F 730150680 WLWZQOUUZWRACH-ONEGZZNKSA-N 447.253 5.105 30 20 IKED Cc1ccc(S[C@H](C(=O)OCC(=O)Nc2ccc(CC#N)cc2)c2ccccc2)c(C)c1 730330875 CKCRPXKXGIPYDF-VWLOTQADSA-N 444.556 5.385 30 20 IKED N#CCCn1cc(C(=O)COC(=O)c2ccccc2OCc2cccs2)c2ccccc21 730613651 IOWQLXSKEGVLDI-UHFFFAOYSA-N 444.512 5.235 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC(c2nc(-c3ccccc3)cs2)CC1 732092800 DEFVGCPPZUACGY-UHFFFAOYSA-N 442.544 5.394 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OC 733615838 ZIBSCVIHYXAQKE-FQEVSTJZSA-N 431.492 5.490 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cccc(Sc3ccccc3)c2)ccc1OC 733632651 JROVAECWLDTHEP-HXUWFJFHSA-N 447.560 5.849 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Sc3nc(C)cs3)cc2)c1 733844235 UJZAYADOSGAKCI-GOSISDBHSA-N 438.578 5.605 30 20 IKED N#C[C@H](C(=O)COc1ccc(-c2ccccc2)cc1Cl)c1nc(-c2ccncc2)cs1 734081690 QIDDWNDOYVZCLK-LJQANCHMSA-N 445.931 5.781 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Oc2ccc(N3CCOC3=O)cc2)c1 735205715 GOSVFIHORBNNQC-UHFFFAOYSA-N 434.835 5.180 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)SCc1cc(Cl)ccc1OCC#N 735317796 FWHJIQARTIHQPR-CYBMUJFWSA-N 439.364 5.473 30 20 IKED N#C[C@H](C(=O)CCSc1ccc2c(c1)OCCO2)c1nc2cc(Cl)ccc2s1 739155507 IHCVZRLCVAHJIC-CQSZACIVSA-N 430.938 5.080 30 20 IKED O=C(/C=C/c1csc(Br)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1 741448359 WDMRXPQFFJHFSY-BJMVGYQFSA-N 425.369 5.123 30 20 IKED C[C@H](OC(=O)C(C)(c1ccccc1)c1ccccc1)C(=O)N(CCC#N)c1ccc(F)cc1 744966346 FAZFXORWSXVRPQ-FQEVSTJZSA-N 444.506 5.010 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)C(C)(C)c1ccc2ccccc2c1 745415981 NUGUYTLQKRFRMO-GOSISDBHSA-N 446.572 5.551 30 20 IKED CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 748834836 RYPWESAOZUWOGL-SBUREZEXSA-N 427.570 5.236 30 20 IKED C=CC[C@@H](NC(=O)C(=O)Nc1ccc(Sc2ccc(Cl)cc2)cc1)c1ccncc1 749724861 IZLBHVCOVNNLSH-OAQYLSRUSA-N 437.952 5.258 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Nc2cccc(NC(=O)C3CCCCC3)c2)cc1 749888476 RMPJKYZQOSWYQA-HXUWFJFHSA-N 432.568 5.261 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 750219793 VPKRZPIDZPNQCH-SFHVURJKSA-N 447.379 5.212 30 20 IKED CCCOc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3ccc(CC)cc3)cs2)cc1 750392069 LOXUZDBCNZOEJB-FQEVSTJZSA-N 433.533 5.122 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1noc(Cc2ccccc2)n1 752638174 XHCXLWQUFPROEO-WZONZLPQSA-N 437.503 5.199 30 20 IKED C/C(=C/C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1OC(F)F 753396451 OHHZNTUIQDOIEF-RXEWJAMOSA-N 435.455 5.563 30 20 IKED N#Cc1ccccc1C=C(C(=O)Nc1ccccc1Cl)C(=O)Nc1ccccc1Cl 755573176 RSPNZEFKGRZQDJ-UHFFFAOYSA-N 436.298 5.526 30 20 IKED O=C1/C(=C\c2nc(Cl)cs2)CC2(CCOCC2)C/C1=C\c1nc(Cl)cs1 759086094 ZFKAJQUFLNWNRI-JTAXDKCCSA-N 427.378 5.533 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)OCC#Cc1ccc(Cl)cc1Cl 760308425 JJFQZDSLXOSVCD-NSHDSACASA-N 433.257 5.067 30 20 IKED N#CCOc1cccc(CC(=O)O[C@H](CC(F)(F)F)c2ccc(Br)cc2)c1 760455686 PJCJWEMILGYGRM-QGZVFWFLSA-N 442.231 5.131 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)Nc3ccccc3Oc3cc(F)cc(F)c3)CCO2)c1 761874678 QHDGGVITQFKASY-HSZRJFAPSA-N 435.430 5.234 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)c1cccc(C(=O)c2ccccc2)c1 762049799 GJWOWQBXIMAWHL-VGOFRKELSA-N 437.524 5.416 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)CCO2)c1 762309347 FKLLFKNPZATSST-RUZDIDTESA-N 435.483 5.094 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1Cn1nc(-c2ccco2)n(Cc2ccco2)c1=S 765046657 GBCUWAITALCANG-NHCUHLMSSA-N 445.548 5.045 30 20 IKED COc1ccc(/C=C/C(=O)c2ccc(OC(F)F)c(OC)c2)c(OCc2cccnc2)c1 766492906 ZPXMCLRYPDIMJM-RMKNXTFCSA-N 441.430 5.175 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CC[C@H](c4ccc(C(F)(F)F)cc4)C3)o2)cc1 767129431 DGEJLAZQEGLDNA-SFHVURJKSA-N 440.421 5.379 30 20 IKED CC(C)(C)OC(=O)N1CCC(CSCC(=O)c2cn(CCC#N)c3ccccc23)CC1 767218730 HAKYQMUNNMWOJV-UHFFFAOYSA-N 441.597 5.118 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Nc3ccc(-c4ccccc4)cc3)n2)cc1 768124817 CBCDNZIILFEGTG-QFIPXVFZSA-N 425.513 5.732 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCc1nnc(-c2ccc(Br)s2)o1 768499017 NBBYACDXIABGPV-LLVKDONJSA-N 435.372 5.567 30 20 IKED C=CCn1c(C2CC2)nn(CN2CCSC[C@H]2c2cccc(C(F)(F)F)c2)c1=S 769782476 YSUGMPASILALHE-KRWDZBQOSA-N 440.560 5.244 30 20 IKED Cc1cc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)ccc1NC(=O)OC(C)(C)C 772148479 GBRKJEBOITYETL-UHFFFAOYSA-N 432.442 5.142 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 772637876 QNFXOFXOAWGNAQ-OAHLLOKOSA-N 437.286 5.174 30 20 IKED CCCC[C@@H](ON=C(C)C)C(=O)N1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 773671455 XHJUMQWNJHLYCV-XMSQKQJNSA-N 443.613 5.496 30 20 IKED N#CCCN(C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)C12CC3CC(CC(C3)C1)C2 776910089 XQWKEDJVKUSESX-UHFFFAOYSA-N 442.485 5.216 30 20 IKED C[C@@H](CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)C(=O)c1ccc(Cl)cc1 777311954 GNBGWVIVRUCPFB-WFASDCNBSA-N 444.890 5.827 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(O)(c4c(F)cccc4F)CC3)cc2)c1 779425636 JECCOLHSGFANDL-UHFFFAOYSA-N 449.457 5.144 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cccc4ccc(OC)cc34)n2)cc1 780327326 HAQDTLXBWBMNTI-JOCHJYFZSA-N 428.513 5.399 30 20 IKED CC(C)(C)OC(=O)N1CCCCC[C@H]1c1noc([C@H]2CCCN2c2ccc(C#N)cc2)n1 782227735 OQNRQHORLSSERN-VQTJNVASSA-N 437.544 5.135 30 20 IKED C[C@H](N[C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(-c2cccc(C#N)c2)cc1 782779416 YGZORHZNRVALFF-DLBZAZTESA-N 440.515 5.633 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 794493749 FPQBVYGUHLPYOQ-NSHDSACASA-N 440.308 5.171 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(C(=O)[C@H](C#N)c3nc4ccccc4s3)ccc21 796627505 BKKUIWRAJMACKL-KRWDZBQOSA-N 433.533 5.474 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)c1cc(C)n(Cc2ccccc2)c1C 801666121 MWUALWBFZNKKPS-UHFFFAOYSA-N 443.934 5.185 30 20 IKED COCCOCc1ccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)cc1 809151591 BUXHLOIZPSYXSB-OQKWZONESA-N 429.541 5.883 30 20 IKED Cc1ccc(-c2n[nH]cc2C=Nn2c(S)nnc2COc2ccc(C(C)(C)C)cc2)cc1 812423502 SZVNRYSOALVZFR-UHFFFAOYSA-N 446.580 5.024 30 20 IKED Fc1ccc(OCc2nnc(S)n2N=Cc2c(Cl)ccc(Cl)c2Cl)cc1 818280002 PPAFAMJXBSNJJQ-UHFFFAOYSA-N 431.707 5.127 30 20 IKED CC(=NOCC(=O)c1cc(C)n(Cc2ccco2)c1C)c1nc2ccccc2n1C(F)F 836979455 ZVFARLDZHGZXHZ-UHFFFAOYSA-N 440.450 5.115 30 20 IKED CCCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1cccc(C)c1 855186423 UQLVJFOGRITWNV-HXUWFJFHSA-N 447.608 5.399 30 20 IKED Cc1ccsc1CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1cccc2ccccc12 914538671 UJBYGBVGPJRXPH-HXUWFJFHSA-N 449.601 5.010 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1nc2ccccc2s1 915098133 IMRQGEIZLTUSRS-HNNXBMFYSA-N 443.475 5.858 30 20 IKED COc1cccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCCCC#N)c1OC 916621948 SSZFPDSCLWMDNP-MSUUIHNZSA-N 428.488 5.199 30 20 IKED CCOc1cccc2cc(C(=O)/C=C/c3csc(N(C(C)=O)c4ccc(C)cc4)n3)oc12 917559474 JMCDXWMGURLFIL-JLHYYAGUSA-N 446.528 6.177 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc3c(c2)OCO3)cs1 917561741 LVXLUWQJOFKBTI-VMPITWQZSA-N 426.881 5.106 30 20 IKED C=CCN(Cc1ccccc1F)Cn1nc(-c2ccc(F)c(F)c2)c2ccccc2c1=O 918182880 WNJJYAMYLLAYNG-UHFFFAOYSA-N 435.449 5.127 30 20 IKED CCc1cccc2c(C3CCN(C(=O)c4c(C)oc(-n5cccc5)c4C#N)CC3)c[nH]c12 918381057 RSGBPMRIZYXKSL-UHFFFAOYSA-N 426.520 5.314 30 20 IKED N#C[C@@H](C(=O)CCCOc1ccccc1F)C(=O)Nc1ccccc1Oc1ccccc1 918488440 YXTRMZBPFXMBMI-IBGZPJMESA-N 432.451 5.125 30 20 IKED Cc1cc(-c2noc(CCC(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)n2)ccc1F 918492262 PXIHEIZIXDLORC-AWEZNQCLSA-N 440.887 5.256 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3cccc4ncccc34)cc2)CCC1 1786345857 WMJMPMXZAZJDFC-LJQANCHMSA-N 427.548 5.124 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)/C=C\c3c[nH]c4ccccc34)cc2)CCC1 1786781019 MPFZJPHDKZEHCK-WJDWOHSUSA-N 425.532 5.119 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnn(C(C)(C)C)c3)cc2)CCC1 1787070037 JCPSTZDHTOILIQ-UHFFFAOYSA-N 436.600 5.378 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(CC(C)C)nn3C)cc2)CCC1 1788361645 AGXVWTQONRKPII-QHCPKHFHSA-N 448.611 5.135 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc4c[nH]nc34)cc2)CCC1 1788454028 YCPNXHCYIPXGNM-NRFANRHFSA-N 428.536 5.079 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccoc3C(F)(F)F)CCC2)cc1 1789454422 YGOATINVCYAHPV-SFHVURJKSA-N 446.469 5.815 30 20 IKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccc(Cl)cc2)o1 1796964054 UFYROSATPPONDJ-QLIIJSOBSA-N 426.944 5.064 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(C)ccc3[nH]2)n[nH]1 1818565528 RZAWESZIUCENLE-QFIPXVFZSA-N 447.583 5.498 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3[nH]ccc3s2)n[nH]1 1818786439 DQTREKIFBNHQJV-KRWDZBQOSA-N 439.585 5.251 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2c[nH]c3cc(C)ccc23)n[nH]1 1823564937 CLKFTFHTEPRSRH-OQQATXBSSA-N 445.567 5.117 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)ccnc2Cl)CC1 1823750333 HHXYQTNSVCWKFV-IBGZPJMESA-N 449.998 5.100 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 1824144875 KWSIHALNMAFHJS-NXCFDTQHSA-N 434.624 5.178 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 1829976449 TUHVYPMUTJYCIW-HRAATJIYSA-N 437.411 5.439 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)c(OC)c2)CC1 1832588760 BRWFILOUXWTQLP-JOCHJYFZSA-N 444.591 5.060 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2c(C)cccc2C)cc1 11153551 WFUUTDDZEMWYRR-UHFFFAOYSA-O 431.625 6.211 30 20 IKED C[C@@H](NC(=O)c1cccnc1Sc1ccc(Br)cc1)c1ccc(C#N)cc1 26127307 KVMUAUTZAFCRTP-CQSZACIVSA-N 438.350 5.358 30 20 IKED CC1CCC(C#N)(N(C)C(=O)[C@H](C)Sc2nnc(-c3ccc(C(C)(C)C)cc3)o2)CC1 26498319 VBBAZCOIRYIGHJ-COYMHYPVSA-N 440.613 5.446 30 20 IKED COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)Nc2sc(C)c(C)c2C#N)cc1 65048900 LUJRMISYCDRODI-UHFFFAOYSA-N 442.544 5.279 30 20 IKED CCn1c2ccccc2c2cc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)ccc21 97543640 FUQADIVJERCBDG-UHFFFAOYSA-N 438.531 5.480 30 20 IKED C[C@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 103324416 MNXSSASWMDCAND-AABCQZNVSA-N 445.592 5.036 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2nc(-c3ccco3)no2)cc1Cl 107875137 NZUISDHUUSAEKK-SFHVURJKSA-N 432.867 5.210 30 20 IKED N#Cc1ccccc1COc1cccc(CNCc2ccc(C(=O)N3CCCCC3)cc2)c1 238165152 BLCOVXLQRNRIGH-UHFFFAOYSA-N 439.559 5.053 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)cc1 302997507 HDORYPDHGJDBSF-UHFFFAOYSA-N 428.517 5.569 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)o1 303491198 LTGPXVOGDIGGCW-UHFFFAOYSA-N 443.478 5.370 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@@H](c2ccccc2)O1 409789699 HALDCYUZUYOFBV-IBVKSMDESA-N 441.531 5.326 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OCc2cccc(F)c2)cc1 410400924 KMIGNPDIRMWHHI-UHFFFAOYSA-N 431.511 5.398 30 20 IKED C=CCN(C(=O)c1ccc(C)cc1Cl)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 427122527 RPIWMMDYGPFXBV-UHFFFAOYSA-N 446.981 5.008 30 20 IKED CC(C)(c1ccc(NC(=O)C(=O)Nc2ccccc2SCCC#N)cc1)C(F)(F)F 429958356 NXAHYWPLLCBUHD-UHFFFAOYSA-N 435.471 5.109 30 20 IKED N#CCCC[C@@H](Nc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl)c1ccccc1 431484985 GECIHNZZMLWJCT-MRXNPFEDSA-N 447.848 5.147 30 20 IKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1sc2ccc(C#N)cc2c1C 431990098 DKRGQHHBCYNYGN-UHFFFAOYSA-N 440.528 6.286 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](Sc2cccc(Cl)c2)C1 433145801 IWZDSSYILAWOFA-QAPCUYQASA-N 432.014 6.133 30 20 IKED C=CCn1c(S[C@H](C)Cc2ccc3ccccc3n2)nnc1[C@@H]1COc2ccccc2O1 434799031 OANOKCDVVORJLV-HXOBKFHXSA-N 444.560 5.248 30 20 IKED C[C@@H]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)[C@H]1c1ccc(C(F)(F)F)cc1 438243294 ZZHOZUSGUXVJBO-WAIKUNEKSA-N 443.469 5.296 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438648077 JFUDIMZQUNVITD-UHFFFAOYSA-N 431.467 5.718 30 20 IKED CCCc1c(NC(=O)N2C[C@@H](C)C[C@H]2c2cccc(F)c2)cnn1-c1cccc(C#N)c1 439682152 LEPCTCHLKGWDHZ-XDHUDOTRSA-N 431.515 5.451 30 20 IKED Cc1c(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cnn1CCC(C)C 442192516 JGLRKIKLCMGLLE-UHFFFAOYSA-N 430.512 5.006 30 20 IKED CC(C)CC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1F 442878346 SSQWLRJMAFJVOR-SFHVURJKSA-N 446.507 5.296 30 20 IKED CC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1C 443526531 CQSNJKBMINSXMN-JQZCCEMDSA-N 433.577 5.368 30 20 IKED Cc1cc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)ccc1C(F)(F)F 443921184 DKXSPOTYNHTJCZ-UHFFFAOYSA-N 431.311 5.610 30 20 IKED N#CCc1ccc(OCc2cccc(N3C(=O)[C@H]4C[C@H](C5CCCCC5)CN4C3=O)c2)cc1 445907294 LPHMEZKVQBBGQN-WIOPSUGQSA-N 443.547 5.069 30 20 IKED C=C(C)Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)c1sc(-c2ccc(C)cc2)nc1C 460767993 GQHKREPUQLFWAI-UYAOXDASSA-N 437.613 5.643 30 20 IKED CCO[C@H](C)c1nc(CN(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cs1 463982263 LMNFYCNWXVIXTL-OAHLLOKOSA-N 439.512 5.316 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCc2nc(-c3ccncc3)cs2)cc1 464920344 VTYBGLKOLYOXTJ-UHFFFAOYSA-N 426.501 5.108 30 20 IKED COc1cccc(NC2CCN(C(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)CC2)c1 464983747 HROALCUVCQUGHD-UHFFFAOYSA-N 441.531 5.384 30 20 IKED CCN(C(=O)NCc1cc(C#N)ccc1F)[C@@H]1CCSc2ccc(Br)cc21 466194452 MDCBXZQABKDNRS-GOSISDBHSA-N 448.361 5.228 30 20 IKED Cc1nnc(-c2ccc(C(=O)N(Cc3ccc(Cl)cc3)c3cccc(C#N)c3)cc2)o1 468733914 NEFQGFKNCUUDKL-UHFFFAOYSA-N 428.879 5.417 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3cc4c(Cl)c(Cl)ccc4[nH]3)ccc21 470770804 BKSSDFHYCKVHCI-UHFFFAOYSA-N 441.318 5.310 30 20 IKED COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C(F)(F)F)ccc1F 471082820 ZLGJSLYCSMVKDX-UHFFFAOYSA-N 425.300 5.141 30 20 IKED Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 480971638 OETUGEOWWQYMKD-CQSZACIVSA-N 438.484 5.405 30 20 IKED Cc1ccc(OCCN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 481629807 SBQLZAZXVMPIDH-UHFFFAOYSA-N 433.483 5.128 30 20 IKED CCCc1c(NC(=O)N(C)[C@H](CC)c2ccccc2OC)cnn1-c1cccc(C#N)c1 482524147 HZXQDJDHYUTNNL-JOCHJYFZSA-N 431.540 5.320 30 20 IKED C[C@@H]1CN(Cc2ccccc2NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H](C)O1 482836076 CGARPIVHSAGZEZ-WOJBJXKFSA-N 441.531 5.212 30 20 IKED C[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(NC(=O)NC2CC2)cc1 483048258 ZVXBAUABZHUKIT-QGZVFWFLSA-N 440.503 5.125 30 20 IKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4cncnc4)cc3F)c2C#N)C1 483918825 WYZRLASMGHERPV-MRXNPFEDSA-N 434.540 5.619 30 20 IKED CCc1c(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cnn1-c1ccc(Cl)cc1 485322694 RYFZXSOUTVLTRE-UHFFFAOYSA-N 449.942 5.035 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nc(C(F)(F)F)cs1 488312347 JXZJCCSBAVZHOZ-LBPRGKRZSA-N 432.427 5.709 30 20 IKED COc1cccc(C[C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 497769297 PKBPDCZMTQHIHC-LJQANCHMSA-N 429.520 5.207 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H](C#N)c1ccc(Br)cc1 499415435 FBLYGXLNHCAPSI-MRXNPFEDSA-N 430.302 5.015 30 20 IKED CC(C)c1cccc(C(C)C)c1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 502663739 PEITTZSDINTRAK-UHFFFAOYSA-N 432.568 5.688 30 20 IKED CC(C)CCN(CCC#N)C(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 505178773 AGMMBGILODFZJZ-UHFFFAOYSA-N 442.357 5.103 30 20 IKED N#Cc1ccc(Cl)c(C(=O)N2CCCc3c(NC(=O)c4ccc(F)cc4)cccc32)c1 507755685 DNMSZAVPEVFPKK-UHFFFAOYSA-N 433.870 5.196 30 20 IKED COc1ccc(CNc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc1OCCCC#N 507832378 AKECVGSGGDRLHU-UHFFFAOYSA-N 430.430 5.194 30 20 IKED C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](c2nccs2)C1 508801221 KOKLBOLIQZRHFA-OAHLLOKOSA-N 432.018 5.250 30 20 IKED CN(C)c1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c(C(F)(F)F)c1 509182467 HLSJRMZHMHVIBF-UHFFFAOYSA-N 439.437 5.474 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC=C(c3ccccc3Cl)CC2)cc1 509725829 CPUUWZYWBHNFEN-UHFFFAOYSA-N 435.955 5.475 30 20 IKED CCN(CC)C(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 512003804 APWNRGHFDUMAME-GOSISDBHSA-N 437.609 5.505 30 20 IKED COc1ccc(CNc2cccc3cc(Br)cnc23)cc1OCCCC#N 512565668 RPZPVRXDEYIXMC-UHFFFAOYSA-N 426.314 5.301 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(Cc2ccccc2)CC1 512800929 BHPDIRYBVQFOPH-UHFFFAOYSA-N 426.520 5.009 30 20 IKED Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)s2)cc1 515178873 WDYFFPQKPFKGCG-LBPRGKRZSA-N 441.607 5.131 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 515538999 BYJNVQGMYRQWJD-HNNXBMFYSA-N 441.940 5.935 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(Cl)ccc3OC[C@@H]3CCCO3)cc2)nc1 517655974 HHPLMDMCVAMNTK-FQEVSTJZSA-N 449.894 5.209 30 20 IKED CC(C)N(C)Cc1cccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)c1 518356258 PQDWQBZGZQXONE-UHFFFAOYSA-N 429.589 5.480 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N(Cc3ccc4c(c3)CCO4)C3CCCC3)cc2)nc1 518382412 VQOGJYGCZCYFDJ-UHFFFAOYSA-N 439.515 5.265 30 20 IKED Cc1ccccc1C1(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCOCC1 518753671 XSYKHWMRBNGGJJ-UHFFFAOYSA-N 441.531 5.529 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 519424280 YGTHMATZHFUTMD-OAHLLOKOSA-N 448.514 5.207 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](n3cc(Cl)cn3)C2)cc1Cl 521695276 OERVVMLDQQCNSH-AZUAARDMSA-N 440.334 5.324 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)c2cccc(C)c2C)nnc1-c1ccc(Cl)cc1 522368353 KKYDOTGSYMBMRE-KRWDZBQOSA-N 441.000 5.371 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CN(Cc1cccnc1)c1ccccc1 522811679 FQHOSLRCOVCTFB-UHFFFAOYSA-N 449.514 5.094 30 20 IKED CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 523556756 LWVYWUNYZQJBSO-ISKFKSNPSA-N 432.955 6.396 30 20 IKED CCOc1ccc(-c2csc(NC(=O)c3cc(C4CC4)nc(SC)c3C#N)n2)cc1 523716846 GSPNUEAFCKJDST-UHFFFAOYSA-N 436.562 5.327 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C 524345253 CECQKPRRXIRZIQ-GFCCVEGCSA-N 448.832 5.037 30 20 IKED Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 524456192 WUFIAOCCJAAQFV-UHFFFAOYSA-N 429.373 5.251 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)cc1 525154956 ASAICSBFGYQCSL-UHFFFAOYSA-N 427.291 5.629 30 20 IKED Cc1ccccc1[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCO1 525226254 JGTXQRHOJKWVHB-ZCYQVOJMSA-N 445.950 5.909 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCCC[C@H]3c3ncc[nH]3)cc2Cl)c1 531774695 XQWWJSGQSCKPLQ-FQEVSTJZSA-N 435.915 5.273 30 20 IKED CC[C@H](C)n1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1C1CC1 534073404 RXFBOEQPJZMZJC-INIZCTEOSA-N 432.499 5.574 30 20 IKED C=CCC[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(C(F)(F)F)cc1 537128932 ZRHLVOGPKNGVFW-GOSISDBHSA-N 432.402 5.461 30 20 IKED CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 542039499 UIBNVCVBMNFFIX-UHFFFAOYSA-N 441.900 5.058 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1C(=O)c1ccc(F)c(F)c1 542150522 WXOAUZGCBHHVHM-HNNXBMFYSA-N 436.483 5.700 30 20 IKED Cc1sc([C@H](C)NCc2nnc(-c3ccc(C#N)cc3)o2)nc1-c1ccc(Cl)cc1 542574572 PEQNIYBKIHYYDG-ZDUSSCGKSA-N 435.940 5.544 30 20 IKED C[C@@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1nc(C(C)(C)C)cs1 542957573 PMXRHOXAHYBZEI-GFCCVEGCSA-N 428.949 5.034 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)C2CC2)cc1 544250939 PSMNNDVBXWGTRI-UHFFFAOYSA-N 444.922 5.660 30 20 IKED C[C@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 554147269 URZVZWCSELBFNP-OXJNMPFZSA-N 449.605 5.707 30 20 IKED CC(C)CN(C(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1)c1ccc(C#N)cc1 561053841 YVQWLNMPBPEDMK-UHFFFAOYSA-N 436.943 5.258 30 20 IKED N#Cc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccncc2)c(C(F)(F)F)c1 570435370 NTZHUGFQXZCBTK-UHFFFAOYSA-N 433.437 5.115 30 20 IKED N#CC1(c2ccc(C(=O)N[C@@H](c3cccc(C(F)(F)F)c3)C3CCOCC3)cc2)CC1 586838174 BOAJYXDMEDYEQH-OAQYLSRUSA-N 428.454 5.158 30 20 IKED COc1ccc2c(CC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)coc2c1 603673254 RVFVDDAFBCABJX-JOCHJYFZSA-N 430.891 5.931 30 20 IKED COc1ccc(-c2nnc(S[C@@H](C#N)Cc3ccccc3)n2C2CCCCC2)cc1OC 603982908 AQOOGOCFXWBPEX-OAQYLSRUSA-N 448.592 5.694 30 20 IKED N#C[C@H](Cc1ccccc1)Sc1nc2ccccc2c(=O)n1CCCc1ccccc1 604076016 PMMNLWFMWOZRMM-QFIPXVFZSA-N 425.557 5.256 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)ccc1OCc1ccc(Cl)cc1 605363607 OKJZGDQCVJVXLQ-IBGZPJMESA-N 445.906 5.602 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)cc1 608843240 LAMAFHWBLFURPV-FTJBHMTQSA-N 443.522 5.329 30 20 IKED Cc1nc(CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2ccc(F)cc2)cs1 609057431 ODWIOFWQDWTMNN-UHFFFAOYSA-N 447.491 5.481 30 20 IKED CCN(C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H](C)c1cccc(C(F)(F)F)c1 609401941 LSPLOLQQGZOIEN-HZPDHXFCSA-N 435.515 6.572 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 609401970 ODRNJCAXNFGAJQ-LSDHHAIUSA-N 437.487 5.762 30 20 IKED Cc1cccn2cc(-c3ccc(NC(=O)c4ccc(Oc5ccc(C#N)cn5)cc4)cc3)nc12 609515972 WTUOFAXEZXDLLV-UHFFFAOYSA-N 445.482 5.621 30 20 IKED COc1cc([C@@H](C)Nc2nc(C(F)(F)F)ccc2C#N)ccc1OCc1ccccc1 609669689 GSGOWRWFSWVLRZ-OAHLLOKOSA-N 427.426 5.733 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N(Cc3ccc(F)cc3)CC3CC3)c2)c1 609683324 OJCZBGSYPHDJIU-UHFFFAOYSA-N 442.494 5.394 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCCO[C@@H](c3ccccc3)C2)c1 609723904 LMNJNOKAMJVJNX-XMMPIXPASA-N 432.907 5.608 30 20 IKED Cn1ccnc1C[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1ccccc1 610493781 YAUQHJWJQIJGII-QHCPKHFHSA-N 438.556 5.157 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)c(Cl)c1 611094211 ANXQVWYARZBYNV-UHFFFAOYSA-N 425.197 5.322 30 20 IKED COc1ccc(CN(C(=O)NCc2ccc(C#N)cc2F)[C@H]2CCCC[C@H]2C)cc1OC 611327597 LNESYLOGQLQFGK-VGSWGCGISA-N 439.531 5.005 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)NCc1ccc(C#N)c(Cl)c1 619757255 IQSKOJMNRZVWNI-ZDUSSCGKSA-N 428.920 5.343 30 20 IKED N#C[C@H](C(=O)c1cncc(Br)c1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 642281605 SUPFOPZHRYSNPY-KLXDDXCJSA-N 442.382 5.258 30 20 IKED CC(C)(C)[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)cc1F 675204255 JHKOKVYMVFFRJT-ZIBATOQPSA-N 446.382 5.824 30 20 IKED COc1ccc(C(=O)CCCCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 680571903 VHLJMFQBKKBCQH-UHFFFAOYSA-N 429.476 5.136 30 20 IKED C=C(C)[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)c(F)c1 681329823 RDSRCAJUHZOQHR-TYNCELHUSA-N 430.339 5.354 30 20 IKED O=C(Nc1cc(-c2ccccc2F)on1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 683969036 YDZVFZUZXFNGIJ-URLYPYJESA-N 439.331 5.512 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C\c3csc(-c4ccccc4)n3)SC2=S)cc1Cl 726626204 AYLPAZCDGPCGPJ-CAOOACKPSA-N 439.974 5.741 30 20 IKED COc1ccc(NC(=S)Nc2ccccc2C#N)cc1OCc1ccc2ccccc2n1 727980168 LIJQMKKEYIHUPA-UHFFFAOYSA-N 440.528 5.503 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2Cl)c1 727999909 WKRQIYCSZDREJN-UHFFFAOYSA-N 430.847 5.149 30 20 IKED CN(C)c1ccc(CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C2CC2)cc1 729571314 TZUUNVKIPAIZPE-UHFFFAOYSA-N 426.520 5.613 30 20 IKED COc1ccccc1C/C(C)=C/C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 730218025 DZROEHYOJDWVOK-BZCZDHRTSA-N 426.516 5.144 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nc(-c2ccccc2)cs1 730664365 GOLAGFBBCFVSSW-JPYJTQIMSA-N 438.556 6.348 30 20 IKED COc1cc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)ccc1OC(C)C 731400498 PQEAOBPZOLYJRA-UHFFFAOYSA-N 431.492 5.468 30 20 IKED C=CC[C@@H](NC(=O)CSc1ncnc2scc(-c3ccccc3)c12)c1ccncc1 734456662 ADSDPZLOOZVPMS-LJQANCHMSA-N 432.574 5.279 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@](C)(C#N)CCc2ccccc2)c(Cl)c1 740825411 LGYITZPKJVXWSM-HSZRJFAPSA-N 427.932 5.332 30 20 IKED CC(=O)N(c1nc(/C=C2/C(=O)c3c(O)ccc(F)c3[C@@H]2C)cs1)c1ccc(F)cc1F 746015030 KQPFOCPUBUIPQY-WWNSAXIVSA-N 444.434 5.334 30 20 IKED CCn1c2ccccc2c2cc(/C=C\C(=O)c3ccc(S(C)(=O)=O)c(OC)c3)ccc21 747061391 JXJITIGKYQSAJN-RAXLEYEMSA-N 433.529 5.123 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)C(=O)c1cccc(F)c1 747105459 APASWLXAXRTRHV-IAQYHMDHSA-N 434.414 5.540 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)cc1 747204439 JPHAIMCPLRCEAW-NRFANRHFSA-N 427.435 5.157 30 20 IKED N#CCn1cc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccccc2Cl)CC3)cn1 747433605 LEECQOXCMLOBFZ-GHRIWEEISA-N 439.906 5.347 30 20 IKED CCOc1c(Cl)cc(C=NO[C@@H](C)C(=O)Nc2cccc(Cl)c2C)cc1OC 749539138 WWFHRFPRCXNPLH-ZDUSSCGKSA-N 425.312 5.087 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1C#N 752299667 RDJNILYVWYMUGU-SFHVURJKSA-N 435.509 5.105 30 20 IKED N#Cc1cc(NC(=O)c2cc(Cl)ccc2SC2CCCC2)c(Cl)c([N+](=O)[O-])c1 754363630 BMQGBEWEFNNUMH-UHFFFAOYSA-N 436.320 6.060 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1C)c1ccccc1 754499036 LKPISIAYLVWUFH-HXUWFJFHSA-N 437.540 5.104 30 20 IKED C[C@@H](NCc1ccc(OCC#N)cc1)c1nc(-c2ccc(Br)cc2)cs1 754953997 BOPDPEGGGHMRKD-CQSZACIVSA-N 428.355 5.326 30 20 IKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C2CC(F)(F)C2)c1C 757885787 LJKQTWVHCFCMLH-IBGZPJMESA-N 443.519 5.061 30 20 IKED COc1cccc(Cc2cnc(NCc3cn(CCC#N)nc3-c3ccccc3)s2)c1 758444474 JUVCCZFLAKFAQX-UHFFFAOYSA-N 429.549 5.132 30 20 IKED C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl)c1cccc(C(=O)c2ccccc2)c1 762027404 YNKZTGJTMOPNES-OXJNMPFZSA-N 430.891 5.022 30 20 IKED N#C[C@@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccc(OC(F)(F)F)cc1 768140258 LXNAJLDVGWXEQB-JOCHJYFZSA-N 448.404 5.190 30 20 IKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1ccc(O[C@@H](C)C#N)cc1)CC2 768180459 PRLUHSRPQSTZLQ-GKVSMKOHSA-N 434.561 5.204 30 20 IKED CCn1c(NC(=S)Nc2ccc(C#N)c(Cl)c2)nc2cc(Br)ccc21 768293991 FZFUIMFCADOPAH-UHFFFAOYSA-N 434.750 5.153 30 20 IKED COc1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)cc1OCc1ccncc1 770489908 VBRKLCCGMUVEOA-UHFFFAOYSA-N 439.519 5.058 30 20 IKED Cn1ccnc1COc1ccc(C(=O)/C=C\c2ccc3ccc(Br)cc3n2)cc1 771525564 DNODDXJIJMUZRD-FLIBITNWSA-N 448.320 5.206 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C[C@@H](O)c3cc(Cl)cc(Cl)c3)cn2)cc1 772590479 AEVCHBDFUDOOPS-LJQANCHMSA-N 428.275 5.115 30 20 IKED N#C[C@@H](C(=O)CN(Cc1ccccc1)c1ccccc1)c1nc2ccccc2n1C(F)F 772641554 RHUXTQVZGYZWBU-FQEVSTJZSA-N 430.458 5.314 30 20 IKED COc1ccc(CN(C)C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1F 775983073 HHLPJAHXYSJQIZ-MRXNPFEDSA-N 438.343 5.298 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CSc3cc(C)c(C)cc3C2=O)cs1 777470922 WVJRQSSRSAHHRF-WQRHYEAKSA-N 434.586 6.125 30 20 IKED CN(C)[C@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1c(F)cccc1Cl 778619031 DWDXLCZXAIMGIG-WYRIXSBYSA-N 449.885 5.360 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 780680501 FGXPIDCUEDHDGI-IAGOWNOFSA-N 446.482 5.252 30 20 IKED COc1cccc([C@H](NC(=O)Nc2ccccc2O[C@@H](C)C#N)c2cc(F)ccc2OC)c1 780681846 QRJFGZPVIZSMEJ-FYSMJZIKSA-N 449.482 5.045 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccc(C)o2)s1 781765675 QHVJHYLKXNDZOJ-ZDUSSCGKSA-N 428.897 5.248 30 20 IKED O=C(c1ccc(OC(F)(F)Cl)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 782767868 XUKDZCNMEUCACD-UWVGGRQHSA-N 425.703 5.057 30 20 IKED COc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 783355504 AFPPVCOOURMFOK-OAHLLOKOSA-N 432.423 5.163 30 20 IKED COc1ccc2c(c1)C(=O)/C(=C\c1csc(N(C(C)=O)c3ccc(F)cc3)n1)CS2 786053764 VLSVJENHZZXHTP-ZROIWOOFSA-N 440.521 5.347 30 20 IKED N#CCCn1cc(/C=C/C(=O)c2ccc(SCC(F)(F)F)cc2)c(-c2ccncc2)n1 788355255 MJHPATRYTDNTFI-QPJJXVBHSA-N 442.466 5.409 30 20 IKED N#Cc1cc(Br)cc(COC(=O)CCCc2ncc(-c3ccccc3)o2)c1 790858382 ASNNIKYPHDIBHE-UHFFFAOYSA-N 425.282 5.042 30 20 IKED C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 793121755 LAIALNNPRZWAPW-JXFKEZNVSA-N 431.442 5.742 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=S)Nc1ccc(OC(F)F)c(Cl)c1 795138770 IXAYLIWAQZFKSU-UHFFFAOYSA-N 428.936 5.494 30 20 IKED Cc1csc(SCc2ccccc2C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)n1 797567619 KGESQSGTLWWQBS-MRXNPFEDSA-N 427.620 5.988 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2CCC(F)(c3ccc(Cl)cc3)CC2)c1=S 799146074 XIJMNHFLTOVVGC-UHFFFAOYSA-N 443.979 5.234 30 20 IKED CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)cc1 799219279 ONINTJAXVJDHNU-MRXNPFEDSA-N 436.364 5.282 30 20 IKED C[C@H](OC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1nnc(-c2ccc(Cl)cc2Cl)o1 803925170 HKXHXNBPRGISGD-NSHDSACASA-N 448.281 5.636 30 20 IKED C[C@@H](OC(=O)C1(Cc2ccc(F)cc2Br)CCOCC1)c1cccc(C#N)c1 814595489 IKXIOUWDCJXEFY-OAHLLOKOSA-N 446.316 5.104 30 20 IKED Cc1cc([C@H](C#N)C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)nc(C)n1 915105899 JNSPYJPENVNCEZ-SFHVURJKSA-N 430.558 5.486 30 20 IKED C=CCN(C(=O)c1cc(Cl)c(Cl)n1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 915134776 XGGZMNNUJHIWOS-UHFFFAOYSA-N 437.308 5.196 30 20 IKED N#C[C@@H](C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)NC1CCCCC1 916895922 WVYCIQOAPPHBCN-GMAHTHKFSA-N 440.996 5.320 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 916936950 YFBFUFHXUQAMMK-CQSZACIVSA-N 431.851 5.011 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1nc2ccccc2n1C(F)F 917041610 VOXVJACPWYZLBV-OAHLLOKOSA-N 442.878 5.627 30 20 IKED FC(F)(F)c1cc(Cl)c(=S)n(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 918734377 IBNIOGTYYFWSAC-OCAPTIKFSA-N 446.766 5.910 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccs4)CCC3)cc2)c1 1792122637 PFQROQXMENEBRK-QGZVFWFLSA-N 429.545 5.437 30 20 IKED Cc1cc[nH]c1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792123239 PAAVYWAOPQTOFQ-SFHVURJKSA-N 426.520 5.012 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3ccoc23)[C@H]1c1cccnc1 1812227661 CCAZLELMWPQFQC-FYYLOGMGSA-N 445.563 5.140 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2C(C)(C)C)n[nH]1 1817709869 HMECXHRIPFUIMX-NQIIRXRSSA-N 449.599 5.177 30 20 IKED CCC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)CCC1 1818949435 IXUMIDPGYGPRSA-FQEVSTJZSA-N 442.680 5.033 30 20 IKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4sccc4s3)CC2)C1 1828546391 DATCMHHVOFAWIK-GOSISDBHSA-N 428.623 5.162 30 20 IKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)CC1 1830423776 XXFPMJXECGCHRO-REWPJTCUSA-N 447.664 5.014 30 20 IKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCCC(C)(C)C)CC1 1831574845 BVTVMWNZQBTFLN-JOCHJYFZSA-N 436.706 5.522 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2cccc(CC)c2)cc1 10174566 CVERDIRTIHFTEE-UHFFFAOYSA-O 445.652 6.447 30 20 IKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(C(C)C)n3C)c2C#N)C1 13995368 ADSYDXDBXVBGMG-CQSZACIVSA-N 445.658 5.144 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3csc(Cc4ccccc4)n3)s2)cc1 33150986 FVMBZSMNTSFJOP-UHFFFAOYSA-N 449.586 5.002 30 20 IKED CSCc1nc2ccccc2n1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 72025291 JIZGCZXHWVZNLT-UHFFFAOYSA-N 442.544 5.510 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nn(-c2ccccc2C)c2c1CCC2 109184491 JWKQUECORHYYHX-UHFFFAOYSA-N 449.514 5.289 30 20 IKED COc1ccc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)N(C)CCC#N)cc1 212459957 YZIMKMTWLDCHAY-CIJMEZBMSA-N 425.532 5.352 30 20 IKED Cc1nc(C(=O)Nc2ccccc2SC[C@H](C)C#N)nn1-c1c(Cl)cccc1Cl 303294505 NGAXAJFNTOBJTG-GFCCVEGCSA-N 446.363 5.387 30 20 IKED N#CC1(c2ccc(C(=O)N3CCC(F)(c4ccccc4OC(F)(F)F)CC3)cc2)CC1 410172734 FGRFGSAAEXWECF-UHFFFAOYSA-N 432.417 5.241 30 20 IKED CCc1sc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)nc1-c1ccccc1 428216227 OWZLUXLGXDPELW-UHFFFAOYSA-N 427.533 5.402 30 20 IKED N#CCCn1ncc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1-c1ccccc1 428314044 SVGUNTXGFWLVMD-UHFFFAOYSA-N 435.459 5.118 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2ccc(F)cc2F)cc1 431513800 NCGAAQDWXCWIEL-QHCPKHFHSA-N 439.506 5.538 30 20 IKED Cc1cc([C@H]2CCCN2C(=O)Nc2ncccc2OCCCC#N)ccc1Br 432429483 PJQDOBWKPMEPNR-GOSISDBHSA-N 443.345 5.204 30 20 IKED Cc1c(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cccc1-c1ncco1 432679452 PEYUPRJGZUWVKY-NRFANRHFSA-N 442.906 6.603 30 20 IKED Cc1cnc(C2CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2)s1 433507215 AOMLEKODURORST-UHFFFAOYSA-N 446.576 5.508 30 20 IKED Cc1nc([C@@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c2ccccc2F)no1 438030209 SNTDOJFYRRGHEO-QFIPXVFZSA-N 443.438 5.092 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)cc1 438652316 CDDMXJQLUSWGIL-UHFFFAOYSA-N 425.916 5.040 30 20 IKED CN1CCC(N(Cc2ccccc2)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 438661771 UPLBVBZOZNVAOM-UHFFFAOYSA-N 440.547 5.479 30 20 IKED Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 438922725 OFGNFYITBVGQIO-UHFFFAOYSA-N 439.515 5.246 30 20 IKED Cc1cccc2nc(C3CCN(CC(=O)Nc4ccccc4S[C@H](C)CC#N)CC3)oc12 444768391 WNZGJNHJKQXZCB-GOSISDBHSA-N 448.592 5.349 30 20 IKED N#CCCCn1cc(C(=O)Nc2n[nH]c(-c3cc(Cl)ccc3Cl)n2)c2ccccc21 445206349 ADPTXGLSVAAXMN-UHFFFAOYSA-N 439.306 5.289 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)CCCC(=O)c1ccc(Br)cc1 446102071 XRDSZAOFXOUXEC-UHFFFAOYSA-N 429.314 5.100 30 20 IKED N#C[C@@H](C(=O)c1cc(F)cc(C(F)(F)F)c1)c1nc(-c2c(F)cccc2F)cs1 446802614 QTGSLZXOMDREIG-LBPRGKRZSA-N 426.341 5.736 30 20 IKED Cc1ccc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)cc1NC(=O)c1ccccc1 460460611 JDLDNPXTORTXQL-UHFFFAOYSA-N 441.575 5.572 30 20 IKED Cc1cnc([C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)s1 466119654 YIJLEGWEOZVPNU-FPOVZHCZSA-N 436.968 6.033 30 20 IKED COCc1ccc([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)o1 467372076 ZAZZDBGXBLOAQF-XMMPIXPASA-N 445.519 5.554 30 20 IKED C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NCc1nnc(-c2ccc(C#N)cc2)o1 471620926 UXEVTLUCEAXNAM-HZPDHXFCSA-N 449.942 5.277 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)n1 472020917 HHJTWOBIGJRURY-UHFFFAOYSA-N 425.197 5.322 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCSC[C@H]2c2nccs2)cc1Cl 472103389 DUXOPUHHZBVOIC-KRWDZBQOSA-N 441.965 5.391 30 20 IKED C=C[C@](C)(CCOC)C(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C 473861739 CCOWMVQAFPYMOB-JLTOFOAXSA-N 437.403 5.287 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 475574517 OMLBXZCFAWVAJX-LJQANCHMSA-N 438.591 5.312 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CSc1nnc(C)n1-c1ccccc1OC 476078641 HTJVASIZIYWDHM-UHFFFAOYSA-N 436.581 5.167 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)C(=O)Nc1ccccc1CC 481402280 PIPOEWCEBZJENZ-GOSISDBHSA-N 436.581 5.033 30 20 IKED CCC(CC)[C@H]1C[C@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCO1 481653210 FOULSIMYLYPLJT-ILBGXUMGSA-N 435.568 5.437 30 20 IKED COc1cccc(CO[C@@H](C)C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1 483368665 BZKPWPODAWANQS-IBGZPJMESA-N 432.495 5.153 30 20 IKED C[C@H]1CN(c2ccccc2NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H](C)O1 483403617 HLFSJZKRDUUDJW-KDURUIRLSA-N 427.504 5.216 30 20 IKED CC(C)(C#N)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 483485220 MCAOJDXCOULBQO-QGZVFWFLSA-N 440.355 6.408 30 20 IKED N#C[C@H](C(=O)c1cc2sc(N3CCCC3)nc2s1)c1nc2cc(Cl)ccc2s1 483488566 CYWIOELBUKGEKR-LLVKDONJSA-N 444.994 5.711 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl 484793454 BKXPFNADPLJAEB-QHCPKHFHSA-N 442.918 5.442 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@H]3CCC[C@@H](c4ccccc4)C3)ccc21 487234132 IEFYGPUAKQKWPG-IRLDBZIGSA-N 430.552 5.117 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)cc1 487839380 JURSPWYZOUDGON-ZWKOTPCHSA-N 426.360 5.272 30 20 IKED C=CCn1c(SCCC(=O)Nc2c(C(C)C)cccc2C(C)C)nnc1-c1ccccn1 488886301 HADXJCMKFWIVNE-UHFFFAOYSA-N 449.624 5.894 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1-c1ccc(Cl)cc1 490513851 MYAMOTKTAXYTER-AWEZNQCLSA-N 438.314 5.348 30 20 IKED N#Cc1ccc(CN(C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)C2CC2)cc1 499820035 SARCAXKNNZSVRR-UHFFFAOYSA-N 429.467 5.311 30 20 IKED C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)o1 500123670 LPNIAUJTPRNHAS-VJUNAUMWSA-N 436.562 5.161 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCCNC(=O)c1ccc(Cl)cc1 500769513 JVXGXXCFKAZPNV-UHFFFAOYSA-N 447.922 5.461 30 20 IKED CC(C)Cn1nc(-c2ccccc2)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 501410783 VWQAJOHATCADME-UHFFFAOYSA-N 437.503 5.517 30 20 IKED CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(OCc2ccccc2C#N)c1 501976290 FJICTIYENZZKJO-UHFFFAOYSA-N 429.476 5.096 30 20 IKED CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 502460824 INLDEOWAUQUDFW-UHFFFAOYSA-N 433.518 5.014 30 20 IKED C[C@@H](c1ccccc1)N(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1ccccc1 502766337 PZBNWPKQRJYQTR-FQEVSTJZSA-N 432.545 5.172 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](CC1CCCC1)c1ccccc1 503676479 JMBYXCLAOJRDMQ-XMSQKQJNSA-N 435.593 5.457 30 20 IKED Cc1cc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)nn1CCC#N 504266452 IFRYGEKIXNPYQV-UHFFFAOYSA-N 429.307 5.243 30 20 IKED CCN(C(=O)CSc1ccc(C#N)cc1)[C@@H]1CCSc2ccc(Br)cc21 504616175 XPBGLFGPKRIUHV-GOSISDBHSA-N 447.423 5.498 30 20 IKED Cc1nc(CSc2ccccc2C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cs1 505991255 KMZQAVRCADYLHO-SFHVURJKSA-N 448.400 6.045 30 20 IKED C=CCn1c(Cc2ccc3ccccc3c2)nnc1N(C)Cc1csc([C@@H](C)OCC)n1 508865211 TZGBBIMKWLNHEJ-GOSISDBHSA-N 447.608 5.399 30 20 IKED CCOc1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c(C(F)(F)F)c1 509210098 JAIYVWAHSQCOOZ-UHFFFAOYSA-N 433.430 5.051 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 509875541 YRJPNRFGUXLSKH-UHFFFAOYSA-N 444.510 5.071 30 20 IKED C=CCN(C(=O)C[C@H]1CCO[C@@H](C(C)C)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514155770 KUJMPXXUVARYPC-OXJNMPFZSA-N 429.542 5.079 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@@H](c3ccccc3)c3nccs3)cc2)cc1 517647671 MOMLDZYCWVLQGG-QHCPKHFHSA-N 425.513 5.521 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCN(c4ncccc4C(F)(F)F)C3)c2C#N)C1 518172015 LEYICMFDOGDSFK-ZIAGYGMSSA-N 448.514 5.013 30 20 IKED CCN(Cc1ccccc1Br)C(=O)Nc1ccccc1S[C@H](C)CC#N 519780758 UUORSCPSRTUGIU-OAHLLOKOSA-N 432.387 5.897 30 20 IKED CC[C@H](C)n1ncc2c(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc(C)nc21 523230103 NYWSXEMVGHCYGG-KXBFYZLASA-N 440.532 5.196 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(CCc2ccc(O)cc2)CC1 532922643 JUHOIXMJOHIYSS-LJQANCHMSA-N 437.609 5.070 30 20 IKED CC[C@H](C)n1ncc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1C1CC1 534231743 AEFDNJWVIDLRMZ-INIZCTEOSA-N 447.514 5.965 30 20 IKED COc1ccc(Oc2ccc(NCc3cn(CCC#N)nc3-c3ccccc3)cn2)cc1 540803745 LNQZJNWJEAGQBP-UHFFFAOYSA-N 425.492 5.272 30 20 IKED Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 541499429 NUGCWDBFQVTDNZ-RBBKRZOGSA-N 427.508 5.226 30 20 IKED Cc1nccc(NCc2cccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)c2)n1 542608559 HILXKZSXWUESSJ-UHFFFAOYSA-N 449.514 5.622 30 20 IKED C[C@H]1C/C(=C\c2ccco2)c2nc3ccccc3c(C(=O)N3CCC(CC#N)CC3)c2C1 543839314 LDZGPQLLJBZLLV-ONZPZFSWSA-N 425.532 5.717 30 20 IKED C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 543887624 AEWUVOIXUUNWGE-QGZVFWFLSA-N 445.523 5.740 30 20 IKED C[C@H](NC(=O)N[C@@H](c1ccccc1)c1ccccn1)c1ccc(-c2cccc(C#N)c2)cc1 543936400 SLTFGTFEJUOPEJ-DCFHFQCYSA-N 432.527 5.770 30 20 IKED N#Cc1cc(C(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)cnc1C(F)(F)F 550091280 KVGSDMOWNFPSFO-UHFFFAOYSA-N 425.414 5.068 30 20 IKED C[C@@H](Cc1cnc2ccccc2n1)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 550453387 OVSZXVQUARRFOO-AWEZNQCLSA-N 444.482 5.472 30 20 IKED C[C@@](CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)(C(=O)O)c1ccccc1 553364580 SGUMQXXPAPEGQM-FQEVSTJZSA-N 436.455 5.082 30 20 IKED Cc1cc2cc(NC(=O)c3ccccc3Sc3ccccc3C#N)ccc2n(C)c1=O 553580539 GSEPZYBDCSYHKR-UHFFFAOYSA-N 425.513 5.122 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(OC(F)F)c(F)c2)cc1 555416285 JENDBCDRFARXOD-UHFFFAOYSA-N 426.394 5.324 30 20 IKED C=C1CCN(c2nnc(-c3cc(-c4ccco4)nc4ccccc34)n2C[C@H]2CCCO2)CC1 559096247 ZQWLCVMBKAPJRD-LJQANCHMSA-N 441.535 5.089 30 20 IKED Cn1c(Cc2cccs2)nc2cc(C(=O)Nc3ccccc3SCCC#N)ccc21 561127460 SOGLTASFSOFCTL-UHFFFAOYSA-N 432.574 5.484 30 20 IKED N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 561281974 ZCXYMTKZSNEKJP-NSHDSACASA-N 426.373 5.188 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 568142191 XKLBQVCUMCPTBY-FQEVSTJZSA-N 446.979 5.285 30 20 IKED CC[C@@H](c1ccccc1)c1nnc(Sc2c(C#N)cnc3c(F)c(F)c(F)cc23)o1 568427530 ARZZXLHSWZFVQK-ZDUSSCGKSA-N 426.423 5.600 30 20 IKED C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(Oc2cccnc2)cc1 573402342 FJNRPKGEFIAUTE-KRWDZBQOSA-N 446.576 5.365 30 20 IKED Cc1sc([C@@H](C)NCc2nnc(-c3cccc(C#N)c3)o2)nc1-c1ccc(Cl)cc1 574082635 VGQUYHXXCUETTD-CYBMUJFWSA-N 435.940 5.544 30 20 IKED CC(C)(C)OCc1cccc(CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1 579220854 OSWDBXBKBSRXSG-UHFFFAOYSA-N 430.508 5.382 30 20 IKED N#Cc1ccc(CN2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c(C(F)(F)F)c1 579417499 IXPWOXRFOQNGNN-HXUWFJFHSA-N 433.861 5.178 30 20 IKED C=CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H]1c1nc2ccccc2s1 580743142 UHZJDSGRLAEBCA-IBGZPJMESA-N 431.565 5.015 30 20 IKED N#CCc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 588987058 ZZEVGALOQDEOLZ-UHFFFAOYSA-N 434.293 5.020 30 20 IKED Cc1cc(C)n2nc(C)c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)c2n1 604193562 YJFWOQDTGMEGMV-UHFFFAOYSA-N 431.883 5.224 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ccc(Br)s2)n1)c1nc2ccccc2s1 606753995 OZUKQEAMDRVBOW-SECBINFHSA-N 446.376 5.734 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 609020710 PLSFEYJEDJKKJA-UHFFFAOYSA-N 428.423 5.039 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 609031790 MFSSDQKMCWEARA-QZTJIDSGSA-N 438.314 6.103 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ncc(-c2ccccc2)o1 609078914 CYINYRFEUWMYGN-UHFFFAOYSA-N 438.487 5.422 30 20 IKED CCC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609125038 ONIRXOPKNYZZCO-RZFNWQHOSA-N 437.971 5.409 30 20 IKED CCCCNC(=O)c1ccc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 609209624 FDXPXLBETCRXOB-UHFFFAOYSA-N 442.519 5.202 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1ccc(Cl)c(C(F)(F)F)c1 609369518 CRLAUAHIVWSEKW-LBPRGKRZSA-N 444.931 6.484 30 20 IKED Cc1ccccc1CN1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 609434305 RVLPZHKHTGNHQV-UHFFFAOYSA-N 440.547 5.399 30 20 IKED CCCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)[C@H](c1cccnc1)c1ccc(F)cc1F 609491507 SBVBJZPDWBATBV-BXKMTCNYSA-N 435.474 5.027 30 20 IKED COc1ccccc1[C@@H]1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1 609982495 SECWCRZZBXBIKP-GOSISDBHSA-N 432.907 5.642 30 20 IKED CC[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1cc(F)ccc1F 610142170 YZANUAUGJDWNAO-QFIPXVFZSA-N 434.446 5.362 30 20 IKED CN(Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 610335090 QLRDCBYIUQGEHE-JOCHJYFZSA-N 444.510 5.228 30 20 IKED N#Cc1cccc(CN2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c1F 611371726 KWSPHMINJZIQOP-XMMPIXPASA-N 434.559 5.386 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3c(C)nn(Cc4ccccc4)c3C)n2)cc1 613314265 HLSTULSEHWBZMQ-OAQYLSRUSA-N 426.545 5.470 30 20 IKED CCn1nc(C(C)C)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 613344626 KOAZWPQEMBDYKH-CQSZACIVSA-N 433.364 5.947 30 20 IKED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1[C@@H](C)c1ccccc1 614097067 WMZJMDBJLHPSBH-VQTJNVASSA-N 434.609 5.460 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC[C@H]1Cc1cccc(F)c1 615683208 ROLKXQDNFNHBII-ABFRBSLYSA-N 440.403 5.452 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cc1 619342774 AAHIMBWCQMUYFX-UHFFFAOYSA-N 431.458 5.184 30 20 IKED N#Cc1ccc(CNC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1Cl 619768208 VOVWOBLZXPDIOO-UHFFFAOYSA-N 435.858 5.213 30 20 IKED C=CCn1c(Sc2ncnc3scc(-c4ccccc4)c23)nnc1-c1ccoc1C 669673232 UDEVRPOAAPHPRH-UHFFFAOYSA-N 431.546 5.855 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)N(CCc1ccccn1)Cc1cccnc1 684682432 NHCMFRSOGGYNDI-UHFFFAOYSA-N 438.556 5.215 30 20 IKED C[C@H](/N=C1/NN=C(c2ccc3c(c2)CCC(=O)N3)CS1)c1ccc(Cl)cc1Cl 727172663 MIKZFTGKFUAPHF-NSHDSACASA-N 433.364 5.036 30 20 IKED N#C[C@H](C(=O)Cc1c[nH]c2cc(Cl)ccc12)C(=O)Nc1ccccc1Oc1ccccc1 727953839 PEESYLXUMMYBTN-HXUWFJFHSA-N 443.890 5.504 30 20 IKED CCN(C(=O)/C=C/c1ccccc1C#N)[C@H]1CCSc2ccc(Br)cc21 728845260 GHIIWXWEYXAXEF-VQFGERMISA-N 427.367 5.420 30 20 IKED Cn1c([C@H](C#N)C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)nc2ccccc21 730685474 IXHYMOGOQPHYRL-CYBMUJFWSA-N 428.439 5.011 30 20 IKED COc1ccc([C@H](NCc2ccc(OCC#N)cc2)c2ccccc2)cc1Br 731665796 FQHOOEKXPAHOJF-HSZRJFAPSA-N 437.337 5.239 30 20 IKED CCCOc1nc2ccccc2cc1/C=C\C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl 731768254 FOUMUAWFODXYAB-YUIUBULTSA-N 433.895 5.038 30 20 IKED CCN(C(=O)c1ccccc1OCC#N)[C@@H](c1cccnc1)c1csc2ccccc12 732570849 WQJWXMFLYNAOLK-DEOSSOPVSA-N 427.529 5.450 30 20 IKED C=CC[C@H](NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1)c1ccncc1 734360915 NWMYJPVCJNHDPK-DEOSSOPVSA-N 449.514 5.182 30 20 IKED Cc1ccc(C[C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2ccccn2)cc1 734683929 KINNCKZADGZARD-XTEPFMGCSA-N 446.554 6.151 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@H](C)[C@@H]2c2ccc(C)cc2)ccc1OC 739026615 WZLIONKNOCTILI-UWUFEASWSA-N 435.568 5.367 30 20 IKED C#CCOc1ccc(F)cc1NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 741642849 IBMDNVCUSNEEPS-UHFFFAOYSA-N 442.899 5.366 30 20 IKED O=C(/C=C/c1ccc(Br)cc1Cl)c1ccc(S(=O)(=O)CC(F)F)cc1 742435661 ZYKXDKHCLDYXQX-XBXARRHUSA-N 449.700 5.037 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(OCCc3ccccc3)CC2)cc1 743294628 RBXHBRANVUZXPW-HHHXNRCGSA-N 439.559 5.598 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 743447639 QNFYZRYXJSEWQI-WBVHZDCISA-N 431.945 5.039 30 20 IKED C[C@@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1C(F)(F)F 744075744 VUOMDEGLUMXLEN-YPMHNXCESA-N 436.405 6.087 30 20 IKED CC(C)c1ccc(-c2nc(C(=O)OCc3nnc(-c4ccc(C#N)cc4)o3)cs2)cc1 744546345 DCRLPCMAOCKJFG-UHFFFAOYSA-N 430.489 5.212 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1nc2ccccc2s1 747111901 QHKBZZPXLUDPKS-AWEZNQCLSA-N 444.368 6.146 30 20 IKED Cc1csc(SCc2ccc(C(=O)NC3CCN(c4ccccc4C#N)CC3)cc2)n1 747335731 FZNTUSKSYKLCLL-UHFFFAOYSA-N 448.617 5.014 30 20 IKED CC(=NNc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(Cl)cc1Cl 748086007 VTFVWIOOXWRYTH-UHFFFAOYSA-N 441.365 5.087 30 20 IKED C[C@@H](OC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccc(C#N)cc1 748685425 QCCUQFJTPOVLAW-HXOBKFHXSA-N 432.907 5.377 30 20 IKED Cn1c(CC(=NOCc2ncc(-c3ccccc3F)o2)c2ccccc2)nc2ccccc21 754294026 YEZFNEPXPSJZJI-UHFFFAOYSA-N 440.478 5.531 30 20 IKED CCOC(=O)C1C/C(=C/c2cnc(C(C)C)s2)C(=O)/C(=C/c2cnc(C(C)C)s2)C1 758434424 RQPVBQMHEXJLEX-CKOAPEAFSA-N 444.622 5.856 30 20 IKED COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)c2)cc1 759119779 CNTYCIWHWSFQNZ-VGOFMYFVSA-N 440.499 5.073 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CCc3ccc(C(C)C)cc3C2=O)cs1 760230616 USWMHFQQTMJVFK-XDHOZWIPSA-N 434.536 6.303 30 20 IKED CC(CSc1ccccc1[N+](=O)[O-])=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1 765578967 VTSQMFOGYKYCFE-UHFFFAOYSA-N 448.430 5.046 30 20 IKED CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)ccn1 766147373 DHYDNAOATSJFHZ-UHFFFAOYSA-N 444.491 5.023 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(N2CCCc3ccccc32)cc1 769946378 SJJDCZIQUTWULD-HXUWFJFHSA-N 429.907 5.385 30 20 IKED C[C@@H](N[C@@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1)c1ccc(OCC#N)cc1 776171636 ONTPLLKBOAXBKW-CLOONOSVSA-N 445.563 5.659 30 20 IKED O=C(/C=C/c1cn(Cc2cccnc2)nn1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 783705325 IQODZFRAZBABRI-BQYQJAHWSA-N 440.450 5.365 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)[C@@H](C#N)C(=O)N[C@@H](CC)c2ccccc2)c1 787038833 DDZYJRICELCNMK-RPWUZVMVSA-N 426.516 5.342 30 20 IKED O=C1/C(=C\c2ncc(C(F)(F)F)s2)CSC/C1=C/c1ncc(C(F)(F)F)s1 788348524 FVWPWWMBTYRLRC-NDBDHSCESA-N 442.431 5.420 30 20 IKED C=CC[C@]1(C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)CCCN1C(=O)OC(C)(C)C 790650443 JMSRMUGKLDVHAE-WBBHLRKXSA-N 448.629 5.018 30 20 IKED CC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)[C@H](C#N)c2nccc3ccccc23)CC1 792094545 FOVFWIPPIQTKQT-OAQYLSRUSA-N 444.535 5.098 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 793947188 FUHSLYXBMWZEIX-GOTSBHOMSA-N 443.547 5.069 30 20 IKED COc1ccc(C)cc1NC(=O)[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1ccccc1 795982596 RCJHZHHEVSILFP-BKMJKUGQSA-N 442.515 5.314 30 20 IKED CC(C)(C#N)c1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)c(Cl)c2)cc1 796583111 SGSQGXMRERWABS-UHFFFAOYSA-N 443.890 5.194 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(OC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1 797081564 RCUWIMDSGPHGFF-UHFFFAOYSA-N 448.881 5.265 30 20 IKED CC(C)N1CCc2c(c3ccccc3n2CC(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)C1 797568768 WGSMORBRPVPBEW-GOSISDBHSA-N 434.609 5.038 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CCC2(F)CCC2)C1=O)Nc1ccccc1F 807931270 POMCNPVSYXEDRL-IBGZPJMESA-N 443.519 5.068 30 20 IKED Cc1ccc(N(CCC#N)C(=O)CN[C@@H](C)c2ccc(Oc3cccnc3)cc2)cc1C 808762593 DPXQEXOFSGVRQO-NRFANRHFSA-N 428.536 5.088 30 20 IKED C#CCN(C(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1)C1CCCC1 810187688 DDENALOSAZSKCU-UHFFFAOYSA-N 429.520 5.115 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1cc2ccccc2c(Cl)n1 915135649 NDOIUUKSLLGDGM-UHFFFAOYSA-N 431.673 5.140 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=NNc1ccc(Cl)c(C(=O)O)c1 916260345 WWOLEWSNOOWGNK-UHFFFAOYSA-N 437.714 5.344 30 20 IKED COc1ccccc1-c1nnc(S)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 916277635 NZQRQEIHYYUHFN-UHFFFAOYSA-N 430.533 5.012 30 20 IKED COc1ccc2ccccc2c1C=Nn1c(C)nc2scc(-c3ccccc3)c2c1=O 916309722 LWRDSKJZOUGBBE-UHFFFAOYSA-N 425.513 5.477 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)s2)o1 916930612 DSLJRKVYKUWOSQ-LBPRGKRZSA-N 434.304 5.288 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c1 919811008 FJBPXEIOYQQWCO-UHFFFAOYSA-N 445.906 5.170 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ncsc4[nH]3)CCC2)cc1 1786102781 ACAPXNCROMWHQX-UHFFFAOYSA-N 434.565 5.141 30 20 IKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cncs3)CCC2)cc1)c1ccccc1 1789602670 ZCJTYUSHOMUDST-JOCHJYFZSA-N 443.572 5.088 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3occc3Br)CCC2)cc1 1791247616 AGICUZAXUTVKPH-CQSZACIVSA-N 431.330 5.002 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)C2 1798337627 DUYQOEFYKBTKSI-WOZUAGRISA-N 449.422 5.333 30 20 IKED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1 1803608274 QBHSKOLTLGIPRV-PUHATCMVSA-N 447.689 5.038 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc(-c4ccccc4)no3)CC2)C1 1804862165 KCUAMDSLIGPXJR-UHFFFAOYSA-N 449.595 5.179 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2csc(-c3ccccc3)n2)n[nH]1 1818363099 VQTHLNFTYYPWJU-OXQOHEQNSA-N 449.580 5.051 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)Nc2ccccc2)CC1 1828847040 HGCFKLHAKVIWLQ-ZJSXRUAMSA-N 439.644 5.099 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1831370856 XAQZGXNAAFPNMM-RLWLMLJZSA-N 447.623 5.436 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc(F)c2F)CC1 1832635842 VRPFVLWFNWOJCJ-JOCHJYFZSA-N 448.529 5.106 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2ccc(C)cc2C)cc1 10168390 SESYUZLTUFGPFG-UHFFFAOYSA-O 434.541 5.112 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)Nc1c(C)cccc1C 11153382 BGUKWQIOKMBQDQ-UHFFFAOYSA-O 431.625 6.130 30 20 IKED N#CCSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)c2ccccc12 21178946 VEACRHQHWFWNQK-UHFFFAOYSA-N 442.569 5.643 30 20 IKED C[C@@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1cccc(C(F)(F)F)c1 24893530 WGZDCOKWECVQGJ-LLVKDONJSA-N 445.338 5.540 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1 63162631 VHESBLXXQLSHDA-UHFFFAOYSA-N 425.579 5.831 30 20 IKED C=CCN(C(=O)c1ccc(N(C)CCC)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 63897548 UYLWYCGCQJCPDA-UHFFFAOYSA-N 436.537 5.397 30 20 IKED CN(C(=O)c1cc2cc(Br)cc(Br)c2o1)c1cccc(C#N)c1 64395891 KYAXTGCQQRTJMS-UHFFFAOYSA-N 434.087 5.106 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3cccc(OCCCC#N)c3)cc(-c3ccccc3)nc21 71975154 YXSZSRIUPHJFJR-UHFFFAOYSA-N 439.519 5.614 30 20 IKED CC(C)(C)C(=O)/C=C1/SCC(=O)N1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 109013105 WXLRRKIBRWFHJE-CAOOACKPSA-N 440.512 5.361 30 20 IKED C=CCn1c(SCc2nc(-c3ccsc3)oc2C)nnc1-c1ccc(Cl)cc1 116679486 JQMJQASGBYNEMM-UHFFFAOYSA-N 428.970 6.102 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1cccc(C)c1 255935273 WNZNFRGETNCUBK-LJQANCHMSA-N 434.609 5.991 30 20 IKED Cc1ccc(-c2nc(CCNC(=O)c3cccc(OCc4ccccc4C#N)c3)co2)cc1 303178213 SJIVZJIMLUQXIO-UHFFFAOYSA-N 437.499 5.073 30 20 IKED N#Cc1ccccc1NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2 409724168 WLASLEIMRCLEIZ-AQTBWJFISA-N 445.478 5.574 30 20 IKED N#CC[C@@H](CC(=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1)c1ccccc1 410172462 QREYMRWPGBXHKF-SFHVURJKSA-N 434.433 5.460 30 20 IKED C=CCCc1ccccc1NC(=O)CCc1nc(-c2cc(Cl)c(OC)c(OC)c2)no1 410343389 FRJQAPUMDHYSDD-UHFFFAOYSA-N 441.915 5.097 30 20 IKED N#CCSc1cccc(C(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccc(F)cc2)c1 429788828 QUHCQOIDZDUZGN-HSZRJFAPSA-N 445.519 5.042 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Br)cc([N+](=O)[O-])c3)n2)cc1 431167093 BHZZNCIKJPBOSJ-MRXNPFEDSA-N 442.294 5.279 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC(Cc3ccc(F)c(F)c3)C2)cc1 438604861 VGPWCHMBNFRCGZ-UHFFFAOYSA-N 449.457 5.344 30 20 IKED CC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1C 443526532 CQSNJKBMINSXMN-YZOPDKEQSA-N 433.577 5.368 30 20 IKED CN(Cc1ccccc1NC(=O)c1c(F)cc(C#N)cc1F)C(=O)c1cc2ccccc2o1 446037758 AYINKPZMIVDSQC-UHFFFAOYSA-N 445.425 5.107 30 20 IKED C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H]1c1nc2ccccc2s1 460784046 QVODTUFFZNVEGL-IBGZPJMESA-N 446.536 5.381 30 20 IKED C[C@H](CC(=O)c1ccccc1F)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 463287581 NBSNQLQDAYWOJN-GOSISDBHSA-N 430.479 5.318 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)c1 464731223 VMDJCXVXUHGLQQ-UHFFFAOYSA-N 446.404 5.090 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1 465416948 LLQPTFASENUTNC-LJQANCHMSA-N 442.425 5.894 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@H]3CCO[C@H]3c3ccccc3)c2)cc1 466074643 VLSODEUDHZUEBW-BVAGGSTKSA-N 441.531 5.231 30 20 IKED COc1ccccc1O[C@@H](C)CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 466305203 DMJACUFECFEDTN-SFHVURJKSA-N 431.492 5.257 30 20 IKED CC[C@H]1Cc2ccccc2CN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 467167534 CZFGSCAIWLOEJB-DEOSSOPVSA-N 425.532 5.700 30 20 IKED Cc1ccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)c(O[C@@H]2CCOC2)c1 468409382 TWLLYCMCWFJGAY-OAQYLSRUSA-N 444.556 5.116 30 20 IKED O[C@H](CN[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)CC(F)(F)F 469768423 KMZAYSDJQMYDEV-UWVGGRQHSA-N 437.224 5.231 30 20 IKED C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470567208 ZYELXYKSGPDKIB-KRWDZBQOSA-N 438.959 5.018 30 20 IKED CC(C)n1c([C@H]2CCCN2CC(=O)Nc2ccccc2SCC#N)nc2ccccc21 471033072 NEUFUDNSUMRCSI-OAQYLSRUSA-N 433.581 5.008 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 471196291 UBVRUKISEREUEX-UHFFFAOYSA-N 433.474 5.152 30 20 IKED C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)C[C@H](CC#N)c1ccccc1)OCCO3 474413997 PSYRAOZWIYWLSM-FPOVZHCZSA-N 430.548 5.260 30 20 IKED Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccccc3S[C@@H](C)CC#N)n2)n1 475776906 UAJASXGSPIKJAX-HNNXBMFYSA-N 425.945 5.184 30 20 IKED Cn1cc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c(-c2ccc(Cl)s2)n1 475822525 VJUYJNMKBPCMAO-LBPRGKRZSA-N 425.728 5.103 30 20 IKED COc1cc(C[S@@](=O)CCc2ccccc2Cl)ccc1OCc1cccc(C#N)c1 476878373 FFHQHDHTCMEXLK-PMERELPUSA-N 439.964 5.291 30 20 IKED O=C(N[C@H]1C[C@@H]1C(F)F)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 481438274 IBNSTMAIDZLIJO-LPEHRKFASA-N 444.244 5.280 30 20 IKED CC(C)n1c([C@@H]2CCCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)C2)nc2ccccc21 482155163 HMFBTIRLZHMTEZ-HXUWFJFHSA-N 430.552 5.052 30 20 IKED CN(CC(F)F)C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482340864 ACXVCLLGWIPWFR-SNVBAGLBSA-N 432.233 5.234 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(N3CCCCC3)nc2)cc1 483023355 KEMFSFLLSQHTSZ-UHFFFAOYSA-N 442.588 5.166 30 20 IKED Cc1cc(-c2cc(C(=O)[C@H](C#N)c3nccc4ccccc34)c3cnn(C(C)C)c3n2)c(C)o1 483208661 ZCJLVTGZIATUFW-JOCHJYFZSA-N 449.514 5.927 30 20 IKED Cc1ccc(-n2ncc(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c2C(C)C)cc1 484805531 HJSHVRZNFGRIEH-UHFFFAOYSA-N 425.536 5.497 30 20 IKED C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C 485518364 MNUNTIZKQMOOEO-JCURWCKSSA-N 435.387 5.039 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(CN2CCCC2=O)cc1 500954704 NDZAFOUWRBOMNK-UHFFFAOYSA-N 427.529 5.084 30 20 IKED CC(C)NC(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 503334334 BHAOZSFPSDUIMV-UHFFFAOYSA-N 435.471 5.102 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(Cl)c(-c4nnc5n4CCCCC5)c3)CC2)c1 505104590 KTBHTBFYRAWWNG-UHFFFAOYSA-N 449.917 5.006 30 20 IKED Cc1ccccc1Nc1nc2sc(C(=O)N(CCC#N)Cc3ccccn3)cc2s1 505213915 TWODAZMOGPSAPJ-UHFFFAOYSA-N 433.562 5.361 30 20 IKED Cc1nc(-c2ccc([C@@H](C)NC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)cc2)cs1 505249677 UEEUWEKTFPYQEZ-MRXNPFEDSA-N 448.567 5.223 30 20 IKED Cn1cc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c(C2CCCCC2)n1 505313256 FNNGDSHMYLXFOD-DEOSSOPVSA-N 428.536 5.041 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@H](NCc1ccccc1C(C)(C)C#N)C(F)(F)F 509083390 YHXOOAALBPEMNU-QFIPXVFZSA-N 426.486 5.684 30 20 IKED C=CCN(CCc1ccccc1)Cc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1 512036406 HYVOFUWQGFQAKZ-UHFFFAOYSA-N 425.985 5.712 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1c[nH]c2ccccc12)C(F)(F)F 513152038 AXOKLEFFYOTBQU-SPLOXXLWSA-N 446.498 5.394 30 20 IKED Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc12 513681395 BDAJHJJOIDCYPY-KRWDZBQOSA-N 428.542 5.554 30 20 IKED Cc1c(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)sc2ccc(C#N)cc12 513760466 JGAFALCSDRMIJC-GOSISDBHSA-N 426.339 5.120 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)CSCc3ccc(Cl)cc3)c2)c1 515447843 JFMRNSYJKZPIFV-UHFFFAOYSA-N 435.936 5.336 30 20 IKED N#CCCCOc1cccc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)c1 515611965 ZEKBJXGNSOYEIC-UHFFFAOYSA-N 425.941 5.251 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc4ccccc4c4cccnc34)c2)c1 515674138 GLXZVOBDQGXXJD-UHFFFAOYSA-N 442.478 5.764 30 20 IKED C=CCN(C(=O)Nc1ccccc1SC1CCCC1)[C@@H](C)c1cccc(-n2cnnn2)c1 517530550 WUZHNHVVFOPJSB-SFHVURJKSA-N 448.596 5.478 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)cc1 517762319 HZEFNFDKWQCHRY-NRFANRHFSA-N 445.563 5.246 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 518688599 HBEHUQNEPZDGGB-UHFFFAOYSA-N 425.488 5.096 30 20 IKED Cc1ccc(I)c(C(=O)Nc2ccccc2S[C@H](C)CC#N)c1 519515791 WURARVHHBLLPEN-CYBMUJFWSA-N 436.318 5.246 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 520856893 WFMDXOKAVGZYGJ-JOCHJYFZSA-N 425.454 5.475 30 20 IKED CCc1sc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)nc1-c1ccccc1 521090334 HKPLNKFJTABNOG-UHFFFAOYSA-N 426.501 5.684 30 20 IKED C[C@H](CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1cccnc1 522391647 LFQUSKMIZBLLTE-CYBMUJFWSA-N 430.455 5.152 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1)c1ccc(C#N)cc1 522493259 VIPUNKKRGKZQCR-OAHLLOKOSA-N 435.936 5.179 30 20 IKED Cc1nc(-c2ccsc2)ccc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 523184982 ILEBQAYOJZIGFP-UHFFFAOYSA-N 427.554 6.070 30 20 IKED C=CCn1c(S[C@@H](C)c2ncc(-c3ccccc3)o2)nnc1[C@@H]1COc2ccccc2O1 524915945 XTHUVHDTDCXPJK-KKSFZXQISA-N 446.532 5.485 30 20 IKED CC[C@H](C)n1c(SCC(=O)N[C@](C)(C#N)CCc2ccccc2)nnc1-c1ccccc1 533368901 ABAJUOUPQFYNGJ-DFBJGRDBSA-N 447.608 5.039 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccccn2)nc2ccccc12)c1nc2ccccc2n1C(F)F 536202578 CTACAZMVOYPOOW-QGZVFWFLSA-N 439.425 5.532 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)n1 538764912 ILAFUFVGNFNEEV-INIZCTEOSA-N 442.338 5.706 30 20 IKED C[C@@H](NC(=O)Nc1ccccc1O[C@H]1CCOC1)c1ccc(-c2cccc(C#N)c2)cc1 541096737 FJXGTRCIIHJHKS-JPYJTQIMSA-N 427.504 5.276 30 20 IKED CC(C)[C@H](NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nnc2ccccn12 542023706 YMEGMLZURQDWIB-UUOWRZLLSA-N 438.535 5.025 30 20 IKED CC[C@@H](NCCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1ccc(Cl)s1 543488963 KGSXQYQBHWMGEX-GOSISDBHSA-N 444.988 5.402 30 20 IKED C[C@H](NCc1csc(-c2ccc(C(N)=O)cc2)n1)c1ccc(-c2cccc(C#N)c2)cc1 543870715 JXKOKUPESNKRHD-KRWDZBQOSA-N 438.556 5.298 30 20 IKED CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 557076523 IAWIFXLHBAPIBR-UHFFFAOYSA-N 435.867 5.227 30 20 IKED N#CCCC[C@@H](NC(=O)c1[nH]c2ccc(Br)cc2c1Cl)c1ccccc1 562291761 CXVZUMDTYNCZJY-MRXNPFEDSA-N 430.733 5.749 30 20 IKED N#Cc1ccc(N2CCC(c3nc(Cc4c[nH]c5cc(Cl)ccc45)no3)CC2)c(F)c1 570434333 NZKYPUBUEKYPRJ-UHFFFAOYSA-N 435.890 5.190 30 20 IKED CC[C@@](C)(NC(=O)c1ccccc1)c1noc(/C=C/c2cn(CCC#N)c3ccccc23)n1 571721790 JQSULCJNKXRUIL-ZUSJUXBOSA-N 439.519 5.164 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 573232929 ADBMGKHXQOCOAN-UHFFFAOYSA-N 433.533 5.659 30 20 IKED CC(=O)N[C@@H](CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2)c1cccs1 590615028 HMNYMADZCUOTFX-PBHICJAKSA-N 429.611 5.038 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 592973936 LOFFVTGQVQWHCP-HNNXBMFYSA-N 441.484 5.409 30 20 IKED CC(C)(C)n1cc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c(-c2ccccc2Cl)n1 595127212 GXSDSXKDTPXSSB-OAHLLOKOSA-N 446.860 5.862 30 20 IKED C[C@H](Oc1ccc(F)cc1Cl)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603054513 XLTNCXWYHKSWQE-UXCLJVHYSA-N 435.767 5.272 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)c2)cc1 603921422 ZAGKLSVDJUDNOE-UHFFFAOYSA-N 448.526 5.647 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1 606416058 JVQBYVHJILQLQH-JOCHJYFZSA-N 442.490 5.011 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NCc3cccc(COCc4ccco4)c3)c2)cc1 609128812 JWOJOPJVKUZNPL-UHFFFAOYSA-N 438.483 5.590 30 20 IKED COc1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1Cc1ccccc1 609204527 COFGQDDMQDXPCD-UHFFFAOYSA-N 441.531 5.233 30 20 IKED N#Cc1ccc(NC(=O)CCCCCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1Cl 609227832 QWFNMLISRWBVHE-UHFFFAOYSA-N 429.307 5.264 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 609437139 SDTSTOKDMQBJCM-KRWDZBQOSA-N 428.989 5.084 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC(OC3CCCCC3)CC2)c1 609724172 AYJXQEICIVIVTR-UHFFFAOYSA-N 438.955 5.958 30 20 IKED Cn1ncc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c1C(F)F 610296157 HAVYNZGHLNTVDF-UHFFFAOYSA-N 436.340 5.293 30 20 IKED CSc1cc(C(=O)N[C@@H](C#N)c2ccccc2Br)c(Cl)cc1Cl 610759963 BLGQWQYPDKFJBO-AWEZNQCLSA-N 430.154 5.472 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H](C[C@H]4CCOC4)C3)c2)cc1 611357224 LMYZCAPOMMJGTK-FYYLOGMGSA-N 433.552 5.002 30 20 IKED COc1ccc2c(c1)OCC[C@@H]2NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 611802592 JJSJYWJNLVJOJW-OSPHWJPCSA-N 427.504 5.118 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCc1ccc(C#N)cc1Br 612512897 AQUWQRRFGZEARD-GFCCVEGCSA-N 430.346 5.743 30 20 IKED Cc1noc(CSc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc2)n1 613392599 VXDWOPWUJLPFSY-GOSISDBHSA-N 432.530 5.284 30 20 IKED COCCCn1c(S[C@@H](C#N)c2ccc(Cl)cc2)nc2cc(Cl)ccc2c1=O 619863756 AIMOJIVSWZSJQG-SFHVURJKSA-N 434.348 5.097 30 20 IKED Cc1ccc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1C(F)(F)F 642468770 URRNJHWGDIXNTM-UWVGGRQHSA-N 436.318 6.045 30 20 IKED CC(C)(C)C[C@H](NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(F)cc1 674614943 NKWYXQUMAQJVGU-KKUMJFAQSA-N 428.392 5.685 30 20 IKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c12 679541829 YZVZYAJFNHHZLH-AWEZNQCLSA-N 446.463 5.845 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1Cl 727709196 WGMKZNRNRNPWJV-INIZCTEOSA-N 427.794 5.434 30 20 IKED CC(C)CCn1c(SCc2ccc(OCC#N)cc2)nc2cc(Cl)ccc2c1=O 729241034 DIWCVBUWMUMHRP-UHFFFAOYSA-N 427.957 5.291 30 20 IKED N#CCOc1cccc(NC(=O)[C@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)c1 730171793 ANUWPTRPGBQBBG-OAQYLSRUSA-N 427.287 5.655 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(C3CCC3)C2=O)c1 730461360 NBYRQZZQLBWOKM-FQEVSTJZSA-N 441.984 5.470 30 20 IKED N#C[C@@H](C(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1nc2ccccc2s1 730688086 ZFKVIDIXWZYAKJ-KSFYIVLOSA-N 436.895 6.085 30 20 IKED Cc1c(C(=O)/C=C\c2ccc(OCc3occc3C(=O)O)cc2)cnn1-c1ccc(F)cc1 730949578 YHGCEAPNCLUIME-WCIBSUBMSA-N 446.434 5.086 30 20 IKED CC(C)(C)OC(=O)NCc1nc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cs1 732733215 FKFMCZIIRFKIHA-IBGZPJMESA-N 448.548 5.076 30 20 IKED COc1ccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1Br 732817121 CUOQSIXOEJCDNN-GFCCVEGCSA-N 448.386 5.099 30 20 IKED CC(C)(C)OC(=O)N1CCCC[C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 733621669 LUMHCEKMQFSQAN-PKTZIBPZSA-N 448.567 5.253 30 20 IKED COC(=O)[C@@H](Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1)c1ccc(C#N)cc1 739996255 SUXADWHIVXEWBB-QFIPXVFZSA-N 440.421 5.482 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)NC[C@H]3CCCO[C@@H]3c3ccccc3)c2)s1 740039417 ROGISESKIKFFDZ-ZJSXRUAMSA-N 431.561 5.254 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)cc1 741432001 VYTOYBXLVOIKOS-WEFJBSGNSA-N 444.453 5.550 30 20 IKED COc1ccc(/C=C2/C(=O)c3cccc(Br)c3[C@H]2C)cc1OCCCC#N 742434338 FVNFVSQYIFHPHW-IQGJIOQQSA-N 426.310 5.524 30 20 IKED COc1ccc(C[C@@H]2CCCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)C2)cc1 743095500 KUVBQELJKYKQSK-WXVAWEFUSA-N 439.559 5.837 30 20 IKED CCOc1c(Cl)cc(C=NO[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1OC 744445205 LYPIHVFNGOZEEK-ZDUSSCGKSA-N 433.867 5.357 30 20 IKED Cc1c(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cnn1-c1ccccn1 748441213 JSRDMSSRWSRWCC-RMKNXTFCSA-N 434.839 5.293 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)ccc1OC 749389600 GHVJSAXKNUWJKL-KRWDZBQOSA-N 447.362 5.421 30 20 IKED Cc1cc(Br)ncc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 749414525 OULFHSGIDITNFE-UHFFFAOYSA-N 426.245 5.208 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)cc1C#N 752195183 BROSREUSMPGVQN-UHFFFAOYSA-N 442.903 5.017 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2ccc(C)nc2Sc2ccccc2)cc1C#N 752197787 AJPILSYLUZUKLA-UHFFFAOYSA-N 432.505 5.234 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 755750211 HRAADNARACKURM-MDZLAQPJSA-N 441.475 5.041 30 20 IKED Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 756301915 LIPCRIOGVIPROB-DQEYMECFSA-N 449.558 5.697 30 20 IKED C[C@@H](CC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 763367792 ATSIMPFFQVHXBD-OTWHNJEPSA-N 445.629 5.693 30 20 IKED C=CCn1c(SCc2ccc(OC)c(SC(F)(F)F)c2)nnc1-c1ccccn1 765372069 QWQPTJZQWAONCO-UHFFFAOYSA-N 438.500 5.439 30 20 IKED COc1ccc(/C=C2\CCc3ncc(C(F)(F)F)cc3C2=O)c(OCc2cccnc2)c1 766490409 ILWOKGPCRWVCDM-RQZCQDPDSA-N 440.421 5.296 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c(Cl)c1 767975051 WYQXQYSYTXYUDK-UHFFFAOYSA-N 437.927 5.488 30 20 IKED CCN(C[C@@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1)CC(F)(F)F 775489148 SKKACVIZSOOTQX-AVRDEDQJSA-N 444.501 5.080 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 780146694 CPZHZSCEDOXVOQ-ZDUSSCGKSA-N 431.439 5.301 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)CC1(Cc2nc3ccccc3s2)CCCCC1 781034792 OMPWVPRSTSTMCE-GOSISDBHSA-N 433.577 6.109 30 20 IKED C[C@H](NC(=O)N(C)Cc1ccn(-c2ccccc2)n1)c1ccc(-c2cccc(C#N)c2)cc1 782754256 XRVRVJQYIJVLQJ-FQEVSTJZSA-N 435.531 5.314 30 20 IKED CC(=NOCc1cccc2cccnc12)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 784049695 KUIOWPRLDURTRY-UHFFFAOYSA-N 425.414 5.084 30 20 IKED C=CCn1c(-c2cccs2)nn(CN2CCC(C(=O)c3ccc(F)cc3)CC2)c1=S 788375840 DMTFJMYOAWWLNE-UHFFFAOYSA-N 442.585 5.020 30 20 IKED N#CC[C@@H](CC(=O)OCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1 795980536 DWJWGDUOFHGXDI-LAUBAEHRSA-N 445.346 5.288 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)[C@@H]1OCCc2sccc21 796756735 OFOMQDXRQZVOLD-LNSDYSHSSA-N 436.480 5.503 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2nccc3ccccc23)cs1)c1ccc(F)cc1F 811699413 QVGWNWVDQANZFP-VQHVLOKHSA-N 435.455 5.550 30 20 IKED C#C[C@@H](N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccc(F)cc1 812310384 VOAUYQHUVYYICN-IRLDBZIGSA-N 437.858 5.031 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)/C(=C/c2ccccc2OC)c2ccccc2)cc1 877085562 KLDVESRYORFMJN-PTGBLXJZSA-N 427.504 5.182 30 20 IKED Cc1cc(-c2nc(C)c(C(=O)N3CCC(C(F)(F)F)(C(F)(F)F)C3)s2)ccc1F 883979163 DMTXQJAULRBYGV-UHFFFAOYSA-N 440.384 5.523 30 20 IKED COc1cc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)ccc1OC(C)C 916277209 YMKSSRMJACMJMK-UHFFFAOYSA-N 437.352 5.219 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1oc2ccc(Cl)cc2c1C 916901273 CQKQUPDFARHMHT-AWEZNQCLSA-N 431.275 5.326 30 20 IKED Cc1nc(Cc2ccccc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12 916917644 FCMQBQZMAYLPBH-HXUWFJFHSA-N 425.513 5.157 30 20 IKED CCCOc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1OCC 916928567 NYADKVYGOHSOLH-OAHLLOKOSA-N 435.307 5.142 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccc(Cl)cc3)s2)cc1OC 916935368 PJNFMVJSLZTINN-INIZCTEOSA-N 440.908 5.047 30 20 IKED COc1cc(C(=O)/C=C/c2cnn(-c3ccc(Br)cc3)c2)ccc1OC(F)F 917142362 BCWQGYUDHKCDCN-KRXBUXKQSA-N 449.251 5.141 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 917353054 GPWJOJAVHDQEDQ-OAQYLSRUSA-N 447.874 5.284 30 20 IKED Cn1ccnc1COc1ccc(C(=O)/C=C\c2c(OC(F)F)ccc3ccccc23)cc1 917518088 UKFMMTDPVKABGB-QXMHVHEDSA-N 434.442 5.650 30 20 IKED Cc1cc(-c2noc(CCC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)n2)ccc1F 918492998 YPNGFUXDJWAVMX-QGZVFWFLSA-N 432.480 5.117 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccc(N2CCCCC2=O)cc1 919704890 OVSZIXIVFOIPEQ-UHFFFAOYSA-N 441.556 5.156 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC([C@@H](O)c2ccccc2)CC1 919915493 KZXIBWUUPBSINO-SANMLTNESA-N 441.531 5.637 30 20 IKED COc1ccc(/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)cc1OCc1ccccc1 920749054 AQHXXFMCOLYHHM-QPEQYQDCSA-N 429.472 5.127 30 20 IKED N#C[C@H](C(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1nc(-c2c(F)cccc2F)cs1 920803828 DSOMQGJQXXPMPM-GXTWGEPZSA-N 430.863 5.169 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H](CC)c3ccccc3)CCC2)cc1 1786364023 HGFMBXIRPGKWHJ-DEOSSOPVSA-N 434.580 5.297 30 20 IKED Cc1occc1C(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789508904 WBVSIHURCZEKFJ-UHFFFAOYSA-N 436.628 5.387 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@H]4c4ccccc4)CCC3)cc2)cc1 1790290118 GKASFTOTWWBONX-LOSJGSFVSA-N 435.527 5.110 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(Cl)ccc4c3OCO4)CCC2)cc1 1791247899 LUMYHRVWNHCQKB-HNNXBMFYSA-N 440.927 5.029 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cnc(-c4ccccc4)s3)CCC2)cc1 1791585584 HVMZBMPJYSGTHG-UHFFFAOYSA-N 443.572 5.361 30 20 IKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1 1812808577 YWAMUFIJOZVEGI-ODGPQVTHSA-N 427.633 5.296 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](F)c2ccccc2)n[nH]1 1815556606 BXJPBUYUWCHYDH-TZIWHRDSSA-N 426.536 5.105 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccoc3s2)n[nH]1 1817822643 GEHOGLILQWKNPA-SFHVURJKSA-N 438.553 5.292 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)c(C)cc2F)n[nH]1 1823202546 BRPFGNQWQZFSGN-IERDGZPVSA-N 442.510 5.071 30 20 IKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccoc2C)CC1)c1ccccc1 1825912130 UDAPIXITZOTFPD-UIOOFZCWSA-N 446.591 5.019 30 20 IKED Cc1cccc(Cl)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1 1830595461 BNDWKDMBAZBMCY-HSZRJFAPSA-N 449.982 5.067 30 20 IKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cc(Cl)ccc2Cl)CC1 1831239902 MYANBBYRJSKSEI-NRFANRHFSA-N 437.411 5.122 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3cccnc3)cc2)CC1 1831374391 PLTCSKXWSCQBDD-HFZDXXHNSA-N 445.607 5.194 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccccc1 9447504 SESOLQPWHPGYHI-INIZCTEOSA-N 447.589 5.374 30 20 IKED COc1ccccc1-c1nnc(SCc2ccc(C#N)cc2F)n1CCc1ccccc1 11069534 GBKHUPDOVDLARG-UHFFFAOYSA-N 444.535 5.499 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2cc(C)c(C)cc2C)[n+]2ccc(N(C)C)cc2)c1 14872267 GWQQBESONBHKPH-UHFFFAOYSA-O 446.640 5.579 30 20 IKED COc1ccc(/C=C2\N=C(SC[C@@H](C#N)CCC#N)N(c3cc(C)cc(C)c3)C2=O)cc1 15232817 OXNHKSISEVTUOA-SPMKTWQFSA-N 444.560 5.233 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(C)s2)=C(\S)Nc2cc(Cl)cc(Cl)c2)c1 22733135 LOKMJNMVFIFCNF-UHFFFAOYSA-O 436.409 6.010 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)[nH]c1C)=C(/S)Nc1cccc(C(F)(F)F)c1 23603101 UOTAQEMXWGNQPS-UHFFFAOYSA-O 446.518 5.551 30 20 IKED Cc1nc(-c2ccccc2)sc1/C(O)=N/c1nc(-c2ccc(Br)cc2)n[nH]1 63497326 FXEDIMBCPBONBZ-UHFFFAOYSA-N 440.326 5.302 30 20 IKED Cc1ccc(N(C(=O)[C@@H](C)Oc2ccccc2C#N)c2nc3ccccc3s2)c(C)c1 64341312 KOWIXTLPUPUFRM-GOSISDBHSA-N 427.529 5.917 30 20 IKED C[C@H](NC(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1)c1ccc(C#N)cc1 108748453 YTYDADVGLOOPSH-SFHVURJKSA-N 433.531 5.203 30 20 IKED O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc(N2CCOC2=O)c1 207667984 YNZQWISPZLKNFS-QXMHVHEDSA-N 446.890 5.445 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cc(-c2ccco2)on1 215789916 QJQRQZTWDROFII-UHFFFAOYSA-N 428.901 5.237 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2sc(-c3ccccc3F)nc2C)cs1)C1CC1 217203110 ZDVMNLKITVMHIO-JXMROGBWSA-N 427.526 5.126 30 20 IKED N#Cc1c(Cl)nsc1Sc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1 301946065 BQGQOLMNIHOXNN-UHFFFAOYSA-N 434.333 5.373 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(CN2CCCCCC2)cc1 303352713 FKZKQQHNADJSBG-FQEVSTJZSA-N 436.625 5.636 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1cc(Br)ccc1F 434009554 ZTUHFJWYKUWIRD-UHFFFAOYSA-N 440.272 5.137 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1)c1ccccc1 435733973 DNXWDEPABMNIEJ-OAQYLSRUSA-N 435.911 5.290 30 20 IKED CC[C@H](C#N)Sc1nc2scc(-c3ccc(C)cc3)c2c(=O)n1C[C@H]1CCCO1 436048832 HIVPKHNUXMTJQY-IAGOWNOFSA-N 425.579 5.007 30 20 IKED C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 437894671 YJJPGJIFWBSAPW-BXKMTCNYSA-N 442.494 5.565 30 20 IKED CCCc1c(NC(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)cnn1-c1cccc(C#N)c1 439692354 PDJDLRNZSJVJEA-IRXDYDNUSA-N 433.478 5.187 30 20 IKED CN(Cc1nnc(-c2cccc(C#N)c2)o1)Cc1cn(-c2ccccc2)nc1-c1ccccc1 441173330 IMNANFIGWNVMAJ-UHFFFAOYSA-N 446.514 5.093 30 20 IKED C=C[C@H](Cc1nc(CC(=O)Nc2ccccc2Oc2ccccc2)no1)c1ccccc1 445328333 PFXLJZJBOGBVNJ-LJQANCHMSA-N 425.488 5.555 30 20 IKED Cc1cc2cc(NC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)ccc2[nH]1 446705316 HTIHCHOBCFOONW-UHFFFAOYSA-N 444.878 5.371 30 20 IKED Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)Cc1ccc(C#N)cc1 460248283 XZJUQFBUAUKHAJ-UHFFFAOYSA-N 426.495 5.785 30 20 IKED COc1ccc2c(c1)c(C(=O)Nc1nc(C)c(SCC#N)s1)c(C)n2C1CCCC1 462114373 WKYMMRLTYDSLEV-UHFFFAOYSA-N 440.594 5.706 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3C[C@H](c4ccc(Br)cc4)C3)cc2)nc1 462378640 QHHLRWHKDWAUNI-KESTWPANSA-N 448.320 5.184 30 20 IKED CCO[C@H](C)c1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)s1 463482768 UUJQASRDAGUPSN-CQSZACIVSA-N 441.940 5.597 30 20 IKED CC[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1nc(C(F)(F)F)cs1 467710420 IEMOVPLIAPERTK-QGZVFWFLSA-N 446.454 6.099 30 20 IKED Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)o1 470544910 ANZJYFOBQIIRNG-VGOFRKELSA-N 434.540 5.176 30 20 IKED C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4ccc5c(c4)CCC(=O)N5CCCC#N)cc3c2C1 470852809 SGDIZKUVQVPCBZ-KRWDZBQOSA-N 440.547 5.128 30 20 IKED COc1ccc(CNc2nc(-c3ccccc3)c(NC(C)=O)s2)cc1OCCCC#N 478622184 OAXITSAOYYXQCF-UHFFFAOYSA-N 436.537 5.072 30 20 IKED CCCCN(C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)[C@@H](CC)c1ccccc1 481029824 CATLZIMMOVSCDH-GCJKJVERSA-N 427.570 5.158 30 20 IKED CO[C@H](c1ccccc1Cl)[C@H](C)NCC(=O)Nc1ccccc1S[C@@H](C)CC#N 481394877 XROCNUPOTOCQBJ-WCJKSRRJSA-N 431.989 5.039 30 20 IKED C[C@@H](c1cc(F)ccc1F)N(C)C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482457141 SDDSOGXOWXQEQA-QFYYESIMSA-N 438.343 5.572 30 20 IKED C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 482512363 QUFQPJFAWOFWQL-CVDCTZTESA-N 430.552 5.275 30 20 IKED CC(C)c1c(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cnn1-c1ccccc1Cl 485183991 SCIUKNSHVOZIMY-SIKLNZKXSA-N 447.970 5.953 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 487327228 UUVDPLAEEDDMFO-UHFFFAOYSA-N 434.521 5.429 30 20 IKED Cc1c(C(=O)N[C@H](CCCC#N)c2ccccc2)cnn1-c1ccc(Br)cc1 487442463 CRETZBGADSQUQF-OAQYLSRUSA-N 437.341 5.108 30 20 IKED Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N[C@H](CCCC#N)c1ccccc1 487546276 VYUBJPVBJDUOEH-LJQANCHMSA-N 426.442 5.569 30 20 IKED Cn1c([C@H](C#N)C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)nc2ccccc21 487869338 FBBQRUUTWFNIQI-LJQANCHMSA-N 428.473 5.123 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCCC4(CCOCC4)C3)cc2Cl)c1 488302816 AFJLOHZNCVQTLA-UHFFFAOYSA-N 439.943 5.215 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)cc1 489859680 MCXFPKSJSFQKJV-CJFMBICVSA-N 443.503 5.258 30 20 IKED CC(C)(C(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1csc(-c2cccs2)n1 501559963 HAMWKRKVAREKRB-UHFFFAOYSA-N 434.508 5.336 30 20 IKED N#C[C@@H](NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1c(Cl)cccc1Cl 505528057 YJFUIFKPFKKLRN-MRXNPFEDSA-N 449.725 5.401 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(OC)cc1)c1ccccc1OC 506695636 MZIUGBIEUKZPOM-AREMUKBSSA-N 443.547 5.287 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(n2cc(Cl)cn2)CC1 506941062 RXCORHSIVFDLCS-UHFFFAOYSA-N 449.942 5.165 30 20 IKED C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc2n[nH]cc2c1 511633583 GLOCXVUUKVOCNA-KRWDZBQOSA-N 427.483 5.047 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@H](C#N)c1ccc(F)cc1 513007217 LDBAIZQAYULLGX-SCLBCKFNSA-N 429.904 5.137 30 20 IKED CCn1ncc2c(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)cc(-c3ccccc3)nc21 518320424 KRBGGPUINWWAPW-NRFANRHFSA-N 449.436 5.132 30 20 IKED CCOc1c(Cl)cc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC 518755854 OZJUVRPFHJRDBI-CQSZACIVSA-N 433.961 5.463 30 20 IKED Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 520924106 IYZZKELVBLJZKM-MRXNPFEDSA-N 435.549 5.446 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccc(C)cc2)cc1 521257650 JSYIWGJQTCIKCH-CLOONOSVSA-N 445.588 6.167 30 20 IKED C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 521263909 PSWIVVJARJCFIT-KCXAZCMYSA-N 437.471 5.173 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3ccccc3)nc2O)cc1Cl 521474872 FEDDLTCRZZRXFQ-JOCHJYFZSA-N 439.902 6.015 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3[nH]c4ccccc4c3Br)c2)cc1 521494981 GSWBYNHVIHAOHV-UHFFFAOYSA-N 432.277 5.847 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)nnn1-c1ccc(-c2ccccc2)cc1 524582510 RPFDWXDUCJERJB-HXUWFJFHSA-N 447.420 5.147 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](CCCO)c2ccccc2)cc1Cl 525417297 YHGCQWQAHWTBGJ-VWNXMTODSA-N 433.939 5.631 30 20 IKED Cc1nc(CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)nc2ccccc12 534868892 IBEFACGLGJDXBT-UHFFFAOYSA-N 428.879 5.186 30 20 IKED C=C[C@H](CC(=O)N1CCC[C@@H](CNC(=O)C[C@H](C=C)c2ccccc2)C1)c1ccccc1 535377872 FGHKWAZYVNDPRW-KMDXXIMOSA-N 430.592 5.061 30 20 IKED Cc1sc(NC(=O)c2ccc(C3(C#N)CC3)cc2)nc1-c1ccc(OC(F)F)cc1 537388905 IBCGXHNOQBBALR-UHFFFAOYSA-N 425.460 5.527 30 20 IKED C[C@@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(-c2cccnc2)cc1 538224354 XBISOOWGQIHLPM-QGZVFWFLSA-N 430.577 5.240 30 20 IKED COc1ccc(CN2CCC[C@@H]2c2nc3ccccc3n2C(C)C)cc1OCCCC#N 538729526 WGKLZTPKWKDMLH-HSZRJFAPSA-N 432.568 5.645 30 20 IKED C[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(-c2cccc(C#N)c2)cc1 544432994 MVGJVXPTKDEFNR-FMLDBKJISA-N 443.522 5.645 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(CN3CCCC3)cc2)cc1 548740462 YKWQIVFJDAXBCD-UHFFFAOYSA-N 425.532 5.180 30 20 IKED Cc1ccc([C@@H](N[C@H]2CCCc3cc(C#N)ccc32)c2cccc(S(C)(=O)=O)c2)cc1 552956486 AGAHYXKEDVXCNK-IZZNHLLZSA-N 430.573 5.027 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)cc2Cl)cc1 555420364 BQVINLIQDFXWIX-UHFFFAOYSA-N 442.784 5.542 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC(C)(C)OC2(CCCC2)C1 558988539 MZNQGXLHLHDVBS-VXKWHMMOSA-N 436.600 5.027 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c1 563748040 SYICQNSRLHVCLT-UHFFFAOYSA-N 447.922 5.088 30 20 IKED Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 574085570 CBZAXVNZBPKTPA-INIZCTEOSA-N 435.553 5.859 30 20 IKED Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 576141621 HYBXWYPHSHQHMZ-UHFFFAOYSA-N 446.410 5.093 30 20 IKED CN(Cc1cccc(OC(F)(F)F)c1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 580012276 SEHKMIVGGVQOQW-UHFFFAOYSA-N 442.397 5.308 30 20 IKED N#C[C@@H](C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1nc2cc(F)ccc2s1 592975959 ZQHULRFTRWGAJP-ZDUSSCGKSA-N 437.887 5.037 30 20 IKED C[S@@](=O)Cc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 603838756 JSZIKGOKIDPBPK-DEXQXJORSA-N 449.384 5.485 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3c[nH]nc3-c3ccc(F)cc3)c2)cc1 603921213 PPXJHWNEWDRFRT-UHFFFAOYSA-N 426.451 5.113 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)CC2)cc1 604316089 ULDWZGVHDQRBNH-UHFFFAOYSA-N 438.527 5.181 30 20 IKED COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1 608917949 FVMJLRJAPSXAOO-AREMUKBSSA-N 445.538 5.610 30 20 IKED CC[C@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1c(C)noc1C 608937540 DKHXQWZKGVHJGF-INIZCTEOSA-N 448.470 5.362 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 609053163 WFRDLEPSHYNCPU-UHFFFAOYSA-N 436.949 6.019 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccccc1OC(F)F 609078306 IQVQBOAEAZWEHK-UHFFFAOYSA-N 437.446 5.369 30 20 IKED N#CCCSc1ccccc1NCC(=O)Nc1ccc(N2CCc3ccccc32)cc1 609385849 OOEYHVHDMCLNQJ-UHFFFAOYSA-N 428.561 5.437 30 20 IKED CC1CCN(Cc2cccc(CNC(=O)Nc3ccccc3S[C@@H](C)CC#N)c2)CC1 609439054 VOPMJMQTTYRMNH-FQEVSTJZSA-N 436.625 5.634 30 20 IKED CC(C)[C@@H](C#N)N1CCN(C(=O)c2oc3ccccc3c2CSc2cccs2)CC1 609457338 RSNRFINHXJVIEX-LJQANCHMSA-N 439.606 5.093 30 20 IKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 609503304 MYRMNKYDVMDVAD-UHFFFAOYSA-N 438.487 5.105 30 20 IKED Cn1ccnc1Sc1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1 609641273 HAVBPSPHAKBZGT-UHFFFAOYSA-N 440.528 5.274 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccnc1SCC1CCCCC1 609644329 KARIFVZHDHROKD-QGZVFWFLSA-N 425.623 6.258 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@H](Cn2cccn2)c2ccccc2)c1 610154967 QHRQGJZVVXAUMU-HSZRJFAPSA-N 442.906 5.372 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H](CC2CC2)c2ccccc2)cc1 610321877 KJMNRAFLISCMOR-SANMLTNESA-N 425.532 5.995 30 20 IKED CCOc1cc(Br)c(NC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1OCC 610322179 MYWPAODVOCLWDL-ZDUSSCGKSA-N 432.318 5.001 30 20 IKED CCN(C(=O)N[C@@H](C)c1cccc(C#N)c1)[C@H]1CCSc2ccc(Br)cc21 610356120 JTEIMQNNIKYYFR-LIRRHRJNSA-N 444.398 5.650 30 20 IKED CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1nc(C(F)(F)F)cs1 610407683 DNRBBJMILDNXEJ-HNNXBMFYSA-N 447.442 5.494 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3sc(-c4ccccc4)nc3C(F)F)cn2)c1 611182981 UEFCYLVIWRUFEO-UHFFFAOYSA-N 448.454 6.059 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)cc12 614439928 YWTXTSBUDUBELM-MRXNPFEDSA-N 432.892 5.680 30 20 IKED O=C(c1cc2ccc(OC(F)(F)F)cc2[nH]1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618365589 GOYAIESZMDEBDW-AOOOYVTPSA-N 448.285 5.269 30 20 IKED CCOCCCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@](C)(C#N)C1 619840178 NEYAZORTMADWNX-FQRUVTKNSA-N 447.583 5.128 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN(C)Cc2ccccc2-c2ccccc2)c1=S 725783129 SEYSUAIOCSVVOA-UHFFFAOYSA-N 427.577 5.419 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728062472 OYWJOVXBWIFOPT-KRWDZBQOSA-N 449.938 5.628 30 20 IKED N#Cc1ccc(OC2CCN(Cn3cc(C(F)(F)F)cc(Cl)c3=S)CC2)cc1 728903495 PVPZJXPUBDITQR-UHFFFAOYSA-N 427.879 5.262 30 20 IKED N#CCOc1ccc(CNCc2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)cc1 729685346 LJJGIOXLHPBZGP-UHFFFAOYSA-N 442.950 5.444 30 20 IKED N#C[C@@H](C(=O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1)c1nc2cc(F)ccc2s1 730417647 RDWGVIOHQVMPOG-PGRDOPGGSA-N 436.895 6.085 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3cc(Br)cs3)n2)cc1 730692419 YBPWFEUPGPPANT-INIZCTEOSA-N 442.363 5.315 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccccc3Br)n2)cc1 732901180 LTOFZDUMPTZCFQ-GOEBONIOSA-N 441.350 5.525 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 733805379 BFMYIAMBGLRLCE-VWNXMTODSA-N 433.939 5.610 30 20 IKED Cc1cc(F)ccc1-c1ccc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)o1 734294673 FPMVAQKEEQQHLM-UHFFFAOYSA-N 443.503 6.023 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)OCc3nnc(-c4ccccc4Cl)o3)c2)cc1 734321496 PMMQGAHLFPIVBG-UHFFFAOYSA-N 445.862 5.198 30 20 IKED C=CC[C@H](NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccncc1 735582762 LQJZJLMXHBHJSZ-BAGYTPMASA-N 446.517 5.100 30 20 IKED C[C@H](SC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1)c1ccc(C#N)cc1 735618207 IPSHPUWPSMPIRP-XYLCRUHJSA-N 427.504 5.935 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)s2)[n+]2cccc(O)c2Cl)c1 735666588 PKGPVNVQWFADEH-UHFFFAOYSA-O 448.376 5.353 30 20 IKED CC(C)C(=O)c1ccc(S(=O)(=O)O[C@@H](Cc2ccc(Cl)cc2)C(F)(F)F)cc1 742296049 BEZYTGOYTRQSDQ-KRWDZBQOSA-N 434.863 5.058 30 20 IKED C[C@H](c1ccc(Cl)cc1)N(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C1CC1 743097870 YASRINHMHNSYCK-CJAUYULYSA-N 429.951 6.753 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 744029428 SOPNDXDLILCNPI-IURSYISVSA-N 428.454 5.581 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3ccc(-c4cc(F)c(F)c(F)c4)cc3)o2)c1 745429156 LQPZORBOACAINR-UHFFFAOYSA-N 435.361 5.050 30 20 IKED CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)c1ccccc1 746172155 DYBPDONMSCGENM-MOPGFXCFSA-N 447.457 5.042 30 20 IKED C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(S[C@@H](C)CC)cc2C(F)(F)F)c1 749003628 PHRKGMUUTTZYNX-AWEZNQCLSA-N 449.498 5.338 30 20 IKED CC(=O)N(c1nc(COC(=O)c2ccc(C#N)s2)cs1)c1c(C)cc(C)cc1C 750394529 GSOFVICBWBMSQZ-UHFFFAOYSA-N 425.535 5.043 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(CC)Cc2ccc(C(F)(F)F)cc2)cc1C#N 752300336 CKJFOJAOQQIANB-UHFFFAOYSA-N 434.418 5.199 30 20 IKED N#C[C@@H](C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)c1nc(-c2ccncc2)cs1 754531764 VJHFRADIIJUFAW-HNNXBMFYSA-N 444.343 5.741 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1cc(Cl)sc1Cl)c1nc(-c2ccncc2)cs1 756243209 KAQKYWJLINYWCI-GFCCVEGCSA-N 436.345 5.413 30 20 IKED Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 756301936 LIPCRIOGVIPROB-RPBOFIJWSA-N 449.558 5.697 30 20 IKED C=C[C@@H](CC(=O)OCc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1)c1ccccc1 758910398 XTPLDBUDYSGGJS-FQEVSTJZSA-N 434.561 5.848 30 20 IKED C=CCNc1nc(C(=O)O[C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)cs1 761042553 LDUCJWHHXGCNDC-VIFPVBQESA-N 425.297 5.016 30 20 IKED N#CCOc1ccc(Cl)cc1CSc1nnc(-c2ccccn2)n1-c1ccccc1 768410762 BREHFRQPTZYFGG-UHFFFAOYSA-N 433.924 5.177 30 20 IKED Cc1ccc(CCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c(Br)c1 773983688 MCMCUAYPRGQAHG-AWEZNQCLSA-N 432.268 5.311 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 775616099 QTBDYCIUVZSNNV-UHFFFAOYSA-N 435.977 5.646 30 20 IKED C=C(C)[C@H](NC(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1ccc(F)c(F)c1 775619843 JHXVGDBWDMNHFB-FQEVSTJZSA-N 430.842 5.639 30 20 IKED C[C@@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)Nc1ccccc1Oc1ccccc1 777176387 AJKDXCHGRHTTOO-GOSISDBHSA-N 426.472 5.218 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1SCc1nnc(-c2ccc(Br)s2)o1 777571368 RZWSVUNBFZZLAE-UHFFFAOYSA-N 447.261 5.138 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H](c2cccc(F)c2)c2cccc(Cl)c2)ccc1OC 779101409 NCLBONABUBVVIG-DHLKQENFSA-N 438.930 6.048 30 20 IKED N#C[C@H](C(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1)c1nc2ccccc2[nH]1 781444504 MDSHALIIKOJEKX-HXUWFJFHSA-N 444.535 5.006 30 20 IKED COc1cccc([C@@H](OC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c2ccncc2)c1 782465268 ZSECXHCQEZJPST-VWLOTQADSA-N 437.455 5.096 30 20 IKED C=CCn1c(=S)sc2c(=O)n(CC(=O)c3ccc(C(C)C)cc3C(C)C)cnc21 791560132 DFURNLJKHSSAQV-UHFFFAOYSA-N 427.595 5.305 30 20 IKED CCNC(=O)N(C)c1cccc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1 794111967 UBCQJVSDRBSQFL-UHFFFAOYSA-N 428.492 5.077 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccc(C(F)(F)F)cc1 798813976 CZDCJEOJAJZXLL-NHYWBVRUSA-N 445.466 5.274 30 20 IKED C=CCOc1ccc(CNC(=O)c2ccsc2NC(=O)c2ccccc2Cl)cc1 804140161 YRZCUAOUNDKNPH-UHFFFAOYSA-N 426.925 5.149 30 20 IKED CC[C@@H]1[C@@H](C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)CCN1C(=O)OC(C)(C)C 810536953 SUJPIBRUYMHAAG-SQWLQELKSA-N 433.961 5.162 30 20 IKED N#CC(CCOC(=O)C1CCC(OC[C@H]2CCCO2)CC1)(c1ccccc1)c1ccccc1 815342795 DUYZODVCJSOVQJ-TXDAUAKNSA-N 447.575 5.184 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)c1 827006877 WLSZCKNQLJLTFH-HNNXBMFYSA-N 440.550 5.249 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccccc1CSC1=NCCS1 880538035 KBJVYMVIXCMQOW-UHFFFAOYSA-N 429.570 5.070 30 20 IKED Cc1ccc(-c2nnc(S)n2N=Cc2cc(Cl)ccc2OCc2cccnc2)cc1 914692869 YURKEKXWQVAQTN-UHFFFAOYSA-N 435.940 5.052 30 20 IKED Cc1cc(C)c(N2C[C@@H](C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2=O)c(C)c1 915085372 LHWAMLAVCWBRMY-UKILVPOCSA-N 437.543 5.259 30 20 IKED CC(=O)N1CCc2cc(C(=O)[C@@H](C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)ccc21 915103539 XFKIYJPCJPVNDD-BSMLIHBTSA-N 445.588 5.010 30 20 IKED C=CCc1cc(C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 915299008 ICBNFYLIVMDCEK-SFHVURJKSA-N 444.531 5.176 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 916680173 GBKRNMXHAGSZHZ-DQEYMECFSA-N 441.531 5.261 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2nc3ccccc3s2)o1 916901953 ACZFUOJAYFDYFV-KRWDZBQOSA-N 443.528 5.642 30 20 IKED N#C[C@@H](C(=O)CSCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl 916927236 GXSLIPJCQQVHAR-AWEZNQCLSA-N 427.740 5.228 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cc1 916953293 BKGZVKMLQJKKJB-YCRPNKLZSA-N 434.927 5.309 30 20 IKED Cc1ccc(Cl)c(O[C@H](C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 917044322 QZQAUIXEHQAABH-DGCLKSJQSA-N 438.858 5.921 30 20 IKED O=S(=O)(c1ccc(N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1)C(F)(F)F 917059311 QMRYDGMTBZUBNB-JZYVYDRUSA-N 443.331 5.302 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(N2CCCC2=O)c1 920977170 VFVKXOUDPNUATD-CLOONOSVSA-N 438.531 5.352 30 20 IKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)C4CC5(CCC5)C4)cc3)CCC2)c1 1792040062 LLRQFVUXQNMLPL-UHFFFAOYSA-N 431.511 5.025 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)[C@@H]1c1cccnc1 1810504426 ZOQLDCAZVULBGR-LUGTWXOSSA-N 439.644 5.296 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ccn(C)c23)CC1 1824142579 YILZYWYEYBXUJZ-VWLOTQADSA-N 447.623 5.180 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccccc2OC)cc1 10118352 PARDUQXNMICTTG-UHFFFAOYSA-O 439.626 5.664 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)c(F)c1)=C(/S)Nc1cccc(Cl)c1 10830555 OOBJTTSFDXFKKW-UHFFFAOYSA-O 431.915 5.519 30 20 IKED O=C(/C(=C(\S)Nc1cccc2ccccc12)[n+]1cccc(O)c1)c1ccc(Cl)s1 11125992 UHTFNEKOFXSDRU-UHFFFAOYSA-O 439.969 5.599 30 20 IKED C=CCNC(=O)c1ccccc1NC(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12 22140269 XUDOVENWHULTPY-UHFFFAOYSA-N 446.532 5.045 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(C(F)(F)F)c2)[n+]2cccc(O)c2)s1 22693621 GMIJUOWFUKWPJZ-UHFFFAOYSA-O 437.488 5.119 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cc(-c2cccnc2)nc2ccccc12 24506842 HCARGJKEVGOTPR-UHFFFAOYSA-N 431.417 5.097 30 20 IKED CC(=O)c1ccc(-c2ccc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)o2)cc1 32289399 ZNTVLHFDYNAUFC-UHFFFAOYSA-N 436.467 5.852 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)n2)cc1 60667297 POKWGGAPBVOIFJ-UHFFFAOYSA-N 430.514 5.248 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2SCc2c(C)noc2C)cc1 105719435 DOLSVDMUIDUDDF-UHFFFAOYSA-N 436.537 5.144 30 20 IKED CC(C)[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1nc(-c2ccncc2)no1 236755549 OOQXSXZEJVYDKC-XMMPIXPASA-N 439.519 5.069 30 20 IKED COc1cccc(-c2noc([C@@H](C)NCc3cccc(OCc4cccc(C#N)c4)c3)n2)c1 237577706 NRDQFYRALJYIJN-GOSISDBHSA-N 440.503 5.047 30 20 IKED C=CCOc1c(Br)cc(CN[C@H]2CCSc3ccccc32)cc1OCC 302221820 LRVIGWIPDIKJGP-SFHVURJKSA-N 434.399 5.739 30 20 IKED Cc1nc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)oc1-c1ccccc1 303345772 WNQXNABPYGRLPY-IBGZPJMESA-N 447.947 6.236 30 20 IKED CCOc1cc2c(cc1NC(=O)c1cccc(COc3cccc(C#N)c3)c1)O[C@@H](C)C2 303590844 HOHYYBZLKPLZOX-KRWDZBQOSA-N 428.488 5.112 30 20 IKED N#Cc1ccc(NC(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)c(Cl)c1 426137233 DSWDBRWVJZLCMM-QGZVFWFLSA-N 428.678 5.263 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(Cl)c(Br)c2)c1-c1ccccc1 428496971 AHYABRQAMPCOCG-UHFFFAOYSA-N 429.705 5.132 30 20 IKED N#CCCC[C@H](Nc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl)c1ccccc1 431484984 GECIHNZZMLWJCT-INIZCTEOSA-N 447.848 5.147 30 20 IKED N#CCCn1cc(CNCc2ccccc2Sc2ccccc2)c(-c2ccncc2)n1 433308020 XFNZBSQJPZYUCH-UHFFFAOYSA-N 425.561 5.300 30 20 IKED CC(C)[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1cccnc1 435544987 HNBMFILTNRNXBJ-RUZDIDTESA-N 430.527 5.244 30 20 IKED Cc1ccc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1NC(=O)Nc1ccccc1 436337748 BYCVDNOGAXOFSA-NOZRDPDXSA-N 438.531 5.551 30 20 IKED C=CCc1cc(/C=C2/CCn3c2nc2scc(-c4ccccc4)c2c3=O)cc(OC)c1O 436938769 KKACQKRSGRROEC-UYRXBGFRSA-N 442.540 5.512 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 438069989 DKUCERLVYPQMSN-IAGOWNOFSA-N 428.989 5.525 30 20 IKED CN(Cc1ccc(Br)o1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438667610 VCFFIBNORRVVOB-UHFFFAOYSA-N 444.260 5.509 30 20 IKED C[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 440085460 ATJSNLMMRYZODF-MHECFPHRSA-N 444.510 5.483 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[C@@H](COCc3ccccc3)C2)cc1 460530695 VWXVFVCZSKDWDW-HXUWFJFHSA-N 430.479 5.169 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N(C)[C@@H](C)c1sc(C(C)C)nc1C 460938395 QBNFETFDKBGWHV-IBGZPJMESA-N 439.629 5.657 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cc(Br)cc2c1OCC2 462264742 BTHNMWXIJWXFAI-CYBMUJFWSA-N 446.370 5.100 30 20 IKED COc1ccc([C@@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)c2ccccc2)cc1Br 463951974 CJTDLFQPHYTSLY-HJPURHCSSA-N 449.348 5.339 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)NCc3cc(Cl)ccc3OC(F)F)s2)cc1 465067796 QJZJMXFOVNGETG-UHFFFAOYSA-N 448.882 5.182 30 20 IKED CCN(C(=O)NCc1cc(C#N)ccc1F)[C@H]1CCSc2ccc(Br)cc21 466194453 MDCBXZQABKDNRS-SFHVURJKSA-N 448.361 5.228 30 20 IKED COc1ccc(C(=O)Nc2ccc(C(=O)N(CC(C)C)c3ccc(C#N)cc3)s2)cc1 466431231 NYCBRNUKVSYDTA-UHFFFAOYSA-N 433.533 5.183 30 20 IKED C=CCc1cc(CN(Cc2cccc(Br)c2)C2CCOCC2)cc(OC)c1O 467357450 JCADSEQCQQYJFQ-UHFFFAOYSA-N 446.385 5.073 30 20 IKED C[C@H](Oc1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1)c1ccccc1 472535405 CEEZVTNKIZDTGN-QFIPXVFZSA-N 439.559 5.115 30 20 IKED C[C@H](SCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1nc(-c2ccccc2)no1 476202310 YXMQPMAVYRDIMQ-CVEARBPZSA-N 438.578 5.564 30 20 IKED C[C@H](N[C@@H](c1ccccc1F)c1nccn1C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 480332669 JCOFMFXTSZYJFG-SGTLLEGYSA-N 445.382 6.037 30 20 IKED N#CCCN(CC(F)(F)F)C(=O)c1oc2ccccc2c1COc1ccccc1Cl 482645382 GTBDSLSNFGNRFX-UHFFFAOYSA-N 436.817 5.583 30 20 IKED CCc1c(NC(=O)CSCc2ccc(C#N)cc2)cnn1-c1cccc(C(F)(F)F)c1 482695390 GMHDPUXLZPLFSQ-UHFFFAOYSA-N 444.482 5.197 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1cnc2ccccc2n1 483195077 IBOFGXNHXIDLFO-LBPRGKRZSA-N 436.258 5.009 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](c1cnn(C)c1)C(C)(C)C 483621530 JPEZHZGFGKSFKQ-HSZRJFAPSA-N 431.540 5.088 30 20 IKED CC(C)(C#N)CC(=O)Nc1cc(-c2nc3ccc(Br)cc3[nH]2)ccc1Cl 486182007 FEIDYLLWMSGGIH-UHFFFAOYSA-N 431.721 5.524 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N(CCC#N)c1ccc2c(c1)OCCO2 486191712 DTFPNIWNVISEEO-UHFFFAOYSA-N 439.924 5.104 30 20 IKED O=C(NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(F)cc1C(F)(F)F 487955874 LAKWTIFJUPKFBQ-UHFFFAOYSA-N 448.363 5.917 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4cccc(OCCCC#N)c4)cc3)o2)cc1 488461520 UKIGTUURNYXWPJ-UHFFFAOYSA-N 438.487 5.647 30 20 IKED C=CCn1c(SCC(=O)c2ccc(NC(=O)C(C)C)cc2)nnc1-c1ccccc1C 488904511 UQPBPQUYFFHPRK-UHFFFAOYSA-N 434.565 5.009 30 20 IKED CCN(C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)[C@@H](C)c1ccc(C#N)cc1 488911796 CNYXNXHNUKTOLV-AWEZNQCLSA-N 444.387 6.141 30 20 IKED O=C(Nc1ccc2nc(C(F)F)sc2c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 492878011 OYLXHMNQQOGJGF-UHFFFAOYSA-N 433.324 5.583 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)n1 496190022 QXNRDDBNOSEIGA-NRFANRHFSA-N 427.485 5.921 30 20 IKED Cc1cccc(C)c1Oc1ccccc1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 498362632 JGMFQFWKZDRIET-UHFFFAOYSA-N 448.544 5.426 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N[C@@H](c3cccc(F)c3)c3ccccn3)c2)cc1 498886727 LQPIGEPMBLNLHP-SANMLTNESA-N 437.474 5.191 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 499432249 RJELODMUMZJSJG-UHFFFAOYSA-N 425.941 5.737 30 20 IKED CCCc1nc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nn1-c1ccccc1Cl 501343896 UJDSYBFAVBIITI-INIZCTEOSA-N 447.951 5.487 30 20 IKED Cc1ccccc1CN(Cc1cccnc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 503204478 ZYZPFTZFZHDXBG-UHFFFAOYSA-N 448.526 6.288 30 20 IKED CCCOc1cn(-c2ccccc2)nc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 503570692 CDUYACDLYPBWJX-MRXNPFEDSA-N 436.924 5.414 30 20 IKED CCOc1ccc(NC(=O)c2ccc(NC(=O)N[C@H](C)c3ccc(C#N)cc3)cc2)cc1 505312129 VLWIAWCZSPLBJX-QGZVFWFLSA-N 428.492 5.092 30 20 IKED Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1 505321199 RLWBFTWQRGXGNA-FQEVSTJZSA-N 444.318 5.101 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)o2)cc1 505977384 SNNNAHVPFZMSIF-IBGZPJMESA-N 426.259 5.032 30 20 IKED COc1ccc([C@H]2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)C2)cc1 506639189 XZKJXEBITWVFGE-NRFANRHFSA-N 427.504 5.689 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)c1nc(-c2ccc(F)cc2C(F)(F)F)no1 508058892 YMJDURRIJHDWBA-QMMMGPOBSA-N 436.331 5.422 30 20 IKED N#CCCCCNC(=O)NC[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 509360957 YGDZGAJONHVWAJ-DEOSSOPVSA-N 436.559 5.960 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 510122688 AINBIGOBKOAMJC-DYVFJYSZSA-N 425.451 5.893 30 20 IKED N#Cc1ccc(-c2ccccc2)nc1SCC(=O)NCc1ccc(F)cc1C(F)(F)F 510188294 YXRQGPTVBISUKL-UHFFFAOYSA-N 445.441 5.187 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(NC(=O)c2cccnc2)c1 512855467 HXIFMZXYMBXNDA-UHFFFAOYSA-N 448.482 5.559 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(CSc2nc3c(cc2C#N)CCCC3)cs1 515604879 QMGRDDURIMJHAW-UHFFFAOYSA-N 434.590 5.574 30 20 IKED Cc1cccc(COc2ccc(NC(=O)CCc3c(C)nn(CCC#N)c3C)c(C)c2)c1 517295229 AYPRBJHOIKSLLE-UHFFFAOYSA-N 430.552 5.181 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(-c4ccccc4Cl)[nH]n3)n2)cc1 517800744 GBAWIZLWGWWKMO-INIZCTEOSA-N 434.908 5.352 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 518140022 NLMANPLKUMZOLV-CQSZACIVSA-N 427.476 5.443 30 20 IKED CCC(CC)[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccs1 518252912 LECMMHGYJGTDOR-MGPUTAFESA-N 429.611 5.375 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC(F)F 518255642 HSZRJCWPNJOBLT-AWEZNQCLSA-N 435.496 5.355 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 519065717 LWESMBQADDUXKN-UHFFFAOYSA-N 436.899 5.499 30 20 IKED CCC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 519438483 MKZSRFOWJLWAON-HOCLYGCPSA-N 441.519 5.125 30 20 IKED Cc1nc(-c2ccc(CNC(=O)Nc3ccccc3SC[C@H](C)C#N)s2)cs1 519451398 CQBUZELGUWAMRS-CYBMUJFWSA-N 428.608 5.754 30 20 IKED Cc1[nH]c2ccc(CNC(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)cc2c1C 519944115 KGPJDNBPLCXBNT-UHFFFAOYSA-N 437.503 5.230 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)s2)cc1 521017353 OQQVASQMLLWVQY-QGZVFWFLSA-N 431.439 5.141 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N(Cc2ccccc2)CC2CCOCC2)cc1 521085210 HNNLAVVZSIXGMV-UHFFFAOYSA-N 440.543 5.206 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)c1 523880716 SOHOEIJEUMZGIQ-UHFFFAOYSA-N 426.259 5.009 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1CCC(OC(C)C)CC1 535009956 URZZFWJVWGFNNQ-UHFFFAOYSA-N 441.597 5.055 30 20 IKED C=CCC[C@H](NCc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1)c1ccccc1 537158750 ODEVXFVAIYWIOW-DEOSSOPVSA-N 433.621 6.550 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 540196609 BIYJYXOQUDEHHB-UHFFFAOYSA-N 441.512 5.371 30 20 IKED CC(C)Cn1cc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(C(F)F)n1 542029126 ZQRADLOUBPBWQM-MRXNPFEDSA-N 437.494 5.898 30 20 IKED CN(C(=O)c1cc(OCC(F)F)ccn1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 544037061 UBTXGNJZUSXMBS-OAHLLOKOSA-N 442.306 5.120 30 20 IKED Cc1cccc(O[C@H](C)c2nnc(N3CCC(C#N)CC3)n2CCc2ccccc2)c1C 549565443 RSCCSSCGUKSIDI-OAQYLSRUSA-N 429.568 5.018 30 20 IKED C[C@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 560083310 SCUSRGODISPHKR-MRXNPFEDSA-N 426.451 5.250 30 20 IKED CC(C)[C@@H](NC(=O)c1ccccc1)c1noc(-c2cn(CCCC#N)c3ccccc23)n1 561928387 ODZLZXCRHKZRDM-JOCHJYFZSA-N 427.508 5.122 30 20 IKED N#Cc1cc(Sc2nnc(-c3ccc(Cl)cc3Cl)n2-c2ccccc2)ncn1 562433316 XKIVFOVZAKELDV-UHFFFAOYSA-N 425.304 5.054 30 20 IKED C=CCOc1cccc(NC(=O)C(=O)N[C@H](CC(C)C)c2cccc(C(F)(F)F)c2)c1 588737208 HLXAKEJKYKMCIF-HXUWFJFHSA-N 434.458 5.112 30 20 IKED C[C@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 589572412 RMHZDAMJAYFZRO-AWEZNQCLSA-N 442.397 5.083 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F 590376860 OYMCZCOGHWWFSL-JTQLQIEISA-N 436.327 5.021 30 20 IKED Cc1sc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)c(C#N)c1C 603564354 FYQKCNPRYWNGRI-UHFFFAOYSA-N 430.455 5.571 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(Oc2ccc(F)cc2F)CC1 606769033 FONNMFNBMLDQNE-UHFFFAOYSA-N 441.396 5.232 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(-c2cn3cccnc3n2)c1 606770169 BUWTVFNOUHZSAK-UHFFFAOYSA-N 438.409 5.232 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 606773999 TZFXKUFDCLLNMO-LJQANCHMSA-N 431.414 5.250 30 20 IKED C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)Nc1ccc(C(C)(C)C#N)cc1 609205685 QMZCNUIREQBEKO-YJYMSZOUSA-N 444.398 5.855 30 20 IKED COc1ccc(C(C)(C)CNC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1OC 609398341 MJHSLFQKPNHVOF-MRXNPFEDSA-N 427.570 5.055 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1nc(-c2cccc(Cl)c2)cs1)c1ccccc1 609420556 VYTFBZFCWSBEEI-UHFFFAOYSA-N 438.940 5.129 30 20 IKED C[C@H]1CCCCN1Cc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 609501398 MTXKSXRZYXYTDA-IBGZPJMESA-N 426.520 5.372 30 20 IKED Cc1c(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)oc2ccccc12 609681790 ADSSFGSNVWBHCN-UHFFFAOYSA-N 425.488 5.708 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCC1(c2ccccc2Br)CC1 610167281 YUXZLGCMYAGNII-OAHLLOKOSA-N 444.398 5.554 30 20 IKED CC(C)n1cc(Br)cc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 610290438 DGHONWIWSWVGNC-UHFFFAOYSA-N 425.286 5.143 30 20 IKED Cc1nccn1-c1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 610663617 UXNDREDRGPNEHH-KRWDZBQOSA-N 438.491 5.122 30 20 IKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 611362933 AJOIGXGRYSTWJB-AHKZPQOWSA-N 439.559 5.535 30 20 IKED N#C[C@H](C(=O)c1sc2cccc(Cl)c2c1Cl)c1nc2ccccc2n1C(F)F 613403873 KTRSSNNJOLMZEU-SECBINFHSA-N 436.270 6.443 30 20 IKED COc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC(F)F 613404462 NVDCWVLTVLTSNE-NSHDSACASA-N 442.365 5.415 30 20 IKED N#C[C@@H](C(=O)c1c(-n2cccc2)sc2c1CCCC2)c1nc2ccccc2n1C(F)F 613404891 VXANAIKTOBBBCJ-HNNXBMFYSA-N 436.487 5.652 30 20 IKED Cc1cc(CN(C)C(=O)NCc2ccc(C#N)c(Cl)c2)cc(C)c1OCC(F)(F)F 619769321 ZWEHTWOLBUURFZ-UHFFFAOYSA-N 439.865 5.111 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@H]1CCSc2ccc(F)cc21 642671660 DUZUFRSMCIHCGF-RULNRJAQSA-N 444.416 5.571 30 20 IKED C[C@H](NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1csc(-c2ccccc2F)n1 643307137 UIRPSPSZZYXRKH-SRVKXCTJSA-N 440.428 6.509 30 20 IKED Cc1ccc(NC(=O)C(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)cc1C(F)(F)F 682120926 YKSFFRBPUUJUMP-UHFFFAOYSA-N 440.290 5.245 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC([C@@H]2CCCCCN2C(C)=O)CC1 682777455 ZNHFWAVZWPQAOF-DEOSSOPVSA-N 425.617 5.574 30 20 IKED C#Cc1cccc(N(Cc2ccco2)C(=O)C2CCN(c3nc4ccccc4s3)CC2)c1 728181668 VNNMKSCSAIGVRW-UHFFFAOYSA-N 441.556 5.320 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC([C@H](O)c4ccccc4)CC3)c2)cc1 729571346 UXFPXLSVVKBZCX-RUZDIDTESA-N 427.504 5.328 30 20 IKED CCOC(=O)c1sc(NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)c(C#N)c1C 729944387 KLFJUXOWYFXRDR-UHFFFAOYSA-N 426.444 5.302 30 20 IKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CCC2)c1 730459923 PHDUWLMHEGJLHS-HXUWFJFHSA-N 443.519 5.094 30 20 IKED CC(C)Oc1ccc(Cl)cc1C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 731074947 YQONSBKRIJZGLD-OAHLLOKOSA-N 446.956 5.174 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccncc3)c(Cl)c2)cc1 734080060 ISZBFEDVXRMFEY-IIBYNOLFSA-N 447.922 6.002 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)cc1 735699893 AUHIQGAVODZZLE-HXUWFJFHSA-N 445.277 5.260 30 20 IKED O=C1/C(=C\c2cc(F)ccc2F)CC(O)(C(F)(F)F)C/C1=C\c1cc(F)ccc1F 735792709 JGKMRAISZRIYCO-FUJGBLOQSA-N 430.319 5.366 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NC[C@H](O)c2ccccc2Cl)c1 740931723 OUVFBXUFFPSXOL-FQEVSTJZSA-N 427.287 5.121 30 20 IKED COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=S)Nc1ccccc1C#N)CCO2 741860592 MOHOTHPPUJLFLP-QHCPKHFHSA-N 429.545 5.290 30 20 IKED COc1ccc(/C=C2\C(=O)c3cccc(Br)c3[C@H]2C)cc1OCCCC#N 742434342 FVNFVSQYIFHPHW-VMOJBDSFSA-N 426.310 5.524 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 743232340 NQWXTYXQVHLZKP-SFHVURJKSA-N 436.556 5.586 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)c1 743449062 HMYPISOTSPMPLM-OAHLLOKOSA-N 430.316 5.387 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C\c2ccc3c(c2)OCCO3)C(=O)c2ccccc2)c(Cl)c1 747154780 LOFYYSJMFSUJHD-ZHZULCJRSA-N 447.918 5.633 30 20 IKED CCCOc1c(Cl)cc(C=NO[C@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1OCC 748098222 YDKISLWUBVOEEK-MRXNPFEDSA-N 443.931 5.998 30 20 IKED COc1ccc(-c2nnc(COC(=O)c3ccc(Sc4ccccc4C#N)cc3)o2)cc1 748234739 GJTFAIPPRACGPA-UHFFFAOYSA-N 443.484 5.125 30 20 IKED N#Cc1ccc(C(=O)COC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1 749174163 SEOPOMHNLDXIPV-UHFFFAOYSA-N 428.469 5.031 30 20 IKED CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 750836484 ZZUGEYYFPRNXJC-SIBVEZHUSA-N 438.527 5.130 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OC(F)F 750899430 GNDFRTVILTYHFN-BAQGIRSFSA-N 442.212 5.254 30 20 IKED C[C@H](OC(=O)Cc1cccc(OCC#N)c1)c1ncc(-c2ccc(Cl)cc2Cl)o1 760639017 QOKLCVBYTCKRGK-ZDUSSCGKSA-N 431.275 5.398 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CCc3ccc(Cl)cc3C2=O)cs1 761206161 OPUBJIYYIKYDOP-XNTDXEJSSA-N 426.900 5.833 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1 761677654 SVDZKCYFGYLPCV-UHFFFAOYSA-N 435.421 5.724 30 20 IKED C[C@@H](C#N)Oc1ccc(CN2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1 768344990 BBNBSFYGOJDVGL-YCRPNKLZSA-N 432.351 5.277 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4cc(OC)ccc4nc3C)n2)cc1 770115037 KRQXYVDOGQXZLZ-HXUWFJFHSA-N 429.501 5.174 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)ccc1OC 770395080 NOGVNZLMUCGSPJ-WIYYLYMNSA-N 443.494 5.091 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)OC(C)(C)C 775336433 QXEXXFZTPYOIFD-LMMKCTJWSA-N 446.617 5.095 30 20 IKED CC(C)(C)OC(=O)NCCCCC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 781768882 GCYYIEIDVRATAT-ZDUSSCGKSA-N 441.475 5.186 30 20 IKED C[C@@H](OC(=O)CC1CCC(C(F)(F)F)CC1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 783286639 HBKOHZGJEFSKOU-AFPNSQJFSA-N 447.322 5.011 30 20 IKED CC(=NOCc1nc(C(C)(C)C)cs1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 784049226 GSHSNODREXWVRX-UHFFFAOYSA-N 437.491 5.289 30 20 IKED C/C(=C\C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(C(F)(F)F)c1 787351912 IOMPFIWVSSDJNC-DTQAZKPQSA-N 441.453 5.330 30 20 IKED O=C(/C=C\c1cc(Br)c(Cl)s1)c1ccc(N2CCC(O)CC2)cc1 790219765 MMFYNWNRMNRMPT-WAYWQWQTSA-N 426.763 5.021 30 20 IKED N#CCCn1cc(C(=O)COC(=O)CCC(=O)c2ccc3ccccc3c2)c2ccccc21 792500021 DKEVEMWGAQTVEY-UHFFFAOYSA-N 438.483 5.097 30 20 IKED CC(C)(C)OC(=O)N1[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)C[C@H]2C[C@H]21 796760524 ABHGRSVHFDILAQ-UWIFEVILSA-N 443.956 5.038 30 20 IKED C[C@@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(C(F)(F)F)cc1 798350949 OBAICWGEYNOBLK-GFCCVEGCSA-N 448.495 5.463 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cc(Cl)c(Cl)cc2F)ccc1OC 799242944 NSYDYMISCLXFRT-GFCCVEGCSA-N 426.275 5.144 30 20 IKED CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 802066852 BMRDHTUPXLXEND-SFHVURJKSA-N 449.967 5.283 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)C2(Cc3cccc(Cl)c3)CCCCC2)n1 805866170 QCMNYSYUOWAWRL-QGZVFWFLSA-N 430.957 5.343 30 20 IKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(CC3CC(F)(F)C3)C2=O)cc1 813561122 DKMRTVPYYUTUGU-LJQANCHMSA-N 443.519 5.001 30 20 IKED N#Cc1cscc1C(=O)OCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 814613145 DGPBKXQRSHBFPP-UHFFFAOYSA-N 426.906 5.259 30 20 IKED Cc1sc2ncn(N=Cc3ccc4ccc(F)c(F)c4n3)c(=O)c2c1-c1ccccc1 814735778 HPLZJMKTIHNXFI-UHFFFAOYSA-N 432.455 5.142 30 20 IKED Cn1c(CSc2nc3ccccc3s2)nnc1SCc1cc(C#N)ccc1F 911648295 DTRHNLDFBFELLY-UHFFFAOYSA-N 427.555 5.020 30 20 IKED CC(=O)N[C@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1 915181346 ZBPMXESGTQIQBB-DNQXCXABSA-N 431.923 5.201 30 20 IKED O=C(/C=C\c1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1)c1cccc([N+](=O)[O-])c1 916136442 OOPDJIYKAAERMS-PJABCKPXSA-N 428.400 5.295 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2ccccc2C(F)(F)F)cs1 916259994 TULXJEUYBVTDPV-UHFFFAOYSA-N 432.471 5.909 30 20 IKED N#C[C@@H](C(=O)c1sc2ccccc2c1Cl)c1nc(O)c2c3c(sc2n1)CCCC3 916845743 HPAHFSDSZIGCCV-LBPRGKRZSA-N 439.949 5.634 30 20 IKED Cc1ccc(SCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(C)c1 916906020 AIKIRZJLAROPRP-HXUWFJFHSA-N 430.529 5.535 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C=C\c1ccccc1OC(F)(F)F 916911105 ZENKBQRINMAFHH-SQVRQVGWSA-N 430.426 5.071 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(Cc3ccccc3)nc2C)cc1 916915685 NQVYQAAXGDSHFG-OAQYLSRUSA-N 431.561 5.346 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)COc2ccc(Cl)cc2C2CCCCC2)cc1 916953615 VKISVXIEMFMNLZ-OAQYLSRUSA-N 440.927 5.123 30 20 IKED N#C[C@H](C(=O)COc1ccc(F)cc1Br)c1nc2cc(Cl)ccc2s1 917045383 YWOYHORGGHFLSC-LLVKDONJSA-N 439.693 5.107 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(N3CCCCC3)cc2)cs1 917563647 QXNMWAQBAWNTLH-GDNBJRDFSA-N 445.588 6.023 30 20 IKED N#C[C@@H](C(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1)C(=O)N1CCCC1 919664273 AUIHECNFWPHDJJ-KRWDZBQOSA-N 433.360 5.231 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C4SCCS4)cc3)n2)cc1 920141524 JEIXDTWUKGIHDX-GOSISDBHSA-N 433.583 5.650 30 20 IKED FC(F)Oc1ccccc1C=NOCc1csc(-c2ccc(C(F)(F)F)cc2)n1 920257016 OQAWQYAEPMKZFQ-UHFFFAOYSA-N 428.382 5.981 30 20 IKED Cc1cc2cccc(C(=O)Nc3ccc(C4(NC(=O)[C@H](S)C(C)C)CCC4)cc3)c2[nH]1 1789015902 LEZBMBCAKBXYEH-JOCHJYFZSA-N 435.593 5.178 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4[nH]ccc4n3)cc2)CCC1 1789268600 QQTSTFUPTNFLGM-FQEVSTJZSA-N 428.536 5.079 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc4nc[nH]c4c3)cc2)CCC1 1789275069 UQHLUTAFGJBJSX-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C/C(=C\c1ccc(C)o1)C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3)cc2)CCC1 1790257332 VDBHYMGQRCZGBA-OBGWFSINSA-N 439.515 5.311 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)/C=C/c3ccccc3Br)cc2)CCC1 1791683881 FJOIMOMYWXMWPJ-NTEUORMPSA-N 439.353 5.173 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc(Cl)ccc3F)CC2)C1 1804857571 IKVJEIWIBRQOSS-UHFFFAOYSA-N 434.983 5.316 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2Cl)[C@H]1c1cccnc1 1811703586 IABCCBDQAXGZIB-DENIHFKCSA-N 439.987 5.047 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3ccoc23)[C@H]1c1cccnc1 1812230390 PSQWNVDCFJBHKR-FYYLOGMGSA-N 445.563 5.140 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(C)(C)C)nc2)[nH]n1 1814825132 QNJPBLLBMAYBRY-OAQYLSRUSA-N 449.599 5.177 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3cc(C)[nH]c23)n[nH]1 1818651806 ZEFNBPLRACJPLO-UGKGYDQZSA-N 445.567 5.274 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc[nH]c3cc2Cl)n[nH]1 1818745493 XDVKPKXZVHLNEG-VBKZILBWSA-N 439.947 5.063 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ccncc23)n[nH]1 1821417472 XAOFBBXVLDEFND-QHCPKHFHSA-N 443.551 5.032 30 20 IKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2C)CC1 1823912708 OAZBLAJEGVATQJ-HSZRJFAPSA-N 429.004 5.075 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CSc2ccccc2)CC1 1826520370 LJRUZHXLXCQXEP-QHCPKHFHSA-N 442.669 5.391 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sccc2Cl)CC1 1829447782 DGCFXFHTSBAIJT-AZUAARDMSA-N 435.033 5.403 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccncc2-c2ccccc2)CC1 1829490816 FRBSMTVSTIZDPR-RLWLMLJZSA-N 445.607 5.194 30 20 IKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cc3ccc(F)cc3)cc2)CC1 1830458942 ZWHCKQUFAYIJBL-SANMLTNESA-N 448.582 5.226 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3ccoc3c2)CC1 1830908046 DCCVACDEVBGVOM-HSZRJFAPSA-N 436.596 5.659 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(Nc2ccc(OC)cc2)s1 23362334 XCONWIRVLZARQD-AWEZNQCLSA-N 446.623 5.047 30 20 IKED Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc(CC#N)cc3)[C@@H]2c2cccs2)cc1 26384182 FGKHFYRGKXJMHP-XUZZJYLKSA-N 429.545 5.246 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccccc1CSc1nc2ccccc2o1 62904850 XTMXZZRCGIEHHO-UHFFFAOYSA-N 439.540 5.820 30 20 IKED CCc1nc2ccccc2c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1C 104687541 AHGQXNYJSMQMJY-UHFFFAOYSA-N 445.573 5.373 30 20 IKED CC(C)c1ccc(N(C(=O)COc2ccc(C#N)cc2)c2nc3ccccc3s2)cc1 196388164 APBTUNXZHFSDGJ-UHFFFAOYSA-N 427.529 6.035 30 20 IKED Cc1cc(F)ccc1-c1ccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)cc1F 303651405 DYDNGQAKNVKWDP-UHFFFAOYSA-N 431.486 5.164 30 20 IKED C[C@H](Nc1cccc(NC(=O)C2CCCCC2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 426207901 AKBSZLKJFZUMBD-HNNXBMFYSA-N 436.581 5.066 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)Nc2ccc(C3CCC3)cc2)cc1 427679376 QCHQNAYMFZVIMN-UHFFFAOYSA-N 441.487 5.204 30 20 IKED CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)N(CCC#N)CC2CC2)ccc1Cl 429106591 MJONBNXBPPJVGH-UHFFFAOYSA-N 438.959 5.160 30 20 IKED Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3csc(-c4ccc(Cl)c(Cl)c4)n3)nc12 429574272 PULKHAPBBNSFEY-LLVKDONJSA-N 428.304 5.187 30 20 IKED N#Cc1ccc(NC(=O)CCc2ncc(-c3ccccc3Br)o2)c(Cl)c1 430361712 ZWELFOGOCONOGM-UHFFFAOYSA-N 430.689 5.200 30 20 IKED CC(C)(NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(F)c(F)c1 431403773 MSUBAJOQUAMICV-UHFFFAOYSA-N 435.474 5.667 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1ccccc1 433144138 BDQAQWMJLMKHIW-WBBHLRKXSA-N 431.561 5.551 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCc4ccccc4[C@@H]3CO)cc2Cl)cc1 434195283 IFDLKIKQHIMOOM-QFIPXVFZSA-N 433.895 5.128 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)N[C@H]1CCN(c2sccc2C#N)C1=O 434881213 TXMGXYZMGYOFNZ-PXAZEXFGSA-N 442.997 5.161 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1 435007669 IZYIWVAIUOPPEL-UHFFFAOYSA-N 432.263 5.083 30 20 IKED O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 435356452 RJIDFSAKTHOXBB-SECBINFHSA-N 426.357 5.340 30 20 IKED C=CCn1c(SCc2noc(-c3ccccc3O)n2)nnc1-c1ccc(C(C)(C)C)cc1 436779308 VLQRZGSXTKUBIH-UHFFFAOYSA-N 447.564 5.477 30 20 IKED CC[C@@](C)(NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1nc(C)cs1 437910984 SCXJHCISIXPOLL-XMMPIXPASA-N 434.565 5.544 30 20 IKED C=CCn1c(SCCC(=O)Nc2cc(F)cc(F)c2)nnc1-c1ccc(Cl)cc1 438797674 ZZBOMCDZZFHTDS-UHFFFAOYSA-N 434.899 5.184 30 20 IKED CCCc1c(NC(=O)N(C)[C@H](C)c2cc3ccccc3o2)cnn1-c1cccc(C#N)c1 439676612 WUXCHWYJNZJBMF-QGZVFWFLSA-N 427.508 5.668 30 20 IKED C=CCC[C@@H](NC(=O)N[C@H](c1nc(C2CC2)no1)C(C)C)c1ccc(C(F)(F)F)cc1 441523230 ZBPRYPKWOTZCSI-MSOLQXFVSA-N 436.478 5.670 30 20 IKED C=CCC[C@H](NC(=O)c1cc2c(nc1O)CC(C)(C)CC2=O)c1ccc(C(F)(F)F)cc1 441548431 ZHRCORBIIVZRSI-SFHVURJKSA-N 446.469 5.398 30 20 IKED CO[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)[C@H](C)C1 441669187 LLEKQSTXXXINAI-KUHUBIRLSA-N 433.430 5.401 30 20 IKED N#CCCCn1cc(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)c2ccccc21 444144799 VTTUPVUHNKVLJF-UHFFFAOYSA-N 448.954 5.477 30 20 IKED COc1ccccc1-c1noc([C@@H](C)NCCC(C#N)(c2ccccc2)c2ccccc2)n1 444686199 BWRDWOHOABECNH-HXUWFJFHSA-N 438.531 5.296 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)CCSc2ccc(Cl)cc2)c1C#N 445573946 XPLKWLAWPSJVCB-UHFFFAOYSA-N 428.970 5.240 30 20 IKED C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]1c1cccs1 460944202 DGTCOFXQBXQDNS-KRWDZBQOSA-N 426.611 5.558 30 20 IKED CN1CCC[C@@H](CNCc2cccc(OCc3ccccc3C#N)c2)[C@@H]1c1cccs1 462719754 SHMIPPITLJZTCE-BKMJKUGQSA-N 431.605 5.371 30 20 IKED N#Cc1ccc(Cl)cc1N1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 462853848 QIJVQBBVPSJQEA-UHFFFAOYSA-N 439.840 5.024 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(NC(=O)C(C)(C)C#N)cc2)CC1 468297034 HVAOHXPJNFRIFG-LBZQVFOQSA-N 437.971 5.627 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3cccc(OC4CCCCC4)c3)ccc21 469975644 TVOOWEXKQUVGNX-UHFFFAOYSA-N 431.536 5.233 30 20 IKED COc1ccc2c(c1)CN(C(=O)Nc1ncccc1OCCCC#N)[C@@H](c1ccccc1)C2 470504962 PINMLHZMAAQKTN-HSZRJFAPSA-N 442.519 5.104 30 20 IKED Cc1coc(-c2ccc(C)c(NC(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)c2)n1 470799488 ZTLSOEARUHSNBX-UHFFFAOYSA-N 430.386 5.415 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)c3ccc(Cl)cc3C(F)(F)F)n2)c(Cl)c1 472015376 BQYSUSBEAKFPOT-UHFFFAOYSA-N 425.197 5.322 30 20 IKED C=C(C)[C@H](NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1)c1ccc(F)c(F)c1 475673763 ISUDXJLJKSJRJA-DEOSSOPVSA-N 426.463 5.125 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@H](C)c1ccccc1 476652391 BMGUJRBZLLNLGX-IUKKYPGJSA-N 445.950 5.242 30 20 IKED C=CCSc1ccccc1C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1 486222670 WYSKPAXXPAYWKY-UHFFFAOYSA-N 439.558 5.413 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)NC23CCC(C(F)(F)F)(CC2)CC3)c1 488465390 ORHZSPUAHCTEGA-UHFFFAOYSA-N 428.454 5.522 30 20 IKED Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 489286520 FQLQQXUEEAIHMB-UHFFFAOYSA-N 438.896 5.098 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)Nc3cc(C)c(Cl)cc3OC)o2)cc1 489787784 GFJMLAHMRSQPEC-UHFFFAOYSA-N 445.928 5.003 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3cccc(C(=O)NCc4ccco4)c3)o2)cc1 489805980 CXNXYNASZKTZLO-UHFFFAOYSA-N 447.516 5.117 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@@H](c1cccs1)n1cccc1 497113890 JUBAHXRMKAEOJP-DEOSSOPVSA-N 441.556 5.927 30 20 IKED CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 497456051 XDSNGNRXPYNMLO-DENIHFKCSA-N 449.620 5.008 30 20 IKED CCCC(=O)Nc1cccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1C 502460889 UZNHLFNGQCUOOY-UHFFFAOYSA-N 443.551 5.380 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 502941942 SFZSBOAVSGWGTB-UHFFFAOYSA-N 433.471 5.277 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(-n3cccn3)cc2)cc1Cl 503337566 CICGNJOFZFQHBT-HSZRJFAPSA-N 441.922 5.503 30 20 IKED C[C@H](Nc1cccc(OCCCC#N)c1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 503994742 QSXDBBZIPXGQBA-KRWDZBQOSA-N 448.548 5.122 30 20 IKED N#C[C@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1cccc(Cl)c1Cl 505337304 GVDPWFXESXUXPG-INIZCTEOSA-N 430.316 5.302 30 20 IKED CCOC(=O)c1c([C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)nc2ccccc2c1C 505431806 AWPZFQOAOTWFBT-OAHLLOKOSA-N 442.302 5.273 30 20 IKED CCc1cccc2c(C3CCN(C(=O)c4cc(C)n(-c5cccc(C#N)c5)n4)CC3)c[nH]c12 505799425 QEWRUZJTLTUPOC-UHFFFAOYSA-N 437.547 5.116 30 20 IKED C[C@H]1CCCCN1C[C@H]1CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 505946366 HWIIUSUNEWNBNI-XUZZJYLKSA-N 447.648 5.577 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(OC3CCCCC3)CC2)cc1 508284026 DRCFXJQWHWKAPZ-UHFFFAOYSA-N 449.551 5.705 30 20 IKED N#CCC[C@@H](C#N)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1 508519927 MQWBADDONQJNFR-ZDUSSCGKSA-N 432.336 5.429 30 20 IKED CCCN(CC)C(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1 511783741 DEKLJQWLJJWSHI-UHFFFAOYSA-N 443.572 5.510 30 20 IKED Cc1ccc(OCc2cccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c2)cn1 512976086 SGBYLQOATGGLON-IBGZPJMESA-N 432.430 5.204 30 20 IKED Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 513191655 SFNVKDLPIFGZNV-FQEVSTJZSA-N 446.432 5.752 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(OCc3ccncc3)cc2)c1 513237859 GMJAAUROCLBBIH-UHFFFAOYSA-N 435.483 5.364 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(OC(F)F)c2)cc1 513982832 IQXUUJPILGLVGN-UHFFFAOYSA-N 425.410 5.533 30 20 IKED COc1c(C)cc(CN(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1C 513986165 XAFMJBRCKUQBAT-UHFFFAOYSA-N 443.547 5.621 30 20 IKED CCc1cccc2c1OCC[C@@H]2NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 513996445 IHIPKBSRFLYAEE-QHCPKHFHSA-N 440.503 5.018 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)NC3(C#N)CCCC3)cc12 514740656 LSGLBLYTWDNRQV-UHFFFAOYSA-N 433.364 5.328 30 20 IKED CC(=O)Nc1cccc([C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 516841738 BIXWIDAQGSDSDG-QGZVFWFLSA-N 429.545 5.300 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1CN1CCCC[C@H]1C 520196001 UDQGIJHQXTXLNL-WOJBJXKFSA-N 436.625 5.777 30 20 IKED Cc1nc(O)cc(-c2ccc(NC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)cc2)n1 520468851 YKKSGUHPGPEMHK-UHFFFAOYSA-N 437.459 5.466 30 20 IKED Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 524128376 OOSJLJHEHLYFER-URXFXBBRSA-N 439.559 6.050 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl 525235161 UJVQEGYNFQOGRC-UHFFFAOYSA-N 426.948 5.184 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N(C[C@H]2CCCO2)c2ccncc2)cc1Cl 534171633 PIBBLPGKGOSVQG-HXUWFJFHSA-N 433.895 5.225 30 20 IKED COc1ccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1-c1ccccn1 534382514 XXLDFKJALKAAAT-UHFFFAOYSA-N 437.524 5.708 30 20 IKED C=C[C@H](CC(=O)N1CCC[C@H](N(C)C(=O)C[C@H](C=C)c2ccccc2)CC1)c1ccccc1 536232750 MJIJXWSOSZXDTD-XFAFFCHDSA-N 444.619 5.546 30 20 IKED Cc1ccc(-c2ncco2)cc1NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 536283210 AWHLOMRIQYJBNP-UHFFFAOYSA-N 437.459 5.418 30 20 IKED COc1ccccc1COC1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 536733852 IQHYLFVUIUKGNQ-GOSISDBHSA-N 439.581 5.160 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1C[C@H]2CCC(C)(C)c3cccc1c32 537385067 VLHSRNVWTWWCQI-LZJOCLMNSA-N 447.604 5.436 30 20 IKED COc1ccc(CCN(Cc2ccsc2)C(=O)c2ccc(C3(C#N)CC3)cc2)cc1OC 539658091 NYQQPLNBZXNXOZ-UHFFFAOYSA-N 446.572 5.206 30 20 IKED CN(C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 542635637 LGJCRGSMGQRNPQ-RCZVLFRGSA-N 445.494 5.874 30 20 IKED COc1cc(CN[C@H](C)c2nc(C(C)(C)C)cs2)ccc1OCc1cccc(C#N)c1 544486048 ATHUYSZTCCYYJS-QGZVFWFLSA-N 435.593 5.751 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)NCC2(c3c(Cl)cccc3Cl)CCC2)CC1 548820684 GJEJVVMACRAUJB-UHFFFAOYSA-N 443.378 5.077 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1 551456024 TWKKSLVRWMWTFH-CQSZACIVSA-N 425.410 5.139 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 553082079 PJOAYTRBGHKEQI-IZZNHLLZSA-N 431.532 5.059 30 20 IKED N#CC(CCN1CCCC[C@H]1c1nnc(C2CCC2)o1)(c1ccccc1)c1ccccc1 554274926 FADFINCJKCJNQT-DEOSSOPVSA-N 426.564 5.764 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H](C(F)(F)F)C4(CCC4)C3)cc2)c1 554878170 WOZLAUXXISAKIO-HXUWFJFHSA-N 429.442 5.937 30 20 IKED N#C[C@H](C(=O)c1coc(C2CCOCC2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 555132108 HRXSIFVFKPTZFB-CQSZACIVSA-N 448.331 5.489 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1 557565924 WXZQYLPXHGGHOV-OYRHQHFDSA-N 442.490 5.134 30 20 IKED C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 558315050 JNSXZTYRDPVORY-ZBLYBZFDSA-N 439.559 6.337 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NC[C@H](OCC3CC3)c3ccc(Cl)cc3)cc2)nc1 560708362 GMQMUJSMMFCBLY-QHCPKHFHSA-N 447.922 5.297 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](Sc1ccccc1F)c1ccccc1 566906763 ZXCNNLIHFWNYSG-SBUREZEXSA-N 436.577 6.550 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCn2c(cc3c(Cl)cccc32)C1 572330203 ZUBXFYWDYRMODV-MRXNPFEDSA-N 438.984 5.143 30 20 IKED COc1ccc(CN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C(C)(C)C)cc1 574117760 UDSNISOQNORHJS-SFHVURJKSA-N 425.598 5.329 30 20 IKED N#C[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccc(OCc2ccccc2)cc1 591192873 RLKCJTCKBJNBBD-AREMUKBSSA-N 438.527 5.098 30 20 IKED O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F 591780692 HWMQNFQHWORTFO-UHFFFAOYSA-N 449.301 5.798 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 601186438 RCSZJYMKBNMHDI-HZPDHXFCSA-N 441.375 5.076 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cnc2onc(C(C)C)c2c1 603532445 HXMYNXFQPBINAC-UHFFFAOYSA-N 428.467 5.512 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OCc4cccnc4)cc3)n2)cc1 603627423 KAYAGAIYCPLGMJ-JOCHJYFZSA-N 441.512 5.283 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl 603759172 WIMNLCIBTPJKLI-SFHVURJKSA-N 426.259 5.809 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3cc(-c4ccco4)n(-c4ccc(Cl)cc4)n3)[nH]c12 605363060 FTRAYEYNVAKINV-QGZVFWFLSA-N 441.878 5.461 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)o2)cc1 609055708 QLIRTDHOCJGPSR-UHFFFAOYSA-N 435.439 5.791 30 20 IKED Cn1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(C2CCCCC2)n1 609105457 WNSVJIQQUAALGJ-UHFFFAOYSA-N 432.499 5.310 30 20 IKED COc1ccc(C[C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC 609318027 GPESAFZBGDBIER-KRWDZBQOSA-N 431.492 5.120 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Br)cc1F 609378455 MYAHMZLXSXFRJN-UHFFFAOYSA-N 447.251 5.865 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2ccccc2F)on1 609381720 PPQURQMCEFLOOS-UHFFFAOYSA-N 435.402 5.758 30 20 IKED N#Cc1ccc(NCC(=O)Nc2cccc(NC(=O)Nc3cccc4c3CCCC4)c2)cc1 609430277 JRNJVIXFMHRSRC-UHFFFAOYSA-N 439.519 5.132 30 20 IKED CSc1ccc(-c2csc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)n2)cc1 609497286 AFEACFWKIFNOKM-UHFFFAOYSA-N 444.541 5.843 30 20 IKED CC(C)n1c([C@@H](C)NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)nc2ccccc21 609883427 LKYFTMBVRKOPBP-LJQANCHMSA-N 438.531 5.967 30 20 IKED Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 609987778 BHNCZQJHISFLBX-UHFFFAOYSA-N 442.588 5.411 30 20 IKED CN(C)C(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 610061675 QYQUFHRVIQWEOK-UHFFFAOYSA-N 434.883 5.350 30 20 IKED N#C[C@@H](NC(=O)Cc1c[nH]c2ccc(Cl)cc12)c1ccc(OCc2ccccc2)cc1 610063311 OBDHDLMBIKTENG-XMMPIXPASA-N 429.907 5.324 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc1 610224354 ZZWLDXSRVFRZEO-ROUUACIJSA-N 427.253 5.560 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC(F)F 613319822 POWSWVJEWZQPGN-CQSZACIVSA-N 434.851 5.564 30 20 IKED Cc1nc(-c2ccc([C@H](C)NCc3cn(CCC#N)nc3-c3ccccc3)cc2)cs1 617179528 OZZRZWMBMXZIKJ-SFHVURJKSA-N 427.577 5.747 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1CCCOc2ccc(F)cc21 618948266 OGFIWFWNPBUHPA-UEKVPHQBSA-N 442.375 5.248 30 20 IKED N#C[C@@H](C(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1ccc2ccccc2n1 623584346 PIFKPUCHLHGZRY-GOSISDBHSA-N 447.420 5.202 30 20 IKED O=C(c1sc(-c2ccccc2)nc1C(F)F)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 677758938 WUBGSSSSVOXBCD-AOOOYVTPSA-N 444.347 5.561 30 20 IKED CC(C)(C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(Cl)cc1F 682702606 AABMHCMEKCLIOI-NXEZZACHSA-N 433.795 5.782 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1c(Cl)cc(F)cc1Cl 683304490 RMRCUBVILLFOQN-QMSLJYSESA-N 426.159 5.772 30 20 IKED C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 685695364 KULFNILIOBGSLS-MNOVXSKESA-N 438.347 5.225 30 20 IKED C=CCn1c(-c2ccco2)nn(CNC2(c3ccc(Br)cc3)CCC2)c1=S 725773439 XAYUVUNUOJMCQZ-UHFFFAOYSA-N 445.386 5.249 30 20 IKED CN(C(=O)c1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)C1CCCCC1 727590359 IYTBKHWHPBSFFM-UHFFFAOYSA-N 430.552 5.159 30 20 IKED CC(C)(C)CN(CCC#N)Cn1nc(-c2ccncc2)n(-c2ccc(Cl)cc2)c1=S 729467988 KTAHVOLSUMWXRF-UHFFFAOYSA-N 441.004 5.338 30 20 IKED N#CCCN(Cc1cccnc1)C(=O)c1sc2cc(Br)ccc2c1Cl 729842227 UUNSFVOIPPWZRZ-UHFFFAOYSA-N 434.746 5.268 30 20 IKED CN(C(=O)c1cccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)c1)c1ccccc1 729888367 DTMKSGQWRMGUQK-XMMPIXPASA-N 447.494 5.078 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](c1cc(Br)ccc1F)C(F)(F)F 730405826 NIHWEGPOEWETOF-QLJPJBMISA-N 446.194 5.074 30 20 IKED CCCOc1ccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)cc1 730584726 ZUSMMASHIOHNHC-UHFFFAOYSA-N 437.352 5.124 30 20 IKED CN(C(=O)OC(C)(C)C)C1CCN(C(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 730664917 QHEUYWUWSWMVMD-UHFFFAOYSA-N 439.581 5.011 30 20 IKED CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 731462237 IVVPOPGRVLNUMP-UHFFFAOYSA-N 440.908 5.050 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)c1 733786333 FQCTVUVQWIXUPR-HMXCVIKNSA-N 431.561 5.343 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2N2CCc3ccccc32)c1 733842942 GCGRYZMGLFPLOU-NRFANRHFSA-N 426.520 5.383 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)[C@@H]3C[C@@H]3c3ccccc3OC(F)(F)F)c2)s1 741194506 YKZJRUCEOHGTSQ-RTBURBONSA-N 442.462 5.605 30 20 IKED C#Cc1cccc(NC(=S)N(Cc2ccccc2)[C@H]2CCOc3ccc(OC)cc32)c1 741862537 RYEYWZJPLZXRQJ-DEOSSOPVSA-N 428.557 5.399 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H](C)c2ccc(Br)s2)cc1 744029049 QALHVTYATXCWFK-XJKSGUPXSA-N 433.371 5.304 30 20 IKED CCOc1cc(-c2ccccc2)sc1C(=O)OCc1nnc(-c2cccc(C#N)c2)o1 744811435 GUFOPZLWWIWLKT-UHFFFAOYSA-N 431.473 5.092 30 20 IKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@H](Sc1ccccc1Cl)c1ccccc1 744975128 HWVYMSOPHQIKGK-ITSWEJNFSA-N 444.984 5.160 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)cc2)C[C@H](C)O1 747387515 FBPILCLVPOQPEP-PMACEKPBSA-N 441.531 5.003 30 20 IKED C/C(=C\C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 748186718 SJWAWHPJEWJZPB-NQCFCXBZSA-N 433.314 5.698 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccccc2)o1 748907572 RNWSEAAVOFVPHU-MRXNPFEDSA-N 436.489 5.119 30 20 IKED CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2ccc(C#N)s2)NC(=S)N1c1ccccc1 749013766 FKFTUFRHCFYIEI-JOCHJYFZSA-N 444.585 5.277 30 20 IKED Cc1nc(-c2ccc(CNC(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cc2)cs1 749210816 IZLFPDUEDZTFEN-UHFFFAOYSA-N 441.516 5.499 30 20 IKED CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)OCC2CCC(C#N)CC2)cc1 755974084 NAVCQQNSOCPIKI-UHFFFAOYSA-N 443.590 5.118 30 20 IKED Cc1ccc(-c2cncc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)c2)cc1 758092356 XZCJYQWBLNPPDE-SFHVURJKSA-N 445.544 5.247 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](O)c2cc3ccccc3s2)cc1 758220238 DGFQHHPSZPLQPA-FCHUYYIVSA-N 427.529 5.412 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc2c(c1)CCCC2 761077772 JUCBJSNTRVJYPA-AFMDSPMNSA-N 437.543 5.037 30 20 IKED C#CCNC(=O)c1cccc(-c2noc([C@H](C)Sc3ccnc4cc(Cl)ccc34)n2)c1 761796452 QVLYIBSJAUFHRJ-AWEZNQCLSA-N 448.935 5.155 30 20 IKED CC(=O)N(c1nc(/C=C2/Cc3ccc(Cl)cc3C2=O)cs1)c1ccc(F)cc1F 762448712 XXSUCFXWYOIUCM-QPEQYQDCSA-N 430.863 5.582 30 20 IKED C[C@@H](OC(=O)CC(c1ccccc1)c1ccccc1)C(=O)N(CCC#N)c1ccccc1 765949164 PGZNIEFSJLYZTN-OAQYLSRUSA-N 426.516 5.087 30 20 IKED COc1cc(OC(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)ccc1C#N 767158596 GNMLIRSKFMLEEW-ZDUSSCGKSA-N 428.897 5.103 30 20 IKED CC(C)(C#N)c1ccccc1COC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F 768023454 QSILRWWGVJBMMM-UHFFFAOYSA-N 430.842 5.016 30 20 IKED N#C[C@@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)C(=O)Nc1ccc(F)c(Cl)c1 769944061 CHJMQUPMGZJDSZ-JGWKKKPCSA-N 445.199 5.426 30 20 IKED O=C(/C=C/c1ncc(-c2ccccc2)s1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 770571584 FTJSWNQYBMCBIA-ZHACJKMWSA-N 437.464 5.042 30 20 IKED C[C@H](CSCc1ccccc1)C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 772966293 ZLDPLQNKYQFAMC-PBHICJAKSA-N 437.590 5.021 30 20 IKED O=C(NOCc1ccc(C(F)(F)F)cc1)N[C@@H](c1cccc(F)c1F)C(F)(F)F 776018132 AGNFGRBGAYTWEM-AWEZNQCLSA-N 428.279 5.018 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ccc3[nH]ncc3c2)cs1 779817969 VVJFDOAROFVGDQ-UHFFFAOYSA-N 444.442 5.169 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)n1 782685458 FKLKELMGMAYOFA-GOSISDBHSA-N 427.842 5.045 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(C(F)(F)F)c(F)c1C 785881332 WPOYKTGJFKVJGE-LBPRGKRZSA-N 442.796 5.085 30 20 IKED C#C[C@H](Cc1ccccc1)OC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 786966312 QMMFJJSLQZYLRH-QGZVFWFLSA-N 429.303 5.154 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccsc2)N(Cc2cccs2)C1=O)Nc1ccccc1F 790735307 DAHUBEUMOWQWGD-KRWDZBQOSA-N 445.566 5.109 30 20 IKED N#C[C@H](C(=O)CCc1ccccc1C(N)=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 796642340 BMQWORLOOFJNQB-MRXNPFEDSA-N 444.343 5.025 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)c1nc(-c2ccncc2)cs1 796662022 OMTPLYYDAILYOM-GVDBMIGSSA-N 429.423 5.084 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2c(C)cc(C)cc2O)cs1 799894862 HDYIFPKPIYGQKH-TWGQIWQCSA-N 426.925 5.700 30 20 IKED Cc1cc(C=Nn2c(S)nnc2-c2cccc(Cl)c2)cc(C)c1OCc1ccccn1 915951289 KWAQKZLLBZHROM-UHFFFAOYSA-N 449.967 5.360 30 20 IKED CCOc1ccc(/C=C(/C(=O)Nc2cccc(OC)c2)C(=O)c2ccccc2)cc1OC 916156209 NJVFXCQCFZJONO-PXLXIMEGSA-N 431.488 5.008 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCC(=O)c1ccc2ccccc2c1 916902367 FGLSRQIVILAMSG-QHCPKHFHSA-N 426.516 5.275 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 916903249 QFJSZHFSFVVFAA-YJBOKZPZSA-N 442.943 5.069 30 20 IKED Cc1ccc(Cl)c(O[C@@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 916910808 UMLKFNYLEJBJDI-PKOBYXMFSA-N 448.906 5.556 30 20 IKED CCOc1cc2c(cc1/C=C\C(=O)[C@H](C#N)c1nc3ccccc3n1C(F)F)O[C@H](C)C2 917041658 VYOOCUIEEZGHPI-OVULNCGTSA-N 437.446 5.043 30 20 IKED N#C[C@H](C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1nc2cc(Cl)ccc2s1 917047037 PBMCUWOOPFCJQV-ARFHVFGLSA-N 449.988 6.486 30 20 IKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccccc2)n(Cc2ccco2)c1=S 917457999 PEABQRXIVDXRNR-UHFFFAOYSA-N 443.576 5.464 30 20 IKED N#C[C@@H](C(=O)Cc1cc2ccccc2o1)c1nc(-c2ccc(Cl)cc2Cl)cs1 920111848 ZVIZWLJFLKONPD-INIZCTEOSA-N 427.312 6.282 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3ccncc3-c3ccccc3)CCC2)cc1 1785933530 NNQBCIXZOMCDMF-UHFFFAOYSA-N 438.531 5.046 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)Cc4c(F)cccc4Cl)cc3)CCC2)C1 1785993586 DYJJWWLKIVRBQP-UHFFFAOYSA-N 426.919 5.122 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccco4)cc3)CCC2)c1 1786915871 NLIQMOJIOGHGKX-JXOMPUQVSA-N 439.515 5.368 30 20 IKED CCCCCc1cccc(CC(=O)Nc2ccc(C3(NC(=O)CCC#N)CCC3)cc2)c1 1790381770 BUFIDFYRFFZQGE-UHFFFAOYSA-N 431.580 5.400 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3C3CC3)CCC2)cc1 1790569148 CTQOBLZIHDDEPY-GOSISDBHSA-N 433.552 5.113 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5cc[nH]c5c4)CCC3)cc2)cc1 1790707838 SAKCYFKWJOVSBH-UHFFFAOYSA-N 448.526 5.295 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3onc4ccccc34)cc2)CCC1 1790904498 JWVGTLICRURRGF-FQEVSTJZSA-N 429.520 5.344 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(C(F)(F)F)c1F)C2 1798591995 YMTNKXHAVDBRIF-MUJYYYPQSA-N 440.481 5.089 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)[nH]n1 1821920076 CVMYUTXAAKGVAF-RMYQPGKMSA-N 440.975 5.071 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)n[nH]1 1822104544 JVFSNQKDKOEOED-LNLFQRSKSA-N 436.547 5.076 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccoc3s2)CC1 1827410025 CLLDWQYOGMGDDA-FQEVSTJZSA-N 442.625 5.720 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)C1 1828396780 HIUYJOWELXYUMB-SMIHKQSGSA-N 441.015 5.029 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3cc[nH]c23)CC1 1828828051 CQBJTWJAUGQEER-LADGPHEKSA-N 433.596 5.170 30 20 IKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCCC(C)(C)C)CC1 1831574110 HBNNRHGYAKXJES-DEOSSOPVSA-N 448.692 5.586 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(F)cc2F)cc1 11249036 OCORZMIZHGVLRO-UHFFFAOYSA-O 433.450 5.144 30 20 IKED C[C@H](OC(=O)c1sc2ccccc2c1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 22926147 NLSYAGCSNAWXKQ-JTQLQIEISA-N 430.938 5.161 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(Nc3ccccc3F)s2)cc1 23210379 SJWVMEUJCKDDJN-OAHLLOKOSA-N 441.557 5.157 30 20 IKED Cc1cc(F)ccc1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 24636908 QTARVHFTEYNANY-UHFFFAOYSA-N 431.311 5.610 30 20 IKED N#CCc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1 26047330 VMLPIESFBLHLOQ-UHFFFAOYSA-N 428.492 5.233 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccccc1-c1ccccc1 46667696 KMJILZVHHSNYGV-UHFFFAOYSA-N 435.483 5.739 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccnc1SCc1c(C)noc1C 60554109 BTXZEHTXMNAFMT-UHFFFAOYSA-N 433.986 5.522 30 20 IKED C=C(C)COc1cc(/C=C(/Cl)c2nnc(C(=O)Nc3ccccc3)s2)ccc1OC 60822190 XILSNYHKJWURTF-GZTJUZNOSA-N 441.940 5.491 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3ccc(Oc4cccnc4)c(F)c3)c2)c1 63549204 ZPWIGQQDMLDQFG-UHFFFAOYSA-N 439.490 5.753 30 20 IKED CC[C@H](C#N)Oc1cc(CNc2ccnc3c(Br)cccc23)ccc1OC 301299816 WXHUWXXTOPPWQC-OAHLLOKOSA-N 426.314 5.299 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(Br)c(F)cc1F 428203905 ZDLXURYZLKPEMI-UHFFFAOYSA-N 444.235 5.347 30 20 IKED CCCc1nc(C)c(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1 428346346 HEUVOOSOLLZHFM-OAHLLOKOSA-N 448.329 6.366 30 20 IKED COCc1nc2cc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)ccc2o1 431509510 CVHPSWUOODPGIY-UHFFFAOYSA-N 429.501 5.390 30 20 IKED N#CCCC[C@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 433169937 ZBVJQXOISOXCOG-QHCPKHFHSA-N 430.464 5.944 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3occc3Br)cc2Cl)c1 433728118 RXRAJXVJAYAISL-UHFFFAOYSA-N 431.673 5.398 30 20 IKED Cc1cc(C)cc(CN(C)C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 434615460 DOEORMOIGYWAGT-QHCPKHFHSA-N 445.950 5.209 30 20 IKED C[C@H](CN(C)Cc1cn(CCC#N)nc1-c1ccncc1)Oc1ccc(Cl)c(Cl)c1 434987974 WZAIKPHFZIEXJS-MRXNPFEDSA-N 444.366 5.065 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N2CC[C@@H](C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 437410915 UQTLOGRGSHFXPQ-QRWLVFNGSA-N 431.458 5.236 30 20 IKED CC(C)c1[nH]nc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1Br 437458064 CDYPMIQBMDZZKE-UHFFFAOYSA-N 443.276 5.351 30 20 IKED Cc1c([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)cnn1C 438511259 GHBVWHIZNHNVQG-CYBMUJFWSA-N 443.429 5.294 30 20 IKED N#CCC[C@@H](NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1)c1ccccc1 439664716 HAFJRTMRFQMRNH-HXUWFJFHSA-N 435.574 5.254 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1C#N 445563265 JKLMFHWWBHXWNL-UHFFFAOYSA-N 436.846 5.390 30 20 IKED CSc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 446347493 ZWGQNHDUOORUDR-UHFFFAOYSA-N 437.908 5.303 30 20 IKED CS(=O)(=O)c1cccc([C@H](NCC#Cc2cccc(Cl)c2)c2ccc(Cl)cc2)c1 448078673 VMXZXTZPKZLPEB-HSZRJFAPSA-N 444.383 5.128 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4noc(C5CC5)n4)CC3)cc2)cc1 462264125 UPNSJWXOLIUGOQ-UHFFFAOYSA-N 429.480 5.022 30 20 IKED C[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)Oc1ccccc1F 466176779 KELPCQSFSQUCTQ-GOSISDBHSA-N 435.474 5.016 30 20 IKED C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)Nc2ncccc2OCCCC#N)C1 466620125 ZFHBYAMUNWKFFL-YJBOKZPZSA-N 432.446 5.398 30 20 IKED COCc1ccc([C@@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)o1 467161936 PGRYEBLHPZLQFR-GMAHTHKFSA-N 449.938 6.104 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1 467921192 RDTGZIWLIWSPNX-UHFFFAOYSA-N 435.568 5.824 30 20 IKED COc1ccc([C@@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2ccc(F)cc2)cc1 468890875 HDKXASKSBMNXDR-MHZLTWQESA-N 443.522 5.619 30 20 IKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)C[C@@H](CC#N)c1ccccc1)CC2 474413752 PJWOJBPFSNXHHT-NIYFSFCBSA-N 446.572 5.327 30 20 IKED CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)C[C@@H](CC#N)c2ccccc2)c1 474592643 IGOSQICCHQBLHJ-HFZDXXHNSA-N 439.559 5.822 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC2CCN(C3CCCCC3)CC2)cc1 476002785 MIGHYCIGQSXESG-UHFFFAOYSA-N 448.586 5.206 30 20 IKED N#CCCCOc1cccc(NC(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)c1 480026068 NEVFSTIEQVHUQZ-UIOOFZCWSA-N 426.516 5.690 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(c4ccsc4)CC3)c2)cc1 486543109 WBYJZGNVIZTYJY-UHFFFAOYSA-N 431.561 5.805 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1cccs1 489448311 RIBPZVUUKDOHHJ-LLVKDONJSA-N 439.393 5.619 30 20 IKED C=CCn1c(SCc2nnc(Cc3ccccc3C)o2)nnc1-c1cccc(Cl)c1 489634800 OMQFWMPSFCXRBH-UHFFFAOYSA-N 437.956 5.359 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 490796009 LJSGYRDAPKFAQO-IBGZPJMESA-N 432.402 5.077 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCSc2ccc(Cl)cc2)cc1C 497536230 PRWHMRWBPIGITD-UHFFFAOYSA-N 438.984 5.256 30 20 IKED C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1ccccc1Sc1ccccc1C#N 500219157 LLKAUBNHHQZDNJ-LJQANCHMSA-N 443.572 5.001 30 20 IKED CC[C@H](C)n1c(SCCC(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccccc1 504282811 WXSTYRPSHHGERE-HNNXBMFYSA-N 439.972 5.562 30 20 IKED C[C@@H](Nc1ccc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1)c1ccccc1 510008229 PXGUCXWRJGZXAY-LJQANCHMSA-N 442.538 5.726 30 20 IKED CCN(CCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1C 511411469 ADFVEMFVGYKECF-UHFFFAOYSA-N 442.563 5.288 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(-n3cccn3)cc2)cc1 513943200 YRYOMZXKTLATAP-UHFFFAOYSA-N 425.467 5.117 30 20 IKED N#Cc1ccccc1COc1cccc(CN2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c1 515710253 CEWKJSCHVYFIAU-BJKOFHAPSA-N 444.535 5.099 30 20 IKED COC(=O)CCc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 519134484 BPHHARBFYCHEGH-UHFFFAOYSA-N 430.529 5.208 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)COc1ccccc1C(F)(F)F 519451149 RJSPUBHSOQSMLR-LSDHHAIUSA-N 437.487 5.546 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)CCc2nc3cc(Cl)ccc3s2)CC1 520337135 BZAKOAJVMTXPNX-UHFFFAOYSA-N 439.968 5.260 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F 520653446 NLEXUPYJSQCBFA-OAHLLOKOSA-N 426.394 5.775 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC3CCN(Cc4ccc(F)cc4)CC3)cc2)cc1 521102085 HVWPHKFIJHPIQL-UHFFFAOYSA-N 443.522 5.078 30 20 IKED CCCOc1c(Br)cc(Br)cc1CNCc1cccc(C#N)c1 521820229 BHJNHXIVCZJPQA-UHFFFAOYSA-N 438.163 5.162 30 20 IKED CN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@H]1CCCN(c2ccccc2)C1 522343451 WAFPAHOAVDZPPW-NRFANRHFSA-N 429.495 5.231 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cc3c(cc2Cl)OCCO3)c1 522572041 IAYMWLMDPOOUMQ-UHFFFAOYSA-N 441.270 5.681 30 20 IKED Cc1ccc([C@H](CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)N(C)C)cc1 523643119 IUKOUKIOWRRVEY-SANMLTNESA-N 444.554 5.021 30 20 IKED Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3cc(CC#N)ccn3)c2c1C 532184181 OSWCZOUHJXAPLQ-UHFFFAOYSA-N 431.546 5.173 30 20 IKED COc1ccc(CNc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1OCCCC#N 533219272 DBNPDBCYSWXWDN-UHFFFAOYSA-N 439.899 5.489 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC2(CCN(Cc3ccccc3)C2)CC1 536486000 NXYAWCMNMDYYSQ-OAQYLSRUSA-N 448.636 5.601 30 20 IKED CC(C)CN(C(=O)c1c(F)cc(C#N)cc1F)c1nc(-c2ccccc2[N+](=O)[O-])cs1 538256890 DKAPSODQHOURPX-UHFFFAOYSA-N 442.447 5.171 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 539426790 SEFZZGFTBQWIRY-UGKGYDQZSA-N 432.911 5.203 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CSCc1ccc(Br)c2cccnc12 542222203 DPNZVVGYLKIWRZ-UHFFFAOYSA-N 446.757 5.394 30 20 IKED Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 543355510 DBOWKEIIJXERMY-UHFFFAOYSA-N 429.524 5.484 30 20 IKED COc1cccc2c1CCN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)c(Cl)c1)C2 543880547 BFKZPQMARLUXNI-UHFFFAOYSA-N 447.922 5.389 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1cccc(F)c1F)C(F)(F)F 544128119 CEQCJJQDHBJZNY-HXPMCKFVSA-N 443.441 5.191 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(Br)c2Cl)o1 549024304 HKSSWLSDXSOSPP-UHFFFAOYSA-N 431.673 5.398 30 20 IKED C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 549735792 LAUMGCPWSZGBOL-FQEVSTJZSA-N 433.021 5.195 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc2n[nH]cc2c1 554400826 FIEZZFOCLRQBAN-QVKFZJNVSA-N 429.911 5.754 30 20 IKED COc1ccc(NC(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)c(C(F)(F)F)c1 558243409 BKJTUZHRVPTDRS-CQSZACIVSA-N 428.279 5.417 30 20 IKED CC(C)CN(C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)c1ccc(C#N)cc1 559515421 QURMGKFXYIXNKL-UHFFFAOYSA-N 425.960 5.177 30 20 IKED C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)CCCCOc1cccc(C#N)c1 561066895 GUDVJJMXPQLVPF-HTAPYJJXSA-N 446.469 5.115 30 20 IKED Cn1c(Cc2cccs2)nc2cc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)ccc21 561978367 KLLKSCFCLJHBPF-INIZCTEOSA-N 434.590 5.470 30 20 IKED C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N(C)CC(=O)Nc1c(C)cccc1C 569650143 KBYHCHFQPZQKGC-UHFFFAOYSA-N 444.366 5.130 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)c1C 576625776 RGELVUOLDFIDGP-UHFFFAOYSA-N 440.507 5.150 30 20 IKED N#C[C@H](C(=O)c1cccc(Oc2cnccn2)c1)c1nc(-c2ccc(Cl)cc2)cs1 584199296 ZVGDTYLKPDSBAT-GOSISDBHSA-N 432.892 5.536 30 20 IKED CC(C)c1cccc(O[C@H](C)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 603806846 QELPDUNHXMNYLH-OAHLLOKOSA-N 438.578 5.231 30 20 IKED COC[C@@H](NC(=O)NCc1ccc(F)cc1C(F)(F)F)c1cccc(C(F)(F)F)c1 605348980 WISCTVDOQCXDFW-MRXNPFEDSA-N 438.343 5.050 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCOc3c(OC)cccc32)cc1 608785390 XEUUFDYRYQZYEE-FQEVSTJZSA-N 445.475 5.013 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 609031589 IMUDNZMAAHLTFR-HZPDHXFCSA-N 427.253 5.560 30 20 IKED COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 609281431 GKJOYCZHTZKACT-QFIPXVFZSA-N 428.492 5.513 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl 609402906 HEEQEOFBRPUENB-JKSUJKDBSA-N 431.964 5.970 30 20 IKED CCN(C(=O)CCCCOc1ccc(Br)cc1)[C@H](C)c1ccc(C#N)cc1 609407467 SBIFIKJQNOKTBD-QGZVFWFLSA-N 429.358 5.480 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCc4ccc(O)cc4CC3)cc2Cl)cc1 609927942 ACUSMENCUHQJEY-UHFFFAOYSA-N 433.895 5.342 30 20 IKED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N(Cc1cccs1)c1ccc(F)cc1 609986517 BCCDUUHGDPIMHH-UHFFFAOYSA-N 440.443 5.173 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3ccc(Cl)s3)o2)c1 610167606 RWOZFCGWDXOUGF-UHFFFAOYSA-N 432.958 5.107 30 20 IKED CC(C)N(Cc1ccc(NC(=O)N[C@H](C)c2cccc(C#N)c2)cc1)C[C@H]1CCCCO1 611622689 KBGFRNCUGFAXHK-CJFMBICVSA-N 434.584 5.220 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)N[C@H]2CCc3cc(C#N)ccc32)nc1-c1ccccc1 618845819 HRBXILOIOKWKAU-GOTSBHOMSA-N 440.547 5.871 30 20 IKED N#Cc1cc(Cl)c(C(=O)N[C@H]2CSc3ccc(Br)cc32)c(Cl)c1 618885819 LLTKHVOMLQZPAN-ZDUSSCGKSA-N 428.138 5.204 30 20 IKED N#C[C@@H](C(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1)c1ccc2ccccc2n1 619752998 RLVAGCDTRCPUGH-HSZRJFAPSA-N 432.458 5.717 30 20 IKED Cc1ccc(-c2ncc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)s2)c(C)c1 622283147 DBFUSXYRAAWDRV-IBGZPJMESA-N 440.553 5.912 30 20 IKED CC(=O)NCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 642281621 MSEJSTNEXXDBOQ-QGZVFWFLSA-N 444.343 5.243 30 20 IKED CC(C)(C)[C@H](COc1ccccc1F)NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674434732 ZAJAJXDIQWEREQ-ZOWXZIJZSA-N 444.391 5.001 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674458622 IBQBHZASOPADOG-RYUDHWBXSA-N 435.286 5.083 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N[C@H](C)Cc2ccccc2C(F)(F)F)c1C(F)F 679515579 UGHGUIOJGROZMU-SECBINFHSA-N 443.338 5.239 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 682782973 YCYQVTOTJFOAEN-DHLKQENFSA-N 434.580 5.103 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)NC23CCC(C(F)(F)F)(CC2)CC3)c1C(F)F 683782231 RCUZDIBVLDQEFO-UHFFFAOYSA-N 433.343 5.245 30 20 IKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N/[C@@H](C)c1cccs1 726421264 OZJNYZSNWMBBAC-YACQCHSOSA-N 433.574 5.077 30 20 IKED Cc1oc(-c2ccsc2)nc1CC(=O)OCCC(C#N)(c1ccccc1)c1ccccc1 727022972 FFTISQOEULOTBR-UHFFFAOYSA-N 442.540 5.697 30 20 IKED C[C@@H](OC(=O)CSc1ccc(C#N)cc1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 728677355 OPBIHKLTJINDFC-SNVBAGLBSA-N 443.739 5.181 30 20 IKED CSc1cccc(NC(=O)COC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1 730376866 LFNXWCVDJOGCSZ-UHFFFAOYSA-N 436.464 5.007 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@H]1CCc2c(OCc3ccccc3)cccc21 730426587 ADBQVLGIIUENJR-SANMLTNESA-N 443.547 5.156 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1sc2ccccc2c1Cl 731060705 JJVHQUYGNHTNSO-ZDUSSCGKSA-N 444.965 5.602 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(OCc3cccnc3)c2)cc1 733680283 YMQBIHUNCHZTHX-KOSHJBKYSA-N 427.504 5.135 30 20 IKED COc1ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)c(OC(F)F)c1 734092116 UXWXIKIVDLSWJR-UHFFFAOYSA-N 445.278 5.033 30 20 IKED COc1cc(CN2CCC([C@H](O)c3ccccc3)CC2)ccc1OCc1cccc(C#N)c1 735077447 OVZARGQPRPUNLA-MUUNZHRXSA-N 442.559 5.091 30 20 IKED CSCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1 735970179 WXOHUMGEIJQMNT-SFHVURJKSA-N 448.013 5.053 30 20 IKED CCN(C(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12)c1ccc(C#N)cc1 742223229 XZGRVGLDEDBXNI-UHFFFAOYSA-N 437.499 5.457 30 20 IKED C[C@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 743491391 LRCWSVAZOYMDGQ-HKARXFIJSA-N 446.938 5.222 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccccc1C(F)(F)F 744016406 MUDLDHUZPIKKQN-BXUZGUMPSA-N 445.466 5.274 30 20 IKED COc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2oc(C(C)(C)C)nc2C#N)cc1 746497207 CPRDWTSIJBQLAL-UHFFFAOYSA-N 440.507 5.151 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 746660766 VAORTIUZHQVEEL-HXOBKFHXSA-N 437.465 6.586 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)cc1Cl 747108595 IHDWQUNOPNILLL-ZWNOBZJWSA-N 425.699 5.106 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)n1 747196629 OTGCGNSBUFVPOJ-LJQANCHMSA-N 443.528 5.684 30 20 IKED N#C[C@H](C(=O)CCCOc1ccccc1Cl)C(=O)Nc1ccccc1Oc1ccccc1 748004186 SVTASQTULCVBHM-LJQANCHMSA-N 448.906 5.639 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccn(-c4ccccc4Cl)n3)n2)cc1 748010544 SAUZHGIFBYRRNG-MRXNPFEDSA-N 429.892 5.011 30 20 IKED N#Cc1ccccc1N1CCC(NC(=O)[C@@H](Sc2ccccc2F)c2ccccc2)CC1 749530870 QJYVDCLZAVOBRI-VWLOTQADSA-N 445.563 5.316 30 20 IKED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)CCc3c(-c4ccccc4)[nH]c4ccc(F)cc34)nc12 750723524 JGOKBCYINOLUFH-FQEVSTJZSA-N 437.478 5.363 30 20 IKED C[C@@H](OC(=O)c1ccc(Cl)c(C#N)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 754921704 NRZRNZGFSRSJAQ-SECBINFHSA-N 431.197 5.068 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C 756489571 PXTWDMOQHBJLOT-ZHALLVOQSA-N 446.617 5.380 30 20 IKED C#CC[C@H](NC(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1)c1ccccc1 757762406 PGKRXTBWEOOEJD-FPOVZHCZSA-N 434.927 5.044 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 760795666 GEFDPHGOAPSWBM-NRFANRHFSA-N 428.822 5.279 30 20 IKED C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)c2)C1 761850735 NSIBETHBOILIOV-NGXZDTIWSA-N 433.552 5.259 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN(C)Cc2cccc(Cl)c2Cl)c1=S 764857465 RMHAFFYBCAMGGJ-UHFFFAOYSA-N 434.396 5.448 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)C1 777298140 WHHVKIJFIDSBOD-LHSJRXKWSA-N 433.961 5.163 30 20 IKED C[C@@H](OC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)c1ccccc1NC(=O)c1ccccc1 777315371 YHQYMYGZGHKXND-CLOONOSVSA-N 439.515 5.084 30 20 IKED Cc1nn(-c2ccccc2)c2ncc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc12 778294789 OVMUJULPZYKVBA-NRFANRHFSA-N 435.512 5.343 30 20 IKED N#C[C@H](C(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2o1 780318999 OGUIVQLXHXIEGO-CYBMUJFWSA-N 428.288 5.121 30 20 IKED Cc1cc(C(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)nn1-c1cccc(C#N)c1 781015753 XZOFGGNALFALFY-FQEVSTJZSA-N 436.515 5.162 30 20 IKED C/C(C=Nn1c(C)nc2scc(-c3ccccc3)c2c1=O)=C/c1cccc([N+](=O)[O-])c1 787154947 NLDXSWCDGGRMGQ-CKWKSTJJSA-N 430.489 5.279 30 20 IKED N#CCCn1cc(/C=C/C(=O)c2ccc(-c3ccccc3F)s2)c(-c2ccncc2)n1 788351363 QVMKWLBSMCAQGH-VOTSOKGWSA-N 428.492 5.622 30 20 IKED C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)Cc1cccc(OCc2cccc(C#N)c2)c1 789768162 FREGIROLGAYVJB-FQEVSTJZSA-N 441.531 5.287 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1 789889433 MSIPNXZGDLNNMJ-AREMUKBSSA-N 429.560 6.180 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)C(F)(F)C1CCOCC1 790660702 UWACUHYOIXSETO-UHFFFAOYSA-N 437.352 5.360 30 20 IKED Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3ccccc3N/C=C/C(=O)C(F)(F)F)o2)c1 809685054 XTDFOXZFXQAGFX-PLSXKVAHSA-N 445.397 5.020 30 20 IKED C[C@H](Cc1cnc2ccccc2n1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 815911164 TULXMOSYOQRBKE-RDTXWAMCSA-N 432.936 5.462 30 20 IKED CCOc1cccc2cc([C@@H](C)NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)oc12 915353913 ZIUKSRHRZZPBLZ-WZONZLPQSA-N 439.515 6.370 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=NNc1ccc(Cl)c(C(=O)O)c1 916259941 KTUDFRRGDPFQHT-UHFFFAOYSA-N 437.714 5.344 30 20 IKED Cc1c(Cl)cccc1-n1ccnc1SCC(=O)[C@@H](C#N)c1ccc2ccccc2n1 916848499 KXNRMYKSBYDWED-KRWDZBQOSA-N 432.936 5.351 30 20 IKED CC(C)(C)c1ccc(/C=C/C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 916888007 SHESFXOFPQKPTR-CQTFCRGUSA-N 428.504 5.660 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 916900614 QSZGENDINZWGNF-WOJBJXKFSA-N 436.621 5.985 30 20 IKED C=CCn1c(SC[C@@H](O)c2cccc(C(F)(F)F)c2)nnc1-c1ccc(Cl)cc1 916982449 GLEPHSYJXJVQPU-QGZVFWFLSA-N 439.890 5.629 30 20 IKED N#C[C@H](C(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1nc2cc(C(F)(F)F)ccc2s1 917042581 GJEDIABPDSCUFE-SMDDNHRTSA-N 436.842 5.396 30 20 IKED COc1cc(C)ccc1C(=O)/C=C\c1csc(N(C(C)=O)c2ccc(Cl)cc2)n1 917558989 BWTREBGEYZAGSJ-XFFZJAGNSA-N 426.925 5.694 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)o1 917630239 VFNOPXRCKKLGLT-UHFFFAOYSA-N 443.484 5.041 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2CCC[C@@H]2c2cccc3ccccc23)c1=S 919951966 XWPQIRXTGMAQKI-HSZRJFAPSA-N 427.577 5.610 30 20 IKED C[C@H](OC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)Nc1cccc(C#N)c1 921225961 XODZOVXNTSZEDS-NSHDSACASA-N 446.315 5.173 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4nccn4c3)CCC2)cc1 1789626551 WVAXSDFRTOHROP-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(Cl)cc4c3)CCC2)cc1 1792266953 CIZSACMQSCVRGT-UHFFFAOYSA-N 431.923 5.049 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCCCC2(F)F)n[nH]1 1815347475 YNWFXNQLECCYCD-FUHWJXTLSA-N 436.547 5.220 30 20 IKED CC1=CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)CC1 1818810498 VFIQPFXSRZKRGZ-SELNLUPBSA-N 445.567 5.089 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)ccc2C)CC1 1824143047 DRSZUUXTKIPJFU-RUZDIDTESA-N 438.612 5.005 30 20 IKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)C(C)C)CC1 1824242432 LUJTYIFZWFMVSP-AHKZPQOWSA-N 436.640 5.240 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)CC1 1829701029 DGRXSSFIVOTYLZ-VGSWGCGISA-N 442.987 5.532 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 1831290519 HZGXGDNBGWYAND-CVDCTZTESA-N 443.031 5.204 30 20 IKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1831852031 MECHYFWKOKUFCS-JOCHJYFZSA-N 449.422 5.339 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cc3occc3n1-c1ccccc1)C2 1841057657 LJQSWBDMOOTHKQ-UHFFFAOYSA-N 445.563 5.033 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc2c(Cl)cc(C)nc2c1 1847264368 BPOMWGWOQKICQB-VXKWHMMOSA-N 439.987 5.004 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)CCC2)=C(/S)Nc1cc(C)cc(C)c1 10172658 HVBHUIDLIGCCJG-UHFFFAOYSA-O 429.609 5.693 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2cccc(Cl)c2C)cc1 11258159 PDZXIVKBUAVUQP-UHFFFAOYSA-O 441.020 5.505 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccccc1[C@@H](C)CC 32787995 MJSIMEPUKXSABP-RBUKOAKNSA-N 434.609 5.688 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1ccc(Br)s1 109264632 MHQUCMWVJDTHFS-UHFFFAOYSA-N 440.363 5.299 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C 109554492 MKDQNKPIKVKTDN-UHFFFAOYSA-N 429.480 5.022 30 20 IKED Cc1ccc(-c2csc3nc(/C(Cl)=C\c4ccc(O[C@H](C)C#N)cc4)[nH]c(=O)c23)cc1 110965897 KLVWURIVXSQDED-PZUDMAOCSA-N 447.947 5.988 30 20 IKED COc1ccc(NC(=O)NCc2ccc(F)cc2C(F)(F)F)cc1OCC(F)(F)F 195584280 PWMRPCYHISMPQD-UHFFFAOYSA-N 440.315 5.116 30 20 IKED Cc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c2cnn(C(C)C)c2n1 195633869 WVNYTIOXRNFGIT-UHFFFAOYSA-N 425.492 5.545 30 20 IKED N#Cc1ccc(Sc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccccc2)nn1 301917131 JHZROWZJUCHIHR-UHFFFAOYSA-N 439.331 5.113 30 20 IKED CC(C)[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nc(C2CC2)no1 303711098 ZCIKKADANWXZET-HXUWFJFHSA-N 436.899 5.391 30 20 IKED N#Cc1cc(Cl)cc(Br)c1NCc1cccc(COC2CCOCC2)c1 429218207 XOUXXUOALGOUQX-UHFFFAOYSA-N 435.749 5.282 30 20 IKED CN1CC[C@H](CNC(=O)N[C@H](CCCC#N)c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 431467631 ZNSAXJIDMVFQFA-PTUXOGIPSA-N 442.966 5.206 30 20 IKED CCN(CC)C(=O)Cn1ccc2cc(NC(=O)N[C@@H](CCCC#N)c3ccccc3)ccc21 432797261 KZKKNXOBJCWUOR-QHCPKHFHSA-N 445.567 5.066 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](Sc2cccc(Cl)c2)C1 433127844 UWXWQFWVNBLFMY-CRAIPNDOSA-N 432.014 5.990 30 20 IKED CC(C)N(Cc1cccc(Br)c1)Cc1cn(CCC#N)nc1-c1ccncc1 435134559 XXYZCRVWQOQKFG-UHFFFAOYSA-N 438.373 5.032 30 20 IKED COc1ccc(-c2ncc(C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)s2)cc1OC 435917566 QSJNONYQLFDKAC-UHFFFAOYSA-N 448.529 5.075 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1F 437482973 FNNZFUSYNJTQNM-KRWDZBQOSA-N 429.451 5.019 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccccc1CN1CCc2ccccc21 437894496 GTNSZTXXWXZVSQ-RPLLCQBOSA-N 436.559 5.553 30 20 IKED C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 437896582 ODIRCNDLCFBZKF-SIBVEZHUSA-N 443.522 6.086 30 20 IKED C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 437951125 HMMXCRBPZYOTCE-XDHUDOTRSA-N 447.485 6.030 30 20 IKED CCCc1c(NC(=O)N2CCC[C@@H]2c2cccc(N(C)C)c2)cnn1-c1cccc(C#N)c1 439687775 YZGRSDBWGCWYJU-XMMPIXPASA-N 442.567 5.131 30 20 IKED N#CC1CCC(CNC(=O)[C@@H](Oc2ccccc2Br)c2ccccc2)CC1 441146638 KGBAOENNIDXUDO-BPZDKFOGSA-N 427.342 5.015 30 20 IKED COc1cccc(NCc2nnc(S[C@@H](C)c3cccc(C#N)c3)n2C2CCCCC2)c1 442899560 GHXQVSRKXJUSTJ-SFHVURJKSA-N 447.608 6.129 30 20 IKED CC(C)(C#N)CCCCN1CCC(c2nc(-c3ccccc3Br)no2)CC1 444695606 MNAUILXPEHUASM-UHFFFAOYSA-N 431.378 5.399 30 20 IKED Cc1cccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 445623565 KRARPHCGICTKOG-IBGZPJMESA-N 447.560 5.150 30 20 IKED N#Cc1cccc(-c2cc(C(=O)N3CCCC[C@@H]3c3ncc(-c4cccc(F)c4)[nH]3)on2)c1 447478072 KOXNCSQQUVLMJF-JOCHJYFZSA-N 441.466 5.110 30 20 IKED CC[C@H](N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C)c1ccc(C#N)cc1 447584930 HQMGVDUWHOSZPA-IZZNHLLZSA-N 432.589 5.409 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cc([C@@H]2CCCOC2)nn1C)c1ccc(C(F)(F)F)cc1 448083028 YCTDCIZNGMHACP-SJLPKXTDSA-N 436.478 5.162 30 20 IKED N#Cc1ccc(CCC(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)cc1 460477146 RGDVEABUIZAADD-UHFFFAOYSA-N 425.410 5.013 30 20 IKED Cc1nn(C)c2cc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)ccc12 463827553 OPMNBLYTBDHLQT-UHFFFAOYSA-N 427.483 5.127 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc(Cl)c1OCC(C)C 464478533 URHZTSALIRXYRK-AWEZNQCLSA-N 426.822 5.287 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](c2ccccc2F)c2nccn2C)cc1 464863469 TVWQAIVKWWMNDK-XMMPIXPASA-N 440.478 5.051 30 20 IKED C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(F)cc1Br 469293830 VWUMHKIDYGHFRM-AWEZNQCLSA-N 430.321 5.344 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCc2nnc(-c3ccccc3)s2)cc1 470145984 CHMCAQIJYVQZGT-UHFFFAOYSA-N 426.501 5.108 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@@H]3CC=C(c4ccc(F)cc4)CC3)ccc21 470555305 HELLGYLQIQQGIA-JOCHJYFZSA-N 446.526 5.166 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCCC[C@H]1c1nc2ccccc2o1 474241739 XKXXOTIFFMDJNE-XLIONFOSSA-N 434.565 5.245 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](c1cc(OC)cc(OC)c1)c1nccn1C 475565925 XVINTEOJQOFMDD-XMMPIXPASA-N 448.567 5.200 30 20 IKED N#CCSc1cccc(C(=O)Nc2ccc(Br)cc2OC(F)(F)F)c1 475585477 DVJMBFLXVYIGQQ-UHFFFAOYSA-N 431.233 5.216 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 476700293 VNPAOHDBSRCDAS-PGRDOPGGSA-N 449.913 5.041 30 20 IKED C=C(C)[C@H](NCc1nc(-c2ccc(Br)s2)no1)c1ccc(F)c(F)c1 481589875 CATMBNYHSZWCFI-INIZCTEOSA-N 426.286 5.246 30 20 IKED N#Cc1cc(NC(=O)c2ccccc2COc2ccccc2)ccc1OCC(F)(F)F 481858609 VYQQLZIECQGNNB-UHFFFAOYSA-N 426.394 5.331 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 489288318 MBBCHZGNPFVQCP-DEOSSOPVSA-N 440.490 5.122 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)c3nc(N)c4c(C)c(C)sc4n3)o2)cc1 489784568 WOCAHVMJIJFWAI-CYBMUJFWSA-N 439.566 5.358 30 20 IKED C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1ccncc1F 496309683 LGGOTLFOVMZVMW-NSHDSACASA-N 449.433 5.041 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)cc1 498888806 CTQWUVLYFIKWBV-VWLOTQADSA-N 441.437 5.543 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)N(Cc2ccco2)c2ccccc2C#N)cc1 501018633 MYJUBXDBUORBSL-UHFFFAOYSA-N 427.529 5.668 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)c3ccc(Br)c(C(F)(F)F)c3)CC2)cc1 503862432 XKZWDTDSFMKFJO-UHFFFAOYSA-N 435.243 5.269 30 20 IKED Cc1ccc(-c2cc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c3c(C)noc3n2)cc1 503870294 HSDZGPDXBWAAKY-UHFFFAOYSA-N 434.499 5.308 30 20 IKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c12 503977563 BSHRMQGSIOKSQK-UHFFFAOYSA-N 438.462 5.139 30 20 IKED Cc1c(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)sc2nc(C(F)(F)F)ccc12 505966426 QRUJSIVOWQRKSS-ZDUSSCGKSA-N 443.372 5.637 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1 508273533 LALMJANWIDKTKJ-JOCHJYFZSA-N 447.491 5.165 30 20 IKED CC(C)CCn1c(SC[C@H](C#N)CCC#N)nc2sc3c(c2c1=O)CC[C@@H](C)C3 508355602 QQRCDCUUAOIWGK-CVEARBPZSA-N 428.627 5.165 30 20 IKED N#C[C@H](NC(=O)c1ccccc1Oc1ccncc1)c1ccc(OCc2ccccc2)cc1 509286578 PCQPJGJJDNFQQH-VWLOTQADSA-N 435.483 5.448 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(OCc4ccccc4F)cc3)CC2)cc1 509939482 MXLMZVBTLHCOLM-UHFFFAOYSA-N 445.494 5.352 30 20 IKED CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 510634610 SIDVRBWZXWQEKC-GOSISDBHSA-N 442.519 5.657 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2sc(C)cc2OC(F)F)cc1 510811698 LKHNBBVAKUUODA-UHFFFAOYSA-N 430.432 5.583 30 20 IKED CC(C)Oc1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 511419949 HRAJBSGMXQSDRS-UHFFFAOYSA-N 429.520 5.441 30 20 IKED N#Cc1cc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccc3ccccc3c2)ccc1Cl 517611181 APLVVOPBHKXRKB-XMMPIXPASA-N 439.902 5.209 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Br)c4c(c3)OCO4)n2)cc1 517793157 MLWFCSXADADYSA-AWEZNQCLSA-N 441.306 5.100 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1 518032199 FXLBXUAZAZNCTL-UHFFFAOYSA-N 447.485 5.023 30 20 IKED CCN(Cc1ccccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(C)=O 518536308 PKIVFPVCSCWFPX-UHFFFAOYSA-N 431.467 5.110 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1ccccc1Br 518668129 VKULLCFPGMQVMU-AWEZNQCLSA-N 435.412 5.573 30 20 IKED CCC[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccccc1 518676364 ABHYAISPKCUYNQ-KRWDZBQOSA-N 449.498 5.307 30 20 IKED N#C[C@H](C(=O)c1ccnc(OCc2ccccc2)c1)c1nc(-c2c(F)cccc2F)cs1 518870889 KURGKUUGGBTEDD-QGZVFWFLSA-N 447.466 5.552 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H]3CCCO[C@H]3c3ccccc3)cc2)cc1 519988968 VMRAMFJYHRZCLF-BWKNWUBXSA-N 427.504 5.640 30 20 IKED Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 520483064 KOVGCXOUDKHZQQ-UHFFFAOYSA-N 436.471 5.280 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc(-c3ccco3)nc21 521326782 GTYCZJRCVRZGHN-MRXNPFEDSA-N 445.548 5.919 30 20 IKED C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 521733822 HOCDOFLBDZWGQA-DYVFJYSZSA-N 447.482 5.558 30 20 IKED Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(C)c1 521809800 JEVZUPOCTWVOQA-UHFFFAOYSA-N 442.519 5.378 30 20 IKED C=CCn1c(SCC/C=C/c2ccc(Br)cc2)nnc1-c1cccnc1 522684789 ZXBJIHVPAJTWGO-ZZXKWVIFSA-N 427.371 5.484 30 20 IKED N#CCN(C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)C1CCCC1 523148617 UTIWZMZUBABWRG-UHFFFAOYSA-N 438.534 5.264 30 20 IKED C[C@H](Oc1ccccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 523786276 RLXVUTZPCZIWOC-FQEVSTJZSA-N 441.531 5.774 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 523957260 ZRUUFSCXRYCXDS-UHFFFAOYSA-N 435.892 5.759 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1csc(-c2ccc(Br)s2)n1 524113516 UOMDKRFAPNXMJZ-UHFFFAOYSA-N 446.395 5.558 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cccc(OC(F)F)c1 524438659 OYXSQHNZZRXRIV-UHFFFAOYSA-N 437.446 5.369 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccccc3OC[C@H]3CCCCO3)c2)cc1 524504202 KXGULTUXZCWIEL-XMMPIXPASA-N 442.515 5.337 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(CN2CCCC[C@H]2C)cc1 524566497 VHWPLEFFYBLJSN-WOJBJXKFSA-N 436.625 5.634 30 20 IKED C=CCOc1c(Br)cc(CNC2(c3ccc(OC)cc3)CC2)cc1OCC 524687894 LUICUTNJLYYEQI-UHFFFAOYSA-N 432.358 5.200 30 20 IKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C3CCN(C(=O)c4ccccc4)CC3)c2C#N)C1 525632523 PMWVKVUIUZOHIG-IBGZPJMESA-N 449.620 5.262 30 20 IKED N#CCCn1cc(C(=O)CN(Cc2cccc(-c3cccnc3)c2)C2CC2)c2ccccc21 535271543 SRJNJHTWGHEZCX-UHFFFAOYSA-N 434.543 5.464 30 20 IKED Cc1cc(NC(=O)NCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)nn1CCC#N 539719671 WDANGPZRURKINR-UHFFFAOYSA-N 443.429 5.238 30 20 IKED Cc1nc(C)c(C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1 542159807 IOUKZHRQBPLGJN-GFCCVEGCSA-N 434.258 5.362 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1 542742128 RPVRUTAJGMFHCF-ZCYQVOJMSA-N 429.495 5.084 30 20 IKED C=CCn1c(-c2ccc3ccccc3c2)nnc1N1CCC2(CC1)OCCc1ccsc12 554644996 PVJOXDNKAXKNPF-UHFFFAOYSA-N 442.588 5.414 30 20 IKED Cc1cccc(NC2CCN(c3nnc(-c4ccc(C#N)cc4)n3Cc3ccccc3)CC2)c1 555150012 WGYGYKKLZLZMGZ-UHFFFAOYSA-N 448.574 5.254 30 20 IKED C=CCn1c(Sc2ncnc3ccc(Br)cc23)nnc1-c1ccccc1F 558557555 PFRXRNIQHMBYEK-UHFFFAOYSA-N 442.317 5.127 30 20 IKED Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NCc1cccn1Cc1ccccc1C#N 559998495 VHJJOCUVONOATI-FQEVSTJZSA-N 426.564 5.201 30 20 IKED CCOc1ccc(-c2nc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)sc2C)cc1 562750397 OOPDUUZDHHOFRB-UHFFFAOYSA-N 432.427 5.055 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC(C)(C)c1ncccc1C 563574553 POHVDUHSXICFDF-UHFFFAOYSA-N 428.536 5.248 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc(Cl)c1Br 569231301 QJJUQEKAOQTJDW-CYBMUJFWSA-N 432.730 5.420 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(C)cc(O)nc2c1 570521884 OONQYZKCVMXBCX-UHFFFAOYSA-N 425.463 5.415 30 20 IKED C=C(C)COc1cc(CNCc2nc(-c3ccc(Cl)cc3)c(C)s2)ccc1OC 591700203 MEAPBPZDVMYSOT-UHFFFAOYSA-N 428.985 6.025 30 20 IKED Cc1c(C(=O)N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@H]32)sc2ccc(C#N)cc12 594641494 YNRRDGGITSHIAC-BUZMGHMJSA-N 441.600 5.064 30 20 IKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2sc(C)c(C)c2C#N)cc1 603445195 PYPQHYFJRKDQNX-UHFFFAOYSA-N 428.517 5.350 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 603527693 YGDOIOGOSZJPOX-UHFFFAOYSA-N 442.346 5.890 30 20 IKED CCOc1ccccc1OCCCC(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 603600894 KNYHWQWOUBYFSE-UHFFFAOYSA-N 431.492 5.250 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)COCc3nc4ccccc4s3)c2)cc1 603814613 OOYATIDLFVIASJ-UHFFFAOYSA-N 443.528 5.097 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cnn(-c2ccc(Br)cc2)c1 603968610 GJYUXINPUWYVJB-UHFFFAOYSA-N 449.333 5.487 30 20 IKED O=C(NCC1(c2cccc(F)c2)CC1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 606926294 QIKDREZFCQAOHS-CHWSQXEVSA-N 426.376 5.066 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](COc1ccccc1F)c1ccccc1 609434831 UCRCJRHRJZKSEN-AVRDEDQJSA-N 449.551 6.162 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCc2c(Br)cccc2C1 609436780 SZCAKXZGVPPWEX-AWEZNQCLSA-N 430.371 5.434 30 20 IKED N#CCCn1cc(/C=C/c2nc(-c3cccc(OCc4cccnc4)c3)no2)c2ccccc21 609475434 DXOSLWXVLPVBKG-VAWYXSNFSA-N 447.498 5.749 30 20 IKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cccc(COc2ccccc2C#N)c1 609629952 MGYPVGCVEYCUPA-BDYUSTAISA-N 440.543 5.377 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(OCc4cscn4)c3)c2)cc1 609990906 SNNKPLOYWQLBRO-UHFFFAOYSA-N 426.501 5.590 30 20 IKED COc1ccc([C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2ccccc2Cl)cc1 610093157 XIFSCHRYILJZBI-QHCPKHFHSA-N 433.939 6.061 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NC[C@@H]2CCO[C@@H]2c2ccccc2)c1 610184478 IGFBDJPJRIJDNK-YADARESESA-N 432.907 5.512 30 20 IKED COc1ccc2c(c1)OCC[C@@H]2NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 610320935 LOCLCDFBWQHUTM-GGAORHGYSA-N 447.922 5.649 30 20 IKED C[C@]1(C#N)CCCN(C(=O)Nc2ccc(OCc3ccccc3)c(Br)c2)C1 612309723 FJYYFJXTUBEHLJ-OAQYLSRUSA-N 428.330 5.186 30 20 IKED N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccc(F)cc1)c1nc2ccccc2n1C(F)F 613403803 JDSVSXIYBWOMHW-SFHVURJKSA-N 433.389 5.292 30 20 IKED C=CCNC(=O)Nc1ccc(N[C@H](C(=O)Nc2ccccc2OCC)c2ccccc2)cc1 630026116 DFDXEQUPBMCHAI-DEOSSOPVSA-N 444.535 5.185 30 20 IKED O=C(Nc1cc(C(F)F)ccc1Cl)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 676134981 HIKYPQALQCMYHZ-RKDXNWHRSA-N 438.746 6.309 30 20 IKED O=C(NCc1cc(F)c(Cl)cc1F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 683976260 IIHGRUGMQNHXNU-MYJAWHEDSA-N 438.746 5.327 30 20 IKED N#Cc1ccc(NC(=S)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1Cl 726487351 MDVLYAWIXIVDGE-UHFFFAOYSA-N 438.915 5.090 30 20 IKED N#Cc1cccc(COc2ccc(NCC(=O)Nc3cccc(Cl)c3Cl)cc2F)c1 728200610 LLEFDTSFHONEBK-UHFFFAOYSA-N 444.293 5.634 30 20 IKED Cc1cc(C(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)c(C)n1-c1ccc(C#N)cc1 728268241 IYECEGYCJZXHNY-UHFFFAOYSA-N 440.547 5.090 30 20 IKED Fc1cccc(Cl)c1C=Nn1c(S)nnc1COc1c(Cl)cccc1Cl 730583802 LINUPZAYFPPLJL-UHFFFAOYSA-N 431.707 5.127 30 20 IKED CCOc1cc(/C=C2\Cc3ccc(C)cc3C2=O)ccc1OCC(=O)Nc1ccccc1 730948546 HAKAHIYXBJPBDL-KGENOOAVSA-N 427.500 5.234 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1cnc2ccccc2n1 730993490 AGPHOQYNTBTPBX-VQHVLOKHSA-N 428.439 5.306 30 20 IKED N#C[C@@H](C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1nc(-c2ccncc2)cs1 734081373 JSRWAIYNCFGLLD-KRWDZBQOSA-N 449.923 5.108 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1 734644768 VNRMNDLCTXBNOM-NRFANRHFSA-N 443.894 5.367 30 20 IKED Cc1ccc(C[C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2ccccn2)cc1 734683925 KINNCKZADGZARD-IXCJQBJRSA-N 446.554 6.151 30 20 IKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C(C)(C)C)cc3)NC2=O)cc1Cl 736642594 YDGAPELAKXBUFW-SFHVURJKSA-N 429.973 5.194 30 20 IKED N#Cc1ccc(-c2cccc(CNc3ncc(C(=O)N4CCCCC4)cc3Cl)c2)s1 739889721 FOZWHZCMGSUOQZ-UHFFFAOYSA-N 436.968 5.573 30 20 IKED CN(Cc1ccn(-c2ccccc2)n1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 743238543 SEWZZHVXQGGEHY-UHFFFAOYSA-N 441.466 5.339 30 20 IKED C[C@H](N/C=C1\C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21)c1cccc(C#N)c1 743246153 AFAZXXKKSLQWAE-NOEYKIMYSA-N 427.891 5.090 30 20 IKED CCOc1c(Br)cc(/C=C\C(=O)c2ccc(SC)c(OC)c2)cc1OC 747615452 ZSIZORGOSHFGHU-VURMDHGXSA-N 437.355 5.483 30 20 IKED C=CCNC(=S)/C(=C(/O)c1cc(C)c(F)cc1F)[n+]1ccc(Cc2ccccc2)cc1 748990022 CXCKWYYWVCPNCH-UHFFFAOYSA-O 437.535 5.138 30 20 IKED CC(=O)C1=C(c2ccc(C)cc2)N(Cc2cccs2)C(=O)N[C@@H]1c1ccc(C#N)s1 749015227 SALWVEWJHIUHIW-OAQYLSRUSA-N 433.558 5.257 30 20 IKED CCOc1cccc([C@H](CC)OC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 750752844 QPBUGFZDBKOKTN-NRFANRHFSA-N 449.507 5.116 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)C[C@H](O)c1cccs1 752224891 QJUCLTFGDNKSOP-JTSKRJEESA-N 435.549 5.141 30 20 IKED CCOc1ccccc1C(F)(F)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 753106828 FKIYWIUDZHCKPV-UHFFFAOYSA-N 436.458 5.461 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](CCc3ccccc3)C2)cc1 755757425 VDYNRWLJHPPXIB-FTJBHMTQSA-N 425.532 5.208 30 20 IKED C=CCCC(=O)COC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 761412324 PDMZTNFAQYOUSR-QGQWTOSVSA-N 426.397 5.187 30 20 IKED C=CCn1c(SCc2cc3ccc(SC)cc3nc2Cl)nnc1-c1ccccn1 765371993 PNQWTRPFLBHTAV-UHFFFAOYSA-N 439.997 5.742 30 20 IKED N#CCCn1cc(CN2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c(-c2ccccc2)n1 769386683 DMDSGOJRZMNMAQ-VWLOTQADSA-N 434.971 5.063 30 20 IKED C[C@@H](CC(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)Cc1ccc(Cl)cc1 772637136 JZQHEWGCRPJPKN-CXAGYDPISA-N 439.968 5.374 30 20 IKED COCCc1nc(C)c([C@H](C)OC(=O)c2cccc(OCc3ccccc3C#N)c2)s1 773912617 QXHRPHNDLOOBIA-KRWDZBQOSA-N 436.533 5.009 30 20 IKED C=CCCC(=O)Nc1ccc(COC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)cc1 774570956 LHHSKUXLDBOYPR-UHFFFAOYSA-N 444.409 5.622 30 20 IKED Cc1sc(NC(=O)Cc2ccccc2CC#N)nc1-c1ccc(Br)cc1 776746991 WBCWBMXJQIQGJC-UHFFFAOYSA-N 426.339 5.128 30 20 IKED COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccccc1 777172639 UERYTYXJALSZTI-XMMPIXPASA-N 440.499 5.096 30 20 IKED N#Cc1cc(NC(=O)c2ccc(CN3CCCCC3=O)cc2)ccc1Oc1ccccc1 777860885 XJDYHPUVUAXDEH-UHFFFAOYSA-N 425.488 5.115 30 20 IKED FC(F)(F)c1cc(NN=Cc2c(Cl)ccc3cccnc23)nc(-c2ccccn2)n1 781127288 LTYRLCCVFQVTBV-UHFFFAOYSA-N 428.805 5.205 30 20 IKED C[C@@H](NCc1ccc(NC(=O)OC(C)(C)C)nc1)c1ccc(-c2cccc(C#N)c2)cc1 782379812 DECNQVQYSVVAES-GOSISDBHSA-N 428.536 5.818 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)cc1 783807791 OLSATUDYHWLLPT-QHCPKHFHSA-N 447.491 5.078 30 20 IKED CC(C)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1[N+](=O)[O-] 784491771 ZVCKGJSSZIWNGV-FQEVSTJZSA-N 443.459 5.472 30 20 IKED FC(F)Oc1ccccc1[C@H](NCc1ccc(Cl)nc1C(F)(F)F)C(F)(F)F 787279447 MCAJBXAMVQLPQY-ZDUSSCGKSA-N 434.714 5.748 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(C#N)cc2Cl)cs1 788361197 WQWIIYKVFXCBGN-WEVVVXLNSA-N 425.872 5.388 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nn(CN2CCC(CC(F)(F)F)CC2)c1=S 789526311 BVOKHRMZYZFHMU-UHFFFAOYSA-N 440.535 5.109 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1c(F)cccc1Br 794471638 OTLWABPZHNSSNB-UHFFFAOYSA-N 442.313 5.217 30 20 IKED O=C(Nc1ncc(C(F)(F)F)s1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 801753150 XTKSDVYREUGGNK-WDSKDSINSA-N 429.308 5.193 30 20 IKED CC(C)C(=O)c1ccc([C@@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 802040455 GDCVUALLKPIUMT-CXAGYDPISA-N 431.319 5.283 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)c1coc(C2CCCCC2)n1)c1ccc(Cl)cc1Cl 802218796 KWDCTOQNGKEDPX-BLLLJJGKSA-N 434.323 5.229 30 20 IKED N#CCOc1ccccc1-c1nc(-c2ccccc2-c2ccc(Cn3cccn3)cc2)no1 809279931 YDRZBZIFKNETKU-UHFFFAOYSA-N 433.471 5.218 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@@H](c4ccccc4)OC3=O)cc2Cl)cc1 809619698 FORJIISKTPTAAR-UGKGYDQZSA-N 432.863 5.247 30 20 IKED CC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(C#N)cc3C(F)(F)F)SC2=S)cc1 811624629 LNSXXNJSZHOXLD-MFOYZWKCSA-N 432.448 5.185 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2csc(C(C)C)n2)cs1 812243695 RWOQEPPLVROVKI-RMKNXTFCSA-N 431.970 5.957 30 20 IKED N#Cc1cc(C(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)cnc1C(F)(F)F 815065275 WOERYLCDHVVQIY-GFCCVEGCSA-N 446.281 5.510 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 915085277 KCJXLWOJOIIVHJ-SANMLTNESA-N 431.495 5.847 30 20 IKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915101631 JFZJBSGVMKEECN-IRLDBZIGSA-N 447.947 5.604 30 20 IKED N#C[C@@H](C(=O)c1ccc(N)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103580 YMAAEWJKTSTLHA-LBPRGKRZSA-N 433.276 5.097 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2c(C)[nH]c3ccccc23)cs1)c1ccc(F)cc1F 915115090 WHESUBOPCNCOSV-NTMALXAHSA-N 437.471 5.792 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN(C)Cc2ccccc2F)c1=S 915813375 GFBVDCMXNGUCIZ-UHFFFAOYSA-N 432.952 5.061 30 20 IKED Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc12 916883114 OCZALFVMIJQCHO-LJQANCHMSA-N 448.935 5.069 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)s2)cc1 916915701 HQKPBYCCVHQYPE-FQEVSTJZSA-N 441.512 5.242 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1sc2cccc(Cl)c2c1Cl 916924404 CPKPLSYPQYLMOZ-LLVKDONJSA-N 433.316 5.568 30 20 IKED N#C[C@@H](C(=O)C1CCN(c2nc3ccccc3o2)CC1)c1nc2cc(Cl)ccc2s1 917045011 VWVNDCVJPMGEIU-HNNXBMFYSA-N 436.924 5.184 30 20 IKED N#C[C@@H](C(=O)CCc1ccc2ccccc2c1)C(=O)Nc1ccccc1Oc1ccccc1 917426790 QGHXKLLFGOXPEZ-DEOSSOPVSA-N 434.495 5.912 30 20 IKED CCc1c(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3)n2)oc2ccccc12 917560336 VXGYIHBOKUCSHT-RAXLEYEMSA-N 434.492 6.172 30 20 IKED O=C(c1ccccc1SC(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918669396 DAPSXSXHFNPFQZ-DTORHVGOSA-N 425.316 5.501 30 20 IKED COc1cccc(/C=C\c2cc(C(=O)O[C@H](C)C#N)c3cc(Br)ccc3n2)c1 920703806 SLVNJCLIJFJHMG-IQCBXXCUSA-N 437.293 5.245 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccccc5)on4)cc3)CCC2)C1 1785784372 QOWPZKBTPFOGBG-UHFFFAOYSA-N 427.504 5.056 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)C3CCN(C(C)C)CC3)CCC2)cc1 1789624293 VODSTWDWUNMDBF-UHFFFAOYSA-N 439.644 5.233 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@H](C)c3ccccc3)CCC2)cc1 1790569564 DHXRXJCOMIWGMS-VQTJNVASSA-N 435.568 5.115 30 20 IKED Cc1cnc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)s1 1792122136 CDWVKIKIRRYNTA-MRXNPFEDSA-N 444.560 5.140 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)[C@H](C)c3ccc(Cl)cc3)C2)CC1 1805194172 LSHJGPPEVWOKDS-OFNKIYASSA-N 443.031 5.443 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)n[nH]1 1820505425 ZJCJQHGSDQVHBZ-IBGZPJMESA-N 447.366 5.216 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/Sc2ccc(C)cc2)[nH]n1 1821922531 MDZCFTTUSPVDMF-LBCPOGTJSA-N 438.597 5.228 30 20 IKED Cc1ccc(-c2ccccc2C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](C)S)n[nH]2)cc1 1822384355 RRROKUYSCLXUKU-HTAPYJJXSA-N 448.592 5.009 30 20 IKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccoc2C)CC1)c1ccccc1 1825912124 UDAPIXITZOTFPD-CLJLJLNGSA-N 446.591 5.019 30 20 IKED CC[C@H](C)[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C#N)CCC2)CC1)c1ccccc1 1826421463 ABXPJYISWRWYPX-GPUOULLFSA-N 449.639 5.130 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)CC2)C1 1828350672 LKRQSMQYRIXNDI-GTCGAKFVSA-N 432.564 5.032 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC(F)(F)F)CC1 1828820718 DFIIIEOCIAPVCS-UXHICEINSA-N 428.539 5.107 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc(C(C)C)cs2)CC1 1828821422 NIDWAMGOOHTRFV-IRLDBZIGSA-N 443.657 5.268 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 1831290521 HZGXGDNBGWYAND-WMZHIEFXSA-N 443.031 5.204 30 20 IKED Cc1cc(C)cc(N/C(S)=C(\C(=O)c2cc(C)ccc2C)[n+]2ccc3c(c2)CCCC3)c1 10172607 PEWOLNSLPNCJHB-UHFFFAOYSA-O 443.636 6.137 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(F)cc2)cc1 10828951 PXPSEBPRKGGOLT-UHFFFAOYSA-O 429.487 5.395 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OCC(=O)Nc1ccccc1 15349051 LQDQRVPZVNETRM-XYOKQWHBSA-N 437.442 5.277 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)c1cc(C)ccc1C 21742143 GAWICFLELRKBCZ-QGZVFWFLSA-N 425.529 5.163 30 20 IKED C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)COc1ccc(C#N)cc1Cl 27261790 AAPDIQKUCOFFSZ-KRWDZBQOSA-N 447.922 5.062 30 20 IKED C=CCn1c(SCC(=O)N[C@H]2CCC[C@H](C)C2)nnc1-c1ccc(Cl)cc1Cl 33182503 JCUZFHBEQXYITI-ZFWWWQNUSA-N 439.412 5.225 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(C)o2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 59360110 BVFGNTZGYBSZSE-XJKSGUPXSA-N 443.642 5.888 30 20 IKED CC(C)c1ccc(-c2nc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cs2)cc1 60722719 UCAZUADKBZRDHI-UHFFFAOYSA-N 432.593 5.009 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12 62905841 VRHINQWMPIVWNB-UHFFFAOYSA-N 428.536 5.389 30 20 IKED C[C@H]1C[C@@H](C)CN(Cc2ccc(CNCc3cn(CCC#N)nc3-c3ccccc3)cc2)C1 237557854 LQQFTGWFEHXFDR-ZRZAMGCNSA-N 441.623 5.231 30 20 IKED C=CCNC(=O)Nc1ccc(NCc2cccc(NC(=O)c3ccccc3Cl)c2)cc1 237861124 MJPKYXMUUUEDOM-UHFFFAOYSA-N 434.927 5.512 30 20 IKED COc1cc(C=Nn2c(-c3ccc(F)cc3)n[nH]c2=S)ccc1OCc1ccccc1 254403340 LAWSPIYCIORELD-UHFFFAOYSA-N 434.496 5.217 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc2cnn(C(C)C)c2nc1C 302963026 FDMOAONUBORLAF-UHFFFAOYSA-N 425.492 5.545 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1ccccc1)Cc1ccccc1 303424286 ZGSFMIOLOXMMPO-OAQYLSRUSA-N 429.589 5.722 30 20 IKED CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl 428510597 NKKQEQVCQLPSHG-UHFFFAOYSA-N 433.895 5.260 30 20 IKED N#CCSc1cccc(C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)c1 429942553 DEWGEGCUPIANIQ-UHFFFAOYSA-N 444.379 5.364 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC(c2ccnn2CC)CC1)c1ccc(C(F)(F)F)cc1 434289574 UZCQPEAUOPUCOQ-HXUWFJFHSA-N 434.506 5.518 30 20 IKED N#Cc1ccc(S(=O)(=O)N(Cc2cccs2)Cc2cccs2)cc1C(F)(F)F 435155596 NSRLILMXSHXQDB-UHFFFAOYSA-N 442.509 5.091 30 20 IKED COc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1OC 437499490 PNFJOPICLSRWOS-UHFFFAOYSA-N 448.450 5.108 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCc2c(F)ccc(F)c2C1 438584906 JMQPPVLYWFQBSP-UHFFFAOYSA-N 433.458 5.314 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O 439501014 RRDLZHRKHNZDER-NCELLWTRSA-N 447.579 5.239 30 20 IKED C=CCN(C(=O)CCCC1CCCC1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 443796175 ACEPSCKYXPCCDV-UHFFFAOYSA-N 432.611 5.093 30 20 IKED COc1ccccc1-c1nc(COc2c(Br)cc(C#N)cc2OC)cs1 447792724 YTGUWORZLRFUSK-UHFFFAOYSA-N 431.311 5.040 30 20 IKED C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCCC[C@@H](COC)C1 460396256 XMSNANGRKXEZTJ-LJQANCHMSA-N 437.613 5.206 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1nc(O)c2c(-c3ccccc3)csc2n1 464818216 KTAJLQUQKRCVGN-TZIWHRDSSA-N 426.545 5.336 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccnc(Oc2cccc(C)c2C)c1 466513055 GRMAILOAWVDAEV-UHFFFAOYSA-N 428.536 5.484 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@@H](c3cccc(F)c3)c3cccc(Cl)c3)ccc21 469353120 MICFNLOOYFLFLT-AREMUKBSSA-N 447.941 6.264 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)CCc3ccc(-c4ccccc4)o3)ccc21 469948330 SLPZDUBXUCBLMV-UHFFFAOYSA-N 427.504 5.101 30 20 IKED COc1ccc(F)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1OC 472460224 BMELNORWGBYTQX-UHFFFAOYSA-N 426.831 5.413 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C 476158001 RFNLAERTGGCNAV-UHFFFAOYSA-N 428.598 5.176 30 20 IKED Cc1cc(C)c(NC(=O)CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)c(C)c1 479498212 FOBSEZMAYOXRIO-UHFFFAOYSA-N 429.545 5.003 30 20 IKED Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 479544925 SOUFPXLCJKQVQA-UHFFFAOYSA-N 427.529 5.619 30 20 IKED CCc1nnc(-c2cccc(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)c2)o1 480044867 RFRANEGLHPAESA-UHFFFAOYSA-N 426.501 5.574 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCCC[C@H]3c3nc4ccccc4o3)cc2)cc1 480795269 DAZFVYAOSLXDBT-QHCPKHFHSA-N 438.487 6.251 30 20 IKED Cc1ccc(C)c(Sc2ccc(NC(=O)C(=O)N[C@H](C)c3ccc(C#N)cc3)cc2)c1 481139633 RSJYXHYCJUSZMF-GOSISDBHSA-N 429.545 5.142 30 20 IKED N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 481661146 RSHQMZVINWCUCA-VWLOTQADSA-N 449.551 5.055 30 20 IKED C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 483054718 RMGYVZCBIOTQPG-SBUREZEXSA-N 433.939 5.796 30 20 IKED N#C[C@@H](C(=O)c1cc(Oc2cccc(Br)c2)ccn1)c1cnc2ccccc2n1 483205090 UYEHOLMTAPJKCB-QGZVFWFLSA-N 445.276 5.070 30 20 IKED CCc1c(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cnn1C(CC)CC 485047792 FTJABEMOYXEUDK-UHFFFAOYSA-N 445.523 5.048 30 20 IKED COc1cc(CN[C@H](C)c2nc(C(F)(F)F)cs2)ccc1OCc1cccc(C#N)c1 490089065 GAUHFEUFUBUHEF-CQSZACIVSA-N 447.482 5.472 30 20 IKED CCCc1c(NC(=O)c2cnn(C(C)C)c2-c2ccccc2)cnn1-c1cccc(C#N)c1 490390616 UICUURCLPKHSJQ-UHFFFAOYSA-N 438.535 5.393 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCCCC(=O)c2ccccc2)cc1 498147829 VRAKGYMDTRSENY-UHFFFAOYSA-N 428.507 5.669 30 20 IKED O=C(c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)N1CCCC[C@H]1C(F)F 500592867 YGZCHRQEXWUJEJ-ZDUSSCGKSA-N 441.322 5.170 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)Cc3csc(-c4ccccn4)n3)c2)cc1 501465785 HGWOVJURSYTKES-UHFFFAOYSA-N 440.528 5.031 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)Cc2cccc(C(F)(F)F)c2)cc1C 501865344 AOZCOMGLRRJCOQ-UHFFFAOYSA-N 440.469 5.372 30 20 IKED CC[C@@H](C)n1c(SCC(=O)Nc2ccc(C(C)(C)C#N)cc2)nnc1-c1ccccc1 505024455 MTUQERKWZRCYTK-QGZVFWFLSA-N 433.581 5.448 30 20 IKED CCCOc1ccc(Oc2ncccc2CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 505163020 XETBWKSNPACTHX-SFHVURJKSA-N 430.508 5.095 30 20 IKED N#C[C@H](NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1c(Cl)cccc1Cl 505528042 YJFUIFKPFKKLRN-INIZCTEOSA-N 449.725 5.401 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 505971976 SYYHZCQKKLDRHG-GOSISDBHSA-N 430.508 5.202 30 20 IKED COCCSc1ccc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1 508560993 NYLKRQOFNUUXFQ-LJQANCHMSA-N 425.598 5.226 30 20 IKED CN(Cc1csc2ccccc12)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511412088 BQJSLOQROUTAMN-UHFFFAOYSA-N 441.556 6.210 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4cccc(Cl)c4)n3)n2)cc1 512503169 HCAKRNBRNJFWBK-QGZVFWFLSA-N 446.944 5.949 30 20 IKED CCOc1cc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1OC 512731232 RQNRKDFFGLGMTO-OAQYLSRUSA-N 449.938 5.724 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@@H](C#N)c1ccc(F)cc1 513007215 LDBAIZQAYULLGX-ACJLOTCBSA-N 429.904 5.137 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)NCc3csc(-c4ccc(C(F)(F)F)cc4)n3)CC2)c1 513667026 PJEIVNARXUALAX-UHFFFAOYSA-N 445.441 5.188 30 20 IKED C=CCN(C(=O)c1sc(Cc2ccccc2)nc1C)c1nc(-c2ccccc2)cs1 516461906 JXVOZTBPPSTRPS-UHFFFAOYSA-N 431.586 5.999 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1csc(C2CCCCC2)n1 517460877 CNSRNZPZCOZBJL-MRXNPFEDSA-N 445.679 6.457 30 20 IKED C=CCOc1ccccc1CNCc1c(C)nn(-c2ccc(Br)cc2)c1C 517711408 JEVABQDXBDQTKZ-UHFFFAOYSA-N 426.358 5.106 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cn(C)nc1-c1ccccc1Cl 518700577 RVAYCRXFCCPYHD-UHFFFAOYSA-N 442.906 5.965 30 20 IKED C[C@@H](NC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)c1ccc(C#N)cc1 518916378 CZACISNZBNBZHN-QGZVFWFLSA-N 444.922 5.018 30 20 IKED C[C@@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 519513791 XTGIBPANVUPCFL-CQSZACIVSA-N 436.855 5.351 30 20 IKED CCOc1cccc([C@@H](C)NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 520136000 HRWSBVIWJOYEDL-QGZVFWFLSA-N 428.492 5.092 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ccc(F)cc2)n1)c1nc(-c2c(F)cccc2F)cs1 520427709 WALQTHCXOJIOHL-CYBMUJFWSA-N 441.459 5.841 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccnc(N4CCCCC4)c3)cc2)c1 521810882 IPABTAXGKTZHFP-UHFFFAOYSA-N 427.508 5.058 30 20 IKED O=C(Nc1cc(Cl)ccc1F)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 523103748 FEALCJFUXSLWMK-UHFFFAOYSA-N 445.718 5.614 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F 524431607 QFUVSGVOEJJSFM-SNVBAGLBSA-N 436.327 5.021 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CCCOc1ccc(F)cc1 524438227 WDVLUWKKUJQRMC-UHFFFAOYSA-N 447.510 5.518 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)[C@H](C)Oc2ccccc2C#N)nc1-c1ccccc1 525329842 FDIZICLSHVEVQY-GHTZIAJQSA-N 429.520 5.468 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3ccc(OCc4ccncc4)cc3)o2)cc1 532630650 VMZNOMXXQZEZOR-UHFFFAOYSA-N 431.517 5.568 30 20 IKED C=CCn1c(SCCCC2(C#N)CCOCC2)nc2sc3c(c2c1=O)CCCCC3 537308631 VPFFIBIRLDPRFB-UHFFFAOYSA-N 443.638 5.106 30 20 IKED Cc1cccc(NC(=O)CSCC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 541071014 ZYRSONLLVHFTFX-LJQANCHMSA-N 443.572 5.083 30 20 IKED N#CCC1CCN(C(=O)Cn2c(-c3cccc(Cl)c3Cl)nc3ccccc32)CC1 541974593 APBWLBIRGNYGCC-UHFFFAOYSA-N 427.335 5.162 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@H]3c3cccc(Cl)c3)n2)c(Cl)c1 542959984 ZBEOWKYTHXDNPR-SFHVURJKSA-N 426.307 5.420 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)n2)c(F)c1 543887323 NMXRMLMDCMBVNR-SFHVURJKSA-N 444.297 5.559 30 20 IKED Cc1cc(Br)c2oc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2c1 543900674 QVDZBQCZODHUJV-UHFFFAOYSA-N 439.309 5.059 30 20 IKED CC(=O)N1CCc2c(sc3nc(-c4sccc4C)c(C#N)c(-c4ccc(C)cc4)c23)C1 544403531 BCOYGQKEKGLSKM-UHFFFAOYSA-N 443.597 6.085 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(F)c3Br)cc2F)c1 550249238 HGFLFVACSDMVHG-UHFFFAOYSA-N 443.247 5.430 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1cscc1Br 550454320 LCAJXUGSNRFBPL-UHFFFAOYSA-N 449.317 5.716 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc(Cl)c(F)cc3Cl)c2)c1 555416732 XFYKZPZBTAMUFX-UHFFFAOYSA-N 428.250 5.509 30 20 IKED C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)cc1 556571080 RNGBNADGNNVUQO-SFHVURJKSA-N 441.556 5.156 30 20 IKED N#CCCOCCSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 558807989 OUDAWGNVYZAZFD-UHFFFAOYSA-N 433.364 5.323 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@@H](C)C[C@H]1c1ccccc1F 565568109 ZUWCXBWHPOWLJI-BTDFZRAWSA-N 432.543 5.436 30 20 IKED CC(C)CN(C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@@H](C)c1ccccc1Cl 588331788 ZDNYHFFJHHMHAU-SFHVURJKSA-N 439.991 5.004 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC4(CCC4)CC3)s2)c(C(F)(F)F)c1 588347864 OXGPOLYQCUJART-UHFFFAOYSA-N 434.487 5.422 30 20 IKED Cc1c(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)sc2ccc(C#N)cc12 590236221 RHUUAAVGOYGRNS-UHFFFAOYSA-N 446.919 5.634 30 20 IKED CC(C)(CNC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1 590805783 VYBHQUBPJMUDNH-NHAGDIPZSA-N 428.392 5.312 30 20 IKED Cc1cc(C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c2cnn(C(C)C)c2n1 603532419 FVTVGURTRBQMII-UHFFFAOYSA-N 441.510 5.487 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(-c4ccccc4Cl)n3)cn2)cc1 603765467 VQGGDCONDLXOTH-UHFFFAOYSA-N 446.919 5.704 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1Cl 603766034 KDLBQOXOPBNLQS-HSZRJFAPSA-N 430.935 5.682 30 20 IKED Cc1cc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)ccc1Cl 603945715 LDCILWAYZFPCDE-ZDUSSCGKSA-N 444.969 5.070 30 20 IKED COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609046667 IKNIPMLVAADGFM-ISKFKSNPSA-N 445.950 6.373 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CCCOc2ccccc21 609080097 PSITVKJTCLXOAP-DEOSSOPVSA-N 427.504 5.481 30 20 IKED CC(C)NC(=O)Nc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 609164469 PGKPRWXPKZBDOL-JOCHJYFZSA-N 446.938 5.778 30 20 IKED Cc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1N1CCNC1=O 609164584 RHNNMYRXFNPZJC-OAQYLSRUSA-N 444.922 5.086 30 20 IKED CC(C)c1cc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)c2cnn(C(C)C)c2n1 609287043 ATFZQYAYLVIGFL-GOSISDBHSA-N 430.339 5.437 30 20 IKED COc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609433951 LSMNYUYACHTQGF-JOCHJYFZSA-N 427.504 5.598 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cccc2ccccc12 609436871 WZSUCIMTYJGZOI-SFHVURJKSA-N 435.483 5.320 30 20 IKED COc1cc(CSCC(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1SC 609466454 HXPIQPVLVOJLNG-OAHLLOKOSA-N 432.636 5.683 30 20 IKED Cc1cc(Sc2ncccn2)ccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 609503514 WSERVYRDBQGJMA-UHFFFAOYSA-N 439.500 5.248 30 20 IKED CCc1ccc(-c2nc(CC(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)cs2)cc1 609523238 GCVBNVGIXIGATH-LJQANCHMSA-N 429.467 5.315 30 20 IKED C[C@@H]1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C[C@@H](c2ccc(F)cc2)O1 610206189 YKSQCDKJWOTVHP-KOSHJBKYSA-N 446.547 5.592 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)Cc3csc4nc(-c5ccccc5)cn34)c2C#N)C1 613257571 AMYGHSIXBRIKIE-AWEZNQCLSA-N 432.574 5.302 30 20 IKED N#C[C@H](C(=O)c1ccc(COc2cccc(Br)c2)o1)c1nc2ccccc2o1 614439826 LYRRIGGDAYZGPM-MRXNPFEDSA-N 437.249 5.252 30 20 IKED N#Cc1ccc(C(=O)N2CCC(F)(c3ccccc3OC(F)(F)F)CC2)cc1Cl 619608247 BAALFWSWEHRCMN-UHFFFAOYSA-N 426.797 5.211 30 20 IKED C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC#N)CC2)n1CCc1ccccc1 619822885 YMZLIXXJLVEGAX-LJQANCHMSA-N 449.986 5.444 30 20 IKED C[C@H]1C[C@@H](C)CN(c2nnc(S[C@@H](C#N)c3ccc(Cl)cc3)n2Cc2ccco2)C1 619863569 ANBFKOIPTYLWIA-YRNRMSPPSA-N 441.988 5.412 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1(c2ccc(F)cc2)CCCCC1 619901946 VIFIGTYQUVLHMW-GJZGRUSLSA-N 439.415 6.053 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccccc2F)c1)c1nc2cc(C(F)(F)F)ccc2s1 622255318 CFVOYLFWFFCXTO-CYBMUJFWSA-N 430.386 5.130 30 20 IKED C[C@@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(OC(F)F)cc1 642897770 CBVJFUZJUNYSEX-XEZLXBQYSA-N 448.354 5.558 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N(C)c2ccc(Cl)c(C(F)(F)F)c2)c1C(F)F 685248410 PWHAFCHYIULWHF-UHFFFAOYSA-N 449.729 5.808 30 20 IKED C=CCOc1ccc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1Cl 727253520 GUABKXVQPWBEDN-UHFFFAOYSA-N 435.936 5.534 30 20 IKED O=C(/C=C\c1ccccc1OCc1cccnc1)c1ccccc1I 727780909 WLHVNTGLEHSILO-QXMHVHEDSA-N 441.268 5.161 30 20 IKED C=CCN(C(=O)c1sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c2c1C)C(C)C 728868421 KCOFLMZCIRZRCX-UHFFFAOYSA-N 441.622 5.239 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)cc1OC 728888155 MUMMKFFMTNZOKG-WZUFQYTHSA-N 435.501 5.193 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2nc(C)c(-c3ccccc3)o2)cc1 730397123 XTRCWUKHSAHLJV-JOCHJYFZSA-N 429.520 5.273 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 730416694 GVODSNZRRVIQMW-SFHVURJKSA-N 438.915 5.310 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1 731063157 NIHNXSCMRDEMTD-SFHVURJKSA-N 446.528 5.526 30 20 IKED CC1CCC(OC2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)CC1 731109867 SQVDIMDUZVZAFO-WISNAQHKSA-N 431.580 5.934 30 20 IKED COc1ccccc1CC(C)(C)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 733051572 IVJXGPQOUAMGLB-HNNXBMFYSA-N 426.488 5.542 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nc2ccc(Cl)cc2[nH]1 733154122 FQECQULECYFFJB-OAHLLOKOSA-N 446.963 5.871 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)ccc1OC 733232201 PUXNVAIFPMZTSB-BEFAXECRSA-N 434.458 5.205 30 20 IKED C#CCN(C(=O)Nc1c(C)cccc1CC)[C@@H]1CCOc2ccc(Br)cc21 733615280 MIGJWDXDPFIZBZ-LJQANCHMSA-N 427.342 5.311 30 20 IKED C=CC[C@@H](NC(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccncc1 734666731 IZXFOZSOSNNBFZ-AREMUKBSSA-N 437.547 5.110 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1 735397057 SWYZSLLMRZHHKW-QHCPKHFHSA-N 446.497 6.026 30 20 IKED O=C(/C=C\c1cc(Br)ccc1F)c1ccc(S(=O)(=O)C2CCCC2)cc1 741447477 LVXMNONCKROFPU-GHXNOFRVSA-N 437.330 5.201 30 20 IKED CS(=O)(=O)c1ccc(C(=O)/C=C\c2ccc(-c3ccc(C(F)(F)F)cc3)o2)cc1F 741847056 LJAGTEJJCIVQSV-CLFYSBASSA-N 438.398 5.404 30 20 IKED N#Cc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)ccc1N1CCC(O)CC1 743735995 SOWRTNAFVMUVFJ-UHFFFAOYSA-N 437.952 5.154 30 20 IKED CCCN(CC)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 744027326 QLZOZDBHSKZYHA-LJQANCHMSA-N 431.508 5.199 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 744030809 MAKYIRLUYPRANU-ILXRZTDVSA-N 442.129 5.751 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(Br)cn2C(C)C)cc1 744033365 PUXKQKFXQDVRMO-RDTXWAMCSA-N 430.346 5.306 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)ccc1OC 747582619 UKFIIBAILSIVGP-CSODHUTKSA-N 443.975 5.363 30 20 IKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cnc(-c2ccccc2Cl)s1 748003522 AKHWRCNRWJFZSA-LBPRGKRZSA-N 434.279 5.217 30 20 IKED CSc1ccc2c(c1)CC/C(=C/c1csc(N(C(C)=O)c3ccc(C)cc3)n1)C2=O 748148557 TWQZHFJBZHRABZ-PDGQHHTCSA-N 434.586 6.071 30 20 IKED O=C(/C=C\c1csc(-c2ccc(F)cc2)n1)c1ccc(S(=O)(=O)C2CCCC2)cc1 749006383 ULJSOEJSKMTBIB-KAMYIIQDSA-N 441.549 5.562 30 20 IKED CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(C#N)s2)NC(=O)N1Cc1ccccc1 749013774 FORACBMNZYHCRA-HSZRJFAPSA-N 442.544 5.107 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2cccs2)C(=O)N[C@H]1c1ccc(C#N)s1 749015276 SJIAGRNMHYFFFH-FQEVSTJZSA-N 437.521 5.087 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cncc(-c2ccc(Cl)cc2)c1 757876455 VUMOKHAFLJKIGX-QFIPXVFZSA-N 431.923 5.488 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)Cc1cccc(OCC#N)c1 760443509 RJRZHZFSUYMOOI-UHFFFAOYSA-N 449.429 5.136 30 20 IKED Fc1ccc(C2OCCO2)c(Cl)c1C=NNc1nc(Cl)c(Cl)cc1Cl 761760620 UIIPAGKYUCWNJU-UHFFFAOYSA-N 425.074 5.326 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)CCO2)c1 762304159 VLDBVRSZCNCATA-XMMPIXPASA-N 443.890 5.089 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C\c3cccc(-c4cccnc4)c3)SC2=S)cc1Cl 768479550 HBABSJFLXWLBMT-KEBDBYFISA-N 433.945 5.679 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCCC[C@H]2c2ccc(F)cc2F)ccc1OC 770395079 NOGVNZLMUCGSPJ-RXVVDRJESA-N 443.494 5.091 30 20 IKED Cc1noc(COc2ccc(NCc3cccc(OCc4cccc(C#N)c4)c3)cc2)n1 770570264 CEMLYUOIDPNCEK-UHFFFAOYSA-N 426.476 5.020 30 20 IKED Cc1cc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)ccc1NC(=O)OC(C)(C)C 772696057 YMTVSYWMQCIJNB-SFHVURJKSA-N 444.329 5.099 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(F)cc3Br)n2)cc1 777294762 BQXRNKDDKNIEDF-INIZCTEOSA-N 429.314 5.439 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1sc(-c2ccc(F)c(F)c2)nc1C 777972791 YKVSBBAZISKHOA-UHFFFAOYSA-N 434.471 5.146 30 20 IKED CC(C)Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccccc3O[C@@H](C)C#N)CC2)cc1 780670298 OEOBUEFTTHROEM-IBGZPJMESA-N 433.552 5.303 30 20 IKED CC[C@H](C#N)OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)c(OC)c1)CC2 781152375 FNRBLOXXCHMRAT-VJSYINPZSA-N 428.488 5.198 30 20 IKED N#CCCn1cc(C(=O)COC(=O)CCSc2ccccc2Cl)c2ccccc21 786645198 LQEMPKGURATBMO-UHFFFAOYSA-N 426.925 5.117 30 20 IKED CCCn1c(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc2ccccc21 787874344 XULROQVNUAJPHJ-KRWDZBQOSA-N 435.549 5.099 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 788348173 HHHVYXXVNIXTTE-IMJJTQAJSA-N 446.450 5.312 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1nc(Br)sc1C 791348485 HLJCXCBLFQTGSY-UHFFFAOYSA-N 442.338 5.225 30 20 IKED Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)O[C@H](C)C(=O)Nc1ccccc1C#N 797501799 HINDYSORFDWXFF-GFCCVEGCSA-N 444.274 5.013 30 20 IKED COc1cc(COC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)ccc1OCc1cccc(C#N)c1 803737939 QUEQLTCVUUJKKY-RTBURBONSA-N 433.426 5.168 30 20 IKED COc1cc(C=NNc2ncc(C(F)(F)F)cc2Cl)ccc1OCc1ccncc1 912780698 CRSZYKCRMNQWMJ-UHFFFAOYSA-N 436.821 5.182 30 20 IKED Cc1ccc(N2C(=O)CC[C@H](C(=O)N(C)Cc3cccc(C#N)c3)[C@H]2c2cccs2)cc1 914490787 JMSHBOFAQGCGQW-DHLKQENFSA-N 443.572 5.071 30 20 IKED CCN(C(=O)COc1ccc(C2SCCCS2)cc1)[C@@H](C)c1ccc(C#N)cc1 914509394 ILWLCVXTAVIEPV-KRWDZBQOSA-N 426.607 5.415 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(CSc3nc[nH]n3)cc2)cc1 915085885 CLMNJRPASNVZDZ-QFIPXVFZSA-N 425.517 5.005 30 20 IKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccco2)c1 916212116 TWKHZFKUJPDLOS-OAQYLSRUSA-N 433.533 5.057 30 20 IKED C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)[C@H](C#N)c1ccc2ccccc2n1 916848084 ANYSAALINJBWJT-IUODEOHRSA-N 429.701 5.294 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(C2SCCCS2)cc1 916904116 WSIKNNLLMFHBHU-HXUWFJFHSA-N 438.618 5.641 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1Cl 916928565 NVOHKMPAWBGBDD-SFHVURJKSA-N 439.298 5.457 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc2c1O[C@@H](C)C2 917043725 NYABFXFQKORGAJ-IINYFYTJSA-N 432.423 5.137 30 20 IKED CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 918296011 HKSWZGPLBMLLHT-VWLOTQADSA-N 439.559 5.237 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)sc2ccc(F)cc12 920106542 RPMJMQPVZITHRD-CQSZACIVSA-N 437.521 5.428 30 20 IKED Cc1ccc(OCc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)o2)c(C)c1 920109931 KXYYOYUBZNHGHO-QGZVFWFLSA-N 440.858 5.229 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(SC(F)(F)F)cc3)n2)cc1 920139566 UZXZWPMMGJFBEH-MRXNPFEDSA-N 434.464 5.921 30 20 IKED COc1ccc(C2(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CCOCC2)cc1 920222328 TZJVWCGCEULVCL-RUZDIDTESA-N 426.516 5.038 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)Cc3c[nH]c4ccc(C)cc34)CCC2)cc1 1786678695 KFHZLIOMWPESLE-UHFFFAOYSA-N 447.604 5.072 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CNc3ccccc3C)cc2)CCC1 1788111146 QGNCMAPNLPLBBL-HSZRJFAPSA-N 431.580 5.309 30 20 IKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)/C=C/C4CCCC4)CCC3)cc2)c1 1790075473 AABZGEDZJLQJDI-KPKJPENVSA-N 443.547 5.061 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3nc(C(C)C)cs3)CCC2)cc1 1791298918 FDSORBPUJLQLIQ-UHFFFAOYSA-N 433.524 5.226 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc3c1oc1ccccc13)C2 1798593517 RCTBRVQBIQQKCK-ACDBMABISA-N 444.575 5.830 30 20 IKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Oc2ccccc2)cc1 1800344208 CCUITZPMMRRUPJ-BKFWDETESA-N 444.575 5.499 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C)cccc2C)[C@H]1c1cccnc1 1802501500 YPQPDRHNTHDYAA-UPVQGACJSA-N 433.596 5.010 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3nc(C)ccc3o2)n[nH]1 1817687845 PDBQGGOUSZDMOR-IBGZPJMESA-N 449.555 5.158 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc3ccc(C)cc3s2)CC1 1826202514 JPAAICVRPOPFPT-GHTZIAJQSA-N 439.625 5.050 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3sccn3c2)CC1 1827401843 DPYNPBFSUAUIDH-JOCHJYFZSA-N 439.625 5.003 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCc3cccc(Cl)c32)CC1 1831377178 VTRSXLSFHDBMBQ-HARLFGEKSA-N 443.031 5.202 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832629357 OBSMUQZTQVCUER-LVXARBLLSA-N 447.623 5.315 30 20 IKED COc1ccc(C(=O)/C(=C(/S)Nc2c(C)cc(C)cc2Cl)[n+]2cccc(C)c2)cc1 15248394 FHRGNLDXUVGFGN-UHFFFAOYSA-O 439.988 5.612 30 20 IKED C=CCn1c(SCc2nnc(-c3c(-c4ccccc4)noc3C)o2)nc2ccccc21 21410305 JIYNQTLVMJVECE-UHFFFAOYSA-N 429.505 5.528 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 22715375 GPOACZGFUUHIAV-GJZGRUSLSA-N 444.963 5.282 30 20 IKED C=CCn1c(S[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)nnc1-c1ccc(Cl)cc1 36627084 FGCGDJPAOLKUGB-IAGOWNOFSA-N 441.000 5.185 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccc(Cl)c(Cl)c1 107806146 LWGZCIKWIQKHEU-UHFFFAOYSA-N 428.275 5.378 30 20 IKED C=CCOc1ccc(CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1OC 237300325 LGKRQLNTDZCTAV-UHFFFAOYSA-N 434.483 5.692 30 20 IKED O=C1CCCN1C[C@H](NCc1cc(C(F)(F)F)ccc1F)c1cccc(C(F)(F)F)c1 237738897 NAMDGDURPSDYSN-SFHVURJKSA-N 448.382 5.317 30 20 IKED N#CCCCCNCc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 237990625 AOYAQPNDYMOQLK-UHFFFAOYSA-N 443.510 5.047 30 20 IKED CCc1ccc([C@H](Nc2c(F)cc(C#N)cc2F)c2cccc(S(C)(=O)=O)c2)cc1 301484789 YSRMAPLJCBVEGD-QFIPXVFZSA-N 426.488 5.004 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCCN(Cc3ccccc3)CC2)cc1 302900046 PXLFUFLDOYJINE-UHFFFAOYSA-N 441.600 5.199 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 409921667 OILUJGSVDPAJPC-UHFFFAOYSA-N 431.483 5.557 30 20 IKED Cc1ccc(-c2cnc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)s2)c(C)c1 429075579 BADKEZNHNZMERO-UHFFFAOYSA-N 427.533 5.456 30 20 IKED N#C[C@H](C(=O)c1ccc(Br)cc1[N+](=O)[O-])c1nc2cc(Cl)ccc2s1 432221767 QXFFYDVPCYRFAO-LLVKDONJSA-N 436.674 5.110 30 20 IKED CC1(C)CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)[C@H]1c1cccnc1 432676909 CETNIBGDTPBZSV-GMAHTHKFSA-N 430.939 6.005 30 20 IKED CCn1c(SCCC(C#N)(c2ccccc2)c2ccccc2)nnc1-c1cccnc1 434649978 GOJVFFRQEWZEDW-UHFFFAOYSA-N 425.561 5.352 30 20 IKED C[C@@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)Nc1ccc(F)cc1Cl 439660546 JGZXDKXKUUWPRE-CYBMUJFWSA-N 427.838 5.721 30 20 IKED CCCc1c(NC(=O)C2(c3cccc(Cl)c3)CCOCC2)cnn1-c1cccc(C#N)c1 440078524 LMFGXLXHXNNHHB-UHFFFAOYSA-N 448.954 5.037 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 441652570 QCEGAKCFESJPID-ZDUSSCGKSA-N 447.507 5.114 30 20 IKED Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C1CC1 441905895 ROWGHZPSLQAQRI-DEOSSOPVSA-N 443.478 5.004 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)C1(c2ccccc2)CCCC1 442522655 QSOJBQLECWXCKM-RBUKOAKNSA-N 435.593 5.036 30 20 IKED CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)n2)cc1 443886295 SAZXBYITGOZSGS-UHFFFAOYSA-N 428.414 5.322 30 20 IKED C[C@H]1C(=O)N(c2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C(=O)N1Cc1ccccc1 445957925 UKWBUCXUCRIGIH-KRWDZBQOSA-N 445.906 5.148 30 20 IKED CC(C)Oc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 446845467 MSMLXPQKJYOYHN-UHFFFAOYSA-N 449.894 5.368 30 20 IKED CS(=O)(=O)c1cccc([C@H](NCC#Cc2ccccc2Cl)c2ccc(Cl)cc2)c1 446993852 MLQDURHDGHROOW-HSZRJFAPSA-N 444.383 5.128 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3ccc(Oc4nncc5ccccc45)cc3)on2)c1 447562583 MITBMEJPPOPWKP-UHFFFAOYSA-N 433.427 5.201 30 20 IKED Cc1ccccc1[C@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@H](C)CO1 460400894 BKRSIOPYLUTPIM-IQGLISFBSA-N 430.479 5.400 30 20 IKED Cc1sc(CCNC(=O)c2ccc(COc3ccccc3C#N)o2)nc1-c1ccccc1 461483013 PWSKMLYUFALILQ-UHFFFAOYSA-N 443.528 5.135 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)s2)cc1 464463104 BCCDBTPCJWQRGM-INIZCTEOSA-N 431.439 5.421 30 20 IKED CC(C)OC(=O)C[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 468232009 VUXHDQRMWLMYDX-TZIWHRDSSA-N 433.552 5.050 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(Sc4ccccn4)cc3)ccc21 470850113 YYPMMYONBNBILX-UHFFFAOYSA-N 442.544 5.068 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 471583788 BYRQTUOLELDEKM-UHFFFAOYSA-N 449.382 5.635 30 20 IKED COc1ccc(C[C@H](NC(=O)C[C@H](CC#N)c2ccccc2)c2ccc(OC)cc2)cc1 474288019 ZJRUYFDOMPLPHU-OZXSUGGESA-N 428.532 5.191 30 20 IKED N#CC[C@H](CC(=O)N1CCC(COc2ccccc2C(F)(F)F)CC1)c1ccccc1 476740663 COTKNGHHUCANQJ-HXUWFJFHSA-N 430.470 5.410 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 477637710 BYCRPPLOWGXMBX-HSZRJFAPSA-N 428.492 5.244 30 20 IKED Cc1ccc([C@@H]2CCCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)o1 480286394 POKKWTBVHDKXGF-QFIPXVFZSA-N 428.492 5.471 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NC(c1cccc(OC)c1)c1cccc(OC)c1 481801034 MRQLHHZPLPAZNF-UHFFFAOYSA-N 443.547 5.287 30 20 IKED N#Cc1cc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)ccc1OCC(F)(F)F 481941780 DHUVNPKNHRZCDV-UHFFFAOYSA-N 449.816 5.379 30 20 IKED C[C@H](c1cc(F)ccc1F)N(C)C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 482431100 CCDAKQLHDPFFGU-QLJPJBMISA-N 438.343 5.572 30 20 IKED O=C(NC[C@H]1CCCC[C@@H]1C(F)(F)F)Nc1cccc(COCC(F)(F)C(F)F)c1 483456212 OZXUWBGKZQSFRR-HIFRSBDPSA-N 444.391 5.594 30 20 IKED CCc1c(NC(=O)c2ccc(F)cc2C(F)(F)F)cnn1-c1ccc(C(F)(F)F)cc1 486062955 MZFYUSLGGWKBLI-UHFFFAOYSA-N 445.338 5.864 30 20 IKED Cc1ccc(-n2cnc3c2CCN(C(=O)Nc2ccc(Oc4cccc(C#N)c4)cc2)C3)cc1 486944024 UQPHPGLREHSTMY-UHFFFAOYSA-N 449.514 5.435 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc(C(F)(F)F)cs1 488352641 SZMZKANIVPLQEE-LBPRGKRZSA-N 432.427 5.709 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(-c3ccco3)cc2F)CC1 489324884 IZZAPZRURNPAQP-UHFFFAOYSA-N 446.438 5.060 30 20 IKED C=C(C)Cn1c(S[C@@H](C)c2nc(O)c3c(C)c(C)sc3n2)nnc1-c1ccncc1 489395649 FMPPFVRNOXAGJG-AWEZNQCLSA-N 438.582 5.097 30 20 IKED CCCn1c(S[C@H](C#N)Cc2ccc(C)cc2)nc2ccc(Br)cc2c1=O 494510714 ZKNLZOHCFHNYIB-KRWDZBQOSA-N 442.382 5.104 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC3CC(c4ccc(Br)cc4)C3)ccc21 494516592 VFUUTMYVQOTESL-UHFFFAOYSA-N 438.369 5.390 30 20 IKED C[C@@H](CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1c[nH]c2ccccc12 495098005 LUVXDFVIYJIKNM-AWEZNQCLSA-N 433.562 5.316 30 20 IKED CC(C)CCN(CCC#N)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 496334557 VVCNIBHECFCQQW-UHFFFAOYSA-N 449.502 5.418 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)NCc2cccc(C#N)c2)cc1C 500196733 HIRWBSDSMUAPHU-UHFFFAOYSA-N 449.558 5.369 30 20 IKED N#Cc1cc(C(=O)N[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cnc1C(F)(F)F 500360753 GTDOLRFTLINTNL-OAHLLOKOSA-N 446.429 5.042 30 20 IKED Cc1cccc2oc(CCNC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)nc12 500421858 HSKAUYOOUZRRMD-UHFFFAOYSA-N 440.503 5.146 30 20 IKED COc1cc(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc(OC)c1OC 500743048 LHPACPMKTPATGP-UHFFFAOYSA-N 446.503 5.256 30 20 IKED C=CCOc1ccc(CN2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1Cl 501762550 JWDVEJINRKFBTO-IBGZPJMESA-N 442.991 5.136 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc([C@@H]4CCCOC4)cc3)c2)cc1 502937595 DDIDIIAOXJRXKF-XMMPIXPASA-N 426.516 5.478 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3cccc(NC(=O)c4cccs4)c3)CC2)cc1 503643854 ODZQDEYSENSRNL-UHFFFAOYSA-N 428.517 5.193 30 20 IKED C=CCn1c(SCc2csc(-c3ccc(C(C)C)cc3)n2)nnc1-c1cccnc1 503714733 HGCFAZQTUWJDPT-UHFFFAOYSA-N 433.606 6.065 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3cccc(C#N)c3)n2)o1 504554025 JKXKXQVCYCRBAO-UHFFFAOYSA-N 442.422 5.143 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1SCc1nc(-c2ccc(C)cc2)cs1 505449866 VTTZGZBBGBEJMR-UHFFFAOYSA-N 439.654 5.217 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N(Cc3ccccc3)Cc3ccc(F)cc3)CC2)c(F)c1 508743036 YDUNPYKEJHSARA-UHFFFAOYSA-N 445.513 5.282 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21 509235288 MPFXGPKLKAHREU-QGZVFWFLSA-N 446.370 5.420 30 20 IKED COc1cc2c(cc1OC)CN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1C)CC2 510905059 MZYGPVGJGSGJKO-UHFFFAOYSA-N 443.503 5.266 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC(c2nc(C(C)(C)C)cs2)CC1 511419986 AIENZQOMLUNQAK-NRFANRHFSA-N 425.598 5.122 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 512566437 UCCXGWNDIPQNLG-UHFFFAOYSA-N 430.464 5.118 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 513877196 WKUYVWDCHABNQT-IBGZPJMESA-N 448.567 5.064 30 20 IKED CC(=O)Nc1ccc(C)c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 513986124 WRVMZOWECAQXGR-UHFFFAOYSA-N 430.483 5.199 30 20 IKED N#Cc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 515175559 CTMTWANNROUAFN-UHFFFAOYSA-N 429.483 5.271 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccccc2Cn2ccnc2)cc1F 515333347 MAIXSNVFVLQQQD-UHFFFAOYSA-N 441.466 5.056 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cc(-c4ccc(F)cc4)[nH]n3)c2)cc1 515577805 PQXUETLDFOUZBE-UHFFFAOYSA-N 426.451 5.113 30 20 IKED COc1ccc(OC2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)cc1 517407978 FKOVUIOFMDNAEG-QGZVFWFLSA-N 425.554 5.022 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)CC1 517665410 BZPLQGPEXFUZDN-VFUGHAIPSA-N 428.454 5.187 30 20 IKED COc1ccc(C2(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)CC2)cc1 518313462 CKVJQJZOQRNKSX-UHFFFAOYSA-N 429.476 5.179 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)cc2)nc1 518370498 NPIRDNYITPTPDS-QHCPKHFHSA-N 429.476 5.466 30 20 IKED C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1 518668260 XXDWGJLIQYFAPK-UXHICEINSA-N 445.588 5.956 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(N2CCCC2)c(F)c1 519432927 HQXHAQRENJYXSP-UHFFFAOYSA-N 437.462 5.703 30 20 IKED C=CCOc1c(Br)cc(CN[C@H](c2ccccc2)[C@H]2CCCO2)cc1OCC 520217720 DVBWDBYBQWFGCX-IFMALSPDSA-N 446.385 5.423 30 20 IKED CCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@H]1CCOC(C)(C)C1 520460880 PYJJLRXEMJEBLP-FQEVSTJZSA-N 425.504 5.088 30 20 IKED CC(C)c1nc(-c2ccccc2NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)n[nH]1 521249343 PXJCVSTZEZSKBU-UHFFFAOYSA-N 441.466 5.650 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N(Cc3ccc(Cl)c(Cl)c3)C3CC3)cc2)nc1 521952365 NMXNEWBXIJNDDE-UHFFFAOYSA-N 438.314 5.857 30 20 IKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)N1CCN(c2ccccc2C#N)CC1 524436277 LOCSXLSQOLBBEO-OAQYLSRUSA-N 440.547 5.361 30 20 IKED N#C[C@@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)c1cccc(Br)c1 534285875 HEAAEKNUPCHDPE-OAHLLOKOSA-N 434.746 5.026 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@H](c3cccnc3)C3CC3)cc2Cl)c1 534772202 QUARVIPPYUVJMS-QHCPKHFHSA-N 432.911 5.458 30 20 IKED C[C@H]1C[C@H]1[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1 537224456 LWSVQRBPQYZQKO-PMKZCDPUSA-N 428.001 5.660 30 20 IKED CC(C)CN(C(=O)c1ccc(C2(C#N)CC2)cc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 538550916 IJZSSJNPDVPCLA-UHFFFAOYSA-N 446.532 5.576 30 20 IKED CN(C(=O)c1cnn(CCC(F)(F)F)c1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 541271014 CJOHTUUPWAICQE-CYBMUJFWSA-N 447.301 5.230 30 20 IKED CC(C)NC(=O)Nc1ccc([C@@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 542106683 ODMIMXPJRUIPIV-WOJBJXKFSA-N 426.564 6.167 30 20 IKED C[C@H](NC(=O)N[C@@H](C)[C@H]1CCCN(C2CCC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 543017917 YYEUPGCQOZPBOD-RLSLOFABSA-N 430.596 5.238 30 20 IKED N#Cc1ccc(Oc2cccc(-c3nc(-c4cccc(CN5CCCC5=O)c4)no3)c2)cc1 546440901 XCCSTYCIGPVXPI-UHFFFAOYSA-N 436.471 5.190 30 20 IKED C=C(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@@H](c2cccs2)C1 549292411 QMJATHRHQCSESF-OAQYLSRUSA-N 431.565 5.017 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1Cl 554542180 NAFWWGSKAJWEPC-UHFFFAOYSA-N 442.906 5.097 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)N[C@@H](c3ccc(Cl)cc3)C3CC3)CC2)c(F)c1 557739542 CBGBGNAONRJXGM-JOCHJYFZSA-N 427.907 5.055 30 20 IKED C[C@@H](Oc1ccccc1C#N)c1nc(-c2ncoc2-c2cccc(C(F)(F)F)c2)no1 561933805 XWEAQLMKFRGDKF-GFCCVEGCSA-N 426.354 5.422 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H](C)Cc1cnc2ccccc2n1 571229175 DLHZZCORXMTYEO-LJQANCHMSA-N 438.506 5.361 30 20 IKED C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(Br)cc1Br 577420663 ZRDKCQXBHMYNGF-LIRRHRJNSA-N 436.191 6.297 30 20 IKED N#Cc1ccc(CN2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c(C(F)(F)F)c1 579417994 UGXRLWIJYRJZMU-QGZVFWFLSA-N 430.405 5.146 30 20 IKED COc1cccc(-c2nnc(SCc3cn4ccccc4c3C#N)n2Cc2ccco2)c1 590629031 FQPGLPZOJCGGJF-UHFFFAOYSA-N 441.516 5.012 30 20 IKED CCCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)[nH]c(C)c1C(=O)OC 603836545 COBSLILJXAFVAO-INIZCTEOSA-N 441.940 5.329 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3cc(C#N)cn3C(C)(C)C)cc(-c3ccccc3)nc21 603935145 GIFJVOQAHODEMK-UHFFFAOYSA-N 426.524 5.360 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N(Cc3ccccc3)C3CC3)cc2Cl)cc1 604153169 HHQAHQWCALYJJA-UHFFFAOYSA-N 445.906 5.134 30 20 IKED CCCCOc1c(Cl)cc(C(=O)Nc2cc(C#N)ccc2OC(F)F)cc1OCC 609068454 TWQYQHBYZAHVHY-UHFFFAOYSA-N 438.858 5.643 30 20 IKED Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609103884 HCAFZRLAUMIDEL-UHFFFAOYSA-N 443.482 5.163 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Nc3ccccc3)nc2)cc1C 609110607 ZKOUBJQMVQUTRR-UHFFFAOYSA-N 436.519 5.472 30 20 IKED C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc3ccccc3n2CC#N)cc1Cl 609164843 GTXRXBYXDIZHQY-INIZCTEOSA-N 434.927 5.085 30 20 IKED N#Cc1ccccc1COc1cccc(CNC2CCN(Cc3ccc(F)cc3)CC2)c1 609433175 BDRNGBGHWNXZKW-UHFFFAOYSA-N 429.539 5.031 30 20 IKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 609660969 XZMXGDRBOGITQZ-BDYUSTAISA-N 440.543 5.377 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1c1ccccc1Br 610674428 NFUHSDRVZHMGPT-DNVCBOLYSA-N 444.398 6.070 30 20 IKED N#C[C@@H](C(=O)c1cc(Cl)c2c(c1)OCCCO2)c1nc(-c2ccc(Cl)cc2)cs1 613319173 UFUPLPWIPHIDKO-HNNXBMFYSA-N 445.327 5.768 30 20 IKED COc1ccc(CN(C(=O)N[C@H]2CCc3cc(C#N)ccc32)C2CCCCC2)cc1OC 618851162 LEQYKBWAVFOCBI-QHCPKHFHSA-N 433.552 5.107 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 642252631 MERLWZBYUUSKHY-HNNXBMFYSA-N 437.956 5.612 30 20 IKED COc1cc(C=Nn2cnc3ccccc32)cc(Br)c1OCc1ccccc1 725849297 CWTSGPXRVKHRHT-UHFFFAOYSA-N 436.309 5.269 30 20 IKED N#CCCCOc1cccc(/C=C(/Cl)c2nc(O)c3ccc(C(F)(F)F)cc3n2)c1 726742184 LRBFDIBJYPDVEC-GZTJUZNOSA-N 433.817 5.774 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cnc(-c3ccccc3)s2)c1 727253974 PBOWEJRCIKJROR-UHFFFAOYSA-N 449.605 5.583 30 20 IKED O=C(Nc1cccc(C=NNc2ccc(Br)cn2)c1)c1ccccc1Cl 727265267 MPMRQFMORPCVGW-UHFFFAOYSA-N 429.705 5.196 30 20 IKED COc1ccc(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1[N+](=O)[O-] 727664570 URFSKBMAFHGVEI-IBGZPJMESA-N 435.867 5.093 30 20 IKED Cc1cc2nc(-c3ccccc3)cc(C(=O)Nc3ncccc3OCCCC#N)c2cc1C 728523980 ZHGIWNSWXXDUMS-UHFFFAOYSA-N 436.515 5.849 30 20 IKED COc1cccc([C@@H](C#N)NC(=O)c2cc(-c3ccccc3)nc3cc(F)ccc23)c1OC 729432437 HVZRTYLTWZRFJB-HSZRJFAPSA-N 441.462 5.053 30 20 IKED C#Cc1cccc(N(Cc2ccco2)C(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)c1 729656219 UPKAXMWDBVDCHZ-UHFFFAOYSA-N 434.495 5.385 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 730376551 XGCVFLNRZNKIEK-MRXNPFEDSA-N 448.450 5.072 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)c1nc(-c2c(F)cccc2F)cs1 731290983 RJHDMDYWESTALL-IPMKNSEASA-N 430.479 6.221 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC([C@@H](O)c4ccccc4)CC3)cc2)cc1 732265577 AWUGUXAKIFXDLT-SANMLTNESA-N 426.516 5.131 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=NNc1ccc(Br)nc1 732712872 JYAXXRTYQJQDIW-UHFFFAOYSA-N 439.144 5.150 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(N(C)Cc3ccccc3)cc2)c1 733843627 LQQPIXSOWSSWDH-XMMPIXPASA-N 428.536 5.326 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1cnc(C(C)(C)C)s1)C(=O)c1ccccc1 736432568 ATNSERJNLHQRQH-CJLVFECKSA-N 446.616 6.470 30 20 IKED COc1ccc(Br)cc1CC(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 744036284 ZEDNNHUTROSCMM-QGZVFWFLSA-N 441.350 5.309 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)OCc3nnc(-c4ccc(C#N)cc4)o3)s2)c(C)c1 744885152 PWYSVTPDROLVTF-UHFFFAOYSA-N 430.489 5.014 30 20 IKED N#CC(CCOC(=O)c1cnc(-c2ccncc2)s1)(c1ccccc1)c1ccccc1 745170170 VESGDCCOYGRWQE-UHFFFAOYSA-N 425.513 5.262 30 20 IKED C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)cc1OC 746010895 NOFXYWVREHNADT-SERSOLAASA-N 445.563 5.568 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H](c2ccccc2)N2CCSCC2)cc1 746829467 KXWNNNWVEYWQNF-LOSJGSFVSA-N 427.573 5.071 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(OC3CCCC3)CC2)c1=S 749669009 YFIPNHIVBSOBSV-UHFFFAOYSA-N 433.021 5.302 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(C[C@@H](O)c3ccc(F)cc3)C3CC3)cc2)cc1 750593873 YUDXTHOYJDBBAN-XMMPIXPASA-N 431.467 5.220 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC[C@H](O)c3cc4ccccc4s3)cc2)cc1 758320468 OMMAVHBPSFOMPC-QFIPXVFZSA-N 428.513 5.223 30 20 IKED COc1ccc(C(=O)/C=C/c2cc(Br)cc(C(F)(F)F)c2)cc1NC(C)=O 759085227 UCKOIUOIUDOYBQ-HWKANZROSA-N 442.231 5.331 30 20 IKED N#CCOc1cccc(CC(=O)Nc2cc(C(F)(F)F)ccc2NCc2ccccc2)c1 761182834 YALNIPIGPPZFRX-UHFFFAOYSA-N 439.437 5.401 30 20 IKED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1sc2cc(C(C)C)ccc2c1Cl 763766823 JENSHLUHRPZERJ-UHFFFAOYSA-N 435.940 5.691 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)c1=S 764876142 OVSRVHDUGPIZGR-UHFFFAOYSA-N 445.514 5.303 30 20 IKED Cc1nc2sc3c(c2c(=O)n1N=Cc1ccc(Sc2ccccn2)o1)CCCCC3 766430775 CISXYHJPTSYNNG-UHFFFAOYSA-N 436.562 5.057 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1 778713307 DZCCCCGUCJBHKH-NQIIRXRSSA-N 449.551 5.034 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N2CCC(c3nc4cccc(C)c4o3)CC2)cc1OC 781838542 WAFWSPSLEGMWPW-LUAWRHEFSA-N 432.520 5.129 30 20 IKED COc1cc(Br)ccc1CCC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 782606063 ZNCIMRQSGYAGNS-AWEZNQCLSA-N 433.302 5.016 30 20 IKED C#CCN(C(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1)C1CCCC1 784069028 IJXKYDZJULHHLD-UHFFFAOYSA-N 439.581 5.099 30 20 IKED C=CC[C@H](NC(=O)C(=O)N[C@H](c1ccc([C@H](C)CC)cc1)c1cccs1)c1ccncc1 785552310 TZRHLYSENBQFDE-RVSNTGDXSA-N 447.604 5.296 30 20 IKED Cc1cc2c(Br)ccc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)c2o1 785880413 JBZVUYPSBWISAL-GOSISDBHSA-N 447.288 5.618 30 20 IKED Cc1c(C(=O)[C@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cnn1C1CCCCC1 787049631 HWAAZRCYLFBJJE-ACJLOTCBSA-N 447.366 5.203 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)OCc3ccc(SCc4ccccc4)cc3)CC2)o1 790953356 YHEXTGKXGOUJJR-UHFFFAOYSA-N 447.560 5.107 30 20 IKED C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cnc(-c4ccccc4OC)nc3)c12 792869141 JMQWRQDFWJGHBL-YPKPFQOOSA-N 449.514 5.145 30 20 IKED CC(C)[C@@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)C(=O)Nc1ccccc1C(F)(F)F 796039318 MXVSYVWITDSUQK-LJQANCHMSA-N 432.442 5.327 30 20 IKED CC(C)(C(=O)NCc1cc(C#N)ccc1F)c1csc(-c2c(Cl)cccc2Cl)n1 796728545 OAWIOYVGSNGGEZ-UHFFFAOYSA-N 448.350 5.722 30 20 IKED COC(=O)[C@H](Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1)c1cccc(C#N)c1 797865251 SMBSQNIXSLRBBP-JOCHJYFZSA-N 438.430 5.161 30 20 IKED Cc1sc(Br)c(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1C 799602322 NKGIYTJYGGOUQU-JTQLQIEISA-N 446.153 5.395 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 802041033 OBZYLRIHGKIQTH-IUODEOHRSA-N 433.188 5.370 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1 806452217 SMAHFDLPTJOESI-SANMLTNESA-N 428.576 6.306 30 20 IKED O=C(/C=C/c1cc(C(F)(F)F)ccc1Br)c1ccc(N2CCOC2=O)cc1 811690255 YQOFGVPVQXRHLN-FPYGCLRLSA-N 440.215 5.321 30 20 IKED N#CCOc1ccc(/C=C2/SC(=S)N(CCSc3ccc(Cl)cc3)C2=O)cc1 814268015 OBQJMSMUKSNDOZ-QGOAFFKASA-N 447.006 5.236 30 20 IKED C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(C(F)(F)F)nc1Cl 817863049 SQVFGCWYRWPOGQ-LBPRGKRZSA-N 449.816 5.288 30 20 IKED COc1ccc(Cc2nnc(S)n2N=Cc2ccc(-c3ccccc3Cl)s2)cc1 874098496 VVECCDISIWAHMK-UHFFFAOYSA-N 440.981 5.430 30 20 IKED C[C@H](N/C=C1\C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21)c1ccc(C#N)cc1 915184950 ATJGFEZWTLLABH-NOEYKIMYSA-N 427.891 5.090 30 20 IKED Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)c1ccc(C2CCCCC2)cc1 916137017 AHQHXRKPQBARTG-DUQGCJEPSA-N 447.000 5.148 30 20 IKED C[C@@H]1CCc2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc2C1 916904400 BWSYBWSFHZHIQL-VQIMIIECSA-N 430.529 5.626 30 20 IKED Cc1ccc(Oc2ccc(OCC(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)cc2)cc1 916908778 ILQJVNDORNHRJY-HXUWFJFHSA-N 434.879 5.167 30 20 IKED N#C[C@@H](C(=O)/C=C/c1cc(Br)ccc1F)c1nc(-c2ccccc2)cs1 917025536 NBCPSIIZGHABOB-FSNWXROXSA-N 427.298 5.601 30 20 IKED Cc1ccc(N2C(=O)/C(=C\Nc3cccc(OCCCC#N)c3)c3ccccc3C2=O)cc1 917602002 DIMQFKJFNFBJRC-BWAHOGKJSA-N 437.499 5.318 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C)n(Cc2ccccc2)c1C 918112701 DPXMBCJSSRNKDK-UHFFFAOYSA-N 436.515 5.773 30 20 IKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2cc3c(ccc4ccccc43)[nH]2)c1C 918786558 KQWROQIWKAEEBW-UHFFFAOYSA-N 425.488 5.042 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)C(C)(C)Oc3ccc(Cl)cc3)n2)cc1 920144200 YSEPHKUYXMKTIF-GOSISDBHSA-N 426.925 5.506 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@H](CCc1ccccc1)c1ccccc1 920878183 VGCGFLLESQCTKB-RUZDIDTESA-N 438.531 5.068 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-n3ccnc3O)cc2)cc1Cl 1141628178 NNMNBTNBMJQLBJ-NRFANRHFSA-N 428.879 5.139 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 1585609876 JWJTXSFOFYQKJS-ICSRJNTNSA-N 443.547 5.226 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)CSc3ccccc3)cc2)CCC1 1787774456 BAKNNCSHJBKPNE-UHFFFAOYSA-N 430.520 5.124 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc4sccn4c3)cc2)CCC1 1788413049 QZJTWWFWZFCFBL-OAQYLSRUSA-N 433.577 5.517 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5cccnc45)CCC3)cc2)cc1 1790287506 FPVZEUFCPCZEPS-UHFFFAOYSA-N 446.510 5.168 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccoc4)cc3)CCC2)c(Cl)c1 1791955679 GMGLFJLTNUDTKF-UHFFFAOYSA-N 447.922 5.185 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/C2CCCCC2)[C@H]1c1cccnc1 1810505045 LNLHVFSNSPLHSL-ZRZKYUINSA-N 437.628 5.216 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(F)cccc2Cl)[nH]n1 1819308034 TVOXTSBQVOPMPZ-DNVCBOLYSA-N 444.938 5.277 30 20 IKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)CCC3CCCC3)CC2)cc1 1823683723 HPMZWHIEFJOIFO-SANMLTNESA-N 449.639 5.081 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cnc2Cl)CC1 1823750896 WPNALPNGNFHKQJ-OAQYLSRUSA-N 446.035 5.269 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3[nH]ccc3s2)CC1 1824142547 WSRJVIWFRUDKKJ-OAQYLSRUSA-N 439.625 5.231 30 20 IKED Cc1csc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1824681381 HOTLXXOKHHFUIL-XXBNENTESA-N 449.620 5.231 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2coc(C(C)C)n2)CC1 1825414112 JFLNVSPINZJVAS-OAQYLSRUSA-N 429.605 5.024 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ccncc23)CC1 1828830115 LCQZAOAYGBKJTR-ZEQKJWHPSA-N 445.607 5.237 30 20 IKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 1830771100 RAIGXQBYYBXNGL-XMMPIXPASA-N 449.982 5.067 30 20 IKED C[C@H](C#N)SC1=N/C(=C\c2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1Cl 9456806 XTUXCTLOBHSJSR-PDICVPPASA-N 436.751 6.036 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1cc(C)sc1C)[n+]1ccc(N(C)C)cc1 10174395 JAWTUDVPHBAYTR-UHFFFAOYSA-O 438.642 5.332 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2[nH]c(C)c(C(C)=O)c2C)[n+]2ccccc2CC)c1 10174513 VCYFNKSGBKTLIZ-UHFFFAOYSA-O 448.612 5.297 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(C(C)C)cc2)cc1 11263100 RGVCCBKMJAEBCT-UHFFFAOYSA-O 439.551 5.989 30 20 IKED COc1ccc(-c2nnc(SC[C@H](C#N)CCC#N)n2-c2ccccc2C(C)C)cc1 15234057 OHVRJBKNZMFENT-SFHVURJKSA-N 431.565 5.602 30 20 IKED Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccncc3)n2-c2cccc(Cl)c2C)cc1 24700412 BJFRNVJTOOMQAI-HXUWFJFHSA-N 445.979 5.827 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 63250483 AXSSVSOTAGARDZ-UHFFFAOYSA-N 430.464 5.067 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ncccc1OCCCC#N 72087511 HRIMPJMCXCFLOC-UHFFFAOYSA-N 442.928 5.014 30 20 IKED CCN(CC)C(=O)c1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1Cl 97547108 VTKSUJOCQKWXMM-UHFFFAOYSA-N 447.922 5.738 30 20 IKED CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 108373870 BPFSFMQBEMDSEI-UHFFFAOYSA-N 428.532 5.647 30 20 IKED Cc1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1C(F)(F)F 109646248 IJGLFBTWCATGID-UHFFFAOYSA-N 432.299 5.005 30 20 IKED N#Cc1ccc(SCC(=O)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)cc1 303188524 LRFKOUYMOAYAMC-UHFFFAOYSA-N 430.316 5.783 30 20 IKED CC1CCN([C@H](CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2cccs2)CC1 303404447 RYQIUIMIKHYELD-AZUAARDMSA-N 442.654 5.595 30 20 IKED CC1CCN([C@H](CNC(=O)Nc2ccccc2SC[C@H](C)C#N)c2cccs2)CC1 303404450 RYQIUIMIKHYELD-UYAOXDASSA-N 442.654 5.595 30 20 IKED C[C@@H](NC1(C/N=C(/N)Nc2cccc(Oc3ccccc3)c2)CCOCC1)c1ccccc1 304750466 ILTVEGAREAWHEL-OAQYLSRUSA-N 444.579 5.106 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CCOC4(CCC4)C3)cc2Cl)c1 426078059 QLXLRASTAXOKEU-LJQANCHMSA-N 425.916 5.014 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Br)c2c1OCCC2 426325832 WUTOCIXNJJQAMT-ZDUSSCGKSA-N 431.355 5.421 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)c1 427448587 JIKPXNDUOWCAGY-UHFFFAOYSA-N 443.503 5.501 30 20 IKED N#C[C@@H](C(=O)c1cnc(OCc2ccccc2)cn1)c1nc(-c2ccc(Cl)cc2)cs1 429110673 AKKKRNGNLSBPLT-SFHVURJKSA-N 446.919 5.323 30 20 IKED CCCN(C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@@H](C)c1ccc(Cl)c(Cl)c1 434993798 DCLYITXNZFVYQB-AWEZNQCLSA-N 449.382 5.360 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CCS3)cc1F 437463763 ALQXXRILEXIQPC-UHFFFAOYSA-N 433.464 5.176 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 437882679 ROJZGBFKYRXBMG-WIYYLYMNSA-N 448.910 5.489 30 20 IKED CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Nc1ccccc1S[C@@H](C)CC#N 438046769 YIWKRSYOKHZYOL-IBGZPJMESA-N 430.577 6.197 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(COc3ccccc3)CC2)cc1F 438648632 KDCGAVFYXAZFIF-UHFFFAOYSA-N 445.494 5.813 30 20 IKED N#CCC[C@@H](NC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccccc1 438854874 XTMPSZGGNPRDCR-OAQYLSRUSA-N 445.485 5.098 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2nc(-c3cccc(O)c3)cs2)c1 439533923 MBJXJBSWHIUXHU-UHFFFAOYSA-N 427.485 5.219 30 20 IKED N#Cc1ccc(CNc2ccc(F)c(NC(=O)Cc3ccccc3)c2)c(OC(F)F)c1 439556353 DUXBCYFAVZAWEP-UHFFFAOYSA-N 425.410 5.092 30 20 IKED Cc1nc(-c2ccc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cc2)cs1 440752194 YVWWHNSLDWKMOL-UHFFFAOYSA-N 426.501 5.738 30 20 IKED CN(CCCCCc1cc(-c2cccc(F)c2)no1)Cc1nnc(-c2cccc(C#N)c2)o1 441523203 HOVNDHDFKIPHEG-UHFFFAOYSA-N 445.498 5.247 30 20 IKED C=CCC[C@H](NC(=O)CCc1nc(-c2ccsc2)no1)c1ccc(C(F)(F)F)cc1 441584197 ZQUMDRIAJFPEHP-KRWDZBQOSA-N 435.471 5.573 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(-c4noc(-c5ccc(F)cc5)n4)cc3)[nH]c12 442729190 IXZIKMNZAAXMKC-LJQANCHMSA-N 437.434 5.218 30 20 IKED C=CCN(C(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1)c1nc(C(=O)OCC)cs1 443865136 ACLBVQSWCBUNEI-UHFFFAOYSA-N 438.549 5.710 30 20 IKED CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1cn(CCCC#N)c2ccccc12 444278070 ADUCNZKCZPGXMW-UHFFFAOYSA-N 429.442 5.115 30 20 IKED CC(C)N(C[C@H](O)COc1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 444894869 JKAXQQALXSAHAL-QFIPXVFZSA-N 445.519 5.033 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(Cc3ccc(F)cc3)no2)nnc1-c1ccc(F)cc1 445591538 FXYIJJKZZLJRMA-AWEZNQCLSA-N 439.491 5.236 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](c2cccc(O)c2)C1 460376169 RVGLPLWUFGRKTF-HXUWFJFHSA-N 445.350 5.112 30 20 IKED C=C(C)Cn1c(-c2sccc2C)nnc1N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 460384631 DXDPPGKTENKSHN-ZWKOTPCHSA-N 448.514 5.222 30 20 IKED C[C@H](Oc1ccc2ccccc2c1)c1nnc(N(C)[C@H](C)CC#N)n1Cc1cccs1 461316881 VOTKLPFPBHBXGV-MSOLQXFVSA-N 431.565 5.419 30 20 IKED Cc1nc(C(F)(F)F)sc1C(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 462402988 PYCNZWUVNVHDGV-OAHLLOKOSA-N 426.357 5.200 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)cc1 464735569 OEVBVRBLCZJLBG-SFHVURJKSA-N 438.487 5.124 30 20 IKED CC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1c(C)nn(C)c1C 466292018 YWIMPUPTYAVUCM-IFMALSPDSA-N 435.959 5.619 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)nc(C(F)F)n4C)n2)cc1 467200064 FUHLYGLRHQCSJB-HNNXBMFYSA-N 438.459 5.133 30 20 IKED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(=O)Nc1cccc(Cl)c1Cl 469261580 PBOKTVJYCACWHI-CQSZACIVSA-N 445.350 5.015 30 20 IKED N#Cc1cccc(-c2nnc(CNC(c3ccc(Cl)cc3)c3ccc(Cl)cc3)o2)c1 471607403 ZIVAGIVSYQQUQA-UHFFFAOYSA-N 435.314 5.794 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2cc(Cl)ccc2-c2nc(C3CC3)no2)c1 471624301 BSUNKFXTFSAFDA-UHFFFAOYSA-N 436.899 5.327 30 20 IKED Cc1ccc(-c2noc([C@@H](C)NC(=O)Nc3ccccc3SC[C@H](C)C#N)n2)cc1F 473824930 ZQJIAAHFJKYKFJ-UKRRQHHQSA-N 439.516 5.319 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 476077347 DAAHIKZFGIMRMF-LJQANCHMSA-N 440.609 5.211 30 20 IKED CC(C)(C)C[C@@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)C(F)(F)F 479283182 LXPPCQPJCGDBEB-CYBMUJFWSA-N 425.348 5.127 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H](C(F)(F)F)[C@H]1C 480654801 VBMUXXPINWBTMT-UZLBHIALSA-N 431.458 5.640 30 20 IKED Cc1nc2ccccc2n1C1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc23)CC1 480836225 FLESASKXFHVAQF-UHFFFAOYSA-N 433.462 5.208 30 20 IKED CC(C)c1ccc([C@H](NC(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)C(C)C)cc1 480964303 PAWBKQSYYOJUQT-VGOFRKELSA-N 427.570 5.015 30 20 IKED N#Cc1ccc(SCC(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1 482101861 GQGPGLRDARKNIY-UHFFFAOYSA-N 427.982 5.320 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccccc1OCc1ccccc1 482179250 AAVHLEYMSGOWOF-UHFFFAOYSA-N 432.568 5.331 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2cc3ccccc3o2)nnc1-c1cccs1 489438145 LZGRNLXDPLVIMA-OAHLLOKOSA-N 438.578 5.251 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N[C@H](C)c3cc4ccccc4o3)o2)cc1 489756494 KZIPROZUKXDSQX-HZPDHXFCSA-N 449.532 5.406 30 20 IKED CN(CCc1ccc(Cl)cc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 490396288 CFQHLBQIRXJEDI-UHFFFAOYSA-N 443.985 5.062 30 20 IKED C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)c1ccccc1Sc1ccccc1C#N 499296883 UHRXRYXYWUWETH-QGZVFWFLSA-N 430.529 5.189 30 20 IKED CC[C@@H](c1ccccc1)c1nnc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)s1 503455605 BIQMECXBKXQBKU-NRFANRHFSA-N 429.549 5.273 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c23)nc2ccccc21 505317664 QLJSNBWVVPHIMU-INIZCTEOSA-N 427.508 5.066 30 20 IKED CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)C1 505633118 KBWCIWDEKDTKHI-PZJWPPBQSA-N 435.593 5.234 30 20 IKED N#C[C@@H](NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1ccccc1Cl 505695696 WGIONUOMFRMIRW-OAQYLSRUSA-N 437.952 5.358 30 20 IKED COC(=O)c1c(NC(=O)N(C)[C@H](C)CC#N)sc(C)c1-c1ccc(Cl)cc1Cl 506968949 QIHOLMZEKVSQAR-SNVBAGLBSA-N 440.352 5.583 30 20 IKED Cc1nc(-c2ccc([C@H](C)NC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc2)cs1 508222615 NDYLMESWNXWJMD-KRWDZBQOSA-N 446.576 5.304 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@H]3c3ccc(F)cc3)c2)c1 511457107 AIEBNVXWJULVPR-QHCPKHFHSA-N 428.467 5.319 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N(Cc3ccco3)c3cccc(Cl)c3)CC2)c(F)c1 511970794 FGRZBSZZPZHSSF-UHFFFAOYSA-N 437.902 5.394 30 20 IKED CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 512716959 SIEPJGQUKALJLU-UHFFFAOYSA-N 443.547 5.609 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@]3(CC=CCC3)C2)cc1Cl 513046652 MUNBITDPZOEJRB-ATIYNZHBSA-N 447.966 5.283 30 20 IKED N#C[C@H](C(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1ccc(C(F)(F)F)cn1 513186535 KCLHEZCDPMIGPP-FQEVSTJZSA-N 436.389 5.916 30 20 IKED COc1ccc2cccc(CC(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)c2c1 513803892 NZIGDLSSNSABCV-UHFFFAOYSA-N 446.557 5.045 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)N(c1cccc(Cl)c1)c1nc2ccccc2s1 516470042 WJQAMLYYFVIDTE-HNNXBMFYSA-N 433.920 5.954 30 20 IKED Cc1nc(-c2ccc([C@H](C)NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cc2)cs1 517656032 LOKVTMHPDDDNLA-INIZCTEOSA-N 440.528 5.669 30 20 IKED CCCOc1c(Cl)cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OCC 518739153 PXKSZOCYZZURDX-OAHLLOKOSA-N 432.973 6.174 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)cc1Cl 519105229 FPCVWYDGRBAMBL-FGZHOGPDSA-N 447.897 5.126 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccc(F)cc2)cc1 519449103 VEVITCIIPIGTAO-XDHUDOTRSA-N 449.551 5.997 30 20 IKED C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 520195548 CLTCPHRXBXSVNV-GJZGRUSLSA-N 437.487 5.689 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 520600518 BPAGJAVYKQUUJJ-UHFFFAOYSA-N 437.503 5.475 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N(CCc3ccccn3)Cc3ccncc3)c2)cc1 521074929 HPXICKRUIVQHCV-UHFFFAOYSA-N 434.499 5.026 30 20 IKED Cc1c(C#N)c(NC(=O)CCS[C@H](C)c2ccc(F)cc2)n(Cc2ccco2)c1C 521610078 FZPMUJSEYAAUBX-QGZVFWFLSA-N 425.529 5.580 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cccc(N3CCCC3=O)c2)c1 522575793 HYEKBUQTRBQHTR-UHFFFAOYSA-N 431.879 5.383 30 20 IKED COCc1c(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)sc2cccc(F)c12 523533647 XOQCUXPLGNCNOR-UHFFFAOYSA-N 434.496 5.113 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cccc(OCC(F)F)c1 524158369 VGFGMRGFQXNQCL-UHFFFAOYSA-N 437.446 5.625 30 20 IKED COCCN(Cc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 524437926 GSEJBPGIYSVCAX-UHFFFAOYSA-N 429.520 5.126 30 20 IKED COc1cc(CN(C)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(SC)cc1OC 524639210 GHOABGZNKSBUJV-UHFFFAOYSA-N 448.544 5.362 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1-c1ccc(Cl)cc1 524808790 CCSIMLCLWKKYSH-AWEZNQCLSA-N 438.314 5.348 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)c1ccc(C(C)C)cc1 525110791 LTJNPJLVFSDNHR-KRWDZBQOSA-N 439.556 5.669 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(CSC2CCCC2)c1 525435057 ITOTWNKMBKCJHK-UHFFFAOYSA-N 435.593 5.111 30 20 IKED Cc1ccc(C(=O)Nc2cc(CC#N)ccn2)cc1OCc1csc(Br)c1 531669735 JEYWIJIWCLCJLE-UHFFFAOYSA-N 442.338 5.111 30 20 IKED CN1CC[C@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)[C@H]1c1ccccc1 536265399 UYSRQGNFNACVBU-UKILVPOCSA-N 427.573 5.026 30 20 IKED COc1cc([C@H](C)N[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)ccc1OCc1ccccc1 537052359 CHNCXYDWQPZJLN-ROUUACIJSA-N 447.535 5.034 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1 537928627 YWXOYVGHKSCLDG-OZXSUGGESA-N 441.531 5.345 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1cccc(F)c1)C1CCCC1 539329268 DTDUBVBOBJAPIM-BXKMTCNYSA-N 425.573 5.680 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 540854313 OEPIWUBLIINCMC-UHFFFAOYSA-N 435.487 5.198 30 20 IKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)c12 542297009 LVXLMMFJTKANBE-UHFFFAOYSA-N 426.476 5.283 30 20 IKED O=C(c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 553348618 SBCZCKMFKPQZQG-FZKQIMNGSA-N 449.366 5.144 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N(CCC#N)c3ccc(F)cc3)cc12 556707244 JLIIDTQJVGNJMI-UHFFFAOYSA-N 438.915 5.748 30 20 IKED N#Cc1ccc(NCc2cccc(-c3nc(CC(F)(F)F)no3)c2)cc1C(F)(F)F 558599186 XJPBFZWXSOOLRJ-UHFFFAOYSA-N 426.320 5.344 30 20 IKED Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 558823034 KQMPSVCNEXHLMD-IHWFROFDSA-N 446.938 5.288 30 20 IKED N#CCCC[C@H](NC(=O)C(=O)Nc1cccc(COC2CCCCC2)c1)c1ccccc1 560283256 VUYYTOHAQKQEDA-DEOSSOPVSA-N 433.552 5.026 30 20 IKED C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC[C@H](OCCC)CC1 564383505 SZHGFJDRWVINGV-QHCPKHFHSA-N 446.595 5.496 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1)[C@@H]1C[C@H]1C 572635007 DKXMRRHXZMCEMI-UZUQRXQVSA-N 425.488 5.364 30 20 IKED N#C[C@@H](CCc1ccccc1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 573749891 DUKLBTPJTOUORR-IFMALSPDSA-N 430.470 5.062 30 20 IKED C=CCC[C@H](NC(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1ccccc1 579419436 ILPQLLMBFUOVRH-IBGZPJMESA-N 444.457 5.348 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)N(C)CCOCc3ccc(C#N)cc3)s2)cc1 582442062 DAWSRMDHAGPQOJ-IBGZPJMESA-N 448.592 5.218 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccoc3C(F)(F)F)s2)c(C(F)(F)F)c1 584142360 UOXIXGFNFOAUCI-UHFFFAOYSA-N 445.344 5.488 30 20 IKED Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)[nH]c2c1 584262218 PYHHTLWDIOEWPI-QHCPKHFHSA-N 438.491 5.299 30 20 IKED COc1cccc([C@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)c1 584324747 LJOXCKTVJJYANA-RUZDIDTESA-N 435.531 5.215 30 20 IKED C=C(C)[C@H](Cc1nc(-c2cccnc2Oc2ccc(C)cc2Br)no1)OCC 584502411 AYWUKENIJQLXMS-SFHVURJKSA-N 444.329 5.519 30 20 IKED C=CCOc1ccc(C(=O)Nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn2C)cc1 589974956 GOSUQCUNGYVYLI-UHFFFAOYSA-N 435.833 5.576 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@@H](C)O2 594304179 QAUURWLFEKLDRX-LSBZLQRGSA-N 447.000 5.377 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1 603755336 NZJDFGIFBMSRIB-QFIPXVFZSA-N 435.321 5.099 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)cn2)cc1 603763801 GVSFCFQMSRPUMH-UHFFFAOYSA-N 440.484 5.312 30 20 IKED Cn1ccnc1SCc1cccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1 604535303 VFXXJUGNFSZVQN-UHFFFAOYSA-N 441.516 5.024 30 20 IKED C=CCOc1ccc(C(=O)N2CCC[C@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)cc1OC 605380392 LIRFQRHRRYFNPF-FQEVSTJZSA-N 437.927 5.281 30 20 IKED Cc1c(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cccc1C(=O)Nc1ccccc1 608916341 ARNCOCHBUAPPQU-UHFFFAOYSA-N 426.520 5.562 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn(-c2ccccc2C)c1C 609061683 UTNIKIVIISIHEZ-UHFFFAOYSA-N 436.515 5.501 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)N[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 609221902 JLHGQVRRYPJNFN-TZMCWYRMSA-N 442.947 5.461 30 20 IKED CCCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cc(Cl)ccc1C#N 609286418 WIFHHTYLKLUVJC-UHFFFAOYSA-N 429.907 5.123 30 20 IKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Sc2ccccc2)c1 609398457 SPPHRPBDBZXQBZ-UHFFFAOYSA-N 430.577 5.305 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 609431725 HISXGPXNJXHUKJ-QMHKHESXSA-N 439.581 5.599 30 20 IKED CCN(Cc1ccc(OC)cc1OC)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609434407 GHCCAKMLBVWWHE-UHFFFAOYSA-N 431.492 5.422 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnc(-c2ccncc2)s1 610174473 ZYQJBQIZMHFTRZ-UHFFFAOYSA-N 426.501 5.217 30 20 IKED C[C@@H](NS(=O)(=O)Cc1cc(-c2ccccc2)no1)c1ccc(-c2cccc(C#N)c2)cc1 611791087 WCGFCZQYCOTUNC-GOSISDBHSA-N 443.528 5.061 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)c1C#N 617448727 NEOCEVIMVSLERS-UHFFFAOYSA-N 438.381 5.015 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccc3ccccc3c2)o1 643101522 ALZYSERMWVZTCO-MRXNPFEDSA-N 435.574 5.647 30 20 IKED C#Cc1cccc(NC(=S)N(Cc2ccccc2)[C@H](C)c2cccc(NC(C)=O)c2)c1 726453435 FNHKZPYPUWAIIY-LJQANCHMSA-N 427.573 5.587 30 20 IKED N#CCCCOc1cccc(/C=C(/Cl)c2nc(O)c3c(-c4ccccc4)csc3n2)c1 726741064 BGFOYOBXXZOWPB-XSFVSMFZSA-N 447.947 6.483 30 20 IKED C=CC(=O)Nc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 727999179 IHKLWNLIWHJWNI-UHFFFAOYSA-N 431.879 5.167 30 20 IKED COc1ccc(-c2nc(S[C@H](C)c3ccc(OC(F)F)cc3)nc(O)c2C#N)cc1 728703984 WVFGFFCACDGSBG-GFCCVEGCSA-N 429.448 5.184 30 20 IKED CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 729552824 MCNXHCFYTUHKET-XZOQPEGZSA-N 448.567 5.205 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)Nc1cccc(OCC#N)c1 730137162 ADUADXUUUMNJAJ-CQSZACIVSA-N 426.929 5.557 30 20 IKED N#CCCSc1ccccc1N=Cc1cc(Br)cc(Br)c1O 730951770 QCEUGAYJLXDLMB-UHFFFAOYSA-N 440.160 5.674 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1sc2ccccc2c1Cl 731061259 RASJVKDXXFAPLH-CYBMUJFWSA-N 444.965 5.744 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(CC2CC2)C(=O)N[C@H]1c1csc(C(C)(C)C)n1 731431231 YDWDVFVHEMXJFO-IBGZPJMESA-N 427.545 5.056 30 20 IKED CC[C@H](C#N)Oc1cc(CNCc2csc(-c3ccc(Cl)cc3)n2)ccc1OC 733329915 FZSZKECGPBCVSU-LJQANCHMSA-N 427.957 5.443 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(CC)Cc2cc(Br)ccc2F)c1 733806827 NRDIRZOXINULQE-SFHVURJKSA-N 448.336 5.001 30 20 IKED C=CC[C@H](NC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1)c1ccncc1 734679465 MNKUGYFKYVMTFF-QFIPXVFZSA-N 441.362 5.813 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c1 735115102 TVQHQFFVTXNJEG-VWLOTQADSA-N 446.934 5.590 30 20 IKED CN(CCC#N)c1ccc(CNC[C@@H]2CCCN(C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 735508731 MWNRXGPSUDIBNT-URXFXBBRSA-N 444.545 5.228 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2)s1 740435985 ZAUCZNOYUHCGOD-RUZDIDTESA-N 448.551 6.264 30 20 IKED N#C[C@@H](C(=O)[C@H]1CCSc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 744035006 JTNYYUBOEWTBDR-HOCLYGCPSA-N 445.396 6.573 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C(\C)c3cccc(C(F)(F)F)c3)n2)cc1 744062714 WFJQVXAQYDVFEQ-ATEOEAFZSA-N 442.462 6.117 30 20 IKED COc1cc(/C=C(/C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cc(OC)c1 747155216 SFFZMRLDEPRIRW-HYARGMPZSA-N 449.934 5.879 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)Cc2csc(-c3cccc(Br)c3)n2)n1 747193634 LDUWLDIYGOVSQN-OAHLLOKOSA-N 446.395 5.571 30 20 IKED CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccc(C#N)s2)NC(=S)N1c1ccccc1 749016148 YONCNWCZDUWUOX-NRFANRHFSA-N 448.548 5.107 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1Cl 749907909 DZXCWVVIBXDNTA-KRWDZBQOSA-N 426.259 5.809 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CC[C@@H]3c3ccc(Cl)cc3)s2)cc1 752193488 FYFQZURGJVWTOD-QGZVFWFLSA-N 441.969 5.334 30 20 IKED COc1cc(F)c(C(=O)/C=C/c2csc(COc3ccc(Cl)cc3)n2)cc1OC 760268665 BHFCLQMQVFUBCY-VMPITWQZSA-N 433.888 5.428 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1sc(-c2ccccc2)nc1C(F)F 762023756 HBFIDETXBOEVGH-AWEZNQCLSA-N 441.459 5.108 30 20 IKED C[C@H](OC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 767633392 LHHDVCJMGWOEJQ-LBPRGKRZSA-N 446.290 5.377 30 20 IKED Cc1cc(CSc2ccccc2C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)on1 768140039 JSNBDKSROUAIRE-SFHVURJKSA-N 447.438 5.169 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)ccc1NC(=O)OC(C)(C)C 772554604 QLYOUGCMSWWFMY-GOSISDBHSA-N 433.533 5.956 30 20 IKED Cc1cc(C(=O)N[C@H](C#N)c2cccc(Br)c2)ccc1NC(=O)OC(C)(C)C 772696055 YMTVSYWMQCIJNB-GOSISDBHSA-N 444.329 5.099 30 20 IKED CC(C)(C)OC(=O)N1[C@H](C(=O)[C@H](C#N)c2nc3ccccc3s2)C[C@@H]2CCCC[C@@H]21 777292374 YXIPMKLZXRHYFN-LAQRGFTBSA-N 425.554 5.041 30 20 IKED N#C[C@@H](C(=O)CCOc1ccc2ccccc2c1)c1nc(O)c2c3c(sc2n1)CCCC3 780301937 LHOKARMBVXYKGP-IBGZPJMESA-N 443.528 5.074 30 20 IKED CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N2CCC[C@@](C)(C#N)C2)c1=S 784748939 UOFRFCAEWNOJGP-QFIPXVFZSA-N 446.020 5.077 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(-c2noc(-c3cc(-c4cccc(C#N)c4)no3)n2)c1 788402238 SRCHOKPTXBDOAH-UHFFFAOYSA-N 429.436 5.277 30 20 IKED C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)Nc1ccccc1S[C@H](C)CC#N 788599433 YPFLKAZMOCKKSG-SJORKVTESA-N 438.553 5.262 30 20 IKED N#CCCCOc1cccc(/C=C2\SC(=S)N(CCCCC(F)(F)F)C2=O)c1 794863894 ZKGGZRXXOBKEBO-SSZFMOIBSA-N 428.501 5.303 30 20 IKED C[C@@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 795983309 PISISMQWFLTPMQ-ZBFHGGJFSA-N 429.398 5.447 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)ccc1OC 798108606 ALJLUJHCQNWMHQ-HHXXYDBFSA-N 448.350 5.038 30 20 IKED COc1cccc(CN(C)C(=S)Nc2ccccc2C#N)c1OCc1ccccc1F 800827497 HITSWWCZVNRGOP-UHFFFAOYSA-N 435.524 5.114 30 20 IKED CCO[C@@H](c1noc(-c2ccnc(C(F)(F)F)c2)n1)c1ccc(F)cc1C(F)(F)F 809532609 HTKWYNMJUBIUEP-CQSZACIVSA-N 435.299 5.434 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@H]3C[C@@H](O)c3ccc(F)cc3)cc2)ccn1 810281140 YCRVEVLPCUZZPU-XUZZJYLKSA-N 446.482 5.005 30 20 IKED CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N[C@H](CCCC#N)c2ccccc2)CC12CCC2 814349564 VRPAZTPVQLUTAR-LEWJYISDSA-N 440.588 5.043 30 20 IKED CC(=NOCC(=O)Nc1c(C(C)C)cccc1C(C)C)c1nc2ccccc2n1C(F)F 836977733 OOZCSAQMWKPBRO-UHFFFAOYSA-N 442.510 6.058 30 20 IKED Cc1ccc(NC(=O)Cc2noc(-c3ccc(Oc4ccccc4C#N)c(Cl)c3)n2)cc1 904251679 SAANFEIDLMVKCG-UHFFFAOYSA-N 444.878 5.544 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 911592358 RITMKJYXBRCTDB-UHFFFAOYSA-N 430.888 5.105 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1c(Cl)ccc(Cl)c1Cl 911671706 ZTEQUNQBAPMNNB-NSHDSACASA-N 432.756 5.468 30 20 IKED C=CCn1c(S)nc2cc(C(=O)N(C)[C@@H](C)c3ccc(Cl)c(Cl)c3)ccc2c1=O 914479643 HFDULXPYPAMRNR-LBPRGKRZSA-N 448.375 5.011 30 20 IKED CC(C)[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc2c(c1)OCCO2 915351786 GHJHQLAJFBDYKG-OZXSUGGESA-N 441.531 5.632 30 20 IKED N#CCOc1cccc(NC(=O)[C@@H](Oc2ccccc2Br)c2ccccc2)c1 916410106 YETNGOVUGBCMLC-NRFANRHFSA-N 437.293 5.110 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 916903621 UYKCBLTYHUASEN-UGSOOPFHSA-N 449.938 5.224 30 20 IKED N#C[C@@H](C(=O)CCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 916932114 PPOJAKGNVWRBSB-ZDUSSCGKSA-N 430.118 5.580 30 20 IKED N#C[C@H](C(=O)CCCCc1nc2ccccc2s1)C(=O)Nc1cc(Cl)cc(Cl)c1 916945575 XJOZCCUYFSVLBG-MRXNPFEDSA-N 446.359 5.663 30 20 IKED Cc1ccc(C[C@H](C#N)Sc2nnc(CSc3nc4ccccc4s3)n2C)cc1 917775048 VTWKUSLRBCEALB-MRXNPFEDSA-N 437.619 5.253 30 20 IKED Cc1cccc(C(=O)Nc2nc(C)c(SCC#N)s2)c1NC(=O)c1ccccc1F 918324377 UHCZRLZTCXTWRP-UHFFFAOYSA-N 440.525 5.019 30 20 IKED N#C[C@H](C(=O)c1sc2ccccc2c1Cl)c1nc(-c2c(F)cccc2F)cs1 920804503 SHSMBXLHWZGVSN-LLVKDONJSA-N 430.888 6.446 30 20 IKED CSc1nc(O)c(C(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1C#N 1357734818 LKVKLHDTJSMRBT-UHFFFAOYSA-N 444.343 5.207 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C(=C)Oc3ccccc3O)cc2)CCC1 1788640649 FZLJWRLGRPAWQQ-JOCHJYFZSA-N 446.547 5.187 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)COc3cccc(Cl)c3)CCC2)cc1 1791296557 ZMOXZKLTHPOZKC-UHFFFAOYSA-N 448.897 5.064 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(F)ccc1C(F)(F)F)C2 1792574047 ONUPZQFEZYYSFC-BJWYYQGGSA-N 440.481 5.089 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](CC)c2ccccc2)[C@H]1c1cccnc1 1810171413 CXCRKHIQBWKZKE-SSUZURRFSA-N 445.607 5.050 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(F)cccc2Cl)[nH]n1 1819308035 TVOXTSBQVOPMPZ-HNAYVOBHSA-N 444.938 5.277 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)c(F)c2)n[nH]1 1821038647 JFYPSGSYSRMGIG-HXUWFJFHSA-N 444.938 5.277 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc(C(C)C)cs2)CC1 1829065770 AWHARXVGEOYILF-NRFANRHFSA-N 445.673 5.492 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@]2(F)CCCC=C2F)CC1 1829069722 CCLDCAULSKLTQT-CJFMBICVSA-N 436.587 5.344 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc3ccccc3c2)nnc1-c1ccccc1 11055999 UUGVCWJCOHJGQA-GOSISDBHSA-N 428.561 5.254 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)CCC2)=C(/S)Nc1ccc(C)c(C)c1 11163618 UJRCKJSADOQSOE-UHFFFAOYSA-O 429.609 5.693 30 20 IKED C=CCN(C(=O)c1ccccc1C(F)(F)F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14724199 CKYNIGPJCRYBNH-UHFFFAOYSA-N 433.411 5.570 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OCC(=O)N(C(C)C)C(C)C 16388288 VPGINZSDGACRKJ-YRNVUSSQSA-N 445.506 5.284 30 20 IKED N#Cc1cc(NC(=O)c2cnc3ccccc3c2C(F)(F)F)ccc1OCC(F)(F)F 97404276 CKTPITBKEYNBFY-UHFFFAOYSA-N 439.315 5.319 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl 107576201 OUCBUOFANJETNC-GFCCVEGCSA-N 425.287 5.049 30 20 IKED C=CCOc1ccccc1CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 303537364 SYNPMUOVXODLFH-UHFFFAOYSA-N 431.319 5.462 30 20 IKED C[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nc2ccccc2n1C 303746828 GJANNMPFXMSNNA-HNNXBMFYSA-N 430.895 5.382 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccc(Br)cc1C(F)(F)F 327552961 BHWWJFLUPURKMG-UHFFFAOYSA-N 430.117 5.878 30 20 IKED COc1cc(C)cc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C 427861006 RGAMTICSCNRZJU-FQEVSTJZSA-N 447.922 5.198 30 20 IKED Cc1occc1C(=O)Nc1cc(NC(=O)c2sc3ccc(C#N)cc3c2C)ccc1F 428159295 BAHMREYLGCULKW-UHFFFAOYSA-N 433.464 5.627 30 20 IKED CCCc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccc(C)cc1 429113106 JQSRQPUXZTYPGO-KRWDZBQOSA-N 433.462 5.368 30 20 IKED CCCOc1ccccc1Oc1ncccc1CNC(=O)c1cccc(SCC#N)c1 430032446 CJAVURJOQBDHAJ-UHFFFAOYSA-N 433.533 5.208 30 20 IKED N#CCCC[C@H](NC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1ccccc1 432765392 BWXFBNGUYCEZSL-PMACEKPBSA-N 427.932 5.454 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC2(CCC2)[C@H]1c1ccccc1 432875120 WMIUESRZWPWLHR-AREMUKBSSA-N 437.543 6.205 30 20 IKED C=CCC[C@@H](Nc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl)c1ccccc1 434946242 HZAZITOWLLHSHJ-MRXNPFEDSA-N 434.849 5.419 30 20 IKED CN(C(=O)c1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)cc1Cl)C1CCCCC1 435063935 CPTYIECRCSCOJC-UHFFFAOYSA-N 435.955 5.287 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 436350569 VZHVBAPRDOYCBW-LAUBAEHRSA-N 425.319 5.091 30 20 IKED CC(C)NC(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 437490129 KUZDUVUVWDIUNQ-UHFFFAOYSA-N 432.455 5.272 30 20 IKED N#CCC[C@H](NC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1ccccc1 439308528 WPDZDRIFUDMTKF-QFIPXVFZSA-N 438.959 5.569 30 20 IKED N#CCC[C@@H](NC(=O)Nc1ccc(Br)cc1Br)c1ccccc1 439309107 CVXSWNLMSURMTO-OAHLLOKOSA-N 437.135 5.378 30 20 IKED COc1cc(-c2noc(CNc3cccc(OCc4cccc(C#N)c4)c3)n2)ccc1C 441396496 PCNSJBRZALGTBE-UHFFFAOYSA-N 426.476 5.116 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 444289703 NVJVDKGCMLSNSR-UHFFFAOYSA-N 429.479 5.150 30 20 IKED C=CC[C@H]1N(C(=O)Nc2ccc(Cl)cc2-c2nc(CCOC)no2)CCCC1(C)C 444915418 WOAZPMKLFKHWQD-GOSISDBHSA-N 432.952 5.178 30 20 IKED CC(=O)N[C@@H](CC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1)c1cccs1 460343564 OOBMNEKIXZMXKD-NRFANRHFSA-N 437.952 5.074 30 20 IKED C=C(C)Cn1c(-c2ccccn2)nnc1N(CCC)Cc1nnc(-c2ccccc2Cl)o1 460544843 MHFVWMKLJHHXSQ-UHFFFAOYSA-N 449.946 5.036 30 20 IKED N#Cc1cccc(-c2nnc(N3Cc4ccccc4-c4ccccc4C3)n2C[C@@H]2CCCO2)c1 461156794 IWJXSFSGLANREJ-DEOSSOPVSA-N 447.542 5.183 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c1 462918506 IKMLTTBSUFOIDC-DVECYGJZSA-N 432.907 5.654 30 20 IKED C[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)Oc1ccc(Cl)cc1 464625033 GLWQVUDYSZYWPT-QGZVFWFLSA-N 436.964 5.701 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)Nc1ncccc1OCCCC#N)C1CC1 466611128 SPMZFMYMJOKLRX-OAHLLOKOSA-N 432.446 5.540 30 20 IKED C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)Nc2ncccc2OCCCC#N)C1 466620122 ZFHBYAMUNWKFFL-CRAIPNDOSA-N 432.446 5.398 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 467830105 ZAAFAVRTZYIWLT-UHFFFAOYSA-N 432.263 5.083 30 20 IKED CCC1(CC)CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC[S@]1=O 469667909 VAYTYPOIIDNXAR-SSEXGKCCSA-N 445.972 5.159 30 20 IKED CCOC1CC(CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 474515920 OLRRQVFTHBZXQG-UHFFFAOYSA-N 427.932 5.117 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cc2cccc(F)c2o1 475364520 DBPDAYJQJJUFCP-OAHLLOKOSA-N 443.434 5.052 30 20 IKED Cc1ccc(NC(=O)[C@@H](C)SCCCOc2cccc(C#N)c2)c(Br)c1 477385024 UVYHIFSUWUVHKO-OAHLLOKOSA-N 433.371 5.159 30 20 IKED COc1ccc2ccccc2c1-c1cc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)on1 478260806 XBDXMNBLZBGDJD-UHFFFAOYSA-N 449.514 5.065 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(Sc3ccc(Cl)cc3)o2)n1 478543470 SUJQKVYAVGHELU-ZDUSSCGKSA-N 432.910 5.207 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCC(COc3ccccc3C(F)(F)F)CC2)cc1 480483672 QTXUSYNELOSNGN-UHFFFAOYSA-N 445.485 5.829 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 480808657 YANBZHLKLVEVQE-OAHLLOKOSA-N 440.469 5.021 30 20 IKED C=CCSc1ccccc1NC(=O)CN[C@@H](c1ccccc1)c1nc2ccccc2n1C 481416712 IKEGZZDOHGAWLD-VWLOTQADSA-N 442.588 5.169 30 20 IKED CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 488454089 YDOMFBXFSKVAHL-UHFFFAOYSA-N 445.544 5.062 30 20 IKED C[C@@H](Sc1nc(C(F)(F)F)ccc1C#N)C(=O)Nc1ccccc1Cc1ccccc1 488737287 RPTMANSPCKSDAL-OAHLLOKOSA-N 441.478 5.682 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1SCC(=O)Nc1ccccc1Oc1ccccc1 488779681 DJQVXQXFAROTJI-UHFFFAOYSA-N 429.423 5.495 30 20 IKED N#CC1CCN(C(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 489426887 DQPPZJWPKBRPEH-UHFFFAOYSA-N 435.427 5.141 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H]4CCC[C@H]43)s2)c(C(F)(F)F)c1 496350315 URQINDLKDXAYKS-RDTXWAMCSA-N 434.487 5.421 30 20 IKED O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(F)cc1OCCC(F)(F)F 500217571 IWBHVLSWSPIUAR-UHFFFAOYSA-N 425.300 5.237 30 20 IKED Cc1nc([C@H]2CCCCCN2C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)no1 501806845 ZXAWVFRROKPREN-HXUWFJFHSA-N 436.899 5.453 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C 503137828 OKPKHBZVQPWRCO-FPTDNZKUSA-N 447.988 5.211 30 20 IKED Cc1sc([C@H](C)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)nc1-c1ccc(Cl)cc1 503429095 NBFUKLUVRWLRTL-XMHCIUCPSA-N 447.988 5.211 30 20 IKED CC(C)(C)CN(Cc1ccccc1)C(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 505413859 IHUKWNZYDBDJJT-UHFFFAOYSA-N 445.523 5.060 30 20 IKED N#C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 505448477 AKRGCNVHBXYECK-ZDUSSCGKSA-N 433.276 5.271 30 20 IKED C[C@@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 507765971 IUQHBUASTAVYRP-MRXNPFEDSA-N 447.485 5.244 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2ccc(Cl)s2)cc1 508304126 UFMSOUVWCARGIC-UHFFFAOYSA-N 427.913 5.738 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@]4(CCc5ccccc54)C3)cc2)c1 510836186 HDGKRIJXTLLMIN-AREMUKBSSA-N 425.488 5.056 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCCC(=O)Nc1cc(Cl)ccc1Cl 512070607 QWGSVPRIIBBWBS-UHFFFAOYSA-N 447.391 5.483 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N(C)Cc1ccc(C#N)cc1 515499085 PSIRXDQKPGMWPQ-UHFFFAOYSA-N 441.915 5.245 30 20 IKED N#C[C@H](C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)c1nc2ccccc2o1 515597265 FFEJJZDJYKJLSV-GOSISDBHSA-N 430.895 5.426 30 20 IKED CCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OCC 516714050 NXYNXQWGWVXNIK-IBGZPJMESA-N 436.533 5.496 30 20 IKED Cc1sc(-c2ccco2)nc1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 519128933 HSINGVSVSXSYOT-HXUWFJFHSA-N 429.501 5.285 30 20 IKED C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1cc(Br)ccc1Cl 519401173 METUFMRFHOCPOI-LLVKDONJSA-N 445.791 5.155 30 20 IKED COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)N[C@H](C)c2ccc(C#N)cc2)CCC3)cc1 520264427 KPUSNOQZIOPTNV-VFNWGFHPSA-N 432.549 5.128 30 20 IKED CCc1nc2ccccc2n1C1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 520459999 RXEADLAAOYNIQD-UHFFFAOYSA-N 438.579 5.213 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccco3)Cc3cccs3)cc2)cc1 521366754 QZTSQIORZMAWMJ-UHFFFAOYSA-N 429.501 6.239 30 20 IKED CCOc1cc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc(OCC)c1OCC 521602615 JRUBBBFORCAPFK-INIZCTEOSA-N 437.323 5.184 30 20 IKED CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1 522521015 SKFYYCMWKNHZLN-WJOKGBTCSA-N 433.533 5.045 30 20 IKED C[C@@H](CC(=O)N[C@H](C#N)c1ccc(Br)cc1)c1ccccc1C(F)(F)F 525069791 AKXPVPNAZOQBJV-YVEFUNNKSA-N 425.248 5.343 30 20 IKED Cc1ccc(Nc2nnc(SCc3nnc(-c4cccc(C#N)c4)o3)s2)cc1Cl 525623408 BBMDQEZMMPZROZ-UHFFFAOYSA-N 440.941 5.458 30 20 IKED C[C@@H](c1ccccc1Br)N(C)C(=O)Nc1ccccc1S[C@H](C)CC#N 533567898 SGNOBOGIFBIAHG-CABCVRRESA-N 432.387 6.068 30 20 IKED COc1cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc(OC)c1OC 534876147 MPGXUNIVZWMIDU-UHFFFAOYSA-N 438.867 5.282 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 535616426 JOWWOUIHCKAVSP-OALUTQOASA-N 428.557 6.054 30 20 IKED O=C(CCc1ccncc1)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 541240632 OTZCAMTZJMLNBB-OAHLLOKOSA-N 444.297 5.472 30 20 IKED C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1cccc(N2CCCS2(=O)=O)c1 543961276 HLRHGFNULPRJIX-UXHICEINSA-N 445.588 5.177 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](C(F)(F)F)C4(CCC4)C3)cc2)cc1 549204679 PDMYYXZBWKOCMT-HXUWFJFHSA-N 429.442 5.937 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CCCOc1ccccc1C 560164299 PQMRFSYKYLVXIY-UHFFFAOYSA-N 443.547 5.687 30 20 IKED CN(CCOCc1ccc(C#N)cc1)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 565621190 SGVZSFRWXWMKPB-UHFFFAOYSA-N 445.906 5.164 30 20 IKED COc1ccc(C[C@H](C)CN(C)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 566827019 QSKIMMDOLMFKGX-SFHVURJKSA-N 430.508 5.097 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(CN[C@@H](CCCC#N)c2ccccc2)cs1 573869708 XENQLLBDTKHPKD-QFIPXVFZSA-N 438.984 6.006 30 20 IKED Cc1noc(C)c1[C@@H](C)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 588347871 QRDQUKZSDCODOK-SNVBAGLBSA-N 449.458 5.112 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)cc1 603784790 PIKALLRUQRDPGT-UHFFFAOYSA-N 436.309 5.690 30 20 IKED C[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1ccccc1C(F)(F)F 604044465 RLBAVFOXIWXIJI-INIZCTEOSA-N 439.437 5.595 30 20 IKED CC(C)C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccs1 604085724 QJXYUXBFUQVDMV-HSZRJFAPSA-N 433.577 6.302 30 20 IKED O=C(c1cnc2ccccc2c1C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 604962286 VRRKQXCEPCMMRX-UHFFFAOYSA-N 430.270 5.211 30 20 IKED Cc1csc(CCCCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)n1 608916186 NGPJASMLAUOZHD-UHFFFAOYSA-N 434.565 5.241 30 20 IKED N#CCn1c(C(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)cc2ccccc21 609216007 XMCJZPGIPGKHEO-RMKNXTFCSA-N 449.510 5.296 30 20 IKED CCn1cc(CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c2ccccc21 609378207 VJWDPPCQZCDJFY-UHFFFAOYSA-N 431.483 5.867 30 20 IKED C[C@@H](C#N)CSc1ccccc1NCc1nc(-c2cc(Br)cs2)no1 609384731 NCSBXQAPRWYZLV-NSHDSACASA-N 435.372 5.424 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 609968572 RMQDKCWETVCTTH-UHFFFAOYSA-N 438.434 5.744 30 20 IKED CN(C(=O)c1ccc(Cl)c(NC(=O)c2cc3ccccc3n2CC#N)c1)c1ccccc1 609978613 FGPDRANLMPTKGA-UHFFFAOYSA-N 442.906 5.347 30 20 IKED C[C@H]1CN(c2ccccc2NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@H](C)O1 609987697 SJYNQXIOQMSRHZ-OALUTQOASA-N 426.520 5.168 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cnc(-c2ccncc2)s1 610171533 WMMXVIRHNCGQMS-UHFFFAOYSA-N 428.492 5.371 30 20 IKED COc1ccc(C[C@H]2CCCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)C2)cc1 610321068 FLZWFMIRUFBSNS-OAQYLSRUSA-N 442.519 5.241 30 20 IKED CSc1cccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1[N+](=O)[O-] 614459602 XWVZZTXLCIWTQR-NSHDSACASA-N 437.424 5.435 30 20 IKED C=CCOc1c(Cl)cc(CNc2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1OC 630067891 JNOMFNWWAHMCKN-QGZVFWFLSA-N 428.960 5.540 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(C(C)(C)C)no2)nc2sc3c(c2c1=O)CCCC3 641846563 IYEWZUACXRPRJL-LBPRGKRZSA-N 430.599 5.057 30 20 IKED COc1cc2c(cc1F)CC[C@@H]2NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 670108210 KMDKPJKIQKQCJU-YFCNSXCBSA-N 442.375 5.030 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(C)oc(-n2cccc2)c1C#N 727995659 AHJSKWQRLBEWFH-UHFFFAOYSA-N 436.471 5.262 30 20 IKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 728083472 WXSXSDNHIVAGMD-XMSQKQJNSA-N 447.604 5.673 30 20 IKED C#Cc1cccc(N(Cc2ccco2)C(=O)CSCc2coc(-c3ccccc3)n2)c1 728182555 XNHLWSLQLOOJKG-UHFFFAOYSA-N 428.513 5.383 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1csc(-c2cccs2)n1 728427345 CDIBCDCBLNUNGR-UHFFFAOYSA-N 434.571 5.501 30 20 IKED O=C(O[C@@H](c1cc(Br)ccc1F)C(F)(F)F)c1ccc(C(F)(F)F)cn1 730403162 WTZPJEPKVIOINP-LBPRGKRZSA-N 446.116 5.462 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)/C=C\c1cnc2ccccc2n1 730993488 AGPHOQYNTBTPBX-CLFYSBASSA-N 428.439 5.306 30 20 IKED CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(O[C@@H](C)C#N)cc2)NC(=O)N1c1ccc(C)cc1C 731431484 MOPZSUJVAKQKQL-MHECFPHRSA-N 447.535 5.091 30 20 IKED Cc1cc(C)c(NC(=O)CON=C(Cc2nc3ccccc3n2C)c2ccccc2)c(C)c1 731664244 FFGDMEHCPWJGBJ-UHFFFAOYSA-N 440.547 5.101 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Cc2csc(-c3ccccc3Cl)n2)c1 733771401 VBOFRFUWDDPHBU-QGZVFWFLSA-N 425.941 5.003 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2cccc(COc3cccc(F)c3)c2)ccc1OC 733935829 OMERHFGXWYMJDD-JOCHJYFZSA-N 448.494 5.024 30 20 IKED C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cccc(COc2cccc(C#N)c2)c1 734323788 WXKGTYRCRVVHHJ-KYTVRQNUSA-N 426.516 5.128 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)Cc3ccc(NC(=O)c4cc5ccccc5o4)cc3)[nH]c12 735790427 XZICSIAJYYCLPG-HXUWFJFHSA-N 448.482 5.289 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)c1 741188755 VKBHOPGOIPTZIV-QFIPXVFZSA-N 442.519 5.250 30 20 IKED O=C(/C=C/c1ccc(N2CCOCC2)c(F)c1)c1ccc(SCC(F)(F)F)cc1 741842475 LTDTYXNSZUOVHC-KRXBUXKQSA-N 425.447 5.213 30 20 IKED Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1cnccc1C 741893482 NHTONULOOICZOG-NRFANRHFSA-N 432.505 5.225 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)cc1 742538245 VWLRWMIAJFZJQY-OAQYLSRUSA-N 444.441 5.586 30 20 IKED CC(C)(C)c1ncc(/C=C/C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)s1 742648875 FMORFLWFFIAYCY-SOFGYWHQSA-N 439.528 6.117 30 20 IKED CCc1ccccc1NC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccc(C#N)o1 743738813 NCLQVNCICVQOGV-QHCPKHFHSA-N 442.544 5.062 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)c1nc2cc(C(F)(F)F)ccc2s1 744038371 RNPIEEXCINNRPL-RRFJBIMHSA-N 444.434 5.066 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)O[C@H](C)C(=O)N1c2ccccc2Sc2ccccc21 744692043 PGDVKOTWZFNATJ-SJORKVTESA-N 444.512 5.087 30 20 IKED COc1ccc(Nc2nn(CN(Cc3ccc(C#N)cc3)CC(C)C)c(=S)s2)cc1 746055775 FKCSZCGKDOTQEQ-UHFFFAOYSA-N 439.610 5.414 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccc(NC(=O)COC)cc1)c1ccc(C(F)(F)F)cc1 750293884 FZOFWVGMRUFEDV-IBGZPJMESA-N 435.446 5.119 30 20 IKED CC(C)(C)OC(=O)N1CCc2c(NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)cccc21 753902632 PQLHDNPNPHBKDY-UHFFFAOYSA-N 432.524 5.052 30 20 IKED N#Cc1ccc2c(c1)N(C(=O)c1ccccc1SCC(=O)NC1CCCCCCC1)CC2 757514835 IFZBVPHIROWHCS-UHFFFAOYSA-N 447.604 5.082 30 20 IKED Cn1c(CSc2nc3ccccc3s2)nnc1SCc1ccc(F)c(C#N)c1 759040931 ZGNSSZWVCWMTSD-UHFFFAOYSA-N 427.555 5.020 30 20 IKED COc1ccc(/C=C2\Cc3c(F)ccc(Br)c3C2=O)cc1OCCCC#N 759092517 WILAPNNZPPVRCP-GXDHUFHOSA-N 430.273 5.102 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2c[nH]c3cc(Br)ccc23)cc1 764841987 ZZJSPUOVQWJLLR-JOCHJYFZSA-N 444.332 5.767 30 20 IKED CC(C)CCN(CCC#N)Cn1nc(-c2ccccc2F)n(Cc2ccco2)c1=S 764969989 KQSKQUPXJXHQFJ-UHFFFAOYSA-N 427.549 5.081 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 767883599 NEHOISGZHKPEBH-UGSOOPFHSA-N 432.293 5.248 30 20 IKED Cn1ncc(NC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c1C1CC1 771159150 NUTTTWWWEWYSEU-UHFFFAOYSA-N 441.413 5.624 30 20 IKED Cc1cc(Br)cc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1 773027181 HQQRHDPFQWQUII-UHFFFAOYSA-N 438.350 5.387 30 20 IKED Oc1c(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc(Cl)c2ccccc12 774588550 JRUVUIFCDBNSHM-UHFFFAOYSA-N 429.332 5.618 30 20 IKED COc1ccc([C@H](NC(=O)c2ccccc2OCC#N)c2ccc(C(F)(F)F)cc2)cc1 779452963 PJJAAJZUMXNRRQ-JOCHJYFZSA-N 440.421 5.136 30 20 IKED CC[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Cl)c(Cl)c1O 786958683 MBJYZVLINJARGU-SFHVURJKSA-N 432.351 5.845 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1 791862097 NEFYPZJFWCAGMH-UZLBHIALSA-N 431.458 6.145 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccc(C(F)(F)F)cc1 798819661 FERDPCGBFZJCJZ-SCLBCKFNSA-N 425.435 5.681 30 20 IKED N#CCc1ccccc1Cc1nc(-c2ccc(-c3csc(-c4ccncc4)n3)cc2)no1 799188155 DSJHYDROHUXKAN-UHFFFAOYSA-N 435.512 5.579 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)/C(=C/c1ccc(O)c(OC)c1)c1ccccc1 804560665 HYYURZQLLPYAFF-ZMOGYAJESA-N 445.563 5.324 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(-c2cccc3cccnc23)cc1 808332561 XBBVBYLRRHKZFR-UHFFFAOYSA-N 428.495 5.651 30 20 IKED O=C(O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1cc(O)nc2ccc(F)cc12 809326239 HUOTWPITLFALEA-INIZCTEOSA-N 433.279 5.559 30 20 IKED N#C[C@H](C(=O)Cc1c[nH]c2cccc(Cl)c12)c1nc2cc(C(F)(F)F)ccc2s1 815913319 OULYKYKFVQXPDU-GFCCVEGCSA-N 433.842 5.869 30 20 IKED COc1cc(C(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)s2)cc(OC)c1OC 912773242 COIIWDPQVZPVFS-VQHVLOKHSA-N 425.462 5.245 30 20 IKED Cc1ccc(OCc2nc(CC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cs2)cc1 915101375 AIXBOOOFKOEHKB-HXUWFJFHSA-N 445.569 5.573 30 20 IKED N#C[C@H](C(=O)c1csc(COc2ccc(F)cc2)n1)c1nc(-c2ccccc2)cs1 915101945 KYNAEVLRVYDWAQ-QGZVFWFLSA-N 435.505 5.475 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cc1 915902556 HQDWUOPANUSLOH-UHFFFAOYSA-N 433.430 5.110 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc(-c4ccncc4)nc4ccccc34)cn2)cc1 916073690 DUXQMLVIZAMMID-UHFFFAOYSA-N 443.466 5.608 30 20 IKED Cc1ccccc1-c1nnc(S)n1N=Cc1sc(Nc2ccccc2)nc1Cl 916342187 XPZZKAYKVYDYEU-UHFFFAOYSA-N 426.958 5.278 30 20 IKED N#CCOc1cccc(NC(=O)C(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)c1 916409877 LLZXKAQZHYRCQI-UHFFFAOYSA-N 443.286 5.318 30 20 IKED CC[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1OC 916493170 IGEMBCBCBGDGNO-DEOSSOPVSA-N 429.520 5.613 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(NC(=O)c3ccco3)cc2C)cc1 916956259 ZBISWNYWFLIEMK-RDTXWAMCSA-N 449.532 5.377 30 20 IKED CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cc(C)ccc2C)cc1 917612510 VPCVJTXMVHOWFL-UHFFFAOYSA-O 428.581 5.738 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCCc3nnc(-c4ccccc4)o3)n2)cc1 920138604 HDNJZOQEWQLIEG-LJQANCHMSA-N 444.516 5.068 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 921114770 YBMMVVZJCREMJH-JPYJTQIMSA-N 446.501 5.268 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)on3)CCC2)cc1 1791243748 DPCOLPBSHYOTFW-GOSISDBHSA-N 429.520 5.302 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cnc(C)s3)cc2)CCC1 1791956885 MPEXRWQDJOQKDI-BUHFOSPRSA-N 435.593 5.367 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)s2)n[nH]1 1816396354 SFQURJCVNPXEFH-MRXNPFEDSA-N 432.977 5.199 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2)CC1 1826500277 QVJSJYMBVUYBJG-XMMPIXPASA-N 443.031 5.271 30 20 IKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)CC1 1828321350 OIVRRPKSGUAVQN-LJQANCHMSA-N 431.001 5.364 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc(F)c2F)CC1 1828829965 OKWREKVPBZHFGP-UGKGYDQZSA-N 448.529 5.106 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3occc3c2)CC1 1829066647 OYCLZNRDNHXILQ-QHCPKHFHSA-N 436.596 5.659 30 20 IKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)cc1 1830723293 ZVGQUUDDYBOQTK-DEOSSOPVSA-N 449.982 5.067 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2ccccc2CC)cc1 10174279 ODTQCBAKXLTRRC-UHFFFAOYSA-O 430.018 5.865 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 20166899 TWOBEEBVNUWQEF-OAHLLOKOSA-N 446.498 5.193 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)c1 22249969 MSUSPEXJHIMGEQ-UHFFFAOYSA-N 448.592 5.690 30 20 IKED C=CCn1c(SCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)nnc1-c1cccc(C)c1 23427082 PBWLZZINXXZRFU-UHFFFAOYSA-N 447.564 5.118 30 20 IKED COCCCn1c(S[C@@H](C#N)Cc2ccc(C)cc2)nnc1-c1ccccc1Cl 29848657 UFWJSVWGMIOFCH-GOSISDBHSA-N 426.973 5.170 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(N2CCC(C)=N2)cc1 109904487 PYLZAXBTGMAPCN-UHFFFAOYSA-N 430.321 5.003 30 20 IKED CCOc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cs2)cc1 195662675 MSVSGGLFWPCJFJ-LJQANCHMSA-N 446.557 5.146 30 20 IKED C=CCn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccccc1OC 302921240 LJZKQRXOXRPYTN-UHFFFAOYSA-N 436.415 5.218 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 302950015 BYKQCCDIJYLUCE-HNNXBMFYSA-N 439.968 6.057 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2ccc(C#N)cc2Cl)ccc1OCc1ccncc1 426159388 HHXDUYNETOPWRL-HNNXBMFYSA-N 436.899 5.077 30 20 IKED CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)s1 428731915 HHFZAIODXRQWKT-IBGZPJMESA-N 442.548 5.109 30 20 IKED CC[C@H](C)Oc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 437257857 OSYSMSDLZPQTAV-KRWDZBQOSA-N 429.476 5.105 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccc(-n2cccn2)cc1 440608130 FECCYQFOEQUXPJ-KRWDZBQOSA-N 426.451 5.166 30 20 IKED C=CCC[C@H](NC(=O)NCc1nnc(C(C)(C)C)s1)c1ccc(C(F)(F)F)cc1 440864020 CYONEGHCBRDHRV-HNNXBMFYSA-N 426.508 5.361 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)cc1 442257617 NVUZHHORGQJUDP-UHFFFAOYSA-N 429.307 5.548 30 20 IKED C=C(C)Cn1c(S[C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)nnc1-c1ccncc1 443521450 NCYIIGTYWXMJMA-OAHLLOKOSA-N 437.956 6.078 30 20 IKED Fc1ccc([C@@H](NCc2nc(-c3cc(F)c(F)c(F)c3)no2)C(F)(F)F)cc1Cl 444809496 CTDWJWHXMGUOOD-OAHLLOKOSA-N 439.718 5.340 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F)c1ccccc1 445002849 ZWNDJAFJZUJMKR-LJQANCHMSA-N 431.458 5.357 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCC(=O)c1cc(Cl)sc1Cl 446050931 GRFCPRHSJMUDKV-LLVKDONJSA-N 427.378 6.051 30 20 IKED CN(Cc1ccccc1NCc1cn2ccccc2c1C#N)C(=O)c1cc2ccccc2o1 446645855 FLNNAPWAIZKJOX-UHFFFAOYSA-N 434.499 5.441 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)CCc2nc(-c3ccsc3)no2)c1 460341155 XPXYMJLIDDWVOM-UHFFFAOYSA-N 448.935 5.489 30 20 IKED N#Cc1ccc(-c2nnc(N3CCC[C@H]3c3ccc(Cl)cc3)n2C[C@@H]2CCCCO2)cc1 461868622 MRDGSTSGGAEUGT-GOTSBHOMSA-N 447.970 5.381 30 20 IKED Cc1nc(C(F)(F)F)sc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 462030368 IJXMJRHZNMBAGK-UHFFFAOYSA-N 435.402 5.312 30 20 IKED O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccccc1CCC(F)(F)F 464729127 OXXZELRIRNWVPK-UHFFFAOYSA-N 445.338 5.777 30 20 IKED CC[C@@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1nc(C(F)(F)F)cs1 465262489 RCFMAMCRVCNBSL-QGZVFWFLSA-N 430.455 5.658 30 20 IKED O=C(c1ccc(-c2ccccc2C(F)(F)F)o1)N(CCC(F)(F)F)CC(F)(F)F 468537119 QERVQQQCGTVKNI-UHFFFAOYSA-N 433.270 5.922 30 20 IKED COCCOC1CCC(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 474897718 DTUCXVJLLGLCQI-ZOGYUUGASA-N 426.944 5.156 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)C[C@@H](CC#N)c1ccccc1)C(F)(F)F 476395831 GVYXKEJSCCRBCE-XXBNENTESA-N 440.469 5.296 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 476796860 MNAFAZXONNGWBJ-UHFFFAOYSA-N 448.588 5.900 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC3(CCOCC3)c3ccccc32)c1 481447111 LFCHKQVROSADQV-UHFFFAOYSA-N 444.918 5.713 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 481930483 ZSBGAXXPUXYZFN-UHFFFAOYSA-N 429.908 5.313 30 20 IKED COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1SC 483474747 XOTWWGOUUBPETL-UHFFFAOYSA-N 435.461 5.242 30 20 IKED Cc1ccsc1-c1nnc(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)o1 488823713 MDMFVJILGFHBPD-CYBMUJFWSA-N 430.580 5.232 30 20 IKED Cc1cc(CN2CCC(c3nc(-c4ccccc4Br)no3)CC2)ccc1C#N 489006977 FLZSXYGVRLUZTN-UHFFFAOYSA-N 437.341 5.059 30 20 IKED C=CCn1c(SCCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccc(C)cc1 489660521 XFDNYNGRLSLIGI-UHFFFAOYSA-N 447.391 5.867 30 20 IKED Cc1ccccc1[C@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)C1CC1 490624825 VXCWOCYYMXSUBT-LJQANCHMSA-N 435.578 5.283 30 20 IKED N#Cc1cc(NC(=O)C(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)ccc1Oc1ccccc1 492320453 MDLHUJKOIIGIFX-RUCARUNLSA-N 445.906 5.005 30 20 IKED N#Cc1cc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)ccc1Cl 494737206 FDUNJLKKGUDLFZ-CYBMUJFWSA-N 436.726 5.009 30 20 IKED N#C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1cccc(Br)c1 496339197 KAJZBWWOLJIYQD-KRWDZBQOSA-N 446.757 5.150 30 20 IKED CCc1cccc(NC(=O)CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 498819773 WCHDUNIRFWWNKH-QFIPXVFZSA-N 446.938 5.318 30 20 IKED O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1ccc2nc(C(F)(F)F)cn2c1 500251048 MSHAERMPYQXRQG-UHFFFAOYSA-N 435.299 5.076 30 20 IKED COCCOc1ccc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 502314465 FDBFKKWWJNCZAB-UHFFFAOYSA-N 431.492 5.001 30 20 IKED Cc1sc([C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)nc1-c1ccc(Cl)cc1 503429094 NBFUKLUVRWLRTL-WHEQGISXSA-N 447.988 5.211 30 20 IKED CCC(CC)(NC(=O)CCc1c(C)nn(CCC#N)c1C)c1ccc(Cl)c(Cl)c1 504566484 SMASBWRPWHNMFK-UHFFFAOYSA-N 435.399 5.485 30 20 IKED COc1cc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)ccc1OCc1cscn1 505936728 ATNJKJMSEHFHJL-QGZVFWFLSA-N 448.331 5.032 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(OC3CCCC3)CC2)cc1Cl 506656853 WKECBDMOXGMFTQ-QHCPKHFHSA-N 437.971 5.951 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2nc3ccccc3s2)cc1 508291698 HLSKIAFKTSTUDI-UHFFFAOYSA-N 430.489 5.291 30 20 IKED C=CCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 508818111 QVHSJTYDZLMDRT-DOTOQJQBSA-N 426.952 5.065 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(Cn2ccnc2)cc1 510623983 DUTLQVIVIPIDJT-UHFFFAOYSA-N 437.503 5.226 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3nc4c(Cl)cccc4n3CC(F)(F)F)on2)c1 511556002 YNPMRMSWUJAYJH-UHFFFAOYSA-N 445.788 5.031 30 20 IKED C=CCN(C(=O)c1ccc(C(C)=O)s1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 512099870 OBEIJRODQNPPCO-UHFFFAOYSA-N 437.373 6.214 30 20 IKED N#Cc1ccc(OC2CCN(CCC(=O)Nc3ccccc3-c3ccccc3)CC2)c(F)c1 512837895 AYJVWJYHHUQYMM-UHFFFAOYSA-N 443.522 5.236 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@](CO)(c3ccccc3)C2)c1 513098440 GVPFMWUBHCBKOW-SANMLTNESA-N 446.934 5.170 30 20 IKED N#Cc1ccc(C[C@H](C#N)c2nc(CC3(SCc4ccccc4)CCCC3)no2)cc1 515251942 HCIGMWFRLSVHHL-JOCHJYFZSA-N 428.561 5.580 30 20 IKED N#Cc1c(NC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)sc2c1CCCCCC2 515447664 ZLKNXKFHLWKCLW-UHFFFAOYSA-N 445.470 5.131 30 20 IKED N#C[C@@H](NC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1cccc(Cl)c1Cl 517493291 ABRPBJMDSXIDBX-CQSZACIVSA-N 428.300 5.858 30 20 IKED Cc1ccccc1-n1ncc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1C 518871096 VBKQRWSIUZUJSL-OAHLLOKOSA-N 434.471 5.381 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)c2)cc1 519196510 FHQNMXFWIQGBTL-HSZRJFAPSA-N 441.487 5.491 30 20 IKED C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(Br)cc1Cl 519407172 ZNJKPPWUDWMNSQ-NSHDSACASA-N 445.791 5.155 30 20 IKED CCN(CC)c1nc2sc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc2s1 519481070 GHFBPGTUPBYRKS-CQSZACIVSA-N 438.603 5.818 30 20 IKED COc1cccc(/C=C(/CC(=O)N(CC#N)C2CCCC2)c2nc3ccccc3s2)c1 523146685 VWSIKKWKXSVUKO-CYVLTUHYSA-N 431.561 5.530 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCC1CCN(Cc2cccs2)CC1 524565617 BAHZXCVRVVMEEO-QGZVFWFLSA-N 428.627 5.034 30 20 IKED Cc1ccc2oc(CN(Cc3ccco3)C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)cc2c1 526595657 SUQQERQJHQUAQR-UHFFFAOYSA-N 447.878 5.027 30 20 IKED N#Cc1cc(NCCCC2(C#N)CCOCC2)ccc1Oc1ccc(C(F)(F)F)cc1 538609847 BPNOMULTVXFGSZ-UHFFFAOYSA-N 429.442 5.882 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 539179881 ITFGEGAWGQIZCK-RLWLMLJZSA-N 425.532 5.192 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cccc(OCc2cscn2)c1 540854920 KFONWDSNSOXFFV-UHFFFAOYSA-N 427.485 5.638 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 543564199 PIMGJBYXXVQEBH-BWKNWUBXSA-N 445.494 5.840 30 20 IKED CCC(C)(C)OCc1ccccc1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 544627390 FUWHLZQFPNOQNS-UHFFFAOYSA-N 448.567 5.146 30 20 IKED COC(=O)c1cc(NC(=O)c2ccccc2-c2ccccc2C#N)ccc1Br 547725472 VQNMRUBERHFYFF-UHFFFAOYSA-N 435.277 5.027 30 20 IKED CN(CCCOc1ccc(Cl)cc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 555007314 CRGSMKCNPAUENJ-UHFFFAOYSA-N 436.899 5.332 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(COC4CCCC4)cc3)CC2)c(F)c1 562201969 XMJXEENMABWLPE-UHFFFAOYSA-N 437.515 5.232 30 20 IKED COc1ccc(CNc2ccc(C(=O)N3CCC(C)CC3)cc2C)cc1OCCCC#N 571389505 OJBZNWNWGJVPCI-UHFFFAOYSA-N 435.568 5.170 30 20 IKED N#CCCn1ncc(C(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)c1-c1ccccc1 588790580 MIWLCTXOYWMGPZ-UHFFFAOYSA-N 441.510 5.104 30 20 IKED COc1cccc(Oc2ccc(NC(=O)N(C)CCOCc3ccc(C#N)cc3)cc2)c1 588994774 DCFNHYCXWZDDRH-UHFFFAOYSA-N 431.492 5.040 30 20 IKED CCOc1ccc(-c2nc(CC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)cs2)cc1 603507282 KLQATERDKSRFET-CQSZACIVSA-N 437.590 5.448 30 20 IKED CC(=O)N[C@H](CC(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C)c1ccc(C)cc1 603532918 FWHTVRGAWNMQLG-RUZDIDTESA-N 443.522 5.115 30 20 IKED CC(C)Oc1ccccc1[C@H](C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 603831638 NVWAHVNCZCQYQO-FQEVSTJZSA-N 443.547 6.002 30 20 IKED N#Cc1cccnc1Oc1ccccc1NS(=O)(=O)c1ccc2oc3ccccc3c2c1 603976838 YVCVKNGMHUNIPV-UHFFFAOYSA-N 441.468 5.446 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 604472368 UVBUCGBXUINXOZ-JOCHJYFZSA-N 441.600 5.351 30 20 IKED C=CCN(Cc1cccs1)C(=O)c1csc(-c2ccc(Br)s2)n1 606163275 PTOYAUDRELHZPR-UHFFFAOYSA-N 425.398 5.524 30 20 IKED Cc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c(OC[C@H]2CCCO2)c1 609298037 AAGHJNLRTRMECX-HXUWFJFHSA-N 446.478 5.608 30 20 IKED C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609377628 BTDGHOWJBWIDMF-LLVKDONJSA-N 430.398 5.395 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CCCCOc1ccc(Br)cc1 609407981 HISAHLCHNXCEBY-MRXNPFEDSA-N 447.398 5.889 30 20 IKED CCCCCn1nc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccc2c1=O 609428527 NXSJZALWOQKANI-KRWDZBQOSA-N 434.565 5.233 30 20 IKED COc1cc(CSCC(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1SC 609466453 HXPIQPVLVOJLNG-HNNXBMFYSA-N 432.636 5.683 30 20 IKED Cc1ccc(C2(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CCOCC2)cc1 609501286 DVRNVEZHLDNUMK-UHFFFAOYSA-N 426.516 5.654 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(C(=O)Nc4ccccn4)c3)c2)cc1 609990846 QTBZGJFODLHWNI-UHFFFAOYSA-N 433.471 5.201 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 610225586 NZKMZBRELHGMCD-UHFFFAOYSA-N 429.263 5.098 30 20 IKED COc1ccccc1OCCCNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 610334565 IHHZSUOPWRPNNJ-UHFFFAOYSA-N 435.455 5.089 30 20 IKED N#CCCn1cc(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(-c2ccccc2)n1 611263601 CQJKMYFAWQJFJD-CALCHBBNSA-N 430.396 5.026 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)C2CCCC2)nnc1-c1ccccc1 613809195 QFEQIEXTOLEIQL-QHCPKHFHSA-N 432.593 5.271 30 20 IKED C=CCn1c(C)cc(C(=O)Cc2nc(O)c3c(-c4ccc(Cl)cc4)csc3n2)c1C 614105746 MJIRTECPWDRTDQ-UHFFFAOYSA-N 437.952 5.747 30 20 IKED O=C(N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2ccc(F)cc2)CCCCC1 619903756 MMIRZHVRRBNLKL-GASCZTMLSA-N 425.388 5.617 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 642158269 QABMGYYZDJJLOB-QRTUWBSPSA-N 447.341 5.835 30 20 IKED C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 670198822 WOJQXJRKKIUYIF-LJQANCHMSA-N 431.515 5.109 30 20 IKED O=C(c1ccc(Cl)cc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 681133255 VURTWCLMCUSWIC-YUMQZZPRSA-N 427.694 5.562 30 20 IKED CC(=NNc1ccc(OC(F)F)cc1)c1ccc(OCC(=O)Nc2ccccc2C)cc1 726429809 RLFHLCBJFZIBCI-UHFFFAOYSA-N 439.462 5.450 30 20 IKED C[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)NC(=O)C1CCCCC1 727628737 XNGPAIVWYAPSFF-KDOFPFPSSA-N 429.973 5.115 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(N(C)C)c(F)c1 727648483 GYGQICITOUDBBK-UHFFFAOYSA-N 440.931 5.174 30 20 IKED Cc1ccc(CN(C(=O)NCc2ccc(OCC#N)cc2)[C@H]2CCc3ccccc32)cc1 727942179 XPXGRHUWGKLPLU-SANMLTNESA-N 425.532 5.297 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)C[C@H](c2ccccc2)C(F)(F)F)c1 728652425 JMOCWNVFDSTQSN-GHTZIAJQSA-N 446.469 5.218 30 20 IKED Cc1ccc(-n2c(SCc3ccc(OCC#N)cc3)nc3ccccc3c2=O)cc1F 729240871 SOERYNXUSXIENR-UHFFFAOYSA-N 431.492 5.028 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)CCc1ccc2ccccc2c1 731075236 XRLIKEPIIYLBBS-SFHVURJKSA-N 432.545 5.206 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2cnc(-c3ccc(C)cc3C)s2)ccc1OC 733231916 KWVZGWKZQWYBKV-SFHVURJKSA-N 435.549 5.047 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)ccc1OC 733278751 WNQPJBWKICKFKM-IBGZPJMESA-N 431.536 5.056 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)c1 733774550 HIFSDZMFZCPIOO-LJQANCHMSA-N 447.583 5.229 30 20 IKED COc1ccc(-c2nn(CN(CC#N)C3CCCC3)c(=S)n2-c2ccc(C)cc2)cc1 738256131 HWGJVWIXZZOFHF-UHFFFAOYSA-N 433.581 5.113 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F 741174319 LXNYKBSCIXKADV-UONOGXRCSA-N 425.790 5.218 30 20 IKED COc1ccccc1-c1ccc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)cc1 743283011 UEMSIJCKCHMNIW-HMAPJEAMSA-N 428.538 5.640 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCC(C(F)(F)F)CC2)c1=S 743386012 WLMHXMWGKWHAIP-UHFFFAOYSA-N 446.926 5.064 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C)c1ccccc1NC(=O)c1ccccc1 748012982 IEIHJLYVEWSUDO-KRWDZBQOSA-N 439.471 5.421 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1cc(F)c(O)c(F)c1)C(=O)c1ccccc1 749890796 BTXCXCUNOHKYDX-DEDYPNTBSA-N 435.470 5.700 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(CCCN3CCCC3)CC2)cc1 752188182 ZRPNYCPGPHVBSZ-SANMLTNESA-N 430.596 5.462 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H]2c2ccc(Cl)cc2)cc1 752225586 SFIOZXDCOPIHRK-NRFANRHFSA-N 433.895 5.991 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(CCC(F)(F)F)cc2)ccc1OC 753547799 OZFKJOLKXYMQAQ-GOSISDBHSA-N 435.446 5.193 30 20 IKED N#CCCn1cc(C(=O)COC(=O)c2cc(-c3ccccn3)ccc2Cl)c2ccccc21 754999205 OLUWWBPTQYPJDS-UHFFFAOYSA-N 443.890 5.310 30 20 IKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2nc(-c3ccccc3)cs2)cc1 755607628 CXNXAJMDHBNCHB-UHFFFAOYSA-N 435.578 5.275 30 20 IKED C#CC[C@@H](NC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 757064877 PCDGTMWQPWDZPW-JOCHJYFZSA-N 431.363 5.449 30 20 IKED C=CC[C@@H](NC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1)c1ccncc1 758781188 WJQRLUKVHUGPHL-JOCHJYFZSA-N 440.469 5.525 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cc1Cl 761274943 QYEMJDCENWTTNO-VWLOTQADSA-N 446.934 5.590 30 20 IKED CCc1cc(Br)ccc1NC(=O)NCc1ccc(OC)c(O[C@H](C#N)CC)c1 764230126 NUAHJHIEDKPAQL-KRWDZBQOSA-N 446.345 5.023 30 20 IKED C=CCn1c(-c2cccc(OC)c2)nn(CN(C)[C@@H]2CCCc3nc(C)sc32)c1=S 764990654 LSKMFWMPSCESAN-LJQANCHMSA-N 441.626 5.008 30 20 IKED COc1cccc([C@@H](C#N)NC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)c1OC 772688557 QWPSBNZBRGHODL-JOCHJYFZSA-N 443.507 5.180 30 20 IKED C#CCCCCC(=O)N(C[C@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 775611285 RARMPVMLZBKWHK-GOSISDBHSA-N 447.398 5.278 30 20 IKED C=CCSc1ccccc1C(=O)OCc1csc(N(C(C)=O)c2ccc(C)cc2)n1 777076151 NRQADLSOLKRTGE-UHFFFAOYSA-N 438.574 5.771 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 780161931 WQOYWKZDCVABCO-OAHLLOKOSA-N 432.867 5.329 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)C1(c2ccc(Br)cc2)CCCCC1 780178211 QYFPGNZSQRWZIH-INIZCTEOSA-N 427.342 5.581 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)c1 780706558 NBWXRUYYLGNVCJ-INIZCTEOSA-N 436.861 5.388 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2cccnc2)n1)c1nc(-c2c(F)cccc2F)cs1 783363431 FCOYTIZDEZGDDH-CQSZACIVSA-N 438.484 5.026 30 20 IKED CCCc1c(NC(=O)Nc2cccc(C3SCCS3)c2)cnn1-c1cccc(C#N)c1 784416517 KEQGPKPUDMTXHS-UHFFFAOYSA-N 449.605 5.819 30 20 IKED COc1ccccc1-c1ncc(/C=C/C(=O)c2cc3cc(Br)ccc3o2)cn1 792866547 OIMVJOMXUJFRHQ-SOFGYWHQSA-N 435.277 5.557 30 20 IKED C=CC[C@H](OC(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1)c1ccc(Cl)c(Cl)c1 797554049 OLWHGLUJOTZQQD-LRDDRELGSA-N 443.352 5.211 30 20 IKED Cc1ccc(-c2cc(C(=O)N3CCC(C#N)(c4ccccn4)CC3)c3ccccc3n2)c(C)c1 800116144 BHQYGEDLNAQLHJ-UHFFFAOYSA-N 446.554 5.611 30 20 IKED N#C[C@H](C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 802036423 WRLPQUXBAOCFFE-CZUORRHYSA-N 449.429 5.182 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2ccc(Oc3cccnc3)cc2)c1 806808746 MGJLJNUVBOWECU-WIYYLYMNSA-N 430.508 5.115 30 20 IKED CC(C)c1cc(C(=O)OCC(=O)N(CCC#N)c2cccc(Cl)c2)c2ccccc2n1 808915202 UBLFXPUQNVRILT-UHFFFAOYSA-N 435.911 5.115 30 20 IKED CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1ccccc1C(=O)N1CCC(C#N)CC1 813429382 FNAWKPHLOZWRNL-UZKOGDIHSA-N 442.625 5.158 30 20 IKED COC(=O)C12CCC(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)(CC1)CC2 815912871 BOEXWRWQWFVXAH-JYMLRBTQSA-N 436.455 5.005 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](C)C(=O)N1c2ccccc2Sc2ccccc21 821040250 YYRCKSXEKYCQPO-IAGOWNOFSA-N 444.512 5.087 30 20 IKED COc1ccc(NC(=O)OC(C)(C)C)c(NCc2cc(C#N)ccc2Br)c1 864004351 IYDQVECSUCTWRS-UHFFFAOYSA-N 432.318 5.288 30 20 IKED COc1ccccc1N=C1SCCN1C(=O)c1oc2ccc(CCC(C)=O)cc2c1C 873697536 CGCCGSNJXNSYJY-UHFFFAOYSA-N 436.533 5.148 30 20 IKED O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(-n2cccn2)cc1 878902565 YULPUCPNIIFHBX-ZROIWOOFSA-N 427.891 5.674 30 20 IKED Cc1ccc(NC(=O)[C@@H](Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2ccccc2)cc1 915224317 NONGHTRZVFILTQ-IZLXSDGUSA-N 431.539 6.442 30 20 IKED COc1cc(C)c(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC 915354176 WPOQGICURIGOLE-QHCPKHFHSA-N 429.520 5.332 30 20 IKED CC[C@@H](C)c1ccc(N=C2NC(=O)[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)S2)cc1 916232947 WEUBCTNGXZTFMJ-ACJLOTCBSA-N 449.498 5.467 30 20 IKED CC(C)c1ccc(SCC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 916847066 KQQRKINDJKWPGA-KRWDZBQOSA-N 437.590 5.368 30 20 IKED Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 916931174 JIUKHUALFRTRPX-WMLDXEAASA-N 433.335 5.540 30 20 IKED CCCOc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1OCCC 916937140 BOUKNIHHTJHXJE-INIZCTEOSA-N 432.879 5.018 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(COc3ccccc3C#N)o2)cc1 916951139 WWBRGBBNQINCSB-HTAPYJJXSA-N 441.487 5.205 30 20 IKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccco2)n(Cc2ccccc2)c1=S 917457250 DEPJVUIVIXPUCM-UHFFFAOYSA-N 443.576 5.464 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cccnc3SCC)cc2)CCC1)C(F)(F)F 1785780355 UQCZLINJZQTNRU-UHFFFAOYSA-N 449.498 5.060 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ncccc4-c4ccccc4)CCC3)cc2)C1 1785806825 XZLNTZGKMBGYPB-UHFFFAOYSA-N 437.543 5.463 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@@H]4c4ccccc4)CCC3)cc2)c1 1790258049 BDJUFJONWOSVOW-JWQCQUIFSA-N 435.527 5.110 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)CCCC4=O)CCC2)cc1 1791248220 WIBJHAJRQTVDTA-SFHVURJKSA-N 430.548 5.166 30 20 IKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)c(F)c(Cl)c3)CCC2)cc1 1791579386 YCERAINJSBKTOE-NSHDSACASA-N 441.355 5.199 30 20 IKED C[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1)n1cccc1 1791789761 SKGNLGGOTXDZOY-KRWDZBQOSA-N 446.938 5.022 30 20 IKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3ccc(F)cc3)cc1F)C2 1801643645 OLYQDFLRRQQZNF-ZINXYGQCSA-N 438.518 5.096 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)CCC=C)[C@@H]1c1cccnc1 1802492832 QQMMXUWRUHTHDA-FGZHOGPDSA-N 425.617 5.072 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc4nc(C)ccc4c3)CC2)C1 1804858906 WMYSAPCSLHHICX-UHFFFAOYSA-N 447.623 5.380 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2csc(C)c2C)n[nH]1 1816614565 PLJAUQMMKKQGED-XLIONFOSSA-N 426.586 5.162 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccnc3ccccc23)n[nH]1 1818443053 MPIVEMGZSMBWEZ-JPYJTQIMSA-N 443.551 5.032 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C(C)(C)C)oc2C)[nH]n1 1821921734 VIYGNFUHBNWIOS-BEFAXECRSA-N 426.561 5.127 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C(C)=C/c2ccc(C)o2)CC1 1829004989 OIXWEWHJRNFIBY-LEMPSFLLSA-N 438.612 5.379 30 20 IKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(C)CCCCC3)CC2)c1 1831798283 MXMNBPGHVMJEQG-XMMPIXPASA-N 435.612 5.070 30 20 IKED Cc1cccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(CO)c2)c1C 10168095 VXQMALOYCOKHRQ-UHFFFAOYSA-O 433.597 5.258 30 20 IKED Cc1ccccc1N/C(S)=C(\C(=O)c1ccc(C(C)C)cc1)[n+]1ccc(C(C)(C)C)cc1 11168244 PZGMDDBGZDNCKD-UHFFFAOYSA-O 445.652 6.754 30 20 IKED C=CCn1c(SCc2nc(N)c3ccccc3n2)nnc1-c1ccc(C(C)(C)C)cc1 18325003 RBXQYRWXTSKOSQ-UHFFFAOYSA-N 430.581 5.246 30 20 IKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2cccc(CO)c2)c1 20888001 ALRHBPKHNWBUAO-UHFFFAOYSA-O 447.624 5.432 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2cccc(O)c2)cc1 22693321 JQGNFPUAJIUGKG-UHFFFAOYSA-O 443.548 5.283 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cccc(Cl)c2C)cc1 22728219 KQDSDXSGLKVGOO-UHFFFAOYSA-O 445.942 5.827 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(Nc2ccccc2F)s1 23210434 ACWAQLSBXGEYIS-ZDUSSCGKSA-N 434.587 5.178 30 20 IKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 25438466 GHYADZPUMSNPTR-UHFFFAOYSA-N 436.515 5.601 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2cccc(Cl)c2)c1)c1nc(-c2c(F)cccc2F)cs1 64715414 XLRARWJQAAUZBM-OAHLLOKOSA-N 440.862 5.417 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N(CCc2ccccc2)Cc2cccnc2)c1 303632162 YWGKVXFGRXUJMQ-UHFFFAOYSA-N 447.538 5.417 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 428921351 MYOWLQZSQZHJOT-UHFFFAOYSA-N 447.498 5.688 30 20 IKED CCCn1ccnc1CCCN(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 429451088 VLNXVBHQEZVFGK-JOCHJYFZSA-N 449.986 5.698 30 20 IKED Cc1c(NC(=O)c2cccc(SCC#N)c2)cccc1C(=O)N1CCc2sccc2C1 429933878 OZZJRGRMTKEHCZ-UHFFFAOYSA-N 447.585 5.123 30 20 IKED CC(C)Cn1cc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c(C(F)F)n1 435902846 OLRHUIJZLMOHOV-CYBMUJFWSA-N 435.544 5.118 30 20 IKED COc1cccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1OC(F)F 437480772 LPDCVBHGQMMZKE-UHFFFAOYSA-N 428.366 5.352 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 437846625 YBZALRALXTZURZ-GMAHTHKFSA-N 446.595 5.777 30 20 IKED COc1ccccc1-c1ccc([C@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 438054130 XAZLWWAMCPOTAY-OALUTQOASA-N 445.588 6.639 30 20 IKED C[C@H](N[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1cc(F)c(Cl)cc1Cl 439539743 DYCOULGTTIGTIQ-QWHCGFSZSA-N 426.294 5.258 30 20 IKED CCCc1c(NC(=O)Nc2cccc(-c3nc(C)co3)c2)cnn1-c1cccc(C#N)c1 439694129 NWYQTTZTBRDEQS-UHFFFAOYSA-N 426.480 5.304 30 20 IKED Cc1ccc([C@@H]2CCCCCN2C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)o1 440970801 UTUCWKIKCUIMAV-MJGOQNOKSA-N 425.554 5.065 30 20 IKED CC[C@H]1CCCC[C@H]1N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 441773539 FOOHJRDTQMWTGH-WMLDXEAASA-N 441.519 5.077 30 20 IKED N#CCCCn1cc(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)c2ccccc21 443899923 MGFMRNGYZNNXQU-SANMLTNESA-N 433.515 5.341 30 20 IKED N#CCCN(C(=O)CN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccccc1 444740320 FVDVKYBFHXCDMX-GOSISDBHSA-N 443.391 5.235 30 20 IKED C[C@@H](NC(=O)Cc1noc(-c2ccc(Sc3ccccc3C#N)cc2)n1)c1ccccc1 445297854 MRAGSIWOQPZOQD-QGZVFWFLSA-N 440.528 5.179 30 20 IKED N#Cc1cccc(COc2ccc(N3C(=O)[C@@H]4C[C@H](C5CCCCC5)CN4C3=O)cc2F)c1 445956277 HCUBCZMQCDEFPW-REWPJTCUSA-N 447.510 5.014 30 20 IKED CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 447691336 QHCVWTDESYQPIK-UHFFFAOYSA-N 443.290 5.243 30 20 IKED C=C(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC2(CCOCC2)[C@H]1C 460393930 LFXYDEYLXVGIET-HXUWFJFHSA-N 448.567 5.089 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(c2ccc(O)cc2)CC1 460933590 GKEJUODDBNWQEZ-UHFFFAOYSA-N 427.552 5.016 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc3cc(C(F)(F)F)ccc3n2C)c1C 464084234 XAJIQSVXTPNOOG-UHFFFAOYSA-N 437.425 5.124 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1nc(O)c2cc(-c3ccccc3)sc2n1 464825872 BXQABBGNOOIHTB-SFTDATJTSA-N 426.545 5.336 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCc2nc3ccccc3n2C(F)F)cc1 464969901 BXLAXLMIACQRJI-UHFFFAOYSA-N 446.457 5.376 30 20 IKED CC[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1nc(C(F)(F)F)cs1 465201656 YPSDKDRZIMOEHR-CQSZACIVSA-N 435.427 5.087 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cc(Br)c(F)cc2F)c1 467039191 VYQOYBTVRHTGMV-UHFFFAOYSA-N 433.208 5.023 30 20 IKED C[C@H](Sc1cccc(C#N)c1)C(=O)Nc1ccc(Br)cc1Br 468655976 QGRORJIQLPAKHV-JTQLQIEISA-N 440.160 5.203 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@H](c3ccc(Br)cc3)C3CC3)ccc21 468891306 HGIAIZQRAWKWAK-QHCPKHFHSA-N 438.369 5.595 30 20 IKED Cc1ccc(COc2ccc(CNc3ccc4c(c3)CCC(=O)N4CCCC#N)cc2)cc1 469228150 SXDCYBJKZNDFDQ-UHFFFAOYSA-N 439.559 5.769 30 20 IKED CC(C)(C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(OC(F)(F)F)cc1 475937262 YFSBURYUBMIWNA-UHFFFAOYSA-N 437.302 5.206 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 476782647 VAGUXUFWOQFVAG-UHFFFAOYSA-N 438.930 6.233 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-n4cnc5ccccc54)cc3)n2)cc1 480936929 FFXOTWZACKRCMF-NRFANRHFSA-N 445.507 5.511 30 20 IKED O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccc(-c2cncnc2)cc1F 481678102 SCJUPXLYGADBEL-KRWDZBQOSA-N 443.322 5.335 30 20 IKED N#Cc1ccc(OC2CCN(Cc3ncc(-c4ccc(Br)cc4)o3)CC2)cc1 481796456 QETXSAWTUSWFHG-UHFFFAOYSA-N 438.325 5.019 30 20 IKED CCc1c(NC(=O)c2ccc(COc3ccccc3C#N)o2)cnn1-c1ccc(Cl)cc1 482709834 UDEAYFXHEGIBJR-UHFFFAOYSA-N 446.894 5.384 30 20 IKED C=CCc1cc(CNCC2(c3ccc(Cl)cc3Cl)CCOCC2)cc(OC)c1O 500135572 SXQYMNCJZZUATI-UHFFFAOYSA-N 436.379 5.274 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@H](c4nc5ccc(F)cc5o4)C3)o2)cc1 502122895 NRHCRTYSVOYQHZ-KRWDZBQOSA-N 445.450 5.030 30 20 IKED CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 505326688 PCDARZXLLDDAGN-JOCHJYFZSA-N 447.516 5.280 30 20 IKED COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1-c1ccnn1C 509902956 XROKFASYCVJLIO-IBGZPJMESA-N 428.517 5.018 30 20 IKED CCN(C[C@@H](C)C#N)C(=O)Cc1sc(Nc2ccccc2OC)nc1-c1ccccc1 509975845 ZLFHJYMYBCNSBH-KRWDZBQOSA-N 434.565 5.113 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccnc(N3CCCC3)c2)cc1Cl 510024625 UZSMQMHMCSDSEO-QFIPXVFZSA-N 445.954 5.312 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H]3CCSc4ccccc43)s2)cc1 510246461 ZAPLRLFTIYQCCC-MRXNPFEDSA-N 439.591 5.061 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCSCc1ccccc1C#N 510536915 ZGEXLHIFYMIGMA-UHFFFAOYSA-N 442.544 5.586 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 512782332 GHKVYLDCBRTERK-OAHLLOKOSA-N 439.437 6.205 30 20 IKED Cc1cc(-c2cc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)c3c(C)noc3n2)c(C)o1 513181375 QIBWVFFIVJSDIT-MRXNPFEDSA-N 440.381 5.312 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccc3ccccc3n2)cc1Cl 521071919 FJNYXZKAWFGEGL-QHCPKHFHSA-N 440.934 5.908 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)CCCc2ncc(-c3ccccc3)o2)CC1 521149073 ZCJUJUZFWFWPAQ-UHFFFAOYSA-N 429.520 5.042 30 20 IKED Cc1ccn(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cc2)n1 521733782 GBRVHXUJAUDWOG-UHFFFAOYSA-N 430.455 5.458 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1 523697156 IPHDVMQRLDWFAF-PZJWPPBQSA-N 443.469 5.197 30 20 IKED C=CCn1c(SCC(=O)Nc2cccc3c2ccn3C)nnc1-c1ccc(Cl)cc1 524389249 YICZESOVKMEJLT-UHFFFAOYSA-N 437.956 5.007 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)cc2F)c1 524461316 SFQJQLCONTUBBI-QHCPKHFHSA-N 446.478 5.086 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl 524565435 TWBLXZNGFXAXES-NWDGAFQWSA-N 426.344 6.267 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCc2c(Br)cccc21 524566665 XXGBQYVXSRNMBK-GUYCJALGSA-N 430.371 5.510 30 20 IKED N#Cc1cc(NC(=O)C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)ccc1Cl 524727688 IRAMHJZTESACLO-UHFFFAOYSA-N 446.934 5.478 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Br)ccc3OC)n2)cc1 524767196 QNJOGWOYTHCQQG-MRXNPFEDSA-N 443.322 5.080 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)Nc2cccc(OCc3ccccc3OC)c2C)cc1 536279638 IYRGKKSDVZXFTR-UHFFFAOYSA-N 445.519 5.142 30 20 IKED CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2ccccc2Oc2ccccc2C#N)c1 537569303 GYPYFQKKSPCPJT-WJOKGBTCSA-N 432.545 5.650 30 20 IKED C=CCCC[C@H](C)NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)C(F)(F)F 538338128 ZDTWTLAKVDRLHC-NSHDSACASA-N 436.812 5.049 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1 541749203 CZOLYYPRKRMWFE-VWNXMTODSA-N 446.547 5.640 30 20 IKED CCN(C(=O)c1ccc(Cl)c(C#N)c1)[C@H](c1cccnc1)c1csc2ccccc12 542552960 ZWXXREFMWILEPS-HSZRJFAPSA-N 431.948 6.073 30 20 IKED CC[C@@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1nc(C(F)(F)F)cs1 542568651 KJKHQTWULRWOBR-CHWSQXEVSA-N 442.532 5.236 30 20 IKED Cc1cc(Br)ccc1NC(=O)CCNC1CCC(C#N)(c2ccccc2)CC1 542693558 JCUYKEXGOZKWBK-UHFFFAOYSA-N 440.385 5.080 30 20 IKED CN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 543596723 UJRYRVSQBPEIAR-DHLKQENFSA-N 445.494 5.874 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NCc1ccc(CC#N)cc1 544470365 BSPFRDQWZULVSW-AWEZNQCLSA-N 426.383 5.798 30 20 IKED C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC(OCc2ccccc2OC)CC1 549644787 CUNQWLPYFARCKP-UHFFFAOYSA-N 432.568 5.024 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 549795914 PTBNRDXYLXWRIU-MRXNPFEDSA-N 448.338 5.069 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NC3CCN(c4ccc(C#N)cc4)CC3)s2)cc1 552062683 CZDBOBIPQOBBKR-QGZVFWFLSA-N 432.593 5.318 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@]1(C)OCCc2sccc21 565509174 IFOWQUXDTVDHCY-RUZDIDTESA-N 447.560 5.117 30 20 IKED N#CCCN(C(=O)c1ccc(COc2cccc(Br)c2)o1)c1ccc(F)cc1 569876980 JBMVQSXMHIQONX-UHFFFAOYSA-N 443.272 5.321 30 20 IKED COc1cc(OC)cc(C2(F)CCN(C(=O)c3cn(CCCC#N)c4ccccc34)CC2)c1 577751193 RALGRTGLQNSWDV-UHFFFAOYSA-N 449.526 5.063 30 20 IKED N#CCCCCCC(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 588147284 NTQYNTAXHJXPGS-UHFFFAOYSA-N 440.352 5.207 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)C1(c2cccc(C(F)(F)F)c2)CC1 589317217 RQEXHKWYEIVHPO-UHFFFAOYSA-N 449.366 5.793 30 20 IKED C=CCOc1ccc(C(=O)N(CC)[C@@H](c2cccnc2)c2ccc(F)c(C)c2)cc1OC 591058999 IDHLOJHSSUIKMV-RUZDIDTESA-N 434.511 5.354 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 603637474 MZBGDHWBMNWQDX-HSZRJFAPSA-N 439.540 5.724 30 20 IKED COc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1OC(F)F 603673193 ICFPZWVQRBHFKZ-GOSISDBHSA-N 442.849 5.858 30 20 IKED CN(Cc1ccc(Cl)s1)C(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCC2 603818374 FUPAZJHSUZDVJT-UHFFFAOYSA-N 443.981 5.168 30 20 IKED N#C[C@H](Cc1ccccc1)Sc1nnc(Cc2cccs2)n1CCc1ccccc1 603987155 KNVWJDVDVAOXKW-QFIPXVFZSA-N 430.602 5.400 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CN3C(=O)CSc4ccccc43)cc2Cl)cc1 604027186 MKGLRIYXLYYXNZ-UHFFFAOYSA-N 449.919 5.081 30 20 IKED COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604027332 WBSAGINOUTTYMP-UHFFFAOYSA-N 444.878 5.451 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H](C)c1cc2ccccc2o1 604420104 HWEXHQBYCJIHCU-KRWDZBQOSA-N 439.471 5.221 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OC4CCCCC4)cc3)n2)cc1 605257540 LYWRJMPYBYXJIE-JOCHJYFZSA-N 427.529 5.883 30 20 IKED C=CCCCCCN(C)C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C 606816665 FMNXZJDLSSEMTK-UHFFFAOYSA-N 448.567 5.269 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 608840964 ROTYUZVIPLDJGR-QGZVFWFLSA-N 449.942 5.603 30 20 IKED C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 608897259 VBYHQUYBTMSTBL-CQSZACIVSA-N 427.382 5.170 30 20 IKED COc1ccc([C@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2ccccc2)cc1 609054656 FWUNMCRJEHAKKW-AREMUKBSSA-N 438.483 5.258 30 20 IKED Cc1ccc(OCc2ccc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)o2)c(C)c1 609460352 BGPALJATYJTLDP-LJQANCHMSA-N 428.410 5.489 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCCO[C@@H](c3ccccc3)C2)c1 609723932 NQBYCTZVIOHLRS-XMMPIXPASA-N 432.907 5.608 30 20 IKED CSc1ccc(O[C@H](C)C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 610130178 XCWOLGMVQOFLQU-KOSHJBKYSA-N 432.545 5.136 30 20 IKED Cc1cccc(NC2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)CC2)c1 610163191 NHRUGFHNJWUZEJ-UHFFFAOYSA-N 427.508 5.162 30 20 IKED CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@H]1CCCc2c1cnn2C 610972932 SQIFACULHNDKBU-UGKGYDQZSA-N 433.943 5.270 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612805118 KRDJZFUALNFLFA-GDNZZTSVSA-N 448.860 6.009 30 20 IKED N#C[C@H](C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1ccc2ccccc2n1 613290602 IWVOHQHVHSDRCC-FQEVSTJZSA-N 425.875 5.631 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCOc2cccc(Cl)c2Cl)cc1 619342977 JDYWYLWAQAQSGC-UHFFFAOYSA-N 448.350 5.008 30 20 IKED Fc1ccccc1-c1nnc2ccc(NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)nn12 619535827 JSUNOFGVUFZILL-QWRGUYRKSA-N 447.358 5.252 30 20 IKED COc1ccc(-c2nnc(S[C@@H](C#N)c3ccc(Cl)cc3)n2C[C@H]2CCCO2)cc1 619863771 CIMKEMDGMVMYHB-UXHICEINSA-N 440.956 5.143 30 20 IKED O=C(Nc1ccccc1)C1CCN(C(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 642480264 GLEPCBATAVVZNV-UHFFFAOYSA-N 429.545 5.031 30 20 IKED C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 669803210 ZYCXCKVTXVHAKB-QFQXNSOFSA-N 441.579 5.140 30 20 IKED N#C[C@H](C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1nc2cc(F)ccc2s1 684008984 PSOYXZAMMHHKBQ-CQSZACIVSA-N 425.391 5.391 30 20 IKED N#C[C@H](C(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1nc(O)c2c3c(sc2n1)CCCC3 728764529 SBLXIMABYPPSCF-CABCVRRESA-N 445.466 5.188 30 20 IKED O=C(NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)Nc1ccc(F)cc1C(F)(F)F 729569334 NSORXLUVWQNDLO-HNNXBMFYSA-N 444.734 5.070 30 20 IKED O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)Nc1ccc(C(F)(F)C(F)(F)F)cc1 729878686 UOBMPVXGLQSDSI-CQSZACIVSA-N 442.306 5.215 30 20 IKED CC[C@H](C)Oc1ccccc1/C=C/C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 729889030 BLSNHRMTTDFXMO-IXUWUVECSA-N 447.560 5.343 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CON=C1c2ccccc2-c2ccccc21 731031337 ZZGWEGAQOSHMOS-KRWDZBQOSA-N 427.529 5.469 30 20 IKED CC(=O)C1=C(c2ccc(C)cc2)N(Cc2ccccc2)C(=O)N[C@@H]1c1csc(C2CC2)n1 731422230 YYVJUCIPUZMHAZ-HSZRJFAPSA-N 443.572 5.596 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)NCc2cccc(-c3cccc(C)c3)c2)ccc1OC 733647613 QMXJZYBNUDSSKX-XMMPIXPASA-N 443.547 5.351 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)c1 733802750 AXMJBHUZOIQHGV-QFIPXVFZSA-N 444.535 5.171 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1 734079506 RNNADHFEBHHXQV-HNNXBMFYSA-N 426.259 5.142 30 20 IKED O=C(/C=C/c1nccn1Cc1ccccc1)c1ccc(Br)cc1Br 734096522 OOSMDDGWYNCOGQ-CMDGGOBGSA-N 446.142 5.353 30 20 IKED C=CCOc1ccc(/C=C\C(=O)N[C@H](Cc2ccc(C)cc2)c2ccccn2)cc1OC 734400448 QSEIABBVNRTQPO-NNRIVUTJSA-N 428.532 5.077 30 20 IKED N#CCCn1cc(C(=O)COC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c2ccccc21 738752267 DMPWMGZIVWBGMJ-UHFFFAOYSA-N 448.482 5.210 30 20 IKED Cc1cccc2c(CC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)c[nH]c12 741430723 LSDKMBKUTACHDE-KRWDZBQOSA-N 440.355 6.326 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc(OC)c(C#N)c1)C(=O)c1ccccc1 741849705 ZVRWGGYOPFTPQX-JJIBRWJFSA-N 438.527 5.597 30 20 IKED C#CCOc1ccc(C(=O)OCc2csc(N(C(C)=O)c3c(C)cc(C)cc3C)n2)cc1 745215115 PDWXRALXCYUBKB-UHFFFAOYSA-N 448.544 5.122 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(Cc2ccccc2F)C(C)C)c1=S 746033055 LLAQQVALYNHQFO-UHFFFAOYSA-N 426.561 5.283 30 20 IKED COc1cc(C=NOCc2ccc(C(F)(F)F)cc2)ccc1OCc1c(C)noc1C 746577269 PMLGGJKTGDSQBL-UHFFFAOYSA-N 434.414 5.449 30 20 IKED C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(-c2cccs2)nn(CN2CCC(C#N)CC2)c1=S 747078797 FCWSNGTXMGEBCE-WNHJNPCNSA-N 427.643 5.333 30 20 IKED C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(F)c1 747109131 WVFPUWKLIMUPGI-LAUBAEHRSA-N 444.462 5.174 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)cc(Br)c1O 747122408 JQHJISXRORUPEQ-UQCOIBPSSA-N 443.249 5.018 30 20 IKED C=CCn1c(-c2ccc(F)cc2)nn(CN(Cc2ccccc2)C[C@H]2CCCO2)c1=S 747786172 BCDKNKBHOYCRLD-JOCHJYFZSA-N 438.572 5.045 30 20 IKED C[C@H](OC(=O)CSCc1ccc(C#N)cc1)c1ccccc1NC(=O)c1ccccc1 748020783 RJVHVHDWEPUFTL-SFHVURJKSA-N 430.529 5.348 30 20 IKED CC(C)c1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)c1ccc(N2CCOC2=O)cc1 748584067 LZLSULJTWKDFQG-OUKQBFOZSA-N 435.911 5.502 30 20 IKED CC(=O)Nc1ccc(S[C@H](C)C(=O)Oc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 748684214 WIDKIUZVVFMZQJ-MRXNPFEDSA-N 432.501 5.395 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1 749025657 KPMMFEMXGKIGLF-JOCHJYFZSA-N 425.513 5.233 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(-c3ccc(F)cc3)c(C)s2)ccc1OC 755316252 SXFYVSFXZAUWNI-LJQANCHMSA-N 438.524 5.482 30 20 IKED CC(C)c1ccc2c(c1)CCCN2C(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 757361833 JLNCSCKDGIYPNC-UHFFFAOYSA-N 443.507 5.088 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(-c3c(F)cccc3F)c2)cc1Cl 757410339 RYLDRWJTKLVFJO-INIZCTEOSA-N 440.833 5.255 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccc(F)c3cccnc23)c1 759195478 AUNJRWOPWHLHNI-UHFFFAOYSA-N 435.528 5.147 30 20 IKED Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)Nc1cc(C#N)cn1C(C)(C)C 759700780 YFBJSNLRQIEODX-QGZVFWFLSA-N 430.984 5.298 30 20 IKED C=CCn1c(-c2cccs2)nn(CN2Cc3ccc(Br)cc3C2)c1=S 764951144 OOQBESBGDZOKMM-UHFFFAOYSA-N 433.400 5.064 30 20 IKED FC(F)(F)C1CCC(C=Nn2c(S)nnc2-c2ccccc2Br)CC1 767368062 OMEBOTCUFWBBID-UHFFFAOYSA-N 433.297 5.199 30 20 IKED Cc1ccc(-c2nnc([C@H](C)OC(=O)c3cn(CCCC#N)c4ccccc34)o2)cc1C 769544500 QIRCOUOGKKATHN-SFHVURJKSA-N 428.492 5.530 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CC1(CSc2ccccc2)CC1 770837745 ALKLNDMYFGRJJD-KRWDZBQOSA-N 442.968 5.267 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CN(Cc1ccccc1)c1ccccc1 772643738 DZJBMEOFZSXNLB-VWLOTQADSA-N 439.559 5.166 30 20 IKED COc1cc(C=NOCc2cc(-c3c(OC)ccc4ccccc34)no2)ccc1OC(C)C 778023466 LTGSTUPSCVRWAN-UHFFFAOYSA-N 446.503 5.850 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)cc1 778184265 AEMYWXHHNZKDAO-UHFFFAOYSA-N 431.540 5.101 30 20 IKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)Nc3ccccc3O[C@@H](C)C#N)c2)c1 780685607 VKFJOKRFGPCTIJ-SFHVURJKSA-N 443.507 5.252 30 20 IKED C[C@H](NC(=O)c1coc(CNC(=O)OC(C)(C)C)c1)c1ccc(-c2cccc(C#N)c2)cc1 781010955 BPUHHNJZCMJNMU-KRWDZBQOSA-N 445.519 5.334 30 20 IKED CC(C)(C)Sc1ccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 784258724 VFJQBUOLVRMPAK-HSZRJFAPSA-N 443.572 5.810 30 20 IKED COc1ccc(CSCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1Cl 790299879 VUBVTRDSBBZOLS-INIZCTEOSA-N 428.966 5.582 30 20 IKED COc1ccccc1-c1ncc(/C=C2/CCc3nc(-c4ccccc4)sc3C2=O)cn1 792883602 FRTNIUHEDCZBCS-AQTBWJFISA-N 425.513 5.488 30 20 IKED CC(C)(C)Sc1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 806249034 FHTDCNXIZHDSRS-UHFFFAOYSA-N 427.545 5.663 30 20 IKED C#C[C@@H](NC(=O)Nc1ccc(Cc2nc(C(C)C)no2)cc1)c1ccc(Cl)cc1F 806532561 XGUGDNPZYYIKGT-LJQANCHMSA-N 426.879 5.072 30 20 IKED N#CCC[C@@H](NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1)c1ccccc1 806799370 PQJICINUSYOQNZ-CYBMUJFWSA-N 427.224 5.029 30 20 IKED COc1cc(NC(=O)N[C@H](CCCC#N)c2ccccc2)ccc1NC(=O)OC(C)(C)C 814601788 VGVIXZCECPJPOA-LJQANCHMSA-N 438.528 5.599 30 20 IKED C=CCC(F)(F)C(=O)NC[C@@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12 814824257 OLTPSNPFMHQWMC-SFHVURJKSA-N 428.479 5.035 30 20 IKED C[C@H](Cc1cnc2ccccc2n1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 815912850 AYPRWDHEFYGJHC-IUODEOHRSA-N 440.450 5.313 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cn3c4ccccc4c(=O)c4ccccc43)n2)cc1 915100376 PEHNBIZABVLXCF-OAQYLSRUSA-N 449.535 5.463 30 20 IKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915101637 JFZJBSGVMKEECN-UNMCSNQZSA-N 447.947 5.604 30 20 IKED C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915103701 CAGQOCLRUQDWLD-BLLLJJGKSA-N 441.434 5.007 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 916915941 LHOORKZGQLECQL-JOCHJYFZSA-N 448.526 5.391 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NN[C@H](C)c2ccc(C(C)C)cc2)cs1 917553086 XACUGKXZPWTREK-MRXNPFEDSA-N 441.000 6.289 30 20 IKED N#C[C@@H](C(=O)C1(c2cccc(Cl)c2)CCOCC1)c1nc2ccccc2n1C(F)F 920113294 URBADSVJCPOVHI-INIZCTEOSA-N 429.854 5.009 30 20 IKED C=CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OC 920138824 KPKUKECOWVWCTN-KKSMZRNKSA-N 446.528 5.282 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3cc(F)ccn3)CCC2)cc1 1789452854 BFLWPWIIDZTHLF-HSZRJFAPSA-N 435.543 5.056 30 20 IKED CC(C)c1ccc(C(=O)Nc2ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc2)cc1 1790314323 IPUWWHNNVLYCPH-OGLMXYFKSA-N 443.547 5.270 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 1797777660 YRZUZXQYLFKOAY-PVIWCNJMSA-N 429.004 5.074 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ncccc23)n[nH]1 1818470624 POIQBAUGUBFUIR-QHCPKHFHSA-N 443.551 5.032 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3sccc3s2)n[nH]1 1819029078 GRKBGIVRQCSAAB-ZFWWWQNUSA-N 428.583 5.204 30 20 IKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2C)CC1 1823915655 IOWXIMNJKSFDCZ-QHCPKHFHSA-N 429.004 5.075 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ccoc23)CC1 1824142919 AABLLEFXPJHKAV-DEOSSOPVSA-N 434.580 5.435 30 20 IKED C[C@@H]1CCC[C@H]1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1828482221 GUJANVGEEPNUHT-JRFVFWCSSA-N 444.736 5.093 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCc2cccnc2)CC1 1829070392 IAVNRGLNDYSZKW-XMMPIXPASA-N 439.644 5.016 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)ccc2F)CC1 1830555125 QXTLDSZEAASESM-QPPBQGQZSA-N 426.576 5.136 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccoc23)CC1 1830990401 QRAJCYIBCGUSKK-ISKFKSNPSA-N 434.580 5.435 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 1831374609 GFJLIXSBPWWZDZ-UWJYYQICSA-N 436.518 5.151 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@]3(C)CC=CCC3)CC2)c1 1832635938 ZIRYXFMVEDUJCV-AHCMPFEKSA-N 447.623 5.293 30 20 IKED C=CCn1c(SCc2ncc(-c3ccc(Cl)cc3)o2)nnc1-c1ccc(F)cc1 10498363 TYYQZJABPXZMKD-UHFFFAOYSA-N 426.904 5.871 30 20 IKED C=CCn1c(SCc2nc(-c3cccs3)oc2C)nc2sc(C)c(C)c2c1=O 11175487 PAYLOCGRISDIHH-UHFFFAOYSA-N 429.592 5.578 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2cccc(OC)c2)cc1 11260161 IYTSKKAKHYHKHX-UHFFFAOYSA-O 447.624 5.894 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1ccccc1OC 17709146 NVTZSNNGLKAWHV-MRXNPFEDSA-N 433.537 5.351 30 20 IKED COc1cccc(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccc(C(C)(C)C)cc2)c1 22728454 AGYVCHSKACQPAK-UHFFFAOYSA-O 439.626 5.701 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 23604954 CDRCLVOLRYSYDY-UHFFFAOYSA-O 444.983 5.715 30 20 IKED CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N 26142606 JTJCUHUCBWTFNF-LBPRGKRZSA-N 447.438 5.349 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccco1 29548062 BOYCOXGFKPNWOQ-FQEVSTJZSA-N 434.496 5.335 30 20 IKED Cc1c(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)sc2nc(C(F)(F)F)ccc12 29786211 NEBJEOIHAUSTJK-UHFFFAOYSA-N 442.384 5.424 30 20 IKED C=CCN(Cc1cccs1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 61212223 BESRBKQHUARREC-UHFFFAOYSA-N 446.981 5.031 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 63390344 RHUHTRJSGYOEIH-UHFFFAOYSA-N 425.492 5.422 30 20 IKED C=CCN(C(=O)CCc1cc(F)ccc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 64681466 MOTZBSKBRVNYMY-UHFFFAOYSA-N 429.448 5.148 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 108598021 UNNKHSSYYKDYSK-VWLOTQADSA-N 425.488 5.051 30 20 IKED COc1ccc(CN[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)cc1OCCCC#N 237548795 YJURKJVXNZLNAO-NDEPHWFRSA-N 442.559 5.582 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 302808564 IFDAOIXXASDWMM-UHFFFAOYSA-N 429.951 5.273 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@@H]1c1ccc(F)cc1F 432026127 MHHPKVVVMOCNER-IIBYNOLFSA-N 429.536 5.525 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 433169936 ZBVJQXOISOXCOG-HSZRJFAPSA-N 430.464 5.944 30 20 IKED O=C(c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 434038619 VFLKRWWECLAXKZ-UGSOOPFHSA-N 449.366 5.287 30 20 IKED CC(C)Oc1ccc(NC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1C#N 435564024 OBJMTTFVWXEFBA-UHFFFAOYSA-N 425.916 5.126 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NCc2cn(-c3ccccc3)nc2-c2cccnc2)cc1 437262217 YXUOZTQVRMDOFP-UHFFFAOYSA-N 449.558 5.361 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1 437948866 CUMMWVAPXLVEKL-GOSISDBHSA-N 431.561 5.700 30 20 IKED O=C(NCCCC(F)(F)F)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 438149630 CLZQPJYEKUHELH-UHFFFAOYSA-N 425.304 5.496 30 20 IKED C=CCOc1cccc(NC(=O)C(=O)Nc2cccc(Oc3ccnc4ccccc34)c2)c1 438656764 PKCXLXUZGIQSCY-UHFFFAOYSA-N 439.471 5.169 30 20 IKED CN(Cc1ccccc1N1CCCC1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438666368 ULJXNGAQCARQDC-UHFFFAOYSA-N 444.510 5.754 30 20 IKED CCCc1c(NC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cnn1-c1cccc(C#N)c1 438912379 OUYCJIWFAFWXRZ-UHFFFAOYSA-N 439.523 5.143 30 20 IKED N#CCC[C@H](NC(=O)Nc1cc(Br)ccc1Br)c1ccccc1 439307443 WKFXYBSDBRAMKM-HNNXBMFYSA-N 437.135 5.378 30 20 IKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 439325327 ZGUPJFMUMTUSFA-UHFFFAOYSA-N 445.494 5.092 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)c1 439352630 PQNKBJVMVSFYGG-UHFFFAOYSA-N 437.883 5.059 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(C#N)cc1OC(F)F 439546055 UYSHIUDFDSHNDF-CQSZACIVSA-N 447.532 5.426 30 20 IKED C=CCn1c(SCc2csc(CCc3ccccc3)n2)nnc1-c1ccccc1OC 440202591 ZVESFZNGNRKUMC-UHFFFAOYSA-N 448.617 5.674 30 20 IKED CC(C)C(=O)N(C)Cc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 442667783 AKUXASULRJYGPF-KRWDZBQOSA-N 425.941 5.054 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H](Oc2ccccc2Cl)C1 443643654 SFZFRCBIIOEOMD-MSOLQXFVSA-N 444.000 5.216 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cc2)cc1 445173065 MRFHYODDOUCZMJ-UHFFFAOYSA-N 431.451 5.598 30 20 IKED Cc1ccc(C)c(-c2csc(NC(=O)Cc3noc(/C=C/c4cccc(C#N)c4)n3)n2)c1 445417179 KQXCLOROZZKOBZ-CMDGGOBGSA-N 441.516 5.033 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cncc(C(F)(F)F)c1 460862571 KCLUUTCAVOPFDN-UHFFFAOYSA-N 440.878 5.403 30 20 IKED C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1nc2ccccc2s1 460924355 FXABOQZNUYUXQA-FQEVSTJZSA-N 426.549 5.344 30 20 IKED Cc1noc(C)c1CCC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 464302244 NYSXEIZZDOYVLD-UHFFFAOYSA-N 429.398 5.546 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCO[C@@H]2c2ccccc2)cc1Cl 466040016 PSLCSFUIOMAZPH-QUURXOELSA-N 445.950 5.895 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)c1 466313480 XGVVODUNBOTYFE-XMMPIXPASA-N 432.907 5.004 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nc(-c2cccc(F)c2)no1 466465823 PZWKLSFXSAVVOF-OAHLLOKOSA-N 443.438 5.422 30 20 IKED Cc1nc(-c2ccccc2F)sc1[C@@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469165086 YKQJFLHQFXNSEA-MRXNPFEDSA-N 448.567 6.014 30 20 IKED Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1 470254014 GZUNTTDFWPLTTR-FTJBHMTQSA-N 426.516 5.096 30 20 IKED COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 470374532 JEZVZLOAICATEC-OAHLLOKOSA-N 437.883 5.065 30 20 IKED Cc1ccc(C#N)cc1NC(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 473325941 MFYKTQULVUCOBD-UHFFFAOYSA-N 426.398 5.395 30 20 IKED CCc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccc(Cl)cc1 473487437 JYPQXNZZOZWDLH-OAHLLOKOSA-N 439.853 5.323 30 20 IKED O=C(CCC(=O)c1ccc(F)cc1)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 474263275 CIMTVXWHSOGZSD-INIZCTEOSA-N 435.339 5.617 30 20 IKED O=C(c1ccccc1C(F)(F)F)N1CCC(NCc2cc(C(F)(F)F)ccc2F)CC1 479418774 KMKXJQMSWNYNRG-UHFFFAOYSA-N 448.382 5.258 30 20 IKED C=C(C)[C@H](NC(=O)Nc1ccc(CS(=O)(=O)C(C)(C)C)cc1)c1ccc(F)c(F)c1 480601247 OMWZYJYVPNMQIU-FQEVSTJZSA-N 436.524 5.117 30 20 IKED C[C@@H](N[C@H](CC(F)(F)F)c1ccccc1)c1ccc(OC(F)F)cc1OC(F)F 480906151 HLQWMQAAMBKCTM-IAQYHMDHSA-N 425.344 6.234 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCO[C@@H](c4cccc(F)c4)C3)cc2F)c1 481681863 CYNGPIWALFWJSS-XMMPIXPASA-N 449.457 5.021 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1 484436651 KKNZOQBREDAWFJ-GOSISDBHSA-N 438.499 5.552 30 20 IKED O=C(CCOCC(F)(F)C(F)(F)F)Nc1cc(C(F)(F)F)ccc1Br 484798124 OAIIBAKEOZRRHU-UHFFFAOYSA-N 444.116 5.011 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)Nc3ccc(Cl)c(F)c3)cc2Cl)cc1 485875540 RJEFGVKKVAVSIO-UHFFFAOYSA-N 444.249 5.374 30 20 IKED COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 486586555 PGKMORSFVOOWJX-FQEVSTJZSA-N 440.956 5.110 30 20 IKED Fc1ccc(-n2ccc(CN[C@@H](c3ccc(OC(F)F)cc3)C(F)(F)F)n2)c(F)c1 487918049 OFGCAIXFKYCVPO-KRWDZBQOSA-N 433.327 5.145 30 20 IKED C=C(C)Cn1c(SCc2nc3cc(C(F)(F)F)ccc3o2)nnc1-c1ccncc1 489399733 UTTNGZPJRSHONO-UHFFFAOYSA-N 431.443 5.369 30 20 IKED CCCC(=O)Nc1ccc(Cl)c(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c1 490174781 VMWIXDADLWZMQT-UHFFFAOYSA-N 430.961 5.001 30 20 IKED C[C@H](CCCC(F)(F)F)NC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 494806892 FVSSUAMKGWTYCS-MFKMUULPSA-N 438.334 6.119 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1 495504543 VAERZUQEVHYKNS-HNNXBMFYSA-N 441.528 5.056 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cccc(Oc3ccncc3)c2)cc1 496150207 SGSZDVKVKYDYDK-UHFFFAOYSA-N 437.474 5.727 30 20 IKED N#Cc1cc(C(=O)Nc2ccc(SCc3ccccc3Cl)cn2)cnc1C(F)(F)F 499782855 FNFDYCVCUHOWDO-UHFFFAOYSA-N 448.857 5.565 30 20 IKED COc1cccc(/C=C(/CC(=O)Nc2ccc(CC#N)cc2)c2nc3ccccc3s2)c1 500389102 YZANRYAYMXOHRK-HKWRFOASSA-N 439.540 5.940 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(OC(F)F)cc1 502666429 VSYMGGSZEHXOPV-UHFFFAOYSA-N 429.236 5.410 30 20 IKED N#C[C@@H](NC(=O)c1c(F)cccc1Br)c1ccc(OCc2ccccc2)cc1 505315475 ZKBQOAVGAIBPGY-HXUWFJFHSA-N 439.284 5.162 30 20 IKED C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(c2nc3ccccc3s2)CC1 508823153 BVCILVVSWGQQIV-NRFANRHFSA-N 443.576 5.134 30 20 IKED C=CCn1c(Cc2cccc3ccccc23)nnc1N(C)Cc1csc([C@@H](C)OCC)n1 508874512 QWKWVUQCRDHHGC-GOSISDBHSA-N 447.608 5.399 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 513152037 AXOKLEFFYOTBQU-QKKBWIMNSA-N 446.498 5.394 30 20 IKED C=CCOc1ccc(CNC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1OC 513627188 MGCSFYDWOUCBNW-UHFFFAOYSA-N 434.502 5.033 30 20 IKED Fc1ccc(C(F)(F)F)cc1CNCc1cccc(-c2nc(CC(F)(F)F)no2)c1 517060032 BKODJQQDSYTDDK-UHFFFAOYSA-N 433.327 5.289 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1csc(Br)c1 517462055 ZSNCINBRECVTTE-UHFFFAOYSA-N 435.290 5.787 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccc(N2CCc3ccccc32)cc1 517535073 ZVGNUOHMYFRFIR-LJQANCHMSA-N 442.588 5.826 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](Sc2ccccc2F)c2ccccc2)cc1 517987090 VHSKQKNNCALTMY-QFIPXVFZSA-N 435.524 5.605 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(Br)c(F)c1 520682458 PBVPULGNTRRQNE-UHFFFAOYSA-N 426.245 5.208 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Br)cn1 520835332 JSLHWIHOSHRVHM-UHFFFAOYSA-N 430.249 5.121 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl 520939227 NUZZYQGBFBOGAT-JKSUJKDBSA-N 431.964 6.112 30 20 IKED Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)Nc2cccc(C#N)c2)C3)cc1 520971124 ABZMFEFQMHMPOH-UHFFFAOYSA-N 425.492 5.101 30 20 IKED Cc1cccc(COc2cccc(NC(=O)N3CCCN(c4ccccc4C#N)CC3)c2)c1 523613779 MDNMXCOFMKEEGX-UHFFFAOYSA-N 440.547 5.190 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCSC[C@@H]2c2ccccc2)cc1Cl 523768700 ZFJSJDZNKSINCF-ISKFKSNPSA-N 447.991 6.317 30 20 IKED Cc1nc(SCC(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)c(C#N)c(C)c1C 524421310 NOEBTNYYUYGALP-LJQANCHMSA-N 430.577 5.782 30 20 IKED CN(C)C(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 524810175 PIYZMAZOSXGQOB-XVPJOVGPSA-N 448.592 5.194 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)Nc3cccc(CSC4CCCCC4)c3)CC2)o1 526004408 RGOCTDCYGFSBGP-UHFFFAOYSA-N 438.597 5.276 30 20 IKED C=CCN(C(=O)C1C[C@H](C)O[C@@H](C)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 537711044 RYMHEPHNQNJNOX-STQMWFEESA-N 425.381 5.840 30 20 IKED C[C@H](NC(=O)NCc1ccc(Cn2ccnc2)cc1)c1ccc(-c2cccc(C#N)c2)cc1 542980014 MVVAIHVPUOONTO-FQEVSTJZSA-N 435.531 5.030 30 20 IKED N#Cc1ccccc1OCc1ccc(-c2nc(Cc3coc(-c4ccc(F)cc4)n3)no2)o1 545005580 SIAVPWQVSVLIRB-UHFFFAOYSA-N 442.406 5.165 30 20 IKED Cc1ccccc1C(NC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccccc1C 545509381 UZMFYKNKZJBKHG-UHFFFAOYSA-N 425.532 5.190 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 549728713 ZHLHEBKEDNXSOW-WMZHIEFXSA-N 425.536 5.036 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(C2CC2)C2(C#N)CCC2)c(OC)c1 556434530 VVCYBRLDYZLGBB-UHFFFAOYSA-N 443.547 5.222 30 20 IKED CSc1ccccc1CN(C)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 557665746 VACXDLAQNFIXJN-UHFFFAOYSA-N 428.001 5.199 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(OCC2CCCC2)CC1 561004136 RDFUNRHRGUZISS-UHFFFAOYSA-N 433.600 5.102 30 20 IKED CC(C)(CCC#N)CNC(=O)c1cccnc1SCc1cccc(Br)c1 565623625 NDOYGSBYXZHOPF-UHFFFAOYSA-N 432.387 5.196 30 20 IKED COC(=O)c1cccc(CSc2nc(-c3ccc(C)o3)cc(C(F)(F)F)c2C#N)n1 567067392 LMQHRFBAHMBCSX-UHFFFAOYSA-N 433.411 5.014 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 569016081 SCRKQSZVCNNADT-UHFFFAOYSA-N 428.536 5.541 30 20 IKED CCCOc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)cs2)cc1 592973284 BUJJVOQJGAHOOF-MRXNPFEDSA-N 437.521 5.838 30 20 IKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccccc3Oc3ccccc3)CC2)cc1 603645601 IQRWITDXSAIYQO-UHFFFAOYSA-N 426.520 5.090 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603765315 VNPIEKQCXBXJBF-UHFFFAOYSA-N 430.464 5.569 30 20 IKED N#Cc1cccnc1Oc1ccccc1NS(=O)(=O)c1ccccc1-c1ccccc1 603976719 RHGTYEGXTKSVSL-UHFFFAOYSA-N 427.485 5.213 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C 604360723 PKUOBNWQBRZWQL-DEOSSOPVSA-N 439.519 6.054 30 20 IKED N#Cc1ccc(Oc2ccc(NCc3nc(O)c4ccc(C(F)(F)F)cc4n3)cc2)cc1 604459764 KOIRHNRDWUHCTK-UHFFFAOYSA-N 436.393 5.630 30 20 IKED Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604459815 RDNVOZFQVPDJEP-UHFFFAOYSA-N 441.535 5.055 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 604859740 AUYVRJAAQPAERB-UHFFFAOYSA-N 444.918 5.739 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H](C)N(C)c1ccccc1 609079121 JXESVFSYIYXHNM-FQEVSTJZSA-N 428.536 5.092 30 20 IKED CCC(CC)(C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(Cl)c(Cl)c1 609141178 XGLYVWJPGFCZDA-UHFFFAOYSA-N 445.394 5.103 30 20 IKED CC(C)c1nc(C(=O)Nc2ccccc2SCCC#N)nn1-c1ccccc1Cl 609376028 YJLZNZLNXPIBPM-UHFFFAOYSA-N 425.945 5.302 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CNC(C)(C)c1ccc(Br)cc1 609385242 IKTXECYERYROTL-OAHLLOKOSA-N 446.414 5.164 30 20 IKED CCN(Cc1ccccc1)C(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 609387378 ZHGJQBYRDCDFML-INIZCTEOSA-N 435.515 5.560 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)c1 609723665 RUOFYZDNNWGCLR-UHFFFAOYSA-N 442.906 5.179 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(CCCO)[C@@H]3CCCc4ccccc43)cn2)cc1 610661005 XTHNFUDQAOXKNK-XMMPIXPASA-N 442.519 5.039 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 618783642 IDZFMQQZYPKRJQ-XOBRGWDASA-N 437.952 5.292 30 20 IKED CC(C)CN(Cc1ccccc1F)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 622093132 ZIBVCWUOBXWKOO-HUUCEWRRSA-N 442.419 5.903 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 642158271 QABMGYYZDJJLOB-VYDRJRHOSA-N 447.341 5.835 30 20 IKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cc(-c3ccccc3)nc21 642282321 CWDBOZKKTVDILW-SFHVURJKSA-N 449.436 5.583 30 20 IKED CCCCOc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1OCC 642282591 ISSRCDQECDIVJI-MRXNPFEDSA-N 427.451 5.499 30 20 IKED CC(F)(F)CCC(=O)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 643137635 OCPJLPITZJHUMW-UHFFFAOYSA-N 446.363 6.145 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 670199609 VKRFCAVYMHWGMW-HSZRJFAPSA-N 441.579 5.436 30 20 IKED O=C(Nc1ccccc1OCC(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 675570807 WLTRDWDFBNRVSL-URLYPYJESA-N 434.327 5.362 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCCN(C)C(=O)OC(C)(C)C 728028317 FQZRDHDAZRXDCU-UHFFFAOYSA-N 437.540 5.031 30 20 IKED Cc1cc(=O)oc2cc(OC(=O)c3ccc(COc4ccc(C#N)cc4)o3)c(Cl)cc12 728147296 DSTGOFZZWLJKDC-UHFFFAOYSA-N 435.819 5.018 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(c2cccc(Cl)c2)CCC1 731066196 LNAIGYHJKCZKCG-MRXNPFEDSA-N 442.968 5.338 30 20 IKED CC1CCN(c2ccc(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2)CC1 731107527 BVOVHEHULTUVJR-MHZLTWQESA-N 438.575 5.900 30 20 IKED CC(=NNc1ccc(Br)cc1C(F)(F)F)c1ccc2c(c1)CCC(=O)N2 731487460 WKPVUWOMJGQZRW-UHFFFAOYSA-N 426.236 5.189 30 20 IKED C[C@@H]1CN(c2ccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)cc2)C[C@@H](C)O1 731980859 HRWWPAQKJHXCMN-WOJBJXKFSA-N 441.531 5.411 30 20 IKED C#CCN(C(=S)Nc1cccc(C(C)C)c1)[C@@H]1CCOc2ccc(Br)cc21 733087879 YXHXSBUGKYASJV-HXUWFJFHSA-N 443.410 5.728 30 20 IKED Cc1cc(C)c(NC(=O)COC(=O)c2cccc(COc3cccc(C#N)c3)c2)c(Cl)c1 734591973 ACLLCZICUZVNFG-UHFFFAOYSA-N 448.906 5.203 30 20 IKED N#C[C@@H](C(=O)C1(c2cccc(F)c2)CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 734706358 FCZNZENFTUWKCM-INIZCTEOSA-N 431.319 6.164 30 20 IKED Cc1ncc2c(n1)CCC[C@H]2NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 734929554 SVHNDVKDLGRFDE-WMZHIEFXSA-N 431.927 5.293 30 20 IKED CN(C)C(=O)c1cccc(COC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 735165831 RKJAVAJPYLIZAZ-UHFFFAOYSA-N 434.879 5.063 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCCCC[C@@H]2c2ccc(C)o2)ccc1OC 739024781 RYWKWLZIGIVEKJ-VQTJNVASSA-N 425.529 5.105 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccoc2)n1)c1nc(-c2c(F)cccc2F)cs1 739159885 IMPPVZMLYROQHV-CYBMUJFWSA-N 427.457 5.224 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1/C=C\C(=O)c1cnn(-c2ccc(C#N)cc2)c1C 741843604 IIGURKUCIJCZCY-SEYXRHQNSA-N 441.922 5.155 30 20 IKED COc1cc(C(=O)/C=C/c2cc3c(cc2OC(F)F)OCO3)ccc1SC(F)F 741845097 VUAMNTBRESUFEH-DUXPYHPUSA-N 430.375 5.236 30 20 IKED O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccncc1)c1c(Cl)nc2sccn12 741845545 XWKIRXORPKYJLW-SREVYHEPSA-N 431.908 5.193 30 20 IKED CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2ccc(C#N)o2)NC(=S)N1c1cccc(C)c1 743738803 FHXDDNGPTVMULO-HSZRJFAPSA-N 442.544 5.117 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cn(-c3ccc(Cl)cc3)nc2C)cc1 744034109 ZZSBJXIZFJQLKW-QVKFZJNVSA-N 434.927 5.309 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C(\C)c3ccccc3C(F)(F)F)n2)cc1 744060973 DEHBLMDKQYHWMS-GPZRYRNASA-N 442.462 6.117 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cccc(Br)c2)c1 744762160 XELBJDLJVQBDDJ-UHFFFAOYSA-N 445.386 5.222 30 20 IKED COc1ccc(CNCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1C#N 746743139 WALYPUUIIXAFSO-UHFFFAOYSA-N 440.330 5.416 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=S)NCc2ccc(Br)cc2)cc1 747647358 QTUOEEWDDGIDDW-NRFANRHFSA-N 436.378 5.591 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnc(-c3ccccc3Cl)s2)cc1 748003792 KKOUWURDIIYIBW-KSSFIOAISA-N 437.952 5.938 30 20 IKED CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 755754859 BUZMACQGUBQFDS-TWJOJJKGSA-N 443.522 5.865 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)OCC2CCC(C#N)CC2)c(OC)c1 755963502 GISQDXDWICTRNJ-UHFFFAOYSA-N 446.547 5.658 30 20 IKED N#C[C@H](C(=O)CCn1ccc2cc(Cl)ccc21)C(=O)Nc1ccc(Cl)cc1Cl 759214626 ZQBBPRJEETUXTA-OAHLLOKOSA-N 434.710 5.339 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)c1 762763934 QYVNZZYUJSPQFM-CWKRKGSWSA-N 427.589 5.025 30 20 IKED Cc1nc([C@@H](C)OC(=O)CSCc2ccc(C#N)cc2)oc1-c1ccc(Cl)cc1 763935166 RJVLTXXSKVFSQF-OAHLLOKOSA-N 426.925 5.713 30 20 IKED Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CNCc1ccc(OCC#N)cc1 766465917 UKFHFDFLRLILPC-UHFFFAOYSA-N 442.494 5.304 30 20 IKED CC(=NOCc1ccc2ncccc2c1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 769824005 FOSMGHRZDSSNFG-UHFFFAOYSA-N 425.414 5.084 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@H]2c3cc(Br)ccc3SC[C@H]2C)c1 775406977 BEWIUIMXCWLGCQ-SOIKWTOOSA-N 431.399 5.703 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1ccccc1O[C@H](C)C#N 780162274 PMOQVLGBJJNNHM-CYBMUJFWSA-N 429.307 5.090 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(SC(F)F)cc1 781577823 CIEQZYMHBHCWHV-UHFFFAOYSA-N 427.501 5.630 30 20 IKED O=C1/C(=C/c2ncc(C(F)(F)F)s2)CSC/C1=C/c1ncc(C(F)(F)F)s1 788348522 FVWPWWMBTYRLRC-JOTJMYPPSA-N 442.431 5.420 30 20 IKED Cn1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(-c2ccc(Cl)s2)n1 789621283 PCTNCGBSASMIRQ-GOSISDBHSA-N 432.936 5.710 30 20 IKED CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)[C@H](C#N)c1cnc2ccccc2n1)OCC3 792110079 KODOZWKKXCSBGY-NFQMXDRXSA-N 438.531 5.118 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(COC(=O)C[C@@H](CC#N)c2ccccc2)cs1 795981664 DQWSRUGCQDQWBL-GOSISDBHSA-N 437.496 5.098 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)c2c1N(C(=O)c1ccc(C(C)(C)C#N)cc1)CCC2 796931391 RIZJXDHQRFLASH-UHFFFAOYSA-N 433.552 5.736 30 20 IKED CC(C)(C)n1cc(C(=O)OCCCC2(C#N)CCOCC2)c(-c2ccccc2Cl)n1 800166044 YYVKRQFMRSJPBX-UHFFFAOYSA-N 429.948 5.216 30 20 IKED C=CCn1c(Cc2ccccc2)nn(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1=S 800864808 RNQQJXQRRSXUSS-SFHVURJKSA-N 436.547 5.203 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)OC3(CC#N)CCC3)cs2)cc1 810856835 GZFCHKARSNLXQY-UHFFFAOYSA-N 427.526 5.074 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(OC(F)F)c(Cl)c1 883977683 RTIVWZSJYXELSY-RKDXNWHRSA-N 439.730 5.581 30 20 IKED N#Cc1c[nH]c(-c2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)c1 904668378 IEDJJVOGNIPCJA-UHFFFAOYSA-N 431.761 5.463 30 20 IKED C=CCN(C(=O)c1ccc(CN2CCCCC2=O)cc1)c1nc(-c2ccccc2)cs1 915134255 KDUZYSCVVNERLY-UHFFFAOYSA-N 431.561 5.155 30 20 IKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1cnn(-c2ccc(Cl)cc2)c1 915945769 YSYLSJXFIQGAMX-UHFFFAOYSA-N 444.951 5.032 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc2sc3ccccc3c2s1 916903910 UJLCMKYXDSRLQE-QGZVFWFLSA-N 432.570 6.202 30 20 IKED CC(C)(C)c1noc(CCCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)n1 917042386 BHAQIDJOOLOMMX-LBPRGKRZSA-N 436.459 5.195 30 20 IKED N#C[C@H](C(=O)CSCc1coc(-c2ccccc2)n1)c1nc2ccccc2n1C(F)F 917042886 IPHBRTDWTZFVDV-MRXNPFEDSA-N 438.459 5.196 30 20 IKED COc1ccccc1[C@@H](C/N=C\c1cc(Cl)cc(Cl)c1O)NC(=O)OC(C)(C)C 917559764 VIMFFHQGSJNMSL-BYRCZEICSA-N 439.339 5.393 30 20 IKED CC(=O)N/C(=C\c1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 917877254 ZJAMSIZTIIZLSJ-XKZIYDEJSA-N 431.879 5.120 30 20 IKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 918276720 HMRXMQJLZZVMLE-BJKOFHAPSA-N 425.532 5.184 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccc(C(F)(F)F)cc1 920140719 BFUHKKCFKDFFHW-AUUYWEPGSA-N 439.462 6.071 30 20 IKED Cc1nc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)cs1 1787529027 TUIUJLJRSBUEMQ-INIZCTEOSA-N 444.560 5.140 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccccc3)cc2)CCC1 1788738285 ZEAJLYNGCPQPOM-UHFFFAOYSA-N 437.543 5.300 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4ccccc34)cc2)CCC1 1789281103 SMKHGDXWDADGMT-HXUWFJFHSA-N 428.536 5.079 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4ccc(F)cc34)CCC2)cc1 1789453808 GHRTWMLBUYEBSO-FQEVSTJZSA-N 446.526 5.218 30 20 IKED CCOc1ccccc1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CCC1 1790289673 MPUBXRUZYYYOQS-UHFFFAOYSA-N 439.515 5.018 30 20 IKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)c(F)c(Cl)c3)cc2)CCC1 1790774126 VVVDKMQHCWLFLO-LLVKDONJSA-N 441.355 5.199 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)c3ccc(OC)cc3)CCC2)cc1 1791296398 URSRPYXSMQBHNK-KRWDZBQOSA-N 442.506 5.144 30 20 IKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)cc3)[nH]n2)C1 1814398212 AJTGJPALPXXGCK-XMMPIXPASA-N 440.547 5.349 30 20 IKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cc3cccc(F)c3)cc2)[nH]n1 1822405914 WXECGVCAIZZLLG-QHCPKHFHSA-N 446.526 5.022 30 20 IKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1Cl 1823908384 SHLKITLJJVQLME-DEOSSOPVSA-N 449.982 5.067 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(F)c2)CC1 1828826877 DOQOHJNNZJBLES-NZQKXSOJSA-N 446.994 5.481 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)cc2C)CC1 1828829998 OQZUOHKFLOYSGH-VWNXMTODSA-N 426.576 5.136 30 20 IKED CC(C)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828906791 ICFDBUYPKQKYKY-HSZRJFAPSA-N 432.725 5.093 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2OCC)CC1 1829923686 DBWKOKINGCYMMG-HSZRJFAPSA-N 440.628 5.311 30 20 IKED CC(C)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1831381335 UHMJBMGYMOWNFU-QHCPKHFHSA-N 432.725 5.093 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 1831789487 ZWDZLSMWMOYWDX-GVAUOCQISA-N 436.640 5.402 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)Cc2ccco2)CC1 1832282047 JWQQVFMXCFUUTN-NZQKXSOJSA-N 428.617 5.070 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(C)c(C)c2)cc1 11162272 OTAPZJFTMVGRCS-UHFFFAOYSA-O 439.551 5.873 30 20 IKED C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)N(CCC#N)c1ccc(F)cc1 21551203 HJAIGKVJAYTCIW-LLVKDONJSA-N 431.842 5.320 30 20 IKED CSc1ccc(NC(=O)COC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 22062710 UNXKRZWZSDKJLX-UHFFFAOYSA-N 448.569 5.368 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(F)ccc1F)=C(/S)Nc1ccc(C)c(C)c1 22695456 WQLMJIVSPWKOFO-UHFFFAOYSA-O 425.524 5.482 30 20 IKED C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 36023101 IAIOSLWJQKLSOJ-VUZLNAKASA-N 444.560 5.579 30 20 IKED N#Cc1cc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)ccc1OCC(F)(F)F 46793140 QDVLVOFEMJMDFT-UHFFFAOYSA-N 445.422 5.065 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 62889387 XAOBQPSWIZMJRB-UHFFFAOYSA-N 446.463 5.145 30 20 IKED N#C[C@@H](C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1ccccn1 65043480 WEVBSFAWBWKJGL-LJQANCHMSA-N 443.304 5.187 30 20 IKED N#CCCSc1ccccc1NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 78668955 WVEOFAIICNDFOG-UHFFFAOYSA-N 427.982 5.574 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)c1 303570722 BMWOYGJBAPWOAS-HKBQPEDESA-N 432.545 5.054 30 20 IKED CC(=O)N1CCc2cc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)ccc21 303624698 DTRIPBXCHIIVTI-UHFFFAOYSA-N 431.879 5.165 30 20 IKED C=CCCc1ccccc1NC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 410350574 BSXJFDKVZWBYNX-UHFFFAOYSA-N 437.586 5.612 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCOC2(CCCCC2)C1 426522035 JCJPABGWGYSAFS-GOSISDBHSA-N 439.369 5.168 30 20 IKED Cc1cc(C(=O)Nc2ccccc2SCCC#N)nn1-c1ccc(Br)cc1 430931631 ZWFYDUPCAICMEC-UHFFFAOYSA-N 441.354 5.201 30 20 IKED N#CCCCOc1cccc(NC(=O)C(=O)N[C@@H](c2cccc(Cl)c2)C2CCCC2)c1 433875853 ANNDAXZMGRBPJN-JOCHJYFZSA-N 439.943 5.009 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1)c1ccccc1 435096180 VENPSYKJEHNHMV-AREMUKBSSA-N 445.607 5.307 30 20 IKED CC[C@@H](C#N)Sc1nc2scc(-c3ccccc3Cl)c2c(=O)n1CCCOC 436048067 DTUOAEAEYSFDLS-ZDUSSCGKSA-N 433.986 5.209 30 20 IKED COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 437912082 QFNZJJWZLBIRFG-OAQYLSRUSA-N 441.575 6.162 30 20 IKED C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 439399044 WASWYMBVUAEPEC-IBGZPJMESA-N 441.535 5.093 30 20 IKED C[C@H](SCc1ccc(C#N)cc1OC(F)F)C(=O)Nc1ccccc1C(F)(F)F 439545573 HMQRHRYTBURLEP-NSHDSACASA-N 430.398 5.439 30 20 IKED Cc1cc(F)ccc1N(CC(=O)Nc1ccccc1SCC#N)Cc1cccc(C#N)c1 440328665 QZCOOIGXPGQYNJ-UHFFFAOYSA-N 444.535 5.267 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 443116301 CCEWEAPHUPGYGC-DYESRHJHSA-N 435.593 5.097 30 20 IKED CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 445238912 QLTHJZQGPMSUHA-UHFFFAOYSA-N 431.540 5.016 30 20 IKED N#C[C@H](C(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1)c1ccc(C(F)(F)F)cn1 447246661 PDAYKWJFYWTSFL-INIZCTEOSA-N 438.434 5.505 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21 461723704 IQUUIWUJBZGVFU-HXUWFJFHSA-N 437.341 5.021 30 20 IKED Cc1nc(-c2ccc(CCNC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)s2)cs1 465474837 PWJTXWVQDHUOJR-PZJWPPBQSA-N 436.606 5.204 30 20 IKED N#Cc1ccc(-c2nnc(COc3ccc(Oc4ccc(Br)cn4)cc3)o2)cc1 466838345 ZNEWYHQFIOBZEN-UHFFFAOYSA-N 449.264 5.137 30 20 IKED Cc1ccc2[nH]cc(CCC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c2c1 468597439 OXAMJNZVULQZLZ-UHFFFAOYSA-N 425.507 5.649 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@H](c3ccccc3F)C3CCCC3)ccc21 470554473 YZSVOXGGNRBUKV-VWLOTQADSA-N 448.542 5.462 30 20 IKED N#Cc1ccc(COc2ccc(Oc3ncc(Br)cn3)cc2)c(OC(F)F)c1 473677149 PITQVZSIDJOPQY-UHFFFAOYSA-N 448.223 5.083 30 20 IKED N#CCSc1cccc(C(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1 474265924 OEAMWMOZOPSCRE-INIZCTEOSA-N 432.389 5.745 30 20 IKED C=CCc1ccc(OCC(=O)Nc2ccc(Br)cc2C(F)(F)F)c(OC)c1 475074723 GXZYRGYJXBDUET-UHFFFAOYSA-N 444.247 5.223 30 20 IKED C=CCn1c(SCC(=O)Cc2cccc(Br)c2)nnc1-c1ccccc1C 475873473 JUZPHHXBQHRFHZ-UHFFFAOYSA-N 442.382 5.106 30 20 IKED Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)Nc1sc(C)c(C)c1C#N 477139846 RZNXTPFDTBQEQB-UHFFFAOYSA-N 443.370 5.113 30 20 IKED CCN(C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1)CC(F)(F)F 480814647 XTIRQZFESGBMNT-QGZVFWFLSA-N 446.473 5.089 30 20 IKED N#Cc1cccc(-c2nnc(CN(Cc3ccccc3Br)C3CCCC3)o2)c1 486789931 WVSXSURKHZCMGY-UHFFFAOYSA-N 437.341 5.316 30 20 IKED COc1cccc(CCC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 487288798 JBPIGURVHZHKLO-UHFFFAOYSA-N 445.466 5.204 30 20 IKED Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(C)n1-c1nccs1 488015731 SMYBXKWMFMPLDH-UHFFFAOYSA-N 444.535 5.404 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C(=O)Nc3cccc(C)c3C)C(C)C)o2)cc1 489772015 GLXSVASSDVQKSJ-OAQYLSRUSA-N 437.565 5.674 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)N[C@@H](CC)c3ccc(Cl)cc3)o2)cc1 489807762 KPKQJZNPZMCQGM-IBGZPJMESA-N 443.956 5.314 30 20 IKED Cc1ccc(C[C@H](C#N)Sc2nnc(CN3CCCC3)n2-c2ccc(Cl)cc2)cc1 494665220 MPMYAQVIMBLQJZ-OAQYLSRUSA-N 438.000 5.052 30 20 IKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2cc(C(F)F)ccc2Cl)CC1 497244135 BNWNEBRAGUFVDT-UHFFFAOYSA-N 441.869 5.052 30 20 IKED C=CCN(C(=O)c1ccn(C(C)C)n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 497550049 JKFRAEJZCXBNIU-UHFFFAOYSA-N 428.561 6.087 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3coc(-c4ccc(F)cc4)n3)cc2Cl)cc1 499104360 WTEXETUKJSPWPH-UHFFFAOYSA-N 447.853 5.979 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](Oc2ccccc2CC)c2ccccc2)cc1 499693680 LRWFNTOQYCWFMW-DEOSSOPVSA-N 429.520 5.315 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N[C@H](C#N)c1ccccc1Cl 499971989 YIBZOLLOUOWYHJ-HXUWFJFHSA-N 447.753 5.373 30 20 IKED Cc1occc1C(=O)Nc1cc(NC(=O)Nc2cccc(OCCCC#N)c2)ccc1F 502245562 SEHOXDUVONGHTL-UHFFFAOYSA-N 436.443 5.306 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cc(F)ccc3OC[C@H]3CCCO3)c2)cc1 502394226 RODGPFBBVMCAGE-JOCHJYFZSA-N 432.451 5.300 30 20 IKED COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)NCCCCC#N)cc1OC 505087823 SBSIQFBKRWMKSH-MNDPQUGUSA-N 441.531 5.162 30 20 IKED CN(Cc1ccccc1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C1CCCCC1 505108048 ITRBVFJZLMXCSH-UHFFFAOYSA-N 448.586 5.317 30 20 IKED O=C(CCC(=O)c1ccc(F)cc1F)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 508097648 GORDWYSMURXVQH-KRWDZBQOSA-N 439.302 5.366 30 20 IKED CN(Cc1csc(Br)c1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 512750945 YTNJCSAAWAVJRL-UHFFFAOYSA-N 441.350 5.233 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 513095598 KUMJYSCIBQVGLP-CYBMUJFWSA-N 431.393 5.127 30 20 IKED N#CCCCn1cc(C(=O)N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)c2ccccc21 513250151 GZXDPVUURJOIEZ-QHCPKHFHSA-N 443.444 5.675 30 20 IKED COc1ccc(OC)c([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 514079166 YZPKXKGRGAYFFW-SFHVURJKSA-N 447.510 5.188 30 20 IKED Fc1ccc(CNCc2cccc(-c3nc(CC(F)(F)F)no3)c2)c(C(F)(F)F)c1 514697683 YVUYWHYTYGUIJH-UHFFFAOYSA-N 433.327 5.289 30 20 IKED C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H]1c1ccc(COC)o1 515010760 VNPRBPSURMTBJH-JOCHJYFZSA-N 429.524 5.069 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)CCc3ccc(-c4ccccc4)[nH]3)s2)cc1 517464387 REQLRWDVDUVFQW-UHFFFAOYSA-N 445.573 5.268 30 20 IKED C=CCn1c(Cc2ccccn2)nnc1N1CC[C@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 517627576 VUUFVBCJIYIZGP-KKSFZXQISA-N 427.474 5.056 30 20 IKED Cc1ccc(Cn2nc(C)c(CCC(=O)Nc3ccccc3S[C@@H](C)CC#N)c2C)cc1 518241153 YRTLKSJXHYZHNR-IBGZPJMESA-N 446.620 5.822 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1csc(Br)c1 518656110 DBXVIYAZEOAGOO-GFCCVEGCSA-N 441.441 5.634 30 20 IKED Cc1ccc(C)c(Oc2ccc(CNC(=O)Nc3ccccc3SC[C@@H](C)C#N)cn2)c1 518683073 HQQQTLZNYCTVGU-SFHVURJKSA-N 446.576 6.064 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2ccccc2OC(F)F)cc1Cl 522813771 FYMLYAUVFQSRLF-LJQANCHMSA-N 426.850 5.778 30 20 IKED C=CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)c1nc(-c2ccccc2)cs1 523510834 CSHKDLHGWDWUQL-UHFFFAOYSA-N 444.310 5.314 30 20 IKED CC[C@@H](c1ccccc1)c1nnc(S[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)o1 524311930 QRIJWKWAPJGWIG-DDPYSOHJSA-N 426.586 5.023 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F 524967673 OBFXZZVRJSGSCC-MOPGFXCFSA-N 426.394 5.387 30 20 IKED CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1 525547863 PPBKFEJJCBYNPZ-UHFFFAOYSA-N 441.531 5.165 30 20 IKED CC(C)CC(=O)Nc1ccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1F 525659497 BGPMKYYOIDFMJS-UHFFFAOYSA-N 447.535 5.761 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(NC(=O)c2ccccc2)c1 535109457 DQUITYNTDXACAO-UHFFFAOYSA-N 440.547 5.178 30 20 IKED N#C[C@H](C(=O)c1cc(OC(F)F)cc(OC(F)F)c1)c1nc(-c2ccccc2)cs1 540565197 ZHQMYAMXGIHADQ-OAHLLOKOSA-N 436.386 5.503 30 20 IKED COCCOc1ccc(C#N)cc1N[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 542188219 QPIMCABKQWLJGL-GFCCVEGCSA-N 433.295 5.113 30 20 IKED Fc1cccc([C@H](NCc2nc(-c3cccc(C(F)(F)F)c3)no2)C(F)(F)F)c1F 542260310 WMFAHVYLJWCAPP-HNNXBMFYSA-N 437.290 5.427 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(CN(C)Cc2ccccc2)c1 543279359 INKDGHDVTRGPQN-HXUWFJFHSA-N 429.589 5.965 30 20 IKED N#CCC1CCN(C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)CC1 543830955 ATAQRLTUQVDGHA-UHFFFAOYSA-N 430.430 5.115 30 20 IKED COC(=O)c1cccc(CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1C#N 548077205 BZWGFJRVASATGS-KRWDZBQOSA-N 430.348 5.147 30 20 IKED Cc1nc2cc(C(=O)Nc3cc(C#N)ccc3NC3CC3)ccc2n1Cc1ccsc1 552586941 YRGFBEGUMMOZFY-UHFFFAOYSA-N 427.533 5.153 30 20 IKED C=CCn1c(-c2ncccc2C)nnc1N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 566037828 RHTOCBJLOONQFA-HXUWFJFHSA-N 441.583 5.149 30 20 IKED N#CCCn1cc(CN2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c(-c2ccncc2)n1 572080006 GOCBXIBNGAPQNU-HXUWFJFHSA-N 439.485 5.257 30 20 IKED CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)cc1Cl 579433136 AMSUUSRHDYWJFB-UHFFFAOYSA-N 436.899 5.037 30 20 IKED N#CCSc1ccccc1NC(=O)COc1cc(Br)cc(C(F)(F)F)c1 582143892 OBBSWFWTQXSDKE-UHFFFAOYSA-N 445.260 5.101 30 20 IKED CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1 590250031 RKNXPRGOLXBHGC-FQEVSTJZSA-N 442.515 5.065 30 20 IKED COC(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1 603613779 SMYJTCGHTJTJFB-LLVKDONJSA-N 437.329 5.455 30 20 IKED CCOc1ccc([C@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 603831558 YPIXSMOABIMAGX-IBGZPJMESA-N 429.520 5.613 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)n1 604444971 HSCIAACWGZOJRW-INIZCTEOSA-N 444.871 5.395 30 20 IKED CC[C@H](NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F 606641440 AIESBTRMPCVQGT-FCHSOHFDSA-N 432.355 5.625 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)c1 608812000 AQCWDSHRWFXVFQ-UHFFFAOYSA-N 431.879 5.063 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1nc(-c2ccsc2)oc1C 608870246 FQZCGZADTUXOCP-UHFFFAOYSA-N 430.489 5.260 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3nc(-c4c(F)cccc4F)cs3)o2)cc1 609057195 BXNRNLGQOBBMQF-UHFFFAOYSA-N 437.427 5.384 30 20 IKED Cc1ccccc1C1(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)CCOCC1 609063844 LZHJPXNRTUTCFZ-UHFFFAOYSA-N 426.516 5.133 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccn(-c2cccc(Br)c2)n1 609298280 LACANCLXEHBYPI-UHFFFAOYSA-N 449.333 5.487 30 20 IKED CC(C)Oc1ccc(CC[C@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 609435010 KPKMVPLIXDCKHH-OALUTQOASA-N 425.598 6.011 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OCC(C)C 609435025 LFQFPEVFUAIYEA-MSOLQXFVSA-N 441.597 6.007 30 20 IKED CCOc1ccc(-c2nc(CC(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)cs2)cc1 609460529 KLIYHFSIGIDZFL-IBGZPJMESA-N 446.359 5.439 30 20 IKED N#C[C@H](NC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1ccc(Cl)c(Cl)c1 609460925 OZAIKHNUAYHGRC-INIZCTEOSA-N 446.725 5.100 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3c(F)cc(F)cc3-c3ccccc3)cc2)nc1 609501123 QJLZVOUXBSIWNU-UHFFFAOYSA-N 427.410 5.943 30 20 IKED COCCN(Cc1cccs1)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 609722408 WGRMVMRPLYTBKV-UHFFFAOYSA-N 426.925 5.354 30 20 IKED CCOc1ccc(-n2c(S[C@H](C)c3ccc(C#N)cc3)nnc2-c2cccnc2)cc1 609813504 FFMCHCHTBZJFGU-QGZVFWFLSA-N 427.533 5.453 30 20 IKED Cc1cc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)ccc1OC1CCOCC1 609980301 CIYLGCIOVRVJGX-UHFFFAOYSA-N 442.515 5.256 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2ncc(C(C)C)n2C(C)C)n(Cc2ccco2)c1C 610034008 KBOYMOTWWOIFJJ-UHFFFAOYSA-N 439.585 5.250 30 20 IKED COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 610200629 PVOIHJQDCOYLBG-AZGAKELHSA-N 428.557 5.319 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl 610226046 BHWNRFQCNDVRMT-UHFFFAOYSA-N 427.932 5.626 30 20 IKED CC(C)Oc1ccc(NC(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)cc1C#N 610936455 XPSHFJHINRYSKX-UHFFFAOYSA-N 436.487 5.236 30 20 IKED Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)Nc1nc(C)c(SCC#N)s1 611133402 SRJYUGHMOYFUSB-UHFFFAOYSA-N 437.472 5.037 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](C[C@@H]3CCOC3)C2)cc1Cl 611357340 XENYUKSDRSCGNY-SELNLUPBSA-N 437.971 5.666 30 20 IKED COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 618746973 FRBGSMRUISCRTE-OAQYLSRUSA-N 436.899 5.250 30 20 IKED N#Cc1ccc(CNC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)cc1Cl 619762187 ONTRITWTPBYEKQ-UHFFFAOYSA-N 437.952 5.165 30 20 IKED C=C(C)[C@@H](NC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)c1ccc(F)c(F)c1 671219364 IJPRXHBNMSLTKA-HXUWFJFHSA-N 434.914 5.328 30 20 IKED C=CCSc1ccccc1C(=O)N1CCC(c2c(OC)cc(OC)cc2OC)CC1 681620800 LEOWSTUPSWLRRX-UHFFFAOYSA-N 427.566 5.010 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCO[C@@H](c2ccccc2Br)C1 725728250 HHIGFPDLPMNQLD-HSZRJFAPSA-N 447.332 5.201 30 20 IKED CC(C)CC(=O)N[C@@H](C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccccc1 727628382 KJHYXRGPMDYBOK-OXJNMPFZSA-N 425.941 5.030 30 20 IKED Cc1cccc(C)c1NC(=O)CCCOC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 728372656 JMEWRWZJTQIHCX-UHFFFAOYSA-N 429.520 5.158 30 20 IKED CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 728669313 OAUXPCWUYMTYDY-INIZCTEOSA-N 432.501 5.256 30 20 IKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nnn1-c1ccccc1Cl 728813302 KTJMIBRCAJQWSJ-HXUWFJFHSA-N 427.895 5.137 30 20 IKED Cc1ccc(-n2nc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)c3c2CCC3)c(C)c1 730395402 FDBRIOJYVCDSIN-JOCHJYFZSA-N 448.526 5.092 30 20 IKED N#C[C@@H](C(=O)c1sccc1SC(F)F)c1nc(-c2ccc(Cl)cc2)cs1 730687205 MBGLIXRTSMXAEJ-NSHDSACASA-N 426.922 6.330 30 20 IKED CC(C)c1ccc2cc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)[nH]c2c1 731068489 AFCOQBLRPAPDFG-MRXNPFEDSA-N 435.549 5.481 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cc1cc(Cl)ccc1Cl 731076800 DHNYXCONMDOWIA-ZDUSSCGKSA-N 437.348 5.112 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccsc3NC(=O)c3ccco3)cc2)c1 731477258 YDLAARNUQWFXQB-UHFFFAOYSA-N 429.457 5.510 30 20 IKED CCCOc1nc2ccccc2cc1/C=C/C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 731768069 ZXWIGSFRPAPKCR-IENJSVCTSA-N 446.457 5.658 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)[C@@H]1C[C@H]1c1ccccc1Cl 733080121 FOVLEAXLZPHQPZ-HOTGVXAUSA-N 431.849 5.802 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)c1 733788054 GGFWJOKXEOFJBH-DEOSSOPVSA-N 426.516 5.314 30 20 IKED C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1nc2ccccc2s1 734211824 ZRJSXRFZLFTSDE-HNNXBMFYSA-N 446.507 5.769 30 20 IKED Cc1cc(C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)c(C)n1-c1ccc(C#N)cc1 734815791 RBWVTYWFAMKFPT-WJOKGBTCSA-N 433.577 5.265 30 20 IKED N#CCOc1ccc(CC(=O)O[C@H](c2ccccc2)c2ccccc2Br)cc1 735603205 HVCFKCYSBRRQFN-HSZRJFAPSA-N 436.305 5.227 30 20 IKED C#Cc1cccc(N(C)C(=O)c2cc(-c3cccc(C(F)(F)F)c3)nc3onc(C)c23)c1 737541782 SWNMYDNODWTGKD-UHFFFAOYSA-N 435.405 5.475 30 20 IKED C#CCN1CCC(C(=O)Nc2cc(-c3nc4cc(F)ccc4n3C(C)C)ccc2C)CC1 741979000 WTUMTZURWSLRMQ-UHFFFAOYSA-N 432.543 5.015 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccc(N3CCCCC3)cc2)cc1C 742468324 CACLMPTYNPZBNT-UHFFFAOYSA-N 441.579 5.001 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 742577315 XLKGOFRSTKVVAI-VGOFRKELSA-N 437.540 5.186 30 20 IKED C[C@H](OC(=O)c1nc(-c2ccccc2)oc1-c1ccccc1)C(=O)Nc1ccccc1C#N 744995091 VVNRGHHGARNNKD-KRWDZBQOSA-N 437.455 5.064 30 20 IKED C[C@@H](OC(=O)c1ccccc1-c1ccccc1C#N)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 746244828 PBPRGIIKTBVHSR-OAHLLOKOSA-N 440.415 5.101 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 746667742 PMRXMKNNPRYKQN-UHFFFAOYSA-N 446.595 5.653 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)c2c1N(C(=O)c1ccc(C3(C#N)CC3)cc1)CCC2 753473410 WHMKPCAROGAPHY-UHFFFAOYSA-N 431.536 5.490 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C2CC(F)(F)C2)cc1C 757876423 YMNHTIKUQNDJAF-IBGZPJMESA-N 443.519 5.061 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC3CCC(O)(c4ccccc4)CC3)cc2)cc1 760719056 KNFQDTWOJVSBNK-UHFFFAOYSA-N 426.516 5.105 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC3CCC(O)(c4ccccc4)CC3)cc2)c1 760928282 FNWGWDFEIXLQGR-UHFFFAOYSA-N 427.504 5.302 30 20 IKED Cc1oc(-c2ccccc2)nc1Cc1noc(-c2ccc(COc3ccc(C#N)cc3)o2)n1 761487404 DVBNTQBWSFUOQC-UHFFFAOYSA-N 438.443 5.335 30 20 IKED Cc1cc(/C=C\C(=O)c2cc(Br)ncc2F)cc(C)c1OCc1ccccn1 762422893 BKZXMXFGKPSFEX-SREVYHEPSA-N 441.300 5.470 30 20 IKED C[C@@](O)(CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc(Cl)c1 765145059 BLEWVFJCASHNHM-RUZDIDTESA-N 449.938 5.014 30 20 IKED C/C(=C\c1c(Cl)cccc1Cl)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 766457533 LBFZFEIRFPXLKW-NTCAYCPXSA-N 442.346 5.146 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CC=C(c4ccc(Cl)nc4)CC3)c2)cc1 774035104 DWNLYAGVGQFWFR-UHFFFAOYSA-N 430.895 5.720 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3cccc4ccccc34)n2)cc1 774065813 TYUPFNGFWSHBKH-KKSFZXQISA-N 428.513 5.616 30 20 IKED CC(=O)N1C/C(=C\c2ccc(-c3ccc(C(F)(F)F)cc3)o2)C(=O)c2ccccc2C1 778518650 ABWKMVHVPWJOGC-LDADJPATSA-N 425.406 5.594 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cn(C(C)(C)C)nc3Br)n2)cc1 780312358 KPILHCIQJDHHFZ-CQSZACIVSA-N 443.370 5.323 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1cc(C(=O)O)cs1)C(=O)c1ccccc1 782200363 LQNHNIMMBBRPHQ-KGENOOAVSA-N 433.529 5.476 30 20 IKED CC(C)[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@@H](O)c1ccccc1 788570068 CIZJRKXWORBWPZ-UIOOFZCWSA-N 443.547 5.211 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccccc1)C[C@H](O)c1ccsc1 789460779 VVXFEYKGRDHXPS-DEOSSOPVSA-N 434.605 6.368 30 20 IKED C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccsc1 792751345 BPSYVLQLWCQBAW-CRAIPNDOSA-N 445.997 5.082 30 20 IKED C#CCn1ccc(CN(CC)C(=O)c2c(-c3c(Cl)cccc3Cl)noc2C(C)C)n1 797515636 UXQQXDQLWFYJJI-UHFFFAOYSA-N 445.350 5.264 30 20 IKED CC(=O)N(c1nc(/C=C2\Oc3c(C)cc(Cl)cc3C2=O)cs1)c1ccc(F)cc1F 811696326 CKSJVAVRPGFIPZ-LSCVHKIXSA-N 446.862 5.684 30 20 IKED N#CCSc1ccccc1C(=O)NC[C@H](OCc1ccccc1)c1ccc(Cl)cc1 816983665 GKXNRYZRXVTELV-QFIPXVFZSA-N 436.964 5.644 30 20 IKED CC(C)n1cc(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c(C2CCOCC2)n1 856680129 JMMMDBLYFLAIRT-UHFFFAOYSA-N 430.508 5.274 30 20 IKED O=C([C@H](F)c1ccc(C(F)(F)F)cc1)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 857483598 CXFBHGXEHKGKRZ-IAGOWNOFSA-N 435.339 5.335 30 20 IKED CC(C)OC(=O)C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 915352948 PIGTTWDFZREWKF-RPBOFIJWSA-N 441.531 5.547 30 20 IKED CC[C@@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2cccc(OCC#N)c2)c2cccs2)cc1 915743611 UNELLPRXPCLPIA-HXOBKFHXSA-N 447.560 5.008 30 20 IKED Cc1ccc(C(C)C)c(OCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 916904506 FICIQZPFKHMPSU-JOCHJYFZSA-N 442.515 5.637 30 20 IKED COc1ccc(COCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916995658 BQFVVPALZRGUNV-QGZVFWFLSA-N 447.343 5.519 30 20 IKED N#C[C@H](C(=O)COc1ccc(OCc2ccccc2)cc1)c1nc2ccccc2n1C(F)F 917040323 LCLDIICVNUNZKW-HXUWFJFHSA-N 447.441 5.266 30 20 IKED CC(C)(C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccc(Br)cc1 917046809 PXZJFOZQLSONHS-AWEZNQCLSA-N 433.758 5.866 30 20 IKED CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)[C@H](Oc1ccccc1C#N)C(C)C 919638231 ZBPLMVVEUMEDGW-RUZDIDTESA-N 436.552 5.390 30 20 IKED COc1ccc(C(=O)CCCC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 920139215 OVYFLPDKLBZSSI-HXUWFJFHSA-N 434.517 5.057 30 20 IKED C[C@H](CC(=O)NC1(c2ccc(NC(=O)C/N=C/c3ccco3)cc2)CCC1)c1ccccc1 1789578300 OPIVHYSNKUBDKL-CLCAUBNZSA-N 443.547 5.026 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@H]4c5ccccc5S[C@H]43)CCC2)cc1 1791729001 LDYZXFLDASXUGT-DSNGMDLFSA-N 444.600 5.202 30 20 IKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)cn1 1792122686 RPLKOKUIBIVUSH-GOSISDBHSA-N 438.531 5.079 30 20 IKED COc1cccc(Cl)c1C(=O)Nc1ccc(C2(NC(=O)[C@H](S)C(C)C)CCC2)cc1 1792144966 UKKLBHLRVHZFBY-HXUWFJFHSA-N 447.000 5.051 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc3c1oc1ccccc13)C2 1792572643 MLFOIJOAGQOSAP-ACDBMABISA-N 444.575 5.830 30 20 IKED C=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(c3ccc(Cl)cc3)CCCCC2)C1 1801585008 HLLUFTUZGXKZPP-NUNAXRQHSA-N 441.015 5.146 30 20 IKED Cc1ccc(-c2ccccc2C(=O)N2CCC3(CCCN(C(=O)C(C)(C)C#N)C3)CC2)cc1 1805046144 OAMWXCPAIMTSJQ-UHFFFAOYSA-N 443.591 5.057 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3ccccc3o2)[C@H]1c1cccnc1 1809242542 DFGDNJXUAHWVGH-XUZZJYLKSA-N 445.563 5.140 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2C2CC2)[C@H]1c1cccnc1 1810177374 GDIMEHOLMSXXBH-PLXFJCCSSA-N 443.591 5.047 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccnc1 1810504887 IZXGNEVFIHBHRC-UNMCSNQZSA-N 439.987 5.047 30 20 IKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1 1812808578 YWAMUFIJOZVEGI-SSPYTLHUSA-N 427.633 5.296 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccnc3ccccc23)[nH]n1 1819554523 FGKDUOSYWOZYNJ-QFIPXVFZSA-N 445.567 5.256 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C2CCCCC2)CC1 1828827558 PAEVVFWEFPFODA-CNPKUOIJSA-N 426.645 5.511 30 20 IKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cccc(F)c3s2)CC1 1831851013 RZDKSENTHJDBLF-NRFANRHFSA-N 440.584 5.077 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccccc1 9447736 ICRSSASEPRTHDR-LJQANCHMSA-N 440.572 5.917 30 20 IKED C=CCn1c(SCc2cc(C#N)ccc2F)nnc1-c1ccc(Br)cc1 10611569 FIDMWIIWIQBTBA-UHFFFAOYSA-N 429.318 5.197 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccc(C)c(F)c2)cc1 11082747 FUIAMYDAJDUBFR-UHFFFAOYSA-O 427.952 5.688 30 20 IKED CCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2ccc(F)cc2F)cc1 11247467 DVUQKVHAUFRLPM-UHFFFAOYSA-O 431.915 5.519 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cc(C)cc(C)c2)cc1 22730209 RSFQBGLZNULFNO-UHFFFAOYSA-O 439.551 5.873 30 20 IKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)NCc2ccccc2)cc1 22730792 JKCGFOHUNWPNLP-UHFFFAOYSA-O 443.636 5.489 30 20 IKED CCCCc1nnc(/N=C(\O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)s1 24363964 WZXXRSKNJKQGDB-UHFFFAOYSA-N 426.489 5.968 30 20 IKED Cc1ccc(CCC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1Cl 24692198 JRSAMGKYQCUNGR-UHFFFAOYSA-N 428.970 5.235 30 20 IKED CC(C)Cn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nnc1-c1ccco1 58023179 RRNNOPUQOSTOSQ-UHFFFAOYSA-N 433.537 5.037 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2cc(Br)sc2Br)cc1 227268382 BXDZLFYQVBKTQQ-UHFFFAOYSA-N 428.149 5.327 30 20 IKED CS(=O)(=O)c1cccc([C@@H](Nc2c(F)cc(C#N)cc2F)c2ccc(Cl)cc2)c1 301463319 KCWLHXALDDRLRD-FQEVSTJZSA-N 432.879 5.095 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(Br)cc1F 303182380 KZGPOGDCQDFERN-UHFFFAOYSA-N 439.284 5.600 30 20 IKED CC1CCN([C@@H](CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2cccs2)CC1 303404448 RYQIUIMIKHYELD-ICSRJNTNSA-N 442.654 5.595 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N(Cc2ccncc2)C[C@H]2CCCO2)c1 303627909 FFYPATZSQAGRJQ-OAQYLSRUSA-N 447.922 5.220 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccccc3NC(=O)C[C@@H]3C=CCC3)c2)cc1 409979215 WJEITOIBZQYFEC-LJQANCHMSA-N 437.499 5.898 30 20 IKED CCOc1cccc(-c2cccc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)n2)c1 429035853 PIUSXVPUNJEIQT-UHFFFAOYSA-N 437.503 5.177 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H](OCC4CC4)C3)cc2Cl)c1 429427642 PMBVVIBOIGZADP-OAQYLSRUSA-N 439.943 5.214 30 20 IKED CCCc1c(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cnn1-c1cccc(C)c1 432592193 LDJNMNQGSQWKAM-UHFFFAOYSA-N 443.551 5.080 30 20 IKED Cc1ccc(C)c(NC(=O)Cc2nc(CN[C@H](CCCC#N)c3ccccc3)cs2)c1 433030953 LWSGMCCOEWMZSD-JOCHJYFZSA-N 432.593 5.466 30 20 IKED N#CC(CCSc1ccc(C(=O)N2CCCC2)cn1)(c1ccccc1)c1ccccc1 434643555 RFMAFWZAXVTPRI-UHFFFAOYSA-N 427.573 5.310 30 20 IKED C=CCC[C@H](NC(=O)[C@H](C)SCc1nc(O)c2c(C)c(C)sc2n1)c1ccccc1 435301068 VVDCARBQISTEOI-WMZOPIPTSA-N 441.622 5.459 30 20 IKED Cc1cc(-c2cc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c3c(C)noc3n2)c(C)o1 436325328 NOUBFFIJHYEIRP-GMAHTHKFSA-N 440.503 5.320 30 20 IKED CCCc1c(NC(=O)N2CCC[C@H]2c2cccc(OC)c2)cnn1-c1cccc(C#N)c1 439670453 YCYLQFKGYXPPJN-QHCPKHFHSA-N 429.524 5.074 30 20 IKED CCCc1c(NC(=O)N[C@H](C)c2nc(C3CCCCC3)no2)cnn1-c1cccc(C#N)c1 439696590 QAMHYIPUZFHQEQ-MRXNPFEDSA-N 447.543 5.010 30 20 IKED COCCCOc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 442668048 CDPULWURSXBJIM-LJQANCHMSA-N 426.925 5.369 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3cc[nH]c3c2)c1 447647701 ZSHAEMLDGITMPR-UHFFFAOYSA-N 426.501 5.023 30 20 IKED Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@@H](C)CC#N)n1Cc1cccs1 461509167 RFSIGSTURRZBFD-HNNXBMFYSA-N 434.594 5.225 30 20 IKED C[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccc(Br)cc1OCCCO 462967918 RRBKQAPMWDCBBL-AOMKIAJQSA-N 443.385 5.200 30 20 IKED Cc1nn(C)c(Sc2ccccc2)c1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 464397243 HUYVGYJTPSIRBS-QGZVFWFLSA-N 431.348 5.181 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4cccs4)C3)cc2Cl)cc1 473774210 RAHCUUHWNZFGJJ-HXUWFJFHSA-N 439.924 5.671 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O 476114736 WXUWRPPTSZJIPQ-HXUWFJFHSA-N 441.369 5.293 30 20 IKED C=C(C)[C@H](NC(=O)N[C@H](c1ccc(Cl)cc1)c1ccn(C)n1)c1ccc(F)c(F)c1 477736221 CYPITEVWHXTARO-LEWJYISDSA-N 430.886 5.058 30 20 IKED COc1cc(OC2CC2)ccc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 479659840 LGZURFMJDBQSDH-UHFFFAOYSA-N 428.488 5.134 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 480395800 RUPZBVSUTPNSOB-UHFFFAOYSA-N 439.968 5.898 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 480573199 CQINIMLDNUYYMW-UHFFFAOYSA-N 441.018 5.335 30 20 IKED C[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nc2ccccc2n1C(F)F 482028156 YJKSNUHHCKNBCS-HNNXBMFYSA-N 432.430 5.586 30 20 IKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)[C@@H](C#N)c3nccc4ccccc34)cc2)cc1 483206280 WWCLCXHFVNLWRU-DEOSSOPVSA-N 440.524 5.007 30 20 IKED C=CCC[C@H](C(=O)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1)c1ccccc1 489020337 SAFOXTJOSPQZAW-SANMLTNESA-N 430.592 5.166 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@H](C)c1nc(-c2ccccc2C)no1 489677539 UNSGKYPBFWALLV-QGZVFWFLSA-N 433.537 5.255 30 20 IKED C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@H]1CCN(Cc2ccccc2)C1 490274829 OXYVSGVNNUOXMP-REWPJTCUSA-N 441.600 5.350 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)cc1 493984174 QMOWPJUQABOQTG-RTWAWAEBSA-N 439.353 5.006 30 20 IKED C=CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 494083592 PKEDETGFLFXNHI-RTBURBONSA-N 439.924 5.694 30 20 IKED COc1ccc(C#N)cc1NC(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1 494130353 CHIVTWMDCWAUDE-NRFANRHFSA-N 437.293 5.088 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cnn(-c3ccncc3)c2C(F)F)cc1 495104791 RIZXUNJQYJQACK-UHFFFAOYSA-N 431.402 5.121 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1coc(-c2ccc(F)cc2)n1 499472427 QCZYQNHRIXPFPM-UHFFFAOYSA-N 443.453 5.576 30 20 IKED CCOc1cc(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)ccc1OCc1cccnc1 500319066 XDIIBZAWRVGYHN-UHFFFAOYSA-N 443.547 5.229 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCC(=O)Nc2ccccc2)cc1Cl 502318720 NVTCCLJXBXNFLU-OAQYLSRUSA-N 432.911 5.146 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 502682380 VDAJAXQVFRZANH-UHFFFAOYSA-N 446.320 5.157 30 20 IKED C=CCCc1ccccc1NC(=O)N[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 505028824 IWHMTSCDIOHZCR-RUZDIDTESA-N 448.588 5.428 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)c1 505112807 GKUARMOFQPDQRN-XMMPIXPASA-N 432.907 5.004 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 505966394 QJVFHDSULJKZNT-HNNXBMFYSA-N 437.780 5.456 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1 508135063 WKHBNRAZOPBMCF-WOJBJXKFSA-N 428.454 5.262 30 20 IKED CCN(CC)CC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 510059776 WAULPAUTAQTYKH-HSZRJFAPSA-N 439.003 5.581 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1nnn(-c2cccc(Cl)c2)c1C 510271494 PNAABGRIRBUXHN-UHFFFAOYSA-N 443.894 5.454 30 20 IKED N#CCSCC(=O)N(c1ccc(Oc2ccccc2)cc1)c1nc2ccccc2s1 512142552 MDYWVKZCVOKYCL-UHFFFAOYSA-N 431.542 6.010 30 20 IKED Fc1ccc([C@H](NCc2nccn2CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1 512672094 ITQUABQSKVYMMO-GOSISDBHSA-N 431.355 5.483 30 20 IKED CCOc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cs2)cc1 512952536 IXZOEQPYOSJERX-KRWDZBQOSA-N 432.530 5.217 30 20 IKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nc2ccccc2n1C(F)F 515540014 LZGQEWIRMWEIKX-HNNXBMFYSA-N 436.443 5.235 30 20 IKED N#Cc1cc(NC(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)ccc1F 520241482 VPQJTULKENSWJU-UHFFFAOYSA-N 447.445 5.071 30 20 IKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 521811650 PCIHNQHHRXKGIA-KRWDZBQOSA-N 432.593 6.282 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c1 522290806 LWGLWLXDWTUYKV-NRFANRHFSA-N 436.496 5.146 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 522533087 UWPVZEBZOIXMJQ-UHFFFAOYSA-N 435.439 5.647 30 20 IKED CCn1c(SCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)nnc1-c1ccco1 522574155 OGRBXDKUJXEOHS-UHFFFAOYSA-N 446.532 5.310 30 20 IKED C=CCN(C(=O)CCSc1ccc2c(c1)OCCO2)c1nc(-c2ccccc2)cs1 523103606 YNGOMELCXLKBAC-UHFFFAOYSA-N 438.574 5.283 30 20 IKED N#C[C@@H](NC(=O)c1csc(Br)c1)c1ccc(OCc2ccccc2)cc1 524336319 NTAPJIUBJQWBDJ-GOSISDBHSA-N 427.323 5.084 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1-c1ccc(Cl)cc1 524808791 CCSIMLCLWKKYSH-CQSZACIVSA-N 438.314 5.348 30 20 IKED Cc1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1NC(=O)NC(C)(C)C 524852480 ZOOLOSCNIDZAFW-UHFFFAOYSA-N 442.519 5.831 30 20 IKED COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 525336001 FOUOWHFZHFUUDJ-HXUWFJFHSA-N 445.519 5.088 30 20 IKED CCCc1c(NC(=O)N2CCC(OCC3CCCCC3)CC2)cnn1-c1cccc(C#N)c1 527131929 FOHUIEFDQUZRMJ-UHFFFAOYSA-N 449.599 5.290 30 20 IKED Cc1cc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1NC(=O)c1cccs1 533956843 OIQCILSLTFMJOI-IFMALSPDSA-N 429.545 5.221 30 20 IKED CCS(=O)(=O)c1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 534973808 WRGQBTFUTHBMFJ-OAQYLSRUSA-N 438.936 5.041 30 20 IKED COc1cc([C@@H](C)NCC(=O)Nc2sc(C)c(C)c2C#N)ccc1OCc1ccccc1 537054231 XFYLTGUSKBNMFZ-QGZVFWFLSA-N 449.576 5.114 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@H](CC(F)(F)F)c2ccccc2)n(C2CCCC2)c1C 537075357 QRYQEIPDMSAVDL-HXUWFJFHSA-N 432.490 5.314 30 20 IKED O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cc(O)nc2cc(F)ccc12 537242275 IQRGZTOCJVWQSW-INIZCTEOSA-N 432.295 5.132 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3csc(-c4cccc5ccccc45)n3)CC2)c1 539754741 BNGFAFTVANMHKJ-UHFFFAOYSA-N 439.540 5.519 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1cccc(F)c1)C1CCCC1 540430739 RETDZJSDIOOQMX-MZNJEOGPSA-N 425.573 5.537 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccncc2)c1 540875086 GZUWSDJRQRDOJR-UHFFFAOYSA-N 434.455 5.250 30 20 IKED CCS[C@H](C)c1noc(CN(C)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 541159179 WIOHDDJWSZMYPS-IAGOWNOFSA-N 449.580 5.325 30 20 IKED CN(C(=O)c1cccc(COc2ccccc2C#N)c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 541633656 HXGAXMHVMNFSLZ-AHWVRZQESA-N 444.506 5.269 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 543152414 NAINITCUMQOOLR-LBPRGKRZSA-N 439.415 5.025 30 20 IKED N#Cc1ccc(Oc2ccc(-c3nc(CCc4ccc(OC(F)F)cc4)no3)cc2)nc1 544975627 KWNDMIIVUYIRQJ-UHFFFAOYSA-N 434.402 5.182 30 20 IKED O=C(c1csc(C(F)(F)F)n1)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 545986570 UEAWCZRDSQDJTI-UHFFFAOYSA-N 442.356 5.162 30 20 IKED C[C@@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccccc1-c1ccc(Cl)cc1 548831778 CRSQRHXYWFHOAH-LJQANCHMSA-N 444.966 5.730 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2cccc(CNC(=O)Nc3ccccc3Cl)c2)c1 552068727 JEJVGIRVOLCBGQ-UHFFFAOYSA-N 439.302 5.439 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3CCC([C@H](F)c4ccccc4F)CC3)CC2)c(F)c1 552607167 PANNNNAWCGWSCK-DEOSSOPVSA-N 441.497 5.002 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 558338556 DHKLUTKZRUCAGC-INIZCTEOSA-N 436.556 6.113 30 20 IKED N#CC1(C(=O)NC[C@H](c2ccc(Cl)cc2Cl)c2c[nH]c3ccccc23)CCOCC1 560240840 JFCFERXDUOGHRX-GOSISDBHSA-N 442.346 5.043 30 20 IKED C[C@@H](Cc1cncc2ccccc12)C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 564143999 ODXMZMWOMBNIJM-CCLHPLFOSA-N 435.527 5.373 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCN2c3ccccc3C[C@H]2C1 571091064 UADCBUWITPKEGO-QFIPXVFZSA-N 438.531 5.328 30 20 IKED C=C[C@@](C)(CCOC)c1nc(-c2ccccc2-c2ccc(CN3CCCC3=O)cc2)no1 577539014 IVPXIENLGRFXHM-SANMLTNESA-N 431.536 5.006 30 20 IKED N#CCCC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1ccccc1 584044013 KODHYUYAUZOGJA-NRFANRHFSA-N 448.910 5.017 30 20 IKED N#Cc1c(CSc2nnc(-c3cccs3)n2Cc2ccccc2)cn2ccccc12 589958383 CVOMDUNGWGBTBT-UHFFFAOYSA-N 427.558 5.472 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCc1ncc(-c2ccccc2)o1 603533260 YFNUJMGSFNIGSE-UHFFFAOYSA-N 439.490 5.827 30 20 IKED C[C@H](NC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc(C#N)cc1 603649495 VHXGDDKLFPODTP-ZDUSSCGKSA-N 430.455 5.507 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)s2)cc1 603649915 IOXKYEDWPROCOQ-UHFFFAOYSA-N 439.544 5.408 30 20 IKED CC(C)OCc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)oc2ccccc12 603764601 JYHQJJISWHZLQY-UHFFFAOYSA-N 427.460 5.669 30 20 IKED COc1ccc(S[C@@H](C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 603923793 PFYXMRTWMBDJCA-SFHVURJKSA-N 432.545 5.460 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1Cl 604137373 GGNZOCSOCDEQAP-RKCFAAOBSA-N 449.982 5.409 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 604505112 WAYMAHYQDWJSMG-IRXDYDNUSA-N 449.439 5.635 30 20 IKED CCc1nc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)nn1-c1c(Cl)cccc1Cl 604528709 NDSBHWPEFSGRSN-UHFFFAOYSA-N 442.350 5.059 30 20 IKED Cc1noc2nc(C(C)C)cc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c12 609378372 HNSAABUJZHTWJN-UHFFFAOYSA-N 448.470 5.932 30 20 IKED COc1ccc(-c2nc(C(=O)Nc3ccccc3SCCC#N)cs2)cc1OC 609378765 OKOJCUWUWIQNQA-UHFFFAOYSA-N 425.535 5.085 30 20 IKED CCCOc1ccc([C@@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC 609436138 GWNZMQQZFCRLJQ-IAGOWNOFSA-N 427.570 5.761 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1ccc2ccccc2c1 609471035 XVZUAVZOSPEVMG-MUUNZHRXSA-N 449.554 5.659 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2Cl)c1 609504044 OCXVEGRMGFWCQX-UHFFFAOYSA-N 442.258 5.605 30 20 IKED N#C[C@@H](NC(=O)c1sc2cccc(Cl)c2c1Cl)c1ccc(Br)cc1 609588823 XCFNLPNAFQRELE-GFCCVEGCSA-N 440.149 5.965 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCCc1nc(-c2cccc(Cl)c2)no1 609636337 UQQXBYQWBSZZSE-CQSZACIVSA-N 441.944 5.006 30 20 IKED Cc1cccc(NC(=O)CN(C)C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1C 609723438 TXAMZXLYZUKYTR-UHFFFAOYSA-N 447.922 5.332 30 20 IKED C=CCN(C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 610169420 YABXJBQKPJKDJF-SJLPKXTDSA-N 441.459 5.319 30 20 IKED CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 610173130 UAFOZMPXBOOIRF-UHFFFAOYSA-N 427.504 5.217 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 610632501 GZDVDRVZYRYHDB-WOPDTQHZSA-N 425.398 5.285 30 20 IKED N#CCn1c(C(=O)N2CCCCC[C@H]2c2noc(-c3ccc(F)cc3)n2)cc2ccccc21 611536633 SSWXMPWOJYJMQG-NRFANRHFSA-N 443.482 5.111 30 20 IKED N#C[C@@H](C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1nc2cc(F)ccc2s1 618787551 MHKSQPGRNHHRBQ-SFHVURJKSA-N 447.447 5.413 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1 619290298 NMPVDXLQSZHWTM-HSZRJFAPSA-N 449.551 5.613 30 20 IKED CC(C)C(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 642282212 UZTSKWIGRBCEDQ-HNNXBMFYSA-N 431.439 5.400 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2nc3ccccc3s2)nnc1-c1cccc(C)c1 643094010 PPIFKOBJFMDPIJ-HNNXBMFYSA-N 435.578 5.169 30 20 IKED O=C(N[C@@H]1CCC(F)(F)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 675688759 HIZMEHXHRZUVSV-DSPLRFDZSA-N 433.383 5.413 30 20 IKED Cc1c([C@H](C)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)nnn1-c1ccc(F)cc1 675737805 JPKCXDPZFUTJBS-DRZSPHRISA-N 438.391 5.275 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc4ncc(Br)cc4c3)n2)cc1 682012840 UBFHGGNLJITUFK-QGZVFWFLSA-N 449.333 5.314 30 20 IKED Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1 685713360 BRBSBLUMQLCHBO-UHFFFAOYSA-N 435.702 5.157 30 20 IKED COc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1NC(C)=O 726429813 VZRLRKXPYVZMTI-ZRDIBKRKSA-N 443.528 5.464 30 20 IKED COc1cc2c(cc1NC(=O)c1occc1COc1cccc(C#N)c1)oc1ccccc12 726495952 IOOXAOKSPLCLIO-UHFFFAOYSA-N 438.439 5.891 30 20 IKED CCN(C[C@@H](C)C#N)Cn1nc(-c2cccc(OC)c2)n(-c2ccc(Cl)cc2)c1=S 726963317 BJDXSPHEFNVONW-INIZCTEOSA-N 441.988 5.171 30 20 IKED N#Cc1cccc(COc2ccc(N[C@@H](C(=O)NC3CC3)c3ccc(F)cc3)cc2Cl)c1 728062040 HBVAKJHCVWDWHQ-XMMPIXPASA-N 449.913 5.362 30 20 IKED COC1CCN(c2ccc(NC(=O)N[C@@H](C)c3ccc(C#N)cc3)cc2C(F)(F)F)CC1 728124132 HRJDZQNSAWTHMA-HNNXBMFYSA-N 446.473 5.075 30 20 IKED CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 729552690 IMJDVWSLXVFLNI-CVDCTZTESA-N 448.567 5.111 30 20 IKED COc1ccc(-n2c(SCc3ccc(OCC#N)cc3)nnc2-c2ccccc2)cc1 731156164 LOQJUGPTHIWQFB-UHFFFAOYSA-N 428.517 5.138 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 731224370 RPTFFWIQFTVFGB-VWLOTQADSA-N 436.515 5.008 30 20 IKED CC(C)n1cc(/C=C2\CC(C#N)(c3ccccc3)C/C(=C\c3cnn(C(C)C)c3)C2=O)cn1 732714559 VIGRBNQXGWFKLS-HIWNQQMRSA-N 439.563 5.533 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2sc3cc(F)ccc3c2Cl)ccc1OC 733228924 RWPMCMNEOPMYIZ-AWEZNQCLSA-N 432.904 5.313 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc1 733622757 YTARIWYJOAXCQI-LOSJGSFVSA-N 427.504 5.544 30 20 IKED C[C@@H](COc1cccc(C#N)c1)OC(=O)c1oc2ccccc2c1CSc1ncccn1 733862186 UCVUHSKLQSHNIR-INIZCTEOSA-N 445.500 5.011 30 20 IKED N#Cc1ccc([C@@H](OC(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)C(N)=O)cc1 734579105 MWFJWIOTTYXEIN-HXUWFJFHSA-N 441.270 5.041 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cccc(COc2cccc(C#N)c2)c1 734706227 WTAFVHSXFCYHNU-QHCPKHFHSA-N 433.467 5.132 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c1=S 736594091 JKVKGSIGWCWFHD-MJGOQNOKSA-N 438.572 5.250 30 20 IKED CCO[C@@H](C)c1nc(CON=C(C)c2ccc(OCc3ccc(F)cc3)cc2)cs1 736609596 AGCQUJCWZRUBJI-KRWDZBQOSA-N 428.529 5.900 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)c3ccccc3SCc3ccco3)c2)s1 739596205 UMNRXBIAKYFLTI-UHFFFAOYSA-N 430.554 6.102 30 20 IKED C=CCCCCCN(C)C(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 739809068 DGRCKIKUUZDOQT-UHFFFAOYSA-N 433.346 5.137 30 20 IKED N#Cc1ccc(-c2nnc(CSc3ncc(-c4ccccc4)n3Cc3ccco3)o2)cc1 741849888 LIQXXBGUNAPSFC-UHFFFAOYSA-N 439.500 5.405 30 20 IKED CC(C)CC(=O)Nc1ccc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1F 741948462 JUUZOHSRUWGKFV-UHFFFAOYSA-N 435.524 5.340 30 20 IKED N#CCOc1ccc(CNC(=O)c2c(Cl)cccc2Oc2ccccc2Cl)cc1 742628082 QOJVXXYDQAGZLM-UHFFFAOYSA-N 427.287 5.618 30 20 IKED N#CCOc1ccc(CNC(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)cc1 743193056 SHPBGMPSLWQAIP-UHFFFAOYSA-N 445.413 5.287 30 20 IKED COc1ccc2sc(C(=O)[C@@H](C#N)C(=O)Nc3cc(C)c(Cl)cc3OC)c(C)c2c1 744028058 FDSGFKAMBWYKJV-OAHLLOKOSA-N 442.924 5.150 30 20 IKED COc1ccc(CNCc2c(C)nn(-c3cccc(C(F)(F)F)c3)c2Cl)cc1C#N 746743523 ZPTVSJHZAYOHPG-UHFFFAOYSA-N 434.849 5.023 30 20 IKED CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 748482704 NFICRMXCZLBOIN-SJLPKXTDSA-N 429.973 5.067 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccc(C#N)s1 749014845 PAXVOBUHDIIZTF-JOCHJYFZSA-N 431.492 5.026 30 20 IKED C=CCC[C@H](NC(=O)NCc1ccc(-n2ccnc2C)nc1)c1ccc(C(F)(F)F)cc1 749775322 USUHKEKNVTYWAJ-FQEVSTJZSA-N 443.473 5.101 30 20 IKED CC(=NNc1nc(Br)cn2ccnc12)c1sc(-c2ccc(C)cc2)nc1C 749861519 RPPZKOMZRZVJSP-UHFFFAOYSA-N 441.358 5.068 30 20 IKED CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccccc2Sc2ccccc2C#N)c1C 750092369 GWBSEIFHNPZJTN-QGZVFWFLSA-N 446.528 5.285 30 20 IKED CCN(CC)C(=O)COc1ccc(C(=O)/C=C/c2cnc(-c3cccs3)s2)cc1 751513079 NNSXMCCEQOHRQL-VAWYXSNFSA-N 426.563 5.015 30 20 IKED N#CCOc1ccc(CC(=O)Nc2ccc(Cl)cc2-c2nc(C3CCCC3)no2)cc1 753274466 PUVASGCOAJAZKH-UHFFFAOYSA-N 436.899 5.131 30 20 IKED CCOc1ccc(C=NO[C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1OC 757616948 WFMGYEWBFDHRRV-GFCCVEGCSA-N 436.295 5.562 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](c2ccc(F)cc2F)C(C)(C)C)ccc1OC 758773830 HBKRKNRCOSZKED-VGOFRKELSA-N 445.510 5.241 30 20 IKED C=C[C@@H](CC(=O)OCc1csc(N(C(C)=O)c2cccc(C)c2C)n1)c1ccccc1 758919731 HTKNQXCMVRSOSN-FQEVSTJZSA-N 434.561 5.848 30 20 IKED CN(C(=O)Nc1ccc(F)cc1OCC#N)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 761669997 LSSVUZZKMMGAFP-QFIPXVFZSA-N 441.865 5.774 30 20 IKED Cc1cccc(-c2cncc(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)c2)c1 768681709 XSJIQYMVZODGAM-GOSISDBHSA-N 445.544 5.104 30 20 IKED COCCc1nc(C)c(C(C)=NNc2ccc(Br)cc2C(F)(F)F)s1 770607038 QFOXKNNLWDPLPI-UHFFFAOYSA-N 436.297 5.258 30 20 IKED Fc1c(F)c(F)c(CNC2(c3cccc(OC(F)(F)F)c3)CCOCC2)c(F)c1F 773916758 WWKVHWQXDWXACC-UHFFFAOYSA-N 441.318 5.076 30 20 IKED N#CCOc1ccc(Cl)cc1CN[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 776450736 IKCPLLMDVKPIDJ-JOCHJYFZSA-N 434.902 5.262 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1)c1nc2cc(F)ccc2s1 779206483 NWHVYBRXKZDOPW-QAKNJHSXSA-N 447.535 5.085 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1 780152283 SGRIPSVQPJNFLC-LBPRGKRZSA-N 432.263 5.104 30 20 IKED Cc1ccc(-c2cc(C(=O)Nc3ccccc3O[C@H](C)C#N)c3cnn(C(C)C)c3n2)cc1 780154211 NXBXUTRBCPWIRE-GOSISDBHSA-N 439.519 5.531 30 20 IKED N#CCC1CCN(C(=O)c2cc(-c3ccccc3)nc3cc(Br)ccc23)CC1 782055780 MRDBXLKICZFMAM-UHFFFAOYSA-N 434.337 5.430 30 20 IKED C[C@@]1(C#N)CCCN(Cn2nc(-c3cc(-c4ccccn4)nc4ccccc34)oc2=S)C1 784013331 NLUKOXRDIMNDDC-DEOSSOPVSA-N 442.548 5.066 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)NCc2cccc(Cl)c2)c(C)n1[C@H](C)c1ccccc1 786541987 XUDQLFNLLKDQGV-HXOBKFHXSA-N 433.939 5.007 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1)c1ccccc1 787291821 DYDMXLPEVFKCOR-XMMPIXPASA-N 435.568 5.042 30 20 IKED C#CCn1ccc(CN(CC)C(=O)N[C@H](c2ccccc2)c2cc(Cl)ccc2Cl)n1 789183092 FXOJZVIDLYPMFZ-JOCHJYFZSA-N 441.362 5.144 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C 789455381 KDWXDWJXTMNEBH-GHTZIAJQSA-N 429.605 5.838 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@H]2[C@@H](NC(=O)OC(C)(C)C)CCC[C@H]2C1 789457065 RBDKXNFGGNDBEN-NNWRFLSQSA-N 441.616 5.696 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)ccc21 793756577 OTVCBDFPOMQGAP-UHFFFAOYSA-N 443.547 5.175 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c1=S 795687065 JFUPXUKNWVFHQI-ZLNRFVROSA-N 431.609 5.278 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc2nc(-c3ccccc3)oc2c1 796635464 ZVIBDELNJOUVFU-OAQYLSRUSA-N 437.499 5.581 30 20 IKED CC(C)(C(=O)OCc1nc(O)c2c(-c3ccccc3)csc2n1)c1cc(F)cc(C#N)c1 797089238 RLDUNSPHPRUBBJ-UHFFFAOYSA-N 447.491 5.096 30 20 IKED CC(C)(C)OC(=O)N[C@H](CCC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)c1ccccc1 797572856 JTERSLJXWDRVQP-QZTJIDSGSA-N 441.597 5.663 30 20 IKED N#C[C@H]1CC[C@@H](COC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)CC1 809092183 ZNSUIRRFYTYIDZ-YXOQKGKWSA-N 430.548 5.040 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(C#N)cc1C(F)(F)F 811632099 ZSAFIPAWCVROIL-UHFFFAOYSA-N 438.434 5.206 30 20 IKED Cc1ccc([C@](O)(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C(F)(F)F)o1 915085544 NHPLNBUYGKAUTQ-SIKLNZKXSA-N 428.410 5.022 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 915086999 PCEMBHQPXAMNMC-HSZRJFAPSA-N 427.504 5.941 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)c1nc(NCc2ccco2)ncc1Cl 915850908 CWVZMILGZRZAJH-UHFFFAOYSA-N 443.894 5.054 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(-c2ccc(F)cc2)o1 916886083 CYVJPIWNEWQNJO-MRXNPFEDSA-N 430.407 5.362 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)Nc1ccc(F)c(Cl)c1 916936753 UZELXXYPXTXYNP-AWEZNQCLSA-N 448.306 5.146 30 20 IKED N#C[C@H](C(=O)CSCc1coc(-c2ccccc2)n1)c1nc2cc(Cl)ccc2s1 917046880 NCJAQSRJOHGXCD-MRXNPFEDSA-N 439.949 5.714 30 20 IKED COc1ccc(-c2nc(/C=C3/SC(=S)N(c4ccccc4C#N)C3=O)cs2)cc1 917644595 IZGUNKPXHXPURF-VCHYOVAHSA-N 435.555 5.096 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1cccc(Cl)c1 920108558 GTCQBMLTXQNFPE-GOSISDBHSA-N 426.303 5.362 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)Cc3cccnc3Cl)cc2)CCC1 1786769926 QNWVLCMRWKVRTI-UHFFFAOYSA-N 437.971 5.180 30 20 IKED Cc1cc[nH]c1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1787105497 LKIXHKSMGDGFFL-GOSISDBHSA-N 426.520 5.012 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccccc4n3)cc2)CCC1 1788892456 IOAOGRPEWLUCQM-OAQYLSRUSA-N 440.547 5.146 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)/C=C/c3cc4ccccc4o3)cc2)CCC1 1789114492 MPCSTFBLHJOUME-OUKQBFOZSA-N 446.572 5.499 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)/C(C)=C/c3ccc(C)o3)CCC2)cc1 1791298617 JIKOHUZNJPXKTN-FOCLMDBBSA-N 428.479 5.337 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2C2CC2)[C@@H]1c1cccnc1 1810501355 BXRUBPKKWWOALO-RCZVLFRGSA-N 445.607 5.271 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc(-c3ccccc3)s2)n[nH]1 1819932268 GQGPPJOJOXPTJQ-VQIMIIECSA-N 449.580 5.051 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)cc2)CC1 1824143418 MNVXDGFUOPPUQC-HSZRJFAPSA-N 429.004 5.342 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccoc3cn2)CC1 1829068837 SVDJTGZAATUHKS-JOCHJYFZSA-N 437.584 5.054 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(OC)c2)CC1 1830463200 DEKAIWZCDKZNSR-XMMPIXPASA-N 440.628 5.229 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)c1sc3ccccc3c1Cl)C2 1841319048 BAZAESSPSIDLQW-UHFFFAOYSA-N 428.985 5.140 30 20 IKED C=C(Cl)CSC1=N/C(=C/c2cccs2)C(=O)N1c1ccc(OC)c(Cl)c1 8953156 MMMTVMNRKZLXTQ-OQLLNIDSSA-N 425.362 5.640 30 20 IKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(N(C)C)cc2)c1 22729791 YSNQBUAPINDIIZ-UHFFFAOYSA-O 444.624 5.197 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)n1 26144747 PPXNCFBEJRCMMC-CHWSQXEVSA-N 433.455 5.385 30 20 IKED N#Cc1ccc(-n2c(SCc3cc(-c4ccccc4)no3)nc3ccccc3c2=O)cc1 29913913 AMADSBPLCWEMKJ-UHFFFAOYSA-N 436.496 5.205 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCc1csc(-c2ccccc2OC)n1 32785306 SXCGGASACVSMIY-UHFFFAOYSA-N 434.590 5.479 30 20 IKED C=CCn1c(SCC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)nc2ccccc21 39576191 GEAFCVBRTGEKJY-UHFFFAOYSA-N 431.565 5.064 30 20 IKED Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)N(C)Cc2cccc(C#N)c2)n1 58551149 FTDVUOFCUXRWCK-UHFFFAOYSA-N 427.430 5.044 30 20 IKED COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 58646532 NIPYCAFEIUDMHH-QFIPXVFZSA-N 427.504 5.598 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CCC2 64455961 ZVSSNZDUSNMAPK-OBGWFSINSA-N 435.483 5.837 30 20 IKED N#CCCn1cc(C(=O)COC(=O)c2cccnc2Sc2ccccc2)c2ccccc21 104515868 MUEFOCSIHJYZDZ-UHFFFAOYSA-N 441.512 5.141 30 20 IKED N#CCCCOc1cccc(CNCc2cc(Br)ccc2OC(F)F)c1 237800865 GXYVJQDHAPJRHW-UHFFFAOYSA-N 425.273 5.023 30 20 IKED C=CCNC(=O)Nc1ccc(NCc2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1 237872628 IHHJQKCQWDRSSL-UHFFFAOYSA-N 434.927 5.512 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(Br)cc1F 247693332 XQCNKGNDJXTDMG-UHFFFAOYSA-N 427.298 5.863 30 20 IKED COc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 301765422 SDOZVTSXFOFMKG-LJQANCHMSA-N 426.925 5.508 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cnn1Cc1ccccc1 302964098 QUYMBRHQHROULC-IBGZPJMESA-N 432.936 5.507 30 20 IKED CCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)[C@H](C)c1cccnc1 303681421 KIPGELOWDOOCKK-QGZVFWFLSA-N 434.927 5.801 30 20 IKED CCO[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C12CCCC2 303829691 HAXYXVHHFKEUMW-PKTZIBPZSA-N 446.551 5.012 30 20 IKED CC(C)(C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)c1csc(-c2cccs2)n1 410096783 WGDIWEVZRZGYNI-CQSZACIVSA-N 435.496 5.549 30 20 IKED Cc1cnc(C2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)s1 433518476 HOFXQDOQVXSUDY-UHFFFAOYSA-N 446.576 5.622 30 20 IKED CC(C)Oc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1Cl 437450006 GULOPZCKMNWOSC-UHFFFAOYSA-N 449.894 5.368 30 20 IKED C[C@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC[C@H]1c1ccccc1 437891897 QIONCVQJFMTMGD-HFZDXXHNSA-N 439.559 5.989 30 20 IKED N#CCC[C@@H](NC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)c1ccccc1 439380723 BOAJJPCFGHTYMZ-LJQANCHMSA-N 440.425 6.059 30 20 IKED C=CCC[C@H](NC(=O)NC1CCN(Cc2ccncc2)CC1)c1ccc(C(F)(F)F)cc1 440816101 BFNYJMSXPCDAFU-QFIPXVFZSA-N 446.517 5.072 30 20 IKED CCn1c([C@H]2CCCN2C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)nc2ccccc21 442188865 AYTHCRLWQAPIEZ-GOSISDBHSA-N 443.429 5.195 30 20 IKED COc1ccc(-c2ncc(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)s2)cc1 442683371 QEYASGQKVXJTJB-SFHVURJKSA-N 431.542 5.741 30 20 IKED Cc1sc2nc(S[C@H](C)c3cccc(C#N)c3)n(Cc3ccccn3)c(=O)c2c1C 442912541 MYNFNEDYEJQHOS-MRXNPFEDSA-N 432.574 5.243 30 20 IKED C=CCCC[C@H](C)NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 443177952 ZQHUVGFOXXSDHN-WMLDXEAASA-N 433.350 5.090 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(Br)s2)cc1 444103798 IFTDHJRGGSXQGB-AWEZNQCLSA-N 448.386 5.208 30 20 IKED N#Cc1c(NC(=O)c2c(F)ccc(Br)c2F)sc2c1-c1ccccc1CC2 447382995 JVRBUDNAYTYJAJ-UHFFFAOYSA-N 445.288 5.678 30 20 IKED Cc1ccccc1[C@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)[C@H](C)CO1 460393371 IWXXGLWXONVTTE-FQRUVTKNSA-N 426.516 5.456 30 20 IKED Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 460470894 WORAXRUYRUDNRH-SFHVURJKSA-N 440.286 6.118 30 20 IKED C[C@@H](NC(=O)[C@H](C)c1cccc(C#N)c1)c1nc(-c2ccc(Br)cc2)cs1 462244338 FLHJKEHPBVPSFN-ZIAGYGMSSA-N 440.366 5.425 30 20 IKED C[C@H]1CCCN(c2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)ccn2)C1 464182890 GTZGQTLTOTXARW-HNAYVOBHSA-N 436.968 5.585 30 20 IKED N#C[C@@H](C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1cc(C(F)(F)F)ccn1 464461230 AYSOWVYGGGAROO-GOSISDBHSA-N 443.406 5.650 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(OCC)c1OC(F)F 465227347 ILILCOFOOLXGKI-UHFFFAOYSA-N 430.904 5.299 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccccc2CCC(F)(F)F)cc1C 465476425 GVIYQEFNDNJOES-UHFFFAOYSA-N 440.469 5.828 30 20 IKED COc1ccccc1-c1ccc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1 466079971 XZAXLORBCGYKSE-FQEVSTJZSA-N 427.548 5.915 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1cc(F)ccc1F)c1ccccc1Cl 466228177 RCVHSTQZLWXRLC-QFIPXVFZSA-N 425.866 5.421 30 20 IKED Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)c1ccc(COc2ccccc2C#N)o1 470271082 QPEYDONXUXUKMU-IBGZPJMESA-N 428.410 5.462 30 20 IKED Cc1cc(C)cc(C2=CCN(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)CC2)c1 470539830 NKOKCQMMPPYDNK-UHFFFAOYSA-N 442.563 5.208 30 20 IKED COC(=O)c1nc([C@H]2CCCN2CCC(C#N)(c2ccccc2)c2ccccc2)sc1C 471024013 XOLZJGSAPORQNR-JOCHJYFZSA-N 445.588 5.275 30 20 IKED CC(C)(C)OC(=O)CCc1cccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 471351146 TYXZMJWKLFNOJV-PKTZIBPZSA-N 433.552 5.265 30 20 IKED COc1ccccc1[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1Cl 471682791 MFTJCNRLWUGYQH-QHCPKHFHSA-N 430.895 5.149 30 20 IKED CCOc1ccccc1Oc1ccccc1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 473439765 YQKZOWXUXYNPIO-UHFFFAOYSA-N 442.515 5.433 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 475586109 WYCPXSYMIVNOQO-LJQANCHMSA-N 432.973 5.184 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)Sc1ccccc1S(=O)(=O)CCC 476120902 FCZVBNYBBCBUNE-GOSISDBHSA-N 445.650 5.842 30 20 IKED CC(C)N1CC[C@H](NC(=O)C[C@@H](CC#N)c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 476604762 XUJIIROFPLLKJS-OUOWLKGYSA-N 427.951 5.207 30 20 IKED CCCNc1ccc(C#N)cc1NC(=O)c1cc(Br)ccc1Br 476769480 XNZHMSOWKDBUJK-UHFFFAOYSA-N 437.135 5.157 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 476797444 TULNTNUQWJXFOT-OAQYLSRUSA-N 443.385 5.507 30 20 IKED CCc1c(NC(=O)C[C@@H](CC#N)c2ccccc2)cnn1-c1ccc(C(F)(F)F)cc1 477011080 LDCJLDCTADOFTQ-QGZVFWFLSA-N 426.442 5.480 30 20 IKED O=C(c1ccc(Cl)cc1)C1CCN(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1 478368062 IETWIIIGXYGJBQ-UHFFFAOYSA-N 448.872 5.015 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2F)nnc1-c1ccco1 481546322 REYUUJXELMGPRS-UHFFFAOYSA-N 440.422 5.003 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)nnc1-c1ccco1 481890741 HELBBFTUNKCQDH-UHFFFAOYSA-N 438.553 5.074 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(-c4n[nH]c(C5CC5)n4)cc3)cc2)c1 483198392 LSNGCAMCCIUQTR-UHFFFAOYSA-N 435.487 5.052 30 20 IKED COc1ccc2c(c1)c(C(=O)[C@H](C#N)c1cnc3ccccc3n1)c(C)n2Cc1ccccc1 483244482 ZLCXEMDLPAKZKI-JOCHJYFZSA-N 446.510 5.440 30 20 IKED CCOc1ccc(-c2nc(CC)c(C(=O)[C@H](C#N)c3cnc4ccccc4n3)s2)cc1 483980753 DXZZHZGCABJOTQ-QGZVFWFLSA-N 428.517 5.204 30 20 IKED CCc1c(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cnn1-c1cccc(Cl)c1 485341876 NKKMYYDDURKTLC-OFNKIYASSA-N 433.943 5.392 30 20 IKED N#CCCC[C@H](NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1ccccc1 487417521 FQYMPDTUHOMVOR-DQEYMECFSA-N 425.532 5.099 30 20 IKED COc1ccc(CCN(Cc2ccsc2)C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1OC 489319009 WGRDXBXQMYXSJG-SFHVURJKSA-N 449.576 5.152 30 20 IKED C=CCOc1ccc(-c2nnc(SCCCc3nc(-c4cccs4)no3)o2)cc1 489811943 LPYAINNGWJFPTH-UHFFFAOYSA-N 426.523 5.138 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc4nc(C(F)F)sc4c3)CC2)c1 493010551 RGPRWLRYFZZLFJ-UHFFFAOYSA-N 428.464 5.181 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3nncc4ccccc34)cc2)sc2ccc(C#N)cc12 498197156 WJLKMAWHHRMPJO-UHFFFAOYSA-N 436.496 6.069 30 20 IKED CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1nc(-c2ccccc2C(F)(F)F)cs1 503153573 SIZVQSVZYOMKCP-IBGZPJMESA-N 439.459 5.029 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)n2)cc1 503584668 IJRWXCLQRMZCBS-QHCPKHFHSA-N 435.508 6.273 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3cc(Cl)ccc3OCC(F)(F)F)CC2)cc1 503627239 LFXNONMFMFMLBF-UHFFFAOYSA-N 435.833 5.474 30 20 IKED CCCN(C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H](C)CC(=O)Nc1ccccc1 505298844 UFTYBMVBAGTOGE-RTBURBONSA-N 438.597 5.600 30 20 IKED CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)C1 505633120 KBWCIWDEKDTKHI-TZIWHRDSSA-N 435.593 5.234 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(Cc4cccc(F)c4)n3)n2)cc1 505716930 NVQOPBZLFZKWCK-SFHVURJKSA-N 449.532 5.495 30 20 IKED N#C[C@@H](NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1cccc(C(F)(F)F)c1 505923012 OPVNLUODAXGNJP-HXUWFJFHSA-N 441.384 5.091 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCCc2ccc(Br)s2)cc1 508166162 TVRXEDRNIASSQC-UHFFFAOYSA-N 447.398 5.286 30 20 IKED C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCC(C(=O)c2ccccc2)CC1 508509097 ZGZYQVVZVQGSHQ-UHFFFAOYSA-N 432.593 5.164 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1nc2ccccc2o1 509535400 DPTGZRJTWBOHCZ-CYBMUJFWSA-N 430.773 5.176 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCCCC[C@@H]3c3ccncc3)c2)cc1 509879764 KZRFJDDJNPMSSP-AREMUKBSSA-N 440.547 5.876 30 20 IKED CCN(Cc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1)C(C)C 512231162 SVOWLDGLSNSOHH-UHFFFAOYSA-N 441.575 5.814 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Oc4ccncc4)c(Cl)c3)n2)cc1 512943231 MLHNOVOZXKRMQN-LJQANCHMSA-N 445.931 6.449 30 20 IKED C[C@H]1CN(c2ccccc2NC(=O)c2cccc(COc3ccccc3C#N)c2)C[C@@H](C)O1 513504648 FQMRNBYOJLJPIT-BGYRXZFFSA-N 441.531 5.003 30 20 IKED Cc1nn(C)c(C)c1C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 513648727 SIHPBYCWPOVJRC-ZDUSSCGKSA-N 447.301 5.108 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1 513681909 LPYQFVUQGPPOLS-GOSISDBHSA-N 448.931 6.027 30 20 IKED CCCNC(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 513871966 AJCVXFIPVVNQAM-UHFFFAOYSA-N 444.510 5.071 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1csc(-c2cccs2)n1 517460559 KOHRDMBYPUMKSY-AWEZNQCLSA-N 445.660 5.995 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 521836317 NFXQPBQXBWIKMY-UHFFFAOYSA-N 430.430 5.061 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(NC(=O)CSc2cccs2)cc1 522670739 AWGVLXWYFNBIFZ-UHFFFAOYSA-N 449.601 5.401 30 20 IKED COCCCOc1ccccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 523947195 SQRYGJBHFNAZQD-UHFFFAOYSA-N 436.895 5.672 30 20 IKED Cc1nc(C)c(CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)s1 524565712 FFCMYIXSFMIEDX-UHFFFAOYSA-N 440.956 5.228 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)cc1 524955601 WKOPCYBPNYUEHW-UHFFFAOYSA-N 443.507 5.199 30 20 IKED CCC[C@@H](NC(=O)C1CCN(c2oc(C)nc2C#N)CC1)c1ccc(Cl)c(Cl)c1 527242453 RRZPNAOWWPOLQV-GOSISDBHSA-N 435.355 5.036 30 20 IKED C[C@]1(c2ccccc2)CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCO1 531597048 VASISARTZZPKOX-HHHXNRCGSA-N 441.531 5.111 30 20 IKED CC(C)(C)OCc1ccccc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 539113536 ZMZRVGOVEDSKCF-UHFFFAOYSA-N 438.578 5.269 30 20 IKED Cc1cnc([C@H](C)CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)s1 541749865 VCGXSNHNIJEAHR-CQSZACIVSA-N 440.956 5.481 30 20 IKED CC(=O)[C@@H]1C[C@H](CC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)C1(C)C 546086337 DJRXMFOKGJSGHO-WBVHZDCISA-N 449.498 5.204 30 20 IKED Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 552105023 CVYKXUNFJXAHFQ-IBGZPJMESA-N 434.559 5.240 30 20 IKED N#C[C@@H](NC(=O)c1nc2ccccc2cc1Br)c1ccc(Cl)c(Cl)c1 583835755 SWHUITXRWACDON-MRXNPFEDSA-N 435.108 5.299 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(C(=O)Nc4ccccc4)c3)cn2)cc1 586386371 UVNPAOCIKSQMTO-UHFFFAOYSA-N 434.455 5.250 30 20 IKED C=CCN(C(=O)c1ccc2cc(OC)ccc2n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 589631271 IXBAUZYNUMGEMU-UHFFFAOYSA-N 446.488 5.108 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1ccoc1C 597494327 IFGZXEJPLUXROB-LJQANCHMSA-N 449.580 5.077 30 20 IKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCCc3nc(O)c4ccccc4n3)c2C#N)C1 602286551 DSVUBBYJVUBGKJ-HNNXBMFYSA-N 448.592 5.381 30 20 IKED Cc1nc(NC(=O)c2ccccc2SCc2c(C)noc2C)sc1SCC#N 603774984 PHHOJJZWRYTAST-UHFFFAOYSA-N 430.580 5.217 30 20 IKED N#Cc1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2c(c1-c1ccco1)CCC2 603818607 TULVPNIZRPDHQS-UHFFFAOYSA-N 443.450 5.452 30 20 IKED Cc1nc2ccnn2c(C)c1CCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603962027 AWIFZXZCLXOGQB-QFIPXVFZSA-N 443.938 5.226 30 20 IKED Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603971539 WLBOQVOOQUBKOJ-SFHVURJKSA-N 441.896 5.013 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2csc(-c3ccccc3)n2)cc1 604003453 FIXSZXLBPGASHP-UHFFFAOYSA-N 439.540 5.636 30 20 IKED CC[C@@H](C)c1ccc([C@@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C(C)C)cc1 604135795 FUHWKQFWRIWDIY-NSYGIPOTSA-N 431.584 5.177 30 20 IKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604522869 MQTJXDCWVDBUJR-OFVILXPXSA-N 442.519 5.377 30 20 IKED Cc1cc(Cl)cc2nc(SCC(=O)NCC#Cc3cccc(C(F)(F)F)c3)oc12 604934369 ZJGQBDFLGFOQNH-UHFFFAOYSA-N 438.858 5.068 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1ccccc1C(F)(F)F 605481164 FEADPRUJRYYFKU-UHFFFAOYSA-N 431.254 5.918 30 20 IKED Cc1oc(-c2ccsc2)nc1CC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 608871547 ZXYQMESAVCMPRO-UHFFFAOYSA-N 429.501 5.343 30 20 IKED CC(C)c1noc2ncc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)cc12 609063223 RCJYTPVJSBYIBU-UHFFFAOYSA-N 446.894 5.703 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 609402852 DCODWZFUOQAZCE-IRXDYDNUSA-N 444.551 5.127 30 20 IKED COc1cc(CSCC(=O)Nc2ccccc2F)ccc1OCc1cccc(C#N)c1 609741165 QPJPGJBRZZHWOX-UHFFFAOYSA-N 436.508 5.157 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(O)nc2ccc(F)cc12 609970342 XBVYRHJXUQEAPC-UHFFFAOYSA-N 427.435 5.091 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCC(OCC4CCCCC4)CC3)c2)c1 610237055 WDGSFSAUCNSPHK-UHFFFAOYSA-N 432.564 5.339 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(CCCO)[C@H]3CCCc4ccccc43)cn2)cc1 610661004 XTHNFUDQAOXKNK-DEOSSOPVSA-N 442.519 5.039 30 20 IKED Cc1sc([C@@H](C)NC(=O)NCc2ccc(C#N)cc2F)nc1-c1ccc(Cl)cc1 610667886 QDEKQJWRWFIUKZ-GFCCVEGCSA-N 428.920 5.343 30 20 IKED COc1cc([C@@H](C)NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)ccc1OCc1ccccc1 618808384 WKBBUVNJLHAHFQ-HOYKHHGWSA-N 441.531 5.194 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2ccc3nc(C(F)F)sc3c2)c1C(F)F 672299917 IDQSXVYJTPBWRS-UHFFFAOYSA-N 440.344 5.659 30 20 IKED O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cnn(-c2ccncc2)c1C(F)F 683739692 JTWSZIGVQXVGQR-UHFFFAOYSA-N 432.299 5.111 30 20 IKED COc1ccc(NC(=S)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1Cl 726904759 FSTFQVZBCXZIAQ-UHFFFAOYSA-N 439.943 6.071 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCN(C(=O)OC(C)(C)C)C(C)C 727133975 SSWMEDJHMRZICO-UHFFFAOYSA-N 438.528 5.028 30 20 IKED C[C@@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1cccc2ccccc12 728110876 WYKXHKMYNJPPJB-QGZVFWFLSA-N 440.455 5.067 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)Nc1cc(Cl)ccc1F 728298428 UNLPTVYOKJSWFQ-AWEZNQCLSA-N 441.865 5.508 30 20 IKED COc1ccc(C=NNc2ccc(Br)cc2F)cc1OCc1cccnc1 728432454 QDXGXJGSULVMJH-UHFFFAOYSA-N 430.277 5.017 30 20 IKED C#Cc1ccc(C(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)cn1 728822347 XEBXNKZIAREAAA-UHFFFAOYSA-N 429.863 5.203 30 20 IKED C[C@@H](OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C(=O)Nc1cc(F)ccc1F 732377509 OUZNFVNFBULROC-OAHLLOKOSA-N 436.414 5.007 30 20 IKED C=CC[C@@H](NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1)c1ccncc1 734460167 POQMJRODAUKNFL-HXUWFJFHSA-N 436.968 5.550 30 20 IKED N#CCOc1ccc(Cl)cc1CSCc1csc(-c2ccc3c(c2)OCO3)n1 735318370 MLVFFDZQWGUJFW-UHFFFAOYSA-N 430.938 5.528 30 20 IKED COc1cccc(N2CCC[C@H](NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)C2)c1 735365486 BITFWXYPIBPZDK-JYFHCDHNSA-N 440.547 5.141 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)CCC3)[n+]2cccc(O)c2Cl)c1 735665934 KPABZOCYNQPVFY-UHFFFAOYSA-O 447.967 5.126 30 20 IKED C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 737312920 LIPQOOTVTRAGBT-HOYKHHGWSA-N 445.950 5.024 30 20 IKED COc1ccc([C@@H](NC(=S)Nc2ccccc2C#N)c2ccccc2Cl)c(OC)c1 743029350 WEOUMGLIVHQDOZ-QFIPXVFZSA-N 437.952 5.305 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=NNc1oc(CC(C)C)nc1C#N 745613653 LNLBTBSTXMAOTM-UHFFFAOYSA-N 431.327 5.051 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@H](C)Oc2ccc(Cl)cc2Br)n1 747196761 BIPCLHMHWVOFKQ-CMPLNLGQSA-N 427.751 5.326 30 20 IKED COc1ccc(/C=C\C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)cc1OCCCC#N 747361074 BBVGGPDTUWSRHD-WMZJFQQLSA-N 431.444 5.232 30 20 IKED Cc1nc(C(=O)O[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)nn1-c1ccc(F)cc1 750217212 MGPIZCOZRPEVMD-OAHLLOKOSA-N 447.310 5.194 30 20 IKED Cc1ccc(-c2nn(CN3CCC[C@H]3[C@H](C#N)c3ccccc3)c(=O)c3ccccc23)cc1 751933896 LROVKKKQJWJBTA-FTJBHMTQSA-N 434.543 5.101 30 20 IKED C[C@H](C[C@@H](O)c1cccs1)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 752189294 QPPQMMMQPQCYLG-VGOFRKELSA-N 435.549 5.027 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(C)[C@@H](C)c2ccccc2Br)cc1C#N 752303907 DPOMZIVCHICGLO-ZDUSSCGKSA-N 445.317 5.114 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2sc(-c3ccccc3)nc2C)ccc1OC 752903723 IBZJLUFFUZVXLF-SFHVURJKSA-N 436.537 5.130 30 20 IKED CC(C)c1nn(Cc2ccccc2)c(Cl)c1C=NNc1nc(C(F)(F)F)cs1 754704714 FOSDISBIHUYDBM-UHFFFAOYSA-N 427.883 5.630 30 20 IKED N#C[C@@H](C(=O)CCc1nc(C2CCCC2)no1)c1nc(-c2ccc(Cl)cc2)cs1 762070028 UIPMXWQLACENQY-INIZCTEOSA-N 426.929 5.313 30 20 IKED COC(=O)Nc1cc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)c1 763375125 HWMIOWNSIMEKHW-OAHLLOKOSA-N 446.212 5.185 30 20 IKED C=CCn1c(-c2cnccn2)nn(CN(C2CC2)[C@H](C)c2ccc3ccccc3c2)c1=S 764915851 PJVXEXMUDLODGA-GOSISDBHSA-N 442.592 5.393 30 20 IKED COc1ccc2cc([C@H](C)C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)ccc2c1 770839790 CBLPSQPFVCCERE-HJPURHCSSA-N 437.524 5.824 30 20 IKED N#Cc1cc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1N1CCC(O)CC1 771970156 OCKSFCWPZQQUJF-UHFFFAOYSA-N 443.391 5.169 30 20 IKED Cc1ccc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)cc1NC(=O)OC(C)(C)C 776911159 ZPLUXLUTOGWXLO-UHFFFAOYSA-N 437.584 5.667 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)[C@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 780168406 DIXAVZUMJNLUKC-IVZQSRNASA-N 440.927 6.242 30 20 IKED C=C[C@@](C)(CC)C(=O)OCc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1 785755147 URQFAJORYJBEQV-IBGZPJMESA-N 427.353 5.780 30 20 IKED C#CCn1ccc(CN(CC)C(=O)N[C@@H](c2ccc(CCCC)cc2)c2cccs2)n1 788857594 VTLUNUDSGPRPGU-DEOSSOPVSA-N 434.609 5.242 30 20 IKED N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(Nc3ccc(F)cc3)c3ccncc23)cc1 791582047 DFNQOAJUYDBBAB-LJQANCHMSA-N 435.462 5.310 30 20 IKED CC[C@H](NCc1ccc(OCC#N)cc1)c1ccc(Br)cc1C(F)(F)F 794812570 XLOVIQALFNJVIN-SFHVURJKSA-N 427.264 5.611 30 20 IKED COC(=O)Nc1cccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1C 798052491 IJVMZMMQEZRHAZ-UHFFFAOYSA-N 435.867 5.743 30 20 IKED N#C[C@@H](C(=O)C1CCN(Cc2ccccc2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 805854952 CUUXVCKKLSXPHI-NRFANRHFSA-N 435.980 5.552 30 20 IKED CC(C)(C)OC(=O)N1CCN(C(=S)Nc2ccc(C#N)c(Cl)c2)c2ccccc21 811709115 NXLNQRNRCUCGFZ-UHFFFAOYSA-N 428.945 5.170 30 20 IKED N#CCc1ccc(NC(=O)CSC2=NC(=O)/C(=C/c3csc4ccccc34)S2)cc1 814772441 AVMKODOYOVAJCJ-ODLFYWEKSA-N 449.582 5.310 30 20 IKED C=CCOc1cc(OC)ccc1-c1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1 904489449 HDSLGFIRZLVPRS-UHFFFAOYSA-N 438.487 5.375 30 20 IKED CCC(C#N)(CC)c1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1 904671516 ZJLVSEMTSPQIAS-UHFFFAOYSA-N 436.821 6.177 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CCCCC#N)c1nc(-c2ccccc2Br)no1 904961451 BUGQRWUNWIXOHC-HNNXBMFYSA-N 435.322 5.149 30 20 IKED O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)cnc1O 916390312 JEDSYGQKUWUJLI-OWOJBTEDSA-N 444.253 5.496 30 20 IKED CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)CSc1nc(C)c(C)c(C)c1C#N 916538246 RLXNHWJOPJBVTD-KDOFPFPSSA-N 439.581 5.055 30 20 IKED N#C[C@@H](C(=O)COc1c(Cl)cccc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 916654459 ZPVRGPRHPVKGFB-ZDUSSCGKSA-N 437.735 6.026 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1sc2cc(Cl)ccc2c1Cl 916924605 ABMMZBHUMQRNFI-CYBMUJFWSA-N 433.316 5.568 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916924961 CXHYANYXARCHPC-AWEZNQCLSA-N 444.331 5.084 30 20 IKED N#C[C@H](C(=O)Cc1coc2ccc3ccccc3c12)C(=O)Nc1ccc(Cl)cc1Cl 916927992 GFVSDKUHRPPWSU-QGZVFWFLSA-N 437.282 5.783 30 20 IKED O=S(=O)(c1ccc(NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1)C(F)(F)F 917059312 QMRYDGMTBZUBNB-RKDXNWHRSA-N 443.331 5.302 30 20 IKED FC(F)(F)c1ccc(-c2nc(C=Nn3c(S)nnc3-c3ccccc3)cs2)cc1 918709689 RJJZJBWICDTDIH-UHFFFAOYSA-N 431.468 5.258 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 919762368 SDNDZGGSEIGWPZ-UHFFFAOYSA-N 444.878 5.408 30 20 IKED N#CC1(NC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)CCCCC1 919811172 LEFAUFXFZPYEGP-UHFFFAOYSA-N 435.325 5.016 30 20 IKED COc1ccccc1SCc1nnc(N(C)C[C@@H](C)C#N)n1CC1CCC(F)(F)CC1 1300670214 VSPPWILBUSVEAT-INIZCTEOSA-N 449.571 5.000 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cn4cc(F)ccc4n3)CCC2)cc1 1785842155 RAHHHWGLVACYHL-UHFFFAOYSA-N 448.542 5.214 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)nc4ccccc34)CCC2)cc1 1785934869 GUYWOIZKRCQHSQ-UHFFFAOYSA-N 446.938 5.186 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CCc3cccc(C)n3)CCC2)cc1 1786102293 DLYZRXNLCDOHPO-UHFFFAOYSA-N 431.580 5.225 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4cccs4)CCC3)cc2)cc1 1790285642 MZWKBXBJHJSFBA-UHFFFAOYSA-N 429.545 5.000 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3F)cc2)CCC1 1790650282 WCAYIBYUJAXAHY-UHFFFAOYSA-N 447.432 5.142 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cc4c(Cl)cncc4s3)C2)CC1 1810253353 IYZAMOOZCURUMI-MRXNPFEDSA-N 446.016 5.007 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2)[nH]n1 1814829566 JAANVOYEFXSCKI-FQEVSTJZSA-N 426.948 5.137 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc(C(C)C)cs2)CC1 1824139347 LXKITVVZLFWKMU-JOCHJYFZSA-N 443.657 5.268 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C3CC3)cc2)CC1 1828827332 LJQBMSMJKXBNQW-UIOOFZCWSA-N 434.624 5.566 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)c1ccc(-c3ccc(Cl)cc3)o1)C2 1841057424 IXWYRENZUAJBAB-UHFFFAOYSA-N 440.971 5.409 30 20 IKED Cc1cccc(C)c1N/C(S)=C(/C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(N(C)C)cc1 11153642 NWONTMOCNSXTRV-UHFFFAOYSA-O 444.624 5.197 30 20 IKED C[C@@H](OC(=O)c1csc(-c2cccc(Cl)c2)n1)C(=O)Nc1ccc(C#N)c(Cl)c1 18588268 PLOQBFKFMJWEEK-LLVKDONJSA-N 446.315 5.173 30 20 IKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(N(C)C)cc2)c1 22729746 NMSUEQCUIAZMIS-UHFFFAOYSA-O 432.613 5.325 30 20 IKED O=C(/C(=C(\S)NCc1ccccc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccccc1 22730653 REMOIIGJVBFMJW-UHFFFAOYSA-O 437.588 5.294 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 26727656 AGOVQSLFXIOOJS-UHFFFAOYSA-N 439.496 5.807 30 20 IKED Cc1ccc(NC(=O)NC(=O)[C@H](C)Nc2ccc(Oc3ccccc3C#N)cc2)c(C)c1 72030817 UDYSLIFMRXUOHK-SFHVURJKSA-N 428.492 5.116 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N(Cc1ccccn1)c1ccc(Cl)cc1 108332987 AEHHWBYQGKVSSH-UHFFFAOYSA-N 435.911 5.008 30 20 IKED N#C[C@H](C(=O)c1cccc(OCc2cccc(Cl)c2)c1)c1nc(-c2ccncc2)cs1 195662789 JGCZPSBFUZKOBJ-OAQYLSRUSA-N 445.931 5.928 30 20 IKED CC(C)(C)c1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 255948488 LYKUKBNNKKKERH-UHFFFAOYSA-N 443.572 5.839 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)c1nc(-c2ccccc2)no1 302853079 WNACDOPJKACOOT-OAHLLOKOSA-N 437.500 5.086 30 20 IKED O=C(c1ccc(Oc2ccc(F)c(F)c2)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 303645663 CLPJLRJIRLICLG-UHFFFAOYSA-N 439.302 5.714 30 20 IKED C#CCOc1ccc(F)cc1NC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1 303853621 FBBVFPVMZHQWFY-UHFFFAOYSA-N 427.435 5.115 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCc1ccc2ccccc2n1 409601143 LGHLRPCOHOWMEV-UHFFFAOYSA-N 442.332 5.077 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1 426120123 NPRYETCHCQCVJY-UHFFFAOYSA-N 429.398 6.038 30 20 IKED CCC(C)(C)OCc1cccc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)c1C 428765391 JRUMAJNATHSNSP-UHFFFAOYSA-N 434.584 5.316 30 20 IKED N#CCSc1cccc(C(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)c1 429927105 RFVLPCCAVHDJND-UHFFFAOYSA-N 433.480 5.621 30 20 IKED C[C@@H](Oc1ccccc1NC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccccc1 432334970 LHPYOPJSWVUAPH-LJQANCHMSA-N 427.504 5.446 30 20 IKED CC1(C)CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)[C@H]1c1ccncc1 432677431 DGLPNJCXOGPFPH-DEOSSOPVSA-N 426.520 5.342 30 20 IKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1c(Cl)ccc(C)c1C 434019382 YRHIRVAJPUETQC-UHFFFAOYSA-N 437.721 5.007 30 20 IKED C=CCC[C@@H](NC(=O)[C@@H](C)SCc1nc(O)c2c(C)c(C)sc2n1)c1ccccc1 435301067 VVDCARBQISTEOI-SJLPKXTDSA-N 441.622 5.459 30 20 IKED COc1ccc(-c2ncc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)s2)cc1OC 435551541 MDMOVKSKEDFAPZ-UHFFFAOYSA-N 447.541 5.680 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H]3C[C@H](c4cccc(Cl)c4)C3)cc2)cc1 437032792 DLTUUNLXWVGSLJ-XGAFWQRZSA-N 445.906 5.005 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)Nc3cccc(OC4CCCC4)c3)cc2)cc1 437553459 BXTZXWWKRNFENH-UHFFFAOYSA-N 441.487 5.249 30 20 IKED Cc1ccc(Sc2nsc(NC(=O)c3occc3COc3cccc(C#N)c3)n2)cc1 440311121 DXYSQXDUGMFHPW-UHFFFAOYSA-N 448.529 5.294 30 20 IKED N#C[C@@H](NC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1cccc(Br)c1 446021631 QRCCIBAWKNXMRM-MRXNPFEDSA-N 441.222 5.020 30 20 IKED COCCN(C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccc(C#N)cc1 460348839 GRXXEMOHIGFMQS-UHFFFAOYSA-N 431.879 5.169 30 20 IKED Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@@H](C)CO1 460403806 JQOLLCKTUFJUPJ-FNZWTVRRSA-N 426.516 5.048 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC2(CCOCC2)[C@@H]1C 460951708 XNFPBTKEDFLCTI-RTWAWAEBSA-N 446.595 5.543 30 20 IKED N#Cc1cccnc1-n1cc(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cn1 461413305 MLUXVVDEORSRHO-UHFFFAOYSA-N 446.854 5.105 30 20 IKED Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)[C@H](C)c1cccc(C#N)c1 463967124 VJGFWTGVVNUOEP-GOSISDBHSA-N 440.522 6.346 30 20 IKED COc1cccc(/C=C(/CC(=O)N[C@@](C)(C#N)C(C)(C)C)c2nc3ccccc3s2)c1 464162391 APDMMBNRHWZQOV-GOHWTMFRSA-N 433.577 5.680 30 20 IKED CC(C)c1oc([C@@H]2CCCN2Cc2nnc(-c3cccc(C#N)c3)o2)nc1-c1ccccc1 471180796 AXTDHWDSDYOKQA-NRFANRHFSA-N 439.519 5.724 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1 472839788 MOPBTXMATGKGRN-TZIWHRDSSA-N 447.926 5.571 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cc2cccc(F)c2o1 475364531 DECRSIVEJWIYID-HNNXBMFYSA-N 443.434 5.052 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)C[C@@H](CC#N)c2ccccc2)nc1-c1ccccc1 476069647 BOZZWVZJGKQPRE-DHIUTWEWSA-N 427.548 6.216 30 20 IKED N#CC1(NC(=O)c2cc(-c3ccccc3)ccc2Cl)CCN(Cc2ccccc2)CC1 479211022 DYCZNLLNBSKYDF-UHFFFAOYSA-N 429.951 5.295 30 20 IKED N#C[C@H](C(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)c1cnc2ccccc2n1 483221227 RAPGMGKTKLXTTF-NRFANRHFSA-N 429.483 5.032 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)c1-c1ccccc1 488218579 PVYFGXFDVGRVJO-UHFFFAOYSA-N 445.429 5.182 30 20 IKED C=CCn1c(S[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)nnc1-c1cnccn1 488876294 GPXOTSQVZYLNEM-KRWDZBQOSA-N 442.548 5.027 30 20 IKED O=C(Nc1ccc(Oc2ccccc2F)nc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 490231623 RLAYNIIKDWZGNK-UHFFFAOYSA-N 437.315 5.362 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)NCC[C@H](c2ccccc2)C(F)(F)F)o1 490835146 QJSMBGRNPVADAU-LJQANCHMSA-N 428.410 5.196 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NCC[C@@H](c3ccccc3)C(F)(F)F)cc2)nc1 490849006 GCQAFQJFKNLVNN-FQEVSTJZSA-N 425.410 5.212 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2cccc(Br)c2)cc1)c1nc2ccccc2[nH]1 492071667 UYQURTHOPCODRS-GOSISDBHSA-N 432.277 5.608 30 20 IKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H]1OCCc2sccc21 494942939 ZYTZZIOZBNDLEO-BXKMTCNYSA-N 447.560 5.217 30 20 IKED CC(C)c1nc([C@H]2CCCCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)no1 501361261 KQYKHUXOXXICGL-JOCHJYFZSA-N 445.523 6.006 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1ccc(NC(N)=O)cc1 502494539 ASRDWUMVTSOEFU-MRXNPFEDSA-N 429.480 5.032 30 20 IKED COc1cc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc(OC)c1OC 502622660 NMLBGFXEVVMQSB-UHFFFAOYSA-N 447.491 5.001 30 20 IKED C[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 502636936 SQCSARQAERSKJV-MUUNZHRXSA-N 439.559 5.917 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1 502676181 APMMWIKKUFCPSF-UHFFFAOYSA-N 432.446 5.632 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1c(F)ccc(Br)c1F 503352466 CKOKSYUQYQSBQH-NSHDSACASA-N 425.298 5.160 30 20 IKED C[C@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1ccc(Oc2ccccc2)c(F)c1 504075577 LIFMXPHIHRVTJW-FYSMJZIKSA-N 426.488 5.057 30 20 IKED N#C[C@H](NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)c1cccc(Br)c1 506537559 KPMJMBMIHMFDDV-ORBWHLTESA-N 441.291 5.279 30 20 IKED Cn1c(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)nnc1N1CCC(C#N)CC1 508414766 IMSDAPRUTVKUOS-UHFFFAOYSA-N 428.927 5.091 30 20 IKED C=CCn1c(C2CCC2)nnc1N1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 508905161 YRYVTLXFESNKOI-SFHVURJKSA-N 435.597 5.248 30 20 IKED CCN(C[C@@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)CC2 509722998 CCUSFWZMYFSMLT-XTFSCAMASA-N 425.532 5.352 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F 511694422 BMAUTXRPEFHFCP-PKOBYXMFSA-N 429.536 5.177 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F 511872735 JDEUKPONBXQBJV-MJGOQNOKSA-N 429.536 5.034 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)c1cc(C)n(CC(F)(F)F)c1C 512035712 WVCGRWYHRMSCSP-UHFFFAOYSA-N 448.514 5.011 30 20 IKED COc1c(C)cc(CN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1C 513983550 QJUSESKRYZWOFC-UHFFFAOYSA-N 443.547 5.621 30 20 IKED Cc1c(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cccc1C(=O)N1CCCC1 517363224 DDTBEWYLUKPXAW-UHFFFAOYSA-N 443.478 5.286 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 517467923 AQHQLEWCZAXLHB-GJZGRUSLSA-N 449.498 5.115 30 20 IKED C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(OCc2cccnc2)cc1 518169437 OYNMIGFJVBQWIZ-MOPGFXCFSA-N 446.576 5.795 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(I)c(F)c1 518239455 DVFXWXZCPXOKKE-LLVKDONJSA-N 440.281 5.077 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C 519670852 IUSJREHLFUOCFE-UHFFFAOYSA-N 448.832 5.475 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1sccc1Br 520819400 YPADYRBUFCDVHX-LBPRGKRZSA-N 441.441 5.634 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H](CC(F)(F)F)c1ccccc1C 521501743 ZBLIVEHGXYDKNB-MRXNPFEDSA-N 444.906 5.034 30 20 IKED CCO[C@H](C)c1nc(CC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cs1 522670486 QOLYRFIVAXTWPW-QGZVFWFLSA-N 437.540 5.023 30 20 IKED CN(CCCc1nc2ccccc2[nH]1)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 524198557 VIJCRUWJYKKABO-UHFFFAOYSA-N 444.922 5.585 30 20 IKED Cc1nc(NC(=O)c2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)sc1SCC#N 524943232 ZMKWGQKZTJBUCB-UHFFFAOYSA-N 438.578 5.804 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCSC[C@@H]1c1ccc(Cl)cc1 533300931 WWQYPLOHYLKYPF-OXQOHEQNSA-N 446.041 5.463 30 20 IKED COc1ccc2ccccc2c1-c1cc(CNc2ccccc2S[C@@H](C)CC#N)on1 539755345 MHBYCURCVNWTDR-KRWDZBQOSA-N 429.545 6.510 30 20 IKED C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(-c2cccnc2)cc1 540432925 IZTFDUYXZASHFQ-KRWDZBQOSA-N 430.577 5.240 30 20 IKED C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ncc(-c2ccccc2)o1 541641052 WMKHHGGNKSUJAT-INIZCTEOSA-N 434.565 5.223 30 20 IKED N#Cc1ccc(CN(C(=O)NCc2cccc(COCc3ccccc3)c2)C2CC2)cc1 542421756 HUELGZWSFCDIIP-UHFFFAOYSA-N 425.532 5.149 30 20 IKED N#Cc1cccc(-c2nnc(N3CCC(c4ccc(Cl)cc4)CC3)n2C[C@H]2CCCO2)c1 549887666 FTTDFQSWJCQDEY-HSZRJFAPSA-N 447.970 5.033 30 20 IKED CCn1c2ccccc2c2cc(NC(=O)C(=O)N[C@H](CCCC#N)c3ccccc3)ccc21 551830886 IZWOLDZZCSQUNX-HSZRJFAPSA-N 438.531 5.304 30 20 IKED Cc1c(C(=O)N2CCC(C#N)(c3ccccn3)CC2)sc2ccc(Br)cc12 552184724 SFBPDAWIUJAQMS-UHFFFAOYSA-N 440.366 5.065 30 20 IKED Cc1cccc(-c2cccc(CNC(=O)C(=O)Nc3ccccc3S[C@@H](C)CC#N)c2)c1 553680340 LPQKCZSCWUOWDX-IBGZPJMESA-N 443.572 5.311 30 20 IKED N#C[C@H](C(=O)c1ccc(Cl)c2ncccc12)c1nc(-c2c(F)cccc2F)cs1 555074464 RJCPBQIHCFFWKL-CYBMUJFWSA-N 425.847 5.780 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccccc1CSc1nc2ccccc2o1 561225156 BZCXTSNKHPNVQB-UHFFFAOYSA-N 448.544 5.424 30 20 IKED CCc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccc(Oc3ccnc(C#N)c3)cc1)CCC2 565138261 GULSEHUGLFTQBC-FQEVSTJZSA-N 433.537 5.306 30 20 IKED C=CCn1c(-c2cccc(OC)c2OC)nnc1N1CCC[C@H]1c1nc2ccccc2s1 576151009 RXKYAGQAVZDBFD-SFHVURJKSA-N 447.564 5.100 30 20 IKED COc1cc(C(=O)Nc2ccccc2CC#N)ccc1OCc1ccc(Cl)cc1Cl 576785493 ZFNOPRXHRUTMIW-UHFFFAOYSA-N 441.314 5.899 30 20 IKED COc1ccc(OC)c([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1 603690903 SQYAYBUUGOXJFB-QFIPXVFZSA-N 444.491 5.132 30 20 IKED COc1cc([C@@H](C)NC(=O)c2ccc(COc3ccccc3C#N)o2)ccc1OC(C)C 603877777 UGYQIYNEFPTIFU-QGZVFWFLSA-N 434.492 5.017 30 20 IKED N#Cc1c(NC(=O)Cc2csc(-c3cccc(F)c3)n2)sc2c1-c1ccccc1CC2 603992291 PKECNWJDQVASTB-UHFFFAOYSA-N 445.544 5.829 30 20 IKED C[C@H](CC(=O)c1ccccc1F)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 608110361 SICTZHGTGQIEAN-NDBYEHHHSA-N 427.360 5.060 30 20 IKED CCOc1ccc([C@H](NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c2ccccc2)cc1 608918119 FMURIRAMMKUWNF-AREMUKBSSA-N 427.548 5.667 30 20 IKED C=C(C)COc1cccc(NC(=O)[C@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)c1 608947421 WLRQPQMEQLQRHY-HNNXBMFYSA-N 443.594 5.229 30 20 IKED CCOc1cc(C#N)cc(Br)c1OCc1nc(-c2ccc(Cl)cc2)no1 608991882 PQFBOUAXZLEOGI-UHFFFAOYSA-N 434.677 5.002 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H](c3ccccc3)CC2)cc1 608995442 QAOAYBZLEAPBRG-XMMPIXPASA-N 439.559 6.133 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)cc2F)c1 609109750 ALMNCQWFDLOSDT-UHFFFAOYSA-N 448.454 5.015 30 20 IKED CCC(CC)CN(CCC#N)C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 609189532 WFFRLQQERQWRIV-UHFFFAOYSA-N 446.345 5.086 30 20 IKED Cc1cc(C)c(NC(=O)[C@@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(C)c1 609387325 XJRJAMAXDLJDTJ-MRXNPFEDSA-N 435.515 6.076 30 20 IKED COc1ccccc1SC[C@@H](C)CNC(=O)Nc1ccccc1SC[C@@H](C)C#N 609401962 NHBALDSPNVGRBQ-IRXDYDNUSA-N 429.611 5.497 30 20 IKED COc1cc(Cl)ccc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C 609542129 OERPTXQACRZBIM-UHFFFAOYSA-N 444.915 5.063 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C)ccc1SCC(F)(F)F 609932806 MAYKSCLWISDVAZ-UHFFFAOYSA-N 439.459 5.778 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(F)ccc1SCC(F)F 610019562 IUFTYKGNSMQTBC-UHFFFAOYSA-N 425.432 5.311 30 20 IKED CCCn1c(SCc2nnc(-c3cccc(C#N)c3)o2)nnc1-c1ccc(Cl)cc1 610218501 ZJPCMFRYZPZMNQ-UHFFFAOYSA-N 436.928 5.222 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3c(F)c(F)cc(F)c3F)c2)cc1 610629260 ULWHFEZMTCAHIW-UHFFFAOYSA-N 443.400 5.210 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 610632305 RTGSIAZAGMIPTJ-HNNXBMFYSA-N 433.499 5.664 30 20 IKED C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 611556586 OCLCVZLBNOEHFB-QFBILLFUSA-N 431.458 5.526 30 20 IKED COc1ccccc1OCc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)o1 613407390 RRRVWSSISJUXBL-HNNXBMFYSA-N 438.892 5.620 30 20 IKED C[C@H](c1cc(F)ccc1F)N(C)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 616090255 SISNFPWSENOPDO-VWYCJHECSA-N 432.355 5.577 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 616154512 YAEPKZKKHMDGGX-UHFFFAOYSA-N 439.959 5.042 30 20 IKED O=C(Nc1cc(Cl)ccc1C(F)(F)F)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 672811664 CRZAOXIFSARTCG-DTORHVGOSA-N 428.682 5.563 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2ccc(OC)cc2)c(C)s1 726755607 RNDQSSPZXQLNKP-UHFFFAOYSA-N 427.529 5.481 30 20 IKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1cnc(-c2ccccc2)s1 727253928 NPQROFUXPABQOO-UHFFFAOYSA-N 427.558 5.317 30 20 IKED N#CCOc1ccc(CNC(=O)Nc2ccc(Oc3ccc(F)cc3)c3ccncc23)cc1 727938778 NULTWJWWIQIGAD-UHFFFAOYSA-N 442.450 5.390 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])cc2Cl)c1 728000170 WMKMNEJEJZBMOI-UHFFFAOYSA-N 425.803 5.090 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1ccc(N(C)C)cc1 728061988 FMUMDNIHPFKWFG-QGZVFWFLSA-N 448.954 5.296 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCC3)cc1 730214312 DFWZZABCLRCDQR-UHFFFAOYSA-N 439.346 5.537 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1COc1ccc(Cl)cc1 731116389 NLGZRRKWLGTFKH-WMZOPIPTSA-N 429.973 5.667 30 20 IKED O=C(/C=C/c1ncc(-c2ccc(Br)cc2)[nH]1)c1ccc(Cl)c([N+](=O)[O-])c1 732713925 NYBKYDBPGCKKAE-BQYQJAHWSA-N 432.661 5.297 30 20 IKED C#CCN(C(=O)Nc1c(CC)cccc1CC)[C@@H]1CCOc2ccc(Br)cc21 733615149 UHITXSRJCZXJAD-HXUWFJFHSA-N 441.369 5.565 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Cc2csc(-c3ccccc3Cl)n2)c1 733771400 VBOFRFUWDDPHBU-KRWDZBQOSA-N 425.941 5.003 30 20 IKED N#CCOc1ccc(Cl)cc1CSc1nnc(-c2ccncc2)n1Cc1ccccc1 735230484 CNYZOYAMONBJEX-UHFFFAOYSA-N 447.951 5.236 30 20 IKED CC(C)c1ccccc1-n1c(-c2cccnc2)nn(CN(CC#N)C2CCCC2)c1=S 738256587 KVBBALCVUXESQB-UHFFFAOYSA-N 432.597 5.314 30 20 IKED C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 739160767 WCKDPULTNOANTO-IFXJQAMLSA-N 439.462 5.756 30 20 IKED N#Cc1ccc(-c2cccc(CNCc3c(-c4ccccc4)nc4sccn34)c2)s1 740022600 LXJYKTVFDKCTQZ-UHFFFAOYSA-N 426.570 5.953 30 20 IKED C#CCOc1ccc(F)cc1NC(=O)c1sc(COc2ccc(Cl)cc2)nc1C 741643589 IODBJWUUYUIQOK-UHFFFAOYSA-N 430.888 5.087 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=S)N[C@H]2CCc3ccccc3C2)cc1 742992605 LIZBGUQPIDPMCG-NRFANRHFSA-N 429.545 5.203 30 20 IKED Cc1c(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cnn1-c1ccccn1 748441216 JSRDMSSRWSRWCC-TWGQIWQCSA-N 434.839 5.293 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)cc1 749122648 MOCXNSOVSVPTBV-QFIPXVFZSA-N 446.432 5.799 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccnc(Oc2ccccc2)c1 749338813 TWONDFKQDXSCCV-SFHVURJKSA-N 439.443 5.150 30 20 IKED CN1C(=O)CCc2cc(C(=O)/C=C\c3csc(-c4ccc(C(F)(F)F)cc4)n3)ccc21 754689962 NKZQSSBQQIGONY-NTMALXAHSA-N 442.462 5.634 30 20 IKED CC(=NNc1ccc(C(F)(F)F)nn1)c1cnn(-c2ccc(Cl)cc2Cl)c1C 754708638 DROVWROAMHSHFA-UHFFFAOYSA-N 429.233 5.132 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)c1-c1ccccc1 758117210 AVWVUWLAFRBIGH-UHFFFAOYSA-N 433.943 5.360 30 20 IKED O=C(/C=C/c1cc(Br)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)nc1O 759076043 KWZHJKBUFLMZCA-HNQUOIGGSA-N 440.137 5.483 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CC[C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)cc1 759213788 SXDQFSHZORKAOQ-IEBWSBKVSA-N 439.581 5.332 30 20 IKED N#CCOc1cccc(CC(=O)Nc2ccc(Nc3ccc(F)cc3)c3ccncc23)c1 760454815 LTPIJPRQJDHIPM-UHFFFAOYSA-N 426.451 5.201 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl 761628166 HOJHPTCDYBCVCW-OAHLLOKOSA-N 435.380 5.315 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 761664620 JJGYGYFKMNHLFO-OAQYLSRUSA-N 425.410 5.112 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)ccc1OC 772983810 APSXRDBPSOUYRN-ZEQRLZLVSA-N 436.502 5.728 30 20 IKED C=CCCC(=O)Nc1ccc(COC(=O)c2sc(NC(=O)c3ccco3)cc2C)cc1 774571677 ZJHWMHWKJVBVJK-UHFFFAOYSA-N 438.505 5.164 30 20 IKED Cn1cc(CNc2ccc(OCc3ccccn3)c(Cl)c2)c(-c2ccc(C#N)cc2)n1 778102400 DYPAMIIYWKZNGM-UHFFFAOYSA-N 429.911 5.198 30 20 IKED C[C@@H](OC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1)C(C)(C)C#N 784902785 XVXRVVJTEJTWNU-CQSZACIVSA-N 429.542 5.176 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccsc3)N(Cc3ccco3)C2=O)c1 790736586 IZUKWGPKGLVZAY-IBGZPJMESA-N 439.562 5.118 30 20 IKED N#C[C@@H](C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)c1nc(-c2c(F)cccc2F)cs1 802059486 XGVRPTDQBJRHSG-YVEFUNNKSA-N 440.368 5.994 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)n1 805891644 WBEMIINQGSCJOM-PKOBYXMFSA-N 441.597 5.735 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c(O)c1 811612615 FIHGBDGKHJPSBX-UHFFFAOYSA-N 446.463 5.050 30 20 IKED N#C[C@@H](C(=O)CCCSc1ccc(Br)cc1)c1cc(C(F)(F)F)ccn1 813215267 VNQHSZWMEQAFBT-OAHLLOKOSA-N 443.288 5.612 30 20 IKED CC(C)(C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 883978211 ICTROPJWIOEWBW-BETUJISGSA-N 435.330 5.572 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(N[C@H](C(=O)NCc2ccccc2)c2ccccc2)cc1 915223670 UQMQCTKOGATBDY-NSOVKSMOSA-N 431.539 5.812 30 20 IKED O=C(O)C(=O)/C(=C\c1ccc(-c2nc3ccccc3s2)o1)c1ccc2ccccc2n1 916138207 XMQACKPOOSIFRZ-SSZFMOIBSA-N 426.453 5.299 30 20 IKED COc1ccc(/C=C/C(=O)c2ccc(Br)cc2Br)cc1OC 916140100 ANKHKORHOKCLTA-XVNBXDOJSA-N 426.104 5.125 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 916975028 VDUPAKAGNIIXLF-IBGZPJMESA-N 431.517 5.034 30 20 IKED Cc1csc(SCc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc2)n1 917026103 WJMRKQRTMJKICG-LJQANCHMSA-N 447.610 6.357 30 20 IKED Cc1cc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1Cl 917042918 IAJNBJTYZFXLHU-SMDDNHRTSA-N 438.858 5.921 30 20 IKED Cc1nc(C)c(-c2csc(NC(=O)c3ccc(COc4ccccc4C#N)o3)n2)s1 917188796 RBZDAXHMMPPOFC-UHFFFAOYSA-N 436.518 5.179 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)Cc2csc3ccccc23)n(C2CCCC2)c1C 919370256 JYKWSNUWRMUEAT-UHFFFAOYSA-N 435.549 5.031 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN[C@H](c2ccc(F)cc2)C(C)(C)C)c1=S 919941534 ISBZEGCZOLCIMV-OAQYLSRUSA-N 440.588 5.749 30 20 IKED CCCCc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 920140476 CWWUKVANTHKYLM-JOCHJYFZSA-N 441.556 5.864 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)CCC1 1785786978 IJZCPSWHHKEGTB-UHFFFAOYSA-N 441.531 5.283 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)CCc3cc(C)cs3)cc2)CCC1 1786864097 ZYYBWIYQEUKXCT-UHFFFAOYSA-N 428.623 5.042 30 20 IKED CC(C)n1cc(C(=O)Nc2ccc(C3(NC(=O)CCC#N)CCC3)cc2)c(C(F)(F)F)c1 1788728516 ZWGAAHMQZMCRNR-UHFFFAOYSA-N 446.473 5.139 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4nccc-4c3)CCC2)cc1 1789451215 BCMNRWMTILBWFM-QFIPXVFZSA-N 428.536 5.031 30 20 IKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3cccc(F)c3)cc2)CCC1 1790260786 SIKLGCZBDLJJAV-VAWYXSNFSA-N 448.519 5.074 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc(OCC)c3O)cc2)CCC1 1790771459 NKJWTPGIWXUHDN-OAQYLSRUSA-N 448.563 5.307 30 20 IKED C[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1)c1cccs1 1791815778 LJRYFCVJKMCXBW-GOSISDBHSA-N 443.572 5.366 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cc(Cl)ccc3F)C2)CC1 1805140069 VZOUUSXYFASMOH-IBGZPJMESA-N 432.967 5.092 30 20 IKED N#CCC(=O)N1CCCC2(CCN(C(=O)CCCCCCCCc3ccccc3)CC2)C1 1809026288 WFBIDCNVOJJXFL-UHFFFAOYSA-N 437.628 5.105 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)CCCCC)[C@@H]1c1cccnc1 1812694912 YDYKZQFRDHCVMV-HUVFLSCGSA-N 425.617 5.072 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)cc2F)CC1 1830470634 WLKMVDVMSDCZPY-ZJSXRUAMSA-N 426.576 5.136 30 20 IKED CCCCC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1831466052 LWXMFUBCCJPESB-PXDATVDWSA-N 437.628 5.202 30 20 IKED COc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2cccc(C)c2)cc1 10763622 HFIAZIDTNGGJCG-UHFFFAOYSA-O 429.924 5.135 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccc(C)c(F)c2)cc1 11083153 DAZGMNAMMXTQHQ-UHFFFAOYSA-O 435.588 6.158 30 20 IKED C=CCNc1nnc(S[C@H](C)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)s1 11526739 PKPVJJGHBXDCHZ-SECBINFHSA-N 433.609 5.016 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl 32785808 BVGZSXQKBGGPRY-KRWDZBQOSA-N 441.000 5.444 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1cc(Cl)ccc1C 32786525 TTWSLGKXOBWMIK-MRXNPFEDSA-N 426.973 5.136 30 20 IKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1Cl 33147575 SDRYREFATDMBNH-UHFFFAOYSA-N 444.112 5.044 30 20 IKED COc1ccccc1Oc1ccc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)cc1 58536372 XQMXQZGLPKWONE-UHFFFAOYSA-N 442.519 5.103 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 62906063 JAKDILCSUFESMK-UHFFFAOYSA-N 426.303 5.657 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C 63391946 HXJPUYOVSIFVAX-UHFFFAOYSA-N 439.519 5.731 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)CSCc2coc(-c3ccccc3)n2)cc1 107882212 MFTDLMIQORJRNJ-UHFFFAOYSA-N 445.466 5.038 30 20 IKED C=CCn1c(-c2sc(NC(=O)c3oc4c(C)cccc4c3C)nc2C)n[nH]c1=S 108828841 WGJPZIWAKOZPJW-UHFFFAOYSA-N 425.539 5.174 30 20 IKED COCCOc1ccc(C(=O)/C=C\c2ccc(-c3nc4ccccc4s3)o2)cc1OC 213187412 OKYXLGWIUDBFBH-NTMALXAHSA-N 435.501 5.486 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)c1cccc([N+](=O)[O-])c1 302768447 SEXZGBMCDSMYFF-CQSZACIVSA-N 430.917 5.458 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2 302949035 MDOBKLOSPVERFO-OAHLLOKOSA-N 442.544 5.448 30 20 IKED C[C@@H](CCNC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1cccc(C(F)(F)F)c1 428651865 ZFLCZPWBSTYOFN-KRWDZBQOSA-N 440.469 5.406 30 20 IKED COc1ccc(C[C@@H]2CCCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)C2)cc1 437531601 APGHVSONUMUPFV-NRFANRHFSA-N 446.576 5.101 30 20 IKED CC[C@@](C)(NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1nc(C)cs1 437979330 OQKDFODADCWQQI-XMMPIXPASA-N 434.565 5.658 30 20 IKED COc1ccccc1-c1ccc([C@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 438054129 XAZLWWAMCPOTAY-MOPGFXCFSA-N 445.588 6.639 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)Nc2cccc(Cl)c2Oc2cccnc2)c1 439343420 INFHSXQCTBCMLL-UHFFFAOYSA-N 437.883 5.059 30 20 IKED C[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 439556403 FHSWATIKWBCUCR-LJQANCHMSA-N 442.494 5.024 30 20 IKED N#CCC[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1ccccc1 439662026 AJWSXSLBVQUJRC-IBGZPJMESA-N 430.360 5.821 30 20 IKED N#Cc1ccc(-c2nnc(CN(Cc3ccccc3OC(F)(F)F)C3CCCC3)o2)cc1 441513338 RXSJHVQHWSSQRO-UHFFFAOYSA-N 442.441 5.452 30 20 IKED Cn1c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc2cc(C(F)(F)F)ccc21 442670770 JOPMPRCNZRTMJQ-CYBMUJFWSA-N 433.842 5.950 30 20 IKED CCO[C@@H](C)c1ncc(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)s1 443875830 FLNIGDPHPWLCBE-HNNXBMFYSA-N 425.941 5.613 30 20 IKED C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1c(F)cc(C#N)cc1F 446068471 CXKMIULGXUTJFA-STQMWFEESA-N 431.870 5.145 30 20 IKED C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCc2cc(Cl)cc(Cl)c2[C@@H]1C 460964445 UDXPSOJIBXOEJC-GJZGRUSLSA-N 439.387 5.009 30 20 IKED CCCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 461524483 OSHLYIKOQNRWJA-CLOONOSVSA-N 431.511 5.196 30 20 IKED Fc1cc(NCc2nc(CC(F)(F)F)no2)ccc1Oc1ccc(C(F)(F)F)cn1 462236984 XCWMXIHKSHBVSB-UHFFFAOYSA-N 436.287 5.132 30 20 IKED Cc1cc(Cl)c2ccccc2c1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 462852194 CPUADJGDBNIMPJ-UHFFFAOYSA-N 432.955 5.413 30 20 IKED N#C[C@@H](C(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1)c1nc2cc(Cl)ccc2s1 464509416 ICUZCVFPYYLBCC-ZDUSSCGKSA-N 444.850 5.431 30 20 IKED Cc1c(Cl)cc(NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)cc1Cl 465454322 SMTMSGPHCAIIMJ-UHFFFAOYSA-N 444.278 5.240 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 470597399 FHLIAIWCEWDQKU-OAQYLSRUSA-N 443.469 5.440 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1cnc2ccccc2c1 470890039 UZFDZZZRFLOTMR-UHFFFAOYSA-N 429.467 5.831 30 20 IKED Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)c(C(F)(F)F)o1 472342168 YYHDOQMUXZUBJU-UHFFFAOYSA-N 433.320 6.235 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)n1 474428770 DGWQPQIQUBKRGU-OAHLLOKOSA-N 428.508 5.653 30 20 IKED N#CC[C@H](CC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)c1ccccc1 475312680 CTCVPJOODPMJFD-GOSISDBHSA-N 440.330 5.229 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(O)c(C(F)(F)F)c2)cc1C 476158316 MOTUKASJCSTBKR-UHFFFAOYSA-N 428.414 5.057 30 20 IKED CCS(=O)(=O)c1ccccc1Oc1ccc(NCCCOc2cccc(C#N)c2)cc1 477626211 LQTSDJZWMYADDR-UHFFFAOYSA-N 436.533 5.025 30 20 IKED N#Cc1ccc2c(c1)CCCC[C@@H]2NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 481931177 ZDTNLJZWDKKJIR-SANMLTNESA-N 426.564 5.235 30 20 IKED N#C[C@H](C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1nccc2ccccc12 483215015 ZZBKKQWKPMKGAZ-IBGZPJMESA-N 439.475 5.173 30 20 IKED CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)cc1 483271593 QATDSEYUXMEHLA-LJQANCHMSA-N 440.547 5.590 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H]2SCCc3ccccc32)cc1 487867355 DLAQCMIZJVHUQC-DEOSSOPVSA-N 430.598 5.611 30 20 IKED CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 488092519 FAJIPSHUJMLZRQ-PMERELPUSA-N 438.936 5.014 30 20 IKED Cc1cc(Br)ccc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 490428603 BZGVZODNARJASJ-UHFFFAOYSA-N 434.293 5.134 30 20 IKED CN(C)C(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c(Cl)c1 490480802 PSKQOGDYBBYTAR-UHFFFAOYSA-N 434.883 5.350 30 20 IKED Cc1cccc2[nH]cc(CCNC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c12 491551420 RKEMFEJNXPDIKE-UHFFFAOYSA-N 438.531 5.486 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H]3C3CCC3)s2)c(C(F)(F)F)c1 496335054 YZZGAYXQWSEKCO-GOSISDBHSA-N 434.487 5.421 30 20 IKED C=CCc1cc([N+](=O)[O-])ccc1OCc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 498095143 PDXFPVXULWGLAZ-UHFFFAOYSA-N 437.521 5.660 30 20 IKED C=CCn1c(SCc2ccc(OCc3cccnc3)cc2)nnc1-c1ccc(OC)cc1 499352892 UVIAKNNEGOJJPK-UHFFFAOYSA-N 444.560 5.406 30 20 IKED CN(C(=O)c1cccc(NCc2cn(CCC#N)nc2-c2ccccc2)c1)c1ccccc1 500992302 BLAVWFBIQJJLNC-UHFFFAOYSA-N 435.531 5.352 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)n2)c1 501099671 GGZCKWQBFQCPOB-UHFFFAOYSA-N 439.422 5.139 30 20 IKED Cc1ccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c(-c2nc(C3CC3)no2)c1 503470519 ATTAUJZTGBCMPB-UHFFFAOYSA-N 425.492 5.115 30 20 IKED CCOc1cn(-c2ccccc2)nc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 503549452 DXFXPUGDCDYXIU-SFHVURJKSA-N 448.935 5.538 30 20 IKED CC(=O)Nc1ccc(F)c(NC(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1 506277016 IITVQCLAVIWKEX-OAHLLOKOSA-N 437.315 5.228 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 509580158 PIIRZZSHUAZSFJ-MRXNPFEDSA-N 445.479 5.074 30 20 IKED CCN(C[C@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2 509724835 PUWKORYBOOVYNC-UEXNTNOUSA-N 439.515 5.072 30 20 IKED C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1nc2ccccc2[nH]1 509851460 HXBVJMPCACSDCL-KRWDZBQOSA-N 425.492 5.091 30 20 IKED O=[N+]([O-])c1cc(F)c(CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(F)c1 510768354 XSPRCHWCNVQFCI-HNNXBMFYSA-N 428.279 5.675 30 20 IKED Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3cccc(Oc4ccc(Cl)c(Cl)c4)n3)nc12 511885348 PKEJYRZOUOQPRE-CYBMUJFWSA-N 438.274 5.251 30 20 IKED N#Cc1ccccc1CSCCNC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 514539205 ROIIUOIODFVWBG-WOJBJXKFSA-N 433.602 5.267 30 20 IKED CC1CCN(Cc2csc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)n2)CC1 521165887 DEULRGLBAAAYGJ-UHFFFAOYSA-N 446.576 5.486 30 20 IKED CC(C)c1noc(CCCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1 521211350 HDVBIFHOLXPOKN-UHFFFAOYSA-N 439.903 5.265 30 20 IKED C[C@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1ccc(NC(=O)NC2CC2)cc1 523122202 PMTYYRRMMZTFGW-KRWDZBQOSA-N 439.519 5.077 30 20 IKED COc1c(C)cnc(CN(C)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1C 523947844 GTJRIRFHJJTQFS-UHFFFAOYSA-N 435.911 5.297 30 20 IKED C[C@@](C#N)(CCc1ccccc1)NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 531648310 PLHYGBASCRJMIK-QHCPKHFHSA-N 439.437 5.538 30 20 IKED COc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1-c1ccccn1 534358711 GSUDWSBVPJADOZ-UHFFFAOYSA-N 435.483 5.982 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1-c1ccccn1 535109906 HIOJVNRPGXNYBN-MRXNPFEDSA-N 447.466 5.649 30 20 IKED Cc1ccc2nc([C@@H]3CCCN(CC(=O)Nc4ccccc4S[C@H](C)CC#N)C3)[nH]c2c1 539219379 HVNREDNVHAHQGQ-RTBURBONSA-N 447.608 5.084 30 20 IKED CCOc1ccc([C@@H](NC(=O)Nc2cc(C)n(CCC#N)n2)c2cccc(Cl)c2)cc1 539717696 HKSBGTWVRLMLEC-JOCHJYFZSA-N 437.931 5.068 30 20 IKED O=C(CCC(=O)c1ccc(F)cc1F)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 540549180 RDIKMPUGZUBIQO-KRWDZBQOSA-N 439.302 5.366 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)c1ccccn1 540947297 REZQBHVIVHUWGU-IBGZPJMESA-N 428.289 5.549 30 20 IKED CCCc1c(NC(=O)c2cc(C3CC3)nc(SC)c2C#N)cnn1-c1cccc(F)c1 542418855 MCWCGMTVIVTBQT-UHFFFAOYSA-N 435.528 5.082 30 20 IKED C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@]2(CCCOC2)C1 549285518 KYGDACHAMZDTRM-JOCHJYFZSA-N 433.021 5.197 30 20 IKED Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCC(Oc3cccc(C#N)c3)CC2)c1 552514537 FXKDVWRCTRZYDT-MHZLTWQESA-N 439.559 5.398 30 20 IKED Cc1cc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)ccc1Oc1ccncc1 552531671 MXLANLOJQNZZQQ-UHFFFAOYSA-N 430.483 5.048 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cc1 554437943 UJDVTWYUOXOLGJ-ISJGIBHGSA-N 429.564 5.301 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 555012396 XVCBRRRUONHNEE-UHFFFAOYSA-N 446.477 5.279 30 20 IKED Cc1cccc2sc(N(Cc3ccccc3)C(=O)CN(CCC#N)Cc3ccco3)nc12 557052431 LEVUDYWIIVMORQ-UHFFFAOYSA-N 444.560 5.147 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)Nc3ccc(OCC4CCOCC4)cc3)cc2)ccn1 562105492 QNZZBLLHSYNWAR-UHFFFAOYSA-N 444.491 5.195 30 20 IKED Fc1cccc(OC(F)(F)F)c1CNCc1cccc(-c2nc(CC(F)(F)F)no2)c1 572566514 OLQRBFZDOSTSNM-UHFFFAOYSA-N 449.326 5.169 30 20 IKED Cc1cccc(C(=O)Nc2ccccc2C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c1 592973287 BXKZRPMMSCRRKZ-GOSISDBHSA-N 429.476 5.486 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCc2cccc(C(=O)NCc3ccco3)c2)n1 603948087 YFUXCORJNWVPJT-UHFFFAOYSA-N 431.439 5.096 30 20 IKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604499934 QYIXTAIGRVCYIX-OAHLLOKOSA-N 440.425 5.989 30 20 IKED C=CCn1c(SCc2csc([C@H](C)OCC)n2)nnc1-c1ccc(C(C)(C)C)cc1 605903245 IYMUIUXOSRYRFZ-INIZCTEOSA-N 442.654 6.275 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609062975 NOIHLBOTBFCRJA-MRXNPFEDSA-N 431.879 5.068 30 20 IKED CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 609306794 BSBGOBUBBCHURE-UHFFFAOYSA-N 431.511 5.214 30 20 IKED COc1ccc(-c2nc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)sc2C)cc1 609496150 CLYZUVFHYMWYRR-UHFFFAOYSA-N 442.500 5.438 30 20 IKED COc1ccc2[nH]cc(CCNC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)c2c1 609602260 XQCXIBKBTRYYED-UHFFFAOYSA-N 426.476 5.205 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)c1 609723598 KQBXORUZZWGYEJ-UHFFFAOYSA-N 442.906 5.179 30 20 IKED CCO[C@@H](C)c1nc(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cs1 609753665 HMZPGNHIHCVOIZ-KBPBESRZSA-N 431.627 5.506 30 20 IKED CCOC(=O)CCC1CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 611189936 KETIPMZLZVNIMN-UHFFFAOYSA-N 440.927 5.199 30 20 IKED O=C(c1cc(Cl)cc(F)c1Br)N(CCC(F)(F)F)CC(F)(F)F 671224974 XSFFQDHGNKNRGI-UHFFFAOYSA-N 430.545 5.199 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)c3ccc(OC(F)F)cc3)o2)cc1 676074765 BJKFNMBOGFRESK-CYBMUJFWSA-N 432.448 5.266 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(OC(F)F)c1 682766264 SMTNKVJGWNQZGW-GFCCVEGCSA-N 442.365 5.415 30 20 IKED Cc1ccc(-n2c(Cc3cccc4ccccc34)nn(CN(C)CC#N)c2=S)c(C)c1 725772543 RYEHTRPKPRMPTH-UHFFFAOYSA-N 427.577 5.177 30 20 IKED COc1cccc(-c2nc(/C=C/C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)cs2)c1 727267271 FFJKOMPJIGIGJR-BQYQJAHWSA-N 439.449 5.148 30 20 IKED O=C1/C(=C\c2cccnc2Cl)CN(C2CCCCC2)C/C1=C\c1cccnc1Cl 728697413 OZSBCRCAATTXGI-MGYAYREDSA-N 428.363 5.468 30 20 IKED CC(C)(C)n1cc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)c(-c2ccccc2Cl)n1 731156631 IUOMNDOXNWAVDN-CSKARUKUSA-N 435.911 5.186 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)ccc1OC 733643217 IKNNQQQFCFDTTH-RTWAWAEBSA-N 441.547 5.492 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)c1 733807238 SNYIAQKQDVLIQV-FQEVSTJZSA-N 434.515 5.077 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)c1 735165612 NZHYHBCSGGQLPZ-UHFFFAOYSA-N 442.805 5.078 30 20 IKED N#CCOc1ccc(Cl)cc1CSc1ncc(-c2ccccc2)n1CC(F)(F)F 735233394 UXAPLHNSMNWMDV-UHFFFAOYSA-N 437.874 5.960 30 20 IKED COc1ccccc1-c1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 741467482 ONSFUIOECQUAKM-OVCLIPMQSA-N 428.456 5.255 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)/C=C\c1cnc(C(C)(C)C)s1 742631827 RZFXDWGHSKQEOZ-LUAWRHEFSA-N 431.561 5.852 30 20 IKED N#Cc1cc(NC(=O)c2ccc(-n3cccn3)nc2)ccc1Oc1ccc(C(F)(F)F)cc1 742783266 DJVDYGVBNVMEOS-UHFFFAOYSA-N 449.392 5.202 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)cc1 743253385 NKZLLVDFMDCAEE-GOSISDBHSA-N 445.313 5.044 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)c3ccc(Br)s3)n2)cc1 744061047 GMUIPVXOAVHDFW-BXUZGUMPSA-N 447.379 5.623 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3cc(Cl)ccc3Oc3ccc(F)cc3)o2)cc1 744868374 WIHIEYOEAGXNCL-UHFFFAOYSA-N 449.825 5.550 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)Cn1nc(-c2ccccc2)n(Cc2ccco2)c1=S 746032523 BUSWJEGQAYFNPP-UHFFFAOYSA-N 443.576 5.462 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2sccc2Br)cc1 746763369 HQVDKEIEGUNLET-KRWDZBQOSA-N 426.339 5.488 30 20 IKED CN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@H](c1ccncc1)c1ccc(Cl)cc1 749011864 GTIUJDKPJJZUQR-FQEVSTJZSA-N 427.360 5.678 30 20 IKED C[C@H](c1ccccc1)n1c(-c2ccccc2)nn(CN(CCC#N)CC(F)(F)F)c1=S 749955627 OYAXHJALUYHRJW-QGZVFWFLSA-N 445.514 5.426 30 20 IKED C#CC[C@@H](OC(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1)C1CC1 750773896 BRHYFENLNCKCOC-RDTXWAMCSA-N 438.574 5.031 30 20 IKED COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 752485942 UOAVOONQTSDAKA-PBXQCXKZSA-N 425.532 5.966 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2c(F)cccc2OC(F)F)cc1 752635752 HJWGDUXOBLXQID-SFHVURJKSA-N 425.410 5.404 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1scnc1Br 754254346 PIJXOVKHFLTWQZ-UHFFFAOYSA-N 436.278 5.182 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2Cn2cnc3ccccc32)cc1 756302737 PDMNUBZUIWQHRP-RPWUZVMVSA-N 435.531 5.388 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cc(Cl)c(O)cc1Cl 758095086 IGMXAXSFQCNKDH-UHFFFAOYSA-N 430.316 5.328 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)c3csc(-c4ccc(Cl)c(Cl)c4)n3)CCO2)c1 762310089 LYKFQMZLSXUERC-LJQANCHMSA-N 444.343 5.202 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 763469570 HOFMIVOSPOHOHU-IXDOHACOSA-N 427.570 5.146 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Br)c(Cl)c1 763476803 LODSLXQKEFXYEK-SNVBAGLBSA-N 446.515 5.370 30 20 IKED N#Cc1cc(NC(=O)c2ccccc2SCc2cccs2)c(Cl)c([N+](=O)[O-])c1 764303009 KXVRTKGFFCUJBZ-UHFFFAOYSA-N 429.910 5.726 30 20 IKED C[C@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(N2CCOCC2)c(F)c1 764773353 GZQYKCZWPKQKQU-ARLBYUKCSA-N 442.419 5.222 30 20 IKED C=CCC[C@H](NC(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1)c1ccccc1 765534577 LMMZEKAHNHRSIC-NRFANRHFSA-N 432.486 5.406 30 20 IKED CSc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)c(Cl)c1 765605475 KPLDWDJGWSJOSJ-WDZFZDKYSA-N 442.993 6.408 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)Cc1ccc(Br)cc1 765916123 PGUBIZSBZMBMEM-MGPUTAFESA-N 441.369 5.100 30 20 IKED Fc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)c(Br)c1 767765168 XCNLGOHWQWPXKW-UHFFFAOYSA-N 425.714 5.008 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)NCc2ccc(OC)c(O[C@H](C#N)CC)c2)c1 772175951 SDQRJNHSTYNUCU-QFIPXVFZSA-N 444.531 5.372 30 20 IKED N#CCOc1ccc(CNC(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)cc1 772206354 MYIVZMDYCRNQRB-UHFFFAOYSA-N 426.900 5.463 30 20 IKED Cc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c(Br)c1 774004268 AKAXKGXEUDKDIM-INIZCTEOSA-N 426.339 5.085 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H](CC)c2cc(F)cc(Br)c2)ccc1OC 776164599 JEFAPSUZDYWNHU-RTBURBONSA-N 435.337 5.519 30 20 IKED COc1ccc(CN(C(=O)c2ccc(C3(C#N)CC3)cc2)c2ccc3nc(C)[nH]c3c2)cc1 776905215 GNBRLOMUCOBHNZ-UHFFFAOYSA-N 436.515 5.282 30 20 IKED CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)co1 780602740 XIFNSSHAVAONTH-UHFFFAOYSA-N 433.464 5.221 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c1=S 784026946 QNXLFIWBGNRKPD-SFHVURJKSA-N 445.514 5.128 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)C[C@@H](C)c1c[nH]c2ccccc12)c1ccc(Cl)cc1Cl 786511895 HHOKIBVIZGJEIU-QWQRMKEZSA-N 442.346 5.555 30 20 IKED COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2S[C@@H]2CC[C@H](C#N)C2)cc1Cl 788097211 IAHDGPOJAABFIN-CFGDFPMOSA-N 443.981 5.579 30 20 IKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(CC)C1=O 799219016 JUBQHOZZJWYMLI-LJQANCHMSA-N 445.972 5.109 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(C)(c2ccc(Br)cc2)CC1 799410658 YSMBLOLNCOXNOF-INIZCTEOSA-N 442.357 5.326 30 20 IKED N#CC1(CCCOC(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)CCOCC1 800163945 VNKUXXFQNZNEFK-OAQYLSRUSA-N 448.346 5.757 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2cc(-c3cncc(F)c3)ccc2C)cc1C#N 801893020 ODKOPMOGVBIMNH-UHFFFAOYSA-N 433.443 5.280 30 20 IKED O=C1/C(=C\c2cccc(/C=C3\Cc4nc(Cl)ccc4C3=O)c2)Cc2nc(Cl)ccc21 806577095 MUFCXQZYZWAZFF-CKOAPEAFSA-N 433.294 5.428 30 20 IKED C[C@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 811802424 AYARSWSAALWKCF-IBGZPJMESA-N 441.535 5.175 30 20 IKED COC(=O)c1ccc(CNc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c(F)c1 864029625 BQTXFDOCEOYZEM-UHFFFAOYSA-N 427.291 5.514 30 20 IKED CCc1ccc(N(Cc2ccc(C)s2)C(=O)CCc2c(C)nc(O)c(C#N)c2C)cc1 915163016 NJSIWONNEGVUBV-UHFFFAOYSA-N 433.577 5.374 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3c(cnn3-c3ccccc3)C2)cc1 915359379 RAXMJCIZPWYUGU-VWLOTQADSA-N 433.515 5.118 30 20 IKED Cc1cccc2c(O)nc(/C(Cl)=C/c3cccc(OCc4cccc(C#N)c4)c3)nc12 915987495 FMXIITACAFURQD-XKZIYDEJSA-N 427.891 5.831 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(N3CCCCC3)c(F)c2)cc(Br)c1O 916128967 MNUOLEJYUQXNPG-VMPITWQZSA-N 434.305 5.189 30 20 IKED Cc1csc([C@@H](C#N)C(=O)[C@@H](Oc2ccccc2Br)c2ccccc2)n1 916843666 AXFLWNFZOBXVCH-KXBFYZLASA-N 427.323 5.211 30 20 IKED N#C[C@@H](C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1ccc2ccccc2n1 916848232 HFECZIOMYLCUDG-LJQANCHMSA-N 433.920 5.343 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)COc2ccc(Cl)cc2C2CCCCC2)cc1 916953614 VKISVXIEMFMNLZ-NRFANRHFSA-N 440.927 5.123 30 20 IKED COc1ccc(-n2c(C)cc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c2C)cc1 917040561 MHMALCZXCYFUBD-LJQANCHMSA-N 434.446 5.338 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1)c1nc(-c2ccccc2)cs1 917429058 HSUMNHDPKBQMKO-QZTJIDSGSA-N 448.523 5.070 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(OC(F)F)cc2)cs1 917561814 OJYVXCPZANQQEA-IZZDOVSWSA-N 432.423 5.464 30 20 IKED N#Cc1c(NC(=O)c2ccc(C3SCCS3)cc2)sc2c1-c1ccccc1CC2 917774483 NJHIYCPTSUCWON-UHFFFAOYSA-N 434.611 6.116 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=Nn2cnc3ccccc32)cs1 920372872 GCDUXOPOQHSFEM-UHFFFAOYSA-N 429.427 5.078 30 20 IKED Cc1ncccc1C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1787318385 BMLYZHFJTWCCED-UHFFFAOYSA-N 447.655 5.189 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3nc4ccccc4[nH]3)cc2)CCC1 1788915487 NSLQNBRAFXFMEL-UHFFFAOYSA-N 428.536 5.079 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cc(Cl)ccc34)cc2)CCC1 1788982785 SXJKSJLGTADKJC-UHFFFAOYSA-N 434.927 5.119 30 20 IKED Cc1ccncc1C(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789508198 WHNUNZXKIHKLTI-UHFFFAOYSA-N 447.655 5.189 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3c4ccccc4n4ccsc34)cc2)CCC1 1790001071 GCWZEHSDRUNAFN-UHFFFAOYSA-N 429.545 5.478 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](C)c2ccc(Cl)cc2)c1 1792823186 XCLRHJXFQUZDOP-YPVLGUGLSA-N 449.982 5.023 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3occc3c2)[C@@H]1c1cccnc1 1809341704 NNZNMVAFUJUIEP-VWNXMTODSA-N 445.563 5.140 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCOc2ccccc2)CC1 1823750261 GKVAYNKHJRFSSS-DEOSSOPVSA-N 440.628 5.068 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](F)c2ccccc2)CC1 1824854542 FCNFUQPPLVIAHQ-DNQXCXABSA-N 426.576 5.085 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C(F)(F)F)coc2C)CC1 1827856555 XDLNKEBNOLEHCA-HNAYVOBHSA-N 440.506 5.052 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3cccnc23)CC1 1828036601 YGERMBPRGSZUMK-RUZDIDTESA-N 445.607 5.237 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cnccc3c2)CC1 1828205086 SKTNBOXKIGJXSD-UIOOFZCWSA-N 445.607 5.237 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(OC)c2)CC1 1828827708 SMORPBRCQVDBKB-LOSJGSFVSA-N 438.612 5.005 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)CCCCC)CC2)CC1 1838424806 ZIOXHKVGAIYWDG-OAQYLSRUSA-N 434.665 5.194 30 20 IKED CC(C)c1cc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c2cnn(C(C)C)c2n1 22570374 YJJNXZDGAKUJDZ-UHFFFAOYSA-N 430.537 5.383 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccc(C(C)(C)C)cc2)s1 22695547 ROQBFGCJMGMFKG-UHFFFAOYSA-O 437.654 6.309 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2ccc(C(C)(C)C)cc2)c(C)[nH]1 23603386 INDYHKXITKVZIB-UHFFFAOYSA-O 442.555 5.546 30 20 IKED C=CCn1c(SC[C@H](O)Cn2c3ccccc3c3ccccc32)nnc1-c1ccoc1C 25767492 URNHRCHOFIOMEW-GOSISDBHSA-N 444.560 5.294 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 26063406 RBSDSSYTXLUTTC-UHFFFAOYSA-N 442.462 5.679 30 20 IKED C=C(C)COc1cc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1OC 60789976 UDHXNQZGRKYFBN-YBEGLDIGSA-N 430.476 5.510 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2ccccc2)CC2CCC2)cc1 63160455 VFTHDRGJXDUPRD-UHFFFAOYSA-N 439.559 6.166 30 20 IKED CC(C)N(C)Cc1ccccc1CNC(=O)c1ccccc1Sc1ccccc1C#N 107590767 ILFXQJFULPZZKK-UHFFFAOYSA-N 429.589 5.480 30 20 IKED C=CCn1c(SCc2csc(-c3ccc(C(=O)OC)cc3)n2)nnc1-c1ccccc1 109573544 ZDWVRRCLZRNKBI-UHFFFAOYSA-N 448.573 5.334 30 20 IKED C=CCn1c(-c2sc(NC(=O)c3cc(Cl)cc4cccnc34)nc2C)n[nH]c1=S 111200779 BCLKVJGSXGBHOV-UHFFFAOYSA-N 442.957 5.013 30 20 IKED Cc1noc(C)c1CSc1ncccc1C(=O)Nc1cccc(C#Cc2ccccc2)c1 252002467 MXZNPHCHKQJDIQ-UHFFFAOYSA-N 439.540 5.631 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1nnn(-c2ccccc2Cl)c1C 303154193 DBIFKMVUXIHCSG-UHFFFAOYSA-N 443.894 5.454 30 20 IKED Cc1cc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c(C)n1-c1ccccn1 303240544 JIRFGCMQGNDKSD-RUZDIDTESA-N 436.515 5.063 30 20 IKED C=CCCSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1ccc(OC(F)F)cc1 303796313 KWMNABLMKYJTPE-XMHGGMMESA-N 430.476 5.350 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 303887740 ROAUDBAWILKDIV-INIZCTEOSA-N 439.437 5.890 30 20 IKED C[C@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1CCCC1(C#N)CCOCC1 410417529 LBFHLGWJDRJSKX-SIKLNZKXSA-N 448.010 6.430 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(F)c1Br 431967782 WCHGNEQHHKBZNC-UHFFFAOYSA-N 426.245 5.208 30 20 IKED N#Cc1cc(NCc2cnc([C@H]3CCCO3)s2)ccc1Oc1ccc(C(F)(F)F)cc1 432427268 XYGNAGFLBTVUNC-HXUWFJFHSA-N 445.466 6.289 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H](c1cccnc1)C(C)C 435134740 YZKVDJYYHZGPQG-DEOSSOPVSA-N 428.536 5.402 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@@H](Cc2ccc(F)cc2)C(C)C)cc1 437840823 JJPFAEHYTHXRNQ-DEOSSOPVSA-N 437.559 5.371 30 20 IKED Cc1cnc([C@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C2CC2)s1 437960904 HFMAFHCCHYBYHR-JOCHJYFZSA-N 432.549 5.483 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 438056295 LVTSFZJRHIVNHQ-HNNXBMFYSA-N 433.499 6.301 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC3(c4cccc(F)c4)CCOCC3)cc2)cc1 438225762 LPQKMCWAZQOXHI-UHFFFAOYSA-N 431.467 5.317 30 20 IKED O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cnn(-c2ccccc2F)c1C(F)(F)F 438474900 WURXDIXTSYCMJW-NEPJUHHUSA-N 437.359 5.129 30 20 IKED N#CCC[C@H](NC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1)c1ccccc1 439389589 VCSQJENBBHWHOR-FQEVSTJZSA-N 433.899 5.154 30 20 IKED Cc1ccccc1COc1cccc(NC(=O)C(=O)Nc2ccccc2SCCC#N)c1 440325505 IMXVTZXMUIJLBM-UHFFFAOYSA-N 445.544 5.157 30 20 IKED C=CCn1c(S[C@H](C)c2ccc(S(C)(=O)=O)cc2)nnc1-c1cccc(Cl)c1 442920443 OVIGJQURBHAUIA-CQSZACIVSA-N 433.986 5.041 30 20 IKED Fc1ccc(-n2ccc(CN[C@@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)n2)cc1 444740803 GOCMVSYKEMFUKY-SFHVURJKSA-N 431.355 5.814 30 20 IKED Cc1cc(C)c(C[C@@H](c2nc(COCC(F)(F)C(F)F)no2)C(F)(F)F)c(C)c1 445753029 XUCAZTBORMQPIW-ZDUSSCGKSA-N 428.348 5.300 30 20 IKED C=CCN(C(=O)c1ccc(C(C)=O)o1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 447203918 OUPNLMZAKBPVOL-UHFFFAOYSA-N 428.513 6.106 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 448289412 LJBHJSMIHXHYRT-UHFFFAOYSA-N 427.430 5.205 30 20 IKED COc1cc(F)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1OC 470168207 IINYIMHVNRTSGZ-UHFFFAOYSA-N 440.858 5.199 30 20 IKED C[C@@H]1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C[C@H](c2ccsc2)O1 470736077 GFHKOKNUMOMUNQ-VGOFRKELSA-N 434.586 5.514 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 476121672 HAVYNUQDSTYEAQ-UHFFFAOYSA-N 430.470 5.936 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C 476175159 YVZJDUZUKOCXSM-XMMPIXPASA-N 431.580 5.342 30 20 IKED Cc1cn(-c2cccc(NC(=O)c3ccccc3Sc3ccccc3C#N)c2)c(O)n1 477820227 OYPAAZVRRIHDDP-UHFFFAOYSA-N 426.501 5.162 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1cccc(OCc2ccccc2)c1 478830400 CUOOYEKCLFHKIA-UHFFFAOYSA-N 432.568 5.331 30 20 IKED COc1ccc(CNc2cccc(-n3cc(C(F)(F)F)cn3)c2)cc1OCCCC#N 479440290 SRTPKSVRWORJTA-UHFFFAOYSA-N 430.430 5.194 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 480072127 OHWITFIEVVBFSL-VEXUSMLFSA-N 442.584 6.402 30 20 IKED C=C(C)Cn1c(SCC(=O)N2CCC[C@H]2c2cccc(C)c2C)nnc1-c1ccco1 481950219 YEGWYLRWSZKGGJ-FQEVSTJZSA-N 436.581 5.187 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 484911525 WJXPKNMVJYGDJW-JOCHJYFZSA-N 443.016 6.056 30 20 IKED Cc1cnn(-c2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cc2)c1 487107853 IIFAJMXEAFFFPA-HSZRJFAPSA-N 426.907 5.742 30 20 IKED Cc1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)cc1C(=O)N1CCCCC1 487154554 HKSPNYOMJSVWKJ-UHFFFAOYSA-N 427.552 5.010 30 20 IKED COc1ccc(-c2nnc(SCc3ccccc3C(C)(C)C#N)n2Cc2ccco2)cc1 488119696 ATWOHSVTXFFYSY-UHFFFAOYSA-N 444.560 5.688 30 20 IKED Cc1csc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1Br 489067615 FCLQFWLIPRMOOW-UHFFFAOYSA-N 440.322 5.195 30 20 IKED C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)[C@H]1OCCc2sccc21 494997395 PEWQMCMZUUKIIL-MZNJEOGPSA-N 449.551 5.173 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3Cc4ccccc4C3)s2)c(C(F)(F)F)c1 496351266 WILSZHXATPLXOA-UHFFFAOYSA-N 428.439 5.172 30 20 IKED CCCOc1ccc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1OCCC 499441191 ZXTIFQDOFAIUFS-GOSISDBHSA-N 431.330 5.021 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Nc2ccc(C)c(NC(C)=O)c2)cc1 502480043 VQGRNQRRCYSPNY-UHFFFAOYSA-N 430.464 5.270 30 20 IKED CCc1cc(C(=O)Nc2nc(C)c(SCC#N)s2)c2c(CC(C)(C)C)noc2n1 503488087 PPLGIWCDVOPPMP-UHFFFAOYSA-N 429.571 5.007 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2c[nH]c3ncccc23)cc1Cl 506048663 BLFQCPMDELHGHH-OAQYLSRUSA-N 429.911 5.236 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc(OC(F)F)cc2)cc1 508240966 HRZRMEMNYMYGHT-UHFFFAOYSA-N 439.418 5.282 30 20 IKED C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 508801713 NATXVJDQOBXFGS-UHFFFAOYSA-N 449.411 5.101 30 20 IKED CC[C@@H](C)n1ncc2c(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cc(C)nc21 508942054 NUYZTODFQQZCHO-QGZVFWFLSA-N 440.507 5.330 30 20 IKED CN(Cc1ccc(Cl)s1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510024529 VPZIVAIGYQMGNV-GOSISDBHSA-N 430.360 6.374 30 20 IKED CN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510055072 LAANQMRKDTXRMV-TZIWHRDSSA-N 447.922 5.299 30 20 IKED CCN(C(=O)c1cccc(COc2ccc(CCC(C)=O)cc2)c1)c1ccc(C#N)cc1 510397247 SRMGIVXDJDMODB-UHFFFAOYSA-N 426.516 5.326 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C2CC2)cc1 511355433 OTYWNCXOGQJIFW-SANMLTNESA-N 441.531 5.613 30 20 IKED C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511404599 LUIFBCJQIJCSSH-QGZVFWFLSA-N 435.474 5.835 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccc(Br)cc2)c1)c1nc(-c2ccccc2)cs1 515544149 KYVGEWXWTHNERD-GOSISDBHSA-N 449.333 5.248 30 20 IKED Cc1nn(-c2ccccc2)c2nc(C(=O)N(Cc3ccco3)c3ccccc3C#N)ccc12 516056347 NEICZTJKANWIPM-UHFFFAOYSA-N 433.471 5.041 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 516884341 YDQAEUSASUTZRF-UHFFFAOYSA-N 436.455 5.133 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc(OC)c1OC 517131716 IFAMSHRROJYKFT-MRXNPFEDSA-N 447.491 5.259 30 20 IKED C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 518668262 XXDWGJLIQYFAPK-WOJBJXKFSA-N 445.588 5.956 30 20 IKED Cc1nc(NC(=O)c2occc2COc2cccc(C#N)c2)sc1Cc1ccc(F)cc1 523276814 DWSCALJRKKUTLN-UHFFFAOYSA-N 447.491 5.477 30 20 IKED CN(CCC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 523323638 WJFVRWAUFGIACR-SDXDJHTJSA-N 426.476 5.006 30 20 IKED CC[C@H](C)[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(Cl)cc1 525090849 KZUQPFAHVUKNAK-UUOWRZLLSA-N 425.960 5.270 30 20 IKED COCc1nc(C)c(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)s1 535405419 OYAGTOPSNDWMLL-LBMSDSGBSA-N 427.595 5.012 30 20 IKED Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 536767947 MJIFQYYVEJZCAO-CQSZACIVSA-N 438.331 5.308 30 20 IKED COc1ccc(C[C@H](NCc2ccc(C#N)cc2OC(F)F)c2ccccc2)cc1OC 537058368 YWJGWKFPLOLOFR-NRFANRHFSA-N 438.474 5.250 30 20 IKED CN(Cc1ccccc1NCCCC1(C#N)CCOCC1)C(=O)c1cc2ccccc2o1 537508470 PCXYHKKJXPAVPO-UHFFFAOYSA-N 431.536 5.217 30 20 IKED COc1cc(CN[C@@H](C)c2cccc(-n3cccn3)c2)ccc1OCc1cccc(C#N)c1 538189374 XXWOKTAVVXSGEZ-FQEVSTJZSA-N 438.531 5.182 30 20 IKED COc1ccc(COCCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 539030246 NHFAQXZDYHZWRD-UHFFFAOYSA-N 431.492 5.006 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c2cnn(C(C)C)c2n1 540779343 GGOJPMVXYVHCQT-CQSZACIVSA-N 437.475 5.212 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)c1ccccc1-c1ccno1 543863837 FERAPXKLPJKVAK-UHFFFAOYSA-N 431.473 5.115 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](C)CC(=O)c1cccc(Br)c1 553439901 RNRAZGRCPYKCFG-QGZVFWFLSA-N 446.389 5.040 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)Nc3cc(-c4nnc5n4CCCCC5)ccc3Cl)CC2)c1 564052349 AERJGJONAJLBCC-UHFFFAOYSA-N 449.917 5.006 30 20 IKED CN(Cc1cc(Br)cs1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 564439586 UCRAMACARGRBOB-UHFFFAOYSA-N 443.326 5.233 30 20 IKED CCN(C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[C@@H](C)Cc1ccc(OC)cc1 565921773 ICILZYNMRONXDG-SFHVURJKSA-N 430.508 5.239 30 20 IKED C[C@@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccccc1Oc1ccccc1 579133969 WWTUBKGRBZHQHB-HXUWFJFHSA-N 426.520 5.202 30 20 IKED Cc1cc(-c2cc(C(=O)N[C@@](C)(C#N)C3CCCCC3)c3cnn(C(C)C)c3n2)c(C)o1 581210364 IGMSGNWZCXDKBS-VWLOTQADSA-N 433.556 5.481 30 20 IKED Cc1nccc(-c2cccc(NC(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)c2)n1 586872766 NMHFHPIRWROEPW-UHFFFAOYSA-N 445.954 5.222 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C3(c4ccc(Br)cc4)CC3)cn2)cc1 603764330 LNBCILPRYUUJNL-UHFFFAOYSA-N 434.293 5.178 30 20 IKED CCOC(=O)c1sc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)c(C#N)c1C 603819226 NFDYRLKRBGTSGJ-UHFFFAOYSA-N 445.953 5.063 30 20 IKED N#Cc1ccc(Oc2ccc(Nc3ccc4nnc(C(F)(F)F)n4n3)cc2Cl)cc1 603942651 AOWDLLGAFVGHNR-UHFFFAOYSA-N 430.777 5.204 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H]2c2cccs2)cc1Cl 604159189 AKSVRFGOZFTGRY-FPOVZHCZSA-N 449.963 5.359 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c2)c1 604690847 ICPSWLPKCIYWNN-HXUWFJFHSA-N 443.915 5.890 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c1 604929824 XPFAWALNMBSJBH-KRWDZBQOSA-N 441.796 5.908 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 609080125 UHZHNFNRUXIYGI-UHFFFAOYSA-N 442.494 5.099 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCCO[C@@H](c3ccccc3)C2)cc1 609253028 ZIMGPSRWUUVAHJ-RUZDIDTESA-N 443.503 5.355 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(CN2CCCC2=O)cc1 609378385 IRVHMSMZJDXRTR-UHFFFAOYSA-N 447.482 5.086 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 609428278 JDQQPYKKILCATG-HNNXBMFYSA-N 440.956 5.746 30 20 IKED Cc1cc(C)c(C#N)c(N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)n1 609511588 CRPBMUZKAZBMGL-XMMPIXPASA-N 431.584 5.263 30 20 IKED Cc1cccc(-c2ccc(CNC(=O)C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)c1 610030978 XKDVDMYXULDQKR-LJQANCHMSA-N 443.572 5.169 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1sc(-c2ccccc2)nc1C(F)F 611186021 LLPPDZFDPKLZPR-CYBMUJFWSA-N 429.517 6.394 30 20 IKED CN(CCCOc1ccc(F)cc1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612806434 YOEMSMGOWXWKOP-NHAGDIPZSA-N 444.391 5.146 30 20 IKED O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618366236 ZZDHBUWDUFQPSF-ZIAGYGMSSA-N 447.350 5.260 30 20 IKED Cc1nc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)sc1Cc1cccc(Cl)c1 618445237 YIJSWGVBAKSYJM-UHFFFAOYSA-N 436.751 6.127 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCOc2c(Br)cccc2C1 619317063 CXEGYSFQUKDNMM-AWEZNQCLSA-N 446.370 5.270 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Oc4ccc(F)cc4)cc3)n2)cc1 619756497 GJUDGXSXETYQOM-JOCHJYFZSA-N 439.471 6.103 30 20 IKED O=C(Cc1ccc(N=Cc2cc(Br)ccc2O)cc1)Nc1ccccc1F 727972645 ATNKTNYRWXFUBC-UHFFFAOYSA-N 427.273 5.226 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1cccc(C#N)c1 728061902 DQOXHLJNYLZDEH-INIZCTEOSA-N 430.895 5.101 30 20 IKED CC(=NNc1ccc(Br)cc1C)c1ccc(S(=O)(=O)C2CCCC2)cc1 728432936 JPORMKMBDIBEMO-UHFFFAOYSA-N 435.387 5.310 30 20 IKED CCN(CC)c1ccc(-c2nn(CN(C)[C@@H](C)CC#N)c(=S)n2-c2ccccc2)cc1 728902145 ISAOIONPSJZSNE-IBGZPJMESA-N 434.613 5.108 30 20 IKED COc1ccccc1/C=C(/C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1ccccc1 730420363 CMRROULLPVUZJW-ACSPXDACSA-N 428.488 5.861 30 20 IKED Cn1c(C(=O)Nc2ccccc2SCCC#N)ccc1-c1ccccc1Br 730982170 JYALAWRVCCYNGK-UHFFFAOYSA-N 440.366 5.713 30 20 IKED COc1ccc2c(-c3ccccc3)cc(=S)n(CN(CCC#N)Cc3cccnc3)c2c1 732413885 FPPJLHQMDFMHAJ-UHFFFAOYSA-N 440.572 5.815 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)c1 733804350 CCLYJYSAVJSRAP-PZJWPPBQSA-N 442.357 5.177 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2sccc2C(=O)NC2CC2)c1 735004934 MSPQOUCCMZIMHQ-UHFFFAOYSA-N 437.908 5.210 30 20 IKED O=C(/C=C\c1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccc(S(=O)(=O)C(F)F)cc1 735231892 CUMFUEIWUHWQBA-XFFZJAGNSA-N 449.456 5.216 30 20 IKED C=CCOc1ccc(/C=C2/SC(=S)N([C@@H]3CCOc4ccccc43)C2=O)cc1Cl 743283534 BYGCTDAFBASRKQ-UOBPLZBXSA-N 443.977 5.630 30 20 IKED C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Br)s1 744031439 XGZKSAUKODEODA-WCBMZHEXSA-N 446.153 5.268 30 20 IKED CC(=O)CCc1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 745313713 VITXFORIIAMZBC-KBXCAEBGSA-N 426.925 5.115 30 20 IKED C=CCn1c(-c2ccco2)nn(CN(CC)Cc2ccccc2Br)c1=S 746028021 DRXWNLNHBDNGEG-UHFFFAOYSA-N 433.375 5.102 30 20 IKED CCCCCCNC(=O)[C@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 748443210 LYKKIESNXOBRGB-UKILVPOCSA-N 446.595 5.282 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 750200348 BZQXZDNFKFLNKB-SFHVURJKSA-N 447.379 5.212 30 20 IKED C[C@@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)c1ncc(-c2ccc(Cl)cc2Cl)o1 753330367 XSOLERLASLLJCS-GFCCVEGCSA-N 444.274 5.419 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1 753530954 BUERSEHLUQOGEU-OAHLLOKOSA-N 426.259 5.142 30 20 IKED Cc1nc2ccc(/C=C3\SC(=S)N(c4ccc(C#N)c(Cl)c4)C3=O)cc2s1 754834888 TWRFMNHVXSJZEQ-IDUWFGFVSA-N 427.963 5.536 30 20 IKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2cc(-c3ccccn3)ccc2Cl)c1C 754996867 FOXKABJUJWUOQA-UHFFFAOYSA-N 447.922 5.123 30 20 IKED COc1cccc(-c2nn(C(C)(C)C)cc2/C=C\C(=O)c2ccc(OC)c(NC(C)=O)c2)c1 759653216 OQYBWDMPHWNWJU-BENRWUELSA-N 447.535 5.177 30 20 IKED Cc1cc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)ccc1NC(=O)CC(C)C 764753258 LIUIKTPEJFLGRA-UHFFFAOYSA-N 449.338 5.307 30 20 IKED Cc1nn(C)c(C)c1[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(F)(F)F 777564486 GXPOGLHJQROUQV-PZJWPPBQSA-N 441.457 5.118 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 779019803 IDYBAAGXCHPUNV-BBVXACFBSA-N 438.575 5.374 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c1 779103863 GBTDYRJUSLAUIW-FQRUVTKNSA-N 448.950 5.671 30 20 IKED Cc1ccc(Sc2ccc(C(=O)Nc3ccccc3O[C@H](C)C#N)cc2[N+](=O)[O-])cc1 780152965 UXAUPDVMPRKXNL-MRXNPFEDSA-N 433.489 5.598 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 780539246 VEPZTEXOOZICIQ-INIZCTEOSA-N 428.448 5.294 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2Cl)cs1 782189537 RDWBEOBQOGCTLW-BJMVGYQFSA-N 441.896 5.594 30 20 IKED CC(C)(C)OC(=O)NCc1cccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1 786924015 XEJZRNBUNKFMJT-QGZVFWFLSA-N 434.323 5.013 30 20 IKED COC(=O)c1cc(Cl)ccc1C(=O)/C=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1 787176557 CNGYXDHLFQYPSQ-SOFGYWHQSA-N 428.853 5.054 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3c4ccccc4cc4ccccc34)ccc21 787986203 ATUULMRVAGJGRI-UHFFFAOYSA-N 433.511 5.828 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2CC[C@@H](Sc3cccc(Cl)c3)C2)c1=S 793779069 GQNVGIBVYSSTKB-LJQANCHMSA-N 444.029 5.140 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 801756101 XOLKFETURSNWIL-AREMUKBSSA-N 441.616 5.793 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 802041032 OBZYLRIHGKIQTH-DOMZBBRYSA-N 433.188 5.370 30 20 IKED C[C@H](NC(=O)N1CCC[C@](CO)(c2ccccc2)C1)c1ccc(-c2cccc(C#N)c2)cc1 802289276 BTMRGZMWDNVELY-KMRXNPHXSA-N 439.559 5.022 30 20 IKED Cc1ccc(C(=O)N2/C(=N\Cc3ccccc3)SCC2(C)C)cc1NC(=O)c1ccco1 892188855 PDZZOWIUOHEFAI-SHHOIMCASA-N 447.560 5.364 30 20 IKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc(Cl)c1C 916206333 QEWATXVVQRMGDH-IBGZPJMESA-N 445.972 5.027 30 20 IKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 916212057 RKBAYZRKEYMXQH-QGZVFWFLSA-N 435.471 5.076 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccco2)cc1C 916217208 HZHQLOHDGHLEKB-NRFANRHFSA-N 433.533 5.057 30 20 IKED Cc1cc(C=Nn2c(S)nnc2[C@@H]2CCCO2)c(C)n1-c1cccc(Cl)c1Cl 916367711 LPUUQOYILKNXOI-INIZCTEOSA-N 436.368 5.015 30 20 IKED N#C[C@H](C(=O)c1ccc(SC(F)F)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 916847848 WYPIOHLMIRLXPY-CYBMUJFWSA-N 431.489 5.080 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl 916902330 DWPCJZIYSOQNDU-MZEUMTGBSA-N 448.872 5.844 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl 916909660 NWQHUZCMSIOAOW-AWEZNQCLSA-N 430.316 5.387 30 20 IKED N#Cc1cccnc1NCCNC(=O)c1oc2ccccc2c1CSC1CCCCC1 917154362 HGQQGSGNJKGMKM-UHFFFAOYSA-N 434.565 5.107 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(C=NN=C(c2ccccc2)c2ccccc2)cs1 917531490 VMVJKKLSFCZEMV-UHFFFAOYSA-N 442.519 5.838 30 20 IKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1cc(-c2ccccc2)cs1 917543595 SSOUUINRAAQLLB-UHFFFAOYSA-N 436.562 5.155 30 20 IKED C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl 918434399 NYTVDXJHVOPQCL-KRWDZBQOSA-N 449.403 5.126 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)cc3C(F)(F)F)cc2)CCC1 1786607659 WMLYRBHSIWVWRG-UHFFFAOYSA-N 434.433 5.097 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccoc4c3)cc2)CCC1 1788481053 JGUWFEXBVQIWQJ-UHFFFAOYSA-N 429.520 5.344 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccco4)CCC3)cc2)c1Cl 1790081947 RFHMLMDCKYRFPK-UHFFFAOYSA-N 447.922 5.185 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc4nc(C)ccc4o3)CCC2)cc1)C(F)(F)F 1791302851 BHZUMSSNSNWYRL-UHFFFAOYSA-N 443.425 5.002 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C3CC3)cc2)[C@H]1c1cccnc1 1811847322 GFOZGOIPUTYTQZ-TWJOJJKGSA-N 443.591 5.047 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3cc(C)[nH]c23)[nH]n1 1819305617 MBCLSHDVIYJKNC-UGKGYDQZSA-N 445.567 5.274 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C)c(OC)c2)n[nH]1 1820601859 QNGOLOHYXAFUNI-FQEVSTJZSA-N 438.572 5.025 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)n[nH]1 1822021033 XJTBEQZXCUYWCM-JKBKZWBZSA-N 426.605 5.221 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccccc3)CC2)CC1 1823780551 FCXOXOLTUWPYKZ-RPBOFIJWSA-N 434.624 5.106 30 20 IKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2occc2C)CC1)c1ccccc1 1827738317 PSQSERAIZCWPLO-JWQCQUIFSA-N 446.591 5.019 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)(C)C)cc2)CC1 1830600223 YXXXHAMVDWXTIO-HYBUGGRVSA-N 440.628 5.309 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccoc23)CC1 1830990736 VXVJMBSSMVPVDK-HSZRJFAPSA-N 436.596 5.659 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC2CCC(C)(C)CC2)CC1 1831447223 QAJIVWYNBXTLJU-NRFANRHFSA-N 438.603 5.424 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3sccc3s2)CC1 1832030277 JYYBBXVPBHZRNH-LJQANCHMSA-N 442.650 5.390 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2cccc(C)c2C)cc1 10168116 LYXMPCHMXPPQKQ-UHFFFAOYSA-O 445.652 6.718 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2ccc(Cl)cc2)cc1 10833044 PXWDTAZBBWQGNY-UHFFFAOYSA-O 425.961 5.249 30 20 IKED C=CCn1c(C)nnc1SCC(=O)Nc1cc(Cl)ccc1Oc1ccc(C)cc1 12055907 KPPJAEICLMTHKK-UHFFFAOYSA-N 428.945 5.257 30 20 IKED Cc1c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)oc2c(Cl)cccc12 14621322 UPWBUCMTMGIYDL-UHFFFAOYSA-N 440.937 5.662 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)nnc1-c1cccc(C)c1 22212547 NUDUTUIAQMLVQU-CQSZACIVSA-N 430.936 5.351 30 20 IKED CCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccccc1 26008681 YPLRPENWCBABOL-GOSISDBHSA-N 445.573 5.057 30 20 IKED N#Cc1nc(NC(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)[nH]c1C#N 26272445 FDJPRWBYIKIRBG-UHFFFAOYSA-N 428.304 5.004 30 20 IKED N#CC1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2Cl)CC3)CC1 61584843 COPPGJMBPIQMCS-CYVLTUHYSA-N 427.935 5.751 30 20 IKED C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(OCC(F)(F)F)cc1 63558952 KPLRRLMEKFVJIH-SFHVURJKSA-N 440.465 5.929 30 20 IKED Cc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)ccc1N1CCNC1=O 65104677 WPHVLGRMMMHUJR-UHFFFAOYSA-N 446.894 5.094 30 20 IKED CC[C@@H](C#N)Oc1cc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)ccc1OC 237021211 MZONZCBLQHRVHO-IBGZPJMESA-N 437.521 5.303 30 20 IKED Cc1nc(CSc2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)cs1 303247622 BBEUURADZRRSTM-OAHLLOKOSA-N 439.631 6.248 30 20 IKED N#C[C@H](C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2)c1nc2ccccc2[nH]1 303313305 PMGZETBBWZPUPW-CQSZACIVSA-N 436.302 5.034 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]1c1nc2ccccc2s1 303351557 FFPJIFGTPPRMPR-LPHOPBHVSA-N 436.606 5.466 30 20 IKED CCOc1ccc(S(=O)(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccc12 303382666 WKKILBGOLGNLFX-INIZCTEOSA-N 426.563 5.434 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 303542292 YRSLNHYIODYDOW-WOJBJXKFSA-N 437.421 5.815 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)c1-c1ccccc1 428898617 CCLXCLHXLSKTQS-UHFFFAOYSA-N 446.514 5.114 30 20 IKED N#CCCn1ncc(C(=O)Nc2cc(Cl)ccc2OCC2CCC2)c1-c1ccccc1 428946943 MCYAZTBJCUSOTI-UHFFFAOYSA-N 434.927 5.548 30 20 IKED C[C@]12CCN(C(=O)Nc3ccc(OCC(F)(F)F)c(C(F)(F)F)c3)C[C@@H]1C2(F)F 432947708 DRUMGRUIVGCVGR-JSGCOSHPSA-N 432.311 5.156 30 20 IKED N#CCCC[C@@H](NCc1csc(-c2ccc(Br)cc2)n1)c1ccccc1 433013606 YJQJASOOHFIQDK-HXUWFJFHSA-N 426.383 6.097 30 20 IKED N#CCCC[C@H](NCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)c1ccccc1 433019062 KYIBWILSSCAWEL-PZJWPPBQSA-N 448.617 5.512 30 20 IKED N#CCCCOc1cccc(NC(=O)C(=O)Nc2ccccc2Oc2ccccc2Cl)c1 437063666 GDUWZGDYKAWOFP-UHFFFAOYSA-N 449.894 5.392 30 20 IKED N#Cc1ccc(CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)c(Cl)c1 438815649 WMJSBTHZILCAAB-GOSISDBHSA-N 428.920 5.081 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(-c3ccccc3OC)cc2)c1 442172998 OARLHDVFLGQJGD-IBGZPJMESA-N 444.531 5.133 30 20 IKED N#CCCCn1cc(C(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c2ccccc21 444339069 ONHMGLQDJMORBS-KRWDZBQOSA-N 430.483 5.245 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)NC2(c3cccc(OC(F)(F)F)c3)CCOCC2)cc1 444857580 IWVVHRIFXVIRMJ-UHFFFAOYSA-N 447.457 5.214 30 20 IKED Cc1ccc(NC(=O)Cc2noc(-c3ccc(Oc4cccc(F)c4C#N)cc3)n2)c(C)c1 445348252 BZMUSTXBISJMJJ-UHFFFAOYSA-N 442.450 5.338 30 20 IKED C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 460924356 FXABOQZNUYUXQA-HXUWFJFHSA-N 426.549 5.344 30 20 IKED C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 460962714 LZBSEIZRAANPRV-IBGZPJMESA-N 434.506 5.035 30 20 IKED N#Cc1cccnc1-n1cc(NCc2ccc(-c3ccccc3Br)s2)cn1 461404419 DYRDDDVHAMJTMK-UHFFFAOYSA-N 436.338 5.242 30 20 IKED CCCNc1ccc(C#N)cc1NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 461691061 IHPQHNNGUQOVDO-UHFFFAOYSA-N 428.496 5.218 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCc2cc(C#N)ccc2F)cc1 464048603 IJDNAPRTLLGBBZ-UHFFFAOYSA-N 427.479 5.103 30 20 IKED COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(C#N)cc1 465667377 WUHPKKZKKOAPDT-SFTDATJTSA-N 427.548 5.471 30 20 IKED C=C(C)C[C@H](C)C(=O)N1CCC(CCCC2CCN(C(=O)[C@H](C)CC(=C)C)CC2)CC1 467788806 KRSQHENHTVVZGL-ZRZAMGCNSA-N 430.677 5.839 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 475556392 QHAWUAAANZHFHO-UHFFFAOYSA-N 449.639 5.431 30 20 IKED CC(C)(C#N)c1ccc(C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1 475666837 LUVZZLABHZVIEJ-UHFFFAOYSA-N 434.543 5.330 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 476793372 LVEXVRYECSZVOQ-UHFFFAOYSA-N 440.590 5.653 30 20 IKED COc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 477367690 XYJXFPRVTFOXFB-JOCHJYFZSA-N 427.504 5.598 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1 479526195 WLRVKOOIACJXDY-UHFFFAOYSA-N 428.517 5.269 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(CO)(c3ccccc3)CC2)cc1 479790293 UYHOUJWQTNFXGK-UHFFFAOYSA-N 442.584 5.017 30 20 IKED N#CCCCOc1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)c1 480026065 NEVFSTIEQVHUQZ-CLJLJLNGSA-N 426.516 5.690 30 20 IKED CC(=O)Nc1nc2ccc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cc2s1 482966111 UQEWAMZAXZVHAR-UHFFFAOYSA-N 428.473 5.171 30 20 IKED Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 483442756 UXVYITQLLQSQIE-UHFFFAOYSA-N 439.515 5.584 30 20 IKED CC(=O)c1c(C)[nH]c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1C 487385841 MGWDGSRKBPXQSF-UHFFFAOYSA-N 446.454 5.024 30 20 IKED C=CC[C@H](C(=O)Nc1nc(-c2ccc(CCCNC(C)=O)cc2)cs1)c1ccccc1 487788593 WMUQUDAPHJFJAF-QFIPXVFZSA-N 433.577 5.177 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C 487808616 NZUSRTBBCZXSIN-DEOSSOPVSA-N 427.504 5.161 30 20 IKED N#Cc1cnc(C(=O)Nc2c(Oc3ccc(Cl)cc3)ccc3ncccc23)c(Cl)c1 497457070 OBMIQSHPSWGLEA-UHFFFAOYSA-N 435.270 5.853 30 20 IKED O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1ccc(F)cc1OCCC(F)(F)F 500217903 HSIVPIQIAWOGIW-UHFFFAOYSA-N 425.300 5.237 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 500591569 PYSKDBHUGCZRPI-CQSZACIVSA-N 441.940 5.526 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3cnccc3Oc3ccccc3)s2)cc1 503150935 PDDOKKOZFAOYPR-UHFFFAOYSA-N 445.529 5.142 30 20 IKED Cc1nc(NC(=O)c2cc3sc(Nc4ccccc4)nc3s2)sc1SCC#N 504746207 TYQSRYWTFITYNN-UHFFFAOYSA-N 443.604 5.734 30 20 IKED N#C[C@@H](C(=O)Nc1ncc(-c2ccccc2)s1)c1nc(-c2c(F)cccc2F)cs1 505437761 HDNUEOXRKFUIAB-ZDUSSCGKSA-N 438.484 5.458 30 20 IKED COc1cc([C@@H](C)NC2CCC(C#N)(c3ccccc3)CC2)ccc1OCc1ccncc1 507627992 CRLPTJDSTOXBOD-JJFHMGRRSA-N 441.575 5.724 30 20 IKED C=C(C)COc1cccc(NC(=O)[C@H]2CCO[C@@H]2c2c(C)nn(-c3ccccc3)c2C)c1 507632056 CKLUAZINNOTLCS-ZCYQVOJMSA-N 431.536 5.160 30 20 IKED COc1ccc([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1F 510006615 TZPLTXLSTJYKNJ-YWZLYKJASA-N 437.902 6.026 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccnc(N2CCCCC2)c1 510489636 JAVQJKFQBKBISS-UHFFFAOYSA-N 441.535 5.366 30 20 IKED CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 512844687 OPNRYXFLLGTCPD-UHFFFAOYSA-N 432.549 5.855 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(COc2ccccc2C#N)c1 513237751 DWBZEZCYCITOAQ-GOSISDBHSA-N 427.529 5.641 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1nc(-c2c(F)cccc2F)cs1 514218423 MDHREZWCBGRRAC-LBPRGKRZSA-N 440.862 5.622 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 515457274 CLZHQGYXGCGWQW-UHFFFAOYSA-N 427.479 5.680 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3cc(C#N)cn3C(C)(C)C)c3cnn(C(C)C)c3n2)c(C)o1 515590916 GMTFPBBILKKPFC-UHFFFAOYSA-N 444.539 5.570 30 20 IKED CC(C)(C)c1noc2ncc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc12 516047723 PBURBBFCMPFALR-UHFFFAOYSA-N 440.503 5.418 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)cc2)cc1 518388188 TYABGZPNPRJUIR-UHFFFAOYSA-N 433.511 5.956 30 20 IKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C 519063940 NGWCTRGQVNIWPB-UHFFFAOYSA-N 426.520 5.562 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc4nc(C(F)F)[nH]c4c3)c2)cc1 519306990 NBAGYQXJMGTGGM-UHFFFAOYSA-N 432.430 5.398 30 20 IKED N#CCCn1cc(/C=C\c2nc(-c3cc(Br)cs3)no2)c2ccccc21 520302264 QSSWYEBQWXOKGW-SREVYHEPSA-N 425.311 5.599 30 20 IKED C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1SCCC#N 520846829 LFIAOHPBMINNEC-SFHVURJKSA-N 449.601 5.482 30 20 IKED COc1ccccc1[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1 520941379 LRBRLWWYKJVLMU-MHECFPHRSA-N 431.561 6.001 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 521209712 HRYYQBFYJUXNCQ-OAQYLSRUSA-N 441.959 5.460 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F 522540100 UFUPOIJJSGQRBO-CHWSQXEVSA-N 426.410 5.732 30 20 IKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2ccc3oc4ccccc4c3c2)CC1 523329517 SHMVBALSHUYJRO-UHFFFAOYSA-N 447.498 5.360 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3nc(CC(F)(F)F)no3)n2)o1 525117169 IAURNMAQHCRODP-UHFFFAOYSA-N 448.348 5.321 30 20 IKED CCN(C(=O)C(=O)Nc1ccccc1SCCC#N)[C@@H](C)c1cccc(C(F)(F)F)c1 527143381 GCLVUQBBNRJVKM-HNNXBMFYSA-N 449.498 5.259 30 20 IKED C=CCC[C@H](NC(=O)Nc1cc(S(C)(=O)=O)ccc1C)c1ccc(C(F)(F)F)cc1 533084877 JWXPJMNYZWBUHU-SFHVURJKSA-N 440.487 5.246 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnn(CC(C)C)c2C(F)F)cc1 533959229 UUCDNMDLFNKOAZ-UHFFFAOYSA-N 440.450 5.402 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]3C3CCOCC3)cc2Cl)c1 539717774 KRUACOFUDIMNNI-JOCHJYFZSA-N 439.943 5.214 30 20 IKED N#C[C@@H](C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1)c1ccc(C(F)(F)F)cn1 540081198 QIKLIKUGHPSPPQ-CYBMUJFWSA-N 439.315 5.080 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1 541281754 TYKIDCZVQQFQTE-CYBMUJFWSA-N 431.439 5.864 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NCc2nnc(-c3ccc(Cl)cc3Cl)o2)n1 542009600 ULZPSGJJZOHEPI-UHFFFAOYSA-N 445.697 5.366 30 20 IKED COc1cc(CNc2ccn(-c3ccc(C#N)cc3F)n2)ccc1OCc1cccs1 542020073 WTWMCRGANIWJFB-UHFFFAOYSA-N 434.496 5.144 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)[C@H](C)c1ccccc1C(F)(F)F 542561820 JSJZSRLEEJICLY-IXDOHACOSA-N 449.542 5.677 30 20 IKED N#CCCn1cc(/C=C\c2nc(-c3ccc(Oc4ncccn4)cc3)no2)c2ccccc21 546329195 IHJLFJNKXQRJQY-XFXZXTDPSA-N 434.459 5.358 30 20 IKED CCCn1c(SC[C@@H](O)COc2ccc(CC#N)cc2)nc2ccc(C(F)(F)F)cc21 551958184 HYBPOUUPMZTJQW-KRWDZBQOSA-N 449.498 5.063 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1CC[C@]2(C)[C@@H](C1)C2(F)F 552616876 SENARYULLHARDG-XMSQKQJNSA-N 445.535 5.142 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc2ccccc2n1Cc1ccccc1F 553416612 NGTGZSZXPNQSOB-UHFFFAOYSA-N 432.495 5.133 30 20 IKED CCSc1ccc([C@@H](C)NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 553856915 LKXYTFGQCGMVIL-MRXNPFEDSA-N 427.545 5.123 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@]2(C1)OCc1ccccc12 555220892 IXLQNHTUUNATJM-IDISGSTGSA-N 444.579 5.247 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(Br)c2Cl)c1 558817848 OZARVQPRGJGGQE-UHFFFAOYSA-N 431.673 5.398 30 20 IKED COCCNc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 561523956 LYSHHNGLFOOWOJ-HSZRJFAPSA-N 448.954 5.375 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N(CCC#N)c1ccc(F)cc1 561800766 YMJTUFOKTJVYOM-UHFFFAOYSA-N 425.460 5.148 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)CC1 571179606 DZISGIROOUCLRP-UHFFFAOYSA-N 441.466 5.118 30 20 IKED N#CC[C@H](Cc1nc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)no1)c1ccccc1 572045964 ZXYSBDXHBWLGGP-HXUWFJFHSA-N 438.487 5.283 30 20 IKED CCCN(C(=O)c1ccc(Cl)c(C#N)c1)[C@@H](c1cccnc1)c1ccc(F)cc1F 572563061 NTJWBBKVBBTNLD-QFIPXVFZSA-N 425.866 5.527 30 20 IKED Cc1cc(Br)c(C(=O)N[C@@H](C#N)c2ccccc2Br)cc1Cl 587494751 CGBXSHZTUVFXJY-HNNXBMFYSA-N 442.538 5.168 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3sc4c(c3C#N)CCCC4)c12 603727791 PJZFYOBXPPLVQQ-UHFFFAOYSA-N 433.581 5.436 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2cccc3ccccc23)o1 607437861 KGBOFKGXVWBFLK-MRXNPFEDSA-N 435.574 5.647 30 20 IKED C=CCN(C(=O)c1cc(Br)ccc1OC)c1nc(-c2ccccc2)cs1 607443697 VNGJXMXUWBGNGG-UHFFFAOYSA-N 429.339 5.414 30 20 IKED COCCOCc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 608784927 GJRVWTXJGCELEI-UHFFFAOYSA-N 447.510 5.095 30 20 IKED C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc2c(c1)c1ccccc1n2C 609379105 SIPCCENGYMQBNL-MRXNPFEDSA-N 435.574 5.384 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1)Cc1ccccc1F 609398247 JXRIWZFQLCWGFK-LJQANCHMSA-N 433.552 6.312 30 20 IKED CCN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H](C)c1cccc(C(F)(F)F)c1 609401940 LSPLOLQQGZOIEN-HOTGVXAUSA-N 435.515 6.572 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 609431769 NOFJDXFOPXXWMT-INIZCTEOSA-N 439.968 5.723 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(CN2CCCCCC2)c1 609439057 VRJOOKNZNBQONV-HXUWFJFHSA-N 436.625 5.779 30 20 IKED Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)C1CCC(C)CC1 609579195 ZXBQRDPAELJXHH-AJPKXHFHSA-N 447.579 5.300 30 20 IKED COc1cc(CS[C@@H](C)C(=O)N2CCCCCC2)ccc1OCc1cccc(C#N)c1 609741128 LHDGPVYBCJWRKF-IBGZPJMESA-N 438.593 5.170 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCS[C@@H](c3ccccc3)C2)cc1 609807881 WDWMJHSPIWTDAV-RUZDIDTESA-N 443.572 5.654 30 20 IKED Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccccc1SCCC#N 609957642 JUEUMHRVOVNOLJ-HXUWFJFHSA-N 449.601 5.101 30 20 IKED C=CCc1ccc(OCC(=O)N(c2ccccc2)c2nc3ccccc3s2)c(OC)c1 614482622 SNYVUFKNKBRCNU-UHFFFAOYSA-N 430.529 5.777 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccccc1CSc1nc2ccccc2o1 618789641 MDRNQVIFLADQBD-OAQYLSRUSA-N 425.513 5.409 30 20 IKED COCCCC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccccc1 619312280 MJEBXZTWBOIXPE-QHCPKHFHSA-N 430.508 5.425 30 20 IKED COc1ccc(-c2nnc(S[C@@H](C#N)c3ccc(Cl)cc3)n2Cc2ccco2)cc1 619863925 WDYIKMQUJMBTDE-FQEVSTJZSA-N 436.924 5.605 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 642158267 QABMGYYZDJJLOB-GZBLMMOJSA-N 447.341 5.835 30 20 IKED N#CCCn1cc(C(=O)COC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c2ccccc21 727925324 AZSKPIHFQQDXIA-IRXDYDNUSA-N 441.314 5.391 30 20 IKED COc1cccc(Cn2c(NC(=S)Nc3ccc(C#N)c(Cl)c3)nc3ccccc32)c1 727978887 DUWIWVMAXBIGOR-UHFFFAOYSA-N 447.951 5.427 30 20 IKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 728004769 FVTYRCJKKHQADK-AREMUKBSSA-N 437.499 5.040 30 20 IKED O=C(O)COc1ccc(/C=C2\CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)cc1 728438758 NCZXGJIUNXAYCY-RVDMUPIBSA-N 425.893 5.139 30 20 IKED N#C[C@@H](C(=O)CN(Cc1c(F)cccc1F)C1CCCC1)c1nc2ccccc2s1 729475424 ROOGKVUSXSYZEG-INIZCTEOSA-N 425.504 5.196 30 20 IKED COc1cccc(C=Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)c1O 730732163 DHNPNVVOXIXRGV-UHFFFAOYSA-N 428.410 5.100 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCOc3cccc(C=O)c3)cc2Cl)c1 731630830 WHUOOKJJBAVRID-UHFFFAOYSA-N 434.879 5.011 30 20 IKED COc1cc(C(=O)/C=C\c2ncc(-c3ccc(Br)cc3)[nH]2)ccc1OC(F)F 732714537 VBYYFLWEHVOGHV-CLFYSBASSA-N 449.251 5.345 30 20 IKED N#C[C@H](C(=O)NC1CCCCC1)C(=O)c1ccc(Oc2cccc(Br)c2)cc1 732900652 TUQHJSDALJEZJP-FQEVSTJZSA-N 441.325 5.013 30 20 IKED Clc1ccc(-c2noc(NN=Cc3cn(-c4ccccc4)nc3-c3cccnc3)n2)cc1 732925784 RXSSKNAUAAAASO-UHFFFAOYSA-N 441.882 5.084 30 20 IKED Cc1cccc(C)c1NC(=O)CCCOC(=O)c1cccc(COc2ccc(C#N)cc2)c1 734586045 MREATFXKXLCGAG-UHFFFAOYSA-N 442.515 5.330 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(OC3CCCCC3)cc2)ccc1OC 734934949 HWJHKHLQDDMVTE-HXUWFJFHSA-N 437.540 5.409 30 20 IKED O=C(/C=C/c1cc2ccccc2nc1N1CCOCC1)c1ccc(SC(F)F)cc1 734979321 BYWRWCGRHXRYMK-JXMROGBWSA-N 426.488 5.282 30 20 IKED C[C@H](NC(=O)COC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1cccs1 735163670 MWVROUFUHPHAHU-AWEZNQCLSA-N 440.908 5.100 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)NC(c3cccs3)c3cccs3)c2)s1 740057932 MUUYIKKZHWJCAW-UHFFFAOYSA-N 435.599 5.999 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740453182 ARUYTENGTLPYMF-INIZCTEOSA-N 432.574 5.860 30 20 IKED C=CCc1cc(CNCc2c(C)nn(Cc3ccc(Cl)cc3)c2C)cc(OC)c1OC 740898621 ZZZPBCLXOFHRFJ-UHFFFAOYSA-N 439.987 5.237 30 20 IKED Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)ccc1N[C@@H](C)c1cc(Cl)ccc1Cl 741280797 HIHBIIUXYMZNDB-LBPRGKRZSA-N 439.306 5.194 30 20 IKED COc1ccc(-c2cc(C(=O)OCc3nnc(-c4cccc(C#N)c4)o3)sc2C)cc1 741824931 BOYYPMAGDFNBMJ-UHFFFAOYSA-N 431.473 5.011 30 20 IKED C[C@H](CCc1ccccc1F)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 744027808 DUFBITHIFBVCOX-NQIIRXRSSA-N 430.479 5.534 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(C(=O)N(C)CC(C)(C)C)c2)cc1 744029828 WWSBGZNRXDMAGE-HSZRJFAPSA-N 447.579 5.108 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1C(F)(F)F 744062200 SEXAJURTTXEDKV-RDTXWAMCSA-N 439.462 6.071 30 20 IKED COc1ccc(CCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 747111350 FBTJDROBEJBPTJ-GOSISDBHSA-N 445.371 6.325 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccc(C(F)(F)F)cc2)n1 747198718 KOIJJBQPSQZJQB-FCEWJHQRSA-N 449.498 5.071 30 20 IKED Cc1csc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1Br 753999423 VPTYILQKCLHYMU-UHFFFAOYSA-N 435.130 5.147 30 20 IKED COc1ccc(CCCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(OC)c1 754533235 PIMMAXFATRHCEB-MRXNPFEDSA-N 442.487 5.305 30 20 IKED N#CCCn1ncc(C(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1-c1ccccc1 759174305 RMGDTEMKVSAORG-LJQANCHMSA-N 438.453 5.112 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)C2(c3c(Cl)cccc3Cl)CC2)ccc1OC 759218733 PWRCIIKLXRAKPT-HNNXBMFYSA-N 433.335 5.031 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3sc(-c4ccccc4)nc3C(F)F)o2)c1 761620466 BICXNALOFKUTNF-UHFFFAOYSA-N 438.415 5.026 30 20 IKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1sc(-c2ccccc2)nc1C(F)F 762023729 GRBOQEUIQOLBSV-LBPRGKRZSA-N 449.841 5.501 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CCOc3c(C)cc(C)cc3C2=O)cs1 763115994 IHUMVIDNEAJGEL-SFQUDFHCSA-N 436.508 5.632 30 20 IKED N#Cc1cc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)c(Cl)c([N+](=O)[O-])c1 764301163 JOMRGNKTLJDIQF-UHFFFAOYSA-N 433.276 5.078 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1 767951084 WVGVXBNVSXVZCP-SFHVURJKSA-N 446.551 5.783 30 20 IKED COc1ccccc1[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccco1 768969046 JELGJBCFYLXVBW-BVAGGSTKSA-N 437.499 5.855 30 20 IKED Cc1cc(C(=O)COC(=O)c2cn(CCCC#N)c3ccccc23)c(C)n1Cc1ccco1 769542963 CRCLZHAVIOTFRT-UHFFFAOYSA-N 443.503 5.044 30 20 IKED N#C[C@H](Cc1ccc(F)cc1F)OC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 774337009 YAQFWIWPQGIACB-HNNXBMFYSA-N 438.377 5.399 30 20 IKED CC[C@H](C#N)SC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1ccc(OC(F)F)cc1 780329969 PJMXCDYMETVJEO-LSCADSNKSA-N 443.475 5.076 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl 780500228 FGTHLXSZJWUWGR-KBPBESRZSA-N 436.364 5.907 30 20 IKED CC(=Nn1c(S)nnc1CSc1ccccc1)c1sc2nc(C)nc(C)c2c1C 782241100 OSGPLTOEGVCSNR-UHFFFAOYSA-N 440.623 5.061 30 20 IKED CC(C)CCOc1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 784969269 GONDYDKLFSYVLD-VWLOTQADSA-N 441.531 5.344 30 20 IKED Sc1nnc(SCc2ccccc2)n1N=Cc1cnc(-c2ccc(Cl)cc2)s1 788981793 WRTJIRYTXHIMFX-UHFFFAOYSA-N 444.010 5.518 30 20 IKED CN1C/C(=C/c2cnc(-c3ccco3)s2)C(=O)/C(=C\c2cnc(-c3ccco3)s2)C1 789127137 KSWFHZZSJRFSGT-SFGFDRCGSA-N 435.530 5.101 30 20 IKED N#CC[C@@H](CC(=O)OCc1csc(COc2ccc(Cl)cc2)n1)c1ccccc1 795982296 GTLLULCEWKPCHP-KRWDZBQOSA-N 426.925 5.506 30 20 IKED C#C[C@H](NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(Cl)cc1F 805775570 IDKGHGVAISWGJU-YHAQOWFVSA-N 444.778 5.362 30 20 IKED CC(C)(C)Oc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)nc1 815907776 KBEMWFRZDOQGAW-LJQANCHMSA-N 429.476 5.012 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H](CCCC#N)c2ccccc2)c(Cl)c1 817324654 LGIBDELVFOXQBG-FQEVSTJZSA-N 427.932 5.852 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915086459 JWWCVNCYIKKGRX-FQEVSTJZSA-N 441.512 5.810 30 20 IKED COc1cc(C)c([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC 915350191 KWWMQTIBCNPVJM-JPYJTQIMSA-N 429.520 5.550 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc2ccccc2n1 916848968 QPAXYPLTPZMGHQ-GOSISDBHSA-N 437.446 5.796 30 20 IKED C=CCc1cc(OCC)ccc1OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 916858885 INCAZCLQUOXUOI-UHFFFAOYSA-N 434.458 5.050 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C 916906802 JTHFCJYTDOAVQC-DFBJGRDBSA-N 441.575 5.800 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(NC(=O)OC(C)(C)C)c3)n2)cc1 916972052 JLXXBIRFMMJHOJ-LJQANCHMSA-N 433.533 5.956 30 20 IKED CCOc1ccccc1-c1nnc(S)n1N=Cc1cccc(OCc2ccccc2)c1 917030506 ZMKAVWMXDTVFCU-UHFFFAOYSA-N 430.533 5.094 30 20 IKED O=C(Cc1ccccc1)Nc1cc(N=Cc2cc(Br)ccc2O)ccc1F 917557102 XSTXENFGQJMUDG-UHFFFAOYSA-N 427.273 5.226 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4cccs4)n3)n2)cc1 920143605 SHSQWOSDFIYCLV-MRXNPFEDSA-N 437.571 5.423 30 20 IKED Cc1nc(O)c(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)cc1-c1ccccc1 1142766948 PBVXOYQPPDKKBM-OAHLLOKOSA-N 439.437 5.336 30 20 IKED COc1c(Cl)cccc1C(=O)NC1(c2ccc(NC(=O)[C@@H](S)C(C)C)cc2)CCC1 1786396211 RSMNASVTQFHDKJ-FQEVSTJZSA-N 447.000 5.051 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3nc(C(C)C)cs3)cc2)CCC1 1787005827 YEYCRDKSOBAJDF-UHFFFAOYSA-N 433.524 5.226 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)CCC1 1790312411 DYZAPFOLILRGDZ-UHFFFAOYSA-N 448.510 5.372 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(Cl)cc3F)C2)CC1 1805064933 UCBMCIIKDRZJNS-UHFFFAOYSA-N 434.983 5.316 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ncsc23)[nH]n1 1819306855 HGKSFWKCEMYSIF-OXQOHEQNSA-N 449.580 5.094 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccsc3[nH]2)[nH]n1 1819555964 MLLXKTTZIYKPAA-SFHVURJKSA-N 439.585 5.251 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3ccoc3c2)n[nH]1 1821458305 XHLUPHASVZGABS-PZJWPPBQSA-N 432.524 5.230 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1823755221 OEFJOHCIHKBWAG-BWKNWUBXSA-N 449.639 5.539 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2oc3ccccc3c2C)CC1 1828128998 ONAZPEOFPYISAY-ISKFKSNPSA-N 448.607 5.743 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3ncoc3c2)CC1 1829066849 WMACBOZXISSXAR-QFIPXVFZSA-N 437.584 5.054 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1 1829068162 IPBOSGVTPDETAV-RUZDIDTESA-N 449.639 5.103 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(F)cc2F)CC1 1830475643 PZNOAUWRAHOZEW-QVKFZJNVSA-N 438.946 5.064 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cccc([N+](=O)[O-])c1)=C(/S)Nc1cccc(Cl)c1 10830282 UNQIHBZNSJRYLD-UHFFFAOYSA-O 440.932 5.149 30 20 IKED N#CCC[C@@H](C#N)Cn1c([C@H](Cc2ccccc2)NC(=O)c2ccccc2)nc2ccccc21 14300953 FNTRMRLVVHJDGT-DHLKQENFSA-N 447.542 5.194 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)nnc1-c1cccc(C)c1 22212559 NMVLNXAFOQDOFM-OAHLLOKOSA-N 442.972 5.221 30 20 IKED CCOc1ccccc1OCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 303139334 DHVSKCKZJSLQBV-UHFFFAOYSA-N 436.895 5.207 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nc2cc(Cl)ccc2n1C 303265939 GGXMRAHCYORMPB-CYBMUJFWSA-N 430.986 5.209 30 20 IKED C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 303479834 SSBZCTUDUHOJAE-SXSPYAJSSA-N 429.564 5.210 30 20 IKED C=CCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 429971763 KUNKBPKAZQOHNB-UHFFFAOYSA-N 444.310 5.314 30 20 IKED CO[C@]1(C)CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 432081858 YTOREPLAGSHHFW-HSZRJFAPSA-N 427.932 5.214 30 20 IKED N#CCCn1cc(CNc2cccc(CSCc3ccccc3)c2)c(-c2ccncc2)n1 433329473 YGRNKKNKRONCQL-UHFFFAOYSA-N 439.588 5.904 30 20 IKED Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 437459954 FJLGMBLMEIACCI-UHFFFAOYSA-N 447.853 6.359 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(NC(=O)c2cccs2)c1 437675026 GHKNRSLEDPEBBM-RTWAWAEBSA-N 430.533 5.304 30 20 IKED N#CCC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 439300637 FOIQQPLQCDRSDN-UPVQGACJSA-N 428.923 6.162 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2nc(-c3cccc(O)c3)cs2)cc1 439534253 WLPBPQHYZFZQTK-UHFFFAOYSA-N 427.485 5.219 30 20 IKED C[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)N1CCSc2ccccc21 439556594 GHCCVQABPMPVHC-SFHVURJKSA-N 429.545 5.077 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl 442755111 RPDVVKHLLFJAOY-ZDUSSCGKSA-N 430.360 6.493 30 20 IKED CCN1CC[C@H](N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C[C@@H]1C 444032852 LBIPEDHNRXCOMA-LPHOPBHVSA-N 426.948 5.340 30 20 IKED Cn1ccnc1[C@@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 444858331 XZMXHZZNTMNYBB-NQIIRXRSSA-N 433.943 5.140 30 20 IKED CC(C)Oc1ccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 446859415 AWMLZUZLPLOWEU-JOCHJYFZSA-N 447.922 5.360 30 20 IKED CN(C(=O)COC(C)(C)C(F)(F)F)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 448340763 YCFRNYPJSGLUEM-GFCCVEGCSA-N 425.291 5.125 30 20 IKED CCOC(=O)[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)Cc2ccccc21 448412813 HLHHIGRAPWQJFC-QHCPKHFHSA-N 441.487 5.045 30 20 IKED CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)[C@@H](C)c2cccc(C#N)c2)c1 463268779 WOPFOTFYSRAYCE-PMACEKPBSA-N 425.532 5.410 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c2ccc(Br)cc2n1 464410442 WGIARXGGMDFOCU-OAHLLOKOSA-N 434.215 5.210 30 20 IKED CC(C)(C)[C@@H](C#N)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 464710881 LQMFBWAXJZYWID-ZRNYNZGJSA-N 434.521 5.190 30 20 IKED C=CCn1c(SCC(=O)N(C)c2cccc3cccnc23)nnc1-c1ccc(Cl)cc1 466374380 RWWCYEXDGLBJFH-UHFFFAOYSA-N 449.967 5.088 30 20 IKED C[C@@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(F)cc1F 466432838 APJDIBFOQNUKET-HNNXBMFYSA-N 434.446 5.014 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)cc1F 470526841 FBDGPGMRPDXALZ-QFIPXVFZSA-N 443.400 5.321 30 20 IKED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470556521 PUPMXBRDEZEESZ-KRWDZBQOSA-N 430.508 5.241 30 20 IKED CN(CCc1cccc2ccccc12)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470567083 SHTUBWZHLKSHRJ-UHFFFAOYSA-N 440.547 5.129 30 20 IKED C=CCn1c(SCC[C@H](C)OCc2ccccc2)nnc1[C@H]1COc2ccccc2O1 473412785 QKKNNUOTYGUAKM-PGRDOPGGSA-N 437.565 5.064 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2cc(Oc3cccc(Br)c3)ccn2)nc2ccccc21 474826702 CCWAMFKNAHNDCL-KRWDZBQOSA-N 447.292 5.013 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 476120409 CCPRYNIIAYBRTL-UHFFFAOYSA-N 440.609 5.274 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cn(-c2ccc(Br)cc2)nc1C 476807066 SZPUYQDHJXOALU-UHFFFAOYSA-N 438.369 6.047 30 20 IKED N#Cc1ccc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@H](F)C(F)(F)F)(C4)C3)nc1 477100193 QNRXYIATLALQDJ-QGQWTOSVSA-N 431.380 5.014 30 20 IKED C=C(C)[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccc(F)c(F)c1 480282678 MFWRVFVIQKKSFD-HXUWFJFHSA-N 445.853 5.902 30 20 IKED COc1cc([C@@H](C)NCc2ccc(C#N)cc2Br)ccc1OC1CCCC1 481330054 KUQCKOYBFOVLEQ-OAHLLOKOSA-N 429.358 5.502 30 20 IKED N#Cc1ccc(N2CCC[C@@H](Sc3nnc(-c4ccc5ccccc5c4)o3)C2=O)cc1 484516333 PUCVBUDAFPWTRS-OAQYLSRUSA-N 426.501 5.049 30 20 IKED C=CCn1c(SCCC(=O)Nc2ccc(OC)c(Cl)c2)nnc1-c1ccc(F)cc1 488531010 DSTGGEFAUBPISD-UHFFFAOYSA-N 446.935 5.053 30 20 IKED C=CCOc1ccccc1C(=O)N1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1 490112498 NJLFAEGQVDSEKG-UHFFFAOYSA-N 432.486 5.007 30 20 IKED C=CCN(CCc1ccco1)C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 493902761 GPSADNKFUQCOGT-UHFFFAOYSA-N 448.910 5.931 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)C2(Cc3cccc(F)c3)CCOCC2)cc1 497654353 QEKXZOULKNCAGG-UHFFFAOYSA-N 428.507 5.020 30 20 IKED COc1cccc(/C=C(\CC(=O)Nc2ccc(CC#N)cc2)c2nc3ccccc3s2)c1 500389103 YZANRYAYMXOHRK-HMMYKYKNSA-N 439.540 5.940 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 502102649 ZUAIFMBAESQRLL-CVEARBPZSA-N 449.366 5.865 30 20 IKED Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)Nc4cc(C)n(CCC#N)n4)cc3)sc2c1 504393020 AZJVADKNPUKHTG-KRWDZBQOSA-N 444.564 5.129 30 20 IKED Cc1cc(Br)cc2cc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)oc12 507266027 HQJNQOIAGPHZAI-UHFFFAOYSA-N 439.309 5.059 30 20 IKED C[C@H](CC(=O)c1ccccc1F)C(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 508105724 UJEAPTXZBYTNOF-PIGZYNQJSA-N 435.339 5.473 30 20 IKED CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509857063 WVHJMXHUNYIOGJ-UHFFFAOYSA-N 443.503 5.114 30 20 IKED CC(C)c1nc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)nn1-c1c(Cl)cccc1Cl 510386764 PYNWTZLVUSFDSG-LBPRGKRZSA-N 439.306 5.064 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1cccnc1Oc1ccc(Br)cc1 512865055 RAILWJONQGNCMM-UHFFFAOYSA-N 438.281 5.159 30 20 IKED CN(CCCNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1F 517472296 AKZZMKZXIJNELU-UHFFFAOYSA-N 433.552 5.246 30 20 IKED Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CC(=O)N(CCC#N)c2cccc(Cl)c2)n1 517658462 KHCDUYFWNXIWPA-UHFFFAOYSA-N 448.741 5.161 30 20 IKED Cc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 518078726 JOFODXGXVHXKAR-QGZVFWFLSA-N 447.922 5.471 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(C(=O)NC4CCCC4)cc3)cc2)cc1 518374456 KCGUBPHPHDIRAO-UHFFFAOYSA-N 439.515 5.470 30 20 IKED Cc1ccc(Cn2nc(C)c(CCC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)c2C)cc1 518536493 ZUDWAVFNEIGXLV-UHFFFAOYSA-N 442.607 5.346 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc2ccccc2n1C(F)F 519413428 VKAIJRVMEUVKNG-ZDUSSCGKSA-N 432.521 5.556 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1)c1ccccc1 520237590 UOTXFSIUEOLGHW-UHFFFAOYSA-N 433.458 5.297 30 20 IKED C=CCN(C(=O)Nc1ccc2oc3ccccc3c2c1)[C@@H](C)c1cccc(-n2cnnn2)c1 520937312 YINRVBFXMNJEAP-KRWDZBQOSA-N 438.491 5.343 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@@H](C)C(C)(C)C)nnc1-c1ccc(Cl)cc1Cl 521347450 QHDROPAGBMZAJC-ZDUSSCGKSA-N 441.428 5.423 30 20 IKED CN(C)CCOc1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 522640566 PMFBPOXHOYGEGV-UHFFFAOYSA-N 435.911 5.197 30 20 IKED C=CCc1cc(CNC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc(OC)c1OC 522692971 JLIMZMXCVDRTBM-UHFFFAOYSA-N 433.552 5.003 30 20 IKED Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C)n1-c1nccs1 524706638 BMTZSUANMBUIMO-NRFANRHFSA-N 446.963 6.112 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Cn3ccnc3)cc2)cc1Cl 524707313 IXIKMNOWEUYPTB-QHCPKHFHSA-N 426.907 5.493 30 20 IKED C[C@@H](c1cccs1)N(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1 533252793 GUOVOUKQUWOVEN-IBGZPJMESA-N 441.560 5.007 30 20 IKED CCc1ccccc1N(C(C)=O)c1nc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)cs1 535206543 NJPIOVOMAWJZQZ-NOZRDPDXSA-N 444.604 5.662 30 20 IKED N#CC1(NC(=O)c2oc3ccccc3c2CSc2ccccc2F)CCSCC1 535318602 PBVPLYUOYMWZQX-UHFFFAOYSA-N 426.538 5.383 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)cc1 537926799 KDOWYVNOGBXBSU-CJFMBICVSA-N 443.503 5.258 30 20 IKED Cc1ccc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)cc1NC(=O)C(C)(C)C 538052738 XAMCLDZVWVMDJM-UHFFFAOYSA-N 440.547 5.840 30 20 IKED C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(-c2ccncc2)cc1 538239237 PUTBUPBBRRENFX-KRWDZBQOSA-N 430.577 5.240 30 20 IKED Cc1cc([C@@H](C#N)C(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)nc(C)n1 540778282 HERNPNWRFOVGGG-LJQANCHMSA-N 444.564 5.254 30 20 IKED Cc1ccnc(OC2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CC2)c1 541093273 MAEZUXQOLUZWSY-UHFFFAOYSA-N 446.482 5.268 30 20 IKED Cc1ccc(CN(CCO)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 542108463 GBBFDLCIPKGXNP-HSZRJFAPSA-N 433.939 5.330 30 20 IKED N#C[C@H](C(=O)c1cnc(OCC2CC2)c(Cl)c1)c1nc(-c2c(F)cccc2F)cs1 543213579 BZSJUHXJWJCCPG-CYBMUJFWSA-N 445.878 5.416 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N[C@H](c3cccc(F)c3F)C(F)(F)F)o2)cc1 544059742 GOWAYORXZLMOHZ-LJQANCHMSA-N 436.336 5.042 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(OC(F)F)cc2F)cc1 548914456 QTALXVNCDPPVJU-UHFFFAOYSA-N 428.435 5.843 30 20 IKED CC1(C#N)CCN(c2nnc(Cc3cccc4ccccc34)n2Cc2cccs2)CC1 549562063 CVWMAPVAKHYLIU-UHFFFAOYSA-N 427.577 5.262 30 20 IKED C[C@H]1C[C@H](c2ccccc2)N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 562133556 MLZHFEUIQCQQKV-RXFWQSSRSA-N 425.532 5.947 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)C(C)(C)c1csc(-c2c(F)cccc2Cl)n1 564411954 NZZLDLDLSXCLGL-UHFFFAOYSA-N 427.932 5.410 30 20 IKED N#Cc1c(NC(=O)c2ccc(COc3cccc(Br)c3)o2)sc2c1CCC2 603750089 BQWITRWSFYXHML-UHFFFAOYSA-N 443.322 5.295 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)o1 603872488 VZFAGTNATQPAMG-VWLOTQADSA-N 426.447 5.389 30 20 IKED N#Cc1c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)sc2c1-c1ccccc1CC2 603992012 MEQQBIPNUQZWHC-UHFFFAOYSA-N 431.498 5.761 30 20 IKED CN(C)Cc1cc(CNCc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)ccc1F 604417146 HRCILUNHBWVEKW-GOSISDBHSA-N 438.387 5.049 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cnn(Cc4ccccc4)c3)cc2Cl)c1 609073007 QVCHFHNCPFLSFK-UHFFFAOYSA-N 442.906 5.288 30 20 IKED C[C@@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 609387047 HORIIRMTFQAHRG-OALUTQOASA-N 431.561 6.170 30 20 IKED Cc1sc2ncnc(SCCC(=O)Nc3ccccc3S[C@H](C)CC#N)c2c1C 609430642 SGCMNHPHWYNHQU-CYBMUJFWSA-N 442.635 5.823 30 20 IKED COc1ccc(C)cc1-c1csc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)n1 609497916 UYYANGMCOYCIRY-UHFFFAOYSA-N 442.500 5.438 30 20 IKED N#Cc1ccc(-n2nccc2NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)cc1 609580916 HUPWRIIUHLAILJ-UHFFFAOYSA-N 446.841 5.883 30 20 IKED COc1ccc(CN(C)C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1OC 609729832 VHJQHVJNDMWTRR-UHFFFAOYSA-N 436.895 5.293 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)NCc3cccc(COCc4ccco4)c3)c2)cc1 609986897 KMRXSRBDLUVDPD-UHFFFAOYSA-N 437.499 5.542 30 20 IKED C[C@H](N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cccc(C#N)c1 610346591 YBOBNNTVPJLZPI-NYHFZMIOSA-N 434.883 5.150 30 20 IKED C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cccc(NC(=O)Cc2ccccc2F)c1 611390713 QEBSIXIZMDPXAX-QYBDOPJKSA-N 427.523 5.607 30 20 IKED CCc1cc(Oc2cnc(-c3noc(CNc4ccc(C#N)cc4)n3)cn2)ccc1Cl 612980656 BIUFEPNUKJYKOG-UHFFFAOYSA-N 432.871 5.018 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)s2)o1 613403268 CGXQDKNEDADRFK-GFCCVEGCSA-N 447.463 6.139 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC[C@@H]1c1cccc(F)c1 615683145 NLKYCWBJQPFFJU-XJKCOSOUSA-N 426.376 5.582 30 20 IKED CC(C)(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc2ccccc2c1 615882083 AQDMJLTVCSFEME-UHFFFAOYSA-N 425.532 5.339 30 20 IKED N#C[C@@H](C(=O)c1cccn1Cc1cccs1)c1nc2cc(C(F)(F)F)ccc2s1 617898135 LBRSMWTUCGVSIW-AWEZNQCLSA-N 431.464 5.716 30 20 IKED O=C(NCC1(c2ccc(F)cc2)CCC1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 623854360 AQFZKAZJGQLIIJ-KBPBESRZSA-N 426.376 5.020 30 20 IKED O=C(NCC1(Cc2ccc(F)cc2)CC1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 678371310 HRQVAWUSGBQXCZ-KBPBESRZSA-N 440.403 5.357 30 20 IKED C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 679595797 FTIYSCBQSFXLKM-JCIQBVFBSA-N 428.339 5.268 30 20 IKED CCn1ncc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1-c1ccccc1 683156754 CHOFLQYDSMFKHH-HNNXBMFYSA-N 440.450 5.689 30 20 IKED COC(=O)Nc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 726073532 HNLYXTCTCQLMEI-UHFFFAOYSA-N 432.455 5.110 30 20 IKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2)C(=O)N1C1CCCC1)c1cccs1 726419665 GHVIQJSYRIHEJG-REEHFQDMSA-N 427.595 5.081 30 20 IKED C[C@H](C#N)Oc1ccc(/C=C2\CSC/C(=C\c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1 727743746 HEJXZUVVQYKXMT-YVTMJVLISA-N 430.529 5.051 30 20 IKED N#C[C@@H](C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 728766078 WZTFDKXMXVAAPD-UONOGXRCSA-N 442.384 6.228 30 20 IKED Cn1c([C@H](C#N)C(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)nc2ccccc21 730686464 PLSIVAQIIAHSIW-HXOBKFHXSA-N 433.870 5.362 30 20 IKED N#C[C@@H](C(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1nc2ccccc2s1 730688085 ZFKVIDIXWZYAKJ-AOMKIAJQSA-N 436.895 6.085 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)/C=C\c1ccc(C(C)(C)C)cc1 731070471 LYIYOGRCVVFWSE-RMHQSFGDSA-N 436.577 5.573 30 20 IKED C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 732023690 VHIRVENRFMRKPI-XMERXJNXSA-N 426.516 5.536 30 20 IKED CCOc1ccc(C(C)=NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1OCC 733080116 FFXZIQLSZFLALL-UHFFFAOYSA-N 445.445 5.191 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)c1 733803459 XPMQEFZXMWSJHC-NQIIRXRSSA-N 448.592 5.668 30 20 IKED C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 734323636 UYVXQARUQZMRQM-KYTVRQNUSA-N 426.516 5.128 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)NCc3cccnc3OC3CCCC3)c2)s1 740033045 LBJJFFBIYBIXIZ-UHFFFAOYSA-N 432.549 5.003 30 20 IKED Cc1c(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cccc1C(=O)N1CCCC1 740443240 BXFSCAHJRWUELZ-UHFFFAOYSA-N 444.560 5.153 30 20 IKED CCN(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl)[C@H](C)c1ccc(C#N)cc1 740779437 PHCCAALVXJSJPQ-OAHLLOKOSA-N 427.932 5.782 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(SC(F)F)c(OC)c2)c(SC)cc1OC 741165413 MHFAJSQUQIEILC-ALCCZGGFSA-N 426.506 5.645 30 20 IKED N#Cc1ccccc1Oc1ccc(NCC(=O)Nc2ccccc2SC(F)F)cc1F 742464639 VPANBCFZCWMARO-UHFFFAOYSA-N 443.450 5.855 30 20 IKED N#C[C@@H](C(=O)CCCOc1ccc(F)cc1F)c1nc(-c2ccc(Cl)cc2)cs1 743446610 ABPBWFRMPJNFEA-INIZCTEOSA-N 432.879 5.777 30 20 IKED COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)Nc1sc(C)c(C)c1C#N 744352531 LMOZWEPSKLTYFT-UHFFFAOYSA-N 435.933 5.498 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3sc4cc(Cl)ccc4c3Cl)o2)cc1 744467167 LZVGLORTRWRCAJ-UHFFFAOYSA-N 430.272 5.487 30 20 IKED COc1ccc(CNC(=O)N(C)[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)cc1C#N 746774759 BHKLFZFNTHYXPN-KRWDZBQOSA-N 434.565 5.210 30 20 IKED N#Cc1ccsc1C(=O)O[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 748099928 GDPHNRWINZECGK-KRWDZBQOSA-N 430.407 5.175 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 750818796 DJAFLDWISPZINH-IBGZPJMESA-N 436.265 5.265 30 20 IKED O=C(/C=C/c1ccc(-c2ccncc2)cc1F)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 751535038 LNCDVZQUTHQVPU-VMPITWQZSA-N 449.425 5.120 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1 751954282 AFDXVZUBVLJRMZ-HSZRJFAPSA-N 449.551 5.078 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(-c2ccncc2)cc1F 752721856 HKHDUCDVLDREEJ-UHFFFAOYSA-N 440.503 5.517 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H](C[C@H]3CCOC3)c3ccccc3)c2)s1 753064653 MNGZNSQDLCUWQF-XXBNENTESA-N 431.561 5.254 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1cc(Cl)sc1Cl)c1nc2cc(Cl)ccc2s1 756241940 MEDCCCQUQPXUJA-SNVBAGLBSA-N 443.764 6.157 30 20 IKED C=CCOc1ccc(C(=O)c2ccccc2)c(OC(=O)c2csc([C@H]3CCCO3)n2)c1 756509294 NSFHOIDSLPHPBZ-HXUWFJFHSA-N 435.501 5.010 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2ccccc2NC(=O)OC(C)(C)C)cc1 756516042 PIUNZBHZTVSMNP-UTKZUKDTSA-N 449.551 5.437 30 20 IKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1C1CC(F)(F)C1 757898553 PLZUAQOMWLRBFU-IBGZPJMESA-N 443.519 5.007 30 20 IKED CN1C(=O)CCc2cc(C(=O)[C@H](C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)ccc21 759216870 GUSGHKGDQXEDSQ-HGXUUCJMSA-N 445.588 5.010 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(C(F)(F)F)ccnc1Cl 759778888 NSHBXTZQKHBPNI-UHFFFAOYSA-N 445.828 5.765 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1oc2ccccc2c1CSCc1ccccc1 760801978 RBGJQXNDCLMROZ-UHFFFAOYSA-N 446.503 6.160 30 20 IKED N#C[C@H](C(=O)CCCc1cc(F)ccc1F)C(=O)Nc1ccccc1Oc1ccccc1 762026200 RGAXXFIUSWZEGV-HXUWFJFHSA-N 434.442 5.427 30 20 IKED C#CCOc1ccc(Br)cc1CNc1cccc(C[S@@](=O)C(C)(C)C)c1 770578272 BJVKJWFKHWGRQD-AREMUKBSSA-N 434.399 5.120 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2Cl)ccc1OC 772986639 PTSJWOJBPYCXAT-GXTWGEPZSA-N 427.759 6.187 30 20 IKED Clc1cncnc1NN=C1CCCc2nc(-c3ccccc3Br)sc21 780282658 NQJREUKZCUICQK-UHFFFAOYSA-N 434.750 5.169 30 20 IKED C[C@@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1nnc(-c2ccccc2F)s1 783439987 HLPBMVACSLPYFO-CQSZACIVSA-N 449.463 5.306 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](O)c1cc(F)cc(Cl)c1 785732093 BHODQWSZWGUPKQ-JOCHJYFZSA-N 439.874 5.307 30 20 IKED C[C@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1cccc(N2CCOC2=O)c1 788490224 ZAMHBAXIMSGJAY-NRFANRHFSA-N 425.532 5.194 30 20 IKED COc1cccc([C@H](C)CCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 789410545 XYFJQONTQKOLBQ-VGOFRKELSA-N 429.545 5.841 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 789457058 RBDKXNFGGNDBEN-BVSLBCMMSA-N 441.616 5.696 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCc1ccccc1NC(=O)OC(C)(C)C 790752334 VVGCZPFXOBPKQZ-UHFFFAOYSA-N 435.568 5.523 30 20 IKED COc1cc(C(=O)/C=C\c2cnc(-c3ccccc3OC)nc2)ccc1SC(F)F 792887201 YSBFIKQDNNDRMR-CLFYSBASSA-N 428.460 5.372 30 20 IKED C#C[C@@H](NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1)c1ccc(Cl)cc1 794051993 UKYGIWDYULIVIL-HXUWFJFHSA-N 433.920 5.126 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(-c2ccc(OC(C)C)cc2)cc1F 795142296 KOSZPHCOXDUWIQ-UHFFFAOYSA-N 447.510 5.440 30 20 IKED COc1ccc(-c2cc(C(=O)N3CCC(C#N)(c4ccccn4)CC3)c3ccccc3n2)cc1 800119441 PRGYCMXIRIYYOK-UHFFFAOYSA-N 448.526 5.003 30 20 IKED CCOC(=O)C(C)(C)CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 805857179 OQHNEUDPITWOFH-CYBMUJFWSA-N 425.337 5.273 30 20 IKED CCO[C@H](c1noc(-c2ccnc(C(F)(F)F)c2)n1)c1ccc(F)cc1C(F)(F)F 809532608 HTKWYNMJUBIUEP-AWEZNQCLSA-N 435.299 5.434 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(C(F)(F)F)nc1Cl 817861718 GUFHYRLUVSRKCT-GFCCVEGCSA-N 446.816 5.304 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)nnc1-c1cccc(C)c1 855522250 SVUJBSIFOQJOJO-LJQANCHMSA-N 447.608 5.159 30 20 IKED CN(Cc1ccc(NCc2cc(C#N)ccc2Br)cc1)C(=O)OC(C)(C)C 864039410 DHXCUDZSYIJNLH-UHFFFAOYSA-N 430.346 5.300 30 20 IKED C=C[C@@](C)(O)Cc1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1 904670523 ONVHHEDAPPNIHS-GOSISDBHSA-N 425.794 5.076 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1 915179730 HFYJCZMQYAXSRO-HSZRJFAPSA-N 427.504 5.786 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(N3CCCC3)cc2)cc1 916720701 MLZJEKVTGIBOTQ-UHFFFAOYSA-N 440.547 5.254 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Oc2ccccc2-c2ccccc2)CC1 916878810 VJCQBMRWPQFTOH-UHFFFAOYSA-N 439.471 5.295 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cccc(Oc2ccccc2)c1 916901985 URFWULVTKPAXDN-LJQANCHMSA-N 434.879 5.411 30 20 IKED N#C[C@H](C(=O)/C=C\c1cc(Br)ccc1F)c1nc2ccccc2n1C(F)F 917040642 NETWWYDILMRGSK-DMTLFAOVSA-N 434.215 5.223 30 20 IKED N#C[C@@H](C(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1)c1nc2cc(Cl)ccc2s1 917047000 OHJIARZXBXWWHX-YJBOKZPZSA-N 445.931 5.332 30 20 IKED Cc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(Cl)c(Cl)c2)cc1 917613153 LWXHDCFKGDXAGM-UHFFFAOYSA-O 441.363 5.784 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCCCC4(F)F)cc3)CCC2)cc1 1786466112 PTZPHCRFRWBKFM-OAQYLSRUSA-N 437.490 5.131 30 20 IKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccsc4)cc3)CCC2)c1 1786944271 UXPQSFINMKCAJU-YCRREMRBSA-N 445.519 5.220 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc4nc(C)ccc4o3)cc2)CCC1)C(F)(F)F 1788323239 BRRKZPJJPGHRPT-UHFFFAOYSA-N 443.425 5.002 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3oc4ccccc4c3C)CCC2)cc1)C(F)(F)F 1791303367 VARSANKDKYIFJQ-UHFFFAOYSA-N 442.437 5.607 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1ccc(C)cc1 1796466063 IFWYJXVXVFLAII-NUNAXRQHSA-N 445.607 5.301 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(C)(C)C)nc2)[nH]n1 1819300455 CTJKBCBCMGOIBE-TZIWHRDSSA-N 449.599 5.177 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCCn2cccc2)[nH]n1 1819554467 ARHIWHLFYFSEIY-OAQYLSRUSA-N 439.604 5.066 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(OC)c2C)n[nH]1 1823115127 VPSHMYWOMNEWHO-FQEVSTJZSA-N 438.572 5.025 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)nc2F)CC1 1825374886 PEKJBEKPQIDJJB-LJQANCHMSA-N 449.998 5.100 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)s2)CC1 1828823887 YGFAVRLAXGPHTG-OALUTQOASA-N 435.033 5.403 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3occ(Cl)c3c2)CC1 1831375168 OASKADOORMIYBD-VGSWGCGISA-N 442.987 5.532 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3CCCCC3)CC2)c1 1832635183 WKOSTZCQXGDDIV-CPJSRVTESA-N 435.612 5.127 30 20 IKED COCCCn1c(SCCCC#N)nc2scc(-c3ccccc3Cl)c2c1=O 58156579 CFSZEUFPXFUOOL-UHFFFAOYSA-N 433.986 5.211 30 20 IKED C=CCN(C(=O)CCCC1CCCCC1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 60641511 XUUVFHXUCAJFHT-UHFFFAOYSA-N 446.638 5.483 30 20 IKED CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 62882980 IPMXBSQRSDFJAF-FQEVSTJZSA-N 442.515 5.587 30 20 IKED C=CCN(C(=O)[C@@H](C)OC[C@@H]1CCCO1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 109195814 KHUDRYUCBPQNLH-HIFRSBDPSA-N 441.380 5.220 30 20 IKED C=CCn1c(-c2sc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)nc2C)n[nH]c1=S 111199906 MCHTUKPAGBABLV-UHFFFAOYSA-N 449.989 5.008 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2nc(-c3ccccc3)oc2C)cc1 116525145 XEXINBIARJZOMM-UHFFFAOYSA-N 439.471 5.504 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)cs1 247706631 FQCRRFGWHYRLCC-KRWDZBQOSA-N 429.328 5.956 30 20 IKED C=CCn1c(SCC(=O)Nc2cccc(Oc3ccccc3)c2)nnc1-c1ccncc1 255930147 YCFKCBMHAVVLGH-UHFFFAOYSA-N 443.532 5.049 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3C[C@H]3c3c(F)cccc3Cl)c2)c1 303783807 HBSRBWUWBLCDEH-MOPGFXCFSA-N 433.870 5.345 30 20 IKED N#Cc1ccccc1NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc3c(c1)OCO3)CC2 409724173 WLASLEIMRCLEIZ-QGOAFFKASA-N 445.478 5.574 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(C(F)(F)F)ccc1Br 432679333 OARNOSQGFFFGAV-NSHDSACASA-N 443.288 6.114 30 20 IKED COc1ccc(-c2ncc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)s2)cc1OC 435856575 OFJNKVCEURSVDQ-AWEZNQCLSA-N 439.562 5.474 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 437810662 MKRUEIWLLNZKKU-RPWUZVMVSA-N 430.552 5.006 30 20 IKED CC[C@](C)(NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1nc(C)cs1 437886735 CGSSTKJTAUIJIV-QHCPKHFHSA-N 433.537 5.022 30 20 IKED N#CC1(NC(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)CCOCC1 440717661 LQYVPOMEBUPACY-UHFFFAOYSA-N 426.925 5.181 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)Nc1ccc(OC2CCCCC2)cc1 440883715 DFBORCJYRAOVNF-KRWDZBQOSA-N 437.565 5.370 30 20 IKED COCc1nc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c(-c2ccccc2)s1 441306053 WLLAOPOJSCPCJE-INIZCTEOSA-N 432.332 5.258 30 20 IKED Cc1ccc(Sc2c(Cl)cccc2NC(=O)C(=O)N(C)Cc2cccc(C#N)c2)cc1 441649817 HSEVHLDAVJUNQX-UHFFFAOYSA-N 449.963 5.268 30 20 IKED C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(Br)s1 444537248 YJGSNVRTWONUTH-LBPRGKRZSA-N 431.311 5.045 30 20 IKED CN(C(=O)NC1CCC(Oc2ncccc2C#N)CC1)C1c2ccccc2-c2ccccc21 446628613 NKRVKSSPXQTPNC-UHFFFAOYSA-N 438.531 5.055 30 20 IKED N#Cc1cccc(-c2nnc(N3CCC[C@@H]3c3cccc(Cl)c3)n2C[C@H]2CCCCO2)c1 461825780 GJWXNONESFEOHX-DHIUTWEWSA-N 447.970 5.381 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(-c2ccccc2OC)cc1 466062686 CHZCKGBAHGEBRS-FQEVSTJZSA-N 427.548 5.917 30 20 IKED CC(C)(C)Oc1cccc(CCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)n1 467830225 KKGXECSXUJMXOQ-UHFFFAOYSA-N 443.547 5.475 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)cc1Cl 468109512 KTWVDKLIUCDWNS-YHUYVZNPSA-N 434.845 5.290 30 20 IKED N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(Oc3ccc(F)cc3)c3ccncc23)cc1 470891185 LRQSWYBOXTVUHS-IBGZPJMESA-N 436.446 5.359 30 20 IKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)cc2)cc1 474449645 VCLCKSLINHIIEN-HXUWFJFHSA-N 438.574 5.039 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CSc1nnc(-c2ccccc2C)n1CC 476083154 ZZJFYKVJNSYQBF-UHFFFAOYSA-N 434.609 5.856 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 476128134 BENJBJJNXSAVDR-UHFFFAOYSA-N 446.616 6.814 30 20 IKED N#Cc1ccc(S(=O)(=O)N2CCC(c3cccc4ccccc34)CC2)c(C(F)(F)F)c1 477313436 DXHVABPJJLJGRC-UHFFFAOYSA-N 444.478 5.299 30 20 IKED Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1occc1COc1cccc(C#N)c1 480183779 XYPAXBBKKLJMQK-UHFFFAOYSA-N 431.492 5.276 30 20 IKED Cn1ccnc1C[C@@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 483049700 JIYFSKUKGOPVOE-AVRDEDQJSA-N 447.970 5.216 30 20 IKED C=CC[C@@H](C(=O)N1CCC(c2nc(-c3ccccc3OC)cs2)CC1)c1ccccc1 483061530 ZUXWHQJSXHVSAS-OAQYLSRUSA-N 432.589 5.885 30 20 IKED Cc1noc2nc(-c3ccccc3)cc(C(=O)N(CCC#N)C34CC5CC(CC(C5)C3)C4)c12 486571161 LTDGUVXXAQQBRG-UHFFFAOYSA-N 440.547 5.523 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(Br)cc1Cl 487184849 JXHMZKLMBBZAJK-UHFFFAOYSA-N 439.785 5.168 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(Oc3ccncc3C)CC2)cc1 487217019 GOMNBEJVANBJQD-UHFFFAOYSA-N 427.504 5.046 30 20 IKED C=CC[C@H](C(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)c(C)s1)c1ccccc1 488608048 NEWZSKFJMSHNML-SFHVURJKSA-N 425.579 5.115 30 20 IKED C[C@@H](c1ccc(OC(F)(F)F)cc1)[S@@](=O)Cc1cc(C#N)ccc1Br 491611888 DXVOCFPJQNHDKB-FTJNGKRUSA-N 432.261 5.229 30 20 IKED Cc1ccc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1[N+](=O)[O-] 492964002 UZVXFDHQVQJYDK-SFHVURJKSA-N 446.482 5.387 30 20 IKED C[C@@H](CC(F)(F)F)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 496334655 WLEMDVDHZAOHHU-VIFPVBQESA-N 436.381 5.087 30 20 IKED Cc1cc(-c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)c3c(C)noc3n2)c(C)s1 498700745 YEIVXHXJAVGUGO-MRXNPFEDSA-N 444.541 5.976 30 20 IKED Cc1csc(Sc2ccc(C(=O)N[C@H](C#N)c3ccc(Cl)cc3)cc2[N+](=O)[O-])n1 499858611 CXBPYKAZAOMYGC-OAHLLOKOSA-N 444.925 5.159 30 20 IKED N#Cc1cccc(-c2nnc(CN3CCC(F)(c4ccccc4C(F)(F)F)CC3)o2)c1 499945728 LNJMIQDIOJSKRX-UHFFFAOYSA-N 430.405 5.088 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1oc2ccccc2c1COC 501782466 VHUCLPQHDJCFRO-UHFFFAOYSA-N 432.289 5.309 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 509670871 MMIOIYDFJURRAS-UHFFFAOYSA-N 445.478 5.457 30 20 IKED Cc1cccc(C)c1OCCCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 510609663 RKWDPOWMSNXSQF-UHFFFAOYSA-N 443.547 5.539 30 20 IKED C=CCn1c(SCc2cnc(C)cn2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 511079233 DUUTYGRCKMJBRX-UHFFFAOYSA-N 438.553 5.149 30 20 IKED COc1cc(F)c([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC 512523017 CBHVEUPJMFKKDQ-OAHLLOKOSA-N 435.455 5.390 30 20 IKED C[C@H](N[C@H](C)c1ccc(C#N)cc1F)c1nc(-c2ccc(Br)cc2)cs1 512672365 KAEKRFIGQLGMPN-OLZOCXBDSA-N 430.346 5.995 30 20 IKED N#C[C@H](C(=O)c1ccccc1OCCOc1ccccc1)c1ccc(C(F)(F)F)cn1 513213144 CYZFPRUPYLHVDR-IBGZPJMESA-N 426.394 5.048 30 20 IKED COc1ccc([C@@H]2CCCCCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 515101005 HNTUIHZLAJGNQV-QHCPKHFHSA-N 446.576 5.763 30 20 IKED O=C(NCc1ccccc1OC(F)(F)F)Nc1ccc(OC(F)F)cc1OC(F)F 515248927 RNUNLHBPUYMXCM-UHFFFAOYSA-N 442.287 5.110 30 20 IKED C=CCn1c(SCc2csc(-c3ncccn3)n2)nnc1-c1ccc(C(C)(C)C)cc1 515425062 PRNUEDWSGHMIRS-UHFFFAOYSA-N 448.621 5.634 30 20 IKED N#Cc1c(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)sc2c1-c1ccccc1CC2 515623846 BBLBNCITUGHFEJ-LJQANCHMSA-N 430.529 5.195 30 20 IKED N#Cc1ccc(S(=O)(=O)N(Cc2cccs2)Cc2cccs2)c(C(F)(F)F)c1 515731825 TZPFWOFFESWFLQ-UHFFFAOYSA-N 442.509 5.091 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 517530505 USAMBIQWDSLFJC-MRXNPFEDSA-N 436.512 5.729 30 20 IKED N#Cc1ccc(N2CCC[C@H](NC(=O)Nc3ccccc3COc3ccccc3)C2)c(F)c1 517600314 QNPLAERMUGLSOY-NRFANRHFSA-N 444.510 5.067 30 20 IKED C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@H]1c1nc2ccccc2s1 517626913 MKVGXUHQOMEKBA-AZUAARDMSA-N 429.549 5.092 30 20 IKED N#Cc1cccc(OCCCCC(=O)N(c2ccccc2)c2nc3ccccc3s2)c1 517655183 YYUBFYAZVPXFRP-UHFFFAOYSA-N 427.529 6.082 30 20 IKED C[C@H]1CCC[C@H](OCc2cccc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)c2)C1 518227103 XSNOWPKMSJWBRF-OFVILXPXSA-N 447.579 5.447 30 20 IKED C[C@H]1c2ccsc2CCN1C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 521196113 ZSCQECYBBPQWQK-MGPUTAFESA-N 449.963 5.141 30 20 IKED C[C@H](COCC(F)(F)F)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 521465967 CYDNFRGPYFWGKH-DYVFJYSZSA-N 425.838 5.084 30 20 IKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)N1CCc2sccc2C1 521733770 KBHHCJWJUVMVEB-CYBMUJFWSA-N 439.528 5.158 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1Cl 522474808 QHHRZVUSOPBKDB-HXUWFJFHSA-N 433.920 5.344 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1 522789333 MEWOJWVCLKQIDH-AREMUKBSSA-N 440.547 6.094 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1C 523536411 XHRNLAJSORFUDY-UHFFFAOYSA-N 449.725 5.339 30 20 IKED C=CCOc1ccccc1CN(C(=O)C[C@@H](C)c1cccnc1)c1ccc2c(c1)OCCO2 523757441 JPHWPOWNIBTMQX-HXUWFJFHSA-N 444.531 5.145 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCOc2c(Cl)cccc21 524439315 RLVIHRCYDYLIEM-HSZRJFAPSA-N 447.922 5.744 30 20 IKED Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 536717524 KRSYPHAMSWSOCJ-INIZCTEOSA-N 429.467 5.681 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@H](C[C@@H]2CCOC2)c2ccccc2)n(C2CCCCC2)c1C 537132394 CPGGWSLVBFVLJK-SQJMNOBHSA-N 448.611 5.178 30 20 IKED N#C[C@H](C(=O)c1coc(-c2ccccc2Cl)n1)c1nc(-c2c(F)cccc2F)cs1 537383647 OFWADZTTXYWGPK-GFCCVEGCSA-N 441.846 5.887 30 20 IKED Cc1cc(NC(=O)NCc2ccccc2-c2ccc(Cl)cc2Cl)nn1CCC#N 537512407 GWQWYHLIBBFKMG-UHFFFAOYSA-N 428.323 5.401 30 20 IKED CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)Nc1ccc(C(C)(C)C#N)cc1 539183958 QZSMSVVPDLKMEW-LIRRHRJNSA-N 430.346 5.148 30 20 IKED Fc1cccc(-c2cnc(CN[C@@H](c3ccc(OC(F)(F)F)cc3)C(F)(F)F)o2)c1 541084074 GMCQBOFIOJPXRB-KRWDZBQOSA-N 434.311 5.773 30 20 IKED N#CCCn1cc(CN2CCC[C@H]2c2ccc(Br)s2)c(-c2ccccc2)n1 542483199 HUJAHRLUDKRVGH-SFHVURJKSA-N 441.398 5.625 30 20 IKED N#CCC[C@H](NC(=O)N1CCC(Oc2cccc(Br)c2)CC1)c1ccccc1 542770289 QQEAVSUGVIQAGM-NRFANRHFSA-N 442.357 5.047 30 20 IKED N#CCC1CCN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CC1 543838246 DDJOCSDHXBRNSK-XDJHFCHBSA-N 446.532 5.287 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)Nc1c(C)noc1C1CC1 547360203 FKJHNRQRROIICA-UHFFFAOYSA-N 436.537 5.451 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@H](c3ccc(F)cc3F)C2)cc1 547991558 YNCFQIWKFNQRBP-QHCPKHFHSA-N 435.430 5.234 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1OCC(C)C 553070875 BPBTYNLWMBDKGK-MSOLQXFVSA-N 441.597 5.864 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@H]2CCCc3sc(Cl)cc32)nnc1-c1ccco1 557818912 RXYIWCRNEGQVLD-AWEZNQCLSA-N 449.001 5.115 30 20 IKED CCSc1ccc([C@H](C)NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 561421411 POJUFWAKHBDQEO-CVEARBPZSA-N 427.595 5.009 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)Nc3ccc(NC[C@H]4CCCO4)c(F)c3)cc2)ccn1 564441134 OATVAOCAICVJPN-OAQYLSRUSA-N 447.470 5.120 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(Br)ccc1OCC 573514408 MGOHYBAGQINSQW-UHFFFAOYSA-N 435.366 5.235 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3cc(C#N)c4ccccc4n3)c12 589045459 POCHVJXBEDMTJT-UHFFFAOYSA-N 426.524 5.290 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1F)c1cnn(-c2ccccc2F)c1C(F)(F)F 590234703 XZLDDBXEPRCRKV-UHFFFAOYSA-N 435.274 5.440 30 20 IKED CC[C@@H](C)n1c(SCc2c(C#N)c(C)nn2-c2ccccc2)nnc1-c1ccccc1 604548117 VZIGQNLXLZEZOA-QGZVFWFLSA-N 428.565 5.574 30 20 IKED N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1 609097768 KRPYAXYJYOPBDZ-HSZRJFAPSA-N 444.922 5.071 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)[C@@H]3CC=CC[C@H]3c3nc4ccccc4s3)CC2)c1 609184835 IGWBYZJITOXQOL-FGZHOGPDSA-N 443.572 5.288 30 20 IKED N#C[C@H](NC(=O)CCOc1ccccc1-c1ccccc1)c1ccccc1Br 609591133 KBGNYBVLRYEBJZ-NRFANRHFSA-N 435.321 5.266 30 20 IKED Cc1cccc([C@H]2CCCCCN2C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)c1 609813298 WFYZYGMIJBCMFH-DENIHFKCSA-N 435.593 5.472 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCCC[C@H]2c2noc(C3CC3)n2)c1 609975270 NALRSIBCRAWHQJ-FQEVSTJZSA-N 448.910 5.632 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 610434191 PERJRUZKHKAZCT-JAXLGGSGSA-N 447.604 5.378 30 20 IKED C[C@H](N[C@H]1CCCc2nc(-c3ccccc3Br)sc21)c1cccc(C#N)c1 610830532 YTGDHABMGRPZBZ-LIRRHRJNSA-N 438.394 6.172 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(c2ccccn2)CC1 611095130 VSZBEOUWCRDNRI-UHFFFAOYSA-N 426.520 5.252 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NCc3ccc(C#N)cc3Br)s2)cc1 612518404 KDQLBFCKCASHIR-ZDUSSCGKSA-N 442.382 5.612 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)c(Cl)c1 612532702 DPXMGLISDVDQTD-CQSZACIVSA-N 428.344 5.846 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3OCc3cscn3)n2)cc1 613318005 DHIZJAQJLWDIRY-IBGZPJMESA-N 431.542 5.644 30 20 IKED COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1c(Cl)cc(C#N)cc1Cl 619728663 CZERBLJWKMHWJC-UHFFFAOYSA-N 437.286 5.669 30 20 IKED N#C[C@@H](C(=O)c1cccc2c1OCCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 620847309 QLHFEBWUTCLMKE-AWEZNQCLSA-N 431.300 5.378 30 20 IKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1cccc(C#Cc2cccs2)c1 622917632 NZWNCYZQQIOJHY-RDGATRHJSA-N 430.573 5.780 30 20 IKED C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 642282087 KEGVBKFJXBTHCA-LYRGGWFBSA-N 443.450 5.400 30 20 IKED O=C(c1cc(Cl)cc(Br)c1F)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 683446628 WGAHVWQYCMTORC-HTQZYQBOSA-N 442.556 5.054 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)ccc2C)[n+]2ccc(CCC)cc2)c1 726573297 WKSFHKUAYRNBAB-UHFFFAOYSA-O 427.593 5.848 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4cccc(C(F)(F)F)c4)CC3)n2)cc1 727632044 NQPXNMWTQLTNJD-SFHVURJKSA-N 442.462 5.746 30 20 IKED N#C[C@H](C(=O)CCCCc1ccc(I)cc1)c1nc2ccccc2o1 727954917 QYHAVYOXATUENZ-MRXNPFEDSA-N 444.272 5.022 30 20 IKED CC(=O)c1cccc(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 728063007 ZPUCVLKGTZCNAI-MRXNPFEDSA-N 447.922 5.432 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccc(O)cc2)Cc2ccco2)cc1 729553800 WDQQEVYTBYUDOZ-AREMUKBSSA-N 437.499 5.875 30 20 IKED N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1nc2cc(Cl)ccc2s1 729891414 ICUKOMQVGOACRZ-MRXNPFEDSA-N 440.912 5.338 30 20 IKED C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 731763434 XKVMXAKNUKEQCL-QFIPXVFZSA-N 449.551 5.180 30 20 IKED Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(C)c1 732380132 OHPKFYBXPVQSED-HXUWFJFHSA-N 442.515 5.654 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 732919747 VJHGRURRVFODLM-GOSISDBHSA-N 449.551 5.353 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cccc(-c3ccccc3OC)c2)ccc1OC 733634960 YYBCJGSCTCPWJH-NRFANRHFSA-N 445.519 5.373 30 20 IKED Cc1cc(-c2csc(=Nc3ccccc3C#N)n2[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c(C)[nH]1 734091719 BZDPIPBRADUJJY-UYAOXDASSA-N 447.608 5.085 30 20 IKED C=CC[C@H](NC(=O)N(CC)Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1ccncc1 734683691 OMNFLNHWCLNWOL-NRFANRHFSA-N 443.469 6.209 30 20 IKED N#CCOc1ccc(Cl)cc1COC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 735341262 ROGVGNZNKBHKJP-UHFFFAOYSA-N 435.911 5.189 30 20 IKED CC(C)c1nn(C)c(Cl)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 741536192 HFKMUIINAJEJSO-KRWDZBQOSA-N 427.335 5.758 30 20 IKED O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1c(Cl)nc2sccn12 741845027 URQAWJMUOFVGOO-GORDUTHDSA-N 434.260 5.767 30 20 IKED Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)COc1cccc(C#N)c1 741969349 ABFKYLYVVPQGIO-UHFFFAOYSA-N 442.494 5.621 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C=C(/C)c1cccc(C(F)(F)F)c1 744029432 SOPNDXDLILCNPI-LFDGNKEFSA-N 428.454 5.581 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(CNC(=O)OC(C)(C)C)o3)n2)cc1 744035666 TVJWWXMIOMUZMF-QGZVFWFLSA-N 437.521 5.226 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)n2)cc1 744061745 NVOIAWSLOJHUAB-IPMKNSEASA-N 443.355 6.105 30 20 IKED O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1N=Cc1sc2ccccc2c1Cl 744703002 YDCDVLQLPQYMKD-UHFFFAOYSA-N 435.848 5.246 30 20 IKED CN(c1ccccc1)c1ccc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)cc1[N+](=O)[O-] 745626850 SNWLKGREYUQVOB-ACCUITESSA-N 443.459 5.215 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 747112071 WBCYYCCWPQKCTQ-OSPHWJPCSA-N 428.536 5.023 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nc(C4CC4)no3)cc2)cc1 751825823 CFWQLADBEQUVRN-BTYIYWSLSA-N 428.492 5.089 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C[C@H](C)c1ccc(F)cc1F 751861150 HZONJWHNBMPGDI-GJZGRUSLSA-N 432.492 5.035 30 20 IKED C=CCC[C@@H](NC(=O)N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)c1ccccc1 752688308 AEPAOSDEOPEWSX-IUPYZPJSSA-N 427.589 5.266 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 759392309 OTOMPHHCUGESKG-SJLPKXTDSA-N 446.601 5.598 30 20 IKED CCCc1cc[n+](/C(C(=S)Nc2cccc(C)c2C)=C(/O)c2ccc(C#N)cc2)cc1 762436692 DUSAANUCGDFYEE-UHFFFAOYSA-O 428.581 5.738 30 20 IKED CCCc1cc[n+](/C(C(=S)Nc2ccccc2CC)=C(/O)c2ccc(C#N)cc2)cc1 762445567 SFSMAKXKGWPYRL-UHFFFAOYSA-O 428.581 5.684 30 20 IKED N#Cc1ccc([C@H](O)CSc2nnc(Nc3ccc(SC(F)F)cc3)s2)cc1 763233798 VONXFBHGTTWUGF-OAHLLOKOSA-N 436.534 5.294 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C[C@@H](O)c3cc(Cl)cc(Cl)c3)cn2)c1 772595012 OBEHMKTVWHDRJF-LJQANCHMSA-N 428.275 5.115 30 20 IKED CC(C)n1ncc2c(C(=O)OC[C@@H](C#N)Cc3cccs3)cc(-c3ccccc3)nc21 772735523 KGIGTRBGUUYVGQ-QGZVFWFLSA-N 430.533 5.280 30 20 IKED C[C@@H](N[C@@H](c1cccc(F)c1)c1cccc(Br)c1)c1ccc(OCC#N)cc1 776165361 ZLWWSCCWPNOBRM-WAIKUNEKSA-N 439.328 5.931 30 20 IKED CCOC(=O)Nc1ccc(NCc2cc(Cl)ccc2OCc2cccnc2)cc1C#N 779603232 OQVSAFNBEGWSST-UHFFFAOYSA-N 436.899 5.366 30 20 IKED CC(C)(C)n1ncc2c(O)nc(NN=Cc3ccc(-c4cccc(C(F)(F)F)c4)o3)nc21 781595198 ZGNDIAIRBYOQED-UHFFFAOYSA-N 444.417 5.012 30 20 IKED C[C@H](OC(=O)c1cccc(COc2ccccc2C#N)c1)c1nnc(-c2ccc(F)cc2)o1 783672093 FGNRMLHNCGLQJE-INIZCTEOSA-N 443.434 5.244 30 20 IKED CCCCN(C)c1ccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 784720891 KLYZVFFGEHRXHD-RUZDIDTESA-N 440.547 5.156 30 20 IKED Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 786766834 UNSCOHSBUDPMDQ-FQEVSTJZSA-N 428.442 5.367 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)C[C@@H](C)c1c[nH]c2ccccc12 787223849 KLWZITMMYRVDMJ-IAGOWNOFSA-N 435.549 5.095 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(C(F)(F)F)cnc1Cl 790793709 HMFZLXFASNNGOG-RNFRBKRXSA-N 442.709 5.393 30 20 IKED Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C/c1ncc(CN(C)C)s1 794709008 WVVIEICLVFHTCQ-CMDGGOBGSA-N 448.411 5.295 30 20 IKED CC(C)Cc1cccc([C@@H](C)C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1 796753929 OVNNDSXIILSULV-DNVCBOLYSA-N 433.577 5.454 30 20 IKED C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(OC(F)F)cc3)C2=O)cc1OC 799202840 FQWRGKDOXMPASL-LDADJPATSA-N 449.500 5.267 30 20 IKED CC(C)C(=O)c1ccc([C@@H](C)C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 802042905 YVWGRNWKUJFVKC-BFUOFWGJSA-N 431.319 5.283 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(OC)c(OC2CCCC2)c1 806195450 DDBTUBGWRNEPBD-UHFFFAOYSA-N 426.561 5.404 30 20 IKED Cc1cccc(C2(NC(=O)C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CCCC2)c1 810420510 IZISVVZNGOTEOG-VWLOTQADSA-N 437.543 5.175 30 20 IKED Cc1c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)sc2ccc(C#N)cc12 816851603 XJFIIXWJEKZNES-QGZVFWFLSA-N 439.581 5.133 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915086239 IIFYAARQGDXQPQ-XMMPIXPASA-N 441.531 5.619 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1 915106317 AUCBXAQDTNIYOC-OAHLLOKOSA-N 426.423 5.268 30 20 IKED O=S(=O)(Nc1cc(N=Cc2c(O)ccc3ccccc23)ccc1F)c1cccs1 915982857 FPIVBPLDEYPIGD-UHFFFAOYSA-N 426.494 5.297 30 20 IKED CCOC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=S)Nc1ccccc1C#N 915995979 NPBAAPNGYHMRAN-UHFFFAOYSA-N 425.510 5.411 30 20 IKED N#C[C@@H](C(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1ccccc1 916622697 HNYDALBASKXHOI-LJQANCHMSA-N 436.968 5.682 30 20 IKED CSc1nc(C)c(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C)n1 916977735 XTDDVTAJDGQUDK-QGZVFWFLSA-N 442.997 5.401 30 20 IKED N#C[C@@H](C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)c1nc2ccccc2n1C(F)F 917041054 OMLHRYAZASMPLJ-CCCPALQASA-N 437.446 6.189 30 20 IKED CCCN(Cc1ccc(C#N)cc1)Cn1[nH]c(-c2cc(Cl)ccc2OC)nc1=S 917458031 PPWGDGNIWSZUEI-UHFFFAOYSA-N 427.961 5.011 30 20 IKED COc1cccc(C[C@@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 918035958 QLXYZPPCFPHEGF-AHWVRZQESA-N 425.532 5.590 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1cccnc1SC(F)(F)F 920282092 YZFHSHFAHNJYPF-UHFFFAOYSA-N 442.356 5.363 30 20 IKED C[C@@H](Sc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920803993 IFRDKEZFBILIEP-BXUZGUMPSA-N 434.920 6.099 30 20 IKED CCOc1ccccc1-c1nn(CN(Cc2ccc(C#N)cc2)CC(F)(F)F)c(=S)o1 921188939 SDVIFUXOJTVLPJ-UHFFFAOYSA-N 448.470 5.165 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccccc3N)cc2)CCC1 1788071405 KOVILPSCPDGINQ-UUFSLDAJSA-N 429.564 5.185 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4ncoc4c3)cc2)CCC1 1789076882 UDUYTTGWAIJHSM-OAQYLSRUSA-N 429.520 5.344 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cccc4cnccc34)cc2)CCC1 1789328046 XLEZAVSQPYYURO-UHFFFAOYSA-N 425.532 5.176 30 20 IKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)Cc4cccc(CCCCC)c4)CC3)C2)C1 1804782635 VDGHECQMYVUWIM-UHFFFAOYSA-N 436.640 5.159 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)ccc2C)[C@H]1c1cccnc1 1813772224 BZLBGCRYXWMTPS-ISKFKSNPSA-N 433.596 5.010 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)[nH]n1 1821920061 CQJJPEHPCSFSJK-KDOFPFPSSA-N 440.544 5.282 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccccc2Cl)CC1 1824141014 PVNKITDREIFUAG-XMMPIXPASA-N 443.031 5.271 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)CC1 1828829337 ZYMVVQMOCNFDRR-ZEQKJWHPSA-N 447.623 5.478 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2ccco2)CC1 1829071265 QWHYEOJKNGBNHW-NZQKXSOJSA-N 428.617 5.070 30 20 IKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831060391 OIHICNKRXISBFO-HSZRJFAPSA-N 430.548 5.395 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccc(CC)cc2)cc1 11127805 DYDCOOJYWGUDMG-UHFFFAOYSA-O 439.604 6.303 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)COc1ccc(Cl)cc1Cl 16013767 AOKZZEUXDSZFGN-UHFFFAOYSA-N 445.096 5.011 30 20 IKED C[C@H](OC(=O)Cc1coc2ccc3ccccc3c12)C(=O)N(CCC#N)c1ccccc1 21689105 CBOGMVGKJHKJIN-SFHVURJKSA-N 426.472 5.007 30 20 IKED C=CCn1c(SCC(=O)c2ccccc2F)nnc1-c1ccc(Br)cc1 21927312 MFFSKTZDDRJJJH-UHFFFAOYSA-N 432.318 5.008 30 20 IKED Cc1cccc(C)c1/N=C1\NC(=O)/C(=C\c2csc(-c3ccc(Cl)cc3)n2)S1 23724253 AGKAOIDEJRZDQZ-LICLKQGHSA-N 425.966 5.972 30 20 IKED CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(C)(C)C#N)cc1 25438012 UKUQKKFTWOMQBD-FQEVSTJZSA-N 446.378 5.578 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 25730665 ZREWCMRIBWRUSP-UHFFFAOYSA-N 425.469 5.330 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3cccs3)no2)nnc1-c1ccc(OC)cc1 26038158 CUHPDHYIAPCHOA-ZDUSSCGKSA-N 425.539 5.105 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(Cl)cc2Cl)cc1 71944536 DDFALSBEBQOQQT-UHFFFAOYSA-N 440.330 5.960 30 20 IKED CCc1c(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cnn1-c1cccc(Cl)c1 107878069 DNYHEKKGVXDYJQ-UHFFFAOYSA-N 448.832 5.153 30 20 IKED N#CCCCSC1=N/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F 206776931 CVDAJZWOVZMZFG-ATVHPVEESA-N 434.323 5.913 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(OC[C@H]2CCCO2)c1 302946848 CVOMPGVMPGEWLC-XMMPIXPASA-N 428.488 5.469 30 20 IKED N#CCCSc1ccccc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 303244116 ADGRPJCXQZIALG-UHFFFAOYSA-N 438.431 5.060 30 20 IKED Cc1nc([C@@H]2CCCOC2)sc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 428162305 RUKQLXBTZVYFLU-LJQANCHMSA-N 433.533 5.049 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCc1cccc(OCC(F)(F)F)c1 432073649 XUKZLYVGVHIZNM-HNNXBMFYSA-N 437.487 5.386 30 20 IKED Cc1c(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cccc1-c1ncco1 432913078 DAXXQJQRDZNQCJ-UHFFFAOYSA-N 437.459 5.418 30 20 IKED N#CCCn1cc(CNCC2(c3cccc(C(F)(F)F)c3)CCC2)c(-c2ccncc2)n1 433338087 FMLKVIJYEYKGTL-UHFFFAOYSA-N 439.485 5.089 30 20 IKED COc1cccc(-c2ccc(CNC(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)c1 438045067 QOYRPHKQBMDDHV-GOSISDBHSA-N 431.561 5.936 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)Nc2cccnc2Oc2cccc(C)c2C)c1 439349388 BKTYACFQFOHQIF-UHFFFAOYSA-N 431.492 5.023 30 20 IKED N#CCC[C@H](NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccccc1 439658893 QIMXYZDZPCNGJK-FQEVSTJZSA-N 425.410 5.668 30 20 IKED Cc1nn(-c2ccc(C(=O)N[C@@H](CCC#N)c3ccccc3)cc2)c(C)c1Br 439673117 MVXAMNCJFUYZJZ-FQEVSTJZSA-N 437.341 5.027 30 20 IKED CCCc1c(NC(=O)Nc2c(F)ccc(OCC)c2F)cnn1-c1cccc(C#N)c1 439683568 IOHPNMOEZMTHJK-UHFFFAOYSA-N 425.439 5.017 30 20 IKED CSc1ccccc1[C@H](C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 440925572 XPKRHWDAHMTNHJ-SFHVURJKSA-N 431.561 5.936 30 20 IKED CC(C)(C)n1cc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)c(-c2ccc(F)cc2F)n1 442621251 UDCNAEKSOBJRFH-OAHLLOKOSA-N 436.487 5.683 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2cncc(-c3cccc(C)c3)c2)c1C#N 445564276 NRRGMRGFOVKDCK-UHFFFAOYSA-N 425.517 5.089 30 20 IKED C=CCn1c(SCc2nc(C(C)(C)C)cs2)nnc1[C@H]1COc2ccccc2O1 445582640 GCPPWXLCWOREPD-MRXNPFEDSA-N 428.583 5.023 30 20 IKED C[C@H](CC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1)NC(=O)C1CCCCC1 460334672 KXXYCQZKSGTGDS-GOSISDBHSA-N 437.971 5.220 30 20 IKED Cc1ccccc1[C@H]1CN(C(=O)c2cccc(COc3ccccc3C#N)c2)[C@@H](C)CO1 460389930 RJJMIHXFJWGPEN-RXFWQSSRSA-N 426.516 5.048 30 20 IKED COc1ccc(-c2n[nH]cc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 461990632 GFZOWBWPMVRUES-UHFFFAOYSA-N 438.487 5.097 30 20 IKED Cc1cc(-c2cc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)c3c(C)noc3n2)c(C)o1 464466953 XQABMOQTECMHKS-MRXNPFEDSA-N 440.381 5.312 30 20 IKED N#C[C@H]1COCCN1C(=O)c1sc2ccccc2c1CSc1ccccc1Cl 465462561 FDAVQFOWGALGBL-AWEZNQCLSA-N 428.966 5.212 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)cc1 467094055 HXGMPQHASIRWPY-LJQANCHMSA-N 430.321 5.758 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)Nc2cc(C#N)cn2C(C)(C)C)nc1-c1ccccc1 467228675 JINLFLDVPXRMMN-FQEVSTJZSA-N 445.567 6.262 30 20 IKED N#CCCCn1cc(C(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c2ccccc21 469668111 ATXAFMNVHZKMSL-GOSISDBHSA-N 432.593 5.300 30 20 IKED C[C@H](C#N)CSc1ccccc1NCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 476362997 GIKSALCUIAVHFL-FOIQADDNSA-N 448.419 6.021 30 20 IKED N#CC[C@H](CC(=O)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1)c1ccccc1 476687870 KPKHZNNUDQLUKF-AEFFLSMTSA-N 439.275 5.646 30 20 IKED N#CC[C@@H](CC(=O)N(Cc1cccc(Br)c1)C1CCOCC1)c1ccccc1 476950349 HRUSCSSQZOULSS-FQEVSTJZSA-N 441.369 5.044 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(CCN2CCCC[C@H]2C)CC1 478804782 JYOBLTDTIHFDGZ-WOJBJXKFSA-N 428.646 5.589 30 20 IKED CCN(C(=O)[C@H](C)Oc1ccccc1C#N)[C@@H](c1cccnc1)c1csc2ccccc12 480975007 XTJTVGUHLLXQES-BVZFJXPGSA-N 441.556 5.573 30 20 IKED C=C(C)[C@@H](NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)c1ccc(F)c(F)c1 481591437 KXZINGJSYJNMEY-GOSISDBHSA-N 443.807 5.020 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCc2cc(Br)ccc2C1 484146029 YHJMEYGSFHYIAK-CQSZACIVSA-N 430.371 5.434 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)cc1 484239684 YUQVWCKGDUECNF-UHFFFAOYSA-N 438.886 5.226 30 20 IKED C=CCSc1ccccc1C(=O)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 485740333 XFCUCAXHMOLHNK-UHFFFAOYSA-N 438.984 5.855 30 20 IKED Cc1ccc(C(=O)N[C@H](CCCC#N)c2ccccc2)cc1NC(=O)c1ccccc1F 487151403 CRXPTFARWFDQQC-HSZRJFAPSA-N 429.495 5.551 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)nnc1-c1cccs1 489394158 OOELUINFVMFQRG-NSHDSACASA-N 445.570 5.061 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1ccc(C#N)cc1Cl 494578342 HHSYGYTZLAVKCA-UHFFFAOYSA-N 448.306 5.879 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)c1sc(-c2ccc(C)cc2)nc1C 495184015 MVWVWWDYZCWJSL-GOSISDBHSA-N 439.581 5.361 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(c2ccccc2)C2CCCCC2)CC1 498087956 MLTSQOVWQJKUTH-UHFFFAOYSA-N 444.535 5.389 30 20 IKED Cc1ccc(-c2csc3ncnc(SCC(=O)N[C@@H](C)c4ccc(C#N)cc4)c23)cc1 498415364 WOLTYQMORUDBQZ-INIZCTEOSA-N 444.585 5.508 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCC(=O)c1ccc(Br)cc1 499528651 JUAGANYPSZWUJB-LEWJYISDSA-N 439.353 5.100 30 20 IKED CCCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H](C)CC(=O)Nc1ccccc1 500689694 VUIWDMOZARTFBP-IBGZPJMESA-N 442.519 5.015 30 20 IKED C[C@H]1Sc2ccc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc2NC1=O 501426087 TZSARLCABCZEJI-MRXNPFEDSA-N 443.528 5.017 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 505832764 MPMRYYNAKDECKN-KRWDZBQOSA-N 427.888 5.096 30 20 IKED CCN(C(=O)NCc1ccc(C#N)cc1)[C@H]1CCSc2ccc(Br)cc21 508181295 PDPZYOAQKNSLKG-SFHVURJKSA-N 430.371 5.089 30 20 IKED CCN(CC)[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1ccco1 508283051 VWFPAQGLKFMLBT-NRFANRHFSA-N 448.523 5.157 30 20 IKED C=CCn1c(SC[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)nnc1-c1ccccc1 508375202 HZEZBXNAVPAWOM-UZLBHIALSA-N 429.973 5.015 30 20 IKED C=CCOc1ccccc1C(=O)Nc1ccc(OC)c(NC(=O)Nc2ccccc2OC)c1 509415510 JHLMCSZMUFCRMJ-UHFFFAOYSA-N 447.491 5.165 30 20 IKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3cc(C#N)ccc3OC(C)C)cc12 509562829 AHGMTWUSQQXYPY-UHFFFAOYSA-N 434.496 5.446 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](c1ccco1)N1CCCCC1 510330098 CRYRJKMKDAYWFU-XMMPIXPASA-N 444.535 5.601 30 20 IKED Fc1ccc(-c2noc(CN[C@@H](c3ccc(OC(F)F)cc3)C(F)(F)F)n2)cc1F 510477881 GJBPOGRYYUXSPD-HNNXBMFYSA-N 435.299 5.009 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c1 513725663 QZZRQLWSQBOZFE-UHFFFAOYSA-N 436.515 5.033 30 20 IKED COc1cc(Cl)c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1OC 513941577 DMMCKTCAADFUKP-UHFFFAOYSA-N 426.831 5.413 30 20 IKED C=CCN(C(=O)C[C@@H]1CCO[C@@H](C(C)C)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514155771 KUJMPXXUVARYPC-OXQOHEQNSA-N 429.542 5.079 30 20 IKED N#Cc1ccsc1NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 515325412 ZBJHHPDRYBDARE-UHFFFAOYSA-N 438.515 5.541 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cnc(-c3ccccc3)s2)cc1 515649230 VREQSGUSUAWDAI-UHFFFAOYSA-N 425.513 5.707 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)N[C@@H](CC(F)(F)F)c1ccccc1 515773347 HIANBGKBDITSDT-ZDUSSCGKSA-N 440.315 5.705 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)cc1 516741349 TYFZFGHRIZOCNR-BJKOFHAPSA-N 439.515 5.132 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1(c2ccc(Cl)cc2)CCOCC1 517529875 GMVMJUXZZZQWJH-INIZCTEOSA-N 429.973 5.562 30 20 IKED COc1ccc([C@H](CNC(=O)Nc2ccccc2S[C@H](C)CC#N)N2CCCC2)cc1 517530140 OGQMDKZDVDJKGH-GCJKJVERSA-N 438.597 5.048 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCCC[C@@H]3c3cc4ccccc4[nH]3)cc2)cc1 518165563 MZQAUGZRBBTCGG-AREMUKBSSA-N 436.515 6.591 30 20 IKED Cc1ccc(C(=O)N[C@H](CC(=O)Nc2ccccc2SCCC#N)c2ccccc2)cc1 518648638 XWAGUWODYUSZGN-HSZRJFAPSA-N 443.572 5.501 30 20 IKED CC(C)COc1ccc(CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 519309059 KPDCHZACFCXZBL-UHFFFAOYSA-N 428.532 5.548 30 20 IKED CC[C@H](CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 520072446 QLKPNPUYIZWKJL-JPYJTQIMSA-N 445.950 5.244 30 20 IKED C=CCn1c(SCc2ccc(OCc3ccncc3)cc2)nnc1-c1ccc(F)cc1 522062465 MLCOYAHLMSVIFI-UHFFFAOYSA-N 432.524 5.537 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)NCc3ccnc(OCc4ccccc4)c3)c2)cc1 522321427 RUFSRHIIJUGXGA-UHFFFAOYSA-N 449.510 5.041 30 20 IKED N#CCCN(Cc1cccnc1)C(=O)CC1(Cc2nc3ccccc3s2)CCCCC1 522788116 ZXTDZKBXDQBGBC-UHFFFAOYSA-N 432.593 5.517 30 20 IKED COc1ccc(Cl)cc1-c1cc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)n[nH]1 524417401 ZEGPOYYUPUKATO-UHFFFAOYSA-N 448.866 5.035 30 20 IKED N#Cc1cccc(CNC(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)c1 524554869 GSRZNKBGOVGPFZ-UHFFFAOYSA-N 439.302 5.439 30 20 IKED COc1ccc([C@@H]2Nc3ccc(Cl)cc3C(=O)N2CC2CC2)cc1OCCCC#N 524887436 VUJTVYNDOLPWJJ-JOCHJYFZSA-N 425.916 5.008 30 20 IKED N#Cc1c(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)sc2c1CCC2 525115184 ICTTUYUZSDZBBL-UHFFFAOYSA-N 431.304 5.250 30 20 IKED COc1ccc(Br)cc1CN(C)C(=O)Nc1ccccc1SC[C@@H](C)C#N 533278674 URYVCZFVOQIZQV-AWEZNQCLSA-N 448.386 5.373 30 20 IKED CCCn1c(-c2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)nc2cc(C#N)ccc21 534629073 JBEZQCJPRHFZCF-UHFFFAOYSA-N 429.549 5.743 30 20 IKED Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 535069477 XULAMPKURODCBU-INIZCTEOSA-N 435.789 5.197 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(COc4ccccc4)cc3)CC2)c1 539136644 FTFFCMRDTNRTMR-UHFFFAOYSA-N 427.504 5.213 30 20 IKED COc1ccccc1Oc1ccc(CNC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 540593312 FIHOBRUJNCGHHE-UHFFFAOYSA-N 427.548 5.113 30 20 IKED CCCc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1cccc(F)c1 541356458 XZWDYSNALHPNDL-MRXNPFEDSA-N 437.425 5.199 30 20 IKED CCN1C(=O)CCc2cc(NC(=O)c3ccccc3Sc3ccccc3C#N)ccc21 545400657 VRPPFKGAQAJKFS-UHFFFAOYSA-N 427.529 5.261 30 20 IKED COc1cc2c(cc1C(=O)[C@H](C#N)c1nc(-c3ccc(Cl)cc3Cl)cs1)OCO2 546861976 YGGRLKXMESGRJC-ZDUSSCGKSA-N 447.299 5.344 30 20 IKED CCN(C(=O)c1ccc(F)c(C#N)c1)[C@H](c1ccc(Br)cc1)c1cccnc1 551206393 CEWGUSKEEJNTTA-OAQYLSRUSA-N 438.300 5.107 30 20 IKED CC1(C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)CCN(c2ccc(Cl)cc2C#N)CC1 553408045 KQFWGUYBOARONX-DOTOQJQBSA-N 441.925 5.303 30 20 IKED Cc1noc(C)c1C(C)(C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 554432564 CEHACWLTMCHLAI-UHFFFAOYSA-N 438.915 5.452 30 20 IKED O=C(c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)N1CCC[C@@](O)(C(F)(F)F)CC1 561252686 JVIBAZCRGDGDSX-IBGZPJMESA-N 449.366 5.431 30 20 IKED N#Cc1cc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)nc2ccccc12 564188150 FJHRVCQYGIXIPJ-UHFFFAOYSA-N 447.420 5.441 30 20 IKED COc1cc(C(=O)Nc2scc(C)c2C#N)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 572387118 LKDFTDOSTOGBCS-UHFFFAOYSA-N 443.868 5.543 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cc(C(F)F)ccc2Cl)CC1 576738800 DSKDIXSDMRDRMP-UHFFFAOYSA-N 446.841 5.252 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CSC2CCOCC2)c1 578813560 WPTDTVLRQNGUSL-UHFFFAOYSA-N 437.609 5.661 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 581520703 KUWJCHGNLWWTRE-JOCHJYFZSA-N 430.335 5.241 30 20 IKED C=CCN(C(=O)c1cnc(C2CC2)s1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 591667078 SPLJYPRAEGCUQN-UHFFFAOYSA-N 436.389 6.284 30 20 IKED COc1ccc(C(=O)C2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)cc1 596386365 MJERBNRZGPYMMM-KRWDZBQOSA-N 437.565 5.216 30 20 IKED CSc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1[N+](=O)[O-] 603825428 PQTBAMMBMUTJHW-AWEZNQCLSA-N 429.910 5.584 30 20 IKED C[C@@H](c1ccccc1)n1c(Sc2ccc([N+](=O)[O-])cc2C#N)nnc1-c1ccccc1 603869722 DSSUHQNLVBXJSX-INIZCTEOSA-N 427.489 5.485 30 20 IKED C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1 603992793 YTDALHXIIVCQFM-LIRRHRJNSA-N 427.529 5.232 30 20 IKED N#Cc1ccc(CS(=O)(=O)N[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)cc1 604042264 LOSBGJAWRIMQMP-NRFANRHFSA-N 431.344 5.074 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cnc(-c4ccccc4Cl)s3)cn2)c1 604517469 RDYWPFVQCOEQHZ-UHFFFAOYSA-N 432.892 5.775 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4nc5cccc(C)c5[nH]4)cc3)o2)c1 605363326 URVRBMGILLCODC-HXUWFJFHSA-N 433.471 5.387 30 20 IKED N#C[C@@H](C(=O)c1cccc(Oc2nccs2)c1)c1nc(-c2ccc(Cl)cc2)cs1 606147099 SYMQWNPYJVKIAY-KRWDZBQOSA-N 437.933 6.202 30 20 IKED CCCN(C(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C)c1cc(Cl)ccc1C#N 609286312 TZFBPPDRMKAWDI-FQEVSTJZSA-N 432.351 5.063 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H](c2nc3ccccc3o2)C1 609385173 WZEBOSYZCFOJGU-MSOLQXFVSA-N 434.565 5.040 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 609401860 CUKAULXUGSOCBH-INIZCTEOSA-N 436.512 5.586 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(COCC(F)(F)F)cc1 609434884 XGSFONYMEIRTIE-OAHLLOKOSA-N 437.487 5.481 30 20 IKED Cc1ccc2c(C3=CCN(C(=O)c4ccc(Oc5ccc(C#N)cn5)cc4)CC3)c[nH]c2c1 609515952 VKQMPDBSZLANCS-UHFFFAOYSA-N 434.499 5.465 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 609646516 DNSMDHGTDYDKNU-LJQANCHMSA-N 435.449 5.253 30 20 IKED Cc1ccc(-n2c(=O)c3ccccc3n3c(S[C@H](C)c4ccc(C#N)cc4)nnc23)cc1 609813651 WZNRTBKATBKPTO-QGZVFWFLSA-N 437.528 5.067 30 20 IKED C[C@@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccc(Br)s1 610290442 DQBJAYHMLADVSX-GFCCVEGCSA-N 428.311 5.312 30 20 IKED N#Cc1cc2c(nc1NC(=O)Cc1csc(-c3ccc(C(F)(F)F)cc3)n1)CCCC2 614298849 LWNBFUUMWGXKCE-UHFFFAOYSA-N 442.466 5.156 30 20 IKED N#C[C@@H](C(=O)c1ccc(Br)c(F)c1)c1nc2cc(C(F)(F)F)ccc2s1 620847338 YRHMNNZDWZVUJV-JTQLQIEISA-N 443.219 5.707 30 20 IKED C=C(CNC(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1)c1ccccc1 672663210 FMJOCRAQZQLNNM-UHFFFAOYSA-N 441.318 5.476 30 20 IKED C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 681494236 OFABEQIYTSLVKQ-NRUUGDAUSA-N 434.327 5.264 30 20 IKED O=C(N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 682204137 KMZHQEAOKBGXRQ-BETUJISGSA-N 449.313 5.107 30 20 IKED O=C(Nc1cc(Cl)c(F)c(Cl)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 683156210 FMFIIQZZVCSDSJ-RNFRBKRXSA-N 427.147 5.727 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@H]1C[C@H](c2cccc(F)c2)C1 684804828 UILQKQUSOICWMV-NQPNPBMCSA-N 426.376 5.280 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cccc3ncccc23)cc1Cl 726519064 BGGPQBTTZMKXQX-HXUWFJFHSA-N 433.920 5.344 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccccc2C)[n+]2ccc3c(c2)CCCC3)c1 726573131 MNTAFMWJACDNQT-UHFFFAOYSA-O 425.577 5.466 30 20 IKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(CCCCC#N)C2=O)cc1 728778920 VUHDQNSAYRAGLR-JOCHJYFZSA-N 448.592 5.266 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3cc(Br)cs3)n2)cc1 730692427 YBPWFEUPGPPANT-MRXNPFEDSA-N 442.363 5.315 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]1c1ccccc1C(F)(F)F 731029923 KBWFVZZHMHXFMS-UZLBHIALSA-N 447.526 5.875 30 20 IKED CC(C)c1ccc(-c2nc(CC(=O)Nc3ccccc3S[C@H](C)CC#N)cs2)cc1 731332348 JMQIUMBRKWUKMI-QGZVFWFLSA-N 435.618 6.509 30 20 IKED Oc1c(Br)cc(Br)cc1/C=N/C[C@H](O)c1ccc2ccccc2c1 731488232 AAOBVVJSKKJZHP-UJPSCDQMSA-N 449.142 5.223 30 20 IKED CCCCCCCCC(=O)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 732163865 OGFCBPPFFYTDQH-IBGZPJMESA-N 448.405 5.837 30 20 IKED C#CCN(Cc1csc(-c2ccoc2)n1)[C@@H]1CCOc2ccc(Br)cc21 733195779 WCIQOONUNXBXCF-GOSISDBHSA-N 429.339 5.125 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)ccc1OC 733640773 NAOOMMKEFHPXCI-BBRMVZONSA-N 436.339 5.243 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)ccc1OC 733652814 GTGKVTGGMBEAON-DNVCBOLYSA-N 449.473 5.298 30 20 IKED C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1cccc(C(F)(F)F)c1 739155516 QVOHYLCHQGWMDA-XHDPSFHLSA-N 426.797 5.339 30 20 IKED Cc1ccc(NCCCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c([N+](=O)[O-])c1 740435942 XOOMCXMHMCZRPC-JOCHJYFZSA-N 443.507 5.182 30 20 IKED C#CCN1CCC(C(=O)Nc2c(C)cccc2-c2nc3cc(F)ccc3n2C(C)C)CC1 741970391 ZTMSEJRRWLZSJU-UHFFFAOYSA-N 432.543 5.015 30 20 IKED O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1C=NNc1cccc(F)c1F 743442826 IIKNLLOBXJSFQK-UHFFFAOYSA-N 442.425 5.370 30 20 IKED O=C(/C=C\c1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1cccc(N2CCOC2=O)c1 745627190 ZJQNEMXFFWWTSY-NTMALXAHSA-N 427.378 5.818 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(CCC)Cc2ccc(F)cc2)c1=S 746033496 AOCNYYSZEDHLGJ-UHFFFAOYSA-N 426.561 5.284 30 20 IKED CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 746719750 WVUQHSJWRBHMHO-HSZRJFAPSA-N 448.567 5.205 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)c1 747111552 BRXLMUBMKVFYBX-QGZVFWFLSA-N 444.343 5.315 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccccc2)o1 748912533 PBHKCHAVWXXHQC-INIZCTEOSA-N 436.489 5.262 30 20 IKED CC[C@H](C)n1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1ccccc1 749753201 YIKYFUCXIJSVHJ-PMACEKPBSA-N 447.608 5.652 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(CCCO)[C@H]2CCc3ccccc32)cc1 754437434 RCBRKIKCHNGTFJ-UIOOFZCWSA-N 425.532 5.246 30 20 IKED Cc1cccc(CN(Cc2ccccn2)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 754437801 SKPDYJDGXGOSDB-MUUNZHRXSA-N 446.554 6.280 30 20 IKED FC(F)(F)c1ccccc1ON=Cc1csc(-c2cccc(Br)c2)n1 754723774 JSLQMOFWBFNCHZ-UHFFFAOYSA-N 427.245 6.004 30 20 IKED Sc1nnc(-c2ccccc2Br)n1N=Cc1nc(-c2ccccc2)cs1 755567017 RJOLAKQXHOVKLE-UHFFFAOYSA-N 442.367 5.002 30 20 IKED Cc1cc(Sc2ccccc2)ccc1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 761842670 PWXJNYHSDHRRNX-DEOSSOPVSA-N 429.545 5.623 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)Nc3ccc4cc(Br)ccc4c3)CCO2)c1 761873706 KWJGIFDFXCMEFD-OAQYLSRUSA-N 436.309 5.079 30 20 IKED N#Cc1ccsc1NC(=O)COC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 763074238 MGNQENXDTMRQQS-UHFFFAOYSA-N 447.491 5.022 30 20 IKED O=S(=O)(Nc1ccccc1)c1ccc(NN=CC2CCC(C(F)(F)F)CC2)cc1 767377664 LQDRHRVXUZAQGD-UHFFFAOYSA-N 425.476 5.254 30 20 IKED N#Cc1ccc(Oc2ccc(OC(=O)c3cccc(COC4CCOCC4)c3)cc2)cc1 768177314 UBBMZTRUDSRAAJ-UHFFFAOYSA-N 429.472 5.265 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cc(Cl)cc(C(F)(F)F)c1 778605547 RMOHUWBAODBIQD-ZDUSSCGKSA-N 445.224 5.290 30 20 IKED N#C[C@@H](C(=O)CCCCC(=O)c1ccc(F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 778607601 NUHXIJQXJGYUJS-INIZCTEOSA-N 448.441 6.074 30 20 IKED COc1ccc(/C=C\C(=O)c2cc3c(s2)SCC(=O)N3)cc1OCc1ccccc1 779463217 ZFJPHOWPBZMTQE-CLFYSBASSA-N 437.542 5.276 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 780680499 FGXPIDCUEDHDGI-DLBZAZTESA-N 446.482 5.252 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccccc1C(=O)c1ccccc1 783417987 ABJBMEKKUJSNSJ-UHFFFAOYSA-N 440.286 5.245 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@H]3CCCc4cc(SC(F)F)ccc43)ccc21 786960803 WFOSUBSJAXUKPS-NRFANRHFSA-N 441.547 6.074 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(Cc2ccccc2)c1Cl 795540409 BXLMUCPOBZKKJS-UHFFFAOYSA-N 442.906 5.810 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCCC[C@H]3c3nnc(C4CCC4)o3)c2)s1 812052831 JHZLOAIXDWTRIU-FQEVSTJZSA-N 447.564 5.374 30 20 IKED Cc1nc(Br)sc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 813398500 ZVKHJVIVNILMKJ-OAHLLOKOSA-N 446.757 5.775 30 20 IKED C[C@@H](NCc1cn(CCC#N)nc1-c1ccccc1)c1ccc(C(F)(F)F)nc1Cl 820845869 AMBKEASXLRRYQD-CQSZACIVSA-N 433.865 5.382 30 20 IKED C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(C(F)(F)F)nc1Cl 821215552 WGRKZJOEBDABDU-HNNXBMFYSA-N 445.872 6.055 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 915352009 IDWLDPRNOABBDO-HHHXNRCGSA-N 438.575 5.650 30 20 IKED CCCCCCOc1ccc(C=Nn2cnc3sc4c(c3c2=O)CCCC4)cc1OC 916288488 GVFRPGXSSVBQCF-UHFFFAOYSA-N 439.581 5.187 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(NC(=O)c2cccs2)cc1 916903717 RDTVGWHTQAOEHG-FQEVSTJZSA-N 445.544 5.086 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 916907861 NODJGAVMADAGGM-FQEVSTJZSA-N 449.938 5.400 30 20 IKED N#C[C@@H](C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)c1nc2ccccc2n1C(F)F 917041056 OMLHRYAZASMPLJ-KAMXEHQASA-N 437.446 6.189 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cnn(-c3ccccc3)c2C)cs1 917560516 PKKAUSNWIBHPHC-JLHYYAGUSA-N 446.507 5.357 30 20 IKED Cc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2csc3ccccc23)c1 917668872 JFROSQKUCJGDKE-NRFANRHFSA-N 449.601 5.010 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(C2CC2)[C@H]2CCc3ccccc32)c1=S 919943697 QTCLOKFVSXSRHS-QFIPXVFZSA-N 432.593 5.385 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cccc(NC(=O)C2CCCCC2)c1 920105343 CAYKXLYCCCMBFG-OAQYLSRUSA-N 427.504 5.201 30 20 IKED CNC(=O)C[C@H]1SC(=Nc2cccc(C(C)C)c2)N([C@H](C)c2ccc(C)s2)C1=O 920168889 PCGSGCJNAIXSSL-DNVCBOLYSA-N 429.611 5.009 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccnc1SC(F)(F)F 920279889 RDSOLADMCWAPFC-UHFFFAOYSA-N 429.423 5.918 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cnc(C(C)(C)C)s1 920363186 UQDZGMFENHHYMJ-UHFFFAOYSA-N 442.997 5.723 30 20 IKED CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1N=Cc1cc([N+](=O)[O-])ccc1O 920943101 PRVLAMHLBQMTAN-UHFFFAOYSA-N 449.463 5.101 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cccc(C)n3)cc2)CCC1 1785826756 OJWQUWLGTPSDOH-RFAWQRTRSA-N 429.564 5.306 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccsc4)cc3)CCC2)c1 1788186147 DXWSKDXXNOLVEA-UHFFFAOYSA-N 429.545 5.000 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5occc5c4)cc3)CCC2)c1 1789049237 GEDZZUGNOXJYLA-UHFFFAOYSA-N 435.483 5.366 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CSc3ccncc3)CCC2)cc1 1789624256 PVKXNBTXXLPUNS-UHFFFAOYSA-N 437.609 5.300 30 20 IKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3c4ccccc4n4ccsc34)cc2)CCC1 1790002154 ZHJYDCJYZIHTEO-HNNXBMFYSA-N 449.601 5.220 30 20 IKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccc(F)c2s1 1797444983 BHZHUOBJNSTZJQ-REPLKXPHSA-N 426.557 5.061 30 20 IKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2)n2ccccc12 1799098813 SPJKZNJWHSUAFD-SNJCGAMXSA-N 441.575 5.070 30 20 IKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)[C@@H]1c1cccnc1 1803091213 YTSOEEQCCQMWTO-NBUHOVDFSA-N 437.628 5.072 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C)cc(C)cc2C)[C@@H]1c1cccnc1 1810177859 IGEJIGJWWWXNKC-BFLUCZKCSA-N 445.607 5.095 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccnc3ccccc23)[nH]n1 1819305072 CBPGTVJAFMOHMT-FDDCHVKYSA-N 443.551 5.032 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3ccoc3c2)n[nH]1 1821457590 RTLUWXKQRIQVSB-HXUWFJFHSA-N 434.540 5.454 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)c2ccc(O)cc2)CC1 1830333525 RKGGTMBZMHFNLH-GBXCKJPGSA-N 440.628 5.108 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccccc2F)CC1 1832390313 DYKDUOZQQKDBKK-RUZDIDTESA-N 440.603 5.146 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 1845374351 MFUUEMWEGCEPGC-UHFFFAOYSA-N 442.909 5.168 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2cccc(Cl)c2)cc1 10830579 QNXISSMNNZUNDO-UHFFFAOYSA-O 438.016 6.166 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ccccc2F)n1)c1nc(-c2c(F)cccc2F)cs1 64715497 FERTXLQBDAJROP-LBPRGKRZSA-N 441.459 5.841 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2sc(-c3cccc(Cl)c3)nc2C)cc1 111020789 RANPFBVDYVXLMW-UHFFFAOYSA-N 425.941 5.731 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCCCN3C(=O)c3cccs3)cc2)c1 303294548 BRMFARBQEVOVSP-OAQYLSRUSA-N 431.517 5.045 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(NC(=O)C2CC2)cc1 303296927 CDNZCEUVXNCXLF-KRWDZBQOSA-N 440.503 5.582 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)cc1 303411165 ADWHZHAYSUZUGC-LEWJYISDSA-N 428.454 5.262 30 20 IKED CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 303895844 PHKHQXOOWYFDDJ-UHFFFAOYSA-N 433.895 5.851 30 20 IKED CC(C)(CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1cccc(C(F)(F)F)c1 428705337 BFIJYEKWZXPJQH-UHFFFAOYSA-N 440.469 5.190 30 20 IKED Cc1nc(CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)oc1-c1ccc(Cl)cc1 429814298 LNLZDBDFRPRWRX-UHFFFAOYSA-N 445.910 5.011 30 20 IKED N#CCSc1cccc(C(=O)Nc2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)c1 429856445 BKHPRRRZINDYGQ-UHFFFAOYSA-N 444.343 5.071 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 436361892 NWMZONIHHYGQEO-LEWJYISDSA-N 447.535 5.360 30 20 IKED Cc1csc(C2(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CCCC2)n1 437842565 QWVTUPMORMFOQZ-UHFFFAOYSA-N 432.549 6.015 30 20 IKED COc1cccc(-c2nnc(SCc3ccc(C#N)cc3Cl)n2Cc2ccco2)c1 438885414 JYJBGDZHDWYVDH-UHFFFAOYSA-N 436.924 5.412 30 20 IKED CCCc1c(NC(=O)Nc2ccc(-c3nccc(C)n3)cc2)cnn1-c1cccc(C#N)c1 439325510 JXQIAFBGXMQCNV-UHFFFAOYSA-N 437.507 5.106 30 20 IKED N#CCC[C@@H](NC(=O)Cc1csc(-c2cccc(Br)c2)n1)c1ccccc1 439669249 DATKCBYAAGFPSY-LJQANCHMSA-N 440.366 5.276 30 20 IKED CCCc1c(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)F)cnn1-c1cccc(C#N)c1 440101286 SZPDERQBLSCPPN-MOPGFXCFSA-N 436.462 5.040 30 20 IKED N#CCSc1ccccc1NC(=O)COc1c(Cl)ccc(Cl)c1Br 443402320 XRMUKKKLJRPPED-UHFFFAOYSA-N 446.153 5.389 30 20 IKED C=C(C)Cn1c(SCc2cncc(OCc3ccccc3)c2)nnc1-c1ccncc1 447115815 HPPQZYGSROMBFK-UHFFFAOYSA-N 429.549 5.183 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCc3cncc4ccccc34)cc2F)c1 462496898 WVPPCJQSQWPUQA-UHFFFAOYSA-N 425.463 5.396 30 20 IKED Cc1ccc([C@H](Nc2cc(C#N)c3ccccc3n2)c2cccc(S(C)(=O)=O)c2)cc1 462931679 HPIKLPJKEOHVGM-VWLOTQADSA-N 427.529 5.020 30 20 IKED C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 463726898 HVVBJGLNIWLVTM-WOJBJXKFSA-N 447.560 5.168 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H]2CCCO[C@H]2c2ccc(C)cc2)cc1 466952492 GCKAZINWFAWHBQ-ZCYQVOJMSA-N 447.579 5.099 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1cccc(OC(C)(C)C)n1 467824397 KWPQPEAWAHRCAF-UHFFFAOYSA-N 430.508 5.198 30 20 IKED CN(c1ccccc1)c1ccccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470845533 RIXWCUZLNTYHTB-UHFFFAOYSA-N 438.531 5.290 30 20 IKED Cc1c(C#N)c(NC(=O)CCN[C@@H](c2ccccc2)C2CCC2)n(Cc2ccco2)c1C 472247758 SVGQOOZCMCBVFS-VWLOTQADSA-N 430.552 5.078 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(COc2ccccc2)c1C 472836251 UDBXYDPGABMXMT-UHFFFAOYSA-N 429.520 5.126 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 472937461 GXUUOCWXDMLGRN-JTHBVZDNSA-N 430.483 5.103 30 20 IKED Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 474441917 RTWFKIQUKIUZOT-INIZCTEOSA-N 443.370 5.322 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc3nc(-c4ccccc4)oc3c2)c1C 476092648 UMZWCDPFJLUBJK-UHFFFAOYSA-N 433.471 5.421 30 20 IKED CC(C)N(Cc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1)C[C@@H]1CCCCO1 476557744 CRWNFAPLHLSQSH-AHWVRZQESA-N 433.596 5.492 30 20 IKED N#CC[C@@H](CC(=O)N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)c1ccccc1 476617299 DFLZCEXDSPKXCY-MAUKXSAKSA-N 430.348 5.392 30 20 IKED C=CCn1c(SCC(=O)Nc2c(C)cccc2C(C)C)nnc1-c1cccc(Cl)c1 481346187 NQEYDFDAHWWFCW-UHFFFAOYSA-N 441.000 5.947 30 20 IKED CC(C)CCOC1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 481619524 AOIACCOBWNVQLI-UHFFFAOYSA-N 439.531 5.335 30 20 IKED O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)N(CCC(F)(F)F)CC1CC1 482348913 RQMJEZVOKVZTBC-ZDUSSCGKSA-N 436.318 5.683 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cc(Cl)ccc2NC2CC2)nnc1-c1ccco1 482509138 MNRXROFBZPOCRJ-UHFFFAOYSA-N 443.960 5.073 30 20 IKED Cc1cc(CN(CC(C)C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)nc(N2CCCCC2)n1 482929346 IWGQSVVBTNOOSY-UHFFFAOYSA-N 448.615 5.267 30 20 IKED CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 484652651 JATLGRDQTVXAHD-UHFFFAOYSA-N 436.515 5.445 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccnc(SCC(F)(F)F)c1 495883487 MEEKRLCBDZUIPA-UHFFFAOYSA-N 444.438 5.356 30 20 IKED COc1cccc(C[C@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 497493792 VEJZTKNDOJMUNH-IBGZPJMESA-N 429.520 5.093 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)cc1C 498545241 XDVRLJWZBMFFQJ-FQEVSTJZSA-N 430.552 5.359 30 20 IKED COc1ccc(-c2cc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)sc2C)cc1 499396373 SAPPGKUSLSBHJR-LJQANCHMSA-N 441.350 5.489 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 502136109 HTEATCPVGZVBNT-GOSISDBHSA-N 425.463 5.525 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 503461165 MFBBFFJAPLPKTR-UHFFFAOYSA-N 425.533 5.092 30 20 IKED O=C([C@H]1CCCC(F)(F)C1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 506010231 VCRDHEGVYRDORN-NHYWBVRUSA-N 445.350 5.450 30 20 IKED N#Cc1cc(NC(=O)N[C@H]2CCCc3cn(C4CCCC4)nc32)ccc1OCC(F)(F)F 506404918 GTDLQQAZFTYOSQ-SFHVURJKSA-N 447.461 5.010 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(C)cc3)o2)cc1 508161414 UGHJKZNXNQQZFM-UHFFFAOYSA-N 429.520 5.036 30 20 IKED C=CCn1c(N2CCC(c3nc(-c4ccccc4OC)cs3)CC2)nnc1C(C)(C)C 508713267 HZDBWIVLGARKHO-UHFFFAOYSA-N 437.613 5.278 30 20 IKED C=CCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 508802603 RWSIIKXFZLNAAA-SFHVURJKSA-N 435.380 5.001 30 20 IKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)c2C#N)C1 508880116 KYLIIVRTYCIQLR-GIFBTTEWSA-N 426.626 5.431 30 20 IKED CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1 512323367 NGHWXRMDSUBMMG-UHFFFAOYSA-N 447.922 5.181 30 20 IKED CC(C)(CCC#N)CNC(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 513113538 OZWXGJZYJBIIDM-QHCPKHFHSA-N 439.003 5.087 30 20 IKED Cc1ccccc1CN(Cc1ccccn1)C(=O)c1cccc(COc2ccccc2C#N)c1 514246712 PGAXSLAZMDZKDB-UHFFFAOYSA-N 447.538 5.683 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(Cl)c2c(c1)OCCCO2 515282501 GDGZSIMDAUHDKZ-UHFFFAOYSA-N 435.867 5.121 30 20 IKED Cc1nn(-c2ccccc2)c2sc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc12 515543815 XIARSFHZWJTMJG-IBGZPJMESA-N 440.553 6.009 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccccc2)[nH]n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 515615118 QAYKBEJADOJJBZ-HNNXBMFYSA-N 439.327 5.997 30 20 IKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 515893133 QORKLZYZVWBTJZ-LADGPHEKSA-N 445.950 5.447 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)CCCCC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 517174089 PCBATNLXXXJJMJ-UHFFFAOYSA-N 430.552 5.427 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)NC3CCC(Oc4ccccc4C#N)CC3)s2)cc1 518923248 NIMXMVYVORFXHI-UHFFFAOYSA-N 447.560 5.119 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(OCc2ccccc2)cc1 520858073 LIDGUCWFVQLRRQ-IBGZPJMESA-N 431.561 5.839 30 20 IKED Cc1ccc(OCCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c(Br)c1 521727589 XMCMUAJTHZHCQL-HNNXBMFYSA-N 433.371 5.417 30 20 IKED C=CCOc1c(Br)cc(CNC2CCN(c3ccccc3)CC2)cc1OCC 521813401 MFGVLMQUGQIZNF-UHFFFAOYSA-N 445.401 5.171 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N(Cc3ccccn3)c3ccc(Cl)cc3)o2)cc1 524382791 WIUQCOCGLBTSKG-UHFFFAOYSA-N 443.890 5.626 30 20 IKED CC(C)C[C@H]1CCCCCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 524623538 FTQDLWUQSVOKMW-GOSISDBHSA-N 429.615 5.525 30 20 IKED CCc1nc(C)c([C@@H](C)N(C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)s1 525120924 DIGLZYMWZNDONW-OAHLLOKOSA-N 430.643 5.238 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@](C)(C#N)CC(C)C)c(OC)c1 533875370 HFFUSPNMZYTCDT-SANMLTNESA-N 433.552 5.229 30 20 IKED Cc1ccc2oc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2n1 535406912 QCTOZMFNPZQUHM-ZDUSSCGKSA-N 428.300 6.057 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 539509604 HJCBUJHVOBUEJZ-UONOGXRCSA-N 426.383 6.165 30 20 IKED COc1ccc(C#N)cc1CN[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C 541645693 LSTIZQDUPHQCAD-ZDUSSCGKSA-N 442.382 5.612 30 20 IKED Cc1sc([C@@H](C)NCC(=O)Nc2cc(Cl)ccc2C#N)nc1-c1ccc(Cl)cc1 541645742 VPFIMXGLGJPKLN-GFCCVEGCSA-N 445.375 5.586 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 544524948 UFCNYGKGEPGYRY-AGHHOFFYSA-N 441.572 5.011 30 20 IKED COc1ccc(-c2nsc(NC(=O)c3ccccc3Sc3ccccc3C#N)n2)cc1 551725563 WBHTUDVFTDEANA-UHFFFAOYSA-N 444.541 5.489 30 20 IKED CCCCOc1ccc(-c2nnc(Cn3cc(C#N)c(=O)c4cc(C)cc(Cl)c43)o2)cc1 554871334 SULOKXOJINNRLH-UHFFFAOYSA-N 448.910 5.112 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CC[C@H](c2ccccc2OC)C1 555260545 IWESNCPFPWSHRE-FQEVSTJZSA-N 425.536 5.072 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)CC2)c(F)c1 557122152 SMGKLKOMDHDFSM-RBUKOAKNSA-N 433.310 5.178 30 20 IKED CCSc1cccc(Br)c1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 561403175 LUWWYQFFDNVRID-WMZOPIPTSA-N 444.398 5.865 30 20 IKED N#Cc1ccc(C[C@H](C#N)c2nc(-c3ccc(Oc4ccccc4F)c(F)c3)no2)cc1 563773553 FARJNHKFFARXIL-GOSISDBHSA-N 428.398 5.529 30 20 IKED CC(C)(C(=O)Nc1cccc(OCCCC#N)c1)c1csc(-c2cc(F)ccc2F)n1 570765137 ULRFQTNQOJEEGB-UHFFFAOYSA-N 441.503 5.687 30 20 IKED Cc1c(C(=O)N2CCC3(CCN(Cc4ccccc4)CC3)C2)sc2ccc(C#N)cc12 578748529 JJKSRMIXDQYQKK-UHFFFAOYSA-N 429.589 5.210 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cncc(Cl)c1Br 579759769 MRFHAYSQCWKHBG-UHFFFAOYSA-N 444.741 5.773 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 580268774 WRESEIQZTYISRN-FQEVSTJZSA-N 434.519 5.403 30 20 IKED C=CCCO[C@H](C)C(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 588625628 GYRCIGUBYSQCBA-MRXNPFEDSA-N 426.900 5.494 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2 603521263 FDZAQFTWTXMXHD-HKWRFOASSA-N 435.552 5.927 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OCc4cccnc4)cc3)n2)cc1 603627374 ARINHJSCHVNGBA-QFIPXVFZSA-N 436.496 5.146 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NCCSCc1ccccc1C#N 603682818 CPOOJGNGFVIXHV-UHFFFAOYSA-N 444.560 5.174 30 20 IKED CC(=O)N[C@@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 603758734 DARUIAKXUDUMTG-UPVQGACJSA-N 431.923 5.201 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cc(-c3ccccc3)no2)cc1 603890239 VSRNPBCSFDPRGQ-UHFFFAOYSA-N 425.513 5.436 30 20 IKED CSCc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)oc2ccccc12 604004046 QNZCJPQBBMJUTF-UHFFFAOYSA-N 442.540 6.193 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3sccc3Br)cc2Cl)cc1 604027109 GCXBHTUTKVFMJA-UHFFFAOYSA-N 433.714 6.080 30 20 IKED N#Cc1cnc2ccc(OC(F)F)cc2c1N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604303656 AWLVQMOKZVJUFV-PHIMTYICSA-N 439.306 5.275 30 20 IKED N#C[C@H](C(=O)c1cccc(Oc2nccs2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 606147131 ULILQQZNNNPELD-OAHLLOKOSA-N 448.529 5.015 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl 607184883 DLBZBJYVAOIGOM-FPFACLPRSA-N 446.794 5.544 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C 608920188 CGVQYGVXYGCXMK-RUZDIDTESA-N 437.547 5.155 30 20 IKED C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(OCC(F)(F)F)cc1 609058700 LVZXFNOMUJUVDI-HNNXBMFYSA-N 444.409 5.162 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]3c3cccnc3)cc2Cl)c1 609079896 KPVHJEHHFUJFNN-JOCHJYFZSA-N 432.911 5.555 30 20 IKED Cc1c(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)oc2ccc(Br)cc12 609184931 GHGLGNAEKAIQAE-UHFFFAOYSA-N 439.309 5.059 30 20 IKED N#C[C@H](C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1nc2cc(F)ccc2s1 609321547 GCEFEESPDRGENO-QGZVFWFLSA-N 446.463 5.446 30 20 IKED CCN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@@H](C)Cc1ccc(OC)cc1 609432809 FKEMJLYVQJWVPS-KRWDZBQOSA-N 434.565 5.099 30 20 IKED Cc1nnc(SCc2c(C(=O)N(CCC#N)CC(C)(C)C)oc3ccccc23)s1 609816213 TWMUARDEPVZNIF-UHFFFAOYSA-N 428.583 5.287 30 20 IKED C[C@@H](NCc1nnnn1-c1ccc(C(F)(F)F)cc1)c1ccc(-c2cccc(C#N)c2)cc1 611807148 METSLOKWFJJTPM-MRXNPFEDSA-N 448.452 5.071 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 642282316 CPWJBDSVJMOYPA-AWEZNQCLSA-N 426.423 5.493 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1NC(=O)c1ccco1 642282366 IJWZPAYPAVEDSV-HNNXBMFYSA-N 434.402 5.075 30 20 IKED N#C[C@@H](C(=O)c1ccc(CN2CCCC2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 672581916 UCVFRRAFMYZLSL-KRWDZBQOSA-N 429.467 5.401 30 20 IKED C=C(C)[C@@H](CC(=O)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1)OCC 677304907 FNDXYKAKMSPSDP-DNQXCXABSA-N 441.616 5.073 30 20 IKED CC(C)(CNC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)c1cccc(Cl)c1F 681095236 PAVQMWIYPPAVHP-GHMZBOCLSA-N 434.783 5.139 30 20 IKED C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1Cl 727490812 YXEAURNKFDTOIY-UNOMPAQXSA-N 429.950 5.513 30 20 IKED CCOc1cc(/C=C2/CCOc3ccccc3C2=O)ccc1OCC(=O)Nc1ccccc1 728441683 OLYWLSBMCDDTNN-SILNSSARSA-N 443.499 5.152 30 20 IKED Cc1csc(SCc2ccccc2C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)n1 730422265 VCCJTMDVXRRFEB-MRXNPFEDSA-N 439.562 5.983 30 20 IKED Cc1cccc(N(CCC#N)C(=O)COC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)c1C 731268165 KJANJPATDYWFPQ-BJKOFHAPSA-N 426.516 5.050 30 20 IKED C[C@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C[C@@H](C)N1C(=O)OC(C)(C)C 733620607 AXKNJOLURVKRRQ-YYDVJCTNSA-N 448.567 5.204 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N[C@H](c3ccccc3)C3CCOCC3)c2)cc1 734649255 ANUZWNPZGPALJM-RUZDIDTESA-N 427.504 5.640 30 20 IKED CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 736956840 YSHPKAHQMSGRBC-VWMXVWASSA-N 433.939 5.893 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C)c(C)c2)[n+]2cc(O)cc(Cl)c2)c1 738006608 IUXFVJNHSGYQRL-UHFFFAOYSA-O 435.956 5.255 30 20 IKED C=CCn1c(-c2ccccc2F)nn(CN2CCS[C@@H](c3ccccc3)C2)c1=S 738243497 AVVOPHPPHZRXSZ-HXUWFJFHSA-N 426.586 5.154 30 20 IKED Cc1ccccc1OCc1nn(CN(CC#N)C2CCCC2)c(=S)n1-c1ccccc1 738257240 WYQOORIDPNUPAM-UHFFFAOYSA-N 433.581 5.016 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 739156581 ZGPANULYJGMXTR-LJQANCHMSA-N 448.404 5.005 30 20 IKED C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 739156613 ZYSQGKNVPIAYPN-NHYWBVRUSA-N 443.252 5.538 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3nc(-c4ccccc4F)oc3C)n2)cc1 739158743 FLDXUNGKGXDSDW-QGZVFWFLSA-N 433.464 5.411 30 20 IKED CCOc1cc(/C=C\C(=O)c2cccc(-c3ccncc3)c2)cc(Br)c1OC 741472026 DKCONIBAFGMKDY-FPLPWBNLSA-N 438.321 5.815 30 20 IKED C=C1c2ccccc2C(=O)N1CCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 741969853 OERCQGVGGPWWPX-UHFFFAOYSA-N 441.918 5.262 30 20 IKED N#Cc1ccccc1N1CCC(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1 742192522 ZFYQIASCRFMATL-UHFFFAOYSA-N 448.526 5.279 30 20 IKED N#Cc1cc(COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(O)cc2)CC3)ccn1 746945415 PQCGBQXKCUQJLU-CPNJWEJPSA-N 433.467 5.051 30 20 IKED COc1ccc(/C=C2/CCOc3ccc(Br)cc3C2=O)cc1OCCCC#N 747361212 HKKHPJXCWGIMSR-VBKFSLOCSA-N 442.309 5.189 30 20 IKED CCCOc1c(Cl)cc(C=NO[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1OCC 748098220 YDKISLWUBVOEEK-INIZCTEOSA-N 443.931 5.998 30 20 IKED CC(=O)C1=C(c2ccc(C)cc2)N(Cc2cccs2)C(=O)N[C@H]1c1ccc(C#N)s1 749015225 SALWVEWJHIUHIW-NRFANRHFSA-N 433.558 5.257 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CC=C(c3ccc(Cl)cc3)CC2)ccc1OC 752966985 RFTCEPWRGFYKOJ-OAQYLSRUSA-N 439.943 5.028 30 20 IKED C=CCn1c(SCc2ccc(SC(=O)N(C)C)cc2)nnc1-c1ccccc1OC 753063443 YWVAPOFHUYOJEN-UHFFFAOYSA-N 440.594 5.206 30 20 IKED CN1C(=O)CCc2cc(C(=O)/C=C\c3nc(-c4cc(Cl)ccc4Cl)cs3)ccc21 754689498 HPKOPOMECUTITB-FPLPWBNLSA-N 443.355 5.922 30 20 IKED CC(=O)N1CCc2sc(-c3csc(=Nc4ccccc4)n3CCCCC#N)cc2C1 754791476 HEDZMPRAXITRCE-UHFFFAOYSA-N 436.606 5.109 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H](C)Cc1cccc(Cl)c1 756351955 XAWJODROIRCYCQ-HOTGVXAUSA-N 430.957 5.095 30 20 IKED N#CCOc1cccc(CC(=O)N(Cc2cccs2)c2ccc(Br)cc2)c1 760391499 DVNUPVCYUVGFEF-UHFFFAOYSA-N 441.350 5.189 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(CC[C@@H](O)c2ccccc2)c1 762996646 PSJWUQSCVGTTGS-HSZRJFAPSA-N 425.488 5.169 30 20 IKED N#Cc1cc(NC(=O)c2oc3ccccc3c2COc2ccccc2)c(Cl)c([N+](=O)[O-])c1 764315899 RDODUMBHRXOFIR-UHFFFAOYSA-N 447.834 5.697 30 20 IKED C=CCn1c(-c2ccc(C)cc2)nn(CN(C)Cc2csc([C@H](C)OCC)n2)c1=S 765034389 AKYOELMPHOWQEK-KRWDZBQOSA-N 443.642 5.219 30 20 IKED N#C[C@H](NC(=O)c1ccc(Cl)nc1C(F)(F)F)c1ccc(OCc2ccccc2)cc1 766857483 JVCGTHRFRUSCTG-SFHVURJKSA-N 445.828 5.327 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCC(OCc4ccc(F)cc4)CC3)c2)s1 768732329 RRRCCQWSDUDLQK-UHFFFAOYSA-N 449.551 5.317 30 20 IKED CC1(c2cccc(Br)c2)CCN(C(=O)Nc2ccc(F)cc2OCC#N)CC1 768902074 GIZWQNDMVKRZHU-UHFFFAOYSA-N 446.320 5.076 30 20 IKED COc1ccc(CN2CCC[C@@H]2c2c(C)nn(CC(C)C)c2Cl)cc1OCCCC#N 770334810 IFRHGYIQCUSAAL-HXUWFJFHSA-N 445.007 5.529 30 20 IKED Cn1ccnc1C(=O)[C@H](C#N)C(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1 770870880 FYVMDPWRMAOLND-MRXNPFEDSA-N 444.343 5.225 30 20 IKED Cc1cc(C(=O)N[C@@H](C#N)c2ccccc2Br)ccc1NC(=O)OC(C)(C)C 772698016 SKBDFFPYXXEKKP-SFHVURJKSA-N 444.329 5.099 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)cc1C#N 777995639 RBNGUYIVLGYRSW-UHFFFAOYSA-N 442.447 5.089 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3ccccc3O[C@H](C)C#N)cc12 780151728 OAITXKKHRHWAFA-CYBMUJFWSA-N 436.924 5.592 30 20 IKED CC(C)=CC(=O)NCc1ccc(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 782485125 DRVHRFQALVPDOT-HXUWFJFHSA-N 437.543 5.299 30 20 IKED CC[C@H](C)Oc1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 783463403 FCNVFNKLSGZTOA-UUOWRZLLSA-N 427.504 5.097 30 20 IKED Cc1cccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c1C(=O)NCCc1ccccc1 793260077 XOTYETXFHQIZDR-UHFFFAOYSA-N 425.532 5.021 30 20 IKED N#CC1(CCCSc2nnc(Nc3ccc(SC(F)F)cc3)s2)CCOCC1 798365999 FVPGGMWRNJBKIR-UHFFFAOYSA-N 442.582 5.789 30 20 IKED N#Cc1ccc(/C=C2\SC(=S)N([C@@H]3CCOc4ccccc43)C2=O)c(C(F)(F)F)c1 811624728 ORBAHWGIKLWIGO-LTKMBJGESA-N 446.475 5.302 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H](NC(=O)C1(C#N)CCCCC1)CC(C)(C)O2 811954037 UPUKSLLNCWDKBE-SFHVURJKSA-N 427.545 5.226 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C\c1cn(C)nc1C(F)F 812242024 PSGBJTFFZMOHBJ-YVMONPNESA-N 438.297 5.448 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1cnn(CC(F)F)c1)C(=O)c1ccccc1 814187699 QXTPKLLJCQGOAJ-BKUYFWCQSA-N 437.490 5.178 30 20 IKED CC(C)N(C)Cc1cc(O[C@H]2CCN(Cc3ccc(-c4ccccc4C#N)cc3)C2)ccn1 856602053 SVHLXPJBLAPQBE-MHZLTWQESA-N 440.591 5.114 30 20 IKED N#Cc1ccc(N2C[C@H](c3nc(-c4c(Cl)cccc4Cl)no3)CC2=O)cc1Cl 904308374 IRMGYQWKPVVDQV-LLVKDONJSA-N 433.682 5.089 30 20 IKED COc1ccc(/C=C/C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1OC 914520787 PTPPJFHIZMQUAC-UKTHLTGXSA-N 430.479 5.270 30 20 IKED O=C1N/C(=N/C2CCCC2)S/C1=C/c1ccc(-c2cccc(Br)c2)s1 914600864 ZJFADSRRUHRIJJ-GZTJUZNOSA-N 433.396 5.680 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc3ccc(Cl)cc3[nH]2)n(C2CCCC2)c1C 914924892 QTMWNQJISALFEF-UHFFFAOYSA-N 438.915 5.022 30 20 IKED COc1cccc(CCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1OC 915105044 YIKJFBDEFGDMJV-AWEZNQCLSA-N 434.439 5.141 30 20 IKED N#C[C@@H](C(=O)COc1ccccc1C(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1 916976865 VLLKHHPAYKWNAF-AWEZNQCLSA-N 436.842 5.738 30 20 IKED Cc1onc(-c2ccc(F)cc2)c1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916976940 XWRZBVFTTCZDAJ-KRWDZBQOSA-N 437.883 6.056 30 20 IKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 916977105 JPKGECOWHOOHAL-MGPUTAFESA-N 435.574 5.434 30 20 IKED O=S(=O)(c1ccc(N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1)C(F)F 917059028 DFERELBWEGWHNV-JZYVYDRUSA-N 425.341 5.004 30 20 IKED CC(C)N(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)Cc1ccc(Cl)c(Cl)c1 917160759 GIXMVGCHMRZZAP-KRWDZBQOSA-N 439.346 5.441 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CSc3ccc(F)cc3C2=O)cs1 917559243 GMOZZZRRTPSKKE-MDWZMJQESA-N 428.485 5.478 30 20 IKED Cc1nc2sccc2c(=O)n1N=Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 917580706 OZJZJTGTHPVSOY-UHFFFAOYSA-N 440.868 5.003 30 20 IKED Cc1cc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c(C)n1C1CCCCC1 920265833 VFYZXOXGFBXSEJ-UVIRAJKCSA-N 430.577 6.018 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4c(Cl)cncc4Cl)cc3)CCC2)C1 1785787276 UXZMTFICAJOFPE-UHFFFAOYSA-N 430.335 5.102 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3c(C)noc3CCC)cc2)CCC1 1788781179 LKFDCLJOCMSFSC-OAQYLSRUSA-N 435.568 5.452 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)nc4ccccc34)cc2)CCC1 1788990646 WUARRFHZWFMTNS-UHFFFAOYSA-N 431.923 5.049 30 20 IKED Cc1ccn(C)c1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1790183416 DLVZXUTZRBDASE-IBGZPJMESA-N 440.547 5.022 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4c[nH]c5ccccc45)CCC3)cc2)c1 1790258388 NFQFKJYDYIRITJ-UHFFFAOYSA-N 448.526 5.030 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3nc(C(C)C)cs3)CCC2)cc1)C(F)(F)F 1791302897 BYYBWMUKFWXUDB-UHFFFAOYSA-N 437.487 5.133 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCCc3cccnc3)cc2)CCC1 1791950712 MAWUVKDXBAILTO-XMMPIXPASA-N 431.580 5.307 30 20 IKED CC(C)Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@H](C)C#N)c2)C3)cc1 1800648017 QYUGQXOYIXOVCZ-NEBIIKFJSA-N 443.591 5.078 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CCc3ccccc3Cl)C2)CC1 1809357903 UBHZNXFZVUDQSJ-UHFFFAOYSA-N 445.047 5.496 30 20 IKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCCCC(C)(C)C)[nH]n1 1815209705 QUWDRKCDSBEBAI-OAQYLSRUSA-N 446.636 5.381 30 20 IKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 1831851753 VXZVDBQSIBDXAZ-NRFANRHFSA-N 435.395 5.030 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)Nc1ccc(F)cc1 10828116 XMNZPFULRRXVFW-UHFFFAOYSA-O 448.370 6.033 30 20 IKED O=C1N/C(=N/C2CCCC2)S/C1=C\c1ccc(-c2ccc(Br)cc2)s1 22535408 IBNBIPOMBOMLDX-BOPFTXTBSA-N 433.396 5.680 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccc(C)cc1Cl 32785813 MQYCICXKUGEVMO-MRXNPFEDSA-N 426.973 5.136 30 20 IKED COc1ccc(C(=O)/C=C/c2cccc(/C=C/C(=O)c3ccc(OC)cc3F)c2)c(F)c1 34714691 GPAMNQHCCQLIJB-PWHKKFIBSA-N 434.438 5.774 30 20 IKED Cc1ccc(C[C@H](C#N)Sc2nnc([C@H](C)N(C)C)n2-c2ccc(Cl)cc2)cc1 60707776 BWCPBCFJIIHHCW-OXJNMPFZSA-N 425.989 5.079 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 63403597 PRUFPSRXBFRXPT-OAQYLSRUSA-N 441.940 5.797 30 20 IKED C=CCn1c(SCc2nc(-c3ccco3)no2)nc2sc(-c3ccccc3)cc2c1=O 105739456 ODPKUMHGIPJYTJ-UHFFFAOYSA-N 448.529 5.246 30 20 IKED Cc1cccc(OCc2nnc(S[C@@H](C)C(=O)/C=C3\N(C)c4ccccc4C3(C)C)o2)c1 214692791 PPONSVHTOBVRKG-CPEHUTGBSA-N 449.576 5.318 30 20 IKED C=CCNC(=O)Nc1ccc(NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 237910479 NUCYKTALMGPDCL-UHFFFAOYSA-N 432.471 5.749 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 255947379 NNPWUCGFVXRVPC-QHCPKHFHSA-N 445.588 5.401 30 20 IKED CSc1nnc(CCCNc2c(C#N)cnc3ccc(Cl)cc23)n1C1CCCC1 301516564 JYDSWVNJUSWJLC-UHFFFAOYSA-N 426.977 5.233 30 20 IKED C=CCN(C(=O)c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1)c1nc(-c2ccccc2)cs1 302948241 LYGQLFZOFNYYBA-BGYRXZFFSA-N 447.604 5.252 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)cc1 303837267 PSHIOMVBYSYFQN-UXHICEINSA-N 434.898 5.866 30 20 IKED CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 429103779 MMFSTVMQPLSOSF-GRRSPOJPSA-N 444.000 5.197 30 20 IKED N#CCCC[C@H](NC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccccc1 431382149 LHYUYNPTROFAGZ-JBACZVJFSA-N 426.358 5.429 30 20 IKED C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(C)c(Oc2ncccc2Br)c1 436418870 YGFOCIYPEXHJLM-HNAYVOBHSA-N 446.345 5.048 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 438179422 QEQQKYHMUKROBM-SFTDATJTSA-N 439.441 5.195 30 20 IKED CCCOc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 439149014 WWGBIOREWAHNQY-UHFFFAOYSA-N 449.894 5.370 30 20 IKED N#Cc1c(SCc2nc(CCc3ccccc3)no2)nc2c(c1-c1ccco1)CCC2 439278838 QJIZIBBPBPIMLC-UHFFFAOYSA-N 428.517 5.162 30 20 IKED Cn1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1NC(=O)NCC1CCC(C#N)CC1 441746576 AJMQLYNBIWLCBE-UHFFFAOYSA-N 439.869 5.211 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccccc1Cn1cncn1)c1ccc(C(F)(F)F)cc1 442202977 BBQKXGNVLNFHEA-LJQANCHMSA-N 429.446 5.174 30 20 IKED Cc1cc(O)c(C(C)C)cc1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 443567436 BVKXJODIUHZCQZ-UHFFFAOYSA-N 429.520 6.113 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)C[C@H](c2ccccc2)C(F)(F)F)c1C#N 445558454 OUKQCFOFZILQTF-QGZVFWFLSA-N 430.455 5.141 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1c(F)c(F)cc(F)c1F 446250109 UVOJCXHMYJUCCJ-LLVKDONJSA-N 433.245 5.685 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c(F)ccc(C)c1Br 447395088 RNMGUSCAMAXLBU-UHFFFAOYSA-N 439.284 6.121 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCc1cc(Br)ccc1OC(F)F 462235508 VHYNVYLYBJHCRH-LBPRGKRZSA-N 427.314 6.057 30 20 IKED Cc1nc(C2CCCC2)sc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 463747421 BUDBGRWXZYEPGY-UHFFFAOYSA-N 439.528 6.386 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1cc(C(F)(F)F)ccn1 464411584 PXWPUPKCMQWHAH-CYBMUJFWSA-N 441.356 5.733 30 20 IKED N#Cc1cccc(-c2cnc(CNC(=O)c3c(F)cccc3Sc3ccccc3)[nH]2)c1 467923910 CYJSBVRXZCNTIL-UHFFFAOYSA-N 428.492 5.169 30 20 IKED N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)cc1 470746112 RHAKGNRVMKWZRW-NRFANRHFSA-N 431.442 5.071 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1cccnc1Oc1ccc(Cl)cc1Cl 471361165 ADIHAUXNYUBTTN-UHFFFAOYSA-N 442.306 5.523 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1cn(-c2ccccc2)nn1 471435110 GNGWWHQSQWGAKB-DLBZAZTESA-N 437.594 5.094 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1cc(Cl)ccc1Sc1ccc(F)cc1 473681899 MBIAZXYDKGYSNZ-UHFFFAOYSA-N 440.931 5.973 30 20 IKED O=C(NCc1cccc(COCC(F)(F)F)c1)N[C@H](c1ccc(F)cc1)C(F)(F)F 482140314 FTEUIMLLVDVCNJ-MRXNPFEDSA-N 438.343 5.007 30 20 IKED CC[C@@H](CN(CC)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1 482253737 GYDCTTSPDQFAJO-IBGZPJMESA-N 446.551 5.065 30 20 IKED Cc1cc(CNC(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)on1 482329659 LJVFUNHEOYYHKI-GFCCVEGCSA-N 449.273 5.123 30 20 IKED COc1ccc(C(=O)Nc2ccc(C(=O)N[C@H](CCCC#N)c3ccccc3)s2)cc1 487573622 KJPMAEUYZLOUMJ-HXUWFJFHSA-N 433.533 5.174 30 20 IKED Cc1sc(-c2ccco2)nc1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 487998914 YUZTUKKQLIXRSI-UHFFFAOYSA-N 431.492 5.565 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1SCc1nc(-c2ccc(C(F)(F)F)cc2)no1 488734743 NQDFREINFFTGPP-UHFFFAOYSA-N 430.333 5.333 30 20 IKED C=CCOc1ccc(-c2nnc(SCCC(=O)Nc3ccccc3SC)o2)cc1 489796967 LVCHGMJMLRXIHP-UHFFFAOYSA-N 427.551 5.144 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccccc3)[C@H](CO)C3CC3)cc2)cc1 490436113 RNZKGJDNRPYHEK-RUZDIDTESA-N 427.504 5.156 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CCc2cccc(Br)c2)cc1 490654432 XWWWMJGRGKZZOJ-UHFFFAOYSA-N 449.348 5.665 30 20 IKED COc1ccc([C@@H](NCc2cc(C#N)ccc2Br)c2ccc(F)cc2)cc1 492509263 GIMCXTMACZCSAU-QFIPXVFZSA-N 425.301 5.348 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 494090580 RXWUTQDKAMAZBJ-HXUWFJFHSA-N 442.588 5.228 30 20 IKED COc1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)cc1Oc1ccc(C)nn1 494584743 PREVOKIGQZNOAK-UHFFFAOYSA-N 430.489 5.233 30 20 IKED N#C[C@H](C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1nc2cc(Cl)ccc2s1 497896109 CXCKSRAIMVZSCF-QGZVFWFLSA-N 444.965 5.156 30 20 IKED C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 502224707 FXWFUKUVOZPIEQ-LJQANCHMSA-N 442.519 5.034 30 20 IKED COc1ccc(F)cc1[C@@H](C)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 504736448 CLYBBRGITSGCDT-QGZVFWFLSA-N 433.483 5.362 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2oc3cc(OC)ccc3c2-c2ccccc2)cc1 509261945 FGHYSROJVCBDRA-UHFFFAOYSA-N 426.472 5.277 30 20 IKED COCCN(Cc1ccccn1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510056953 OUINLKDBXWTTHX-QFIPXVFZSA-N 434.927 5.071 30 20 IKED Cc1c([C@H](C)NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)oc2ccccc12 510206096 CFDYEGKRAXIAPF-AWEZNQCLSA-N 449.561 5.639 30 20 IKED N#Cc1cnc(Sc2nnc(COc3ccccc3F)n2-c2ccccc2)c(Cl)c1 513619009 JRHQZMGVDWNGQL-UHFFFAOYSA-N 437.887 5.057 30 20 IKED CN(C[C@H]1OCCc2ccccc21)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 513999276 LGYOSNMJCXQHAD-AREMUKBSSA-N 441.531 5.109 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(SC)c2)nnc1-c1ccc(Cl)cc1 514955169 ZNZCAHQKYJTHRL-CQSZACIVSA-N 445.013 5.626 30 20 IKED COc1ccc(Br)c2[nH]c(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc12 517455563 RTHAJEVZTDSVMR-GFCCVEGCSA-N 444.354 5.443 30 20 IKED C[C@H](Nc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1[N+](=O)[O-])c1ccccn1 517795705 LCKXZEPUWAXVLC-HOCLYGCPSA-N 443.488 5.263 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)s2)cc1 518642054 NBHJABFHSQDEBZ-KRWDZBQOSA-N 432.530 5.136 30 20 IKED COc1ccc(F)cc1-c1csc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)n1 518903625 LQELHCFOBMAHTO-UHFFFAOYSA-N 446.463 5.269 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)c2occc2CSc2ccccc2)CC1 520336656 NHAJGRCMLAOWGZ-UHFFFAOYSA-N 432.545 5.564 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(COc2cccc(Br)c2)o1 520808498 GATNIXFNENLYKV-UHFFFAOYSA-N 442.313 5.302 30 20 IKED Cn1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(-c2ccccc2Cl)n1 521267841 AMNVXMPIGFJHGA-UHFFFAOYSA-N 428.879 5.657 30 20 IKED C=CCOCC(=O)Nc1ccccc1CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 521523926 DVFDDSSWJHPHOU-UHFFFAOYSA-N 449.554 6.165 30 20 IKED C[C@H](SCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(OC(F)F)cc1 522962579 KKYIOLWWRGJPMZ-CABCVRRESA-N 436.549 5.973 30 20 IKED CC[C@@H](c1ccccc1)c1nnc(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)o1 524311912 POUSPOJKIVLIKT-JXFKEZNVSA-N 438.528 5.178 30 20 IKED COc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 524437678 XCDBVAIRZGPPGG-LJQANCHMSA-N 429.520 5.679 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](CN3CCCCC3)C2)cc1Cl 525841111 NDWXARBLJKNOIT-CVDCTZTESA-N 436.987 5.335 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCC[C@H]2c2ccc(Br)cc2)c1 530743592 ZIJKJSPFXPYLCB-NRFANRHFSA-N 427.342 5.234 30 20 IKED Cc1ccc(C(=O)N[C@@](C)(C#N)CCc2ccccc2)cc1NC(=O)c1ccccc1F 533505974 WWNYZZDPQZEOPV-AREMUKBSSA-N 429.495 5.031 30 20 IKED COC(=O)c1cccc(CN[C@@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)c1C#N 533689624 KEKZAOLOTSTHOA-QHCPKHFHSA-N 438.499 5.224 30 20 IKED CC[C@@H](C)n1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1C1CC1 535518306 CFQUZTOICUZVFU-MRXNPFEDSA-N 448.954 6.088 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC2(CCN(Cc3ccccc3)C2)CC1 535680006 JWJXZQCHJTUVOP-NRFANRHFSA-N 448.636 5.458 30 20 IKED C=CCCOCCCCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl 537194057 SBXOMGUQSWSDGS-LJQANCHMSA-N 427.372 5.076 30 20 IKED Cc1sc([C@H](C)NC(=O)Nc2cc(C)n(CCC#N)n2)nc1-c1ccc(Cl)cc1 540816864 PRFDFJCSBNTFIH-ZDUSSCGKSA-N 428.949 5.073 30 20 IKED C[C@H]1C[C@H](c2cccnc2)N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 544534693 IJQLRYNMMMFFMY-KSFYIVLOSA-N 432.911 6.014 30 20 IKED Cc1cc(C)cc(Oc2ccc(NC(=O)C(=O)N[C@H](CCCC#N)c3ccccc3)cc2)c1 551595494 DSJFOBXLBRRZSR-RUZDIDTESA-N 441.531 5.586 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cc(F)cc2nccnc12 551692580 OKJQUIITKVLLIO-UHFFFAOYSA-N 431.311 5.079 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC1(c2ccc(Cl)c(Cl)c2)CC1 557553682 HXVYAAPBVGTFNQ-AWEZNQCLSA-N 434.392 5.605 30 20 IKED COCCCCN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 558505252 CHUMAGPVRKDUDQ-UHFFFAOYSA-N 430.508 5.206 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@H](C)C[C@H]1c1ccccc1F 565568110 ZUWCXBWHPOWLJI-KUHDOKTFSA-N 432.543 5.436 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 578176341 CAYCFWHDGBRAJG-MLNJSSBLSA-N 449.407 5.373 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)cc2)ccn1 583537077 RLBKXQNJKILKSS-UHFFFAOYSA-N 444.878 5.625 30 20 IKED CC(C)(C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 589044540 PXYYWKHJIMXDOQ-CHWSQXEVSA-N 449.357 6.009 30 20 IKED C=CCc1cc(CNC(=O)N[C@H](c2ccccc2)c2ccccc2OC)cc(OC)c1OC 594979881 LVJORPASROMANW-RUZDIDTESA-N 446.547 5.030 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Sc1ccccc1)c1ccc(C#N)cc1 603720317 JMLWUQINPNQHES-OAHLLOKOSA-N 435.936 5.179 30 20 IKED Cc1ccc(C2=NN(C(=O)CNc3cccc(OCCCC#N)c3)[C@@H](c3ccco3)C2)cc1 604008775 BYFXKLFHRMZVQC-XMMPIXPASA-N 442.519 5.060 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(c1ccccc1)c1nc2ccccc2s1 604468953 YMUDHXMARQBGTA-UHFFFAOYSA-N 428.517 5.183 30 20 IKED Cn1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(-c2ccncc2)n1 604490983 YVHFLHQIBPKCLJ-UHFFFAOYSA-N 429.867 5.052 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(-n4nccc4-c4ccc(F)cc4)cc3)[nH]c12 605363039 DWAKVUOIDBVEBT-NRFANRHFSA-N 435.462 5.353 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cc(Br)ccc2Cl)c1 608945926 QSRDOFONNOKDFM-UHFFFAOYSA-N 431.673 5.398 30 20 IKED N#Cc1ccc(CN(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C2CC2)cc1 608998394 ADXPWWTVFUBEAT-GJZGRUSLSA-N 433.396 5.142 30 20 IKED CC(C)[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1nc(C2CC2)no1 609046819 MOPRIAIELMIDBG-JOCHJYFZSA-N 445.523 5.111 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCc3nc(-c4ccco4)no3)cc2Cl)c1 609062966 NEHOTBCLNIYRMA-UHFFFAOYSA-N 448.866 5.005 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1 609399451 YHEBTOSBJXRIHG-GOSISDBHSA-N 433.581 5.425 30 20 IKED N#Cc1ccccc1COc1cccc(CNCc2ccc(OCC(F)(F)F)cc2)c1 609432847 VRGRNZSNWCLCET-UHFFFAOYSA-N 426.438 5.368 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ncc(-c2ccccc2)o1 610068167 ASCMRNKLIHWORT-INIZCTEOSA-N 427.435 5.636 30 20 IKED CCOC(=O)CCC1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 610981256 SUNSMRXYFHDPKW-UHFFFAOYSA-N 436.577 5.046 30 20 IKED N#C[C@H](C(=O)c1ccccc1C(=O)c1cccs1)c1nc(-c2ccc(Cl)cc2)cs1 613319332 COXYGXQMAMDJAW-GOSISDBHSA-N 448.956 6.246 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnn1Cc1ccccc1 613403125 BPKKUHYXUOLSGI-INIZCTEOSA-N 440.450 5.358 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](C(F)(F)F)C4(CCC4)C3)cn2)cc1 619786517 IWWLYTGFZVVFBQ-SFHVURJKSA-N 430.430 5.332 30 20 IKED C=CCCOCC(=O)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 620326473 BESJIZZMOSZAHK-HNNXBMFYSA-N 441.380 5.222 30 20 IKED O=C(NCc1ccccc1C(F)(F)F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 621414181 LPPJZRWFOTUZOY-QWRGUYRKSA-N 436.318 5.414 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1Sc1nc(C)nc2sc(C)c(C)c12 669672641 VDPHJFUVCRJHLQ-UHFFFAOYSA-N 441.557 5.263 30 20 IKED COCCCOc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 674300033 WWTMBAXJJDFYLI-MRXNPFEDSA-N 434.439 5.220 30 20 IKED C[C@@H](OC(=O)[C@H](C)c1c(Cl)cccc1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 726033694 ZNYCZJBSQZBOME-GHMZBOCLSA-N 437.348 5.089 30 20 IKED COc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccccc2)cc1NC(C)=O 726429885 WKXCFGJOGICASW-SQFISAMPSA-N 437.499 5.402 30 20 IKED CCOc1c(Cl)cc(/C=C\C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1OC 727267339 HIVXHOASLRSMKQ-SREVYHEPSA-N 434.832 5.077 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](CN3CCCCCC3)C2)cc1 728687844 OTRWTLJTELGYDR-GJZUVCINSA-N 430.596 5.462 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc(-c2c(F)cc(F)cc2F)c(C)s1 728834670 DCBAORXRMYBELZ-UHFFFAOYSA-N 442.422 5.352 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)O[C@H](c2cccc(F)c2)c2ccccn2)o1 729195514 KRTOHWFJZDQDCD-XMMPIXPASA-N 428.419 5.211 30 20 IKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)COc2ccc(C3SCCCS3)cc2)cc1 731197979 BOTGNFUUUIFPTP-OAQYLSRUSA-N 440.634 5.613 30 20 IKED CC(=O)C1=C(c2ccc(C)cc2)N(Cc2cccs2)C(=O)N[C@H]1c1csc(C2CC2)n1 731431758 ZNMHVONZRVVAFK-NRFANRHFSA-N 449.601 5.657 30 20 IKED Cc1ccc(-c2cc(C(=O)N(CCC#N)c3ccc4c(c3)OCCO4)c3ccccc3n2)o1 732763011 SQAHACNQJITCRH-UHFFFAOYSA-N 439.471 5.135 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cccc(COc3ccccc3)c2)ccc1OC 733626036 CFEWPEWZVJKLIG-JOCHJYFZSA-N 445.519 5.277 30 20 IKED C[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccccc1OC(F)F 740027500 QCGWTTRBFIEZKR-CQSZACIVSA-N 427.476 5.449 30 20 IKED CSc1ccc(O[C@@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 741111329 KJHFTJLYKSYYSB-UWJYYQICSA-N 446.528 5.316 30 20 IKED CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 741539828 VGVIFGNYBMHTBH-RUZDIDTESA-N 425.532 5.209 30 20 IKED C#CCN1CCC(C(=O)N2C[C@@H](c3ccccc3Cl)c3c([nH]c4ccccc34)[C@H]2C)CC1 742275547 CGWLIRSHLWSIBN-GCJKJVERSA-N 445.994 5.202 30 20 IKED COc1ccc([C@H](NCc2ccc(N(C)CCC#N)cc2)c2ccccc2Cl)c(C)c1 742389026 WPXFWARRDVFITQ-SANMLTNESA-N 433.983 5.886 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN(CCc2ccc(C)cc2)Cc2ccco2)c1=S 743385834 SKUVEXNCQYITJE-UHFFFAOYSA-N 445.592 5.266 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)cc1 744033439 QFDVJNHNAFEKPN-OXQOHEQNSA-N 437.515 5.285 30 20 IKED COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)OCc1cc(C#N)ccc1F 745542800 YSSQKZUKEZDMAY-UHFFFAOYSA-N 434.851 5.063 30 20 IKED N#CCCN(Cc1ccco1)C(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12 746594921 IPJIJZFJKNXWEN-UHFFFAOYSA-N 438.512 5.661 30 20 IKED C[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1cccc(N2CCOC2=O)c1 748296547 KBGZCDYPTZDCKK-QGZVFWFLSA-N 443.528 5.157 30 20 IKED C=CC[C@@H](NC(=O)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1)c1ccncc1 749726942 RZMQOZCHSYJBJD-HXUWFJFHSA-N 442.544 5.039 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 752614670 FQSYFWZLWIJBQT-UZLBHIALSA-N 425.554 5.285 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C 762953577 KTYLPWWKROWMQK-XLIONFOSSA-N 439.581 5.155 30 20 IKED N#Cc1cc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(Cl)c([N+](=O)[O-])c1 764310393 IBHBPGMZWANCJC-UHFFFAOYSA-N 426.668 5.894 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\C(=O)c3ccccc3[C@H]2C(C)C)cs1 766506633 PNVNYFFRRXTDRV-BYUJNSPJSA-N 436.964 6.501 30 20 IKED CC[C@H](C#N)Oc1cccc(CNCc2ccc(OC(F)F)c(Br)c2)c1 768596252 FIQZFXRFWYXKCM-OAHLLOKOSA-N 425.273 5.021 30 20 IKED N#CCCn1cc(CNc2ccc(N3CCc4sccc4C3)cc2)c(-c2ccccc2)n1 770550660 NZRQPYNDKCLLLX-UHFFFAOYSA-N 439.588 5.700 30 20 IKED C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(N(C)C)cc1 775518493 HTBFWMPREYYIJH-LJQANCHMSA-N 428.536 5.280 30 20 IKED N#CCc1ccccc1CC(=O)N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21 776908130 XBVHVMBMSGFCRP-UHFFFAOYSA-N 442.494 5.058 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)ccc1OC 777243818 VDIYETNQUUWDDY-YCAMKHIRSA-N 447.579 5.244 30 20 IKED Cc1cc(CSc2ccccc2C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)on1 782524526 SXFLJNVIUODDJR-UHFFFAOYSA-N 449.923 5.238 30 20 IKED N#C[C@@H](COC(=O)c1csc(-c2ccccc2)n1)Cc1ccccc1Br 786640258 FXKWYZYLLYGCHI-AWEZNQCLSA-N 427.323 5.112 30 20 IKED CSc1cc(C(=O)[C@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)ccc1F 787047553 CWSKEOQHGIFDSR-HZMBPMFUSA-N 425.312 5.054 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)N(c3ccc4[nH]ccc4c3)[C@H](C)CC(C)C)CC2)o1 788531135 LJAYBGRQWNFITB-QGZVFWFLSA-N 433.556 5.020 30 20 IKED C#CCn1ccc(CN(CC)C(=O)CC2(Cc3nc4ccccc4s3)CCCCC2)n1 790117608 BEHGWUQTZJRXJR-UHFFFAOYSA-N 434.609 5.058 30 20 IKED CC1=C(Br)CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 797617014 GUDVOYXHUVOJIN-UHFFFAOYSA-N 440.341 5.238 30 20 IKED CCCCc1ccc(N2C(=O)/C(=C\c3ccc(OCC#N)c(OC)c3)SC2=S)cc1 799203250 LEAPZZLDJQCXAG-RCCKNPSSSA-N 438.574 5.346 30 20 IKED CC(=O)c1oc2cc(C)ccc2c1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 805856067 UTNPQUMDLATCLO-IBGZPJMESA-N 448.931 6.140 30 20 IKED CCOC(=O)C(C)(C)CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 805857180 OQHNEUDPITWOFH-ZDUSSCGKSA-N 425.337 5.273 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)OC[C@H]2CC[C@@H](C#N)CC2)c(OC)c1 809089532 GISQDXDWICTRNJ-KDURUIRLSA-N 446.547 5.658 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)c1cc(C(F)(F)F)ccn1 813215631 IUKZXDSQUFZYCZ-FKBYEOEOSA-N 436.433 5.659 30 20 IKED CCOc1ccc(-c2nc(CC(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)cs2)cc1 813216189 OHNOMNHBVRPJIB-QGZVFWFLSA-N 431.439 5.042 30 20 IKED N#C[C@@H](C(=O)CCCCc1ccc(Br)cc1)c1cc(C(F)(F)F)ccn1 813219162 WZKAVCZLNIOYOJ-MRXNPFEDSA-N 425.248 5.452 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2Cl)c1C#N 817879244 CZEYZZAKTUXKAH-SECBINFHSA-N 440.878 5.111 30 20 IKED Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NCc1cc(C#N)ccc1Br 864007395 ICPBLMREODAARR-INIZCTEOSA-N 426.358 5.256 30 20 IKED COc1cc(C)c([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC 915350193 KWWMQTIBCNPVJM-WZONZLPQSA-N 429.520 5.550 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(N2CCCCC2)cc1 916309906 ODNCFIWROGDEBR-UHFFFAOYSA-N 428.561 5.306 30 20 IKED COc1cccc(NC(=O)[C@H](C#N)C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)c1 916891479 UXTREAHIILKIHM-SINXNMPMSA-N 436.920 5.438 30 20 IKED N#C[C@H](C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)NC1CCCCC1 916895920 WVYCIQOAPPHBCN-FYYLOGMGSA-N 440.996 5.320 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(C)n(Cc2ccccc2)c1C 916904226 YSQABTCNTZVGFF-XMMPIXPASA-N 427.548 5.239 30 20 IKED N#C[C@@H](C(=O)CCCOc1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ccc2s1 917042804 GJFPIPPRXXXAFG-HNNXBMFYSA-N 438.858 6.004 30 20 IKED CC(=NOCc1cccc(C(=O)Nc2ccccc2)c1)c1nc2ccccc2n1C(F)F 917397895 YBNBCPZZQDNRDK-UHFFFAOYSA-N 434.446 5.625 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/C(=O)c3c(O)ccc(F)c3[C@@H]2C)cs1 917559203 FZQJKFMFFFAGBM-LKBVRNOZSA-N 426.444 5.195 30 20 IKED C=CCN(C(=O)NC[C@@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12)C(C)C 918057851 BWWJUQAIAYKQRL-NRFANRHFSA-N 435.568 5.313 30 20 IKED CCc1ccc(CN(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C2CC2)cc1 918412944 OCVNQSAUBOEVNZ-SANMLTNESA-N 437.543 5.034 30 20 IKED COc1ccc2cc(/C=C/C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)ccc2c1 920803966 HTKJDWUUNGOQLJ-IUYMFKLXSA-N 446.478 6.140 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cnc(O)c(C(F)(F)F)c3)cc2Cl)cc1 1291885847 QPSBPMNUZMUKQN-UHFFFAOYSA-N 433.773 5.376 30 20 IKED C[C@H](C#N)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCC2(CCCCC2)O1 1596831264 LBUBEKUIWRRVNW-WIYYLYMNSA-N 442.007 5.000 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CC3CCC(C)(C)CC3)CCC2)cc1 1790567536 MBNRZQVMJYFOSM-LJQANCHMSA-N 441.616 5.528 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@@H](C)c3ccc(C)cc3)cc2)CCC1 1791346195 ONQBQGHOJSDUNQ-NRFANRHFSA-N 434.580 5.215 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccc(OC)cc3)CCC2)cc1 1791726266 LNNPKGLRDHHLMX-JWQCQUIFSA-N 444.575 5.126 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)/C(C)=C/c3cccnc3)cc2)CCC1 1791853212 YYTUOURHROCGOL-ARHOYUFESA-N 429.564 5.387 30 20 IKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)nc4ccccc34)CCC2)cc1 1792263844 BGUHNOJVMLLMSX-UHFFFAOYSA-N 431.923 5.049 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2scnc2C2CC2)[nH]n1 1814442812 WGOJRHNEBRAFJX-QGZVFWFLSA-N 441.601 5.042 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)cc2)n[nH]1 1820562022 SLBLDXPKBLWCGV-UYAOXDASSA-N 426.948 5.137 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccsc3[nH]2)n[nH]1 1821433233 IMQPEZYCRJVCRK-GOSISDBHSA-N 439.585 5.251 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3occc3c2)CC1 1823752365 RGPQTFZWVRERFL-HSZRJFAPSA-N 436.596 5.659 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc(C(C)C)cs2)CC1 1825385451 IDRGDOMEPVVODJ-IFMALSPDSA-N 443.657 5.268 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3CC[C@H](C)CC3)CC2)c1 1832635342 ARMQSZACGRUHCE-IBVSPSLBSA-N 449.639 5.373 30 20 IKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1832830026 WQKJAXZAXKTZFF-AREMUKBSSA-N 446.566 5.139 30 20 IKED C=CCn1c(SCC(=O)NC(C)(C)CC)nc2sc(-c3ccccc3)c(C)c2c1=O 19354361 APSWKFBIWGHOGY-UHFFFAOYSA-N 441.622 5.016 30 20 IKED Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(CC#N)cc3)c3ccccc3n2)cc1 20034390 VGAGQLBERFFYDC-UHFFFAOYSA-N 435.483 5.072 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)nnc1-c1ccc(Cl)cc1 22044963 CIFHEKPLEKGPAY-HNNXBMFYSA-N 444.963 5.063 30 20 IKED N#CCC[C@H](C#N)CSc1nc2scc(-c3cccs3)c2c(=O)n1-c1ccccc1 24097060 GKRHYNKARXJQHT-OAHLLOKOSA-N 448.598 5.711 30 20 IKED C=CCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccs2)cc1 24447882 VOVVVBOVTRFFOW-XMMPIXPASA-N 435.545 5.118 30 20 IKED N#C[C@H](C(=O)c1ccc(Br)cc1)c1nc2cc(C(F)(F)F)ccc2s1 39776218 MOGCRIYUBWISDC-GFCCVEGCSA-N 425.229 5.568 30 20 IKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2sc(C)c(C)c2C#N)cc1 104683494 YXUDSMCTTKFUQW-UHFFFAOYSA-N 435.574 5.528 30 20 IKED C[C@H](Sc1ncc(-c2ccccc2)n1CC(F)(F)F)C(=O)Nc1cccc(C#N)c1 109621825 AUFJSLKZKDMEAY-AWEZNQCLSA-N 430.455 5.103 30 20 IKED C#CCN(Cc1ccc(F)cc1)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 303043664 HMUFXTNIIYOYFG-UHFFFAOYSA-N 440.474 5.029 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nc2ccccc2n1C(F)F 303252883 CMIQAXLCWMLLRY-CYBMUJFWSA-N 432.521 5.414 30 20 IKED Cc1c(C(=O)Nc2ccccc2S[C@H](C)CC#N)cnn1-c1cccc(C(F)(F)F)c1 303356737 OXYKOMLNLZJADG-CQSZACIVSA-N 444.482 5.846 30 20 IKED COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 409524402 XUZUHDMXBOBIFH-IRLDBZIGSA-N 446.478 5.036 30 20 IKED N#CCCC[C@H](NC(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1 431875268 KZDHKIVGGQRTSY-FQEVSTJZSA-N 441.457 5.125 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(Cl)cc1-c1cccc(Cl)c1 433838513 YIYIQVKSISVFLA-UHFFFAOYSA-N 425.319 6.003 30 20 IKED N#Cc1cc(NC(=O)NCCc2ccccn2)ccc1Oc1ccc(C(F)(F)F)cc1 438556763 USDIXJKGPSHMRB-UHFFFAOYSA-N 426.398 5.129 30 20 IKED CO[C@H](C)c1nc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cs1 438629392 QTULJQNHOJGEKG-KUHUBIRLSA-N 440.956 5.481 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1nc2ccccc2o1 442685129 YHCDDOUBCHMDJX-NSHDSACASA-N 425.231 5.207 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)Nc3ccc4ccoc4c3)cc2Cl)cc1 443649376 HEWWNWNGGLYYCZ-UHFFFAOYSA-N 431.835 5.327 30 20 IKED N#CCCCn1cc(C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)c2ccccc21 444266395 OFTCZJKVELPBHV-LJQANCHMSA-N 435.955 5.530 30 20 IKED O=S(=O)(Nc1cc(F)c(OC(F)F)cc1F)c1ccc(Cl)cc1C(F)(F)F 447264681 NGAHGFJIQKWZOA-UHFFFAOYSA-N 437.720 5.039 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3ccnn3Cc3cccc(Cl)c3Cl)on2)c1 447471068 NQEMAMNYRUEZEZ-UHFFFAOYSA-N 438.274 5.017 30 20 IKED C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 460792402 JAOBFLCPTARDSR-IBGZPJMESA-N 429.572 5.164 30 20 IKED C[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(F)cc1F 466419660 PADXXPOJLLOMTQ-QGZVFWFLSA-N 437.465 5.491 30 20 IKED CC(C)(C)OC1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 469697813 MSWIGRHWRPLGHE-UHFFFAOYSA-N 425.504 5.088 30 20 IKED COc1cc(Br)ccc1[C@@H](C)NC(=O)Nc1ccccc1SC[C@H](C)C#N 470364217 SCTTXQHDZDWZIM-ZIAGYGMSSA-N 448.386 5.592 30 20 IKED C[C@H](CCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1 470504193 VBHINHBQNPIJTG-QGZVFWFLSA-N 445.485 5.324 30 20 IKED N#Cc1ccc(-c2nnc(CNC3(c4cccc(C(F)(F)F)c4)CCCCC3)o2)cc1 477650823 PSVRTUWBXOIYJB-UHFFFAOYSA-N 426.442 5.576 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 481602060 ZWQFLAWPOSHMPK-XMMPIXPASA-N 445.494 5.654 30 20 IKED CCOC(=O)c1csc(N(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C2CC2)n1 481854824 BMRACQQVEZAWRS-UHFFFAOYSA-N 449.557 5.152 30 20 IKED CC1(C)CN(C(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)CC[C@@H]1C(F)(F)F 482044820 IUQLBIVEWBNOGW-AWEZNQCLSA-N 437.359 5.081 30 20 IKED CC[C@H](Oc1ccccc1Cl)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 482126409 XWXSJVDZKKCNSM-INIZCTEOSA-N 444.969 5.152 30 20 IKED Cc1cc(CNC(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)on1 482329660 LJVFUNHEOYYHKI-LBPRGKRZSA-N 449.273 5.123 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(Cl)cc3C(=O)N3CCCC3)c2)cc1 483047522 YIXNBCWJHSODEJ-UHFFFAOYSA-N 445.906 5.492 30 20 IKED C=CCN(C(=O)COc1ccc(Oc2ccccn2)cc1)c1nc(-c2ccccc2)cs1 483461208 SDNBMUIJIZQZOL-UHFFFAOYSA-N 443.528 5.595 30 20 IKED C=CCN(C(=O)c1oc2ccc(F)cc2c1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 484564696 MWSZGLHMSWPVRI-UHFFFAOYSA-N 437.452 5.745 30 20 IKED CC(=O)N(c1nc(/C=C/c2nc3ccccc3n2CC#N)cs1)c1ccc(F)cc1F 486080221 ZJHSBWZWUZEYLY-VQHVLOKHSA-N 435.459 5.150 30 20 IKED CC(C)(C#N)c1ccccc1CSc1nnc(CN2CCCCC2)n1Cc1ccccc1 487240511 GXMINBCWXFWXPA-UHFFFAOYSA-N 445.636 5.406 30 20 IKED C[C@@H](N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)C(=O)N(CCC#N)c1ccccc1 488010639 WSUDXJBKHQKADR-CLOONOSVSA-N 433.502 5.174 30 20 IKED C=CCn1c(S[C@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)nnc1-c1cnccn1 488881520 OSFUZNVWLHAMMW-QHCPKHFHSA-N 441.560 5.254 30 20 IKED C=CCn1c(SCc2csc(COc3ccc(C)cc3)n2)nnc1-c1ccccn1 488908389 HPKOINSPSVZOJN-UHFFFAOYSA-N 435.578 5.162 30 20 IKED CCN(CCC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 492147897 NJTTUPODLZKKIM-KNTRCKAVSA-N 440.503 5.396 30 20 IKED N#C[C@@H](NC(=O)c1ccc(COc2ccc(Br)cc2)o1)c1ccccc1Cl 499945974 PVCHRESLOREBSC-GOSISDBHSA-N 445.700 5.269 30 20 IKED CCN(C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1)[C@@H](C)c1ccc(C#N)cc1 500134224 DTOHIIYMEKPBSU-RDPSFJRHSA-N 439.559 5.173 30 20 IKED CC(C)CN(C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1ccc(C#N)cc1 500240774 PHRUAPURWVLUKA-QHCPKHFHSA-N 439.559 5.253 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)Cc3ccc(OCc4ccccn4)cc3)c2)cc1 502047540 APIPZXJIIQDJKT-UHFFFAOYSA-N 435.483 5.506 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1[C@@H](C)CC 504282642 VSXQZDMSFRKWEO-ZWKOTPCHSA-N 440.638 5.673 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1sc2c(c1C#N)CCCCC2 505128684 KYLBIPGNFHUSLP-UHFFFAOYSA-N 441.553 5.624 30 20 IKED C[C@@H](Sc1nc(N)c(C#N)cc1C#N)c1nc2cc(Cl)ccc2n1Cc1ccccc1 507345015 FLESCSOUZRUTRF-CQSZACIVSA-N 444.951 5.312 30 20 IKED C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 508494583 QLYMLDXKEPUWCR-UHFFFAOYSA-N 437.547 5.087 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N(CCc2ccccc2)Cc2ccc(C)s2)cc1 511420411 KEHYQSUJADBTKI-UHFFFAOYSA-N 433.577 5.249 30 20 IKED C[C@H](c1ccccc1Cl)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511438349 JHXVPBMIBCMCGY-MRXNPFEDSA-N 432.911 5.689 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)[C@H]2CCCN(C3CCC3)C2)cc1 512921712 CNNMPMKQDVOHCA-ICSRJNTNSA-N 448.567 5.134 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cccc(COc3ccccc3C#N)c2)cc1 514243836 YRZSJMMAUMBRJZ-UHFFFAOYSA-N 425.488 5.096 30 20 IKED N#C[C@H](C(=O)c1ccccc1NC(=O)c1cccs1)c1nc2ccccc2n1C(F)F 515539415 RIWXYDRHPUYTKF-CQSZACIVSA-N 436.443 5.235 30 20 IKED N#Cc1ccc(CCC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)cc1 517304876 ZFWLZZNRDYVLGM-UHFFFAOYSA-N 441.531 5.987 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2nc(-c3ccccc3OC(F)F)cs2)c1 518381621 BYBFEDYEXZTLDE-UHFFFAOYSA-N 443.475 5.471 30 20 IKED COc1cccc(CO[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 518668847 PNKXYXCFEMMYNS-AWEZNQCLSA-N 438.471 5.264 30 20 IKED C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1cc(Br)ccc1Cl 519401174 METUFMRFHOCPOI-NSHDSACASA-N 445.791 5.155 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 520924007 DFHJTXQNNJDESE-CQSZACIVSA-N 427.982 6.039 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)[C@H](C#N)c3nc4cccc(C)c4[nH]3)cc12 522828695 WDSMYUXHLWVVAZ-KRWDZBQOSA-N 445.935 5.724 30 20 IKED C=CCN(C(=O)c1cnc(-c2ccccn2)s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 524089660 WWYJKBZZEJFIHY-UHFFFAOYSA-N 449.517 5.070 30 20 IKED N#CCCN(C(=O)CCC(=O)N(Cc1cccs1)Cc1cccs1)c1ccccc1 524443256 HRGFFJSPUVSLII-UHFFFAOYSA-N 437.590 5.065 30 20 IKED COc1ccc(Br)cc1S[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 525003176 QKMUAUHDSFGHAN-CYBMUJFWSA-N 437.334 5.024 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)c3cnn(C(C)C)c3n2)s1 538578263 FXVDRZPCRGXIEI-INIZCTEOSA-N 449.605 6.119 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccc(Br)c2ccccc12 539097643 MHLFQFLIRJMEKV-UHFFFAOYSA-N 436.309 5.221 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](CC(F)(F)F)c1ccc(F)cc1 540376857 JQKYSUFZJVIDJW-KSSFIOAISA-N 439.478 5.299 30 20 IKED N#CCCn1cc(CN2CCO[C@@H](c3ccccc3C(F)(F)F)C2)c(-c2ccccc2)n1 540996046 MOJRFRZNBQARDE-JOCHJYFZSA-N 440.469 5.056 30 20 IKED COCCOc1ccc(C#N)cc1N[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 541259668 QDWVCZLFIQPNDV-LBPRGKRZSA-N 433.295 5.113 30 20 IKED CC[C@@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1nc(C(F)(F)F)cs1 541636309 SSJSACOMYHBONT-CYBMUJFWSA-N 442.532 5.043 30 20 IKED Cc1nccc(NCc2cccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)c2)n1 541729516 IHADPXLXNYFRAH-UHFFFAOYSA-N 435.487 5.313 30 20 IKED FC(F)(F)c1cc([C@@H](NCc2ncc(C3CC3)o2)C(F)(F)F)cc(C(F)(F)F)c1 542124368 XFHSOFBNZSWVMV-CQSZACIVSA-N 432.286 5.983 30 20 IKED C[C@H](NC(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 543019001 XCWGRMTUYMMYCN-HEKQDTSFSA-N 445.588 5.426 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 554932469 UZLQNRCXUTWIFX-KMAVCZJNSA-N 444.579 5.305 30 20 IKED CCSc1cccc(Br)c1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 582576299 GXQHOCUASZOANF-UHFFFAOYSA-N 430.371 5.629 30 20 IKED Cc1ccncc1[C@H](C)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 588346812 YWBJOPHOURTTMJ-ZDUSSCGKSA-N 445.470 5.211 30 20 IKED C=CCN(C(=O)COC[C@H]1CCCO1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 603434424 JAIIQJYXRHFAPE-JOCHJYFZSA-N 434.561 5.192 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cc2cnn(C(C)C)c2nc1C 603532973 JBCAAIYERKPYAL-UHFFFAOYSA-N 441.510 5.487 30 20 IKED C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1 603992782 YTDALHXIIVCQFM-AUUYWEPGSA-N 427.529 5.232 30 20 IKED COc1cccc2c1OCC[C@@H]2NC(=O)c1ccccc1SCc1ccc(C#N)cc1 608778176 DNEDFTFQGOZDTN-NRFANRHFSA-N 430.529 5.113 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1Cl 609164411 NEUAPSVHYUWAMQ-GOSISDBHSA-N 430.851 5.637 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N(CCC#N)c1ccc(F)cc1 609521968 SLOMPPMGSQGLQY-UHFFFAOYSA-N 441.915 5.662 30 20 IKED CC(C)C[C@@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)N[C@@H](C)c1ccccc1 609549913 QBKQHFXKOVGFAS-RDPSFJRHSA-N 442.563 5.241 30 20 IKED CC(C)C[C@H](NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1 609937035 ZTVWSYFYJHHGEK-DEOSSOPVSA-N 427.504 5.193 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1csc(-c2ccc(Br)s2)n1 609969076 PYYCZBRZTKCOTJ-UHFFFAOYSA-N 448.367 5.545 30 20 IKED C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccccc1C(F)(F)F 610227844 NHBRYGAKSBRTHB-GFCCVEGCSA-N 446.416 6.472 30 20 IKED CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 610987289 QFHJWUYPNSTHRY-JWQCQUIFSA-N 447.579 5.190 30 20 IKED N#Cc1cc(Cl)c(C(=O)N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c(Cl)c1 613550788 LSOXLPDPNBLKQY-INIZCTEOSA-N 446.334 5.935 30 20 IKED CCCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@@H]1CCCc2cccnc21 614137357 DADRUBRAIUVFFT-JOCHJYFZSA-N 427.508 5.462 30 20 IKED N#Cc1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1Cl 619748339 IUABBDYHNSLYAZ-UHFFFAOYSA-N 446.688 5.432 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OCc4ccccc4)cc3)n2)cc1 619756495 FSNHQXNXCJCHLU-HSZRJFAPSA-N 435.508 5.751 30 20 IKED O=C(NC1(Cc2ccc(F)cc2)CCOCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 622617434 FUBHJSPHSIDZHD-UHFFFAOYSA-N 449.366 5.385 30 20 IKED C=CCOc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC 642282163 PUZJHYHNEOCWDP-AWEZNQCLSA-N 432.423 5.379 30 20 IKED N#C[C@@H](C(=O)c1ccccc1CCC(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 677559232 GCXJZTSQQDMAIK-AWEZNQCLSA-N 442.384 6.300 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC2(CCOCC2)[C@@H]1C 685544062 SHAMLMHYKJKPOC-UXHICEINSA-N 432.568 5.153 30 20 IKED N#Cc1ccc(NC(=S)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1Cl 726455773 GLNDBBFCHDTNCA-IAZYJMLFSA-N 429.817 5.408 30 20 IKED C[C@@H]1C[C@H]1N1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 727681875 NAQAFESSQWBPFW-FSPWUOQZSA-N 447.482 5.074 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)C[C@H](c1ccccc1)C(F)(F)F 728458766 DOTLPPOGYYHUOA-CQSZACIVSA-N 442.231 5.361 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2c(s1)CC[C@@H](C)C2 731061056 OZAPHMNOMXWPED-CABCVRRESA-N 428.579 5.063 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)OCc3coc(-c4ccc(F)c(F)c4)n3)cc2)nc1 732402212 OGJRNDUPLGFRDA-UHFFFAOYSA-N 433.370 5.036 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)ccc1OC 733230718 RLAVDFZBVKXUGW-BPQIPLTHSA-N 433.335 5.103 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 733842426 URNXFTGBURLANE-HXUWFJFHSA-N 442.544 5.966 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)c1 733851656 GGYVGDNILFPOEA-SFHVURJKSA-N 432.351 5.549 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)c2)cc1 734705515 KMRFTADVWSPYGL-RUZDIDTESA-N 445.478 5.252 30 20 IKED C=CCn1c(SCc2cc(Cl)ccc2OCC#N)nc2sc(C)c(C)c2c1=O 735231363 TXJZUUGWRBWFHM-UHFFFAOYSA-N 431.970 5.109 30 20 IKED O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)c1cncc(F)c1 737446467 TXHBJHQKBHYQAO-KHPPLWFESA-N 437.430 5.076 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(OC(F)F)c2)[n+]2cccc(C)c2)c1 738009258 YIHKIAHJIPTDFV-UHFFFAOYSA-O 437.491 5.189 30 20 IKED Cc1oc(-c2ccccc2F)nc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 739155514 IJHDJYNBCAGEEY-CYBMUJFWSA-N 445.397 5.908 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2cccc(C(F)(F)F)n2)cs1 739422310 VLMIJZGSXXRJBY-UHFFFAOYSA-N 439.850 5.341 30 20 IKED C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NC1CCN(c2ccccc2C#N)CC1 740746022 UONXMDZXOKVXFC-CQSZACIVSA-N 434.392 5.131 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(O)c1 740923276 FCENQFPGSGYQCV-QFIPXVFZSA-N 443.503 5.647 30 20 IKED C[C@H](N[C@H](C)c1cccc(C#N)c1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 743491395 LRCWSVAZOYMDGQ-SAHWJRBASA-N 446.938 5.222 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1occc1COc1cccc(C#N)c1 744926993 OQVGNFNTCKATHB-GOSISDBHSA-N 446.503 5.346 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1Br 747108195 FJDBVYYNKXQIFV-CQSZACIVSA-N 426.097 5.026 30 20 IKED COc1ccc(CNC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)cc1C#N 747432625 YWTBKHVTXYGXJL-OAQYLSRUSA-N 444.535 5.392 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)c(F)cc2F)[n+]2ccc(CCC)cc2)c1 748996327 WRWNFEWSHCZPHZ-UHFFFAOYSA-O 449.546 5.818 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1OC 749130322 IZJWJGRIMBDIII-QPEQYQDCSA-N 434.517 5.226 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCC[C@@H](O)c3ccccc3)cc2Cl)c1 750595526 AXANLVWENPJNBM-JOCHJYFZSA-N 435.911 5.036 30 20 IKED N#CCOc1ccc(C(=O)/C=C/c2cnc(-c3ccc(Br)cc3)s2)cc1 751520401 ANGFLHSASDOGPE-MDZDMXLPSA-N 425.307 5.371 30 20 IKED Cn1c(Cl)cnc1/C=C1/CC(c2ccccc2)C/C(=C\c2ncc(Cl)n2C)C1=O 752884176 CKDHSVMVKFPRRZ-VRNBXGKJSA-N 427.335 5.074 30 20 IKED CN(Cc1cc(Br)ccc1Cl)C(=S)Nc1ccc(C#N)c(Cl)c1 754833057 NWLOASWQVKUYID-UHFFFAOYSA-N 429.170 5.456 30 20 IKED CC[C@H](C#N)Oc1cc(CNc2cncc(OCc3cccc(Cl)c3)n2)ccc1OC 754835726 KQDCPBKEYVJTTC-LJQANCHMSA-N 438.915 5.011 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1ccccc1NC(=O)OC(C)(C)C 755880411 CABGSKWMCROLFR-INIZCTEOSA-N 425.554 5.467 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1 760786551 UHILIAFABKCARV-UHFFFAOYSA-N 433.241 6.093 30 20 IKED N#CCOc1ccc(Cc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)cc1 761599849 ROMBUFPBKXUBLF-UHFFFAOYSA-N 427.304 5.267 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cc(C)ccc2OC(F)F)cs1 762605782 ZKAAAODKQGPNJE-TWGQIWQCSA-N 446.450 5.773 30 20 IKED COc1ccc(-c2nc(C=Nn3cnnc3SCc3ccc(Cl)cc3)cs2)cc1 767199230 NQAZBYBUNAILFH-UHFFFAOYSA-N 441.969 5.238 30 20 IKED C[C@H](NC(=O)[C@@H](C)OC(=O)c1cn(CCCC#N)c2ccccc12)c1ccc(Cl)cc1 769546452 KZIDPLLMZBCOJR-DLBZAZTESA-N 437.927 5.021 30 20 IKED N#CCSc1ccccc1C(=O)NCC1(c2cccc(Br)c2)CCCC1 771659078 PKFGXKKKFFIUSI-UHFFFAOYSA-N 429.383 5.307 30 20 IKED COc1ccc(-c2csc3ncnc(NN=C4CCN(CCC(F)(F)F)CC4)c23)cc1 779761022 GDHNCSMOEYCRGK-UHFFFAOYSA-N 449.502 5.183 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 780678041 KELWDVAMDYCJED-ZBEGNZNMSA-N 431.336 5.421 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1 780934250 IQGDMVOVACQKIM-YADARESESA-N 446.572 5.722 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCCc3c(Br)cccc32)ccc1OC 783520553 AOQXOFMMUOKALU-OXJNMPFZSA-N 429.358 5.306 30 20 IKED CC(=O)OCCc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 783613036 ARACMSMSQCALPB-UHFFFAOYSA-N 430.529 5.208 30 20 IKED Cc1cc(-c2nnc(COC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)o2)c(C)o1 783702920 BXTUKBPBHHMNPH-UHFFFAOYSA-N 449.850 5.621 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@@H](c2ccccc2Br)C1 789460833 WMXIXCJPUAPAPL-OAQYLSRUSA-N 443.385 5.906 30 20 IKED N#CCOc1cccc(CC(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)c1 791884262 YHGJBSQRQOOQES-UHFFFAOYSA-N 428.275 5.264 30 20 IKED Cc1c([C@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)oc2ccccc12 792402473 YQCPMBXKUATHDJ-FDDCHVKYSA-N 437.499 5.213 30 20 IKED CC(C)(C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1[N+](=O)[O-] 796757120 TWSBVRLEOUEFOV-GFCCVEGCSA-N 433.411 5.377 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2ncnc(Cl)c2C(C)C)cs1 797404537 PSHGWBJEJZKTCC-UHFFFAOYSA-N 442.976 5.457 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1 797625500 UAUKZRBSFUCKEP-KRWDZBQOSA-N 444.601 5.017 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2c(C(C)=O)oc3cc(C)ccc23)cc1 805855291 GHRWAUDZQDHPGC-OPAMFIHVSA-N 430.504 5.347 30 20 IKED C[C@@H](Oc1ccc(Cl)c(COC(=O)Cc2cccc(OCC#N)c2)n1)c1ccccc1 810600064 GJTPSXXNJCUTGM-QGZVFWFLSA-N 436.895 5.063 30 20 IKED N#C[C@@H](C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)c1cc(C(F)(F)F)ccn1 813213749 PDNHHURNWPCHEI-CYBMUJFWSA-N 429.225 5.637 30 20 IKED C=C(C)CN(CC)C(=O)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)o1 814298451 UBOSCMCGOUYJET-UHFFFAOYSA-N 444.531 5.357 30 20 IKED CC(C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 916210175 CFQLHYHNNFDTIJ-SFHVURJKSA-N 449.498 5.322 30 20 IKED CC(=O)N1CCc2ccccc2[C@H]1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916975135 AHYGVEKAMHREPO-IFMALSPDSA-N 449.963 5.176 30 20 IKED N#C[C@H](C(=O)CCCc1ncc(-c2ccccc2)o1)c1nc(-c2ccc(Cl)cc2)cs1 916976835 VATWXADCUQGYBX-LJQANCHMSA-N 447.947 6.318 30 20 IKED Cc1oc(-c2cccs2)nc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917043368 KDBLAFCCTANNKH-NSHDSACASA-N 433.436 5.830 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2ccc(C(F)(F)F)cn2)cs1 917534608 VNUCXNXDHKCIII-UHFFFAOYSA-N 439.850 5.341 30 20 IKED COc1ccc(OC)c(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)c1 917561641 IRWZDCVJSPDZLG-POHAHGRESA-N 442.924 5.394 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4cccs4)n3)n2)cc1 920140335 DQVHUTRVUVPEHH-INIZCTEOSA-N 432.555 5.286 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)CSc4ccc(F)cc4F)CCC3)cc2)C1 1785804581 MNDXHFIGNHGYJX-UHFFFAOYSA-N 442.531 5.157 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCc3cncc(OC)c3)CCC2)cc1 1785840962 SCBYZSAZYYESNI-UHFFFAOYSA-N 449.595 5.149 30 20 IKED Cc1cc(Cl)cc(C(=O)NC2(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC2)c1 1789579730 VAYOKDHZMNUUSA-JFLMPSFJSA-N 449.938 5.108 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c(-c2ccc(C)cc2)c1 1794589464 XSJXOHBQZWRVEO-KIHHCIJBSA-N 431.580 5.010 30 20 IKED CC(C)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCC#C[Si](C)(C)C)cc1 1798420371 AEQNUVIYLAJYEX-BKFWDETESA-N 438.688 5.113 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@H]3C[C@H]3c3ccc(F)cc3)C2)CC1 1805296078 OBANPRLRRSOGIB-GOTSBHOMSA-N 440.603 5.153 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818165058 AOHUSBBRUWTQSU-GOSISDBHSA-N 438.915 5.205 30 20 IKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)n[nH]1 1823310967 NKSVGFNPCNXGQB-HNNXBMFYSA-N 441.746 5.252 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)c2cccs2)CC1 1824145018 PXYFZDMUCRNDRW-SIKLNZKXSA-N 428.642 5.240 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3nc(C)ccc3o2)CC1 1827274327 NDYAINYYWZITJA-QHCPKHFHSA-N 449.595 5.138 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3cc[nH]c23)CC1 1829066300 ALJWESLXHYEECF-HSZRJFAPSA-N 435.612 5.394 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3cccnc23)CC1 1829066640 OQMPTNLKEYNNRN-DEOSSOPVSA-N 447.623 5.461 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2)CC1 1830024628 OVTXCZMHVMAPRO-QHCPKHFHSA-N 429.004 5.342 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1 1831371909 OMKVLHRXAILFCE-XXBNENTESA-N 449.595 5.096 30 20 IKED C=C(C)CSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccc(OC(F)F)cc1 9501536 NFVGUHXKMFGVJI-UNOMPAQXSA-N 430.476 5.350 30 20 IKED Cc1cc(C)cc(N/C(S)=C(\C(=O)c2cc(C)sc2C)[n+]2ccc3c(c2)CCCC3)c1 10172681 JCVWBHIWVCGAHS-UHFFFAOYSA-O 449.665 6.199 30 20 IKED O=C(/C(=C(/S)Nc1cccc(C(F)(F)F)c1)[n+]1ccccc1)c1ccc(F)c(F)c1 11128648 TZBQHINCXDRIFV-UHFFFAOYSA-O 437.413 5.322 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)nnc1-c1ccc(Cl)cc1 36627085 FGCGDJPAOLKUGB-IRXDYDNUSA-N 441.000 5.185 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)c1C#N 58571524 FCAPJRJOLKEKKH-INIZCTEOSA-N 444.560 5.018 30 20 IKED CCCc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)c2cccs2)cc1 61967653 CZWYZYNUEFBRDZ-NRFANRHFSA-N 437.952 5.070 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 62905242 PAYIJEPIXFQDPZ-UHFFFAOYSA-N 426.476 5.108 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1ccccc1Sc1ncnc2sc(C)c(C)c12 64456914 JCTUQGUBFXRXEM-UHFFFAOYSA-N 446.557 5.592 30 20 IKED CCOC(=O)c1ccc(C#N)c(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1 115498020 JSQNAHSRKZBAPK-HSZRJFAPSA-N 441.512 5.328 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1 116683468 FDKQANJDAPXQKZ-UHFFFAOYSA-N 437.528 5.624 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cnn1Cc1ccccc1 302964100 QUYMBRHQHROULC-LJQANCHMSA-N 432.936 5.507 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(SC(F)F)c(OC)c2)c(Br)cc1O 302976527 JMLVPSNXMNANIO-HWKANZROSA-N 445.281 5.383 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CCSc1ccc(Br)cc1 303335304 XIFZEMMUTZHWKY-CQSZACIVSA-N 435.412 5.822 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(OCC2CC2)nc1 409711680 QEHFYKPAVRXXQS-UHFFFAOYSA-N 428.492 5.165 30 20 IKED Cc1nc2cc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)ccc2n1Cc1ccsc1 430641661 JEEAUDUIJAQSJZ-QGZVFWFLSA-N 434.590 5.699 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1ccccc1 433166920 LSINPWARLTZPSS-NRFANRHFSA-N 431.496 5.083 30 20 IKED COc1ccc([C@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)c2c[nH]c3ccccc23)cc1 435326625 JQIFZMQPIVUKNQ-DEOSSOPVSA-N 435.527 5.028 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c12 436345715 NIPVURZSUHVNGW-GGAORHGYSA-N 443.595 5.530 30 20 IKED CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccc(C)cc1 441601617 UKYFRRMLUCXTTA-NRFANRHFSA-N 431.467 5.004 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1ccc(OC(F)F)cc1)c1ccc(C(F)(F)F)cc1 442041806 DVGWJXHDFOCKEW-KRWDZBQOSA-N 442.384 5.069 30 20 IKED C[C@H](Oc1ccccc1C#N)c1nc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)no1 445371930 MMVZUCFLXDNYJY-KRWDZBQOSA-N 440.459 5.055 30 20 IKED C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2c(Cl)cc(Cl)cc2[C@H]1C 460766777 DLKZMUCIKHNIAF-HUUCEWRRSA-N 439.387 5.009 30 20 IKED N#Cc1ccc(-c2nnc(N3CCC[C@H]3c3ccccc3Cl)n2C[C@H]2CCCCO2)cc1 461737787 XDOFIBXPPPEBKM-OFNKIYASSA-N 447.970 5.381 30 20 IKED C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 462808647 DUEIWFVFBFOBDF-NBGIEHNGSA-N 441.600 5.101 30 20 IKED Cc1cc(=O)cc(C)n1CCCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 463967202 VQNBEFZEHBFLCB-UHFFFAOYSA-N 433.939 5.004 30 20 IKED Cc1noc(C(C)C)c1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 464281142 HMHKCIHZMKZJIG-UHFFFAOYSA-N 429.398 6.042 30 20 IKED C[C@@H]1CCN(C(=O)Nc2ncccc2OCCCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 466621246 XBZGDUJJYNMUBZ-BEFAXECRSA-N 432.446 5.398 30 20 IKED COCCc1ccccc1NC(=O)c1sc(-c2ccc(OCC(C)C)c(C#N)c2)nc1C 466635024 VRWDKWRXPFMCTR-UHFFFAOYSA-N 449.576 5.466 30 20 IKED C=CCOc1ccc(CN(C(=O)CCc2nc(-c3cccs3)no2)C(C)(C)C)cc1 467877681 VVAPDTZXKNPCJM-UHFFFAOYSA-N 425.554 5.123 30 20 IKED CCOc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 470067133 QUPAQBLRWOMBMP-XMMPIXPASA-N 435.568 5.297 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1CCOCc2ccccc21 470624676 LGDSVLRDLDWMKO-UHFFFAOYSA-N 447.560 5.202 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 471263478 SMHWCTSEFGEGKY-CQSZACIVSA-N 430.455 5.538 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCCC[C@H]2c2ncc(-c3ccccc3)[nH]2)c1 473220483 KRAGILFEUCHWQX-DEOSSOPVSA-N 428.536 5.251 30 20 IKED C[C@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)[C@@H](C)c1ccccc1 473547047 XSBOBVWTKFUNHU-MOPGFXCFSA-N 443.572 5.211 30 20 IKED COCCOc1cccc(CCC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 474928246 LNWOTVWTAWVSEC-HXUWFJFHSA-N 428.532 5.060 30 20 IKED N#Cc1cc(C(=O)Nc2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cc2)cnc1C(F)(F)F 476802670 ZACPZCZERPLUTJ-UHFFFAOYSA-N 443.335 5.046 30 20 IKED COc1cc(C#N)cc(Br)c1OCc1ccc(C(=O)Nc2ccccc2)cc1 479931173 NZGRRUQUTUDSJV-UHFFFAOYSA-N 437.293 5.161 30 20 IKED C[C@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@H](c2ccco2)C1 480280202 CUHZHFWIBZGPJM-JTSKRJEESA-N 428.492 5.409 30 20 IKED C[C@@H](Nc1ccc(NC(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)cc1)c1ccccc1 480966619 CWNWPAOFPGDOSR-QZTJIDSGSA-N 448.548 5.189 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)nnc1-c1ccccn1 481374708 NPEQTDUNKRFSBD-QFIPXVFZSA-N 441.560 5.307 30 20 IKED CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F 481490712 YXMCXHIZYBLSQF-INIZCTEOSA-N 438.343 5.212 30 20 IKED C=CCN1CCC(N[C@@H]2CCCc3nc(-c4ccc(Br)cc4)sc32)CC1 482633180 RMKCXIMQNRNNJV-GOSISDBHSA-N 432.431 5.190 30 20 IKED Cc1cc(-c2cc(C(=O)[C@H](C#N)c3cnc4ccccc4n3)c3c(C)noc3n2)c(C)s1 483238346 XACIZEAFWMIWPV-QGZVFWFLSA-N 439.500 5.310 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3cc(Cl)ccc3C(F)(F)F)CC2)c(F)c1 489939814 FDCJWVKDJAOTKO-UHFFFAOYSA-N 441.812 5.445 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)o1 490835145 QJSMBGRNPVADAU-IBGZPJMESA-N 428.410 5.196 30 20 IKED Fc1cccc(F)c1-n1ccc(CN[C@@H](c2ccccc2OC(F)F)C(F)(F)F)n1 491395045 IAPNDZNFSRDIEH-KRWDZBQOSA-N 433.327 5.145 30 20 IKED CC(C)[C@@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 497641162 GBDXGQTWHWGOJA-DEOSSOPVSA-N 427.504 5.145 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Br)cc3OC)n2)cc1 501312522 PUEBIHFIGRMUCG-MRXNPFEDSA-N 443.322 5.080 30 20 IKED CC1CCC(Oc2cc(CNC(=O)Nc3ccccc3SC[C@@H](C)C#N)ccn2)CC1 506901845 JNKKDYIPAPVYDE-FDYSRKEFSA-N 438.597 5.613 30 20 IKED C=CCn1c(-c2ccccn2)nnc1N1CCC(c2nc3cc(Cl)ccc3s2)CC1 508901034 DIMXAZHZWLAFDJ-UHFFFAOYSA-N 436.972 5.173 30 20 IKED C=CCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 508901804 HDLDFXWYEVNIKJ-CYBMUJFWSA-N 437.466 5.130 30 20 IKED CN(C(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCSc2ccc(Br)cc21 510035730 OJJWCNSUNGTBJA-MRXNPFEDSA-N 436.762 5.675 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@@H]3CCc3ccccc3)c2)c1 511529136 ASBFXDRGNGAQSE-RUZDIDTESA-N 438.531 5.440 30 20 IKED CN(CCCCc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511531603 ZZRWYXPUHAOWOW-UHFFFAOYSA-N 426.520 5.297 30 20 IKED N#C[C@@H](C(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1ccc(C(F)(F)F)cn1 513186536 KCLHEZCDPMIGPP-HXUWFJFHSA-N 436.389 5.916 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)s2)cc1 516521343 FPEJVAYHBIYKET-UHFFFAOYSA-N 445.466 5.204 30 20 IKED Cc1ccc(C)c(-c2csc(NC(=O)Cc3noc(-c4ccc(C#N)c(Cl)c4)n3)n2)c1 517261922 OELFNJAUXCOLDD-UHFFFAOYSA-N 449.923 5.183 30 20 IKED C=CCN(Cc1ccccc1)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 517743517 XDOJOHGHXMPKFV-UHFFFAOYSA-N 433.379 5.439 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(OC(F)(F)F)cc1 518151305 OLDNIPHWKKGEPV-UHFFFAOYSA-N 434.361 5.862 30 20 IKED COc1cccc(/C=C(/CC(=O)Nc2ccc(C#N)cn2)c2nc3ccccc3s2)c1 520316588 XFCBQTHEDXYARG-WQRHYEAKSA-N 426.501 5.141 30 20 IKED COc1ccc2oc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c(C)c2c1 521734512 QGDNWVUSRAJQQO-UHFFFAOYSA-N 434.439 6.027 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)cc2)c1 521800538 LRFPYFZEQFPYIK-OAQYLSRUSA-N 449.919 5.446 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(Oc3ccc(F)cc3)CC2)cc1 522466560 XIIRSBRKDISISQ-UHFFFAOYSA-N 431.467 5.565 30 20 IKED CC(C)n1c([C@H](C)NC(=O)c2cccc(COc3cccc(C#N)c3)c2)nc2ccccc21 522927372 SFKIVZWRBLXJMS-IBGZPJMESA-N 438.531 5.559 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1)C1CC1 523014399 QIORLIXVHDICQH-UHFFFAOYSA-N 440.503 5.505 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCSC[C@H]2c2ccccc2)cc1 523768430 QLWMFUMFLOEPJZ-VWLOTQADSA-N 443.572 5.654 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 524033181 IIDRNLVOZOOYEC-MRXNPFEDSA-N 436.924 5.359 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cnc(-c2ccccn2)s1 524243971 AEGRAASQCQFVES-UHFFFAOYSA-N 428.492 5.371 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-n2cnc3ccccc32)cc1 524451792 IRUUUNGKAFWEGP-UHFFFAOYSA-N 445.482 5.645 30 20 IKED C=CCn1c(S[C@H](C)c2ncc(-c3ccccc3)o2)nnc1[C@H]1COc2ccccc2O1 524915944 XTHUVHDTDCXPJK-IIBYNOLFSA-N 446.532 5.485 30 20 IKED CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1 525541275 LISFQQPJPFTLJO-UHFFFAOYSA-N 443.572 5.252 30 20 IKED CN(CC(=O)Nc1ccccc1SCC#N)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 537367002 BKRDODGBCSBPDH-ICSRJNTNSA-N 447.526 5.528 30 20 IKED FC(F)(F)c1cc(CNCc2nnc3ccc(C(F)(F)F)cn23)cc(C(F)(F)F)c1 537509145 IVQCEDCVVCOFIB-UHFFFAOYSA-N 442.285 5.076 30 20 IKED Cc1nn(C)c(C)c1CCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 538204623 IIWXCQFMGXMYBO-QFIPXVFZSA-N 435.959 5.100 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 540308109 MOYVSJNFYLJCPO-FGZHOGPDSA-N 429.923 5.049 30 20 IKED CCOc1ccc(F)c(NC(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c1F 540978331 RNZJRTXTKFDAHR-OAHLLOKOSA-N 440.315 5.390 30 20 IKED C[C@H](N[C@H](C)C(=O)Nc1ccccc1OC(F)F)c1ccc(-c2cccc(C#N)c2)cc1 541075823 QDIUMXLZSSQUIZ-DLBZAZTESA-N 435.474 5.504 30 20 IKED Cc1ccnc(OC2CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)c1 542072864 LHXHKSLCWFZLLM-UHFFFAOYSA-N 443.572 5.238 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 542952073 OXQUXAVMZISFHB-PMACEKPBSA-N 439.437 5.581 30 20 IKED COc1ccc(C(=O)C[C@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 544391389 OLJJZBMCLZPPTL-IBGZPJMESA-N 442.515 5.188 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccn(C)n1 547283160 ZRCLVYVKHBEGEZ-VFNWGFHPSA-N 439.972 5.236 30 20 IKED C=C(C)Cn1c(C2CCCC2)nnc1N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 549684852 SMYGEMNYMFCGAR-NRFANRHFSA-N 439.991 5.118 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccncc1OCc1ccccc1 554446224 HVQUMHSCCGYCFW-SFHVURJKSA-N 432.549 5.377 30 20 IKED CC1(c2nc(Cc3cccc4cccnc34)no2)CCN(c2ccc(Cl)cc2C#N)CC1 568521073 DLZNZHMUTNYBNV-UHFFFAOYSA-N 443.938 5.292 30 20 IKED Cc1cccc([C@@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c2ccccn2)c1 571212438 LXQLUAHDGDLHIH-RUZDIDTESA-N 435.487 5.360 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCc2cccc(F)c2[C@H]1C 573296935 XSRQDIHPAPENIG-ZHRMCQFGSA-N 432.543 5.362 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@]2(CO)C[C@H]2c2ccccc2)cc1Cl 582575433 YOQJNSJZLIUIEX-UMFSSWHCSA-N 445.950 5.283 30 20 IKED Cc1ccccc1-c1cc(C(=O)N[C@H](C#N)c2ccc(F)cc2)c2cnn(C(C)C)c2n1 590639243 ASCWMYYXVMRLRD-HSZRJFAPSA-N 427.483 5.121 30 20 IKED C=CCn1c(SCC(=O)NCC(CC)CC)nnc1-c1ccc(Cl)cc1Cl 591290041 ZKQOLXCTDBDYAL-UHFFFAOYSA-N 427.401 5.082 30 20 IKED Cc1noc(C)c1CSCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604027049 ZLCKFRRXHFVCAD-UHFFFAOYSA-N 427.913 5.481 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C 604358269 MGCVDNHSNMIIMN-UHFFFAOYSA-N 426.451 5.545 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3nc4cc(Cl)ccc4s3)cn2)c1 604443973 GLKMKHJPIXMQAT-UHFFFAOYSA-N 435.896 5.330 30 20 IKED C=CCn1c(SCC2(C)COC2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 605364233 DXMUHKRVJOCAKY-UHFFFAOYSA-N 442.588 5.783 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCCc2nc3c(s2)CCCC3)cc1 608908733 UZOIARRBIHONJT-UHFFFAOYSA-N 447.629 5.548 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn(-c2ccccc2)c1C1CC1 609061644 RNQZKOKCCFRDNN-UHFFFAOYSA-N 448.526 5.761 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]1Cc1ccc(F)cc1 609078973 GDISCXNRDHUUSA-DEOSSOPVSA-N 443.522 5.824 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](COCC(C)C)c1ccco1 609079923 NVIOABRRGMBOKX-DEOSSOPVSA-N 447.535 5.574 30 20 IKED Cc1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1NC(=O)c1ccco1 609175894 MKACGMCREZHGJJ-UHFFFAOYSA-N 437.455 5.757 30 20 IKED COc1cc(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)ccc1OC1CCCC1 609508620 UFNHMMXZLZAHJX-UHFFFAOYSA-N 434.536 5.008 30 20 IKED Cc1ccc([C@@H](C)CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 610029908 BGBAQQUWQVVBGE-KRWDZBQOSA-N 447.922 5.171 30 20 IKED C[C@@H](CC(=O)N[C@H](C#N)c1ccccc1Br)c1ccccc1C(F)(F)F 610197858 ASHLWLOCKFXBIM-YVEFUNNKSA-N 425.248 5.343 30 20 IKED COc1cc(CN[C@H](C)c2cccc(C#N)c2)ccc1OCC(=O)Nc1ccccc1Cl 610344606 AGUDMYAYSFZXJG-QGZVFWFLSA-N 449.938 5.089 30 20 IKED C[C@H](NC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1)c1cccc(C#N)c1 610357951 WQDBBUTZPSFOFJ-SFHVURJKSA-N 439.519 5.031 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3ccc(C#N)cc3Br)o2)cc1 611492017 DLLHDIZYCMWBEQ-UHFFFAOYSA-N 428.311 5.228 30 20 IKED CCC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 613344233 BYEMSGWXBRFXMK-INIZCTEOSA-N 444.343 5.955 30 20 IKED N#C[C@H](C(=O)c1cc2ccccc2nc1O)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346099 CPEIAXQHCVWPML-OAHLLOKOSA-N 440.311 5.861 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)nnc1-c1ccoc1C 613908188 QNUPPRWTIPEDCY-HNNXBMFYSA-N 436.537 5.090 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1CCCOc2c(F)cccc21 679313302 YWSYPLRWSROZLP-UEKVPHQBSA-N 442.375 5.248 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3c(C)cc(C)cc3C)o2)cc1 728442352 QPXRIKIOOVKLEU-LJQANCHMSA-N 434.565 5.398 30 20 IKED COc1ccccc1-c1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)n[nH]1 729528758 IEDUXTMRNWCEPI-UHFFFAOYSA-N 440.528 5.502 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12)c1nc(O)c2c3c(sc2n1)CCCC3 730918215 WPFQCPSVOGOACG-XUVXKRRUSA-N 439.540 5.409 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc2ccccc2c(Cl)n1 730994277 IOAHQLGDICMYAO-UHFFFAOYSA-N 435.858 6.165 30 20 IKED C#Cc1cccc(NC(=S)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)c1 731570628 YYQAUFZNLZBFEZ-XMMPIXPASA-N 425.557 5.454 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)/C(=C\c3ccco3)NC(=O)c3ccccc3)c2)cc1 732957453 GLZMHIMYQIHAKD-KOEQRZSOSA-N 449.466 5.353 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Cc2cccc(OCc3ccccc3C)c2)c1 733772724 GCECUXHOLIYYPU-DEOSSOPVSA-N 428.532 5.114 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(COc3ccc(C)nc3)c2)cc1 734080031 HUFYMVPXAZQZAC-BVZFJXPGSA-N 441.531 5.444 30 20 IKED C=CCN(C(=O)Cc1cc(-c2ccccc2)on1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 735990935 KBKKRKQYADPROP-UHFFFAOYSA-N 446.488 5.135 30 20 IKED CCOC(=O)N1[C@H](C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC[C@@H]1c1ccc(C)o1 736480064 VOFUPLVHFIZBPV-IPELMVKDSA-N 441.553 5.141 30 20 IKED COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)c1ccccc1OCC#N 741994056 WPEIHSGSYGPJDA-UHFFFAOYSA-N 436.851 5.074 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/CCc3cc(C#N)ccc3C2=O)cs1 742437760 QVPVMJWLECJXHN-BOPFTXTBSA-N 433.920 5.565 30 20 IKED Cc1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1NC(=O)OC(C)(C)C 742651859 YAJZMRKCSUAGKN-QGZVFWFLSA-N 434.323 5.644 30 20 IKED N#C[C@H](C(=O)CCCOc1cccc(Cl)c1Cl)C(=O)Nc1ccc(Cl)cc1 743449775 UOTBBSSESWAXMI-CQSZACIVSA-N 425.699 5.153 30 20 IKED C[C@H](CCc1ccccc1F)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 744027810 DUFBITHIFBVCOX-WIYYLYMNSA-N 430.479 5.534 30 20 IKED Cc1c(Br)cccc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 744028618 MEJNARUOIQVRLK-SFHVURJKSA-N 449.304 5.511 30 20 IKED C[C@@H](Oc1cccc(Br)c1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 744034527 AJGMXGNBLXAQCJ-YGRLFVJLSA-N 435.730 5.356 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1NC(=O)OC(C)(C)C 744038427 UOVXLUMFNUJAJF-OAHLLOKOSA-N 440.450 5.577 30 20 IKED COc1ccc(CCNC(=S)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1 745724546 TUASDUAEYZOUKX-UHFFFAOYSA-N 433.552 5.138 30 20 IKED O=C(/C=C/c1ncc(-c2ccc(Br)cc2)[nH]1)c1ccc(-c2ccncc2)cc1 745989799 AEGHARHNLWVGHT-MDZDMXLPSA-N 430.305 5.797 30 20 IKED C[C@@H](c1cccs1)N(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)Cc1ccccc1 746156384 JZMNUFFXGHAIMA-RXVVDRJESA-N 438.556 5.549 30 20 IKED COc1ccc(CNC(=O)N(C)[C@H](C)c2ccc(-c3ccccc3OC)cc2)cc1C#N 746785548 QECBYEOZZBGZRQ-GOSISDBHSA-N 429.520 5.145 30 20 IKED CCCOc1c(Cl)cc(C=NO[C@H](C)c2nnc(-c3ccccc3)o2)cc1OCC 748097703 OYALKHATTJATPE-OAHLLOKOSA-N 429.904 5.689 30 20 IKED O=C(OCCC(F)(F)F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 748135330 FGNHMXPAHDVGIY-LNRGQDRPSA-N 426.319 5.604 30 20 IKED N#Cc1ccc(/C=C2/CC(C#N)(c3ccccc3)C/C(=C\c3ccc(C#N)s3)C2=O)s1 748997809 HOGYEGXNAVZPBY-ICFDZUSXSA-N 437.549 5.844 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1 753203505 OKTXONOUNQMDOA-UHFFFAOYSA-N 432.238 5.474 30 20 IKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1nc(Cl)ccc1F 758230207 MITQBNNLZMYORI-UHFFFAOYSA-N 446.706 5.009 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C/c3ncccc3C(F)(F)F)SC2=S)cc1Cl 765513681 QKFGEQPFRPOBNY-AUWJEWJLSA-N 425.844 5.031 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)OCc2cccc(Cl)c2Cl)CC1 773391071 LXRMATOMJTUFGD-UHFFFAOYSA-N 446.290 5.073 30 20 IKED C=C(C)[C@@H](N[C@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C)c1ccc(F)c(F)c1 775559178 WLQAHVFNQHRIEX-OPAMFIHVSA-N 431.527 5.661 30 20 IKED Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)N=C2SCCCCC#N)cc1 776232927 YPUBDIHVLGIYPU-ZHZULCJRSA-N 444.387 6.473 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C 776838397 ZAMSXTXVVBEPAO-MRXNPFEDSA-N 437.565 5.488 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 780149405 IHZNQASGKKUNBE-MRXNPFEDSA-N 427.435 5.691 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](c2ccc(Cl)cc2F)C(C)C)ccc1OC 781937232 OTZDOOWFSAJNJG-VGSWGCGISA-N 447.938 5.365 30 20 IKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccsc1 790739097 XJLYZSDUSADJKZ-CQSZACIVSA-N 440.377 5.201 30 20 IKED COc1cc(CNc2ccc(OC(F)(F)F)c(C#N)c2)ccc1OCc1c(C)noc1C 799346970 LUZXCCZROCWPOP-UHFFFAOYSA-N 447.413 5.261 30 20 IKED C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 800777124 SPTDPUHMWADNIA-QHCPKHFHSA-N 447.970 5.216 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2c(F)cccc2Cl)cs1)c1ccc(F)cc1F 809159725 VKPJFQMXSVTLCV-VURMDHGXSA-N 436.842 5.795 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)Nc3ccc(C#N)cc3Cl)C2)C1 814671295 YGKUAGHQHUWTFI-ROUUACIJSA-N 446.979 5.103 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccsc3)N(CC[C@@H](C)F)C2=O)c1 814711728 UHZYEOGNRLCXPA-QAPCUYQASA-N 433.574 5.073 30 20 IKED CCCc1c(N[C@H](C)c2ccc(N3CCCOC3=O)cc2)cnn1-c1cccc(C#N)c1 815619617 SKPPRGWGRJMFJU-GOSISDBHSA-N 429.524 5.216 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCC(=O)CCC(=O)c2cccs2)cc1 915086011 QVGYZQAKFCMYNZ-QFIPXVFZSA-N 430.529 5.354 30 20 IKED CC(C)c1noc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1 915101743 HUJFDSXXUFMJSS-ZDUSSCGKSA-N 435.336 5.432 30 20 IKED Cc1sc2nc(CS[C@H](C)C(=O)[C@@H](C#N)c3ccc4ccccc4n3)nc(O)c2c1C 916848642 FZWGGKCPVSAESQ-ZBFHGGJFSA-N 448.573 5.060 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cccc(NC(=O)c2cccs2)c1 916903106 LENYAKLDDVIMPY-HXUWFJFHSA-N 445.544 5.086 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)c(C)n1[C@@H](C)c1ccccc1 916918405 ORYYISZIAAUBLI-UQBPGWFLSA-N 435.527 5.829 30 20 IKED Fc1cc(-c2cccs2)ccc1C=Nn1cnnc1SCc1ccc(Cl)cc1 917542543 GARYJTSROJDOBC-UHFFFAOYSA-N 428.945 5.974 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1sc(-c2ccccc2)cc1C#N 917711523 BYFYQPIINUYSKG-UHFFFAOYSA-N 432.936 5.746 30 20 IKED CSc1ccc2cc(COC(=O)CCc3c(C)nn(CCC#N)c3C)c(Cl)nc2c1 919251100 NTQUMNCRHZWMAW-UHFFFAOYSA-N 442.972 5.013 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Oc2ccc(C#N)cc2)c(OC)c1 920017592 GOEWPKYXIAPQRI-UHFFFAOYSA-N 426.472 5.262 30 20 IKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)cn1 1787300484 RPGANYQQFJFHMB-SFHVURJKSA-N 438.531 5.079 30 20 IKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)C3=C(C)OCC3)cc2)CCC1)c1ccccc1 1788327040 OYGFMBCWAMVDOR-VWLOTQADSA-N 442.559 5.012 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc4cnccc4n3)cc2)CCC1 1788960443 RNUCVUZDFKTYGE-UHFFFAOYSA-N 442.563 5.370 30 20 IKED Cc1c[nH]cc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792123470 CUQOYMICBOIWPD-KRWDZBQOSA-N 426.520 5.012 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cccc(F)c3s1)C2 1792572179 HUJZFTZHQYMMQW-BCDXTJNWSA-N 428.573 5.285 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(N(C)C)c3ccccc13)C2 1798592876 NYZRKOMWTARBIP-WKCHPHFGSA-N 447.623 5.150 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2csc(C)c2C)[C@H]1c1cccnc1 1806045556 AQOHLPOAIKPVIW-RBBKRZOGSA-N 439.625 5.072 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3ccoc3c2)[nH]n1 1819308964 JCBHXGZPWHCPHJ-TZIWHRDSSA-N 432.524 5.230 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C(F)(F)F)CCC2)CC1 1826761254 IIHYBAYKAXVNBF-PMACEKPBSA-N 440.550 5.107 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(-c3ccccc3)n2)CC1 1827763023 GGZBYMYUNXYAMF-HFZDXXHNSA-N 445.607 5.194 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3cnccc23)CC1 1829066602 LPXLGLLKKVIJKH-RUZDIDTESA-N 447.623 5.461 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)CC1 1831373330 CKBTXHBKPAHVGZ-RDPSFJRHSA-N 440.628 5.309 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2oc3ccccc3c2C)CC1 1831446134 URFSBEGZUCFIQV-FQEVSTJZSA-N 444.522 5.186 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccc(C)c(C)c2)cc1 11163430 ZQBMOEPYAVOKTP-UHFFFAOYSA-O 431.625 6.328 30 20 IKED O=C(/C(=C(\S)Nc1ccccc1F)[n+]1cccc(O)c1)c1ccc(-c2ccccc2)cc1 11169425 BWSIPODTDXYLOM-UHFFFAOYSA-O 443.523 5.537 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Oc2ccc(C#N)cc2OC)cc1 15623267 RFYXXUOCWWZCOF-UHFFFAOYSA-N 426.472 5.262 30 20 IKED C[C@H](NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)N(CCC#N)c1ccccc1 28799955 YAPPHAYYLCDPLF-OFVILXPXSA-N 436.559 5.225 30 20 IKED C=CCN(C(=O)Cc1coc(-c2ccccc2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 57650695 GPPGGTDRNQBEMO-UHFFFAOYSA-N 446.488 5.135 30 20 IKED N#Cc1ccnc(N2CCN(C(=O)Nc3ccc(Sc4ccc(Cl)cc4)cc3)CC2)c1 57766302 KKFWZYRMNIXTFF-UHFFFAOYSA-N 449.967 5.112 30 20 IKED C=CCN(C(=O)CCCOc1ccccc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 58041187 IUULRZSEAADCHK-UHFFFAOYSA-N 441.484 5.236 30 20 IKED CN(C)C(=O)c1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)ccc1Cl 58788166 CASJLAJCVNTMJF-UHFFFAOYSA-N 435.936 5.317 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccnc1Oc1ccc(Br)cc1 62905932 OBQOAKPFBWNFPB-UHFFFAOYSA-N 448.320 5.336 30 20 IKED COc1ccc(Br)cc1-c1nc(CN(CCC#N)Cc2ccco2)cs1 96970549 YMAXNIDAOIPSDT-UHFFFAOYSA-N 432.343 5.090 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2cc(Cl)ccc2Cl)[n+]2cccc(C)c2)c(C)c1 98069599 DWNUFIGQZTYXEP-UHFFFAOYSA-O 444.407 6.257 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)CNC(=O)c1sc2ccccc2c1Cl 216336972 HUKIHLVIRTUQTK-UHFFFAOYSA-N 439.389 5.214 30 20 IKED C=CCOc1ccc(CN[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1Cl 237474310 KTOLHVAWWFBDSL-XMMPIXPASA-N 441.980 5.188 30 20 IKED CC[C@H](C#N)Oc1cccc(CNc2cnn(-c3ccc(C)c(Cl)c3)c(=O)c2Cl)c1 301255210 FJTUAPYYTOZLHB-QGZVFWFLSA-N 443.334 5.141 30 20 IKED C=C(C)COc1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c1 303145718 FGECITBUQVOZJR-UHFFFAOYSA-N 436.533 5.003 30 20 IKED COc1ccccc1C[C@@H](C)CC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 409803366 BSCFZSJVEPJQJE-GOSISDBHSA-N 427.504 5.027 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC(c3ncccc3Cl)CC2)cc1 429255683 IGXDOFQAFXCVIS-UHFFFAOYSA-N 431.923 5.205 30 20 IKED CN(C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[C@H](c1ccccc1)c1ncc[nH]1 432991537 FZLIDRYTDVFPGW-HSZRJFAPSA-N 441.466 5.466 30 20 IKED N#CCCC[C@H](NC(=O)Nc1cc(Br)ccc1-n1cccn1)c1ccccc1 433123025 XRROLVQZKRNLOF-SFHVURJKSA-N 438.329 5.191 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C)c1ccccc1 435747545 JEKLJOURNBURDB-DEOSSOPVSA-N 441.531 5.010 30 20 IKED COc1ccc(CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1OC(F)F 436403628 BAEWKHFUPRYHOV-CQSZACIVSA-N 443.334 6.099 30 20 IKED CC(C)N(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 437059247 QHRUXZIPQSBISY-UHFFFAOYSA-N 449.457 5.004 30 20 IKED C[C@H](NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc(OC(F)F)cc1OC(F)F 437103117 YQUBNFVAGWZPNY-RVPKQNPDSA-N 433.364 5.024 30 20 IKED CCCCOc1ccc(NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c(C)c1 437260413 VPUAZCCUXSIFAA-INIZCTEOSA-N 425.554 5.003 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 437831345 AYKTZJJFMMHLJF-KCZVDYSFSA-N 439.943 5.201 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC2CCN(c3ccccc3)CC2)cc1F 438650038 PKJUOMGVUUAWFN-UHFFFAOYSA-N 430.483 5.280 30 20 IKED COc1cc(CC2CN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)C2)cc(OC)c1 438655620 MYXIPPZDYWARNH-UHFFFAOYSA-N 443.503 5.074 30 20 IKED C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)Nc2cc(C#N)ccc2Cl)cc1 442096052 ZYFBTTOXDVTEIK-HNNXBMFYSA-N 435.936 5.642 30 20 IKED CC(=O)c1ccc(-c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)no2)c(F)c1 445814261 UGFFHXGNOAMXQI-UHFFFAOYSA-N 449.282 5.100 30 20 IKED C=CC[C@H]1N(C(=O)c2c[nH]c3c(Cl)cc(Br)cc3c2=O)CCCC1(C)C 447620708 QLDKVSFJMLAFEO-MRXNPFEDSA-N 437.765 5.151 30 20 IKED Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)COc1ccc(C#N)cc1 460251515 MAEQFPPAXZVVHY-UHFFFAOYSA-N 442.494 5.621 30 20 IKED COc1cccc([C@@H](Cc2cc(C)cc(C)c2)N[C@@H](C)C(=O)Nc2ccccc2C#N)c1 463922231 QGKBMORVYKIWBZ-RXFWQSSRSA-N 427.548 5.084 30 20 IKED N#Cc1c(NC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)sc2c1CCC2 468548727 QXSFBHLOQIJWSG-UHFFFAOYSA-N 434.304 5.235 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C 471207063 IRRXWEQOTWMUJF-UHFFFAOYSA-N 428.536 6.249 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4nc(C(F)(F)F)cn4c3)n2)cc1 473489875 RGHIUZURTNCHRB-HNNXBMFYSA-N 426.423 5.275 30 20 IKED N#CCSc1cccc(C(=O)N2CCC(COc3ccccc3C(F)(F)F)CC2)c1 475866031 FDQQNXKESVMFAT-UHFFFAOYSA-N 434.483 5.252 30 20 IKED N#CC[C@@H](CC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 476337739 QIXXQKHTBBKDQA-IBGZPJMESA-N 431.363 5.589 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)c3ccc(-c4ccccc4C(F)(F)F)o3)CCO2)c1 476342306 USCUMJJSXJRVBI-OAQYLSRUSA-N 426.394 5.051 30 20 IKED N#CCSc1cccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c1 476922830 CDFMDSSDOUQRLW-UHFFFAOYSA-N 430.352 5.441 30 20 IKED C=C(C)[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(F)c(F)c1 477666790 MRWOVCKQWYBDHF-QHCPKHFHSA-N 447.441 5.001 30 20 IKED N#Cc1cc(NC(=O)c2ccccc2SCc2cscn2)ccc1OCC(F)(F)F 481833047 XDJMJSLSZYMXOY-UHFFFAOYSA-N 449.479 5.500 30 20 IKED C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)COc1cc(Cl)cc(C#N)c1 487420666 NAARMUTUUMEHBU-QGZVFWFLSA-N 447.922 5.062 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(COc2c(C#N)cnc3ccc(C)cc23)cs1 488304311 XPJACOVIHTZZSY-UHFFFAOYSA-N 428.517 5.443 30 20 IKED CC(C)(C#N)c1ccccc1CSc1nnc(-c2cnccn2)n1-c1ccc(Cl)cc1 488882168 UTXQFOQXYCISRH-UHFFFAOYSA-N 446.967 5.471 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(Oc4cccc(F)c4F)nc3)CC2)cc1 489225296 ZGULWBMIURGEPY-UHFFFAOYSA-N 432.430 5.345 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)nnc1-c1cccs1 489402139 LTRDQTVIQCTXBZ-AWEZNQCLSA-N 433.002 5.158 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NCCCC1(C#N)CCOCC1 499627646 SRCIFAQYRSLJDY-OAHLLOKOSA-N 448.430 5.632 30 20 IKED CCc1nc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)nn1-c1c(Cl)cccc1Cl 501372513 FUPYAFDXWIHSRG-LLVKDONJSA-N 442.331 5.236 30 20 IKED CO[C@@H](C)C(=O)Nc1cccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 502618122 IUJURCBKKSAPPI-KRWDZBQOSA-N 444.491 5.276 30 20 IKED CCSc1ccc([C@@H](C)NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1 505118122 BWVCXOHKKRNQRD-LJQANCHMSA-N 432.593 5.684 30 20 IKED CCCSc1ccc([N+](=O)[O-])cc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 505423706 VYFPDACVCMNZLW-AWEZNQCLSA-N 430.436 5.332 30 20 IKED N#C[C@@H](NC(=O)c1oc2ccccc2c1CSc1ncccn1)c1ccccc1Cl 505631432 IDBUUGJITCDJRX-GOSISDBHSA-N 434.908 5.163 30 20 IKED N#C[C@H](NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1ccc(Cl)cc1 505815536 NNKFDAFPPKTMJH-NRFANRHFSA-N 437.952 5.358 30 20 IKED Cc1ccc(-c2noc(CCC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)n2)cc1F 507921216 PLNLRFZUHTVHDF-UHFFFAOYSA-N 442.450 5.419 30 20 IKED C=CCn1c(Cc2ccc3ccccc3c2)nnc1N(C)Cc1nc([C@H](C)SCC)no1 508507393 HQGKNDDSOQDLQW-KRWDZBQOSA-N 448.596 5.042 30 20 IKED Cc1sc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc(Cl)cc2)c(C#N)c1C 508926003 URGQUFVZCGWPBM-VDGAXYAQSA-N 441.984 5.302 30 20 IKED CCN(C(=O)Cc1ccc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1)c1ccccc1 511045758 FIERVXMCMOOKRB-LJQANCHMSA-N 426.520 5.037 30 20 IKED CCOC(=O)C1CCC(N(CC)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 511968093 CUDNXNQQLFTTNV-UHFFFAOYSA-N 438.499 5.074 30 20 IKED C=C(C)CN1CCC(NC(=O)[C@@H](Oc2cccc(Cl)c2Cl)c2ccccc2)CC1 517355027 GYXOYYZTSNLLRY-QFIPXVFZSA-N 433.379 5.270 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C 517779520 NWASKQGCQNRAQT-UHFFFAOYSA-N 426.520 5.562 30 20 IKED C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 518722864 SXSSUQOPGKYNKR-MRXNPFEDSA-N 449.605 5.535 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NC2CCN(c3ccccc3)CC2)c1 522586368 KZDCZLCKHNUROR-UHFFFAOYSA-N 431.923 5.403 30 20 IKED N#C[C@H](NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1cccc(Cl)c1Cl 523149377 CTRHYNHDXCYJGQ-INIZCTEOSA-N 439.224 5.193 30 20 IKED CC(C)(C)[C@H]1CCCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1 523929277 QGVAWNVSVKCVQR-KRWDZBQOSA-N 429.615 5.382 30 20 IKED CC[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 524913090 BLDWWBVWFRKILQ-NVXWUHKLSA-N 425.916 5.027 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1 525454420 AVAXKHKVHOLNGN-UHFFFAOYSA-N 429.520 5.476 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](c3ccccc3C)[C@H]3CCC[C@@H](C)C3)CC2)o1 526004442 YILXEMLDDDTUCN-GQOCTPOGSA-N 434.584 5.063 30 20 IKED Cc1ccc(CNCc2cccc(OCc3cccc(C#N)c3)c2)c(OC[C@H]2CCOC2)c1 532289168 YTQMQJGTRGSXOH-VWLOTQADSA-N 442.559 5.151 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H](C)c1cccc(C(F)(F)F)c1 532489806 MEGTZYIKGBJWJX-JKSUJKDBSA-N 435.515 5.589 30 20 IKED C=C(C)COc1cc(CNc2cccc(C[S@](=O)C3CCCCC3)c2)ccc1OC 533219247 AGUYSBCPOLPXPA-PMERELPUSA-N 427.610 5.844 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c1C 535621287 PGNVJYDBNZJDHI-IBGZPJMESA-N 448.526 5.334 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 538262825 JUXNPXBVYRUWJR-UPVQGACJSA-N 448.975 5.764 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)[C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)n2)cc1 538402803 MFJIWKIOOWSKEL-BEFAXECRSA-N 427.888 5.191 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 539426789 SEFZZGFTBQWIRY-SIKLNZKXSA-N 432.911 5.203 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 543878577 HAQMSXIUAAXMSF-CQSZACIVSA-N 439.315 5.573 30 20 IKED CC(C)NC(=O)Nc1ccc(-c2noc(/C=C/c3cn(CCC#N)c4ccccc34)n2)cc1 544900274 PJKZLXVTBPSZHU-JLHYYAGUSA-N 440.507 5.305 30 20 IKED N#Cc1cc(C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)cnc1C(F)(F)F 550412629 MNZJHNYBBOBZEI-UHFFFAOYSA-N 442.397 5.640 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)s2)cc1 553962592 YHDCHJKNIFNIQP-SFHVURJKSA-N 445.466 5.531 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 554435526 OGZVLMVGYWNKNN-UHFFFAOYSA-N 445.567 5.004 30 20 IKED COc1ccc(OCc2nc(CNc3ccc(Oc4ccnc(C#N)c4)cc3)cs2)cc1 589324445 OTHLDVCQIYHOOP-UHFFFAOYSA-N 444.516 5.402 30 20 IKED Cc1oc(NC(=O)[C@@H](C)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c(C#N)c1C 598930252 NXWXXDQAXMSDHN-CYBMUJFWSA-N 442.972 5.238 30 20 IKED CC(C)C[C@@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1cccs1 604084932 LMIXQVBFNTXIHO-MRXNPFEDSA-N 443.623 5.672 30 20 IKED COCCN(Cc1ccccn1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604090391 XOCGHWSXQNATTD-UHFFFAOYSA-N 436.899 5.079 30 20 IKED N#C[C@H](C(=O)c1csc(Nc2ccccn2)n1)c1nc(-c2ccc(Cl)cc2)cs1 606146831 QAXXAKKVUQYVLC-CQSZACIVSA-N 437.937 5.549 30 20 IKED CC(C)(C)Cc1nc(-c2cccc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c2)no1 608552988 GHRBPAJLXZYHLL-MRXNPFEDSA-N 434.496 5.564 30 20 IKED CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 609060788 DYCSUSVBGVWPIV-UHFFFAOYSA-N 433.489 5.328 30 20 IKED COc1ccc(OC)c([C@@H]2CCCN2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 609209051 USCGKKULHVTLQT-DEOSSOPVSA-N 443.503 5.737 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2ccccc2-c2nc3ccccc3s2)c1 609497485 ZZFWDFYDXXZPPQ-UHFFFAOYSA-N 427.529 6.023 30 20 IKED Cc1nc(-c2ccc(CCNC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)s2)cs1 609514112 AGCJQASZTWTYSP-UHFFFAOYSA-N 446.557 5.212 30 20 IKED C[C@H]1CCCCN1C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 609845230 FPHULTVUQOTPEU-UNMCSNQZSA-N 432.568 5.469 30 20 IKED COc1cc(N(C)C(=O)c2ccccc2Sc2ccccc2C#N)cc(OC)c1OC 610185711 PGKOJMCAXCISJG-UHFFFAOYSA-N 434.517 5.012 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 612314476 DBPRDCMBPSKVCJ-LJQANCHMSA-N 425.454 5.127 30 20 IKED Cc1cccc(COc2cccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c2)c1 613401561 FLXULDMWSRMSSE-FQEVSTJZSA-N 431.442 5.809 30 20 IKED N#Cc1ccc(N2CCC[C@H]2c2nc(-c3ccc(COCC(F)(F)F)cc3)no2)cc1 615131383 NZPDAWOAYOCCPY-IBGZPJMESA-N 428.414 5.029 30 20 IKED O=C(c1ccc(COc2ccc(F)cc2)o1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618297177 DDXYKBJWDTYQNK-RYUDHWBXSA-N 439.327 5.201 30 20 IKED CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 618852162 SGUVICAINBOHRG-DEOSSOPVSA-N 446.526 5.394 30 20 IKED N#C[C@@H](C(=O)c1ccc([C@@H]2CCCOC2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 679537711 IWVVEBWCYRWMAL-WBVHZDCISA-N 430.451 5.699 30 20 IKED N#C[C@@H](C(=O)c1cc(F)ccc1-n1cccn1)c1nc2cc(C(F)(F)F)ccc2s1 684631954 ZUAFFYZQHJSMNJ-AWEZNQCLSA-N 430.386 5.130 30 20 IKED N#C[C@@H](C(=O)Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(C(F)(F)F)ccc2s1 727954363 OXGUDUFHKBOGPK-AWEZNQCLSA-N 433.842 5.869 30 20 IKED C[C@H](NC(=O)CNc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccs1 728051998 XKKNNTMKEBFXHD-HNNXBMFYSA-N 425.941 5.141 30 20 IKED COc1ccc(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 728061980 FHGOCZSXOPFZPZ-INIZCTEOSA-N 435.911 5.238 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1CC1 728913758 HHVGVLHOZUELDJ-KDOFPFPSSA-N 443.494 5.717 30 20 IKED N#C[C@@H](C(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc2ccccc2n1 729889911 FSYSQYBYRFQMFE-CQSZACIVSA-N 441.737 6.355 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@@H](Sc2ccccc2F)c2ccccc2)n1 730071765 CGWUGHHQZIQFLH-YWZLYKJASA-N 440.521 5.169 30 20 IKED CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 730141967 VETUAGKBTVZANI-CVDCTZTESA-N 448.567 5.111 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCCc3sccc3C2)c1=S 730453736 AWNKBKJJMBWWQW-UHFFFAOYSA-N 447.029 5.300 30 20 IKED N#C[C@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1nc2ccccc2s1 730686829 QPFOQCBETUBFMF-GFCCVEGCSA-N 431.464 5.734 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)ccc1F 730687047 LHLPHVKCCZIMOW-GOSISDBHSA-N 447.466 5.287 30 20 IKED COc1cc2c(cc1NC(=O)CNc1ccccc1SCCC#N)oc1ccccc12 731028037 FUPIRYQWDKCHSO-UHFFFAOYSA-N 431.517 5.651 30 20 IKED C#Cc1cccc(N(CC(=O)N[C@H](c2ccccc2)c2nccs2)Cc2cccs2)c1 731029721 DRKZRTJLWJLJHW-XMMPIXPASA-N 443.597 5.098 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 731114167 IETKDQXBJAYWBD-IRXDYDNUSA-N 446.617 5.095 30 20 IKED C[C@H](OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc(O)c2ccccc2n1 732377460 NDMQRUMEAQLIAB-INIZCTEOSA-N 425.444 5.112 30 20 IKED CN(C)C(=O)Sc1ccccc1NC(=O)c1cccc(COc2ccccc2C#N)c1 734102005 ABROEAZITBUKJQ-UHFFFAOYSA-N 431.517 5.163 30 20 IKED C=CC[C@@H](NC(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12)c1ccncc1 734652099 FIYNXLJFWFFEFY-XUZZJYLKSA-N 444.966 5.965 30 20 IKED O=S(=O)(Cc1ccccc1)Cc1cccc(N=Cc2cc(Cl)cc(Cl)c2O)c1 734749606 IXDINQFMZODJMG-UHFFFAOYSA-N 434.344 5.565 30 20 IKED CNC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 734998095 MVTQAWVAHVWDTA-UHFFFAOYSA-N 440.286 5.269 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cccc(CN3CCOC3=O)c2)c1 735001121 IKTSCIMTSIPZLS-UHFFFAOYSA-N 447.878 5.208 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 742890395 RMSBDOZPXKBADT-VGSWGCGISA-N 437.540 5.186 30 20 IKED CCN(C(C)=O)c1nc(/C=C\C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2C)cs1 743056523 WZWBZJIGZZZVRP-VURMDHGXSA-N 449.363 5.213 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@]12CCCc1ccccc12)c1nc2cc(C(F)(F)F)ccc2s1 744038410 UFPLHIGEODLONJ-ZWWNWMABSA-N 426.463 5.786 30 20 IKED CN1/C(=C\C(=O)COC(=O)c2ncoc2-c2ccccc2Cl)C(C)(C)c2ccccc21 745405364 UCARKXOSKZCOMW-NDENLUEZSA-N 436.895 5.032 30 20 IKED COCCCCC(=O)N1C[C@H](c2ccc([N+](=O)[O-])cc2)SC1=Nc1ccccc1C 746766839 WFGJRGQDOAPMBM-HXUWFJFHSA-N 427.526 5.024 30 20 IKED CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(C#N)s2)NC(=O)N1Cc1cccs1 749013987 HKYGNZWBQTYFEZ-OAQYLSRUSA-N 448.573 5.169 30 20 IKED C=CCC[C@@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1ccc(C(F)(F)F)cc1 749943572 JVVDFBKMOCYYGC-GOSISDBHSA-N 445.890 5.200 30 20 IKED CCCOc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)cs2)cc1 750391504 INZRGOYCEDHKGC-SFHVURJKSA-N 439.924 5.213 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)cc1 752340407 RSKKLBRHSNYPJJ-AZUAARDMSA-N 449.551 5.034 30 20 IKED O=C1CSc2sc(C(=O)/C=C/c3cc(Br)ccc3OC(F)F)cc2N1 758025060 JFACOQXYIZAJJQ-HNQUOIGGSA-N 446.294 5.052 30 20 IKED C=C[C@@H](CC(=O)OCc1csc(CC(=O)Nc2cc(C)ccc2C)n1)c1ccccc1 758908684 QKJJOJDJIDAUHR-IBGZPJMESA-N 434.561 5.344 30 20 IKED C=C[C@@H](CC(=O)O[C@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)c1ccccc1 758913358 RKYUYXJKIFBOGL-MSOLQXFVSA-N 448.544 5.231 30 20 IKED CC1(C)C(=O)Nc2ccc(C(=O)/C=C\c3cn(-c4ccccc4)nc3-c3ccncc3)cc21 759121254 OXXYELWRBUHXJH-LUAWRHEFSA-N 434.499 5.060 30 20 IKED CN(C(=O)Cc1cccc(OCC#N)c1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 760527285 DZBYIWIRFARZGG-UHFFFAOYSA-N 439.342 5.686 30 20 IKED C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 762024643 NUPHJJWRIVYSHI-RDTXWAMCSA-N 426.925 5.307 30 20 IKED Cc1ccc(-n2c(-c3cccc(Cl)c3)nn(CN(CCC#N)CCC#N)c2=S)cc1 764844276 KJWDSJNGFSPGOP-UHFFFAOYSA-N 436.972 5.119 30 20 IKED CC(C)(C#N)CCCCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 768572078 CLWZTNNAWPUMTJ-MRXNPFEDSA-N 425.356 5.109 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 772646098 QSSCTRQTBMYSMX-INIZCTEOSA-N 430.407 5.275 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1coc(-c2ccccc2Cl)n1 776517787 SQDHQOQVCXKUHI-AWEZNQCLSA-N 447.850 5.271 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CSc3cc(C)c(C)cc3C2=O)cs1 777471383 RZKRZJXYXUGZIY-MHWRWJLKSA-N 438.549 5.956 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H](Oc1cc(Cl)ccc1Cl)c1ccccc1 780163005 GLEYWGDOOKEDSX-NYHFZMIOSA-N 441.314 6.043 30 20 IKED CCCOc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)N[C@H](CC)c3ccccc3)cs2)cc1 787046204 PQDHSWTXVCCYHB-LEWJYISDSA-N 447.560 5.189 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2C[C@@H](C)CC[C@H]2c2ccccc2OC)c1=S 795673661 HLTVHWMODOBYFF-RXVVDRJESA-N 435.597 5.101 30 20 IKED O=C(CC(F)(F)F)Nc1ccc(NC(=O)c2cc(F)c(C(F)(F)F)cc2F)cc1 804652255 IIHRVOPBXBKJGZ-UHFFFAOYSA-N 426.263 5.127 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)C3(C)CCN(Cc4ccccc4)CC3)n2)cc1 805864235 HVAIWELXXSWAOO-JOCHJYFZSA-N 445.588 5.297 30 20 IKED C[C@H](NCc1nc2ccccn2c1Br)c1ccc(-c2cccc(C#N)c2)cc1 809637816 PHFXSIMHAFIKOL-INIZCTEOSA-N 431.337 5.486 30 20 IKED N#C[C@@H](C(=O)[C@H]1CCN(c2ccccc2Cl)C1)c1nc(-c2c(F)cccc2F)cs1 810556105 ZKCOITMWUKTKDU-KBPBESRZSA-N 443.906 5.444 30 20 IKED C=CCNC(=S)/C(=C(/O)c1ccc(Cl)s1)[n+]1cc(O)cc(-c2ccccc2)c1 811722681 NMEZRUANULBRCO-UHFFFAOYSA-O 429.974 5.048 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(CCCCF)C2=O)c1 812220990 BQXVUHAZLBBOAI-HXUWFJFHSA-N 427.545 5.013 30 20 IKED C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl)c1ccc(F)c(Br)c1 813059922 LPNUXIDPVBJDPU-YPMHNXCESA-N 437.696 5.083 30 20 IKED N#C[C@H](C(=O)COc1cc(Cl)c(Cl)cc1Cl)c1nc2ccccc2n1C(F)F 915107060 KYCZJGVZGJVSLH-SECBINFHSA-N 444.652 5.647 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1 915351976 FBIPZSCCQNFTLX-ZCYQVOJMSA-N 441.531 6.454 30 20 IKED Cc1ccc(-c2cc(C(=O)Nc3cccc(OCC#N)c3)c3cnn(C(C)C)c3n2)s1 916411478 YHFXFVYUJQBEPY-UHFFFAOYSA-N 431.521 5.204 30 20 IKED N#C[C@H](C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)C(=O)NC1CCCCC1 916895958 YGUNXGSHOJDBFB-JOCHJYFZSA-N 431.511 5.064 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)cc1NC(=O)c1ccccc1F 916910268 GUDXIBGRUMVCMS-QGZVFWFLSA-N 449.869 5.001 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCc3nc(-c4cccs4)no3)n2)cc1 916974171 FQWRQHUKSFOLRW-MRXNPFEDSA-N 434.546 5.429 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2[nH]c3ccc(F)cc3c2Cl)c1 919428070 LIJJFQZVQIFFFQ-HNNXBMFYSA-N 441.890 5.069 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 919998601 KBFZSEBHUMVEQE-UHFFFAOYSA-N 426.442 5.061 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 920102545 UXFIIYYIPUCXBJ-LJQANCHMSA-N 438.512 5.391 30 20 IKED COC(=O)c1sc2ncc(C(=O)/C=C/c3ccc(OCC(F)(F)F)cc3)cc2c1C 921265722 QMVYYMKHPMANDW-VMPITWQZSA-N 435.423 5.229 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5ccoc5c4)CCC3)cc2)c1 1790258697 KKQPBMSGTLMILM-UHFFFAOYSA-N 435.483 5.366 30 20 IKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccccc1C)C2 1793048966 GFXKQPDWXGDEEF-NUNAXRQHSA-N 443.591 5.077 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c(-c3ccc(F)cc3)c1)C2 1798591660 IOOJJNVKXDCPLF-KOUNCHBCSA-N 437.559 5.065 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nc(C(C)C)cs2)n[nH]1 1816058754 GGQVGENTHZTPGP-IBGZPJMESA-N 441.601 5.064 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cc(C)cs2)[nH]n1 1819304127 ZVCLQLLLLUEUQK-TZIWHRDSSA-N 440.613 5.173 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2-c2ccc(C)cc2)n[nH]1 1821225898 QWIJWHBRFDCFTR-HSZRJFAPSA-N 428.536 5.267 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccccc3o2)CC1 1823752093 LFZVZHMZHHGWFS-JOCHJYFZSA-N 436.596 5.659 30 20 IKED CCC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)CCC1 1828478150 DAIPQVFSYBDGPD-HYBUGGRVSA-N 435.612 5.127 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccs2)CC1 1828821899 UKOMNHOJYZXNNO-GOTSBHOMSA-N 428.642 5.069 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ccoc23)CC1 1828830983 RMRWXACHVPFWNN-VWNXMTODSA-N 434.580 5.435 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)CC1 1830189435 XLAQATRKLALDAL-JYFHCDHNSA-N 447.623 5.099 30 20 IKED Cc1ccc(-c2ccccc2C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCC#N)CC2)cc1 1830671563 ATRSFARXAXSQBF-SANMLTNESA-N 443.591 5.199 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccoc23)CC1 1830987201 KJBXBGHUISEBTD-XMMPIXPASA-N 434.580 5.435 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2C2CC2)CC1 1832557845 JNKLWFSQDOBJSH-JYFHCDHNSA-N 434.624 5.566 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2cccc(O)c2)c1 10174569 WEYYULDGHAIMRS-UHFFFAOYSA-O 433.597 5.591 30 20 IKED O=C(/C(=C(\S)Nc1ccccc1F)[n+]1ccc(Cc2ccccc2)cc1)c1ccccc1 11169606 UXNNPRBMCMISMZ-UHFFFAOYSA-O 441.551 5.755 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)nc2cc(Cl)ccc2c1=O 21831445 FLBKDCSMUWXKRN-ZDUSSCGKSA-N 448.375 5.317 30 20 IKED CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1ccccc1 21867848 XBMDAZDGUAILFB-IBGZPJMESA-N 433.581 5.009 30 20 IKED Cc1nn(-c2ccccc2)c(COC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1C#N 23204384 HTOOUPVKYDXAFF-UHFFFAOYSA-N 446.894 5.037 30 20 IKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2cccc(C)c2)c1C 28695800 SBUVPEHBSZIRRJ-UHFFFAOYSA-O 434.585 5.098 30 20 IKED N#Cc1ccc(OCC(=O)c2cc(Br)sc2Br)c(Cl)c1 48484986 RFFMNVBXSQUHOA-UHFFFAOYSA-N 435.524 5.060 30 20 IKED Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1ccccc1-c1ccccc1C#N 109250107 YRLIYTKKDGMUIX-HXUWFJFHSA-N 437.543 5.801 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCCCOc1cccc2cccnc12 111022514 BHBQHMGWQOYBMK-UHFFFAOYSA-N 439.540 5.457 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3ccc(NC(=O)c4cccnc4)cc3)c2)c1 238111454 FKFWUHPXKHGVHY-UHFFFAOYSA-N 448.526 5.074 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)cc1 433395814 TYDHOLIFRBDNEM-ISVJADKWSA-N 446.513 5.588 30 20 IKED Cc1cccc(Oc2ccccc2NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)c1 437045471 UAWQBYQGCDKKRX-UHFFFAOYSA-N 429.476 5.047 30 20 IKED C=CCn1c(S[C@@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)nnc1-c1ccoc1C 438811925 MVOXRJXJNIOOIG-MRXNPFEDSA-N 438.336 5.346 30 20 IKED N#Cc1ccc(NC(=O)C(=O)Nc2cccc(Oc3ccnc4ccccc34)c2)c(Cl)c1 440325103 JXXBMVDTWYRGGI-UHFFFAOYSA-N 442.862 5.129 30 20 IKED CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2cn(CCCC#N)c3ccccc23)cc1 444030062 JLEIOUTUCKEVPT-LJQANCHMSA-N 445.567 5.310 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1cnn(C2CCCC2)c1C 444892917 CVRQNSVSODNZCL-UHFFFAOYSA-N 429.524 5.710 30 20 IKED CC[C@@H](Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1)c1ccc(C#N)cc1 447600712 NDAFVVFZEKPCRY-VGOFRKELSA-N 435.959 5.788 30 20 IKED CCOC(=O)c1csc(C2CCN(c3c(C#N)cnc4ccc(C(C)C)cc34)CC2)n1 447680399 OGRZRHAVIBQPAP-UHFFFAOYSA-N 434.565 5.247 30 20 IKED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CCCCc1ccc(Cl)c(Cl)c1 461306556 IUFNXCOLOMQUHH-UHFFFAOYSA-N 428.323 5.106 30 20 IKED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CSc1ccc(Cl)c(Cl)c1 463197539 JPFYJTUBNPJANX-UHFFFAOYSA-N 426.369 5.051 30 20 IKED Cn1c([C@H](NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c2ccccc2)nc2ccccc21 465821553 UEKWTBURCCAVMW-KTIWRFAQSA-N 449.558 5.144 30 20 IKED Cc1cnc([C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)s1 466119655 YIJLEGWEOZVPNU-PZJWPPBQSA-N 436.968 6.033 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)ccc21 469957330 UNHLXQRQQCTEOR-UHFFFAOYSA-N 435.833 5.194 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2cccc(NC(=O)CCCc3cccs3)c2)n1 474431889 IZAMAMMLVWKQKS-LJQANCHMSA-N 437.590 5.779 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC 475570776 UFMUNBGVOVJAPV-QFIPXVFZSA-N 435.568 5.491 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1csc(-c2ccco2)n1 478669688 RDECTIKXBVWFTF-UHFFFAOYSA-N 444.516 5.484 30 20 IKED C[C@H]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)[C@@H](c2ccco2)C1 480315399 PCGWIHCANQRZTE-YADARESESA-N 429.520 5.930 30 20 IKED C[C@H]1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)[C@@H](c2ccco2)C1 480386467 TVCLUDGXCUZJRQ-YADARESESA-N 429.520 5.930 30 20 IKED COc1ccc(CN(C(=O)C[C@H](CC#N)c2ccccc2)c2ccc3nc(C)[nH]c3c2)cc1 483519452 MPEJAKNEGYCPOW-QFIPXVFZSA-N 438.531 5.501 30 20 IKED CCC[C@@H](C)N(C(=O)c1ccc(C(C)(C)C#N)cc1)c1nc(C)c(C(=O)OCC)s1 483621086 RRMPFHZAMAWPBX-OAHLLOKOSA-N 427.570 5.265 30 20 IKED CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1ccc(C#N)c(F)c1 484102770 RFWKSJHZAKSGLA-UHFFFAOYSA-N 427.829 5.219 30 20 IKED C=CCn1c(SCc2nc3ccc(Br)cc3n2C)nnc1-c1cccs1 486033565 ZOFPAZMJKSNCDH-UHFFFAOYSA-N 446.399 5.134 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1nc2c(F)cccc2n1CC 489646569 YRKXGBFRWDCPQP-UHFFFAOYSA-N 437.544 5.153 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3c(C)cccc3C(C)C)o2)cc1 489749055 WABXTEPYMGKZFR-QGZVFWFLSA-N 437.565 5.853 30 20 IKED N#Cc1ccc(Br)c(CSc2nnc(Cc3c(F)cccc3Cl)o2)c1 492062409 NELZCCJFRDKVCD-UHFFFAOYSA-N 438.709 5.379 30 20 IKED COc1ccc(C#N)cc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 493083643 XLGDMMGHEPYSOU-UHFFFAOYSA-N 442.906 5.254 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c(C)c1 498842611 ZLXKLOWBZAHVID-HXUWFJFHSA-N 436.625 5.497 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCCCC[C@H]2c2noc(C)n2)cc1 500885835 IFTFNDQFWPFZLX-FQEVSTJZSA-N 447.495 5.200 30 20 IKED Cc1sc(-c2ccco2)nc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 501474915 IYYLSQIMSGJPBM-UHFFFAOYSA-N 429.501 5.609 30 20 IKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1 505810166 XEBQULGGNHVYHL-SFHVURJKSA-N 444.432 5.322 30 20 IKED N#Cc1cccc(COc2cccc(CN[C@H]3CCCc4cn(C5CCCC5)nc43)c2)c1 505982725 SOIYYFMZSPDMLN-SANMLTNESA-N 426.564 5.616 30 20 IKED CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=O)c1ccc(C#N)nc1 508240001 UYOYBPDOLKOJIV-QFIPXVFZSA-N 439.437 5.254 30 20 IKED CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)NCCCCC#N 508368468 FHZJSHKLYFQVOQ-UHFFFAOYSA-N 435.959 5.087 30 20 IKED C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510023318 KBBMKASURQITMG-QRWLVFNGSA-N 439.893 6.499 30 20 IKED Cc1c(NC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)cccc1OCC(F)(F)F 510047839 CNFJVPXGGLMGKW-OAHLLOKOSA-N 438.343 5.890 30 20 IKED CC(C)(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cc(F)cc(C#N)c1 510843310 UIANOFLSEHVUQR-UHFFFAOYSA-N 431.442 5.203 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)c1 511151012 CZUCRAIZVCZTTB-UHFFFAOYSA-N 443.812 5.735 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccccc2N2CCCCC2)cc1 513962253 UFYHKIDMPFFLRI-UHFFFAOYSA-N 442.538 5.922 30 20 IKED COc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1NC(C)=O 516390645 DWAFCLGRPOXBSO-UHFFFAOYSA-N 431.517 5.070 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 518166349 WYTJILWGBKPKTB-JKSUJKDBSA-N 437.569 5.105 30 20 IKED COc1cccc(C(NCc2ccc(Br)cc2C#N)c2cccc(OC)c2)c1 518507994 PEKWGOGGGSEFGG-UHFFFAOYSA-N 437.337 5.217 30 20 IKED COc1ccc2[nH]cc(CC(=O)N(Cc3ccc(C#N)cc3)c3ccc(F)cc3C)c2c1 521141995 NRCWNOFBUPIGTL-UHFFFAOYSA-N 427.479 5.272 30 20 IKED Cc1cc(CN(C(=O)CCc2c(C)nc(O)c(C#N)c2C)C2CCCC2)c2ccccc2n1 521927311 GRWYTERQLYJGGQ-UHFFFAOYSA-N 442.563 5.036 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N[C@H](Cc1ccccc1)c1sccc1C 522953632 MZTNCKCDJIOHEZ-OAQYLSRUSA-N 434.561 5.196 30 20 IKED COc1cc(CS[C@H](C)C(=O)Nc2ccccc2)ccc1OCc1cccc(C#N)c1 523936926 SJIPIGHZJFJNNI-GOSISDBHSA-N 432.545 5.406 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](SCc1ccccc1)C(C)C 524168511 GFDAKSCULYGARE-QHCPKHFHSA-N 431.561 5.951 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](c1c(F)cccc1Cl)N(C)C 524813309 AZBYOSXRPLPLBQ-NRFANRHFSA-N 438.890 5.088 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCO[C@](C)(c3ccccc3)C2)cc1 531597407 MBIQJIPPLOHDLS-SANMLTNESA-N 443.503 5.139 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C3(c4ccc(F)cc4F)CCOCC3)c2)cc1 536315874 AEMLRMZPQMTXOA-UHFFFAOYSA-N 434.442 5.316 30 20 IKED N#CCSc1ccccc1NC(=O)CN1CCC(c2ccc(C(F)(F)F)cc2)CC1 539096717 LKESRGZETXDPHP-UHFFFAOYSA-N 433.499 5.139 30 20 IKED Fc1ccc([C@@H](CC(F)(F)F)NCc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 539279050 JJLJYLSIHGFZAR-OAHLLOKOSA-N 433.327 5.678 30 20 IKED C[C@H](C#N)CSc1ccccc1NCc1cc2c(cc1Br)OCCCO2 539638986 OIPHHXAEHFNURR-CQSZACIVSA-N 433.371 5.474 30 20 IKED CSc1nc(O)c(C(=O)N[C@H](C)c2ccc(-c3ccc(Cl)cc3)s2)cc1C#N 540022187 WUPSJLWVQVAYDJ-LLVKDONJSA-N 429.954 5.254 30 20 IKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 541072745 XJCJAXPHCSDDND-ROUUACIJSA-N 443.572 5.542 30 20 IKED Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542931488 CLKGHAZWEWFZFO-LJQANCHMSA-N 428.580 5.505 30 20 IKED C[C@H](N[C@H](C)c1ccc(OCc2nccn2C)cc1)c1ccc(-c2cccc(C#N)c2)cc1 543960906 FNCAVQACKAYITN-LEWJYISDSA-N 436.559 5.950 30 20 IKED COc1ccc(CNc2ncc(Cc3ccc(C#N)cc3)s2)cc1OCc1cccnc1 544665950 HOAGVFFMPVSENM-UHFFFAOYSA-N 442.544 5.200 30 20 IKED N#Cc1ccc(C(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)cc1Cl 548616608 PMKGNKCSAKPQRF-INIZCTEOSA-N 426.948 5.127 30 20 IKED N#Cc1ccc(Br)c(CS(=O)(=O)[C@@H](c2ccccc2)c2ccc(F)cc2)c1 549569615 QDNGDYLYOZMHEG-NRFANRHFSA-N 444.325 5.164 30 20 IKED Cc1ccc2nc(-c3cccnc3)cc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)c2c1 556075819 KRFAIHBDBNQVBB-LJQANCHMSA-N 432.405 5.509 30 20 IKED N#CCCn1cc(CN(Cc2ccccc2C(F)(F)F)CC2CC2)c(-c2ccncc2)n1 558414801 WXVPCYBYQJYJMT-UHFFFAOYSA-N 439.485 5.290 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1ccc2n[nH]cc2c1 562151366 POUVKLJGCNTMLS-QGZVFWFLSA-N 425.492 5.205 30 20 IKED COc1ccc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1OC1CCCC1 562190839 YYJARGQFFOPCBI-UHFFFAOYSA-N 429.476 5.328 30 20 IKED COC1(c2noc([C@H]3CCN(c4ccc(C#N)cc4F)C3)n2)CCC(c2ccccc2)CC1 573525328 RWZRWVPAEVVJMQ-WRDKKKNXSA-N 446.526 5.274 30 20 IKED C[C@@H](NC(=O)NCc1cc(F)c(C(F)(F)F)cc1F)c1nc(C(F)(F)F)cs1 582080622 QIIBNEBKANTMIH-ZCFIWIBFSA-N 433.324 5.019 30 20 IKED Cc1nn(-c2ccccc2)c2sc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)cc12 592975522 ILACGBYCMGUQNJ-MRXNPFEDSA-N 432.505 5.634 30 20 IKED N#Cc1c(NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)sc2c1CCC2 603750475 RGGSJYVGHSIKQU-UHFFFAOYSA-N 440.322 5.311 30 20 IKED CCc1cc(C#N)c(NC(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)s1 604029928 LCCBHLDFGVMOKE-UHFFFAOYSA-N 426.925 5.675 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2cccs2)cc1Cl 604159191 AKSVRFGOZFTGRY-PZJWPPBQSA-N 449.963 5.359 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H]3CCCO[C@@H]3c3ccccc3)cn2)cc1 604428861 IQQYUBCKXUMOJT-HYBUGGRVSA-N 428.492 5.035 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1ccc(C(F)(F)F)nc1 605478976 BFJXPXYJOJKXNX-UHFFFAOYSA-N 432.242 5.313 30 20 IKED Cc1cc(F)ccc1NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 608762870 JRNSEEJIXCKALR-UHFFFAOYSA-N 431.311 5.610 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCC2(c3ccc(Cl)cc3)CC2)cc1 608995379 MMFSNCNOXOIHAL-UHFFFAOYSA-N 445.950 5.838 30 20 IKED CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1cc2ccccc2n1CC#N 609166345 VWOHBMXAEAWKSO-UHFFFAOYSA-N 443.526 5.179 30 20 IKED COc1ccc2oc(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)c(C)c2c1 609171824 DPWMVTQDQBMYOH-HSZRJFAPSA-N 426.472 5.324 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)Cc3csc(Cc4ccccc4)n3)c2)cc1 609177078 IKZCUOAFQMRVPP-UHFFFAOYSA-N 425.513 5.579 30 20 IKED N#CCn1c(C(=O)Nc2nc(-c3ccc(Br)s3)cs2)cc2ccccc21 609215585 FEPUGFUIAJFFBU-UHFFFAOYSA-N 443.351 5.365 30 20 IKED N#Cc1ccccc1COc1cccc(CNC[C@@H]2CCCN(Cc3cccs3)C2)c1 609433292 SDNXWYBGLIOCHJ-QFIPXVFZSA-N 431.605 5.201 30 20 IKED Cc1cccc([C@H]2CCCCCN2C(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 609812237 CAYXNURUWSCOBH-SIKLNZKXSA-N 435.593 5.329 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 609845456 QWRYLIBHLDJRLH-YLJYHZDGSA-N 447.564 5.890 30 20 IKED COc1cccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)NCC(C)(C)C#N)c1OC 611695336 QQFHTEBPNZTVKT-SAPNQHFASA-N 441.531 5.018 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3NC(=O)c3ccsc3)n2)cc1 613318024 GNQGCOFJRGNGAK-LJQANCHMSA-N 443.553 5.922 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NCc1ccc(C#N)c(Cl)c1 619755341 XMECFUGVIXLYIB-GFCCVEGCSA-N 446.801 6.257 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3SCc3cscn3)n2)cc1 642281253 SKNHWVLQZLYYFT-LJQANCHMSA-N 447.610 6.357 30 20 IKED COc1cc(NC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)ccc1F 682006048 RSJRLWQKWHADGZ-UHFFFAOYSA-N 447.310 5.310 30 20 IKED CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 682421248 FKUGEWMIGBRPLB-ZIAGYGMSSA-N 449.357 5.863 30 20 IKED Cc1cc2sc(NC(=O)N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)nc2cc1F 684701653 JQUGFYJPHLHJFA-IUCAKERBSA-N 429.361 5.338 30 20 IKED Cc1sc2ncnc(NN=Cc3cn(-c4ccccc4)nc3-c3ccncc3)c2c1C 725787382 GBKKRKXLSWWUDL-UHFFFAOYSA-N 425.521 5.002 30 20 IKED C[C@H](OC(=O)[C@@H](C)c1c(Cl)cccc1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 726033701 ZNYCZJBSQZBOME-QWRGUYRKSA-N 437.348 5.089 30 20 IKED N#C[C@H](C(=O)CCc1ccc(Cl)c(Cl)c1)c1nc(-c2c(F)cccc2F)cs1 726327734 DEVMVDLEWIOQKS-GFCCVEGCSA-N 437.298 6.204 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C\c1ccc(N2CCOCC2)c(F)c1 727267332 HBXLTQAJAWQPCQ-OQFOIZHKSA-N 426.488 5.129 30 20 IKED CCOc1cccc(C=Nc2ccc(OC)c(OCc3ccc4ccccc4n3)c2)c1O 727973095 QERDZSKIYBMMCI-UHFFFAOYSA-N 428.488 5.677 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F 728034050 UCXUNILDKZXFTH-LJQANCHMSA-N 432.442 5.108 30 20 IKED N#CCOc1ccc(CC(=O)N2CCCc3c(NC(=O)CC4CCCCC4)cccc32)cc1 731994536 TXIOHAFVWRKBDS-UHFFFAOYSA-N 445.563 5.020 30 20 IKED C#CCN(C(=O)N[C@@H](c1cccs1)C1CC1)[C@@H]1CCOc2ccc(Br)cc21 733640598 BHHIADLQMQWBFT-YLJYHZDGSA-N 445.382 5.130 30 20 IKED N#C[C@H](C(=O)[C@@H](c1ccccc1)N1CCCCC1=O)c1nc(-c2ccc(Cl)cc2)cs1 733679993 RIGPSVFUMKGPQW-DENIHFKCSA-N 449.963 5.394 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(Cl)ccc1OCC#N 735320274 OWBSCMCWBZQOLZ-OAHLLOKOSA-N 445.997 5.509 30 20 IKED C[C@H](C#N)Oc1ccc(/C=C2/CC(C)(C)C/C(=C\c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1 736433624 HRVHRSABEOSHIT-WNWFAJPNSA-N 440.543 6.124 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C\C(=O)c1ccc(N2CCCC2=O)cc1 740765174 RLNDOQNPENQQNC-YPKPFQOOSA-N 433.939 5.225 30 20 IKED O=C(/C=C\c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1c(Cl)nc2sccn12 741844794 RGBNCUJASHDCIA-WAYWQWQTSA-N 439.871 6.088 30 20 IKED Cc1c(C(=O)/C=C/C2=Cc3cc(Br)ccc3OC2)cnn1-c1ccc(C#N)cc1 741852454 OKEJVJXDEUUIOD-XBXARRHUSA-N 446.304 5.030 30 20 IKED CC(C)(C)c1cc(CNc2ccc(N3CCC(O)CC3)c(C#N)c2)c(O)c(C(C)(C)C)c1 742386003 WTDACZAAFLQSLI-UHFFFAOYSA-N 435.612 5.432 30 20 IKED CC(C)=CC(=O)NCc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 742654382 VKWYUIOAZUNIKW-UHFFFAOYSA-N 425.488 5.185 30 20 IKED N#Cc1cc(F)ccc1COC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 745344975 DIXACRHVDHVPRV-UHFFFAOYSA-N 445.490 5.068 30 20 IKED Cc1cccc(-c2nnc([C@@H](C)Sc3nc4c(c(-c5ccco5)c3C#N)CCC4)o2)c1 745931608 XODZPZDIGTYWIB-OAHLLOKOSA-N 428.517 5.914 30 20 IKED N#Cc1ccc(Oc2ccc(OC(=O)c3nc(NCc4ccco4)ncc3Cl)cc2)cc1 748684361 ZJLZGQIYPGJQKR-UHFFFAOYSA-N 446.850 5.218 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCCCC[C@H]3C[C@@H](O)c3ccccc3)o2)cc1 752109589 BJPBPBYOGKXSGR-WIOPSUGQSA-N 444.531 5.239 30 20 IKED CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)OC(=O)c3c(F)cc(C#N)cc3F)ccc21 756591490 UQOXLXNJGCAUFZ-CQSZACIVSA-N 447.441 5.148 30 20 IKED Cc1ccc(-c2nnc([C@H](C)OC(=O)c3ccc(COc4ccccc4C#N)o3)o2)cc1C 758937056 PEGVLZHWOFGJCO-KRWDZBQOSA-N 443.459 5.315 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)Nc1ccc(F)cc1OCC#N 761663664 LNYPXDHLSLEPRI-ZDUSSCGKSA-N 428.464 5.182 30 20 IKED CCN(C(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)[C@H](C)c1ccc(C#N)cc1 765037033 IQUUHESQICFKQD-RTBURBONSA-N 427.589 5.141 30 20 IKED COC(=O)c1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1 767736862 NVPZWONWBAQHRX-XFXZXTDPSA-N 440.908 5.164 30 20 IKED Cc1nnc(SCc2c(C(=O)OCc3cccc(C#N)c3F)oc3ccccc23)s1 774936945 LDFYAONBFRCFGL-UHFFFAOYSA-N 439.493 5.253 30 20 IKED COc1ccc2nc(Cl)c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cc2c1 775481881 SDTIFXTYJVVCOU-UHFFFAOYSA-N 430.851 5.208 30 20 IKED CCCOc1ccc(CN(Cc2ccccc2)C(=O)Nc2cccc(OCC#N)c2)cc1 778254553 NSYOEDWCXKQVEM-UHFFFAOYSA-N 429.520 5.612 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1 780152741 UFTBBXAXTSNDIV-HNNXBMFYSA-N 437.546 5.022 30 20 IKED CC[C@H](C#N)Sc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1 780328069 CLMRDGRNFFOFIT-MRXNPFEDSA-N 437.619 5.623 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 780677648 GXTMXTKLQOHZQG-BZNIZROVSA-N 429.345 5.004 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)NC2CCC(c3ccc(F)cc3)CC2)ccc1OC 781936542 AIYJPOIICKRKDK-KITAHSCOSA-N 439.531 5.041 30 20 IKED C[C@@H](NC(=O)Nc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2cccc(C#N)c2)cc1 782570068 SWYISOOMDGLBQH-GOSISDBHSA-N 444.510 5.084 30 20 IKED CCCc1c(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)cnn1-c1cccc(C#N)c1 784716205 QYJOIUBZMKCGEU-UHFFFAOYSA-N 445.523 5.296 30 20 IKED N#C[C@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1cnc2ccccc2n1 792107658 GYOCGOSZENAFFD-NRFANRHFSA-N 434.474 5.726 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2C)cc1C#N 793719286 UCJKPLYRVHDKRQ-UHFFFAOYSA-N 438.484 5.034 30 20 IKED CN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 799772239 MHRZIEHVIUDQTJ-UHFFFAOYSA-N 445.422 5.047 30 20 IKED Cc1ccc(C2=NO[C@@H](CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)C2)cc1C 801611123 DCOIEOVEJQTXIF-RPBOFIJWSA-N 438.531 5.274 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)c1C#N 801653168 ZKOBAPURBWDYEP-INIZCTEOSA-N 434.418 5.134 30 20 IKED Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)OCCCSCC#N)c12 805386128 IDPXGEUKQASDBG-UHFFFAOYSA-N 435.427 5.021 30 20 IKED CN(Cc1cccc(NCc2cc(F)c(C(F)(F)F)cc2F)c1)C(=O)C(F)(F)F 809187560 BICVLUXMQCUREO-UHFFFAOYSA-N 426.307 5.116 30 20 IKED CC(C)(C)Sc1ccc(-c2noc(C3CCN(c4ccc(C#N)cc4F)CC3)n2)nc1 809445892 KKOMLDDNZLUMGU-UHFFFAOYSA-N 437.544 5.417 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cn4c(Br)cnc4s3)n2)cc1 815911094 QVQBYSFSWIXVEZ-GFCCVEGCSA-N 443.351 5.080 30 20 IKED N#C[C@@H](N/C=C1\C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)c2ccccc21)c1ccccc1 912753049 LLWDIBUPVPFJHW-PHCAOYFPSA-N 447.416 5.088 30 20 IKED COC(=O)c1sc2ncc(C(=O)/C=C/c3csc(-c4ccc(F)cc4)n3)cc2c1C 914773707 SIRYJCDLUCDLPT-BQYQJAHWSA-N 438.505 5.550 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3NC(=O)c3ccccc3)cn2)c1 915198694 RMTFTJKSVPNZQV-UHFFFAOYSA-N 434.455 5.250 30 20 IKED COc1cc2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)[nH]c2c(OC)c1OC 915200032 SSFALKZUBPPCKI-FQEVSTJZSA-N 441.487 5.101 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 915200050 UFOZDNYMQZRXRU-KAYWLYCHSA-N 445.522 5.452 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C2CC2)cc1 916211315 CJFNEBREWMMWAW-IBGZPJMESA-N 427.957 5.080 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(OC(F)F)cc1 916272662 GZXORSMLKGYGKQ-UHFFFAOYSA-N 445.878 5.570 30 20 IKED COc1ccc(C(=O)/C=C\c2c(C)nn(-c3cccc(Cl)c3)c2Cl)cc1CC(=O)O 916546761 AQTQKTIEEDOUHB-FPLPWBNLSA-N 445.302 5.019 30 20 IKED N#C[C@H](C(=O)NC1CCCCC1)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 916893906 KOXJKXRTMVZVFU-NRFANRHFSA-N 426.969 5.404 30 20 IKED CC(C)OCc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916906250 CSLSSEDXBZYFAF-QFIPXVFZSA-N 428.488 5.365 30 20 IKED O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1C=NNc1ncccc1Cl 917549539 SBJVLIIPUPYJEN-UHFFFAOYSA-N 441.878 5.140 30 20 IKED CCc1cccc[n+]1/C(C(=S)Nc1ccccc1C#N)=C(/O)c1ccc(C(C)(C)C)cc1 917613752 SMCLCLDEUWIBAT-UHFFFAOYSA-O 442.608 6.029 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2csc3ccccc23)cc1 917683057 QNVKTZWMSCEAJH-OAQYLSRUSA-N 449.601 5.010 30 20 IKED Cc1ccc(C[C@@H](C#N)Sc2nnc(CSc3nc4ccccc4s3)n2C)cc1 917775043 VTWKUSLRBCEALB-INIZCTEOSA-N 437.619 5.253 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 918034509 RMDKBKKVMGEEPY-BVAGGSTKSA-N 439.515 5.386 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3SC(F)(F)F)n2)cc1 920142028 JPNPUEISHXVSGE-HNNXBMFYSA-N 434.464 5.921 30 20 IKED C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920803784 CIROPIOZHUSTKK-SMDDNHRTSA-N 445.472 5.354 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCc4ccoc4C3)cc2)CCC1 1786217137 YDCJXPXOCLJYIH-REWPJTCUSA-N 432.564 5.287 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)cc3OC)cc2)CCC1 1790234727 UAVIRGBTXUTLFH-QFIPXVFZSA-N 448.563 5.220 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(C)s3)cc2)CCC1 1791834289 ZYDCJCBTTIYEJP-BUHFOSPRSA-N 438.593 5.187 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(F)c(C)cc3F)cc2)CCC1 1792118993 CJVQXIHRCPZWFB-UHFFFAOYSA-N 442.506 5.004 30 20 IKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(Cl)cc3F)C2)CC1 1805064685 HVBZZHHUDYOZEU-UHFFFAOYSA-N 432.967 5.092 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)Cc3c(F)cccc3Cl)C2)CC1 1805214647 SMCBXULWAMNBTH-IBGZPJMESA-N 446.994 5.021 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1 1809249288 YDAAKKRTGJATSJ-URXFXBBRSA-N 445.563 5.140 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2OCC)[nH]n1 1814441528 MIQOPIICNWRUQQ-FQEVSTJZSA-N 438.572 5.107 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](c2ccc(F)cc2)C(C)C)[nH]n1 1821926200 LRRYYEIYYJOPMR-LXBDKUERSA-N 440.563 5.193 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)C(C)(F)F)CC1 1824632531 RUBMQYXRRCYNEH-IBGZPJMESA-N 426.592 5.280 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](F)c2ccccc2)CC1 1824857891 MRGKYIBDQZYCLK-WXFUMESZSA-N 426.576 5.085 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1825424425 OCTPZYJNEVFKQH-HFZDXXHNSA-N 447.623 5.436 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3sccc3[nH]2)CC1 1828707652 VXQJVWRRDXAHBP-OAQYLSRUSA-N 441.641 5.455 30 20 IKED CC[C@@H](C)c1ccc([C@@H](NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c2cccs2)cc1 9930351 YGIPNNUQVQXYPW-PUAOIOHZSA-N 447.604 5.277 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1)=C(/S)Nc1ccccc1OC 10118163 JVJDVEDYNHEOEK-UHFFFAOYSA-O 425.961 5.249 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cccc([N+](=O)[O-])c1)=C(/S)Nc1cc(C)cc(C)c1 10172503 UAHITDDJBBUSSS-UHFFFAOYSA-O 434.541 5.112 30 20 IKED C=CCn1c(SCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)nnc1-c1cccnc1 18405216 NBJNCKRWMPCXPE-UHFFFAOYSA-N 447.539 5.048 30 20 IKED CC(=O)c1sc(/N=C(\O)C2=NN(c3cccc(C)c3)C(=O)CC2)nc1-c1ccccc1 23687587 OYPNIMBGPWMNBL-UHFFFAOYSA-N 432.505 5.092 30 20 IKED C=CCn1c(SCc2csc(N(C(C)=O)c3cccc(C)c3C)n2)nnc1C1CC1 24666469 LPCGIKADQDYJEV-UHFFFAOYSA-N 439.610 5.392 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 63424191 FGYLVVOXLPYWKP-UHFFFAOYSA-N 445.906 5.157 30 20 IKED COc1ccc(N/C(S)=C(/C(=O)c2cc(Cl)ccc2Cl)[n+]2cccc(C)c2)cc1 71793498 QLGVMBWJXOSIFX-UHFFFAOYSA-O 446.379 5.649 30 20 IKED Cc1oc(-c2cccs2)nc1CC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 72096697 JRSNBAOUUYXCAO-JOCHJYFZSA-N 443.528 5.214 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1 97008108 VWKMDMORMBUBPD-VWLOTQADSA-N 440.499 5.100 30 20 IKED N#C[C@H](C(=O)CCCc1ccc(Br)s1)c1nc2ccccc2n1C(F)F 195557417 MHIFQYYVCZBGOZ-GFCCVEGCSA-N 438.297 5.455 30 20 IKED CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 302790235 COFUIKCRUGLERD-UHFFFAOYSA-N 438.556 5.308 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(-c2ccccc2F)c1C 303044291 WXPNHNKSUGAKAT-UHFFFAOYSA-N 426.451 5.545 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](CO)Cc1ccccc1Br 429622311 NNBYKINVNVWHPN-KRWDZBQOSA-N 445.401 5.274 30 20 IKED N#CCSc1cccc(C(=O)Nc2nc(-c3sccc3Br)cs2)c1 430044251 GZBDKDJNDYFEKU-UHFFFAOYSA-N 436.381 5.502 30 20 IKED CC(C)N1CC[C@H](NC(=O)N[C@H](CCCC#N)c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 431462510 BQLJBRLICILNAC-SGNDLWITSA-N 440.538 5.223 30 20 IKED N#C[C@@H](C(=O)c1cc(C2CC2)nc2ccc(Cl)cc12)c1nc2ccccc2n1C(F)F 435460586 YYBRAOQSIKSNIU-INIZCTEOSA-N 436.849 6.000 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 436361893 NWMZONIHHYGQEO-NHCUHLMSSA-N 447.535 5.360 30 20 IKED N#Cc1ccsc1C(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2O)c(Cl)c1 436659384 OQNPSANGNIZEGN-UHFFFAOYSA-N 432.288 5.137 30 20 IKED CC[C@@H](C)Oc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 437257859 OSYSMSDLZPQTAV-QGZVFWFLSA-N 429.476 5.105 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 437844353 QDBUNSFIZWYXAG-NOZRDPDXSA-N 438.531 5.551 30 20 IKED C[C@@H](c1ccc2ccccc2c1)N(C(=O)Nc1ccccc1S[C@H](C)CC#N)C1CC1 438052278 WYNMBVCXROWEPZ-MOPGFXCFSA-N 429.589 6.992 30 20 IKED Cc1nn(C)c(C)c1CNC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 438545934 LIBVHGJLHCUYIS-UHFFFAOYSA-N 443.429 5.041 30 20 IKED C[C@@H]1[C@@H](N(Cc2ccc3c(c2)OCO3)Cc2nnc(-c3cccc(C#N)c3)o2)CCC[C@H]1C 441517134 PXAVUSBTGHYUTB-FGSXEWAUSA-N 444.535 5.164 30 20 IKED C=CCC[C@H](NC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12)c1ccc(C(F)(F)F)cc1 441551440 NLLXWVSXTAQVBR-SFHVURJKSA-N 445.397 5.305 30 20 IKED CC[C@H](C)[C@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)cc1 442156857 CPWNDFSODIPDRG-QYWGDWMGSA-N 444.000 5.576 30 20 IKED N#Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1C(F)(F)F 443883364 VMTGWJMCCGKYGD-UHFFFAOYSA-N 438.818 5.011 30 20 IKED C=CCN1C(=O)N(c2ccc(Oc3ccccc3C#N)c(F)c2)C(=O)[C@@H]1Cc1ccccc1 446158627 SMWQWBNOVWAXDA-QFIPXVFZSA-N 441.462 5.056 30 20 IKED CC[C@H](N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)c1ccc(C#N)cc1 447579940 MQIABNOMNNHPDP-BJKOFHAPSA-N 440.515 5.070 30 20 IKED C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H]1c1ccc(Br)s1 460786477 JZLPVKLGERRAOI-INIZCTEOSA-N 444.402 5.006 30 20 IKED COC(C)(C)c1nc(C)c(C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)s1 463342048 AMQXVLPIFQRKEJ-UHFFFAOYSA-N 437.540 5.499 30 20 IKED CN(C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)[C@H]1CCCC[C@H]1C(F)(F)F 463654945 HSMURQRBVDYWED-RDBSUJKOSA-N 448.354 5.654 30 20 IKED N#Cc1ccc(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])cc1C#N 466424050 URVPGTOBACFDBF-UHFFFAOYSA-N 434.864 5.395 30 20 IKED COCc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)o1 467346738 MFMZCGXIWLGYSX-HXUWFJFHSA-N 435.455 5.598 30 20 IKED O=C(Cc1cccc(C(F)F)c1)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 468405894 RRELAVAKCOEKGE-HNNXBMFYSA-N 425.319 5.995 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)nn1-c1c(F)cccc1F 468781105 BSVWFLIVXXTZAR-LBPRGKRZSA-N 428.851 5.212 30 20 IKED CC[C@@H](CSc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469193535 JYVRUCNUUJSRGG-SFHVURJKSA-N 438.553 5.161 30 20 IKED C[C@@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C[C@H]1n1ccnc1 469697163 DZDYASOGWSUCCB-VGOFRKELSA-N 449.942 5.102 30 20 IKED O=C(C1CCC(F)(F)CC1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469765007 RDKCBXLPFIJMAD-OAHLLOKOSA-N 445.350 5.450 30 20 IKED C=C[C@H](CC(=O)N1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1)c1ccccc1 470387927 GSXUUENDVUQNCH-TZIWHRDSSA-N 432.589 5.885 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 471307310 VYWQXJHOHQYODQ-UHFFFAOYSA-N 429.908 5.312 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1 474359427 XTWRKCAMOLUQIX-DEOSSOPVSA-N 444.510 5.186 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1 476119707 IYFFNWAYWICNKC-UHFFFAOYSA-N 446.638 5.273 30 20 IKED COc1ccc(CSc2nnc(SCCCOc3cccc(C#N)c3)s2)cc1 477547863 HXACQFFWLLWOGT-UHFFFAOYSA-N 429.592 5.272 30 20 IKED Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 481098561 BHSHJCPDYXMEKG-UHFFFAOYSA-N 448.910 5.139 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCc4[nH]c5ccccc5c4C3)cc2F)c1 481601949 ZCPYAZCWIMFWSA-UHFFFAOYSA-N 440.478 5.348 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)Nc1cn(C)nc1C(C)C 482898370 PFWZDEKJVLZFHA-UHFFFAOYSA-N 437.569 5.134 30 20 IKED CN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 482985777 CCEXMIWHQYNRLK-QHCPKHFHSA-N 432.886 5.622 30 20 IKED C=CCn1c(SCC(=O)N(CC)c2nc3ccccc3s2)nnc1-c1ccccc1C 488928775 HOIUOPVUEAQBFV-UHFFFAOYSA-N 449.605 5.194 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)cc1 489537207 MHDMHLBPBLIOKL-RTBURBONSA-N 432.549 5.292 30 20 IKED C=CCC[C@H](C(=O)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn23)C1)c1ccccc1 494884984 CSOJLSRLJRFJFT-ICSRJNTNSA-N 442.485 5.204 30 20 IKED N#Cc1cccc(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 500234193 VHUURKSCBQZAED-UHFFFAOYSA-N 438.409 5.151 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 502058592 QISRRWVIPUEDHX-LJQANCHMSA-N 432.528 5.314 30 20 IKED Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1Cc1ccccc1C(C)(C)C#N 502333798 CGDTUOCLIQLMTR-XMMPIXPASA-N 432.543 5.003 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(SC4CCCC4)cc3)CC2)c1 502679075 KMAFPLROCZBVKN-UHFFFAOYSA-N 448.592 5.476 30 20 IKED C=CCN(C(=O)c1nc(C)n(-c2ccccc2C(C)C)n1)c1nc(-c2ccccc2)cs1 503251113 LWFFFMDIWWFQIC-UHFFFAOYSA-N 443.576 5.655 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCCC[C@@H]3Cc3ccccc3)s2)cc1 503257724 GAJCTXYBUUXCQN-HXUWFJFHSA-N 449.605 5.331 30 20 IKED CC[C@@H](C)n1c(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nnc1-c1ccccc1 504320889 KHXHMHSBSYJLLU-PYQXHLOTSA-N 439.629 5.328 30 20 IKED C=CCC[C@H](NCc1nnc(C(=O)Nc2ccccc2)s1)c1ccc(C(F)(F)F)cc1 505465075 QVLCFFRNYVRGBX-SFHVURJKSA-N 446.498 5.606 30 20 IKED COc1cc(NC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(OC)c1 505770871 ISPCSHXYSOTLTA-INIZCTEOSA-N 448.331 5.380 30 20 IKED C=CCn1c(Cc2ccsc2)nnc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1 508886237 YKKPUALGEFWGHO-UHFFFAOYSA-N 439.972 5.295 30 20 IKED CCSc1ccc([C@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 509211655 NEUABTFCPLZTPH-IBGZPJMESA-N 445.588 6.326 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C[C@@H]1Sc2ccccc2NC1=O 510237664 DKMPHUKBJSTQDT-QFIPXVFZSA-N 429.501 5.101 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2Cl)C(C)C)nnc1-c1ccc(F)cc1 510581228 RYVNNFLNYXQPCY-LJQANCHMSA-N 444.963 5.679 30 20 IKED C=CCOc1c(Br)cc(CNc2ccc(NC(=O)CC(C)C)cc2)cc1OC 512969453 YRNMKZYXVDDPMH-UHFFFAOYSA-N 447.373 5.619 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)cc1 515650712 LGSFDQKQASSWMI-UHFFFAOYSA-N 435.527 5.307 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](c1ccco1)N1CCCC1 517684594 OWEUTAPYRGCRMY-HSZRJFAPSA-N 430.508 5.211 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(Br)cc1F 517777898 NBIKLEHDXHKGJX-CHWSQXEVSA-N 436.350 5.723 30 20 IKED COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 518755615 LDCKOOBRGPJXBC-DOTOQJQBSA-N 444.988 5.143 30 20 IKED CCCc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)C(C)C)cc1 520846944 QGQOMFKISGUBGE-FDDCHVKYSA-N 437.609 5.343 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCc4sccc4[C@H]3c3cccs3)cc2)nc1 521085791 BKBWBUHRJTVACB-QHCPKHFHSA-N 443.553 5.656 30 20 IKED CCO[C@@H](C)c1nc(CC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cs1 522670485 QOLYRFIVAXTWPW-KRWDZBQOSA-N 437.540 5.023 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](c1ncccc1C)C(C)C 523766446 JZWVXFUJVZTTIF-DEOSSOPVSA-N 428.536 5.668 30 20 IKED Cc1ccc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c(Br)c1 534362310 BFMKPPVRHUGPHX-JOCHJYFZSA-N 435.321 5.331 30 20 IKED COc1ccc(C[C@@H](C)CN(C)C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1 536454147 STHDLSBCRUYMOQ-LJQANCHMSA-N 444.579 5.040 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc4c(C)ccnc4[nH]3)c3cnn(C(C)C)c3n2)cc1 537475005 IZFNNTOJWUELRU-LJQANCHMSA-N 449.518 5.057 30 20 IKED COc1ccc([C@@H](NCCCC2(C#N)CCOCC2)c2ccccc2Cl)c(OC)c1 537507826 UWLKPZLMAQDHNF-QHCPKHFHSA-N 428.960 5.137 30 20 IKED CC(C)(C)c1cc(NC(=O)c2cc(C(F)(F)F)ccc2Br)c(C#N)s1 538074205 ZAMGGQYHGDFSBR-UHFFFAOYSA-N 431.277 5.951 30 20 IKED C=CCC[C@@H](NCc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1)c1ccccc1 538259100 YGUKIKJLVMFZRP-JOCHJYFZSA-N 425.985 6.278 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)Cc2cccc(OCc3cccnc3)c2)cc1 539097687 WHXLCUYCSLSPHU-UHFFFAOYSA-N 433.511 5.058 30 20 IKED COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2Cc2nnc(-c3cccc(C#N)c3)o2)c1 541330555 OXKPTZQWEPAWME-AOYPEHQESA-N 436.515 5.348 30 20 IKED C[C@H](NC(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1)c1ccc(-c2cccc(C#N)c2)cc1 542080658 JGLPREPPLYJAOM-CNVLFFCLSA-N 425.532 5.363 30 20 IKED COc1cc(CNc2cc(CC#N)ccn2)ccc1OCc1ccc(Br)cc1 547341357 NEKSQDVDDSZTMK-UHFFFAOYSA-N 438.325 5.110 30 20 IKED C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@H](C2CCOCC2)C1 549277547 HLUUNLSQMMGMDK-NRFANRHFSA-N 449.624 5.206 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)(C#N)CC3)n2Cc2cccs2)c1 549948658 VMCOFXUIUFTHRK-UHFFFAOYSA-N 449.624 5.529 30 20 IKED C=C(C)Cn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N1CCC[C@H](COC)C1 558996771 RNYNSLDMIJTVEA-IBGZPJMESA-N 443.551 5.192 30 20 IKED CSc1nc(C2CC2)cc(-c2nc([C@@H](F)c3ccc(C(F)(F)F)cc3)no2)c1C#N 566646207 NBQMYLHOXQGREA-INIZCTEOSA-N 434.418 5.680 30 20 IKED C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H]([C@H]2CCOC2)C1 573546316 YIKDVEWDYBEOIW-ROUUACIJSA-N 433.021 5.053 30 20 IKED COc1ccccc1-c1csc(C2CCN(C(=O)c3ccc(Cl)c(C#N)c3)CC2)n1 574892565 RVOMDYDRCSCWIO-UHFFFAOYSA-N 437.952 5.364 30 20 IKED O=C(Nc1cccnc1C(F)(F)F)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 579057215 SVZUIEJZFMLQKF-LLVKDONJSA-N 431.258 5.544 30 20 IKED CCSc1cccc(Br)c1NC(=O)N(CCOC)Cc1ccc(C#N)cc1 580501438 CINMAVFTWISSED-UHFFFAOYSA-N 448.386 5.113 30 20 IKED C[C@@](C#N)(NC(=O)c1ccc(COc2ccc(Br)cc2)o1)C1CCCCC1 581329861 HYZRULBPLGQIKS-NRFANRHFSA-N 431.330 5.213 30 20 IKED CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 581717608 JRTBEMZOYWPNFQ-CJAUYULYSA-N 447.510 5.368 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)CC2)c(F)c1 582622894 WGIIXSVGGCZITC-DLBZAZTESA-N 433.310 5.178 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ccc(N2CCc3sccc3C2)nc1)c1ccccc1 590105004 KKGMGIQGNLGGKU-NRFANRHFSA-N 431.565 5.262 30 20 IKED COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603673430 VYIAHRNXQBDDPY-OAQYLSRUSA-N 442.906 5.442 30 20 IKED CCN(C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1)[C@H](C)c1ccc(C#N)cc1 603726707 XHIDPWZCXPIBDT-QGZVFWFLSA-N 442.544 5.463 30 20 IKED CC[C@H](C)n1ncc2c(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cc(C)nc21 604567029 XKYHOWKGAXTLDZ-INIZCTEOSA-N 426.480 5.022 30 20 IKED CC(C)Oc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c(C(F)(F)F)c1 609188955 QLDCYUBIGUQHGH-UHFFFAOYSA-N 444.409 5.789 30 20 IKED C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1cc2ccccc2n1CC#N 609216295 HVFYXIKQLYKGEV-CALCHBBNSA-N 448.954 5.474 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1 609377093 OJVRUBOVSHXBRT-URHOCTSQSA-N 447.604 5.350 30 20 IKED N#CCCn1cc(CNC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(-c2ccccc2)n1 609598441 KJSORCLBAJNQEE-IAGOWNOFSA-N 444.423 5.463 30 20 IKED CC(=O)Nc1c(C)ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1C 609723726 XXAUHQMGIJDWIK-UHFFFAOYSA-N 433.895 5.832 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3ccccc3OC3CCC3)c2)c1 609826678 QCDVUOSJAWCPRO-UHFFFAOYSA-N 440.503 5.064 30 20 IKED CN(CC(C)(C)C)C(=O)c1cccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1 610171830 VMVBRPCOHTVRJR-UHFFFAOYSA-N 442.519 5.116 30 20 IKED COc1cccc(C=C2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)CC2)c1 610766961 XKHVSZCBQPQEBA-UHFFFAOYSA-N 440.503 5.465 30 20 IKED CN(Cc1c(F)cccc1Cl)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612804223 GALRQNHFRHMZMN-NXEZZACHSA-N 434.783 5.530 30 20 IKED Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)s1 618045010 NRVRZNROSRRXKZ-UHFFFAOYSA-N 447.516 5.066 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618539989 KCGBVLPVFKXNLP-GASCZTMLSA-N 446.416 5.743 30 20 IKED CCOC(=O)c1sc(NC(=O)c2ccc3nc(-c4ccccc4)oc3c2)c(C#N)c1C 619515219 BNHLVLPVFFYHIE-UHFFFAOYSA-N 431.473 5.165 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)c(C(F)(F)F)c1 620692004 VNEYGPXUAMQKJA-IUCAKERBSA-N 425.266 5.484 30 20 IKED C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC([C@H]2CCOC2)CC1 670222572 FRCBMXUMWJXZEO-SFHVURJKSA-N 433.021 5.053 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C 726698087 BXVACGCZEMTFDT-UHFFFAOYSA-N 425.504 5.343 30 20 IKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(CCCCC#N)C2=O)cc1 728777748 NTZRQNPCSMEIJF-JOCHJYFZSA-N 448.592 5.266 30 20 IKED CC(=NNc1ncnc2c1cnn2-c1ccccc1)c1csc(-c2csc(C)n2)c1 729142692 YFAYRLGXASGNTN-UHFFFAOYSA-N 431.550 5.145 30 20 IKED CCc1cc(C#N)c(NC(=O)c2sc3cc(Br)ccc3c2Cl)s1 729823967 CKFMHSMGLXHDMU-UHFFFAOYSA-N 425.760 6.065 30 20 IKED Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c(F)c1 730376096 RMSRSGDQFNXGAL-HNNXBMFYSA-N 436.414 5.121 30 20 IKED Cc1csc(SCc2ccc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)cc2)n1 730416695 GVWIMTOKNLUTAS-INIZCTEOSA-N 439.562 5.983 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)s1 730953701 PVLPMEYYKLRHRV-AWEZNQCLSA-N 426.592 5.188 30 20 IKED COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 732379513 KDTSJPONUSGLQW-SFHVURJKSA-N 444.487 5.046 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1 732636499 UGUFVLWGEKDIEM-QHCPKHFHSA-N 433.414 5.069 30 20 IKED C#CCN(C(=S)Nc1cc(C)ccc1F)[C@H]1CCOc2ccc(Br)cc21 733087651 VNLBRXDXMRHTCL-SFHVURJKSA-N 433.346 5.052 30 20 IKED COc1cc(COC(=O)c2ccc(-c3cnco3)cc2)ccc1OCc1cccc(C#N)c1 735134683 HZSSLNTYIHTITQ-UHFFFAOYSA-N 440.455 5.158 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)CCCCOc3ccc(Br)cc3)[nH]c12 735788269 CIJZVUOHIQVHAB-QGZVFWFLSA-N 426.314 5.059 30 20 IKED Clc1cccc(C=NOCc2nc(-c3cc(Br)cs3)no2)c1Cl 736296637 LCEQDIISNGAENG-UHFFFAOYSA-N 433.114 5.418 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)NCc3nc4cc(Cl)ccc4s3)c2)s1 740038337 LDYUYYRZHYWRTM-UHFFFAOYSA-N 438.965 5.549 30 20 IKED Cc1cccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1C(=O)N1CCCC1 740435783 VALJUDKPQSVKCZ-UHFFFAOYSA-N 444.560 5.153 30 20 IKED CC(C)(C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc([N+](=O)[O-])cc1 740531514 XYVWXQUCZNKNPI-CQSZACIVSA-N 433.411 5.377 30 20 IKED CCOc1ccccc1OCCON=C(Cc1nc2ccccc2n1C)c1ccccc1 742357431 DBBUDYHYBDUEHS-UHFFFAOYSA-N 429.520 5.014 30 20 IKED Cc1cccc(F)c1CNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 742724357 FQZYRCNCLFSBAT-UHFFFAOYSA-N 445.338 5.287 30 20 IKED CC(=NNc1nc2cc(C(F)(F)F)ccc2s1)c1ccc(NC(=O)NC(C)C)cc1 743445514 YMHXTQPJXFIBNC-UHFFFAOYSA-N 435.475 5.681 30 20 IKED C=CCN(C(=O)c1cc(OCc2ccccc2)ccn1)c1nc(-c2ccccc2)cs1 744353035 MNNPMOMVKVKZIK-UHFFFAOYSA-N 427.529 5.617 30 20 IKED Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)OC(=O)c4sccc4C#N)cc3)sc2c1 748099930 GGQVWLJYBPMTFD-AWEZNQCLSA-N 447.541 5.389 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@H](O)c1cccc(F)c1 752645633 MZIKLQPGWQYYAZ-XFEAKLGESA-N 437.902 5.378 30 20 IKED Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1sc(Cl)nc1Cl 755523558 GPMLPVFBZXJIFI-UHFFFAOYSA-N 425.153 5.186 30 20 IKED O=C(/C=C/c1cc(Br)cc(C(F)(F)F)c1)c1ccc(N2CCOC2=O)cc1 759076649 OCKSWHOCBOIVDL-LZCJLJQNSA-N 440.215 5.321 30 20 IKED CCOc1cc(/C=C\C(=O)c2cc(OC)c(OC)cc2F)ccc1OCC(F)(F)F 760262492 AMRYIOMEUWKOCU-ALCCZGGFSA-N 428.378 5.079 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3c(Cl)ccc(Cl)c3Cl)CC2)c1 761604108 NODUSKHPXKYXSH-UHFFFAOYSA-N 436.726 5.009 30 20 IKED Cc1cc(COc2ccc(C(=O)OCCCCC(C)(C)C#N)cc2Br)on1 768643982 LDGUBLZRQWGLRB-UHFFFAOYSA-N 435.318 5.201 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)N(Cc1ccccc1Br)C1CCCC1 768998756 KIHGCFWPQBTNDL-UHFFFAOYSA-N 446.320 5.467 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N(C[C@@H](O)c3ccc(F)cc3)C3CC3)cc2)cc1 771643442 IQCUOQNGWAXLGS-RUZDIDTESA-N 430.479 5.022 30 20 IKED Cc1ccc(-c2cc(C(=O)Nc3ccccc3O[C@@H](C)C#N)c3cnn(C(C)C)c3n2)s1 780158361 AUMMCESVSXJKTF-HNNXBMFYSA-N 445.548 5.592 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1 780748952 KRGLQQJYKWHDDV-XDHUDOTRSA-N 436.964 6.092 30 20 IKED COc1ccc2cc(-c3cc(C(=O)N4CCC(C)(C#N)CC4)c4ccccc4n3)ccc2c1 780780693 ZZBBOKAXBYPPTA-UHFFFAOYSA-N 435.527 5.829 30 20 IKED N#CCC1CCN(Cn2nc(-c3cccs3)n(-c3ccc(Cl)cc3)c2=S)CC1 781572817 WHQMDZJNWNDOMG-UHFFFAOYSA-N 430.002 5.368 30 20 IKED C[C@H](NC(=O)c1ccc(CN2CCCCC2=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 782488234 SQZTUDNVZAHMBI-FQEVSTJZSA-N 437.543 5.229 30 20 IKED C=CCCN(Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1)OCc1ccccc1 782669019 JCXBOMOKIQFJLC-UHFFFAOYSA-N 435.593 5.954 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cccc(OC(F)(F)F)c3)n2)cc1 784498478 KBJCEUOCNJLILF-QGZVFWFLSA-N 432.423 5.136 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OCCCC)cc2)[n+]2ccc(C)cc2)c1 789401785 MXAMUARMVSOOIR-UHFFFAOYSA-O 443.592 5.766 30 20 IKED COCCC[C@H](Cc1ccccc1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 791751068 MWOVSYDOUAJTJW-FTJBHMTQSA-N 427.548 5.501 30 20 IKED CN(C)c1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)c(C(F)(F)F)c1 794483850 OWLHRJYLEPQEIL-UHFFFAOYSA-N 439.894 5.191 30 20 IKED CC[C@@H]1[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)CCN1C(=O)OC(C)(C)C 810534143 HXGVYCSWMKEIEP-YQVWRLOYSA-N 425.554 5.022 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)OC(=O)c1cccc(C#N)n1 810593056 RJGBSVPTCVBOAI-LBPRGKRZSA-N 428.311 5.066 30 20 IKED C#C[C@H](NC(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1)c1ccc(F)cc1 812926424 FELHMATTYCLTMY-QFIPXVFZSA-N 435.886 5.252 30 20 IKED CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813213808 QGBIJTHMJSLZSK-BRWVUGGUSA-N 439.478 5.140 30 20 IKED C=CCn1c(COc2ccccc2F)nn(CN(C)[C@H]2CCCc3ccccc32)c1=S 818259758 KLRKCDOMLBSIOK-NRFANRHFSA-N 438.572 5.285 30 20 IKED C[C@@H](Sc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 913427525 PXGVIQAHJWQPTB-RXMQYKEDSA-N 449.750 6.174 30 20 IKED CN(Cc1ccc(C#N)cc1)Cn1nc(Nc2cccc(Br)c2)sc1=S 914783298 RXWMXXKMFDVDMB-UHFFFAOYSA-N 446.399 5.141 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc1 915353516 OCVVKXVUXIRNCW-VWNXMTODSA-N 431.561 5.617 30 20 IKED COc1cc(/C=C/C(=O)c2cc3cc(Br)ccc3o2)c([N+](=O)[O-])cc1OC 916130571 XCHXDKNRDPPLET-HWKANZROSA-N 432.226 5.017 30 20 IKED C=CCOc1c(Br)cc(/C=C/C(=O)c2cccc(NC(C)=O)c2)cc1OCC 916137903 NNKLIQMBDQEYHN-MDZDMXLPSA-N 444.325 5.267 30 20 IKED CC(C)c1ccccc1OCC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916904325 AHECIHXSLULUQV-NRFANRHFSA-N 428.488 5.329 30 20 IKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cccc(CSc2ccc(C)cc2C)c1 916929555 AUQUNRQRODHUQQ-OAQYLSRUSA-N 444.556 5.566 30 20 IKED N#C[C@H](C(=O)C1=Cc2ccccc2OC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997150 RXFRYLITAMQGQK-MRXNPFEDSA-N 427.312 5.769 30 20 IKED N#C[C@H](C(=O)CSc1cccc2cccc(Cl)c12)c1nc2ccccc2n1C(F)F 917039889 HDUAQHQHOWSVEQ-CQSZACIVSA-N 441.890 6.207 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNC(=S)Nc2ccc(C)cc2)cs1 917534611 VOHDKEGDJVWSLO-UHFFFAOYSA-N 443.985 5.110 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(C2CC2)C1=O)Nc1ccccc1F 917702847 WFNAMVVCWCOSQH-NRFANRHFSA-N 433.508 5.102 30 20 IKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CC2)c1 917715461 YGILRFJFJNQOOP-HXUWFJFHSA-N 425.529 5.072 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(CC[C@@H]2C[C@H]3CC[C@H]2C3)C2CC2)cc1 918466445 FCCOSEXQBVFMIB-AHMOOEFLSA-N 441.575 5.098 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)Cc1csc(-c2ccc(Cl)s2)n1 920016134 ALYMBSIWJVOXRN-UHFFFAOYSA-N 439.345 5.597 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)COC(c3ccccc3)c3ccccc3)n2)cc1 920140492 HMBWSOXMUTUHPK-HSZRJFAPSA-N 449.535 5.664 30 20 IKED COc1cc(C=NN(C(=S)Nc2cccc(Cl)c2)C(C)(C)C)ccc1OC(C)=O 920385559 SJGIAIVXOUHEGX-UHFFFAOYSA-N 433.961 5.105 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccoc4s3)CCC2)cc1 1790564660 KBCKMYUTTMMRMB-OAHLLOKOSA-N 439.537 5.043 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](CC)c2ccccc2)[C@@H]1c1cccnc1 1802497494 PJEASVZUILVKBQ-CCDWMCETSA-N 447.623 5.274 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc4[nH]ccc4s3)CC2)C1 1804858488 GKEQEENCBWRQPF-UHFFFAOYSA-N 427.614 5.067 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)[C@@H]1c1cccnc1 1810182585 OZOQNKPEWSKSHM-LYIXCCSJSA-N 437.628 5.072 30 20 IKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3cccc(Cl)c3)CCCC2)[nH]n1 1822402439 RASUIYLNWZBXKT-HXUWFJFHSA-N 440.975 5.143 30 20 IKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)[nH]n1 1822581128 KDTXTPCVRUFJQO-SFHVURJKSA-N 447.366 5.216 30 20 IKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)s1 1823212081 SDVMKYYXKVFVSI-YWZLYKJASA-N 447.564 5.026 30 20 IKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1 1824958724 CEULQRGMGYAICH-IQFVJIFQSA-N 446.701 5.132 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2)CC1 1826500872 ABWMPAQPDCSVMH-BJKOFHAPSA-N 443.031 5.271 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)CC1 1831859214 IGIJBUIOHPSEDU-AREMUKBSSA-N 430.592 5.471 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(CC)cc2)cc1 10173486 TVIWYGXLVJFQCJ-UHFFFAOYSA-O 439.551 5.818 30 20 IKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc(Br)cc2)[n+]2ccccc2)c1 20834567 SPNPVLGJPUKPHH-UHFFFAOYSA-O 440.386 5.404 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nnc1-c1cccc(C)c1 21961197 YYXGCDZLEAMHCO-UHFFFAOYSA-N 448.470 5.069 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2ccc(C)cc2C)cc1 22729557 TUAIWNHSEVSRCU-UHFFFAOYSA-O 448.568 5.421 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)NCc2ccccc2)cc1 22730667 LSKHVXUSSZIMME-UHFFFAOYSA-O 444.407 5.572 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(C(C)(C)C)cc2)cc1 22730895 QHOUJRSJSSXUAX-UHFFFAOYSA-O 439.551 5.909 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)NCCc2ccccc2)[n+]2ccc(C(C)(C)C)cc2)cc1 22735355 YPVUFMWIYCURBB-UHFFFAOYSA-O 431.625 5.351 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2Cl)C(C)C)nnc1-c1ccoc1C 32324881 AFSAXXHSUQONCZ-GOSISDBHSA-N 430.961 5.441 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)nnc1-c1ccccc1 39221709 SYVJWISTRLZTRR-IBGZPJMESA-N 447.608 5.241 30 20 IKED CCCOc1c(Br)cc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1OC 60488213 PIXKOANIURYTGD-CYBMUJFWSA-N 445.338 5.346 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc(-c3ccc(C)cc3C)nc2C)cc1 63598446 QOPJDNXJZNVPDN-UHFFFAOYSA-N 445.588 5.802 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1sc2cccc(F)c2c1COc1ccccc1 64455989 VYMLVPJNZKQKBF-UHFFFAOYSA-N 432.476 5.752 30 20 IKED N#Cc1c(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)sc2c1CCCC2 105570063 NYDHSGCNNJXMFJ-UHFFFAOYSA-N 444.585 5.691 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(F)cc2Br)cc1 116525227 QQDBGDANTWKIEV-UHFFFAOYSA-N 441.256 5.513 30 20 IKED CC(C)c1noc2ncc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc12 195640050 OFJXFCBZTYPYGH-UHFFFAOYSA-N 426.476 5.244 30 20 IKED CC[C@@H](C)C(=O)Nc1cccc(CNCc2cccc(OCc3cccc(C#N)c3)c2)c1 237007014 JTOPHQGHKVWYOQ-HXUWFJFHSA-N 427.548 5.412 30 20 IKED Cc1nc(C)c([C@H](C)N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)s1 303278460 HVZRUHFKSBJTLG-KRWDZBQOSA-N 427.618 5.187 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1 303399282 QLJXLOBTJFEZRT-OAQYLSRUSA-N 436.298 5.439 30 20 IKED CCC(CC)[C@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccccc1 409515885 VFJSKFQEZQOMKY-DEOSSOPVSA-N 432.568 5.096 30 20 IKED C=CCCc1ccccc1NC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1 410376265 UTWSUOSIVJUKEN-UHFFFAOYSA-N 434.536 5.927 30 20 IKED Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)Nc2cccc(C#N)c2C)C3)cc1 431952122 PQXDENROACFWGG-UHFFFAOYSA-N 439.519 5.409 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(CC(=O)Nc1ccccc1SCC#N)C1CC1 435637924 ORKUSPSLKDQUSE-HNNXBMFYSA-N 433.499 5.485 30 20 IKED C=C(C)Cn1c(S[C@H](Cc2ccc(Cl)cc2F)C(C)=O)nnc1-c1ccncc1 436200657 YPVFZROERUAWAB-LJQANCHMSA-N 430.936 5.001 30 20 IKED COc1cc(CS(=O)(=O)[C@H](C)c2cccc(C)c2)ccc1OCc1cccc(C#N)c1 437233550 QBERVUWZNBMSAZ-LJQANCHMSA-N 435.545 5.130 30 20 IKED N#CCC[C@H](NC(=O)Nc1ccc(Br)cc1C(F)(F)F)c1ccccc1 439306834 UNRKOXVWDGJUJQ-HNNXBMFYSA-N 426.236 5.634 30 20 IKED COc1ccccc1Oc1ccc(N[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 439545966 FQVXABROCNSJOH-SFHVURJKSA-N 433.483 5.374 30 20 IKED C=CCC[C@H](NC(=O)CCc1c(C)nc(O)c(C#N)c1C)c1ccc(C(F)(F)F)cc1 441580861 KBPCQMLIJAAAJO-FQEVSTJZSA-N 431.458 5.051 30 20 IKED C[C@@H](O)C[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 443920214 BLUDHYNWKXBJPI-KDOFPFPSSA-N 433.430 5.137 30 20 IKED Fc1ccccc1-c1noc(CN[C@@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)n1 444611648 GIOIWPUFFWXZGB-HNNXBMFYSA-N 435.299 5.168 30 20 IKED CCCC(C#N)(CCC)NC(=O)c1oc2ccccc2c1CSc1nnc(C)s1 446744120 MNHOHMJPAZKXAJ-UHFFFAOYSA-N 428.583 5.477 30 20 IKED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 460774351 BZTFSOYLUYBACB-KLHJMIIUSA-N 438.469 5.046 30 20 IKED N#Cc1cc(NCc2nc(-c3ccoc3)no2)ccc1Oc1ccc(C(F)(F)F)cc1 462171360 RFAXGTAGOJDLDF-UHFFFAOYSA-N 426.354 5.624 30 20 IKED Cc1ncsc1-c1nc2ccccc2n1CC(=O)Nc1ccccc1SC[C@H](C)C#N 463752633 UFVREMXWWOCOKP-OAHLLOKOSA-N 447.589 5.359 30 20 IKED C=CCC[C@H](NC(=O)N1CC[C@](CO)(c2ccccc2)C1)c1ccc(C(F)(F)F)cc1 464373287 INACSUQWVRFRJA-GMAHTHKFSA-N 432.486 5.058 30 20 IKED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(OCc2ccccc2)c1 469057069 QXOHFEMBZBNBQO-OAQYLSRUSA-N 439.559 6.022 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3cccc(-c4c(F)cccc4F)c3)ccc21 469975001 UHLRFOTYGCMREJ-UHFFFAOYSA-N 445.469 5.467 30 20 IKED N#CCCn1ccc(NC(=O)Nc2ccc(Oc3cc(Cl)ccc3Cl)c(F)c2)n1 470339880 FAJGVDGQSMIPIU-UHFFFAOYSA-N 434.258 5.679 30 20 IKED Cc1c(C)c(C)c(CNC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c(C)c1C 470528902 CJJHMWAFNVOGPA-UHFFFAOYSA-N 432.568 5.133 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 473641584 OISOSVOYXFYHKM-RLWLMLJZSA-N 448.636 5.601 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](CCO)c1ccccc1Br 475544329 AYCGFYGACWMJOU-FQEVSTJZSA-N 431.374 5.546 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(OC)c(I)c1 476089007 DUXDHLOHHLOZAZ-UHFFFAOYSA-N 435.305 5.404 30 20 IKED CCN(C(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O)[C@@H](C)c1ccc(C#N)cc1 476720280 SKJSHJSUIHFXAP-AWEZNQCLSA-N 437.902 5.224 30 20 IKED C=C(C)[C@@H](NC(=O)N[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1)c1ccc(F)c(F)c1 477175028 GNIBRXWMBREGMV-ORAYPTAESA-N 430.430 5.140 30 20 IKED Cc1ccc2c(N[C@@H]3CCOC4(CCSCC4)C3)c(C#N)cnc2c1Br 480080865 MGAWUPRVYYAELG-OAHLLOKOSA-N 432.387 5.034 30 20 IKED O=C(Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)c1c(F)c(F)cc(F)c1F 480856223 UUWWVHPTIJHPHM-UHFFFAOYSA-N 430.279 5.701 30 20 IKED C[C@@H](Nc1ccc(C(=O)[C@@H](C#N)c2nccc3ccccc23)cc1[N+](=O)[O-])c1ccccn1 483230335 PSIPUYOZTIONJI-UZLBHIALSA-N 437.459 5.201 30 20 IKED CSc1cccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1[N+](=O)[O-] 485743711 SATZWDSRKJKEFW-UHFFFAOYSA-N 433.489 5.214 30 20 IKED N#CCCC[C@H](NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1)c1ccccc1 487604123 NXMARNNCAQBBHT-IBGZPJMESA-N 444.318 5.725 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3[C@H](C)CC)o2)cc1 489788260 PNXTWNMCAUDDEC-SJORKVTESA-N 437.565 5.934 30 20 IKED CC(C)Cn1ncc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1C1CC1 497665488 FUNVGWACFCGUDV-UHFFFAOYSA-N 445.542 5.662 30 20 IKED Cc1cc(-c2cc(C(=O)[C@H](C#N)c3nc4ccccc4o3)c3c(C)noc3n2)c(C)s1 498704845 ZAOCFADUKDNDIW-INIZCTEOSA-N 428.473 5.508 30 20 IKED C[C@@H](Nc1cccc(NC(=O)c2ccoc2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 500391303 CHWJMVMPJPRGEC-OAHLLOKOSA-N 448.548 5.173 30 20 IKED Cc1ccnc2sc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c(C)c12 501423139 LTVOSOLIFYVMPE-UHFFFAOYSA-N 427.529 5.811 30 20 IKED CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 503297675 YLDDRDMHWZFMPH-KKSFZXQISA-N 444.000 5.528 30 20 IKED COc1ccc(NC(=O)CSc2nc(-c3ccc(C)o3)cc(C(F)(F)F)c2C#N)cc1 504555207 NPUCFNNLWNRBON-UHFFFAOYSA-N 447.438 5.280 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@H](Oc3ccccc3C#N)C(C)C)s2)cc1 505108540 FPFYUZXGZRKJPA-OPAMFIHVSA-N 449.576 5.280 30 20 IKED N#C[C@@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1ccccc1Cl 505628843 BAVWNWQRBHLCQF-LJQANCHMSA-N 444.844 5.417 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2OC)cc1 507815368 ZVHWOQQWSUIDQZ-ROUUACIJSA-N 445.519 5.046 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1Cl 510023626 NUMIBNIYZQBDAT-NRFANRHFSA-N 448.929 5.489 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3c(C)nn(-c4ccc(F)cc4)c3C)n2)cc1 512505533 ZEQIYRVNUBDNFL-HXUWFJFHSA-N 446.507 5.250 30 20 IKED N#C[C@H](C(=O)c1ccccc1OCc1ccccc1Br)c1nc2ccccc2o1 515597223 BJFQKDJZLIJNKG-QGZVFWFLSA-N 447.288 5.659 30 20 IKED C[C@H]1CCCN(c2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2[N+](=O)[O-])C1 519515729 UAFYTZKGKJAXLJ-DLBZAZTESA-N 438.553 5.478 30 20 IKED CCN(C(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C)[C@@H](C)c1ccc(C#N)cc1 520707011 WAKAVPDQDGNAMO-NRFANRHFSA-N 428.580 5.271 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 521259137 IWBPUSLJDOIFMG-KRWDZBQOSA-N 448.592 5.027 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)cc1 521696856 DJQBQYIIXYRKON-QGZVFWFLSA-N 434.565 5.225 30 20 IKED N#Cc1ccc(NC(=O)C(=O)Nc2cccc(Oc3ccnc4ccccc34)c2)cc1Cl 527386736 NZFFNMLLDKSMGI-UHFFFAOYSA-N 442.862 5.129 30 20 IKED CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2Cc1ccc(-c2ccccc2C#N)cc1 537528282 ISCGCMZAMQWYNO-ZVBBVAIHSA-N 435.571 5.493 30 20 IKED Cc1cc(Br)cc2c1CN(C(=O)Nc1ccccc1S[C@H](C)CC#N)CC2 538201948 PLBHISVWJOAEOL-OAHLLOKOSA-N 444.398 5.742 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NCc1cc(C#N)ccc1F 541645354 PPEPAKJMLRDTLL-GFCCVEGCSA-N 430.346 5.743 30 20 IKED Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 542967815 CUMJWVFCPREATD-UHFFFAOYSA-N 438.274 5.267 30 20 IKED Cc1nc2c(s1)[C@@H](N(C)C(=O)N[C@@H](C)c1ccc(-c3cccc(C#N)c3)cc1)CCC2 543019011 XHODYERPTVYHRB-HJPURHCSSA-N 430.577 5.770 30 20 IKED O=C(Nc1ncc(C(F)(F)F)s1)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 548995882 RKDKFTSCYIHURW-VIFPVBQESA-N 435.296 5.188 30 20 IKED COc1cccc(CN(C)C(=O)Nc2ccc(CC#N)cc2)c1OCc1ccccc1F 549189810 GAGLVKQLCYGVKO-UHFFFAOYSA-N 433.483 5.143 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cc2nc(C(C)C)no2)cc1 549369191 QWFRQQRMWMYXJH-UHFFFAOYSA-N 431.540 5.346 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 549654917 GMWZOUWREHZGBG-UHFFFAOYSA-N 444.579 5.263 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccccc1CN1CCc2ccccc21 554168113 MDMNHRNZDNVZMD-UHFFFAOYSA-N 443.595 5.637 30 20 IKED CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(=Cc2cccc(F)c2)CC1 555306976 JNDLJOPBLLKURE-UHFFFAOYSA-N 445.542 5.066 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(C#N)c(Br)c3)CC2)c(C)c1 557462013 WIPPIDKIRFAZCF-UHFFFAOYSA-N 440.341 5.064 30 20 IKED C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 558993665 PMHOWOMKZNFNKW-SFHVURJKSA-N 449.505 5.248 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(Br)c(C)c1F 559997041 YTFIPZFKOUKARI-UHFFFAOYSA-N 440.272 5.516 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccn(-c2ccc(Br)cc2)n1 569387170 WMQZTYNFJSNTHQ-CQSZACIVSA-N 441.354 5.139 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](C(F)(F)F)C2(CCC2)C1 569943370 HVTAQQQVKBNXIE-QAPCUYQASA-N 425.520 5.074 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 589622783 MQOYGGYXJIPZSH-NSHDSACASA-N 425.535 5.212 30 20 IKED CN(C(=O)c1cccs1)c1ccccc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 592974676 WVFDFQLIRFHORB-OAHLLOKOSA-N 435.505 5.264 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1NC(=O)c1ccccc1F 592974750 YRLXNPGHWUMKBZ-QGZVFWFLSA-N 447.466 5.625 30 20 IKED Cc1ccc(OC2CCN(C(=O)Nc3cccc(C#Cc4ccccn4)c3)CC2)cc1C 601184892 VWGPYCDHROZOME-UHFFFAOYSA-N 425.532 5.174 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1csc(Cc2ccc(F)cc2)n1 608870615 KOOHNQADQCIGGG-UHFFFAOYSA-N 444.491 5.493 30 20 IKED Cc1csc(CCCCNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)n1 608916052 ZSJXWEWZBTYBLH-UHFFFAOYSA-N 434.565 5.241 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)o1 609022235 YDZHWZGXXBHNIH-UHFFFAOYSA-N 436.880 5.154 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 609060773 DPFXBYRYCSSPAV-XDHUDOTRSA-N 439.515 5.293 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609078845 AHBXJJKZBOSLBV-UHFFFAOYSA-N 438.531 5.761 30 20 IKED N#C[C@H](NC(=O)c1ccc(OCc2cccnc2)cc1)c1ccc(OCc2ccccc2)cc1 609173207 MKMYAVVQHPRPKL-MHZLTWQESA-N 449.510 5.234 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(C(=O)NC4CCCCC4)CC3)c2)cc1 609209885 SDCYUNKHECZCOK-UHFFFAOYSA-N 446.551 5.043 30 20 IKED CC1CCN(c2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2[N+](=O)[O-])CC1 609376823 KGCRZWINCSCSCT-KRWDZBQOSA-N 438.553 5.335 30 20 IKED N#C[C@H](NC(=O)CCCCc1nc2ccccc2s1)c1ccccc1Br 609590074 BJMLOJWRBXDQIM-KRWDZBQOSA-N 428.355 5.153 30 20 IKED C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 609724785 LXPTUYBXFKOHCW-MZNJEOGPSA-N 432.907 5.606 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)c1 609725271 SYRUBAOUZYSIHV-CPJSRVTESA-N 446.934 5.902 30 20 IKED C=CCc1ccc(OCC(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)c(OC)c1 609727115 XCXOSTNDDBQHFY-WJOKGBTCSA-N 441.593 5.023 30 20 IKED COc1cc(CN2CCCC[C@@H]2c2noc(C3CC3)n2)ccc1OCc1cccc(C#N)c1 609739421 HKQVYANAZZFDEU-JOCHJYFZSA-N 444.535 5.133 30 20 IKED Cc1nccn1-c1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 610663618 UXNDREDRGPNEHH-QGZVFWFLSA-N 438.491 5.122 30 20 IKED CCc1c(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cnn1CC(C)C 611140746 JMSYNFXKQASCDW-UHFFFAOYSA-N 431.540 5.391 30 20 IKED Cc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)sc1SCC#N 611200791 CJFXRERPTOHSGX-UHFFFAOYSA-N 434.568 5.262 30 20 IKED N#CCn1c(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc2ccccc21 613373936 AOPJDIRPYSSQFK-UHFFFAOYSA-N 446.869 5.462 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(CC)cc2)nnc1-c1ccccc1F 613389371 REHTZFUTUULCOJ-IAGOWNOFSA-N 438.572 5.191 30 20 IKED COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)[C@H](C#N)c2nc3ccccc3o2)cc1 614439602 AVAVEIAMHNWKMO-NRFANRHFSA-N 448.482 5.238 30 20 IKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4o3)cc12 614439869 RMAAZHMCONKEKS-AWEZNQCLSA-N 432.892 5.680 30 20 IKED CSc1cccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1[N+](=O)[O-] 614459601 XWVZZTXLCIWTQR-LLVKDONJSA-N 437.424 5.435 30 20 IKED C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674459158 HMDNJWHIVSLWQC-FXAINCCUSA-N 447.301 5.489 30 20 IKED Cc1c(Br)ccc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c1F 683959128 GNYWYCFUWQOODD-YUMQZZPRSA-N 437.153 5.101 30 20 IKED CCOc1cc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)ccc1OC 726626645 JARPPRADNNPIRE-GIJQJNRQSA-N 430.938 5.025 30 20 IKED C=CCc1cc(OCC)cc(CN2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1O 727431082 PEAYLCLIDDJTIU-HSZRJFAPSA-N 440.971 5.121 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@@H](C)c1nc2ccccc2n1C(F)F 728062089 DCXULVVDLFGYGO-KRWDZBQOSA-N 432.474 6.364 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(Cl)c3SC(F)F)CC2)cc1 729040687 WZKUNKWBIVJCOU-UHFFFAOYSA-N 437.899 5.602 30 20 IKED N#CCOc1ccc(CNCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 729685533 WVKCXTCHNCVPPI-UHFFFAOYSA-N 440.330 5.438 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)Nc1cccc(OCC#N)c1 730137161 ADUADXUUUMNJAJ-AWEZNQCLSA-N 426.929 5.557 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cccc(Oc2ccccc2)c1 731059611 GQADFNWIONKDMO-SFHVURJKSA-N 446.528 5.526 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cc1ccc(Cl)c(Cl)c1 731063278 PUYWUZZYNOMDHA-CYBMUJFWSA-N 437.348 5.112 30 20 IKED Cc1ccc(N(C(=O)Cc2ccc(OCC#N)cc2)c2nc3ccccc3s2)c(C)c1 731980202 UHVKUVBHDSLEKX-UHFFFAOYSA-N 427.529 5.723 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2occc2CSc2ccccc2)ccc1OC 733227934 FQXQXWOIVQMPCJ-IBGZPJMESA-N 436.533 5.191 30 20 IKED CC(C)(C)OC(=O)N[C@H](CCC(=O)N[C@@H](C#N)c1ccc(Cl)cc1)c1ccccc1 733258662 HWZHBLOYZYEYKB-UXHICEINSA-N 427.932 5.067 30 20 IKED N#CCOc1ccc(COC(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)cc1 733490777 WQRWUVYXZRBLNM-QFIPXVFZSA-N 425.456 5.444 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](C)Oc2ccccc2Cc2ccccc2)c1 733769965 ABSFCVDSNQHQSY-GBXCKJPGSA-N 428.532 5.042 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc3ccc(OCc4ccccc4)cc3[nH]2)c1 733787261 NCIKVBGMMYCLEW-JOCHJYFZSA-N 439.515 5.358 30 20 IKED COc1cc(F)c([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC 734060174 PVFFGKWKIBCZQN-HRAATJIYSA-N 433.483 5.381 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCCCNC(=O)NC2CCCCC2)cc1 734392984 QXYKVPJYQXRALP-RUZDIDTESA-N 446.595 5.473 30 20 IKED C=CC[C@@H](NC(=O)NCc1ccc(-n2nc(C)cc2C)cc1C(F)(F)F)c1ccncc1 734662701 BMQYTWSIBHVOKY-OAQYLSRUSA-N 443.473 5.020 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Oc3ccc(NC(=O)c4ccco4)cc3)c2)c1 734706709 SBTXUQZZGABTNA-UHFFFAOYSA-N 438.439 5.202 30 20 IKED O=C1/C(=C\c2csc(Br)c2)COC/C1=C\c1csc(Br)c1 741448353 VXMMVWYETPFOFV-XUAHRNNFSA-N 446.185 5.401 30 20 IKED Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1 741833399 HIOVQXLCSRRMMC-UHFFFAOYSA-N 446.466 5.489 30 20 IKED COCCOc1cccc(F)c1C(=O)/C=C\c1ccc(-c2ccccc2[N+](=O)[O-])s1 741840802 DZZNGTNTRBVIGF-LUAWRHEFSA-N 427.453 5.384 30 20 IKED Cc1c(Br)cccc1C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 744026340 WGNIZZOIGRJNEB-AWEZNQCLSA-N 439.281 5.033 30 20 IKED C[C@@H](OC(=O)c1cccc(COc2ccccc2C#N)c1)c1nc(Cc2ccccc2)no1 745038913 RUVYBUWOZPCAOK-GOSISDBHSA-N 439.471 5.029 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)cc1 745398961 ORHBFJHCCGUWSG-UHFFFAOYSA-N 431.496 5.004 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)Nc1ccc(F)c(Cl)c1 745723526 AUPCRXYFNHHFKB-UHFFFAOYSA-N 427.907 6.202 30 20 IKED N#C[C@@H](C(=O)CN1CCC(Sc2ccc(Cl)cc2)CC1)c1nc2ccccc2s1 749516419 VDCWNBAAZYUORN-SFHVURJKSA-N 442.009 5.383 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccc(N2CCOC2=O)cc1)c1ccc(C(F)(F)F)cc1 750311712 CWFHSNVONUXOPG-LJQANCHMSA-N 433.430 5.491 30 20 IKED CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)[C@H](C#N)c1nc(C(C)C)cs1)OCC3 759410139 QKEHAHNKEKDGJO-UQBPGWFLSA-N 435.593 5.755 30 20 IKED CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 765590651 XAEBLBMNCRTPHM-HOCLYGCPSA-N 441.459 5.442 30 20 IKED Cn1cc(COC(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(F)F)n1 770320080 BWHMFEBSDYQVCC-IHWYPQMZSA-N 428.279 5.152 30 20 IKED CCOC(=O)/C(=C/c1ccc(OCC#N)c(OC)c1)c1nc(-c2ccc(C)cc2)cs1 776433251 DOUWIMDDKLNTRI-CPNJWEJPSA-N 434.517 5.133 30 20 IKED CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 777295337 DSMNPYVEAWZIQY-UZUQRXQVSA-N 427.570 5.378 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccccc2NC(=O)OCc2ccccc2)c1 781970808 RVHPOIIXRXLWGG-NRFANRHFSA-N 443.503 5.046 30 20 IKED CC(/C=C/C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)=C\c1cccc([N+](=O)[O-])c1 787170769 BNUPMRYXOOROJK-WKURBQFISA-N 425.506 5.154 30 20 IKED N#Cc1ccc(CCC(=O)OCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc1 792752447 HVLKZHJKSHZMBW-UHFFFAOYSA-N 448.931 5.517 30 20 IKED Cc1nc2ccccc2n1C1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 797613893 OCCFPAXLHGGWCI-RUZDIDTESA-N 449.558 5.869 30 20 IKED C=CC[C@H](NC(=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1)c1ccncc1 798414070 DKKBYHIWJDTLEV-SFHVURJKSA-N 437.437 5.268 30 20 IKED CC(C)(CC(=O)c1ccccc1)CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 799605174 ZPNXMMBPQDPAIN-HXUWFJFHSA-N 427.529 5.547 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)c3ccc(C(=O)C(C)C)cc3)n2)cc1 802053483 SDUFIRUMHKLLHL-KKSFZXQISA-N 432.545 5.637 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\Cc3nc(Cl)ccc3C2=O)cs1 806579835 UEITZCNOKIVLGQ-XYOKQWHBSA-N 430.316 5.352 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 806889574 ZKPZXLHKGYITOU-INIZCTEOSA-N 442.951 5.016 30 20 IKED CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)N[C@H](CCC#N)c3ccccc3)cccc21 807006268 VWLGDXWUUICWTF-JOCHJYFZSA-N 448.567 5.219 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@H]2CCCc3c2[nH]c2ccc(Br)cc32)c1 808707484 QBHRLIPCPRTROL-VGSWGCGISA-N 438.369 5.779 30 20 IKED N#CC1(CC(=O)O[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)CC1 815416368 YNPGXHINOIDBMR-GOSISDBHSA-N 436.817 5.276 30 20 IKED CC(=O)[C@@H](OC(=O)[C@H](C)Sc1cc(C)c(C#N)c2nc3ccccc3n12)c1ccccc1 824076495 SQTHUMIBVYKRBW-GAJHUEQPSA-N 443.528 5.022 30 20 IKED CC(C)c1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccccc3)cs2)cc1 900235573 VXIMVZQMVWKIPG-SFHVURJKSA-N 447.560 5.426 30 20 IKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(-c2nc([C@@H]3C[C@H]3C)no2)ccc1Cl 904822222 XIRVHCXOMIBVDI-CXAGYDPISA-N 447.919 5.034 30 20 IKED CCn1cc(C(=O)OCc2ccc(-c3ccccc3C#N)cc2)c(=O)c2cc(Cl)ccc21 914982950 URFLUDJMTOCZST-UHFFFAOYSA-N 442.902 5.570 30 20 IKED Cc1cc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc(C)c1OC(F)F 916283501 DPTRPVSBYAZTHY-UHFFFAOYSA-N 439.487 5.534 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1sc(-c2ccccc2)nc1C 916901899 RYEYMZHBDWUQLK-HNNXBMFYSA-N 439.924 5.050 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(OC)cc3)n2)cc1 916915931 RYFLLVJPFUCQJX-HXUWFJFHSA-N 433.533 5.122 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ncc(-c3ccccc3F)o2)cc1 916955952 VZNGJCKYHFQCAI-JXFKEZNVSA-N 433.483 5.274 30 20 IKED N#C[C@@H](C(=O)/C(=C\c1ccc(F)cc1)c1cccs1)c1nc2ccccc2n1C(F)F 917039846 FOHSFVBTWNLVKA-WBILKINKSA-N 437.446 6.049 30 20 IKED C=CCN(Cc1cccs1)C(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1 917524852 HCWJJUGCMNALQO-PKNBQFBNSA-N 438.549 5.169 30 20 IKED COC(=O)c1ccccc1-c1ccc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)o1 917644630 JOWSJIWHAZOEKC-NDENLUEZSA-N 446.509 5.011 30 20 IKED CCN(CC)CCOc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 918127353 JCGJEFDJRPKXOJ-SANMLTNESA-N 427.548 5.315 30 20 IKED C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 920765645 AZNJBCGFYSTCRG-YWZLYKJASA-N 435.867 5.310 30 20 IKED Cc1ccc2cc(C(=O)NC3(c4ccc(NC(=O)[C@H](S)C(C)C)cc4)CCC3)ccc2n1 1786393637 IQWGJOYBTRQWBR-HSZRJFAPSA-N 447.604 5.245 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CCc3ncccc3C)cc2)CCC1 1786794052 UULDIXLLWCSLIT-UHFFFAOYSA-N 431.580 5.225 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3csc4c3CCCO4)cc2)CCC1 1788396782 POENEVSZKJIUBH-UHFFFAOYSA-N 436.577 5.014 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C3CCN(C(C)C)CC3)CCC2)cc1 1789452836 ARSRGVLZTODPFF-DEOSSOPVSA-N 437.628 5.009 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccsc4)CCC3)cc2)cc1 1790285838 WNDLEPGYTHDWQZ-NYYWCZLTSA-N 427.529 5.081 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccco4)CCC3)cc2)c1 1792122960 FZMFBIRDOUCDLQ-HYSAVQALSA-N 439.515 5.368 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CC2CCC(C)(C)CC2)c1 1800233719 KNISEKAQCHQAJV-ABQRKTDGSA-N 435.612 5.172 30 20 IKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(CCC)cc2)[C@H]1c1cccnc1 1803085733 CDGAGKIMVPRFCZ-FTJBHMTQSA-N 445.607 5.122 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccccc2F)[nH]n1 1819557007 SUKGWLVQNJGBPC-NRFANRHFSA-N 440.563 5.166 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@]2(F)CCCC=C2F)n[nH]1 1823592088 YGKNDAWCCNKISE-HXOBKFHXSA-N 434.531 5.140 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2c(C)c[nH]c2C)CC1 1824272631 CDGZFAOFDWWHLA-XMMPIXPASA-N 441.660 5.176 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C(F)(F)F)CCC2)CC1 1826761260 IIHYBAYKAXVNBF-WOJBJXKFSA-N 440.550 5.107 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)oc2C(F)(F)F)CC1 1831371979 QTKJJENWPVHMLX-DNVCBOLYSA-N 440.506 5.052 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc2c1oc1ccccc12 1847268008 VADKAGZQFCZTOR-VXKWHMMOSA-N 430.548 5.394 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)Nc1ccc(C(C)C)cc1 11263157 MRTSBBZCEJYSNK-UHFFFAOYSA-O 445.652 6.636 30 20 IKED C=CCN(C(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1)c1nc(-c2ccccc2)cs1 14055215 IFQCNQXAQLZVOY-FQEVSTJZSA-N 439.968 5.250 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)nnc1C1CC1 20969881 IFNIWGAPTIOENG-UHFFFAOYSA-N 431.565 5.200 30 20 IKED Cc1ccc(NC(=O)CSc2nc(C)cc(C(F)(F)F)c2C#N)c(Br)c1 21514578 WHFNKYIGODYIRP-UHFFFAOYSA-N 444.276 5.082 30 20 IKED C=CCn1c(SCc2csc(Cc3ccccc3)n2)nnc1-c1ccc(OC)cc1 31651185 CIYDQQZRQCPKEW-UHFFFAOYSA-N 434.590 5.479 30 20 IKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cc3csc(-c4cccnc4)n3)c2C#N)C1 61054789 IDSXVJFEKKUGGE-HNNXBMFYSA-N 436.606 5.470 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCOc1ccc(Cl)c(Cl)c1 107805694 KGAYXQBMWWQPGO-UHFFFAOYSA-N 442.302 5.768 30 20 IKED CN(c1ccccc1)c1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cn1 195610703 PCLYSIFBGBUZTQ-UHFFFAOYSA-N 425.517 5.021 30 20 IKED Cc1ccc([C@H](Nc2cc(C#N)nc3ccccc23)c2cccc(S(C)(=O)=O)c2)cc1 301486508 ZZZMSBXELNOLBD-VWLOTQADSA-N 427.529 5.020 30 20 IKED N#CCC1(CNC(=O)C(=O)Nc2ccc(Cl)cc2-c2cccc(Cl)c2Cl)CC1 430318419 IDEOWNPKSZONEE-UHFFFAOYSA-N 436.726 5.062 30 20 IKED CCC[C@@H](C)N(C(=O)c1cccc(SCC#N)c1)c1nc(C)c(C(=O)OCC)s1 430591611 OMOAKWDKBJGIRH-CQSZACIVSA-N 431.583 5.079 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3c[nH]c(C(F)(F)F)c3)s2)c(C(F)(F)F)c1 431324690 XPUDUXGUZLBTRH-UHFFFAOYSA-N 444.360 5.224 30 20 IKED CCN(C(=O)Nc1ncccc1OCCCC#N)[C@H](C)Cc1ccccc1C(F)(F)F 432425199 UEPZYGLGXFOVKZ-MRXNPFEDSA-N 434.462 5.268 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(CO)(c2ccccc2)CC1 432752590 NBJARNZXACQGDX-UHFFFAOYSA-N 441.531 5.217 30 20 IKED CC(C)(CNCc1cn(CCC#N)nc1-c1ccncc1)c1c(Cl)cccc1Cl 433309365 YYNPDJJFUCZMGA-UHFFFAOYSA-N 428.367 5.233 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H]2CCOC3(CCSCC3)C2)c1 434326727 NHVWNXJMTRPIKX-QGZVFWFLSA-N 442.968 5.179 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCOC3(CCSCC3)C2)cc1 434498413 SUGLEMNFINHALV-FQEVSTJZSA-N 438.618 5.025 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCc2nc(C(F)(F)F)cs2)cc1 437072550 COYAKULOGQSWIU-UHFFFAOYSA-N 447.507 5.298 30 20 IKED C[C@@H](c1c(F)cccc1F)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438664880 OAKSEYZVKNOQCN-AWEZNQCLSA-N 425.410 5.993 30 20 IKED CCCc1c(NC(=O)c2ccc(CN(CC)C(C)C)cc2)cnn1-c1cccc(C#N)c1 440084731 XULBZYSVDMIWON-UHFFFAOYSA-N 429.568 5.179 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)N(C)CC2)c1ccc(C(F)(F)F)cc1 442203520 CVBZZTIRIQXLJX-HXUWFJFHSA-N 431.458 5.163 30 20 IKED N#Cc1cccc(-c2cnc(CNC(=O)c3[nH]ccc3-c3c(Cl)cccc3Cl)[nH]2)c1 442638501 SNLKUMPGYGTYSU-UHFFFAOYSA-N 436.302 5.180 30 20 IKED Cc1cccc(CN(Cc2ccccn2)C(=O)Nc2ccccc2SC[C@H](C)C#N)c1 443911372 XGRVJIJEQVENFU-HXUWFJFHSA-N 430.577 5.876 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 443919960 JKPJPVOMBNKBII-JKSUJKDBSA-N 438.528 5.773 30 20 IKED N#Cc1ccc(C2=CCN(c3nnc(Cc4ccsc4)n3Cc3cccs3)CC2)cc1 461312739 UVACGRUXTRTWMW-UHFFFAOYSA-N 443.601 5.206 30 20 IKED COc1ccc([C@H](Cc2ccccc2C)NC(=O)[C@H](C)c2cccc(C#N)c2)cc1OC 461992125 RGXSGPUVBMINQW-DVECYGJZSA-N 428.532 5.088 30 20 IKED C[C@@H](C(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)c1cccc(C#N)c1 463259490 PDQKRDCNKRZSDT-IVZQSRNASA-N 448.448 5.463 30 20 IKED CCCc1cccc(C(C)C)c1NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 471877316 MOBFJQWEMNKEBE-UHFFFAOYSA-N 444.583 5.156 30 20 IKED Cc1nc(C(C)(C)C)nc(O)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 474484807 AZSNTKCGQIDXRN-GOSISDBHSA-N 434.927 5.349 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 475549257 OQBCTEKTLIVLHZ-UHFFFAOYSA-N 431.540 5.395 30 20 IKED CC(=O)Nc1cccc(NC(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)c1 478915764 YOEZZENIHQASRE-UHFFFAOYSA-N 448.548 5.236 30 20 IKED CC[C@@H](N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)c1ccc(C#N)cc1 479520227 WGHQYAHCALZVCN-QZTJIDSGSA-N 427.264 5.114 30 20 IKED CCOCc1ccccc1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481629820 SDBUAMUESNFSBS-UHFFFAOYSA-N 433.483 5.135 30 20 IKED C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 482382485 XJJRCYXULVEFDY-MGPLVRAMSA-N 438.343 5.572 30 20 IKED C[C@H]1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 485322920 SIZPVCISLXSRNF-ZBEGNZNMSA-N 427.348 5.214 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])cc1 486250557 LIDRVETXHABKGZ-UHFFFAOYSA-N 435.461 5.242 30 20 IKED CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](CCCC#N)c2ccccc2)c1 487221787 TWWAOGHAJWRKKA-HXUWFJFHSA-N 426.948 5.425 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2Cl)C(C)C)nnc1-c1cccs1 489462185 JPAHYBSMUSCCTA-QGZVFWFLSA-N 433.002 5.601 30 20 IKED C[C@H](NC(=O)c1nc(C2CC2)ncc1Br)c1ccc(-c2cccc(C#N)c2)cc1 494354614 YEBLELIUZDBNHT-AWEZNQCLSA-N 447.336 5.146 30 20 IKED Cc1nc(SCC(=O)Nc2cccc(CSc3ccccn3)c2)c(C#N)c(C)c1C 496428141 KWROYTMHWYGYKQ-UHFFFAOYSA-N 434.590 5.297 30 20 IKED N#C[C@H](C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nc(-c2ccccc2)cs1 497863259 FGRNUTAOYFYJII-MRXNPFEDSA-N 432.486 5.332 30 20 IKED Cc1nc([C@H]2CCCOC2)sc1C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 498948990 SHYSIEOCXWMKDN-ZHRRBRCNSA-N 431.561 5.375 30 20 IKED CCOc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 500765612 GNLGLIKUCXCPKI-UHFFFAOYSA-N 428.488 5.659 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1OC 501820509 BUJMOTJTTFILGM-GOSISDBHSA-N 430.504 5.036 30 20 IKED Cc1ccc(Oc2ccc(Cl)cc2NC(=O)Cn2cc(C#N)c(=O)c3ccccc32)cc1 502587791 MERVQBSYIQXMCR-UHFFFAOYSA-N 443.890 5.266 30 20 IKED CCC(C)(C)NC(=O)[C@@H](C)Sc1nc(-c2ccc(C)o2)cc(C(F)(F)F)c1C#N 504504914 WCNCYXRBEYBZJL-GFCCVEGCSA-N 425.476 5.326 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H](Oc4ccccc4Cl)C3)cc2)nc1 504662657 NEFYLHHBGITHPF-FQEVSTJZSA-N 433.895 5.083 30 20 IKED COc1ccc([C@H]2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)cc1 506642636 LREMVOANXLNGIY-QFIPXVFZSA-N 441.531 5.362 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1cc(C(F)(F)F)ccn1 506862172 ZFNNWAVCRDCYSX-UHFFFAOYSA-N 427.451 5.096 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 508129801 CPBPVSLRMTVFOF-NHCUHLMSSA-N 428.454 5.262 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](NC(=O)c1ccccc1F)C(C)C 511550731 AOKCWHPIZBKJIB-XMMPIXPASA-N 445.494 5.191 30 20 IKED Cc1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c(OC[C@@H]2CCCO2)c1 513475880 LXZRBZQVERMQSN-QHCPKHFHSA-N 442.515 5.256 30 20 IKED CC(C)Oc1cc(Br)ccc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 517518162 WVEWUPXKIAALQV-AWEZNQCLSA-N 433.371 5.883 30 20 IKED Cn1c([C@H]2CCCN2C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)nc2ccccc21 517678409 BTSYFSNKMZRBFR-RUZDIDTESA-N 436.515 5.409 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3nnc(Cc4ccccc4F)s3)c2)cc1 518120631 SAABJBYBCRPLPU-UHFFFAOYSA-N 430.464 5.184 30 20 IKED C[C@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)Nc1ccccc1Br 518238653 MKFDXEJLQVSLON-HNNXBMFYSA-N 436.309 5.552 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccn(-c2ccc(F)cc2)n1 519433917 IJLSEOUDNIDYFC-UHFFFAOYSA-N 434.418 5.288 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(CN(C)Cc2ccccc2)CC1 519450282 YZNASXPRKXRYDK-HXUWFJFHSA-N 436.625 5.314 30 20 IKED Cc1nc(-c2ccc([C@H](C)NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cc2)cs1 519923233 VQDVCIUHINZMLL-SFHVURJKSA-N 432.593 5.919 30 20 IKED COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)Nc2ccc(C#N)cn2)cc1 520316054 ZOLGZIILQBMCCW-XMHGGMMESA-N 432.483 5.249 30 20 IKED C=CCOc1ccccc1CN[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 520388312 MBCKCXCFAJCGOX-XMMPIXPASA-N 436.939 5.383 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1ccccc1Sc1ccccc1)c1ccccc1 521347469 GIZOPXOBZGCYTQ-UHFFFAOYSA-N 429.545 5.503 30 20 IKED C[C@@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1 521734395 OMHKIQCQVGTLKM-VXKWHMMOSA-N 443.616 5.968 30 20 IKED Cc1cnc(-c2cccc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)c2)o1 523947793 DSRVLDUWGUVPCN-UHFFFAOYSA-N 429.863 6.220 30 20 IKED C=CCn1c(SCC(=O)N(C)c2cccc(C)c2)nnc1-c1ccc(Cl)cc1Cl 524284702 NQNREBSQQUTWNY-UHFFFAOYSA-N 447.391 5.501 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(-c4nc5ccccc5[nH]4)c3)o2)cc1 524420447 GCBZEGQXYCTHOG-UHFFFAOYSA-N 434.455 5.526 30 20 IKED Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 524565143 IZCKEFYGRFIKRX-RXVVDRJESA-N 439.581 5.451 30 20 IKED C=C(C)COc1cc(CNC2(c3ccc(Br)cc3)CCOCC2)ccc1OC 525183602 GNHSQSPUMHBCSK-UHFFFAOYSA-N 446.385 5.208 30 20 IKED CC(=O)N(c1nc(CN(CCC#N)Cc2ccccn2)cs1)c1c(C)cc(C)cc1C 535206337 NFGOIBKLHOCLFX-UHFFFAOYSA-N 433.581 5.064 30 20 IKED COCc1nc(C)c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1 535404299 IHYAGVKNDKVYSO-GFCCVEGCSA-N 438.361 5.518 30 20 IKED Cn1cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c(-c2ccccc2)n1 540237100 RJPROKZJUYRIKW-UHFFFAOYSA-N 428.879 5.657 30 20 IKED C[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)N(C)Cc1nc2ccccc2s1 541075120 QDAKALZPQYJWGQ-LBPRGKRZSA-N 435.496 5.326 30 20 IKED COc1cccc(NCc2nnc(SCc3ccc(CC#N)cc3)n2C2CCCCC2)c1 541286938 SSHHUBYTNVYQDX-UHFFFAOYSA-N 447.608 5.762 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CSc1ccccc1[N+](=O)[O-] 541289942 CDBPBSANWRWNGY-UHFFFAOYSA-N 433.489 5.085 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](Cc1ccccc1)c1cccs1 541592859 FGJANXORQIWYCF-GHTZIAJQSA-N 435.618 5.512 30 20 IKED COc1cc([C@H](C#N)NC(=O)c2ccc(C)cc2Sc2ccccc2)cc(OC)c1OC 544059017 OEJNBVCTHPBXNS-FQEVSTJZSA-N 448.544 5.167 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](c2ccccc2C)C1 549253062 YFHZGXFTSPCGLP-AUSIDOKSSA-N 436.531 5.020 30 20 IKED Cc1c(C(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)sc2ccc(C#N)cc12 550177260 QCZWXNQCGQWTEN-OAQYLSRUSA-N 449.963 5.323 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)c1 551340828 FWLFAYYOYDNASH-UHFFFAOYSA-N 440.258 5.842 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 553320037 NREPGHVCCYSRBW-MRXNPFEDSA-N 444.551 5.145 30 20 IKED CCCC(=O)Nc1cccc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1 561069689 HZKRBRANZVHGLC-UHFFFAOYSA-N 438.959 5.195 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 572047609 OYRWUHZGMOGBEI-GOSISDBHSA-N 444.560 5.035 30 20 IKED CCCc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1cccc(C)c1 576305642 LAZCBORSLNCQQX-QGZVFWFLSA-N 433.462 5.368 30 20 IKED C[C@H](SCc1nnn(CC(F)(F)F)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 589575215 JPBSQXBSQQYZGO-ZETCQYMHSA-N 438.319 5.267 30 20 IKED CC(C)(CNC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)cc1 590805784 VYBHQUBPJMUDNH-STQMWFEESA-N 428.392 5.312 30 20 IKED N#C[C@H](C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1nc2cc(F)ccc2s1 592973661 FECFGQFOQLOTAP-OAHLLOKOSA-N 445.504 5.235 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 603738422 AZIMHDORAKSFAT-MOPGFXCFSA-N 437.421 5.815 30 20 IKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nnn1-c1ccccc1 603962245 ONVVDMVHQJLASL-OAQYLSRUSA-N 427.895 5.137 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(N3CCCCCC3)nc2)cc1 604003802 XGQZZIUFUCQVOO-UHFFFAOYSA-N 440.547 5.359 30 20 IKED Cc1ccc(CN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C2CC2)o1 604211469 LUSZPZCXYKXUQL-UHFFFAOYSA-N 449.894 5.035 30 20 IKED CCCC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609054143 WFGIMRDPGYFSDL-JMUQELJHSA-N 437.971 5.409 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2nc3cc(F)c(F)cc3s2)cc1C 609112953 RNEQAQWXOVXLCI-UHFFFAOYSA-N 437.475 5.221 30 20 IKED N#CC1CCN(C(=O)NC[C@H](c2ccccc2)c2c(-c3ccccc3)[nH]c3ccccc23)CC1 609212664 KPYFTHORGVCYEE-RUZDIDTESA-N 448.570 5.912 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1coc(-c2cccs2)n1 609262191 SAXCJRDWSPRKEB-UHFFFAOYSA-N 431.492 5.498 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C1=Cc2cc(Br)ccc2OC1 609428517 NRSIBXRQAZSOJS-ZDUSSCGKSA-N 429.339 5.258 30 20 IKED Cc1nc(C)c(-c2csc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)n2)s1 609503868 BUZDITKHLOEMPW-UHFFFAOYSA-N 446.557 5.994 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)Nc2cccc(OCC(F)(F)F)c2)CC1 609552430 ACPHMGLQIVHDSB-UHFFFAOYSA-N 433.430 5.011 30 20 IKED COc1cc([C@H](C)Nc2nc(C(F)(F)F)ccc2C#N)ccc1OCc1ccccc1 609669688 GSGOWRWFSWVLRZ-HNNXBMFYSA-N 427.426 5.733 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc2cccnc12 609691794 GDWXJZMWNOBSND-UHFFFAOYSA-N 437.468 5.060 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1)C(C)C 609743936 RZESVNCRCDGAQI-UHFFFAOYSA-N 443.507 5.146 30 20 IKED C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 609844922 SPNROELVDBVBDP-IRLDBZIGSA-N 432.568 5.469 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1c(Cl)cccc1C(F)(F)F 610084049 YVOUJMBPIPAEIS-UHFFFAOYSA-N 430.879 5.077 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ncc(-c2ccccc2)o1 610094233 PHXOTAZRBMYQRR-MRXNPFEDSA-N 425.448 5.283 30 20 IKED C[C@@H](NCc1cn2cc(Br)ccc2n1)c1ccc(-c2cccc(C#N)c2)cc1 611807150 MHRQTAKBYBBQBH-MRXNPFEDSA-N 431.337 5.486 30 20 IKED Cc1c(C#N)c(NC(=O)CCN[C@@H](C)c2cc3ccccc3o2)n(Cc2ccco2)c1C 612494654 FAOAAFNGKWGDCD-KRWDZBQOSA-N 430.508 5.044 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1nc(-c2ccccc2)cs1 613392595 VIRRZFLKUAHYMN-KRWDZBQOSA-N 444.537 5.800 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccccc2Cl)on1)c1nc2cc(C(F)(F)F)ccc2s1 613402998 AHPJRMNPSUPBQK-GFCCVEGCSA-N 447.825 6.114 30 20 IKED C=CCn1c(Sc2cc3c(nn2)CCC3)nc2sc(-c3ccccc3)c(C)c2c1=O 621741883 QDPXHQZLOVXGEV-UHFFFAOYSA-N 432.574 5.049 30 20 IKED O=C(Nc1cc(F)ccc1SCC(F)F)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674568577 LVQQUXBKVCDTKQ-RKDXNWHRSA-N 440.331 5.387 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 728373070 XCANHPVAEVKCGQ-UHFFFAOYSA-N 429.520 5.193 30 20 IKED C#Cc1cccc(N(CC)C(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)c1 728480955 XIGGSWVYBKFBEK-UHFFFAOYSA-N 426.520 5.537 30 20 IKED CC(C)c1cc(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccc2n1 731070775 RTGQXQXMWVHWTJ-QGZVFWFLSA-N 447.560 5.548 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cccc(OC2CCCC2)c1 731262714 TXXOXLOCJNQEMN-KRWDZBQOSA-N 438.549 5.055 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cn1c(SC(F)F)nc2ccccc21 731349786 RUQYXAHEQPAUIZ-ZDUSSCGKSA-N 432.521 5.384 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)NC(C)(C)c2cccc(C(F)(F)F)c2)ccc1OC 733646791 AKHGJPVWDCJPQK-SFHVURJKSA-N 449.473 5.129 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)[C@@H](C)c2ccccc2Br)c1 733805749 DXKJXDZTFKOYGB-DOTOQJQBSA-N 430.346 5.033 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)c1 733844037 YEDWYSAKIZARJP-QFIPXVFZSA-N 442.519 5.250 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Cc3coc(-c4ccc(Cl)cc4)n3)c2)s1 739596527 XBXINEVEACZOJZ-UHFFFAOYSA-N 433.920 5.454 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)ccc1OC 741929682 NEXAUEBWVQDATO-GUDVDZBRSA-N 433.335 5.103 30 20 IKED Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)c1ccccc1OCC#N 741971980 YRHQMJZBRHLHRO-UHFFFAOYSA-N 442.494 5.886 30 20 IKED C=CCc1cc(C(=O)Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cc(OC)c1OC 742886609 VKBHVUOIVKUTPX-MRXNPFEDSA-N 440.540 5.270 30 20 IKED C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1C(F)(F)F 744031403 VZBGMSNUAYUDDW-MFKMUULPSA-N 429.225 5.463 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(Br)s1 744032389 DXDZKSYJLDIEGW-PRHODGIISA-N 446.153 5.268 30 20 IKED Cc1cccc2c(CCC(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c[nH]c12 744038326 QMMRIFXLLZWCLD-INIZCTEOSA-N 427.451 5.914 30 20 IKED CCCOc1c(Cl)cc(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)cc1OCC 746480768 CANNCZCHUFMUHC-UHFFFAOYSA-N 438.267 5.213 30 20 IKED C[C@@H](OC(=O)CSCc1ccc(C#N)cc1)c1ccc(NC(=O)c2ccccc2)cc1 748012313 FBPZYAGDOSEFHW-GOSISDBHSA-N 430.529 5.348 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cc(-c2ccccc2)ccc1O 749444176 NDJDPWKWIRFMOP-UHFFFAOYSA-N 437.524 5.688 30 20 IKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(C2CC(F)(F)C2)C1=O)Nc1ccccc1 757900633 YIJAYHIHQLBEFR-QGZVFWFLSA-N 449.910 5.098 30 20 IKED C[C@@H](ON=Cc1ccc(Br)cc1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 760415760 CSSPUFNLHWMMIJ-SNVBAGLBSA-N 441.112 5.918 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2OCC#N)nc1-c1ccccc1 761670307 PSVOHBVRQMILFL-FQEVSTJZSA-N 448.498 5.875 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H](O)c2ccc(Cl)c(F)c2)cc1 763202681 OLAYPKTWIQOMJQ-NRFANRHFSA-N 440.927 5.106 30 20 IKED CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 765590051 PXOXFCHLFLERIL-UZLBHIALSA-N 435.505 5.172 30 20 IKED N#C[C@@H](C(=O)Cc1ccc(OCCOc2ccccc2)cc1)c1nc2cc(F)ccc2s1 765939577 SIXPEIZTHUMBFF-NRFANRHFSA-N 446.503 5.312 30 20 IKED Cc1cc(NC(=O)c2cc(-c3nc4ccccc4s3)nc3ccccc23)nn1CCC#N 768047942 RYTUJBGLJJOMPS-UHFFFAOYSA-N 438.516 5.182 30 20 IKED C[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1cccc(OCc2ccccc2)c1 769863763 IDWITCIPRBVRMU-CYFREDJKSA-N 448.526 5.153 30 20 IKED CCCCCCCCOCc1cccc(NC(=O)N2CCC3(CCN(C)C3=O)CC2)c1 770277800 ASIOANNKZJCUJW-UHFFFAOYSA-N 429.605 5.040 30 20 IKED CC[C@@]1(c2ccccc2)NC(=O)N(c2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1=O 771815627 CKKGPKJZYNUOAW-BWKNWUBXSA-N 429.907 5.357 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC2(c3ccc(Cl)cc3)CCC2)cc1 773756453 IPQNBQHAPFQHBK-HSZRJFAPSA-N 443.934 5.130 30 20 IKED CN(C)c1ccc(C2CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)CC2)cc1 775447486 WLXHUXLRVBXBEL-UHFFFAOYSA-N 445.592 5.083 30 20 IKED O=C1/C(=C/c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCc2ncc(C(F)(F)F)cc21 777469578 GNBYYJAUCMXQBX-IZZDOVSWSA-N 431.395 5.345 30 20 IKED N#Cc1cc(N[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)ccc1N1CCC(O)CC1 779160395 VTNFXLKEDKPMIZ-RUZDIDTESA-N 435.930 5.513 30 20 IKED N#Cc1ccc(CN2CCC(Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC2)cc1 781530847 ZOLOIOOAOGQKLP-UHFFFAOYSA-N 440.522 5.225 30 20 IKED CC(=NNc1ncnc2scc(-c3ccc(C)cc3)c12)c1ccc(N2CCNC2=O)cc1 782170720 LULIJLVHFOMJBI-UHFFFAOYSA-N 442.548 5.032 30 20 IKED N#C[C@H](C(=O)[C@H]1CCCN1c1nccs1)c1nc(-c2ccc(Cl)cc2Cl)cs1 783069196 GEHBERLLICXYBU-CZUORRHYSA-N 449.388 5.419 30 20 IKED C[C@@H](OC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nnc(-c2ccc(F)cc2)o1 783684784 XEBKFAGVXXRAFG-MRXNPFEDSA-N 443.434 5.244 30 20 IKED CCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccsc1 790735891 GETUNAOWMIYLSI-CQSZACIVSA-N 441.550 5.043 30 20 IKED C[C@@H]1CC[C@H](N2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccsc2)C1 790739295 XUWXOCLJILFVHL-XUWXXGDYSA-N 431.558 5.036 30 20 IKED CC[C@@H](C)n1c(SCC(=O)[C@H](C#N)c2nccc3ccccc23)nnc1-c1ccccc1 792095547 LOFJVEJUOGEACO-UTKZUKDTSA-N 441.560 5.433 30 20 IKED CC(C)(C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1cc(F)cc(C#N)c1 796907189 ZKWAJOGPTXFAJH-OAHLLOKOSA-N 425.435 5.253 30 20 IKED C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(O)(c2ccccc2Cl)CC1 802557878 GODPXYDXIABZOB-UHFFFAOYSA-N 447.970 5.144 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)OCc1cnc(-c2ccc(C(C)C)cc2)s1 804561551 KNCFMAQYIKCXHE-UHFFFAOYSA-N 435.549 5.199 30 20 IKED O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(Br)nc1 811695805 FAIYSKONYBAFBB-CSKARUKUSA-N 445.320 5.047 30 20 IKED CC(=NNc1nccnc1C1CCC1)c1sc(-c2ccccc2Br)nc1C 814931810 GHURPGGKPRFNON-UHFFFAOYSA-N 442.386 5.775 30 20 IKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2cccs2)C1=O)Nc1ccc(F)cc1 837516664 HWSYVSSPLAMKEH-LJQANCHMSA-N 439.537 5.048 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(-c2nc(Cn3cnc4ccccc43)no2)c1 904737045 SKMNBCVQRHQRQC-UHFFFAOYSA-N 427.851 5.452 30 20 IKED FC(F)(F)CCc1noc(-c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)n1 904866585 RWDJSOJNDGFXEZ-UHFFFAOYSA-N 444.257 5.455 30 20 IKED C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2ccccc2Br)no1 904961759 DSGQODGGGXMLBT-CYBMUJFWSA-N 428.714 5.208 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)CSCc1coc(-c2ccccc2)n1 916039128 AXBFWOUDEYFPMD-UHFFFAOYSA-N 428.897 5.104 30 20 IKED COc1ccc2nc(C)c(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc2c1 916449791 MYRQJDNQYRAOCN-UHFFFAOYSA-N 437.499 5.449 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 916906568 DTWYUWDTEBKTCG-JZXOWHBKSA-N 430.426 5.495 30 20 IKED Cn1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(Cl)c1Cl 916997864 ZBPZBLXFYAHLSL-SNVBAGLBSA-N 445.158 6.252 30 20 IKED Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3sc4c(c3C#N)CCCCC4)cc12 918548414 CYGMYIIKPVNYAL-UHFFFAOYSA-N 427.533 5.183 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 920101268 ZGXGKIPBJZLAFG-UHFFFAOYSA-N 426.904 5.279 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCC(=O)c3ccc4c(c3)CCCC4)n2)cc1 920139680 XOYUACWOMUYCDH-QFIPXVFZSA-N 444.556 5.537 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Sc3ccccc3)CCC2)cc1 1786676477 KSRWKOCZXUGMDA-GOSISDBHSA-N 440.634 5.221 30 20 IKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)CCC2)cc1 1787647410 KTJAGQCMGRTOSB-UHFFFAOYSA-N 438.487 5.089 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ncsc4[nH]3)CCC2)cc1 1789626450 PHXONMDYLPBNLB-UHFFFAOYSA-N 436.581 5.365 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)c(Cl)cc1F)C2 1798338704 GTDJQCQSAMHRFI-QKPAOTATSA-N 439.358 5.153 30 20 IKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1C1CC1)C2)c1ccccc1 1798555959 DXLKBAJOVZTXFL-OUJSJNLKSA-N 440.587 5.013 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)C2)CC1 1805296082 OBANPRLRRSOGIB-XZOQPEGZSA-N 440.603 5.153 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)n[nH]1 1814372533 AOTXLBWKPFKQMD-XOBRGWDASA-N 439.947 5.063 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](CCC)n2cccc2)n[nH]1 1818055895 XWWVIBNHIKOAGM-FCHUYYIVSA-N 437.588 5.013 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(C)cccc3[nH]2)n[nH]1 1819054837 ITKMCHKPZXYJNU-JOCHJYFZSA-N 447.583 5.498 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CC[C@H](CC)CC2)n[nH]1 1822225055 XYAWLZRSONJDIY-VMBXEPDQSA-N 426.605 5.387 30 20 IKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)cc2)n[nH]1 1823288722 ALIUWPFLCGXXHK-DEOSSOPVSA-N 440.547 5.186 30 20 IKED C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccc(Br)cc3)o2)c1C 8758764 XHODGKGXRXDTDW-UHFFFAOYSA-N 432.343 5.078 30 20 IKED Cc1cc(C)c(C#N)c(SCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)n1 10266890 WGXIECIXDWNXCP-UHFFFAOYSA-N 435.163 5.915 30 20 IKED Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3oc(C)c(C)c3C#N)c3ccccc3n2)cc1 11240658 XKAGWHYXDHDUNC-UHFFFAOYSA-N 439.471 5.087 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)nnc1-c1cccc(C)c1 22010893 VTQRKKOOLKSHFC-CQSZACIVSA-N 447.391 5.866 30 20 IKED Cc1nc(SCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)n(C2CCCCC2)c1C 26513520 SBYMNHBCZQCBNB-UHFFFAOYSA-N 449.542 5.284 30 20 IKED O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc(C#Cc2cccs2)c1 45799111 BNWDHXLSEIUXCZ-UHFFFAOYSA-N 434.520 5.255 30 20 IKED C=C(C)COc1cc(/C=C2\SC(=S)N(c3cccc(OC)c3)C2=O)ccc1OC 60791929 AXNWKRSFRBNCHI-JAIQZWGSSA-N 427.547 5.065 30 20 IKED CC(=O)N(c1nc(/C=C2/Cc3c(Cl)cccc3C2=O)cs1)c1ccc(F)cc1F 72042110 OTFVISVMZSBLSV-GHXNOFRVSA-N 430.863 5.582 30 20 IKED CN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccncc2)n(-c2ccc(Cl)cc2)c1=S 97220558 MESRTUYDOQGNSM-UHFFFAOYSA-N 446.967 5.080 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(C[C@@H](C)c3ccccc3)o2)cc1 105610708 WYIZBBZUWMAGLD-RTBURBONSA-N 434.565 5.152 30 20 IKED CC[C@@H](C#N)Oc1cc(CNc2ccnc3cc(Br)ccc23)ccc1OC 301326124 YTZDCLDBMVOLOV-INIZCTEOSA-N 426.314 5.299 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1 303394707 PJLBJCGMQQSHOU-QGZVFWFLSA-N 434.323 5.264 30 20 IKED CCCNC(=O)c1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1Cl 303508624 AYUUMIOAAASUGF-UHFFFAOYSA-N 447.922 5.183 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 409810814 JGAZMIYMRHOLOH-NVQXNPDNSA-N 441.531 5.948 30 20 IKED CCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H](C)Cc1ccsc1 429362202 LSFXDDUIEIVYTJ-IBGZPJMESA-N 433.577 5.878 30 20 IKED C[C@H](NC(=O)c1cccc(SCC#N)c1)c1ccc(NC(=O)Nc2ccccc2)cc1 431158870 LMEQXLHHSOKSLU-KRWDZBQOSA-N 430.533 5.437 30 20 IKED O=C(c1ccc(F)cc1C(F)(F)F)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 435357740 MSUYFLRLJPPPMX-SECBINFHSA-N 426.357 5.340 30 20 IKED C[C@H]1Sc2ccc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)cc2NC1=O 437485086 QCYQPUGRQLJLMW-CYBMUJFWSA-N 433.464 5.175 30 20 IKED CC[C@@](C)(NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nc(C)cs1 437739036 VTENLKAJAKYDEN-WMZHIEFXSA-N 438.984 6.207 30 20 IKED C[C@H](CNC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 443641573 MEMZAOVCWMMFOZ-SNVBAGLBSA-N 436.318 5.335 30 20 IKED C=CCN(CCc1ccco1)C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444019990 BCHSVRDIMFSLRY-QGZVFWFLSA-N 434.380 5.732 30 20 IKED C=C(C)Cn1c(SCc2nc(-c3ccc(Cl)cc3OC)no2)nnc1-c1ccco1 445671313 BUXSVOLQENUQMK-UHFFFAOYSA-N 443.916 5.119 30 20 IKED CC(C)c1ccc(NC(=O)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 446376719 LHQFEENOYIPTKY-UHFFFAOYSA-N 427.504 5.032 30 20 IKED C=CCN(C(=O)c1ccc2cc(Br)ccc2c1)c1nc(C(=O)OCC)cs1 448410947 RLCFVZPLBFKRJO-UHFFFAOYSA-N 445.338 5.068 30 20 IKED CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 460269999 MHBICLFDHLJVPH-OAQYLSRUSA-N 439.567 5.151 30 20 IKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cccc1N1CCNC1=O 460720971 QMPVDRACSTVSDG-NRFANRHFSA-N 444.922 5.086 30 20 IKED C[C@@H](C(=O)N1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1)c1cccc(C#N)c1 462080911 YHNKNMUPKBNRID-QGZVFWFLSA-N 442.494 5.030 30 20 IKED COc1cc(Cl)c(Br)cc1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 464479379 VZPYPLNJCYELAV-SNVBAGLBSA-N 433.611 5.015 30 20 IKED N#CCCCOc1cccc(NC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)c1 467824973 COASWAOOOCPVDL-UHFFFAOYSA-N 446.290 5.495 30 20 IKED N#CCCCN1C(=O)CCc2cc(NCc3cccc(OCc4ccccc4F)c3)ccc21 468858159 GDIHQVJXUDTEBC-UHFFFAOYSA-N 443.522 5.600 30 20 IKED Cc1csc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1I 468883670 IAPJUKRUUPWGPC-NSHDSACASA-N 442.347 5.308 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(-c2cccc(C#N)c2)no1 469350209 SYQAPADELVNPPL-UHFFFAOYSA-N 434.455 5.225 30 20 IKED Cc1ccccc1[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(C)(C)C 470548224 HWHPXLQQGRCAIA-XMMPIXPASA-N 432.568 5.487 30 20 IKED C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C[C@@H](c2ccsc2)O1 470590123 DXRJXHPAYFHQNU-NYHFZMIOSA-N 437.496 5.545 30 20 IKED N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)cc1 470889207 CQFSXLPVVIMDAQ-KRWDZBQOSA-N 436.393 5.085 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 473782723 QYVHZTKIGBBEHA-UHFFFAOYSA-N 441.413 5.235 30 20 IKED CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1 477725745 ZPZFRQCAUXXOQN-LJQANCHMSA-N 439.459 5.029 30 20 IKED CCOc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1OC 481663227 WDJLVKRKKUOYPZ-UHFFFAOYSA-N 449.482 5.005 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4c(C(F)F)nn(C)c4s3)n2)cc1 483515966 WZDMSQDPBLLFOF-ZDUSSCGKSA-N 444.488 5.195 30 20 IKED N#Cc1cc2c(nc1NC(=O)c1csc(-c3cccc(C(F)(F)F)c3)n1)CCCC2 484171191 YNLWKHWHIOCOMX-UHFFFAOYSA-N 428.439 5.227 30 20 IKED CC(C)Cn1ncc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)c1C1CC1 485505302 OFWDHHLEGYQURH-UHFFFAOYSA-N 445.571 5.415 30 20 IKED N#Cc1ccccc1COc1cccc(CNCc2ccnc(Oc3ccccc3F)c2)c1 486789964 UYHZLFKDBLSSSY-UHFFFAOYSA-N 439.490 5.753 30 20 IKED CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 488251359 OGIOTBCIYOIDIB-UHFFFAOYSA-N 446.488 5.083 30 20 IKED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(F)cc1-c1nc(CCOc2ccccc2)no1 488917183 VKFOUNSQXGNYKE-GOSISDBHSA-N 436.487 5.070 30 20 IKED CC(C)n1ncc(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1-c1ccccc1 488955571 YGAJHARECAOVKK-UHFFFAOYSA-N 428.536 5.123 30 20 IKED CCOc1ccc2cc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)[nH]c2c1 490632703 YDWDEBZUNIBIHI-UHFFFAOYSA-N 425.488 5.464 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)NCC(C)(C)CCC#N 499184305 FPGDHEVAHOWHML-AWEZNQCLSA-N 449.418 5.571 30 20 IKED Cc1ccccc1NC(=O)c1cc2ccccc2cc1OCCCC1(C#N)CCOCC1 499931714 ZBGHRXFQZHLYKO-UHFFFAOYSA-N 428.532 5.880 30 20 IKED C=C(C)Cn1c(SCC(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)nnc1-c1ccco1 500577361 INOMUZDTTMBNHU-NHCUHLMSSA-N 446.576 5.053 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(COCCc3ccccc3)c2)cc1 502632095 GJLQOFXMGFLGLQ-UHFFFAOYSA-N 444.535 5.397 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)c1 502672855 XOAJZKXYBRVFAB-UHFFFAOYSA-N 428.464 5.339 30 20 IKED N#Cc1cc(NC(=O)NCc2ccc(Oc3ccccc3)nc2)ccc1OCC(F)(F)F 503066284 NKQFZOQFZVHEOH-UHFFFAOYSA-N 442.397 5.008 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCc2ccc3ccccc3n2)cc1 508274862 DMIIRRBCGSBJJQ-UHFFFAOYSA-N 438.487 5.272 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccccc2OC)c(F)c1 510874592 NDLPHLIZSJJFMA-UHFFFAOYSA-N 433.483 5.942 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H]2CCCc3ccccc32)cc1 511364587 PJQXVLZYOKWQLW-QFIPXVFZSA-N 425.532 5.573 30 20 IKED CCc1cc(=O)c2cc(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)ccc2[nH]1 512580879 DPNTXEWMHWYJTE-UHFFFAOYSA-N 443.890 5.660 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1nc2ccccc2s1 513692183 KGSXMPBGTHKBIM-INIZCTEOSA-N 449.875 6.140 30 20 IKED C=CCSc1ccccc1NC(=O)Cn1cnc2cc(-c3ccccc3)sc2c1=O 514488536 OZODBGHBZAYBNN-UHFFFAOYSA-N 433.558 5.042 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccccc2)[nH]n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 515615119 QAYKBEJADOJJBZ-OAHLLOKOSA-N 439.327 5.997 30 20 IKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(F)cc1 517859706 PIYOURFAOZYUQP-HSZRJFAPSA-N 445.494 5.332 30 20 IKED CC1CCC(OC2CCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)CC2)CC1 518015194 NAFLHLOFECBEJB-UHFFFAOYSA-N 434.540 5.337 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(Cl)c2c(c1)OCO2 518151848 YCBXTGKGEIKGJH-UHFFFAOYSA-N 428.819 5.346 30 20 IKED COC(=O)c1ccc2ccccc2c1OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 519426437 QTVYIVRWMXHGJF-INIZCTEOSA-N 434.517 5.038 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 520924471 XPJICOHWKSDXJF-OAHLLOKOSA-N 442.009 5.963 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CCC(=O)N2CCSc3ccccc32)cc1 521646965 GSOUXECBQBBFBC-UHFFFAOYSA-N 443.528 5.208 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC1(c2cccc(Br)c2)CCC1 521810954 LZGQKIMGINRURB-OAHLLOKOSA-N 444.398 6.044 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)c2)cc1 522389882 MQRILYCHXZYATA-OAQYLSRUSA-N 436.298 5.439 30 20 IKED Cc1cccnc1[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C(C)C 522429571 VCXMCTFYPGJCPK-XMMPIXPASA-N 428.536 5.554 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 523909243 MOZKWCWPWAIADB-BEFAXECRSA-N 432.014 6.056 30 20 IKED C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@@H](c2ccc(F)cc2)O1 525090832 KZBPNFARNOOXLQ-CJAUYULYSA-N 430.479 5.286 30 20 IKED Cn1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1NC(=O)c1ccc(C2(C#N)CC2)cc1 537414435 LSJHKOVCCSKEHT-UHFFFAOYSA-N 444.844 5.567 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)c1nc(-c2ccncc2)cs1 540079528 GUMZNDYKGBWXHD-AWEZNQCLSA-N 440.315 5.188 30 20 IKED Cc1cc(NC(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n(C)n1 542132211 OUJLPXAZQHRHCY-LBPRGKRZSA-N 448.289 5.191 30 20 IKED Cc1cccc([C@H]2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)c1 542364702 QDYGAYGXTNIVLT-QHCPKHFHSA-N 425.532 5.662 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)C(c1ccccc1)c1ccccc1 542559005 KQSDBJZPIFFNBK-NHCUHLMSSA-N 443.616 5.687 30 20 IKED C[C@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1ccc(-c2cccnc2)cc1 542963374 XJHXWOQVWNIONX-INIZCTEOSA-N 442.910 5.342 30 20 IKED Cc1nn(CC(F)F)c(C)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 546868500 BYHJBMFANSUAIF-SFHVURJKSA-N 428.870 5.326 30 20 IKED CC(C)COc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC(C#N)(c2ccccn2)CC1 548902563 FNVPKVWDOIKNCX-QHCPKHFHSA-N 448.611 5.471 30 20 IKED CC(C)n1ncc2c(C(=O)N(CCC#N)c3ccc(F)cc3)cc(-c3ccccc3)nc21 554282591 BFRDDXYUMSMYPZ-UHFFFAOYSA-N 427.483 5.379 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 554463411 LSGQEUJOGFUUNS-NVJGINGZSA-N 442.559 5.157 30 20 IKED C=C(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCCC2(CCOCC2)C1 555258754 KTXXPSGOQGNGSN-UHFFFAOYSA-N 448.567 5.090 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 559004393 NNMFFUCRBPNVBN-DSITVLBTSA-N 443.595 5.180 30 20 IKED CSc1ccc(-c2nsc(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)n2)cc1 563658080 TWMQHBIGUTZNSQ-UHFFFAOYSA-N 433.562 5.120 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](CC1CCCCC1)C(C)(C)C 571318198 HZEBDORBXMJOKL-UTKZUKDTSA-N 429.630 5.378 30 20 IKED CSCC[C@@](C)(C#N)NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 575090592 DXGXERSNBWRKGJ-NRFANRHFSA-N 427.620 5.233 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c(Cl)c1 589971789 CHMIVBZWIPFPEO-UHFFFAOYSA-N 425.197 5.322 30 20 IKED N#C[C@H](C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1nc2cc(F)ccc2s1 592975945 ZQHULRFTRWGAJP-CYBMUJFWSA-N 437.887 5.037 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)cc1Cl 603759117 USURYASACDGGPL-ISKFKSNPSA-N 446.934 5.806 30 20 IKED Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603765925 DHXOJYHQLUHGHW-SFHVURJKSA-N 429.829 5.970 30 20 IKED CCC(=O)Nc1cccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 603809370 RQKKPSRIVNGZKR-QFIPXVFZSA-N 446.938 5.666 30 20 IKED COc1ccc(-c2noc(CCCC(=O)Nc3sc(-c4ccccc4)cc3C#N)n2)cc1 603968997 TVINRFWWGLGTOJ-UHFFFAOYSA-N 444.516 5.307 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)C2CC2)cc1Cl 604140283 YTRLJVKVBWRZLG-VWNXMTODSA-N 443.934 5.201 30 20 IKED CC(C)[C@@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)c1cccc(C(F)(F)F)c1 608843615 VRBWVKBBRFWSBW-JOCHJYFZSA-N 444.501 5.196 30 20 IKED COc1cc(C#N)ccc1OCC(=O)Nc1ccc(Sc2nc(C)cs2)c(Cl)c1 608874207 FEKIBZNXCSLXMO-UHFFFAOYSA-N 445.953 5.154 30 20 IKED N#Cc1ccc(Oc2cccc(NCc3nc(-c4ccc(C(F)(F)F)cc4)no3)c2)cc1 609221329 SJCJWWWZUFTOGF-UHFFFAOYSA-N 436.393 6.031 30 20 IKED Cc1ccc(C(=O)N[C@H](CC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c2ccccc2)cc1 609228534 XXKATHOLRUYLKQ-AREMUKBSSA-N 439.559 5.165 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(CSc4nc[nH]n4)cc3)cc2)c1 609432698 KZTBOWHVANMWLN-UHFFFAOYSA-N 427.489 5.013 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H](CN4CCCCCC4)C3)cc2)c1 609433985 USNGFXOGAIAFSJ-JOCHJYFZSA-N 432.568 5.470 30 20 IKED CCOC(=O)c1sc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(C#N)c1C 609496357 NIXHHHZHTJQRQP-UHFFFAOYSA-N 445.500 5.216 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(-c4cn5cccnc5n4)cc3)cc2)cc1 609501276 BHBWPVXZUMJEKH-UHFFFAOYSA-N 445.482 5.507 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)c1 609505860 YMYXLYOTXCPYID-UHFFFAOYSA-N 448.910 5.047 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3c(cnn3C(F)F)c2)cc1C 610962260 XMNYCMOGQPLOCE-UHFFFAOYSA-N 434.450 5.078 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)nnc1-c1cccc(C)c1 617941942 DDAYGOCMWQUVSF-MJGOQNOKSA-N 438.622 5.345 30 20 IKED Cc1ccc(-c2noc([C@@H](C)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)n2)cc1F 618448691 ANPBUJNLZJWNTO-RTXFEEFZSA-N 425.348 5.308 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)cc1 619210343 NFABJWVQTNIBHV-HXUWFJFHSA-N 441.531 5.288 30 20 IKED C=CCn1c(SCCCc2nc(-c3cccs3)no2)nnc1-c1ccccc1F 623133896 NCMKRJOKLNUHEF-UHFFFAOYSA-N 427.530 5.107 30 20 IKED COc1cc(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OCC(F)(F)F 678208394 PCCFOEOVYBDGNC-TXEJJXNPSA-N 439.318 5.199 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 685066293 RPAOREFVNZPSDG-LEWJYISDSA-N 448.548 5.142 30 20 IKED CC(=O)Nc1cccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 728175143 KAQCFYPHHIQPMO-UHFFFAOYSA-N 434.496 5.044 30 20 IKED COc1ccc(/C=C/C(=O)c2sc(-c3ccccc3F)nc2C)cc1OCCCC#N 728442158 XIYVFIBPKXOJOV-PKNBQFBNSA-N 436.508 5.845 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2ccc(F)cc2s1 731069882 NASSZHVCNSVMMC-CYBMUJFWSA-N 428.510 5.230 30 20 IKED CC(C)(C)OC(=O)NC1CCC(=NNC(=S)Nc2ccc(SC(F)F)cc2)CC1 731924633 LJKIYZKVNAOPHC-UHFFFAOYSA-N 444.573 5.111 30 20 IKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC[C@@H]2c2ccc(F)c(F)c2)c1=S 732981220 RLCRZSVXOTUZHU-HXUWFJFHSA-N 430.499 5.479 30 20 IKED CC[C@@H](C#N)Oc1cc(CNCc2ccc(-c3ccc(Cl)c(Cl)c3)o2)ccc1OC 733330148 POYNCCJMQSGWMF-KRWDZBQOSA-N 445.346 6.233 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2ccc(OCC3CCOCC3)cc2)cc1 736955603 NDHFDZRSNLPKGS-AREMUKBSSA-N 441.531 5.791 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Cc3csc(Cc4ccc(F)cc4)n3)c2)s1 739591382 VZZWWCLVLNJGBB-UHFFFAOYSA-N 447.560 5.332 30 20 IKED CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccccc1 739748649 DQYXRUHDEDEADI-QFIPXVFZSA-N 447.560 5.169 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl 740783523 RBXZKOUDULXDAY-UHFFFAOYSA-N 425.916 5.387 30 20 IKED Cc1cccc(NC2CCN(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CC2)c1 741420458 OEBHYFORXVBTOJ-UHFFFAOYSA-N 430.577 5.381 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cc1OC 742889693 MBFXKRNNVSGMEC-INIZCTEOSA-N 426.513 5.098 30 20 IKED N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1 744038963 FGIIBNJEPBWNMJ-OAHLLOKOSA-N 426.259 5.142 30 20 IKED COc1cc(CNCc2cccc(-c3ccc(C#N)s3)c2)cc(Br)c1O 747099732 JPRBUKFRZVBLBN-UHFFFAOYSA-N 429.339 5.053 30 20 IKED CCOc1ccccc1-c1nnc(S)n1N=C[C@@H](C)c1cccc(Br)c1 747629652 HVUWVQXJQLBJBJ-CYBMUJFWSA-N 431.359 5.033 30 20 IKED N#CCc1ccccc1Cc1nc(-c2ccccc2-c2ccc(CN3CCCC3=O)cc2)no1 761543665 YTYCPWJYBOLSQJ-UHFFFAOYSA-N 448.526 5.183 30 20 IKED CCC(CC)c1cc[n+](/C(C(=S)NC(C2CC2)C2CC2)=C(/O)c2ccc(C#N)cc2)cc1 762441223 WRJJXVDYAPCIIT-UHFFFAOYSA-O 446.640 5.739 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 763367783 ATSIMPFFQVHXBD-GUDVDZBRSA-N 445.629 5.693 30 20 IKED N#Cc1cc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c([N+](=O)[O-])c1 764305912 ONAPAIGXBFGESO-UHFFFAOYSA-N 440.457 5.381 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1c(F)cccc1Sc1ccc(Cl)cc1 765106346 YPASMPXBNARQBT-AWEZNQCLSA-N 426.900 6.173 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CC=C(c3ccccc3Cl)CC2)ccc1OC 768944886 MQZLRKKMMCNMQR-LJQANCHMSA-N 439.943 5.028 30 20 IKED Cc1nc(NC(=O)c2ccccc2SCC#N)sc1Cc1ccc(F)c(F)c1F 773586118 SFDGSHNISDAFBH-UHFFFAOYSA-N 433.480 5.328 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)C(F)(F)F)CC2)cc1Cl 775517997 BTCKBVSFZVBGTL-SFHVURJKSA-N 449.860 5.371 30 20 IKED C=CCSc1ccccc1C(=O)OCc1csc(N(C(C)=O)c2ccccc2F)n1 777076082 MIGUBXSNAAQWHA-UHFFFAOYSA-N 442.537 5.602 30 20 IKED CC(C)(C)OC(=O)N1CCC([C@H](NCc2cc(C#N)ccc2F)c2ccc(F)cc2)CC1 782771541 PCGRCPYYGRTDNW-HSZRJFAPSA-N 441.522 5.314 30 20 IKED Cc1cc(Br)c2oc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc2c1 783076347 IXORJGNFCZELRQ-AWEZNQCLSA-N 431.673 5.118 30 20 IKED N#C[C@@H](C(=O)CC1CCC(C(F)(F)F)CC1)c1nc(-c2c(F)cccc2F)cs1 783364996 XHTXRKDHAGMNNZ-BPCQOVAHSA-N 428.426 6.023 30 20 IKED C[C@H](OC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1nnc(-c2ccccc2F)s1 784966908 FIDDPVGCIKHMPM-HNNXBMFYSA-N 447.495 5.039 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 788348828 MFWYINWUEUOYQU-YTQUADARSA-N 438.936 5.461 30 20 IKED Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCSC1=Nc1cccc(Cl)c1C 790069229 OUCYJXUMYYLWAP-UHFFFAOYSA-N 427.961 5.159 30 20 IKED C=CCn1c(-c2cccs2)nn(CN(CCC(F)(F)F)CC(F)(F)F)c1=S 790413886 QIHBHSHCVVAOLI-UHFFFAOYSA-N 430.443 5.103 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(C(F)(F)F)cc1 798820045 AHFUSVSIUZMKDA-BXUZGUMPSA-N 436.405 6.087 30 20 IKED CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 802665602 XWNTWPNPSCAPQI-HSZRJFAPSA-N 449.986 5.076 30 20 IKED C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1SCC(=O)Nc1ccc(C)cc1 804455502 HVQXHDWGGDNXGG-QHCPKHFHSA-N 442.584 5.090 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1nc(-c2ccccc2)cs1 915102062 NESRCCVFQLLGTG-KRWDZBQOSA-N 435.455 5.552 30 20 IKED COc1cc([C@@H](C)/N=C\c2cc(Br)ccc2O)ccc1OCc1ccncc1 915981689 VWZSODDKZOIMAG-FWWWNHOTSA-N 441.325 5.317 30 20 IKED Cc1ccccc1-c1nnc(S)n1N=Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 916341930 PMPIXYUEPAWYED-UHFFFAOYSA-N 447.951 5.330 30 20 IKED CCCOc1ccc(C(=O)CCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 916928605 OXFBLTUTSJEDBO-QGZVFWFLSA-N 447.318 5.093 30 20 IKED Cc1cccc2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c(Cl)c12 916929760 ACURJUYMSLMAHQ-LLVKDONJSA-N 437.735 6.131 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(OCc3cccs3)c2)cc1 916949485 OQJNIAJKDQSTKH-SBUREZEXSA-N 432.545 5.802 30 20 IKED N#C[C@@H]1C(CN(Cc2ccc(Cl)c(Cl)c2)C2CC2)=CC(=O)n2c1nc1ccccc12 917166425 JJKCPFFKVZKDKF-QGZVFWFLSA-N 437.330 5.195 30 20 IKED N#C[C@H](C(=O)CN1CCC[C@@H]1c1ccc(Br)cc1)c1nc2ccccc2s1 917205116 GHBOVKIVBARTPI-SJLPKXTDSA-N 440.366 5.072 30 20 IKED Cc1cc(C)c([C@@H](C)OC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(C)c1 920163976 PZPOFPYFMWAAAT-GOSISDBHSA-N 433.508 5.252 30 20 IKED CCn1c(O)nc2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)ccc21 1584655226 ZWSOHTMFFHBJJU-UHFFFAOYSA-N 446.894 5.118 30 20 IKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)c[nH]1 1788817012 QDOZWRHCQSBHOB-KRWDZBQOSA-N 426.520 5.012 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@H]4c4ccc(Cl)cc4)cc3)CCC2)C1 1789152723 VTBHIUQPPUOMRB-XZOQPEGZSA-N 434.967 5.544 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4ncncc4c3)cc2)CCC1 1789324279 ZBMNAUINAQPEPN-HSZRJFAPSA-N 440.547 5.146 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3oc4ccccc4c3C)CCC2)cc1 1790567499 JLSYSXNWKKSEGG-GOSISDBHSA-N 447.535 5.290 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4sccc4c3O)cc2)CCC1 1790933201 JXXWVBRSZBADLI-UHFFFAOYSA-N 432.545 5.158 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccccc3)CCC2)cc1)C(F)(F)F 1791305161 BUZNURWFCXCGNH-VQTJNVASSA-N 428.454 5.043 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCCCC(C)(C)C)c1 1801833784 XIPYYDDHIXPXLY-LSUHJGNXSA-N 437.628 5.562 30 20 IKED N#CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCCCCCCCc2ccccc2)CC1 1804283109 FTGBHUGCXHYOJV-QEIWAGNOSA-N 449.639 5.292 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@]3(F)CCCCC3(F)F)CC2)C1 1804862676 YAOKMGVIGNJWOB-HSZRJFAPSA-N 442.566 5.128 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)CCCCC)[C@@H]1c1cccnc1 1812693988 QKZAANZAGFBZOE-MZYLBHOOSA-N 427.633 5.296 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(OCC)c2)n[nH]1 1820648614 UMUBHPAWZKRNEQ-NRFANRHFSA-N 438.572 5.107 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3[nH]c(C)cc3c2)n[nH]1 1821584506 LEVVJIXFHCVNAZ-NZQKXSOJSA-N 445.567 5.274 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@]3(C)CC=CCC3)n[nH]2)c1 1822980463 HUMIDHNSNJYCHW-QGUBCYKSSA-N 445.567 5.089 30 20 IKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)s1 1825790693 MRPYTCJRLSYTJR-JPYJTQIMSA-N 449.620 5.231 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)cc2C)CC1 1828829996 OQZUOHKFLOYSGH-LADGPHEKSA-N 426.576 5.136 30 20 IKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)CC1 1830980831 VQFINLCOIITMJG-QFIPXVFZSA-N 436.621 5.247 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CSc2c(C)cccc2C)CC1 1831373410 OCSJRJSSULFHDD-GGAORHGYSA-N 442.669 5.227 30 20 IKED C=CCSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCCCCCCCc1ccccc1 1848064585 FUFYGWATWGIYGO-ZEQRLZLVSA-N 442.669 5.081 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Br)cc2)=C(/S)Nc2ccccc2)cc1 10170279 WLBYEQUGEOMZMX-UHFFFAOYSA-O 440.386 5.350 30 20 IKED O=C(/C(=C(/S)Nc1cc(Cl)cc(Cl)c1)[n+]1ccccc1)c1ccc(F)c(F)c1 10179164 NHPUPBBRKDBSHV-UHFFFAOYSA-O 438.306 5.610 30 20 IKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2cc(Cl)sc2Cl)ccc1Cl 10348340 OSMOSMMXJFOJHN-UHFFFAOYSA-N 431.728 5.120 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc([N+](=O)[O-])cc1)=C(/S)Nc1ccccc1Cl 10825597 ZAQGQGAQLRSKCI-UHFFFAOYSA-O 440.932 5.149 30 20 IKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccccc2Br)[n+]2ccccc2)c1 20834591 NQTCQCIPVKPKBC-UHFFFAOYSA-O 440.386 5.404 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1ccccc1C(=O)c1ccc(C)cc1 22664371 PGWSSEPMJJKPRK-IBGZPJMESA-N 447.556 5.048 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(C)c([N+](=O)[O-])c2)[n+]2ccccc2CC)cc1 22731042 UYRUFPVDIBHTSO-UHFFFAOYSA-O 448.568 5.366 30 20 IKED COc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(N(C)C)cc2)cc1 22731255 CXSOSSFUSBYKQX-UHFFFAOYSA-O 448.612 5.223 30 20 IKED C[C@@H](OC(=O)Cc1coc2ccc3ccccc3c12)C(=O)Nc1sc2c(c1C#N)CCC2 23977876 FKKZDWGKBAWMDF-CQSZACIVSA-N 444.512 5.121 30 20 IKED COc1cc(CN(C)C(=O)c2cccc(OCc3ccccc3C#N)c2)ccc1SC 58778616 YCDTZNCKFFLDNL-UHFFFAOYSA-N 432.545 5.140 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCCc1ccc(OCc2ccccc2)cc1 63402689 JVHPFSQQQVMCBR-UHFFFAOYSA-N 425.532 5.078 30 20 IKED C=CCN(C(=O)c1csc(CC(C)C)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 63570518 SKBIIALWGCDYPD-UHFFFAOYSA-N 428.539 5.206 30 20 IKED Cc1sc(NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)c(C#N)c1C 69260150 XUFNTJHWAGKORX-UHFFFAOYSA-N 441.622 5.278 30 20 IKED COc1cccc(-c2nc(/C=C/C(=O)c3ccc(SC(F)F)c(OC)c3)cs2)c1 72047595 HGUOTGBQYMWGGG-BQYQJAHWSA-N 433.501 6.038 30 20 IKED COc1ccc(-c2nc(S[C@@H](c3ccccc3)c3ccccc3C)nc(O)c2C#N)cc1 78874969 YHLBHHCNFVUVOP-DEOSSOPVSA-N 439.540 5.920 30 20 IKED C[C@H](Nc1cc(C#N)c([N+](=O)[O-])c(N[C@H](C)c2ccc(C#N)cc2)c1)c1ccc(C#N)cc1 301343549 JNUZTLFTTWSRAP-DLBZAZTESA-N 436.475 5.556 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC1(c2cccc(Br)c2)CCC1 303370826 JWEMEPHPSGVMKG-HNNXBMFYSA-N 444.398 5.902 30 20 IKED CCN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)[C@H](C)Cc1ccc(OC)cc1 303604497 KLLRDNFFHPDRNH-HXUWFJFHSA-N 428.532 5.239 30 20 IKED CN(Cc1csc(Br)c1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 303620777 MZRCQLXPEUTAFV-UHFFFAOYSA-N 441.350 5.233 30 20 IKED N#Cc1ccc(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)c(Cl)c1 430351964 KDOIRLYHFINPFV-PXDATVDWSA-N 443.934 5.330 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c(Cl)cc(F)cc2Cl)cc1Cl 431486438 VGHBJBAJBZLMJC-INIZCTEOSA-N 433.697 6.694 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CNc2ccc(C(C)(C)C(F)(F)F)cc2)cc1 432312339 OFVGXNLKDPYPLA-UHFFFAOYSA-N 433.474 5.284 30 20 IKED N#Cc1ccccc1CS(=O)(=O)Cc1ccc(Oc2cccc(Cl)c2Cl)cc1 437225602 DDZAPPJCOIFOGQ-UHFFFAOYSA-N 432.328 5.772 30 20 IKED COc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)ccc1OC(F)F 437477942 HMXDKAMKVYAGGZ-UHFFFAOYSA-N 428.366 5.352 30 20 IKED CN(Cc1ccncc1)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 438538460 DDNCXSLHCHSYJG-UHFFFAOYSA-N 426.398 5.428 30 20 IKED N#CCCCn1cc(C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)c2ccccc21 444158894 UZTARSOWFPDZPK-UHFFFAOYSA-N 428.467 5.201 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(CO)(Cc3ccccc3)CC2)cc1 444603330 RZMJANGUFXAZKU-UHFFFAOYSA-N 440.543 5.116 30 20 IKED Cn1cc([C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C(F)(F)F)cn1 446134232 CXBXSIAEVRLWRW-PKOBYXMFSA-N 447.848 5.154 30 20 IKED C=C(C)Cn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCC[C@H]1c1noc(C(C)C)n1 460949411 LKIHHZVGXGQAJW-KRWDZBQOSA-N 447.370 5.676 30 20 IKED Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3c(C#N)cnc4ccc(Cl)cc34)C2)cc1 462798516 LVYAFFDJMHFWOC-KRWDZBQOSA-N 433.943 5.106 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c2cc(Br)ccc2n1 464398154 KRXPFAKSNSMLIV-OAHLLOKOSA-N 434.215 5.210 30 20 IKED CCc1ccc([C@H](COC)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)o1 466069682 RREJFPVRMXIJST-IRLDBZIGSA-N 437.927 5.660 30 20 IKED COc1ccccc1-c1ccc([C@H](C)NC(=O)Nc2ncccc2OCCCC#N)cc1 466603596 CNEAAHOHKPSNEY-SFHVURJKSA-N 430.508 5.322 30 20 IKED N#CCSCCCSc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(F)cc1F 466615642 ASVZQBHZWLAKCC-UHFFFAOYSA-N 437.924 5.056 30 20 IKED CCOc1ccc(Br)cc1NC(=O)c1cn(CCCC#N)c2ccccc12 468769693 AUSTYAGLBSWABD-UHFFFAOYSA-N 426.314 5.359 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCC(=O)Nc1cc(Br)ccc1C 475552246 CAULBOSZPBDLKI-UHFFFAOYSA-N 444.373 5.370 30 20 IKED Cc1ccc(-c2cc(-c3nnc(SCCCSCC#N)o3)c3ccccc3n2)cc1 476517228 BEXBKPXNRVRRMK-UHFFFAOYSA-N 432.574 5.999 30 20 IKED Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 480378445 OBVHYUPGZDGCJW-UHFFFAOYSA-N 441.466 5.306 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C 480654798 VBMUXXPINWBTMT-JXFKEZNVSA-N 431.458 5.640 30 20 IKED C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 481098080 CEROTMRZFZQRDU-SCZZXKLOSA-N 444.326 5.412 30 20 IKED C=CCn1c(SCc2nc([C@H](C)SCC)no2)nc2sc3c(c2c1=O)CCCC3 481344622 UQEKWEOUVIWKKC-LBPRGKRZSA-N 448.639 5.012 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1nccc2ccccc12 483217785 XYOVNPUUDZPHLM-FQEVSTJZSA-N 433.389 5.931 30 20 IKED N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1nccc2ccccc12 483220912 QBEUTBFMYVTMJQ-NRFANRHFSA-N 425.469 5.784 30 20 IKED CCS[C@@H](C)c1noc(CN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)n1 483322848 LTWUIFWKYIDYBW-HNNXBMFYSA-N 437.525 5.212 30 20 IKED C=CCSc1ccccc1C(=O)N[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 485452631 CZNLWULFDBLJQI-SFHVURJKSA-N 434.561 5.438 30 20 IKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc2ncsc2c1 485675691 YRIHEOZVSUICNF-INIZCTEOSA-N 429.570 5.951 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 486578028 URKWSJBPIQAQDN-UHFFFAOYSA-N 437.565 5.227 30 20 IKED N#CCCC[C@@H](NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1 487157433 PLELKAAZXNCVEP-HXUWFJFHSA-N 443.494 5.923 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3cccs3)o2)nnc1-c1cccc(OC)c1 488908902 MATCAODOWXEFTH-CYBMUJFWSA-N 425.539 5.105 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(OC(F)F)c3ncccc23)o1 489955545 ILYUEWCESQJCJP-UHFFFAOYSA-N 435.386 5.132 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(CCc4ccccc4)n3)n2)cc1 499574066 MFQPPHBENNNIDE-LJQANCHMSA-N 445.569 5.550 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnccc3Oc3ccccc3)n2)cc1 501353089 PIRAFJIYKFUKSR-LJQANCHMSA-N 427.485 5.496 30 20 IKED C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 504287756 DXVWVNQAWDQFME-JTQLQIEISA-N 436.318 5.163 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 505006378 SRBJXSSNZDSNAR-HXUWFJFHSA-N 447.604 6.349 30 20 IKED C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 508105722 UJEAPTXZBYTNOF-GTNSWQLSSA-N 435.339 5.473 30 20 IKED C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCC[C@H](c2noc(C3CC3)n2)C1 508463132 DMYCELDUVQDWLL-AWEZNQCLSA-N 445.354 5.082 30 20 IKED CC(C)N(Cc1ccccc1F)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509558568 JECGHAJVOSBTRK-UHFFFAOYSA-N 431.511 5.913 30 20 IKED Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)ccc2C#N)c(Br)c1 510210346 QNVUOVBSFBIZKZ-UHFFFAOYSA-N 438.350 5.422 30 20 IKED CCN(CC)[C@@H](C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(C(F)(F)F)c1 510864134 FKVPAIZDHACYED-HRAATJIYSA-N 449.542 5.979 30 20 IKED Cc1ccc2oc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)cc2n1 511563440 BQYJOLVAQWEHSW-UHFFFAOYSA-N 442.422 5.326 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)c1ccc(C#N)cc1 512512998 CWMJPCKZRPWKNQ-CQSZACIVSA-N 426.398 5.647 30 20 IKED C[C@@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1nc2ccccc2n1C(F)F 513130434 UNRMIHYMLDDFCT-MRXNPFEDSA-N 446.457 5.373 30 20 IKED COc1ccc(CN2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1OCCCC#N 514097950 CFDVEEJXSKPFHM-NRFANRHFSA-N 432.524 5.155 30 20 IKED Cc1ccc(Nc2nnc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)s2)cc1 515178872 WDYFFPQKPFKGCG-GFCCVEGCSA-N 441.607 5.131 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OC 515539567 YEPHGQBNRQWOBL-CYBMUJFWSA-N 435.332 5.891 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c1 518372695 GNYXMDSLVNOKQX-UHFFFAOYSA-N 437.883 5.245 30 20 IKED N#C[C@H](C(=O)c1cc(Br)cs1)c1nc(-c2c(F)cccc2F)cs1 520088460 VQAVQEYZMYZTNB-SECBINFHSA-N 425.279 5.402 30 20 IKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)N1CCc2ccccc2C1 520834292 YMVBIRMOAQNLLO-HNNXBMFYSA-N 433.499 5.096 30 20 IKED N#CC1(NC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CCCC1 521479557 PRRNZOZLNSOYTB-LGMDPLHJSA-N 432.505 5.088 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCC[C@H]2c2ccccc2)cc1 522089666 VTNCWPXIOYFXGS-AZGAKELHSA-N 425.532 5.789 30 20 IKED Cc1ccc(-c2nc(C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)cs2)c(C)c1 523534136 QGDOLFGTGPRJGS-UHFFFAOYSA-N 427.533 5.353 30 20 IKED C=CCn1c(Sc2cc(C)nc(C3CC3)n2)nnc1-c1ccc(Br)cc1 523876076 NUTRGSSBIIKXIO-UHFFFAOYSA-N 428.359 5.021 30 20 IKED C[C@@H](NC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1)c1ccc(C#N)cc1 524317584 PDHIBORIMHUWFU-OAHLLOKOSA-N 428.879 5.420 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCSc1ccc2c(c1)OCCCO2 524635897 SDJQTAYBTQTYDY-INIZCTEOSA-N 428.579 5.363 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCO[C@@H](c2ccccc2C)C1 524700761 XFCLIMYCLQZXFU-AREMUKBSSA-N 441.531 5.360 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 525069194 TZOOUYUBBGOXAD-UHFFFAOYSA-N 447.922 6.241 30 20 IKED Cc1nnc(SCc2c(C(=O)N[C@@]3(C#N)CCC[C@H](C)C3)oc3ccccc23)s1 536076231 SQJRIJSSQZKWNF-ZSEKCTLFSA-N 426.567 5.087 30 20 IKED C=CCN(C(=O)[C@H]1CCC(=O)C[C@H]1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 538451402 URMZJRDFVCSNAA-JPYJTQIMSA-N 430.573 6.001 30 20 IKED Cc1c(C(=O)Nc2cc(C#N)ccc2OC(F)F)sc2nc(C(F)(F)F)ccc12 551349500 GBBJKDYODRDEFH-UHFFFAOYSA-N 427.354 5.349 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCc2cc(Br)cc(F)c2C1 552977566 RSJRSQMWGJVLNT-CYBMUJFWSA-N 448.361 5.430 30 20 IKED CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 553593860 SQXPETBWZUHRDN-UHFFFAOYSA-N 438.483 5.576 30 20 IKED C=C(C)Cn1c(-c2cccn2C)nnc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1 565493632 RBIJZVTXEZIVQH-UHFFFAOYSA-N 436.947 5.038 30 20 IKED COc1ccc(Cc2nc(C)c([C@@H](C)NC3(c4cccc(C#N)c4)CC3)s2)cc1OC 569268628 GJVUNKBARIISGE-QGZVFWFLSA-N 433.577 5.271 30 20 IKED N#Cc1cccc(-c2cc(-c3nc(-c4ncoc4-c4cccc(C(F)(F)F)c4)no3)on2)c1 577211357 ALZRKUNTPXRQPN-UHFFFAOYSA-N 449.348 5.604 30 20 IKED Cc1cc(C)c(C(=O)CCCC(=O)N[C@H](C#N)c2ccccc2Br)c(C)c1 603471144 LYTAGZZKTPGGSA-LJQANCHMSA-N 427.342 5.108 30 20 IKED CCCOCc1ccccc1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1 603927934 BUTAXPKDOSWLDW-UHFFFAOYSA-N 430.573 5.707 30 20 IKED O=C(Nc1ccc(Br)c(F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 608328716 JZRBENSJNUXDML-OCAPTIKFSA-N 437.153 5.183 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(CCC3CCCCC3)o2)c1 608929528 DJWPZRWHXIXBCN-LJQANCHMSA-N 440.613 5.627 30 20 IKED COc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)ccc1OC(F)F 609061592 FCAOFMSSDZFSAJ-UHFFFAOYSA-N 438.430 5.308 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(NC2CCCCC2)s1 609371033 UZKMUWZIYCFGAH-AWEZNQCLSA-N 447.655 5.265 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)CCCCOc1cccc(C#N)c1 609504783 GCKWSNWZXBILEA-MRXNPFEDSA-N 437.540 5.556 30 20 IKED COCCOCc1cccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 609601981 WQAZTSGOVBJMQH-UHFFFAOYSA-N 447.491 5.166 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3c(-c4ccccc4)ncn3C3CC3)c2)cc1 609647617 GXUIBTQSWWFNET-UHFFFAOYSA-N 434.499 5.588 30 20 IKED CC(C)n1c([C@@H](C)NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)nc2ccccc21 609883047 DXEVAULLMQMKKB-QGZVFWFLSA-N 428.492 5.152 30 20 IKED CC[C@@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609943091 GZEPNLSVJXQNFZ-DEOSSOPVSA-N 427.504 5.289 30 20 IKED C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 610016690 MDMKODHNRNVMHP-INIZCTEOSA-N 428.467 5.101 30 20 IKED C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 610016765 SDOMWHOSSAEOAO-MRXNPFEDSA-N 428.467 5.101 30 20 IKED CSc1cccc([C@H](NC(=O)NCc2ccc(C#N)cc2F)c2ccc(F)c(F)c2)c1 610402312 HQSSQXOEJYJQHU-QFIPXVFZSA-N 441.478 5.286 30 20 IKED N#Cc1cc(Cl)c(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c(Cl)c1 611488342 MBGZUHFMBXBKNR-OAHLLOKOSA-N 432.355 5.051 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(Cc1ccc(F)cc1)C1CC1 612805417 XCAXNANWIPKALF-NHAGDIPZSA-N 426.376 5.409 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1OCC 613392070 DCMOCWJRVZRNSJ-KRWDZBQOSA-N 440.952 6.141 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1(c2cccc(F)c2)CCCCC1 619556570 UKJMCRUSYNUVIS-GJZGRUSLSA-N 439.415 6.053 30 20 IKED C[C@H](NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccccc1OC(F)F 642796010 BUFKHEGTNFEDEL-DCAQKATOSA-N 448.354 5.558 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(F)c1Br 644890254 AEPNHVSMFLEXIS-HTQZYQBOSA-N 436.165 5.228 30 20 IKED C=CCC[C@@H](N[C@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccc(C(F)(F)F)cc1 681394681 VQYZVQRVBWQGAZ-MOPGFXCFSA-N 427.463 5.360 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)NC(=S)N[C@H]1c1ccc(Cl)c(C(F)(F)F)c1 727352098 VSXMSJMKZBPHPU-KRWDZBQOSA-N 428.838 5.017 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 728024356 DROPHRXTDOAKJY-UHFFFAOYSA-N 433.464 5.330 30 20 IKED N#Cc1cccc(COc2ccc(N[C@H](C(=O)NC3CC3)c3ccccc3)cc2Cl)c1 728062827 VUNYXANLNWULAK-DEOSSOPVSA-N 431.923 5.222 30 20 IKED N#C[C@@H](C(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1 728766962 QLPAKXFLKDDKKK-IRXDYDNUSA-N 434.870 6.376 30 20 IKED Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 730375512 IUORYZBLSBKXTH-KRWDZBQOSA-N 432.451 5.291 30 20 IKED O=C(/C=C\c1cc(Br)ccc1OC(F)F)c1ccc(N2CCCC2=O)cc1 730579403 MMVLLUQOFLPFRH-UITAMQMPSA-N 436.252 5.073 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 730990407 WFRQPVPDIVGJAZ-XJKVJRSZSA-N 433.415 5.611 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)ccc1OC 733655267 YYVJRYRFNDKZSS-MRXNPFEDSA-N 436.339 5.025 30 20 IKED CCOc1cc(/C=C\C(=O)c2sccc2C)ccc1OCC(=O)N(C(C)C)C(C)C 733749608 PYBFKIUMNGNFDT-NTMALXAHSA-N 429.582 5.376 30 20 IKED COc1cc(CSCc2c(C)nn(C)c2Cl)ccc1OCc1cccc(C#N)c1 735084762 SLNAWRRRTVULEO-UHFFFAOYSA-N 427.957 5.275 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H](CC)Cc2cccc(Br)c2)c1 735248762 FKUJIMQXAYZJKD-QUCCMNQESA-N 429.358 5.015 30 20 IKED COc1ccc(Cl)cc1NC(=O)CCSCc1cc(Cl)ccc1OCC#N 735319775 AZLHANUZEUMDKL-UHFFFAOYSA-N 425.337 5.166 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2cccc(Oc3nccs3)c2)c1 736916820 AAUNXHBCCWFSGJ-SFHVURJKSA-N 449.532 5.044 30 20 IKED C=CCCSC1=N/C(=C\c2ccc(N(C)C)cc2)C(=O)N1c1ccc(OC(F)F)cc1 739432865 YIZOBTHPQWNFPP-HKWRFOASSA-N 443.519 5.407 30 20 IKED CCN(Cc1ccc(OC)cc1OC)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740058819 CRTZPQAJOSQDGO-UHFFFAOYSA-N 435.549 5.036 30 20 IKED Cc1ccc(-c2nc(CCNC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)co2)cc1 740479945 HPUOTSFPQJNJBM-UHFFFAOYSA-N 442.544 5.292 30 20 IKED O=C(/C=C/c1ccc(OCc2occc2C(=O)O)cc1)c1cccc(-c2ccncc2)c1 741473484 QOABDEJICHXKMF-RMKNXTFCSA-N 425.440 5.515 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)/C(=C/c3ccc(F)cc3)c3cccs3)o2)cc1 741831907 NBSKCWVBGHNBHN-XDHOZWIPSA-N 431.448 5.093 30 20 IKED Cc1ccc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cc1NC(=O)OC(C)(C)C 742646402 NYWBFEWMJCBUOH-QGZVFWFLSA-N 434.323 5.644 30 20 IKED C[C@@H](OC(=O)C[C@@H](C)c1ccccc1C(F)(F)F)C(=O)N(CCC#N)c1ccccc1 745217161 JEJTVAOYDHFJGN-IAGOWNOFSA-N 432.442 5.078 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)C[C@@H](C)O1 747395458 GNFAAQWVBSAHBC-KDURUIRLSA-N 443.572 5.575 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=S)NC23CC4CC(CC(C4)C2)C3)cc1 751009436 FJNYBJSAOJECOZ-UHFFFAOYSA-N 433.596 5.543 30 20 IKED Cc1ccc(C(=O)N(CCC#N)CC(C)C)cc1NC(=O)c1ccc(Br)cc1 751380909 RMMWBFASGGBCBQ-UHFFFAOYSA-N 442.357 5.022 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)Nc1ccccc1SC[C@H](C)C#N 756480693 TZZAASLXRKUNLZ-AOIWGVFYSA-N 446.617 5.238 30 20 IKED CC[C@@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC[C@@H]1NC(=O)OC(C)(C)C 757388816 RRFJMGYBBNYFLT-XXBNENTESA-N 449.551 5.116 30 20 IKED C[C@H]1c2cc(Cl)c(Cl)cc2CCN1CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 759412341 HOQDUODNZGBJEI-GUYCJALGSA-N 437.330 5.150 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NC3CCC(O)(c4ccccc4)CC3)c2)cc1 760924211 NSBXBPFPNMNJIE-UHFFFAOYSA-N 427.504 5.302 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)cc1 764301215 KYXHMEUXRRVOJD-UHFFFAOYSA-N 432.823 5.345 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC(Oc3cc(C)ccc3C)CC2)c1=S 764913292 KQIPRXHNJMANIU-UHFFFAOYSA-N 449.624 5.170 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN(C)C[C@H]2CCCO[C@H]2c2ccccc2)c1=S 764948327 ZVNBDMBEFPISFS-PKTZIBPZSA-N 449.624 5.109 30 20 IKED CN(CCCC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)C(=O)OC(C)(C)C 777297522 QLBMZZAAORMOEM-CYBMUJFWSA-N 441.475 5.138 30 20 IKED CCCOc1c(Cl)cc(/C=C2/CN(C(C)=O)Cc3ccccc3C2=O)cc1OCC 778520299 SIBFGJMMFPNSIF-ODLFYWEKSA-N 427.928 5.156 30 20 IKED N#Cc1cc(NC(=O)c2ccc(S[C@H]3CCOC3=O)cc2)ccc1Oc1ccccc1 779201658 FQVOYIGBYOOXIY-QFIPXVFZSA-N 430.485 5.010 30 20 IKED N#C[C@@H](C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1nc2ccccc2o1 780319019 LDGSSLMQJKKGCZ-NRFANRHFSA-N 436.446 5.239 30 20 IKED Cc1cc(Br)c2oc(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)cc2c1 782347750 BUBZNBUQFKBHKU-UHFFFAOYSA-N 434.633 5.189 30 20 IKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCc3ncsc3C2)c1=S 783547305 RFIAKJZXCNSDGX-UHFFFAOYSA-N 425.627 5.037 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)NCc3cccc(Cl)c3)s2)c(C)c1 786533582 FQBZIYYQGFCRLZ-LJQANCHMSA-N 437.952 5.028 30 20 IKED CC[C@@H](C#N)Oc1cccc(CN[C@H](c2cccc(Br)c2)C2CCOCC2)c1 786581672 VJSWVQKIDAEGAD-GMAHTHKFSA-N 443.385 5.388 30 20 IKED CC[C@H](NC(=O)[C@H](C#N)C(=O)c1sc(-c2ccccc2)nc1C(F)F)c1ccccc1 787034784 BLGXHIDOLXQJHA-SJORKVTESA-N 439.487 5.338 30 20 IKED CC[C@@H](NC(=O)[C@@H](C#N)C(=O)c1coc2c(C)cc(Br)cc12)c1ccccc1 787044128 FLXUPZLFWKWKHN-PKOBYXMFSA-N 439.309 5.094 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 789183264 PCDZFEROZFJTPE-HRAATJIYSA-N 433.487 5.266 30 20 IKED C=CCN(C(=O)c1cncc(Cl)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 790162762 LTPXNAZJNKVGBY-UHFFFAOYSA-N 425.728 5.393 30 20 IKED C[C@H](O)[C@](C)(CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)Cc1ccccc1 792230097 UWPGUYSSRZGJFU-FESMNKHTSA-N 427.548 5.093 30 20 IKED CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 793126001 COMFSTPMOGJQOQ-QAPCUYQASA-N 429.467 5.669 30 20 IKED N#CC1CCC(CNC(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)CC1 799386161 QGQLGABBRFRLNN-UHFFFAOYSA-N 449.352 5.119 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 799398103 BWIIODSJZUPVLF-MSOLQXFVSA-N 446.617 5.240 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1coc(C2CCCCC2)n1 802043212 TZCHRPWHHURDLP-LJQANCHMSA-N 429.476 5.476 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)n1 805891634 WBEMIINQGSCJOM-HKUYNNGSSA-N 441.597 5.735 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2F)cs1 814192015 WREHEVNTTWLCRD-YHYXMXQVSA-N 425.441 5.080 30 20 IKED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(C)C)cc2)N([C@H](c2ccccc2)C2CC2)C1=O 914542669 HKDBBYDAOKDZQR-JTHBVZDNSA-N 435.593 5.029 30 20 IKED CN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccc(F)cc2)n(-c2ccccc2)c1=S 914783093 DWKFADPOPOXHHJ-UHFFFAOYSA-N 429.524 5.171 30 20 IKED Cc1sc2ncnc(SCC(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c2c1C 915106246 ABKINNSPQCTQCK-LBPRGKRZSA-N 443.504 5.022 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ccc(C(F)(F)F)cn2)cs1 915917635 IYWHRNBJCCAIIM-UHFFFAOYSA-N 439.850 5.341 30 20 IKED COc1ccc2cc(C=Nn3c(C)nc4scc(-c5ccccc5)c4c3=O)ccc2c1 916309509 HISLMNSCYCIGEN-UHFFFAOYSA-N 425.513 5.477 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1 916679508 QBVIVGCIDDPVDW-NOZRDPDXSA-N 434.543 6.235 30 20 IKED C[C@@H](Sc1ccccc1Cl)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916885942 APBMUDNGQZKFNZ-BXUZGUMPSA-N 440.924 5.483 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 916897568 OXGPXNYCJZYTHU-SFHVURJKSA-N 443.450 5.027 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1 916949054 LDIMRFWDGNZRNF-KKSFZXQISA-N 449.938 5.789 30 20 IKED Cc1ccc(OCc2ccc(C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)o2)c(C)c1 920103900 HHSQAULCJNQIFX-HXUWFJFHSA-N 426.472 5.471 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3c(C)nn(-c4ccccc4)c3C)n2)cc1 920139633 WIOJBGDWHYXSLS-JOCHJYFZSA-N 442.544 5.040 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)cc1 920234990 PGOJPRMBAVWSAR-ARMFNRFLSA-N 425.532 5.631 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cnnc4ccccc34)cc2)CCC1 1788958196 ZXGFBYTUPBCRMN-UHFFFAOYSA-N 440.547 5.146 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)[nH]n3)cc2)CCC1 1790127235 MODLJQNEBMOPRF-UHFFFAOYSA-N 440.547 5.018 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc4sc(C)cc4[nH]3)cc2)CCC1 1790878421 SZTMWUMRJASPDE-UHFFFAOYSA-N 439.606 5.205 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1)C(F)(F)F 1791302484 MVAXIDJUMWMWAF-UHFFFAOYSA-N 447.844 5.078 30 20 IKED N#CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCCCc1ccccc1 1804260012 JVGTWQDQKTZPQT-QEIWAGNOSA-N 437.628 5.292 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 1810175266 UMZDHVAPYQGDPG-TWJOJJKGSA-N 445.607 5.293 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ncsc23)n[nH]1 1819152309 LAZRIAWHWBYNMT-FQEVSTJZSA-N 449.580 5.094 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3[nH]c(C)cc3c2)[nH]n1 1819308824 DQLOMOQZGRKGSV-REWPJTCUSA-N 445.567 5.274 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C)c(F)c2F)n[nH]1 1823194884 WBFNMAUZSWIADF-APWZRJJASA-N 442.510 5.071 30 20 IKED CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](C)ON=C(C)C)CC2)CC1 1831562404 PVPWLBGTHUFTEL-KOVSNXQUSA-N 447.664 5.014 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(CC)cc2)cc1 10173955 AJVBVRSUTXSQSY-UHFFFAOYSA-O 447.624 6.110 30 20 IKED Cc1ccccc1N/C(S)=C(\C(=O)c1ccc(C(C)C)cc1)[n+]1ccc2c(c1)CCCC2 11168360 ILBPLOKFOFRRNQ-UHFFFAOYSA-O 443.636 6.336 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 17187547 VOJXWOKFEZPPEY-GOSISDBHSA-N 439.471 5.101 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc(NC(C)=O)cc1)C(=O)c1ccccc1 18064908 NSFNKRBXRMITTJ-XIEYBQDHSA-N 440.543 5.675 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)nnc1-c1cccs1 216429602 DZRRUXWYRPGFDU-NSHDSACASA-N 439.393 5.619 30 20 IKED CC[C@@H]1Oc2cc([C@@H](C)NCc3cccc(OCc4ccccc4C#N)c3)ccc2NC1=O 236979501 MSVQVBMRJZYDAA-CJAUYULYSA-N 441.531 5.098 30 20 IKED CN(CCC#N)c1ccc(CNC[C@@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 237119257 MWNRXGPSUDIBNT-XUZZJYLKSA-N 444.545 5.228 30 20 IKED COc1ccc(-n2c(S[C@H](C)c3ccc(C#N)cc3)nnc2-c2ccccc2OC)cc1 303679191 IOBBFFFYZGUUFQ-QGZVFWFLSA-N 442.544 5.676 30 20 IKED C[C@@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1nc(-c2ccccc2)cs1 428712270 QCLQKUCQZFIFAT-QGZVFWFLSA-N 427.533 5.078 30 20 IKED CCSc1nccnc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 430517802 AKABKRFGMGDNAB-GFCCVEGCSA-N 435.361 5.509 30 20 IKED C[C@H](NC(=O)[C@H](C#N)CCc1ccccc1)c1ccc(NC(=O)Nc2ccccc2)cc1 433221097 OSJGNDVHDLAOHQ-UGKGYDQZSA-N 426.520 5.280 30 20 IKED CN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 438658294 ZMPVRIMMJITVFN-UHFFFAOYSA-N 440.547 5.479 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1F 438665225 CRVKIAKQDOFQFJ-HXUWFJFHSA-N 445.450 5.587 30 20 IKED CCCc1c(NC(=O)CCCc2nc3ccccc3s2)cnn1-c1cccc(C#N)c1 440087283 JQQOCUJDGWJOCV-UHFFFAOYSA-N 429.549 5.268 30 20 IKED C=CCC[C@H](NC(=O)NCc1csc([C@H](C)OC)n1)c1ccc(C(F)(F)F)cc1 440848321 VOCKIJNZIPQDRC-GUYCJALGSA-N 427.492 5.376 30 20 IKED N#CC1CCC(CNC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)CC1 440918983 PBRAXDHOOBWVGI-UHFFFAOYSA-N 444.457 5.409 30 20 IKED Cc1ccc([C@H](Cn2ccnc2)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C)c1 442203321 BUGXLOHPLIKACZ-UGKGYDQZSA-N 433.581 5.457 30 20 IKED CCC[C@@]1(C)CCCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)C1 442624345 QRMBRXXGOZUKJO-FQEVSTJZSA-N 441.519 5.078 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC1(c2cccc(OC)c2F)CCOCC1 446266848 MSWLFHPVGXVKSQ-UHFFFAOYSA-N 426.532 5.514 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 447419579 VCMVSVSIPVWSMN-KRWDZBQOSA-N 447.516 5.678 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H]2CCCN(c3ccccc3)C2)cc1 447730131 JBHWDIHCUITDOZ-HSZRJFAPSA-N 441.600 5.497 30 20 IKED C=CCOc1ccccc1CNC(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2OC)cc1 465891714 LJEYUTGNPFFLDA-FQEVSTJZSA-N 430.548 5.830 30 20 IKED Cc1ccccc1O[C@H](C)CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 466170619 SZKHYLFEXXSMEF-HXUWFJFHSA-N 429.520 5.229 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1 466674882 BMPIRNXCJSZLAZ-LJQANCHMSA-N 437.503 5.727 30 20 IKED N#CCCCn1cc(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c2ccccc21 468906988 JGNMWWAOXRLEFO-JOCHJYFZSA-N 442.346 5.466 30 20 IKED C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 469916370 INQGBUUTWOXTTD-IONNQARKSA-N 430.299 5.022 30 20 IKED Cc1csc(Sc2ccc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)cc2[N+](=O)[O-])n1 474436772 FVCYVJHCFZYSFB-CYBMUJFWSA-N 444.563 5.581 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 475550541 OGVYHYWRNPPRPV-UHFFFAOYSA-N 440.657 5.642 30 20 IKED Cc1ccc(C#N)cc1NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 477109191 KOCMKCVDHSCKDD-JYNKYNDGSA-N 444.419 5.928 30 20 IKED CCC(CC)[C@H]1C[C@@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CCO1 477529547 JSYGEFHCIKPTSJ-WIOPSUGQSA-N 435.568 5.551 30 20 IKED C=C(C)[C@@H](NCc1csc(N(C(C)=O)c2ccc(C)cc2)n1)c1ccc(F)c(F)c1 479418485 UPXLTLZSYHFXSR-JOCHJYFZSA-N 427.520 5.821 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1cnc2ccccc2n1 483222049 BCPZNFKQYQCASS-KRWDZBQOSA-N 439.862 5.219 30 20 IKED C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(CC(=O)Nc2ccccc2SCC#N)C1 485972564 IXXSHYOIZDWKGW-BEFAXECRSA-N 433.499 5.343 30 20 IKED CC(=O)N(c1nc(COc2c(C#N)cnc3ccc(C)cc23)cs1)c1ccccc1F 488264722 KUOILRZZJRKRBG-UHFFFAOYSA-N 432.480 5.274 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(CSc2nc(C(F)(F)F)ccc2C#N)cs1 488727006 AACLEPBLAUTEDF-UHFFFAOYSA-N 448.495 5.714 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)c1C#N 490085659 BVDNSBGUJKQGNO-UHFFFAOYSA-N 442.544 5.366 30 20 IKED N#Cc1cccc(NCC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCC3)c1 494948826 LPVNPQVBWIETOK-UHFFFAOYSA-N 430.558 5.436 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCCCO[C@H]1CCC[C@H](C)C1 499618364 TWQYNBSISPVFJL-UGKGYDQZSA-N 435.568 6.148 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 499891031 BHDKMLWSQHWTQZ-BEFAXECRSA-N 447.507 5.145 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)Nc3cccc(COCc4ccco4)c3)cc2)c1 503200744 OSNHNFSZMLPKRW-UHFFFAOYSA-N 439.471 6.304 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2c[nH]c3ccccc23)cc1Cl 503512779 JGPZGEIXFURAEW-QFIPXVFZSA-N 428.923 5.841 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 506617673 URRMLXQIOSAYBP-INIZCTEOSA-N 437.392 5.122 30 20 IKED O=C(NCc1ccc(OCC(F)(F)F)cc1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 508767549 ZEJZIVMDSPFINN-INIZCTEOSA-N 438.343 5.260 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 510046819 YTDFSEOKSKBXQF-BTYIYWSLSA-N 434.883 5.786 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C3CCC(OC(F)F)CC3)cc2Cl)c1 510824297 CLBJKOHKRXNSCE-UHFFFAOYSA-N 434.870 5.527 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@]2(CCc3ccccc32)C1 510828946 ZREQUHLGAUBTEI-HHHXNRCGSA-N 439.515 5.365 30 20 IKED CC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccccc1S[C@H](C)CC#N 511696008 SFXVPYBYGCDOQP-CYBMUJFWSA-N 447.354 5.063 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 515058031 KOSODWAYQVFPFZ-IAGOWNOFSA-N 441.000 5.066 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ccc(Cl)s2)n1)c1nc2ccccc2n1C(F)F 516713675 GREXWESEQSMOES-VIFPVBQESA-N 434.880 5.760 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCCOc1ccc(F)cc1F 519434078 NSTHMILZJRWGEN-UHFFFAOYSA-N 444.425 5.787 30 20 IKED CC(=O)Nc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c(C(F)(F)F)c1 519904942 LGGNYRTVGZCQBZ-UHFFFAOYSA-N 432.446 5.226 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 520924046 GEVOSKLRDAKWBS-ZDUSSCGKSA-N 449.523 6.281 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cccc(N2CCCC2=O)c1 520938923 GRXVQVNCPYSTSZ-SFHVURJKSA-N 440.503 5.360 30 20 IKED COCCN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H](C)c1ccccc1 521209026 NMSHCVKITMBPDO-OAQYLSRUSA-N 443.547 5.573 30 20 IKED Cc1cc(COc2ccc(C(=O)Nc3ccc(Cl)c(C#N)c3)cc2Br)no1 521390244 PMYSRRJWHOSETR-UHFFFAOYSA-N 446.688 5.102 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@@H](C)c1ccc(OC(F)F)cc1 522962580 KKYIOLWWRGJPMZ-GJZGRUSLSA-N 436.549 5.973 30 20 IKED Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)n1 532223746 KYRVHLUOKWVWRZ-VWLOTQADSA-N 426.520 5.518 30 20 IKED Cn1ccnc1[C@H](NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 532501906 NWBSDNLKRBCRHN-QGZVFWFLSA-N 431.355 5.476 30 20 IKED N#CC1(c2ccc(C(=O)NCC3(c4ccc(Cl)cc4Cl)CCOCC3)cc2)CC1 537426963 KDSVPKGYHVCHPW-UHFFFAOYSA-N 429.347 5.027 30 20 IKED Cc1cc(-c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)c3cnn(C(C)C)c3n2)c(C)o1 537476901 XUSJRMFSVZBVFG-GOSISDBHSA-N 439.475 5.520 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1 537928628 YWXOYVGHKSCLDG-ZEQKJWHPSA-N 441.531 5.345 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nn1-c1cccc(Cl)c1 538578164 GZLXKZKYAOHNDW-LJQANCHMSA-N 443.919 5.319 30 20 IKED N#CC1(c2ccc(C(=O)Nc3ccc(Cl)cc3-c3nc(C4CCCC4)no3)cc2)CC1 540761677 WIMYAAJUUOJHOU-UHFFFAOYSA-N 432.911 5.855 30 20 IKED CC[C@H](N[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)c1nc(C(F)(F)F)cs1 541636872 HTIBEBNWRUFOCJ-RDJZCZTQSA-N 438.519 5.155 30 20 IKED C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1nc(C(C)(C)C)cs1 544477518 PMYSJHFIWSETNT-AWEZNQCLSA-N 430.643 5.322 30 20 IKED Cc1ccc(Oc2ncccc2-c2noc(-c3ccc(C#N)cc3)n2)c(Br)c1 545838303 DTPRBFLBABNJBO-UHFFFAOYSA-N 433.265 5.534 30 20 IKED C=C(C)Cn1c(SCc2nc(Cc3c(F)cccc3Cl)no2)nnc1-c1ccco1 546259678 BDTUBAVXXHTVCT-UHFFFAOYSA-N 445.907 5.173 30 20 IKED Cc1n[nH]c(C)c1NC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 548512755 YSDGWRZHZDEAQA-GFCCVEGCSA-N 448.289 5.489 30 20 IKED N#CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCc2ccccc2)CC1 549541503 CDCHEMVNCICJSF-UHFFFAOYSA-N 426.351 5.235 30 20 IKED CCN(C(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1)[C@@H](C)c1ccc(C#N)cc1 549559084 DORDIOUQWDTFBX-INIZCTEOSA-N 436.943 5.179 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)c3nc4ccccc4cc3Br)n2)c1 554735111 IUXDKVPIHKXQCJ-UHFFFAOYSA-N 435.306 5.245 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@]2(C1)OCc1ccccc12 555220895 IXLQNHTUUNATJM-KDYSTLNUSA-N 444.579 5.247 30 20 IKED C[C@@H](NCC(=O)N(C)c1nc2ccccc2s1)c1ccc(-c2cccc(C#N)c2)cc1 557931793 TXXPBEYRZRZJIA-QGZVFWFLSA-N 426.545 5.149 30 20 IKED COc1cc2c(cc1F)CC[C@H]2NC(=O)c1ccccc1SCc1ccc(C#N)cc1 558740384 HSVRTFWSIPIWIT-JOCHJYFZSA-N 432.520 5.416 30 20 IKED N#Cc1ccc(N2CC[C@@H](c3nc(-c4ccc(Oc5ccc(F)cc5)nc4)no3)C2)c(F)c1 564594590 IHIJDUBSOVBRDM-QGZVFWFLSA-N 445.429 5.068 30 20 IKED COc1ccc(Br)c2[nH]c(C(=O)N[C@@H](CCCC#N)c3ccccc3)cc12 578351526 WAOJZZYCSDTVOA-KRWDZBQOSA-N 426.314 5.104 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)cc1 582087331 FPXFWKDIFRIVRM-JOCHJYFZSA-N 442.519 5.677 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Oc2cc(C)ccc2C)nc1 603809876 DAHBQTQXJFQISM-UHFFFAOYSA-N 428.536 5.484 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2Cc2ccc(F)cc2)cc1 604085427 HIDCQWMEKZEWBI-DEOSSOPVSA-N 443.522 5.710 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)Cc3cc4ccccc4o3)s2)c(C(F)(F)F)c1 604383158 ITIVQIIESMVNGZ-UHFFFAOYSA-N 441.434 5.552 30 20 IKED C[C@H](CC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F 607477578 XZHYACJCKVODEK-WOPDTQHZSA-N 435.330 5.788 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@H](c4ccccc4)CC3)s2)cc1 608995029 XRAWYRDJZQQPAW-FQEVSTJZSA-N 449.605 5.504 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCCN1CCC(C)CC1 609079188 OCLPENNDFBHEOB-UHFFFAOYSA-N 434.584 5.079 30 20 IKED CC(C)(C)N1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 609079858 MKIKMYXTJKERHV-UHFFFAOYSA-N 440.975 5.129 30 20 IKED CSCc1nc2ccccc2n1CC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609176892 WEBJMEJMXHHGCN-UHFFFAOYSA-N 428.517 5.202 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H](c2cc3ccccc3[nH]2)C1 609385109 PBZVHHLSLRWUPI-QUCCMNQESA-N 432.593 5.238 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cc(Br)ccc2F)cc1 609516061 FIEQTBLNKBEOBV-UHFFFAOYSA-N 425.257 5.291 30 20 IKED COc1ccccc1-c1csc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)n1 609643431 KYDVBXGTBOJPTK-UHFFFAOYSA-N 441.512 5.522 30 20 IKED N#Cc1ccc([C@@H](Nc2ccc(Oc3ccc(Cl)cc3Cl)c(F)c2)C(N)=O)cc1 609676514 KADYLAPGACBLRV-HXUWFJFHSA-N 430.266 5.435 30 20 IKED COc1ccc(CN(C)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1OC 609729593 JUSXVGDSGQLKPP-UHFFFAOYSA-N 436.895 5.293 30 20 IKED Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609939203 UQBPBKWNTGQUCN-JOCHJYFZSA-N 443.503 5.020 30 20 IKED COc1ccc2sc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c(C)c2c1 610223685 BRZXJZNVRGCRQF-UHFFFAOYSA-N 429.501 5.838 30 20 IKED C[C@@H](NC(=O)c1cccnc1Oc1ccc(F)cc1Br)c1cccc(C#N)c1 610361544 GWFGPEBKBNISDC-CYBMUJFWSA-N 440.272 5.138 30 20 IKED Cc1cccc2sc(C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)c(Cl)c12 611256983 HUGDODCDFFFUPX-UHFFFAOYSA-N 425.941 5.250 30 20 IKED CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1c(Cl)cc(C#N)cc1Cl 611355367 AQBXXXVMFVFGFP-BTDLBPIBSA-N 442.140 5.134 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 618750546 QLUJDDFYKBZDLB-JOCHJYFZSA-N 430.895 5.273 30 20 IKED N#C[C@H](C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1ccccn1 620347555 WEVBSFAWBWKJGL-IBGZPJMESA-N 443.304 5.187 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1ccc(F)c(Br)c1 672845916 ITASRBOHIWHJOH-OAHLLOKOSA-N 437.357 5.215 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 673813973 JQVGVNMWIMTMEM-CQSZACIVSA-N 435.496 6.207 30 20 IKED O=C(c1cc(Cl)ccc1OC(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 673989035 SEPAHFKZLNKFEJ-HTQZYQBOSA-N 425.703 5.144 30 20 IKED Cc1cc(Br)c(F)cc1NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 681181203 NJQIGTPTHSSHKI-YUMQZZPRSA-N 437.153 5.101 30 20 IKED CC(C)(C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(Cl)c1F 681223002 FZCXRXLKSBVTMT-UWVGGRQHSA-N 433.795 5.782 30 20 IKED COc1ccc(OCc2ccccn2)c(C=NNc2ccc(OCC(F)(F)F)cc2)c1 727258034 PTRKHZREEZBQMT-UHFFFAOYSA-N 431.414 5.056 30 20 IKED N#C[C@@H](C(=O)/C=C/c1cccc(OC2CCCC2)c1)C(=O)Nc1ccc(Cl)cc1Cl 727953983 JWQBZMMQXIFYBO-BLRBJFNZSA-N 443.330 5.676 30 20 IKED CC(=O)Nc1cccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 727978604 JHAPUMHZDSXNKI-UHFFFAOYSA-N 430.533 5.213 30 20 IKED C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl 728411781 LELVFKZECSCKKY-XLIONFOSSA-N 432.907 5.046 30 20 IKED COc1ccccc1C/C(C)=C/C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 730183699 WAMHWIHXVUGEOX-XMHGGMMESA-N 426.516 5.582 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2nc3cc(Cl)ccc3s2)cc1 730472556 AEWYAEOVVUVZQQ-HXUWFJFHSA-N 431.948 6.176 30 20 IKED CCSc1ccc(Cl)cc1NC(=O)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1 733634085 WOBCOQUSDWWDAC-MRXNPFEDSA-N 433.961 5.463 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccccc2SCc2csc(C)n2)c1 733770304 FRLSNJBDQPADQR-IBGZPJMESA-N 437.590 5.355 30 20 IKED CC(C)(C)N(N=Cc1nccn1Cc1ccccc1)C(=S)Nc1cccc(Cl)c1 734096410 NPXPNBPPTQXUNE-UHFFFAOYSA-N 425.989 5.416 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N[C@@H](c2ccccc2)C2CCOCC2)cc1 734353350 LKZROFULSVLONF-SANMLTNESA-N 426.516 5.035 30 20 IKED Cc1cc(C=Nn2c(C)nc3sccc3c2=O)cc(C)c1OCc1ccccc1Cl 734746088 VJHREBVABDTHIU-UHFFFAOYSA-N 437.952 5.498 30 20 IKED C=CCSc1ccccc1NC(=O)COC(=O)c1cc(C2CC2)nc2ccc(F)cc12 745594815 WFGIMLYDFNZXET-UHFFFAOYSA-N 436.508 5.325 30 20 IKED COc1ccc(-c2cnc(CNc3ccc(OCc4cccc(C#N)c4)c(F)c3)o2)cc1 745993405 CFRUXDIFIJRSEC-UHFFFAOYSA-N 429.451 5.552 30 20 IKED COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 746763380 IIDXCQPCIUIXLE-DQEYMECFSA-N 425.532 5.590 30 20 IKED C[C@@H](CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)C(=O)c1cccc(F)c1 747105466 APASWLXAXRTRHV-XHDPSFHLSA-N 434.414 5.540 30 20 IKED COC(=O)c1ccc(COc2ccc(/C=C\C(=O)c3c[nH]c4cc(F)ccc34)cc2OC)o1 749454304 XUXSJYPFXAROBR-BAQGIRSFSA-N 449.434 5.170 30 20 IKED C=CCC[C@@H](NC(=O)NCc1cccc(N2CCOC2=O)c1)c1ccc(C(F)(F)F)cc1 749872547 ULYGMRLRHCFURN-HXUWFJFHSA-N 447.457 5.169 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)c1 750628586 CBYQCGGZLKABLC-JOCHJYFZSA-N 434.540 5.208 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)CCCc1cc(Cl)sc1Cl 756232648 DCLBXLUJRQCQRT-ZDUSSCGKSA-N 425.337 5.124 30 20 IKED Cc1ccc(-c2nnc([C@H](C)ON=Cc3c(C)nn(Cc4ccccc4)c3C)o2)cc1C 758411908 BDFNWANAQCAUFP-FQEVSTJZSA-N 429.524 5.327 30 20 IKED Cc1c(NC(=O)c2occc2COc2cccc(C#N)c2)cnc(Cl)c1Br 759280755 CFMDAKYGCWXCSO-UHFFFAOYSA-N 446.688 5.102 30 20 IKED CC(=O)Nc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc(C(F)(F)F)c1 760365759 QQKRIAKIALOZNP-QFIPXVFZSA-N 437.421 5.572 30 20 IKED COc1cc(C(=O)Nc2ccc(F)cc2OCC#N)ccc1OCc1ccccc1Cl 760970715 JPFYVIWNIDYEDE-UHFFFAOYSA-N 440.858 5.221 30 20 IKED N#C[C@H](C(=O)CCCCNC(=O)OCc1ccccc1)c1nc2cc(Cl)ccc2s1 761045949 HSHZUEGLCLLECV-QGZVFWFLSA-N 441.940 5.223 30 20 IKED Cc1sc2ncn(N=Cc3cc(Cl)cc4cccnc34)c(=O)c2c1-c1ccccc1 763135836 ARRWNAFWQUXSIJ-UHFFFAOYSA-N 430.920 5.517 30 20 IKED Fc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)ccc1Br 763157825 WEGGMDOPMMPJGU-UHFFFAOYSA-N 425.714 5.008 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(CCCF)C2=O)c1 767735224 ROMQZEHRVKKWDJ-FTOAKOPCSA-N 447.601 5.114 30 20 IKED Cc1nnc(-c2cccc(C#N)c2)n1CN1CCCC[C@H]1c1cccc(C(F)(F)F)c1 768903471 DRJUWJAKRZSCRB-NRFANRHFSA-N 425.458 5.329 30 20 IKED Cc1ccc([C@@](O)(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C(F)(F)F)o1 773280728 GCSOYAFFOIFZIA-QFIPXVFZSA-N 444.409 5.339 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccnn1Cc1ccc(SC(F)(F)F)cc1 779485713 NKEZIISSQIDCFM-UHFFFAOYSA-N 445.470 5.079 30 20 IKED CCOc1ccc(-n2c(-c3ccccc3)nn(CN3CCC(C)(C#N)CC3)c2=S)cc1 779878214 BERFJSXULCLCOV-UHFFFAOYSA-N 433.581 5.052 30 20 IKED N#CCC1CCN(Cn2nc(-c3ccc(Cl)cc3)n(Cc3ccccc3)c2=S)CC1 781571351 FNHDOKTZIWJFQU-UHFFFAOYSA-N 438.000 5.366 30 20 IKED C=C[C@](C)(CCOC)C(=O)OCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 782440864 QRTDJMOSMWWSBS-JOCHJYFZSA-N 431.941 5.241 30 20 IKED Cn1nc(C(F)(F)F)c(CN[C@H](c2ccccc2OC(F)F)C(F)(F)F)c1Cl 782502067 FPCPTDNZUQTEMQ-SNVBAGLBSA-N 437.718 5.087 30 20 IKED CCC(=O)c1ccc(OCCCCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 783359369 VWUTXZJQJAIWLS-GOSISDBHSA-N 440.952 5.968 30 20 IKED C[C@]1(C#N)CCCN(Cn2nc(Nc3ccc(SC(F)F)cc3)sc2=S)C1 784012144 APBNCHDORJFNBI-QGZVFWFLSA-N 427.571 5.316 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H]2c2ccc(Br)s2)c1 784322748 GLCTUGTZALNOKO-NVXWUHKLSA-N 448.386 5.238 30 20 IKED N#CCOc1ccc(Cl)cc1COC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 787011655 YAEBBDGFAUQDMT-UHFFFAOYSA-N 447.343 5.229 30 20 IKED CCC(CC)n1nc(C)cc1C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 787050510 KZDUZGLDYXYIEJ-SUMWQHHRSA-N 435.355 5.059 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 789457687 VJMYHFLVOKSJHU-LJQANCHMSA-N 429.605 5.649 30 20 IKED Cc1c(Br)cccc1CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 791785475 XQYAZBABERDYSA-KRWDZBQOSA-N 436.334 5.172 30 20 IKED CC(C)(CCC#N)COC(=O)c1ccccc1NC(=O)c1ccccc1Br 798878958 RMNUTRROYIQZNG-UHFFFAOYSA-N 429.314 5.188 30 20 IKED COc1ccc2c(c1OC)O/C(=C/c1cccc(NC(=O)c3ccccc3Cl)c1)C2=O 799501296 YRVFYGDHKCMSHL-DEDYPNTBSA-N 435.863 5.226 30 20 IKED CC1(C)COc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc21 810529592 KDOVFMUKPDUGSQ-IBGZPJMESA-N 426.472 5.110 30 20 IKED CC(=NNc1oc(C(C)C)nc1C#N)c1ccc(Br)cc1Br 814820687 NGFWCQKSVCCCGI-UHFFFAOYSA-N 426.112 5.031 30 20 IKED COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)c2sc3ccc(C#N)cc3c2C)c1 815335331 FWAHUQQSFJMRGN-UHFFFAOYSA-N 437.521 5.689 30 20 IKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1cccs1 837300158 RSOKSAYREHNGBS-HXUWFJFHSA-N 435.574 5.217 30 20 IKED CC(C)c1cc(=O)oc2cc(OCC(=O)Nc3sc4c(c3C#N)CCCCC4)ccc12 854094868 IPCCJGOKIMHXTG-UHFFFAOYSA-N 436.533 5.136 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc2n(C(C)C)c3ccccc3n12 854406827 JGHIRKSTPDTTOY-INIZCTEOSA-N 439.610 5.022 30 20 IKED N#Cc1cc(F)cc(C2(c3nc(-c4ccc(Cn5cnc6ccccc65)cc4)no3)CC2)c1 904479345 IWRIOERCJNLVPS-UHFFFAOYSA-N 435.462 5.225 30 20 IKED O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc(OC(F)F)c1 916129192 ZXPNQNFHRCTFFX-QXMHVHEDSA-N 427.834 6.090 30 20 IKED COc1cccc(NC(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)c2ccccc2)c1 916156753 YTOAMCOJLDSEFJ-XDHOZWIPSA-N 436.851 5.162 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)[C@H](C#N)c1nc2ccccc2s1 916846064 GKEUMROMMLDPCI-AWEZNQCLSA-N 441.343 5.646 30 20 IKED N#C[C@H](C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1 916900221 VXDKRWUVDZPLBK-FYCOFBDGSA-N 426.316 5.085 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C\c1ccc(C)cc1Br 916902075 BPOXLKHYHXQRMC-YAINUAMHSA-N 439.353 5.243 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nc4ccccc4s3)o2)cc1 916912430 AFVWPMYSBDDDIE-SFHVURJKSA-N 443.528 5.860 30 20 IKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(F)c(Cl)c1 916937108 BGWQJDVFIXIGAL-OAHLLOKOSA-N 446.265 5.068 30 20 IKED N#CCSc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 918678742 OJUULOLLLQYFRU-UHFFFAOYSA-N 427.957 5.270 30 20 IKED CCOc1ccc(N(C(=O)c2ccccc2OCC#N)c2nc3ccccc3s2)cc1 919976922 PFNMZHPIHCIXQN-UHFFFAOYSA-N 429.501 5.576 30 20 IKED C[C@@H](c1ccc2ccccc2c1)N(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)C1CC1 920415242 ZXHYRZDZRHPNLG-MHECFPHRSA-N 432.527 5.602 30 20 IKED COc1cc(/C=C\C(=O)c2cccc(OC(F)F)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 921261504 KZRODAMFTXNXSA-WAYWQWQTSA-N 447.312 5.042 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)CC[C@@H]4CNc5ccccc5C4)CCC3)cc2)C1 1785807432 PZBUXRDNTAWCDZ-FQEVSTJZSA-N 443.591 5.151 30 20 IKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3ccc(F)cc3)CCC2)cc1 1788649817 ABULHJALUSYQAD-OUKQBFOZSA-N 448.519 5.074 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4ncoc4c3)CCC2)cc1 1789453961 JAPOHIGDHIHFNI-NRFANRHFSA-N 429.520 5.344 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Cc3ccccn3)CCC2)cc1 1789458256 SGITZLQWJQPVAU-GBXCKJPGSA-N 431.580 5.163 30 20 IKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)CC(F)(F)F)CCC2)cc1 1789508885 UQZGGGAUCMULNX-UHFFFAOYSA-N 438.566 5.124 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790083052 XYVGUMQRLDUREN-UHFFFAOYSA-N 443.881 5.171 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3occc3c2)[C@H]1c1cccnc1 1809341699 NNZNMVAFUJUIEP-ISKFKSNPSA-N 445.563 5.140 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3cc[nH]c23)n[nH]1 1818771668 ZHLUWTPTVKXYAW-FQEVSTJZSA-N 433.556 5.189 30 20 IKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccccc23)CC1)C(F)(F)F 1828010974 FPPLAOPEQOJYFV-JOCHJYFZSA-N 444.497 5.192 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCCCC2)CC1 1828903740 FIVOTKSOBYLLAJ-DEOSSOPVSA-N 444.736 5.238 30 20 IKED Cc1cscc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832630416 HYDOZOIDLBKCFC-UUOWRZLLSA-N 449.620 5.231 30 20 IKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)CC1 1832698255 FDKUWSKQBNNXFY-RUZDIDTESA-N 443.591 5.137 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2ccccc2SC(F)F)n1 10399446 VAFAHBRRSFMEBQ-UHFFFAOYSA-N 433.427 5.326 30 20 IKED O=C(Nc1ccccc1)Nc1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 24507120 SWCVBMFOIRLKAR-UHFFFAOYSA-N 437.421 5.131 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc3[nH]c(C(F)F)nc3c2)cc1 110679020 WSLPUEBZBMIEGL-UHFFFAOYSA-N 434.421 5.354 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 303396837 ZCUQAVOEDSIAGL-LPHOPBHVSA-N 434.521 5.057 30 20 IKED O=C([C@H]1CCC[C@H](C(F)(F)F)C1)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 410100896 MFDBNFQNGRTCPX-KBPBESRZSA-N 425.388 5.861 30 20 IKED C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 428788263 MCRXKRSECISXSD-BBRMVZONSA-N 429.307 5.129 30 20 IKED Cc1c(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)sc2ccc(C#N)cc12 429906775 YFIHUCZGQKKSGF-GOSISDBHSA-N 441.350 5.058 30 20 IKED N#C[C@@H]1CC[C@@H](Sc2nnc(CNc3cccc(C(F)(F)F)c3)n2C2CCCCC2)C1 430096465 GIPMABQXUTXAMN-DNVCBOLYSA-N 449.546 6.199 30 20 IKED C=CCC[C@H](NC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1ccccc1 435610399 JFNPPECHYRCQDC-FKAPRUDGSA-N 432.589 5.965 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)cc1 436348973 BHJIMXNPZITFMG-AFARHQOCSA-N 429.495 5.538 30 20 IKED C[C@H](NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(OC(F)F)cc1OC(F)F 437103116 YQUBNFVAGWZPNY-PSVSLLHZSA-N 433.364 5.024 30 20 IKED COc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 437597433 BOBSOOSMWLCYPX-PKTZIBPZSA-N 427.504 5.791 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC([C@H]4CCCO4)CC3)cc2Cl)cc1 439226311 VUECAUXGNOLVQN-OAQYLSRUSA-N 425.916 5.427 30 20 IKED CCCc1c(NC(=O)c2cc(Cl)c(OCC)c(OC)c2)cnn1-c1cccc(C#N)c1 440091945 MRWPVGUNLZRHES-UHFFFAOYSA-N 438.915 5.009 30 20 IKED C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1 444030647 FWFZFMHQPIANAZ-IBGZPJMESA-N 428.536 5.212 30 20 IKED Cc1cccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 445623354 JCUGFQOCUJNVCG-IBGZPJMESA-N 447.560 5.007 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 446267433 RRCCYPZCLHEQRX-RBBKRZOGSA-N 433.379 5.967 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 446442586 SANMYDNYNWEJDM-RUZDIDTESA-N 446.982 5.326 30 20 IKED CC(C)c1cccc(NC(=O)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 446524796 WBYFKVZPBYOITI-UHFFFAOYSA-N 427.504 5.032 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1 464859366 SSGYUEVRVDDYBT-UHFFFAOYSA-N 425.488 5.147 30 20 IKED CC(C)(C)Cc1nc(-c2cccc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c2)no1 464940913 MMEPQZYDVDNTTJ-VXKWHMMOSA-N 428.536 5.237 30 20 IKED CO[C@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(Cl)cc1 466087731 DRZSQIXOULIYIX-XMMPIXPASA-N 449.938 5.494 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(COc2c(Cl)cccc2Cl)on1 467813299 KFDKVRGXXGQIGG-UHFFFAOYSA-N 444.318 5.483 30 20 IKED COc1cc([C@@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)ccc1OC(F)F 469173538 WSEUBYMSWHSLPX-OAHLLOKOSA-N 429.467 5.053 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@H](c3ccc(Br)s3)C3CC3)ccc21 469256721 PDLFWLCHJSUSMN-NRFANRHFSA-N 444.398 5.657 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@H]3CCCc4c(Br)cccc43)ccc21 469306733 YSAQARYBGRMTCO-NRFANRHFSA-N 438.369 5.522 30 20 IKED CC(C)(NC(=O)Nc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 470525240 FNHSSHQQJXUPQQ-UHFFFAOYSA-N 432.455 5.028 30 20 IKED CCc1ccc(CN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C2CC2)cc1 470532701 QAMKZHBAEQVTTL-UHFFFAOYSA-N 430.552 5.028 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)Nc3cccc(CC(F)(F)F)c3)ccc21 470566697 XORVVBIANYCKAE-UHFFFAOYSA-N 430.430 5.018 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)n1 474442185 UMOKBLQLIZCTOR-HNNXBMFYSA-N 445.470 5.233 30 20 IKED C[C@H](NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc(Br)cn1 474661250 NPJPFVDAVMDEKI-CVEARBPZSA-N 449.352 5.504 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 475554640 YTBAIDVNZDNEDK-GOSISDBHSA-N 436.474 5.119 30 20 IKED C=CCn1c(SCC(=O)Nc2cc(OC)c(C)cc2C)nnc1-c1ccc(Cl)cc1 478570982 FZTCUFNKTBVWJS-UHFFFAOYSA-N 442.972 5.141 30 20 IKED C=CCC[C@@H](C(=O)N1CCC(c2noc(-c3ccccc3OC)n2)CC1)c1ccccc1 481191860 PIJYHYRXSFNBAL-OAQYLSRUSA-N 431.536 5.201 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)cc1 483872870 PIGHQECGTYKLGA-LJQANCHMSA-N 433.499 5.829 30 20 IKED CCC(C)(C)N(CCC#N)C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 484473108 LUJNMZCHQQHOMY-OAQYLSRUSA-N 425.960 5.132 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H]3c3cccc4c3OCCO4)c2)cc1 486529964 FYTNHLFIRBRDCR-HSZRJFAPSA-N 426.472 5.099 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccccc2OCC(C)C)cc1C 500770657 VEUIULFBJQHQPG-UHFFFAOYSA-N 430.552 5.045 30 20 IKED N#C[C@H](NC(=O)c1cccc([C@H]2CCCOC2)c1)c1ccc(OCc2ccccc2)cc1 501131574 YTBBLGKZSIIYHC-AHWVRZQESA-N 426.516 5.154 30 20 IKED Cc1cc(Sc2ccccc2)ccc1NC(=O)N1CCCN(c2ccccc2C#N)CC1 503270586 LCAUXWFQCQOTFN-UHFFFAOYSA-N 442.588 5.762 30 20 IKED CC(C)(C)Oc1cccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)n1 503628573 QJVWYJVJDDBWAN-UHFFFAOYSA-N 444.535 5.226 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc3ccsc23)c1 504864437 QKBVMPSLHZFELT-UHFFFAOYSA-N 443.553 5.756 30 20 IKED COc1ccc(-c2cc(NC(=O)c3cc(C#N)ccc3Cl)ccc2OC(F)F)cc1 505864860 RVUMTXKMBAEAHE-UHFFFAOYSA-N 428.822 5.741 30 20 IKED N#C[C@H](NC(=O)CCSc1ccc2c(c1)OCCCO2)c1ccc(Cl)c(Cl)c1 505953373 HVYNPVIZURXWGF-KRWDZBQOSA-N 437.348 5.018 30 20 IKED N#Cc1cc(NC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)ccc1Oc1ccccc1 506143614 OBJKVLHQURZCRY-UHFFFAOYSA-N 432.386 5.590 30 20 IKED N#CCc1ccc(OC[C@@H](O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 508340557 CVUYAAUVXUAHMU-JOCHJYFZSA-N 441.556 5.342 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1csc(-c2ccc(Cl)cc2)n1 508391655 UVFNCSWNQIGIHH-UHFFFAOYSA-N 446.919 6.083 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1 510549554 XBFQGTMHPSATAD-UHFFFAOYSA-N 443.290 5.511 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 510856723 HSMOEWWZMMMZJX-JOCHJYFZSA-N 429.495 6.037 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)CC1 511015172 OVFWBSWWQLHDDY-SOAGJPPSSA-N 449.448 5.380 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCCSCc3ccccc3F)c2)c1 511481303 ZNZHNKPKJGQQMF-UHFFFAOYSA-N 448.523 5.005 30 20 IKED COc1ccc2[nH]cc(C3CCN(Cc4cn(CCC#N)nc4-c4ccccc4)CC3)c2c1 511926941 NQZDLXHPVFHSRK-UHFFFAOYSA-N 439.563 5.333 30 20 IKED N#C[C@H](C(=O)c1oc2ccccc2c1COc1ccccc1)c1ccc(C(F)(F)F)cn1 513171452 QGMKFQYQKFNDMY-SFHVURJKSA-N 436.389 5.916 30 20 IKED Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c1 513192027 YTIYHKZBLRLUCQ-FQEVSTJZSA-N 446.432 5.752 30 20 IKED Cc1ccc(C(=O)c2ccccc2C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1C 515540067 AYLYYJWMFWWHJR-FQEVSTJZSA-N 443.453 5.769 30 20 IKED Cc1nc(-c2ncccn2)sc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 515709737 VPGLYQRWBDDYTD-UHFFFAOYSA-N 447.907 5.478 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2cnco2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 516074907 JCDGYLVPVLCNIV-MRXNPFEDSA-N 440.311 6.262 30 20 IKED CCn1c(SCC(=O)Nc2ccccc2SCCC#N)nnc1-c1cccc(C)c1 517441429 WOYANSXPSSJQJU-UHFFFAOYSA-N 437.594 5.010 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(Br)cc1F 517777900 NBIKLEHDXHKGJX-QWHCGFSZSA-N 436.350 5.723 30 20 IKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(F)cc1 518252826 HHKVFNNWXZKBOS-QHCPKHFHSA-N 445.494 5.332 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)cc2)nc1 518385843 BRZDMJPHOWKRKU-NRFANRHFSA-N 438.314 6.030 30 20 IKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3S[C@H](C)CC#N)C2)c1 518744415 RECMXQHMHKWFOK-RTBURBONSA-N 436.581 5.272 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCC3(c4ccc(F)cc4)CCOCC3)cc2)cc1 519989288 LRQQTYVNWFNIDM-UHFFFAOYSA-N 445.494 5.360 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(CN2C[C@@H](C)C[C@H](C)C2)cc1 520478742 QGRDTZUGTHEPAQ-VXKWHMMOSA-N 432.612 5.156 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccnc3OCC(F)(F)F)cc2)cc1 521366813 SFEYXPRPFUAZJI-UHFFFAOYSA-N 442.397 5.008 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1C 521447950 JUQRXVGJLSVGOD-FQEVSTJZSA-N 432.568 5.325 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)c1 523942086 SWTJLAACTGPKFG-SFHVURJKSA-N 431.923 5.260 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCC(=O)c1ccc(Cl)cc1 524127731 INHOANMHKRLJGL-UHFFFAOYSA-N 432.907 5.701 30 20 IKED Cc1cc(Br)cc(C)c1CNC(=O)Nc1ccccc1SC[C@@H](C)C#N 524566318 RJLHVQYZXUTMMZ-ZDUSSCGKSA-N 432.387 5.639 30 20 IKED CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CCCCC3)c1 525629263 PDVJQYOOJGGBPS-UHFFFAOYSA-N 444.000 6.169 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)ccc1NC(=O)c1cccs1 533927525 CVSPPFRHLIXDOB-KRWDZBQOSA-N 444.541 5.317 30 20 IKED CCc1nccn1C[C@@H]1CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 537333429 DLYCLHAMVNQPGA-UNMCSNQZSA-N 447.970 5.451 30 20 IKED N#Cc1cc(C(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)ccc1Cl 543481646 SZMWLLXSIGMHKG-UHFFFAOYSA-N 448.885 5.588 30 20 IKED CC(C)C(=O)Nc1cccc(-c2noc(/C=C/c3cn(CCC#N)c4ccccc34)n2)c1 546303193 NWHJIJKHSCPDJF-VAWYXSNFSA-N 425.492 5.370 30 20 IKED C[C@](C#N)(NC(=O)Cc1csc(-c2cccc(Br)c2)n1)C1CCCCC1 550747684 IWMNYHLGYRKQOB-HXUWFJFHSA-N 432.387 5.094 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)NC[C@@H]2CCO[C@@H]2c2ccccc2)cc1Cl 551305885 UUWQNHBPLTZDHH-GBXCKJPGSA-N 432.907 5.512 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCOc2ccc(Br)cc2C1 554907734 GEOKPQYGTCIOPE-AWEZNQCLSA-N 446.370 5.270 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NC[C@H](c3ccccc3)C(F)(F)F)cc2)ccn1 558510639 DYCYCQBXCSBWSZ-HXUWFJFHSA-N 426.398 5.213 30 20 IKED CCc1[nH]c(-c2ccc(Cl)cc2)nc1C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 559990499 FXZSACUFQIOXAD-INIZCTEOSA-N 433.924 5.301 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H]1c1ccc(Cl)cc1 570887701 JKQGCKQXLPVSGZ-VABKMULXSA-N 434.971 5.704 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@@H]3CCc4cccc(Br)c4C3)ccc21 570944466 CAAAFCZAJSUQLW-LJQANCHMSA-N 438.369 5.001 30 20 IKED CN(Cc1ccccc1Br)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 573372113 ZODJSCSZYCBCAR-UHFFFAOYSA-N 437.297 5.172 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C(=O)N[C@@H]2CCOc3ccccc32)C(C)C)n1 602755577 IUTBTIGWZYKCGS-IEBWSBKVSA-N 449.498 5.037 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)c2)c1 603893676 ZYJFNVFMRSUGHV-UHFFFAOYSA-N 434.499 5.453 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@H]3c3cccc(F)c3)s2)cc1 604084749 HPENZKXYAFGHFY-SFHVURJKSA-N 439.541 5.210 30 20 IKED C[C@H](CN(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 609005264 VOLIEWZFHRIVSW-WZONZLPQSA-N 445.950 5.196 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 609078389 NLNAIJGPCWQXMD-IBGZPJMESA-N 439.515 6.417 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NC[C@H](c3cccs3)N3CCCC3)c2)cc1 609208859 NMYHRTMEIKQKPW-JOCHJYFZSA-N 432.549 5.371 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 609438224 GCMRUUKVUZDNRI-MRXNPFEDSA-N 436.512 5.729 30 20 IKED COc1cc2nc(C)sc2cc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 609503822 VJUJOYNGQSGJJR-UHFFFAOYSA-N 429.501 5.724 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1Cl 609515874 ONSWULUIXXHVGR-DEOSSOPVSA-N 445.950 5.080 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 610019263 KEULHLXLVOXLQJ-KCZVDYSFSA-N 436.625 5.598 30 20 IKED CN(Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 610335091 QLRDCBYIUQGEHE-QFIPXVFZSA-N 444.510 5.228 30 20 IKED N#CCn1c(C(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)cc2ccccc21 610626787 MCJJDAJGJJCYAY-UHFFFAOYSA-N 448.935 5.062 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)Nc3ccc4c(cnn4C(F)F)c3)c2)c1 610962642 HLQKBYMOOZDWIO-UHFFFAOYSA-N 446.417 5.199 30 20 IKED COc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)sc2C)cc1 613403554 HCUKLLVVDJMIOI-KRWDZBQOSA-N 437.471 5.967 30 20 IKED C=C(C)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 670213538 WNCDHINJCKYQMR-OAQYLSRUSA-N 427.552 5.165 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 726501508 CDCVNHNNNYMOFC-RUZDIDTESA-N 433.467 5.638 30 20 IKED COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cn(C)c4ccccc34)cc2OC)o1 726740669 OANXQTJSOHCZBJ-DHZHZOJOSA-N 445.471 5.042 30 20 IKED Cc1ccc(Cl)c(NC(=S)Nc2ccc(Oc3ccccc3C#N)cc2)c1Cl 728446919 OQLSFURRWPRFOV-UHFFFAOYSA-N 428.344 6.775 30 20 IKED CSc1ccc2cc(Cn3cc(C#N)c(=O)c4cc(Cl)ccc43)c(Cl)nc2c1 728705523 XQFSQHAIGLLEDK-UHFFFAOYSA-N 426.328 5.498 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2sccc2SC(F)F)c1 730661705 LULLUNCYUYLSSY-CQSZACIVSA-N 438.521 5.172 30 20 IKED N#CCOc1ccc(CN(CC(=O)Nc2ccccc2F)Cc2ccc(Cl)cc2)cc1 731211597 QDXJAMORGZZBOT-UHFFFAOYSA-N 437.902 5.022 30 20 IKED O=C1/C(=C\c2coc(-c3ccccc3)n2)CSC/C1=C/c1coc(-c2ccccc2)n1 731835849 SQKSWFSEZJILTK-YZLQMOBTSA-N 426.497 5.780 30 20 IKED O=C(/C=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(OCC(F)(F)F)cc1 733083433 JFTHEUNUNDWRED-TWGQIWQCSA-N 434.395 5.556 30 20 IKED CC[C@H](C#N)Oc1cc(CNCc2cn(Cc3ccccc3)c3ccccc23)ccc1OC 733329907 FFAIBUYOCZNLKI-XMMPIXPASA-N 439.559 5.669 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(F)cc3Cl)n2)cc1 733682862 QOHBJADFTVUVTH-LRDDRELGSA-N 430.888 5.255 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2oc3ccc(Br)cc3c2C)c1 733775476 WQCWBKWGZKEANG-INIZCTEOSA-N 427.298 5.115 30 20 IKED N#Cc1nnc2ccccc2c1Sc1nnc(Nc2ccc(SC(F)F)cc2)s1 740865026 UDNPJEBISNYNJS-UHFFFAOYSA-N 444.517 5.562 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 742577313 XLKGOFRSTKVVAI-JTSKRJEESA-N 437.540 5.186 30 20 IKED N#C[C@@H](NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1)c1ccc(Cl)c(Cl)c1 742656706 HGSXWEUMSXAIAR-OAHLLOKOSA-N 446.212 5.099 30 20 IKED CCN(CC)C(=O)Nc1ccc(C(C)=NNc2nc3cc(C(F)(F)F)ccc3s2)cc1 743444781 UULHDWFFSSQFSL-UHFFFAOYSA-N 449.502 6.025 30 20 IKED CCC[C@@H](CCc1ccccc1)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 743926500 WHLIUZXXRCWQOL-AHWVRZQESA-N 439.559 5.198 30 20 IKED C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1C(F)(F)F 744030194 AGHLDHOGJFDOGO-SMDDNHRTSA-N 443.252 5.853 30 20 IKED C[C@@H](CC(=O)c1cccc(F)c1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 744034305 GITNYWZTAFKXFR-UGSOOPFHSA-N 426.900 5.688 30 20 IKED C=CCn1c(-c2ccccc2F)nn(CN(C)Cc2ccc(SC)c(OC)c2)c1=S 746715330 KQCMBRMVRWFGFL-UHFFFAOYSA-N 444.601 5.226 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1 748168381 SCPHOHMWPXXQJH-UHFFFAOYSA-N 445.306 5.187 30 20 IKED CC[C@@H](C)Oc1cc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1OC 749444865 YOFCNPKSPMDURS-MRXNPFEDSA-N 447.560 5.502 30 20 IKED COc1cc(/C=C2\CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(F)(F)F 750903507 CGRKJDVSYLQYOA-CZCYGEDCSA-N 433.382 5.374 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H]3C[C@@H](O)c3cccs3)c2)cc1 751000936 XRQIYCRABKVURC-DENIHFKCSA-N 433.533 5.532 30 20 IKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2cnc(-c3cccs3)s2)cc1 751520966 MBOPSWVYMULFMG-UHFFFAOYSA-N 441.607 5.336 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCc3cc(Cl)cc(Cl)c3C2)cc1C#N 752308568 UNERDCUCLDBJPK-UHFFFAOYSA-N 433.295 5.024 30 20 IKED CCOc1ccccc1C(F)(F)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 753078283 KFUZUPWXMSVZMI-GHMZBOCLSA-N 433.339 5.203 30 20 IKED C#CC[C@H](NC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 757064878 PCDGTMWQPWDZPW-QFIPXVFZSA-N 431.363 5.449 30 20 IKED CC(=NNc1nc(-c2ccccc2)cs1)c1ccc(CNC(=O)OC(C)(C)C)nc1C 760249249 MVEMRNBEGGQUPP-UHFFFAOYSA-N 437.569 5.374 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCc3c(sc4ccccc34)C2=O)cs1 763100501 JSCAVCVAPUXLPW-LGMDPLHJSA-N 444.581 6.563 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(OC(F)(F)F)c1 763476514 KFZVKUBWPZZAIK-GOSISDBHSA-N 440.377 5.339 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)c2ccccc21 767926332 OQTSMXFBVUTNNT-UHFFFAOYSA-N 431.883 5.433 30 20 IKED C=CCC[C@H](NC(=O)N1CCC(O)(c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 768402712 GMFFGIKMQJSSJV-NRFANRHFSA-N 432.486 5.406 30 20 IKED N#CCCn1cc(CNc2ccc(OCc3cn4ccccc4n3)cc2)c(-c2ccccc2)n1 770564043 QGDSJMRPRWCBEW-UHFFFAOYSA-N 448.530 5.303 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1cn(C)c2ccccc12 773980325 RIUBXGPDKPPDIP-WIYYLYMNSA-N 437.499 5.422 30 20 IKED N#Cc1ccc([C@H](O)C(=O)Nc2c(Oc3ccc(Cl)cc3)ccc3ncccc23)cc1 781002357 SYFQCOBBOANQPR-QHCPKHFHSA-N 429.863 5.224 30 20 IKED C[C@H](NC(=O)c1ccc(S[C@H]2CCOC2=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 782829193 PKDDMNGCEJXIOY-XDHUDOTRSA-N 442.540 5.124 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(C(F)(F)F)c(F)c1C 785881325 WPOYKTGJFKVJGE-GFCCVEGCSA-N 442.796 5.085 30 20 IKED Cn1c2ccccc2c2cc(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)sc21 787353552 FSHUVQBGHVALPI-UHFFFAOYSA-N 442.544 5.228 30 20 IKED O=C(OCc1ccc(F)cn1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 787729777 VCOXSZRPJFWOMR-DSNUTCFNSA-N 439.371 5.386 30 20 IKED C#CCn1ccc(CN(CC)C(=O)N[C@@H](c2ccc([C@@H](C)CC)cc2)c2cccs2)n1 788852989 CZKUBWPEHOZGRG-CYFREDJKSA-N 434.609 5.412 30 20 IKED N#CCOc1ccc(CNC(=O)N2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 792067128 FZFXMRBNFYEESB-OAQYLSRUSA-N 431.458 5.435 30 20 IKED CCN(CC)C(=O)COc1ccc(C(=O)/C=C\c2csc(-c3ccc(F)cc3)n2)cc1 797128409 DNPYXWVZKXZCDT-KAMYIIQDSA-N 438.524 5.093 30 20 IKED Cc1noc(C2CCC(=NNC(=S)Nc3cc(C(F)(F)F)ccc3Cl)CC2)n1 797400253 UDLNSTOQGSVNMH-UHFFFAOYSA-N 431.871 5.050 30 20 IKED Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 801663263 LMWANNRHJBDDFP-DNRMFDCTSA-N 425.536 5.018 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(-c2cccnc2)nc2ccc(C)cc12 804558733 ILUONFOIIWBDDJ-UHFFFAOYSA-N 439.563 5.601 30 20 IKED N#CCCCn1cc(C(=O)OCC(=O)c2ccc(C(F)(F)F)nc2Cl)c2ccccc21 811197007 AVDYJOPUZMILKH-UHFFFAOYSA-N 449.816 5.052 30 20 IKED COc1ccc(-c2csc3ncnc(NN=C(C)[C@@H]4C[C@H](CC(=O)O)C4(C)C)c23)cc1 814761854 XSPAHXSWEMHDBV-QAPCUYQASA-N 438.553 5.292 30 20 IKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc([C@H](C)CC)cc2)NC1=O 916232750 PVEVFSYMYHQOOD-IIBYNOLFSA-N 439.581 5.237 30 20 IKED CCCOc1c(Cl)cc(/C=C\C(=O)c2ccc(N3CCOCC3)c(F)c2)cc1OC 916545714 VIDKASKFLWGCSJ-DAXSKMNVSA-N 433.907 5.009 30 20 IKED COc1cccc2cc(C(=O)/C=C/c3csc(N(C(C)=O)c4ccc(F)cc4)n3)oc12 917559485 JOKVGEJGEMYGIS-DHZHZOJOSA-N 436.464 5.618 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCCSc3ccc(Cl)cc3)n2)cc1 920141991 JIJHLVXXXZAQFY-LJQANCHMSA-N 442.993 6.221 30 20 IKED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(C)C)cc2)N([C@H](C)c2ccc(C)s2)C1=O 920172798 KSGRPBVMHXCGQQ-BEFAXECRSA-N 429.611 5.009 30 20 IKED C/C=C/c1ccc(OCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(OC)c1 920804529 TZMGPKJDLXIRLZ-UJAVWCLSSA-N 440.471 5.385 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc(Br)cnc3O)cc2Cl)cc1 1142007296 YZAQUADESLQFGB-UHFFFAOYSA-N 444.672 5.119 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3nc4ccccc4[nH]3)cc2)CCC1 1788917886 PFEGEQRIHKJILF-HXUWFJFHSA-N 428.536 5.079 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccn4ccnc34)cc2)CCC1 1789309171 OKUBTZOQXGNIMM-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3ncccc3SCC)CCC2)cc1)C(F)(F)F 1791302423 HFHGTPLTYDEMJE-UHFFFAOYSA-N 449.498 5.060 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3ccccc3OC)cc2)CCC1 1791354251 CFHZUNADGFCVDL-QHCPKHFHSA-N 432.564 5.140 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3c(Cl)cncc3s1)C2 1798591148 HJDLKMXJPWKLIQ-MUJYYYPQSA-N 446.016 5.194 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1cccc(F)c1)C2 1798593195 ZYRWVLGPAZBVDD-KOUNCHBCSA-N 449.570 5.132 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)sc1Cl 1798982435 ICUHYXHZNGWFKE-LXTVHRRPSA-N 427.397 5.075 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cccc(Cl)c3C)CC2)C1 1805452508 YCAGZSRLJVCIOL-UHFFFAOYSA-N 429.004 5.262 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 1805457558 FPOQLAHNSJVMJV-UHFFFAOYSA-N 449.422 5.607 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 1811951498 PWEGQCYLJOUECB-UIOOFZCWSA-N 445.607 5.293 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cccnc3s2)n[nH]1 1818573003 NGKQYEAXEGUGPP-MJGOQNOKSA-N 449.580 5.094 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3nscc23)[nH]n1 1819309312 RQYUJOPJMJJZPM-KKSFZXQISA-N 449.580 5.094 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCC(C(F)(F)F)CC2)CC1 1824828102 YKRMESFNVKJUMD-RLHVNXBHSA-N 442.566 5.187 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncccc2-c2ccccc2)CC1 1827875998 RNBXDUMMLUUQON-OFVILXPXSA-N 445.607 5.194 30 20 IKED CC(C)(C)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828904154 RDIZEIDUQHERJX-QFIPXVFZSA-N 432.725 5.093 30 20 IKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3CCCCC3)CC2)c1Cl 1829688924 OWILOZJSIZAZLZ-JOCHJYFZSA-N 442.003 5.025 30 20 IKED C=CCn1c(SCC(=O)N(C)Cc2ccccc2)nnc1-c1ccc(Cl)cc1Cl 9826124 VMCURLRWUJXQCG-UHFFFAOYSA-N 447.391 5.189 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2cccc(C)c2)c1 10836768 OKBQKBCONJZJCI-UHFFFAOYSA-O 444.407 6.257 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc3ccccc23)nnc1-c1ccc(F)cc1 22100632 FKDQODPJMUMMFU-INIZCTEOSA-N 432.524 5.543 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(CSc3nc(C)cs3)cc2)cc1 29200858 JLQZDKYBSNNFEC-UHFFFAOYSA-N 438.578 5.304 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C)n(C2CCCCC2)c1C 108471596 UYNIVNGFSUWJIG-UHFFFAOYSA-N 428.536 6.230 30 20 IKED C=CCOc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1Cl 237905479 RKDOYECCYLRMBD-UHFFFAOYSA-N 430.939 5.442 30 20 IKED CC[C@H](C#N)Oc1cc(CNc2ccnc3ccc(Br)cc23)ccc1OC 301270226 NLLBTZUEIIQLRY-MRXNPFEDSA-N 426.314 5.299 30 20 IKED Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 301631737 JHXIYUBZOKNSGD-IBGZPJMESA-N 438.919 5.171 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1Cl 302995424 YJLVTLDMDYTVCS-LADGPHEKSA-N 446.934 5.806 30 20 IKED CCN(C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)[C@@H](C)c1ccc(C#N)cc1 303091395 DDJXDYDSMUJQRY-AWEZNQCLSA-N 429.467 5.924 30 20 IKED Cc1nc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)nn1-c1c(Cl)cccc1Cl 303294508 NGAXAJFNTOBJTG-LBPRGKRZSA-N 446.363 5.387 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nccn1-c1cccc(Cl)c1 303326051 VLQBMMAWCRLWGT-HNNXBMFYSA-N 442.997 5.508 30 20 IKED Cc1ccnc(-c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)n1 303667900 CQCLCOPEPVOSHP-UHFFFAOYSA-N 436.540 5.868 30 20 IKED C=CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)cc1OC 428887532 XOLJETSCCRIAQD-SFHVURJKSA-N 431.916 5.114 30 20 IKED Cn1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c2ccccc2c1=O 428904427 ZXTMAUCFQNWZDY-UHFFFAOYSA-N 429.863 5.108 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N(C[C@@H]3CCCO3)C3CCCC3)c2)cc1 429107648 QUZPPXGCLKZGOS-VWLOTQADSA-N 433.552 5.287 30 20 IKED N#Cc1ccsc1N1CC[C@H](Sc2nnc(-c3ccc(F)cc3)c3ccccc23)C1=O 434793227 KIDRWYVCGFOTLY-IBGZPJMESA-N 446.532 5.267 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1F 437460098 LMFJRXKOZASKQJ-UHFFFAOYSA-N 429.476 5.794 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1 437939002 DIVTZXDMETURIQ-HXUWFJFHSA-N 432.593 5.838 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCC2(c3ccccc3)CCOCC2)cc1F 438663313 CZXPOAVDJXFGAP-UHFFFAOYSA-N 445.494 5.360 30 20 IKED Cc1cc(C)c(NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1Br 440224966 KLMFDOOTPIIZNW-AWEZNQCLSA-N 446.370 5.037 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Br)cn3C(C)C)n2)cc1 442867513 YMGNBOWOJOGNME-MRXNPFEDSA-N 444.354 5.454 30 20 IKED C[C@@H](C#N)CN(C(=O)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1)C1CC1 444935264 DBWQRIGJBJPBHD-ZDUSSCGKSA-N 426.929 5.898 30 20 IKED C=CCn1c(SCc2nc3ccc(Br)cc3o2)nnc1-c1ccccc1 460882374 QFDDAVXTUZADAU-UHFFFAOYSA-N 427.327 5.327 30 20 IKED CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)[C@H](C)c2cccc(C#N)c2)c1 463268780 WOPFOTFYSRAYCE-UXHICEINSA-N 425.532 5.410 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 463712756 PGXXJZPPZAGQNJ-BJKOFHAPSA-N 425.536 5.190 30 20 IKED COc1ccc([C@H](NC(=O)N(C)Cc2cccc(C#N)c2)c2ccccc2Cl)c(OC)c1 466386108 AWDURFMPIKUBEN-XMMPIXPASA-N 449.938 5.160 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)ccc21 469950912 SAWYYZKDBAPHJH-ZWKOTPCHSA-N 442.346 5.319 30 20 IKED CN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc(-c2ccccc2)nn1 472022839 SAWPDOLLJANDLB-UHFFFAOYSA-N 440.890 5.738 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)cc12 474450258 WHEJMPFHTBWSEC-KRWDZBQOSA-N 438.553 5.664 30 20 IKED N#CC1(c2ccc(C(=O)N3CCC(COc4ccccc4C(F)(F)F)CC3)cc2)CC1 475842324 VQGCALBJRJNZIQ-UHFFFAOYSA-N 428.454 5.192 30 20 IKED Cc1nn(-c2ccc(C(=O)Nc3ccc(Cl)c(C#N)c3)cc2)c(C)c1Br 478115195 YMQLTZIZKRGZHF-UHFFFAOYSA-N 429.705 5.029 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1nc(C(C)C)cs1 479667749 UWGBJTHIYZIORI-UHFFFAOYSA-N 426.355 5.066 30 20 IKED CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1 481154040 LEHVMHNFVHZLMO-UHFFFAOYSA-N 449.963 5.753 30 20 IKED N#Cc1cc(-c2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)ccn1 481908906 XMVGHBRPSVZXHF-UHFFFAOYSA-N 443.772 5.530 30 20 IKED C=C(C)Cn1c(SCC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)nnc1-c1ccco1 482313107 HXQGKTCRQWAYHT-LJQANCHMSA-N 440.544 5.099 30 20 IKED C=CCn1c(SCCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1ccccc1C 488899462 OMNHEIRLXDEYAL-UHFFFAOYSA-N 430.936 5.353 30 20 IKED Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C 489365235 ROHYQDUSAPTFPY-CEYNDMKZSA-N 447.579 5.027 30 20 IKED Cc1c(NC(=O)c2ccccc2-c2ccccc2C#N)cccc1C(=O)Nc1ccccc1 498434272 HZNQCVLVNKTSIP-UHFFFAOYSA-N 431.495 6.038 30 20 IKED Cc1nc(COc2ccccc2C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cs1 505992244 PYAFEPZVFXEZGY-GOSISDBHSA-N 432.332 5.332 30 20 IKED CCCCN(C)CC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 510858183 WXKIVVPYHLDHLC-UHFFFAOYSA-N 434.584 5.635 30 20 IKED Cc1ccccc1[C@H]1CCCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 511578722 IMYOVOVFYRXMQM-AREMUKBSSA-N 425.532 6.009 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1nc2ccccc2n1C(F)F 513666909 OLBMDTLIZJJYIP-HNNXBMFYSA-N 445.351 5.126 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](CC1CCCCC1)c1ccccc1 517468234 JLXDUJSUQWIRHQ-XXBNENTESA-N 449.620 5.705 30 20 IKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 517473256 LXMYTZXVNIAVCX-KRWDZBQOSA-N 432.593 6.140 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2csc(-c3ccc(C(C)C)cc3)n2)n1 518669435 DRFVMNPRFRAEMU-HNNXBMFYSA-N 425.535 5.057 30 20 IKED COc1ccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(OC)c1 518737644 IAKCBRAPCHABOD-QGZVFWFLSA-N 431.492 5.115 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)cc2)cc1 521141974 MZJRTWKANFWQNO-JOCHJYFZSA-N 435.405 5.558 30 20 IKED COc1ccc2[nH]cc(C3CCN(C(=O)Nc4cc(C#N)ccc4OC(F)F)CC3)c2c1 524435741 JFZYJDXCUSEXCH-UHFFFAOYSA-N 440.450 5.061 30 20 IKED N#CCCn1ccc(NC(=O)c2cccc(CSc3c(Cl)cccc3Cl)c2)n1 525501068 LMICGNOBTAXGND-UHFFFAOYSA-N 431.348 5.648 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cnn(CC(F)(F)F)c2)cc1Cl 532175244 ZEFQJPRURMDCRN-SFHVURJKSA-N 447.848 5.076 30 20 IKED O=C(Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1C(F)(F)F 534746790 JAQALJVRTQPNOW-UHFFFAOYSA-N 447.310 5.240 30 20 IKED Cc1cccc(Oc2cc(CNC3CCN(Cc4ccc(C#N)cc4)CC3)ccn2)c1C 538393949 YBYOJAISNUWBOJ-UHFFFAOYSA-N 426.564 5.117 30 20 IKED Cc1ccc2nc([C@@H]3CCCN(CC(=O)Nc4ccccc4S[C@@H](C)CC#N)C3)[nH]c2c1 539219378 HVNREDNVHAHQGQ-RBUKOAKNSA-N 447.608 5.084 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1 541281759 TYKIDCZVQQFQTE-ZDUSSCGKSA-N 431.439 5.864 30 20 IKED Cc1cc(NC(=O)N2CCC(CC#N)CC2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 541766155 VYPKDRXFZRSEMK-UHFFFAOYSA-N 425.842 5.011 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCC(=O)Nc1sc(C)c(C)c1C#N 544479533 VPRBKUMPJUAZDW-LBPRGKRZSA-N 428.558 5.097 30 20 IKED C[C@H](N[C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)Nc1sc2c(c1C#N)CCCCC2 544484138 SSTSODUBGTXRIK-KBPBESRZSA-N 430.643 5.320 30 20 IKED CN(C(=O)c1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)cc1)C1CCCCC1 551584051 SYSRHTYELLVEAA-UHFFFAOYSA-N 441.579 5.481 30 20 IKED CCn1c2ccccc2c2cc(NC(=O)C(=O)N[C@@H](CCCC#N)c3ccccc3)ccc21 551830887 IZWOLDZZCSQUNX-QHCPKHFHSA-N 438.531 5.304 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CC[C@]4(CCN(Cc5ccccc5)C4)C3)c2)cc1 552684311 HVINRWRTWNIWIC-NDEPHWFRSA-N 437.543 5.089 30 20 IKED C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 558315032 JNSXZTYRDPVORY-IDISGSTGSA-N 439.559 6.337 30 20 IKED Cc1c(C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)sc2ccc(C#N)cc12 559533698 GDLJIZHCIFXNEH-UHFFFAOYSA-N 443.503 5.654 30 20 IKED C=C[C@@H](CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1C(F)(F)F)c1ccccc1 559870514 MJKLEQBNFMSJLM-YWZLYKJASA-N 432.442 5.121 30 20 IKED CN(C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 563574634 SFIFDNRVEFPGEY-XUZZJYLKSA-N 446.482 5.269 30 20 IKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1cc(-c2cccc(C#N)c2)no1 573193416 OFMYBEVCSGFXMJ-UHFFFAOYSA-N 437.459 5.418 30 20 IKED C=CCN(C(=O)c1cccc2cccc(Br)c12)c1nc(C(=O)OCC)cs1 574599050 DNEXYYADQMWXOZ-UHFFFAOYSA-N 445.338 5.068 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NCC3(CCOCc4ccccc4)CC3)cc2)ccn1 576507479 AGAWVNHZYCYPMW-UHFFFAOYSA-N 442.519 5.254 30 20 IKED C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 583506370 ZAEWQBRJNZUPMR-GOSISDBHSA-N 449.505 5.248 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)c3nccs3)cc2)ccn1 584224791 UUWTVRZIJVOIMC-OAQYLSRUSA-N 427.489 5.113 30 20 IKED N#Cc1cccc(C2(C(=O)N[C@H]3CCCc4c3[nH]c3ccc(Br)cc43)CC2)c1 589057501 IPIGAZMXWYSWIY-FQEVSTJZSA-N 434.337 5.027 30 20 IKED N#C[C@@H](C(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1nc2cc(F)ccc2s1 592973525 GZBHVHBUTCBSLR-FQEVSTJZSA-N 442.471 6.251 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)c1nc2cc(F)ccc2s1 592974464 YDRMWTBXMXEFKK-CQSZACIVSA-N 444.459 6.255 30 20 IKED CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)c1 602007172 UKXBHNCRWMEJAN-UHFFFAOYSA-N 431.557 5.052 30 20 IKED N#C[C@@H](C(=O)c1cccc(Nc2ccccc2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 607274887 VYHKBIYQQWOSJV-IBGZPJMESA-N 440.528 5.509 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)c1ccc2ccccc2n1 608552928 ZXDIWKULJGFGGL-MRXNPFEDSA-N 434.282 6.219 30 20 IKED N#CCCSc1ccccc1NC(=O)c1ccc(COc2ccc3ccccc3c2)o1 609378700 BYJXQEGZYPWKGH-UHFFFAOYSA-N 428.513 6.270 30 20 IKED C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)Nc1ccccc1Oc1ccccc1 609387211 SSRHUPLMMZYMMN-MOPGFXCFSA-N 431.561 6.170 30 20 IKED CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccccc1S[C@@H](C)CC#N 609427870 YWTFZHXJNHITKO-YWZLYKJASA-N 429.973 5.127 30 20 IKED COc1ccc(C2(NC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2)cc1 609468918 AMRWTFWCHQVXCU-UHFFFAOYSA-N 427.504 5.151 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccnn3[C@@H]3CCCc4ccccc43)cc2)nc1 609502368 YPGDDFHAUCIKHN-HSZRJFAPSA-N 435.487 5.120 30 20 IKED C[C@H](c1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1)N1CCOCC1 609518578 GOGWQMSPEBKKNP-HXUWFJFHSA-N 441.531 5.190 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 610045501 DLMFNEFJSGAQDF-NDEPHWFRSA-N 431.863 5.054 30 20 IKED N#Cc1cccc(-c2nnc(CSc3nc4ccccc4n3CCc3ccccc3)o2)c1 610217151 WVKRVBVMJMZQNA-UHFFFAOYSA-N 437.528 5.493 30 20 IKED N#Cc1ccc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CCC3)cc1C#N 610231482 DENGKMSOMDQARB-VKAVYKQESA-N 430.467 5.700 30 20 IKED C[C@@H](NC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)c1cccc(C#N)c1 610361891 IZAVJEFXARIZOJ-OAHLLOKOSA-N 448.320 5.064 30 20 IKED CN(C(=O)NCc1ccc(C#N)cc1F)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 610509658 FSXIWMNOEKXFLK-QFIPXVFZSA-N 425.866 5.421 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)c3ccccc3SCc3ccco3)n2)c(Cl)c1 611802824 JBFATCSBKLLNOC-UHFFFAOYSA-N 434.908 5.535 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nc2sccc2c1=O 613439283 VXLWSVOHIAFRHM-ZDUSSCGKSA-N 433.986 5.034 30 20 IKED C=CCn1c(SCC(=O)N[C@H](c2cccs2)C(C)(C)C)nnc1-c1cccc(C)c1 613930227 IEELOXOXKQTMNT-HXUWFJFHSA-N 440.638 5.497 30 20 IKED CCCCc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 615806962 HQURXSVEJZHNBC-UHFFFAOYSA-N 441.531 5.998 30 20 IKED C=CCN(C(=O)[C@H](C)c1c(C)noc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 624066801 IEZZWZGUSURICE-LLVKDONJSA-N 436.364 6.044 30 20 IKED C=CCOc1c(Cl)cc([C@@H]2Nc3ccccc3C(=O)N2Cc2cccnc2)cc1OC 639412302 JEBXYAGWIXCUGJ-HSZRJFAPSA-N 435.911 5.075 30 20 IKED C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 674330553 FKPAIXHYYMFIRF-LSSIXWDNSA-N 426.376 5.221 30 20 IKED O=C(Nc1ccccc1C#Cc1ccccc1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674572503 IUDZWHOPNTXMCH-IRXDYDNUSA-N 426.360 5.291 30 20 IKED N#C[C@H](C(=O)c1cccnc1OCC(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 678325271 WJJYSBUQQZCJDB-LLVKDONJSA-N 445.344 5.141 30 20 IKED O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 681490099 NJAOGNGFCYOPDW-GMTAPVOTSA-N 442.709 5.326 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@H](C#N)c1cnc2ccccc2n1 682995253 RTNUJYZHZLCYML-OAHLLOKOSA-N 438.434 5.571 30 20 IKED O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 683961306 MAAKHKPVZZUMKH-SXMVTHIZSA-N 440.281 5.043 30 20 IKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc(C)s1 726570932 NVFGQWTWGOVWAS-UHFFFAOYSA-O 441.001 5.755 30 20 IKED CCCOc1cc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)ccc1OC 726626321 DGIPSCABUBHYHL-VXLYETTFSA-N 444.965 5.415 30 20 IKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cnc(Cc2ccc(F)cc2)s1 727233620 SZMGQWDRMPDZPT-INIZCTEOSA-N 448.306 5.141 30 20 IKED C[C@H](O)c1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 728122349 FCRJBKLYZUWXID-INIZCTEOSA-N 435.911 5.166 30 20 IKED C#Cc1cccc(N(Cc2ccco2)C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c1 728184952 BJHCIQSYNKASAS-UHFFFAOYSA-N 431.879 5.130 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3sc4c(c3C(=O)NC3CC3)CCC4)c2)cc1 728471535 RNOHEBGNSBJCAA-UHFFFAOYSA-N 443.528 5.045 30 20 IKED Cc1ccc(C)c(NC(=O)[C@H](OC(=O)CSc2ccc(C#N)cc2)c2ccccc2)c1 728675757 RKUSXLBRMDPLHZ-XMMPIXPASA-N 430.529 5.190 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](c1cc(Br)ccc1F)C(F)(F)F 730405818 NHQWRTXYHLWFEL-QLJPJBMISA-N 446.194 5.074 30 20 IKED N#C[C@@H](C(=O)CCCOc1cccc(Br)c1)c1nc2cc(F)ccc2s1 730420385 CVKJOCODISQZDN-HNNXBMFYSA-N 433.302 5.233 30 20 IKED C#CCOc1ccc(NC(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)cc1 730980306 PWSUNZAIEJJXNY-UHFFFAOYSA-N 442.899 5.366 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=S)Nc3ccc(OC(F)(F)F)cc3)cc2)c1 731320094 TUJVIJMRTXPYJZ-UHFFFAOYSA-N 429.423 6.058 30 20 IKED N#Cc1cccc(OCCCCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 732499061 HXBQECRPHVCKKO-KRWDZBQOSA-N 437.471 5.386 30 20 IKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2sc3cc(C(C)C)ccc3c2Cl)n1 732685771 WGUHNMAWCQSZME-CQSZACIVSA-N 432.954 5.476 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)c1 733844818 VTWUEFXOAGNZFK-SIKLNZKXSA-N 448.567 5.012 30 20 IKED Cc1cccc(-c2nnc([C@H](C)OC(=O)c3cccc(COc4ccc(C#N)cc4)c3)o2)c1 734586286 PJWDOYAOZSOPFB-SFHVURJKSA-N 439.471 5.414 30 20 IKED C=CC[C@@H](NC(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21)c1ccncc1 734685396 ZZWQYQSBDZQWDL-QZTJIDSGSA-N 432.387 5.340 30 20 IKED CC(C)(C)c1ccc([C@@H](O)CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 734930966 ZLLASDDGMDGDFT-RPBOFIJWSA-N 427.548 5.495 30 20 IKED CCCC(=O)Nc1cccc(CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1 740031126 AGEWSAUKDCHCRL-UHFFFAOYSA-N 432.549 5.025 30 20 IKED Cc1ccccc1C1(CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CCOCC1 740039467 SKXODJQXESQXKG-UHFFFAOYSA-N 445.588 5.143 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)c1 740786988 SLWWAGNJFBAGOV-KRWDZBQOSA-N 443.931 5.298 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3ccccc3OCc3ccc(Cl)cc3)o2)cc1 741834997 HCNWXBZSJUHEFP-UHFFFAOYSA-N 445.862 5.198 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2c(Cl)nc3sccn23)cs1 741845416 VSZJBJKZKOUMTE-VMPITWQZSA-N 442.953 5.395 30 20 IKED COc1ccc(/C=C(\Cl)c2nc(O)c3c(-c4ccccc4)c(C)sc3n2)cc1C#N 741853417 XWAOOXGEXQGQQN-BOPFTXTBSA-N 433.920 5.990 30 20 IKED C=CCn1c(CCN2CCCCC2)nn(CN2CCC[C@@H]2c2cccc(C)c2C)c1=S 742152094 DDDCMCOJGYBENI-HSZRJFAPSA-N 439.673 5.040 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1CNCc1cc(C#N)ccc1F 742383438 NJHAEFVQZSFHTA-UHFFFAOYSA-N 437.733 5.501 30 20 IKED COc1ccc(Cl)c(NC(=S)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1 742990939 NPAICCRUSBNLBX-UHFFFAOYSA-N 439.943 6.071 30 20 IKED Cc1cccc(C2(O)CCN(C(=O)Nc3cccc(C#Cc4cccs4)c3)CC2)c1C 743084651 PVXYHFRSECDSQI-UHFFFAOYSA-N 430.573 5.280 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 743856241 ZHGULDKTXGBSEI-BVAGGSTKSA-N 427.523 5.332 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(-c2cscn2)c1 744029953 YEOIIHBWWGEPQG-FQEVSTJZSA-N 439.496 5.564 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 744032601 HLBKXRQTBTUQGE-QGZVFWFLSA-N 447.709 5.102 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(CSc3cc(C)ccc3C)c2)cc1 744034067 ZCXITZNQIAOPFF-QHCPKHFHSA-N 444.556 5.566 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)c3ccc(NC(=O)OCC(F)(F)F)cc3)n2)cc1 744351092 JXZUKUHOBOXDPW-UHFFFAOYSA-N 446.410 5.045 30 20 IKED C[C@@H](OC(=O)c1ccccc1-c1ccccc1C#N)C(=O)N1CCC[C@@H]1c1cccs1 744515489 GKKKWMHWCSTNGE-VGOFRKELSA-N 430.529 5.196 30 20 IKED Cc1cc(C(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)c(C)n1-c1ccc(Cl)cc1 744825015 CZHSOAAWPDLZEV-UHFFFAOYSA-N 432.867 5.026 30 20 IKED CC(C)c1oc([C@H]2CCCN2S(=O)(=O)c2cccc(F)c2C#N)nc1-c1ccccc1 751454841 XRSCSMXGBSTYDR-LJQANCHMSA-N 439.512 5.002 30 20 IKED Fc1cc(-c2ccncc2)ccc1C=Nn1c(S)nnc1Cc1cccc2ccccc12 752723723 ZWNZPYLPWPBMHK-UHFFFAOYSA-N 439.519 5.394 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 754218861 XOTCTPYHRMTSJP-UHFFFAOYSA-N 447.491 5.638 30 20 IKED CC(C)(C)OC(=O)N1CCc2cc(NCc3cc(C#N)ccc3Br)ccc21 754886088 UJPYWABZJMHTHO-UHFFFAOYSA-N 428.330 5.230 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)Cc1cccc(OCC#N)c1 760388514 DXANJQKIVOHRCE-CQSZACIVSA-N 425.941 5.094 30 20 IKED O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccncc1)c1cc(Br)ncc1F 762422977 NTVJWLCTHROTKA-SREVYHEPSA-N 449.283 5.127 30 20 IKED CC(C)n1ncc2cc(/C=C/C(=O)c3ccc(N4CCOCC4)cc3Cl)c(Cl)nc21 762437930 HRDNRBBGNOYMHG-ZZXKWVIFSA-N 445.350 5.052 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2cccc(CC[C@H](O)c3ccccc3)c2)c(Cl)c1 762989740 HVVCOACLUVAMBP-NRFANRHFSA-N 425.315 5.784 30 20 IKED O=C(/C=C/c1ccccc1OCc1ccccn1)c1ccc(N2CCOCC2)cc1Cl 768842901 ZUUKSDLAJZPMPW-DHZHZOJOSA-N 434.923 5.047 30 20 IKED N#CCc1ccnc(NC(=O)c2cc(Cl)nc(Oc3ccc(Br)cc3)c2)c1 772169467 OFXXKILUEABENY-UHFFFAOYSA-N 443.688 5.003 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)NC2CCN(c3ccccc3C#N)CC2)c1 772709979 KDUXSFZJLQPJCX-UHFFFAOYSA-N 425.532 5.023 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnc(Cc3ccccc3F)s2)cc1 773980756 VBFFMBMVHQWJTC-IBGZPJMESA-N 435.524 5.177 30 20 IKED C[C@H]1CCCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)[C@H]1CNC(=O)OC(C)(C)C 775336432 QXEXXFZTPYOIFD-AOIWGVFYSA-N 446.617 5.095 30 20 IKED C=CCN(C(=O)c1cccc2nccn12)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 776753994 XFCCQJRMHSTSOO-UHFFFAOYSA-N 429.332 5.597 30 20 IKED CC(C)(C)OC(=O)N1CCc2cc(C(=O)N(CCC#N)C34CC5CC(CC(C5)C3)C4)ccc21 776904947 ASCPVOJYIHXBQB-UHFFFAOYSA-N 449.595 5.309 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H]1CCN(Cc2ccccc2)C1 779019815 IDYBAAGXCHPUNV-IDNYDCHQSA-N 438.575 5.374 30 20 IKED C=CC[C@@H](NC(=O)N[C@@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21)c1ccncc1 779572998 GLDFDHIZVJCDNT-FGZHOGPDSA-N 436.556 5.423 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1 780309553 LFIVGEIKJRJFBM-HSZRJFAPSA-N 435.483 5.180 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(Cl)ncc3Cl)cc2Cl)c1 780588432 WUDJDEAQEPKEIT-UHFFFAOYSA-N 432.694 5.745 30 20 IKED Cc1cscc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccsc1 783060908 GWGWUTCUHGBCRI-SFHVURJKSA-N 441.603 5.279 30 20 IKED Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)c1cc(-c2cccc(C#N)c2)no1 789979932 RFMNUANZKKHRIW-IBGZPJMESA-N 437.931 5.005 30 20 IKED O=C(Nc1ccc(F)c(N2CCOC2=O)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 794107038 CSXIXDPWJKWSAA-UHFFFAOYSA-N 436.283 5.072 30 20 IKED Fc1ccc(I)c(F)c1C=NOc1ccccc1C(F)(F)F 794523278 GTPBWFXMXRYDLB-UHFFFAOYSA-N 427.110 5.001 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/CC(C)(C)c3ccccc3C2=O)cs1 794967607 GLEZPTDSSMYHJV-VBKFSLOCSA-N 436.964 6.429 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C(F)F)nn(C)c3s2)cc1 796628396 BZEXPJCSDIXZCP-XHDPSFHLSA-N 430.480 5.047 30 20 IKED CC(C)(C)OC(=O)NC1[C@H]2CCC[C@H]1CC(C(=O)[C@H](C#N)c1ccc3ccccc3n1)C2 796747246 IEJRXNHJMDSSBX-GOMLDRIQSA-N 433.552 5.131 30 20 IKED O=C(CNc1ccc(OCC(F)(F)F)c(F)c1)Nc1ccc(Cl)cc1C(F)(F)F 799968370 HESHPUDAHADFAB-UHFFFAOYSA-N 444.734 5.490 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 806263123 BRPNIEPCCDHBEZ-NTKDMRAZSA-N 445.588 6.249 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3nc(Br)sc3C3CC3)cn2)c1 806771088 LLKSXWRFXVHNFT-UHFFFAOYSA-N 441.310 5.094 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)cc1 808815122 ASWZHIFPTUCJKM-GOTSBHOMSA-N 441.535 5.752 30 20 IKED COc1cc(CN[C@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)ccc1C#N 810175075 FKBJIYNACNJDJM-FQEVSTJZSA-N 437.540 5.306 30 20 IKED N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1cc(C(F)(F)F)ccn1 813211361 ITQFATIGXCFBDZ-GOSISDBHSA-N 440.381 5.111 30 20 IKED C=CCn1c(S[C@H](C(=O)NC2CCCCCCC2)C(C)C)nnc1-c1ccoc1C 877766621 GYZHYHSBUXWWRH-FQEVSTJZSA-N 430.618 5.378 30 20 IKED Cc1ccc(NC(=O)[C@H](Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2ccccc2)cc1 915224458 NONGHTRZVFILTQ-VSGBNLITSA-N 431.539 6.442 30 20 IKED Cn1c([C@H](C#N)C(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)nc2ccccc21 916843460 IGNWKBIZTWSNHJ-HYBUGGRVSA-N 445.975 5.926 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)s2)cc1 916883709 NPDWSPYJGHZJGV-SFHVURJKSA-N 439.924 5.132 30 20 IKED CC(C)c1noc2ncc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc12 916910360 SRROLGMOMNDESW-IBGZPJMESA-N 440.459 5.100 30 20 IKED CCCOc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916977224 NHPJSXFZKCMHKU-IBGZPJMESA-N 426.925 5.508 30 20 IKED N#C[C@@H](C(=O)c1ccc(N2CCOC2=O)cc1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 917032657 NLZUAOYLMDQUEP-ILGMOKPNSA-N 447.560 5.058 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(OC(F)(F)F)cc2)cs1 917560752 YLMLWRFHNUTMMK-GHXNOFRVSA-N 446.450 5.931 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 918489897 OCVLOJCFRMLJLT-AVRDEDQJSA-N 435.936 5.615 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccco4)cc3)CCC2)c1 1786903262 QYRUBJRMIBLVPF-IBGZPJMESA-N 441.531 5.287 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)on3)CCC2)cc1 1791243750 DPCOLPBSHYOTFW-SFHVURJKSA-N 429.520 5.302 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)c(F)c(Cl)c1)C2 1798591739 FXOSVHBLCVTJKR-MUJYYYPQSA-N 441.374 5.377 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc4[nH]c(C)cc4c3)CC2)C1 1804866734 MFTKHMMITPSIKP-UHFFFAOYSA-N 435.612 5.314 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cc(C)cs2)n[nH]1 1815894532 KVHQPTIVHACKFH-PZJWPPBQSA-N 440.613 5.173 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3cccnc23)CC1 1829066641 OQMPTNLKEYNNRN-XMMPIXPASA-N 447.623 5.461 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cccc(CC)c2)cc1 10174672 NNTXQHQYUPYTLU-UHFFFAOYSA-O 425.524 5.428 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2ccc(C(C)C)cc2)cc1 11263138 PGXWJAARPVEPNP-UHFFFAOYSA-O 445.652 6.636 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2cccc(C)c2)cc1 22693298 PKCIWNAOFPGOJV-UHFFFAOYSA-O 441.576 5.885 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(OCCCC#N)c2)o1 59770557 CHSLLWABYZTOCP-UHFFFAOYSA-N 426.476 5.376 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1cccc(Br)c1 60384034 DUXSKGBIEWIDTJ-UHFFFAOYSA-N 434.334 5.237 30 20 IKED CN(C)C(=O)Sc1ccccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 111196897 XEVRRHTUMYIQEO-UHFFFAOYSA-N 431.517 5.163 30 20 IKED C=CCn1c(SCc2ccc(C(=O)Nc3ccccc3)cc2)nnc1-c1ccccc1F 195568972 RCTAZTYOFINPPB-UHFFFAOYSA-N 444.535 5.815 30 20 IKED Cc1ccc(-c2nc(CC(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cs2)cc1 195659572 UDXMIAHJIPKRGP-NRFANRHFSA-N 425.513 5.162 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)C3(c4ccc(F)cc4)CCCC3)s2)cc1 255949449 LQSXDSZIBHBJIC-UHFFFAOYSA-N 438.553 5.292 30 20 IKED N#Cc1cnc(Sc2nnc(-c3ccc(Cl)cc3Cl)n2-c2ccccc2)cn1 302235199 HSZRKGBHSAMHDQ-UHFFFAOYSA-N 425.304 5.054 30 20 IKED Cc1ccc(Cn2nc(C)c(CCC(=O)Nc3ccccc3SC[C@@H](C)C#N)c2C)cc1 303250893 BZRGRIVICLVCAT-IBGZPJMESA-N 446.620 5.680 30 20 IKED COc1ccccc1-c1nnc(S[C@H](C)c2ccc(C#N)cc2)n1CCc1ccccc1 303681135 JAYKPJBBHTYECJ-LJQANCHMSA-N 440.572 5.921 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCOCC2)cc1 426122049 GLYXCMXFEHSJSZ-UHFFFAOYSA-N 443.522 5.255 30 20 IKED Cc1nc2ccccc2n1Cc1cc(NC(=O)c2cccc(SCC#N)c2)ccc1Cl 430938618 CLSNOJYJLSDAAS-UHFFFAOYSA-N 446.963 5.914 30 20 IKED N#C[C@H](NC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)c1cccc(Cl)c1Cl 433342369 JJSTYKDDVMUJAB-ZDUSSCGKSA-N 441.196 5.057 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)Cc1cn(CCC#N)nc1-c1ccncc1 435128662 IZOCOMHKNOUBNO-IBGZPJMESA-N 442.592 5.484 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 435764145 XNNQZANYALDJCD-LAUBAEHRSA-N 425.319 5.091 30 20 IKED CC(C)CCOC1CCN(c2ccc(C#N)c(N3CCC(OCCC(C)C)CC3)n2)CC1 436308053 BNERAUXITAPEAW-UHFFFAOYSA-N 442.648 5.016 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(OCc3ccncc3)cc2)cc1F 437464128 AJDWTVYAMBWKKV-UHFFFAOYSA-N 439.446 5.716 30 20 IKED COc1ccc2[nH]cc(C3CCN(C(=O)Nc4ccc(C#N)c(C(F)(F)F)c4)CC3)c2c1 438657546 RVZLSZMRYNAITJ-UHFFFAOYSA-N 442.441 5.478 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC2(c3cccc(F)c3)CCOCC2)cc1F 438672204 QBKCJTVBOFHDFL-UHFFFAOYSA-N 449.457 5.456 30 20 IKED CCCc1c(NC(=O)NC2(c3nc(C)cs3)CCCC2)cnn1-c1cccc(C#N)c1 439662434 BTIIBAZTKAEXBM-UHFFFAOYSA-N 434.569 5.052 30 20 IKED C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1 440261665 YTDWUMGSWZJOFV-ZDUSSCGKSA-N 429.929 5.151 30 20 IKED C=CC[C@H]1N(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)CCCC1(C)C 444848666 LOLFPESRSBJVBB-LJQANCHMSA-N 425.495 5.141 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1-c1nc(COCC(F)(F)C(F)F)no1 445754311 YIFUXIFZRWKXIC-UHFFFAOYSA-N 439.287 5.136 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1noc(C2CCCCC2)n1 448233523 FPRPMOQZORYCPU-OAHLLOKOSA-N 430.599 5.383 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1csc(C)n1 460565760 ZVQZKKLRZMIJFS-MGPUTAFESA-N 427.549 5.240 30 20 IKED N#CCCCOc1cccc(CN[C@H](c2cc(F)ccc2F)c2ccccc2Cl)c1 462732818 FJAXURGXNJKVOT-DEOSSOPVSA-N 426.894 6.180 30 20 IKED C=CCOc1c(Br)cc(CN[C@H](C)c2c(F)cccc2OC)cc1OCC 462735684 LQNMUAJZXWLNOY-CQSZACIVSA-N 438.337 5.411 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2Cc3ccc(O)cc3C3(CC3)C2)cc1Cl 463492282 QLICEYOMOARRCI-JOCHJYFZSA-N 443.934 5.780 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)Nc1ncccc1OCCCC#N 466602212 QXKMHCHEQIZWGA-HNNXBMFYSA-N 439.516 5.218 30 20 IKED Cc1ccc(-n2cc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)c(C(C)(C)C)n2)cc1 467407494 NOCOBKZBLZRUOZ-KRWDZBQOSA-N 426.442 5.382 30 20 IKED N#C[C@H]1N(C(=O)c2ccc(-c3ccc(Br)cc3)s2)CCC[C@@]12CCCCO2 468657709 CVSREZKNYHYYIL-CTNGQTDRSA-N 445.382 5.245 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC(=Cc4ccc(F)c(F)c4)CC3)o2)cc1 468849908 FDVRPWLTAHINAS-UHFFFAOYSA-N 434.442 5.328 30 20 IKED Cc1nc(-c2cc([C@@H](C)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)cs2)cs1 468932415 JBJFAVKRQBFGQH-OAHLLOKOSA-N 436.606 5.936 30 20 IKED C=CCC[C@H](NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1 469109338 WJGXVFMBANQALG-FQEVSTJZSA-N 444.362 6.190 30 20 IKED N#CCCCn1cc(C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)c2ccccc21 469417172 ZQNJJAHQSQQXHB-YTTGMZPUSA-N 447.604 5.779 30 20 IKED C[C@H](CCC#N)Sc1nnc(CNc2cccc(C(F)(F)F)c2)n1C1CCCCC1 470461006 VQUXBCDCUNJJQK-OAHLLOKOSA-N 437.535 6.199 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc(COc2ccccc2)c1C 471443772 OUTOBOIAGLTPQQ-UHFFFAOYSA-N 430.504 5.252 30 20 IKED N#C[C@H](C(=O)c1ncoc1-c1ccc(F)cc1)c1nc(-c2c(F)cccc2F)cs1 473529362 WPOCLCONJKLHMM-CYBMUJFWSA-N 425.391 5.372 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)n1 474428329 AFHKSVQJASKKDZ-HNNXBMFYSA-N 437.525 5.205 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2cc(Br)sc2Br)n1 474434534 RGBLGPOMPLVKHG-QMMMGPOBSA-N 434.178 5.343 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](c1cccc(C)c1)c1ccccn1 475167816 QRNDSKAPPNYUCP-VWLOTQADSA-N 427.548 5.086 30 20 IKED CCOc1cc(Br)ccc1NC(=O)c1ccc(COc2ccccc2C#N)o1 478436361 XANJZGPAJRWQPB-UHFFFAOYSA-N 441.281 5.144 30 20 IKED CN(C)c1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c2ccccc2n1 478557543 ZIGWLVCISWHNFV-OAHLLOKOSA-N 434.471 5.193 30 20 IKED N#Cc1cc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2cccc3ccccc23)ccc1Cl 478843451 YOIHFCDRRHOXGQ-DEOSSOPVSA-N 439.902 5.209 30 20 IKED C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)CSc1ccc(C#N)cc1 482819559 SAQDUTKUOCNLHF-HZPDHXFCSA-N 441.984 5.346 30 20 IKED CC(C)(C#N)c1ccc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2Cl)cc1 483165857 DDIICBDXRWGZPV-UHFFFAOYSA-N 433.943 5.378 30 20 IKED Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 483580029 BLZGFXYOLZVSJK-UHFFFAOYSA-N 443.572 5.460 30 20 IKED Cc1ccc(-c2cccnc2)cc1NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 484952999 CFKGXMRPXBTBFX-QGZVFWFLSA-N 430.533 5.029 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nc(C(F)(F)F)cs1 488340670 ACMQMVCPWRFRPC-GFCCVEGCSA-N 432.427 5.709 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 489122372 NGZMSMPOSOOWRR-UHFFFAOYSA-N 437.421 5.015 30 20 IKED COc1ccc([C@@H](NC(=O)c2ncc(C#N)cc2Cl)c2ccc(C(F)(F)F)cc2)cc1 492102585 ZWZDZKCGAIJJLC-IBGZPJMESA-N 445.828 5.153 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1 497945501 ZTVNXRVJCBZKJK-QGZVFWFLSA-N 446.513 5.640 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cc(Cl)ccc1Sc1ccccc1 499115026 CGSKOGPMQQIMND-UHFFFAOYSA-N 437.952 5.652 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)c1 502647499 LXERUWCQFWHACT-UHFFFAOYSA-N 442.544 6.214 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 503499198 RHCKCFHBJYCECT-CQSZACIVSA-N 438.380 5.414 30 20 IKED Cc1cc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c2ccc(Br)cc2n1 503982196 YHPNLGHMLUBYEH-UHFFFAOYSA-N 432.321 5.107 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 504923159 FHRONCZZBZBGME-WMZOPIPTSA-N 437.849 5.585 30 20 IKED CC(C)(NC(=O)Nc1ccc(OCC(F)(F)F)c(F)c1)c1nc(C(F)(F)F)cs1 504960475 YNWQQBDGNMOFRY-UHFFFAOYSA-N 445.360 5.299 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c[nH]cc2-c2ccc(Cl)s2)cc1 505670733 FKRADRHTPKOJTB-UHFFFAOYSA-N 449.919 6.321 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2c[nH]c3ncccc23)cc1Cl 506048662 BLFQCPMDELHGHH-NRFANRHFSA-N 429.911 5.236 30 20 IKED CCOc1ccc(C2=CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)CC2)cc1 507640149 ZVZVAXATDFLGQK-UHFFFAOYSA-N 444.560 5.325 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1c(Cl)cccc1Br 509073878 FGDUBNLUPVFGAH-NSHDSACASA-N 445.791 5.298 30 20 IKED N#Cc1ccc(C(=O)O)nc1/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 509693121 XDERMRPHOVEECC-XBXARRHUSA-N 438.270 5.381 30 20 IKED CN(Cc1nc(C(F)(F)F)cs1)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 511551066 CMVMXHGDKGYUGO-LLVKDONJSA-N 429.361 5.136 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)[C@H](C)CC)nnc1-c1ccc(Cl)cc1Cl 512135295 HXYMDLWUAIKBSO-CHWSQXEVSA-N 427.401 5.081 30 20 IKED CCN(C(=O)c1cccc(COc2ccccc2C#N)c1)[C@H](C)Cc1ccc(OC)cc1 513274665 WDWPYAKYXAVBIB-HXUWFJFHSA-N 428.532 5.239 30 20 IKED COc1ccc2c(c1)CN(C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)CC2 513542741 IQYXYMVGSLTVRC-QHCPKHFHSA-N 431.923 5.594 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 513572028 HHJGYPQROLBLBH-XMMPIXPASA-N 441.600 5.245 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3cccc(NC(=O)c4ccccn4)c3)c2)c1 513626616 AAUQXWUUDYHHMC-UHFFFAOYSA-N 448.526 5.074 30 20 IKED C=CCn1c(SCc2cccc(NC(C)=O)c2)nc2scc(-c3ccccc3)c2c1=O 513955359 AVUJZBPZBHLORC-UHFFFAOYSA-N 447.585 5.562 30 20 IKED Cc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)nn1C(C)(C)C 515426730 SOHHHLILFIIZLK-UHFFFAOYSA-N 447.486 5.137 30 20 IKED COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1 515560102 XDINWYAEXNEPCQ-OSPHWJPCSA-N 428.492 5.369 30 20 IKED C=CCN(Cc1ccccc1)C(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1 519308036 OSRSDEMRNZKYTL-UHFFFAOYSA-N 439.353 5.560 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1 519436438 OWYUMYCWTBLFEB-LSDHHAIUSA-N 449.498 5.115 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1(c2cccc(Br)c2)CCC1 521810953 LZGQKIMGINRURB-HNNXBMFYSA-N 444.398 6.044 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(NC(=O)CSc4cccs4)cc3)[nH]c12 522829457 FDGORCIFYOHMBX-KRWDZBQOSA-N 446.557 5.154 30 20 IKED C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1cccc(OCc2ccccn2)c1 524436695 GGOPTHOXFJHUML-OAHLLOKOSA-N 438.434 5.016 30 20 IKED N#Cc1cccc(COc2cccc(CN[C@@H](c3cccc(Cl)c3)c3ccccn3)c2)c1 532374053 UJIBCCDGTFPSPA-MHZLTWQESA-N 439.946 6.065 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@@H](C)c1ccccc1Br 532780250 GSODWRKGMDHRJN-HOTGVXAUSA-N 446.414 5.475 30 20 IKED CN1C(=O)CCc2cc(NC(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)ccc21 534867914 GSIJKPMLNGEWBV-UHFFFAOYSA-N 431.879 5.165 30 20 IKED C=CCn1c(SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)nnc1-c1ccccc1F 535510157 HJLJCZCCQGFAIU-UHFFFAOYSA-N 437.456 5.126 30 20 IKED C=CCN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1 535980895 UEGKQSBTXLZXAM-UHFFFAOYSA-N 446.403 6.323 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 539126951 IPCBIXPQXWBCHZ-INIZCTEOSA-N 447.526 6.369 30 20 IKED Cc1cc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)c2cnn(Cc3cccs3)c2n1 539174755 LSZQGUZUDNTCHM-UHFFFAOYSA-N 435.578 5.333 30 20 IKED N#Cc1cccc(-c2nnc(CN[C@@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)o2)c1 539421582 OWHWGHMSCVAOMP-INIZCTEOSA-N 426.320 5.020 30 20 IKED C=CCC[C@@H](NC(=O)c1cccc(-c2nnc(COC)o2)c1)c1ccc(C(F)(F)F)cc1 539561394 KPOAUGOVPFESGJ-LJQANCHMSA-N 445.441 5.339 30 20 IKED C[C@H](NCc1ccc(-c2ccccc2C#N)cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 540316232 QWMFQDGEIJWBPA-FQEVSTJZSA-N 444.600 5.792 30 20 IKED Cc1nc(NC(=O)c2ccc(C3(C#N)CC3)cc2)sc1-c1nc2ccccc2n1C(F)F 540820052 ORAKCZWSZPUCTF-UHFFFAOYSA-N 449.486 5.671 30 20 IKED C[C@@H](CN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1nccs1 541447186 QYSFYKJTRHVERZ-HNNXBMFYSA-N 440.956 5.515 30 20 IKED CCCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cnn1C1CCCC1 542286300 FFFWUOCLEGVGNG-LJQANCHMSA-N 434.565 5.573 30 20 IKED N#CCC[C@@H](NC(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1ccccc1 543180246 NHQADDDCLAYQSR-JOCHJYFZSA-N 445.394 5.302 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@H]3c3ccc(Cl)cc3)n2)c(Cl)c1 543891965 LWFALBLBIDZBBZ-SFHVURJKSA-N 426.307 5.420 30 20 IKED Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 544249169 YQQAYSJNIZGLBD-UHFFFAOYSA-N 427.552 5.546 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCOc3ccc(F)cc32)cc1 547753227 TVWBOBXQHOAUJM-QHCPKHFHSA-N 431.467 5.116 30 20 IKED C=CCN(C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)c1nc2c(s1)CCCC2 550660930 BWOCIQSZRWUBKD-UHFFFAOYSA-N 446.016 5.170 30 20 IKED CCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)Cc1ccccc1Br 553026315 JYZBGDJHAKTVGF-MRXNPFEDSA-N 446.414 5.161 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3ccc(O)c(-c4nc5ccccc5s4)c3)on2)c1 562494079 OCPGVWRHBBPNHA-UHFFFAOYSA-N 438.468 5.448 30 20 IKED COc1cccc(CCC(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1F 563965685 DCWCJVVUZAXODO-OAHLLOKOSA-N 437.355 5.596 30 20 IKED C[C@H](CC(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c1cccc(C(F)(F)F)c1 568328471 WPTXNDYJXRSTJA-CQSZACIVSA-N 428.376 5.662 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](C)[C@@H]1c1cccc(F)c1 575369641 YRBPZSIPQJWDAR-LDLZHSJESA-N 432.543 5.436 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 576090041 HVLFVFSXFHABEO-UHFFFAOYSA-N 425.941 5.007 30 20 IKED C=C(C)Cn1c(-c2sccc2C)nnc1N1CCC2(CC1)OCCc1ccsc12 579256332 KMEXJMWAGFJWLK-UHFFFAOYSA-N 426.611 5.021 30 20 IKED CCO[C@@H](c1noc([C@@H](C)Oc2ccc(C#N)cc2)n1)c1ccc(F)cc1C(F)(F)F 589155415 VVUPBFJICNTNJE-KZULUSFZSA-N 435.377 5.365 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)c3sc4ccccc4c3Br)n2)cc1 589740669 LUXRZUBWOVXHNA-UHFFFAOYSA-N 440.347 5.911 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)c(C)c2c1 603464318 DUAXLCILCCOEFA-LJQANCHMSA-N 439.309 5.020 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)c(C)c2c1 603469166 ARSMNBIAADFTIY-GOSISDBHSA-N 429.303 5.564 30 20 IKED N#Cc1c(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)sc2c1CCCC2 603564077 GDMXTRSDQDSSHR-KRWDZBQOSA-N 448.375 5.049 30 20 IKED CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603689983 VWPPBMHYBPTLJT-UHFFFAOYSA-N 442.397 5.308 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1cc(C#N)ccc1OC(C)C 604342923 UWYUNKQMSDKZEH-UHFFFAOYSA-N 445.466 6.049 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)Cc3coc(-c4cccs4)n3)c2)cc1 609261984 DGYUKCNAQUDPAH-UHFFFAOYSA-N 429.501 5.229 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(F)cc2cccnc12 609388713 FIGHVXUEIUUJGB-HNNXBMFYSA-N 425.554 5.640 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)cc2)c1 609434270 NGBWKNOAJDEAQO-UHFFFAOYSA-N 434.499 6.153 30 20 IKED COCCSc1ccc([C@@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 609437026 LOFHACCPRHGRKL-IAGOWNOFSA-N 429.611 5.702 30 20 IKED Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 609438634 MSVSFHSBDBMASF-ROUUACIJSA-N 443.016 5.691 30 20 IKED CC(C)c1noc(-c2ccc(NC(=O)NC3CCC(Oc4ccccc4C#N)CC3)cc2)n1 609554453 NUYJBKZKDQFEPC-UHFFFAOYSA-N 445.523 5.243 30 20 IKED CCCNC(=O)c1cccc(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 609727631 PUMPNPJZBXCRQH-UHFFFAOYSA-N 447.922 5.074 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)NC[C@@H]3CCCN(Cc4cccs4)C3)c2)cc1 609987828 HLVDHJFTJADVTC-FQEVSTJZSA-N 430.577 5.005 30 20 IKED COc1ccc(COCCC(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)cc1 610231079 PRIAFYRHLGPKFA-UHFFFAOYSA-N 434.923 5.360 30 20 IKED COc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2ccccc12 613405069 UQBOIEYOWPUHRK-INIZCTEOSA-N 426.419 5.967 30 20 IKED Cc1ccc([C@H](NCc2ccc(C(C)(C)C#N)cc2)c2cccc(S(C)(=O)=O)c2)cc1 614058678 MYRBXGMWWUMWNZ-VWLOTQADSA-N 432.589 5.079 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccc(F)cc3)C3CCOCC3)cn2)cc1 617269233 YMHVLCDELRXSKK-UHFFFAOYSA-N 446.482 5.098 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)cc1 626587983 JEDMLLNOSGASNP-UHFFFAOYSA-N 427.504 5.263 30 20 IKED C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 670198897 XJZMLKSDHBYFJF-HXUWFJFHSA-N 443.551 5.267 30 20 IKED O=C(Nc1ccccc1SCC(F)(F)F)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674555040 XNWFPPYRQZYTSS-RKDXNWHRSA-N 440.331 5.546 30 20 IKED C=CCn1c(SCC(=O)Nc2cccc(C)c2O)nnc1-c1ccc(Cl)cc1Cl 677598914 ZRIYECYKWJARLS-UHFFFAOYSA-N 449.363 5.183 30 20 IKED CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 678371819 KKGFFGVBXMQPAW-GIRXQMHSSA-N 444.391 5.110 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)o2)cc1 727990064 ZMBQCPDVAFIKQG-VWLOTQADSA-N 433.467 5.638 30 20 IKED N#CCCn1cc(C(=O)COC(=O)c2ccc(-c3ccc(F)cc3)cc2F)c2ccccc21 730057173 MERBDILWOWIGRX-UHFFFAOYSA-N 444.437 5.540 30 20 IKED N#CCOc1cccc(/C=C(/Cl)c2nc3cc(-c4ccc(F)cc4)sc3c(=O)[nH]2)c1 730151782 QXENHJUXJHIZHI-GZTJUZNOSA-N 437.883 5.430 30 20 IKED N#C[C@@H](COC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)Cc1ccc(F)cc1 730695134 RPOIWQVBIPIVAJ-AWEZNQCLSA-N 436.430 5.312 30 20 IKED C[C@@H]1CCc2sc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)cc2C1 731061066 OZAPHMNOMXWPED-HUUCEWRRSA-N 428.579 5.063 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc(F)cc2)o1 731063882 NPZDUZWPFAVSHC-HNNXBMFYSA-N 438.480 5.275 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)ccc1F 731195721 MXNYOYWSDGZUIY-MRXNPFEDSA-N 438.286 5.474 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(c2ccccc2)C(=S)N[C@@H]1c1cscn1 731421142 OBEZSOABQUBIPD-LJQANCHMSA-N 425.966 5.233 30 20 IKED Cc1cc(C)c(NC(=O)COC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(C)c1 732377788 VIKPKZIBOAZBPB-UHFFFAOYSA-N 428.488 5.266 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)/C(=C/c3ccco3)NC(=O)c3ccccc3)c2)cc1 732957454 GLZMHIMYQIHAKD-UQQQWYQISA-N 449.466 5.353 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)c1 733806580 KOTBAVKPESYMNF-DHLKQENFSA-N 447.510 5.104 30 20 IKED N#Cc1cccnc1Oc1ccccc1NC(=S)Nc1ccc(OC(F)F)c(Cl)c1 735625165 LZKSXAYPEUFDDM-UHFFFAOYSA-N 446.866 5.809 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CC(c2c(F)cccc2F)=NO1 736006375 MDCBLBCCFDXQJB-JOCHJYFZSA-N 433.414 5.069 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)CCO1 736491009 FVBWRSXQDFGVGQ-SFHVURJKSA-N 429.545 5.187 30 20 IKED C=CCSc1ccccc1NC(=O)COC(=O)c1cccc(Oc2nccs2)c1 736918171 MHEZIIVIHYLWMJ-UHFFFAOYSA-N 426.519 5.009 30 20 IKED C=CCN(Cc1cccc(C#N)c1)Cn1nc(-c2ccc(OC)cc2)n(CC(C)C)c1=S 745162840 ZVNUYYFTJSLYIP-UHFFFAOYSA-N 447.608 5.263 30 20 IKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(=O)oc2ccccc12 750266541 FTBIHCXQTKCRNO-HXUWFJFHSA-N 428.875 5.663 30 20 IKED N#C[C@H](C(=O)[C@H]1OCCc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 750316185 QWLSEGDJSVVWBZ-UZLBHIALSA-N 429.328 5.607 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cc(F)cc(F)c2O)cs1 757476828 UBZSQZGCMIRSCE-DAXSKMNVSA-N 434.851 5.361 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1 758780713 SWZWBECZHBTWHX-NQIIRXRSSA-N 448.567 5.067 30 20 IKED Cc1csc(Sc2ccc(NC(=O)Cc3cccc(OCC#N)c3)cc2Cl)n1 760443816 URDYQXIMCIHJJO-UHFFFAOYSA-N 429.954 5.340 30 20 IKED Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)c2c1 763762437 BPYAZLQDRBZGFR-UHFFFAOYSA-N 444.498 5.223 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CNC2(c3ccccc3)CCOCC2)c1=S 764121422 NQSZNNIJSLIADG-UHFFFAOYSA-N 441.000 5.173 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cnc(Cl)c3ccccc23)cc1 766428143 FERUFZZVGGLIQH-UHFFFAOYSA-N 427.891 5.786 30 20 IKED Cc1nc2c(s1)[C@H](Nc1ccc(C#N)c(N[C@@H]3CCCc4nc(C)sc43)n1)CCC2 767309931 FERULJVXGARJKO-QZTJIDSGSA-N 436.610 5.462 30 20 IKED C[C@H]1CCCN(c2ccc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)cc2[N+](=O)[O-])C1 770123244 BBGZOSLLNVXSPT-BBRMVZONSA-N 438.484 5.070 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(N2C(=O)CN(Cc3ccc(F)cc3)C2=O)cc1Cl 771818723 OCEWKJCTTXUGEA-OAQYLSRUSA-N 433.870 5.103 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(Sc2ccccc2C)cc1 772972738 VZROVTYRZRYPGC-HXUWFJFHSA-N 430.529 5.506 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 780160153 OWYQQRUFCPFMTE-ZDUSSCGKSA-N 428.275 5.724 30 20 IKED C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)[C@H](C#N)c1nc2ccccc2s1 780301199 HISOKLZHPJOHPN-MDNKFWRPSA-N 443.572 5.257 30 20 IKED Cc1cc(C(=O)Nc2ccccc2O[C@@H](C)C#N)c(C)n1-c1ccc(Br)cc1 780752720 RVRGJSBBFLBVTN-HNNXBMFYSA-N 438.325 5.400 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc3ccccc3c2)cc1Cl 782808310 KQXBZSSTYQBDPY-QHCPKHFHSA-N 439.902 5.726 30 20 IKED CC(C)(C)OC(=O)NCc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1 786779454 TYYHEBHHOFZAKV-UHFFFAOYSA-N 444.491 5.023 30 20 IKED CC[C@@H](NC(=O)[C@H](C#N)C(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccccc1 787046074 MTCQIKSLIGHJBZ-IAGOWNOFSA-N 429.501 5.146 30 20 IKED C/C(=C\C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(C(F)(F)F)cc1 787352533 NAYBNUIQJCDREI-JQIJEIRASA-N 441.453 5.330 30 20 IKED N#CCCn1cc(/C=C/C(=O)c2ccc(SC3CCCC3)cc2)c(-c2ccncc2)n1 788352798 TWUQGNZRYSNUJJ-DHZHZOJOSA-N 428.561 5.790 30 20 IKED Fc1cccc(-c2ccc(C=Nn3c(S)nnc3CSc3ccccc3)o2)c1F 790173244 GAODLZOCGVHYRT-UHFFFAOYSA-N 428.489 5.280 30 20 IKED C=C(C)CCc1noc(CCn2nc(-c3ccc(Cl)cc3)n(CCCC)c2=S)n1 795764521 PXWPDPJEYTVHAA-UHFFFAOYSA-N 431.993 5.669 30 20 IKED N#C[C@H](C(=O)/C=C/Sc1cc(F)ccc1F)C(=O)Nc1ccc(SC(F)F)cc1 797943007 MNAHTHYHZIENBW-HSBSLETESA-N 440.443 5.233 30 20 IKED N#C[C@@H](C(=O)CCN1c2ccccc2Sc2ccccc21)c1cc(C(F)(F)F)ccn1 813217962 KXDJKNZCDCQSAY-MRXNPFEDSA-N 439.462 5.970 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 915086369 UUCDHHXKXTXZFN-VWLOTQADSA-N 443.506 5.449 30 20 IKED N#C[C@@H](C(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1nc(-c2ccccc2)cs1 915102381 ROKRFDPQEQGOBA-KRWDZBQOSA-N 434.908 5.323 30 20 IKED N#C[C@@H](C(=O)CCc1nc(-c2ccco2)no1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915103379 UOIMWYDCPJHORN-IEEVTGIFSA-N 448.548 5.063 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2ccccc2)cc1 915353040 PXSWMCFXTFSZEJ-NSOVKSMOSA-N 447.538 6.262 30 20 IKED CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=S)Nc1ccccc1C#N 915996940 DAQJFRQZLJIMLK-UHFFFAOYSA-N 429.574 5.301 30 20 IKED O=C(/C=C/c1cc2ccccc2nc1N1CCOCC1)c1ccc(N2CCCCC2)c(F)c1 916129160 XSENLVFLFXMSOG-PKNBQFBNSA-N 445.538 5.097 30 20 IKED CCOc1cc(/C=C\C(=O)c2cc(F)ccc2F)ccc1OCC(=O)N(C(C)C)C(C)C 916134505 LKUSCTFSDYOFCI-XFFZJAGNSA-N 445.506 5.284 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(Cl)cc1 916885115 NDCPEEKYWZNPJY-JOCHJYFZSA-N 430.891 5.317 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 916905945 OMSVUXAQPMEBGG-FQEVSTJZSA-N 444.874 5.626 30 20 IKED Cc1ccccc1OCCCC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916908698 NMZFPAZZADGGNH-OAQYLSRUSA-N 428.488 5.294 30 20 IKED CCCCOc1c(Cl)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)cc1OCC 916910454 RLLRFAHHYVLMQQ-OAHLLOKOSA-N 449.334 5.532 30 20 IKED N#C[C@H](C(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)Nc1cccc2ccccc12 916916596 XGSUJUYXBSBEGF-OAQYLSRUSA-N 426.447 5.519 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C 916925796 TVEACIWEXGAKIM-GCJKJVERSA-N 429.520 5.074 30 20 IKED N#C[C@H](C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1nc2ccccc2n1C(F)F 917040274 JQITVBSNCJGCAY-ARFHVFGLSA-N 448.498 5.967 30 20 IKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccccc2Cl)s1 920170714 NWPVMDSXEJGABJ-SCLBCKFNSA-N 448.013 5.071 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Oc2cccnc2)cc1 920791965 IXZKYPFMIBSILM-QGZVFWFLSA-N 426.259 5.142 30 20 IKED N#C[C@@H](C(=O)COc1ccc(Cl)c(Cl)c1)c1nc(-c2c(F)cccc2F)cs1 920805640 DXTOYDHTIQEFRT-NSHDSACASA-N 439.270 5.650 30 20 IKED Cc1[nH]ccc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1788809159 ZZOXETHBCCHNTR-QGZVFWFLSA-N 426.520 5.012 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cccc4nc(C)sc34)cc2)CCC1 1788945116 WINVACDLSPDBPF-UHFFFAOYSA-N 431.561 5.156 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccoc3C(F)(F)F)CCC2)cc1 1789454415 YGOATINVCYAHPV-GOSISDBHSA-N 446.469 5.815 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Nc3ccccn3)cc2)CCC1 1789659718 YJHSXKJKPVOUDH-LJQANCHMSA-N 434.584 5.009 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)c3ccc(C)cc3)cc2)CCC1 1791346932 NCCVJDZTOQXNLX-WOJBJXKFSA-N 435.568 5.034 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)CCNc3ccc(C)cc3C)CCC2)cc1 1791583551 KKWGOLJIDYGDSD-UHFFFAOYSA-N 431.580 5.043 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3occ(Cl)c3c2)n[nH]1 1820232039 HOFKYLZAUMFWTH-LIRRHRJNSA-N 440.931 5.327 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2)n[nH]1 1822327655 PXVJCAKVEFZAGO-JAXLGGSGSA-N 434.584 5.198 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C)c(F)c2F)n[nH]1 1823194886 WBFNMAUZSWIADF-QFBILLFUSA-N 442.510 5.071 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2F)CC1 1823899645 KFFIWMDRJCHZPH-OFNKIYASSA-N 446.994 5.481 30 20 IKED CCC[C@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](C)ON=C(C)C)CC2)CC1 1830419141 KOPCHMFQGSVLIX-LUGTWXOSSA-N 447.664 5.014 30 20 IKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 1831859882 LMDRQDISQXNDEM-QHCPKHFHSA-N 443.031 5.348 30 20 IKED COc1ccc(-c2nnc(SC[C@@H](C#N)CCC#N)n2C2CCCCC2)cc1OC 7193697 WRIYPAQNIJFGON-MRXNPFEDSA-N 425.558 5.003 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)Nc1ccc(Cl)cc1 10832735 LABLJPPRDNXFGW-UHFFFAOYSA-O 438.016 6.364 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(Cl)cc2)cc1 10832972 AIZXVSHCJADUBY-UHFFFAOYSA-O 444.045 6.309 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(C)c(C)c2)cc1 11163586 COPYGHBKFYIZCN-UHFFFAOYSA-O 429.609 5.693 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1C1CC1 15278149 MPTMESTURZSOJB-JTQLQIEISA-N 430.883 5.133 30 20 IKED COc1ccc(/C=C2\S/C(=N\c3c(C)cccc3C)NC2=O)cc1OCc1ccccc1 20859618 VTOAILDHKGAGDH-HAHDFKILSA-N 444.556 5.783 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc(C(C)(C)C)cc2)s1 22730410 VRSUOXJGGBIDFM-UHFFFAOYSA-O 444.045 6.346 30 20 IKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccccc2C)cc1 28695932 MDFQQDXOFLRQDZ-UHFFFAOYSA-O 448.612 5.433 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)nc2sccc2c1=O 36801854 LRNQLRNYUUOLBL-GJZGRUSLSA-N 427.595 5.277 30 20 IKED COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)N2CCC(C#N)CC2)cc1 61585066 QLYKMYGEEWVFJT-HEHNFIMWSA-N 437.543 5.496 30 20 IKED Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c12 195707108 AUZDUIFJLOZHFC-UHFFFAOYSA-N 440.503 5.552 30 20 IKED N#CCCn1cc(CNCc2ccc(-n3cnc4ccccc43)cc2)c(-c2ccccc2)n1 237833700 FVAULPSTYFWKED-UHFFFAOYSA-N 432.531 5.092 30 20 IKED CCCN(C(=O)c1cccs1)C1CCN(c2c(C#N)cnc3c(C)cc(C)cc23)CC1 301733670 AKRHCWUWTXEXKS-UHFFFAOYSA-N 432.593 5.306 30 20 IKED C[C@H](Nc1snc(Cl)c1C#N)c1nc(-c2ccc(Br)cc2)cs1 301954713 KUMJMVDHXHIPTB-QMMMGPOBSA-N 425.764 5.727 30 20 IKED C=CCN(C(=O)c1cnc(Cl)c(Br)c1)c1nc(-c2ccccc2)cs1 327925634 MHNFKIGYOBPLTM-UHFFFAOYSA-N 434.746 5.454 30 20 IKED Cc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC(C)C 427883852 GGASJOUXAQMZRG-UHFFFAOYSA-N 429.476 5.023 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nc(C(F)(F)F)cs1 428598891 MHIZUEWDBMXZTQ-CYBMUJFWSA-N 447.507 5.817 30 20 IKED COc1cc(-c2nnc(S[C@@H]3CC[C@@H](C#N)C3)n2C2CCCCC2)cc(OC)c1OC 430136984 VCHFNYZIMIUABU-CRAIPNDOSA-N 442.585 5.260 30 20 IKED N#Cc1ccc(C(=O)Nc2ncc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)s2)o1 431324155 UFNFSCKQPNPDQG-UHFFFAOYSA-N 445.344 5.488 30 20 IKED C[C@H](NC(=O)NCCc1cccc(C(F)(F)F)n1)c1ccc(-c2cccc(C#N)c2)cc1 432561246 YOXNTJCHROKKNH-INIZCTEOSA-N 438.453 5.242 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1)c1ccccc1 433171223 AMLJUTUYMUNALH-QFIPXVFZSA-N 431.496 5.158 30 20 IKED N#CCCn1cc(CNCc2ccc(Oc3ccccc3F)c(F)c2)c(-c2ccncc2)n1 433338543 HQNZOSQSVUANEU-UHFFFAOYSA-N 445.473 5.219 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(-c4nc(C5CC5)no4)cc3)cc2)c1 433706090 BVVIHFUUUKWAFH-UHFFFAOYSA-N 436.471 5.317 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccnc(Oc3ccc(F)cc3F)c2)cc1 433744321 IUJVBWXOUAEGKK-UHFFFAOYSA-N 439.422 5.104 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)Nc3ccc(OC4CCCC4)cc3)cc2)c1 437538370 RCMUCOINXAUDLG-UHFFFAOYSA-N 441.487 5.249 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)Nc2cccc(OC3CCCC3)c2)cc1 437552102 YGOSMKBRPBCJQJ-UHFFFAOYSA-N 441.487 5.249 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2c(F)cccc2Br)c1 438445440 CCKKNOVVHYHOAS-UHFFFAOYSA-N 425.257 5.291 30 20 IKED N#Cc1cc(NC(=O)NCCc2nccs2)ccc1Oc1ccc(C(F)(F)F)cc1 438541451 PQWAACUWHDRNSN-UHFFFAOYSA-N 432.427 5.190 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2c(F)cc(Br)cc2F)c1 443878222 KSEAEHIZIBQLEZ-UHFFFAOYSA-N 443.247 5.430 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 446436380 QDUNJKIXACEVNB-DEOSSOPVSA-N 445.950 5.188 30 20 IKED CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 460666289 DJYGOHPNLWJDQL-UHFFFAOYSA-N 445.494 5.207 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 460791033 IPTJOWOSUQUEIN-RDPSFJRHSA-N 432.568 5.167 30 20 IKED C[C@@H](C(=O)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1)c1cccc(C#N)c1 461897679 DHYIMXPSXDWEEW-CQSZACIVSA-N 438.409 5.310 30 20 IKED N#Cc1cc(Oc2ccc(NC3CCN(C(=O)c4ccccc4Cl)CC3)cc2)ccn1 463254410 JCXUMVJVNHGHIG-UHFFFAOYSA-N 432.911 5.116 30 20 IKED COc1ccc(C2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CC2)cc1 467730438 NCUNHDYGCDWEOD-UHFFFAOYSA-N 445.494 5.910 30 20 IKED C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(-c2ccc(F)cc2)s1 469056751 OKFWOWRDCAAIKP-KRWDZBQOSA-N 433.552 6.310 30 20 IKED Cc1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1C(=O)N(C)C(C)C 470448079 KFOPFACJKWHWNK-UHFFFAOYSA-N 441.531 5.178 30 20 IKED CC1(C)CC[C@H](NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2ccccc21 470544920 AQBDQNZSNHTWAV-QFIPXVFZSA-N 430.552 5.204 30 20 IKED N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2nc(-c3ccccc3C(F)(F)F)cs2)cc1 470976626 RWQQURILUDXYQK-HNNXBMFYSA-N 426.423 5.022 30 20 IKED O=C(NCC1(C(F)F)CC1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 471268937 UNRDLTRSBLVFDX-KHNNNQPQSA-N 433.383 5.270 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)CC2)o1 472935800 BFRHEHYGCBSKCH-UHFFFAOYSA-N 436.899 5.156 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)N(CCC#N)Cc2ccccn2)c(C(F)(F)F)c1 473788099 OKQFSXUQYOHRGY-OAHLLOKOSA-N 436.503 5.939 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)c1ccccc1C(F)(F)F 473794289 BVDSYELSYNYQJY-HNNXBMFYSA-N 447.482 5.425 30 20 IKED COc1ccc(Br)cc1[C@H]1CCCN1C(=O)C[C@@H](CC#N)c1ccccc1 475452366 UHRGNBIKYLRUPS-YLJYHZDGSA-N 427.342 5.209 30 20 IKED N#C[C@@H](C(=O)c1ccc(Sc2ccc(Cl)cc2)o1)c1nc(-c2ccncc2)cs1 478571403 WSGDRXZENQJORJ-INIZCTEOSA-N 437.933 6.093 30 20 IKED CCc1c(NC(=O)c2ccc(COc3ccccc3C#N)o2)cnn1-c1cccc(C)c1 482695510 XUNMKEAKQAENMO-UHFFFAOYSA-N 426.476 5.039 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 482962927 WPSFUXQLFAPRAI-HUUCEWRRSA-N 432.952 5.274 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)c2)cc1 482997501 TYFKKUYFWMZEQJ-UHFFFAOYSA-N 425.347 5.112 30 20 IKED O=C(NC[C@H]1CCCC[C@H]1C(F)(F)F)Nc1cccc(COCC(F)(F)C(F)F)c1 483456213 OZXUWBGKZQSFRR-UKRRQHHQSA-N 444.391 5.594 30 20 IKED CCOc1ccc(-c2nc(CC)c(C(=O)[C@@H](C#N)c3cnc4ccccc4n3)s2)cc1 483980752 DXZZHZGCABJOTQ-KRWDZBQOSA-N 428.517 5.204 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Cl)ccc3OC(F)F)n2)cc1 484554442 FTQTXCMXHCSQDB-OAHLLOKOSA-N 434.851 5.564 30 20 IKED N#Cc1ccc(CN2CC[C@H](NCc3ccc(-c4cccc(Cl)c4Cl)o3)C2=O)cc1 486894417 MKOYZZWJAQLGJC-FQEVSTJZSA-N 440.330 5.016 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)nnc1-c1ccccc1C 488899056 NNCXHTYANYMOML-PKOBYXMFSA-N 438.622 5.345 30 20 IKED Cn1cc(CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(-c2ccc(C#N)cc2)n1 491094840 ZKERVSZZMRVZAH-UHFFFAOYSA-N 435.506 5.172 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)Cc3ccc(Br)cc3)c2)cc1 501450990 QBYIQOGBXUDEPL-UHFFFAOYSA-N 435.321 5.275 30 20 IKED CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)no1 501774169 XQRFPZUHXATQGW-FQEVSTJZSA-N 431.496 5.009 30 20 IKED Cc1nc(NC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)sc1SCC#N 504836732 ISKGWNKVVXODGL-UHFFFAOYSA-N 431.546 5.172 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1cc(Cl)cc2cccnc12 505825212 LCRMLFFTQWSXDL-UHFFFAOYSA-N 440.931 5.676 30 20 IKED COc1ccc([C@@H](CNC(=O)c2cc(C#N)ccc2Cl)c2c[nH]c3ccccc23)cc1 505999500 HINLKQCVDGXYAF-OAQYLSRUSA-N 429.907 5.263 30 20 IKED N#CCCCn1cc(C(=O)N(CCn2ccnc2)Cc2cccc(Cl)c2)c2ccccc21 507405660 QLOCRLAUXONRRS-UHFFFAOYSA-N 445.954 5.138 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccccc2SCc2cscn2)cc1 507887632 KVKQFSANULFYKH-UHFFFAOYSA-N 443.553 6.352 30 20 IKED Cc1c(Cl)cccc1NC(=O)CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 508265464 JMQFVSMCWJHCRC-UHFFFAOYSA-N 448.910 5.463 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1 510533531 LKCWUQBDTXTZAY-HXUWFJFHSA-N 441.984 5.513 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCO[C@@]4(CCc5ccccc54)C3)c2)cc1 510869574 PYFGHJVIVWFIDB-SANMLTNESA-N 425.488 5.056 30 20 IKED CC(C)Cc1ccc([C@H](C)NC(=O)CNc2ccccc2Oc2ncccc2C#N)cc1 511083754 WFVAFXSAYNZMCV-IBGZPJMESA-N 428.536 5.233 30 20 IKED CC(C)(CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 511487653 BBKQHZHCZRLWSA-QFIPXVFZSA-N 445.950 5.028 30 20 IKED Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cccc(COc2ccccc2C#N)c1 513470429 WEVURZUUTVNLBO-UHFFFAOYSA-N 425.488 5.047 30 20 IKED COc1cc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc(OC)c1Br 515449487 XKUBABDVBRZSBU-UHFFFAOYSA-N 449.370 5.311 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(-c3nc4ccccc4s3)s2)n1 517923486 KOXOZVOTWSRNQY-LLVKDONJSA-N 439.543 5.148 30 20 IKED Cc1c(C(=O)Nc2cccc(OCCCC#N)c2)nnn1-c1ccc(-c2ccccc2)cc1 518193233 KZELIBMIPSYHAM-UHFFFAOYSA-N 437.503 5.178 30 20 IKED C=CCOc1ccccc1CNC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 521965613 SSKHNSFTCSEUSS-INIZCTEOSA-N 442.968 5.498 30 20 IKED Cn1c(CCCNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)nc2ccccc21 522928178 YRVFWANGCHKKFZ-UHFFFAOYSA-N 444.922 5.253 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc3ncccc3c2)cc1Cl 525535109 GJQGKJIEUAKAIC-OAQYLSRUSA-N 433.920 5.344 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H](C)c1cccc(C(F)(F)F)c1 532490923 PCTIXQYIVJCKNT-HZPDHXFCSA-N 435.515 5.731 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(CCc2ccc(O)cc2)CC1 532922642 JUHOIXMJOHIYSS-IBGZPJMESA-N 437.609 5.070 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H](CO)c2ccc(C(F)(F)F)cc2)cc1 535488695 ICMIARZKYXLJGI-HXUWFJFHSA-N 441.409 5.224 30 20 IKED CC(=O)[C@@H](C)CCCCC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 537478845 XUNFEYZUVZIXBQ-ZDUSSCGKSA-N 437.487 5.348 30 20 IKED C=CCC[C@H](N[C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1)c1ccc(C(F)(F)F)cc1 539054473 POLUKLSOHMIOSD-BEFAXECRSA-N 441.515 5.476 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)c3ccc(Br)cc3Cl)n2)c(Cl)c1 542968064 VKAPJOSWTRNAPG-UHFFFAOYSA-N 436.096 5.066 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)CC1 548769476 GLNNTBMTYKPADG-UHFFFAOYSA-N 442.371 5.814 30 20 IKED Cc1ccccc1COc1cccc(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)c1 548811114 QSQOVKURZUXEDC-UHFFFAOYSA-N 426.520 5.058 30 20 IKED CC(C)C(=O)c1ccc([C@@H](C)C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 549007043 NYTNOMBBSQXCLJ-FQRUVTKNSA-N 440.543 5.589 30 20 IKED Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 554180549 POAKZLMJDQWMGD-JTQLQIEISA-N 438.347 5.008 30 20 IKED C=C(C)Cn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCC(C)(c2nc(C)no2)CC1 558982752 ZDQCMCQYXBDCIM-UHFFFAOYSA-N 447.370 5.078 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1 561272438 FSYHZEAGMAQHQX-UHFFFAOYSA-N 438.915 5.058 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3cc(Cl)ccc3-c3nc(C4CC4)no3)on2)c1 565152601 FISCJAMIYUXGGS-UHFFFAOYSA-N 431.839 5.046 30 20 IKED N#CCCSc1ccccc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 570115959 YFOMCKHGBRHBGH-UHFFFAOYSA-N 441.456 5.350 30 20 IKED COC1(c2noc([C@@H]3CCCN3c3ccc(C#N)cc3)n2)CCC(c2ccccc2)CC1 586757721 FYVZSNWOIXTBPP-JEPVQIMHSA-N 428.536 5.482 30 20 IKED C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NCc1ccc(C#N)c(Cl)c1 586779262 LJWDRFCJRFICPM-LLVKDONJSA-N 430.257 5.391 30 20 IKED Cc1cc(I)cc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)c1 588030914 ULWVOLDKCIQZNH-UHFFFAOYSA-N 431.060 5.030 30 20 IKED N#CCCC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1ccccc1 590068631 IOVSKFYOWUCTLF-PZJWPPBQSA-N 430.474 5.018 30 20 IKED N#CCCC[C@@H](NC(=O)C(=O)Nc1cccc(Sc2ccccc2)c1)c1ccccc1 590300098 BJGBUNHGTQHQQZ-HSZRJFAPSA-N 429.545 5.328 30 20 IKED CC(=O)N[C@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 603758732 DARUIAKXUDUMTG-ISKFKSNPSA-N 431.923 5.201 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COCc2nc3ccccc3s2)cc1Cl 603766009 IXZFTLYZBDTVJH-IBGZPJMESA-N 447.947 5.760 30 20 IKED COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)N[C@@H](C#N)CC(C)C)s1 608821589 AXLUOZBAMIGXEI-GOSISDBHSA-N 434.565 5.159 30 20 IKED COc1cc([C@H](C#N)NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)cc(OC)c1OC 609006304 HQFNFSREQHICMQ-INIZCTEOSA-N 442.924 5.089 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)c3nccs3)cn2)cc1 609147637 YOOQXMWRTHWZFC-OAQYLSRUSA-N 427.489 5.113 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCCO[C@H](c4ccccc4)C3)c2)cc1 609253405 IMQBGCOYHXVMEM-SANMLTNESA-N 441.531 5.327 30 20 IKED CC(C)(c1ccccc1)c1nnc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)s1 609304284 MNTPZAGVPQKHRW-UHFFFAOYSA-N 444.516 5.160 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 609377702 ZXNZSODZYWOFRS-CVEARBPZSA-N 448.514 5.207 30 20 IKED C[C@H](NC1(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)CCCC1)c1ccccc1 609469810 NEEAQOPBPQKFQJ-UXHICEINSA-N 436.625 5.866 30 20 IKED N#C[C@H](NC(=O)c1ccc(N2CCc3ccccc3C2)cc1)c1ccccc1Br 609589847 NOQUTPAZFCSNKA-QHCPKHFHSA-N 446.348 5.006 30 20 IKED C=CCN(C(=O)C[C@@H](C)c1cccc(F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 609694373 DMUKPFCUMPGNPM-OAHLLOKOSA-N 425.485 5.570 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2cn3cc(Cl)ccc3n2)c1 609729711 MJULIIGONJEWRD-UHFFFAOYSA-N 437.286 5.235 30 20 IKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cc3csc(-c4ccoc4)n3)c2C#N)C1 609966148 LKHCDTLQVXCMIF-AWEZNQCLSA-N 425.579 5.668 30 20 IKED CCCc1c(C(=O)Nc2cccc(OCCCC#N)c2)nnn1-c1cccc(C(C)C)c1 610171782 SXKFUSRGJJEWIF-UHFFFAOYSA-N 431.540 5.278 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F 610174926 NLRLRBPGPDFVQE-KGLIPLIRSA-N 426.410 5.732 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 610605466 IEMARTUGLOQUIP-HUUCEWRRSA-N 444.400 5.522 30 20 IKED N#Cc1cc(CSc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccco2)ccn1 610955079 POWWGOAQBLIHPE-UHFFFAOYSA-N 442.331 5.452 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1ccc2ccccc2n1 613292733 TUHRHGJWYMPKDB-IBGZPJMESA-N 438.874 5.824 30 20 IKED CC(C)NC(=O)Nc1ccccc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613404459 NUYSXEIFIPJMIC-AWEZNQCLSA-N 446.454 5.335 30 20 IKED CC[C@H]1c2ccccc2CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 614149619 GGDNAAZKJRSCPJ-SANMLTNESA-N 425.532 5.873 30 20 IKED N#CCCCn1cc(C(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)c2ccccc21 618206223 JIJUSMWEHLUJSP-UHFFFAOYSA-N 439.519 5.015 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnc2onc(C(C)(C)C)c2c1 623596287 GZYAMZVOKCSPAV-UHFFFAOYSA-N 446.320 5.250 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3OCc3csc(C)n3)n2)cc1 642281241 RCJDJWNZFMIRPV-HXUWFJFHSA-N 445.569 5.953 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc(Cl)c1OCC(C)C 642282660 RGFBMJCPHLQDDX-AWEZNQCLSA-N 447.869 5.618 30 20 IKED O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 684804633 PQRDUQHLWVXZOK-PYJNHQTQSA-N 448.329 5.334 30 20 IKED COc1cccc(NN=Cc2cn(-c3ccccc3)nc2-c2cc(OC)ccc2OC)c1 725853727 ZIRWHGDYTQOYAK-UHFFFAOYSA-N 428.492 5.011 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(Cc2ccc(F)cc2)n1 727038195 HTCWXJZJKLLGHN-AWEZNQCLSA-N 448.306 5.141 30 20 IKED CCN(C(C)=O)c1nc(/C=C\C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cs1 727655339 VTHIMDUTBGEXLK-KTKRTIGZSA-N 431.970 5.497 30 20 IKED CCCCC[C@@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccccc1 728136369 JRABRCKYTKRHOC-XMMPIXPASA-N 432.568 5.240 30 20 IKED COc1cc(C(=O)/C=C\c2csc(-c3ccc4c(c3)OCO4)n2)ccc1OC(F)F 728439142 FTKQWFPFOZHSQZ-PLNGDYQASA-N 431.416 5.045 30 20 IKED CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 732398623 AJKCHSPNTMCNNY-ROUUACIJSA-N 443.503 5.443 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccccc1Br 733080414 MPCGNDVTBWPCHX-UHFFFAOYSA-N 436.235 5.156 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC(C)(C)c2cccc(C(F)(F)F)c2)c1 733801698 UFBJIZUSQPWZES-IBGZPJMESA-N 433.474 5.163 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@@H]1c1cnc(-c2ccc(C)cc2)s1 734415010 SQMPLAALEWMVLK-HXUWFJFHSA-N 439.993 5.291 30 20 IKED CCN(Cc1ccccc1)c1ccc(CNc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1 742385064 IBENLBPDWQNYMT-UHFFFAOYSA-N 440.591 5.158 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)[C@H](Oc3ccc(Cl)cc3)c3ccccc3)o2)cc1 744881973 SAFVMMCBLWSWAA-JOCHJYFZSA-N 445.862 5.125 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)Cn2c(COc3ccccc3)nc3ccccc32)n1 747197987 QTQRKMWZQHFAJO-GOSISDBHSA-N 430.533 5.072 30 20 IKED COc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OCCCC#N 747473207 ZQRUAUPRNKIJAR-XDHOZWIPSA-N 444.965 5.437 30 20 IKED CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(C#N)s2)NC(=S)N1c1ccccc1 749014842 PASCLSUZIKGLAU-JOCHJYFZSA-N 444.585 5.277 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2cc3cccc(OCC)c3o2)cc1C#N 752303679 DRLUTWAOQYCJDV-AWEZNQCLSA-N 436.468 5.154 30 20 IKED O=C1CSc2sc(C(=O)/C=C/c3ccc(OC(F)F)c(Br)c3)cc2N1 758026585 SAEQHWCZADTCAA-HNQUOIGGSA-N 446.294 5.052 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cs1 759119885 DSZYFATZDJZQOA-YRNVUSSQSA-N 449.507 5.093 30 20 IKED O=C(/C=C/c1c(Cl)oc2ccccc12)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 761204135 FDAHYGQMEPTCIW-MDZDMXLPSA-N 428.815 5.318 30 20 IKED COc1ccccc1[C@@H](NC(=O)Nc1ccc(F)cc1OCC#N)c1ccccc1Cl 761665306 OTIFSNIHDBZQPS-QFIPXVFZSA-N 439.874 5.301 30 20 IKED Cc1nc2cc(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)ccc2n1-c1ccccc1 764310429 JCSKHPZWSUFXKI-UHFFFAOYSA-N 431.839 5.020 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)cc1 766290165 SINCGAITMVIENN-AHWVRZQESA-N 436.490 5.787 30 20 IKED C[C@H](CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)C1CCN(C(=O)OC(C)(C)C)CC1 766350445 LMILLOYKHGSXKM-PBHICJAKSA-N 445.560 5.285 30 20 IKED Cc1sc2ncn(N=Cc3ccc(SC(F)(F)F)cc3)c(=O)c2c1-c1ccccc1 767046376 KEZFOENNGNVDAK-UHFFFAOYSA-N 445.491 5.928 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 767765023 XKPJKIODXSRHLT-WBVHZDCISA-N 433.499 5.979 30 20 IKED N#C[C@H](C(=O)[C@H]1CCCN1Cc1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 768782736 YGEUTOGMMVJAGY-SJLPKXTDSA-N 429.467 5.156 30 20 IKED CC(C)(C)OC(=O)C1CCC(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 769953503 KQDXDGWQQMWZSR-IQWMQGJTSA-N 433.552 5.364 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(-c3ccccc3OC)cc2)ccc1OC 772978589 GGCXZMGDYYAUGD-CVDCTZTESA-N 430.548 5.903 30 20 IKED O=C(/C=C/c1ccc(Cl)c(Br)c1)c1ccc(S(=O)(=O)CC(F)F)cc1 776190831 ZLTAFEQNUFNTBJ-KRXBUXKQSA-N 449.700 5.037 30 20 IKED CCOC(=O)Nc1ccc(NCc2ccc(OCc3cccs3)c(OC)c2)cc1C#N 779603408 XXKXYQIBJWVDAL-UHFFFAOYSA-N 437.521 5.388 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCCc3nc(C)sc32)cc1 780539193 SXCOVZJCIXLNBO-LJQANCHMSA-N 434.521 5.323 30 20 IKED CC(C)(CC(=O)OCC(=O)Nc1ccccc1SCC#N)Cc1ccc(Cl)cc1 782391099 IJALBGPCNZRDKN-UHFFFAOYSA-N 430.957 5.096 30 20 IKED CCCc1c(NC(=O)c2ccccc2SC(F)(F)F)cnn1-c1cccc(C#N)c1 784715375 PIGYFRBYQIBIOH-UHFFFAOYSA-N 430.455 5.561 30 20 IKED N#C[C@H](C(=O)NCc1ccc(F)cc1F)C(=O)c1cc2sc3ccccc3c2s1 786555291 SMQUUAMVWLAVFQ-AWEZNQCLSA-N 426.469 5.033 30 20 IKED C#CCn1ccc(CN(CC)C(=O)Nc2ccc(S[C@@H](C)CC)cc2C(F)(F)F)n1 788591774 KFQLKIBTIZAWTG-HNNXBMFYSA-N 438.519 5.480 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cc(F)ccc3Br)n2)cc1 790766754 FKOAIAWDFBSLCJ-MRXNPFEDSA-N 429.314 5.439 30 20 IKED Cn1c(C(=O)[C@H](C#N)c2nccc3ccccc23)ccc1-c1ccccc1Br 792095216 VGHPFUZHWVCDDQ-GOSISDBHSA-N 430.305 5.493 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CC(C)(C)CC(=O)c3ccccc3)n2)cc1 799604293 GWPKIFSWLILAAH-HXUWFJFHSA-N 432.545 5.684 30 20 IKED O=C([C@@H](F)c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 801685580 WLLBJEOSSZOXLL-RISCZKNCSA-N 440.384 5.598 30 20 IKED N#CCCCn1cc(-c2nc(-c3ccccc3N3CCCOC3=O)no2)c2ccccc21 809492559 HSHWPNVRNWBHDS-UHFFFAOYSA-N 427.464 5.009 30 20 IKED O=C(COC(=O)c1c(F)cc(C(F)(F)F)cc1F)c1ccc(C(F)(F)F)nc1Cl 811420105 PZAGURCUYBZJGQ-UHFFFAOYSA-N 447.665 5.091 30 20 IKED Cc1cccc(C(=O)N2C[C@@H](c3ccc([N+](=O)[O-])cc3)SC2=Nc2ccccc2C)n1 892305491 YVRIJYOBUONMJY-NRFANRHFSA-N 432.505 5.225 30 20 IKED O=C(c1nccnc1-c1nc2ccccc2s1)N(O)Cc1cc(Cl)cc(Cl)c1 901379884 HMJOIESSPQISQU-UHFFFAOYSA-N 431.304 5.092 30 20 IKED Cc1sc2ncn(N=Cc3csc(-c4ccccc4)n3)c(=O)c2c1-c1ccccc1 916283877 YEOBDFWSGFMIKD-UHFFFAOYSA-N 428.542 5.439 30 20 IKED COc1ccc2cc(/C=C/C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)ccc2c1 916928320 YAFWCMDFMGPUMF-JFKHNGDKSA-N 439.298 5.516 30 20 IKED N#C[C@H](C(=O)Cc1ccc(Cl)c(Cl)c1)c1nc2cc(C(F)(F)F)ccc2s1 917043299 KLIOEYOZOMKKCT-LLVKDONJSA-N 429.250 6.041 30 20 IKED N#C[C@H](C(=O)CCCOCCc1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 917044266 QDMALDGRBHHORC-QGZVFWFLSA-N 432.467 5.531 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)cs1 917561307 AEZRIKQPOFFEDA-SSZFMOIBSA-N 442.515 6.530 30 20 IKED COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1F 917613986 RYHDVDOWQJMWPK-BJMVGYQFSA-N 437.423 5.226 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 920872157 HLEFEDRLCBZGGN-FNZWTVRRSA-N 440.547 5.061 30 20 IKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc2nc(O)oc2c1 1668190292 VVUUJFLZUZDEJZ-INIZCTEOSA-N 442.475 5.061 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](OC)c3ccccc3)cc2)CCC1 1787851393 KCWRHLMODXGZEC-RPWUZVMVSA-N 432.564 5.277 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4nc[nH]c34)CCC2)cc1 1789451303 GHPAIFHKRXIXJO-HXUWFJFHSA-N 428.536 5.079 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cncc4cnccc34)cc2)CCC1 1790007566 IBPLXWIADAKIHC-UHFFFAOYSA-N 442.563 5.370 30 20 IKED N#CCCC(=O)NC1(c2ccc(NC(=O)CCc3ccc(Cl)cc3Cl)cc2)CCC1 1791191410 DUVNCYMDXSCLDA-UHFFFAOYSA-N 444.362 5.364 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccccc3C3CC3)cc2)CCC1 1792087505 LEXIWHLNRQJYMP-GOSISDBHSA-N 433.552 5.113 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C1 1805456202 GVMMVJRMMYAYKF-UHFFFAOYSA-N 448.529 5.319 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)CCc3ccc(C)c(F)c3)C2)CC1 1805953368 LKFHIFPLSOJKPF-HSZRJFAPSA-N 440.603 5.066 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ccoc23)n[nH]1 1821537207 LYQNXFUYBTUHCN-FQEVSTJZSA-N 434.540 5.454 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823214340 BVZHFYGKRJPGLU-ZEYPLWLESA-N 445.567 5.111 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cccs2)CC1 1824141621 XWCHHFQZNCMXQT-OTOIZHKDSA-N 426.626 5.149 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 1824144873 KWSIHALNMAFHJS-JIMJEQGWSA-N 434.624 5.178 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cc(C)cs2)CC1 1828821395 MKWCUSVOEFHFDO-RPWUZVMVSA-N 442.669 5.377 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2scnc2C2CC2)CC1 1829066225 VYBWFQOJYGNTAB-HXUWFJFHSA-N 443.657 5.246 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)c(F)c2)CC1 1829968631 IPJCAUBIEQHHDU-ISKFKSNPSA-N 426.576 5.136 30 20 IKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831060365 OCFAYCDHQLUBPX-XMMPIXPASA-N 442.559 5.233 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc3c(ccc4ncccc43)s2)C1 1844639605 UREAUZHLRXKNNB-UHFFFAOYSA-N 447.604 5.259 30 20 IKED C=CCn1c(SCC(=O)N(C(C)C)C(C)C)nc2scc(-c3cccs3)c2c1=O 3472732 PNHQBSRPXGWXCV-UHFFFAOYSA-N 447.651 5.110 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cccc([N+](=O)[O-])c1)=C(/S)Nc1ccc(C(C)C)cc1 11262618 PXGDPGYYTOWESX-UHFFFAOYSA-O 448.568 5.619 30 20 IKED C=CCN(C(=O)CSCC(=O)Nc1cccc(C)c1)c1nc(-c2ccccc2)cs1 14723677 ZZGCEYRSYKDEQX-UHFFFAOYSA-N 437.590 5.009 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)nnc1C1CC1 21143697 ZHMPNIGXZRZLIQ-HXUWFJFHSA-N 449.536 5.030 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 195700479 WUWOAZYPJXQWHR-UHFFFAOYSA-N 439.418 6.122 30 20 IKED C[C@@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)Nc1ccccc1C(F)(F)F 303365695 RBYMEAXRGCWWTD-OAHLLOKOSA-N 425.410 5.808 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCSc2ccccc21 409512638 JUEJUSNYPURQIB-SFHVURJKSA-N 435.362 5.523 30 20 IKED Cc1nc2cc(C(=O)Nc3ccccc3SCCC#N)ccc2n1Cc1ccsc1 409539719 UZWXDZATLZATBG-UHFFFAOYSA-N 432.574 5.713 30 20 IKED CCCc1c(NC(=O)[C@@H](C)c2ccc(C(F)(F)F)cc2)cnn1-c1cccc(C#N)c1 409968620 VVKRPQUQSNDISA-HNNXBMFYSA-N 426.442 5.457 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N[C@@H](CCCC#N)c1ccccc1 432644248 JLUHPBJVDRKNBA-QHCPKHFHSA-N 426.520 5.804 30 20 IKED CN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nc2cc(Cl)ccc2s1 435972268 CGLVMLZTHHIWAE-UHFFFAOYSA-N 433.920 5.677 30 20 IKED CC(C)(C)c1ccc(NC(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 437351765 JAGVBQMIRBQYDA-UHFFFAOYSA-N 427.504 5.012 30 20 IKED C=CCC[C@H](NC(=O)Nc1cccc(Cn2cncn2)c1)c1ccc(C(F)(F)F)cc1 442219489 WAHXMYPJYZZSKS-FQEVSTJZSA-N 429.446 5.174 30 20 IKED N#C[C@@H](C(=O)c1cccc(Sc2cccc(Br)c2)n1)c1nc2ccccc2[nH]1 442616955 NEWBBXMVDRDQTI-HNNXBMFYSA-N 449.333 5.362 30 20 IKED COc1ccccc1C(=O)Nc1ccc(Oc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)cc1 443424045 FVNJMMVGSQBHEA-UHFFFAOYSA-N 440.415 5.068 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(Br)c(Cl)c2F)cc1 444096395 OVJHEJBIBLUGHA-UHFFFAOYSA-N 425.685 5.201 30 20 IKED C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1CCC(c2nnc3ccccn23)CC1 460549821 BGWXPSQFOLNNKC-UHFFFAOYSA-N 449.562 5.101 30 20 IKED C[C@@H](C(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1)c1cccc(C#N)c1 462066160 GALWPXJRQAPNAF-QGZVFWFLSA-N 442.494 5.030 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1 463480247 FMASPNRWAKMZBR-UHFFFAOYSA-N 441.365 5.317 30 20 IKED C[C@@](C#N)(CCc1ccccc1)NC(=O)CCc1nc2cc(Br)ccc2s1 463771912 WXCLNUWZTAJCJT-NRFANRHFSA-N 442.382 5.023 30 20 IKED CC(C)(C)[C@H](C#N)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 464709229 HUYCUYPIWIZGEI-KRWDZBQOSA-N 437.443 5.433 30 20 IKED CC(C)Oc1ccc(-c2nc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cs2)cc1 464944658 XUHVNQFRAUXGDW-GGAORHGYSA-N 431.561 5.509 30 20 IKED C[C@H](NC(=O)N[C@@H](c1cc(F)ccc1F)c1ccccc1Cl)c1ccc(C#N)cc1 465669608 ZOISVSNKRHTWNW-RCDICMHDSA-N 425.866 5.640 30 20 IKED N#CCCSc1ccccc1NC(=O)c1ccc(Sc2ccccc2Cl)nn1 468858567 GIKGOPYUFRHBCP-UHFFFAOYSA-N 426.954 5.539 30 20 IKED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc2ccccc2c1OC(F)F 469021817 MTMIBGKCZBTCPX-QGZVFWFLSA-N 449.501 6.197 30 20 IKED N#C[C@@H](NC(=O)c1ccc(Sc2ccccc2Cl)nn1)c1cccc(C(F)(F)F)c1 469298726 OYTWUSVUEXECJY-MRXNPFEDSA-N 448.857 5.295 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CNc2cccc(OCc3cccc(C#N)c3)c2)c1C 470537589 JGOHYAFMHSJTEE-UHFFFAOYSA-N 438.531 5.113 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@H](c3ccc(F)cc3)C3CCC3)ccc21 470561317 RATKFEBDMJWHLY-DEOSSOPVSA-N 434.515 5.072 30 20 IKED C=CCN(C(=O)c1ccc(OCCOC)cc1Cl)c1nc(-c2ccccc2)cs1 471349091 UIXBYXCOASHGKB-UHFFFAOYSA-N 428.941 5.322 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 475566677 UTWYYUHIRZUGGJ-UHFFFAOYSA-N 439.563 5.312 30 20 IKED COc1ccccc1-c1csc(C2CCN(C(=O)C[C@@H](CC#N)c3ccccc3)CC2)n1 477016080 CCSCHHYFPLDAMY-OAQYLSRUSA-N 445.588 5.612 30 20 IKED O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NCC#Cc1ccc(C(F)(F)F)cc1 477532309 CNHBKGJRITYCMP-UHFFFAOYSA-N 434.870 5.193 30 20 IKED C=C(C)[C@H](NC(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1ccc(F)c(F)c1 480746318 QHSCMFPUGCRMIS-NRFANRHFSA-N 440.450 5.243 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2ccccc2)nnc1-c1cccc(Cl)c1 481368490 GFYFFUJYHLCPTE-MRXNPFEDSA-N 426.973 5.096 30 20 IKED C=CCn1c(S[C@H](C)c2nc(Cc3ccccc3)no2)nnc1-c1cccc(Cl)c1 481393284 PCZYCEFLCFYJPD-OAHLLOKOSA-N 437.956 5.612 30 20 IKED CN(C[C@H]1OCCc2ccccc21)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481594660 HPABZLGKDUAMJO-RUZDIDTESA-N 445.494 5.054 30 20 IKED COc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1OCC(F)(F)F 482747438 BBEIRLJKDVHZTC-UHFFFAOYSA-N 442.393 5.553 30 20 IKED C=CCSc1ccccc1C(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 486244845 OKBBAGXEBIOQMV-UHFFFAOYSA-N 428.557 5.349 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N[C@H](CCCC#N)c1ccccc1 487210426 MSXCLMVDPDXACS-LJQANCHMSA-N 427.426 5.834 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)C(=O)c1c(F)cc(F)cc1F 489634669 ZMTIBOWLXMFTBI-CQSZACIVSA-N 447.482 5.132 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2cc(F)c(OC(F)F)cc2F)c1 490265963 BSLYYRLJGDGHAY-UHFFFAOYSA-N 430.357 5.269 30 20 IKED CCN(C(=O)c1sccc1C#N)[C@@H](c1ccc(Br)cc1)c1cccnc1 496448995 PZUGLPVZVAIWSU-SFHVURJKSA-N 426.339 5.029 30 20 IKED CCN(C(=O)CCc1c(C)nn(CCC#N)c1C)[C@H](c1ccc(Cl)cc1)c1ccccn1 497900673 GBWPKBBHKGCQCI-RUZDIDTESA-N 449.986 5.033 30 20 IKED Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)N(CC#N)c3ccccc3)c12 497901057 YALCWDUDPQEQIP-UHFFFAOYSA-N 449.539 5.628 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC(C)(CC)CC)c1 498005788 FPXQIELUUVJZKJ-UHFFFAOYSA-N 434.989 5.030 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)O[C@H](C)C2 499846227 ZSDXSEQWEOJLMH-AGLNLLDASA-N 445.346 5.200 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 501855441 GYCGQPCYAJLGHE-IBGZPJMESA-N 429.520 5.159 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 504447726 BPIGZVYABYMARV-HHHXNRCGSA-N 439.559 5.593 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)sc2nccn12 505414451 KBXBBYHMCQOAQE-GFCCVEGCSA-N 433.345 5.625 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)c1C#N 505744538 QTQGBBWVAFHOSP-UHFFFAOYSA-N 436.924 5.646 30 20 IKED N#C[C@H](NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1cccc(C(F)(F)F)c1 505923011 OPVNLUODAXGNJP-FQEVSTJZSA-N 441.384 5.091 30 20 IKED N#C[C@@H](NC(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1ccc(Cl)c(Cl)c1 505937828 HUSZDUVJLZMMLL-GOSISDBHSA-N 434.323 5.103 30 20 IKED Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)N3CCC(C)(C#N)CC3)cc12 507826139 BHZDKSKKHFGEKU-UHFFFAOYSA-N 447.391 5.527 30 20 IKED CC(C)n1c([C@@H]2CCCN(C(=O)CCCCOc3cccc(C#N)c3)C2)nc2ccccc21 511454144 YPIUCNLQXFCSDC-JOCHJYFZSA-N 444.579 5.444 30 20 IKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc(CN4CCCC4=O)c3)c2C#N)C1 512134413 ZHQMLSUTYLZPEG-GOSISDBHSA-N 435.593 5.145 30 20 IKED COc1ccccc1-c1nnc(Sc2ccc([N+](=O)[O-])cc2C#N)n1-c1ccc(C)cc1 515164323 CAFHDTGKXGIEQU-UHFFFAOYSA-N 443.488 5.182 30 20 IKED CC[C@H](c1cccc(OC)c1)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 516111880 JONIKTHLYHDALG-XMMPIXPASA-N 442.519 5.434 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3c(C)nn(Cc4ccccc4)c3C)n2)cc1 516270401 WTWJRGMPVHDGCT-OAQYLSRUSA-N 442.544 5.170 30 20 IKED C=CCc1ccc(OCC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c(OC)c1 516505391 QDFMKGYFPWGSFX-UHFFFAOYSA-N 440.927 5.003 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 517460627 MTSRNDUSDBELTK-AWEZNQCLSA-N 437.487 5.549 30 20 IKED CCO[C@@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1ccccc1 517906643 CSHXDHPMZVWSKR-LJQANCHMSA-N 445.466 5.341 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2oc3ccccc3c2CSc2cccs2)cc1 520012657 QWFCBFCDOJPXCT-UHFFFAOYSA-N 448.569 5.955 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N(C)C3(C#N)CCC3)cc12 521391198 XTKCTFZOXUCBEJ-UHFFFAOYSA-N 433.364 5.280 30 20 IKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 521834411 PLQPSURDGMQFER-GFCCVEGCSA-N 445.363 5.743 30 20 IKED Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cccc(COc4cccc(C#N)c4)c3)[nH]c2c1 522312703 NXYCXFDYKCEARQ-VWLOTQADSA-N 436.515 5.299 30 20 IKED CCc1nc(COc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cc2)no1 523796807 COYAGTXGLYJALT-LJQANCHMSA-N 444.516 5.133 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CSCc1ccc(C#N)cc1 524250051 YZOMTGQHHKSAQY-UHFFFAOYSA-N 427.529 5.189 30 20 IKED CCc1nc(COc2ccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)cc2)no1 524489183 WNTQPWFUAVPTOC-UHFFFAOYSA-N 440.459 5.127 30 20 IKED C[C@H](CC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccccc1C(F)(F)F 525561894 DYMFRKWVZYWDCG-IPJUCJBFSA-N 430.470 5.577 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1nc(-c2ccc(Cl)s2)cs1)c1ccccc1 531265463 UTLDGNIJLBGQDP-UHFFFAOYSA-N 444.969 5.191 30 20 IKED C[C@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nc(-c2ccccc2)no1 534087342 GOYAVOXPGVOJKI-QGZVFWFLSA-N 439.475 5.326 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccnc(OCC(F)F)c1 536267886 GHJXWXMZVIDLQB-UHFFFAOYSA-N 431.386 5.002 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(c2cccc(F)c2)C2CCOCC2)cc1 537464554 RUSUYPHSWJXGRS-UHFFFAOYSA-N 430.479 5.624 30 20 IKED COc1ccc(CN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H]2CCCC[C@@H]2C)cc1OC 537855112 QHBGSPYETGTEHC-PGRDOPGGSA-N 446.551 5.206 30 20 IKED Cc1ccc(-n2nc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2C)cc1 538532777 ZALIABDGSGWKIX-UHFFFAOYSA-N 436.515 5.387 30 20 IKED CC[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1nc(C(F)(F)F)cs1 544454422 HJJJNTKMPZQCCR-CYBMUJFWSA-N 442.532 5.043 30 20 IKED COc1cc(C#N)ccc1NC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 545297722 BFFIGUXBBXURQE-CYBMUJFWSA-N 427.913 5.136 30 20 IKED N#Cc1ccc(Oc2ccc(-c3nc(-c4ccc(OC5CCOCC5)cc4)no3)cc2)nc1 547205470 SOIPCPCBVSHUDF-UHFFFAOYSA-N 440.459 5.020 30 20 IKED CCC(CC)c1cc(CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)on1 561159930 XHYLCNZKXCLVMA-UHFFFAOYSA-N 428.964 5.026 30 20 IKED C[C@@H](Sc1nc(-c2ccco2)nc2ccccc12)C(=O)N(CCC#N)c1ccccc1 561161161 RCJTVSNCWCPQLZ-QGZVFWFLSA-N 428.517 5.317 30 20 IKED CC1(C)CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@H]1c1cccs1 562146949 INRUKEORYMDOAH-QFIPXVFZSA-N 435.524 5.953 30 20 IKED C[C@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 562764918 IILODMFDQJHKMI-LJQANCHMSA-N 436.515 5.092 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc(Cl)c1Br 564107625 HTSBOIBTWZUCIN-NSHDSACASA-N 438.659 5.646 30 20 IKED C=CCn1c(SCc2nc(-c3ccco3)no2)nnc1-c1ccc(Cl)cc1Cl 571184946 OJGAICQRZFAPCV-UHFFFAOYSA-N 434.308 5.373 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1occc1CN1c2ccccc2C[C@@H]1C 571772015 WKZJTYTXFBZSEX-ROUUACIJSA-N 431.561 5.735 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 574294945 DEKISVAOYLMNCR-AJSBUHFISA-N 432.568 5.010 30 20 IKED C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC[C@H]1c1ccc(COC)o1 582091056 YZLZBPCVRNTVCI-SFHVURJKSA-N 432.446 5.231 30 20 IKED COc1c(Br)cc(Cl)cc1NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 583461735 AIBYUDYTPSAYDJ-UHFFFAOYSA-N 425.685 5.038 30 20 IKED COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1 588348236 FUGOEEARVDVTRX-NRFANRHFSA-N 439.446 5.125 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1nc(-c2ccsc2)oc1C 588791912 IGMOSVBMABYVEA-UHFFFAOYSA-N 449.345 5.370 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)N[C@@H](C)c3ccc(C#N)cc3)c2)cc1 589308749 YLQOQZBOICXMFM-FQEVSTJZSA-N 426.516 5.150 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)c12 603737854 YVVZEOCKNDPXNN-UHFFFAOYSA-N 429.568 5.295 30 20 IKED C[C@H](NC(=O)CNc1ccccc1Oc1ncccc1C#N)c1ccc(Cl)cc1Cl 604007557 BOUFLCKQGHLYAA-AWEZNQCLSA-N 441.318 5.342 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3cccc(F)c3)C[C@@H]3CCCO3)cn2)cc1 604522332 NGIKVFXCDCWEOA-QHCPKHFHSA-N 446.482 5.098 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3cc(C4CC4)nc4c3c(C)nn4C(C)(C)C)[nH]c12 605363687 ZOSHGSDZJFOBBJ-KRWDZBQOSA-N 426.524 5.047 30 20 IKED COc1ccc([C@H](C)N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 609080505 ZNRGEOKKHWCBDM-KRWDZBQOSA-N 449.938 6.024 30 20 IKED COc1cc(C[S@](=O)Cc2ccccc2OC(C)C)ccc1OCc1cccc(C#N)c1 609742996 JJUBIBOCWUYPPO-YTTGMZPUSA-N 449.572 5.382 30 20 IKED CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1 610171348 IOMXAONKODIQAJ-UHFFFAOYSA-N 434.883 5.246 30 20 IKED C[C@H](CC(=O)N[C@@H](C#N)c1ccccc1Br)c1ccccc1C(F)(F)F 610197844 ASHLWLOCKFXBIM-PXAZEXFGSA-N 425.248 5.343 30 20 IKED COCCCOc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 610224414 PYOPJDIEPNAYCB-HSZRJFAPSA-N 434.923 5.663 30 20 IKED N#Cc1ccc(CN[C@@H]2CCCc3nc(-c4ccccc4Br)sc32)c(F)c1 610812853 XEJRYCJHSGPLRA-GOSISDBHSA-N 442.357 5.751 30 20 IKED C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 611557011 YDFJHHZBOZBQLB-PBHICJAKSA-N 435.421 5.471 30 20 IKED N#C[C@H](C(=O)c1ccc(OCC(F)(F)F)nc1)c1nc(-c2ccc(Cl)cc2)cs1 613319517 FZJWRFGOCRSDSN-CQSZACIVSA-N 437.830 5.290 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CC3)cc1 615001965 RRZPOFONPSKPMO-HTXNQAPBSA-N 449.510 5.483 30 20 IKED C[C@H](CC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 619622547 XYUGPXBVZQWSTH-LERXQTSPSA-N 435.330 5.788 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2cc(F)cc(Br)c2F)c1C(F)F 683798790 OSDMCZRWSJHAQG-UHFFFAOYSA-N 448.136 5.152 30 20 IKED C#Cc1cccc(N2C(=O)/C(=C/c3cccc(OCC)c3OC(F)F)SC2=S)c1 726626337 DPTTZSZQYMWMLL-ATVHPVEESA-N 431.485 5.074 30 20 IKED CCc1cccc(CC)c1NC(=O)CNc1ccc(OCc2cccc(C#N)c2)cc1C 728062952 SLYPVFXUFBLLFG-UHFFFAOYSA-N 427.548 5.621 30 20 IKED N#C[C@H](C(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1 728766963 QLPAKXFLKDDKKK-SJORKVTESA-N 434.870 6.376 30 20 IKED CCN(C)c1ccccc1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 730134416 BCVGVHZQWJFRLT-UHFFFAOYSA-N 428.536 5.109 30 20 IKED Cc1c(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)sc2cccc(F)c12 731070236 OLAPQFIFLPSXTG-ZDUSSCGKSA-N 442.537 5.539 30 20 IKED C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCc2ccc(OCC#N)cc2)nnc1-c1ccco1 731156371 QXJWQFYLPHIMJK-BOFXEDATSA-N 434.565 5.730 30 20 IKED N#Cc1ccc(-c2ccn(CN3CCc4c(cccc4NC(=O)Nc4ccccc4)C3)n2)cc1 731661763 CDODQKUNFUPVEJ-UHFFFAOYSA-N 448.530 5.082 30 20 IKED C[C@H](OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(=O)c1ccc(F)cc1F 731724185 FXHHROLYCDYLIC-ZDUSSCGKSA-N 425.362 5.196 30 20 IKED COc1ccc(C(C)=NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)c2ccccc12 733080543 PMRTYSWASGTHLR-UHFFFAOYSA-N 437.425 5.555 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)c1 733807036 QFADCHRQAAOQQU-OZXSUGGESA-N 425.532 5.225 30 20 IKED N#C[C@H](C(=O)CCCc1ccc2c(c1)-c1ccccc1C2)c1nc(-c2ccncc2)cs1 734081827 TVVDMKXWBZAUBA-XMMPIXPASA-N 435.552 5.975 30 20 IKED C[C@@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCN1Cc1ccccc1 743093178 NYHDOPRLSKJPAG-AJTFRIOCSA-N 438.575 5.470 30 20 IKED COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)OCc1ccc(C#N)cc1F 745542104 RGLBSHHNIKBWAG-UHFFFAOYSA-N 434.851 5.063 30 20 IKED COc1ccc(C2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)cc1 746025197 BUURLOHHOARGIC-AREMUKBSSA-N 425.532 5.762 30 20 IKED COCCN(Cc1ccc(C)cc1C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 746658945 IKHLHPIDEFLIDN-SANMLTNESA-N 427.548 5.639 30 20 IKED O=C1/C(=C\c2cnc(-c3ccncc3)s2)CCC/C1=C/c1cnc(-c2ccncc2)s1 753136733 YMAMAKLDICAXPE-BKHHGCLFSA-N 442.569 5.944 30 20 IKED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 753889304 CPBYAVURHXODMZ-VKJFTORMSA-N 431.561 5.442 30 20 IKED C#CC[C@H](NC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)c1ccccc1 757897243 YQAATJJJGSROBW-NRFANRHFSA-N 437.952 5.218 30 20 IKED C=CCOc1ccc(/C=C\c2nc(Cc3nc(-c4ccccc4)oc3C)no2)cc1OC 761492016 ULCAAPQSHJLNBY-QBFSEMIESA-N 429.476 5.368 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)/C=C(/c3ccc(Cl)cc3)C(F)(F)F)CC2)cc1 762192699 VYJCSJUVJOKDSE-MOSHPQCFSA-N 434.845 5.227 30 20 IKED N#Cc1cc(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)c(Cl)c([N+](=O)[O-])c1 764314910 KDNXHFZVYFAMQP-UHFFFAOYSA-N 439.305 5.139 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1cccc(OCc2cscn2)c1 764752393 VXWMIPPKVNCYRR-UHFFFAOYSA-N 449.319 5.050 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)ccc1OC 772980547 SNOHUABWUXSBOQ-MGPUTAFESA-N 439.556 5.798 30 20 IKED N#C[C@@H]1C(CN[C@H](c2ccc(Cl)cc2)C2CCCC2)=CC(=O)n2c1nc1ccccc12 775379242 OTBDWKNBYGGTAE-YKSBVNFPSA-N 430.939 5.398 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)c1nc2cc(F)ccc2s1 780358653 NPXAETAGBCVQPS-UKRRQHHQSA-N 436.537 5.138 30 20 IKED N#C[C@@H](C(=O)/C=C\Sc1cc(F)ccc1F)C(=O)Nc1ccc(Cl)cc1Cl 797942561 FXTBDYJGPLEJCE-FJOGCWAESA-N 427.259 5.225 30 20 IKED CC(C)C(=O)c1ccc([C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 802043761 PLGBWOGBFYZDQC-FOIQADDNSA-N 436.964 6.282 30 20 IKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CC(C)(C)CCC#N)c1 807928853 JDAYUTMWAOQHNX-OAQYLSRUSA-N 448.592 5.285 30 20 IKED Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccccc3N/C=C/C(=O)C(F)(F)F)o2)cc1 809684476 DEDVCYVAKDZIQN-GCZGRYASSA-N 445.397 5.020 30 20 IKED C=CCn1c(SCc2nc(-c3ocnc3C)no2)nnc1-c1ccc(Cl)cc1Cl 820926534 BPRIZBODMDNDIU-UHFFFAOYSA-N 449.323 5.077 30 20 IKED Cc1nc(C)c2c(C)c(C=Nn3cnnc3SCc3ccc(Cl)cc3)sc2n1 874092135 IZAXCDZHSOXSSZ-UHFFFAOYSA-N 428.974 5.036 30 20 IKED Cc1cc(CSc2ccccc2C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)on1 915104570 SCPVFSDQFZODIH-INIZCTEOSA-N 438.459 5.510 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cc(-c4ccncc4)nc4ccccc34)cn2)c1 915174699 APIAECITUZPOMU-UHFFFAOYSA-N 443.466 5.608 30 20 IKED CCOc1ccc([C@@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915352479 LEDGRTPTWUBEPF-FTJBHMTQSA-N 425.532 6.110 30 20 IKED CCCCn1nc(C)c(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)c1Cl 916277115 UFSSEERHXSRWDD-UHFFFAOYSA-N 443.791 5.381 30 20 IKED CC(C)c1cccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1 916847089 LEFYJZUVKWEWHM-RDTXWAMCSA-N 435.549 5.043 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(Br)s1 916909596 PTRNCZVJBKHHEJ-CQSZACIVSA-N 441.306 5.264 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(Cc3ccc(F)cc3)nc2C)cc1 916915640 NBCWEACHSSEJKQ-NRFANRHFSA-N 449.551 5.485 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCn2c3ccccc3c3ccccc32)cc1Cl 916941170 QCVNDFMBPMBJIE-LJQANCHMSA-N 445.906 5.194 30 20 IKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 918276721 HMRXMQJLZZVMLE-DNQXCXABSA-N 425.532 5.184 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1sc2cc(Cl)ccc2c1Cl 920105839 GGVAVIRIMQMQDE-AWEZNQCLSA-N 427.312 6.203 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)C(CC)(CC)Cc2nc3ccccc3s2)n1 920327650 IUFVPKCISNDULJ-CQSZACIVSA-N 441.578 5.155 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(N2CCCC2=O)c1 920977176 VFVKXOUDPNUATD-UQBPGWFLSA-N 438.531 5.352 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cnccc34)CCC2)cc1 1786102967 FQBCNSNGLZRPJV-UHFFFAOYSA-N 428.536 5.079 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3nc4ccccc4[nH]3)CCC2)cc1 1789454367 WQEGGXUNQSJMMC-FQEVSTJZSA-N 428.536 5.079 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccccc4C(F)(F)F)cc3)CCC2)C1 1790248850 NDSRBLHHWYKVNN-UHFFFAOYSA-N 428.454 5.419 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CCC(=O)c3ccc(OC)cc3)CCC2)cc1 1791247362 QSBBHEQOPKXVBR-LJQANCHMSA-N 448.563 5.004 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4[nH]c(C)cc4c3)CCC2)cc1 1791730460 LHEKTKGNSFBMDC-UHFFFAOYSA-N 427.548 5.418 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Cl)c(C)c1Cl)C2 1798338840 KTPYEBDGAPYCCA-MHORFTMASA-N 435.395 5.322 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3[nH]ccc3s2)[nH]n1 1819307578 WQPYBUFDTKDJKZ-MAUKXSAKSA-N 437.569 5.027 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2Cl)[nH]n1 1819308241 YOGLGSYNVWHMCZ-JXFKEZNVSA-N 426.948 5.137 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2Cl)[nH]n1 1819308243 YOGLGSYNVWHMCZ-OXQOHEQNSA-N 426.948 5.137 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)ccc2Cl)[nH]n1 1819308930 IKABKWJASPNGLO-OXJNMPFZSA-N 444.938 5.277 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(Cl)c2)n[nH]1 1820497439 NIGGNDJUOPGDTD-FQEVSTJZSA-N 426.948 5.137 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)ccc2F)CC1 1829884608 JZDGBVFJGXWNJS-JOCHJYFZSA-N 432.555 5.191 30 20 IKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2)CC1 1830055000 LCDLZBYQJWNZEF-QFIPXVFZSA-N 448.529 5.132 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc(C)cc(F)c2)CC1 1831954083 WHKBHMAZQYYKTE-RPBOFIJWSA-N 440.603 5.065 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@]2(F)CCCC=C2F)CC1 1832981836 XKKSBNVHRLQHDX-NLFFAJNJSA-N 436.587 5.344 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(C(C)(C)C)cc2)c1 10174681 HGHGNHHOJREJFI-UHFFFAOYSA-O 445.652 6.502 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(\S)Nc2cccc(C(F)(F)F)c2)c1 11128810 BCULIVRABGGGLV-UHFFFAOYSA-O 446.518 5.308 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)(C)C)cc1)=C(/S)Nc1ccc(C)c(C)c1 11161440 HWRIXXQZOWZCDV-UHFFFAOYSA-O 445.652 6.502 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2cccs2)nc2ccccc12 12424654 TVFHCZVPAGTVBP-UHFFFAOYSA-N 436.949 5.614 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(OC)cc2)[n+]2ccc3c(c2)CCCC3)c1 15247814 SHTIXFRQFXDQLJ-UHFFFAOYSA-O 445.608 5.475 30 20 IKED CCCN/C(S)=C(/C(=O)c1ccc(Cl)s1)[n+]1ccc(Cc2ccccc2)cc1 22804378 MMEOEKKSGISRPY-UHFFFAOYSA-O 430.018 5.218 30 20 IKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3CC)n2)nnc1C1CC1 25020770 PFOMYRPDPNNNCT-UHFFFAOYSA-N 439.610 5.337 30 20 IKED N#C[C@@H](C(=O)CSc1nc(-c2ccccc2)cs1)c1nc(-c2ccccc2)cs1 43751147 NSXVBNUUXDUHTP-KRWDZBQOSA-N 433.583 5.902 30 20 IKED Cc1ccccc1CN1CCC(NC(=O)c2ccccc2Sc2ccccc2C#N)CC1 58400043 TUMRQRKSPCSCSO-UHFFFAOYSA-N 441.600 5.412 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 60549297 XLLHJCXTISZVJZ-SANMLTNESA-N 427.548 5.090 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COc2ccc3ccc(=O)oc3c2)cc1Cl 107648043 VCCPFYLKJBVENK-NRFANRHFSA-N 444.874 5.119 30 20 IKED N#C[C@H](C(=O)C1(c2ccc(Br)cc2)CCC1)c1nc2ccccc2n1C(F)F 195664108 LYUHOWULTJQJEN-OAHLLOKOSA-N 444.279 5.492 30 20 IKED N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1 301614665 IHFLTQNSQUFYBB-GFCCVEGCSA-N 439.363 5.023 30 20 IKED C[C@@H]1CCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@H](F)C(F)(F)F)(C4)C3)CC1(F)F 427676883 CUOOQNJCPVWRNU-RNEBZRLMSA-N 447.410 5.612 30 20 IKED COc1cc(Cl)c(Br)cc1C(=O)Nc1ccccc1SC[C@H](C)C#N 428713767 XCQYWYUPYJMMRY-LLVKDONJSA-N 439.762 5.615 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1)c1ccccc1 432916212 XJPSZPASJJZSQG-HSZRJFAPSA-N 430.483 5.635 30 20 IKED CC(C)Oc1ccc(NC(=O)N(C)[C@H](c2ccc(Cl)cc2)c2cnccn2)cc1C#N 435540568 CIALYUUTWNCTIV-JOCHJYFZSA-N 435.915 5.042 30 20 IKED COCCCOC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 437739257 WMWIUOQKCWYQRP-JOCHJYFZSA-N 441.959 5.045 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1CN(C)Cc1ccco1 438063775 DFSODSLAKKUVCH-IBGZPJMESA-N 448.592 5.485 30 20 IKED CCOc1ccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1OC 438654039 YXUXKTHABHGKQQ-UHFFFAOYSA-N 435.455 5.219 30 20 IKED CCCc1c(NC(=O)c2ccc(OC)c(OC3CCCC3)c2)cnn1-c1cccc(C#N)c1 440086067 DJQYVDALRUVIRB-UHFFFAOYSA-N 444.535 5.279 30 20 IKED CN(Cc1nccn1C(F)F)C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444026306 WLRSYEOBDXJPJZ-LBPRGKRZSA-N 444.326 5.132 30 20 IKED N#CCCCn1cc(C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)c2ccccc21 444047387 GQYPNLYTFMLBIE-UHFFFAOYSA-N 442.563 5.394 30 20 IKED C=C(C)[C@H](NC(=O)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1)c1ccc(F)c(F)c1 460877714 BSZDIPFVDHOAMD-WBVHZDCISA-N 444.404 5.007 30 20 IKED Cc1c(Br)cccc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 463271912 HYHYBAVLFJGVHA-UHFFFAOYSA-N 434.293 5.134 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2ccc(F)cc2F)n1)c1nc(-c2ccc(Cl)cc2)cs1 464527963 RFZGSZSOSOXEHT-HNNXBMFYSA-N 440.862 5.417 30 20 IKED N#CCCCOc1cccnc1NC(=O)N1CCc2ccccc2[C@@H]1Cc1ccccc1 466617598 BTPRCQJOZGFMPC-QHCPKHFHSA-N 426.520 5.138 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)N(C)[C@H](C)c2sc(-c3ccccc3)nc2C)c1 469637974 SIAWJKMUTISFNL-GOSISDBHSA-N 449.576 5.232 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 469663360 PKZDOADCAVFNKI-INIZCTEOSA-N 427.520 5.928 30 20 IKED COC(=O)C[C@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc2ccccc2c1 473682147 YYNHVQMCUJKFMJ-JTSKRJEESA-N 447.560 5.517 30 20 IKED COCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 477871578 BGZBZMQUMWLDEO-QGZVFWFLSA-N 447.343 5.632 30 20 IKED C=C(C)CN(C)C(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 479237080 BOTAJRBOYAKACQ-UHFFFAOYSA-N 431.380 5.047 30 20 IKED COc1ccc2ccccc2c1-c1cc(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)on1 481608390 DVRMFXGKDGFRBT-UHFFFAOYSA-N 440.503 5.626 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCn2cnc3ccccc32)cc1Cl 482561736 XKMDXPAZGYTIGU-FQEVSTJZSA-N 429.911 5.167 30 20 IKED N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1cnc2ccccc2n1 483220944 YHLTVNFCOJVCMP-GOSISDBHSA-N 426.457 5.179 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCC(c3noc(-c4ccccc4OC)n3)CC2)c1 483708715 HRVXGHPVSCDPBZ-UHFFFAOYSA-N 448.523 5.112 30 20 IKED CCC(C)(C)OCc1cccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1C 488847519 ZLULQCYLJHEZOU-UHFFFAOYSA-N 429.520 6.012 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N(C)c1ccc(C#N)cc1 489903213 YGTSIAISTURFOK-UHFFFAOYSA-N 430.533 5.173 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccc(C)c(N2CCNC2=O)c1)c1ccc(C(F)(F)F)cc1 489907438 DPJUVQYKFFVFPT-LJQANCHMSA-N 446.473 5.372 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Br)c(C)c2)cc1C 496954708 GHFPVZAJPRRJCR-UHFFFAOYSA-N 437.341 5.404 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(CN3CCCCC3)c2)cc1C 497933135 GHQOLOHQWDKLOA-UHFFFAOYSA-N 441.579 5.319 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@@H](C#N)c4ccc(Cl)cc4)cc3)o2)cc1 499804885 UUNDKNHDLLXKTI-NRFANRHFSA-N 428.879 5.360 30 20 IKED COc1cccc(CNCc2cccc(OCc3cccc(C#N)c3)c2)c1OC1CCCC1 500886110 DIDDGQMIDAAMMM-UHFFFAOYSA-N 442.559 5.757 30 20 IKED CCOCc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 500906437 YQYZAXYJFOBKRB-QHCPKHFHSA-N 433.939 5.854 30 20 IKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cnn1C1CCOCC1 501103312 YVMGEIMPHLZHHD-NRFANRHFSA-N 434.927 5.104 30 20 IKED CC[C@@H](C)n1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)nnc1-c1ccccc1 504321557 OXJMRQFYOQCZOF-RTBURBONSA-N 433.581 5.344 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@@H](C#N)c1ccccc1Cl 505639637 QDUBFKXLBNORCI-KRWDZBQOSA-N 444.343 5.610 30 20 IKED N#C[C@@H](NC(=O)c1cccnc1SCc1ccc(F)cc1)c1cccc(C(F)(F)F)c1 505971679 QQPSTOPZFMKIMN-LJQANCHMSA-N 445.441 5.526 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@@H]3/C=C/c3ccccc3)s2)cc1 506871942 DZAMITILPUOPPP-DRUFCSCSSA-N 447.589 5.412 30 20 IKED CCCOc1c(Br)cc(C(=O)N(CC)[C@@H](C)c2ccc(C#N)cc2)cc1OC 509615978 HCJCHOFEIQRVCV-HNNXBMFYSA-N 445.357 5.341 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@H](c3ccccc3)c3ccccn3)c2)cc1 509910910 LEHSNUKLNAKWGF-HHHXNRCGSA-N 448.526 5.638 30 20 IKED CN(C)C(=O)c1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 510023532 LPUDDQZEUOJOJT-JOCHJYFZSA-N 446.938 5.019 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2ccccc2)C[C@H]2CCCO2)cc1 510702036 PJUMIIXJRDPVDI-XMMPIXPASA-N 427.504 5.564 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 510855983 BRXSMMGYVIUSAJ-UHFFFAOYSA-N 427.504 5.888 30 20 IKED N#CCSc1ccccc1NC(=O)CN(Cc1ccccc1C(F)(F)F)CC1CC1 511096891 RRMONZVRVVJSSM-UHFFFAOYSA-N 433.499 5.172 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)o1 512093158 VHHJDKHYWAHTKP-UHFFFAOYSA-N 433.464 5.169 30 20 IKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccccc1 512970938 XRKAJWIAZOXPDG-QHCPKHFHSA-N 427.504 5.193 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cnn1-c1cccc(Cl)c1 515540470 WNPCDMIFTGSJGH-OAHLLOKOSA-N 427.316 5.587 30 20 IKED COc1cccc(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1OC 516227352 KREAUJKCXLRVMA-UHFFFAOYSA-N 431.492 5.040 30 20 IKED Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1 518056915 SGTHGEDPZFUHKM-FOIQADDNSA-N 438.984 6.294 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cnn1-c1ccc(F)cc1F 518232524 QHQBRBMFMWWONP-UHFFFAOYSA-N 430.414 5.375 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCCCC(=O)Nc1ccc(Cl)cc1 518683505 WOPNVAYMXQYQND-HNNXBMFYSA-N 430.961 5.132 30 20 IKED CCN(CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(CC#N)cc1 520606207 RHXZGRVZCLUUQZ-UHFFFAOYSA-N 433.383 5.435 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2cccc(N3CCCC3=O)c2)c1 522574771 FSFWFAXQSYPJGQ-UHFFFAOYSA-N 445.906 5.061 30 20 IKED C[C@H](Nc1ccc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc1)c1ccccc1 523655136 ZPOXARGOBIBZCO-IBGZPJMESA-N 447.560 5.189 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 523902291 LUUHGWOBTGOFQV-YTTGMZPUSA-N 443.572 5.227 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ncc(-c3ccccc3)o2)cc1F 525743221 BLPCHDLLJNZZQJ-UHFFFAOYSA-N 428.423 5.466 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccc([S@](C)=O)cc1 533772609 WXXQCMUZBSNMBE-IWAYBZMOSA-N 437.496 5.110 30 20 IKED N#Cc1ccc(-c2nnc(CN[C@H](c3ccc(Cl)c(C(F)(F)F)c3)C3CC3)o2)cc1 539423172 CYFBEESRYLAOOX-IBGZPJMESA-N 432.833 5.521 30 20 IKED Cc1nc(-c2cccs2)sc1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 543894761 QWXKCFKMQZAKLB-UHFFFAOYSA-N 425.926 5.143 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N 544481984 DZOUMYFOGBWMCH-GXTWGEPZSA-N 426.517 5.017 30 20 IKED N#Cc1ccc(C(=O)N2CCCc3c(NC(=O)c4ccc(F)cc4)cccc32)cc1Cl 548287405 TYFMQOZFLFCGFM-UHFFFAOYSA-N 433.870 5.196 30 20 IKED C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 549690987 QEKLPEFIYUIJSW-QGZVFWFLSA-N 447.514 5.194 30 20 IKED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(c2ccc(C(F)(F)F)cc2)CC1 559003848 GMTWXJUILWLFFO-OXJNMPFZSA-N 434.506 5.355 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC([C@H](F)c4ccccc4F)CC3)cc2)ccn1 570608168 TUWBRYBJFGWZRT-DEOSSOPVSA-N 448.473 5.839 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCOc3cc(O)ccc3C2)cc1Cl 571574000 KYZNYFPKHNWXKU-NRFANRHFSA-N 433.895 5.128 30 20 IKED CCO[C@H](c1noc(-c2ccc(C3(C#N)CC3)cc2)n1)c1ccc(F)cc1C(F)(F)F 574198449 VBKLGHQGAPSFBU-SFHVURJKSA-N 431.389 5.576 30 20 IKED COc1ccc(-c2cc(C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)sc2C)cc1 577148589 YMVWMVKDVNGAGW-UHFFFAOYSA-N 442.544 5.659 30 20 IKED C=C(C)[C@H]1OCC[C@H]1c1nc(-c2cccnc2Oc2ccc(C)cc2Br)no1 583960838 WGTRPUPPMYSQDH-RDTXWAMCSA-N 442.313 5.443 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1nc2ccccc2s1 587988667 BDTDFRHPKHLXKZ-ZDUSSCGKSA-N 429.448 5.929 30 20 IKED C=C(C)COc1cccc(NC(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1 589739509 QWJNEBXNVLGATJ-LJQANCHMSA-N 429.520 5.777 30 20 IKED CC(C)CN(C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1ccc(C#N)cc1 603529829 LQMYZSISHPBDIH-UHFFFAOYSA-N 445.523 5.309 30 20 IKED CC(=O)N[C@@H](CC(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C)c1ccc(C)cc1 603532919 FWHTVRGAWNMQLG-VWLOTQADSA-N 443.522 5.115 30 20 IKED Cc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cccc1[N+](=O)[O-] 603758460 YTHLOERZMUEHTF-UHFFFAOYSA-N 446.410 5.093 30 20 IKED COc1cc([C@H](C)NC(=O)c2ccc(COc3ccccc3C#N)o2)ccc1OCC(C)C 603875555 HNCUIFTXJQHRJO-SFHVURJKSA-N 448.519 5.265 30 20 IKED CC(C)(C#N)c1ccc(N[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1 603952777 FPAKKPDRESYGNM-HSZRJFAPSA-N 425.488 5.024 30 20 IKED C=CCN(C(=O)c1cc(C2CC2)n(C)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 607774125 QFGIXYAPXPCOFT-UHFFFAOYSA-N 433.364 5.561 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@@H](C)c1c(F)cccc1F 609079261 SPXADGCLYVHXEQ-KRWDZBQOSA-N 435.474 5.949 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](c2ccccc2C)C1 609079835 LXIANDXCQGMHBH-QHCPKHFHSA-N 425.532 5.776 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(Nc2ccccc2)s1 609370893 GNGHAJUCJXYMRD-AWEZNQCLSA-N 441.607 5.407 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H](C)c1ccccc1Br 609385233 FYQMGSYFIHJUDY-HZPDHXFCSA-N 446.414 5.332 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(CCc3ccccc3)Cc3cccnc3)cc2)c1 609433689 BPZLBRAYJYXRRC-UHFFFAOYSA-N 448.526 6.022 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC[C@@H]3CCN(c4ccc(F)c(F)c4)C3)cc2)cc1 609516153 GRYNZJPENBYYEE-IBGZPJMESA-N 447.485 5.079 30 20 IKED C[C@H](CC(=O)N[C@H](C#N)c1ccccc1Br)c1ccc(C(F)(F)F)cc1 609591351 RXZPJADHCOVTEB-SJKOYZFVSA-N 425.248 5.343 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1csc(-c2ccc(Br)s2)n1 609968957 ALSXUNFAOJXJAR-UHFFFAOYSA-N 444.379 5.334 30 20 IKED N#CCc1ccc(NC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)cc1 610414333 IDHUILMJIBPIAY-UHFFFAOYSA-N 438.331 5.228 30 20 IKED COc1cc(CN2CCC3(CC2)OCc2ccccc23)ccc1OCc1cccc(C#N)c1 610738819 IFYMXFPSOUSFEY-UHFFFAOYSA-N 440.543 5.167 30 20 IKED N#Cc1c(NC(=O)c2cnc3ncc(Br)cc3c2)sc2c1CCCCCC2 614972916 AZIARAXEPMQQFK-UHFFFAOYSA-N 441.354 5.237 30 20 IKED COCCN(C(=O)NCc1ccc(C#N)c(Cl)c1)[C@@H](C)c1cccc(C(F)(F)F)c1 619769285 ZQIZRSDVNIXFMX-AWEZNQCLSA-N 439.865 5.150 30 20 IKED C=CCN(CC=C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)c(OC)c1)CC2 641889711 GWBISODCXNVPDW-LVZFUZTISA-N 440.543 5.553 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(F)cc(Br)c1 642545681 AXDAPHRUWCGMSK-IUCAKERBSA-N 436.165 5.228 30 20 IKED CCOc1cc(CN2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)ccc1OCC(F)(F)F 678298111 QKKYZIUCDJCCKU-RYUDHWBXSA-N 439.318 5.199 30 20 IKED N#C[C@H](C(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1Cl 726322700 ZQXSFERLTKUXTR-GFCCVEGCSA-N 430.118 5.580 30 20 IKED N#Cc1ccc(NC(=S)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)cc1Cl 726462539 JGVOWCOJWHSLRK-UHFFFAOYSA-N 430.936 5.678 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)/C=C\c1ccccc1Cl 727355421 RGRNFGFGDXVSHL-BENRWUELSA-N 425.897 5.120 30 20 IKED Cc1ccc2c(CNc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)cc(=O)oc2c1 728062443 OFYDZOGCQFBJRX-UHFFFAOYSA-N 430.891 5.818 30 20 IKED Cc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c(C)n1-c1ccc(C#N)cc1 728267816 FBAKYLOATRNUGN-UHFFFAOYSA-N 433.471 5.277 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNCCCc2ccccc2)cs1 729145616 VZFNOXKTMGTRFS-UHFFFAOYSA-N 446.498 5.403 30 20 IKED CCCC1C/C(=C/c2cccc(OCC#N)c2)C(=O)/C(=C/c2cccc(OCC#N)c2)C1 730148167 YWYQTQYSNTZBBA-JVBWRSBESA-N 426.516 5.738 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2c(F)cccc2s1 731060893 MRFRCVBOXSPTRE-ZDUSSCGKSA-N 428.510 5.088 30 20 IKED N#C[C@H](C(=O)CCCSc1ccc(Br)cc1)c1nc2cc(F)ccc2s1 731138501 UTXNUIUQDGJXOH-OAHLLOKOSA-N 449.370 5.947 30 20 IKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)c1nc(-c2ccc(Cl)cc2)cs1 731288198 OONOKPKQSFSZFM-ICSRJNTNSA-N 449.963 5.192 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1 732636496 UGUFVLWGEKDIEM-HSZRJFAPSA-N 433.414 5.069 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NC(=S)Nc3ccc(C#N)c(Cl)c3)s2)cc1 733754814 LQGRTNQUPAHIQN-ZDUSSCGKSA-N 442.997 5.700 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2CN(C)C2CCCCC2)c1 733842222 UCHILZCSFUGJBE-HSZRJFAPSA-N 434.584 5.454 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)c1 734277914 LZVOTGKRBWPXPK-JOCHJYFZSA-N 449.551 5.141 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1 734322426 VIUWIEJIYYTBRU-UHFFFAOYSA-N 443.503 5.737 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)cc1C#N 752194472 NVZMGXRFKLAODX-QZTJIDSGSA-N 446.532 5.425 30 20 IKED CCOC(=O)Nc1ccc(N[C@H](c2ccccc2)c2nc(-c3ccccc3)no2)cc1C#N 752799384 KVVZCCQIXSEGFR-JOCHJYFZSA-N 439.475 5.378 30 20 IKED CC(=O)N(c1nc(C=NOc2ccccc2C(F)(F)F)cs1)c1ccc(F)cc1F 754712227 GZAQEVSFGWPUQT-UHFFFAOYSA-N 441.381 5.538 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cccc(-n2cccn2)c1 760227656 ZZWTZUAFVGBKPA-UHFFFAOYSA-N 445.935 5.155 30 20 IKED O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1ccc(C(F)(F)F)nc1Cl 769314509 RBWMUPIBXSSVGH-UHFFFAOYSA-N 448.697 5.669 30 20 IKED C[C@H](C#N)Oc1ccc(CNc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(C(F)(F)F)c2)cc1 770566313 VMXGPCSYCYIEMP-BRWVUGGUSA-N 433.474 5.222 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1NC(=O)OC(C)(C)C 772554759 RYEHEFKVFXSERH-HNNXBMFYSA-N 441.940 6.095 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)cc1 772597264 RTEUEYWSNZHJCZ-VXKWHMMOSA-N 425.315 5.711 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)cc1 779020450 MCIQCWQKKLIIJU-FTJBHMTQSA-N 425.532 5.147 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 780673691 ZCKBNSOYRFOESS-CWTRNNRKSA-N 437.849 5.922 30 20 IKED COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 780677563 KZMZISBQAHGSGK-IBGZPJMESA-N 445.519 5.229 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ncc(C3CCCCC3)s2)ccc1OC 782640467 QKQTVZAEXGUVMQ-QGZVFWFLSA-N 428.558 5.202 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c1=S 784027344 TYHTUTUMCRSOPS-KRWDZBQOSA-N 445.514 5.128 30 20 IKED CN(C(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1)c1ccc(C#N)cc1 784048560 BXFQCKSYYXUMKP-UHFFFAOYSA-N 448.548 5.229 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(C(=O)Nc3cc(C#N)ccc3OC(F)F)ccc21 793391477 PONZDYRXRVWANH-UHFFFAOYSA-N 443.450 5.100 30 20 IKED CCO[C@H](C)c1nc(COC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cs1 805595666 AHTUVYJWVSHDLN-OAHLLOKOSA-N 447.988 5.116 30 20 IKED C[C@@H](Cc1cncc2ccccc12)C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 805856022 QNTLYQCOWIUXLY-RBZFPXEDSA-N 426.303 5.068 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCN(c4ccccc4Cl)C3)n2)cc1 810549759 OXXBHJREPHLEBF-ROUUACIJSA-N 432.936 5.038 30 20 IKED C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl)c1ccc(F)c(Br)c1 813059919 LPNUXIDPVBJDPU-AAEUAGOBSA-N 437.696 5.083 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1 814635865 PDTVDZQOEVNRRL-GLYQVZKVSA-N 431.561 5.677 30 20 IKED C[C@@H](CC(=O)N[C@H](CCCC#N)c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 817319222 MDZLRABLELAYHO-SIKLNZKXSA-N 427.589 5.211 30 20 IKED O=C(c1ccc(OC(F)F)c(Cl)c1)N1CCC[C@H](C(F)(F)F)[C@@H]1C(F)(F)F 883986609 YJKNVBKRHBWVIB-GZMMTYOYSA-N 425.703 5.287 30 20 IKED O=C1c2cccc3cccc(c23)C(=O)N1N=Cc1ccc(-c2cccc([N+](=O)[O-])c2)s1 912787322 GEBYGTBCCVWTCU-UHFFFAOYSA-N 427.441 5.107 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1 915086021 FKLBRKSPOTXCGY-HSZRJFAPSA-N 426.907 5.493 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc(C3CC3)nc21 915088019 YVEQCIHNBHNVAB-HSZRJFAPSA-N 435.531 5.797 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CC2CCC2)cc1F 915112069 UQIMETVJUKVLSW-FQEVSTJZSA-N 443.519 5.034 30 20 IKED Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1ccc(Br)s1 916333534 NUPVFLFBJFLFIS-UHFFFAOYSA-N 434.171 5.247 30 20 IKED N#CCOc1cccc(NC(=O)[C@H](Oc2ccccc2Br)c2ccccc2)c1 916410107 YETNGOVUGBCMLC-OAQYLSRUSA-N 437.293 5.110 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(OC3CCCC3)c(OC)c2)cc1 916948657 IXFKXFIBQUEYFG-VGSWGCGISA-N 434.536 5.491 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccnc3SC(F)F)cc2Cl)cc1 918382419 ZAPSWEGFZBOZBM-UHFFFAOYSA-N 431.851 5.966 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 918554752 ZHNURQUZJSDBAB-OAHLLOKOSA-N 441.940 5.042 30 20 IKED COCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)sc2cccc(F)c12 920141790 RBYDFAKMIGYJFF-OAHLLOKOSA-N 447.516 5.672 30 20 IKED N#C[C@H](C(=O)CCSc1ccc(Br)cc1)c1nc(-c2ccncc2)cs1 920269769 YMAQUWWTUPPOFN-MRXNPFEDSA-N 444.379 5.326 30 20 IKED Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)c[nH]3)CCC2)cc1 1787390834 VTSUSBQDTCWSKX-UHFFFAOYSA-N 444.535 5.147 30 20 IKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)C3CCCCC3)CCC2)cc1 1788649393 KPGWTZLTNQCIKQ-BUHFOSPRSA-N 436.577 5.201 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)CCC1 1790249105 VTRQSMUZTMOIAV-UHFFFAOYSA-N 448.510 5.372 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)C[C@H]4C[C@@H]5CC[C@H]4C5)cc3)CCC2)c1 1791322952 CDYPGTGKEKTNOJ-KAGYGMCKSA-N 427.548 5.132 30 20 IKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4ccc(-c5ccccc5)c(F)c4)CC3)C2)C1 1804782235 JLDWUKVDDOCZOK-UHFFFAOYSA-N 446.566 5.304 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(C)s2)[nH]n1 1819304119 ZSJLCNNWQMHSJM-TZIWHRDSSA-N 440.613 5.173 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)cnc2Cl)[nH]n1 1819553352 CSDGZZRGDOETNP-GOSISDBHSA-N 443.979 5.065 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC)cc2C)[nH]n1 1819555573 MXHDNPWWEYDQLG-NRFANRHFSA-N 438.572 5.025 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@]2(F)CCCC=C2F)CC1 1823755174 MDZWCKULPNOMIN-NLFFAJNJSA-N 436.587 5.344 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4ccccc4)CCCC3)CC2)C1 1823997755 NHIYWQKSHIGMGP-VWLOTQADSA-N 434.624 5.084 30 20 IKED C[C@@H]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1828482219 GUJANVGEEPNUHT-GMKZXUHWSA-N 444.736 5.093 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)s2)CC1 1828823884 YGFAVRLAXGPHTG-MOPGFXCFSA-N 435.033 5.403 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc(Cl)c2)CC1 1828828933 AMSJGRFLIOWMFH-PKTZIBPZSA-N 446.994 5.481 30 20 IKED CCCCC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1 1830716895 FDPSIJZTIABITM-CYFREDJKSA-N 441.591 5.147 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H](C)c2ccccc2)CC1 1831507065 MXVGJCRJXYEDLR-DFCKQENNSA-N 436.640 5.568 30 20 IKED O=C(/C(=C(\S)Nc1ccc(F)c(Cl)c1)[n+]1cccc(O)c1)c1cccc(Cl)c1 10755998 WBFQEKIHPIKOTE-UHFFFAOYSA-O 436.315 5.177 30 20 IKED Cc1occc1-c1nnc(SCC(=O)Nc2ccc(C#N)c(Cl)c2)n1-c1ccccc1 22217207 MTRWGNIIDGLNRP-UHFFFAOYSA-N 449.923 5.092 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)NCCc2ccccc2)cc1 22735486 SYYAWFZPGMRSIL-UHFFFAOYSA-O 445.652 5.623 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)nc2sccc2c1=O 36800656 GPCGRUWVJPMNSQ-MRXNPFEDSA-N 447.585 5.430 30 20 IKED C=CCN(C(=O)CSCc1coc(-c2ccccc2)n1)c1nc(-c2ccccc2)cs1 59273072 LSRGMLMRVJMUQM-UHFFFAOYSA-N 447.585 5.918 30 20 IKED C=CCc1ccc(OCC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c(OC)c1 105564963 AKZRDCGVXBFRJO-UHFFFAOYSA-N 431.492 5.085 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nc2cc(Cl)ccc2n1C 303265942 GGXMRAHCYORMPB-ZDUSSCGKSA-N 430.986 5.209 30 20 IKED CCN(Cc1nc(O)c2ccccc2n1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 303356755 OYUFUMCVUJEMBU-UHFFFAOYSA-N 439.475 5.053 30 20 IKED O=C([C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 410100904 MFDBNFQNGRTCPX-UONOGXRCSA-N 425.388 5.861 30 20 IKED Cc1nc(NC(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)sc1SCC#N 435547312 DNGHPRVXZUPXSK-UHFFFAOYSA-N 439.953 5.312 30 20 IKED C=CCc1cc(CNC(=O)Nc2ccc(-c3ncc(C(C)C)o3)cc2)cc(OC)c1OC 438508319 MHUDGUOAWCHTLG-UHFFFAOYSA-N 435.524 5.532 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 438623614 DFNUNIYQHAXORA-UYAOXDASSA-N 445.485 5.822 30 20 IKED C[C@H](Sc1ccccc1)c1ccc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 438848370 BITXDZFYYVBQHB-IBGZPJMESA-N 443.576 5.161 30 20 IKED CCCc1c(NC(=O)Nc2cccc(-c3ncc(C)o3)c2)cnn1-c1cccc(C#N)c1 439315301 AZDAJOZNOBUVAK-UHFFFAOYSA-N 426.480 5.304 30 20 IKED Cc1ccccc1-c1ccc(CN(Cc2nnc(-c3cccc(C#N)c3)o2)C(C)C)s1 441537925 YADLLAIJQMCQTE-UHFFFAOYSA-N 428.561 6.056 30 20 IKED Cc1ccc(NC(=O)NCC2CCC(C#N)CC2)cc1Oc1ncccc1Br 441784489 FFFNGVUMVXGKPI-UHFFFAOYSA-N 443.345 5.396 30 20 IKED CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)C(C)(C)C 441841909 AQVGULXSHXWCDZ-LJQANCHMSA-N 447.457 5.249 30 20 IKED CC1CCN(C(=O)c2ccc(NC(=O)c3cn(CCCC#N)c4ccccc34)cc2)CC1 444025119 ZBBDEWOQWPACLS-UHFFFAOYSA-N 428.536 5.069 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2cc(C(C)C)nc3ccccc23)c1C#N 448134355 JFGYOSZIEFCMJT-UHFFFAOYSA-N 427.533 5.390 30 20 IKED C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 460381494 RLLVCTMHQFSFHR-HXUWFJFHSA-N 441.583 5.231 30 20 IKED C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 460546474 UUTCKPYOSFMOSK-XMSQKQJNSA-N 448.567 5.135 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@](CO)(c3ccccc3)C2)cc1Cl 463491024 OYDUBHBSHGKTCU-ZEQKJWHPSA-N 445.950 5.163 30 20 IKED Cc1sc(CNC(=O)Nc2ncccc2OCCCC#N)nc1-c1ccc(Cl)cc1 466596272 CCQFQFDAMKVCDX-UHFFFAOYSA-N 441.944 5.171 30 20 IKED CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470538304 PEBGCEVWBPHQHU-DEOSSOPVSA-N 446.595 5.453 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CNc2ccc(Oc3ccc(Cl)cn3)cc2)c1C 470556142 NDIXSOKFNNESSD-UHFFFAOYSA-N 434.927 5.503 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)C3(Sc4ccccc4)CCCC3)ccc21 470764111 GAKZNLCKLQTMGT-UHFFFAOYSA-N 433.577 5.313 30 20 IKED CC(C)Cn1cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2ccccc21 470769495 OFFTWMVEMKVHDV-UHFFFAOYSA-N 428.536 5.133 30 20 IKED CCN(Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1)[C@H](C)c1ccc(C#N)cc1 470964719 AMRUWUQZEFVEBV-LJQANCHMSA-N 432.593 5.396 30 20 IKED CN(Cc1nc(C(F)(F)F)cs1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 472697691 JTWYRXBXLJREJC-UHFFFAOYSA-N 432.427 5.490 30 20 IKED C=CCC[C@H](NC(=O)N1CC[C@]2(C1)OCc1ccccc12)c1ccc(C(F)(F)F)cc1 472755415 WMBYARGNDKLETI-JTHBVZDNSA-N 430.470 5.554 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)N(CCC#N)Cc2ccccn2)c1C 473815994 FZEISGQBQLGYIM-UHFFFAOYSA-N 443.338 5.139 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N(Cc1cccnc1)C1CC1 481856485 YZNOWNLXPSLHSU-UHFFFAOYSA-N 446.576 5.225 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1OC 484936503 REDHQUKICAETDV-HSZRJFAPSA-N 428.488 5.345 30 20 IKED C=CCSc1ccccc1C(=O)Nc1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 486905682 WKJCLWLSEFZYIW-UHFFFAOYSA-N 438.574 5.326 30 20 IKED Cc1cc(NCc2nnc(-c3cccc(C#N)c3)o2)ccc1-c1ccc(Br)cc1 488130612 STHHCQGJHIOMIF-UHFFFAOYSA-N 445.320 5.958 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCOc3ccc(F)cc3C2)cc1Cl 488390007 MVSRDVSOHHCONQ-OAQYLSRUSA-N 435.886 5.561 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)nnc1-c1ccccc1C 488887293 YQJNIPQXWYZSSH-SFHVURJKSA-N 446.576 5.497 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 494162423 JLMBSKFXPLNKSO-UHFFFAOYSA-N 435.324 5.187 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccc(F)cc1)C1CCOCC1 494753067 WTJQQUPKUYFUKN-QGZVFWFLSA-N 427.545 5.433 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cc(Cl)ccc3OC[C@H]3CCOC3)c2)cc1 494778625 IBJJPMXBFSRRPU-SFHVURJKSA-N 448.906 5.672 30 20 IKED C[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)c1nc(O)c2c(-c3ccco3)csc2n1 499484174 LOTWXGPAEZSKOD-JTQLQIEISA-N 447.463 6.401 30 20 IKED C[C@@H](Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)C(=O)Nc1cccc(C#N)c1 500276616 FHRGVEBJRNLMAL-CYBMUJFWSA-N 444.388 5.343 30 20 IKED CCOCCOCc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 502686005 ISOWEBWQXMFRDP-UHFFFAOYSA-N 432.545 5.515 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21 505490839 IDJTVPIKAODGGZ-IAPPQJPRSA-N 440.591 5.324 30 20 IKED CC(C)c1c(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cnn1-c1ccc(F)cc1 505964543 CSAWJRJDKUKDDP-IBGZPJMESA-N 430.405 5.148 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N[C@@H]3CCCc4cn(C5CCCC5)nc43)s2)cc1 506277083 JBAFGHVKVALEKM-OAQYLSRUSA-N 446.580 5.116 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F 506644667 WAIJYAZVDGUXGF-APPDUMDISA-N 429.414 5.784 30 20 IKED C=CCn1c(CSc2ccccc2OC)nnc1N1CCC(c2ccsc2)CC1 508793550 IOJVWQBVUNYBTN-UHFFFAOYSA-N 426.611 5.211 30 20 IKED N#C[C@@H](C(=O)c1ccccc1Oc1cccc(Br)c1)c1nc2ccccc2o1 510586793 BRJFAGRTCPTIRD-KRWDZBQOSA-N 433.261 5.873 30 20 IKED Cc1ccccc1C1(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCOCC1 510645494 MGRNJSGJVPTWJE-UHFFFAOYSA-N 441.531 5.529 30 20 IKED Cc1cccc(N2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)c1 510872057 MELLPNHNFPRDAL-UHFFFAOYSA-N 426.520 5.322 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CC[C@H](C(F)(F)F)C4(CCC4)C3)cc2)cc1 514192258 HKCRINMFUGWVLA-NRFANRHFSA-N 428.454 5.740 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(C)cc1OCc1ccccc1 515452305 ZPCLLLKSCISXIR-UHFFFAOYSA-N 430.504 5.252 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 517456764 QGWINEKDIMKXRD-AWEZNQCLSA-N 426.929 5.213 30 20 IKED Cc1sc(CNC(=O)CCCCOc2cccc(C#N)c2)nc1-c1ccc(Cl)cc1 517668687 WWBQYCGYJUSMQK-UHFFFAOYSA-N 439.968 5.509 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1 518061222 VWDLAPSXDUTPKR-KRWDZBQOSA-N 446.388 5.725 30 20 IKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c12 518240039 RSDQLSJTELYOMW-INIZCTEOSA-N 441.560 5.590 30 20 IKED CCCC[C@H](CC)COCc1cccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 519944598 JENIGJIGISWIIS-NRFANRHFSA-N 449.599 5.040 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 519949730 CZPWKTFWDLAQOV-JOCHJYFZSA-N 434.337 5.252 30 20 IKED CCN(C)Cc1cccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 520109394 SJJGHLXIPNJHHF-UHFFFAOYSA-N 429.589 5.232 30 20 IKED Cc1cccc(C)c1NC(=O)CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 520264890 BXLPIXKDJDIIIT-UHFFFAOYSA-N 448.910 5.381 30 20 IKED N#CCCSc1ccccc1NC(=O)CN(Cc1ccco1)c1cccc(Cl)c1 521078399 YYKGTPONAFIEGJ-UHFFFAOYSA-N 425.941 5.584 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2(c3ccccc3)CCOCC2)cc1Cl 522132550 XBYCYSNELCNCFF-HSZRJFAPSA-N 445.950 5.823 30 20 IKED Cn1cnnc1-c1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 522572988 BMQZQKDODOXGQU-UHFFFAOYSA-N 429.867 5.052 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2C[C@H]3CCCN3c3ccccc32)c1 523877301 RMIXRCGXRQMBJK-HXUWFJFHSA-N 429.907 5.633 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 523909338 QPVROUOQCHUPMZ-YTTGMZPUSA-N 445.588 5.451 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2nc3ccccc3s2)s1 524285398 SSWYVBOGLALJOQ-UHFFFAOYSA-N 433.558 5.185 30 20 IKED Cc1cccc([C@@H](C)CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 525510145 ZEYHZKGENKOXTK-KRWDZBQOSA-N 447.922 5.171 30 20 IKED COc1ccccc1-c1ccc([C@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 525594072 FROQPUGCHXETKO-IBGZPJMESA-N 449.510 5.912 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ncoc3-c3ccc4c(c3)OCCO4)cc2)cc1 525657807 ASKVWHMZCUTCTL-UHFFFAOYSA-N 439.427 5.029 30 20 IKED N#Cc1cc(F)c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c(F)c1 531027756 PEOVLKMPBDWBIU-UHFFFAOYSA-N 448.376 5.027 30 20 IKED CC[C@H](C)n1ncc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C1CC1 534084657 VCQKSVOXPJRETI-KKSFZXQISA-N 432.955 6.293 30 20 IKED C[C@@H]1[C@@H](n2c(SCCCC3(C#N)CCOCC3)nc3ccccc3c2=O)CCC[C@H]1C 537309081 ZLBYIQWUCSRNPT-DXIQSLLYSA-N 439.625 5.586 30 20 IKED Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N(CCC#N)CCC(C)C)c1C 538154463 BDFCYBFFLDMIGB-UHFFFAOYSA-N 432.366 5.045 30 20 IKED C[C@H](NCc1cccc(C(=O)NCc2ccco2)c1)c1ccc(-c2cccc(C#N)c2)cc1 541085841 XDQWWJBFHVBFOB-FQEVSTJZSA-N 435.527 5.599 30 20 IKED N#C[C@@H](C(=O)c1ncccc1C(F)(F)F)c1nc(-c2ccc(Cl)cc2Cl)cs1 542648667 MITMBKOGDKWMFI-NSHDSACASA-N 442.249 6.021 30 20 IKED CC(=O)N1CCCc2cc(NC(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)ccc21 543881148 BDTJRQWEDBYUEW-SFHVURJKSA-N 438.531 5.407 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CC1 548882320 HJZVRVOOBGAJRS-UHFFFAOYSA-N 433.899 5.012 30 20 IKED Cc1ccc(Sc2ccc(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)cc2)c(C)c1 554557607 HXPXRTPTMLWLOI-UHFFFAOYSA-N 442.588 5.939 30 20 IKED CCc1ccc([C@@H](C#N)NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 564250635 HZLIBCVDQMGXHU-DNQXCXABSA-N 445.950 5.145 30 20 IKED COc1cccc(/C=C(/CC(=O)N2CCC(CC#N)CC2)c2nc3ccccc3s2)c1 567425928 JLVNOECZTPATJU-HKWRFOASSA-N 431.561 5.388 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C3CCOCC3)CC2)cc1Cl 570122323 SGDISRKUQUNDRH-QHCPKHFHSA-N 437.971 5.666 30 20 IKED N#CCCn1ncc(C(=O)Nc2cccc(-c3ccc(F)cc3Cl)n2)c1-c1ccccc1 584188990 FWDJOEWKPKKNAN-UHFFFAOYSA-N 445.885 5.571 30 20 IKED CC(C)N(Cc1cccc(F)c1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 586792255 ZECRYMFNIUIDKC-KBPBESRZSA-N 428.392 5.655 30 20 IKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 601187260 JIXCVEDLPFAXFD-BVAGGSTKSA-N 425.532 5.113 30 20 IKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 601187261 JIXCVEDLPFAXFD-JYFHCDHNSA-N 425.532 5.113 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)c2ccc(C#N)c(C)n2)cc1C 603566080 LDIDKLSRPMJJSD-UHFFFAOYSA-N 435.531 5.003 30 20 IKED CC(C)Cn1c(S[C@@H](C#N)Cc2ccccc2)nc2ccc(Br)cc2c1=O 604071520 DQZRURRRXBNRAZ-QGZVFWFLSA-N 442.382 5.042 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccccc3OCC(F)(F)F)cn2)cc1 604086568 LWRAXFXKPOXYMO-UHFFFAOYSA-N 442.397 5.008 30 20 IKED C=CCOc1c(Br)cc(CNCc2ccccc2OC2CCC2)cc1OC 605322941 UDDVUCMQQMGRIA-UHFFFAOYSA-N 432.358 5.244 30 20 IKED O=C(N[C@H]1C[C@@H]1c1c(F)cccc1Cl)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 607184882 DLBZBJYVAOIGOM-FDKVEUBTSA-N 446.794 5.544 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)cc1 608840687 DQAGGVOZEPLJJI-NOZRDPDXSA-N 443.503 5.401 30 20 IKED CCOC(=O)c1sc(NC(=O)c2csc(-c3ccccc3Cl)n2)c(C#N)c1C 608931510 VFHNAAJUESYHFW-UHFFFAOYSA-N 431.926 5.134 30 20 IKED N#Cc1ccccc1COc1cccc(CNC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)c1 609433257 OUUAHRDGFSANMA-FQEVSTJZSA-N 433.502 5.032 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)cc2)cc1 609498265 LRYLMBWBHYDMSX-UHFFFAOYSA-N 425.488 5.033 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccnn3Cc3ccccc3F)cc2)cc1 609506279 XHOCDLZOFQBXLD-UHFFFAOYSA-N 426.451 5.181 30 20 IKED CCN(C(=O)c1ccc(NC(=O)CSc2cccs2)cc1)[C@@H](C)c1ccc(C#N)cc1 609754380 QVZVSNORUVBLGW-KRWDZBQOSA-N 449.601 5.574 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCN3C(=O)CCc4ccccc43)cc2Cl)cc1 609969320 OPBVBRMGELQAMV-UHFFFAOYSA-N 445.906 5.312 30 20 IKED CN(Cc1ccccc1NC(=O)CCCCOc1cccc(C#N)c1)C(=O)c1cccs1 609981747 ZDNVYUYAFCBBDN-UHFFFAOYSA-N 447.560 5.080 30 20 IKED N#Cc1ccccc1CSCCNC(=O)c1sc(-c2ccccc2)nc1C(F)F 611181816 KJMWIUUABIMFHC-UHFFFAOYSA-N 429.517 5.283 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)N1CCC[C@](C)(C#N)C1 612376057 PYLFHWXIYAXEJZ-VBKZILBWSA-N 447.402 5.277 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)nc2sccc2c1=O 613440224 JQTJHIHRQCBOIA-CVEARBPZSA-N 449.601 5.155 30 20 IKED C=CCn1c(=O)c2ccccc2n2c(S[C@H](C)c3ccc(Cl)c(Cl)c3)nnc12 615345555 UXTYPMBCTRATHG-GFCCVEGCSA-N 431.348 5.390 30 20 IKED C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 618547203 NZADYQFUHUQMCX-TVYUQYBPSA-N 436.318 5.539 30 20 IKED C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(OC(F)F)c1 618554271 IZUXGYLOKQTORC-DLOVCJGASA-N 434.327 5.121 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCCCCc2ccccc2)c1 619568696 UYJZWXQKOCSYHF-UHFFFAOYSA-N 443.572 5.042 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(Cl)cc3)n2)nnc1-c1ccccc1F 677856782 IZYSOOPKEXXTNC-UHFFFAOYSA-N 426.904 5.871 30 20 IKED CC(C)(C)Sc1ccc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 726847428 JPBYUOJCPSNJSD-UHFFFAOYSA-N 436.581 5.331 30 20 IKED CC(C)n1ncc2cc(/C=C3\CCc4nc(-c5ccccc5)sc4C3=O)c(Cl)nc21 727266579 AJWAMYXMFIDMDO-XNTDXEJSSA-N 434.952 6.002 30 20 IKED COc1ccc(-c2nnc(S)n2N=Cc2cccc(-c3ccccc3C)c2)c(OC)c1 729635200 HNWUWUXRSPNVEA-UHFFFAOYSA-N 430.533 5.109 30 20 IKED Cc1nn(C)c2nc(Cl)c(C=NNc3ccc(Br)cc3C(F)(F)F)cc12 731487354 QNQOURGTQVGWMY-UHFFFAOYSA-N 446.658 5.157 30 20 IKED Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 731638850 NLQBTAAZFNONQK-INIZCTEOSA-N 434.517 5.484 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc(Cl)nc(N3CCCC3)c2)cc1 732935647 XFXZHIPNLFEELL-UHFFFAOYSA-N 448.929 5.189 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2cccc(Br)c2)C(C)C)c1 733851955 NVVHNMXFOWICAS-HXUWFJFHSA-N 444.373 5.250 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](O)c1ccc(OC(C)C)cc1 734933086 SWEXZYOOKPKGSO-VWLOTQADSA-N 445.519 5.301 30 20 IKED COCC[C@@H](Cc1cccc(Br)c1)C(=O)[C@H](C#N)c1nc2ccccc2s1 741426692 HPYAEWHOTFOFRJ-RDJZCZTQSA-N 443.366 5.130 30 20 IKED COc1ccc(Br)cc1/C=C\C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 741446916 CBOUCDJNPOCUTQ-WQLSENKSSA-N 449.366 5.070 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=S)N[C@H]3CCc4ccccc4C3)c2)cc1 742986815 GLSUSXPPHVIQNX-DEOSSOPVSA-N 427.573 5.176 30 20 IKED COc1cc(/C=C/C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2C)ccc1OCC#N 743055852 LOFOJXTXRMVDSM-XVNBXDOJSA-N 442.302 5.295 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ccc(Cl)nc2)cs1 743449852 GMJULTGXHRDWBR-UHFFFAOYSA-N 439.850 5.341 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(-c3noc(C4CC4)n3)c2)cc1 744032038 AZBUGHAMQVJVRU-YCRPNKLZSA-N 428.492 5.089 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)OCc2cc(Cl)ccc2Cl)CC1 744704195 RXSYJICQRXLFFG-UHFFFAOYSA-N 446.290 5.073 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2c(F)cccc2F)C2CCCC2)c1 745819539 AKQZRRWFNWTVTL-LJQANCHMSA-N 427.495 5.300 30 20 IKED COc1cccc(NC(=O)/C(=C/c2ccc(SC)c(OC)c2)C(=O)c2ccccc2)c1 746342666 YIYLONDKSAPBRI-KGENOOAVSA-N 433.529 5.331 30 20 IKED CC(C)(CO)[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 747229417 MDVHCZLHAAOLLW-RPBOFIJWSA-N 427.548 5.266 30 20 IKED O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccc(N2CCOC2=O)cc1 748583908 LKHJMBJWZLAJFS-YIXHJXPBSA-N 446.890 5.445 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 748648366 IFIUBXHTBXHUSF-DEOSSOPVSA-N 431.561 5.225 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(F)c(C)cc2F)[n+]2ccc(CCC)cc2)c1 753974746 QKPCTVXXZGLJSJ-UHFFFAOYSA-O 449.546 5.818 30 20 IKED O=C1/C(=C\c2nc(Cl)cs2)CN(Cc2ccccc2)C/C1=C\c1nc(Cl)cs1 759071108 FEZXZBBPTGQAJB-GEMWTQJRSA-N 448.400 5.458 30 20 IKED COc1ccc(Br)c(CC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c1 762033277 ZDLKLJCXUWFYFR-QGZVFWFLSA-N 441.350 5.309 30 20 IKED COc1ccc(-c2noc([C@@H](C)Nc3ccc(OCc4cccc(C#N)c4)cc3)n2)cc1 768500508 RJEAZNVXWBKQTM-QGZVFWFLSA-N 426.476 5.369 30 20 IKED COc1ccccc1[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)OC(C)C 771115254 PZYKJAARXAWUGP-RSXGOPAZSA-N 443.547 5.638 30 20 IKED C=C(C)[C@H](NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1)c1ccc(F)c(F)c1 772321863 QTUJOCWORSCSOJ-KRWDZBQOSA-N 428.357 5.123 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CC=C(c4ccc(Cl)nc4)CC3)cn2)c1 774024589 SSSYLSYJXFIEJR-UHFFFAOYSA-N 431.883 5.115 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CCC(c3ccc(Cl)cc3)CC2)c1=S 774637535 PXJAMMLDJQCZKF-UHFFFAOYSA-N 425.989 5.153 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(CSc2ccccc2)cc1 776570969 IYBVKDMIVHFQNZ-UHFFFAOYSA-N 436.920 5.299 30 20 IKED CCN(CC)[C@@H](CNC(=O)Nc1ccccc1O[C@H](C)C#N)c1ccc(C(F)(F)F)cc1 780675863 HTONXLWFAQSMRD-UZLBHIALSA-N 448.489 5.201 30 20 IKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc(OC)c1C(C)C 781448588 OSHZGUHBVMDVTB-CQSZACIVSA-N 435.307 5.095 30 20 IKED C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(F)cc1OCC#N 783590117 SQCSRNONZJTURH-NSHDSACASA-N 429.801 5.229 30 20 IKED CC(C)c1ccc(C(=O)[C@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 787050488 DNLMLDDHNIFAPH-SJCJKPOMSA-N 448.306 5.225 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 787120555 HYINKCHZXMYFDQ-UHFFFAOYSA-N 449.269 5.046 30 20 IKED C[C@]12CCN(C(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)C[C@@H]1C2(Cl)Cl 791190856 DJDDMYUSWKDBPP-ICSRJNTNSA-N 435.738 5.660 30 20 IKED CC(C)[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccnc1 797943550 SKPCNAOHDHBMBH-VQIMIIECSA-N 430.360 6.128 30 20 IKED COc1cc(/C=C\C(=O)c2cccc(Br)c2)cc(OC)c1OCC(F)F 809152405 QENVZRLPEJVTCO-SREVYHEPSA-N 427.241 5.006 30 20 IKED COc1cc(CN[C@@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)ccc1C#N 810175076 FKBJIYNACNJDJM-HXUWFJFHSA-N 437.540 5.306 30 20 IKED Cc1ccccc1[C@H](O)C1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 810281430 LRXRNSHCODUSHP-RUZDIDTESA-N 442.519 5.032 30 20 IKED Cc1ccc(-c2n[nH]cc2C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1 812395736 GMBDOMSOTJUMQO-UHFFFAOYSA-N 429.336 5.121 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(Cl)c(F)cc1Cl 815503587 VGABBSDRSNBTMW-LLVKDONJSA-N 441.311 5.180 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc(OC(F)F)cc2)cc1Cl 916057607 USZUAARCNGPKMT-FQEVSTJZSA-N 426.850 5.778 30 20 IKED O=C(COc1ccc(C(=O)/C=C\c2csc(-c3ccccc3)n2)cc1)Nc1ccccc1 916128332 WAMFBHITLZVPDC-SSZFMOIBSA-N 440.524 5.724 30 20 IKED Cc1sc2ncn(N=Cc3cc(Cl)cc(Cl)c3O)c(=O)c2c1-c1ccccc1 916284265 UEGKMWMOFPRJNR-UHFFFAOYSA-N 430.316 5.328 30 20 IKED COc1ccccc1Nc1nc(Cl)c(C=Nn2c(S)nnc2-c2cccs2)s1 916544912 XOWGSJWONBCSSY-UHFFFAOYSA-N 448.986 5.040 30 20 IKED N#C[C@H](C(=O)COc1ccc(Cl)cc1C1CCCCC1)C(=O)Nc1ccccc1Cl 916911830 OBXVCYBMDQPGRH-GOSISDBHSA-N 445.346 5.767 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1 916917227 BGEOWUYTVFGKRA-NRFANRHFSA-N 443.503 5.077 30 20 IKED CC(C)c1ccc(OC2CCN(CC(=O)[C@@H](C#N)c3nc4ccccc4s3)CC2)cc1 917136571 GTKIYQGRWPSGSP-OAQYLSRUSA-N 433.577 5.139 30 20 IKED C#CCN(Cn1nc(-c2ccncc2)n(-c2ccccc2)c1=S)[C@H]1CCc2ccccc21 917456887 NDTYDQUFIVXWOL-DEOSSOPVSA-N 437.572 5.045 30 20 IKED Cc1ccc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(Cl)cc2Cl)c1 917613101 KIXDEOVZZAIQBB-UHFFFAOYSA-O 441.363 5.784 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 919825744 UZVGHIUVCXCBEP-UHFFFAOYSA-N 443.503 5.879 30 20 IKED CCOc1ccc(CCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 920108264 DOHBUGHYOMNLME-JOCHJYFZSA-N 428.488 5.158 30 20 IKED CC(C)(C)c1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 920143302 VNKSUZMNQXQHGX-QFIPXVFZSA-N 443.572 6.015 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cnc3Cl)CCC2)cc1 1789456236 MTXKFDZNYKQCMM-LJQANCHMSA-N 441.934 5.390 30 20 IKED Cc1cc2cc(C(=O)NC3(c4ccc(NC(=O)c5ccc(C#N)cc5)cc4)CCC3)ccc2[nH]1 1790290148 HKMMUZDIEBQVDQ-UHFFFAOYSA-N 448.526 5.410 30 20 IKED CC1=CC[C@H](C(=O)NC2(c3ccc(NC(=O)Cc4ccc(F)c(C#N)c4)cc3)CCC2)CC1 1790520069 BTVXHYRNQMLUFM-FQEVSTJZSA-N 445.538 5.120 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(F)s4)CCC3)cc2)cc1 1790703515 PZXCDKQMSFJQSU-UHFFFAOYSA-N 433.508 5.015 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Br)cc1C)C2 1792573469 UIEOTTKZWXAFFF-REPLKXPHSA-N 447.417 5.002 30 20 IKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1sc3ccccc3c1Cl)C2 1793052534 RIKFPCMOZJDNFI-BCDXTJNWSA-N 443.012 5.575 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c(-c3ccc(C)cc3)c1)C2 1798332924 JOHIMNWLXFQXSC-UEQSERJNSA-N 431.580 5.010 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cccc(C)c2)n[nH]1 1815562160 HLRXGVLBJLLVIB-FYYLOGMGSA-N 434.584 5.111 30 20 IKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC2CCCC2)[nH]n1 1819384516 QNUANZFJUPLFAN-NRFANRHFSA-N 442.680 5.033 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)c2cccs2)[nH]n1 1819557047 UVJJRXNLILNQFU-AEFFLSMTSA-N 428.602 5.259 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc(F)cc(F)c2)CC1 1823752574 HBEKPOHDPLGIPO-QHCPKHFHSA-N 446.582 5.119 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc(F)c2)CC1 1829068691 KVJSQKWBEUHXNT-QFIPXVFZSA-N 432.555 5.191 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)ccc2F)CC1 1829070442 IZRVWQHZQCPTMR-QHCPKHFHSA-N 444.591 5.060 30 20 IKED COc1ccc(-n2c(S[C@H](C)C#N)nnc2-c2cc(Cl)ccc2OC)cc1Cl 8759898 AUGOVCXHBWNGDP-LLVKDONJSA-N 435.336 5.262 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2cc(C)cc(C)c2)cc1 10172641 WCPNJXCIWIIPRG-UHFFFAOYSA-O 431.625 6.328 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(CC)c2)[n+]2ccc3c(c2)CCCC3)cc1 14872228 LTUKXTDUGWQKAB-UHFFFAOYSA-O 443.636 6.029 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(Cn3cccn3)cc2)cc1 16302177 NBAVJVBCPCNWDU-UHFFFAOYSA-N 438.556 5.025 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3cccs3)o2)nnc1-c1ccccc1OC 17709159 BAQHFRSALGXBCN-CYBMUJFWSA-N 425.539 5.105 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1/C(O)=N/c1nnc(C(F)(F)F)s1 29291680 GSTIQKBRDZGWOR-UHFFFAOYSA-N 438.378 5.644 30 20 IKED Cc1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cnn1-c1ccccc1F 32290306 BEFYFSOCEYRYSO-UHFFFAOYSA-N 426.451 5.023 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 63394118 QHLKUWRAPRFKLF-UHFFFAOYSA-N 444.922 5.684 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 78665537 SAGXYNBUBLQFIV-SFHVURJKSA-N 427.529 5.637 30 20 IKED C[C@H](C#N)Oc1ccc(CNCc2ccccc2-c2ccc(CN3CCCC3)cc2)cc1 237610719 KWELXJILXUGGFN-JOCHJYFZSA-N 425.576 5.530 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@@H](Cc3cccnc3)c3cccc(Cl)c3)ccc21 426036071 MDZNKBAZALPZOZ-DEOSSOPVSA-N 444.966 5.714 30 20 IKED CN(C(=O)c1cccc(SCC#N)c1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 430693380 NNMRKIXPOQWUNI-UHFFFAOYSA-N 443.450 5.785 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCOC2(CCSCC2)C1 434212628 VRSAWWPYDVZROS-IBGZPJMESA-N 437.565 5.225 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1nccn1CCCc1ccccc1 435131045 AQSDSFMURBWJIA-LJQANCHMSA-N 433.581 5.089 30 20 IKED COc1ccc(CNC(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1F 435811862 YLWYHCIOXGFXMU-HNNXBMFYSA-N 438.343 5.346 30 20 IKED CCN(C(=O)c1cc(C#N)cs1)[C@@H](c1ccc(Br)cc1)c1cccnc1 437580478 RXIFWPHIVAFJNZ-IBGZPJMESA-N 426.339 5.029 30 20 IKED CC(C)c1nccn1Cc1cccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 437734553 IGYLYYJOJWYZPA-RPWUZVMVSA-N 427.552 5.358 30 20 IKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 437802630 RMRDMCJYNTVLBL-UKILVPOCSA-N 438.531 5.551 30 20 IKED CN(Cc1nccn1C(F)F)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F 438376291 JDOYONZAJWAVCK-UHFFFAOYSA-N 444.376 5.318 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)Nc2csc3ccccc23)cc1 440489816 OIJOTJGGWSHXTJ-UHFFFAOYSA-N 443.484 5.151 30 20 IKED CCc1nnc(-c2cccc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)c2)o1 440609995 LGPYTGZGVSRJNY-UHFFFAOYSA-N 428.423 5.354 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1Cl 442371748 BTLGCAKRCQUGAD-FAGZOMQFSA-N 435.955 5.019 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(c3c(C#N)nnc4ccccc34)C2)n1 447673067 WHRSIJBHKGOGBG-MRXNPFEDSA-N 427.533 5.018 30 20 IKED C[C@@H](CC#N)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCCCO1 461865295 JNODBWJQIPKVAS-GJZGRUSLSA-N 429.977 5.121 30 20 IKED COc1ccccc1[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1Cl 462247715 OLWDERDPZUSPHE-HSZRJFAPSA-N 440.330 5.191 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@](CO)(Cc4ccccc4)C3)cc2)cc1 463516364 HFKQCSLBHJHJEO-HHHXNRCGSA-N 441.531 5.200 30 20 IKED CC(C)CO[C@H](C)c1noc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)n1 467610381 JFOORYWCOBWONW-QGZVFWFLSA-N 449.511 5.131 30 20 IKED Cc1c(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)ccc(C(F)(F)F)c1F 468009184 JGOSPQFLAWLYHQ-UHFFFAOYSA-N 447.350 5.305 30 20 IKED N#Cc1cc(Br)ccc1OCc1nnc(-c2ccc(Cl)cc2Cl)o1 469297650 XDYRKHFPGWUUSC-UHFFFAOYSA-N 425.069 5.257 30 20 IKED N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCCc3cc(-c4ccccc4)ccc32)cc1 472539757 RWHSCOYYFDABKK-UHFFFAOYSA-N 444.556 5.024 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 473822481 ONJJEVQQBDZJIQ-AOMKIAJQSA-N 436.968 6.040 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C(=O)OC)c1ccccc1C 474938805 QOEHETCPNSOQIM-HXUWFJFHSA-N 443.956 5.011 30 20 IKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3ccc(C(C)(C)C#N)cc3)c2)c1 474956038 SFOMTWNDUHVCNF-UHFFFAOYSA-N 426.520 5.370 30 20 IKED N#C[C@@H](C(=O)c1cccc(Oc2ccc(Cl)cc2)c1)c1nc(-c2ccncc2)cs1 480966555 CKSZEKYBUVVDCX-FQEVSTJZSA-N 431.904 6.141 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(NC(=O)c4ccncc4)c3)c2)cc1 482695541 SFZFLISIIJMELO-UHFFFAOYSA-N 434.455 5.250 30 20 IKED C=CCC[C@@H](C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1ccccc1 488868755 KCVSRPPFIUFKFM-XMMPIXPASA-N 425.594 5.623 30 20 IKED CCN(C(=O)CSCc1ccc(C#N)cc1)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 496452633 WWHRTGCGLZIELN-MHZLTWQESA-N 443.616 5.948 30 20 IKED N#Cc1ccccc1COc1cccc(CN2CCC3(CC2)OCCc2ccsc23)c1 497100366 SMERPGFAHCOPAW-UHFFFAOYSA-N 430.573 5.263 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 499324450 PNHZAYRLOFSOSJ-UHFFFAOYSA-N 430.382 5.115 30 20 IKED CCCCN(C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)[C@@H](CC)c1ccccc1 501495383 OGIOZJXZADGPTI-QFIPXVFZSA-N 446.576 5.400 30 20 IKED CC(C)(C)c1noc(-c2ccccc2C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)n1 505321461 VAMUKSSJAWZODP-INIZCTEOSA-N 429.307 5.336 30 20 IKED Cc1cc(C(=O)N2CCC(C)(C#N)CC2)ccc1N[C@H](C)c1cc(Cl)ccc1Cl 507839696 DTLHYFIIJFSAFU-MRXNPFEDSA-N 430.379 6.241 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1cc(C#N)ccc1OC(C)C 509603205 KPDKGHCTKHVLDR-UHFFFAOYSA-N 441.940 5.595 30 20 IKED Cc1ccc(C)n1-c1nc(CC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cs1 514448476 HLAOYFSEVPXARA-UHFFFAOYSA-N 442.544 5.183 30 20 IKED C=CCn1c(SCC(=O)N(CC2CC2)C(C)C)nnc1-c1ccc(Cl)cc1Cl 514452415 ZQMCJWCVTUBCMB-UHFFFAOYSA-N 439.412 5.177 30 20 IKED Cc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c(C)n1C(C)C 516129163 DILQMWQAKUQBJW-UHFFFAOYSA-N 446.498 5.876 30 20 IKED N#CCCCOc1cccc(CNC[C@@H](c2ccccc2)N2CCc3sccc3C2)c1 517537294 MKQWZUBHAUKPRH-VWLOTQADSA-N 431.605 5.320 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)[C@@H](C)Oc1ccccc1C#N 518041691 WPQSERPQPMHWPF-UKRRQHHQSA-N 425.941 5.288 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c2c(C(C)C)noc2n1 519947220 CRJTZNZYZIUBHP-CYBMUJFWSA-N 438.459 5.546 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cccc(Cn3cccn3)c2)cc1 520368545 XEFOTAYCPDJCEW-UHFFFAOYSA-N 438.556 5.025 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1 521720601 UJURULAYXRSZGR-AWEZNQCLSA-N 426.542 5.341 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 521839884 MJIJYHIXSDGATH-UHFFFAOYSA-N 432.568 5.120 30 20 IKED COc1ccc(-n2c(S[C@H](C#N)C3CCCCC3)nnc2-c2ccccc2OC)cc1 522332688 GFEKMWCIPSMPCV-JOCHJYFZSA-N 434.565 5.516 30 20 IKED Cc1csc(CCCCNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)n1 522635006 UPDJNFXAZFDJPW-UHFFFAOYSA-N 425.941 5.522 30 20 IKED C[C@@H](Nc1ccc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc1)c1ccccc1 523655137 ZPOXARGOBIBZCO-LJQANCHMSA-N 447.560 5.189 30 20 IKED COc1cc(CSc2nnc(-c3cccs3)o2)ccc1OCc1cccc(C#N)c1 523880652 PABDHOJGDBKXAA-UHFFFAOYSA-N 435.530 5.550 30 20 IKED CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 525024963 LBPCZRGAWOAZFJ-UHFFFAOYSA-N 427.504 5.265 30 20 IKED N#CC1(NC(=O)c2cccc(CSc3cc(Cl)cc(Cl)c3)c2)CCSCC1 535200128 IDWJVRYEBTZNCX-UHFFFAOYSA-N 437.417 5.805 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)cc1 537926800 KDOWYVNOGBXBSU-CPJSRVTESA-N 443.503 5.258 30 20 IKED CCOc1ccc(-n2c(SCCCC3(C#N)CCOCC3)nnc2-c2ccco2)cc1 539708955 RTIBVHMQDZJCPH-UHFFFAOYSA-N 438.553 5.119 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)cc1F 540105191 AEIBPGJFXDLUGZ-NTKDMRAZSA-N 431.467 5.389 30 20 IKED C[C@@H](Sc1cccc(Cl)c1C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 542102277 LFRLCKDUFHBXEH-SECBINFHSA-N 429.807 5.258 30 20 IKED CCOc1cccc2cc([C@@H](C)NCC(=O)Nc3ccccc3S[C@@H](C)CC#N)oc12 543516655 KAQXNNLMVHIJMY-DLBZAZTESA-N 437.565 5.515 30 20 IKED C[C@H](N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-c2cccc(C#N)c2)cc1 543874794 QDWLWEROPAUWPZ-DLBZAZTESA-N 439.475 5.595 30 20 IKED C=C(C)Cn1c(C2CCC2)nnc1N1CCC(c2nc(-c3ccccc3OC)cs2)CC1 549273422 DCEORVCYULRRMQ-UHFFFAOYSA-N 449.624 5.638 30 20 IKED C=CCC(F)(F)c1nc(CC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)no1 551415954 UBBLOAQTVOMZPX-UHFFFAOYSA-N 445.278 5.349 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccccc3COc3ccccc3)CC2)c(F)c1 554422896 SCSLEVFWAYZBSV-UHFFFAOYSA-N 445.494 5.352 30 20 IKED N#Cc1ccc(-c2nnc(N3CC[C@H](c4ccc(F)cc4)C3)n2Cc2cccs2)cc1 555441914 XFBJSERCNGIKKH-FQEVSTJZSA-N 429.524 5.060 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 564399206 BITQIGZYSBCICG-UHFFFAOYSA-N 447.951 5.698 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CC[C@](F)(c4ccccc4F)C3)c2)c1 579135926 WUBOKAWGALTDLW-RUZDIDTESA-N 446.457 5.052 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccc(-c3ccccc3)c(C)n2)nnc1-c1ccco1 583745719 LQNIASBHIKQBPO-UHFFFAOYSA-N 445.548 5.215 30 20 IKED CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)c2cccs2)cc1 585693066 BFTUIXSAJRKVRX-RHGYRFJNSA-N 445.588 5.216 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)COc3cc(Cl)ccc3Cl)c2)c1 603995381 IYFBISYQVABYLH-UHFFFAOYSA-N 440.286 5.135 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccn(-c3cccc(F)c3)n2)cc1Cl 604430446 HMNPRZTZXCFWKA-OAQYLSRUSA-N 430.870 5.573 30 20 IKED CCCN(Cc1ccc(C)cc1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604464909 WRCNYQMPRSFLNW-UHFFFAOYSA-N 427.504 5.036 30 20 IKED O=C(Nc1ccc(F)cc1OCC(F)(F)F)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F 607308535 GYZSHKPFQUJPKJ-STQMWFEESA-N 437.311 5.408 30 20 IKED N#C[C@H](C(=O)c1cccc(-c2cscn2)c1)c1nc2cc(C(F)(F)F)ccc2s1 608552888 LAULIEYRPVFLOQ-CQSZACIVSA-N 429.448 5.929 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1cccc(Br)c1 609061062 QIOPODPTNUURCW-UHFFFAOYSA-N 435.321 5.389 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)COc1cccc(F)c1 609079156 NBULGZPAUSUINE-GOSISDBHSA-N 433.483 5.174 30 20 IKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 609098398 DVNGPPWFDCUQCK-RUZDIDTESA-N 429.495 5.192 30 20 IKED COc1ccccc1[C@H]1CCCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 609281430 GKJOYCZHTZKACT-JOCHJYFZSA-N 428.492 5.513 30 20 IKED CC(C)NC(=O)Nc1ccccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 609730019 KVMTWIXGWJSIJN-UHFFFAOYSA-N 448.910 5.786 30 20 IKED C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609957537 HOYYKBQBXVAFTL-QGZVFWFLSA-N 447.922 5.032 30 20 IKED N#Cc1c(NC(=O)c2csc(-c3ccc(Br)s3)n2)sc2c1CCC2 609965898 RFEZGKWSWGUOSP-UHFFFAOYSA-N 436.381 5.308 30 20 IKED Cc1ccccc1CC1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 610631269 HDZIGUWZXNHRCI-UHFFFAOYSA-N 425.532 5.461 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(OCc4ccccc4F)CC3)c2)cc1 611261452 OYORBATYSNVBKI-UHFFFAOYSA-N 445.494 5.703 30 20 IKED C=CCn1c(SCC(=O)N[C@H](CC)c2ccccc2)nnc1-c1ccc(Cl)cc1 642032070 SUBSLENTAJWKML-LJQANCHMSA-N 426.973 5.144 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC2(CC1)OCc1ccccc12 670197371 FQYVAWHORWDOMB-LJQANCHMSA-N 448.542 5.159 30 20 IKED CN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F 681501456 ATNWARSYKQAAML-OAHLLOKOSA-N 426.307 5.429 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 684800954 RGUXUJRHBYFJIP-PCVQNBPASA-N 446.794 5.544 30 20 IKED COC(=O)Nc1cc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1F 727597325 XXLHQWIFEJGXBS-IUCAKERBSA-N 445.335 5.035 30 20 IKED COc1ccc(-c2n[nH]cc2/C=C\C(=O)c2ccc(OC(F)F)cc2OC(F)F)cc1 728157978 TWIAHSPIOJCIRB-WTKPLQERSA-N 436.361 5.184 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1 729648587 TZQGXEMHVHKFOO-IBGZPJMESA-N 439.581 5.483 30 20 IKED Cc1nc(/C=C\c2cccc(OCC#N)c2)sc1C(=O)/C=C\c1cccc(OCC#N)c1 730149285 FJVAICYUDMFGLG-WGEIWTTOSA-N 441.512 5.323 30 20 IKED CSCC(=O)Nc1ccc(OC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1 730213607 URDSKDJRRAUQSC-UHFFFAOYSA-N 436.464 5.010 30 20 IKED C[C@H](OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nc(O)c2ccccc2n1 730375964 POCWLYUVPGZZAE-AWEZNQCLSA-N 429.407 5.056 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2c(s1)CCCCC2 731059897 CRWCKIZQWHHLCJ-HNNXBMFYSA-N 428.579 5.207 30 20 IKED N#Cc1ccc(NC(=S)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)cc1Cl 731492979 RVLPVHBHRYERBW-UHFFFAOYSA-N 442.331 5.321 30 20 IKED C#CCN(C(=S)Nc1ccc(C)c(C)c1)[C@@H]1CCOc2ccc(Br)cc21 733087689 WWTVZACOWGUMCX-LJQANCHMSA-N 429.383 5.222 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)ccc1OC 733230267 NKVHCJMFVSNJRL-BWKNWUBXSA-N 446.572 5.526 30 20 IKED CCSc1ccc(Cl)cc1NC(=O)NCc1ccc(OC)c(O[C@H](C#N)CC)c1 733634075 WOBCOQUSDWWDAC-INIZCTEOSA-N 433.961 5.463 30 20 IKED Cc1oc(-c2ccccc2F)nc1C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 737502211 SGKQNZDEXYTLDF-GHMZBOCLSA-N 438.343 5.428 30 20 IKED CC(C)(C)OC(=O)NC1CCC(NCc2cccc(OCc3ccccc3C#N)c2)CC1 740017829 CHSFDPGUZITFDB-UHFFFAOYSA-N 435.568 5.063 30 20 IKED CS[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1 740534373 HAULNYOANUCFHD-KXBFYZLASA-N 433.385 6.397 30 20 IKED C#CCOc1ccc(C(=O)N(CC)[C@H](c2ccc(Br)cc2)c2cccnc2)cc1 741561485 JIMPQGHIQAEHNL-HSZRJFAPSA-N 449.348 5.108 30 20 IKED O=C(/C=C\c1ccc(Br)cc1Cl)c1ccc(S(=O)(=O)CC(F)F)cc1 742435663 ZYKXDKHCLDYXQX-YWEYNIOJSA-N 449.700 5.037 30 20 IKED CN1CCC[C@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)[C@@H]1c1cccs1 743092697 AZHRQRKJADPUTQ-GZGNHOFSSA-N 444.604 5.608 30 20 IKED CC(C)=CC(=O)NCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 744035371 QVDIJBAMZZPUCU-HXUWFJFHSA-N 449.963 5.536 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3cc(-c4ccccc4)nc4ccccc34)o2)c1 744476106 YCQMMYUUBIJVFP-UHFFFAOYSA-N 432.439 5.180 30 20 IKED N#C[C@H]1C(CN2CCC(c3cccc4ccccc34)CC2)=CC(=O)n2c1nc1ccccc12 746866841 RECVNQPXWFYYRQ-DEOSSOPVSA-N 432.527 5.256 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1Br 747108208 FRHBRQDFOZSMFO-GFCCVEGCSA-N 426.097 5.026 30 20 IKED O=C(C[C@H]1SC(=Nc2cccc(F)c2)NC1=O)Nc1cc(Cl)c(Cl)cc1Cl 748285503 WREFGHKXZPFYDO-CQSZACIVSA-N 446.718 5.034 30 20 IKED N#CCC[C@H](NC(=O)C(=O)Nc1ccccc1SCc1ccccc1)c1ccccc1 748801578 VOAPSONZXJGOQU-NRFANRHFSA-N 429.545 5.079 30 20 IKED O=C1C[C@H](C(=O)O[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c2ccc(F)cc2N1 750213045 FSMTUQNCNUXJDZ-BLLLJJGKSA-N 435.295 5.117 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CC(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12 756516308 SFFSBFKXEOXJHU-FQEVSTJZSA-N 443.503 5.077 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 761665185 MOGUEXQZEPRUBO-IBGZPJMESA-N 432.293 5.153 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2c(Cl)ccc(Cl)c2Cl)ccc1OC 761703234 QZYABEBWNYNAQB-LBPRGKRZSA-N 427.715 5.266 30 20 IKED C[C@H](NC(=S)Nc1ccccc1C#N)c1nc(-c2ccc(Br)cc2)cs1 763162996 PQACHNYSWSTNAF-LBPRGKRZSA-N 443.395 5.492 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2cc(Br)ccc2c1 764211474 KWZLCPGJTJCRTC-UHFFFAOYSA-N 438.325 5.154 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl 764300601 AKPQMUOJNZAXNV-UHFFFAOYSA-N 439.305 5.519 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Nc3ccn(Cc4ccccn4)n3)cc2Cl)cc1 765253948 WREGDKYWUPLEAB-UHFFFAOYSA-N 444.882 5.288 30 20 IKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCF)c1 767732983 LYQCSVZVTPFUKC-FQEVSTJZSA-N 445.535 5.071 30 20 IKED CCCN(C(=O)c1ccccc1NC(=O)c1ccc(COc2ccccc2C#N)o1)C(C)C 771519186 BYANHWIKPGHQQT-UHFFFAOYSA-N 445.519 5.243 30 20 IKED COc1cc(F)c(C(=O)/C=C\c2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cc1OC 777467801 QSZSBXZGZOHLCV-YVMONPNESA-N 434.389 5.003 30 20 IKED Cc1cc(C2CCN(C(=O)Nc3ccccc3O[C@@H](C)C#N)CC2)ccc1Br 779449880 QYNCEXDNXHVHPW-INIZCTEOSA-N 442.357 5.460 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 781463480 QOEMXBBXQAOHGL-BDJLRTHQSA-N 429.345 5.004 30 20 IKED Cc1ccc(CN(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C(C)C)s1 783901310 STVTVGFUSJNCFZ-QHCPKHFHSA-N 431.561 5.088 30 20 IKED N#CCCn1cc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2Cl)c(-c2ccncc2)n1 788342673 ATSQBNZGKYUKHX-DJWKRKHSSA-N 431.710 5.715 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(Cc2ccccc2)c1Cl 795198142 XOEVVQPKCZPKFI-UHFFFAOYSA-N 443.894 5.205 30 20 IKED O=C([C@H](F)c1ccc(C(F)(F)F)cc1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 801685581 WLLBJEOSSZOXLL-SMDDNHRTSA-N 440.384 5.598 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1c(C)nn(Cc2ccc(F)cc2)c1Cl 804559163 RZONILSQTJVBBA-UHFFFAOYSA-N 443.954 5.028 30 20 IKED C#CCC(CC#C)C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 807222967 WWRBRNICFXVSMG-CQSZACIVSA-N 429.282 5.107 30 20 IKED CCSc1cccc(Br)c1NC(=O)NCc1cccc(O[C@H](C#N)CC)c1 810308762 JEECJESUVAIPRL-HNNXBMFYSA-N 448.386 5.564 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1Cc2ccc(Br)cc2C1 812180983 FCNGLVIFNWMBIW-UHFFFAOYSA-N 448.368 5.209 30 20 IKED C[C@@H](N[C@H](C)c1ccc(N2CCCOC2=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 815615055 GXLZXWDVFPWRCO-WOJBJXKFSA-N 425.532 5.984 30 20 IKED CC(C)(C)Oc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)nc1 815907775 KBEMWFRZDOQGAW-IBGZPJMESA-N 429.476 5.012 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCC(=O)c3ccc4c(c3)OCCCO4)n2)cc1 915100754 ZAHJGVWULMELDA-LJQANCHMSA-N 446.528 5.119 30 20 IKED CC(C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1Cl 916208952 BELSFBPJNYKHIQ-SFHVURJKSA-N 433.936 5.095 30 20 IKED COc1cccc(-c2nc(C=Nn3cnnc3SCc3ccc(Cl)cc3)cs2)c1 916546014 AWVBVNLBVYSSQG-UHFFFAOYSA-N 441.969 5.238 30 20 IKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12 916916535 VLRCWJZTHYWBKP-KRWDZBQOSA-N 433.533 5.156 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2sc(C)nc2-c2cccs2)cc1 916947566 NCMUERRRFLPYBB-KSSFIOAISA-N 437.590 5.584 30 20 IKED C=CCc1ccc(OCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(OC)c1 917043783 OPELKKHZGHMGRK-OAHLLOKOSA-N 446.450 5.307 30 20 IKED CC(C)(C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccc(Br)cc1 917046811 PXZJFOZQLSONHS-CQSZACIVSA-N 433.758 5.866 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cc3cc(Cl)ccc3o2)cs1 917559416 IRUXIDFCJVOLMG-VMPITWQZSA-N 440.883 6.263 30 20 IKED C[C@@H](OC(=O)c1ccccc1OCC#N)c1nc2cc(Cl)ccc2n1Cc1ccccc1 920634510 WCHKRZWBBOGVNV-QGZVFWFLSA-N 445.906 5.558 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C)nc3)cc2)CCC1 1786838663 AJPUETUCLISJPJ-DEOSSOPVSA-N 431.580 5.225 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccoc3C(F)(F)F)cc2)CCC1 1788724842 PAZNPXOMOQOIHD-GOSISDBHSA-N 446.469 5.815 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cn(C)cc3C(F)(F)F)cc2)CCC1 1788826465 LMFODDJEMCMMMQ-OAHLLOKOSA-N 433.474 5.004 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ccc4scnc4c3)cc2)CCC1)C(F)(F)F 1789341361 MWOUZXYZYNQKJH-UHFFFAOYSA-N 445.466 5.163 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4ccc(F)cc34)CCC2)cc1 1789453812 GHRTWMLBUYEBSO-HXUWFJFHSA-N 446.526 5.218 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)c3ccc(C)cc3)CCC2)cc1 1790569602 GHMZLWBFODVXCC-UXHICEINSA-N 435.568 5.034 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)C[C@H]4C[C@@H]5CC[C@H]4C5)CCC3)cc2)cc1 1790708532 IMZCYYKAWWKONA-AKIFATBCSA-N 441.575 5.327 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)no3)CCC2)cc1 1791250594 WFRFEOPSSLWPGB-SFHVURJKSA-N 429.520 5.302 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C3(c4ccccc4)CCC3)cc2)CCC1 1791525410 UXYLRFPLJMCTSP-FQEVSTJZSA-N 447.579 5.043 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](c1ccc(Cl)cc1)C(C)C 1801552114 APOSTBAJIHDFFT-KEJFTWOCSA-N 443.031 5.486 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc4ccccc4n3C)CC2)C1 1804858552 IQRYSKZRLZKQNJ-UHFFFAOYSA-N 435.612 5.016 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2sccc2Cl)[C@H]1c1cccnc1 1810501670 CHLLWVKQYPTANT-MJGOQNOKSA-N 446.016 5.109 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)c2ccc(Cl)cc2)n[nH]1 1814660355 KHEJONDOCVJUPW-TWOQFEAHSA-N 428.964 5.071 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3[nH]ccc3s2)[nH]n1 1819307575 WQPYBUFDTKDJKZ-CRAIPNDOSA-N 437.569 5.027 30 20 IKED CC(C)=CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824057336 MQSNYDPKZARRJJ-XMMPIXPASA-N 441.015 5.058 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](F)c2ccccc2)CC1 1824139318 KFSILVRYYSEZGT-RPWUZVMVSA-N 426.576 5.085 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nccc3occc23)CC1 1827300551 VLEHWTORYWPMDM-NRFANRHFSA-N 437.584 5.054 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(F)c2C)CC1 1828824136 KPOBONWOYPTNRV-URXFXBBRSA-N 426.576 5.136 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccccc2Cl)CC1 1831369505 CCWWTGKTTBNVPI-CVDCTZTESA-N 431.020 5.105 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3cccnc3)cc2)CC1 1831374394 PLTCSKXWSCQBDD-QFQXNSOFSA-N 445.607 5.194 30 20 IKED C[C@H](OC(=O)c1sc2cc(Cl)ccc2c1Cl)C(=O)NC1(C#N)CCCCC1 11397275 VSGMLVIOJURZAR-NSHDSACASA-N 425.337 5.096 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1ccccc1 16823220 NQVNMBDTLGBIDC-HNNXBMFYSA-N 442.972 5.221 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Cl)nnc1-c1ccc(Cl)cc1 16862727 MFRZOHFEXCENDN-CYBMUJFWSA-N 433.364 5.557 30 20 IKED C=CCn1c(SCC(=O)N(CC)c2nc3ccccc3s2)nnc1-c1cccc(C)c1 20067902 GAULSRCWDXTHSH-UHFFFAOYSA-N 449.605 5.194 30 20 IKED C=CCn1c(SCc2nnc(CC)o2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 24830116 XANVLAPKRDMUTF-OAHLLOKOSA-N 443.642 5.581 30 20 IKED C=CCn1c(SCc2c(C)nn(-c3ccccc3)c2Cl)nnc1-c1ccoc1C 27129262 FCRRWEPGGHXASG-UHFFFAOYSA-N 425.945 5.472 30 20 IKED CC[C@@H](C)c1ccc([C@@H](NC(=O)c2cc(C#N)c(SC)nc2O)c2cccs2)cc1 31892882 MDVCNYMCLQDCEP-JLTOFOAXSA-N 437.590 5.475 30 20 IKED C[C@@H](Nc1ccc(CC#N)cc1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 98081359 QAOZUXSEDMNWPZ-OPAMFIHVSA-N 432.911 5.177 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)cc1 111184183 VTRGPFJPMQUKHQ-UHFFFAOYSA-N 445.494 5.346 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)c2cccs2)nnc1-c1ccc(C(C)(C)C)cc1 255934572 SZXWTICUUJVRJD-MRXNPFEDSA-N 440.638 5.460 30 20 IKED CC1(C)OB(c2ccc3cc(-c4c5ccccc5cc5ccccc45)ccc3c2)OC1(C)C 261508216 QMUMEKLUDDWLNN-UHFFFAOYSA-N 430.356 7.112 30 20 IKED CC(C)CC(=O)Nc1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1 303670242 YKYFGRRUXGLBCH-UHFFFAOYSA-N 427.504 5.374 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1c(C)c(C(C)(C)C)nn1-c1ccccc1 410005561 YWIHQAFBAJDDQI-UHFFFAOYSA-N 446.551 5.156 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1-c1ccccc1 428319683 QCZCRPKMRRTLMC-UHFFFAOYSA-N 438.516 5.092 30 20 IKED Cc1ccsc1[C@H](CO)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 429070347 BVVXTGUEYOAMAZ-IBGZPJMESA-N 441.940 5.016 30 20 IKED CCCc1c(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cnn1-c1ccc(F)cc1 429606674 BWGXMQXWWMHDNY-GGAORHGYSA-N 431.515 5.268 30 20 IKED Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)CCCC(=O)Nc1ccccc1C#N 432712729 BANDNTGHELIOSI-QFIPXVFZSA-N 431.561 5.137 30 20 IKED CC[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 437894110 FWBZWIPMPRRTNZ-XMMPIXPASA-N 427.548 5.817 30 20 IKED Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 438066115 ZACAOSPTVMWCBG-UNMCSNQZSA-N 437.609 5.502 30 20 IKED CCOCCOc1c(Cl)cccc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 438090335 AJRWJDOJFNTNAZ-RXVVDRJESA-N 427.932 5.059 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NC[C@@H]3CCC[C@@H](C(F)(F)F)C3)c2)c1 438619791 DVJRHXBOQXLTQM-SJLPKXTDSA-N 444.457 5.301 30 20 IKED C[C@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 439599360 UOSZHUHHTISEEP-SFHVURJKSA-N 428.467 5.237 30 20 IKED C=CCN(C(=O)[C@@H]1C[C@@H]1c1sccc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 439854311 JHTUQDRHCLHQCZ-DLBZAZTESA-N 425.535 5.411 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccc(CC(=O)N(C)C)cc1)c1ccc(C(F)(F)F)cc1 442202180 WZKPLPKHJVSZGM-FQEVSTJZSA-N 433.474 5.165 30 20 IKED N#CCCCn1cc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c2ccccc21 443929759 SPQWOIVPNZDXRH-UHFFFAOYSA-N 438.535 5.182 30 20 IKED COc1ccc(OC)c(-c2csc(NC(=O)c3cn(CCCC#N)c4ccccc34)n2)c1 444172875 SHLARHQNJBIERW-UHFFFAOYSA-N 446.532 5.338 30 20 IKED Fc1cccc(-c2cnc(CN[C@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)o2)c1 444736588 AFUPMVGPJQBOAC-MRXNPFEDSA-N 432.339 6.283 30 20 IKED COc1ccc([C@@H](NC(=O)c2c(F)cc(C#N)cc2F)c2ccccc2Cl)c(OC)c1 446029548 SRQWRHAAKBOJRC-QFIPXVFZSA-N 442.849 5.026 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N(C[C@@H]1CCOC1)C1CC1 460373188 CZIINKPRKBGGMB-NRFANRHFSA-N 444.579 5.106 30 20 IKED C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC[C@@H]1c1csc(C)n1 460545178 NGRLGQSDQUFBRA-GOSISDBHSA-N 433.503 5.646 30 20 IKED CCCNc1ccc(C#N)cc1NC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 461703853 QKZQDNSNRNVXQJ-UHFFFAOYSA-N 429.480 5.354 30 20 IKED C[C@H](C(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2)c1cccc(C#N)c1 463088782 UHFVPBIGVYULFJ-HNNXBMFYSA-N 426.545 5.784 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@H](CSc3ccccc3)C2)cc1C 464356813 RCDFEFUCBVTFFT-OAQYLSRUSA-N 444.604 5.335 30 20 IKED COc1ccc(C2CCN(C(=O)c3cccc(OCc4ccccc4C#N)c3)CC2)cc1 465378803 SDHQZNFWXLKNFW-UHFFFAOYSA-N 426.516 5.166 30 20 IKED CC[C@H](NC(=O)NCc1ccc(F)cc1C(F)(F)F)c1nc(C(F)(F)F)cs1 465561010 DHXMRWSEQZQKMJ-NSHDSACASA-N 429.361 5.270 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)Nc1ncccc1OCCCC#N)C1CC1 466611127 SPMZFMYMJOKLRX-HNNXBMFYSA-N 432.446 5.540 30 20 IKED CN(CCC1CCOCC1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 467467997 NNBSTGVNOATBBG-UHFFFAOYSA-N 427.932 5.071 30 20 IKED C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 469961013 DNAQKLXDMAGTLO-MRXNPFEDSA-N 444.362 5.166 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)CSc3cc(Cl)ccc3Cl)ccc21 469973575 PJQHFHRXGDSVLC-UHFFFAOYSA-N 448.375 5.307 30 20 IKED COc1ccc([C@@H](NCc2ccc(C#N)cc2Br)c2ccc(F)cc2)cc1 481092333 MMIOPPUUYZWZMI-QFIPXVFZSA-N 425.301 5.348 30 20 IKED CN(Cc1ccc(F)c(F)c1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 482348765 GNUSTAWLWXNVIV-OAHLLOKOSA-N 426.307 5.429 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3cccc(C(=O)N4CCCCC4)c3)o2)cc1 489743510 KJKPCGKTOHZBEQ-UHFFFAOYSA-N 435.549 5.220 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3CCOC4(CCCCC4)C3)c2)cc1 494238066 OTJZHGNJTJCJBU-QHCPKHFHSA-N 433.552 5.335 30 20 IKED CC(C)c1nc([C@@H]2CCCCCN2C(=O)Nc2cccc(C#Cc3ccccn3)c2)no1 501372632 GHQYMZDNHCYKFE-QFIPXVFZSA-N 429.524 5.137 30 20 IKED COCc1c(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)oc2ccccc12 505320020 IXAQYRNTZWYXNP-HSZRJFAPSA-N 426.472 5.153 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1nc2ccccc2o1 505458381 UFKJMOYWOPNMCP-KRWDZBQOSA-N 438.418 5.538 30 20 IKED CC(C)c1ccc(Sc2ccc(NC(=O)C(=O)NCc3ccc(C#N)cc3)cc2)cc1 506550960 VRHPIMVCNUTQFG-UHFFFAOYSA-N 429.545 5.088 30 20 IKED C=CCn1c(-c2cccnc2)nnc1N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 508491529 GPCGQLRYOCRLIH-UHFFFAOYSA-N 444.366 5.019 30 20 IKED C=CCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 508740175 OSDCSMABNUSYIX-PXNSSMCTSA-N 426.611 5.093 30 20 IKED Cc1nc(-c2ccccc2)c(NC(=O)c2cccc(COc3ccccc3C#N)c2)s1 513285221 WOXDKMIBDZSGSU-UHFFFAOYSA-N 425.513 5.822 30 20 IKED CCOc1cccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 515701119 MXQIQPJNNUMZLB-UHFFFAOYSA-N 431.439 5.275 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CCCSc1ccc(Br)cc1 518662796 QQXCKACYVCQDNL-OAHLLOKOSA-N 449.439 6.212 30 20 IKED N#Cc1ccc(CNc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)c(F)c1 518702112 XYOGYSCQYMGSBT-UHFFFAOYSA-N 431.364 5.720 30 20 IKED C=CCN(C(=O)c1ccc(-n2cccc2)c(F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 518906981 FLEBNRFJVNURNX-UHFFFAOYSA-N 448.479 5.481 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1cccc(Oc2ccccc2)c1 520936125 SSNBQEPHXPCNHC-GOSISDBHSA-N 445.544 5.128 30 20 IKED Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 522321539 YIQGABLHZBGSTH-UHFFFAOYSA-N 427.504 5.293 30 20 IKED CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1 522527464 JOOQMQJUDZRDBA-WJOKGBTCSA-N 436.533 5.030 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1C 523508035 CCNGDSIVEPSMEW-UHFFFAOYSA-N 446.469 5.503 30 20 IKED COc1ccc(OC(F)F)c(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 523878565 ZFCQAINFYJAYGN-UHFFFAOYSA-N 444.821 5.866 30 20 IKED COc1ccc(Nc2ccc([N+](=O)[O-])cc2C#N)cc1OCc1ccc2ccccc2n1 524412281 XYZCOTSRDIJMEF-UHFFFAOYSA-N 426.432 5.346 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(Cc3ccccc3)no2)nc2cc(Cl)ccc2c1=O 525046255 RMCPPIFZVMDKCP-AWEZNQCLSA-N 438.940 5.063 30 20 IKED CCOC(=O)c1ccccc1N(CC)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 525147312 OBONNENFLCOHIZ-UHFFFAOYSA-N 428.488 5.388 30 20 IKED CN1CC[C@H](CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 534229072 CSSUBJQWSUORFC-IIBYNOLFSA-N 428.939 5.095 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)c3ccc(C(=O)N(C)c4ccccc4)cc3)c2C#N)C1 535328000 ZNPKZQPDRSAONY-INIZCTEOSA-N 429.545 5.273 30 20 IKED O=C(CCC(=O)c1ccc(F)cc1F)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 540549185 RDIKMPUGZUBIQO-QGZVFWFLSA-N 439.302 5.366 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nn1C1CCCCC1 540684116 KXVXQUFFQADUDJ-HNNXBMFYSA-N 426.492 5.589 30 20 IKED N#CC1(c2ccc(C(=O)Nc3nc(-c4sccc4Br)cs3)cc2)CC1 540735767 DPSIOAIKIPVTGX-UHFFFAOYSA-N 430.352 5.442 30 20 IKED Cc1ccc(C(=O)N2CCC(CC#N)CC2)cc1OCc1csc(Br)c1 542906290 UJCJLENYIVOAEX-UHFFFAOYSA-N 433.371 5.164 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 543357471 VKOVEBVXULTOHV-GOSISDBHSA-N 430.508 5.401 30 20 IKED CN1[C@H]2CC[C@H]1CC([C@@H](NCc1cccc(OCCCC#N)c1)c1ccc(Cl)cc1)C2 549268449 GJVRRXDEOARSJX-GNKBHMEESA-N 438.015 5.726 30 20 IKED CCN(C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccc(C#N)c(Cl)c1 549763060 BLDMFHXKGROECC-UHFFFAOYSA-N 445.950 5.270 30 20 IKED CO[C@@H](c1ccc(F)cc1)c1noc(C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)n1 554812849 ISYGXPQXLGRMOR-FQEVSTJZSA-N 440.906 5.028 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1nc2ccccc2n1C(F)F 556325459 NOGVLSJQSKLKTQ-MRXNPFEDSA-N 446.571 5.091 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 556463381 WAJUNUWXJGASQU-UNMCSNQZSA-N 425.960 5.094 30 20 IKED COc1cc(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)ccc1Br 563920720 PVWNBAVNASYFQN-UHFFFAOYSA-N 439.269 5.161 30 20 IKED C=CCn1c(-c2cccc(OC)c2OC)nnc1N(Cc1ccco1)Cc1cccs1 565567776 WMHQODJRHVKUPJ-UHFFFAOYSA-N 436.537 5.010 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2sc3c(c2-c2nc4ccccc4[nH]2)CCCC3)c1 576829585 FSLXZWVYGMKMSM-UHFFFAOYSA-N 432.936 5.948 30 20 IKED O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)c1cc(OC(F)F)cc(OC(F)F)c1 582153447 UDNZGAXDDQXGHG-ZDUSSCGKSA-N 439.327 5.040 30 20 IKED N#C[C@H](C(=O)c1ccc(CNC(=O)C2CCCC2)cc1)c1nc(-c2ccccc2)cs1 590208113 NPXKFCCLBUVACU-OAQYLSRUSA-N 429.545 5.107 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2 603736975 JBHDJYWUEDMHDK-UHFFFAOYSA-N 448.563 5.316 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)CSCc3coc(-c4ccccc4)n3)n2)cc1 603749964 NQEYJFFIRUWAAJ-UHFFFAOYSA-N 432.530 5.209 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1 604003144 FZXAZYYZINIOSP-UHFFFAOYSA-N 442.906 5.423 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@@H]3c3cccc(F)c3)s2)cc1 604084748 HPENZKXYAFGHFY-GOSISDBHSA-N 439.541 5.210 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1Cl 604137372 GGNZOCSOCDEQAP-JEBQKTDQSA-N 449.982 5.409 30 20 IKED N#C[C@H](C(=O)c1cc(Br)sc1Br)c1nc2ccccc2s1 604929626 ISIGCFPUFPKQHI-MRVPVSSYSA-N 442.157 5.373 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(OC(F)F)c4ncccc34)o2)cc1 609060344 ZTHJOWSPEZPHSH-UHFFFAOYSA-N 435.386 5.132 30 20 IKED CC[C@H](C)NC(=O)c1cccc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 609434237 HSIAMBQHFLTDKD-SFHVURJKSA-N 442.519 5.201 30 20 IKED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N(Cc1ccco1)c1ccc(Cl)cc1 609986636 OZHWHWKUAGJLAO-UHFFFAOYSA-N 440.830 5.219 30 20 IKED CC(C)(C#N)c1ccccc1CSc1nc(O)c2cnn(-c3cccc(Cl)c3)c2n1 610861314 PEAMKJOBBVMVQV-UHFFFAOYSA-N 435.940 5.268 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)c(Cl)c1 611093815 GDVIJIAWCYYJNM-UHFFFAOYSA-N 431.323 5.525 30 20 IKED C[C@H](NC(=O)N[C@@H](Cc1nccn1C)c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 611846863 AYNLYOMZLGPXMF-FNZWTVRRSA-N 449.558 5.303 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 613407015 CPYADEGLDLPVBA-LLVKDONJSA-N 446.290 6.196 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(SC)cc2)nnc1-c1ccc(F)cc1 619099385 YCLSYERYWFRBON-CQSZACIVSA-N 428.558 5.111 30 20 IKED N#C[C@H](C(=O)c1ccc(Sc2ccccc2Cl)nn1)c1nc2cc(F)ccc2s1 676103944 NFOGCFMDIRFZEK-GFCCVEGCSA-N 440.912 5.520 30 20 IKED C=C(C)COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)nc3)C2=O)ccc1OC 727178596 XLPDXGQARUPTCK-MFOYZWKCSA-N 432.954 5.104 30 20 IKED O=C(O)C(=O)/C(=C/c1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc2ccccc2n1 728156613 KKXCURUXCZPIBN-QGOAFFKASA-N 437.373 5.708 30 20 IKED C#Cc1cccc(N(Cc2ccco2)C(=O)Cc2ccc(OCc3c(C)noc3C)cc2)c1 728185317 KERITOYHVWYIEG-UHFFFAOYSA-N 440.499 5.221 30 20 IKED Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 728687989 RSBQHPXPWBAOLY-SANMLTNESA-N 426.564 5.246 30 20 IKED N#Cc1ccc(NC(=S)NCC2CCN(Cc3ccccc3Cl)CC2)cc1Cl 730157897 ZZRCDAAZTYKOTA-UHFFFAOYSA-N 433.408 5.064 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C(C)(C)c1ccccc1Cl 731076791 BAEDKXWNZOEXHE-OAHLLOKOSA-N 430.957 5.194 30 20 IKED Cc1cc[n+](/C(C(O)=C2C=CC(=NC(N)=O)C=C2)=C(/S)Nc2cccc(C(C)C)c2)cc1 732179578 OIYPJWLPHSYEAW-UHFFFAOYSA-O 447.584 5.032 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N(C)Cc2cccc(Cl)c2Cl)ccc1OC 733656961 RCOLLXMDFQWFTJ-MRXNPFEDSA-N 436.339 5.025 30 20 IKED CCOc1cc(/C=C2/Cc3cc(F)ccc3C2=O)ccc1OCC(=O)Nc1ccccc1 734304989 DCXYEBIQNXEYMZ-UNOMPAQXSA-N 431.463 5.064 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1 737025640 BLDFNNQJQLJJOH-UHFFFAOYSA-N 436.556 5.368 30 20 IKED C[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccc(OC(F)F)cc1 740026467 XYJOGNBKDNUJCO-CQSZACIVSA-N 427.476 5.449 30 20 IKED N#C[C@@H](C(=O)CCCc1nc(C2CC2)no1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 740534069 CAKPRXFDHHNLLA-XHBUVVKHSA-N 436.581 5.070 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1 741064478 QNAQTBKQHOBVJI-UHFFFAOYSA-N 440.503 5.057 30 20 IKED CCCCCCCC(=O)N1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 741703535 CBTZJQVKBNYPET-UHFFFAOYSA-N 430.486 5.182 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CC[C@@H](c3ccccc3)[C@H](C)C2)c1=S 742165943 MQELGBUBIZJUPG-TZIWHRDSSA-N 434.609 5.359 30 20 IKED C[C@H](c1ccc(Cl)cc1)N(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C1CC1 743097872 YASRINHMHNSYCK-IQGLISFBSA-N 429.951 6.753 30 20 IKED Cc1nn(-c2ccc(F)cc2)c(C)c1C=NNc1nc(C(F)(F)F)nc2ccccc12 744761339 GTMBNSGKHNKUQQ-UHFFFAOYSA-N 428.393 5.036 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@H]3C[C@@H](O)c3ccc(F)cc3)c2)c1 746251639 FFJSWSWGCDEANK-AZGAKELHSA-N 444.506 5.005 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 747201337 SNSKMQICGJMMMS-HXUWFJFHSA-N 437.430 5.629 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccccc2)o1 748912540 PBHKCHAVWXXHQC-MRXNPFEDSA-N 436.489 5.262 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 754463275 AUZURWGRWXMVGB-OAHLLOKOSA-N 425.510 5.420 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(OC(F)F)c(F)c1 754700223 HNPOROGYVFCFAV-UHFFFAOYSA-N 429.423 5.056 30 20 IKED C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 755607927 AOHCQYVUFHPDSW-KUCQQTCKSA-N 431.395 5.503 30 20 IKED C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 755641762 WMBJVJAZHCAPDB-HMVFGEFZSA-N 425.416 5.276 30 20 IKED Cc1sc([C@H](C)NC(=O)Cc2cccc(OCC#N)c2)nc1-c1ccc(Cl)cc1 760394655 GAONPLMCLMEWQF-AWEZNQCLSA-N 425.941 5.094 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 760802050 ZBVHYATYOIFWKK-UHFFFAOYSA-N 431.345 5.186 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccn(-c2ccccc2)n1 766687319 AUBILUCZKFJTCT-UHFFFAOYSA-N 445.935 5.155 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C(C)=C\c1c(Cl)cccc1Cl 766842571 ZHGUILWQHOUYJT-RXXLQFRUSA-N 429.347 5.869 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(CC[C@H](O)c3ccccc3)cc2)c2ccccc21 768025085 QEJQPAMHPZTJBZ-MHZLTWQESA-N 437.543 5.864 30 20 IKED CS(=O)(=O)c1ccc(C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F 771857354 DHXANMBOZCUFFD-DUXPYHPUSA-N 440.336 5.163 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)NC1(c2noc(C3CCCC3)n2)CCCCCC1 780671068 QHKHPASSQPMBLV-QGZVFWFLSA-N 437.544 5.389 30 20 IKED CC[C@H](C)Oc1cccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 783391876 AQHMKFLZIMRQCJ-MHECFPHRSA-N 427.504 5.097 30 20 IKED C=CCCN(C)C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 786668776 AKAGXNITHTZBPC-UHFFFAOYSA-N 427.620 5.604 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)OC(C)(C)C)C1 789457063 RBDKXNFGGNDBEN-KSEOMHKRSA-N 441.616 5.696 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1nccc2ccccc12 792095615 VZWOZOMPTZYYIK-QUCCMNQESA-N 438.314 5.023 30 20 IKED O=C1/C(=C/c2cccc(OCc3ccccc3Cl)c2)CCc2c1cnn2-c1ncccn1 792899396 IBSVCLSWEPIHRZ-QGOAFFKASA-N 442.906 5.107 30 20 IKED CC(C)(C)OC(=O)N1CCCc2c(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)cccc21 797571220 NFLWPCYZFCBVIL-QGZVFWFLSA-N 439.581 5.618 30 20 IKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CC(F)(F)F)cc1 799214196 BWFGJJZNYKEBFP-GOSISDBHSA-N 449.498 5.333 30 20 IKED Cc1ccc(C2=NO[C@@H](CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)C2)cc1C 801611121 DCOIEOVEJQTXIF-JWQCQUIFSA-N 438.531 5.274 30 20 IKED CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 801612809 QUDQHNXQKUIOOH-NVQXNPDNSA-N 448.567 5.111 30 20 IKED CN(C(=O)c1cc(=O)c2ccc(F)cc2o1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 808720186 PIXMOBRBMKQWPG-QGZVFWFLSA-N 447.306 5.327 30 20 IKED N#C[C@H]1C(CN[C@H](c2c(Cl)cccc2Cl)C2CC2)=CC(=O)n2c1nc1ccccc12 810023301 IHVGJFAXWWIVTO-NYHFZMIOSA-N 437.330 5.271 30 20 IKED C=CCNC(=S)/C(=C(/O)c1ccc(F)c(Cl)c1)[n+]1cc(O)cc(-c2ccccc2)c1 811722522 LHEILIPOBNVSDB-UHFFFAOYSA-O 441.935 5.126 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1cc(C(F)(F)F)ccn1 813216682 WUOGBOUWCWHFPV-NSHDSACASA-N 427.860 5.358 30 20 IKED CC(=NNc1ccc([N+](=O)[O-])cn1)c1sc(-c2ccccc2Br)nc1C 814805948 MCPBJTHDHMYHBM-UHFFFAOYSA-N 432.303 5.020 30 20 IKED CC(C)n1ncc2cc(C=NNC(=S)Nc3ccccc3C(F)(F)F)c(Cl)nc21 873970914 HLJCBOVZNYIQCD-UHFFFAOYSA-N 440.882 5.005 30 20 IKED Clc1ccc(CNN=Cc2cn(Cc3ccccc3)nc2-c2cccnc2)c(Cl)c1 914696259 AGSLSDMMZZUUCX-UHFFFAOYSA-N 436.346 5.424 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 916073802 ICAVDWPUQAZKCJ-UHFFFAOYSA-N 443.894 5.205 30 20 IKED FC(F)SCc1ccc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)o1 916278695 QGMUDWGDFQQVTM-UHFFFAOYSA-N 430.505 5.242 30 20 IKED N#C[C@H](C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)c1nc2ccccc2s1 916847925 VZQFWCGDKIPDQV-HXUWFJFHSA-N 439.515 6.393 30 20 IKED N#C[C@H](C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1cccc2ccccc12 916915966 LYOCFISEGSHVJO-VEGGFIAOSA-N 442.824 5.873 30 20 IKED Cc1nc(Cc2ccccc2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916931404 KDZMQGIKGCFBEI-HNNXBMFYSA-N 444.343 5.310 30 20 IKED CC(C)(C)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] 916945586 XREGYPBXTDOVKC-HNNXBMFYSA-N 434.279 5.160 30 20 IKED Cc1ccc(N2C[C@H](C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)cc1 916977313 PUCDABRQAMLPDX-APWZRJJASA-N 435.936 5.001 30 20 IKED COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC 917044299 SHIFYRMSRBNNGK-ZRFDWSJLSA-N 432.423 5.222 30 20 IKED N#C[C@@H](C(=O)C1=Cc2cc(Br)ccc2OC1)c1nc2cc(Cl)ccc2s1 917046214 HVAZHHLGYYJCHP-AWEZNQCLSA-N 445.725 5.364 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(C=NNc2nc(-c3ccccc3)cs2)cs1 917542547 GDOALEWCANVVOD-UHFFFAOYSA-N 437.525 5.536 30 20 IKED Cc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(C)c1 918472297 WFOQPWFWOPBKSH-NBGIEHNGSA-N 425.532 5.117 30 20 IKED O=C(/C=C/c1ccccc1OC(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918686160 VBWKCQMUSXDCCW-MTJJXUSZSA-N 435.286 5.188 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3ccccc3OC(F)(F)F)n2)cc1 920139407 TYEAJOZVRDDWKG-NLZINVLXSA-N 444.434 5.607 30 20 IKED Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 920141490 PCYDWJWMYAYHNL-LAUBAEHRSA-N 429.545 5.757 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)c(F)cc4F)CCC3)cc2)c1 1790258839 QCVRVZHUKATDHE-UHFFFAOYSA-N 449.432 5.037 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(F)c4F)CCC3)cc2)cc1 1790707986 ZFUJQAYZSUCKMW-UHFFFAOYSA-N 445.469 5.092 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccco4)CCC3)cc2)c1 1792123259 QFXQXMYORZDEFV-LJQANCHMSA-N 441.531 5.287 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)/C(C)=C/c2cccs2)[C@@H]1c1cccnc1 1802433099 CELCFYCFQCLHFH-DMJRHOSBSA-N 449.620 5.021 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2)[nH]n1 1819305148 PAKUGNPYNFZCIM-CTNGQTDRSA-N 440.975 5.066 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2C)[nH]n1 1821929162 VQGYKTQJVSUZMX-IFXJQAMLSA-N 448.489 5.255 30 20 IKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCCCC(C)(C)C)n[nH]1 1822113462 BXPOSEWXKNYQOE-NRFANRHFSA-N 446.636 5.381 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)nc2ccccc2c1=O 15231019 BXMIXUNPEPMTPU-HSZRJFAPSA-N 441.556 5.363 30 20 IKED CN/C(S)=C(/C(=O)c1ccc(Cl)c(Cl)c1)[n+]1ccc(Cc2ccccc2)cc1 22733998 HTAFHEVSAKLLSM-UHFFFAOYSA-O 430.380 5.030 30 20 IKED C[C@@H](Sc1nccn1-c1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 24320252 PLTJAVRJRAASFO-GFCCVEGCSA-N 428.970 5.067 30 20 IKED Cc1noc(C)c1CSc1ncccc1C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 104846525 YSWJCCSTMMCZKZ-UHFFFAOYSA-N 441.512 5.737 30 20 IKED COc1cc([C@H](C)NCc2cccc(OCc3ccccc3C#N)c2)cc(OC)c1OC 237397237 DBPCVGQJKFQIKL-SFHVURJKSA-N 432.520 5.014 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3ccco3)C2=O)c1 255491534 VFXVNEBFPBXEGZ-JOCHJYFZSA-N 447.560 5.365 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)CCSc3ccccc3Cl)s2)cc1 255949985 RYSSNESOENMVGI-UHFFFAOYSA-N 447.010 5.476 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCCCOC3CCCC3)cc2Cl)c1 303210573 QYFPJWRTLZEQBU-UHFFFAOYSA-N 427.932 5.261 30 20 IKED Cc1ccc(C)c(-n2ccnc2SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 303288086 LVPDMVQKIJLXGT-KRWDZBQOSA-N 436.606 5.472 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCCC[C@@H]1c1cc2ccccc2[nH]1 303424225 ZENOEJHGKYEUPV-WZONZLPQSA-N 432.593 5.585 30 20 IKED N#Cc1cccc(-c2nnc(CN[C@@H](CC3CC3)c3cc(F)cc(Br)c3)o2)c1 425912222 CVOHQAIOOJURFC-IBGZPJMESA-N 441.304 5.141 30 20 IKED Cc1ccccc1[C@@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)C(C)(C)C 431647905 GDPINDHVLOUGRQ-HSZRJFAPSA-N 432.568 5.014 30 20 IKED CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 431977995 RWVBCYCZAPCKPZ-XMMPIXPASA-N 443.551 5.307 30 20 IKED N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3cccc(CSCc4ccccc4)c3)C2)nc1 433163818 PQYMDSDSJZGHJV-QHCPKHFHSA-N 444.560 5.072 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC(OCC3CCCC3)CC2)c1 434148081 MOKABGIBFWIIDE-UHFFFAOYSA-N 438.955 5.815 30 20 IKED Cc1[nH]c2ccccc2c1C1=CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 435053440 QOMOGTPQBIQANJ-GOSISDBHSA-N 444.604 5.598 30 20 IKED N#Cc1cc(F)ccc1NC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 435161274 QZNYQKJSOTUTLW-UHFFFAOYSA-N 447.445 5.071 30 20 IKED C[C@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H](OC1CCOCC1)c1ccccc1 437760772 FJMGIMNOYNBIDE-BTYIYWSLSA-N 447.457 5.024 30 20 IKED C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)[C@@H](OC1CCOCC1)c1ccccc1 437815157 LXJYKBMBRUZLRH-NFQMXDRXSA-N 440.543 5.280 30 20 IKED C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 437890738 RBLCCCQJYHKPIQ-BXKMTCNYSA-N 442.494 5.565 30 20 IKED C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 438670116 VIIYQLPINQXQQO-UHFFFAOYSA-N 429.501 5.105 30 20 IKED Cc1sc(Br)c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1C 440444281 PEYDSESNZQWMOG-UHFFFAOYSA-N 432.368 5.299 30 20 IKED N#Cc1ccc(CN(Cc2ncc(-c3cccs3)o2)c2ccc3nc(O)[nH]c3c2)cc1 440725172 BCQRTITXBLXJCL-UHFFFAOYSA-N 427.489 5.063 30 20 IKED CC(C)(C)c1nsc(Oc2ccc(NC(=O)NCC3CCC(C#N)CC3)cc2Cl)n1 441782038 XIQSYAVTHOWFDY-UHFFFAOYSA-N 447.992 5.733 30 20 IKED CN(CC(C)(C)C)C(=O)c1cccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c1 442682444 JLRZNLJAJODKJW-KRWDZBQOSA-N 438.478 5.040 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2sc(Cc3ccccc3)nc2C)c1C#N 445563366 BZDIGAMPXZBMRS-UHFFFAOYSA-N 445.573 5.074 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3cc(Cl)ccc3OC[C@H]3CCCCO3)on2)c1 447605676 JTHBSPLGCFXEJZ-GOSISDBHSA-N 437.883 5.067 30 20 IKED Cc1cc(C)c(Br)c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1 460692395 UBYOBOSPJVADCF-UHFFFAOYSA-N 436.309 5.686 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)cc1C 461189077 FDSFGSUPNOZNRJ-URXFXBBRSA-N 426.564 5.346 30 20 IKED CC(C)CCN(CCC#N)c1nnc(-c2cccc3cccnc23)n1Cc1cccs1 461316644 LYKVRYGSJPEFQL-UHFFFAOYSA-N 430.581 5.369 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(-c2cscn2)c1 463747239 IDOVZJSUIKEOMK-UHFFFAOYSA-N 433.480 6.087 30 20 IKED N#CCSCCCSc1nnc(COc2ccccc2Cl)n1-c1ccccc1 466620806 WAQTVEZYZDTFGJ-UHFFFAOYSA-N 430.986 5.239 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(F)c(C3CC3)c2)c1 467816409 FUGHTYSSVAPBGZ-UHFFFAOYSA-N 445.519 5.558 30 20 IKED N#CCCn1ncc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)c1-c1ccccc1 467836143 GIYLGSLTXSVVGL-IYARVYRRSA-N 439.346 5.447 30 20 IKED COc1cc(-c2ccccc2)ccc1CNc1ccc2c(c1)CCC(=O)N2CCCC#N 469035391 SANMXPQEBKJCER-UHFFFAOYSA-N 425.532 5.557 30 20 IKED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1nc(Cc2ccc(Cl)cc2)no1 469322150 ZIOQHRDHEWAFED-MRXNPFEDSA-N 449.942 5.070 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1 476892979 QZSYKDYCYQAMMN-KRWDZBQOSA-N 428.376 5.930 30 20 IKED C=C(C)[C@H](NC(=O)N1CCC(n2c(CC)nc3ccccc32)CC1)c1ccc(F)c(F)c1 477743750 PKJVCWFOULTCJE-DEOSSOPVSA-N 438.522 5.541 30 20 IKED C=C(C)Cn1c(SCC(=O)NC(c2ccccc2)c2ccccc2)nnc1-c1ccco1 479873852 QFBQJWKZGIRFFY-UHFFFAOYSA-N 444.560 5.112 30 20 IKED N#CCCCOc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)c1 480026067 NEVFSTIEQVHUQZ-IZZNHLLZSA-N 426.516 5.690 30 20 IKED COc1ccc(CNC2(c3cc(C(F)(F)F)ccc3Cl)CC2)cc1OCCCC#N 480478460 NGAKROHWTMRECE-UHFFFAOYSA-N 438.877 5.829 30 20 IKED COc1cccc([C@@H]2CN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CCO2)c1 482919517 HMMWNDLTJBDZPI-VWLOTQADSA-N 443.503 5.273 30 20 IKED CN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 482996307 FCFHHDRCOCVSPO-QHCPKHFHSA-N 432.886 5.622 30 20 IKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 485708260 MKAFSDBYKGCNGX-SNVBAGLBSA-N 436.327 5.021 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)s2)cc1 487421808 VTYRWPOGZULRJJ-UHFFFAOYSA-N 444.541 5.172 30 20 IKED N#CCCC[C@@H](NC(=O)CCc1nc2cc(Br)ccc2s1)c1ccccc1 487430410 QFIFKUWOYZMPHT-QGZVFWFLSA-N 442.382 5.543 30 20 IKED CC(C)(C#N)c1ccccc1CSc1nnc(COc2ccc(Cl)cc2Cl)o1 488554081 FOFQQVHAOPJNMW-UHFFFAOYSA-N 434.348 6.049 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 490844318 PMJLTLCRBGYWAX-FQEVSTJZSA-N 433.478 5.337 30 20 IKED C[C@H]1[C@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCN1Cc1ccccc1 494028525 RNIYESFNZCHBPT-NBGIEHNGSA-N 441.600 5.243 30 20 IKED CCOc1c(Br)cc(Cl)cc1NC(=O)N(CCC#N)Cc1ccco1 494218553 DBPNGZVJFHBSRQ-UHFFFAOYSA-N 426.698 5.042 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N(CCC#N)CC(C)(C)C 494414138 SGNUKPIWLDUKEG-UHFFFAOYSA-N 435.952 5.503 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1Cl 497900412 USLRUBHSQOZXPY-HXUWFJFHSA-N 442.862 5.704 30 20 IKED N#C[C@@H](NC(=O)c1ccc(COc2ccc(Br)cc2)o1)c1ccc(Cl)cc1 499808970 OWMZNCUHTZOCPL-GOSISDBHSA-N 445.700 5.269 30 20 IKED Cc1ccc2c(CCNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c[nH]c2c1 502935925 RCGDFQMSUGRETM-UHFFFAOYSA-N 438.531 5.486 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1csc(I)c1 503188867 LNDYYZWPWUOABA-UHFFFAOYSA-N 436.299 5.205 30 20 IKED COc1cc(F)c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1OC 504220463 OFHVTZUYNCVPCQ-UHFFFAOYSA-N 437.446 5.088 30 20 IKED N#C[C@H](NC(=O)c1oc2ccccc2c1CSc1ncccn1)c1ccc(Cl)cc1 505823742 BBRHXXBJYSPKGZ-SFHVURJKSA-N 434.908 5.163 30 20 IKED COc1ccc(Br)cc1-c1nc(CN(C)Cc2cccc(C#N)c2)cs1 506136156 OFUBTQYHNKMTKP-UHFFFAOYSA-N 428.355 5.085 30 20 IKED C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@@H](CC(F)(F)F)C1 508879952 JDEVVYBRUCGVIO-INIZCTEOSA-N 432.446 5.082 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCc3c(cnn3-c3ccccc3)C2)cc1 510679079 GQVRAGOKRKHBJI-UHFFFAOYSA-N 435.487 5.126 30 20 IKED CCN(Cc1cccc(Cl)c1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511502039 CYIZCWHDGNKZEM-UHFFFAOYSA-N 432.911 5.518 30 20 IKED Cc1ccccc1C1(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCOCC1 512930303 RBIHVXXIAOFBAR-HSZRJFAPSA-N 444.962 5.991 30 20 IKED CN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)[C@@H]1CCc2ccccc21 516012765 WHVPOFQNYSTTBU-JOCHJYFZSA-N 445.906 5.088 30 20 IKED COc1cc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)ccc1OC(F)F 516637199 STKHPUDKMIITTQ-UHFFFAOYSA-N 439.418 5.282 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1O 517312107 BXECKGAXSAAEOE-FQEVSTJZSA-N 435.911 5.374 30 20 IKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC(c2nc(-c3ccncc3)cs2)CC1 518945620 QCLDBISWNALVPV-UHFFFAOYSA-N 449.579 5.625 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1C 520470910 ZDWNDDRHIDYKDK-GOSISDBHSA-N 425.517 5.180 30 20 IKED CC(C)c1ccccc1OCCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 522089259 CTDGUTUXEYGQEM-UHFFFAOYSA-N 443.547 5.656 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)o1 531761180 WPFYFWLOTANMAF-ZDUSSCGKSA-N 444.969 5.515 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@@](C)(C#N)CCc1ccccc1 533505059 BFEVJRTUVQRULK-XMMPIXPASA-N 435.524 5.093 30 20 IKED C=C[C@@H](CC(=O)N1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1)c1ccccc1 533905748 CTDJHWIQKIIBFC-FQEVSTJZSA-N 430.514 5.488 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(CNCCSCc2ccccc2C#N)cs1 537215588 MRPLLGGDZSZCGN-UHFFFAOYSA-N 436.606 5.031 30 20 IKED CN1CCC[C@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 540718568 KYNOLJUNZDLMTC-KNQAVFIVSA-N 441.497 5.073 30 20 IKED COc1cccc([C@H]2C[C@H](C)CN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1 543285655 QQZFHDUHBPXOAA-KSFYIVLOSA-N 432.549 5.229 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](Nc2ccccc2)C1 549274824 RXSDCGJVOVHYRH-QFIPXVFZSA-N 426.568 5.007 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cc(-c3ccccc3)on2)cc1 549798546 PQUIOVAEASUEGS-UHFFFAOYSA-N 438.487 5.308 30 20 IKED CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)c1 551315707 MLSOEGVQZPDECM-UHFFFAOYSA-N 432.008 5.231 30 20 IKED Cc1c(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)sc2ccc(C#N)cc12 576810028 NWSSTNKJDGUAKE-SSEXGKCCSA-N 430.554 5.642 30 20 IKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)N(C[C@H](C)C#N)C1CC1 580169359 SEXDHNPLMSJOTM-CQSZACIVSA-N 444.457 5.422 30 20 IKED CN1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)[C@H](c2ccccc2)C1 584568392 YVHBWJDLGSLXOR-QFIPXVFZSA-N 430.483 5.010 30 20 IKED CCn1ncc2c(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)cc(-c3ccccc3)nc21 592973922 LFIURYFZXJMVPF-KRWDZBQOSA-N 441.491 5.357 30 20 IKED CC(C)COc1cn(-c2ccccc2)nc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 594362934 KDCGYCFZAZNNIW-QGZVFWFLSA-N 434.496 5.146 30 20 IKED CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 603656369 QDDIEBYVNKKPQV-UHFFFAOYSA-N 437.931 5.234 30 20 IKED CCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1[N+](=O)[O-] 603836639 RBPBCQOKOLUCKP-OAHLLOKOSA-N 427.869 5.260 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2COCc2ccccc2)o1 603912325 RHXFFVFKQHGCCN-UHFFFAOYSA-N 438.483 5.699 30 20 IKED N#Cc1ccc(Oc2ccc(Nc3cc(C(F)(F)F)nc4ncnn34)cc2Cl)cc1 603942756 WWQFDYDPTMJUQY-UHFFFAOYSA-N 430.777 5.204 30 20 IKED C=CCn1c(S[C@@H](C#N)Cc2ccccc2)nnc1-c1ccc(Br)cc1 604040595 KOQSLGCQKWXAMG-GOSISDBHSA-N 425.355 5.121 30 20 IKED N#C[C@@H](C(=O)c1cccc(Oc2nccs2)c1)c1nc2cc(C(F)(F)F)ccc2s1 606144176 BTKITHCODBDYIB-AWEZNQCLSA-N 445.447 6.054 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 608868719 KEDZCUIPBKQSDE-UHFFFAOYSA-N 443.532 5.185 30 20 IKED CC(C)CC(=O)N[C@@H](C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccccc1 608958984 CZNNYOFILFCZKZ-RUZDIDTESA-N 427.504 5.193 30 20 IKED C/C=C\c1ccc(OCC(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c(OC)c1 609028547 CNVMRSMZKZQUHP-UVXOLXFKSA-N 442.515 5.067 30 20 IKED CCCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609078478 SRWMICZIIFYNFD-UHFFFAOYSA-N 443.547 5.898 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(F)c(Cl)cc1Cl 609378314 BVMTWBOZMNNWDW-UHFFFAOYSA-N 437.245 6.409 30 20 IKED COc1ccccc1C[C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609378370 HHMCQGFTMVFWMD-HNNXBMFYSA-N 436.499 5.927 30 20 IKED Cn1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c(-c2ccccc2Cl)n1 609410612 QYYVPGDZNCZNBH-UHFFFAOYSA-N 429.867 5.052 30 20 IKED Cc1cc(Oc2ccccc2)ccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 609460246 GABGUBIUVWYPOW-UHFFFAOYSA-N 427.504 5.453 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(F)cc3Br)cc2)cc1 609502272 SYTNMVATWAPFQX-UHFFFAOYSA-N 425.257 5.699 30 20 IKED N#Cc1ccc(N2CCC(Nc3nc(-c4ccccc4C(F)(F)F)cs3)CC2)nc1 610685065 RUPDMMQNGCIBJY-UHFFFAOYSA-N 429.471 5.176 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC(F)F 613404461 NVDCWVLTVLTSNE-LLVKDONJSA-N 442.365 5.415 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nc2sccc2c1=O 613439282 VXLWSVOHIAFRHM-CYBMUJFWSA-N 433.986 5.034 30 20 IKED Cc1nc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)sc1Cc1ccccc1 617467582 IHKDLDINXWESFZ-UHFFFAOYSA-N 427.533 5.072 30 20 IKED COc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1 618542864 HSOBKZWXDIVBHZ-DTORHVGOSA-N 438.290 5.309 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C#N)c1ccc(Cl)cc1 619863851 JTSDRJZXQBJMSV-GOSISDBHSA-N 431.348 5.707 30 20 IKED C=CCOc1c(Cl)cc(CNc2ccc(C(=O)N3CCSCC3)cc2C)cc1OC 630068559 UNGQVOMPHLMODZ-UHFFFAOYSA-N 447.000 5.023 30 20 IKED C=CCn1c(SCC(=O)Nc2cccc3cnccc23)nnc1-c1ccc(Cl)cc1 657098479 CIHJPBYHGLLCGM-UHFFFAOYSA-N 435.940 5.064 30 20 IKED O=C(Nc1cc(F)cc(F)c1)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 673632777 ACGFXZOSWJJPOR-UHFFFAOYSA-N 435.274 5.440 30 20 IKED O=C(Nc1cc(F)c(F)cc1N1CCCCC1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 685689434 WRJXWYAWKTVVJW-PHIMTYICSA-N 445.354 5.160 30 20 IKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(F)c(F)c2)c1 726570825 LVEWEUXLUWHMOW-UHFFFAOYSA-O 442.898 5.409 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)cc1 726940068 GDCAFPFTKJYATD-UHFFFAOYSA-N 436.309 5.505 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/Cc3c(ccc(Cl)c3Cl)C2=O)cs1 729151380 SADFZPSLOMLRBX-WQLSENKSSA-N 447.318 6.096 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(OCc3ccccc3)nc2)cc1 729187741 IAGWASXFBMZGID-MBSDFSHPSA-N 427.504 5.135 30 20 IKED Cn1c([C@H](C#N)C(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)nc2ccccc21 730070714 CFMLRLITTNGZSJ-OAQYLSRUSA-N 429.907 5.225 30 20 IKED N#C[C@H](C(=O)Cc1coc(-c2cccs2)n1)c1nc(-c2c(F)cccc2F)cs1 730073977 VSVAHWLDVVSELO-GFCCVEGCSA-N 427.457 5.224 30 20 IKED Cn1c(CC(=NOCc2csc(C3CCCC3)n2)c2ccccc2)nc2ccccc21 731664209 CHRRYJLOGCWNSF-UHFFFAOYSA-N 430.577 5.851 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)C(CC)(CC)c2ccc(Cl)cc2)ccc1OC 733227759 CSQWMBOHGNOUBL-HXUWFJFHSA-N 428.960 5.404 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)ccc1OC 733644909 GVPIMFJAOPXWDL-XUZZJYLKSA-N 439.531 5.246 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)c1 733844819 VTWUEFXOAGNZFK-UGKGYDQZSA-N 448.567 5.012 30 20 IKED C=CCNC(=O)Nc1ccc(NCc2sc(Sc3ccccc3)nc2Cl)cc1 734157802 VTCAVBPRPHMNRF-UHFFFAOYSA-N 430.986 5.867 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NC[C@H](O)c3cc(Cl)cc(Cl)c3)c2)cc1 735703747 ZJWIXTXDWCNFIL-NRFANRHFSA-N 427.287 5.121 30 20 IKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc(F)c(Cl)c2)[n+]2ccccc2)cc1Cl 736270551 ZCJUDSUUYXOPLT-UHFFFAOYSA-O 445.326 5.615 30 20 IKED CC(C)(CCC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)NC(=O)OC(C)(C)C 737504928 BZFDAEBLLMHFKU-UHFFFAOYSA-N 437.540 5.159 30 20 IKED CC(=O)Nc1ccc(/C=C2\CC[C@H](C3CC3)/C(=C\c3ccc(NC(C)=O)cc3)C2=O)cc1 740666273 PDJGAMVUIDPEHA-OMWVVKPTSA-N 428.532 5.460 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C/C(=O)c1ccc(N2CCCC2=O)cc1 740765173 RLNDOQNPENQQNC-BUHFOSPRSA-N 433.939 5.225 30 20 IKED CCCOc1cc(/C=C/C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)ccc1OC 741446888 BCXBJXJWIPAGII-RIYZIHGNSA-N 428.550 5.096 30 20 IKED C[C@@H](Sc1nnc(CCc2ccccc2)o1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 742460931 IZMOBCCBALIXEW-FIOICXDGSA-N 433.577 5.216 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)NCC(C)(C)Sc1ccc(Br)cc1 743679146 WKRHIINTTQZUCV-UHFFFAOYSA-N 432.387 5.033 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)/C=C\c3ccc(-c4ccccc4Cl)s3)o2)cc1 744547273 OSNQUUGPADELMA-BENRWUELSA-N 447.903 5.747 30 20 IKED O=C(Cc1cc(F)cc2c1OCOC2)O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 750200866 CPYMSTCENMEDBA-QGZVFWFLSA-N 438.295 5.100 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2nc(C)n(-c3ccccc3C(C)C)n2)cc1 750394335 FPVMMPUSMRYIPP-HTAPYJJXSA-N 443.551 5.174 30 20 IKED Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1cnc(-c2cccs2)s1 751522563 QFJYFRXAYXJDRI-UHFFFAOYSA-N 438.390 5.608 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 752614738 GGYSMUDBFSMKKO-HXOBKFHXSA-N 446.617 5.240 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(O)(c1ccccc1)c1ccccc1 754996143 LSIYKTFCFKTDFE-UHFFFAOYSA-N 448.522 5.320 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2cn(-c3ccc(Cl)cc3Cl)nn2)S1 755571405 AOCNEVGSFWLJQI-MFOYZWKCSA-N 444.347 5.083 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCCCSc3nccs3)c2)cc1 758575930 CFSHHCKBEMAVEW-UHFFFAOYSA-N 438.578 5.092 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1oc2ccccc2c1CSC1CCCCC1 760786839 YULVHVMZWYTPFX-UHFFFAOYSA-N 438.524 6.292 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] 761266354 FSPIWUVLYFIEFZ-ZDUSSCGKSA-N 444.417 5.132 30 20 IKED Cc1c(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cccc1N1CCOC1=O 761474470 DKPARRBBMHCVGM-UHFFFAOYSA-N 447.878 5.521 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)c1=S 765041158 XYQOQQVZJHFEOP-REWPJTCUSA-N 449.624 5.089 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC[C@@H]2c2cccc(C)n2)c1=S 765107561 WDAMBYIWITYXOJ-HXUWFJFHSA-N 425.989 5.419 30 20 IKED N#CCCCn1cc(C(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)c2ccccc21 768003750 JVMAOOVDNIKBGH-SFHVURJKSA-N 425.454 5.594 30 20 IKED C[C@H](C#N)Oc1ccc(CN2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1 768802640 UENHDMFVFIJQJW-VFNWGFHPSA-N 432.351 5.277 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C[C@H](O)c3cc(Cl)cc(Cl)c3)cn2)cc1 772590472 AEVCHBDFUDOOPS-IBGZPJMESA-N 428.275 5.115 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 774046030 IKVWUXLZZSWRJA-SFHVURJKSA-N 441.812 5.673 30 20 IKED C=CCSc1nc2ccccc2n1CN1[C@H]2CC[C@H]1CC(N(C)C(=O)c1ccccc1)C2 776776936 NKDROLGMPVTAJF-SFTDATJTSA-N 446.620 5.040 30 20 IKED COc1ccc(C2(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)CCCC2)cc1OC 777303980 JCCCDNKCIBYYJA-MRXNPFEDSA-N 440.952 5.655 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 780673622 XGPVKNMSLBOVJT-XLIONFOSSA-N 431.496 5.177 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(C(F)(F)F)c(F)c1 784490146 CNQYTKXWOHIMQX-INIZCTEOSA-N 442.368 5.598 30 20 IKED Cc1csc([C@H](C#N)C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)n1 789391663 CJWOGVILLNMYFB-BHIFYINESA-N 435.980 5.197 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)c(C(F)(F)F)c1 796646916 KWHQIWSUDARPDO-MRXNPFEDSA-N 447.457 6.078 30 20 IKED N#Cc1ccc(N2CCC(C(=O)O[C@H](c3ccc(Cl)cc3)c3cccnc3)CC2)c(F)c1 796994318 FPXMJVHQWNABPH-XMMPIXPASA-N 449.913 5.295 30 20 IKED COc1cc(/C=C(\Cl)c2nc(O)c3c(-c4cccs4)csc3n2)ccc1C#N 799495780 VTTCSAZHRQDTKF-AUWJEWJLSA-N 425.922 5.743 30 20 IKED C#CC[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)c(NC(=O)OC(C)(C)C)cc1OC 804453292 DAYKCEADRYLJTN-QGZVFWFLSA-N 442.943 5.060 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(NC(=O)OCC(C)C)c1 806231607 MDEPSLSSNXZLRV-UHFFFAOYSA-N 427.549 5.279 30 20 IKED C#CCC1(OC(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)CCC1 810747464 GKRBLIVJWCHIBZ-UHFFFAOYSA-N 426.538 5.184 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1 813153524 SHAYEFULYZLIQM-CYBMUJFWSA-N 427.476 5.295 30 20 IKED N#C[C@@H](C(=O)CCc1cc(C(F)(F)F)ccc1Br)c1nc2ccccc2[nH]1 815898172 VNZRPDXKMFFDEQ-ZDUSSCGKSA-N 436.231 5.153 30 20 IKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1csc(Br)c1 914559403 MHDDANJXMVEMDA-UHFFFAOYSA-N 429.368 5.017 30 20 IKED Cc1ccc(N2C(=O)C[C@H](C(=O)[C@H](C#N)c3nc4ccccc4o3)[C@H]2c2cccs2)cc1 915102618 ARTXQLTUDFWWIS-BSRJHKFKSA-N 441.512 5.168 30 20 IKED N#C[C@@H](C(=O)CCc1nc(-c2ccsc2)no1)c1nc2cc(C(F)(F)F)ccc2s1 915103823 GHJICTIVZYNYGK-LBPRGKRZSA-N 448.451 5.236 30 20 IKED Cc1ccc(-c2nnc(S)n2N=Cc2sc(Oc3ccccc3)nc2Cl)cc1 915942162 JXSYNIDWJCHYMS-UHFFFAOYSA-N 427.942 5.327 30 20 IKED CC(C)COc1cccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 916904513 FKYBJLNOHHWVJY-QFIPXVFZSA-N 428.488 5.475 30 20 IKED C[C@@H](Sc1ccccc1Cl)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916931371 JVAGBVCMKVVCEO-PWSUYJOCSA-N 427.740 5.475 30 20 IKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN(C[C@H]2CCOC2)C2CC2)c1=S 917451523 WTFOEQKQZFRYED-GOSISDBHSA-N 426.630 5.023 30 20 IKED Cn1ccnc1COc1ccc(C(=O)/C=C/c2cccc(OCc3cccc(C#N)c3)c2)cc1 917518108 VLEURYUFBUSSQT-MDWZMJQESA-N 449.510 5.346 30 20 IKED CCOc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cs2)cc1 920105998 QNRSZYGJYMLFLI-SFHVURJKSA-N 429.501 5.204 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)c1ccccc1-c1ccccc1C#N 921182603 JVOZMMOWPNZCPD-IBGZPJMESA-N 426.516 5.841 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C#N)cc3)CCC2)cc1 1789448511 AZCBBNOMMPYCKE-DEOSSOPVSA-N 427.548 5.003 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3cncc(C)c3)CCC2)cc1 1789453334 WMCVLZAGMBJIFV-DEOSSOPVSA-N 431.580 5.225 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4occc4c3O)cc2)CCC1 1790931660 ZWLOJNVQWWCMLL-UHFFFAOYSA-N 430.504 5.080 30 20 IKED CC1(C)CCC(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(C#N)c2Cl)C3)CC1 1800230629 IJXIDUAZLZTKDQ-ACDBMABISA-N 442.003 5.070 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C2(C)CCCCC2)[C@H]1c1cccnc1 1813001836 FMSWWNZPWMSORO-FCHUYYIVSA-N 425.617 5.050 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(F)c(Cl)c2)CC1 1831376144 LAQJRZGVLUKRGL-YWZLYKJASA-N 438.946 5.064 30 20 IKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1831850321 IMXOUZGEXCCUJJ-SANMLTNESA-N 445.607 5.027 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(OC)c2C)CC1 1832537253 DFTRODBHJVDFOJ-ISKFKSNPSA-N 438.612 5.005 30 20 IKED C=CCNc1nnc(S[C@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)s1 11392972 GHAWUQQPLWHEMU-KRWDZBQOSA-N 446.985 5.270 30 20 IKED N#Cc1ccsc1NC(=O)COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 15185912 CYUGMWQVHUMBOD-UHFFFAOYSA-N 447.903 5.284 30 20 IKED CCOc1ccc(-n2c(SCCC#N)nnc2-c2ccc(Br)cc2)cc1 20969532 QPUZFXLLRHMCOH-UHFFFAOYSA-N 429.343 5.101 30 20 IKED Cc1cccc(Nc2nnc(SCC(=O)N(CCC#N)c3cccc(Cl)c3)s2)c1 22354058 LXIWRFHPNGGYQN-UHFFFAOYSA-N 443.985 5.283 30 20 IKED C=CCN(C(=O)CCOC[C@@H]1CCCO1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 107772754 AZXQOJHUZGXDLU-HNNXBMFYSA-N 441.380 5.222 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1 195728031 HARKDCLDSPYXHJ-UHFFFAOYSA-N 426.545 5.155 30 20 IKED C=CCOc1cccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)c1 303031180 UFVJQUBAJCUZIO-UHFFFAOYSA-N 427.426 5.586 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)NCc2ccc(OCc3ccccc3)cc2)c1 303100455 BVRODPCVEXWJMB-UHFFFAOYSA-N 438.483 5.239 30 20 IKED CC(=O)Nc1cc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1C 303684003 ZMFCZJSWKNQUEM-UHFFFAOYSA-N 428.492 5.243 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)cc1 303848635 KESHFWSTONGBBX-PMACEKPBSA-N 444.453 5.142 30 20 IKED C=CCN1CCC(NC(=O)C/C(=C\c2cccc(OC)c2)c2nc3ccccc3s2)CC1 426351647 MIHYXZAHGUJKQZ-CAPFRKAQSA-N 447.604 5.002 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](CO)Cc1ccccc1Br 429622313 NNBYKINVNVWHPN-QGZVFWFLSA-N 445.401 5.274 30 20 IKED CC1(C)CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@H]1c1cccnc1 432791422 GCELNETWOCLBJW-QHCPKHFHSA-N 430.483 5.286 30 20 IKED CCCc1c(NC(=O)N[C@H](c2cc(F)ccc2F)C(F)F)cnn1-c1cccc(C#N)c1 433657730 XDNLTRDFFAIEEP-HXUWFJFHSA-N 445.420 5.103 30 20 IKED N#CC(CCSc1nnc(Cc2cccc(F)c2)o1)(c1ccccc1)c1ccccc1 434649384 XQQPMQHZGHRIES-UHFFFAOYSA-N 429.520 5.792 30 20 IKED COC(=O)c1ccccc1-c1ccccc1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 436031270 XKJJPLWIGNIBFN-OAQYLSRUSA-N 438.405 5.154 30 20 IKED CC(=O)CCc1ccc(OCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 437500821 RWBPUCCFXXVGPJ-UHFFFAOYSA-N 432.451 5.029 30 20 IKED N#CCC[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccccc1 439673674 NNEFXUZGJVKPDN-NQIIRXRSSA-N 444.362 5.007 30 20 IKED COCc1nc(CNC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c(-c2ccccc2)s1 441042165 PMNPZAGOZOVPCR-UHFFFAOYSA-N 448.592 5.196 30 20 IKED N#CC(CCN1CCC[C@H](CNC(=O)c2ccccc2)C1)(c1ccccc1)c1ccccc1 444648581 JRYMKBFAPWYGKR-XMMPIXPASA-N 437.587 5.028 30 20 IKED CN1C(=O)N(c2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C(=O)[C@H]1Cc1ccccc1 445980733 FWPWSHADICJVRE-OAQYLSRUSA-N 431.879 5.014 30 20 IKED N#Cc1cccnc1-n1cc(NCc2nc(-c3cc(Cl)ccc3Cl)cs2)cn1 461435136 VLXUADWKHKPGRY-UHFFFAOYSA-N 427.320 5.181 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CNc1cc(Br)cc(C(F)(F)F)c1 462193986 WGMPZOHNUPNUCE-UHFFFAOYSA-N 432.627 5.044 30 20 IKED O=C(CCC(F)(F)F)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F 463644867 UCWURYYOZLWNFM-UHFFFAOYSA-N 427.291 5.735 30 20 IKED Cc1ccc2nc(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)[nH]c2c1 466771022 DGSMQIGSCUJTQV-IBGZPJMESA-N 429.911 5.502 30 20 IKED Cc1nc2c(s1)CCC[C@H]2C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 469414993 YUXDWWCLXFBKQG-CYBMUJFWSA-N 425.501 5.535 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2ccccc2)CC(F)F)cc1 469509365 XJCLPLVSBFVRBP-UHFFFAOYSA-N 435.474 5.631 30 20 IKED CCC(C)(C)N(CCC#N)C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 471166712 YTXVTVDZNXFLEY-UHFFFAOYSA-N 442.357 5.246 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 472323860 HDFATJDJORPELH-XWRIVVANSA-N 446.979 5.298 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)CCc2nnc(C3CCCC3)o2)c1 472354649 WLCKXMCJRJSIOH-UHFFFAOYSA-N 434.927 5.418 30 20 IKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 474427723 PILXYEXUBSYARV-HXUWFJFHSA-N 445.544 6.094 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)CC2)c1 479652575 POIYOFXQWMTRHC-UHFFFAOYSA-N 439.540 5.265 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1 480593162 BPEBIMSJHHYJKZ-GOSISDBHSA-N 437.613 5.745 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2Cl)c1 480901288 SWZXFLWGPHRTDD-UHFFFAOYSA-N 434.776 5.599 30 20 IKED N#Cc1ccc2c(c1)CCCC[C@H]2NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 481996621 DMVFWYZCFMKAMG-HSZRJFAPSA-N 441.497 5.239 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1 482192537 LNZQANXNNBEYIT-UHFFFAOYSA-N 449.860 5.145 30 20 IKED CCc1ccc([C@H]2CCCN(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)C2)cc1 482264508 FINIXJALGZASJW-QHCPKHFHSA-N 444.579 5.243 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 483043181 DXJVPFLNXAGZLO-UHFFFAOYSA-N 444.885 5.669 30 20 IKED Cc1cccc(CN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)Cc2ccccn2)c1 485110120 UYBLRAJRQPKGBV-NRFANRHFSA-N 444.604 5.425 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C(=O)OC)c1cccc(Cl)c1 489620162 QRGUVIOIFGEYLF-HXUWFJFHSA-N 443.956 5.011 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2c(F)cc(F)cc2F)nnc1-c1cccc(Cl)c1 489651347 IABRNSOBCLPALC-NSHDSACASA-N 437.874 5.565 30 20 IKED CC(C)Cn1ncc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1C1CC1 490286218 KGMNASNALZBSEZ-UHFFFAOYSA-N 430.577 5.833 30 20 IKED C=CCN(CCc1ccco1)Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1 491356123 KFGQBQUIHZICAY-UHFFFAOYSA-N 444.000 5.922 30 20 IKED N#CCSc1cccc(C(=O)N2CCCCC[C@H]2c2noc(-c3ccc(F)cc3)n2)c1 501810322 ZEKTZZBQVPHMLS-FQEVSTJZSA-N 436.512 5.249 30 20 IKED COc1ccccc1C1(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 503033054 OSDUTPJVLPVVDE-UHFFFAOYSA-N 441.531 5.194 30 20 IKED CC1(C#N)CCN(CC(=O)N(Cc2ccc(F)cc2)c2nc(-c3ccccc3)cs2)CC1 506022001 KAVHTAWRSXSFQX-UHFFFAOYSA-N 448.567 5.108 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H]2CCN(c3ccccc3)C2)cc1 508293106 QYHLQHFNPQAHSK-FQEVSTJZSA-N 442.519 5.007 30 20 IKED C=CCN(Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1)Cc1cccs1 510843055 UWDOXNCKPVWKBZ-UHFFFAOYSA-N 446.041 6.348 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H](c3ccccc3)c3ccccn3)c2)c1 511517164 XZLZYFYYPJZLPJ-VWLOTQADSA-N 447.498 5.117 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@@H]3Cc3cccc(F)c3)c2)c1 511531203 YARJNYHNHUTQBJ-XMMPIXPASA-N 442.494 5.189 30 20 IKED COc1ccc(-c2nn(-c3ccccc3)cc2CNc2cccc(OCCCC#N)c2)cc1 513197091 NCPMOSHXIDTZIN-UHFFFAOYSA-N 438.531 5.843 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCCc3cc(OC(F)F)ccc32)c1 513508872 VDPSWTBSIOKBKM-UHFFFAOYSA-N 434.442 5.332 30 20 IKED N#Cc1ccc(Sc2nnc(-c3ccccc3F)n2Cc2ccccc2)cc1[N+](=O)[O-] 514832606 OINMTVDISNIIJR-UHFFFAOYSA-N 431.452 5.064 30 20 IKED C[C@H](NC1(CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CCCC1)c1ccccc1 517716231 IJIMVMTUBKKEBE-FQEVSTJZSA-N 440.547 5.139 30 20 IKED CCC(CC)[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccs1 518252911 LECMMHGYJGTDOR-FOIQADDNSA-N 429.611 5.375 30 20 IKED Cc1ccccc1CN1CCC(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 520335400 UTVBOSBANJXVFJ-UHFFFAOYSA-N 439.559 5.248 30 20 IKED CSCc1nc2ccccc2n1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 520620793 ITYLESYTQMUZEW-UHFFFAOYSA-N 428.517 5.202 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 520837461 VJGWZRNWEJSMPP-GFCCVEGCSA-N 439.415 5.040 30 20 IKED Cc1ccc(Oc2ccccc2CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1 520912209 YKCSKIKMQYCKDF-UHFFFAOYSA-N 441.531 5.131 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 521135409 UTLIVVYYSPKKGN-UHFFFAOYSA-N 440.830 5.219 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3cccc(OCc4cscn4)c3)c2)cc1 521495269 SILAGYROBIOISF-UHFFFAOYSA-N 427.485 5.638 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1C 521501742 ZBLIVEHGXYDKNB-INIZCTEOSA-N 444.906 5.034 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)CCOc3ccccc3-c3ccccc3)CC2)c1 521513802 RBYUVKVZIOGZBU-UHFFFAOYSA-N 426.516 5.064 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2cccc(C#Cc3ccccn3)c2)ccc1OC(C)C 522073389 HLBAEORQKDDOHA-IBGZPJMESA-N 429.520 5.160 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)c1 522572358 RCLXREZNQTTYNL-MJGOQNOKSA-N 442.968 5.131 30 20 IKED C=CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 522766115 CFAASNOKDKHCPK-GMAHTHKFSA-N 445.529 5.486 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(OC[C@H]2CCCO2)c1 524388710 UVDSKIUEAQENHQ-RUZDIDTESA-N 442.515 5.256 30 20 IKED C=CCn1c(Sc2ncnc3scc(-c4ccc(C)cc4)c23)nnc1-c1cnccn1 532498239 VQTUDAHTQRSDQK-UHFFFAOYSA-N 443.561 5.052 30 20 IKED CCCn1c(-c2csc(N(C(C)=O)c3ccc(OC)cc3)n2)nc2cc(C#N)ccc21 533908942 ABQGIRREHXYSKN-UHFFFAOYSA-N 431.521 5.135 30 20 IKED C=CCC[C@H](NC(=O)N[C@@H]1CCN(C(C)=O)c2ccccc21)c1ccc(C(F)(F)F)cc1 535267874 DZAZPNLUEOOUML-LEWJYISDSA-N 445.485 5.510 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccccn4)c3C(C)C)n2)cc1 535405537 UTCJXDXOEFCYFA-GOSISDBHSA-N 443.532 5.013 30 20 IKED Cc1nn(-c2ccc(Br)cc2)c(NC(=O)c2ccc(C3(C#N)CC3)cc2)c1C 537418727 JAAQLBQLTPYFIB-UHFFFAOYSA-N 435.325 5.059 30 20 IKED CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 538179112 FCQMRAAFRYIBNJ-AWEZNQCLSA-N 430.436 5.330 30 20 IKED CCOc1cc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)ccc1OCC(F)(F)F 538738135 ARMSSQGAACSXMP-UHFFFAOYSA-N 439.318 5.343 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3[nH]c(-c4cccc(OC)c4)nc3C)n2)cc1 538980909 RXQQPCCXENGMJO-IBGZPJMESA-N 444.516 5.016 30 20 IKED CN1CCC(N(Cc2ccccc2)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 540308394 NAYICAXWCLMQIR-UHFFFAOYSA-N 438.575 5.031 30 20 IKED COc1cc(CN[C@@H](C)c2ccc(-c3ccncc3)cc2)ccc1OCc1cccc(C#N)c1 540437470 AVXUXJBCVMCWHN-NRFANRHFSA-N 449.554 6.059 30 20 IKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)cc(-c3cccs3)nc21 540744102 HOPWFVYWWUJSJO-OAHLLOKOSA-N 426.505 5.107 30 20 IKED CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1 542086775 VXSGBLZUWYAMES-AEFFLSMTSA-N 432.593 6.016 30 20 IKED Cc1ccc(C(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c(O)n1 544027112 UWSIPLKBZCPZAV-LBPRGKRZSA-N 446.269 5.167 30 20 IKED C[C@](O)(C1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1)C(F)(F)F 545250167 DECGUBMLECZWQV-QFIPXVFZSA-N 448.510 5.016 30 20 IKED CN1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)[C@H](c2ccccc2)C1 549013718 PUOMOZJDHVTIAB-ZCYQVOJMSA-N 444.966 5.516 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(NC(=O)CC(F)(F)F)cc3)c2)cc1 549144961 LBCYMGRRMFYHKQ-UHFFFAOYSA-N 438.409 5.445 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1sc([C@@H]2CCCOC2)nc1C 550572444 ZOWNZYZXADBDNZ-HXUWFJFHSA-N 449.551 5.512 30 20 IKED CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 553954811 DLDUUXJDOLWQOC-UHFFFAOYSA-N 438.483 5.576 30 20 IKED C=CCC[C@H](NC(=O)C(=O)N[C@H](c1cccs1)C1CC1)c1ccc(C(F)(F)F)cc1 563508391 CNRGQLJVVFDNCK-HKUYNNGSSA-N 436.499 5.158 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)c1 563656496 LRDTVPOTJIQOKV-NTKDMRAZSA-N 432.907 5.512 30 20 IKED CC1(c2nc([C@@H]3CCOc4ccccc43)no2)CCN(c2ccc(Cl)cc2C#N)CC1 564256359 CBAOZPDETHGECH-LJQANCHMSA-N 434.927 5.067 30 20 IKED C/C(=C/c1ccccc1OC(F)F)CNc1ccc2c(c1)CCC(=O)N2CCCC#N 574084478 PBMDFZSKRHDEAG-VKAVYKQESA-N 425.479 5.386 30 20 IKED COc1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1Cl 574907902 WRKFCWQGFLQEDU-LBPRGKRZSA-N 438.723 5.664 30 20 IKED COc1ccc(COc2cccc(F)c2)cc1NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 581153244 ADEWHXLUWAXAGR-UHFFFAOYSA-N 436.458 5.340 30 20 IKED CCOc1c(Br)cc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1OC 592974161 PCKRRPMXEXUVON-LBPRGKRZSA-N 449.301 5.095 30 20 IKED CCCc1nc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)nn1-c1ccccc1Cl 592974355 RBJAQUKOZFQNHQ-ZDUSSCGKSA-N 439.903 5.112 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(=Cc4cccc(F)c4)CC3)cn2)cc1 603828884 AONPZYKEYQECKS-UHFFFAOYSA-N 428.467 5.596 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cccc(I)c1 603967823 BIYKWZOHPDZXSQ-UHFFFAOYSA-N 430.270 5.144 30 20 IKED CC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 603983860 OZVGCTQLUXQCFN-UHFFFAOYSA-N 434.561 5.430 30 20 IKED N#Cc1cccc(CS(=O)(=O)N[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)c1 604042424 SWVHITIMGZVTHO-NRFANRHFSA-N 431.344 5.074 30 20 IKED N#C[C@@H](C(=O)c1cccc(Oc2nccs2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 606147130 ULILQQZNNNPELD-HNNXBMFYSA-N 448.529 5.015 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 608917882 YODAWJBGTZRMAH-RUZDIDTESA-N 436.559 5.792 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 609078343 JUZYXVAQNLZPPC-KRWDZBQOSA-N 429.476 5.057 30 20 IKED Cc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)c1 609165652 NAXJUNXRYXMRLS-AWEZNQCLSA-N 438.578 5.366 30 20 IKED N#CCn1c(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)cc2ccccc21 609215506 BATIVSAEOCEOPZ-UHFFFAOYSA-N 444.926 5.055 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1cc(Br)ccc1F 609398267 OYZJXCLXFBWHKM-CYBMUJFWSA-N 436.350 5.504 30 20 IKED COc1ccccc1[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccccc1 609398792 SDEUBRXEYFWVTO-UUOWRZLLSA-N 431.561 5.858 30 20 IKED COc1ccc(-c2nc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cs2)cc1OC 609414480 UCFSPXDBFOTZSY-AWEZNQCLSA-N 448.331 5.129 30 20 IKED CCO[C@H](C)c1nc(CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cs1 609754904 NPPAMOCWQHZMKI-GFCCVEGCSA-N 443.516 5.446 30 20 IKED COc1ccc(OC2CCN(C(=O)Nc3cccc(C#Cc4cccs4)c3)CC2)cc1 613007841 HIFZEIJFQLITKC-UHFFFAOYSA-N 432.545 5.232 30 20 IKED CC[C@H]1c2ccccc2CCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 614148973 HPTXSIUXSGQRAG-IBGZPJMESA-N 435.578 5.243 30 20 IKED N#C[C@]1(F)CCN(C(=O)Nc2ccc(Oc3ccnc4cc(Cl)ccc34)c(F)c2)C1 615530830 FCMFAWRNVFPUML-OAQYLSRUSA-N 428.826 5.289 30 20 IKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 616846969 BADHVFFVGJKGOB-UHFFFAOYSA-N 447.585 5.102 30 20 IKED N#CCCn1ncc(C(=O)Nc2nc3cc(C(F)(F)F)ccc3s2)c1-c1ccccc1 617451046 OBCGPQJHTJZMOZ-UHFFFAOYSA-N 441.438 5.345 30 20 IKED O=C(NCC1(c2ccc(F)cc2)CCCC1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618556043 XPKLHDNLUQOTAK-GJZGRUSLSA-N 440.403 5.410 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2cccc3ncccc23)C(C)C)nnc1-c1ccccc1 637753374 NTJLCIVLXHTQDV-QFIPXVFZSA-N 443.576 5.435 30 20 IKED N#C[C@@H](C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2n1C(F)F 642282479 VEUDIHIXOFIOFM-LBPRGKRZSA-N 447.285 5.959 30 20 IKED C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 682079918 FEENESWQBCGTCS-JLLWLGSASA-N 437.302 5.062 30 20 IKED CCOc1cc(CN(C)C(=S)Nc2ccc(C#N)c(Cl)c2)ccc1OC(F)F 726457881 XUIFJGHIHPQTTE-UHFFFAOYSA-N 425.888 5.041 30 20 IKED Cc1ccc2c(Cl)c(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)sc2c1 729728971 IEPLALCBRNPUNO-NSHDSACASA-N 444.965 5.469 30 20 IKED COc1ccccc1N=C1SCCN1C(=O)CCc1nc2cc(Cl)ccc2s1 730448170 LBJQAZWWTUPLQC-UHFFFAOYSA-N 431.970 5.154 30 20 IKED O=C(C[C@H]1SC(=Nc2ccccc2)N(C2CCC2)C1=O)Nc1cccc(Cl)c1Cl 730460321 XOZJNYWWWVOFJY-QGZVFWFLSA-N 448.375 5.506 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(C2CC2)nc2ccccc12 731066914 IUJOXUFFDDSQIP-INIZCTEOSA-N 445.544 5.302 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(Cl)nn4)cc3)cc2)nc1 733244585 SHMXKWJGGYSOOT-UHFFFAOYSA-N 443.850 5.234 30 20 IKED CN(Cc1ccccc1NC(=O)/C=C/c1ccccc1C#N)C(=O)c1cc2ccccc2o1 736500343 GVOCIMFXJPSSTL-CCEZHUSRSA-N 435.483 5.229 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)C[C@H](C)c2ccccc2C(F)(F)F)ccc1OC 741563529 SMCJPBXZVXSVOS-RDJZCZTQSA-N 434.458 5.205 30 20 IKED C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 743953039 NNLBJAFSHKVSBD-XYHYBEPMSA-N 441.506 5.029 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)c1 745821241 PFTRESGEQUUAPK-IBGZPJMESA-N 431.458 5.265 30 20 IKED N#Cc1ccc(Oc2ccc(OC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2)cc1 748684395 ZUDSIPSLZQRUHS-UHFFFAOYSA-N 446.462 5.424 30 20 IKED CC(C)Oc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)cs2)cc1 749338978 WDOJLAQMPHCKTJ-MRXNPFEDSA-N 439.924 5.212 30 20 IKED CC1([C@H]2CCCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)C2)OCCO1 752525005 HEMYDCLJZHKNJV-KRWDZBQOSA-N 441.915 5.011 30 20 IKED COc1ccc(C(C)(C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC 757874287 HXOVOLDORMNCDJ-CQSZACIVSA-N 448.466 5.486 30 20 IKED O=C(/C=C\c1sccc1Br)c1ccc(S(=O)(=O)C2CCCC2)cc1 764917119 LLEGXPFEPOGHNS-KTKRTIGZSA-N 425.369 5.123 30 20 IKED C=CC[C@@H](N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C)c1ccncc1 766017406 BPXGQCLBHMIQHD-IFXJQAMLSA-N 428.399 6.244 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1C#N 767291377 NKNRZCGASNKKEZ-OAHLLOKOSA-N 431.483 5.201 30 20 IKED Cc1cc([C@H]2NC(=O)N(c3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2=O)ccc1F 771814891 BLZFOSDSQXJSEA-SIKLNZKXSA-N 433.870 5.241 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 772540656 LDTHFKQPNIYMLY-LLVKDONJSA-N 429.345 5.284 30 20 IKED CCC(C)(C)N(CCC#N)C(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12 776424991 IZTQBRVYWDJKBX-UHFFFAOYSA-N 431.536 5.463 30 20 IKED CC(=O)N1C/C(=C\c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C(=O)c2ccccc2C1 778520340 URDFSKYMKDYQGV-XDHOZWIPSA-N 446.434 5.155 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 780153805 YMNFRPFBTAUXMW-AWEZNQCLSA-N 442.450 5.449 30 20 IKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Nc1ccccc1O[C@@H](C)C#N 780164163 NKSNLNHKNIYLOY-ZDUSSCGKSA-N 443.334 5.268 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1 780933237 VRRVIIOZGLDZIL-DVECYGJZSA-N 446.572 5.580 30 20 IKED Cc1cc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)cc2cccnc12 783820300 CBWPVCPIETUAGW-UHFFFAOYSA-N 444.347 5.191 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H](c2ccc(Br)s2)C2CC2)ccc1OC 784042146 GZFDIIJOUYYXDG-QRWLVFNGSA-N 435.387 5.441 30 20 IKED N#C[C@H](COC(=O)c1csc(-c2ccccc2)n1)Cc1ccccc1Br 786640259 FXKWYZYLLYGCHI-CQSZACIVSA-N 427.323 5.112 30 20 IKED COc1cc(/C=C\C(=O)c2cnn(C(C)(C)C)c2C)cc(Br)c1OC(F)F 787186087 FEBKLHHIMHKCGB-SREVYHEPSA-N 443.288 5.215 30 20 IKED COc1ccc2c(c1)CN(C(=O)Nc1ccccc1O[C@H](C)C#N)[C@@H](C1CCCCC1)C2 787434961 XRDZHDJERVHGDL-HOYKHHGWSA-N 433.552 5.525 30 20 IKED COC(=O)[C@H]1CC[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1 797943696 UFUMBBMTNRFIKI-HUBLWGQQSA-N 437.348 5.273 30 20 IKED N#Cc1ccc(NC2CC2)c(NC(=O)COc2ccc(C3SCCCS3)cc2)c1 798265276 DJAAAMYGSYVTAT-UHFFFAOYSA-N 425.579 5.019 30 20 IKED CC(C)C(=O)c1ccc([C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 802043764 PLGBWOGBFYZDQC-YWZLYKJASA-N 436.964 6.282 30 20 IKED CCOC(=O)[C@H]1C/C(=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)C(=O)c2ccccc21 802708503 VBXSXRVQKFCPGL-XIJQHFHMSA-N 434.473 5.035 30 20 IKED C[C@H](OC(=O)c1cc(F)c(C(F)(F)F)cc1F)C(=O)Nc1ccccc1C(F)(F)F 805594759 ZGTWFTIRVVWSSO-QMMMGPOBSA-N 441.274 5.186 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cc(Cl)ncc3Br)c2)c1 810130250 UQGQAKXPTIJCFU-UHFFFAOYSA-N 442.700 5.200 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](NC(=O)c1ccc(CC#N)cc1)CC(C)(C)O2 810957382 DOBRFIXHOWSBNZ-HXUWFJFHSA-N 435.524 5.132 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 814653220 SHATXKPXDXSHLO-GCJKJVERSA-N 436.556 5.829 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cccs2)C1=O)Nc1ccccc1 837742147 XVGBJLOPSTWFSA-IBGZPJMESA-N 439.537 5.048 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1 915055190 BCJNUEPTPSXZEY-DHZHZOJOSA-N 440.890 5.908 30 20 IKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(Cl)cc1 916210934 IMMPEVWWEINICS-LJQANCHMSA-N 427.957 5.103 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)/C=C/c1cc(C)n(C2CCCCC2)c1C 916921795 BPMUXGDODDPJNW-JXVRESAISA-N 433.552 5.370 30 20 IKED Cn1ccnc1COc1ccc(C(=O)/C=C\c2ccc(-c3nc4ccccc4s3)o2)cc1 917517182 AWCPOGQVILNIIG-BENRWUELSA-N 441.512 5.765 30 20 IKED CCCn1c(C=Nn2c(S)nnc2COc2cc(C)ccc2C(C)C)nc2ccccc21 917541786 PVLFTHYYWKJCFK-UHFFFAOYSA-N 448.596 5.220 30 20 IKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2cc3c4ccccc4n(C)c3s2)c1C 918794884 OCFMIXXMNDKBRZ-UHFFFAOYSA-N 445.544 5.114 30 20 IKED N#CCOc1ccccc1C(=O)N(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 920012832 DMZBFPJJZUMYIV-UHFFFAOYSA-N 440.421 5.673 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Sc3ccc(Cl)cc3)n2)cc1 920138869 LLFLGRUIMCVTEG-SCLBCKFNSA-N 428.966 5.829 30 20 IKED Cc1ccc(Cc2sc(NC(=O)CN3CCC[C@H]3[C@H](C#N)c3ccccc3)nc2C)cc1 1615607987 UDICPMHRXZQIQJ-PKTZIBPZSA-N 444.604 5.061 30 20 IKED Cn1c(O)nc2ccc(C(=O)Nc3ccc(Sc4ccc(Cl)cc4C#N)cc3)cc21 1638222295 UDQRPHVMXUIVNF-UHFFFAOYSA-N 434.908 5.207 30 20 IKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc5ccccc5o4)CCC3)cc2)cc1 1785881854 SWCAEFXUFNPZSL-UHFFFAOYSA-N 449.510 5.295 30 20 IKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)CC4CC4)cc3)CCC2)cc(C(F)(F)F)c1 1787826108 CEXQWVLYMASEHG-UHFFFAOYSA-N 441.453 5.125 30 20 IKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3ccc(C4CC4)cc3)CCC2)cc1 1789576867 MELZIDINRNJKDV-OGLMXYFKSA-N 441.531 5.024 30 20 IKED N#CCC(=O)NC1(c2ccc(NC(=O)c3c(-c4ccccc4)cn4ccccc34)cc2)CCC1 1790033672 MNQVZQZWCAAXTF-UHFFFAOYSA-N 448.526 5.268 30 20 IKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cccc(-c4cnco4)c3)cc2)CCC1 1790707276 FGGPEFIAIKEUBE-JOCHJYFZSA-N 449.576 5.044 30 20 IKED Cc1ccc(CSCCC(=O)Nc2ccc(C3(NC(=O)[C@@H](C)S)CCC3)cc2)cc1 1791501777 BHXPKNRFYCBCCH-GOSISDBHSA-N 442.650 5.071 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)C[C@@H](C)c2ccccc2)[C@H]1c1cccnc1 1810183842 YHWLAAATCPINCE-XFHZLPGWSA-N 445.607 5.050 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3c(Cl)cccc23)n[nH]1 1821542253 ZPLFBHXMWJBKAD-KUHUBIRLSA-N 439.947 5.063 30 20 IKED Cc1ccc(-c2ccccc2C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](C)S)n[nH]2)cc1 1822384363 RRROKUYSCLXUKU-VGSWGCGISA-N 448.592 5.009 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sccc2OCC)CC1 1823749297 GSKXZROJEKHEJZ-HXUWFJFHSA-N 446.657 5.373 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCC(C(F)(F)F)CC2)CC1 1824828104 YKRMESFNVKJUMD-WYNBGMTASA-N 442.566 5.187 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3Cl)CC2)C1 1828292293 VFVUGYYYTHMVRN-QHCPKHFHSA-N 439.987 5.021 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccccc3o2)CC1 1828827979 ASXIQEFFQRERID-PKTZIBPZSA-N 434.580 5.435 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc(F)c2F)CC1 1831572697 FYSLDNKZJCSPHX-QFIPXVFZSA-N 446.582 5.119 30 20 IKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 1831750228 SXIIRIKWJGLWEM-NRFANRHFSA-N 449.422 5.221 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(C)c(C)c2)cc1 11163558 CQLWSNVXHONMDC-UHFFFAOYSA-O 443.636 6.083 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1ccc2ccccc2c1 21366838 AIABQCUCBPRXLP-UHFFFAOYSA-N 448.523 5.066 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2ncc(C(F)(F)F)cc2Cl)cc1 21551211 ZEVNGMZITDWKEI-CYBMUJFWSA-N 427.879 5.490 30 20 IKED Cc1ccc(C[C@@H](C#N)Sc2nnc([C@@H](C)N3CCCCC3)n2-c2ccccc2)cc1 24849755 JGRQPUDKHVBOCQ-OFNKIYASSA-N 431.609 5.350 30 20 IKED C=CCN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1nc(-c2ccccc2)cs1 32492591 NRCKNBVCUWEUCB-HXUWFJFHSA-N 449.551 5.021 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2cccs2)nnc1-c1ccc(Cl)cc1 57926174 NBCSWSGITUXJCY-AWEZNQCLSA-N 433.002 5.158 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccc(C)cc1)c1ccc(OC)cc1 63403629 UFNULDBGIUGKSP-RUZDIDTESA-N 445.519 5.399 30 20 IKED COc1ccc2c(c1)OC[C@@H](C(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)C2 64390792 PSUOWDJURZWZHD-PGRDOPGGSA-N 432.907 5.194 30 20 IKED CCCN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)[C@@H](C)C(=O)Nc1ccccc1 303591656 HWDUCXSFDJTHOI-FQEVSTJZSA-N 441.531 5.017 30 20 IKED CCN(C(=O)c1cc(Br)sc1Br)[C@H](C)c1ccc(C#N)cc1 303714876 ZSWLONVFVGHVCK-SNVBAGLBSA-N 442.176 5.368 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(O)nc2c(Br)cccc12 426280493 TZQUKSUSNXJDFL-LBPRGKRZSA-N 442.338 5.207 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)[C@H](c1ccc(Cl)cc1)c1cnccn1 429049763 WGAUPAFBXKJSGG-JOCHJYFZSA-N 435.915 5.042 30 20 IKED N#Cc1ccc(NC(=O)Cc2csc(-c3cc(Br)cs3)n2)c(Cl)c1 430372369 ZKWDJLOILLYOGP-UHFFFAOYSA-N 438.759 5.340 30 20 IKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)cc(-c3ccccc3)nc21 430622523 GJAAKGAHMWZTAH-GOSISDBHSA-N 443.576 5.923 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)N[C@H](CCCC#N)c3ccccc3)s2)cc1 431930286 FBMVOSVEXRAILV-SIKLNZKXSA-N 432.593 6.222 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)c1cc(C(F)(F)F)ccc1Br 432682940 VZBWSURDPQAHLO-UHFFFAOYSA-N 430.117 5.878 30 20 IKED CN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nc2cccc(Cl)c2s1 436396112 YHBXRQKAQOOAQK-UHFFFAOYSA-N 433.920 5.677 30 20 IKED CC(C)(CC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)Cc1ccc(Cl)cc1 437816684 AKLKCSKYFVECKX-UHFFFAOYSA-N 437.971 5.048 30 20 IKED C[C@H](Nc1cccc(OCCCC#N)c1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 439564474 QLQPYNAZYDIEEZ-SFHVURJKSA-N 435.524 5.240 30 20 IKED CCCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H](C)c1ccccc1Br 441228482 NMQYGCSGRKAPMZ-HNNXBMFYSA-N 425.330 5.344 30 20 IKED C[C@@H]1CCC[C@@H](N(Cc2ccc3c(c2)OCO3)Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H]1C 441517136 PXAVUSBTGHYUTB-JBYIUTFZSA-N 444.535 5.164 30 20 IKED C=CCC[C@@H](NC(=O)NC1CCC(c2nc(C)no2)CC1)c1ccc(C(F)(F)F)cc1 441529117 HGQOFBNBVCHYKY-NKELODKYSA-N 436.478 5.430 30 20 IKED N#C[C@H](c1ccccc1)N1CCN(C(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)CC1 442414393 DMBVVZHZFSZGGN-HXUWFJFHSA-N 439.346 5.011 30 20 IKED CCOc1cc(-c2nnc(S[C@H](C)c3cccc(C#N)c3)o2)cc(OCC)c1OCC 442909129 QMVYAGOGRGSBKM-OAHLLOKOSA-N 439.537 5.658 30 20 IKED N#Cc1cc(N2CCC[C@@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)nc2ccc([N+](=O)[O-])cc12 443491552 QVNOCCAUXANKMW-OAQYLSRUSA-N 444.882 5.400 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1nc2ccccc2s1 444454732 PLKDRAWCJNKTHB-CYBMUJFWSA-N 428.391 5.945 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(Oc2ncccc2F)CC1 446124106 XTWBNJCSSOUZSY-UHFFFAOYSA-N 446.482 5.268 30 20 IKED C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H]1c1cc(C)ccc1C 460804214 NIUOITXBHHLWTR-JOCHJYFZSA-N 440.551 5.128 30 20 IKED C=CCN(C(=O)CCc1cncc2ccccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 462388762 LWMDYORACROCQG-UHFFFAOYSA-N 444.516 5.418 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 462828388 NDLKFXDCZPFRQI-LBPRGKRZSA-N 433.468 5.759 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)cc1 467094034 HXGMPQHASIRWPY-IBGZPJMESA-N 430.321 5.758 30 20 IKED C=CCN(C(=O)c1cccc2cnccc12)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 467103342 QDHWUKOTNMQGPH-UHFFFAOYSA-N 440.355 6.498 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(-n2ncc3ccccc32)cc1Cl 469411288 CXVOKGDCTJHXCB-MRXNPFEDSA-N 446.963 6.183 30 20 IKED N#CCSc1cccc(C(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)c1 469876634 XOCUQCRWDHROSH-UHFFFAOYSA-N 430.316 6.049 30 20 IKED Cc1cnn(Cc2ccccc2F)c1NC(=O)c1cccc(OCc2ccccc2C#N)c1 470181660 ALZAUJJTUYFEMG-UHFFFAOYSA-N 440.478 5.082 30 20 IKED Cn1c(=O)ccc2ccc(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)cc21 470434521 MDQIPBUFBBJNAA-UHFFFAOYSA-N 429.863 5.108 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccccc3CCc3ccccc3)ccc21 470772884 LXUVAQJAPYBUOJ-UHFFFAOYSA-N 437.543 5.307 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 472329881 SROLSDOBDLGKSI-MFMILTCTSA-N 428.989 5.301 30 20 IKED C[C@H](Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1)c1ccccc1 472531655 CVMJENONWUWOQS-JTSKRJEESA-N 425.513 5.835 30 20 IKED Cc1ccc(-c2noc([C@@H](C)NC(=O)Nc3ccccc3SC[C@@H](C)C#N)n2)cc1F 473824922 ZQJIAAHFJKYKFJ-DZGCQCFKSA-N 439.516 5.319 30 20 IKED C[C@@H]1[C@H](C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCN1c1ccccc1 475256978 CKFUVMQLUNSXMO-CJFMBICVSA-N 425.532 5.185 30 20 IKED COC(=O)c1nc([C@H]2CCCN2Cc2cccc(OCc3cccc(C#N)c3)c2)sc1C 475347177 FZZBMBXUEHNPIC-JOCHJYFZSA-N 447.560 5.026 30 20 IKED Cc1ccc(-n2cccn2)cc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 475636051 FGPGSXVPSDYJMV-UHFFFAOYSA-N 439.494 5.426 30 20 IKED Cn1cc(CNc2cccc(C[S@](=O)C3CCCCC3)c2)c(-c2ccc(C#N)cc2)n1 478200112 SINSCIQAHONVQD-HKBQPEDESA-N 432.593 5.152 30 20 IKED C=CCn1c(SCc2nc(-c3ccccc3Cl)cs2)nnc1-c1ccoc1C 478859667 XOCIKQMCJPOTHV-UHFFFAOYSA-N 428.970 6.102 30 20 IKED Cc1ocnc1CNC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482347956 PRXOXCUTQNQFRW-LBPRGKRZSA-N 449.273 5.123 30 20 IKED C=CCN(CC1CCCCC1)C(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C 482879861 IQJOOMNPRAWGAN-UHFFFAOYSA-N 434.506 5.040 30 20 IKED N#C[C@H](C(=O)c1ccc(COc2ccc(Br)cc2)o1)c1cnc2ccccc2n1 483206268 UFYAECPQVUUELF-KRWDZBQOSA-N 448.276 5.054 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 484883485 RYISIMSFSWIFKH-NRFANRHFSA-N 430.957 5.364 30 20 IKED O=C(Nc1cc(F)cc(NC(=O)c2cc(F)c(F)cc2F)c1)c1cc(F)c(F)cc1F 485219195 ZXLWLLMCTMPPFU-UHFFFAOYSA-N 442.290 5.165 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1coc(-c2ccc(Br)cc2F)n1 488433609 WSZLRINDRNVWKK-UHFFFAOYSA-N 442.288 5.166 30 20 IKED CCCc1c(NC(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)cnn1-c1cccc(C#N)c1 488718846 WORIIPCFJAYAJF-GFCCVEGCSA-N 448.474 5.054 30 20 IKED C=C(C)Cn1c(S[C@H](C(=O)OC)c2ccc(Cl)cc2Cl)nnc1-c1ccncc1 489399530 ULFFNYQJQNJABX-KRWDZBQOSA-N 449.363 5.229 30 20 IKED O=C(Nc1cnns1)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 494685167 IOBWXSPWHQVPIY-VIFPVBQESA-N 438.275 5.001 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1nc(-c2ccco2)cs1)c1ccc(C(F)(F)F)cc1 499430665 CWEIAJYVOBMLIU-OAHLLOKOSA-N 449.454 5.184 30 20 IKED CC(C)c1ccc(N(CCCC2(C#N)CCOCC2)S(=O)(=O)c2ccccc2)cc1 499930576 UPPYQQTUHXWXLX-UHFFFAOYSA-N 426.582 5.106 30 20 IKED Cc1nc([C@@H]2CCCCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)no1 500779488 JQJBUMZPZQLSQA-QFIPXVFZSA-N 431.496 5.500 30 20 IKED C[C@@H]1CCc2c(sc3nc([C@@H](C)N4CC=C(c5ccc(C#N)cc5)CC4)nc(O)c23)C1 502548765 OXINAZHBGBVTPN-HZPDHXFCSA-N 430.577 5.244 30 20 IKED C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CC=C(c2ccc(C#N)cc2)CC1 502551690 CEEFGKNPEOHDAF-CQSZACIVSA-N 425.319 5.765 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)CCCCOc3ccc(Br)cc3)CC2)cc1 503832993 UZCNZBFKVBGGHA-UHFFFAOYSA-N 439.353 5.186 30 20 IKED Cc1nc(NC(=O)c2cc3ccccc3n2Cc2ccccc2F)sc1SCC#N 504770334 MFQPWZCHFZRNNS-UHFFFAOYSA-N 436.537 5.462 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1cccc(OC(C)(C)C)n1 506863060 BXZGRZQQMIWYRM-MRXNPFEDSA-N 429.611 5.383 30 20 IKED COCCN(Cc1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509853590 MYROAFVRLSTFDZ-UHFFFAOYSA-N 429.520 5.012 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCN(Cc2ccccc2)CC1 510872644 OVSROUFVNJIMQZ-UHFFFAOYSA-N 440.547 5.399 30 20 IKED CCOc1cc(C#N)cc(Br)c1OCc1nc(-c2ccccc2Cl)no1 511445294 PJJAEHHMMICXKP-UHFFFAOYSA-N 434.677 5.002 30 20 IKED CCCN(C(=O)c1cc(C#N)ccc1Cl)[C@@H](c1cccnc1)c1ccc(F)cc1F 511698254 NUDNHALGGMXPHN-QFIPXVFZSA-N 425.866 5.527 30 20 IKED C[C@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)Nc1ccccc1Br 513195507 CVCFSJUAPIQBCQ-HNNXBMFYSA-N 436.309 5.552 30 20 IKED CCOc1c(OC)cc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC 517903688 SWJVHLCTTMIYHD-UHFFFAOYSA-N 447.491 5.088 30 20 IKED CCOc1cc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OC(F)F 518259657 QGFVVRQPHAFUCV-CQSZACIVSA-N 435.496 5.403 30 20 IKED CC(C)(C(=O)NCCc1cccc(C#N)c1)c1csc(-c2c(Cl)cccc2Cl)n1 518350919 VMFGLNQONIQZOK-UHFFFAOYSA-N 444.387 5.625 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)cc2)nc1 518894717 TZNZZUOPYORGHJ-UHFFFAOYSA-N 432.439 5.662 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(F)cc(Br)c1 519433205 XFUHICPCQWUFCC-UHFFFAOYSA-N 447.251 5.865 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 519515617 NZWGXDLMNYNXJB-MRXNPFEDSA-N 441.512 5.134 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CSc3nnc(-c4ccc(F)cc4)o3)cc2)cc1 519993277 ALPPPMWNTSLQSH-UHFFFAOYSA-N 446.463 5.270 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccc(Cl)cc3)C3CC3)cc2)cc1 520009373 WOINMWLHFMMEKW-QHCPKHFHSA-N 445.906 5.210 30 20 IKED CCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1OCC 520429979 ZTHQVLAZKQNELT-OAHLLOKOSA-N 442.487 5.766 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 521417729 SQDQXPFAGRYBIX-FQEVSTJZSA-N 428.536 5.213 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc4c(OC(F)F)cccc4[nH]3)c2)c1 521419428 KCAVJMOLLNQOSG-UHFFFAOYSA-N 446.413 5.146 30 20 IKED Cc1ccc([C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)N(C)C)cc1 523643118 IUKOUKIOWRRVEY-AREMUKBSSA-N 444.554 5.021 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)[C@H](C)Oc2ccc(C#N)cc2)nc1-c1ccccc1 524815561 DCVFXVWBEQDVPG-AVRDEDQJSA-N 429.520 5.468 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1(c2cccc(Br)c2)CC1 524896675 CCWXQUCYSDDCOY-AWEZNQCLSA-N 430.371 5.654 30 20 IKED C=CCn1c(SCC(=O)Nc2sc(C)c(C)c2C)nnc1-c1ccc(Cl)cc1 525624940 HOXNVNRQGBEEGN-UHFFFAOYSA-N 433.002 5.502 30 20 IKED COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 536784888 NANUKPQDRZSGTG-BVZFJXPGSA-N 430.504 5.060 30 20 IKED C[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(OCc2ccc(F)cc2)cc1 537101981 KPNFGNFJZGGOEC-KRWDZBQOSA-N 428.467 5.177 30 20 IKED C=CCC[C@@H](NCc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1)c1ccccc1 537158751 ODEVXFVAIYWIOW-XMMPIXPASA-N 433.621 6.550 30 20 IKED C[C@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)c2ccccc2N(Cc2ccccc2)C1=O 538560841 YVUNCAYUOKYTEA-FQEVSTJZSA-N 435.527 5.071 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 539126957 IPCBIXPQXWBCHZ-MRXNPFEDSA-N 447.526 6.369 30 20 IKED CN(C(=O)c1ncccc1C(F)(F)F)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 541250677 AFNXTAUSRMVZMB-ZDUSSCGKSA-N 430.270 5.495 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)c(C)c2c1 542011893 DZKBPBYCYPAOMB-UHFFFAOYSA-N 446.894 5.226 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1Cc2ccccc2OC[C@H]1C 542023788 GALJUEJBEGPHTO-LJQANCHMSA-N 427.504 5.261 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(CCCn3ccnc3)CC2)cc1 542165692 KHQGLQWWLQEPBD-UHFFFAOYSA-N 430.577 5.239 30 20 IKED C[C@H](N[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1)c1ccc(-c2cccc(C#N)c2)cc1 542947167 UAZXCNWUARRTOP-IRXDYDNUSA-N 428.923 6.340 30 20 IKED C[C@H]1C[C@H](c2cccnc2)N(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 543561910 GJKZVAHPHWAIBC-UQBPGWFLSA-N 426.520 5.342 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)nnn1C(C)C 551177050 BDZGURYWFWHVAG-UHFFFAOYSA-N 429.402 5.103 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3cccc(-c4ccc5c(c4)CCO5)c3)CC2)c1 560859922 ORYRLGPWCPGBLN-UHFFFAOYSA-N 439.515 5.235 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 565806903 XYPGBPDAGADZAB-QHCPKHFHSA-N 444.501 5.204 30 20 IKED CSC[C@H]1CCCN(C(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)C1 568310159 MXXVVFVVIQNMIT-KRWDZBQOSA-N 443.638 5.240 30 20 IKED O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c1 577752134 INKNGVRRXWBGEH-CQSZACIVSA-N 444.278 5.608 30 20 IKED C[C@@H]1Oc2cc(F)ccc2[C@H]1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 580111132 UWTUXEJFBIIYCJ-FYSMJZIKSA-N 431.467 5.114 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COc1c(Cl)cc(Cl)c2cccnc12 584200536 COEMUUOOCUQMAH-CYBMUJFWSA-N 446.359 5.811 30 20 IKED Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 589367140 UOIXMLBPYPSLAZ-JOCHJYFZSA-N 430.512 5.235 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1 603755384 QVCGFKKQAHJTRP-QFIPXVFZSA-N 435.321 5.099 30 20 IKED Cc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1NC(=O)c1ccccc1 603968590 DLUSDCSPDHPDJO-UHFFFAOYSA-N 437.524 6.100 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 603974624 BIFOJWWCMOWCCP-UHFFFAOYSA-N 441.512 5.522 30 20 IKED COCCN(Cc1ccco1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604089595 GQGIGLPPYMBSTQ-UHFFFAOYSA-N 425.872 5.277 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N[C@@H](c2ccc(OC)cc2)c2ccccc2Cl)cc1 606940954 MCCVZZXXBWWQSC-QHCPKHFHSA-N 449.938 5.176 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 609078448 RFTRNBIYERNRMI-QGZVFWFLSA-N 435.474 5.949 30 20 IKED Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)s1 609318695 UNZDAVXVXIGKFA-AWEZNQCLSA-N 440.956 6.302 30 20 IKED N#CCCSc1ccccc1NC(=O)c1oc2ccccc2c1COc1ccccc1 609375706 QHLIAAQMTJZYEP-UHFFFAOYSA-N 428.513 6.270 30 20 IKED COc1ccc2[nH]cc(CCNC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)c2c1 609583606 BJFIJDKJKICNFF-UHFFFAOYSA-N 425.488 5.007 30 20 IKED C[C@@H](CC(=O)N[C@@H](C#N)c1ccccc1Br)c1cccc(C(F)(F)F)c1 609993910 BZKOVQGYTVSLIJ-SJCJKPOMSA-N 425.248 5.343 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 610209567 LPJFJFSPBURZGG-INIZCTEOSA-N 447.922 5.045 30 20 IKED N#Cc1ccc(N2CCC(N[C@@H](c3cc(Cl)cc(Cl)c3)C(F)(F)F)CC2)nc1 611995572 WPUCAKKUKGGSNS-SFHVURJKSA-N 429.273 5.122 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(-c4ccc(F)cc4)nc3C)n2)cc1 613315634 VNZVSHSWXWRVII-SFHVURJKSA-N 433.533 6.180 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 613407509 WAYRNJHXMLNLGT-FQEVSTJZSA-N 443.915 5.890 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC[C@H]1Cc1ccc(F)cc1 615682622 GXVSHCQMKNGPQG-ABFRBSLYSA-N 440.403 5.452 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1cccc(C)c1 617939777 WYWNIEUEEKYHPR-QGZVFWFLSA-N 441.000 5.829 30 20 IKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)NCc1ccc(C#N)c(Cl)c1 619827962 HLAGMJMFZSAABA-UHFFFAOYSA-N 444.322 5.037 30 20 IKED C[C@H](CC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(=O)c1cccc(F)c1 673637887 JHFKKJQMJQWEDC-RAIGVLPGSA-N 427.360 5.060 30 20 IKED N#C[C@@H](C(=O)c1ncccc1OCC(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 674485782 LAHNPPRNGHFJPF-JTQLQIEISA-N 445.344 5.141 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1nc2ccccc2s1 726318928 UEDGYUGWCROBLG-OAHLLOKOSA-N 443.475 5.858 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccc2ccccc2n1 726319081 YBDLHFXMIVIHNF-SFHVURJKSA-N 437.446 5.796 30 20 IKED O=S(=O)(Nc1ccccc1C/N=C/c1cc(Cl)cc(Cl)c1O)c1ccccc1 726428782 FFSQDCGCSORWKA-YDZHTSKRSA-N 435.332 5.119 30 20 IKED C#Cc1cccc(NC(=S)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccs2)c1 726440565 CZTFWBUKTWOSCX-HSZRJFAPSA-N 434.586 5.091 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)NCCCN(C)c1ccccc1 726485420 PVUBQDFZMXOMIT-UHFFFAOYSA-N 446.595 5.413 30 20 IKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1C1CCC1 730460346 YQSUOJVXTYMDEG-IBGZPJMESA-N 443.519 5.094 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1c(Cl)c2ccccc2n1C 731070949 YMEFCWWPVHFCFE-AWEZNQCLSA-N 441.940 5.021 30 20 IKED Cc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)ccc1Oc1cccnc1 732711283 HVWQTPSGYMEFJE-UHFFFAOYSA-N 435.940 5.602 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(SC(C)(C)C)cc2C)ccc1OC 733632053 OXZNXJAKOKWKFD-GOSISDBHSA-N 441.597 5.897 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nc2ccccc2s1 734207794 JXMXRUMCBZOBHZ-DNVCBOLYSA-N 446.963 6.488 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCc4cccc(Br)c4C3)cc2)c1 735746065 OFGUANSJBJEHIX-UHFFFAOYSA-N 448.320 5.703 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)C3(c4cccc(Cl)c4)CCOCC3)c2)s1 739594432 JFVMUUDKUYWEJA-UHFFFAOYSA-N 436.964 5.305 30 20 IKED COc1cccc(-c2nc(/C=C/C(=O)c3cnn(-c4ccc(C#N)cc4)c3C)cs2)c1 741844882 SJMZFNXJESBENO-DHZHZOJOSA-N 426.501 5.081 30 20 IKED COc1ccc(-c2cc3nc(/C(Cl)=C\c4ccc(OC)c(C#N)c4)[nH]c(=O)c3s2)cc1 741849683 ZLNFOZBWPGITKJ-LICLKQGHSA-N 449.919 5.277 30 20 IKED Cc1cccc(C2(O)CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)c1C 743128564 PXGWALNTTKOXRJ-UHFFFAOYSA-N 441.531 5.483 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1sccc1-c1ccc(F)cc1 743761654 YKRVSVIYPAEELK-RYUDHWBXSA-N 439.396 6.194 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3cc(C(F)(F)F)ccc3n2C)cc1 744034035 YLEQQLJMYWQJQK-AUUYWEPGSA-N 441.453 5.672 30 20 IKED CC(=O)Nc1ccc(NC(=S)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1 745724451 RDPYZSFSSCOXTK-UHFFFAOYSA-N 432.524 5.368 30 20 IKED Cc1cc(C(=O)N[C@H](C#N)c2cccc(Br)c2)c(C)n1[C@@H](C)c1ccccc1 749613395 UZBAYDXAFRMURG-KSFYIVLOSA-N 436.353 5.471 30 20 IKED CN(Cc1ccccc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)C(=O)OC(C)(C)C 752694807 QUKCCULOSVOBAC-GMAHTHKFSA-N 448.567 5.357 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3C[C@@H](O)c3cccs3)cc2)cc1 754404062 QYLSVJNDRGBVMQ-NFBKMPQASA-N 432.545 5.335 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)cc1 758585026 DKROLJQZWDPOBG-FPOVZHCZSA-N 447.491 5.072 30 20 IKED Cc1cc(C(=O)OCc2cc(Cl)ccc2OCC#N)ccc1NC(=O)c1cccs1 758686175 VTBXMUIEOGFBCT-UHFFFAOYSA-N 440.908 5.222 30 20 IKED C[C@H]1c2cc(Cl)c(Cl)cc2CCN1CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N 759412342 HOQDUODNZGBJEI-SUMWQHHRSA-N 437.330 5.150 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCCn2ccc3cc(Cl)ccc32)cc1Cl 760970597 UUKIDDCBCVRXEP-QGZVFWFLSA-N 444.318 5.084 30 20 IKED C=CCOc1ccc(/C=C/C(=O)N(c2ccc(F)c(Cl)c2)c2nccs2)cc1OC 764350498 MQVKEWVDFMGJEX-WEVVVXLNSA-N 444.915 5.887 30 20 IKED Cc1ccc(-n2c(-c3cccs3)nn(CN(CCC#N)CC(F)(F)F)c2=S)cc1 765048315 HCIRHSUIIGZSLL-UHFFFAOYSA-N 437.516 5.176 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CC=C(c3ccc(OCC)cc3)CC2)c1=S 768471952 RAGSKEXIKVOFOX-UHFFFAOYSA-N 447.608 5.198 30 20 IKED C[C@H](Oc1cccc2ccccc12)C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 769351260 CUJKRJPBXKWBEU-MSOLQXFVSA-N 448.544 5.041 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)cc1)c1nc2ccccc2o1 779197194 WNWQAUAFEDZJLT-LMQGHGSNSA-N 447.922 5.131 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl 780153807 KXGMRODZSPSWQC-ZDUSSCGKSA-N 428.275 5.724 30 20 IKED Cc1cc(C(=O)Nc2ccccc2O[C@@H](C)C#N)c(C)n1-c1cccc(Br)c1 781035360 ZBAATWYIDQDDPY-HNNXBMFYSA-N 438.325 5.400 30 20 IKED CC(C)(C)OC(=O)N1CCC([C@@H](NCc2ccc(C#N)cc2F)c2ccc(F)cc2)CC1 782760363 LMCSBIIBLMYWNA-QHCPKHFHSA-N 441.522 5.314 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C(F)(F)F)cnc1Cl 790803105 MOVFNLHEPMMOPA-UHFFFAOYSA-N 432.789 5.374 30 20 IKED N#CC1(CCCNc2ccc(OCc3ccccc3)c(Br)c2)CCOCC1 798389427 YRSONEHPTYWZAY-UHFFFAOYSA-N 429.358 5.541 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1cnccc1Oc1ccccc1 800401634 MBGBDONSCYGAMU-UHFFFAOYSA-N 429.263 5.202 30 20 IKED COc1ccc2ccccc2c1-c1cc(COC(=O)C2(c3cc(F)cc(C#N)c3)CC2)on1 803923759 YSHWILIQDQEKKT-UHFFFAOYSA-N 442.446 5.289 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(-c4ccccn4)nc4ccccc34)s2)cc1 875062661 UEWIZGPEHHBACH-UHFFFAOYSA-N 447.523 5.468 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=S)NCCSc3ccccc3)c2)cc1 916025622 GPEYFWRBZDSHDG-UHFFFAOYSA-N 433.602 5.410 30 20 IKED COc1ccc(C=NNc2ncnc3scc(-c4ccc(C)cc4)c23)c(OC)c1OC 916543063 GLSKHLIFVJOHRW-UHFFFAOYSA-N 434.521 5.139 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1COc2ccc(Cl)cc2C1 916908930 ORCMXRAYEMBOPU-FXAWDEMLSA-N 446.890 5.031 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(C2SCCS2)cc1 916927207 FYYQEYVWEVKZDF-CQSZACIVSA-N 437.373 5.433 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Oc1ccc(-c2ccccc2)cc1Cl 917024789 LQCYSPLSCAYZHU-UHFFFAOYSA-N 430.895 5.076 30 20 IKED COc1ccc(-c2csc3ncnc(NN=C(C)c4nc5ccccc5s4)c23)cc1 917574212 GJRAWBNYVJCSQS-UHFFFAOYSA-N 431.546 5.813 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccnc(OCc3ccccc3)c2)cc1 920111074 ISGSQKRAYPWFJA-JPYJTQIMSA-N 427.504 5.135 30 20 IKED Cc1ccc(OCc2nc(/C=C3/SC(=S)N(c4ccccc4C#N)C3=O)cs2)cc1 920471368 AATBGNFCMFGRDH-VXLYETTFSA-N 449.582 5.308 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(N2CCOC2=O)cc1 921117753 BQJYJCLRQQPEGU-QGZVFWFLSA-N 442.475 5.190 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3cccc([N+](=O)[O-])c3)CCC2)cc1 1789449129 NSCBKDFLKXITQQ-QHCPKHFHSA-N 447.535 5.040 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CSc1c(C)cccc1C)C2 1798592762 YOECLAXTTBULIB-WKCHPHFGSA-N 428.642 5.026 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2ccccc2C)[C@H]1c1cccnc1 1802501380 MUORAHCWIAXALP-AHWVRZQESA-N 447.623 5.021 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C(C)=C/c2ccc(C)o2)[C@@H]1c1cccnc1 1810497591 FAPFUYBSIZPZCY-WSQLVENTSA-N 449.595 5.085 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccsc2)[nH]n1 1814440547 UXHWHIPAGLZHMX-JBVUFVISSA-N 426.586 5.169 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ccoc23)[nH]n1 1819308900 GWZMRHWFLHVRAC-WIYYLYMNSA-N 432.524 5.230 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccccc2Cl)CC1 1828822580 JPZACZOYEUXTKG-LADGPHEKSA-N 443.031 5.271 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2OCC)CC1 1829068586 GIDQCUCLRIRUCZ-HSZRJFAPSA-N 440.628 5.311 30 20 IKED CC(C)=CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1830258107 AJCPNQHSJHMWEL-PXDATVDWSA-N 435.612 5.293 30 20 IKED CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](C)ON=C(C)C)CC2)CC1 1831562403 PVPWLBGTHUFTEL-HIGZBPRKSA-N 447.664 5.014 30 20 IKED CCc1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2cccc(CC)c2)cc1 10174488 HLVBLJYGBBZPCU-UHFFFAOYSA-O 434.541 5.058 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2)c2ccccc2)nnc1-c1ccc(F)cc1 10534346 NZJSKYKHHRMDEH-JOCHJYFZSA-N 444.535 5.742 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)/C=C/c2ccccc2C#N)cs1 11541645 PPVJLJDLSBSYMV-PKNBQFBNSA-N 431.517 5.073 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccccc2CC)[n+]2ccc(N(C)C)cc2)cc1 14871918 UYEWUKPZYBQPQB-UHFFFAOYSA-O 432.613 5.216 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)CCC)nc2scc(-c3cccs3)c2c1=O 21953651 SYAHPLVITYZCRZ-KBPBESRZSA-N 447.651 5.158 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(C3CC3)n2-c2ccccc2)c1 23513313 FXNZCFHGVMJREJ-IBGZPJMESA-N 445.592 5.189 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2cccc(C(F)(F)F)c2)cc1 23603095 LOVYPTXXAVXANT-UHFFFAOYSA-O 446.518 5.551 30 20 IKED CC(C)NC(=O)CSc1ccccc1C(=O)Nc1cccc(C#Cc2cccs2)c1 27860209 JAZWDKHSOSLJHY-UHFFFAOYSA-N 434.586 5.017 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc3ccccc3c2)nnc1-c1ccoc1C 36848957 NMGVPVQOXXYYNB-INIZCTEOSA-N 432.549 5.155 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(C)(C)c1ccc2c(c1)OCCO2 58699205 UVJUPOMXYVHJDX-UHFFFAOYSA-N 428.488 5.347 30 20 IKED CCOCCOc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 112520692 JMPTWUVTUSSGGB-UHFFFAOYSA-N 430.504 5.113 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2cc(C)c(C)cc2C)nnc1[C@@H]1COc2ccccc2O1 115027518 WZEGZPUZBYEPMI-AVRDEDQJSA-N 449.576 5.265 30 20 IKED O=C(Nc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)c(C(F)(F)F)c1)c1ccoc1 117255476 QSAJRAUYHGDFQU-UHFFFAOYSA-N 446.278 5.359 30 20 IKED C=CCn1c(-c2sc(NC(=O)C3(c4cccs4)CCCCC3)nc2C)n[nH]c1=S 303723680 BOUIUNMQTJQYNI-UHFFFAOYSA-N 445.639 5.461 30 20 IKED CC(C)(c1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1)C(F)(F)F 428444985 DVEYIDSXBYQMCY-UHFFFAOYSA-N 425.410 5.838 30 20 IKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)cc(-c3cccs3)nc21 430607629 ZFVUBHCPXIINBD-HNNXBMFYSA-N 449.605 5.985 30 20 IKED CN(c1ccccc1)c1ccc(CNc2ccc3c(c2)CCC(=O)N3CCCC#N)cn1 435783040 STHSMLWLVINORI-UHFFFAOYSA-N 425.536 5.045 30 20 IKED CCn1c([C@@H]2CCCN2CC(=O)Nc2ccccc2SC[C@H](C)C#N)nc2ccccc21 437651802 FRLNTKMCNLLMGS-GCJKJVERSA-N 447.608 5.084 30 20 IKED CCO[C@H](C)c1nc(CN(C)c2c(C#N)cnc3c(Br)cccc23)cs1 440631874 AGGHYVCYNNYUAI-GFCCVEGCSA-N 431.359 5.059 30 20 IKED Cc1nc(-c2ccc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cc2)cs1 442026912 HLPYJJMQKNKYCO-INIZCTEOSA-N 446.557 5.198 30 20 IKED Cc1nc(-c2cccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2)cs1 442693025 OGSPIAZDULMPOU-SFHVURJKSA-N 435.961 6.386 30 20 IKED CCN1CC[C@H](N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C[C@@H]1C 443914746 IIGXFIITWWKRKU-UWJYYQICSA-N 440.975 5.127 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)cc2)c1 444004799 MPRDHARYQGAIHL-UHFFFAOYSA-N 449.441 5.737 30 20 IKED Cc1cccnc1C(C)(C)CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 462440401 KKHDKQUEBKDWLR-UHFFFAOYSA-N 430.527 5.090 30 20 IKED CCOc1cc(Cc2noc([C@@H](C)c3cccc(C#N)c3)n2)ccc1OCC(F)(F)F 463055725 NJFXJEPFZNOEOW-AWEZNQCLSA-N 431.414 5.024 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1cc(Cl)cc(Cl)c1 463103040 GWECJCLZUZZYOM-UHFFFAOYSA-N 428.275 5.378 30 20 IKED C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 463722506 NDLROVXSVXALNA-UHFFFAOYSA-N 433.942 5.168 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)Cc1csc([C@H](C)OCC)n1 463997317 QSVUUYDMURJQEE-ZDUSSCGKSA-N 428.476 5.096 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)cc1Cl 464456248 QPXCIAQFMISYGG-KRWDZBQOSA-N 428.875 5.724 30 20 IKED O=C(Nc1ccccc1CCC(F)(F)F)Nc1ccc(OC(F)F)cc1OC(F)F 465167382 PODACCYYAOBQIB-UHFFFAOYSA-N 440.315 6.028 30 20 IKED CCc1cc2c(=O)n(CCc3ccccc3)c(SCCCSCC#N)nc2s1 466617713 QTLWUBHOISXBIV-UHFFFAOYSA-N 429.636 5.002 30 20 IKED Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)Nc1sc(-c3ccccc3)cc1C#N)CC2 468687848 CFBCUFUGCAYJFQ-CQSZACIVSA-N 442.466 5.148 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1 469114274 YDXYKTYQXJZSLF-UHFFFAOYSA-N 442.490 5.011 30 20 IKED N#CCCCn1cc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)c2ccccc21 469823132 XHCRQJJNKCYWCO-QGZVFWFLSA-N 437.927 5.266 30 20 IKED CCC(CC)[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccs1 470542644 PJQURXYXSDBEDL-HSZRJFAPSA-N 438.597 5.630 30 20 IKED CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470543275 LWHNSMGTMOPHCS-UHFFFAOYSA-N 445.350 5.240 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1cccnc1Oc1ccc(Cl)cc1Cl 471372521 GSBRXHRDQBPSFP-UHFFFAOYSA-N 431.279 5.721 30 20 IKED COc1cccc2c1CC[C@@H]2NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 471474675 DEADYJCBKLQGBV-DEOSSOPVSA-N 429.495 5.105 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)n1 474442186 UMOKBLQLIZCTOR-OAHLLOKOSA-N 445.470 5.233 30 20 IKED Cn1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c(-c2ccc(Cl)s2)n1 474961657 HGTRDXAUWZVUTH-JTQLQIEISA-N 431.855 5.037 30 20 IKED CN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@H]1CCSc2ccc(Br)cc21 475661177 KTQXSUKSENFUNJ-SFHVURJKSA-N 429.383 5.559 30 20 IKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 479197693 VHYOHFPJBWKWHT-ATIQYGATSA-N 445.485 5.670 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)ccc1OCc1ccc(Cl)cc1 483218916 QYOKXCFZRYQGSJ-IBGZPJMESA-N 443.890 5.361 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCCC[C@H]2c2ccc(F)cc2)cc1 483479926 FVSSHNVSFFWBII-SANMLTNESA-N 443.522 6.230 30 20 IKED COc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cccc1[N+](=O)[O-] 483483995 ICMIPOYTVHMMAZ-ZDUSSCGKSA-N 448.287 5.524 30 20 IKED C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 487178345 UBEOAHDVNOLJBJ-IBGZPJMESA-N 447.560 5.159 30 20 IKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)nnc1-c1ccccn1 488884634 CGOFPEUBXKZBRX-UHFFFAOYSA-N 445.335 5.175 30 20 IKED CC(C)(C#N)c1ccccc1CSc1nnc(-c2ccc(F)cc2)n1Cc1ccco1 489455789 NLOBAXIOYVSACC-UHFFFAOYSA-N 432.524 5.819 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(-c2noc(C(F)(F)F)n2)c1 490275074 VLTZGOGXYIUQER-UHFFFAOYSA-N 434.377 5.546 30 20 IKED CC(C)(NC(=O)Nc1cc(F)c(OC(F)F)cc1F)c1nc(C(F)(F)F)cs1 491459691 SJJQTFDRZRWTLY-UHFFFAOYSA-N 431.333 5.098 30 20 IKED CC[C@H](C)NC(=O)c1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 491502668 RTBPDRHCLQLZLX-SFHVURJKSA-N 442.519 5.201 30 20 IKED CCN(C(=O)COc1ccc(C#N)cc1OC)[C@H](c1ccc(C(C)C)cc1)c1cccnc1 496537032 QRWJGTXKWWLMPK-HHHXNRCGSA-N 443.547 5.102 30 20 IKED N#Cc1ccsc1NC(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2 498287737 LYSKDYIZVNKZFG-UHFFFAOYSA-N 436.846 5.219 30 20 IKED COc1cc(CNCc2ccc(C#N)s2)cc(Br)c1OCc1ccccc1 498374234 QLLVKEOXJKMKIV-UHFFFAOYSA-N 443.366 5.260 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1 505928613 RBFXPCYGAFPXLD-SFHVURJKSA-N 438.742 5.626 30 20 IKED C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(c2ncc(C)s2)CC1 508864793 QNFLZHKTSPRVMC-LJQANCHMSA-N 437.613 5.370 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)cc1 510993853 DSLNNOSDESDKAU-JPYJTQIMSA-N 433.552 5.414 30 20 IKED CC(C)n1c([C@H]2CCCN(C(=O)CCCCOc3cccc(C#N)c3)C2)nc2ccccc21 511454146 YPIUCNLQXFCSDC-QFIPXVFZSA-N 444.579 5.444 30 20 IKED N#C[C@@H](C(=O)c1cccc(OCc2ccc(Cl)cc2)c1)c1nc(-c2ccncc2)cs1 512970619 UBRURKRENLYBBA-NRFANRHFSA-N 445.931 5.928 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)c1 513485374 RBHVUXUTLMUCCO-JOCHJYFZSA-N 432.545 5.020 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2c(s1)-c1ccccc1OC2 514558662 BBRWPMQEMRMTTF-UHFFFAOYSA-N 439.496 5.927 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc1 515098298 HGWSXXCEPUWWQV-HSZRJFAPSA-N 432.545 5.020 30 20 IKED C=CCN(Cc1cccs1)C(=O)c1cccc(C(=O)N(CC=C)Cc2cccs2)c1 515286277 LMDXDPDTPCPVFX-UHFFFAOYSA-N 436.602 5.466 30 20 IKED Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2SC[C@H](C)C#N)c(Br)c1 517457499 XWESVBBKBYLJLY-CABCVRRESA-N 433.371 5.415 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](CC)CCC)nnc1-c1ccc(Cl)cc1Cl 519373550 XIGOQFDTOBDYNU-AWEZNQCLSA-N 427.401 5.225 30 20 IKED O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 519848923 PJPXAFRUJQHSFW-GFCCVEGCSA-N 440.319 5.091 30 20 IKED C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl 521328743 FYQXSGSNNIIJTI-SNVBAGLBSA-N 435.785 5.842 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccccc1)c1ccc(OCC)cc1 521705769 UXUIBFFGIAFGBZ-VWLOTQADSA-N 445.519 5.481 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1 521839929 PHJITSFEKFFNDV-UHFFFAOYSA-N 430.552 5.063 30 20 IKED CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 522575949 PKHCLRURMSURPL-UHFFFAOYSA-N 434.879 5.047 30 20 IKED COc1cc(CSc2nccn2Cc2ccccn2)ccc1OCc1cccc(C#N)c1 522624709 NCGZCLZQBJESNF-UHFFFAOYSA-N 442.544 5.078 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 522645260 KWBRETDSMJFZDS-XUSGNXJCSA-N 433.936 5.304 30 20 IKED C=CCCCN(C)C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 522945761 VACRNRULZQTHKK-UHFFFAOYSA-N 448.588 5.120 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H](C)O[C@H](c2ccccc2)C1 524437975 ILTUYJRZPJTSDN-FNZWTVRRSA-N 441.531 5.440 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc4nc([C@H]5CCCO5)[nH]c4c3)c2)cc1 524505486 DQCLJBRDRRDEAF-XMMPIXPASA-N 438.487 5.117 30 20 IKED Cc1cnccc1N1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)CC1 530970065 PKIKMFKNHLQWHB-UHFFFAOYSA-N 448.514 5.270 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cnc(-c2cccnc2)s1 534136814 BYCZPLBYHWOEJW-UHFFFAOYSA-N 428.492 5.371 30 20 IKED CC(C)Cn1ncnc1CN[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 543980467 STEWZRNYNJJTMC-AWEZNQCLSA-N 448.333 5.365 30 20 IKED C=C(C)Cn1c(SCc2nc(COc3ccc(Cl)cc3)no2)nnc1-c1ccco1 547117647 BEAKEIUTRSKHRY-UHFFFAOYSA-N 443.916 5.022 30 20 IKED N#CCCC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1)c1ccccc1 551829994 AUBMCFKWFSDQNX-QFIPXVFZSA-N 447.922 5.622 30 20 IKED Cc1c(C(=O)Nc2sc(-c3ccccc3)cc2C#N)nnn1-c1ccc(OC(C)C)cc1 553275957 AHGMUOIPGSJERY-UHFFFAOYSA-N 443.532 5.215 30 20 IKED CC1(C)CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)[C@@H]1c1cccs1 554132186 MAJYLBHDCYXSRM-HSZRJFAPSA-N 431.561 6.008 30 20 IKED Cc1cc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)ccc1Oc1cccnc1 554161671 ASAUYUBYWSFNTL-UHFFFAOYSA-N 446.482 5.268 30 20 IKED C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(C2CCOCC2)CC1 555268971 LWAOXFNPJZAZHN-UHFFFAOYSA-N 426.630 5.098 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCOC2(CCCCCC2)C1 558981870 PULOJGXIEDTANV-GOTSBHOMSA-N 436.600 5.029 30 20 IKED Cn1c(Sc2c(C#N)cnc3c(F)c(F)c(F)cc23)nnc1-c1ccccc1Cl 580226858 GHBDDKSTGXMIBB-UHFFFAOYSA-N 431.830 5.124 30 20 IKED COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 584811970 LKEPTXWQHSUUDS-KRWDZBQOSA-N 425.960 5.636 30 20 IKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc(-c3ccccc3)nc21 591862335 PWELBOTZGWEZAH-GOSISDBHSA-N 437.528 5.779 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc(C)c1OC(F)F 594363180 NWTFIXWUNFNFCI-ZDUSSCGKSA-N 434.414 5.797 30 20 IKED COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C(C)(C)C#N)cc2)c(OC)c1 602760543 OWGVNYBYVNXWIK-DEOSSOPVSA-N 427.504 5.276 30 20 IKED Cc1ccn2cc(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)nc2c1 604084967 PIRWEPYSKPKELW-OAQYLSRUSA-N 429.911 5.273 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H](C(=O)c4ccc(F)cc4)C3)cn2)c1 606553059 VNQCJYYXLOTWQF-IBGZPJMESA-N 444.466 5.011 30 20 IKED O=C(Nc1ccc(F)cc1OCC1CC1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 607219486 VOUZJELMYXJURD-RYUDHWBXSA-N 428.348 5.209 30 20 IKED CC(C)Cn1ncc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cnc21 609378450 MSBQUILTJGCKNS-UHFFFAOYSA-N 447.486 5.364 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(Cc2ccccc2)CC1 609381765 YFMRKSSLPJKFBX-UHFFFAOYSA-N 447.526 5.562 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 609438995 RKQOBJNQJRZAJK-LJQANCHMSA-N 444.645 5.016 30 20 IKED N#C[C@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccccc1Br 609593454 XBDZPVLQQQZEDW-FQEVSTJZSA-N 449.308 5.088 30 20 IKED N#C[C@H](NC(=O)CCc1ccc(-c2ccccc2F)o1)c1ccccc1Br 609593846 KHJXNQURXOBASB-IBGZPJMESA-N 427.273 5.162 30 20 IKED CN1CCC(N(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c2ccccc2)CC1 609723677 SHOHZVSGGMWMGE-UHFFFAOYSA-N 445.950 5.745 30 20 IKED N#CCSc1ccccc1NC(=O)CNc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609766122 XFFVUBYCYZNAAS-UHFFFAOYSA-N 434.477 5.053 30 20 IKED Cc1ccc(-c2c(C)sc3nc(CS[C@H](C)c4ccc(C#N)cc4)nc(O)c23)cc1 609825192 KZMSEULLFNIQIM-OAHLLOKOSA-N 431.586 6.547 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc(N4CCCC4=O)ccc3F)cc2Cl)cc1 610172628 QMNAUHOGUVBYDM-UHFFFAOYSA-N 449.869 5.522 30 20 IKED C[C@H](N[C@@H]1CCCc2nc(-c3ccccc3Br)sc21)c1cccc(C#N)c1 610830530 YTGDHABMGRPZBZ-IFXJQAMLSA-N 438.394 6.172 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(Br)c3Cl)cn2)cc1 611538274 MEWHFLGJSDLPCV-UHFFFAOYSA-N 428.673 5.414 30 20 IKED CCCCCn1nc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c2ccccc2c1=O 613392712 YLEPLYFVRUOKFE-HXUWFJFHSA-N 442.544 5.200 30 20 IKED Cc1ccc([C@@H](Nc2nc(C(C)(C)C)ccc2C#N)c2cccc(S(C)(=O)=O)c2)cc1 613425642 BFUORXYRUHOHHT-HSZRJFAPSA-N 433.577 5.164 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)nnc1-c1ccc(F)cc1 613937074 FPKVGRZXFYNNMU-HNNXBMFYSA-N 444.963 5.235 30 20 IKED C=CCn1c(S[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)nnc1-c1ccco1 614012307 LIWPAUYNXBXSRB-KRWDZBQOSA-N 430.533 5.830 30 20 IKED O=C(c1sc2cc(F)ccc2c1Cl)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618295171 GCORWKHTYBOOLF-OCAPTIKFSA-N 433.776 5.897 30 20 IKED O=C(c1cnc2ccccc2c1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618301332 NKTUWAYHOLBGQN-AOOOYVTPSA-N 444.297 5.457 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)nnc1-c1ccccc1F 645077408 WUIHAIJPUKPYHD-GFCCVEGCSA-N 434.899 5.182 30 20 IKED CC(C)(C)C[C@@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(F)(F)F 679305370 DSXDJTISSSJRDP-VPOLOUISSA-N 430.355 5.562 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccccc2OC)[n+]2ccc3c(c2)CCCC3)c1 726572843 PSOBJUSTGIZNDE-UHFFFAOYSA-O 441.576 5.166 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 727225793 NPAQNVMIABAKDH-UHFFFAOYSA-N 432.612 5.445 30 20 IKED COc1ccc(C)cc1-c1csc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)n1 727987699 WRCJZHIVZVGKKH-UHFFFAOYSA-N 445.500 5.423 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)cc1 729948994 ZFWUZIIWMHMOPF-UHFFFAOYSA-N 432.470 5.698 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2c(F)cccc2s1 731060685 JEGOZZZTJWVEIO-ZDUSSCGKSA-N 428.510 5.230 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1ccco1)Cc1ccccc1O 731843895 BIBZNWIPUCFYAL-GOSISDBHSA-N 435.549 5.020 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 732494175 ITPNDGMMXHIHHT-HSZRJFAPSA-N 433.467 5.540 30 20 IKED N#CCOc1ccc(COC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 733429589 NUMBDBAXEXMKFK-UHFFFAOYSA-N 432.423 5.017 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OC 733614815 CPVFVKOUPQPOFT-AWEZNQCLSA-N 441.837 5.370 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Nc2ccc(NC(C)=O)c(C)c2)cc1 733628923 IYTNAKTUCZOGTC-UHFFFAOYSA-N 430.464 5.270 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)ccc1OC 733655266 YYVJRYRFNDKZSS-INIZCTEOSA-N 436.339 5.025 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@]2(Cc3cccc(OC)c3)C[C@H]3CC[C@H]2C3)c1 735444888 YXDWJMDUMKGOPT-IQZMFCRQSA-N 432.564 5.041 30 20 IKED CCN(CC)C(=O)c1ccccc1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740443297 JZWYEFQESHYYCS-UHFFFAOYSA-N 432.549 5.090 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccc(Cl)s3)o2)cc1 741477000 WSGYHLWXERERTF-ZDUSSCGKSA-N 432.958 5.187 30 20 IKED CSc1cccc([C@@H](NC(=O)Cc2ccc(OCC#N)cc2)c2cc(F)ccc2F)c1 742803225 IAWVIOGIELZLJP-XMMPIXPASA-N 438.499 5.037 30 20 IKED C[C@@H](Nc1ccc(OCc2ccccc2F)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 743472205 BCJSHWRLQVJEAY-GOSISDBHSA-N 435.474 5.291 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccc(Br)s1 744034569 BUPCGSCANURUCA-WPRPVWTQSA-N 425.760 5.754 30 20 IKED N#Cc1ccc(CN(Cc2ncc(-c3ccc(F)cc3)o2)c2ccc3nc(O)[nH]c3c2)cc1 744405768 BLZZJXRFVGZKIW-UHFFFAOYSA-N 439.450 5.141 30 20 IKED Cc1c(C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)oc2ccc(Cl)cc12 744517678 SJPWJKGYIYOONM-CQSZACIVSA-N 428.847 5.026 30 20 IKED C[C@@H](OC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nc(Cc2ccccc2)no1 745041314 SJCAXNKYVHFOGQ-GOSISDBHSA-N 439.471 5.029 30 20 IKED CC(C)c1csc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)n1 746409981 UOTBEOOURHCCIX-UHFFFAOYSA-N 436.562 5.121 30 20 IKED N#Cc1csc(/C=C(/Cl)c2nc(O)c3c(-c4ccccc4Cl)csc3n2)c1 748440402 KLYTYBYKHSEELQ-GIDUJCDVSA-N 430.341 6.387 30 20 IKED CC(=NNc1ncnc2scc(-c3ccc(C)cc3)c12)c1ccc(N2CCOC2=O)cc1 748583175 SNJGORJMLPDZEI-UHFFFAOYSA-N 443.532 5.459 30 20 IKED O=C1/C(=C\c2nc(Cl)cs2)CC(O)(C(F)(F)F)C/C1=C/c1nc(Cl)cs1 759083038 GXWWVNFJTCMIQC-NDBDHSCESA-N 441.283 5.030 30 20 IKED N#C[C@@H](C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)c1nc2cc(Cl)ccc2s1 762068453 SGRNLNWDWFZFCU-AWEZNQCLSA-N 443.315 5.462 30 20 IKED N#Cc1cc(NC(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)c(Cl)c([N+](=O)[O-])c1 764304233 WIHGPYNJOVHSDN-UHFFFAOYSA-N 427.247 5.451 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(O)(c3ccccc3Cl)CC2)cc1 765619324 OVOUWUKUKNFTRV-UHFFFAOYSA-N 446.934 5.436 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)C[C@@H](O)c1ccc(F)cc1 765971547 ZRWKTPPWLOLSIP-MZNJEOGPSA-N 433.483 5.432 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(Br)c(C(F)(F)F)c1 768756617 QJESSIGNRJMILQ-ZDUSSCGKSA-N 449.226 5.463 30 20 IKED C[C@H](OCc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 769296843 XTPPMIKQIGMDGS-SUMWQHHRSA-N 431.344 5.898 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc2cc(Br)ccc2c1 772971295 JYKWMRKPOSFZCZ-NRFANRHFSA-N 449.348 5.688 30 20 IKED C[C@H](Nc1ccc(C(=O)OCc2ccc(C3(C#N)CC3)cc2)cc1[N+](=O)[O-])c1ccccn1 777147726 ARIVXZXNEGPPFI-KRWDZBQOSA-N 442.475 5.075 30 20 IKED COc1ccc2ccccc2c1-c1cc(CON=CC(=O)Nc2cc(F)ccc2C)on1 778026552 BUNADCZQLLPVPT-UHFFFAOYSA-N 433.439 5.092 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1OC1CCCC1 784831737 PVFXGMXQNTWNFJ-OAQYLSRUSA-N 428.488 5.131 30 20 IKED COc1cc(COC(=O)c2coc(C3CCCC3)n2)ccc1OCc1cccc(C#N)c1 786647351 GBLOJXUPXLNQAZ-UHFFFAOYSA-N 432.476 5.148 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(-c4cccc(Cl)c4)cc3C)CC2)o1 789974875 VSFFFYHASADAJG-UHFFFAOYSA-N 434.927 5.339 30 20 IKED O=C(N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1cc(C(F)(F)F)cnc1Cl 790975557 QDYWKBUUWOZJDJ-NSHDSACASA-N 448.697 5.389 30 20 IKED N#C[C@@H](C(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1nccc2ccccc12 792095238 VMCLEIZXJDCTQD-CJFMBICVSA-N 430.866 6.024 30 20 IKED CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc2ccccc12 799209781 DQQHMGKLHFSQSK-HXUWFJFHSA-N 439.487 5.098 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC([C@@H](O)c3ccccc3C)CC2)cc1 804507317 BFZPSSOILGXEIL-HHHXNRCGSA-N 440.543 5.553 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1 806263495 NVEFTKJTUWZSRD-RDPSFJRHSA-N 445.588 5.706 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3C[C@H](c4ccccc4)[C@@H]4COCC[C@@H]43)c2)s1 806842028 FKFXNJZABDBXDL-SGNDLWITSA-N 443.572 5.001 30 20 IKED Cc1nn(CC(F)(F)F)cc1C(=O)O[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F 809126561 SAEHVZYVVSUXBF-GFCCVEGCSA-N 434.258 5.233 30 20 IKED C#CCOc1ccccc1-c1noc([C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)n1 809395908 SXAYSLIPFSZIJE-SFHVURJKSA-N 442.302 5.033 30 20 IKED N#C[C@H](C(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1)c1cc(C(F)(F)F)ccn1 813211164 FIVKAKBIVMFBQR-HRAATJIYSA-N 448.416 6.088 30 20 IKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1C1CC1 916204667 CMVBKXNAOZOHPD-SFHVURJKSA-N 449.910 5.049 30 20 IKED CCCOc1c(Cl)cc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)cc1OC 916549626 VNZZAYKRSZRSET-LDADJPATSA-N 430.957 5.646 30 20 IKED COc1cccc(CO[C@@H](C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 917043345 KCXXWWFNAJTOBK-BLLLJJGKSA-N 434.439 5.105 30 20 IKED N#CCSc1ccccc1C(=O)N1CCC(CCc2cccc(C(F)(F)F)c2)CC1 918651442 MKUTXPMKECYKLS-UHFFFAOYSA-N 432.511 5.806 30 20 IKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C#Cc4ccccc4)cc3)CCC2)cc1 1787889023 ADLZGOGJDGCMNE-UHFFFAOYSA-N 447.538 5.138 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccccc3C)cc2)CCC1 1788363618 XMBQHOKAIPSSNU-UHFFFAOYSA-N 437.543 5.218 30 20 IKED CC1(C)CCC(CC(=O)NC2(c3ccc(NC(=O)c4cc(C#N)c[nH]4)cc3)CCC2)CC1 1790148340 RAAPITZCJHOCPE-UHFFFAOYSA-N 432.568 5.241 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cccc(C)c4[nH]3)CCC2)cc1 1790567191 JANYUGPZDGLRGQ-GOSISDBHSA-N 446.551 5.025 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3Cl)CCC2)cc1 1790567276 JUIUBUKYODKNDU-HNNXBMFYSA-N 445.922 5.028 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(C(F)(F)F)coc3C)CCC2)cc1 1791248198 UZWCALFWSOBLGA-CQSZACIVSA-N 434.458 5.567 30 20 IKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)Cc4ccco4)cc3)CCC2)c1 1791912648 MYLOUQNGTDQWFV-LJQANCHMSA-N 441.531 5.086 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1 1809242539 DFGDNJXUAHWVGH-URXFXBBRSA-N 445.563 5.140 30 20 IKED C=CCSCC(=O)N1CC[C@@H](CNC(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1 1812805685 SJZMTWULDVCFSE-URXFXBBRSA-N 445.673 5.003 30 20 IKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cc3ccc(F)cc3)cc2)[nH]n1 1822401236 GGFASLNARLSXNG-QHCPKHFHSA-N 446.526 5.022 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 1824144877 KWSIHALNMAFHJS-UODIDJSMSA-N 434.624 5.178 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1824145534 JGGTXTWAVVQSPP-QFQXNSOFSA-N 447.623 5.315 30 20 IKED Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(C)o1 1825881079 LXXXBVXKMKDPRJ-CJAUYULYSA-N 447.579 5.071 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCC3CCCC3)CC2)c1 1826269990 CJMNYVJYNGZRDD-RLWLMLJZSA-N 449.639 5.517 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)c(O)c(C)c2)CC1 1828829793 NUEIHJRRJAAEOL-ZEQRLZLVSA-N 438.612 5.011 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc3ccccc3o2)CC1 1829068671 JYHDDIOSWMHKQZ-OAQYLSRUSA-N 437.584 5.054 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)ccc2Cl)CC1 1830576916 LVLWLHQIZQTAOI-NZQKXSOJSA-N 446.994 5.481 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2ccc(C(C)C)cc2)cc1 11262925 NVVRGRHFBHCANR-UHFFFAOYSA-O 444.045 6.426 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)NCc2ccc(OC)cc2)cc1 22692702 COPHQHITRVAPJN-UHFFFAOYSA-O 447.624 5.199 30 20 IKED O=C(NCCc1ccc(F)cc1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 24738167 VFCNSVAGQRIRDX-UHFFFAOYSA-N 445.338 5.022 30 20 IKED CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 60692094 DQQPRPHJUXOWNV-LJQANCHMSA-N 430.573 6.129 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2N2CCOCC2)cc1Cl 61160584 BEDBLAHGFYGYAX-JOCHJYFZSA-N 431.923 5.084 30 20 IKED O=C(Nc1ccc(F)cc1Cl)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 63924001 CNTHHAMDVQJVHP-UHFFFAOYSA-N 445.718 5.614 30 20 IKED CN(C)c1nc2sc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc2s1 65072961 DNRRCSQBCUWYDQ-UHFFFAOYSA-N 448.573 5.321 30 20 IKED C=CCn1c(SCc2cc(=O)oc3cc(C)c(C(C)C)cc23)nnc1-c1ccncc1 255929803 NEJIIMMEZZPISY-UHFFFAOYSA-N 432.549 5.357 30 20 IKED C[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1ccc(NC(=O)c2ccc(F)cc2)cc1 426163177 RQFVIUGYKSHQEU-CQSZACIVSA-N 436.874 5.486 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OCC(F)(F)F)c3)n2)cc1 432455321 KAWGTTBHTBXGRE-QGZVFWFLSA-N 427.407 5.113 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)c1ccccc1 432764223 TVXAKPMWQDEOKS-QFIPXVFZSA-N 434.927 5.871 30 20 IKED COc1cc(CSCc2nncn2-c2ccccc2)ccc1OCc1cccc(C#N)c1 435890727 WTUHVSIPNXCKEO-UHFFFAOYSA-N 442.544 5.160 30 20 IKED Cc1ccc(C[C@H](NC(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccccn2)cc1 438063132 GZNBBVGOBZNKQE-XXBNENTESA-N 430.577 5.747 30 20 IKED C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 438757297 RYYJYOSEFMXXRQ-SNVBAGLBSA-N 446.337 5.097 30 20 IKED Cn1cc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C(F)(F)F)n1 439305940 RSKGYTRQECXMOC-QGZVFWFLSA-N 447.848 5.069 30 20 IKED C=CCC[C@@H](NC(=O)NCc1csc([C@H](C)OC)n1)c1ccc(C(F)(F)F)cc1 440848324 VOCKIJNZIPQDRC-SUMWQHHRSA-N 427.492 5.376 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl 442733267 PFHFSJDYFFYOBX-ZDUSSCGKSA-N 430.360 6.635 30 20 IKED N#Cc1nc(N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)ccc1C(F)(F)F 443506089 AMAIODGGFFIWIX-UHFFFAOYSA-N 437.425 5.179 30 20 IKED N#CCCCn1cc(C(=O)NCc2cccnc2Oc2cccc(F)c2)c2ccccc21 443924129 FLKYXKFWGJRXLG-UHFFFAOYSA-N 428.467 5.201 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(CO)(Cc2ccccc2)CC1 444627527 YKUULWNTRZZKQQ-UHFFFAOYSA-N 442.584 5.167 30 20 IKED CC(C)Cn1ncc(Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c1C(F)F 447669057 IOMVTGITRWQTEJ-UHFFFAOYSA-N 429.296 5.178 30 20 IKED O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)c1ccc(Br)cc1C(F)(F)F 448456911 NJNIGTKECWJJEJ-ZDUSSCGKSA-N 444.144 5.482 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)COc1ccccc1C#N 460650666 SAHLCRCSJQGZCF-UHFFFAOYSA-N 442.494 5.621 30 20 IKED Cc1cnc([C@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C2CC2)s1 466119704 XKFVKDZBXYYSNB-JOCHJYFZSA-N 432.549 5.369 30 20 IKED COc1ccc(C2CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)cc1 467711776 WDZYZDVMWJQZIC-UHFFFAOYSA-N 427.504 5.771 30 20 IKED N#Cc1nc(N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)ccc1Cl 469557994 FAZSJDDLSNYWHD-HNNXBMFYSA-N 435.755 5.222 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1 470600419 LXPVWUKOVVLCNT-KOSHJBKYSA-N 447.560 5.501 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ncoc1-c1ccccc1 478672531 OTRJTMQCNLGZTI-UHFFFAOYSA-N 438.487 5.422 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Br)cc1C(C)C 478997549 YUGTZWGHYXIPCV-UHFFFAOYSA-N 433.394 5.960 30 20 IKED N#CC[C@H](CC(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1)c1ccccc1 479567812 RIVKNEWKCCNVEC-MRXNPFEDSA-N 428.970 5.510 30 20 IKED FC(F)(F)c1cc([C@@H](NCc2ncc(Cl)s2)C(F)(F)F)cc(C(F)(F)F)c1 481026280 SFADTXOHXQITGH-LLVKDONJSA-N 442.734 6.227 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)nnc1-c1cccc(OC)c1 481358752 IWJGFALZNWBIGD-KRWDZBQOSA-N 436.581 5.382 30 20 IKED Cc1ccc2nc(COc3cccc(C(=O)[C@@H](C#N)c4nccc5ccccc45)c3)cn2c1 483188339 ABKMBDBWASGXJL-DEOSSOPVSA-N 432.483 5.260 30 20 IKED CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 486923925 FVWYTMLWFCKVEG-UHFFFAOYSA-N 440.931 5.026 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H]1CCN(CCc2ccccc2)C1 487037017 FHQCNQCNOMVXFV-JOCHJYFZSA-N 441.600 5.004 30 20 IKED C[C@@H](N[C@H](C)c1nc(C(F)(F)F)cs1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 490075844 ZMGXDSLCMFRPJI-HTQZYQBOSA-N 436.343 6.611 30 20 IKED N#Cc1ccccc1-c1ccc(CS(=O)(=O)Cc2sccc2Br)cc1 494746939 RIQMXNYCEJBSTC-UHFFFAOYSA-N 432.364 5.164 30 20 IKED C=CCn1c(SCc2ccc(Oc3ccccc3)nn2)nnc1-c1cccc(Cl)c1 498023606 BDAAIPMRGHVTFJ-UHFFFAOYSA-N 435.940 5.659 30 20 IKED O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1cc(F)c(F)c(F)c1 499240740 YLBNZSKZYGHKDL-UHFFFAOYSA-N 430.279 5.701 30 20 IKED COc1ccc(NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1Oc1ccc(C)nn1 499895441 OSDMINPWQXPVMZ-INIZCTEOSA-N 449.536 5.624 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)Nc3cccc(OCCCC#N)c3)s2)c(F)c1 500835484 HBYUCALWTAPBLP-UHFFFAOYSA-N 425.485 5.201 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCO[C@H](c2ccccc2Cl)C1 505116272 YHDYPBITMHCRTP-NRFANRHFSA-N 434.948 5.577 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 505541575 ZOHIJWPBCPDVCH-ZDUSSCGKSA-N 434.304 5.203 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)N1CCC(C)(C#N)CC1 506641265 FBVJIAOWOTWHJM-UHFFFAOYSA-N 433.531 5.889 30 20 IKED CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 506841470 FMTDVHYKFXUPIQ-UHFFFAOYSA-N 429.524 5.078 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@H]3CCSc4ccccc43)s2)cc1 510246460 ZAPLRLFTIYQCCC-INIZCTEOSA-N 439.591 5.061 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)nc2ccccc21 513667251 RXYZAHIWOXWWSM-IBGZPJMESA-N 435.405 5.874 30 20 IKED N#CCCSc1ccccc1NC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1 517440982 KTRRRSDBLDZWDA-UHFFFAOYSA-N 436.964 6.106 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 517468424 MOINOOWRGHJWIG-ZHRRBRCNSA-N 439.556 5.064 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 517518042 OYORADPDMKSKMR-JKSUJKDBSA-N 448.514 5.350 30 20 IKED C[C@H](CC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccc(C(F)(F)F)cc1 517665829 MCMCZIAOVVRAAL-YMTQGWHGSA-N 430.470 5.577 30 20 IKED N#Cc1ccccc1CSCCNC(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 518453998 WHDAAOQIPQICRN-UHFFFAOYSA-N 436.556 5.001 30 20 IKED Cc1nc2ccccc2n1Cc1cc(NC(=O)CSc2ccc(C#N)cc2)ccc1Cl 521113051 XWHAAAOXUYKNON-UHFFFAOYSA-N 446.963 5.649 30 20 IKED COc1ccc([C@H](NC(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccc(C)cc2)cc1 521257656 JSYIWGJQTCIKCH-KBMIEXCESA-N 445.588 6.167 30 20 IKED COc1ccc([C@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1Br 521810263 JVPWMIJUGRGSPI-KGLIPLIRSA-N 448.386 5.735 30 20 IKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nncn3C(C)(C)C)c2C#N)C1 524243000 OALLAXUKVAJYAJ-AWEZNQCLSA-N 445.658 5.238 30 20 IKED COc1ccc(-c2ccc(CNCc3cn(CCC#N)nc3-c3ccccc3)s2)cc1 531325340 FIHDEWSURACABX-UHFFFAOYSA-N 428.561 5.491 30 20 IKED C=CCC[C@H](NC(=O)c1ccc(N2CCC(O)CC2)cc1)c1ccc(C(F)(F)F)cc1 532737993 AHZQOYJYGVIRFD-QFIPXVFZSA-N 432.486 5.104 30 20 IKED Cc1ccc(C(=O)N[C@](C)(C#N)CCc2ccccc2)cc1NC(=O)c1ccccc1F 533505975 WWNYZZDPQZEOPV-SANMLTNESA-N 429.495 5.031 30 20 IKED CN(C)c1nnc(-c2ccc(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)cc2)o1 534242220 JKDQYWUJMNSUKW-UHFFFAOYSA-N 441.516 5.078 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1ccccc1CCC(F)(F)F 536242566 DSANZXZFXYREGR-UHFFFAOYSA-N 425.300 5.637 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccc(-c2ccc(F)cc2)cc1 536714297 JRFSAQPIRGLVSF-KRWDZBQOSA-N 447.535 5.314 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 540863722 KFCPMOQDBNLELV-IEBWSBKVSA-N 446.580 5.135 30 20 IKED COc1ccc(COCc2cccc(NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)c2)cc1 543280382 PADHCFMBWMXBST-UHFFFAOYSA-N 441.531 5.480 30 20 IKED C[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)c1cccc(NC(=O)Cc2ccccc2F)c1 543462830 OUQIXUCQDPLYHJ-HNNXBMFYSA-N 435.886 5.023 30 20 IKED N#Cc1ccc(C(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)cc1Cl 548616609 PMKGNKCSAKPQRF-MRXNPFEDSA-N 426.948 5.127 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 549328161 ZHSWUSPNVFOGRK-WZONZLPQSA-N 443.526 5.175 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CNC(C)(C)c1cccc(C(F)(F)F)c1 553026641 WYZZSAIGWCLHSJ-OAHLLOKOSA-N 435.515 5.421 30 20 IKED N#Cc1ccc(-c2nnc(N3CCC(OC4CCCCC4)CC3)n2Cc2cccs2)cc1 555442749 VZEBDWPQHRDAMJ-UHFFFAOYSA-N 447.608 5.245 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1 557595525 LENKOFXYPDTLBU-HSZRJFAPSA-N 425.525 5.349 30 20 IKED CCN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(c1ccccc1)c1ccccc1 569015691 MQABFUHKRDWOEJ-NRFANRHFSA-N 443.616 5.988 30 20 IKED Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)N1CCC(C#N)(c2ccccn2)CC1 574465416 ILPAJRCAJDSPFR-UHFFFAOYSA-N 430.939 5.800 30 20 IKED Cc1ccccc1-n1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cn1 601931385 LLLZAVRARDZIBB-HNNXBMFYSA-N 426.423 5.299 30 20 IKED CCOc1ncc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1Cl 602493495 PMZIBMMRPFJZGQ-NSHDSACASA-N 425.819 5.252 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 603527412 NJYLKPZZZINZKG-UHFFFAOYSA-N 437.443 5.015 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)CCc2nc(-c3ccsc3)no2)cc1 604003874 NKAWHHISGDBFJQ-UHFFFAOYSA-N 444.516 5.014 30 20 IKED N#C[C@@H](C(=O)c1sc2cccc(Cl)c2c1Cl)c1nc(-c2ccncc2)cs1 604005422 GUIDBYAWPWXPBC-NSHDSACASA-N 430.341 6.217 30 20 IKED N#Cc1cccc(COc2cccc(CNC[C@@H]3CCN(c4ccc(F)c(F)c4)C3)c2)c1 604459835 UYYXPNNMXYDIGF-QFIPXVFZSA-N 433.502 5.032 30 20 IKED COc1cc2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)[nH]c2cc1OC 605362352 CLIHYVUZONTDER-OAHLLOKOSA-N 437.908 5.452 30 20 IKED O=C(Nc1cccc(CC(F)(F)F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 608334487 WQYYPCDQTYMXPP-GHMZBOCLSA-N 436.318 5.822 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(OC(F)F)cc1 609079027 XPKLTXJHBCKQMF-UHFFFAOYSA-N 437.446 5.369 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2)cc1 609126804 WAMDTPCWWQBVEJ-IYBDPMFKSA-N 442.359 5.553 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H](c3ccc(F)cc3)[C@@H]3CCCO3)c2)cc1 609208420 JSDPZGAQBFCDRZ-ZEQRLZLVSA-N 431.467 5.531 30 20 IKED N#Cc1ccc(CN[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c(F)c1 609233978 FKJBRENAFHHEAN-OAQYLSRUSA-N 427.401 5.186 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@@H](c4nc5ccccc5o4)C3)c2)cc1 609659753 VGUSAEXZDCQUHD-JOCHJYFZSA-N 437.499 5.298 30 20 IKED C=CCc1ccc(OCC(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)c(OC)c1 609727114 XCXOSTNDDBQHFY-HKBQPEDESA-N 441.593 5.023 30 20 IKED C[C@H](CC(=O)N[C@H](C#N)c1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 609986259 DUEPEOIRNNDJDD-SJKOYZFVSA-N 425.248 5.343 30 20 IKED CC(C)(C)n1ncc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1C(F)(F)F 613407273 OJLNSSPNDZPHFB-JTQLQIEISA-N 426.851 5.410 30 20 IKED CCCOc1ccccc1Oc1ncccc1CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21 618808309 QCTQPSUTIRXLMK-JOCHJYFZSA-N 442.519 5.021 30 20 IKED Cn1c([C@H](C#N)C(=O)c2ccc(-n3nccc3-c3ccc(F)cc3)cc2)nc2ccccc21 619752451 PYNXMAMQSNUVGZ-OAQYLSRUSA-N 435.462 5.055 30 20 IKED Cc1cccc2sc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c(Cl)c12 619756487 CDHJBEIOGMYAME-HNNXBMFYSA-N 433.945 6.348 30 20 IKED N#Cc1ccc(CNC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)cc1Cl 619763679 OZCWIJHDZXFNHZ-UHFFFAOYSA-N 436.682 5.015 30 20 IKED N#C[C@H](C(=O)c1sc(-c2ccccc2)nc1C(F)F)c1nc2cc(Cl)ccc2s1 677792256 ZSFZOEWYZYUOCW-GFCCVEGCSA-N 445.903 6.501 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c12 679539272 ANHNONSHEPMEMP-CQSZACIVSA-N 446.463 5.674 30 20 IKED N#C[C@H](C(=O)C1(c2cccc(Br)c2)CCCC1)c1nc2cc(F)ccc2s1 730417558 OQEAGOPGJRBKJW-MRXNPFEDSA-N 443.341 5.886 30 20 IKED O=C(Nc1cccc(/C=C\C(=O)c2ccc(C(F)(F)F)nc2O)c1)c1ccccc1Cl 731564538 IOSHMDFKDLSCLB-NTMALXAHSA-N 446.812 5.608 30 20 IKED CCOCCOc1c(Cl)cccc1NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 733621706 NDANQVPJQOZPIX-OAQYLSRUSA-N 449.938 6.055 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)c1 733770118 DBHOZZIACHEAHR-IBGZPJMESA-N 448.523 5.146 30 20 IKED O=C(/C=C/c1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc(N2CCC(O)CC2)cc1 734235051 IPDOGGAPINPIKY-PKNBQFBNSA-N 441.449 5.823 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc3ccccc3o2)[n+]2cc(O)cc(Cl)c2)c1 738009131 WFVQNTZNCVDUSG-UHFFFAOYSA-O 447.923 5.384 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@@H](O)c2ccccc2Cl)c1 740929178 CZOMSYMFAAVDFM-HXUWFJFHSA-N 427.287 5.121 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](O)c2ccccc2Cl)cc1Cl 741061426 VTWITDHJMRPCLP-SIKLNZKXSA-N 440.330 5.504 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)c2cc(N3CCOC3=O)ccc2F)c1 741969620 FUHJPCFYPIHLFE-UHFFFAOYSA-N 449.869 5.154 30 20 IKED COc1cc(/C=C/C(=O)c2ccc3c(c2)COC3)c([N+](=O)[O-])cc1OCc1ccccc1 742437268 RZCXVTISXCHVKF-MDZDMXLPSA-N 431.444 5.109 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=S)NCc2ccc(OC(F)(F)F)cc2)cc1 742984525 KAMUXYZHCKWPNI-NRFANRHFSA-N 441.478 5.727 30 20 IKED CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 743216598 WLDOTIVSNYNRKH-UHFFFAOYSA-N 442.235 5.099 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 743225328 DPORXYXFFPAOQQ-QGZVFWFLSA-N 427.520 5.632 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C(C)(C)c3ccc4ccccc4c3)n2)cc1 744062180 RSICNOMNDWTOMW-QFIPXVFZSA-N 426.541 6.126 30 20 IKED C[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nc2ccccc2o1 746649242 LCPQQVQYKFANML-QGZVFWFLSA-N 427.529 5.525 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=S)NCc2ccc(Br)cc2)cc1 747647359 QTUOEEWDDGIDDW-OAQYLSRUSA-N 436.378 5.591 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2cc(C#N)ccc2O)c(OC)c1 748409953 AHQCFKWSKZSRGB-UHFFFAOYSA-N 441.487 5.001 30 20 IKED CC(C)c1ccc(-c2nc(CC(=O)NC3CCN(c4ccccc4C#N)CC3)cs2)cc1 750047785 QSSBDPOECZQQCJ-UHFFFAOYSA-N 444.604 5.133 30 20 IKED CCn1c(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)nc2ccccc21 750703960 RQKPSUQCJTYLGN-UHFFFAOYSA-N 441.491 5.050 30 20 IKED COc1cccc(NC(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])C(=O)c2ccccc2)c1 750902030 UPPSRKINVCLPGN-GIDDJLOASA-N 428.444 5.065 30 20 IKED COC(=O)[C@@H](OC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1cccc(C#N)c1 751656365 OTUNEMCUAIRDOP-KRWDZBQOSA-N 447.299 5.060 30 20 IKED COc1ccccc1Nc1nn(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)c(=S)s1 751932394 OOEPXHYHKGWNTG-MJGOQNOKSA-N 437.594 5.156 30 20 IKED C#CCN(C(=O)N[C@@H](C)CCCC(F)(F)F)[C@@H]1CCOc2ccc(Br)cc21 755298616 QRPJDDXNJPXZIB-XJKSGUPXSA-N 447.295 5.039 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NOCc3ccc(C(F)(F)F)cc3)cn2)cc1 755878505 HIHGFIJETDHNDJ-UHFFFAOYSA-N 428.370 5.018 30 20 IKED COc1cc(/C=C2\CCc3cc(SC(F)F)ccc3C2=O)ccc1OCCC(=O)O 763372904 GNOBKOMDIIRYBZ-XNTDXEJSSA-N 434.460 5.076 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)Cc1ccc(Br)cc1 765916124 PGUBIZSBZMBMEM-QRWLVFNGSA-N 441.369 5.100 30 20 IKED Clc1ccc(CSc2nncn2N=Cc2ccc(Cl)cc2Br)cc1 769796830 MXOBWKROWVGPIG-UHFFFAOYSA-N 442.169 5.522 30 20 IKED N#C[C@@H](COC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)Cc1cccs1 772737178 NXZCZMLGGABPDM-SFHVURJKSA-N 444.512 5.215 30 20 IKED C[C@@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1ccc(Oc2ccccc2)cc1 775331747 KJIZPWPJGBJXPF-JPYJTQIMSA-N 434.499 5.367 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)NCC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)cc1 775457457 HIOPAOBJFYOABP-JPYJTQIMSA-N 448.526 5.250 30 20 IKED C=CCOc1c(Br)cc(CNc2ccccc2O[C@H](C)C#N)cc1OCC 779995882 XNUZOTDDIGKQBN-OAHLLOKOSA-N 431.330 5.316 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@H](C#N)C(=O)NCc3cccc(Cl)c3)c3ccccc3n2)o1 786532095 YOGWNKWVVVMZLX-FQEVSTJZSA-N 443.890 5.096 30 20 IKED C#CCn1ccc(CN(CC)C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)cc2)n1 788585362 RUKUXBKGLOBGBU-UHFFFAOYSA-N 442.441 5.381 30 20 IKED Cc1c(Br)cc(/C=C2/S/C(=N/C3CCCC3)NC2=O)cc1Br 789129865 JPCVJSFALCNHDX-RIYZIHGNSA-N 444.192 5.023 30 20 IKED Cc1cc(Br)c(O)c(CNc2nnc(SCc3ccc(C#N)cc3)s2)c1 790518188 KDDRWPYEYKNQOF-UHFFFAOYSA-N 447.383 5.091 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N[C@H](C#N)c1ccc(Br)cc1 792970783 KLOSVNCPZNRSHC-GOSISDBHSA-N 444.329 5.099 30 20 IKED N#CC[C@@H](CC(=O)OCc1ncc(-c2cccc(Br)c2)o1)c1ccccc1 795987448 CQZQXHZVSACFNE-INIZCTEOSA-N 425.282 5.235 30 20 IKED N#Cc1ccsc1NC(=O)CCN[C@@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl 796472633 YUOSGAUVUNCPNL-INIZCTEOSA-N 441.771 5.131 30 20 IKED CC(C)C(=O)c1ccc([C@@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 802040459 GDCVUALLKPIUMT-DYVFJYSZSA-N 431.319 5.283 30 20 IKED C#C[C@H](NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)c1ccc(Cl)cc1F 805777842 MZRMEUXIXHUMFE-NHYWBVRUSA-N 445.869 5.218 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@](C)(c3ccccc3)CC2)ccc1OC 806806999 SPEUWXYOEVPYMN-GJZUVCINSA-N 435.568 5.030 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 810234726 GSOSYGAYIWSIEL-NRFANRHFSA-N 427.589 5.306 30 20 IKED N#Cc1ccc(Br)c(CNc2ccc(NC(=O)N3CCCCCC3)cc2)c1 864036530 XSURASPGEOGFJD-UHFFFAOYSA-N 427.346 5.341 30 20 IKED C=CCSc1ccccc1NC(=O)COC(=O)/C=C\c1ccc2ccc(Cl)cc2n1 912873105 LWYNCRYGXDWOFN-QXMHVHEDSA-N 438.936 5.361 30 20 IKED CC(=NOCc1ccc(C(=O)Nc2ccccc2)cc1)c1ccc(NC(=O)C2CC2)cc1 914572348 QOLWKKSURFGUMP-UHFFFAOYSA-N 427.504 5.228 30 20 IKED Cc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1NC(=O)c1ccco1 915087052 PAEPVOUTQZXMBF-HSZRJFAPSA-N 435.483 5.748 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1 915087458 TVPLAHOUFCJVFJ-XMMPIXPASA-N 426.447 5.905 30 20 IKED N#C[C@H](C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1nc2ccccc2n1C(F)F 915107950 ZBDUANCJROZXFC-NZBQLKCUSA-N 448.311 5.342 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915352320 JWTXEWCCAHTNHT-RUZDIDTESA-N 435.531 5.466 30 20 IKED COCCOc1ccc(C(C)=NNc2ncnc3scc(-c4ccc(OC)cc4)c23)cc1 915951501 DCEPLTKWUFOBBB-UHFFFAOYSA-N 448.548 5.228 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 916903477 OPTCGVRFZQIETK-VKXNWWILSA-N 446.547 6.040 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc2ccccc12 916919345 WXEIOKQYIAOUHI-RUZDIDTESA-N 446.506 5.817 30 20 IKED Cc1cc(OCCCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1Cl 916928706 RNWLSIBUSACOAA-HNNXBMFYSA-N 439.726 5.462 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/SC(=Nc3cccc(C)c3)NC2=O)cs1 917563652 RBSZZICHJNZWPI-UDWIEESQSA-N 448.573 5.336 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cccc(OC(C)C)c1 921255081 JZDHAIASULGZRR-UHFFFAOYSA-N 437.952 5.756 30 20 IKED CSc1nc(O)c(C(=O)N(Cc2ccccc2Cl)c2ccc(F)cc2)cc1C#N 1458208581 HZRNLAIXBQPUJG-UHFFFAOYSA-N 427.888 5.020 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc5sc(C)nc5c4)CCC3)cc2)C1 1785807587 LLIFUYNRMGJOHP-UHFFFAOYSA-N 431.561 5.319 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4cc(C)[nH]c34)cc2)CCC1 1789019754 VEGVEMPMFLSNFW-GOSISDBHSA-N 446.551 5.025 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792126677 KJDOZWBAPZJNJW-HXUWFJFHSA-N 427.548 5.255 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C)cc2C)[C@H]1c1cccnc1 1802495889 NXBUETWUULXQBL-UPVQGACJSA-N 433.596 5.010 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](C)Sc3ccccc3)C2)CC1 1805855044 HNTNHRDUQVUACV-FYYLOGMGSA-N 440.653 5.167 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(C)cccc2C)[C@H]1c1cccnc1 1811388368 LJKVXOOWJPWKQW-ISKFKSNPSA-N 433.596 5.010 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccnc1 1811951495 PWEGQCYLJOUECB-IZZNHLLZSA-N 445.607 5.293 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C(C)=C/c2ccc(C)o2)n[nH]1 1819488338 WGVFSEGICWSCGE-QGUORLBXSA-N 438.572 5.399 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(F)c2C)CC1 1824137380 HSVGXGVIERVAHV-DEOSSOPVSA-N 426.576 5.136 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](F)c2ccccc2)CC1 1824855923 XOMKEFMYWZQRFN-PKTZIBPZSA-N 428.592 5.309 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CC2)C1 1828456678 UISSEAINHVYDAC-YFJHUXEUSA-N 426.645 5.179 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1-c1ccc(OC)cc1 17710128 QKOGPBXQRJCVGS-INIZCTEOSA-N 433.537 5.351 30 20 IKED Cc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1NC(=O)c1ccc(Br)cc1 33246106 MEBVCFVVZWWQAY-UHFFFAOYSA-N 448.320 5.328 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 62414360 IUUZARLVJLDSMV-UHFFFAOYSA-N 434.927 5.630 30 20 IKED Cc1ccc(-c2csc3ncnc(SCC(=O)N(C)c4cccc(C#N)c4)c23)cc1 63325562 MVWOBZGCGRGHKL-UHFFFAOYSA-N 430.558 5.294 30 20 IKED COc1ccc(Cl)cc1-c1cc(NC(=O)c2occc2COc2cccc(C#N)c2)[nH]n1 97575940 WPLUJYFLESYPHK-UHFFFAOYSA-N 448.866 5.035 30 20 IKED O/C(=N\c1nc(-c2ccccc2Cl)n[nH]1)c1cn(-c2ccccc2)nc1-c1cccnc1 97576511 DWXZARVKOBYCTA-UHFFFAOYSA-N 441.882 5.009 30 20 IKED O=c1c2c3c(sc2ncn1N=Cc1sc(Nc2ccccc2)nc1Cl)CCCC3 254659218 QVYIZGMLJAAMRS-UHFFFAOYSA-N 441.969 5.073 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N(C[C@H]2CCCO2)C2CCCC2)cc1 429050943 VCQZZKCKJGPXQS-XMMPIXPASA-N 433.552 5.287 30 20 IKED C[C@H](CCC(=O)Nc1ccc(C#N)cc1Cl)CC(=O)Nc1ccc(C#N)cc1Cl 430362833 UKSVTQFMJYKAQM-CYBMUJFWSA-N 429.307 5.120 30 20 IKED CN(Cc1cccc(N(C)C)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 431560010 UXXLYUBIJMKDPV-UHFFFAOYSA-N 428.536 5.062 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)n(C2CCCCC2)c1C 433038851 LSNSHLGFZZPXDK-DEOSSOPVSA-N 431.584 5.445 30 20 IKED CC(C)Cn1ncc2cc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)cnc21 437479433 UIJDHWZDIKXVSI-UHFFFAOYSA-N 429.455 5.143 30 20 IKED COc1ccccc1OCCN(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438667262 UCAWWVSJFMZSTP-UHFFFAOYSA-N 435.455 5.041 30 20 IKED CN1C(=O)N(c2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C(=O)C12CCCC2 445925149 LLJSULKRZBOKNG-UHFFFAOYSA-N 429.398 5.081 30 20 IKED N#Cc1cccnc1OC1CCC(NC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)CC1 446629647 BDNMFEWOXIULJV-VUNKPPBISA-N 443.551 5.061 30 20 IKED CCN(C)C(=O)c1cccc(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)c1 460340498 SXTXMNQGSVMGNF-UHFFFAOYSA-N 431.923 5.151 30 20 IKED C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 460575830 PIHFNUJRYLJGIA-INIZCTEOSA-N 441.601 5.063 30 20 IKED C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 460815117 OHBURFGTWUJXBU-DNVCBOLYSA-N 439.387 5.227 30 20 IKED CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1 463398175 WQUHDDNLKJTMCN-UHFFFAOYSA-N 445.494 5.513 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(Br)ccc2C)cc1C 465454217 VEENJTSZSQNMPN-UHFFFAOYSA-N 437.341 5.404 30 20 IKED CC(C)(C)c1ccc(-c2nnc(SCCCSCC#N)n2Cc2ccco2)cc1 466615385 GDTMLCYPTRLPCP-UHFFFAOYSA-N 426.611 5.623 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@H](c3ccc(Cl)c(Cl)c3)C3CC3)ccc21 469355321 OENAGATXUQIABL-QHCPKHFHSA-N 428.363 6.140 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)Nc3ccc(NCC4CCCC4)cc3)ccc21 470556575 PARFAKHPXFQADG-UHFFFAOYSA-N 445.567 5.516 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3c[nH]c4ncc(Br)cc34)cc2)c1 472022983 TZSIFQPSYPGQPL-UHFFFAOYSA-N 447.292 5.028 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2ccccc2C(F)(F)F)nnc1-c1ccccc1OC 473783069 RHTMXWXJQUQWGN-CQSZACIVSA-N 447.482 5.522 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)c1 473790034 SWYVFUNCMNOWRF-UHFFFAOYSA-N 429.402 5.218 30 20 IKED C=C(C)Cn1c(SCC(=O)N(C)[C@@H](C)c2ccccc2Cl)nnc1-c1ccco1 480108650 WRVDTMRRVPLJQT-HNNXBMFYSA-N 430.961 5.079 30 20 IKED Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(C)C 483310355 NDLSTUYSASZBDB-DEOSSOPVSA-N 427.504 5.111 30 20 IKED N#C[C@H](C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 484560837 SVICHWBNQPWNCR-LJQANCHMSA-N 431.904 5.513 30 20 IKED C=CCSc1ccccc1NC(=O)CNc1ccc(F)c(NC(=O)Cc2ccccc2)c1 486152560 DMCJSESGKLAENU-UHFFFAOYSA-N 449.551 5.336 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3COC3CCOCC3)n2)cc1 487903135 CGCIUIPSHVESSU-QFIPXVFZSA-N 448.544 5.004 30 20 IKED Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 490499761 RLXOIICCYKVNNC-RDJZCZTQSA-N 425.945 5.106 30 20 IKED C[C@H](N[C@@H](C)c1ccc(OC(F)F)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 493505918 ARIXQYWAUCIPPM-KBPBESRZSA-N 433.524 5.168 30 20 IKED Cc1c(NC(=O)NCCSCc2ccccc2C#N)cccc1C(=O)Nc1ccccc1 498926228 DGNPIJGWXZIBMP-UHFFFAOYSA-N 444.560 5.174 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N[C@@H](C#N)c1ccccc1Cl 499971988 YIBZOLLOUOWYHJ-FQEVSTJZSA-N 447.753 5.373 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)CSCc3coc(-c4ccccc4)n3)n2)c1 501138966 YTZJACKUAFDTBU-UHFFFAOYSA-N 432.530 5.209 30 20 IKED CC(C)c1nc([C@@H]2CCCCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)no1 501361262 KQYKHUXOXXICGL-QFIPXVFZSA-N 445.523 6.006 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl 503305344 ZUAWNOVYWUXHAM-LRDDRELGSA-N 448.375 5.130 30 20 IKED Cc1nc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)sc1SCC#N 504684054 IDALESXRTFUEIP-UHFFFAOYSA-N 425.564 5.028 30 20 IKED N#C[C@H](NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccccc1Cl 505630399 GHWWQQWLGHWPRU-SFHVURJKSA-N 431.801 5.541 30 20 IKED C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 508512734 ZWDRXHLVWBTSAS-FQEVSTJZSA-N 444.963 5.127 30 20 IKED C=CCN(C(=O)c1cc(C)nc2c1cnn2[C@H](C)CC)c1nc(-c2ccccc2)cs1 508891098 AQPQPWZJWDZZPT-QGZVFWFLSA-N 431.565 5.667 30 20 IKED O=[N+]([O-])c1cc(F)c(CN[C@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)c(F)c1 509006824 MWSBSUCTJUOAHD-CQSZACIVSA-N 430.251 5.165 30 20 IKED COCCN(Cc1cccs1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510022918 HGTJVTPISVJIRI-OAQYLSRUSA-N 439.968 5.737 30 20 IKED CCC(CC)N(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H]1CCCc2cccnc21 511285361 LKOUBXNHWUYEIN-DEOSSOPVSA-N 440.547 5.849 30 20 IKED CCOc1ccc([C@H](C)NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1OCC 511804287 CNKHURXGXFJUQP-KRWDZBQOSA-N 434.492 5.019 30 20 IKED C=CCN(C(=O)c1cc(Br)c2c(c1)OCO2)c1nc(-c2ccccc2)cs1 512394515 GDHNTRZHJYWLFP-UHFFFAOYSA-N 443.322 5.134 30 20 IKED CCOc1ccccc1[C@H](CC)NC(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N 512833664 LUZJAFROEQNIOS-KRWDZBQOSA-N 437.487 5.039 30 20 IKED CNC(=O)Nc1cc(NCc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)ccc1F 512856284 MIXFQCJCCGGRDF-OAHLLOKOSA-N 439.331 5.061 30 20 IKED N#C[C@H](C(=O)c1ccc(C(F)(F)F)cc1N1CCCC1)c1ccc(C(F)(F)F)cn1 513724911 KIEJTGXUCJQJFR-HNNXBMFYSA-N 427.348 5.209 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1nc2cc(Cl)ccc2s1 516270342 SYYOKUKTEFUSBP-ZDUSSCGKSA-N 447.734 5.932 30 20 IKED COc1ccc([C@@H](CNC(=O)Nc2ccccc2S[C@H](C)CC#N)N2CCCC2)cc1 517530142 OGQMDKZDVDJKGH-XMSQKQJNSA-N 438.597 5.048 30 20 IKED C=CCN(C(=O)Nc1ccccc1SC1CCCC1)[C@H](C)c1cccc(-n2cnnn2)c1 517530549 WUZHNHVVFOPJSB-GOSISDBHSA-N 448.596 5.478 30 20 IKED Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 518067235 ROZNAHCCRODPPH-JTSKRJEESA-N 431.923 5.120 30 20 IKED COc1ccc(COc2cccc(F)c2)cc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C 519072194 MZJMCKIMOMQXHR-UHFFFAOYSA-N 447.510 5.727 30 20 IKED Cc1cc(COc2ccc(C(=O)Nc3ccc(Cl)c(C#N)c3)cc2Br)on1 520021710 KBKNGJHFPLIGHP-UHFFFAOYSA-N 446.688 5.102 30 20 IKED C[C@@H]1CCCCN1C(=O)c1ccc(NCc2cccc(OCCCC#N)c2)cc1Cl 520206643 YNDQEULKKVPVDK-GOSISDBHSA-N 425.960 5.649 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCc4c(ccc(Cl)c4Cl)C3)s2)cc1 523608972 MEOCSOUZYBIIHP-UHFFFAOYSA-N 443.359 5.503 30 20 IKED Cc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 523707615 MJHAEAXHBTUDRE-RUZDIDTESA-N 439.559 5.879 30 20 IKED Cc1ccccc1CC(C)(C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 524545030 MAIBOYRHIBSWAI-UHFFFAOYSA-N 427.548 5.783 30 20 IKED Cc1cc2cc(NC(=O)C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)ccc2[nH]1 525855034 BGLFVAVTWUONSM-UHFFFAOYSA-N 446.454 5.078 30 20 IKED CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](C#N)c3ccc(OC(F)(F)F)cc3)o2)cc1 531115754 NOABYLLLZWHNSC-SFHVURJKSA-N 428.366 5.042 30 20 IKED C=CCC[C@H](NC(=O)N[C@H]1CCN(C(C)=O)c2ccccc21)c1ccc(C(F)(F)F)cc1 535267885 DZAZPNLUEOOUML-SFTDATJTSA-N 445.485 5.510 30 20 IKED CC(C)CN(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)C1CCN(C)CC1 535616088 IAVDMIHEXMFZOY-UHFFFAOYSA-N 425.960 5.196 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 539208401 FTTNGGSEHVMWLC-UHFFFAOYSA-N 426.476 5.008 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)c12 541366049 ANMCGVPPBNDICQ-UHFFFAOYSA-N 429.568 5.295 30 20 IKED C[C@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)c(C#N)c1 542551362 QDJTWUDLZSDWSE-KRWDZBQOSA-N 429.907 5.184 30 20 IKED Cc1nc(O)c(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1-c1ccccc1 542990304 PWVISKUODBGNCN-SFHVURJKSA-N 433.511 5.792 30 20 IKED COc1ccc(CCN(Cc2ccsc2)C(=O)c2ccc(Cl)c(C#N)c2)cc1OC 543485321 NUMSFJIQYUHMQH-UHFFFAOYSA-N 440.952 5.175 30 20 IKED C=CCn1c(S[C@H](C(=O)OC)c2ccccc2C(F)(F)F)nnc1-c1cccs1 543957549 ABSOSTNRJHIZNC-HNNXBMFYSA-N 439.484 5.218 30 20 IKED C[C@@H](O)CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C1CCCCC1 544537563 XBGNPZDCMICKQO-VGOFRKELSA-N 425.960 5.543 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1ccc([S@](C)=O)cc1 549254119 QVOXIJIZTBRRBB-LJAQVGFWSA-N 449.407 5.202 30 20 IKED N#CCCC[C@@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccccc1 552313246 VVBXYIDETUPZJE-OAQYLSRUSA-N 435.911 6.565 30 20 IKED Cc1ccc([C@@H](N[C@H]2CCCc3cc(C#N)ccc32)c2cccc(S(C)(=O)=O)c2)c(C)c1 552922698 OTTITDOIPIHIMQ-SVBPBHIXSA-N 444.600 5.335 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1cccc(COc2ccc(F)cc2)c1)c1ccccc1 557362190 DAPBYBQOKFBURF-UHFFFAOYSA-N 445.494 5.070 30 20 IKED C[C@H](Oc1ccc2ccccc2c1)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cccs1 559167960 GVEZWNYCEYRQGM-ROUUACIJSA-N 431.565 5.277 30 20 IKED O=C(CC1(C(F)(F)F)CC1)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 567954162 RZYKUFMAJVWMOW-UHFFFAOYSA-N 448.338 5.768 30 20 IKED C[C@H](Sc1ncnc2sc3c(c12)CCCC3)C(=O)N(CCC#N)c1ccc(F)cc1 597405371 PLTDHCUHHHWZFL-AWEZNQCLSA-N 440.569 5.137 30 20 IKED COc1ccccc1-c1nnc(S[C@H](C#N)Cc2ccccc2)n1CCc1ccccc1 603972509 BKXKPPKNTRJXSQ-QFIPXVFZSA-N 440.572 5.423 30 20 IKED Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 609079356 YUYNAIUHHROJHO-SANMLTNESA-N 425.532 6.123 30 20 IKED N#CCCN(C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1ccc2c(c1)OCCO2 609153750 TWYCAWJLQWXQIR-UHFFFAOYSA-N 437.499 5.021 30 20 IKED C[C@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccccc1C(F)(F)F 609222056 PYUFBEMPPHGSLS-HNNXBMFYSA-N 425.410 5.808 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 609377681 CAIQHOASNCAJJK-AWEZNQCLSA-N 438.503 5.143 30 20 IKED Cc1ccc(C)c([C@H](C)N(C)C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 609438841 ZFAOSADHAVFWHK-IBGZPJMESA-N 427.504 5.126 30 20 IKED Cc1nc(CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c2ccc(F)cc2)cs1 609502292 USXZFDWNSOIXIL-UHFFFAOYSA-N 444.491 5.497 30 20 IKED Cc1ccccc1C[C@@H]1CCCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 609635975 ANVQLOBJRGRVRX-SANMLTNESA-N 439.559 5.879 30 20 IKED N#Cc1cnn(-c2ccc(C(=O)Nc3cccc(CSCc4ccccc4)c3)cc2)c1N 609702242 ZBMTWRIWGWERCI-UHFFFAOYSA-N 439.544 5.012 30 20 IKED CCc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccc(Oc3cccc(C#N)c3)nc1)CCC2 610791723 CKOHCUBXFPVKQN-IBGZPJMESA-N 433.537 5.306 30 20 IKED Cc1nc(-c2ccccc2)c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1 613404432 NGLIBWZZCAICLS-AWEZNQCLSA-N 443.475 6.237 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)n2)cc1 642281117 JPJHMDLFLQSVNT-LJQANCHMSA-N 441.512 5.762 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(OC(F)F)cc2)nnc1-c1ccc(F)cc1 669910029 UXKBOQVLAWVBTE-ZDUSSCGKSA-N 433.455 5.235 30 20 IKED Cc1cc(NC(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c(F)cc1Br 672873312 XDPGVVHLUUZYHS-HTQZYQBOSA-N 437.153 5.101 30 20 IKED O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NCc1c(F)c(F)cc(F)c1F 674457805 NPZIBCVUCKTFGD-UHFFFAOYSA-N 448.363 5.244 30 20 IKED C#CC[C@H](OC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)c1ccccn1 727775776 OYSVJTYRKAOODW-BEFAXECRSA-N 426.925 5.320 30 20 IKED Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)NCc1ccc(OCC#N)cc1 728121305 DWPQECQNUBTPIF-UHFFFAOYSA-N 435.911 5.452 30 20 IKED O=C(O)C(=O)/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)s1)c1ccc2ccccc2n1 728157534 YYERNHZRYAREIU-AQTBWJFISA-N 430.441 5.066 30 20 IKED COc1cccc([C@H](C#N)NC(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)c1OC 729434556 QDKPANVNJFOTQL-KRWDZBQOSA-N 426.925 5.389 30 20 IKED CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1C 730377293 RUPZNEJEKIZMFI-INIZCTEOSA-N 448.450 5.065 30 20 IKED O=C(/C=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)nc1O 731564545 JKLPQDNQGIYECH-UNXLUWIOSA-N 448.328 5.542 30 20 IKED Cc1cc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc(C)c1OCc1cccnc1 731644921 XGCCOHXFWPHWGN-OAQYLSRUSA-N 440.330 5.579 30 20 IKED O=C(/C=C\c1ncc(-c2cccc(Br)c2)[nH]1)c1ccc(Cl)c([N+](=O)[O-])c1 731939428 XZTCCTGHSHSZEH-SREVYHEPSA-N 432.661 5.297 30 20 IKED N#CCOc1ccccc1C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCC2 732027319 DOOPHUODTXFOPG-UHFFFAOYSA-N 431.542 5.668 30 20 IKED COc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1Br 732817122 CUOQSIXOEJCDNN-LBPRGKRZSA-N 448.386 5.099 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1)c1nc2ccccc2o1 733681093 OOBJOAODXKQVAY-XLGIIRLISA-N 449.510 5.184 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2SCc2ccccc2)c1 733843216 LMIHGHUFAMIFBY-NRFANRHFSA-N 431.561 5.982 30 20 IKED CCOc1cc(CNCc2cccc(-c3ccc(C#N)s3)c2)ccc1OCC(F)(F)F 740013351 FFRLSKIENGVOTN-UHFFFAOYSA-N 446.494 5.916 30 20 IKED N#Cc1ccc(-c2cccc(CNCc3cn(-c4ccccc4)nc3-c3cccnc3)c2)s1 740013593 HDVYKVKWWOSDEU-UHFFFAOYSA-N 447.567 5.824 30 20 IKED CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2ccccc2OC)cc1 741462039 IOTOPMJDDWGDRH-UHFFFAOYSA-N 430.533 5.190 30 20 IKED C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)OCc1nnc(-c2cccc(C#N)c2)o1 744823886 RTZSVFQPPXASBO-LLVKDONJSA-N 434.304 5.139 30 20 IKED COc1ccc(OCc2nc(/C=C/C(=O)c3ccc(-c4ccncc4)cc3)cs2)cc1 745990126 KWBXWRUMDOIWSL-IZZDOVSWSA-N 428.513 5.689 30 20 IKED C[C@@H](OC(=O)c1ccccc1-c1ccccc1C#N)c1nnc(-c2cccc(Cl)c2)o1 746244787 ILNZIEWKLZOKHT-OAHLLOKOSA-N 429.863 5.847 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 747107504 FUBQSVGOBHRUPQ-CYBMUJFWSA-N 449.841 5.443 30 20 IKED Cc1sc2nc(CS[C@H](C)C(=O)[C@H](C#N)c3nc(C(C)C)cs3)nc(O)c2c1C 747196751 BFTJHMDPICTDOX-OLZOCXBDSA-N 446.623 5.092 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 747789600 LPIDDLLJFDEQSK-QGZVFWFLSA-N 446.347 5.074 30 20 IKED Cc1nc(-c2ccc(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cc2)cs1 749211485 NMGUKHXKACCYBO-UHFFFAOYSA-N 441.516 5.499 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 749360941 AZFKJDBHQUWBDR-UHFFFAOYSA-N 437.343 5.473 30 20 IKED CCOCCOc1cc(C)ccc1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 755776536 OUPCMJLRKNJVAY-RUZDIDTESA-N 443.547 5.388 30 20 IKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C2CC(F)(F)C2)c1C 757885789 LJKQTWVHCFCMLH-LJQANCHMSA-N 443.519 5.061 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(C)n2[C@H]2CCC[C@H](C)C2)cc1 758170671 ZBWFDPOQMRVVSD-WFXMLNOXSA-N 425.602 5.074 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 760708452 WFRSNBXYVHPSEL-JOCHJYFZSA-N 425.315 5.386 30 20 IKED COC(=O)C1C/C(=C/c2cnc(Cl)c(C)c2)C(=O)/C(=C/c2cnc(Cl)c(C)c2)C1 761485130 DICBVINWOAFFKX-JTSIYALXSA-N 431.319 5.019 30 20 IKED Cc1ccc(COc2cccc(NC(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)c2)cc1 761858638 SFRYUQDPRPRXRE-VWLOTQADSA-N 427.504 5.051 30 20 IKED Cc1cccc(C)c1NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1ccc(C(C)(C)C)cc1 762440643 YURBYCISFQXCBE-UHFFFAOYSA-O 442.608 6.083 30 20 IKED COC(=O)Nc1cc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)c1 763375120 HWMIOWNSIMEKHW-HNNXBMFYSA-N 446.212 5.185 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cnn(-c2ccccc2)c1Br 764999439 GRDJTIRQXBKODL-UHFFFAOYSA-N 449.333 5.487 30 20 IKED CN(CCC#N)c1ccc(CNc2ccc(CC(=O)N3CCCc4ccccc43)cc2)cc1 770551330 RAYOMRFVHUDGEL-UHFFFAOYSA-N 438.575 5.170 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1 772258598 XIHKYOGBACOQLU-MRXNPFEDSA-N 425.554 5.609 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CC=C(c3ccc(Cl)nc3)CC2)cc1 774031809 XHUVSKZIWRFEMG-UHFFFAOYSA-N 430.895 5.720 30 20 IKED CCN(C(=O)Nc1cccc(OCC#N)c1)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 775511960 FUWAWJAYAOQZNR-LJQANCHMSA-N 429.520 5.880 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCSCc2ccnc(Cl)c2)cc1 779598943 UIPAOSCNXBBTNB-NRFANRHFSA-N 436.968 5.445 30 20 IKED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccccc3)nc3ccc(C)cc23)c1 780305183 FVMUXANRDPIMPH-HSZRJFAPSA-N 435.483 5.180 30 20 IKED COc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(Cl)c1 780327674 KHUMALZSSNHIIT-GOSISDBHSA-N 449.919 5.183 30 20 IKED COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)Nc1ccccc1O[C@@H](C)C#N 780668794 ZBPIQBPNVSVOFB-RTWAWAEBSA-N 443.547 5.651 30 20 IKED CC(=O)N(c1nc(/C=C2/CCc3[nH]c4ccccc4c3C2=O)cs1)c1ccc(F)cc1F 781550938 DAFZZNBSHTXEIH-UVTDQMKNSA-N 449.482 5.800 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1scnc1C1CC1)C(=O)c1ccccc1 782314378 SDLKUCYTIGFPLP-RCCKNPSSSA-N 430.573 6.050 30 20 IKED CC(C)(C)OCc1ccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 785183034 GRMIEWUVPATQJH-XMMPIXPASA-N 441.531 5.234 30 20 IKED C[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1ccc(N(C)Cc2ccccn2)c(F)c1 796723456 BRVHFBMVZKWWID-UGKGYDQZSA-N 431.511 5.549 30 20 IKED C=CCOc1ccc(/C=C/C(=O)O[C@@H](c2nc3ccccc3o2)C(F)(F)F)cc1OC 798242040 VRGFVJKJEFQALM-BQYDLMEBSA-N 433.382 5.261 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N(Cc3ccccc3)C[C@@H](O)c3ccccc3)cc2)nc1 804406618 IPKRBFFXGOESIQ-AREMUKBSSA-N 449.510 5.122 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc3nc(C(F)F)sc3c2)ccc1OC 806692860 VIJJNFJJSFSGQM-AWEZNQCLSA-N 446.479 5.245 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2nccc3ccccc23)cs1 811699860 YFFXSUQYVAXERH-FLIBITNWSA-N 433.920 5.925 30 20 IKED C[C@@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccc(C(F)(F)F)nc1Cl 816760699 DMSAQFWLEXIGPI-CYBMUJFWSA-N 447.848 5.022 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1 915086900 OKWKBTHBIBLSIY-XMMPIXPASA-N 436.490 5.408 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCSc2nc3ccccc3s2)cc1 915199919 PCKDCVRJHHWPTL-FQEVSTJZSA-N 429.570 6.073 30 20 IKED C=CCc1cc(C(=O)Nc2cc(OC)ccc2NC(=O)OC(C)(C)C)cc(OC)c1OC 915874129 VWUFBLZNLJOVGX-UHFFFAOYSA-N 442.512 5.040 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2cnc3sc(C)c(C)c3c2=O)cc1 916310935 RJRWVKBIIDIYRO-UHFFFAOYSA-N 439.544 5.118 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1 916949051 LDIMRFWDGNZRNF-HRAATJIYSA-N 449.938 5.789 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 916953266 BCUQNZNNIJRORO-IIBYNOLFSA-N 445.544 5.475 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1 916956024 WWWCMPBZPPYGCO-UZLBHIALSA-N 449.938 5.789 30 20 IKED CCCc1noc(CCCC(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)n1 917032727 RJPFKRDSWWMHCZ-ZWGBCBFGSA-N 438.597 5.146 30 20 IKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)N2/C(=N/Cc3ccccc3)SCC2(C)C)cc1 917556795 MZZLQPQDSNTSIA-DYYXWGBJSA-N 441.622 5.036 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(F)c(Br)c3)n2)cc1 920144430 QKGRCEXDHPXKAI-HNNXBMFYSA-N 445.313 5.139 30 20 IKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc2nc(O)oc2c1 1301770191 KTADVYBGGJZLKM-HNNXBMFYSA-N 429.501 5.188 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4c(C)noc4-c4ccccc4)CCC3)cc2)C1 1785806668 LGECDUAPMJULPS-UHFFFAOYSA-N 441.531 5.364 30 20 IKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)CC4CCCC4)cc3)CCC2)cc1 1787612818 IJGIDEOTHZLBAQ-UHFFFAOYSA-N 429.564 5.205 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccsc4)CCC3)cc2)c1Cl 1790081748 IDDUHUNXCGOYEC-UHFFFAOYSA-N 435.936 5.335 30 20 IKED CC(C)[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)c[nH]3)cc2)CCC1)c1ccccc1 1790143631 HNDHKEQUAOLVOL-XMMPIXPASA-N 440.547 5.074 30 20 IKED Cc1ccc(C)n1-c1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)S)cc3)CCC2)cc1 1791577718 RHSQAXLSVMELTJ-IBGZPJMESA-N 447.604 5.160 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCCSC4)cc3)CCC2)c1 1792287261 OYXBQWCFSHGWOT-WIYYLYMNSA-N 447.604 5.205 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3ccccc3)cc1)C2 1798339323 QMHHZSDZNBIOPX-XDZVQPMWSA-N 428.576 5.374 30 20 IKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(Cl)cc1F 1803871969 JBDKTRWUGISANK-MUJYYYPQSA-N 439.358 5.153 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccnc(C(C)(C)C)c2)n[nH]1 1816105678 QMOZFOSWTHPDEZ-OAQYLSRUSA-N 449.599 5.177 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)ccc2C)CC1 1823894941 ZOVGYTNEMZMEFK-VWNXMTODSA-N 426.576 5.136 30 20 IKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3occ(Cl)c3c2)CC1 1831851740 UYSUKOKCNLGROO-QFIPXVFZSA-N 440.971 5.123 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(\S)Nc2cccc(Cl)c2)[n+]2ccc(N(C)C)cc2)c1 10830946 FYMBGZBMTLIIPI-UHFFFAOYSA-O 439.004 5.361 30 20 IKED Cc1cccc(C)c1N/C(S)=C(/C(=O)c1ccc(C(C)(C)C)cc1)[n+]1cccc(O)c1 11153361 JOWWHKYMVXCJQY-UHFFFAOYSA-O 433.597 5.645 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1ccc(Cl)cc1 15748014 AZXRXOHLFGJOLG-OAHLLOKOSA-N 442.972 5.296 30 20 IKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1ncnc2scc(-c3ccc(F)cc3)c12 22128992 QRQGHOVSPURMNE-YEJXKQKISA-N 428.558 5.032 30 20 IKED CCOc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1OCC 26129316 QSUKHSPPCAAEQD-SFHVURJKSA-N 442.515 5.078 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 27105750 KCQKTCMXKDBYFY-UHFFFAOYSA-N 433.360 5.093 30 20 IKED Cc1ccc(-c2csc(/N=C(\O)CN(C)CC(=O)Nc3c(C)cc(C)cc3C)n2)cc1 27355007 NVSLWRKLBOAZME-UHFFFAOYSA-N 436.581 5.202 30 20 IKED COc1cccc([C@H](CNc2ccc(Cl)c(C#N)n2)c2c[nH]c3ccccc23)c1OC 111219806 UKDGXFSOGYZVHO-SFHVURJKSA-N 432.911 5.349 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc3ccccc3c2)cs1)c1ccc(F)cc1F 208894841 OCLQENOJXQQBKJ-LUAWRHEFSA-N 434.467 6.155 30 20 IKED N#CCc1ccc(NC(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)cc1 216132916 XDZFFUXOXUZRTQ-UHFFFAOYSA-N 444.844 5.352 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@@H](C(=O)c4ccc(F)cc4)C3)c2)c1 303763885 PFXZCFRLHYXVBZ-HSZRJFAPSA-N 442.490 5.011 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3ccc(OC)cc3)no2)nnc1-c1ccc(C)cc1 428016480 WXJYXDXQCPGANW-INIZCTEOSA-N 433.537 5.351 30 20 IKED C=CCN(C(=O)c1cnc(OCc2ccccc2)cn1)c1nc(-c2ccccc2)cs1 428339474 XQFHQDXBLIQNRF-UHFFFAOYSA-N 428.517 5.012 30 20 IKED COc1ccc([C@H](CNC(=O)c2cccc(SCC#N)c2)c2c[nH]c3ccccc23)cc1 431168712 JDZZYCCSTLNOHZ-QHCPKHFHSA-N 441.556 5.354 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NC3(Cc4ccc(F)cc4)CCOCC3)c2)cc1 432808198 ZXTFNPGNKILQGJ-UHFFFAOYSA-N 445.494 5.403 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 433662601 SEBLIPFSXHBUIV-UHFFFAOYSA-N 432.267 5.116 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C3(OCc4ccccc4)CCOCC3)cc2)c1 435362696 PISVKPHFBBYRFY-UHFFFAOYSA-N 428.488 5.055 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2c(-c3ccc(Cl)c(Cl)c3)noc2C)cc1 436088116 ZIRYTGTZDSMDEY-UHFFFAOYSA-N 445.306 5.517 30 20 IKED N#CCC[C@@H](NC(=O)CSc1ncnc2scc(-c3ccccc3)c12)c1ccccc1 439662840 ANENCWSEHMYPHY-HXUWFJFHSA-N 444.585 5.612 30 20 IKED CCCc1c(NC(=O)N2CCC(c3ccc(OC)cc3)CC2)cnn1-c1cccc(C#N)c1 439684454 LINUTTHRXHHICF-UHFFFAOYSA-N 443.551 5.117 30 20 IKED C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccccc2Sc2ccccc2C#N)CC1 439748645 UVXNOGGHTLILQE-IBGZPJMESA-N 442.588 5.060 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccc2c(c1)CCN2C(C)=O)c1ccc(C(F)(F)F)cc1 442199792 PAPJRAJDDAWLLI-HXUWFJFHSA-N 431.458 5.443 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 443135271 VTEJSDUZIXAUHL-LAUBAEHRSA-N 435.593 5.239 30 20 IKED N#CCSc1cccc(-c2nc(CC(=O)Nc3ccccc3Oc3ccccc3)no2)c1 445328754 VLUFVSLVEXOSFR-UHFFFAOYSA-N 442.500 5.326 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 460772021 XRDCQDGXCHPENF-BCOMRZATSA-N 428.989 5.109 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCC(=O)c1ccc(C(F)(F)F)cc1 460872436 IKHSTAXIMIUHGD-UHFFFAOYSA-N 433.455 5.037 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1cccc(SCC#N)c1 464231717 JVPRGMBVDRJHHP-UHFFFAOYSA-N 435.936 5.769 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1 465416947 LLQPTFASENUTNC-IBGZPJMESA-N 442.425 5.894 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)nnc1-c1ccoc1C 466607107 CNPSULYNXPNQSD-ZDUSSCGKSA-N 427.917 5.589 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N(Cc1cccnc1)c1cc(C)ccc1Cl 466630304 YJSBGDIMWSCMTG-UHFFFAOYSA-N 449.938 5.316 30 20 IKED N#CCSc1ccccc1NC(=O)CN1CCC(c2ccccc2C(F)(F)F)CC1 474234882 BFMBUDCTXKFPPQ-UHFFFAOYSA-N 433.499 5.139 30 20 IKED Cc1nc(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)nn1-c1c(Cl)cccc1Cl 476173443 SQJCXYGZANBSAG-UHFFFAOYSA-N 442.350 5.053 30 20 IKED C[C@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 479495957 LHYPKCXPDRKEEN-RBZFPXEDSA-N 429.467 5.183 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)c1 480077837 OQNJFGYBCMRCEK-LEWJYISDSA-N 434.442 5.481 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(Cc3ccc(F)cc3)no2)nnc1-c1ccccc1C 481375931 RFHZOUVBOGXANE-INIZCTEOSA-N 435.528 5.406 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)CCSc1ccccc1Br 482164956 QRHTVZAWKDPJLC-UHFFFAOYSA-N 441.350 5.629 30 20 IKED CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 487508650 LKPLBQLZHCILQS-HNNXBMFYSA-N 429.567 5.847 30 20 IKED CC(C)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)C(=O)Nc1ccccc1SCCC#N 488403714 CUOKYLPTYAPDHQ-QHCPKHFHSA-N 444.000 5.058 30 20 IKED C=C(C)Cn1c(S[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nnc1-c1ccncc1 489422920 GDRYMGFJFASUHF-DLBZAZTESA-N 447.564 5.020 30 20 IKED CC(C)(C)n1ncc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)c1-c1ccccc1 489735251 JUPBMPPYFCZLRL-IBGZPJMESA-N 426.442 5.319 30 20 IKED Cc1ccc(OCc2ccc(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)o2)c(C)c1 499430022 GYVLRXIKJIJVOA-IBGZPJMESA-N 439.309 5.233 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)c1ccc(NC(=O)c2cccs2)cc1 501023238 TULPRVBCUMANCV-UHFFFAOYSA-N 427.485 5.312 30 20 IKED CCOc1ccc([C@H](C)NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1OC 501820513 BUJMOTJTTFILGM-SFHVURJKSA-N 430.504 5.036 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnc(-c3ccc(F)c(F)c3)s2)cc1 502948574 JOQSMEGTCPFMHP-UHFFFAOYSA-N 439.487 5.155 30 20 IKED CC[C@@H](C)n1c(SCC(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)nnc1-c1ccccc1 504067497 ASLRAYALVOTZJY-RTBURBONSA-N 447.608 5.490 30 20 IKED Cc1nnc(-c2ccccc2C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)o1 505456556 BJCYZBQDZBJFEQ-XVPJOVGPSA-N 444.560 5.459 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 505934324 XLAUUFLILZVISE-LJQANCHMSA-N 437.446 5.723 30 20 IKED CC(C)(C(=O)NCC#Cc1ccccc1)c1csc(-c2c(Cl)cccc2Cl)n1 506101708 SOHWXEVVGLLYDL-UHFFFAOYSA-N 429.372 5.562 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1csc([C@H](C)OCC)n1 508829725 ZZUFQJLPYBDJAJ-ZDUSSCGKSA-N 435.956 5.114 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@H](c3ccccc3Cl)C2)cc1 509249847 XOHQEQAGSFVOKT-QHCPKHFHSA-N 433.895 5.609 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N(Cc3ccco3)C[C@H]3CCCO3)c2)cc1 510608372 LAQACEXFSQSMRL-RUZDIDTESA-N 445.519 5.138 30 20 IKED CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 512856277 MFNQIRKGUFUAKE-UHFFFAOYSA-N 434.517 5.095 30 20 IKED CN(C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1ccc(F)cc1 515693824 CITOYBFHTOLMTB-UHFFFAOYSA-N 431.311 5.326 30 20 IKED CCC(CC)[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccs1 517466078 JFKPVINPVIIAFE-QRWLVFNGSA-N 429.611 5.232 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1csc(-c2ccccc2)n1 518150574 HJOJWJVDSLYEMT-UHFFFAOYSA-N 447.507 6.016 30 20 IKED CC[C@@H]1CCCN(C(C)(C)CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 523620286 QFKSGNBDKRAZCU-OAQYLSRUSA-N 448.611 5.354 30 20 IKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2cccc(CCCc3ccccc3)c2)cc1 524208433 JFNXYTFGSXRGOS-UHFFFAOYSA-N 446.572 5.192 30 20 IKED N#Cc1cccc(OC2CCN(CCC(=O)Nc3ccccc3-c3ccccc3)CC2)c1 532556898 KPBCRIFZROSYKM-UHFFFAOYSA-N 425.532 5.097 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)Nc1cccc2c1CN(c1ccccn1)C2 534568210 HJTGTSVQMMULNP-KRWDZBQOSA-N 429.549 5.498 30 20 IKED CCN(Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1)[C@@H](C)c1ccc(C#N)cc1 535978686 RESBQQDXLRAARY-FQEVSTJZSA-N 446.620 6.208 30 20 IKED CC(C)Cn1ncc(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1C(F)F 537324689 FWSSCXFFISIZQX-CQSZACIVSA-N 443.338 5.529 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](CC)c2ncc(-c3ccccc3)[nH]2)cc1 541066008 UIRBXJZYDDCCID-QFIPXVFZSA-N 443.551 5.164 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 549676068 IJFBVRHULDLTIM-IBGZPJMESA-N 444.608 5.014 30 20 IKED O=C(Nc1cccnc1C(F)(F)F)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 558202476 GRNZTDWBJQWJQZ-LLVKDONJSA-N 429.267 5.127 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@H](CC(F)(F)F)C1 558982656 XAKPAIDYINXJAB-SJORKVTESA-N 438.494 5.172 30 20 IKED C=CCn1c(SCc2ncc(-c3cccs3)o2)nc2sc3c(c2c1=O)CCC3 561496182 LKYNSYAOQHKRHB-UHFFFAOYSA-N 427.576 5.142 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1ccc(Oc2cccnc2)cc1 561786679 WLRAHSLMJJDKQL-RBUKOAKNSA-N 446.576 5.557 30 20 IKED CSc1ccc(-c2nsc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)n2)cc1 565564942 BVJSFPFIGRUURQ-RTBURBONSA-N 435.578 5.231 30 20 IKED N#Cc1ccc(CNc2ccc(NC(=O)CCN3CCCCC3)cc2)c(C(F)(F)F)c1 566827147 YGMAWMSWBJBLRU-UHFFFAOYSA-N 430.474 5.004 30 20 IKED COC[C@H](NCc1ccc(OCc2cccc(C#N)c2)c(OC)c1)c1cccc(Cl)c1 578694643 AOYGAIGTRLDPRB-QHCPKHFHSA-N 436.939 5.277 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3C[C@H](c4ccccc4)[C@@H]4COCC[C@H]43)cc2)cc1 587829708 GZFLNQRCPXXHIV-KWXIBIRDSA-N 438.527 5.190 30 20 IKED COC(=O)CCSc1cc(Cl)ccc1NCc1ccc(C#N)cc1OC(F)F 600857033 VIVWIQDJJQVFIC-UHFFFAOYSA-N 426.872 5.080 30 20 IKED Cc1ccccc1OCCCN(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 604084777 JMRQRILGZZBIHZ-UHFFFAOYSA-N 443.547 5.573 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)cc1 608923203 FDMBXXLLDQSQIW-LJQANCHMSA-N 445.485 5.349 30 20 IKED Cc1cc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)ccc1NC(=O)c1ccco1 609059821 MZPCNRPNDOWEPO-UHFFFAOYSA-N 441.443 5.136 30 20 IKED COc1cc(CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc(OC)c1 609061476 OOIAUUZMEHVGGK-UHFFFAOYSA-N 430.504 5.034 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@H](C)c1cccc(Cl)c1 609079324 WMXVXESTZMGBNO-GOSISDBHSA-N 433.939 6.324 30 20 IKED Cc1ccc(-n2ncc(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)c2C)cc1 609172902 GDJHGUQCANNPDU-AREMUKBSSA-N 436.515 5.063 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1cccc(Br)c1 609378588 XHDKXDWRCREUCM-UHFFFAOYSA-N 443.288 5.655 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 609433486 AZOPTNNCOJJMKI-UHFFFAOYSA-N 445.394 5.581 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(CCO)CCc3ccccc3)cc2Cl)cc1 609578776 JIGFKIHVPGCXIJ-UHFFFAOYSA-N 435.911 5.073 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1OC 609642085 QIPLBXMUAZEGMD-GOSISDBHSA-N 430.504 5.036 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)NCc2ccc(C#N)cc2F)c1C 609810250 OTYRZXNTKUMFHN-UHFFFAOYSA-N 432.286 5.128 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(Oc2nccs2)c1 609907448 WZFRYKJHHVASQC-UHFFFAOYSA-N 449.479 6.212 30 20 IKED COc1ccc2c(c1)OCC[C@@H]2NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 610323334 WHDOPXVIJOTDOH-NRFANRHFSA-N 445.475 5.013 30 20 IKED Cc1cccc(C)c1OCc1nnc(SCc2ccnc(C#N)c2)n1-c1ccccc1 610957160 YQSDHLQEVWOJRL-UHFFFAOYSA-N 427.533 5.022 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(OCc4ccccc4F)CC3)cc2)c1 611261379 VYNRLXXWJGKDDO-UHFFFAOYSA-N 445.494 5.703 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(Cc1cccc(F)c1)C1CC1 616089943 JEJXDXXPGCFTCS-NHAGDIPZSA-N 426.376 5.409 30 20 IKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(CC(F)(F)F)CC1 622590692 OOQMIIPBCZITNX-UHFFFAOYSA-N 437.302 5.294 30 20 IKED CC1(C)CN(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC[C@H]1C(F)(F)F 682849300 NKPHCZPHZFHOMI-NOOOWODRSA-N 442.366 5.516 30 20 IKED COc1ccc(C(C)=NNc2nc(-c3ccccc3)cs2)cc1CSc1ncccn1 725730159 PCIMBIRTKAYBPJ-UHFFFAOYSA-N 447.589 5.737 30 20 IKED COc1ccc(C(C)=NNc2ncnc3scc(-c4ccc(F)cc4)c23)cc1NC(C)=O 726423528 IJFAHWWLZIJQOD-UHFFFAOYSA-N 449.511 5.301 30 20 IKED CCN(C(=O)Cc1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1)c1ccccc1 726469958 SKNDDQXABNUNNG-UHFFFAOYSA-N 448.979 5.616 30 20 IKED N#CC(CCOC(=O)c1csc(-c2ccc(O)cc2)n1)(c1ccccc1)c1ccccc1 726646364 VJGVIBPTBYWKGG-UHFFFAOYSA-N 440.524 5.572 30 20 IKED O=C(/C=C\c1ccccc1OCc1cccnc1)c1ccc(OC(F)F)cc1OC(F)F 728156150 BYLCPZCDPUGYEX-YFHOEESVSA-N 447.384 5.760 30 20 IKED Cc1cc(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)c(C)n1-c1ccc(C#N)cc1 728268865 WAWMYTWPXMRCJO-UHFFFAOYSA-N 426.442 5.303 30 20 IKED N#C[C@H](C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1nc(O)c2c3c(sc2n1)CCCC3 728764533 SBLXIMABYPPSCF-HUUCEWRRSA-N 445.466 5.188 30 20 IKED C[C@@H](OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1c(F)cccc1F 729432085 UPTDPYDTPLQCGJ-MRVPVSSYSA-N 441.274 5.186 30 20 IKED N#C[C@H](C(=O)[C@H](Oc1cc(Cl)ccc1Cl)c1ccccc1)c1nc2ccccc2o1 730398693 LMULUBDDVVCHRH-OPAMFIHVSA-N 437.282 6.131 30 20 IKED N#C[C@@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1nc2cc(F)ccc2s1 730694372 AEROHGQWNMQPOU-LBPRGKRZSA-N 449.454 5.873 30 20 IKED CC(C)CC(=O)Nc1ccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 733622523 UQIZLMPEYQPPOA-XMMPIXPASA-N 426.520 5.971 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)OCC(=O)Nc2ccccc2Cl)c1 735164324 UQUUANUFSCHMBQ-UHFFFAOYSA-N 441.270 5.453 30 20 IKED O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1c(Cl)nc2sccn12 741846521 BOQZQXNPNQMNAU-CMDGGOBGSA-N 445.935 5.252 30 20 IKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 744032162 HILBGHLYTKKFKI-KFWWJZLASA-N 425.674 5.237 30 20 IKED Cc1occc1-c1nn(CN(Cc2ccc(C#N)cc2)C(C)C)c(=S)n1-c1ccccc1 746033800 YRPFTHQCTUGUIN-UHFFFAOYSA-N 443.576 5.711 30 20 IKED COc1cc(/C=C/C(=O)c2cnn(-c3ccc(F)cc3)c2C)ccc1OCC(F)(F)F 750910814 VXVSKYHOFRIDKF-YCRREMRBSA-N 434.389 5.166 30 20 IKED CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 751544258 VVXFIOUDNYSMPY-HSZRJFAPSA-N 448.498 5.108 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)cc1 752183173 CLSNVYAOCRATNP-FGZHOGPDSA-N 431.923 5.681 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2csc(-c3ccccc3)n2)cc1 753876828 GGRXRDRVJATKGG-XMMPIXPASA-N 438.556 5.830 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c(F)cc(Br)cc2F)cc1 755166496 QLYMVAOAORAVFH-QGZVFWFLSA-N 427.248 5.635 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2C)c1 757001749 PUSNYSADQPGVIY-GOSISDBHSA-N 442.441 5.015 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](CO)c2ccc(C(F)(F)F)cc2)cc1 759910898 KALZEPCPYPCXQF-VXKWHMMOSA-N 439.437 5.216 30 20 IKED C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 765945701 MMPHQSODBROPHC-AVRWGWEMSA-N 447.510 5.104 30 20 IKED N#CCSc1ccccc1NC(=O)CNc1ccc(OCC(F)F)c(C(F)(F)F)c1 766774847 MQCIDJMGHVHENW-UHFFFAOYSA-N 445.413 5.016 30 20 IKED Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl 770312270 YVADPZKKAQMRES-UHFFFAOYSA-N 440.912 5.463 30 20 IKED COc1cc2c(cc1NC(=O)CCCC(=O)Nc1ccccc1C#N)oc1ccccc12 770400828 PZPBIJFOQOUHRS-UHFFFAOYSA-N 427.460 5.214 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H](C)c2sc(-c3ccccc3F)nc2C)ccc1OC 772977907 CWYYYVAPXZBPIB-CRAIPNDOSA-N 439.556 5.798 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)O[C@H](C#N)Cc1ccc(F)cc1F 774343561 XNHYJMJZGBJVIV-AWEZNQCLSA-N 437.229 5.527 30 20 IKED CCO[C@@H]1C[C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)[C@@H]1Oc1ccccc1 776473563 BRSFRXBCACXVAG-ZJSPYRCASA-N 441.531 5.089 30 20 IKED Cc1ccc(SC2CCCC2)c(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c1 776709165 RJXKLGJILKHJFC-UHFFFAOYSA-N 435.593 5.115 30 20 IKED CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 777299216 AUBWFMWZVBHWMX-DMZKTXOQSA-N 449.523 5.348 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1ccccc1Oc1cccc(Br)c1 780163721 MEOTWEDYOJSQCR-OAHLLOKOSA-N 437.293 5.785 30 20 IKED Cc1cc(CN(C)C(=O)Nc2ccccc2O[C@@H](C)C#N)cc(C)c1OCC(F)(F)F 780675292 CCLOTBFIWOKXIF-INIZCTEOSA-N 435.446 5.199 30 20 IKED CC(C)N(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1O[C@H](C)C#N 780679919 ZBDTXHPRJUUGCS-CQSZACIVSA-N 434.309 5.322 30 20 IKED N#C[C@H](C(=O)NCc1ccc(F)c(F)c1)C(=O)c1sc2cc(Cl)ccc2c1Cl 786572547 WRKLLEIBNHFYRU-LBPRGKRZSA-N 439.270 5.125 30 20 IKED C#CC[C@@H](NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1 787151573 HRJFBIXIXHFKQE-LJQANCHMSA-N 428.319 5.247 30 20 IKED COCC[C@@H](Cc1cccc(Br)c1)C(=O)[C@H](C#N)c1nccc2ccccc12 792093977 BTUWMZUQTIFESL-GHTZIAJQSA-N 437.337 5.069 30 20 IKED CC(C)(C(=O)NCc1ccc(C#N)c(Cl)c1)[C@H](O)c1ccc(OCc2ccccc2)cc1 801523071 ALUHDRYZQWRFLN-XMMPIXPASA-N 448.950 5.167 30 20 IKED N#CCSCCCOC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 805483603 WEHMBDKLEVMCAU-AUPQCFOMSA-N 443.453 5.299 30 20 IKED CC(C)(C)OC(=O)N1CCCc2c(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)cccc21 813214781 DJCNHEUBVXLCCP-QGZVFWFLSA-N 445.441 5.278 30 20 IKED CC(C)(C)OC(=O)N[C@@H](C=NNc1nc(Cl)c(Cl)cc1Cl)CC(F)(F)F 814741408 ZVMGULRZXOXARJ-SSDOTTSWSA-N 435.661 5.285 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(Cl)c3c(c2)OCCO3)cc1 915350110 HFTGZRVBGFJRKH-HXUWFJFHSA-N 433.895 5.088 30 20 IKED Sc1nnc(SCc2ccccc2)n1N=Cc1ccc(-c2nc3ccccc3s2)o1 916368965 YBYTVFHYFQPLSG-UHFFFAOYSA-N 449.586 5.611 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 916897567 OXGPXNYCJZYTHU-GOSISDBHSA-N 443.450 5.027 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CSc1ccc(C(C)C)cc1 916898866 DZVNGHPSGACCHW-KRWDZBQOSA-N 430.957 5.220 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2nc3ccccc3s2)o1 916901955 ACZFUOJAYFDYFV-QGZVFWFLSA-N 443.528 5.642 30 20 IKED CC(=O)c1ccc(-c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)o2)cc1 916927150 DKNKOEWKLCTWLN-INIZCTEOSA-N 441.270 5.417 30 20 IKED CCOc1c(Cl)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc([C@@H](C)CC)cc2)cc1OC 916947214 GVZOJZNOMMLZTM-KBXCAEBGSA-N 428.916 5.222 30 20 IKED FC(F)(F)c1ccc(-c2nc(C=Nn3c(S)nnc3-c3cccs3)cs2)cc1 918709462 LKSHVSMQGZTUAO-UHFFFAOYSA-N 437.497 5.320 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccc(-c4ccccc4)o3)n2)cc1 920138386 GSRZWCFAHCGVRT-NRFANRHFSA-N 428.513 5.888 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccccc3OC(F)(F)F)n2)cc1 920139410 TYEAJOZVRDDWKG-YRYLYKBFSA-N 444.434 5.607 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)c(Cl)c3)n2)cc1 920143591 RWKUUFGJUMSORY-OAHLLOKOSA-N 433.316 5.381 30 20 IKED Cc1[nH]c2ccccc2c1C1=CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 920341714 FQDRNSOTRCJQEC-AREMUKBSSA-N 446.554 6.453 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5ccoc5s4)cc3)CCC2)cc1 1788415849 YQFZKNJTXFXOOQ-UHFFFAOYSA-N 441.512 5.427 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cn(C)nc3C(F)F)cc2)CCC1 1788841416 YKMZYYIGWALSRO-UHFFFAOYSA-N 444.526 5.098 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccccc3C(F)(F)F)CCC2)cc1 1791586047 NLXQJEUYVFOWMF-UHFFFAOYSA-N 428.454 5.257 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCCCCC(=O)OC)cc2)CCC1 1791662603 TUQVFQCRPMOMPU-UHFFFAOYSA-N 442.600 5.236 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3cccnc23)[nH]n1 1819305441 JEGXFDBEPCKORG-DENIHFKCSA-N 443.551 5.032 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](CCC)n2cccc2)[nH]n1 1819305863 PTYOBEWZOWBMAM-FCEUIQTBSA-N 437.588 5.013 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nc(C(C)C)cs2)[nH]n1 1819553205 ZUGUENIFTNIVHH-SFHVURJKSA-N 443.617 5.288 30 20 IKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 1824500879 OOIIMYRBQOLUGI-QLBJFCOMSA-N 446.676 5.051 30 20 IKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 1828459967 PQHJAVBAWCCWMU-DFXJHMEVSA-N 426.645 5.016 30 20 IKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(Cl)c2)CC1 1832609589 MRJZVCJOZYZEFF-QHCPKHFHSA-N 429.004 5.075 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccc(Cl)cc1 8877497 YXRGJGDIHZURIW-HNNXBMFYSA-N 440.956 5.106 30 20 IKED Cc1cccc(-c2nnc(SCc3cn4ccccc4c3C#N)n2Cc2ccco2)c1 14728727 CYYNEPFORHLHIG-UHFFFAOYSA-N 425.517 5.312 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 23182362 FZFQOOOTHBELJD-UHFFFAOYSA-N 432.483 6.122 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 26838299 IIQIWLMMFARZOR-UHFFFAOYSA-N 428.517 5.269 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)nc2sccc2c1=O 36801852 LRNQLRNYUUOLBL-LSDHHAIUSA-N 427.595 5.277 30 20 IKED COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1OCCCC#N 64613150 JJVSLSCFYRIJCI-DEOSSOPVSA-N 447.922 5.802 30 20 IKED CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 301218849 UMXLIZYAWWURGI-UHFFFAOYSA-N 438.499 5.724 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 303255242 DAQDBVWRCUKDGR-CQSZACIVSA-N 437.956 5.302 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)cc2)c1 303393018 YKTPAUGBWRQZIF-JOCHJYFZSA-N 440.528 6.329 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 410253949 DNWVGSJLOCSOBV-LJQANCHMSA-N 444.510 5.042 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 430309108 ZHXAHNGWVMJCGK-FQEVSTJZSA-N 430.321 5.143 30 20 IKED N#CCCC[C@H](NC(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21)c1ccccc1 431877824 MGGLYIWBZPZHEZ-DQEYMECFSA-N 425.532 5.912 30 20 IKED CSC[C@@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 432854997 UCDZFYUQCJISBT-GOSISDBHSA-N 429.973 5.398 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1cc(Br)ccc1N1CCCC1)c1ccccc1 433257834 DXONUSCRPLRWST-LJQANCHMSA-N 441.373 5.606 30 20 IKED CCCc1c(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cnn1-c1cccc(C#N)c1 440076402 SQZRDZHJWNSBSO-UHFFFAOYSA-N 448.954 5.037 30 20 IKED CN(CCC#N)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 444031222 MXQVNBZNTXZVFG-UHFFFAOYSA-N 436.381 5.149 30 20 IKED Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1cn(CCCC#N)c2ccccc12 444051048 RFJNOLJASCEYQM-LJQANCHMSA-N 442.563 5.378 30 20 IKED C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCc2cc(Cl)c(Cl)cc2[C@H]1C 460789693 ZAFYSNKUVZIXLA-OAHLLOKOSA-N 428.367 5.271 30 20 IKED C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H]1c1cccc(C)c1C 460933364 PDNBTHZSWQXNDX-QFIPXVFZSA-N 440.551 5.128 30 20 IKED C=C(C)Cn1c(-c2ccoc2)nnc1N(CCC)Cc1nnc(-c2ccccc2Cl)o1 460944225 PWISRCBJKYBSQT-UHFFFAOYSA-N 438.919 5.234 30 20 IKED Cc1ccccc1[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCO1 461845937 VVGRDTMIXASTPO-ISKFKSNPSA-N 427.552 5.036 30 20 IKED C[C@@H](NC(=O)N1CCC(c2noc(C3CC3)n2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 463313786 LBGUMZADOQKFKV-QGZVFWFLSA-N 441.535 5.136 30 20 IKED CC(C)c1c(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cnn1-c1cccc(Cl)c1 464473312 GQVZXQOMQGIPED-MRXNPFEDSA-N 432.833 5.553 30 20 IKED CCNc1ccc(C#N)cc1NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 469937099 CDOMXIFEFNMBSJ-QFIPXVFZSA-N 446.938 5.143 30 20 IKED C=CCNc1ncc(C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)s1 474059450 SLWDSEDQYFUZJZ-UHFFFAOYSA-N 447.442 5.003 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCNC(=O)[C@@H]1c1c(F)cccc1Cl 475575740 SFZWHKPLVKQVIL-NRFANRHFSA-N 429.923 5.036 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)C[C@@H](CC#N)c3ccccc3)C2)n1 477090213 OJYPKHPQBPOLFX-NHCUHLMSSA-N 445.588 5.612 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(Cl)cc3OC(F)F)CC2)c(F)c1 480237742 REHXGSBVALGKPC-UHFFFAOYSA-N 439.821 5.027 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)nn1-c1ccc(Cl)cc1 480937817 GUJZXMLDETZWCY-OAHLLOKOSA-N 425.826 5.069 30 20 IKED O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cnn(-c2ccccc2F)c1C(F)(F)F 482226629 OYIYMRKSFINUFF-AAEUAGOBSA-N 437.359 5.129 30 20 IKED N#CCCCCNC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482350504 MIMBUWKSWUCICG-GFCCVEGCSA-N 435.290 5.321 30 20 IKED N#CC[C@H](CC(=O)N(Cc1ccccn1)c1ccc(Br)cc1)c1ccccc1 483357987 LVYGRWBLEOXKQP-LJQANCHMSA-N 434.337 5.465 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(C(=O)N4CCCCC4)c3)c2)cc1 483442203 UFHXOSYZXDBIJE-UHFFFAOYSA-N 425.488 5.229 30 20 IKED Cc1ccccc1-n1nc(C)c2cc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)sc21 483460352 XUWZHBNZKQSWCH-INIZCTEOSA-N 440.450 5.608 30 20 IKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1Cl)c1cccc(C(F)(F)F)c1 490461971 WSMPEJCZCOWBJU-QGZVFWFLSA-N 437.849 5.073 30 20 IKED N#Cc1cccnc1OC1CCC(NC(=O)Nc2ccc3nc(C(F)F)sc3c2)CC1 490685027 PSEXLUOCADJEBH-UHFFFAOYSA-N 443.479 5.012 30 20 IKED C=C[C@@H]1CCCCN1C(=O)NC[C@@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 491833836 XCJNQONMZHQZSX-GCJKJVERSA-N 433.552 5.067 30 20 IKED CC(C)n1c([C@@H](C)NC(=O)c2occc2COc2cccc(C#N)c2)nc2ccccc21 495535577 TWNRGWYMIRBQCF-QGZVFWFLSA-N 428.492 5.152 30 20 IKED CCc1nc(C)c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)s1 496245233 MCOBTXXQWWUMNF-UHFFFAOYSA-N 436.484 5.204 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC1(c2cccc(Br)c2)CC1 497613641 WLNBUQQXHKCRIZ-UHFFFAOYSA-N 445.405 5.046 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)cc1 499423682 SQCWXBITRRNGBF-QHCPKHFHSA-N 445.950 5.121 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 500892390 NCCGNDYABAQOHO-OAQYLSRUSA-N 434.506 5.722 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3nnc(SCc4ccccc4)s3)CC2)cc1 503626895 RVRRXIWLYHXNGF-UHFFFAOYSA-N 433.562 5.023 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccn2Cc2cccs2)cc1 505651104 JGXVPQVUBYKYNP-UHFFFAOYSA-N 429.501 5.523 30 20 IKED N#Cc1cccc(-c2nnc(CNc3cccc(-c4ccc(Br)cc4)c3)o2)c1 506306352 BHLZGOJSGGWQNC-UHFFFAOYSA-N 431.293 5.650 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccccc1-c1ccccc1C#N 511580625 XYJJIUBGZZRLGN-UHFFFAOYSA-N 429.479 6.450 30 20 IKED CCOC(=O)c1ccc(C#N)c(S[C@@H](C)c2ncc(-c3ccc(Cl)cc3Cl)o2)n1 512781533 SOECFDHTKKRDSM-NSHDSACASA-N 448.331 5.945 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)N(CCc1ccccc1)c1nc2ccccc2s1 514607756 IEYZBWIOHUFDNU-SFHVURJKSA-N 427.529 5.211 30 20 IKED C[C@@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)C(=O)N1CCC[C@H]1c1cccs1 514962396 NARPBJSHDNOWQG-BEFAXECRSA-N 449.601 5.608 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 515333995 LFHVALSGDZRBBS-UHFFFAOYSA-N 439.340 5.510 30 20 IKED C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(=O)N1CCc2sccc2C1 515736161 SRKXPFMGSATILK-HNNXBMFYSA-N 437.952 5.451 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nc(-c2ccncc2)cs1 517674100 AGYQDYNGXRXFEN-HNNXBMFYSA-N 444.491 5.499 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccccc4Cl)C3)cc2)c1 520941700 XOILIGZVHUSZGW-QHCPKHFHSA-N 433.895 5.609 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCc2ccc3ccccc3n2)cc1 521692039 JFKPHFFSVLKLLM-UHFFFAOYSA-N 436.515 5.244 30 20 IKED C=C(C)COc1cc(CNC2(c3cccc(Br)c3)CCOCC2)ccc1OC 522255085 ZDPPZVSFZJKFPY-UHFFFAOYSA-N 446.385 5.208 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(NC[C@H]4CCCO4)c(F)c3)c2)cc1 523514078 OWDYKLRBQMQVAZ-JOCHJYFZSA-N 431.467 5.333 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CC[C@@H](c4ccc(Cl)cc4)C3)c2)c1 523622880 FLSDNCIVIFJMRQ-HXUWFJFHSA-N 444.922 5.485 30 20 IKED Cc1cccc([C@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C 523770481 WSHBANFTCNQEDU-FDDCHVKYSA-N 445.950 5.428 30 20 IKED Cc1nnc(-c2ccccc2NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)o1 523878355 NJMJWSSOECWKIL-UHFFFAOYSA-N 430.851 5.615 30 20 IKED CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 524828614 LBDGALMPJUWQFR-RUZDIDTESA-N 428.536 5.846 30 20 IKED N#CCCN(C(=O)CN[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cccc(Cl)c1 537075543 WBUFFCCEXFRTAB-SFHVURJKSA-N 427.829 5.009 30 20 IKED CN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1CCSc2ccc(Br)cc21 539615243 JHANIWUXCVMPLQ-GOSISDBHSA-N 427.367 5.313 30 20 IKED C[C@H](NC(=O)N[C@H](C)c1noc(-c2ccccc2)n1)c1ccc(-c2cccc(C#N)c2)cc1 541144249 AFBBQIPIXCVTQP-ZWKOTPCHSA-N 437.503 5.397 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1OC1CCCC1 541352813 DYFMDZZIYQFEPB-HXUWFJFHSA-N 443.528 5.502 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 543357474 VKOVEBVXULTOHV-SFHVURJKSA-N 430.508 5.401 30 20 IKED Cn1cc(-c2ccc(F)c(C(=O)N[C@H](c3ccccc3C(F)(F)F)C(F)(F)F)c2)cn1 543854123 HMYWOSDSNLSMFW-QGZVFWFLSA-N 445.338 5.278 30 20 IKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1Cl 548281595 PJHOZPPFLUCEEE-GOSISDBHSA-N 436.726 5.152 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cnn1C(C)(C)C 549170606 ADVXZDDEECKHEP-CQSZACIVSA-N 433.364 5.867 30 20 IKED N#Cc1ccc(-c2nnc(N3CCC(c4cccc(Cl)c4)CC3)n2C[C@H]2CCCO2)cc1 549476828 SPBNEDRTVYSJDF-HSZRJFAPSA-N 447.970 5.033 30 20 IKED CC(=O)Nc1ccc(-c2csc(NC(=O)c3sc4ccc(C#N)cc4c3C)n2)cc1 550862643 ZTLKWVQKPSSZKU-UHFFFAOYSA-N 432.530 5.416 30 20 IKED CC(C)(c1ccc(NC(=O)C(=O)N[C@H](CCCC#N)c2ccccc2)cc1)C(F)(F)F 551831207 VGDUKVDCACZUTN-LJQANCHMSA-N 431.458 5.016 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H](CCO)c3ccc(Cl)cc3)c2)cc1 554398551 UEVHPVUFCHGMHD-DEOSSOPVSA-N 449.938 5.230 30 20 IKED C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC(OC(C)C)CC1 554634583 YDTGBSBLTNPWAO-SFHVURJKSA-N 432.996 5.268 30 20 IKED CC(C)(C)Oc1c(F)cc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1F 557959700 XMNFZMCMLPTTIK-UHFFFAOYSA-N 429.467 5.089 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccccc1C(F)(F)F 574443674 URMUOXUFPHNIHG-AWEZNQCLSA-N 426.398 5.647 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)cc1 592727900 RIGYLNBXJPNEPZ-UHFFFAOYSA-N 449.938 5.408 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)COC(c3ccccc3)c3ccccc3)cn2)cc1 603765470 VSFMWFAOKTWAIA-UHFFFAOYSA-N 435.483 5.490 30 20 IKED C=CCn1c(SCc2ccn(C(C)C)n2)nc2scc(-c3cccs3)c2c1=O 604839695 XJSNPCJIGAMYCW-UHFFFAOYSA-N 428.608 5.442 30 20 IKED CC(C)CC(=O)Nc1ccc(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F 607805369 YXLSEDNKTVDEHZ-STQMWFEESA-N 442.375 5.013 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CSc1nc2ccccc2o1 609061448 CICHLOCHDATNOO-UHFFFAOYSA-N 429.501 5.318 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3cc(Br)cs3)cn2)cc1 609326875 VCXOFHYSFQTKSM-UHFFFAOYSA-N 428.311 5.141 30 20 IKED Cc1cc(Oc2ccccc2)ccc1NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 609451945 BGKXNAOZBQLTSB-UHFFFAOYSA-N 430.483 5.152 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(OCc4cscn4)c3)cc2)nc1 609503337 PIDNRHYWMDDFNW-UHFFFAOYSA-N 428.473 5.033 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)c2ccc(Sc3ccccn3)cc2)CC1 609509282 YXSQHGFBXQWDTJ-UHFFFAOYSA-N 429.545 5.224 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCSC[C@H]1c1ccccc1 609681959 FNNOWVSJBXAGAB-VWLOTQADSA-N 443.572 5.768 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1)C(C)C 609744424 FVOIAWXAYNGEDC-UHFFFAOYSA-N 442.519 5.751 30 20 IKED COC[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccc(C(F)(F)F)c1 609827086 UJYXPQVHLHYCDD-KSSFIOAISA-N 437.487 5.609 30 20 IKED CCN(C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@@H](C)c1ccc(F)cc1 609941323 AFRVFZNTHKSYHP-KRWDZBQOSA-N 431.467 5.038 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CSc2cc(Cl)ccc2Cl)c1C 610054799 YPLLXFYTCGFYLZ-UHFFFAOYSA-N 431.348 5.398 30 20 IKED CC(=O)N1CCCCC[C@@H]1C1CCN(Cc2cccc(OCc3ccccc3C#N)c2)CC1 611271492 GDCXGYZGBFCICF-MUUNZHRXSA-N 445.607 5.140 30 20 IKED C[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 612566656 UONZQLZELPGDMF-AWEZNQCLSA-N 439.393 5.643 30 20 IKED N#C[C@@H](C(=O)c1csc(Cc2ccccc2)n1)c1nc(-c2c(F)cccc2F)cs1 620304646 ZGIDVWBFJJDTCA-AWEZNQCLSA-N 437.496 5.626 30 20 IKED N#C[C@@H](C(=O)c1cccc(OC[C@H]2CCCO2)c1)c1nc(-c2ccc(Cl)cc2)cs1 642281740 HQUFFBYRNDNSHZ-UXHICEINSA-N 438.936 5.511 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccc3ccccc3c2)o1 643101521 ALZYSERMWVZTCO-INIZCTEOSA-N 435.574 5.647 30 20 IKED N#C[C@@H](C(=O)c1cc(Cc2ccccc2)[nH]n1)c1nc2cc(C(F)(F)F)ccc2s1 671278981 SINRZCSMANMMMS-HNNXBMFYSA-N 426.423 5.119 30 20 IKED Cc1nc(-c2ccccc2)ncc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 675908481 NNFYKSQDHNFFNJ-HNNXBMFYSA-N 438.434 5.571 30 20 IKED CC(C)Cn1ncc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1C(F)F 677559201 DZAXIYXMTHJVQG-LLVKDONJSA-N 442.413 5.595 30 20 IKED O=C(N[C@@H](C1CCCCC1)C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 681495059 FSPCUHTXHCLETG-TUAOUCFPSA-N 428.339 5.270 30 20 IKED N#C[C@@H](COC(=O)c1oc2ccccc2c1CSc1ncccn1)Cc1ccc(F)cc1 726330100 YOEUKJKHLLNEKP-KRWDZBQOSA-N 447.491 5.193 30 20 IKED O=S(=O)(c1ccc(NN=Cc2sc(Oc3ccccc3)nc2Cl)cc1)C(F)F 726425099 YNCCIPQOSVWDLQ-UHFFFAOYSA-N 443.884 5.031 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3sccc3NC(=O)c3ccncc3)c2)cc1 729375983 ZFWIQWBIAGFRHU-UHFFFAOYSA-N 440.484 5.312 30 20 IKED C=C(C)CN1CCC(NC(=O)c2sc3cc(Br)ccc3c2Cl)CC1 729977137 JUEIVVIUHCEAHD-UHFFFAOYSA-N 427.795 5.088 30 20 IKED N#C[C@H](C(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1ccc2ccccc2n1 730071693 QKPXBDHUJBCDAR-UQBPGWFLSA-N 430.479 6.223 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F 730177342 KDNNZVFDRFWKAF-UHFFFAOYSA-N 429.882 5.895 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(CC2CC2)C(=O)N[C@H]1c1csc(C2CC2)n1 731431160 XHIIGOMGPLURFN-IBGZPJMESA-N 427.957 5.151 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC[C@@H](O)c3ccc(Cl)cc3Cl)cc2)cc1 732299325 MPKRIJZRFSFJJR-JOCHJYFZSA-N 441.314 5.315 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)ccc1OC 733648201 SBUUZDNNLVDMEJ-UGKGYDQZSA-N 427.520 5.102 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1 733851708 HVICQPQERMZAGK-RTBURBONSA-N 434.565 5.066 30 20 IKED C=CCn1c(=S)sc2c(=O)n(CC/C=C\c3ccc(Br)cc3)cnc21 735230455 LPSDFGKABVNUPQ-HYXAFXHYSA-N 434.384 5.041 30 20 IKED COc1cc(CN(C)Cc2cc(Cl)ccc2OCC#N)ccc1OCc1ccccc1 735307006 WPHMZRNDYWVRPX-UHFFFAOYSA-N 436.939 5.462 30 20 IKED C[C@H](NC(=O)CSCc1cc(Cl)ccc1OCC#N)c1ccc(Cl)cc1Cl 735317460 AEUSXALGPMXHPT-LBPRGKRZSA-N 443.783 5.660 30 20 IKED N#CCOc1ccc(Cl)cc1CSCc1cccc(C(=O)NCc2ccco2)c1 735318036 IHDISWVOGPMNJR-UHFFFAOYSA-N 426.925 5.199 30 20 IKED C=CCCCN(C)Cn1nc(-c2cccnc2)n(-c2ccc(Br)cc2)c1=S 736589586 JGGPXRWJHQCPSE-UHFFFAOYSA-N 444.402 5.083 30 20 IKED Cc1ccc(C)n1-c1nc(CC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cs1 739589889 FIAVAWQZUKRXEC-UHFFFAOYSA-N 432.574 5.010 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 741447747 OTRJKLVMFFOXNX-MSUUIHNZSA-N 434.561 5.102 30 20 IKED CC(=NN[C@@H](C)c1ccc(C(C)C)cc1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741762664 QGORMCNCBDBXOT-HNNXBMFYSA-N 426.504 5.221 30 20 IKED CC(=NNc1c(F)cc(F)cc1Br)c1ccc(NC(=O)NC(C)C)cc1 741767643 LCKSLRFBDRUYHV-UHFFFAOYSA-N 425.277 5.093 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c1 746251837 NWGYJBUMYQSRCX-RSXGOPAZSA-N 444.506 5.005 30 20 IKED Cc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1N1CCOC1=O 746350226 XBCFKMQSDLZLAV-UHFFFAOYSA-N 447.878 5.521 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Br)nc2)cc1Cl 746515551 QZECXTXHJBYXIN-KRWDZBQOSA-N 426.701 5.405 30 20 IKED C=CCOc1ccc(C(=O)O[C@H](C)c2ccccc2NC(=O)c2ccccc2)cc1OC 748016716 ZWHSKLUTDDKEAA-GOSISDBHSA-N 431.488 5.430 30 20 IKED CCCOc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cs2)cc1 750391354 PXOPXRGKDBZZGD-LJQANCHMSA-N 443.528 5.594 30 20 IKED CCOc1cc(/C=C2\CCc3cc(O)ccc3C2=O)ccc1OCC(=O)Nc1ccccc1 750553803 AJHADRIAHRCCSN-XSFVSMFZSA-N 443.499 5.021 30 20 IKED Cc1csc(SCc2ccc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc2)n1 752033753 CKKMMDIHUNDCPC-VXKWHMMOSA-N 433.602 5.656 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccc(F)cc2)C2CCOCC2)cc1 755221214 VSGJTBXQDBDUSO-SANMLTNESA-N 443.522 5.694 30 20 IKED C=C[C@H](CC(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1)c1ccccc1 758913360 JBPIMLFMLQUAMC-OAQYLSRUSA-N 448.588 6.156 30 20 IKED CN(C(=O)Cc1cccc(OCC#N)c1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 760464586 KDZORDHRMCVFDS-UHFFFAOYSA-N 441.409 5.001 30 20 IKED N#Cc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)s1 762442320 IXJJKWUMRZFLQB-YWEYNIOJSA-N 427.312 6.075 30 20 IKED N#CCOc1ccc(CNC(=O)N2CCC(=Cc3cc(Cl)ccc3Cl)CC2)cc1 763608100 KLCPUVXPIBHICJ-UHFFFAOYSA-N 430.335 5.285 30 20 IKED CC(C)CN(Cc1ccccc1Br)C(=S)Nc1ccc(C#N)c(Cl)c1 764528271 XUWDAQDLAVUBBD-UHFFFAOYSA-N 436.806 5.829 30 20 IKED C=CCn1c(-c2cccc(OC)c2)nn(CN2CCC[C@H]2c2ccccc2OC)c1=S 764974057 WCXLHASRJSUMOW-NRFANRHFSA-N 436.581 5.079 30 20 IKED C#CCCN(CC(F)(F)F)C(=O)c1ccc(COc2ccccc2Br)cc1 767206322 TYGVSZRTRWGPAF-UHFFFAOYSA-N 440.259 5.056 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(O)(c3ccccc3)CC2)cc1Cl 767610723 NEWSDOLTLVJVCR-QHCPKHFHSA-N 445.950 5.511 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)c1 775974524 KMDWRLPLIMCCLZ-WMZOPIPTSA-N 425.838 5.124 30 20 IKED Cc1ccc(C2(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CCOCC2)cc1 779193742 HQIBFKGDQHBHKM-QGZVFWFLSA-N 444.478 5.548 30 20 IKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1nccc2ccccc12 792104287 XLPMSFVCYZBBDT-GOSISDBHSA-N 436.298 6.006 30 20 IKED N#C[C@H](C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1cnc2ccccc2n1 792107265 AGHWOZKJDUYPDJ-CPJSRVTESA-N 443.959 5.982 30 20 IKED CC(C)(C)OC(=O)NC1[C@H]2CCC[C@H]1CC(C(=O)[C@@H](C#N)c1nc3ccccc3s1)C2 796753376 LDPMSIXPBYDWRN-ZSTSXUAQSA-N 439.581 5.192 30 20 IKED CC(C)(C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl)c1csc(-c2cccs2)n1 799971346 CHKSOQBORFNSBW-UHFFFAOYSA-N 432.914 5.221 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](F)c3ccc(C(F)(F)F)cc3)n2)cc1 802052943 HENMQDSXXJEEFW-FUHWJXTLSA-N 434.414 5.725 30 20 IKED Cc1ccc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)c(-c2cnn(C)c2)c1 802705475 IBDOOFFQAAWRMN-UHFFFAOYSA-N 439.544 5.025 30 20 IKED Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccc(C#N)c(Br)c3)c2Cl)cc1 808870661 JIXVZNRSSDIWLF-UHFFFAOYSA-N 443.732 5.088 30 20 IKED Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)[C@H](C#N)c2nc3ccccc3n2C)cs1 810520157 UCIWGYDVOMUVNX-KRWDZBQOSA-N 432.524 5.298 30 20 IKED N#C[C@H](C(=O)Cc1cncn1Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 810530936 DAQFOSSVCBCZKS-HXUWFJFHSA-N 432.936 5.127 30 20 IKED C[C@@H](Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)c1cccc(-n2cnnc2)c1 864018528 JEMXRWCOKMRDAJ-GFCCVEGCSA-N 432.343 5.730 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@H](C)c2cc(C)sc2C)cc1 914694528 NEVOLRASTAYYJV-QRWLVFNGSA-N 441.622 5.035 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1nc2ccccc2n1C(F)F 915103679 BLQYPLDKVAUEMT-HNNXBMFYSA-N 440.837 5.549 30 20 IKED C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916847329 OMKKKBDKQPQWIM-KDOFPFPSSA-N 449.576 5.217 30 20 IKED COc1ccc2cc(/C=C\C(=O)[C@H](C#N)C(=O)Nc3cc(C)c(Cl)cc3OC)ccc2c1 916901224 BJCFMVSGPQMNAK-JUIXODQZSA-N 448.906 5.180 30 20 IKED CC(C)Cc1ccc(C(=O)CCC(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1 916917845 KLBRBYQXMNIOJI-HSZRJFAPSA-N 426.516 5.349 30 20 IKED Cn1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(Cl)c1Cl 916997863 ZBPZBLXFYAHLSL-JTQLQIEISA-N 445.158 6.252 30 20 IKED Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3ccc(COc4ccccc4C#N)o3)o2)c1 917328074 PCMQDWKKAHKONC-MRXNPFEDSA-N 429.432 5.007 30 20 IKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nnn1-c1cccc(Cl)c1 917668581 CFKGIHJABRQANQ-QFIPXVFZSA-N 427.895 5.137 30 20 IKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc(C(C)C)c1 917715326 WGCFYKVWIPRCNK-OAQYLSRUSA-N 439.581 5.189 30 20 IKED COc1ccc(N2CCCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)cc1 918036226 XGOJBZKULHLRRO-SANMLTNESA-N 440.547 5.095 30 20 IKED N#CCOc1ccccc1C(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1 919991938 NTDJCGRSJSSZNU-UHFFFAOYSA-N 439.496 5.196 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl 920017441 PAKASJKQDHYNFE-UHFFFAOYSA-N 429.307 5.069 30 20 IKED Cc1cc(C)c(C(=O)CCCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)c1 920140298 BAGXVEHTPAAUAL-NRFANRHFSA-N 441.556 5.837 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)COc3ccc(C4SCCCS4)cc3)c2C#N)C1 921234171 RNFJLMQCDGXPFR-CQSZACIVSA-N 444.647 5.631 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)CC3CCC(C)(C)CC3)cc2)CCC1 1790570375 CPDLPIKSXXUZAF-LJQANCHMSA-N 441.616 5.528 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(N(C)C)c2ccccc12 1797466725 MNJBPLINSYFFMC-WKCHPHFGSA-N 447.623 5.150 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](C)c2ccc(Cl)cc2)C3)c1 1803675805 KGVIAPHBYUKSPU-LBDDYCNWSA-N 449.982 5.023 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(CCC)cc2)[C@H]1c1cccnc1 1810174538 NZZKPSHAUZLEEC-NXCFDTQHSA-N 445.607 5.122 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3cnccc3c2)[nH]n1 1819554840 QTUXFYAKYSMEQS-JOCHJYFZSA-N 445.567 5.256 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823215400 QRBLYCFVMQSNEE-XMSQKQJNSA-N 447.583 5.335 30 20 IKED CC[C@H](C)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1824345382 RWWUMXLVWBCIDZ-GMAHTHKFSA-N 432.725 5.093 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C(F)(F)F)CCC2)CC1 1826764596 XEIWPGKOCUCEKS-LJQANCHMSA-N 442.566 5.331 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(C)snc3s2)CC1 1827414675 JFZBTDMIJCNDOJ-DNVCBOLYSA-N 445.654 5.112 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ccoc23)CC1 1828830982 RMRWXACHVPFWNN-UPVQGACJSA-N 434.580 5.435 30 20 IKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1831858026 BDSHORVUFCLZEY-QFIPXVFZSA-N 445.563 5.237 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1 1832028650 UAYREGVIWUIXOQ-ADXHGGABSA-N 440.672 5.406 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2cccc(Cl)c2)cc1 10830969 XKVJEAAIEMQUGO-UHFFFAOYSA-O 438.016 6.248 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[C@H](C)CC)nnc1-c1ccc(F)cc1 22100695 KUAOIPJCFLGLGZ-IAGOWNOFSA-N 438.572 5.903 30 20 IKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2cccc(O)c2)c1 22729574 STRRBXHLEYDMHH-UHFFFAOYSA-O 446.379 5.654 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)s1)=C(/S)Nc1ccc(OC(F)F)cc1 22730320 KOXSQHJRFOUOLM-UHFFFAOYSA-O 447.552 5.559 30 20 IKED COc1ccc(/C=C(\C(=O)C(=O)O)c2ccc3ccccc3n2)cc1OCc1ccccc1 33479906 ZUZACDVIIVZMCP-QNGOZBTKSA-N 439.467 5.017 30 20 IKED N#CCCCOc1cccc(NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)c1 58535367 MOYIEVANIDOFHQ-UHFFFAOYSA-N 432.705 5.519 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2c(Cl)cccc2Cl)cc1 59799230 BOXUGXAJRFXGHG-UHFFFAOYSA-N 425.315 5.820 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 62905262 SGDLGXILJKUEQW-UHFFFAOYSA-N 440.330 5.667 30 20 IKED CCCOc1ccc(/C=C/C(=O)c2cnc3sc(C(=O)OC)c(C)c3c2)cc1OC 106036235 UKVYFJQOANLXRN-SOFGYWHQSA-N 425.506 5.085 30 20 IKED CCCCCCCCCCc1ccc(Nc2ccc(CCCCCCCCCC)cc2)cc1 113509807 AZUSZNZOTKGEPN-UHFFFAOYSA-N 449.767 10.797 30 20 IKED C=CCn1c(S[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)nnc1-c1ccccc1F 195569623 VFAMSSNHBZWQSD-CYBMUJFWSA-N 441.557 5.038 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 255951642 IXJMFTNVNHQBAA-MRXNPFEDSA-N 440.490 6.360 30 20 IKED CC[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 429463159 SORSPQOKTVGXSF-DEOSSOPVSA-N 443.547 5.251 30 20 IKED C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cccc(SCC#N)c2)cc1Cl 429866124 IIPDVFUOOKLCRB-HNNXBMFYSA-N 427.957 5.223 30 20 IKED N#CCCC[C@H](NC(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccccc1 431912982 RIDXVBLZSNKRGH-ICSRJNTNSA-N 430.474 5.018 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(OCC(F)(F)F)c2)cc1 432640977 HAOHZUOFAAHJDP-UHFFFAOYSA-N 440.421 5.525 30 20 IKED N#CCCn1cc(CNc2cccc(CSC3CCCCC3)c2)c(-c2ccncc2)n1 433326628 LXEKGIZNEKQUPM-UHFFFAOYSA-N 431.609 6.037 30 20 IKED COc1cc(NC(C)=O)ccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 435355536 CCCUXBBFFYCHDR-UHFFFAOYSA-N 435.867 5.223 30 20 IKED CN(Cc1cscn1)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 438518351 WSDNTMNMNMOUFW-UHFFFAOYSA-N 432.427 5.490 30 20 IKED C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCN1Cc1ccccc1 438638754 SPCOLRQLBASSEZ-OXQOHEQNSA-N 430.474 5.094 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1ccc(C(F)(F)F)cc1 442214329 MNAZKFSJUGCJQF-SUMWQHHRSA-N 433.430 5.254 30 20 IKED Cc1ccc(C)c(SCc2cccc(C(=O)[C@H](C#N)c3nnc4n3CCCCC4)c2)c1 442693076 OLRQTWNVYUZXIV-NRFANRHFSA-N 430.577 5.404 30 20 IKED CC(C)c1nc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)nn1-c1ccccc1F 442693893 QODRSEUCSLSOON-ZDUSSCGKSA-N 439.903 5.283 30 20 IKED Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 447428908 RFAQMVCNKMTTKA-QAPCUYQASA-N 449.498 5.138 30 20 IKED CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)C1 460157275 RQLANINIAUYAIS-NQIIRXRSSA-N 437.971 5.030 30 20 IKED C[C@H](C(=O)Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1)C(F)(F)F 463751208 DTGNFBWFAWVPLZ-ZCFIWIBFSA-N 432.317 5.150 30 20 IKED CC[C@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1nc(C(F)(F)F)cs1 465258747 DLKWEHVPWIQAIU-KRWDZBQOSA-N 445.466 5.494 30 20 IKED CCc1cnc(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)s1 466335218 UKGUROCQIRYSQG-UHFFFAOYSA-N 426.929 5.387 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)c2cc(-c3cccc(C#N)c3)no2)cc1 468837640 DIMUZOFFABSFFV-GOSISDBHSA-N 437.499 5.722 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 475571289 LEJSTHLVGMPCDD-OAQYLSRUSA-N 443.385 5.906 30 20 IKED N#CC[C@@H](CC(=O)N1CCCCC[C@H]1c1noc(-c2ccc(F)cc2)n1)c1ccccc1 476673787 YWRKHSXJOBXXDU-UNMCSNQZSA-N 432.499 5.407 30 20 IKED C=C(C)[C@H](NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(F)c(F)c1 477668816 PLOBJIVCPRUHGS-INIZCTEOSA-N 432.776 5.009 30 20 IKED CCn1cnnc1-c1cccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1 480714097 OOGMNPFYTDRBLX-UHFFFAOYSA-N 425.517 5.240 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2F)nnc1-c1cccc(Cl)c1 481379173 WHTCEFUAOJNINK-AWEZNQCLSA-N 430.936 5.351 30 20 IKED COc1ccc([C@H](CCO)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 482986853 DCORSBFBJZUIGC-UPVQGACJSA-N 449.938 5.249 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cnn1-c1ccccc1Cl 483251579 INOOXCUOGAEHOM-CYBMUJFWSA-N 427.316 5.587 30 20 IKED Cc1ccc(N(C(=O)C[C@@H](CC#N)c2ccccc2)c2nc3ccccc3s2)c(C)c1 483388828 WJHOYPMZZBLZIK-OAQYLSRUSA-N 425.557 6.665 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)Nc2ccc(C(C)(C)C#N)cc2)nc1-c1ccccc1 483438033 ADOFCWQGVGGJLU-QFIPXVFZSA-N 442.563 6.635 30 20 IKED CC(C)CN(C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)[C@H](C)c1ccccc1Cl 483446385 LREFRAVSPBYLFJ-IAGOWNOFSA-N 447.988 5.277 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(NC(=O)c4cccs4)cc3)c2)cc1 483668404 NTFBFPJXZNOPCB-UHFFFAOYSA-N 439.496 5.917 30 20 IKED Cc1csc(Nc2ccc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cc2)n1 485692979 HDFLQJISHKNGFX-UHFFFAOYSA-N 441.516 5.815 30 20 IKED Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3S[C@@H](C)CC#N)o2)c(C)c1 488811306 RXNRFGTTYROEJB-INIZCTEOSA-N 438.578 5.479 30 20 IKED CCc1cccc2c(C3CCN(C(=O)c4cc(C5CC5)nc(SC)c4C#N)CC3)c[nH]c12 490773460 MAHRNTADCWRLRG-UHFFFAOYSA-N 444.604 5.616 30 20 IKED N#Cc1ccc(OC2CCC(NC(=O)Nc3ccc4nc(C(F)F)sc4c3)CC2)nc1 493133628 WYZINZMXBKMMLG-UHFFFAOYSA-N 443.479 5.012 30 20 IKED COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(Cl)c2)cc1OCCCC#N 493905083 RIBXKFNLCRDWGU-XMMPIXPASA-N 447.922 5.802 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](c1ccccc1)c1ccccc1OC 495164575 HQZYQJGYAOSWFC-VWLOTQADSA-N 432.568 5.350 30 20 IKED COc1ccc(OCCS[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 496591001 HUBRMLXTXYGXSA-HNNXBMFYSA-N 430.595 5.036 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](c4ncc5n4CCCC5)C3)cc2)cc1 502214018 LHKJAGRPEXWATB-HXUWFJFHSA-N 441.535 5.295 30 20 IKED CN(C(=O)c1cccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1)c1ccccc1 503607194 DTEGDIOIHIHWBP-UHFFFAOYSA-N 436.515 5.156 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 505313682 IAVGBXQOTIZIKE-SFHVURJKSA-N 447.753 5.503 30 20 IKED N#C[C@@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccc(Cl)c(Cl)c1 505911835 HEIMBKVRYKMPJQ-QGZVFWFLSA-N 434.710 5.615 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1 507872733 KIJYORSTRHFISQ-UHFFFAOYSA-N 443.890 6.230 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)n1 514961310 UTZJQVZKSRBGDJ-WFASDCNBSA-N 425.501 5.186 30 20 IKED CC(C)[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1 515890739 XUYAXLDUNGCETD-QHCPKHFHSA-N 447.922 5.456 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 515984140 CUPQOLFRBWNCHS-DEOSSOPVSA-N 434.971 5.100 30 20 IKED CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)n1 517510379 GPCPAOHLSWZIFD-UHFFFAOYSA-N 438.487 5.950 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)n1Cc1ccccn1 517801160 YNRVCKYQQZASSU-QFIPXVFZSA-N 437.528 5.034 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OC4CCCC4)c(OC)c3)n2)cc1 518516578 LDKPOHWCGRWRKP-HXUWFJFHSA-N 448.544 5.639 30 20 IKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccccc3S[C@H](C)CC#N)C2)c1 518744412 RECMXQHMHKWFOK-MOPGFXCFSA-N 436.581 5.272 30 20 IKED Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)N(C)C3(C#N)CCC3)cc12 519148099 QQNUDISGYWBMMP-UHFFFAOYSA-N 433.364 5.280 30 20 IKED C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1nc2ccccc2n1C(F)F 519199153 QEEYRWNLEKSDQQ-OAHLLOKOSA-N 447.445 5.978 30 20 IKED CC(C)CN(Cc1ccccc1F)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 520178297 BVJWFUNUHLAHEY-UHFFFAOYSA-N 445.538 6.161 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(-c4nc5cc(F)ccc5[nH]4)cc3)cc2)nc1 521076956 PVRJKXJDSBLWRP-UHFFFAOYSA-N 449.445 5.680 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1)Cc1ccccc1F 521810960 MHFYDYQGGRQODF-IBGZPJMESA-N 433.552 6.454 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)c2)cc1 523716874 HSYYUEWKCFHBHF-NRFANRHFSA-N 436.298 5.439 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCC(=O)N3CCSc4ccccc43)cc2)cc1 524607170 IJSNKXGIDAXHLR-UHFFFAOYSA-N 443.528 5.208 30 20 IKED COc1cc(CN[C@H](c2ccccc2)C(F)(F)F)ccc1OCc1cccc(C#N)c1 533021372 OTQQJKKPWZZDJT-HSZRJFAPSA-N 426.438 5.539 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](Cc1ccccc1)c1ccccc1F 539361151 KBGVUXAFOLJXOC-YADARESESA-N 447.579 5.590 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)cs1 539827412 ZGPRVZOKRZAUQM-DHIUTWEWSA-N 434.540 5.239 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F 541445902 ACQYVFQYCGRYEJ-DIFFPNOSSA-N 429.414 5.642 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 542107193 AUVOKHHPIUTOHQ-UXHICEINSA-N 439.441 5.195 30 20 IKED C[C@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-c2cccc(C#N)c2)cc1 543874796 QDWLWEROPAUWPZ-IRXDYDNUSA-N 439.475 5.595 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3Cl)CC2)c(F)c1 552342629 OLBLGRXFEPMVSE-ROUUACIJSA-N 433.310 5.178 30 20 IKED C=CCOc1ccc(CNC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1 552581980 QOSAVJSJUZCQIX-UHFFFAOYSA-N 431.319 5.462 30 20 IKED CC1(C(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)CCN(c2ccc(Cl)cc2C#N)CC1 553550869 SZASRQKHNSSQLB-DNQXCXABSA-N 445.994 5.665 30 20 IKED C[C@@H](Oc1ccccc1NC(=O)C(=O)N[C@@H](CCCC#N)c1ccccc1)c1ccccc1 556623872 IWFJYJJACQLHRD-OFNKIYASSA-N 441.531 5.316 30 20 IKED N#CCCC[C@H](NC(=O)C(=O)Nc1cccc(CSC2CCCC2)c1)c1ccccc1 556624195 ONNLMXIVMBZNNO-QHCPKHFHSA-N 435.593 5.352 30 20 IKED CC(C)Oc1cccc([C@@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C(F)F)c1 557339266 GICQBVWXQSOOSA-HSZRJFAPSA-N 427.495 5.475 30 20 IKED CC(C)(C)c1csc(NC(=O)C(=O)Nc2ccc(COCc3ccccc3)cc2)c1C#N 559801437 AWHZAGUBXONBBS-UHFFFAOYSA-N 447.560 5.211 30 20 IKED C[C@H](NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1ccc(OC(F)F)cc1 561011910 UGOKQRRVLXONFK-HNNXBMFYSA-N 447.913 5.297 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCC(=O)Nc3cccc4ccccc34)cc2)c1 561407087 CLAPLMKTTVNHBN-UHFFFAOYSA-N 436.471 5.264 30 20 IKED CCC(=O)c1ccc(Cl)c(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1 572040689 ZZQUCYLOSRRMAL-UHFFFAOYSA-N 444.362 5.703 30 20 IKED O=C(N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)c1ncsc1C(F)(F)F 583512206 XIBGWVDLRSUZTJ-VIFPVBQESA-N 438.271 5.094 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 584284288 BEEWGXRYMAQTKV-UHFFFAOYSA-N 448.841 5.754 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)N[C@H]1CCc2ccc(C#N)cc21 584559373 MYWYFRLSMHWYGQ-RBZFPXEDSA-N 438.394 6.091 30 20 IKED C=CCn1c(SCc2nc(-c3ccsc3)oc2C)nc2sc(C)c(C)c2c1=O 588349935 KUHQQLGIIQNYBC-UHFFFAOYSA-N 429.592 5.578 30 20 IKED C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)C(=O)N[C@@H](CCCC#N)c3ccccc3)c2)C1 590298807 OLUDHBBMILXDMM-YNJKOYDBSA-N 447.579 5.272 30 20 IKED C[C@H](Cc1nnc(SCC(=O)N(CCC#N)c2cccc(Cl)c2)o1)c1ccccc1 594638673 DNJAVROKAFUVIN-MRXNPFEDSA-N 440.956 5.108 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1cccc(C)c1 598053562 FXYBQSLHUAVITD-GOSISDBHSA-N 449.555 5.006 30 20 IKED CSCc1nc2ccccc2n1CC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 603991556 CGJLLUWQANOYHV-UHFFFAOYSA-N 444.585 5.237 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(OC)cc1Br 606776915 NFURSUIFWFJZSG-UHFFFAOYSA-N 430.220 5.294 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCN(c4ccccc4)CC3)cc2Cl)c1 609079593 CZTRZLMTEYRJFL-UHFFFAOYSA-N 446.938 5.145 30 20 IKED CC(C)c1ccc(-c2noc(CCC(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)n2)cc1 609460556 RAPRLTKGXOQWAT-LJQANCHMSA-N 443.334 5.480 30 20 IKED COc1ccc([C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c2ccccc2)cc1 609497615 OTAOPIYOQQQUEA-AREMUKBSSA-N 435.483 5.274 30 20 IKED CCCN(C(=O)c1cc2ccccc2n1CC#N)[C@@H](c1ccc(F)cc1)c1cccnc1 609522762 LAEALRFYQHIAKV-VWLOTQADSA-N 426.495 5.341 30 20 IKED C[C@H](c1ccccc1)N1CCC(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 609696095 DTTCOLZNHWSFHL-OAQYLSRUSA-N 439.559 5.093 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2ccn(-c3ccccc3)n2)c1 609730171 QFSVZUWEEMPQNS-UHFFFAOYSA-N 428.879 5.120 30 20 IKED CCc1cccc(CC)c1-n1c(SCc2ccnc(C#N)c2)nnc1-c1cccnc1 610957058 NWDRPYAGWCUDRZ-UHFFFAOYSA-N 426.549 5.013 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)[C@H]1COc2ccccc21 611109450 JXVVLTZKBVAWFQ-WZONZLPQSA-N 427.504 5.132 30 20 IKED CCc1c(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cnn1CC(C)C 611140844 OXMGJROVUHMREX-UHFFFAOYSA-N 431.540 5.505 30 20 IKED N#Cc1ccc(SCc2nc(O)c3ccc(C(F)(F)F)cc3n2)cc1C(F)(F)F 611728422 ILBATEUOZZSIHR-UHFFFAOYSA-N 429.345 5.537 30 20 IKED CC(C)c1oc([C@@H]2CCCN2S(=O)(=O)c2cccc(CC#N)c2)nc1-c1ccccc1 619487140 FGDRURIEDCXCIT-NRFANRHFSA-N 435.549 5.057 30 20 IKED C=CCOc1c(Cl)cc(CNc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1OC 630067888 JNOMFNWWAHMCKN-KRWDZBQOSA-N 428.960 5.540 30 20 IKED O=C(NCC1(c2ccc(F)cc2Cl)CC1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 677965246 SSXRQBLHOJKXHO-QWRGUYRKSA-N 446.794 5.283 30 20 IKED CC(C)(c1ccc(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1)C(F)(F)F 683385438 DSFBLUYOQQXSQX-STQMWFEESA-N 435.330 5.729 30 20 IKED COc1ccc(C(=O)/C=C/c2c(C)nn(-c3ccc(Cl)cc3)c2Cl)cc1NC(C)=O 726428706 OOPROJIEWMNMRS-MDZDMXLPSA-N 444.318 5.351 30 20 IKED N#CCCCCOC(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 727551351 BEMPOSSVOINYBJ-UHFFFAOYSA-N 445.363 5.249 30 20 IKED N#CCOc1ccc(CNC(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)cc1 727933836 IYKBULQCWVGJGE-HNNXBMFYSA-N 436.364 5.197 30 20 IKED CCCCC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccccc1 728145461 ARZNIUDBUROKPW-HSZRJFAPSA-N 442.519 5.122 30 20 IKED C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 730422133 UMQQTHNDFNWYDR-UZLBHIALSA-N 430.504 5.670 30 20 IKED N#C[C@H](NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1c(Cl)cccc1Cl 733259458 XLFUMPNVIZKZDM-HNNXBMFYSA-N 439.224 5.193 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ncc(Cc3ccccc3Cl)s2)c1 733799361 HNXVGZUGMJFHOP-KRWDZBQOSA-N 440.956 5.390 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(OCc3cccc(C)c3)cc2)cs1)C1CC1 734304432 JJXQKSMTKDSLRK-JYRVWZFOSA-N 432.545 5.442 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)NCc2ccc(-c3cccc(C)c3)cc2)ccc1OC 735577254 QYAJMZSMFJQKPW-DEOSSOPVSA-N 443.547 5.351 30 20 IKED CC(C)(C)c1ccc(N=C2NC(=O)[C@H](CC(=O)Nc3ccc4ccccc4c3)S2)cc1 736640817 HFYBBEGXUJKURV-NRFANRHFSA-N 431.561 5.385 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1nccc2ccccc12 740761388 QBXOMLYIYCRAFH-UHFFFAOYSA-N 430.920 5.517 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)/C=C/c1cnc(C(C)(C)C)s1 742631828 RZFXDWGHSKQEOZ-PKNBQFBNSA-N 431.561 5.852 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1sccc1-c1ccc(F)cc1 743761652 YKRVSVIYPAEELK-IMRBUKKESA-N 439.396 6.194 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)cc1 744033850 VYGGDZVTOXEWQN-JTSKRJEESA-N 433.552 5.454 30 20 IKED C=CC[C@H](NC(=O)N(Cc1ccccc1)[C@@H](C)Cc1ccccc1OC)c1ccncc1 745826779 DIILZIIODSBASA-OFVILXPXSA-N 429.564 5.550 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)Cn1nc(SCc2ccc(F)cc2)sc1=S 746033744 WICIYNZVUJSHOG-UHFFFAOYSA-N 444.626 5.845 30 20 IKED Cc1ccc(NC(=O)C(=Cc2ccc(C#N)s2)C(=O)Nc2ccc(C)cc2C)c(C)c1 748994254 LBBSKNKACSOPCN-UHFFFAOYSA-N 429.545 5.514 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1C#N 752297966 ONIRDYANTPCLIF-QGZVFWFLSA-N 431.496 5.019 30 20 IKED C=CCc1cc(C(=O)Oc2ccc(C3SCCS3)cc2OC)cc(OC)c1OC 757846485 VIEACKQWUYGOCF-UHFFFAOYSA-N 432.563 5.139 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H](C)c1ccc(Cl)c(C(F)(F)F)c1 759583940 FUTLCTXMXYEEAE-AWEZNQCLSA-N 427.854 5.323 30 20 IKED N#Cc1ccc(/C(O)=C(/C(=S)Nc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 762444656 CAHMSPJUMBRLJI-UHFFFAOYSA-O 448.571 5.760 30 20 IKED C=CCn1c(SC[C@H](O)c2ccc(C#N)cc2)nc2cc(-c3ccccc3)sc2c1=O 763230784 BMOXDJFSWWXHML-FQEVSTJZSA-N 445.569 5.008 30 20 IKED CCN(C(=O)C[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C)c1ccc(C#N)cc1 763296901 FBRKUXUVLXNKOM-IPJJNNNSSA-N 427.589 5.141 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)n1 765587806 OEHCNTAHLKOWBX-MRXNPFEDSA-N 426.885 5.115 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N[C@H](c3cccc(F)c3)c3ccccn3)c2)s1 765719364 RHXXDWSTEYLCMZ-XMMPIXPASA-N 442.519 5.410 30 20 IKED C[C@H](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1CCN(C(=O)OC(C)(C)C)CC1 766239015 ZWYSCEMZXBOSMG-WBVHZDCISA-N 427.570 5.146 30 20 IKED Cc1oc(-c2cccs2)nc1C(=O)OC[C@H](C#N)Cc1cccc(Br)c1 774394484 WJHBGACDUVGDJG-AWEZNQCLSA-N 431.311 5.013 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(Br)cc2C(F)(F)F)c1 776323256 ZCLMDRBISZMEQG-UHFFFAOYSA-N 435.146 5.193 30 20 IKED CC(C)[C@@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)Nc1ccccc1C(F)(F)F 777176370 ABFKYUCZYXJVPW-LJQANCHMSA-N 430.426 5.081 30 20 IKED COc1cc(C(=O)/C=C/c2cn(C)nc2-c2ccc(C#N)cc2)ccc1SC(F)F 777916557 LLQCKQUBSWIDNZ-VQHVLOKHSA-N 425.460 5.178 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1 782729182 DACUCMDYBQJRQP-UHFFFAOYSA-N 434.584 5.009 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)o1 784532223 VYPPEOPOMRONHW-GOSISDBHSA-N 440.421 5.379 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H]2CCc3cc(Br)cc(C)c32)ccc1OC 786850791 ALUCGLUGWWMQSE-MOPGFXCFSA-N 429.358 5.224 30 20 IKED CN(C(=O)COC(=O)C[C@H](CC#N)c1ccccc1)[C@@H](c1ccccc1)c1ccc(F)cc1 795982978 OKIRDPQWJWLTME-HOFKKMOUSA-N 444.506 5.004 30 20 IKED C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1CCC([C@H](F)c2ccccc2F)CC1 796131266 BGNVBESNXLMSSN-HZMBPMFUSA-N 448.382 5.271 30 20 IKED CC1=C(Br)CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 797615488 JZKQQICIQSLHBY-UHFFFAOYSA-N 440.341 5.238 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1 805856174 SFEUZQBMAIHJNX-KRWDZBQOSA-N 449.297 5.293 30 20 IKED C=CCn1c(SCC[C@H](O)c2ccccc2)nnc1-c1ccc(Br)cc1 806580542 HTYPNXZQNWLDDE-SFHVURJKSA-N 430.371 5.109 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2cccs2)C2Cc3ccccc3C2)c1 806809024 SWMYEJFCFOAWBK-HSZRJFAPSA-N 445.588 5.308 30 20 IKED COc1ccc(CN[C@@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)cc1C#N 810175761 NKYQYWDEKSCXNS-HXUWFJFHSA-N 437.540 5.306 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(Br)c2ccccc2c1 815907115 SDUSMEQTRALTFE-QGZVFWFLSA-N 427.685 5.217 30 20 IKED C=CCOc1c(Cl)cc([C@@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1OC 877845449 UJZXYLYUVYCXCJ-GOSISDBHSA-N 426.822 5.042 30 20 IKED Cc1csc([C@@H](C#N)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)n1 915100317 RWFMVURNEQPYBH-FQEVSTJZSA-N 432.936 5.377 30 20 IKED Cc1nc(SCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(C#N)c(C)c1C 915179272 BTZXWOCVANPXAH-HSZRJFAPSA-N 426.545 5.265 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2nc3ccccc3s2)s1 916905191 ITKFSMDZEJSDTQ-LBPRGKRZSA-N 437.933 5.639 30 20 IKED N#C[C@H](C(=O)CSCc1coc(-c2ccccc2)n1)C(=O)Nc1cccc2ccccc12 916919664 YTOKWQSRIJOSFG-OAQYLSRUSA-N 441.512 5.076 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cc1Cl 916939735 SAESLFQXNOZYIZ-HXUWFJFHSA-N 435.911 5.026 30 20 IKED CCc1noc(CCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1 916995696 CLJQWNPKSGLCMP-CYBMUJFWSA-N 435.336 5.261 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Oc2cccc(NC(=O)c3ccccc3)c2)o1 917057073 KEWZMGQBXCVOST-UHFFFAOYSA-N 438.439 5.202 30 20 IKED Cc1ccc(OCCCC(=O)Nc2ccc(CNc3snc(Cl)c3C#N)cc2)cc1 917074473 RRCAYWWLFJQEHJ-UHFFFAOYSA-N 440.956 5.386 30 20 IKED Cc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(C(C)(C)C)cc2)cc1C 917613670 QAUUCMWLWKFXTE-UHFFFAOYSA-O 442.608 6.083 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 920108251 DHUQSGGKMKDIHM-FOIQADDNSA-N 430.470 5.671 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3cccc(Br)c3)n2)cc1 920143375 PJUZMOBFDPRKQP-SFHVURJKSA-N 441.350 5.390 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3csc(C)c3C)cc2)CCC1 1787563032 RLFDAWIYWHVUDT-UHFFFAOYSA-N 426.582 5.095 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(C)ccc4[nH]3)cc2)CCC1 1788964339 ZLPYDEFNBOBXDR-GOSISDBHSA-N 446.551 5.025 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(Cl)ccc4c3OCO4)cc2)CCC1 1788989267 MIJBUEDVIVEBQB-OAHLLOKOSA-N 440.927 5.029 30 20 IKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CCC4)CCC3)cc2)c(F)c1 1790797641 DYOHSPFMRQUNGL-UHFFFAOYSA-N 449.526 5.054 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3sccn3c2)n[nH]1 1817820601 VVCWRQDVQCZJLU-SFHVURJKSA-N 439.585 5.022 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3sccn3c2)CC1 1827406254 NVJNVUCZHIJJRB-FGZHOGPDSA-N 439.625 5.003 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)cc2OC)CC1 1828829103 DGICRMRWWWVIKD-LADGPHEKSA-N 438.612 5.005 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3sccc3[nH]2)CC1 1829069455 YJIMMLMLFBEYNF-NRFANRHFSA-N 441.641 5.455 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)CCc1ccc(C)c3ccccc13)C2 1844205401 XVLCSMUEUWSMBD-HSZRJFAPSA-N 430.592 5.053 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2cccc(C)c2C)cc1 10168256 MRJQZPIMAVXCKO-UHFFFAOYSA-O 437.654 6.273 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(F)cc2)[n+]2ccc(C(C)(C)C)cc2)c(C)s1 10830008 BTNMUXKVPISCBS-UHFFFAOYSA-O 441.617 6.140 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1cccc(O)c1OC)C(=O)c1ccccc1 11332554 XFJVBYGJWDFSTC-OQKWZONESA-N 429.516 5.431 30 20 IKED N#CCOc1ccc(C(=O)/C=C/c2cccc(/C=C/C(=O)c3ccc(OCC#N)cc3)c2)cc1 15352524 QEZFZUZRAWQWGP-VHUAAIQRSA-N 448.478 5.284 30 20 IKED Cc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1C 64531585 ZEPSOXXUAIVRMQ-VWLOTQADSA-N 438.531 5.796 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2cccc(Cl)c2)n1)c1nc(-c2c(F)cccc2F)cs1 64715423 FQDVTDSSDORKBB-AWEZNQCLSA-N 440.862 5.417 30 20 IKED N#CCCN(Cc1cccnc1)C(=O)c1oc2ccccc2c1CSC1CCCCC1 98076144 GNPIOFNGBASEOX-UHFFFAOYSA-N 433.577 5.950 30 20 IKED Cc1ccc(CNCc2cccc(OCc3ccccc3C#N)c2)c(OC[C@@H]2CCOC2)c1 237881770 VJMQCGKKIUOFKU-HSZRJFAPSA-N 442.559 5.151 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)cc1 303411167 ADWHZHAYSUZUGC-RTWAWAEBSA-N 428.454 5.262 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(Oc2ccc(F)cc2)CC1 303633581 PFJITRBENHDYRN-UHFFFAOYSA-N 432.520 5.532 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)cc1 303848642 KESHFWSTONGBBX-WOJBJXKFSA-N 444.453 5.142 30 20 IKED CN(Cc1csc2ccccc12)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 425959006 QJKRBCHZHKVEFD-UHFFFAOYSA-N 441.512 5.162 30 20 IKED C=CCSc1ccccc1NC(=O)CN(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 426857307 HAXDUNAYRPFKEC-QHCPKHFHSA-N 438.984 5.068 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(CCc2ccccn2)Cc2cccnc2)cc1 431311728 ZEJIECKXWIFDFL-UHFFFAOYSA-N 448.526 5.334 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(Cl)c(Br)c3)CC2)cc1 432239225 ZGRLWZYHHUUHAL-UHFFFAOYSA-N 434.721 5.049 30 20 IKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 432786200 OJXVHTJWGIZGLX-WMZHIEFXSA-N 442.519 5.087 30 20 IKED CC[C@@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2F)c2cccs2)cc1 433519143 KDNFNMXQRNMXNY-IVZQSRNASA-N 435.524 5.117 30 20 IKED COc1ccccc1C[C@H](C)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 437739541 XGEWUZDOOUGFCV-FDDCHVKYSA-N 447.966 6.099 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)Nc1cccc(COC2CCCCC2)c1 438755478 QGJUQRJFXOGECQ-UHFFFAOYSA-N 437.565 5.119 30 20 IKED C[C@H](NC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)c1ccc(C#N)cc1 438831976 KXGZJUOOQIXOPC-AWEZNQCLSA-N 438.940 5.086 30 20 IKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)c2cccc3ccccc23)cc1 439584070 ZZMXUFHKEPRYTI-UHFFFAOYSA-N 428.513 5.286 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)Nc3ccc(CC(F)(F)F)cc3)cc2)c1 440548684 MKHNQPZFWWZHES-UHFFFAOYSA-N 439.393 5.033 30 20 IKED C[C@H](O)C[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 443920212 BLUDHYNWKXBJPI-KBXCAEBGSA-N 433.430 5.137 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c[nH]nc1-c1cccc(Cl)c1 445844948 MBKNJNQFQRVBCR-UHFFFAOYSA-N 429.867 5.350 30 20 IKED Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 447428907 RFAQMVCNKMTTKA-MAUKXSAKSA-N 449.498 5.138 30 20 IKED N#Cc1ccc(C2=CCN(c3nnc(-c4cccc(C#N)c4)n3Cc3cccs3)CC2)cc1 461494096 ILJYHRJPMJPPAJ-UHFFFAOYSA-N 448.555 5.092 30 20 IKED N#C[C@H](NC(=O)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1cccc(Cl)c1Cl 462375996 OVGBVHVWOSZLQE-PUECVXPYSA-N 427.690 5.245 30 20 IKED CCO[C@@H](C)c1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)s1 463482767 UUJQASRDAGUPSN-AWEZNQCLSA-N 441.940 5.597 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@](CO)(Cc3ccccc3)C2)cc1 463520532 CNJHWPHWKCXKDT-HHHXNRCGSA-N 441.531 5.200 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)cc1)C(C)C 464972544 MPGDULHRAQKOKM-UHFFFAOYSA-N 441.531 5.668 30 20 IKED Cc1ccc(CN2CCOCC2)cc1NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 464973923 SETJBMMFGHEWTB-UHFFFAOYSA-N 441.531 5.052 30 20 IKED C[C@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)Oc1ccccc1Cl 466173554 LHPXECUXUCVRSQ-GOSISDBHSA-N 449.938 5.574 30 20 IKED O[C@@H](CN[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)CC(F)(F)F 469768422 KMZAYSDJQMYDEV-NXEZZACHSA-N 437.224 5.231 30 20 IKED Cc1ccc(CN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C2CC2)cc1C 470539096 VAWSBBMKXXHWNH-UHFFFAOYSA-N 430.552 5.083 30 20 IKED Cc1nnc(-c2cc(F)ccc2NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)o1 471388491 CQBYIPGBKWKQQF-UHFFFAOYSA-N 448.841 5.754 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 474271181 NQXJPEJTLYDVCY-WBMJQRKESA-N 430.348 5.154 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2CCCc3c(O)cccc32)cc1 479225144 KZVWUFKBUXYRDE-DEOSSOPVSA-N 429.495 5.192 30 20 IKED CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 480020360 VCUJSODZHFFZBB-UHFFFAOYSA-N 433.480 5.457 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1Sc1ccc(C(=O)CC)cc1[N+](=O)[O-] 480086633 OJYYCSMVTBBDJR-UHFFFAOYSA-N 438.509 5.004 30 20 IKED C=CCn1c(SCc2nnc(-c3ccc(OC)cc3)o2)nnc1-c1cccc(Cl)c1 481391437 HMOAOAJTDUVLFS-UHFFFAOYSA-N 439.928 5.135 30 20 IKED Cc1sc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)c(C#N)c1C 483123362 RGVMZHIGPWVBAW-UHFFFAOYSA-N 432.368 5.304 30 20 IKED C=C(C)[C@H](NC(=O)N(Cc1c(C)noc1C)Cc1c(C)noc1C)c1ccc(F)c(F)c1 483295768 ZHYVHLFGGNFHQM-QFIPXVFZSA-N 444.482 5.204 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCCN(c2ccccc2C#N)CC1 486537541 SAKZOISSWCGROG-UHFFFAOYSA-N 442.997 5.058 30 20 IKED COc1ccc(-c2cc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)sc2C)cc1 487891080 ZGILJHMZUUOQJL-UHFFFAOYSA-N 444.478 5.809 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N(CC#N)c1ccccc1 488669127 NYQIVQIJIOYCPU-UHFFFAOYSA-N 430.533 5.195 30 20 IKED Cc1cc(C(=O)N(C)[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)nc(C(F)(F)F)n1 490261937 RKZLEVQQTPNOST-LBPRGKRZSA-N 445.285 5.198 30 20 IKED CCOc1ccc(-n2c(S[C@@H](C#N)Cc3ccc(C)cc3)nnc2-c2cccnc2)cc1 494127394 KTDDCNVCXUJGNJ-HSZRJFAPSA-N 441.560 5.263 30 20 IKED Cc1nc(CCC(=O)N(CCC#N)CC(C)(C)C)oc1-c1ccc(Br)cc1 494411538 BWCKSVVWSZRHKC-UHFFFAOYSA-N 432.362 5.134 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 499883559 AGWGSGKEUJEPFL-HNAYVOBHSA-N 447.507 5.288 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCOC[C@@H]3c3nc4ccccc4s3)c2)cc1 500653039 OWIGAMDJJBSHRF-JOCHJYFZSA-N 441.512 5.174 30 20 IKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)Nc1cccc(OCCCC#N)c1 502531189 ORSCKCCUASPTQR-HXUWFJFHSA-N 429.520 6.462 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3cccc(C[S@](=O)c4ccccc4)c3)CC2)cc1 503480703 WNJCUBRDORBGRN-YTTGMZPUSA-N 441.556 5.187 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cnn(-c4cccc(C(F)(F)F)c4)c3)cc2)nc1 505195700 FWSWZKVWWROQRY-UHFFFAOYSA-N 449.392 5.202 30 20 IKED C[C@H]1CCCCN1C[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 505914364 YLEIEVVJKZTZPB-JTHBVZDNSA-N 431.580 5.272 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(n3cc(Cl)cn3)CC2)cc1F 506643277 PAAXNGCDWNGNKX-UHFFFAOYSA-N 439.878 5.209 30 20 IKED Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1NC(=O)c1ccco1 507934241 FOLHJBMJQJXVAR-UHFFFAOYSA-N 437.455 5.757 30 20 IKED C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 508803359 WQUUXOQTCKBVBY-FQEVSTJZSA-N 444.963 5.127 30 20 IKED C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@H](c2ccsc2)C1 508813526 PIWJXBDESHZYTQ-QFIPXVFZSA-N 438.597 5.114 30 20 IKED CN(C)Cc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)oc2ccccc12 510493227 TZPARZJUKQDKOH-UHFFFAOYSA-N 439.515 5.392 30 20 IKED CCc1cc(C#N)c(NC(=O)c2cc(C)cc(C(=O)Nc3sc(CC)cc3C#N)c2)s1 510597097 BGZIRACGWWWOPI-UHFFFAOYSA-N 448.573 5.491 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 513956198 VVODMDABXRDJLQ-UHFFFAOYSA-N 438.846 5.493 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(SC)c2)nnc1-c1ccc(Cl)cc1 514955168 ZNZCAHQKYJTHRL-AWEZNQCLSA-N 445.013 5.626 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 516040106 MCRIAHRDEDEASJ-UHFFFAOYSA-N 443.421 5.183 30 20 IKED CN(Cc1ccccc1NCc1ccc(C#N)cc1C(F)(F)F)C(=O)c1cccs1 517446832 QOUKSXOZKMECQX-UHFFFAOYSA-N 429.467 5.523 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NCC2CCN(Cc3cccs3)CC2)cc1 518046001 JALVGTXNOXNFRQ-UHFFFAOYSA-N 449.551 5.193 30 20 IKED CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 518373765 XWDYTYCXPKSFCX-SFHVURJKSA-N 427.504 5.326 30 20 IKED N#CCCn1cc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c(-c2ccc([N+](=O)[O-])cc2)n1 518905464 AHIXYEJLBBPRMK-UHFFFAOYSA-N 449.470 5.195 30 20 IKED CSc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1NC(C)=O 520427730 WZYINOBHYMQKJV-ZDUSSCGKSA-N 443.500 5.259 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N(Cc2ccccc2)CC2CCOCC2)cc1 521365316 KMIBTQWNRGJKFX-UHFFFAOYSA-N 444.506 5.559 30 20 IKED CN(Cc1ccc(Br)s1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 521367020 XZCRJGMOUGMQQY-UHFFFAOYSA-N 442.338 5.838 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3cccc(OCc4cccnc4)c3)c2)c1 522313953 ASCXZAZWBFZTCP-UHFFFAOYSA-N 435.483 5.364 30 20 IKED N#Cc1ccc(C(=O)N(c2ccc(Cl)c(Cl)c2)c2nc3ccccc3s2)nc1 522678938 AKPZRIXYWLZNTG-UHFFFAOYSA-N 425.300 5.848 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)o2)cc1 524421071 HATZFFKDMRDFCR-UHFFFAOYSA-N 434.455 5.526 30 20 IKED N#C[C@@H](NC(=O)c1occc1CSc1ccccc1)c1ccc(OC(F)(F)F)cc1 534333906 KMYQQGDOKKVYOL-GOSISDBHSA-N 432.423 5.465 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(Br)cc2cccnc12 534678200 PEOIDGRENIHEDO-ZDUSSCGKSA-N 426.339 5.501 30 20 IKED CC(=O)N1CC[C@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c2ccccc21 535311152 SVKARWUSRYZILU-QHCPKHFHSA-N 441.556 5.078 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cc(F)c(Br)c(F)c2)c1 537153587 NSKBKBHTLYELOE-UHFFFAOYSA-N 433.208 5.023 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 538668812 XCAQBLPXFQDAPH-UHFFFAOYSA-N 449.392 5.202 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(-c2cnn(C)c2)ccc1F 541078141 IOYBISVQHLNEEF-UHFFFAOYSA-N 426.451 5.451 30 20 IKED CCN(C(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1)[C@H](C)c1ccc(C#N)cc1 549559085 DORDIOUQWDTFBX-MRXNPFEDSA-N 436.943 5.179 30 20 IKED CN(CCC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 554180374 YGZPTIKBZRLBLR-VLGSPTGOSA-N 426.476 5.006 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc(-c2ccccc2C(F)(F)F)cs1 554749426 SAWWWHPLEUIDLL-UHFFFAOYSA-N 447.486 5.127 30 20 IKED Cc1ccc(SCc2nnc(N3CCC(C)(C#N)CC3)n2CCc2ccccc2)cc1 555198131 MCPLNMUHSMHCFV-UHFFFAOYSA-N 431.609 5.252 30 20 IKED CC(=O)Nc1ccc2nc(NC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)sc2c1 558412107 QPTWFHLZPVQOIY-UHFFFAOYSA-N 427.489 5.122 30 20 IKED Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NCc1cccn1Cc1ccccc1C#N 559998498 VHJJOCUVONOATI-HXUWFJFHSA-N 426.564 5.201 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3csc(-c4ccccc4Cl)n3)CC2)c(F)c1 560756114 MHJJLMFGSOTCHR-UHFFFAOYSA-N 441.915 5.158 30 20 IKED CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 569383165 DVQSCIRPRSIANT-UHFFFAOYSA-N 439.415 5.270 30 20 IKED N#Cc1ccc(NC(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)cc1F 574370139 WINYQAQCSVYNBX-UHFFFAOYSA-N 447.445 5.071 30 20 IKED N#Cc1ccc(C[C@H](C#N)c2nc(-c3cccc(Oc4ccc(Cl)cc4)n3)no2)cc1 581514625 YRSODZXPNIPBBK-QGZVFWFLSA-N 427.851 5.299 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1cc2c(cc1Cl)OCCO2 588923751 KJXFUBNDDJWVHW-AWEZNQCLSA-N 448.997 5.235 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ccccc2Cl)n1)c1nc2cc(Cl)ccc2s1 589831176 WYNXRQFAQHMDIY-GFCCVEGCSA-N 430.341 6.217 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)CCNC(=O)c3ccc4ccccc4c3)c2)c1 603638981 XOUUMMOJIQUWEE-UHFFFAOYSA-N 449.510 5.049 30 20 IKED COc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 603692587 MDCGUXDYPNATOI-XMMPIXPASA-N 442.519 5.903 30 20 IKED CCCCN(C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[C@H](C)c1ccc(C)o1 604500452 AKFDLGFPOCIIQQ-LJQANCHMSA-N 444.535 6.107 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1 604521177 AOEWSQQWNFBGPC-GVUKDKGQSA-N 433.596 5.038 30 20 IKED C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 606181965 KHLKBZBRCLUROL-LEWSCRJBSA-N 435.330 5.473 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1cc2ccccc2o1 609078699 JJCQADOVAOIXAW-GOSISDBHSA-N 425.488 6.075 30 20 IKED C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 609105333 XPOHKIAKODSHJI-AOMKIAJQSA-N 443.478 5.123 30 20 IKED CCCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1cc(Cl)ccc1C#N 609285943 HRWRJAOHUAAZTN-SFHVURJKSA-N 444.362 5.160 30 20 IKED Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc12 609377156 PHGHCDXFWQVLLO-INIZCTEOSA-N 446.601 5.959 30 20 IKED Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3SC[C@@H](C)C#N)C2)c1 609377998 ODDXULFURHXYQP-PMACEKPBSA-N 435.593 5.046 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(CSC4CCOCC4)c3)c2)cc1 609699297 ZGKXBPODGXWHIH-UHFFFAOYSA-N 444.556 6.015 30 20 IKED Cc1ccc(Nc2cccc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c2)nn1 609874322 QWHVTCFRZBKOIR-UHFFFAOYSA-N 449.514 5.426 30 20 IKED Cc1ccnc(-c2ccc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)cc2)n1 609877600 NMAQLKXGKKXITN-UHFFFAOYSA-N 436.519 5.098 30 20 IKED COc1ccc(C[C@H]2CCCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)C2)cc1 610321560 XJUAEJTXCPTBNC-OAQYLSRUSA-N 442.519 5.241 30 20 IKED N#CCC[C@H](NC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1)c1ccccc1 610972645 LQBVAVWHSCRAJU-IBGZPJMESA-N 437.341 5.043 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cnn1-c1ccc(F)cc1 613319831 LTVYNVGSDGNKMQ-SFHVURJKSA-N 436.899 5.587 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccccc2F)n1CC=C 613391264 BVYARGWRZMEQSG-INIZCTEOSA-N 442.585 5.027 30 20 IKED N#C[C@]1(F)CCN(C(=O)Nc2ccc(-c3nc4cc(Br)ccc4s3)cc2)C1 615540519 VEODEXJGGSXVFA-LJQANCHMSA-N 445.317 5.195 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(C)c(Br)c1C 616228419 AQTRBLYSAZDNST-UHFFFAOYSA-N 436.309 5.686 30 20 IKED Fc1ccc(-c2cn3nc(N4C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C4)sc3n2)cc1 618438098 MXYYIVRIROZAGU-QWRGUYRKSA-N 438.372 5.164 30 20 IKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NCc1ccc(C#N)c(Cl)c1 619780925 KPXJOMPOJYEDGF-UHFFFAOYSA-N 445.906 5.479 30 20 IKED C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 642282278 ZFLQNTWWMLEUFG-RLCCDNCMSA-N 443.450 5.400 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(Br)cc2)nnc1-c1ccc(F)cc1 669910159 WKHWAWFPZOAACU-ZDUSSCGKSA-N 446.345 5.396 30 20 IKED C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 675179051 ZXLVRJJKZTZTOQ-GMTAPVOTSA-N 444.366 5.503 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2cccc(C#Cc3cccs3)c2)c1C(F)F 676149567 GWNXXNFDQRGLFA-UHFFFAOYSA-N 439.409 5.573 30 20 IKED Cc1nc(-c2ccccc2)oc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 679367935 BDWYHJZNHVWWDO-CQSZACIVSA-N 427.407 5.769 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1CCCc2ccc(F)cc21 684363444 QMMKLJCCVOIEIZ-XHBSWPGZSA-N 426.376 5.412 30 20 IKED CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N/[C@@H](C)c1cccs1 726421127 KVFDVLUZPJFUCA-BUTIHAISSA-N 429.611 5.165 30 20 IKED Oc1ccc(C=Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)c(O)c1O 726740027 PHQFFAFVTMZMTK-UHFFFAOYSA-N 436.851 5.441 30 20 IKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCSC1=Nc1cccc(Cl)c1C 728009028 LQLVHBWYCBBNBU-OAQYLSRUSA-N 439.968 5.176 30 20 IKED COc1ccc(-c2nc(S[C@@H](C)c3ccc(OC(F)F)cc3)nc(O)c2C#N)cc1 728703985 WVFGFFCACDGSBG-LBPRGKRZSA-N 429.448 5.184 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccccc2-c2ccc(Cl)cc2)c1 733801451 OMKUCUJYGPPKQJ-QFIPXVFZSA-N 433.939 5.687 30 20 IKED CCO[C@@H](C)c1nc(CON=C(Cc2nc3ccccc3n2C)c2ccccc2)cs1 736609917 GTLQSLNVRZWNNE-KRWDZBQOSA-N 434.565 5.291 30 20 IKED COC(=O)Nc1ccc(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 738914691 RLKYAOKDIBTFOY-UHFFFAOYSA-N 444.491 5.202 30 20 IKED N#Cc1ccc(-c2cccc(CNCc3csc(-c4ccc5c(c4)OCO5)n3)c2)s1 740012105 WHYQKDLSBIMQNY-UHFFFAOYSA-N 431.542 5.429 30 20 IKED COc1ccccc1-c1ccc([C@H]2NC(=S)NC(c3ccc(C)cc3)=C2C(C)=O)cc1 741654456 ZZJJNZXNVSGKHA-RUZDIDTESA-N 428.557 5.190 30 20 IKED CCOc1c(OC)cc(/C=C\C(=O)c2ccc(SCC(F)(F)F)cc2)cc1OC 741844465 VDSNPKYRRHNTCJ-YHYXMXQVSA-N 426.456 5.653 30 20 IKED CCCOc1ccc(C=NOCc2ncc(-c3ccccc3Br)o2)cc1OC 742351277 SVLMEYJDJXWZLK-UHFFFAOYSA-N 445.313 5.452 30 20 IKED CCO[C@@H]1C[C@H](/N=C\c2cc(Br)cc(Br)c2O)C12CCCC2 743044884 SVQXBTFXTNDNHU-ZABHWKCNSA-N 431.168 5.074 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1cc(Cl)ccc1OC1CCCC1 744342312 BCGYUNITAYGIDV-UHFFFAOYSA-N 429.948 5.064 30 20 IKED Cc1nc(C2CCCC2)sc1C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 745608387 BKZBRMAQVFJQST-CQSZACIVSA-N 443.594 5.299 30 20 IKED O=[N+]([O-])c1ccccc1-c1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)o1 745986884 SDKRRPOKAQVHGI-UHFFFAOYSA-N 439.884 5.274 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc(C(=O)O)cc1)C(=O)c1ccccc1 747149845 JYVHDFWUPTVIBR-QJOMJCCJSA-N 427.500 5.415 30 20 IKED CCCOc1ccc(Br)cc1/C=C\C(=O)c1ccc(N2CCOC2=O)cc1 748585053 WIDDMUNMDDWAHK-UITAMQMPSA-N 430.298 5.091 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc(C(F)(F)F)c1F 750977956 WXYSNMUUXWRSJJ-GFCCVEGCSA-N 440.418 5.034 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2ccc(C3SCCCS3)cc2)cc1C#N 752198878 CFRREVSUYQQLHZ-UHFFFAOYSA-N 427.551 5.248 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC(c2ccc(F)cc2)CC1 752853730 CTYBUDOAKVEXGK-QLPKVWCKSA-N 440.403 5.624 30 20 IKED C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cnc(-c4ccncc4)s3)c12 753141024 FCHSERQCRQWPHY-CMDGGOBGSA-N 425.517 5.198 30 20 IKED N#CCSc1ccccc1C(=O)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 753228813 KJTOCYZNMWFAPJ-GOSISDBHSA-N 438.597 5.218 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cc3ccc(C)cc3o2)cs1 754824524 LIBAACAOQONDGM-JXMROGBWSA-N 436.920 6.432 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccccc3NC(=O)OC(C)(C)C)n2)cc1 756516073 QIMTXWSLFKHMIM-LJQANCHMSA-N 447.560 5.885 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cc(F)cc(F)c2O)cs1 757476829 UBZSQZGCMIRSCE-QPJJXVBHSA-N 434.851 5.361 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 759392291 OTOMPHHCUGESKG-AEFFLSMTSA-N 446.601 5.598 30 20 IKED N#Cc1ccccc1COc1cccc(/C=C/C(=O)c2c(F)cccc2N2CCOCC2)c1 764436913 XOXKQHOPHGYMAG-VAWYXSNFSA-N 442.490 5.009 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)c1ccc(Br)cc1 766623481 ROCTXTUVNLCTDN-LIRRHRJNSA-N 427.342 5.025 30 20 IKED CCN1CCN(c2cccc(NC(=O)c3ccccc3Sc3ccccc3C#N)c2)CC1 770144827 XMPPYXHQFKBSQC-UHFFFAOYSA-N 442.588 5.104 30 20 IKED CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)Nc1ccccc1O[C@H](C)C#N 770653298 NGGIBAYHYFGUSB-GDBMZVCRSA-N 428.330 5.109 30 20 IKED CCCN(C(=O)c1ccccc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)C(C)C 771529415 ZDYMAZFZSRYLNY-ISKFKSNPSA-N 432.568 5.251 30 20 IKED C=CCn1c(-c2cccs2)nn(CN2CC=C(c3ccc(Cl)nc3)CC2)c1=S 773258990 IISQDSPSAFFUDU-UHFFFAOYSA-N 430.002 5.124 30 20 IKED Cc1ncsc1/C=C\C(=O)C(c1nc2ccccc2s1)c1nc2ccccc2s1 777284969 BDSZGSQKJOVOBY-KHPPLWFESA-N 433.583 6.085 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 778391211 KZBHVONQQQFCOU-FYYLOGMGSA-N 430.479 5.218 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(COc2ccc(Br)cc2)o1 780163329 YLJXWLBIWPSLLG-CQSZACIVSA-N 441.281 5.164 30 20 IKED N#CC1(COC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)CCOCC1 780542065 LGAXNBPJHMIOHB-UHFFFAOYSA-N 425.481 5.341 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)OCc1ccc(C2(C#N)CC2)cc1 782429340 SZOKYQNKXIKFOX-UHFFFAOYSA-N 426.394 5.581 30 20 IKED CC[C@H](NC(=O)[C@H](C#N)C(=O)c1cc2cc(Br)cc(C)c2o1)c1ccccc1 787036199 HQAPFIOPLNMXEN-MSOLQXFVSA-N 439.309 5.094 30 20 IKED N#Cc1ccc(SCC(=O)O[C@H](c2ccccc2)c2nc(-c3ccccc3)no2)cc1 787693235 UCDPWQFAIWDQHM-JOCHJYFZSA-N 427.485 5.033 30 20 IKED C#CCn1ccc(CN(CC)C(=O)Nc2ccc(-c3nc4cc(F)ccc4s3)cc2C)n1 788658414 RICQZBUQEHLDHK-UHFFFAOYSA-N 447.539 5.295 30 20 IKED C[C@@H]1CN(c2ccccc2F)CCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 789033601 PFEUCBMVHDSKRW-AUSIDOKSSA-N 428.511 5.224 30 20 IKED CN(C)C(=O)c1ccc(C(=O)/C=C/c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 792924882 HOZIOKCJBBFJMN-QLKAYGNNSA-N 434.423 5.124 30 20 IKED CCOc1cc(C=NOCc2ccccc2OC)cc(Br)c1OC(F)F 799117121 ISVDVZLIKMTCKC-UHFFFAOYSA-N 430.245 5.009 30 20 IKED C[C@H](Cc1cncc2ccccc12)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 805856321 XNGOPWCRSUVUCE-VFNWGFHPSA-N 431.948 6.067 30 20 IKED COCc1ccccc1/C=C(\C)C=Nn1cnc2sc(C)c(-c3ccccc3)c2c1=O 814215396 OTPIOCXPILIQBF-CUAYRPNCSA-N 429.545 5.517 30 20 IKED COc1cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCc1ccncc1 912781199 YDDDNBLHPQAIQY-UHFFFAOYSA-N 446.385 5.042 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)c(OC)c1 916682728 APWFUJAGHQFJSH-UHFFFAOYSA-N 438.528 5.358 30 20 IKED N#C[C@@H](C(=O)CN1CCC[C@H]1c1cccc(Br)c1)c1nc2ccccc2s1 917163102 BVRHWHYTPXJPDK-WMZOPIPTSA-N 440.366 5.072 30 20 IKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccsc2)c1 917668833 HMFUEPVDMMISKZ-HXUWFJFHSA-N 435.574 5.217 30 20 IKED Cc1cccc(CN(Cc2ccco2)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 919652874 SNTPDRVUEDAXJD-MHZLTWQESA-N 435.527 6.478 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCC(=O)c3ccc4c(c3)CCCC4)n2)cc1 920139679 XOYUACWOMUYCDH-JOCHJYFZSA-N 444.556 5.537 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3cccc(C(F)(F)F)c3)n2)cc1 920140144 CFGWIYYTQDCRSO-KRWDZBQOSA-N 443.475 5.669 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccc2nc(O)oc2c1 1287385647 PCWIEYSWNINKHA-ZDUSSCGKSA-N 433.851 5.342 30 20 IKED Cc1nc(NCC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c2cc(-c3ccccc3)sc2n1 1557130042 QLMKYGDGDIFDLV-INIZCTEOSA-N 441.560 5.170 30 20 IKED C[C@H](C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C#N)cc3)cc2)CCC1)c1cccs1 1785884110 ATOUEVFJRSWGOR-SFHVURJKSA-N 443.572 5.100 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4cnccc4n3)CCC2)cc1 1789453651 DLHMAFCABCKJGR-QFIPXVFZSA-N 440.547 5.146 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)Cc3ccc(F)cc3Cl)CC2)C1 1805452184 ROLUMGXZVLYDQZ-UHFFFAOYSA-N 446.994 5.021 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3cnccc3c2)n[nH]1 1818641893 NAPCOMUATNHBLZ-QFIPXVFZSA-N 445.567 5.256 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CCc3ccccc32)n[nH]1 1822523916 JCBNPVXVBAXAGJ-UNMCSNQZSA-N 434.584 5.124 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCCCC2(F)F)CC1 1824642264 OAIPOGLKSYOHEV-RTWAWAEBSA-N 438.603 5.424 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1 1824873163 XCOXCCINMIDZTH-LJQANCHMSA-N 430.555 5.331 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc(Cl)ccc2F)CC1 1825360083 MEEMOTUQMUXLMK-LJQANCHMSA-N 449.998 5.100 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc(C(C)C)cs2)CC1 1825386043 PNWYVWJGQDFGCW-NRFANRHFSA-N 445.673 5.492 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)oc2C(F)(F)F)CC1 1825962042 BYUOEWBFLFEEFN-KXBFYZLASA-N 440.506 5.052 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccccc3n2C)CC1 1828828220 FQHVMDACHDDJIA-ZCYQVOJMSA-N 447.623 5.180 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCn2cccc2)CC1 1829035185 MDJNOAKNWLBZEL-XMMPIXPASA-N 441.660 5.271 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(F)cc2F)CC1 1830475645 PZNOAUWRAHOZEW-VFNWGFHPSA-N 438.946 5.064 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccncc23)CC1 1830862010 MWFHWRRPUAOGKQ-JYFHCDHNSA-N 445.607 5.237 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)ccc2OC)CC1 1832596499 CNHRUFKTORLHEQ-QFIPXVFZSA-N 444.591 5.060 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)CCC)nc2scc(-c3cccs3)c2c1=O 21953649 SYAHPLVITYZCRZ-KGLIPLIRSA-N 447.651 5.158 30 20 IKED C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 36023187 OYGOCTVNGOYEQY-LRSOKBAUSA-N 448.592 5.158 30 20 IKED COc1c(C)cnc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C 58628579 WPMOANQJORDNEY-OAQYLSRUSA-N 448.954 5.680 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 63401400 KCSIQHYSYRTGLG-HXUWFJFHSA-N 438.531 5.269 30 20 IKED COc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1OC(F)F 108375492 YDGPUSZUSPWMFM-UHFFFAOYSA-N 438.430 5.194 30 20 IKED C=CCN(C(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1nc(-c2ccccc2)cs1 302948243 LYGQLFZOFNYYBA-WOJBJXKFSA-N 447.604 5.252 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 303040526 PSIYVHKTSAYIGK-UHFFFAOYSA-N 438.506 5.661 30 20 IKED CC(C)c1oc([C@H]2CCCN2Cc2nnc(-c3ccc(C#N)cc3)o2)nc1-c1ccccc1 427030721 VUFCNJCQTAAOFQ-OAQYLSRUSA-N 439.519 5.724 30 20 IKED Cc1c(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)sc2ccc(C#N)cc12 428207051 MNGCFBWKHCMHPM-UHFFFAOYSA-N 433.920 5.961 30 20 IKED Cc1nc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cs1 429350538 BZZPEAIWLXWELA-HXUWFJFHSA-N 438.940 6.138 30 20 IKED CC(=O)N(c1nc(CN[C@@H](CCCC#N)c2ccccc2)cs1)c1c(C)cc(C)cc1C 433011058 MPQULGNEJJYMDJ-DEOSSOPVSA-N 446.620 6.278 30 20 IKED C=CCC[C@H](NC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccccc1 435761603 GJQYHCYFWVYBHB-UNMCSNQZSA-N 434.515 5.472 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccccc2OC[C@H]2CCCO2)cc1F 437498305 HYJPMKMZUGKRFF-LJQANCHMSA-N 432.451 5.300 30 20 IKED C=C(C)Cn1c(S[C@@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)nnc1-c1ccncc1 438899332 ZFQXPUORCGXQCP-QGZVFWFLSA-N 449.363 5.229 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3cccc(-c4ccccn4)c3)c2)c1 439301771 ACFRHNYIQSSCNY-UHFFFAOYSA-N 447.498 5.194 30 20 IKED CCCc1c(NC(=O)N2CCC[C@H]2c2ccccc2OC)cnn1-c1cccc(C#N)c1 439691529 HXSCKPJGDWKPMF-QFIPXVFZSA-N 429.524 5.074 30 20 IKED C=CCC[C@H](NC(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2)c1ccc(C(F)(F)F)cc1 440832060 LGZQSIIZNAXUMS-KDOFPFPSSA-N 447.457 5.104 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1NC(=O)CC(C)C 442873927 PWVFAIZUINCRST-FQEVSTJZSA-N 442.544 5.465 30 20 IKED Cc1cccc2nc(C3CCN(C(=O)Nc4ccc(C#N)c(C(F)(F)F)c4)CC3)oc12 444850628 PTLKCBPWJZHTLB-UHFFFAOYSA-N 428.414 5.438 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(c4noc(C5CC5)n4)CC3)cc2)c1 462270266 UMRAIISEYSLDIW-UHFFFAOYSA-N 429.480 5.022 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 463150170 WGUHBBCQQYHONO-UHFFFAOYSA-N 427.338 5.530 30 20 IKED COCCOCc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 463592957 SSCFQALMANHPPM-HSZRJFAPSA-N 434.923 5.411 30 20 IKED C[C@H](NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccc(OCC(F)(F)F)cc1 465733685 XYORCIFTRCELAW-NDXORKPFSA-N 431.458 5.170 30 20 IKED N#CCSCCCSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 466623620 TVDJOTDDYAWYCL-UHFFFAOYSA-N 449.432 6.039 30 20 IKED CCOCCOc1ccc(Cl)cc1NC(=O)c1cn(CCCC#N)c2ccccc12 468760701 AKIUEEPIZNMBCW-UHFFFAOYSA-N 425.916 5.266 30 20 IKED COc1cc(CN2C[C@H](c3ccsc3)O[C@H](C)C2)ccc1OCc1cccc(C#N)c1 470196512 ZQZQIDSLPGXXOF-IQGLISFBSA-N 434.561 5.169 30 20 IKED N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)cc1 470880944 SQCLLDCNDXNAOV-HXUWFJFHSA-N 449.432 5.477 30 20 IKED Cc1nc(CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)oc1-c1ccc(Cl)cc1 473675485 LKDXANNKKSLQQW-NHCUHLMSSA-N 434.927 5.285 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)c1ccccc1Br 473781085 DHJLGXLJIWPHRU-OAHLLOKOSA-N 442.382 5.181 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)CCc2nc(C3CCCC3)no2)c1 474678118 AICKCTIOQBZPSH-UHFFFAOYSA-N 434.927 5.418 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@@H](C)c1nc(-c2ccccc2)no1 476202321 YXMQPMAVYRDIMQ-HOTGVXAUSA-N 438.578 5.564 30 20 IKED C[C@H](N[C@H](c1ccccc1F)c1nccn1C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 480332656 JCOFMFXTSZYJFG-KPZWWZAWSA-N 445.382 6.037 30 20 IKED COc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c(OCCC(C)C)c1 482590590 IHSJDXONCXUYBV-KRWDZBQOSA-N 427.451 5.355 30 20 IKED Cn1ncc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1Cc1ccccc1 485885830 YCRSLQUDILANGX-UHFFFAOYSA-N 426.451 5.066 30 20 IKED CCNC(=O)Nc1ccc(C)c(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1 487688785 JOPFSKIBBLIKQM-UHFFFAOYSA-N 428.492 5.361 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](COc1ccccc1F)C(C)(C)C 490254013 XDCKHYJSPAGPRA-HRAATJIYSA-N 429.561 5.835 30 20 IKED O=C(Nc1cc(F)c(OC(F)F)cc1F)N[C@H](CC(F)(F)F)c1ccc(F)cc1 491419826 WZXFXPOPEMZJQP-CYBMUJFWSA-N 428.279 5.521 30 20 IKED N#Cc1cc(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)ccc1Cl 494679594 NUZSBMACEWVZLI-UHFFFAOYSA-N 444.672 5.072 30 20 IKED C=CCn1c(SCc2nc(-c3ccc(OCC)cc3)no2)nnc1-c1ccc(F)cc1 496865278 CKSLSHADMBIBJP-UHFFFAOYSA-N 437.500 5.011 30 20 IKED N#CC1(c2ccccc2)CCC(Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)CC1 501019071 PGVSPBSLZMVDAY-UHFFFAOYSA-N 427.523 5.823 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)cc1 502328402 WEBOCOPGNLSXJU-UHFFFAOYSA-N 446.555 5.180 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)c3cccnc3SCc3ccc(F)cc3)n2)c1 502371147 JVRCOUODRXHXPY-UHFFFAOYSA-N 446.532 5.760 30 20 IKED CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 503274271 HGWAAQBDFYDAMI-IERDGZPVSA-N 444.000 5.386 30 20 IKED CN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 504070487 QTZWZRRFQQXRPU-UHFFFAOYSA-N 441.865 5.733 30 20 IKED C=CCN(Cc1ccccc1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 505379296 JEXVTOZQXJVKFH-QFIPXVFZSA-N 432.486 5.571 30 20 IKED C[C@@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1nc2ccccc2n1C(F)F 508558986 DDFLYPCIWPUBBK-MRXNPFEDSA-N 446.457 5.373 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cnn(-c3ccccc3)c2)cc1Cl 510023628 NVOZSNVUFULGPS-HSZRJFAPSA-N 441.922 5.503 30 20 IKED CN(Cc1nccn1C(F)F)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510055936 MRAUDMUVZYGVFS-KRWDZBQOSA-N 429.858 5.251 30 20 IKED COc1ccc2[nH]cc(C3CCN(C(=O)Nc4cc(C#N)ccc4OC(C)C)CC3)c2c1 510698069 JDKUTWGREWWHAP-UHFFFAOYSA-N 432.524 5.247 30 20 IKED CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1C(C)C 512273893 JFNFNSRICBLMBH-UHFFFAOYSA-N 429.520 5.547 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1F)c1cnn(-c2ccccc2F)c1C(F)(F)F 512481389 YTHATMZLCXWBBO-UHFFFAOYSA-N 433.283 5.023 30 20 IKED CC(C)(CCC#N)CNC(=O)N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 513124290 QJDCRLUDPUQDFP-QHCPKHFHSA-N 439.003 5.087 30 20 IKED Cc1nc(CSc2ccc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cc2)cs1 513182876 YUAIOSJUZLQHNP-KRWDZBQOSA-N 433.480 5.648 30 20 IKED Cc1ccc(Sc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)cc2[N+](=O)[O-])cc1 513656218 ZAPMWJLENKRDAY-SFHVURJKSA-N 442.500 5.431 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21 517473225 KKNOZAKEJZRJNV-AVRDEDQJSA-N 443.572 6.251 30 20 IKED CCc1ccc(-c2nc(CC(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)cs2)cc1 517680520 CYIVWYKBMAANFX-GOSISDBHSA-N 430.360 5.603 30 20 IKED N#Cc1ccc(Oc2cccc(NCC(=O)N[C@@H](c3ccccc3)c3cccs3)c2)cc1 517934535 XEFMRMCTKWSCOB-SANMLTNESA-N 439.540 5.730 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3[nH]c4ccccc4c3Br)cc2)c1 518742093 UJZHNCIOIPGMOY-UHFFFAOYSA-N 432.277 5.847 30 20 IKED CC(C)[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1nc(-c2cccnc2)no1 518755393 HJDZBWOSQQGLLQ-DNVCBOLYSA-N 436.541 5.045 30 20 IKED CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c(C)c1 519025764 VIEXNGASJTWLRK-IBGZPJMESA-N 441.531 5.226 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CSCC(=O)c1ccccc1 520357648 GUIMJCPIFZFNRF-UHFFFAOYSA-N 432.520 5.155 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)o2)cc1 524379455 FHPCHWUSZXEYID-UHFFFAOYSA-N 433.464 5.169 30 20 IKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N(c1cc(C)ccc1C)C(C)C 524464012 NMMISTCCRGPBSS-UHFFFAOYSA-N 445.357 5.157 30 20 IKED N#Cc1ccc(CN2CCC(N[C@@H](COCc3ccccc3)c3ccccc3)CC2)cc1 537305665 FEAUSAYVYFFLOW-NDEPHWFRSA-N 425.576 5.070 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1ccc(Cl)cc1)C1CCC1 538208389 RNBFVCFRZHTFAK-HJPURHCSSA-N 428.001 5.804 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCn4c(cnc4C4CCCCC4)C3)s2)cc1 541396625 LGVZNPPIVQRXFS-HXUWFJFHSA-N 445.592 5.051 30 20 IKED O=C(Nc1ccccc1CCC(F)(F)F)N[C@H](c1cccc(F)c1F)C(F)(F)F 542396318 GQDVHFXCRYCQQA-OAHLLOKOSA-N 426.307 5.885 30 20 IKED CC[C@H](NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1nc(C(F)(F)F)cs1 542568654 KJKHQTWULRWOBR-STQMWFEESA-N 442.532 5.236 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2ccc(Br)cc2C(F)(F)F)C2CC2)cc1 543291921 ANNHIFPCKVFZHX-UHFFFAOYSA-N 438.247 5.536 30 20 IKED Cc1cc(NC(=O)N(CCC#N)CC2CC2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 543623141 NWEBUBMILFJQQI-UHFFFAOYSA-N 425.842 5.011 30 20 IKED C[C@@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 550249543 TWJRWJUNGYBTSZ-KRWDZBQOSA-N 440.478 5.037 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccccc1-c1cnn(C)c1 550699554 JKXIBKWYMSDJLU-UHFFFAOYSA-N 437.503 5.381 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3cc(C#N)ccc3Cl)C2)n1 552222262 PNPXFWDBFZWLAF-INIZCTEOSA-N 437.952 5.364 30 20 IKED C[C@H](Cc1cncc2ccccc12)C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 564144007 ODXMZMWOMBNIJM-HRFSGMKKSA-N 435.527 5.373 30 20 IKED C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1ccc(Br)s1 576335753 VJKHVRYVGJUUCW-MRXNPFEDSA-N 440.370 5.168 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)C(C)(C)c1csc(-c2c(F)cccc2Cl)n1 576672578 WWUVEVXKJUFXCO-UHFFFAOYSA-N 427.932 5.410 30 20 IKED C=CCn1c(SCc2nc(-c3ccn(C)c3)no2)nnc1-c1ccc(Cl)cc1Cl 578099095 CALVJJGDAHMBNZ-UHFFFAOYSA-N 447.351 5.119 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3ccccc3OCc3cscn3)cc2)ccn1 582332962 NYOWHOQXRYTSHC-UHFFFAOYSA-N 428.473 5.033 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 599510508 MNEKNCVJZTVOKD-QWHCGFSZSA-N 437.311 5.650 30 20 IKED CN(Cc1ccc(Br)cc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 603650200 UXCOSTCFVRRCST-UHFFFAOYSA-N 441.354 5.032 30 20 IKED CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)c12 603727507 URINUCAEUYGEEM-UHFFFAOYSA-N 429.505 5.471 30 20 IKED CSCc1c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)oc2ccccc12 603740168 RZTVIBMDPJWQFD-UHFFFAOYSA-N 429.501 5.916 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCc4c(Br)cccc4C3)cn2)cc1 604554792 ZAROVHSORUUBAQ-UHFFFAOYSA-N 449.308 5.098 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 608915802 VPGJIXXIHGRUAY-XMMPIXPASA-N 442.950 6.310 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C3(c4cccc(Cl)c4)CCOCC3)cc2)c1 609064091 UUIQYJVCDBEYQF-UHFFFAOYSA-N 446.934 5.478 30 20 IKED Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)o2)cc1 609064911 OEFAQGPDNCSTHU-UHFFFAOYSA-N 437.499 5.672 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc(-c3cccs3)nc3ccccc23)n1 609256513 CAFVRQCTXYQGPM-OAHLLOKOSA-N 433.514 5.087 30 20 IKED COc1ccc(/C=C(/CC(=O)O)c2nc3cc(Cl)ccc3s2)cc1OCCCC#N 609322716 JFZKUXZPARNVOW-GDNBJRDFSA-N 442.924 5.656 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1nc(-c2ccccc2)cs1 609339400 NOXVBSPUQSXHDJ-INIZCTEOSA-N 441.516 5.752 30 20 IKED CCOc1c(Cl)cc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1OC 609399280 LKMJWLNRSVZETB-CQSZACIVSA-N 433.961 5.321 30 20 IKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c12 609428500 QIPDCDXKSDFLSJ-CQSZACIVSA-N 447.589 5.652 30 20 IKED CC(C)C[C@H](C)Oc1cc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)ccn1 609555639 YIASEMPQYBAVJY-ROUUACIJSA-N 426.586 5.468 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1nc(-c2cccc(Cl)c2)no1 609663974 QEGCBPOCSBZHCE-UHFFFAOYSA-N 446.919 5.343 30 20 IKED COc1ccc(Br)cc1-c1nc(CSc2ccc(C#N)cc2F)cs1 610164578 ANAXZDBEQMHRQN-UHFFFAOYSA-N 435.343 5.884 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 610224352 ZZWLDXSRVFRZEO-QZTJIDSGSA-N 427.253 5.560 30 20 IKED N#CCCCOc1cccc(CN[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c1 610271703 TYONECOEIABIBZ-SANMLTNESA-N 448.950 5.673 30 20 IKED N#Cc1ccc(CNC(=O)N[C@H](c2cc(F)ccc2F)c2ccccc2Cl)c(F)c1 610402607 VWNYVFROOCZURB-NRFANRHFSA-N 429.829 5.218 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](Cc3ccncc3)C2)cc1Cl 611815228 CNWGTNHJVFYEJJ-XXBNENTESA-N 430.939 5.487 30 20 IKED CC(C)(C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(Cl)c1F 681223000 FZCXRXLKSBVTMT-NXEZZACHSA-N 433.795 5.782 30 20 IKED N#Cc1cccc(COc2ccc(NC(=S)Nc3ccc(Cl)nc3)cc2Cl)c1 727979048 UIXWJIKAHXCSMZ-UHFFFAOYSA-N 429.332 5.648 30 20 IKED Cc1csc(Nc2cccc(NC(=O)c3occc3COc3cccc(C#N)c3)c2)n1 729337063 SSGFOQKRKOPGAK-UHFFFAOYSA-N 430.489 5.491 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCCO[C@H](c3ccccc3)C2)c1=S 729852161 OEANQEMWUOJLRZ-NRFANRHFSA-N 441.000 5.342 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Oc1c(Cl)cc(C#N)cc1OCC)O[C@H](C)C2 730469610 IRQWNKAKOMNJHB-SKDZVZGDSA-N 441.911 5.042 30 20 IKED N#C[C@@H](C(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1ccc2ccccc2n1 730688080 ZCXVBTIMIDZZFA-CLOONOSVSA-N 430.866 6.024 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cc1coc2cc3c(cc12)CCC3 731063917 SUUYNJRFGQGVKP-INIZCTEOSA-N 448.544 5.040 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1sccc1SC(F)F 731076313 BNGZQGRKLHMTKA-LLVKDONJSA-N 442.534 5.110 30 20 IKED N#C[C@H](C(=O)[C@H](c1ccccc1)N1CCCCC1=O)c1nc(-c2ccc(Cl)cc2)cs1 733679994 RIGPSVFUMKGPQW-KNQAVFIVSA-N 449.963 5.394 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1)c1nc2ccccc2o1 733681738 ZLVAOCJBVOPWLF-SKRQURTPSA-N 447.922 5.131 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(OCc3cccnc3)cc2)c1 734102650 CVJFPGOTNVLEDF-UHFFFAOYSA-N 435.483 5.364 30 20 IKED Cc1cc(-c2csc(NC(=O)c3ccc(C#N)nc3)n2)c(C)n1Cc1ccccc1Cl 734314174 GTPKWNUXEWOSMD-UHFFFAOYSA-N 447.951 5.449 30 20 IKED C[C@H](OC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nnc(-c2cccs2)o1 741817567 AQVLFAIRPVMHNQ-HNNXBMFYSA-N 447.541 5.880 30 20 IKED O=C(/C(=C/c1ccc(Oc2cnccn2)cc1)c1nc2ccccc2s1)c1ccccc1 743058960 PTBADYCPZSZYLF-PGMHBOJBSA-N 435.508 6.302 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc1 743472787 JRYWFJZFJJDNAE-IBGZPJMESA-N 448.954 5.370 30 20 IKED CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(C#N)o2)NC(=O)N1c1ccc(C)cc1C 743744660 MKLQDYWNXHAOIE-HSZRJFAPSA-N 444.466 5.091 30 20 IKED C/C(=C/C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 748186712 SJWAWHPJEWJZPB-DNFKICFMSA-N 433.314 5.698 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(F)cc2F)cc(Br)c1OC(F)F 750902211 JFHWCZWQEAACOV-UTCJRWHESA-N 433.195 5.624 30 20 IKED CCc1noc(-c2ccc(C)c(NC(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)c2)n1 751052380 ZUBBSOJLWBPESX-UHFFFAOYSA-N 425.492 5.139 30 20 IKED N#Cc1ccc(NC(=S)N(Cc2csc(Br)c2)C2CC2)cc1Cl 752777807 SOGOFWIXUKWEFE-UHFFFAOYSA-N 426.792 5.397 30 20 IKED O=C(/C=C\c1ccc(F)c(C(F)(F)F)c1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 755602573 WKSUHFBZUDKITE-WAPJZHGLSA-N 440.336 5.077 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1=S 764948314 ZVNBDMBEFPISFS-DHIUTWEWSA-N 449.624 5.109 30 20 IKED Cc1c(Cl)cccc1N=C1SCCN1C(=O)c1cccc(COC2CCOCC2)c1 769617071 SFWHEHVRTQVCJP-UHFFFAOYSA-N 444.984 5.221 30 20 IKED CN1C(=O)N(c2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C(=O)[C@H]1Cc1ccccc1 771818789 OLKAZVXIZKHBOA-JTHBVZDNSA-N 429.907 5.005 30 20 IKED CN(Cc1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1)C(=O)OC(C)(C)C 777640414 CLECVDVAHSYNSI-UHFFFAOYSA-N 434.584 5.002 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSC1CCN(C(=O)OC(C)(C)C)CC1 778773283 LUQSNICTTLQQAY-MRXNPFEDSA-N 449.642 5.010 30 20 IKED CC1(C#N)CCN(Cn2nc(-c3ccc(Cl)cc3)n(Cc3ccccc3)c2=S)CC1 779880001 VRVWTAMESRLFLM-UHFFFAOYSA-N 438.000 5.366 30 20 IKED C[C@@H](NC(=O)c1coc(CNC(=O)OC(C)(C)C)c1)c1ccc(-c2cccc(C#N)c2)cc1 781010956 BPUHHNJZCMJNMU-QGZVFWFLSA-N 445.519 5.334 30 20 IKED Cn1cc(CN[C@@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)c(-c2ccc(C#N)cc2)n1 782782731 GUMBPMKJISAHLO-HSZRJFAPSA-N 443.551 5.083 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(C(F)(F)F)cc3)n2)cc1 783072789 VHAFRFBSFOIONN-UGSOOPFHSA-N 446.450 5.481 30 20 IKED Cc1cc2c(Br)ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)c2o1 785881317 WNWUBOXRDUXJQT-CYBMUJFWSA-N 431.673 5.118 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccccc3SC(F)(F)F)ccc21 787523888 DCIGJTRMPFYBKB-UHFFFAOYSA-N 433.455 5.134 30 20 IKED C[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 795983297 PISISMQWFLTPMQ-GOEBONIOSA-N 429.398 5.447 30 20 IKED CCOc1ccc(-c2nc(CC)c(C(=O)[C@@H](C#N)C(=O)Nc3cccc(C)c3)s2)cc1 796630198 BUMOAONZUNIABU-LJQANCHMSA-N 433.533 5.041 30 20 IKED COc1cccc(C2(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)CC2)c1 796798175 MHZJAAKBFYIHOL-KRWDZBQOSA-N 443.355 6.034 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccccc1Oc1ccncc1 802123675 RCSHDPOEHPBDEB-UHFFFAOYSA-N 429.263 5.202 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccccc1CSc1nc(C)cs1 804559647 CGOKRCZVQICNOG-UHFFFAOYSA-N 440.638 5.740 30 20 IKED Cc1nn(C)c2sc(C(=O)/C=C\c3csc(COc4ccc(Cl)cc4)n3)cc12 806576899 JQZVOPDSAWIYLS-YVMONPNESA-N 429.954 5.528 30 20 IKED COc1cc(/C=C\C(=O)c2cc(Cl)c(N)c(Cl)c2)cc(OC)c1OCC(F)F 809157287 JHSJUNRQSRZIIT-ARJAWSKDSA-N 432.250 5.133 30 20 IKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3cccs3)C2=O)cc1 837516713 GZZNCLBYTBFYPD-FQEVSTJZSA-N 435.574 5.217 30 20 IKED Cc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@H](C)c2cc(C)sc2C)c1 914690842 HBGLSZPIAKRWEJ-QRWLVFNGSA-N 441.622 5.035 30 20 IKED CC(C)[C@H](NC(=O)c1cccs1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915101887 NVMALCFOBGIOTA-YJBOKZPZSA-N 443.981 5.156 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1 915179711 GTJVYUHBQSVNFL-HSZRJFAPSA-N 443.959 6.300 30 20 IKED CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=S)Nc1ccccc1C#N 915995616 GRSUZUKLUUEJCU-UHFFFAOYSA-N 425.510 5.411 30 20 IKED Cc1cc(C)c(NC(=S)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(Cl)c1 916025640 HYTHJXMXHXEMMN-UHFFFAOYSA-N 435.980 6.411 30 20 IKED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)c1nc2cc(Cl)ccc2s1 917046999 OHJIARZXBXWWHX-QAPCUYQASA-N 445.931 5.332 30 20 IKED C=CCn1c(-c2cccc(C)c2)nn(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c1=S 917430366 IXZUGGXRVMJXIA-HXUWFJFHSA-N 445.592 5.554 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccsc3)C2=O)c1 917675566 OOMXZFQIAAMREP-OAQYLSRUSA-N 449.601 5.525 30 20 IKED COc1ccccc1SCc1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCCCC1(F)F 1768987542 IOFWWVYUEVJIQF-DLBZAZTESA-N 449.571 5.000 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc4c(F)cc(F)cc4[nH]3)cc2)CCC1 1788985879 BXFFEBYWDNKMAT-UHFFFAOYSA-N 449.501 5.387 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(F)cc(Cl)cc1Cl)C2 1798340422 ZMONRTATGHJALV-YVSFHVDLSA-N 439.358 5.153 30 20 IKED CC[C@H](C)[C@@H](C(=O)N1CCC2(CCCN(C(=O)[C@H](S)C(C)C)C2)CC1)c1ccccc1 1806060759 NQRXZDAXWZUWJZ-MDNUFGMLSA-N 444.685 5.002 30 20 IKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1 1812596434 QXMBMSOTYFATCH-ODGPQVTHSA-N 427.633 5.296 30 20 IKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1821857094 NXDSOVBSWFRMNX-SIKLNZKXSA-N 428.964 5.071 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823212550 VPTZUXNPRDPCPD-FDDCHVKYSA-N 445.567 5.111 30 20 IKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2F)c1 3608766 MCSANNQGUGEQMM-UHFFFAOYSA-N 444.915 5.113 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cccc(C)c2)cc1 10167515 GGPUQXXRPFENPZ-UHFFFAOYSA-O 429.609 5.775 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2c(C)cccc2C)cc1 11153494 KGZYMBOPTXKZLJ-UHFFFAOYSA-O 439.551 5.873 30 20 IKED N#Cc1ccc(OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)c(Cl)c1 18963707 KJWOXXSYUHUBFP-MRXNPFEDSA-N 427.938 5.091 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1nc2ccccc2n1C(F)F 25520273 ZGBZPSPBQHZICN-UHFFFAOYSA-N 445.470 5.219 30 20 IKED C=CCOc1c(Br)cc(CNCc2cccc(Br)c2)cc1OC 63775661 MXAIYDVQCPUCBW-UHFFFAOYSA-N 441.163 5.075 30 20 IKED COc1ccc([C@@H](CNC(=O)Nc2cc(C#N)ccc2OC)c2c[nH]c3ccccc23)cc1 64743009 YJHVAUCEDKBTKE-OAQYLSRUSA-N 440.503 5.010 30 20 IKED CC(C)C(=O)Nc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 108374429 HBEZKSWHUWSETA-UHFFFAOYSA-N 427.504 5.178 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1 108437872 GRBOZDZYJOMXKT-UHFFFAOYSA-N 435.495 5.250 30 20 IKED CN(c1ccccc1)c1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cn1 195707113 PPUDGPAXUOQRRH-UHFFFAOYSA-N 448.526 5.747 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C)nc2cc(Br)ccc12 302998594 NVEKSSFLQIBRBM-UHFFFAOYSA-N 440.297 5.042 30 20 IKED Cc1noc(C[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c2ccccc2)n1 429765428 KLNNPFKXIZZAOQ-HSZRJFAPSA-N 439.475 5.148 30 20 IKED O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)NCc1c(F)cc(F)c(F)c1F 430816079 WQASNTYKVICEDL-UHFFFAOYSA-N 436.352 5.121 30 20 IKED N#CCC1(CNC(=O)c2ccccc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 431094735 CAUFKCRHIVBNTG-UHFFFAOYSA-N 448.375 5.148 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c(Cl)cc(F)cc2Cl)cc1 431624073 KFHINEXCWYUIAH-UHFFFAOYSA-N 431.250 6.057 30 20 IKED Cc1cccc(CN(Cc2cccc(C)n2)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)n1 435167868 FRMOQYIEIMXAQP-UHFFFAOYSA-N 439.441 5.218 30 20 IKED COc1cc(Br)cc(C)c1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 436150300 SLEZOHRUDKONOX-QZTJIDSGSA-N 428.330 5.070 30 20 IKED CCN(CC1CCN(c2ccccn2)CC1)C(=O)Nc1ccccc1S[C@@H](C)CC#N 438082131 UKQZTHGHDKRLAU-IBGZPJMESA-N 437.613 5.246 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@H](C)C[C@H]2c2ccccc2F)cc1 438172589 AFJGPNPHGBPFTD-HXOBKFHXSA-N 445.494 6.113 30 20 IKED N#CCC[C@H](NC(=O)Nc1ccc(Br)cc1Br)c1ccccc1 439309106 CVXSWNLMSURMTO-HNNXBMFYSA-N 437.135 5.378 30 20 IKED CN(Cc1ccccc1NC(=O)NCC1CCC(C#N)CC1)C(=O)c1cc2ccccc2o1 441680259 IICKBQSWBDSCNB-UHFFFAOYSA-N 444.535 5.156 30 20 IKED C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)cc1 442066582 UUSPBPVQWJUVOK-HNNXBMFYSA-N 435.936 5.642 30 20 IKED CCCc1c(NC(=O)c2ccc(-c3csc(C)n3)cc2)cnn1-c1cccc(C#N)c1 442769886 OOQXWLZQULRHMY-UHFFFAOYSA-N 427.533 5.381 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)c(C(F)(F)F)c1 448203002 WQYMPRQXRYEXBN-CYBMUJFWSA-N 445.466 6.375 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCn2c(C(C)C)nnc2[C@H]1C 460373410 HAFLMESIKHIZCG-CQSZACIVSA-N 446.386 5.124 30 20 IKED C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1 464414079 ZYIPJQBRVWTMIA-UHFFFAOYSA-N 438.524 5.040 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 468165235 SGYUUMONVOGKEL-OAQYLSRUSA-N 448.567 5.818 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)c1C#N 473387058 HMQSMSIEICYHIV-UHFFFAOYSA-N 445.932 5.116 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@H]1CCCC[C@H]1N(C)C1CCN(C)CC1 475564302 ACHIXLRDRXDGHD-RPBOFIJWSA-N 440.676 5.339 30 20 IKED CN1CCC[C@H](CNC(=O)C[C@H](CC#N)c2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1 476076159 CQKYDINWQGDZOL-YZUZCNPQSA-N 443.513 5.292 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3ccc(C(C)(C)C#N)cc3)C2)n1 477091296 QWKJCVRUSQXPNS-LJQANCHMSA-N 445.588 5.640 30 20 IKED CC(=O)Nc1cc(O[C@@H](C)c2cccc(C#N)c2)c(Br)cc1Br 478824593 VGKRAHYKZHXSJM-JTQLQIEISA-N 438.119 5.182 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)[C@H](OC)c2ccccc2Cl)cc1 480847021 RXZSKBMEKWQBJA-VGSWGCGISA-N 441.959 5.052 30 20 IKED N#Cc1cccc(OCCCSc2nnc(-c3ccccc3F)n2Cc2ccco2)c1 481338672 DKTVAHNZJOWBNT-UHFFFAOYSA-N 434.496 5.158 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3cccc(O)c3)C2)cc1Cl 483043528 AZRLMIHUZTVAKY-UPVQGACJSA-N 447.922 5.306 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[C@H](C#N)c3cnc4ccccc4n3)cc12 483242923 YECMOCYKACIZHD-QGZVFWFLSA-N 443.919 5.482 30 20 IKED C=C(C)[C@H](NC(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21)c1ccc(F)c(F)c1 483303081 LNPBOQDDQGVYAP-NYHFZMIOSA-N 447.913 5.027 30 20 IKED C=CCN(C(=O)CCc1ccnn1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 483935200 SINXFGDARYZBOB-UHFFFAOYSA-N 428.561 5.362 30 20 IKED CCc1c(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cnn1-c1cccc(Cl)c1 485324103 TUWFFZHLTYPTQM-UHFFFAOYSA-N 449.942 5.035 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 487307574 GOOPEUQCBZKSLB-SFHVURJKSA-N 431.363 5.837 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 488374545 AEAKPEFHRHVKKD-ZDUSSCGKSA-N 446.454 6.017 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3c(CC)cccc3CC)o2)cc1 489803541 HKQYPSFEVWPEOJ-INIZCTEOSA-N 437.565 5.546 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(CCC#N)Cc1ccco1 490630904 PJEXSPULCFFZQD-OAHLLOKOSA-N 429.929 5.152 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1 494050607 RALIBQLVXVHWMZ-OAOOKAIFSA-N 431.565 5.185 30 20 IKED N#CCCCOc1cccc(NC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)c1 498778001 FSANDOGSUQFSPU-UHFFFAOYSA-N 442.302 6.116 30 20 IKED N#CC1(CCCN2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)CCOCC1 499538940 QAFPJDFYNLNJHW-UHFFFAOYSA-N 436.531 5.323 30 20 IKED O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1cccc(OCC(F)(F)F)c1 500217656 PVSBGVMVSXVOKI-UHFFFAOYSA-N 425.300 5.350 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)CCc3ncc(-c4ccccc4Cl)o3)n2)c1 501174362 NLBCFUAQHQWENX-UHFFFAOYSA-N 434.908 5.561 30 20 IKED N#C[C@H](C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1nc2ccccc2[nH]1 502708188 VJFRKZURQYNNDZ-LJQANCHMSA-N 428.517 5.076 30 20 IKED Cc1nc(CSc2ccccc2C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cs1 505333100 ZYRCMYQNKCLAHT-QGZVFWFLSA-N 448.400 6.045 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(OC)c(Br)c1 505578062 DKHLQIQJZYZNSA-HNNXBMFYSA-N 430.346 5.012 30 20 IKED CN(C[C@@H]1OCCc2ccccc21)C(=O)c1ccccc1SCc1ccc(C#N)cc1 506289576 OPUFJDVDBYVUCJ-DEOSSOPVSA-N 428.557 5.237 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 506535553 STAQCPJSCRRHTB-UHFFFAOYSA-N 429.495 5.249 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1 508135060 WKHBNRAZOPBMCF-VQTJNVASSA-N 428.454 5.262 30 20 IKED C[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)N(CCC#N)c1ccc(F)cc1 510203050 GMVOQUACHUNIFM-QGZVFWFLSA-N 430.508 5.187 30 20 IKED CCCOc1ccccc1Oc1ncccc1CNC(=O)Nc1cc(C#N)ccc1OCC 510693090 MUETVTJYHQUCHP-UHFFFAOYSA-N 446.507 5.255 30 20 IKED CN(CCCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C1CCCCC1 511308847 WGLBGACOURLUNA-UHFFFAOYSA-N 434.584 5.108 30 20 IKED O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1ccc(F)cc1C(F)(F)F 511747689 ZKJSHYRYNKBAQK-CYBMUJFWSA-N 431.254 5.479 30 20 IKED C[C@H](c1c(F)cccc1F)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 516366519 KYHOALXNQSBVGK-BEFAXECRSA-N 439.893 6.499 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 516939827 HMPQXRFWEOVSOT-UHFFFAOYSA-N 429.402 5.218 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(OC(F)(F)F)c2)cc1 518054998 WZGHBEJUYIDNOK-UHFFFAOYSA-N 428.435 6.001 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1C 520050988 ODKVQAUNAJBRMC-FQEVSTJZSA-N 435.568 5.238 30 20 IKED Cc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c2cnn(Cc3cccs3)c2n1 520827605 QBPGTFXGOUIOCP-HNNXBMFYSA-N 447.589 5.354 30 20 IKED CN1CCC(C#N)(NC(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)CC1 520991049 AVGPVQSVGRRJOG-UHFFFAOYSA-N 434.392 5.003 30 20 IKED CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1 521245318 PFMQVBWTMJCMQM-INIZCTEOSA-N 431.467 5.270 30 20 IKED C=CCn1c(SCc2ccc(OCc3ccccn3)cc2)nnc1-c1cccc(C)c1 521530759 ZOLGYVKCHOFRAB-UHFFFAOYSA-N 428.561 5.706 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CCc1ncc(-c2ccccc2Cl)o1 521727473 XFZUZJHGWGERPA-OAHLLOKOSA-N 425.941 5.818 30 20 IKED Cc1nc(-c2ccsc2)ccc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 522391978 GYRSNGGFPOOMJF-UHFFFAOYSA-N 439.540 6.016 30 20 IKED C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 523088354 CYJMENVOELQKOZ-YMTQGWHGSA-N 430.470 5.262 30 20 IKED Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 523420122 FRXFJMLNQIYVCL-UGKGYDQZSA-N 438.531 5.529 30 20 IKED CC(C)(C)OC(=O)C1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 523946782 KTWDBCQYPVRSTL-UHFFFAOYSA-N 440.927 5.198 30 20 IKED COc1cc(CN(C)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c(SC)cc1OC 525001500 HSKMNHGEVPCBMH-HNNXBMFYSA-N 445.610 5.484 30 20 IKED COc1ccccc1-c1ccc([C@H](C)NC(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1 525079040 IDXCOWXJBHPBFZ-IBGZPJMESA-N 445.588 5.524 30 20 IKED COCCN(C(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1ccc(C#N)cc1 525597019 OQSFGCHKCZICRO-UHFFFAOYSA-N 426.472 5.177 30 20 IKED C[C@@](C#N)(CCc1ccccc1)NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1 533368945 HMSXXDSUXCXWQE-DEOSSOPVSA-N 449.601 5.124 30 20 IKED CCN(CC)C(=O)Nc1ccc([C@@H](C)NC2CCC(Oc3ccccc3C#N)CC2)cc1 536868011 GGYVHQKGKFKRAG-BJRAERQBSA-N 434.584 5.473 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 537562925 VLDJHOFCUZJWAY-UHFFFAOYSA-N 444.878 5.026 30 20 IKED C=C(C)COc1cc(CN2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)ccc1OC 539819668 JFSQDIKYNSNGFI-UHFFFAOYSA-N 448.607 5.053 30 20 IKED Cc1noc(C)c1NC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 541179112 JDSBXJKUMBDMAG-LBPRGKRZSA-N 449.273 5.754 30 20 IKED Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)c1ccc(COc2ccccc2C#N)o1 541370876 PKOPHMSCSAEBPE-UHFFFAOYSA-N 440.459 5.218 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(CNc2ccncn2)c1 541798742 PHEAGGPDKLRSQH-UHFFFAOYSA-N 449.514 5.100 30 20 IKED Cc1nc2c(s1)[C@H](N(C)C(=O)N[C@@H](C)c1ccc(-c3cccc(C#N)c3)cc1)CCC2 543019013 XHODYERPTVYHRB-QMHKHESXSA-N 430.577 5.770 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ncc(-c2ccccc2)[nH]1 543883637 WDZXCLVLDVLFBI-UHFFFAOYSA-N 437.503 5.158 30 20 IKED Cc1noc(C)c1CCN[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 543980950 UYWVPIKZRYWDHH-AWEZNQCLSA-N 434.302 5.765 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 544573349 UUKHULIDMCZMDY-PBEJRMEISA-N 427.545 5.461 30 20 IKED CC(=O)N1CCc2c(NC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)cccc21 546012318 VVYPIXOEVFUYGE-UHFFFAOYSA-N 431.879 5.165 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCCC[C@H]3CCCCO3)cc2Cl)c1 546222344 HHJCZELYOZESHK-HXUWFJFHSA-N 427.932 5.261 30 20 IKED C[C@](C#N)(NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)C1CCCCC1 555905656 YMEIULLSBSKPGW-AREMUKBSSA-N 429.520 5.206 30 20 IKED CN1[C@H]2CC[C@H]1CC([C@@H](NC(=O)c1cc(C#N)ccc1Cl)c1ccc(Cl)cc1)C2 576774586 DAGOAJSBOKLWEX-IPJJNNNSSA-N 428.363 5.209 30 20 IKED N#Cc1ccc(C[C@@H](C#N)c2nc(-c3cc(Br)c4ccccc4c3)no2)cc1 578000544 PWJGWHLTSUFVPI-SFHVURJKSA-N 429.277 5.374 30 20 IKED C=C[C@](C)(CCOC)c1nc(-c2cccnc2Oc2ccc(C)cc2Br)no1 579406090 VVDBONLULBCZHR-OAQYLSRUSA-N 444.329 5.475 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2noc3cc(F)ccc23)CC1 579410707 SYGXVYAKCRYTHW-OAHLLOKOSA-N 438.528 5.630 30 20 IKED C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC([C@H]2CCCO2)CC1 583643392 HABVLGNFNIJTEE-OAQYLSRUSA-N 449.624 5.349 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC(c4ccc(F)c(F)c4)CC3)cc2)ccn1 589363425 UUHNPRBYHNTIET-UHFFFAOYSA-N 434.446 5.435 30 20 IKED CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)Nc1sc2c(c1C#N)CCCC2 603674099 MBNGNCBLYOEAHG-UHFFFAOYSA-N 438.553 5.377 30 20 IKED Cc1cc(C)n([C@H](C)CC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)n1 603757683 HKMHQEHECKQPFR-CQSZACIVSA-N 447.486 5.028 30 20 IKED CSc1cc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)ccc1NC(C)=O 603784595 BKCNRFQYLURJDT-UHFFFAOYSA-N 431.517 5.070 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 605363265 RGSKSIKEHKOKPV-HNNXBMFYSA-N 440.450 5.812 30 20 IKED Cc1csc(CCCCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1 608914871 DUZBKPCXQOWWLB-HXUWFJFHSA-N 438.984 5.905 30 20 IKED N#CCCSc1ccccc1NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 609375436 PJOMFBKSJZIKMH-UHFFFAOYSA-N 433.480 6.087 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1csc(-c2ccoc2)n1 609392404 BLDXOKWJFQNWNZ-CQSZACIVSA-N 429.592 5.669 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)c1ccccc1C(F)(F)F 610223969 WPFMFAMQAHVZCA-HNNXBMFYSA-N 425.410 5.815 30 20 IKED C=CCOc1ccc(CNc2cccc(C[S@](=O)Cc3ccccc3)c2)cc1Cl 610910817 BQHNGKMISZFFCK-GDLZYMKVSA-N 425.981 5.966 30 20 IKED Cc1ccccc1[C@]1(F)CCN(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 669759526 ILKCRAIYOWKUQE-DEYYWGMASA-N 440.403 5.485 30 20 IKED C=C(C)[C@H](NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)c(F)c1 681330554 ZBKJYMKQNHFFSN-MKBNYLNASA-N 444.366 5.791 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 682803710 NLNXPGSGGULAMD-UHFFFAOYSA-N 444.522 6.862 30 20 IKED C=C(Br)CNC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 729572146 XEVYKZKWQHGSGX-UHFFFAOYSA-N 438.244 5.083 30 20 IKED O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1csc(C(=O)O)c1 730148748 KUZVFLPYENYYGX-GORDUTHDSA-N 448.250 5.273 30 20 IKED Cc1nc(CCC(=O)OCc2ccc(C#N)cc2F)oc1-c1ccc(Br)cc1 730371204 CLQWFWGNOSIQHZ-UHFFFAOYSA-N 443.272 5.099 30 20 IKED CCc1ccccc1O[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1 730690259 QWYWRZKQTGGSSO-NTKDMRAZSA-N 445.469 5.990 30 20 IKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](C)c1cccnc1 730942638 UEELPYKAFVCHAB-PGRDOPGGSA-N 444.560 5.112 30 20 IKED COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc2c1O[C@@H](C)C2 730995852 VDHBPSVMKZNHPQ-LBPRGKRZSA-N 436.455 5.295 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2c(ccc3ccccc32)[nH]1 731064071 QFNJZHNNGHFAMU-INIZCTEOSA-N 443.528 5.368 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(CCCCCC(=O)O)C(=O)N[C@@H]1c1ccsc1 731433675 JPNQRYOQYVMHIC-HXUWFJFHSA-N 446.956 5.113 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NC[C@@H](O)c2ccc3ccccc3c2)cc1 731828228 MFVYASDXWMNKLU-XMMPIXPASA-N 426.447 5.106 30 20 IKED Cc1ccc(N2CCCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)CC2)cc1 731977294 GOKFPVIAWXMBGO-UHFFFAOYSA-N 425.532 5.206 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(OCc3cccc(C)c3)cc2C)c1 733845521 UENCZJHSLAZQDL-QHCPKHFHSA-N 443.547 5.885 30 20 IKED C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 737313299 LIPQOOTVTRAGBT-KOSHJBKYSA-N 445.950 5.024 30 20 IKED CC(C)(CNC(=O)Nc1cccc(OCC#N)c1)Sc1ccc(Br)cc1 743103107 NXOXUYNFRKXMJM-UHFFFAOYSA-N 434.359 5.044 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1c(O)ccc2c1CCCC2 743140717 OYPLQERTLHOHFP-UHFFFAOYSA-N 441.531 5.352 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1 743475336 SDXBURKVSVAMLD-NRFANRHFSA-N 438.531 5.193 30 20 IKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2ccc(CSC(F)F)o2)cc1 744807304 VPFJZJGYMGOBKQ-UHFFFAOYSA-N 438.525 5.200 30 20 IKED CC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nc(C(F)(F)F)cs1 745935265 KCACZWCUHIHHNI-MSOLQXFVSA-N 444.482 6.090 30 20 IKED COc1ccc2cc(/C=C\C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)ccc2c1 746259365 UEVHBFNZOFYIAK-WQLSENKSSA-N 438.483 5.156 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)n1 747197522 GQOYNRHXYACCPL-CQSZACIVSA-N 434.348 6.037 30 20 IKED N#Cc1ccc(CC(=O)OCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc1 750242361 MXPHHTQEDOUPGW-UHFFFAOYSA-N 434.904 5.127 30 20 IKED CN(Cc1cccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1)C(=O)OC(C)(C)C 752691739 IVCDSCPRVWUMSV-GOTSBHOMSA-N 448.567 5.357 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1C 754481257 XJHUJWGHPQLYBH-UHFFFAOYSA-N 425.529 5.571 30 20 IKED N#Cc1cc(C(F)(F)F)ccc1C(=O)OCc1nnc(-c2c(Cl)cccc2Cl)o1 758121814 JWHSBACZMAUONL-UHFFFAOYSA-N 442.180 5.291 30 20 IKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1sc2cccc(C)c2c1Cl 759235906 CJYFORGLFDOKCG-ZDUSSCGKSA-N 442.924 5.190 30 20 IKED CC(C)Oc1ccc(-c2cccc([C@H](C)N(C)C(=S)Nc3ccccc3C#N)c2)cc1 759671569 FATZNSDLQPOQML-IBGZPJMESA-N 429.589 6.402 30 20 IKED CC(C)c1nc(C#N)c(NN=Cc2cn(-c3ccc(Br)cc3)nc2C(C)C)o1 763355633 GCJCSELTWNSRRT-UHFFFAOYSA-N 441.333 5.187 30 20 IKED C[C@H](c1ccsc1)N1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 765138147 JZXXBIAXUHMOAP-NTKDMRAZSA-N 430.577 5.314 30 20 IKED Cc1nc2c(s1)[C@@H](Nc1ccc(C#N)c(N[C@@H]3CCCc4nc(C)sc43)n1)CCC2 767309935 FERULJVXGARJKO-ZWKOTPCHSA-N 436.610 5.462 30 20 IKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2ccc(Sc3ccc(Cl)cc3)cc2)n1 773659592 PAOBULZJLWQZCF-SFHVURJKSA-N 442.949 5.289 30 20 IKED C#CCOc1ccccc1NC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 775948460 RZLNJZYFXNKEDI-UHFFFAOYSA-N 442.899 5.366 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)C(F)(F)F 776971188 UHGONEOLQLLWMN-NRFANRHFSA-N 439.437 5.505 30 20 IKED C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@H]1C(=O)[C@H](C#N)c1ccc2ccccc2n1 780302077 LUPUWZISAIONBS-RLLPEYFOSA-N 437.543 5.195 30 20 IKED CC[C@H](C#N)Oc1cc(CNCc2ccc(-c3cccc(C(F)(F)F)c3)o2)ccc1OC 781629831 LLLQAMAXNOCWRC-LJQANCHMSA-N 444.453 5.945 30 20 IKED CC(C)(C#N)CC(=O)Oc1ccc(Sc2ccc(OC(=O)CC(C)(C)C#N)cc2)cc1 781840850 CECDHQXUXXVQKB-UHFFFAOYSA-N 436.533 5.528 30 20 IKED CCCc1c(NC(=O)c2ccc(C3SCCS3)cc2)cnn1-c1cccc(C#N)c1 784710911 CCOVLURJCOOIEY-UHFFFAOYSA-N 434.590 5.427 30 20 IKED C=CC[C@]1(C(=O)Nc2ccccc2SC[C@H](C)C#N)CCCN1C(=O)OC(C)(C)C 792534931 FRIWXSBNZKAJLY-UZUQRXQVSA-N 429.586 5.223 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(C)c(Br)c(Cl)c1 793127707 XNHBGGTZEPQHNS-INIZCTEOSA-N 447.760 5.497 30 20 IKED C[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1nccn1-c1ccccc1 805143570 JTWWHKMUVQZLGD-QGZVFWFLSA-N 427.533 5.033 30 20 IKED C=CC[C@H](NC(=O)C(=O)N(C)[C@H](c1ccc(Cl)cc1)C(CC)CC)c1ccncc1 805812684 BDNHKHJCTVUFIY-VXKWHMMOSA-N 427.976 5.104 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccccc3SC(F)(F)F)CC2)c(F)c1 806219091 LBOYOJHVNKXGMS-UHFFFAOYSA-N 439.434 5.385 30 20 IKED Cc1nn(C)c2sc(C(=O)/C=C/c3cn(Cc4ccccc4)nc3-c3cccnc3)cc12 806578177 BCOKIZMLIMRUBE-ZHACJKMWSA-N 439.544 5.146 30 20 IKED N#C[C@@H](C(=O)Cn1c(C2CCCCC2)nc2ccccc21)c1cc(C(F)(F)F)ccn1 813218850 UCABQZPEVSNALJ-QGZVFWFLSA-N 426.442 5.374 30 20 IKED CC(C)n1cc(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(C2CCOCC2)n1 856674310 KGYNTRIPVCZCQA-IBGZPJMESA-N 442.563 5.388 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1 915086484 KDLPDDXWJHLMQT-JOCHJYFZSA-N 443.453 5.847 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccccc2)n1)c1nc(-c2ccc(Cl)cc2)cs1 915101813 LOWLNBGQAVZHDT-GOSISDBHSA-N 435.961 6.006 30 20 IKED CC(C)[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc2c(c1)OCCO2 915351787 GHJHQLAJFBDYKG-ZEQKJWHPSA-N 441.531 5.632 30 20 IKED Cc1c(C#N)c(NC(=O)COC(=O)c2cnc(-c3ccccc3)s2)n(C2CCCC2)c1C 915551703 LSAPQGWTDPLYNW-UHFFFAOYSA-N 448.548 5.011 30 20 IKED Cc1oc(-c2cccs2)nc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 916452099 TZRWQMAGTBMXFH-UHFFFAOYSA-N 429.501 5.609 30 20 IKED Cc1ccc(Sc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3)cc2[N+](=O)[O-])cc1 916898835 HVGAPXZXZLJNPY-LJQANCHMSA-N 431.473 5.016 30 20 IKED COc1ccc(C)cc1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996715 OQVQNOXVQRWFAD-INIZCTEOSA-N 431.344 5.853 30 20 IKED C[C@H](Sc1ccccc1Cl)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042390 BHWNZYFTWNNWTD-JQWIXIFHSA-N 440.899 6.326 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1 917043334 HMMRTYHXMCYFJJ-OAHLLOKOSA-N 427.913 5.787 30 20 IKED CC(C)(C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccc(Br)cc1 917044251 RSNKJEOLCCLOTK-CQSZACIVSA-N 432.268 5.348 30 20 IKED COc1cc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)ccc1O 917563681 SBLCYZWYCWUNGO-UXBLZVDNSA-N 428.897 5.091 30 20 IKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccccc2C)[n+]2ccc(CC)cc2)C=C1 917606665 BVXPCJOUHPSGFL-UHFFFAOYSA-O 447.580 5.429 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 917712610 JFLWZCLZKVBGNF-UHFFFAOYSA-N 448.525 5.106 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCSc1ccccc1Br 920105406 FYGYZXTZQHCIOC-HNNXBMFYSA-N 441.350 5.313 30 20 IKED COc1ccc(C2(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)CCOCC2)cc1 920324695 SSEPUXLHNPMPMP-OAQYLSRUSA-N 432.545 5.052 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)CCC1 1785791959 OTQGVCDCFSDRQC-QHCPKHFHSA-N 447.535 5.040 30 20 IKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)c[nH]1 1788817013 QDOZWRHCQSBHOB-QGZVFWFLSA-N 426.520 5.012 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ccc4[nH]c(C)cc4c3)CCC2)cc1 1791300441 QIEYEWUMMSNXPN-UHFFFAOYSA-N 437.490 5.435 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(F)c2Cl)n[nH]1 1821119149 LTCFHFUAZYKICU-LJQANCHMSA-N 444.938 5.277 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3[nH]c(C)cc3c2)n[nH]1 1821584504 LEVVJIXFHCVNAZ-NFBKMPQASA-N 445.567 5.274 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](CCC)n2cccc2)CC1 1827630157 SVHJMTBZLFKEHU-DSNGMDLFSA-N 439.644 5.217 30 20 IKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](CCC)CC2)CC1)C(F)(F)F 1831562388 PDQCNRQQTDURML-JBACZVJFSA-N 442.566 5.331 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCc3ccccc32)CC1 1831979325 VCFLQZPUBAJLDZ-DMTNHVFBSA-N 434.624 5.105 30 20 IKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)C1 1844634755 HFUZDUXUQGDLMI-UHFFFAOYSA-N 443.547 5.013 30 20 IKED CC(C)n1c(SCC(=O)Nc2cccc(C#N)c2)nnc1-c1ccc(Cl)cc1Cl 9826677 VZVHTKUMQHAYTM-UHFFFAOYSA-N 446.363 5.435 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)Nc1ccccc1OC 10118242 YMWCNPNCBJSVML-UHFFFAOYSA-O 433.597 5.521 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)sc1C)=C(/S)Nc1cccc(Cl)c1 10831485 PAOWGOAFQAFCTA-UHFFFAOYSA-O 430.018 5.919 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Br)c2)nnc1-c1ccccc1 16823195 DAFJDJVIHCETHH-CQSZACIVSA-N 443.370 5.013 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nc2sc(C)c(C)c2c1=O 17652951 FHSUAIJEBDAASI-LBPRGKRZSA-N 430.580 5.226 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc3ccccc3c2)nnc1-c1ccc(OC)cc1 22095197 PJYIQVAVNILPIY-KRWDZBQOSA-N 444.560 5.412 30 20 IKED C[C@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccc(C(F)(F)F)cc1 30114479 PXYBHQQRGJPWGK-NSHDSACASA-N 445.338 5.540 30 20 IKED COc1cccc([C@H](CNc2ccc(C#N)cc2[N+](=O)[O-])c2c[nH]c3ccccc23)c1OC 32533911 FRXBWFBGZZWHIT-FQEVSTJZSA-N 442.475 5.209 30 20 IKED N#Cc1cccc(COc2cccc(CNC[C@@H]3CCCN(Cc4cccs4)C3)c2)c1 64615846 VDMIUYALWXEGAU-DEOSSOPVSA-N 431.605 5.201 30 20 IKED C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc2c(c1)CCC(=O)N2 71930200 OBUWGFDXKANFOV-MRXNPFEDSA-N 427.529 5.085 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1cccc(CSc2ccccn2)c1)c1ccccc1 111198059 SUPYNFQRXJMYIW-UHFFFAOYSA-N 444.560 5.039 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1 409544108 PSYUVYYMLMAMLN-UPVQGACJSA-N 444.506 5.360 30 20 IKED CN(Cc1cccc(C(F)(F)F)c1)C1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1 409728295 OTAQVRYHYUDQCH-UHFFFAOYSA-N 442.407 5.092 30 20 IKED CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Nc2ccc(C#N)cc2Cl)cc1 430354017 MXWIGYPBCBSTRG-UHFFFAOYSA-N 442.949 5.019 30 20 IKED N#CCCC[C@H](NC(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccccc1 431912983 RIDXVBLZSNKRGH-QUCCMNQESA-N 430.474 5.018 30 20 IKED Cc1nc([C@@](C)(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)no1 432679600 IVBIBKRNLQEGDL-XXBNENTESA-N 435.915 5.134 30 20 IKED CCc1nc(-c2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)cc2)n[nH]1 432938298 NWOXSZANYUDHCF-UHFFFAOYSA-N 437.503 5.046 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1)c1ccccc1 433130340 HLQDVHRUGNPARQ-OAQYLSRUSA-N 447.926 5.544 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)N4CCC[C@H]4[C@@H](C#N)c4ccccc4)cc3)o2)c1 436347858 UHRDRJCJUCDZCW-DQEYMECFSA-N 448.526 5.624 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(CSC2CCOCC2)c1 438485086 SSTSTKDVGBRDQA-RPWUZVMVSA-N 435.593 5.402 30 20 IKED N#Cc1cc(N[C@H](C(N)=O)c2ccc(F)cc2)ccc1Oc1ccc(C(F)(F)F)cc1 439644553 JMGYMGIQANMQOO-FQEVSTJZSA-N 429.373 5.147 30 20 IKED CCc1cc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1C 440555371 LHIPBODFLDCZMM-QFIPXVFZSA-N 431.923 5.444 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Br)cn3C(C)C)n2)cc1 442867512 YMGNBOWOJOGNME-INIZCTEOSA-N 444.354 5.454 30 20 IKED Cc1cccc([C@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)c1 461726076 HVQPIXDOFGRTSE-DNQXCXABSA-N 427.552 5.036 30 20 IKED Cc1nc(-c2cccc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c2)cs1 463104160 HCNKUCHEQPIQIQ-UHFFFAOYSA-N 426.501 5.738 30 20 IKED COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)N[C@H](C)c1ccc(C#N)cc1 465667375 WUHPKKZKKOAPDT-NHCUHLMSSA-N 427.548 5.471 30 20 IKED COc1ccccc1[C@]1(C)C[C@H]1NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 466045169 DBWJCELLSCIHIY-VPUSJEBWSA-N 441.531 5.192 30 20 IKED Cc1cccc(Oc2cc(CNC(=O)N(Cc3ccc(C#N)cc3)C(C)C)ccn2)c1C 466507985 MMUHEXXCKSLUST-UHFFFAOYSA-N 428.536 5.483 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCc1ncc(-c2cccc(Br)c2)o1 467265879 ZOYVDLPCIHGAIX-CQSZACIVSA-N 428.355 6.110 30 20 IKED N#CC1(C(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CCCCC1 469751931 LHORITJVKFFVQS-INIZCTEOSA-N 434.380 5.098 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(Sc2ccccc2Cl)nn1 470528968 NQWAAVKKBIBMRQ-PXNSSMCTSA-N 434.952 5.193 30 20 IKED CCC(C)(C)N(CCC#N)C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 471159587 AEWXQBMNMSNRLF-UHFFFAOYSA-N 442.357 5.246 30 20 IKED Cc1c(I)cccc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 471272303 HIYQZZDKQKQXKU-LBPRGKRZSA-N 436.318 5.104 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCC(NC(=O)C3CC3)CC2)cc1Cl 474902477 VESFXHLYVTXOIG-OBFZPWGMSA-N 435.955 5.019 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](CCC)C(=O)N1CCc2sccc2C1 475583266 WJPXVISWKPYODZ-NRFANRHFSA-N 439.625 5.475 30 20 IKED Cc1cccc(CC2(O)CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CC2)c1 477671899 VCCQRMSLFMCUQD-UHFFFAOYSA-N 444.506 5.008 30 20 IKED N#CCCCN1C(=O)CCc2cc(NCc3cc(Br)c(Cl)s3)ccc21 480285751 OAZXQSZVUDLIOR-UHFFFAOYSA-N 438.778 5.359 30 20 IKED C=CCn1c(SCc2nc3ccccc3n2C(F)F)nnc1-c1cccc(OC)c1 481397367 HFDBNUHOKJWVGL-UHFFFAOYSA-N 427.480 5.177 30 20 IKED CC[C@@H](C)n1ncc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1C 482772837 MZWDDFARMABNJB-MRXNPFEDSA-N 447.564 5.017 30 20 IKED C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 483054715 RMGYVZCBIOTQPG-GAJHUEQPSA-N 433.939 5.796 30 20 IKED C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)c1cnc(C(F)(F)F)c(C#N)c1 483898236 RSWYSOTUWCNVDK-KSFYIVLOSA-N 435.449 5.191 30 20 IKED CCN([C@@H](c1ccc(C(C)C)cc1)c1cccnc1)S(=O)(=O)c1ccc(C#N)c(F)c1 489527556 XCBGRLDPIRCHGV-DEOSSOPVSA-N 437.540 5.016 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc4nc(C(F)F)sc4c3)CC2)c(F)c1 490573260 ZYGCJBHDIQMDNU-UHFFFAOYSA-N 446.454 5.320 30 20 IKED CC(C)c1nc(C(=O)N(Cc2ccco2)c2ccccc2C#N)nn1-c1ccccc1Cl 498322375 IQMIWJRPVSIUTJ-UHFFFAOYSA-N 445.910 5.356 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc([C@H]3CCCOC3)cc2)cc1 503027932 BQWYCHMLGIVWCA-NRFANRHFSA-N 428.488 5.505 30 20 IKED C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 503907473 FPUGJAKEQDVFRC-INIZCTEOSA-N 433.964 5.556 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(c2noc(C3CC3)n2)CC1 508849563 QWFJLAWUAQKYOU-UHFFFAOYSA-N 445.354 5.082 30 20 IKED CCN(C(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1)[C@H](C)c1ccc(C#N)cc1 509565360 WXHCWMBXALNYPO-LJQANCHMSA-N 444.531 5.378 30 20 IKED CN(C[C@H]1COc2ccccc2O1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510055071 LAANQMRKDTXRMV-PZJWPPBQSA-N 447.922 5.299 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(Oc3ccncc3)c(Cl)c2)cc1 510089890 OPUIFEIEFFGNAE-UHFFFAOYSA-N 445.828 5.604 30 20 IKED COc1cccc([C@H]2CCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 511477244 OTANEHNYYOAATI-XMMPIXPASA-N 440.503 5.188 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCNC(=O)C3CCCCC3)cc2Cl)cc1 511610711 OQCNUASDUWCWEI-UHFFFAOYSA-N 425.916 5.029 30 20 IKED Cc1cccc([C@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 515796511 DBGHLGSEVTTZED-AREMUKBSSA-N 425.532 6.009 30 20 IKED N#Cc1ccc(C2=CCN(c3nnc(Cc4ccsc4)n3Cc3ccccc3)CC2)cc1 516359867 YIMMKLDNPBJMOF-UHFFFAOYSA-N 437.572 5.144 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCC3)cc2)cc1 518373774 YWPPMTXPLLXPII-UHFFFAOYSA-N 425.488 5.033 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(OCc4cccc(F)c4)c3)cc2)nc1 520323701 SDHJMHGEYLBJJV-UHFFFAOYSA-N 439.446 5.716 30 20 IKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)N1CCCc2ccccc21 520833862 MXJFNIPOZOYHFB-HNNXBMFYSA-N 433.499 5.491 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1)Cc1ccccc1F 521810961 MHFYDYQGGRQODF-LJQANCHMSA-N 433.552 6.454 30 20 IKED CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc(C)cc1 523967132 YCVHYBFENOZWCO-QFIPXVFZSA-N 447.922 5.518 30 20 IKED Cc1ccccc1Nc1nc2sc(C(=O)Nc3ncccc3OCCCC#N)cc2s1 524023505 YKHZZGAAMCLBIX-UHFFFAOYSA-N 449.561 5.740 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3cccc(NC(=O)c4ccccc4)c3)c2)c1 533636637 DVRQCDIUEHHWAK-UHFFFAOYSA-N 447.538 5.679 30 20 IKED CCn1cnnc1-c1ccccc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 534163682 PEPHBJNCODZBHA-UHFFFAOYSA-N 443.894 5.535 30 20 IKED N#C[C@@H](NC(=O)c1ccccc1SCc1cccs1)c1ccc(OC(F)(F)F)cc1 534333797 IBBYTYBNPVHPGM-GOSISDBHSA-N 448.491 5.934 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(-c3ncco3)ccc2C)cc1C 535468254 IXFBAAIVMXCMHK-UHFFFAOYSA-N 425.492 5.296 30 20 IKED Cc1cc(NCc2nnc(-c3cccc(C#N)c3)o2)nn1-c1ccc(Cl)cc1Cl 539639847 HASMTZALVCXKGX-UHFFFAOYSA-N 425.279 5.021 30 20 IKED COc1cc(CN2CCC(CC#N)CC2)ccc1OCc1ccc(Br)cc1 543781586 UFYULTUYSCYGEB-UHFFFAOYSA-N 429.358 5.162 30 20 IKED CSCc1cccc(-c2noc(C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n2)c1 544728557 JICUPTWIXGWDOE-UHFFFAOYSA-N 447.520 5.103 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)CC1 548830693 ODRWLNKRHOZXIT-HSZRJFAPSA-N 430.939 5.091 30 20 IKED CC1=C(c2ccco2)CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 549176194 FKKUZXCTOWZULD-UHFFFAOYSA-N 427.504 5.636 30 20 IKED C[C@H](C#N)CN(C)c1nnc(COc2ccccc2-c2ccccc2)n1Cc1cccs1 549948677 WGYODNLTAKIBLS-LJQANCHMSA-N 443.576 5.230 30 20 IKED COc1cccc(C2(NC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2)c1 558290551 MAXUJQGGOMEGRS-UHFFFAOYSA-N 427.504 5.151 30 20 IKED Cc1ccccc1CNc1ccccc1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 561244984 VXPWOUQZEDNXNF-NRFANRHFSA-N 428.511 5.083 30 20 IKED CC1(C(=O)N[C@H]2CCSc3ccccc32)CCN(c2ccc(Cl)cc2C#N)CC1 561328689 XAJRGECOHBHBHM-IBGZPJMESA-N 425.985 5.171 30 20 IKED CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1 561415959 ZJWPCBHIGFOPNK-AREMUKBSSA-N 439.515 5.252 30 20 IKED Cc1cccnc1C(C)(C)CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 568817365 LDKOOLSDUVKCJR-UHFFFAOYSA-N 428.536 5.134 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(c2cccc(F)c2F)CC1 570746022 XFCDFBZRURUNEB-MRXNPFEDSA-N 429.536 5.177 30 20 IKED N#Cc1ccc(CN[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c(C(F)(F)F)c1 589517687 GEICSRQKJJPODM-FQEVSTJZSA-N 442.403 5.853 30 20 IKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)oc2c1C(=O)CCC2 590237777 YORFKOHDVBQYAA-UHFFFAOYSA-N 434.879 5.463 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC[C@H](c2ccccc2F)C1 593513533 VSLLLUYUAXNVPO-YNEHKIRRSA-N 426.376 5.234 30 20 IKED Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603626633 GODVPFIFKRCXLV-UHFFFAOYSA-N 440.459 5.182 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc(-n3cccn3)cc2)cc1Cl 603759192 XJNUYBGWDYXRLW-QHCPKHFHSA-N 426.907 5.362 30 20 IKED C[C@H](Nc1cccc(COCCOc2ccccc2)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 604046191 QXPRIAMFJCWBKX-SFHVURJKSA-N 449.938 5.246 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc2ccccc2n1 604200231 FFEVNPBZYQZPDB-UHFFFAOYSA-N 428.305 5.034 30 20 IKED O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)N1CCC(C(F)(F)F)(C(F)(F)F)C1 605053470 MEGIFPLBPBIICJ-ZDUSSCGKSA-N 446.338 5.192 30 20 IKED CC(C)(CCc1ccccc1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 608995257 GHDCDQPFNQJTMR-UHFFFAOYSA-N 427.548 5.865 30 20 IKED COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 609046315 BMINDODSVNITCG-DEOSSOPVSA-N 427.504 6.037 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3-n3cccn3)cc2Cl)c1 609062144 AEOZSXKNUFRBIR-UHFFFAOYSA-N 428.879 5.229 30 20 IKED Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c2c(C(C)C)noc2n1 609064034 QEQDBSGKBHUCTL-UHFFFAOYSA-N 426.476 5.358 30 20 IKED COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)c1cc2ccccc2n1CC#N 609167488 YDHUQWRDQAFWQQ-UHFFFAOYSA-N 429.451 5.666 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3ccccc3SCc3cccs3)CC2)c1 609184919 FORGZORXTJAWOC-UHFFFAOYSA-N 434.586 5.596 30 20 IKED Cn1c([C@H]2CCCN2C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)nc2ccccc21 609298695 KVLSRFDGISUSBZ-HSZRJFAPSA-N 440.478 5.354 30 20 IKED Cc1ccc(-c2ncc(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)s2)c(C)c1 609588741 LXCVDEXNPSRFGB-KRWDZBQOSA-N 426.339 5.184 30 20 IKED Cc1ccc(Nc2cccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)c2)nn1 609876096 SSBZQEUWXXRCLO-UHFFFAOYSA-N 435.487 5.232 30 20 IKED CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c(C)c1 609987402 LVFQQYVBUUHTNU-GOSISDBHSA-N 426.520 5.391 30 20 IKED N#C[C@H](NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccc(Cl)c(Cl)c1 609989692 WNJMDVIOFWAPGF-KRWDZBQOSA-N 439.224 5.193 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)c3cc4ccccc4n3CC#N)s2)cc1 610050873 NXMGHPUZHUUAJF-GOSISDBHSA-N 428.561 5.738 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)cc1 610075417 LZMCLABHMGRIHZ-QHCPKHFHSA-N 445.494 5.120 30 20 IKED CN1CCC[C@@H](CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@H]1c1cccs1 610180860 STMQKPWTEWPBNK-OFVILXPXSA-N 445.588 5.012 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 610224345 ZZWLDXSRVFRZEO-MSOLQXFVSA-N 427.253 5.560 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 610324220 VGDKRLZRFQULPP-KRWDZBQOSA-N 437.565 5.786 30 20 IKED C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1)c1cccc(C#N)c1 610361893 IZRRFLNYWOJTSJ-GOSISDBHSA-N 447.498 5.102 30 20 IKED COC(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1F 610871107 BDPAPCAUNRMWMX-CQSZACIVSA-N 449.290 5.533 30 20 IKED C[C@H](Oc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cn1)c1ccccc1 613407253 NFMPDEXUMCDAIB-KSSFIOAISA-N 433.920 5.975 30 20 IKED COc1ccccc1OCc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)o1 613407400 RRRVWSSISJUXBL-OAHLLOKOSA-N 438.892 5.620 30 20 IKED CN1[C@H]2CC[C@H]1CC([C@H](NC(=O)N[C@H]1CCc3cc(C#N)ccc31)c1ccc(Cl)cc1)C2 619803450 JZPWQQKGMQITAM-OPBMBUAESA-N 448.998 5.112 30 20 IKED C[C@H](Oc1ccc2ccccc2c1)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccccc1 619817480 JIDJWFDFRQNONV-SIBVEZHUSA-N 441.510 5.062 30 20 IKED CC(C)Cn1ncc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C(F)F 622283947 IJQXZTTWSMVHSE-UHFFFAOYSA-N 429.311 5.767 30 20 IKED FC(F)(F)c1nc(N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)ccc1Br 672227280 DYDYYHFSDMXWLK-WDSKDSINSA-N 431.096 5.040 30 20 IKED Fc1cc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OCC(F)(F)F 680471429 CQCDOJKBRPBMBW-GHMZBOCLSA-N 427.282 5.330 30 20 IKED FC(F)(F)c1ccc(-c2n[nH]cc2CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 683827140 MRACTWOETYJYFH-KBPBESRZSA-N 445.329 5.658 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CNC2(c3ccc(F)cc3)CCCC2)c1=S 727166306 GHLSVXRJBBLSSK-UHFFFAOYSA-N 438.572 5.431 30 20 IKED COc1ccc(-c2nc(/C=C\C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)cs2)cc1 727266747 DZDMJJBXCPXBCH-TWGQIWQCSA-N 439.449 5.148 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2ccc([N+](=O)[O-])cc2Cl)cs1 727650243 SWLGJHICQCNGSM-UHFFFAOYSA-N 443.916 5.452 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(C4SCCS4)c3)CC2)cc1 729033894 VVEOENDBJWJVMW-UHFFFAOYSA-N 425.579 5.112 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cccc(OCc2ccc(Cl)cc2)c1 729068738 BLTQUEZJQJUHHF-NRFANRHFSA-N 448.906 5.279 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(OCc3ccccc3)nc2)cc1 729187745 IAGWASXFBMZGID-WZONZLPQSA-N 427.504 5.135 30 20 IKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)c1nc(-c2ccc(Cl)cc2)cs1 731288195 OONOKPKQSFSZFM-AZUAARDMSA-N 449.963 5.192 30 20 IKED COc1cc(C)c(C(C)=NNc2ncnc3scc(-c4ccc(F)cc4)c23)cc1OC 731314895 XMVDIZFHACNMHK-UHFFFAOYSA-N 436.512 5.659 30 20 IKED CCCOc1ccc(Cl)cc1NC(=O)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1 733625209 VPKCNSPWSJWYSL-QGZVFWFLSA-N 431.920 5.140 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)OC[C@H](C#N)Cc3ccc(F)cc3)ccc21 734711031 SVZWOPUZMIZPJU-HNNXBMFYSA-N 433.405 5.314 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)OCc3cc(Cl)ccc3OCC#N)s2)cc1 735340271 OVNZDEJYPOISED-UHFFFAOYSA-N 428.897 5.040 30 20 IKED CC[C@@H](Cc1cccc(Br)c1)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 735400870 YRYPADTXQRTYJQ-BBRMVZONSA-N 431.330 5.643 30 20 IKED C=C(Cl)CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1 735970244 YKWYSCJQIIEZAC-LJQANCHMSA-N 427.957 5.016 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1 740434189 AATKAWXIEXZKRR-XMMPIXPASA-N 428.492 5.395 30 20 IKED C#CCOc1ccc(F)cc1NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C 741641438 UAMZPIQIWQRROD-UHFFFAOYSA-N 434.496 5.144 30 20 IKED C[C@H](Nc1ccc(OCc2ccccc2F)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 743472206 BCJSHWRLQVJEAY-SFHVURJKSA-N 435.474 5.291 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1nc(Cc2ccccc2)no1 743475576 VUNLUGXQOOYJTK-KRWDZBQOSA-N 428.467 5.423 30 20 IKED C=CCn1c(Cc2ccccc2)nn(CN2CCC(c3cccc(OC)c3)CC2)c1=S 748294418 IYYDWCMFGIFQFE-UHFFFAOYSA-N 434.609 5.037 30 20 IKED CC(C)(C)O[C@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1 754533557 SHXWWXOHAJNNOK-VFNWGFHPSA-N 426.488 5.821 30 20 IKED COC(=O)[C@H](N[C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1)c1ccc(C#N)cc1 754955159 XTGRGRYPVAZETJ-ZUOKHONESA-N 425.941 5.209 30 20 IKED Cc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(Br)n1 755526797 QJKVFMORUQQHQT-SFHVURJKSA-N 440.728 5.714 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2nc(C(F)(F)F)cs2)cs1 755906221 XFANBONHIKLLRX-UHFFFAOYSA-N 439.488 5.366 30 20 IKED C#CC[C@H](NC(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccccc1 757631743 ZYXBCCNOXBTFJK-KOSHJBKYSA-N 429.495 5.203 30 20 IKED CC(=NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(CNC(=O)OC(C)(C)C)nc1C 760251372 WIGOYSAHMBDRTP-UHFFFAOYSA-N 447.461 5.141 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3Cc4ccc(Br)cc4C3)cn2)cc1 765132238 RSUPFUYPNJFBSL-UHFFFAOYSA-N 435.281 5.056 30 20 IKED Cc1nc(Cc2ccccc2)sc1[C@@H](C)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 777114257 HYUHUKKFUDLFPU-QGZVFWFLSA-N 432.593 5.048 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)ccc1OC 777243817 VDIYETNQUUWDDY-UEQSERJNSA-N 447.579 5.244 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)nn1-c1ccc(Cl)c(Cl)c1 777303209 VFMVYAQFMJRKFT-CYBMUJFWSA-N 447.709 5.102 30 20 IKED CC(=O)N(c1nc(COC(=O)C2(c3ccc(C#N)cc3)CC2)cs1)c1ccc(C)cc1C 781400684 RFOMMLOPMMEGBI-UHFFFAOYSA-N 445.544 5.091 30 20 IKED COc1cccc(C(=O)c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cc2)c1 781447920 MWWKQNZRGBKUHO-XMMPIXPASA-N 448.478 5.041 30 20 IKED C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(-c2ccco2)nn(CN2CCC(CC#N)CC2)c1=S 781572531 RLIHHSUHLVFAPS-LEAZDLGRSA-N 425.602 5.254 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)N2CCC(CC#N)CC2)c(C(F)(F)F)c1 781859505 RSZIESQCMNQCOP-UHFFFAOYSA-N 426.439 5.210 30 20 IKED C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 783071652 KRKQCFMXIHKRNW-UGSOOPFHSA-N 441.434 5.344 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 784322773 GRGOSKBSLKHMBP-UYAOXDASSA-N 431.458 5.085 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Br)c3cc(C)oc23)cc1 785880952 RUBOJRQZITWSIV-KRWDZBQOSA-N 425.282 5.027 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1cn(C(C)(C)C)nn1)C(=O)c1ccccc1 790216079 VGZKKLMEDMGYLO-CJLVFECKSA-N 430.552 5.063 30 20 IKED CCOc1c(Cl)cccc1CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 791771045 ILWVMUXLASIZOV-LJQANCHMSA-N 448.906 5.421 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1sc(SC(F)F)nc1C 793186939 PIFXAXMGJLANLE-UHFFFAOYSA-N 445.516 5.920 30 20 IKED CC(C)(C)OC(=O)NC1[C@H]2CCC[C@H]1CC(C(=O)[C@@H](C#N)c1nccc3ccccc13)C2 802814236 WBDUZOZFUQKHKI-RJKMLNMKSA-N 433.552 5.131 30 20 IKED C=CC[C@H](NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccncc1 806818745 FYKPPYBRZAZTNM-SFTDATJTSA-N 433.474 5.185 30 20 IKED C#C[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1)c1ccc(F)cc1 813041591 MRJRWJPZUJOTGW-GAJHUEQPSA-N 432.520 5.108 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(CC[C@@H](C)F)C2=O)c1 814705259 XNAAHOAXIUZHOW-YLJYHZDGSA-N 427.545 5.012 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 915353947 RMARWAUDSCDRDO-DEOSSOPVSA-N 430.939 5.350 30 20 IKED COc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3ccc(Cl)cc3)o2)cc1OC 916326413 SFSLWHVDEITCGB-UHFFFAOYSA-N 440.912 5.047 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)s2)o1 916886366 GGGJZZVDWMNTNP-CQSZACIVSA-N 447.488 5.296 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)s2)cc1 916915704 HQKPBYCCVHQYPE-HXUWFJFHSA-N 441.512 5.242 30 20 IKED N#C[C@H](C(=O)CCCOc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1Cl 916931486 LWOHRIKOAWOJLU-GOSISDBHSA-N 441.314 5.653 30 20 IKED COc1ccc2cc(/C=C\C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2c1 916945482 WCKNSKMMZBJEFA-UXVZESDLSA-N 439.298 5.516 30 20 IKED COc1cccc(-c2nc(/C=C\C(=O)c3ccc(OCc4nccn4C)cc3)cs2)c1 917518030 QCPPFTXOAURXJM-FLIBITNWSA-N 431.517 5.027 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)cc1 920048619 ZRMWZPNELKOSIW-CLOONOSVSA-N 428.511 5.129 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806285 JMJUPYKFMGFDKZ-CQSZACIVSA-N 434.427 5.142 30 20 IKED CCOc1ccc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)cc1OCC 920984309 COJPIUZZJNFNLT-UHFFFAOYSA-N 437.352 5.220 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CCc3c(C)noc3C)CCC2)cc1 1786102328 GQOZYABRTSXROB-UHFFFAOYSA-N 435.568 5.127 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C3CCC(F)(F)CC3)cc2)CCC1 1786244985 PQJYZQPHRMTTAB-NRFANRHFSA-N 430.539 5.714 30 20 IKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1786395881 MJUNECWHEZPBLI-VGSWGCGISA-N 435.593 5.016 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3nccc4occc34)cc2)CCC1 1788339426 RKLNVLCBNAQSRX-UHFFFAOYSA-N 429.520 5.344 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c[nH]nc4c3)cc2)CCC1 1788449933 GASLGTAVTIWKBQ-QFIPXVFZSA-N 428.536 5.079 30 20 IKED Cc1ccc(S/C=C/C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CCC4)CCC3)cc2)cc1 1789490500 ZENNGEOPGJMQIC-SFQUDFHCSA-N 445.588 5.429 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1)C(F)(F)F 1791304877 RLSPQQKYIMGTCN-UHFFFAOYSA-N 447.844 5.078 30 20 IKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CC[C@H](C)CC4)cc3)CCC2)c1 1791969996 FTMIOJPCHSXYSC-KESTWPANSA-N 445.563 5.141 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)[nH]n1 1819307341 SAARXDODRWBCLU-XMSQKQJNSA-N 449.530 5.104 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)[nH]n1 1821924662 GLQOVBXZIZLRCS-KUHUBIRLSA-N 439.947 5.063 30 20 IKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1822399778 OEHMNBJJDNEYGV-SFHVURJKSA-N 438.915 5.205 30 20 IKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(Cl)c2)CC1 1832609586 MRJZVCJOZYZEFF-HSZRJFAPSA-N 429.004 5.075 30 20 IKED Cc1csc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832629339 NMKRQYNDQCOCJH-AUSIDOKSSA-N 449.620 5.231 30 20 IKED C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nc2cc(Cl)ccc2c1=O 9085449 CDBQRDHAUZXVFG-UHFFFAOYSA-N 448.375 5.237 30 20 IKED CCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2cccc3ccccc23)cc1 11125638 PITXRWIRHVTGPT-UHFFFAOYSA-O 445.995 6.394 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccccc2C)cc1 11167798 DDLPIUZYXJQNAS-UHFFFAOYSA-O 445.652 6.854 30 20 IKED Cc1cccc(-n2c(S[C@@H](C)C(=O)Nc3ccccc3C#N)nnc2-c2ccccc2)c1 12350959 BKYVJBZZUOPUGZ-SFHVURJKSA-N 439.544 5.234 30 20 IKED N#Cc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1Cl 14686179 CNUQPJCSCURUNU-NRFANRHFSA-N 438.314 5.365 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)nnc1-c1ccncc1 15278132 YRPILEYAEVXEFA-QFIPXVFZSA-N 441.560 5.307 30 20 IKED Cc1oc(-c2ccccc2)nc1C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 16871790 UERGXBQHCYJWDJ-HNNXBMFYSA-N 449.532 5.036 30 20 IKED C=CCn1c(SCc2ccc(OC(F)F)c(OC)c2)nnc1-c1ccc(OC)cc1 23014736 BYDOKGVNNZSKBM-UHFFFAOYSA-N 433.480 5.042 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)Cc3csc(Cc4ccccc4)n3)c2)c1 31776455 SHKMWAPEDGWUFG-UHFFFAOYSA-N 439.540 5.366 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 46879841 RPCMAXFXNKAFIQ-HXUWFJFHSA-N 449.510 6.127 30 20 IKED CC(=O)CCc1ccc(OCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 62883005 IOPCDRDELRLCRJ-UHFFFAOYSA-N 428.488 5.198 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)s2)o1 64715344 KTQMBFAEPNWJMN-GFCCVEGCSA-N 441.484 5.912 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 106190524 JZLGNTHNRKRAII-INIZCTEOSA-N 435.528 5.406 30 20 IKED Cc1c(C#N)c(NC(=O)CCSCc2ccc(Cl)cc2)n(Cc2ccco2)c1C 115429456 ACJYSTXWOMZVCL-UHFFFAOYSA-N 427.957 5.533 30 20 IKED COc1ccc(CN[C@H](c2ccc(Br)cc2)C2CCC2)cc1OCCCC#N 237300523 HXSAAIPLLIMMRK-QHCPKHFHSA-N 443.385 5.771 30 20 IKED Cc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1C 303293120 MXWVCSRAGODXQR-GOSISDBHSA-N 436.606 5.614 30 20 IKED C=CCn1c(SCCCCCn2cc(C)cn2)nnc1-c1ccc(Br)cc1 303444066 IFIYWJZHTGXSMU-UHFFFAOYSA-N 446.418 5.361 30 20 IKED COCCOc1cc(C)ccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 303644197 IUHJHZCNNQUINS-UHFFFAOYSA-N 436.895 5.590 30 20 IKED N#Cc1ccccc1CSCCNC(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 425989681 LRUVBNDJSZQAPP-UHFFFAOYSA-N 442.588 5.228 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CSc2ccc(Br)cc21 426852466 AIPASHYTNXANSO-GOSISDBHSA-N 430.371 5.088 30 20 IKED N#CCCn1ncc(C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)c1-c1ccccc1 428292115 XJDGCLPSBXTPDR-UHFFFAOYSA-N 438.453 5.287 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H](OCC4CC4)C3)cc2Cl)c1 429427640 PMBVVIBOIGZADP-NRFANRHFSA-N 439.943 5.214 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cc(Br)c(Cl)cc2OC)cc1 430073209 WDZDBBKQMZLPQG-UHFFFAOYSA-N 437.721 5.070 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H](c3ccc(F)cc3)C2)cc1 432033416 SQLWCONIVPOJDG-IBGZPJMESA-N 431.467 5.520 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC3CC(c4cccc(Br)c4)C3)ccc21 432413765 IBOQFNUEPZOHLU-UHFFFAOYSA-N 438.369 5.390 30 20 IKED N#Cc1ccsc1N1CC[C@H](Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)C1=O 433698067 STEIPEOJYXDRSG-INIZCTEOSA-N 444.438 5.043 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)N4CCC[C@@H]4[C@H](C#N)c4ccccc4)cc3)o2)c1 436347859 UHRDRJCJUCDZCW-JWQCQUIFSA-N 448.526 5.624 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(Cl)ccc1N1CCSCC1 438185560 CORLLLUCJHTLJY-CTNGQTDRSA-N 441.000 5.197 30 20 IKED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccccc1Sc1ncnc2sc(C)c(C)c12 438461119 DMWHQUSOCXUSTL-OXQOHEQNSA-N 439.606 5.170 30 20 IKED Cc1ccc(Cl)c(N(Cc2ncc[nH]2)C(=O)c2ccc(COc3ccccc3C#N)o2)c1 440881294 BEAFCWBHXFDKRE-UHFFFAOYSA-N 446.894 5.262 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccc2c(c1)C(=O)N(C)CC2)c1ccc(C(F)(F)F)cc1 442203518 CVBZZTIRIQXLJX-FQEVSTJZSA-N 431.458 5.163 30 20 IKED CCCc1c(NC(=O)CC(C)(C)CC(=O)c2ccccc2)cnn1-c1cccc(C#N)c1 442774132 ZCDDGBISCWYSPP-UHFFFAOYSA-N 428.536 5.324 30 20 IKED COc1cccc(C(=O)c2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)c1 444004401 RHMHJJWDMCHONT-QGZVFWFLSA-N 430.529 5.573 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F)c1ccccc1 445002848 ZWNDJAFJZUJMKR-IBGZPJMESA-N 431.458 5.357 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)c1C#N 445566165 MUJCNVWBSAIGFN-UHFFFAOYSA-N 427.533 5.032 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)Cc2csc(-c3ccoc3)n2)c1 460338518 KEAKEYNZVWUCCB-UHFFFAOYSA-N 433.920 5.704 30 20 IKED Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 464920199 UXNNBZLYUFJVOM-UHFFFAOYSA-N 425.488 5.112 30 20 IKED Cc1ccc(-n2[nH]c(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cc2=O)cc1 468434645 HYCDAEAPZIZJAC-NRFANRHFSA-N 442.906 5.035 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](C(F)(F)F)C1(C)C 470350994 FUDSNIXNHZYZBG-FQEVSTJZSA-N 431.458 5.640 30 20 IKED O=C(NCC1(C(F)F)CC1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 471268934 UNRDLTRSBLVFDX-BSVBHRQSSA-N 433.383 5.270 30 20 IKED N#Cc1c(NC(=O)CCN2CCCC[C@@H]2c2nc3ccccc3o2)sc2c1CCCC2 474216756 WLHFJCFQUVAAME-LJQANCHMSA-N 434.565 5.196 30 20 IKED N#CC[C@@H](CC(=O)N1CCC[C@@H]1c1ccc(I)cc1)c1ccccc1 476198407 SPNMZLBWQBMTHV-AZUAARDMSA-N 444.316 5.042 30 20 IKED C[C@@H](C#N)CSc1ccccc1NCC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 476394060 BJEJEEAUCZCNJN-LSDHHAIUSA-N 437.487 5.126 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CC(c3nc4ccccc4s3)C2)cc1 477705341 UWBFWWPDZQNGIM-UHFFFAOYSA-N 427.554 5.559 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)NCCc2nc(-c3ccccn3)cs2)cc1 480870476 LEHIPAYFRBZVJT-UHFFFAOYSA-N 442.569 5.200 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N(Cc2ccncc2)Cc2cccnc2)cc1 480872207 UAXVMVJNXQRFGW-UHFFFAOYSA-N 436.540 5.342 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1CCC[C@H]1c1cccnc1 481525339 CJJSHLIRWPOKAB-NRFANRHFSA-N 446.576 5.397 30 20 IKED CC(C)C[C@](C)(NCc1nnc(-c2cccc(C#N)c2)o1)c1cccc(Br)c1 483062887 WDAUSYJFOAWDEE-QFIPXVFZSA-N 439.357 5.422 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@H](C#N)c1nccc2ccccc12 483195880 MYHHFPHKIMZCKZ-LJQANCHMSA-N 429.476 5.486 30 20 IKED COC(=O)C[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(SC)cc1 484320085 UGSBTHOMWPDPKK-QHCPKHFHSA-N 446.528 5.107 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2c(F)cccc2SCC)nnc1-c1ccco1 484941629 UGVIKOYZJIGHHS-UHFFFAOYSA-N 432.546 5.096 30 20 IKED COc1ccc([C@@H](NC(=O)c2cccc(CC#N)c2)c2ccccc2)cc1Br 485416261 XROUIXWUMIOFCN-QFIPXVFZSA-N 435.321 5.043 30 20 IKED Cc1cc(-c2cc(C(=O)NCc3cccc(C#N)c3)c3cnn(C(C)C)c3n2)c(C)s1 487374649 SETWOUIAYQLTJL-UHFFFAOYSA-N 429.549 5.159 30 20 IKED CC(C)c1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)o2)cc1 488801832 QAJUASVLNDIUGD-ZDUSSCGKSA-N 426.929 5.504 30 20 IKED C=CCn1c(S[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)nnc1-c1cnccn1 488876297 GPXOTSQVZYLNEM-QGZVFWFLSA-N 442.548 5.027 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1cccc(OC)c1 488881090 VWKFDJMDGZDNPC-MRXNPFEDSA-N 433.537 5.351 30 20 IKED C=CCN(CCc1ccco1)C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 490440845 YLUAJANQSGHCGL-UHFFFAOYSA-N 437.927 5.472 30 20 IKED FC(F)(F)c1ccc(-c2n[nH]cc2CN2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 494997718 NYGCMZWXJOLRQZ-UHFFFAOYSA-N 431.302 5.412 30 20 IKED Cc1sc2ncnc(Sc3ccccc3C(=O)NCc3ccc(C#N)cc3)c2c1C 498379180 XJQYOBCNJJSMGH-UHFFFAOYSA-N 430.558 5.261 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 499812412 FFGABYAIVMVHOK-UGSOOPFHSA-N 446.359 5.651 30 20 IKED COc1cc(C#N)ccc1OCC(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 500350570 TVHFUAMHSZHIDT-UHFFFAOYSA-N 444.274 5.078 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)cc1 501013886 HKAVZKGJOHDURO-HXUWFJFHSA-N 428.939 5.239 30 20 IKED COc1ccc(SCCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 501439492 ACVMUGPBEUWLSZ-UHFFFAOYSA-N 432.545 5.461 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 502058590 QISRRWVIPUEDHX-IBGZPJMESA-N 432.528 5.314 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2c[nH]c3ccccc23)cc1Cl 503512778 JGPZGEIXFURAEW-JOCHJYFZSA-N 428.923 5.841 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(OCC(C)C)CC1 508465212 PBYQRMODQUZLTL-FQEVSTJZSA-N 434.584 5.399 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1csc([C@@H](C)OCC)n1 508829723 ZZUFQJLPYBDJAJ-CYBMUJFWSA-N 435.956 5.114 30 20 IKED CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)NCc2cccc(C#N)c2)ccc1Cl 510870025 RWRCNRYVHMVWJF-UHFFFAOYSA-N 446.938 5.196 30 20 IKED CCOc1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)ccc1OC 512565019 LVUCTEJBSDIVOO-UHFFFAOYSA-N 447.491 5.088 30 20 IKED Cc1ccc(-c2nnc(SCCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)o2)cc1 514897910 DQFRDCGVEXIECX-CQSZACIVSA-N 438.578 5.224 30 20 IKED C=CCN(C(=O)c1sc(CCC)nc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 515086470 ATQFUBJRTSCSGC-UHFFFAOYSA-N 428.539 5.269 30 20 IKED CC(C)(C)c1csc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)n1 517115589 RNQLNMNZADTTKP-UHFFFAOYSA-N 434.565 5.407 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)c2)cc1 517903196 DGBKGKYKMFQVLG-UHFFFAOYSA-N 437.503 5.638 30 20 IKED CC(C)CC(=O)Nc1cccc(CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1 518018347 AVLAZFLRZWFKMX-UHFFFAOYSA-N 445.494 5.404 30 20 IKED N#Cc1ccc(CN(c2nnc(COCc3ccccc3)n2Cc2ccccc2)C2CC2)cc1 518851468 LMEKQFIEMUGCDT-UHFFFAOYSA-N 449.558 5.084 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)cc1 519054428 VBLBRJKMUULQLQ-UHFFFAOYSA-N 439.515 5.786 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1C 520050989 ODKVQAUNAJBRMC-HXUWFJFHSA-N 435.568 5.238 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1ccc(C(F)(F)F)cn1 520076452 MBDBWDIJMCHVNC-LBPRGKRZSA-N 442.249 6.021 30 20 IKED COc1cc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(C)C 520271341 DXPAASPHNJWIKQ-KRWDZBQOSA-N 440.849 5.397 30 20 IKED COc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(Br)c1 521361965 VBZIHULKYOSJNW-UHFFFAOYSA-N 437.293 5.568 30 20 IKED CCN(C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccc(OC)c(OC)c1 522575430 ZMWISWCEOZOMAN-UHFFFAOYSA-N 436.895 5.688 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1nnc(-c2cc3ccccc3o2)o1 523837052 XZLNYFAGWGCYCZ-UHFFFAOYSA-N 427.913 5.345 30 20 IKED COc1cc(CSCC(=O)Nc2cccc(C)c2C)ccc1OCc1cccc(C#N)c1 523935863 MCLVLTMJBMHEHE-UHFFFAOYSA-N 446.572 5.635 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)o1 524387620 NPIHCAXYBDZVNU-UHFFFAOYSA-N 442.515 5.250 30 20 IKED C[C@@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524999212 DMBPGMUYYOJORM-GOSISDBHSA-N 449.938 5.206 30 20 IKED N#Cc1ccccc1COc1cccc(CNCc2cccc(NC(=O)c3ccccc3)c2)c1 533638851 QXFFBGSZRMAGSG-UHFFFAOYSA-N 447.538 5.679 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1cn(CC(C)C)nc1C(F)F 536409134 DAZRNKUJEZUTAG-UHFFFAOYSA-N 439.466 6.093 30 20 IKED N#Cc1ccc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1C(F)(F)F 537560335 DWQUOBMBWOAMMW-INIZCTEOSA-N 446.477 5.154 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc4ccccc4o3)c3cnn(C(C)C)c3n2)s1 539681395 JOSJFSPVEXMAFQ-INIZCTEOSA-N 441.516 5.680 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CCc2ccc(C#N)cc21 550522394 BJMAFGJNBRBCSN-UHFFFAOYSA-N 439.899 5.176 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(Cc4ccc(F)cc4)s3)n2)cc1 550643162 VVPIYAMPEHQQJB-SFHVURJKSA-N 433.533 5.795 30 20 IKED Cc1nc2cc(Cl)c(NC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)cc2s1 560707226 UCJKSFXLKWBTCJ-UHFFFAOYSA-N 428.920 5.124 30 20 IKED C=CCN(CCC#N)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 561017306 ZHEFQOAOSILKSL-SDXDJHTJSA-N 432.505 5.063 30 20 IKED N#Cc1cc(Br)ccc1CN[C@H](c1ccccc1OC(F)F)C(F)(F)F 561854919 PTKHKUCIPBJEJS-OAHLLOKOSA-N 435.190 5.315 30 20 IKED Cc1sc(C2(NC(=O)C[C@H](CC#N)c3ccccc3)CCC2)nc1-c1ccccc1F 566524643 BIGZGKCSBCNDGX-IBGZPJMESA-N 433.552 5.841 30 20 IKED COc1ccc(Cl)cc1C1(CNCc2ccc(C#N)cc2C(F)(F)F)CCOCC1 566885263 WWWNGDBMEDTTBC-UHFFFAOYSA-N 438.877 5.077 30 20 IKED C[C@@](C#N)(NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)C1CCCCC1 572673723 LXEZZFBQVYXEBW-RDGATRHJSA-N 437.971 5.180 30 20 IKED N#Cc1c(NC(=O)CCN2CCC[C@H]2c2ccc(Br)cc2)sc2c1CCC2 574659653 IPDDLIOVTNRFAY-SFHVURJKSA-N 444.398 5.037 30 20 IKED CC(C)OCc1cc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)ccc1O 574761208 BSKDPNZYUUGQRY-UHFFFAOYSA-N 445.519 5.606 30 20 IKED CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N[C@H](CCCC#N)c3ccccc3)cc2)cc1 590066694 ZTJALMQASUIWJP-RUZDIDTESA-N 447.560 5.025 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC(C(=O)c4ccc(Cl)cc4)CC3)o2)cc1 590270714 ZSZWAAURYASYOP-UHFFFAOYSA-N 448.906 5.119 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1)c1nc2cc(F)ccc2s1 592973481 FVFAWXLPCZJXRV-KRWDZBQOSA-N 445.454 5.041 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 598297408 WVCZCZHYXCUSBU-UHFFFAOYSA-N 437.352 5.045 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccccc1I 603968534 YKGTWBQFHXBKEU-UHFFFAOYSA-N 430.270 5.144 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)nc(O)n4C3CCCC3)cn2)cc1 604573251 WULSHIMJJRHEDA-UHFFFAOYSA-N 439.475 5.168 30 20 IKED C[C@H]1c2ccc(F)cc2CCN1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 606641984 GVWXJJCBDCJHIR-MUYACECFSA-N 426.376 5.364 30 20 IKED COc1c(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)sc(C)c1Br 608552991 GTNOYLLUKIUYPF-SECBINFHSA-N 425.304 5.067 30 20 IKED CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)n1 609216770 WIJUMAOUAZLFFJ-UHFFFAOYSA-N 438.487 5.950 30 20 IKED N#Cc1ccc(CCC(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)cc1 609724921 SIYTZFDBYROFRH-UHFFFAOYSA-N 439.302 5.084 30 20 IKED COC[C@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(C(F)(F)F)c1 609826801 CDSINZROFONDKN-KSSFIOAISA-N 437.487 5.466 30 20 IKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 609987856 KSAVLSGQJHRZOH-OZXSUGGESA-N 425.532 5.542 30 20 IKED COc1cccc(OCCCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 610017353 UCYPRTRRSSJTAL-UHFFFAOYSA-N 431.492 5.258 30 20 IKED Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1NC(=O)NC(C)(C)C 610130002 PDFMNFYFLOBVIK-SFHVURJKSA-N 433.339 5.217 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)N[C@H](C)c1cccc(C#N)c1 610326488 ZDXJVCMCIKZFGY-MRXNPFEDSA-N 427.483 5.442 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(C(=O)Nc4ccccc4)cc3)cn2)c1 611145076 MJOTYPDDSZSQBA-UHFFFAOYSA-N 434.455 5.250 30 20 IKED CCCOc1c(Br)cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1OC 613290545 FGSDEYKYFSZSTD-MRXNPFEDSA-N 439.309 5.285 30 20 IKED N#C[C@@H](C(=O)c1ccc(-n2cncn2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613347003 UWADIPZCIZEWFB-INIZCTEOSA-N 440.315 5.188 30 20 IKED N#C[C@@H](C(=O)c1csc(Cc2ccccc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 613403120 BOLHUEIANWFVNC-AWEZNQCLSA-N 443.475 5.852 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)Nc1cccc(Sc2ccccc2)c1 615298270 VUKRZOZRVTZCOR-KRWDZBQOSA-N 447.585 5.667 30 20 IKED CN(C(=O)N[C@H]1CCc2cc(C#N)ccc21)[C@@H]1CCSc2ccc(Br)cc21 618840419 CZTLAXIAKROZFJ-RBUKOAKNSA-N 442.382 5.187 30 20 IKED Cc1ccc(SCC(F)(F)F)c(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)c1 619727202 BTSCCCPEZHEKQE-UHFFFAOYSA-N 434.487 5.134 30 20 IKED C=C(C)[C@@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)c(F)c1 681330553 ZBKJYMKQNHFFSN-LMOYCYGVSA-N 444.366 5.791 30 20 IKED COc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2cc(Cl)c(O)c(OC)c2)CC3)cc1 727780468 NYLUZDSMHMJIPJ-NTEUORMPSA-N 427.909 5.399 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)c2)cc1 728669973 VYBWFJXIBMLXIT-UHFFFAOYSA-N 440.377 5.165 30 20 IKED COc1ccccc1[C@@H](C)CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 728765823 TZOUBYAOYXEUOP-GUYCJALGSA-N 445.371 6.496 30 20 IKED N#CCCN(C(=O)COC(=O)[C@@H](Sc1ccccc1F)c1ccccc1)c1ccccc1 730333643 MOANEUPOHYSELU-DEOSSOPVSA-N 448.519 5.149 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3nc(C)c(-c4ccccc4)o3)n2)cc1 730396350 SLBPUPJVSCOWPH-HXUWFJFHSA-N 443.528 5.591 30 20 IKED O=C1/C(=C\c2ccc(Cl)s2)CN(c2cnccn2)C/C1=C/c1ccc(Cl)s1 730433300 FEXBOTHPKXXXGU-AJDRMPRJSA-N 434.373 5.463 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1 730475608 UALPKALAQMPMNC-HXUWFJFHSA-N 448.404 5.663 30 20 IKED CC(C)c1cccc(O[C@@H](C(=O)OCC(=O)Nc2sccc2C#N)c2ccccc2)c1 730645155 YCCINMWEOSWKKR-JOCHJYFZSA-N 434.517 5.045 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1 733775021 NNPOCTROZFRVEY-IBGZPJMESA-N 429.451 5.101 30 20 IKED COc1cc(COC(=O)C2(c3ccc(F)cc3)CC2)ccc1OCc1cccc(C#N)c1 735131556 JLTDTQZGMQEFEK-UHFFFAOYSA-N 431.463 5.060 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCc1cc(Cl)ccc1OCC#N 735334403 PWKQIDBIGCKETG-UHFFFAOYSA-N 435.238 5.355 30 20 IKED O=C1/C(=C\c2ccc(F)c(F)c2)CC(O)(C(F)(F)F)C/C1=C/c1ccc(F)c(F)c1 735792661 IBXSMKXZJCFXOU-GFIWHYBVSA-N 430.319 5.366 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)ccc1OC 737553125 KPVAVAZLINZVHN-DNVCBOLYSA-N 434.458 5.205 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)cc1 741178489 HRCLQKSBZWDCQG-YPAWHYETSA-N 436.433 5.983 30 20 IKED CCCOc1ccc(/C=C\C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1OC 741446928 CCVJCLORGPYEBT-ZSOIEALJSA-N 428.550 5.096 30 20 IKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@H](Sc1ccccc1Cl)c1ccccc1 744975098 HWVYMSOPHQIKGK-GRWTVWFQSA-N 444.984 5.160 30 20 IKED N#C[C@@H](C(=O)CSCc1cc(-c2cccs2)on1)c1nc2cc(Cl)ccc2s1 747112163 ZVRNAKHVPKHOPU-ZDUSSCGKSA-N 445.978 5.776 30 20 IKED Cc1nnc([C@H](C)ON=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)o1 748536837 OEUJATQNQDVFBW-IBGZPJMESA-N 443.503 5.648 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(Cc2ccccc2)[C@@H](C)c2cccs2)cc1C#N 752308141 PXPVGCSFZXALEX-KRWDZBQOSA-N 448.548 5.983 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 752617316 QLMNRMCPGJKCKR-GAJHUEQPSA-N 446.617 5.097 30 20 IKED COC(=O)[C@@H](Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1)c1ccc(C#N)cc1 752798206 ADIGKHNWBGSPGM-QFIPXVFZSA-N 444.878 5.273 30 20 IKED C[C@@H](ON=CC(=O)Nc1ccc(F)cc1F)c1nnc(-c2ccc(Cl)cc2Cl)o1 757616932 VTQHYWDVJAWNMC-SECBINFHSA-N 441.221 5.024 30 20 IKED CC[C@@H]1CN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC[C@H]1NC(=O)OC(C)(C)C 757880599 HDSKRPNATNKQLS-RCCFBDPRSA-N 446.617 5.238 30 20 IKED CC(C)[C@@H]1CCCN1c1ccc(NC(=O)CCCC(=O)Nc2ccccc2C#N)cc1F 760422151 HEDXWPTZBUIOBN-QFIPXVFZSA-N 436.531 5.070 30 20 IKED O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 762222397 LSLZNDYAMSJMNS-YRNVUSSQSA-N 439.705 5.629 30 20 IKED Cc1ccc(-c2nc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cs2)cc1 764753850 YYZRPKTVUQSAPE-UHFFFAOYSA-N 433.320 5.446 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC(OCC3CCCCC3)CC2)c1=S 765034433 BMVBFINRAQKXSR-UHFFFAOYSA-N 441.645 5.071 30 20 IKED C#CCC(C)(C)C(=O)OCc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1 767665357 MRJPNHDQNABKBY-UHFFFAOYSA-N 425.337 5.227 30 20 IKED CC(C)(C#N)CCCCOC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 768736880 BWEREEZYQPQPGA-UHFFFAOYSA-N 431.579 5.118 30 20 IKED CCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H]1CCN(Cc2ccccc2)C1 771757742 PZJHBRKTLQVZEE-SVBPBHIXSA-N 438.575 5.470 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 772436064 SEBXZDMLKYAEMP-AEFFLSMTSA-N 444.601 5.087 30 20 IKED N#CCCCn1cc(C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])c2ccccc21 774172341 AYYMDACZYDAUIG-XMMPIXPASA-N 440.459 5.195 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C 776838381 ZAMSXTXVVBEPAO-INIZCTEOSA-N 437.565 5.488 30 20 IKED N#CC1(NC(=O)/C=C\c2cc(C(F)(F)F)ccc2Cl)CCN(Cc2ccccc2)CC1 778113659 JYONKRFLBFSCGR-TWGQIWQCSA-N 447.888 5.047 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 781447436 IHZIXGKOEQTHSI-ZDUSSCGKSA-N 448.784 5.460 30 20 IKED CCCOc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)N[C@@H](CC)c3ccccc3)cs2)cc1 787046208 PQDHSWTXVCCYHB-RTWAWAEBSA-N 447.560 5.189 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C/c1cn(CCC#N)nc1-c1ccncc1 788353979 CURYIDZRCWWDMI-VMPITWQZSA-N 443.507 5.326 30 20 IKED C[C@@]12CCN(C(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)C[C@@H]1C2(Cl)Cl 791190855 DJDDMYUSWKDBPP-AZUAARDMSA-N 435.738 5.660 30 20 IKED N#C[C@H](C(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1)c1nccc2ccccc12 792097891 YVESLKYONUNJPS-BJKOFHAPSA-N 435.483 5.079 30 20 IKED Cc1sc2ncnc(SCCC(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)c2c1C 797568566 UCYGQROKKPVNGP-CYBMUJFWSA-N 430.624 5.421 30 20 IKED C[C@@H]1CCCN(c2ccc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)cc2[N+](=O)[O-])C1 797571356 QVCIWABFAHUFHR-GDBMZVCRSA-N 426.542 5.075 30 20 IKED O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1cc(F)c(C(F)(F)F)cc1F 804544617 NPDJZTASSBJHRI-UHFFFAOYSA-N 435.274 5.440 30 20 IKED C#Cc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC=C)c1 819399886 ZMZNWCRWMCVPEW-UHFFFAOYSA-N 443.359 5.150 30 20 IKED N#C[C@H](C(=O)COc1ccccc1Cc1ccccc1)c1nc2ccccc2n1C(F)F 915106739 FQSQNPGVUVMBJP-LJQANCHMSA-N 431.442 5.277 30 20 IKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3ccco3)C2=O)cc1 916216552 WHXMXGPKMYQCFE-NRFANRHFSA-N 433.533 5.057 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccccc2F)o1 916901333 FHWIZIAWFURKEX-AWEZNQCLSA-N 426.831 5.017 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)C(=O)Nc2c(CC)cccc2CC)cc1OC 916903993 VAFLSLYWILIRQY-SFHVURJKSA-N 442.943 5.223 30 20 IKED Cn1c(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(Cl)c2ccccc21 916907832 XTFCXSRWQNSFES-SFHVURJKSA-N 443.890 5.585 30 20 IKED N#C[C@H](C(=O)COc1cccc(Cl)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995310 DRLOBJHDNOWQKH-OAHLLOKOSA-N 437.735 6.026 30 20 IKED N#Cc1cccc(COc2cccc(/C=C3/SC(=S)N(Cc4cccs4)C3=O)c2)c1 917643367 GFVVRAIGIPIVJI-CIAFOILYSA-N 448.594 5.600 30 20 IKED N#C[C@@H](C(=O)CCOCc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 918490788 VXNBURHEFSYAEJ-KRWDZBQOSA-N 431.344 5.900 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl 920101469 AVWRLGHVFGNQPO-HWYHOQROSA-N 430.813 5.754 30 20 IKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CCC4)CCC3)cc2)oc2ccccc12 1788968301 TURFNOANRZFFKL-UHFFFAOYSA-N 427.504 5.183 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc4ncccc4[nH]3)cc2)CCC1 1790838858 PNILOHUORRRVCM-UHFFFAOYSA-N 430.552 5.303 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5ccncc45)cc3)CCC2)c1 1790858568 OHTFTCANWDFFKL-UHFFFAOYSA-N 446.510 5.168 30 20 IKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2c1oc1ccccc12 1801203758 VZVCIGDRPBRSHR-BJWYYQGGSA-N 438.474 5.049 30 20 IKED N#Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)CCC4CCCC4)C3)CC2)c(Cl)c1 1808953580 IWJZTXHJPVZBJO-UHFFFAOYSA-N 442.003 5.027 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cccc(C)c3[nH]2)[nH]n1 1814828481 CIXJFBOURMKEQX-QFIPXVFZSA-N 445.567 5.274 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccoc3s2)[nH]n1 1819554328 SFVXOWFKODSTOO-KRWDZBQOSA-N 440.569 5.516 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ccoc23)[nH]n1 1819555762 ABSOJBZQRDODCN-HXUWFJFHSA-N 434.540 5.454 30 20 IKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(Cl)c2)CC1)C(F)(F)F 1831454674 FQWFUQMIPGIPOH-LJQANCHMSA-N 442.909 5.000 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1831858321 LBSWYGPDAPGRHB-JOCHJYFZSA-N 447.604 5.259 30 20 IKED Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(C)o1 1832634115 HTNPERGQTYKWPV-CJAUYULYSA-N 447.579 5.071 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)cc2)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 10172717 DPCAIIZKMDIVLP-UHFFFAOYSA-O 445.486 5.328 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl 32788556 QYGSKAOYLSZKCL-CQSZACIVSA-N 447.391 5.481 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(OCC(F)(F)F)c1 58779989 SFKGGJYMWREHKZ-UHFFFAOYSA-N 428.435 5.903 30 20 IKED CC(C)c1ccccc1-n1c(SC[C@H](C#N)CCC#N)nc2cc(Cl)ccc2c1=O 61734026 DYCVPJOHOZENHU-INIZCTEOSA-N 436.968 5.698 30 20 IKED CCn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nnc1-c1cccc(C)c1 97528537 KGQMNEWVBAQIQS-UHFFFAOYSA-N 429.549 5.117 30 20 IKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2Cl)o1)c1nc2ccccc2n1C(F)F 195557389 WSQMZWGDYLHEKJ-CQSZACIVSA-N 440.837 5.549 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C\C(=O)c1cccc(N2CCOC2=O)c1 208087818 NKWQCZJMOVKUIY-KHPPLWFESA-N 435.911 5.054 30 20 IKED CCOc1c(Br)cc(CN[C@H](C)c2cccc(C#N)c2)cc1Br 237037171 JHEJCISSJSCMIJ-GFCCVEGCSA-N 438.163 5.333 30 20 IKED N#C[C@@H](C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl)c1nnc2n1CCCCC2 302221246 IWIHPMYNELTFAG-JTQLQIEISA-N 439.755 5.669 30 20 IKED Cc1cc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)sc1-c1ccc(F)cc1 303707030 SQNRUANUWUNSCB-UHFFFAOYSA-N 425.369 5.820 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(Br)ccc1C 304020503 LVDUXZRHSGBMRI-UHFFFAOYSA-N 435.321 5.769 30 20 IKED N#Cc1ccccc1COc1cccc(CN(CCc2ccccn2)Cc2cccnc2)c1 430872752 LUGOBHFCGCHKJR-UHFFFAOYSA-N 434.543 5.172 30 20 IKED CCC(CC)n1nccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 431127818 KUVYGAJUTQNPQW-OAHLLOKOSA-N 433.364 6.165 30 20 IKED Cc1cc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 431690163 DLAGLLFXWLDUOZ-FQEVSTJZSA-N 441.457 5.756 30 20 IKED N#CCCC[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1ccccc1 431916969 RRVGHXYCBGOZHP-PWIZWCRZSA-N 430.321 5.178 30 20 IKED CC(=O)Nc1ccc(NC(=O)N[C@@H](c2cc(F)ccc2F)C(F)F)c(C(F)(F)F)c1 432904194 HMUAPJINFMVFSA-HNNXBMFYSA-N 437.315 5.070 30 20 IKED Cc1ccc([C@]2(C)CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)cc1 433268947 NJDRPJMULZEKLN-MUUNZHRXSA-N 439.559 5.836 30 20 IKED Cc1[nH]c2ccccc2c1C1=CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 435053441 QOMOGTPQBIQANJ-SFHVURJKSA-N 444.604 5.598 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C2CC2)[C@@H](C)c2ccc(Cl)cc2)cc1 437852513 QOAFSLVTAMLILL-SFHVURJKSA-N 437.971 5.912 30 20 IKED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 437996771 BYGSJOMWSFSSJP-COPCDDAFSA-N 448.485 5.084 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)N(C)Cc3nnc(-c4ccc(C#N)cc4)o3)s2)cc1 441471328 HBUHWCDTGSESRU-KRWDZBQOSA-N 429.549 5.542 30 20 IKED CC[C@H](C)[C@@H](NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)cc1 442159786 ZWGJIVIAEWTIQA-CKJXQJPGSA-N 444.000 5.434 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cccc(OCC(=O)N(C)C)c1)c1ccc(C(F)(F)F)cc1 442223749 FUWOTPRRPWWUGF-HXUWFJFHSA-N 449.473 5.001 30 20 IKED CN(C(=O)c1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1)C1CCCCC1 444023141 SSCHNKKMTYXQLL-UHFFFAOYSA-N 442.563 5.602 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1)c1ccc(C(F)(F)F)cn1 447246665 PDAYKWJFYWTSFL-MRXNPFEDSA-N 438.434 5.505 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 460791031 IPTJOWOSUQUEIN-GBXCKJPGSA-N 432.568 5.167 30 20 IKED Cc1cc(-c2nnc(N(CCC#N)CC3CC3)n2Cc2cccs2)c2ccccc2n1 461481382 GYHIIIFFLGXJOH-UHFFFAOYSA-N 428.565 5.042 30 20 IKED C[C@@H](C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F)c1cccc(C#N)c1 462395812 VRWQHTOMDNTYPT-FOIQADDNSA-N 437.893 5.057 30 20 IKED CS(=O)(=O)c1cccc([C@@H](Nc2ccc(C#N)c(Cl)c2)c2cc(F)ccc2F)c1 462930854 CVLHHRWWTWKKMO-OAQYLSRUSA-N 432.879 5.095 30 20 IKED COc1ccccc1[C@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1Cl 466071464 AOCYTNWBXMLWDB-HSZRJFAPSA-N 433.939 6.061 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@H](Cc3cccc(F)c3)c3cccc(F)c3)ccc21 468777749 BAKVXKDDZRRRRV-RUZDIDTESA-N 445.513 5.944 30 20 IKED N#CCCCn1cc(C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)c2ccccc21 469737095 ZKSVOWDMBZKBJG-XMMPIXPASA-N 442.950 5.707 30 20 IKED C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 472713823 KFMYEIMHRZPSDO-JXFKEZNVSA-N 449.605 5.187 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)s2)cc1OC 474426832 LUUYFSCKAGZSEV-CQSZACIVSA-N 427.551 5.206 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CSc1nnc(C)n1-c1cccc(OC)c1 476158142 RBZKYAWRFBCKNX-UHFFFAOYSA-N 436.581 5.167 30 20 IKED Cc1ccc(-c2ccc(Cl)cc2NC(=O)CCC(=O)N(CCC#N)c2ccccc2)o1 477928172 CXTAZXOGZLBEFY-UHFFFAOYSA-N 435.911 5.574 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 479493850 CINMGYXKKJLFGG-UHFFFAOYSA-N 439.496 5.807 30 20 IKED CCC(CC)N(CCOC)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 480432515 HWXDQEDIUVLQKK-UHFFFAOYSA-N 429.948 5.460 30 20 IKED C=C(C)Cn1c(SCC(=O)N(c2ccccc2)C2CCCCC2)nnc1-c1ccncc1 481341745 HPDPDEDBXDMBIK-UHFFFAOYSA-N 447.608 5.374 30 20 IKED CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 482907544 LVAVLPNPSNHPDA-GOSISDBHSA-N 427.504 5.265 30 20 IKED COc1cc(OC)c(OC)cc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 483390931 HJMPBAXLEQXNHK-UHFFFAOYSA-N 438.867 5.282 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCOc2cccc(Cl)c2Cl)cc1 487832448 GIWSVWZSPIGPIG-UHFFFAOYSA-N 431.241 5.225 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(OCc3ccc(F)cc3)cc2)cc1 491569397 KZDQKAIHZSSEQE-SFHVURJKSA-N 447.510 5.203 30 20 IKED COc1cccc(Oc2ccc(N[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)cc2)c1 495564834 VRKLZSMLKPNLEZ-HNNXBMFYSA-N 433.533 5.348 30 20 IKED CC(C)n1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1C1CC1 498268066 LPSZRTSERYBVFO-UHFFFAOYSA-N 434.927 5.698 30 20 IKED N#Cc1cc(C(=O)N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cnc1C(F)(F)F 500360752 GTDOLRFTLINTNL-HNNXBMFYSA-N 446.429 5.042 30 20 IKED COc1ccc(C#N)cc1NCc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1 501003225 NMNBRWFJELGNSA-UHFFFAOYSA-N 446.454 5.339 30 20 IKED C=CCN(C(=O)[C@H]1CCO[C@H](CC)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502568559 HBOTWRSIWFBZCL-LSDHHAIUSA-N 425.381 5.841 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 504967748 UJJQRACUAXDYAF-XMMPIXPASA-N 435.955 5.425 30 20 IKED COc1ccc([C@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)c2ccccc2OC)cc1 506352394 VEQFHMMGKSNZNX-ZCYQVOJMSA-N 429.520 5.137 30 20 IKED N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC(Oc2ccc(F)cc2F)CC1 506979472 RZNVWHXZCVJWEJ-UHFFFAOYSA-N 431.389 5.034 30 20 IKED C[C@@H](Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1)C(=O)NC1(C#N)CCCCC1 507821857 AGZFWFLSFXRLTB-MRXNPFEDSA-N 449.942 5.219 30 20 IKED CCN(CC)[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1ccco1 508283052 VWFPAQGLKFMLBT-OAQYLSRUSA-N 448.523 5.157 30 20 IKED N#CCC[C@H](C#N)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1 508519923 MQWBADDONQJNFR-CYBMUJFWSA-N 432.336 5.429 30 20 IKED C=CCOc1cccc(NC(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)c1 509101077 UTYSSVUXJPGSDK-UHFFFAOYSA-N 426.925 5.779 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccnc(N3CCCCC3)c2)cc1 510534503 QNPVDNNPYDYAPZ-UHFFFAOYSA-N 427.508 5.058 30 20 IKED Cc1nc(-c2ccc([C@@H](C)NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2)cs1 510859471 LASSWKBFEUYBQZ-QGZVFWFLSA-N 446.576 5.304 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCC[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 510893296 AOGPFYCIGSVDOF-SJBKTWHCSA-N 436.625 5.361 30 20 IKED CCc1c(C)sc(NC(=O)c2ccc(Br)cc2Br)c1C#N 512786930 FCJZYAQEWYAKCT-UHFFFAOYSA-N 428.149 5.268 30 20 IKED O=C(CC(F)(F)F)Nc1ccc(NC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)cc1 513025360 DOBDPERVQUWYAV-UHFFFAOYSA-N 448.338 5.406 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)nnc1-c1cccnc1 514960322 DFPKIMQNZZHXQR-ZWKOTPCHSA-N 443.576 5.037 30 20 IKED Cc1nc(CSc2ccccc2C(=O)Nc2ccc(C#N)c(Br)c2)cs1 515014493 QAWZRZXCXYHPCK-UHFFFAOYSA-N 444.379 5.630 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1 516390334 DYSGIHIBLICELG-HSZRJFAPSA-N 432.520 5.203 30 20 IKED Cc1ccc(OC2CCN(C(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)CC2)cc1 516597594 BHQZVCJCLUFVIE-UHFFFAOYSA-N 442.563 5.073 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(Cc4ccccc4)n3)n2)cc1 516714131 QLPCALUANVMRJV-SFHVURJKSA-N 431.542 5.356 30 20 IKED C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 517626918 MKVGXUHQOMEKBA-QUCCMNQESA-N 429.549 5.092 30 20 IKED C=CCn1c(SCC(=O)N(C2CC2)[C@@H](C)c2ccco2)nnc1-c1ccc(Cl)cc1 518395938 ZFTOFDWIJYTTJR-HNNXBMFYSA-N 442.972 5.222 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)cc2)nc1 518910575 IXNYBNCPHGBOQF-UHFFFAOYSA-N 446.466 5.449 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 519434044 LEMNDBBKLJVQSN-YEJXKQKISA-N 443.981 5.159 30 20 IKED CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1=O 519515306 BTEABKJUUWVAOZ-OTWHNJEPSA-N 435.593 5.586 30 20 IKED CC(C)(Cc1ccc(Br)cc1)NC(=O)CCCCOc1cccc(C#N)c1 520328910 PLBAFEIXWVBUFQ-UHFFFAOYSA-N 429.358 5.007 30 20 IKED C[C@@H]1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C[C@H](c2ccccc2)O1 520405372 CGYYWNNRXNBWTB-NTKDMRAZSA-N 428.557 5.453 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)N[C@H](Cc3ccccc3)c3ccccc3)CC2)c1 520621641 OEPCNOSLTMJUBW-AREMUKBSSA-N 425.532 5.095 30 20 IKED Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 520715035 DZFYCRYLKGFIMZ-UHFFFAOYSA-N 431.467 5.645 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCc2ccc3nc(O)[nH]c3c2)cc1Cl 520720606 WXMBSPNGXWEAGL-FQEVSTJZSA-N 444.922 5.539 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 520985964 FMYOFOQOKSJHRV-UHFFFAOYSA-N 426.929 5.269 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccccc3SCCC#N)c12 521716775 UNZIEIFKBJPOSY-UHFFFAOYSA-N 432.505 5.693 30 20 IKED Cn1c([C@H]2CCCN2C(=O)c2cccc(COc3cccc(C#N)c3)c2)nc2ccccc21 522411487 VXDACGGCFPUKBE-RUZDIDTESA-N 436.515 5.001 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)Nc3sc4c(c3C#N)CCCC4)ccc21 524537520 UHMKZDCWQGUJOB-UHFFFAOYSA-N 432.471 5.700 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)nnc1-c1ccoc1C 525560300 NPMCFPAMTKPKRQ-AWEZNQCLSA-N 441.944 5.513 30 20 IKED Cc1c(C[S@](C)=O)cccc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 534884895 HYCLZYPZLAOCSE-PMERELPUSA-N 438.936 5.443 30 20 IKED C=CCN(C(=O)C[C@H]1CCCC(C)(C)C1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 535954883 QDZHSUROJYHUOI-QGZVFWFLSA-N 446.638 5.339 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(OC(F)F)cc(OC(F)F)c1 540494472 BLWGIBLKCJOLJL-NSHDSACASA-N 428.407 5.536 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2ccc(Cl)cc2Br)n1 542015168 PCWYKNRIKIFFIF-UHFFFAOYSA-N 436.096 5.066 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2Cc3ccccc3OC[C@@H]2C)cc1 542953747 XTEYQZUKPVAVHQ-KRWDZBQOSA-N 429.476 5.174 30 20 IKED Cc1ccc(Oc2cc(-c3noc(CCc4c(C)nn(CCC#N)c4C)n3)ccn2)cc1C 544846494 WNOMWIMVPKNXPH-UHFFFAOYSA-N 442.523 5.053 30 20 IKED CNC(=O)Nc1cc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)ccc1F 552312875 ZAJRAVKKHQGLQF-UHFFFAOYSA-N 438.846 5.147 30 20 IKED CC[C@H](C)n1c(SCC(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1ccccc1 553945431 PZBNXSPWOXPUCK-KRWDZBQOSA-N 437.544 5.094 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(O[C@H](C)c2ccccc2)cc1C 554186381 WGHTUSJACITPHE-HXUWFJFHSA-N 434.536 5.831 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)Nc1c(C(C)C)cccc1C(C)C 554874513 TXUPCEJLZMIMDO-UHFFFAOYSA-N 435.955 5.721 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(OCc2ccccc2)CC1 558982931 JMNLPWGDOIKSJW-UHFFFAOYSA-N 439.563 5.255 30 20 IKED N#Cc1ccc(CNCc2nc3c(s2)C[C@H](c2ccccc2)CC3)c(C(F)(F)F)c1 574028020 DPEXVDVHTQZBQU-QGZVFWFLSA-N 427.495 5.596 30 20 IKED COc1ccccc1O[C@@H]1CCCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 579749352 SAIHCBZDENRBHV-ZWKOTPCHSA-N 425.554 5.165 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(F)c(F)cc1C(=O)c1ccccc1 581683657 ASKRUHGZASZGAT-UHFFFAOYSA-N 437.490 5.192 30 20 IKED CSc1nc(C2CC2)cc(-c2nc(-c3cccc(NC(=O)C4CCC4)c3)no2)c1C#N 582511882 OZTDKKGZYVOFTP-UHFFFAOYSA-N 431.521 5.008 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1nc2ccccc2n1C(F)F 584559596 YLUINDJWZZUXNX-AWEZNQCLSA-N 448.433 5.373 30 20 IKED O=C(NCc1cccc(OCC(F)F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 588200664 BLHHATMHSWXYOV-RYUDHWBXSA-N 448.354 5.039 30 20 IKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(O[C@H](C)c2ccccc2)cc1C 590367385 IRDCDMMGMVXOOF-LJQANCHMSA-N 434.561 5.350 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 599517310 AXXDSYSYDFRMLW-SJORKVTESA-N 449.366 5.865 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)Cc3csc(-c4ccccc4Cl)n3)cn2)c1 603623148 FMWXGJSNHHKLHB-UHFFFAOYSA-N 446.919 5.704 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)o1 603837953 YOTVZRVTXOSBHP-UHFFFAOYSA-N 444.516 5.192 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)cn2)c1 604517461 NQYQQZCRVZDCJU-UHFFFAOYSA-N 443.444 5.030 30 20 IKED O=C(NCCc1c[nH]c2ccc(F)cc12)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604914541 RIAHDLXRGIODNT-VXGBXAGGSA-N 439.375 5.058 30 20 IKED CC(C)[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 608843286 JAEWGYVAKYBQAJ-QFIPXVFZSA-N 446.517 5.048 30 20 IKED C=CCN(CCc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609078518 WFGQWMVDGZFNPW-UHFFFAOYSA-N 425.532 5.708 30 20 IKED COc1ccc(C)cc1CCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609078899 UAZNYSSCEOWECD-UHFFFAOYSA-N 429.520 5.127 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CCCc3nc4ccccc4s3)cc2F)c1 609107060 UJNVXPRHCQKTEY-UHFFFAOYSA-N 445.519 5.847 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1 609399452 YHEBTOSBJXRIHG-SFHVURJKSA-N 433.581 5.425 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1cccc(Sc2ccccc2)c1)c1ccccc1 609460273 LZOXGGOVJGFVIZ-UHFFFAOYSA-N 429.545 5.503 30 20 IKED N#C[C@H](NC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccccc1Br 609593637 CXNAMWPJZVBMRB-HNNXBMFYSA-N 438.306 5.313 30 20 IKED C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609682479 ZOVHBYKJKPNUMB-AVRDEDQJSA-N 429.495 5.686 30 20 IKED CC(C)C(=O)Nc1cccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 609723216 VGIJZITVAGIZTR-UHFFFAOYSA-N 433.895 5.851 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 610040851 RNHGWNPSSMQGLR-UHFFFAOYSA-N 439.422 5.139 30 20 IKED N#C[C@H](C(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)c1ccc2ccccc2n1 613290740 KVOQWZVFVIFVPF-FQEVSTJZSA-N 434.524 5.698 30 20 IKED COc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cs2)cc1 613318298 WLWWUKLRGMBVJH-GOSISDBHSA-N 431.542 5.741 30 20 IKED Cc1ccc(-c2noc(CCCN3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)n2)cc1F 618448937 CUHUDRFXVUKJKD-KBPBESRZSA-N 439.375 5.179 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)ccc1OCc1cscn1 642281799 RBCSFLISTCDECR-SFHVURJKSA-N 447.541 5.344 30 20 IKED CC(C)(CNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F)C(F)(F)F 669855061 UCXQHTYTWKVOEO-UHFFFAOYSA-N 447.301 5.228 30 20 IKED C=CCn1c(SCCOC(c2ccccc2)c2ccccc2)nnc1-c1ccncc1 684184666 SRGCYZKNQHYGIZ-UHFFFAOYSA-N 428.561 5.424 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](SCc3ccccc3)C(C)C)n2)cc1 727631397 DSIBRZBYIUOXGY-NFBKMPQASA-N 436.602 5.953 30 20 IKED N#C[C@H](C(=O)Cc1c[nH]c2cc(Cl)ccc12)c1nc(-c2c(F)cccc2F)cs1 727957146 MXPJWWIJTGTVAX-CQSZACIVSA-N 427.863 5.642 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)/C=C/c3cnc4ccccc4n3)cc2Cl)c1 727999853 UJCOIUIMPFCHBK-PKNBQFBNSA-N 440.890 5.386 30 20 IKED COCCOc1cccc(F)c1C(=O)/C=C/c1cc(C)c(OCc2ccccn2)c(C)c1 729240454 MHOAVGSDXCXRSF-ZHACJKMWSA-N 435.495 5.338 30 20 IKED Cc1noc(C)c1COc1ccc(CC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1 730416611 FFYQYAKEIKBAGN-GOSISDBHSA-N 435.480 5.038 30 20 IKED Cc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccccc3SCC#N)c(F)c2)cc1C 730632321 SBOVKUZRMNYHSC-UHFFFAOYSA-N 448.519 5.521 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cc(Br)cnc3Cl)cc2)c1 731331966 YLJSWKSZKJHIDW-UHFFFAOYSA-N 428.673 5.414 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CCOc3ccc(Cl)cc3C2=O)cs1 733748731 HZXZBZCVUWEGAM-UVTDQMKNSA-N 442.899 5.669 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Sc3nc(C)cs3)cc2)c1 733844236 UJZAYADOSGAKCI-SFHVURJKSA-N 438.578 5.605 30 20 IKED C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1nc2ccccc2s1 734211825 ZRJSXRFZLFTSDE-OAHLLOKOSA-N 446.507 5.769 30 20 IKED N#CCOc1ccc(Cl)cc1CSc1nn(-c2ccc(Cl)cc2)c(=S)s1 735231644 XPVIKSDBPFHGDO-UHFFFAOYSA-N 440.402 6.165 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1NC(=O)CC(C)C 744032094 CCDZMZHGNVNNLY-SFHVURJKSA-N 446.334 5.248 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)cc1 744033852 VYGGDZVTOXEWQN-VGSWGCGISA-N 433.552 5.454 30 20 IKED C=C(C)COc1cc(/C=C2/SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)ccc1OC 747039715 FMZXQPSGAIWBKC-CIAFOILYSA-N 439.558 5.259 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)C1CC(OCc2ccccc2)C1 747107946 KBXNHOKHWSHQMR-IQWMQGJTSA-N 440.499 5.122 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)CSCc2ccc(Br)cc2F)n1 747198521 YHUUPCZIPPLAJM-CYBMUJFWSA-N 427.364 5.278 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cnc(-c3ccccc3Cl)s2)cc1 748004294 WBOUBKHKZLFPGT-GOSISDBHSA-N 437.952 5.767 30 20 IKED O=C(O)C(=O)/C(=C\c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1)c1ccc2ccccc2n1 752238883 YNHOHOSLFGITAS-STZFKDTASA-N 440.411 5.130 30 20 IKED CC[C@@H](Cc1ccccc1Br)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 757876556 XQVCHYYCYZDFDZ-ZFWWWQNUSA-N 446.295 5.639 30 20 IKED C[C@H](NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1ccc(C(C)(C)C)cc1)c1cccs1 762441807 VRHDGALKTSFVLJ-KRWDZBQOSA-O 448.637 5.767 30 20 IKED C=CCn1c(-c2cccs2)nn(CN2CCO[C@@H](c3cccc(Cl)c3)C2)c1=S 767487226 BUFXELWMSOMCGW-QGZVFWFLSA-N 433.002 5.013 30 20 IKED Cc1c(-c2cc(COC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)on2)cnn1C 767545550 ORJQFAJKRNXNEZ-UHFFFAOYSA-N 448.866 5.058 30 20 IKED CC(C)c1nn(Cc2ccccc2)c(Cl)c1C=NNc1ccnc(Br)c1 769813485 KANFZVSWISMORQ-UHFFFAOYSA-N 432.753 5.312 30 20 IKED O=C(/C=C\c1nc2ccc(Br)cc2s1)c1ccc(N2CCCC2=O)cc1 773125901 PUUISPXMNJTBJJ-KTKRTIGZSA-N 427.323 5.082 30 20 IKED CCc1ccc(N(C(C)=O)c2nc(COC(=O)/C=C\c3ccccc3C#N)cs2)cc1 775081098 DWCDJSYBQXSASW-RAXLEYEMSA-N 431.517 5.018 30 20 IKED C[C@H](C#N)Oc1ccccc1NCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 779746472 VVEHQDZQBADAGW-SECBINFHSA-N 433.122 5.642 30 20 IKED COc1ccc(C[C@H](NC(=O)Nc2ccccc2O[C@H](C)C#N)c2ccc(OC)cc2)cc1 780674168 KRDUVNANKZLLOY-KOSHJBKYSA-N 445.519 5.100 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCC(=O)c3ccc4c(c3)CCC4)n2)cc1 783360818 IJSCKAACIOBNSL-OAQYLSRUSA-N 430.529 5.147 30 20 IKED CC(C)(C)OC(=O)NCc1cccc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)c1 786915601 WXFBAEVRVLMFJL-KRWDZBQOSA-N 434.323 5.013 30 20 IKED COc1ncc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1Cl 789157675 POSYFUFXWANVNS-VMPITWQZSA-N 448.331 5.434 30 20 IKED O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(Cl)cc1-c1cccc2ccccc12 790088842 FIGKDCTTYAUPLP-IZHYLOQSSA-N 445.906 5.015 30 20 IKED N#Cc1ccc(OC2CCN(Cc3c(-c4ccccc4)nc4sccn34)CC2)c(F)c1 796517759 ZZXWQBOJINJCFZ-UHFFFAOYSA-N 432.524 5.117 30 20 IKED O=C(Nc1cccnc1)/C(=C\c1csc(-c2ccc(F)cc2)n1)C(=O)c1ccccc1 797162705 AJIXIIGGRDJUJH-BKUYFWCQSA-N 429.476 5.249 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)s1 797569437 QJIRKLBJKRWEFW-LLVKDONJSA-N 430.883 5.186 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)s1 797571979 SKCPLHRJBJHJJO-ZRNYENFQSA-N 435.593 5.090 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cnccc1Oc1ccccc1 800272019 ZFFKSXYSGLTHKT-QGZVFWFLSA-N 447.516 5.064 30 20 IKED C[C@H](N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21)c1ccc(C#N)c(F)c1 810257605 NQELZJYTWMQNPM-BTYIYWSLSA-N 439.531 5.997 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H](NC(=O)Cc1ccccc1CC#N)CC(C)(C)O2 810957359 CXAKJXWEUMIIJH-NRFANRHFSA-N 449.551 5.061 30 20 IKED CC(C)(C)c1cnc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)s1 814784292 AJHKCQCWZRFMSK-UHFFFAOYSA-N 442.397 5.089 30 20 IKED N#C[C@@H](C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1nc2ccccc2o1 915104784 LPKBBVXTKDKQNK-GHTZIAJQSA-N 443.890 5.219 30 20 IKED CCOc1cc(/C=C/C(=O)c2cc(F)ccc2F)ccc1OCC(=O)Nc1ccccc1 916134441 IWHQWSFVQFDHAX-XYOKQWHBSA-N 437.442 5.277 30 20 IKED Fc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1Br 916546044 CINYCUVCEKTVIC-UHFFFAOYSA-N 425.714 5.008 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(-c2ccccc2F)o1 916887801 RARBJJXLEYAQAN-OAHLLOKOSA-N 430.407 5.362 30 20 IKED Cc1nc(-c2ccccc2)sc1C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 916944698 LDBFAJQHODUEMR-INIZCTEOSA-N 430.316 5.387 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 917712591 IUWNESSKZBVWJO-UHFFFAOYSA-N 428.267 5.210 30 20 IKED Cc1cc(-c2noc(CCC(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)n2)ccc1F 918492263 PXIHEIZIXDLORC-CQSZACIVSA-N 440.887 5.256 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)s1 920143644 ZEPOEDUECNPKHV-INIZCTEOSA-N 446.582 5.594 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN(C2CC2)[C@H](C)c2ccc(Cl)cc2)c1=S 920305367 LDMONLVRLGYKLR-MRXNPFEDSA-N 425.989 5.499 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)C1 1785809158 WDSLGJKFNVRGOI-UHFFFAOYSA-N 443.547 5.059 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3cc(F)ccn3)CCC2)cc1 1789452855 BFLWPWIIDZTHLF-QHCPKHFHSA-N 435.543 5.056 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ccnc4ccccc34)CCC2)cc1 1791299699 ZTMWNYNPBBATGS-UHFFFAOYSA-N 435.474 5.194 30 20 IKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)C4CC5(CCC5)C4)cc3)CCC2)cc1 1792037891 VMPMGUARIYJBIL-UHFFFAOYSA-N 441.575 5.205 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C[C@H]4CCCCO4)CCC3)cc2)c1 1792122647 DILOURCVMFFSQF-NTKDMRAZSA-N 445.563 5.021 30 20 IKED CC(C)(C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCCCc1ccccc1)C2 1792707464 XRMKEUVZLPYTGY-BKFWDETESA-N 437.628 5.148 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](CC)c2ccccc2)[C@@H]1c1cccnc1 1806269766 QEQSMPOSUKEFOH-DSITVLBTSA-N 447.623 5.274 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/C3CCCC3)n[nH]2)c1 1820902744 GEKPZVURMDZCAV-IBZIQKAZSA-N 445.567 5.089 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)nc2F)CC1 1825373711 QYLWMOGYIGIWAN-LJQANCHMSA-N 449.998 5.100 30 20 IKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1832564817 JSPQNEWOUKZHMQ-OAQYLSRUSA-N 449.422 5.339 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@]2(F)CCCC=C2F)CC1 1832981378 UVCLHVGAGSJVOE-OTPAQWSUSA-N 434.571 5.120 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(C(C)(C)C)cc2)cc1 10173220 OXXJQTWVSHBZHT-UHFFFAOYSA-O 439.551 5.909 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1cc(C)n(C)c1C)[n+]1ccc(C(C)(C)C)cc1 10174312 XPWGBPKWRNNEJF-UHFFFAOYSA-O 448.656 5.840 30 20 IKED Cc1cc(C)c(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccccc2)cc1C 10759852 UDGGFULQKYRPAS-UHFFFAOYSA-O 427.952 5.743 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccc(F)cc1 16835758 GCFMOTAUAJPIPZ-CQSZACIVSA-N 430.936 5.351 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)c2)c1 32289215 YOHFVRNGXNWFKW-UHFFFAOYSA-N 445.906 5.170 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)c2ccc(OCc3ccccc3C#N)cc2)c(OC)c1 33240390 IOECJQOFFQICMU-RUZDIDTESA-N 442.515 5.132 30 20 IKED N#Cc1cccc(COc2cccc(NCC(=O)Nc3ccccc3C(F)(F)F)c2)c1 63461632 QVGVKFXDANVCNP-UHFFFAOYSA-N 425.410 5.207 30 20 IKED N#CCCCOc1cccc(NC(=O)CSCc2ccc(Br)cc2F)c1 64919326 PUUXBMXAHJPYIJ-UHFFFAOYSA-N 437.334 5.143 30 20 IKED Cc1ccc(C)c(OCc2nnc(Sc3cc(C)c(C#N)c4nc5ccccc5n34)o2)c1 71872254 SOYBVFCUSJHQHZ-UHFFFAOYSA-N 441.516 5.398 30 20 IKED CC(C)n1c(C2CCN(C(=O)c3ccccc3-c3ccccc3C#N)CC2)n[nH]c1=S 97555134 HNXULRMSSKBLMU-UHFFFAOYSA-N 431.565 5.080 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cc3sc(N(CC)CC)nc3s2)cc1 111019057 CJHNZENAVIBCPO-UHFFFAOYSA-N 428.583 5.163 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(Cl)nc(N3CCCC3)c2)cc1 303499475 MBWYFZMPIYCZLD-UHFFFAOYSA-N 446.938 5.233 30 20 IKED C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCN1Cc1ccccc1 303729697 DHSXQPYVMOLGKY-BWKNWUBXSA-N 439.559 5.476 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(OCC(F)(F)F)c(F)c3)o2)cc1 410412439 BNULWVFZPZCCKV-UHFFFAOYSA-N 434.345 5.063 30 20 IKED N#Cc1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c(Cl)c1 426144540 UYCSCKOPMZBBMO-OAHLLOKOSA-N 442.306 5.327 30 20 IKED N#CCCn1ncc(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)c1-c1ccccc1 429990487 VDPBGFGRLKOEJF-UHFFFAOYSA-N 441.510 5.104 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)s1 430602950 IGIFWKPXHFIHLV-LLVKDONJSA-N 436.434 5.274 30 20 IKED CN(C[C@@H](O)Cc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 432676340 FLTCKEKNBQUTTA-JTHBVZDNSA-N 433.939 5.063 30 20 IKED COc1ccc(Cc2nnc(SCCC(C#N)(c3ccccc3)c3ccccc3)o2)cc1 434642411 HORSHPGRSKHDKC-UHFFFAOYSA-N 441.556 5.661 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1csc(CCc2ccccc2)n1 435519002 WYASIRVNXCXRDH-UHFFFAOYSA-N 432.593 5.168 30 20 IKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c12 436335061 GOXCCPAYXUYPRV-PZJWPPBQSA-N 440.503 5.518 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc(Cl)cc(Br)c2)c1C 437315118 KLMFDRVUXZRTHB-UHFFFAOYSA-N 429.705 5.029 30 20 IKED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1 437493223 SVESUZYZCWYIAB-TYMWGCGNSA-N 448.588 5.333 30 20 IKED CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 438025239 UTQROOKJWIGATA-SIKLNZKXSA-N 438.959 5.124 30 20 IKED Cc1c(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cccc1C(=O)Nc1ccccc1 438198960 GVAQYUDSETUZSL-ILBGXUMGSA-N 438.531 5.551 30 20 IKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H]1Oc2ccccc2[C@@H]1C 438633636 ODPCVCCZZFEIJY-LZJCXSABSA-N 441.531 5.406 30 20 IKED CC(C)C(=O)Nc1ccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 438662789 DZRPOIWTOKLMOD-UHFFFAOYSA-N 446.482 5.406 30 20 IKED CC(C)n1cnnc1-c1ccccc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 439639869 ANMSIQPSAWIRGZ-UHFFFAOYSA-N 437.503 5.229 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 443919958 JKPJPVOMBNKBII-HOTGVXAUSA-N 438.528 5.773 30 20 IKED N#CCCN(C(=O)CCC(=O)N(Cc1ccccc1F)c1ccccc1)c1ccccc1 446068667 IMAPIQHZPCFHJS-UHFFFAOYSA-N 429.495 5.086 30 20 IKED CS(=O)(=O)c1cccc([C@@H](NCC#Cc2cccc(Cl)c2)c2ccc(Cl)cc2)c1 448078674 VMXZXTZPKZLPEB-QHCPKHFHSA-N 444.383 5.128 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC[C@@H](COCc3ccccc3)C2)c1 460522057 IDDMLBYALMXFBW-HXUWFJFHSA-N 446.934 5.683 30 20 IKED CC(C)c1ccc([C@@H](NC(=O)Nc2cnn(-c3ncccc3C#N)c2)c2cccs2)cc1 462109359 PVRHYKAOZBHLPW-JOCHJYFZSA-N 442.548 5.235 30 20 IKED COC(C)(C)c1nc(C)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1 463586717 CKTQALIZZMXAFL-GOSISDBHSA-N 439.968 5.894 30 20 IKED N#C[C@H](C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1cc(C(F)(F)F)ccn1 464412075 QOIOGIBEIRMCTP-IBGZPJMESA-N 432.405 5.443 30 20 IKED N#C[C@@H](C(=O)c1ccccc1OCCOc1ccccc1)c1cc(C(F)(F)F)ccn1 464412328 RNAIXCCINLKVLZ-LJQANCHMSA-N 426.394 5.048 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccc4cnccc34)s2)c(C(F)(F)F)c1 465032529 MKTHEBSJEQDIES-UHFFFAOYSA-N 438.434 5.425 30 20 IKED Cc1ccc(-c2ccnn2C)cc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 467712528 HQLAJSIOVRZALD-UHFFFAOYSA-N 438.556 5.812 30 20 IKED Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)o1 470544909 ANZJYFOBQIIRNG-JTSKRJEESA-N 434.540 5.176 30 20 IKED C=C(C)[C@H](NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)c1ccc(F)c(F)c1 477747587 XIYYBSKNOJXGDE-DYVFJYSZSA-N 445.457 5.647 30 20 IKED C=C(C)[C@@H](NC(=O)Cn1c(-c2scnc2C)nc2ccccc21)c1ccc(F)c(F)c1 478906588 AALFTFJALSTMHQ-OAQYLSRUSA-N 438.503 5.180 30 20 IKED C=C(C)Cn1c(S[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccncc1 481370202 KJRTUCMBIVMARG-AWEZNQCLSA-N 447.486 5.054 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)cc1C 482056541 QFHIWAAKXCVTNY-IBGZPJMESA-N 432.490 5.131 30 20 IKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@H](C#N)c3cnc4ccccc4n3)c2)cc1 483206041 VEFVSHFBGYQGFK-XMMPIXPASA-N 449.510 5.220 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(CCC2CCCCC2)o1 488859159 SEUCMFHXFYWZKK-MRXNPFEDSA-N 444.626 5.565 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2F)nnc1-c1cccc(Cl)c1 489621705 JNSDFTOJEDBKEP-GFCCVEGCSA-N 434.899 5.182 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1cccc(Cl)c1 489628483 VTTPKCLERKZJBJ-INIZCTEOSA-N 426.973 5.521 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCCCC(=O)c1ccc(F)cc1 490289281 VNBFDMAQAPVJPH-UHFFFAOYSA-N 444.506 5.967 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1C 491550539 KWDYVKLMTZSKEF-UHFFFAOYSA-N 433.483 5.257 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)cc1 493964427 CQOKEXDAOABJPY-MSOLQXFVSA-N 437.259 5.015 30 20 IKED CN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 498030528 IMRMZJWXBJXUJL-IAGOWNOFSA-N 441.375 5.399 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@H](C#N)c4ccc(Cl)cc4)cc3)o2)cc1 499804888 UUNDKNHDLLXKTI-OAQYLSRUSA-N 428.879 5.360 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 500299210 RGRWHGMWURTLND-UHFFFAOYSA-N 441.560 5.166 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)o2)cc1 505346622 XGJRKGWNBUSNOL-GOSISDBHSA-N 426.259 5.032 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(OC2CCCC2)c(OC)c1 505961596 APFYFZLQCBUFQB-UHFFFAOYSA-N 434.989 5.629 30 20 IKED CC(C)c1ccc(-c2noc(CCC(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)n2)cc1 505965152 HAWAKRLAZSJUBG-LJQANCHMSA-N 442.441 5.192 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(OC2CCCCC2)CC1 508988845 XFRLOROQFDEJTE-UHFFFAOYSA-N 430.980 5.111 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@@H](c2ccccc2Cl)C1 509222432 CPHLZYXSEQDIBY-XMMPIXPASA-N 447.922 5.918 30 20 IKED C[C@H]1C[C@H](CCNC(=O)Nc2ccccc2S[C@H](C)CC#N)CN1Cc1ccccc1 510844351 QVSFPLCSFDPEPG-VWPQPMDRSA-N 436.625 5.503 30 20 IKED Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2cccc(OCc3cccc(C#N)c3)c2)o1 511106156 KZUPYLXVRWTGRF-SANMLTNESA-N 436.515 5.128 30 20 IKED CCOc1cc(NC(=O)C2(C#N)CCCCC2)c(OCC)cc1NC(=O)c1ccccc1 512971594 JADUBBFTJGFJCO-UHFFFAOYSA-N 435.524 5.149 30 20 IKED COc1ccc([C@H](CNC(=O)N(C)Cc2cccc(C#N)c2)c2c[nH]c3ccccc23)cc1 514437302 WWCHMJIVOLFJMI-DEOSSOPVSA-N 438.531 5.022 30 20 IKED Cc1cc(-c2cc(C(=O)N[C@H](C)c3ccc(C#N)cc3)c3cnn(C(C)C)c3n2)c(C)s1 514532169 PCMRQXGPYQIWOI-MRXNPFEDSA-N 443.576 5.720 30 20 IKED COc1ccc(NC(=O)[C@@H](Nc2cccc(OCCCC#N)c2)c2ccccc2)cc1Cl 515717643 QYVZHSQWAYPTLQ-DEOSSOPVSA-N 449.938 5.823 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1 515796422 RGBLRDQVVJIULE-RUZDIDTESA-N 429.495 5.840 30 20 IKED CC(C)[C@@H](Oc1ccccc1Br)C(=O)Nc1cccc(OCCCC#N)c1 516006947 HVNUPSFQBHHULB-HXUWFJFHSA-N 431.330 5.174 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccccc1SCCC#N 517442963 KJOZKHXJMZVVSE-UHFFFAOYSA-N 427.526 5.428 30 20 IKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 518905989 PBKIGYZYFYXRNP-UHFFFAOYSA-N 448.482 5.559 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Cn4cnc5ccccc54)cc3)cc2)nc1 521096636 TUKIYEFECKXKRZ-UHFFFAOYSA-N 445.482 5.396 30 20 IKED C[C@H](SCC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1nc2ccccc2[nH]1 521235557 NFCBJCDXZNXDHB-INIZCTEOSA-N 428.517 5.660 30 20 IKED N#Cc1cc(Oc2ccc(NCc3nc(-c4cccc(C(F)(F)F)c4)no3)cc2)ccn1 521322639 BJIYNINZSUIAOS-UHFFFAOYSA-N 437.381 5.426 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1csc(Br)c1 521722572 IWOBTAUALWKLCL-GFCCVEGCSA-N 441.441 5.777 30 20 IKED C=CCN(CC(F)(F)F)C(=O)c1ccc(COc2ccccc2Br)cc1 521808604 YODLGCDIAPFSCU-UHFFFAOYSA-N 428.248 5.219 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 524140793 QEWXEISRTRVRSL-UHFFFAOYSA-N 426.432 5.088 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N[C@@H]3C[C@@H]3c3ccccc3C(F)(F)F)o2)cc1 524379734 URDCDDWHCVIICY-UYAOXDASSA-N 426.394 5.035 30 20 IKED Cc1[nH]c2ccccc2c1C1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 524486647 JUYJKWNXGAVATL-IBGZPJMESA-N 432.543 5.130 30 20 IKED C=CCn1c(SCC(=O)N(C(C)C)C2CCC2)nnc1-c1ccc(Cl)cc1Cl 525378923 FXANLTQHYSZCKH-UHFFFAOYSA-N 439.412 5.320 30 20 IKED C[C@H](C(=O)N[C@H](C#N)c1ccc(Br)cc1)c1cccc(C(=O)c2ccccc2)c1 535584824 FLIJPMRPCZZRFU-KSFYIVLOSA-N 447.332 5.165 30 20 IKED Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 535935772 IKFHFUOCOJVMAJ-KKXNLOMOSA-N 440.613 5.539 30 20 IKED C=CCCC[C@@H](C)NC(=O)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 537188796 SKJZIAJMTIVBPS-QAPCUYQASA-N 447.377 5.014 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(C(F)F)c2Cl)cc1C 541650237 GEFSWAYPXZHNMK-UHFFFAOYSA-N 428.870 5.924 30 20 IKED CCCc1noc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1 542123260 LGZJGUMONLTZNV-CYBMUJFWSA-N 435.290 5.453 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1 543489045 MBGWJZMNOJBSOI-GMAHTHKFSA-N 432.520 5.499 30 20 IKED CN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 543884899 IWEYCXGQYJPCPT-UHFFFAOYSA-N 433.821 5.080 30 20 IKED CCCNC(=O)Nc1ccc(CC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 543917400 BAOFYQXRFSJKTR-LJQANCHMSA-N 440.547 5.177 30 20 IKED C=C(C)Cn1c(-c2sccc2C)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 549264500 DFXFLAKILFSPBM-SFHVURJKSA-N 446.523 5.070 30 20 IKED C=C(C)Cn1c(S[C@H](C)c2nnc(-c3ccccc3F)s2)nnc1-c1ccncc1 551087939 VDHKOUYXKBVYGL-CQSZACIVSA-N 438.557 5.427 30 20 IKED CC1(C(=O)NCc2ccc(-c3ccncc3)cc2)CCN(c2ccc(Cl)cc2C#N)CC1 553359408 DIPYCTDNIDXXBQ-UHFFFAOYSA-N 444.966 5.197 30 20 IKED C=CCC[C@@H](NC(=O)NCc1ccc(C[S@](C)=O)cc1)c1ccc(C(F)(F)F)cc1 553993879 XDQFLPQHTSLASZ-KEEVHDRGSA-N 438.515 5.091 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1csc(-c2ccccn2)n1 557561937 YFDRQUXBPSZINL-HNNXBMFYSA-N 440.619 5.471 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(c3ccc(O)cc3)CC2)cc1 557939453 XZYWBONPGJTSLQ-UHFFFAOYSA-N 428.557 5.576 30 20 IKED COc1ccc(-c2ccc(C)c(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c2)cn1 558846755 LMQPTZMPCIPWRL-UPVQGACJSA-N 426.520 5.369 30 20 IKED C=C(C)Cn1c(SCC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)nnc1-c1ccco1 563708449 PBOPCGNBTJEDDD-PWRODBHTSA-N 448.592 5.001 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(CC(=O)N[C@@H](CC)c2ccccc2)no1 578869712 ATHUJRYLSWXYFJ-SFHVURJKSA-N 445.441 5.130 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 603804272 SWSOSUSJZQRYHF-LJQANCHMSA-N 429.520 5.613 30 20 IKED CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1 603991824 CBRKEUOFOWYNGQ-CQSZACIVSA-N 447.585 5.463 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(CSc3ccccn3)c2)c1 608806192 TVURISWVXLPXKE-UHFFFAOYSA-N 441.512 5.670 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3cccc4cccnc34)cc2Cl)c1 609072833 JKEJOWLWWQVKGY-UHFFFAOYSA-N 427.891 5.520 30 20 IKED Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609110045 DKFAJFJWPVIUOK-UHFFFAOYSA-N 426.451 5.227 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1csc(-c2ccco2)n1 609388976 OSXXZCHYUMUEQG-CQSZACIVSA-N 429.592 5.669 30 20 IKED CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)c1C 609427577 LZBLSRYNXNGSAW-INIZCTEOSA-N 448.548 5.004 30 20 IKED Cc1ccc(C)c(Oc2ccc(CNC(=O)Nc3ccccc3S[C@H](C)CC#N)cn2)c1 609434806 RMCQISVOMXJIBW-LJQANCHMSA-N 446.576 6.207 30 20 IKED CC(C)c1c(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)cnn1-c1ccc(F)cc1 609508658 VXQSQRNJOZJBBG-UHFFFAOYSA-N 446.526 5.126 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3cccc(NC(=O)c4ccoc4)c3)c2)c1 609643627 QRYPTRGJTZSVHC-UHFFFAOYSA-N 437.455 5.235 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)c1 609714575 JRQGZFWGGLNNPB-YTTGMZPUSA-N 447.560 5.462 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@H](OCC(F)(F)F)C2)c1 609723605 LLCMAIYMMUNYME-SFHVURJKSA-N 438.833 5.187 30 20 IKED COc1cccc2c1OCC[C@@H]2NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 609724000 BUXSHUKBTSMHEJ-FQEVSTJZSA-N 434.879 5.266 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cccc(CSC2CCCCC2)c1 609726074 CLQZGTPDWGYYOF-UHFFFAOYSA-N 447.608 5.355 30 20 IKED C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 609927992 DABPOPDPEKRENU-IBGZPJMESA-N 447.966 6.080 30 20 IKED CC(C)(C)C[C@@H](NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(Cl)cc1 610350093 PXCLILUTEZNRBT-OAQYLSRUSA-N 439.991 5.052 30 20 IKED COc1ccc(CNc2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2C)cc1OCCCC#N 610910157 UPONIHLSMCQPBT-WOJBJXKFSA-N 449.595 5.416 30 20 IKED N#C[C@@H](C(=O)c1ccccc1OCc1cscn1)c1nc2cc(Cl)ccc2s1 613407103 IYLBFSWXXUPVMD-HNNXBMFYSA-N 425.922 5.475 30 20 IKED O=C(Nc1ccc(-c2ccccc2)cc1F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618541965 PNVZTUCNPKOJEW-GJZGRUSLSA-N 434.355 6.087 30 20 IKED CC(C)(C#N)c1ccc(CN[C@H](CO)c2ccc(Br)cc2C(F)(F)F)cc1 619516693 RMGHSWRWYFAMBI-GOSISDBHSA-N 441.291 5.092 30 20 IKED C=CCn1c(Cn2ccc3ccccc32)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 669806046 SDVMDIGOIGVMJO-ZEQKJWHPSA-N 441.579 5.071 30 20 IKED Cc1cc(Br)c(F)cc1NC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 681181201 NJQIGTPTHSSHKI-HTQZYQBOSA-N 437.153 5.101 30 20 IKED CCOc1cc(/C=C2/CCc3sccc3C2=O)ccc1OCC(=O)Nc1ccccc1 726892771 OOIKGWKBJMTBPF-JXAWBTAJSA-N 433.529 5.377 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 726940074 GILCAQBHOOURLV-SFHVURJKSA-N 429.480 5.032 30 20 IKED N#C[C@H](C(=O)CCCCCc1cccs1)c1nc(O)c2c3c(sc2n1)CCCC3 731545771 DVUCFVYDXWACIJ-MRXNPFEDSA-N 425.579 5.317 30 20 IKED N#CCOc1ccccc1C(=O)O[C@H](CC(F)(F)F)c1ccc(Br)cc1 731994122 MNNZOYULVQJUJE-MRXNPFEDSA-N 428.204 5.202 30 20 IKED Cc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 735165562 LUVHNDUQFZMPGK-MRXNPFEDSA-N 434.879 5.496 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NC[C@@H](O)c3cc(Cl)cc(Cl)c3)cc2)cc1 735699516 BAHHGVICOVMJET-JOCHJYFZSA-N 441.314 5.315 30 20 IKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCSC[C@@H]2c2ccccc2)c1=S 738070650 UXUZXSUGCSZMNQ-HXUWFJFHSA-N 426.586 5.154 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1cccc(C(F)(F)F)c1 739155509 QVOHYLCHQGWMDA-IAQYHMDHSA-N 426.797 5.339 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2C)cs1 739424977 MXDMXOJKEHKWIQ-POHAHGRESA-N 441.896 5.594 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)OC[C@H](C#N)Cc2ccc(F)cc2)c(Cl)c1 741113916 YDRRGGNOLAOZJF-HNNXBMFYSA-N 432.879 5.365 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)c1 741557084 NMMZZHYVMHRJBY-UHFFFAOYSA-N 430.573 5.191 30 20 IKED CCOc1ccc(C=NOCc2ncc(-c3ccccc3Br)o2)cc1OC 742351828 PTUDVVRYDMQSJB-UHFFFAOYSA-N 431.286 5.062 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1F 743237866 GYXOQLPJZJPAIN-UHFFFAOYSA-N 428.467 5.188 30 20 IKED C=CCOc1ccc(/C=C2\SC(=S)N([C@H]3CCOc4ccccc43)C2=O)cc1Cl 743283531 BYGCTDAFBASRKQ-IZQLPPHKSA-N 443.977 5.630 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(-c3noc(C4CC4)n3)c2)cc1 744032032 AZBUGHAMQVJVRU-BTYIYWSLSA-N 428.492 5.089 30 20 IKED Cc1ccc(Br)cc1C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 744034097 ZTNBNEPWBZNGOT-OAHLLOKOSA-N 426.097 5.026 30 20 IKED C=CC[C@@H](NC(=O)N[C@H](c1ccc(OC)cc1C)c1ccccc1Cl)c1ccncc1 745827485 KTDPSXAMSHTUBX-DNQXCXABSA-N 435.955 5.758 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2nc3ccccc3s2)cs1)c1ccc(F)cc1F 746013561 BTECYRNXGCOHIH-VQHVLOKHSA-N 441.484 5.612 30 20 IKED COc1ccc(/C=C2/SC(=S)N(c3cc(C)ccc3C)C2=O)cc1OCCCC#N 747473134 SOYHYSSUOSEFLH-KGENOOAVSA-N 438.574 5.400 30 20 IKED COc1ccc(C(=O)/C=C/c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)cc1NC(C)=O 752238277 QDUZWEDFQVZQNT-XYOKQWHBSA-N 432.432 5.250 30 20 IKED O=C1/C(=C\c2cnc(-c3ccncc3)s2)CC/C1=C\c1cnc(-c2ccncc2)s1 753134695 LQDYTBJLUVDQQD-MJZABRMRSA-N 428.542 5.554 30 20 IKED Cc1sc([C@H](C)NC(=O)NCc2ccc(OCC#N)cc2)nc1-c1ccc(Cl)cc1 755149893 RJGMZWMSBWZRGP-AWEZNQCLSA-N 440.956 5.235 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 763469568 HOFMIVOSPOHOHU-BRWVUGGUSA-N 427.570 5.146 30 20 IKED CC1(C)CCCN(Cn2nc(-c3cccnc3)n(-c3ccc(Cl)cc3)c2=S)[C@@H]1C#N 766110110 CTRIKTZEBZIQEA-LJQANCHMSA-N 438.988 5.090 30 20 IKED N#CCOc1ccc(CN[C@H](Cc2ccccc2F)c2ccccc2Br)cc1 772957722 GPIGICPAAACCJA-HSZRJFAPSA-N 439.328 5.564 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H]3C[C@@H](O)c3ccc(F)cc3)c2)cc1 773268549 HAHLUSPIYFHENP-WIOPSUGQSA-N 445.494 5.610 30 20 IKED CC(C)N1CC[C@@H](NC(=O)c2ccccc2SCC#N)[C@@H]1c1ccc(Cl)c(F)c1 777420368 GRJSRSCNUKOZEA-CTNGQTDRSA-N 431.964 5.049 30 20 IKED CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 778619868 ZRUDICATXUQFHJ-GUYCJALGSA-N 447.507 5.054 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4ccccc4Cl)CCOCC3)n2)cc1 779194999 SAMJKXHHUNVUOW-GOSISDBHSA-N 436.964 5.697 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)OC(C)(C)C 782772085 GSZWMRSAIACIFE-OKZBNKHCSA-N 444.601 5.087 30 20 IKED N#Cc1cnc(C(=O)Nc2ccc(Cl)cc2-c2cccc(Cl)c2Cl)c(Cl)c1 787858159 LVOUFXHMJCIXRV-UHFFFAOYSA-N 437.113 6.486 30 20 IKED N#C[C@@H](C(=O)CO[C@H]1CCCc2ccccc21)C(=O)Nc1ccccc1Oc1ccccc1 797548233 DJPMUGQPNGAUIU-DHLKQENFSA-N 440.499 5.220 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(Oc2ccccc2)CC1 802559971 IVQYOBCBLPJJBN-IBGZPJMESA-N 436.531 5.181 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 812189506 BJYJQLSSIJASNM-WEMPKCCASA-N 447.410 5.120 30 20 IKED C=CCn1c(-c2cccc(OC)c2)nn(CN(C)[C@H]2CCCC[C@H]2C(F)(F)F)c1=S 812298052 GWYGKNDHYIVKPA-MSOLQXFVSA-N 440.535 5.286 30 20 IKED C#C[C@H](NC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F)c1ccc(F)cc1 812315705 YNTGHTYHMVXLTE-SFHVURJKSA-N 445.372 5.186 30 20 IKED COc1ccc(-c2nc(SCCSc3ccc(Cl)cc3)nc(O)c2C#N)cc1 824953464 JZKYBPQPQVCPAS-UHFFFAOYSA-N 429.954 5.267 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2cc3cnn(C(C)C)c3nc2Cl)S1 873882033 WQMFIQGOHJPWHU-CXUHLZMHSA-N 425.945 5.174 30 20 IKED O=C(c1ccc(OC(F)F)c(Cl)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 883978922 XZICSMIHGVRDHX-RKDXNWHRSA-N 425.703 5.144 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2nc3ccccc3[nH]2)cs1 915915705 YYQAULNOWMANMZ-UHFFFAOYSA-N 444.442 5.169 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)[C@H](C)Sc1ccccc1Cl 916899667 LAJJJHWSZKZEJA-STQMWFEESA-N 437.348 5.139 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1 916900103 MMZXYAUIJKXCOF-YJBOKZPZSA-N 442.943 5.069 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 916900609 QSZGENDINZWGNF-UXHICEINSA-N 436.621 5.985 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCCOc1ccc(Cl)c(C)c1 916904243 ZBHMVWQEUZSATD-FQEVSTJZSA-N 426.944 5.280 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(Br)cc1 916905768 PMCTYDISCWTUCE-SFHVURJKSA-N 435.277 5.203 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3cccc(F)c3)n2)cc1 916953937 FIHXYSPPDBHYIO-YCRPNKLZSA-N 435.524 5.353 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 916956121 XUSBTLFNXVJSAU-MHECFPHRSA-N 439.515 5.414 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)n2)cc1 916977280 OYIAJWMKQIXCTF-APWZRJJASA-N 435.936 5.001 30 20 IKED N#C[C@H](C(=O)[C@H](Oc1ccccc1Br)c1ccccc1)c1nc2ccccc2o1 917510123 OZKRRFGIFYCTHW-OPAMFIHVSA-N 447.288 5.587 30 20 IKED COc1ccc(C(=O)/C=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1F 917613992 RYHDVDOWQJMWPK-YHYXMXQVSA-N 437.423 5.226 30 20 IKED N#C[C@@H](COC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)Cc1ccc(F)cc1 920877082 LMRLZSPVNDHPAL-HNNXBMFYSA-N 442.899 5.332 30 20 IKED CC(=O)Nc1cc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)cc1F 921159203 WYOXVHXRVIINNL-UHFFFAOYSA-N 426.263 5.213 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(OC(F)F)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F 921261632 JCDWPDLUNDVEDU-DAXSKMNVSA-N 447.312 5.042 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CCc3cc(F)ccn3)CCC2)cc1 1786102585 QLNWGLGICNAQRL-UHFFFAOYSA-N 435.543 5.056 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5cnccc45)cc3)CCC2)cc1 1789328087 KYXYSOFRDNUMKC-UHFFFAOYSA-N 446.510 5.168 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3cc4ccccc4n3C)CCC2)cc1 1791244118 MJTNQYPUKJRQQJ-LJQANCHMSA-N 429.564 5.067 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CCCc3cccnc3)cc2)CCC1 1791949425 VMBFUAGVTXEIFQ-UHFFFAOYSA-N 431.580 5.307 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccccc3NC(C)=O)cc2)CCC1 1792132774 HTMIKICBIGEWMK-UHFFFAOYSA-N 447.579 5.385 30 20 IKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CCC(c3ccc(Cl)cc3)CC1)C2 1801634692 SYFQYGJSNHDIPZ-WWQXZPIASA-N 443.031 5.464 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)[nH]n1 1819556586 GNBLZCYMVXMUIY-JKBKZWBZSA-N 426.605 5.221 30 20 IKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2csc3c2CCCC3)CC1 1828572622 RZVRITNDFUGTBC-HSZRJFAPSA-N 440.653 5.054 30 20 IKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2cccc(O)c2)cc1 10760928 AMKICXPPALSMOB-UHFFFAOYSA-O 443.951 5.647 30 20 IKED O=C(/C(=C(\S)Nc1cccc2ccccc12)[n+]1cccc(O)c1)c1cccc(Cl)c1 11125649 STRLNRHYXSQFJG-UHFFFAOYSA-O 433.940 5.537 30 20 IKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2cccc(C)c2)cc1 11252123 NOFZYXDTBAOHLQ-UHFFFAOYSA-O 447.580 5.127 30 20 IKED C[C@@H](OC(=O)/C=C\c1ccc2ccccc2n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 213736695 IPNUVCYZJPCZHG-OMACXJQVSA-N 445.544 5.020 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O 430436043 GWBAQEXSPWKDSG-UHFFFAOYSA-N 437.499 5.244 30 20 IKED COc1cc([C@H](C)NC(=O)N[C@@H](CCCC#N)c2ccccc2)ccc1OC1CCCC1 431819250 YMWDHOXSWICOJT-CVDCTZTESA-N 435.568 5.812 30 20 IKED N#CCCC[C@@H](NC(=O)NCCCc1ccc(Br)cc1F)c1ccccc1 431959638 WCXFAAXGKSHFCS-HXUWFJFHSA-N 432.337 5.255 30 20 IKED CC(C)Oc1ccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1C#N 435388727 GYHIHTQSUNUQLK-MRXNPFEDSA-N 445.479 5.074 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 437882678 ROJZGBFKYRXBMG-RXVVDRJESA-N 448.910 5.489 30 20 IKED CN(Cc1cccnc1)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 438511590 GODMFLGUSZAISP-UHFFFAOYSA-N 426.398 5.428 30 20 IKED Cc1cc(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)ccc1C(F)(F)F 439389280 UCBNKVPEEJLURK-UHFFFAOYSA-N 439.393 5.255 30 20 IKED C[C@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)c1nc(Cc2ccc(Cl)cc2)no1 439602347 FYFZNQQTPYMYSN-INIZCTEOSA-N 430.895 6.151 30 20 IKED CCNC(=O)Nc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1C 447651945 JJDGGXAIMNBVAY-UHFFFAOYSA-N 444.560 5.553 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N(C)[C@H](C)c1nc2ccccc2s1 460796160 FHOBMUKDSAOKNV-GOSISDBHSA-N 433.581 5.378 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC(c3noc(C4CC4)n3)CC2)c1 462914089 PRROPIGUTJWQQC-UHFFFAOYSA-N 448.910 5.284 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 463548649 VNZWKTJJHRHVEV-CQSZACIVSA-N 437.858 5.009 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cnn1-c1cccc(C(F)(F)F)c1 464414035 ZIRZGAUBQQADPN-HNNXBMFYSA-N 438.331 5.103 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)s2)cc1 464463105 BCCDBTPCJWQRGM-MRXNPFEDSA-N 431.439 5.421 30 20 IKED COc1cc([C@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)ccc1OC(F)F 469173455 WSEUBYMSWHSLPX-HNNXBMFYSA-N 429.467 5.053 30 20 IKED Cc1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(Br)s1 471206707 HBWXEEJHFBZDIX-UHFFFAOYSA-N 441.350 5.716 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@]3(C2)OCc2ccccc23)cc1Cl 473675026 JYSWFVLZTDVFDS-ATIYNZHBSA-N 443.934 5.659 30 20 IKED COc1cc([C@@H](C)NC(=O)C[C@H](CC#N)c2ccccc2)ccc1OCc1ccccc1 474953034 LGNQRNFVPPVTEI-YKSBVNFPSA-N 428.532 5.539 30 20 IKED Cc1ccc(N(C(=O)CSc2ccc(C#N)cc2)c2nc3ccccc3s2)c(C)c1 483359414 ZRDWDBXAKKBENJ-UHFFFAOYSA-N 429.570 6.242 30 20 IKED C=CCN(C(=O)c1cc(OC)n(C)n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 483933766 PBDDEYPAYQDZCJ-UHFFFAOYSA-N 430.533 5.052 30 20 IKED C=CCn1c(SCc2nc(-c3ccc(F)c(F)c3)no2)nnc1-c1cccc(C)c1 486636544 NCSABIKKZGZISI-UHFFFAOYSA-N 425.464 5.060 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cc1Cl 487061455 NZWPDTJILZTANI-FXAWDEMLSA-N 447.897 5.126 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1ccc(F)cc1)C(F)(F)F 488228644 GLQXZWYAPMCJRH-YJYMSZOUSA-N 425.451 5.052 30 20 IKED Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3SC[C@@H](C)C#N)o2)c(C)c1 488801932 QLBQCUBULACUKH-HNNXBMFYSA-N 438.578 5.336 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1cccc(Cl)c1 489648023 QKEPPDMXGSOXKW-HNNXBMFYSA-N 442.972 5.296 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)c1 492631484 POTJVLDHPDRBOU-UHFFFAOYSA-N 435.842 5.280 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1oc2ccccc2c1CSCc1ccccc1 494165436 WPMNFXWAFBMMPJ-UHFFFAOYSA-N 428.513 5.999 30 20 IKED C[S@](=O)c1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1F 495333845 NVMRJOYBQMITOY-LJAQVGFWSA-N 428.872 5.133 30 20 IKED Cc1c(C#N)c(NC(=O)CN2CCC(OC3CCCCC3)CC2)n(C2CCCCC2)c1C 497386057 JZLUPXAKWJPTIP-UHFFFAOYSA-N 440.632 5.234 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1S[C@H](c1ccccc1)c1ccccc1C 497928796 XJUOAVQACVCVME-RUZDIDTESA-N 432.637 5.683 30 20 IKED COCCOc1ccc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(C)c1 502318718 NVTBPQMYBGFZRO-UHFFFAOYSA-N 445.519 5.309 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc(C)c1OCc1cccnc1 503451052 VKLKSUQWFYLVBG-LJQANCHMSA-N 446.457 5.512 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccnc(Oc2ccccc2F)c1 503531725 CUARAGKQTHRVMZ-UHFFFAOYSA-N 437.519 5.078 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3c(F)cccc3Oc3ccccc3)CC2)cc1 504151422 HLBXSTZKYWBVTR-UHFFFAOYSA-N 431.467 5.565 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3ccc(-c4cnc(C5CC5)o4)cc3)CC2)c(F)c1 505642760 XDLRDWNSJQANIO-UHFFFAOYSA-N 430.483 5.085 30 20 IKED CC(=O)Nc1ccc(F)c(NC(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1 506277015 IITVQCLAVIWKEX-HNNXBMFYSA-N 437.315 5.228 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)c1 507716078 GCVONXOMFGRYBS-UHFFFAOYSA-N 432.730 5.274 30 20 IKED C=CCn1c(-c2ccccc2C)nnc1N1CCC(N(CCC)C(=O)c2cccs2)CC1 508876002 WHVGSZMOCOEXAF-UHFFFAOYSA-N 449.624 5.022 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@H]3c3cccc(Cl)c3)c2)c1 511529122 AMWLWZHUDSJUCF-QHCPKHFHSA-N 444.922 5.833 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 513621350 FLBJLLUUGQBZLR-UHFFFAOYSA-N 446.432 5.360 30 20 IKED C[C@H](C#N)CN(C)CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 514100273 UYUUQOYUWDIKLY-QGZVFWFLSA-N 438.984 5.088 30 20 IKED NC(=O)c1ccc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)cc1 514627408 HVFBPKARUTUHIE-CQSZACIVSA-N 444.297 5.216 30 20 IKED C=CCn1c(SCCOC(c2ccccc2)c2ccccc2)nnc1-c1cccnc1 514723232 QMQKMMDINPOPHR-UHFFFAOYSA-N 428.561 5.424 30 20 IKED CC(C)(CCC#N)CNC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 516207555 YVOXKCXDVKQSGT-UHFFFAOYSA-N 441.000 5.276 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 517600346 RLBILCLPTITBAO-KXBFYZLASA-N 448.464 5.088 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCCN(Cc4ccc(F)cc4)CC3)c2)cc1 517902648 HOTSTJMAFZQNFU-UHFFFAOYSA-N 444.510 5.229 30 20 IKED CCCOc1ccc(-c2nc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cs2)cc1 519139531 SKUGOOLEPIWXDX-UHFFFAOYSA-N 447.560 5.154 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1cc2c(cc1Cl)OCCO2 520813440 GPGQVWTUWAMXCX-ZDUSSCGKSA-N 434.970 5.236 30 20 IKED Cc1cccnc1[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(C)C 523766698 RXZHYIIIJRBGEQ-HSZRJFAPSA-N 432.499 5.499 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CCCCC3)c1 525517822 GYMKAODPQQHUOV-UHFFFAOYSA-N 429.973 5.779 30 20 IKED Cc1cc(Br)cc2cc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)oc12 526109672 GDOTWVRRBZIQSG-HNNXBMFYSA-N 438.306 5.512 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@H]1c1nc2ccccc2n1C 533525303 YZOOVUFVDSYKCJ-GCJKJVERSA-N 447.608 5.133 30 20 IKED N#CCCn1cc(CNc2cccc(C(=O)NCc3ccccc3)c2)c(-c2ccccc2)n1 534235084 CYSFWUHSKUYSOR-UHFFFAOYSA-N 435.531 5.006 30 20 IKED Cc1cc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)nn1-c1ccc(Cl)c(Cl)c1 537442084 KQWCKNVLPXKWQV-UHFFFAOYSA-N 437.330 5.289 30 20 IKED COc1ccccc1COC1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 538783487 RSDNCPGXPHXXCH-GOSISDBHSA-N 439.581 5.303 30 20 IKED C[C@H](NC(=O)Nc1ccccc1O[C@H]1CCOC1)c1ccc(-c2cccc(C#N)c2)cc1 541096738 FJXGTRCIIHJHKS-MBSDFSHPSA-N 427.504 5.276 30 20 IKED CC(=O)N1CCc2c(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)cccc21 546689997 GVVDIFFUAQEYQD-UHFFFAOYSA-N 426.476 5.212 30 20 IKED O=C(Nc1ncc(C(F)(F)F)s1)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 549002513 DYHYBRMQSAKNEU-SECBINFHSA-N 435.296 5.188 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(OCC(C)C)CC1 549248257 MQMIMCXALTXWLU-SFHVURJKSA-N 432.996 5.289 30 20 IKED CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1 549457153 YJGGHMYSCADIGY-UHFFFAOYSA-N 432.915 5.015 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)Nc2ccc(Sc3ccccc3)c(Cl)c2)CC1 558624775 UUSLKWXLVOFYAJ-UHFFFAOYSA-N 448.979 5.975 30 20 IKED Cn1nccc1[C@@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 558746254 MKTYZTFZKKSTOJ-WIYYLYMNSA-N 433.943 5.140 30 20 IKED C=CCC[C@@H](N[C@H]1CCCc2ccc(S(N)(=O)=O)cc21)c1ccc(C(F)(F)F)cc1 570323469 NPOJWVSQABKJFA-RTWAWAEBSA-N 438.515 5.027 30 20 IKED Cc1ccccc1COc1cccc(NC(=O)C(=O)N[C@@H](CCCC#N)c2ccccc2)c1 571707039 WIQOZGNPFDLGKM-VWLOTQADSA-N 441.531 5.064 30 20 IKED COc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1[N+](=O)[O-] 572928595 WTWYQWNKGAGZCI-ZDUSSCGKSA-N 448.287 5.524 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)CCSc3cccc(Cl)c3)ccc21 574310700 ULZHTGLXOXPSOF-UHFFFAOYSA-N 427.957 5.044 30 20 IKED C[C@@H](Oc1ccccc1NCC(=O)N(CCC#N)c1cccc(Cl)c1)C(F)(F)F 582451688 VKSRVDWIVXDLHB-CQSZACIVSA-N 425.838 5.028 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)c(C)c2c1 597791841 PEMXVRPMEWTNBO-LJQANCHMSA-N 428.410 5.276 30 20 IKED Cc1sc(NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)c(C#N)c1C 603750209 KSFDQEQBGSMBNB-UHFFFAOYSA-N 428.311 5.439 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 604196876 BIHCIQLQAUKYEB-NRFANRHFSA-N 437.883 5.099 30 20 IKED N#Cc1ccccc1Oc1ccc(NCc2nc(O)c3ccc(C(F)(F)F)cc3n2)cc1 604403752 MKUKWRGWCDUESM-UHFFFAOYSA-N 436.393 5.630 30 20 IKED O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 605032655 ITJZNJINBDLCPS-UHFFFAOYSA-N 438.318 5.980 30 20 IKED CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cc4ccccc4n3CC#N)cc2)cc1 609159669 QQQBLOBHEQHRKU-UHFFFAOYSA-N 438.487 5.068 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccc(NC(=O)C2CC2)cc1 609297421 PCEAAUIJCNGAHP-MRXNPFEDSA-N 443.478 5.329 30 20 IKED CCN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccc(Br)cn1 609298606 DEXGVBANIANIRQ-UHFFFAOYSA-N 440.272 5.314 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 609377085 OJVRUBOVSHXBRT-IYSOMAHNSA-N 447.604 5.350 30 20 IKED Cc1ccc(NC(=O)[C@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(Cl)c1 609387228 UDUKBBNYJJPRCJ-ZDUSSCGKSA-N 441.906 6.112 30 20 IKED N#Cc1ccccc1COc1cccc(CNC[C@H]2CCN(c3ccc(F)c(F)c3)C2)c1 609433258 OUUAHRDGFSANMA-HXUWFJFHSA-N 433.502 5.032 30 20 IKED CC[C@@H](c1ccccc1)N(CC(C)C)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 609509708 LTUKFQXMSJXBCA-QHCPKHFHSA-N 426.582 5.014 30 20 IKED N#C[C@@H](NC(=O)c1sc2cccc(Cl)c2c1Cl)c1ccccc1Br 609590857 GONNAWPZUGOPTE-GFCCVEGCSA-N 440.149 5.965 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2ccc(N3CCc4sccc4C3)nc2)c1 609600961 GYJLZXZIGHUKEF-UHFFFAOYSA-N 433.537 5.032 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3OC(F)(F)F)cn2)c1 610152202 UOZLFNFBENBYQI-RBUKOAKNSA-N 439.393 5.386 30 20 IKED COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1ccccc1SCCC#N 610156913 FYKVLFGGQPZMAJ-QGZVFWFLSA-N 447.398 5.289 30 20 IKED Cc1c(C#N)cccc1NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 610912606 ABSHSYHSBNPRQR-UHFFFAOYSA-N 438.331 5.342 30 20 IKED CC(C)c1nc([C@H]2CCCCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)no1 611530603 WORYBUXPGRVCQW-HXUWFJFHSA-N 446.511 5.401 30 20 IKED Cc1nc(-c2ccccc2)sc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613403153 BTZKSRPWVITRBD-AWEZNQCLSA-N 443.475 6.237 30 20 IKED N#C[C@@H](C(=O)c1ccc(CN2CCCCC2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 613404458 NQYJSYFGSUSYEM-SFHVURJKSA-N 443.494 5.791 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)C2CCCCC2)nnc1-c1ccco1 614012832 WZXJYVPRSOPLIL-QFIPXVFZSA-N 436.581 5.254 30 20 IKED Cc1ccc(C)c(C(=O)CCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 614182943 PHFGKYVOPBXIOV-UHFFFAOYSA-N 426.516 5.550 30 20 IKED N#C[C@@H](C(=O)c1cccc(NC(=O)NC2CC2)c1)c1nc2cc(C(F)(F)F)ccc2s1 614470936 UOUBQGAKKAIUHW-HNNXBMFYSA-N 444.438 5.089 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N(C)Cc2cccc(OC(F)(F)F)c2)c1C(F)F 676189398 YFVDHGKGSDWQAO-UHFFFAOYSA-N 445.310 5.030 30 20 IKED O=C(N[C@H](C1CCCCC1)C(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 681495057 FSPCUHTXHCLETG-IJLUTSLNSA-N 428.339 5.270 30 20 IKED CCSc1cccc(F)c1NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 685699239 MHAVONJBVSWLFQ-UWVGGRQHSA-N 432.405 5.969 30 20 IKED C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1cccc(C#N)c1 727637264 VGYCSGPQRFTNJL-RDTXWAMCSA-N 431.319 5.022 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)Nc1ccc(F)c(Cl)c1 727978496 GXVJUYFJYCNIEM-UHFFFAOYSA-N 425.916 6.047 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@@H](C)C(=O)Nc1ccc(F)cc1Cl 728063112 WGCBEXYTBWHFHB-INIZCTEOSA-N 437.902 5.677 30 20 IKED C[C@@H]1CN(c2ccc(NC(=O)N[C@H](C)c3ccc(C#N)cc3)cc2C(F)(F)F)C[C@@H](C)O1 728130665 RWTBXRCAFQVYQB-BZUAXINKSA-N 446.473 5.073 30 20 IKED C[C@H](C#N)Oc1ccc(/C=C\C(=O)c2ccc(Br)cc2Br)cc1 728694821 KPRPUAPNRSAGEV-TWLAMCEISA-N 435.115 5.399 30 20 IKED CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 730422302 VWADOGIISBCEIG-SJLPKXTDSA-N 443.931 5.110 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(C2CC2)C1=O)Nc1ccc(SC(F)F)cc1 730488368 LTBJAFJYAYJYMS-KRWDZBQOSA-N 447.532 5.124 30 20 IKED C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(OCC#N)cc1 731961036 JUEZSYJFYBBQPG-SFHVURJKSA-N 438.980 5.506 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(=O)n(Cc4ccccc4)c3)cc2)cc1 731974259 FGUKFXVWUKEICC-UHFFFAOYSA-N 435.483 5.007 30 20 IKED N#CCOc1ccc(CC(=O)N(Cc2ccc(F)cc2)c2nc3ccccc3s2)cc1 731984076 XUOZJAURPMBFJK-UHFFFAOYSA-N 431.492 5.114 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)ccc1OC 733617345 GTLPWSLDMMUJRZ-NRFANRHFSA-N 445.519 5.799 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(SC(F)F)cc2)ccc1O[C@H](C)C(=O)N(C)C 734982041 VTRGLVXHMDXIPP-KXCGHJCSSA-N 449.519 5.152 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccccc1CN(CC)C(=O)OC(C)(C)C 737022060 PIVYZPGAMRZGLI-UHFFFAOYSA-N 441.547 5.803 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@H](CCO)c3cccs3)cc2Cl)c1 741065638 IKIXFEZQRBWSOP-LJQANCHMSA-N 441.940 5.097 30 20 IKED O=C(/C=C/c1ccc(OCc2ccncc2)cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 741448329 UNZRWDHBOYURBZ-VGOFMYFVSA-N 447.556 5.273 30 20 IKED N#CCOc1cccc(NC(=O)c2cccc(Sc3cccc(Br)c3)n2)c1 741542407 SLUUZLFESFDUEL-UHFFFAOYSA-N 440.322 5.150 30 20 IKED CCO[C@@H]1C[C@@H](/N=C/c2cc(Br)cc(Br)c2O)C12CCCC2 743044882 SVQXBTFXTNDNHU-KJACSUPHSA-N 431.168 5.074 30 20 IKED CCc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)o2)cc1 745596310 DVEIQRQGXBSWQY-QGZVFWFLSA-N 448.544 5.556 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CN2CCC(c3nc(C(C)(C)C)cs3)CC2)c1C 750063118 WYEDGSCMVATCGE-UHFFFAOYSA-N 438.641 5.184 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCC[C@H](O)c3ccccc3)cc2Cl)c1 750595527 AXANLVWENPJNBM-QFIPXVFZSA-N 435.911 5.036 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)cc1 758036082 YKQLDQJILBSUNI-GOSISDBHSA-N 436.265 5.265 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)C[C@@H](O)c1ccccc1 758600644 BUTLJZRHUGYTIK-KBMIEXCESA-N 429.520 5.079 30 20 IKED C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(OCC#N)c1 760353841 SWBKSLPENHGACJ-GOSISDBHSA-N 438.980 5.506 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1csc(-c2cccs2)n1 764750964 UMRDDVIKSLCHAM-UHFFFAOYSA-N 425.322 5.199 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CC[C@@H](c4ccc(C(F)(F)F)cc4)C3)cc2)nc1 767191240 ROIAEBQGRYQFIB-LJQANCHMSA-N 437.421 5.394 30 20 IKED Fc1c(F)c(F)c(CNC2(c3cccc(C(F)(F)F)c3)CCOCC2)c(F)c1F 773913605 OFOAIEPGMMHRSP-UHFFFAOYSA-N 425.319 5.196 30 20 IKED COC1CCN(c2ccc(N[C@H]3CCCc4cc(C#N)ccc43)cc2C(F)(F)F)CC1 777680015 KYBJYNUXNRBPDZ-QFIPXVFZSA-N 429.486 5.682 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C=NN[C@H]1CCOC(C)(C)C1 780252466 JEZQZDVWFANOGS-HNNXBMFYSA-N 429.779 5.081 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c(F)ccc(Br)c2F)cc1 782548055 ZSPDNLIVMJQHNL-MRXNPFEDSA-N 427.248 5.635 30 20 IKED CC(C)(C)OC(=O)N1CCc2ccc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)cc2CC1 789335206 GKPWWAPHSKCFJX-JOCHJYFZSA-N 441.531 5.061 30 20 IKED C=CCn1c(-c2ccccc2C)nn(CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1=S 795693700 MCPRSZUBQRXIHI-SGNDLWITSA-N 446.620 5.038 30 20 IKED CCNc1ccc(C#N)cc1NC(=O)CNc1nc(C)nc2sc(-c3ccccc3)cc12 797173714 YYEZFBCAPJMSJS-UHFFFAOYSA-N 442.548 5.021 30 20 IKED CC(C)(CCC#N)COC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 798877458 IPACDROBCQQHLB-UABBMWSGSA-N 439.440 5.982 30 20 IKED CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)OCC(C)(C)CCC#N)cc1 798877574 RKEHFCOHWLKWTH-UHFFFAOYSA-N 431.579 5.118 30 20 IKED CCc1cc(C#N)ccc1OC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 799442710 VRNCECAQJLIBFS-UHFFFAOYSA-N 430.291 5.406 30 20 IKED COCCCOc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 806200627 IOTKIWDMILHHIL-VWLOTQADSA-N 429.520 5.079 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)s1 810534731 BOWJQEFOHOUNQK-LBPRGKRZSA-N 447.969 5.873 30 20 IKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(C2CCCC2)C1=O)Nc1ccccc1F 838545474 SDBQGZKREBQYRJ-LJQANCHMSA-N 447.482 5.007 30 20 IKED O=C(/C(=C/c1ccc(-n2cncn2)c(F)c1)c1ccccc1)c1nc2ccccc2s1 844248281 BMDZIDFPURONLY-LDADJPATSA-N 426.476 5.440 30 20 IKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(CCC(C)C)C1=O 916207423 XOHPMGWHEBJOPZ-OAQYLSRUSA-N 439.581 5.010 30 20 IKED Sc1nnc([C@H]2COc3ccccc3O2)n1N=Cc1c2ccccc2cc2ccccc12 916321422 YXPBOMALUDZJDL-HSZRJFAPSA-N 438.512 5.268 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1 916679514 QBVIVGCIDDPVDW-ZCYQVOJMSA-N 434.543 6.235 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(-c2ccccc2Cl)o1 916927032 CWXPAGFCAOICDU-CYBMUJFWSA-N 433.678 5.868 30 20 IKED N#C[C@@H](C(=O)CN1CCC[C@@H]1c1ccc(Br)cc1)c1nc2ccccc2s1 917205115 GHBOVKIVBARTPI-FUHWJXTLSA-N 440.366 5.072 30 20 IKED Cc1cc(S[C@H](C)C(=O)OCc2nc3ccccc3o2)n2c(nc3ccccc32)c1C#N 917224978 DPKDIRKEFFYNGN-OAHLLOKOSA-N 442.500 5.033 30 20 IKED Cn1ccnc1COc1ccc(C(=O)/C=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 917517476 GPMNULPOGDEKHA-LUAWRHEFSA-N 429.432 5.063 30 20 IKED COc1ccc(OCc2nc(/C=C\C(=O)c3cccc(Br)c3)cs2)cc1 920063067 XKFZMIFHNJBWPW-YHYXMXQVSA-N 430.323 5.389 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4cccc(Cl)c4)CCOCC3)n2)cc1 920109503 HCQUJRSTMOTKJN-FQEVSTJZSA-N 436.964 5.697 30 20 IKED COc1ccc2c(c1)CCC[C@@H]2CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 920112830 KZOUPWKCCGQTCE-RDTXWAMCSA-N 444.478 6.010 30 20 IKED Cc1ccc([C@@H](C)NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)s1 920744215 BIUUCTYJGVIOKI-MRXNPFEDSA-N 435.574 5.150 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)C(=O)CC4)CCC2)cc1 1789458417 ZIJVOOGSRQGSRX-QHCPKHFHSA-N 442.559 5.332 30 20 IKED C[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1)c1ccccc1 1792313521 ZMRQKSVPXAFYEU-HXUWFJFHSA-N 437.543 5.304 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)sc1Cl)C2 1792572680 BFQPGHLAWKCQGK-BTTYYORXSA-N 429.413 5.299 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1cc(Cl)ccc1Cl)C2 1798337605 CZJDQLKRHYFPEL-WOZUAGRISA-N 449.422 5.333 30 20 IKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc4c2oc2ccccc24)C3)cc1 1799668134 BYKNOXHNLSKGJT-WKCHPHFGSA-N 449.510 5.023 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(CCC)cc2)[C@@H]1c1cccnc1 1810501505 AWWKADPHJIPPBC-LOSJGSFVSA-N 447.623 5.346 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2OCC)[nH]n1 1819555720 XSDUWBANGXBGOU-HXUWFJFHSA-N 438.572 5.107 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC2CCC(C)(C)CC2)n[nH]1 1820979509 NVLIGTOMIUIZHI-SFHVURJKSA-N 436.547 5.220 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)ccc2C)CC1 1830619896 FFGBQIHGGLXJGW-VWLOTQADSA-N 438.612 5.005 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832629356 OBSMUQZTQVCUER-HFZDXXHNSA-N 447.623 5.315 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)ccc(Cl)c2F)CC1 1832687525 CPNYYPIRGOUGRU-HNAYVOBHSA-N 438.946 5.064 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1F)=C(/S)Nc1ccc(C)cc1C 10168755 SURTTZOXHKMEJF-UHFFFAOYSA-O 425.524 5.482 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2cccc(Br)c2)n1 18535756 UOYQXWNNMZQNDZ-JTQLQIEISA-N 444.276 5.162 30 20 IKED N#Cc1cccc(CSc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)c1 21341867 IZWPOYAEWPIOCA-UHFFFAOYSA-N 448.349 5.256 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(C(=O)c2ccccc2)CC1 26129932 UXUYCXAZASJLEI-UHFFFAOYSA-N 426.541 5.445 30 20 IKED CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)[C@H](C)Oc2ccccc2C#N)c1 29981643 OJSMZBSIWAJAAA-UXHICEINSA-N 441.531 5.074 30 20 IKED Cc1cccc(N2CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)c1 57679493 LLJPQZIYDBNIKP-UHFFFAOYSA-N 427.573 5.121 30 20 IKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 58559712 XXWFAMBZDBRVEM-GFCCVEGCSA-N 434.443 5.334 30 20 IKED CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)c2cccs2)cc1 61973236 UZYGHXQDJKCUEO-OAQYLSRUSA-N 437.952 5.241 30 20 IKED COc1cc(/C=C2/CCc3nc(-c4ccccc4)sc3C2=O)cc(Br)c1O 214954579 CZGBMAHLDMIOIR-ZROIWOOFSA-N 442.334 5.499 30 20 IKED C[C@H](Nc1snc(Cl)c1C#N)c1ccc(CNc2snc(Cl)c2C#N)cc1 302181273 RVWQGQSCEVZDRG-VIFPVBQESA-N 435.365 5.435 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1cccc(COC2CCCCC2)c1)c1ccccc1 303286501 AGBFKULXOREWKP-UHFFFAOYSA-N 433.552 5.201 30 20 IKED N#C[C@H](NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1cccc(Cl)c1Cl 303421402 YMAXPBHPFLNPKG-INIZCTEOSA-N 449.725 5.401 30 20 IKED C=CC[C@H](C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H](CC=C)c2ccccc2)CC1)c1ccccc1 427645007 LRWVWNJHWMHDMB-CQJMVLFOSA-N 430.592 5.250 30 20 IKED Cc1cc(NC(=O)c2cccc(C(F)(F)F)c2F)n(-c2ccc(C(F)(F)F)cn2)n1 429783962 HXIYIFNAKKZBSG-UHFFFAOYSA-N 432.299 5.005 30 20 IKED N#CCCC[C@@H](NC(=O)NCc1cc2cc(Br)ccc2[nH]1)c1ccccc1 431472168 PNLWEJNELIVRLC-LJQANCHMSA-N 425.330 5.165 30 20 IKED C[C@H](NC(=O)C1CCC(NC(=O)C(C)(C)C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 433690940 QPXDHHLFXNPYJR-IYHNFFKESA-N 431.580 5.124 30 20 IKED CCc1cccc2c(C3CCN(Cc4cn(CCC#N)nc4-c4ccncc4)CC3)c[nH]c12 435135389 PCQRAOKYMUUCNM-UHFFFAOYSA-N 438.579 5.282 30 20 IKED N#Cc1cccc(C2(C(=O)Nc3nnc(SCc4ccc(Cl)cc4)s3)CC2)c1 435165915 RBUGMKYUJUFWTC-UHFFFAOYSA-N 426.954 5.026 30 20 IKED Cc1oc(C#N)cc1C(=O)Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1 435699786 AQZRTMRWWUTHJI-UHFFFAOYSA-N 441.362 5.038 30 20 IKED C=CCCc1ccccc1NC(=O)c1cc(Br)c(O)c(Br)c1 436484553 DWRLOGAGKVMULI-UHFFFAOYSA-N 425.120 5.288 30 20 IKED C[C@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@@H](OC1CCOCC1)c1ccccc1 437760775 FJMGIMNOYNBIDE-YCRPNKLZSA-N 447.457 5.024 30 20 IKED CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 437898962 RDMXJNXQWXZRMF-VWLOTQADSA-N 441.575 6.125 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F 438380098 QZULZGGYHBFZKB-UHFFFAOYSA-N 429.414 5.598 30 20 IKED CSc1cc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c(Cl)cc1Cl 438621738 QHBWIFQUNXKWGH-UHFFFAOYSA-N 436.364 5.102 30 20 IKED N#CCC[C@H](NC(=O)CCc1ncc(-c2ccccc2Br)o1)c1ccccc1 439657905 IGYQASMLJJKJAA-IBGZPJMESA-N 438.325 5.198 30 20 IKED N#Cc1ccc(-c2nnc(CN3CCC(COc4cc(Cl)cc(Cl)c4)CC3)o2)cc1 441463075 JZVLIQGFJYKVSQ-UHFFFAOYSA-N 443.334 5.206 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1)c1ccc(C(F)(F)F)cc1 442221928 JAQNEMVQXYPXDG-IBGZPJMESA-N 437.437 5.375 30 20 IKED CCOc1ccc([C@H](NCc2nnc(-c3ccc(C#N)cc3)o2)c2cccc(Cl)c2)cc1 443457975 VBNWOLBVZDQGEW-DEOSSOPVSA-N 444.922 5.540 30 20 IKED CC1(C#N)CCN(C(=O)Nc2ccc(Oc3nc(C(C)(C)C)ns3)c(Cl)c2)CC1 445031239 MUSFPTCXOUAZRB-UHFFFAOYSA-N 433.965 5.439 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c1C#N 445562479 DDTNEEPLBOAPMF-HZPDHXFCSA-N 442.466 5.227 30 20 IKED CCOC(=O)c1sc(-c2ccc(OC)cc2)cc1NC(=O)c1c(F)cc(C#N)cc1F 445740213 ILZPZSAJYIGXMW-UHFFFAOYSA-N 442.443 5.003 30 20 IKED CCN(C(=O)c1c(F)cc(C#N)cc1F)[C@H](c1cccnc1)c1csc2ccccc12 445772302 GVTZQGZNVYKXKS-HSZRJFAPSA-N 433.483 5.698 30 20 IKED COc1ccc(CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)c2ccncc2)cc1 460361466 KORCCISUIXNNPH-UHFFFAOYSA-N 449.510 5.388 30 20 IKED C=C(C)Cn1c(CCCc2cccs2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 460589305 ZYXVERPYQKTGKV-YVGXBJCXSA-N 442.654 5.026 30 20 IKED C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(C)[C@@H](C)c1ccc(-c2ccccc2OC)cc1 460776247 WCYOVIVGGCZHBA-CYFREDJKSA-N 432.568 5.579 30 20 IKED COc1ccc(S(=O)(=O)Nc2ccccc2SC[C@H](C)C#N)c(Cl)c1Cl 460823618 NHKOCVZLWAQDJY-LLVKDONJSA-N 431.366 5.055 30 20 IKED N#C[C@H]1N(C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)CCC[C@@]12CCCCO2 468127274 AKIXMZDWNQJXOG-SQHAQQRYSA-N 445.538 5.360 30 20 IKED N#C[C@@H]1N(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)CCC[C@@]12CCCCO2 468652519 IRMDHNBBJILJST-AHWVRZQESA-N 430.504 5.079 30 20 IKED Cc1cnn(Cc2ccccc2F)c1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 470199956 IIFBTXKHZDFRNP-UHFFFAOYSA-N 440.478 5.490 30 20 IKED Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 470305174 YYIWZWKVKPUHIA-FQEVSTJZSA-N 428.410 5.462 30 20 IKED C=CCN(C(=O)CCc1cnc2ccccc2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 470737222 OFTYMOSCPGCJLQ-UHFFFAOYSA-N 444.516 5.418 30 20 IKED CC(=O)Nc1ccc(C)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 473621122 AQQQYSRGCCWSRV-UHFFFAOYSA-N 433.895 5.310 30 20 IKED C=CCN(C(=O)CN1CCCCCC1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 476146604 ITEJLVPFRQQLOF-UHFFFAOYSA-N 438.380 5.039 30 20 IKED C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C2CC2)o1 479159365 HDUINKKSHKUYFK-LPRLQHGTSA-N 433.552 5.339 30 20 IKED N#CCCn1cc(CNc2cccc(-n3cc(C(F)(F)F)cn3)c2)c(-c2ccccc2)n1 479424878 PPTDDFMPWCKRKU-UHFFFAOYSA-N 436.441 5.280 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCc1noc(-c2ccc(Cl)cc2)n1 481370394 HWJDLOCKTKXOBR-UHFFFAOYSA-N 439.928 5.039 30 20 IKED CC(C)(C)[C@@H]1C[C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCO1 482984450 ASXHESVOTMWAOT-VCOUNFBDSA-N 425.960 5.711 30 20 IKED CC[C@H](N[C@H](C)c1ccc(OC(F)F)cc1OC(F)F)c1nc(C(F)(F)F)cs1 483846590 CEQIKEIBMYFADO-KCJUWKMLSA-N 446.388 6.167 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)N(CCC#N)c3ccc4c(c3)OCCO4)s2)c(C)c1 486215838 MRMROYCXSALWLK-UHFFFAOYSA-N 433.533 5.067 30 20 IKED Cc1ccc(-c2nc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cs2)o1 488026715 BXSYGVKLEZQVFK-UHFFFAOYSA-N 431.492 5.565 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)cc1C 500576854 HSZMGDUHMAIIPO-JWQCQUIFSA-N 436.559 5.541 30 20 IKED N#Cc1ccccc1CSCCNC(=O)N(Cc1cccs1)Cc1cccs1 500691972 XTYPFKQDWJKOGF-UHFFFAOYSA-N 427.620 5.326 30 20 IKED Cc1nc([C@H]2CCCCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)no1 501100662 RCWUDKLOSWXREQ-HSZRJFAPSA-N 445.523 5.286 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(-c2nccs2)cc1 502663055 VYKULTJYABACGM-UHFFFAOYSA-N 446.345 5.932 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc([C@@H]4CCCOC4)cc3)cc2F)c1 503033200 PHAPVDAEPOJJKI-JOCHJYFZSA-N 430.479 5.423 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](c3ccccc3F)C2)cc1Cl 504041086 ZKPUAMUKIRQBRS-XMSQKQJNSA-N 433.914 6.156 30 20 IKED C=CCN(CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)Cc1ccc(Cl)s1 504863103 ZBZIRBNHMYKAHR-UHFFFAOYSA-N 445.997 5.342 30 20 IKED Cc1ccc(/C=C\c2cc(C(=O)NCCCCC#N)c3cc(Br)ccc3n2)o1 505073639 GRVKPCDMNGBIQN-CLFYSBASSA-N 438.325 5.493 30 20 IKED COc1ccccc1OCc1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)o1 505933682 LLWQQZFSVYSRTK-KRWDZBQOSA-N 431.275 5.169 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CC[C@@H](C(F)(F)F)C3)s2)c(C(F)(F)F)c1 507658964 IHNVKADDCBLXCM-CHWSQXEVSA-N 447.404 5.541 30 20 IKED C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(c2ncc(C)s2)CC1 508911954 CMFCBISXTPSZGE-INIZCTEOSA-N 444.004 5.406 30 20 IKED CC(C)Cn1ncc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1C1CC1 509897495 WQOPGASMGSHVRI-CQSZACIVSA-N 426.492 5.308 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2ccccc2C(F)(F)F)cc1 510938803 WROBENCHKRQTAZ-MRXNPFEDSA-N 431.458 5.402 30 20 IKED CN(C[C@@H]1OCCc2ccccc21)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 513984182 ZKIYKHQVISIGDV-ZCYQVOJMSA-N 445.950 5.773 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1CN(C)C1CCCCC1 514431690 LBIYAYQINVLKPV-UHFFFAOYSA-N 435.568 5.129 30 20 IKED C=CCn1c(SCc2cccc(C(=O)N3CCCCC3)c2)nnc1-c1ccccc1OC 515604768 NOTYLJWQAUQLNL-UHFFFAOYSA-N 448.592 5.058 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2cccc(Cl)c2)n1)c1nc(-c2ccc(Cl)cc2)cs1 516465469 ROSANKWKIBYOAX-QGZVFWFLSA-N 439.327 5.793 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 520291296 XWKBCIZVEOLVAL-VXNXHJTFSA-N 430.552 5.059 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCc1nc2ccccc2n1-c1ccccc1 520827558 MKGWEYOASLDHSZ-IBGZPJMESA-N 440.572 5.849 30 20 IKED COc1cc(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)ccc1OCCC(C)C 523535453 SOEWVIXCHKMWTJ-UHFFFAOYSA-N 432.524 5.047 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@@H](OCC(F)(F)F)C2)c1 523948025 HUBCTLBGMNXJTO-MRXNPFEDSA-N 438.833 5.187 30 20 IKED CN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)c1cccc(OC(F)(F)F)c1 524487392 GZXUCGMIDWSWAC-UHFFFAOYSA-N 426.394 5.312 30 20 IKED C=CCn1c(S[C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)nnc1-c1cccnc1 525518164 AFEHCPOIIHRFDD-CQSZACIVSA-N 438.944 5.007 30 20 IKED N#Cc1ccc(NC(=O)C(=O)Nc2cccc(CSC3CCCCC3)c2)cc1Cl 525901046 SCVMCQZFVQWFFY-UHFFFAOYSA-N 427.957 5.355 30 20 IKED C=CCN(Cc1cccc(C#N)c1)Cc1csc(N(C(C)=O)c2ccc(C)cc2C)n1 534487622 STHGYDXVXAHJEN-UHFFFAOYSA-N 430.577 5.504 30 20 IKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc(CC#N)cc1 535475301 OMJGREZZKHAEDU-UHFFFAOYSA-N 437.421 5.585 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2Cl)CC1 536057414 LYBFZXCKRMVKET-HNNXBMFYSA-N 432.952 5.085 30 20 IKED COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccc(C3(C#N)CC3)cc1)CCO2 538555890 BCZNCMMSSHOJBU-RUZDIDTESA-N 438.527 5.417 30 20 IKED COc1ccc(-c2nnc(SCCCC3(C#N)CCOCC3)n2-c2ccccc2)cc1 538613087 PDOSNECZVDVQCX-UHFFFAOYSA-N 434.565 5.136 30 20 IKED C=CCn1c(SCc2nnc(C)s2)nc2scc(-c3ccc(C)cc3)c2c1=O 539108478 GVOLNEHNWAZLJO-UHFFFAOYSA-N 426.592 5.072 30 20 IKED N#C[C@H](C(=O)c1cnc(Oc2ccccc2)cn1)c1nc(-c2ccc(Cl)cc2)cs1 539147734 LBBSNCFUHJSEEN-QGZVFWFLSA-N 432.892 5.536 30 20 IKED C[C@@H](NCc1ccccc1C(C)(C)C#N)c1cccc(NC(=O)Cc2ccccc2F)c1 540328040 LJBFWDHUZOSOBM-LJQANCHMSA-N 429.539 5.659 30 20 IKED Cc1nc(NC(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)sc1SCC#N 542002089 HIHHWMDVNRWAGG-UHFFFAOYSA-N 438.456 5.302 30 20 IKED C[C@@H]1C[C@@H](C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CCC1=O 542161420 ZZSMNJUSPOEBCE-TVLCNXBWSA-N 449.313 5.449 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N3CCC(CC#N)CC3)cc12 542905114 AWLOIXQWYJXDAG-UHFFFAOYSA-N 447.391 5.527 30 20 IKED C[C@H](NC(=O)N[C@@H](C)[C@@H]1CCCN(C2CCC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 543017919 YYEUPGCQOZPBOD-ZYLNGJIFSA-N 430.596 5.238 30 20 IKED C[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 543863473 FUJOTOSZLJNNHN-VIFPVBQESA-N 429.807 5.258 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)c2)cc1 552624348 FYTLLMWZAHTPJC-UHFFFAOYSA-N 440.503 5.233 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cnn(-c2ccc(C)c(Cl)c2)c1C1CC1 553097559 NJAWBPOUWJTWTM-UHFFFAOYSA-N 439.943 5.015 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(-c2ccccc2)nc2onc(C)c12 553119167 CGDKUCXEBNRNHA-UHFFFAOYSA-N 429.524 5.194 30 20 IKED COc1ccc2ccccc2c1-c1cc(Cn2nc(C(C)(C)C)c(CCC#N)c2O)on1 554426156 GUUFOJOPOUUEHR-UHFFFAOYSA-N 430.508 5.207 30 20 IKED CN(C)c1cc(C#N)cc(-c2nc(-c3ncoc3-c3cccc(C(F)(F)F)c3)no2)c1 560002022 DHPVZQNANOPSCR-UHFFFAOYSA-N 425.370 5.015 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(CN4CCCCC4)cc3)n2)cc1 561315247 XCGORAHMNIZQNP-JOCHJYFZSA-N 431.561 5.295 30 20 IKED N#CCCn1ncc(C(=O)Nc2cccc(Br)c2Cl)c1-c1ccccc1 579378279 BDBSYILMNPWYLZ-UHFFFAOYSA-N 429.705 5.132 30 20 IKED CCS(=O)(=O)c1ccc([C@@H](C)NCCC(C#N)(c2ccccc2)c2ccccc2)cc1 580907699 SKKFHTAUEKCXHN-OAQYLSRUSA-N 432.589 5.031 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3ccc(C(F)(F)C(F)(F)F)cc3)CC2)c(F)c1 586811228 IMKBVCUCOZPJIG-UHFFFAOYSA-N 441.375 5.207 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)c2cccs2)c1 589798592 GIKBTCBJARSXQS-OAQYLSRUSA-N 440.952 5.201 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(-c4nc(C)cs4)c3)n2)cc1 607008997 HZDBJWQCOOKSRN-LJQANCHMSA-N 431.542 5.741 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCO[C@H](c3ccccc3F)C2)cc1 608995635 UNICAEJQJZWUSC-VWLOTQADSA-N 445.494 5.076 30 20 IKED N#CCCN(Cc1ccco1)C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 609024104 FDAGHNJLPBKZDH-UHFFFAOYSA-N 430.439 5.055 30 20 IKED CCc1c(C)sc(NC(=O)[C@@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)c1C#N 609033465 VRKYTDCUHWDBLK-GFCCVEGCSA-N 446.623 5.078 30 20 IKED CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 609517683 ISYHRMLNMRUSNI-UHFFFAOYSA-N 427.548 5.269 30 20 IKED Cc1cccnc1[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C(C)C 609682875 XMBDEKKNHLEXJF-GMAHTHKFSA-N 432.955 6.218 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1)C(C)C 609726034 ZRBAVDZLXDHWLL-UHFFFAOYSA-N 441.531 5.146 30 20 IKED COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N(CC#N)C2CCCC2)cc1 609976915 IGCMELKNICMROU-ZZEZOPTASA-N 437.543 5.639 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCCC[C@H]2c2noc(C3CC3)n2)cc1 610497744 CYJQRMHCBVWUFU-FQEVSTJZSA-N 430.533 5.337 30 20 IKED CCN(CCC1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1)CC1CC1 611302475 NSVZGQXLGCMOHN-UHFFFAOYSA-N 447.583 5.111 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2ccc(Oc3nncc4ccccc34)cc2)c(Cl)c1 611984051 PHWDMHOOSQBYHB-UHFFFAOYSA-N 435.270 5.853 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 615655810 RRFUYUDJMLHTPD-IBGZPJMESA-N 431.511 5.537 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 618841748 BHZBBZROMHVYBB-XXBNENTESA-N 447.583 5.031 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1NC(=O)c1ccccc1 642281534 HVYMHXJDCVIDJV-OAQYLSRUSA-N 437.524 5.861 30 20 IKED C=CCn1c(SCCC(=O)NCc2ccccc2Cl)nnc1-c1ccc(Cl)cc1 644490511 KJVNJOUBYSXTKA-UHFFFAOYSA-N 447.391 5.237 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c2cc(Br)ccc2n1 679540174 IXOFGVBCVVSBSR-OAHLLOKOSA-N 440.297 5.545 30 20 IKED C=CCC[C@H](N[C@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccc(C(F)(F)F)cc1 681394686 VQYZVQRVBWQGAZ-OALUTQOASA-N 427.463 5.360 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)n(C)c2C)[n+]2ccc3c(c2)CCCC3)c1 726573020 VTBFECBWZIFRGM-UHFFFAOYSA-O 442.608 5.113 30 20 IKED COc1ccc(CCCCCC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 727628637 KYCMOHGWZIDTJK-LJQANCHMSA-N 449.576 5.264 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@H]3COc3ccc(Cl)cc3)o2)cc1 728023191 YPIXAVWSYZWTKO-IBGZPJMESA-N 436.895 5.067 30 20 IKED N#C[C@H](C(=O)CN1CCCCCCC1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 729071301 ZIIOCEBWGAUEIY-OAHLLOKOSA-N 436.364 5.086 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H](O)c3cccc(C(F)(F)F)c3)cc2)cc1 730900214 WZKWSZDMFMXNNO-NRFANRHFSA-N 441.409 5.224 30 20 IKED N#CCCN(C(=O)CCC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F)c1ccccc1 731225826 SUDFULHOZRURED-NRFANRHFSA-N 443.469 5.096 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@]1(O)CCCc2ccccc21 731399318 UIYAWMYXAANAQZ-SANMLTNESA-N 427.504 5.005 30 20 IKED N#CCOc1ccc(CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)cc1 731977273 FXWXWRGOTUFBIV-QHCPKHFHSA-N 425.315 5.344 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)cc2)cc1 732495315 WPLQDCMKLXNMFK-FQEVSTJZSA-N 429.863 5.160 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1[nH]c(-c2ccccc2)nc1C 733080825 CLMLEIYXVWPDFP-UHFFFAOYSA-N 437.429 5.092 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccncc3)c(Cl)c2)cc1 734080375 RRTMGVNPEGVEKY-OAQYLSRUSA-N 447.922 5.831 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)CCc3ncc(-c4ccc(Cl)cc4Cl)o3)[nH]c12 735791412 YDXLTGIEPCZWAX-HNNXBMFYSA-N 439.302 5.642 30 20 IKED CCc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)o1 740434268 CURSOTSUELLMSD-RPBOFIJWSA-N 427.548 6.647 30 20 IKED Cc1ccc(-c2nc(/C=C/C(=O)c3ccc(S(=O)(=O)CC(F)F)cc3)cs2)cc1 741853269 ZJTWEEZNJMPHGI-DHZHZOJOSA-N 433.501 5.053 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)Nc2cc(C#N)ccc2OC(F)F)cc1 743143038 IAMCZLZZXDAYND-ZDUSSCGKSA-N 446.454 5.389 30 20 IKED Cc1nc(CCC(=O)OCCC#Cc2ccccc2)oc1-c1ccc(Br)cc1 744187010 HWYYEIRJEJVHEO-UHFFFAOYSA-N 438.321 5.330 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(CC)Cc2cccc(-c3ccncc3)c2)c1 745820923 MTOFEVBKLNBOJF-DEOSSOPVSA-N 428.536 5.161 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 747195956 CNJMFPRWCTZPHS-QGZVFWFLSA-N 449.498 5.014 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)ccc1OCc1ccc(F)cc1 748583857 JFZRDXJRPLRRQX-QCDXTXTGSA-N 447.462 5.266 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1csc(-c2ccccc2Cl)n1 749361079 HJLCUHYFMOJGGC-UHFFFAOYSA-N 432.936 5.141 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1 752619432 ZJQVFKRBCGEJRC-QGZVFWFLSA-N 446.617 5.240 30 20 IKED COc1ccc(C(=O)CCCCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 760197402 WYVZVKVREMUPHC-QGZVFWFLSA-N 426.925 5.578 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)Nc1ccc(F)cc1OCC#N 761669385 WSLCLOOTJFAYPA-ZDUSSCGKSA-N 444.919 5.696 30 20 IKED C=CCn1c(-c2ccccc2F)nn(CNC2(c3nc(C)cs3)CCCC2)c1=S 764120031 BBIRNGNYYGFODB-UHFFFAOYSA-N 429.590 5.188 30 20 IKED Cc1ccc(Sc2ncccc2C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)cc1C 764303151 MKVPCWWJLVJTNS-UHFFFAOYSA-N 438.896 5.535 30 20 IKED COCc1ccc(/C=C2/CC(O)(C(F)(F)F)C/C(=C/c3ccc(COC)cc3)C2=O)cc1 764431969 HUKUFADVZTXJOX-IINORCHSSA-N 446.465 5.103 30 20 IKED CC(C)CN(CCC#N)Cn1nc(-c2cccc(Cl)c2)n(Cc2ccco2)c1=S 764910028 SYXIDBFEQRGPLK-UHFFFAOYSA-N 429.977 5.205 30 20 IKED CN(Cc1ccccc1NC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)OC(C)(C)C 767757410 ZOJBSEMBDKDLKP-UHFFFAOYSA-N 446.551 5.564 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(F)cc2OC2CCCC2)ccc1OC 770287735 VTVIUHUMEOHXIQ-SFHVURJKSA-N 441.503 5.158 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCCc1cccc(C(F)(F)F)c1 770838100 GFYKODVFWGWUTP-HXUWFJFHSA-N 430.470 5.500 30 20 IKED COCCc1ccc(Oc2ccc(NC(=O)Nc3ccccc3O[C@@H](C)C#N)cc2)cc1 780577213 NKOZBTVRBWFQBV-SFHVURJKSA-N 431.492 5.603 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1 780748950 KRGLQQJYKWHDDV-MZNJEOGPSA-N 436.964 6.092 30 20 IKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc(OC)c1C(C)C 781448587 OSHZGUHBVMDVTB-AWEZNQCLSA-N 435.307 5.095 30 20 IKED C[C@@H](OC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nnc(-c2ccc(F)cc2)o1 783681909 GRLRHRDEGVVLBE-MRXNPFEDSA-N 443.434 5.244 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=S)Nc1cccc(OC(F)(F)F)c1 783730061 KRAPFHJMUSKNAT-UHFFFAOYSA-N 427.451 5.860 30 20 IKED Cc1cc(Br)cc(NC(=O)c2ccc(CC#N)cc2)c1NC(=O)OC(C)(C)C 784692201 QGSRQJOTSJOUTQ-UHFFFAOYSA-N 444.329 5.423 30 20 IKED Cc1cc(C(F)(F)F)ccc1C=Nn1cnc2sc(C)c(-c3ccccc3)c2c1=O 785448945 FZTLIANCISHHRV-UHFFFAOYSA-N 427.451 5.643 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(OC(=O)C[C@H](CC#N)c2ccccc2)cc1 796735346 ZWNXSWPJEWTNJO-FQEVSTJZSA-N 432.907 5.610 30 20 IKED C=CCn1c(SCc2ccc(Br)c([N+](=O)[O-])c2)nnc1-c1cccs1 800836836 YRTPYJWKXFALII-UHFFFAOYSA-N 437.344 5.156 30 20 IKED CC(C)(C)c1cnc(CCC(=O)OCc2c(F)c(F)c(C(F)(F)F)c(F)c2F)o1 800963894 ZZPORWYIFCVIHZ-UHFFFAOYSA-N 427.316 5.223 30 20 IKED CC1(C(=O)OC[C@H]2CCO[C@H]2c2ccccc2)CCN(c2ccc(Cl)cc2C#N)CC1 805920997 WSXGKQUWFJPHJD-XXBNENTESA-N 438.955 5.139 30 20 IKED CCOc1cc(/C=C/C(=O)c2cc3c(C)nn(C)c3s2)cc(Br)c1OC 806576975 KJVLQIKJENKBSZ-VOTSOKGWSA-N 435.343 5.009 30 20 IKED N#C[C@@H](C(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1)c1cc(C(F)(F)F)ccn1 813211221 GCRFFIXOBQKTBY-HXUWFJFHSA-N 444.840 5.752 30 20 IKED CC(=NNc1cnnc2ccccc12)c1sc(-c2ccccc2Br)nc1C 814849310 PRNJQZOBYJREDY-UHFFFAOYSA-N 438.354 5.660 30 20 IKED CCCOc1c(Cl)cc(C=NOCc2nc(-c3ccccc3C)no2)cc1OCC 826123719 UWARWJSLSNDXPK-UHFFFAOYSA-N 429.904 5.437 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 914498258 VUAUBBIFZVQRDN-UHFFFAOYSA-N 449.620 5.152 30 20 IKED CCCCOc1c(Cl)cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)cc1OCC 916910452 RLLRFAHHYVLMQQ-HNNXBMFYSA-N 449.334 5.532 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)ccc1OCc1ccccc1 917026180 XFJCZXWPKDJTHA-OAQYLSRUSA-N 440.524 5.888 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ncccc34)CCC2)cc1 1785841966 HXZWCFFPBMEHRJ-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccnc(C(F)(F)F)c3)cc2)CCC1 1787213072 ZNBWWVJJGDIRQZ-UHFFFAOYSA-N 443.469 5.042 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccs4)cc3)CCC2)c1 1787277818 XXDGBLPTHLYILU-KRWDZBQOSA-N 429.545 5.437 30 20 IKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cccnc3)CCC2)cc1)c1ccccc1 1789601843 FHISSLFDQCJMPV-VWLOTQADSA-N 437.543 5.027 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)/C=C\c3c[nH]c4ccccc34)CCC2)cc1 1791582043 QPYVYVMWVXEHGW-WJDWOHSUSA-N 425.532 5.119 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)/C(C)=C/c3ccc(OC)cc3)CCC2)cc1 1791583690 AEVFKSJHFDUHIQ-FMQUCBEESA-N 430.548 5.036 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1cccc(C)c1 1796474832 RXVJNHTVEBCFPV-NUNAXRQHSA-N 445.607 5.301 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(F)ccc3[nH]2)n[nH]1 1818992436 HVXJHDKWEXBCER-AVRDEDQJSA-N 449.530 5.104 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nccc3occc23)CC1 1827302780 CNUIBLVCDUFNRY-OAQYLSRUSA-N 437.584 5.054 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cnccc3c2)CC1 1828205083 SKTNBOXKIGJXSD-FTJBHMTQSA-N 445.607 5.237 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1ccc(C(F)(F)F)cc1Cl)C2 1844356884 BQANBVGFHMTXGT-UHFFFAOYSA-N 442.909 5.168 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Br)cc1)=C(/S)Nc1ccccc1 10170282 UUVUWGMBUNMRQA-UHFFFAOYSA-O 440.386 5.350 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(CC)cc2)cc1 10173510 LSLICUKITAIZMG-UHFFFAOYSA-O 434.629 5.495 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2cccc([N+](=O)[O-])c2)[n+]2ccccc2CC)c1 10174493 PXHDKUYNVFFHSG-UHFFFAOYSA-O 434.541 5.058 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc3ccccc3c2)nnc1-c1ccccc1 11055998 UUGVCWJCOHJGQA-SFHVURJKSA-N 428.561 5.254 30 20 IKED Cc1ccccc1N/C(S)=C(\C(=O)c1cc(C)n(C)c1C)[n+]1ccc(C(C)(C)C)cc1 11167300 BOEDULBONCJFJD-UHFFFAOYSA-O 434.629 5.586 30 20 IKED Cc1c(Cl)cccc1Nc1nnc(S[C@@H](C)C(=O)Nc2ccccc2C#N)s1 21737508 CLZQDLJHASCWNQ-LBPRGKRZSA-N 429.958 5.235 30 20 IKED C=CCn1c(SCc2occc2C(=O)OC)nc2scc(-c3cccs3)c2c1=O 24038040 NIERXEJALLHMSP-UHFFFAOYSA-N 444.559 5.044 30 20 IKED N#C[C@@H](C(=O)CSc1nnc(Nc2ccccc2)s1)c1nc(-c2ccccc2)cs1 27445317 GTYQBUSYPYRNBS-INIZCTEOSA-N 449.586 5.374 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2OCc2ccccc2Cl)cc1 29202194 QSNHAEUUVKBBFM-UHFFFAOYSA-N 435.911 5.479 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 32289257 KHJPWSHOIXFZOI-UHFFFAOYSA-N 436.515 5.121 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)CSCc3cc(-c4cccs4)on3)c2C#N)C1 61111974 VFNXDUFLDWPRFM-LBPRGKRZSA-N 429.592 5.333 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(-n3ccnc3)c(F)c2)cc1 63109454 RFMHPMAVSDEIKB-UHFFFAOYSA-N 442.519 5.105 30 20 IKED C=CCOc1c(Br)cc(CNc2ccc(C)c(NC(C)=O)c2)cc1OCC 97465936 QWPAYGJRFLTAIE-UHFFFAOYSA-N 433.346 5.292 30 20 IKED CCOc1ccc(-c2nn(CN(CC)C[C@H](C)C#N)c(=S)n2-c2ccccc2F)cc1 110493140 YMPLCALDOUADTN-QGZVFWFLSA-N 439.560 5.047 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)cc1 111018754 FJEIUNIPHGEIED-UHFFFAOYSA-N 428.536 5.236 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)cc2)cc1 195704322 YRXUPJGABUCONV-UHFFFAOYSA-N 448.404 5.807 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2cccc(C)c2C)C(C)C)nnc1-c1ccccc1F 219005411 KBIBJXCAPGTXIO-NRFANRHFSA-N 438.572 5.642 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)c1 303706136 YCNPQBKPQNHSRF-SFHVURJKSA-N 431.923 5.260 30 20 IKED CCS[C@@H](C)c1noc(CN(C)C(=O)c2ccccc2Sc2ccccc2C#N)n1 409684383 FMLFFGSYCGEVGO-HNNXBMFYSA-N 438.578 5.179 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(CN(CC(C)C)c2ccc(C#N)cc2)cs1 430045187 XTJZSAGHMBSMHW-UHFFFAOYSA-N 438.984 6.015 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)s1 430593613 SZCDLBIWWDWUHR-QGZVFWFLSA-N 434.521 5.451 30 20 IKED N#CCC[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1)c1ccccc1 430895126 SIDHDVDDCYDINC-WOJBJXKFSA-N 430.321 5.480 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1ncc(Br)s1 432504746 WXLCHMNJADRRRL-LLVKDONJSA-N 442.429 5.029 30 20 IKED CC[C@H](C)n1c(SCC(=O)N[C@H](CCC#N)c2ccccc2)nnc1-c1ccccc1 439676777 XXWXAUATFIWBFR-GHTZIAJQSA-N 433.581 5.169 30 20 IKED COc1ccccc1[C@@H](Nc1c(C#N)cnc2c(Br)cccc12)c1ccccn1 440671710 HQBAWVWOZOTAHL-HSZRJFAPSA-N 445.320 5.474 30 20 IKED C=CCC[C@@H](NC(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2)c1ccc(C(F)(F)F)cc1 440832067 LGZQSIIZNAXUMS-RDTXWAMCSA-N 447.457 5.104 30 20 IKED CCC(C)(C)OCc1cccc(NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1C 441847553 GXAYCWKDYFCNDT-UHFFFAOYSA-N 447.457 5.168 30 20 IKED Cc1nc(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2)cs1 442509656 NNQKVAYSLNNKTJ-LJQANCHMSA-N 426.526 5.604 30 20 IKED N#CCCCn1cc(C(=O)Nc2nnc(SCc3ccccc3)s2)c2ccccc21 444032859 LBMMJXIVIFTWLX-UHFFFAOYSA-N 433.562 5.341 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 444824348 GGWRMULFXJISBL-VGOFRKELSA-N 447.457 5.264 30 20 IKED COc1ccc(CN[C@H]2C[C@H](c3ccc(Br)cc3)C2)cc1OCCCC#N 462867537 JICUHHAVCNYDOD-KESTWPANSA-N 429.358 5.176 30 20 IKED CC(C)c1ccc(-c2noc(CCC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)n2)cc1 464934476 CVOXVMMIPWXVCR-DHIUTWEWSA-N 428.536 5.091 30 20 IKED CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 470604605 AFXCPPAWXTWGFR-HXUWFJFHSA-N 431.458 5.526 30 20 IKED COc1cccc(Cl)c1-c1noc(C)c1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 476529693 DBGVWJFKXVXKAX-UHFFFAOYSA-N 433.895 5.113 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCc1ncc(-c2cccc(Cl)c2)o1 481335156 DVUTZPGUZFDVAX-UHFFFAOYSA-N 438.940 5.644 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccccc3OC(F)F)cc2F)c1 481740442 KNDIPIYBYZMNHE-UHFFFAOYSA-N 441.409 5.199 30 20 IKED O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)N[C@H](CC(F)(F)F)c1ccccc1 482408814 CVBFUPFRSAXQSS-HIFRSBDPSA-N 426.307 5.561 30 20 IKED N#C[C@@H](C(=O)c1cc2sc(N3CCCC3)nc2s1)c1nc(-c2ccccc2)cs1 483486489 OVGKZFPASIMCME-AWEZNQCLSA-N 436.587 5.572 30 20 IKED CCOC(=O)c1csc([C@@H]2CCCN2C(=O)Nc2ccccc2C#Cc2ccccc2)n1 484508904 BKFYNLWNFBJOHX-QFIPXVFZSA-N 445.544 5.089 30 20 IKED COc1ccc2cc(CN(C)C(=O)CNc3ccccc3SC[C@@H](C)C#N)ccc2c1 487396149 RFNJDCQCLOHFQJ-SFHVURJKSA-N 433.577 5.171 30 20 IKED COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 487415530 AVLDXYIPHAPABZ-UHFFFAOYSA-N 428.897 5.122 30 20 IKED CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](CCCC#N)c2ccccc2)c1 487444324 IDFSSOQPFWEHKD-NRFANRHFSA-N 425.960 5.880 30 20 IKED C=CCC[C@@H](C(=O)Nc1nc(-c2ccc(CCNC(C)=O)cc2)cs1)c1ccccc1 487747281 HEYBAWTZJHLBGE-JOCHJYFZSA-N 433.577 5.177 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@@H]3CCO[C@@H]3c3ccccc3)cc2F)c1 489865029 WMKWMTKQPSUONW-SQJMNOBHSA-N 445.494 5.176 30 20 IKED CN(CCc1ccc(Cl)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 490394941 AYGBTZBVLUSBBM-UHFFFAOYSA-N 433.939 5.691 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H]2CCCCC(F)(F)C2)cc1 490740032 HVKWLSOISWXECP-LJQANCHMSA-N 427.495 5.669 30 20 IKED Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccccc3F)n2Cc2ccccc2)cc1 493928619 UDTPYCJNHWJIQY-OAQYLSRUSA-N 428.536 5.668 30 20 IKED Cc1oc(-c2cccs2)nc1CS(=O)(=O)Cc1ccc(-c2ccccc2C#N)cc1 494690565 OTNCLXLXTMPIQC-UHFFFAOYSA-N 434.542 5.365 30 20 IKED C[C@H](Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 495669772 PEOLEDINWGMINO-UWVAXJGDSA-N 437.609 5.643 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N(C1CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 502861498 QBXQZMINAMNSFN-INIZCTEOSA-N 446.469 5.497 30 20 IKED N#C[C@@H](NC(=O)c1oc2ccccc2c1CSc1ncccn1)c1ccc(Cl)cc1 505823741 BBRHXXBJYSPKGZ-GOSISDBHSA-N 434.908 5.163 30 20 IKED C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1Cl 507167406 LDLHWCBYQKMOOK-HNNXBMFYSA-N 439.918 5.036 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)cc1 509986158 JYGVEPGFKVQOOH-DEOSSOPVSA-N 442.515 5.337 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 510673658 DLMMLLSKJIJGSI-UHFFFAOYSA-N 440.503 5.233 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)Nc3sc4c(c3C#N)CCCC4)s2)cc1OC 511924658 FCTXUNJDVHYTJI-UHFFFAOYSA-N 439.562 5.200 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 512541556 VTJICICDLFCMRW-UHFFFAOYSA-N 445.500 5.046 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)NCc2cccc(OCC(F)(F)F)c2)c1 513468370 GSFKCVZDKUFEKE-UHFFFAOYSA-N 440.421 5.008 30 20 IKED C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(=O)N1CCc2sccc2C1 515736162 SRKXPFMGSATILK-OAHLLOKOSA-N 437.952 5.451 30 20 IKED Cc1cccc(COc2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)c2)c1 516332376 XHUBPPBXGWODLE-JOCHJYFZSA-N 425.513 5.583 30 20 IKED CCc1c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)nnn1-c1cccc(Cl)c1 517566722 RBKDYIXKNUWLGI-AWEZNQCLSA-N 442.331 5.236 30 20 IKED Cc1ccc(-n2ncc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2C)cc1 519941774 VEDCJXIGBZXZNP-MRXNPFEDSA-N 434.471 5.381 30 20 IKED O=C(c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)N1CCCN(CC(F)(F)F)CC1 520634805 NGCNRVGHGXBHRK-UHFFFAOYSA-N 448.382 5.222 30 20 IKED Cc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c2cnn(Cc3cccs3)c2n1 520827606 QBPGTFXGOUIOCP-OAHLLOKOSA-N 447.589 5.354 30 20 IKED Cc1ccc([C@@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)N(C)C)cc1 521500912 SDCURWVQNDBZOA-XMMPIXPASA-N 429.589 5.192 30 20 IKED CCCN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@@H](C)c1ccccc1Br 523423806 LSAZGUBPGJJYLN-INIZCTEOSA-N 428.374 6.255 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)NCc3ccc(OCC(F)(F)F)cc3)c2)c1 523708061 FBCUQDZWGYUBHD-UHFFFAOYSA-N 440.421 5.008 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(Oc4ccc(F)cc4)CC3)cc2)cc1 523770024 HGQXWHIIYQJUPO-UHFFFAOYSA-N 431.467 5.565 30 20 IKED CC[C@H](c1ccccc1)c1nnc(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)o1 524311913 POUSPOJKIVLIKT-OXJNMPFZSA-N 438.528 5.178 30 20 IKED CCc1c(C)sc(NC(=O)c2ccc(I)cc2Cl)c1C#N 524389546 NFIGAGDIQQISJQ-UHFFFAOYSA-N 430.698 5.001 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC(OCC4CCCCC4)CC3)s2)cc1 525224339 DYPJHQCEIZQLBH-UHFFFAOYSA-N 438.597 5.199 30 20 IKED CC(=O)c1ccc(Oc2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)cc1 536316113 IIZBBJBHUWPCNW-QGZVFWFLSA-N 430.529 6.186 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H](C)c1ccc(SC(C)C)cc1 538203173 DPAZUWIJLYGWSH-OALUTQOASA-N 425.598 5.182 30 20 IKED N#CC1(c2ccc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3C(F)(F)F)cc2)CC1 538499234 BQVHHWFWJHGBNQ-UHFFFAOYSA-N 439.393 5.358 30 20 IKED Cc1cc(NC(=O)N(C)[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)nn1CCC#N 539717384 GLPZADZGFHNHEL-OAQYLSRUSA-N 425.895 5.151 30 20 IKED C[C@H](SCC(=O)NCc1ccc(-c2ccccc2C#N)cc1)c1nc2ccccc2[nH]1 540198507 VAAXACLAZGEYBM-KRWDZBQOSA-N 426.545 5.212 30 20 IKED C[C@@H](NC(=O)N1CCC(c2c[nH]c3ncccc23)CC1)c1ccc(-c2cccc(C#N)c2)cc1 541157656 VDFYVBXOVJFNRM-LJQANCHMSA-N 449.558 5.752 30 20 IKED CCN(CC)C(=O)CCC1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 543883532 QRNLPWQVSRIHNS-UHFFFAOYSA-N 448.567 5.243 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@]2(CCCOC2)C1 549685238 HJXOMIAMTLUIKP-MBSDFSHPSA-N 430.980 5.045 30 20 IKED N#Cc1ccc(NC(=O)C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)cc1F 563786734 QWYAWGFKNXVSON-UHFFFAOYSA-N 443.356 5.086 30 20 IKED CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(c1nc3c(cc1C#N)CCCC3(C)C)CC2 570544040 NEBOKCYRCSSWKA-QFIPXVFZSA-N 448.636 5.036 30 20 IKED COc1ccc(-c2cc(NC(=O)c3ccc(C4(C#N)CC4)cc3)ccc2OC(F)F)cc1 580959909 CBLJHTMROXRUMQ-UHFFFAOYSA-N 434.442 5.771 30 20 IKED CCC[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)C(=O)Nc1cccc(N2CCCC2)c1 589503971 IUWDGCITGFBWTP-JOCHJYFZSA-N 444.501 5.074 30 20 IKED N#C[C@@H](C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2)c1ccc2ccccc2n1 592975466 FOCWROAXTVXBOG-QGZVFWFLSA-N 447.325 5.706 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1Cl 603766702 UIMMUWANNPJHEW-QFIPXVFZSA-N 429.907 5.375 30 20 IKED N#Cc1c(SCC(=O)Nc2c(Cl)cccc2Cl)nc2c(c1-c1ccco1)CCC2 603818398 HXQNJIIWGAOILQ-UHFFFAOYSA-N 444.343 5.740 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H]2c2cccs2)cc1Cl 604159187 AKSVRFGOZFTGRY-CTNGQTDRSA-N 449.963 5.359 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2N2CCCC2)cc1Cl 604362522 YIRBMDUIBDXFEN-QHCPKHFHSA-N 444.966 5.917 30 20 IKED C[C@@H](Nc1ccc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1[N+](=O)[O-])c1ccccn1 604417400 RDOOOPNVLVVUJL-APWZRJJASA-N 437.459 5.201 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3ccc(Br)c(F)c3)c2)c1 604497496 IMLDLMUFHHKMLT-UHFFFAOYSA-N 425.301 5.329 30 20 IKED CCc1c(C)sc(NC(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)c1C#N 609031046 BEQRWFVZAFPXEG-UHFFFAOYSA-N 427.526 5.504 30 20 IKED COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 609047053 RCOMNODACBJGCK-RUZDIDTESA-N 441.531 5.709 30 20 IKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cnn1-c1ccc(F)cc1 609104459 FUYOKTNMOMSQON-UHFFFAOYSA-N 444.441 5.162 30 20 IKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccc(F)c(F)c1 609387317 WUBUJQRQRRUJEI-NSHDSACASA-N 429.414 5.428 30 20 IKED CC(C)(C)C[C@@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccc(F)cc1 609405056 WYTWWYJYSKKNNW-LJQANCHMSA-N 427.545 5.064 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N(Cc3ccccc3)CC3CCOCC3)cc2)cc1 609507093 AGMCQIVWHBAMIQ-UHFFFAOYSA-N 440.543 5.614 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)c(C(F)(F)F)c1 610386639 GUVKGGVUWASFEY-KBPBESRZSA-N 449.498 5.284 30 20 IKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)C2CCCCC2)nnc1-c1ccco1 614012831 WZXJYVPRSOPLIL-JOCHJYFZSA-N 436.581 5.254 30 20 IKED Fc1ccc(-c2cn3nc(N4C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C4)sc3n2)cc1 618438096 MXYYIVRIROZAGU-PHIMTYICSA-N 438.372 5.164 30 20 IKED FC(F)(F)c1cccc(-c2noc(CN3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)n2)c1 618451604 OMOYSBJHIKDAFH-VXGBXAGGSA-N 447.301 5.318 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1 619539337 PNWMLXYARNZQAY-QGZVFWFLSA-N 428.439 5.510 30 20 IKED N#C[C@H](C(=O)c1oc2ccccc2c1CSc1cccs1)c1ccc2ccccc2n1 620847304 OIJYIFYWOGOLBR-SFHVURJKSA-N 440.549 6.825 30 20 IKED C=CCN(C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1nc2c(s1)CCCC2 623331682 GKQLEIUGIKNKJZ-UHFFFAOYSA-N 438.574 5.354 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 678204369 BQIXGEVBALJJLC-GRYCIOLGSA-N 440.281 5.201 30 20 IKED Fc1cc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1OCC(F)(F)F 680471432 CQCDOJKBRPBMBW-QWRGUYRKSA-N 427.282 5.330 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)s1 684675189 JTJDIXKZDCYEOC-ZDUSSCGKSA-N 435.496 6.073 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C\c3cc(Br)cs3)SC2=S)cc1Cl 726626215 BCALSVNWHHJEGT-WLRTZDKTSA-N 441.784 5.441 30 20 IKED COC(=O)Nc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 727999202 JGZAYOFJGSGQEY-UHFFFAOYSA-N 435.867 5.221 30 20 IKED Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)Nc1cccc(OCCCC#N)c1 728188916 SZVQONGJFCGZSO-UHFFFAOYSA-N 437.883 5.429 30 20 IKED N#CCOc1cccc(NC(=O)[C@@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)c1 730477288 FBTZPGPEZLZWFT-NRFANRHFSA-N 427.287 5.655 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC[C@@H]1c1ccccc1C(F)(F)F 732435866 SGMPSBRXYKUDEC-HSZRJFAPSA-N 435.449 5.869 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2cnc(-c3ccccc3Cl)s2)ccc1OC 733232693 XKYNAZLNWJGWMW-OAHLLOKOSA-N 441.940 5.083 30 20 IKED CC(C)(C)OC(=O)NC1(c2noc(-c3cccc(COc4ccccc4C#N)c3)n2)CCC1 734233658 PDNSHLWRPWLOHS-UHFFFAOYSA-N 446.507 5.091 30 20 IKED COc1ccc(Cl)cc1NCCC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 744074682 OLQDIQJUONLYCY-ZDUSSCGKSA-N 447.894 5.429 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2ncc(-c3ccccc3C)o2)cc1C 744871583 WILYBKYZMKMWST-UHFFFAOYSA-N 440.503 5.401 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)[C@@H](Sc3ccccc3F)c3ccccc3)o2)cc1 744973880 GFJQYCOMPFWGSN-QFIPXVFZSA-N 445.475 5.324 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 745297027 POZGRXLCGAQRKJ-UHFFFAOYSA-N 443.463 5.164 30 20 IKED CC(C)(CO)[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 747229414 MDVHCZLHAAOLLW-DQEYMECFSA-N 427.548 5.266 30 20 IKED N#CCC[C@@H](NC(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl)c1ccccc1 748571307 ZRFVGSVIFUKMAF-IAGOWNOFSA-N 434.392 6.139 30 20 IKED CC[C@@H](C)n1c(SCC(=O)[C@@H](C#N)c2ccc3ccccc3n2)nnc1-c1ccccc1 750390270 SNXUATADMSWCOQ-XLIONFOSSA-N 441.560 5.433 30 20 IKED C[C@@H](C[C@@H](O)c1cccs1)NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 752288325 VYPHESFVHYIAAK-IFXJQAMLSA-N 426.925 5.307 30 20 IKED C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N 756043085 YCMJSQPWKAKMFQ-FZKQIMNGSA-N 437.330 5.150 30 20 IKED O=C(Nc1cccc(/C=C/C(=O)c2c[nH]c3ncccc23)c1)c1ccc(Cl)cc1Cl 761809138 JRPCDOQSRSZQJJ-RMKNXTFCSA-N 436.298 6.018 30 20 IKED C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCC(c3ncc(C)s3)CC2)c1=S 762167286 BMOZAKXBIMNGSA-UHFFFAOYSA-N 446.045 5.523 30 20 IKED CCCc1cc[n+](/C(C(=S)Nc2cccc(CC)c2)=C(/O)c2ccc(C#N)cc2)cc1 762444646 BHGKWJYIOBOHLS-UHFFFAOYSA-O 428.581 5.684 30 20 IKED C=CCCC(=O)CSC1=N/C(=C\c2cccs2)C(=O)N1c1ccc(OC)c(Cl)c1 762468416 WDQDQNXZSXTYAZ-PDGQHHTCSA-N 446.981 5.422 30 20 IKED Cc1cc(OC(=O)CCc2nc(C)c(-c3ccc(Br)cc3)o2)ccc1C#N 765093457 AOMDYUZUFVSDCT-UHFFFAOYSA-N 425.282 5.131 30 20 IKED N#CCOc1ccc(CSc2nnc(COc3ccccc3)n2-c2ccccc2)cc1 765359842 ZOTKBQJGEBSWMD-UHFFFAOYSA-N 428.517 5.041 30 20 IKED C[C@@H](CC(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)Cc1ccc(Cl)cc1 772637138 JZQHEWGCRPJPKN-DYVFJYSZSA-N 439.968 5.374 30 20 IKED CC(C)N1CCc2c(c3ccccc3n2CC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)C1 774089065 ILHZKXDMQGIXNR-SFHVURJKSA-N 446.551 5.033 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(Oc2cccc(Br)c2)cc1 780152147 CEFIAXURKXQINJ-HNNXBMFYSA-N 437.293 5.785 30 20 IKED COc1ccc(C[C@@H](NC(=O)Nc2ccccc2O[C@H](C)C#N)c2ccccc2)cc1OC 780674931 JSNCDDPQROPLCA-XMSQKQJNSA-N 445.519 5.100 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)[C@H](O)c1ccc(C#N)cc1 780956427 WZNMHYOPZVZBAV-XMMPIXPASA-N 442.494 5.276 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(C(C)=O)cc3)cc2)cc1 783352908 MEMPGOOFNRWWSV-DEOSSOPVSA-N 426.472 5.205 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1cccc(C(F)(F)F)c1)[n+]1ccc(C(CC)CC)cc1 783693564 VBIBTHXLOIXBFR-UHFFFAOYSA-O 449.562 6.273 30 20 IKED N#C[C@H](C(=O)Cc1cc(Cl)ccc1Br)c1nc(-c2ccncc2)cs1 790768757 NZLNCKHKGWHFNH-CQSZACIVSA-N 432.730 5.040 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)Cn2c(Cc3ccccc3)nc3ccccc32)s1 797567335 GQAJQRAJTMJVAU-SFHVURJKSA-N 428.561 5.258 30 20 IKED CN(CC(=O)[C@H](C#N)c1nc(O)c2ccccc2n1)[C@@H](c1ccc(Cl)cc1)C1CCCC1 799174246 KUVMUMKNFFAAPJ-NZQKXSOJSA-N 448.954 5.028 30 20 IKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C(C)C)cc1 799215394 MWVNYMPDHAAYBH-JOCHJYFZSA-N 433.577 5.020 30 20 IKED CC[C@](C)(C#N)C(=O)OCc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1 803783291 ZNJGLDSZJLKHAJ-GOSISDBHSA-N 426.325 5.118 30 20 IKED C#C[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccc(Cl)cc1F 806224592 MLWAYWLJHWVPEI-QGZVFWFLSA-N 446.265 5.474 30 20 IKED N#C[C@H](C(=O)Cc1cccc(OCc2ccccc2Cl)c1)c1cc(C(F)(F)F)ccn1 813211933 TXVRSKVZFWYUPQ-IBGZPJMESA-N 444.840 5.752 30 20 IKED CC(=NNc1ncnc2sccc12)c1sc(-c2ccccc2Br)nc1C 814767144 DFEMYKOLMHBAET-UHFFFAOYSA-N 444.383 5.722 30 20 IKED CCN(CC)c1ccc(N(Cc2cccs2)C(=O)COc2ccc(C#N)cc2OC)cc1 820798967 RSGWNDBJBPGUNY-UHFFFAOYSA-N 449.576 5.087 30 20 IKED CCOc1cc(/C=C\C(=O)c2cnc3sc(C(=O)OC)c(C)c3c2)cc(Cl)c1O 914773301 CWZHKVFOOQLOMA-WAYWQWQTSA-N 431.897 5.045 30 20 IKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc(Cl)c1C 916206335 QEWATXVVQRMGDH-LJQANCHMSA-N 445.972 5.027 30 20 IKED CCOc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)ccc1OCC(C)C 916546041 CFGUPMGXKMEVEF-UHFFFAOYSA-N 444.988 5.540 30 20 IKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)CCN2c3ccccc3Sc3ccccc32)c1 916893609 DOGZYDRKLLDLLI-IBGZPJMESA-N 443.528 5.036 30 20 IKED CCOc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3ccc([C@H](C)CC)cc3)cs2)cc1 916951599 ZHVGZJQSJNSISC-IERDGZPVSA-N 447.560 5.683 30 20 IKED Cc1sc2ncnc(SCC(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c2c1C 917044380 RMKXLKWJHBGOKI-GFCCVEGCSA-N 444.994 5.540 30 20 IKED N#C[C@@H](C(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1)c1nc2ccccc2o1 917510141 RBYQWXFVYLKGCB-PGRDOPGGSA-N 447.288 5.587 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(OCC#N)cc2)cs1 917562369 GGAKXSPLTZLBRU-WDZFZDKYSA-N 437.908 5.280 30 20 IKED COc1cc(C)cc2c1OC/C(=C/c1cccc(NC(=O)c3ccccc3Cl)c1)C2=O 920389171 JAWNSUJOERDIDO-ATVHPVEESA-N 433.891 5.568 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3NC(=O)c3cccs3)cn2)cc1 920474744 MTJBETVHBRUQMX-UHFFFAOYSA-N 440.484 5.312 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)cc2)CCC1)C(F)(F)F 1786032605 WMAWXMYKCYDBHJ-PMACEKPBSA-N 446.444 5.182 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)Nc3cccnc3)cc2)CCC1 1788030448 FPWYBVMGAJZAFO-IBGZPJMESA-N 434.584 5.009 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCCSC4)CCC3)cc2)c1 1792124296 RTHSHZYETRUNCV-NQIIRXRSSA-N 447.604 5.205 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)[C@H]4CC[C@H](C(F)(F)F)CC4)cc3)CCC2)CCC1 1792242380 YBCIDQDYGUZBOR-SAABIXHNSA-N 447.501 5.183 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(F)ccc2s1 1798088199 WIWADEMLQSIZIO-REPLKXPHSA-N 428.573 5.285 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)ccc2C)[C@H]1c1cccnc1 1813768070 JNNVABCCTXEFRP-LADGPHEKSA-N 433.596 5.010 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccsc3[nH]2)n[nH]1 1821436771 QBJMYZAPSANRJK-GOSISDBHSA-N 439.585 5.251 30 20 IKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC2CCC(C)(C)CC2)CC1 1824538835 OOIIFKICGYTHFT-JTHBVZDNSA-N 436.706 5.167 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C(C)=C/c2ccc(C)o2)CC1 1829007921 BVIBUJIGADVUPI-MQMZBWSNSA-N 438.612 5.379 30 20 IKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(N(C)C)cc2)c1 10172647 SMJMRXKYYWVHRY-UHFFFAOYSA-O 444.624 5.197 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cccc(CC)c2)cc1 10174798 FYRPUGGVOIVHQC-UHFFFAOYSA-O 429.609 5.639 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccccc2F)cc1 11171674 LNYFCVUDGZLSJI-UHFFFAOYSA-O 427.590 5.795 30 20 IKED O=C(/C(=C(\S)Nc1cccc(Br)c1)[n+]1ccccc1)c1ccc(Cl)cc1 15247557 YVPGSUKAVPOENZ-UHFFFAOYSA-O 446.777 5.441 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C)c1 16504503 DRXSNSUEMQGSSF-UHFFFAOYSA-N 440.952 5.282 30 20 IKED C=CCn1c(=O)c2ccccc2n2c(SCc3nc4ccccc4c4ccccc34)nnc12 20043604 SKSPOQGGAYCMQZ-UHFFFAOYSA-N 449.539 5.224 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1ncc(C(F)(F)F)cc1Cl 21551209 ZPLLGIJTFPFPAN-LBPRGKRZSA-N 443.878 5.190 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cccc3ccccc23)c1 22693248 HAKRTMVXGHRABX-UHFFFAOYSA-O 433.503 5.765 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)s1)=C(/S)Nc1cccc(Cl)c1C 22728284 YKHMABCYXFPKDB-UHFFFAOYSA-O 430.018 5.919 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCc2nc(=O)c3c(-c4ccco4)csc3[nH]2)n1 26173251 BFTHRPSBXDXJQX-UHFFFAOYSA-N 448.451 5.131 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Oc2ccc(NC(=O)c3ccccc3)cc2)c1C#N 27151984 RWASANPNJQFQNK-UHFFFAOYSA-N 429.501 5.024 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1cccc(C)c1 28811013 ZDGGDQZIHFIBCQ-UHFFFAOYSA-O 434.541 5.112 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C(=O)NC1CCCCCC1)C(C)C 32785472 DOYMPSWRIIJSJT-JOCHJYFZSA-N 426.630 5.011 30 20 IKED C=CCn1c(C)nnc1SCc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1 36855915 GJUYAQGTIXOCPV-UHFFFAOYSA-N 448.017 5.476 30 20 IKED CSc1nc(O)c(C(=O)NCc2ccc(Oc3cc(C)cc(C)c3)c(C)c2)cc1C#N 63342090 MLTOLKRMYNQZGA-UHFFFAOYSA-N 433.533 5.028 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(OCc2ccccc2)cc1 63401468 AYBRSWWUCGMWOU-UHFFFAOYSA-N 431.492 5.072 30 20 IKED C=CCn1c(SCCOCC(F)(F)F)nc2scc(-c3cccs3)c2c1=O 71945022 CAVHYXNEFLOGDJ-UHFFFAOYSA-N 432.514 5.044 30 20 IKED COc1cccc(CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1OC 107648571 POJZKJXLJNEDSZ-OAQYLSRUSA-N 434.923 5.584 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 109878350 QPWXEPSTLWXUOR-UHFFFAOYSA-N 440.981 5.539 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2c(C(C)C)noc2n1 195690072 JHFFJMRSFUBALE-INIZCTEOSA-N 436.924 5.922 30 20 IKED CN1CCC[C@@H](CNCc2cccc(OCCCC#N)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 237120024 IYLFGIUDBBURLJ-URXFXBBRSA-N 445.529 5.561 30 20 IKED Cc1ccc(CNCc2cccc(OCc3ccccc3C#N)c2)c(OC[C@H]2CCOC2)c1 237881802 VJMQCGKKIUOFKU-QHCPKHFHSA-N 442.559 5.151 30 20 IKED N#C[C@H](C(=O)CCc1cccc(Br)c1)c1nc(-c2ccc(Cl)cc2)cs1 301761017 KWUCSYVJWOHOGI-QGZVFWFLSA-N 445.769 6.035 30 20 IKED C[C@@H](NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1nc(C(F)(F)F)cs1 426239615 STBPJJWVLBMAPM-KCJUWKMLSA-N 429.361 5.355 30 20 IKED Cc1cc(NC(=O)N[C@H](CCCC#N)c2ccccc2)n(-c2ccc(C(F)(F)F)cn2)n1 431697229 HCBKOQZCOGUOEB-GOSISDBHSA-N 442.445 5.151 30 20 IKED Cc1occc1C(=O)Nc1cc(NC(=O)N[C@H](CCCC#N)c2ccccc2)ccc1F 432721549 XWWJYYRVRLQOEC-OAQYLSRUSA-N 434.471 5.536 30 20 IKED C/C(=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1nc(=O)c(C#N)c(C)[nH]1 435337874 ZCFZKIOEZMJVIF-XYOKQWHBSA-N 439.302 5.070 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 438510911 JAGLUJTUOCBIBQ-UHFFFAOYSA-N 445.523 5.088 30 20 IKED CC(C)(C)OC(=O)C1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 438671675 YYYANOBPCJLEFJ-UHFFFAOYSA-N 439.487 5.075 30 20 IKED CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)N[C@@H](CCC#N)c1ccccc1 440251503 BVKATVGOQVGWOP-SANMLTNESA-N 449.558 5.726 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C1CCCCC1 442099072 RMIIVWMDYPOSCE-HNNXBMFYSA-N 425.916 5.027 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccccc1CN(CC)C(C)=O)c1ccc(C(F)(F)F)cc1 442206039 FZIHCCJKYMUMBY-OAQYLSRUSA-N 447.501 5.903 30 20 IKED C=CCSc1ccccc1C(=O)Nc1ccc(N2CCOC(C)(C)C2)cc1OCC 444542046 IABJSSGKPWIFLD-UHFFFAOYSA-N 426.582 5.231 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(Cl)c(Br)c2)c1C#N 445566660 ZBGJNOZHXHQWHN-UHFFFAOYSA-N 447.745 5.134 30 20 IKED C=CCNC(=O)c1ccc(NCc2cnc(-c3ccc(Br)cc3)s2)cc1 446881666 UFPDQKFCDCYANN-UHFFFAOYSA-N 428.355 5.101 30 20 IKED C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1c1ccc(COC)o1 460386767 NHUBPNOWBGWGIH-QFIPXVFZSA-N 436.556 5.131 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC=C(COC)CC1 460548434 CPEBQRAHEPKQPL-GOSISDBHSA-N 430.980 5.047 30 20 IKED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@@H]1c1cccc(Br)c1 460770728 MQVCZMCQHOATKQ-KFKAGJAMSA-N 431.378 5.056 30 20 IKED C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)c1cccc(Cl)c1 460945938 CFWGGPAWQVOOEH-HNNXBMFYSA-N 434.931 5.021 30 20 IKED CCCNc1ccc(C#N)cc1NC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C 461674551 MUDOESVUXCAHIM-UHFFFAOYSA-N 436.537 5.082 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(Cc2ccc(F)c(F)c2)CC1 469663720 QXSCXLPBXFUVEH-INIZCTEOSA-N 429.536 5.703 30 20 IKED O=C(c1c(F)cccc1F)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469742904 RRAHSOHAKQGHKU-HNNXBMFYSA-N 439.302 5.216 30 20 IKED N#Cc1cccc(-c2nnc(CN3CCCCC[C@H]3c3ccc(C(F)(F)F)cc3)o2)c1 471005525 KWBMVXWMECQDGF-FQEVSTJZSA-N 426.442 5.744 30 20 IKED CSc1cccc([C@H](NCc2nnc(-c3ccc(C#N)cc3)o2)c2ccc(F)c(F)c2)c1 471643395 HXNKGYQQKFAIJH-QHCPKHFHSA-N 448.498 5.488 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1[C@@H](C)CN(Cc2ccccc2)C[C@H]1C 473821712 GIKOZIZQNPFJAM-CMCWBKRRSA-N 436.625 5.359 30 20 IKED CC(C)(C)c1nsc(Oc2ccc(NC(=O)c3ccc(CC#N)cc3)cc2Cl)n1 474401779 HMMYCARCSJWVOM-UHFFFAOYSA-N 426.929 5.600 30 20 IKED CCCOc1c(Br)cc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)cc1OC 474432426 KYYDPJJFSRPKQO-ZDUSSCGKSA-N 437.359 5.316 30 20 IKED N#CC[C@H](CC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1ccccc1 475669765 WBPKYEIJDNUUAX-RUZDIDTESA-N 434.543 5.302 30 20 IKED C=CCn1c(SCC(=O)Cc2ccc(Br)cc2)nnc1-c1ccccc1C 475874613 NXXBMWDZKBYHJV-UHFFFAOYSA-N 442.382 5.106 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3ccc(C(C)(C)C#N)cc3)C2)n1 477091294 QWKJCVRUSQXPNS-IBGZPJMESA-N 445.588 5.640 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(C(F)(F)F)c1 481161440 AUCKKDJCLORJEQ-QMMMGPOBSA-N 425.369 6.405 30 20 IKED CC[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccccc1OCC(=O)N1CCCC1 481928951 TWAUYZMTEIQJKL-RPBOFIJWSA-N 431.580 5.068 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 481973901 ATXBHKXZUKZRIC-NHCUHLMSSA-N 439.441 5.195 30 20 IKED CCOc1ccccc1Oc1ccccc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 482531918 QQRVWXJTJQSEEX-UHFFFAOYSA-N 442.515 5.433 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 482809563 CCHMQXXBZUQPLQ-UHFFFAOYSA-N 447.494 6.164 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccccc3NC(=O)N3CCCC3)c2)cc1 484622688 KXQJJOLWKCHKKU-UHFFFAOYSA-N 426.476 5.231 30 20 IKED Cc1ccc(F)c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1Br 484709653 NRSRJASYLOXAJK-UHFFFAOYSA-N 439.284 5.600 30 20 IKED CCc1c(NC(=O)N[C@@H](CCC#N)c2ccccc2)cnn1-c1ccc(C(F)(F)F)cc1 484845855 PMLSWRUZNPDJAG-IBGZPJMESA-N 441.457 5.620 30 20 IKED C=CCSc1ccccc1C(=O)NCC1(c2cc(Cl)ccc2OC)CCOCC1 485462180 IFHFIWXOUYCPCM-UHFFFAOYSA-N 431.985 5.105 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(Br)ccc3Cl)s2)cc1 487445932 OXTHIBDANAUIFK-UHFFFAOYSA-N 432.730 5.274 30 20 IKED C=CCC[C@H](C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)c1ccccc1 489440177 SAJSDWFALRCTDR-SFHVURJKSA-N 444.553 5.377 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)cc1 490628981 HXTDLGRKPXYKCR-UHFFFAOYSA-N 442.544 5.023 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1 490648467 KLIMHWWUSPWDTN-UHFFFAOYSA-N 442.906 5.627 30 20 IKED Cc1ccc([C@@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1[N+](=O)[O-] 492935370 DARRFFLVLKMJDY-GOSISDBHSA-N 444.491 5.431 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)[C@@H]1OCCc2sccc21 494965704 ZBASJCUJNISKKR-HJPURHCSSA-N 433.533 5.545 30 20 IKED N#CCN(C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)c1ccccc1 497352805 SELJDLXNRHDTTB-UHFFFAOYSA-N 446.513 5.526 30 20 IKED N#Cc1ccc(SCC(=O)Nc2ccc(Br)cc2F)cc1C(F)(F)F 499521260 WKYYVSOZUILINR-UHFFFAOYSA-N 433.224 5.209 30 20 IKED N#CC1(CCCN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)CCOCC1 499578130 YIEVLQXRLSMGBN-RUZDIDTESA-N 438.015 5.148 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)N[C@H]3CCc4c3ccc(Cl)c4Cl)CC2)c1 501046093 LDYAEBQXCCUJJG-FQEVSTJZSA-N 430.335 5.105 30 20 IKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)c3ccccc3n2)cc1OC 505457381 KPRLRSWXUSDJEC-LJQANCHMSA-N 449.466 5.550 30 20 IKED CN(C)c1nc2sc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2s1 505700344 JMBARJUYVTXNRS-VIFPVBQESA-N 446.529 5.316 30 20 IKED C[C@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 506311449 TWSNDXXGBZQXKN-OYRHEFFESA-N 448.611 5.210 30 20 IKED C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(c2ncc(C)s2)CC1 508864791 QNFLZHKTSPRVMC-IBGZPJMESA-N 437.613 5.370 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC([C@@H]2CCCO2)CC1 508878833 BTTCBCRDEJHEOM-DVECYGJZSA-N 432.568 5.153 30 20 IKED CCN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 510907569 YDPRMLFLBUXSHG-JOCHJYFZSA-N 443.503 5.353 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@H](C)N[C@H](C)c1ccc(C#N)cc1F 512642938 ULSIGGJYWULTNU-OLZOCXBDSA-N 444.373 6.304 30 20 IKED Cc1nn(-c2ccccc2)cc1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1 512707237 JHJOQCWANCENIK-UHFFFAOYSA-N 438.556 5.275 30 20 IKED O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 515098332 PQKNYDJLVJCVJC-UHFFFAOYSA-N 444.234 5.486 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2cnco2)cc1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 516465527 UYDFSBRDEURFBE-XVPJOVGPSA-N 429.545 5.756 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(C1CC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 517733760 UQFFSBWEIXEJFA-GFCCVEGCSA-N 428.863 5.145 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CNC(=O)c3ccc(Cl)cc3Cl)cc2)c1 518237872 IXBZDHXBMISQFL-UHFFFAOYSA-N 440.286 5.026 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 518659588 WNGFELJAYGHWLG-MRXNPFEDSA-N 432.505 5.842 30 20 IKED CC(C)Oc1ccc(Cc2noc(C[C@@H](CC#N)c3ccccc3)n2)cc1Br 519030810 QZEYVVBAFCXQOM-GOSISDBHSA-N 440.341 5.450 30 20 IKED CC(C)(C)n1ncc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1C(F)(F)F 519122818 ZGBVCNNKORLRIQ-UHFFFAOYSA-N 428.414 5.573 30 20 IKED CSc1ccc([N+](=O)[O-])c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 520427645 SSUIBKIDUJVURP-LBPRGKRZSA-N 431.445 5.208 30 20 IKED C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 521047117 NEPZJEIGKAXHSX-SFHVURJKSA-N 439.987 5.044 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1 522602221 YUWYXUWCWUVIEB-UHFFFAOYSA-N 427.570 5.496 30 20 IKED Cc1cc(C(=O)CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(C)s1 524406513 IFMIAWUMIJAUIJ-UHFFFAOYSA-N 432.545 5.726 30 20 IKED C=CCn1c(SCc2csc(-c3ccccc3F)n2)nnc1-c1ccc(F)cc1 524456848 PBAJINYDXDXGQN-UHFFFAOYSA-N 426.517 5.825 30 20 IKED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)Sc2nnc(-c3cccc4ccccc34)o2)CC1 525005232 VQOBIKUKRAXEKK-VTPMOLMCSA-N 434.565 5.301 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)c1cccc(Sc2cccc(Br)c2)n1 525556009 OOIATNQFAODBBF-UHFFFAOYSA-N 438.350 5.139 30 20 IKED C=C[C@H](CC(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccccc1 535363583 CMUGNCNBWGPJLY-WOJBJXKFSA-N 430.523 5.544 30 20 IKED Cc1cccc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1C(=O)N1CCCC1 536981138 UAEARRSWJDBWCY-UHFFFAOYSA-N 438.531 5.091 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1ccc(F)cc1F)C(C)(C)C 537124942 OJCNCVQWGCALKA-OYHNWAKOSA-N 431.552 5.675 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)cc1 537859011 HOAYSZHVTJGOPN-UHFFFAOYSA-N 429.307 5.138 30 20 IKED CC[C@H](C)c1ccc2nc(N(Cc3ccccc3)C(=O)[C@@H](C)n3cnc(C#N)n3)sc2c1 540602508 KPAJNPIBMVKBOA-DLBZAZTESA-N 444.564 5.067 30 20 IKED Cc1cccc(-n2c(SCCCC3(C#N)CCOCC3)nc3ccccc3c2=O)c1C 540611928 YSZQEDNSWHPIDQ-UHFFFAOYSA-N 433.577 5.195 30 20 IKED C=CCn1c(SCC(=O)Cc2ccccc2Br)nnc1-c1ccccc1C 542216510 UGYFNPFBTXLFNR-UHFFFAOYSA-N 442.382 5.106 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)cc1 542672219 XCBRRHWNLAAUJS-HTAPYJJXSA-N 428.492 5.369 30 20 IKED Cc1nn(CC(F)F)c(C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 546869584 BUFRPYBKSRWBOU-UHFFFAOYSA-N 444.869 5.121 30 20 IKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccc(F)cc1F 548644102 MTIGOWDKHMQOFG-UHFFFAOYSA-N 429.263 5.099 30 20 IKED C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC(OC2CCC(C)CC2)CC1 549291301 XFSBPXRZZNJNOD-UHFFFAOYSA-N 438.616 5.040 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 552753992 ZYFOCDVFCCXEJR-UHFFFAOYSA-N 426.476 5.008 30 20 IKED CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=O)c1cnccc1C#N 561639567 IGQREORJSDDYQO-JOCHJYFZSA-N 439.437 5.254 30 20 IKED CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2CC#N)c1 574265147 JXEYKTQLDBURQE-UHFFFAOYSA-N 447.560 5.000 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@]2(CO)C[C@@H]2c2ccccc2)cc1Cl 582575432 YOQJNSJZLIUIEX-PLXFJCCSSA-N 445.950 5.283 30 20 IKED N#C[C@@H](C(=O)c1oc2ccccc2c1COc1ccccc1Cl)c1nc2ccccc2o1 588348861 AXBKXNZBHTUEPG-INIZCTEOSA-N 442.858 6.296 30 20 IKED C=CCN(C(=O)c1csc(Cc2ccc(F)cc2)n1)c1nc(-c2ccccc2)cs1 588785673 RDMJXTKLXYSZFU-UHFFFAOYSA-N 435.549 5.829 30 20 IKED CN(C(=O)c1cccc(C#N)n1)[C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 589782670 WMNJAKUUMBAYAS-FQEVSTJZSA-N 440.728 5.231 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(Cc1ccc(F)cc1F)C1CC1 590855268 OCBCAUSPYYEUDD-IMRBUKKESA-N 444.366 5.548 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCCCc2nc(C)cs2)cc1 608916618 MOIKQUPELQFIFZ-UHFFFAOYSA-N 436.537 5.269 30 20 IKED Cc1ccccc1-c1nc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cs1 608931559 WBLQPQXNRXHSOF-UHFFFAOYSA-N 449.586 5.386 30 20 IKED C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 609104570 HXTWFUWFSQQRBD-AOMKIAJQSA-N 443.478 5.123 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3csc(-c4cnccn4)n3)cc2Cl)cc1 609115989 RUHQDJSOQZSGMW-UHFFFAOYSA-N 433.880 5.170 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1nc(C(C)(C)C)cs1 609207531 CHHIATKJXUNYPA-UHFFFAOYSA-N 434.565 5.521 30 20 IKED Cc1nc(NC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)sc1SCC#N 609297932 VNPAEBSHOSHQDY-UHFFFAOYSA-N 437.518 5.649 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O 609556050 UCZUZWAUUWKUIW-KXBFYZLASA-N 442.972 5.003 30 20 IKED N#CCCn1cc(-c2csc(-c3ccc(NC(=O)c4ccco4)cc3)n2)c2ccccc21 609571348 JWTAYLWQMCKOJW-UHFFFAOYSA-N 438.512 6.191 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCc3cc(F)ccc3[C@@H]2C)cc1 610018809 SOQWGSXXAYEZTK-INIZCTEOSA-N 431.467 5.649 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](c1ccccc1)N1CCCCC1=O 610225689 YYNNZVIFXYTDAS-SANMLTNESA-N 439.515 5.351 30 20 IKED N#CCn1c(C(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)cc2ccccc21 611075874 RWDVXMHNYCTYRP-LJQANCHMSA-N 445.567 5.081 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)CC1 619713662 LRMVTTXACIWYOI-HSZRJFAPSA-N 431.536 5.138 30 20 IKED C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 670198821 WOJQXJRKKIUYIF-IBGZPJMESA-N 431.515 5.109 30 20 IKED O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674616103 FDZFDJWHZFLQSE-YESZJQIVSA-N 434.355 5.297 30 20 IKED CCCCc1oc2ccccc2c1/C=C\C(=O)N[C@H](C#N)c1cc(OC)c(OC)c(OC)c1 727646793 FAMZGPHAXSPBHF-GHYICZDASA-N 448.519 5.195 30 20 IKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)OCc1nccn1CC(F)(F)F 728621233 KKBUXHMTYHFPPM-UPHRSURJSA-N 446.269 5.240 30 20 IKED CC(C)n1ncc2c(C(=O)OC[C@@H](C#N)Cc3ccc(F)cc3)cc(-c3ccccc3)nc21 729894201 KINBZSXQPKVUIS-LJQANCHMSA-N 442.494 5.358 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(C2CCC2)C1=O)Nc1ccccc1F 730460845 HCJIGACOUUKIDR-QFIPXVFZSA-N 447.535 5.492 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl 730686982 KRMZNUDLIUTHQL-IFXJQAMLSA-N 431.363 5.644 30 20 IKED N#C[C@H](C(=O)CCc1nc2cc(Cl)ccc2s1)c1nc2cc(Cl)ccc2s1 730690863 YOXAFKVYPCGTIR-GFCCVEGCSA-N 432.357 6.022 30 20 IKED CC(C)(C)OC(=O)NC1(c2noc(-c3ccc(OCc4ccccc4C#N)cc3)n2)CCC1 731807768 OIFZPBJYBPWJEU-UHFFFAOYSA-N 446.507 5.091 30 20 IKED CCNC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 731994537 TXSRCLNBYLWGQL-UHFFFAOYSA-N 433.895 5.200 30 20 IKED C=CC[C@@H](NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccncc1 734359756 AQRHJYLJAVQMBE-DHIUTWEWSA-N 433.939 5.030 30 20 IKED Cc1cccc2c(O)nc(COC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)nc12 735165187 ASWYSTMKEMWVHL-UHFFFAOYSA-N 445.862 5.318 30 20 IKED CC(=NNc1ncnc2scc(-c3ccc(F)cc3)c12)c1c(Cl)nc2ccccn12 737428370 YQZFIYBBUQFOPA-UHFFFAOYSA-N 436.903 5.635 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)NC(c2cccs2)c2cccs2)ccc1OC 739020725 FEHZPOYMRKYEAF-INIZCTEOSA-N 441.578 5.088 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c(OC)c1 740059261 IICNSXVTWXNMJP-QFIPXVFZSA-N 447.560 5.351 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C[C@@H](C)c1ccccc1C(F)(F)F 744029731 UOZABUZTQBRJFR-BEFAXECRSA-N 430.470 5.671 30 20 IKED C[C@@]1(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)CCCN(C(=O)c2ccccc2)C1 744034630 CTSFEYHEHBBPOC-UZUQRXQVSA-N 437.952 5.068 30 20 IKED C=CCN(Cc1cccc(C#N)c1)Cn1nc(-c2ccccc2)n(Cc2ccco2)c1=S 745162728 TVOSHMISKTWAPW-UHFFFAOYSA-N 441.560 5.240 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCC(CN(CC)C(=O)OC(C)(C)C)CC2)c1 746028035 NKHQJFFXYXSZEC-UHFFFAOYSA-N 431.577 5.142 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cnn(-c3ccccc3)c2)cs1 746347244 YGXULEYJERLZGA-FMIVXFBMSA-N 432.480 5.049 30 20 IKED COc1ccc(/C=C/C(=O)c2cc3cc(Br)ccc3o2)cc1OCCCC#N 747361778 XKBDMWBIAMAPFL-QPJJXVBHSA-N 440.293 5.783 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1cc(C)ccc1OC)[n+]1ccc(C(CC)CC)cc1 748293612 PIAFHJXRDYMTCU-UHFFFAOYSA-O 425.618 5.572 30 20 IKED C[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1ccc(N2CCOC2=O)cc1 748297333 NMOCWONETJACHK-QGZVFWFLSA-N 443.528 5.157 30 20 IKED O=C(Cc1cc(F)cc2c1OCOC2)O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 750200852 CPYMSTCENMEDBA-KRWDZBQOSA-N 438.295 5.100 30 20 IKED N#CCCn1cc(C(=O)CN2CCCCC[C@H]2C[C@@H](O)c2cccs2)c2ccccc21 750835142 HUHZNIOEYMHLOI-WMZHIEFXSA-N 435.593 5.167 30 20 IKED CC(=O)N(c1nc(COC(=O)c2ccc(Cl)c(C#N)c2)cs1)c1ccc(C)cc1C 754906979 UYCJZJYKGZBLCY-UHFFFAOYSA-N 439.924 5.327 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(Br)cc(C(F)(F)F)c1 756510623 WIWGKVHYXBBUEJ-AWEZNQCLSA-N 445.622 5.082 30 20 IKED N#CCOc1cccc(CC(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)c1 760386334 JHBQHKQOUAQXAU-UHFFFAOYSA-N 428.275 5.264 30 20 IKED CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cn(CCCC#N)c3ccccc23)cc1 767537866 HYULSNLTXHYLKZ-UHFFFAOYSA-N 440.547 5.447 30 20 IKED N#CC(CCOC(=O)c1ccc(-c2cncnc2)cc1F)(c1ccccc1)c1ccccc1 775093686 HSPPWADRSONPQW-UHFFFAOYSA-N 437.474 5.339 30 20 IKED C[C@H](OC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nnc(-c2ccc(F)cc2)o1 783684780 XEBKFAGVXXRAFG-INIZCTEOSA-N 443.434 5.244 30 20 IKED N#C[C@@H](COC(=O)c1csc(Cc2ccccc2)n1)Cc1ccccc1Br 786638751 PIJIWEOYUXZKTK-INIZCTEOSA-N 441.350 5.036 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(O[C@H](C)c2ccccc2)cc1 788353271 ZBQZXGVWZGULDJ-KBMIEXCESA-N 440.543 5.913 30 20 IKED C#Cc1cccc(NC(=S)Nc2ccc(C)c(Oc3ncccc3Br)c2)c1 790616843 ZRZIFTXWZLDVDS-UHFFFAOYSA-N 438.350 5.735 30 20 IKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccsc1 790759864 UXRNAGILFWDIHN-OAHLLOKOSA-N 441.500 5.137 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(OC(F)(F)F)cc1 794754598 RFPUKFABDGRHTB-UHFFFAOYSA-N 429.423 5.214 30 20 IKED CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cccc(OCC#N)c1 797434828 AQUNHHGYNBYISB-UHFFFAOYSA-N 430.291 5.926 30 20 IKED O=C(NOC/C=C\Cl)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 810208044 RZMNDIKDSXCLLF-JWXWKVPASA-N 444.681 5.311 30 20 IKED Cc1c(C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)sc2ccc(C#N)cc12 814106701 YEMJJVPJSLSVEV-UHFFFAOYSA-N 431.561 5.738 30 20 IKED CN(CCC#N)c1ccc(/C=C2/SC(=S)N(CCSc3ccccc3)C2=O)cc1 814268647 YKDCAPWZUYAPRZ-CAPFRKAQSA-N 439.631 5.030 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(Cc3cccc(F)c3)CCOCC2)cc1 814493364 MTMIEOPFYKHDKM-VWLOTQADSA-N 428.507 5.459 30 20 IKED CCC(CC)c1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)NC(C)C)cc1 839407008 MWMOSFZVIFEMIK-UHFFFAOYSA-O 428.622 5.081 30 20 IKED N#Cc1c(Br)cccc1OCc1nc(-c2cccnc2Oc2ccccc2)no1 904454598 UJCMNYYRWKUKQN-UHFFFAOYSA-N 449.264 5.137 30 20 IKED COc1ccc(-c2nn(CN(C)Cc3ccc(C#N)cc3)c(=S)n2C2CCCCC2)cc1 914783035 CJENBJRGVCZINJ-UHFFFAOYSA-N 447.608 5.556 30 20 IKED Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 916057235 LVOMVTWTKAIUNR-OAQYLSRUSA-N 445.881 6.350 30 20 IKED CN(Cc1ccc(Cl)nc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 916683915 MJIOYMVQFPRZIW-IBGZPJMESA-N 425.319 5.708 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)n1 917252073 FLCMFAHDOLADSK-HNNXBMFYSA-N 448.514 5.390 30 20 IKED Cc1ccc(C)c(OC2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)c1 919904418 LWSMLMMPSBPFAQ-SANMLTNESA-N 439.559 6.034 30 20 IKED CCCN(Cc1nc(O)c2sccc2n1)C(=O)Nc1ccccc1S[C@H](C)CC#N 1116014306 IEDGYUGBEHZDJB-CQSZACIVSA-N 441.582 5.235 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Nc3ccccc3)cc2)CCC1 1789467977 NAFALFXXZOJOEZ-YKSBVNFPSA-N 431.580 5.390 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)/C(C)=C/c3ccc(C)o3)cc2)CCC1 1789580965 HKYRHYYEBFRJQO-VHEBQXMUSA-N 436.552 5.108 30 20 IKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCC#N)CCC3)cc2)cc1Cl 1790609213 NEIYDUBYTFMFEE-UHFFFAOYSA-N 439.943 5.179 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@]4(C)CC4(F)F)cc3)CCC2)c1 1792248278 PTQXLIBUFZTMSZ-QMHKHESXSA-N 437.490 5.107 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C3CC3)cc2)[C@@H]1c1cccnc1 1802499127 FWOKVPFQOFUUDD-JWQCQUIFSA-N 445.607 5.271 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2ccc(C)cc2)[C@@H]1c1cccnc1 1802501393 MZGFMVMGCGITKH-AOYPEHQESA-N 447.623 5.021 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2C2CC2)[C@@H]1c1cccnc1 1810501362 BXRUBPKKWWOALO-WIOPSUGQSA-N 445.607 5.271 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)[C@H]1c1cccnc1 1812902404 TWUOCWKFBYQJSQ-HIGZBPRKSA-N 439.644 5.296 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc(CCCCC)s2)[nH]n1 1821925000 KXEXHSHTUGHKFK-AEFFLSMTSA-N 443.617 5.117 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccccc2F)CC1 1832393339 NGMAXSVUCUGIHD-ILBGXUMGSA-N 440.603 5.146 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)Nc1cccc(Cl)c1 10831175 PYUWJXCICGUPHI-UHFFFAOYSA-O 438.016 6.364 30 20 IKED COc1ccccc1NC(=O)c1cc2ccccc2cc1OCc1ccc(C#N)cc1F 10907066 TWDGVQRQZMWAJQ-UHFFFAOYSA-N 426.447 5.690 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)nc2sc(C)c(C)c2c1=O 11149098 PYBNIPGAPBDROK-QGZVFWFLSA-N 441.622 5.305 30 20 IKED C=CCn1c(SCc2nc(-c3cccc(Cl)c3)no2)nnc1-c1ccc(OC)cc1 17710160 JJUUYYFIMXAXHA-UHFFFAOYSA-N 439.928 5.135 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2Cl)nc2cc(Cl)ccc2c1=O 21831442 FLBKDCSMUWXKRN-CYBMUJFWSA-N 448.375 5.317 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)nnc1-c1ccc(F)cc1 22619923 XIWUWQZKZLPQGH-ZDUSSCGKSA-N 441.557 5.038 30 20 IKED C=CCc1ccccc1OC[C@H](O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 24099840 CKVULZHLLRTEGJ-IBGZPJMESA-N 446.576 5.022 30 20 IKED C=CCNC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)cc1 29812017 GLFHXMDJZVXJGF-SFHVURJKSA-N 430.508 5.226 30 20 IKED CC(C)OCc1ccccc1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1 30370130 GLTZWONQFZIUHZ-UHFFFAOYSA-N 430.573 5.706 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1/C(O)=N/c1nc(CN2CCC[C@H](C)C2)cs1 30556030 RWYZCRHUNAZENJ-AWEZNQCLSA-N 444.601 5.506 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCCCOc3ccc(F)cc3)c2)cc1 58424786 BBVFKDJQIAYPKK-UHFFFAOYSA-N 433.483 5.061 30 20 IKED N#Cc1ccc(/C=C2\CC3(C/C(=C\c4ccc(C#N)cc4)C2=O)C(=O)Nc2ccccc23)cc1 206411350 YTEJROWLENHHFL-RNIAWFEPSA-N 441.490 5.150 30 20 IKED C=CCSC1=N/C(=C/c2ccc(N(C)C)cc2)C(=O)N1c1ccc(OC(F)F)cc1 212033460 HRTWVLCSFAJCQR-XMHGGMMESA-N 429.492 5.017 30 20 IKED N#Cc1ccc2ncc(CNCc3ccc(Br)cc3Oc3ccccc3)n2c1 236604526 DFYJKMRBUKAELX-UHFFFAOYSA-N 433.309 5.051 30 20 IKED O=C(NCc1ccc(F)cc1C(F)(F)F)Nc1ccc(OC(F)F)cc1OC(F)F 410142230 KEQWUDUMNIGDPG-UHFFFAOYSA-N 444.278 5.369 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 430300800 HLURHGMXNMRTGQ-FQEVSTJZSA-N 430.321 5.143 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 430309109 ZHXAHNGWVMJCGK-HXUWFJFHSA-N 430.321 5.143 30 20 IKED N#CCCn1cc(CN2CCc3ccccc3[C@@H]2Cc2ccccc2)c(-c2ccncc2)n1 435129923 NJHMXDQTAWDXFH-MHZLTWQESA-N 433.559 5.201 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 437872032 NGUUCPIQGSWWGM-RPWUZVMVSA-N 442.494 5.382 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1 439330995 ZDNXTNRHSFADRU-QHCPKHFHSA-N 446.938 5.783 30 20 IKED N#Cc1cc(NC(=O)N2CC[C@H]([C@H]3CCOC3)C2)ccc1Oc1ccc(C(F)(F)F)cc1 442211230 DIBGKOKHDUYLJI-HOTGVXAUSA-N 445.441 5.260 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 443940078 RWDDUXGHHGCHQX-CVEARBPZSA-N 438.528 5.630 30 20 IKED N#Cc1ccccc1Oc1ccc(N2C(=O)N[C@H](c3ccc4ccccc4c3)C2=O)cc1F 446159031 VNLZDAHHIWWLTP-XMMPIXPASA-N 437.430 5.440 30 20 IKED CC[C@@H](Nc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1)c1ccc(C#N)cc1 447600710 NDAFVVFZEKPCRY-HTAPYJJXSA-N 435.959 5.788 30 20 IKED Cc1cccc([C@@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)c1 461872281 RMTBIZUFRQLOCD-ZEQRLZLVSA-N 427.552 5.036 30 20 IKED Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 464475626 OFACJIFOIACJST-ZDUSSCGKSA-N 440.208 5.861 30 20 IKED CC(C)[C@H]1C[C@@H](NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c2ccccc21 469133225 YJYNEYMZAQVKRI-NHCUHLMSSA-N 444.535 5.023 30 20 IKED CO[C@H](CCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C(F)(F)F 469163980 WLBGGUFDBVVRMD-SJLPKXTDSA-N 425.838 5.084 30 20 IKED Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469949738 DJMISMFGLVJJDT-IBGZPJMESA-N 433.552 5.107 30 20 IKED Cc1ccccc1-c1noc(C)c1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 475013106 BOZNIMMFRXJOTF-UHFFFAOYSA-N 436.471 5.335 30 20 IKED C=CCOc1c(Br)cc(CNc2cnn(CC(C)C)c2C(F)F)cc1OC 478326037 JICKFLNEFYRSFP-UHFFFAOYSA-N 444.320 5.425 30 20 IKED CCN(C(=O)COc1ccc(C#N)cc1)[C@H](c1cccnc1)c1csc2ccccc12 480970718 LRPHKKAGMGXLOB-RUZDIDTESA-N 427.529 5.185 30 20 IKED Cc1c(C2CCCCC2)noc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 485519359 OCQZEFMQNDREFK-UHFFFAOYSA-N 449.511 5.006 30 20 IKED N#Cc1ccc(-c2nnc(CN(Cc3ccccc3Br)C3CCCC3)o2)cc1 486800007 QNGAUQYUJABHKU-UHFFFAOYSA-N 437.341 5.316 30 20 IKED Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(CC#N)cc3)n2-c2ccccc2)cc1 489412000 XJZHWQHADUPLIC-UHFFFAOYSA-N 439.544 5.040 30 20 IKED C=CCN(C(=O)c1cccn(C)c1=O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 497550500 QMDUSADZXARRAF-UHFFFAOYSA-N 427.529 5.009 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2coc(-c3ccc(Br)cc3F)n2)n1 498034265 XPMXCUWINFGATJ-LBPRGKRZSA-N 434.290 5.313 30 20 IKED N#Cc1ccc(CN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)C2CC2)cc1 499298777 DUCIIUZZXAAFDI-UHFFFAOYSA-N 440.330 5.644 30 20 IKED C[C@H](CC(=O)N[C@H](C#N)c1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1 499391849 BWXPORQAGIKMJJ-SJKOYZFVSA-N 425.248 5.343 30 20 IKED N#Cc1ccc(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1C(F)(F)F 499473952 WHAFSCAJLPXAKE-UHFFFAOYSA-N 439.768 5.375 30 20 IKED N#CCc1ccc(NC(=O)[C@H](Oc2ccc(Br)cc2F)c2ccccc2)cc1 499736295 DWTULAFBVQBINV-OAQYLSRUSA-N 439.284 5.413 30 20 IKED N#CCCCCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc3c(c1)OCO3)CCC2 505094943 WHAAZURJVLXQKT-XDJHFCHBSA-N 439.515 5.264 30 20 IKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)N[C@H](C)c1ccc(C#N)cc1)CC2 505332143 BUSUQTCVCKCCDL-GYCJOSAFSA-N 447.560 5.055 30 20 IKED Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 507889566 PEFXDQOUIKEGSO-UHFFFAOYSA-N 439.471 5.787 30 20 IKED COc1ccc(-n2c(SC[C@H](C#N)CCC#N)nnc2-c2ccc(C(C)(C)C)cc2)cc1 508388420 SORIWSLGPSEEFI-SFHVURJKSA-N 445.592 5.776 30 20 IKED CCN(C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C)[C@H](C)c1ccc(C#N)cc1 509594990 YCXHFZQDFBGSIQ-QGZVFWFLSA-N 429.568 5.467 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc4ccccc4s3)s2)cc1OC 513676391 DGWWOFSXACDZQF-CQSZACIVSA-N 435.530 5.236 30 20 IKED N#Cc1ccc(NC(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1Cl 515231244 SPXJCVHZPATVAN-UHFFFAOYSA-N 431.348 5.886 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)s2)cc1 515540488 XFNOKTQLMXTDCO-HNNXBMFYSA-N 439.949 5.880 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(Cl)c4cccnc34)c2)c1 515676700 VEUAJFLEWGGPBY-UHFFFAOYSA-N 426.863 5.264 30 20 IKED Cc1ccn2cc(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)nc2c1 515795677 AFNJJOULJVTUSF-UHFFFAOYSA-N 431.883 5.282 30 20 IKED Cc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 516415056 FEIFRESSJAUAFE-JPYJTQIMSA-N 445.950 5.462 30 20 IKED CCC(CC)[C@@H](NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccs1 517466076 JFKPVINPVIIAFE-MGPUTAFESA-N 429.611 5.232 30 20 IKED COc1ccc(-c2nc(CSCC(=O)Nc3cc(Cl)ccc3C#N)cs2)cc1 517960953 JZKJSQGBISBTCW-UHFFFAOYSA-N 429.954 5.216 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C4CC4)nn3-c3ccccc3)n2)cc1 518516416 BAWUEFJFTZMOGT-FQEVSTJZSA-N 440.528 5.372 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1ccccc1Br 519416064 BPNFECIMBGMWOS-LSDHHAIUSA-N 449.439 6.134 30 20 IKED COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 519449938 PKNUPXRXUVPZAO-NVXWUHKLSA-N 444.988 5.001 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 520154680 OTXDCDPRLCLMSG-QGZVFWFLSA-N 433.474 5.428 30 20 IKED CC(=O)CCc1ccc(OCC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1 521616196 YUKDGINRSGLUMJ-UHFFFAOYSA-N 444.506 5.140 30 20 IKED N#CCCSc1ccccc1NC(=O)c1oc2ccccc2c1CSc1ncccn1 521717459 ZSFPMEJFJIFHLR-UHFFFAOYSA-N 446.557 5.773 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)c2)cc1 522479735 MUHVMVIRLWPVQM-QFIPXVFZSA-N 436.496 5.146 30 20 IKED Cc1cc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)sc1-c1ccc(F)cc1 523225035 MINGUJHAKVRBQF-UHFFFAOYSA-N 433.552 5.082 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 523456173 UMOGAGYOFQGLFL-AEFFLSMTSA-N 425.529 5.347 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)CCCCOc2cccc(C#N)c2)cc1 525529815 OLGNRCVQZIUZLQ-OAQYLSRUSA-N 442.559 6.003 30 20 IKED Cc1nnc(SCc2c(C(=O)N[C@]3(C#N)CCC[C@@H](C)C3)oc3ccccc23)s1 536076229 SQJRIJSSQZKWNF-LRTDBIEQSA-N 426.567 5.087 30 20 IKED C[C@@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)c1cccc(C(=O)c2ccccc2)c1 536552316 YAPVHQPYAIWPHJ-OPAMFIHVSA-N 447.332 5.165 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCCC2 538680166 NDLOHTQNVWVIIV-LBPRGKRZSA-N 438.519 5.397 30 20 IKED COC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccc(F)c(F)c1 539128449 PUDKLFJXZXQKCX-HSZRJFAPSA-N 437.446 5.446 30 20 IKED C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1ccc(C2(C#N)CC2)cc1 539636434 SEFRVVCOXQXLBW-IRXDYDNUSA-N 435.955 5.551 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 541035959 JOGJQHGJJQRROJ-YLJYHZDGSA-N 440.330 5.869 30 20 IKED N#Cc1ccc(Cc2cnc(NCc3cc(-c4cccnc4)n[nH]3)s2)c(C(F)(F)F)c1 541819556 VYKSJITWKYDZAD-UHFFFAOYSA-N 440.454 5.022 30 20 IKED COc1ccc(NC(C)=O)cc1NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 541996354 IAJOPMJQYWOCHB-INIZCTEOSA-N 428.492 5.075 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NCC(=O)N(CCC#N)c1ccccc1 542591604 XVXKPCNHAQTNAG-MRXNPFEDSA-N 438.984 5.369 30 20 IKED C=CCN(C(=O)Nc1cccc(C(F)F)c1Cl)[C@H](C)c1cccc(-n2cnnn2)c1 543649682 DMNDBKRIDHIXQU-CYBMUJFWSA-N 432.862 5.034 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)NCC(=O)N(CCC#N)c1cccc(Cl)c1 544487337 SYPACNHSOQHQDK-INIZCTEOSA-N 438.984 5.369 30 20 IKED Cc1nc(C(F)(F)F)c(CSCC(=O)NCc2ccc(F)cc2C(F)(F)F)s1 544696804 HKDVEKHNTLYMRS-UHFFFAOYSA-N 446.413 5.178 30 20 IKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccc(F)cc1Cl 547988576 NWAFKRQLKSMFDF-UHFFFAOYSA-N 445.718 5.614 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C#N)CC3)n2Cc2cccs2)c1 549573594 IXIVNAAEBWTDET-UHFFFAOYSA-N 435.597 5.139 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CC(=O)Nc1c(C)cccc1C 558455764 GLTHNFFDVXOWCE-UHFFFAOYSA-N 444.366 5.130 30 20 IKED N#Cc1ccc(NC2CC2)c(NC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)c1 570067227 OOOFHKUMSIEVMB-UHFFFAOYSA-N 443.290 5.259 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 571907318 DRWLFSVGVQNMNF-NRFANRHFSA-N 447.583 5.287 30 20 IKED Cc1ccccc1OCCCC(=O)Nc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 578702162 OWTZPISKCYAFAD-AREMUKBSSA-N 439.559 5.442 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)c1nc2cc(F)ccc2s1 592974531 SRACEQRCHUIUKL-INIZCTEOSA-N 445.504 5.235 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)cc1 603549520 VSTFIWBUWIXALU-UHFFFAOYSA-N 447.535 5.610 30 20 IKED Cc1csc(Sc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)cc2[N+](=O)[O-])n1 603613600 FZQVVFPCTANCLP-CYBMUJFWSA-N 436.474 5.142 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(F)cc3C(F)(F)F)cn2)c1 603691354 DGUNDJZARQIPPE-UHFFFAOYSA-N 430.361 5.225 30 20 IKED CCC(CC)[C@@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1 603741167 JDCCQAIJPRNHMF-HSZRJFAPSA-N 446.551 5.316 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)cn2)cc1 603765479 VXNRSHKBUREPRD-UHFFFAOYSA-N 449.392 5.202 30 20 IKED O=C(c1cccc(COc2cccc(F)c2)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603829504 SQRZBBWOBSTRRS-HZPDHXFCSA-N 449.366 5.608 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@@H]3Cc3ccc(F)cc3)c2)c1 604086072 XVEXFSVQNVIHPA-XMMPIXPASA-N 442.494 5.189 30 20 IKED COc1ccc([C@@H](CNC(=O)c2cc3ccccc3n2CC#N)c2c[nH]c3ccccc23)cc1 609161652 MCNFAGRSXPMVMP-HSZRJFAPSA-N 448.526 5.217 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CCc2c(C)nn(Cc3ccc(C)cc3)c2C)cc1 609413483 CNEJADALSXFSPZ-UHFFFAOYSA-N 444.579 5.135 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)cc2)c1 609427040 KZHKEXKMRQXVJE-UHFFFAOYSA-N 448.404 5.807 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(-n4nccc4C(F)(F)F)cc3)cc2)nc1 609501761 BSWCMYXWVCXLMG-UHFFFAOYSA-N 449.392 5.202 30 20 IKED C[C@H](c1ccccc1)N1CCC(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 609696144 ILLJLINCLHEQEH-LJQANCHMSA-N 443.522 5.445 30 20 IKED CN(Cc1nc2ccccc2n1C)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 609732340 RLTLRTBOEKJIFG-UHFFFAOYSA-N 430.895 5.163 30 20 IKED C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(F)cc1Cl 609927700 HNLCHDVRGCMPQG-CQSZACIVSA-N 436.874 5.486 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)c1C 610054242 FZNJBHCOGILCPM-UHFFFAOYSA-N 447.951 5.319 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1cccc(N2CCCC2)c1 610673782 KHGRCJRBWFILFG-GOSISDBHSA-N 427.508 5.228 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cnc2ncc(Br)cc2c1 614830551 FKRRPIMBLNGYIX-GFCCVEGCSA-N 427.327 5.039 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@H](C)c2ccccc2C(F)(F)F)c1C#N 614969887 HNPVVKMQQAURGX-CYBMUJFWSA-N 430.455 5.227 30 20 IKED C[C@H](NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(OC(F)F)c1 618554273 IZUXGYLOKQTORC-MVWJERBFSA-N 434.327 5.121 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 620564732 BBOJZPLRMKXSHR-JTQLQIEISA-N 448.907 6.068 30 20 IKED C=CCOc1c(Cl)cc(CNc2ccc(C(=O)N(CC)CC)c(Cl)c2)cc1OC 630069408 WOSXBRAIOATVOB-UHFFFAOYSA-N 437.367 5.661 30 20 IKED CCCOc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 642322378 GKLCWUJRLDXOPW-UHFFFAOYSA-N 429.476 5.136 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(C#Cc3cccs3)c2)cc1OC 642480546 ZOSBAXKBBKNVEI-QFIPXVFZSA-N 432.545 5.534 30 20 IKED C=CCn1c(Cn2ccc3ccccc32)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 669806045 SDVMDIGOIGVMJO-OZXSUGGESA-N 441.579 5.071 30 20 IKED C[C@H](NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(OCC(F)(F)F)cc1 675737364 GGCVCHZFKRDWNK-CYZMBNFOSA-N 437.346 6.188 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccc(C)c(NC(C)=O)c1C)c1ccc(C(F)(F)F)cc1 676748252 PYNDPSNSRHJRTJ-FQEVSTJZSA-N 433.474 6.110 30 20 IKED C=CCN(C(=O)c1sc(NC(=O)C(C)(C)C)cc1C)c1nc(-c2ccccc2)cs1 685460635 YNNAKBHNMMMPJF-UHFFFAOYSA-N 439.606 5.997 30 20 IKED O=C1/C(=C\c2ccc3ncccc3c2)CN(CC2CC2)C/C1=C\c1ccc2ncccc2c1 727267256 RGAXKINZNAGINU-WFOJNGAISA-N 431.539 5.545 30 20 IKED C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 728466070 OIAVDKXXCUVGRN-RXFWQSSRSA-N 447.538 6.139 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cn1 728474886 GUGRVASASACVMO-UHFFFAOYSA-N 430.464 5.345 30 20 IKED COc1ccc2oc([C@H](C)NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c(C)c2c1 730133969 YZKPFSXRZFWMGN-UUOWRZLLSA-N 439.515 6.288 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)OCc3ncc(-c4ccc(Cl)cc4)o3)cc2)nc1 732398926 QPJINROJCYQCOU-UHFFFAOYSA-N 431.835 5.411 30 20 IKED C=CC[C@H](NC(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C)c1ccncc1 734234606 ROJQGHRFPHJVOO-NRFANRHFSA-N 429.351 5.167 30 20 IKED C=CC[C@@H](NC(=O)N(CCCN(C)C)Cc1ccc(Cl)c(Cl)c1)c1ccncc1 734684699 WHPCNGWTILMICY-OAQYLSRUSA-N 435.399 5.169 30 20 IKED CN(C)c1cccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1 735566876 CIPFXFWJYXOEPA-QHCPKHFHSA-N 427.508 5.181 30 20 IKED CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740061032 ZUPBKAUIMBNTLB-UHFFFAOYSA-N 429.467 5.647 30 20 IKED CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccccc1SC[C@@H](C)C#N 743152368 UDWLCWRGWRYXSN-AWEZNQCLSA-N 448.386 5.460 30 20 IKED COc1ccc2cc(C=Nn3c(S)nnc3COc3ccc(C(C)C)cc3)ccc2c1 744806952 DLUVTXZKTWCKGM-UHFFFAOYSA-N 432.549 5.313 30 20 IKED Cc1ccc(-c2ccc(C(=O)OCc3nnc(-c4ccc(C#N)cc4)o3)c(F)c2)cc1C 744981593 VJFGSJBIOVSSNK-UHFFFAOYSA-N 427.435 5.388 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc(-c2ccccc2)ns1 747204768 MKXZXMCDXRZBNJ-IBGZPJMESA-N 439.496 5.564 30 20 IKED C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(c2nc(C(C)(C)C)cs2)CC1 750060020 AKRPFJLBHCUJBA-QGZVFWFLSA-N 442.604 5.094 30 20 IKED C[C@@H](SCc1c(F)c(F)c(F)c(F)c1F)C(=O)Nc1ccccc1C(F)(F)F 750290561 DBZRZSQRQBQHNS-SSDOTTSWSA-N 429.332 5.661 30 20 IKED C=C(C)[C@H](CO)Sc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1 753863081 TVPMDXLQFNZDOI-SFHVURJKSA-N 440.619 5.198 30 20 IKED CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 755043063 AOJPFLPFGUKEOX-CJNGLKHVSA-N 449.523 5.204 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)CCC(=O)c2cc(Cl)sc2Cl)c1 755387110 RZIQEWQZCBAXLY-ZDUSSCGKSA-N 425.337 5.015 30 20 IKED N#CCn1c(C(=O)O[C@@H](c2cccnc2)c2cccc(C(F)(F)F)c2)cc2ccccc21 759597234 PJRKMHFREKESHF-JOCHJYFZSA-N 435.405 5.525 30 20 IKED COc1cc(OC(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)ccc1C#N 767158595 GNMLIRSKFMLEEW-CYBMUJFWSA-N 428.897 5.103 30 20 IKED Cc1cc(Br)cc2c(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)coc12 770847395 OGJCPMPRNUMAMP-GOSISDBHSA-N 447.288 5.618 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)c1 772985691 WLNJYTOFIOFMLI-FOIQADDNSA-N 425.985 6.304 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)nn1-c1ccc(Cl)c(Cl)c1 777303210 VFMVYAQFMJRKFT-ZDUSSCGKSA-N 447.709 5.102 30 20 IKED C#Cc1cccc(NC(=S)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)c1 777500933 QGUNUDMGQWIQRG-MRXNPFEDSA-N 427.289 5.411 30 20 IKED CCC(CC)n1c(COc2ccccc2Cl)nn(CN2CCC(C)(C#N)CC2)c1=S 779879019 IHYPUUGUIPMVPP-UHFFFAOYSA-N 448.036 5.591 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1 780163185 KOCHWAMEGRKWHD-ZDUSSCGKSA-N 429.278 6.343 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)CCOc1ccc(OCc2ccccc2)cc1 780667702 LMQVKHYTSRJSMZ-FQEVSTJZSA-N 445.519 5.099 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 780668234 AJROKAXQLYEYOJ-LJQANCHMSA-N 428.536 5.028 30 20 IKED COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)Nc1ccccc1O[C@H](C)C#N 780668792 ZBPIQBPNVSVOFB-LEWJYISDSA-N 443.547 5.651 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2ccccc2O[C@@H](C)C#N)ccc1OCc1ccccc1 780671601 WLDSAYHXYIAUFS-RBUKOAKNSA-N 445.519 5.448 30 20 IKED N#CCc1cccc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2C(F)(F)F)c1 781376654 SKCRIIGCADITDA-QHCPKHFHSA-N 438.449 5.147 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 781463494 QOEMXBBXQAOHGL-ZBEGNZNMSA-N 429.345 5.004 30 20 IKED COC(=O)Nc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1F 783638808 NXIAIKWLMZNHMF-UHFFFAOYSA-N 435.480 5.420 30 20 IKED CCc1cccc2c(CC(=O)[C@H](C#N)C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)c[nH]c12 787047053 AHIFJPRBAWCNGQ-DJJJIMSYSA-N 442.346 5.166 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(SC(F)(F)F)cc3)ccc21 787353499 SCRCTJCAWUYBFH-UHFFFAOYSA-N 433.455 5.134 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccnc(Oc3ccc(F)cc3F)c2)c1 788744310 PWZKUMYMDAGQST-GOSISDBHSA-N 438.434 5.155 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccsc3)N([C@H]3CC[C@H]3C)C2=O)c1 795182664 LKSRDTSMHDDWCH-MNEFBYGVSA-N 427.595 5.124 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 799398105 BWIIODSJZUPVLF-ROUUACIJSA-N 446.617 5.240 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/Sc3cc(C)ccc3C2=O)cs1 806557584 DTAYLYFICCWKLH-VXLYETTFSA-N 426.950 6.119 30 20 IKED CN(CCC#N)c1ccc(CNCc2cccc3c2CCCN3C(=O)OC(C)(C)C)cc1 808432185 XCWZDLRJKCNZKO-UHFFFAOYSA-N 434.584 5.014 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)cc1 808815118 ASWZHIFPTUCJKM-DHIUTWEWSA-N 441.535 5.752 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1c1nc2ccccc2s1 812176202 STDAVEWIZPAUMN-KRWDZBQOSA-N 436.972 5.521 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cnc2c(F)ccc(F)c2c1 815907448 ATNRCGBHGZTAOS-SFHVURJKSA-N 443.409 5.266 30 20 IKED COc1cc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc(OC)c1OC 818194121 BXONKHYOJHXBCQ-CSKARUKUSA-N 425.462 5.245 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2sc3nccc(C)c3c2C)c1 914919728 XABVLHXSRPOUTG-GOSISDBHSA-N 435.549 5.022 30 20 IKED O=C(Nc1ccc(N2CCCC2)c(F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 916714584 WYYDTZHTDDZELL-IMRBUKKESA-N 441.391 5.457 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)Nc1cccc2ccccc12 916916132 OHHZMCGCTJKTJJ-LJQANCHMSA-N 445.931 5.507 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CC(=O)N(c4c(C)cc(C)cc4C)C3)n2)cc1 916974204 GQFYMPLRRRQGBF-RTWAWAEBSA-N 443.572 5.273 30 20 IKED C=CCn1c(SC[C@@H](O)c2cccc(F)c2)nc2scc(-c3ccccc3)c2c1=O 916982215 XXDCJOQXJHIPFR-LJQANCHMSA-N 438.549 5.276 30 20 IKED C[C@H](Oc1ccccc1F)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995156 BGAOXUWDCJMLAB-FZMZJTMJSA-N 435.307 5.900 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)cc1 917119866 ZCBVIJWZSNAZNB-HSZRJFAPSA-N 429.483 5.304 30 20 IKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccccc2C)[n+]2ccccc2CC)C=C1 917607494 WRPHKJHDWIWHCR-UHFFFAOYSA-O 447.580 5.429 30 20 IKED CC(C)CN(CCC#N)Cn1nc(Nc2cccc(Br)c2)sc1=S 919944623 LADUYKNXISTXGK-UHFFFAOYSA-N 426.409 5.009 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c(-c2ccc(F)cc2)noc1C 920018074 QTKBNUCHDPSIBI-UHFFFAOYSA-N 427.435 6.014 30 20 IKED C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1cccc(N2CCOC2=O)c1 920950004 GXHBQAOATBKFJM-KRWDZBQOSA-N 443.528 5.157 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(F)cc4F)CCC3)cc2)cc1 1790707405 JXQLBVOTQZRKDG-UHFFFAOYSA-N 445.469 5.092 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccnc4ncccc34)cc2)CCC1 1790899573 REYURXTXFXWODK-UHFFFAOYSA-N 440.547 5.146 30 20 IKED N#CCC(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)cc3C(F)(F)F)cc2)CCC1 1792178550 JOFGAYZJAYSVCG-UHFFFAOYSA-N 435.833 5.020 30 20 IKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC(C)(C)C)n[nH]1)c1ccccc1 1816761555 LXPYTFUPZNQEKL-IFMALSPDSA-N 434.584 5.035 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCCCC2(F)F)[nH]n1 1819553072 RPXPHWWONJFCAM-AEFFLSMTSA-N 436.547 5.220 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)c(F)c2)n[nH]1 1820237667 BOKMGWFYVBQKKY-JOCHJYFZSA-N 432.499 5.098 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)s2)CC1 1824140687 CYXYYLYAWGKLHG-LJQANCHMSA-N 435.033 5.403 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccccc2F)CC1 1824144950 OEOOWIIKEZNOTI-RUZDIDTESA-N 440.603 5.146 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 1831374992 LHISHMUVGFVJDY-OXJNMPFZSA-N 437.411 5.439 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 1831376042 IKGBHJAQMLQGQL-XXBNENTESA-N 443.031 5.204 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)cccc2Cl)CC1 1831447174 PCQATTHECQKJDL-IBGZPJMESA-N 438.946 5.093 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C)c2Cl)CC1 1832604046 ZUJBFZWEYZZPAT-LJQANCHMSA-N 438.946 5.093 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cc3c(Cl)cccc3s2)C1 1843805044 WWROVISZNAGPHB-MRXNPFEDSA-N 428.985 5.140 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(F)ccc1F)=C(/S)Nc1cccc(C)c1C 22729368 IXJFGRFLCCQFCC-UHFFFAOYSA-O 425.524 5.482 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(OCC)cc2)=C(/S)Nc2cc(C)ccc2C)cc1 22729772 SYNARRPIZJGMAT-UHFFFAOYSA-O 447.624 5.993 30 20 IKED CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)nnc1-c1cccc(Cl)c1 23540617 MBLGJBNFJDPBRG-INIZCTEOSA-N 439.972 5.046 30 20 IKED CN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1ccccc1Sc1ccccc1C#N 26034166 ORUIRVMDDKYTEY-UHFFFAOYSA-N 435.936 5.074 30 20 IKED Cc1cccc(Nc2nnc(SCC(=O)c3cn(CCC#N)c4ccccc34)s2)c1 61574215 IBZRCJUYTMPPEI-UHFFFAOYSA-N 433.562 5.434 30 20 IKED CCCc1nc2c(C)ccnc2n1Cc1ccc(-n2c(C#N)cc(C)c2Br)cc1 80116082 MRXUIEVUWXWPKM-UHFFFAOYSA-N 448.368 5.474 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2SCC(F)(F)F)o1 108261519 IAYLAPUZVOJNPD-UHFFFAOYSA-N 432.423 5.637 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(CSC4CCOCC4)c3)o2)cc1 217220258 FZHVIQDAPHGJML-UHFFFAOYSA-N 448.544 5.395 30 20 IKED C[C@H]1C(=O)Nc2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)ccc2N1C 426168112 OWGZFOZZAPCIEM-YWZLYKJASA-N 444.922 5.025 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1ccc([S@@](C)=O)cc1 429025994 JAIRRLLCXDMANX-WJOKGBTCSA-N 433.533 5.060 30 20 IKED CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)C1(c2cccc(C#N)c2)CC1 435003384 MFYSWGRHNLPRCD-UHFFFAOYSA-N 431.511 5.255 30 20 IKED N#Cc1ccc(S(=O)(=O)Nc2cnccc2-c2ccc(C(F)(F)F)cc2)cc1Cl 437308236 RSQPEOOVXCJGID-UHFFFAOYSA-N 437.830 5.093 30 20 IKED COc1ccccc1C[C@H](C)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 437739551 XGEWUZDOOUGFCV-MBSDFSHPSA-N 447.966 6.099 30 20 IKED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1cccc(SC)c1)c1cc(F)ccc1F 438052662 JGFNGPICKYDPCI-USCONSEESA-N 432.536 5.057 30 20 IKED C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCN1Cc1ccccc1 438638752 SPCOLRQLBASSEZ-JXFKEZNVSA-N 430.474 5.094 30 20 IKED N#Cc1ccc(F)c(CN[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c1 439638880 XMMPSDYWROAQDW-NRFANRHFSA-N 427.401 5.186 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1cccc(C(=O)CC)c1)c1ccc(C(F)(F)F)cc1 442040037 DNFWLABFRSFSDN-IBGZPJMESA-N 432.442 5.060 30 20 IKED C=CCn1c(SCc2coc(-c3c(F)cccc3F)n2)nnc1-c1ccc(OC)cc1 443428876 PWHPMGWMHUHDKC-UHFFFAOYSA-N 440.475 5.365 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@H]2CC(=O)c2cccs2)c1 443650141 HLYKLQOTNWRQRT-NRFANRHFSA-N 430.529 5.076 30 20 IKED Cn1cc([C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C(F)(F)F)cn1 446116167 BOLSTUMKOHZOFT-GOSISDBHSA-N 449.820 5.163 30 20 IKED C=CCN1C(=O)N(c2ccc(Oc3ccccc3C#N)c(F)c2)C(=O)[C@H]1Cc1ccccc1 446158626 SMWQWBNOVWAXDA-JOCHJYFZSA-N 441.462 5.056 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)c2cnc(-c3ccncc3)s2)c1 460339922 QMETXZSZLKSLOZ-UHFFFAOYSA-N 430.920 5.577 30 20 IKED C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H]1c1ccc(COC)o1 460944946 IZXQUOBILJQUOO-NRFANRHFSA-N 436.556 5.131 30 20 IKED C[C@@H](C#N)CSc1ccccc1NCc1ncc(-c2ccccc2Br)o1 462241173 YWBQIKQYXQDEMB-AWEZNQCLSA-N 428.355 5.968 30 20 IKED N#C[C@H](NC(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)c1ccc(Cl)cc1 463779365 SWFAGGNWSNCYRL-FQEVSTJZSA-N 432.842 5.191 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 469676849 ISNBIMNXHBDOSS-OXJNMPFZSA-N 447.526 6.859 30 20 IKED CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1ccccc1Sc1ccccc1C#N 470663798 ZJEGMLZVXXIENM-UHFFFAOYSA-N 433.480 5.457 30 20 IKED Cc1csc(Sc2ccc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)cc2[N+](=O)[O-])n1 474436779 FVCYVJHCFZYSFB-ZDUSSCGKSA-N 444.563 5.581 30 20 IKED COc1cccc(OC)c1Oc1ccc(CNc2cc(C#N)ccc2C(F)(F)F)cn1 475353421 FIOZZWBXSBNICB-UHFFFAOYSA-N 429.398 5.394 30 20 IKED Cc1nc([C@@H](NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c2ccccc2F)no1 475835284 SVZKNXBCXRBOBC-QFIPXVFZSA-N 444.491 5.059 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1 476789676 OUIKIFKNTWIMHJ-UHFFFAOYSA-N 448.588 5.900 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nccc3ccccc23)nnn1-c1ccc(-c2ccccc2)cc1 483207708 GKPSWEICSYWCKC-XMMPIXPASA-N 429.483 5.281 30 20 IKED COc1ccc(CNc2ccc(Oc3cccc(F)c3F)nc2)cc1OCCCC#N 485954421 GNBFIUMWTULIIO-UHFFFAOYSA-N 425.435 5.455 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 487385517 FKKGINXTENMASD-UHFFFAOYSA-N 448.529 5.073 30 20 IKED COc1ccc(-c2nnc(SCc3ccccc3C(C)(C)C#N)n2C[C@H]2CCCO2)cc1 487723530 HSZBBDNEVCMXPB-OAQYLSRUSA-N 448.592 5.226 30 20 IKED COc1cccc(NC(=O)[C@@H](Sc2nc(C(F)(F)F)ccc2C#N)c2ccccc2)c1 488788194 XIMRBDOFRVXFFC-IBGZPJMESA-N 443.450 5.453 30 20 IKED C=C(C)Cn1c(S[C@H](C(=O)Nc2ccccc2)c2ccccc2)nnc1-c1ccncc1 489398367 YFBQWEZLPCVNPR-QFIPXVFZSA-N 441.560 5.388 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)o2)cc1 489761183 RXNMHBHCQYZEHC-UHFFFAOYSA-N 435.427 5.051 30 20 IKED C[S@](=O)c1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1F 495329396 LMGFCQWRXDJBPE-LJAQVGFWSA-N 428.872 5.133 30 20 IKED CCN(C(=O)CSCc1ccc(C#N)cc1)[C@@H](c1ccc(Cl)cc1)c1cccnc1 496453189 XMLCTKLDNJMOFT-DEOSSOPVSA-N 435.980 5.478 30 20 IKED COc1cc(C#N)ccc1CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1 499306768 LTHVKMHYHHIREE-UHFFFAOYSA-N 433.924 5.155 30 20 IKED C=CCC[C@H](NC(=O)N1CC[C@H](c2nc(C3CC3)no2)C1)c1ccc(C(F)(F)F)cc1 500108783 VSCHIUDHJDKPPH-WMZOPIPTSA-N 434.462 5.172 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)cc(OC)c1OC 502833760 UWXKUZDINGKVCB-UHFFFAOYSA-N 448.494 5.005 30 20 IKED Cc1nc(NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)sc1SCC#N 504754665 LMFDEDGVXCMBPY-UHFFFAOYSA-N 428.486 5.256 30 20 IKED CCOc1ccc(NC(=O)c2ccc(NC(=O)N[C@@H](C)c3ccc(C#N)cc3)cc2)cc1 505312128 VLWIAWCZSPLBJX-KRWDZBQOSA-N 428.492 5.092 30 20 IKED COc1ccc(C2(C(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)CCC2)cc1 505698346 VKLNNSPIICZPTB-UHFFFAOYSA-N 428.488 5.428 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)NCCCc2cccc(C(F)(F)F)c2)o1 506975605 UYRIHDUEFWFKES-UHFFFAOYSA-N 428.410 5.112 30 20 IKED CC1(C#N)CCN(C(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCCCC3)CC1 507837199 JYVWLNBXMDEKFG-UHFFFAOYSA-N 431.367 5.214 30 20 IKED C[C@H](c1ccccc1Cl)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509910998 LQOKUFXQQBXFDE-GOSISDBHSA-N 433.939 6.210 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2ccccc2OC(F)(F)F)cc1 510978654 AWEVUXJJSRZORS-UHFFFAOYSA-N 447.457 5.063 30 20 IKED CC(C)Oc1cccc([C@@H](C)NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 511473653 JDZOSMTYNVTIQU-GOSISDBHSA-N 442.519 5.480 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3ccccc3Br)cc2F)c1 511873242 KNBKKOWBRCLPTD-UHFFFAOYSA-N 439.284 5.220 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 515058032 KOSODWAYQVFPFZ-IRXDYDNUSA-N 441.000 5.066 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 518386008 KHFVCIBLPYKIQO-UHFFFAOYSA-N 426.476 5.105 30 20 IKED CCN(CC)[C@H](CNC(=O)N[C@@H](C)c1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 519949865 NIOMJTJSIWBOBC-HRAATJIYSA-N 432.490 5.020 30 20 IKED Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)Nc3ccc(C#N)cn3)cc12 520329019 WPJYMVVBJQGPOI-UHFFFAOYSA-N 442.331 5.280 30 20 IKED COc1ccc(OC(C)C)c(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c1 520737451 CIARNYLCIOVXIM-HNNXBMFYSA-N 427.570 5.124 30 20 IKED CC1CCN(c2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2[N+](=O)[O-])CC1 521327119 SBIRTDNVCXYQMK-QGZVFWFLSA-N 438.553 5.478 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1ccco1)c1cccc(Cl)c1 521928874 QUOAQKHTYCQWKH-KRWDZBQOSA-N 439.968 5.973 30 20 IKED Cc1cc(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1[N+](=O)[O-] 522359905 PUTVLGZJJOYWRS-LJQANCHMSA-N 441.896 5.013 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)CC2)c(C)c1 523122731 RYIYFVLBTWJGGG-UHFFFAOYSA-N 437.543 5.654 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)N(C)CC(=O)N(CCC#N)c3ccccc3)s2)cc1 523555568 NYUNLZWTSFNLID-FQEVSTJZSA-N 432.593 5.367 30 20 IKED CCN(Cc1cccc(Br)c1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 524382303 WNZUZIXDRYMLJU-UHFFFAOYSA-N 439.309 5.155 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 525594073 FROQPUGCHXETKO-LJQANCHMSA-N 449.510 5.912 30 20 IKED N#C[C@@H](C(=O)c1cccc(-n2ccnn2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 534469042 VWWGPINMWTVISF-INIZCTEOSA-N 440.315 5.188 30 20 IKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(C)n2[C@@H]2CCC[C@@H](C)C2)ccc1Cl 534606486 YJDMYZYJHBDYNQ-DNVCBOLYSA-N 446.020 5.339 30 20 IKED COc1cc([C@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)ccc1OCc1ccncc1 538153142 NARSSMIDNZTXEA-SFHVURJKSA-N 440.465 5.390 30 20 IKED N#C[C@H](C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1)c1ccc(C(F)(F)F)cn1 540081199 QIKLIKUGHPSPPQ-ZDUSSCGKSA-N 439.315 5.080 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 540816321 NQQWJUBUAYVHPY-LPHOPBHVSA-N 432.553 5.092 30 20 IKED COC[C@H](C)CC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 541229461 MRRFIPAFKXPEDX-AMIZOPFISA-N 425.291 5.116 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(Cc3cnc(-c4ccc(Cl)cc4)s3)CC2)c1 551554966 PNZRIMDKUDZXPM-UHFFFAOYSA-N 436.968 5.186 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cc1cccc(OCc2ccccc2Cl)c1 553080483 LXEYEVFJCTYNBA-UHFFFAOYSA-N 439.939 5.152 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(CO[C@@H]2CCC[C@H](C)C2)c1 554175719 ZSNZGPNPTYDAJB-SIKLNZKXSA-N 426.557 5.477 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)CC1 554557972 AXDBEBQUCPDNGH-UHFFFAOYSA-N 433.899 5.012 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NC(c3cccs3)c3cccs3)cc2)ccn1 555005282 LXRROEPGKQHAPP-UHFFFAOYSA-N 432.530 5.780 30 20 IKED N#CCCC[C@@H](NC(=O)C(=O)Nc1ccccc1Sc1ccccc1)c1ccccc1 560283269 WJFYTQKRYVOCLH-OAQYLSRUSA-N 429.545 5.328 30 20 IKED N#Cc1cc(-c2nc(-c3cccc(Oc4ccc(Cl)cc4)n3)no2)cnc1C(F)(F)F 573510549 KIYCJYWOXXMQSB-UHFFFAOYSA-N 443.772 5.530 30 20 IKED COc1ccccc1O[C@H]1CCCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 579749351 SAIHCBZDENRBHV-ROUUACIJSA-N 425.554 5.165 30 20 IKED C=CCOc1ccccc1-c1nc(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)no1 579890781 MJJWRASMSCZILH-CYBMUJFWSA-N 432.307 5.028 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C3(Cc4ccc(F)cc4)CCOCC3)cc2)c1 580350428 SAQYAIXHYLVIED-UHFFFAOYSA-N 444.506 5.254 30 20 IKED COc1ccc(-c2nc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cs2)cc1 603624220 WRVMZEOHAAQLQO-UHFFFAOYSA-N 428.473 5.130 30 20 IKED CSCc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)oc2ccccc12 603846296 LQHNWVCZHURXNH-ZDUSSCGKSA-N 446.475 6.414 30 20 IKED CC(C)NC(=O)Nc1cccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 603921042 LMDHJUGLIUTGAC-UHFFFAOYSA-N 442.519 5.114 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1ccc2c(c1)OCO2 609078344 JUZYXVAQNLZPPC-QGZVFWFLSA-N 429.476 5.057 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H](c2ccccc2C)C1 609079829 LXIANDXCQGMHBH-HSZRJFAPSA-N 425.532 5.776 30 20 IKED COc1ccc2oc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)c(C)c2c1 609106541 NFHCWBCSWDCMLL-UHFFFAOYSA-N 430.435 5.592 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1OC 609399337 ODOZIVGVAIHEPE-QFBILLFUSA-N 425.554 5.325 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc(OC[C@@H]4CCCO4)c3)cc2)cc1 609499970 AGNMKPICQNMQEF-VWLOTQADSA-N 428.488 5.355 30 20 IKED Cc1cc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c2ncccc2c1 609542083 JMGYOJVBURVOHE-UHFFFAOYSA-N 445.519 5.258 30 20 IKED Cn1ccnc1Sc1ccccc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 609643635 SIXVYOQSFUFJFX-UHFFFAOYSA-N 440.528 5.274 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(C(=O)Nc4ccccc4)cc3)c2)c1 609643640 TYSYTYHNHJTABK-UHFFFAOYSA-N 447.494 5.642 30 20 IKED C[C@H](CC(=O)N[C@@H](C#N)c1ccccc1Br)c1cccc(C(F)(F)F)c1 609993909 BZKOVQGYTVSLIJ-PXAZEXFGSA-N 425.248 5.343 30 20 IKED N#Cc1ccc(NC(=O)CCSc2nnc(-c3cccc4ccccc34)o2)cc1Cl 610166744 YBBMJROOXZCCTG-UHFFFAOYSA-N 434.908 5.536 30 20 IKED CN(CC(C)(C)C)C(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c1 610172307 OCZFKTFOVFUIRX-UHFFFAOYSA-N 437.609 5.649 30 20 IKED C[C@H]1CN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c2ccccc2N(C)C1=O 610192519 FOCPUHAONOPJFP-INIZCTEOSA-N 445.906 5.263 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H](CC2CC2)c2ccccc2)cc1 610321876 KJMNRAFLISCMOR-AREMUKBSSA-N 425.532 5.995 30 20 IKED Cn1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1-n1cccc1 613346115 DIYWWGMCRKSAQD-CQSZACIVSA-N 442.331 5.131 30 20 IKED Cn1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(Cl)c2ccccc21 613404986 SAQAXSXBHFXQAS-GFCCVEGCSA-N 433.842 5.950 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 618730984 KAGGJZITRDVRAQ-IBGZPJMESA-N 427.451 5.047 30 20 IKED COc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(OC(F)F)c1 682766265 SMTNKVJGWNQZGW-LBPRGKRZSA-N 442.365 5.415 30 20 IKED CCCCC[C@H](NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)c1ccccc1 728145447 AEWGAUAWGWWQAQ-NRFANRHFSA-N 442.519 5.122 30 20 IKED Cc1ccc(C(=O)N[C@H](CC(=O)[C@H](C#N)c2nc3ccccc3s2)c2ccccc2)cc1 729889882 FKUCKXJPBMXTJX-RBBKRZOGSA-N 439.540 5.342 30 20 IKED O=C(O)c1ccoc1COc1ccc(/C=C/C(=O)c2sccc2Br)cc1 730949337 SWWOZYAQQBNWFL-ZZXKWVIFSA-N 433.279 5.277 30 20 IKED Cc1cc(S[C@@H](C)C(=O)OCc2ncc(C(C)C)o2)n2c(nc3ccccc32)c1C#N 733413289 UGOCMVCOTYLILD-HNNXBMFYSA-N 434.521 5.003 30 20 IKED C[C@H](OC(=O)C1(Sc2ccccc2)CCCC1)C(=O)Nc1sc2c(c1C#N)CCC2 733555728 AJFNLMZSTDWNPU-HNNXBMFYSA-N 440.590 5.084 30 20 IKED N#CCCn1cc(C(=O)COC(=O)C2(Sc3ccccc3)CCCC2)c2ccccc21 733556099 GNKTXJJUVGYMIT-UHFFFAOYSA-N 432.545 5.386 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CCOc3cc(C)c(C)cc3C2=O)cs1 733748800 JYZFIEUDPQIYHL-SFQUDFHCSA-N 436.508 5.632 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)c1 733845221 QAHHAZIRVKWUCC-FQEVSTJZSA-N 444.466 5.637 30 20 IKED C=CC[C@@H](NC(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C)c1ccncc1 734233962 CUBVSNVMSJCQEW-HSZRJFAPSA-N 425.536 5.430 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C\C(=O)c1c(Cl)nc2ccccn12 737446451 SSIJGSQFHVIPSS-KTKRTIGZSA-N 429.282 5.230 30 20 IKED O=C(/C=C\c1ccc(OCc2ccncc2)cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 741448328 UNZRWDHBOYURBZ-AUWJEWJLSA-N 447.556 5.273 30 20 IKED CC(C)c1nn(C)c(Cl)c1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 744037711 CDTUEWCSCCHGJW-SNVBAGLBSA-N 426.851 5.315 30 20 IKED C[C@H](ON=Cc1c(Cl)nc2ccccn12)c1nc(-c2cccc(C(F)(F)F)c2)no1 744443453 YIBJIBPALRXMMV-NSHDSACASA-N 435.793 5.168 30 20 IKED C[C@H](Oc1cccc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)c1)C(=O)O 745021538 QROLIAZKRSLFIJ-AHKFDXCISA-N 449.890 5.340 30 20 IKED COc1cc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)ccc1OCc1ccc(F)cc1 745626030 HVKLIUROCGQSSB-YRNVUSSQSA-N 447.462 5.266 30 20 IKED COc1cc(C(=O)/C=C/c2cc3cnn(C(C)C)c3nc2Cl)ccc1SC(F)F 746345300 CMPZXWPJXABPIR-GQCTYLIASA-N 437.899 5.885 30 20 IKED N#C[C@H](C(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1)c1nc2ccccc2n1C(F)F 750691255 YJVZRROMQOOGAM-CYBMUJFWSA-N 434.273 6.036 30 20 IKED C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cc(OC)c(OCC)c(OC)c3)c12 750906101 PWLVWYCHVLFYRS-SEYXRHQNSA-N 445.519 5.095 30 20 IKED Fc1ccc(-c2csc3ncnc(NN=Cc4c(C5CC5)nc5sccn45)c23)cc1 755586545 AZMIFQQNXCSZDK-UHFFFAOYSA-N 434.525 5.530 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ncc(Br)s2)cs1 756847348 QCPTZFIQTFLDJZ-YVMONPNESA-N 448.367 5.251 30 20 IKED C#CC[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1)c1ccccc1 757263323 RGVLRQWOYROYRB-DVECYGJZSA-N 428.557 5.359 30 20 IKED N#CCOc1ccccc1C(=O)N[C@H](c1cccc(F)c1)c1cccc(Br)c1 759482917 NQUANOHOPJNBSD-NRFANRHFSA-N 439.284 5.010 30 20 IKED O=C(NOCC(F)F)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 759933986 GTSRCJBJYBFEAU-UHFFFAOYSA-N 449.323 5.090 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)Cc2cccc(OCC#N)c2)nc1-c1ccccc1 760587533 LAMUFWOULDWDHG-JOCHJYFZSA-N 429.520 5.274 30 20 IKED C=CCn1c(-c2cccs2)nn(CN(Cc2ccc(C#N)cc2)CC(F)(F)F)c1=S 764897224 HSBNQHATHUGIFE-UHFFFAOYSA-N 449.527 5.222 30 20 IKED N#CCCCn1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c2ccccc21 774050723 GUHLPKVHLBFRDV-INIZCTEOSA-N 439.302 5.213 30 20 IKED CC(C)(C#N)CCOC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 776365907 UXSMUSWZFSMGDM-UHFFFAOYSA-N 428.414 5.050 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccnc(SC(C)(C)C)c1 778863099 JMIAJKJLFLUXNU-OAHLLOKOSA-N 443.594 5.019 30 20 IKED CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)c3c(Cl)cc(C#N)cc3Cl)cc2C1 781586525 WDZXUVPMUWQXFG-UHFFFAOYSA-N 446.334 5.046 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3ccc(Cl)nc3C(F)(F)F)o2)cc1 786726892 FNQSWOOXMLFWBI-UHFFFAOYSA-N 427.835 5.661 30 20 IKED CCC(C)(C)N(CCC#N)C(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 787938152 QDGVMZMSEHTCJI-UHFFFAOYSA-N 432.520 5.225 30 20 IKED CCS(=O)(=O)Nc1ccc(C(=O)/C=C\c2cnc(-c3ccc(Cl)cc3)s2)cc1 789143661 PWJRLIURKJEQRN-QXMHVHEDSA-N 432.954 5.121 30 20 IKED CC(C)(C)OC(=O)N1CCc2cc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)ccc21 797571143 OHSRWBNCGUIGPL-INIZCTEOSA-N 425.554 5.228 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)s2)c(F)c1 800384050 NONUZXDGHBUSQF-QGZVFWFLSA-N 447.491 5.261 30 20 IKED C[C@H](Cc1cncc2ccccc12)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 805857860 IQLQKJIVPBQNNS-ACJLOTCBSA-N 439.462 5.918 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1COC(=O)NC1CCCCC1 806264789 GQMARPKWJCMILL-IEBWSBKVSA-N 444.601 5.136 30 20 IKED COc1cc(/C=C2\CC/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OCC(F)F 809154804 FVCCZHFPECBXBS-VAQFQWRASA-N 445.418 5.086 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCc4cc(-c5ccccc5)oc4C3)cc2)ccn1 810280093 BYRYYLHGHZWLNL-UHFFFAOYSA-N 436.471 5.596 30 20 IKED O=C(N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)[C@H](F)c1ccc(C(F)(F)F)cc1 857500217 MGOMJBOCCSCOQX-LSDHHAIUSA-N 443.746 5.238 30 20 IKED Cc1cc(C(=O)CCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C)s1 915103989 ISHHCRDJRHKCHL-AWEZNQCLSA-N 436.480 5.833 30 20 IKED COc1cc(Br)c(/C=C/C(=O)c2sccc2Br)cc1OC 915112555 DGYNXSQZEBHBHN-ONEGZZNKSA-N 432.133 5.186 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1 915352419 IGKINDMYDYRSSS-FCHUYYIVSA-N 433.964 6.354 30 20 IKED CCOC(=O)c1ccc(-c2ccc(/C=C\C(=O)c3cc(OC)c(OC)c(OC)c3)o2)cc1 916137834 FHNXIBGJFDYEPX-BENRWUELSA-N 436.460 5.045 30 20 IKED FC(F)SCc1ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)o1 916276546 BBCLMRDVLFSIRD-UHFFFAOYSA-N 435.308 5.472 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)cc1 916953177 RXWOOIIVCMZMAY-FMAYLGMYSA-N 436.920 5.438 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)n2)cc1 916977283 OYIAJWMKQIXCTF-VQIMIIECSA-N 435.936 5.001 30 20 IKED N#C[C@H](C(=O)CCCc1nc(-c2cccs2)no1)c1nc2cc(Cl)ccc2s1 917046570 KLRMACWNRDATPS-GFCCVEGCSA-N 428.926 5.260 30 20 IKED O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@H](OCC(F)(F)F)C1 917751200 DTKIMRWEOKRILA-RDFMZFSFSA-N 449.313 5.307 30 20 IKED Cc1c(C(=O)/C=C/c2ccccc2OCc2ccccn2)nnn1-c1cccc(Cl)c1 920388406 BTLSMBOYHMAYFA-OUKQBFOZSA-N 430.895 5.099 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C(F)(F)F)cc4)CCC3)cc2)C1 1785808142 SAWZMABQUPXGKB-UHFFFAOYSA-N 428.454 5.419 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3c(C)oc4cc(O)ccc34)cc2)CCC1 1789024532 YDPYKGGHPIIMBP-UHFFFAOYSA-N 444.531 5.388 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3cc4ccccc4o3)CCC2)cc1 1791582648 HUKQYQNGKXKFTD-FOCLMDBBSA-N 426.516 5.384 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1cccc(F)c1)C2 1792571698 FIEGTZINEHLIOM-KOUNCHBCSA-N 449.570 5.132 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)CC3CCC(C)(C)CC3)CC2)C1 1805457822 ZGLDYACWUMKIBJ-UHFFFAOYSA-N 428.661 5.593 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCCC2(F)F)CC1 1824139989 UXOCRERCSPTLOC-FCHUYYIVSA-N 436.587 5.200 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)CC1 1828356444 HEPCSUMOWSNCEK-PTKYAQDPSA-N 434.580 5.278 30 20 IKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC(C)C)cc2)CC1 1830693142 RKDIYFYBEPPKFB-XMMPIXPASA-N 442.669 5.038 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2c(Cl)cccc2s1 1847530486 FAPXWMPNBGSTJO-OALUTQOASA-N 428.985 5.139 30 20 IKED N#CCSc1nc2ccccc2c(=O)n1-c1cc(C(F)(F)F)ccc1C(F)(F)F 8750890 IGKVGBYSQWLDCQ-UHFFFAOYSA-N 429.345 5.039 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(C(C)C)cc1)[n+]1ccccc1CC 10174365 LPKLIJLPIVBJMM-UHFFFAOYSA-O 431.625 6.273 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2cccc(O)c2)cc1C 10757025 CPTMQQJUFTWRMD-UHFFFAOYSA-O 429.924 5.140 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2C)nc2cc(-c3ccccc3)sc2c1=O 21494298 ABTWYKFZBOAFSO-UHFFFAOYSA-N 447.585 5.350 30 20 IKED C=CCn1c(S[C@H](C#N)Cc2ccc(C)cc2)nnc1-c1ccc(Br)cc1 24729559 YJWZKMGVVFAGCP-IBGZPJMESA-N 439.382 5.429 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)C(C)(C)C)c1 30424353 FSWUFCNQSCAATF-KRWDZBQOSA-N 449.016 5.228 30 20 IKED COc1cc([C@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)ccc1OC(C)C 60974360 AESLERKNKZMOLF-FQEVSTJZSA-N 430.548 5.784 30 20 IKED C=CCN(C(=O)c1nn(CC(C)C)c(=O)c2ccccc12)c1nc(-c2ccccc2)cs1 301150192 XHHSEAKMVSPUAX-UHFFFAOYSA-N 444.560 5.009 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 409799150 VXVUFQMDBNQZHL-OALUTQOASA-N 438.314 6.103 30 20 IKED Cn1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c2ccccc2c1=O 428177243 ORMZRHUFNODKDI-OAQYLSRUSA-N 427.891 5.100 30 20 IKED C[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1noc(Cc2ccccc2)n1 430561426 LLRRLEUGOZBZRN-QGZVFWFLSA-N 440.528 5.174 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4ncc(C(C)(C)C)s4)cc3)o2)c1 430604207 PPTWVJHFESQQDP-IBGZPJMESA-N 442.544 5.956 30 20 IKED CCN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)C(c1ccccc1)c1ccccc1 430986629 HLLHNXNMJZNYBU-UHFFFAOYSA-N 439.559 5.352 30 20 IKED O=C(N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)N1CC[C@H](CC(F)(F)F)C1 434180717 RRYWQJWAMXGNBM-SKDRFNHKSA-N 438.290 5.173 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)N1CC[C@@H](CC(F)(F)F)C1 434336437 YETZJMKAMVWYMQ-GWCFXTLKSA-N 436.318 5.683 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)C(=O)Nc3ccc(SC4CCCC4)cc3)n2)c1 437430356 KLNIKHYENKVKOI-UHFFFAOYSA-N 448.573 5.294 30 20 IKED O=C(Nc1ccccc1CC(F)(F)F)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 439422630 LRQXKQODCQECKZ-UHFFFAOYSA-N 448.382 6.303 30 20 IKED N#CCC[C@@H](NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccccc1 439669482 CMKKEIYDGYUKPD-RPWUZVMVSA-N 445.950 5.362 30 20 IKED CCCc1c(NC(=O)Nc2ccc(OC)c(OC(C)C)c2)cnn1-c1cccc(C#N)c1 439676079 VFPIZOAKDMUXQA-UHFFFAOYSA-N 433.512 5.136 30 20 IKED CCCc1c(NC(=O)N2C[C@@H](C)C[C@H]2c2cccc(OC)c2)cnn1-c1cccc(C#N)c1 439676380 WLRJJVKTRXHZMK-BVZFJXPGSA-N 443.551 5.320 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1 439771529 DVEKOHPURCUFNY-FQEVSTJZSA-N 440.547 5.009 30 20 IKED CCCc1c(NC(=O)Cc2csc(-c3cccc(F)c3)n2)cnn1-c1cccc(C#N)c1 440097935 IOCJUUGJMVJPPS-UHFFFAOYSA-N 445.523 5.140 30 20 IKED Cc1c(CSC(C)C)cccc1NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 441050391 NTYXOJWGHIEHEH-MRXNPFEDSA-N 441.622 5.608 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H](Oc2ccccc2Cl)C1 443643657 SFZFRCBIIOEOMD-ZWKOTPCHSA-N 444.000 5.216 30 20 IKED COCCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@@H]1CCCSC1 448018979 SLIBNBSQMXSRDS-TZIWHRDSSA-N 444.000 5.371 30 20 IKED O=C(N1CCC(C(F)(F)F)(C(F)(F)F)C1)C1(c2cccc(C(F)(F)F)c2)CCC1 460127499 FWBHYEMBFUOXSU-UHFFFAOYSA-N 433.314 5.470 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)CCc2nnc(-c3ccsc3)o2)c1 460340542 UGLRLEBXLSZYDE-UHFFFAOYSA-N 448.935 5.489 30 20 IKED COCCN(C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)c1ccc(C#N)cc1 460352840 DRSBEOMXFGVJIQ-UHFFFAOYSA-N 432.332 5.282 30 20 IKED C=CCN(C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 463099264 PVQWNYKGTSOHAA-WPFOTENUSA-N 446.572 5.048 30 20 IKED CCN(C(=O)[C@@H](C)c1cccc(C#N)c1)[C@@H](c1ccc(Br)cc1)c1cccnc1 463818640 PYDNOVMLIHSGRX-SBUREZEXSA-N 448.364 5.457 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1 463932749 UGKZMYPYEIQJSG-UHFFFAOYSA-N 445.975 5.958 30 20 IKED CC(C)(C(=O)N[C@H](C#N)c1ccccc1F)c1csc(-c2c(F)cccc2Cl)n1 464406330 PWPSQWQSVRCZTJ-MRXNPFEDSA-N 431.895 5.400 30 20 IKED CC[C@H](NC(=O)Nc1ccc(F)cc1OCC(F)(F)F)c1nc(C(F)(F)F)cs1 467692106 RBULQTNZMWZLRZ-VIFPVBQESA-N 445.360 5.515 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCO[C@H](c2ccsc2)C1 467854168 VBBICFKEUDVYEP-QHCPKHFHSA-N 433.533 5.113 30 20 IKED CCCCN(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[C@H](C)c1ccccc1 470546993 OYMXAGYJXOSBCT-HXUWFJFHSA-N 432.568 5.665 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 471102969 DRYNMSGUJJRHEI-IBGZPJMESA-N 440.503 5.603 30 20 IKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cc1 474444707 ICKTYSGQPYPAMW-LJQANCHMSA-N 449.601 5.796 30 20 IKED CCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 474959528 HHNINSDEZFNFFQ-UHFFFAOYSA-N 448.935 5.729 30 20 IKED Cn1ccnc1[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1ccc(F)cc1 479517355 ODMZUDSHHPPHDH-HSZRJFAPSA-N 442.519 5.101 30 20 IKED N#Cc1ccc(SCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)cc1 482018675 WZGNEVYMOAYTMW-UHFFFAOYSA-N 445.422 5.153 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 482370923 VZEHTXCKAFQOOB-SFHVURJKSA-N 441.375 5.578 30 20 IKED Cc1cc(-c2cc(C(=O)N(CCC#N)CC(F)(F)F)c3cnn(C(C)C)c3n2)c(C)s1 482650548 VEXULHWCMKQVBY-UHFFFAOYSA-N 449.502 5.276 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(-c2noc(C(F)(F)F)n2)c1 483602186 PUUVMTINBKGWEC-UHFFFAOYSA-N 448.449 5.143 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCN(Cc4ccc(Cl)s4)CC3)c2)cc1 484983986 LVWDCIAISMQTOW-UHFFFAOYSA-N 437.952 5.023 30 20 IKED C=CCSc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O 486432482 KMRZSIWJLVARTA-UHFFFAOYSA-N 432.476 5.157 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CSc2ccc(Br)cc21 488334832 XBDPFJTUCSFOQR-LRDDRELGSA-N 448.411 5.812 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](COc1ccccc1F)C(C)(C)C 490311700 ACBQAEIEZUPSHB-IERDGZPVSA-N 429.561 5.693 30 20 IKED COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 494007263 PMOALZVEGVKPQC-UHFFFAOYSA-N 449.488 5.250 30 20 IKED CC(C)NC(=O)c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 502213964 TZDMJJIAEVRFOM-QFIPXVFZSA-N 431.923 5.386 30 20 IKED N#CCCCn1cc(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)c2ccccc21 505983736 BYUHXQXYPRHNCA-UHFFFAOYSA-N 426.442 5.075 30 20 IKED C=CCSc1ccccc1NC(=O)CNc1ccc(C(=O)Nc2ccccc2OC)cc1 510022194 ZCTZSHGFGNQUON-UHFFFAOYSA-N 447.560 5.276 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C 510245542 UKZMZYCEIXTROP-UHFFFAOYSA-N 445.548 5.572 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(C)n(Cc2ccccn2)c1C 510282275 IXSLXUIQCKZDIY-UHFFFAOYSA-N 436.515 5.773 30 20 IKED CC(C)(C)n1cc(C#N)c(NC(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)n1 510380976 VSTCPNAAJJGPRM-UHFFFAOYSA-N 430.295 5.256 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccc(CN3CCCC3)cc2)cc1 510525891 XCIXBNLDNRFDKZ-UHFFFAOYSA-N 426.520 5.268 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1(c2ccc(Cl)cc2)CCOCC1 512844237 MLBIQGTZXBTERW-UHFFFAOYSA-N 446.934 5.999 30 20 IKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2cccc(-c3cccs3)c2)CC1 513971024 BVRBSMOHPXYDNP-UHFFFAOYSA-N 439.544 5.189 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)n1 514364392 CWMQIMLJIGBLKN-LLVKDONJSA-N 445.869 5.212 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1cccc(C(F)(F)F)c1 515043467 SHDPBRGYEVVDFN-UHFFFAOYSA-N 427.382 5.090 30 20 IKED C[C@H](c1c(F)cccc1F)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 516366520 KYHOALXNQSBVGK-DNVCBOLYSA-N 439.893 6.499 30 20 IKED C=CCn1c(Sc2cc(CC)nc(-c3ccncc3)n2)nnc1-c1ccc(Cl)cc1 517579478 HPKDKZYDLHZIMZ-UHFFFAOYSA-N 434.956 5.350 30 20 IKED C[C@H](NC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)c1ccc(C#N)cc1 518916370 CZACISNZBNBZHN-KRWDZBQOSA-N 444.922 5.018 30 20 IKED Cc1sc(-c2ccco2)nc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 519941627 KWYXTNUYFAXZSA-NSHDSACASA-N 427.457 5.603 30 20 IKED Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cnn1Cc1ccccc1 521733215 BDRTVYDAOKNVIV-UHFFFAOYSA-N 444.482 5.517 30 20 IKED CN1C(=O)CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c2ccccc21 523096897 AZMPSWBKRNRBRL-UHFFFAOYSA-N 431.879 5.017 30 20 IKED Cc1cccnc1[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(C)C 523766699 RXZHYIIIJRBGEQ-QHCPKHFHSA-N 432.499 5.499 30 20 IKED CCC(C)(C)NC(=O)[C@@H](C)SCc1ccc(OCc2cccc(C#N)c2)c(OC)c1 523939035 SIKSKRUQMQKJAX-QGZVFWFLSA-N 426.582 5.072 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 525667918 IRRGXPFWHIEEAS-PKTZIBPZSA-N 442.490 5.114 30 20 IKED CC[C@@H](C)n1c(SCC(=O)N[C@@](C)(C#N)CCc2ccccc2)nnc1-c1ccccc1 533368902 ABAJUOUPQFYNGJ-KBMIEXCESA-N 447.608 5.039 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(CN(CC(C)C)c2ccc(C#N)cc2)cs1 533762202 SYIPQIAZJIHDAQ-UHFFFAOYSA-N 438.984 6.015 30 20 IKED N#CC1(c2ccc(C(=O)Nc3ccc(Br)cc3-c3nc(C4CC4)no3)cc2)CC1 539655059 QNQAJVBUZNVPSH-UHFFFAOYSA-N 449.308 5.184 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@@H](C)c2ncc(-c3ccccc3)o2)n(C2CCCC2)c1C 541638831 XQFMXQRZWFDRTI-KRWDZBQOSA-N 431.540 5.036 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1Cc2ccccc2OC[C@@H]1C 542023787 GALJUEJBEGPHTO-IBGZPJMESA-N 427.504 5.261 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@@H](CC(F)(F)F)c2ccccc2)n1 542962837 SXKHPQKMEKJECD-INIZCTEOSA-N 433.821 5.213 30 20 IKED C[C@H](NC(=O)N1CC[C@H](n2ncc3ccccc32)C1)c1ccc(-c2cccc(C#N)c2)cc1 543018049 UAKAQPMOQDLALM-DFBJGRDBSA-N 435.531 5.293 30 20 IKED C[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)c1cccc(NC(=O)Cc2ccccc2F)c1 543462831 OUQIXUCQDPLYHJ-OAHLLOKOSA-N 435.886 5.023 30 20 IKED C[C@@H](NC(=O)C1(c2ccc(F)cc2)CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 543855574 DPFANLDLPNHECA-LJQANCHMSA-N 428.507 5.290 30 20 IKED CC(C)c1c(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cnn1-c1ccc(F)cc1 543894873 XNCFNDDDMBJHPC-UHFFFAOYSA-N 448.889 5.098 30 20 IKED Cc1c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nnn1Cc1ccccc1F 549124884 IYDOYERIAVHZRB-UHFFFAOYSA-N 446.326 5.064 30 20 IKED C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 549272486 HTGITDWRLUYLGO-FQEVSTJZSA-N 445.611 5.053 30 20 IKED CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(=Cc2cccc(F)c2)CC1 549361682 NIASXRUAPJQSNL-UHFFFAOYSA-N 445.542 5.066 30 20 IKED Cc1cn(-c2ccc(F)cc2)nc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 549412036 HQTFBKWEOFLJME-OAHLLOKOSA-N 438.434 5.212 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccccc2Cn2ccnc2)cc1 552525397 NHHNXNDCJLAAKV-UHFFFAOYSA-N 438.556 5.025 30 20 IKED COc1ccccc1O[C@H]1CCCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 554443079 OTJAKIISOPPRJC-ROUUACIJSA-N 425.554 5.022 30 20 IKED COc1cc(OC)c2ncc(C#N)c(Nc3ccc(F)c(NC(=O)c4ccoc4C)c3)c2c1 557491308 DKVATLITZJAEPA-UHFFFAOYSA-N 446.438 5.160 30 20 IKED C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(C)(COC)CC1 558994296 DOTHDVRXOZSWFQ-UHFFFAOYSA-N 437.613 5.206 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1 561186145 XQQPXMULOSOSOU-CYXNTTPDSA-N 438.527 5.304 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1ccc(Oc2cccnc2)cc1 561786681 WLRAHSLMJJDKQL-RTBURBONSA-N 446.576 5.557 30 20 IKED C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1CC[C@H](OCc2c(C)noc2C)C1 572426729 NEJUQACAYJMGIR-NRFANRHFSA-N 443.551 5.075 30 20 IKED C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 572703302 MSBPNWUQQBAFLH-UHFFFAOYSA-N 443.395 5.324 30 20 IKED C=CC1CCN(C(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)CC1 573351656 YPHBKKPSRWLGEU-UHFFFAOYSA-N 431.458 5.065 30 20 IKED CC1(C)CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)[C@H]1C1CC1 574965133 IOYQKMLQILAWQX-KRWDZBQOSA-N 434.487 5.277 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F 581150008 IUWSLIWOKXBMHU-UHFFFAOYSA-N 448.894 5.690 30 20 IKED C=CCn1c(SCc2nnc(C(C)C)o2)nc2scc(-c3cccs3)c2c1=O 588783259 IHNBSAZJRBXILU-UHFFFAOYSA-N 430.580 5.171 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N2CC(Cc3cccc(C(F)(F)F)c3)C2)c1 590422311 AUINIVBAIBBUDJ-UHFFFAOYSA-N 440.421 5.064 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(C[C@@H](C)c3ccccc3)o2)c1 597705544 GRYCGOWPXNRHNW-UXHICEINSA-N 448.592 5.460 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)Cc3csc(-c4ccc(Cl)cc4)n3)cn2)c1 603624287 ZBJDQTJEVPAVCJ-UHFFFAOYSA-N 446.919 5.704 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)ccc1OC(C)C 603693500 XFWXUOGFOSFHRJ-KRWDZBQOSA-N 446.507 5.424 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 603935182 KWPNCXZVZFNLGI-UHFFFAOYSA-N 432.471 5.438 30 20 IKED N#Cc1cccc(CS(=O)(=O)N[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)c1 604042426 SWVHITIMGZVTHO-OAQYLSRUSA-N 431.344 5.074 30 20 IKED O=C(Nc1cc(F)ccc1SCC(F)F)c1ccc(OCC(F)(F)C(F)F)nc1 606220794 ADAAEQMMOHCEBS-UHFFFAOYSA-N 442.356 5.109 30 20 IKED C[C@@H](NC(=O)c1ccccc1C(=O)c1ccc(Br)cc1)c1cccc(C#N)c1 608482068 XWSQKZINHDTHAK-OAHLLOKOSA-N 433.305 5.043 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(OCCC(C)C)CC1 609078891 SSMQBTJZXLSYTG-UHFFFAOYSA-N 435.568 5.505 30 20 IKED Cc1csc([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)n1 609079885 NCZJJOKTRCORMT-AWEZNQCLSA-N 426.929 5.438 30 20 IKED CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)c1C 609427578 LZBLSRYNXNGSAW-MRXNPFEDSA-N 448.548 5.004 30 20 IKED CCN(C(=O)c1cc2ccccc2n1CC#N)[C@@H](c1ccc(Cl)cc1)c1cccnc1 609577238 FCUXBOMNWWNSJS-DEOSSOPVSA-N 428.923 5.465 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCCC[C@H]2c2ccco2)cc1Cl 609928172 LIMNWYXNUGFAHR-GGAORHGYSA-N 433.939 6.738 30 20 IKED C[C@@H](CCC1CCCCC1)NC(=O)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 609946894 AROGWYXSDBEHLZ-FQEVSTJZSA-N 447.579 5.135 30 20 IKED Cn1cc(-c2csc(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)n2)cn1 610184078 BZTLSLPIAXIOFO-UHFFFAOYSA-N 435.896 5.113 30 20 IKED CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(OCCCC#N)c2)c1 610224655 CAPHUNOHBAPXSS-UHFFFAOYSA-N 427.932 5.650 30 20 IKED N#C[C@H](NC(=O)c1ccccc1Oc1cccnc1)c1ccc(OCc2ccccc2)cc1 611249423 GSYXFUVPYPDGLQ-VWLOTQADSA-N 435.483 5.448 30 20 IKED N#C[C@H](C(=O)c1ccc(CSc2ccccc2)cc1)c1nc2ccccc2n1C(F)F 613404641 UTHLDEFXLVDONO-LJQANCHMSA-N 433.483 6.214 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3Cc4cccc(Br)c4C3)cc2)cc1 613771709 QXERYESVQWULQM-UHFFFAOYSA-N 434.293 5.661 30 20 IKED C=CCn1c(SCc2cccc(C(=O)Nc3ccccc3)c2)nc2sccc2c1=O 614382430 FOPIOVXJZQMQOS-UHFFFAOYSA-N 433.558 5.189 30 20 IKED C[C@@H](NC(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1cccc(C#N)c1 616044358 BNPOVSLDQSNYQC-ZHRRBRCNSA-N 449.352 5.060 30 20 IKED CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)NCc1ccc(C#N)c(Cl)c1 619770353 QTFTVCISUVNEDJ-UHFFFAOYSA-N 435.959 5.156 30 20 IKED Cn1ncc(C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)c(F)c2)c1C(F)(F)F 620355824 FEOKNKIFPSASOG-UHFFFAOYSA-N 447.310 5.641 30 20 IKED C=CCc1ccc(OCC(=O)N(c2nc3ccccc3s2)c2ccccc2C)c(OC)c1 630049797 YDWHQQWYOYIDJU-UHFFFAOYSA-N 444.556 6.086 30 20 IKED CSc1cccc(F)c1CNC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 672558007 JCJXGJVVYQHAJK-URLYPYJESA-N 432.405 5.256 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2ccc(CCC(F)(F)F)cc2)c1C(F)F 676181401 KJUCLUIZJTUYRV-UHFFFAOYSA-N 429.311 5.607 30 20 IKED Cn1c(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)ccc1-c1ccccc1Br 726318632 OFWKVMJLZIVGQP-KRWDZBQOSA-N 430.305 5.493 30 20 IKED C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N\[C@H](C)c1cccs1 726419028 GOYMOSMANYRKLX-HYPBDSNUSA-N 448.013 5.286 30 20 IKED Cc1oc(-c2ccsc2)nc1CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 727050858 MGQBFGUISFMMAR-ZDUSSCGKSA-N 441.484 5.532 30 20 IKED C#Cc1cccc(NC(=S)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)c1 728794311 YQXALNUWFJRRCF-UHFFFAOYSA-N 439.462 5.748 30 20 IKED Cc1csc(Nc2cccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)c2)n1 729336773 RSGPXQDZENXGIV-UHFFFAOYSA-N 430.489 5.491 30 20 IKED Cc1c(C(=O)/C=C/c2ccc(OCc3occc3C(=O)O)cc2)cnn1-c1ccc(F)cc1 730949576 YHGCEAPNCLUIME-NYYWCZLTSA-N 446.434 5.086 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 731060715 OGYROMRAKKPFLX-RISBCKLPSA-N 440.609 5.559 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 731071552 RUWAFNFCIOPEJQ-INIZCTEOSA-N 449.576 5.655 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCc3sccc3[C@@H]2c2cccs2)c1 734278717 YNSAHSGQNMWKMG-HTAPYJJXSA-N 437.590 5.348 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)Nc2cccc(OCCCC#N)c2)c1 735578685 QZUHXDFUWGIDJF-UHFFFAOYSA-N 428.464 5.499 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCc3cccc(Br)c3C2)cc1 735745624 UAEDBGVBWKZZNR-UHFFFAOYSA-N 448.320 5.703 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)C[C@H](C)c2cccc(C(F)(F)F)c2)ccc1OC 737553127 KPVAVAZLINZVHN-KXBFYZLASA-N 434.458 5.205 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(c2cccs2)CCCCC1 738705265 ZJNKXEQMRIVJKS-KRWDZBQOSA-N 442.606 5.526 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2C)cs1)c1ccc(F)cc1F 739424396 IZZWOYFPKNMEDG-VMPITWQZSA-N 443.431 5.219 30 20 IKED C[C@@](O)(CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1cccs1 740445243 UVYIJNKYZFXWHM-OAQYLSRUSA-N 427.913 5.095 30 20 IKED Cc1csc(-c2cccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2)n1 740530002 YXKAXZZLIXTILN-QGZVFWFLSA-N 443.500 5.394 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H]3C[C@@H](O)c3ccc(F)cc3)c2)cc1 746241864 PQXYJNLTCZMILD-RCZVLFRGSA-N 430.479 5.218 30 20 IKED COc1ccc(-c2cnc(CCC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)o2)cc1 746363964 BYCJTOCNQCNZTF-DEOSSOPVSA-N 437.499 5.577 30 20 IKED COc1cc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)ccc1SC 746485321 IUYKNFRPGSSQTP-UHFFFAOYSA-N 425.366 5.153 30 20 IKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)Oc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 748684136 WIDKIUZVVFMZQJ-INIZCTEOSA-N 432.501 5.395 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1cc(Cl)sc1Cl)C(=O)Nc1ccccc1Cl 756232752 FXJKAWBVELDMNO-JTQLQIEISA-N 429.712 5.019 30 20 IKED C=CCN(CC1CCCCC1)C(=O)Nc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1 758176154 AHNLXHLAAUMVRK-UHFFFAOYSA-N 445.608 5.055 30 20 IKED COc1ccc(C(=O)CC(C)(C)CC(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1 760200908 FCRREPLFYLTZIZ-LJQANCHMSA-N 433.533 5.079 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)c3cc4sc(Nc5ccccc5)nc4s3)CCO2)c1 762300507 SBVRAEWNFFNUGT-GOSISDBHSA-N 446.557 5.187 30 20 IKED O=C1/C(=C\c2cccc(F)c2F)CC(O)(C(F)(F)F)C/C1=C\c1cccc(F)c1F 764431359 BNAIPIFOMBZVDA-MFUUIURDSA-N 430.319 5.366 30 20 IKED C=C(C)Cn1c(SCC(=O)N2CCCSc3cc(C)ccc32)nnc1-c1ccco1 778274328 WIUXWCNDJKBILQ-UHFFFAOYSA-N 440.594 5.044 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)NC1(c2cccc(C#N)c2)CC1 779705727 IVHKGMVJOFPHAM-QFIPXVFZSA-N 446.551 5.271 30 20 IKED COCc1c(C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)oc2ccccc12 787054395 VEXDVSCMIJIRCB-BLLLJJGKSA-N 445.302 5.086 30 20 IKED COc1ccccc1-c1csc(C2CCN(C(=S)Nc3ccccc3C#N)CC2)n1 790353748 JRESXHFHADQELA-UHFFFAOYSA-N 434.590 5.267 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1nccc2ccccc12 792104914 YZFTYFSAXLJVHQ-LJQANCHMSA-N 437.446 5.796 30 20 IKED CC(C)c1c(Cl)ncnc1NN=Cc1cn(Cc2ccccc2)nc1-c1cccnc1 797403979 DONDVOOADMBRFP-UHFFFAOYSA-N 431.931 5.006 30 20 IKED Cc1cc([C@@H]2CCCN2C(=O)Nc2ccccc2O[C@@H](C)C#N)ccc1Br 797643106 SQSYAADIBVJAPS-KXBFYZLASA-N 428.330 5.417 30 20 IKED CC(=NNc1c(Br)cccc1Br)c1c(C)nn(C(C)C)c1C 800820808 WFFTXTSFDZEWSR-UHFFFAOYSA-N 428.172 5.442 30 20 IKED CC(C)n1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(C2CCOCC2)n1 856621644 KVGCKNWKCNQOLH-UHFFFAOYSA-N 444.535 5.061 30 20 IKED CC(C)N(C)C(=O)c1ccc(Cl)c(NCc2cccc(OCc3cccc(C#N)c3)c2)c1 864003793 PAOGGVBAUFSCRV-UHFFFAOYSA-N 447.966 5.883 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 914512127 JAKSEJRGOUIEAA-UHFFFAOYSA-N 436.511 5.693 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 915087198 QIYKUNIFAHUDJK-QWRLVCTISA-N 441.575 5.003 30 20 IKED COC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 915102889 KCDAYIBMIVHBRN-WGERFFLFSA-N 435.549 5.279 30 20 IKED N#C[C@@H](C(=O)[C@H](Sc1ccccc1)c1ccccc1)c1nc2ccccc2n1C(F)F 915106596 FBKXKJHKIQUFNU-PGRDOPGGSA-N 433.483 6.141 30 20 IKED COc1cc(C(=O)/C=C/c2c(C)nn(-c3ccc(Cl)cc3)c2Cl)cc(OC)c1OC 916137941 VXFZNTYXOQACMQ-MDZDMXLPSA-N 447.318 5.409 30 20 IKED N#C[C@H](C(=O)CCCCc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1 916884205 SPIFGANQDSMQGW-GOSISDBHSA-N 433.733 5.163 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(-c2ccc(F)cc2)s1 916886734 JOIHRPPZHWKTHJ-INIZCTEOSA-N 446.475 5.830 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(C)n(Cc2ccccc2)c1C 916904225 YSQABTCNTZVGFF-DEOSSOPVSA-N 427.548 5.239 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccccc2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997539 WCHFJTSSBNQVJE-HNNXBMFYSA-N 440.315 5.188 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)c(C)n1-c1ccc(Br)cc1 917510080 LGXIKWDTZFFFNB-GOSISDBHSA-N 434.293 5.488 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCCOc1ccc(Cl)cc1Cl 920105749 FCDVJXCMJAEAIL-MRXNPFEDSA-N 429.303 5.534 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Sc3ccc(Cl)cc3)n2)cc1 920138870 LLFLGRUIMCVTEG-UGSOOPFHSA-N 428.966 5.829 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4ccoc4s3)cc2)CCC1 1788415809 XKDOTGACIHXPSI-OAHLLOKOSA-N 439.537 5.043 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccncc3C(F)(F)F)cc2)CCC1 1788786588 QYHSNDVAJUHEKG-HNNXBMFYSA-N 431.458 5.060 30 20 IKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3ccc(C4CC4)cc3)cc2)CCC1 1790784418 NPQIRWGUAWVNOW-OGLMXYFKSA-N 441.531 5.024 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)C1 1804857702 SQBFFVSHYSPTRM-PKTZIBPZSA-N 440.603 5.153 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sccc2Cl)[nH]n1 1814830111 PHMGIWLCOYQJGH-QGZVFWFLSA-N 432.977 5.199 30 20 IKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCC3CCC3)CC2)c1Cl 1824354365 QXKWIYWNTFOXQK-QFIPXVFZSA-N 442.003 5.025 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(F)c2C)CC1 1828824137 KPOBONWOYPTNRV-XUZZJYLKSA-N 426.576 5.136 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)nc(CC)c2)CC1 1829066566 JOIXUOLHWLOEDK-DEOSSOPVSA-N 439.644 5.178 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)CC1 1831373327 CKBTXHBKPAHVGZ-HYBUGGRVSA-N 440.628 5.309 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(C)cc2F)CC1 1832623380 OCWITKKQCNBUGK-RDPSFJRHSA-N 444.566 5.275 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1F)=C(/S)Nc1ccccc1Cl 10826944 DVUFAVIDQFHQSE-UHFFFAOYSA-O 431.915 5.519 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2cccc(Cl)c2C)cc1 11258401 PFCMVSAGTZUTCL-UHFFFAOYSA-O 438.016 6.166 30 20 IKED C=CCn1c(S[C@H](CCCC)C(=O)Nc2cc(C)on2)nnc1-c1ccc(Cl)cc1 11809930 RJGPJHBFIRYTQA-QGZVFWFLSA-N 445.976 5.371 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 15248329 QEILBTGSGITJTP-UHFFFAOYSA-O 438.016 6.248 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)CCc3ccc(-c4ccccc4)o3)s2)cc1 21335301 CSEKVMPCPJHNPH-UHFFFAOYSA-N 446.557 5.533 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3occc3COc3ccccc3)s2)cc1 22240627 MRPOKYYRIYKPFG-UHFFFAOYSA-N 448.529 5.126 30 20 IKED C=CCn1c(SCC(=O)N(C)c2ccccc2)nc2scc(-c3ccccc3)c2c1=O 28380657 VLGPPOVBOYJODB-UHFFFAOYSA-N 447.585 5.066 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCSCC2)cc1 58834737 WNOUAJCNKLELSL-XMMPIXPASA-N 429.545 5.079 30 20 IKED CC(C)c1cc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c2cnn(C(C)C)c2n1 60461684 UAIHNWCPNONHIT-UHFFFAOYSA-N 445.445 5.201 30 20 IKED C=CCc1cc(C(=O)N(Cc2csc(C)n2)c2ccc(F)cc2)cc(OC)c1OC 60830183 ISUGOIMWPFZUTR-UHFFFAOYSA-N 426.513 5.183 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 63644325 ZMZFEUOSIKTHLW-UHFFFAOYSA-N 437.499 5.169 30 20 IKED CCc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1-c1ccccc1 64715305 MPXCOKGJGGXJNT-HNNXBMFYSA-N 434.471 5.326 30 20 IKED O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccc(N2CCC(O)CC2)cc1 97572475 SHDVNKRGIONAOM-PKNBQFBNSA-N 434.517 5.181 30 20 IKED N#Cc1c(NC(=O)CCN2CCc3sccc3[C@H]2c2cccs2)sc2c1CCC2 105419617 LKCYLBSIXKWRKM-NRFANRHFSA-N 439.631 5.208 30 20 IKED N#C[C@@H](C(=O)CCCOc1cccc(Cl)c1Cl)c1nc2ccccc2n1C(F)F 195720743 OPTCOGSZZXNRMA-LBPRGKRZSA-N 438.261 5.774 30 20 IKED COc1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)cc1OCC(F)(F)F 237333770 UGVVVEKJIYOONN-UHFFFAOYSA-N 430.430 5.026 30 20 IKED CS(=O)(=O)c1cccc([C@H](Nc2cc(C#N)nc3ccccc23)c2ccc(Cl)cc2)c1 301458564 IJHJFNVZWQMYGZ-XMMPIXPASA-N 447.947 5.365 30 20 IKED COc1ccc(-c2nc3c(s2)[C@H](NC(=O)c2cccc(SCC#N)c2)CCC3)cc1 430924767 JHDJZQBDEXNQQC-LJQANCHMSA-N 435.574 5.242 30 20 IKED C=CCn1c(SCC(=O)Nc2c(Cl)ccc(C)c2C)nnc1-c1ccc(Cl)cc1 434022133 NSUYTEZFRBZTSQ-UHFFFAOYSA-N 447.391 5.786 30 20 IKED N#C[C@H](C(=O)c1occc1Br)c1nc(-c2ccc(Cl)cc2Cl)cs1 435450236 AODIACBIEGYODZ-SNVBAGLBSA-N 442.121 5.962 30 20 IKED C[C@@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)Oc1ccccc1F 437954180 MMGIRLSVAUPSKR-INIZCTEOSA-N 437.446 5.004 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F 437972719 SFCSQIMUWIYONZ-DWXRJYCRSA-N 443.522 6.200 30 20 IKED C[C@H](c1cccnc1)N(C)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 438548702 WXOJXGUYYLEWJP-OAHLLOKOSA-N 440.425 5.989 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)c1 439362520 VWTTUXLASYKTAV-UHFFFAOYSA-N 431.492 5.023 30 20 IKED Cn1nccc1[C@@H]1CCCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 439513974 NWOGIHMWUFDQPC-QFIPXVFZSA-N 449.942 5.283 30 20 IKED CCCc1c(NC(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)cnn1-c1cccc(C#N)c1 439688276 PWLSSYWXAKYERQ-OSPHWJPCSA-N 431.515 5.451 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCCC[C@@H]1c1ccc(F)cc1F 442311897 CHAHLJLMCKDZSQ-MGPUTAFESA-N 443.519 5.051 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(F)c(Br)c3)n2)cc1 442865876 VIEIFBDRGISMTF-AWEZNQCLSA-N 431.286 5.210 30 20 IKED O=C(Nc1cccc(C(F)F)c1)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444827377 JVOMIHWOFXAGKV-CQSZACIVSA-N 426.307 6.458 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2cccc(-c3ccccn3)c2C)c1C#N 445568399 YDEBTUHMPCGMBB-UHFFFAOYSA-N 425.517 5.089 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)c1 460274627 BPZAMOIGJNVFAF-UHFFFAOYSA-N 448.482 5.037 30 20 IKED COCCN(C(=O)c1oc2ccccc2c1CSc1cccs1)c1ccc(C#N)cc1 460359466 FVXCIKZHZOSBDV-UHFFFAOYSA-N 448.569 5.951 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(-c2ccccc2)ns1 461997055 SCVNBLACGHUQSB-UHFFFAOYSA-N 425.513 5.822 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CCN(c2ccccc2Cl)C1 463389882 GHUJOVZOVJSFAZ-SFHVURJKSA-N 432.911 5.172 30 20 IKED C[C@H](C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1)c1cccc(C#N)c1 463601321 XKGHNAIXOHPULI-HNNXBMFYSA-N 435.886 5.023 30 20 IKED Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 464293542 IIOMVCRAHVHTFI-CYBMUJFWSA-N 442.441 5.462 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCCCC[C@H]3CC(=O)c3ccccc3)cc2)nc1 467530669 IHKGQWWRXCYZCC-QHCPKHFHSA-N 439.515 5.403 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 476134666 FOGOEHDDMBTAFZ-UHFFFAOYSA-N 436.577 5.860 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)C[C@H](CC#N)c1ccccc1 476686304 IVMXTBLFHGDZKA-IBGZPJMESA-N 431.923 5.927 30 20 IKED C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc2nc(C(C)C)sc2c1)c1ccc(F)c(F)c1 477678327 YEXDSSCFAMYYJK-LJQANCHMSA-N 429.492 5.070 30 20 IKED Cc1cc2occ(CC(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)c2cc1C(C)C 479225431 YGAKQYVAWZNISK-UHFFFAOYSA-N 429.564 5.082 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)cc1 483478154 CDTXAJYODOGMPR-WIYYLYMNSA-N 445.485 5.822 30 20 IKED CCOC(=O)c1csc([C@H]2CCCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)n1 484146622 QKTYYUGMIFXSKU-WMLDXEAASA-N 444.582 5.083 30 20 IKED N#C[C@@H](C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(C(F)(F)F)cn1 487934676 XKPSJZKRFCXKBC-GOSISDBHSA-N 443.406 5.650 30 20 IKED Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)nc(C(F)(F)F)n1 488373923 XQBIFJSXPFDJMV-UHFFFAOYSA-N 434.365 5.081 30 20 IKED COc1ccc(CN[C@H]2c3cc(Br)ccc3CC2(C)C)cc1OCCCC#N 494316268 SXBKZRDXFFODMC-QFIPXVFZSA-N 443.385 5.553 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 500747314 XUEULALXCBRHTH-SFHVURJKSA-N 445.906 5.304 30 20 IKED Cc1cc(C)n(Cc2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2)n1 501305948 FWEVNEAXMRDTQQ-JOCHJYFZSA-N 437.528 5.034 30 20 IKED COCCOc1ccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 502233594 OISOKFMOKTUZOJ-JOCHJYFZSA-N 435.911 5.665 30 20 IKED C=CCn1c(-c2cccc3ccccc23)nnc1N1CCC2(CC1)OCCc1ccsc12 508512166 XYDHKXKULMOEJB-UHFFFAOYSA-N 442.588 5.414 30 20 IKED C=CCN(C(=O)C[C@H](C)C1CCCCC1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 508778675 NLJZJKINXRBNEU-KRWDZBQOSA-N 446.638 5.339 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 509637937 SENFLOIXRABXCW-NHCUHLMSSA-N 436.474 5.215 30 20 IKED Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 510107686 AWSLTSTXOATILV-VWRAKTAISA-N 447.583 5.152 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccccc1CN(C)C(C)C 510520931 MFHPPRYCOLISIP-UHFFFAOYSA-N 442.563 5.821 30 20 IKED CC[C@H](C)n1ncc2c(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cc(C)nc21 510855057 TWLFUVHXYRYGAN-SFHVURJKSA-N 439.519 5.414 30 20 IKED COc1ccc(CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C2CC2)cc1 510859133 ZXZCFSSLGFKPCF-UHFFFAOYSA-N 427.504 5.864 30 20 IKED N#Cc1cc(NC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)ccc1Cl 512301058 SZAASKOJVUPZSU-UHFFFAOYSA-N 429.863 5.391 30 20 IKED N#Cc1ccc(N2CC[C@H](Sc3nnc(-c4ccc(F)cc4)c4ccccc34)C2=O)cc1 515175289 XIKCUGJXVSKYGM-QFIPXVFZSA-N 440.503 5.205 30 20 IKED N#C[C@@H](C(=O)c1sc2cc(Cl)ccc2c1Cl)c1nc2ccccc2n1C(F)F 515540513 XRQCGYKNYVGXEX-NSHDSACASA-N 436.270 6.443 30 20 IKED CN(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1cccc(C#N)c1 516823703 UIUXDGOOBIVAQV-UHFFFAOYSA-N 426.907 5.270 30 20 IKED CCC(CC)[C@@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccs1 517466072 JFKPVINPVIIAFE-FOIQADDNSA-N 429.611 5.232 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CSCc3coc(-c4ccccc4)n3)cc2)c1 518731027 MGIFMVZROQZQMW-UHFFFAOYSA-N 441.512 5.877 30 20 IKED N#CCCSc1ccccc1NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 519407138 XOEUGULCBLPULE-UHFFFAOYSA-N 433.455 5.090 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCOc1ccccc1-c1ccccc1 520197205 AHFRBDVOSTVENH-IBGZPJMESA-N 431.561 5.948 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(Cl)c2OCC(F)F)o1 520641054 WVOGVGQKMIDDEU-UHFFFAOYSA-N 432.810 5.280 30 20 IKED Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 520918715 OQDQJTNTCSDPNZ-UHFFFAOYSA-N 439.471 5.787 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc(COCc4ccco4)c3)cc2)cc1 521089269 GVRLEGUXHLSZOA-UHFFFAOYSA-N 438.483 6.107 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 521746461 JIEXXFMOLDFQNE-GOSISDBHSA-N 443.572 5.862 30 20 IKED Cc1cccc(C2(CNC(=O)C(=O)Nc3ccccc3S[C@H](C)CC#N)CCCCC2)c1 521803819 BYZBKNBUDSRUNG-HXUWFJFHSA-N 449.620 5.346 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NC3(c4ccccc4)CCOCC3)cc2F)c1 522133727 ZFOAYKSIXVMWTJ-UHFFFAOYSA-N 445.494 5.104 30 20 IKED Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 533766392 KAZMCPZDNWEBNF-ZDUSSCGKSA-N 440.491 5.613 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)sc1Br 533958612 YNKCWYFNKAUCJF-LBPRGKRZSA-N 433.352 5.441 30 20 IKED CCN(C(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C)c1ccc(C#N)c(Cl)c1 535119989 GAQJSYBAXGHQRX-UHFFFAOYSA-N 449.967 5.932 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CNC1(c2ccc(Br)cc2)CC1 539280323 XQGICDVCQWEKDR-OAHLLOKOSA-N 444.398 5.061 30 20 IKED C=CCn1c(SCCCC2(C#N)CCOCC2)nnc1-c1ccc(Br)cc1 540767940 BCNKYIOYLUUHCA-UHFFFAOYSA-N 447.402 5.086 30 20 IKED Cc1ccc(-c2c(C)sc3nc(CN(Cc4ccc(C#N)cc4)C4CC4)nc(O)c23)cc1 544187909 KAMYISNGFUFALO-UHFFFAOYSA-N 440.572 5.717 30 20 IKED C[C@H]1C[C@@H](C)N1CC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccccn1)CC2(C)C 548098209 DIKLAWSYRGLPML-KCUINEJTSA-N 432.593 5.214 30 20 IKED CCCOc1ccc(-c2csc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)n2)cc1 550469126 QYZROKRVUWOGGX-UHFFFAOYSA-N 432.427 5.137 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 553430445 XUCJHHCAEAHMEQ-UHFFFAOYSA-N 447.560 5.159 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)NCCc3nc(C4CCCCC4)cs3)o2)cc1 554328329 VDSYFQZPZIRKCU-UHFFFAOYSA-N 435.549 5.207 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)CC1 554604195 HKUVRKVFUVTQFQ-OAQYLSRUSA-N 436.968 5.153 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3c(F)cc(F)cc3-c3ccccc3)CC2)c(F)c1 561712348 HZDJTEBSYAUTBB-UHFFFAOYSA-N 435.449 5.498 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N(Cc3ccco3)Cc3cccs3)cc2)ccn1 564195971 LHIMOVWFDHPZSB-UHFFFAOYSA-N 430.489 5.634 30 20 IKED N#Cc1cc(C(F)(F)F)ccc1NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 575321305 WUUIZMMFRBQCMW-UHFFFAOYSA-N 426.320 5.344 30 20 IKED CC(C)(c1noc(CCC(=O)N(CCC#N)c2ccccc2)n1)c1cccc2ccccc12 578344628 BZGINMUJGSAMGM-UHFFFAOYSA-N 438.531 5.428 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CNC1(c2cccc(C(F)(F)F)c2)CC1 581029204 SORNNYSUIMMUCW-OAHLLOKOSA-N 433.499 5.317 30 20 IKED Cc1nc(SCC(=O)N[C@@H](C)c2ccc(Oc3cccnc3)cc2)c(C#N)c(C)c1C 582147555 VGDHAHNVTZNCQM-SFHVURJKSA-N 432.549 5.035 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 588666714 VSXSTUIFAVZMCY-GOSISDBHSA-N 441.375 5.425 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cncc(Cl)c2Br)cc1 589013929 CGOZQZJMWVOTIV-UHFFFAOYSA-N 446.663 5.553 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1)c1ccccc1 590104555 ICKWDIOJCSUPAN-FQEVSTJZSA-N 426.492 5.569 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 590252700 JUPNYTWARBWHJW-UHFFFAOYSA-N 435.343 5.113 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)CCCCc3nc4ccccc4s3)cn2)c1 603623647 KRMQPIKQRHXEQU-UHFFFAOYSA-N 428.517 5.707 30 20 IKED N#Cc1cc(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)ccc1Cl 603952143 FBOXLTMGHRXHHJ-WIOPSUGQSA-N 443.934 5.330 30 20 IKED CCOc1ccc(C(=O)N[C@H](C(=O)Nc2sc(-c3ccccc3)cc2C#N)C(C)C)cc1 603968009 GUAAXWDDTJFACO-QFIPXVFZSA-N 447.560 5.079 30 20 IKED C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604003944 SYVFBFJDZDDTFL-QGZVFWFLSA-N 436.964 6.104 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1Cl 604085199 UVWAJZSYAIBCGF-LADGPHEKSA-N 433.914 6.504 30 20 IKED COc1ccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c(Br)c1 604567165 KVDZZDJRRUVEGS-UHFFFAOYSA-N 439.334 5.409 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 606575158 CYLSUBAXANBEHS-SJLPKXTDSA-N 425.529 5.204 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1ccc2ccccc2n1 608552787 MCEFLMKTYPCKEG-CQSZACIVSA-N 435.270 5.614 30 20 IKED CCc1c(C)sc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)c1C#N 609032673 YTNYMFLYHZPHIB-KRWDZBQOSA-N 436.364 5.041 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 609061010 HOJBQWTYDKGYOL-MZNJEOGPSA-N 439.515 5.293 30 20 IKED Cc1nc(NC(=O)[C@H](Sc2ccccc2F)c2ccccc2)sc1SCC#N 609262147 MFRSTYMAVZJQAO-QGZVFWFLSA-N 429.567 5.678 30 20 IKED CC(=O)N1CCCc2cc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)ccc21 609298901 RKHDPBHBWIUBET-UHFFFAOYSA-N 429.451 5.041 30 20 IKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccccc1[N+](=O)[O-] 609387109 MECRUYUMGJFMCS-LBPRGKRZSA-N 438.431 5.058 30 20 IKED C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(OCc2ccccc2)cc1 609429074 CJGJBHFXDJMNMO-GOSISDBHSA-N 438.574 5.461 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 609436638 QIRBOAQLWKRFSV-AGIUHOORSA-N 439.425 5.675 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)cc1 610683454 BOTDIPDSKIQBRP-SQHAQQRYSA-N 440.543 5.899 30 20 IKED CCOC(=O)CC[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 611050045 DWTVMLZVXWODTC-QGZVFWFLSA-N 439.487 5.077 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@H](C(F)(F)F)CC[C@H]2C)cc1 611556897 UYJSYTDQNFJXJV-GDBMZVCRSA-N 433.430 5.554 30 20 IKED N#CCCCn1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c2ccccc21 618175412 FASWWCYFGLDRFL-GOSISDBHSA-N 428.561 5.575 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCOC[C@H]1c1c(C)nn(-c2ccccc2)c1C 669727270 FMGKRJBKLAUULI-DEOSSOPVSA-N 430.552 5.213 30 20 IKED C=C(C)Cn1c(CCCc2ccccc2)nnc1N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 670201113 IBWUZPMCUZUCEB-IAGOWNOFSA-N 446.439 5.207 30 20 IKED O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674557999 YQYIKLJSAJLKCU-OKILXGFUSA-N 437.315 5.218 30 20 IKED CCN(C[C@H]1CCN(C(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)C1)CC(F)(F)F 681404518 UJXCBZQZZAZEKT-GFCCVEGCSA-N 447.370 5.079 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)ccc1F 730487016 SMRUKQBXNJWKGP-UHFFFAOYSA-N 447.466 6.089 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 731078551 QCCMBHZDODRAKP-YHYVQYDKSA-N 444.556 5.377 30 20 IKED COc1ccccc1-c1nnc(S)n1N=Cc1cccc(OCCCc2ccccc2)c1 731925107 YMIMPLMTPKGJNX-UHFFFAOYSA-N 444.560 5.136 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)cc2)cc1 731963182 FJALBVRXKQMLSP-UHFFFAOYSA-N 445.906 5.577 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)c1 733807035 QFADCHRQAAOQQU-JYFHCDHNSA-N 425.532 5.225 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2c(F)cccc2-n2cccn2)c1 735010897 INPWYBAGDXOYJS-UHFFFAOYSA-N 432.842 5.581 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](Cc2ccccc2)c2sccc2C)c1 736659689 UWRGNUPMWFMDGU-GMAHTHKFSA-N 433.577 5.521 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)c2)s1 739591070 QDJWLILSVJQXPF-UHFFFAOYSA-N 441.343 5.100 30 20 IKED C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 740484907 XOXDNBDTZCFZKJ-CTNGQTDRSA-N 436.625 5.083 30 20 IKED Cc1cccc(C2(O)CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)c1C 743146794 OSYIYKLVXRHSQO-UHFFFAOYSA-N 441.531 5.483 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CC=C(c3cccc4ccccc34)CC2)c1=S 746079150 MKQAEHNMOKBOGX-UHFFFAOYSA-N 439.588 5.562 30 20 IKED CC(C)(C)OC(=O)NC1(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CCC1 747108561 HXNQYPBCQOABBI-INIZCTEOSA-N 445.972 5.477 30 20 IKED CN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@@H](c1ccncc1)c1ccc(Cl)cc1 749011865 GTIUJDKPJJZUQR-HXUWFJFHSA-N 427.360 5.678 30 20 IKED CC[C@H](C)Oc1cc(/C=C(/C(=O)Nc2cccnc2)C(=O)c2ccccc2)ccc1OC 749453527 SNQZRLHEPVRDOL-LUJYGJGBSA-N 430.504 5.173 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCCCC[C@@H]3C[C@H](O)c3ccccc3)o2)cc1 752109587 BJPBPBYOGKXSGR-RDGATRHJSA-N 444.531 5.239 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(COCc3ccco3)c2)cc1C#N 752190100 IFAQVCJBAXFOKR-UHFFFAOYSA-N 434.452 5.080 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)cc1C#N 752307293 JEXPDLRJQLLJFQ-CYBMUJFWSA-N 434.418 5.370 30 20 IKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(CCC(F)(F)F)cc1 752477231 LUYVQOCITGVNDG-MRXNPFEDSA-N 429.225 5.449 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NOCc3ccc(C(F)(F)F)cc3)cn2)c1 755884331 HZWDCJNQXYCAGJ-UHFFFAOYSA-N 428.370 5.018 30 20 IKED C=CCC[C@H](NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccc(C(F)(F)F)cc1 761743423 OJJHCQMQCMLLLT-FCHUYYIVSA-N 443.469 5.367 30 20 IKED C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)N1CCO[C@@H](c2cccc(C#N)c2)C1 761760919 XKRAHLYBMGJWKT-LHSJRXKWSA-N 428.319 5.655 30 20 IKED Cc1cccc(COc2ccc(NC(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)c(C)c2)c1 761844693 JRJPOGAYHXYPMJ-SANMLTNESA-N 441.531 5.360 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 767765018 XKPJKIODXSRHLT-NVXWUHKLSA-N 433.499 5.979 30 20 IKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2cccc(-c3cccnc3)c2)cc1 768482454 JZHUMELFMBIRDU-UHFFFAOYSA-N 429.549 5.213 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)O[C@@H](C#N)Cc3ccc(F)cc3F)ccc21 774337506 OOUHZVDOOUMPIM-OAHLLOKOSA-N 437.368 5.206 30 20 IKED C[C@@H](N[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 774796432 HROKRXJQCHIMSS-HTQZYQBOSA-N 426.307 5.079 30 20 IKED Cc1nc(CCC(=O)OCc2cccc(C#N)c2F)oc1-c1ccc(Br)cc1 774941307 COVGZZLVYCHIFO-UHFFFAOYSA-N 443.272 5.099 30 20 IKED CN(c1ccccc1)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 779196409 CEELUINIVGHHAH-LJQANCHMSA-N 439.302 5.117 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 780677649 GXTMXTKLQOHZQG-MEDUHNTESA-N 429.345 5.004 30 20 IKED C[C@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1)c1ccc(-c2cccc(C#N)c2)cc1 782483941 AFEDQGZNXLOXTR-KRWDZBQOSA-N 445.519 5.334 30 20 IKED CC[C@@H](C#N)Oc1cccc(CN[C@@H](c2cccc(Br)c2)C2CCOCC2)c1 786581675 VJSWVQKIDAEGAD-JTHBVZDNSA-N 443.385 5.388 30 20 IKED Cc1cc(C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)c(C)n1-c1ccc(C#N)cc1 790024274 YXAGISVYBVHCGW-UHFFFAOYSA-N 449.436 5.423 30 20 IKED CCNC(=O)N(C)c1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 794114645 HQXBSVVOVCUUBW-UHFFFAOYSA-N 430.533 5.127 30 20 IKED O=C(/C=C\c1ccc2ccc(Br)cc2n1)c1nc(Br)ccc1F 794970777 NIZPCXKJADISRA-ALCCZGGFSA-N 436.078 5.190 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 804560124 SHPNCEKJCVYWAQ-VWLOTQADSA-N 443.547 5.137 30 20 IKED C=CC[C@H](NC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccncc1 806820917 ZOTPGYJQTAMJOV-KRWDZBQOSA-N 431.380 5.578 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1c[nH]c(C(F)(F)F)c1 807950739 VYKBZMXRGDDICG-UHFFFAOYSA-N 436.846 5.316 30 20 IKED C[C@H](Sc1ccc(Br)cc1)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813211578 MQMLFLLPKKQBCA-HZMBPMFUSA-N 429.261 5.220 30 20 IKED C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813212215 ZOQHAOKTDBLTID-BXKDBHETSA-N 447.638 5.160 30 20 IKED O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CCCSC1=Nc1ccccc1 821735862 JDAFUVMCAVVDHU-UHFFFAOYSA-N 425.941 5.581 30 20 IKED CC(=O)[C@@H](OC(=O)[C@@H](C)Sc1cc(C)c(C#N)c2nc3ccccc3n12)c1ccccc1 824076498 SQTHUMIBVYKRBW-UZUQRXQVSA-N 443.528 5.022 30 20 IKED N#Cc1nc(NC(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)[nH]c1C#N 914535421 JUSQPJDPQWWTLR-UHFFFAOYSA-N 433.880 5.097 30 20 IKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1csc(-c2cccc(Cl)c2)n1 916937091 BACRQHVBXJDKFC-ZDUSSCGKSA-N 434.279 5.217 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(Cc3ccccc3)nc2C)cc1 916947962 CPCKCPTXDHEBSF-HRAATJIYSA-N 431.561 5.517 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1ccc(Cl)cc1)c1nc(-c2c(F)cccc2F)cs1 920804098 LGQBOMBVMHCMCL-CQSZACIVSA-N 430.863 5.581 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(O)c2ccc(Cl)cc2n1 1640926524 KPEDYWVKMPTROP-GFCCVEGCSA-N 444.969 5.114 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4c(-c5ccccc5)noc4C)CCC3)cc2)C1 1785806901 PGNWNZUULNVYJL-UHFFFAOYSA-N 441.531 5.364 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)Cc3cccnc3Cl)CCC2)cc1 1786102685 UTUKHZLNZOTVLA-UHFFFAOYSA-N 437.971 5.180 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccoc4Cl)CCC3)cc2)cc1 1790707917 VFKBVQNKIIPQGT-UHFFFAOYSA-N 433.895 5.061 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)CCC1 1791187551 LMTWTACRSAMERI-UHFFFAOYSA-N 442.481 5.186 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)[C@H]1c1cccnc1 1810504421 ZOQLDCAZVULBGR-KOVSNXQUSA-N 439.644 5.296 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc(-c3ccccc3)s2)[nH]n1 1821922540 MLQAWIDKPPSTIM-QFBILLFUSA-N 449.580 5.051 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)c(C)cc2F)n[nH]1 1823202554 BRPFGNQWQZFSGN-KKSFZXQISA-N 442.510 5.071 30 20 IKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cc3cccc(F)c3)cc2)n[nH]1 1823322077 VJJBUNGLUJIALA-QHCPKHFHSA-N 446.526 5.022 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(C)C)no2)CC1 1823753815 JDOZRFHSRKMXHG-NRFANRHFSA-N 429.605 5.024 30 20 IKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 1832826513 RMWOCRYHOYJPAX-FQEVSTJZSA-N 443.012 5.201 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)Oc1ccc2ccccc2c1 1847264250 GPUSQQRZTKOLEG-ZEQRLZLVSA-N 448.607 5.191 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2ccccc2OC)cc1 10118213 FVJLSDDKUHCQHV-UHFFFAOYSA-O 431.990 5.311 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2cccc(OC)c2)cc1 11261464 JONBCHOVYYLQCF-UHFFFAOYSA-O 447.624 6.110 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc3ccccc23)nnc1-c1ccccc1OC 21141519 FCVONNHIBULOKM-QGZVFWFLSA-N 444.560 5.412 30 20 IKED Cc1c(-c2ccccc2)sc(NC(=O)c2cccc(C#N)c2)c1C(=O)N1CCCCC1 23271947 FWKQNQNYOAPSMN-UHFFFAOYSA-N 429.545 5.474 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c1-c1ccccc1 428187214 SLMHVFPICACURX-UHFFFAOYSA-N 427.439 5.042 30 20 IKED CCN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H](C)Cc1ccsc1 429131875 CYAZBWZDYKTZJA-LJQANCHMSA-N 433.577 5.878 30 20 IKED N#Cc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)ccc1F 430705395 ABYNIVKSHAXLSN-UHFFFAOYSA-N 445.347 5.360 30 20 IKED C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1noc(-c2ccc(Cl)cc2)n1 431185319 XWGOKOWNDFMSPG-KGLIPLIRSA-N 441.944 5.524 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H](c2cccnc2)C(C)C)cc1 435137585 MMNJTNHGZSRMMH-QFIPXVFZSA-N 430.508 5.315 30 20 IKED N#Cc1ccc([C@H](Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)C(N)=O)cc1 436001318 NUETWFUPEARYQJ-FQEVSTJZSA-N 434.908 5.252 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](Cc1ccccc1F)C(C)=O 436134803 PUWGSGIQOHETII-HXUWFJFHSA-N 445.947 5.128 30 20 IKED Cc1csc(-c2cccc(NC(=O)C(=O)Nc3ccccc3S[C@H](C)CC#N)c2)n1 439093914 ADSKPPKMBWIEDE-OAHLLOKOSA-N 436.562 5.090 30 20 IKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)C(=O)Nc1ccc(C#N)cc1Cl 439315575 JPPMERPOMYVETB-INIZCTEOSA-N 433.895 5.237 30 20 IKED CCCc1c(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cnn1-c1cccc(C#N)c1 439663027 LEVOASAYKDOPKC-UHFFFAOYSA-N 426.524 5.011 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCC2CCC(C#N)CC2)c(OC)c1 441143208 DXFCDYYJZZRCHD-UHFFFAOYSA-N 445.563 5.231 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C1CCCCC1 442099075 RMIIVWMDYPOSCE-OAHLLOKOSA-N 425.916 5.027 30 20 IKED O=C(Cc1c[nH]c2cc(F)ccc12)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444430290 FFNXPGVVOLKGLL-KRWDZBQOSA-N 432.339 5.678 30 20 IKED C=CCC[C@H](NC(=O)Nc1cc([C@H]2CCCOC2)nn1C)c1ccc(C(F)(F)F)cc1 448083029 YCTDCIZNGMHACP-WMZOPIPTSA-N 436.478 5.162 30 20 IKED Cc1cccc(Br)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 463710654 XPWREVOSUYLQTM-UHFFFAOYSA-N 439.284 5.600 30 20 IKED C=CCOc1ccc(CN(C(=O)C2(c3cncc(Br)c3)CC2)C(C)(C)C)cc1 466340514 VOGGOHQSNVZLHD-UHFFFAOYSA-N 443.385 5.268 30 20 IKED N#CCCCOc1cccnc1NC(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 466592941 KRPGRSIUQROLHM-LJQANCHMSA-N 426.929 5.390 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 469216368 YQLJMTYEHIMFEW-UHFFFAOYSA-N 435.417 5.144 30 20 IKED Cn1c(CNc2cccc(OCc3cccc(C#N)c3)c2)nnc1-c1ccc(Cl)cc1 471986257 QEWZEJWEDADALK-UHFFFAOYSA-N 429.911 5.198 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 473800704 SEORMNYSAHWWPB-UHFFFAOYSA-N 441.413 5.235 30 20 IKED O=C(NCCC(F)(F)F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 477082660 BJBQVAAFHQDJMU-LNRGQDRPSA-N 425.335 5.177 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)cc1 479534641 FNNXPXWHHPHRGT-UHFFFAOYSA-N 428.517 5.246 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@H](C)c2ccc(SCC)cc2)nnc1-c1ccco1 481442475 XIXFFRHVFYPMNA-MRXNPFEDSA-N 442.610 5.196 30 20 IKED CN(Cc1nc2ccccc2s1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481656839 LJGMUUOSDAREQU-UHFFFAOYSA-N 446.507 5.550 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C2CC2)cc1 481685092 LTOPSEHOMYAYMQ-UHFFFAOYSA-N 440.478 5.345 30 20 IKED Cc1sc(NC(=O)CSc2ccc(C#N)cc2)nc1-c1ccc(OC(F)F)cc1 481998565 MTGDMVYNAHHEDF-UHFFFAOYSA-N 431.489 5.322 30 20 IKED Cc1n[nH]cc1NC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482337364 VELOIOBDCHFHEC-NSHDSACASA-N 434.262 5.181 30 20 IKED C[C@@H](c1cc(F)ccc1F)N(C)C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482457138 SDDSOGXOWXQEQA-MGPLVRAMSA-N 438.343 5.572 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1nc(-c2cc3ccccc3o2)cs1 483354887 JTJARRGCXQIUID-UHFFFAOYSA-N 448.504 5.362 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccc(F)cc1Br 484154701 DCMJYWLKBWIVNZ-CYBMUJFWSA-N 436.350 5.504 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(c2c(F)cccc2F)CC1 485889473 OTCGXFLFXAQHPK-INIZCTEOSA-N 429.536 5.177 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(F)ccc2F)nnc1-c1cccc(Cl)c1 489641102 CQHKRBXKNFDAPZ-LBPRGKRZSA-N 434.899 5.182 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)[C@@H]1OCCc2sccc21 494965705 ZBASJCUJNISKKR-MWTRTKDXSA-N 433.533 5.545 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1cc(C#N)cc(N(C)C)c1 500351596 DVTPSPKDSJDRQE-UHFFFAOYSA-N 432.911 5.091 30 20 IKED CC(C)C(=O)Nc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 501451821 PITLTOPFWOKCDB-UHFFFAOYSA-N 427.504 5.178 30 20 IKED C=CCN(Cc1cccs1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 503072547 KVKPUOWNSIBFSC-UHFFFAOYSA-N 446.981 5.031 30 20 IKED CCCN(CCC)C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1 503571757 KVZKGQYXCLWNBY-GOSISDBHSA-N 439.968 5.702 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3cc(Cl)ccc3OC[C@H]3CCCO3)CC2)cc1 503630175 RUVAJEYIRGDUNK-OAQYLSRUSA-N 437.927 5.091 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 504954846 BUKOKRNGKAHUGL-XMMPIXPASA-N 432.955 5.511 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)Nc3ncc(-c4ccccc4)s3)n2)cc1 505449277 MPYASGFFRKDYKL-QGZVFWFLSA-N 432.530 5.188 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3-c3nc(C(C)C)no3)n2)cc1 505711041 RCNPIXNTNOENKB-IBGZPJMESA-N 444.516 5.482 30 20 IKED N#Cc1ccc(CN(C(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)C2CC2)cc1 508284746 IOIABIBBURDSOK-UHFFFAOYSA-N 449.510 5.290 30 20 IKED Cn1ccnc1[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccccc1F 510518495 QAZCHSUYGJXGBY-HSZRJFAPSA-N 441.466 5.134 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC(=O)Nc1ccc(Cl)cc1 510668102 QVLXWLAZOGXIRH-UHFFFAOYSA-N 434.883 5.073 30 20 IKED CCC(CC)N(C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)[C@@H]1CCCc2cccnc21 511300936 LLLJLIKWNSGDBG-XMMPIXPASA-N 427.552 5.156 30 20 IKED CCCc1c(NC(=O)c2cc(CC)nc3onc(C(C)C)c23)cnn1-c1cccc(C#N)c1 512707724 JLLAUXSOCNIOFI-UHFFFAOYSA-N 442.523 5.171 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1nc2ccccc2s1 513677544 YDKSBOXCPPGIPW-CYBMUJFWSA-N 446.841 5.644 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)c1 513877767 DZORTYFUMORECJ-HXUWFJFHSA-N 426.944 5.078 30 20 IKED CCC[C@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1 513983845 VHNBVRVGYQTEDA-QHCPKHFHSA-N 447.583 5.017 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 517461179 BQYDCWRVAGUTRG-VGSWGCGISA-N 447.526 5.331 30 20 IKED CCn1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nnc1-c1cccs1 518129946 HFJVWQSTEVEGFX-AWEZNQCLSA-N 443.623 5.152 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)cc2)cc1 519978032 UFWFYQCLRUEVDW-SANMLTNESA-N 447.494 5.460 30 20 IKED CCCc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)C(C)C)cc1 520846946 QGQOMFKISGUBGE-MBSDFSHPSA-N 437.609 5.343 30 20 IKED Cc1cc(NC(=O)c2oc3ccccc3c2CSCc2ccccc2)n(CCC#N)n1 523661762 CRWGAMLWARIULA-UHFFFAOYSA-N 430.533 5.537 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1C 533973765 ZNIXDSLRCHWFGE-UHFFFAOYSA-N 434.450 5.147 30 20 IKED Cc1cc(Br)c(NCc2nnc(-c3cccc(C#N)c3)o2)c(Br)c1 538540185 LXWWTKBDCHLLLQ-UHFFFAOYSA-N 448.118 5.054 30 20 IKED CC(C)(C)c1cc(NC(=O)c2cc(F)c(F)cc2I)c(C#N)s1 539174704 HWTRNQYQGKFNES-UHFFFAOYSA-N 446.260 5.052 30 20 IKED C=CCC[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1)c1ccccc1 550874984 NDCQTMRWFAYXSS-VGSWGCGISA-N 433.577 5.119 30 20 IKED Cc1ccc([C@H](NC(=O)CNc2ccccc2SC[C@H](C)C#N)c2cccs2)cc1 553010676 VAWZAMIGONHKPM-KOSHJBKYSA-N 435.618 5.626 30 20 IKED COc1cc(CN[C@H](c2cccs2)C(C)(C)CO)ccc1OCc1cccc(C#N)c1 568919335 ZKYAAXHMBHZUTI-XMMPIXPASA-N 436.577 5.057 30 20 IKED Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)Nc2nc(C)c(SCC#N)s2)cs1 574798458 LNUYCHWLTLOJSW-UHFFFAOYSA-N 446.598 5.555 30 20 IKED Cc1ccsc1[C@@H](Cc1ccccc1)NCC(=O)Nc1ccccc1SC[C@H](C)C#N 577025615 HLFPWGRMMROHML-XMSQKQJNSA-N 449.645 5.820 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 581030124 LHAXZBWXMHZUFG-UHFFFAOYSA-N 425.577 5.367 30 20 IKED COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(F)c(C#N)c2Cl)c(OC)c1 602759492 LADFNHCTNIYMKD-JOCHJYFZSA-N 437.858 5.139 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 604084668 ASISUGRNHCKUIC-UHFFFAOYSA-N 441.531 5.560 30 20 IKED C=C(C)COc1cccc(NC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)c1 604942742 YQKQAVADDIGVSC-UHFFFAOYSA-N 438.574 5.686 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F 608945648 UZMWCWOYSRCGLT-FQEVSTJZSA-N 446.469 5.498 30 20 IKED Cc1cc(SC2CCCCC2)ccc1NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 608995818 JAYBZGLUUKYTNQ-UHFFFAOYSA-N 449.624 5.477 30 20 IKED N#C[C@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1ccc(OCc2ccccc2)cc1 609028672 MWDSMKKDEJJKEN-DEOSSOPVSA-N 439.540 5.313 30 20 IKED COc1ccc(CCC(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc1Br 609286909 NDWJBEYECSYIOF-HNNXBMFYSA-N 442.140 5.078 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)cc1 609298021 VIGFXDXEHRKZCC-UHFFFAOYSA-N 449.869 5.522 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)cc2)c1 609434207 DSCKIGRGRSWTAS-HXUWFJFHSA-N 440.503 5.233 30 20 IKED C[C@@H](c1ccccc1Cl)N1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 609434807 RZGCJWJAGFQDQF-MSOLQXFVSA-N 443.016 5.645 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1 609435284 CNPIYWHPEVYMOM-SFHVURJKSA-N 433.581 5.567 30 20 IKED Cc1cc(Oc2ccccc2)ccc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 609452118 PSAVIJLYKGNPNV-UHFFFAOYSA-N 440.547 5.399 30 20 IKED CCS(=O)(=O)c1ccccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 609723275 ZTNYOTCJYIISCR-UHFFFAOYSA-N 440.908 5.050 30 20 IKED CN(C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccc(Br)cn1 609723663 RQOXAGDAVZABPH-UHFFFAOYSA-N 442.700 5.438 30 20 IKED CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 609724324 KCEGMYVBMZGCQY-UHFFFAOYSA-N 440.286 5.868 30 20 IKED CC[C@H](C(=O)OC)N(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccccc1 609788370 VRYXFMSJYKBGFE-XMMPIXPASA-N 428.488 5.143 30 20 IKED Cc1ccc(C[C@H](C)N(C)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 610016679 LNQHVPPBCCCKIJ-INIZCTEOSA-N 437.594 5.105 30 20 IKED CCN(C[C@H]1CCOC1)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 610331743 VYJUILQEBJUUID-OAHLLOKOSA-N 433.430 5.260 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnn1-c1ccccc1F 613405222 VMDBGCDRAKTBCP-CYBMUJFWSA-N 444.413 5.438 30 20 IKED N#Cc1ccc(NCc2nc(-c3ccc(-c4csc(-c5ccncc5)n4)cc3)no2)cc1 619623655 OAIVTAJMSRAIPF-UHFFFAOYSA-N 436.500 5.406 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(Cl)c(F)cc1Cl 645071289 OVQOPTVGSSYMRS-RNFRBKRXSA-N 426.159 5.772 30 20 IKED C=CCCC[C@@H](C)NC(=O)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 678909049 CRCGACKNWGQFQP-ZJSXRUAMSA-N 440.632 5.630 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nn1-c1ccc(F)cc1 679090705 GWSLBDOMAQRHMH-HNNXBMFYSA-N 444.413 5.438 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3nc(-c4ccsc4)oc3C)n2)cc1 727049884 JTHRBRHPCSROSU-QGZVFWFLSA-N 435.530 5.263 30 20 IKED COc1ccc(OC)c(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 727979325 ZPEBOPBPDZHUAY-UHFFFAOYSA-N 433.533 5.272 30 20 IKED Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccc(COc4ccc(C#N)cc4)o3)o2)cc1 728109711 CHTAXSJIUWKJDF-MRXNPFEDSA-N 429.432 5.007 30 20 IKED N#C[C@@H](C(=O)Cc1cccc(OCc2ccccc2Cl)c1)c1nc2ccccc2s1 730071745 QUSPAFCUPCWKOP-IBGZPJMESA-N 432.932 5.948 30 20 IKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1 730490516 YNMCVKGNHXQQPJ-KRWDZBQOSA-N 447.532 5.148 30 20 IKED C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 730691777 MJUIEOKOYVYLKU-SCLBCKFNSA-N 440.355 6.044 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)C1=Cc2ccccc2CC1 730997551 ZGCLFJQQJARVNY-UHFFFAOYSA-N 438.496 5.440 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=S)N[C@H](CC)c1cccs1 734378001 PDZDBSXBKDGKSZ-MRXNPFEDSA-N 427.408 5.664 30 20 IKED C#Cc1cccc(N(C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)C(C)C)c1 735248354 APNMSMYUBSKLAN-UHFFFAOYSA-N 434.586 5.515 30 20 IKED N#C[C@@H]1C(CN2CCCCC[C@H]2c2ccc(Cl)cc2)=CC(=O)n2c1nc1ccccc12 735311427 JKZXODDEHLZEHW-IRLDBZIGSA-N 430.939 5.494 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cccc(Nc2ccccc2)c1 735718899 XCABQWQBVXFHLG-SFHVURJKSA-N 445.544 5.477 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)/C=C/c2ccc3ccc(Cl)cc3n2)c1C 739669530 XLUBZENRBNPTMJ-FMIVXFBMSA-N 427.895 5.214 30 20 IKED CCOc1cccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 742992934 CDYRRNFUPBXTKC-UHFFFAOYSA-N 437.952 5.998 30 20 IKED Sc1nnc([C@@H]2CCCCO2)n1N=Cc1ccc(-c2ccccc2Br)s1 743452558 ZVUYOZWLPFPTFR-HNNXBMFYSA-N 449.399 5.182 30 20 IKED C=CCN(C(=O)CSC(=S)N1CCC(C)CC1)c1nc(-c2ccccc2)cs1 743973572 KUQHNYHCIUBTIB-UHFFFAOYSA-N 431.652 5.079 30 20 IKED C[C@H](OC(=O)[C@H](Sc1ccccc1F)c1ccccc1)C(=O)Nc1ccccc1C#N 744973694 FBHOLGKIDOJDMV-KSFYIVLOSA-N 434.492 5.101 30 20 IKED N#CC(CCOC(=O)c1ccc(OC2CCOCC2)cc1)(c1ccccc1)c1ccccc1 745249049 HSYVJGPOWGEABN-UHFFFAOYSA-N 441.527 5.301 30 20 IKED COc1cc(/C=C2/CN(C)C/C(=C/c3ccc(SC)c(OC)c3)C2=O)ccc1SC 746341003 ZHRQYDFSGUDBQV-BJPQZVBLSA-N 441.618 5.129 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccn(-c2ccccc2Cl)n1 747639253 GGJRYOUJINNDSK-UHFFFAOYSA-N 429.867 5.145 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(-n2cncn2)c(Cl)c1 749145469 YFKXKFRMKHLPEJ-UHFFFAOYSA-N 431.908 5.196 30 20 IKED Cc1nnc(Sc2ccc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)c(C)c2)s1 751198181 BKHOMZVRPKDHBE-UHFFFAOYSA-N 435.534 5.122 30 20 IKED CC(C)c1nn(Cc2ccccc2)c(Cl)c1/C=C1/S/C(=N/C2CCCC2)NC1=O 754686633 UNVHFPNXYAMQAX-LDADJPATSA-N 428.989 5.211 30 20 IKED Cc1ccc(OC(F)F)c(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)c1 756824699 XQJTWPGXOBITBP-UHFFFAOYSA-N 425.460 5.225 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1Br 760258548 JVTMQZLIWUDURX-CQSZACIVSA-N 441.354 5.281 30 20 IKED COc1ccc(CNc2ccc(OCc3cccc(C#N)c3)cc2)c(Br)c1O 761213410 IHLIAMMXWPXPIL-UHFFFAOYSA-N 439.309 5.226 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)C[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 763350223 ZOGWQASUEAFXFL-VQTJNVASSA-N 443.588 5.005 30 20 IKED C=CCn1c(-c2cccc(Cl)c2)nn(CNC2(c3nccs3)CCCC2)c1=S 764127208 RPCSTOQCMUTELI-UHFFFAOYSA-N 432.018 5.394 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2COC2CCOCC2)cc1 767871362 ZGYUYHHBIAFNSN-SANMLTNESA-N 426.516 5.290 30 20 IKED Cc1ccc(Cn2nc(C)c(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)c2Cl)cc1 768138423 UUQHQBMDWJXQLX-QGZVFWFLSA-N 447.753 5.503 30 20 IKED N#C[C@H](C(=O)[C@H](c1ccccc1)N1CCc2ccccc21)c1nc2ccccc2n1C(F)F 772642389 VFPYXQAZHVKJCV-XXBNENTESA-N 442.469 5.412 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H]2CCc3c(Cl)cc(Br)cc32)ccc1OC 772986730 QLHVMWCCBJAEIY-KXBFYZLASA-N 449.776 5.569 30 20 IKED C=CCCC(=O)Nc1ccc(COC(=O)c2ccccc2N(C)C(=O)c2cccs2)cc1 774577189 YMYFKIGUJCKMHA-UHFFFAOYSA-N 448.544 5.286 30 20 IKED N#Cc1cc(F)c(C(=O)NCCCCCCc2nc(-c3ccc(Cl)cc3)no2)c(F)c1 778160320 DXPSCMVTWJTQAE-UHFFFAOYSA-N 444.869 5.073 30 20 IKED N#CCOc1cccc(NCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1 779588748 QFVRNSVQUZQXNO-UHFFFAOYSA-N 426.303 5.760 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1c(Cl)cccc1Oc1ccc(F)c(Cl)c1 782570408 MCKQQKCDNXOXLR-ZDUSSCGKSA-N 445.277 6.468 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(Cl)cc1Cl 787052599 NIHJNXFYVAMJIK-JUFZMCDQSA-N 435.273 5.248 30 20 IKED N#Cc1cccc(COC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)c1F 787832104 HVYRXPRFJVCYBE-UHFFFAOYSA-N 434.254 5.120 30 20 IKED COc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(OCCOC(C)C)c1 789620105 DKRSJPHETJPKDC-RUZDIDTESA-N 444.531 5.407 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2cc(Br)c(Cl)s2)S1 790102018 WVLOBUIYFHWLJC-GHXNOFRVSA-N 427.776 5.672 30 20 IKED O=C(/C=C/c1cc(Br)c(Cl)s1)c1ccc(N2CCC(O)CC2)cc1 790219763 MMFYNWNRMNRMPT-AATRIKPKSA-N 426.763 5.021 30 20 IKED N#C[C@@H](C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc2ccccc2n1 792111104 QUIKVSPDJSJASE-IYKSTZQJSA-N 435.327 5.557 30 20 IKED COc1ccc([C@@H](C)C(C)=NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc1OC 794512222 QVXHUCANHJBFBN-ZDUSSCGKSA-N 445.445 5.166 30 20 IKED CN(C(=O)COC(=O)C[C@H](CC#N)c1ccccc1)[C@H](c1ccccc1)c1ccc(F)cc1 795982991 OKIRDPQWJWLTME-WNCULLNHSA-N 444.506 5.004 30 20 IKED N#C[C@@H](C(=O)C1(Cc2ccccc2Br)CC1)c1nc2cc(F)ccc2s1 796861671 SJECYXCGCKYJDE-AWEZNQCLSA-N 429.314 5.397 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 799398213 FUPHMZQXBGAAON-MSOLQXFVSA-N 446.617 5.097 30 20 IKED COc1cc(COC(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)ccc1OCc1cccc(C#N)c1 803737936 QUEQLTCVUUJKKY-RBUKOAKNSA-N 433.426 5.168 30 20 IKED C#C[C@@H](NC(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccc(Cl)cc1 810153364 BEWKEEQUQNNZBE-QGZVFWFLSA-N 435.833 5.203 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)o3)o2)cc1 814492629 DSGPASHFXJWTPX-UHFFFAOYSA-N 439.349 5.244 30 20 IKED C=CCCOCCCCc1nc(-c2cc(Br)cc(Br)c2)no1 904913917 KONSFHDHDJWECE-UHFFFAOYSA-N 430.140 5.177 30 20 IKED O=C(Nc1ccc(SC(F)F)cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 915300191 FXNMNYSDYOHECE-RKDXNWHRSA-N 436.368 6.032 30 20 IKED Fc1ccc(-c2ccc(C=Nn3c(S)nnc3-c3ccccc3Br)o2)cc1 916349511 NOKHLJPMAQZZEC-UHFFFAOYSA-N 443.301 5.278 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(COc3ccccc3C#N)o2)cc1 916916039 UGAWSWVCTGCCSE-QFIPXVFZSA-N 441.487 5.034 30 20 IKED Cc1sc(=O)n(CC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c1-c1ccc(F)cc1 917026505 FWHYAXNILJFKPT-GOSISDBHSA-N 449.532 5.024 30 20 IKED C=CCOc1ccccc1CN(C(=O)c1nnc(O)c2ccccc12)c1ccc(C)c(C)c1 917366808 PMUQIKUIDFBWKL-UHFFFAOYSA-N 439.515 5.364 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CCc3[nH]c4ccc(F)cc4c3C2=O)cs1 917560724 XNZAGBFBPWIVEU-GXDHUFHOSA-N 449.482 5.800 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)n1 920327070 CPLBYJXMERZPEQ-HNNXBMFYSA-N 436.455 5.027 30 20 IKED C[C@@H](OC(=O)c1csc(-c2ccc(Cl)s2)n1)C(=O)N(CCC#N)c1ccccc1 920676415 UPILQCJTDCUPHG-CYBMUJFWSA-N 445.953 5.017 30 20 IKED C[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccc2nc(O)oc2c1 1534054477 NRVROXQUZYMCMY-ZDUSSCGKSA-N 433.851 5.342 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3c(C)noc3-c3ccccc3)cc2)CCC1 1788671056 GNNFYYGNCXPAMT-UHFFFAOYSA-N 441.531 5.201 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnnc4ccccc34)CCC2)cc1 1789453608 BTRDALRQKXBODV-OAQYLSRUSA-N 440.547 5.146 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CS[C@@H]3CCCCO3)cc2)CCC1 1789550195 OPBJJBZKSLPOOY-JTHBVZDNSA-N 442.625 5.149 30 20 IKED CC[C@H](C(=O)NC1(c2ccc(NC(=O)C/N=C/c3ccco3)cc2)CCC1)c1ccccc1 1789577172 DRWVYADMEPZTOZ-USMPFQSLSA-N 443.547 5.026 30 20 IKED Cc1ccoc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792123459 CJUSRJNCEQXNPJ-SFHVURJKSA-N 427.504 5.277 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)c(F)c(Cl)c1)C2 1798339783 FLXUCKNSBSCHKJ-YYIAUSFCSA-N 439.358 5.153 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CC2CCC(C)(C)CC2)c1 1800233720 KNISEKAQCHQAJV-LZQXYRQZSA-N 435.612 5.172 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCSCc1ccc(C)cc1 1802129521 RHYJYQONYOABDK-NUNAXRQHSA-N 442.669 5.249 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)cc(F)c2F)n[nH]1 1821331471 FKQPKFWIUXTMDX-OXQOHEQNSA-N 442.510 5.071 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(OC)c2)CC1 1824142949 AVVJVTBNPGDFJT-VWLOTQADSA-N 438.612 5.005 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)noc2CCC)CC1 1827842507 TUIQAZSFQKPWTH-NRFANRHFSA-N 443.632 5.161 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3cnccc23)CC1 1828829200 ZDMVYVYSCQNHSH-JYFHCDHNSA-N 445.607 5.237 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC(F)(F)F)CC1 1829068129 GMLQMLVJBGZTTC-LJQANCHMSA-N 430.555 5.331 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C(C)=C/c2cccnc2)CC1 1829071732 YJXPAIUYIFGGBC-FGNRIPBJSA-N 437.628 5.097 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(F)c2)CC1 1830507159 LKDCQFUSXHHYKJ-ZEQRLZLVSA-N 426.576 5.136 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 1831861799 YFONNVUUAVLBAU-ISKFKSNPSA-N 431.020 5.275 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)Sc2cccs2)CC1 1832030567 QOQVLGZIATUCFE-PZJWPPBQSA-N 446.682 5.042 30 20 IKED CCCCc1ccc(-c2ccc(C(=O)N3CCCC34CN(C(=O)CCC#N)C4)c(C)c2)cc1 1846905337 ONFSVYWQTTUSAR-UHFFFAOYSA-N 443.591 5.125 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2cc(C)cc(C)c2)cc1 10172577 LPSBRGRIYMFPNF-UHFFFAOYSA-O 434.629 5.550 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(Cl)cc2)cc1 10832372 QSNDQURSHSREBA-UHFFFAOYSA-O 441.020 5.586 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(C)c(C)c2)cc1 11162329 LFWMRZVVKQZOCO-UHFFFAOYSA-O 425.524 5.482 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(OCC)cc2)=C(/S)Nc2ccc(C)cc2C)cc1 22729533 VDKHBHDJNHXBHY-UHFFFAOYSA-O 447.624 5.993 30 20 IKED C=CCn1c(SCc2cc(=O)n3ccc(C)cc3n2)nnc1-c1ccc(C(C)(C)C)cc1 23554612 SDGXOUNCOMLCBF-UHFFFAOYSA-N 445.592 5.037 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)n1 26144768 PPXNCFBEJRCMMC-STQMWFEESA-N 433.455 5.385 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 58794822 GFOJXUGDZFWJKT-QFIPXVFZSA-N 427.573 5.104 30 20 IKED CSc1ccc([N+](=O)[O-])c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 64715095 SSUIBKIDUJVURP-GFCCVEGCSA-N 431.445 5.208 30 20 IKED COc1ccc(C#N)cc1NC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C 109554165 HRYCDFGKXOJTEZ-UHFFFAOYSA-N 445.548 5.490 30 20 IKED CC(C)n1c(CCNC(=O)c2cccc(OCc3ccccc3C#N)c2)nc2ccccc21 303730938 VEVJIHTYDNZYGW-UHFFFAOYSA-N 438.531 5.040 30 20 IKED CO[C@H](C)c1nc(C)c(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)s1 429340341 UVYPHNVFAZIFDL-PWNHMFLQSA-N 441.622 5.573 30 20 IKED Cc1cccc(Oc2cc(CNC(=O)Nc3ccccc3SC[C@@H](C)C#N)ccn2)c1C 438059743 FVTRUOSSVFCVIM-KRWDZBQOSA-N 446.576 6.064 30 20 IKED Cc1ccc([C@@H](Cn2ccnc2)NC(=O)Nc2ccccc2SC[C@H](C)C#N)c(C)c1 442192186 ISXNWRAQYAOXCY-XMSQKQJNSA-N 433.581 5.315 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(-c2nc(CC(=O)Nc3ccccc3F)no2)c1 445294861 BXXPPFROCLYTIU-UHFFFAOYSA-N 448.841 5.374 30 20 IKED C[C@@H](NC(=O)Cc1noc(-c2cccc(SCC#N)c2)n1)c1ccc(Cl)cc1Cl 445757691 HCEDAZGXQURTTB-GFCCVEGCSA-N 447.347 5.079 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N2C(=O)N[C@@H](c3ccc4ccccc4c3)C2=O)cc1 445954128 YCFXQSHFMKTSAE-VWLOTQADSA-N 449.466 5.310 30 20 IKED N#Cc1cnn(-c2ccc(C(=O)Nc3ccc(Cl)cc3-c3cccc(Cl)c3)cc2)c1N 447628098 CPRMQHANBJZVLQ-UHFFFAOYSA-N 448.313 5.552 30 20 IKED COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 466045155 DBWJCELLSCIHIY-AHKZPQOWSA-N 441.531 5.192 30 20 IKED N#CCCCOc1cccnc1NC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 466621210 YTSOECODURDKBA-OAQYLSRUSA-N 439.519 5.199 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C 468573185 CHGLFUJYSRNKCP-JLTOFOAXSA-N 445.535 5.201 30 20 IKED Cn1cc(Nc2cccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)c2)cn1 468909743 ISLPAXACMBBPBS-UHFFFAOYSA-N 439.544 5.580 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3C[C@@H]3c3ccccc3C(F)(F)F)ccc21 469968988 IGDQXJKZUDEZPQ-MOPGFXCFSA-N 441.453 5.031 30 20 IKED COc1ccccc1[C@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)OC(C)C 473673771 FZOWJEBJTQMIKO-UTKZUKDTSA-N 427.570 5.235 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(C)nc2c1cnn2Cc1cccs1 476124670 WHARWMBTURBYDV-UHFFFAOYSA-N 430.577 5.954 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 477266571 OWAKTRQBEUYCDC-IHWFROFDSA-N 430.017 5.295 30 20 IKED COc1cc(C#N)cc(Br)c1OCC(=O)Nc1c(C(C)C)cccc1C(C)C 479927281 IMMAHIHNNKWEEQ-UHFFFAOYSA-N 445.357 5.594 30 20 IKED C=C(C)[C@H](NC(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C)c1ccc(F)c(F)c1 480617090 WNRSMWOMBDTBRL-QHCPKHFHSA-N 435.474 5.964 30 20 IKED O=C(NC[C@H]1CCCC[C@H]1C(F)(F)F)c1cnn(-c2ccccc2F)c1C(F)(F)F 482226730 OYIYMRKSFINUFF-DGCLKSJQSA-N 437.359 5.129 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)N[C@H](c3ccc(Cl)cc3)C(F)(F)F)CC2)cc1 482335405 SVGGCUNYLJCYJF-LJQANCHMSA-N 437.849 5.068 30 20 IKED C[C@H](NC(=O)CSc1ccc(C#N)cc1)c1ccc(NC(=O)Nc2ccccc2)cc1 484699301 ZYJXVUWXXBOAQK-KRWDZBQOSA-N 430.533 5.172 30 20 IKED C=CCn1c(SCc2nc(-c3cc(F)c(F)c(F)c3)no2)nnc1-c1ccccc1C 486618450 CXIHKUDVVFLSRV-UHFFFAOYSA-N 443.454 5.199 30 20 IKED COc1cc(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc(OC)c1C(C)C 486839142 UNRFXQJWCSEDRC-UHFFFAOYSA-N 436.537 5.390 30 20 IKED N#Cc1cccc(-c2cnc(CNC(=O)c3ccccc3SCc3cccs3)[nH]2)c1 493967605 WDYUWEHUPXXFPJ-UHFFFAOYSA-N 430.558 5.232 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(OCc2cscn2)c(OC)c1 497505729 QPZVYHMCABLAMG-UHFFFAOYSA-N 434.970 5.274 30 20 IKED Cc1ccc(-c2csc3ncnc(SCC(=O)N(C)Cc4ccc(C#N)cc4)c23)cc1 498521770 ALUOKJYNTVLPHV-UHFFFAOYSA-N 444.585 5.289 30 20 IKED CCCCOc1ccc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1OCC 499420891 MADRXBBGXQLTJB-GOSISDBHSA-N 431.330 5.021 30 20 IKED N#C[C@H](NC(=O)CCc1ccc(-c2ccccc2F)o1)c1ccc(Br)cc1 499433246 WBTQXQCCDKZCEH-IBGZPJMESA-N 427.273 5.162 30 20 IKED N#Cc1ccc(SCc2csc(CC(=O)Nc3ccccc3)n2)cc1C(F)(F)F 499519745 QVIYRRFXWQFVLO-UHFFFAOYSA-N 433.480 5.507 30 20 IKED C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccccc2Sc2ccccc2C#N)C1 501229949 RBEYQUSKQZQKER-DENIHFKCSA-N 427.573 5.275 30 20 IKED COc1ccc(CCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1Cl 501452775 QWWFCXZHZAKFNQ-UHFFFAOYSA-N 434.923 5.565 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2F)nnc1-c1ccccc1OC 501579326 JCZFQWOSWXPOSI-CYBMUJFWSA-N 446.935 5.052 30 20 IKED N#C[C@H](NC(=O)c1cccc(OCc2cccs2)c1)c1cccc(Br)c1 502423929 IMODVXPPIIDYNP-IBGZPJMESA-N 427.323 5.084 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H](c2ccccc2)c2ccncc2)cc1 503025076 PJVJZWGSUIBASJ-HHHXNRCGSA-N 448.526 5.638 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3cc(Cl)ccc3N3CCSCC3)CC2)cc1 503467194 UBFBQYHVMYMXCQ-UHFFFAOYSA-N 438.984 5.086 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)c1 503998298 SESCYGMQGPCFIM-UHFFFAOYSA-N 426.394 5.331 30 20 IKED C=C(C)Cn1c(SCc2c(F)ccc(Br)c2F)nnc1-c1ccncc1 507676922 IJPWMSVCCDCVJM-UHFFFAOYSA-N 437.313 5.249 30 20 IKED C=CCn1c(-c2ccccc2C)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 508809943 NRFPMSFSTKEPPX-HNNXBMFYSA-N 433.503 5.299 30 20 IKED C[C@@H](NC(=O)N(C)[C@H]1CCSc2ccc(Br)cc21)c1ccc(C#N)cc1 509228032 SUTMXQHDKWAXMZ-ACJLOTCBSA-N 430.371 5.260 30 20 IKED Cc1sc(NC(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)c(C#N)c1C 512977617 OZBSNBWKJUFOCC-ZDUSSCGKSA-N 431.970 5.805 30 20 IKED CCCCCN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H](C)CCC 516821023 GJEPSXCUOQSBFE-GOSISDBHSA-N 426.561 5.230 30 20 IKED C=CCN(C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C)c1nc2c(s1)CCCC2 517303097 IMMZDFSEUPFZKW-UHFFFAOYSA-N 446.498 5.368 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(Oc2cccnc2)c(F)c1 517471939 MVXPYOHDARXPFL-INIZCTEOSA-N 436.512 5.586 30 20 IKED CCCc1nc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)nn1-c1ccccc1Cl 519424217 WDGANNIAEKMOCE-HNNXBMFYSA-N 439.972 5.377 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1sc(-c2ccc(F)c(F)c2)nc1C 519444766 XEWBYBDNPHHXPT-UHFFFAOYSA-N 430.524 5.393 30 20 IKED CCOc1cccc([C@@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 519870480 HXIHSDADHLOPMG-LJQANCHMSA-N 429.520 5.613 30 20 IKED CCCN(C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[C@@H]1CCc2ccccc21 519913691 LYDOWFWOIFMTMI-RUZDIDTESA-N 438.531 5.742 30 20 IKED COc1ccc(CC[C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 520066636 YKPXJEBWDIOFED-LJQANCHMSA-N 430.573 5.610 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc1 520262784 SIPBHAUJAZJFDT-XMMPIXPASA-N 438.487 5.117 30 20 IKED Cc1ccc(CN(Cc2ccco2)C(=O)c2ccc(COc3ccccc3C#N)o2)s1 520588654 OYYPHLIYJLIKTR-UHFFFAOYSA-N 432.501 5.536 30 20 IKED N#CCc1cccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)c1 521552283 SNUWBAGRUSSQTB-UHFFFAOYSA-N 429.907 5.138 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(OC(F)(F)F)cc1 521731426 WWMWWABZNFIKES-AWEZNQCLSA-N 440.512 5.709 30 20 IKED Cc1cccc([C@@H](C)NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1C 523753527 HCMDTPLAAGBDGS-LJQANCHMSA-N 443.572 5.397 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2ccc(-n3cccn3)cc2)c1 523942108 UTUPQOULPXXUTD-UHFFFAOYSA-N 428.879 5.120 30 20 IKED O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)Nc1ccc(F)cc1C(F)(F)F 524114734 LXWWPGPHCMVDRB-UHFFFAOYSA-N 448.363 6.168 30 20 IKED CC[C@@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C(C)C)cc1 524433107 NARWYSZIJBOTJU-QVKFZJNVSA-N 443.494 5.125 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)cc1C 525393801 XMOHBLRNNSLYJD-UTKZUKDTSA-N 436.918 5.159 30 20 IKED CN(CC1(c2ccc(Br)cc2)CC1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 525504630 PTFVEGJBMPRICX-UHFFFAOYSA-N 426.358 5.446 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cccc1-c1ccccn1 533667138 NNNJEIHAHRCNNE-QGZVFWFLSA-N 431.467 5.949 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCC(Oc3ccccn3)CC2)cc1Cl 534153824 KGHLNDGTGHWBOL-UHFFFAOYSA-N 433.895 5.083 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccccc3CCC(F)(F)F)s2)cc1 534643674 DKRAQILHCIEVTK-UHFFFAOYSA-N 448.495 5.449 30 20 IKED CC(=O)c1ccc2c(c1)CCN(C(=O)c1ccccc1Sc1ccccc1C#N)CC2 535144174 SURVHOWHMCIQLR-UHFFFAOYSA-N 426.541 5.153 30 20 IKED N#CCCn1cc(CN2CCC[C@H](c3nc4ccccc4s3)C2)c(-c2ccccc2)n1 535781653 PYWKUFPMHPIUIS-FQEVSTJZSA-N 427.577 5.453 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CNC(C)(C)c1ccccc1Br 538226015 KGVRIWOQQYJUDN-OAHLLOKOSA-N 446.414 5.164 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccccc1C#Cc1ccccc1 540858965 RIALRRDBZFTURP-MRXNPFEDSA-N 425.454 5.204 30 20 IKED C[C@H](Sc1cccc(Cl)c1C#N)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 542102701 NBFSTDSMBDSLMM-ZDUSSCGKSA-N 441.965 5.645 30 20 IKED CC(C)NC(=O)Nc1cccc(-c2noc(/C=C/c3cn(CCC#N)c4ccccc34)n2)c1 544870890 LZBLMNUCGWUWLV-VAWYXSNFSA-N 440.507 5.305 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 550767991 URRWFVBULCRFSG-UHFFFAOYSA-N 439.559 5.570 30 20 IKED CCc1ccc([C@H](N[C@@H]2CCCc3cc(C#N)ccc32)c2cccc(S(C)(=O)=O)c2)cc1 552956745 OJHNQEJKVDTBAU-SXOMAYOGSA-N 444.600 5.281 30 20 IKED CC(C)(CCC#N)CNC(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 558344917 XHJCYUPHWBCCPQ-UHFFFAOYSA-N 446.473 5.087 30 20 IKED FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1noc([C@@H]2CC[C@H](C(F)(F)F)C2)n1 558386469 MCWUJIMKDDCKME-SFYZADRCSA-N 449.273 5.538 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1nc(C2CCCCC2)no1 558512264 SLJLNMLUIJZWRO-OAHLLOKOSA-N 432.484 5.059 30 20 IKED COc1ccc(Sc2ccc(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)cc2)cc1 571225525 RRPUYXBBUQRPGB-UHFFFAOYSA-N 444.560 5.331 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)c3nc4ccccc4cc3Br)c2C#N)C1 572753562 VBYMJPPAJCBZOI-LLVKDONJSA-N 426.339 5.308 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCCC[C@@H]3c3cc[nH]n3)cc2Cl)c1 573688090 DFIMFQDPHXEHAN-OAQYLSRUSA-N 435.915 5.273 30 20 IKED C[C@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1ccc(OCc2cccnc2)cc1 576093161 BSMZMCWTLNUYNW-NBGIEHNGSA-N 428.536 5.456 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc2nccnc2c1Br 577419629 JCMWSJKSPAPOAZ-UHFFFAOYSA-N 445.276 5.309 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 578473411 RTSKKKVPCBXIJT-UHFFFAOYSA-N 448.420 5.259 30 20 IKED N#Cc1ccc(C[C@@H](C#N)c2nc(-c3cccc4c(Br)cccc34)no2)cc1 579760571 MZBCPAJEBFQMDQ-INIZCTEOSA-N 429.277 5.374 30 20 IKED N#Cc1ccc(NC(=O)C(=O)Nc2cccc(Sc3ccc(Cl)cc3)c2)cc1F 589415821 YTCLUCLHQIYZKG-UHFFFAOYSA-N 425.872 5.079 30 20 IKED Cc1c(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)sc2ccc(C#N)cc12 589981159 RTARNFHOZYCGPS-ITGUQSILSA-N 434.405 5.721 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cccc1[N+](=O)[O-] 603838577 UESVUTFHHOILPA-AWEZNQCLSA-N 432.288 5.824 30 20 IKED CC(C)(C)n1nc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1C1CC1 603962239 OBBMOICOWYOFOU-HXUWFJFHSA-N 432.955 6.077 30 20 IKED CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)NCc1ccc(C#N)cc1 604361594 FJFWFYMTZQYZOR-UHFFFAOYSA-N 427.426 5.569 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)cc1 606942105 ORALBLSGXVZJRM-SFHVURJKSA-N 430.508 5.039 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)c2C#N)C1 609325207 HIVAJMJMIOXIDT-SNVBAGLBSA-N 432.427 5.066 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1cc(C(F)(F)F)ccc1Cl 609370747 UELHPYJOOGIUHF-LBPRGKRZSA-N 428.863 5.771 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)C[C@@H]1CCCO[C@H]1c1ccccc1 609388501 QXLHARCBRGIBDV-QVNIBDNGSA-N 437.609 5.119 30 20 IKED COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 610200630 PVOIHJQDCOYLBG-RSXGOPAZSA-N 428.557 5.319 30 20 IKED C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 611556557 DWSQQYZHIHREJD-PBHICJAKSA-N 430.430 5.005 30 20 IKED CCCc1c(NC(=O)[C@H](C)c2ccccc2C(F)(F)F)cnn1-c1cccc(C#N)c1 615288142 PWSHKLPGAGHLQB-OAHLLOKOSA-N 426.442 5.457 30 20 IKED COc1ccc(Br)c2[nH]c(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc12 642280838 HTUUKBMWNLOTAV-NSHDSACASA-N 426.295 5.039 30 20 IKED O=C(NCCc1cccc(C(F)(F)F)n1)Nc1ccc(C(F)(F)C(F)(F)F)cc1 645003563 JIYUXAHPHBNCEA-UHFFFAOYSA-N 427.295 5.119 30 20 IKED CCCNC(=O)Nc1ccc(CC(=O)OCc2ccc(-c3ccccc3C#N)cc2)cc1 726052178 QAWNOJJZFRLUKE-UHFFFAOYSA-N 427.504 5.043 30 20 IKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(C)cc2)cc1 726570678 IHQSYGMLZQXURB-UHFFFAOYSA-O 434.972 5.693 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(-c3ccccc3)cc2)[n+]2ccccc2)c1 726573827 RQCDYQRCYFRIBN-UHFFFAOYSA-O 433.556 5.946 30 20 IKED Cc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3cccc(OCCCC#N)c3)s2)cc1 726743374 FNCAGRZNUNUZQO-RGEXLXHISA-N 438.940 5.518 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(CC[C@H](O)c3ccccc3)cc2)cc(OC)c1OC 727764091 SAVXQXLQAQXXQP-DEOSSOPVSA-N 431.532 5.351 30 20 IKED COc1ccccc1[C@H](C)CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 728765822 TZOUBYAOYXEUOP-DYVFJYSZSA-N 445.371 6.496 30 20 IKED C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 730276230 IXXJRZXZJJLCTH-IBVKSMDESA-N 447.538 6.139 30 20 IKED Cc1cc(Cl)ccc1O[C@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C)c1ccccc1 730394345 HMCPHCQKYCSSIZ-CYFREDJKSA-N 429.907 5.532 30 20 IKED O=C(C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(C2CCC2)C1=O)Nc1ccccc1 730459487 JVJDKBJHTSGPDH-SFHVURJKSA-N 447.482 5.218 30 20 IKED C[C@@H](OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(=O)c1ccc(F)cc1F 731724184 FXHHROLYCDYLIC-CYBMUJFWSA-N 425.362 5.196 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](O)c1cccc(OC(C)C)c1 735172364 CGKXNNFGUWPFSS-VWLOTQADSA-N 445.519 5.301 30 20 IKED O=C(/C=C\c1cc(C(F)(F)F)ccc1Cl)N1CCC(C(F)(F)F)(C(F)(F)F)C1 735263163 NIGCEZKPQSUPAZ-RJRFIUFISA-N 439.705 5.715 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2csc(-c3ccc(Br)s3)n2)cc1 737819170 PQHXPWZHRUHETK-UHFFFAOYSA-N 432.368 5.503 30 20 IKED COc1ccc(CCC(C)=NOCc2ncc(-c3ccccc3Br)o2)cc1 742357089 OCCRSAPXLDBVKG-UHFFFAOYSA-N 429.314 5.638 30 20 IKED N#CCSc1ccccc1C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 742957032 YLOLMVJFFDFCOK-UHFFFAOYSA-N 433.480 5.375 30 20 IKED O=C1/C(=C/c2ccc(Oc3cnccn3)cc2)CCc2nc(-c3ccc(F)cc3)sc21 743056580 ZQRWKDGKEPPDKF-GHRIWEEISA-N 429.476 5.744 30 20 IKED CCCN(Cc1ccccc1O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 743135556 YZWQDBMHEAHFDG-UHFFFAOYSA-N 431.492 5.509 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1ccc(OCC(C)C)c(Cl)c1 743465477 MSAZHKWUWYXKRN-QGZVFWFLSA-N 429.948 5.131 30 20 IKED C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(-c2cccs2)nn(CN2CCC(C#N)CC2)c1=S 747078798 FCWSNGTXMGEBCE-XGXHKWSGSA-N 427.643 5.333 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(Cl)cc(Br)c1 747205041 OKBPDVBWHOJRQB-GFCCVEGCSA-N 446.515 5.370 30 20 IKED COc1ccc(/C=C(\Cl)c2nc(=O)c3ccc(Cl)cc3[nH]2)cc1OCCCC#N 747361683 WFEWAYHWIGVTIB-YBEGLDIGSA-N 430.291 5.005 30 20 IKED N#CCN(C(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12)c1ccccc1 747652240 AUCGNNYVZBJDBR-UHFFFAOYSA-N 443.304 5.230 30 20 IKED Cc1nn(Cc2ccccc2)c(C)c1/C=C/C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 749004190 AVGLTBIHTRGFCW-WUKNDPDISA-N 448.588 5.161 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1cc(F)c(O)c(F)c1)C(=O)c1ccccc1 749890797 BTXCXCUNOHKYDX-MOSHPQCFSA-N 435.470 5.700 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2cccc(Cl)c2)cc1 750390826 BUFBSNBDSPEZCH-QHCPKHFHSA-N 446.934 6.218 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@H]1c1cnc(-c2cccs2)s1 751558435 VHXRAPRBEJMCTB-KRWDZBQOSA-N 431.995 5.044 30 20 IKED Cc1cc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)ccc1NC(=O)OC(C)(C)C 752376596 SNIVDAUZUXZOGV-UHFFFAOYSA-N 434.521 5.590 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)c1 766683373 BQOLDOPVGMARKA-HXUWFJFHSA-N 444.922 5.290 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC(O)(c3ccccc3)CC2)c1 768592400 VRGYOJNUYCTACW-UHFFFAOYSA-N 432.907 5.128 30 20 IKED N#C[C@@H](C(=O)CC1(CSc2ccccc2)CC1)c1nc(O)c2c3c(sc2n1)CCCC3 770843033 NJZYBWNNLUJTHO-KRWDZBQOSA-N 449.601 5.415 30 20 IKED COc1cc(/C=C2\CCc3ncc(C(F)(F)F)cc3C2=O)ccc1OCC(F)(F)F 777466772 FZAYCYKANKJDNF-WUXMJOGZSA-N 431.332 5.263 30 20 IKED COc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(Cl)c1 780327675 KHUMALZSSNHIIT-SFHVURJKSA-N 449.919 5.183 30 20 IKED COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)Nc2ccccc2O[C@H](C)C#N)CCC3)cc1 780667068 FRQCUZKMYXHBJW-QRWLVFNGSA-N 448.548 5.309 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 780668743 YBRQXIBIJINTKY-BVZFJXPGSA-N 427.504 5.214 30 20 IKED CC(C)CCOc1ccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 784969263 GONDYDKLFSYVLD-RUZDIDTESA-N 441.531 5.344 30 20 IKED N#CCCn1cc(/C=C\C(=O)c2cc3cc(Br)ccc3o2)c(-c2ccncc2)n1 788354133 YNLWCNJJNLCWHC-RQOWECAXSA-N 447.292 5.264 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)C2C[C@@H]3CCC[C@H](C2)C3NC(=O)OC(C)(C)C)n1 797092935 ASEJPFJOUJRXNX-XAZSACEBSA-N 431.602 5.162 30 20 IKED COc1cc(/C=C2\C[C@@H](C(=O)O)c3ccccc3C2=O)ccc1OCc1ccc(F)cc1 806559950 HEIWGRCGELCFNX-YGYUYSJASA-N 432.447 5.252 30 20 IKED Cc1cc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)ccc1NC(=O)OC(C)(C)C 810822762 SJHKJEXOPFYJQR-UHFFFAOYSA-N 444.491 5.653 30 20 IKED N#Cc1ccc(N2CC[C@H](Sc3nn(-c4ccc(Cl)cc4)c(=S)s3)C2=O)cc1 812556230 SEHSNZASNIBKIQ-INIZCTEOSA-N 444.994 5.086 30 20 IKED N#Cc1cccc(COc2ccc(NCc3cc(C#N)ccc3Br)cc2F)c1 864011135 SUCXYDSSCFQJHN-UHFFFAOYSA-N 436.284 5.523 30 20 IKED Cc1oc2c(CN(C)Cc3cccc(C#N)c3)c(O)ccc2c(=O)c1-c1ccccc1Cl 914783446 XOQASAMXTVJAJP-UHFFFAOYSA-N 444.918 5.631 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2cccs2)n1)c1nc(-c2ccc(Cl)cc2)cs1 915101756 KSHSTLYSKMXAAN-HNNXBMFYSA-N 441.990 6.067 30 20 IKED COC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 915102888 KCDAYIBMIVHBRN-NFQTVLRUSA-N 435.549 5.279 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCOc2cccc(Br)c2)cc1 915181080 WXMVHKFCXHALLY-JOCHJYFZSA-N 435.321 5.512 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cccc(OCC(F)(F)F)c1 915944957 WCNMBRRZIRTPRV-UHFFFAOYSA-N 443.450 5.257 30 20 IKED C[C@H](/N=C/c1cc2ccccc2nc1O)c1cccc(NC(=O)Cc2ccccc2F)c1 915982266 VCWFRTJVBGCSIY-SSGLAOATSA-N 427.479 5.441 30 20 IKED Cn1c([C@H](C#N)C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)nc2ccccc21 916843424 GLQBHBWTICQBBI-OAQYLSRUSA-N 436.490 5.670 30 20 IKED CC[C@@H](C)c1ccccc1OCC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916887908 OXXOOUUKCFXLPY-KDOFPFPSSA-N 432.492 5.241 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(C)n(-c2cccc(C)c2)c1C 916898288 AQOQTFLEYKUNFV-DEOSSOPVSA-N 427.548 5.489 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc2c(c1)Cc1ccccc1-2 916900978 VQYGRAZKOBINBI-HXUWFJFHSA-N 430.891 5.189 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCC(=O)c1ccc2ccccc2c1 916902366 FGLSRQIVILAMSG-HSZRJFAPSA-N 426.516 5.275 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc2c(F)cccc2s1 916908327 MBOVMZBPSPNDCX-QGZVFWFLSA-N 430.460 5.794 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3cc(Br)ccc3o2)cc1 916914993 AJEZFCBXTLSDNJ-SFHVURJKSA-N 439.309 5.499 30 20 IKED Cc1cccc(COc2cccc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)c2)c1 916915681 HHWGUELMMITIMR-VWLOTQADSA-N 434.495 5.688 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2nn(-c3ccc(C)cc3)c3c2CCC3)cc1 916949077 LMSONLRPNYRDHV-FDDCHVKYSA-N 440.547 5.144 30 20 IKED CCN(CC)c1ccc2cc(C(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)c(=O)oc2c1 917615077 HJSTYPDNWVKRKS-UXBLZVDNSA-N 426.856 5.097 30 20 IKED C=CCn1c(SCC(=O)N(C)c2ccc(C)c(C)c2)nnc1-c1ccc(Cl)cc1 917808319 HAFPICTWJMWFAY-UHFFFAOYSA-N 426.973 5.156 30 20 IKED C/C=C/c1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)c(OC)c1 920138684 HOEYOJKQYJYXBX-VZSQWMKGSA-N 434.517 5.116 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc(F)c(F)cc5[nH]4)CCC3)cc2)C1 1785807967 YPWPOAIORBLBAO-UHFFFAOYSA-N 435.474 5.160 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cccnc4[nH]3)CCC2)cc1 1789454450 YTPYIIDERSXVDX-OAQYLSRUSA-N 428.536 5.079 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ncccc4[nH]3)CCC2)cc1 1789457816 AJMXIIPYNUADDV-HXUWFJFHSA-N 428.536 5.079 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1)C(F)(F)F 1790082744 LHDKEEPLXIHYHR-UHFFFAOYSA-N 447.844 5.078 30 20 IKED CCOc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4)cc3)CCC2)c1 1790258368 KXPZGANUTRHPJB-UHFFFAOYSA-N 439.515 5.018 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccccc3)CC2)CC1 1823780547 FCXOXOLTUWPYKZ-JWQCQUIFSA-N 434.624 5.106 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@]2(F)CCCC=C2F)CC1 1824146184 UITCCTYSCGIYQU-OFVILXPXSA-N 434.571 5.120 30 20 IKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)CC1 1828166635 XFCPROHSMHPFEB-GOSISDBHSA-N 431.001 5.364 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C3CC3)cc2)CC1 1830748691 CSBKQQIUELHRMA-IZZNHLLZSA-N 434.624 5.566 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3ccoc3c2)CC1 1830904316 GSLUGNMHHRZYMV-HSZRJFAPSA-N 436.596 5.659 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)ccc2F)CC1 1832593554 SXMLIPJDIGTWLJ-HSZRJFAPSA-N 444.591 5.060 30 20 IKED CN(C(=O)CSc1ccccc1C(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCCC1 15542624 HSDXPSUSGHNKCS-UHFFFAOYSA-N 441.984 5.347 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2ccc(Br)cc2C)n1 21515066 PHWIVNMNIXWRFU-UHFFFAOYSA-N 444.276 5.082 30 20 IKED C=CCn1c(SCC(=O)c2ccc(OC(F)F)cc2)nnc1-c1ccc(Cl)cc1 21673294 YLQGSXOXZROFBH-UHFFFAOYSA-N 435.883 5.361 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2ccc3c(c2)CCCC3)c(C)[nH]1 23603399 DIADWDYUCGCMHK-UHFFFAOYSA-O 440.539 5.127 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1 43767318 NVQPOAYWKHOAHK-UHFFFAOYSA-N 438.487 5.568 30 20 IKED Cc1ccc(-c2c(C)sc3nc(CSCCOc4ccc(C#N)cc4)[nH]c(=O)c23)cc1 58692732 UOZHTEKBOYVJNE-UHFFFAOYSA-N 447.585 5.452 30 20 IKED Cc1ccc(C#N)cc1NC(=O)C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 60636772 QLQMDVSYHVYEPD-UHFFFAOYSA-N 438.314 5.018 30 20 IKED Cc1ccc(Cl)c(O[C@@H](C)/C(O)=N/c2ncn(Cc3cccc(Br)c3)n2)c1 64457120 GJWOGBGOERMUFF-ZDUSSCGKSA-N 449.736 5.106 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 108598023 UNNKHSSYYKDYSK-RUZDIDTESA-N 425.488 5.051 30 20 IKED Cc1nc(-c2c[nH]c(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c2)cs1 195586665 YWFUQFYDMUOYAA-UHFFFAOYSA-N 430.508 5.300 30 20 IKED COc1cc([C@@H](C)Nc2ccc(C#N)cc2Br)ccc1OCc1ccncc1 301895020 XNWYOUPXNUZYPJ-OAHLLOKOSA-N 438.325 5.476 30 20 IKED Cc1cc(OC(F)F)c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)s1 303513886 CWOFHOZEWWENRV-UHFFFAOYSA-N 427.432 5.034 30 20 IKED COC(=O)c1cccc(-c2nc(CSc3nc(C)cc(C(F)(F)F)c3C#N)cs2)c1 303956071 XHVXWENKSNFFKJ-UHFFFAOYSA-N 449.479 5.483 30 20 IKED N#Cc1ccc(NC(=O)c2ccc(Br)cc2C(F)(F)F)cc1Br 323976670 CYPNDDYSAYJCKJ-UHFFFAOYSA-N 448.036 5.354 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCO[C@]4(CCSC4)C3)cc2Cl)cc1 426078594 JRVMCJXOBUPILN-HTAPYJJXSA-N 443.956 5.180 30 20 IKED Cc1nc([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cs1 429461655 LNWFHGTYGRBOML-HSZRJFAPSA-N 432.549 5.580 30 20 IKED CCN([C@@H](c1ccc(Cl)cc1)c1cccnc1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 431927062 RIWGJNIHCWWVSK-NRFANRHFSA-N 446.359 5.060 30 20 IKED CC1(C)CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)[C@@H]1c1cccnc1 432853394 OTLSCXJVEBHPBT-HSZRJFAPSA-N 446.938 5.801 30 20 IKED COC(=O)[C@@H](Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)c1cccc(C#N)c1 434874077 OIAXJLXLUQDBKY-FQEVSTJZSA-N 427.382 5.091 30 20 IKED Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 435769884 BPGGOQGWJKEGGW-GFCCVEGCSA-N 440.208 5.861 30 20 IKED COc1ccccc1C[C@@H](C)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 437739552 XGEWUZDOOUGFCV-WZONZLPQSA-N 447.966 6.099 30 20 IKED C[C@@H](SCc1ccc(C#N)cc1Cl)c1nc(O)c2c(-c3ccco3)csc2n1 438872956 IOXKHCYLFFWXAX-LLVKDONJSA-N 427.938 6.176 30 20 IKED COc1ccc(-n2c(SCc3ccc(C#N)cc3Cl)nnc2-c2ccccn2)cc1 438890245 LMRRHQVQSQRJTD-UHFFFAOYSA-N 433.924 5.155 30 20 IKED Cc1cc(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c2cccnc2c1C 439389551 WMQQORDTKPGBOZ-UHFFFAOYSA-N 436.471 5.093 30 20 IKED C[C@H](NC(=O)Cc1noc(-c2ccc(C3(C#N)CC3)cc2)n1)c1ccc(Cl)cc1Cl 445739110 JIWROPUBOYQEJT-ZDUSSCGKSA-N 441.318 5.018 30 20 IKED COc1ccc([C@H]2CCCCCN2C(=O)CNc2ccccc2SC[C@H](C)C#N)cc1 446621430 AWUSCSQUMAEFQJ-AUSIDOKSSA-N 437.609 5.503 30 20 IKED FC(F)(F)CSc1ccc(C(F)(F)F)cc1NCc1nc(CC(F)(F)F)no1 462240870 KCXVWFQLDDEEMM-UHFFFAOYSA-N 439.303 5.460 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(-c3cscn3)c2)cc1 463295075 IGDQGSPRMRWFCH-UHFFFAOYSA-N 425.513 5.707 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)[C@H](C)Oc1ccccc1C#N 464238236 BAFAPMFHYULOKM-INIZCTEOSA-N 433.895 5.178 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1CN(C)Cc1ccco1 466016205 KPDRAFPJIOMSNZ-UHFFFAOYSA-N 444.579 5.151 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@H](Cc2csc3ccccc23)C1 466417102 WHCLLHGATHGTSM-HXUWFJFHSA-N 434.609 5.042 30 20 IKED C[C@@H](CCc1ccc(OC(F)F)cc1)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469080257 PPNLYDSXCCPSPH-KRWDZBQOSA-N 427.495 5.304 30 20 IKED CCOC(=O)c1ccc(C#N)c(S[C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)n1 471254446 UOOQSLJAKBSWCP-JTQLQIEISA-N 449.319 5.340 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 471356205 YGPCRBWEHFLLOH-CQSZACIVSA-N 426.303 6.103 30 20 IKED CN(C(=O)c1ccc(Cl)c(NC(=O)C[C@@H](CC#N)c2ccccc2)c1)c1ccccc1 476075193 QFGHYEHDFSTYGZ-LJQANCHMSA-N 431.923 5.643 30 20 IKED Cc1cccc(CC2(O)CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)CC2)c1 477689255 BLPMKJSURCHUMY-UHFFFAOYSA-N 442.584 5.228 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Cl)cc3Br)cc2)nc1 478931215 DULDJRXIWXANRH-UHFFFAOYSA-N 428.673 5.414 30 20 IKED N#Cc1ccc(CN2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c(Br)c1 481092474 MUIRQCURJAPWDE-ZDUSSCGKSA-N 430.293 5.176 30 20 IKED Cc1csc(Sc2ccc(C(=O)[C@@H](C#N)c3nccc4ccccc34)cc2[N+](=O)[O-])n1 483211237 NOGBNFVUDLBNDZ-KRWDZBQOSA-N 446.513 5.549 30 20 IKED C=CCC[C@@H](C(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1ccccc1 487471768 PYDRRINWULRPQV-RUZDIDTESA-N 429.564 5.172 30 20 IKED C=CCn1c(S[C@@H](C)c2cnc(C)cn2)nc2scc(-c3cccs3)c2c1=O 488263560 NPJSHVRDFRCFFV-ZDUSSCGKSA-N 426.592 5.324 30 20 IKED CC(C)c1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)o2)cc1 488801826 QAJUASVLNDIUGD-CYBMUJFWSA-N 426.929 5.504 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 489657301 HVMXXHAHYFEFBS-KRWDZBQOSA-N 433.537 5.255 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2nnc(/C=C\c3ccco3)s2)c1 490277001 UJLMWRVIBWOILW-KHPPLWFESA-N 428.473 5.004 30 20 IKED C=CCOc1ccccc1CN[C@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1 492163601 XHXNTWWMSWUOPV-AREMUKBSSA-N 435.589 5.097 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(O[C@H](C)c3ccccc3)cc2C)cc1 502526691 NUVBPAPDWDSPNU-LJQANCHMSA-N 444.535 6.087 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(OC)ccc1Cl 502654132 VRXTWLJGFOBGEB-UHFFFAOYSA-N 427.701 5.470 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)cc1 503039336 DLUAJDWGYGDARW-HSZRJFAPSA-N 444.604 5.470 30 20 IKED N#CCCN(CC1CC1)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 505169596 PRTMOIFUZFRYSV-XMHGGMMESA-N 446.532 5.287 30 20 IKED COC(=O)c1c(NC(=O)N(C)C[C@H](C)C#N)sc(C)c1-c1ccc(Cl)cc1Cl 506970104 SDPSBKDCJUIDEC-SNVBAGLBSA-N 440.352 5.440 30 20 IKED C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C(F)(F)F)C(C)(C)C1 508885396 PFZYNOKJSQQRSU-PBHICJAKSA-N 426.458 5.158 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1 509728425 LIJJZKOVSCIJOG-FQEVSTJZSA-N 449.448 5.455 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C 510237020 CRJVGUOPEWIAOF-UHFFFAOYSA-N 443.507 5.412 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccccc3Oc3ccncc3)c2)cc1 510515345 QJDLBJDOCBWBSX-UHFFFAOYSA-N 435.483 5.771 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)Nc3nc(-c4ccccc4OC(F)F)cs3)CC2)c1 510825888 JZKAGUFAMOCTPE-UHFFFAOYSA-N 429.423 5.093 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 510888919 UIOBOAYIXBKKMZ-SFHVURJKSA-N 425.488 6.630 30 20 IKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)c2ccc3ccccc3c2)cc1 511151357 TXEKXUBYBSTBQX-UHFFFAOYSA-N 428.513 5.286 30 20 IKED CCN(C(=O)Cc1c(F)cccc1C#N)[C@H](c1cccnc1)c1csc2ccccc12 512697477 RUVHQRAZUSPEBI-RUZDIDTESA-N 429.520 5.488 30 20 IKED Cc1ccc(Sc2ccc(NC(=O)N3CCN(c4ncccc4C#N)CC3)cc2)c(C)c1 515230929 QMAQCDXVKZNCBP-UHFFFAOYSA-N 443.576 5.075 30 20 IKED Cc1nc(SCC(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)c(C#N)c(C)c1C 515676727 XCIZQIIIJQYBQL-UHFFFAOYSA-N 448.523 5.001 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2 516641147 QYERYJHQFCJDCX-INIZCTEOSA-N 426.476 5.036 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1 517338845 QNJZTGAGOVOBQF-DEOSSOPVSA-N 434.536 5.206 30 20 IKED N#C[C@H](C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1)c1nc(-c2ccccc2)cs1 518260634 PGUTZGOTCKHWGD-MRXNPFEDSA-N 445.525 5.195 30 20 IKED COc1ccc([C@H](NC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccc(F)cc2)cc1 519449100 VEVITCIIPIGTAO-BXKMTCNYSA-N 449.551 5.997 30 20 IKED Cc1cc(Sc2ccccc2)ccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 520582594 QRAVZBWYRROQNW-UHFFFAOYSA-N 443.572 6.093 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCc2ccc3nc(O)[nH]c3c2)cc1Cl 520720607 WXMBSPNGXWEAGL-HXUWFJFHSA-N 444.922 5.539 30 20 IKED Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c12 521797403 PRSKMQVGOXLRNR-OAHLLOKOSA-N 428.517 5.845 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 522571864 DAVWTTDXFCWZCQ-UHFFFAOYSA-N 442.906 6.059 30 20 IKED Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2F)cnn1-c1cccc(C(F)(F)F)c1 524115071 SRYYLIDVKDBUFJ-UHFFFAOYSA-N 431.311 5.610 30 20 IKED C=CCOc1ccc(CN[C@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)cc1OC 524687444 PCYWTUJCXIIDMM-FQEVSTJZSA-N 436.577 5.559 30 20 IKED COCc1c(C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)sc2cccc(F)c12 531115642 HUJLNYSQFCCDHX-HNNXBMFYSA-N 438.402 5.080 30 20 IKED C=CCC[C@@H](NC(=O)N[C@H]1CCN(C(C)=O)c2ccccc21)c1ccc(C(F)(F)F)cc1 535267883 DZAZPNLUEOOUML-RTWAWAEBSA-N 445.485 5.510 30 20 IKED Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 536717526 KRSYPHAMSWSOCJ-MRXNPFEDSA-N 429.467 5.681 30 20 IKED CN(Cc1ccccc1NC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)c1cc2ccccc2o1 538522083 CMQWMNONOULFAZ-UHFFFAOYSA-N 449.510 5.512 30 20 IKED CSc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1C 539377216 NZXRDEWVYGVGBW-UHFFFAOYSA-N 447.585 5.572 30 20 IKED CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)o2)cc1 542039527 TZTMNQQHDJDYAM-UHFFFAOYSA-N 430.851 5.112 30 20 IKED COc1cc(C(=O)N2CCC(CC#N)CC2)ccc1OCc1ccc(Cl)cc1Cl 542906245 RRFJXGFJXCCRMW-UHFFFAOYSA-N 433.335 5.347 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Cc3coc4ccc5ccccc5c34)CC2)c(F)c1 552690849 JANNIEXEKKRHJR-UHFFFAOYSA-N 428.463 5.209 30 20 IKED Cc1ccc([C@H](N[C@H]2CCCc3cc(C#N)ccc32)c2cccc(S(C)(=O)=O)c2)c(C)c1 552922697 OTTITDOIPIHIMQ-RRPNLBNLSA-N 444.600 5.335 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 554366291 ZSRSUQSVVPLYIP-UHFFFAOYSA-N 446.477 5.279 30 20 IKED C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H]1c1ccc(COC)o1 558453322 YBBYYOFDQMDGOF-PZJWPPBQSA-N 436.556 5.302 30 20 IKED C[C@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)Nc1cc(Cl)ccc1Cl 562232293 KMQPOUVKJXCREW-ZDUSSCGKSA-N 427.291 5.491 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1)C1CC1 570427453 ZLOXFEDZFWDAOF-UHFFFAOYSA-N 427.529 5.477 30 20 IKED C=CCn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)c1ccc(-c2ccccc2OC)cc1 574003773 MVCSNJOPNJTERF-FQEVSTJZSA-N 439.563 5.323 30 20 IKED CC[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccc(OC)c(OC)c1 588235344 BUJGLMMQVNSPQT-HXUWFJFHSA-N 432.480 5.036 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1 603755436 UMZKJKGFGHNAPB-QFIPXVFZSA-N 435.321 5.099 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N[C@H](CC(F)(F)F)c3ccccc3)s2)cc1 604083615 QFSJAGYAMBMNAD-GOSISDBHSA-N 430.455 5.421 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCc2sccc2[C@H]1c1cccs1 604165294 AAKXITUIVOGRKK-FQEVSTJZSA-N 446.519 5.537 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccn(-c2cccc(Br)c2)n1 609377891 JVRODKKHEZUGJK-CQSZACIVSA-N 441.354 5.139 30 20 IKED Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609936684 ZTWPFNNMQFJECB-DEOSSOPVSA-N 445.588 5.465 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cnc(-c3ccccc3Cl)s2)c1C 610053473 FVTQQFLBJWFTMM-UHFFFAOYSA-N 433.924 5.390 30 20 IKED CC(C)(C#N)CCSc1nnc(CN2CCCCC2)n1-c1ccccc1C(F)(F)F 610285515 NSZMEQFMZJWOPV-UHFFFAOYSA-N 437.535 5.304 30 20 IKED CC(=O)Nc1c(C)ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1C 611183747 SWBYONDBEGTLIG-UHFFFAOYSA-N 433.895 5.832 30 20 IKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)cc12 613290557 GFNSPJZTWUGHFZ-LJQANCHMSA-N 426.476 5.573 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)cc12 613291166 UVXZNEOETKEQOC-HXUWFJFHSA-N 440.503 5.632 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 615971307 FEJWFVJGZJSEQZ-UHFFFAOYSA-N 448.881 5.108 30 20 IKED C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 618198586 FSDDBFLRCDQFAX-HXUWFJFHSA-N 426.564 5.001 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C)n(CC(F)(F)F)c3C)n2)cc1 619756439 IQUQKVASISTMMU-KRWDZBQOSA-N 433.455 5.289 30 20 IKED Cc1ccc(F)cc1C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 648890034 ZXNOBGSOQPPBKO-UHFFFAOYSA-N 425.300 5.269 30 20 IKED CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 670066665 HAFZLQMEUBPOMH-RYUDHWBXSA-N 446.317 5.161 30 20 IKED C=CCC[C@H](NC(=O)Nc1cccc(CN2CCCC2=O)c1)c1ccc(C(F)(F)F)cc1 676746587 IVCDQJVIAOIDOQ-NRFANRHFSA-N 445.485 5.657 30 20 IKED C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1OC 726627292 PRDAYPRHSIZIGY-GRSHGNNSSA-N 442.949 5.191 30 20 IKED C[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)NC(=O)C1CCCCC1 727628736 XNGPAIVWYAPSFF-KBXCAEBGSA-N 429.973 5.115 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)cc1 727788875 RJPFKSXTPGSBKE-AREMUKBSSA-N 437.543 5.401 30 20 IKED Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)o2)cc1 728668490 WHDDTWSCRWVMTP-QGZVFWFLSA-N 425.444 5.627 30 20 IKED Cc1ncccc1/C=C1/CN(Cc2ccc(Cl)cc2)C/C(=C/c2cccnc2C)C1=O 728787557 OOLHLGHTLHWGDX-GACBQCINSA-N 429.951 5.299 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2cc(Br)cs2)cc1 730473694 HLJPCAQCLUIONC-HXUWFJFHSA-N 425.351 5.737 30 20 IKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 730687814 QAZRJPDBOKHBCY-IHRRRGAJSA-N 425.674 5.237 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 731372672 AGDPKVBQWGSBOA-GOSISDBHSA-N 429.545 5.116 30 20 IKED Cc1cc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c(C)n1-c1ccc(C#N)cc1 732120998 ZQOQCHXPTIMPPH-UHFFFAOYSA-N 431.499 5.761 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)ccc1OC 733277668 NMDNRPSHXQLCLE-AUSIDOKSSA-N 445.563 5.334 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)c1 733774788 KTPCPYVIAFRHHO-NRFANRHFSA-N 437.499 5.620 30 20 IKED C=CCOc1ccc(/C=C/C(=O)N[C@H](Cc2ccc(C)cc2)c2ccccn2)cc1OC 734400447 QSEIABBVNRTQPO-DQRYEYLNSA-N 428.532 5.077 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)OCc2cc(Cl)ccc2OCC#N)cc1 735329799 MHEOEVJSFXQBDT-UHFFFAOYSA-N 426.925 5.269 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)OCc2cc(Cl)ccc2OCC#N)ccc1F 735349809 LINDIMAMPSQGMO-UHFFFAOYSA-N 434.851 5.085 30 20 IKED Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1ccncc1F 741175400 KOLLSHZNOGHVJW-FQEVSTJZSA-N 436.468 5.055 30 20 IKED Cc1c(C(=O)/C=C/c2ccc(O[C@@H](C)C#N)cc2)cnn1-c1ccc(Cl)cc1Cl 743056295 UQMXDDOLCQYUJF-SEIPJRMCSA-N 426.303 5.675 30 20 IKED C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 744596010 FGAHUPQBGCOBKY-LBPRGKRZSA-N 427.353 5.087 30 20 IKED O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(-c2ccncc2)cc1 745989887 FHSPCOQMXOTUPU-OUKQBFOZSA-N 442.522 5.952 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)n1 747193357 IRGQGGAYAAKYHT-CZUORRHYSA-N 445.997 6.073 30 20 IKED C[C@@H](OC(=O)CSCc1ccc(C#N)cc1)c1ccccc1NC(=O)c1ccccc1 748020782 RJVHVHDWEPUFTL-GOSISDBHSA-N 430.529 5.348 30 20 IKED C[C@@H](OC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccc(C#N)cc1 748685429 QCCUQFJTPOVLAW-UZUQRXQVSA-N 432.907 5.377 30 20 IKED CCOC(=O)Nc1ccc(N[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1C#N 752797685 SFXHRWNVBVFDHG-JOCHJYFZSA-N 432.455 5.058 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)CCCCc1ccc(Cl)c(Cl)c1 753533144 MNLWLFUUNAHVSJ-INIZCTEOSA-N 433.335 5.452 30 20 IKED C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cc(Br)cc(Br)c1O 756857765 QKRZXGLWSAEROU-LLVKDONJSA-N 436.147 5.129 30 20 IKED C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cc(Br)cc(Br)c1O 756857769 QKRZXGLWSAEROU-NSHDSACASA-N 436.147 5.129 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc3ccccc3c2O)cs1 757473263 CTMLTOLCEWFLET-LCYFTJDESA-N 448.931 6.236 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2cc3ccccc3cc2OC(F)F)cc1C#N 761779436 UUWTWAKVJAKDKN-UHFFFAOYSA-N 425.391 5.134 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN(C)Cc2cccc(C(F)(F)F)c2)c1=S 764898070 LZTGMFPLYPYFPM-UHFFFAOYSA-N 433.503 5.160 30 20 IKED CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(OCc2cccc(F)c2)cc1 767211577 DBZJZVPEJSUKAT-UHFFFAOYSA-N 448.523 5.233 30 20 IKED N#CCOc1ccc(CN2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1 769229376 KENLVKLGJZXSQO-IBGZPJMESA-N 444.375 5.200 30 20 IKED COc1ccc(CN2CCCCC[C@@H]2C[C@@H](O)c2cccs2)cc1OCCCC#N 770292726 KYFCENNTKZABHT-NHCUHLMSSA-N 428.598 5.308 30 20 IKED N#Cc1cc(/C=C2\CC3(CCOCC3)C/C(=C\c3ccc(F)c(C#N)c3)C2=O)ccc1F 770571460 DYDICQHINZXZOF-LQGKIZFRSA-N 430.454 5.335 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)cc1 775487555 KJOXXVVGQCDTKK-UPVQGACJSA-N 449.913 5.740 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl 779461005 CDTJHHVESTYUAI-CYBMUJFWSA-N 430.295 5.173 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccccc1CSc1nc2ccccc2o1 780165744 PUWYTVOCCXRYQN-INIZCTEOSA-N 429.501 5.663 30 20 IKED N#Cc1cccc(COc2ccc(NCc3noc(-c4ccc(F)cc4F)n3)cc2F)c1 780295726 ARBDMSXLNDMYEW-UHFFFAOYSA-N 436.393 5.217 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2cccc(Oc3ccccc3)c2)cc1 782831018 OXWVSNIVHJHENK-AREMUKBSSA-N 447.494 5.712 30 20 IKED CC[C@@H](C)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 782957465 URMQKDJIXQKTHU-CJFMBICVSA-N 425.532 5.108 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCC(=O)c3ccc4c(c3)CCC4)n2)cc1 783361576 QPJBCCPWINUKBC-NRFANRHFSA-N 425.513 5.010 30 20 IKED C[C@@H](Oc1ccc(C(=O)OCc2nnc(-c3cccc(C#N)c3)o2)cc1)c1ccccc1 788226581 MRIBKTIPOXDIAZ-QGZVFWFLSA-N 425.444 5.105 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)O[C@H](c3ccc(C(F)(F)F)cc3)C(C)C)CC2)o1 790866238 JTXZONCHPAVKKX-IBGZPJMESA-N 435.446 5.030 30 20 IKED N#C[C@H](C(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1)c1cnc2ccccc2n1 792107767 HZCNSUMCXIMPMF-MSTPFNHUSA-N 427.866 5.839 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1 793407450 OZBCUEHEIKLMGC-UHFFFAOYSA-N 449.551 5.333 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2F)cs1 814191611 RPZQIOVRDRMGDO-WTKPLQERSA-N 445.859 5.425 30 20 IKED CC(=NNc1oc(C(C)C)nc1C#N)c1sc(-c2ccccc2Br)nc1C 814820403 BDMKJALDAGLMPX-UHFFFAOYSA-N 444.358 5.700 30 20 IKED Cc1nn(-c2ccccc2)c2nc(Cl)c(C=NNCc3cnc4ccccc4c3)cc12 814877510 YFDMUDVIGCQEHY-UHFFFAOYSA-N 426.911 5.054 30 20 IKED Cc1cc(C#N)cnc1C(=O)O[C@H](C)c1nc2cc(Cl)ccc2n1Cc1ccccc1 815338866 QHGPDHCFEUZFLL-MRXNPFEDSA-N 430.895 5.231 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(Cl)c(F)cc1Cl 815505102 XCBZCFDJEBNCEW-NSHDSACASA-N 441.311 5.322 30 20 IKED CS(C)(=O)=Nc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 820378919 RWCIYHLREQKEON-UHFFFAOYSA-N 435.574 5.462 30 20 IKED CCCOc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1OCC 916928566 NYADKVYGOHSOLH-HNNXBMFYSA-N 435.307 5.142 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCN2c3ccccc3Sc3ccccc32)cc1 916951304 XQSZDQXUTQEOEW-IBGZPJMESA-N 443.528 5.036 30 20 IKED CCCCCCOCc1cccc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 920875264 ZCVJWUDYGAZPAV-UHFFFAOYSA-N 448.611 5.395 30 20 IKED C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1507789794 LJMZOTLHHALOMF-HXUWFJFHSA-N 444.421 5.000 30 20 IKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccoc4Cl)cc3)CCC2)cc1 1790203559 WHUSYTDYLMTDSK-UHFFFAOYSA-N 447.922 5.185 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)CSc4ccccc4)CCC3)cc2)c1 1790255203 IXSOUPUWGPRAJW-UHFFFAOYSA-N 441.556 5.098 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ncccc3-c3ccccc3)CCC2)cc1 1791582640 HKBCIUHUAIVWFW-UHFFFAOYSA-N 437.543 5.300 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3occc3c2)[C@H]1c1cccnc1 1802498187 MRMUPTDAEZHKSE-UPVQGACJSA-N 445.563 5.140 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@H](C)Sc3ccccc3)CC2)C1 1804859777 LDRLPOKRIHDSRD-NRFANRHFSA-N 442.669 5.391 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc3ccccc3c2)[nH]n1 1821919080 PSLTVDUBCNLFSP-WZONZLPQSA-N 430.552 5.010 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3cc[nH]c23)CC1 1823752735 XPBKDUINWJNGBS-QHCPKHFHSA-N 435.612 5.394 30 20 IKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(C)(C)C)s2)CC1 1827904424 LJTLOLLHFSHROU-LJQANCHMSA-N 448.698 5.198 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cnccc3c2)CC1 1828828580 MGNRMGCFVUDWHX-UIOOFZCWSA-N 445.607 5.237 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCc3cccc(Cl)c32)CC1 1831226422 VOCFEVBKTJLOAL-AVCGJXAMSA-N 443.031 5.202 30 20 IKED Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832633008 AZAOYLCPQLUXLM-LVXARBLLSA-N 443.591 5.169 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)CCc2ccc(Cl)cc2Cl)C1 1845934146 FVPCCBFYJDHXKK-UHFFFAOYSA-N 437.411 5.122 30 20 IKED COc1ccc(/C=C2\N=C(SC[C@H](C#N)CCC#N)N(c3cc(C)cc(C)c3)C2=O)cc1 15232816 OXNHKSISEVTUOA-FVHJOOJJSA-N 444.560 5.233 30 20 IKED CCn1c(S[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nnc1-c1ccc(Cl)cc1 21849115 IDPHWBXBFFRKBP-JXORXQGFSA-N 446.020 5.030 30 20 IKED C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 22132922 CBWRGPNURGKIKX-SITPEIFSSA-N 445.592 5.036 30 20 IKED Cc1ccc(N/C(S)=C(\C(=O)c2cc(C)[nH]c2C)[n+]2ccc3c(c2)CCCC3)c(C)c1 23603689 UMWCHAIXFGDKSU-UHFFFAOYSA-O 432.613 5.466 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccncc3)Cc3cccnc3)cc2)cc1 79101507 LJEUTCOQOSDERB-UHFFFAOYSA-N 435.487 5.375 30 20 IKED N#Cc1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)ccc1Cl 105469153 OPEWBHUWSZSRQN-UHFFFAOYSA-N 425.197 5.322 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)cc1 117644589 GAGANTZDCNQVRL-UHFFFAOYSA-N 447.720 5.144 30 20 IKED CN(C)c1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(F)(F)F)c1 138646896 USNDJKTVRDBZMB-UHFFFAOYSA-N 444.297 6.061 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC(c2c[nH]c3ccccc23)CC1 303421767 YQIBAANMWAEFBO-SFHVURJKSA-N 432.593 5.238 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3ccc(OC)cc3)no2)nnc1-c1ccc(F)cc1 426616960 ZDEUWQVYJNLXCD-CQSZACIVSA-N 437.500 5.182 30 20 IKED COc1ccc(CN(CCc2ccccn2)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 431813789 REVQSYYBUDLMAQ-UHFFFAOYSA-N 428.536 5.168 30 20 IKED CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 431889851 OMDWQVVCJUVHTF-JTHBVZDNSA-N 447.970 5.971 30 20 IKED N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3ccc(Oc4ccccc4Cl)cc3)C2)nc1 432688493 CPZRGJMSFQZBCQ-LJQANCHMSA-N 434.883 5.084 30 20 IKED Cc1csc(N2CCC(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CC2)n1 437493593 LBJRHJVRERWILX-UHFFFAOYSA-N 436.512 5.110 30 20 IKED Cc1ccc(NC(=O)CSCc2ccc(C#N)cc2OC(F)F)c(Br)c1 439541370 LDXFMGCGDJGLOZ-UHFFFAOYSA-N 441.297 5.103 30 20 IKED CCCc1c(NC(=O)N2CCC(Oc3ccc(C)cc3)CC2)cnn1-c1cccc(C#N)c1 439673311 MUPCIWYHSRYUOO-UHFFFAOYSA-N 443.551 5.080 30 20 IKED COCCCOc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 442668046 CDPULWURSXBJIM-IBGZPJMESA-N 426.925 5.369 30 20 IKED COc1ccc(CNCc2ccc(-c3ccccc3C#N)cc2)c(OCc2cccnc2)c1 443983043 DINYKSGKRFXCBW-UHFFFAOYSA-N 435.527 5.498 30 20 IKED Cc1cccc(NC(=O)Cc2noc(-c3ccc(Oc4cccc(F)c4C#N)cc3)n2)c1 445320132 NUNSLWNCMSSBPZ-UHFFFAOYSA-N 428.423 5.029 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCC(=O)c1csc2ccccc12 445846812 NYNOENYSKQZPIN-UHFFFAOYSA-N 441.512 5.870 30 20 IKED N#C[C@@H](NC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1cccc(C(F)(F)F)c1 446008752 CFNYRNRAUJGUOF-MRXNPFEDSA-N 430.323 5.276 30 20 IKED CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2Cl)c2cccs2)cc1 447249097 WJZUDESJYQDNAT-OAQYLSRUSA-N 437.952 5.241 30 20 IKED C=CCN(C(=O)c1ccc2nc(C)ccc2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 448167950 DDIHWJNCQLFCDI-UHFFFAOYSA-N 430.489 5.408 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccccc1C 461740306 TYTWMTNCGAVXOJ-INIZCTEOSA-N 426.973 5.521 30 20 IKED N#CCCCOc1cccnc1NC(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F 466601484 NJEQBPDABXYLIK-SFHVURJKSA-N 432.446 5.542 30 20 IKED CC(C)c1ccc([C@H]2CCCN2C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 470546100 JZILNEIEOFMVCE-XMMPIXPASA-N 444.579 5.762 30 20 IKED N#CCC[C@@H](NC(=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1)c1ccccc1 474018578 UNXBOVCSJAVYKJ-UXHICEINSA-N 433.499 5.550 30 20 IKED COc1ccc(CCC(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1F 474261472 ZZXSGMBNYMFTMB-MRXNPFEDSA-N 437.355 5.596 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 474739611 SYGBKSGEMXWOJH-UHFFFAOYSA-N 426.442 5.069 30 20 IKED C[C@H]1CCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)[C@@H](c2ccco2)C1 480387570 WHNIFABRFCSNJF-WMLDXEAASA-N 439.566 5.300 30 20 IKED Cc1nnc(-c2ccccc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)o1 481513580 VYJGLDNRJWYUIF-UHFFFAOYSA-N 444.878 5.401 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(F)cc2F)cc1)c1nc2ccccc2n1C(F)F 483256033 XDSZYPFMYIQPRQ-INIZCTEOSA-N 439.368 5.992 30 20 IKED N#CCCC[C@@H](NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1ccccc1 487615480 GKFYCDYMFSXVOH-QGZVFWFLSA-N 441.318 5.741 30 20 IKED Cc1ccc(CSCCNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1 492909167 VNABGPKDGSRJAZ-UHFFFAOYSA-N 432.593 5.052 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCn2c(cc3cc(Cl)ccc32)C1 494061509 XIBAUXUCDOXQAN-MRXNPFEDSA-N 438.984 5.001 30 20 IKED Cc1cc(CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)ccc1-c1ccccc1 494746082 NRIUROLOXIMGDW-UHFFFAOYSA-N 425.532 5.005 30 20 IKED CC(=O)N(c1nc(CSc2ccc(C#N)cn2)cs1)c1c(C)cc(C)cc1Cl 495277055 JCEKDMIGHPJVNY-UHFFFAOYSA-N 428.970 5.657 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)Cc3coc(-c4ccc(F)cc4)n3)c2)c1 499429845 GSNGGTYATXXBPP-UHFFFAOYSA-N 427.435 5.113 30 20 IKED C=CCN(CCc1ccccc1)C(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 502604389 DHXBMLXDEBHJTK-UHFFFAOYSA-N 439.559 5.081 30 20 IKED Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)[C@@H]1CCC[C@@H](C)C1 503297538 GCVDXWUKFSRBKK-DZRGJMJISA-N 447.579 5.300 30 20 IKED N#C[C@@H](NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccc(Cl)cc1 505821748 QHVLJEGGCMBJEZ-QGZVFWFLSA-N 435.858 5.406 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2cccc(F)c2)C2CC2)cc1 508242129 LURDNOMBRVTJAA-UHFFFAOYSA-N 431.467 5.695 30 20 IKED C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@]2(C1)OCc1ccccc12 508512658 ZELKFTXLQVZAGR-HSZRJFAPSA-N 438.984 5.046 30 20 IKED C=CCOc1cccc(NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)c1 509108978 KHGSDIUASWDXLI-UHFFFAOYSA-N 438.593 5.292 30 20 IKED N#Cc1cc(NC(=O)N2CCC(Cc3cccc(F)c3)CC2)ccc1OCC(F)(F)F 510319273 AGVAIDXJNVAFQE-UHFFFAOYSA-N 435.421 5.125 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc2c(c1)CCC(=O)N2 510670389 WWZJIFSRSVTJDM-MRXNPFEDSA-N 426.476 5.118 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCSc3ccccc32)cc1 511394707 AEQMLMZJUUEXCB-QHCPKHFHSA-N 429.545 5.690 30 20 IKED COc1cc(CN2CCC(c3noc(C(C)C)n3)CC2)ccc1OCc1cccc(C#N)c1 515702536 OBAYOWVWQDPTBP-UHFFFAOYSA-N 446.551 5.032 30 20 IKED N#Cc1cc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)nc2ccccc12 517778846 FZKSGTYMHJUFDG-UHFFFAOYSA-N 437.484 5.040 30 20 IKED N#CC1CCN(C(=O)Nc2ccc(Oc3ccccc3Br)c(Cl)c2)CC1 519452161 PQDOPNVCIJTZHY-UHFFFAOYSA-N 434.721 5.662 30 20 IKED C[C@H](Oc1ccccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccccc1 522331351 BGGHXJARQLGNFE-IBGZPJMESA-N 435.483 6.138 30 20 IKED C[C@H](Oc1ccccc1NC(=O)N1CCN(c2ccccc2C#N)CC1)c1ccccc1 522457471 QBOQQPVLMFPQSN-FQEVSTJZSA-N 426.520 5.052 30 20 IKED C[C@@H]1CCCCN1Cc1ccc(CNC(=O)c2occc2COc2cccc(C#N)c2)cc1 523282724 ZBVAFCDTRXKACB-HXUWFJFHSA-N 443.547 5.035 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1sc2nccc(C)c2c1C 524389269 ZMDDMBYBNDBETN-UHFFFAOYSA-N 427.529 5.925 30 20 IKED N#CCc1ccc(NC(=O)CNc2cc(C(F)(F)F)ccc2SCC(F)(F)F)cc1 524841668 CJMYKKVGZSGBKA-UHFFFAOYSA-N 447.404 5.476 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3c(F)cc(F)cc3F)s2)c(C(F)(F)F)c1 525559089 XNNBROJNHIINKN-UHFFFAOYSA-N 441.356 5.294 30 20 IKED Cc1nnc(SCc2c(C(=O)[C@H](C#N)c3nc4ccccc4o3)oc3ccccc23)s1 527101426 MCYPQLTXKOVBTP-AWEZNQCLSA-N 446.513 5.516 30 20 IKED C=C[C@H](CC(=O)N(CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1)c1ccccc1 533950509 WPCRBYFTWMCYBG-HXUWFJFHSA-N 433.939 5.062 30 20 IKED COCCCn1c(SCC2(C#N)CC2)nc2scc(-c3ccccc3Cl)c2c1=O 537557711 QCKPXOSQSHKUDE-UHFFFAOYSA-N 445.997 5.211 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4ccc(OC)cc4nc3C)n2)cc1 537665547 NYASPUZQLCBKNY-HXUWFJFHSA-N 429.501 5.174 30 20 IKED C[C@H](N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 539229070 KFUAYNIZBMYQSC-IRXDYDNUSA-N 446.938 5.142 30 20 IKED Cn1ncc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1-c1ccccc1 539294208 YXKMSJOAVXEEBV-NRFANRHFSA-N 426.907 5.648 30 20 IKED CN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 541658810 SKXBMNWNLLTPDZ-LADGPHEKSA-N 446.547 5.841 30 20 IKED CC(C)[C@@H](NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nnc2ccccn12 542023697 YMEGMLZURQDWIB-HOYKHHGWSA-N 438.535 5.025 30 20 IKED N#CCCN(C(=O)CCC(=O)N1CCCCC[C@@H]1/C=C/c1cccs1)c1ccccc1 542181166 XLOWMXKOCRADFF-DGXIYAMASA-N 435.593 5.260 30 20 IKED CC(C)(C)c1noc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1 543980620 JLDCAVHUMBKQMJ-GFCCVEGCSA-N 449.317 5.798 30 20 IKED C=CCC[C@@H](C(=O)Nc1nnn(Cc2ccc(C(F)(F)F)cc2)c1C)c1ccccc1 549500324 VIQRNTCTCWLELJ-HXUWFJFHSA-N 428.458 5.342 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 549698751 IAAZULJYSRTKTF-KOSHJBKYSA-N 445.542 5.032 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H](C)[C@H]1OCCc2sccc21 550961633 CSKMIYIARKAOED-MZNJEOGPSA-N 434.536 5.551 30 20 IKED N#Cc1cccc(-c2nnc(N3CCC(c4cccc(Cl)c4)CC3)n2C[C@H]2CCCO2)c1 555383366 IAYWTUUCOIITNS-HSZRJFAPSA-N 447.970 5.033 30 20 IKED COc1ccc(-c2ccc(C)c(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c2)cn1 558846759 LMQPTZMPCIPWRL-VWNXMTODSA-N 426.520 5.369 30 20 IKED COc1ccc2ccccc2c1-c1cc(CNc2nc3cc(Cl)ccn3c2C#N)on1 561291538 QETLPOBKJAOXMS-UHFFFAOYSA-N 429.867 5.288 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)c(C)c2c1 562182384 GIGYAZHERCBKSI-UHFFFAOYSA-N 439.471 5.574 30 20 IKED COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)N1CCC(C#N)(c2ccccn2)CC1 579143416 DZJHGRICMDSTEB-FQEVSTJZSA-N 440.975 5.098 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N(C[C@H]2CCCO2)c2ccncc2)c1 580356708 MKDCFROHPYKONU-HXUWFJFHSA-N 433.895 5.225 30 20 IKED O=C(COc1ccccc1OCC(F)(F)F)Nc1ccc(C(F)(F)C(F)(F)F)cc1 591781550 SFWXEPYFPXUBRK-UHFFFAOYSA-N 443.290 5.299 30 20 IKED CN(Cc1ccc(F)cc1Cl)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 593513478 HZKLNKXOIVNRDP-QWRGUYRKSA-N 434.783 5.530 30 20 IKED C=CC1CCN(C(=O)c2ccc(OCc3ccc(Br)cc3)c(OC)c2)CC1 599680877 VMUKFYUNUJYKDP-UHFFFAOYSA-N 430.342 5.075 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 603983329 WGODBBRJAQBNHW-MRXNPFEDSA-N 439.943 5.022 30 20 IKED Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604456725 PJHMUKSPADPXFN-UHFFFAOYSA-N 439.519 5.129 30 20 IKED C=CCn1c(SCC(=O)N2CCC[C@@H](C)[C@@H]2C)nnc1-c1ccc(Cl)cc1Cl 607526190 MDSKMBNLFZUQND-KGLIPLIRSA-N 439.412 5.177 30 20 IKED CC(C)(C)c1csc(CCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)n1 609207240 LQAVIZQFNLZGKV-UHFFFAOYSA-N 448.592 5.450 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)cc1 609227530 XPMWYYXRLVWUCO-XMMPIXPASA-N 443.478 5.086 30 20 IKED Cc1ccc(-c2nc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)sc2C)s1 609421243 IRMSDMFJEGHLPJ-UHFFFAOYSA-N 438.578 5.154 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccco1)C1CCCC1 609469420 JAESPRXHZMYKAY-UHFFFAOYSA-N 429.520 6.015 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(Sc2ccccc2)CCCC1 609483236 UEPNGHYARZXKMT-UHFFFAOYSA-N 429.545 6.098 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccccc3COCc3ccccc3)c2)c1 609642503 LIXYHRVXRNHLTI-UHFFFAOYSA-N 448.522 6.106 30 20 IKED CN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 612561994 RZAZYWQUFAKBSJ-JTHBVZDNSA-N 446.482 5.269 30 20 IKED C=CCn1c(SCC(=O)N[C@H](c2cccs2)C(C)(C)C)nnc1-c1ccoc1C 613907764 KRVBFTHCOMUSKG-GOSISDBHSA-N 430.599 5.090 30 20 IKED CCOCCCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@@](C)(C#N)C1 619840177 NEYAZORTMADWNX-FNZWTVRRSA-N 447.583 5.128 30 20 IKED C=CCN1C(=O)c2ccccc2N[C@@H]1c1cnc(-c2ccc(Br)cc2)s1 639403147 DSGNSZZJKXLHPO-SFHVURJKSA-N 426.339 5.325 30 20 IKED N#C[C@@H](C(=O)c1ccc(Cn2cccn2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 642282107 LTGNBIFFCOVPKO-INIZCTEOSA-N 426.423 5.050 30 20 IKED O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1cccc(C(F)(F)F)c1F 674302467 JHUMPSYLQAJTGA-UHFFFAOYSA-N 434.311 5.464 30 20 IKED N#CC1(NC(=O)CNc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)CCCCC1 728053210 UMNMBJXAMLVSOH-UHFFFAOYSA-N 431.458 5.039 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)c(Cl)nc2Cl)cc1Cl 728812537 DVLZUGMJYNEZQX-HNNXBMFYSA-N 434.685 6.089 30 20 IKED CC(C)(C)OC(=O)NC(C)(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 729319048 GHZZAJVWEQGRGL-SFHVURJKSA-N 427.932 5.237 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)OCc2nnc(-c3cccc(Cl)c3)o2)c1 730304507 ZPZVQAPWBXKVJN-UHFFFAOYSA-N 445.862 5.198 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCc1nc(C)c(-c2ccccc2)o1 730395856 JIPNXONXGLJSNC-OAQYLSRUSA-N 429.520 5.055 30 20 IKED CCN(C(=O)c1ccccc1OCC#N)[C@H](c1cccnc1)c1csc2ccccc12 732570852 WQJWXMFLYNAOLK-XMMPIXPASA-N 427.529 5.450 30 20 IKED C#CC(C)(C)NC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 733873453 XBEMOSVAHMUVBV-UHFFFAOYSA-N 425.604 5.097 30 20 IKED COc1ccc2[nH]cc(C(=O)/C=C\c3csc(N(C(C)=O)c4ccc(F)cc4)n3)c2c1 734307375 NYQVBIRQJHDBSH-YHYXMXQVSA-N 435.480 5.353 30 20 IKED COC(=O)[C@H](Sc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccc(C#N)cc1 741737161 RBPFHQCCKULJMP-LJQANCHMSA-N 435.505 5.375 30 20 IKED C[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1nc(-c2ccc(Cl)cc2)no1 742709917 WCTHXNLNYJFJLC-QGZVFWFLSA-N 444.922 5.691 30 20 IKED Cc1ccc(Oc2ccccc2NC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1 743073541 WIOVMQUNHVELKF-UHFFFAOYSA-N 442.519 5.264 30 20 IKED COC(=O)C(C)(C)c1ccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 743095739 MAISCWBRIUJJDP-QHCPKHFHSA-N 427.504 5.437 30 20 IKED N#CCCCOc1cccc(/C=C2\SC(=S)N([C@@H]3CCc4ccccc4C3)C2=O)c1 743283995 HKEDPRNROPQCEZ-AREJXAQWSA-N 434.586 5.128 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 744030848 NCCCMOVHWDNEGN-OAHLLOKOSA-N 447.709 5.102 30 20 IKED COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)OCc1ccc(F)cc1C#N 745541635 LMGJAAGRJGPUHD-UHFFFAOYSA-N 434.851 5.063 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc(Oc2ccccc2)ccn1 745947870 QMESZFLRXJJMJN-QFIPXVFZSA-N 449.466 5.627 30 20 IKED Cc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1N1CCOC1=O 746360211 OVFXTJPEPFZGPZ-UHFFFAOYSA-N 431.423 5.007 30 20 IKED N#CCCn1cc(/C=C\C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)c(-c2ccccc2)n1 747121972 BUQIPOSTEYQCRS-QXMHVHEDSA-N 437.455 5.318 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1cnn(-c2ccccc2)c1)C(=O)c1ccccc1 747150634 RQGFJHYTBMPJBP-NLRVBDNBSA-N 449.554 5.902 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nc(C2CCCCC2)no1 752634673 ARKCXZGYCQOCJA-VGSWGCGISA-N 429.524 5.655 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 752685808 IPZZTKKZPVRRQB-UXHICEINSA-N 433.899 5.226 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(CCC(F)(F)F)cc2)ccc1OC 753547800 OZFKJOLKXYMQAQ-SFHVURJKSA-N 435.446 5.193 30 20 IKED COc1ccc(C(C)(C)C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1OC 757876798 IHWDJDXMFFEXJC-AWEZNQCLSA-N 442.487 5.260 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/Cc3cc(Cl)cc(Cl)c3C2=O)cs1 764432827 NUFIAALQVKKWTC-DHDCSXOGSA-N 443.355 6.265 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1csc(-c2ccccc2F)n1 764751773 FSPYPMXWLKNJIU-UHFFFAOYSA-N 437.283 5.277 30 20 IKED C=CCn1c(-c2cnccn2)nn(CN2CCC(c3cccc4ccccc34)CC2)c1=S 764943757 GOMZOCOIZHULQP-UHFFFAOYSA-N 442.592 5.047 30 20 IKED CC(C)(C#N)CCCCOC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 768492764 KOGXXQUSCQJSKF-UHFFFAOYSA-N 441.450 5.093 30 20 IKED C=CC[C@@H](C(=O)OCc1csc(N(C(C)=O)c2ccc(C)cc2C)n1)c1ccccc1 778425906 ABFCRWQKXRXMFO-JOCHJYFZSA-N 434.561 5.848 30 20 IKED COc1ccc(NN=Cc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1Cl 782230335 MDGGYPVUPYIEBZ-UHFFFAOYSA-N 435.336 5.589 30 20 IKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCCC#N)c1 784125041 LUAVDIDBTAAMGY-NRFANRHFSA-N 434.565 5.074 30 20 IKED N#CCCCN1C(=O)CCc2cc(NCc3ccc(OCc4ccccc4)cc3O)ccc21 787423634 AAEZIRLTBIICQN-UHFFFAOYSA-N 441.531 5.166 30 20 IKED C[C@@H](Oc1ccc(C(=O)[C@H](C#N)C(=O)NCc2cccc(Cl)c2)cc1)c1ccccc1 788378613 JDJNWBIRHPCWTA-HXOBKFHXSA-N 432.907 5.119 30 20 IKED C#CCn1ccc(CN(CC)C(=O)NCc2ccccc2-c2ccc(Cl)cc2Cl)n1 789099704 FNNALRPYNPYPAW-UHFFFAOYSA-N 441.362 5.222 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1 795541274 KRIWFHFFZSKXGA-NRFANRHFSA-N 426.394 5.350 30 20 IKED N#C[C@H](C(=O)CO[C@H]1CCCc2ccccc21)C(=O)Nc1ccccc1Oc1ccccc1 797548235 DJPMUGQPNGAUIU-RDGATRHJSA-N 440.499 5.220 30 20 IKED C=CCN(Cc1cccs1)C(=O)NCc1cccc2c1CCCN2C(=O)OC(C)(C)C 807604242 ZNMUOFMTTZOWMR-UHFFFAOYSA-N 441.597 5.334 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(Cl)ncc3Br)cc2)c1 810342232 SHWURSKMNUARKH-UHFFFAOYSA-N 442.700 5.200 30 20 IKED N#Cc1csc(/C=C(/Cl)c2nc(O)c3c(-c4ccccc4Cl)csc3n2)n1 811687480 GJZMFJIJBCLCFV-WLRTZDKTSA-N 431.329 5.782 30 20 IKED C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813212218 ZOQHAOKTDBLTID-SKDRFNHKSA-N 447.638 5.160 30 20 IKED Cc1cc(SCC(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c(C)cc1Br 813219220 YBOCILLRHASRLF-CYBMUJFWSA-N 443.288 5.448 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@H]1c1noc(-c2cccc(COc3cccc(C#N)c3)c2)n1 904701531 HCGYDPLRCZQPDX-NRFANRHFSA-N 446.507 5.259 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(Cl)ccc2Br)cc1 915086355 ULQQZPQYCUHMFJ-LJQANCHMSA-N 425.713 6.010 30 20 IKED COc1cc2c(cc1NC(=O)CCCOc1ccc(C#N)cc1OC)oc1ccccc12 915803479 FLKPEWZBBISHBJ-UHFFFAOYSA-N 430.460 5.273 30 20 IKED CCOc1cc(/C=C\C(=O)c2cc(F)ccc2F)ccc1OCC(=O)Nc1ccccc1 916134440 IWHQWSFVQFDHAX-WQLSENKSSA-N 437.442 5.277 30 20 IKED N#C[C@H](C(=O)CCCCc1nc2ccccc2s1)C(=O)Nc1cccc2ccccc12 916915311 BQJNQKONYGWAHF-LJQANCHMSA-N 427.529 5.510 30 20 IKED CCOc1cc2c(cc1/C=C\C(=O)[C@H](C#N)c1nc(-c3ccccc3)cs1)O[C@@H](C)C2 917026006 VGDPXWWVKDCIJQ-HAEIJRJYSA-N 430.529 5.422 30 20 IKED N#C[C@@H](C(=O)CSc1ccccc1Cl)c1nc2cc(C(F)(F)F)ccc2s1 917043809 OXLAEQGAQANJCO-NSHDSACASA-N 426.872 5.937 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(-n3cccn3)cc2)cs1 917560768 YUYVMVPPXSUAGY-KPKJPENVSA-N 432.480 5.049 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3C)n2)cc1 920139872 ZYCSONGOAOUBBN-KDOFPFPSSA-N 426.925 5.424 30 20 IKED CC(C)(C)N(N=Cc1ccc(N2CCOCC2)s1)C(=S)Nc1cccc(Cl)c1 920384669 AMTSUCMZOCENOA-UHFFFAOYSA-N 437.034 5.070 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)C4CCC(F)(F)CC4)cc3)CCC2)c1 1786244872 RFXMHFBZKKHBAO-UHFFFAOYSA-N 437.490 5.131 30 20 IKED N#CCC(=O)Nc1ccc(C2(NC(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)CCC2)cc1 1787651610 ZWUQZKJNVBXNNT-UHFFFAOYSA-N 442.346 5.073 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)/C(C)=C/c3ccc(C)o3)CCC2)cc1)C(F)(F)F 1791302434 IHUUGLMXGCABKL-BUHFOSPRSA-N 432.442 5.244 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@H](C)c3ccccc3)cc2)CCC1 1791339305 IUDBUKJJHDREJJ-VQTJNVASSA-N 435.568 5.115 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@@H]4c4ccccc4)cc3)CCC2)cc1 1791531949 AOCOZYXEJRGBIP-RPBOFIJWSA-N 435.527 5.110 30 20 IKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](CC)c2ccccc2)[C@@H]1c1cccnc1 1803082270 QPUHFRSBHLMLGM-KKUQBAQOSA-N 445.607 5.050 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccnc1 1810505537 XSRUKZCZWMCSCB-IFMALSPDSA-N 439.987 5.047 30 20 IKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4occ(Cl)c4c3)[nH]n2)C1 1814396685 GYHVAHMBDCSYDZ-IBGZPJMESA-N 438.915 5.081 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C(C)=C/c2cccs2)[nH]n1 1814823870 AYUYSIQUFLFWDU-QGUORLBXSA-N 438.597 5.335 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c(C(C)(C)C)c2)[nH]n1 1819303639 MABWCGOPJIJJME-UYAOXDASSA-N 437.588 5.110 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2)[nH]n1 1819305155 PAKUGNPYNFZCIM-PZJWPPBQSA-N 440.975 5.066 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1831376020 HWWSSQKQNNVXMI-JTSKRJEESA-N 442.003 5.267 30 20 IKED COc1cc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc(OC)c1OC 16408398 MIQBHTLFRYYKBP-AQTBWJFISA-N 431.513 5.746 30 20 IKED C[C@H](OC(=O)c1c(Cl)ccc(Cl)c1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 21615126 YZGAYUCMXPWAMO-QMMMGPOBSA-N 443.739 5.253 30 20 IKED CCOc1cc(/C=C/C(=O)c2cnn(-c3ccc(F)cc3)c2C)cc(Br)c1O 72040176 CFTVYNWUNUMFPD-RUDMXATFSA-N 445.288 5.083 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C 108901595 OKVINLXYCSJJGP-UHFFFAOYSA-N 425.492 5.202 30 20 IKED C[C@@H](c1ccccc1)n1c(SCCCCC#N)nc2ccc(Br)cc2c1=O 195565387 YCKULQNHYKGFNK-HNNXBMFYSA-N 442.382 5.554 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1O 206088571 YCZBDKFEMNLBDK-UTCJRWHESA-N 426.650 5.011 30 20 IKED Cc1ccccc1-c1nn(-c2ccccc2)cc1/C=C\C(=O)c1cccc(N2CCOC2=O)c1 208088332 MSPBOKZKWUSOQH-PFONDFGASA-N 449.510 5.700 30 20 IKED N#CCCn1cc(CNCc2ccc(Oc3ccc(F)cc3)nc2)c(-c2ccccc2)n1 237881556 UYOYVPPHTMYPNR-UHFFFAOYSA-N 427.483 5.080 30 20 IKED N#Cc1csc(CN[C@H](c2ccc(F)cc2)c2ccccc2I)c1 237905303 UBUURAPIPBTJCC-LJQANCHMSA-N 448.304 5.243 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3cccc(OCc4cccnc4)c3)c2)cc1 303600883 JXSFCUIRHXPUKX-UHFFFAOYSA-N 435.483 5.364 30 20 IKED CCCn1nccc1C1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1 410253579 CTMFPPGGQNWBGU-UHFFFAOYSA-N 430.577 5.336 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)N(CCC#N)Cc2ccco2)c(C(F)(F)F)c1 426100156 LCJWFMZGJLMRIU-AWEZNQCLSA-N 425.476 6.137 30 20 IKED COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Nc1ccc(C#N)cc1Cl)CC2 426153043 LCKCGULIVIMHSE-DEOSSOPVSA-N 447.922 5.408 30 20 IKED Cc1c(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)sc2ccc(C#N)cc12 429820465 YKIGRBKITCJKRE-INIZCTEOSA-N 426.925 5.545 30 20 IKED COc1ccccc1-c1noc(C2CCN(c3ccc(C#N)cc3C(F)(F)F)CC2)n1 432867195 OAYRZAMGJSUMIV-UHFFFAOYSA-N 428.414 5.020 30 20 IKED CCCc1c(NC(=O)N2CCC(F)(c3ccccc3)CC2)cnn1-c1cccc(C#N)c1 433831838 PKAVLKGZVBTBQD-UHFFFAOYSA-N 431.515 5.189 30 20 IKED CCOc1ccc2c(c1)CCN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)c(F)c1)C2 434220877 QJVZBRJSRYUOQU-UHFFFAOYSA-N 445.494 5.265 30 20 IKED Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 437925252 IAEOJTJEPMPCMK-UHFFFAOYSA-N 448.910 5.658 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438665151 OZDDMHFSMRBUCT-UHFFFAOYSA-N 444.466 5.042 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccc(Cn3cccn3)cc2)cc1F 438668585 YHLZQFWHKUUQOG-UHFFFAOYSA-N 441.466 5.056 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)Nc1ccc2occ(C)c2c1 439525848 RQEMLPXUVWEABU-UHFFFAOYSA-N 439.471 5.078 30 20 IKED CC(C)(C)c1nsc(Oc2ccc(NC(=O)c3ccc(C#N)c(O)c3)cc2Cl)n1 442931912 HDPMWXLFSLQQQX-UHFFFAOYSA-N 428.901 5.111 30 20 IKED CC(C)N(C[C@H](O)COc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 445234756 ALQWOCFGUNSDGF-QFIPXVFZSA-N 445.519 5.033 30 20 IKED Fc1ccccc1-n1ccc(CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)n1 445984713 CHRSOSFVXLJGCM-KRWDZBQOSA-N 431.355 5.814 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 447355087 PINHBDGCROXCFG-STQMWFEESA-N 436.364 5.204 30 20 IKED C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 460556074 GFVVPGRSEAYORI-ISJGIBHGSA-N 444.579 5.450 30 20 IKED C[C@@H]1C[C@@H](c2ccccc2F)N(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)C1 461804224 BYUVDPNJZMBXEY-ZHRMCQFGSA-N 445.542 5.112 30 20 IKED COCCc1nc2cc(NC(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)ccc2o1 464746996 JGHXWGJYAMNHSA-UHFFFAOYSA-N 427.460 5.241 30 20 IKED Cn1c(C(F)F)nc2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)ccc21 467185718 IPCHPLWWBHVKKS-CQSZACIVSA-N 442.878 5.778 30 20 IKED C[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(C(F)(F)F)c1 470543815 OUZNTEYXPVEPQN-OAHLLOKOSA-N 444.457 5.171 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)c1ccccc1Br 473781083 DHJLGXLJIWPHRU-HNNXBMFYSA-N 442.382 5.181 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C)c(Br)c3)n2)cc1 473942296 UYARMYJQRCCKJD-INIZCTEOSA-N 427.323 5.380 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 474516880 BTZNYXCNCSPPJT-DEOSSOPVSA-N 432.955 5.564 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ncccc2Br)cc1Cl 474902426 UPTPVVYMUOBUMH-INIZCTEOSA-N 426.701 5.405 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cn1c(C)nc2cc(F)c(F)cc21 475901203 RTHBJOKAOZBACV-UHFFFAOYSA-N 448.448 5.176 30 20 IKED C=CCOc1ccc(C(=O)NCc2cc(-c3c(OC)ccc4ccccc34)no2)cc1OC 478839357 OOUKUDLRTQJSKX-UHFFFAOYSA-N 444.487 5.007 30 20 IKED CC(C)c1c(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)cnn1-c1ccccc1Cl 480552936 KXCIGBUXRYKRPJ-UHFFFAOYSA-N 448.889 5.098 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 480597262 UOZOKEIFJNECMK-UHFFFAOYSA-N 449.514 5.155 30 20 IKED Cc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 481630620 UCMPHDBTSIEFHO-OAQYLSRUSA-N 429.495 5.606 30 20 IKED Cc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cnn1-c1ccccc1Cl 482300091 FPVCNHCVBKQGEU-UHFFFAOYSA-N 433.924 5.005 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-n4nc(C)cc4C)c(F)c3)n2)cc1 483286666 XLSYEGVNQKRKCD-LJQANCHMSA-N 430.508 5.550 30 20 IKED CCCC(=O)Nc1ccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)cc1 483765739 SYMZDPKYJBDTSS-UHFFFAOYSA-N 429.545 5.378 30 20 IKED Cc1ccc(C(=O)c2c(NC(=O)C[C@@H](CC#N)c3ccccc3)sc3c2CCOC3)cc1 484056155 JQSLOFPSANNQRD-HXUWFJFHSA-N 444.556 5.386 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCCCCC(=O)C3)s2)c(C(F)(F)F)c1 485800089 FQZPEWFURGQPEX-HNNXBMFYSA-N 435.471 5.102 30 20 IKED Cc1nc(NC(=O)c2ccc(C3(C#N)CC3)cc2)sc1Cc1ccc(F)c(F)c1F 487633799 LUAGZCKMULYWHE-UHFFFAOYSA-N 427.451 5.267 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCOc2ccc(Cl)c(Cl)c2)cc1 487871310 ITHXFAHRLAJHCH-UHFFFAOYSA-N 431.241 5.225 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1ccc(C)cc1 489613202 GVCJBPHVUCAWOJ-GOSISDBHSA-N 449.555 5.006 30 20 IKED N#CC1CCC(CNC(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)CC1 490321070 IIYVAOFICLBDSL-XWEVFREBSA-N 425.960 5.227 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)c1cccs1 493705712 JXPLOGDYAGWYOS-PXNSSMCTSA-N 449.601 5.039 30 20 IKED COCC[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(C)o1 498396184 KPDQSMHFOVZVSY-HSZRJFAPSA-N 435.499 5.088 30 20 IKED N#C[C@H](NC(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1c(Cl)cccc1Cl 499816691 NAPYAEZKELYPGP-IBGZPJMESA-N 430.335 5.507 30 20 IKED N#C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1c(Cl)cccc1Cl 499858679 DRVDXDLLRMWGTH-CQSZACIVSA-N 433.276 5.020 30 20 IKED CC(C)n1ncc2c(C(=O)N[C@@H](C#N)c3ccccc3Cl)cc(-c3cccs3)nc21 499934180 RJOZSRLVZRWIQZ-IBGZPJMESA-N 435.940 5.389 30 20 IKED C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CC=C(c2ccc(C#N)cc2)CC1 502553135 JTOHGBVFHZZGKQ-AWEZNQCLSA-N 425.319 5.765 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCOc2c(Br)cccc21 505296937 CLBJTBDFUQQCEU-CZUORRHYSA-N 446.370 5.346 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)o1 505346128 VRKSQHKFGFKOSK-QGZVFWFLSA-N 426.259 5.032 30 20 IKED CCN(C(=O)N[C@@H](C)c1ccc(C#N)cc1)[C@H]1CCSc2ccc(Br)cc21 507332613 YMVNGDSKTWGLMH-LIRRHRJNSA-N 444.398 5.650 30 20 IKED C=CCn1c(SC[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)nnc1-c1ccccc1 508375200 HZEZBXNAVPAWOM-OXJNMPFZSA-N 429.973 5.015 30 20 IKED C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(c2ncccc2Cl)CC1 508896574 TZFUTAGNBHOBEE-UHFFFAOYSA-N 430.943 5.112 30 20 IKED N#C[C@H](C(=O)c1cc(F)cc2nccnc12)c1nc(-c2ccc(Cl)cc2Cl)cs1 510701563 GYDKZOLUNGWGJT-CQSZACIVSA-N 443.290 5.689 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511477131 UCKXYMWDFWZKBV-UHFFFAOYSA-N 437.503 5.126 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1 511958036 RQJYQUYRSMSPKP-UHFFFAOYSA-N 445.485 5.199 30 20 IKED N#Cc1c(NC(=O)COc2ccc3cc(Br)ccc3c2)sc2c1CCC2 514449626 CFKLEJGMKMVYSG-UHFFFAOYSA-N 427.323 5.042 30 20 IKED N#Cc1c(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)sc2c1CCCC2 514487937 IJADPSJTXOFMQR-KRWDZBQOSA-N 448.375 5.049 30 20 IKED CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 515902801 GZACOOPFTCUUDS-DYESRHJHSA-N 425.960 5.267 30 20 IKED COC(=O)c1c(F)ccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1F 516120446 IQFKBQCXYOARED-AWEZNQCLSA-N 435.430 5.173 30 20 IKED C[C@H](NC(=O)N[C@@H]1c2cc(Br)ccc2SC[C@H]1C)c1ccc(C#N)cc1 517079934 JCRWGKFNQLUFSL-NQCMUKECSA-N 430.371 5.164 30 20 IKED Cc1c(C(=O)Nc2ccccc2SCCC#N)cnn1-c1ccc(Br)cc1 517440850 ISZIGTUCGWBWOE-UHFFFAOYSA-N 441.354 5.201 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccccc1SC[C@H](C)C#N 517461942 UQAQERQDGMCRHI-GFCCVEGCSA-N 429.904 5.947 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(NC(=O)CC3CCCC3)CC2)cc1 518252938 MAHQCNCCFFJXTF-UHFFFAOYSA-N 446.551 5.043 30 20 IKED CCN(CC)[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccccc1Cl 518441906 QTXBTJMSQWEWBA-HSZRJFAPSA-N 448.954 5.212 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(NC2CCCCC2)s1 518653292 YPCXGMYCFKYSGE-CQSZACIVSA-N 447.655 5.408 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CC2)c(C)c1 518921261 PAIYBCPEUTXEQY-UHFFFAOYSA-N 439.515 5.098 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCCN(Cc4ccc(F)cc4)CC3)cc2)cc1 519053934 ZUHJAABHSWQWKY-UHFFFAOYSA-N 444.510 5.229 30 20 IKED CC(C)(C)c1nc(CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cs1 519434375 WQQHXHSMFHJZMC-UHFFFAOYSA-N 427.517 5.646 30 20 IKED N#C[C@@H](C(=O)c1oc2ccccc2c1CSc1cccs1)c1nc2ccccc2o1 520905960 AIGLQCNJURCLFE-HNNXBMFYSA-N 430.510 6.418 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccccc1SC[C@H](C)C#N 521727633 YBMPJNOOYRNBTP-CYBMUJFWSA-N 425.535 5.406 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 521838054 CUFLBNDVVCKGTA-UHFFFAOYSA-N 426.520 5.501 30 20 IKED CC[C@@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccccc1OC(F)F 522079169 LSEBNXCTINGRKY-AFMYVXGZSA-N 443.494 5.300 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)s2)cc1 524572537 FGBRXVWLKUYBJX-INIZCTEOSA-N 432.332 5.429 30 20 IKED C[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc([S@@](C)=O)cc1 533749481 NCFBBNXLNRQWBI-INCQDFKNSA-N 438.936 5.232 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)ccc1NC(=O)c1cccs1 533938945 NGDBPMCYBYZJSQ-OAHLLOKOSA-N 429.423 5.213 30 20 IKED CN1CCC(C#N)(NC(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)CC1 535685188 GPPAJFCKUPYDJY-UHFFFAOYSA-N 439.968 5.096 30 20 IKED CN1CCC[C@H](CNC(=O)c2ccccc2Oc2ccccc2C#N)[C@@H]1c1cccs1 537557191 GSHJCBHKRNHPLB-NTKDMRAZSA-N 431.561 5.225 30 20 IKED C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nnc1SCC1(C#N)CC1 537557296 KBGFGDJGOQDVTK-OWSLCNJRSA-N 426.561 5.389 30 20 IKED Cc1cc(N(CCC#N)C(=O)CN[C@H](C)c2ccc(-c3ccncc3)cc2)ccc1Cl 540437338 GDKGSFOWUNGAGG-LJQANCHMSA-N 432.955 5.308 30 20 IKED N#CCCN(C(=O)CCC(=O)N1CCCCC[C@H]1/C=C\c1cccs1)c1ccccc1 542181168 XLOWMXKOCRADFF-MBWOQUJGSA-N 435.593 5.260 30 20 IKED Cc1oc(NC(=O)CN[C@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)c(C#N)c1C 544471070 KCDXXCQKDDFNID-GFCCVEGCSA-N 428.945 5.143 30 20 IKED Cc1cc(SC2CCCCC2)ccc1NC(=O)N1CCN(c2cccc(C#N)n2)CC1 546221544 BXIBRTDJLOTIOC-UHFFFAOYSA-N 435.597 5.041 30 20 IKED N#Cc1ccc2c(c1)N(C(=O)c1cc3cc(Br)cc(Br)c3o1)CC2 550520694 SLWAJFSEPWZSCW-UHFFFAOYSA-N 446.098 5.032 30 20 IKED CCNc1ccc(C#N)cc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 552105017 CPEKMHIDTUGBHX-UHFFFAOYSA-N 429.307 5.523 30 20 IKED Cc1nc(-c2ccc(CNCc3cccc(OCc4ccccc4C#N)c3)cc2)cs1 557716389 OVMAKMBJOWGCLM-UHFFFAOYSA-N 425.557 5.859 30 20 IKED C[C@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 559054687 UUHZHSBSFKMJMZ-VGOFRKELSA-N 440.934 5.756 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 562001971 YULWBBYJMMNHIA-PBEJRMEISA-N 427.545 5.604 30 20 IKED Cc1ccccc1NC(=O)Cc1noc(-c2cccc(Oc3ccc(Cl)cc3C#N)c2)n1 577244078 VVHSXZYNEKEUIZ-UHFFFAOYSA-N 444.878 5.544 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC[C@H]1c1cccc(Br)c1 582864086 TYCZZAJBGLSNFH-QHCPKHFHSA-N 446.348 5.613 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(Cc4ccc(F)cc4)n3)n2)cc1 589019485 TZIRZVSUHXUQBB-SFHVURJKSA-N 433.533 5.795 30 20 IKED N#Cc1cc(C(=O)N2CCC(c3nc(-c4ccccc4)cs3)CC2)cnc1C(F)(F)F 590229995 XRCUEYKJRYHIKL-UHFFFAOYSA-N 442.466 5.115 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1nc2cc(F)ccc2s1 592975533 IMATZZLCEITSJY-CYBMUJFWSA-N 431.279 5.418 30 20 IKED CC(C)c1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c2cnn(C(C)C)c2n1 603623916 PIPBIVGCFBZDQP-UHFFFAOYSA-N 440.507 5.447 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)[C@H](OC)c2ccc(Cl)cc2)cc1 605915108 JRUCVYKZMZGZLX-JTSKRJEESA-N 441.959 5.052 30 20 IKED Cc1oc(-c2ccco2)nc1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609104867 QBPZBKSZMMXRSC-UHFFFAOYSA-N 431.423 5.014 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C3CCC(NC(=O)C4CCCC4)CC3)c2)cc1 609176595 SDDPGTHSWSKMAC-UHFFFAOYSA-N 431.536 5.154 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)c2C#N)C1 609325205 HIVAJMJMIOXIDT-JTQLQIEISA-N 432.427 5.066 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 609427593 NKPVCGMMUBLNBA-IRXDYDNUSA-N 436.606 5.546 30 20 IKED COc1ccc([C@H](NC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccc(F)cc2)cc1 609435085 OIOMYHMNDOHZJW-BXKMTCNYSA-N 449.551 6.140 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(Oc4ccncc4)c(Cl)c3)cn2)cc1 609620638 UXJPQRKXNWQIKZ-UHFFFAOYSA-N 442.862 5.839 30 20 IKED C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 609681993 DTVUZNROWNZTOB-GBXCKJPGSA-N 425.532 5.742 30 20 IKED N#Cc1c(NC(=O)c2oc3ccccc3c2CSCc2ccccc2)nc2n1CCS2 609814639 BGAWDDCFCSDIDR-UHFFFAOYSA-N 446.557 5.292 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(OC4CCOCC4)cc3)cc2Cl)cc1 610225340 NHQLLIXVCUKDBA-UHFFFAOYSA-N 448.906 5.814 30 20 IKED C[C@@H](c1cccc(NCc2cccc(OCc3cccc(C#N)c3)c2)c1)N1CCOCC1 610910908 HDFIGHJFPCLLNL-NRFANRHFSA-N 427.548 5.143 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3NC(=O)c3cccs3)n2)cc1 613318014 FJKMKKRBVZTVJC-GOSISDBHSA-N 443.553 5.922 30 20 IKED N#C[C@@H](C(=O)c1nn(-c2ccccc2F)c2c1CCC2)c1nc(-c2ccccc2)cs1 613392413 PWFGQQALCZDZLU-KRWDZBQOSA-N 428.492 5.114 30 20 IKED Cc1cccc(-n2nnc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2C)c1 614387837 PBFSBVMQRWFREX-HNNXBMFYSA-N 441.438 5.003 30 20 IKED O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618556473 ZPAZAGGSFZRBFG-JZXOWHBKSA-N 448.382 5.687 30 20 IKED C=CCc1cc(CNC(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc(OC)c1OC 622949876 YSTXGQWOKPLWHM-NRFANRHFSA-N 433.552 5.003 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)ccc1OCc1cscn1 642281798 RBCSFLISTCDECR-GOSISDBHSA-N 447.541 5.344 30 20 IKED CN(C(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F)c1ccccc1F 673710797 RLAIZVDXIRGVDZ-UHFFFAOYSA-N 431.311 5.326 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC2(CCOCC2)[C@@H]1C 685544061 SHAMLMHYKJKPOC-PMACEKPBSA-N 432.568 5.153 30 20 IKED N#Cc1ccc(NC(=S)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc1Cl 726482687 IIQBPZQUCZVCJG-UHFFFAOYSA-N 429.332 5.648 30 20 IKED C=CCCC(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1 726521716 OSZMTOGDWZYFHN-UHFFFAOYSA-N 447.988 5.036 30 20 IKED CC[C@H](c1ccccc1)c1nnc(S[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)o1 727690400 AEHJVICMAGTJQW-WIYYLYMNSA-N 434.565 5.347 30 20 IKED N#Cc1cccc(COc2ccc(N[C@@H](C(=O)NC3CC3)c3ccccc3)cc2Cl)c1 728062828 VUNYXANLNWULAK-XMMPIXPASA-N 431.923 5.222 30 20 IKED N#C[C@@H](C(=O)Cc1ccccc1C(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 729891588 LEMTUYHZRFSZLT-LBPRGKRZSA-N 428.357 5.753 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cc2ccccc2s1 730685128 AFWVUZWHHKLDQN-VGSWGCGISA-N 439.540 5.373 30 20 IKED CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1C 731060165 DDYLZPNPPVJEMR-INIZCTEOSA-N 447.560 5.153 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CSc1ccc(Cl)cc1 731061390 AJODUIGWKSTMHS-CQSZACIVSA-N 434.970 5.008 30 20 IKED C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)/C=C\c1ccc(Br)cc1 731340808 SIVSZTRWHDHXOW-YBEMTRGBSA-N 437.384 5.256 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 732595822 AHWNSXLPRVCUKP-JIMJEQGWSA-N 438.527 5.279 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H]2CCSc3ccc(Cl)cc32)ccc1OC 733640455 AAYTWONLIYBJKK-AEFFLSMTSA-N 445.972 5.066 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccccc2)[C@H](C)c2cccs2)c1 733805457 UENKLYUOARWFPN-DENIHFKCSA-N 433.577 5.902 30 20 IKED Cc1ncc2c(n1)CCC[C@@H]2NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 734929553 SVHNDVKDLGRFDE-CVDCTZTESA-N 431.927 5.293 30 20 IKED N#Cc1ccccc1/C=C\C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 735014672 BGROOYKHVLQFMJ-WAYWQWQTSA-N 437.286 5.164 30 20 IKED N#CCOc1ccc(Cl)cc1CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 735230751 IGICDEBDXODSPB-INIZCTEOSA-N 446.985 5.034 30 20 IKED CCc1cccc(CC)c1-n1c(-c2cccnc2)nn(CN(CC#N)C2CCCC2)c1=S 738256159 IPFIQYCETRSGLB-UHFFFAOYSA-N 446.624 5.316 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)c3ccc(F)cc3NC(=O)c3ccoc3)c2)s1 739750496 WCGBHVYCICKAKL-UHFFFAOYSA-N 445.475 5.201 30 20 IKED CN(C)c1ccc(CN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C2CC2)cc1 740482632 AWKBGTGBGAEOQG-UHFFFAOYSA-N 430.577 5.227 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(O)(c2cccc(C)c2C)CC1 742100915 UKCOGNVYBYRNTM-UHFFFAOYSA-N 433.470 5.011 30 20 IKED Cc1ccc(Cl)c(NC(=S)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1Cl 743037738 UYCANXWPUGYLSN-UHFFFAOYSA-N 446.334 6.914 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccc(N3CCCCC3)cc2)c1 744762216 YMAKUFQYGUBCIK-UHFFFAOYSA-N 449.624 5.450 30 20 IKED C=CCc1cc(/C=C(\Br)c2ncc(-c3ccc(F)cc3)o2)cc(OC)c1O 747064471 WWHGLIZVFTXUEZ-YVLHZVERSA-N 430.273 5.816 30 20 IKED COc1cc(C(=O)/C=C/c2ccccc2-c2ccccc2)ccc1S(=O)(=O)C(F)F 747067639 ZMVQHSCGTPGGDP-ACCUITESSA-N 428.456 5.255 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)CCc2nc3cc(Br)ccc3s2)n1 747196213 JAUYNTUHBHQWIQ-LBPRGKRZSA-N 434.384 5.448 30 20 IKED N#C[C@@H](C(=O)CCc1cc(Cl)ccc1Br)C(=O)Nc1ccccc1Cl 751152746 PINURANRYWCFMM-ZDUSSCGKSA-N 440.124 5.036 30 20 IKED CCOC(=O)Nc1ccc(N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1C#N 752800522 XIQGRJPWWLVSEJ-KRWDZBQOSA-N 428.492 5.552 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 755750209 HRAADNARACKURM-GMXVVIOVSA-N 441.475 5.041 30 20 IKED CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(N2CCC(OC)CC2)c(C(F)(F)F)c1 758016692 UYXLKRXZURPISR-FQEVSTJZSA-N 443.510 5.230 30 20 IKED CN1C/C(=C/c2nc3ccc(F)cc3s2)C(=O)/C(=C\c2nc3ccc(F)cc3s2)C1 761473958 JXVDMBQEOUMOCJ-QXFGSWAMSA-N 439.512 5.166 30 20 IKED Cc1nn(CC(F)(F)F)cc1C(=O)O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 763524239 WUHKCEXCPSLCPD-LBPRGKRZSA-N 434.258 5.233 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)c1ccc(Br)cc1 766623478 ROCTXTUVNLCTDN-AUUYWEPGSA-N 427.342 5.025 30 20 IKED C[C@@H](OC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)C(=O)Nc1ccccc1C#N 775236541 WSHIHOSHEPKWPH-QGZVFWFLSA-N 441.491 5.224 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(Br)cc1C(F)(F)F 776314130 OZKAVPWOLVJVRS-UHFFFAOYSA-N 448.242 5.217 30 20 IKED Cc1ncsc1/C=C/C(=O)C(c1nc2ccccc2s1)c1nc2ccccc2s1 777284970 BDSZGSQKJOVOBY-ZHACJKMWSA-N 433.583 6.085 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(-n2cnc3ccccc32)cc1 778296716 CBIMZXNWNYXYPJ-QFIPXVFZSA-N 436.515 5.111 30 20 IKED COc1cc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1OC(=O)C1CC1 783594529 UQLFWMYPOQGZLS-GOSISDBHSA-N 426.516 5.400 30 20 IKED CCCc1c(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cnn1-c1cccc(C#N)c1 784709178 LKZNKTZLQVDIFU-UHFFFAOYSA-N 444.926 5.096 30 20 IKED N#CCCCN1C(=O)CCc2cc(NCc3ccc(OCc4ccccc4F)cc3)ccc21 786826735 DTFAUQWVUBGUIR-UHFFFAOYSA-N 443.522 5.600 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 789452634 UUDDZYFHVIKIDQ-NQIIRXRSSA-N 429.605 5.696 30 20 IKED O=C(C[C@H]1SC(=Nc2ccsc2)N(CC(F)F)C1=O)Nc1cccc2ccccc12 790741262 FNQVLQOLGZAJFB-QGZVFWFLSA-N 445.516 5.127 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2sc(-c3ccccc3)cc2C#N)nc1 791526256 LCDOXZWLYUABPA-UHFFFAOYSA-N 434.521 5.210 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)s1 797566529 MQKJKZODOAVUCX-CTWPCTMYSA-N 429.630 5.262 30 20 IKED N#CCCn1cc(CNc2ccc(OCC(F)(F)F)c(Cl)c2)c(-c2ccccc2)n1 800290766 RLVLDXCZOYMZEZ-UHFFFAOYSA-N 434.849 5.670 30 20 IKED Cc1cc(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)c(C)n1-c1ccc(C#N)cc1 800543108 QKNMJXYXMQBFCC-UHFFFAOYSA-N 438.453 5.096 30 20 IKED COc1ccc(CN(C(=S)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C2CC2)c(OC)c1 800824413 IJTLQKVCSXDHKC-AWEZNQCLSA-N 429.973 5.226 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cc(C(F)(F)F)ccc1Br 806507595 SDVOYNUPLCWFFB-SNVBAGLBSA-N 428.208 5.403 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F 809128452 VTQJADJYJQAWHO-KRWDZBQOSA-N 446.347 5.074 30 20 IKED Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)OC[C@@H](C#N)Cc2cccs2)cs1 810649914 WCKIMBXUYDTGHC-OAHLLOKOSA-N 428.554 5.522 30 20 IKED Cc1cc(Br)ccc1SCC(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813212538 DMCJHRFDOMALRN-ZDUSSCGKSA-N 429.261 5.140 30 20 IKED N#Cc1cc(C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)cnc1C(F)(F)F 815475668 UHKRWFAZTBBMII-UHFFFAOYSA-N 435.405 5.029 30 20 IKED CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc(C#N)c2)NC(=O)N1Cc1ccccc1 839392607 LSMWCYNCQVMSBN-VWLOTQADSA-N 436.515 5.046 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc2c(c1)OCCO2)[n+]1ccc(C(CC)CC)cc1 839408783 VPGKNWHYRMWBNT-UHFFFAOYSA-O 439.601 5.026 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1 915088002 YKQSKRKWBUGAEM-MHZLTWQESA-N 446.506 5.591 30 20 IKED COc1ccc(C(=O)/C=C\c2ccc(/C=C\C(=O)c3ccc(OC)cc3F)cc2)c(F)c1 916141619 NIOBXLVYLVGWEI-PVRNWPCDSA-N 434.438 5.774 30 20 IKED CCCCCCNC(=O)[C@H](C#N)C(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C 916875618 FOKNDUHRDMMFNF-OAQYLSRUSA-N 445.567 5.007 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(OC2CCCC2)c(OC)c1 916907904 NTZLTRKRTQDRIK-NRFANRHFSA-N 434.536 5.103 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1sc(-c2ccc(Cl)cc2)nc1C 916923241 MWQUURYFECTTLS-MRXNPFEDSA-N 439.924 5.132 30 20 IKED Cc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cs2)cc1 916927566 LVKVFCXHJOSIEH-CQSZACIVSA-N 430.316 5.387 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(Oc2ccc(F)cc2)cc1 916940112 RZAYHTBFUPBBFS-GOSISDBHSA-N 426.806 5.372 30 20 IKED N#C[C@H](C(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)cc2)cs1 916976873 VOPOUBNQSMHYGX-GOSISDBHSA-N 440.912 5.440 30 20 IKED N#C[C@H](C(=O)/C=C/c1cc(Br)ccc1F)c1nc2ccccc2n1C(F)F 917040650 NETWWYDILMRGSK-OQHXTRMZSA-N 434.215 5.223 30 20 IKED Cc1ccsc1/C=C1/CC2(C/C(=C\c3sccc3C)C1=O)C(=O)Nc1ccccc12 917518285 YZXJWOZEAVBMFD-MJZABRMRSA-N 431.582 6.146 30 20 IKED CCCCCCCCCC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 918131099 DKPDAXDEXBUNEM-UHFFFAOYSA-N 438.410 5.162 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C)n(Cc4ccccc4)c3C)n2)cc1 920139143 NVZMVOJDDVAVDU-QHCPKHFHSA-N 441.556 5.775 30 20 IKED Cc1c(C(=O)/C=C\c2ccccc2OCc2ccccn2)nnn1-c1cccc(Cl)c1 920388408 BTLSMBOYHMAYFA-SEYXRHQNSA-N 430.895 5.099 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccccc5)no4)CCC3)cc2)C1 1785808438 AFQMEGKWMGQWRD-UHFFFAOYSA-N 427.504 5.056 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cccn4cn3)CCC2)cc1 1785842228 VKFOFSFSBXTMPJ-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc4occ(Cl)c4c3)cc2)CCC1 1790091907 DCQNYUAPVDFVKL-CYBMUJFWSA-N 428.941 5.152 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3c3ccc(OC)cc3)CCC2)cc1 1791243982 HOSPAQORDZQCIX-GLYQVZKVSA-N 432.564 5.145 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)nc4ccc(O)cc34)CCC2)cc1 1791250250 LQLNLASACCGYCP-QGZVFWFLSA-N 443.547 5.209 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccsc4)CCC3)cc2)c1 1792122966 WKDCAFKWQQFQLM-KRWDZBQOSA-N 429.545 5.437 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc(C(F)F)c2)CC1 1825402484 RBSSEPYBIFVGGE-OAQYLSRUSA-N 447.570 5.245 30 20 IKED Cc1ccc(-c2nnc(SCC(=O)Nc3sccc3C#N)n2-c2ccc(C)cc2)cc1 10263568 OOYKKQTYLNSYLG-UHFFFAOYSA-N 445.573 5.215 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cc(C)cc(C)c2)[n+]2ccccc2CC)cc1 22730230 JXJOZJHXCASIHU-UHFFFAOYSA-O 433.597 5.603 30 20 IKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccccc3SC3CCCC3)CC2)cc1 58089344 GHZDETYEJLVBKH-UHFFFAOYSA-N 434.609 5.333 30 20 IKED COc1ccc(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(OC)c1 58424554 BBPVEQMUABZBNK-QFIPXVFZSA-N 449.938 5.377 30 20 IKED N#CCc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Br)cc1 61058847 JEMINEMOAKBUTH-UHFFFAOYSA-N 434.293 5.020 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccn(Cc2ccccc2)c1=O 63805852 ROGDHGRFYSQKOJ-UHFFFAOYSA-N 435.483 5.121 30 20 IKED C=CCc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc(OC)c1OC 64715094 GZDUCFUBVYFWBA-HNNXBMFYSA-N 440.471 5.324 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCC(=O)c1ccc2ccccc2c1 117623161 ZNOZQORCBXJLEX-UHFFFAOYSA-N 435.483 5.809 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1nc(-c2ccncc2)cs1 195662805 USFPGXIGVRUHLV-HNNXBMFYSA-N 440.315 5.188 30 20 IKED C=CCOc1c(Br)cc(CNc2cc(NC(=O)CC)ccc2C)cc1OC 236808688 QGQQOPYFHJPGPM-UHFFFAOYSA-N 433.346 5.292 30 20 IKED C[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1cccc(N2CCCC2=O)c1 237456945 KFLTZCIFKSLVER-HXUWFJFHSA-N 425.532 5.115 30 20 IKED Cc1nn(-c2ccc(Br)cc2)c(C)c1CNc1cccc(OCCCC#N)c1 237705143 SRUCOKCSPASOIX-UHFFFAOYSA-N 439.357 5.546 30 20 IKED O=C(/C=C/c1ccc(-c2nc3ccccc3s2)o1)c1ccc(N2CCC(O)CC2)cc1 303635869 PRAWPVJZANMTMB-PKNBQFBNSA-N 430.529 5.414 30 20 IKED COCc1nc2cc(NC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)ccc2o1 431208151 ARYLIWNAFHZISK-UHFFFAOYSA-N 442.475 5.377 30 20 IKED C[C@H]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)[C@H]1c1ccc(C(F)(F)F)cc1 438243293 ZZHOZUSGUXVJBO-QMHKHESXSA-N 443.469 5.296 30 20 IKED Cc1ccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1OCC1CCOCC1 438260278 NUPVJOIWNQWDHQ-DNQXCXABSA-N 433.552 5.104 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C)c(C)c3)nc2)c1 439354955 INAMITODXWVEJB-UHFFFAOYSA-N 431.492 5.023 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 440337119 YHFKZBVBVAQHIS-UHFFFAOYSA-N 443.438 5.171 30 20 IKED N#C[C@H](C(=O)c1ccc(OCc2ccccn2)cc1)c1nc(-c2c(F)cccc2F)cs1 442807017 CRCDSLURHICISK-GOSISDBHSA-N 447.466 5.552 30 20 IKED Cc1ccc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1NC(=O)Nc1ccccc1 443874270 AVILZDGIVBLXGH-UHFFFAOYSA-N 438.409 5.782 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N(CCCO)[C@H]2CCc3ccccc32)cc1 444039960 OLOAYCHZTLTXSA-DEOSSOPVSA-N 427.504 5.254 30 20 IKED Cc1cccc2nc(C3CCN(C(=O)c4ccc(COc5ccccc5C#N)o4)CC3)oc12 444548154 JTKFTZHPPHVJNA-UHFFFAOYSA-N 441.487 5.200 30 20 IKED COc1ccc(CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c2ccncc2)cc1 460377203 XJZFFHUGMXFHFN-UHFFFAOYSA-N 435.483 5.601 30 20 IKED N#Cc1cccc(-c2nnc(N3CCC[C@H]3c3cccc(Cl)c3)n2C[C@@H]2CCCCO2)c1 461825782 GJWXNONESFEOHX-GOTSBHOMSA-N 447.970 5.381 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)cc1 462277045 UVZCMFSWOOOZMW-OZXSUGGESA-N 441.531 5.373 30 20 IKED N#Cc1cnc2ccc(Cl)cc2c1N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 462806862 YLTTVACZWYVWRI-HNNXBMFYSA-N 433.874 5.333 30 20 IKED C=C[C@H](C)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 465149796 LPHSHKOSHZHLPE-AWEZNQCLSA-N 447.391 5.083 30 20 IKED Cc1c(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)ccc(C(F)(F)F)c1F 467995305 SLBMTTOCYACPCD-JTQLQIEISA-N 440.384 5.648 30 20 IKED Cc1coc(-c2cccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)c2)n1 467996266 TWVYDCVSKSMJDP-UHFFFAOYSA-N 425.513 6.066 30 20 IKED CN(C(=O)c1cccc(NC(=O)c2cn(CCCC#N)c3ccccc23)c1)c1ccccc1 468951960 KYYLCQQVSQXQCK-UHFFFAOYSA-N 436.515 5.474 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1 470779319 MRCMLBJSHWVFOA-HXOBKFHXSA-N 433.533 5.714 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](c2ccc(C)cc2)c2ccccn2)cc1 471249899 NIJSRDFJZDPSCB-VWLOTQADSA-N 440.547 5.115 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1)c1nc(-c2ccncc2)cs1 473933555 SGOWYGMWCJYQMI-GOSISDBHSA-N 449.894 6.280 30 20 IKED COc1ccc(C[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)c2ccccc2)cc1OC 475584644 IILYVBUEBDDCQQ-HSZRJFAPSA-N 428.532 5.219 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 479888955 QUEXCOFOVZVWDJ-UHFFFAOYSA-N 447.485 5.023 30 20 IKED Cc1ccc([C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1[N+](=O)[O-] 488036272 ACRUHIZDHNQJEA-QGZVFWFLSA-N 431.517 5.558 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nnc1-c1ccccc1C 488925208 JGUYIRYBLPDMAV-MSOLQXFVSA-N 446.576 5.544 30 20 IKED C[C@]12CCN(C(=O)N[C@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)C[C@@H]1C2(F)F 490175850 IDMVPFGHARQBGN-IPYPFGDCSA-N 430.339 5.386 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(OC)c(OC2CCCC2)c1 492402263 SHSULYXNCPCRFH-UHFFFAOYSA-N 440.588 5.082 30 20 IKED C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 493472913 MWGXBIBJUXHMKO-ZDUSSCGKSA-N 444.582 5.208 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(COC2CCOCC2)c1 494527703 CHUZWTBSPFBTPU-UHFFFAOYSA-N 443.503 5.002 30 20 IKED N#Cc1ccc(CN(C(=O)c2oc3ccccc3c2CSc2ncccn2)C2CC2)cc1 499273939 VFXATOHZMRNABG-UHFFFAOYSA-N 440.528 5.192 30 20 IKED CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)CCC(=O)N(CCC#N)c1ccccc1 499693022 NYUVTIKHXHHBFF-XMMPIXPASA-N 425.960 5.223 30 20 IKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@H](C#N)c1ccccc1Cl 499926607 HKKGRQZVWFUMRT-LJQANCHMSA-N 447.753 5.373 30 20 IKED CCCC(=O)Nc1cccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1 502080202 VKOUJCPYHZWIRK-UHFFFAOYSA-N 429.524 5.072 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3cccc(COCC(F)(F)C(F)F)c3)CC2)cc1 503641583 GDHRXZWKHWNOMN-UHFFFAOYSA-N 447.432 5.296 30 20 IKED COCCSc1ccc([C@H](C)NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 504743361 VSXMGDJHVAKQRR-IBGZPJMESA-N 446.572 5.367 30 20 IKED N#CCCn1cc(CNc2cnn(-c3ccccc3Br)c2)c(-c2ccccc2)n1 507866451 ZGYRVOOLNIJOET-UHFFFAOYSA-N 447.340 5.024 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)cc1 507875002 SIZKXJTZZVZWPR-OAQYLSRUSA-N 449.919 5.446 30 20 IKED C=CCN(C(=O)c1cc(C)nc2c1cnn2[C@@H](C)CC)c1nc(-c2ccccc2)cs1 508891094 AQPQPWZJWDZZPT-KRWDZBQOSA-N 431.565 5.667 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H]1Cc1ccc(F)cc1 510856724 HSMOEWWZMMMZJX-QFIPXVFZSA-N 429.495 6.037 30 20 IKED Cc1ccc(OCc2cccc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)c2)cn1 511424178 QBBQXIHNDAGJAY-NRFANRHFSA-N 426.303 5.271 30 20 IKED N#C[C@@H](C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cn1 513159665 ISOWPMFMGGDJAS-QGZVFWFLSA-N 440.381 5.111 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 513209879 HLQBGNCNHRIWCG-HNNXBMFYSA-N 447.413 5.352 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)c1nc2ccccc2[nH]1 513681523 DQKNTUCDWDIJSE-MRXNPFEDSA-N 427.851 5.152 30 20 IKED COc1cc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)ccc1OC(F)F 517903358 JHBVAUSKBGMQKA-UHFFFAOYSA-N 439.418 5.282 30 20 IKED CCN(Cc1ccc(OC)cc1OC)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 517905478 FBRCWYXAFDSGBE-UHFFFAOYSA-N 431.492 5.422 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(NC(=O)C4CCCCC4)CC3)cc2)c1 518259069 CRPQSQPNBBISPA-UHFFFAOYSA-N 446.551 5.043 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3nc4ccccc4oc3=O)cc2Cl)cc1 518323175 RLYNSEZAHYGQFW-UHFFFAOYSA-N 445.862 5.077 30 20 IKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 518739005 JSWXEEJYHZHFKB-ZDUSSCGKSA-N 427.982 6.419 30 20 IKED N#Cc1ccccc1N1CCCN(C(=O)Nc2ccccc2Oc2cccc(F)c2)CC1 519031308 YGXQHSDZSQQJME-UHFFFAOYSA-N 430.483 5.234 30 20 IKED FC(F)c1nnc(N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)s1 519789539 NBHOTOAESJDSAM-JTQLQIEISA-N 433.324 5.091 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cnn(-c4ccccn4)c3C(F)(F)F)cc2)cc1 519979072 JFRNKQHGTDZPKJ-UHFFFAOYSA-N 449.392 5.202 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCCC[C@H]3c3ccccc3)cc2)cc1 520005745 XOEJVZNJPZEEKM-DQEYMECFSA-N 439.515 5.132 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCc1nc(Cc2cccc(Br)c2)no1 520225753 PJBNQLWILMRUEH-AWEZNQCLSA-N 443.370 5.429 30 20 IKED Cc1cc(F)ccc1N(Cc1ccco1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 520323136 UFWYORZCBLJIHW-UHFFFAOYSA-N 427.435 5.633 30 20 IKED Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 520369225 HTLXVKQMAHZJAU-CTXDPNEZSA-N 445.498 5.166 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC1(c2ccccc2Cl)CCOCC1 521811584 MMRSTMCMKRTQIA-KRWDZBQOSA-N 444.000 5.604 30 20 IKED COCc1cccc2sc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)nc12 522303670 QDQRJATYICTLTP-UHFFFAOYSA-N 429.501 5.146 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(Sc4nncs4)cc3)c2)cc1 522312274 PXYGFPDTKYJIRJ-UHFFFAOYSA-N 444.541 5.392 30 20 IKED C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 522456239 MTHJFJPBNXGGHD-RDPSFJRHSA-N 425.532 5.742 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ncc(C)c(OC)c1C 522828136 VXZPGOXPDNYFKX-UHFFFAOYSA-N 430.961 5.009 30 20 IKED COc1cccc(NC2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)c1 523011913 DCLAUZFBGMBPOP-UHFFFAOYSA-N 442.519 5.468 30 20 IKED N#Cc1ccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1C(F)(F)F 525742150 BWAFMXNYEHKZCF-CQSZACIVSA-N 430.455 5.598 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@H](C4CCOCC4)C3)cc2Cl)c1 533170574 LBYKXXOKAGQHGI-FQEVSTJZSA-N 439.943 5.071 30 20 IKED O=C(Nc1cccc(C#Cc2ccccn2)c1)Nc1cccc2c1CN(c1ccccn1)C2 533856324 KXPAXDCRZZQZAV-UHFFFAOYSA-N 431.499 5.041 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(CN(Cc2ccc(C#N)cc2)C(C)C)cs1 534463245 WEDWAJYEYUGHJO-UHFFFAOYSA-N 438.984 5.763 30 20 IKED COCCOc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccn1 538579684 WOMSKSIGFAGFIS-HNNXBMFYSA-N 448.331 5.027 30 20 IKED Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 542025941 JRLQAEOOYAHPFS-HSZRJFAPSA-N 429.524 5.840 30 20 IKED Cc1ccc(CC(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)cn1 542161230 VYFZEFQMVFQDKG-OAHLLOKOSA-N 444.297 5.390 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1 543495386 XVHWDWZXVCIYDJ-DVECYGJZSA-N 434.442 5.279 30 20 IKED C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CC(C)(C)OC2(CCCC2)C1 549265446 AJIKJRQUNKUVTL-UHFFFAOYSA-N 442.629 5.083 30 20 IKED Cc1nc2ccccc2n1CCCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 553665430 YPCJFDMVXBYWCY-UHFFFAOYSA-N 425.492 5.221 30 20 IKED Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 560589654 LMLZFCQZMCDQIZ-UHFFFAOYSA-N 431.448 5.283 30 20 IKED CC(C)(C)Oc1c(F)cc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1F 560622050 AMICICQMLNEIEN-UHFFFAOYSA-N 431.458 5.008 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 564161877 UWQXFSZJACTNKN-BGYRXZFFSA-N 445.485 6.031 30 20 IKED N#Cc1cc(NC(=O)N2CCC(c3cccc(F)c3F)CC2)ccc1OCC(F)(F)F 565750195 WFYIRSFIWQUPMU-UHFFFAOYSA-N 439.384 5.189 30 20 IKED COc1ccc(Cc2noc(-c3cn(CCCC#N)c4ccccc34)n2)cc1OC(F)F 567513228 FPHLQUSRWXPJGS-UHFFFAOYSA-N 438.434 5.196 30 20 IKED C[C@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccc(Oc2cccnc2)cc1 570880280 UEOMZLUJJAKXPH-IBGZPJMESA-N 437.503 5.142 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCC(=O)c4ccccc43)cc2Cl)c1 572495969 UVICJNORXBCORP-NRFANRHFSA-N 430.891 5.489 30 20 IKED C=CCN(C(=O)C1CCN(c2nc3ccccc3s2)CC1)c1nc2c(s1)CCCC2 589290124 XTJNQABEPILTNR-UHFFFAOYSA-N 438.622 5.067 30 20 IKED Cc1cc(-c2cc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c3c(C)noc3n2)c(C)o1 592974093 NKSYPWJRIQMURF-INIZCTEOSA-N 446.463 5.647 30 20 IKED Cc1ccc(C)c(C(=O)c2ccccc2C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c1 592974799 ZNZNWKFGCLKRRC-FQEVSTJZSA-N 428.488 5.773 30 20 IKED Cc1nc(SCC(=O)N(c2ccccc2)c2nc3ccccc3s2)c(C#N)c(C)c1C 603578510 GLNPRXHTSNPFII-UHFFFAOYSA-N 444.585 5.945 30 20 IKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@@H](C)c1ccc(C#N)cc1 603737622 UMTUGOAYRJXEIG-ZDUSSCGKSA-N 427.335 5.088 30 20 IKED Cc1cc(C)cc(Oc2ccc(NC(=O)CCc3c(C)nc4c(C#N)cnn4c3C)cc2)c1 604016381 XONQUAVERPFYKA-UHFFFAOYSA-N 439.519 5.198 30 20 IKED C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc2c(c1)CCC(=O)N2 609208762 DLERBRYGYIUJOM-INIZCTEOSA-N 426.476 5.118 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1 609228260 LTQWNDZRFBQKAD-UHFFFAOYSA-N 428.357 5.019 30 20 IKED N#Cc1ccc(NC(=O)N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)cc1 609443026 CGAGEUSJJOHRIP-DEOSSOPVSA-N 445.567 5.279 30 20 IKED C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c2cc(Cl)ccc2S1 609501587 ZPQZDZCAGYIEPN-HNNXBMFYSA-N 435.936 5.930 30 20 IKED Cc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1Oc1ccncc1 609642813 TZEGQIAQBVAXGX-UHFFFAOYSA-N 449.510 6.080 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(Cl)c1Cl 609813048 RAJVSHCIAXCDNT-OLZOCXBDSA-N 436.364 5.061 30 20 IKED COc1ccccc1[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 615860667 DWKAPNSWIHFKAM-HSZRJFAPSA-N 446.551 5.037 30 20 IKED C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccccc1 619818690 JSQSEXYBKZDRBG-UUOWRZLLSA-N 435.959 5.250 30 20 IKED O=C(NCc1cccc(C(F)(F)F)c1)Nc1ccc(OC(F)F)cc1OC(F)F 642678557 SSZPFJQPCQPFAZ-UHFFFAOYSA-N 426.288 5.230 30 20 IKED C=CCn1c(-c2cc3ccccc3o2)nnc1N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 669818248 GQFAQXAHHCRJRZ-BETUJISGSA-N 430.352 5.054 30 20 IKED C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC(c2ccc(F)c(F)c2)CC1 670200666 GEYCSINALZPGIW-UHFFFAOYSA-N 438.522 5.233 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC(OCC)CC1 670204757 XCNBAQISGHWBEP-UHFFFAOYSA-N 432.568 5.106 30 20 IKED O=C(Cc1nc(-c2ccc(F)cc2)cs1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 681245976 OKNMVFIIOJALGY-TXEJJXNPSA-N 440.384 5.081 30 20 IKED CCCCCCCCCC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 726150561 CJWQESNRBXLSRF-UHFFFAOYSA-N 437.422 5.767 30 20 IKED N#C[C@H](C(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1nc(-c2ccccc2)cs1 726321470 IHELIAABKXWCEY-QGZVFWFLSA-N 440.484 5.415 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cn(C)c3ccccc23)cs1 726740283 AWQFGHSXCZDLMA-FMIVXFBMSA-N 435.936 5.869 30 20 IKED C#CC[C@H](OC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1)c1ccccn1 727775237 CVAIYVRUIJOWJY-VWLOTQADSA-N 448.482 5.056 30 20 IKED N#CCSc1ccccc1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 728208814 UJEZWIJLZKIADZ-UHFFFAOYSA-N 442.519 5.224 30 20 IKED Cc1cc(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)c(C)n1-c1ccc(C#N)cc1 728269049 ZHCDJAAJVAPZOV-UHFFFAOYSA-N 437.547 5.586 30 20 IKED Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 728271806 BTCFEZPDEFJNBI-UHFFFAOYSA-N 444.604 5.075 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1F 728392629 JOAYIRQTRQUMJR-UHFFFAOYSA-N 437.446 5.088 30 20 IKED O=C(O)c1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)s1 730590829 ZKDWTDMMFAMNMX-DAXSKMNVSA-N 446.311 5.902 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2ccc(OCc3occc3C(=O)O)cc2)S1 730951017 ITWUFESEJYAOQY-UDWIEESQSA-N 448.500 5.065 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1C=O 730953911 YYAFWBBYLKRLEU-SFHVURJKSA-N 430.529 5.578 30 20 IKED CC(=NNc1ccc(Br)cc1C(F)(F)F)c1ccc(N2CCOC2=O)cc1 731486837 DVHCHOSTHCLTND-UHFFFAOYSA-N 442.235 5.261 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2sc(-c3ccc(Cl)s3)nc2C)c1 733771534 NVQNAIBVWAVVQH-CQSZACIVSA-N 431.970 5.444 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)c1 733807964 XOWUTMBHPIIYRX-QFIPXVFZSA-N 435.474 5.235 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)cc2)[n+]2cccc(O)c2Cl)c1 735667245 SKTLFLIANZPTFT-UHFFFAOYSA-O 442.347 5.291 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@H](C)[C@@H]2c2ccc(C)cc2)ccc1OC 739026598 WZLIONKNOCTILI-OPJGWUQDSA-N 435.568 5.367 30 20 IKED C[C@@H](c1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1)N1CCOCC1 740454726 XGWTTZGOAQZZCU-SFHVURJKSA-N 446.576 5.002 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)cc1 741178488 HRCLQKSBZWDCQG-FDFHNCONSA-N 436.433 5.983 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)cc1 741431997 VYTOYBXLVOIKOS-NDSDBLNTSA-N 444.453 5.550 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1 741556097 PWUAXQJGPTWAJK-UHFFFAOYSA-N 439.519 5.074 30 20 IKED CS(=O)(=O)c1ccc(C(=O)/C=C\c2ccc(-c3cccc(Br)c3)o2)cc1F 741841140 KOLAFVCSGDSTSS-VURMDHGXSA-N 449.297 5.148 30 20 IKED Cc1nnc(-c2ccc(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)cc2)o1 741944935 WBQZSCBOELAUMN-UHFFFAOYSA-N 430.851 5.615 30 20 IKED CC(C)(C)c1ccc(-c2nn(CN3CCOC[C@H]3C#N)c(=S)n2C2CCCCC2)cc1 742167284 DAUUPSGENBWJGI-OAQYLSRUSA-N 439.629 5.066 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/C(=O)c3ccsc3S[C@H]2C)cs1 742438104 ZRQOTNQUKVTVET-SGPNVBEDSA-N 426.588 5.958 30 20 IKED C[C@H](c1ccc(Cl)c(Cl)c1)N(C)CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 746137862 RRDYPJUKLRYBHY-CJNGLKHVSA-N 425.319 5.223 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)cc1OC 748199078 NYJYOCNUWJHIRS-PEZBUJJGSA-N 442.515 5.473 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc(C(=O)OC)o1)C(=O)c1ccccc1 749453020 PRCCWBWQDLJWLJ-LTGZKZEYSA-N 431.488 5.096 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCCCC[C@@H]3C[C@@H](O)c3ccccc3)cc2)nc1 752115010 XHDCNUPUFDUVJT-ILBGXUMGSA-N 441.531 5.254 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)cc1 752340410 RSKKLBRHSNYPJJ-UYAOXDASSA-N 449.551 5.034 30 20 IKED CC(C)C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)N1CCCCC1=O 756232037 PLKLJGYIGIZFCW-PKOBYXMFSA-N 429.973 5.067 30 20 IKED Cc1sc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1-c1ccc(F)cc1 756232604 VBINAVXKFLNUFE-MRXNPFEDSA-N 430.863 5.616 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(N(C)C(=O)OC(C)(C)C)CC2)cc1 756933095 WKOSOELOCLHALY-UHFFFAOYSA-N 449.551 5.131 30 20 IKED CC[C@H](Cc1ccccc1Br)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 757876554 XQVCHYYCYZDFDZ-HIFRSBDPSA-N 446.295 5.639 30 20 IKED C=CCn1c(SC[C@@H](O)c2ccc(Cl)cc2Cl)nnc1-c1ccccc1OC 759065319 RRPQIPGWRPKRSI-QGZVFWFLSA-N 436.364 5.272 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2cccs2)Cc2ccccc2OC)c1 760172269 YSNSKBNVVXQSHA-NRFANRHFSA-N 449.576 5.350 30 20 IKED COc1ccc(C(=O)CC(C)(C)CC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1 760195762 JEIWFLUBRVHWAS-HXUWFJFHSA-N 432.545 5.684 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ncccc1C(F)(F)F 765556772 NVGPUWNAFGHJPE-UHFFFAOYSA-N 448.857 5.383 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1 767951083 WVGVXBNVSXVZCP-GOSISDBHSA-N 446.551 5.783 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3C[C@@H](O)c3ccc(F)cc3)cc2)c1 773274145 JMOMGDIGPGDCRC-WIOPSUGQSA-N 445.494 5.610 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)O[C@@H]([C@H]2CCOC2)C(F)(F)F)cc1Cl 778035551 AJYOCLSKRKJCGV-KSSFIOAISA-N 425.790 5.128 30 20 IKED C=CCC[C@H](C(=O)O[C@@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C)c1ccccc1 778551799 JGTJNHKSUWJJSP-REWPJTCUSA-N 431.536 5.109 30 20 IKED C=CCC[C@H](C(=O)Nc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1)c1ccccc1 779057044 LBYYGDODQXYFID-QFIPXVFZSA-N 438.572 5.144 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 780168412 DIXAVZUMJNLUKC-OYHNWAKOSA-N 440.927 6.242 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)CC2 782572087 AAJNRNHGWAINAB-BZSNNMDCSA-N 444.601 5.087 30 20 IKED CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 784429188 SPALPPOFMVGLHT-AHKZPQOWSA-N 427.548 5.537 30 20 IKED N#CCCn1cc(/C=C\C(=O)c2ccc(-c3ccc(F)cc3)s2)c(-c2ccncc2)n1 788349064 IKHMQZLDSFZNNJ-DAXSKMNVSA-N 428.492 5.622 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3ccc(N4CCc5sccc5C4)cc3)on2)c1 789917514 RKVGQIGYNORFJM-UHFFFAOYSA-N 426.501 5.090 30 20 IKED CN(CC(=O)[C@@H](C#N)c1nc2ccccc2s1)Cc1ccc(Br)cc1Cl 792416716 ZGFPSSNNORRKDH-CQSZACIVSA-N 448.773 5.020 30 20 IKED C[C@@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1ccc(N(C)Cc2ccccn2)c(F)c1 796723453 BRVHFBMVZKWWID-DENIHFKCSA-N 431.511 5.549 30 20 IKED C[C@@H](Cc1cncc2ccccc12)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 805856315 XNGOPWCRSUVUCE-BTYIYWSLSA-N 431.948 6.067 30 20 IKED C=CCn1c(SCC(=O)c2ccc(C(F)(F)F)nc2Cl)nnc1-c1cccs1 809960192 WFVIWRVNYQRTOA-UHFFFAOYSA-N 444.891 5.235 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2nc3ccc(Cl)nc3s2)cc1 819569458 OEAJXHHWQBFFJN-UHFFFAOYSA-N 436.949 5.761 30 20 IKED C=CCn1c(SC[C@@H](O)c2ccc(F)cc2)nc2scc(-c3ccccc3)c2c1=O 819965117 STRITWNIXRPIIO-LJQANCHMSA-N 438.549 5.276 30 20 IKED COc1cc(C=NOCc2ccc(C(=O)Nc3ccccc3)cc2)ccc1OC(F)F 849983259 ASDGHASHBYXBDM-UHFFFAOYSA-N 426.419 5.100 30 20 IKED Cc1noc(C)c1COc1ccc(CC(=O)N(O)Cc2cc(Cl)cc(Cl)c2)cc1 901380068 WNRFOVKLNSDUHV-UHFFFAOYSA-N 435.307 5.138 30 20 IKED N#CCc1ccsc1-c1nc(-c2cc(Br)cc(Br)c2)no1 904919740 POTUYUJIIPBWQQ-UHFFFAOYSA-N 425.105 5.056 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(SC(F)(F)F)cc1 914743739 HZZLYXWJFVVDFO-NXEZZACHSA-N 439.343 5.938 30 20 IKED C=CCc1cc(C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)cc(OC)c1OC 914769673 IQPXETMLFRQHOR-UHFFFAOYSA-N 430.476 5.171 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(CC(C)C)C2=O)c1 916206015 NMDSDDJVJGEDPB-HXUWFJFHSA-N 427.545 5.059 30 20 IKED C(=NNc1nc(-c2ccccc2)cs1)c1sc(N2CCOCC2)nc1-c1ccccc1 916545664 SSGODVBBFPGFEZ-UHFFFAOYSA-N 447.589 5.216 30 20 IKED Cc1ccc(CCC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1Cl 916847693 UCBOANPOSUPFDN-OAHLLOKOSA-N 425.941 5.047 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1Cl 916910450 HIJIQPLDWZAMEY-HXUWFJFHSA-N 430.891 5.317 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2cc(Br)cs2)n1)c1nc2ccccc2o1 917510175 VBLOEVUXULTUKQ-GFCCVEGCSA-N 444.335 5.194 30 20 IKED CC(=O)N(c1nc(C=NN[C@@H](C)c2ccc(C(C)C)cc2)cs1)c1ccc(F)cc1F 917553264 YWGWUBDUIICQLE-HNNXBMFYSA-N 442.535 5.914 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 920102193 RJDUILPYDUQMIL-HSZRJFAPSA-N 448.478 6.007 30 20 IKED N#C[C@@H](C(=O)Cn1ccc2ccc(Cl)cc21)c1nc2cc(C(F)(F)F)ccc2s1 920113314 VEPKMACZAMGAKS-AWEZNQCLSA-N 433.842 5.800 30 20 IKED Cc1oc(-c2ccccc2)nc1CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920804772 YVWAWMUUZSLWCZ-OAHLLOKOSA-N 435.455 5.471 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@@H]4c4ccc(F)c(F)c4)CCC3)cc2)C1 1785805098 ZJBLIUSKXXVXKM-NHCUHLMSSA-N 436.502 5.169 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)COc3cccc(Cl)c3)cc2)CCC1 1785993909 XGLGXWYRFFMYIA-UHFFFAOYSA-N 448.897 5.064 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(F)cnc3Cl)cc2)CCC1 1789716097 IRIKDEMSHTWEOA-IBGZPJMESA-N 441.934 5.390 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4nc(C)sc34)CCC2)cc1 1791247658 DSKDEOJVTJGFTB-MRXNPFEDSA-N 433.577 5.565 30 20 IKED CC1(C)CC(C(=O)Nc2ccc(C3(NC(=O)CCc4cccc(C#N)c4)CCC3)cc2)C1 1791645771 OXMCBWMVXYZZPL-UHFFFAOYSA-N 429.564 5.061 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4sc(C)nc4c3)CCC2)cc1 1791727330 DTBNTEINNIXGNI-UHFFFAOYSA-N 445.588 5.546 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)n[nH]1 1818931948 XQFCVBVJGJYZNL-SOAMZJECSA-N 448.558 5.220 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)noc2CCC)CC1 1823752741 XXRVVDCOCZYXKJ-NRFANRHFSA-N 443.632 5.161 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CSC2CCCC2)CC1 1824478636 LUBHCPARZXMKJR-XZOQPEGZSA-N 432.674 5.050 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(C)cccc3[nH]2)CC1 1828575413 IUTSQWGHQDTBIN-SANMLTNESA-N 447.623 5.478 30 20 IKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)CC1 1830422278 UWMNPZXIRABMKO-DEOSSOPVSA-N 446.676 5.195 30 20 IKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830493946 PSQKHRYDSDKYPU-VWLOTQADSA-N 432.564 5.288 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1831371651 XZVPILYSWJTVAP-HXOBKFHXSA-N 442.003 5.267 30 20 IKED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCCC(C)(C)C)CC1 1831577246 FXVJCOQFUWXTEI-PKTZIBPZSA-N 448.692 5.176 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2[nH]c(C)c(C(C)=O)c2C)[n+]2ccc(CC)cc2)cc1 10173460 BVFVKKHNCBWKRU-UHFFFAOYSA-O 448.612 5.297 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccccc2CC)cc1 10173970 ITCPFRFLVZQASE-UHFFFAOYSA-O 445.608 5.475 30 20 IKED COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1ccccc1Sc1ccccc1C#N 15806202 VWGMCFKGEPFVLV-KRWDZBQOSA-N 446.528 5.211 30 20 IKED CCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 16001370 NWZGEZRSMYXCLB-UHFFFAOYSA-N 429.545 5.444 30 20 IKED COc1ccc(CN/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(C)c2)cc1 22692935 AJYNKVUBXFVPKN-UHFFFAOYSA-O 433.597 5.143 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1 71943105 RKSUMSSDAMPJSO-UHFFFAOYSA-N 435.858 5.540 30 20 IKED N#CCCN(C(=O)CCC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 110940682 AUVIZVXNYJFBNB-AREMUKBSSA-N 445.950 5.273 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2nc3ccccc3s2)s1)c1nc(-c2ccncc2)cs1 195662491 GFNPKAQCBJBAIC-AWEZNQCLSA-N 444.566 6.033 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc2c(c1)nc(C(F)F)n2C 409651414 XMGFILQENFMGRX-UHFFFAOYSA-N 446.457 5.522 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)[C@H](Oc2ccc(F)cc2Cl)c2ccccc2)cc1 409817103 NPTNMVBUHAQUOM-JOCHJYFZSA-N 438.886 5.154 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)nn1-c1ccc(Br)cc1 430599863 BKUTZXDESQUFLL-OAHLLOKOSA-N 443.370 5.187 30 20 IKED C[C@H](Cc1cc(Br)ccc1F)NC(=O)N[C@@H](CCCC#N)c1ccccc1 431451301 IRLDSDXCSKXHAP-QRWLVFNGSA-N 432.337 5.254 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(OCC(F)(F)F)c1 432645375 WNGFLEBVWFTOML-UHFFFAOYSA-N 427.382 5.247 30 20 IKED CN(Cc1cc(F)cc(F)c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 434143475 HHLNRYFAGBOEMJ-UHFFFAOYSA-N 425.410 5.218 30 20 IKED CC(=O)CCc1ccc(OCCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 437476203 VMVRENDWJWZWLJ-UHFFFAOYSA-N 446.478 5.419 30 20 IKED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](c1cccc(SC)c1)c1cc(F)ccc1F 438052658 JGFNGPICKYDPCI-HVETUWLQSA-N 432.536 5.057 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 439531458 VNVOASIGGSAYQY-HKARXFIJSA-N 429.586 5.057 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1 439694041 VGTJKLOPBFQGKM-AWEZNQCLSA-N 436.899 5.325 30 20 IKED N#Cc1ccc(NC(=O)C(=O)Nc2cccc(Sc3ccc(Cl)cc3)c2)c(F)c1 441744255 XIXMXJVXTDZHMS-UHFFFAOYSA-N 425.872 5.079 30 20 IKED N#Cc1cc(S(=O)(=O)Nc2ccccc2COCc2ccccc2)ccc1C(F)(F)F 443410025 YYSSNQBNEDJYNC-UHFFFAOYSA-N 446.450 5.095 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)cc1C 465463796 BTUKATMZHZNYSK-NRFANRHFSA-N 441.579 5.172 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(F)cc(F)c3Br)cc2)nc1 468280395 HEKNAAALBOPHKN-UHFFFAOYSA-N 430.208 5.039 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nn(-c2c(F)cccc2F)cc1C 468927932 ITJCZWNQWCOZSS-UHFFFAOYSA-N 445.429 5.079 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@@H](c3ccc(Cl)cc3)C3CC3)ccc21 470540672 BCCMEQVYEDPIGP-HSZRJFAPSA-N 436.943 5.196 30 20 IKED N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 470732394 JBYZXTZALQGGOF-MRXNPFEDSA-N 441.343 5.233 30 20 IKED Cc1cc(C(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)n1 474274285 NIAXNWHYHVKTFV-GFCCVEGCSA-N 445.285 5.246 30 20 IKED CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)C[C@@H](CC#N)c2ccccc2)c1 474592645 IGOSQICCHQBLHJ-QFQXNSOFSA-N 439.559 5.822 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(C)c(S(=O)(=O)N(CC)CC)c1 476080231 NRPAVNAUDFPBKP-UHFFFAOYSA-N 428.598 5.130 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C 476138613 HZFHXPPGAKBKIY-UHFFFAOYSA-N 436.552 6.552 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N(C)Cc2cccc(F)c2)nnc1-c1cccc(Cl)c1 481372479 LRQMABONABICLE-OAHLLOKOSA-N 444.963 5.063 30 20 IKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nccc4ccccc34)cc(-c3cccs3)nc21 483196150 KXMDRHFBBLDDQN-LJQANCHMSA-N 437.528 5.779 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)NCc3ccc(Oc4cccnc4)c(F)c3)c2)cc1 483375133 ICVJPXPSCBEDPF-UHFFFAOYSA-N 439.446 5.607 30 20 IKED CCN(C(=O)c1cc(NC(=O)CCCCOc2cccc(C#N)c2)ccc1Cl)C(C)C 487693184 JPXXENZIWVBKAD-UHFFFAOYSA-N 441.959 5.270 30 20 IKED CC(=O)N(c1nc(COc2c(C#N)cnc3ccc(C)cc23)cs1)c1ccc(C)cc1C 488284192 VAFBVYOEWUSSIP-UHFFFAOYSA-N 442.544 5.752 30 20 IKED COc1cccc(COc2cccc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)c2C)c1 489955069 HOYOQPQAWXPPKK-UHFFFAOYSA-N 441.409 5.120 30 20 IKED CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 490720534 PIEGNNCGRAEUOK-OAHLLOKOSA-N 444.463 5.578 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1 490769398 NSITWVQCRGNDGQ-DEOSSOPVSA-N 433.552 5.005 30 20 IKED CC(C)OCCOCc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 498801385 ZUXIRHSTLLCHNQ-UHFFFAOYSA-N 446.572 5.903 30 20 IKED CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc2C1 501684274 AAYLQBOPSFWDPZ-HXUWFJFHSA-N 449.620 5.262 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@@H](c4nc5ccc(F)cc5o4)C3)o2)cc1 502122896 NRHCRTYSVOYQHZ-QGZVFWFLSA-N 445.450 5.030 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3csc(-c4ncccc4F)n3)cc2F)c1 507267305 XJNCFQDVNYZUNJ-UHFFFAOYSA-N 448.454 5.186 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 510077585 DCKBPMDXRDOJDH-SUMWQHHRSA-N 425.451 6.035 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(COc3ccccc3)CC2)cc1 510696784 FGUSYZPOYLBFSC-UHFFFAOYSA-N 427.504 5.673 30 20 IKED CN(C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@@H]1CCc2ccccc21 517151490 MXMAFBBCONPTTD-ISKFKSNPSA-N 443.934 5.080 30 20 IKED Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 518067234 ROZNAHCCRODPPH-HTAPYJJXSA-N 431.923 5.120 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1 518320693 VBNHMWDCNWVWER-SFHVURJKSA-N 430.360 5.657 30 20 IKED N#Cc1cc(Oc2ccc(NCc3ncc(-c4ccccc4Br)o3)cc2)ccn1 518451988 XEIVRUAOHPNYHA-UHFFFAOYSA-N 447.292 5.775 30 20 IKED Cc1cc(COc2ccc(C(=O)Nc3ccc(C#N)c(Cl)c3)cc2Br)no1 519108839 HCPFSPKOYWLIOP-UHFFFAOYSA-N 446.688 5.102 30 20 IKED C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)Nc1ccccc1SC[C@H](C)C#N 519451146 RJSPUBHSOQSMLR-CABCVRRESA-N 437.487 5.546 30 20 IKED C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 519753199 GNCWAJYUQNGIGH-IBVKSMDESA-N 425.532 5.947 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1 521720603 UJURULAYXRSZGR-CQSZACIVSA-N 426.542 5.341 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(Cc1cccc2ccccc12)C1CCCC1 524390402 ISVDZXBGGDXWAV-UHFFFAOYSA-N 427.548 5.333 30 20 IKED CN1C(=O)CC[C@H](C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 524526575 NNUXSQJBHLITID-PZJWPPBQSA-N 443.469 5.055 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@@H]1c1nc2ccccc2n1C 533525307 YZOOVUFVDSYKCJ-XMSQKQJNSA-N 447.608 5.133 30 20 IKED CCc1nc(-c2ccccc2NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)n[nH]1 533752229 RMYXSYLLCPMAOP-UHFFFAOYSA-N 427.439 5.089 30 20 IKED CN1CCC([C@H]2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2)CC1 535217184 UAYJUOUZHFNXSY-REWPJTCUSA-N 436.987 5.191 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)NCc2ccc(Sc3ccc(F)cc3)cc2)cc1 536985146 MWBGDVXPDQLCBT-UHFFFAOYSA-N 447.535 5.033 30 20 IKED Cn1cc(-c2ccc(F)c(C(=O)N[C@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)c2)cn1 543855012 VXKMWFNNQNHDKQ-QGZVFWFLSA-N 445.338 5.278 30 20 IKED C[C@@H](Oc1ccccc1C#N)c1nc(-c2ccc(NC(=O)Nc3ccccc3)cc2)no1 544057498 MMHCPDYBLQXBLI-MRXNPFEDSA-N 425.448 5.392 30 20 IKED CC(=O)N1CCc2c(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)cccc21 546012322 WPWXKQPHTHWOMM-UHFFFAOYSA-N 431.879 5.165 30 20 IKED C=CCN(C(=O)[C@H]1C[C@@H]1c1ccccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 551844759 ZOHQYLYEYMDREQ-MSOLQXFVSA-N 439.924 5.694 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccc(F)cc2OC2CCOCC2)cc1 552939793 XUWOBPUIAFXULK-UHFFFAOYSA-N 448.519 5.659 30 20 IKED COCc1nc(CNc2c(C#N)cnc3c(OC)cc(OC)cc23)c(-c2ccccc2)s1 557671802 AQHIFKUXRKEPIT-UHFFFAOYSA-N 446.532 5.006 30 20 IKED COc1ccc(CNC2(Cc3ccc(F)cc3Cl)CCOCC2)cc1OCCCC#N 559353660 WFDVADHEOZXYEE-UHFFFAOYSA-N 446.950 5.052 30 20 IKED C=CCn1c(SCc2sc(C)nc2C(F)(F)F)nnc1-c1ccc(OC)cc1 569412892 OQYWZFJSAFPGKM-UHFFFAOYSA-N 426.489 5.216 30 20 IKED Cn1cc(CN2CCc3nc(-c4ccccc4Cl)sc3C2)c(-c2ccc(C#N)cc2)n1 573998191 TTXKVATUCPYAHQ-UHFFFAOYSA-N 445.979 5.294 30 20 IKED CC(C)c1cc(CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)on1 588347865 QDAPHWVTHMGEDZ-UHFFFAOYSA-N 449.458 5.057 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 592974664 WSGCIPJYYUPPNX-NSHDSACASA-N 429.835 5.681 30 20 IKED Cc1nc(C(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)ccc1C#N 603563565 UPSWKVUOPMGKET-UHFFFAOYSA-N 428.492 5.371 30 20 IKED Cn1c(S[C@@H](C#N)Cc2ccccc2)nc2scc(-c3ccccc3Cl)c2c1=O 604071737 XTUKKNMCVDWCEF-OAHLLOKOSA-N 437.977 5.542 30 20 IKED C[C@H](NC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccc(C#N)cc1 604104506 OKKPNKOHKPYNPE-IRXDYDNUSA-N 430.483 5.071 30 20 IKED C=CCOc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 607566539 YPVYNUQMUCCPDZ-UHFFFAOYSA-N 433.335 5.049 30 20 IKED CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 608116833 NACYYXSCLFKBPK-GHMZBOCLSA-N 442.375 5.013 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCc2c(Br)cccc21 609049473 AUZRWGOTWVDKAM-OAQYLSRUSA-N 426.358 5.176 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCc1c[nH]c2cc(F)ccc12 609079197 OGXLQXUZQKJPRA-UHFFFAOYSA-N 442.494 5.430 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3Oc3cccnc3)cc2F)c1 609104975 RJFOMYLZHRUCGY-UHFFFAOYSA-N 439.446 5.716 30 20 IKED N#CCn1c(C(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)cc2ccccc21 609164944 KTHLMVMWQYYGBU-UHFFFAOYSA-N 440.450 5.483 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)cc1 609306161 CZHPQYYRDNWYEK-NRFANRHFSA-N 443.522 5.132 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cc(C#N)cn1C(C)(C)C 609358281 BOYPGXYCPUPZGA-CQSZACIVSA-N 442.972 5.684 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COc1cc(C(F)(F)F)ccc1Cl 609370722 RJBGRCCVEIVBNL-LBPRGKRZSA-N 428.863 5.628 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CCN(c4ccc(F)cc4F)C3)cc2)c1 609433658 AJKPPMOIAOVHHG-LJQANCHMSA-N 434.446 5.029 30 20 IKED N#Cc1ccc(N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c([N+](=O)[O-])c1 609443074 HAIJNBBQTRBTGJ-JOCHJYFZSA-N 447.539 5.160 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NCc3cccc(OCc4ccccn4)c3)cc2)cc1 609501927 MXTXLSOLIKTRHP-UHFFFAOYSA-N 449.510 5.449 30 20 IKED Cc1csc(N(CC(F)(F)F)C(=O)c2cccc(COc3ccc(C#N)cc3)c2)n1 609642762 LBEKHORJCJQQEX-UHFFFAOYSA-N 431.439 5.111 30 20 IKED CC[C@H](c1ccncc1)N(CC)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 610093688 SEPTVFPINDTEOU-RUZDIDTESA-N 428.536 5.732 30 20 IKED C[C@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccc(Br)s1 610290443 DQBJAYHMLADVSX-LBPRGKRZSA-N 428.311 5.312 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1ccc2ccccc2n1 613292734 TUHRHGJWYMPKDB-LJQANCHMSA-N 438.874 5.824 30 20 IKED N#Cc1ccc(CNC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)c(F)c1 613303476 CXEXGHOQTRHQNP-UHFFFAOYSA-N 440.837 5.064 30 20 IKED N#C[C@H](C(=O)c1cc(F)cc(Br)c1)c1nc2cc(C(F)(F)F)ccc2s1 613403868 HMJDQPHIZCVPTK-GFCCVEGCSA-N 443.219 5.707 30 20 IKED O=C(NCc1ccccc1F)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 615966834 ZJDPDFYBTPPTKF-UHFFFAOYSA-N 440.315 5.030 30 20 IKED O=C(c1cc2ccc(OC(F)(F)F)cc2[nH]1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618365591 GOYAIESZMDEBDW-UWVGGRQHSA-N 448.285 5.269 30 20 IKED C=CCN(Cc1ccccc1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC=C 642112960 PEYKGXKDCAZRNR-UHFFFAOYSA-N 438.984 5.091 30 20 IKED O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674557998 YQYIKLJSAJLKCU-KBPBESRZSA-N 437.315 5.218 30 20 IKED N#CCOc1ccc(CNC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 727678170 IVGNYRWXMODZIU-DEOSSOPVSA-N 436.964 5.381 30 20 IKED N#CCOc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 728848096 GNSOYZYOYXYSBF-UHFFFAOYSA-N 439.393 5.112 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1CC1 728913759 HHVGVLHOZUELDJ-KSSFIOAISA-N 443.494 5.717 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc(OC2CCCC2)c1 731262088 ORMMLZFJVVXQDB-QGZVFWFLSA-N 438.549 5.198 30 20 IKED C=CCc1ccc(OC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c(OC)c1 732633983 QZKRNMGRBURTQC-NRFANRHFSA-N 429.516 5.035 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)cc1OC 733244074 BCCDVRPHRMRLPA-LFYBBSHMSA-N 437.883 5.148 30 20 IKED N#CCOc1ccc(Cl)cc1CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 735230150 DLFIRJIPYXWRIV-UHFFFAOYSA-N 433.242 5.250 30 20 IKED N#CCOc1ccc(Cl)cc1CS[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 735317969 HUCDQZWJCXUXEI-GOSISDBHSA-N 440.874 5.300 30 20 IKED C[C@H](OC(=O)/C=C/c1ccnc2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCCC2 735554299 KQKVIOIVPMFDAV-PCUGXKRQSA-N 445.544 5.020 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(Cc3ccccc3F)n2)cc1 735594278 WHAFQZCEIGNNKB-LJQANCHMSA-N 435.524 5.177 30 20 IKED C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1 739153805 DUPJFCJDIVUSHF-XHDPSFHLSA-N 443.252 5.853 30 20 IKED C=CCCSC1=N/C(=C/c2ccc(N(C)C)cc2)C(=O)N1c1ccc(OC(F)F)cc1 739432866 YIZOBTHPQWNFPP-HMMYKYKNSA-N 443.519 5.407 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 741638958 ZDRIKKDKCJTNNY-AWEZNQCLSA-N 444.915 5.407 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 744033574 VOBPLHCHZITUCF-OAHLLOKOSA-N 446.787 5.525 30 20 IKED C[C@@H](Oc1ccc(F)c(F)c1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 744939396 YAPJHKCQFWORCY-BXKDBHETSA-N 426.366 5.237 30 20 IKED Cc1ccc2[nH]cc(CCC(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2c1 747108769 RUWGEORFKMBPEE-SFHVURJKSA-N 427.476 5.071 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)NC(c2cccs2)c2cccs2)cc1C#N 752309259 YDODTYUJQKEAFI-UHFFFAOYSA-N 426.523 5.161 30 20 IKED O=c1c2cc(Br)ccc2ncn1N=Cc1ccc(Sc2ccccc2)cc1 753922750 DIKDAKWFKRRASL-UHFFFAOYSA-N 436.334 5.192 30 20 IKED N#Cc1cccc(COc2cccc(CN[C@@H](C(=O)O)c3ccc(C(F)(F)F)cc3)c2)c1 756346305 BPCLDXOEANUWBS-JOCHJYFZSA-N 440.421 5.072 30 20 IKED CC1(C)C(=O)Nc2ccc(C(=O)/C=C\c3cn(-c4ccccc4)nc3-c3cccnc3)cc21 759118730 DBFNQFZSXZDUFO-QBFSEMIESA-N 434.499 5.060 30 20 IKED CC(C)(C)[C@@H](NC(=O)COC(=O)c1cn(CCCC#N)c2ccccc12)c1cccs1 769542279 DXMFPSQXBMIMGE-QFIPXVFZSA-N 437.565 5.067 30 20 IKED N#CCCCn1cc(C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)c2ccccc21 769545845 CHMMLUKNYXCQNF-UHFFFAOYSA-N 437.499 5.408 30 20 IKED C=CCNc1ncc(C(=O)O[C@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)s1 770109459 ZBHNFYIFAVEFTP-SECBINFHSA-N 425.297 5.016 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)c1 772644434 ISQPGYQMNPNQSH-XMMPIXPASA-N 434.495 5.867 30 20 IKED COc1ccc2c(c1)C(=NO[C@@H](C)c1nnc(-c3ccc(Cl)c(Cl)c3)o1)CCO2 774846929 RJSYBNYYLUTPSA-NSHDSACASA-N 434.279 5.316 30 20 IKED N#C[C@@H](C(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1)c1nc2ccccc2s1 780302633 PXCVEEGOSKBILI-SIKLNZKXSA-N 441.512 5.140 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 780675743 UEXPSVOSNMMGNJ-VGSWGCGISA-N 443.482 5.029 30 20 IKED CCOc1ccc(C(C)(C)C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1OCC 783359264 SRTFPXXUPKKBMU-MRXNPFEDSA-N 441.478 5.383 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 789457098 SCTKVZGVHICRNY-FQEVSTJZSA-N 427.589 5.544 30 20 IKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccsc2)N(C2CCC2)C1=O 790739412 YPOYUAPJCPOZBB-LJQANCHMSA-N 443.594 5.050 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(C(=O)Nc3ccccc3)c2)cc1 796792620 JZPAIIDKZDDURZ-KOSHJBKYSA-N 439.515 5.414 30 20 IKED C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 800519941 ZZJUFDRFJWQRQQ-NBGIEHNGSA-N 440.547 5.025 30 20 IKED O=C(Nc1cccc(/C=C2/C[C@H](C(=O)O)c3ccccc3C2=O)c1)c1ccccc1Cl 806559380 AQGXKLXJOONCQT-JQFUVSSDSA-N 431.875 5.431 30 20 IKED Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)C(=O)N[C@H](CCCC#N)c1ccccc1 815789754 MDNKFHILCBCNKX-XMMPIXPASA-N 445.950 5.805 30 20 IKED N#Cc1ccccc1-c1ccc(COC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 818035143 MWNMJPVKTUINOS-UHFFFAOYSA-N 439.515 5.213 30 20 IKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](C)c1ccccn1 837301698 NSWCNXHQRJAPMA-PGRDOPGGSA-N 444.560 5.112 30 20 IKED CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc(C#N)c2)NC(=O)N1Cc1cccs1 840199788 MUNONSVLOVJIEU-HSZRJFAPSA-N 442.544 5.107 30 20 IKED CC(=NNc1nc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)C2CCCC2)cc1 914693698 LMSZVJLWEMDARH-UHFFFAOYSA-N 425.579 5.363 30 20 IKED Cc1cccc2c(O)nc(/C(Cl)=C\c3cccc(OCc4cccc(C#N)c4)c3)nc12 915987489 FMXIITACAFURQD-LPYMAVHISA-N 427.891 5.831 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(C3CCCC3)C2=O)c1 916211888 RYVVGHNFIAWHEY-NRFANRHFSA-N 439.556 5.345 30 20 IKED Cc1nc2ccccc2c(=O)n1N=Cc1sc(Nc2ccccc2Cl)nc1Cl 916292540 CRPUCVGYXBLTEV-UHFFFAOYSA-N 430.320 5.094 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CSc1ccc(C(C)C)cc1 916898867 DZVNGHPSGACCHW-QGZVFWFLSA-N 430.957 5.220 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccc(C)cc3)n2)cc1 916914538 MZYKJEYGRWBVRA-JOCHJYFZSA-N 431.561 5.351 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 916915942 LHOORKZGQLECQL-QFIPXVFZSA-N 448.526 5.391 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1 916946981 CEUZEESGSTVNJR-OPAMFIHVSA-N 428.488 5.624 30 20 IKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC[C@H]2c2cc(C)no2)c1=S 917459805 RHEUCFDGNRKYJO-FQEVSTJZSA-N 437.613 5.656 30 20 IKED O=C1/C(=C\c2ccccc2F)CC2(C/C1=C\c1ccccc1F)C(=O)Nc1ccccc12 917517521 GUFNKVSTVQGFGT-LRVMPXQBSA-N 427.450 5.685 30 20 IKED Cn1ccnc1COc1ccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 917517555 HWLRVSDTVYOTHU-ZRDIBKRKSA-N 445.500 5.532 30 20 IKED Cc1ccc(-c2noc(CCC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)n2)cc1F 918491734 FYWQNAVPQYQXJR-QGZVFWFLSA-N 432.480 5.117 30 20 IKED C=CCc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(OC)c1 920804472 RDIFARRICGZTMF-HNNXBMFYSA-N 440.471 5.081 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)Nc3cccnc3)cc2)CCC1 1788034874 JTKPZQGFFFGCEM-IBGZPJMESA-N 434.584 5.009 30 20 IKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4c(C)cccc4[nH]3)cc2)CCC1 1789274142 CPXNONCIXQQQQG-GOSISDBHSA-N 446.551 5.025 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@]4(F)CCCC=C4F)cc3)CCC2)cc1 1792379623 LPZBLZWLTJEKPS-VWLOTQADSA-N 435.474 5.052 30 20 IKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 1803087742 WJNCGNGFSRGJNY-IZZNHLLZSA-N 445.607 5.293 30 20 IKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccccc2Cl)CC1 1826570789 ONGGRBMFPSXADD-XMMPIXPASA-N 443.031 5.086 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)ccc2C)CC1 1828823341 FIKWCSAVPSCUAK-UPVQGACJSA-N 426.576 5.136 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1 1831474921 IFRXFYWOMKABRQ-YFJHUXEUSA-N 426.645 5.201 30 20 IKED N#Cc1ccc(OCCSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)cc1 10143914 PGCAQUCIPCXWCP-UHFFFAOYSA-N 436.924 5.283 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 23604960 ATFNPZSKWLHTJM-UHFFFAOYSA-O 430.956 5.325 30 20 IKED C=CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1OC 25990578 HUQXYZMXGPIJFG-GOSISDBHSA-N 431.488 5.111 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C(=O)c1ccccc1)c1ccccc1 32789400 GITKUVNEKOXCRY-VWLOTQADSA-N 425.557 5.771 30 20 IKED CC(C)NC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 64715384 JYGVPIJTTZVGCD-HNNXBMFYSA-N 440.475 5.108 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2sc(C)c(-c3ccccc3)c2C(N)=O)cc1OC 105825340 ZGCMRQJDTGTLDW-ACCUITESSA-N 448.544 5.048 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCC(=O)N[C@H](C)c1ccc(Br)cc1 303366806 RIEBOBCSGCBZLH-HUUCEWRRSA-N 432.387 5.133 30 20 IKED C=CCN1CCC(NC(=O)C/C(=C/c2cccc(OC)c2)c2nc3ccccc3s2)CC1 426351648 MIHYXZAHGUJKQZ-SILNSSARSA-N 447.604 5.002 30 20 IKED CO[C@@H](C)c1nc(C)c(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)s1 429340333 UVYPHNVFAZIFDL-DMVCOTSLSA-N 441.622 5.573 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2ccc(I)c(Cl)c2)n1 429585727 SYWNBAICIROBJN-SNVBAGLBSA-N 430.698 5.015 30 20 IKED N#Cc1cccc(COc2cccc(CN(CCc3ccccn3)Cc3cccnc3)c2)c1 430869643 YFQVJMPHVUREMP-UHFFFAOYSA-N 434.543 5.172 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1)c1ccccc1 433144140 BDQAQWMJLMKHIW-XJFCNFDWSA-N 431.561 5.551 30 20 IKED C=CCC[C@@H](NC(=O)N(CC)CC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1 435100758 JUCARYLELZAZRK-LJQANCHMSA-N 434.367 5.671 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CCCc2nnc(-c3ccccc3)o2)cc1F 437501484 OECKAVYOBGMXBA-UHFFFAOYSA-N 442.450 5.501 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@H](CSc4ccccc4)C3)s2)cc1 437539498 RZJKTZQWOSGYNG-IBGZPJMESA-N 434.590 5.252 30 20 IKED CCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@@H](C)c1cccc(O)c1 437737813 QACGFCVDPGNMCK-SBUREZEXSA-N 433.939 6.316 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)Nc1ccc(F)c(C2CC2)c1 439818695 NMPWNMGLEQFZRD-UHFFFAOYSA-N 443.478 5.039 30 20 IKED COCc1nc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c(-c2ccccc2)s1 441063198 JMYUZHHDGFAVCV-UHFFFAOYSA-N 432.530 5.204 30 20 IKED CCc1ccc(Cl)c(CC)c1NC(=O)CCCN1CCC[C@]2(CCCCO2)[C@H]1C#N 447925215 YFPSJAROYRXCHF-ZJSXRUAMSA-N 432.008 5.111 30 20 IKED N#Cc1cc(NCC(=O)Nc2c(F)cccc2F)ccc1Oc1ccc(C(F)(F)F)cc1 462187907 JNQHEASTOQTQHN-UHFFFAOYSA-N 447.363 5.698 30 20 IKED N#CCCN(Cc1cccnc1)C(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 465175252 LFSCAKGVTKANCP-UHFFFAOYSA-N 426.303 5.737 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)S(=O)(=O)c1ccc(Cl)cc1C#N 469047347 RVHHFONZEQOUFO-AWEZNQCLSA-N 431.970 5.025 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)CNc2cc(NC(=O)c3ccccc3)ccc2C)c1 470540202 SDFHVBVMHHLGGX-UHFFFAOYSA-N 440.547 5.223 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCc1nnc(-c2ccccc2Br)o1 471656498 CHMQLFCLXSNRMO-ZDUSSCGKSA-N 429.343 5.505 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCSC[C@@H]2c2nccs2)c1 472098927 YWGMBWPFBWTMHN-GOSISDBHSA-N 441.965 5.391 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 475562748 HENGXVGNDACHIJ-UHFFFAOYSA-N 429.568 5.735 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)c1nccc2ccccc12 483193889 JDDUJHIMDZBAMS-KRWDZBQOSA-N 434.282 6.219 30 20 IKED CN(Cc1csc(Br)c1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 483323841 JXHODEFHABINIO-UHFFFAOYSA-N 427.323 5.447 30 20 IKED CN(C(=O)CC(C)(C)C(F)(F)F)c1ccc(NC(=O)CC(C)(C)C(F)(F)F)cc1F 483629433 URHIRXAWERUSRA-UHFFFAOYSA-N 444.391 5.684 30 20 IKED CCc1onc(-c2ccc(Br)cc2)c1C(=O)[C@H](C#N)c1nccc2ccccc12 483974643 FEAKCMWXVCRQKY-GOSISDBHSA-N 446.304 5.705 30 20 IKED Cc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1C(=O)N(C)C(C)C 488193315 BMIGRBCBTRMYJA-UHFFFAOYSA-N 441.531 5.586 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1scc(C)c1Br 489292641 NNLDKWHWENHWOX-UHFFFAOYSA-N 428.311 5.439 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccc(F)cc2OC(C)(C)C)nnc1-c1ccco1 498821794 CXGSSBDHTXUBPA-UHFFFAOYSA-N 444.532 5.161 30 20 IKED N#C[C@H](C(=O)c1cccc(OCc2cccnc2)c1)c1nc(-c2ccc(Cl)cc2)cs1 503504586 WPVXLEIFKJQQGW-OAQYLSRUSA-N 445.931 5.928 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 503939272 ZQWGLLFHZUWFDZ-UHFFFAOYSA-N 438.424 5.417 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1 505302762 YWHYXEQYMPGQPV-SFHVURJKSA-N 426.259 5.032 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4sc(N(C)C)nc4s3)n2)cc1 505716102 CTZKZJUBPNSDAC-CYBMUJFWSA-N 440.575 5.046 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@@H](C)c2cc(F)ccc2F)cc1 508257416 HTMADMYBJYJLBA-HNNXBMFYSA-N 437.446 5.862 30 20 IKED COc1ccc(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1OCCCC#N 509348131 KPJLEXAUJCCICL-UHFFFAOYSA-N 439.943 5.552 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@H]3CCc3ccccc3)s2)cc1 510234602 CKBQHBNEQAKKNN-FQEVSTJZSA-N 449.605 5.331 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 512547482 OACNYUBAIAFNQR-OAHLLOKOSA-N 434.371 5.960 30 20 IKED C[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1ccc(Cl)cc1Cl 515517075 CGTBNSWEFGGVAP-HNNXBMFYSA-N 440.330 5.883 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 517112178 VRXXCCXUVASZOD-UHFFFAOYSA-N 439.559 5.735 30 20 IKED CCC(CC)[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccs1 517466079 JFKPVINPVIIAFE-YWZLYKJASA-N 429.611 5.232 30 20 IKED N#Cc1ccc(CNC(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)cc1 517551199 WCUGXYONHNROJJ-UHFFFAOYSA-N 446.963 5.018 30 20 IKED CC(C)Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C(C)C)cc1 519439244 DMSZJYZYHKAQDO-QHCPKHFHSA-N 437.609 5.343 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1 520826198 FSDBSNFWTDOVTF-AWEZNQCLSA-N 444.528 6.521 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl 520939225 NUZZYQGBFBOGAT-HOTGVXAUSA-N 431.964 6.112 30 20 IKED Cc1c(Br)c2ccccc2n1CC(=O)Nc1ccccc1SC[C@@H](C)C#N 521729040 DTIYAEBYYJVIGN-AWEZNQCLSA-N 442.382 5.603 30 20 IKED O=C(Nc1ccc(OC(F)F)c2ncccc12)N1CCC(C(F)(F)F)(C(F)(F)F)C1 522704771 OACPUTXADACJGG-UHFFFAOYSA-N 443.294 5.185 30 20 IKED Cc1ccc(C(=O)Nc2nc(C)c(SCC#N)s2)cc1NC(=O)Nc1ccccc1 524634084 AVDQKDPUYJUXKI-UHFFFAOYSA-N 437.550 5.272 30 20 IKED Cc1nc(SCC(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)c(C#N)c(C)c1C 524963594 GVHMWEGWCCWEST-KRWDZBQOSA-N 427.879 5.044 30 20 IKED Cc1nc(SCc2nnc(-c3ccc(C#N)cc3)o2)n([C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C 525110700 GDDVMKQLQAKXQW-BVPXEZJJSA-N 433.581 5.711 30 20 IKED CC(C)Cn1ncc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1C(F)F 534001505 UYPPEQGFIAOPMH-UHFFFAOYSA-N 438.478 5.374 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1ccc(COc2ccccc2)cc1 540194333 GJAVLYSEZGELFK-FQEVSTJZSA-N 429.520 5.021 30 20 IKED CC(=O)N(c1nc(CN(Cc2ccc(C#N)cc2)C2CC2)cs1)c1ccc(C)cc1C 541316536 SDGNSNRRSTZNMY-UHFFFAOYSA-N 430.577 5.481 30 20 IKED COC(=O)[C@H](C)Cc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 544732771 BEOKPGHDCWHXQW-QGZVFWFLSA-N 430.529 5.313 30 20 IKED N#CCCn1cc(/C=C/c2nc(Cc3coc(-c4ccc(F)cc4)n3)no2)c2ccccc21 544996780 IPIMIWKDJWOWHL-DHZHZOJOSA-N 439.450 5.493 30 20 IKED CN(C)C(=O)c1ccc(-c2noc(-c3cccc(Oc4ccc(Cl)cc4C#N)c3)n2)cc1 545614924 UXMKSYSKCUEHLL-UHFFFAOYSA-N 444.878 5.423 30 20 IKED COc1cccc(OC)c1OCc1noc(-c2ccc(Oc3cccc(F)c3C#N)cc2)n1 545776762 HYLIKVFXJBWXAV-UHFFFAOYSA-N 447.422 5.136 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H](C)[C@H]1OCCc2sccc21 550573778 JMUXYNZVRUDAQY-MZNJEOGPSA-N 434.536 5.551 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 554175979 GFRFRVAGQDABCX-UHFFFAOYSA-N 440.927 5.615 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)N(CCC#N)c4ccc(F)cc4)cc3)o2)cc1 561919573 GINIVTVEEKGHQE-UHFFFAOYSA-N 426.451 5.412 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC(CC#N)CC1 563638585 ZWELARWGWCVRDO-UHFFFAOYSA-N 427.552 5.230 30 20 IKED CSCc1cccnc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 576391978 WALWNAYXADHEQD-CQSZACIVSA-N 434.373 5.865 30 20 IKED COC[C@@H](NCc1ccc(OCc2cccc(C#N)c2)c(OC)c1)c1cccc(Cl)c1 578694642 AOYGAIGTRLDPRB-HSZRJFAPSA-N 436.939 5.277 30 20 IKED COC(=O)[C@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccccc1C(F)(F)F 579782669 IVSFVUXXZDRBJA-HXUWFJFHSA-N 427.382 5.091 30 20 IKED Cc1ccc(NC(=O)N2CCC(CC#N)CC2)cc1Oc1ncccc1Br 580873281 JGCIOFMBFFZWTL-UHFFFAOYSA-N 429.318 5.102 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@]2(CO)C[C@H]2c2ccccc2)cc1Cl 582575431 YOQJNSJZLIUIEX-MVERNJQCSA-N 445.950 5.283 30 20 IKED Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)Nc2n[nH]c(C3CC3)c2C#N)cc1 583044234 DCFPHUHRTLKBHT-UHFFFAOYSA-N 439.544 5.439 30 20 IKED Cc1cc(F)ccc1N(Cc1ccco1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 583402909 BZTMBKQFPVUEMY-UHFFFAOYSA-N 435.474 5.188 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)s1 589806758 OPKQUFCHVPWRGJ-UHFFFAOYSA-N 432.530 5.420 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CNc1ccccc1C(=O)Nc1cccc(Cl)c1 603472384 HACJZLLIAUMWJY-UHFFFAOYSA-N 439.302 5.168 30 20 IKED Cc1nccc(-c2cccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)c2)n1 603609415 ZISOYBGGZJQLHU-UHFFFAOYSA-N 436.540 5.868 30 20 IKED Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccccc1Sc1ccccc1C#N 603744578 TYYXOPLQTQVAJE-UHFFFAOYSA-N 429.545 5.865 30 20 IKED C[C@H](SCCOc1cccc(C#N)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 604065011 XPXLVUHQZWXOIL-LBPRGKRZSA-N 428.863 5.370 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc(-c4ccccc4Cl)[nH]n3)c2)c1 604181633 AXFJEPYEOBDGHG-UHFFFAOYSA-N 441.878 5.106 30 20 IKED CC1(C)CN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)[C@H]1c1ccccc1 604363024 XGHRKIFEDFAGHT-SFHVURJKSA-N 435.578 5.317 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@@H](c2ccccc2F)C1 608995673 VIFMOMLWHVATLD-XMMPIXPASA-N 431.467 5.404 30 20 IKED COc1cc(C#N)ccc1OCC(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 609033189 NBNKFWZXHXOOJC-UHFFFAOYSA-N 443.434 5.064 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1-c1ccccc1C#N 609061789 ICGPNKGZXYOBCY-UHFFFAOYSA-N 443.506 6.237 30 20 IKED CCOc1ccc([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 609078404 OREQGDYWUSGPMF-IBGZPJMESA-N 429.520 5.727 30 20 IKED CCCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609204995 RMNMCJREFIMLBE-UHFFFAOYSA-N 447.457 5.441 30 20 IKED COc1ccccc1OCCCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 609207132 RRHQATQYTXGGHO-UHFFFAOYSA-N 431.492 5.258 30 20 IKED Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)s1 609322406 HBNTXFKQFPCJHO-KRWDZBQOSA-N 434.565 5.744 30 20 IKED Cc1c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)oc2ccc(Br)cc12 609378205 ZVDUEGYGDZVMQH-LBPRGKRZSA-N 429.339 6.008 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2cccc3ccccc23)CC1 609438528 JGGQAMHDJAPLSP-IBGZPJMESA-N 429.589 6.646 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 609645472 KAUCQRPKCBTZID-HSZRJFAPSA-N 447.922 5.506 30 20 IKED COc1ccc(NC(=O)CSCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)cc1 609741107 GFDKOMOOKDGVFT-UHFFFAOYSA-N 448.544 5.026 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)CSc2ccc(C#N)cc2)c1C 609795407 TYFVILBDMLLBGR-UHFFFAOYSA-N 431.348 5.398 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccn(-c4cccc(C(F)(F)F)c4)n3)cn2)c1 609968031 AKOIECKMSQWYHJ-UHFFFAOYSA-N 449.392 5.202 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3C[C@H]3c3ccccc3OC(F)(F)F)cn2)cc1 610153120 PVRYHQFFOSZENK-OALUTQOASA-N 439.393 5.386 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)cc1Cl 610224498 SLTUCHNJYPYXGY-QHCPKHFHSA-N 444.897 5.501 30 20 IKED Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)CC3 610334592 SVONECQWRYXNOH-UHFFFAOYSA-N 440.478 5.870 30 20 IKED N#C[C@H](NC(=O)c1cc(-c2ccccn2)ccc1Cl)c1ccccc1Br 611112212 DLFPMWYDNREZTR-IBGZPJMESA-N 426.701 5.159 30 20 IKED CN(CCCc1cc(-c2ccc(F)cc2)no1)Cc1cn(CCC#N)nc1-c1ccccc1 611268246 XHWWODQTIKZPNV-UHFFFAOYSA-N 443.526 5.322 30 20 IKED N#Cc1ccc(CSc2nnc(COc3ccc(Cl)cc3)o2)c(Br)c1 611491541 XNIIGCYRKDJMBH-UHFFFAOYSA-N 436.718 5.228 30 20 IKED N#Cc1cc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1OC(F)(F)F 619667137 FCHTYIGOSICEHJ-UWVGGRQHSA-N 449.273 5.051 30 20 IKED N#Cc1ccc(CNC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1Cl 619787222 CXWZDFGIBXYFMU-UHFFFAOYSA-N 445.350 5.249 30 20 IKED O=C(CCc1ccccc1F)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622516831 RJWNJFPTIHQBNB-GOSISDBHSA-N 449.366 5.396 30 20 IKED C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 670201175 XSXZUVAUSRNYOR-GJZGRUSLSA-N 443.395 5.180 30 20 IKED O=C(CCN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)Nc1ccccc1C(F)(F)F 675953985 VJZOZKXYDIOQDH-QWRGUYRKSA-N 436.318 5.097 30 20 IKED COc1ccc([C@@H](NC(=S)Nc2ccc(C#N)c(Cl)c2)c2ccc(F)cc2)cc1 726478014 DHBBRAWBLITEMT-NRFANRHFSA-N 425.916 5.435 30 20 IKED CC(C)CC(=O)N[C@@H](C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccccc1 727628384 KJHYXRGPMDYBOK-OXQOHEQNSA-N 425.941 5.030 30 20 IKED N#CCOc1ccc(CNC(=O)N[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)cc1 727845016 ZUWGERKTFLIZOV-JOCHJYFZSA-N 440.330 5.485 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cccc(OC(C)C)c1 728118681 AQUWMUNDJKYGAI-UHFFFAOYSA-N 429.520 5.555 30 20 IKED Cc1sc2nc([C@@H](C)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)nc(O)c2c1C 728299990 WTMQVBLGOWNPSW-CQSZACIVSA-N 448.523 5.777 30 20 IKED N#Cc1ccc(SCC(=O)Nc2nc(Cc3ccc(Br)cc3)cs2)cc1 728469310 PMALQIVBUNVXRS-UHFFFAOYSA-N 444.379 5.099 30 20 IKED C#Cc1ccc(C(=O)N(CCCC)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1 728801527 YLPOUZGMTICKLE-UHFFFAOYSA-N 430.360 5.940 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 729576266 RXVLKRFTEMLAIW-UHFFFAOYSA-N 439.531 5.734 30 20 IKED N#C[C@H](C(=O)c1sc2cc(Br)ccc2c1Cl)c1nc2ccccc2[nH]1 729886714 JYQQVVYWJKDQHF-LLVKDONJSA-N 430.714 5.684 30 20 IKED Cn1c([C@@H](C#N)C(=O)[C@@H](Sc2ccccc2Cl)c2ccccc2)nc2ccccc21 730072780 YKXHCVQPAFIJBZ-SBUREZEXSA-N 431.948 5.937 30 20 IKED C=CCNC(=O)c1ccccc1NC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1 730165396 JEJXVOBZUQVKGC-UHFFFAOYSA-N 428.460 5.185 30 20 IKED O=C1/C(=C/c2cccnc2Cl)CCc2nc(-c3ccccc3Br)sc21 730436036 JTNLKZXHLGNSGP-ZHACJKMWSA-N 431.742 5.834 30 20 IKED Cc1cc(C(=O)COC(=O)c2ccc(C#N)cn2)c(C)n1C(c1ccccc1)c1ccccc1 730895211 HRLXHSRYLRFCTL-UHFFFAOYSA-N 449.510 5.049 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 731060027 PSWZJRJQYUMLEH-IBGZPJMESA-N 444.556 5.330 30 20 IKED N#CCOc1ccc(CC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCC3)cc1 732028516 RFADYTGIOMMGMS-UHFFFAOYSA-N 445.569 5.597 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)ccc1OC 733230073 KUDFQWOCUHFXBU-RDTXWAMCSA-N 435.351 5.178 30 20 IKED COc1cc2c(cc1NC(=O)[C@H](C#N)c1nc3cc(F)ccc3s1)oc1ccccc12 734089074 GRDZEQSLYMIYAD-HNNXBMFYSA-N 431.448 5.589 30 20 IKED N#Cc1ccc([C@@H](OC(=O)c2oc3ccccc3c2CSc2cccs2)C(N)=O)cc1 734579359 OLYWLKFLAFXKRW-HXUWFJFHSA-N 448.525 5.042 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(SC(F)F)cc2)ccc1O[C@H](C)C(=O)N(C)C 734982043 VTRGLVXHMDXIPP-NYXMJBRJSA-N 449.519 5.152 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F 735576870 IRADKCXLELGHGX-UHFFFAOYSA-N 440.519 5.734 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)OC(=O)CCc3c(C)nc(O)c(C#N)c3C)s2)cc1 739305280 WOWCWGKWXAOPSU-KRWDZBQOSA-N 435.549 5.253 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N[C@H](c3ccc(F)cc3)[C@@H]3CCCO3)c2)s1 740063042 YINIXWDZLUKTGA-JTHBVZDNSA-N 435.524 5.145 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=S)N[C@H]1CCOc2ccccc21 741485739 GORAUCNDILOQEE-HNNXBMFYSA-N 437.512 5.521 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(SCC(F)(F)F)cc2)cs1)C1CC1 741845276 ZEVFYQCRQVLPAV-RUDMXATFSA-N 426.485 5.209 30 20 IKED CC(C)(C)OC(=O)N1CCCN(C(=O)CCCCOc2cccc(C#N)c2)c2ccccc21 741954428 PXVCXXGEDRHMCX-UHFFFAOYSA-N 449.551 5.286 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N(Cc3ccco3)Cc3ccccc3O)c2)cc1 743428627 FLOHISXDXXHECL-UHFFFAOYSA-N 438.483 5.278 30 20 IKED CC(=NNc1oc(C(C)(C)C)nc1C#N)c1cnn(-c2ccc(Cl)cc2Cl)c1C 743436077 FLCVHHPREUVYPA-UHFFFAOYSA-N 431.327 5.481 30 20 IKED N#C[C@@H](C(=O)CCCOc1cccnc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 744035502 OBMUPEYCWZPDMS-INIZCTEOSA-N 432.332 5.547 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(OC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1 744244199 HLVORFPXFJEVLG-UHFFFAOYSA-N 431.448 5.312 30 20 IKED O=C(OCc1nnc(-c2cccc(F)c2)o1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 744492215 LLHVDJGAWIBQCM-UHFFFAOYSA-N 434.267 5.270 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(Cl)ccc2OC(F)F)cc1 745929722 GLOJLOBSQLSXSD-HXUWFJFHSA-N 441.865 5.919 30 20 IKED Cc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1N1CCOC1=O 746350531 HYNAHYKNFCMLKR-UHFFFAOYSA-N 443.528 5.368 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C/c2ccc3ncccc3c2)C(=O)c2ccccc2)c(Cl)c1 747155293 VFIKGHDHVCTPAL-CJLVFECKSA-N 440.930 6.410 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1cc(C)ccc1OC)[n+]1ccc(Cc2ccccc2)cc1 748293570 NNCSZMZMGABHRG-UHFFFAOYSA-O 445.608 5.259 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)ccc1OCc1ccccc1 748583621 ICHAQDWADNGRRP-RIYZIHGNSA-N 443.499 5.517 30 20 IKED Oc1ccc2ccccc2c1/C=N/C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 749748845 QROAPVHFNXRRPK-FEGPCZTRSA-N 428.454 5.057 30 20 IKED N#CCOc1ccc(Cl)cc1COC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1 752199839 BHBXXDONADQZNS-UHFFFAOYSA-N 436.773 5.273 30 20 IKED Cn1cncc1CON=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 753118089 NIQBNQPFQQPJNU-UHFFFAOYSA-N 427.504 5.129 30 20 IKED COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)c(O)c1 757471354 BSGWDMQIKDIYPQ-YHYXMXQVSA-N 428.897 5.091 30 20 IKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C2CC(F)(F)C2)c1 757886050 PKXPMQAQCVPRPX-LJQANCHMSA-N 443.519 5.061 30 20 IKED Cc1c(NC(=O)c2ccc(COc3ccccc3C#N)o2)cnc(Cl)c1Br 759285937 WMMNNSMSNMRBQS-UHFFFAOYSA-N 446.688 5.102 30 20 IKED N#CCOc1cccc(CC(=O)Nc2nc(-c3cccc(Oc4ccccc4)c3)ns2)c1 760457298 ISLZPGASVNWALS-UHFFFAOYSA-N 442.500 5.081 30 20 IKED CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 761620148 UFVVZOHJMPOGGX-XXBNENTESA-N 433.552 5.318 30 20 IKED COC(=O)CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 763933047 XNZWFXGDVODLSL-JWQCQUIFSA-N 441.531 5.028 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1 767869729 ZVNCCEMICUWZQW-SFHVURJKSA-N 446.551 5.465 30 20 IKED Cc1ccc(Cc2nc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cs2)cc1 768780775 BNHAXGRLMBLJLJ-HNNXBMFYSA-N 444.343 5.310 30 20 IKED O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1cc(C(F)(F)F)cnc1Cl 769293478 KCOFTJGWEJQCOU-UHFFFAOYSA-N 448.697 5.669 30 20 IKED CC(C)(C)[C@H](NC(=O)COC(=O)c1cn(CCCC#N)c2ccccc12)c1cccs1 769541779 DXMFPSQXBMIMGE-JOCHJYFZSA-N 437.565 5.067 30 20 IKED C[C@H](NC(=O)[C@@H](C)OC(=O)c1cn(CCCC#N)c2ccccc12)c1cc2ccccc2o1 769544675 RUQURBINRIHHRL-ZWKOTPCHSA-N 443.503 5.114 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O 769615914 RPMSPTLDJBZURQ-UHFFFAOYSA-N 448.850 5.046 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F 769944786 DLWBDIHOQRGULB-YLQKULKDSA-N 436.817 5.032 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(CC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1 772404294 PPAGXEOQDLIAFQ-QGZVFWFLSA-N 434.323 5.264 30 20 IKED CCOC(=O)N(C)c1ccc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)cc1 774027643 HGQOCWJNGGAQOG-UHFFFAOYSA-N 428.492 5.140 30 20 IKED CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)ccn1 777859444 WWTUJDIQXIMSND-UHFFFAOYSA-N 444.491 5.023 30 20 IKED N#CC1(NC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)CCN(Cc2ccccc2)CC1 778114782 VAIJKBKKUGXFJL-UHFFFAOYSA-N 449.476 5.059 30 20 IKED C=CCN(CCc1ccco1)Cn1nc(-c2cccnc2)n(-c2ccccc2C)c1=S 778585847 VOSUOCRRGCTRPS-UHFFFAOYSA-N 431.565 5.055 30 20 IKED N#C[C@H](C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2)c1ccccn1 779197552 WUPLZKGUYHRSKT-WWDWIJQOSA-N 430.392 5.380 30 20 IKED N#C[C@@H](C(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1)c1nc2ccccc2o1 781453696 WUTZJYUDYVBGDH-FQEVSTJZSA-N 445.519 5.271 30 20 IKED CC(C)c1ccc(C2(O)CCC(NC3CCC(Oc4ccc(C#N)cn4)CC3)CC2)cc1 781912543 OJSCHVLZMYCGLT-UHFFFAOYSA-N 433.596 5.187 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc2)CCO1 782572586 OYKJUBMHCYAAKE-PMACEKPBSA-N 440.547 5.333 30 20 IKED N#C[C@@H](C(=O)CC1CCC(C(F)(F)F)CC1)C(=O)Nc1ccc(SC(F)F)cc1 783351591 XSPZNFAFOIGVOH-QOZQQMKHSA-N 434.430 5.407 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2CN(C)c2ccccc2)c1 788787624 PBDWOECYKFMNMF-QHCPKHFHSA-N 428.536 5.326 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 793464322 NPNOBVAIEJQKNL-GOSISDBHSA-N 449.429 5.235 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C(F)F)nn(C)c3s2)cc1 796628392 BZEXPJCSDIXZCP-IAQYHMDHSA-N 430.480 5.047 30 20 IKED N#CC[C@@H](CC(=O)Oc1ccc(Oc2ncc(Br)cn2)cc1)c1ccccc1 796991791 PASRQUAECDKPNL-INIZCTEOSA-N 438.281 5.024 30 20 IKED CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(F)cc1OCC#N 797466577 UQWKGFXIVZNRGW-UHFFFAOYSA-N 448.281 5.895 30 20 IKED CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797566557 NJIPVQDIOAJZSK-OFNKIYASSA-N 447.604 5.154 30 20 IKED N#Cc1cccc(-n2ccc(C(=O)O[C@H](c3cccnc3)c3cccc(C(F)(F)F)c3)n2)c1 798845955 PHUVARDQQZCUQZ-QFIPXVFZSA-N 448.404 5.104 30 20 IKED C[C@@H](OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1nnc(-c2ccc(Cl)cc2Cl)o1 803921977 DDKILXFGYIEGDS-LLVKDONJSA-N 446.265 5.390 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(=O)Nc1ccc(SC(C)(C)C)cc1C 807358280 WUUZZHJZEXSXIC-UHFFFAOYSA-N 442.629 5.206 30 20 IKED O=C(O)c1cccc(C#Cc2cccc(NC(=O)c3ccc(CN4CCCCC4)cc3)c2)c1 914728808 VRZJJPOLVBSLBB-UHFFFAOYSA-N 438.527 5.023 30 20 IKED Cc1ccc(C)n1-c1nc(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cs1 915863075 SAZPZTYTIBSLOB-HSZRJFAPSA-N 426.545 5.387 30 20 IKED Cc1ccc(-n2c(SCC(=O)[C@@H](C#N)c3ccccc3)nnc2-c2ccccc2F)cc1 916622928 RUEKAPVANGOHBD-NRFANRHFSA-N 442.519 5.350 30 20 IKED N#C[C@@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1nc2ccccc2s1 916846297 PDERFXQEJVXXGW-FQEVSTJZSA-N 439.515 6.393 30 20 IKED N#C[C@H](C(=O)CSCc1ccc(Cl)cc1)C(=O)Nc1ccc(SC(F)F)cc1 916882734 BNNDCLKPDBQKIH-MRXNPFEDSA-N 440.924 5.235 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 916883376 KCKOFMKLYQAXEI-OAQYLSRUSA-N 440.890 5.154 30 20 IKED N#C[C@H](C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 917031085 OXGSDXYMQPAYGV-SETKMKJASA-N 449.551 5.052 30 20 IKED N#C[C@@H](C(=O)COc1cccc2ccccc12)c1nc2cc(C(F)(F)F)ccc2s1 917045287 XOWGPCTYYMLJAC-INIZCTEOSA-N 426.419 5.724 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccc(OC(F)F)cc3)n2)cc1 920138384 GSOVHFFBBHAIDQ-GOSISDBHSA-N 428.460 5.229 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccc(-c4ccccc4F)o3)n2)cc1 920143626 YXFXAXFZTLZVJU-FQEVSTJZSA-N 441.487 5.890 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CS[C@H]3CCCCO3)CCC2)cc1 1785842705 ILSTXSKKTKNRBU-QFIPXVFZSA-N 444.641 5.373 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCc3c(C)noc3C)cc2)CCC1 1786908415 YYSBNQPSFFBSJE-UHFFFAOYSA-N 437.584 5.351 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccc4nc[nH]c34)cc2)CCC1 1788430972 WKIJVDYBXYJLNO-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)Cc3c[nH]c4ccccc34)CCC2)cc1 1791730724 UBVCLVBVURSJGR-UHFFFAOYSA-N 427.548 5.038 30 20 IKED Cc1cncc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)c1 1792122171 DTRIHHGCGWRUQQ-LJQANCHMSA-N 438.531 5.079 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC)cc3Cl)cc2)CCC1 1792144527 LMHBOVWTRDYGHD-UHFFFAOYSA-N 438.955 5.290 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2c1oc1ccccc12 1801202071 IELNJKBCZJELIX-ACDBMABISA-N 444.575 5.830 30 20 IKED C=CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C3CCCCC3)c(C(F)(F)F)c1)C2 1802318438 IVQPWSZCODQELH-ACDBMABISA-N 448.529 5.581 30 20 IKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C3CC3)cc2)[C@@H]1c1cccnc1 1803090673 IGTXDXUDDIXRNR-IZZNHLLZSA-N 443.591 5.047 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C23CCC(CC2)CC3)[C@H]1c1cccnc1 1810501891 DKUXWYHBMNFBJS-YRKJJQBRSA-N 437.628 5.050 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3cnccc23)[nH]n1 1819554776 NZAVZBTZJHWPTH-JOCHJYFZSA-N 445.567 5.256 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)CC1 1828044381 NKQXEPHOZQFRPO-XMMPIXPASA-N 435.612 5.394 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 1831789592 XUOOYCVKXZFHQI-RSYZFUPGSA-N 434.624 5.178 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2oc3ccccc3c2C)CC1 1832028332 LQWBFTDLQWKFTP-HSZRJFAPSA-N 434.580 5.168 30 20 IKED Cc1ccc(Nc2nnc(SCC(=O)N(CCC#N)c3ccccc3)s2)cc1Cl 16325266 VCFAZUDVDIHBJL-UHFFFAOYSA-N 443.985 5.283 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)n1 21514668 JCMMDGLWMCYSBA-VIFPVBQESA-N 434.270 5.707 30 20 IKED C=CCn1c(SCc2csc(C)n2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 22556242 OBOQIZVJHPMLAO-UHFFFAOYSA-N 443.594 5.816 30 20 IKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2cccc(O)c2)c1 22729662 FFAQTNVGVAOKDC-UHFFFAOYSA-O 433.597 5.645 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc(C)c(C)c2)cc1 23603284 VLOIFRIEKZIICV-UHFFFAOYSA-O 448.656 6.490 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12 62905213 VITCVJGMLRZPRW-UHFFFAOYSA-N 442.544 5.577 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(OC3CCCC3)cc2)cc1 108374437 AWYUWMNRKWGFDZ-UHFFFAOYSA-N 426.516 5.905 30 20 IKED C=C(C)COc1cc(CN[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)ccc1OC 237345655 UGRVHHXVUZHFRZ-HXUWFJFHSA-N 430.548 5.753 30 20 IKED CCC(CC)CN(CCC#N)C(=O)Cc1csc(-c2cc(Br)cs2)n1 303200737 HKFPDUHAEJOAGE-UHFFFAOYSA-N 440.432 5.355 30 20 IKED N#CCSc1cccc(C(=O)Nc2nc(-c3ccc(Br)s3)cs2)c1 429958069 LIVVZOBVJQDLAF-UHFFFAOYSA-N 436.381 5.502 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1ccccc1 433164739 ADPGUDSZZJJOPD-GOXGLGGOSA-N 445.588 5.692 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(F)(c4ccccc4)CC3)c2)cc1 433259845 JTRCKHQDIOKXRF-UHFFFAOYSA-N 443.522 5.824 30 20 IKED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 436357208 HDARNLPWHUGGFK-OXQOHEQNSA-N 447.457 5.060 30 20 IKED N#Cc1cccc(-c2cc(C(=O)Nc3ccc(Cl)c(C(=O)NC4CCCCC4)c3)on2)c1 436420614 UNAIDIJRNAKIHR-UHFFFAOYSA-N 448.910 5.181 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)CSCc3cscn3)cc2Cl)c1 437159108 HOVAGQRWORLCPU-UHFFFAOYSA-N 429.954 5.119 30 20 IKED CCn1c([C@@H]2CCCN2CC(=O)Nc2ccccc2S[C@H](C)CC#N)nc2ccccc21 437771501 FQPWMNWIPQSLRL-GCJKJVERSA-N 447.608 5.226 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccc(OC)cc2)nc1 438426887 NGXLRVFEJQERGV-UHFFFAOYSA-N 434.452 5.011 30 20 IKED CC(C)NC1CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CC1 438522436 GCEDPUBXAQNZDC-UHFFFAOYSA-N 446.473 5.364 30 20 IKED N#CCC[C@H](NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccccc1 439669475 CMKKEIYDGYUKPD-BJKOFHAPSA-N 445.950 5.362 30 20 IKED O=C(Nc1cccc(CCC(F)(F)F)c1)c1cnn(-c2ccccc2F)c1C(F)(F)F 440694536 RHFHNKUOBAIULE-UHFFFAOYSA-N 445.338 5.777 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(OC)c(Cl)c1)c1ccc(C(F)(F)F)cc1 442069635 WOFWUIWLVLWAKL-QGZVFWFLSA-N 440.849 5.130 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC[C@@H](CNC(=O)CCC)C1)c1ccc(C(F)(F)F)cc1 442288640 DOZLJDSVLUTRHF-FXAWDEMLSA-N 439.522 5.051 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)c1C#N 445558453 OUKQCFOFZILQTF-KRWDZBQOSA-N 430.455 5.141 30 20 IKED C=CCN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)c1nc(-c2ccccc2)cs1 445664956 NKBNQCXMSVCBHR-UHFFFAOYSA-N 444.560 5.056 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1 448356637 UUDLVHXECGWFMW-YADARESESA-N 427.573 6.412 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1ncc(-c2ccc(Cl)cc2)s1)c1ccccc1 461090120 YWFVVBNUXONCMG-UHFFFAOYSA-N 438.940 5.129 30 20 IKED C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(CCC#N)CC2CC2)n1Cc1cccs1 461476130 CNFRYTQFYMTFFZ-MRXNPFEDSA-N 441.988 5.311 30 20 IKED Cc1[nH]nc2ncc(C(=O)Nc3ccc(Oc4ccc(C(F)(F)F)cc4)c(C#N)c3)cc12 464296296 MUPHKTYTUFAUOQ-UHFFFAOYSA-N 437.381 5.201 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc1 464409298 UPZGFEKGTGRKGB-IBGZPJMESA-N 437.446 5.754 30 20 IKED CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1cc(F)ccc1C#N 469279571 VJSRNHFUQJXZQN-UHFFFAOYSA-N 427.829 5.219 30 20 IKED COCCN(Cc1scnc1C)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 470503877 IUJKEPXHFQMXKR-UHFFFAOYSA-N 441.940 5.058 30 20 IKED Cc1cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c(C)n1C1CCCCC1 470776243 GJKZSQRGAAMPLQ-UHFFFAOYSA-N 432.568 5.445 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1c(F)cccc1I 471393248 QNWQISKUGAYZFZ-UHFFFAOYSA-N 448.260 5.283 30 20 IKED Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(Br)s1 471703281 TVAAKUYQVYPFPC-UHFFFAOYSA-N 441.350 5.830 30 20 IKED Cc1ccncc1CN(C)C(=O)c1sc(-c2ccc(OCC(C)C)c(C#N)c2)nc1C 477909404 QRJQVUFZIRWHRQ-UHFFFAOYSA-N 434.565 5.001 30 20 IKED CCc1ccc([C@H]2COCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)o1 480354247 HHGBZAYSODJVLD-FYYLOGMGSA-N 449.938 5.756 30 20 IKED CN(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1 480713608 YBKLXUSZDPHCHO-UHFFFAOYSA-N 435.936 5.317 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCCC[C@@H]3c3nc4ccccc4o3)cc2)cc1 480795268 DAZFVYAOSLXDBT-HSZRJFAPSA-N 438.487 6.251 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 482244251 MZIMDNDUKHXHQW-UHFFFAOYSA-N 446.404 5.047 30 20 IKED CCS[C@H](C)c1noc(CN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)n1 483322850 LTWUIFWKYIDYBW-OAHLLOKOSA-N 437.525 5.212 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1 483342238 PCQJXMIJCCSAJX-JXXFODFXSA-N 447.526 6.572 30 20 IKED Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1 483351402 QADQCZXBZSHUKP-NRFANRHFSA-N 447.560 5.130 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 483627481 UGZBEIYCAPXLQQ-FXAWDEMLSA-N 447.564 5.747 30 20 IKED C=CCN(C(=O)CSc1ccccc1OC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 484745274 AXVFUQRCAAPUGP-UHFFFAOYSA-N 441.534 5.038 30 20 IKED Fc1cccc(Cc2noc(CN[C@H](c3ccc(OC(F)(F)F)cc3)C(F)(F)F)n2)c1 488258571 YOGZGTXODBGSNT-QGZVFWFLSA-N 449.326 5.091 30 20 IKED COC[C@@H](NCc1ccc(OCc2cccc(C#N)c2)c(OC)c1)c1ccc(Cl)cc1 488747718 JAHPDQUPRNELHR-HSZRJFAPSA-N 436.939 5.277 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N(Cc3ccccc3)C(C)C)o2)cc1 489745708 NYYPPPKQJKBAAR-GOSISDBHSA-N 437.565 5.219 30 20 IKED C=CCC[C@H](NC(=O)Nc1cccc(N2CCNC2=O)c1C)c1ccc(C(F)(F)F)cc1 489895847 HZPDWZQLVDFWNW-IBGZPJMESA-N 446.473 5.372 30 20 IKED Cc1c(C(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)sc2ccc(C#N)cc12 493919889 KWUGVBNJTGIAAG-IERDGZPVSA-N 441.959 5.297 30 20 IKED Cc1ccc([C@H](Nc2cccc(OCCCC#N)c2)c2cccc(S(C)(=O)=O)c2)cc1 494951795 NPXWDTAWNKBUTE-VWLOTQADSA-N 434.561 5.283 30 20 IKED Cc1nc(NC(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc23)sc1SCC#N 495129734 GJQBYIGBIGRZEJ-LLVKDONJSA-N 434.999 5.388 30 20 IKED Cc1ccc(-n2nc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)c3c2CCC3)c(F)c1 499603001 PYXYIOKZUVFFES-GOSISDBHSA-N 442.519 5.422 30 20 IKED N#C[C@@H](NC(=O)CSCc1cc(-c2cccs2)on1)c1cccc(C(F)(F)F)c1 505944741 VBQVFHVPTGZIEX-OAHLLOKOSA-N 437.468 5.036 30 20 IKED COc1cccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1OC 510045258 ODDYEZCXCUFWMH-FQEVSTJZSA-N 435.911 5.334 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OCC(F)(F)C(F)F)nc3)n2)cc1 511760359 WWNDPFVLFACZEF-HNNXBMFYSA-N 449.429 5.283 30 20 IKED COc1ccc(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc1OCCCC#N 513754939 OJEKAUQGUVAFOR-JOCHJYFZSA-N 435.351 5.258 30 20 IKED C=CCNC(=O)[C@H](C)Sc1nnc(-c2cc(-c3ccc(C)cc3)nc3ccccc23)o1 514319842 JBNAOVUQGZNHCN-INIZCTEOSA-N 430.533 5.043 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 515769683 IOFYAJLEJONHGL-UHFFFAOYSA-N 429.492 5.241 30 20 IKED CC(C)CC[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(Cl)cc1 516056065 XGEDKIWZRYVOFE-OAQYLSRUSA-N 425.960 5.373 30 20 IKED C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@H](OCCC)CC1 516817699 IMOKJDDORBBFMI-FQEVSTJZSA-N 437.613 5.349 30 20 IKED CC(C)c1ccccc1N(C(=O)[C@H](C)Oc1ccccc1C#N)c1nc2ccccc2s1 518199022 DZNAVKUBJMEOBV-SFHVURJKSA-N 441.556 6.424 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(F)cc(Br)c3)n2)cc1 518516480 GCWMPIKDABIEBV-MRXNPFEDSA-N 426.270 5.073 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 519878927 PRUFPSRXBFRXPT-NRFANRHFSA-N 441.940 5.797 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(COCc2ccco2)c1 520161388 AGPCJWJFMFUTMC-UHFFFAOYSA-N 431.536 5.236 30 20 IKED N#C[C@@H](NC(=O)CSCc1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 521353752 PTJMHUZHFGAUHJ-MRXNPFEDSA-N 443.288 5.082 30 20 IKED CCN(C)Cc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 522088226 MTSVEQOANFNXSX-UHFFFAOYSA-N 428.536 5.432 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c1 522290807 LWGLWLXDWTUYKV-OAQYLSRUSA-N 436.496 5.146 30 20 IKED Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 524128377 OOSJLJHEHLYFER-XUZZJYLKSA-N 439.559 6.050 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccc(F)c(F)c4)C3)cc2)cc1 524305304 FNRCZBXSEYFCRS-HSZRJFAPSA-N 435.430 5.234 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3nc(-c4cc(F)ccc4F)cs3)o2)cc1 524422381 MFTCKCKPZZQXNQ-UHFFFAOYSA-N 437.427 5.384 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(F)cc3Br)c2)cc1 524501133 ROUPGKVLCYQTEP-UHFFFAOYSA-N 425.257 5.291 30 20 IKED CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1 524503326 IPERSIZYTIDVBS-UHFFFAOYSA-N 447.922 5.181 30 20 IKED C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c2)C1 524656813 UOARMEGHMFUDOX-CJFMBICVSA-N 447.579 5.729 30 20 IKED CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1 525541261 KNQGWXIOOMELPP-UHFFFAOYSA-N 443.572 5.414 30 20 IKED CCN1CCc2nc(NC(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)sc2C1 534142174 RNWZXNJQCNSLPM-UHFFFAOYSA-N 438.940 5.091 30 20 IKED CC(=O)N(c1nc(CN(Cc2ccc(C#N)cc2)CC(C)C)cs1)c1ccc(C)cc1C 535167574 NGWVBIOQQHSGIS-UHFFFAOYSA-N 446.620 5.974 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NC3(c4ccc(F)cc4F)CCOCC3)c2)cc1 535536484 BMGUAVSQDGCORP-UHFFFAOYSA-N 449.457 5.456 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(CC(C)C)c3C(F)F)n2)cc1 536205180 QFRCCTUSNXYHFW-HNNXBMFYSA-N 430.480 5.099 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)N[C@@H](C#N)c3cccc(Br)c3)c(C)c2c1 536551951 MJQDDAFVQZERDK-IBGZPJMESA-N 439.309 5.020 30 20 IKED C=CCC[C@H](N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C(F)(F)F)cc1 537947159 KUVYLQYWVUBTFH-IERDGZPVSA-N 440.531 5.314 30 20 IKED COc1cccc(C2=CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)C2)c1 541092286 CYIGLFJYDYNCMB-UHFFFAOYSA-N 441.487 5.299 30 20 IKED CC(C)(C)c1cc(NC(=O)c2ncc(Br)cc2Br)c(C#N)s1 544697310 MYSWZHJPTYZEBW-UHFFFAOYSA-N 443.164 5.090 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)N[C@H](c1ccccc1)C1CCCCC1 548954806 QSZOWEVHWBGYPK-XMMPIXPASA-N 447.966 5.273 30 20 IKED N#C[C@H](C(=O)c1ccc(Br)c(OC(F)(F)F)c1)c1nccc2ccccc12 549570344 QLSNPHHOWGCTBF-AWEZNQCLSA-N 435.199 5.386 30 20 IKED N#CC1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2Cc2cccs2)CC1 555435444 HRXSVHNJRNQECF-UHFFFAOYSA-N 439.997 5.663 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 557335444 SMLUAHKCLURUBV-SFHVURJKSA-N 426.545 5.941 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CNC1(c2ccc(Cl)c(Cl)c2)CC1 557553683 HXVYAAPBVGTFNQ-CQSZACIVSA-N 434.392 5.605 30 20 IKED CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 559617744 ATRQOFMCIZYWPI-PELRDEGISA-N 445.485 5.047 30 20 IKED C[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1nc2ccccc2n1C 564256632 KMFCDPAKSQCEKL-HNNXBMFYSA-N 430.895 5.382 30 20 IKED N#Cc1ccc(NC(=O)CCN2CCc3sccc3[C@H]2c2cccs2)cc1Cl 564595491 ZXEQRPXMNZGKHE-NRFANRHFSA-N 427.982 5.311 30 20 IKED C=CCn1c(Cc2ccccc2Cl)nnc1N1CCC(n2c(C)nc3ccccc32)CC1 573142394 TVWFMIZCEMAUGO-UHFFFAOYSA-N 446.986 5.208 30 20 IKED CSc1nc(C2CC2)cc(C(=O)N(CCc2ccc(Cl)cc2)CC2CC2)c1C#N 580058519 MWDPLJZAQBEUEN-UHFFFAOYSA-N 425.985 5.301 30 20 IKED CCS(=O)(=O)c1ccc([C@H](C)NCCC(C#N)(c2ccccc2)c2ccccc2)cc1 580907654 SKKFHTAUEKCXHN-NRFANRHFSA-N 432.589 5.031 30 20 IKED C[C@@H]1C[C@H]1c1ccc(CN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C2CC2)o1 583782338 HLDAGKPLJOSVPR-WAIKUNEKSA-N 428.492 5.658 30 20 IKED C[C@@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)C(=O)Nc1ccc(F)cc1Cl 603818385 GOBNKCJSMYZTCA-GFCCVEGCSA-N 441.915 5.614 30 20 IKED CC(C)C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccs1 604085725 QJXYUXBFUQVDMV-QHCPKHFHSA-N 433.577 6.302 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(Cc4ccccc4F)n3)n2)cc1 605257588 QTFJQNHFAADEDF-QGZVFWFLSA-N 444.516 5.358 30 20 IKED CN(Cc1nccn1C(F)F)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609079502 FCXYIJBFSXYRBF-UHFFFAOYSA-N 445.857 5.046 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 609213501 QINSFCMZGNAFRY-QFIPXVFZSA-N 446.551 5.596 30 20 IKED Cc1ccccc1NC(=O)[C@H]1CCc2ccccc2N1C(=O)c1cc2ccccc2n1CC#N 609216018 DFAOHBPZFCLTMQ-RUZDIDTESA-N 448.526 5.074 30 20 IKED COc1ccccc1[C@H]1CCCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 609281434 GSIASGHJUXKABB-JOCHJYFZSA-N 428.492 5.513 30 20 IKED Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3SC[C@H](C)C#N)C2)c1 609378006 ODDXULFURHXYQP-WOJBJXKFSA-N 435.593 5.046 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 609436808 GXJBNFBAJFANRS-BTYIYWSLSA-N 442.009 6.707 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccc(C)cc2)cc1 609437030 LPRZUWDHTOVPCM-DFBJGRDBSA-N 445.588 6.309 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ncc(Cc4cc(F)cc(F)c4)s3)cc2)nc1 609498318 RWJLUPNJTVWFTD-UHFFFAOYSA-N 448.454 5.323 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3c(-c4ccccc4)ncn3C3CC3)c2)c1 609647565 CRGVTCRDFDOOHP-UHFFFAOYSA-N 434.499 5.588 30 20 IKED CCc1c(C)sc2nc(S[C@@H](C#N)C3CCCCC3)n(C[C@@H]3CCCO3)c(=O)c12 609648501 NOGJEBSYPUYSBP-WMZOPIPTSA-N 431.627 5.072 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(OCC2CCOCC2)cc1 609908700 RDPTVZPAOKBKJV-UHFFFAOYSA-N 444.556 5.767 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](CCO)c2ccccc2)cc1Cl 610142053 RVLWOBNZDMUFFF-NFBKMPQASA-N 433.939 5.283 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3C[C@H]3c3ccccc3OC(F)(F)F)cn2)c1 610152201 UOZLFNFBENBYQI-OALUTQOASA-N 439.393 5.386 30 20 IKED C=CCN(C(=O)[C@H]1C[C@H]1c1cccc(F)c1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 610169097 ALZBBPUKWLNBMV-IRXDYDNUSA-N 441.459 5.319 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 618848195 QXMOHDCFGONPNE-JOCHJYFZSA-N 444.362 5.243 30 20 IKED C=CCc1cc(CNC(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc(OC)c1OC 622949877 YSTXGQWOKPLWHM-OAQYLSRUSA-N 433.552 5.003 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 670196938 MVSNTTZZGJKYSE-OKILXGFUSA-N 438.803 5.352 30 20 IKED Cc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c(OCC(F)(F)F)c1 674560428 BJROAIIUSZZOFB-NXEZZACHSA-N 438.290 5.141 30 20 IKED Cn1ccnc1[C@@H](NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1F 676415562 PDKBGSDUWLCJSI-KRWDZBQOSA-N 431.355 5.476 30 20 IKED CCc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc(CC)cc2)cc1 726571075 DFJODMMQUMQFHT-UHFFFAOYSA-O 448.999 5.947 30 20 IKED COc1cc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)ccc1SC 726626675 JHPDBYRMCRNKKV-IUXPMGMMSA-N 432.979 5.348 30 20 IKED COc1cc(C)ccc1Oc1ccc(NC(=O)NCc2ccc(OCC#N)cc2)cc1F 727936812 YWGXSMLDYJDRKS-UHFFFAOYSA-N 435.455 5.159 30 20 IKED N#Cc1ccc(SCC(=O)OCc2csc(COc3ccc(Cl)cc3)n2)cc1 728675315 BTKJDPFTSZJNGV-UHFFFAOYSA-N 430.938 5.083 30 20 IKED C[C@H](OC(=O)CSc1ccc(C#N)cc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 728676747 ZYADAXKECJEDMR-LBPRGKRZSA-N 433.411 5.024 30 20 IKED Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C\c1c(C)nn(C)c1Cl 730148692 JSPKOJHZXKRKRQ-HJWRWDBZSA-N 436.762 5.472 30 20 IKED Cc1ccc(CC(=O)Nc2cccc([C@@H](C)OC(=O)[C@@H](C)Oc3ccccc3C#N)c2)cc1 731302238 YKPITCDILLJVKF-WOJBJXKFSA-N 442.515 5.120 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)/C=C/c1ccccc1Br 731341002 XYXPZALUKAIYRI-CMPYXILNSA-N 437.384 5.256 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1c(Cl)cccc1OC(F)F 732924428 ZWPZKZYDSANGRR-UHFFFAOYSA-N 445.878 5.570 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNCc2ccc(-c3cccc(Br)c3)o2)c1 733800362 NTUCEZOMIMJHKI-IBGZPJMESA-N 425.326 5.680 30 20 IKED Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2)co1 735266961 GKAHIVIFWADBNY-HSZRJFAPSA-N 429.501 5.106 30 20 IKED COc1ccccc1-c1ccc(C=Nn2c(S)nnc2COc2cc(C)cc(C)c2)cc1 741462070 KCXBBRREUGKARD-UHFFFAOYSA-N 444.560 5.320 30 20 IKED CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 741539915 WJIJZSGBGKBYHU-QFIPXVFZSA-N 431.923 5.842 30 20 IKED COc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1C#N 741849350 WSKAJFNONPBADH-DHDCSXOGSA-N 431.304 5.061 30 20 IKED CN(C)CCN(Cc1cccc(C#N)c1)C(=S)Nc1ccccc1Oc1ccccc1 743827021 AQCOLAUZINTFRE-UHFFFAOYSA-N 430.577 5.111 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)c(C(F)(F)F)c1 747204805 MVOAIFQQDKFRPO-JTQLQIEISA-N 435.616 5.627 30 20 IKED C[C@@H]1CN(c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)C[C@@H](C)O1 747395459 GNFAAQWVBSAHBC-RTBURBONSA-N 443.572 5.575 30 20 IKED Cc1cc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)c(C)n1[C@H](C)c1ccccc1 749613399 UZBAYDXAFRMURG-ZHRRBRCNSA-N 436.353 5.471 30 20 IKED O=C(O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cc(O)nc2ccc(F)cc12 750203723 KMWXDYNULGOHMA-MRXNPFEDSA-N 433.279 5.559 30 20 IKED CC[C@H](C)n1c(SCC(=O)[C@@H](C#N)c2ccc3ccccc3n2)nnc1-c1ccccc1 750390266 SNXUATADMSWCOQ-PXNSSMCTSA-N 441.560 5.433 30 20 IKED CC(C)CN(CCC#N)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 751382528 SEYVFDQHFBEABN-RGEXLXHISA-N 448.548 5.533 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2ccc(C)c(NC(=O)OC(C)(C)C)c2)cc1C#N 752194501 OXBGBMVRAGCBSO-UHFFFAOYSA-N 438.484 5.034 30 20 IKED N#Cc1cccc(COc2cccc(CN[C@H](C(=O)O)c3ccc(C(F)(F)F)cc3)c2)c1 756346313 BPCLDXOEANUWBS-QFIPXVFZSA-N 440.421 5.072 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(C(=O)Nc2ccccc2)cc1 759214630 ZQCYBQKDUOXDRA-QHCPKHFHSA-N 433.467 5.053 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3c(C(F)(F)F)ccnc3Cl)c2)cc1 759516327 GXNPEJOQIODPGX-UHFFFAOYSA-N 445.828 5.651 30 20 IKED Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3OCC#N)c3cnn(C(C)C)c3n2)cc1 760789077 DXONUXGZCMSZKA-UHFFFAOYSA-N 443.482 5.281 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3C[C@@H](O)c3ccc(F)cc3)cn2)c1 773260405 FOOJCDGCOXXVBH-JTHBVZDNSA-N 446.482 5.005 30 20 IKED CN(C(=O)Nc1ccc(F)cc1OCC#N)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 776476184 KPJDRDXGSJYCOM-HKUYNNGSSA-N 435.421 5.547 30 20 IKED C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc2ccccc2c1OC(F)F 777112757 IGZFBQGUWXNJNF-INIZCTEOSA-N 437.490 5.447 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCCCN3Cc3ccccc3)n2)cc1 779194762 NRSASOLUCPEBGK-FYYLOGMGSA-N 431.561 5.050 30 20 IKED CCOc1c(OC)cc(CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1OC 779594974 BJJSPWHZEYNGTF-UHFFFAOYSA-N 436.483 5.304 30 20 IKED COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5ccccc5O[C@H](C)C#N)(C4)C2)C3)cc1 780148844 MUUUUYXFXBIZSC-YYVGNMFYSA-N 430.548 5.463 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1ccccc1O[C@@H](C)C#N 780554256 ORGYMCSFKGPERP-SFHVURJKSA-N 426.476 5.381 30 20 IKED N#CCCN(Cc1ccco1)C(=O)C(=O)Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1 782893371 JXSJFJQFIXAUJK-UHFFFAOYSA-N 442.302 5.134 30 20 IKED Cc1cc(Br)cc(NC(=O)Cc2cccc(C#N)c2)c1NC(=O)OC(C)(C)C 784691620 MRFGOXHWCZJNCY-UHFFFAOYSA-N 444.329 5.157 30 20 IKED N#C[C@H](C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1nc2ccccc2[nH]1 786926271 NMYGHXZGSHZZDJ-CQSZACIVSA-N 440.290 5.119 30 20 IKED Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccccc2Br)sc2ccc(C#N)cc12 796624990 WQUVZMYLHRKEND-GFCCVEGCSA-N 443.322 5.028 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)OC(=O)c1cccc(C#N)n1 810599409 FRTILFFZUFBCHC-GFCCVEGCSA-N 428.311 5.066 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(CCCOC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c1 816013749 ZWQNBUFAWNUWAU-UHFFFAOYSA-N 449.429 5.109 30 20 IKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(-c2nc([C@@H]3C[C@@H]3C)no2)ccc1Cl 904822227 XIRVHCXOMIBVDI-SUMWQHHRSA-N 447.919 5.034 30 20 IKED CSc1ccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1 916272943 ODANJHCOQOKNNZ-UHFFFAOYSA-N 425.966 5.691 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(C(C)C)cc2)n1 916925585 OZNWVCVBPXMHEF-SFHVURJKSA-N 433.533 5.293 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4ccc(C)cc4)n3)n2)cc1 916975350 YEPSIBFFAYENEM-HXUWFJFHSA-N 429.570 5.969 30 20 IKED COc1cccc(CO[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 916976417 NWZLRJJKDVQDCK-KUHUBIRLSA-N 426.925 5.254 30 20 IKED C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042913 HZPMTPBNFHSRSK-SJKOYZFVSA-N 430.451 5.448 30 20 IKED COc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2Cl)ccc1OCC#N 917502397 WXAHKEYLYNHWMX-QFIPXVFZSA-N 437.858 5.161 30 20 IKED N#C[C@H](C(=O)COc1cc(Cl)c(Cl)cc1Cl)c1nc(-c2ccncc2)cs1 920264915 DCWMXTIVVMRXJS-LLVKDONJSA-N 438.723 5.421 30 20 IKED COC(=O)c1ccc(COc2ccc(/C=C3\Cc4c(Cl)cccc4C3=O)cc2OC)o1 921263950 LVTWRGOHTAUUNN-XNTDXEJSSA-N 438.863 5.130 30 20 IKED COc1ccccc1CN(Cc1ccccc1C(C)(C)C#N)c1ccc2nc(O)[nH]c2c1 1191781459 PFZNVQJCCXZDGV-UHFFFAOYSA-N 426.520 5.285 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)ccc3C(F)(F)F)CCC2)cc1 1785937466 HMNHQULUSLVGCM-UHFFFAOYSA-N 447.432 5.142 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4ccoc4c3)CCC2)cc1 1786367177 DCQPAJKJMQFIRC-UHFFFAOYSA-N 432.520 5.163 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCc3cccc(C)n3)cc2)CCC1 1786733569 GROCTTFDZCCTBC-UHFFFAOYSA-N 433.596 5.449 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cc(Cl)ccc34)cc2)CCC1 1788982250 CDKDNKUSEBYTLM-UHFFFAOYSA-N 433.939 5.373 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4nc[nH]c34)CCC2)cc1 1789451302 GHPAIFHKRXIXJO-FQEVSTJZSA-N 428.536 5.079 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(F)F)no3)CCC2)cc1 1789451647 PVXSQUKBUCZAJR-KRWDZBQOSA-N 429.467 5.128 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Nc3ccccn3)CCC2)cc1 1789626348 KYJACBUTQSWNRL-IBGZPJMESA-N 434.584 5.009 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2csc(C)c2C)[C@@H]1c1cccnc1 1806050126 GWNUWWIWKHMUQN-IRLDBZIGSA-N 439.625 5.072 30 20 IKED CC(C)[C@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)CC1 1822104747 RUQYICLFTRBJEP-JTAQYXEDSA-N 447.583 5.050 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C)cc2OC)n[nH]1 1823160273 QXDVUSLZIAAXMT-HXUWFJFHSA-N 438.572 5.025 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCC3CCCC3)[nH]n2)c1 1823211857 QGNIEALGPAQVOH-FDDCHVKYSA-N 447.583 5.313 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(C)CCCC3)CC2)c1 1823849111 VKFPMOWEKMMZFT-HYBUGGRVSA-N 435.612 5.127 30 20 IKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccsc2)CC1)c1ccccc1 1825794685 SCZFUGJCRRGODZ-RPBOFIJWSA-N 448.632 5.179 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C)c3ccccc23)CC1 1831862127 OIBLELKUDAQEQT-AREMUKBSSA-N 432.608 5.277 30 20 IKED C=CCn1c(SCC(=O)N(CCC#N)c2ccc(C)c(C)c2)nnc1-c1cccc(C)c1 11450687 SWFVPTDZTTVTBW-UHFFFAOYSA-N 445.592 5.095 30 20 IKED C=CCn1c(SCC(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)nnc1-c1ccncc1 18404675 CORJNJSORICIDO-QHCPKHFHSA-N 449.624 5.255 30 20 IKED COc1ccc(CCN/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2ccccc2)cc1 22801985 WDCCOYICRNBCIO-UHFFFAOYSA-O 447.624 5.051 30 20 IKED C=CCn1c(SCc2nnc(C(=O)Nc3ccc(CC)cc3)s2)nc2ccccc21 32321208 PWILXZLTBATQTE-UHFFFAOYSA-N 435.578 5.181 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@@H](C)c1ccc2ccccc2c1 32787178 CVZDNEAUSOMUDB-IBGZPJMESA-N 442.588 5.178 30 20 IKED Cc1ccc(C#N)cc1NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 63962452 ORJJWEYOIHREOL-UHFFFAOYSA-N 434.293 5.134 30 20 IKED C=CCn1c(SCc2noc(C(C)C)n2)nc2sc(-c3ccccc3)c(C)c2c1=O 64653088 IAHRGJPZUUQXRN-UHFFFAOYSA-N 438.578 5.418 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)c1ccc(OC(F)F)cc1 72031382 IHHCYSSJIKGVSB-CQSZACIVSA-N 435.471 5.637 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C 107869623 HOWAJZIQGCDVDI-LJQANCHMSA-N 429.520 5.892 30 20 IKED CC[C@H](C#N)Oc1cccc(CNCc2cn(-c3ccccc3)nc2-c2ccccc2C)c1 236900808 MEUIUNRAAWKDIS-RUZDIDTESA-N 436.559 5.819 30 20 IKED CCOc1cc(CN[C@H](C)c2cccc(C#N)c2)cc(Br)c1OC(F)F 237015131 CKJUVOUSWOKHSU-GFCCVEGCSA-N 425.273 5.172 30 20 IKED C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(NC(=O)NC2CC2)cc1 237453962 KNFHEYFFJJJUCW-LJQANCHMSA-N 440.547 5.272 30 20 IKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)Nc1ccc(F)c(C#N)c1 303213643 SJYHKVUQANHYSV-UHFFFAOYSA-N 439.512 5.400 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 303312569 GBOOURONQRUXDZ-GFCCVEGCSA-N 434.011 6.100 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 303894685 PFXJBSWKUUWGCR-HNNXBMFYSA-N 429.973 5.829 30 20 IKED Cc1cccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)c1I 323029950 VZKMPCKDDZQVCH-UHFFFAOYSA-N 436.318 5.054 30 20 IKED Cc1c(-c2nc(Cc3nc(O)c4c(C5CC5)csc4n3)no2)sc2ccc(C#N)cc12 426442185 JJSBRVPRAWEPAG-UHFFFAOYSA-N 445.529 5.310 30 20 IKED C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1nc(Cc2ccccc2)no1 429073739 KURUBPLVIZAUBO-QGZVFWFLSA-N 439.475 5.207 30 20 IKED C[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)C(c1ccccc1)c1ccccc1 432569817 RCXWLMLFBLZWES-FQEVSTJZSA-N 425.532 5.004 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccccc1 432918069 RCTWOPPFJHMZDZ-XMMPIXPASA-N 437.503 5.367 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)c2)cc1 436316685 JHPZSXOVWANXFA-UHFFFAOYSA-N 431.451 5.598 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)Nc1ccc(SC2CCCC2)cc1 437441471 IOQPCMLCNPVMTC-INIZCTEOSA-N 439.606 5.693 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1cccc(Oc2ccc(C#N)cc2)c1 439605028 VKJOVVOKZFWQGG-LJQANCHMSA-N 440.503 5.106 30 20 IKED CC(C)(C)CNC(=O)c1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 442670766 JZCQQNUJACWWQX-INIZCTEOSA-N 425.941 5.216 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)c2ccccc21 443953005 PXBDZJIWNAADRM-UHFFFAOYSA-N 446.894 5.696 30 20 IKED N#Cc1ccc(N2CCN(C(=O)Nc3ccccc3CCC(F)(F)F)CC2)c(Cl)c1 444913668 UKMJRQOCAXFZGL-UHFFFAOYSA-N 436.865 5.061 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1cnn(C2CCCC2)c1C)c1ccc(C(F)(F)F)cc1 446601814 QPTVIGQQDNUHQP-IBGZPJMESA-N 448.489 5.088 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2CCN(c3ccccc3Cl)C2)cc1 463462415 WGUYDZRFJCZZJD-HXUWFJFHSA-N 445.950 5.450 30 20 IKED CC(C)c1noc(CCC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)n1 464293168 FYAAUZSTTMUFNE-UHFFFAOYSA-N 444.413 5.447 30 20 IKED CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1ccc(F)c(C#N)c1 468269848 IIIBZCVVEXCCSE-UHFFFAOYSA-N 427.829 5.219 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N(CCC(F)(F)F)CC(F)(F)F)c1 468532050 YFVKERRVNDUKFZ-UHFFFAOYSA-N 430.348 5.094 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 472143984 KRHJIBHUMIDSLG-JTHBVZDNSA-N 428.488 5.418 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)n1 474445448 MAVKVXZFZSZOQC-JTQLQIEISA-N 439.850 5.009 30 20 IKED CC(C)(C#N)c1ccc(C(=O)Nc2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)cc1 475321477 ZIGSTEDNCOJUHQ-UHFFFAOYSA-N 440.330 5.257 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)C[C@H](CC#N)c2ccccc2)nc1-c1ccccc1 476069657 BOZZWVZJGKQPRE-GOTSBHOMSA-N 427.548 6.216 30 20 IKED COc1ccccc1-c1csc(C2CCN(C(=O)C[C@H](CC#N)c3ccccc3)CC2)n1 477016079 CCSCHHYFPLDAMY-NRFANRHFSA-N 445.588 5.612 30 20 IKED CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 477475958 ZBONUWLFXDHQTP-UHFFFAOYSA-N 448.542 6.159 30 20 IKED C=C(C)[C@H](NC(=O)C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1)c1ccc(F)c(F)c1 477659876 IVVVCSPNXCHBGW-NRFANRHFSA-N 441.478 5.067 30 20 IKED Cc1sc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2C#N)nc1-c1ccc(Cl)cc1 479204999 DNEOJJLAOBBSEG-KGLIPLIRSA-N 425.941 5.288 30 20 IKED CC(C)CN(C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@@H]1CCCc2cccnc21 481261399 RTVBZJPUCSXKTJ-OAQYLSRUSA-N 448.958 5.360 30 20 IKED Cc1nc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2n1C 483483241 DZSPLRLRASNIQE-OAHLLOKOSA-N 441.343 5.802 30 20 IKED C=CCSc1ccccc1C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 485461956 LWWSGXGWSUYDHX-AWEZNQCLSA-N 441.906 5.041 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(Cl)c(F)c2)cc1Cl 485708645 IASAVSYVZHOBGB-QGZVFWFLSA-N 442.277 5.365 30 20 IKED COc1cccc(/C=C(\CC(=O)NCc2cccc(C#N)c2)c2nc3ccccc3s2)c1 487540427 JJLIYOIEJVDAIT-FYJGNVAPSA-N 439.540 5.424 30 20 IKED C=CCOc1c(Br)cc(CNc2cccc(-c3ncco3)c2C)cc1OC 491579847 VMWBKXXZJIOGRL-UHFFFAOYSA-N 429.314 5.598 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1CC 499368255 ITNQAJZLDXETHE-UHFFFAOYSA-N 445.013 5.627 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@@H](CO)c1cccc(Br)c1 499894122 KRZGLKVUUNTUQK-KDOFPFPSSA-N 448.386 5.041 30 20 IKED Cc1noc(C)c1COc1ccc(CC(=O)Nc2nc(-c3cccc(C#N)c3)cs2)cc1 501129120 KVPCFRRHQWNLCX-UHFFFAOYSA-N 444.516 5.047 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)NCCOc2ccccc2-c2ccccc2)o1 501702626 OYZBTSFAZTXYQI-UHFFFAOYSA-N 438.483 5.206 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](CC1CCCC1)c1ccccc1 503653853 SRHGFMWWAIKRPS-PGRDOPGGSA-N 435.593 5.315 30 20 IKED CCCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H](C)CC(=O)Nc1ccccc1 505309670 FGNSWTZKQBQLIL-OALUTQOASA-N 438.597 5.742 30 20 IKED CC(C)c1c(C(=O)N[C@H](C#N)c2ccccc2Cl)cnn1-c1ccc(C(F)(F)F)cn1 505693893 IZGMOSDUSJNNPI-QGZVFWFLSA-N 447.848 5.058 30 20 IKED N#C[C@H](NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccc(Cl)cc1 505821747 QHVLJEGGCMBJEZ-KRWDZBQOSA-N 435.858 5.406 30 20 IKED C=CCn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N(C)Cc1nccs1 508856073 JOXAWPKBIBCEEX-UHFFFAOYSA-N 428.521 5.032 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 510653151 ZLPNCXFPMOOANB-OAQYLSRUSA-N 440.528 6.329 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)cc1 510702035 PJUMIIXJRDPVDI-DEOSSOPVSA-N 427.504 5.564 30 20 IKED C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 512319458 HZVDHABLXHGAHE-BVZFJXPGSA-N 441.506 5.134 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 513209880 HLQBGNCNHRIWCG-OAHLLOKOSA-N 447.413 5.352 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@@H](C)Oc1ccccc1C#N 518041689 WPQSERPQPMHWPF-DZGCQCFKSA-N 425.941 5.288 30 20 IKED C=CCn1c(SCc2c(C)cc(C)nc2OCc2ccccc2)nnc1-c1cccnc1 518417149 UCXVTRKQMRVQMM-UHFFFAOYSA-N 443.576 5.409 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 518740371 XVGOAULTWYVXKC-NSHDSACASA-N 432.389 6.371 30 20 IKED Cc1cccc(N(CCC#N)S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 519453741 NUNLMRSVCQAXAB-UHFFFAOYSA-N 436.377 5.142 30 20 IKED C[C@H]1CN(Cc2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)cc2)C[C@@H](C)O1 519977925 KGYWCTVFGJIZTH-BGYRXZFFSA-N 441.531 5.212 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC 520473694 HNHYIPTYAFSHAZ-GOSISDBHSA-N 445.519 5.949 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc(C(F)(F)F)cc1 520835728 TZWJSAXEOXUVAN-UHFFFAOYSA-N 432.389 5.911 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N(CC(F)(F)F)c2ccccn2)c1 522640627 RJZLTRBPBKNBDG-UHFFFAOYSA-N 431.801 5.608 30 20 IKED CCN(CC)[C@@H](C(=O)Nc1nc(C)c(SCC#N)s1)c1cccc(C(F)(F)F)c1 524367706 ZHDWMKMBKOMFLT-OAHLLOKOSA-N 442.532 5.108 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(OC[C@@H]2CCCO2)c1 524388711 UVDSKIUEAQENHQ-VWLOTQADSA-N 442.515 5.256 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 539179879 ITFGEGAWGQIZCK-LVXARBLLSA-N 425.532 5.192 30 20 IKED Cc1noc(C)c1NC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 541179110 JDSBXJKUMBDMAG-GFCCVEGCSA-N 449.273 5.754 30 20 IKED Cc1sc([C@H](C)NCC(=O)N(C)C2(C#N)CCCCC2)nc1-c1ccc(Cl)cc1 542574549 OWLSCTHFEOUIHJ-HNNXBMFYSA-N 431.005 5.107 30 20 IKED CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 555885169 MUKNKYJEXGRHGS-GFCCVEGCSA-N 435.330 5.617 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C(=O)c2ccccc2)CC1 571181967 CCGRNBJMBNZGMW-IBGZPJMESA-N 448.542 5.233 30 20 IKED O=C(N[C@H](CO)CC(F)(F)F)c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1 579408790 QEUZINFRFFPDOU-LBPRGKRZSA-N 441.368 5.039 30 20 IKED C[C@H](NC(=O)Cc1noc(C[C@@H](CC#N)c2ccccc2)n1)c1ccc(Cl)cc1Cl 589151326 ITSOHLIDPPFGOC-GOEBONIOSA-N 443.334 5.036 30 20 IKED C=C(C)COc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)c1 589385045 WAZOCVCUAKMTCU-UHFFFAOYSA-N 442.972 5.304 30 20 IKED CCCc1c(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)nnn1-c1cccc(Cl)c1 598368966 OIOLDSBGNZSAKF-OAHLLOKOSA-N 439.903 5.112 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(-c4cccnc4)n3)cc2Cl)cc1 604027103 FKHGXMHWDXTPEA-UHFFFAOYSA-N 446.919 5.704 30 20 IKED N#C[C@@H](C(=O)c1cccc(-c2cscn2)c1)c1nc2cc(C(F)(F)F)ccc2s1 608552885 LAULIEYRPVFLOQ-AWEZNQCLSA-N 429.448 5.929 30 20 IKED Cc1ccc(-c2nnc(NC(=O)c3occc3COc3cccc(C#N)c3)s2)c(C)c1 608806478 KTUVKMBVBLYIFO-UHFFFAOYSA-N 430.489 5.118 30 20 IKED Cc1ccc(-c2nnc(SCC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)o2)c(C)c1 608930446 WMHLEXQVXIGMPJ-UHFFFAOYSA-N 440.956 5.354 30 20 IKED COc1ccc(C[C@@H](C)NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC 609322543 RQVSFKYNFWMULP-QGZVFWFLSA-N 431.492 5.120 30 20 IKED CC1CCC(OC2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)CC2)CC1 609399382 WCIFCHUEYLRYGD-UHFFFAOYSA-N 434.540 5.337 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)cc2)c1 609434206 DSCKIGRGRSWTAS-FQEVSTJZSA-N 440.503 5.233 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)COC(c2ccccc2)c2ccccc2)CC1 609509127 YDCZCWHONICZSN-UHFFFAOYSA-N 440.543 5.171 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccccc3NC(=O)N3CCCC3)c2)c1 609660291 YILCQHYSEAOYNT-UHFFFAOYSA-N 440.503 5.017 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 609844644 OHBXQOMOHHFQKM-HXUWFJFHSA-N 431.496 5.155 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)c1cccc(C#N)c1 610052257 TVTGDZNGYNMWDC-GFCCVEGCSA-N 426.339 5.244 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NC1(c2cccc(Cl)c2)CC1 610150098 RWJCRFPQQNNZNZ-UHFFFAOYSA-N 445.906 5.056 30 20 IKED Cc1cnc(CCN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)s1 611109587 UPQYIDIMPISHBF-UHFFFAOYSA-N 426.929 5.475 30 20 IKED CC(C)N(Cc1ccc(NC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1)C[C@H]1CCCCO1 611622691 KBGFRNCUGFAXHK-NBGIEHNGSA-N 434.584 5.220 30 20 IKED C=C(C)CN(CC)C(=O)NC[C@@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12 612190098 ICEKPEPSFSZUNO-NRFANRHFSA-N 435.568 5.315 30 20 IKED COc1ccc(C#N)cc1NC(=O)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1 612567584 SJCQDBOMGBKXMU-HNNXBMFYSA-N 442.235 5.145 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)c1ccc(OC2CCCC2)c(OC)c1 615674903 LFXWYJRWQQPYIQ-GOSISDBHSA-N 426.532 5.615 30 20 IKED Cc1c(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)sc2ccc(F)cc12 618643240 LPLJJRHFDRRYKW-UWVGGRQHSA-N 427.385 5.988 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(F)c1Br 644890247 AEPNHVSMFLEXIS-BRPSZJMVSA-N 436.165 5.228 30 20 IKED COc1ccc(C(=O)/C=C\c2ccc(-c3cccc(Br)c3)o2)cc1NC(C)=O 726428991 QZRCGEVKSVNHDZ-CLFYSBASSA-N 440.293 5.572 30 20 IKED C#Cc1cccc(NC(=S)N(Cc2ccc(Cl)c(Cl)c2)C[C@@H](C(C)C)N(C)C)c1 726478896 OSFCUTUOQTXNDP-QFIPXVFZSA-N 448.463 5.760 30 20 IKED N#Cc1ccc(NC(=S)Nc2ccc(NC(=O)N3CCCCCC3)cc2)cc1Cl 726488360 RHEUCKXCGBDSBS-UHFFFAOYSA-N 427.961 5.428 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(CC(C)C)cc2)[n+]2cccc(O)c2)c1 726573311 XASRYXPJWFEBBH-UHFFFAOYSA-O 429.565 5.183 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1(NC(=O)OC(C)(C)C)CCCC1 727147619 AFNSDGPUNZBXBT-UHFFFAOYSA-N 435.524 5.435 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccoc3COc3ccc(C=O)cc3)c2)cc1 731631948 KRDLSPFEWAIJDY-UHFFFAOYSA-N 438.439 5.587 30 20 IKED COc1ccc(CNC(=O)[C@@H](C#N)C(=O)c2sc3cc(C(C)C)ccc3c2Cl)cc1 732707969 ICYDXZUCOSZQMO-SFHVURJKSA-N 440.952 5.326 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccoc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 739156705 PMTPXORIVKOUHZ-CYBMUJFWSA-N 433.436 5.451 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)OC(=O)CCc1c(C)nc(O)c(C#N)c1C 739306328 UIZIVCRKKIAGQW-OAHLLOKOSA-N 439.512 5.084 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC[C@H]1NC(=O)OC(C)(C)C 741059938 WWONCYQDGNDPGP-YFXJRYMSSA-N 448.567 5.109 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1nc2ccccc2n1C(F)F 741429713 GBZSNRSAOVBPOK-MGPQQGTHSA-N 435.352 5.310 30 20 IKED C=C(C)COc1cccc(NC(=O)c2cc(Cl)c(NC(=O)OC(C)(C)C)cc2OC)c1 742624523 VLXNABYEGONCKT-UHFFFAOYSA-N 446.931 5.903 30 20 IKED COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)[C@@H](C#N)c1nc2ccccc2o1 744041209 TXHCFXPHMHOZKH-CYBMUJFWSA-N 441.871 5.327 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=S)NCCSc1ccc(Cl)cc1 745707923 VNCGKIHIGWXQSB-UHFFFAOYSA-N 438.021 5.885 30 20 IKED CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2cc(C#N)cs2)NC(=S)N1c1ccccc1 747959607 BJDOIDPWDKDLOG-JOCHJYFZSA-N 444.585 5.277 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1C#N 752308304 QUZKDKYJDYXPCH-UHFFFAOYSA-N 436.512 5.199 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccsc2)N([C@H]2CC23CCCC3)C1=O)Nc1ccccc1F 757922483 ZCSJYZXICANWNJ-ROUUACIJSA-N 443.569 5.180 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](O)c2cc3ccccc3s2)cc1 758220246 DGFQHHPSZPLQPA-YADHBBJMSA-N 427.529 5.412 30 20 IKED CCC[C@@H](NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)c1cccc(C(F)(F)F)c1 761688178 TYOBYEYAJGSZMM-RTWAWAEBSA-N 431.458 5.201 30 20 IKED Cc1nc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc2s1 763933880 XEYZCMPYGQCFHG-GOSISDBHSA-N 427.485 5.358 30 20 IKED CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 764563182 UUBHYJWRPAGAAQ-HUUCEWRRSA-N 445.972 5.163 30 20 IKED Cc1ccoc1C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 764754970 NDUJXBSWNFPPJS-UHFFFAOYSA-N 440.180 5.186 30 20 IKED C[C@H](OC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)N[C@@H](C)c1cc2ccccc2o1 769544674 RUQURBINRIHHRL-ROUUACIJSA-N 443.503 5.114 30 20 IKED CC[C@H](C#N)Oc1cccc(CN[C@@H]2c3cc(Br)ccc3SC[C@H]2C)c1 775406978 BEWIUIMXCWLGCQ-ZVGUJKQYSA-N 431.399 5.703 30 20 IKED C=CC[C@@H](C(=O)OCc1csc(CC(=O)Nc2cc(C)ccc2C)n1)c1ccccc1 778418000 JOAGIYAVBXBWJT-OAQYLSRUSA-N 434.561 5.344 30 20 IKED C=CC[C@H](OC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 778738973 LHTOFXSOTBLSFJ-NRFANRHFSA-N 431.454 5.418 30 20 IKED Cc1cc(/C=C/C(=O)c2cc3c(s2)SCC(=O)N3)cc(C)c1OCc1ccccn1 779462441 MMQFASULHHVORC-VOTSOKGWSA-N 436.558 5.279 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)NCCCCSc1ccccc1Br 780667441 HXPCSDJPFOPLFN-OAHLLOKOSA-N 448.386 5.434 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 780668132 RAGJDXCTUIFBDN-OAHLLOKOSA-N 448.350 5.607 30 20 IKED CC(C)[C@@H]1C[C@@H](CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CCO1 781783904 XWFOCFAMVQRDPM-PSGMQZRDSA-N 437.392 6.134 30 20 IKED CCOc1cccc2[nH]cc(CC(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c12 783069018 DGANORGEOCDVKX-AWEZNQCLSA-N 443.450 5.614 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=S)Nc1ccc(F)cc1F 789386236 IIPHPWWRUFWYKL-UHFFFAOYSA-N 428.348 5.831 30 20 IKED CC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)[C@@H](C#N)c2nccc3ccccc23)CC1 792094544 FOVFWIPPIQTKQT-NRFANRHFSA-N 444.535 5.098 30 20 IKED N#C[C@@H](C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1nccc2ccccc12 792095617 VZWOZOMPTZYYIK-UYAOXDASSA-N 438.314 5.023 30 20 IKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CC(F)(F)F)cc1 799220325 CJKGHSBAXVVJPW-GOSISDBHSA-N 449.498 5.080 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccccc2)cn1 799552387 SWVLVZUHTWKQMG-QGZVFWFLSA-N 447.516 5.064 30 20 IKED C#CCN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 806182528 VTCNFIQWFBLIQL-UHFFFAOYSA-N 441.409 5.218 30 20 IKED N#Cc1cc(Oc2ccc(NC(=S)Nc3ccc(SC(F)F)cc3)cc2)ccn1 811707637 GERWZQLVLBFPSH-UHFFFAOYSA-N 428.489 5.869 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)S1 817916366 XGLPWYWGUZQALT-XDHOZWIPSA-N 435.530 5.832 30 20 IKED CC(C)(C)OC(=O)N[C@H](CCCCC#N)c1nc(-c2ccsc2C(F)(F)F)no1 904922778 KCAHRKMGYFIBKN-GFCCVEGCSA-N 430.452 5.467 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915087253 RDTZKTWINIXTKA-HSZRJFAPSA-N 440.934 5.801 30 20 IKED O=C(Nc1ccc(-c2ccccc2)cc1F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 915350947 NCNYGRMOBQXSGC-ZSHCYNCHSA-N 448.382 6.524 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccccc3)n(-c3ccccc3)n2)cc1 916913075 LZKZPPXGINVQIM-QHCPKHFHSA-N 434.499 5.063 30 20 IKED CC(C)(C)c1ccc(OCCCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1 917041599 VONAABIWDWGAED-GOSISDBHSA-N 425.479 5.764 30 20 IKED Cc1cc(-n2c(C)cc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2C)no1 917043424 LWNBPHLCAHEFPQ-OAHLLOKOSA-N 444.438 5.509 30 20 IKED N#C[C@@H](C(=O)c1csc(COc2ccc(F)cc2)n1)c1nc2cc(Cl)ccc2s1 917047288 WGWPCJQBKBHBST-AWEZNQCLSA-N 443.912 5.614 30 20 IKED C[C@H](Nc1ccc(N2CCCC2)c(F)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 917939172 QDGRWKTXKLQWPU-HNNXBMFYSA-N 426.561 5.067 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cccc(NC(=O)C2CCCCC2)c1 920105342 CAYKXLYCCCMBFG-NRFANRHFSA-N 427.504 5.201 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CCc3c(C)noc3C)cc2)CCC1 1786908364 VUXLCSVIRUDPNT-UHFFFAOYSA-N 435.568 5.127 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C)nc3)CCC2)cc1 1789453239 QLBHESKBBGXPPY-XMMPIXPASA-N 431.580 5.225 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)CCC1 1790278360 QDUFGAMNFJAFNP-UHFFFAOYSA-N 429.442 5.003 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccc(OC)cc4[nH]3)CCC2)cc1 1791247640 CIJKTNLAMIWEAQ-QGZVFWFLSA-N 431.536 5.136 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ncc[nH]4)cc3)CCC2)cc1 1791252550 VLSANHNCKRIKIR-SFHVURJKSA-N 428.536 5.037 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccoc4Cl)CCC3)cc2)c1 1792124840 LQEYMQGWYBSIGP-INIZCTEOSA-N 447.922 5.622 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)C2)CC1 1805291777 PNVITJBWITZXLP-XZOQPEGZSA-N 440.603 5.153 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H](CC)c2ccccc2)[C@@H]1c1cccnc1 1806273097 ZNTVQWMQCQTQEI-ZJSPYRCASA-N 445.607 5.050 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3cnccc3c2)[nH]n1 1819305881 QOWAVLJEPADUJO-FYYLOGMGSA-N 443.551 5.032 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccccc3n2C)[nH]n1 1819554854 RNSRWSBUHMHXPR-NRFANRHFSA-N 447.583 5.200 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCC3CCCC3)[nH]n2)c1 1823211861 QGNIEALGPAQVOH-JPYJTQIMSA-N 447.583 5.313 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](CCC)n2cccc2)CC1 1824141667 ZITGGMOVOYGYKS-JWQCQUIFSA-N 439.644 5.217 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3cc[nH]c23)CC1 1828317678 JWDNFPFHCAVXPD-ISKFKSNPSA-N 433.596 5.170 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cccc3c2oc2ccccc23)C1 1845736282 FDGGHOFEMOVXJK-IBGZPJMESA-N 428.532 5.171 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cccc(Cl)c1)=C(/S)Nc1ccc(C)c(F)c1 11082831 OTCGZVYEAKPEME-UHFFFAOYSA-O 427.952 5.688 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(C)ccc2OC)nnc1-c1ccc(Cl)cc1 16862758 TYGSMZDXSXVYAH-HNNXBMFYSA-N 442.972 5.221 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccc(OC(F)F)cc2)o1 20065778 BBJOVIBJYNOXTN-UHFFFAOYSA-N 449.504 5.347 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)NCc2ccccc2)cc1 22730627 ALBLZVWUIFDQSR-UHFFFAOYSA-O 444.407 5.572 30 20 IKED Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1cccc(OCCCC#N)c1 59770538 DQYKXSGWINPFOB-UHFFFAOYSA-N 436.515 5.783 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(C3SCCS3)c2)c1 59994233 XMCBTJFIRMNQIO-UHFFFAOYSA-N 432.570 5.868 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 63394138 YLENEVIAHVHFIS-UHFFFAOYSA-N 445.401 5.019 30 20 IKED N#Cc1cc(NC(=O)c2cccnc2Oc2ccc(F)cc2Br)ccc1F 97544219 YOZRBBRKTWWLTF-UHFFFAOYSA-N 430.208 5.039 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(N3CCC(O)CC3)cc2)ccc1OCc1ccccc1 97552580 ATCYOJZMMXBYMQ-NTUHNPAUSA-N 443.543 5.131 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)c1 108826565 PLQRXHUGKUSZMB-UHFFFAOYSA-N 448.482 5.037 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(Oc3cccnc3)cc2)cc1 115881414 KKWCQLTYBUMSFZ-UHFFFAOYSA-N 435.483 5.771 30 20 IKED CCOc1cc(/C=C2/Cc3ccc(C)cc3C2=O)ccc1OCC(=O)Nc1ccccc1 303269747 HAKAHIYXBJPBDL-STZFKDTASA-N 427.500 5.234 30 20 IKED N#CCCCS(=O)(=O)NC[C@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 303460253 LIAFNNQPNHRLEZ-HSZRJFAPSA-N 443.572 5.190 30 20 IKED CCn1cc(C(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)c(C(F)(F)F)n1 410171141 KZIPQIIMQHMVEZ-UHFFFAOYSA-N 437.359 5.042 30 20 IKED CC(=O)Nc1cccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 410171657 UNNRMGJEZNCHKS-QFIPXVFZSA-N 432.911 5.276 30 20 IKED Cc1cc(C)cc([C@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 410422278 XSTPSCHRBIGXFG-MBSDFSHPSA-N 445.950 5.428 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 426087440 XHCZXEQACHAYSL-UHFFFAOYSA-N 434.883 5.331 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2c(F)cc(F)c(F)c2F)cc1 430962254 GWAKMJXHUHHHJS-UHFFFAOYSA-N 445.391 5.166 30 20 IKED N#Cc1cccc(-c2cc(C(=O)N3CCC[C@@H]3c3ccc(Br)c(F)c3)on2)c1 431161530 YQNKAGAODJOCJT-LJQANCHMSA-N 440.272 5.092 30 20 IKED Cc1nc([C@@H]2CCCOC2)sc1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 431337104 LZIVRDPTMNOELX-OAQYLSRUSA-N 449.551 5.199 30 20 IKED CCO[C@@H](C)c1nc(CN(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cs1 438037185 UILQQALGJJFCCC-INIZCTEOSA-N 436.537 5.568 30 20 IKED CC(C)(CO)[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1 438161971 APCCOBAIYQRVLS-DEOSSOPVSA-N 444.600 5.383 30 20 IKED COCCN(CCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438664889 OEUNVMKTBVBBCF-UHFFFAOYSA-N 433.483 5.213 30 20 IKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@@H](CCC#N)c1ccccc1 439300371 DORJKLAEHQVDEE-QFIPXVFZSA-N 427.508 5.806 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3OC)cc2)c1 439350045 MANCVELVXUVDAR-UHFFFAOYSA-N 432.476 5.020 30 20 IKED Cc1nn(-c2ccc(C(=O)N[C@H](CCC#N)c3ccccc3)cc2)c(C)c1Br 439673124 MVXAMNCJFUYZJZ-HXUWFJFHSA-N 437.341 5.027 30 20 IKED N#CC1CCC(CNC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1 441149837 XPKRTZVFOXNIHK-UHFFFAOYSA-N 430.335 5.305 30 20 IKED C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 441639861 VLPWAVZGLCQKCI-JTQLQIEISA-N 444.240 5.042 30 20 IKED COc1ccc([C@@H](C)NC(=O)c2cn(CCCC#N)c3ccccc23)cc1Br 443922809 OWVTXOLOCUNPLZ-OAHLLOKOSA-N 440.341 5.207 30 20 IKED N#Cc1ccc(Oc2ccc(N3C(=O)CN(Cc4ccc(F)cc4)C3=O)cc2Cl)cc1 445989447 UYVBKBFHTGXYLG-UHFFFAOYSA-N 435.842 5.112 30 20 IKED CCCOc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 446751221 KGOULRSDKDWRPC-UHFFFAOYSA-N 429.476 5.025 30 20 IKED Cc1ccc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)c(OCC(F)(F)F)c1 446855854 KJVBKBHFOWPYCU-OAHLLOKOSA-N 437.487 5.510 30 20 IKED Cc1ccc(-c2c(C)sc3nc(CN4CCC[C@@]5(CCCCO5)[C@H]4C#N)nc(O)c23)cc1 447911675 FJKLWJMCXJZJLM-CLOONOSVSA-N 448.592 5.108 30 20 IKED CCN(c1ccccc1)c1ccc(CNC(=O)N(CCOC)Cc2ccc(C#N)cc2)cc1 466226432 OFXCYZWPIDNGFM-UHFFFAOYSA-N 442.563 5.074 30 20 IKED CC(C)(C#N)c1ccccc1CN(Cc1cccc(Br)c1)C1CCOCC1 467297984 BELUSLZRCSWBQG-UHFFFAOYSA-N 427.386 5.431 30 20 IKED Cc1csc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1I 468913835 JOTLEMZMTUNRCK-JTQLQIEISA-N 442.347 5.165 30 20 IKED Cc1nc2c(s1)CCC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 469414994 YUXDWWCLXFBKQG-ZDUSSCGKSA-N 425.501 5.535 30 20 IKED C=CCCCCNC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 471703507 WEHNVWYMQQHPPO-UHFFFAOYSA-N 440.775 5.044 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2ccc(COc3ccc(Br)cc3)o2)n1 474435630 VUWHVGAZBIAEOS-MRXNPFEDSA-N 445.338 5.691 30 20 IKED C=CCOc1c(Br)cc(CNCc2ccc3ncccc3c2)cc1OCC 475335755 XRRVVYAOHBVMED-UHFFFAOYSA-N 427.342 5.251 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)cc1 476476102 KYXVBKFUQZXQGQ-LJQANCHMSA-N 434.584 5.403 30 20 IKED CCc1c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cnn1C(CC)CC 478862218 WYTZXUMEADTWAW-UHFFFAOYSA-N 429.524 5.183 30 20 IKED C=CCCCC(=O)Nc1ccc(C)c(NC(=O)c2ccccc2I)c1 479546420 SAQWVKCCJWAKEB-UHFFFAOYSA-N 448.304 5.147 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)nnc1-c1ccco1 481848869 ZBMWAGOFYFTZFE-UHFFFAOYSA-N 449.536 5.117 30 20 IKED O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)N(CCC(F)(F)F)CC1CC1 482348911 RQMJEZVOKVZTBC-CYBMUJFWSA-N 436.318 5.683 30 20 IKED N#Cc1ccc(SCC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1 483355973 SGTBAACRUJDNNI-UHFFFAOYSA-N 427.957 5.005 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 483456595 QVJQFYBDLHXALA-OAQYLSRUSA-N 444.535 6.104 30 20 IKED CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 492492807 XCKWAWAVVGROSE-UHFFFAOYSA-N 444.969 5.152 30 20 IKED C=CCN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 497549942 HQCVEPDTRMCIGX-ZWKOTPCHSA-N 441.459 5.319 30 20 IKED COc1ccc([C@H](NCCCC2(C#N)CCOCC2)c2ccc(C(F)(F)F)cc2)cc1 499621494 ZXQABAUZQIVJCK-JOCHJYFZSA-N 432.486 5.494 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 500095482 BAVXZDWHBJLHEP-UHFFFAOYSA-N 431.920 5.626 30 20 IKED Cc1cc(-c2cc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c3c(C)noc3n2)c(C)o1 503955601 INXRIZLIMBSESA-UHFFFAOYSA-N 438.487 5.209 30 20 IKED C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 511413496 HUDCESXMEVSTLC-FGZHOGPDSA-N 448.611 5.211 30 20 IKED CC1(C)Cc2cc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)sc2-c2ccccc21 512981391 PEVHTTDWZFPTPB-SFHVURJKSA-N 441.581 6.257 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1ccccc1Br 513348419 SXWAKPFXTFXKBN-MRXNPFEDSA-N 435.435 5.108 30 20 IKED N#CCc1cccc(C(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)c1 514560128 NDXABAFFRMXZHE-UHFFFAOYSA-N 435.361 5.456 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3cncc(Cl)c3Br)c2)cc1 516891505 LPVHJUGDOADNIV-UHFFFAOYSA-N 442.700 5.200 30 20 IKED Cc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c2cc(Br)ccc2n1 517461043 MBXSZCLUGYXXRL-CYBMUJFWSA-N 440.366 5.810 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)s1 519401210 NXMOEUPYFHOYPA-UHFFFAOYSA-N 426.894 5.227 30 20 IKED C=CCN(C(=O)c1cc(NC(=O)CC(C)C)ccc1Cl)c1nc2c(s1)CCCC2 525005482 GCTKZZSITHDQBO-UHFFFAOYSA-N 431.989 5.493 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)nc2ccccc2c1=O 525047156 QONMXFOYRNGELV-AWEZNQCLSA-N 438.940 5.063 30 20 IKED Cc1cc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)ccc1NC(=O)CC(C)C 525657647 JZMWIJRVZYIPCI-UHFFFAOYSA-N 433.430 5.045 30 20 IKED C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCCN(Cc2ccc(C#N)cc2)CC1 532901219 DOPVILTVCIUCSM-QFIPXVFZSA-N 438.575 5.079 30 20 IKED Cn1ccnc1[C@@H](NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(F)c1 533255797 JOMVMYAIRAONIB-KRWDZBQOSA-N 431.355 5.476 30 20 IKED CC(=O)N1CC[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c2ccccc21 535301220 AGRHGLJFPDXNMI-DEOSSOPVSA-N 440.503 5.278 30 20 IKED CCc1nnc(-c2ccc(NC(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)cc2)o1 535597138 DNRSQBUBXAPPSD-UHFFFAOYSA-N 444.878 5.869 30 20 IKED CC(=O)N(c1nc(CSc2cccc(Cl)c2C#N)cs1)c1ccc(C)cc1C 537845615 JHISCNGNPLUIIV-UHFFFAOYSA-N 427.982 6.262 30 20 IKED Cc1ccc([C@H](NC(=O)Nc2cc(C)n(CCC#N)n2)c2ccc(F)cc2Cl)cc1 539718338 VFMYDUURRJKSBT-NRFANRHFSA-N 425.895 5.117 30 20 IKED C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 541076930 HYJCNCMGBMZLSO-SJORKVTESA-N 440.572 5.325 30 20 IKED CCOc1ccc(-n2c(SCc3ccc(CC#N)cc3)nnc2-c2cccnc2)cc1 543122740 UDQDSPPMKYJBAO-UHFFFAOYSA-N 427.533 5.086 30 20 IKED Cc1sc([C@@H](C)NCCC(=O)Nc2sccc2C#N)nc1-c1ccc(Cl)cc1 544471514 UALKNSJTAQDBMZ-GFCCVEGCSA-N 430.986 5.385 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(Cc4cccnc4)CC3)c2)cc1 552785905 FZOCEZXOFDSCNQ-UHFFFAOYSA-N 440.547 5.213 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)N1CC[C@H](COC(F)F)C1 554240146 XXRFUUSGRCYDQN-VIFPVBQESA-N 434.377 5.156 30 20 IKED CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 565804511 YBLDHBGBYXTMSN-UHFFFAOYSA-N 431.452 5.096 30 20 IKED N#Cc1cc(Br)ccc1CN[C@H](Cc1ccc(Cl)cc1)c1ccccn1 576726871 MOGAYYNFXMFRPZ-OAQYLSRUSA-N 426.745 5.443 30 20 IKED N#Cc1cc(NC(=O)N2CCC(c3noc4cc(F)ccc34)CC2)ccc1OC(F)(F)F 576910134 YIVXEXKWXYGPOP-UHFFFAOYSA-N 448.376 5.149 30 20 IKED Cc1ccccc1C1(CNC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)CCCCC1 577133065 YOXJAEOAVMILDQ-IBGZPJMESA-N 449.620 5.204 30 20 IKED N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1c(Cl)cccc1Cl 580636095 QDZRKUYYOHWFEW-HUBLWGQQSA-N 429.225 5.377 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(Oc4nccs4)c3)n2)cc1 606144960 GGSXIYHURVWDTC-GOSISDBHSA-N 428.498 5.421 30 20 IKED C[C@@H]1c2ccc(F)cc2CCN1C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 606641986 GVWXJJCBDCJHIR-RAIGVLPGSA-N 426.376 5.364 30 20 IKED C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 608897037 KOUNULGESHQQMF-CYBMUJFWSA-N 431.439 5.030 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3nnc(-c4ccccc4Cl)s3)o2)cc1 609059654 KBRWIASHZFXLDL-UHFFFAOYSA-N 436.880 5.154 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCOc1ccc(F)cc1 609078050 BAQXIQUKGZBTRG-UHFFFAOYSA-N 433.483 5.175 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)CNC(=O)c3ccc(Cl)cc3Cl)c2)cc1 609202697 RWUZLDMOUWPTON-UHFFFAOYSA-N 440.286 5.026 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccccc3Oc3ccccc3Cl)CC2)c1 609204925 UXADLTBIEOGUGV-UHFFFAOYSA-N 447.922 6.079 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(C(F)(F)C(F)(F)F)cc3)CC2)c1 609254257 MPVBMVDLWHRUAW-UHFFFAOYSA-N 439.384 5.288 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(Nc2ccccc2)s1 609370894 GNGHAJUCJXYMRD-CQSZACIVSA-N 441.607 5.407 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 609430333 PHLKVBGYMNTCKZ-ZFWWWQNUSA-N 448.375 5.379 30 20 IKED CC(C)Oc1ccc(CC[C@@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 609435009 KPKMVPLIXDCKHH-MOPGFXCFSA-N 425.598 6.011 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)CCc1ccc(Br)cc1 609435566 XJXZSCITBJYCDO-OAHLLOKOSA-N 432.387 5.550 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(CN2CCc3ccccc32)CC1 609555807 GWVGNALKSCQICP-LJQANCHMSA-N 434.609 5.387 30 20 IKED Cc1cc(Br)ccc1N(C)C(=O)c1cccc(COc2cccc(C#N)c2)c1 609643143 VDZFSGBXCPGZNT-UHFFFAOYSA-N 435.321 5.485 30 20 IKED C[C@@H](CCC1CCCCC1)NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 609690568 RCVIEOWCONNCHH-FQEVSTJZSA-N 447.579 5.135 30 20 IKED N#CCCCOc1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 609723702 UZHVPBXBIPYPFX-UHFFFAOYSA-N 431.879 5.939 30 20 IKED N#Cc1ccc(N2CCC[C@@H]2c2nc(-c3ccc(COCC(F)(F)F)cc3)no2)cc1 615131388 NZPDAWOAYOCCPY-LJQANCHMSA-N 428.414 5.029 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NC(=O)NCc3ccc(C#N)c(Cl)c3)s2)cc1 619757393 ANDFVEIZYIYBCS-AWEZNQCLSA-N 440.956 5.213 30 20 IKED O=C(N[C@H]1CCSc2ccc(F)cc21)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642671661 DUZUFRSMCIHCGF-SVBLFDIKSA-N 444.416 5.571 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccc(COC(C)(C)C)cc2)nnc1-c1ccco1 675793226 VYVNYXWOZUUVBV-UHFFFAOYSA-N 440.569 5.160 30 20 IKED CC(C)(C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(Cl)cc1F 682702607 AABMHCMEKCLIOI-UWVGGRQHSA-N 433.795 5.782 30 20 IKED N#CCOc1ccc(/C=C2/SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1 726628084 SXLVMXHZJKBQPS-GZTJUZNOSA-N 434.464 5.009 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)cc1 726696528 QLSRWQNKNKFJMZ-YTFSRNRJSA-N 446.348 5.782 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C 726700915 WOWNXSUKUHHXOM-UHFFFAOYSA-N 448.567 5.546 30 20 IKED C[C@@H](Sc1nnc(Cc2cccc(F)c2)o1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 727654929 XLJRAPKOEMCUKH-HFITWMCCSA-N 437.540 5.161 30 20 IKED C#Cc1cccc(N(C)C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC)c1 728482751 HEXAZPUHRGQERS-UHFFFAOYSA-N 445.375 5.008 30 20 IKED COc1ccccc1[C@H](C)CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 728766790 KZQMMTAXXCSFNC-NQIIRXRSSA-N 428.488 5.329 30 20 IKED CC(=O)N(c1nc(/C=C2/Oc3ccc(Cl)cc3C2=O)cs1)c1ccc(F)cc1F 729150534 JBVUTQFWYAKQJK-QGMBQPNBSA-N 432.835 5.376 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC(c2cc3ccccc3[nH]2)CC1 731031117 QPXAOCDOALBECB-SFHVURJKSA-N 432.593 5.238 30 20 IKED C[C@@H](Oc1ccccc1Br)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 732733443 KKVJQUGZBSUIKE-OXQOHEQNSA-N 435.321 5.511 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)C2(c3cccc(Cl)c3)CCCCC2)ccc1OC 733229476 CXRRAITTYOCSOH-OAQYLSRUSA-N 440.971 5.548 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)ccc1F 734082496 DGIDDKUZBNHNIB-HNNXBMFYSA-N 438.484 5.181 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCCCNC(=O)NC2CCCCC2)cc1 734392985 QXYKVPJYQXRALP-VWLOTQADSA-N 446.595 5.473 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(Cl)ccc1OCC#N 735319301 YQBLDHNIUJEFGY-HNNXBMFYSA-N 445.997 5.366 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)c1cnn(-c2ccc(C#N)cc2)c1C 741843584 IIGURKUCIJCZCY-OUKQBFOZSA-N 441.922 5.155 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 742563121 DPCGXZRMLAASLN-NRFANRHFSA-N 449.551 5.060 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1 742889790 MZQHANBDKDQAFD-GOSISDBHSA-N 441.531 6.063 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1NC(=O)OC(C)(C)C 744062221 HDJDBLNOYNGOPS-QGZVFWFLSA-N 434.521 5.351 30 20 IKED C[C@H](OC(=O)CSCc1ccc(C#N)cc1)c1ccc(N(C)Cc2ccccn2)c(F)c1 744202553 GZYFYLVJZNIGPF-SFHVURJKSA-N 449.551 5.266 30 20 IKED C[C@H](OC(=O)C[C@@H](C)c1ccccc1C(F)(F)F)C(=O)N(CCC#N)c1ccccc1 745217324 JEJTVAOYDHFJGN-SJORKVTESA-N 432.442 5.078 30 20 IKED C[C@H](C=Nn1cnnc1SCc1ccc(Cl)cc1)c1cccc(Br)c1 747629374 BZVSRZBZQKLUQE-CYBMUJFWSA-N 435.778 5.624 30 20 IKED O=C(/C=C\c1csc(COc2ccc(Cl)cc2)n1)c1ccc(N2CCOC2=O)cc1 748583992 KZTBUCMKXLYDEH-YHYXMXQVSA-N 440.908 5.228 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2Br)cc1C#N 752290514 DADVQQCVVGFBLY-UHFFFAOYSA-N 437.681 5.187 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCc3c(Cl)cc(Cl)cc3C2)cc1C#N 752303857 CIGJTNWVLRXGSZ-UHFFFAOYSA-N 433.295 5.024 30 20 IKED Fc1cc(-c2ccncc2)ccc1C=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1 752734190 MYAUICUVZRMFJY-UHFFFAOYSA-N 438.388 5.205 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 754216643 BFBUMTSAVFOQQS-UHFFFAOYSA-N 447.491 5.638 30 20 IKED N#C[C@@H](C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 754532049 POTOPOOOMUHHOO-HNNXBMFYSA-N 437.710 5.347 30 20 IKED CN1C(=O)CCc2cc(C(=O)/C=C/c3cccc(NC(=O)c4ccccc4Cl)c3)ccc21 754689691 LQUALSRECMEODL-UKTHLTGXSA-N 444.918 5.397 30 20 IKED Cc1ccc(-c2cncc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c2)cc1 757875641 RNQQYUJDGYGIRA-XMMPIXPASA-N 447.494 5.811 30 20 IKED Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccc(COc4ccccc4C#N)o3)o2)cc1C 758937067 PEGVLZHWOFGJCO-QGZVFWFLSA-N 443.459 5.315 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccccc2)o1 764386702 WUYJOGVFQBRRHF-LADGPHEKSA-N 444.531 5.239 30 20 IKED COc1cc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)ccc1NC(=O)OC(C)(C)C 767854149 SCNFVOQXJDXVAK-UHFFFAOYSA-N 448.523 5.235 30 20 IKED CC(C)(C#N)c1ccccc1CSc1nnc(-c2ccncc2)n1Cc1ccccc1 768155641 LFBUUWFERPDTHD-UHFFFAOYSA-N 425.561 5.482 30 20 IKED CC(C)[C@H](OC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)Nc1ccccc1Cl 769543479 KHMKQCIOKYCVKT-QFIPXVFZSA-N 437.927 5.419 30 20 IKED CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cn(CCCC#N)c2ccccc12 769545906 DIIHZJAGBIWRMA-RBUKOAKNSA-N 431.536 5.643 30 20 IKED CC(=NNc1nc(O)c2cnn(C(C)(C)C)c2n1)c1ccc(-c2ccccc2Cl)s1 769808446 HCDWEKZHJOSKGY-UHFFFAOYSA-N 440.960 5.505 30 20 IKED C[C@H]1CN(c2ccc(NCc3ccc(O[C@H](C)C#N)cc3)cc2C(F)(F)F)C[C@H](C)O1 770566315 VMXGPCSYCYIEMP-IKGGRYGDSA-N 433.474 5.222 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)C1 777298141 WHHVKIJFIDSBOD-QKKBWIMNSA-N 433.961 5.163 30 20 IKED C=CC[C@@H](C(=O)OCc1csc(N(C(C)=O)c2ccccc2CC)n1)c1ccccc1 778418845 PINYXOZBVOWEGN-JOCHJYFZSA-N 434.561 5.793 30 20 IKED Cc1ccc(C2(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CCOCC2)cc1 779193960 ITTWJLZATZGBNW-HXUWFJFHSA-N 436.964 5.697 30 20 IKED COc1cc(/C=C\C(=O)c2cc3c(s2)SCC(=O)N3)ccc1OCc1ccccc1 779462064 GXVQFOLCDMBWCP-CLFYSBASSA-N 437.542 5.276 30 20 IKED CC(C)(C)n1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(Br)n1 779904500 FBOFKDCZTSLRQV-UHFFFAOYSA-N 439.313 5.317 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)Nc3sccc3C#N)cs2)cc1 783712104 BPHOLPWBAQXDEV-UHFFFAOYSA-N 440.550 5.266 30 20 IKED CC[C@@H](NC(=O)[C@@H](C#N)C(=O)c1cc2cc(C)cc(Br)c2o1)c1ccccc1 787034385 LADVSMCUCAXULE-FUHWJXTLSA-N 439.309 5.094 30 20 IKED O=C1/C(=C/c2cnc(-c3ccco3)s2)CSC/C1=C/c1cnc(-c2ccco2)s1 788099667 SLULADZYHFICCK-MFUUIURDSA-N 438.555 5.903 30 20 IKED Cn1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(-c2ccc(Cl)s2)n1 789621291 PCTNCGBSASMIRQ-SFHVURJKSA-N 432.936 5.710 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 790773896 PZYDWXVMJSFEKX-IBGZPJMESA-N 447.560 5.966 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 790965155 GKBJOYRRKFYXEA-IBGZPJMESA-N 448.350 5.654 30 20 IKED N#C[C@H](C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1nccc2ccccc12 792101968 CVMPZDRQDYXATG-VQTJNVASSA-N 438.314 5.023 30 20 IKED N#C[C@H](C(=O)[C@@H](Sc1ccc(F)c(Cl)c1)c1ccccc1)c1cnc2ccccc2n1 792108633 NCZJDCGEBDCKAM-XDHUDOTRSA-N 447.922 6.132 30 20 IKED COC1CCN(c2ccc(NC(=O)C[C@@H](CC#N)c3ccccc3)cc2C(F)(F)F)CC1 793390344 PDHJEDCPZBADGU-GOSISDBHSA-N 445.485 5.347 30 20 IKED CCOc1ccc(-c2nc(CC)c(C(=O)[C@H](C#N)C(=O)Nc3cccc(C)c3)s2)cc1 796630197 BUMOAONZUNIABU-IBGZPJMESA-N 433.533 5.041 30 20 IKED C[C@@H](NC(=O)[C@H](C#N)C(=O)c1ccc(C(C)(F)F)cc1)c1ccc(Cl)cc1Cl 797147080 ORJVQNGOESVDBP-BDJLRTHQSA-N 425.262 5.305 30 20 IKED N#Cc1ccccc1N=c1scc(-c2cnccn2)n1[C@H]1CCO[C@@H](c2ccccc2)C1 803182472 XSPCGZICJZIAJE-GBXCKJPGSA-N 439.544 5.203 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2c(F)cccc2Cl)cs1 809159933 ZKIBUCGRSZTLBW-JXMROGBWSA-N 435.307 6.170 30 20 IKED C[C@@H](NC(=O)[C@H](C#N)C(=O)c1cc2cc(Cl)sc2[nH]1)c1ccc(Cl)cc1Cl 810709420 AHYNXDLWCSJSPW-PRHODGIISA-N 440.739 5.389 30 20 IKED Cc1ccc(C(=O)CCC(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)s1 915101541 DJAGECGYUOIBNO-SFHVURJKSA-N 436.558 5.369 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc2ccccc2n1Cc1ccccc1F 916911936 OLJXQPZJWNDVTN-GOSISDBHSA-N 445.881 5.443 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1sc2cc(Cl)ccc2c1Cl 916937770 GFQMRHVSVMDVAS-LLVKDONJSA-N 441.698 5.962 30 20 IKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cnn1-c1cccc(Cl)c1 916945985 HJDQKSHAYPRUPZ-QGZVFWFLSA-N 447.709 5.102 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(COc3ccccc3C#N)o2)cc1 916951142 WWBRGBBNQINCSB-VGSWGCGISA-N 441.487 5.205 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3ccccc3OC(F)(F)F)n2)cc1 916974402 KMOLXRDMNOMEKQ-QXPKXGMISA-N 428.435 5.907 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)C2CCCC2)cc1 918446318 UOTRODVZHVNKHW-IZZNHLLZSA-N 437.543 5.328 30 20 IKED CC(C)(CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1 918472974 SUGWADSWEUXBFL-HSZRJFAPSA-N 445.950 5.028 30 20 IKED C[C@H](OC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1)C(=O)Nc1sc2c(c1C#N)CCC2 919204869 KEGRPIOWVZRHSB-VIFPVBQESA-N 448.331 5.081 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 920109292 CQZRMCZKSWOKHF-IBGZPJMESA-N 448.404 5.005 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(N3CCCCCC3)cc2)cc1 921184006 BZTRAFPNEMWXJB-UHFFFAOYSA-N 441.600 6.483 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)Cc3cnc4ccccn34)cc2)CCC1 1786108321 ABUGIYDKJSOCRS-UHFFFAOYSA-N 444.579 5.003 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)C34CC(c5ccccc5)(C3)C4)CCC2)cc1 1786680094 JOCBYRCXWXEFLA-UHFFFAOYSA-N 446.616 5.162 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3cccc(F)c3)cc2)CCC1 1788374908 CSLOFMWCCMIXBA-UHFFFAOYSA-N 429.495 5.212 30 20 IKED C[C@H]1CCC[C@H]1C(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788650496 DLTVRQUVVBFPTR-DAZOGFOGSA-N 436.577 5.057 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccnc(C(F)F)c3)CCC2)cc1 1789624111 JZULQSYVQGHEEE-UHFFFAOYSA-N 441.522 5.759 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cccc(OCC)c3)cc2)CCC1 1790342811 DOMMHSRRECJLQO-UHFFFAOYSA-N 428.479 5.044 30 20 IKED N#CCC(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3Cl)cc2)CCC1 1790651244 IJWIPZIQXIDLAK-UHFFFAOYSA-N 435.833 5.020 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4nc(C)ccc4c3)CCC2)cc1 1791247897 LTZKDAQYGUFDRC-GOSISDBHSA-N 427.548 5.503 30 20 IKED CCCCC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)cc(C(F)(F)F)c1)C2 1801715894 LNFAQUGCJOZFFZ-KQLYMOGASA-N 449.517 5.045 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C23CCC(CC2)CC3)[C@H]1c1cccnc1 1802501111 HCMLQZYBWDDIAS-YRKJJQBRSA-N 437.628 5.050 30 20 IKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)sc3Cl)[nH]n2)C1 1814396457 CLEPEYXBEWPITO-AWEZNQCLSA-N 439.368 5.050 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(C)s2)[nH]n1 1819304117 ZSJLCNNWQMHSJM-FPOVZHCZSA-N 440.613 5.173 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccsc3[nH]2)[nH]n1 1819309095 MKFHMRRTWJVXDC-QFBILLFUSA-N 437.569 5.027 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C(C)=C/c2ccc(C)o2)n[nH]1 1819490895 CQDXSSNZJYWLRW-WOHYVMBMSA-N 436.556 5.175 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 1828831107 ZNGKLONUYBTWJT-XDZVQPMWSA-N 434.624 5.178 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)ccc2Cl)CC1 1830576918 LVLWLHQIZQTAOI-REWPJTCUSA-N 446.994 5.481 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832627870 KLZXDVPJSDOUHR-OFVILXPXSA-N 449.639 5.539 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccccc2)cc1 10170571 SBUQXJGFHUXEGE-UHFFFAOYSA-O 434.629 5.884 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccc(CC)cc2)cc1 10173994 SQNUYUYRTKGPKP-UHFFFAOYSA-O 439.626 5.664 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccc(N(C)C)cc2)c1 10174852 OZULZDSGFOOAOL-UHFFFAOYSA-O 438.642 5.332 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cccc([N+](=O)[O-])c1)=C(/S)Nc1c(C)cccc1C 11153228 ZURCCKZNOVIVAL-UHFFFAOYSA-O 434.541 5.112 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1ccc(F)cc1 24014916 PVYUOJYOFONEJH-SFHVURJKSA-N 449.555 5.006 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1Sc1ncnc2c1oc1ccccc12 24774988 NTMLKOYZYWTXSX-UHFFFAOYSA-N 433.468 5.023 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 60351465 GOTFNKSPYGXTJC-UHFFFAOYSA-N 429.476 5.206 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)o1 65104336 SMJNPAGDDJLOEZ-UHFFFAOYSA-N 438.487 5.182 30 20 IKED Cc1nn(Cc2ccccc2)c2sc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc12 220097429 XJEHTPNTXDKOND-UHFFFAOYSA-N 428.561 5.377 30 20 IKED COc1ccccc1-c1nc(C2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)no1 302731887 TYLIZEDXHOUIJO-UHFFFAOYSA-N 428.414 5.020 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3cccc(COCc4ccco4)c3)c2)cc1 303658229 VWFWORCGUKFYNF-UHFFFAOYSA-N 438.483 5.699 30 20 IKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3cccc4ccccc34)o2)cc1C 303920705 UBJNKPBJUTXKPK-UHFFFAOYSA-N 442.544 5.546 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)[C@H]1OCCc2sccc21 432866978 NMDPWOQOEDJNAY-MZNJEOGPSA-N 447.560 5.331 30 20 IKED C=CCC[C@@H](NC(=O)NC1CCN(C(=O)[C@H](CC)c2ccccc2)CC1)c1ccccc1 435763410 MANTZGMQNYRPOY-JWQCQUIFSA-N 433.596 5.178 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@H](COCc3ccccc3)C2)cc1 437844696 VISXFPFNYVBGIT-OAQYLSRUSA-N 427.504 5.421 30 20 IKED COc1ccccc1Oc1ccc(N[C@H](C)C(=O)N(CCC#N)c2ccccc2)cc1F 439574195 VANXREXOJUJKLC-GOSISDBHSA-N 433.483 5.374 30 20 IKED CCCc1c(NC(=O)N2CCC[C@@H]2c2ccccc2OC)cnn1-c1cccc(C#N)c1 439691528 HXSCKPJGDWKPMF-JOCHJYFZSA-N 429.524 5.074 30 20 IKED COc1cc(CNc2ccccc2CN(C)C(=O)c2cc3ccccc3o2)ccc1C#N 440637044 LESTXTARCHPTTA-UHFFFAOYSA-N 425.488 5.197 30 20 IKED COc1ccc2ccccc2c1CN(Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCCC1 441482779 TXROMWWUHCLQDZ-UHFFFAOYSA-N 438.531 5.715 30 20 IKED CCCN(C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H](C)c1cc2ccccc2o1 441737117 MHVLHFJWJNIMPC-CQSZACIVSA-N 443.425 5.262 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(-c3ccccc3OC)cc2)c1 442173001 OARLHDVFLGQJGD-LJQANCHMSA-N 444.531 5.133 30 20 IKED CCOc1cc(-c2nnc(S[C@@H](C)c3cccc(C#N)c3)o2)cc(OCC)c1OCC 442909128 QMVYAGOGRGSBKM-HNNXBMFYSA-N 439.537 5.658 30 20 IKED C[C@H](C#N)CN(C(=O)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1)C1CC1 444935263 DBWQRIGJBJPBHD-CYBMUJFWSA-N 426.929 5.898 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(c2cccc3cnccc23)C[C@H]1C 446167653 JOPCIZSKBWBRMP-MOPGFXCFSA-N 445.592 5.372 30 20 IKED COc1cccc(C2(NCCC(C#N)(c3ccccc3)c3ccccc3)CCOCC2)c1F 447358852 MOJCGOFKVHZDKY-UHFFFAOYSA-N 444.550 5.330 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(OC4CCOCC4)cc3)cc2F)c1 460148254 FQCGVNDBEYYAOA-UHFFFAOYSA-N 446.478 5.086 30 20 IKED Cc1noc(C)c1CSCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 460339109 MUXWMJFIWPMJAO-UHFFFAOYSA-N 425.941 5.283 30 20 IKED C[C@H](C#N)CSc1ccccc1NCc1cc(Br)ccc1OC(F)F 462233224 COAAGDRBIUSYCD-GFCCVEGCSA-N 427.314 5.914 30 20 IKED Cc1nc(C(F)(F)F)sc1C(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 462402987 PYCNZWUVNVHDGV-HNNXBMFYSA-N 426.357 5.200 30 20 IKED CCO[C@@H](C)c1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)s1 463498190 FWIJOMUDLBSFAG-AWEZNQCLSA-N 425.485 5.083 30 20 IKED COC[C@@H]1CCCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 467387497 CBORHBHDIDIXRC-LJQANCHMSA-N 427.932 5.071 30 20 IKED N#C[C@@H]1N(C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)CCC[C@]12CCCCO2 468135900 IFPFKUPAXLBFSW-RPLLCQBOSA-N 445.538 5.360 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C)cc1-c1nc(C2CC2)no1 472878236 GHPSPFCMXOSAQA-UHFFFAOYSA-N 433.468 5.051 30 20 IKED C=C(C)[C@@H](NCc1csc(N(C(C)=O)c2ccc(F)cc2)n1)c1ccc(F)c(F)c1 479407710 GHYRUAFHSAHRAQ-OAQYLSRUSA-N 431.483 5.652 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N(CCC(F)(F)F)Cc3ccccc3)s2)cc1 479556245 HEUHXMODQGTXOY-UHFFFAOYSA-N 444.482 5.592 30 20 IKED Cc1nc(-c2ccccc2)ncc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 483451157 UIYNMRILNFJUJX-SFHVURJKSA-N 430.920 5.719 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H]3C[C@H](c4ccc(Cl)cc4)C3)cc2)cc1 485120627 HUTPQDIIIQVAQR-XGAFWQRZSA-N 445.906 5.005 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC(c2c(F)cccc2F)CC1 485879635 GCUDAXBZYGZZQY-MRXNPFEDSA-N 429.536 5.035 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)N3CCC[C@H]3c3cccs3)o2)cc1 489799119 CECZUQNVGUXOQL-YJBOKZPZSA-N 441.578 5.207 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H](c1ccccc1C)C1CC1 491435570 UDGOLHBFSWGAAU-RUZDIDTESA-N 439.515 5.173 30 20 IKED O=C(c1cc(OC(F)F)cc(OC(F)F)c1)N1CC[C@@H](C(F)(F)F)c2ccccc21 492073515 ZNFCHUYRXPBIOI-CQSZACIVSA-N 437.311 5.586 30 20 IKED O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1ccc(C(F)(F)F)cn1 499265592 OEEBHRZRLHTKGE-UHFFFAOYSA-N 445.294 5.698 30 20 IKED Cc1cc(Sc2ncccn2)ccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 503473927 PHLVNLQJLBENEQ-UHFFFAOYSA-N 427.533 5.129 30 20 IKED Cc1nc(NC(=O)c2c(-c3cccc(Br)c3)noc2C)sc1SCC#N 503949598 RNACQPMPYRQPDJ-UHFFFAOYSA-N 449.355 5.045 30 20 IKED CC[C@@H](C)n1c(S[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccccc1 504278872 DRALKBWLBSZRPM-CABCVRRESA-N 439.972 5.560 30 20 IKED CNC(=O)c1ccc(CSc2nc(-c3ccc(C)o3)cc(C(F)(F)F)c2C#N)cc1 504537535 ABRDOMCPXPUNRY-UHFFFAOYSA-N 431.439 5.192 30 20 IKED Cc1nc(CSc2ccccc2C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cs1 504712636 RCXWBHJJXQCKLW-UHFFFAOYSA-N 449.601 5.299 30 20 IKED COC(=O)c1ccc(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 505146932 YVVSGWIDOLMFFA-QFIPXVFZSA-N 447.922 5.146 30 20 IKED C=CCN(CC=C)C(=O)[C@@H](C)S[C@H](C)c1nc(O)c2c(-c3ccco3)csc2n1 505282379 YVKDFSZVPJPHKE-ZIAGYGMSSA-N 429.567 5.040 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 505971977 SYYHZCQKKLDRHG-SFHVURJKSA-N 430.508 5.202 30 20 IKED COc1ccc(Cl)cc1CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 506058333 NKFAXZYXMARPDS-UHFFFAOYSA-N 435.911 5.315 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 506798576 SPBAYZMLUSZUHD-UHFFFAOYSA-N 444.535 5.237 30 20 IKED Cc1sc(Br)c(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1C 507541675 FDSSXXQIXNGHRW-UHFFFAOYSA-N 433.249 5.193 30 20 IKED C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1 509009735 DUDITDDYBATIEN-UHFFFAOYSA-N 444.926 5.181 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3cccc(O)c3)CC2)cc1Cl 510004261 FGCBZKUKHPVDHR-HSZRJFAPSA-N 446.938 5.055 30 20 IKED COc1cccc([C@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 510025060 YATQDPMDNMFSRA-UKILVPOCSA-N 445.950 6.373 30 20 IKED CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cccc(COc3ccccc3C#N)c2)c1 513266835 JIGGLPKKQYAKFM-IBGZPJMESA-N 441.531 5.052 30 20 IKED COCc1cccc2sc(NC(=O)c3cccc(COc4ccccc4C#N)c3)nc12 513269231 SQPRAWIURGRZCI-UHFFFAOYSA-N 429.501 5.146 30 20 IKED CCCCCOc1ccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 513666913 QAVBDDSIHOYMSF-SFHVURJKSA-N 435.549 5.335 30 20 IKED C[C@H](N[C@@H](C)c1nnc(-c2ccccc2F)s1)c1ccc(-c2cccc(C#N)c2)cc1 514232601 NQNHQALYQVUILP-IRXDYDNUSA-N 428.536 6.295 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Oc2ccccc2OCC)nc1 515909875 OUULUPPQMGJILL-UHFFFAOYSA-N 444.535 5.266 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1 516844264 SCBKTAGMVYOCPI-UHFFFAOYSA-N 441.556 5.339 30 20 IKED C[C@@H](Nc1ccccc1NC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccccc1 517095171 AQLLZFWPXJTYDE-LJQANCHMSA-N 426.520 5.479 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(N2CCc3ccccc3C2)cc1 519516218 CNQVDVQNZSUMCQ-LJQANCHMSA-N 427.573 5.896 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(CCc1ccccn1)Cc1ccc(F)cc1 520936644 FKJOKOOPZPJIMJ-IBGZPJMESA-N 448.567 5.892 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3cc(F)ccc3OC[C@H]3CCCO3)c2)cc1 523149477 HUIJAXJRMXTSPZ-JOCHJYFZSA-N 431.467 5.251 30 20 IKED N#C[C@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)c1ccc(OC(F)(F)F)cc1 535069861 XKNCWKCNYLPRDR-HNNXBMFYSA-N 439.846 5.162 30 20 IKED Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 535295878 YAWZFRGEWQXXJW-WOJBJXKFSA-N 438.453 5.316 30 20 IKED COc1cc([C@H](C)NCC(=O)Nc2sc(C)c(C)c2C#N)ccc1OCc1ccccc1 537054230 XFYLTGUSKBNMFZ-KRWDZBQOSA-N 449.576 5.114 30 20 IKED COc1cccc([C@H](Cc2cc(C)cc(C)c2)NCc2nnc(-c3ccc(C#N)cc3)o2)c1 537157817 YWUQZRAHKFGIDB-VWLOTQADSA-N 438.531 5.307 30 20 IKED C=CCCOCCCCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 537319133 SBURTDCIQQFYTK-LJQANCHMSA-N 427.372 5.076 30 20 IKED COc1cc(CN[C@H](c2ccccc2)[C@H]2CCOC2)ccc1OCc1cccc(C#N)c1 540399756 ZWZBTPHORWWJDJ-RPLLCQBOSA-N 428.532 5.013 30 20 IKED C[C@@H](NC(=O)CCCc1nc(O)c2ccccc2n1)c1ccc(-c2cccc(C#N)c2)cc1 541071923 IBWKPURGJIMNJI-GOSISDBHSA-N 436.515 5.074 30 20 IKED CN(C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 542178614 KYMGPYOYQAMLDJ-YOEHRIQHSA-N 448.338 5.032 30 20 IKED CN(C(=O)NCc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 542758123 RVWUYFFHEFNJEP-AHWVRZQESA-N 443.522 5.426 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCO[C@@H](c4ccc(F)cc4)C3)cc2)cc1 543564908 WBAZCUQGUPREDW-XUZZJYLKSA-N 431.467 5.531 30 20 IKED Cc1ccnc(OC2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)c1 543930483 FMKAQBLVHZMLLN-UHFFFAOYSA-N 429.545 5.097 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cccc(CN(C)Cc3ccccc3)c2)cc1 544232199 QYFSSCMCOJEWTO-UHFFFAOYSA-N 427.548 5.278 30 20 IKED CCN1C(=O)CCc2cc(NC(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)ccc21 546843033 PDJLELSYMYTHCO-GOSISDBHSA-N 438.531 5.407 30 20 IKED C[C@@H](CC#N)N(C)c1nnc(COc2ccccc2-c2ccccc2)n1Cc1ccccc1 571579850 FPVYXVPPUYAVIF-NRFANRHFSA-N 437.547 5.311 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@H](c4nc5ccccc5o4)C3)cc2)ccn1 589363790 MSSYMMPAJDOVDY-KRWDZBQOSA-N 439.475 5.298 30 20 IKED Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cnn1-c1ccc(F)cc1 604003680 SCMFECUTAYPVNX-UHFFFAOYSA-N 440.478 5.217 30 20 IKED C[C@H](C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F 607789275 BINVNBUDTFSXTK-NNYUYHANSA-N 435.330 5.835 30 20 IKED Cc1cccc(-n2ncc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)c2C)c1 609060707 BIWDAPOGKFXNGV-UHFFFAOYSA-N 436.515 5.501 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 609402296 GMRMQZVYJVDYFF-GOSISDBHSA-N 448.375 5.301 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)CCOc1ccc(Br)cc1 609435196 XKUYNCATEZLVJZ-OAHLLOKOSA-N 448.386 5.386 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 609436496 NINYDXXUMUNSQD-ROUUACIJSA-N 428.627 5.176 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC(c4c[nH]c5ncccc45)CC3)cc2)cc1 609521460 HOFYBKHYHYKAAA-UHFFFAOYSA-N 436.515 5.441 30 20 IKED Cc1ccnc(-c2cccc(N[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)c2)n1 609676817 YRLSFEIRWXOVCH-INIZCTEOSA-N 431.565 5.093 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)NC(c3ccccc3)c3ccccc3)c2)cc1 609936404 VOGBDKJZIGMONG-UHFFFAOYSA-N 447.494 5.195 30 20 IKED CC[C@H](NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(Cl)cc1 609938465 SSHJOTBLBONHQJ-QFIPXVFZSA-N 433.895 5.210 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCc2sc(Br)cc2C1 610936097 VIXNQAXAGAWBMQ-GFCCVEGCSA-N 436.400 5.495 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@H](C[C@H]3CCOC3)c3ccccc3)cn2)c1 611075210 NGIOASDKGJYCID-AUSIDOKSSA-N 428.492 5.035 30 20 IKED Cc1nc(-c2ccccc2)[nH]c1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613405274 WGIJFYJHANNBBZ-CQSZACIVSA-N 426.423 5.504 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC[C@@H]1Cc1ccc(F)cc1 615682631 GXVSHCQMKNGPQG-CKEIUWERSA-N 440.403 5.452 30 20 IKED COCc1nc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c(-c2ccccc2)s1 619649064 PXPAUGLNPLEDAQ-UHFFFAOYSA-N 442.500 5.268 30 20 IKED N#C[C@H](C(=O)c1cccc(Nc2ncccn2)c1)c1nc2cc(C(F)(F)F)ccc2s1 642282198 TXPPXFXOBUXDRR-OAHLLOKOSA-N 439.422 5.339 30 20 IKED Cc1cc(C(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)c(C)n1CC(F)(F)F 644638038 HFHQKHSNYFMMHE-UHFFFAOYSA-N 448.342 5.263 30 20 IKED O=C(N[C@H](c1ccccc1F)C1CCCC1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674892367 VOLWWHBKLHAILJ-LZWOXQAQSA-N 426.376 5.439 30 20 IKED O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)N1CC(CC(F)(F)F)C1 675366991 BMJQVKTWBVBUKU-UHFFFAOYSA-N 437.315 5.448 30 20 IKED COc1cccc(Cc2cnc(NC(=O)c3occc3COc3cccc(C#N)c3)s2)c1 726499960 NNTSQAYHIONNRV-UHFFFAOYSA-N 445.500 5.038 30 20 IKED C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1OC 726627294 PRDAYPRHSIZIGY-VXLYETTFSA-N 442.949 5.191 30 20 IKED N#Cc1ccc(C2=N/C(=C/c3csc(-c4ccc(C(F)(F)F)cc4)n3)C(=O)O2)cc1 726909548 JIOVJJIXEMYKKD-RQZCQDPDSA-N 425.391 5.045 30 20 IKED N#CCCn1cc(C(=O)COC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c2ccccc21 727925322 AZSKPIHFQQDXIA-DLBZAZTESA-N 441.314 5.391 30 20 IKED COc1ccc(/C=C\C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC 727997251 WWTOFVBPBJQPAE-WQLSENKSSA-N 428.488 5.115 30 20 IKED COc1ccc2nc(C)c(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)cc2c1 729370221 RLUWSQYZGYEGIG-SANMLTNESA-N 437.499 5.126 30 20 IKED N#CCCN(Cc1cccnc1)Cn1cc(-c2ccccc2)n(CC(F)(F)F)c1=S 729463220 PEVJFWGONQMVKM-UHFFFAOYSA-N 431.487 5.017 30 20 IKED C[C@H](c1nn(CN(CCC#N)CC(C)(C)C)c(=S)n1-c1ccccc1)N1CCCCC1 729468366 RLOIJDJSZGIWTI-HXUWFJFHSA-N 440.661 5.169 30 20 IKED C[C@@H](OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(=O)c1cc(F)ccc1F 730375076 CUFWGVXCNUJIJJ-CYBMUJFWSA-N 425.362 5.196 30 20 IKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(C2CCC2)C1=O 730460392 ZNZIYPZMZWKNGY-LJQANCHMSA-N 427.957 5.161 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)ccc1OC 733648954 NLPPXVGXEMFYMS-REWPJTCUSA-N 441.959 5.370 30 20 IKED O=C(/C=C\c1ccc(-c2nc3ccccc3s2)o1)c1ccc(N2CCC(O)CC2)cc1 734235511 PRAWPVJZANMTMB-LUAWRHEFSA-N 430.529 5.414 30 20 IKED Cc1ccc(-c2ncc(C=Nn3c(C)nc4scc(-c5ccccc5)c4c3=O)s2)cc1 734297611 QOPJDCZEKITPCR-UHFFFAOYSA-N 442.569 5.748 30 20 IKED Cc1ccnc(-c2cccc(N=Cc3cc(Br)cc(Br)c3O)c2)n1 734303287 JQDJQWGBMPPWDM-UHFFFAOYSA-N 447.130 5.433 30 20 IKED Cc1cc(C=Nn2c(S)nnc2[C@H]2CCCO2)cc(C)c1OCc1ccccc1Cl 734744721 CGKZUKRJWDZLKA-LJQANCHMSA-N 442.972 5.150 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H](c2ccccc2)C2CCOCC2)c1 735013519 JILGZNHFCHOUFY-VWLOTQADSA-N 446.934 5.902 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc(Nc2ccccc2)c1 735722717 GPILMJIRIQUPSA-SFHVURJKSA-N 445.544 5.620 30 20 IKED Cc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1NC(=O)CC(C)C 741903773 VHDRXWXUGSYEES-XMMPIXPASA-N 425.532 5.887 30 20 IKED CCn1nc(C)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1Cl 741920385 SMAYVLYMSAHVPL-UHFFFAOYSA-N 429.307 5.221 30 20 IKED COc1cc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc(OC)c1OC(F)F 742496996 HGQTZCPURMQXNV-UHFFFAOYSA-N 425.387 5.063 30 20 IKED C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 744418483 DONZOJNAUSSZPH-CYFREDJKSA-N 432.527 5.584 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)[C@H](C)c1ccccc1C(F)(F)F 745308671 OUVUGLAHWNSZHI-CABCVRRESA-N 425.472 5.017 30 20 IKED O=C(/C=C\c1ncc(-c2ccc(Br)cc2)[nH]1)c1ccc(-c2ccncc2)cc1 745989798 AEGHARHNLWVGHT-KTKRTIGZSA-N 430.305 5.797 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)ccc1SC 746342400 RZJQMTOFQCYDCX-ZSOIEALJSA-N 433.529 5.331 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C\c2ccc(C(=O)O)cc2)C(=O)c2ccccc2)c(Cl)c1 747154417 BKEZLAPEAZISNN-ZHZULCJRSA-N 433.891 5.560 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc([N+](=O)[O-])c(O)c1)C(=O)c1ccccc1 748146250 GRLKNRWMKSOPQV-RCCKNPSSSA-N 444.487 5.330 30 20 IKED C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 748535914 QVLWLCSUKQFXOI-FNZWTVRRSA-N 439.563 5.084 30 20 IKED CCOCCCn1c(NN=C(C)[C@@H](C)c2nc3ccccc3s2)nc2ccccc2c1=O 748780592 LWXLQNVBXALDHL-MRXNPFEDSA-N 449.580 5.024 30 20 IKED COc1ccc(N2C/C(=C\c3ccc(C#N)s3)C(=O)/C(=C/c3ccc(C#N)s3)C2)cc1 748999411 XQQOIZKQRINMBJ-OTYYAQKOSA-N 443.553 5.118 30 20 IKED C#CCOc1ccc(Br)cc1CNCc1ccc(Oc2cccc(F)c2)nc1 749263179 DHRAUVQXXDRKIB-UHFFFAOYSA-N 441.300 5.077 30 20 IKED CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)Nc1ccccc1SC[C@@H](C)C#N 751548223 QBPAQCAVRJWQEP-LAUBAEHRSA-N 429.561 5.301 30 20 IKED C#CC[C@@H](NC(=O)Nc1ccc(Oc2ccccc2S(=O)(=O)CC)cc1)c1ccccc1 757894973 PDXZJXGQOBULQR-JOCHJYFZSA-N 448.544 5.159 30 20 IKED COc1cc(C=NOCc2cc(Br)cc3cccnc23)ccc1OC(F)F 759762156 PLKHEVGIQXSJOD-UHFFFAOYSA-N 437.240 5.158 30 20 IKED Cc1cccc(C)c1NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1ccc2c(c1)CCCC2 762438242 KOURFPDXGQKEPQ-UHFFFAOYSA-O 440.592 5.665 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCCCC[C@H]3C[C@H](O)c3ccco3)c2)c1 762985800 IMPPYAAXAWXYGC-ZCYQVOJMSA-N 444.531 5.239 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 763510820 LQBLDMZUSXTYIO-BFYDXBDKSA-N 445.560 5.285 30 20 IKED CC(C)(C)OC(=O)N1CCc2cc(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)ccc21 767868370 AAEIJJFGPPCWLZ-UHFFFAOYSA-N 444.535 5.177 30 20 IKED COc1ccc(-c2cc3[nH]c(/C(Cl)=C\c4ccc(C#N)cc4F)nc(=O)c3s2)cc1 772795704 DLKZZZNSRLVRCV-CXUHLZMHSA-N 437.883 5.408 30 20 IKED N#Cc1ccc(N2CCC[C@H]2C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 777304184 MSQFCXFXWDCMNF-WMZOPIPTSA-N 440.450 5.032 30 20 IKED CC1(NC(=O)OC(C)(C)C)CCN(C(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 782015354 IZIBFDZQVMOMJK-UHFFFAOYSA-N 439.581 5.059 30 20 IKED CC(=NOCc1cc(F)cc2cccnc12)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 784049794 PTMXHAGSVXSRPA-UHFFFAOYSA-N 443.404 5.223 30 20 IKED N#C[C@H](C(=O)NCc1cccc(Cl)c1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 786541091 VWGNKRNDFGPBLL-HNNXBMFYSA-N 448.750 5.016 30 20 IKED CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)[C@@H](C#N)c1nccc2ccccc12)OCC3 792103537 SFSKUILALROBST-LXFBAYGMSA-N 437.543 5.723 30 20 IKED CC1(CCN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccsc2)CC1 794447162 HJFVLEDQKOLREA-QGZVFWFLSA-N 431.558 5.038 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H](C)Oc1ccc2ccccc2c1 795724574 LVBCWVUYCFJHJH-ROUUACIJSA-N 448.544 5.183 30 20 IKED O=C([C@H](F)c1ccc(C(F)(F)F)cc1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 801660611 IRFYPSWVXUNBJZ-OAHLLOKOSA-N 438.299 5.215 30 20 IKED Cc1cc(=O)cc(C)n1CCCC(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 810535079 BSZABKVNGGAIGE-ZVUJHCQASA-N 449.620 5.046 30 20 IKED C[C@@H](NC(=O)CCCCOc1cccc(C#N)c1)c1ccc(C(F)(F)F)nc1Cl 816761509 DLOJWZJWIVKRPE-CYBMUJFWSA-N 425.838 5.052 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(CCc2cccs2)C(=O)N[C@H]1c1cccc(C#N)c1 840174805 DLXVHHJTPZFWDK-QHCPKHFHSA-N 445.519 5.068 30 20 IKED N#C[C@H](C(=O)CCc1nc2ccccc2o1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102991 NBLZBAKTZZJWAK-CQSZACIVSA-N 442.327 6.067 30 20 IKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(C2CC2)C1=O)Nc1ccc2ccccc2c1 916208354 ABVZTRKYDLHEPV-OAQYLSRUSA-N 433.508 5.102 30 20 IKED COc1ccc(C(=O)/C=C\c2c(C)nn(-c3ccc(Cl)cc3)c2Cl)cc1CC(=O)O 916546929 ORNGHQIODLIAHK-HJWRWDBZSA-N 445.302 5.019 30 20 IKED N#C[C@H](C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2s1 916846196 LCLRBFFENKGDDV-GEXIGZQTSA-N 440.368 6.224 30 20 IKED Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916846745 DIDKMPQXENGYBI-QAPCUYQASA-N 449.576 5.351 30 20 IKED Cc1ccc(SCCC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1C 916846880 HCWJUOCDIFPFQQ-QGZVFWFLSA-N 437.590 5.251 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCc3ncc(-c4ccccc4)o3)n2)cc1 916975370 YQDLDLFVYYZZLF-HXUWFJFHSA-N 427.529 5.973 30 20 IKED N#C[C@H](C(=O)CCSc1nc2ccccc2s1)c1nc2cc(Cl)ccc2s1 917046604 LHBZKMOAZBXDEJ-GFCCVEGCSA-N 429.979 5.918 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(CC(C)C)cc2)cs1 917564170 YQKCWVKQAFSOIS-JLHYYAGUSA-N 438.980 6.576 30 20 IKED C/C=C/c1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)c(OC)c1 920138682 HOEYOJKQYJYXBX-PXPVJAHISA-N 434.517 5.116 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)c(Cl)c3)n2)cc1 920139842 ZHFLQJZVZVCSIQ-LRDDRELGSA-N 447.343 5.769 30 20 IKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)S)CCC3)cc2)[nH]c2c(Cl)cccc12 1788501783 ZXUULJXDUXKEKK-AWEZNQCLSA-N 441.984 5.196 30 20 IKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cccnc3)CCC2)cc1)c1ccccc1 1789601841 FHISSLFDQCJMPV-RUZDIDTESA-N 437.543 5.027 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)Cn3cnc4ccccc43)CCC2)cc1 1789625434 DGZDIZAGDRTVGW-UHFFFAOYSA-N 444.579 5.163 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)COc3ccccc3C#N)CCC2)cc1 1789628742 ZQYVGLAUBISJFA-UHFFFAOYSA-N 445.563 5.064 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)Cc3cc4ccccc4n3C)CCC2)cc1 1791726415 TYGSOKMYWUPHMP-UHFFFAOYSA-N 441.575 5.049 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)cc2)CCC1 1792173868 MBVRIFUVSKYUJZ-UHFFFAOYSA-N 432.417 5.006 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)cc2)CCC1 1792242506 TXVSGJKTIKDUSW-UAPYVXQJSA-N 434.502 5.293 30 20 IKED CC(C)=CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C#Cc3ccccc3)cc1)C2 1799991690 ZIUJQFAITPOQEU-LGKQTMLJSA-N 440.587 5.085 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3oc4ccccc4c3C)CC2)C1 1805454854 GUZFBPBBNWBFLU-UHFFFAOYSA-N 434.580 5.354 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)ccc2C)[C@H]1c1cccnc1 1813768066 JNNVABCCTXEFRP-ISKFKSNPSA-N 433.596 5.010 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C)c(OC)c2)[nH]n1 1814442062 XEHLPDVRIUFOAP-HXUWFJFHSA-N 438.572 5.025 30 20 IKED CC1(C)CCC(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)CC1 1820485772 DONYBHRSKBQZHC-QFIPXVFZSA-N 447.583 5.194 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821612119 XWDHVMUTQVZVIZ-HXUWFJFHSA-N 428.492 5.191 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)C1 1828150778 VZJCCKLDYKMOPB-QHCPKHFHSA-N 439.987 5.021 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(C#N)c2)CC1 1830770774 GRTIOUZVBIBABK-DEOSSOPVSA-N 435.612 5.092 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2oc(-c3ccccc3)cc2[nH]1 1847264175 UIRDTPZFWMHORJ-VXKWHMMOSA-N 445.563 5.236 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2cccc(C)c2C)cc1 10167900 IXTHDROVXOKBMA-UHFFFAOYSA-O 445.652 6.502 30 20 IKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2)[n+]2ccc(C(C)(C)C)cc2)cc1 10829690 SVRBVCQALVUDHG-UHFFFAOYSA-O 449.615 6.585 30 20 IKED Cc1cc(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)c2ccccc2n1 16220500 QEJIICVMUACZMZ-UHFFFAOYSA-N 444.535 5.134 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)nnc1-c1ccco1 23202341 UEDRNCAHQFHQFG-LBPRGKRZSA-N 447.442 5.646 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2cccc(F)c2)CCCC1 32042207 HJDDNUPKBKOYFO-ZIAGYGMSSA-N 425.388 5.663 30 20 IKED C[C@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)C(=O)Nc1cccc(C#N)c1 45231606 WBEDHBULTGXXTP-HNNXBMFYSA-N 428.492 5.427 30 20 IKED C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)Nc1ccccc1C(F)(F)F 72040924 LHTWJMFJQVJNQR-OAHLLOKOSA-N 425.410 5.808 30 20 IKED C=C(C)COc1cc(CN[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)ccc1OC 237289085 ZQYCZDQZGYKSTA-IBGZPJMESA-N 431.536 5.148 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 303024416 RVUVMCCUIWNZKE-LJQANCHMSA-N 429.520 5.538 30 20 IKED C=CCn1c(SCc2ccc(F)cc2C#N)nnc1-c1ccc(Br)cc1 303193668 MSDUAJJCXKYSLK-UHFFFAOYSA-N 429.318 5.197 30 20 IKED CC(=O)c1ccc(Cl)c(Cl)c1OCC(=O)Nc1sc2c(c1C#N)CCCCC2 303233073 YTFLVFGMSDYTNJ-UHFFFAOYSA-N 437.348 5.416 30 20 IKED CC(=O)c1ccc(Cl)c(Cl)c1OCC(=O)Nc1ccccc1S[C@H](C)CC#N 303254403 CUGAHGIHWCKHHA-GFCCVEGCSA-N 437.348 5.608 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(Cc3ccccc3)no2)nnc1-c1ccc(Cl)cc1 303803051 BDDZMFITWFGQSF-HNNXBMFYSA-N 437.956 5.612 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2SC[C@H](C)C#N)c1 303894688 PFXJBSWKUUWGCR-OAHLLOKOSA-N 429.973 5.829 30 20 IKED CN(C(=O)c1ccc(NC(=O)c2cccc(SCC#N)c2)cc1Cl)C1CCCCC1 429853813 LZBFPDDMIPSTAK-UHFFFAOYSA-N 441.984 5.613 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(C#N)cc1Cl 430370342 SJVASWDXTOAFLF-GFCCVEGCSA-N 432.332 5.780 30 20 IKED N#CCC[C@H](NC(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1)c1ccccc1 433668408 BVKPONFDHMAKGU-SFHVURJKSA-N 442.306 5.742 30 20 IKED N#CCCCOc1cccnc1NC(=O)CCSc1ccnc2cc(Cl)ccc12 433959247 SUWGLGBMVAQHNW-UHFFFAOYSA-N 426.929 5.087 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccn(-c2ccc(F)cc2)n1 437437558 GTQALYGHZFWIEC-INIZCTEOSA-N 440.569 5.278 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)cc1F 437463961 BHALBDYSHPSYOE-IBGZPJMESA-N 449.507 5.185 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 437758853 NEPURDRDXSNUKN-WHSLLNHNSA-N 447.526 6.715 30 20 IKED C[C@@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nc(Cc2ccc(Cl)cc2)no1 439590101 JAWKLNINAMBPNI-MRXNPFEDSA-N 430.895 6.151 30 20 IKED CCCc1c(NC(=O)c2coc(-c3ccccc3Cl)n2)cnn1-c1cccc(C#N)c1 440094770 JQCZWRSPGDXMIU-UHFFFAOYSA-N 431.883 5.257 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)CC1 440446977 NWGDXXWUJLCHMA-UHFFFAOYSA-N 428.454 5.115 30 20 IKED Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 441268263 KMDAYGHWWVSQMY-CBQOVEMMSA-N 435.593 5.123 30 20 IKED CC(C)(C)Cc1nc(-c2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)c2)no1 442669682 HSQQBLZFZHGUPD-LJQANCHMSA-N 442.544 5.939 30 20 IKED C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(Br)s1 444763467 DJFBCESGQBSLPD-NSHDSACASA-N 438.416 5.002 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(-c2nc3cccc(Cl)c3s2)cc1 448146022 LRKIOJQRSMVGNS-UHFFFAOYSA-N 447.951 5.959 30 20 IKED C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 460568227 TXGJDBVCIGUQRT-OAQYLSRUSA-N 441.583 5.231 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCOc3c(F)ccc(F)c32)cc1 463490323 LYVZJZAEMCQRAH-JOCHJYFZSA-N 449.457 5.255 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3cc(-c4ccc(Cl)cc4)c[nH]3)ccc21 469821309 NUPRPSFVWPOBBN-UHFFFAOYSA-N 432.911 5.170 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@H](c3cccc(F)c3)C3CCCC3)ccc21 470539499 YRBOEXGIUSZNSG-VWLOTQADSA-N 448.542 5.462 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCC[C@@H]3CCCc3ccccc3)ccc21 470547201 QDVOSJHCHCWPSD-DEOSSOPVSA-N 444.579 5.289 30 20 IKED Cc1csc(NC2CCN(C(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CC2)n1 474009355 KMMVCHWPNYWSPM-SFHVURJKSA-N 445.592 5.337 30 20 IKED C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccc(-c2cccnc2)cc1 475021960 DOKNVMDGPJZWSE-KRWDZBQOSA-N 439.544 5.550 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@@H]1CCCC[C@H]1N(C)C1CCN(C)CC1 475564298 ACHIXLRDRXDGHD-JWQCQUIFSA-N 440.676 5.339 30 20 IKED Cc1coc(-c2cc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)ccc2C)n1 478516081 NHXRJNVSOFNEBE-UHFFFAOYSA-N 439.540 6.375 30 20 IKED C=CCCCC(=O)Nc1cccc(NC(=O)c2ccccc2I)c1C 479573248 ICITYUSAJIFQIJ-UHFFFAOYSA-N 448.304 5.147 30 20 IKED Cc1ccc([C@@H]2COCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)o1 480354092 GTBQJHFAXOFDSI-IRLDBZIGSA-N 435.911 5.502 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 480591104 HHMRQYYFCOGEBQ-HOTGVXAUSA-N 448.514 5.500 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)N[C@H](c3ccc(Cl)cc3)C(F)(F)F)CC2)c1 482359693 DGERAUACQFXVHW-LJQANCHMSA-N 437.849 5.068 30 20 IKED N#C[C@@H](C(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1)c1cnc2ccccc2n1 483199485 JNUKGXJDBLPUEX-CQSZACIVSA-N 435.270 5.614 30 20 IKED Cc1ccc(F)c(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1Br 484680292 PMQGLDLDDCVKAL-UHFFFAOYSA-N 439.284 5.600 30 20 IKED Cc1nc(C(F)(F)F)sc1C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 484857578 KYFIDHGIDBHIPS-UHFFFAOYSA-N 438.328 5.066 30 20 IKED COc1cc(NC(=O)N(CCC#N)CCC(C)C)c(Br)cc1Br 484956517 XRCCISQELMDKSL-UHFFFAOYSA-N 447.171 5.014 30 20 IKED N#C[C@H](C(=O)c1ccccc1COC1CCOCC1)c1nc2cc(Cl)ccc2s1 487932337 RKNWPHCTTCLIRP-GOSISDBHSA-N 426.925 5.135 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N[C@@H](C)c3cc4ccccc4o3)o2)cc1 489756495 KZIPROZUKXDSQX-JKSUJKDBSA-N 449.532 5.406 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3coc(-c4ccc(Cl)cc4)n3)o2)cc1 489795177 VFNAXEPSDNKSHI-UHFFFAOYSA-N 425.897 5.902 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(C)c(C(F)(F)F)c2)cc1C 495355851 VYSFXGBQTCOWNK-UHFFFAOYSA-N 426.442 5.660 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)NC(=O)c1ccc(Cl)cc1 498491428 RCVCENBUPFTLME-QGZVFWFLSA-N 449.913 5.011 30 20 IKED Cc1cccc2oc(CCNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)nc12 500393751 BUMBTUAXDWCJAI-UHFFFAOYSA-N 440.503 5.146 30 20 IKED C=CCc1cc(CN[C@@H]2c3cc(Br)ccc3SC[C@H]2C)cc(OC)c1O 500913395 CBQLFSLWVKDIQV-XCLFUZPHSA-N 434.399 5.465 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)cc1 502164430 ZQIRIHWWOOPCSY-CLJLJLNGSA-N 449.554 6.184 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c2)cc1 503572773 PUDANZACUAYQHW-IBGZPJMESA-N 429.888 6.104 30 20 IKED CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1 507667436 VLAZEWONCHAORL-XMMPIXPASA-N 433.571 5.575 30 20 IKED COCCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)[C@@H](C)c1ccccc1 508274030 BLEKJAYLAKQSHV-IBGZPJMESA-N 445.519 5.601 30 20 IKED C=CCn1c(-c2ccoc2)nnc1N1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 508502596 BZQRUYVPBVOCEI-KRWDZBQOSA-N 447.564 5.240 30 20 IKED C=CCOc1c(Br)cc(CNCc2ccsc2Br)cc1OC 509441480 YBSFEUGANHBJJB-UHFFFAOYSA-N 447.192 5.136 30 20 IKED CCN(C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)[C@@H](C)c1ccc(C#N)cc1 509615136 FORNVKOBLOPLJL-FQEVSTJZSA-N 439.559 5.173 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccccc2)cc1Cl 511504746 ISEUMCBIRIKELP-UPVQGACJSA-N 443.934 5.298 30 20 IKED Cc1ccccc1-n1nc(C)c(CN(C)Cc2cn(CCC#N)nc2-c2ccccc2)c1C 511878852 ZCUOLWHKZMUTJE-UHFFFAOYSA-N 438.579 5.207 30 20 IKED Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 512731378 YQVWERZFWVAZFY-UHFFFAOYSA-N 427.435 5.492 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cc2)cc1 512948788 QUJMATRLZJRJLK-JOCHJYFZSA-N 436.496 5.554 30 20 IKED C=C(C)Cn1c(SCC(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)nnc1-c1ccco1 513003880 LIQXECAIIGUIEG-WKCHPHFGSA-N 448.592 5.144 30 20 IKED CCN(C(=O)c1cccc(COc2ccccc2C#N)c1)[C@@H](C)Cc1ccc(OC)cc1 513274664 WDWPYAKYXAVBIB-FQEVSTJZSA-N 428.532 5.239 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc(OCC(F)(F)F)cc3)c2)c1 515421005 QWHXDJKIMRWYLR-UHFFFAOYSA-N 426.394 5.331 30 20 IKED CCC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1 515916756 GNJSEGJQTHGOTQ-JOCHJYFZSA-N 447.922 5.600 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccccc1Oc1cccc(C)c1 516053608 ILYMIPSYIUESDB-UHFFFAOYSA-N 427.504 5.036 30 20 IKED N#CCCCOc1cccc(CN[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c1 516985100 DDKBCAJYTBTYMY-QHCPKHFHSA-N 432.486 5.645 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CSc1ccc(F)c(F)c1 517461203 DBNQKMZKQFGHNN-UHFFFAOYSA-N 432.439 5.720 30 20 IKED N#C[C@H](NC(=O)CCCc1ccc(Br)s1)c1ccc(Cl)c(Cl)c1 518320706 WEJUESFVNMOPOB-AWEZNQCLSA-N 432.170 5.521 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3occc3COc3ccccc3)n2)cc1 518515445 IGPKVHYJOSMUSC-HXUWFJFHSA-N 430.485 5.481 30 20 IKED CN(C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccc(F)c(F)c1 518811035 LHRQJWIOPRZIPH-UHFFFAOYSA-N 443.290 5.124 30 20 IKED CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c(C)c1 519979264 ZTIHGCCUXLYWPL-IBGZPJMESA-N 441.531 5.226 30 20 IKED N#C[C@H](C(=O)c1oc2ccccc2c1CSc1cccs1)c1nc2ccccc2s1 520075422 DSOYOPZJPJWOCJ-OAHLLOKOSA-N 446.578 6.886 30 20 IKED CCN(Cc1ccc(CN(C)C)cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 520194468 VRWILNMVFFSNNT-UHFFFAOYSA-N 428.536 5.466 30 20 IKED Cc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c(-c2nc3ccccc3[nH]2)c1 521092249 OMPBYHSRGABLSW-UHFFFAOYSA-N 445.482 5.850 30 20 IKED CCN(Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1)C1CC1 523958911 HILIKSKZOBCHSH-QFIPXVFZSA-N 426.545 5.156 30 20 IKED Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1C)CCC2 524151902 CHWHOMKXNOZPFH-QFIPXVFZSA-N 432.549 5.965 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccccc1C(F)(F)F 524440010 UPRJEGCPIQERRO-UHFFFAOYSA-N 439.437 5.786 30 20 IKED CCCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 524442626 UQXQCPMEKMOPFP-UHFFFAOYSA-N 431.511 6.029 30 20 IKED CCOc1ccc(NC(=O)c2ccc(NC(=O)CSc3ccc(C#N)cc3F)cc2)cc1 524987797 LLKMVQAYFYMLHY-UHFFFAOYSA-N 449.507 5.079 30 20 IKED C[C@H](NC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1)c1ccc(C#N)cc1 525114438 WXVJMKQTEYAHSK-NRFANRHFSA-N 440.543 5.063 30 20 IKED C=CCOc1c(Br)cc(/C=C\c2ncc(C(=O)O)c(C(C)C)n2)cc1OCC 525338952 KGULQDVTJFYBEG-FPLPWBNLSA-N 447.329 5.195 30 20 IKED Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)c1ccc(CC#N)cc1 534001057 QZVIFPJDINRMTH-UHFFFAOYSA-N 426.495 6.050 30 20 IKED CC[C@H](C)n1ncc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1C1CC1 534246133 HQAVNCZMUJZGAW-HNNXBMFYSA-N 434.927 6.301 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)Nc3cc(C(C)(C)C)sc3C#N)s2)cc1OC 534520008 PDAXZTMDIWMJDJ-UHFFFAOYSA-N 441.578 5.619 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC1(c2ccc(F)cc2F)CCOCC1 536333854 SENWBGBFDBDRIP-OAHLLOKOSA-N 431.508 5.186 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 537244448 WOYYCQLDCVGZTE-BJKOFHAPSA-N 449.457 5.589 30 20 IKED C=CCCC[C@@H](C)NC(=O)Nc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1 538347688 QVFDNGUDTVFYHM-PBHICJAKSA-N 431.968 5.219 30 20 IKED Cc1cc(CN2CCSCC2)ccc1NC(=O)c1ccccc1Oc1ccccc1C#N 539756141 DXHDSYCYZUNMFY-UHFFFAOYSA-N 443.572 5.460 30 20 IKED Cc1cc(NC(=O)N[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)nn1CCC#N 540813310 DRHOPKSZVYZJDQ-HXUWFJFHSA-N 428.323 5.323 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 541636212 OMLQZLMOQKHGIU-WIYYLYMNSA-N 437.433 5.402 30 20 IKED CCO[C@H](C)c1nc(CN(C)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cs1 543016011 CPGATAIVWJIVFJ-ZWKOTPCHSA-N 448.592 5.682 30 20 IKED C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccc([N+](=O)[O-])cc1F 543482639 JYWXGLDULLBJGI-NSHDSACASA-N 441.406 5.501 30 20 IKED Cc1c(C#N)c(NC(=O)CCN[C@H](C)c2oc3ccccc3c2C)n(Cc2ccco2)c1C 543515632 FGZXTRBLDQDKDS-GOSISDBHSA-N 444.535 5.352 30 20 IKED C[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 543863472 FUJOTOSZLJNNHN-SECBINFHSA-N 429.807 5.258 30 20 IKED C[C@@H]1Sc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2NC1=O 548927255 IFRLURDHKLQUHA-XHDPSFHLSA-N 439.949 5.386 30 20 IKED COc1cccc(OC)c1OC1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 549711136 LECAIVIWLVFJMP-UHFFFAOYSA-N 428.532 5.286 30 20 IKED C=CCN(Cc1nnc(-c2cccc(Cl)c2)o1)Cc1cc(Br)ccc1F 552716408 NUBCAQLHPZXSIR-UHFFFAOYSA-N 436.712 5.480 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1OCC(C)C 553070879 BPBTYNLWMBDKGK-QZTJIDSGSA-N 441.597 5.864 30 20 IKED C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1ccc(Sc2ccccc2C#N)cc1 557489810 VQRCUFOHKOCJES-KRWDZBQOSA-N 443.576 5.176 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(-c3cccc(C#N)c3)no2)cc1 562600774 ZYTSXTBAXIEXFX-UHFFFAOYSA-N 434.455 5.111 30 20 IKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 565863088 NGWLSZNLYCEMAF-OAHLLOKOSA-N 440.425 5.989 30 20 IKED CCc1ccc([C@H](C#N)NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)cc1 576311403 IHDZQVQJWVMGPP-QHCPKHFHSA-N 449.620 5.032 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC2(CC1)OCCc1ccsc12 578672944 BHVXEPIHZPFUTL-UHFFFAOYSA-N 441.000 5.305 30 20 IKED CCCc1c(NC(=O)[C@@H](C)c2ccc(C(=O)C(C)C)cc2)cnn1-c1cccc(C#N)c1 579811884 SNFMXRSFRCAKRF-SFHVURJKSA-N 428.536 5.277 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2cccc(Cl)c2SCC(F)F)c1 583960917 BAMSFRPACRRYMK-UHFFFAOYSA-N 425.888 6.024 30 20 IKED C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 589051410 KMCCDDMEDMGHSK-MXWKQRLJSA-N 437.302 5.062 30 20 IKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 589537702 ZJJNRLUMESOUSP-INIZCTEOSA-N 439.302 5.216 30 20 IKED COc1ccc2cc(CNC(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)ccc2c1 603650455 ZJPNMTZZXHLKKO-UHFFFAOYSA-N 428.517 5.089 30 20 IKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3nc(N4CCCC4)ncc3Cl)c2C#N)C1 603751123 KKXQNQJWVPEORA-ZDUSSCGKSA-N 444.004 5.067 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1cccc(OCCCC#N)c1 603972089 QIYRSTJFANEUOI-UHFFFAOYSA-N 441.940 5.619 30 20 IKED CC(C)OCCCn1c(S[C@@H](C#N)Cc2ccccc2)nc2cc(Cl)ccc2c1=O 604071342 CBDIYAOVZSMMEH-LJQANCHMSA-N 441.984 5.092 30 20 IKED Cc1cccc([C@@H]2CCCN2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 604084769 IOAJPQDQWYDYDS-IBGZPJMESA-N 435.578 5.380 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCN(c4nc5ccccc5o4)CC3)cc2)cc1 604456734 SWGLYJYHDQINAX-UHFFFAOYSA-N 438.487 5.347 30 20 IKED C=CCn1c(S[C@H](C)c2ccncc2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 605076076 HSHZGCZVLROQOV-CQSZACIVSA-N 437.565 6.007 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3cc(C(C)C)nc4c3c(C)nn4C(C)(C)C)[nH]c12 605363589 NAXSIZWZZJJHAD-QGZVFWFLSA-N 428.540 5.293 30 20 IKED CN(C(=O)c1cc2ccccc2n1CC#N)[C@@H]1CCSc2ccc(Br)cc21 609175714 XMPOBHCARILCHH-GOSISDBHSA-N 440.366 5.236 30 20 IKED C[C@H]1CN(Cc2ccc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)cc2)C[C@@H](C)O1 609177159 KPHHAWFTOYKHQT-BGYRXZFFSA-N 441.531 5.212 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Cc1cccc(OCc2ccccc2Cl)c1 609262250 YPVHNQCJNXFBRZ-UHFFFAOYSA-N 448.950 5.008 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 609398379 XKQOVFGXYMLHSM-QGZVFWFLSA-N 447.564 5.400 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccccc1S[C@@H](C)CC#N)O[C@@H](C)C2 609428361 CSAUAJCYZZXBDH-DUPRYPCISA-N 436.577 5.545 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](Cc1ccccc1)c1ccccc1 609436050 UIQAKTDDWLQXDW-AUSIDOKSSA-N 443.572 5.120 30 20 IKED Cc1cc(Oc2ccccc2)ccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 609452138 SJFYYGCGIVRZPT-UHFFFAOYSA-N 427.504 5.734 30 20 IKED Cc1cc(F)ccc1-c1ccc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1F 609762247 MJORMDIGQQGEBB-UHFFFAOYSA-N 434.442 5.272 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 610042038 VOELTQOABXZZLC-UHFFFAOYSA-N 438.237 5.274 30 20 IKED N#Cc1cnc2c(F)ccc(F)c2c1N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 610278570 WQLLMDHCWAYBDE-UHFFFAOYSA-N 444.844 5.032 30 20 IKED C[C@H](NC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1)c1cccc(C#N)c1 610324372 DBFGPCQREJPOIW-DFBJGRDBSA-N 438.531 5.418 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1 610684974 LWXOZHLJLNRBOJ-IAGOWNOFSA-N 442.359 5.472 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2cccnc2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 620304092 AGZAFMCYNCOTHJ-QGZVFWFLSA-N 439.418 5.992 30 20 IKED Cc1nc(COc2cccc(C(=O)Nc3cccc(C#Cc4ccccn4)c3)c2)cs1 640549054 OTLOQAQTDDNBHR-UHFFFAOYSA-N 425.513 5.078 30 20 IKED C=CCn1c(SCCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1ccc(OC)cc1 644495869 FIMKWLUXOFTJCZ-UHFFFAOYSA-N 446.935 5.053 30 20 IKED Cc1ccc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c(OCC(F)(F)F)c1 674560429 BJROAIIUSZZOFB-UWVGGRQHSA-N 438.290 5.141 30 20 IKED CC1(C)C[C@@H](NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ccc(F)cc2O1 675878688 CXPBSGVNJOOCLR-UHIISALHSA-N 442.375 5.200 30 20 IKED C#Cc1cccc(NC(=S)Nc2cc(S(=O)(=O)Nc3ccc(C)cc3C)ccc2C)c1 726434051 DYYBGSHCOGMYKT-UHFFFAOYSA-N 449.601 5.203 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C[C@H](c1ccccc1)N1CCOC1=O 728246421 YWIIMJYQVFBROV-XMMPIXPASA-N 441.487 5.181 30 20 IKED Cc1ccc(-c2noc([C@H](C)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)n2)cc1F 728298327 SAZKRZUQVJKGEM-INIZCTEOSA-N 446.457 5.947 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 729375467 HAOVVSPMXMDHHH-UHFFFAOYSA-N 443.503 5.879 30 20 IKED N#C[C@@H](C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1nc2cc(F)ccc2s1 730422570 YRAKNWMNPRFZPP-PZJWPPBQSA-N 442.471 5.380 30 20 IKED C[C@@H](c1nnc(SCc2ccc(OCC#N)cc2)n1-c1ccccc1)N1CCCCC1 731156317 OOBNTJILFRLQLY-IBGZPJMESA-N 433.581 5.009 30 20 IKED C=CCn1c(Sc2nc(O)c3ccccc3n2)nc2scc(-c3ccccc3)c2c1=O 731917731 ONRDTYZNUNATRT-UHFFFAOYSA-N 444.541 5.111 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)c1nc2cc(F)ccc2s1 732597484 GFGWDNJUYDZMGG-FDFHNCONSA-N 442.515 5.994 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc3nc(SC)sc3c2)ccc1OC 733617755 LVKNVKGGPCFPNN-HNNXBMFYSA-N 442.566 5.029 30 20 IKED C[C@@H](Oc1ccc(F)cc1Cl)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 733681287 SILUEGAOVOAITM-SKDRFNHKSA-N 442.821 5.751 30 20 IKED CC(=NN=c1cc(C(F)(F)F)[nH]c(-c2ccncc2)n1)[C@@H]1C[C@@H]1c1ccccc1Cl 735976565 OGYRSNHVCAIKNZ-JKSUJKDBSA-N 431.849 5.224 30 20 IKED Cc1ccc(Sc2ncccc2C(=O)OCc2nnc(-c3cccc(C#N)c3)o2)cc1C 741831837 UZBMHMQRAOQHEW-UHFFFAOYSA-N 442.500 5.128 30 20 IKED Cc1ncsc1/C=C1\CN(Cc2ccccc2Cl)C/C(=C\c2scnc2C)C1=O 742435099 SCYUHAREESZXLD-ZEELXFFVSA-N 442.009 5.422 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C 742580779 GITHNMREGCWPRK-LJQANCHMSA-N 435.524 5.387 30 20 IKED COc1cc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)ccc1SC 747614743 NFWJCTYIZKTGGR-FLIBITNWSA-N 438.574 5.763 30 20 IKED Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1N=Cc1c(CO)cnc(C)c1O 747707318 GKORIHYUOKHMKF-LJQANCHMSA-N 440.330 5.609 30 20 IKED C=CCC[C@@H](NC(=O)NCc1cccnc1-n1ccnc1C)c1ccc(C(F)(F)F)cc1 749792421 QNTARQMLRYYEHB-HXUWFJFHSA-N 443.473 5.101 30 20 IKED C=CC[C@H](NC(=O)C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1)c1ccncc1 752724949 DDWMKWZDMLMJFA-MBSDFSHPSA-N 431.561 5.307 30 20 IKED CC(C)c1ncc(/C=C2/CC3(CCOCC3)C/C(=C/c3cnc(C(C)C)s3)C2=O)s1 758434230 OSTDBKWVZHCVSL-XFQWXJFMSA-N 442.650 6.473 30 20 IKED C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 760184290 ROHKPJOEZDTFLK-ABAIWWIYSA-N 437.710 5.203 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(N3CCCC3=O)ccc2Cl)cc1 760351955 XHBLPHFOOFXHAG-QFIPXVFZSA-N 429.907 5.375 30 20 IKED Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2ccc(F)cc2OCC#N)cc1 760790565 VVVYZKXLYRVABB-UHFFFAOYSA-N 444.441 5.281 30 20 IKED COc1ccc2c(c1)c(C(=O)Nc1ccc(F)cc1OCC#N)c(C)n2Cc1ccccc1 760795624 DKHOIBGZEJFHJA-UHFFFAOYSA-N 443.478 5.300 30 20 IKED C=CCc1cc(CN[C@@H](c2ccccc2)c2nc(-c3ccccc3)no2)cc(OC)c1OC 762636362 ZDBWQLUWCLWRHM-DEOSSOPVSA-N 441.531 5.362 30 20 IKED Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)OC[C@H](C#N)Cc1ccc(F)cc1 772654090 XCBZMNXTJXPEHK-HNNXBMFYSA-N 431.389 5.082 30 20 IKED CC(C)N(Cc1ccc(NC(=O)c2ccccc2SCC#N)cc1)C[C@@H]1CCCCO1 775560271 QSRLAMNCZFKWTR-QFIPXVFZSA-N 437.609 5.334 30 20 IKED CC(C)(C)OC(=O)N1CCc2cc(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)ccc21 776881026 FJPRRQZPTPKVTM-KRWDZBQOSA-N 446.334 5.286 30 20 IKED CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl 777049298 NVITZGDNWBEZHI-UHFFFAOYSA-N 434.861 5.173 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1 777985930 WCUQVBBVVFZOTN-OAHLLOKOSA-N 445.510 5.442 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 780153929 MTCHNBPABUJGQE-GJZGRUSLSA-N 441.940 5.546 30 20 IKED CCOc1ccccc1-c1nnc(S)n1N=Cc1cc(Cl)cc(C(F)(F)F)c1 780201413 KSIOCVNWONXTEV-UHFFFAOYSA-N 426.851 5.187 30 20 IKED COCCc1ccc(Oc2ccc(NC(=O)Nc3ccccc3O[C@H](C)C#N)cc2)cc1 780577212 NKOZBTVRBWFQBV-GOSISDBHSA-N 431.492 5.603 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(-c2ccc(Br)s2)s1 782435169 OQLCMYFJOSAXKJ-LLVKDONJSA-N 433.352 5.782 30 20 IKED CCCc1c(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cnn1-c1cccc(C#N)c1 784715896 QABDXMAWUGLKTA-UHFFFAOYSA-N 445.523 5.296 30 20 IKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3ncccc3Cl)c2C#N)C1 796573701 UGIOQFSJHWZULH-CYBMUJFWSA-N 445.972 5.005 30 20 IKED Cc1ccc(-c2cc(C(=O)N3CCC(C#N)(c4ccccn4)CC3)c3ccccc3n2)cc1 800119327 KCJACDBIEVJPKX-UHFFFAOYSA-N 432.527 5.303 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)cc1 802614304 XWGNOJJEABRCQS-INVSNAKLSA-N 449.554 5.218 30 20 IKED C[C@H](OC(=O)C(C)(C)c1cc(F)cc(C#N)c1)C(=O)Nc1ccccc1Cc1ccccc1 803924375 HAXDTENCCHFZRH-SFHVURJKSA-N 444.506 5.136 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Cc3cncc4ccccc34)n2)cc1 805864921 RFOJZSJSGRNVID-AOMKIAJQSA-N 427.529 5.422 30 20 IKED N#C[C@H](C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1nc2ccccc2s1 915098584 YNPXYEYZSIDXPA-RHSMWYFYSA-N 444.343 5.084 30 20 IKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(CN4CCCCC4=O)cc3)c2C#N)C1 915138708 PUZHHWIKJOOTPM-LJQANCHMSA-N 449.620 5.536 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(OC)c1 915351554 DWEZUTBXGMZKAK-RPBOFIJWSA-N 441.531 5.728 30 20 IKED CCOc1cc(/C=C\C(=O)c2cc3ccccc3o2)ccc1OCC(=O)Nc1ccccc1 916138518 ULQIBIFOCAEYHK-OWBHPGMISA-N 441.483 5.745 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1 916679504 QBVIVGCIDDPVDW-ILBGXUMGSA-N 434.543 6.235 30 20 IKED Cc1cc(O[C@H](C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1Cl 917042915 IAJNBJTYZFXLHU-BXUZGUMPSA-N 438.858 5.921 30 20 IKED N#C[C@@H](C(=O)/C=C\c1nc2ccccc2s1)c1nc2cc(C(F)(F)F)ccc2s1 917042931 JDMFTEFCXIOKFB-VFFGBVLKSA-N 429.448 5.814 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)c(C)n1-c1ccc(Br)cc1 917510081 LGXIKWDTZFFFNB-SFHVURJKSA-N 434.293 5.488 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(COc2ccc(C)cc2C)o1 920109546 QXFSJXOUSHWQGN-QFIPXVFZSA-N 444.531 5.561 30 20 IKED C=C(Br)CNC(=O)c1ccccc1Sc1ncnc2sc(C)c(C)c12 921086235 GEODXWPKLUBOSM-UHFFFAOYSA-N 434.384 5.098 30 20 IKED Cc1nc(O)c2ccc(C(=O)Nc3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)cc2n1 1277208500 ZKNZHXALZSICBP-UHFFFAOYSA-N 447.310 5.186 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](F)c4ccccc4)cc3)CCC2)cc1 1786613362 NNBAQXSKHQTJSL-DEOSSOPVSA-N 441.506 5.211 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccn4ccnc4c3)CCC2)cc1 1789626531 URXWLLKYHJCWGL-UHFFFAOYSA-N 430.552 5.074 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c3c(Cl)cccc13)C2 1798593319 BZXDDYRSHQJZTD-BJWYYQGGSA-N 427.976 5.066 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccccc2)c(F)c1 1799339730 BNNWRZVVRZGXGO-KIHHCIJBSA-N 446.566 5.513 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)cc2F)CC1 1824143394 NBQKEILVHZIYTP-DEOSSOPVSA-N 426.576 5.136 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cccc(C)c3[nH]2)CC1 1828546247 PVMHAIXOLKOYSV-UKILVPOCSA-N 447.623 5.478 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)cc2F)CC1 1828822782 ANROASJEBSXCGU-OFNKIYASSA-N 446.994 5.481 30 20 IKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2)CC1 1829997562 IMGGCRJHCJFBTJ-QFIPXVFZSA-N 448.529 5.132 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccncc23)CC1 1830859461 ZNGBAYKAEFPBEJ-VWLOTQADSA-N 447.623 5.461 30 20 IKED CCc1cccc(CC)c1Nc1nnc(SCC(=O)Nc2sccc2C#N)s1 16681036 AXHVQFQGVXKNNU-UHFFFAOYSA-N 429.596 5.070 30 20 IKED CC(C)c1ccccc1-n1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1cccnc1 18282837 PDBDSOGBBMSBQG-UHFFFAOYSA-N 439.544 5.299 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)c1C#N 58299218 HVBWSSHARJYICS-UHFFFAOYSA-N 439.544 5.203 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 63401048 HPIZJEXPNXIFCN-UHFFFAOYSA-N 448.504 5.362 30 20 IKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)ccc1OCCC(C)C 105263162 CNWFVILPNBJODF-OAQYLSRUSA-N 430.504 5.234 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3ccc(C(=O)N4CCCCC4)cc3)c2)c1 238165068 QYKXKPQYKZCLCC-UHFFFAOYSA-N 439.559 5.053 30 20 IKED C[C@@H]1SCCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)[C@H]1c1ccccc1 303729104 UPLPHJHRDZXLEC-IEGUWTFLSA-N 425.623 5.055 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(OC(F)F)cc1 409469981 IRYHWTORDXOFNW-UHFFFAOYSA-N 443.263 5.087 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(CCC#N)c3-c3ccccc3)n2)cc1 429117910 WBKREULCFQCCPT-FQEVSTJZSA-N 437.528 5.386 30 20 IKED CN(C(=O)c1ccc(Cl)c(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)c1)c1ccccc1 429667422 KIPXPWTUKFWBGR-UHFFFAOYSA-N 447.922 5.284 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccccc1 432995312 WVQSQZWDSGPISC-JOCHJYFZSA-N 428.467 6.046 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCOCC(F)(F)C(F)F)cc1Cl 434148975 WWJFNKZTDVMGFE-MRXNPFEDSA-N 443.828 5.034 30 20 IKED Cc1ccc(C)c(-n2ncc(NC(=O)c3occc3COc3cccc(C#N)c3)c2C)c1 437058789 AAHWUUKMVGIJIZ-UHFFFAOYSA-N 426.476 5.094 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 437847704 SSXCDGWPHABCCL-UXHICEINSA-N 439.441 5.195 30 20 IKED N#Cc1ccc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1C(F)(F)F 443891965 OMJQTWXKLRKZFY-UHFFFAOYSA-N 434.805 5.242 30 20 IKED CCCc1c(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cnn1-c1cccc(C)c1 446410769 BOOAJTWYCVIISI-UHFFFAOYSA-N 443.551 5.080 30 20 IKED C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@H]1c1nc2ccccc2s1 460380780 AQYZQRLMFBLAOV-PZJWPPBQSA-N 443.576 5.482 30 20 IKED O=C(c1ccnc(SCC(F)(F)F)c1)N(Cc1ccc(F)cc1)CC(F)(F)F 460479122 XYBYRRCLCPGMSK-UHFFFAOYSA-N 426.357 5.080 30 20 IKED COc1cccc([C@@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)c1 461501343 ZFNQIYNBQBXMMX-QHCPKHFHSA-N 441.560 5.277 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1 462264291 WKVFSBKUEJKFMZ-ZJSXRUAMSA-N 443.503 5.401 30 20 IKED N#Cc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)cc1F 464645093 UQCYKHKFEMDGDZ-UHFFFAOYSA-N 442.294 5.173 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cncc(-c4ccc(Cl)cc4)c3)n2)cc1 467073032 PMEJTPDTCGIIQW-NRFANRHFSA-N 440.915 5.887 30 20 IKED COc1ccc(-c2ccc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)nc2)cc1Cl 469879906 KFKSBXXBSNVSLL-UHFFFAOYSA-N 430.851 5.190 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 471274557 XXTXEPWUOBXPRW-CQSZACIVSA-N 430.455 5.395 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1 473668458 ZCRVYKASJUTUDM-UHFFFAOYSA-N 440.887 5.109 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)c1 473791237 XKVPHLMKUIEYBU-LJQANCHMSA-N 428.826 5.119 30 20 IKED N#CC[C@H](CC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1)c1ccccc1 474909681 QULUPIBZXIHVNY-GOSISDBHSA-N 449.913 5.435 30 20 IKED Cc1nc([C@@H](C)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)oc1-c1ccc(Cl)cc1 477762883 CPGAHVUENBQBNQ-QGZVFWFLSA-N 448.954 5.587 30 20 IKED CN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481624935 MGHFCKFVJKXBHE-UHFFFAOYSA-N 425.410 5.218 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3nnc(-c4c(F)cccc4Cl)s3)CC2)cc1 481922281 HXFIJGMQXVLOTB-UHFFFAOYSA-N 439.903 5.190 30 20 IKED CC(C)(C#N)c1ccccc1CSc1nnc(CN2CCCC2)n1Cc1ccccc1 487239192 IXGONTNWVSPYDR-UHFFFAOYSA-N 431.609 5.016 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@@H](CCCC#N)c4ccccc4)cc3)o2)cc1 487346935 UAXGYMGVTHIVCH-DEOSSOPVSA-N 436.515 5.877 30 20 IKED Cc1cc(F)ccc1CN(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 488088470 YBJCNPBWYYSALT-QFIPXVFZSA-N 449.913 5.040 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccccc1C 488904494 UKXHCZSXPGPBHT-LJQANCHMSA-N 434.609 5.991 30 20 IKED C=CCn1c(SCC(=O)c2ccc(NC(=O)CC)cc2)nnc1-c1cccc(Cl)c1 489639362 FRPVYOWXWRISLQ-UHFFFAOYSA-N 440.956 5.108 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3[nH]c4ccc(Cl)cc4c3Cl)c2)c1 490432001 MCCXJIAHHNEMJJ-UHFFFAOYSA-N 449.297 5.851 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)S(=O)(=O)c1ccc(C#N)cc1Cl 503823249 UPTMIGISBWXBPO-CQSZACIVSA-N 431.970 5.025 30 20 IKED Cc1nc2ccccc2n1CCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 503888683 VCQFVWTZXVCGBW-OAQYLSRUSA-N 443.938 5.475 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 504180273 HDVFNFUUNAGCDY-UHFFFAOYSA-N 439.408 5.501 30 20 IKED N#C[C@H](NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccc(Cl)cc1 505828328 USKYBLPCIVQKNA-SFHVURJKSA-N 431.801 5.541 30 20 IKED C=CCn1c(COCc2ccccc2)nnc1N1CCC(c2nc3ccccc3s2)CC1 508812140 JSMNNKVRNXRSBD-UHFFFAOYSA-N 445.592 5.175 30 20 IKED Cc1ccc(OCc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)o2)c(C)c1 512484490 PCAINUHADMGELA-HXUWFJFHSA-N 428.513 6.089 30 20 IKED N#Cc1c(F)cccc1-n1ccc(NC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 513090175 SGOLJAAPQKXRBQ-JOCHJYFZSA-N 437.478 5.063 30 20 IKED Cc1ccccc1-n1ncc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)c1C(F)(F)F 513686509 AKHWCXPVUSXTDE-CYBMUJFWSA-N 426.423 5.299 30 20 IKED C[C@H]1CCCN(c2ccc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)cc2[N+](=O)[O-])C1 514607534 FQSRBFUWDSYDRG-HNNXBMFYSA-N 447.520 5.079 30 20 IKED C=CCN(C(=O)c1nnn(-c2cccc(Cl)c2)c1C)c1nc(-c2ccccc2)cs1 515436401 SJPVCVHLBKCYJI-UHFFFAOYSA-N 435.940 5.185 30 20 IKED CCc1ccc([C@@H](C#N)NC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)cc1 517260951 PMLIPXIAPDBDOS-HSZRJFAPSA-N 449.620 5.127 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 517474320 OBCWGBUQGPVZQJ-MGPUTAFESA-N 439.972 5.236 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 517777468 UUWAGMUJDMYJGN-UHFFFAOYSA-N 437.547 5.076 30 20 IKED C[C@H](C#N)CSc1ccccc1NCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 518664930 ZALJIWOLHMGPDA-GFCCVEGCSA-N 425.888 5.244 30 20 IKED CC(C)[C@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)N1CCc2ccccc2C1 518685086 YUROAMUDFIHHMI-CVDCTZTESA-N 436.625 5.143 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cccc(OCC(F)(F)F)c2)cc1 519100670 WJGHJPYJBZJOQM-UHFFFAOYSA-N 426.394 5.331 30 20 IKED Cc1cc(I)ccc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 519906341 XXNVISDZBGSINK-UHFFFAOYSA-N 447.320 5.161 30 20 IKED C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)Nc1ccccc1S[C@H](C)CC#N 520195550 CLTCPHRXBXSVNV-LSDHHAIUSA-N 437.487 5.689 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N[C@H](C#N)c3ccc(Cl)cc3)cc12 521602538 CHMPRTFDTPEJQM-LJQANCHMSA-N 438.915 5.242 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 522072429 MSHGTYQPAWRXQL-IAGOWNOFSA-N 444.551 5.003 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)c1 522572357 RCLXREZNQTTYNL-IEBWSBKVSA-N 442.968 5.131 30 20 IKED CN1C(=O)CCc2cc(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)ccc21 522632480 AFXADWVKPUVLRS-UHFFFAOYSA-N 431.879 5.165 30 20 IKED COc1ccc(OC2CCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC2)cc1 524147238 ZPPHACKIVLJBNK-UHFFFAOYSA-N 428.488 5.043 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCN(c2ccccc2C)CC1 524438220 VRPHABOJTMUUAG-UHFFFAOYSA-N 440.547 5.108 30 20 IKED CN1CCC[C@H](CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@H]1c1cccs1 525036057 OQICWRDUVOEVDK-YKSBVNFPSA-N 431.561 5.225 30 20 IKED C=CCOc1ccc(CNC2(c3ccc(Br)cc3)CCOCC2)cc1Cl 525183920 MZQKIJUYTYALER-UHFFFAOYSA-N 436.777 5.463 30 20 IKED N#Cc1ccc(NC(=O)NCc2cccc(COCc3ccco3)c2)cc1C(F)(F)F 525742294 UQACPACSSAAHEY-UHFFFAOYSA-N 429.398 5.209 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(OCC2CCCCC2)CC1 532969082 CXUZRBOZOWBLAV-IBGZPJMESA-N 429.630 5.081 30 20 IKED CCO[C@H](C)c1nccn1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)CC)C2 534069554 QHUXIBWRMCSUJE-CVEARBPZSA-N 428.602 5.094 30 20 IKED CN1CC[C@@H](CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 534229070 CSSUBJQWSUORFC-HRAATJIYSA-N 428.939 5.095 30 20 IKED N#CCCSc1ccccc1NC(=O)c1cc(Br)cc(C(F)(F)F)c1 534472844 GSSJQZPVRMNSIS-UHFFFAOYSA-N 429.261 5.726 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1 534870943 QDFQMBRKZUPTOL-FQEVSTJZSA-N 426.516 5.367 30 20 IKED CCCc1nc(C(=O)N(CC)c2ccc(C#N)c(Cl)c2)nn1-c1ccccc1Cl 536972158 BQWYRBKZRNRCCP-UHFFFAOYSA-N 428.323 5.065 30 20 IKED C[C@@H](c1nnc(SCCCC2(C#N)CCOCC2)n1-c1ccccc1)N1CCCCC1 537467197 JZPRQNXHRHADQH-FQEVSTJZSA-N 439.629 5.007 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C(=O)OC(C)(C)C)cc3)n2)cc1 540021988 MBBUDDVHXUYEJX-LJQANCHMSA-N 434.517 5.264 30 20 IKED N#Cc1ccc(Br)c(C[S@](=O)[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 549689617 SPOILAVWPSFTJT-LVXARBLLSA-N 444.781 6.012 30 20 IKED CC(C)Oc1ccc([C@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1Cl 551516396 OQEVGZPZTHQVTO-KRWDZBQOSA-N 425.960 5.883 30 20 IKED CC[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccccc1OC(F)F 553787291 MASJELLBVLYUFO-IBGZPJMESA-N 447.457 5.003 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 554446037 DATJBATVCPQMIH-DYVFJYSZSA-N 438.380 5.490 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@H](c2ccc(F)cc2)C[C@H]1C 554926020 IBMOZMGQKQEBKV-JIYUALFRSA-N 432.543 5.231 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@@H](C)c1ccccc1Br 557561058 NSFDVSIDTQWODP-GJZGRUSLSA-N 449.439 6.276 30 20 IKED COCCC[C@H](CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1ccc(Cl)cc1 558104868 LQQLRVHBRUZXAK-GMKZXUHWSA-N 439.987 5.332 30 20 IKED Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 570367140 CNSIAHGCJIOOLX-XUZZJYLKSA-N 439.559 6.050 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 571908464 USOFYTYYAJTLCZ-UHFFFAOYSA-N 445.567 5.351 30 20 IKED Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 572890860 NGDPFRFOKMKLLN-UHFFFAOYSA-N 441.535 5.055 30 20 IKED N#Cc1ccc(N2CCC(c3nc(Cc4cccc(C(F)(F)F)c4)no3)CC2)c(F)c1 577916679 ZIWRZZGMJRCGTK-UHFFFAOYSA-N 430.405 5.074 30 20 IKED C=CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 580743143 UHZJDSGRLAEBCA-LJQANCHMSA-N 431.565 5.015 30 20 IKED Cc1cccc(O[C@H](C)c2nnc(N3CCC(CC#N)CC3)n2CCc2ccccc2)c1C 581738325 HDBOPBKVUWNQCV-JOCHJYFZSA-N 443.595 5.408 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N(Cc3cccs3)Cc3cccs3)cc2)ccn1 584321290 NUJPZEXGXHAMDH-UHFFFAOYSA-N 446.557 6.103 30 20 IKED CC(C)N(Cc1ccccc1F)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590979385 WBQYZZBQBYFFJD-ZIAGYGMSSA-N 428.392 5.655 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)ccc2Cl)cc1 599529014 DRKGGBOXCLXCCU-UHFFFAOYSA-N 430.935 6.074 30 20 IKED COc1ccc(-c2nc(C(=O)N(Cc3ccco3)c3ccccc3C#N)cs2)cc1OC 603533373 YWPIJNULHKQSAO-UHFFFAOYSA-N 445.500 5.139 30 20 IKED Cc1cc(Br)ccc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604004493 AMHHWRFWDQTIGG-UHFFFAOYSA-N 435.321 5.655 30 20 IKED CC1(C)CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)[C@@H]1c1ccccc1 604363019 RNOCLCVQDCWCGU-RUZDIDTESA-N 425.532 5.947 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@@H](c4ccccc4)CC3)s2)cc1 608995030 XRAWYRDJZQQPAW-HXUWFJFHSA-N 449.605 5.504 30 20 IKED Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)nn1-c1ccccc1 609105057 RWKWBVAKTZRQDL-UHFFFAOYSA-N 426.451 5.023 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H]3c3cccc4c3OCCO4)c2)cc1 609208660 CZPHEHYRCQHJQR-HSZRJFAPSA-N 441.487 5.491 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 609221900 JLHGQVRRYPJNFN-JSGCOSHPSA-N 442.947 5.461 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCO[C@@H](c3ccccc3)C2)cc1Cl 609253465 MRIHJNWIZNNGGF-UKILVPOCSA-N 445.950 5.991 30 20 IKED CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C(C)C)cc1 609436305 YTLCQGLFDWLPJL-MBSDFSHPSA-N 437.609 5.656 30 20 IKED CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1 609695298 NWNNUVKSHDQWLM-JGCGQSQUSA-N 446.572 5.437 30 20 IKED COc1cc(CSCC(=O)NCc2ccc(C)cc2)ccc1OCc1cccc(C#N)c1 609741157 PMJTYFZYWVZHHO-UHFFFAOYSA-N 446.572 5.004 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CN(Cc1cccnc1)c1ccccc1 609820568 BFGZPEKYEICPLU-UHFFFAOYSA-N 448.526 5.699 30 20 IKED COc1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1OCC(F)(F)F 609986988 QICZCANHJWXTQU-UHFFFAOYSA-N 441.409 5.504 30 20 IKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(OC4CCOCC4)cc3)c2C#N)C1 610221352 SWWISDGQMXSVRD-KRWDZBQOSA-N 438.593 5.581 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccc(-n2cncn2)cc1 611181834 WAUFPOGNKNCOLF-MRXNPFEDSA-N 443.894 5.076 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1nc(-c2ccc(Cl)cc2)cs1 613319839 QEFSMBQPOSHOQD-GOSISDBHSA-N 439.327 5.793 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cnn1-c1ccc(F)cc1F 613407317 QPFJQAKYRWAVGY-ZDUSSCGKSA-N 428.851 5.212 30 20 IKED N#CCCCn1cc(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ccccc21 618194634 KEHVFSVZSVBNEC-OKILXGFUSA-N 431.380 5.148 30 20 IKED C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 679567275 GSGKJIVXXXCVDI-IUCAKERBSA-N 444.326 5.412 30 20 IKED C[C@H](CNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 682406613 MYXCTMCNHHMYAF-ICCXJUOJSA-N 436.318 5.191 30 20 IKED O=C(Nc1ccc(Oc2ccccc2F)nc1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 683804020 FSJYZOLSHVRCAU-VXGBXAGGSA-N 437.315 5.218 30 20 IKED C=C(C)COc1cc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1OC 726608224 UBPNGKYJUAIHQI-UHFFFAOYSA-N 432.511 5.010 30 20 IKED N#CCCCOc1cccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1 726801780 MWLGWGPJSSUCQB-WOJGMQOQSA-N 432.929 5.567 30 20 IKED Cc1ccc(-c2cc(C(=O)N(CCC#N)c3ccc(C)cc3)c3cnn(C(C)C)c3n2)cc1 726940271 BZLHQEFRGPGWKE-UHFFFAOYSA-N 437.547 5.857 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](OC3CCCC3)c3ccccc3)n2)cc1 727050043 NSKSPMCKNRCECR-URXFXBBRSA-N 432.545 5.695 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)NC(=O)C1CCCCC1 727628739 XNGPAIVWYAPSFF-RDTXWAMCSA-N 429.973 5.115 30 20 IKED Cc1csc([C@H](C#N)C(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)n1 728147963 QKGRIKDXZWMHTO-OAQYLSRUSA-N 433.964 5.917 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(O)c(C)c2)ccc1OCC(=O)Nc1ccccc1 728230719 GELSEGFSSSODEQ-XFXZXTDPSA-N 431.488 5.013 30 20 IKED C=CCc1cc(CNCc2cc3ccccc3nc2N2CCCCC2)cc(OC)c1OC 729683222 HHVVSRHBCRLRHL-UHFFFAOYSA-N 431.580 5.261 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H]1CCc2c(OCc3ccccc3)cccc21 730426586 ADBQVLGIIUENJR-AREMUKBSSA-N 443.547 5.156 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1 730989858 PXPOMCWFOPVLRM-WIYYLYMNSA-N 437.565 5.068 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 731288040 OBNKRRMFABBREG-GVAUOCQISA-N 446.506 6.083 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1 731332275 HTFJDUKISXVJQM-GOSISDBHSA-N 437.565 5.068 30 20 IKED C=CCN(C(=O)c1cc(S(=O)(=O)CC)ccc1Cl)c1nc(-c2ccccc2)cs1 731457844 GKCMIPDHFYITRU-UHFFFAOYSA-N 446.981 5.090 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)OCc3csc(-c4ccccn4)n3)cc2)cc1 732377542 QCGQGZDKILXQNQ-UHFFFAOYSA-N 427.485 5.420 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2sc(-c3ccccc3)cc2OC)ccc1OC 733227808 DZYPTCVLTPCQSQ-GOSISDBHSA-N 436.533 5.043 30 20 IKED C[C@@H](OC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)N(CCC#N)c1ccccc1 733523286 NCZCTEYJDIOGNC-IAGOWNOFSA-N 432.442 5.078 30 20 IKED C[C@@H](Oc1ccc(F)cc1Cl)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 733679659 LBQCLYWOPKFQTA-ABAIWWIYSA-N 435.307 5.900 30 20 IKED O=[S@@](Cc1ccccc1)Cc1cccc(N=Cc2cc(Br)ccc2O)c1 734753537 WWXUVZHMDPOSCD-SANMLTNESA-N 428.351 5.354 30 20 IKED C[C@@H](SCc1cc(Cl)ccc1OCC#N)C(=O)Nc1ccccc1Br 735319411 ZYHQXIPBXGQFBV-GFCCVEGCSA-N 439.762 5.265 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1 738896349 OFWLTCCUEAKLKT-RCZVLFRGSA-N 441.506 5.608 30 20 IKED Cc1cc(Oc2ccccc2)ccc1NC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 743147534 SXOGSZPHQYLFKH-UHFFFAOYSA-N 442.519 5.264 30 20 IKED C=CCn1c(-c2ccccc2F)nn(CN(C)Cc2csc([C@H](C)OCC)n2)c1=S 743370685 GRROQXGYZBJTDW-HNNXBMFYSA-N 447.605 5.050 30 20 IKED Cc1ccc(N2C(=O)CC[C@H](C(=O)[C@@H](C#N)c3nc(C)cs3)[C@@H]2c2cccs2)cc1 744010026 CBOJQCOZXJGOHE-WAOWUJCRSA-N 435.574 5.182 30 20 IKED CCCCOc1ccc(C=NO[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1OC 744444298 UYIJNKDFCNBAIZ-OAHLLOKOSA-N 429.904 5.689 30 20 IKED Cc1nc(-c2cccc(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)c2)cs1 745674827 RISUWUHWSQTCDY-UHFFFAOYSA-N 429.501 5.027 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)C(=O)c1cccc(F)c1 747112410 DTQWBKGVUAMQHV-IUODEOHRSA-N 428.435 5.313 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc2c(c1)OCCO2)C(=O)c1ccccc1 747150309 OIENTSIVWHEOBL-QJOMJCCJSA-N 441.527 5.488 30 20 IKED CCCCOc1ccc(C=NO[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc1OC 747827560 RCEKDRFTCFAOIC-OAHLLOKOSA-N 429.904 5.689 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 751107072 HCZZDJQATILSSV-UHFFFAOYSA-N 438.237 5.274 30 20 IKED COc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1F 751826203 FLMDUXROUVRCLB-MRXNPFEDSA-N 442.899 5.451 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2csc(Br)c2)C2CC2)c1 752667183 HJUDPRHKVQOOJH-QGZVFWFLSA-N 448.386 5.066 30 20 IKED FC(F)(F)c1cc(NN=Cc2c[nH]nc2-c2cccc(Cl)c2)nc(-c2cccnc2)n1 755718087 VFQLXAGECIGJIB-UHFFFAOYSA-N 443.820 5.047 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2Cn2cnc3ccccc32)cc1 756302731 PDMNUBZUIWQHRP-BJKOFHAPSA-N 435.531 5.388 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(-c3ccc(Cl)cc3F)s2)cs1)C1CC1 758037952 BEOHEZLGCBQNKR-CLTKARDFSA-N 446.956 6.076 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)Nc3ccccc3Oc3cc(F)cc(F)c3)CCO2)c1 761874680 QHDGGVITQFKASY-QHCPKHFHSA-N 435.430 5.234 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Br)cc3C)n2)cc1 763005617 XYBVOJMHFYGPFS-SFHVURJKSA-N 441.350 5.309 30 20 IKED COc1ccc(NC(=O)CCSCc2cc(Cl)ccc2OCC#N)cc1Cl 764640628 MOVGDMYDUHWDST-UHFFFAOYSA-N 425.337 5.166 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@H]2c2ccccc2Cl)c1=S 764898383 FRYQMXKEZSBBDD-FQEVSTJZSA-N 425.989 5.500 30 20 IKED C[C@](O)(CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(Cl)c1 765154083 JNNJPKPEZUUEOT-VWLOTQADSA-N 449.938 5.014 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)c2cn(CCCC#N)c3ccccc23)c1 767836186 FXMFLCVNFSZVGH-UHFFFAOYSA-N 436.487 5.683 30 20 IKED C[C@H](NC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccc(OCC#N)cc1 776164718 VWAISJJOZKEVQH-KPDCDPCYSA-N 431.502 5.341 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)cc1 776909499 VPUDOZUCVBOEJA-UHFFFAOYSA-N 437.584 5.287 30 20 IKED COc1ccc2nc(NN=C(C)c3ccc(CNC(=O)OC(C)(C)C)nc3C)c(C)cc2c1 777913957 UIJYFJBGPDCYQL-UHFFFAOYSA-N 449.555 5.116 30 20 IKED C=CCC[C@H](C(=O)O[C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 778559872 XWNBQDMEFQYUDZ-AAEUAGOBSA-N 427.369 5.002 30 20 IKED N#C[C@H](C(=O)COc1ccc(Cl)c2cccnc12)c1nc2cc(Cl)ccc2s1 780314826 KVIUIYGWVAKRFR-CYBMUJFWSA-N 428.300 5.407 30 20 IKED COc1ccccc1[C@@H](NC(=O)Nc1ccccc1O[C@@H](C)C#N)c1ccccc1Cl 780676940 BEMDJVWKLQSVAL-HJPURHCSSA-N 435.911 5.551 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1 780933241 VRRVIIOZGLDZIL-YADARESESA-N 446.572 5.580 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1Cl 787051809 VFKKSMGMTWDVIO-ZUZCIYMTSA-N 429.225 5.212 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 789719505 REOYGWMCTDUFRS-VWLOTQADSA-N 425.528 6.245 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCOc2c1ccc(Cl)c2Cl 792780402 PZJSTIFKEVNLJS-IUODEOHRSA-N 436.364 6.033 30 20 IKED Cc1ccc(/C=C\C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)c(-c2cnn(C)c2)c1 802705970 YALDIQCKRJDPOG-KAMYIIQDSA-N 434.561 5.008 30 20 IKED COC(C)(C)c1nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)s1 810529589 JXJAYNRCWAXKTN-QGZVFWFLSA-N 449.532 5.087 30 20 IKED C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 812175996 NVPPQJBEKGZBLS-DYESRHJHSA-N 428.367 5.090 30 20 IKED Cc1cc(C(C)(C)C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)ccc1Br 813211251 GVQKJCWGMRJLJA-CQSZACIVSA-N 425.248 5.325 30 20 IKED C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(C(F)(F)F)nc1Cl 816764571 XJHGBFZSLBKRGK-LBPRGKRZSA-N 449.816 5.288 30 20 IKED COc1cc(C#N)cc(Cl)c1OC(=O)COc1ccc2ccccc2c1Br 818516488 SXIRPGVGUSMUSF-UHFFFAOYSA-N 446.684 5.120 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(-c2noc(-c3cn(CCCC#N)c4ccccc34)n2)c1 904634178 RIFQDGQQKFWDBK-UHFFFAOYSA-N 443.507 6.009 30 20 IKED COC(=O)c1coc(-c2noc(-c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)n2)c1 904955627 FSWWNNHWZCAHNL-UHFFFAOYSA-N 438.255 5.073 30 20 IKED COc1cc(C=NNCc2ccc(Cl)cc2Cl)ccc1OCc1c(C)noc1C 914696967 XINQXEGPOAIRNJ-UHFFFAOYSA-N 434.323 5.310 30 20 IKED Sc1nnc(-c2cccc(Cl)c2)n1N=Cc1sc(Oc2ccccc2)nc1Cl 915952335 YGNRFPFDFJHKBH-UHFFFAOYSA-N 448.360 5.672 30 20 IKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(C2CCCC2)C1=O)Nc1ccccc1F 916212499 NSXTZFACKRCWLQ-LJQANCHMSA-N 445.947 5.382 30 20 IKED CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916928471 LXTUDCJQQVPXIP-CQNRTFJUSA-N 425.356 5.118 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)[C@H](C#N)c1nc2ccccc2o1 917510212 XENVLMSUDWNTAG-INIZCTEOSA-N 439.302 5.356 30 20 IKED CCc1cccc[n+]1/C(C(=S)Nc1ccccc1C#N)=C(/O)c1ccc(CC(C)C)cc1 917612141 JJEAIRVQFHPPCM-UHFFFAOYSA-O 442.608 5.930 30 20 IKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(Cl)cc2)cc1 917612746 FXNOODBSIJWEPG-UHFFFAOYSA-O 448.999 6.120 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2Cl)cc1 917876160 GAXYZDBUYXJVSN-UHFFFAOYSA-N 428.231 5.818 30 20 IKED C[C@@H](OC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(Cl)c1 920839847 NUBYRWKZZIXDJP-CYBMUJFWSA-N 442.834 5.082 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Br)c(C)c1 1799786533 QMMPUVPXIWZGMZ-REPLKXPHSA-N 447.417 5.002 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(OCCC)cc3)CC2)C1 1804865118 CHOWBWMXMWLESO-UHFFFAOYSA-N 440.628 5.313 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cc3cccc4ncccc34)C2)CC1 1805978862 RWOLOBWODCHSKD-UHFFFAOYSA-N 447.623 5.001 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(C)cccc3[nH]2)n[nH]1 1819053071 XXCWZQQRZAYVLX-QHCPKHFHSA-N 445.567 5.274 30 20 IKED CC(C)=CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819386993 SRCZLYFEIPUZMP-OAQYLSRUSA-N 442.680 5.199 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3sccn3c2)[nH]n1 1819554270 PGIPNKDUCYEEGR-GOSISDBHSA-N 439.585 5.022 30 20 IKED CC1(C)CCC(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)CC1 1820485770 DONYBHRSKBQZHC-JOCHJYFZSA-N 447.583 5.194 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccccc2Cl)CC1 1826470625 FZTNHWUDMNHNTF-XMMPIXPASA-N 443.031 5.271 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(F)cc2)CC1 1828831670 XILFYZCNRRUSDC-DQEYMECFSA-N 440.603 5.146 30 20 IKED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCCC(C)(C)C)CC1 1831577243 FXVJCOQFUWXTEI-DHIUTWEWSA-N 448.692 5.176 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 1832023622 XUOOYCVKXZFHQI-QEGGNFSNSA-N 434.624 5.178 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1sc3ccccc3c1Cl)C2 1844356223 DTLNMYWPFNWMTA-UHFFFAOYSA-N 431.001 5.364 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1 9449033 DINPVJLMZOYRLR-AWEZNQCLSA-N 432.471 5.269 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccc(N(C)C)cc2)cc1 10173608 AWJLVLAMALSEAU-UHFFFAOYSA-O 438.642 5.332 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2C)nnc1-c1cccc(C)c1 16862971 JKWGTQLXCRRBAS-MRXNPFEDSA-N 426.973 5.521 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(C)c([N+](=O)[O-])c2)[n+]2ccc(CC)cc2)cc1 22731040 YOILZPAXZKAONO-UHFFFAOYSA-O 448.568 5.366 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F 32786582 RNPYFEDWRKTTAD-HNNXBMFYSA-N 446.498 5.193 30 20 IKED CC(=O)N(c1nc(CSc2nc3c(c(C)c2C#N)CCC3)cs1)c1ccc(C)cc1C 60716265 JRISKVVYTDWEFO-UHFFFAOYSA-N 448.617 5.801 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(-c3nccs3)c2)cc1 64299411 XDIYPAYAZJZZBU-UHFFFAOYSA-N 427.554 6.226 30 20 IKED COc1ccc(CNCC2(c3cccc(Br)c3)CCC2)cc1OCCCC#N 64614247 UNYOPRLDNYXBPQ-UHFFFAOYSA-N 443.385 5.352 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2c(C)nc(SC)nc2C)cc1 116553043 SMCOAZYGIQMIIK-UHFFFAOYSA-N 448.548 5.059 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)cc1Cl 195622716 LTJBYEXRPPNTHY-UPVQGACJSA-N 443.934 5.239 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1 303278200 LMTUHSVFIFAGEM-UHFFFAOYSA-N 444.466 5.047 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C1CC1 303288943 AKXOCFYZIVFCMY-MRXNPFEDSA-N 447.526 5.703 30 20 IKED C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 428788266 MCRXKRSECISXSD-CZUORRHYSA-N 429.307 5.129 30 20 IKED CCN(C(=O)c1cccc(SCC#N)c1)[C@H](c1cccnc1)c1csc2ccccc12 430948401 IWHSRDLESNHTRH-XMMPIXPASA-N 443.597 6.164 30 20 IKED Cc1ccc(C2(CNC(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)CCC2)cc1C 433836290 NMRKOIAJYYBIAX-UHFFFAOYSA-N 444.579 5.130 30 20 IKED C[C@@H]1CN(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c2ccccc21 434417448 VBUKCFNNYRLJRZ-IERDGZPVSA-N 429.907 5.084 30 20 IKED C=CCSc1ccccc1NC(=O)CN(Cc1cccc(C)n1)Cc1cccc(C)n1 435197294 QVZJJCMEDYPQKG-UHFFFAOYSA-N 432.593 5.012 30 20 IKED N#Cc1cc(NC(=O)N(CCc2ccccn2)Cc2ccncc2)ccc1Oc1ccccc1 436371092 SDZKMPWOSAFZGE-UHFFFAOYSA-N 449.514 5.417 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)NCCc3c[nH]c4ccc(Cl)cc34)s2)cc1 437533241 FFFBUMGANAITFW-UHFFFAOYSA-N 435.940 5.104 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C1CC1)[C@@H](C)c1ccc2ccccc2c1 438079253 XGUHLFWNGDKYHB-OALUTQOASA-N 429.589 6.849 30 20 IKED COc1ccc([C@H]2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)C2)cc1 438659339 FFJIOOPSLLXASK-IBGZPJMESA-N 431.467 5.520 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)c2nc(Cc3ccccc3)no2)cc1 439570158 LMMGBPKZNLFFSH-QGZVFWFLSA-N 426.476 5.506 30 20 IKED CC(C)c1ncc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cn1 440926118 GEWFDUIYWJOXHK-OAQYLSRUSA-N 433.943 5.573 30 20 IKED COc1cc(CSc2ccc(C(C)=O)cc2OC)ccc1OCc1cccc(C#N)c1 441963178 SLGACZKFRPYPIG-UHFFFAOYSA-N 433.529 5.649 30 20 IKED CC(C)(C)Cc1nc(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cc2)no1 442872890 OCSWDUAUAQBOOP-SFHVURJKSA-N 443.532 5.334 30 20 IKED CCn1c(CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)nc2c(F)cccc21 444746721 YZTPTZGEHVNTBK-OAHLLOKOSA-N 433.371 5.997 30 20 IKED CCN(C(=O)NC1CCC(Oc2ncccc2C#N)CC1)[C@@H](C)c1cc2ccccc2o1 446630433 FUTQVCFFINPLKQ-RPCJCACASA-N 432.524 5.182 30 20 IKED CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)C1 460157277 RQLANINIAUYAIS-WIYYLYMNSA-N 437.971 5.030 30 20 IKED CC(C)CC(=O)Nc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1F 460177995 VAVANNOUYLFLNP-UHFFFAOYSA-N 445.494 5.513 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)CN2C(=O)CCCc3ccccc32)c1 460339935 QRQJSUPXTGEIJD-UHFFFAOYSA-N 443.934 5.114 30 20 IKED C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 463757811 WRICUQBPGOXTOQ-PMERELPUSA-N 427.566 5.094 30 20 IKED COc1cccc(/C=C(\CC(=O)N[C@@](C)(C#N)C(C)(C)C)c2nc3ccccc3s2)c1 464162393 APDMMBNRHWZQOV-WVZPCHHUSA-N 433.577 5.680 30 20 IKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 464416389 IEYCQCZWUSKKCO-HNNXBMFYSA-N 447.413 5.352 30 20 IKED COc1cc(Cl)c(C)cc1-n1c(SCCCSCC#N)nc2ccccc2c1=O 466612110 XNGCJPXWZKQABZ-UHFFFAOYSA-N 445.997 5.095 30 20 IKED Cc1cc(N(CCC#N)C(=O)CNc2ccccc2SC[C@@H](C)C#N)ccc1Cl 470520809 BRDNEGWZIYKTDL-INIZCTEOSA-N 426.973 5.259 30 20 IKED CCSc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470775827 AFAOYCUCUIOWIP-UHFFFAOYSA-N 427.957 5.287 30 20 IKED O=C(CCC(=O)c1cccc(F)c1)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 474257221 CIORMLVBKZIRHN-INIZCTEOSA-N 435.339 5.617 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 476125807 ANWZHKAFHJBCQL-QGZVFWFLSA-N 441.369 5.293 30 20 IKED CCOc1ccc([C@H](C)NC(=O)CNc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC 476386503 FPJNZUJYLHTWHZ-SFHVURJKSA-N 445.519 5.047 30 20 IKED N#CC[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1Br)c1ccccc1 476482159 IFCFMTGODCNMBP-ZDUSSCGKSA-N 427.220 5.374 30 20 IKED CC[C@H](C)n1ncc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1C1CC1 477536279 KRTUNCFZRPVJEL-KRWDZBQOSA-N 430.577 6.148 30 20 IKED CN(C)C(=O)Nc1ccc(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 478583048 RWTSJVVNOASEAK-UHFFFAOYSA-N 448.910 5.027 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 479166865 OSYMUKFOGOXJFH-UHFFFAOYSA-N 429.973 5.361 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 479368228 QKFCONJPTMUJLY-UHFFFAOYSA-N 437.499 5.292 30 20 IKED C=C(C)Cn1c(SCC(=O)N(C)[C@@H](C)c2cccc(Cl)c2)nnc1-c1ccco1 480105191 BWXMIWYSQIYJRY-HNNXBMFYSA-N 430.961 5.079 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cnn(-c2cccc(F)c2)c1CCC 480378189 SKORJZYVFVZZEL-UHFFFAOYSA-N 438.551 5.352 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(Cl)ccc1OC(F)F 482119223 GDJLNNLASITKAL-UHFFFAOYSA-N 429.810 5.561 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)N[C@@H](c3ccc(Cl)cc3)C(F)(F)F)CC2)c1 482359692 DGERAUACQFXVHW-IBGZPJMESA-N 437.849 5.068 30 20 IKED COc1ccc(-c2cc(C(=O)[C@H](C#N)c3cnc4ccccc4n3)c3ccccc3n2)cc1 483208666 ZCMQBDZFQVWDNY-OAQYLSRUSA-N 430.467 5.344 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1cccs1 489402290 FQBGLZXEKNOQTG-INIZCTEOSA-N 426.611 5.744 30 20 IKED C[C@@H](NCc1cc(C#N)ccc1Br)c1cccc(NC(=O)c2ccccc2)c1 492608593 QJQFXTDVOKSFNI-MRXNPFEDSA-N 434.337 5.424 30 20 IKED C[C@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1cc(F)c(Cl)cc1Cl 492849389 BNNXTKXXWDMJRU-VHSXEESVSA-N 426.344 5.232 30 20 IKED CCN(C(=O)[C@H](C)Oc1ccccc1C#N)[C@H](c1ccc(C(C)C)cc1)c1cccnc1 496501248 YYYJSJCIJUXVCX-RXFWQSSRSA-N 427.548 5.482 30 20 IKED N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 497514003 BIERYYDKGNIEBC-QGZVFWFLSA-N 433.817 5.078 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 502622421 NCSTVBQWVICYKR-UHFFFAOYSA-N 440.503 5.658 30 20 IKED Cc1cc(C(=O)Nc2cccc(Cl)c2Oc2cccnc2)nn1-c1cccc(C#N)c1 504090760 BIKSMVRXUHTBBH-UHFFFAOYSA-N 429.867 5.145 30 20 IKED Cc1nc(NC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)sc1SCC#N 504803229 XNYVLOMVJHZXBX-UHFFFAOYSA-N 441.390 5.750 30 20 IKED C=CCN(C(=O)COCc1cc(C)no1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 509119394 AFAHKEHQKDXPCT-UHFFFAOYSA-N 438.336 5.149 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)o1 509263076 KDRIVNJYARNIBS-GOSISDBHSA-N 432.373 5.293 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H]3Cc3ccccc3)c2)cc1 509857057 WUBZZJSCSOCSIQ-VWLOTQADSA-N 425.532 5.571 30 20 IKED CN(C)[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccs1 510011035 SOHGFQWBFSWCKI-PZJWPPBQSA-N 438.984 5.481 30 20 IKED CC[C@@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1cccc(Cl)c1 510251922 FXAHUCHCXZMHCR-QGZVFWFLSA-N 443.985 5.628 30 20 IKED Cc1noc(C2(C)CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)n1 512890870 ROVHHEXBYSUGFI-HXUWFJFHSA-N 449.942 5.273 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3ccc(COCc4ccccc4)cc3)CC2)c(F)c1 513478491 DSHVVJCMPGZYMP-UHFFFAOYSA-N 443.522 5.269 30 20 IKED Cn1c([C@H](C#N)C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)nc2ccccc21 513672210 PNVBEEJIRIHINZ-QGZVFWFLSA-N 446.850 5.417 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(OC3CCC(C)CC3)CC2)cc1C 517460808 XCDDLGDTNOHXCF-UHFFFAOYSA-N 448.611 5.281 30 20 IKED C=CCOc1c(Br)cc(CNCc2ccccc2C(F)(F)F)cc1OC 517553001 LLIVKNNTCPIIAG-UHFFFAOYSA-N 430.264 5.331 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-n4ccnc4SC)cc3)n2)cc1 518515517 WXZQBJXPMFUZLY-IBGZPJMESA-N 446.557 5.216 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)c1ccc(C(F)(F)F)cn1 518586099 FNNVJLDVUPJRIS-CQSZACIVSA-N 438.377 5.920 30 20 IKED Cn1ccnc1SCc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)o1 519510297 HDTROWALMLSARW-UHFFFAOYSA-N 430.489 5.222 30 20 IKED COc1ccc(-c2nc3c(s2)[C@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)CCC3)cc1 520264428 KPUSNOQZIOPTNV-YCRPNKLZSA-N 432.549 5.128 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(CN2CCC[C@H](C)C2)cc1 521261245 OOMOKAHUVNXQKI-PMACEKPBSA-N 436.625 5.492 30 20 IKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(F)cc1 521810327 MGEUFFGSANBOAE-QHCPKHFHSA-N 441.466 5.134 30 20 IKED Cc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1NC(=O)C(C)(C)C 521972777 KLNBGGVIALRGRC-UHFFFAOYSA-N 428.492 5.291 30 20 IKED N#Cc1ccc(CNC(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1 524061829 DAYXQDZLKRPHAC-UHFFFAOYSA-N 439.302 5.439 30 20 IKED CC(C)(C#N)CCCNc1ccccc1NC(=O)c1ccccc1I 531650053 VRORIMUZIZQXSN-UHFFFAOYSA-N 447.320 5.285 30 20 IKED CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1 537554151 SWFAWVSIXXUFPN-UHFFFAOYSA-N 448.544 5.316 30 20 IKED C=CCN(C(=O)[C@@H]1CCCc2nn(C)cc21)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 539505420 ZUFZSLZZVCOPBS-CQSZACIVSA-N 447.391 5.490 30 20 IKED O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1cc(F)c(F)cc1Cl 539893052 NBCAUTLABFOGPO-UHFFFAOYSA-N 425.691 5.401 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1cccc(F)c1F)C(F)(F)F 543189226 NYHXGYDEAILYPB-CWTRNNRKSA-N 443.441 5.048 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NCc1ccc(CC#N)cc1 544470366 BSPFRDQWZULVSW-CQSZACIVSA-N 426.383 5.798 30 20 IKED N#CCCn1cc(/C=C\c2nc(-c3ccc(OC4CCOCC4)cc3)no2)c2ccccc21 545790898 UVCLZEOSDRLVMC-FLIBITNWSA-N 440.503 5.333 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 555250862 ULDVMKUPQFXLMY-UHFFFAOYSA-N 442.562 5.164 30 20 IKED C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccccc1C(F)(F)F 557813120 QXRMSQULEUYJEG-AWEZNQCLSA-N 435.421 5.030 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@@H](c3cccc(OC(F)(F)F)c3)C3CC3)ccc21 560551852 GTWZVRLUIBTXDL-HSZRJFAPSA-N 443.469 5.731 30 20 IKED C=CCOc1ccccc1-c1nc(CC(=O)Nc2nc(-c3cc(C)ccc3C)cs2)no1 561912760 IDIJHEIZEWBGLL-UHFFFAOYSA-N 446.532 5.223 30 20 IKED N#Cc1ccccc1COc1cccc(CN(CCc2ccccn2)Cc2ccncc2)c1 568564694 HRCIDLZHBRKPSZ-UHFFFAOYSA-N 434.543 5.172 30 20 IKED C=CCn1c(S[C@H](C)c2ccc(C(=O)OC)o2)nnc1-c1ccc(Br)cc1 603562677 GAFXETTYFURTNT-GFCCVEGCSA-N 448.342 5.127 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(CCc1ccc(F)cc1)C1CC1 604914281 ABQHUQKRVOBJIO-ZIAGYGMSSA-N 440.403 5.452 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 608869157 OSNSNGRXWBYCSY-UHFFFAOYSA-N 447.882 5.116 30 20 IKED CC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccc(OC)cc1 609079009 WTWGMXPJVQRFHW-DEOSSOPVSA-N 429.520 5.727 30 20 IKED CCN(C(=O)NCc1ccc(C#N)cc1F)[C@@H]1CCSc2ccc(Br)cc21 609254565 SGZXETVUXPZJPJ-GOSISDBHSA-N 448.361 5.228 30 20 IKED CCN(C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H](C)c1cccc(C(F)(F)F)c1 609401939 LSPLOLQQGZOIEN-CVEARBPZSA-N 435.515 6.572 30 20 IKED C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 609422014 BJGMYBAMZVUWOI-OAQYLSRUSA-N 439.559 6.164 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(CN4CCCCCC4)CC3)cc2)c1 609433790 JGBNYZGVSLHELD-UHFFFAOYSA-N 432.568 5.470 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccc(F)cc3)C3CCC3)cc2)c1 609439988 YVTXIHSRZOXXLP-XMMPIXPASA-N 443.478 5.086 30 20 IKED COc1cc(C[S@@](=O)Cc2ccc3c(c2)CCC3)ccc1OCc1cccc(C#N)c1 609743049 QDDARTRLIZIVGM-HKBQPEDESA-N 431.557 5.083 30 20 IKED CCc1ccc(CN2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)s1 610019605 WYVODOCTLFBKJD-KRWDZBQOSA-N 428.627 5.054 30 20 IKED COc1ccc([C@@H](Cc2ccccc2C)NC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1OC 610355495 SFYBQMSQIOGOPP-YADARESESA-N 443.547 5.228 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1 610630678 CTAOFSPLEOHQKR-HOTGVXAUSA-N 443.347 5.555 30 20 IKED COc1cccc2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)oc12 613346354 HHKOGCOSOFWHBX-AWEZNQCLSA-N 443.311 6.362 30 20 IKED N#C[C@@H](C(=O)c1ccc(-n2cc(Br)cn2)cc1)c1nc(-c2ccccc2)cs1 613392450 QWCYKKGLRNAZNX-SFHVURJKSA-N 449.333 5.248 30 20 IKED CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 672448333 LESYQMQFDGJMOI-UHFFFAOYSA-N 425.444 5.184 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1 672657975 DXFYCFOJUPODJF-UHFFFAOYSA-N 430.421 5.728 30 20 IKED C=C(CNC(=O)Nc1ccc(Oc2ccccc2S(=O)(=O)CC)cc1)c1ccccc1 672688771 QSHDKZVFQGIZCK-UHFFFAOYSA-N 436.533 5.107 30 20 IKED O=C(N1CC2(C1)CC(F)(F)C2)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 677926768 ILQGJYVZXMGGAA-CPLVZERVSA-N 445.394 5.366 30 20 IKED C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 727220977 ZLURSLAQESOYCC-AWEZNQCLSA-N 445.302 5.055 30 20 IKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 728004774 FVTYRCJKKHQADK-SANMLTNESA-N 437.499 5.040 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1ccccc1C#N 728062845 WEDYFIYCXIKGRO-INIZCTEOSA-N 430.895 5.101 30 20 IKED N#C[C@H](C(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)NC1CCCC1 728147490 HFCDZQCFWMMJRF-HSZRJFAPSA-N 447.966 5.043 30 20 IKED COc1ccc2oc(C(=O)/C=C\c3cc4ccccc4nc3N3CCOCC3)c(C)c2c1 729152011 ZLIHNYIFHMTUPR-CLFYSBASSA-N 428.488 5.031 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1=S 731026574 BEVCNBAGZKPNQM-JOCHJYFZSA-N 430.581 5.328 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F 731399447 CITDTEUZGPSFSR-DNVCBOLYSA-N 433.499 6.469 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(CC2CC2)C(=O)N[C@H]1c1cnc(C(C)(C)C)s1 731429637 HIZGDDDEARLKKC-IBGZPJMESA-N 427.545 5.056 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nc2ccc(Cl)cc2[nH]1 732544749 HUTYVTVCRXMSGI-OAHLLOKOSA-N 430.895 5.566 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)NCCc1cccs1 732919702 RHRKGYNASNMWCD-INIZCTEOSA-N 439.968 5.011 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(CC)[C@@H](C)c2cccc(C(F)(F)F)c2)c1 733804807 MRNLPYWDFKIOAQ-JXFKEZNVSA-N 433.474 5.679 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cccc(COc2ccccc2C#N)c1 734228780 YGKHOOSDKFMGGO-QFIPXVFZSA-N 433.467 5.132 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2cccnc2N2CCCCC2)c1 735039927 UVWHLAZJAXFIME-UHFFFAOYSA-N 446.938 5.319 30 20 IKED N#CCOc1ccc(Cl)cc1COC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 735334145 NRQSMUYIWAMCKQ-RCRDTURJSA-N 438.749 5.019 30 20 IKED N#C[C@H](C(=O)C[C@H]1CCOc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 735592581 BFNXICGESVTXKR-CXAGYDPISA-N 443.355 6.250 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)C(=O)Nc3cccc(-c4cccs4)c3)c2)s1 740508312 UCVBEXUSVFCVKG-UHFFFAOYSA-N 443.553 5.270 30 20 IKED O=C(/C=C\c1ccc(OCc2occc2C(=O)O)cc1)c1cccc(-c2ccncc2)c1 741473485 QOABDEJICHXKMF-TWGQIWQCSA-N 425.440 5.515 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1NC(=O)OC(C)(C)C 744034956 HAVGFQWWCCUZOK-HNNXBMFYSA-N 441.940 6.095 30 20 IKED COc1cccc(/C=C/C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)c1OC(C)C 749005500 KTKLWSUFUXMSDI-DTQAZKPQSA-N 428.550 5.095 30 20 IKED Cc1sc2nc(CCC(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)nc(O)c2c1C 750399023 YNFOFMJHLTUIEQ-LBPRGKRZSA-N 442.953 5.086 30 20 IKED Cc1c(-c2ccccc2)oc2c(C(=O)N(C)c3cc(Cl)ccc3C#N)cccc2c1=O 751894661 VBFRAQIFMCDWAN-UHFFFAOYSA-N 428.875 5.570 30 20 IKED CCN(CC)c1ccc2cc(C(=O)/C=C/c3cnc(-c4ccncc4)s3)c(=O)oc2c1 753143706 YCAONRMTZKOLBM-BQYQJAHWSA-N 431.517 5.054 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN(C)c2ccc(Br)cc2F)c1=S 754747980 WVCFKGDRCYEYAV-UHFFFAOYSA-N 448.365 5.048 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC[C@H](O)c1ccc(C#N)cc1 754865966 JFYAJSCVEWRCEA-YJYMSZOUSA-N 442.382 5.137 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(C)Cc2cccc(OC(C)C)c2)c1=S 755768882 JMKBTPKLLFQUEW-UHFFFAOYSA-N 438.597 5.152 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)/C=C(/c3ccc(Cl)cc3)C(F)(F)F)CC2)c1 762201125 ROLPDCURJJMOSW-MOSHPQCFSA-N 434.845 5.227 30 20 IKED COc1cc(-c2cc(C(=O)OCC(C)(C)CC#N)c3ccccc3n2)cc(OC)c1OC 764844610 QIYBBMLYNZQDMW-UHFFFAOYSA-N 434.492 5.024 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CCS[C@H](C)[C@H]2c2ccccc2)c1=S 765011742 KHHPPBXWROZTFH-NQIIRXRSSA-N 437.638 5.188 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 767879894 YRDKATZTDQFCCG-FUHWJXTLSA-N 447.526 5.528 30 20 IKED CCN(c1ccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1)C(C)C 770097210 NNOQIFOQZMEALG-SFHVURJKSA-N 434.565 5.000 30 20 IKED N#C[C@@H](COC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)Cc1cccs1 772734305 GLJXPXWNZAQOJB-ZDUSSCGKSA-N 436.480 5.359 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H](Cc2cccc(F)c2)c2cccc(F)c2)ccc1OC 772983798 APSXRDBPSOUYRN-BJKOFHAPSA-N 436.502 5.728 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3C[C@H](O)c3ccc(F)cc3)cn2)cc1 773263016 OLGUNAQATRUQDY-GGAORHGYSA-N 446.482 5.005 30 20 IKED C[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1cn(C)c2ccccc12 773980324 RIUBXGPDKPPDIP-RXVVDRJESA-N 437.499 5.422 30 20 IKED Cn1cc([C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2ccc(F)cc2)cn1 775489665 WYBSMLYALSTIFX-DQEYMECFSA-N 439.494 5.126 30 20 IKED CC(C)[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1ccc(C(F)(F)F)cc1 775537666 CEDRVRXNFLPAAJ-AVRDEDQJSA-N 438.453 5.229 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@](O)(c3ccc(F)cc3)C2)cc1Cl 777567276 HMZGBVLMTMGFPW-RCZVLFRGSA-N 449.913 5.260 30 20 IKED N#CC1(c2ccc(COC(=O)c3coc(-c4ccc(Br)cc4F)n3)cc2)CC1 779256128 KEHDXKHXYKPQJN-UHFFFAOYSA-N 441.256 5.155 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 781449305 ZGXZDHCYXZCUSX-OPAMFIHVSA-N 437.499 5.156 30 20 IKED COC(=O)Nc1cc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1F 782568149 ROCAXLHBDQPCPJ-HNNXBMFYSA-N 432.455 5.425 30 20 IKED COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nc1Br 782580823 HYULACZPBLBQIZ-GFCCVEGCSA-N 448.729 5.120 30 20 IKED N#CCc1ccc(COC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 786972769 FIOWFFPYEVDKHU-UHFFFAOYSA-N 430.291 5.176 30 20 IKED COc1ccc(/C=C(/C)C(=O)[C@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1F 787048445 GTIYUMVSCSOPTR-KWDXZQLTSA-N 449.309 5.131 30 20 IKED Cc1nc(CC(C)C)sc1C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 787050080 OHKMDUGZDICSOJ-XHDPSFHLSA-N 438.380 5.157 30 20 IKED N#CCCn1cc(CNc2ccc(N3CCc4sccc4C3)cc2)c(-c2ccncc2)n1 788522574 CISCZINMTRXWPU-UHFFFAOYSA-N 440.576 5.095 30 20 IKED CO[C@H]1CCOc2c(N=Cc3cc(Br)cc(Br)c3O)cccc21 790598148 JINCEEATDYSEPF-HNNXBMFYSA-N 441.119 5.138 30 20 IKED CC1(CCN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccsc2)CC1 794447157 HJFVLEDQKOLREA-KRWDZBQOSA-N 431.558 5.038 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)CSCc2ccc(Br)cc2F)s1 797567111 YSLQDWDRFYMFEC-ZDUSSCGKSA-N 441.391 5.452 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1c(Br)sc(C)c1C 799602429 QNWDHUZZFDWKCC-OAHLLOKOSA-N 433.371 5.213 30 20 IKED N#CC1(CCCOC(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)CCOCC1 800217285 BZPSDOGPHZABJU-OAQYLSRUSA-N 447.959 5.956 30 20 IKED C[C@@H](OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)C(=O)Nc1ccccc1Oc1ccccc1 803924511 QQCDTJWABMTZQD-QGZVFWFLSA-N 444.462 5.092 30 20 IKED O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc(-n2ccnn2)c1 806575611 HXNBTOOKUXSQBA-QXMHVHEDSA-N 428.879 5.069 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 808829827 GPBSBOBLDLRIFJ-PUZWTLIVSA-N 431.561 5.535 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc2c(c1)CCCCC2=O 810529167 AMFLYAQACRDFPS-QFIPXVFZSA-N 438.483 5.349 30 20 IKED CCN(c1ccc(NC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1)C(C)C 812455117 XBLYOQRQRQDEKW-KRWDZBQOSA-N 440.519 5.569 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1cccc(Br)c1 813065013 UEAKVQVJRXOGMB-FZMZJTMJSA-N 447.304 5.831 30 20 IKED COc1cc(CCC(=O)N(O)Cc2cccc3ccccc23)ccc1OCC(F)(F)F 901369870 IWOUBHUWJKNPID-UHFFFAOYSA-N 433.426 5.140 30 20 IKED Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)s1 915085887 PJXDPMYEGKLPSR-QHCPKHFHSA-N 444.556 5.663 30 20 IKED C[C@H](Oc1ccc(Cl)cc1Br)C(=O)[C@@H](C#N)c1nc2ccccc2s1 915098163 JFUJTMLIVGIFEH-CMPLNLGQSA-N 435.730 5.356 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=S)Nc3ccc(Cl)c(Cl)c3)c2)cc1 916025517 AWXFANUCNPOERU-UHFFFAOYSA-N 442.371 6.447 30 20 IKED CC(=NNc1ncnc2sc(C)c(C)c12)c1ccc(OCC(=O)Nc2ccccc2)cc1 916307818 RYXNUNNOEVHACR-UHFFFAOYSA-N 445.548 5.162 30 20 IKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCCC(C)C 916906291 PNRSZGNLFTUTRC-OAHLLOKOSA-N 449.334 5.388 30 20 IKED N#Cc1ccc(COC(=O)c2cccnc2Oc2ccc(F)cc2Br)c(F)c1 917300404 IXVJZSKEHZBBNH-UHFFFAOYSA-N 445.219 5.143 30 20 IKED COc1ccc(-c2nc(S[C@@H](C)c3ccc(Cl)cc3Cl)nc(O)c2C#N)cc1 917569612 UTGCAHBPNFOVTL-NSHDSACASA-N 432.332 5.890 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccsc3)C2=O)c1 917675565 OOMXZFQIAAMREP-NRFANRHFSA-N 449.601 5.525 30 20 IKED Cc1cc(-c2noc(CCC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)n2)ccc1F 918492997 YPNGFUXDJWAVMX-KRWDZBQOSA-N 432.480 5.117 30 20 IKED Cc1ccccc1C1(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)CCOCC1 920804976 BZVAWEQHQIXTOY-INIZCTEOSA-N 438.499 5.321 30 20 IKED C[C@H](CC#N)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCOC1CCCCCC1 1706746568 BZBZUGNEPRRXRI-GOSISDBHSA-N 429.996 5.000 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)COC4)CCC2)cc1 1786103543 MIAJXFFXBOQBDQ-UHFFFAOYSA-N 430.548 5.233 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCc3c(C)noc3C)cc2)CCC1 1786911050 AGBSLAOWQYWPMA-QFIPXVFZSA-N 435.568 5.127 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CNc4ccccc43)CCC2)cc1 1789451545 LHYXVJKUSJYJEK-GMAHTHKFSA-N 429.564 5.098 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Nc3nccs3)CCC2)cc1 1789626488 YOPQQEMDINOLDK-QGZVFWFLSA-N 440.613 5.070 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)C[C@H](C)Oc3ccccc3)CCC2)cc1)C(F)(F)F 1791305128 AGWAIOCDRJJUHN-INIZCTEOSA-N 446.469 5.097 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C4CCSCC4)CCC3)cc2)c1 1792124350 VDYSZXPWIMNDKC-GOSISDBHSA-N 447.604 5.205 30 20 IKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)cc3C(F)(F)F)cc2)CCC1 1792170831 RNRABONREUJYNI-UHFFFAOYSA-N 447.432 5.142 30 20 IKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)CCc4cc(Cl)ccc4Cl)CC3)C2)C1 1804785480 GQDZQENNKGCBGX-UHFFFAOYSA-N 449.422 5.123 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2Cl)[C@@H]1c1cccnc1 1810501521 AZIUJJURBSMWKI-SIKLNZKXSA-N 439.987 5.047 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)CCCCC)[C@@H]1c1cccnc1 1810502319 HBTHUZUYLQTJOF-ACIOBRDBSA-N 427.633 5.296 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(C)cccc2C)[C@H]1c1cccnc1 1810504036 VIQYJOZTEARAHD-VWNXMTODSA-N 433.596 5.010 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccccc2)[nH]n1 1819556659 JRSBUKVAFZFKIO-TUNNFDKTSA-N 434.584 5.198 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ncccc23)CC1 1823752279 ONHFKBFVFBVIJX-RUZDIDTESA-N 447.623 5.461 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccccc3n2C)CC1 1827995285 ROUVWMGAKADYLQ-UKILVPOCSA-N 447.623 5.180 30 20 IKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cc3ccc(F)cc3)cc2)CC1 1831859325 NSWCBJXBBAQLHE-SANMLTNESA-N 448.582 5.226 30 20 IKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2cccc(O)c2)c1 10172470 AOHSEXHYJOGFNR-UHFFFAOYSA-O 446.379 5.654 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2cccc(Br)c2)cc1 11084584 UMSPIHUOTGSOFP-UHFFFAOYSA-O 440.386 5.350 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1sc2cc(Cl)ccc2c1Cl 11397304 MNGGNVRRQGRQOL-UHFFFAOYSA-N 439.707 5.529 30 20 IKED C=CCn1c(SCc2nnc(-c3ccc(OC)cc3)o2)nnc1-c1ccc(Cl)cc1 18324630 XILYPGSICIGIBB-UHFFFAOYSA-N 439.928 5.135 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2ccc(C(F)(F)F)cn2)n(Cc2ccccc2)c1C 21739411 LRQPSBHDZFBXHA-UHFFFAOYSA-N 444.482 5.170 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(OCC)cc2)=C(/S)Nc2ccc(C)c(C)c2)cc1 22695506 UQNQOBWJZQYMGN-UHFFFAOYSA-O 447.624 5.993 30 20 IKED N#CCCN(C(=O)CSc1ncnc2scc(-c3ccccc3)c12)c1ccc(F)cc1 23561330 ZQGUMHSUXIZSQB-UHFFFAOYSA-N 448.548 5.536 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2)c1 32289463 GAEPQMCCCTZFRX-UHFFFAOYSA-N 429.457 5.512 30 20 IKED COc1cc(/C=C(/C(=O)C(=O)O)c2ccc3ccccc3n2)ccc1OCc1ccccc1 33696355 VAGTUOOZPXMFLN-RCCKNPSSSA-N 439.467 5.017 30 20 IKED C=CCOc1cccc(NC(=O)c2oc3ccccc3c2CSc2nnc(C)s2)c1 60301327 ANZFWDCJVQADOU-UHFFFAOYSA-N 437.546 5.702 30 20 IKED CC(C)(C)c1ccc(OCc2ccc(C(=O)N(CCC#N)Cc3cccnc3)cc2)cc1 60625095 HLSNIQGOFBEYDA-UHFFFAOYSA-N 427.548 5.514 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CCN(C)C)Cc1cccc(F)c1 62410813 RMVDVDILRBVFCB-UHFFFAOYSA-N 446.526 5.394 30 20 IKED Cc1ccc([C@H](NC(=O)CSc2nc3c(cc2C#N)CCCC3)c2cccs2)cc1 303002146 YNNRDXVIUOZWEG-QHCPKHFHSA-N 433.602 5.200 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Cl)cc1Nc1ccc(F)cc1 426384862 ILTSZBGOESAHBC-UHFFFAOYSA-N 439.922 5.521 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(C)CCN(Cc2ccccc2)CC1 428203526 YDDZTVZWABVOOY-UHFFFAOYSA-N 440.547 5.295 30 20 IKED Cc1ccc(C(=O)Nc2cccc(CNC(=O)N[C@H](CCC#N)c3ccccc3)c2)cc1 429073290 BIWNOSKENQTDGH-XMMPIXPASA-N 426.520 5.092 30 20 IKED Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3ccc(-c4ccc(Br)cc4)s3)nc12 429584770 GPBXPCVKNDBRJA-CQSZACIVSA-N 437.322 5.247 30 20 IKED Cc1c(C(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)sc2ccc(C#N)cc12 429846323 AFJILUGSPVMPFI-QGZVFWFLSA-N 427.529 5.546 30 20 IKED N#Cc1ccc(NC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1C(F)(F)F 435591693 DDRRBQRDGAELRF-NSHDSACASA-N 448.392 5.464 30 20 IKED Cc1ccc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1NC(=O)Nc1ccccc1 436337745 BYCVDNOGAXOFSA-ILBGXUMGSA-N 438.531 5.551 30 20 IKED C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CCN1Cc1ccccc1 437491614 ARDDYLYPHMZOPI-JOCHJYFZSA-N 439.559 5.282 30 20 IKED COc1ccccc1O[C@@H](C)CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438674799 YKAQKTLRXHJDAE-INIZCTEOSA-N 435.455 5.087 30 20 IKED CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)c1ccc(Sc2ccccc2C#N)cc1 438940777 CQXJSPATMWPLNC-UHFFFAOYSA-N 441.556 5.569 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)N[C@H](CCC#N)c2ccccc2)c1C 439382454 FALGBUSGDOSRNS-HXUWFJFHSA-N 442.350 5.963 30 20 IKED Cc1ccc(C)c([C@@H]2CN(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)[C@H](C)CO2)c1 444206257 PWZQVJCEZKDSTB-QTEQDKRBSA-N 437.609 5.098 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)Nc3ccc(CC#N)cc3)C2)n1 446110752 BFAUALRWSIZNBF-GOSISDBHSA-N 432.549 5.296 30 20 IKED N#Cc1ccc(NC(=O)C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cc1C(F)(F)F 446543595 CRSAWKHFSZRSHX-UHFFFAOYSA-N 447.432 5.016 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1Cc2ccccc2C[C@H]1c1ccccc1 448356635 UUDLVHXECGWFMW-DVECYGJZSA-N 427.573 6.412 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1Cl 448379096 XYALPYMFNQCVRE-NIDLKEISSA-N 448.998 5.476 30 20 IKED CCCNc1ccc(C#N)cc1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C 461676895 SJHVCAPNXWKVIR-UHFFFAOYSA-N 427.430 5.145 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)N[C@H](c3c(Cl)cccc3Cl)C3CC3)CCO2)c1 462039636 JEPONVGUBIFFTE-FPOVZHCZSA-N 430.335 5.099 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 467537622 YWSQNRQABJEFIT-OAHLLOKOSA-N 442.587 5.227 30 20 IKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N 468114477 YLQZTJBXXHJURX-LBNVMWSVSA-N 439.559 5.207 30 20 IKED C=C[C@H](CC(=O)N(Cc1cccc(Br)c1)C1CCOCC1)c1ccccc1 468153668 AWJKWJYYMUZADO-LJQANCHMSA-N 428.370 5.317 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@@H]3CCC[C@H]3Cc3ccccc3[N+](=O)[O-])ccc21 469362393 YQKYOTCTEFORQH-PGRDOPGGSA-N 432.524 5.001 30 20 IKED C[C@H](O)C[C@@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1 469507839 CPOHLRAJQXKWPW-RDPSFJRHSA-N 443.547 5.008 30 20 IKED N#CCCSc1ccccc1NC(=O)Cc1csc2ccc(Br)cc12 470896498 GHHOEMPIVYCKIW-UHFFFAOYSA-N 431.380 5.851 30 20 IKED Cc1csc(Sc2ccc(NC(=O)[C@H]3CCCN(c4nc(C)ccc4C#N)C3)cc2)n1 471342822 ZDRHIFCOXMMSHO-SFHVURJKSA-N 449.605 5.033 30 20 IKED COc1ccc(C[C@@H](NC(=O)C[C@@H](CC#N)c2ccccc2)c2ccccc2)cc1OC 475583037 DQRWZKWBPCSVCF-DNQXCXABSA-N 428.532 5.191 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O 476081932 AUMJRBVQDVWDHO-FQEVSTJZSA-N 439.943 5.036 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3C[C@H](c4ccccc4)[C@H]4CCC[C@H]43)ccc21 482276470 ZRHZDPLKPJWXNL-VDKIKQQVSA-N 442.563 5.070 30 20 IKED C[C@@H](c1cc(F)ccc1F)N(C)C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 482431099 CCDAKQLHDPFFGU-QFYYESIMSA-N 438.343 5.572 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccccc1)N[C@H](c1cccc(F)c1F)C(F)(F)F 482457634 TWRXUFXNELVZHG-UKRRQHHQSA-N 426.307 5.561 30 20 IKED CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(C)c1 483412014 MFYWZEYNBBEFAB-GOSISDBHSA-N 427.504 5.440 30 20 IKED C[C@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)C[C@H](CC#N)c1ccccc1 483772453 GLXHHBGSJLELGT-URXFXBBRSA-N 437.543 5.433 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3c(F)cccc3Br)c2)c1 486706869 LKAPESHWMFUGAI-UHFFFAOYSA-N 425.257 5.291 30 20 IKED C=CCn1c(S[C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)nnc1-c1ccccn1 488902901 WUOPGIBHIXXSEU-OAHLLOKOSA-N 437.956 5.996 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)nnc1-c1ccccn1 488924430 YWNIAVORFOUIHN-MSOLQXFVSA-N 443.576 5.037 30 20 IKED CC(C)Cn1cc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c2ccccc21 491502521 PLHUXJVBOHBJHB-UHFFFAOYSA-N 447.589 5.565 30 20 IKED Cc1ccc(-n2nc(C)c(NC(=O)CSc3ccc(C#N)c(C(F)(F)F)c3)c2C)cc1 499467749 DHAGGARQLHHKMO-UHFFFAOYSA-N 444.482 5.419 30 20 IKED N#Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)ccc1Oc1ccccc1 501567496 FMZJYKJVVLTEIG-UHFFFAOYSA-N 427.338 5.530 30 20 IKED C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C 504035483 HJWOLIYYYCPDLJ-INIZCTEOSA-N 449.576 5.062 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1ccc(OC)cc1)c1ccccc1OC 506672943 IHCHETXGWDYXGF-SANMLTNESA-N 441.531 5.063 30 20 IKED COc1ccc(CNc2cnn(-c3cccc(C(F)(F)F)c3)c2)cc1OCCCC#N 507939499 ZEHOPSFGEGGPDJ-UHFFFAOYSA-N 430.430 5.194 30 20 IKED COc1ccc(CCCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 508276512 UHOOQUISPMDGJB-UHFFFAOYSA-N 431.492 5.122 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(OCCCC)CC1 508955463 GVNTXWBHOIGFEL-UHFFFAOYSA-N 439.387 5.135 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cc(Br)cs1 510575372 ALKJBTZXGIIUEE-UHFFFAOYSA-N 442.338 5.805 30 20 IKED CC1(C)CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)[C@H]1[C@@H]1CCCO1 514759509 ZQVJOQUGJLYYBR-VXKWHMMOSA-N 439.943 5.212 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1Oc1ncc(Cl)cc1Cl 515241956 OCHXAIFSOYMZKB-ZDUSSCGKSA-N 428.275 5.458 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 517468422 MOINOOWRGHJWIG-KSFYIVLOSA-N 439.556 5.064 30 20 IKED N#C[C@H](NC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1cccc(C(F)(F)F)c1 518320384 JCLXEFIIRVMWRG-KRWDZBQOSA-N 439.224 5.193 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1 519436437 OWYUMYCWTBLFEB-HUUCEWRRSA-N 449.498 5.115 30 20 IKED Cc1oc(-c2ccccc2)nc1CSCC(=O)Nc1ccccc1SC[C@H](C)C#N 520832731 PXBGWUCGHPYEJH-MRXNPFEDSA-N 437.590 5.774 30 20 IKED Cc1nc(NC(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)sc1SCC#N 521599422 ULZSRXUVFJCVGQ-UHFFFAOYSA-N 443.981 5.481 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 522603517 ZRPRQRMSHYJXBZ-JGCGQSQUSA-N 445.588 5.450 30 20 IKED Cc1ccc2c(C3=CCN(C(=O)c4occc4COc4cccc(C#N)c4)CC3)c[nH]c2c1 523286447 UPIHZFPDDMTVQK-UHFFFAOYSA-N 437.499 5.450 30 20 IKED C=CCc1cc(C(=O)N(CCC)[C@H](c2ccc(F)cc2)c2cccnc2)cc(OC)c1OC 524836318 OUFAJOTZKILKQK-RUZDIDTESA-N 448.538 5.608 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(COCc3ccccc3)cc2)c1C#N 525616029 TZJXBGHPCPWYEA-UHFFFAOYSA-N 429.545 5.522 30 20 IKED C=CCn1c(SCC(=O)N2CCc3ccccc3[C@@H]2C)nnc1-c1ccc(Cl)cc1 531368463 LYXSBQNCARANGG-INIZCTEOSA-N 438.984 5.023 30 20 IKED Cc1noc(C)c1CN(Cc1ccc(-c2ccccc2C#N)cc1)Cc1c(C)noc1C 532980092 HDGCSSXJFRSZTG-UHFFFAOYSA-N 426.520 5.637 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N(CC(F)(F)F)c2ccccn2)cc1Cl 534136684 CXJRVAADEKXDTE-UHFFFAOYSA-N 431.801 5.608 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc(CC#N)cc1 534636397 APZUTUCTTWCPSR-UHFFFAOYSA-N 437.421 5.585 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 537244454 WOYYCQLDCVGZTE-ZEQRLZLVSA-N 449.457 5.589 30 20 IKED COc1cc([C@H](C#N)NC(=O)c2cc(C)ccc2SC2CCCC2)cc(OC)c1OC 537332561 VLARSQCYDONTAB-IBGZPJMESA-N 440.565 5.050 30 20 IKED CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2ccccc2Oc2ccccc2C#N)c1 537569292 GYPYFQKKSPCPJT-HKBQPEDESA-N 432.545 5.650 30 20 IKED COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 537890253 ATRVLXWPIDWNKT-OSPHWJPCSA-N 432.545 5.224 30 20 IKED CCOc1cc(Br)ccc1NCc1cn(CCC#N)nc1-c1ccccc1 539920991 USCNERUQEXOPGU-UHFFFAOYSA-N 425.330 5.237 30 20 IKED N#Cc1cccc(-c2nnc(CNC3(c4noc(C5CCCCC5)n4)CCCCCC3)o2)c1 544521237 NEFHQWKVAMALAB-UHFFFAOYSA-N 446.555 5.378 30 20 IKED Cc1cc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c(C)n1Cc1ccncc1 545875597 VUJAYLFJNZPHQG-UHFFFAOYSA-N 436.515 5.251 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1ncsc1C(F)(F)F 549010470 ZEUYRXGBRJTITH-UHFFFAOYSA-N 438.271 5.374 30 20 IKED C[C@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@H](C)c1ccccc1C(F)(F)F 552135835 JIQVMWFKEODGIJ-HOTGVXAUSA-N 447.476 5.241 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccnn1Cc1ccccn1)c1ccc(C(F)(F)F)cc1 552857998 KMHZPNFWKRBIQP-LJQANCHMSA-N 429.446 5.174 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC=C(c3ccncc3)C2)cc1Cl 554130969 BMCXFBXCHKSKBX-HSZRJFAPSA-N 428.923 5.712 30 20 IKED C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 554932471 UZLQNRCXUTWIFX-RYCFVGSHSA-N 444.579 5.305 30 20 IKED Cc1cc(SC2CCCCC2)ccc1NC(=O)C(=O)N[C@@H](CCCC#N)c1ccccc1 556624869 OVAVZFOVRAPBCH-DEOSSOPVSA-N 449.620 5.910 30 20 IKED COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)[C@H](C#N)c1nc2ccccc2o1 559628361 DRAWVFKXORKAIJ-IBGZPJMESA-N 434.455 5.179 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)c1 560855282 LRDTVPOTJIQOKV-CYFREDJKSA-N 432.907 5.512 30 20 IKED CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 568806507 ITOOACIAGGPBRI-IVZQSRNASA-N 436.899 5.297 30 20 IKED Cc1c(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)sc2ccc(C#N)cc12 574297871 HNEGJFCDZSFMMV-MRXNPFEDSA-N 440.528 5.220 30 20 IKED C[C@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)Nc1cccc(Cl)c1Cl 576157342 PUEVPUKSQILYAT-ZDUSSCGKSA-N 427.291 5.491 30 20 IKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 589365555 BVLGKXGLTYYNDI-NBGIEHNGSA-N 442.519 5.377 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)c1 589809185 QGLMOCXXOSHBHL-HXUWFJFHSA-N 434.458 5.112 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(NCC(F)(F)F)c2)cc1 590537254 FZGXFYUQXDYCFP-UHFFFAOYSA-N 441.478 6.077 30 20 IKED Cc1c(C(=O)Nc2sc3c(c2C#N)CCCC3)cnn1-c1cccc(C(F)(F)F)c1 591709574 MYZUNVHGUCJPNK-UHFFFAOYSA-N 430.455 5.264 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2n[nH]c(/C=C/c3ccccc3)n2)c1 598953317 RCDCGIBDHXPEIN-GNISGLHKSA-N 431.565 5.019 30 20 IKED Cc1ccc(-c2nc(CC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cs2)o1 603766892 YYFYQTGXXLFONW-FQEVSTJZSA-N 447.947 6.202 30 20 IKED C[C@H]1CN(c2ccccc2NC(=O)c2ccc(OCc3ccccc3C#N)cc2)C[C@@H](C)O1 603985548 RYXPUBLRPPVKBO-BGYRXZFFSA-N 441.531 5.003 30 20 IKED C=CCc1ccc(OCC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c(OC)c1 603991335 IZPSMUURRSUNSZ-UHFFFAOYSA-N 430.529 5.140 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nc2ccccc2[nH]1 604088127 DLVBTRQAYAMIGN-CQSZACIVSA-N 431.883 5.763 30 20 IKED O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 605016576 IOIYUUXLRDCKNP-ZYHUDNBSSA-N 434.302 5.088 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)c2sccc2C)c1 606140080 LVXJIHQJMCNFLL-QFIPXVFZSA-N 434.561 5.050 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 608918442 LHOGZMWPORNDJY-HOTGVXAUSA-N 435.412 5.388 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 608994603 OOZYCRQWPKOKIP-NRFANRHFSA-N 436.943 5.121 30 20 IKED Cc1nc(NC(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c23)sc1SCC#N 609019944 CFTDVTXBTFJADT-UHFFFAOYSA-N 439.522 5.239 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 609058537 AOKUTPCQCKQQBZ-UHFFFAOYSA-N 449.466 5.955 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(CCc1ccccn1)Cc1ccc(F)cc1 609398458 STUDMBUTIDCNJF-IBGZPJMESA-N 448.567 5.749 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc4c(nc3O)CCCC4)cc2Cl)c1 609455743 AYRKRSUOMCPIJB-UHFFFAOYSA-N 433.895 5.022 30 20 IKED N#Cc1cc(NC(=O)NCc2ccccc2CO)ccc1Oc1ccc(C(F)(F)F)cc1 610331713 KGTVRXZSGBFAJZ-UHFFFAOYSA-N 441.409 5.183 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1csc(-c2ccccc2F)n1 620168421 AEJNUMZVFYFVHR-UWVGGRQHSA-N 440.384 5.589 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2cccc(C(C)=O)c2)C(C)C)nnc1-c1ccccc1 637751507 AUZYXBGHYPGNRQ-OAQYLSRUSA-N 434.565 5.089 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c1C(F)F 676145559 JJMQKVIAGBYBKG-QMMMGPOBSA-N 429.311 5.369 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2cccc(CCC(F)(F)F)c2)c1C(F)F 676181168 AZZRGXMAHYQILE-UHFFFAOYSA-N 429.311 5.607 30 20 IKED Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 679188747 NZWAJOLRDFPJKD-AOOOYVTPSA-N 444.347 5.210 30 20 IKED O=C(NC[C@@H](c1ccccc1)C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 681612987 UOYNYGWPNVGMNF-XQQFMLRXSA-N 436.318 5.105 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N(Cc1c(F)cccc1F)C1CC1 682848613 AOZBEDHXYUMLNQ-QWRGUYRKSA-N 444.366 5.548 30 20 IKED Cc1ccc(F)c(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1Br 683734625 IURJTWOMMNHHTN-DTORHVGOSA-N 436.165 5.100 30 20 IKED C=CCOc1ccc(C(=O)N(CCC)Cc2nnc(-c3ccccc3Cl)o2)cc1OC 684072086 NASAJLQQCKLEEA-UHFFFAOYSA-N 441.915 5.016 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc(-c2ccccc2)nc2onc(C)c12 726319139 ZFBZDZLJBURQCP-IBGZPJMESA-N 434.455 5.193 30 20 IKED Cc1ccc(N(CCC#N)C(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 726940451 KLILTBHTPQYMBL-XMMPIXPASA-N 445.950 5.457 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c1 728013939 JEUPJDTUSSDIMO-UHFFFAOYSA-N 430.414 5.265 30 20 IKED CC(C)[C@@H](OC(=O)c1cc2ccccc2n1CC#N)C(=O)Nc1ccccc1C(F)(F)F 729766425 HOONSNHMKMOOOP-HXUWFJFHSA-N 443.425 5.004 30 20 IKED O=[N+]([O-])c1ccc(-c2ccc(C=Nn3c(S)nnc3-c3ccc(F)cc3)o2)c(Cl)c1 730550046 SRBBYGHLRUZMLK-UHFFFAOYSA-N 443.847 5.077 30 20 IKED CC(C)(C)n1cc(C=Nn2c(S)nnc2-c2ccccc2)c(-c2ccccc2Cl)n1 731149051 GXTYKFLKTNYCCX-UHFFFAOYSA-N 436.972 5.388 30 20 IKED CC[C@H](C)c1ccc(NC(=O)COC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 732399728 WEJVWSDPRLSRHH-KRWDZBQOSA-N 429.476 5.055 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cnn(-c3ccccc3Cl)c2C)cc1 732708645 SVROPMYTOZRYTG-LJQANCHMSA-N 434.927 5.138 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H]2c2ccc(Br)cc2)c1 733804347 CCLYJYSAVJSRAP-CTNGQTDRSA-N 442.357 5.177 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 733843873 CAYBLLSTPDVXLP-NRFANRHFSA-N 440.503 5.662 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Sc3ccccc3)cc2C)c1 733844660 SKLJOMZFNRBWQK-FQEVSTJZSA-N 431.561 6.149 30 20 IKED CCCN(Cc1ccccc1O)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 735863367 KJFNNMFSLJIOII-UHFFFAOYSA-N 429.520 5.481 30 20 IKED CSCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1Cl 735969128 DRPAWJJWGXNDDL-GOSISDBHSA-N 448.013 5.053 30 20 IKED C=C(Cl)CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1F 735969273 PLICRQFXVHSXJB-LJQANCHMSA-N 445.947 5.155 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(Nc3ccc(C)nn3)c2)cc1 737322825 KKPPBKDOAVTFPO-OPAMFIHVSA-N 427.508 5.003 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2c(C)n(C3CCCC3)c3ccc(OC)cc23)c1 741695696 GNJBHQZTSGLLOJ-NRFANRHFSA-N 445.563 5.684 30 20 IKED N#Cc1ccccc1Oc1ccc(NCC(=O)Nc2ccc(N3CCCC3)cc2)cc1F 742464166 JBBBPEFQZJTXTF-UHFFFAOYSA-N 430.483 5.140 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1NC(=O)CC(C)C 744032093 CCDZMZHGNVNNLY-GOSISDBHSA-N 446.334 5.248 30 20 IKED C[C@H](c1ccc(-c2ccccc2)cc1)N(C)CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N 744418485 DONZOJNAUSSZPH-NTKDMRAZSA-N 432.527 5.584 30 20 IKED COCC[C@H](Cc1cccc(Br)c1)C(=O)[C@H](C#N)c1nc(C(C)C)cs1 747193262 GYMHSTBSMSEZST-WBVHZDCISA-N 435.387 5.101 30 20 IKED COc1ccc(NN=Cc2csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n2)cc1 750921867 LOIMITSEPVRLGT-UHFFFAOYSA-N 434.443 5.301 30 20 IKED COc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1F 751826202 FLMDUXROUVRCLB-INIZCTEOSA-N 442.899 5.451 30 20 IKED N#CCSc1ccccc1NC(=O)CSc1nc2cc(C(F)(F)F)ccc2s1 753854941 SLOLAQUODILVCC-UHFFFAOYSA-N 439.509 5.662 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCn3c(cc4cc(Cl)ccc43)C2)cc1 755221439 YQTWALIQMUGISZ-DEOSSOPVSA-N 440.934 5.998 30 20 IKED C#CCN(C(=O)N[C@H](C)CCCC(F)(F)F)[C@H]1CCOc2ccc(Br)cc21 755298609 QRPJDDXNJPXZIB-CJNGLKHVSA-N 447.295 5.039 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cnc(C2CC2)s1 761801881 RCDZNJQUNCCXGL-UHFFFAOYSA-N 426.954 5.303 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)c1 763617774 PXROYJWKZRKQER-LJQANCHMSA-N 443.469 5.385 30 20 IKED COc1ccccc1OC[C@H](C)CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 763933036 XMTDOZVNZBJEJQ-AUSIDOKSSA-N 429.520 5.187 30 20 IKED N#Cc1cc(NC(=O)c2cccnc2SCc2ccc(F)cc2)c(Cl)c([N+](=O)[O-])c1 764312645 CSMIYGANQJKEKK-UHFFFAOYSA-N 442.859 5.199 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)[C@H]1CC=CCC1 764754608 HOMHMIWEPQABIU-ZETCQYMHSA-N 440.224 5.328 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)C[C@H](O)c1ccc(F)cc1 765971548 ZRWKTPPWLOLSIP-OSPHWJPCSA-N 433.483 5.432 30 20 IKED COc1ccc(/C=C2\SC(=Nc3c(C)cccc3C)NC2=O)c(OCc2cccnc2)c1 766483265 GCDBCYWBSSVGCG-UUYOSTAYSA-N 445.544 5.178 30 20 IKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1ccc(O[C@H](C)C#N)cc1)CC2 768180460 PRLUHSRPQSTZLQ-NSYGIPOTSA-N 434.561 5.204 30 20 IKED C[C@@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)cc1 769787513 QLFUXOZGUIRPIU-HSZRJFAPSA-N 425.576 5.074 30 20 IKED N#C[C@@H](C(=O)c1ccccc1NCc1cccnc1)c1nc(-c2ccc(Cl)cc2)cs1 776076872 JTTOAFYXXDBPSW-FQEVSTJZSA-N 444.947 5.961 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@](O)(c3ccc(F)cc3)C2)cc1Cl 777567281 HMZGBVLMTMGFPW-WIOPSUGQSA-N 449.913 5.260 30 20 IKED COc1cc(CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc(OC)c1OC 779595236 GGEYYCIZXGKWAL-UHFFFAOYSA-N 438.911 5.429 30 20 IKED C#CCn1ccc(CN(CC)C(=O)Nc2ccc(Sc3nc(C)cs3)c(Cl)c2)n1 788595803 FDYBJQAZYGRGDG-UHFFFAOYSA-N 446.001 5.140 30 20 IKED CN(CCC#N)c1ccc(CN[C@H](Cc2ccccn2)c2ccc(Br)cc2)cc1 788969756 NKHJYUWDAINKEM-XMMPIXPASA-N 449.396 5.268 30 20 IKED CCNC(=O)N(C)c1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 794113011 RLUZNCRZOKLASB-UHFFFAOYSA-N 448.910 5.422 30 20 IKED C[C@@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 796042023 DBXHKKWDZPPUBN-GFCCVEGCSA-N 438.833 5.344 30 20 IKED CC(C)(C(=O)OCC1(C#N)CCOCC1)c1csc(-c2c(Cl)cccc2Cl)n1 797243652 BZTZQVCJVRACGC-UHFFFAOYSA-N 439.364 5.258 30 20 IKED N#CCCn1cc(C(=O)COC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)c2ccccc21 801897418 GADHIXAAXOYMLL-HXUWFJFHSA-N 432.373 5.010 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)N3C2=O)cc1Cl 804200367 GPFLBCMDHDBAOE-NHTMILBNSA-N 441.918 5.668 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(c3ccccc3F)CC2)cc1 806200258 BRMDQGSSLQLVBO-HSZRJFAPSA-N 428.511 5.225 30 20 IKED C[C@@H](N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21)c1ccc(C#N)cc1F 810258214 RZHWUXCRTGYYNM-QVKFZJNVSA-N 439.531 5.997 30 20 IKED CC(C)(C)OC(=O)NCC1(CC(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)CCCCC1 813217985 LAOWJXBCYGKHBZ-INIZCTEOSA-N 439.478 5.142 30 20 IKED N#Cc1ccc(Br)c(CNc2cccc(C[S@@](=O)Cc3ccccc3)c2)c1 864011493 GGJGKISMCIMYGW-MHZLTWQESA-N 439.378 5.382 30 20 IKED N#Cc1cc(F)cc(C2(c3nc(-c4cccc(Cn5cnc6ccccc65)c4)no3)CC2)c1 904489566 JMYDOXWFSGSPOG-UHFFFAOYSA-N 435.462 5.225 30 20 IKED N#CCCCCOC(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 914630599 IZXWIORUXUUTAX-UHFFFAOYSA-N 434.517 5.005 30 20 IKED CCOc1cc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc(Br)c1O 916154480 GYBFCUBTIYXMSY-AATRIKPKSA-N 441.705 5.120 30 20 IKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1C 916215561 IPMWPIOBYYBHDN-SFHVURJKSA-N 447.482 5.160 30 20 IKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)oc2ccc(F)cc12 916904453 DDELIRIFISMXEO-IBGZPJMESA-N 428.419 5.634 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 920103968 KFLZTRNJSBFTAL-SFHVURJKSA-N 446.894 5.094 30 20 IKED CCOc1ccc(CCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 920108266 DOHBUGHYOMNLME-QFIPXVFZSA-N 428.488 5.158 30 20 IKED N#C[C@H](C(=O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccncc2)cs1 920265854 VLDMYWCJMGWDFJ-OAHLLOKOSA-N 432.332 5.547 30 20 IKED CCO[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1 920325090 YGLAYELXZRGGKJ-UZLBHIALSA-N 431.344 6.071 30 20 IKED N#C[C@H](COC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)Cc1ccc(F)cc1 920877084 LMRLZSPVNDHPAL-OAHLLOKOSA-N 442.899 5.332 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cnc(C)s3)CCC2)cc1 1786104512 XASDTWVFLSDBOQ-BUHFOSPRSA-N 435.593 5.367 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1 1787950908 NLIBEEGQSSUNRZ-UMXIMWEHSA-N 429.564 5.075 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccccc4n3)cc2)CCC1 1788890541 NINNQTZMLPGTDY-UHFFFAOYSA-N 440.547 5.146 30 20 IKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4[nH]c(C)cc4c3)CCC2)cc1 1790568345 WYHKEAGMHBGXMU-GOSISDBHSA-N 446.551 5.025 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4[nH]c(C)cc4c3)cc2)CCC1 1790986078 WOAVFDCKGRNIIG-UHFFFAOYSA-N 445.563 5.207 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3csc(C(F)(F)F)n3)CCC2)cc1 1791249110 KPFLTWLDSPJQOL-CYBMUJFWSA-N 437.487 5.122 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@H](c3ccccc3)N(CC)CC)CCC2)cc1 1791583732 FIQWBUQXRPIJSD-SANMLTNESA-N 445.607 5.007 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccoc3s2)n[nH]1 1817822642 GEHOGLILQWKNPA-GOSISDBHSA-N 438.553 5.292 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2Cl)[nH]n1 1819308244 YOGLGSYNVWHMCZ-UZLBHIALSA-N 426.948 5.137 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)ccc2C)CC1 1823894938 ZOVGYTNEMZMEFK-LADGPHEKSA-N 426.576 5.136 30 20 IKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 1824500875 OOIIMYRBQOLUGI-HVCNVCAESA-N 446.676 5.051 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC=CCC2)CC1 1828906846 LDYWXNGZBOUKLM-ZEQRLZLVSA-N 442.720 5.014 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3sccn3c2)CC1 1829067468 LVGDRRBCURSAAU-NRFANRHFSA-N 441.641 5.227 30 20 IKED CC1(C)CCC(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 1830423417 OEJXCDNPLMADLQ-RUZDIDTESA-N 449.639 5.398 30 20 IKED Cc1cccc(Cl)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1 1830595462 BNDWKDMBAZBMCY-QHCPKHFHSA-N 449.982 5.067 30 20 IKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2C)CC1 1831853498 XWYGMIKGNUSXPX-QFIPXVFZSA-N 448.529 5.051 30 20 IKED CCC(CC)n1c(COc2ccccc2Cl)nnc1SCc1ccc(C#N)cc1 9033796 HZLIEZFNZSWEFD-UHFFFAOYSA-N 426.973 6.036 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cccc(C)c2C)cc1 10167890 XGPFERGSQYDEEX-UHFFFAOYSA-O 425.524 5.482 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccccc2Cl)cc1 10826928 MBBFSZSRBHUANE-UHFFFAOYSA-O 431.915 5.519 30 20 IKED COc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2cccc(O)c2)c1 11259197 KTIIBYBRIRDORG-UHFFFAOYSA-O 448.351 5.046 30 20 IKED COc1cc(CN(C)C(=O)c2ccccc2Sc2ccccc2C#N)ccc1SC 58771877 NDWDULCAWZBFOW-UHFFFAOYSA-N 434.586 5.712 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N3CCC(C#N)CC3)cc12 61585298 KZXDDUQXHYSYIJ-UHFFFAOYSA-N 433.364 5.137 30 20 IKED Cc1ccc(C#N)cc1NC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 63962161 JPECGSRSVMORNZ-UHFFFAOYSA-N 427.888 5.534 30 20 IKED C[Si](C)(C)C#Cc1cc(Br)c(C#C[Si](C)(C)C)cc1Br 196128464 TUMMIWKEWMEYTF-UHFFFAOYSA-N 428.316 5.669 30 20 IKED N#CCCn1ncc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1-c1ccccc1 428340303 ORVHROYONZFXAZ-UHFFFAOYSA-N 441.560 5.093 30 20 IKED CC(C)N1CC[C@H](NC(=O)N[C@H](CCCC#N)c2ccccc2)[C@H]1c1ccc(F)c(F)c1 431462511 BQLJBRLICILNAC-TZRRMPRUSA-N 440.538 5.223 30 20 IKED CCCc1c(NC(=O)N2CC[C@@](C)(c3ccc(F)cc3)C2)cnn1-c1cccc(C#N)c1 432584470 OZURCIGYUQWTCW-RUZDIDTESA-N 431.515 5.031 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1 432656607 IZONEPICGLGIHC-FQEVSTJZSA-N 446.473 5.099 30 20 IKED N#CCCC[C@H](NCC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 433020006 MGJPOZXDXOAAKV-AHWVRZQESA-N 431.967 5.570 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN[C@@H](CCCC#N)c2ccccc2)cs1 433021613 RMWCZNGZCRJUPB-DEOSSOPVSA-N 432.593 5.969 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1)c1ccccc1 433171222 AMLJUTUYMUNALH-JOCHJYFZSA-N 431.496 5.158 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1CN(C)c1ccccc1 433767502 WMMUBWJYMYMIPE-UHFFFAOYSA-N 430.508 5.451 30 20 IKED COc1ccccc1C[C@@H](C)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 437893386 FNIOREPVXSWCEP-HXUWFJFHSA-N 443.547 5.435 30 20 IKED CN(c1ccccc1)C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 438694393 VZXKBRBFVXTQRL-UHFFFAOYSA-N 426.520 5.483 30 20 IKED CCCOc1ccc2c(c1)CCN(C(=O)Nc1cnn(-c3cccc(C#N)c3)c1CCC)C2 439691956 HJDFDKZLLQBKIF-UHFFFAOYSA-N 443.551 5.075 30 20 IKED N#Cc1cc(NC(=O)N2CCC[C@H]2c2nc3ccccc3s2)ccc1OC(F)(F)F 442194851 NMRGVKCYBQKKDO-HNNXBMFYSA-N 432.427 5.436 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c2ccccc21 444041300 ZBIOOBOYJYEUSV-UHFFFAOYSA-N 448.526 5.842 30 20 IKED Cc1cccc2nc(C3CCN(C(=O)Nc4ccccc4SC[C@@H](C)C#N)CC3)oc12 444813899 AVRKNZYMWBHKNC-INIZCTEOSA-N 434.565 5.800 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2sc(-c3ccc(F)cc3)nc2C)c1C#N 445558650 AADXSOGATMLJHY-UHFFFAOYSA-N 449.536 5.289 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1c1ccc(COC)o1 460374424 HXPJYCMBXZFTGN-FXAWDEMLSA-N 440.519 5.214 30 20 IKED C=CCN(C(=O)c1cnnc(-c2ccccc2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 463093196 JTEQGDRIUJBBFN-UHFFFAOYSA-N 443.488 5.008 30 20 IKED Cc1ccccc1-n1ncc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c1C(F)(F)F 464473224 QYHVYLPPYNGEHX-ZDUSSCGKSA-N 438.331 5.103 30 20 IKED N#C[C@@H](NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc(Cl)cc1 468931923 KMBMSOVMJIZMEM-QGZVFWFLSA-N 449.725 5.401 30 20 IKED Cn1nc(C(F)F)c2cc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)sc21 470966013 FVUMMRKFKCXSOM-UHFFFAOYSA-N 442.422 5.628 30 20 IKED N#CC1(c2ccc(C(=O)N[C@@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)cc2)CC1 474272557 ZGZABZZTPDFJHP-KRWDZBQOSA-N 426.360 5.684 30 20 IKED Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 474441918 RTWFKIQUKIUZOT-MRXNPFEDSA-N 443.370 5.322 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 475522526 ALTXCSYMHQJPBT-GOSISDBHSA-N 434.927 5.211 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 479913910 SMEMFFFOJNSEAR-UHFFFAOYSA-N 431.970 5.935 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 480144435 MDPADSSNTLCESI-UHFFFAOYSA-N 426.307 5.083 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 481602059 ZWQFLAWPOSHMPK-DEOSSOPVSA-N 445.494 5.654 30 20 IKED C[C@H](c1cc(F)ccc1F)N(C)C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482457136 SDDSOGXOWXQEQA-HWPZZCPQSA-N 438.343 5.572 30 20 IKED COc1ccccc1-c1csc(C2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)n1 483057682 OBZGJXDRIVCEJF-UHFFFAOYSA-N 443.572 5.128 30 20 IKED N#Cc1cc(NC(=O)N(CCC(F)(F)F)Cc2ccccc2)ccc1OCC(F)(F)F 484294912 NMDYPCNGCWVXQY-UHFFFAOYSA-N 445.363 5.486 30 20 IKED C=CCSc1ccccc1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 485462011 MRUYIIGXSWLZHD-UHFFFAOYSA-N 445.426 5.122 30 20 IKED CC(C)(SCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)c1ccccc1 485464463 JIXIAGQIUCVRBV-IBGZPJMESA-N 437.609 5.025 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)nnc1-c1cccc(OC)c1 488892305 PYXCMRZRUNCZOT-HNNXBMFYSA-N 442.972 5.221 30 20 IKED N#Cc1c(SCc2nc(COc3ccc(F)cc3)no2)nc2c(c1-c1ccco1)CCC2 496881755 KOMMRCIMTGWKJC-UHFFFAOYSA-N 448.479 5.095 30 20 IKED O=C(Nc1ccc(Cl)cc1OCC(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 497528129 AQHCXKSBROMMNW-UHFFFAOYSA-N 440.718 5.333 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccn1 497607582 MWBDBGJJWLDDEZ-VWLOTQADSA-N 431.584 5.239 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)c1 505317808 RGTDUXPXRJEFDM-UHFFFAOYSA-N 426.822 5.341 30 20 IKED N#C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(Cl)cc1 505808574 IEVRFDXEHNTFIM-KRWDZBQOSA-N 434.710 5.615 30 20 IKED N#Cc1cc(C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)cnc1C(F)(F)F 505954367 NXXMPYZMZPCWOD-UHFFFAOYSA-N 437.208 5.593 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F 506679084 BUHPGFNAEBPARE-DIFFPNOSSA-N 429.414 5.642 30 20 IKED CCN(C[C@H](C)C#N)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 509981718 IPQRTLMQZOQRMB-YAJBTMAUSA-N 434.521 5.143 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3cccc(O)c3)CC2)cc1Cl 510004262 FGCBZKUKHPVDHR-QHCPKHFHSA-N 446.938 5.055 30 20 IKED CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@@H](C)Cc1ccccc1C(F)(F)F 511364501 UIYIYYQMWYBSFH-LBPRGKRZSA-N 429.364 5.084 30 20 IKED CCN(Cc1ccccc1Cl)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511515396 QHLDJLYQCXYHAF-UHFFFAOYSA-N 432.911 5.518 30 20 IKED Cc1ccccc1C1(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCOCC1 512798474 WOKQORNRGISKOR-UHFFFAOYSA-N 440.543 5.327 30 20 IKED N#Cc1cccc(COc2cccc(CNC3CCN(Cc4ccc(F)c(F)c4)CC3)c2)c1 513638836 WJXJMWFQFHVHKQ-UHFFFAOYSA-N 447.529 5.170 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1nc(-c2ccccc2)cs1 513647695 LMZCGOUBKCOHJB-GOSISDBHSA-N 438.434 5.505 30 20 IKED Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 513738084 NZKAQSLCJZYRLK-NSHDSACASA-N 448.470 5.362 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 514205690 FJFPZLVOQJINGA-HXUWFJFHSA-N 432.417 5.684 30 20 IKED N#CCSc1ccccc1NC(=O)CN[C@H](c1ccc(F)cc1)c1ccccc1Cl 515664293 OQFWOAHHVIUJNM-HSZRJFAPSA-N 439.943 5.412 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 516085857 RNVTZOGZPQYDAC-UHFFFAOYSA-N 448.338 5.017 30 20 IKED N#Cc1ccc(Oc2cccc(NCc3nc(-c4cccc(C(F)(F)F)c4)no3)c2)cc1 517168379 CUPUZLSVOWFGNQ-UHFFFAOYSA-N 436.393 6.031 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1 519414730 SNHAJHAKNGNWLY-CQSZACIVSA-N 426.542 5.198 30 20 IKED C[C@H]1CCCCN1C(=O)c1ccc(NCc2cccc(OCCCC#N)c2)cc1Cl 520206644 YNDQEULKKVPVDK-SFHVURJKSA-N 425.960 5.649 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CCCOc1ccccc1Br 520826221 GOHGAKWCPDAWHG-OAHLLOKOSA-N 433.371 5.499 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1 522294828 SDQPUMOESIDUIT-LJQANCHMSA-N 443.915 5.890 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2C[C@H]2c2c(F)cccc2F)cc1 522605531 HGFDQXAZENRDHR-OFNKIYASSA-N 435.449 5.243 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1cccc(CS(C)(=O)=O)c1C 523984547 LIGRNXMFZHIQFO-UHFFFAOYSA-N 449.532 5.156 30 20 IKED Cc1sc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)c(C#N)c1C 524316718 VDHVSSXSJDBUGW-UHFFFAOYSA-N 432.480 5.709 30 20 IKED CCC(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 525229663 FPYUVSKQLHQGAS-UHFFFAOYSA-N 432.455 5.160 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 530462474 NBLPOHZYRRUJFY-DQEYMECFSA-N 426.520 5.226 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cccc3c2CN(c2ccccn2)C3)cc1 533840837 JMLUFGFDKLCGQH-UHFFFAOYSA-N 446.510 5.305 30 20 IKED COc1ccccc1-c1nc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)n[nH]1 536431635 CGOOOLIHUZDRCX-UHFFFAOYSA-N 445.866 5.050 30 20 IKED COc1ccc(-c2csc(NC(=O)CSc3cccc(Cl)c3C#N)n2)c(OC)c1 536736141 ACXFJSJAUSQLKU-UHFFFAOYSA-N 445.953 5.083 30 20 IKED Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)c12 539681124 YKECEFGAUMDKOA-KRWDZBQOSA-N 442.548 5.071 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)c1ccc(-c2nc3ccccc3s2)s1 541367534 NDVBUIRSSGAMIM-UHFFFAOYSA-N 435.530 5.174 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cnn(CCC(F)(F)F)c3)cc2Cl)c1 542217393 IFNMFPZAIIACKG-UHFFFAOYSA-N 448.832 5.192 30 20 IKED C[C@H]1C/C(=C/c2ccco2)c2nc3ccccc3c(C(=O)N3CCC(CC#N)CC3)c2C1 543839309 LDZGPQLLJBZLLV-CIJMEZBMSA-N 425.532 5.717 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](C)[C@@H]2OCCc3sccc32)cc1 550008119 CVJBPPPJVGUTOR-WNSKOXEYSA-N 434.517 5.309 30 20 IKED N#CCCC[C@H](NC(=O)C(=O)Nc1ccc(OCC2CCCCC2)cc1)c1ccccc1 551831160 SMNKTFFHOSRNRC-DEOSSOPVSA-N 433.552 5.136 30 20 IKED C[C@H](NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1ccccc1OC(F)F 552755020 ZBQWPIVPAABBRE-HNNXBMFYSA-N 447.913 5.297 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)c3nc4ccccc4n3C(F)F)o2)cc1 556340941 ZLFBSUUBOGZKSQ-ZDUSSCGKSA-N 428.464 5.900 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 572966827 JGXKAVBJWSYTAM-FPOVZHCZSA-N 443.469 5.138 30 20 IKED CN1CCC[C@@H](CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@H]1c1cccs1 576912450 XAHPXFVCRHBGGY-SBUREZEXSA-N 447.564 5.012 30 20 IKED COC(C)(C)c1nc(C)c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)s1 577449560 KJWLELVAIXQSFR-UHFFFAOYSA-N 443.516 5.610 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 578944926 CRTVDNVEHDFWRL-UHFFFAOYSA-N 444.457 5.129 30 20 IKED COc1cc(CN[C@@H](C)c2sc(-c3ccc(Br)cc3)nc2C)ccc1C#N 582875320 SJWNSYFODBFLNJ-ZDUSSCGKSA-N 442.382 5.612 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NCc1ccc(F)cc1C#N 583231074 HNQPORISCVXJGH-GFCCVEGCSA-N 430.346 5.743 30 20 IKED Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c12 592973195 ALVPCFGBZLYCRF-INIZCTEOSA-N 428.448 5.437 30 20 IKED CC(=O)c1ccccc1NC(=O)[C@@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 594785887 ZQGPPKWCOKLDGI-CYBMUJFWSA-N 435.471 5.353 30 20 IKED Cc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cnn1-c1ccc(F)cc1 603815508 GHFKJDSWBQQENQ-UHFFFAOYSA-N 440.478 5.217 30 20 IKED CCCc1ccc([C@@H](NC(=O)N(CCOC)Cc2ccc(C#N)cc2)c2cccs2)cc1 604504412 SNJPKZCIUSAAHL-RUZDIDTESA-N 447.604 5.520 30 20 IKED C=CCn1c(SCc2csc([C@@H](C)OCC)n2)nnc1-c1ccc(C(C)(C)C)cc1 605903247 IYMUIUXOSRYRFZ-MRXNPFEDSA-N 442.654 6.275 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)c3nccs3)cn2)c1 609147627 WRLAJZZJTLGNDZ-NRFANRHFSA-N 427.489 5.113 30 20 IKED CCCN(CCc1ccccn1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 609206158 GRIXOGMAONCDTQ-UHFFFAOYSA-N 428.536 5.213 30 20 IKED COc1ccc(C2(NC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CCOCC2)cc1 609323479 TUZNQVUZXNDATE-UHFFFAOYSA-N 443.503 5.187 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)cc2)cc1 609496996 TVXOSQPMXHQIBN-UHFFFAOYSA-N 439.515 5.423 30 20 IKED N#CCCN(C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(F)cc1 609522236 RHZDNPKMUNBLMA-UHFFFAOYSA-N 433.430 5.457 30 20 IKED CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 609826567 HTBJVUGHWVKRBT-RDPSFJRHSA-N 435.568 5.294 30 20 IKED CC[C@@H](NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(Cl)cc1 609938464 SSHJOTBLBONHQJ-JOCHJYFZSA-N 433.895 5.210 30 20 IKED COc1ccc([C@H](C)CCNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1 610202794 CAFNVXAGSZDNJY-LJQANCHMSA-N 430.552 5.013 30 20 IKED Cc1sc2ncnc(Sc3ccccc3C(=O)N[C@H](C)c3cccc(C#N)c3)c2c1C 610366670 PSLAKKNAJRCJDA-OAHLLOKOSA-N 444.585 5.822 30 20 IKED Cc1ccc(-c2nc(CNC(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)co2)cc1 610407667 AQEFMQSDUFDZIG-UHFFFAOYSA-N 425.448 5.031 30 20 IKED C[S@](=O)c1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 610630104 CRCTWEJXVCAGSU-PMERELPUSA-N 439.924 5.063 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(Br)c3Cl)cn2)c1 611538160 JPYROIRIUQHPIM-UHFFFAOYSA-N 428.673 5.414 30 20 IKED C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@@H](c2ccco2)C1 670221318 YKMYFBBVFKWQTB-HXUWFJFHSA-N 447.564 5.124 30 20 IKED C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674431764 CPNRBOZBJLCLPU-TVYUQYBPSA-N 436.318 5.019 30 20 IKED C[C@@H]1CCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C4)C3)C[C@H]1F 679247737 HENDBOKCLRWQGY-ONMGLGSHSA-N 429.420 5.315 30 20 IKED Oc1nc(CN[C@H](c2c(F)cccc2F)C(F)(F)F)nc2cc(C(F)(F)F)ccc12 679549481 UVPUZOLESRFZBQ-OAHLLOKOSA-N 437.290 5.026 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(CC(C)C)cc2)[n+]2ccccc2CC)c1 726572596 DAQCTCUAPZZHFS-UHFFFAOYSA-O 441.620 6.040 30 20 IKED CCOc1cc(/C=C2/CCc3sccc3C2=O)ccc1OCC(=O)N(C(C)C)C(C)C 726890211 DTWQKZWREXDEIT-UYRXBGFRSA-N 441.593 5.384 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](CN3CCCCCC3)C2)cc1 728687843 OTRWTLJTELGYDR-BKMJKUGQSA-N 430.596 5.462 30 20 IKED N#C[C@@H](C(=O)C[C@H](c1ccccc1)C(F)(F)F)C(=O)Nc1cc(Cl)cc(Cl)c1 728766571 CEZIMSLGZNFNGW-JKSUJKDBSA-N 429.225 5.377 30 20 IKED C#CCN(C(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1)C1CCCCC1 730175283 FCGOVPICHMFSAE-UHFFFAOYSA-N 429.358 5.140 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)-c1ccccc1C2 731063518 OOERWNJCQDFLPJ-KRWDZBQOSA-N 442.540 5.448 30 20 IKED CC(C)OC(=O)C[C@@H](/N=C\c1cc(Cl)cc(Cl)c1O)c1ccccc1[N+](=O)[O-] 732772336 XLLQKDYWUZOIRS-QEPAMEFZSA-N 425.268 5.109 30 20 IKED N#CCOc1ccc(COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)cc1 733375178 VCYYRKUYIROBKR-MNDPQUGUSA-N 436.467 5.574 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(SCc3csc(C)n3)cc2)c1 733771451 RSBCZDFKTSVRDN-FQEVSTJZSA-N 437.590 5.355 30 20 IKED N#C[C@H](C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1nc(-c2ccncc2)cs1 734081375 JSRWAIYNCFGLLD-QGZVFWFLSA-N 449.923 5.108 30 20 IKED CN(C)c1ccc(CN(C(=O)c2cccc(COc3ccccc3C#N)c2)C2CC2)cc1 734101089 GKLILYPACLKALC-UHFFFAOYSA-N 425.532 5.008 30 20 IKED CC(=O)N(c1nc(/C=C2\COc3ccc(C)c(C)c3C2=O)cs1)c1ccc(F)cc1F 737445093 VVPFYBYWQSPTOW-OVCLIPMQSA-N 440.471 5.381 30 20 IKED Cc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1NC(=O)NC(C)(C)C 740816609 JLDGVDAWZNXZDS-HSZRJFAPSA-N 440.547 5.823 30 20 IKED Cc1cccc(NC(=O)[C@H](C)OC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1C 741819500 MUXVPGAVRKOUID-IBGZPJMESA-N 444.556 5.651 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)cc1 741903806 WBOCEGONIOBOLT-NRFANRHFSA-N 437.455 5.021 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Oc2ccc(N(C)C(=O)OC(C)(C)C)cc2)c1C#N 742765717 OOODVFQAKXJBIJ-UHFFFAOYSA-N 439.537 5.143 30 20 IKED C[C@@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2)no1 743216009 CCQBXCZQYHIJBV-SNVBAGLBSA-N 435.793 5.163 30 20 IKED Cc1ccc(N2C(=O)CC[C@H](C(=O)N[C@@H](C)c3cccc(C#N)c3)[C@H]2c2cccs2)cc1 743776934 KSCIEDBZHXCDFA-PZGSVQSZSA-N 443.572 5.290 30 20 IKED COC(=O)COc1ccc(C(=O)/C=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 745020934 SWCFNFZLPXLWBE-FLIBITNWSA-N 447.434 5.277 30 20 IKED C/C(=C/C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1ccccc1C(F)(F)F 745275119 WQDAIUYRQJIVLS-SSZFMOIBSA-N 440.421 5.403 30 20 IKED COc1ccc2cc([C@H](C)OC(=O)CCC(=O)N(CCC#N)c3ccccc3)ccc2c1 745959356 QKXQWJBXSLCTFM-IBGZPJMESA-N 430.504 5.180 30 20 IKED C=CCc1cc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc(OC)c1OC 747976122 QTQGMVBRUMQCGS-DEOSSOPVSA-N 441.531 5.409 30 20 IKED COc1cc(OC)cc(Oc2ccc(/C=C/C(=O)c3ccc(N4CCOC4=O)cc3)cc2)c1 748583775 GEYLDXCMOIOLTD-LFYBBSHMSA-N 445.471 5.349 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)c(F)cc2F)[n+]2ccc(CC)cc2)c1 748996123 RDUNFGITHBRFOE-UHFFFAOYSA-O 435.519 5.428 30 20 IKED CCCOc1ccc(-c2nc(C(=O)Oc3c(Cl)cc(C#N)cc3OC)cs2)cc1 749784623 GRRAVKOQNBGJJX-UHFFFAOYSA-N 428.897 5.352 30 20 IKED CCOc1ccc([C@@H](NC(=O)NCc2ccc(OCC#N)cc2)c2cccc(Cl)c2)cc1 752159727 HZVZFOCGUTXOIQ-XMMPIXPASA-N 449.938 5.230 30 20 IKED CCc1ccc(Cl)c(CC)c1NC(=O)CCCN1CCO[C@H](c2cccc(C#N)c2)C1 761758399 XZEJBXLOZGEQTN-QHCPKHFHSA-N 439.987 5.129 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)N(C)c4cc(Cl)ccc4C#N)cc3)o2)c1 764271610 GXZNRTHQIODJTP-UHFFFAOYSA-N 428.879 5.514 30 20 IKED C[C@@H](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1CCN(C(=O)OC(C)(C)C)CC1 766239014 ZWYSCEMZXBOSMG-RDJZCZTQSA-N 427.570 5.146 30 20 IKED CC(C)(C#N)c1ccccc1CNc1cc2c(cc1NC(=O)c1cccs1)OCCO2 767808691 RICDDGUZSBBDMN-UHFFFAOYSA-N 433.533 5.185 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)ccc1NC(=O)OC(C)(C)C 772550266 FUCCGUXKUHKQHW-HNNXBMFYSA-N 445.878 5.096 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H]2CCSc3ccc(Br)cc32)ccc1OC 772985970 MGRDXYXURZFJNW-SJLPKXTDSA-N 447.398 5.465 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccccc2NCc2ccccc2Cl)n1 776085149 XYZFLZXLEZIGPZ-INIZCTEOSA-N 439.924 5.075 30 20 IKED COc1cc(CNc2ccc(OCc3cccc(C#N)c3)cc2)ccc1OC(=O)C1CC1 779594011 AXEHWPXJJLSRCC-UHFFFAOYSA-N 428.488 5.073 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc(-c3ccccc3)nc3ccc(C)cc23)n1 780330883 HSUFJGNVFCTSLT-LJQANCHMSA-N 441.512 5.334 30 20 IKED COc1ccc2cc(/C=C\C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)ccc2c1 787351960 IUFZJVRPCBLRCL-XGICHPGQSA-N 439.515 5.083 30 20 IKED CC[C@@H](C)Oc1ccccc1/C=C/C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 787353040 OAXNMRYMJPPPGD-NRJHKNTJSA-N 431.536 5.099 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 789454645 CTCJXKXATFJAMG-GOSISDBHSA-N 429.605 5.696 30 20 IKED O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1c(C(F)(F)F)ccnc1Cl 794111921 SRNOXUOAJMWZPN-UHFFFAOYSA-N 434.670 5.626 30 20 IKED FC(F)(F)Oc1ccc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)cc1 794751184 MWYOMOCJUYOZLG-UHFFFAOYSA-N 428.439 5.092 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 799225716 OJDVFHHTBUULEX-HNNXBMFYSA-N 435.421 5.489 30 20 IKED CC(C)(C)OC(=O)N1CCN(CCCC2(C#N)CCOCC2)[C@H](c2ccccc2Cl)C1 800476269 IYFHZBISSVTHCR-NRFANRHFSA-N 448.007 5.034 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)c1 800572212 VFZPOKJXUQSOAB-OAHLLOKOSA-N 441.837 5.284 30 20 IKED C#CC[C@@H](Cc1ccccc1)NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 803526386 WUFADXYXDRTGCK-SFHVURJKSA-N 442.346 5.117 30 20 IKED Cc1csc([C@H](C#N)C(=O)COC(=O)C2(Cc3cccc(Cl)c3)CCCCC2)n1 805705810 WFMRRGRBTZQRFH-GOSISDBHSA-N 430.957 5.018 30 20 IKED N#C[C@@H](C(=O)[C@H]1CCN(c2ccccc2F)C1)c1nc2cc(C(F)(F)F)ccc2s1 810537475 UPBLRBZGPKRFLP-JSGCOSHPSA-N 433.430 5.157 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)c2sc3ccccc3c2Br)cc1C#N 810646862 GJZLLOUZPLPYKA-UHFFFAOYSA-N 444.310 5.356 30 20 IKED Cn1cc(/C=C2/CC(C(C)(C)C)C/C(=C\c3cn(C)nc3C(F)F)C2=O)c(C(F)F)n1 812240125 JQFBSFGOYAWNDM-VOFKWTQNSA-N 438.469 5.521 30 20 IKED Cc1ccc(C(=O)N[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)C(C)C)cc1 915102386 XZMJFWIZVPYKQT-RBBKRZOGSA-N 431.561 5.058 30 20 IKED CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN(CCC#N)Cc2cccnc2)c1=S 915795753 LBOWWKPMJGFXLD-UHFFFAOYSA-N 434.613 5.167 30 20 IKED C[C@H](Sc1ccccc1Cl)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916885943 APBMUDNGQZKFNZ-FZMZJTMJSA-N 440.924 5.483 30 20 IKED COCc1c(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)sc2cccc(F)c12 916917815 KBQPBVBRGLQEKY-INIZCTEOSA-N 432.476 5.301 30 20 IKED Cc1nn(-c2ccccc2)c(Cl)c1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917045913 CMJSTGLGTFXBHA-AWEZNQCLSA-N 427.316 5.587 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\CSc3ccccc3C2=O)cs1 917563965 TXOZCBXTSRBXRA-GXDHUFHOSA-N 426.950 5.853 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)c2C#N)C1 919977794 DZWLDDJPHZCWCZ-LBPRGKRZSA-N 430.455 5.201 30 20 IKED COc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccccc3OCC#N)sc2c1 919982125 JJASATRMOUIGAG-UHFFFAOYSA-N 429.501 5.054 30 20 IKED C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1ccc(C(F)(F)F)cc1 920108773 AKRQQRAPVBGFDJ-ABAIWWIYSA-N 426.797 5.339 30 20 IKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C=NN[C@H](C)c2ccccc2)c1 920383235 USJRPXCQSPTDIB-LJQANCHMSA-N 426.520 5.241 30 20 IKED CSc1nc(C)c(CCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(C)n1 920803778 CDZMADBAKXOHSC-AWEZNQCLSA-N 444.532 5.026 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2cccs2)n1)c1nc(-c2c(F)cccc2F)cs1 920805699 FQIPHSUWWWHQKZ-LBPRGKRZSA-N 443.525 5.692 30 20 IKED COc1ccccc1NC(=O)c1ccc(NC=C2C(=O)CC3(CCCCC3)CC2=O)cc1 920976703 PMHCUANHWYHDTM-UHFFFAOYSA-N 432.520 5.126 30 20 IKED CCOc1cc(/C=C2/Cc3cc(C)ccc3C2=O)ccc1OCC(=O)Nc1ccccc1 921263942 LNESRLJJJQKHPW-STZFKDTASA-N 427.500 5.234 30 20 IKED COc1cc(/C=C2/Cc3c(Cl)cccc3C2=O)c([N+](=O)[O-])cc1OCC(F)(F)F 921264411 SSJXZDLCUMEWCO-WZUFQYTHSA-N 427.762 5.020 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(OC)cc3)cc2)CCC1 1786329847 ASARIIBJLXJCIQ-NTUVXCKYSA-N 432.564 5.145 30 20 IKED Cc1ccoc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1788692293 HSWXHOSEWPRMIA-UHFFFAOYSA-N 433.895 5.175 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3SCC)C2)CC1 1804716660 VMJBQCBUVJLUIK-UHFFFAOYSA-N 443.657 5.031 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cccc4cc(C)[nH]c34)CC2)C1 1804858642 MVZIMMRPHOKUES-UHFFFAOYSA-N 435.612 5.314 30 20 IKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](c3ccccc3)[C@H](C)CC)[nH]n2)C1 1814393925 QIKOUTGZODFPQC-OUOWLKGYSA-N 434.584 5.198 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C(C)=C/c2cccs2)n[nH]1 1814411250 SKYRQRZYEGRKJJ-QKKWPNGZSA-N 438.597 5.335 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3ccoc3c2)[nH]n1 1814444033 PESPKUJXJAMUJQ-HXUWFJFHSA-N 434.540 5.454 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(C)CCCCC3)[nH]n2)c1 1823216237 DWQWZZCRSIQCOO-XMSQKQJNSA-N 447.583 5.313 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc(C(F)F)c2)CC1 1823750189 AYAITLYZKWQKJX-NRFANRHFSA-N 447.570 5.245 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CSc2ccccc2)CC1 1829067558 REAXBZFQUXUMGG-QHCPKHFHSA-N 442.669 5.391 30 20 IKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)c(Cl)c1 1829957209 DONCZHLLGMLRIH-XMMPIXPASA-N 449.982 5.067 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2F)CC1 1831568668 HWTAEXBORNEUAS-QHCPKHFHSA-N 446.582 5.119 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccccc2Cl)CC1 1832029176 WGINZLYQEQHCAZ-XMMPIXPASA-N 443.031 5.086 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cc3oc(-c4ccccc4)cc3[nH]1)C2 1844357114 AVIATODRTMLVMH-UHFFFAOYSA-N 445.563 5.237 30 20 IKED C=CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1cccs1 10303480 UBJHOSWPMWCWJH-UHFFFAOYSA-N 439.591 5.047 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(F)cc2F)cc1 11249800 GLHVYBPBIPUWQB-UHFFFAOYSA-O 437.535 5.354 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccc(OC)cc1 16865034 AELLLXVANUVDRN-HNNXBMFYSA-N 442.972 5.221 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(SC)c2)nc2cc(Cl)ccc2c1=O 21831175 UGJVXLZVLCIRNR-ZDUSSCGKSA-N 445.997 5.077 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(Nc2cccc(OC)c2)s1 22362140 RIXXTFXWXDWERB-CQSZACIVSA-N 446.623 5.047 30 20 IKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 57980224 URTFHOOHSJGEOY-UHFFFAOYSA-N 440.952 5.134 30 20 IKED COC(=O)c1sc2ncc(C(=O)/C=C/c3ccc(OC)c(Br)c3)cc2c1C 58745148 OVIMVJVCSUVASH-GQCTYLIASA-N 446.322 5.059 30 20 IKED O=C(Nc1cccc(Cl)c1F)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 63665673 JSQZHWIKCYDSTQ-UHFFFAOYSA-N 445.718 5.614 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cc1 111184294 BZQLTEORZGWWND-UHFFFAOYSA-N 425.941 5.731 30 20 IKED C[C@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccc(C(F)(F)F)cc1 428949704 YHNQDGWCXBHTDW-MRXNPFEDSA-N 426.442 5.016 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(C(F)(F)F)c1F 430698432 ZIFJFASMOUQNPK-UHFFFAOYSA-N 436.352 6.121 30 20 IKED Cc1noc(C2CCC(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)CC2)n1 439838613 SNHWRFABZQTFQJ-UHFFFAOYSA-N 436.899 5.152 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1cccc(-c2cnco2)c1)c1ccc(C(F)(F)F)cc1 442032642 OJSLNNCXIQTJDC-IBGZPJMESA-N 443.425 5.123 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CN2CCCC(C)(C)[C@@H]2C#N)cs1 444731281 URZAXLVNJMBPET-SFHVURJKSA-N 436.503 5.361 30 20 IKED O=C([C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N(Cc1ccc(F)cc1)CC(F)(F)F 460451900 QVDFADFDEACKLV-CVEARBPZSA-N 435.339 5.419 30 20 IKED C[C@@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F)c1cccc(C#N)c1 462395814 VRWQHTOMDNTYPT-QRWLVFNGSA-N 437.893 5.057 30 20 IKED CS(=O)(=O)c1cccc([C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)c2ccc(F)cc2)c1 463085054 YARKOQNHXIPGLA-OAQYLSRUSA-N 448.441 5.321 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 464398535 MCNLOOUHTVIKLL-HNNXBMFYSA-N 435.402 5.074 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)nn1-c1ccc(Cl)cc1Cl 464415313 VIXDUDUQZJWOIP-ZDUSSCGKSA-N 439.224 5.391 30 20 IKED C=CCn1c(SCC(=O)N2C[C@H](C)[C@@H]2c2ccccc2)nnc1-c1ccc(Cl)cc1 464539446 CECZWDYHXDKDBC-HRAATJIYSA-N 438.984 5.096 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](CSc2ccccc2)C1 464753881 BTZBHMBHTNOMJE-MOPGFXCFSA-N 425.623 5.134 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Oc4ccccc4)ccn3)n2)cc1 466976845 LKCIZSKJJFSUIU-FQEVSTJZSA-N 427.485 5.496 30 20 IKED Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2cn(CCCC#N)c3ccccc23)C1 468978258 NYWJOTGGZMHOJN-LJQANCHMSA-N 434.971 5.163 30 20 IKED COc1ccc([C@H]2CCCC[C@@H]2Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1F 469260552 SNOCRYOYMZVVNJ-GGAORHGYSA-N 435.543 5.556 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1 471252988 KXXWSDNLYJMOQW-UHFFFAOYSA-N 427.548 5.502 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(O)nc2c(Br)cccc12 476124592 ZQAWFLXLLXFHDE-UHFFFAOYSA-N 425.326 5.807 30 20 IKED N#CC[C@@H](CC(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1ccccc1 476662120 DUYJAQBDYUUDRQ-IBGZPJMESA-N 430.379 5.162 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2OC(F)F)nnc1-c1ccc(C)cc1 481364861 DJRJCOADLWNQPI-OAHLLOKOSA-N 444.507 5.160 30 20 IKED C=CCn1c(S[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccc(C)cc1 481374193 RIUKWFPKMXSADY-OAHLLOKOSA-N 437.956 5.996 30 20 IKED N#C[C@@H](C(=O)c1sc(C2CC2)nc1-c1ccccc1)c1nc2ccccc2n1C(F)F 483440182 QHLLIVQQPOVPBY-HNNXBMFYSA-N 434.471 5.922 30 20 IKED C[C@@H](Sc1nnc(-c2cccc3ccccc23)o1)C(=O)Nc1sc2c(c1C#N)CCC2 488809826 UXABVAAZXJVHIQ-CYBMUJFWSA-N 446.557 5.431 30 20 IKED CCN(CCC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 492147898 NJTTUPODLZKKIM-MNDPQUGUSA-N 440.503 5.396 30 20 IKED CN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@H](c1ccccc1)c1ncc[nH]1 492465126 NJOMLCUKJJWWHB-HSZRJFAPSA-N 426.451 5.074 30 20 IKED N#Cc1cccc(-c2cnc(CNC(=O)[C@@H](Sc3ccccc3F)c3ccccc3)[nH]2)c1 493919873 KQTQMHJMSWJZMO-DEOSSOPVSA-N 442.519 5.237 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1C 495250979 DJSOVGIBTAYKOJ-UHFFFAOYSA-N 428.414 5.232 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3cccc(NC(=O)C4CCCCC4)c3)CC2)cc1 502644040 ZLWREBRIBRNPBL-UHFFFAOYSA-N 428.536 5.398 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2cccc3cccnc23)cc1Cl 505599000 HIUNYUJDSYMOGO-HSZRJFAPSA-N 440.934 5.908 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1 505774869 ZIRVOQVACQJLRJ-UHFFFAOYSA-N 425.875 6.318 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 507766851 PNTUQBXHVDHJNG-UHFFFAOYSA-N 446.938 5.908 30 20 IKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cccc(C#N)c1C 509599319 IQRDIGOETUYYDZ-UHFFFAOYSA-N 437.421 5.699 30 20 IKED N#Cc1ccc(CNC(=O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1 510059011 ZGFXEWDXCCWBBB-UHFFFAOYSA-N 436.587 5.147 30 20 IKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 513197182 NXXCDSYURONREP-NSHDSACASA-N 440.208 5.861 30 20 IKED CCOc1c(Cl)cc(CNCc2cccc(OCc3cccc(C#N)c3)c2)cc1OC 513613522 QFGBWNKGNOBSNL-UHFFFAOYSA-N 436.939 5.488 30 20 IKED N#C[C@H](C(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)c1nc2ccccc2s1 513660194 KHAOXFAAAAFEAA-HXUWFJFHSA-N 434.524 5.698 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 515697281 GUBDDQBXBOJGQC-UHFFFAOYSA-N 433.920 6.166 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 517743533 YQPMQGAQEUPCAE-UHFFFAOYSA-N 439.408 5.501 30 20 IKED CCCOc1c(Cl)cc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1OC 519485161 HYUXQQVJJIQPFW-HNNXBMFYSA-N 427.715 5.439 30 20 IKED COc1cc([C@H](C)NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc(OC)c1OC 520324927 USWLNGAOXDPHQE-KRWDZBQOSA-N 446.503 5.062 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)o2)cc1 520919556 REGHFOBVRVLFLT-UHFFFAOYSA-N 435.439 5.647 30 20 IKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CCCNC(=O)c1ccsc1 521458249 QQOMHXWSAFIIOO-UHFFFAOYSA-N 437.952 5.017 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2cccc3ccccc23)CC1 521748241 QNCGUYPIUZKLJM-LJQANCHMSA-N 429.589 6.503 30 20 IKED CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1 522526620 WAXIAYPTKHIUKM-JGCGQSQUSA-N 446.572 5.437 30 20 IKED CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 522539233 PGSPWRGGLXOBNT-YTTGMZPUSA-N 446.572 5.844 30 20 IKED Cn1ccnc1[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccccc1 522574390 VKNMBGHTSSDKFV-HSZRJFAPSA-N 442.906 5.257 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(CC(F)(F)F)cc2)cc1C 525108562 FLHFCAMUMJFQTO-UHFFFAOYSA-N 426.442 5.438 30 20 IKED COCCN(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccc(C#N)cc1 534167543 VFVAYEJZFYLJRV-UHFFFAOYSA-N 431.879 5.169 30 20 IKED CN1CC[C@H](CNC(=O)c2ccccc2-c2ccccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 534224297 IHOCKOITZLTOSI-KBMIEXCESA-N 447.941 5.441 30 20 IKED Cc1nc(-c2ccc([C@@H](C)NCC(=O)N(CCC#N)c3cccc(Cl)c3)cc2)cs1 540377678 ZQKBIONQXDHGNW-MRXNPFEDSA-N 438.984 5.369 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N[C@H](C)C(=O)N(CCC#N)c2ccccc2)cc1 540456008 PRVCBIJYWYOAAE-NHCUHLMSSA-N 427.548 5.348 30 20 IKED Cc1ccc([C@H](N[C@@H](C)c2ccc(C#N)c(F)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 540706474 BCXBAPXZUVXIGD-AVRWGWEMSA-N 436.552 5.158 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCC(=O)Nc1cc(Cl)ccc1C#N 541654188 IMDTUXAMHRMKDG-LBPRGKRZSA-N 428.920 5.072 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(-c2nc([C@H]3CC(=O)N(CC4CCC4)C3)no2)c1 545145602 LNCMHUWOBOEHPX-SFHVURJKSA-N 448.910 5.170 30 20 IKED O=C(NCc1ccncc1)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 547531600 AVEHLTSGEJZREW-CYBMUJFWSA-N 445.285 5.222 30 20 IKED N#CCCN(C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1ccc(F)cc1 561800032 MPDIWXKNQYHMFP-UHFFFAOYSA-N 430.508 5.326 30 20 IKED CC[C@@H](c1ccccc1OC)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 562099252 GGABQSQQWKHCAI-VWLOTQADSA-N 443.547 5.955 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NC[C@@H]3CCCO[C@@H]3c3ccccc3)cc2)ccn1 563967996 KBJXSPHGHPTUQD-YADARESESA-N 428.492 5.035 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC([C@@H](F)c2ccccc2F)CC1 567072353 WMVONVONUJHEMG-KSFYIVLOSA-N 429.536 6.175 30 20 IKED CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 582078955 MMEXOSAWYLGPRD-UHFFFAOYSA-N 435.867 5.227 30 20 IKED Cc1ccc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1OCC(F)F 588717113 QCBJJOYHEMROOM-GHMZBOCLSA-N 434.327 5.234 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3nc4ccccc4s3)cn2)c1 603693583 ZMXYOLOAEYCXQL-FQEVSTJZSA-N 441.516 5.724 30 20 IKED C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604003939 SYVFBFJDZDDTFL-KRWDZBQOSA-N 436.964 6.104 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NCc1cccc(OCc2cccc(C#N)c2)c1 604473768 AFTVHRFXCXVOGM-LJQANCHMSA-N 439.584 6.420 30 20 IKED Cc1ccc(F)cc1NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 608762763 XBRMCSDVUIEZED-UHFFFAOYSA-N 431.311 5.610 30 20 IKED CC(C)c1nc(CCNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cs1 608841857 ZWWKJAPVGAURAS-UHFFFAOYSA-N 434.565 5.276 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1ccc(Cl)s1 609079005 WDUQBHOWZKIPJL-UHFFFAOYSA-N 425.941 5.825 30 20 IKED COc1ccccc1CN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)C1CC1 609079148 MNNHQFAHHVUPHM-UHFFFAOYSA-N 441.531 5.651 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCO[C@H](c2cccc(F)c2)C1 609079443 CPXVUTBOUWZHSS-VWLOTQADSA-N 445.494 5.190 30 20 IKED Cc1ccc(S(=O)(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(Cl)c1 609107900 BMYVIBKNLWIOJJ-UHFFFAOYSA-N 430.888 5.039 30 20 IKED CCCN(C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1cc(Cl)ccc1C#N 609286173 LVJJPOVCDIRXQT-UHFFFAOYSA-N 429.854 5.521 30 20 IKED C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1nc(C(C)(C)C)cs1 609295597 BSBNSXCDMMQHOZ-OAHLLOKOSA-N 447.564 5.447 30 20 IKED CCn1c([C@@H]2CCCN2C(=O)Nc2ccccc2SC[C@@H](C)C#N)nc2ccccc21 609398400 YDPADCUBDFQJQV-UWJYYQICSA-N 433.581 5.677 30 20 IKED Cc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccc(Br)cc2n1 609428448 HJJPYUUPVJASNQ-AWEZNQCLSA-N 440.366 5.952 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)CCc2cccc(OC3CCCC3)c2)CC1 609508636 VCMNAEKQPZBDPH-UHFFFAOYSA-N 432.564 5.319 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)cc1C 609912605 CSUJJCCLHHWRNA-DENIHFKCSA-N 430.527 5.238 30 20 IKED C[C@@H](NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1cccc(C#N)c1 610363591 MFEMIHSZYLZKGQ-OAHLLOKOSA-N 448.320 5.064 30 20 IKED Cc1ccc2nc(COc3ccccc3C(=O)[C@H](C#N)c3ccc4ccccc4n3)cn2c1 613292482 LLTAYYFDKFKJDX-JOCHJYFZSA-N 432.483 5.260 30 20 IKED N#C[C@H](C(=O)c1nccnc1-c1nc2ccccc2s1)c1nc2cc(Cl)ccc2s1 613407418 SJBCQDGCCGLGIR-GFCCVEGCSA-N 447.932 5.506 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC 615972099 ZFYLFNZBLYEMBL-UHFFFAOYSA-N 444.963 5.064 30 20 IKED C=CCCOCC(=O)N(C[C@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 620326474 BESJIZZMOSZAHK-OAHLLOKOSA-N 441.380 5.222 30 20 IKED O=C(c1cc(Cl)ccc1OC(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 673989036 SEPAHFKZLNKFEJ-OCAPTIKFSA-N 425.703 5.144 30 20 IKED Cc1nc(-c2ccco2)ccc1C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 726230134 BRBXITWLMDSTFF-HNNXBMFYSA-N 449.532 5.036 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccc(Cl)c(Cl)c3)n2)cc1 726325579 RAJKMDSSXKDJER-INIZCTEOSA-N 426.328 5.798 30 20 IKED C#Cc1cccc(NC(=S)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)c1 726483178 OPPAHQFDTAGFIF-UHFFFAOYSA-N 445.975 5.610 30 20 IKED Clc1cccc(Cl)c1-c1nnc(CON=Cc2ccccc2Br)o1 726594513 MNSQIQIRRRDUJI-UHFFFAOYSA-N 427.085 5.357 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)cc1 726940774 RJYMTYSLTHRCTG-UHFFFAOYSA-N 437.341 5.121 30 20 IKED CC(C)(C)OC(=O)NC1(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCCC1 727136498 OTOPFMJWDMVPHQ-UHFFFAOYSA-N 449.551 5.108 30 20 IKED CC(C)COC(=O)Nc1cccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1 727991042 GSYBHXWYBFDKCQ-UHFFFAOYSA-N 433.464 5.187 30 20 IKED CSc1cccc(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 728298546 WQHWTALTDPWHGF-MRXNPFEDSA-N 435.524 5.437 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccccc3)s2)n(-c2ccccc2)c1C 729938980 DXPSUQFARMBFNG-UHFFFAOYSA-N 445.573 5.215 30 20 IKED N#Cc1ccccc1/C=C\C(=O)O[C@@H](c1cc(Br)ccc1F)C(F)(F)F 730403259 ZWLFXRHORPCHGM-AFCDSYGPSA-N 428.179 5.320 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1sccc1SC(F)F 730474880 SGXYVONWJIVEAT-BQBZGAKWSA-N 427.382 5.702 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 732900515 QMVKUIDOZBHCKY-OAQYLSRUSA-N 448.469 5.843 30 20 IKED FC(F)Oc1ccc(Cl)cc1C=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1 733080696 XCDDJOCHVXRHAC-UHFFFAOYSA-N 443.763 5.258 30 20 IKED C=CCN(C(=O)c1cnc(OC)nc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 733910345 IMZPCUKHUZFMFK-UHFFFAOYSA-N 428.517 5.109 30 20 IKED C=CC[C@H](NC(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C)c1ccncc1 734233963 CUBVSNVMSJCQEW-QHCPKHFHSA-N 425.536 5.430 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)Cc3ccc(NC(=O)c4cc5ccccc5o4)cc3)[nH]c12 735790426 XZICSIAJYYCLPG-FQEVSTJZSA-N 448.482 5.289 30 20 IKED COCCN(C(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12)c1ccc(C#N)cc1 741738950 RRKKMVRLESUSGH-UHFFFAOYSA-N 437.499 5.075 30 20 IKED C#CCN1CCC(C(=O)Nc2ccc(-c3nc4ccc(F)cc4n3C(C)C)cc2C)CC1 741971202 QGAPUASMVOSUTN-UHFFFAOYSA-N 432.543 5.015 30 20 IKED COc1ccc(CSCC(=O)Nc2cc(Cl)ccc2C#N)cc1SC(F)(F)F 742971589 TULRWKXHBQOAQL-UHFFFAOYSA-N 446.903 5.704 30 20 IKED Cc1cccc(C2(O)CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)c1C 743093147 MZUUEIYRKNRHDN-RUZDIDTESA-N 439.559 5.474 30 20 IKED CCCCCCNC(=O)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 743875901 SMGADILDOXLINI-UHFFFAOYSA-N 433.430 5.004 30 20 IKED COc1cc([C@H]2NC(=O)N(CC3CC3)C(c3ccc(F)cc3)=C2C(C)=O)ccc1SC 746511135 BKXRIZFBJMMJEG-JOCHJYFZSA-N 440.540 5.033 30 20 IKED COC(=O)C[C@H]1CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)c2ccccc21 748323537 KYRRIEQRIOVLCT-IBGZPJMESA-N 428.513 5.017 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc23)c1 749994391 BRXSNSPNYABQCL-QAPCUYQASA-N 439.968 5.366 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=S)Nc2ccccc2-c2ccccc2)cc1 751003143 BGHKYUSCIJVCGW-UHFFFAOYSA-N 427.573 5.977 30 20 IKED COc1ccc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1-c1ccccn1 754885191 SLFTVOXGJDJWOP-UHFFFAOYSA-N 425.513 5.287 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](c3ccccc3)N3CCSCC3)n2)cc1 755612140 MIBMLMHLFFIGTJ-IRLDBZIGSA-N 433.602 5.085 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccnc2Br)cc1Cl 758175501 IOBKHXZGWGBBPD-KRWDZBQOSA-N 426.701 5.405 30 20 IKED Cn1cc(-c2nc(CNc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)cs2)cn1 760456471 VCGVCSPQERYHBO-UHFFFAOYSA-N 435.940 5.260 30 20 IKED COc1cc(C#N)ccc1NC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 766644296 KTDYHZSDNDBJQD-YADARESESA-N 445.544 5.060 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc4ccccc4c3)o2)cc1 768460502 DBEKFOWDSIBBQK-INIZCTEOSA-N 431.517 5.574 30 20 IKED COCCc1nc(C)c(C(C)=NNc2ncnc3scc(-c4ccc(F)cc4)c23)s1 770596476 NPRYMXKKHKGNNP-UHFFFAOYSA-N 441.557 5.287 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2ccc3ccc(Br)cc3n2)S1 771519406 CWXGPEYQECJHRP-WOJGMQOQSA-N 438.350 5.506 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 772148665 SHLNKHJHDFSXFN-XMMPIXPASA-N 441.531 5.870 30 20 IKED C=CCn1c(-c2ccccc2C)nn(CN2CC=C(c3ccc(Cl)nc3)CC2)c1=S 773259107 LINAPRDTQWQMJL-UHFFFAOYSA-N 438.000 5.371 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 773275993 PUKHBAGKIMKFAJ-PBEJRMEISA-N 427.545 5.340 30 20 IKED CCCN(C(=O)Cc1ccc(OCC#N)cc1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 776967011 SGVWUSBQYPIANR-SANMLTNESA-N 431.511 5.002 30 20 IKED C=CC[C@@H](OC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)c1ccccc1 778739879 TVGVPKULNDWKPE-RTBURBONSA-N 447.318 5.059 30 20 IKED N#C[C@H](C(=O)Cn1c(-c2cscn2)nc2ccccc21)c1nc2cc(Cl)ccc2s1 780315841 ZVRWLOOQPLAHFB-CYBMUJFWSA-N 449.948 5.299 30 20 IKED Cc1nc2c(s1)[C@H](NC(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)CCC2 780496871 RMSRXWXAHBPGHW-JOCHJYFZSA-N 432.549 5.296 30 20 IKED C[C@H](OC(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1)C(=O)Nc1ccccc1C#N 785875723 KIDDMKQQZIAIFC-AOMKIAJQSA-N 434.492 5.101 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c2ccccc2n1 787050738 LQCOLQDTRKSALR-UGSOOPFHSA-N 426.303 5.050 30 20 IKED Cc1ccc(C(=O)N[C@H](CC(=O)[C@@H](C#N)c2nccc3ccccc23)c2ccccc2)cc1 792093057 HHCNXRYLDUQYQQ-JWQCQUIFSA-N 433.511 5.281 30 20 IKED CCN(C(C)=O)c1nc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cs1 796989524 GJQDVSCGALJEAG-AQTBWJFISA-N 433.558 5.549 30 20 IKED N#CC1(CCCOC(=O)[C@@H](Oc2cccc(Cl)c2Cl)c2ccccc2)CCOCC1 800163943 VNKUXXFQNZNEFK-NRFANRHFSA-N 448.346 5.757 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(C)(C)Sc1ccc(Br)cc1 804460321 IXJRNLUXEFSHLV-UHFFFAOYSA-N 438.387 5.010 30 20 IKED N#CCCC[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccccc1 817318535 CJBYIJRFUUUNCL-HNNXBMFYSA-N 436.693 5.176 30 20 IKED Fc1ccc(OCc2nnc(S)n2N=Cc2ccc(-c3ccccc3Cl)o2)cc1 839415165 CZSYEISZAHIUJD-UHFFFAOYSA-N 428.876 5.081 30 20 IKED CC(C)N(C(=O)COC(=O)c1ccccc1CC#N)c1ccc(Nc2ccccc2)cc1 849210949 QLUXSVSCIVKQLP-UHFFFAOYSA-N 427.504 5.095 30 20 IKED N#Cc1ccc(OCc2nc(-c3ccc(Oc4ccccc4)nc3)no2)cc1Br 904447640 ZBDMQHOXJUFMNZ-UHFFFAOYSA-N 449.264 5.137 30 20 IKED N#C[C@H](C(=O)[C@H]1Cc2ccccc2C(=O)O1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103575 YKLBDIGLRKCSNH-CRAIPNDOSA-N 443.311 5.075 30 20 IKED CCOc1cc2c(cc1CNC(=O)Nc1ccc([C@@H](C#N)c3ccccc3)cc1)O[C@@H](C)C2 915352843 NWTWZYBZMPXDMK-UUOWRZLLSA-N 441.531 5.386 30 20 IKED CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915353914 ZJDXCSWGYCCWPE-AREMUKBSSA-N 426.564 5.852 30 20 IKED Clc1ccc(CSc2nncn2N=Cc2ccc(-c3ccccc3Cl)o2)cc1 916546574 ZHBYYMKWFDYHQY-UHFFFAOYSA-N 429.332 6.019 30 20 IKED CC(C)c1cccc(O[C@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1 916887903 OWLFUHPDBNQENF-KUHUBIRLSA-N 432.492 5.240 30 20 IKED C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917046449 KBNCTPWCTPEZIG-JOYOIKCWSA-N 425.724 5.900 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3cccc4ccccc34)n2)cc1 920138812 KEXISPJNWIPYAL-QFIPXVFZSA-N 442.540 6.007 30 20 IKED COc1ccc(OCc2nc(/C=C\C(=O)c3cnn(-c4ccc(F)cc4)c3C)cs2)cc1 920991198 CWDANOIQONAJKC-XGICHPGQSA-N 449.507 5.260 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)Cc3ccc(Cl)c(F)c3)cc2)CCC1 1785995126 SKIFDGFVYIYBMK-UHFFFAOYSA-N 446.975 5.075 30 20 IKED Cc1occc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1787366533 WPZDMQJSCGQEJQ-KRWDZBQOSA-N 427.504 5.277 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(-c4cnccn4)c3)CCC2)cc1 1791248814 FOAVXPGMWQFCTF-IBGZPJMESA-N 440.547 5.104 30 20 IKED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccccc4)cc2)C3)c1 1800767154 CLHATVIAPZWASN-LGKQTMLJSA-N 449.554 5.099 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/C2CCCCC2)[C@@H]1c1cccnc1 1808524355 RCUKBTDTAPLDIT-HPRXZKPJSA-N 437.628 5.216 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C3CC3)cc2)[C@@H]1c1cccnc1 1811835843 XRVICHJDXGQBJJ-UIOOFZCWSA-N 443.591 5.047 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccccc2Cl)n[nH]1 1816904398 VEZFSCXMLTVAFL-RXVVDRJESA-N 440.975 5.066 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cccc(C)c3[nH]2)n[nH]1 1819022406 WTGRIPOUUBLVBI-QFIPXVFZSA-N 445.567 5.274 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(F)c(F)c2C)[nH]n1 1819311288 UEOARPGFVLAMAH-OXJNMPFZSA-N 442.510 5.071 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC2CCC(C)(C)CC2)n[nH]1 1820979696 TXBSDXLPCNIABG-OAQYLSRUSA-N 426.605 5.202 30 20 IKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)[nH]n1 1821986243 CFOGHRCKBSFVLD-MLYOOKFZSA-N 448.558 5.220 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3occc3c2)CC1 1828827981 AWJGQZWEMABJIT-BJKOFHAPSA-N 434.580 5.435 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3ccoc3c2)CC1 1829067602 SIHSUOACYYVADW-QFIPXVFZSA-N 437.584 5.054 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)c1[nH]c3ccoc3c1-c1ccccc1)C2 1841057638 JLVPINQYGJBWJW-UHFFFAOYSA-N 445.563 5.237 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)(C)C)cc1)=C(/S)Nc1ccccc1C 11166944 RUWNCBLUSCSFJV-UHFFFAOYSA-O 431.625 6.193 30 20 IKED N#Cc1cccc(NC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)c1 15644253 JLJZPJIIJVZQFI-PDGQHHTCSA-N 440.484 5.646 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(C)ccc2C)nnc1-c1ccc(Cl)cc1 16862732 RTKZHKGAHLBQAH-INIZCTEOSA-N 426.973 5.521 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1-c1ccccc1OC 17709116 BPWWMPAVWXQIQZ-INIZCTEOSA-N 433.537 5.351 30 20 IKED CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H]1c1ccccc1OC 25440100 MXMWCOXLWTWHDJ-DHLKQENFSA-N 447.579 5.215 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)nnc1-c1ccco1 28503998 AGSBCVBBWKCKBV-DLBZAZTESA-N 432.549 5.235 30 20 IKED C=CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)C2)nnc1-c1ccc(Cl)cc1Cl 33182501 JCUZFHBEQXYITI-DZGCQCFKSA-N 439.412 5.225 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCc2csc(COc3ccc(F)cc3)n2)n1 39525118 ZGAVPCLWGYFMEA-UHFFFAOYSA-N 439.459 5.747 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 61188669 CUDADGRKHLWBCD-UHFFFAOYSA-N 442.397 5.086 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1OC(C)C 64714391 UJFKRXJFOPUEDO-CQSZACIVSA-N 428.460 5.374 30 20 IKED C=CCc1cc(CNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc(OC)c1OC 65175240 NSORVSRDYBVMPT-UHFFFAOYSA-N 445.519 5.006 30 20 IKED Cc1ccc(C(=O)Nc2cccc(OCCCC#N)c2)cc1NC(=O)c1ccccc1F 108294499 OMTCCMVXAHWXSU-UHFFFAOYSA-N 431.467 5.321 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCc2csc3ccccc23)cc1 195683175 JQHRSLWYGAESDX-UHFFFAOYSA-N 428.582 6.038 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NC2(c3cccc(Cl)c3)CC2)cc1 303909846 RNECJZZRYNXELE-UHFFFAOYSA-N 431.923 5.796 30 20 IKED C[C@H](NC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1nc(C(F)(F)F)cs1 426239607 STBPJJWVLBMAPM-GZMMTYOYSA-N 429.361 5.355 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Cl)cc1Nc1ccc(F)cc1 426375159 ZZMXZIMFIZRPIR-UHFFFAOYSA-N 438.890 5.383 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3[nH]c4ccccc4c3Br)cc2)ccn1 427037662 IASPHPCNKMIASQ-UHFFFAOYSA-N 433.265 5.242 30 20 IKED CCC(C)(C)OCc1cccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1C 428769031 WMDGDAKZQRZPFB-UHFFFAOYSA-N 435.568 5.647 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 431214870 YAMGWZIUWISILV-WGSAOQKQSA-N 442.332 5.104 30 20 IKED CN(C[C@H](O)Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 432773034 ZBXDFXYYYGSCBF-HXUWFJFHSA-N 435.911 5.071 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H]3C[C@H](c4cccc(Cl)c4)C3)cc2)c1 437046651 XPSVKLUWNNQISQ-XGAFWQRZSA-N 445.906 5.005 30 20 IKED Cc1cccc([C@H]2CCCN2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1C 437806297 QXYBLYJDEXEEBR-HXUWFJFHSA-N 449.605 5.688 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(C1CC1)[C@H](C)c1cccc(C(F)(F)F)c1 438080479 XKZXLUZOONILRD-HZPDHXFCSA-N 447.526 6.715 30 20 IKED CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)N[C@@H](CCC#N)c1ccccc1 438843772 WOSQHXFDOLIHAF-SFHVURJKSA-N 433.339 5.008 30 20 IKED N#C[C@H](C(=O)c1ccc(C(F)(F)F)c(F)c1)c1nc(-c2c(F)cccc2F)cs1 439643936 HDQPWACIKGWYFA-SNVBAGLBSA-N 426.341 5.736 30 20 IKED Cc1nc(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2)cs1 442513126 SRPULCNKUIPAJO-OAHLLOKOSA-N 437.496 6.010 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(CN(C)C(=O)C(C)C)cc3)n2)cc1 442686491 WSKDWSDBXXMEPE-NRFANRHFSA-N 431.561 5.223 30 20 IKED CC(C)(C)[C@@H]1CN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c2ccccc21 443870519 SWCRYHJENWRLJR-LJQANCHMSA-N 444.535 5.199 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1ccc(C(F)(F)F)cn1 444457668 CESQXCKQRFRHTL-CYBMUJFWSA-N 440.299 5.749 30 20 IKED N#CC(CCN1CCC(C(=O)NC2CCCCC2)CC1)(c1ccccc1)c1ccccc1 444651149 GCBZSDSPLCBZKN-UHFFFAOYSA-N 429.608 5.047 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)Nc1ccc(OC(C)C)cc1 446864847 GSTAEKJWNQVLCP-UHFFFAOYSA-N 429.476 5.023 30 20 IKED COc1ccc(CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)c2ccncc2)cc1 460370519 MERRVMRZGWUMCU-UHFFFAOYSA-N 449.510 5.388 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)CCCc3csc4ccccc34)ccc21 469950393 MASKYPBEYOEGTA-UHFFFAOYSA-N 431.561 5.446 30 20 IKED CCCn1ccnc1CCCN(C)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 469967508 YBZYEXDKANYGNT-UHFFFAOYSA-N 436.943 5.315 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 475556213 PKZFBTFRXMQDGW-QHCPKHFHSA-N 444.579 6.738 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 475563451 CCWYCPWJWMXOIQ-UHFFFAOYSA-N 444.497 6.083 30 20 IKED OC[C@H](NCc1ccc(OCC(F)(F)F)c(F)c1)c1ccc(Cl)cc1C(F)(F)F 475632418 FMKYBUXTTLEYCU-HNNXBMFYSA-N 445.762 5.262 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 476138109 HGFIIJZBWCAPBM-IBGZPJMESA-N 440.971 5.058 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2c(F)cc(F)cc2F)nc2sc(C)c(C)c2c1=O 476706206 JGKWPOFGDPFBFX-LLVKDONJSA-N 438.496 5.042 30 20 IKED Cc1nc(SCC(=O)N2CCCC[C@@H]2c2ncc(-c3ccccc3)[nH]2)c(C#N)c(C)c1C 476915444 LJLLCERJJPANOR-JOCHJYFZSA-N 445.592 5.115 30 20 IKED CCCN(CC)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cn1 478551528 YZLLHEBTXQGYJW-OAHLLOKOSA-N 426.492 5.210 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)CCSc3ccc4c(c3)OCCCO4)c2C#N)C1 480026135 NIUVZOSRBLRBFP-AWEZNQCLSA-N 428.579 5.027 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccccc2OC2CCCC2)nnc1-c1ccco1 480532606 XJBMXGOEDZMUSN-UHFFFAOYSA-N 438.553 5.166 30 20 IKED CCN(CCOC)C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 481436426 FIDSYRQREJXNTD-GFCCVEGCSA-N 440.306 5.006 30 20 IKED C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1c(F)cccc1F 481576449 USUVWIHLWSRSQD-AWEZNQCLSA-N 425.410 5.437 30 20 IKED O=C(N[C@@H](CC(F)(F)F)c1ccccc1)N[C@H](c1c(F)cccc1F)C(F)(F)F 482408812 CVBFUPFRSAXQSS-DZGCQCFKSA-N 426.307 5.561 30 20 IKED C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482429377 XCZZVDMUACOVAM-WQAKAFBOSA-N 434.327 5.264 30 20 IKED CCCc1c(NC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)cnn1-c1cccc(C#N)c1 484676071 FSZLXWHXRYYUDY-LJQANCHMSA-N 433.478 5.139 30 20 IKED COc1ccc(C(=O)C2CCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC2)cc1 484798036 ZHBAIMLZJBWDAH-UHFFFAOYSA-N 440.499 5.094 30 20 IKED O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1cc2ccccc2n1CC(F)(F)F 486183389 ALWACXSAXHFGHO-UHFFFAOYSA-N 434.311 5.536 30 20 IKED Cc1cc(C)c(-c2nnc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)o2)c(C)c1 488811186 BTUFQNHPOSXIJA-CQSZACIVSA-N 438.578 5.203 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H]2CCO[C@@H]2c2ccccc2)cc1F 489828574 GZRLWWINMAKABH-YADARESESA-N 431.467 5.389 30 20 IKED Cn1nc(-c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc(F)cc1C(F)(F)F 490029221 XJNXORAOGKEZHS-UHFFFAOYSA-N 431.311 5.516 30 20 IKED COc1ccc([C@H](NC(=O)NCC(C)(C)CCC#N)c2ccccc2Cl)c(OC)c1 498355072 OSLTVAIPELDQJU-OAQYLSRUSA-N 429.948 5.076 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)cc1 498882623 ZPPWEIZBOVHFJM-AREMUKBSSA-N 437.474 5.191 30 20 IKED N#Cc1cccc(OCCCCC(=O)N(Cc2csc(Br)c2)C2CC2)c1 500896307 XRBINIGTQDSMML-UHFFFAOYSA-N 433.371 5.123 30 20 IKED N#CCCN(Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)Cc1ccco1 505757578 SXUVANCFLIHYJQ-UHFFFAOYSA-N 428.319 5.755 30 20 IKED N#C[C@@H](NC(=O)c1ccccc1CSc1nc2ccccc2o1)c1ccc(Cl)cc1 505808865 JQIVNHFBRQKLMH-HXUWFJFHSA-N 433.920 5.768 30 20 IKED N#C[C@@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1)c1cccc(C(F)(F)F)c1 505949806 WVNWYOFKWNTAJZ-MRXNPFEDSA-N 444.438 5.406 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2occc2CSc2ccccc2)cc1 508141461 HYEVNFZVERMKPZ-UHFFFAOYSA-N 432.545 5.638 30 20 IKED N#CC1CCC(CNC(=O)c2cc3cc(Br)cc(Br)c3o2)CC1 508349064 MXDJIESAKMHHFL-UHFFFAOYSA-N 440.135 5.018 30 20 IKED Cc1cccc(-n2c(S[C@H](C)C(=O)NC3(C#N)CCCCC3)nnc2-c2ccccc2)c1 510432063 XCPPKVQCHVHRAY-LJQANCHMSA-N 445.592 5.066 30 20 IKED CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 510674241 HUVUJVKWEUXMBZ-UHFFFAOYSA-N 432.499 5.085 30 20 IKED N#CCCn1cc(CNc2cccc(COc3ccc(F)cc3)c2)c(-c2ccncc2)n1 512557039 KNXAUOVMUNICIM-UHFFFAOYSA-N 427.483 5.189 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 513405030 QRGLZMMWWYITOD-UHFFFAOYSA-N 442.522 5.553 30 20 IKED Cn1c([C@H](C#N)C(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)nc2ccccc21 513664864 AHNNIARNBFVCGV-QGZVFWFLSA-N 441.878 5.162 30 20 IKED C=CCn1c(SCc2nc(COc3cc(C)cc(C)c3)no2)nnc1-c1ccccc1C 513817563 KDISZVCMTCHFMX-UHFFFAOYSA-N 447.564 5.311 30 20 IKED C=CCN(C(=O)CCCOc1ccc(C#N)cc1OC)c1nc(-c2ccccc2)cs1 514424480 JPSLZAPMZNDUHE-UHFFFAOYSA-N 433.533 5.069 30 20 IKED C=CCn1c(SCc2cccc(C(=O)NCc3ccco3)c2)nnc1-c1ccc(F)cc1 515430979 FZXJCHIXIZQXNJ-UHFFFAOYSA-N 448.523 5.086 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2cnco2)cc1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 516465522 UYDFSBRDEURFBE-ILGMOKPNSA-N 429.545 5.756 30 20 IKED C=CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 517627574 VUUFVBCJIYIZGP-IERDGZPVSA-N 427.474 5.056 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 518754459 MSFULNGNHVPVFL-SFHVURJKSA-N 443.572 6.004 30 20 IKED Cc1nc(-c2ccc([C@H](C)NC(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)cs1 520195863 OOVJDGLVKLKINK-HOTGVXAUSA-N 436.606 6.396 30 20 IKED CCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@@H]1CCOC(C)(C)C1 520460881 PYJJLRXEMJEBLP-HXUWFJFHSA-N 425.504 5.088 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccc3ccccc3n2)cc1Cl 521071916 FJNYXZKAWFGEGL-HSZRJFAPSA-N 440.934 5.908 30 20 IKED C=CCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1OC 521262664 QFQZILGMVKBAHO-AWEZNQCLSA-N 426.444 5.152 30 20 IKED CN(Cc1nccn1CC(F)(F)F)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 522633845 BIVAXFMVIHCRLF-UHFFFAOYSA-N 448.832 5.035 30 20 IKED Cc1nc(NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)sc1SCC#N 523726720 BULJIWXIUDMEFI-UHFFFAOYSA-N 441.763 5.217 30 20 IKED COc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 524600119 AOETZGGTZBUXBO-HXUWFJFHSA-N 445.494 5.306 30 20 IKED Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)COc1ccc(C#N)cc1 524653100 NNOCEYLPUUEAGO-UHFFFAOYSA-N 442.494 5.621 30 20 IKED C=C[C@H](CC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)c1ccccc1 534008835 AAPIQBSPADHNPP-OAHLLOKOSA-N 428.410 5.849 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cnc(-c3cccnc3)s2)cc1 534174227 JUWAUGHJZDDCFC-UHFFFAOYSA-N 426.501 5.102 30 20 IKED CCN(C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccc(C#N)c(Cl)c1 539174295 YTFVXFPYCGUONR-UHFFFAOYSA-N 444.343 5.846 30 20 IKED C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(-c2cccnc2)cc1 540432926 IZTFDUYXZASHFQ-QGZVFWFLSA-N 430.577 5.240 30 20 IKED C[C@H](NC(=O)N[C@@H]1CCOC2(CCSCC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 542079136 WTHSRHYRQNSVGC-FDDCHVKYSA-N 435.593 5.030 30 20 IKED N#Cc1ccc(Cl)c(C(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)c1 552367475 VSHFAEONIODAEU-QGZVFWFLSA-N 426.948 5.127 30 20 IKED CCSc1ccc(Cl)cc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 554440362 MJSAFPKEGKJDNV-UHFFFAOYSA-N 433.936 5.538 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)C3(c4ccccc4Br)CC3)cc2)ccn1 555119928 SCPLDIFWZONMGI-UHFFFAOYSA-N 434.293 5.178 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 555241874 AAZOJVWKLYWZLI-LLGFUMIMSA-N 442.560 5.161 30 20 IKED N#C[C@@H](C(=O)c1ccccc1Oc1ccncc1)c1nc(-c2ccc(Cl)cc2)cs1 560985451 DGUABSYFMMPCPY-IBGZPJMESA-N 431.904 6.141 30 20 IKED CSCC[C@](C)(C#N)NC(=O)c1oc2ccccc2c1CSc1ccccc1Cl 561813036 DSDVDCSWNINJGW-JOCHJYFZSA-N 445.009 6.144 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N[C@@H](c3c(F)cccc3F)C(F)(F)F)cc2)ccn1 570439886 VHPJDDMAGOOLSU-IBGZPJMESA-N 448.351 5.449 30 20 IKED Cc1csc(Sc2ccc(NC(=O)N(C)CCOCc3ccc(C#N)cc3)cc2)n1 577915172 TURMIGZOKPTAKN-UHFFFAOYSA-N 438.578 5.155 30 20 IKED C=CCN(C(=O)CSC[C@@H]1CCCO1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 579032040 ZSCYLNCFDDIMOH-AWEZNQCLSA-N 443.421 5.548 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)ccc1OC(C)C 579413239 LDKRPJWCBZDJCA-KRWDZBQOSA-N 446.507 5.424 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@]2(CO)C[C@@H]2c2ccccc2)cc1Cl 582575428 YOQJNSJZLIUIEX-JQYIIUTOSA-N 445.950 5.283 30 20 IKED CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)NCC(C)(C)CCC#N)ccc1Cl 588237230 MRRGUGKKCAUBHV-UHFFFAOYSA-N 440.975 5.454 30 20 IKED N#C[C@H](C(=O)c1cc2ccccc2n1Cc1ccccc1F)c1nc2cc(F)ccc2s1 592973178 AGXMNYJZIRKVSD-GOSISDBHSA-N 443.478 6.068 30 20 IKED Cc1nc(COc2ccccc2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cs1 602230680 ZCMQMFYJHLFERI-UHFFFAOYSA-N 446.557 5.202 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 603527347 KWVYGHPIWMLDDZ-DEOSSOPVSA-N 439.559 5.001 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604085681 MRGICGHGBCNREG-UHFFFAOYSA-N 429.495 5.691 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccccc2SCc2ccco2)cc1 604331270 WTDYVDNCVJDRMX-UHFFFAOYSA-N 426.497 6.488 30 20 IKED O=C(Nc1ncc(Cc2cccc(F)c2)s1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 605010532 XWXJIVUGMUIBCN-UHFFFAOYSA-N 441.372 5.222 30 20 IKED O=C(c1cc(C2CC2)nc2ccc(F)cc12)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 608116685 FVNSMGSOMDAPDB-VXGBXAGGSA-N 434.355 5.454 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 609079325 WMXVXESTZMGBNO-SFHVURJKSA-N 433.939 6.324 30 20 IKED CCCNC(=O)Nc1ccc(CC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 609176173 ARLPGIFWHHZOLZ-UHFFFAOYSA-N 428.492 5.063 30 20 IKED Cc1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1NC(=O)c1ccccc1 609177060 GVVCQAXZTPVUEZ-UHFFFAOYSA-N 447.494 6.164 30 20 IKED N#Cc1ccc(CNC(=O)C(=O)Nc2ccccc2-c2ccc(-c3ccccc3)cc2)cc1 609341605 WHXUPFUFFDUFQY-UHFFFAOYSA-N 431.495 5.147 30 20 IKED COc1cc(CCC(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)ccc1OCC(F)(F)F 609415340 VUSPVPFSWYNKAZ-LJQANCHMSA-N 448.485 5.247 30 20 IKED COc1ccc(CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[C@@H](C)C2CC2)cc1 609422542 YNNDZGPMSLFWJR-SFHVURJKSA-N 442.519 5.587 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(Oc2ccc(F)cc2F)CC1 609438643 NBUNRBIFSYGSGE-HNNXBMFYSA-N 431.508 5.434 30 20 IKED C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c2cc(Cl)ccc2S1 609501590 ZPQZDZCAGYIEPN-OAHLLOKOSA-N 435.936 5.930 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NCCOc3ccccc3-c3ccccc3)cc2)nc1 609502113 GJSBYLLNDYKJDZ-UHFFFAOYSA-N 435.483 5.221 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N(Cc2ccco2)c2ccccn2)c1 609727744 WKCKPGJHIILKRB-UHFFFAOYSA-N 429.863 5.839 30 20 IKED C[C@H]1CN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C[C@H](c2ccccc2)O1 609731026 ODMZZHHRSKIVGW-BXKMTCNYSA-N 432.907 5.606 30 20 IKED C[C@H](CCC(C)(C)C)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609948132 BTZCRRZWKYGRSI-OXQOHEQNSA-N 425.960 5.265 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2csc(-c3ccoc3)n2)cc1 609970105 VKCURKXCPKMAHM-UHFFFAOYSA-N 431.473 5.257 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC2(c3cccc(Cl)c3)CC2)cc1C 610068705 ROLJPEPGNRCBJW-UHFFFAOYSA-N 432.955 5.196 30 20 IKED CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC(c2nc(-c3ccccc3)cs2)CC1 610805869 GXEYSXWSCPSFFA-UHFFFAOYSA-N 431.561 5.245 30 20 IKED Cc1ccc([C@@H](C)c2noc(C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n2)cc1 612929006 MWWWFLSQTDHEKG-MRXNPFEDSA-N 429.480 5.034 30 20 IKED COCc1c(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)sc2cccc(F)c12 618301520 RIYXHXCNVSUTON-AOOOYVTPSA-N 443.384 5.390 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1NC(=O)c1ccco1 642281771 QCZFKIYUUCCQNR-SFHVURJKSA-N 427.485 5.454 30 20 IKED COc1cc(C=NOCc2nnc(-c3c(Cl)cccc3Cl)o2)ccc1OC(C)C 726595094 UDMQCQURJQMBGG-UHFFFAOYSA-N 436.295 5.390 30 20 IKED CC(=O)N(c1ccccc1)c1nc(C=NNC(=S)Nc2ccccc2C(C)C)cs1 727061904 PYDZPEDUCXQJRL-UHFFFAOYSA-N 437.594 5.272 30 20 IKED C#Cc1cccc(N(CC)C(=O)c2ccc(C(=O)N(CC)c3cccc(C#C)c3)s2)c1 728479038 CTUMPVLHRYWFBW-UHFFFAOYSA-N 426.541 5.044 30 20 IKED C=CCn1c(-c2ccco2)nn(CNC2(c3cccc(Br)c3)CCC2)c1=S 728708458 INYGJWZMVHYHRQ-UHFFFAOYSA-N 445.386 5.249 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2c(Cl)cccc2s1 731065725 MMUXDVGSZGGUGP-CYBMUJFWSA-N 444.965 5.602 30 20 IKED CC(C)(C)n1cc(C=Nn2c(S)nnc2-c2cccs2)c(-c2ccccc2Cl)n1 731150637 FFBVJOSEXLKQQZ-UHFFFAOYSA-N 443.001 5.449 30 20 IKED Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(C)C 732706900 TYSQNHSMCZYHEY-LOSJGSFVSA-N 425.532 5.103 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)ccc1OC 733647054 VFPSIWDONUNALS-INIZCTEOSA-N 448.350 5.171 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc(C)c1OCc1cccnc1 733679002 RKCBBBXWYAONFT-XMMPIXPASA-N 449.510 5.392 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](COc2ccccc2F)c2ccccc2)c1 733847337 CUJWQKWAANEULZ-XUZZJYLKSA-N 447.510 5.126 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740453183 ARUYTENGTLPYMF-MRXNPFEDSA-N 432.574 5.860 30 20 IKED CCC(=NNc1nc2ccccc2c(=O)n1-c1ccc(C(C)C)cc1)c1c(C)nn(C)c1C 741847142 GSQPLOJTKVHJJI-UHFFFAOYSA-N 442.567 5.086 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 743431131 RKFNTXCEGIIAPN-UHFFFAOYSA-N 438.483 5.278 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)N1CCSc2ccccc21 743475856 YZSBVVPUTUSXPC-QGZVFWFLSA-N 447.535 5.216 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)N[C@@H](CCC#N)c3ccccc3)ccc21 748602289 MGZMLBYXZHHDFJ-NRFANRHFSA-N 434.540 5.541 30 20 IKED Cc1ccsc1[C@@H](Cc1ccccc1)NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N 754361819 XUJYFJVVKNYJOM-IFMALSPDSA-N 438.556 5.167 30 20 IKED C[C@@H](C#N)CN(C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F)C1CC1 754436701 YQDPKYVEKMMNGY-LBPRGKRZSA-N 426.439 5.208 30 20 IKED N#Cc1cc(F)c(C(=O)O[C@H](c2cc(Br)ccc2F)C(F)(F)F)c(F)c1 755378369 GDUYVFYYJQNLSR-CQSZACIVSA-N 438.121 5.198 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)C(F)(F)c2c(F)cccc2F)cc1 756938079 KHMGDKPOVCQJSJ-UHFFFAOYSA-N 428.385 5.340 30 20 IKED C=CCn1c(-c2cccc(OC)c2)nn(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1=S 765047407 NFPRCZFNPLQGIV-XZOQPEGZSA-N 445.592 5.005 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccc(Br)cc1 769943846 BMGCFRATFWEKAJ-IUODEOHRSA-N 432.268 5.564 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cccc2c1ccn2CC(C)C 774041928 CYIBDTNUBLGOHH-SFHVURJKSA-N 437.927 5.229 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COc1c(C=O)cc(Cl)c2ccccc12 774663010 KCHNPCOTIWCCIH-HNNXBMFYSA-N 438.936 5.575 30 20 IKED CC(C)(C)C[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)c1ccc(Cl)cc1 775454233 IEDMMINONUTPDI-FPOVZHCZSA-N 432.955 5.644 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)c1ccccc1 777311362 IVEOTQBKARRKTO-IRXDYDNUSA-N 439.512 5.268 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1 778297814 LXWCODSFXORJJO-KSMMKXTCSA-N 448.489 5.027 30 20 IKED CCN(CC)CCCC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 782553575 RWNYLWIBUYMUEI-AREMUKBSSA-N 432.612 5.708 30 20 IKED Cn1cc(CN[C@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)c(-c2ccc(C#N)cc2)n1 782782737 GUMBPMKJISAHLO-QHCPKHFHSA-N 443.551 5.083 30 20 IKED CC(C)(C#N)CCCOC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F 783566332 VJASLYNLUGEICV-UHFFFAOYSA-N 435.233 5.080 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(CCCC#N)C2=O)c1 784118125 MNIPFPYXOXTYIA-JOCHJYFZSA-N 448.592 5.184 30 20 IKED C[C@@H](OC(=O)c1ccccc1Oc1ccccc1C#N)c1nnc(-c2ccc(F)cc2)o1 784582560 KJTUQEQMPIUSFZ-OAHLLOKOSA-N 429.407 5.458 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)n1 786962839 SXKBRJIEQBQJAC-AWEZNQCLSA-N 449.363 5.822 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1ccccc1NC(=O)OC(C)(C)C 790647058 SRKSZUWLANWZTQ-UHFFFAOYSA-N 434.989 5.896 30 20 IKED Cc1occc1-c1nnc(SCC(=O)O)n1N=CCCc1ccc(-c2ccccc2)cc1 794887927 LGRMFYZWBYFLFJ-UHFFFAOYSA-N 446.532 5.157 30 20 IKED C[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 795980905 AHFAARLCSVCKFI-GXTWGEPZSA-N 439.726 5.605 30 20 IKED Cc1ccc(C(=O)OCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)cc1C#N 799550133 JORPBIIFOGVYFY-UHFFFAOYSA-N 432.090 5.276 30 20 IKED O=C(NC1(c2cccc(C(F)(F)F)c2)CCOCC1)[C@H](F)c1ccc(C(F)(F)F)cc1 801700729 SGOSNSDBGLMBPZ-QGZVFWFLSA-N 449.366 5.557 30 20 IKED COc1cc(/C=C2/CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OCC(F)F 809154805 FVCCZHFPECBXBS-WIBPKFNESA-N 445.418 5.086 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 812184795 JOBQNAOQOUTRIR-JNAXZKDPSA-N 439.362 5.153 30 20 IKED O=C(CON=Cc1cccs1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 852096643 DKWCOBOVMYSFRW-UHFFFAOYSA-N 447.438 5.008 30 20 IKED C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc(Br)c([C@H](C)OCOC)cc1F 877843207 JQDQZSYSBAFQJJ-RBZFPXEDSA-N 449.320 5.022 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(-c2nc(-c3ccco3)no2)c1 904762886 XYDRPEHNLJBRNY-UHFFFAOYSA-N 441.896 5.031 30 20 IKED Cc1ccc(-c2nnc(COC(=O)c3ccccc3Sc3ccccc3C#N)o2)cc1 914796966 FWASSBUXWQTFME-UHFFFAOYSA-N 427.485 5.425 30 20 IKED Cc1cc(C)c(N2C[C@@H](C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2=O)c(C)c1 915085375 LHWAMLAVCWBRMY-ZCYQVOJMSA-N 437.543 5.259 30 20 IKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CC2)cc1 916211980 ISSLVYXCVDQWDV-KRWDZBQOSA-N 448.375 5.425 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)c1 916897740 RNXRSKNWWHMOMD-HSZRJFAPSA-N 439.490 5.563 30 20 IKED CC(C)Cn1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c2ccccc21 916931434 KWKQZSBDIDYGJE-MRXNPFEDSA-N 428.319 5.565 30 20 IKED Cc1cc(/C=C/C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c(C)n1C1CCCCC1 917039538 AIXKXSINNHBWKG-DRUFCSCSSA-N 436.506 6.245 30 20 IKED CN(C)c1ccc(CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C2CC2)cc1 918035193 NIBRELZLPAHIQB-UHFFFAOYSA-N 427.508 5.008 30 20 IKED N#Cc1ccccc1N1CCCN(C(=O)/C(=C/c2ccc(F)cc2)c2cccs2)CC1 918575406 JPHMOMDXYZHFTK-OQKWZONESA-N 431.536 5.038 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 918583180 GFQQIEOTDBXWJE-AREMUKBSSA-N 448.478 5.452 30 20 IKED Cc1ccc(N2CCCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)cc1 919915332 GAZAJDYPFNPMBQ-UHFFFAOYSA-N 440.547 5.712 30 20 IKED COc1ccc(OCc2nc(/C=C\C(=O)c3ccc(Br)s3)cs2)cc1 920063007 PITFHXUUPZGMGG-UQCOIBPSSA-N 436.352 5.451 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cccc(Cl)c34)CCC2)cc1 1791583451 BAKYCQRMFJHFNC-UHFFFAOYSA-N 433.939 5.373 30 20 IKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccccc3)n3ccccc13)C2 1801636831 GNXXKIIETSPSLF-SNJCGAMXSA-N 441.575 5.070 30 20 IKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc3c1oc1ccccc13)C2 1801697001 GOHOHOGEBHZYLK-BJWYYQGGSA-N 438.474 5.049 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2C2CC2)[C@H]1c1cccnc1 1813757278 FGCZQVXPWGRRIW-WIOPSUGQSA-N 445.607 5.271 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3cnccc23)n[nH]1 1819128527 HOUZIZMPMLTHLN-QFIPXVFZSA-N 445.567 5.256 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc(CCCCC)s2)n[nH]1 1821692243 DEUDBXYKKTUHCC-WMZOPIPTSA-N 443.617 5.117 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)n[nH]1 1822320665 RGAFVOGVNFKRFL-TUNNFDKTSA-N 434.584 5.198 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(F)c(F)c2C)n[nH]1 1823197791 SWXVZIQVKXXYII-HXUWFJFHSA-N 442.510 5.071 30 20 IKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2-c2ccc(C)cc2)[nH]n1 1823421357 YUQPQARYAZMZQO-XMMPIXPASA-N 440.547 5.104 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2scnc2C2CC2)CC1 1824140789 KHTRBSWUKJCWEK-OAQYLSRUSA-N 441.641 5.022 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC)c(F)c2)CC1 1829068214 KSXTUADBWPRJTE-JOCHJYFZSA-N 444.591 5.060 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(Cl)s2)CC1 1829402335 UPDCZWMXSCOJCN-QGZVFWFLSA-N 438.037 5.022 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1 1831474276 BDSCTXAAASPRMI-GNLZIIPMSA-N 428.661 5.425 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1F)=C(/S)Nc1ccc(F)c(Cl)c1 10760539 XXDIPBLQINMWQI-UHFFFAOYSA-O 449.905 5.658 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2ccccc2Cl)cc1 10825568 BPVUHRRGUIICLK-UHFFFAOYSA-O 440.932 5.149 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2OCCC)nnc1-c1ccc(Cl)cc1 11450077 QHCDOGCOECJSMV-UHFFFAOYSA-N 442.972 5.304 30 20 IKED C[C@@H](OC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)Nc1cc(F)ccc1F 15806207 ITFXZCJADJFJII-CQSZACIVSA-N 438.455 5.172 30 20 IKED O=C1N/C(=N/C2CCCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 20987477 TUBVKKWHHJBAQI-STZFKDTASA-N 432.524 5.181 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc(Br)cc3F)c2)c1 31776640 JFXKEVGHOCCWQR-UHFFFAOYSA-N 425.257 5.291 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 61199481 SIJCNLUKBMXIKS-UHFFFAOYSA-N 442.371 5.746 30 20 IKED N#C[C@H](C(=O)CSc1nc2ccc(Cl)cc2o1)c1nc(-c2ccccc2)cs1 110965392 OCNJNXCIDARODZ-CQSZACIVSA-N 425.922 5.573 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1nc(-c2cc3ccccc3o2)cs1)c1ccccc1 111191723 MHOMJCQKHQIXAR-UHFFFAOYSA-N 444.516 5.222 30 20 IKED C=CCn1c(SCc2ccc3ccccc3n2)nnc1-c1ccc(Br)cc1 216111440 SSZDYRGUUSYSBS-UHFFFAOYSA-N 437.366 5.734 30 20 IKED C=CCn1c(SCc2csc(-c3ccc(Cl)cc3)n2)nnc1-c1ccncc1 255930144 YABVBIVHNMPGHJ-UHFFFAOYSA-N 425.970 5.595 30 20 IKED CCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 261395695 MLHQZJCOBZCSCV-REWPJTCUSA-N 443.547 5.028 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1csc(-c2cccs2)n1 301636842 RFGJDZMQOBAWKY-UHFFFAOYSA-N 444.582 5.660 30 20 IKED COc1ccc(C)cc1NC(=O)[C@@H](Sc1nc2c(cc1C#N)CCCC2)c1ccccc1 302987048 VINGISAKLBKPCS-DEOSSOPVSA-N 443.572 5.621 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 303287329 LSGHOKGSZOWZEU-SFHVURJKSA-N 439.544 5.438 30 20 IKED N#CCCn1ncc(C(=O)Nc2cc(Br)ccc2Cl)c1-c1ccccc1 428735857 GAGSGOLFYWRSTI-UHFFFAOYSA-N 429.705 5.132 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(c3ncccc3Cl)CC2)cc1 429473225 QHXIGXNYSPSDAF-UHFFFAOYSA-N 432.911 5.810 30 20 IKED Cc1cccc(CC2(O)CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)c1 431970561 QOTMCXBLMDCGKP-UHFFFAOYSA-N 441.531 5.261 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Br)cc3[N+](=O)[O-])n2)cc1 432219949 UIMRTKSUXVLJEI-OAHLLOKOSA-N 442.294 5.279 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)n2)c1 432685864 QNWQHMCSAFEKDW-UHFFFAOYSA-N 440.459 5.068 30 20 IKED CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)s1 437885079 AYTRFFQYRZVUDA-MRXNPFEDSA-N 447.564 5.363 30 20 IKED CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)s1 437901228 UNIVIVGPRGYOKV-GOSISDBHSA-N 448.592 5.884 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O 439501017 RRDLZHRKHNZDER-PPQYKYOSSA-N 447.579 5.239 30 20 IKED CCCc1c(NC(=O)c2cc(OC)c(C(C)C)c(OC)c2)cnn1-c1cccc(C#N)c1 440086000 CVCXUJUVNAONTL-UHFFFAOYSA-N 432.524 5.089 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCc1noc(Cc2ccc(Br)cc2)n1 444397395 CBKPFAFSJJVUPD-CQSZACIVSA-N 443.370 5.429 30 20 IKED O=C(N1CC2(CCC2(F)F)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 461275290 FDPXWUZMVNWBTJ-VHFJCILWSA-N 445.394 5.366 30 20 IKED N#Cc1ccc(-c2nnc(N3CCCC[C@H]3c3ccccc3)n2C[C@H]2CCCCO2)cc1 461843506 QRLDBUAPBYKSIE-RPWUZVMVSA-N 427.552 5.117 30 20 IKED COc1ccccc1-c1csc(C2CCN(C(=O)[C@@H](C)c3cccc(C#N)c3)CC2)n1 462348900 ZNCKHSNUYGKPQI-KRWDZBQOSA-N 431.561 5.200 30 20 IKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)cc12 464418469 BTYKYPYJLDBSGV-MRXNPFEDSA-N 444.413 5.438 30 20 IKED N#C[C@H](C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1cc(C(F)(F)F)ccn1 464461234 AYSOWVYGGGAROO-SFHVURJKSA-N 443.406 5.650 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1ccccc1Cl)c1ccccc1OC 466078668 NTYSPLJPNQAGQO-VWLOTQADSA-N 445.950 5.707 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3ccccc3C)no2)nnc1-c1ccc(Cl)cc1 466614858 YQEMGISWJAKKPK-OAHLLOKOSA-N 437.956 5.996 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)cc1 466952491 GCKAZINWFAWHBQ-UKILVPOCSA-N 447.579 5.099 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Nc2cccc(COCc3ccco3)c2)c1 467428106 JKLPRWMJCMZWGX-NRFANRHFSA-N 431.536 5.361 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1-c1nc(CCOC)no1 467933418 LQRRWSGNHSLUOZ-UHFFFAOYSA-N 440.931 5.189 30 20 IKED COc1cc(Br)ccc1[C@@H](C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 470362304 IYNQYPGIQKTOOG-UONOGXRCSA-N 448.386 5.735 30 20 IKED N#CCC[C@H](NC(=O)N(Cc1cccc(Br)c1)CC1CC1)c1ccccc1 473733766 MPZVKSGZVIIECA-NRFANRHFSA-N 426.358 5.416 30 20 IKED Cc1nc([C@H](NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c2ccccc2F)no1 475835282 SVZKNXBCXRBOBC-JOCHJYFZSA-N 444.491 5.059 30 20 IKED N#Cc1cc(C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)ccn1 476594927 BWPQRWISTDDZTD-CYBMUJFWSA-N 441.253 5.024 30 20 IKED COCC[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(C)o1 477487828 WFECYXXYKBHTCR-OAQYLSRUSA-N 437.471 5.077 30 20 IKED C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(F)c(F)c1 477645073 OYQTXNUQZYYGBD-MRXNPFEDSA-N 432.776 5.009 30 20 IKED CCOc1ccccc1-c1cccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c1 479317749 YSKDNIUVTJHOIR-UHFFFAOYSA-N 439.559 5.040 30 20 IKED CCOc1ccccc1Oc1ccccc1C(=O)Nc1nc(C)c(SCC#N)s1 482564801 WLPQCOAGYKUPGF-UHFFFAOYSA-N 425.535 5.511 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)[C@H](c1ccncc1)c1ccc(Cl)cc1 483448758 MYVHUTPVRJVAFZ-QHCPKHFHSA-N 434.927 5.647 30 20 IKED Cc1ccc(-c2cccnc2)cc1NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 484955374 GXVCWHGPMNPXGP-UHFFFAOYSA-N 448.482 5.298 30 20 IKED Cc1c(C#N)c(S[C@@H](C)c2nc(O)c3c(-c4ccccc4)csc3n2)nc2c1CCC2 495073846 HFRCDVDSXKFXDJ-AWEZNQCLSA-N 444.585 5.981 30 20 IKED N#Cc1ccsc1C(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 497984578 ZHAUSRNHVQBWGV-QGZVFWFLSA-N 426.423 5.034 30 20 IKED N#C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1c(Cl)cccc1Cl 499808010 CKJDXPQYYDHMEJ-CQSZACIVSA-N 433.276 5.020 30 20 IKED N#C[C@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1Cl 499948960 WWDHNVUJWRXGGZ-QHCPKHFHSA-N 444.897 5.255 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2OC(F)F)cc1 503082088 FDAIOXZSFUFWDP-QZTJIDSGSA-N 431.439 5.031 30 20 IKED CC(C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 503572905 QAYPJUCAUWWIPR-IEIRFRATSA-N 437.971 5.265 30 20 IKED C[C@H]1CCN(CC(=O)Nc2sc3c(c2C#N)C=C(/C=C/c2ccccn2)CC3(C)C)C1 507205442 MVNCIJFRKZBDEH-OZSKJFCKSA-N 432.593 5.073 30 20 IKED CCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1OC 508390871 RUFAIRUKUUHXLJ-UHFFFAOYSA-N 437.883 5.367 30 20 IKED C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2ccccc2F)C1 508870577 ACDDFZLZBGXAJW-HXUWFJFHSA-N 444.963 5.127 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccccc2)n1 509562306 XJDATZPUGPHLGV-NRFANRHFSA-N 449.539 5.402 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 514152363 URHMLOQTKJGXMJ-FQEVSTJZSA-N 428.536 5.674 30 20 IKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 515420959 MTRFHMUEJGHSPL-KRWDZBQOSA-N 445.544 5.215 30 20 IKED CN(Cc1ccccc1NC(=O)c1ccc(COc2ccccc2C#N)o1)C1CCCCC1 515638548 GOHSZXDZGJWVIT-UHFFFAOYSA-N 443.547 5.747 30 20 IKED CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1 518158499 BKCRWCKPXUVCES-QRWLVFNGSA-N 429.973 5.044 30 20 IKED Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 518372722 BYQJUVVFVSBWFO-UHFFFAOYSA-N 425.488 5.454 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Sc4ccccn4)cc3)n2)cc1 518477047 FRVLVGFLRBEWKW-HXUWFJFHSA-N 443.553 5.855 30 20 IKED COc1ccc2[nH]cc(C3=CCN(C(=O)Nc4ccccc4SC[C@H](C)C#N)CC3)c2c1 519450970 NWVPBCPYWMFWMV-QGZVFWFLSA-N 446.576 5.749 30 20 IKED C[C@H](CCc1ccc(Br)cc1)NC(=O)Nc1ccccc1S[C@H](C)CC#N 520940148 GJAPAPUBAGXNGI-HZPDHXFCSA-N 446.414 5.986 30 20 IKED C[C@@H]1c2ccsc2CCN1C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 521196112 ZSCQECYBBPQWQK-FOIQADDNSA-N 449.963 5.141 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H](c2ccccc2)n2cccn2)cc1Cl 522654507 MVJUYMRCDRDQLV-ISKFKSNPSA-N 426.907 5.420 30 20 IKED C=CCOc1c(Br)cc(CNCc2ccc(-c3ccncc3)cc2)cc1OC 523526562 AEYQPBXOSCFJCS-UHFFFAOYSA-N 439.353 5.374 30 20 IKED CCOc1ccc(-c2nc(C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)cs2)cc1 523530254 IRWHUTWKUNXIAA-UHFFFAOYSA-N 443.532 5.135 30 20 IKED C[C@@H](Oc1ccccc1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1ccccc1 524532252 JYRFWNNTMSJECT-LJQANCHMSA-N 448.544 5.156 30 20 IKED C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCC(Oc2cccc(C#N)c2)CC1 532585109 SSEQEKMSMGPAMG-HXUWFJFHSA-N 425.532 5.415 30 20 IKED Cc1ccc(C)c(OC2CCN(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)c1 532931050 JDYFBFWEMCTENY-FQEVSTJZSA-N 437.609 5.180 30 20 IKED CCCN(Cc1ccc(C#N)cc1)Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1 535227112 RXMUKVQRWIBZNX-UHFFFAOYSA-N 438.984 5.765 30 20 IKED C=C(C)[C@@H](CC(=O)N(CC)[C@H](c1ccc(Br)cc1)c1cccnc1)OCC 535966125 HVRASGHWPHPTBN-IFMALSPDSA-N 431.374 5.153 30 20 IKED COc1cc(CN[C@H](CC(F)(F)F)c2ccccc2)ccc1OCc1cccc(C#N)c1 537074330 DHIYNMGLPMVSSW-JOCHJYFZSA-N 440.465 5.929 30 20 IKED CC(C)(C)NC(=O)c1cccc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1 538028005 XPZUBPFHFDMVHX-UHFFFAOYSA-N 426.520 5.075 30 20 IKED Cc1cc(Br)cc(Cl)c1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 538677794 DWPSTBLRDMUPMW-UHFFFAOYSA-N 447.638 5.476 30 20 IKED C[C@H](N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 539229071 KFUAYNIZBMYQSC-SJORKVTESA-N 446.938 5.142 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 542286941 KHIBMFFJAGHUAQ-UHFFFAOYSA-N 447.878 5.153 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(CCCn4ccnc4)CC3)cc2)c1 543039027 CVIQJYTXONFSFM-UHFFFAOYSA-N 429.524 5.271 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 543491527 SGWOCZHHPQPHRA-WIOPSUGQSA-N 430.479 5.448 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)c1nc(-c2ccc(NC(=O)Nc3ccccc3)cc2)no1 546331123 XKRDZNYPEADPNL-INIZCTEOSA-N 425.448 5.392 30 20 IKED Cc1ccc([C@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c2ccccn2)cc1 555007497 LNZZDHYMUTZJBO-VWLOTQADSA-N 435.487 5.360 30 20 IKED C=CCN(Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1)Cc1ccc(Cl)s1 560703000 XJXJTEUYDFXDJL-UHFFFAOYSA-N 446.041 6.348 30 20 IKED N#Cc1cc(Br)ccc1CSc1nnc(Cc2cccs2)n1C1CC1 561434113 BHCJJTXCNYHDES-UHFFFAOYSA-N 431.384 5.192 30 20 IKED CCO[C@H](c1noc([C@@H]2CC[C@H](C(F)(F)F)C2)n1)c1ccc(F)cc1C(F)(F)F 566824822 XFFCADHJTPDVCI-BFVZDQMLSA-N 426.332 5.799 30 20 IKED CN1[C@H]2CC[C@H]1CC([C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccc(Cl)cc1)C2 567743216 JRGPQHOKIONLKZ-KMDXXIMOSA-N 435.999 5.485 30 20 IKED CC(C)Sc1cc(Br)ccc1CN1CCC(C#N)(c2ccccn2)CC1 570379583 FVNIKCUPAIPPBK-UHFFFAOYSA-N 430.415 5.402 30 20 IKED C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1ccccc1SC[C@H](C)C#N 571772013 WKZJTYTXFBZSEX-MSOLQXFVSA-N 431.561 5.735 30 20 IKED C=CCn1c(CCOc2ccccc2)nnc1N1CCC[C@H]1c1nc2ccccc2s1 579042781 XZGRIQNIKVWVGT-FQEVSTJZSA-N 431.565 5.037 30 20 IKED Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c[nH]c12 586874075 FSQJHUVWMHXYDL-HXUWFJFHSA-N 445.881 5.537 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@@H]21 594657614 HFHAZCZVCBTVCN-LPWOILPXSA-N 447.582 5.208 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 603524973 FNZVQLUSUJDMNN-UHFFFAOYSA-N 440.499 5.172 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603673398 QEOZKJHFGDPJBK-QFIPXVFZSA-N 444.922 5.156 30 20 IKED Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)Sc4cc(C#N)ccn4)cc3)sc2c1 603724809 DIZVLJAFZHARSL-HNNXBMFYSA-N 430.558 5.658 30 20 IKED CC(C)c1cccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 603806845 QELPDUNHXMNYLH-HNNXBMFYSA-N 438.578 5.231 30 20 IKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1ccc(COc2ccccc2C#N)o1 603872407 LQLSQIDUHBWBQE-HNNXBMFYSA-N 428.410 5.582 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC3CCN(c4ccccn4)CC3)cc2Cl)cc1 604090395 XRQPRSLNCRNVHX-UHFFFAOYSA-N 447.926 5.189 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)ccc21 604691184 LLKCIUNZNXSPAB-CYBMUJFWSA-N 446.429 5.875 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)cc1 607806692 RYLLMWKQHMSLKW-UHFFFAOYSA-N 433.552 5.046 30 20 IKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1occc1COc1cccc(C#N)c1 608807818 RJMLEVQDPARSTP-UHFFFAOYSA-N 441.487 5.090 30 20 IKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cnn1-c1ccc(F)cc1F 609064087 UQBMNMNVMCTMMJ-UHFFFAOYSA-N 444.441 5.162 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N(Cc3cccs3)C3CC3)cc2Cl)c1 609080230 UHAQEHWVTMAKLQ-UHFFFAOYSA-N 437.952 6.049 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N[C@H](c3ccccc3)c3nccs3)c2)cc1 609208511 NPPFWAPMECBGBZ-JOCHJYFZSA-N 426.501 5.718 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccc(OCc2ccccc2)cc1 609370972 NTOQDZKVEMFLBM-IBGZPJMESA-N 432.545 5.535 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Cn2cccn2)cc1 609378346 CWHNDEKLPXBQGK-UHFFFAOYSA-N 430.455 5.208 30 20 IKED CCCc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C(C)C)cc1 609436293 YFQJDUDTWRHMTN-WZONZLPQSA-N 437.609 5.485 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)NCc3ccc(Oc4ccccc4)nc3)c2)c1 609647811 NLACXEHQGZNDHY-UHFFFAOYSA-N 435.483 5.255 30 20 IKED Cc1cccnc1[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C(C)C 609682877 XMBDEKKNHLEXJF-JTHBVZDNSA-N 432.955 6.218 30 20 IKED C[C@@H](CCC(C)(C)C)NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609948400 ZIHDGNCMJIZQQR-INIZCTEOSA-N 441.959 5.060 30 20 IKED N#C[C@@H](C(=O)c1ccccc1CSc1nc2ccccc2o1)c1ccc2ccccc2n1 613290597 IEMZNUYNQRFVOY-HXUWFJFHSA-N 435.508 6.158 30 20 IKED N#C[C@@H](C(=O)c1cccc(NC(N)=O)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346992 UOWSOHSNTHGRQN-AWEZNQCLSA-N 431.304 5.098 30 20 IKED Fc1ccc(OCc2nc(CN3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cs2)cc1 618455389 ZJWLYRNWPBNWNB-VXGBXAGGSA-N 442.400 5.424 30 20 IKED O=C(c1cc(C(F)(F)F)ccc1F)N1CCC(c2nc(C(F)(F)F)cs2)CC1 622639488 FPMHABCZPHGYEZ-UHFFFAOYSA-N 426.357 5.340 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccccc1COC(C)C 623650054 FJWOGKIHJUQCJZ-UHFFFAOYSA-N 449.364 5.411 30 20 IKED Cc1cc(NC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)ccc1F 673658235 RKEWQMULUUOEKM-UHFFFAOYSA-N 431.311 5.610 30 20 IKED Cc1sc(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1-c1ccc(F)cc1 674784537 MOZCQLHRIIOHSJ-CHWSQXEVSA-N 439.396 6.066 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(Cc1ccccc1)CC(F)F 675272350 YQWPONRQWHVLJO-CHWSQXEVSA-N 432.355 5.373 30 20 IKED Cc1ccc(-n2c(C)cc(C(=O)Cn3cc(C#N)c(=O)c4cc(Cl)ccc43)c2C)cc1F 728705529 XTHUKYCCOJMSHO-UHFFFAOYSA-N 447.897 5.265 30 20 IKED N#C[C@@H](C(=O)COc1ccccc1OCc1ccccc1)c1nc2cc(F)ccc2s1 730924177 QUZMSGGRPCXAIC-SFHVURJKSA-N 432.476 5.270 30 20 IKED CC(=NN1C(=O)c2cccc3cccc(c23)C1=O)c1cnn(-c2cccc(Cl)c2)c1C 731557242 HHEGBVDTMCOJBY-UHFFFAOYSA-N 428.879 5.008 30 20 IKED Cc1ccc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cc1NC(=O)C(C)(C)C 732156113 PXQLXDPTMGETGJ-UHFFFAOYSA-N 428.536 5.511 30 20 IKED C#CCN(C(=O)CCc1ccc(Cl)s1)[C@H]1CCOc2ccc(Br)cc21 733112145 BIXCMXJRZNTFHH-INIZCTEOSA-N 438.774 5.082 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccccc2SCc2ccccc2)cc1 733617375 KXQZZWKDSJDXNT-UHFFFAOYSA-N 432.549 5.930 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(SCc3csc(C)n3)cc2)c1 733771452 RSBCZDFKTSVRDN-HXUWFJFHSA-N 437.590 5.355 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)OCc2nnc(-c3ccccc3Cl)o2)c1 734103164 KEYUNMJMFKHGDA-UHFFFAOYSA-N 445.862 5.198 30 20 IKED C=CC[C@@H](NCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccncc1 734509526 LJAHQQRWZPLMOF-JOCHJYFZSA-N 426.347 6.048 30 20 IKED N#Cc1ccc(NC(=S)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)cc1Cl 734763734 VWMAXKCWVMAVEH-GDLZYMKVSA-N 439.993 5.469 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCCCC[C@H]2c2cccc(C)c2)ccc1OC 735579514 FNLSKXHBZIKAGJ-PKTZIBPZSA-N 435.568 5.512 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2cccc(C(F)(F)F)n2)cs1 739421186 GAMGQNRMYJRFMR-UHFFFAOYSA-N 433.459 5.304 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1 741062060 JVEPCLOHEMZLNM-UHFFFAOYSA-N 438.531 5.030 30 20 IKED C[C@H](NC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1)c1cccc(C#N)c1 743777216 QMCYGKOHYPYMBS-IBGZPJMESA-N 449.620 5.370 30 20 IKED N#C[C@H](C(=O)C1(Cc2cccc(Cl)c2)CCCC1)c1nc2ccccc2n1C(F)F 744038321 QIMPZCIJDJMFQI-QGZVFWFLSA-N 427.882 6.064 30 20 IKED CCOc1cc(/C=C(/C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)ccc1O 747154713 JOUIQQMAWROQOE-XSFVSMFZSA-N 449.934 5.966 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2c[nH]c3cc(F)ccc23)cs1)c1ccc(F)cc1F 749452013 IVNIDWZQRFJNDY-DAXSKMNVSA-N 441.434 5.622 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3C[C@@H](O)c3cccs3)cc2)c1 751006067 WWWFAFBPNAMEBD-DENIHFKCSA-N 433.533 5.532 30 20 IKED CC[C@@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC[C@H]1NC(=O)OC(C)(C)C 757328998 UXUMQCJRDFPJEP-AUSIDOKSSA-N 448.567 5.067 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1 764376440 TZFXMMDPVOLSHD-SFHVURJKSA-N 448.567 5.018 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3cccc(SC(=O)N(C)C)c3)o2)cc1 768462777 XOYXUVZBZONCOD-UHFFFAOYSA-N 427.551 5.367 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCCN1Cc1ccc(F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 768781493 BWYITYSLTMADRG-AEFFLSMTSA-N 447.457 5.295 30 20 IKED CC1(C2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)OCCO1 768967342 LZULXVMJSSWBSR-NRFANRHFSA-N 439.943 5.002 30 20 IKED COc1cc(/C=C(/C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c2ccccc2)ccc1O 773558810 IXYRVQMODXPIIP-KOEQRZSOSA-N 436.511 5.129 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(OCc4ccccc4)ccn3)n2)cc1 779194237 LVQAZXIFKOQFBI-NRFANRHFSA-N 436.496 5.146 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 782772654 IRGWZHLEROAXCQ-BRWVUGGUSA-N 432.590 5.038 30 20 IKED N#C[C@@H](C(=O)[C@H]1CCCN1c1nccs1)c1nc(-c2ccc(Cl)cc2Cl)cs1 783069197 GEHBERLLICXYBU-XJKSGUPXSA-N 449.388 5.419 30 20 IKED CCCc1c(NC(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)cnn1-c1cccc(C#N)c1 784479095 VDUBCUUJKKWTPV-QFIPXVFZSA-N 435.478 5.344 30 20 IKED CCCOc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)N[C@H](CC)c3ccccc3)cs2)cc1 787046206 PQDHSWTXVCCYHB-NHCUHLMSSA-N 447.560 5.189 30 20 IKED C#CCn1ccc(CN(CC)C(=O)Nc2ccc(C)c(OCc3cccc(Cl)c3)c2)n1 788676062 RJVYGSIMDCSEPG-UHFFFAOYSA-N 436.943 5.111 30 20 IKED CSCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccsc1 790726280 QEDPCFYIGHJMSQ-GOSISDBHSA-N 447.651 5.078 30 20 IKED O=C(O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1nc(Br)ccc1F 791629175 UUUNJBOMCMCVOI-GFCCVEGCSA-N 446.116 5.462 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1cnc2ccccc2n1 792108368 LUGMNWPMTNKNGD-HNNXBMFYSA-N 439.327 5.479 30 20 IKED C[C@@H](OC(=O)C[C@H](CC#N)c1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1 795988124 FFXGWUHHTSJOPE-CTNGQTDRSA-N 428.488 5.437 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)COc2ccc(C3SCCCS3)cc2)s1 797567736 AXYZCNQOFYJOSD-INIZCTEOSA-N 432.636 5.565 30 20 IKED N#C[C@@H](C(=O)C1(c2cncc(Br)c2)CC1)c1nc2cc(Cl)ccc2s1 798816605 NHLLHVXTATXDGJ-ZDUSSCGKSA-N 432.730 5.015 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)c3ccc(C(F)(F)F)cc3)n2)cc1 798819901 NDAAYRMFXZKTFD-SCLBCKFNSA-N 430.451 5.817 30 20 IKED Cc1ccccc1[C@@H](O)C1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC1 804521234 QKVCNHCVLSIQQU-MHZLTWQESA-N 440.543 5.032 30 20 IKED N#C[C@H]1CC[C@@H](COC(=O)c2ccccc2NC(=O)c2ccccc2Br)CC1 809087881 BYMATIPTMYUGEH-IYBDPMFKSA-N 441.325 5.188 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc2cc(Cl)sc2[nH]1 810529361 DZSUGNIWHBCBLZ-OAHLLOKOSA-N 435.892 5.636 30 20 IKED COc1cc(CNC(=O)c2oc3ccccc3c2CSc2nc(C)cs2)ccc1C#N 812250009 WQNAMXMPNHRXHB-UHFFFAOYSA-N 449.557 5.300 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 814245703 DRQHDQJHSPFZPR-UHFFFAOYSA-N 438.571 5.276 30 20 IKED C[C@@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1cccc(NC(=O)c2ccccc2)c1 815478235 MRBFBOTVJNASBL-CQSZACIVSA-N 439.393 5.142 30 20 IKED O=C(Nc1cccc(/C=C/C(=O)c2cnnn2-c2ccccc2)c1)c1ccccc1Cl 821007161 FAFFRVANTPJXAS-BUHFOSPRSA-N 428.879 5.069 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CSc1ncc(-c2ccccc2)n1Cc1ccco1 821683320 JNJMVULOMQPRFH-UHFFFAOYSA-N 448.935 5.447 30 20 IKED Cn1ccnc1SCc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)o1 915086417 UZNDWDUIXGLNTA-NRFANRHFSA-N 428.517 5.213 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc(OC)c1OC 915359046 JUDKAIXIXDHQTJ-JTSKRJEESA-N 445.519 5.251 30 20 IKED COc1ccc(C(=O)/C=C/c2cn(CCC#N)nc2-c2ccccc2)cc1Br 916134066 BTKUSIFLYCSZBB-CSKARUKUSA-N 436.309 5.131 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ccccc2C(F)(F)F)cs1 916259398 DFHCSQJTNPQBEG-UHFFFAOYSA-N 438.862 5.946 30 20 IKED CCOc1ccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)c(O)c1 916272635 FVBJZKSPBSOAJN-UHFFFAOYSA-N 439.924 5.073 30 20 IKED CCN(CC)Cc1cccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 916400739 LTOMWWSRMYXMBA-AREMUKBSSA-N 426.564 5.506 30 20 IKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2Cl)o1)C(=O)Nc1ccc(F)c(Cl)c1 916938185 IVFRNLUDDJDOHT-CQSZACIVSA-N 446.265 5.068 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(Br)cc2)cs1 917557642 DNGPJMVXTKQOLS-DHZHZOJOSA-N 445.313 5.625 30 20 IKED N#Cc1c(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)sc2c1CCCCCC2 917782941 KAEBHBGHGNPGBP-UHFFFAOYSA-N 434.315 5.202 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccccc3Br)n2)cc1 920140959 DJNBUZGVQQSGGK-KRWDZBQOSA-N 441.350 5.390 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4nccnc4c3)CCC2)cc1 1786102919 CQMOATDHHAZEGM-UHFFFAOYSA-N 440.547 5.146 30 20 IKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)c(C)o1 1790703476 PAYCSYIFWHLDIV-UHFFFAOYSA-N 427.504 5.024 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H]4CC[C@H](C(F)(F)F)CC4)cc3)CCC2)C1 1792240663 OFDCYSDNEMWHAE-RUCARUNLSA-N 434.502 5.455 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1Oc1ccccc1 1799549384 CIYCLDGCDMDRID-KHUIQGCPSA-N 444.575 5.499 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CC2CCC(C)(C)CC2)C3)c1 1803685324 SRUUNXUHMBEAKA-LZQXYRQZSA-N 435.612 5.172 30 20 IKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCCCC(C)(C)C)n[nH]1 1822113842 DVSWTFJWUVOQKS-QUCCMNQESA-N 447.624 5.199 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)ccc2C)CC1 1828823337 FIKWCSAVPSCUAK-ISKFKSNPSA-N 426.576 5.136 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C(C)=C/c2ccc(C)o2)CC1 1828826943 OYKCHDBUOMTNPZ-WRYPBRFRSA-N 438.612 5.379 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)ccc2Cl)CC1 1828827589 PWUUQVCULFQQRO-OFNKIYASSA-N 446.994 5.481 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC)cc2F)CC1 1830519699 AGAKXXHTQQSYBX-HSZRJFAPSA-N 444.591 5.060 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)c(Cl)c2)CC1 1831441680 ABTKXNOXJSBKSW-FQEVSTJZSA-N 438.946 5.093 30 20 IKED COc1ccc(OCc2nnc(SCc3cccc(C#N)c3)n2-c2ccccc2F)cc1 8751549 HGYQYSKPUJYBGU-UHFFFAOYSA-N 446.507 5.158 30 20 IKED Cc1ccc(N/C(S)=C(\C(=O)c2cc(C)sc2C)[n+]2ccc3c(c2)CCCC3)cc1 10173339 WRBAWOPRGRVYHO-UHFFFAOYSA-O 435.638 5.891 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(C(C)C)cc2)c1 11263519 LRPQGWRKVGGZBD-UHFFFAOYSA-O 425.524 5.735 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)nnc1-c1ccncc1 15278133 YRPILEYAEVXEFA-JOCHJYFZSA-N 441.560 5.307 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nc(C(F)(F)F)nc2ccccc12 17219065 SZXCQJAJPVDVEY-UHFFFAOYSA-N 435.496 5.658 30 20 IKED Cc1cc(C)c(C#N)c(SCc2nc3scc(-c4ccccc4Cl)c3c(=O)[nH]2)n1 22517231 KPOZHTFPWGGPCB-UHFFFAOYSA-N 438.965 5.481 30 20 IKED Cc1cc(C(=O)/C(=C(/S)NCc2ccccc2)[n+]2ccc3c(c2)CCCC3)c(C)s1 22730835 RHHLBRKPEAXSOD-UHFFFAOYSA-O 435.638 5.260 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(OCC)cc2)[n+]2ccccc2CC)cc1 22731393 XJGUMVMISCDOHY-UHFFFAOYSA-O 449.596 5.385 30 20 IKED C=C(C)CN/C(S)=C(/C(=O)c1cc(C)sc1C)[n+]1ccc(Cc2ccccc2)cc1 22798456 JCTYIVBFHAYUFD-UHFFFAOYSA-O 435.638 5.348 30 20 IKED CCCn1ccc2cc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)ccc21 60271218 HCXMXNKQPRCXBZ-UHFFFAOYSA-N 443.507 5.026 30 20 IKED N#C[C@H](C(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 60488327 XHRFUUAQVIUASS-WOJBJXKFSA-N 438.936 5.511 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(Oc4cccnc4)cc3)c2)cc1 63294122 YHBYGTYZWZCANP-UHFFFAOYSA-N 435.483 5.771 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 105862777 WAWGVGGHLYXKRY-UHFFFAOYSA-N 434.883 5.004 30 20 IKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nc4ccccc4n3C)cc(-c3ccccc3)nc21 195556843 HVTDDRIOPYVAPH-IBGZPJMESA-N 434.503 5.056 30 20 IKED N#Cc1ccccc1-c1ccc(CSc2nnc(N3CCCC3)n2Cc2ccco2)cc1 247646541 KLLKPPZLGYWKHU-UHFFFAOYSA-N 441.560 5.351 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 303676966 JCSYHVVWYZPAGX-NLGDKJDOSA-N 446.572 5.049 30 20 IKED COc1ccccc1-c1nnc(S[C@@H](C)c2ccc(C#N)cc2)n1CCc1ccccc1 303681133 JAYKPJBBHTYECJ-IBGZPJMESA-N 440.572 5.921 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccnn1Cc1cccc2ccccc12 429752011 MPBUBEDVNWLBQE-JWQCQUIFSA-N 435.531 5.388 30 20 IKED CN(C(=O)c1ccc(C#N)nc1)[C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 430547143 TWKPLYQWHSIJDB-FQEVSTJZSA-N 440.728 5.231 30 20 IKED N#CCC[C@@H](NC(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1)c1ccccc1 430895124 SIDHDVDDCYDINC-UXHICEINSA-N 430.321 5.480 30 20 IKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)Cc1ccc(C#N)cc1OC(F)F 437654586 LZPSGVOWJKGTOD-UHFFFAOYSA-N 432.858 5.275 30 20 IKED COc1ccc(OCCN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 438664341 LUKWXCNBKUEVGB-UHFFFAOYSA-N 435.455 5.041 30 20 IKED Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 439163434 RXZSNHZKKNKHAG-UHFFFAOYSA-N 425.803 5.612 30 20 IKED CN(C(=O)C1(C#N)CCCCC1)c1ccc(Cl)c(N(C)C(=O)C2(C#N)CCCCC2)c1 441464000 HDMUNPMYELVKQC-UHFFFAOYSA-N 440.975 5.214 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(CCCO)[C@@H]3CCc4ccccc43)cc2)c1 443910847 RKJYGKVTXPRDAA-RUZDIDTESA-N 427.504 5.254 30 20 IKED FC(F)C(F)(F)COCc1noc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 445741976 JBJFZJIECBWTDN-UHFFFAOYSA-N 426.210 5.191 30 20 IKED C=CCn1c(SCc2nccs2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 446974771 LQMYWEVUTPIVIS-UHFFFAOYSA-N 429.567 5.507 30 20 IKED CCOC(=O)[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)Cc2ccccc21 448412812 HLHHIGRAPWQJFC-HSZRJFAPSA-N 441.487 5.045 30 20 IKED C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CCC[C@@H]1c1ccc(COC)o1 460377021 RHZIRDZTOWOLNB-HXUWFJFHSA-N 426.948 5.179 30 20 IKED COc1ccccc1-c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1Cc1cccs1 461502719 LWCQTROJSHMIBP-UHFFFAOYSA-N 441.560 5.104 30 20 IKED CCN(C(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C)c1ccc(C#N)cc1 461514815 LATACPZFFIOVKG-UHFFFAOYSA-N 427.508 5.427 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 462267908 JSFZDLHRQFLKBM-OZXSUGGESA-N 441.531 5.488 30 20 IKED CC(C)CN(C(=O)CCc1nc2cc(Br)ccc2s1)c1ccc(C#N)cc1 463590013 MMEXNBDURBETHA-UHFFFAOYSA-N 442.382 5.552 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(-c2ccc(OC)cc2)cc1 466231982 DKAFYGZGUALCSC-UHFFFAOYSA-N 431.492 5.168 30 20 IKED C[C@@H](C#N)CSc1ccccc1NCc1ncc(-c2cccc(Br)c2)o1 467262741 HYMSSTRISZUHQD-AWEZNQCLSA-N 428.355 5.968 30 20 IKED Cc1c(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)oc2c1ccc1ccccc12 469951011 TXQRZCPULJWCNN-UHFFFAOYSA-N 437.499 5.730 30 20 IKED CCC(=O)c1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 471330844 LNUGDMDTKGEHIG-UHFFFAOYSA-N 443.450 5.469 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)Nc3nnc(SCc4ccc(Cl)cc4)s3)CC2)c1 478666194 ZOJUAGUPCXGWPK-UHFFFAOYSA-N 444.944 5.165 30 20 IKED N#Cc1cc(Cl)ccc1CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 479231105 GVNZXXBEOXPGLA-LJQANCHMSA-N 428.920 5.081 30 20 IKED C=C(C)Cn1c(S[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccncc1 481339827 NJYRYOHZKXYHNN-KRWDZBQOSA-N 435.597 5.333 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)nnc1-c1ccc(C)cc1 481360350 SQFLOFFFAZKFIS-OAHLLOKOSA-N 444.507 5.160 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccc(F)cc1Br 484129148 BROWYZZPWCLWJC-CYBMUJFWSA-N 436.350 5.646 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4nc5c(cc4C#N)CCCC5)cc3)o2)c1 484143653 UVKJPCAHCLBSBX-UHFFFAOYSA-N 435.487 5.110 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/c2nc3ccccc3n2CC#N)cs1 486102771 NRSIWFORMJFUON-DHZHZOJOSA-N 433.924 5.525 30 20 IKED C=CCSc1ccccc1C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 486246048 UIMQCDBAXKXWQN-UHFFFAOYSA-N 436.964 6.147 30 20 IKED Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cc2)n1 488804528 KNDFKPFSXRPFLT-UHFFFAOYSA-N 437.503 5.168 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)nnc1-c1ccccc1C 488899055 NNCXHTYANYMOML-MJGOQNOKSA-N 438.622 5.345 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)(C)C 492806039 HQEFNRWHYXPIQP-HXUWFJFHSA-N 438.490 5.666 30 20 IKED Cn1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1NC(=O)c1cc(C#N)ccc1Cl 498931725 SNOXFFDLRFIVGC-UHFFFAOYSA-N 439.224 5.537 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCn1c(=O)oc2cc(Cl)ccc21 500746272 VLLKBWHPVSKOPJ-UHFFFAOYSA-N 447.878 5.249 30 20 IKED Cc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c(OCC(F)(F)F)c1 500903059 QUDZKZODGQCEIE-UHFFFAOYSA-N 430.382 5.232 30 20 IKED C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1cccc(N2CCCC2=O)c1 501623246 WQSNNJJBSGNMDZ-GOSISDBHSA-N 441.556 5.327 30 20 IKED N#Cc1cc(NC(=O)Nc2cccc(COCc3ccco3)c2)ccc1OCC(F)(F)F 502322654 ZYBUZZLJKUJODE-UHFFFAOYSA-N 445.397 5.453 30 20 IKED CC(C)(C)C[C@@H](NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 503342727 GRZFKRZSJHPOQW-XMMPIXPASA-N 436.575 5.092 30 20 IKED CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1 505346506 WUPJXNBTYORJGJ-SFHVURJKSA-N 432.351 5.106 30 20 IKED C[C@H]1CN(Cc2ccc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)cc2)C[C@@H](C)O1 507896938 YBDWJKCRFPSCPD-BGYRXZFFSA-N 441.531 5.212 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@]2(C1)OCc1ccccc12 508949375 HTYNXCHGBDFYBV-JOCHJYFZSA-N 427.335 5.074 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccccc2Oc2cnn(C)c2)cc1 509935451 TZFJAODJPQQZRL-UHFFFAOYSA-N 440.459 5.137 30 20 IKED C[C@H](c1cccc(Cl)c1)N(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510243596 RRWLJGLRFXWTOC-CYBMUJFWSA-N 443.985 5.580 30 20 IKED CCCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1 511910347 WCIPEXFQFBJBHJ-UHFFFAOYSA-N 441.531 5.262 30 20 IKED CCc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cnn1Cc1ccccc1 512861075 MHFQHVVXVDYKND-UHFFFAOYSA-N 436.515 5.719 30 20 IKED N#C[C@@H](C(=O)c1cccc(COc2cccc(F)c2)c1)c1nc2ccccc2n1C(F)F 512973789 BPJUTXPWIHEDJD-IBGZPJMESA-N 435.405 5.640 30 20 IKED CCCc1noc2nc(C3CC3)cc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)c12 514425195 WETFUQBKJBPPBJ-UHFFFAOYSA-N 429.505 5.300 30 20 IKED Cc1c(C#N)c(SCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)nc2c1CCC2 515423805 XYCGOZLESKJYGW-DEOSSOPVSA-N 445.613 5.078 30 20 IKED N#Cc1cccnc1Oc1ccccc1NCC(=O)Nc1cccc(Oc2ccccc2)c1 515670190 LMSUYMKIVFEAGH-UHFFFAOYSA-N 436.471 5.588 30 20 IKED COc1ccccc1[C@H](C)NC(=O)[C@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 516379155 JFORQHVOHYRZGQ-OALUTQOASA-N 429.520 5.345 30 20 IKED COc1cccc2c1OCC(C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)=C2 519434405 ZQHSZJIESQRSEC-UHFFFAOYSA-N 434.439 5.134 30 20 IKED CN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccc(Br)cc1F 520326063 JPIOBBTXYLDCKP-UHFFFAOYSA-N 439.284 5.723 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)cc1 521238311 ZFDMKSBSRMBHAC-UHFFFAOYSA-N 443.478 5.254 30 20 IKED C[C@H](C#N)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1c(F)cccc1Cl)CC2 521534998 XPJZINMNLUISTA-XYGUXCPDSA-N 433.914 5.746 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 521823869 RNILRGHZKXMAQW-UHFFFAOYSA-N 429.549 5.167 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 523620307 RGMXXCKNHXLBBV-OAQYLSRUSA-N 445.950 6.006 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 525004477 QIXMREXHLWXUBI-ZDUSSCGKSA-N 429.973 5.635 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1ccccc1)c1ccc(F)cc1 533055461 QQSQMWPOHOPSLS-CJAUYULYSA-N 433.552 5.395 30 20 IKED Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 535069482 XULAMPKURODCBU-MRXNPFEDSA-N 435.789 5.197 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1ccc([S@@](C)=O)cc1 535972095 CIDDWBKSMZNEKO-ZUQCGGBESA-N 447.560 5.066 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)c1cc(F)c(Cl)cc1Cl 539242533 CIUGXWLHWBQMAN-STQMWFEESA-N 440.371 5.674 30 20 IKED C=CCC[C@@H](N[C@@H](C)c1cccc(NS(C)(=O)=O)c1)c1ccc(C(F)(F)F)cc1 540148854 HFDCBZBRUKITPS-MGPUTAFESA-N 426.504 5.435 30 20 IKED Cc1cc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1C(=O)N(C)C 541093759 SWERBWIKOGGGDM-SFHVURJKSA-N 426.520 5.118 30 20 IKED CCCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cnn1C1CCCC1 542286296 FFFWUOCLEGVGNG-IBGZPJMESA-N 434.565 5.573 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@H](C)C[C@H]2c2cccnc2)cc1 542672225 XCBRRHWNLAAUJS-VGSWGCGISA-N 428.492 5.369 30 20 IKED C=CCn1c(SCC2CCN(C(=O)C(C)(C)C)CC2)nnc1-c1cccc(Cl)c1 547244992 ANWSVKDDBWSVCQ-UHFFFAOYSA-N 433.021 5.161 30 20 IKED O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 549237907 AXYUUDHUSUGJNG-GXTWGEPZSA-N 430.339 5.332 30 20 IKED N#Cc1ccc(Br)c(C[S@@](=O)[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 549689618 SPOILAVWPSFTJT-QFQXNSOFSA-N 444.781 6.012 30 20 IKED CCN(Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1)C(C)C 554319543 GJMRAVFLJBECQZ-SFHVURJKSA-N 439.531 5.809 30 20 IKED CCN(c1ccccc1)S(=O)(=O)c1cc(NCc2cccc(C#N)c2)ccc1Cl 561575966 JADRPSWTBJUOFE-UHFFFAOYSA-N 425.941 5.039 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 562135345 YEFUFFLBQUCQFZ-UHFFFAOYSA-N 445.519 5.027 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1 566879845 SUPMZZQMEGZYHL-ZWKOTPCHSA-N 432.549 6.008 30 20 IKED N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC(c2nc(-c3ccccc3)no2)CC1 589572166 XYWFTTYOZFCEIY-UHFFFAOYSA-N 447.445 5.142 30 20 IKED COc1ccc(-c2ccc(C(=O)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c(F)c2)cc1 592609659 GDEUZFMLZWCWCP-GASCZTMLSA-N 449.366 5.704 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cc1coc(-c2ccccc2)n1 603533000 KSCXJQQVDWYADM-UHFFFAOYSA-N 425.463 5.437 30 20 IKED CCCN(CCc1cccc(F)c1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603589024 MVFMCEVAUAAPCQ-HUUCEWRRSA-N 442.419 5.699 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(OCc3cccnc3)cc2)cc1 604003681 SCYLPIKHGMNSSM-UHFFFAOYSA-N 449.510 5.558 30 20 IKED C=CCn1c(S[C@@H](C#N)Cc2ccccc2)nc2scc(-c3cccs3)c2c1=O 604071153 KNCPZGPCNICFCQ-MRXNPFEDSA-N 435.599 5.599 30 20 IKED C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 606174460 MCMNVIKQZWUVRU-SWHYSGLUSA-N 449.357 5.910 30 20 IKED CC[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C1CCCCC1 608797515 XVYOWNHTRGLREI-FYYLOGMGSA-N 437.971 5.409 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)[C@H](c3ccccc3)n3cccn3)cc2Cl)c1 609062534 UDZMHQNTRHWFIR-DEOSSOPVSA-N 442.906 5.215 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1ccc(F)c(C#N)c1 609103001 STIXMSDZYWVGGG-UHFFFAOYSA-N 431.851 5.364 30 20 IKED COc1ccc2cc(CN(C)CC(=O)Nc3ccccc3SC[C@H](C)C#N)ccc2c1 609384824 CGPQBTNHXVJIJY-GOSISDBHSA-N 433.577 5.171 30 20 IKED C[C@@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 609387235 UOUVTANOGXVXBP-PMACEKPBSA-N 429.589 5.645 30 20 IKED CCCN(C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H](C)c1cc2ccccc2o1 609403290 KHWLVWPOEOLLDM-QZTJIDSGSA-N 449.576 5.623 30 20 IKED N#CCCCS(=O)(=O)c1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)no2)cc1 609476105 SRLSMBHCOCZAAN-UHFFFAOYSA-N 429.501 5.148 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccccc3Oc3ccccc3Cl)cc2)nc1 609498121 SRHWXUGXQVHDIJ-UHFFFAOYSA-N 441.874 6.444 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CC(Cc4ccc(C(F)(F)F)cc4)C3)cc2)nc1 610660109 CZUFXFZLUMEUEK-UHFFFAOYSA-N 437.421 5.079 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC4(CC3)OCc3ccccc34)cc2)c1 610744802 DXKLTQBNCVWBDW-UHFFFAOYSA-N 425.488 5.404 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3CCCc4cn(C5CCCC5)nc43)cn2)c1 611556218 FJGNZNIVXUNPBI-QFIPXVFZSA-N 442.523 5.256 30 20 IKED C[C@]1(C#N)CCCN(C(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)C1 612252158 VEOZDUWEUVRLEY-OAQYLSRUSA-N 431.323 5.403 30 20 IKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)[C@@H](C#N)c3ccc4ccccc4n3)o2)cc1 613292644 PDXVUQPPRNMOOC-QHCPKHFHSA-N 429.479 6.355 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618300265 ABRXCWCJOOASMK-VXGBXAGGSA-N 440.384 5.461 30 20 IKED CCc1ccc([C@H](NCc2ccc(C#N)c(Cl)c2)c2cccc(S(C)(=O)=O)c2)cc1 619755408 IIQXLVNVUDIUOY-DEOSSOPVSA-N 438.980 5.057 30 20 IKED O=C(N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1(c2ccc(F)cc2)CCCCC1 619903757 MMIRZHVRRBNLKL-GJZGRUSLSA-N 425.388 5.617 30 20 IKED O=C(Nc1cc(F)ccc1Br)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 675143260 ZGSZTWKUCSJMMO-OCAPTIKFSA-N 437.153 5.183 30 20 IKED O=C(NC1CC(F)(c2cccc(Cl)c2)C1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 684630335 WPNDTVONNPETGR-DNCHLWJUSA-N 432.767 5.049 30 20 IKED CCCOc1cc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)ccc1OC 726626318 DGIPSCABUBHYHL-GRSHGNNSSA-N 444.965 5.415 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2csc(-c3ccccc3C)n2)c1 727560425 OBXNPFAPGMKPSZ-LJQANCHMSA-N 447.560 5.228 30 20 IKED N#C[C@@H](C(=O)Cc1c[nH]c2cc(Cl)ccc12)c1nc(-c2ccc(Cl)cc2)cs1 727953696 FMUGYUUOXSBIRY-KRWDZBQOSA-N 426.328 6.017 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@H]3c3ccccc3C(F)(F)F)o2)cc1 728031758 BDZQSZDKFZWCSX-NRFANRHFSA-N 440.421 5.726 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)CS[C@H](C)c2nc3ccccc3[nH]2)c1 728181352 COJBRCVENFIMPE-QGZVFWFLSA-N 431.586 5.633 30 20 IKED COc1ccc2c(CNc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc(=O)oc2c1 728201626 KJZJJQGJCOBMAX-UHFFFAOYSA-N 430.435 5.003 30 20 IKED Cc1nc(/C=C\c2cccc(OCC#N)c2)sc1C(=O)/C=C/c1cccc(OCC#N)c1 730149283 FJVAICYUDMFGLG-GOOGBFEESA-N 441.512 5.323 30 20 IKED N#C[C@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1nc2cc(F)ccc2s1 730694371 AEROHGQWNMQPOU-GFCCVEGCSA-N 449.454 5.873 30 20 IKED Cc1c(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)oc2c(F)cccc12 731068944 GLPDKCPNPJRBBT-ZDUSSCGKSA-N 426.469 5.070 30 20 IKED C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 731114297 MYSQZDDRDSXYSV-SQNIBIBYSA-N 446.617 5.095 30 20 IKED N#CCOc1ccc(COC(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)cc1 733492102 YCFDFFJGRLXMGD-QFIPXVFZSA-N 425.843 5.245 30 20 IKED Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3cccc(COc4cccc(C#N)c4)c3)o2)c1 734592065 CMKSBLZZHIIGBQ-GOSISDBHSA-N 439.471 5.414 30 20 IKED N#CCOc1ccc(Cl)cc1CSCCC(=O)Nc1cccc(Br)c1 736348115 LYTURWQQPGOWAA-UHFFFAOYSA-N 439.762 5.267 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)cc1 739511362 FEOJOWQWPKOJRP-NRFANRHFSA-N 447.420 5.194 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)c3ccccc3OCc3cscn3)c2)s1 739594892 SKMFGKPAEPIVBR-UHFFFAOYSA-N 431.542 5.252 30 20 IKED C[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1nc(-c2ccc(Cl)cc2)no1 742709916 WCTHXNLNYJFJLC-KRWDZBQOSA-N 444.922 5.691 30 20 IKED Cc1noc(C)c1CN(C)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 743221778 YCMJSEJALFKLDH-UHFFFAOYSA-N 444.413 5.638 30 20 IKED CCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(OCC)c1 743739745 YZRIQCWWJNTDBD-OAQYLSRUSA-N 439.581 5.072 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)[C@]3(Cc4ccc(Cl)cc4)C[C@H]4CC[C@H]3C4)o2)c1 745056590 FCBLICRTXXMDLC-APJQNUAFSA-N 447.922 5.354 30 20 IKED COc1cc(COC(=O)c2c(F)c(F)cc(F)c2F)ccc1OCc1cccc(C#N)c1 748230375 MZQFRQMMSDFSGB-UHFFFAOYSA-N 445.368 5.059 30 20 IKED COc1ccc2ccccc2c1CN(C(=O)Cc1cccc(OCC#N)c1)C1CCCC1 760441341 BLPCBZWXJWDBSN-UHFFFAOYSA-N 428.532 5.265 30 20 IKED Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc(F)cc1OCC#N 760801273 NSIXRGADPUGBDC-UHFFFAOYSA-N 426.451 5.142 30 20 IKED CCCc1c(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cnn1-c1cc(C)ccn1 761027414 UFLBSOBNAZXDJL-UHFFFAOYSA-N 438.535 5.060 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(O)(c3ccccc3)CC2)cc1F 767815790 KOIBOWXYEKGANA-UHFFFAOYSA-N 431.467 5.005 30 20 IKED Cc1csc(SCc2ccc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2)n1 767963705 CIIMZHJXZKYQQU-UHFFFAOYSA-N 431.586 5.545 30 20 IKED CCc1ccc(N(C(C)=O)c2nc(COC(=O)c3ccc(C4(C#N)CC4)cc3)cs2)cc1 777178568 ZWUGRIBCEWXHSU-UHFFFAOYSA-N 445.544 5.302 30 20 IKED COc1ccccc1CSc1ccccc1NC(=O)Nc1ccccc1O[C@@H](C)C#N 780598684 HOCACGYOBXKDLA-KRWDZBQOSA-N 433.533 5.922 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C\c2cc(C(=O)O)cs2)C(=O)c2ccccc2)c(Cl)c1 782201551 UOERQCAOTDVVCO-WQRHYEAKSA-N 439.920 5.622 30 20 IKED COc1ccc2c(c1)CN(C(=O)Nc1ccccc1O[C@H](C)C#N)[C@@H](c1ccccc1)C2 787434188 RNCMLVNHNPTJLT-HOYKHHGWSA-N 427.504 5.318 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2nc(Br)ccc2F)cc1F 791614469 AJCJQZRGSQFIDP-UHFFFAOYSA-N 430.208 5.039 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(Cc4ccccc4)c3Cl)n2)cc1 796798442 QCDRCJAHRWLXFC-GOSISDBHSA-N 432.936 5.507 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Oc2ccccc2)cn1 799602192 KIVGCJKZXNOBOF-INIZCTEOSA-N 426.259 5.142 30 20 IKED N#C[C@H](C(=O)Cc1c(F)ccc(Br)c1F)c1nc(-c2ccccc2)cs1 800387935 XNPWNRJYXAIUJV-CYBMUJFWSA-N 433.277 5.270 30 20 IKED C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 804535290 KASYAIIJPXUNRA-XXBNENTESA-N 443.522 5.019 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 813623241 OAVQUUUWELUJNO-LJQANCHMSA-N 442.462 5.192 30 20 IKED CCc1nc2ccccc2n1N=Cc1cc(Br)ccc1OCc1ccccn1 818272379 PSMSDKZXHSQLHU-UHFFFAOYSA-N 435.325 5.217 30 20 IKED FC(F)(F)C(F)(c1ccc(N[C@@H]2COCc3cccc(Cl)c32)cc1)C(F)(F)F 864018270 AUACQMSQIUINLJ-CQSZACIVSA-N 427.747 6.313 30 20 IKED CCC(=O)c1ccc(OCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 915104540 RCLWWKSVGMLAAX-OAHLLOKOSA-N 432.423 5.163 30 20 IKED Cc1cc(C)n(-c2ccc(CCNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2)n1 915359319 NFJDGVGWPDAMFB-MHZLTWQESA-N 449.558 5.509 30 20 IKED CC(=NNc1ncc(C(F)(F)F)cc1Cl)c1ccc(O)c(CN2CCCCC2)c1 916541411 TYHPVTVFLIDBRB-UHFFFAOYSA-N 426.870 5.281 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(SC(F)(F)F)cc1 916888014 SIGSRPLUQOEGCE-CQSZACIVSA-N 446.422 5.574 30 20 IKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 917046863 VBDHIPLSLQZJHG-ZBEGNZNMSA-N 429.954 5.265 30 20 IKED C=CCn1c(-c2ccco2)nn(CN(Cc2ccccc2C(F)(F)F)C2CC2)c1=S 917474456 PTGLEVMUUVPCBM-UHFFFAOYSA-N 434.487 5.501 30 20 IKED N#Cc1ccc(OC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)cc1 919971297 CWSNJGDLVUGWAQ-UHFFFAOYSA-N 430.261 5.150 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccc(-n3ccc(O)n3)cc2)cc1Cl 1168913965 IGWQIYXNEUHQLU-UHFFFAOYSA-N 430.851 5.148 30 20 IKED CO[C@H](CN(Cc1ccc(C#N)cc1)c1ccc2nc(O)[nH]c2c1)c1ccc(Cl)cc1 1657632350 TWDQFVJAHSJWJU-HSZRJFAPSA-N 432.911 5.188 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)Cn3ccc4c(F)cccc43)cc2)CCC1 1786107474 PAISSTRAUINRGQ-UHFFFAOYSA-N 445.538 5.108 30 20 IKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3occ(Cl)c3c1)C2 1793051507 HEYSYHBLJDDMDR-REPLKXPHSA-N 426.944 5.106 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c(C(C)(C)C)c2)[nH]n1 1819303637 MABWCGOPJIJJME-QUCCMNQESA-N 437.588 5.110 30 20 IKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)[nH]n1 1821986245 CFOGHRCKBSFVLD-XFKSJGNHSA-N 448.558 5.220 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3ncoc3c2)CC1 1828298103 QQQCADGEZQWICJ-JOCHJYFZSA-N 437.584 5.054 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2F)CC1 1831568667 HWTAEXBORNEUAS-HSZRJFAPSA-N 446.582 5.119 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(CC)cc2)cc1 10173577 PFPHBBRXYOAJPR-UHFFFAOYSA-O 429.609 5.639 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2cccc(C)c2)cc1 10173984 RDNYNZHVPQODDK-UHFFFAOYSA-O 425.599 5.410 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(C(C)C)cc2)[n+]2ccc(CC)cc2)cc1 11265363 UUMAJONEODPFFD-UHFFFAOYSA-O 431.625 6.273 30 20 IKED C=CCn1c(SCc2csc(-c3ccc4c(c3)OCO4)n2)nnc1-c1ccccc1 14067770 POFADINXILFXTE-UHFFFAOYSA-N 434.546 5.276 30 20 IKED N#CCC[C@@H](C#N)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1 15244841 XBUOIGJEIYDXDD-ZDUSSCGKSA-N 445.426 5.488 30 20 IKED N#Cc1ccc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)cc1 18524323 UCZVTMUZJALOEH-UHFFFAOYSA-N 434.908 5.086 30 20 IKED Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 30530000 XQGMFZGDDOOUJL-SFHVURJKSA-N 441.896 5.013 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2cnn(-c3ccccc3)c2)cc1Cl 46861558 LARWAHDOINDVTB-HSZRJFAPSA-N 426.907 5.362 30 20 IKED Cc1cc(C)c(CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C)c1 60663731 NFKHZPAGZQMCLP-JOCHJYFZSA-N 445.950 5.176 30 20 IKED N#CCCn1cc(C(=O)CSc2nnc(Nc3cccc(F)c3)s2)c2ccccc21 60721333 JUZOWZMDZLVMQQ-UHFFFAOYSA-N 437.525 5.264 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3C[C@@H]3c3cccc(Br)c3)s2)cc1 195747705 ZNXQTUIEMVDGQT-RTBURBONSA-N 438.350 5.110 30 20 IKED N#C[C@@H](NC(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1cccc(Cl)c1Cl 303414204 VSPFOKINXIFVTH-LJQANCHMSA-N 430.335 5.507 30 20 IKED CC(C)n1c([C@H]2CCCN(CC(=O)Nc3ccccc3SCC#N)C2)nc2ccccc21 303572439 NAKGOEPZEFXHJX-IBGZPJMESA-N 447.608 5.051 30 20 IKED CCc1nc(COc2ccc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)cc2)no1 303608372 LAPWSKXSACMHJA-UHFFFAOYSA-N 440.459 5.127 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Br)sc1Br 318452919 VEYJAPSDWYGQQO-UHFFFAOYSA-N 442.176 5.197 30 20 IKED Cc1ccccc1-c1cc(NC(=O)c2ncc(C#N)cc2Cl)n(Cc2ccccc2)n1 427930759 SJUUQASZLBPALJ-UHFFFAOYSA-N 427.895 5.079 30 20 IKED N#CCCn1ncc(C(=O)Nc2nc(/C=C/c3ccccc3)cs2)c1-c1ccccc1 428724022 VBOOSCNQIBVTLD-OUKQBFOZSA-N 425.517 5.343 30 20 IKED CC(C)(C)OC(=O)[C@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 429104984 QDJKNAYFFRIXAB-PXNSSMCTSA-N 439.943 5.191 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3ccncc3)CC2)cc1Cl 429439850 AHJKNWQYFUXGBO-HSZRJFAPSA-N 430.939 5.802 30 20 IKED CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2cccc(SCC#N)c2)c1 429843920 WVHWDXYGZDESHT-IBGZPJMESA-N 443.572 5.664 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1)c1ccccc1 432904495 MFSSLOZSXXOJTE-XMMPIXPASA-N 442.519 5.261 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)c1 433936482 KJYAJMSHTAVTKX-UHFFFAOYSA-N 436.471 5.317 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1nc(C2CCCCC2)cs1 435889350 NBLBSJHTNGNPQO-MRXNPFEDSA-N 445.679 6.314 30 20 IKED O=C(Nc1cccc(C#Cc2ccccc2)c1)N(CCc1ccccn1)Cc1ccncc1 436260052 LVYCXPRDXUWGLQ-UHFFFAOYSA-N 432.527 5.153 30 20 IKED Cc1cc(-c2cc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c3c(C)noc3n2)c(C)o1 436325327 NOUBFFIJHYEIRP-GGAORHGYSA-N 440.503 5.320 30 20 IKED COCCOc1ccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(C)c1 438664420 HWYQSBYBHNKJLZ-UHFFFAOYSA-N 435.455 5.467 30 20 IKED CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)s1 438672090 PCVYCIXGELBNOR-OAHLLOKOSA-N 438.528 6.042 30 20 IKED CN(C)CCCN(CCC#N)C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1 444387714 CDHMGVYGPPBUAX-UHFFFAOYSA-N 434.462 5.197 30 20 IKED Fc1ccccc1-c1cnc(CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)o1 444742654 JRPGOKPOPIKNEV-INIZCTEOSA-N 432.339 6.283 30 20 IKED C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC(n2c(C)nc3ccccc32)CC1 460395291 RSEFOHUQIKFXOK-UHFFFAOYSA-N 432.597 5.006 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)s2)cc1OC 464411483 MCEIFJXNPMRDEU-AWEZNQCLSA-N 447.438 5.040 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)Nc3ncccc3OCCCC#N)s2)cc1 466606105 FXCYPRMULJBZCG-SFHVURJKSA-N 449.580 5.729 30 20 IKED C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc2ccccc2c1OC(F)F 469021594 MTMIBGKCZBTCPX-KRWDZBQOSA-N 449.501 6.197 30 20 IKED C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469972800 KXRXAEKFKZMHKY-HNNXBMFYSA-N 427.957 5.042 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 476138821 IKKWRTPSDCEOSX-IBGZPJMESA-N 444.497 5.545 30 20 IKED CC(C)(C)CN(CCC#N)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 477767723 GZEHNOGSKWZJLC-UHFFFAOYSA-N 441.535 5.142 30 20 IKED N#CCN1CCC[C@@H](CNC(=O)[C@@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)C1 479893704 AVWBHXNSADLFHT-KKSFZXQISA-N 448.419 5.179 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)nnc1-c1ccccn1 481374707 NPEQTDUNKRFSBD-JOCHJYFZSA-N 441.560 5.307 30 20 IKED C=C(C)CN1CCC(NC(=O)N(C)[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 483741127 HTNCBLIOUYQAOS-QHCPKHFHSA-N 429.967 5.250 30 20 IKED CC1CCN(Cc2csc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)n2)CC1 486958011 YRYMNINATIONPV-UHFFFAOYSA-N 432.549 5.291 30 20 IKED Cc1ccc(-c2cnc(CCC(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)o2)cc1 487840966 LRRJGOXYWXMHJJ-UHFFFAOYSA-N 427.426 5.045 30 20 IKED CCOc1ccccc1Oc1ccccc1C(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 491835120 MVYMZSLTJVXCAK-UHFFFAOYSA-N 438.487 5.069 30 20 IKED CN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@@H](c1ccccc1)c1ncc[nH]1 492465127 NJOMLCUKJJWWHB-QHCPKHFHSA-N 426.451 5.074 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](c1ccc(C2CCCCC2)cc1)C(C)C 494073774 SPKSKDVBUSEPEE-MHZLTWQESA-N 434.628 5.907 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)cc1 504695619 QAKNCCLWOIGTCG-UHFFFAOYSA-N 439.540 5.265 30 20 IKED Cn1c([C@H](C#N)C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c23)nc2ccccc21 505317666 QLJSNBWVVPHIMU-MRXNPFEDSA-N 427.508 5.066 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3-c3nc(C(C)C)no3)n2)cc1 505433864 JVWSFEDORHSJBL-LJQANCHMSA-N 428.517 5.782 30 20 IKED N#C[C@H]1N(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CCC[C@@]12CCCCO2 505836855 DXSOMGKDOQCHPE-KNQAVFIVSA-N 448.350 5.035 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)NC3(c4ccccc4)CCCC3)s2)cc1 506782484 UBJOYZPMFDGYBY-UHFFFAOYSA-N 435.578 5.293 30 20 IKED C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC(Oc2ccc(C#N)cc2)CC1 507859120 IIYAVBJNWXPURN-OAHLLOKOSA-N 442.441 5.231 30 20 IKED Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)C2)cc1 507904155 IUQUAFQOWVABDD-JOCHJYFZSA-N 439.515 5.150 30 20 IKED CC(C)[C@H](CNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)cc1 508144669 FNNHKYFIKCIMRX-LPHOPBHVSA-N 444.000 5.086 30 20 IKED COc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1F 508244591 ABPUTRIBUHLFPD-HNNXBMFYSA-N 435.455 5.390 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](COCC(C)C)c2ccco2)cc1 508284991 GHYVCKAASFALNP-NRFANRHFSA-N 449.507 5.488 30 20 IKED N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1nc2ccccc2n1C(F)F 509559560 QHXKSHOVFKYQKZ-SFHVURJKSA-N 449.844 5.806 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1 511028547 KDDOXBUNDPIVJC-UHFFFAOYSA-N 442.563 5.394 30 20 IKED CCC1(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CCN(C(=O)c2ccccc2)CC1 511030419 RIYXHOMAJHKNKU-IBGZPJMESA-N 435.593 5.209 30 20 IKED COc1ccc([C@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C2CC2)cc1 511355432 OTYWNCXOGQJIFW-AREMUKBSSA-N 441.531 5.613 30 20 IKED O=C(NCc1nc([C@H](F)c2ccc(C(F)(F)F)cc2)no1)c1ccc(C(F)(F)F)cc1 512061923 NYFQAWWMVWZYBC-OAHLLOKOSA-N 447.310 5.096 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)C3(c4ccc(Cl)cc4)CCOCC3)c2)c1 512337232 HCQOQWFHMXFGDB-UHFFFAOYSA-N 446.934 5.478 30 20 IKED C=CCN(C(=O)c1cc(Cl)c(OCC(C)C)c(OC)c1)c1nc2c(s1)CCCC2 514596656 WQSCXWZOGCAYLS-UHFFFAOYSA-N 434.989 5.552 30 20 IKED N#C[C@H](C(=O)c1ccc(CSc2ccccc2)cc1)c1nc(-c2ccncc2)cs1 516767581 HCGCRUAFLXDYQJ-OAQYLSRUSA-N 427.554 5.987 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12)c1nc2ccccc2o1 517280395 MIHDDSORLFDIPT-LJQANCHMSA-N 447.450 5.304 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(OC3CCCC3)nc2)cc1 517379564 LXOIZNAYWFZWST-UHFFFAOYSA-N 443.572 5.497 30 20 IKED CCN(Cc1cccc(Br)c1)C(=O)Nc1ccccc1S[C@@H](C)CC#N 518756070 XFKQQXIOTQQNCT-HNNXBMFYSA-N 432.387 5.897 30 20 IKED CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 519028314 HLTGBJLWFRFERP-MRXNPFEDSA-N 431.517 5.428 30 20 IKED C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 519203694 NSSMRFSKXZRUTB-LJQANCHMSA-N 427.570 5.786 30 20 IKED CCOC(=O)c1c(C2CC2)csc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 520326152 PBHVLYDYWLYOQG-UHFFFAOYSA-N 433.489 5.113 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C 522466025 WQJZMQKKDPDPSO-DEOSSOPVSA-N 428.511 5.200 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 523949073 JLVGTFMHRWIVHU-UHFFFAOYSA-N 444.918 5.739 30 20 IKED CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 524028520 UXHKYTMZBWWLOT-LADGPHEKSA-N 437.559 5.250 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](CC(C)(C)C)c3ccc(Cl)cc3)CC2)o1 526999251 QYOXJJFGDUCCGF-IBGZPJMESA-N 428.964 5.018 30 20 IKED CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 532126120 VENKPHPQLLXFIF-KRWDZBQOSA-N 438.499 5.074 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1ncc(-c2ccccc2C)o1 533816037 RYMGZNAOZXQZFO-UHFFFAOYSA-N 436.512 5.438 30 20 IKED Cc1cc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)ccc1NC(=O)c1cccs1 535389036 FKYAXGKMMYFKGK-GOSISDBHSA-N 444.343 5.610 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(F)cc2OCC(F)F)cc1C 536968873 IUKYYXDABMJUOE-UHFFFAOYSA-N 442.441 5.116 30 20 IKED C=CCN(C(=O)NC[C@@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12)C1CC1 537858766 RONGWCCJEFOYRI-NRFANRHFSA-N 433.552 5.067 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CNC1(c2ccc(F)cc2F)CCCC1 539334388 VANLSGHPMSUPPP-INIZCTEOSA-N 429.536 5.214 30 20 IKED N#CCCn1cc(/C=C/c2nc(-c3cccc(NC(=O)c4ccco4)c3)no2)c2ccccc21 546318006 IYMVWJHTURWJFW-VAWYXSNFSA-N 449.470 5.621 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N[C@@H](CCC#N)c1ccccc1 551643016 ZNYFFZKNCSOWGR-SFHVURJKSA-N 443.391 5.911 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1 553769565 HCSMYGQIPZFKPN-PKOBYXMFSA-N 448.519 5.131 30 20 IKED CC(C)c1cccc(O[C@@H](C(=O)N2CCC(C#N)(c3ccccn3)CC2)c2ccccc2)c1 554537080 JRGQHXRKXLKCEG-AREMUKBSSA-N 439.559 5.409 30 20 IKED Cc1nn(CC(F)F)c(C)c1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 556576374 VRCKZXKVLAGNGM-UHFFFAOYSA-N 443.338 5.075 30 20 IKED N#CCc1ccccc1NC(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1 561797353 HRNRBAPMCJRKHU-UHFFFAOYSA-N 446.557 5.002 30 20 IKED C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H](C2CCOCC2)C1 564060029 NAIBJHIZEQAXMQ-QFIPXVFZSA-N 438.616 5.118 30 20 IKED N#CCn1c(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc2ccccc21 586838346 XVNLGKKJYROBMC-QFIPXVFZSA-N 441.453 5.081 30 20 IKED CSCC[C@](C)(C#N)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 589018844 HIFCOTLVCXNPCJ-LJQANCHMSA-N 435.958 5.165 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1nc2cc(F)ccc2s1 592973513 GQFPIXSLFOJXGV-CYBMUJFWSA-N 430.386 5.130 30 20 IKED CC(=O)c1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 599510539 WEFAOXXIBPVHEN-UHFFFAOYSA-N 429.423 5.079 30 20 IKED N#Cc1c(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)sc2c1CCCC2 603440520 TWTWTTAFCCVKKF-UHFFFAOYSA-N 434.418 5.094 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 603572844 HMAYDURPHZRPMM-GJZGRUSLSA-N 440.387 5.865 30 20 IKED CSc1ccc(Cl)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 603675195 KNEYWOIFAZWDRQ-IBGZPJMESA-N 427.356 6.623 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cncc4ccccc34)s2)c(C(F)(F)F)c1 603962411 VBZPZTZRNBOZPX-UHFFFAOYSA-N 438.434 5.425 30 20 IKED Cc1cccc(-n2ncc(C(=O)Nc3cccc(OCCCC#N)c3)c2C(F)(F)F)c1 603972039 FZLMPYMPPLMIIF-UHFFFAOYSA-N 428.414 5.134 30 20 IKED CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604003131 DSJDKOZLOOODNE-HXUWFJFHSA-N 428.532 5.863 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC(C)(C)[C@H]2c2ccccc2)cc1 604562195 IYSUAARVTARTQN-XMMPIXPASA-N 427.504 5.974 30 20 IKED O=C(Cc1cc(F)ccc1F)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 608107602 KNKWITXNUJBGDD-UHFFFAOYSA-N 443.290 5.028 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1 608812356 NZXKCTZSCLJSPJ-HXUWFJFHSA-N 425.488 5.231 30 20 IKED COc1ccc2c(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)coc2c1 609062077 VYMCIQWQSVUJHT-UHFFFAOYSA-N 426.472 5.382 30 20 IKED COCCSc1ccc([C@H](C)NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 609208335 DOYBJYUAZLZYOA-SFHVURJKSA-N 447.560 5.972 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cc4c(cc3Cl)OCCCO4)cc2)cc1 609498108 RVUIPTSACGROIC-UHFFFAOYSA-N 434.879 5.612 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)NCc3ccnc(Oc4ccccc4)c3)c2)c1 609643414 GYDSENCNYFLGIH-UHFFFAOYSA-N 435.483 5.255 30 20 IKED CC(C)(NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)C(=O)Nc1ccccc1 609724177 YGMRYRAGOUCMIV-UHFFFAOYSA-N 433.895 5.151 30 20 IKED COc1ccc2c(c1)OCC[C@@H]2NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 610334671 GFCGORPNYJCFEN-FQEVSTJZSA-N 433.439 5.144 30 20 IKED COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)N[C@H](C)c1cccc(C#N)c1)CCO2 610356300 OGPJHRBYPQNHAR-KBMIEXCESA-N 441.531 5.363 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c(Cl)c1 611092656 BLOKUOJLIXPKKE-UHFFFAOYSA-N 425.275 5.761 30 20 IKED CC(C)c1ccc(-c2nc(CC(=O)NCc3ncc(-c4cccc(C#N)c4)[nH]3)cs2)cc1 611282756 VMXTVKQFWPUHIE-UHFFFAOYSA-N 441.560 5.054 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)nnc1-c1ccncc1 613362070 IORXYAKYTVADKS-ZWKOTPCHSA-N 443.576 5.037 30 20 IKED CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 618853773 OOWUKCHQGZDGMI-XMMPIXPASA-N 445.542 5.129 30 20 IKED CS(=O)(=O)Nc1ccc(C(=O)/C=C\c2ccc(-c3ccc(C(F)(F)F)cc3)o2)cc1 726427153 FSZDGSVFRGWGGB-BENRWUELSA-N 435.423 5.233 30 20 IKED COc1ccc(/C=C/C(=O)c2sc(-c3ccc(F)cc3)nc2C)cc1OCCCC#N 727267948 XGJLUEAUSGHNPO-VZUCSPMQSA-N 436.508 5.845 30 20 IKED CC(C)[C@@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)S(=O)(=O)C1CCCCC1 728466149 PGPITQAUODHWRW-ZEQRLZLVSA-N 438.593 5.053 30 20 IKED C[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 728472566 DSHHJTZIOLEOQB-WIYYLYMNSA-N 449.551 5.116 30 20 IKED COCCOc1cccc(F)c1C(=O)/C=C/c1cccc(NC(=O)c2ccc(OC)cc2)c1 729240794 ZGWBRLSNTPNBFM-NTEUORMPSA-N 449.478 5.008 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2sc3cc(Br)ccc3c2Cl)c1 729890434 ZVPPWDVJFOZGRV-CQSZACIVSA-N 447.741 5.587 30 20 IKED CC(C)n1ncc2c(C(=O)OC[C@H](C#N)Cc3ccc(F)cc3)cc(-c3ccccc3)nc21 729894200 KINBZSXQPKVUIS-IBGZPJMESA-N 442.494 5.358 30 20 IKED COC(=O)c1ccc(/C=C2\CCc3nc(-c4ccccc4Br)sc3C2=O)o1 730435948 IQUCCHMJGPXXPT-ZHACJKMWSA-N 444.306 5.165 30 20 IKED Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)c2c1 730448644 QKNCCCQSIFJSDR-UHFFFAOYSA-N 447.523 5.853 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/Oc3cc(Cl)cc(Cl)c3C2=O)cs1 742437122 QVGSNRFFRRKJJH-GIJQJNRQSA-N 445.327 6.059 30 20 IKED Cc1ccc(OC[C@@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 743303790 BOGKAQZDKLERMQ-HXUWFJFHSA-N 429.520 5.229 30 20 IKED N#Cc1ccc([C@H](OC(=O)c2c(Cl)cccc2Oc2ccccc2Cl)C(N)=O)cc1 745551766 QLXNFCCYBDSQLI-FQEVSTJZSA-N 441.270 5.041 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN(Cc2cccc(C(F)(F)F)c2)C(C)C)c1=S 746045590 WMEFGDWCDNQWRB-UHFFFAOYSA-N 447.530 5.549 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3C[C@H](O)c3cccs3)cc2)c1 751006069 WWWFAFBPNAMEBD-KNQAVFIVSA-N 433.533 5.532 30 20 IKED C=C(C)COc1cccc(NC(=O)N(C)C2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)c1 752224619 MLIRYHBZDYLJAU-YOFSQIOKSA-N 429.561 5.036 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(C)[C@H](C)c2ccc(Cl)c(Cl)c2)cc1C#N 752304716 JAXFXDYFEUXQDR-GFCCVEGCSA-N 435.311 5.658 30 20 IKED CCOc1ccc([C@H](NC(=O)Cc2ccc(OCC#N)cc2)c2cccc(Cl)c2)cc1 752383176 XUTMCKKZVLTQFL-VWLOTQADSA-N 434.923 5.089 30 20 IKED Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)[C@@H](C#N)c2nc(C)cs2)cc1 757874857 TZAYBCDIBAHYME-LJQANCHMSA-N 429.570 5.969 30 20 IKED N#Cc1ccccc1COc1cccc(/C=C/C(=O)c2cc3c(s2)SCC(=O)N3)c1 758024053 BDHJYDCPESJJFD-CMDGGOBGSA-N 432.526 5.139 30 20 IKED N#Cc1cc(COC(=O)C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)ccc1F 758949725 DOBRYDMNVJYGDA-UHFFFAOYSA-N 445.490 5.068 30 20 IKED C[C@@H](NC(=O)Nc1ccc(F)cc1OCC#N)c1ccc(OCc2ccc(F)cc2)cc1 761665240 PZZOSYMMYABTFI-MRXNPFEDSA-N 437.446 5.329 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2Cc3ccc(Br)cc3C2)cc1 765139267 XJHZJHMTSPQIDC-JOCHJYFZSA-N 432.321 5.652 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NCc2nc3ccc(Br)cc3s2)cc1 775180390 WWLZAGZJBXJRPQ-UHFFFAOYSA-N 442.382 5.485 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)c3c(C)nn(CC(F)(F)F)c3C)n2)cc1 778296857 DCIPYGCFNOERNX-DYVFJYSZSA-N 446.498 5.474 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Cc1csc(-c2cc(Br)cs2)n1 780164925 QIEHBZITVNSQAU-LLVKDONJSA-N 448.367 5.106 30 20 IKED CCCn1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc2ccccc21 786928516 DELVMZRMKQBGIF-KRWDZBQOSA-N 427.476 5.327 30 20 IKED CC[C@@H](NC(=O)[C@H](C#N)C(=O)c1coc2c(C)cc(Br)cc12)c1ccccc1 787044125 FLXUPZLFWKWKHN-IEBWSBKVSA-N 439.309 5.094 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)c1cnc(-c2ccccc2)s1)c1ccc(Cl)cc1Cl 787054853 XXSAHVHTXMECHV-BLLLJJGKSA-N 444.343 5.317 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)CCc1ccccc1NC(=O)OC(C)(C)C 790890359 JSIMGHCMBJIZNC-UHFFFAOYSA-N 444.535 5.102 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1cnc2ccccc2n1 792104457 OXEDNSSPCVNZNE-INIZCTEOSA-N 438.434 5.191 30 20 IKED COc1ccc2c(c1F)C/C(=C\c1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)C2=O 809156649 MZSNTXKUZCXSGE-UKTHLTGXSA-N 442.899 5.451 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)s1 810114926 OCNDDKWGTFFFEH-HXUWFJFHSA-N 447.560 6.027 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)c1cccc(Br)c1 813060440 ZJEUZIGDKRFHDV-KUHUBIRLSA-N 427.342 5.025 30 20 IKED N#C[C@H](C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1cc(C(F)(F)F)ccn1 813212341 BRAOPNIHDFMJAD-FPOVZHCZSA-N 436.389 5.045 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)c1ccccc1 813216675 WTCMQPHGCHGOBB-ROUUACIJSA-N 447.457 5.323 30 20 IKED O=C(N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)[C@@H](F)c1ccc(C(F)(F)F)cc1 857500214 MGOMJBOCCSCOQX-GJZGRUSLSA-N 443.746 5.238 30 20 IKED N#Cc1ccsc1NC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 908101104 ULBKIBQXNSJGHY-UHFFFAOYSA-N 439.422 5.139 30 20 IKED COc1ccccc1-n1c(-c2cccs2)nn(CN(C)Cc2ccc(C#N)cc2)c1=S 914783317 URGKQWLTRPLBOH-UHFFFAOYSA-N 447.589 5.102 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCCOc1ccc(Cl)c(C)c1 916904244 ZBHMVWQEUZSATD-HXUWFJFHSA-N 426.944 5.280 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(SCc2ccccc2)cc1 916924337 BVKWFVVVVVHVTO-NRFANRHFSA-N 430.529 5.339 30 20 IKED CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916975142 AHYGVEKAMHREPO-UNMCSNQZSA-N 449.963 5.176 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(-c2ccccc2F)o1 917025933 JDEFWFPSKGAINP-UHFFFAOYSA-N 429.476 5.715 30 20 IKED CCc1cccc[n+]1/C(C(=S)Nc1ccccc1C#N)=C(/O)c1cc(C)c(C)c(C)c1C 917612465 SARKSUDCFSIBAZ-UHFFFAOYSA-O 442.608 5.965 30 20 IKED COc1cc([C@@H](C)NC(=O)c2ccccc2SCC#N)ccc1OCc1ccccc1 918645986 KQAIYQDOOYTPMJ-GOSISDBHSA-N 432.545 5.381 30 20 IKED N#CCc1cccc(C(=O)O[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c1 919313749 JKHVFSPOCSOZLE-NRFANRHFSA-N 438.405 5.308 30 20 IKED COc1ccc(C2(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CCOCC2)cc1 920222331 TZJVWCGCEULVCL-VWLOTQADSA-N 426.516 5.038 30 20 IKED COc1ccc(OCc2ccccn2)c(C=NNc2ncc(C(F)(F)F)cc2Cl)c1 921251924 VMJBPBATVYYIIB-UHFFFAOYSA-N 436.821 5.182 30 20 IKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)o1 1786493032 SROGREHYJTUGTO-QGZVFWFLSA-N 427.504 5.277 30 20 IKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3sc4ccccc4c3Cl)CCC2)cc1 1787887460 CZXXJCSYBZODLA-UHFFFAOYSA-N 437.952 5.606 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccc(C)cc3)cc2)CCC1 1788359748 MBBMRRAPYJCYAI-UHFFFAOYSA-N 437.543 5.218 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(OC)c3)cc2)CCC1 1790072837 JMXFJCWAWCORBU-UHFFFAOYSA-N 443.547 5.083 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4Cl)[nH]n3)cc2)CCC1 1790138204 SUHKLVAYORXCEO-UHFFFAOYSA-N 434.927 5.054 30 20 IKED N#CCC(=O)NC1(c2ccc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)cc2)CCC1 1790947816 DSNIECRGGDVPRJ-UHFFFAOYSA-N 438.487 5.089 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1 1791587527 NWKYHVMDHXWLSI-RSEQLOHWSA-N 429.564 5.075 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc4cc[nH]c4cc3F)CC2)C1 1804865608 YWSMASCMXOFZJN-UHFFFAOYSA-N 439.575 5.144 30 20 IKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2)[C@H](C)CC)[C@H]1c1cccnc1 1806454998 ZWQAWBVRXDHVOR-PYPDKIPXSA-N 447.623 5.130 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](CCC)n3cccc3)C2)CC1 1810937378 BFIIFSZXKKVABI-JOCHJYFZSA-N 427.633 5.053 30 20 IKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1 1812596433 QXMBMSOTYFATCH-FJIJXJHWSA-N 427.633 5.296 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3cc(C)[nH]c23)n[nH]1 1818649554 TXDZBSVWTWVVGO-QFIPXVFZSA-N 445.567 5.274 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ccncc23)[nH]n1 1819309231 PFUNVKRBLZLCPM-WMZHIEFXSA-N 443.551 5.032 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ncccc23)[nH]n1 1819554687 MYKXJNIUGJDLBL-JOCHJYFZSA-N 445.567 5.256 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)[nH]n1 1821923718 NQHWMGVBCSEWHN-DYVFJYSZSA-N 435.355 5.235 30 20 IKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)CC1 1824102528 AIBLEHJBDAWQPI-DNQXCXABSA-N 442.720 5.014 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3cnccc23)CC1 1829066603 LPXLGLLKKVIJKH-VWLOTQADSA-N 447.623 5.461 30 20 IKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC(C)C)cc2)CC1 1830693141 RKDIYFYBEPPKFB-DEOSSOPVSA-N 442.669 5.038 30 20 IKED CC(C)C1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)CCC1 1832494292 XQXLAKPIOQVNKV-SQJMNOBHSA-N 449.639 5.373 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2Cl)nnc1-c1ccc(Cl)cc1 10240146 DEJRYAGQDRTWAQ-CQSZACIVSA-N 447.391 5.407 30 20 IKED Cc1c(-c2ccccc2)sc(NC(=O)c2ccc(C#N)cc2)c1C(=O)N1CCCCC1 21900933 BTTHTMUUALAQLL-UHFFFAOYSA-N 429.545 5.474 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C 62905340 RAWUMQCIUHUBRS-UHFFFAOYSA-N 449.558 5.688 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cccc(COc2ccccc2)c1 63403134 QBOQIIXIOQHLSH-UHFFFAOYSA-N 431.492 5.072 30 20 IKED CN(C)C(=O)Sc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 111012434 JKXAZGXYZGGAOV-UHFFFAOYSA-N 433.558 5.735 30 20 IKED C=CCOc1c(Br)cc(CN[C@](C)(CC)c2nc(C)cs2)cc1OC 237062665 UTJADEDIIXBTEF-LJQANCHMSA-N 425.392 5.202 30 20 IKED C[C@@H](Nc1snc(Cl)c1C#N)c1nc(-c2ccc(Br)cc2)cs1 301954712 KUMJMVDHXHIPTB-MRVPVSSYSA-N 425.764 5.727 30 20 IKED N#Cc1ccc(SCC(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)cc1 303234343 ZOAGKLKFSFKOJS-UHFFFAOYSA-N 433.480 5.355 30 20 IKED CCOc1cc(/C=C/C(=O)c2c(Cl)nc3ccccn23)cc(Br)c1OC 303757495 GVLVPGVDPGFSHT-BQYQJAHWSA-N 435.705 5.054 30 20 IKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C#N)cc2Cl)cc1 430361454 ZGDWMXZEHDRMCW-UHFFFAOYSA-N 428.879 5.325 30 20 IKED COC(=O)C[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)c(F)c1 434222571 KGYPXFPRVIMEFE-SCLBCKFNSA-N 449.935 5.157 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 437503915 SOVPTVIGYTVTHE-UHFFFAOYSA-N 426.451 5.545 30 20 IKED CN(C(=O)c1cccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1)c1ccccc1 437814696 IRYHJLKOFYVXLE-RPBOFIJWSA-N 438.531 5.267 30 20 IKED COc1ccc(-c2ccc(CNC(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)cc1 438073614 LGYDKZNLRCAPET-GOSISDBHSA-N 431.561 6.078 30 20 IKED C[C@@H](COCC(F)(F)F)NC(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F 438369581 YYKQXRWCDAVONV-QMMMGPOBSA-N 440.356 5.152 30 20 IKED C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 439362876 WHHHRQZAJGYTQT-ZJSXRUAMSA-N 439.559 6.132 30 20 IKED CCCc1c(NC(=O)N2CCC(Nc3cccc(C)c3)CC2)cnn1-c1cccc(C#N)c1 439681052 HPQZTQUHDZUCLD-UHFFFAOYSA-N 442.567 5.113 30 20 IKED CCCc1c(NC(=O)CCCSc2ccc(OC)cc2)cnn1-c1cccc(C#N)c1 440105652 YMKAUNXKNDVQGS-UHFFFAOYSA-N 434.565 5.216 30 20 IKED C=CCCCN(C)C(=O)C(=O)Nc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1C 441976871 HZDIWNPPNYWNNR-UHFFFAOYSA-N 436.531 5.095 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N(CC(F)(F)F)[C@H]2CCCOC2)c1 446212361 UOJYZZUBDQXZHA-KRWDZBQOSA-N 438.833 5.187 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 447712899 HDDFMARIQBMOGF-UHFFFAOYSA-N 442.490 5.533 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1Cl 448379095 XYALPYMFNQCVRE-DNVKUUNQSA-N 448.998 5.476 30 20 IKED C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 460784038 QTGRSNQEPFHSTQ-GUNSETOZSA-N 428.989 5.109 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 460955720 GHBJXJSJOKPUOM-FOGNVHKLSA-N 446.979 5.249 30 20 IKED C[C@@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)Sc1ccccc1 466311520 JPNWGHHUAWTNFS-IBGZPJMESA-N 431.561 5.634 30 20 IKED Cc1ccc(-c2nnc([C@@H](C)Nc3cc(C(F)(F)F)ccc3SCCC#N)o2)cc1C 467757493 DYSWFYUFSMDMEQ-OAHLLOKOSA-N 446.498 6.551 30 20 IKED N#CCCCN1C(=O)CCc2cc(NCc3ccc(-n4cnc5ccccc54)cc3)ccc21 468989093 LSDXPNBBDBCJKL-UHFFFAOYSA-N 435.531 5.221 30 20 IKED Cc1nc([C@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)oc1-c1ccc(Cl)cc1 469065423 RYXJMICRCMZXEP-KRWDZBQOSA-N 448.954 6.060 30 20 IKED Cc1ccc(C(F)(F)F)cc1NC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F 470235650 BEKRTAQVHSLSNG-UHFFFAOYSA-N 432.299 5.005 30 20 IKED N#C[C@@H](C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)c1nc2ccccc2n1C(F)F 472374970 QJZRREMUOSVTHV-AWEZNQCLSA-N 445.351 5.126 30 20 IKED CCc1nc(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)n[nH]1 473490344 RRGOXDQEVGVXGO-QGZVFWFLSA-N 433.924 5.301 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)cc1 473758688 CUVDQAKJBNYQBD-UHFFFAOYSA-N 446.378 6.008 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3cccs3)C2)cc1Cl 473780715 WEJZCWHAVUDGRH-PZJWPPBQSA-N 437.952 5.662 30 20 IKED COCCOC1CCC(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 475015818 KNRAUOMZBKYOPA-UHFFFAOYSA-N 428.916 5.164 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(F)c(I)c1 477118985 ZWPGNZJQSXWEJO-LLVKDONJSA-N 440.281 5.077 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)Nc1ccc(F)cc1C(F)(F)F 477590712 SIXJRFIFMSEECM-MRVPVSSYSA-N 426.336 5.103 30 20 IKED Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 479543706 QGPUADKFERJGQI-UHFFFAOYSA-N 429.545 5.865 30 20 IKED CCn1c2ccccc2c2cc(NC(=O)Nc3ccc(S(=O)(=O)[C@H](C)C#N)cc3)ccc21 480997464 IQNQHLPEIVAZQR-MRXNPFEDSA-N 446.532 5.144 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccccc2OC(C)(C)C)nnc1-c1ccco1 482187432 XBPLVDMNZJRFHT-UHFFFAOYSA-N 426.542 5.022 30 20 IKED C[C@@H](c1c(F)cccc1F)N(C)C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 482369522 GQWGEAMWJFSTOC-QFYYESIMSA-N 438.343 5.572 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N2C[C@H](C)C[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 483012087 FEPKBSNWWUCSKU-FOIQADDNSA-N 431.458 5.236 30 20 IKED Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2ccc(C(C)(C)C#N)cc2)n1C 483638985 SUKOLAKEEQSIBH-UHFFFAOYSA-N 437.341 5.212 30 20 IKED CC1(C)CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC[C@H]1C(F)(F)F 484182673 XXMJJRPGPBFDDB-OAQYLSRUSA-N 445.485 5.774 30 20 IKED COc1ccccc1CCC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 487387498 KTHOWHDZKIEMQY-UHFFFAOYSA-N 445.466 5.204 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCc1csc(Cc2ccccc2)n1 489692221 RTPMKJWQGAEUQQ-UHFFFAOYSA-N 434.590 5.383 30 20 IKED N#Cc1ccccc1-c1ccc(CS(=O)(=O)Cc2coc(-c3ccc(F)cc3)n2)cc1 494687879 DLBMNUHSDLJSJY-UHFFFAOYSA-N 432.476 5.134 30 20 IKED N#C[C@@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccccc1Cl 499954806 FKMXRYLVLFJHIA-QGZVFWFLSA-N 429.701 5.016 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)CC2)cc1 503903718 XDZUURRGPUKESY-UHFFFAOYSA-N 431.495 5.810 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@]1(Cc2ccc(Cl)cc2)CCOC1 505325989 QZNCKMXXGWLGCC-ZHRRBRCNSA-N 429.973 5.258 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCCCC[C@H]2c2ccncc2)cc1 508237776 ALZAHVJRCFVXCK-QHCPKHFHSA-N 442.519 5.903 30 20 IKED N#Cc1ccc(-c2ccccc2)nc1SCc1nnc(-c2ccc(Cl)cc2Cl)o1 510179266 DYNSRWFLCUQTFX-UHFFFAOYSA-N 439.327 6.269 30 20 IKED COc1cc(OC)c(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(OC)c1 510906955 QOEADVHBVZZGND-UHFFFAOYSA-N 447.491 5.007 30 20 IKED CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 512132479 SHBPNDLUMFECNJ-PGRDOPGGSA-N 449.620 5.245 30 20 IKED N#C[C@H](C(=O)c1ccnc(OCc2ccccc2)c1)c1nc(-c2ccc(Cl)cc2)cs1 512488348 HELZHWWGIGAJBF-HXUWFJFHSA-N 445.931 5.928 30 20 IKED N#Cc1ccc(OC2CCN(Cc3nnc(-c4c(Cl)cccc4Cl)o3)CC2)c(F)c1 512841940 WRLFJFCUURZTFF-UHFFFAOYSA-N 447.297 5.098 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1OC 512963808 IYTXEULCZWPARL-HNNXBMFYSA-N 427.913 5.146 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc(-c2ccc(F)cc2)nc1C 515171759 IZENXWGDYNRGEG-UHFFFAOYSA-N 444.491 5.877 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NC2CCC(c3ccccc3)CC2)cc1 516305153 GIDWFWJHMMNRKS-UHFFFAOYSA-N 439.515 5.132 30 20 IKED C[C@@H](C#N)CSc1ccccc1NCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 520827442 CTASMWAABJYAGU-QMHKHESXSA-N 439.581 5.457 30 20 IKED CN1CCC(Nc2ccccc2NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 521118749 LSFVCXYSORCTJX-UHFFFAOYSA-N 440.547 5.303 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 521730607 RANDQJVNSJVGFU-KGLIPLIRSA-N 448.375 5.237 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 522602142 VVGOPKZPEGDMBS-UHFFFAOYSA-N 440.590 5.083 30 20 IKED CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 532384902 GYIZUHIQBQXNKD-SFHVURJKSA-N 435.524 5.326 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCSC[C@H]1c1ccc(Cl)cc1 533300929 WWQYPLOHYLKYPF-JXFKEZNVSA-N 446.041 5.463 30 20 IKED C=C[C@H](CC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1)c1ccccc1 533886602 VCWDKENXZBFPAM-WXTAPIANSA-N 433.573 5.599 30 20 IKED C[C@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)c1cccc(C(=O)c2ccccc2)c1 536552315 YAPVHQPYAIWPHJ-KSFYIVLOSA-N 447.332 5.165 30 20 IKED C=CCN(C(=O)NC[C@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12)C1CC1 537858767 RONGWCCJEFOYRI-OAQYLSRUSA-N 433.552 5.067 30 20 IKED COc1cc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCc1cccc(C#N)c1 539378144 XYQSCXKRIBRMIY-GOSISDBHSA-N 431.492 5.213 30 20 IKED CCN1CC[C@H](NCc2ccc(OC)c(OCCCC#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 540202610 VRJDGIMVPHTPPV-URXFXBBRSA-N 445.966 5.095 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 542952078 OXQUXAVMZISFHB-WOJBJXKFSA-N 439.437 5.581 30 20 IKED Cc1cc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)nn1[C@@H](C)C1CC1 544263406 HSZCLPZRJMQQCU-SFHVURJKSA-N 431.515 5.408 30 20 IKED O=C([C@@H]1CC[C@H](C(F)(F)F)C1)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 552533665 WRKMBSATNJDANY-OLZOCXBDSA-N 427.360 5.351 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](C)CC(=O)c1cccc(Br)c1 553439900 RNRAZGRCPYKCFG-KRWDZBQOSA-N 446.389 5.040 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)c3cc(Cl)cc(F)c3Br)n2)cc1 560002294 HUYROSRYYSTDCJ-UHFFFAOYSA-N 436.693 5.489 30 20 IKED CC(=O)Nc1ccc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1Cl 561028965 GTRKXYDFKUXTJN-UHFFFAOYSA-N 445.350 5.069 30 20 IKED N#Cc1cnc2c(F)c(F)c(F)cc2c1Oc1ccc(S(=O)(=O)c2ccccc2)cc1 561133855 XTTULPMKVVYQAE-UHFFFAOYSA-N 440.402 5.149 30 20 IKED CC(C)Oc1ccc(-c2noc(CCOCC(F)(F)C(F)F)n2)c(C(F)(F)F)c1 573015227 WYTUKCLZXJBPJT-UHFFFAOYSA-N 430.320 5.002 30 20 IKED COc1cc(OC)c2ncc(C#N)c(Sc3nnc(-c4ccc(Cl)s4)o3)c2c1 587983877 CIFNHKPMLIGLBY-UHFFFAOYSA-N 430.898 5.040 30 20 IKED C=CCn1c(SCc2nc(-c3ccsc3)oc2C)nc2cc(Cl)ccc2c1=O 588349683 NRGVZVLNEDXXRH-UHFFFAOYSA-N 429.954 5.553 30 20 IKED N#Cc1cccc(COc2cccc(NCC(=O)Nc3cc(Cl)ccc3Cl)c2)c1 604006983 HQLJNBVLADSAMT-UHFFFAOYSA-N 426.303 5.495 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc2ccccc2n1C(F)F 604461358 IKDBGJUVXGNXGS-OAHLLOKOSA-N 447.445 5.978 30 20 IKED COc1ccc(CN[C@H](c2ccc3c(c2)CCCC3)c2cccs2)cc1OCCCC#N 604512410 FCCYLVJFXKEXKH-HHHXNRCGSA-N 446.616 6.197 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)cc1Cl 608994888 VSYUIYQADSQALU-LADGPHEKSA-N 449.913 5.740 30 20 IKED COc1ccccc1Oc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 609055924 WXJHGDNJMAIOQS-UHFFFAOYSA-N 440.455 5.783 30 20 IKED CCC(CC)CN(CCC#N)C(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1 609307867 LCDOEJNEWJARDD-UHFFFAOYSA-N 446.389 5.524 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1 609427864 YKSLXSGIQBZFOW-QHGAOEGBSA-N 427.614 5.275 30 20 IKED C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 609927765 LWXHZGWOXJCQEA-AUSIDOKSSA-N 443.522 5.881 30 20 IKED Cc1ccc(C)c([C@H](C)N(C)C(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 609943022 ALMMKLJFZWHLSC-IBGZPJMESA-N 427.504 5.126 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](C#N)c2ccc(Br)cc2)c1 610195409 ZNCOZNPYJIAFBI-GOSISDBHSA-N 448.748 5.082 30 20 IKED CO[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1Cl 610791642 QRPXYPRLTHNURT-JOCHJYFZSA-N 436.964 5.621 30 20 IKED COc1ccc(CN(C)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OC 611856313 WNNNLGWYQGCJMX-SFHVURJKSA-N 429.520 5.145 30 20 IKED COc1ccc2cc(CN(C)C(=O)NCC#Cc3cccc(C(F)(F)F)c3)ccc2c1 612314677 XAKBYZWESMXPQY-UHFFFAOYSA-N 426.438 5.060 30 20 IKED N#Cc1ccc(CN[C@H](CC(F)(F)F)c2ccc(Br)cc2)c(OC(F)F)c1 612536451 SPQHZWQRQDXSLO-OAHLLOKOSA-N 449.217 5.705 30 20 IKED O=C(Nc1ccc(-n2cccn2)c(F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 613085740 HEVNVFXKWVUHBA-GHMZBOCLSA-N 438.347 5.042 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)cc1 615518064 AFZUUPBBAGKDOT-FQEVSTJZSA-N 442.357 5.028 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(Cn2cccn2)c1 623753501 DQIMZFRBWRISSE-UHFFFAOYSA-N 443.320 5.053 30 20 IKED O=C(CC(F)(F)F)Nc1ccc(NC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)cc1 669895661 ZNZPRVGEKRMZGA-UHFFFAOYSA-N 426.263 5.127 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Oc2cccc(NC(=O)c3ccccc3)c2)c1 726501698 AIIVZDXRTGAXPW-UHFFFAOYSA-N 438.439 5.202 30 20 IKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(C)ccc2C)cc1 726570841 LYLAEROGEBXLKU-UHFFFAOYSA-O 434.972 5.748 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(Cc3ccc(F)cc3)n2)cc1 727038610 MIRGATUFLUVIPA-YWZLYKJASA-N 435.524 5.348 30 20 IKED CC(C)(C)c1cc(NC(=O)CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)on1 728051680 BQXJQXSZBMDCEN-UHFFFAOYSA-N 438.915 5.127 30 20 IKED Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(C)c1 728668872 CKBUYUDRIVKNEA-LJQANCHMSA-N 428.488 5.460 30 20 IKED CCN(CC)c1ccc(-c2nn(CN(C)[C@H](C)CC#N)c(=S)n2-c2ccccc2)cc1 728902146 ISAOIONPSJZSNE-LJQANCHMSA-N 434.613 5.108 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cc1 730274494 RANPAJUCOOWKQK-VWLOTQADSA-N 430.479 5.075 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)ccc1F 730476702 CPVBYNRNPBFOQO-UHFFFAOYSA-N 448.454 5.484 30 20 IKED N#C[C@@H](C(=O)CCCCOc1ccc(Br)cc1)c1nc2ccccc2s1 731287999 MKFKEBARMLYCQO-INIZCTEOSA-N 429.339 5.484 30 20 IKED CCCOc1nc2ccccc2cc1/C=C\C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 731774127 LQUKGLJWIAHOTM-CNRGFGOASA-N 431.492 5.662 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(-c4cn5c(n4)CCCC5)c3)cc2)nc1 731977387 QGWCKEWMPCKVBS-UHFFFAOYSA-N 435.487 5.198 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)NCCSCc2cccc3ccccc23)c1 733801438 IWBKAWDDIFDXJH-JOCHJYFZSA-N 433.577 5.253 30 20 IKED N#Cc1ccc(-c2cccc(CNCc3cc(Br)c4c(c3)OCO4)c2)s1 740011774 SOKDWVYXMMMPJA-UHFFFAOYSA-N 427.323 5.068 30 20 IKED Cc1ccccc1CN1CCC(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 740031127 AJJLWTUCRWOYSV-UHFFFAOYSA-N 444.604 5.059 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@](C)(C#N)CCc2ccccc2)c(Cl)c1 740825412 LGYITZPKJVXWSM-QHCPKHFHSA-N 427.932 5.332 30 20 IKED COc1ccc(/C=C\c2nc(C)c(C(=O)/C=C/c3ccc(OC)c(C#N)c3)s2)cc1C#N 741848520 NWXSOAWDDYYMEV-HYPVGTFXSA-N 441.512 5.279 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)[C@@]3(Cc4ccc(Cl)cc4)C[C@H]4CC[C@H]3C4)o2)cc1 745056624 FVTLDXIYTVAKIQ-KHOMTPLRSA-N 447.922 5.354 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 747112072 WBCYYCCWPQKCTQ-XDHUDOTRSA-N 428.536 5.023 30 20 IKED O=C(c1nc(C2CC2)n(-c2ccccc2Cl)n1)N1CCCSC1=Nc1ccccc1 748604798 NEWRFGJFQWEOKO-UHFFFAOYSA-N 437.956 5.065 30 20 IKED CON=Cc1ccc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cc1 748723418 FLQCVPZVKZVRSF-UHFFFAOYSA-N 428.319 5.211 30 20 IKED C=CCOc1ccc(C(=O)c2ccccc2)c(OC(=O)c2csc([C@@H]3CCCO3)n2)c1 756509290 NSFHOIDSLPHPBZ-FQEVSTJZSA-N 435.501 5.010 30 20 IKED C=CCn1c(-c2ccncc2)nn(CNC2(c3cccc(Cl)c3)CCCC2)c1=S 764131781 CERDFIQSRGCMPA-UHFFFAOYSA-N 425.989 5.332 30 20 IKED C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1 766001363 HOURTMRUFDNLLJ-OALUTQOASA-N 435.955 5.877 30 20 IKED C[C@@H](OC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)Nc1ccc(Cl)cc1Cl 769546595 NRNXGWVHTWHHRR-CQSZACIVSA-N 444.318 5.436 30 20 IKED Cc1cnccc1OC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 772229591 GUONTOGDQFTITA-DEOSSOPVSA-N 426.520 5.121 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(NC(=O)OC(C)(C)C)c(C)c3)n2)cc1 772554201 NILAUPXQNQHOHB-LJQANCHMSA-N 447.560 6.264 30 20 IKED Cc1nnc(CON=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)s1 773179793 AIZWBDUQBJICOF-UHFFFAOYSA-N 445.544 5.555 30 20 IKED Cc1nnc(SCc2c(C(=O)OCc3ccc(CC#N)cc3)oc3ccccc23)s1 776216102 MWGNCKDOVCJIMN-UHFFFAOYSA-N 435.530 5.308 30 20 IKED C[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1cc2cc(Br)ccc2o1 777114995 MXSRBJWSNQQODL-CQSZACIVSA-N 440.341 5.201 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)cc1 789964506 ALDHMAIRGOSYNA-OAHLLOKOSA-N 432.480 5.051 30 20 IKED C[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 795252403 OUWAMWGILHOYKO-HNAYVOBHSA-N 427.932 5.095 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(SCc3ccc(Cl)cc3C#N)o2)C1 795259537 RVGHNICTEWASMB-CYBMUJFWSA-N 434.949 5.001 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnn(Cc3ccccc3)c2Cl)cc1 796793200 PKEQVHGYBYKPGG-JXFKEZNVSA-N 434.927 5.059 30 20 IKED COc1cc2c(cc1NC(=O)[C@H]1CCN(c3ccc(C#N)cc3F)C1)oc1ccccc12 804188082 JNLLWKQBBMJITP-INIZCTEOSA-N 429.451 5.070 30 20 IKED CN(CC(F)(F)Br)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 806211546 BUMOLBMDHWERFZ-HNNXBMFYSA-N 442.691 5.447 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\Oc3c(C)cc(Cl)cc3C2=O)cs1 811698613 SQXRXFRPUHUQLO-NVMNQCDNSA-N 428.872 5.545 30 20 IKED C#CCNC(=S)/C(=C(/O)c1cc(C)c(C)c(C)c1C)[n+]1cc(O)cc(-c2ccccc2)c1 811725730 YAHWQUYUAREWLJ-UHFFFAOYSA-O 443.592 5.014 30 20 IKED C[C@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccc(C(F)(F)F)nc1Cl 816760700 DMSAQFWLEXIGPI-ZDUSSCGKSA-N 447.848 5.022 30 20 IKED C[C@H](CC(=O)N[C@@H](CCCC#N)c1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 817319043 JYXSVNDICRVELW-HJNYFJLDSA-N 427.589 5.211 30 20 IKED N#CCSc1ccccc1C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 875015134 FBVVILXFAHQJRG-UHFFFAOYSA-N 433.480 5.621 30 20 IKED CC(=O)Nc1cccc(C(C)=NNc2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)c1 916316474 CLAZXVDQIKLKOM-UHFFFAOYSA-N 449.576 5.437 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=Nn1c(S)nnc1-c1ccccc1F 916319887 RHTBOISTCPMSGT-UHFFFAOYSA-N 447.326 5.056 30 20 IKED CCC(CC)[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 918427272 HCQATUKTSYJNKO-UIOOFZCWSA-N 439.559 5.574 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(Br)c3c(c2)OCO3)cc1 919815062 ORGCCCWFYFBQIW-GOSISDBHSA-N 435.277 5.086 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccsc2)cc1 919867628 FBPNTEINDCFYLY-UHFFFAOYSA-N 445.544 5.067 30 20 IKED N#CC1(C(=O)OCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)CCCCC1 920673080 IGOLXVIRXDKWFV-UHFFFAOYSA-N 426.925 5.487 30 20 IKED C=CCCO[C@@H](C)C(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1 921217236 KMPJYUHFIWWCQW-HNNXBMFYSA-N 436.961 5.122 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)c(C(F)(F)F)c3)CCC2)cc1 1785937767 VDPOADKSNFOKIQ-UHFFFAOYSA-N 447.432 5.142 30 20 IKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@]3(F)Cl)cc2)CCC1 1791672419 ILFHNYVPTXQGMQ-AUSIDOKSSA-N 449.042 5.096 30 20 IKED C/C=C(/C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792168719 FSNRDDUIYOUENU-DVZOWYKESA-N 431.536 5.059 30 20 IKED CC(C)(C)CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C#N)cc1Cl)C2 1801830326 GQMWPTLDSXVBSW-ACDBMABISA-N 444.019 5.460 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2sccc2Cl)[C@@H]1c1cccnc1 1802496670 RLZDEAWUNUWGBN-PKOBYXMFSA-N 446.016 5.109 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(CCC)cc2)[C@@H]1c1cccnc1 1810174543 NZZKPSHAUZLEEC-TWJOJJKGSA-N 445.607 5.122 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cccc(C)c3[nH]2)n[nH]1 1819022404 WTGRIPOUUBLVBI-JOCHJYFZSA-N 445.567 5.274 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3cccnc23)CC1 1823751921 DDDYSOIIRIAFQD-XMMPIXPASA-N 447.623 5.461 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2c(F)cccc2F)CC1 1830077261 IRZIUGGHFIASMT-HSZRJFAPSA-N 446.582 5.119 30 20 IKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)CC1)C(F)(F)F 1830424171 SPYVPDODMWXMHX-HXUWFJFHSA-N 442.566 5.331 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(OC)c2C)CC1 1832535798 RIESRTIKJDSYFJ-DEOSSOPVSA-N 438.612 5.005 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)cc2OC)CC1 1832583456 IRMIHLJZGPPTQH-QHCPKHFHSA-N 440.628 5.229 30 20 IKED CCn1c(SCc2ccc(C#N)cc2F)nc2scc(-c3cccs3)c2c1=O 11150461 OSTYDKIEWGUKKH-UHFFFAOYSA-N 427.551 5.509 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCc1csc(-c2ccc3c(c2)OCO3)n1 14091534 UHWSQJXVUWEUIN-UHFFFAOYSA-N 448.573 5.199 30 20 IKED N#CCc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 20053825 MMXPZTFAUKYFEK-UHFFFAOYSA-N 425.513 5.805 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccccc1CN1CCCC1 26321216 NIPRNGMCSPWITF-UHFFFAOYSA-N 427.573 5.235 30 20 IKED C=CCN(CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1)Cc1ccccc1 27777480 JYWVCOWNXXDGRC-JOCHJYFZSA-N 441.575 5.147 30 20 IKED C=CCn1c(SCc2csc(N(C(C)=O)c3cccc(C)c3C)n2)nc2ccccc21 39576197 CEEGQUYGKMWQLV-UHFFFAOYSA-N 448.617 6.273 30 20 IKED COCc1c(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)sc2cccc(F)c12 107567819 BZSABKSKNJUZDA-UHFFFAOYSA-N 438.402 5.252 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 303333774 WZHLNABDZAHXIQ-INIZCTEOSA-N 449.605 5.127 30 20 IKED Cc1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)ccc1OC1CCOCC1 303811368 YZXTUMZHOWFXIR-UHFFFAOYSA-N 444.556 5.828 30 20 IKED CCOc1ccc([C@@H](CNC(=O)c2cscc2C#N)c2c[nH]c3ccccc23)cc1OC 432042119 NNZLHUVVCNHNRM-LJQANCHMSA-N 445.544 5.070 30 20 IKED C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1Cc1cn(CCC#N)nc1-c1ccncc1 435129003 KODZHTXFZRKTBL-OAHLLOKOSA-N 426.351 5.285 30 20 IKED CC(C)Oc1ccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1C#N 435388726 GYHIHTQSUNUQLK-INIZCTEOSA-N 445.479 5.074 30 20 IKED CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 435856063 MDZMLKQSXZAPJS-LJQANCHMSA-N 446.620 5.441 30 20 IKED COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 437967097 YNXJSPRCKWZLIH-AHKZPQOWSA-N 441.531 5.306 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc(C2CCCCC2)no1 438221023 VUHKNESDKZEUSJ-MRXNPFEDSA-N 431.496 5.664 30 20 IKED CN(c1ccccc1)C1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 438678969 ABVBJHMYMGBYJS-UHFFFAOYSA-N 426.520 5.483 30 20 IKED CCCc1c(NC(=O)Nc2cn(CC(C)C)nc2C(F)F)cnn1-c1cccc(C#N)c1 439695213 XSVMKUVNUZLFQM-UHFFFAOYSA-N 441.486 5.131 30 20 IKED CCCc1c(NC(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)cnn1-c1cccc(C#N)c1 440089392 RBJIJVHMQFZCOG-INIZCTEOSA-N 444.564 5.006 30 20 IKED CN(C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[C@@H](c1ccc(Cl)cc1)C1CCCC1 440246475 WHFQQFXYXHGYFB-HXUWFJFHSA-N 430.335 5.193 30 20 IKED CC(C)c1nc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nn1-c1ccccc1F 442671158 LFWHJXVSZKTHEP-INIZCTEOSA-N 431.496 5.143 30 20 IKED C[C@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)c1cccc(C#N)c1 461987020 KAQXOTRIYHFPMD-KRWDZBQOSA-N 443.934 5.433 30 20 IKED C=CCOc1cc(OC)ccc1C(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C 463585641 ILHDTJXQZDZXHM-UHFFFAOYSA-N 431.492 5.465 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 463712757 PGXXJZPPZAGQNJ-DNQXCXABSA-N 425.536 5.190 30 20 IKED CCO[C@@H](C)c1nc(CN(C)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cs1 463995384 LICWHIPAPJHQEK-KRWDZBQOSA-N 435.549 5.371 30 20 IKED CN(Cc1nccn1Cc1ccccc1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 464270163 YYDMNGUDFLKJLO-UHFFFAOYSA-N 436.515 5.062 30 20 IKED C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1nc(C2CCCCC2)no1 464708282 RHSRBEAHSRUBOW-MRXNPFEDSA-N 432.549 5.631 30 20 IKED O=C(Nc1ccccc1CCC(F)(F)F)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 465486013 MFLRYUPHHSQNGO-UHFFFAOYSA-N 446.326 5.172 30 20 IKED Cc1c(C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)ccc(C(F)(F)F)c1F 467914128 NKIPHAXSZDFXOI-UHFFFAOYSA-N 431.311 5.610 30 20 IKED C[C@H]1C[C@@H](N(C)C(=O)c2cn(CCCC#N)c3ccccc23)CCN1Cc1ccccc1 469465941 CRNMFNPHBFIVGQ-GMAHTHKFSA-N 428.580 5.070 30 20 IKED CC(C)(C#N)c1ccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1 475649163 JXLISVOMESKQAY-HXUWFJFHSA-N 444.362 5.428 30 20 IKED CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C12CCC2 478599300 PXBQUUPGOVMOAF-BJKOFHAPSA-N 433.552 5.143 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc(-c4n[nH]c(C5CC5)n4)cc3)c2)c1 480739421 SMSIQMUEYZTDCH-UHFFFAOYSA-N 435.487 5.052 30 20 IKED Cc1ccc(-n2ncc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)c2C(C)C)cc1 481891160 PKDCSWJBLOZDMW-UHFFFAOYSA-N 437.503 5.615 30 20 IKED Cn1ccnc1Sc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 482012858 FRVQFOPCNZBICJ-UHFFFAOYSA-N 426.501 5.488 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)C[C@@H](c3ccccc3)C(F)(F)F)s2)cc1 482152441 LAQUYHCDEASHGA-INIZCTEOSA-N 448.495 5.377 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 482391837 LMDWMWXXOKBJNB-SFHVURJKSA-N 446.979 5.143 30 20 IKED N#Cc1cnc2c(F)cc(F)cc2c1NCc1ccc(Cn2cnc3ccccc32)cc1 488213618 FECSTNPXVUTSBH-UHFFFAOYSA-N 425.442 5.395 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1CCN(c2cc(Cl)ccc2C)C1 490760734 VBDWWKRHQVHVDV-HXUWFJFHSA-N 444.023 5.040 30 20 IKED C[C@H](NCc1cc(C#N)ccc1Br)c1cccc(NC(=O)c2ccccc2)c1 492608592 QJQFXTDVOKSFNI-INIZCTEOSA-N 434.337 5.424 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1nc2c(Br)cccc2s1 494162946 HPXQNYCCKQIVNI-UHFFFAOYSA-N 448.390 5.446 30 20 IKED Cc1cc(NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c(F)cc1Br 497429914 AYPTYLRWOGRXEX-UHFFFAOYSA-N 437.153 5.245 30 20 IKED N#Cc1ccc(CCC(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)cc1 502061271 LPFAQVPHSXHXPQ-UHFFFAOYSA-N 428.879 5.518 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccccc3Cc3ccccc3)CC2)c1 502671677 SFLJAESBHIYQGV-UHFFFAOYSA-N 438.531 5.032 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccc(Oc2ccccc2)nc1 503511183 YCUIUUOVSBGHBU-UHFFFAOYSA-N 437.524 5.827 30 20 IKED C[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(F)c1)c1nc(C(F)(F)F)cs1 504964768 COQXJERVNNKJPT-ZETCQYMHSA-N 431.333 5.125 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(Sc3nnc(C)s3)cc2C)cc1OC 505873568 YMAUYLLKEFTCFU-UHFFFAOYSA-N 427.551 5.132 30 20 IKED COc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21 509993071 RNSRTHXWAMGVIY-MRXNPFEDSA-N 432.343 5.030 30 20 IKED CCc1ccccc1NC(=O)CN(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 510665263 KIJHRMUOQCEHIZ-UHFFFAOYSA-N 428.492 5.015 30 20 IKED CCN(CC)C(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 511748779 UCTKAGPLBBFATP-INIZCTEOSA-N 439.487 5.060 30 20 IKED COc1cccc(CN(C)C(=O)N[C@@H](C)c2ccc(C#N)cc2)c1OCc1ccccc1F 512120281 FQOCLQLOMTYJMC-SFHVURJKSA-N 447.510 5.188 30 20 IKED CCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1OCC 512507891 DDHODFSYAXCWIM-IBGZPJMESA-N 431.517 5.359 30 20 IKED N#C[C@@H](C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccc(C(F)(F)F)cn1 513144280 SQKOYLUBNPTFAJ-CYBMUJFWSA-N 449.841 5.558 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N[C@@H](C)c1ccncc1F 513376832 JPGLBUKFWWAKJG-AWEZNQCLSA-N 438.528 5.050 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Br)nnc1-c1ccccc1 514958119 KLENWNVOCOPCDH-AWEZNQCLSA-N 443.370 5.013 30 20 IKED CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 517654109 LAXMSYZHLWQCTR-UHFFFAOYSA-N 447.922 5.589 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)c1cc(F)ccc1F 518038311 IYPFHZRUJJCICN-ZDUSSCGKSA-N 449.910 5.338 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3ncc(-c4ccccc4F)o3)cc2)cc1 519057789 RQRUVJSEPRVNPO-UHFFFAOYSA-N 427.435 5.716 30 20 IKED Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1ccccc1SC[C@H](C)C#N 519397515 IIDUKAVJEKDKFS-GFCCVEGCSA-N 439.400 5.119 30 20 IKED Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1NC(=O)c1ccncc1 520745515 NUNRTXCPAMXRMS-UHFFFAOYSA-N 432.483 5.433 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(Br)cc1 521796412 CUWIPRJXTFKNMT-AWEZNQCLSA-N 435.412 5.715 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3cccc(COCc4ccco4)c3)c2)c1 522314273 WENMCGUOWZYWKM-UHFFFAOYSA-N 438.483 5.699 30 20 IKED COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1 524013451 QGMGJSQRQKSSHQ-GOSISDBHSA-N 445.475 5.186 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@H](C)c1sc(-c2ccccc2)nc1C 525761181 ABOJLDQMDJZFQZ-IEBWSBKVSA-N 448.592 5.113 30 20 IKED Cc1cccc(CN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)Cc2ccco2)c1 533489455 VNXHAUOGRVQTPQ-HXUWFJFHSA-N 433.577 5.623 30 20 IKED C=CCN(C(=O)[C@@H]1CCC(=O)[C@@H](C)C1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 538194578 LSMDSBJIWVJHIN-PGRDOPGGSA-N 430.573 6.001 30 20 IKED CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N(Cc1ccc(C#N)cc1)C(C)C 539209282 ZFQQTNVSRVUNQF-IERDGZPVSA-N 444.373 5.017 30 20 IKED CC(C)N(Cc1ccc(NC(=O)N(CCC#N)Cc2ccco2)cc1)C[C@@H]1CCCCO1 539351237 KPFWSUHKQBYTBP-QHCPKHFHSA-N 438.572 5.007 30 20 IKED COc1ccc(CN2CCC[C@H]2c2ccc(Br)s2)cc1OCCCC#N 543413613 XDWFNHIMBPKKMJ-INIZCTEOSA-N 435.387 5.539 30 20 IKED N#Cc1ccc2c(c1)[C@H](NCc1ccc(NC(=O)CCCOc3ccccc3)cc1)CC2 554997671 PBNLACCNRDNLMZ-AREMUKBSSA-N 425.532 5.133 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3csc(-c4cccc(Cl)c4)n3)CC2)c(F)c1 557119298 BXHUBPWHHSPQRY-UHFFFAOYSA-N 441.915 5.158 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 558342554 KHHOCIVTFWEBFN-UHFFFAOYSA-N 429.524 5.738 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)NCCc1cnc(SC2CCCC2)nc1 577638936 DPDFXGSBPSCIIA-UHFFFAOYSA-N 428.561 5.022 30 20 IKED C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC([C@@H]2CCCO2)CC1 583643391 HABVLGNFNIJTEE-NRFANRHFSA-N 449.624 5.349 30 20 IKED CSc1ccc([C@@H](CNC(=O)CCCCCC#N)N2CCc3sccc3C2)cc1 588151667 GHBAUJMOWKLIPS-OAQYLSRUSA-N 427.639 5.160 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1 589740224 NCKJBTUEVWVARM-UHFFFAOYSA-N 425.916 5.848 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 603434946 IPMMDGSONDYXGN-UHFFFAOYSA-N 445.548 5.387 30 20 IKED N#Cc1cccnc1N1CCN(C(=O)Nc2cc(Cl)ccc2Sc2ccccc2)CC1 603649364 ARLQJEBYZCWQLY-UHFFFAOYSA-N 449.967 5.112 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)Nc2ccc(CC#N)cc2)cc1C 603650720 GINKFLCEZWIQEF-UHFFFAOYSA-N 449.558 5.886 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1nc2ccccc2n1C(F)F 603690111 IRUMUZBJISRHBZ-AWEZNQCLSA-N 448.433 5.373 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Oc4nccs4)c3)n2)cc1 606144971 GGSXIYHURVWDTC-SFHVURJKSA-N 428.498 5.421 30 20 IKED COc1ccc(OCCCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 609079252 REZUSPVYGYPWGO-UHFFFAOYSA-N 445.519 5.045 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1 609398554 AYIKUTGNQRSSRA-HNNXBMFYSA-N 433.499 5.810 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(-c4n[nH]c(C5CC5)n4)cc3)c2)c1 609643736 IEMGNROOBHJYBW-UHFFFAOYSA-N 435.487 5.052 30 20 IKED C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 609724784 LXPTUYBXFKOHCW-BXKMTCNYSA-N 432.907 5.606 30 20 IKED CCCN(C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@H]1CCc2ccccc21 609943185 KHMBQLUHXQMIPW-VWLOTQADSA-N 439.515 5.215 30 20 IKED CC[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(F)cc1F 610016707 NKQOUGTXKZRXPF-JOCHJYFZSA-N 434.446 5.362 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)c1C 610053801 PHTXTLBERCXESH-UHFFFAOYSA-N 441.535 5.132 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2CN2CCOCC2)cc1Cl 610111224 WVURZFONQHMKHE-XMMPIXPASA-N 445.950 5.080 30 20 IKED Cn1cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c(-c2ccccn2)n1 611186501 FEXJHXMBIYTNKK-UHFFFAOYSA-N 429.867 5.052 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCCc4cn(C5CCCC5)nc43)cn2)cc1 611556190 BSDCAHMUUIWHQN-QFIPXVFZSA-N 442.523 5.256 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)N1CCC[C@](C)(C#N)C1 612130261 ZANYVUKZFIVILF-VBKZILBWSA-N 447.402 5.277 30 20 IKED CCc1nc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cc2nc1CC 613315252 HYCUQKTZYNKOSS-GOSISDBHSA-N 426.545 5.677 30 20 IKED N#Cc1ccc(N2CCC[C@@H]2c2nc(Cc3c[nH]c4cc(Br)ccc34)no2)cc1 615133042 IGHWZPLQQHSSQZ-HXUWFJFHSA-N 448.324 5.117 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 615491428 FCUFJJXOUSLMFX-UHFFFAOYSA-N 435.421 5.413 30 20 IKED CC(C)(C)N(Cc1cccc(F)c1)C(=O)CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618450580 LPGSKPJYSDLEFF-GJZGRUSLSA-N 442.419 5.016 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(C)C)cc1 619210334 IQIJRDWGRBNZJS-UHFFFAOYSA-N 428.536 5.062 30 20 IKED O=C(Cc1ccc(OC(F)F)cc1)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 622485102 DQGZDIFUOMFZRW-HNNXBMFYSA-N 427.291 5.269 30 20 IKED O=C(Nc1nc(C(F)(F)F)cs1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642450218 UCZATIFBSWJHFS-PHDIDXHHSA-N 429.308 5.193 30 20 IKED O=C(Nc1ncc(Cc2ccccc2F)s1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 672856097 SPEUNTLJOJWTKQ-VXGBXAGGSA-N 441.372 5.078 30 20 IKED Cc1c(NC(=O)N2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cccc1OCC(F)(F)F 674564265 AMQMESJQYUGLHC-AOOOYVTPSA-N 438.290 5.141 30 20 IKED O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)C(=O)Nc1cccc(CC(F)(F)F)c1 682290399 HNWYZTFWGXKIFE-UHFFFAOYSA-N 440.290 5.023 30 20 IKED O=C(N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 684296238 DCQCGMKMQPKHGC-TTZDDIAXSA-N 426.376 5.234 30 20 IKED Cc1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2cc(C)c(C)c(C)c2C)cc1 726570102 RWZLVTMHAPUQCR-UHFFFAOYSA-O 446.596 5.023 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)c(C)cc2C)[n+]2ccc(CCC)cc2)c1 726573458 FCPCVOZWIBGXPW-UHFFFAOYSA-O 441.620 6.156 30 20 IKED N#CCCCOc1cccc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)c1 726736884 XUHZZFUIHIMLAJ-UHFFFAOYSA-N 432.336 5.105 30 20 IKED Cc1ccc(N(CCC#N)C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)cc1 726940083 GQOLYKQWPUPFOH-UHFFFAOYSA-N 430.360 5.915 30 20 IKED C#Cc1cccc(NC(=S)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(C(F)(F)F)c2)c1 727981229 GNEIEAODMPIGMT-GASCZTMLSA-N 433.499 5.109 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728299386 RKINJAUCVJDRHV-QGZVFWFLSA-N 433.483 5.114 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)c(Cl)nc1Cl 728812220 YPBJCTQWLDCBBO-PHDIDXHHSA-N 427.147 5.167 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)cc1 730136513 MNSSLLYNNMOZMV-FCHUYYIVSA-N 432.474 5.021 30 20 IKED Cc1cccc(COc2cccc(CC(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)c2)c1 730421774 PIRQOULFXPDISE-OAQYLSRUSA-N 430.504 5.742 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NC[C@@H](O)c3cccc(C(F)(F)F)c3)c2)cc1 730900757 WRRVYIZDJLESFV-OAQYLSRUSA-N 441.409 5.224 30 20 IKED C#CCN(C(=O)Nc1ccc(OC(C)C)cc1)[C@@H]1CCOc2ccc(Br)cc21 733622025 KEFQMUMFSNLMQG-HXUWFJFHSA-N 443.341 5.227 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)c1 734391647 JOEZSEIPZKNHFZ-KRWDZBQOSA-N 444.457 5.247 30 20 IKED Cc1ccc(-c2ccc(/C=C\C(=O)c3ccc(S(=O)(=O)CC(F)(F)F)cc3)o2)cc1 741843936 RQPJULWDYPSVHV-WQLSENKSSA-N 434.435 5.487 30 20 IKED N#Cc1cc(NC(=O)c2ccc(Oc3cccc(Cl)c3)cc2)ccc1N1CCC(O)CC1 743732725 MDZMJXJXEYPESV-UHFFFAOYSA-N 447.922 5.217 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1 744028568 KDRBEWDGURVEGT-QGZVFWFLSA-N 425.271 5.747 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H](C)c2ccc(Br)s2)cc1 744032523 GIKZSEPWWLNPSL-XEZPLFJOSA-N 433.371 5.475 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1Br 747109062 UTIRZHUIMNMTAT-CQSZACIVSA-N 439.281 5.033 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 752663658 WHMIXORJICYSAR-FPOVZHCZSA-N 441.000 5.197 30 20 IKED C=CCn1c(SCc2ccc(SC(=O)N(C)C)cc2)nnc1-c1ccccc1F 753062832 SIYDNNFKYJACMY-UHFFFAOYSA-N 428.558 5.336 30 20 IKED N#CC(CCOC(=O)c1ncccc1OCC(F)(F)F)(c1ccccc1)c1ccccc1 756464967 BYRPZNBZZBUJRC-UHFFFAOYSA-N 440.421 5.079 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(C)n2[C@H]2CCC[C@@H](C)C2)cc1 758170669 ZBWFDPOQMRVVSD-LQWHRVPQSA-N 425.602 5.074 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)CCCCNC(=O)OCc1ccccc1 760382918 VMKVNEBMOPZGHR-UHFFFAOYSA-N 433.533 5.322 30 20 IKED C=C[C@H](Cc1nc(-c2ccc(CNc3ccc4nc(O)[nH]c4c3)cc2)no1)c1ccccc1 762177106 OUVFTNHYOZTDQN-GOSISDBHSA-N 437.503 5.443 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/CCOc3cc(C)ccc3C2=O)cs1 763116620 LBBAHPNHVRAQEH-VBKFSLOCSA-N 438.936 5.838 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@](C)(O)c1cccc(Cl)c1 765179272 MCSMTBVRVRCDMI-RUZDIDTESA-N 449.938 5.128 30 20 IKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)/C(C)=C/c1c(Cl)cccc1Cl 766845587 FBSVYTSPTQFKIK-GDXASINISA-N 447.318 5.110 30 20 IKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 768140344 NSNQJWMLLHPGBQ-INIZCTEOSA-N 433.726 5.195 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)C1 769787156 PBBVFZRSKYNNBT-FCHUYYIVSA-N 433.596 5.121 30 20 IKED Cn1c(CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)nnc1-c1ccccc1 771685241 ZBXXSAZFXVOAEH-UHFFFAOYSA-N 429.911 5.198 30 20 IKED Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)Nc1ccc(OC(C)C)c(C#N)c1 772452007 CEUSOHIWNGRUQW-LJQANCHMSA-N 443.979 5.529 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1ccccc1Cl 776516167 KINAVOZPZJWSQG-HNNXBMFYSA-N 447.709 5.102 30 20 IKED N#Cc1cc(N[C@H]2CCCc3nc(-c4ccccc4)sc32)ccc1N1CCC(O)CC1 777116303 FFJUNYYUUDFQLA-NRFANRHFSA-N 430.577 5.132 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](CC2CCC2)c2ccccc2)cc1 778166842 GNDNUPQDYDTXJH-IZZNHLLZSA-N 437.543 5.328 30 20 IKED C[C@@H](OC(=O)c1csc(-c2cccc3ccccc23)n1)C(=O)Nc1cccc(C#N)c1 778191354 LSMYZNUURAKZRG-OAHLLOKOSA-N 427.485 5.019 30 20 IKED Cc1c(C#N)cccc1NC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 784085916 BFFZSHPWVSZCGS-UHFFFAOYSA-N 448.548 5.513 30 20 IKED COc1cccc([C@H](C)CC(=O)[C@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 787050581 PZRRDTRZTQPSIO-TYILLQQXSA-N 433.335 5.082 30 20 IKED C#CCn1ccc(CN(CC)C(=O)N[C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)n1 789183096 FXOJZVIDLYPMFZ-QFIPXVFZSA-N 441.362 5.144 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc3nc(-c4ccccc4)oc3c2)ccc1OC 793500465 FFKXIQAWYKOLKO-FQEVSTJZSA-N 441.487 5.114 30 20 IKED C=C(Cl)COc1ccc([C@H](C)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)cc1 793562504 VKLBHUBSMJMOQU-AWEZNQCLSA-N 447.906 5.091 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 796631285 YQEBJIUCSJQVEL-IBGZPJMESA-N 431.492 5.337 30 20 IKED N#C[C@H](C(=O)C1(c2cc(F)cc(Br)c2)CC1)c1nc2ccccc2n1C(F)F 796800674 FMLYWKVFICREAP-CQSZACIVSA-N 448.242 5.241 30 20 IKED N#Cc1ccc(N2CCC(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)CC2)c(F)c1 796810053 DQWPOWSSCGTJGT-INIZCTEOSA-N 438.915 5.053 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2cccs2)C1=O)Nc1ccccc1F 837520886 MTIGYHJLRPGTKA-IBGZPJMESA-N 439.537 5.048 30 20 IKED C=CCOc1ccccc1C(=O)OCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 913366688 SJMAQTDGFLPYOI-UHFFFAOYSA-N 449.117 5.661 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)cc1 915181338 YZPJBWFMFKUTMS-FGZHOGPDSA-N 429.545 5.037 30 20 IKED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 915482286 CQEIPKFVZRTMDI-QGZVFWFLSA-N 433.744 5.073 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccccc2F)ccc1OCC(=O)N(C(C)C)C(C)C 916135676 GSFUWBZOMPZBQL-QBFSEMIESA-N 427.516 5.145 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2ccc(Cl)cc2)cs1 916246611 FGIAVOCOPZWTKX-UHFFFAOYSA-N 438.862 5.946 30 20 IKED Cc1csc([C@H](C#N)C(=O)[C@@H](Oc2ccc(Br)cc2)c2ccccc2)n1 916844223 YQPFWWXKXORDLW-MJGOQNOKSA-N 427.323 5.211 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CSc2cc(Cl)ccc2Cl)cc1Cl 916939148 PRFPWRQUKYNLDG-GFCCVEGCSA-N 443.739 5.095 30 20 IKED Cn1c2ccccc2c2cc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)sc21 916944266 AJLPQDHZUBOZKO-MRXNPFEDSA-N 442.327 5.661 30 20 IKED Cc1ccccc1-n1ccnc1SCC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917045942 DHCNMOWYTUSECW-OAHLLOKOSA-N 438.965 5.412 30 20 IKED COc1ccc(OCc2nc(/C=C/C(=O)c3cnn(-c4ccc(F)cc4)c3C)cs2)cc1 920991197 CWDANOIQONAJKC-LFYBBSHMSA-N 449.507 5.260 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ccc4cc[nH]c4c3)cc2)CCC1)C(F)(F)F 1788913433 BLSCBCGTDKEVPG-UHFFFAOYSA-N 427.426 5.034 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4cc(C)ccn34)CCC2)cc1 1789625651 NCZYOZAVFSLUPV-UHFFFAOYSA-N 444.579 5.383 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(C(F)(F)F)ccn3)cc2)CCC1 1789828138 OYSGNPNRHQYKKU-OAHLLOKOSA-N 431.458 5.060 30 20 IKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)[C@@H](F)c4ccccc4)CCC3)cc2)c1 1790762181 WHFFGWJANHPIMK-QHCPKHFHSA-N 445.469 5.156 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@H](C)c3ccccc3)cc2)CCC1 1791339301 IUDBUKJJHDREJJ-PMACEKPBSA-N 435.568 5.115 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(Cl)c2)[C@H]1c1cccnc1 1810505538 XSRUKZCZWMCSCB-IRLDBZIGSA-N 439.987 5.047 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)cc2F)n[nH]1 1814580945 HYXSCSBVHVVESA-OXQOHEQNSA-N 444.938 5.277 30 20 IKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CC[C@H](CCC)CC2)n[nH]1)C(F)(F)F 1822100304 AYSILWDTOXPKNH-BQFCYCMXSA-N 440.510 5.127 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2ccco2)CC1 1823755080 KULJWVKJNBJETI-NZQKXSOJSA-N 428.617 5.070 30 20 IKED CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)CCCC1 1823847972 OQKMUSGDISMEDZ-JOCHJYFZSA-N 442.003 5.025 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cnc2Cl)CC1 1826191593 FMBBLZSRAKMSNE-UNMCSNQZSA-N 444.019 5.045 30 20 IKED CC(C)[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC#N)CC1)c1ccc(Cl)cc1 1826693362 PLYKHMAYDZHINB-ISKFKSNPSA-N 444.019 5.003 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccccc3o2)CC1 1828192992 QZGAHOUELWJKHV-PKTZIBPZSA-N 434.580 5.435 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(C)cccc3[nH]2)CC1 1828828914 USHQZNWVWGTZHG-ATIYNZHBSA-N 447.623 5.478 30 20 IKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC2CCC(C)(C)CC2)CC1 1830417107 QXDRZBNTUDUPIG-REWPJTCUSA-N 447.664 5.014 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)(C)C)cc2)CC1 1830600218 YXXXHAMVDWXTIO-GBXCKJPGSA-N 440.628 5.309 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)c2ccc(Cl)cc2)CC1 1831367027 DRMJTMXYPKKHMI-YCRNBWNJSA-N 431.020 5.275 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832631963 JSSDYTFENLWVSJ-RMUDUWAUSA-N 447.623 5.315 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)CC1 1832800782 YKRMESFNVKJUMD-ZIBCJSCZSA-N 442.566 5.187 30 20 IKED C=CCn1c(SCCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccccc1 9145308 IYEFZFBOEFTZLR-UHFFFAOYSA-N 443.370 5.015 30 20 IKED Cc1cc(C(=O)/C(=C(\S)Nc2ccccc2Cl)[n+]2ccc(N(C)C)cc2)c(C)s1 10827583 QATNJZWGLAARJL-UHFFFAOYSA-O 445.033 5.423 30 20 IKED C=CCn1c(SCc2cc(=O)oc3cc4c(cc23)CCC4)nnc1-c1ccc(OC)cc1 22299411 VEHWCRSGRHGQBO-UHFFFAOYSA-N 445.544 5.027 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)cc1)=C(/S)Nc1ccc(Cl)cc1Cl 22731064 PFLUAQRPLOPAGA-UHFFFAOYSA-O 444.407 6.203 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccc(OC)cc2)cc1 22731113 ZHQPCEXRWRIDPW-UHFFFAOYSA-O 425.961 5.249 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccccc2CC)cc1 22731377 OUUUPOZWCSPRKP-UHFFFAOYSA-O 441.523 5.264 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1sc2cc(F)ccc2c1Cl 32042154 ZBCADDZGJSMJDK-HTQZYQBOSA-N 447.803 6.333 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1 60535647 INGDSDMRBDLKPN-SANMLTNESA-N 439.515 5.252 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)c1ccc(C(F)(F)F)cn1 62675209 ZGNAIKXQWDMQLE-LLVKDONJSA-N 442.249 6.021 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 72020774 ULMFKAOWGYMONG-UHFFFAOYSA-N 436.515 5.033 30 20 IKED C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 105284212 NHAXBYRJNPZPLM-GFCCVEGCSA-N 447.010 5.475 30 20 IKED Cc1cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c2c(C(C)C)noc2n1 195691972 GDJFYOJSOGNEPM-UHFFFAOYSA-N 427.464 5.274 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCCN(Cc4ccccc4)CC3)cc2)cc1 302971717 DGSQDMGMOUAXGB-UHFFFAOYSA-N 426.520 5.090 30 20 IKED N#C[C@H](NC(=O)Cc1ccc(OC(F)(F)F)cc1)c1ccc(OCc2ccccc2)cc1 303303605 ZHCAFIHAULFIRH-QFIPXVFZSA-N 440.421 5.088 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1c(Cl)cccc1Cl 303333826 XBBUWFSRPCPOQC-ZDUSSCGKSA-N 425.406 6.117 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 410389912 NNWUZMFCKUHKOJ-UHFFFAOYSA-N 449.282 5.088 30 20 IKED COc1ccc(CN(CCc2ccccn2)C(=O)Nc2cc(C#N)ccc2OC(C)C)cc1 431987627 SPRQJNYBLGQUOD-UHFFFAOYSA-N 444.535 5.026 30 20 IKED C=C(C)COc1cccc(NC(=O)N(CCc2ccccn2)Cc2ccc(OC)cc2)c1 432060662 FVCSTGIWWHLFIQ-UHFFFAOYSA-N 431.536 5.322 30 20 IKED Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 432196696 SCBRGKSODFVVRF-GOSISDBHSA-N 442.302 5.042 30 20 IKED C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 432699228 NCMNLVUVZAJSCY-YWZLYKJASA-N 431.458 5.500 30 20 IKED C=CCC[C@H](NC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1)c1ccccc1 435105407 KQTVFBWKIGBVMT-NRFANRHFSA-N 430.470 5.416 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCC[C@H]4[C@H](C#N)c4ccccc4)cc3)o2)cc1 436338298 BTKKDQPGWTUVLJ-RPBOFIJWSA-N 448.526 5.624 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)Cc2ccc(Br)s2)cc1F 437458872 GZXFSBGJXWLKMW-UHFFFAOYSA-N 431.286 5.495 30 20 IKED C[C@@H](c1ccc2ccccc2c1)N(C(=O)Nc1ccccc1SC[C@H](C)C#N)C1CC1 438079250 XGUHLFWNGDKYHB-MOPGFXCFSA-N 429.589 6.849 30 20 IKED Cc1cc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1NC(=O)c1ccco1 438233093 FGXPVSSOPUWLQD-IFMALSPDSA-N 428.492 5.144 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2c(F)cccc2Br)cc1 438423103 SANORKPNCMZTLA-UHFFFAOYSA-N 429.220 5.644 30 20 IKED C[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 438530033 ABVSMLVHNWBIJR-OAHLLOKOSA-N 440.425 5.989 30 20 IKED CCCc1c(NC(=O)c2cc(Cl)ccc2OC(F)F)cnn1-c1cccc(C#N)c1 440099940 KPPJJCXOODPWQX-UHFFFAOYSA-N 430.842 5.204 30 20 IKED COCc1nc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c(-c2ccccc2)s1 440447468 VUVAPHJGFCILEU-UHFFFAOYSA-N 446.557 5.128 30 20 IKED C=CCC[C@H](NC(=O)N1CCC(CC(=O)OCC)CC1)c1ccc(C(F)(F)F)cc1 442306909 PFEMUYQJMPVZTG-IBGZPJMESA-N 426.479 5.088 30 20 IKED N#Cc1nc(N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)ccc1C(F)(F)F 443520554 ZSIUQMSKQIGGLS-ZDUSSCGKSA-N 433.821 5.059 30 20 IKED CS(=O)(=O)c1cccc([C@@H](NCC#Cc2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 443539664 OUMYHHGKNITDLM-QHCPKHFHSA-N 444.383 5.128 30 20 IKED CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccc(Br)s1 460172796 WMTKWINVKGMIMF-HNNXBMFYSA-N 428.359 5.002 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(CCc1nccs1)C(C)C 460775781 UFGJWJBBIANCSB-UNMCSNQZSA-N 437.613 5.013 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2ccccc2C(F)(F)F)on1 462055336 DJJGYGRRYMNSAD-CYBMUJFWSA-N 431.439 6.007 30 20 IKED N#CCCCOc1cccc(CN[C@@H](c2cc(F)ccc2F)c2ccccc2Cl)c1 462732819 FJAXURGXNJKVOT-XMMPIXPASA-N 426.894 6.180 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1Cl 462919143 NFLADKACXVXWMZ-HYBUGGRVSA-N 432.907 5.654 30 20 IKED Cc1nc(C2CCCC2)sc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 463296431 ULNHMDRDFLQNNN-UHFFFAOYSA-N 431.561 6.007 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)cc1Cl 463393758 QSJQOLKNIRYJFC-QHCPKHFHSA-N 443.934 5.525 30 20 IKED Cc1cc(-c2cc(C(=O)NCc3cc(C#N)ccc3F)c3cnn(C(C)C)c3n2)c(C)s1 464043927 AUDOERKOZUZSGH-UHFFFAOYSA-N 447.539 5.298 30 20 IKED CCn1ncc2c(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)cc(-c3ccccc3)nc21 464410548 MVQRCOXUECLGCQ-KRWDZBQOSA-N 435.409 5.022 30 20 IKED C=C(C)CN1CCC(NC(=O)N[C@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)CC1 465853645 AIZATTIECSTQEB-HSZRJFAPSA-N 445.579 5.116 30 20 IKED Cc1cc(CNc2ccc3c(c2)CCC(=O)N3CCCC#N)ccc1Oc1cccnc1 469247006 UHMTZOHHHKMBDA-UHFFFAOYSA-N 426.520 5.377 30 20 IKED COc1cc(Br)ccc1[C@H](C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 470362302 IYNQYPGIQKTOOG-KBPBESRZSA-N 448.386 5.735 30 20 IKED CCCCN(Cc1ccccc1F)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470536068 CLIIKFSQFIAEIJ-UHFFFAOYSA-N 436.531 5.243 30 20 IKED C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C[C@H](c2ccsc2)O1 470590124 DXRJXHPAYFHQNU-OYHNWAKOSA-N 437.496 5.545 30 20 IKED C=C(C)CN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1 470912346 FGCYBFBOXFAPQR-UHFFFAOYSA-N 425.985 6.059 30 20 IKED CCc1ccc(-c2noc([C@@H](C)NC(=O)Nc3ccccc3S[C@H](C)CC#N)n2)cc1 473828683 YKGUFFXLPQPFNT-HZPDHXFCSA-N 435.553 5.576 30 20 IKED CC(C)N(Cc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1)C[C@H]1CCCCO1 476557745 CRWNFAPLHLSQSH-AOYPEHQESA-N 433.596 5.492 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 478784327 AWEIDVDTFFDCBZ-INIZCTEOSA-N 445.510 6.278 30 20 IKED O=C([C@H]1CCC(F)(F)C1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 480936881 RNZPMINQURNPKQ-HZMBPMFUSA-N 431.323 5.060 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 481106896 MAIYLTCBCJTHBY-DQEYMECFSA-N 441.531 5.315 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 482115285 STZYBKNJHLOWDQ-CQSZACIVSA-N 441.457 5.169 30 20 IKED CCCCN(C(=O)c1cnn(C)c1C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 483101781 IGACPALCXGWIKK-UHFFFAOYSA-N 434.352 5.169 30 20 IKED C[C@@H](c1cccc(Br)c1)S(=O)(=O)Cc1ccc(-c2ccccc2C#N)cc1 486757441 WXTYJTPKBDFRAS-INIZCTEOSA-N 440.362 5.664 30 20 IKED N#C[C@@H](C(=O)c1ccccc1COC1CCOCC1)c1nc2cc(Cl)ccc2s1 487932338 RKNWPHCTTCLIRP-SFHVURJKSA-N 426.925 5.135 30 20 IKED C=C(C)Cn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccncc1 489406929 PPPGBXBTLDINTI-INIZCTEOSA-N 441.988 5.306 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1 494170248 CNDHPCFRLKSZSZ-UHFFFAOYSA-N 429.398 6.038 30 20 IKED CC(C)(C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)c1csc(-c2ccccc2F)n1 498946642 NOKBAGRDJRVUCQ-UHFFFAOYSA-N 449.486 5.062 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)Cc3csc(-c4cccs4)n3)c2)cc1 501414685 AVXAPMQKSUXKKR-UHFFFAOYSA-N 445.569 5.698 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)c1 502288828 YVFICCATLLVEBL-UHFFFAOYSA-N 444.491 5.031 30 20 IKED N#Cc1cn(CC(=O)c2ccc(C3CCCCC3)cc2)c2ccc(Br)cc2c1=O 502818260 SLUKQUHTUJHGPX-UHFFFAOYSA-N 449.348 5.566 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@H](c3ccccc3)c3cccnc3)c2)cc1 503290095 JSNDYZRLYFINEE-HHHXNRCGSA-N 448.526 5.638 30 20 IKED CCC[C@@H]1C[C@H](C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)CCO1 504076079 JTRNIHMXDPCVRR-HZPDHXFCSA-N 437.487 5.158 30 20 IKED CNC(=O)c1cccc(CSc2nc(-c3ccc(C)o3)cc(C(F)(F)F)c2C#N)c1 504533925 PEJWVWMWJUXBAI-UHFFFAOYSA-N 431.439 5.192 30 20 IKED N#CCCCCNC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 505081134 INTYTRYMYWGDAF-UHFFFAOYSA-N 446.498 5.006 30 20 IKED Cc1noc(COc2ccc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)cc2)n1 510592797 ORGGKOGBDPCCQW-UHFFFAOYSA-N 444.422 5.012 30 20 IKED COc1ccc(CCCCC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 511668558 VGWDYIIAHLBTFL-UHFFFAOYSA-N 438.578 5.062 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCCOc2ccc(C(C)=O)cc2)cc1 512541108 RAQNOJPDYKRPMQ-UHFFFAOYSA-N 444.487 5.359 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2ccccc2OCc2ccc(Br)cc2)n1 513656120 XZABOXFYWCQVIJ-QGZVFWFLSA-N 427.323 5.283 30 20 IKED CC(C)(NC(=O)c1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 513715064 LFPLRYGLBACNMX-OAQYLSRUSA-N 431.923 5.143 30 20 IKED C=CCOc1ccccc1CN(C(=O)C[C@@H](C)c1c(C)noc1C)c1ccc2c(c1)OCO2 513773926 SFJFVALBXKNNQT-QGZVFWFLSA-N 448.519 5.312 30 20 IKED Cc1cc(CSc2ncccc2C(=O)Nc2sc3c(c2C#N)CCCCCC3)no1 515449190 KCIUQSKPCKYOGA-UHFFFAOYSA-N 438.578 5.515 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)N[C@@H](C)C(=O)NC1(C#N)CCCCC1 517370991 QJGOFHIIQUWHMF-ZBFHGGJFSA-N 431.005 5.154 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 517528943 AYKAZEOCSZLGIK-LSDHHAIUSA-N 437.487 5.905 30 20 IKED Cc1ccc2nc([C@H]3CCCN3C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)[nH]c2c1 517658448 LIMSTPQVHDMMCF-RUZDIDTESA-N 436.515 5.707 30 20 IKED C=CCn1c(SCC(=O)N2Cc3ccccc3C2)nnc1-c1ccc(Cl)cc1Cl 518504484 VXGNEJSBJRUJAZ-UHFFFAOYSA-N 445.375 5.072 30 20 IKED CCCCNC(=O)c1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 519053625 KRGLTUYVZKMKAD-UHFFFAOYSA-N 442.519 5.202 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3nc(CN4CCCCCC4)cs3)c2)c1 522396927 AHPUYMMDBFACJO-UHFFFAOYSA-N 446.576 5.222 30 20 IKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)c3nc4cccc(C)c4[nH]3)cc12 522829470 FQUVATAQELWCRB-KRWDZBQOSA-N 429.480 5.209 30 20 IKED C=CCc1cc(CNC(=O)Nc2cccc(-c3ccccc3OC)c2)cc(OC)c1OC 523591025 QICADRLKFNBSIF-UHFFFAOYSA-N 432.520 5.430 30 20 IKED COc1cc2nc(C)sc2cc1NC(=O)c1ccccc1Sc1ccccc1C#N 524205636 PZLDBENRMPKUNI-UHFFFAOYSA-N 431.542 5.889 30 20 IKED COc1cccc([C@@H](NC(=O)CSCc2ccc(C#N)cc2)c2ccccc2Cl)c1 525009001 SXVUJWONMFRXFM-XMMPIXPASA-N 436.964 5.359 30 20 IKED Cc1cccc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c1Br 534563468 RGZRDQOPOJKPPW-NRFANRHFSA-N 435.321 5.331 30 20 IKED COc1cccc(/C=C(\CC(=O)N[C@@](C)(C#N)CC(C)C)c2nc3ccccc3s2)c1 535326751 SMSPLOIHYUYQSX-KWSQCTBMSA-N 433.577 5.680 30 20 IKED C=C[C@@H](CC(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1ccccc1 536202710 FABSBZIOJLMZRN-SFHVURJKSA-N 441.499 5.237 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@H](Cc2ccccc2)C1 537337960 IXBVJZVLWZKRSV-XMMPIXPASA-N 427.504 5.134 30 20 IKED N#Cc1ccc2ncc(CNCc3ccc(Oc4ccc(Oc5ccccc5)cc4)nc3)n2c1 538355292 IQBZPXCAWMVTHC-UHFFFAOYSA-N 447.498 5.475 30 20 IKED Cc1ccc(SCC(F)(F)F)c(NCc2cn(CCC#N)nc2-c2ccccc2)c1 538833013 BKPOJSZECDHJTG-UHFFFAOYSA-N 430.499 6.039 30 20 IKED O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)N1CCC(C(F)(F)F)CC1 539014709 FJJGPQYSNOUAHK-UHFFFAOYSA-N 430.299 5.023 30 20 IKED Cc1nc(CSc2ccccc2C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)cs1 543856516 HIWCQYKQLOCGSO-UHFFFAOYSA-N 449.536 5.193 30 20 IKED O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)C1CCSCC1 544012802 PUKVBXNQEXQDSX-LBPRGKRZSA-N 439.343 5.587 30 20 IKED Cc1ccc(Cl)cc1-c1noc(C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 546394553 SLTYRRDIAYRUTH-UHFFFAOYSA-N 435.871 5.202 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)N(C3CC3)[C@@H]3CCCC[C@@H]3C3CCCCC3)CC2)o1 551586608 HCRXUFPHPOHAPA-ISKFKSNPSA-N 438.616 5.201 30 20 IKED N#Cc1ccc(CN[C@@H](Cc2c(F)cccc2Cl)c2ccccc2Br)nc1 554365037 XLGAEAAGZXRJKA-NRFANRHFSA-N 444.735 5.582 30 20 IKED C=C[C@@H](CC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1C(F)(F)F)c1ccccc1 559870510 MJKLEQBNFMSJLM-MGPUTAFESA-N 432.442 5.121 30 20 IKED Cc1c(COC(C)(C)C)cccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 561354921 TZGJQNJDOLTPQD-UHFFFAOYSA-N 439.531 5.396 30 20 IKED N#CCCC[C@@H](NC(=O)C(=O)Nc1ccccc1Oc1cccc(F)c1)c1ccccc1 563555774 QXEVJUPAGLVFAZ-OAQYLSRUSA-N 431.467 5.108 30 20 IKED Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)[nH]c2c1 564281188 CKVQWEKWIXWQPA-QGZVFWFLSA-N 429.402 5.011 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](OCCC)CC1 571603113 DGWPTKOEFXIDGX-QGZVFWFLSA-N 439.387 5.135 30 20 IKED Cc1nc([C@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccc(Cl)cc2)no1 579991893 JPDIGVIQSSGWOJ-BFUOFWGJSA-N 441.944 5.337 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)NC1(c2ccc(F)cc2)CCCC1 590855279 QMYZDYBCDHSWQX-FOLVSLTJSA-N 440.403 5.804 30 20 IKED C=CCN(C(=O)Nc1ccc2c(ccn2CC(C)C)c1)[C@H](C)c1cccc(-n2cnnn2)c1 596360843 CCCRUZARVXLLSF-LJQANCHMSA-N 443.555 5.054 30 20 IKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603623699 MZGAMPNDEYETOB-UHFFFAOYSA-N 434.521 5.352 30 20 IKED Cc1oc(-c2ccsc2)nc1CC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 608870275 HPOGSQKTHDETJP-UHFFFAOYSA-N 442.500 5.017 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3sc4cccc(Cl)c4c3Cl)CC2)c1 609185389 ZKMXPKNQUWQDJW-UHFFFAOYSA-N 431.344 5.763 30 20 IKED N#Cc1ccccc1CSCCNC(=O)Nc1cccc(CSc2ccccn2)c1 609208499 ZOLYSCCSNPCDRT-UHFFFAOYSA-N 434.590 5.300 30 20 IKED CC(C)n1ncc2c(C(=O)N[C@@H](C#N)c3ccc(Cl)cc3)cc(-c3cccs3)nc21 609286951 AZFJARYIHGATDR-IBGZPJMESA-N 435.940 5.389 30 20 IKED CN(C(=O)c1cccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1)c1ccccc1 609427065 NMEASALMNPACRM-UHFFFAOYSA-N 447.494 5.879 30 20 IKED Cc1ccc(C2(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CCOCC2)cc1 609504111 PLCZEWOKHFEXGI-DEOSSOPVSA-N 444.962 5.991 30 20 IKED N#C[C@H](NC(=O)c1cccc(COc2cccc(F)c2)c1)c1ccccc1Br 609624178 HJOFKTDQCWREBQ-NRFANRHFSA-N 439.284 5.162 30 20 IKED CC(C)n1cnnc1[C@@H]1CCCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1 609733159 YDZLBFBHNDLULW-GOSISDBHSA-N 449.942 5.196 30 20 IKED Cc1cccc([C@H]2CCCCCN2C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)c1 609812233 CAYXNURUWSCOBH-DENIHFKCSA-N 435.593 5.329 30 20 IKED CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 610306647 LDDANUOKXXOXEF-UHFFFAOYSA-N 444.556 5.846 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H](C[C@@H]2CCOC2)C1 611357758 SZOBVKBRCWCRKX-GMAHTHKFSA-N 433.552 5.116 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NCc3ccc(C#N)cc3Br)s2)cc1 612518386 KDQLBFCKCASHIR-CYBMUJFWSA-N 442.382 5.612 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(CC)cc2)nnc1-c1ccccc1F 613389372 REHTZFUTUULCOJ-IRXDYDNUSA-N 438.572 5.191 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1-c1ccc(F)cc1 620304167 FWFBXRRTUHBLGJ-OAHLLOKOSA-N 438.434 5.212 30 20 IKED CCOCc1cc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)ccc1OC 726626417 GGFZSWBELQAVLG-OCKHKDLRSA-N 444.965 5.163 30 20 IKED N#CCOc1ccc(CNC(=O)c2oc3ccccc3c2CSc2cccs2)cc1 727675150 UPVOHFLRYXKCNS-UHFFFAOYSA-N 434.542 5.619 30 20 IKED C[C@H](NC(=S)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccs1 727977909 BTGNMBYWTDCZOF-AWEZNQCLSA-N 427.982 5.900 30 20 IKED COC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 728764353 AHJASCWTQYMPDC-HNNXBMFYSA-N 446.315 5.785 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)c1 729570134 KNHVTYCIBHQXMQ-KNQAVFIVSA-N 443.588 5.285 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COc2ccccc2OCc2ccccc2)cc1 730746066 ZVBIKROQPWJXRD-SANMLTNESA-N 448.522 5.939 30 20 IKED Cc1cccc(N(CCC#N)C(=O)COC(=O)[C@H]2C[C@H]2c2cccc3ccccc23)c1C 730872234 MIQBWIXYCSLDDL-ZEQRLZLVSA-N 426.516 5.050 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 731288417 UTRHPTPQYLIXGX-HBMCJLEFSA-N 436.483 5.606 30 20 IKED CCCCCCn1nc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccc2c1=O 731332373 JXPRIQCQGDLOBA-GOSISDBHSA-N 448.592 5.623 30 20 IKED CCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H](C)Cc1ccc(OC)cc1 731398229 DOJXTSLBQQFMTN-FQRUVTKNSA-N 427.548 5.836 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(C(F)(F)F)nc2O)ccc1OCc1ccccc1 731564819 UJEZYORFGNUPRL-DHZHZOJOSA-N 443.421 5.680 30 20 IKED COc1cccc(Cc2cnc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)s2)c1 731964052 OOPWUGDSJSWAFH-UHFFFAOYSA-N 442.500 5.054 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc3sc4ccccc4c3s2)ccc1OC 733232874 ZDUNVUOLNPLTSD-HNNXBMFYSA-N 436.558 5.736 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc1 733258539 DLZKHAOMGCFSDB-KRWDZBQOSA-N 434.323 5.264 30 20 IKED CC(=O)N(c1nc(/C=C2\CCc3nc(-c4ccc(F)cc4)sc3C2=O)cs1)C1CC1 734304892 ZYVZERHQZCSROO-GXDHUFHOSA-N 439.537 5.134 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C)c(Oc3ccncc3)c2)cc1 734705700 OPGDVIVJHPVYPO-HSZRJFAPSA-N 427.504 5.486 30 20 IKED O=C(/C(=C\c1ccc(Oc2cnccn2)cc1)c1nc2ccccc2s1)c1ccccc1 743058951 PTBADYCPZSZYLF-LTGZKZEYSA-N 435.508 6.302 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)cc1 743294625 QUAGRAQAGKRYMF-YIXXDRMTSA-N 438.575 5.376 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)N(CCC#N)c1ccccc1 743473114 BQQYVKAKWHUICC-IBGZPJMESA-N 442.494 5.024 30 20 IKED Cc1ccc(N2C(=O)CC[C@H](C(=O)N[C@H](C)c3cccc(C#N)c3)[C@H]2c2cccs2)cc1 743776933 KSCIEDBZHXCDFA-MOADCYBESA-N 443.572 5.290 30 20 IKED CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 745055090 VHGGHWXJUQDFEO-FQRUVTKNSA-N 426.516 5.270 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN(CC)Cc2ccc(C(F)(F)F)cc2)c1=S 746042833 IAUJPRHAGDDJRY-UHFFFAOYSA-N 433.503 5.160 30 20 IKED CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1ccccc1SCCC#N)c1ccccc1 746166279 BHYIHLNAKXCJJP-LJQANCHMSA-N 425.554 5.287 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)cc1 750990119 LTRWXARKXSSRNC-ZRBLBEILSA-N 431.561 5.524 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCCCC[C@H]3C[C@@H](O)c3ccco3)c2)cc1 752105848 MNRYXTRMOYPZAX-UKILVPOCSA-N 444.531 5.239 30 20 IKED Cc1c(C(=O)O[C@@H](C#N)Cc2ccc(F)cc2F)sc2nc(C(F)(F)F)ccc12 753950927 JQLHDNOIMYGKFB-GFCCVEGCSA-N 426.366 5.193 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)c3ccc(COc4ccc(Cl)cc4)cc3)CCO2)c1 762304685 ZHIFCOPCYCNVLQ-DEOSSOPVSA-N 432.907 5.004 30 20 IKED COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 763800183 NYCKMKLCBMUQML-JOCHJYFZSA-N 447.516 5.241 30 20 IKED N#Cc1cc(NC(=O)c2cccnc2SCC2CCCCC2)c(Cl)c([N+](=O)[O-])c1 764305903 OKJDXFFNXMWRMN-UHFFFAOYSA-N 430.917 5.440 30 20 IKED C=CCn1c(-c2cccs2)nn(CN2CCC(C(=O)c3ccc(C)cc3)CC2)c1=S 764909084 HFAZHUQMAXSPFI-UHFFFAOYSA-N 438.622 5.189 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccc(Cl)nc1C(F)(F)F 766421037 UJEKLJCFPVUSHI-UHFFFAOYSA-N 444.734 5.423 30 20 IKED C#CCN(C(=O)Nc1c(C)cccc1Cl)[C@@H]1CCOc2ccc(Br)cc21 767991398 UXDBXXRTMOQEJY-QGZVFWFLSA-N 433.733 5.402 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1C(F)F 769123010 VTBZZKWFVCHJEH-INIZCTEOSA-N 448.395 5.767 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)OC[C@H](C#N)Cc4cccs4)cc3)o2)c1 772744120 ZGVIPMNPJJOGIH-KRWDZBQOSA-N 429.501 5.313 30 20 IKED N#CCc1ccccc1CC(=O)O[C@H](c1cc(Br)ccc1F)C(F)(F)F 776995670 FZJLTSCXCQDZKH-QGZVFWFLSA-N 430.195 5.044 30 20 IKED Cn1cc(CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(-c2ccc(C#N)cc2)n1 779596419 VOJMNJVTAHJLHP-UHFFFAOYSA-N 437.478 5.161 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CCC2 780153026 YTNAAMHXSQAOHV-CQGUWYRNSA-N 449.510 6.248 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 780682804 YEZBSVVVAGSQHM-OAHLLOKOSA-N 430.335 5.996 30 20 IKED CCNC(=O)Nc1ccc(C)c(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1 786393174 GEEAIIOBDNEFKU-UHFFFAOYSA-N 433.537 5.058 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(Cl)cc1Cl 787052592 NIHJNXFYVAMJIK-FUTJPDQTSA-N 435.273 5.248 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)/C=C\c1ccc2[nH]ccc2c1)c1ccc(Cl)cc1Cl 787054151 UFWMPFHJVNZOAH-OJFYFBRHSA-N 426.303 5.074 30 20 IKED Cc1oc2ccccc2c1CC(=O)[C@@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 787054383 UTTXHNQILLZTPL-KZULUSFZSA-N 429.303 5.177 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2cc(Br)cnc2Cl)c1 787950418 LQKOCANFCCHHAQ-UHFFFAOYSA-N 442.700 5.200 30 20 IKED C#CCn1ccc(CN(CC)C(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)n1 788823436 QWZMHEMMBRIGPQ-UHFFFAOYSA-N 425.863 5.066 30 20 IKED N#C[C@@H](C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1nccc2ccccc12 792101970 CVMPZDRQDYXATG-WOJBJXKFSA-N 438.314 5.023 30 20 IKED COC1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)C#N)cc3)cc2C(F)(F)F)CC1 793390363 PWXGATBDTFEPAF-UHFFFAOYSA-N 445.485 5.374 30 20 IKED C[C@H](Oc1ccc2ccccc2c1)C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 796628620 LDIZQGFLPNDRTR-IFXJQAMLSA-N 443.528 5.073 30 20 IKED Cn1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c2cc(F)ccc21 796631087 GDFBAXFJVMRDPX-IBGZPJMESA-N 427.435 5.071 30 20 IKED CC(C)C(=O)c1ccc([C@@H](C)C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 802059343 VOIYPGNTGBXOGQ-PBHICJAKSA-N 438.499 5.907 30 20 IKED O=C([C@H](F)c1ccc(C(F)(F)F)cc1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 857483578 CMGWYCOBPUYPNI-IAGOWNOFSA-N 435.339 5.335 30 20 IKED Fc1ccc(OCc2nnc(S)n2N=Cc2ccc(-c3ccccc3Cl)s2)cc1 874103787 MMRVSYZRKIPCCB-UHFFFAOYSA-N 444.944 5.549 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)COc2ccc(F)cc2Br)cc1 915085708 DXINSFSHWMEMJK-LJQANCHMSA-N 439.284 5.261 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2cccs2)n1)c1nc(-c2ccc(Cl)cc2)cs1 915101762 KSHSTLYSKMXAAN-OAHLLOKOSA-N 441.990 6.067 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 916673370 FRHBJBYPNBRCTH-JOCHJYFZSA-N 432.545 5.067 30 20 IKED N#C[C@H](C(=O)CSc1ccc2c(c1)CCC2)C(=O)Nc1ccccc1Oc1ccccc1 916912489 ZQIJYYREYHEPNE-JOCHJYFZSA-N 442.540 5.407 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C3SCCCS3)cc2)cc1Cl 916936890 BXPQUMHMFNJLEV-MRXNPFEDSA-N 446.981 5.178 30 20 IKED Cc1cc(C)n([C@@H](C)CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1 916997329 WDVIEBCYQCUQEY-BBRMVZONSA-N 433.364 5.758 30 20 IKED N#C[C@@H](C(=O)Cc1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)ccc2s1 917042869 IDEGVMFECLOYIF-ZDUSSCGKSA-N 428.357 5.753 30 20 IKED COc1ccccc1OCC(=O)Nc1cccc(N=Cc2c(O)ccc3ccccc23)c1 917558035 ZREFETLMRMTXNE-UHFFFAOYSA-N 426.472 5.322 30 20 IKED N#C[C@H](C(=O)CSc1cccc2cccc(Cl)c12)c1nc(-c2ccncc2)cs1 920264963 GFXWFMADGYFGRF-MRXNPFEDSA-N 435.961 5.980 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(Cc4ccc(F)cc4)n3)n2)cc1 920875141 POSXOJWEOYZPKR-FQEVSTJZSA-N 447.560 5.724 30 20 IKED CCn1cc(C(=O)/C=C/c2ccc(OCc3cccc(C(F)(F)F)c3)c(OC)c2)cn1 920991435 HVOCDJOERXDRKM-VQHVLOKHSA-N 430.426 5.406 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=S)Nc2ccc3ccccc3c2)cc1 920993673 AGKRMRPAGQEXPD-UHFFFAOYSA-N 425.532 6.250 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)nc(CC)c3)CCC2)cc1 1789454334 VVEXRCRYNZLZBQ-XMMPIXPASA-N 431.580 5.469 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](C)Sc3cccs3)CC2)C1 1804862280 QSAZXUSGKYWKSP-LJQANCHMSA-N 448.698 5.452 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2csc(C)c2C)[C@H]1c1cccnc1 1810494243 CUTSFQZDSTXUBG-IRLDBZIGSA-N 439.625 5.072 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)[C@@H]1c1cccnc1 1812902406 TWUOCWKFBYQJSQ-KOVSNXQUSA-N 439.644 5.296 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3cc[nH]c23)[nH]n1 1814443210 PRYNRIAUMAAHLY-FQEVSTJZSA-N 433.556 5.189 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ccn(C)c23)n[nH]1 1818721587 QUURNTLMYXUXNM-OAQYLSRUSA-N 447.583 5.200 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)c2cccs2)n[nH]1 1822706543 WUWQNYNOPPMSQI-YQVWRLOYSA-N 426.586 5.035 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCC(C(F)(F)F)CC2)CC1 1824828101 YKRMESFNVKJUMD-GHOZHQTGSA-N 442.566 5.187 30 20 IKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 1826690727 FCXGRAPRCQNUCV-IBGZPJMESA-N 444.000 5.092 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccoc3s2)CC1 1828823883 BZMJTNWIVXQXLR-RTWAWAEBSA-N 440.609 5.496 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)sc1C)=C(/S)Nc1ccccc1OC 10118357 YRLRRVVFVANDKI-UHFFFAOYSA-O 425.599 5.274 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cccc(Cl)c1)=C(/S)Nc1cccc2ccccc12 11125664 ZMCIXXZZIDSERE-UHFFFAOYSA-O 445.995 6.394 30 20 IKED N#Cc1c(NC(=O)CSc2nnc(NC3CCCCC3)s2)sc2c1CCCCC2 36676698 HPQZLPJVXNSZGL-UHFFFAOYSA-N 447.655 5.216 30 20 IKED COCc1c(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)oc2ccccc12 58515446 FERMDJPXLWVBKR-UHFFFAOYSA-N 428.463 5.433 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)c1nc(C(C)(C)C)no1 97111983 HHDWZEVBVMSEJA-ZDUSSCGKSA-N 433.965 5.230 30 20 IKED C=C(C)CSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1ccc(OC(F)F)cc1 206803441 NFVGUHXKMFGVJI-XDHOZWIPSA-N 430.476 5.350 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)cc1 303007041 NXMFYDKYAXJTDE-INIZCTEOSA-N 446.378 6.033 30 20 IKED FC(F)(F)c1ccc(-c2nc(CN3CCC(C(F)(F)F)(C(F)(F)F)C3)cs2)cc1 303670565 JQTAJHCVCQWUEG-UHFFFAOYSA-N 448.354 6.146 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCSC[C@@H]1c1ccc(Cl)cc1 303684313 STZTUCYBKDOZKF-OXQOHEQNSA-N 446.041 5.320 30 20 IKED COc1cc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)ccc1OC1CCCC1 410403381 CFYPVTSPXKAPEF-UHFFFAOYSA-N 432.442 5.093 30 20 IKED C=CCN(C(=O)c1ncc(F)cc1F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 428273980 GQITVCLHTYCXIO-UHFFFAOYSA-N 426.275 5.623 30 20 IKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)c12 430595824 IJFPIGFBWDREMG-CQSZACIVSA-N 435.578 5.249 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)s1 430625402 KOGFBYUXFILONQ-INIZCTEOSA-N 445.466 6.137 30 20 IKED CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1cccc(SCC#N)c1 430690441 GMSBRNKXTAJSEY-UHFFFAOYSA-N 436.556 5.316 30 20 IKED CN(C(=O)NCCCCC#N)[C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 431981940 PEEPIBBZGHBMPK-IBGZPJMESA-N 434.765 5.527 30 20 IKED N#CCCC[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccccc1 432623960 SUUAJCBVOSBVGX-IBGZPJMESA-N 430.474 5.862 30 20 IKED N#CCC[C@@H](NC(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1ccccc1 433807450 HFELJCOFJDWETK-QGZVFWFLSA-N 430.455 5.995 30 20 IKED N#C[C@H](C(=O)c1ccnn1CC(F)F)c1nc(-c2ccc(Cl)cc2Cl)cs1 434623810 DTNNUVOFJRDQQQ-LLVKDONJSA-N 427.263 5.069 30 20 IKED N#CCCn1cc(CN2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c(-c2ccncc2)n1 435132170 VLVSGGWRMZOVID-NRFANRHFSA-N 426.351 5.503 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccc(F)cc1F)C1CCCC1 438053679 UWBNBOWIBUFSFY-INIZCTEOSA-N 429.536 6.336 30 20 IKED N#C[C@@H](C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1nccc2ccccc12 442536092 AOZNYIINZQHALX-LJQANCHMSA-N 425.469 5.784 30 20 IKED N#C[C@@H](C(=O)c1cccc(-c2noc(C3CC3)n2)c1)c1nc(-c2c(F)cccc2F)cs1 442818255 ZYADBNVAOJCKPQ-HNNXBMFYSA-N 448.454 5.506 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(CO)(Cc4ccccc4)CC3)cc2)c1 444898578 OXORBLDRYRNCTI-UHFFFAOYSA-N 441.531 5.200 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CCO[C@H](c4ccccc4)C3)cc2F)c1 462239910 HFPDCKVRMYXFOT-RDGATRHJSA-N 445.494 5.318 30 20 IKED CCN(C(=O)[C@@H](C)c1cccc(C#N)c1)[C@H](c1cccnc1)c1csc2ccccc12 463779558 UOCLABDBXRSISS-AVRWGWEMSA-N 425.557 5.910 30 20 IKED C[C@@H](C(=O)N(Cc1ccncc1)c1ccc(F)c(Br)c1)c1cccc(C#N)c1 464490247 LBWAQIMMYNMAAM-OAHLLOKOSA-N 438.300 5.192 30 20 IKED C[C@@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1nc(C2CCCCC2)no1 464704509 MRALURMRFQRSKM-QGZVFWFLSA-N 430.508 5.059 30 20 IKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N 468114478 YLQZTJBXXHJURX-LEAFIULHSA-N 439.559 5.207 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCSC[C@@H]2c2nccs2)cc1Cl 472103390 DUXOPUHHZBVOIC-QGZVFWFLSA-N 441.965 5.391 30 20 IKED Cc1cc(Br)cc2c(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)coc12 473490298 OBTXVJLIBDVRBL-HNNXBMFYSA-N 438.306 5.512 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 473770922 ALTZUKQEVYWTRF-UHFFFAOYSA-N 431.883 5.347 30 20 IKED C=CCn1c(SCc2csc([C@@H](C)OC)n2)nnc1-c1ccc(C(C)(C)C)cc1 476485214 UZPNJRHCCNDCEO-OAHLLOKOSA-N 428.627 5.885 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](c1ccc(CCC)cc1)c1cccs1 476931056 LTJOITHHMJZEBZ-DEOSSOPVSA-N 438.593 5.663 30 20 IKED Cc1nc([C@H](C)N2CCCN(Cc3ccc(C#N)cc3)CC2)oc1-c1ccc(Cl)cc1 477768542 RMRXYYGHPKTMLR-IBGZPJMESA-N 434.971 5.444 30 20 IKED CCCN(CCc1cccs1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 480309009 UTSBJKWUVOAGQI-UHFFFAOYSA-N 433.577 5.880 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(C(=O)NCC(F)(F)F)ccc1C 480327027 CRAUSAFFPAKILT-UHFFFAOYSA-N 445.894 5.222 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1nnc(-c2cccc(Cl)c2)s1 481452162 ZTVNLMXRNJFRSU-UHFFFAOYSA-N 430.965 5.246 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F 481490740 YYZGXPWKCBCEFE-SFHVURJKSA-N 430.421 5.134 30 20 IKED CC[C@@H](C)n1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C 482578268 GODPPVDNAHAJHU-ABAIWWIYSA-N 433.364 6.083 30 20 IKED C=CCSc1ccccc1C(=O)Nc1nc(-c2ccc(NC(C)=O)cc2F)cs1 485737935 MJWISVDXQCXSSD-UHFFFAOYSA-N 427.526 5.438 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)cc1F 488474814 BVEFHDSNWGEVKW-UHFFFAOYSA-N 449.457 5.456 30 20 IKED C=CCC[C@@H](C(=O)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1)c1ccccc1 489020336 SAFOXTJOSPQZAW-AREMUKBSSA-N 430.592 5.166 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 489837433 DLWDFSOJNAOOFM-ZEQKJWHPSA-N 441.531 5.345 30 20 IKED N#CCCN(Cc1cccnc1)C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 500074536 PUQOYDRHIHAOJW-UHFFFAOYSA-N 444.585 5.419 30 20 IKED Fc1cccc(F)c1[C@@H](NCc1nc(-c2cccc(C(F)(F)F)c2)no1)C(F)(F)F 506319933 GWYFZOVPVQYCNG-OAHLLOKOSA-N 437.290 5.427 30 20 IKED COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 507916812 DSHVTIIRQWWPGQ-UHFFFAOYSA-N 444.487 5.359 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(Cc3ccc(F)cc3)CC2)cc1 508272142 GGBOWRDIZHUOQW-UHFFFAOYSA-N 435.543 5.127 30 20 IKED C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@@H](c2nccs2)C1 508495944 XCPFLFOEXILXNM-GOSISDBHSA-N 448.621 5.404 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2Cc2ccccc2Cl)cc1 511017255 WXBGNJIMEXLJBG-QFIPXVFZSA-N 437.971 5.393 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(COc4ccc(C)nc4)c3)n2)cc1 512943402 OPNWTIGVGGOYMC-QHCPKHFHSA-N 439.540 5.891 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1 513140605 HTWQKAUQQKDJLW-UHFFFAOYSA-N 433.511 5.548 30 20 IKED Cc1cc([C@@H](C#N)C(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)nc(C)n1 516267298 XCZHGIMSTXQYRN-QGZVFWFLSA-N 440.272 5.277 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(-c4cccs4)nc3C)n2)cc1 516713779 JCGOGJWWINNEDE-OAHLLOKOSA-N 437.571 5.802 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccc(C)cc4)c3C)n2)cc1 516713814 KGQQYVCJUSFTOO-HXUWFJFHSA-N 428.517 5.111 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NCC(=O)Nc1oc(C)c(C)c1C#N 516893753 ARRJMMOWNJBRSR-GFCCVEGCSA-N 428.945 5.143 30 20 IKED C[C@@H](CC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccc(C(F)(F)F)cc1 517665828 MCMCZIAOVVRAAL-ATIQYGATSA-N 430.470 5.577 30 20 IKED Cc1ccc(C)c(OC2CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)CC2)c1 517712726 FURPUUPPELXKCK-UHFFFAOYSA-N 446.576 5.298 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(OCC(F)(F)F)c2)cc1C 519111568 QIUSQGPQQHYBGZ-UHFFFAOYSA-N 442.441 5.274 30 20 IKED CCC(CC)CN(CCC#N)C(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 520520426 IRLKAUIQALZKOT-UHFFFAOYSA-N 431.989 5.754 30 20 IKED CC(C)OCc1c(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)oc2ccccc12 520595937 IETNPCJQDHVTHS-UHFFFAOYSA-N 427.460 5.669 30 20 IKED COc1ccccc1CN(C[C@H]1CCCO1)C(=O)Nc1ccccc1SC[C@@H](C)C#N 520856975 ZRVSPPZQQZECIG-AZUAARDMSA-N 439.581 5.160 30 20 IKED CC(C)CNC(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1Cl 521209599 BUYPEIZLNKCDOB-UHFFFAOYSA-N 440.975 5.288 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1ccccc1S[C@H](C)CC#N 521799677 FBCXGWAQWKPNTM-LLVKDONJSA-N 434.011 6.480 30 20 IKED CCc1c(-c2ccncc2)n[nH]c1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 522635532 NNSSRFANYJGORA-UHFFFAOYSA-N 443.894 5.604 30 20 IKED CC(C)n1c(CCNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)nc2ccccc21 522926729 RVHJTWQBVFYEBX-UHFFFAOYSA-N 442.494 5.393 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)o2)cc1 524125134 QVTKKWMAMCRPSU-UHFFFAOYSA-N 449.466 5.433 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccnc3N3CCCC3)cc2Cl)c1 524390437 KSSVJJQCICLBMD-UHFFFAOYSA-N 432.911 5.038 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1-c1ccc(Cl)cc1 524808443 HBFAXKANUWLEOG-KRWDZBQOSA-N 445.950 5.624 30 20 IKED N#C[C@H](NC(=O)c1cc(-c2ccccn2)ccc1Cl)c1ccc(OC(F)(F)F)cc1 533651982 OIMGTNPJGRJOLA-IBGZPJMESA-N 431.801 5.295 30 20 IKED N#C[C@H](C(=O)c1ccccc1CCC(F)(F)F)c1nc(-c2c(F)cccc2F)cs1 533930413 NTJZAUZKJIOMPQ-CQSZACIVSA-N 436.405 6.073 30 20 IKED CC(C)Cn1cc(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c(C(F)F)n1 535603253 OLDHDWQVRKXXGC-UHFFFAOYSA-N 425.439 5.785 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 537898528 CZMNOBGKAJLRTD-UHFFFAOYSA-N 430.402 5.499 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)N[C@H](CCC#N)c1ccccc1 539050178 FNLTTWCILLLOSP-FOIQADDNSA-N 440.410 6.577 30 20 IKED COc1cc([C@H](C)NC2CCN(Cc3ccc(C#N)cc3)CC2)ccc1OC1CCCC1 539499601 ITNBQWCOQJCOIO-FQEVSTJZSA-N 433.596 5.203 30 20 IKED N#CC1(c2ccc(C(=O)Nc3sc4c(c3-c3nc5ccccc5s3)CCC4)cc2)CC1 539620146 BLUXLIGIYCPQMU-UHFFFAOYSA-N 441.581 6.321 30 20 IKED C[C@H](NC(=O)Nc1ccccc1C(=O)N1CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 541993803 ZIGIXGPXACEHKV-IBGZPJMESA-N 438.531 5.344 30 20 IKED COc1ccc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1OCCCC#N 542019581 ZTVXHEGGLUQNAI-HXUWFJFHSA-N 425.532 5.767 30 20 IKED CCc1cc(O)nc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1 542123727 RTMCUFVTQKZBDS-CQSZACIVSA-N 447.301 5.175 30 20 IKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1Cl 543475337 UZYURQNTEJIYIX-GOSISDBHSA-N 436.726 5.152 30 20 IKED C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccc(-c2cccc(C#N)c2)cc1 543896808 GAOBKFXGWCOWHJ-SFHVURJKSA-N 440.503 5.543 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccnn1Cc1ccccn1)c1ccc(C(F)(F)F)cc1 552857997 KMHZPNFWKRBIQP-IBGZPJMESA-N 429.446 5.174 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)c1ccc(Oc2ccccc2)cc1 558756530 GOIAIJVRQWRQGL-UHFFFAOYSA-N 428.875 5.510 30 20 IKED C=CCn1c(S[C@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)nnc1-c1cccc(C)c1 558805849 QTVWFXGHUQHBHR-UWJYYQICSA-N 436.556 5.033 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1 571097673 SFKRPLWKHKPDGC-UHFFFAOYSA-N 448.910 5.636 30 20 IKED COc1ccc(CNc2ccc(C(=O)N(C)C3CCCCC3)cc2)cc1OCCCC#N 576653959 AWQKSIFPKKYARB-UHFFFAOYSA-N 435.568 5.395 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COc2cc(F)cc(C#N)c2)cs1 579119257 LWDMSWCWLUYSEF-UHFFFAOYSA-N 435.402 5.436 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(F)cc2OC2CCOCC2)c1 580825042 KDSKFXHXNFJCHI-UHFFFAOYSA-N 446.478 5.086 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)CCCc3cccc(C(F)(F)F)c3)CC2)c(F)c1 586829760 DMNFRQVQNNDAJS-UHFFFAOYSA-N 434.433 5.109 30 20 IKED COc1ccc(C)cc1-c1csc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)n1 603578515 HNPOYSMICRKDNH-UHFFFAOYSA-N 438.578 5.050 30 20 IKED CSc1ncc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)n1-c1ccccc1 603601387 XVYTUOPFTBRFOF-UHFFFAOYSA-N 441.516 5.214 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1OC 603637995 XCYMZPOYUQSEDQ-GOSISDBHSA-N 430.504 5.036 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cnc(-c4ccccc4Cl)s3)s2)cc1 604517216 NXKOEWLYZQSQQR-UHFFFAOYSA-N 436.949 5.635 30 20 IKED COc1cc2nc(C)sc2cc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 608849258 DKDYQEQCLRUQQG-UHFFFAOYSA-N 429.501 5.316 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)c1ccc(Br)cc1 608918134 FZWZWGBBBRYHFL-UHFFFAOYSA-N 428.374 5.219 30 20 IKED Cc1ccc(-n2nnc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c2C)cc1 609378403 KIMMMDNMVPVSMW-UHFFFAOYSA-N 445.470 5.161 30 20 IKED COc1ccc(Cl)cc1CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609378576 WIZGGILKHYHYDC-UHFFFAOYSA-N 428.863 5.554 30 20 IKED N#CCCSc1ccccc1NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 609378740 KNJWLERKSADAIV-UHFFFAOYSA-N 449.601 5.968 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1 609382811 RMCRGADULQARGD-INIZCTEOSA-N 431.517 5.082 30 20 IKED C[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccc(-n2cncn2)cc1 609722298 RCEMYCOWRUGXID-INIZCTEOSA-N 443.894 5.076 30 20 IKED COc1cc(CN(C)C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)ccc1OC(F)F 609985618 HMOANAPJPAUCDP-UHFFFAOYSA-N 437.446 5.184 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)C2CC(OCc3ccccc3)C2)cc1 610466341 DVSNIEOIKGXHCM-UHFFFAOYSA-N 426.516 5.266 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@H](Cc4ccncc4)C3)cc2Cl)c1 611818160 BVPCGIZIOVEDKC-HXUWFJFHSA-N 446.938 5.282 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(=O)CCC)cc2)nnc1-c1cccc(C)c1 612622014 KDKLVWWMUKEVNM-GOSISDBHSA-N 448.592 5.542 30 20 IKED Cc1ccc(-n2ncc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2C)cc1 613404881 PYTVADHDFRCROP-INIZCTEOSA-N 440.450 5.608 30 20 IKED Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)[C@@H](C#N)c2nc3ccccc3o2)c1 614439735 GHKZNOUCGPQSTR-HXUWFJFHSA-N 436.446 5.618 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1)c1nc2ccccc2o1 614439879 SRQDSHFBXFJRCJ-LJQANCHMSA-N 438.874 5.824 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(CCC(F)(F)F)Cc3ccccc3)cn2)c1 616761922 NPBODPWZYHDXRF-UHFFFAOYSA-N 440.425 5.732 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)nnc1-c1cccc(C)c1 617941943 DDAYGOCMWQUVSF-PKOBYXMFSA-N 438.622 5.345 30 20 IKED Cc1cc(-c2noc([C@@H](C)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)n2)ccc1F 618453851 VGZVYSGPWQECRL-RTXFEEFZSA-N 425.348 5.308 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1 620418294 TWRWHZZOFQHBOV-UHFFFAOYSA-N 441.944 5.339 30 20 IKED N#Cc1ccc(NC(=S)/C(=C(/O)c2cccc(Cl)c2)[n+]2cccc(O)c2)cc1Cl 726571466 KQPBMUGYOUGSPF-UHFFFAOYSA-O 443.335 5.181 30 20 IKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc2c(s1)-c1ccccc1C(C)(C)C2 726858364 KEMNSOPJTLYWQJ-QGZVFWFLSA-N 430.529 5.219 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C=NNc1ccc(OCC(F)(F)F)cc1 727262655 UBWLZAKIZLAZIC-UHFFFAOYSA-N 440.828 5.419 30 20 IKED CCOc1ccc(-n2c(-c3cccc(Cl)c3)nn(CN(C)[C@@H](C)CC#N)c2=S)cc1 728902608 UEYFPEQBVLPJHT-INIZCTEOSA-N 441.988 5.314 30 20 IKED N#C[C@H](C(=O)Cc1cccc(OCc2cccc(Cl)c2)c1)c1nc2ccccc2s1 730395229 QPWMNWYILHIILP-HXUWFJFHSA-N 432.932 5.948 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2nc3cc(Cl)ccc3s2)cc1 730472555 AEWYAEOVVUVZQQ-FQEVSTJZSA-N 431.948 6.176 30 20 IKED Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c2Cl)cc1 730988727 BWXRPCJOIUYDMC-INIZCTEOSA-N 438.984 5.706 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(CCc2cccs2)C(=O)N[C@@H]1c1cscn1 731428693 ABHZVSGZSZOBBO-LJQANCHMSA-N 443.981 5.167 30 20 IKED Cc1c(C#N)c(NC(=O)CN(Cc2ccco2)Cc2ccccc2O)n(C2CCCC2)c1C 731845185 VDQYQJUVOLOGRV-UHFFFAOYSA-N 446.551 5.031 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc3c(ccn3CC(C)C)c2)ccc1OC 733631824 KIPFCCADEAAYIA-NRFANRHFSA-N 434.540 5.309 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](CCc2ccccc2)c2ccccc2)c1 733805367 BBXJEQZMVHTHFQ-RSXGOPAZSA-N 427.548 5.541 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)c1 733851629 FROAGXZUHCSBFO-IBGZPJMESA-N 431.458 5.261 30 20 IKED CC(C)OC(=O)NCc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 735017943 FETQGIHXPYDRST-UHFFFAOYSA-N 445.544 5.596 30 20 IKED C[C@@H](OC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nc(O)c2ccccc2n1 735165826 RHISYVUWSZNUPK-CQSZACIVSA-N 445.862 5.571 30 20 IKED N#Cc1ccc(NC(=S)Nc2cnccc2-c2ccc(C(F)(F)F)cc2)cc1Cl 741510280 SOCVYOBFVPVDNK-UHFFFAOYSA-N 432.858 6.101 30 20 IKED C=CCn1c(=S)sc2c(=O)n(CCOc3ccc(Oc4ccccc4)cc3)cnc21 741851775 RVLAHBBWEZZODB-UHFFFAOYSA-N 437.546 5.046 30 20 IKED Cc1cc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)ccc1NC(=O)CC(C)C 741948844 SLOICZJQDYPDOY-UHFFFAOYSA-N 431.561 5.510 30 20 IKED N#CCOc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)cc1 743148396 OVEZUYAFYYPZTC-UHFFFAOYSA-N 442.397 5.117 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)c1nc(Cc2ccc(Cl)cc2)no1 743474914 OJLSRWCNXAEYTA-KRWDZBQOSA-N 444.922 5.938 30 20 IKED Cc1cc([C@H](NC(=O)NCc2ccc(OCC#N)cc2)c2ccccc2Cl)ccc1F 743583336 RBKZULUWCQNTJR-QHCPKHFHSA-N 437.902 5.279 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)cc1 746763324 DMIYNJGBVRKYMH-RPWUZVMVSA-N 447.485 6.143 30 20 IKED N#Cc1cccc(NC(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)c1 749308162 JAOKQKVGRLMANL-UHFFFAOYSA-N 429.277 5.183 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)cc1C#N 752298240 BPZPJXDICKZQHZ-JOCHJYFZSA-N 436.512 5.284 30 20 IKED N#CCC[C@H](NC(=O)N(Cc1ccccc1)C[C@@]1(O)CCc2ccccc21)c1ccccc1 752684839 OUMDFEVFJSBREP-XCZPVHLTSA-N 439.559 5.077 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1c(F)cc(C#N)cc1F 755282984 QERKTMUMEJZZDR-UHFFFAOYSA-N 441.356 5.455 30 20 IKED C#CC[C@@H](NC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccccc1 757631745 ZYXBCCNOXBTFJK-MHECFPHRSA-N 429.495 5.203 30 20 IKED COc1ccc2c(c1)c(C(=O)N1CCO[C@H](c3cccc(C#N)c3)C1)c(C)n2C1CCCC1 762314030 ZKKKLRYFRYJSIT-VWLOTQADSA-N 443.547 5.159 30 20 IKED O=C(O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cc(F)c([N+](=O)[O-])cc1F 763498878 AZQQRBVXBPBPOL-ZDUSSCGKSA-N 429.219 5.352 30 20 IKED N#Cc1cccc(COc2cccc(/C=C/C(=O)c3c(F)cccc3N3CCOCC3)c2)c1 764433105 CCWHRALGRBXGNI-ZHACJKMWSA-N 442.490 5.009 30 20 IKED Brc1ccc(OCc2ccccn2)c(C=NNCc2cnc3ccccc3c2)c1 764775418 LEKBPPXGRCLWJF-UHFFFAOYSA-N 447.336 5.095 30 20 IKED C=CCSc1ccccc1NC(=O)COC(=O)c1coc(-c2ccccc2Cl)n1 776441038 SVEPMBTUALHZCE-UHFFFAOYSA-N 428.897 5.069 30 20 IKED C[C@@H](NC(=O)N[C@@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21)c1ccc(C#N)cc1 777460112 VHUURBJMLVZJRI-OPAMFIHVSA-N 434.540 5.343 30 20 IKED C[C@@H](Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1)c1ccc(OCC#N)cc1 777667354 OUGJRCJOOCGJMJ-HXUWFJFHSA-N 425.532 5.284 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 777996933 FMPGUFDMZPRQEL-UHFFFAOYSA-N 442.862 5.839 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)O[C@H]([C@@H]2CCOC2)C(F)(F)F)c1 778038234 KIJYDCOZXUSMLX-FZKQIMNGSA-N 425.790 5.128 30 20 IKED CC(C)(C)n1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c(Br)n1 780315823 ZLQSHLUOIGTRTA-JTQLQIEISA-N 437.750 5.154 30 20 IKED COc1ccc(/C=C\C(=O)c2ccc(C#N)cc2F)cc1OCc1ccc([N+](=O)[O-])cc1 781107803 KQYMKVVWZDAJFO-YHYXMXQVSA-N 432.407 5.089 30 20 IKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cnn1C1CCCCC1 781447044 ATBJWICFFURFDJ-NRFANRHFSA-N 442.519 5.450 30 20 IKED Cc1cc(C(=O)CCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c(C)s1 783419031 KHRBUUPVMZNQLK-UHFFFAOYSA-N 426.325 5.042 30 20 IKED N#C[C@H](COC(=O)c1ncsc1-c1ccccc1)Cc1ccccc1Br 786638713 IYTMLIHEWUDGFX-CQSZACIVSA-N 427.323 5.112 30 20 IKED N#Cc1cn(CC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)c2ccccc2c1=O 788494810 URJXHTWXPLFKIM-UHFFFAOYSA-N 441.101 5.125 30 20 IKED COc1ncc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)cc1Cl 789158827 YQWUWTGWFSHRCV-MDZDMXLPSA-N 427.287 5.545 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnc(Br)c(Cl)c2)cc1 790243177 QEIKIPBCTRXJOF-QGZVFWFLSA-N 426.701 5.405 30 20 IKED O=C(C[C@H]1SC(=Nc2ccsc2)N(Cc2cccs2)C1=O)Nc1ccc(F)cc1 790747018 CJHPAXPOHDSUFC-QGZVFWFLSA-N 445.566 5.109 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](O)c1cccc(C(F)(F)F)c1 795541275 KRIWFHFFZSKXGA-OAQYLSRUSA-N 426.394 5.350 30 20 IKED N#Cc1cc(NC(=S)Nc2ccc(OC(F)F)c(Cl)c2)ccc1OC(F)(F)F 799511354 KPCJBLMIQJWBKJ-UHFFFAOYSA-N 437.777 5.521 30 20 IKED C=CCNC(=S)/C(=C(/O)c1cccc(Cl)c1Cl)[n+]1ccc(C(CC)CC)cc1 802710136 VUUHQDAOTWZDDV-UHFFFAOYSA-O 436.428 6.171 30 20 IKED C[C@@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)n1ccc2ccccc2c1=O 805857887 JFBBXBWTOPSXJS-LRDDRELGSA-N 441.434 5.067 30 20 IKED N#Cc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 915102617 AKWXTHJNYRWXMJ-MRXNPFEDSA-N 428.300 5.244 30 20 IKED C[C@H](c1nnc(SCCCOc2ccc(C#N)cc2)n1-c1ccccc1)N1CCCCC1 915794536 PEIGIJLALSEJEB-HXUWFJFHSA-N 447.608 5.247 30 20 IKED COc1cc([C@@H](C)/N=C\c2cc(Cl)cc([N+](=O)[O-])c2O)ccc1OCc1ccncc1 915981741 WSWWPXNUGYETQZ-QTYGBZKPSA-N 441.871 5.117 30 20 IKED CCCC1C/C(=C\c2ccc(NC(C)=O)cc2)C(=O)/C(=C/c2ccc(NC(C)=O)cc2)C1 916137926 UASJHVYITADHKK-OZEVPFDHSA-N 430.548 5.850 30 20 IKED CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916887949 QHMLAZHKBUCSAY-XUMLPFHTSA-N 438.540 5.126 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 916900612 QSZGENDINZWGNF-VQTJNVASSA-N 436.621 5.985 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(Cc3ccc(F)cc3)nc2C)cc1 916951569 ZCAHOXDQGUQJLV-YCRPNKLZSA-N 449.551 5.656 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)n2)cc1 916974629 OLMPKRLWJJNJOF-IBGZPJMESA-N 447.947 6.236 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cccc(OC(F)F)c2)cs1 917558987 BUTXEQWEOCNADV-JXMROGBWSA-N 432.423 5.464 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccccc3Br)n2)cc1 920142312 UUMULGLPKIPHDQ-KRWDZBQOSA-N 436.334 5.253 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2)cc1 921118546 OTBMFFCPPZJSLB-XMMPIXPASA-N 443.503 5.269 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3noc4ccccc34)cc2)CCC1 1788172143 AESHIBQECMHDRK-NRFANRHFSA-N 443.547 5.273 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(OCC5CC5)cc4F)cc3)CCC2)C1 1790585601 SCSUEVOWONBRIZ-UHFFFAOYSA-N 448.538 5.328 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cccc(OC)c34)cc2)CCC1 1790926147 RYQJIEIDNUMALT-UHFFFAOYSA-N 443.547 5.118 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cccc4cnccc34)CCC2)cc1)C(F)(F)F 1791302754 IQXQGLGTTHRSOW-UHFFFAOYSA-N 439.437 5.101 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4sc(C)nc4c3)CCC2)cc1 1791582836 PZHXWEVVHBOYEL-UHFFFAOYSA-N 431.561 5.156 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1)C2 1798592708 DJAPQSUOQVXVIH-WIYBCGNWSA-N 429.004 5.074 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc(C)c2ccccc12 1804611684 TUCGGIKMUMBJBE-ZFFYZDHPSA-N 444.619 5.487 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@H](C)c3ccc(Cl)cc3)CC2)C1 1805451619 RFNZXCWKJANDCF-HXUWFJFHSA-N 443.031 5.443 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccnc(C(C)(C)C)c2)[nH]n1 1819303782 OZFZQNKEXBDSHO-PZJWPPBQSA-N 449.599 5.177 30 20 IKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(C)(C)C)oc2C)CC1 1824955789 RQMQODQSYZJZMG-NRFANRHFSA-N 446.657 5.038 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)ccc2F)CC1 1828824443 KZZSBSQEZAGPJQ-OFNKIYASSA-N 446.994 5.481 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/Sc2ccc(C)cc2)CC1 1828879352 HDXVQJVOIVOFFR-JXTWHVILSA-N 440.653 5.433 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cccs2)CC1 1829067282 HFRUYEISROVIMG-NELJVSICSA-N 428.642 5.373 30 20 IKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3occ(Cl)c3c2)CC1 1831851739 UYSUKOKCNLGROO-JOCHJYFZSA-N 440.971 5.123 30 20 IKED N#CCc1ccc(OC[C@H](O)Cn2c(Cc3cccc4ccccc34)nc3ccccc32)cc1 14288724 VJSHPFHZWSDHSX-XMMPIXPASA-N 447.538 5.286 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(C)o2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 59360105 BVFGNTZGYBSZSE-BBRMVZONSA-N 443.642 5.888 30 20 IKED C=CCN(C(=O)Cc1cn2ccsc2n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 61204747 BWORCXXDUFZKHY-UHFFFAOYSA-N 449.388 5.588 30 20 IKED Cc1ccc(C#N)cc1NC(=O)c1cccnc1Oc1ccc(F)cc1Br 63962316 NQRHTZGHYUZWJE-UHFFFAOYSA-N 426.245 5.208 30 20 IKED C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 107876162 HATXGHKGHGXROH-XARZLDAJSA-N 443.934 5.842 30 20 IKED N#CCCCOc1cccc(CNc2ccc(CCn3cc(Br)cn3)cc2)c1 236588979 LKVALWOXTSFPLG-UHFFFAOYSA-N 439.357 5.183 30 20 IKED C[C@@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1cccc(NC(=O)c2ccccc2)c1 301327976 ACOGVXHJKWJAES-MRXNPFEDSA-N 437.459 5.440 30 20 IKED N#Cc1cc2c(nc1SCC(=O)N1CCc3sccc3[C@H]1c1ccccc1)CCCC2 302956765 LGNSLJJHZPQXFW-XMMPIXPASA-N 445.613 5.160 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C3(c4ccccc4Cl)CCOCC3)cc2)c1 303361366 ZUBCRGWQRNIZGW-UHFFFAOYSA-N 446.934 5.478 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)NCCc2nc(C3CCCCC3)cs2)c1 303444454 CPHMNZJHLYBCFG-UHFFFAOYSA-N 435.549 5.207 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@H](C(=O)c4ccc(F)cc4)C3)c2)c1 303763886 PFXZCFRLHYXVBZ-QHCPKHFHSA-N 442.490 5.011 30 20 IKED COc1cc(CN[C@H](c2ccccc2)C2(CO)CCC2)ccc1OCc1cccc(C#N)c1 433303153 ZUGDETMQLSYUBD-HHHXNRCGSA-N 442.559 5.139 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cc(C#N)ccc3F)cc2Cl)c1 437961322 HHQKJMXWITZUFP-UHFFFAOYSA-N 434.858 5.123 30 20 IKED CCOc1ccc(-n2c(S[C@@H](C)c3cccc(C#N)c3)nnc2-c2ccncc2)cc1 442894959 CNADSLXYCWGMJK-KRWDZBQOSA-N 427.533 5.453 30 20 IKED CN(Cc1ccc(F)cc1F)C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444009285 BSDQTFCEBCPHTB-INIZCTEOSA-N 440.334 5.819 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444020733 KUODPRUZHSEQPA-KRWDZBQOSA-N 429.364 5.412 30 20 IKED CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 462440948 NJZOILUDIACHDM-NRFANRHFSA-N 443.503 5.447 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@](C)(C#N)C(C)(C)C)c(OC)c1 464169145 RLKLDDXBABEUCH-AREMUKBSSA-N 433.552 5.229 30 20 IKED C=C(C)C[C@@H](C)C(=O)Nc1ccccc1NC(=O)c1ccccc1I 466241050 TUFATUGGUNMWSK-CQSZACIVSA-N 448.304 5.084 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCC3CCC(C(F)(F)F)CC3)c2)c1 466613972 MOXBJXKWSVJKQL-UHFFFAOYSA-N 444.457 5.301 30 20 IKED CCOCCOCc1cccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1C 467612375 ZAWBGMGFOFYBHT-UHFFFAOYSA-N 445.519 5.856 30 20 IKED C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccc(-c2ccncc2)cc1 467769343 HZPQONSZRJAOLG-QGZVFWFLSA-N 439.544 5.550 30 20 IKED CCN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 469204688 PFMHLGBFXVZZGQ-JTHBVZDNSA-N 428.580 5.243 30 20 IKED N#C[C@H](NC(=O)c1ccc(Sc2ccccc2Cl)nn1)c1cccc(C(F)(F)F)c1 469298670 OYTWUSVUEXECJY-INIZCTEOSA-N 448.857 5.295 30 20 IKED Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 470266432 YWCDQHYVFBMRTF-FTJBHMTQSA-N 426.516 5.096 30 20 IKED Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 470556924 SQXGLACILKDLCV-HSZRJFAPSA-N 430.552 5.337 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Nc2ccccc2O[C@H]2CCOC2)cc1 470593266 WZYXTDQMFATIKN-FQEVSTJZSA-N 445.475 5.171 30 20 IKED COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1cc(C#N)ccc1C)CCO2 473337564 CFYDLAIPKPHARF-XMMPIXPASA-N 427.504 5.433 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2CCN(C3CCCCC3)CC2)cc1 473631033 VDWPNBWMFGLLDP-UHFFFAOYSA-N 448.567 5.278 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@]4(C3)OCc3ccccc34)cc2Cl)cc1 473653497 HIVGCUZNSYOOIO-RUZDIDTESA-N 445.906 5.667 30 20 IKED Cc1ccc(C#N)cc1NC(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 474482369 KVDNYDJXEGNLFT-OAQYLSRUSA-N 435.325 5.130 30 20 IKED N#Cc1cccc(COc2cccc(CNC3CC(N4CCC(C(F)(F)F)CC4)C3)c2)c1 475344582 WTXQHHZAQKIVIQ-UHFFFAOYSA-N 443.513 5.032 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(O)nc2ccc(Br)cc12 476118406 MCKLBZUFIIVNPN-UHFFFAOYSA-N 425.326 5.807 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCCOc1ccc(Cl)c(F)c1 479578093 WIQMNNUARHVITA-AWEZNQCLSA-N 438.977 5.482 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1 479578104 WIYREQCSOYSJOL-UHFFFAOYSA-N 447.604 5.011 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)c1 479790275 UVHVQQRCEKIRHT-FQEVSTJZSA-N 428.410 5.024 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1 480269730 XDCVZHKIRDOSOQ-UHFFFAOYSA-N 433.961 5.147 30 20 IKED Cc1nc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c(-c2ccccc2)s1 483844418 COIZLIPEYYMJIZ-UHFFFAOYSA-N 426.501 5.738 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)cc1 486117452 FQLYUQCJDPBVPE-IBGZPJMESA-N 435.421 5.065 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)nc2ccccc21 487869337 FBBQRUUTWFNIQI-IBGZPJMESA-N 428.473 5.123 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)N(C)[C@H](C)c3ccc(Cl)cc3)o2)cc1 489785645 AKFVWYACLSHNSP-OAHLLOKOSA-N 443.956 5.267 30 20 IKED CN(C)CCCC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 490402529 QOGRAAFBWKRDDE-QHCPKHFHSA-N 439.003 5.581 30 20 IKED COc1ccc([C@H](NCc2cc(C#N)ccc2Br)c2ccc(F)cc2)cc1 492509262 GIMCXTMACZCSAU-JOCHJYFZSA-N 425.301 5.348 30 20 IKED CC(C)Cn1ncc(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1C(C)C 499582470 AKMCGZTVEHEEEG-UHFFFAOYSA-N 444.539 5.430 30 20 IKED C=CCc1cc(CNCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc(OC)c1O 500269717 QVVGMPYYMIZTRN-UHFFFAOYSA-N 443.522 5.411 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 502229102 PJOPDYDXMFABCS-FQEVSTJZSA-N 441.535 5.295 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc2cnn(CC)c2c1 502645375 AFLQRXQCVDLVDH-UHFFFAOYSA-N 431.309 5.178 30 20 IKED C[C@H](NC(=O)N1CCC(F)(C#N)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 503104277 LSYSOJHCDOFLRF-ZDUSSCGKSA-N 425.451 5.532 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)n2)cc1 503584667 IJRWXCLQRMZCBS-HSZRJFAPSA-N 435.508 6.273 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)N(C)c3ccccc3)n2)o1 504556900 WXRITAUIGWLJMM-UHFFFAOYSA-N 431.439 5.296 30 20 IKED COc1cc(OC)c(NC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1Cl 505438391 OVYGBOMKLJSJAY-SNVBAGLBSA-N 449.866 5.005 30 20 IKED CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1ccc(F)cc1C#N 507822180 HCBUGFWZBRNBNS-UHFFFAOYSA-N 427.829 5.219 30 20 IKED CC(C)N(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C(C)(C)C#N)cc1 509550354 UZWSVCLPFHCEBV-UHFFFAOYSA-N 432.337 5.832 30 20 IKED C[C@H](c1ccccc1F)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 511556871 UZRIGLDEHOZTOZ-SNVBAGLBSA-N 436.327 5.021 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)cc1 513027693 NTZZIPUJEYFOPE-UHFFFAOYSA-N 432.958 5.014 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 513877197 WKUYVWDCHABNQT-LJQANCHMSA-N 448.567 5.064 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccccc1S[C@H](C)CC#N 519515342 CXBONFCWXJFJGE-OAHLLOKOSA-N 438.984 5.718 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ncc(-c3ccccc3)o2)cc1Cl 520476829 NDFHOXHVSMUHQI-NRFANRHFSA-N 442.906 5.972 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 521327070 PFANOJDPNGXNOB-AWEZNQCLSA-N 448.013 5.287 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl 521328740 FYQXSGSNNIIJTI-JTQLQIEISA-N 435.785 5.842 30 20 IKED COCCSc1ccc([C@@H](C)NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 521929818 SJDIOIKAPXHNRG-LJQANCHMSA-N 446.572 5.774 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2csc(-c3ccccc3)n2)cc1 522431319 AITORGREHCLAKP-UHFFFAOYSA-N 426.501 5.796 30 20 IKED Cn1cc(Nc2cccc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)c2)cn1 531773256 HBJCZRFOMAIMGS-UHFFFAOYSA-N 427.439 5.219 30 20 IKED C=C[C@@H](CC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)c1ccccc1 534008834 AAPIQBSPADHNPP-HNNXBMFYSA-N 428.410 5.849 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cnc(-c4cccnc4)s3)c2)cc1 536414114 INKPOPRRPUNUMX-UHFFFAOYSA-N 426.501 5.102 30 20 IKED C=CCN(C(=O)Nc1ccccc1-c1ccc(-c2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 539454580 LOCMSTQTEKGDQO-QHCPKHFHSA-N 446.572 5.228 30 20 IKED CC(C)N1CCc2nc(NC(=O)c3ccccc3Sc3ccccc3C#N)sc2C1 542201346 KSVLKEKXFMMEPR-UHFFFAOYSA-N 434.590 5.185 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)CCCc3ncc(-c4ccccc4)o3)n2)c(Cl)c1 543000575 DLGYNIMGTAIGRO-UHFFFAOYSA-N 431.883 5.014 30 20 IKED C[C@H](NC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)c1ccc(-c2cccc(C#N)c2)cc1 543016628 JCPQXHJJECIHEF-DFBJGRDBSA-N 429.520 5.270 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccccc1C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 543924654 SMIKNLAPJBJOSS-HNNXBMFYSA-N 437.421 5.060 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)CC3CCC(C(F)(F)F)CC3)s2)cc1 543972620 JPFRLSQJLYEEGJ-UHFFFAOYSA-N 440.516 5.399 30 20 IKED C=C(C)Cn1c(SCc2nc(CSc3ccc(F)cc3)no2)nnc1-c1ccco1 546939343 MLEWLANKUWJWML-UHFFFAOYSA-N 443.529 5.221 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc(C3CCCC3)no2)cc1Cl 548287905 RCWQROXOJDXPNR-UHFFFAOYSA-N 427.291 5.825 30 20 IKED N#CC1(N(C(=O)c2ccc(COc3ccccc3Br)cc2)C2CC2)CCC1 551630833 GGIOBUCQMLGBCA-UHFFFAOYSA-N 425.326 5.079 30 20 IKED N#C[C@H](C(=O)c1cnc2ccccc2c1C(F)(F)F)c1nc2ccccc2n1C(F)F 552841612 TZZGKMIVHKELHX-GFCCVEGCSA-N 430.336 5.488 30 20 IKED C[C@@H]1CN(C(=O)c2cc(C#N)ccc2Cl)c2ccccc2N(Cc2ccccc2)C1=O 556924007 GYGXRANVKWRQJQ-QGZVFWFLSA-N 429.907 5.041 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1F)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 556970739 PKRHBDHOGWEXNU-CYBMUJFWSA-N 444.278 5.454 30 20 IKED C=C(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(OCCOC)CC1 558962838 CFYXDACVENJLGS-UHFFFAOYSA-N 447.004 5.021 30 20 IKED COc1ccccc1SC[C@@H](C)CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 562108819 JRVAHJIBKLDKAB-KRWDZBQOSA-N 448.548 5.304 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC1(c2ccccn2)CCC1 562148072 XQTVSZREWBVFRR-UHFFFAOYSA-N 426.520 5.084 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc4cc(Br)cnc34)cc2)nc1 574553687 KXELNAXBDQQAOB-UHFFFAOYSA-N 445.276 5.309 30 20 IKED C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 578528370 VYKHWOHRBXRBGS-OAHLLOKOSA-N 448.518 5.084 30 20 IKED O=C(Nc1cccnc1C(F)(F)F)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 582868419 BKUSVVBAFHFVPY-UHFFFAOYSA-N 435.343 5.612 30 20 IKED COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2sc(C)c(C)c2C#N)c1 603444682 URJOFPMMJDMLHP-UHFFFAOYSA-N 428.517 5.350 30 20 IKED Cc1cc(Br)oc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603766746 WMSFQCBNCSDHDU-MRXNPFEDSA-N 429.701 5.912 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(-c4ccccc4F)on3)cc2F)c1 609104655 KPTLNNQSUXUAHO-UHFFFAOYSA-N 431.398 5.323 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)Cc3coc(-c4ccc(Cl)cc4)n3)s2)cc1 609165172 PBHBATIVIWHKPU-UHFFFAOYSA-N 434.908 5.095 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N(Cc3ccccc3)C[C@@H]3CCCO3)c2)cc1 609209249 GLTQFYWXZVKGPF-VWLOTQADSA-N 427.504 5.564 30 20 IKED Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)s1 609322350 AREMEEWCKLFKDV-HNNXBMFYSA-N 438.528 5.575 30 20 IKED Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)s1 609322407 HBNTXFKQFPCJHO-QGZVFWFLSA-N 434.565 5.744 30 20 IKED CCN(CC)Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)o1 609381664 GNVGZWPXNKPDID-UHFFFAOYSA-N 425.476 5.398 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(F)cc2cccnc12 609388714 FIGHVXUEIUUJGB-OAHLLOKOSA-N 425.554 5.640 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 609430254 HDLTUKKNXZEUBW-QGZVFWFLSA-N 446.532 5.853 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 609437046 MELROBGPDSRLHV-OALUTQOASA-N 435.618 6.938 30 20 IKED COCCOCc1cccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 609601439 OHCVKQAQDUSDDW-QHCPKHFHSA-N 449.938 5.802 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)cc1C 609912609 CSUJJCCLHHWRNA-UGKGYDQZSA-N 430.527 5.238 30 20 IKED C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 609957347 GJARIDLLZHJANO-QGZVFWFLSA-N 447.922 5.032 30 20 IKED COc1cc(C#N)ccc1OCCSCc1csc(COc2ccc(F)cc2)n1 610136718 KAHKFECYVCTDTB-UHFFFAOYSA-N 430.526 5.054 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F 610167089 SPKLMSXDWFDPSL-YVEFUNNKSA-N 427.879 6.159 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3cccnc3)CC2)cc1Cl 611261037 VSNLLHXPGHGBGK-QHCPKHFHSA-N 430.939 5.802 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC=C(c2ccc(F)cc2)CC1 612805555 KBVCNXWCSKKHSD-HUUCEWRRSA-N 438.387 5.534 30 20 IKED COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 615200575 NEWXKOSUCLXRMF-UHFFFAOYSA-N 434.879 5.396 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(-c4ccc(C)cc4C)s3)n2)cc1 622283152 FWZHBVOOGMGWQX-IBGZPJMESA-N 429.570 6.349 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(O)c3c(-c4ccccc4)csc3n2)nnc1C1CC1 645075555 OBWQFSOYCAKVLX-ZDUSSCGKSA-N 435.578 5.572 30 20 IKED N#CCCCOc1cccc(NC(=O)c2ccsc2NC(=O)c2ccccc2Cl)c1 730210852 GESXPVREWIOJRF-UHFFFAOYSA-N 439.924 5.589 30 20 IKED CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 730422300 VWADOGIISBCEIG-AEFFLSMTSA-N 443.931 5.110 30 20 IKED N#C[C@@H](C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1nc2cc(F)ccc2s1 730422569 YRAKNWMNPRFZPP-FPOVZHCZSA-N 442.471 5.380 30 20 IKED CSCC(=O)Nc1ccc(OC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 732062972 YWROZNJZWZFZTK-UHFFFAOYSA-N 432.501 5.066 30 20 IKED C=CCOc1ccc(/C=C/C(=O)N(CC)[C@H](c2ccc(C)cc2)c2cccnc2)cc1OC 732964236 UKVZUUGMDRXRBS-NPJYZCEWSA-N 442.559 5.615 30 20 IKED C=CC[C@H](NC(=O)CCc1c(-c2ccc(OC)cc2)[nH]c2ccccc12)c1ccncc1 734237267 MSUYHYYVCJPVEN-DEOSSOPVSA-N 425.532 5.605 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1nc(-c2ccccc2F)oc1C 737517842 NVHVNUWVWPDKDI-UHFFFAOYSA-N 427.435 6.014 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N[C@H](c3ccccc3)c3nccs3)c2)s1 740060172 PTCLRQBDVJXTPG-OAQYLSRUSA-N 430.558 5.332 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(c2ccc(C)c(F)c2)C(=O)N[C@@H]1c1ccc(C#N)o1 743742789 UCAMZEWZEPSSCI-JOCHJYFZSA-N 433.414 5.009 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(-c2cccnc2)cc1 747536273 AQNZMAKEUDSAFM-NFQMXDRXSA-N 432.527 6.287 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)cc1 748617652 AGLVHPXGLGBSOD-DNVJHFABSA-N 431.333 5.847 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 749002804 IJTUYRJSUAQHJJ-UHFFFAOYSA-N 428.989 5.209 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(C2CC2)[C@H](C)c2ccccc2Cl)cc1C#N 752295414 TWWWDIXBWNEOKM-CQSZACIVSA-N 426.904 5.538 30 20 IKED N#C[C@@H](C(=O)C[C@@H]1CSCCS1)c1nc(-c2ccc(Cl)cc2Cl)cs1 752476011 IXYOZECBCNDKLS-YPMHNXCESA-N 429.419 5.532 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)CCO2)c1 762295786 MKFPYTNZZGGCSE-XMMPIXPASA-N 443.890 5.089 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN(CC)Cc2cccc(-c3ccncc3)c2)c1=S 765037724 PHSYKPXPQGVGLV-UHFFFAOYSA-N 442.592 5.204 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)c3ccc(Br)cc3)n2)cc1 766623769 DHKOOPIPPYJMAK-UGSOOPFHSA-N 441.350 5.561 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N[C@@H](C)c2cccc(OC(F)(F)F)c2)c1C(F)F 769262843 VNWPZXNXRBPQAC-QMMMGPOBSA-N 445.310 5.249 30 20 IKED N#CCCn1cc(CNc2ccc(OC(F)F)cc2OC(F)F)c(-c2ccccc2)n1 770421926 NZWVLLRJNIGYST-UHFFFAOYSA-N 434.393 5.279 30 20 IKED Cn1c(CSc2nc3ccccc3s2)nnc1SCc1cccc(C#N)c1F 774616762 VZEWZHOIOYZUTG-UHFFFAOYSA-N 427.555 5.020 30 20 IKED CC[C@@H](C#N)Oc1cc(CNCc2nc3ccc(Br)cc3s2)ccc1OC 774992610 QOBCVSSJWNRDFV-HNNXBMFYSA-N 446.370 5.038 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(Cc3ccc(O[C@H](C)C#N)cc3)C2)n1 775205463 HXWVWTMICOKJBZ-QUCCMNQESA-N 433.577 5.489 30 20 IKED FC(F)(F)c1cnc2c(c1)C(=NNc1nc(C(F)(F)F)nc3ccccc13)CCC2 777430999 UZTVGYVSLOJMTF-UHFFFAOYSA-N 425.336 5.215 30 20 IKED C[C@H](OC(=O)[C@H]1CC[C@H](C(=O)O[C@@H](C)c2ccc(C#N)cc2)CC1)c1ccc(C#N)cc1 778024959 SLYHADJVVBMWKJ-MQQADFIWSA-N 430.504 5.145 30 20 IKED C=CC[C@H](NC(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1)c1ccncc1 779574420 HAIQEGNGPMFVFN-DLBZAZTESA-N 442.279 5.454 30 20 IKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 780148516 MKOYRJGHHMFSJF-SFHVURJKSA-N 438.487 5.091 30 20 IKED O=C1/C(=C/c2scnc2C2CC2)CN(c2ccccc2)C/C1=C\c1scnc1C1CC1 782328982 RUDPLNNVIGSXOL-XOBNHNQQSA-N 445.613 5.911 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)Nc3cccc(C#N)c3)cs2)cc1 783698180 YJRXBYSVFKCWAB-UHFFFAOYSA-N 434.521 5.205 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N(Cc1cccc2ccccc12)C1CCCC1 784398790 UZUAQCDIEYFCIV-IBGZPJMESA-N 441.531 5.041 30 20 IKED Cc1ccnc2sc(C(=O)[C@H](C#N)C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)c(C)c12 786514061 TUSONVZLRCFMCX-WFASDCNBSA-N 446.359 5.420 30 20 IKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccsc1 790735773 KHVFTEZSINLIFL-KRWDZBQOSA-N 446.985 5.056 30 20 IKED CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)[C@H](C#N)c1nccc2ccccc12)OCC3 792103528 SFSKUILALROBST-FIPFOOKPSA-N 437.543 5.723 30 20 IKED C[C@H](/N=C/c1cc(Br)cc(Br)c1O)[C@@H]1OCCc2sccc21 793667182 IACIQYQIIQXJOI-SVRVRFGMSA-N 445.176 5.100 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(Cc4ccccc4)c3Cl)n2)cc1 796890710 WLCBKIZDTHSHNJ-GOSISDBHSA-N 448.935 5.207 30 20 IKED CC1(C(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)CCN(c2ccc(Cl)cc2C#N)CC1 804442142 OCOZYVKQMCPDIX-OAQYLSRUSA-N 449.982 5.381 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)OCCc2nnc(-c3ccccc3)o2)cc1 806113594 WPGWAISFSVUIPJ-UHFFFAOYSA-N 427.485 5.159 30 20 IKED CC(C)(CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)N1CCc2ccccc2C1 915350235 NNGYRKCKYAKYAZ-SANMLTNESA-N 438.575 5.300 30 20 IKED CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)CSc1nc(C)c(C)c(C)c1C#N 916538245 RLXNHWJOPJBVTD-KBXCAEBGSA-N 439.581 5.055 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2nc3ccccc3s2)s1 916905190 ITKFSMDZEJSDTQ-GFCCVEGCSA-N 437.933 5.639 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2cc(C)c3ccc(C)c(C)c3n2)cs1 917542573 GOMLIEVGAIHNHV-UHFFFAOYSA-N 443.576 6.056 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3cc(C)ccc3Cl)n2)cc1 920139327 RIYZWUSLBQCTLG-PBHICJAKSA-N 426.925 5.424 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@H](C)c2ccc(C)s2)c(C)c1 920173520 PRQQQZOZXLGAMO-OXQOHEQNSA-N 441.622 5.035 30 20 IKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)n1 920714656 ZHJFQPWANPETKX-KRWDZBQOSA-N 444.871 5.070 30 20 IKED N#C[C@H](C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc(-c2c(F)cccc2F)cs1 920805955 HOJCFBFCOJTVAI-CYBMUJFWSA-N 438.377 5.406 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCCCCC(C)(C)C)C1 1781928451 DPMIMQBBXXHVCF-YIXXDRMTSA-N 446.676 5.265 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)C4CC(F)(F)C4)cc3)CCC2)c1Cl 1785910643 WFTZXECIUALXBU-UHFFFAOYSA-N 443.881 5.005 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)Cc4c[nH]c5ccc(C)cc45)cc3)CCC2)C1 1786782125 SSLBDIOWCSFYDH-UHFFFAOYSA-N 427.548 5.119 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5cnccc5c4)cc3)CCC2)c1 1789014881 ZTOMLFVPYPDDNV-UHFFFAOYSA-N 446.510 5.168 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4nc[nH]c4c3)cc2)CCC1 1789279752 POGCCEGUJBWUHA-OAQYLSRUSA-N 428.536 5.079 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(NC(C)=O)c3)CCC2)cc1 1789455138 LOCYWMXQMVRIBP-XMMPIXPASA-N 445.563 5.161 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3[C@H]4c5ccccc5S[C@H]43)cc2)CCC1 1789529493 HQROGOFOLYHASL-DSNGMDLFSA-N 444.600 5.202 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3nc4ccccc4o3)cc2)CCC1 1790851229 DTBUOXCEPKNTLT-FQEVSTJZSA-N 429.520 5.344 30 20 IKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)CCC#N)CCC3)cc2)cccc1C(F)(F)F 1792168809 LJXPVYGJPRKRBO-UHFFFAOYSA-N 429.442 5.065 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Oc3ccccc3)cc1)C2 1798339935 HYCLZVRQGOHGKW-ZGXDEKTJSA-N 444.575 5.499 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(F)cc(Cl)cc1Cl)C2 1798591957 VBELBSJWSHQQLY-MUJYYYPQSA-N 441.374 5.377 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2C2CC2)[C@H]1c1cccnc1 1813757275 FGCZQVXPWGRRIW-RCZVLFRGSA-N 445.607 5.271 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2OCC)CC1 1828827168 IYXAFOFNCNGKDS-VWNXMTODSA-N 438.612 5.087 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)cc2F)CC1 1830773782 QLRTUTRSICBALQ-YADARESESA-N 444.591 5.058 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2cccc(O)c2)cc1 11259080 CNCAUUQAUZTTCQ-UHFFFAOYSA-O 425.961 5.255 30 20 IKED C=CCc1ccc(OCC(=O)N2CCc3sccc3[C@@H]2c2cccs2)c(OC)c1 45620186 RZLBMZMPVOMNPM-HSZRJFAPSA-N 425.575 5.100 30 20 IKED CCS(=O)(=O)c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 63594387 VBWKOEZUKDTXBU-OAQYLSRUSA-N 438.936 5.041 30 20 IKED C=CCc1cc(CNC(=O)N[C@H](C)c2cc3cccc(OCC)c3o2)cc(OC)c1OC 65284203 FPPARWBBNFPNRX-MRXNPFEDSA-N 438.524 5.138 30 20 IKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 72025266 BOHXMPKGDLTRQT-AREMUKBSSA-N 437.499 5.562 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1ccc(-c2ccc(Br)cc2)s1 72087465 VWICOMIGEGKSDK-UHFFFAOYSA-N 442.338 5.507 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)ccc1O[C@@H](C)C(=O)N(C)C 96766613 OURSJKYHNHQVQD-APFBBLRHSA-N 436.335 5.144 30 20 IKED CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 109071867 GYCBQPFJGOZLDA-GHTZIAJQSA-N 437.971 5.219 30 20 IKED C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)o1 409831690 NCCDCEXMKABAFM-FJTGNWTPSA-N 426.516 5.790 30 20 IKED O=C(c1cccnc1C(F)(F)F)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 410174484 SIYANTJQXFGARW-UHFFFAOYSA-N 436.327 5.100 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Sc1ccnc2cc(Cl)ccc12 426276747 HNLPEUXHBDIQHC-LSDHHAIUSA-N 442.009 6.259 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)nn1-c1ccc(Br)cc1 430599862 BKUTZXDESQUFLL-HNNXBMFYSA-N 443.370 5.187 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C)c1ccccc1 435747512 IXKDYEKWZGQSQI-HSZRJFAPSA-N 441.531 5.010 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)Cc2csc(-c3cccs3)n2)cc1F 437486300 PBTURKRZRLAYIV-UHFFFAOYSA-N 435.505 5.856 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)c1 437988291 ASYHNIQHGPFFKT-UHFFFAOYSA-N 427.451 5.071 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(COCC(F)(F)F)c1 442190696 FJOHGYJOZHTTTQ-OAHLLOKOSA-N 437.487 5.339 30 20 IKED Cn1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc2cc(C(F)(F)F)ccc21 442668382 DORJRTRFKLMUNE-ZDUSSCGKSA-N 432.352 5.432 30 20 IKED CSc1cccc([C@@H](NCC(=O)N(C)C2(C#N)CCCCC2)c2ccc(F)c(F)c2)c1 462184204 BCMMUTQUFUVMRN-HSZRJFAPSA-N 443.563 5.051 30 20 IKED C=CCn1c(S[C@@H](C(=O)OC)c2ccc(Cl)cc2Cl)nnc1-c1ccoc1C 463037232 LVGLLVPHJFVSDI-MRXNPFEDSA-N 438.336 5.346 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@](CO)(c4ccccc4)C3)cc2Cl)cc1 463500153 KVNRCEXORMUTFA-RUZDIDTESA-N 447.922 5.172 30 20 IKED N#CCCCOc1cccnc1NC(=O)N1CCC(c2cccc(Cl)c2Cl)CC1 463672469 ZETFGIGWOMRHFD-UHFFFAOYSA-N 433.339 5.482 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)cc1 464920713 VWUQGNVTJWDQPE-UHFFFAOYSA-N 433.895 5.267 30 20 IKED Cc1cc([C@H](C#N)C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)nc(C)n1 467832881 DIBRNZZFGCOMSG-KRWDZBQOSA-N 438.896 5.296 30 20 IKED O=C(Nc1cc(F)c(OC(F)F)cc1F)c1ccc(Br)cc1C(F)(F)F 468191521 IMMMBTYXKIPQFK-UHFFFAOYSA-N 446.116 5.600 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)CCCc3cccc(C(F)(F)F)c3)ccc21 469974009 NVRRAGTWHRIULD-UHFFFAOYSA-N 443.469 5.250 30 20 IKED CCCN(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[C@@H]1CCc2ccccc21 470546679 ADRKHDVRJWPJRE-XMMPIXPASA-N 430.552 5.201 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1ccccc1O[C@H]1CCOC1 470585649 WMFBCHXFJVFFAE-QFIPXVFZSA-N 443.503 5.257 30 20 IKED COC(=O)c1nc([C@H]2CCCN2C(=O)Nc2cccc(C#Cc3ccccc3)c2)sc1C 471168240 IJZPDALMKSFMHF-OAQYLSRUSA-N 445.544 5.007 30 20 IKED COC(=O)C[C@@H](NC(=O)c1cccc(SCC#N)c1)c1ccc(-c2ccccc2)cc1 471679491 YRZYNPWDRWNUAQ-HSZRJFAPSA-N 430.529 5.003 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 471721023 PGGYKWMOHKANJP-UHFFFAOYSA-N 444.840 6.256 30 20 IKED C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 473776004 ZPZVIDSNNNXPPW-UHFFFAOYSA-N 428.432 5.266 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N(C)S(=O)(=O)CC2(C#N)CCCCC2)cc1 476342561 YWBHIKOMUHZMNH-IBGZPJMESA-N 426.582 5.159 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc2)cc1 477832441 XUBIREGCQJXVGB-QHCPKHFHSA-N 435.508 6.159 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1coc(-c2ccc(OC)cc2)n1 481368735 FJEPQFXJHSNLST-UHFFFAOYSA-N 448.548 5.307 30 20 IKED N#C[C@H](C(=O)c1csc(-c2cc(Br)cs2)n1)c1nccc2ccccc12 483204199 WRXWXTGFXZDWCB-AWEZNQCLSA-N 440.347 5.672 30 20 IKED COCCOc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 484566716 UMGMGWBDQBTPBB-CQSZACIVSA-N 448.878 5.257 30 20 IKED CO[C@H](C)c1nc(C)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)s1 487335362 NEBJHFFAYIFFGH-CQSZACIVSA-N 441.940 5.515 30 20 IKED CC(C)c1c(NC(=O)c2ccc(COc3ccccc3C#N)o2)cnn1-c1ccccc1 489487702 XJADGWFIEOVROE-UHFFFAOYSA-N 426.476 5.292 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C(=O)N3CCc4ccccc4C3)C(C)C)o2)cc1 489790605 WNIWWIHPOALAAI-JOCHJYFZSA-N 449.576 5.003 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C)c(C(=O)N2CCCCC2)c1 490140790 YUBLFGLYPXYPEW-UHFFFAOYSA-N 431.989 5.556 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(N(C)c4ccccc4)nc3)n2)cc1 496557011 VXQRNHJDHMSJJU-OAQYLSRUSA-N 440.528 5.472 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@@H](c1ccccc1)C(C)C 497768694 LVMQQAOOPPVYAG-AREMUKBSSA-N 427.548 6.307 30 20 IKED N#C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1c(Cl)cccc1Cl 499858323 DRVDXDLLRMWGTH-AWEZNQCLSA-N 433.276 5.020 30 20 IKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2ccccc2-c2ccccc2)CC1 501113055 AELGYBDJOQXICE-UHFFFAOYSA-N 433.515 5.128 30 20 IKED C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1)C(=O)N(C)CCC#N 501558082 BHGXQWAPOAHWSF-QGZVFWFLSA-N 439.629 5.210 30 20 IKED N#C[C@@H](C(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1nc2cc(Cl)ccc2s1 502764243 VMHDFMOHYXRBGN-AWEZNQCLSA-N 446.841 5.644 30 20 IKED CCOCCOc1c(Cl)cccc1NC(=O)Nc1ccccc1S[C@H](C)CC#N 503217285 NEAQKRKMSYHBCL-OAHLLOKOSA-N 433.961 5.794 30 20 IKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)c12 505323460 URKKGTUYIQAFAE-CQSZACIVSA-N 440.381 5.510 30 20 IKED C=CCN(Cc1ccccc1)C(=O)c1ccc(C(=O)N(CC=C)Cc2ccccc2)s1 505600961 AQQQRMULSGMONR-UHFFFAOYSA-N 430.573 5.405 30 20 IKED Cc1cn2c(n1)[C@@H](CNC(=O)Nc1ccc(Oc3ccc(C#N)cc3)c(Cl)c1)CCC2 506037102 FNJXWQLXGANTLO-QGZVFWFLSA-N 435.915 5.208 30 20 IKED Cc1cccc(OC[C@@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 506342698 TXBWOFQVFUFMSO-HXUWFJFHSA-N 429.520 5.229 30 20 IKED COc1ccc([C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c2ccccc2OC)cc1 506684994 BEKUOXWNCZCHCT-SANMLTNESA-N 441.531 5.039 30 20 IKED N#Cc1cccc(COc2cccc(CN[C@@H](CC(F)(F)F)c3ccc(F)cc3)c2)c1 507822771 JEGWIEYIWXGUBC-QHCPKHFHSA-N 428.429 6.060 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3ccccc3O)CC2)cc1Cl 510022590 FFZHXUWEMFFMFO-NRFANRHFSA-N 446.938 5.055 30 20 IKED COc1ccc(NC(=O)c2cc(C#N)ccc2Cl)cc1OCc1ccc2ccccc2n1 510827172 CNYUBOIFPBFMNZ-UHFFFAOYSA-N 443.890 5.600 30 20 IKED CCc1cc(C#N)c(NC(=O)c2cc(-c3ccc(C)cc3)nc3c2cnn3C(C)C)s1 511112820 ZKJGLIYJKXIARH-UHFFFAOYSA-N 429.549 5.736 30 20 IKED CC(C)c1c(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccc(Cl)cc1 513173329 YNBIYGNBEMXXKP-INIZCTEOSA-N 432.833 5.553 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc1 515098299 HGWSXXCEPUWWQV-QHCPKHFHSA-N 432.545 5.020 30 20 IKED CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1 518014029 BRHVTIAXKOGSHQ-QGZVFWFLSA-N 443.507 5.052 30 20 IKED Cn1ccnc1[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccccc1F 518256977 UPYPSUTUYJFQFT-HSZRJFAPSA-N 441.466 5.134 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1nc(-c2cccs2)no1 519415363 KPBNRHVXADDURP-ZIAGYGMSSA-N 444.607 5.625 30 20 IKED N#Cc1cccc(CNC(=O)CSCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 519894113 YVXMJCGMPHULLD-UHFFFAOYSA-N 447.507 5.250 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cccc(N2CCCC2=O)c1 519988315 NCYLVSCRHRRWKD-GOSISDBHSA-N 440.503 5.360 30 20 IKED CC1CCN([C@@H](CNC(=O)Nc2ccccc2S[C@H](C)CC#N)c2cccs2)CC1 520197132 VVRBQQVOLISVGG-QUCCMNQESA-N 442.654 5.737 30 20 IKED Cc1nc(CCC(=O)Nc2ccc(C#N)c(Cl)c2)oc1-c1ccc(Br)cc1 520724228 GVDMDYILNUEJEC-UHFFFAOYSA-N 444.716 5.509 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 520923211 FFSXNFJTDJOYGM-INIZCTEOSA-N 447.560 5.262 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C)O[C@H](C)C2 521662636 RQHXLMCRYQDXMO-RVSNTGDXSA-N 447.579 5.004 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 523607583 KFLFPRUUVHFSOD-UHFFFAOYSA-N 444.466 5.186 30 20 IKED COc1cc2c(cc1F)CN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1C)CC2 537513762 RSKRHWWHSGDPGV-UHFFFAOYSA-N 431.467 5.397 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 538258178 VNWKFZCTLGYERP-IRXDYDNUSA-N 445.588 5.462 30 20 IKED C=CCCC[C@@H](C)NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)C(F)(F)F 538338127 ZDTWTLAKVDRLHC-LLVKDONJSA-N 436.812 5.049 30 20 IKED C=CCC[C@H](NCc1nc(O)c2cc(OC)c(OC)cc2n1)c1ccc(C(F)(F)F)cc1 539334046 LAQGGXXOAFSCCU-KRWDZBQOSA-N 447.457 5.169 30 20 IKED N#Cc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)ccc1Cl 541606150 MQYPIFRNCCBPPJ-UHFFFAOYSA-N 443.812 5.735 30 20 IKED Cc1cccc(-c2nc(CC(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)cs2)c1 542038164 QHEWWPJQDFZCMZ-UHFFFAOYSA-N 433.924 5.011 30 20 IKED C=CCn1c(S[C@@H](C)c2nccn2-c2ccccc2)nnc1[C@@H]1COc2ccccc2O1 553365510 MQORDGSAAMRNJZ-UWJYYQICSA-N 445.548 5.016 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1 561754358 MUNXAKQJUYATPY-RBBKRZOGSA-N 444.556 5.300 30 20 IKED Fc1cc(C(F)(F)F)c(F)cc1CN1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 561899909 CVXAVQSUWUWUQD-ZDUSSCGKSA-N 429.311 5.199 30 20 IKED Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)Nc2cccc(OCCCC#N)c2)cs1 570322876 HDOFXOZEYGHHAY-UHFFFAOYSA-N 437.540 5.857 30 20 IKED N#Cc1cnc2c(F)c(F)c(F)cc2c1Sc1nnc(-c2ccc3ccccc3c2)o1 573470359 MXVDUNYFDZRDHP-UHFFFAOYSA-N 434.402 5.878 30 20 IKED CC1(C(=O)N(Cc2cccc(F)c2)C2CC2)CCN(c2ccc(Cl)cc2C#N)CC1 577534494 MYXQGQPSMSYVEA-UHFFFAOYSA-N 425.935 5.148 30 20 IKED C[C@@H](NC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(C#N)c1 585745419 SAKOLBKAGPZITN-GFCCVEGCSA-N 429.364 5.498 30 20 IKED C=C(C)COc1cccc(NC(=O)NCc2ccc(Oc3ccccc3OCC)nc2)c1 589738944 GJWWHCFPDMMIEZ-UHFFFAOYSA-N 433.508 5.549 30 20 IKED Cc1ccc(-n2ncc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c2C(C)C)cc1 603623252 PGFWCFPOZLEXRX-UHFFFAOYSA-N 437.503 5.615 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)o1 603839574 DUBBWCRVDYULLS-UHFFFAOYSA-N 443.484 5.296 30 20 IKED Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1Cl 603987979 UYVXUUXQJDDVRU-UHFFFAOYSA-N 434.304 5.162 30 20 IKED N#Cc1cccc(COc2cccc(NCC(=O)Nc3ccc(Cl)cc3Cl)c2)c1 604006993 IRTOUKONDVNGSG-UHFFFAOYSA-N 426.303 5.495 30 20 IKED CC(C)(C)Cc1nc(-c2cccc(C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)c2)no1 608552987 GHRBPAJLXZYHLL-INIZCTEOSA-N 434.496 5.564 30 20 IKED N#Cc1ccc(C(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)cc1 608850707 KKGRASLHVBNVMZ-UHFFFAOYSA-N 429.863 5.698 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 608918444 LHOGZMWPORNDJY-HZPDHXFCSA-N 435.412 5.388 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCCc2c[nH]c3ccccc23)cc1 609355680 PSAQNRAZTLNUEV-UHFFFAOYSA-N 438.531 5.567 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1sccc1Br 609378306 CDATTYBXKWQGTG-UHFFFAOYSA-N 435.290 5.787 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3nc(-c4ccc(Cl)cc4)no3)c2)cc1 609682247 FDWGBVOIRGVSAA-UHFFFAOYSA-N 445.866 5.376 30 20 IKED CSc1cccc([C@H](NC(=O)N[C@H](C)c2cccc(C#N)c2)c2ccc(F)c(F)c2)c1 610355242 LXEBIQKFYFEMFE-CMJOXMDJSA-N 437.515 5.708 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N(Cc2ccccc2)C(C)C)nnc1-c1ccccc1F 613390914 ZRWJJAKWZYOFJB-GOSISDBHSA-N 438.572 5.188 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1nc2c(cc1C#N)CCCC2 614298833 JLYJNWPQBNNCLK-UHFFFAOYSA-N 442.466 5.535 30 20 IKED O=C(CSc1cccc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618297548 KKDCYZIDPVYGPI-QWRGUYRKSA-N 439.343 5.387 30 20 IKED C=CCn1c(SCc2ccc(OC(F)(F)F)cc2)nnc1[C@H]1COc2ccccc2O1 641859600 UJSDRCZVPGYPKW-GOSISDBHSA-N 449.454 5.168 30 20 IKED CCC(=O)c1ccc(OCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 642602503 CEHPSAAUURTALS-JOCHJYFZSA-N 432.907 5.606 30 20 IKED C=CCn1c(S[C@H](C)c2nc(N)c3c(C)c(C)sc3n2)nnc1-c1ccccc1F 668997017 NKHSNMJEXIGUPG-CYBMUJFWSA-N 440.573 5.327 30 20 IKED O=C(Nc1cc(Cl)ccc1C(F)(F)F)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 672811665 CRZAOXIFSARTCG-IUCAKERBSA-N 428.682 5.563 30 20 IKED Cc1onc(-c2ccncc2)c1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 675908283 JOFUNHQMQJDAKZ-ZDUSSCGKSA-N 428.395 5.164 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1Cl 678728616 KXNKWBDKIIIYTP-MYJAWHEDSA-N 441.721 5.998 30 20 IKED N#Cc1ccc(NC(=S)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1Cl 726467884 FALJXNYFXGOHSO-UHFFFAOYSA-N 438.915 5.090 30 20 IKED COC(=O)c1sc2ncc(C(C)=NNc3ccc(OCC(F)(F)F)cc3)cc2c1C 727262687 UXACIEAWHIOWRX-UHFFFAOYSA-N 437.443 5.169 30 20 IKED COc1ccc2[nH]cc(C=Nn3c(C)nc4scc(-c5ccc(Cl)cc5)c4c3=O)c2c1 730141476 JEALLUPOXGTMMA-UHFFFAOYSA-N 448.935 5.459 30 20 IKED C[C@H](OC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)C(=O)Nc1ccccc1C#N 730375751 BCDFYGMCEHMDSV-ZDUSSCGKSA-N 442.443 5.072 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2cc(Br)cs2)cc1 730686722 IGUFTHHBAQWASJ-GOSISDBHSA-N 433.371 5.133 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1C=O 730953910 YYAFWBBYLKRLEU-GOSISDBHSA-N 430.529 5.578 30 20 IKED N#C[C@@H](NC(=O)Cn1c(SC(F)F)nc2ccccc21)c1cccc(Cl)c1Cl 731196076 WPWJNMNLQAYXDK-CYBMUJFWSA-N 441.290 5.039 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1)c1nc2ccccc2o1 733681735 ZLVAOCJBVOPWLF-MTOHEIAKSA-N 447.922 5.131 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2CN(C)C2CCCCC2)c1 733842223 UCHILZCSFUGJBE-QHCPKHFHSA-N 434.584 5.454 30 20 IKED C[C@H]1COCCN1c1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 737726058 GXQWXQAVKDYRGB-KRWDZBQOSA-N 447.922 5.481 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1C 739668786 JCPXDMDSHKBKKO-UHFFFAOYSA-N 444.498 5.223 30 20 IKED CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)o1 742537489 KPWPPLPHKSXXMT-NRFANRHFSA-N 431.492 5.212 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)cc1F 742961752 NFJBNMBAZLHBMJ-JOCHJYFZSA-N 443.478 5.123 30 20 IKED C=CCOc1ccc(/C=C2/SC(=S)N([C@H]3CCOc4ccccc43)C2=O)cc1Cl 743283533 BYGCTDAFBASRKQ-NNIWKIFQSA-N 443.977 5.630 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)OC(=O)Cc1ccc(C#N)cc1 744319209 CIHOKUAUUSAMHZ-CQSZACIVSA-N 441.350 5.600 30 20 IKED C[C@H](OC(=O)[C@@H](C)Oc1ccccc1C#N)C(=O)N1c2ccccc2Sc2ccccc21 744692040 PGDVKOTWZFNATJ-DLBZAZTESA-N 444.512 5.087 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3ccc(-c4ccc(Cl)cc4)cc3F)o2)cc1 744973039 GMURRGQVGIEDON-UHFFFAOYSA-N 433.826 5.425 30 20 IKED Cc1ccc(N(C)C(C)C)c(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 745121343 HSLCBSWLVSJRQD-SFHVURJKSA-N 439.581 5.029 30 20 IKED COc1cc(C(=O)/C=C\c2ccc(OCCC(C)C)cc2)ccc1S(=O)(=O)C(F)F 747065718 DAIZVPNBERUGTF-POHAHGRESA-N 438.492 5.013 30 20 IKED N#C[C@H](C(=O)CSCc1ccc(Br)cc1F)c1ccc2ccccc2n1 748006981 VHDYMCCDSGKCGB-INIZCTEOSA-N 429.314 5.246 30 20 IKED C[C@H](c1nc2ccccc2s1)[C@@H](C)OC(=O)CCC(=O)N(CCC#N)c1ccccc1 749220571 OXXCUSACPZGDLT-ZWKOTPCHSA-N 435.549 5.059 30 20 IKED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)C1 750687131 KRCVMHQDAUMSSE-ZHRRBRCNSA-N 445.972 5.287 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(OC)c(-c3ccccn3)c2)cc1 754822256 LTRCMYLDBZTCDG-VGOFRKELSA-N 427.504 5.232 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1c(C(F)(F)F)ccnc1Cl 759462279 PLVHUFVTKOVPTH-RNFRBKRXSA-N 442.709 5.393 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)N[C@H](c3ccccc3)c3cccc(Cl)c3)CCO2)c1 761668011 CSNBTTZYHBNLHM-BJKOFHAPSA-N 431.923 5.084 30 20 IKED CC(=NOCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)c1nc2ccccc2n1C(F)F 762672546 XPFOZGNMUCWACG-AWEZNQCLSA-N 434.874 5.045 30 20 IKED N#Cc1cnc2ccc(Cl)cc2c1N1CCC(O)(c2ccccc2C(F)(F)F)CC1 764915547 ZHXVDRLYXVGUQL-UHFFFAOYSA-N 431.845 5.267 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(O)(c3ccccc3Cl)CC2)cc1 765234491 LGWTWTHEXKETFD-JOCHJYFZSA-N 445.950 5.511 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)c1nc(-c2ccc(Cl)cc2)cs1 766840755 IRXYQNCKLCNCOA-QLFBSQMISA-N 432.854 5.861 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 767883580 NEHOISGZHKPEBH-ACJLOTCBSA-N 432.293 5.248 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H]2CCCc3nc(-c4ccc(C)cc4)sc32)ccc1OC 772987156 TUUUBDKBCSCUGZ-NHCUHLMSSA-N 447.604 5.975 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc1 773261616 PQZZSGTUHZOAOC-TWJOJJKGSA-N 443.522 5.601 30 20 IKED N#CCc1ccccc1CC(=O)N[C@@H](c1cccc(F)c1)c1cccc(Br)c1 777014376 GKGOCPATZWJFRX-HSZRJFAPSA-N 437.312 5.103 30 20 IKED N#CCc1ccccc1CC(=O)OCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 777164734 RZRRAOKLLHJNHT-UHFFFAOYSA-N 446.117 5.091 30 20 IKED Cn1cc(CNc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)c(-c2ccc(C#N)cc2)n1 778103630 VMHKRYUNELSSTH-UHFFFAOYSA-N 443.551 5.259 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 780161928 WQOYWKZDCVABCO-HNNXBMFYSA-N 432.867 5.329 30 20 IKED COc1ccc(CC[C@H]2CCCCN2C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1OC 780671254 VVCZNFFKONHROY-AZUAARDMSA-N 437.540 5.014 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)Nc3ccccc3O[C@@H](C)C#N)s2)cc1 780679327 ASWRYVHFIISGHE-WMZOPIPTSA-N 434.565 5.943 30 20 IKED C[C@@H](NC(=O)[C@H](C#N)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccc(Cl)cc1Cl 787052454 ZAHLKNVYQZIFGJ-MLGOLLRUSA-N 447.366 5.022 30 20 IKED COCCC[C@H](Cc1ccccc1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 791751056 MWOVSYDOUAJTJW-CLJLJLNGSA-N 427.548 5.501 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N[C@@H](C#N)c1ccc(Br)cc1 792970785 KLOSVNCPZNRSHC-SFHVURJKSA-N 444.329 5.099 30 20 IKED N#CC[C@@H](CC(=O)Nc1sc2c(c1C(N)=O)-c1ccccc1CCC2)c1ccccc1 796642399 CIZBSKKCKRJSCE-SFHVURJKSA-N 429.545 5.029 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)s1 797570885 KJLMGAXUWGDUNL-RXVVDRJESA-N 445.588 5.322 30 20 IKED CN(CC(=O)[C@@H](C#N)c1nc(O)c2ccccc2n1)[C@@H](c1ccc(Cl)cc1)C1CCCC1 799174243 KUVMUMKNFFAAPJ-NFBKMPQASA-N 448.954 5.028 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 804560495 CQIXDKGFEQJPML-RBBKRZOGSA-N 446.636 5.042 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 812907336 UWLJTJCPICUCBE-GOSISDBHSA-N 426.259 5.809 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1 915353122 LHIFWDCZDBUOKQ-GMAHTHKFSA-N 436.515 5.895 30 20 IKED CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=S)Nc1ccccc1C#N 915995913 IRPZAVGCLXOOEG-UHFFFAOYSA-N 437.546 5.281 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCCC2)cc1 916213042 XAPVXYVETSADIT-HXUWFJFHSA-N 425.529 5.037 30 20 IKED COc1ccc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)cc1OCC(C)C 916278337 HKOKMFOQIVUGKE-UHFFFAOYSA-N 446.576 5.236 30 20 IKED Cc1ccc(Nc2nc(Cl)c(C=Nn3c(S)nnc3-c3ccccc3)s2)cc1 916307408 FEAVZRYIZTYENY-UHFFFAOYSA-N 426.958 5.278 30 20 IKED Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc12 916883113 OCZALFVMIJQCHO-IBGZPJMESA-N 448.935 5.069 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cnn(-c3ccccc3)c2C)cs1 917560517 PKKAUSNWIBHPHC-RAXLEYEMSA-N 446.507 5.357 30 20 IKED COc1ccccc1-c1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c(O)n1 1125441462 RLINOCQFFVOWDJ-UHFFFAOYSA-N 437.455 5.379 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCCCC4(F)F)cc3)CCC2)cc1 1786466111 PTZPHCRFRWBKFM-NRFANRHFSA-N 437.490 5.131 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCc3ccnc(C)c3)cc2)CCC1 1786740824 CZAWNTFFQCOBSI-UHFFFAOYSA-N 433.596 5.449 30 20 IKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)C3CCCCC3)cc2)CCC1 1787625995 BHUVQHGJJFUJHR-BUHFOSPRSA-N 436.577 5.201 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cn(C)c4ncccc34)CCC2)cc1 1789626514 SZYFCEZUGLXBJN-UHFFFAOYSA-N 444.579 5.313 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cccc4c3oc3ccccc34)cc2)CCC1 1791008584 KUQRNSKXPFRHDZ-UHFFFAOYSA-N 436.511 5.747 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)C[C@H](C)Oc3ccccc3)cc2)CCC1)C(F)(F)F 1791147107 QBADJDNXDQFPAP-INIZCTEOSA-N 446.469 5.097 30 20 IKED CC1(C)CCC(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCC#C[Si](C)(C)C)CC1 1798420696 IOTYOJVFKQVXGI-NUNAXRQHSA-N 444.736 5.282 30 20 IKED CCC[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@H](C)C#N)c2)CC1 1803685177 WNDKLSFXUYWARF-YAVBNHEZSA-N 435.612 5.172 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(F)c(F)c3C)CC2)C1 1804868494 COMBHPNHNRKARG-UHFFFAOYSA-N 432.555 5.110 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3ccoc3c2)n[nH]1 1821458308 XHLUPHASVZGABS-TZIWHRDSSA-N 432.524 5.230 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccsc2)CC1 1824139725 PRSHYVYSILTLOI-YSESTWPTSA-N 426.626 5.149 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C\c2c[nH]c3ccccc23)CC1 1825095961 OUBTYDDJWZBJOL-PYPPKYJESA-N 433.596 5.013 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3cccc(Cl)c3)CC2)CC1 1828340075 XSLHKBHNHBQFJI-AUSIDOKSSA-N 443.031 5.204 30 20 IKED C=CCNc1nnc(SCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)s1 11393039 IEVQWCUPERZHOJ-UHFFFAOYSA-N 444.196 5.480 30 20 IKED C=CCNc1nnc(SCC(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)s1 11526701 ZMRDUTZXPDPCEJ-UHFFFAOYSA-N 439.610 5.413 30 20 IKED Cc1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(C)n1CC(F)(F)F 58426898 ZWXMEGBHCOMBQD-UHFFFAOYSA-N 441.453 5.565 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCc2c[nH]c3cc(F)ccc23)cc1 65160998 WRBXPWOMVKXKQF-UHFFFAOYSA-N 429.520 5.443 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(OC)c2OC(F)F)cc1 116552960 CTOFNFTYGQSFQA-UHFFFAOYSA-N 440.402 5.221 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(C(C)(C)C)cc2)cs1)c1ccc(F)cc1F 208895492 UTKPVARHOKHAPR-BENRWUELSA-N 440.515 6.300 30 20 IKED Cc1c(Cl)cccc1NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 255948768 XPXLSJLZESISLM-UHFFFAOYSA-N 435.936 5.503 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(NC(=O)c4cccs4)c3)c2)cc1 303194437 MTGXXPDSCIZMSC-UHFFFAOYSA-N 439.496 5.917 30 20 IKED CC(C)c1c(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cnn1-c1ccc(F)cc1 303662995 HVLQVXDONFNLJM-UHFFFAOYSA-N 437.359 5.092 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)c1 409571276 PUJGOPYRECETHF-ZEQKJWHPSA-N 426.516 5.035 30 20 IKED N#Cc1nc(Sc2nnc(-c3cccs3)n2Cc2ccco2)ccc1C(F)(F)F 409710893 IEQSWENPTXPDKS-UHFFFAOYSA-N 433.440 5.085 30 20 IKED CCCc1c(NC(=O)[C@H](C)c2ccc(C(F)(F)F)cc2)cnn1-c1cccc(C#N)c1 409968623 VVKRPQUQSNDISA-OAHLLOKOSA-N 426.442 5.457 30 20 IKED COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc(C#N)cc2Cl)c1 430349904 BWYJOLKCBXHXDC-UHFFFAOYSA-N 442.906 5.384 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1F 437466952 AZFTUYBWDYIQSB-UHFFFAOYSA-N 425.803 5.232 30 20 IKED Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 438071784 HTMJJIVVELHYTL-IFMALSPDSA-N 437.609 5.645 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)NCCc1cccc(C#N)c1 439375546 XVZJMQZNHYLTGO-UHFFFAOYSA-N 432.911 5.137 30 20 IKED N#CCC[C@H](NC(=O)C(=O)Nc1cccc(CSCc2ccccc2)c1)c1ccccc1 439445003 BQWHVFDUVLKDKC-DEOSSOPVSA-N 443.572 5.220 30 20 IKED C[C@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)Nc1ccc2c(c1)OCCCO2 439651877 RSVAVQYISIQSHC-INIZCTEOSA-N 447.466 5.090 30 20 IKED CCCc1c(NC(=O)C2(c3ccccc3Cl)CCOCC2)cnn1-c1cccc(C#N)c1 440077267 VOGNXRYAMRZYKQ-UHFFFAOYSA-N 448.954 5.037 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 440488655 RHNIFMWGCAUCCL-MRXNPFEDSA-N 449.557 6.250 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccc(Cl)c(C(N)=O)c1)c1ccc(C(F)(F)F)cc1 441606448 BSHZZCQEUCRBFJ-KRWDZBQOSA-N 425.838 5.287 30 20 IKED CN(C(=O)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)C1CCCCC1 441799087 VMYLGXBZIADAGY-UHFFFAOYSA-N 445.441 5.099 30 20 IKED CCCc1c(C(=O)[C@@H](C#N)c2nc3ccccc3o2)nnn1-c1ccc(C(C)(C)C)cc1 442684045 WNHCVPCBOAFWTJ-GOSISDBHSA-N 427.508 5.149 30 20 IKED Cc1nc(-c2cccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2)cs1 442871527 LXVDUNKOPRQHLU-IBGZPJMESA-N 426.526 5.604 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc(C(F)(F)F)c1F 443527283 IYKSDDQRTFTFSE-OAHLLOKOSA-N 429.398 5.638 30 20 IKED Cc1cc(C[C@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)n(-c2ccccc2)n1 448354356 KBTMUDWAPTYIPO-PKOBYXMFSA-N 433.581 5.328 30 20 IKED C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 460810113 BVBONJXUQRSSDA-UXHICEINSA-N 435.597 5.101 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1cncc2ccccc12 462491295 DJHXDCATCZPOBS-UHFFFAOYSA-N 429.467 5.831 30 20 IKED C[C@@H]1CCCN(c2cc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)ccn2)C1 463460338 GOIOEHUKVKVKTP-HXUWFJFHSA-N 440.547 5.215 30 20 IKED COc1ccc(-c2cc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)c3ccccc3n2)cc1 464432025 XOFOGRVFMBTVBY-HXUWFJFHSA-N 447.416 5.814 30 20 IKED Cc1csc(N(CC(F)(F)F)C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)n1 465455091 YDIVGXJHNOJLFW-UHFFFAOYSA-N 431.439 5.633 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(COc4ccccc4F)on3)cc2)c1 466422729 NXQKEMMJVWQFDL-UHFFFAOYSA-N 443.434 5.096 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3c[nH]c4ncc(Br)cc34)c2)c1 471747659 WIIUTMZFTGBASE-UHFFFAOYSA-N 447.292 5.028 30 20 IKED C[C@H](C#N)CSc1ccccc1NCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 476363000 GIKSALCUIAVHFL-QRWLVFNGSA-N 448.419 6.021 30 20 IKED C=CCn1c(SCc2nc([C@@H](C)OCC(C)C)no2)nnc1-c1cccc(Cl)c1 481348142 PZWUAHIJMNJKLD-CQSZACIVSA-N 433.965 5.193 30 20 IKED N#CCCN(CC(F)(F)F)C(=O)c1oc2ccccc2c1CSCc1ccccc1 482643643 AJTOGNCFSKLXNE-UHFFFAOYSA-N 432.467 5.784 30 20 IKED N#C[C@@H](C(=O)c1cc(Br)sc1Br)c1nccc2ccccc12 483240299 TUQIBPUOGRWSRH-GFCCVEGCSA-N 436.128 5.311 30 20 IKED C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc2ncsc2c1 486535701 RIRMFLROWFHJMT-QGZVFWFLSA-N 442.544 5.824 30 20 IKED C[C@H](c1cccc(Br)c1)S(=O)(=O)Cc1ccc(-c2ccccc2C#N)cc1 486757442 WXTYJTPKBDFRAS-MRXNPFEDSA-N 440.362 5.664 30 20 IKED Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 487072095 WFVLBTYBLNKHMB-UHFFFAOYSA-N 428.879 5.955 30 20 IKED CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)N[C@H](CCCC#N)c2ccccc2)c1 487512221 HBKMTPPBAOSTGU-OAQYLSRUSA-N 425.960 5.167 30 20 IKED CCNC(=O)Nc1ccc(C)c(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 488661614 SDVZOHLUYDCOLA-UHFFFAOYSA-N 430.533 5.412 30 20 IKED Cc1cccc(CN(C)C(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)n1 489509471 LHTRWYNBYCYTRV-UHFFFAOYSA-N 434.565 5.001 30 20 IKED C=CCC[C@@H](NC(=O)N(C)[C@H](CO)c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 491020551 NNHARBWMYMSJFJ-NHCUHLMSSA-N 436.474 5.096 30 20 IKED N#Cc1cc(NC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)ccc1Oc1ccccc1 494057939 DQPRMOLWAYRJAN-UHFFFAOYSA-N 444.878 5.625 30 20 IKED O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1ccnc(SCC(F)(F)F)c1 494093241 YLIJDGCPSXJSRN-UHFFFAOYSA-N 428.329 5.069 30 20 IKED C[C@@H](C1CC1)N(C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)C1CC1 496307315 JKDYFXYBQVEDGO-LBPRGKRZSA-N 434.487 5.419 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)cc1 498882624 ZPPWEIZBOVHFJM-SANMLTNESA-N 437.474 5.191 30 20 IKED Cc1cc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)nn1-c1cccc(C#N)c1 504093211 ZPVWGOWGWJBTAN-UHFFFAOYSA-N 435.512 5.003 30 20 IKED C[C@@H](SCC(=O)NCc1cccc(C#N)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 506246744 DPDBMVAOOATDBQ-GFCCVEGCSA-N 446.416 5.706 30 20 IKED C[C@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(C(F)(F)F)cc1 507789732 AVNWJAWOCQHLOQ-KRWDZBQOSA-N 438.449 6.093 30 20 IKED C=CCn1c(SC[C@@H](O)COc2cccc3ccccc23)nnc1-c1cccc(C)c1 508401950 MCSNRNUVJIIWCG-NRFANRHFSA-N 431.561 5.125 30 20 IKED C=CCn1c(-c2ccc(COc3ccc(Cl)cc3)cc2)nnc1N1CCC(C#N)CC1 508462069 SASBPSVFQDNPKE-UHFFFAOYSA-N 433.943 5.103 30 20 IKED O=[N+]([O-])c1cc(F)c(CN[C@@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)c(F)c1 509006822 MWSBSUCTJUOAHD-AWEZNQCLSA-N 430.251 5.165 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCCc3nc(O)ccc32)cc1Cl 510022341 CJLZDKXAIYULRF-UGKGYDQZSA-N 432.911 5.295 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@H]1CCCN(C2CCC2)C1 511302955 BMBFTBFFGUZXFD-KNQAVFIVSA-N 433.621 5.233 30 20 IKED N#Cc1ccc(Oc2ccc(-c3nc([C@@H](F)c4ccc(C(F)(F)F)cc4)no3)cc2)nc1 512033285 VZXYXTNBROJYOX-IBGZPJMESA-N 440.356 5.873 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(NC3CCOCC3)cc2)cc1 513063585 YVOMNRNSBQUVTE-UHFFFAOYSA-N 443.572 5.694 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCCCOc2ccc(F)cc2)cc1 514043977 CFCQPKSVXLWXRY-UHFFFAOYSA-N 449.501 5.407 30 20 IKED Cc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(C)c1 517526910 FUVYACJMLOPQCP-IBGZPJMESA-N 427.504 5.126 30 20 IKED C[C@@H](NC1(CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CCCC1)c1ccccc1 517716232 IJIMVMTUBKKEBE-HXUWFJFHSA-N 440.547 5.139 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCCOc1ccccc1-c1ccccc1 518166806 XYEFMEDSTNKDNA-IBGZPJMESA-N 431.561 5.806 30 20 IKED CCCC(=O)Nc1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 518230158 WNCZIVBVARNDMD-UHFFFAOYSA-N 443.572 5.519 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc(NC(=O)c4ccoc4)c3)cc2)cc1 518908961 DUBJOQRRYLIJBX-UHFFFAOYSA-N 437.455 5.643 30 20 IKED C[C@H](SCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1Br 519416061 BPNFECIMBGMWOS-CABCVRRESA-N 449.439 6.134 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2nc3ccccc3s2)CC1 520195508 ASIYZCMZARTPAI-INIZCTEOSA-N 436.606 6.102 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(F)cc2C(F)(F)F)cc1 520574762 NDXKHFZPTBCMLD-UHFFFAOYSA-N 445.391 6.090 30 20 IKED Cc1ccc([C@H](C)CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 523479478 KCNRMGQOCIIXAN-WZONZLPQSA-N 445.950 5.162 30 20 IKED Cn1cnnc1Sc1ccccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 524768201 YIRKHINRUSCLJD-UHFFFAOYSA-N 441.516 5.077 30 20 IKED Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)c1ccc(C#N)c(C)n1 525106316 LLWZBIYJZFGKGX-UHFFFAOYSA-N 427.483 5.559 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ncsc3C(F)(F)F)cc2Cl)c1 527158176 DQECUWJLUYVWJI-UHFFFAOYSA-N 437.830 5.518 30 20 IKED C=C[C@@H](CC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1)c1ccccc1 536296104 VBKYHEVUQBJWDX-GJZGRUSLSA-N 426.314 5.036 30 20 IKED CC(=O)c1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c(F)c1 537432837 AWMOZPALHGJHNL-UHFFFAOYSA-N 447.413 5.218 30 20 IKED COC(=O)c1cccc(CN[C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)c1C#N 542591083 ROFYYMAHXWSCPJ-ZDUSSCGKSA-N 425.941 5.281 30 20 IKED C=CCC[C@@H](NC(=O)N1[C@H]2C=C(c3ccnn3C)C[C@H]1CC2)c1ccc(C(F)(F)F)cc1 549169582 WQKJCEGKWHMQNO-NJDAHSKKSA-N 444.501 5.476 30 20 IKED C=CCN(C(=O)[C@H]1C[C@H]1c1ccccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 551844761 ZOHQYLYEYMDREQ-ROUUACIJSA-N 439.924 5.694 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1 553079588 WZGSKMVKZPZLEK-HSZRJFAPSA-N 443.515 5.488 30 20 IKED Cc1cc(Cl)c2ncc(C#N)c(N3CCC[C@@H](c4nc(C(F)(F)F)cn4C)C3)c2c1 553343338 MIAVUIBNQQJJHD-CYBMUJFWSA-N 433.865 5.205 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cc1 554437944 UJDVTWYUOXOLGJ-SDHSZQHLSA-N 429.564 5.301 30 20 IKED N#Cc1cc(Oc2ccc(NCC(=O)Nc3ccccc3Oc3ccccc3)cc2)ccn1 555128468 LAIVWXIYOPGHIX-UHFFFAOYSA-N 436.471 5.588 30 20 IKED COc1ccc2ccccc2c1-c1cc(CN(C)CCOCc2ccc(C#N)cc2)on1 558173476 AGDLEBGTYGVBJP-UHFFFAOYSA-N 427.504 5.024 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1 560000451 SJGBIHGASCUVOM-HNNXBMFYSA-N 439.437 5.481 30 20 IKED Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 560602966 MGENRNNPFAIPDA-MRXNPFEDSA-N 428.577 5.022 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 561671601 CJYCVEBDEKDNRB-UHFFFAOYSA-N 446.938 5.906 30 20 IKED COc1cccc(C2(CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)c1 564618681 IGJFEBYYMWYQBD-UHFFFAOYSA-N 428.557 5.321 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@@](F)(c4ccccc4)C3)c2)cc1 579735950 BXQPMUDMSCEMCK-SANMLTNESA-N 429.495 5.434 30 20 IKED C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 588956435 CYRBYYPULQYAMU-GOEBONIOSA-N 427.898 5.008 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1sc2c(c1C#N)CCCCC2 589622843 QGWIGPYJTMRJCB-UHFFFAOYSA-N 425.535 5.356 30 20 IKED Cc1nc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)nn1-c1c(Cl)cccc1Cl 592974764 ZAIRURYRQKIGTC-NSHDSACASA-N 446.294 5.121 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 599517307 AXXDSYSYDFRMLW-DLBZAZTESA-N 449.366 5.865 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cc(C3CC3)nc21 603623350 ICVGHUQJWYOJDR-UHFFFAOYSA-N 438.491 5.201 30 20 IKED CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603690009 IEQSOUJEQWLWOW-UHFFFAOYSA-N 426.398 5.428 30 20 IKED C[C@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 604082614 GJZOJKBWPMMQAH-AWEZNQCLSA-N 436.874 5.486 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(c4cccc(O)c4)CC3)cc2Cl)cc1 604088101 BPFRTHYEEUTUHJ-UHFFFAOYSA-N 448.910 5.064 30 20 IKED C=CCCCCCN(C)C(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F 606816441 XWYXDXYGPILKJM-UHFFFAOYSA-N 435.277 5.411 30 20 IKED Cc1nc(-c2ccccc2)sc1CNC(=O)c1ccccc1Sc1ccccc1C#N 608954403 MOSHWLFCDNYOKW-UHFFFAOYSA-N 441.581 6.071 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCO[C@H](c3ccccc3F)C2)cc1 608995571 CIOQZAKQAMHIJM-DEOSSOPVSA-N 447.466 5.104 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2)c1 609063949 FZMPTJLTQLKGSN-UHFFFAOYSA-N 441.712 5.805 30 20 IKED COc1ccc(SCCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 609104442 XPLMIYUEEYWSCU-UHFFFAOYSA-N 436.508 5.406 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)CSCc1ccc(C#N)cc1 609186198 DDWGRDDRILVILT-AWEZNQCLSA-N 425.554 5.240 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1ncc(C(F)(F)F)cc1Cl 609369936 SXZIHKGIJHCFLI-NSHDSACASA-N 445.919 5.736 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 609377443 VFWXYEYZDCEEDO-WMZHIEFXSA-N 443.572 5.438 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 609427594 NKPVCGMMUBLNBA-SJORKVTESA-N 436.606 5.546 30 20 IKED N#Cc1ccccc1COc1cccc(CNCc2cc(F)ccc2Br)c1 609433267 QAIZNOXDAYANPP-UHFFFAOYSA-N 425.301 5.329 30 20 IKED Cc1cc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c2ncccc2c1 609542139 PMRBIHWSBBBCQL-UHFFFAOYSA-N 445.519 5.258 30 20 IKED COc1ccc2[nH]cc(CCNC(=O)c3ccccc3SCc3ccc(C#N)cc3)c2c1 609584051 UQWQUAVUUNGPFM-UHFFFAOYSA-N 441.556 5.313 30 20 IKED CCN(CC)CC1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 609730802 YAPSXUDGMHXFEZ-UHFFFAOYSA-N 425.960 5.198 30 20 IKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 610490026 BLGLJQLPVSPZMO-BVAGGSTKSA-N 442.584 5.949 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2Cc3ccccc3C(F)(F)C2)cc1 610922425 XZNCKEUVZZQXTK-UHFFFAOYSA-N 433.458 5.471 30 20 IKED CCN(Cc1sc(N2CCOCC2)nc1-c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 611256426 MBSHOLXYVIMZJJ-IBGZPJMESA-N 432.593 5.101 30 20 IKED N#Cc1ccccc1/C=C/c1nc(Cc2nc(O)c3c(-c4ccccc4)csc3n2)no1 612867115 RGFRWBBFNGFFPG-ZHACJKMWSA-N 437.484 5.080 30 20 IKED N#C[C@@H](C(=O)c1cccc(NC(=O)C2CC2)c1)c1nc2cc(C(F)(F)F)ccc2s1 613404506 OGKOQYKTEHNZNK-HNNXBMFYSA-N 429.423 5.154 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc(Br)c(F)cc3F)cn2)cc1 617448149 UVSXRWOAMIXBFY-UHFFFAOYSA-N 430.208 5.039 30 20 IKED O=C(NCCc1ccccc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618918386 KBXTXFBXYJBXLI-RYUDHWBXSA-N 436.318 5.020 30 20 IKED O=C(Nc1cc(F)ccc1SCC(F)F)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674568575 LVQQUXBKVCDTKQ-DTORHVGOSA-N 440.331 5.387 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)[nH]c2C)[n+]2ccc3c(c2)CCCC3)c1 726573033 WOSRPQPZGYSCKZ-UHFFFAOYSA-O 428.581 5.102 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1csc(-c2ccccc2Cl)n1 727626850 HMKDTIXYSRUREW-GFCCVEGCSA-N 434.279 5.217 30 20 IKED C[C@H](C#N)Oc1ccc(/C=C(\Cl)c2nc(O)c3c(-c4cccs4)csc3n2)cc1 727744161 LDUXEKPMRNTQFQ-DZZSIBQASA-N 439.949 6.153 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)Nc1ccc(F)cc1Cl 728299013 MUJKOUOPERTQKC-CQSZACIVSA-N 441.865 5.508 30 20 IKED C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C 729231866 AWZAGMKXAQGFIC-MRXNPFEDSA-N 425.504 5.303 30 20 IKED COc1ccc(N2CCCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)cc1 729571836 NBRFVRGNDRAKLB-UHFFFAOYSA-N 442.519 5.103 30 20 IKED CCN(C)c1ccccc1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 730137619 XWPPAVJPSNUHMH-UHFFFAOYSA-N 430.527 5.065 30 20 IKED N#C[C@@H](C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1nc2cc(F)ccc2s1 730416978 JMDZMZGQJNJJHJ-VQTJNVASSA-N 443.503 5.173 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)ccc1F 730456061 OQJJREUTRQQHPD-UHFFFAOYSA-N 431.467 5.220 30 20 IKED CC(C)(C)c1ccc(Oc2ccc(C=NNc3cnnc(O)c3Cl)cc2[N+](=O)[O-])cc1 730568201 PRYMFNWTVVQRBD-UHFFFAOYSA-N 441.875 5.280 30 20 IKED C=CCc1cc(CNC(=O)Nc2ccc(Oc3ccc(C)cn3)cc2)cc(OC)c1OC 733634544 VVALZRLRCVEPLX-UHFFFAOYSA-N 433.508 5.250 30 20 IKED CCC(CSc1ccc(Cl)cc1)=NNc1nc2ccccc2c(=O)n1CCCOC 734296743 NXFALRQEKCOWEK-UHFFFAOYSA-N 444.988 5.057 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCc4cccc(Br)c4C3)c2)cc1 735746057 NZCHLZOTHXYKHN-UHFFFAOYSA-N 448.320 5.703 30 20 IKED N#CCN(Cn1nc(Cc2cccs2)n(CCc2ccccc2)c1=S)C1CCCC1 738256618 OFMMIXJEMKGMRD-UHFFFAOYSA-N 437.638 5.035 30 20 IKED Cn1cc(-c2cccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)c2)cn1 741555981 VRERPNARCXSKSL-UHFFFAOYSA-N 442.906 5.443 30 20 IKED CC(=NNc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)c1c(Cl)nc2sccn12 741837609 MWJDBPNWMDHYEP-UHFFFAOYSA-N 444.969 5.027 30 20 IKED Cc1ncsc1/C=C1/CN(Cc2ccc(Cl)cc2)C/C(=C/c2scnc2C)C1=O 742433291 VNZBZNBOZIFNSW-MZAUSLISSA-N 442.009 5.422 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](c2ccccc2)C2CCOCC2)cc1F 743237648 DWKMORZBCUMEBM-VWLOTQADSA-N 445.494 5.779 30 20 IKED N#C[C@H](C(=O)[C@@H]1C[C@]12CCc1ccccc12)c1nc(-c2ccc(Cl)cc2Cl)cs1 744036360 ZLPDZPIPZNHXLM-QSAZIKIQSA-N 439.367 6.197 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1cccc(-c2cscn2)c1 744354054 PCPFCVACZWEXHV-UHFFFAOYSA-N 429.295 5.062 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)/C=C/c3ccc(-c4ccccc4Cl)s3)o2)c1 744545571 BNLGVZLRPHRTOO-PKNBQFBNSA-N 447.903 5.747 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)Nc1ccc2c(c1)OCCO2 745723992 IPPSBJLCVLUOIO-UHFFFAOYSA-N 433.508 5.181 30 20 IKED C=CC[C@H](NC(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1ccncc1 745828982 XCBJPZAPQJYQQW-IBGZPJMESA-N 442.441 5.404 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1nc2ccccc2o1 747111741 PDAOARQHNUJCHV-AWEZNQCLSA-N 428.300 5.677 30 20 IKED Cc1ccc([C@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)N2CCCC2)cc1 747295544 UNCOMNCLNRDDJA-SVBPBHIXSA-N 438.575 5.609 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)[C@]2(Cc3ccccc3)C[C@H]3CC[C@H]2C3)ccc1OC 747879365 SGEJAUXDASPYMS-DDMPBLKVSA-N 432.564 5.041 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C2CC2)[C@H](C)c2ccc3ccccc3c2)c1 754919833 KRGYDUXZVXMKKQ-CLOONOSVSA-N 427.548 5.956 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1cc(Cl)sc1Cl)c1nc(-c2ccncc2)cs1 756243393 KAQKYWJLINYWCI-LBPRGKRZSA-N 436.345 5.413 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1 758780711 SWZWBECZHBTWHX-GHTZIAJQSA-N 448.567 5.067 30 20 IKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc(F)c(C(F)(F)F)c(F)c1 759430363 FERSRQIWTAUMGA-LLVKDONJSA-N 437.151 5.252 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 760796028 NHDZIYYCCFXJFB-UHFFFAOYSA-N 449.532 5.882 30 20 IKED N#Cc1cccc([C@H]2CN(Cn3c(=S)sc4ccc(C(F)(F)F)cc43)CCO2)c1 761298138 GGQLXZIMOMIGJW-QGZVFWFLSA-N 435.496 5.354 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)c1cc(Br)ncc1F 762422850 AWPPFEMINDRFRY-BQYQJAHWSA-N 448.723 5.394 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c1cccs1 764754580 GKVIHCIYJKJQLY-UHFFFAOYSA-N 442.221 5.347 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@H]2c2ccc(Cl)cc2)c1=S 764879927 UASNEZAAYXQCKA-FQEVSTJZSA-N 425.989 5.500 30 20 IKED CC(C)(C)OC(=O)N1CCC(CC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)CC1 765915997 NMMWGQIINLZGHC-OAHLLOKOSA-N 433.961 5.163 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)cc1 768867087 AEZWCKUSPWXECT-FGZHOGPDSA-N 441.428 6.296 30 20 IKED CC(=NNc1nc(O)c2cnn(C(C)(C)C)c2n1)c1ccc(OCc2ccccc2C)cc1 769806805 CLCATRKSZWBJIG-UHFFFAOYSA-N 444.539 5.010 30 20 IKED Cc1ccc([C@@H]2NC(=O)N(c3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2=O)cc1C 771819615 QNATXWVVFQWABM-GGAORHGYSA-N 429.907 5.410 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCCOc3c2ccc(Cl)c3Cl)ccc1OC 772983956 BAAQWOKNZXMFRZ-MAUKXSAKSA-N 435.351 5.686 30 20 IKED COc1cc(C=NOC2CCCC2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 774597277 TVFRZAZUIREJPX-UHFFFAOYSA-N 436.430 5.025 30 20 IKED CCN(C(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1)[C@H](C)c1ccc(C#N)cc1 780905978 AHMUQKHIUBJIHP-IBVKSMDESA-N 428.532 5.170 30 20 IKED O=C(/C=C\c1ccc(SC(F)F)cc1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 781550176 NNRVDZFMDVELGO-KMKOMSMNSA-N 436.423 5.233 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3cc(Br)cc(C)c3o2)cc1 783075723 FEAKTRJJCBLARR-KRWDZBQOSA-N 425.282 5.027 30 20 IKED Cc1cc(OC(C)C)ccc1NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 783466855 KJYQAUOTSWOKET-HSZRJFAPSA-N 427.504 5.015 30 20 IKED N#CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 784118799 PVUKQEUDGJFTCJ-JOCHJYFZSA-N 442.544 5.104 30 20 IKED C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cc(Br)cc(Br)c1O 787028786 WJWQXSRYVBBFPZ-BMLIUANNSA-N 436.147 5.127 30 20 IKED N#C[C@H](C(=O)CSCc1ccc(Br)cc1F)c1nccc2ccccc12 792094257 NOALNGNGHKLZGZ-QGZVFWFLSA-N 429.314 5.246 30 20 IKED N#Cc1ccc(NC(=S)Nc2cc(C(F)(F)F)ccc2Br)cc1Cl 795035307 ZYGVRYYPOSEERR-UHFFFAOYSA-N 434.668 5.802 30 20 IKED N#CC[C@H](CC(=O)OCc1csc(COc2ccc(Cl)cc2)n1)c1ccccc1 795982300 GTLLULCEWKPCHP-QGZVFWFLSA-N 426.925 5.506 30 20 IKED Cc1sc2ncnc(SCCC(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)c2c1C 797568567 UCYGQROKKPVNGP-ZDUSSCGKSA-N 430.624 5.421 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(CSc2nc(C)cs2)cc1 804558231 AELRBHPRGPUDBR-UHFFFAOYSA-N 440.638 5.740 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc(Br)ncc3Cl)cc2)cc1 806628609 CTYXIWRKBNFPKB-UHFFFAOYSA-N 428.673 5.414 30 20 IKED C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1cccc(Br)c1 813059977 MVRPXQHPZHGMGQ-MGPLVRAMSA-N 440.124 5.207 30 20 IKED N#C[C@@H](C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1cc(C(F)(F)F)ccn1 813215339 WZQNPHPUWXUFEG-OAHLLOKOSA-N 434.805 5.003 30 20 IKED Cc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@@H](C)c2cc(C)sc2C)c1 914690843 HBGLSZPIAKRWEJ-YWZLYKJASA-N 441.622 5.035 30 20 IKED Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915087043 ZRDWOLGBENZKLL-XMMPIXPASA-N 437.499 5.778 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC2(c3ccccc3)CCOCC2)cc1 915349964 CXFWWJNWEQNTOE-RUZDIDTESA-N 425.532 5.212 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=NNc1ccc(C(F)(F)F)cn1 915919178 YXNFPDLRHPSHNE-UHFFFAOYSA-N 428.245 5.406 30 20 IKED O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C=Nn2c(S)nnc2-c2ccco2)cc1 916314217 POKCFWMKHLHFRT-UHFFFAOYSA-N 441.856 5.063 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 916898499 BZGFNCDFIQBVJW-GOSISDBHSA-N 449.938 5.368 30 20 IKED N#C[C@H](C(=O)Cc1ccc(-n2cccc2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 917043519 KXILEEYLDBSDJX-QGZVFWFLSA-N 425.435 5.525 30 20 IKED O=C1/C(=C\c2ccccc2F)CC2(C/C1=C/c1ccccc1F)C(=O)Nc1ccccc12 917517519 GUFNKVSTVQGFGT-AXPXABNXSA-N 427.450 5.685 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)Cc1csc(-c2ccc(Cl)cc2)n1 920101814 JWJGSTSYRSNNGG-GOSISDBHSA-N 433.920 5.388 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(N2CCCC2=O)cc1 920975194 GVCVTNIUFCQCLA-UQBPGWFLSA-N 438.531 5.352 30 20 IKED COc1ccc2ccccc2c1CN(C(=O)c1cc(C#N)c(SC)nc1O)C1CCCC1 1435029845 SVXPNIIFAVEZFW-UHFFFAOYSA-N 447.560 5.128 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3c(OC)cccc3OC)cc2)CCC1 1790236878 DWFBTGAKRPQFFN-NRFANRHFSA-N 448.563 5.220 30 20 IKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)CCC1 1790248871 OHWXXEUIZXRAES-INIZCTEOSA-N 446.469 5.044 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cccc5c4oc4ccccc45)cc3)CCC2)CC1 1791008083 OXEWCFOLAOUGNE-UHFFFAOYSA-N 449.510 5.637 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4cc(Cl)ccc34)CCC2)cc1 1791728831 ARAJVZQFPBKZMC-UHFFFAOYSA-N 448.954 5.158 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c2cccc(Cl)c12 1798241721 PMJSYMIJALQALL-BJWYYQGGSA-N 427.976 5.066 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c3ccccc3n3ccsc13)C2 1798334437 XLPLWFHLAHVBSZ-IYWMVGAKSA-N 447.604 5.174 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCCCC(C)(C)C)C3)c1 1803684026 KZQNMZCYAJLRRD-OUJCMCIWSA-N 437.628 5.562 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)Cc3ccc(Cl)s3)CC2)C1 1804859788 MVEJKJTXUUTCAP-UHFFFAOYSA-N 437.049 5.168 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)[C@H](c3ccccc3)C(C)C)C2)CC1 1805624368 HLHXLDRSLQDLFJ-RPBOFIJWSA-N 436.640 5.426 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3ccccc3o2)[C@H]1c1cccnc1 1809249290 YDAAKKRTGJATSJ-XUZZJYLKSA-N 445.563 5.140 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cc3ccccc3o2)n[nH]1 1818813108 HIACFZZGMSPVOR-BPRXJUMUSA-N 432.524 5.074 30 20 IKED Cc1cscc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823213145 UONCJWAOJYJVAP-YCRPNKLZSA-N 447.564 5.026 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccccc3n2C)CC1 1827991812 FERYIPVAPIMDBH-DEOSSOPVSA-N 449.639 5.404 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2Cl)CC1 1828827177 JDGLTYKUXSYKPM-REWPJTCUSA-N 429.004 5.342 30 20 IKED N#Cc1c(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)sc2c1CCCCC2 10592529 DRQRZKYMTIYSLK-UHFFFAOYSA-N 444.563 5.137 30 20 IKED OC(=N\c1cccc(Cl)c1Cl)/C(=C/c1cccs1)n1nnnc1-c1ccccc1 15010878 DQQHQQWFWHOOLK-ATVHPVEESA-N 442.331 5.995 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccco1 29548247 VUQLVBSWVSPRJC-KRWDZBQOSA-N 430.533 5.510 30 20 IKED C=CCOc1ccc(C(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)cc1 32461652 IDDBAXJELBEMOT-UHFFFAOYSA-N 432.545 5.072 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)o1 59368192 CMFIQGKNSLTFEG-IBGZPJMESA-N 429.501 5.317 30 20 IKED COc1cc(OC)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 71907184 REYJMAXXYJJBDF-IBGZPJMESA-N 436.895 5.274 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 107807400 HGDPTWUPLXUPBU-UHFFFAOYSA-N 444.491 5.653 30 20 IKED CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 108268364 HVJOYSIUSMLFPL-MRXNPFEDSA-N 446.532 5.132 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)n1 138147300 QZPDBIDAOPGXGN-VIFPVBQESA-N 434.270 5.707 30 20 IKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(N2CCCCC2)s1 254384876 NCJCHGATSSCWBK-UHFFFAOYSA-N 433.606 5.245 30 20 IKED C[C@@]1(c2ccc(F)cc2)CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 431988813 WJWVCBHABFIPFM-HHHXNRCGSA-N 443.522 5.666 30 20 IKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cc(C#N)oc1C 436140175 HTOYGWPGZVHHHX-UHFFFAOYSA-N 427.382 5.292 30 20 IKED CCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@H](C)c1cccc(O)c1 437737812 QACGFCVDPGNMCK-HXOBKFHXSA-N 433.939 6.316 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 437846902 RTHLXUAEFVLGGI-NSYGIPOTSA-N 429.495 6.413 30 20 IKED CC[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 437963432 MDNVINPVUYVAEW-XMMPIXPASA-N 427.548 5.931 30 20 IKED CCc1ccc([C@@H](COC)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)o1 438189153 SLRFTUXXNCSGDI-HXUWFJFHSA-N 435.480 5.024 30 20 IKED COc1ccccc1C[C@@H](C)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438671404 NEPVCYNFPIFMQW-QGZVFWFLSA-N 433.483 5.593 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]([C@@H]4CCOC4)C3)cc2Cl)cc1 439307413 PTFVSELCDNPAAV-ZWKOTPCHSA-N 425.916 5.284 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3ccc(Cl)cc3Cl)c2)cc1 439394209 RXVKNAGYUVFOAC-UHFFFAOYSA-N 426.259 5.235 30 20 IKED CSc1cccc([C@H](NC(=O)NCC2CCC(C#N)CC2)c2ccc(F)c(F)c2)c1 440983875 CAVUFWAEHPUYIH-LGHDPPOTSA-N 429.536 5.405 30 20 IKED C=CC[C@@H]1N(C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)CCCC1(C)C 444901871 VPPSADDOEHRNMF-QFIPXVFZSA-N 442.581 5.481 30 20 IKED C[C@@H](NC(=O)Cc1noc(-c2ccc(C3(C#N)CC3)cc2)n1)c1ccc(Cl)cc1Cl 445739104 JIWROPUBOYQEJT-CYBMUJFWSA-N 441.318 5.018 30 20 IKED CCC1CCC(N(C)C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)CC1 446835153 MUELLXGUZFBZJR-UHFFFAOYSA-N 441.519 5.077 30 20 IKED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@H]1c1ccc(Br)c(F)c1 460587991 WPYZNHZJOIGOTF-ZOCIIQOWSA-N 449.368 5.195 30 20 IKED CC(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 460594948 GTLSVNDGWOJUFD-GOTSBHOMSA-N 433.600 5.018 30 20 IKED CC(=O)c1cc(F)c(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c(F)c1F 461100364 QFHUXWQFJYLWFY-UHFFFAOYSA-N 426.419 5.582 30 20 IKED Fc1cc(NCc2nccn2CC(F)(F)F)ccc1Oc1ccc(C(F)(F)F)cn1 462235294 SYBDDZPQBBNQFI-UHFFFAOYSA-N 434.315 5.403 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2ccccc2CCC(F)(F)F)cc1 465155070 HYJQJUOOEHENHT-UHFFFAOYSA-N 431.458 5.640 30 20 IKED C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470536343 BRGDYYTXRYRJNW-IBGZPJMESA-N 430.552 5.102 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1 470593055 SJDHMLZGKHNOJK-QMHKHESXSA-N 449.532 5.415 30 20 IKED COc1cc(C2(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)CCCC2)ccc1C 470781659 YVOODMAIRNPUSW-UHFFFAOYSA-N 445.563 5.037 30 20 IKED N#Cc1cccc(-c2nnc(CNc3ccc(Oc4ccc(Br)cc4)cc3)o2)c1 471619506 NBYFBLFQMWJCJS-UHFFFAOYSA-N 447.292 5.775 30 20 IKED COC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 474504515 WIZLOLXETFFNSI-JOCHJYFZSA-N 429.520 5.380 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC(c3nc4ccccc4s3)C2)c1 477702953 ODKYPPGMSMBFHK-UHFFFAOYSA-N 445.931 5.853 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(-c4cncnc4)cc3F)cc2F)c1 478129120 SGMAPRPOESPMDD-UHFFFAOYSA-N 442.425 5.125 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)NCCOc2ccc(C#N)cc2)nc1-c1ccccc1 481691983 GYLIYYGFVFCEFH-JOCHJYFZSA-N 444.535 5.262 30 20 IKED C[C@@H](NC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1cn[nH]c1 482341603 FDLLFYMIRNUOFS-JMCQJSRRSA-N 448.289 5.111 30 20 IKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nccc4ccccc34)cc(-c3cccs3)nc21 483196140 KXMDRHFBBLDDQN-IBGZPJMESA-N 437.528 5.779 30 20 IKED Cc1nc2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)ccc2o1 483484718 KUYKVSMPDPEYEO-AWEZNQCLSA-N 428.300 6.057 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1nc(C)c(Cc2cccc(C)c2)s1 484594619 WYULRIUQFQOAPD-UHFFFAOYSA-N 425.554 5.046 30 20 IKED N#CCCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C12CC3CC(CC(C3)C1)C2 486581922 CNPDTTCWLDBUJD-UHFFFAOYSA-N 426.520 5.070 30 20 IKED C[C@@H](Nc1ccc(C(=O)N[C@H](CCCC#N)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 487537999 OMEBCJCSZKHPEN-XMSQKQJNSA-N 443.507 5.328 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(COC4CCOCC4)c3)n2)cc1 487903049 BXGJAYCUHWQDJZ-QFIPXVFZSA-N 448.544 5.004 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(CSc2nc[nH]n2)cc1 490059981 LLFHAMNMQJAMSJ-UHFFFAOYSA-N 441.516 5.322 30 20 IKED N#Cc1ccc(Br)c(CNc2ccc(CC(=O)Nc3ccccc3F)cc2)c1 492510759 IDHBJCLKWUESRL-UHFFFAOYSA-N 438.300 5.253 30 20 IKED CC(C)Nc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cn1 495065796 KOXNGXCGWXKBED-UHFFFAOYSA-N 445.470 5.092 30 20 IKED N#Cc1cn(CC(=O)Nc2ccccc2Sc2ccccc2)c2ccc(Cl)cc2c1=O 502836685 YWZGZALARWQYGL-UHFFFAOYSA-N 445.931 5.316 30 20 IKED Cc1c(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)sc2nc(C(F)(F)F)ccc12 504748953 DWNLNYAMCWCFQP-UHFFFAOYSA-N 445.466 5.179 30 20 IKED Cc1nnc(SCc2c(C(=O)N[C@@H](C#N)C3CCCCC3)oc3ccccc23)s1 506541695 XTBVCEODPKMRHX-KRWDZBQOSA-N 426.567 5.087 30 20 IKED C=CCn1c(Cc2cccc3ccccc23)nnc1N(C)Cc1nc([C@H](C)SCC)no1 508863589 KPMXPQBDWQFTEE-KRWDZBQOSA-N 448.596 5.042 30 20 IKED CO[C@H](CSCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1 509132169 OGDBMWKLBPRQJA-DNVCBOLYSA-N 435.014 5.794 30 20 IKED CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccccc1SC[C@H](C)C#N 509477278 QURGGCDLHMFEDB-FZKQIMNGSA-N 436.002 5.046 30 20 IKED C[C@H](NC(=O)CC1CCCCC1)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 509480062 PHBPXCAXOBKSGX-AWEZNQCLSA-N 441.519 5.125 30 20 IKED CCOc1ccc(C2=CCN(C(=O)c3occc3COc3cccc(C#N)c3)CC2)cc1 509667284 QLSSLVBAPXLLIM-UHFFFAOYSA-N 428.488 5.058 30 20 IKED CN(Cc1ccc(F)cc1F)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510022517 DMDAIGDLZFUOKR-FQEVSTJZSA-N 425.866 5.938 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)c2)c1 511474801 JSURZADTXIQFJY-VQIMIIECSA-N 430.430 5.053 30 20 IKED CCOc1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)ccc1OC 512524618 UYUNPXMPWWTABJ-UHFFFAOYSA-N 431.492 5.388 30 20 IKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(COc2ccccc2C#N)c1 513448610 SIBOCGJPNSFEFY-QGZVFWFLSA-N 427.529 5.580 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 515539005 BYJNVQGMYRQWJD-OAHLLOKOSA-N 441.940 5.935 30 20 IKED N#Cc1c(NC(=O)c2ccc(Br)cc2F)sc2c1-c1ccccc1CC2 515626439 HEZGLCHAFHZTIN-UHFFFAOYSA-N 427.298 5.539 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 516786264 ZHPRXDZOUUCZEB-UHFFFAOYSA-N 443.868 5.021 30 20 IKED CCn1c(NC(=O)c2sc3ccccc3c2Br)nc2cc(C#N)ccc21 517062220 NUSUYRUHYSWZJP-UHFFFAOYSA-N 425.311 5.157 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccsc2)cc1Cl 517126749 VABJMTGVACYSGL-IRLDBZIGSA-N 449.963 5.359 30 20 IKED CCc1ccccc1NC(=O)CN(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 517530260 NBIUWKUBJPRJJA-UHFFFAOYSA-N 428.492 5.015 30 20 IKED N#C[C@@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)c1c(Cl)cccc1Cl 518532304 KODVGFASABMEKX-MRXNPFEDSA-N 436.751 5.694 30 20 IKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)Nc3ccccc3SCCC#N)c12 518648387 BZHKJCRZVJBOSL-UHFFFAOYSA-N 432.505 5.864 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](c3ccc(F)cc3)[C@H]3CCCO3)cc2)cc1 520050378 DMFIGXUKFXRBPW-RPWUZVMVSA-N 431.467 5.531 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCCCOc1ccc(Br)cc1 520924091 IHVKRBPNROFKDA-MRXNPFEDSA-N 447.398 6.031 30 20 IKED N#Cc1ccc(Oc2cccc(NCC(=O)Nc3ccc(Br)cc3F)c2)cc1 521527362 QGAJPAHHHPQEAR-UHFFFAOYSA-N 440.272 5.303 30 20 IKED Cc1cccc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C 523770482 WSHBANFTCNQEDU-JPYJTQIMSA-N 445.950 5.428 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)c2cccs2)cc1 523985454 DXVWUFDLLAFXHI-QHCPKHFHSA-N 445.588 5.668 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@@H](c2cccc(F)c2)C1 524304741 KDHGAVJEHPALOQ-XMMPIXPASA-N 431.467 5.404 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccccc3OC[C@@H]3CCCCO3)c2)cc1 524504201 KXGULTUXZCWIEL-DEOSSOPVSA-N 442.515 5.337 30 20 IKED COc1cc(CN(C)[C@@H]2CCCc3nc(C)sc32)ccc1OCc1cccc(C#N)c1 533386162 JLIMOALNQLQOGV-JOCHJYFZSA-N 433.577 5.420 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@@H](Cc2ccccc2)C1 537337958 IXBVJZVLWZKRSV-DEOSSOPVSA-N 427.504 5.134 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)n2)c(F)c1 541103383 FSLXUHZQIXWJGU-QFIPXVFZSA-N 437.478 5.063 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)C(c1ccccc1)c1ccccc1 542559004 KQSDBJZPIFFNBK-LEWJYISDSA-N 443.616 5.687 30 20 IKED C[C@@H](CNC(=O)c1ccccc1)c1noc(-c2ccc(Sc3ccccc3C#N)cc2)n1 546469512 QJHPNZDPGQUDCR-KRWDZBQOSA-N 440.528 5.293 30 20 IKED CCOc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc(Cl)c1O 547289329 LPXBEKHHNPEVPV-UHFFFAOYSA-N 436.895 5.456 30 20 IKED C=CCn1c(S[C@H](C)c2nccn2-c2ccccc2)nnc1[C@H]1COc2ccccc2O1 553365507 MQORDGSAAMRNJZ-DYESRHJHSA-N 445.548 5.016 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 554429977 IISLPLBCHRRERL-RUZDIDTESA-N 446.526 5.009 30 20 IKED Cc1cccc(-c2nc(CC(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)cs2)c1 565356091 SPBATDKSLXPYCT-UHFFFAOYSA-N 426.501 5.359 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3cc4c(s3)-c3ccccc3OC4)CC2)c(F)c1 580106087 BKRZMXCXFWFVDO-UHFFFAOYSA-N 434.492 5.002 30 20 IKED N#Cc1cc(Br)ccc1CNc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 600848279 HQYBMOGREKZMPJ-UHFFFAOYSA-N 438.247 5.300 30 20 IKED FC(F)Oc1cccc(Cl)c1CNC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 602902437 MKIJWWNVBRUEPA-IUCAKERBSA-N 425.747 5.941 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)s2)cc1 603667553 PUDXIBZILVKRKK-UHFFFAOYSA-N 447.438 5.192 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2cccnc2Oc2cccc(Br)c2)cc1 603670369 BWKJTEVUHPXELC-UHFFFAOYSA-N 436.309 5.690 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1Cl 603765882 BKCNQYOVVFZQGS-WOJBJXKFSA-N 433.870 5.199 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)COc2ccc(Cl)cc2Cl)cc1 604003988 UJWKDIOVFOVRRG-UHFFFAOYSA-N 441.314 5.656 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 604466676 VWQNXHWHGYFTDV-GOSISDBHSA-N 447.991 5.619 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)o2)cc1 609057760 NECWAMBQGNLDJU-UHFFFAOYSA-N 449.466 5.433 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnc2onc(C(C)(C)C)c2c1 609060370 AVZDQARGTUIUFH-UHFFFAOYSA-N 440.503 5.532 30 20 IKED CSCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)oc2ccccc12 609061959 MSANMPUYOJXPGD-UHFFFAOYSA-N 442.540 6.307 30 20 IKED Cc1ccc(CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C2CC2)o1 609079918 LGHPAQDEDUCMNH-UHFFFAOYSA-N 435.911 5.889 30 20 IKED Cc1nc(-c2ccc(CCNC(=O)Nc3ccccc3SC[C@H](C)C#N)s2)cs1 609399450 YBIHYKNIDVDLLV-CQSZACIVSA-N 442.635 5.796 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 609401883 FXWJQBXDLZMRTB-DLBZAZTESA-N 428.989 5.240 30 20 IKED N#Cc1nc(N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)ccc1Cl 609511680 JPAFGQPBRVIQJK-JOCHJYFZSA-N 437.975 5.300 30 20 IKED Cc1ccc(SCC(F)(F)F)c(NC(=O)N2CCCN(c3ccccc3C#N)CC2)c1 609932980 UIVPTPPLZXFGAN-UHFFFAOYSA-N 448.514 5.265 30 20 IKED N#CCN(C(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1)C1CCCC1 609976883 CCFRFKIYARSWSL-UHFFFAOYSA-N 431.323 5.546 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cnn1-c1ccc(F)cc1F 610313352 USYPQHCSXHTWJU-UHFFFAOYSA-N 448.404 5.514 30 20 IKED Cn1ccnc1C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccccc1 610324158 CBAOSZULMUPYDR-DEOSSOPVSA-N 437.503 5.190 30 20 IKED N#Cc1cc(Cl)ccc1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 610654888 HPWRUSVFVCJSMK-MRXNPFEDSA-N 427.938 5.336 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2nccn2Cc2ccccc2)n(C2CCCCC2)c1C 611170697 ASJZHGYOZCUTOL-UHFFFAOYSA-N 447.608 5.457 30 20 IKED C=CCn1c(SCC(=O)N2CCC[C@@H]2C2CCCC2)nnc1-c1ccc(Cl)cc1 615199753 ZMAMVYWKGGUYQD-LJQANCHMSA-N 431.005 5.058 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1 618750664 HVKMVROYGXCWQI-HSZRJFAPSA-N 444.922 5.297 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)c2cc(F)ccc2F)nnc1-c1ccc(Cl)cc1 642046962 JFTXLOWYPCZEGO-CYBMUJFWSA-N 448.926 5.032 30 20 IKED C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 669812536 SNTBWWAHIMVCLK-LJQANCHMSA-N 443.551 5.014 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(F)cc(C(F)(F)F)c1 674785059 QMVUBKRATRKJON-UWVGGRQHSA-N 425.266 5.484 30 20 IKED Cc1ccccc1-c1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cs1 727626743 FGGKXFCIOGLHAX-CQSZACIVSA-N 430.316 5.387 30 20 IKED N#C[C@H](C(=O)/C=C\c1cccc(OC2CCCC2)c1)C(=O)Nc1ccc(F)c(Cl)c1 727953981 JUQXYLUASJZVTQ-SCEWNMGZSA-N 426.875 5.161 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(CCc2ccccc2)C2CC2)cc1 728739572 RYAWNQYEVSCORD-UHFFFAOYSA-N 427.504 5.598 30 20 IKED C=CCc1ccc(OCC(=O)Oc2ccc(NC(=O)c3sccc3C)cc2)c(OC)c1 729213988 HBPMZMDWYKCJAD-UHFFFAOYSA-N 437.517 5.030 30 20 IKED N#CCOc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)cc1 729241003 BLFHTRZPETWPSD-UHFFFAOYSA-N 436.924 5.434 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 730988920 FBJGVOKGPALARU-UZUQRXQVSA-N 442.540 5.645 30 20 IKED Cc1c(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)oc2ccc(Cl)cc12 731065212 ZTSNKOWMXKRSFW-ZDUSSCGKSA-N 442.924 5.584 30 20 IKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2C2CCC2)cc1 731308263 MRPUGTWFLWLKHE-OAQYLSRUSA-N 437.565 5.028 30 20 IKED CC[C@H](C#N)Oc1cccc(CNc2ncnc3scc(-c4ccc(OC)cc4)c23)c1 733793131 IKJPIKCQOHPNSU-GOSISDBHSA-N 430.533 5.660 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)c1 733844925 YPZZXUWRAPMTEB-NRFANRHFSA-N 442.519 5.250 30 20 IKED CC(C)c1ccccc1NC(=O)COC(=O)c1cccc(COc2ccc(C#N)cc2)c1 734585505 DYKVNGVQEWUTHS-UHFFFAOYSA-N 428.488 5.056 30 20 IKED COc1ccc(/C=C(\Cl)c2nc(O)c3c(-c4cccs4)csc3n2)cc1C#N 741852095 JIQCEIKSERDSBS-ZSOIEALJSA-N 425.922 5.743 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)c1C 741948502 KPEAVSFNJBINQS-UHFFFAOYSA-N 446.432 5.697 30 20 IKED O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc2c(c1)COC2 742436192 GOENZJPVSDHQPL-QPJJXVBHSA-N 440.249 5.544 30 20 IKED Cc1csc(SCc2c(C(=O)NCc3cc(C#N)ccc3F)oc3ccccc23)n1 742733805 YYZXHZPMAYQJDQ-UHFFFAOYSA-N 437.521 5.431 30 20 IKED C[C@@H](OC(=O)c1occc1COc1cccc(C#N)c1)C(=O)Nc1cccc2ccccc12 744926497 YWTOGVJVSPRIGO-QGZVFWFLSA-N 440.455 5.067 30 20 IKED CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCCCC1 746778642 PUCIZBMIJUNORE-JOCHJYFZSA-N 433.552 5.508 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1cc(Cl)sc1Cl)c1nc2ccccc2n1C(F)F 756245663 WYNVCHXWRHSLHU-SNVBAGLBSA-N 442.274 5.639 30 20 IKED C#CC[C@H](NC(=O)NCc1cccnc1Oc1ccccc1OCCC)c1ccccc1 757060146 XZPHFNPPQFNURW-QFIPXVFZSA-N 429.520 5.227 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O 769788635 HRYMFDYZUKEPPH-CQSZACIVSA-N 427.526 5.386 30 20 IKED N#Cc1cccc([C@@H]2CN(Cc3cccc(NC(=O)c4ccccc4Cl)c3)CCO2)c1 770385451 PYNQECOEEGOYRT-DEOSSOPVSA-N 431.923 5.037 30 20 IKED C=CCOc1cccnc1C(=O)O[C@H](C)C(=O)N1c2ccccc2Sc2ccccc21 775108521 XXJAGQHBNBQGNZ-MRXNPFEDSA-N 432.501 5.021 30 20 IKED COc1ccc(Cl)cc1[C@H](CC(C)C)NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N 775454061 JPSQHFSYCZEUGQ-CTNGQTDRSA-N 448.954 5.263 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cccc(Oc2ccc(Cl)cc2)c1 778297367 IFDMXONBGFNOPU-GOSISDBHSA-N 425.271 5.747 30 20 IKED C[C@H](NC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1)c1ccc(-c2cccc(C#N)c2)cc1 782753236 GFGQAOLIOJPZKA-NTUVXCKYSA-N 429.520 5.177 30 20 IKED CCc1cnc(/C=C2\CC(C#N)(c3ccccc3)C/C(=C\c3ncc(CC)s3)C2=O)s1 783699292 BDYYUYZYONJESP-ODPUSEOTSA-N 445.613 6.016 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(C#N)cc2Cl)cs1)c1ccc(F)cc1F 788360799 NXHDLTUAUFSBLZ-QPJJXVBHSA-N 443.862 5.527 30 20 IKED N#C[C@H](C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc2ccccc2n1 792111111 QUIKVSPDJSJASE-NFAHFFEMSA-N 435.327 5.557 30 20 IKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)sc2ccc(C#N)cc12 796749969 WQKBEERUYLORLV-INIZCTEOSA-N 441.484 5.357 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccnn2-c2ccccc2)cs1 798371322 BADJHLOUTPAJPZ-XFXZXTDPSA-N 432.480 5.049 30 20 IKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC)cc1 799222449 YPVZOLKZOASUMB-LJQANCHMSA-N 445.972 5.027 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)Nc2ccc(N3CCCCCCC3)c(F)c2)CC1 800556219 HSNOGHIBFZPTDM-UHFFFAOYSA-N 435.547 5.080 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NC[C@H](O)c3ccc(C(F)(F)F)cc3)c2)cc1 806258329 JYESUSJKUNHZHE-NRFANRHFSA-N 441.409 5.224 30 20 IKED C=C(C)CCc1noc(-c2ccccc2OCC(=O)Nc2ccc(SC(F)F)cc2)n1 809500306 HXKUBAHKPMHRFU-UHFFFAOYSA-N 445.491 5.578 30 20 IKED C=CC[C@H](C)NC(=O)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)o1 815641666 FFDMZAQPQGJDBW-KRWDZBQOSA-N 430.504 5.013 30 20 IKED COc1ccc2ccc(C(=O)[C@H](C#N)C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)cc2c1 816038833 IKNXMDUWVAEPQA-XCLFUZPHSA-N 441.314 5.355 30 20 IKED C=CCN(C(=O)c1cc2c(F)cccc2s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 896550536 DVILJAGSXZRKJE-UHFFFAOYSA-N 439.493 5.905 30 20 IKED FC(F)(F)c1nc(N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ccccc2n1 914785954 IGJPCSVIHUFKDL-MYJAWHEDSA-N 431.302 5.970 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C4SCCCS4)cc3)n2)cc1 915101024 AQBBRFWHJUETLY-IBGZPJMESA-N 436.627 6.477 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccsc2)cc1 915199734 KFMURVQQOOPNNX-QHCPKHFHSA-N 437.524 5.908 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 915200320 YREWUJOZFOYJPJ-VWLOTQADSA-N 438.531 5.225 30 20 IKED CC[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1OC 916720149 HRZAEEAIKBTLBK-QHCPKHFHSA-N 429.520 5.613 30 20 IKED C[C@H](Sc1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916845914 VRBUKEUWXGPCLA-NHYWBVRUSA-N 443.981 5.286 30 20 IKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1 916933287 BVMMCDOGFXDKAX-LUJNMSEFSA-N 436.920 5.438 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CSc2ccc(C(C)(C)C)cc2)cc1Cl 916940023 KBZHAIMFTFWXKX-QGZVFWFLSA-N 430.957 5.086 30 20 IKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1csc(Cc2ccccc2)n1 916946256 OQIPUWWEIPAPJM-INIZCTEOSA-N 430.316 5.002 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(Cc3ccccc3)n2)cc1 916949452 OPNLBWHFMKAOCW-HTAPYJJXSA-N 431.561 5.137 30 20 IKED CC(C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(COc2ccccc2C#N)o1 917328010 NMWBCRUGCLOOQP-KRWDZBQOSA-N 432.476 5.038 30 20 IKED CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1ccccc1 917373869 HHMGEZCFJHWSAS-HSZRJFAPSA-N 442.519 5.046 30 20 IKED O=C(/C=C\c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(N2CCCC2=O)cc1 918713789 VPZJEBJPKHZDAB-XFXZXTDPSA-N 442.462 5.852 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(-c3cccc(Cl)c3)nc2O)cc1 1525434706 OHAHGIYZZIDSOZ-UHFFFAOYSA-N 445.828 5.184 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cnccc34)CCC2)cc1 1789453891 HWRYIMJDDOKWOK-HXUWFJFHSA-N 428.536 5.079 30 20 IKED C=CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1Oc1cccc3ccccc13)C2 1802316364 MCPIPQUHANUOQT-KOUNCHBCSA-N 440.543 5.460 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3scnc3c2)n[nH]1 1819148945 FGFFMZIAAHSNRY-PXNSSMCTSA-N 449.580 5.094 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc3ccccc23)CC1 1827997402 RGIOGRSYUKZLAC-SANMLTNESA-N 445.607 5.237 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1 1831479797 FXARMJBGAOXHTO-GNLZIIPMSA-N 428.661 5.425 30 20 IKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 1831563554 WSUWCVAUCOPTIO-JMJGKCIBSA-N 436.706 5.023 30 20 IKED CC(C)[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)CC1 1831566041 RVRMRJDLXURNLW-GVUKDKGQSA-N 449.639 5.254 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1ccccc1Cl 10826194 RUMKZQYURYKUOI-UHFFFAOYSA-O 436.409 5.956 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)Nc1cccc(OC)c1 11261509 NDYHLHRYNDBHFD-UHFFFAOYSA-O 433.597 5.719 30 20 IKED C=CCn1c(SCC(=O)N(CC)c2cccc3ccccc23)nnc1-c1ccoc1C 21134359 XYYFDJWNXXKJDF-UHFFFAOYSA-N 432.549 5.331 30 20 IKED C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)C(=O)N(CCC#N)c1ccccc1 22095305 QOBCXGOWSWXLJB-GOSISDBHSA-N 447.608 5.207 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2SC)nnc1-c1ccc(F)cc1 22100716 XFJNIANKCHFUQW-AWEZNQCLSA-N 428.558 5.111 30 20 IKED C=C(C)CN/C(S)=C(/C(=O)c1ccc(Cl)c(Cl)c1)[n+]1ccc(C(C)(C)C)cc1 22796413 HONYFWCLHHACDU-UHFFFAOYSA-O 436.428 5.683 30 20 IKED COc1ccc(-c2nnc(SCc3cccc(C#N)c3)n2-c2ccc(OC)cc2)cc1 24967640 FSVOICPGAAZIMF-UHFFFAOYSA-N 428.517 5.115 30 20 IKED Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccccc2Sc2ccccc2C#N)c(C)c1 36747750 RWWDKEITIBJXFF-UHFFFAOYSA-N 443.572 5.345 30 20 IKED N#Cc1cnn(-c2ccc(C(=O)Nc3ccc(Oc4ccccc4Cl)cc3)cc2)c1N 72089889 TWLJHPRNRSJCRB-UHFFFAOYSA-N 429.867 5.024 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cnc(Sc2nccn2C)c(Cl)c1 116523099 JTTVTWUVCALOPS-UHFFFAOYSA-N 439.393 5.163 30 20 IKED O=C(c1ccc(Cl)cc1)C1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 195598863 YFCDSZCOUYXDFI-UHFFFAOYSA-N 448.872 5.015 30 20 IKED CC[C@H](C#N)Oc1cccc(CNCc2cn(Cc3ccccc3)nc2-c2cccs2)c1 236900681 OWSOMPLZXFSHSZ-HSZRJFAPSA-N 442.588 5.631 30 20 IKED CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 303153290 TVAYHJMEQINCSS-FQEVSTJZSA-N 433.533 5.962 30 20 IKED CC(C)n1c([C@@H]2CCCN(CC(=O)Nc3ccccc3SCC#N)C2)nc2ccccc21 303572441 NAKGOEPZEFXHJX-LJQANCHMSA-N 447.608 5.051 30 20 IKED CCCN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)[C@H](C)C(=O)Nc1ccccc1 303649645 TUZGHWPISRXIAM-HXUWFJFHSA-N 441.531 5.017 30 20 IKED COCCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(C#N)cc1 303857119 FVHGSUXGUYAOHT-UHFFFAOYSA-N 444.318 5.132 30 20 IKED N#Cc1ccc(NC(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)c(Cl)c1 426137232 DSWDBRWVJZLCMM-KRWDZBQOSA-N 428.678 5.263 30 20 IKED Cc1c(C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)sc2ccc(C#N)cc12 428131541 OXRAZVDZDFNMML-UHFFFAOYSA-N 425.513 5.610 30 20 IKED N#CCCn1ncc(C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)c1-c1ccccc1 428799486 WEHJVWDIMGIXSQ-IBGZPJMESA-N 448.954 5.048 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cccc(OCc3cn4ccccc4n3)c2)s1 430618532 VDFNZSVBDCEJSF-LJQANCHMSA-N 430.533 5.157 30 20 IKED C=CCC[C@H](NC(=O)N1CCCC[C@@H]1c1nccn1CC)c1ccc(C(F)(F)F)cc1 430886432 AIXADNJFXJQUNE-VQTJNVASSA-N 434.506 5.866 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])cc2)c1 430923832 GOZIDIHCYOSQAV-UHFFFAOYSA-N 438.237 5.274 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1ccccc1 433166923 LSINPWARLTZPSS-OAQYLSRUSA-N 431.496 5.083 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1ccc(SCc2cccnc2)cc1)c1ccccc1 435747468 IKTXYNYFCXKCBA-QHCPKHFHSA-N 431.561 5.136 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(Br)c(Cl)c2F)c1C 435861734 KMDWEKDGTPNASB-UHFFFAOYSA-N 447.695 5.168 30 20 IKED CCn1c([C@H]2CCCN2C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)nc2ccccc21 438653890 SMQXZQJJKICPCD-LJQANCHMSA-N 427.430 5.316 30 20 IKED CCOc1cc(NC(=O)c2ccc(C#N)cc2C)c(OCC)cc1NC(=O)c1ccccc1 439041573 KCJQTJFYKINCDK-UHFFFAOYSA-N 443.503 5.169 30 20 IKED C=CCN(C(=O)c1cccc(F)c1OCC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 443811179 AYBNFSZTDPGCRX-UHFFFAOYSA-N 427.457 5.089 30 20 IKED CC[C@@H](c1ccccc1)N1CC(=O)N(c2ccc(OCc3cccc(C#N)c3)c(F)c2)C1=O 445957890 UDMRMNJIXPSXSP-QHCPKHFHSA-N 443.478 5.196 30 20 IKED C=C(C)Cn1c(SCc2nc(-c3cccc(Cl)c3F)no2)nnc1-c1ccco1 460533782 YJBRYWILEXTFNE-UHFFFAOYSA-N 431.880 5.249 30 20 IKED CSc1cccc([C@@H](NCc2cccc(OCCCC#N)c2)c2ccc(F)c(F)c2)c1 462744759 WNMNMURIDJATRL-RUZDIDTESA-N 438.543 6.248 30 20 IKED COC(C)(C)c1nc(C)c(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)s1 463468445 FIEPBJQUABLIGF-UHFFFAOYSA-N 437.540 5.186 30 20 IKED C=CCN(CCc1ccco1)C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 464013681 VXZRQIJLTUXPPM-UHFFFAOYSA-N 441.890 5.587 30 20 IKED CC[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1nc(C(F)(F)F)cs1 465249582 AITHKSQSRPKYCT-HNNXBMFYSA-N 435.427 5.087 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cc(Cl)c(Cl)cc2F)CC1 466587948 NCJHUNRRTZJJDH-UHFFFAOYSA-N 449.269 5.107 30 20 IKED C=C(C)Cn1c(SCC(=O)N2CC[C@H](c3ccccc3)C[C@H]2C)nnc1-c1ccco1 466891697 SXCWULJBBHTVPK-QUCCMNQESA-N 436.581 5.001 30 20 IKED CCN(CC)Cc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1 470120191 FIHXEHDXUWBUOJ-UHFFFAOYSA-N 429.568 5.175 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Nc2ccccc2O[C@@H]2CCOC2)cc1 470593267 WZYXTDQMFATIKN-HXUWFJFHSA-N 445.475 5.171 30 20 IKED C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 471273853 SCFYQMLIMBRNLM-SUMWQHHRSA-N 437.849 5.595 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N[C@@H](c3cccc(Cl)c3)c3ccccn3)o2)cc1 472282867 VLFNAFWTXIWUOH-DEOSSOPVSA-N 443.890 5.298 30 20 IKED CCc1ccc(-c2noc([C@H](C)NC(=O)Nc3ccccc3S[C@H](C)CC#N)n2)cc1 473828681 YKGUFFXLPQPFNT-CVEARBPZSA-N 435.553 5.576 30 20 IKED Cc1cc(F)c(Br)cc1NC(=O)c1occc1COc1cccc(C#N)c1 475774284 NZVWAFBAFHMMNO-UHFFFAOYSA-N 429.245 5.193 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CCNC(=O)c1cc(F)ccc1Br 476152899 PRWXRVWLXOTLIB-UHFFFAOYSA-N 447.348 5.199 30 20 IKED CC[C@@H](C)c1ccc([C@@H](NC(=O)N2CCC(C#N)(COC)CC2)c2cccs2)cc1 476840544 BMLFLOVKQLHGMB-XMSQKQJNSA-N 425.598 5.313 30 20 IKED C[C@H]1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)[C@H](c2ccco2)C1 480386457 TVCLUDGXCUZJRQ-CYFREDJKSA-N 429.520 5.930 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)c2)cc1 482365851 MZKPTKKVMUXRCE-JOCHJYFZSA-N 425.513 5.938 30 20 IKED CCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1SC[C@@H](C)C#N 483481351 XWTCBSIOVSHDFW-AWEZNQCLSA-N 425.941 6.061 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 486242918 WWGZAOOAONWGJL-UKRRQHHQSA-N 448.375 5.237 30 20 IKED C=CCSc1ccccc1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 486244295 SPOUWLMBOUDHQW-UHFFFAOYSA-N 426.545 5.142 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 488311649 JICZMTYTEUNPBL-GFCCVEGCSA-N 438.431 5.187 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(F)ccc2F)nnc1-c1cccc(Cl)c1 489641101 CQHKRBXKNFDAPZ-GFCCVEGCSA-N 434.899 5.182 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3COc3ccccc3)c2)c1 490429603 DIKJMQXRPRCLEG-UHFFFAOYSA-N 447.494 5.642 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)n2)cc1 496569103 GOBSDNZVWXNMBI-OAHLLOKOSA-N 429.404 5.118 30 20 IKED O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1ccc(C(F)(F)F)cc1Cl 500235715 DDESRZRGIONABN-UHFFFAOYSA-N 429.719 6.081 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@H](c4ccccc4F)C3)cc2F)c1 504070077 QFDVDDUHXFOBFJ-IBGZPJMESA-N 433.458 5.437 30 20 IKED N#Cc1cc(NC(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)ccc1Oc1ccccc1 504770672 OKJVXBKNPCCDBI-IBGZPJMESA-N 441.535 5.295 30 20 IKED CC[C@H](C)n1ncc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c1C1CC1 505346106 VNCCXCITTXLVSK-MHECFPHRSA-N 428.536 5.305 30 20 IKED C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cc2ccccc2o1 509891690 VSJSSQSFCYJELH-SFHVURJKSA-N 425.488 5.961 30 20 IKED COc1ccc(C#N)cc1NC(=O)N(C)[C@H]1CCSc2ccc(Br)cc21 509993070 RNSRTHXWAMGVIY-INIZCTEOSA-N 432.343 5.030 30 20 IKED CN(Cc1ccc2ccccc2c1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511512504 GSBZODSCVCSXNI-UHFFFAOYSA-N 434.499 5.628 30 20 IKED N#C[C@@H](C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccncc2)cs1 512937163 JEQRUEUZLMFUFL-AWEZNQCLSA-N 441.356 5.733 30 20 IKED Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 513282569 ZMIVLDFLFYFFLT-UHFFFAOYSA-N 442.469 5.369 30 20 IKED CC1(C)CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)[C@@H]1[C@@H]1CCCO1 514759507 ZQVJOQUGJLYYBR-FCHUYYIVSA-N 439.943 5.212 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc(-c3cccc(F)c3)no2)cc1 516126909 OJISHGAGVZTXOE-UHFFFAOYSA-N 429.426 5.334 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)Oc1ccc(F)cc1Br 518668440 CKMBIFCUFNTFTA-STQMWFEESA-N 437.334 5.246 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 520170044 WLNJURWMJFYFQW-UHFFFAOYSA-N 441.535 5.892 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H](c1ccccc1)C1CCC1 520643953 GFEWQDQBTRCMEW-RUZDIDTESA-N 439.515 5.255 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCCC[C@H]3c3cc4ccccc4[nH]3)cc2)c1 520936599 DMBNMUWXLLHOLO-SANMLTNESA-N 436.515 6.591 30 20 IKED CC[C@H](C)n1ncc2c(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc(C)nc21 523230102 NYWSXEMVGHCYGG-HNAYVOBHSA-N 440.532 5.196 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1csc(-c2ccccn2)n1 524388729 VSLAZANBPMRRLF-UHFFFAOYSA-N 440.528 5.145 30 20 IKED CC(=O)N(c1nc(COc2ccc(C#N)c(Cl)c2)cs1)c1c(C)cc(C)cc1Cl 526126369 CMXWQUACBXMXJF-UHFFFAOYSA-N 446.359 6.202 30 20 IKED CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 531621249 UHSJUJLTWPNHNT-IBGZPJMESA-N 435.524 5.326 30 20 IKED COc1cc(CNC2(c3nc(C)cs3)CCCC2)ccc1OCc1cccc(C#N)c1 533523900 WJNKWXZIJZDOOC-UHFFFAOYSA-N 433.577 5.470 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[C@H]2Cn2cnc3ccccc32)cc1 533748758 WCAAGBKPBFUIAK-IBGZPJMESA-N 440.478 5.144 30 20 IKED CC(C)Cn1ncc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C(F)F 534639581 CAZFJIAFFAKCTK-SFHVURJKSA-N 442.897 6.038 30 20 IKED CC(C)(C)c1cc(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)c(C#N)s1 540275035 SWMZZIMBFHMHIL-UHFFFAOYSA-N 435.471 5.315 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C(=O)OC)c3c(F)cccc3Cl)o2)cc1 541780770 SINKEJXARQVVRT-QGZVFWFLSA-N 434.876 5.100 30 20 IKED N#Cc1ccc(SCc2nc(O)c3c(-c4ccco4)csc3n2)cc1C(F)(F)F 543862003 BQWPEGNAOZFDBP-UHFFFAOYSA-N 433.436 5.840 30 20 IKED N#CCCn1cc(/C=C\c2nc(Cc3ccc(Oc4ncccn4)cc3)no2)c2ccccc21 546390016 QQCUSUQYZPSHTM-XFXZXTDPSA-N 448.486 5.281 30 20 IKED CC(C)(C)c1csc(NC(=O)C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c1C#N 550654262 BGTGLGHAFBKDGP-UHFFFAOYSA-N 449.498 5.066 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCc2cc(Br)cc(F)c2C1 552977567 RSJRSQMWGJVLNT-ZDUSSCGKSA-N 448.361 5.430 30 20 IKED C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2ccc3ccccc3c2)n1Cc1cccs1 559167956 GVEZWNYCEYRQGM-MSOLQXFVSA-N 431.565 5.277 30 20 IKED CC(C)CC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 562571560 RYCUKNKLWKRKEI-UHFFFAOYSA-N 429.480 5.374 30 20 IKED COc1ccc(OC)c([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1 564440789 BBLQLQSNSULGLM-QHCPKHFHSA-N 444.491 5.132 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)c1nc(-c2ncoc2-c2cccc(C(F)(F)F)c2)no1 573139882 PSGXMNQJZIJRFK-LBPRGKRZSA-N 426.354 5.422 30 20 IKED N#Cc1ccc(CN(C(=O)NCc2ccccc2COCc2ccccc2)C2CC2)cc1 573343968 BWQVKWZYZGLETN-UHFFFAOYSA-N 425.532 5.149 30 20 IKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(N4CCCC4=O)ccc3F)c2C#N)C1 579900606 NRDYTUWEOGXGPQ-CQSZACIVSA-N 439.556 5.289 30 20 IKED CC(C)(CNC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)C(F)(F)F 583071899 BUAHOUOGYVHRMO-UHFFFAOYSA-N 439.331 5.742 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)Cn1c(Cc2ccccc2)nc2ccccc21 603533310 LCHURUIZZLXJBU-UHFFFAOYSA-N 446.510 5.325 30 20 IKED N#Cc1c(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)sc2c1CCC2 603750170 IRHUOYMHXNHOAS-UHFFFAOYSA-N 443.322 5.295 30 20 IKED COC(=O)c1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)oc1C 604089469 BAFBDLZSVXNPJN-UHFFFAOYSA-N 439.855 5.014 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2csc(-c3ccccc3)n2)cc1C 604449310 OSEYKDDSLMTENF-UHFFFAOYSA-N 441.560 5.134 30 20 IKED C[C@@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1c(Cl)cccc1Cl 604566165 HCLFWAKBZRRECF-LLVKDONJSA-N 449.388 5.751 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(CN3CCCCCC3)cc2)c1 608813122 XIMXZUGXBBHCSB-UHFFFAOYSA-N 429.520 5.359 30 20 IKED C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 609028601 IGBLNNLIQJOICR-GAJHUEQPSA-N 447.516 5.035 30 20 IKED CC(C)CC(=O)N[C@H](C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1 609176193 BJJOLYVVZREOMY-VWLOTQADSA-N 427.504 5.193 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3cnc4ccccc4c3C(F)(F)F)c2)cc1 609176944 XAEBYRDORXDDTE-UHFFFAOYSA-N 433.389 6.170 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(Cl)c(C(F)(F)F)c1 609370788 XPBIIKKDBDFVNJ-LBPRGKRZSA-N 428.863 5.771 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N(Cc2ccccc2)Cc2cc[nH]n2)c1 609731481 XAEHNAPAPJQVPD-UHFFFAOYSA-N 442.906 5.570 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c(Cl)c1 611092794 ILJGTJLZMVNDGO-UHFFFAOYSA-N 429.263 5.032 30 20 IKED C=CCN(C(=O)c1cc(C)n([C@@H](C)CC)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 611491598 ZRDQTBDKEFBWLE-AWEZNQCLSA-N 425.514 5.027 30 20 IKED CC(C)c1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nn1C(C)(C)C 613319681 LCLXXQPEKSDWIW-INIZCTEOSA-N 426.973 6.028 30 20 IKED COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)C[C@H](CC#N)c2ccccc2)cc1 619434639 LRAXUIXOVFZYIU-DEOSSOPVSA-N 428.532 5.320 30 20 IKED COCCn1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2ccccc21 619753812 OIIMVYZBAYCOJD-HNNXBMFYSA-N 443.450 5.406 30 20 IKED C=CCn1c(SCc2ncc(C(C)(C)C)o2)nnc1-c1ccc(Br)cc1 642141369 SBHCOCSTONPAFI-UHFFFAOYSA-N 433.375 5.471 30 20 IKED CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 670066666 HAFZLQMEUBPOMH-TXEJJXNPSA-N 446.317 5.161 30 20 IKED O=C(NCC1(c2ccc(F)cc2)CCCC1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674455306 YQHCFPHYIPUOKL-GJZGRUSLSA-N 426.376 5.020 30 20 IKED C=CCN(C(=O)c1ccn(C(F)F)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 678932978 OOVATQAFTXLYKX-UHFFFAOYSA-N 429.279 5.541 30 20 IKED O=C(CCCn1ccnc1)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 679995313 PZBXBGBIHDSKNE-AWEZNQCLSA-N 447.301 5.121 30 20 IKED Cc1nnc(-c2ccc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2)o1 680452125 TVRLWSXFZAOTKF-CQSZACIVSA-N 428.395 5.164 30 20 IKED O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 681490097 NJAOGNGFCYOPDW-AXFHLTTASA-N 442.709 5.326 30 20 IKED O=C(Nc1cc(Cl)c(Cl)cc1F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 685019709 YFPJUIYHLQNKGP-BQBZGAKWSA-N 441.174 6.164 30 20 IKED N#CCCCOc1cccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1 726801793 NGCSNBOBQHBZON-LDADJPATSA-N 448.491 5.794 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F 728964130 IMKUJQGJZDXINQ-JOCHJYFZSA-N 444.840 5.059 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(-n2cccc2)c(F)c1 729187578 FIFCTEVKGBLXOU-HXUWFJFHSA-N 439.446 5.370 30 20 IKED C[C@H](OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1c(F)cccc1F 729432087 UPTDPYDTPLQCGJ-QMMMGPOBSA-N 441.274 5.186 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2cc(Br)cs2)cc1 730685651 BAHNGZJAORCBBO-FZKQIMNGSA-N 433.371 5.304 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)Cc1ccccc1-2 731074355 PIROFBLXTQSLHF-QGZVFWFLSA-N 442.540 5.448 30 20 IKED CC1=C(C(=O)OC(C)C)[C@H](c2ccc(O[C@@H](C)C#N)cc2)NC(=O)N1c1ccc(C)cc1C 731431485 MOPZSUJVAKQKQL-UUOWRZLLSA-N 447.535 5.091 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C=NNc1nccnc1Cl 733079807 UBTVCBMTHRGWTP-UHFFFAOYSA-N 430.126 5.089 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C/C(=O)c1c(Cl)nc2sccn12 741842705 BGVOXKIUCQYTIF-VOTSOKGWSA-N 435.311 5.291 30 20 IKED Cc1cccc(C2(O)CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)CC2)c1C 742102555 QPMJEHNTYPIMSI-UHFFFAOYSA-N 440.543 5.286 30 20 IKED Cc1cccc(C2(O)CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CC2)c1C 742103809 RNMGSRAWJGUWHO-UHFFFAOYSA-N 444.506 5.230 30 20 IKED CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCc2ccc(OC)c(O[C@H](C#N)CC)c2)o1 745820878 WUFGCOKKFJHWHI-QMMLZNLJSA-N 439.556 5.214 30 20 IKED O=C(CON=Cc1cccc(OCc2ccncc2)c1)Nc1ccccc1-c1ccccc1 746331049 SBUAQIGCPKDMAS-UHFFFAOYSA-N 437.499 5.317 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1 748314324 MFXZYJBFPOWUOL-NRFANRHFSA-N 427.529 5.320 30 20 IKED COC(=O)[C@H](N[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1)c1ccc(C#N)cc1 754955157 XTGRGRYPVAZETJ-RNODOKPDSA-N 425.941 5.209 30 20 IKED Cc1sc2ncn(N=Cc3c[nH]nc3-c3cccc(Cl)c3)c(=O)c2c1-c1ccccc1 755534208 UYPAKBBAQBGAPE-UHFFFAOYSA-N 445.935 5.359 30 20 IKED C#CC[C@H](NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccccc1 757612634 KODNMRPQASXJPE-ZEQRLZLVSA-N 430.935 5.082 30 20 IKED CCOc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)cc2)cc1 761814215 BEHTZLBINZOLSK-RUZDIDTESA-N 443.503 5.355 30 20 IKED C=CCn1c(SC[C@H](O)c2ccc(C#N)cc2)nc2sc(-c3ccccc3)cc2c1=O 763234027 YVNMMVSAFSLRQI-FQEVSTJZSA-N 445.569 5.008 30 20 IKED CN(Cc1ccc(C#N)cc1)Cn1nc(-c2cccc(Cl)c2)n(Cc2ccco2)c1=S 764884184 XYMQHJCOVXLMLC-UHFFFAOYSA-N 449.967 5.337 30 20 IKED C=CCn1c(-c2cnccn2)nn(CN2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c1=S 764899103 QDYQWENGWLIUPN-SFHVURJKSA-N 447.395 5.158 30 20 IKED CCOC(=O)Nc1nc2ccc(NC(=O)c3cn(CCCC#N)c4ccccc34)cc2s1 767777825 CFLKUUNFQVDRMA-UHFFFAOYSA-N 447.520 5.375 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCC[C@H]2c2ccc(F)cc2F)cc1 770233126 WPBHKHWMLPFCCZ-NOZRDPDXSA-N 431.486 6.379 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCC1 770444125 GARQBZXRJRTUFE-VQIMIIECSA-N 446.617 5.143 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cc(Cl)c(N)c(Cl)c2)cs1 773163808 ZCBGNPKIAMIUSL-VMPITWQZSA-N 446.359 5.921 30 20 IKED C[C@H](N[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 774796438 HROKRXJQCHIMSS-SFYZADRCSA-N 426.307 5.079 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)OCc1ccc(-c2ccccc2C#N)cc1 778162772 AGDMFRDNLVIFGF-HNNXBMFYSA-N 441.453 5.448 30 20 IKED C[C@@H](C#N)Oc1ccccc1NCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 779988891 MJTAZOYCDOZMFC-HNNXBMFYSA-N 440.330 6.149 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N)c1ccccc1-c1ccc(Cl)cc1 780055000 BNIYVCBSTQMCBW-SJORKVTESA-N 447.922 5.114 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cc(Br)ccc1Br 780471964 MGZQVDLKLHDHHQ-SNVBAGLBSA-N 439.107 5.146 30 20 IKED Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 782393415 SZYFABBNXMGYQX-LBPRGKRZSA-N 441.340 5.100 30 20 IKED C=CCCN(OCc1ccccc1)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 782724587 BMENQIDOVZLSNH-UHFFFAOYSA-N 439.899 5.727 30 20 IKED C[C@H](C#N)Oc1ccc(CN[C@H](Cc2ccccn2)c2ccc(Br)cc2)cc1 788968945 DEXRSAJCKHTMSR-UZUQRXQVSA-N 436.353 5.209 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 790768782 OLMJBXPIWZULEG-SFHVURJKSA-N 448.548 5.361 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/C(=O)c1ccc(C(=O)N(C)C)cc1 792924546 MNFWEMSVGONYSU-OUKQBFOZSA-N 442.346 5.145 30 20 IKED CC[C@](C)(C#N)C(=O)Nc1ccc(-c2ccc(NC(=O)[C@@](C)(C#N)CC)c(C)c2)cc1C 796795326 KXZZPGMBKHSGEY-CLJLJLNGSA-N 430.552 5.727 30 20 IKED CC(C)(C)OC(=O)N1CCc2cc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)ccc21 797571146 OHSRWBNCGUIGPL-MRXNPFEDSA-N 425.554 5.228 30 20 IKED CCOc1ccc(N(C(=O)/C=C\c2ccccc2C#N)c2nc3ccccc3s2)cc1 799722700 NUOWJUQEOLUYNN-WJDWOHSUSA-N 425.513 5.945 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cc(-c3ccc(OC)nc3)ccc2C)c1 801873067 LKBWOYAMIZXDCO-NRFANRHFSA-N 430.508 5.068 30 20 IKED COc1ccc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc2c1 815907012 PJYWFQHWTYHDFL-LJQANCHMSA-N 426.444 5.124 30 20 IKED N#C[C@H](C(=O)COc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915101464 BTHSNVRVMXSIHO-OAHLLOKOSA-N 448.287 5.280 30 20 IKED N#C[C@H](C(=O)C1(c2ccc(Br)cc2)CC1)c1nc2ccccc2n1C(F)F 915105043 YIIYHCROIBZVDL-CQSZACIVSA-N 430.252 5.102 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(C3CCCCC3)CC2)cc1 916721118 WOKKVCIDUFCPEZ-UHFFFAOYSA-N 431.580 6.156 30 20 IKED N#C[C@@H](C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 916844671 USEBTBIUBGDPRW-CVDCTZTESA-N 431.948 5.915 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCSc1ccc(C)c(C)c1 916902775 JPIVUQJXGCKOFB-KRWDZBQOSA-N 430.957 5.104 30 20 IKED Cc1ccc(SCCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916907355 YDANCEXWVCBLDM-OAQYLSRUSA-N 430.529 5.617 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CC(=O)N(c4ccccc4Cl)C3)n2)cc1 916975301 XHUQEZHLQPHENM-SJORKVTESA-N 435.936 5.001 30 20 IKED N#C[C@H](C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1nc2ccccc2o1 917509864 FGTNHVRPLJRAHT-XXBNENTESA-N 432.932 6.180 30 20 IKED N#Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)s2)SC1=S 917644816 MFGDQRVFUFUDPF-YBFXNURJSA-N 449.538 5.601 30 20 IKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1 917757600 RYUSMHBOKQXHOQ-JQIJEIRASA-N 438.936 5.398 30 20 IKED C=CCn1c(SC[C@H](O)c2ccccc2C(F)(F)F)nnc1-c1ccc(Cl)cc1 918748300 SGAWFIMNZFQFNB-KRWDZBQOSA-N 439.890 5.629 30 20 IKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC[C@H]2c2ccccn2)c1=S 919951607 NOESLUDJIZMBSP-QFIPXVFZSA-N 433.625 5.754 30 20 IKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@H](C#N)c1ccc2ccccc2n1 920106107 KQRTZKVANCUFDD-DNVCBOLYSA-N 447.947 6.041 30 20 IKED CC(C)(C)N(N=Cc1ccc(N2CCOCC2)cc1)C(=S)Nc1cccc(Cl)c1 920385134 LMRWMEIELBGLTA-UHFFFAOYSA-N 431.005 5.008 30 20 IKED CCN(CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=S)Nc1ccccc1C#N 920997072 LLMUREZSRGEQPN-UHFFFAOYSA-N 435.424 5.406 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4sccc4F)cc3)CCC2)cc1 1786523378 RDIFJVRXXNHMEO-UHFFFAOYSA-N 433.508 5.015 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)CCC(F)(F)F)CCC3)cc2)c1Cl 1790081609 FFEOVZDMOYYMQK-UHFFFAOYSA-N 449.860 5.302 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2cccc(C)c2)[C@@H]1c1cccnc1 1804036714 UBRJAUUODJSYNI-AHWVRZQESA-N 447.623 5.021 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)CCC4CCCC4)C3)CC2)c1 1808953881 LDWUDRGLNISAJX-OAQYLSRUSA-N 435.612 5.129 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C)cc2C)[C@H]1c1cccnc1 1810505339 RJYXSNMZFDFYKY-UPVQGACJSA-N 433.596 5.010 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)cnc2Cl)n[nH]1 1816622037 XCEQDVMQOXMRKE-GOSISDBHSA-N 443.979 5.065 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3cnccc23)n[nH]1 1819125962 DTMUJQUPKYSGJK-QHCPKHFHSA-N 443.551 5.032 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(OC)c2C)n[nH]1 1823115128 VPSHMYWOMNEWHO-HXUWFJFHSA-N 438.572 5.025 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CSc2ccccc2)CC1 1826519798 ATYQSZJPNDKHAR-DNQXCXABSA-N 440.653 5.167 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccoc3s2)CC1 1828823878 BZMJTNWIVXQXLR-LEWJYISDSA-N 440.609 5.496 30 20 IKED Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1830005516 UDEDQXFJHKYDJR-LVXARBLLSA-N 443.591 5.169 30 20 IKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)CC1 1830422673 XGURODLWPMQCBW-GMAHTHKFSA-N 436.706 5.167 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)noc2-c2ccccc2)CC1 1831370935 PHFNJVDNDHXGQT-AUSIDOKSSA-N 449.595 5.096 30 20 IKED N#Cc1ccc(F)c(CSc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)c1 10616271 WSMHAMJYLBKMON-UHFFFAOYSA-N 444.491 5.025 30 20 IKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2ccccc2)cc1C 15247683 KWQAWDDQTTVMOL-UHFFFAOYSA-O 440.386 5.404 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1)=C(/S)Nc1ccc(OC)cc1 22731116 UIIUQASTEYUADB-UHFFFAOYSA-O 425.961 5.249 30 20 IKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2ccccc2)c1C 28793393 QVXCHOKGLVNVRX-UHFFFAOYSA-O 434.585 5.296 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(N3CCCCCC3)nc2)cc1 58515686 YTSOGAVEBFAMON-UHFFFAOYSA-N 442.538 5.315 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3cccc(C(F)(F)F)c3)c2)cc1 71922946 FXWXDASMOVTLPU-UHFFFAOYSA-N 439.437 5.672 30 20 IKED C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 72040948 KSLIBCXBYWEZSR-AWEZNQCLSA-N 436.855 5.351 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cc3ccccc3n2Cc2ccccc2F)cc1 111183727 JZOANGVRSJUHIO-UHFFFAOYSA-N 441.506 5.788 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](CCC)c2ccccc2)nnc1-c1ccccc1F 216507846 IINKDTMRFTZBIJ-DYESRHJHSA-N 438.572 5.408 30 20 IKED Cc1ccccc1COc1cccc(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 303314798 RYYFBHRDXGGNMF-IBGZPJMESA-N 430.573 6.007 30 20 IKED C[C@H](Oc1ccc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1)c1ccccc1 409526195 ZVTCACPYBKXFJF-IBGZPJMESA-N 428.488 5.158 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1-c1ccccc1 428288977 RGIWZWCMPLCCRV-UHFFFAOYSA-N 433.471 5.524 30 20 IKED Cc1cc(COc2ccc(C(=O)Nc3ccc(C#N)cc3Cl)cc2Br)no1 430365171 DEOCQLJHBKNRAN-UHFFFAOYSA-N 446.688 5.102 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(CCc1ccccn1)Cc1cccnc1 432093310 JVLSNGFXUXBMFC-IBGZPJMESA-N 431.565 5.005 30 20 IKED CC1(C)CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)[C@@H]1c1cccnc1 432676903 CETNIBGDTPBZSV-FYYLOGMGSA-N 430.939 6.005 30 20 IKED CCc1ccc([C@H](COC)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)o1 437971505 FQEUVDSNRBFATA-QHCPKHFHSA-N 433.508 5.110 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)nc2ccccc21 442608807 XEBQOSRZLBSQFG-AWEZNQCLSA-N 437.286 5.557 30 20 IKED N#CC1CCC(CNC(=O)C(=O)Nc2ccc(Cl)cc2-c2cccc(Cl)c2)CC1 443336180 UTMIAOYFJKGUKU-UHFFFAOYSA-N 430.335 5.045 30 20 IKED C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)c1cccc(SCC#N)c1 444080488 RZJZUEKNTRMUQC-ZDUSSCGKSA-N 431.348 5.667 30 20 IKED CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)c1c(F)cc(C#N)cc1F 446079917 KWTOFQZAJLSSAT-UHFFFAOYSA-N 427.426 5.116 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3C[C@@H](CO)[C@H](c4ccc(Cl)cc4)C3)cc2)cc1 461271489 UPAWSRBNEKZWHX-OFVILXPXSA-N 446.934 5.046 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(C(=O)[C@@H](C)c3cccc(C#N)c3)C2)n1 462331079 IPEZSUHUNPJFAE-PXNSSMCTSA-N 431.561 5.200 30 20 IKED CS(=O)(=O)c1cccc([C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)c2ccc(F)cc2)c1 463085053 YARKOQNHXIPGLA-NRFANRHFSA-N 448.441 5.321 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cc(C3CC3)nc3ccc(F)cc23)cc1 463285207 JDAWULIRADETMH-UHFFFAOYSA-N 427.401 5.328 30 20 IKED COc1cccc(F)c1[C@@H](C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 466117884 OLTAGRBXRWOGPG-QGZVFWFLSA-N 433.483 5.362 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cc(F)c(OC(F)F)cc1F 468201671 NURZFYQYNLYKNI-UHFFFAOYSA-N 432.398 5.841 30 20 IKED C[C@@H](CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C(=O)c1cccc(F)c1 468407748 JGUHJMKTMSWTLI-SFHVURJKSA-N 430.479 5.318 30 20 IKED Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 470269036 RVEZYACEIDCGOI-FTJBHMTQSA-N 426.516 5.504 30 20 IKED Cc1c(C#N)c(NC(=O)CN2CCCC[C@H]2c2nc3ccccc3o2)n(C2CCCC2)c1C 474216798 YHCGFXPXPXNHAD-QFIPXVFZSA-N 445.567 5.399 30 20 IKED C[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1cccc(NC(=O)Cc2ccccc2F)c1 474911812 YJDARKKLTJJCRH-GOSISDBHSA-N 443.522 5.299 30 20 IKED CC(C)(C)n1cc(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)c(-c2ccc(F)cc2F)n1 483188741 BKWZMSBEVQZIAJ-INIZCTEOSA-N 431.446 5.017 30 20 IKED CC[C@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 485986229 QJVOEKJAXVYNBT-XMMPIXPASA-N 427.504 5.289 30 20 IKED O=C(NCc1ccc(COCC(F)(F)F)cc1)N[C@@H](c1ccc(F)cc1)C(F)(F)F 487171022 YSPBMBBCOHLSLT-INIZCTEOSA-N 438.343 5.007 30 20 IKED Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3S[C@H](C)CC#N)o2)cc1C 487240225 SBIIPDJBTYICRT-MRXNPFEDSA-N 438.578 5.479 30 20 IKED Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N(C)c1ccc(Cl)cn1 487496735 AFBZWCGIACHZDN-UHFFFAOYSA-N 440.956 5.350 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 487718302 SWSHKSIFKVPKKU-AWEZNQCLSA-N 449.561 5.343 30 20 IKED Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)cc1 488382082 UWFSCZBJIQURQL-PXDATVDWSA-N 439.559 6.050 30 20 IKED C[C@@H](Sc1nnc(-c2ccc(Cl)s2)o1)C(=O)Nc1ccc(C#N)c(Cl)c1 488856990 NFCMNVRXYJSUIH-MRVPVSSYSA-N 425.322 5.096 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2[nH]c3ccc(F)cc3c2Cl)cc1 490633060 WKPWEAPJLRFLGJ-UHFFFAOYSA-N 433.870 5.858 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCc1c[nH]c2cccc(C)c12 491480592 QWXKVRZCAXFDFS-UHFFFAOYSA-N 438.531 5.600 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCc4ccccc4C3)s2)c(C(F)(F)F)c1 496352298 YWOWCIGUITZRKG-UHFFFAOYSA-N 442.466 5.215 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ncc(Cc2ccccc2F)s1 496393912 KKJVTFJKQMPNKN-UHFFFAOYSA-N 427.549 5.261 30 20 IKED Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)N(C)CC(C)(C)C#N)c12 497214336 JMARJTIDARPKIO-UHFFFAOYSA-N 429.549 5.079 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1cc(-c2ccc(OC)cc2)cs1 498606124 WLDSMJDHDNFXHR-UHFFFAOYSA-N 438.597 5.489 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)cc1 499455804 MKBGAYJVXTYCLT-ROUUACIJSA-N 437.259 5.015 30 20 IKED N#C[C@H](NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1)c1ccccc1Cl 505631576 ILRACRYEYRFLMG-SFHVURJKSA-N 441.965 5.127 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1 505976371 LFTYWZNVZJMHTN-IBGZPJMESA-N 426.259 5.032 30 20 IKED O=C(Nc1cc(C(F)(F)F)cnc1O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 506905017 YGCRRVXILGTXMP-NSHDSACASA-N 447.257 5.250 30 20 IKED CC1(C#N)CCN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CC1 508465660 IJDBIMXJPLUCQG-UHFFFAOYSA-N 446.866 5.015 30 20 IKED C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1c(Cl)cccc1Br 509074556 KHJZHQALMNZUFG-NSHDSACASA-N 445.791 5.155 30 20 IKED CCOc1ccccc1CN(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510056998 PANFPGOPFJXXJG-QFIPXVFZSA-N 433.939 6.058 30 20 IKED CCSc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 510215410 WOLKUCFSXOTUPD-KRWDZBQOSA-N 445.544 5.278 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(Cl)c(Br)c2)c1C 510218114 WTHNWYKIDWEQHG-UHFFFAOYSA-N 429.705 5.029 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 510231146 WKTQAZCJDMHZDE-QMHKHESXSA-N 425.488 5.506 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCC(=O)CCC(=O)c1cccs1 510283898 QVTLMHNSSAYFMU-UHFFFAOYSA-N 446.528 5.671 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2cc3cccc(OCC)c3o2)cc1 511015143 OPLVAZMGQBBJFJ-GOSISDBHSA-N 447.535 5.528 30 20 IKED CC(C)OCc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 513864502 UUQYDTZFHNPBST-UHFFFAOYSA-N 431.511 5.857 30 20 IKED C=CCn1c(SCCC(=O)Nc2c(C(C)C)cccc2C(C)C)nnc1-c1ccncc1 514486776 CULDZZKSIPZPNO-UHFFFAOYSA-N 449.624 5.894 30 20 IKED CC(C)c1ccc(CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 516722123 DZSLOXOUCGTVHB-HSZRJFAPSA-N 445.950 5.374 30 20 IKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccccc2OCc2ccccc2Cl)n1 516787728 DJXQAKRWLHFKKK-INIZCTEOSA-N 440.908 5.042 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 517457333 MYSUQBZFWMXYDD-CYBMUJFWSA-N 444.969 5.373 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@H](C)Oc1ccccc1C#N 518041692 WPQSERPQPMHWPF-ZFWWWQNUSA-N 425.941 5.288 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCC1(c2cccc(Cl)c2)CCOCC1 518684620 HYEWUBKUVYKQAB-KRWDZBQOSA-N 444.000 5.462 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1nnc(-c2ccccc2)o1 519433732 BSFWBOIUXPERHS-UHFFFAOYSA-N 446.454 5.332 30 20 IKED COCCc1ccc(Oc2ccc(NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2)cc1 521258680 CGSDYHVTDPPYCZ-UHFFFAOYSA-N 443.547 5.982 30 20 IKED Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 523419416 DEVKWIHGEHKOMK-OAQYLSRUSA-N 427.548 5.735 30 20 IKED C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 524623766 OYXGIRBKLALNGP-NRFANRHFSA-N 440.547 5.479 30 20 IKED CC(C)Sc1c(Cl)cccc1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 525499823 DAYIIIVSAXKOGT-UHFFFAOYSA-N 436.986 5.170 30 20 IKED C[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc([S@](C)=O)cc1 533749482 NCFBBNXLNRQWBI-JGVYIQDASA-N 438.936 5.232 30 20 IKED Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)c4ccc(CC#N)cc4)cc3s2)s1 535408017 YCBHTJDVWZBMBG-UHFFFAOYSA-N 432.530 5.237 30 20 IKED COc1ccc([C@H](NCc2cccc(C#N)c2F)c2ccccc2)cc1Br 537048185 QXMIWPLRPKZZBK-JOCHJYFZSA-N 425.301 5.348 30 20 IKED Cc1sc(NC(=O)CN[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c(C#N)c1C 539422683 BLEOUDDHGYNPFE-OAHLLOKOSA-N 435.393 5.087 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 541367513 MLSQEDSDEGNXSB-UHFFFAOYSA-N 425.410 5.345 30 20 IKED N#C[C@@H](C(=O)c1ccc(OC2CCCC2)nc1)c1nc(-c2c(F)cccc2F)cs1 542878114 RRJRVJJJSKZXRP-HNNXBMFYSA-N 425.460 5.295 30 20 IKED N#Cc1ccc(-n2ccc(NCc3nc(-c4ccc(C(F)(F)F)cc4)no3)n2)c(Cl)c1 542941058 QLXPLTQIKMBWCG-UHFFFAOYSA-N 444.804 5.078 30 20 IKED CC(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC(CC#N)CC1 559095936 LLSQDBCBFBGJTE-UHFFFAOYSA-N 429.568 5.310 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1 559306341 PKERROYPGCBTMR-UHFFFAOYSA-N 436.943 5.006 30 20 IKED Cc1nc([C@@H]2CCCOC2)sc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 559536119 ZWXVXOXRYIWVEH-LJQANCHMSA-N 433.533 5.049 30 20 IKED N#Cc1cc(Oc2ccc(N[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)cc2)ccn1 571697544 BCDHNDLJJRVCKC-VWLOTQADSA-N 438.462 5.677 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1occc1CN1c2ccccc2C[C@H]1C 571772016 WKZJTYTXFBZSEX-ZWKOTPCHSA-N 431.561 5.735 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H](c2c(Cl)cccc2Cl)C2CC2)cc1 577150133 IJVNHYWCPOUBAC-IBGZPJMESA-N 430.335 5.001 30 20 IKED CCCN(C(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[C@@H](CC)c1ccccc1 583964828 DJCQUVHDQXXERD-DEOSSOPVSA-N 442.519 5.074 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2nc3c(Br)cccc3s2)c(Cl)c1 588091948 VNMGPYXNUAVWIU-UHFFFAOYSA-N 427.110 5.490 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CC[C@@H](c2cccc(F)c2)C1 591562170 WNCQUDDJPQDOQH-NYTXWWLZSA-N 426.376 5.234 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)c(C)c2c1 595984460 UBVYGLXLYJYNKT-UHFFFAOYSA-N 438.483 6.179 30 20 IKED Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1NC(=O)c1ccccc1 603587683 UNVVZMCFFHRGST-HNNXBMFYSA-N 429.545 5.558 30 20 IKED N#Cc1ccc(CSc2nccn2-c2ccc(C(=O)NCc3cccs3)cc2)c(F)c1 603725945 OXADJPUJMHNPBU-UHFFFAOYSA-N 448.548 5.167 30 20 IKED Cc1ccc(-c2ncc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)s2)c(C)c1 604509009 VHBMWQSXZRQTHW-UHFFFAOYSA-N 440.528 6.047 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(C(=O)NCCC)c(Cl)c1 606772447 SYLGIAJHJOOJKQ-UHFFFAOYSA-N 440.849 5.316 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OC(C)C)cc1C(F)(F)F 608838693 YIZQBHMJUDNTGF-UHFFFAOYSA-N 433.474 5.486 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 608994606 OOZYCRQWPKOKIP-OAQYLSRUSA-N 436.943 5.121 30 20 IKED COc1ccc2c(c1)CCCN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1C)C2 609137815 HBMMCTYWINLSCZ-UHFFFAOYSA-N 427.504 5.648 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccccc4Cl)C3)cn2)c1 609147523 AZBFEIAMGZGZFQ-NRFANRHFSA-N 434.883 5.004 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)c2)cc1 609176568 NIXPUSDPLCDUOT-SANMLTNESA-N 447.494 5.460 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H](c2cc3ccccc3[nH]2)C1 609385110 PBZVHHLSLRWUPI-UYAOXDASSA-N 432.593 5.238 30 20 IKED CCN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@@H](C)Cc1ccc(OC)cc1 609433813 HDQADJXFBYRAAJ-SFHVURJKSA-N 430.508 5.239 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1 609723429 SKZDKZLKCHGYQO-UHFFFAOYSA-N 431.879 5.383 30 20 IKED COc1cccc(/C=C(\CC(=O)N(CCC#N)CC(C)(C)C)c2nc3ccccc3s2)c1 609815964 DEVSYCFVCZXAKC-HMMYKYKNSA-N 447.604 6.024 30 20 IKED C[C@@H](NC(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1cccc(C#N)c1 610406227 FVEOMWDCXPZSBN-CYBMUJFWSA-N 430.455 5.261 30 20 IKED CCOC(=O)c1sc(NC(=O)c2cc(SC)c(Cl)cc2Cl)c(C#N)c1C 610752669 NTWRDRIVNRNFDL-UHFFFAOYSA-N 429.350 5.386 30 20 IKED C[C@@]1(C#N)CCCN(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)(F)F)C1 612310667 SEVBDZSJBBOXEY-HNNXBMFYSA-N 425.398 5.517 30 20 IKED CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc3c(c(-c4ccco4)c2C#N)CCC3)c1 612736284 AUHFAAPUNMHGHB-OAHLLOKOSA-N 431.517 5.024 30 20 IKED N#C[C@@H](C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1nc(-c2ccccc2)cs1 613392187 LFSLCSBTMWGMEK-NRFANRHFSA-N 438.512 5.944 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 613403836 VQPFRIPRVCAEJM-GFCCVEGCSA-N 441.921 5.655 30 20 IKED CCCN(Cc1ccc(F)cc1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 622093021 STGZQXXEKZGDRM-ZIAGYGMSSA-N 428.392 5.657 30 20 IKED C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 670215987 KTGFGYSWRYLBOE-KBPBESRZSA-N 436.375 5.146 30 20 IKED CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 674492502 CZCGZRNYYJYLLN-MJBXVCDLSA-N 435.330 5.788 30 20 IKED C[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1ccc(OCC2CC2)c(F)c1 675247983 WEVVROHTUFKDSV-HONMWMINSA-N 442.375 5.058 30 20 IKED Cc1c(S(=O)(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)oc2ccc(F)cc12 675452696 NXEAKCBRKRXYRU-UWVGGRQHSA-N 447.372 5.068 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1ccc(OC)c(F)c1 726488147 YHPFLLSOEGDKFX-UHFFFAOYSA-N 427.314 5.121 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C)c(C)c2)[n+]2ccc3c(c2)CCCC3)c1 726572805 PFPMYOPOQZSBDS-UHFFFAOYSA-O 439.604 5.774 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)sc2C)[n+]2ccc(CCC)cc2)c1 726572972 SUCGOHQQZOMTSS-UHFFFAOYSA-O 433.622 5.910 30 20 IKED CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(COc2ccc(C#N)cc2)o1 728111001 YPIOMLQCIZPRIQ-ROUUACIJSA-N 446.503 5.428 30 20 IKED CCc1ccc2c(CNc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc(=O)oc2c1 728299114 NRKQTLKXWUXLCA-UHFFFAOYSA-N 428.463 5.557 30 20 IKED CC1(C)CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCN1Cc1ccccc1 729552441 GNSPLSFAGIISEJ-SANMLTNESA-N 438.575 5.470 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(c2cccc(F)c2)CCCC1 731071864 RSYDIKADJZUPCG-KRWDZBQOSA-N 440.540 5.214 30 20 IKED C#CCN(C(=S)Nc1ccc(OCC)cc1)[C@@H]1CCOc2ccc(Br)cc21 733087122 OJBGTRXXWSSJDY-LJQANCHMSA-N 445.382 5.004 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H]2CCSc3ccc(Cl)cc32)ccc1OC 733640467 AAYTWONLIYBJKK-WMZOPIPTSA-N 445.972 5.066 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Oc3cccc(NC(=O)c4cccs4)c3)cc2)nc1 734116840 LWBGSYCUDXDEKE-UHFFFAOYSA-N 441.468 5.279 30 20 IKED C[C@H](OC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)C(=O)Nc1ccccc1C#N 735165236 CMBWNUTZSRCFOZ-HNNXBMFYSA-N 445.862 5.060 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1 737028688 RGTFVTXRXKAFKX-UHFFFAOYSA-N 434.540 5.145 30 20 IKED CCOc1c(Br)cc(/C=C\C(=O)c2c(Cl)nc3ccccn23)cc1OC 737448872 KFJCFFJLGVSBCD-FPLPWBNLSA-N 435.705 5.054 30 20 IKED CCCCOc1ccc(NC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c(C)c1 740507781 PUYZUUIQVUJXGM-UHFFFAOYSA-N 447.560 5.029 30 20 IKED CCCOc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1OC 741446927 CCVJCLORGPYEBT-RIYZIHGNSA-N 428.550 5.096 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cnc(-c2ccccc2)[nH]1 741454754 FWFGACZPGVYJJZ-UHFFFAOYSA-N 445.935 5.359 30 20 IKED COC(=O)[C@H](Sc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccc(C#N)cc1 741737118 PGVWWMUJDUGUJA-JOCHJYFZSA-N 440.528 5.121 30 20 IKED CC(=O)N(c1nc(C=NNc2c(Cl)cc(Br)cc2Cl)cs1)C1CC1 741844373 PAYCORDFPWGOCM-UHFFFAOYSA-N 448.173 5.174 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 743152489 WTYXYFWBALVRLY-KZNAEPCWSA-N 446.617 5.143 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(c2ccc(C)c(F)c2)C(=O)N[C@@H]1c1scnc1C 743743085 YIGOKDXXCWMPPX-FQEVSTJZSA-N 439.487 5.309 30 20 IKED N#C[C@H](C(=O)[C@@H]1SCCc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 744034622 DJBSWJUFXIMVHB-OXQOHEQNSA-N 445.396 6.324 30 20 IKED COc1ccc2c(c1)c(C(=O)O[C@@H](C)C(=O)Nc1ccccc1C#N)c(C)n2C1CCCC1 745193261 LFITZFKRNGCOEO-KRWDZBQOSA-N 445.519 5.129 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)n1 747199213 RKBVHFPMVGVXFG-WMLDXEAASA-N 436.364 5.054 30 20 IKED COc1ccc(-c2cc(C(=O)NC3CCN(c4ccccc4C#N)CC3)sc2C)cc1 749532502 AYTHHANYKHDZAR-UHFFFAOYSA-N 431.561 5.003 30 20 IKED O=C1/C(=C\c2cccc([N+](=O)[O-])c2)CC2(CCOCC2)C/C1=C\c1cccc([N+](=O)[O-])c1 751517287 KRWZJJNDDMVRQG-UHWBUFEVSA-N 434.448 5.130 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)[C@@H](O)c1c(Cl)cccc1Cl 752680322 WBONJWLMMVECRT-VLXJIEOASA-N 438.380 5.631 30 20 IKED Cc1nn(-c2ccncc2)cc1CNc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 753571467 SQMQGBDGGWOWAL-UHFFFAOYSA-N 429.911 5.292 30 20 IKED C=C(C)[C@@H](CC(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1)OCC 756471589 JLRITWYXCSZLFH-HXUWFJFHSA-N 430.570 5.167 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@H](c1ccc(Br)cc1)C1CCC1 761446043 KNYDIDCNKIULSE-NRFANRHFSA-N 443.341 5.055 30 20 IKED N#C[C@H](C(=O)Cc1ccc(OCCOc2ccccc2)cc1)c1nc2cc(F)ccc2s1 765939582 SIXPEIZTHUMBFF-OAQYLSRUSA-N 446.503 5.312 30 20 IKED COc1cc(C#N)ccc1NC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12 766646148 UZTAACJCICCQTD-UHFFFAOYSA-N 439.471 5.052 30 20 IKED C#CCCN(CC(F)(F)F)C(=O)CCc1c(-c2ccc(OC)cc2)[nH]c2ccccc12 767204336 OTXQPKGEFXYKKP-UHFFFAOYSA-N 428.454 5.190 30 20 IKED Cc1ccc([C@](O)(CC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C(F)(F)F)o1 773357157 SYPJANAKDFBEFG-OAQYLSRUSA-N 430.382 5.031 30 20 IKED C=CCc1cc(CNCc2nc3ccc(Br)cc3s2)cc(OC)c1OC 774992433 QQKCVNPOFGBURQ-UHFFFAOYSA-N 433.371 5.094 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(C#N)c(F)c2)cs1)c1ccc(F)cc1F 776726383 IXGDAPASGLZLPK-FNORWQNLSA-N 427.407 5.013 30 20 IKED CC(C)Oc1cccc([C@@H](C)OC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 781674393 PLQYDTJRYDHRNE-QGZVFWFLSA-N 449.507 5.114 30 20 IKED O=C1/C(=C/c2ccc3cnccc3c2)CN(CC2CC2)C/C1=C\c1ccc2cnccc2c1 782330435 ZDWDYJJGGORDLR-OCHFTUDZSA-N 431.539 5.545 30 20 IKED CC(C)=CC(=O)NCc1ccc(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 782485070 DRVHRFQALVPDOT-FQEVSTJZSA-N 437.543 5.299 30 20 IKED CC(C)c1nc(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c2ccccc2n1 783453456 SSTOSZGXRSHVHB-SFHVURJKSA-N 444.585 5.845 30 20 IKED N#C[C@@H](C(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1)c1nc2ccccc2n1C(F)F 784491236 AULAWMHEZGCVLY-HNNXBMFYSA-N 449.379 5.529 30 20 IKED Cc1nc(-c2ccccc2F)sc1C(=O)/C=C/c1cn(CCC#N)nc1-c1ccncc1 788356590 UDIYGFVCOZIAFJ-BQYQJAHWSA-N 443.507 5.326 30 20 IKED O=C(COc1ccc(C(=O)/C=C\c2cnc(-c3ccco3)s2)cc1)Nc1ccccc1 789129690 IKDBJEYYESYEIA-SEYXRHQNSA-N 430.485 5.317 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 789452631 UUDDZYFHVIKIDQ-GHTZIAJQSA-N 429.605 5.696 30 20 IKED CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)OCc1nnc(-c2cccc(C#N)c2)o1 791577797 QRKDTMPAXYEFGS-UHFFFAOYSA-N 446.290 5.063 30 20 IKED CC[C@@](C)(C#N)C(=O)Nc1ccc(-c2ccc(NC(=O)[C@@](C)(C#N)CC)c(C)c2)cc1C 796795328 KXZZPGMBKHSGEY-WMPKNSHKSA-N 430.552 5.727 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cc3c(C)nn(C)c3s2)cs1 806577449 QVUNBBWQOVUKMU-TWGQIWQCSA-N 440.525 5.120 30 20 IKED O=C(Cc1ccc(F)cn1)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 807222146 KDHBNWMKFRXWJI-CQSZACIVSA-N 448.260 5.221 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)s1 813446715 IGZNNSYTFYETDR-CQSZACIVSA-N 439.459 5.133 30 20 IKED O=C(C1CCN(c2nc3ccccc3s2)CC1)N(O)Cc1cc(Cl)cc(Cl)c1 900096073 PYNINUDYRDSBOJ-UHFFFAOYSA-N 436.364 5.238 30 20 IKED CCNC(=O)COc1ccc(/C=C\C(=O)c2ccc(SC3CCCC3)cc2)cc1OC 914703696 XGDPEJCPPRABAZ-ZSOIEALJSA-N 439.577 5.141 30 20 IKED C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915101031 BDNPDZKQNSPLSQ-SJCJKPOMSA-N 443.937 5.729 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1 915351820 HADHUOIVRVCJPC-RUZDIDTESA-N 444.966 5.345 30 20 IKED CCOc1cc(C=Nn2c(C)nnc2S)ccc1OCc1c(Cl)cccc1Cl 916304238 FXKGBDVALFJZJH-UHFFFAOYSA-N 437.352 5.042 30 20 IKED CC(=NNc1ncc(Cl)cc1Cl)c1ccc(OCC(=O)Nc2ccccc2)cc1 916316869 NZPSPTAUSUXHCY-UHFFFAOYSA-N 429.307 5.242 30 20 IKED N#C[C@@H](C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2s1 916846197 LCLRBFFENKGDDV-GJBLVYBDSA-N 440.368 6.224 30 20 IKED CC(C)CCOc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 916888052 TZTRTCKPFFOYRA-LJQANCHMSA-N 432.492 5.387 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)c1 916896781 CULOUDOGJXZMDX-QGZVFWFLSA-N 443.450 5.407 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(SCc2ccccc2)cc1 916904711 IBQQGSWTYBDPPQ-XMMPIXPASA-N 442.584 6.065 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)CCCCc2ccc(Br)cc2)cc1 916912665 ILURNXCAPJHMQC-HXUWFJFHSA-N 427.342 5.072 30 20 IKED CCCCc1oc2ccccc2c1/C=C/C(=O)[C@H](C#N)C(=O)Nc1ccc(OC)c(OC)c1 916935598 TVPUFQXXBUGTHU-SJFMBGHLSA-N 446.503 5.153 30 20 IKED CCN(CC)c1ccc(C=Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)c(O)c1 920942160 OQRYGDDXBSOBDY-UHFFFAOYSA-N 447.535 5.259 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccccc4N4CCCCC4)CCC3)cc2)C1 1785810413 REHCGLHWNMPQMZ-UHFFFAOYSA-N 443.591 5.391 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cn(C(C)C)cc3C(F)(F)F)cc2)CCC1 1788728512 YWEWZIGJJHPIDK-UHFFFAOYSA-N 433.474 5.412 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4cnccc4n3)cc2)CCC1 1788962426 COZTXOCPYYKYCR-QFIPXVFZSA-N 440.547 5.146 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc[nH]c4nccc3-4)CCC2)cc1 1789452093 ZVAMJXMXWBGGTE-FQEVSTJZSA-N 428.536 5.031 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccc(F)cc3)cc2)CCC1 1790152465 YQSZACRVWORLPU-UHFFFAOYSA-N 429.495 5.212 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(Cl)c3)cc2)CCC1 1790611215 GXTYZPMDZGEAHI-UHFFFAOYSA-N 426.944 5.451 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc(C(F)(F)F)n3)CCC2)cc1 1791729075 RXACITICCCFDGM-UHFFFAOYSA-N 443.469 5.042 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](c1ccc(Cl)cc1)C(C)C 1793222992 APOSTBAJIHDFFT-HUUMMWPTSA-N 443.031 5.486 30 20 IKED Cc1ccsc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1816350893 GXJDIUICEOPUHQ-JXFKEZNVSA-N 447.564 5.026 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)c2cccs2)n[nH]1 1822706540 WUWQNYNOPPMSQI-SCTDSRPQSA-N 426.586 5.035 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2scnc2C2CC2)CC1 1828822531 IOQZPHNPLHCQEU-NHCUHLMSSA-N 441.641 5.022 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sccc2OCC)CC1 1828823299 DOXBJKNJKQUWAP-NHCUHLMSSA-N 444.641 5.149 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@]2(F)CCCC=C2F)CC1 1829069726 CCLDCAULSKLTQT-NBGIEHNGSA-N 436.587 5.344 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCC3CCC3)CC2)c1 1832629484 RZBINHXGCGUPHG-CJFMBICVSA-N 435.612 5.127 30 20 IKED C=CCN/C(S)=C(\C(=O)c1ccc(C(C)C)cc1)[n+]1ccc(Cc2ccccc2)cc1 22687820 OONLADXHNPGPFB-UHFFFAOYSA-O 429.609 5.403 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nnc1C1CC1 35767151 HQQBICNRGVABKC-RYUDHWBXSA-N 425.385 5.006 30 20 IKED Cc1ccc([C@@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)N(C)C)cc1 65414426 WYJCICLSGNUKAB-AREMUKBSSA-N 442.563 5.065 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)c1cccc([N+](=O)[O-])c1 302768445 SEXZGBMCDSMYFF-AWEZNQCLSA-N 430.917 5.458 30 20 IKED CCOc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1OC 303129717 BRSSPOOBIUWULW-UHFFFAOYSA-N 436.895 5.450 30 20 IKED N#CCCCOc1cccc(NC(=O)c2ccc(Br)cc2Br)c1 322672119 AZNTYQQUQUVVSU-UHFFFAOYSA-N 438.119 5.146 30 20 IKED CCCn1c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccc(Cl)cc1 409813230 PXSYUPAJVPXHFA-UHFFFAOYSA-N 446.363 5.264 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3ccc(OC)cc3)no2)nnc1-c1cccs1 428331164 FDKLORPHQNTUEL-CYBMUJFWSA-N 425.539 5.105 30 20 IKED COC(=O)[C@@H](Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1cccc(C#N)c1 434868895 MWGHCDGZATWTDU-FQEVSTJZSA-N 445.372 5.230 30 20 IKED Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 438071787 HTMJJIVVELHYTL-UNMCSNQZSA-N 437.609 5.645 30 20 IKED C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C[C@H](c2ccc(F)cc2)O1 438659178 DXELBYIFEOMITH-UPCLLVRISA-N 449.457 5.623 30 20 IKED COCCc1nc2cc(NC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)ccc2o1 440390566 WWZFONJTYHGPCL-UHFFFAOYSA-N 428.448 5.325 30 20 IKED CC(C)Oc1ccc(NC(=O)C(=O)Nc2cccc(CSC3CCCC3)c2)cc1C#N 441057474 QOONLHFGCMXCCU-UHFFFAOYSA-N 437.565 5.098 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@@H]2CC(=O)c2cccs2)c1 443667355 HMGQBWAWNNLYRU-OAQYLSRUSA-N 430.529 5.076 30 20 IKED CCO[C@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1 444845222 FMQJTNCFYPHGFP-RUZDIDTESA-N 429.520 5.231 30 20 IKED COc1cc(C)c(Br)cc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 462853978 RQGDQZGXXPYXTR-VQIMIIECSA-N 428.330 5.070 30 20 IKED O=C(COc1cccc(C(F)(F)F)c1)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 464728473 NQUPDSPZEPPVRD-UHFFFAOYSA-N 447.310 5.067 30 20 IKED COc1ccc(C(C)(C)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1OC 466296180 IYHIBLLTUOUOQO-UHFFFAOYSA-N 430.504 5.071 30 20 IKED Cc1ccc(-c2nc(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)co2)cc1 466793200 ZJXUUQUQAXBLOV-UHFFFAOYSA-N 438.487 5.944 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)cc1 468632411 OUTSBSVCDCRQMF-JOCHJYFZSA-N 449.913 5.125 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCC[C@H]3C[C@@H]3C[C@H]4CC[C@H]3C4)ccc21 470546089 JXFNDEYGZQSOFW-YDWJEQILSA-N 434.584 5.092 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(Cl)cc1-c1ccc(Cl)cc1 471399724 XSRBJTZWKBOMJX-UHFFFAOYSA-N 425.319 6.003 30 20 IKED Cc1ccc(-c2cccnc2)cc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 477520314 BSVMVXGWBMIADQ-UHFFFAOYSA-N 435.552 6.473 30 20 IKED Cc1sc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)nc1-c1ccc(Cl)cc1 479213448 VAAHLRHLYKSBDX-ZIAGYGMSSA-N 425.941 5.288 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1nc(-c2cc3ccccc3o2)cs1 480559530 WEJCWUZVLMNWIC-HNNXBMFYSA-N 448.573 6.130 30 20 IKED CCCCN(C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1)[C@@H](CC)c1ccccc1 481029823 CATLZIMMOVSCDH-AVRDEDQJSA-N 427.570 5.158 30 20 IKED CO[C@H](C)c1nc(C)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1 486755243 OSZJFTSPRYJWFF-KDOFPFPSSA-N 425.941 5.720 30 20 IKED C=CC[C@@H](C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC)c1ccccc1 487596470 WJCKEIYQFRHTJA-HXUWFJFHSA-N 430.504 5.255 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)N(C)[C@@H](C)c3ccc(Cl)cc3)o2)cc1 489785643 AKFVWYACLSHNSP-HNNXBMFYSA-N 443.956 5.267 30 20 IKED N#Cc1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c(Cl)c1 494577270 CMJPSVZHLPAADS-OAQYLSRUSA-N 438.314 5.365 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)cc2)cc1 498280557 DABPGCMSNLQCTQ-UHFFFAOYSA-N 434.517 5.117 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N[C@@H](c3cccc(F)c3)c3ccccn3)s2)cc1 498508653 IZDSHRRKSATWFQ-QFIPXVFZSA-N 443.507 5.051 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 499387766 CEXUVNGSMJZNKQ-VQTJNVASSA-N 448.320 5.559 30 20 IKED N#C[C@@H](C(=O)c1cccc(OCc2cccnc2)c1)c1nc(-c2c(F)cccc2F)cs1 503419154 MPKVFTHYSPSVLR-SFHVURJKSA-N 447.466 5.552 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)NCc3ccc(F)cc3)n2)o1 504571132 RHLOVQJFOHDUPB-UHFFFAOYSA-N 449.429 5.088 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3csc(-c4ccc(Cl)s4)n3)CC2)cc1 504741357 KNQSKAZEABHZKN-UHFFFAOYSA-N 429.954 5.080 30 20 IKED Cc1ccc(-n2nc(C)c(CC(=O)Nc3nc(C)c(SCC#N)s3)c2C)cc1Cl 504837447 SDHZBQHUFIPUCF-UHFFFAOYSA-N 446.001 5.013 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCOc3c(Cl)cccc32)cc1 507892823 WVEVFJQPQXINIE-NRFANRHFSA-N 434.948 5.758 30 20 IKED CCN(C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)[C@@H](C)c1ccc(C#N)cc1 509564573 ONSFZYKSWBWITE-KRWDZBQOSA-N 427.533 5.091 30 20 IKED C[C@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1Cl 510236193 AFDGRIVQMJKAHG-LBPRGKRZSA-N 429.958 5.238 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)CSc1ncnc2scc(-c3ccccc3)c12 510266738 CUBLPYKFHSNPNN-UHFFFAOYSA-N 446.557 5.359 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1ccc(Br)s1 510498391 CEQLZDGNRCINOP-UHFFFAOYSA-N 427.323 5.664 30 20 IKED CC(C)n1c([C@@H]2CCCN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)C2)nc2ccccc21 512686899 KJXLSVUPJGGXFB-LJQANCHMSA-N 432.543 5.312 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)Cc1csc(-c2ccc(Cl)s2)n1 512950946 JJMUVOLSILAZOL-UHFFFAOYSA-N 439.949 5.766 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1 513536236 HDKFVAGPHQSKCA-UHFFFAOYSA-N 445.972 5.391 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1OC1CCCC1 515540430 STBURGDUSFOVQX-MRXNPFEDSA-N 426.925 5.770 30 20 IKED N#Cc1c(NC(=O)CCc2nnc(-c3ccccc3)o2)sc2c1-c1ccccc1CC2 515626359 AGMGCYIEAIWGEX-UHFFFAOYSA-N 426.501 5.007 30 20 IKED CC(=O)N(c1ccccc1)c1nc(Cn2cc(C#N)c(=O)c3cc(C)cc(Cl)c32)cs1 516788404 CNHYTXOTNUGYDW-UHFFFAOYSA-N 448.935 5.024 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 518682257 XYFNQTUTBGZAFM-BTYIYWSLSA-N 442.009 6.564 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCCN3C(=O)c3cccs3)cc2)cc1 519028235 FIAMOBPFFBZPGJ-OAQYLSRUSA-N 431.517 5.045 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 519515616 NZWGXDLMNYNXJB-INIZCTEOSA-N 441.512 5.134 30 20 IKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 520266070 CNTITQTVXRGXJV-DNVCBOLYSA-N 448.464 5.088 30 20 IKED CC(C)CC(=O)Nc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 520357233 HKHYKUQRMVOGSI-UHFFFAOYSA-N 443.572 6.087 30 20 IKED CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1sc2ccc(C#N)cc2c1C 520623130 CDTMGIYGZJYPFX-UHFFFAOYSA-N 447.560 5.359 30 20 IKED CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 524440013 UTWZGIOXUTUYLR-HSZRJFAPSA-N 431.561 6.049 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)N[C@@H](CCC#N)c1ccccc1 539050180 FNLTTWCILLLOSP-QRWLVFNGSA-N 440.410 6.577 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCc1cc2c(cc1Br)OCCCO2 540737611 NIPYWVSQTBHHAH-AWEZNQCLSA-N 433.371 5.617 30 20 IKED CN(Cc1ccccc1NC(=O)c1ccc(Cl)c(C#N)c1)C(=O)c1cc2ccccc2o1 541624389 RATZPKNKNIUSSO-UHFFFAOYSA-N 443.890 5.482 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)c(C(F)(F)F)c1 543061139 SLVWTURJAOTLDN-CQSZACIVSA-N 444.482 5.906 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 549689974 FHYJVJNFCQZGPV-NHTMILBNSA-N 432.543 5.232 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 553450482 DALIIQFDLGORME-UHFFFAOYSA-N 428.536 5.133 30 20 IKED CC(C)Cn1ncc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C1CC1 554136515 ZEQPVTHPBDLGFF-NRFANRHFSA-N 447.970 6.369 30 20 IKED C=CCOc1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 554172376 NUIVQYYIGAUWQI-UHFFFAOYSA-N 427.504 5.218 30 20 IKED CC(C)NC(=O)Nc1cccc(-c2noc(-c3cn(CCCC#N)c4ccccc34)n2)c1 554800195 GVYYUGKYCCCAHO-UHFFFAOYSA-N 428.496 5.192 30 20 IKED Cc1cccc2sc(N(Cc3ccccc3)C(=O)CN(C)Cc3cccc(C#N)c3)nc12 555430386 YVYSTKGQGGWZTP-UHFFFAOYSA-N 440.572 5.142 30 20 IKED C[C@@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)cc1 556571077 RNGBNADGNNVUQO-GOSISDBHSA-N 441.556 5.156 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)[C@@]3(Cc4ccccc4)C[C@H]4CC[C@H]3C4)CC2)c(F)c1 557663486 TUXZXDXYCDHYDM-CLHVYKLBSA-N 432.539 5.116 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)c1C 558470118 FXFDTXDAOVBWSG-QZTJIDSGSA-N 425.319 5.410 30 20 IKED N#Cc1cc(C(=O)Nc2nc(-c3ccccc3C(F)(F)F)cs2)cnc1C(F)(F)F 559907813 PIRSPKDIQBBOMW-UHFFFAOYSA-N 442.344 5.367 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)cc1)C1CC1 580114561 ZZUXENDYHAECTB-UHFFFAOYSA-N 425.488 5.427 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(Cc4ccc(F)cc4)n3)n2)cc1 589019488 UDDZPPFFJRYGOH-GOSISDBHSA-N 449.532 5.495 30 20 IKED Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)s1 603601400 YVGOALZKKCMCKR-UHFFFAOYSA-N 426.501 5.738 30 20 IKED Cc1ccc(-n2nc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c3c2CCC3)c(C)c1 609377472 VZIQZJILQAOSBV-KRWDZBQOSA-N 430.577 5.482 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 609399227 HYDQAQXEAFEMHH-QGZVFWFLSA-N 431.005 5.187 30 20 IKED CC(C)Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C2CC2)cc1 609406244 DEIDPWMBCJCICK-HSZRJFAPSA-N 435.593 5.097 30 20 IKED Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609437438 WPPCXTVJXOZWTB-QFIPXVFZSA-N 443.503 5.020 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N(Cc3c(F)cccc3F)C3CCCC3)cc2)nc1 609504779 FVEDDDWZSXAXJV-UHFFFAOYSA-N 433.458 5.609 30 20 IKED CN(Cc1ccccc1)Cc1cccc(C(=O)N[C@@H](C#N)c2ccccc2Br)c1 609590467 BPAXUHFERJZRDU-QHCPKHFHSA-N 448.364 5.076 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)c3ccn(-c4cccc(C(F)(F)F)c4)n3)c2C#N)C1 609965939 VSGBHGDWNXLBQF-LBPRGKRZSA-N 430.455 5.201 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N3CCC(Oc4ccc(F)cc4F)CC3)c2)cc1 609991238 NDJWEOUZMRMXKT-UHFFFAOYSA-N 433.458 5.264 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)C1(C#N)CCCCC1 610051340 HSVFTXHTHCIYCZ-CQSZACIVSA-N 432.387 5.532 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)o1 610155518 CZDUNRWOOUJXPC-LJQANCHMSA-N 434.801 5.417 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1 610598232 YOQKITJACWRXJN-GASCZTMLSA-N 446.322 5.302 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NCc1ccc(C#N)c(Cl)c1 619767227 VCYPFOZYUSXIRU-UHFFFAOYSA-N 444.343 5.417 30 20 IKED N#C[C@@H](C(=O)c1cc(F)c(Br)c(Cl)c1)c1nc2cc(F)ccc2s1 671764145 AUUVEWJPJXQSFK-VIFPVBQESA-N 427.657 5.480 30 20 IKED N#C[C@@H](C(=O)c1sc(-c2ccccc2)nc1C(F)F)c1nc2cc(F)ccc2s1 677791720 RHAISMXOPFSNFE-LBPRGKRZSA-N 429.448 5.987 30 20 IKED COc1cc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)ccc1NC(=O)OC(C)(C)C 727589925 QHQCZQLTTZQSOY-UHFFFAOYSA-N 436.512 5.110 30 20 IKED C[C@](Cc1nc2ccccc2s1)(C(=O)NCc1ccc(OCC#N)cc1)c1ccccc1 727677849 USVZASMMGSDVFY-AREMUKBSSA-N 441.556 5.015 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)OCc3csc(Cc4ccccc4)n3)o2)cc1 728108965 JHOIXYNOADNPKG-UHFFFAOYSA-N 430.485 5.135 30 20 IKED Cc1nn(C)c2nc(Cl)c(CNc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc12 728201311 DSCFSYGNBLPWEK-UHFFFAOYSA-N 435.890 5.132 30 20 IKED C=CCOc1ccc(/C=C(/C(=O)OCC)c2nc(O)c3c(C)c(C)sc3n2)cc1Cl 728695660 BTESIOVIRKAUKW-XNTDXEJSSA-N 444.940 5.336 30 20 IKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(CCCCC#N)C2=O)cc1 728776771 UMUALCCQZZVITK-QFIPXVFZSA-N 448.592 5.266 30 20 IKED N#C[C@@H](C(=O)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1)c1nc2ccccc2o1 730399370 YMEJPVWWIVGCFA-OYHNWAKOSA-N 437.282 6.131 30 20 IKED COc1cc(C)c(C(=O)/C=C/c2ccc(OCc3cc(C)c(C(=O)O)o3)cc2)cc1OC 731317540 AIJYLNLKZXTRCD-JXMROGBWSA-N 436.460 5.087 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 731542237 VSVUZTCNDPJQMX-ZHRRBRCNSA-N 444.000 5.569 30 20 IKED CCCN(C(=O)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1)[C@H](C)c1cc2ccccc2o1 733653788 MBOKQGWVQSLIRU-WIYYLYMNSA-N 449.551 5.805 30 20 IKED CCOc1cc(/C=C/C(=O)c2sccc2C)ccc1OCC(=O)N(C(C)C)C(C)C 733749607 PYBFKIUMNGNFDT-CSKARUKUSA-N 429.582 5.376 30 20 IKED CN(Cc1ccccc1NC(=O)/C=C\c1ccccc1C#N)C(=O)c1cc2ccccc2o1 736500344 GVOCIMFXJPSSTL-PFONDFGASA-N 435.483 5.229 30 20 IKED C[C@](O)(CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccsc1 741060328 CGCHAFRBEHVMIP-KNQAVFIVSA-N 425.941 5.086 30 20 IKED CN(CC1(c2ccc(Br)cc2)CC1)C(=S)Nc1ccc(C#N)c(Cl)c1 741166894 CZRLMKGHWJDQKI-UHFFFAOYSA-N 434.790 5.335 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)N[C@@H]1CCOc2ccccc21 741486726 KSACLSMTGFAHOR-JOCHJYFZSA-N 431.536 5.411 30 20 IKED CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccc(C#N)o2)NC(=S)N1c1ccccc1 743738098 AMEOMSQIYCKLDW-NRFANRHFSA-N 448.935 5.153 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1cc(C2CC2)nc2ccc(F)cc12 745592886 LQNDLRKNBXCIHU-OAHLLOKOSA-N 438.524 5.073 30 20 IKED N#Cc1cc(COC(=O)Cc2csc(-c3cccc(Oc4ccccc4)c3)n2)ccn1 746982881 CWFIKNAGLISUMU-UHFFFAOYSA-N 427.485 5.155 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3nc(O)c4c(C)c(C)sc4n3)n2)cc1 750395450 OQJCJQKEVIOPDD-INIZCTEOSA-N 448.573 5.255 30 20 IKED O=C(CCc1nnc(-c2cc3ccccc3o2)o1)OCC#Cc1ccc(C(F)(F)F)cc1 750884183 PBOYIRZIANPZRJ-UHFFFAOYSA-N 440.377 5.029 30 20 IKED COc1cc(C=NOc2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OCc1ccccc1 754712206 GCQVCXWWKKMTAB-UHFFFAOYSA-N 446.381 5.614 30 20 IKED COc1ccc(C(C)=NNc2nc(C(F)(F)F)cs2)cc1CSc1ncccn1 755903687 IUQLDMKONATACE-UHFFFAOYSA-N 439.488 5.089 30 20 IKED C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1C#N)C(=O)Nc1cc(Cl)ccc1Cl 758119166 GUFJRLBMGJFXFJ-SECBINFHSA-N 431.197 5.068 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)c3ccccc3OCc3ccc(Cl)cc3)CCO2)c1 762300041 OTBRNBJBNSKGFR-XMMPIXPASA-N 432.907 5.004 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)O[C@H]2CCO[C@@H](C3CCOCC3)C2)cc1Cl 763126724 VACKVTGCCNODBZ-WMZHIEFXSA-N 441.911 5.135 30 20 IKED CCS[C@H](C)c1noc(CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)n1 764614972 IUAHEACWYBAWER-CQSZACIVSA-N 428.945 5.600 30 20 IKED C/C(=C\C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C1CC1 764755292 VBRCGHTUYXUQQZ-GQCTYLIASA-N 440.224 5.328 30 20 IKED C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 765945702 MMPHQSODBROPHC-BVZFJXPGSA-N 447.510 5.104 30 20 IKED Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 768137261 LLUQTZWGHIZQGS-QHCPKHFHSA-N 441.462 5.363 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C)OC(=O)c1cn(CCCC#N)c2ccccc12 769543562 IJNUXUUSMWHPMF-SFHVURJKSA-N 431.536 5.254 30 20 IKED CC(=O)N(c1nc(/C=C2/CCc3c(C)ccc(C)c3C2=O)cs1)c1ccc(F)cc1F 769746875 PFQDEONMKRLPLZ-YBEGLDIGSA-N 438.499 5.935 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCCC[C@H]2c2cccc(Cl)c2)ccc1OC 770613204 WBCQYBAYPXDBEX-RTWAWAEBSA-N 441.959 5.466 30 20 IKED CCCCCCCCn1nc(C)c(S(=O)(=O)Nc2ccc(-c3nnc(C)o3)cc2)c1C 775280008 BLZFWGQFZZVKKB-UHFFFAOYSA-N 445.589 5.020 30 20 IKED N#Cc1cc2c(nc1NC(=O)c1sc3cc(Br)ccc3c1Cl)CCCC2 776350175 KUMWODRBWHFENP-UHFFFAOYSA-N 446.757 5.715 30 20 IKED CC(=NNc1nc2cc(C(F)(F)F)ccc2s1)c1cc2c(s1)SCC(=O)N2 778541725 PHZXMCHVQZIUIS-UHFFFAOYSA-N 428.486 5.257 30 20 IKED COc1ccc([C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C(F)(F)F)cc1 780484924 HHLRICPZOSUIBI-VXKWHMMOSA-N 439.437 5.776 30 20 IKED CC(C)CN(Cc1ccccc1Br)C(=O)Nc1ccccc1O[C@H](C)C#N 780672642 GOAZUUQYIPVWBH-MRXNPFEDSA-N 430.346 5.430 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)OCc2nnc(C3CC3)n2C2CC2)cc1 783098986 PPLXWZACBYNCFT-UHFFFAOYSA-N 430.533 5.011 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=S)Nc2ccc(Br)cc2)cc1 783732615 RZDJPSSYDBQONZ-UHFFFAOYSA-N 430.371 5.072 30 20 IKED C[C@H](C#N)Oc1ccc(CN[C@@H](Cc2ccccn2)c2ccc(Br)cc2)cc1 788968942 DEXRSAJCKHTMSR-HXOBKFHXSA-N 436.353 5.209 30 20 IKED CCOc1ccccc1NC(=O)[C@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1 796040483 HWIDWCRPRMDVIX-XMMPIXPASA-N 442.515 5.423 30 20 IKED C[C@@H](Cc1cncc2ccccc12)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 805853207 HTAGXFAQOBUJCQ-VBKZILBWSA-N 439.487 5.076 30 20 IKED Cc1nn(C(F)F)c(C)c1CC(=O)O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F 809127801 LMVJMTSFKDODRS-AWEZNQCLSA-N 430.295 5.303 30 20 IKED CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)N[C@@H](CCCC#N)c2ccccc2)C1 814638907 VKODFYQEOOEJHL-QFIPXVFZSA-N 448.567 5.536 30 20 IKED CON=Cc1ccc(C(=O)O[C@H](C)C(=O)N2c3ccccc3Sc3ccccc32)cc1 853734232 WWZIENXEKABFJN-MRXNPFEDSA-N 432.501 5.042 30 20 IKED Cc1c(-c2nc(-c3ccc(-n4cnc5ccccc54)nc3)no2)sc2ccc(C#N)cc12 904489229 NRBAYDAJNLGYKB-UHFFFAOYSA-N 434.484 5.532 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915086048 QZRZFTKCQQMOSZ-XMMPIXPASA-N 441.531 5.870 30 20 IKED N#C[C@@H](C(=O)C1(c2ccc(Br)cc2)CC1)c1nc2ccccc2n1C(F)F 915105042 YIIYHCROIBZVDL-AWEZNQCLSA-N 430.252 5.102 30 20 IKED C#CCOc1ccc(Br)cc1CNCc1cccc(COCc2ccco2)c1 915229717 OBMOVDWXRKIRMQ-UHFFFAOYSA-N 440.337 5.061 30 20 IKED O=C(Nc1ccccc1SC(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 915318650 ZHRRFJKLHIXQAC-MYJAWHEDSA-N 436.368 6.032 30 20 IKED CCN(CC)C(=O)c1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915353727 QIAYHHUFUDEXDT-VWLOTQADSA-N 440.547 5.146 30 20 IKED Cc1nc(NC(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)sc1SCC#N 916089474 HBSCSVFLLUXLOE-LJQANCHMSA-N 433.562 5.013 30 20 IKED CCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(OC)c1 916205336 FXPMDUPTMOYHPY-OAQYLSRUSA-N 439.581 5.072 30 20 IKED N#C[C@@H](C(=O)Cc1ccc(-c2ccccc2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 916653340 MJYYNXNXYDAHNI-FQEVSTJZSA-N 439.540 5.362 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CC(c1ccccc1)c1ccccc1 916901935 TVJSGRUZKADPAI-NRFANRHFSA-N 446.934 5.527 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccccc3Cl)o2)cc1Cl 916939422 RNOIPTQMWODMPZ-CQSZACIVSA-N 429.259 5.223 30 20 IKED C[C@H](Oc1cccc(F)c1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996677 NQEYQSFWIQAAED-ZBEGNZNMSA-N 435.307 5.900 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc2c1O[C@@H](C)C2 917043720 NYABFXFQKORGAJ-HZMBPMFUSA-N 432.423 5.137 30 20 IKED Cc1ccc(/C=C2/CC3(C/C(=C\c4ccc(C)s4)C2=O)C(=O)Nc2ccccc23)s1 917517574 ITKFWOBSNZSZAX-MJZABRMRSA-N 431.582 6.146 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 920102422 CXCVKRBWVXNNBS-XJKSGUPXSA-N 436.924 5.369 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ccccc2Cl)cs1 920357345 FCBWDBBYCFICSL-UHFFFAOYSA-N 438.862 5.946 30 20 IKED CSc1nc2ccc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)cc2s1 920849604 JDNDVOCDOXFYKA-UHFFFAOYSA-N 447.589 5.665 30 20 IKED CSc1nc(O)c(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1C#N 1521123180 RMUIHIJTVGDIMQ-UHFFFAOYSA-N 437.333 5.063 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ncccc45)CCC3)cc2)c1 1790257034 BXXIHFUMVOTUKF-UHFFFAOYSA-N 446.510 5.168 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)cc2)CCC1 1790692196 MONRQNMJZLTRTE-UHFFFAOYSA-N 439.559 5.255 30 20 IKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnc(Cl)c(Cl)c3)CCC2)cc1 1791250582 VVXHQODMXKZNIS-CQSZACIVSA-N 432.351 5.348 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4cnccc4c3)CCC2)cc1 1791727578 ZMDYWTVMMJAZGP-UHFFFAOYSA-N 425.532 5.176 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1ccc(F)cc1 1799434504 YSXMXRXCTJSPAG-KOUNCHBCSA-N 449.570 5.132 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccccc3Cl)C2)CC1 1809226414 NAPAMCPBWHXHNV-UHFFFAOYSA-N 431.020 5.106 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C3CC3)cc2)[C@@H]1c1cccnc1 1810503599 RQLFMOQMQNRUKO-JWQCQUIFSA-N 445.607 5.271 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccnc(C(F)F)c2)n[nH]1 1816081971 DEPNFZDKDPDWQG-SFHVURJKSA-N 445.514 5.041 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2C(C)(C)C)[nH]n1 1819304546 FCVNLLQXHMUMLS-RXVVDRJESA-N 449.599 5.177 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccccc2Cl)[nH]n1 1819553460 IKGTXYJOEUTFJR-FQEVSTJZSA-N 442.991 5.290 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc[nH]c3cc2F)n[nH]1 1820202293 GTPOROPEBDLHCX-VGOFRKELSA-N 449.530 5.104 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](c3ccccc3)[C@@H](C)CC)CC2)C1 1826420171 ZVJUTEOBGGDIDH-OUIFVKKZSA-N 436.640 5.402 30 20 IKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 1828461076 WWFIXGNMKSHHQF-DSYNPFFXSA-N 440.672 5.406 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2oc3ccccc3c2C)CC1 1828828231 FTRYLCCWSFNDSX-UPVQGACJSA-N 448.607 5.743 30 20 IKED Cc1ccc[n+](/C(C(=O)c2cc(C)sc2C)=C(\S)Nc2cccc(C(F)(F)F)c2)c1 11153061 FFFOJEQPQFXGMK-UHFFFAOYSA-O 449.543 6.031 30 20 IKED Cc1sc2ncnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)c2c1C 12472576 LWVSZJJADSIEEU-UHFFFAOYSA-N 439.610 5.444 30 20 IKED O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(N2CCCC2=O)cc1 14753712 SQKRVGBQBXZOPY-XNTDXEJSSA-N 444.918 5.615 30 20 IKED C=CCN(C(=O)CSC1=NCCS1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 26805199 OWFNUIVHEQSISI-UHFFFAOYSA-N 444.434 5.472 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)nnc1-c1ccccc1OC 36807309 KBNIVYWRCMXXHP-DUXBZUBYSA-N 437.609 5.406 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)c1cc2cc(Br)cc(Br)c2o1 64388647 BXRBQSZNKDUFHS-UHFFFAOYSA-N 448.114 5.102 30 20 IKED CC(C)C(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 64715209 RVPHVYRUYXFZEC-HNNXBMFYSA-N 425.460 5.173 30 20 IKED C=CCn1c(SCc2ncc(-c3ccc(OC)cc3)o2)nnc1-c1ccccc1OC 65279570 CIXGAXCISKOHOR-UHFFFAOYSA-N 434.521 5.096 30 20 IKED COc1ccc(Cc2nnc(S[C@H](C)C(=O)/C=C3\N(C)c4ccccc4C3(C)C)o2)cc1 214338834 RKLIKKCDGGYSAN-GRVPHDJPSA-N 449.576 5.030 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 237022800 TXUHJJAHYXZNSQ-FQEVSTJZSA-N 435.455 5.497 30 20 IKED N#Cc1ccccc1COc1cccc(CNCc2ccc(Oc3cccnc3)c(F)c2)c1 237858488 ZSYBFFXXLYYQDK-UHFFFAOYSA-N 439.490 5.753 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(C(=O)N4CCCCCC4)cc3)c2)cc1 303221682 VKTOUALWGVCGDF-UHFFFAOYSA-N 439.515 5.619 30 20 IKED Cc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)c(Cl)cc12 303297461 NXTCNVAZCMCFFZ-ZDUSSCGKSA-N 442.924 5.024 30 20 IKED Cc1nc(NC(=O)[C@H](Oc2ccc(F)cc2Cl)c2ccccc2)sc1SCC#N 409815161 AFRPEQCTHJCUCC-QGZVFWFLSA-N 447.944 5.619 30 20 IKED CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 429043539 BFCLVPYDBLSODS-LCUVTVSSSA-N 445.972 5.205 30 20 IKED N#CCCn1ncc(C(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)c1-c1ccccc1 430095975 QVWFSTJXERJZSS-UHFFFAOYSA-N 432.474 5.062 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1nccn1CCCc1ccccc1 435132875 MHYKDZIKVASGSJ-IBGZPJMESA-N 433.581 5.232 30 20 IKED CN(C(=O)c1ccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cc1Cl)C1CCCCC1 436067418 GEKNDXDFNHPMPT-UHFFFAOYSA-N 435.955 5.287 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(F)c(F)cc3F)s2)c(C(F)(F)F)c1 437283038 DRTUVQOUWNCMNC-UHFFFAOYSA-N 441.356 5.294 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2coc(-c3ccccc3)n2)cc1F 438658170 AKEVRLJIDCEUTC-UHFFFAOYSA-N 428.423 5.466 30 20 IKED CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438666365 UKAGLNHKZKYUMB-UHFFFAOYSA-N 433.439 5.272 30 20 IKED CCn1ncc(NC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c1C(F)(F)F 439937590 YMEGWUOKPHSHNS-NSHDSACASA-N 432.727 5.139 30 20 IKED CCCc1c(NC(=O)c2c[nH]c3cccc(Br)c23)cnn1-c1cccc(C#N)c1 440085791 BZOCZCQIVMCACO-UHFFFAOYSA-N 448.324 5.193 30 20 IKED C=CCC[C@@H](NC(=O)N[C@@H](C)c1nnc2n1CCCCC2)c1ccc(C(F)(F)F)cc1 440817647 DHNKHOWKUYMYGO-MAUKXSAKSA-N 435.494 5.091 30 20 IKED Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 442180133 BQCPETDCPLUEPE-LBPRGKRZSA-N 426.464 5.570 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@@H]3CC(=O)c3cccs3)c2)cc1 443671103 AOHBNMRXZKXVSC-OAQYLSRUSA-N 430.529 5.076 30 20 IKED CC[C@@H](N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(C#N)cc1 447536808 QDUGWDIQKJSZQC-DNQXCXABSA-N 438.980 5.445 30 20 IKED CCc1ccc([C@H](N[C@@H](CC)c2ccc(C#N)cc2)c2cccc(S(C)(=O)=O)c2)cc1 447541962 HRNSPAAMUARXHI-UIOOFZCWSA-N 432.589 5.354 30 20 IKED C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CCCC[C@@H](COC)C1 460939360 VZBKNPVGAVTDFJ-JOCHJYFZSA-N 446.595 5.353 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)cc1 461774707 JGTQSHCTLIPWCU-CYBMUJFWSA-N 434.309 5.028 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccn(-c2ccc(F)cc2F)n1 463716338 KMAKPRXVOFHYHI-UHFFFAOYSA-N 444.441 5.162 30 20 IKED N#CCC[C@H](NC(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1)c1ccccc1 467222324 JDFSPBVRJWXZIF-VQTJNVASSA-N 430.321 5.480 30 20 IKED O=C(c1ccc2noc(-c3ccc(F)cc3)c2c1)N(CCC(F)(F)F)CC(F)(F)F 468526595 FGICNMUSIUCCRF-UHFFFAOYSA-N 434.311 5.591 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)CCc3ccc(-c4ccccc4F)o3)ccc21 469976717 XSAUMHVUSHTJLT-UHFFFAOYSA-N 445.494 5.240 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3c(F)cccc3Oc3ccccc3)C2)n1 471906108 OYQIGSITCVDBGW-LJQANCHMSA-N 430.483 5.048 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 472330055 TVMLVIIQINJHHG-JJXUHFIVSA-N 428.989 5.159 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O 475556128 OGNQURCWEQGWTB-NRFANRHFSA-N 425.960 5.461 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 475575425 ZDRGGWBLGXOVLG-OAQYLSRUSA-N 445.485 5.262 30 20 IKED Cc1c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)sc2cc(F)ccc12 478631079 NWQJTGNHRYMNTJ-UHFFFAOYSA-N 440.550 5.617 30 20 IKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 480186321 MUNGDEICEYSTIA-UQBPGWFLSA-N 441.531 5.091 30 20 IKED CC(C)(C)Oc1c(F)cc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1F 480270372 XYQWMSZJIXMSFD-UHFFFAOYSA-N 447.457 5.228 30 20 IKED CC(C)c1cc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)n(-c2ncccn2)n1 480832208 USSCYKBJYBLLNW-UHFFFAOYSA-N 440.532 5.061 30 20 IKED COc1ccc(Sc2ccc(NC(=O)N3CCN(c4ccccc4C#N)CC3)cc2)cc1 481690242 VHPXLAUQLHJPQI-UHFFFAOYSA-N 444.560 5.072 30 20 IKED C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 482259156 OUIUZIAJEOZIHL-QGZVFWFLSA-N 442.523 5.208 30 20 IKED Cc1ccc(-n2ncc(C(=O)[C@H](C#N)c3cnc4ccccc4n3)c2C2CC2)cc1Cl 483223348 BJIGPNIVSDDYRI-QGZVFWFLSA-N 427.895 5.145 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccccc1C 488900917 KRXJXZKXYUXENR-MRXNPFEDSA-N 426.973 5.521 30 20 IKED CN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 498030527 IMRMZJWXBJXUJL-DLBZAZTESA-N 441.375 5.399 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)s2)c(F)c1 501302985 PCXQHHYDFGCZMK-AWEZNQCLSA-N 435.402 5.170 30 20 IKED Cc1c(C(=O)Cn2cc(C#N)c(=O)c3cc(Br)ccc32)sc2ccccc12 502836567 WYDSYLMVMWTAEI-UHFFFAOYSA-N 437.318 5.042 30 20 IKED Cc1ccc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cc1NC(=O)c1ccccc1 505546362 FIYWWWQRCSTTMC-HXUWFJFHSA-N 438.314 5.549 30 20 IKED N#C[C@H](NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1ccc(Cl)cc1 505796699 QEMKMACHJCMHAN-NRFANRHFSA-N 432.936 5.275 30 20 IKED Cc1cccc(C)c1NC(=O)CN(CC(=O)Nc1c(C)cccc1C)CC(C)(C)CCC#N 506788033 LCVMTAJHIHOQFQ-UHFFFAOYSA-N 448.611 5.129 30 20 IKED Cc1c(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)oc2c1ccc1ccccc12 508391545 KZXJPCQKSUTCHZ-UHFFFAOYSA-N 425.488 5.281 30 20 IKED COc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c(Cl)c1 508786539 SRCLMYLDJBXOKM-UHFFFAOYSA-N 449.894 5.318 30 20 IKED Cc1ccc(CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C(C)C)s1 509563604 HLSZLKCDXZHXFR-UHFFFAOYSA-N 433.577 6.144 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCCc1ncc(-c2ccccc2)o1 510240730 MLXAJRWSFYGGQE-UHFFFAOYSA-N 437.499 6.275 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C 511550730 AOKCWHPIZBKJIB-DEOSSOPVSA-N 445.494 5.191 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)cc1 512722852 KWJVDUJXRNLGIV-HXUWFJFHSA-N 425.941 5.228 30 20 IKED O=C(Cc1csc(-c2ccc(Cl)s2)n1)NCC#Cc1cccc(C(F)(F)F)c1 512960981 FMZZCSNBBXIEKC-UHFFFAOYSA-N 440.899 5.254 30 20 IKED CC1(C(=O)Nc2ccccc2CCC(F)(F)F)CCN(c2ccc(Cl)cc2C#N)CC1 516808898 SIGUCUSOIGTUNA-UHFFFAOYSA-N 449.904 5.952 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1coc(-c2ccccc2)n1 517462026 YTOLBDFCOXSIST-UHFFFAOYSA-N 431.439 5.547 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccc(F)cc4)n3)n2)cc1 518515473 NVNPSXHKGWVRFD-KRWDZBQOSA-N 430.489 5.434 30 20 IKED CC(C)c1cc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c2cnn(C(C)C)c2n1 518850001 KJAJFKISJFAGTH-LJQANCHMSA-N 430.339 5.437 30 20 IKED C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 522456238 MTHJFJPBNXGGHD-HYBUGGRVSA-N 425.532 5.742 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1 522485469 JWHJOJMNBZMPCF-UHFFFAOYSA-N 430.460 5.414 30 20 IKED COc1cc(CS[C@H](C)C(=O)Nc2ccccc2C)ccc1OCc1cccc(C#N)c1 522646921 LVKOJZJXZLXSGJ-LJQANCHMSA-N 446.572 5.715 30 20 IKED C[C@H]1C[C@@H](N(C)C(=O)Nc2ccccc2SC[C@H](C)C#N)CCN1Cc1ccccc1 523454988 ZUMZHFBLQKCRCG-URVUXULASA-N 436.625 5.455 30 20 IKED CCN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc(OC)c(OC)c1 523880579 LQDTZITXKJYESU-UHFFFAOYSA-N 436.895 5.688 30 20 IKED Cc1cnccc1N1CCC(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 531442591 MNDHARXENHQGDE-QHCPKHFHSA-N 444.966 5.554 30 20 IKED CC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c(Cl)c1 534140474 CZPPAYDONVSJEP-UHFFFAOYSA-N 440.286 5.868 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3Cn3cnc4ccccc43)cc2)cc1 535972244 KCJKHVAHOVILGB-OAQYLSRUSA-N 437.503 5.397 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CN(C)Cc2cccc(C#N)c2)cs1 535979851 DGJGLRZMJVYXET-UHFFFAOYSA-N 444.482 5.350 30 20 IKED N#CC1(CCCSc2nnc(Nc3ccc(OC(F)(F)F)cc3)s2)CCOCC1 539670631 KULMKVQLVRZGQZ-UHFFFAOYSA-N 444.504 5.373 30 20 IKED COc1ccc([C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c2ccc(F)cc2)cc1 541441776 KIVJJFMLTSEERQ-VWLOTQADSA-N 429.495 5.170 30 20 IKED CC(=O)N1CCc2c(sc3nc(-c4ccc(C#N)c(F)c4)cc(-c4ccc(C)cc4)c23)C1 544404210 GAAUXAQPPGXCOU-UHFFFAOYSA-N 441.531 5.854 30 20 IKED Cc1nc2c(c(C(F)(F)F)n1)C[C@H](c1nc(-c3ccc(C(F)(F)F)c(F)c3)no1)CC2 545042489 LFLGKGUHSUFNBK-SNVBAGLBSA-N 446.326 5.284 30 20 IKED Cc1c(C(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)sc2ccc(C#N)cc12 550177259 QCZWXNQCGQWTEN-NRFANRHFSA-N 449.963 5.323 30 20 IKED Cc1ccc2nc(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cn2c1 551013143 RWWBCFINXCVDTJ-OAQYLSRUSA-N 429.911 5.273 30 20 IKED CC(C)(C)c1nc2ccc(NC(=O)C(=O)N[C@H](CCCC#N)c3ccccc3)cc2s1 551595293 ABOTXPVRJOHVBH-GOSISDBHSA-N 434.565 5.084 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 553320036 NREPGHVCCYSRBW-INIZCTEOSA-N 444.551 5.145 30 20 IKED C=CCOc1ccc(CNC(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc2C)cc1 554131928 LAIZBNCJJHTTJL-UHFFFAOYSA-N 430.508 5.526 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 554429343 DYZBYIYBQWCJNX-UHFFFAOYSA-N 445.519 5.141 30 20 IKED C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1csc([C@H](C)OCC)n1 555270995 OWQXSTUISNYKQO-HNNXBMFYSA-N 431.993 5.365 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(-c3ncco3)c2C)cc1C 557358936 SWQOYQOUPONQLJ-UHFFFAOYSA-N 425.492 5.296 30 20 IKED C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 564377898 JOQRWXFAHAZYKB-QFIPXVFZSA-N 441.535 5.038 30 20 IKED Cc1cc(Cl)ccc1CN1CCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 582199726 XGKRLUKBVLZVGK-KRWDZBQOSA-N 443.016 5.250 30 20 IKED CCc1cc(C#N)c(NC(=O)c2cccc(COc3ccc(CCC(C)=O)cc3)c2)s1 589322703 NLDDRANMOFGXFK-UHFFFAOYSA-N 432.545 5.535 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)cc1 591952442 VWZUAEVXZOVGFN-QFIPXVFZSA-N 438.499 5.353 30 20 IKED COc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 603690821 RECXSSRPLVZJIU-DEOSSOPVSA-N 442.519 5.903 30 20 IKED Cc1nc(CN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)c2ccc(F)cc2)cs1 603774564 AISLUCOXBSRADU-UHFFFAOYSA-N 440.569 5.108 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 603968062 JNUPCDINTFCPFU-UHFFFAOYSA-N 434.908 5.561 30 20 IKED C[C@H](Nc1cccc(OCc2cccnc2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 604045979 NEOMOSOIFSHSIC-KRWDZBQOSA-N 446.576 5.302 30 20 IKED C[C@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604153017 BARSCHIJBZVKRJ-VGOFRKELSA-N 431.923 5.154 30 20 IKED Cc1nc(-c2cccs2)c(CC(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)s1 604248682 CTSZBRXDJRFUNF-UHFFFAOYSA-N 435.496 5.185 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)c1 604338050 OBJCWHOKNJSWBV-UHFFFAOYSA-N 445.482 5.099 30 20 IKED CCCC(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 604361783 IURAATZWVKCNEO-UHFFFAOYSA-N 428.492 5.411 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccccc1SCc1ccco1 604394791 SCEHHODHFCQECX-UHFFFAOYSA-N 440.524 6.797 30 20 IKED Cc1[nH]c2ccccc2c1CCNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 608893942 FTJQFXLDZATENX-UHFFFAOYSA-N 440.522 5.442 30 20 IKED C=C(C)CN1CCC(NC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 609266627 PZXQJCNNWPNUJN-XMMPIXPASA-N 429.029 5.319 30 20 IKED C[C@H](C#N)CSc1ccccc1NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 609384728 MDMFSHJYPJHOBG-GFCCVEGCSA-N 427.879 5.661 30 20 IKED Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc12 609428634 YPPLIRFJWDJQSP-INIZCTEOSA-N 446.601 6.101 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCS[C@@H](c4ccccc4)C3)c2)cc1 609807535 YVULJKJTXQKZOF-RUZDIDTESA-N 443.572 5.654 30 20 IKED CN1CCC[C@H](CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@H]1c1cccs1 610180859 STMQKPWTEWPBNK-BWKNWUBXSA-N 445.588 5.012 30 20 IKED CN1CCC[C@@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[C@@H]1c1cccs1 610321265 OCVJGSDFMQEWBE-FDDCHVKYSA-N 447.564 5.012 30 20 IKED Cc1ccc(-c2cc(-c3nnc(SCc4ccnc(C#N)c4)o3)c3ccccc3n2)cc1 610955768 QZBQPOYJELNEAG-UHFFFAOYSA-N 435.512 5.819 30 20 IKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)cc1 611467571 RRLYUBZWFAXLHQ-KRWDZBQOSA-N 432.549 5.044 30 20 IKED C[C@]1(C#N)CCCN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 612372224 KFBLOTZKCPBVPQ-OAQYLSRUSA-N 446.866 5.015 30 20 IKED CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc3c(c(-c4ccco4)c2C#N)CCC3)cc1 612736322 YIAABRWNFJBSHA-HNNXBMFYSA-N 431.517 5.024 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 615081424 GBJSYFVXCPGZCP-UHFFFAOYSA-N 442.968 5.141 30 20 IKED Cc1sc(Br)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1C 619649057 IXPUXNMIFBLFAE-UHFFFAOYSA-N 428.311 5.439 30 20 IKED Cc1ccc(-n2ncc(C(=O)Nc3cccc(C#Cc4ccccn4)c3)c2C(F)(F)F)cc1 640551738 JRNNMHRIOLKDJQ-UHFFFAOYSA-N 446.432 5.247 30 20 IKED C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 669803211 ZYCXCKVTXVHAKB-RLWLMLJZSA-N 441.579 5.140 30 20 IKED O=C(Nc1ccc2nc(C(F)F)sc2c1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 672819175 OOFTZZLJXZYXCY-HTQZYQBOSA-N 433.324 5.438 30 20 IKED N#CCCn1cc(C(=O)COC(=O)C[C@H](c2ccccc2)C(F)(F)F)c2ccccc21 728651460 CFABRBJZMVGILQ-LJQANCHMSA-N 428.410 5.017 30 20 IKED CC(C)(C)c1csc(C2CCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)n1 728918848 QZTCHLSSDBCETI-UHFFFAOYSA-N 431.005 5.174 30 20 IKED CC[C@H](C)Oc1ccccc1/C=C/C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 729890023 WGBZYZIKJKQGEO-GISYJOQOSA-N 444.503 5.539 30 20 IKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3)s2)ccc1Cl 729939025 GFDQHQDQKWCYCV-UHFFFAOYSA-N 428.970 5.206 30 20 IKED Cc1ccsc1-c1nnc(S[C@@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)o1 730150063 GNXJUXLGUOTJMQ-QCUKBLKESA-N 425.579 5.468 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(Cl)c2cccnc12 731071723 XOLRTGGIDHMBNL-CQSZACIVSA-N 439.924 5.078 30 20 IKED COc1cc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1 731645284 ITGQTOQPPVTLGM-HXUWFJFHSA-N 440.421 5.288 30 20 IKED N#CCOc1ccc(COC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)cc1 733468063 IFQISEJHHLAXOZ-UHFFFAOYSA-N 429.259 5.440 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 733623229 IEBDSYVLZOZWCX-OAQYLSRUSA-N 448.910 6.208 30 20 IKED C=CC[C@@H](NC(=O)N[C@H](Cc1ccccc1C)c1ccc(OC)c(OC)c1)c1ccncc1 734665289 KYBSDIVOXIEIKN-DNQXCXABSA-N 445.563 5.308 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 742536532 ABUNTBATJDEUIW-IBGZPJMESA-N 425.366 5.521 30 20 IKED CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 750836472 ZZUGEYYFPRNXJC-AFMDSPMNSA-N 438.527 5.130 30 20 IKED C[C@H](NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)C(c1ccccc1)c1ccccc1 754275833 WSBSQTATHQRGFP-CVDCTZTESA-N 432.527 5.034 30 20 IKED Cc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(Br)n1 755563576 MUASOGLAHHSSDR-UHFFFAOYSA-N 436.309 5.050 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1 758584068 JMEIRAAPKJUBCL-WMZHIEFXSA-N 431.492 5.372 30 20 IKED Brc1cc(CON=Cc2cccc(OCc3ccncc3)c2)c2ncccc2c1 759759093 JUYJSWSOLYGIQL-UHFFFAOYSA-N 448.320 5.522 30 20 IKED CC(C)[C@H](NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccc(C(F)(F)F)cc1 761742417 GLMJHVMLGQATRV-RTWAWAEBSA-N 431.458 5.057 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)c1nnc(-c2cccc(C)c2)o1 765327524 ASKIYPJVHXGHTC-GOSISDBHSA-N 447.564 5.563 30 20 IKED O=C(N[C@H]1CCC(F)(F)C1)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl 765908773 DVOMJYQAXNPIMR-VIFPVBQESA-N 443.750 5.097 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)cc1 767588562 UFXNJYBZMZVPQC-DNQXCXABSA-N 431.923 5.601 30 20 IKED N#C[C@@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1cccc(C(F)(F)F)c1 768182324 YXMSADMZFDTCSA-JOCHJYFZSA-N 432.405 5.310 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C/c2cccc3nccn23)C(=O)c2ccccc2)c(Cl)c1 769609064 WIGYLVSIXXLHAS-HMMYKYKNSA-N 429.907 5.510 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)O[C@H](C)c1ccc(F)c(C(F)(F)F)c1 778052023 NMOUFGZQROBMLC-BXKDBHETSA-N 440.359 5.628 30 20 IKED Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl 778296898 DXQHMDGDGJORIX-LBPRGKRZSA-N 431.851 5.011 30 20 IKED Sc1nnc(CSc2ccccc2)n1N=Cc1ccc(Cl)cc1Br 782246059 WNINHJMAXMXZLQ-UHFFFAOYSA-N 439.791 5.157 30 20 IKED N#CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 784126445 XVEVTYVVXYHION-QFIPXVFZSA-N 442.544 5.104 30 20 IKED C=CCC[C@H](C(=O)OCc1nnc(-c2ccccc2Br)o1)c1ccccc1 784827133 ZYDWPZOFIKRBPI-INIZCTEOSA-N 427.298 5.292 30 20 IKED Cc1ccc(C(=O)N[C@@H](CC(=O)[C@H](C#N)c2nccc3ccccc23)c2ccccc2)cc1 792093055 HHCNXRYLDUQYQQ-DQEYMECFSA-N 433.511 5.281 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@@H](C#N)c1cnc2ccccc2n1 792115046 SFESVWQCYXGLMO-YOEHRIQHSA-N 448.935 5.436 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)Cn2c(Cc3ccccc3)nc3ccccc32)s1 797567334 GQAJQRAJTMJVAU-GOSISDBHSA-N 428.561 5.258 30 20 IKED C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(C(F)(F)F)cc1 798817169 UZWZCGHDUDZYKQ-IINYFYTJSA-N 429.225 5.463 30 20 IKED CN(C(=O)c1ccccc1NC(=O)N[C@H](CCCC#N)c1ccccc1)C1CCCCC1 814616621 ABZSHMXKOPALFL-HSZRJFAPSA-N 432.568 5.648 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cscc3Br)n2)cc1 815921658 NROCHNZEOJPOTL-CQSZACIVSA-N 433.352 5.062 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc([C@@H]2CCC(=O)N(CC3CCCC3)C2)no1 856574226 XZVCUBRBLRFQPV-MRXNPFEDSA-N 449.473 5.216 30 20 IKED Cc1ccccc1-c1ccccc1CNc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 863999969 NTAOUVASPLMJFO-IMVLJIQESA-N 433.577 5.087 30 20 IKED N#CCOc1ccc(Cl)cc1CN1CC2(CCOCC2)c2ccc(Br)cc21 864033447 WRNOYYYWLXXFKX-UHFFFAOYSA-N 447.760 5.073 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1cccc(C#Cc2ccccn2)c1 880592938 HHFIBYCXJUNHRV-UHFFFAOYSA-N 444.897 5.079 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)cc1 915085262 JOTNVKLEYGWFMZ-AREMUKBSSA-N 437.543 6.113 30 20 IKED Cc1nn(C)c(C)c1CCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103319 SRFBXANXCMQTQP-INIZCTEOSA-N 433.364 5.276 30 20 IKED Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C\c3ccc4ncccc4c3)cc2)cc1 916141473 BFZWPUOONFNLKR-CHHVJCJISA-N 428.513 5.240 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)c2C#N)C1 916828310 TXQYMBJJCOCDBY-QRQCRPRQSA-N 442.540 5.451 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916885452 XJRUAIBHGYZJPJ-AWEZNQCLSA-N 434.723 5.339 30 20 IKED COc1ccccc1/C=C(\C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1 917040542 LNHJUKXGSYUCKA-RMWKRFJVSA-N 443.453 5.857 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(OC(F)F)cc2)cs1 917561352 CCQRZSJLCWYXOD-IZZDOVSWSA-N 448.878 5.979 30 20 IKED C=CCn1c(-c2ccc(F)cc2)nn(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1=S 919950028 CMHQFZIMUKUGOE-UHFFFAOYSA-N 441.532 5.182 30 20 IKED Cc1cccc2[nH]cc(C=Nn3c(S)nnc3COc3c(Cl)cccc3Cl)c12 920369965 CSDHWDPNSGEPDT-UHFFFAOYSA-N 432.336 5.125 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2nc(-c3ccccc3)oc2C)cc1C 920893527 WZMXLIZQILWRKG-UHFFFAOYSA-N 440.503 5.401 30 20 IKED COc1ccc(COCc2cccc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)c2)cc1 921155499 SQPDYWFTMQTYIL-UHFFFAOYSA-N 441.487 5.228 30 20 IKED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)c2ccc(C3SCCCS3)cc2)CC1 925497365 VOAAPJBJFSZMJI-WCCYLALTSA-N 446.638 5.031 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3nccc4[nH]ccc34)cc2)CCC1 1788465288 ZGYKOZWDYHNMSU-HXUWFJFHSA-N 428.536 5.079 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3oc4ccccc4c3C)cc2)CCC1 1788967445 ADCHBHUSKLJLDL-UHFFFAOYSA-N 434.561 5.408 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc4cnccc4[nH]3)cc2)CCC1 1789358108 PAAKUTXXLGCPNY-NRFANRHFSA-N 428.536 5.079 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cn(C)c4ncccc34)CCC2)cc1 1789453913 IGFYQLHFTBZGKY-NRFANRHFSA-N 442.563 5.089 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5ccoc5c4)CCC3)cc2)cc1 1790290518 UPHCYZFSYBFNIS-UHFFFAOYSA-N 435.483 5.366 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C[C@@H]4CCCCO4)CCC3)cc2)c1 1792122643 DILOURCVMFFSQF-CYFREDJKSA-N 445.563 5.021 30 20 IKED CC(C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@@H](C)C#N)c1)C2)c1ccccc1 1793209179 KMFWQBGCCPMEGH-CIHKHTDDSA-N 443.591 5.005 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3sccc3[nH]2)n[nH]1 1819190289 DZHBFTSGVLPZMO-SFHVURJKSA-N 439.585 5.251 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(C)ccc3[nH]2)[nH]n1 1819305469 KEBYCOFBZATOCP-AUSIDOKSSA-N 445.567 5.274 30 20 IKED CC1(C)CCC(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)CC1 1820548643 JZQIOYNDWLAIIH-QFIPXVFZSA-N 447.583 5.194 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)ccc2F)CC1 1829068520 AXTTYHXPDAEJSM-JOCHJYFZSA-N 432.555 5.191 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(OCC)c2)CC1 1829068788 QHUJYOQSXLOLOY-DEOSSOPVSA-N 440.628 5.311 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2cccc3ccccc23)CC1 1831369321 ITGSJFSZBQQAAW-OFVILXPXSA-N 448.607 5.051 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(N(C)C)cc1 10174369 MQOVVQHMRHNBGF-UHFFFAOYSA-O 444.624 5.142 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)cc1 25841536 CCGJUGAAAFFRAM-UHFFFAOYSA-N 425.463 6.201 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C(=O)Nc2ccccc2Cl)C(C)C)n1 32327791 QCEJVOSYDSCOLJ-MRXNPFEDSA-N 427.879 5.689 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CCCN(Cc4cccs4)C3)cc2)cc1 64706797 SEOFUTPLYWZIPL-FQEVSTJZSA-N 446.576 5.446 30 20 IKED CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 65374102 JXGXFTVPQHBZJT-TZIWHRDSSA-N 448.567 5.208 30 20 IKED N#CCSc1ccccc1NC(=O)CNc1ccccc1NC12CC3CC(CC(C3)C1)C2 72058766 MSUDNOQMRUNWOD-UHFFFAOYSA-N 446.620 5.734 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Sc1ccc(Br)cc1 303306725 PSVBWNPWYBABMM-UONOGXRCSA-N 435.412 5.820 30 20 IKED Cc1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c(OC[C@@H]2CCCO2)c1 303653901 UVYGPNOYZPWMLE-DEOSSOPVSA-N 442.515 5.256 30 20 IKED Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)o1 303804527 MIKOFHOBMKYXRQ-VWLOTQADSA-N 443.547 6.382 30 20 IKED COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 409524117 WQACWBYRVVCTOQ-ISKFKSNPSA-N 442.515 5.205 30 20 IKED CC(C)[C@@H]1C[C@@H](CC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c2ccccc21 426110628 NBRCRPREOLIJLG-OFVILXPXSA-N 429.564 5.053 30 20 IKED N#CCSc1cccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)c1 426929915 VYUXZXLTIBZYLF-UHFFFAOYSA-N 434.361 5.514 30 20 IKED Cc1c(-c2ccccc2)sc(NC(=O)NCC2(CC#N)CC2)c1C(=O)N1CCCCC1 432256296 GIAIHHVCKCYRPB-UHFFFAOYSA-N 436.581 5.165 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CC4(CCC4)[C@@H]3c3ccccc3)c2)c1 432919429 WDFTXNIBOVWRFY-DEOSSOPVSA-N 436.515 5.570 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CCCC(C)(C)[C@H]1C#N 434023449 DZECWJLAWAHMHL-MRXNPFEDSA-N 433.936 5.256 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCOCC(F)(F)C(F)F)cc1Cl 434148974 WWJFNKZTDVMGFE-INIZCTEOSA-N 443.828 5.034 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 435352788 HPUUZHBRNHCZCN-MRXNPFEDSA-N 441.478 5.720 30 20 IKED CN(C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1cc(Cl)ccc1C#N 436001904 OLXJQSCPDQFPAZ-UHFFFAOYSA-N 432.332 5.106 30 20 IKED CCOCCOc1ccc(Cl)cc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 437975941 GNPOWWUAQXGLQR-PZJWPPBQSA-N 427.932 5.059 30 20 IKED CCCc1c(NC(=O)N(C)Cc2ccc(SC)c(OC)c2)cnn1-c1cccc(C#N)c1 439665523 RPAVZPQSFXZEAC-UHFFFAOYSA-N 449.580 5.091 30 20 IKED N#Cc1ccc(NC(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)cc1C(F)(F)F 443916494 ATMVMZUFQRBMHH-CYBMUJFWSA-N 432.377 5.269 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cccc(CCC(F)(F)F)c1 446519977 INDZJRCSNXZXJV-UHFFFAOYSA-N 430.879 5.050 30 20 IKED CC(=O)c1cc(F)c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c(F)c1F 461085571 HWIHAXFCHPDIKM-UHFFFAOYSA-N 444.796 5.876 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl 461097805 GIOATMSFDUHTDF-LBPRGKRZSA-N 442.894 5.446 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccc(-c3cccnc3)cc2)cc1C 464906141 UBTRNUYDLFSCCP-UHFFFAOYSA-N 435.531 5.073 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCC[C@@]2(CCCCO2)[C@H]1C#N 468660772 JCAWOMGRONTTMA-UTKZUKDTSA-N 434.323 5.024 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3nnc(-c4ccc(Cl)cc4)o3)cc2)cc1 468744986 AFASRMZZIAAXAP-UHFFFAOYSA-N 444.878 5.625 30 20 IKED C[C@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@@H](c2ccsc2)O1 470793913 ODLFVBPBEKNOSJ-UUOWRZLLSA-N 447.560 5.387 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Cl)cc1-c1ccc(Cl)cc1 471393370 SBJUHSDRYAAIBE-UHFFFAOYSA-N 440.330 5.821 30 20 IKED N#C[C@@H](C(=O)c1cc(Oc2cccc(Br)c2)ccn1)c1nc2ccccc2[nH]1 474827715 GOLNORCPUWVKNH-INIZCTEOSA-N 433.265 5.003 30 20 IKED C[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccc(NC(=O)Nc2ccccc2)cc1 474913322 MVKRSPJGRBBJPJ-GOSISDBHSA-N 426.520 5.623 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 475560887 KGSLLSDBGSYCEU-SFHVURJKSA-N 433.474 5.638 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)CC 476123286 OPRVBYUHDKIHOI-IBGZPJMESA-N 448.636 6.499 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nc2cc(F)cc(Cl)c2o1 479482471 WVQVHBQVDUJXST-LLVKDONJSA-N 435.933 5.603 30 20 IKED CCS[C@H](C)c1noc(CN(C)C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)n1 482768580 IMCNYWPKVVMBQR-MRXNPFEDSA-N 436.537 5.128 30 20 IKED C=CCSc1ccccc1C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC 485744166 UUOFHDGWESOTST-UHFFFAOYSA-N 448.544 5.487 30 20 IKED CCc1c(NC(=O)c2c(F)c(F)cc(F)c2F)cnn1-c1cccc(C(F)(F)F)c1 486411112 OIXAYVHGYRUMNN-UHFFFAOYSA-N 431.311 5.262 30 20 IKED C=CCn1c(SCc2nc(-c3cc(F)c(F)c(F)c3)no2)nnc1-c1ccccc1F 486631524 QDGAXBXKOSLZCV-UHFFFAOYSA-N 447.417 5.030 30 20 IKED C=CCn1c(SCC(=O)N2CCC(CC)CC2)nnc1-c1ccc(Cl)cc1Cl 490583103 GPNJDTFICRLZRS-UHFFFAOYSA-N 439.412 5.179 30 20 IKED CC(C)(CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(F)cc1 491566102 BEYFAJHNOVNFDV-UHFFFAOYSA-N 431.511 5.570 30 20 IKED N#Cc1ccccc1-c1ccc(CS(=O)(=O)Cc2csc(C3CCCCC3)n2)cc1 494717363 IQNPMOWZXDOPHO-UHFFFAOYSA-N 436.602 5.844 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)c1-c1ccccc1 500184223 AHZUKCDHLIBIHR-UHFFFAOYSA-N 446.404 5.186 30 20 IKED COc1ccc(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(OC)c1OC 500735906 AHMIYTJEUUWZPC-UHFFFAOYSA-N 446.503 5.256 30 20 IKED Cc1nc([C@@H]2CCCCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)no1 501140166 DFUGMOZGIVHIBV-NRFANRHFSA-N 449.486 5.117 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](c1ccccc1)c1cccnc1 503273734 VZLHVZAAAWYIJH-AREMUKBSSA-N 434.499 5.965 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(OCc3cscn3)c2)o1 505000886 LPCQOWJLCSCBHN-UHFFFAOYSA-N 431.473 5.018 30 20 IKED N#Cc1cc(NC(=O)N[C@@H]2CCCc3cn(C4CCCC4)nc32)ccc1OCC(F)(F)F 506404912 GTDLQQAZFTYOSQ-GOSISDBHSA-N 447.461 5.010 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1ccc(Cl)c(Cl)c1 508927449 MPYHTZPTVXDAJC-UHFFFAOYSA-N 426.303 5.932 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)Cc3ccc(Br)s3)c2)cc1 510053184 FLCVABZEQQZHGM-UHFFFAOYSA-N 441.350 5.337 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1ccc(OC(F)(F)F)cc1 513347023 BSWJDBBJRJKXBI-MRXNPFEDSA-N 440.535 5.244 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2ccccc2SCc2ccc(Br)cc2)n1 513656317 ZZABSAQMTIELNG-QGZVFWFLSA-N 443.391 5.996 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4sc5c(c4C#N)CCCC5)cc3)o2)c1 514773656 ZEDXHGGBCIPTKC-UHFFFAOYSA-N 440.528 5.776 30 20 IKED Cc1cc(Br)ccc1N(C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 517655755 UDSLFWXVJHUUKN-UHFFFAOYSA-N 435.321 5.893 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NCc3ccc(Oc4ccccc4)nc3)cc2)cc1 521094192 SEHKSCGKBJSZEV-UHFFFAOYSA-N 435.483 5.662 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)cc2)cc1 521366161 IHLBEHGSVIAMLB-UHFFFAOYSA-N 434.499 6.153 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(OCc2cccc(C)c2)c1 522087957 CFKHGIKSFHVLNF-UHFFFAOYSA-N 429.520 5.126 30 20 IKED C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 523088353 CYJMENVOELQKOZ-ATIQYGATSA-N 430.470 5.262 30 20 IKED CC(C)(C)OCc1cccc(CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1 523199025 FESGREXTOUBBBH-UHFFFAOYSA-N 434.565 5.242 30 20 IKED C[C@H](Sc1ccc(C#N)cc1F)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 525114965 AEBMTSUQXSNMTE-ZDUSSCGKSA-N 425.510 5.130 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(-c2ccccc2)c(C)nc1O 530699589 GJQIOBQCDMDDKQ-UHFFFAOYSA-N 436.471 5.382 30 20 IKED Cc1nc(NC(=O)c2cc(Br)cc(C(F)(F)F)c2)sc1SCC#N 533678950 VVWXVKLRNCIICS-UHFFFAOYSA-N 436.278 5.101 30 20 IKED C=CCC[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 535792540 UFXYNDJJYWZLTK-ZDUSSCGKSA-N 434.461 5.198 30 20 IKED C=CCOc1cccnc1C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 537124548 WEEJCXWSUZJVMR-UHFFFAOYSA-N 432.867 5.288 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCC2(c3ccncc3)CCCC2)cc1 538500029 CWTYGKGJUFSZHI-UHFFFAOYSA-N 427.573 5.487 30 20 IKED Cc1cccc(C2=CCN(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)CC2)c1 538945463 JIYNVQJCCWBIEC-UHFFFAOYSA-N 447.589 5.332 30 20 IKED C[C@@H](NCc1ccc(-c2ccccc2C#N)cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 540316233 QWMFQDGEIJWBPA-HXUWFJFHSA-N 444.600 5.792 30 20 IKED COc1cc(C)c([C@@H](C)NCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)cc1OC 540389214 DTQXWYRGVREBLZ-LJQANCHMSA-N 446.547 5.322 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)N1C[C@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1 541496937 CFTFOTXGPCEJPD-QRWLVFNGSA-N 447.457 5.217 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2cccc(C#N)c2)cc1 542995206 SBHKWBKWDZOKIU-OAHLLOKOSA-N 437.421 5.060 30 20 IKED C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)Nc1cc(F)ccc1OCC(F)(F)F 543065908 AYQKMIJUZDVSLN-LLVKDONJSA-N 438.343 5.615 30 20 IKED O=C(CC[C@@H]1CCOC1)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 543084658 PLSIFXOHBRTOQL-OTYXRUKQSA-N 437.302 5.261 30 20 IKED CCc1sc(-c2nnc(CN[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)o2)cc1C 543870649 BQQDKCRCIKVAEC-QGZVFWFLSA-N 428.561 6.058 30 20 IKED N#Cc1ccc(CN(C(=O)c2cc(COc3c(Cl)cccc3Cl)on2)C2CC2)cc1 544163457 RLOYDSDTWUBJOS-UHFFFAOYSA-N 442.302 5.237 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)Nc2ccc(Br)c3ccccc23)CC1 548807170 DWUVUCJFLGUJRC-UHFFFAOYSA-N 435.325 5.087 30 20 IKED C=CCN(C(=O)C[C@@H](C)c1ccccc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 549339210 LKUIKWZTUVPOMN-OAHLLOKOSA-N 425.485 5.570 30 20 IKED N#CC(CCN1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1)(c1ccccc1)c1ccccc1 554273481 GXZOPPMRKHHNAS-BJKOFHAPSA-N 442.563 5.348 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1 554443472 YBRKMWSXJRQRQI-OAHLLOKOSA-N 437.487 5.686 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2sc3ccccc3c2Br)cc1 554968479 ZDUREUTXRZZZTR-UHFFFAOYSA-N 430.327 5.224 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 555077182 UWBLHWJXMIJMGR-OYHNWAKOSA-N 447.526 5.779 30 20 IKED COc1cccc([C@H](NC2CCN(c3ccc(C#N)cc3)CC2)c2cc(F)ccc2OC)c1 563642476 VXROSCNTFDZBOQ-MHZLTWQESA-N 445.538 5.063 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 569681008 XOEVMTAJSLYMST-UHFFFAOYSA-N 431.488 5.316 30 20 IKED CCn1c([C@@H](C)NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)nc2ccccc21 569699526 OVAROIJXHOQSQH-QGZVFWFLSA-N 449.986 5.065 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 577778523 LTZNMRZISZCLBL-UHFFFAOYSA-N 442.500 5.071 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](CO)c1ccc(Cl)cc1 588238639 HHROIAZPKRWGRO-LJQANCHMSA-N 435.911 5.210 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1nc(C(C)(C)C)cs1 591627506 SVBGRUZYTYVEPU-UHFFFAOYSA-N 440.382 5.240 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1 603807156 VFXATWOTTMASCR-UHFFFAOYSA-N 438.575 5.163 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CSc2ncc(-c3ccc(Cl)cc3)o2)c1C 603908831 QKUBZPZIDYURFB-UHFFFAOYSA-N 425.941 5.651 30 20 IKED Cc1cc(Cl)ccc1S(=O)(=O)Nc1ccccc1COc1ccc(CC#N)cc1 603983616 HRBDIYRWYBRKJA-UHFFFAOYSA-N 426.925 5.094 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccccc2)o1 604098244 QGDFCZLZDFAUGF-UHFFFAOYSA-N 437.455 5.235 30 20 IKED COCCN(Cc1ccc(C#N)cc1)c1nc(COC)nc2scc(-c3ccccc3)c12 604525109 CTKZGJMLQRSBMZ-UHFFFAOYSA-N 444.560 5.029 30 20 IKED O=C(Nc1cccc(C(F)F)c1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 606187880 SZPAYRFEEIYJGC-UHFFFAOYSA-N 443.290 5.759 30 20 IKED Cc1ccc(-c2nc(CCNC(=O)c3ccccc3Sc3ccccc3C#N)co2)cc1 608818079 ZNTGDDAHHJRXND-UHFFFAOYSA-N 439.540 5.645 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(CCN4CCCCC4)cc3)o2)cc1 609059572 IVUNYGWVFWDHLA-UHFFFAOYSA-N 429.520 5.011 30 20 IKED N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1nc2cc(F)ccc2s1 609321495 AKQDZOIPRHZTEA-QGZVFWFLSA-N 433.420 5.626 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 609359346 RGPSMCBITUTUDD-UHFFFAOYSA-N 433.364 5.726 30 20 IKED C[C@H](Nc1ccc(C(=O)Nc2ccccc2SCCC#N)cc1[N+](=O)[O-])c1ccccn1 609375467 WGDJPORGAUCIDX-INIZCTEOSA-N 447.520 5.421 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)CC1 609546074 QTLWAZQJRWDSOH-UHFFFAOYSA-N 441.535 5.133 30 20 IKED COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)N[C@@](C)(C#N)C2CCCCC2)cc1 609640658 BJUNPEPUDFBDMR-MHZLTWQESA-N 442.563 5.069 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCc4cccc(Br)c4C3)cn2)cc1 609826676 PUOFRONAAXHHHD-UHFFFAOYSA-N 449.308 5.098 30 20 IKED CN(Cc1cccc2ccccc12)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609941117 MCJFNEGDLLRWIV-UHFFFAOYSA-N 435.483 5.101 30 20 IKED C[C@@H](NC(=O)NC1CCN(c2cccs2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 611847617 NYSOLZKSHOHCQK-GOSISDBHSA-N 430.577 5.316 30 20 IKED C[C@]1(C#N)CCCN(C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)C1 612358642 PSQUCCIYOLICCC-PZJWPPBQSA-N 430.321 5.013 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@H](c4cccc(Cl)c4)C3)cn2)c1 613460912 ZYWSBKJNEFQEGX-NRFANRHFSA-N 434.883 5.004 30 20 IKED Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2cccs2)c1C 619855096 PRELSQVGGSUFDO-YADARESESA-N 435.597 5.275 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(Br)c(F)c1 620691913 BNZRINCGSGVVCD-MYJAWHEDSA-N 436.165 5.228 30 20 IKED CCc1csc(-n2cc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cn2)n1 677811566 AFSVARUBAWFCKQ-CYBMUJFWSA-N 447.467 5.010 30 20 IKED O=C(Nc1ccc(Cl)cc1OC(F)F)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 680832612 NNASLPQNSVZELQ-YUMQZZPRSA-N 426.691 5.146 30 20 IKED CCCNC(=O)Nc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 726321382 GMTZVCQWNQASGO-HXUWFJFHSA-N 432.549 5.069 30 20 IKED CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N\[C@H](C)c1cccs1 726419296 HSWXFLABCZEYGZ-SQUMYPLMSA-N 436.002 5.120 30 20 IKED CCOC(=O)c1c(NC(=S)Nc2ccc(C#N)c(Cl)c2)sc2c1CCSC2 726443379 ADSGRRKYRHWRBU-UHFFFAOYSA-N 437.999 5.048 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(Cl)c2)[n+]2ccc3c(c2)CCCC3)c1 726573519 IENROENUXIBCNO-UHFFFAOYSA-O 445.995 5.811 30 20 IKED Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)o2)c1 728669322 OFBZRLQDTLEMNM-QGZVFWFLSA-N 425.444 5.627 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1OC 729410232 MHXGAWXMBLZRLC-UHFFFAOYSA-N 438.524 5.200 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1 730397053 WTLGBBKVGWYDNV-JOCHJYFZSA-N 449.441 5.604 30 20 IKED CCCCCCn1nc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccccc2c1=O 730990546 ZFRNEHGTLVTPBK-SFHVURJKSA-N 448.592 5.481 30 20 IKED CC(C)Sc1ccccc1C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 731060139 RFSFLRJWLWMZMG-MRXNPFEDSA-N 428.579 5.234 30 20 IKED CC(C)n1cc(/C=C2/CCc3nc(-c4ccc(Br)cc4)sc3C2=O)cn1 732714609 VYHZKSVQHNWZPI-DHDCSXOGSA-N 428.355 5.563 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(CC)Cc2ccc3ccccc3c2)ccc1OC 733656222 JBXYHSQGOMZBIS-QHCPKHFHSA-N 431.536 5.261 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2CN2CCc3ccccc32)c1 733843815 OHWNWULMYUCIBQ-QHCPKHFHSA-N 440.547 5.252 30 20 IKED CN(C)c1ccc(CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C2CC2)cc1 734317457 LIZBIMSIGDAPCM-UHFFFAOYSA-N 425.532 5.008 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2cc(-c3ccccc3)on2)cc1Cl 735807501 GBSHQZUAYZIKNH-JOCHJYFZSA-N 427.891 5.832 30 20 IKED CC(=NNc1cccc(C(F)(F)F)n1)c1ccc(OCC(=O)Nc2ccccc2C)cc1 739421828 POHGOPHILZMNQZ-UHFFFAOYSA-N 442.441 5.262 30 20 IKED C[C@@](O)(CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccs1 740437581 RWSFCFLRFVQAFH-PGRDOPGGSA-N 425.941 5.086 30 20 IKED Cc1c(C(=O)/C=C\c2c(Cl)nc(Cl)n2C)cnn1-c1ccc(Cl)cc1Cl 743056496 WCEUXWVTQNZQOU-WAYWQWQTSA-N 430.122 5.424 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1 743094917 FNGBPNYDJLULND-QHCPKHFHSA-N 428.923 5.841 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1 744015819 DOXSYJHKCKZKBY-IBGZPJMESA-N 440.503 5.320 30 20 IKED Cn1cc(-c2cccc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2)cn1 744038368 RMTNXPVGBFKCRB-MRXNPFEDSA-N 426.423 5.206 30 20 IKED Cc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1N1CCOC1=O 746359352 GWPYALMLRIYCGN-UHFFFAOYSA-N 429.501 5.227 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)c1 747107287 AZHKJTXCIDMPCE-MRXNPFEDSA-N 429.423 5.099 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1 747149440 DSTYRFMYVXZFAZ-QJOMJCCJSA-N 428.488 5.625 30 20 IKED COC(=O)Nc1cc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)cc(C(F)(F)F)c1 752372734 AKQSBKJUQAGWBD-UHFFFAOYSA-N 446.410 5.131 30 20 IKED C=CCn1c(SCc2cccc(SC(=O)N(C)C)c2)nnc1-c1ccc(F)cc1 753060016 CXBVDJGXOBCXHP-UHFFFAOYSA-N 428.558 5.336 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2ccccc2NC(=O)OC(C)(C)C)cc1 756516044 PIUNZBHZTVSMNP-UWJYYQICSA-N 449.551 5.437 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 760785419 AEWDXSIQAQTLOG-UHFFFAOYSA-N 437.496 5.003 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN(Cc2cccc(OC)c2)CC(C)C)c1=S 764938861 DIGBOPHZDORXPA-UHFFFAOYSA-N 437.613 5.176 30 20 IKED C[C@H](Cc1ccc(Br)cc1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 765915626 LYVGIBPUNYZFAT-IUODEOHRSA-N 432.268 5.249 30 20 IKED Cc1nc(NCC(=O)N(CCC#N)c2ccc(F)cc2)c2cc(-c3ccccc3)sc2n1 770956045 VBBVVJXHGRELDA-UHFFFAOYSA-N 445.523 5.165 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(SC(F)F)nc2)cc1C 771469798 PRKTYKLFPPDMSL-UHFFFAOYSA-N 427.480 5.043 30 20 IKED CC[C@H](NCc1cccc(O[C@@H](C#N)CC)c1)c1ccc(I)cc1 772985083 QQOVXFZHHZXNSW-QUCCMNQESA-N 434.321 5.213 30 20 IKED CC(C)Oc1ccc(-c2nc(C(=O)O[C@H](C#N)Cc3ccc(F)cc3F)cs2)cc1 774332754 CWDRHUSDWMQOGK-SFHVURJKSA-N 428.460 5.167 30 20 IKED CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)c2cccs2)cc1 780043265 GUKSNJQXELUHII-UZUQRXQVSA-N 447.560 5.007 30 20 IKED COc1ccc(CCN(Cc2ccccc2)C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 780678554 PIZURTXEZZCTMK-FQEVSTJZSA-N 429.520 5.263 30 20 IKED CCN(C(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1)[C@@H](C)c1ccc(C#N)cc1 780905976 AHMUQKHIUBJIHP-FNZWTVRRSA-N 428.532 5.170 30 20 IKED CC(C)(C)N1CC[C@@H](NC(=O)c2ccccc2SCC#N)[C@@H]1c1ccc(Cl)c(F)c1 782753895 PGCYVFZRIGIZBK-CTNGQTDRSA-N 445.991 5.439 30 20 IKED CN(Cc1ccccc1)C(=O)[C@H](C#N)C(=O)c1ccc(-c2nc3ccccc3s2)s1 787071597 MCKCLHNLBKYLPL-MRXNPFEDSA-N 431.542 5.006 30 20 IKED C[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1csc2ccccc12 787483306 LSWIZYSSFXCJRX-MRXNPFEDSA-N 432.549 5.367 30 20 IKED CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797566555 NJIPVQDIOAJZSK-NFBKMPQASA-N 447.604 5.154 30 20 IKED N#Cc1cc(NC(=O)N2CCC(F)(F)CC2)ccc1Oc1ccc(C(F)(F)F)cc1 797630526 ZMGCBENSSBJFKA-UHFFFAOYSA-N 425.357 5.632 30 20 IKED N#CC1(CCCOC(=O)[C@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)CCOCC1 801459311 RNAJYNCEONJVKW-OAQYLSRUSA-N 448.346 5.757 30 20 IKED COc1ccc2c(c1F)C/C(=C\c1csc(N(C(C)=O)c3ccc(F)cc3F)n1)C2=O 809156852 NSWCKCYUVDPIIX-KPKJPENVSA-N 444.434 5.076 30 20 IKED O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(Br)nc1 811695572 AHVVISOIGMSFOA-NTMALXAHSA-N 441.712 5.646 30 20 IKED Cn1ccnc1[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1F 915353605 PHJJCMUPWKNOAF-ISKFKSNPSA-N 439.494 5.126 30 20 IKED Sc1nnc([C@H]2CCCO2)n1N=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1 916368054 VNQKJVXORSCSLZ-HSZRJFAPSA-N 441.560 5.770 30 20 IKED N#CCOc1cccc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)c1 916410346 ZXOJBFQOAJLAKH-UHFFFAOYSA-N 436.855 5.015 30 20 IKED N#C[C@@H](C(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1nc(-c2ccc(Cl)cc2)cs1 916976950 YDJJQLOCQNRFMC-HNNXBMFYSA-N 445.327 5.307 30 20 IKED C=CCOc1ccc(/C=C\C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1OC 920143631 YZEDQMDUVVCPPZ-GFWYJJLOSA-N 441.512 5.145 30 20 IKED C[C@@H](C#N)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCC2(CCCCC2)O1 1596831263 LBUBEKUIWRRVNW-RXVVDRJESA-N 442.007 5.000 30 20 IKED COc1c(Cl)cccc1C(=O)Nc1ccc(C2(NC(=O)[C@@H](S)C(C)C)CCC2)cc1 1792145162 IZYLTWQVWGXJCC-FQEVSTJZSA-N 447.000 5.051 30 20 IKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[C@H](C)CC)[C@@H]1c1cccnc1 1812586656 KTFDJRZCJBOJMN-UQCWTDEESA-N 447.623 5.130 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@]2(F)CCCC=C2F)[nH]n1 1814445838 XZIJZWAKIVACNX-HXOBKFHXSA-N 434.531 5.140 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CSc2c(C)cccc2C)[nH]n1 1821922222 GBHPRXGKWHLJLD-AZUAARDMSA-N 440.613 5.023 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2SC)CC1 1823753909 ONOIKFIYMDXLRJ-NRFANRHFSA-N 443.657 5.029 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCC(F)(F)CC2)CC1 1824325862 BQCBWMIFNLWKNC-JOCHJYFZSA-N 436.587 5.200 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(F)cc2)CC1 1828831673 XILFYZCNRRUSDC-LOSJGSFVSA-N 440.603 5.146 30 20 IKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)CC1 1829572446 BNQHSELLVUBMRK-QFIPXVFZSA-N 445.563 5.033 30 20 IKED C=CCn1c(SCC(=O)N(CC)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 10240213 QKYZDVOXTKNVCH-UHFFFAOYSA-N 430.936 5.069 30 20 IKED COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)OCCCC#N)cc1OC 21712588 JZQVIKGKXDPMBT-KNTRCKAVSA-N 442.515 5.589 30 20 IKED C[C@@H](N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccc(C#N)cc1 30449725 XLODJBMYXFDJEU-QRQCRPRQSA-N 434.883 5.150 30 20 IKED CCCN(CCC)C(=O)c1ccc(NC(=O)c2cc(C3CC3)nc(SC)c2C#N)cc1 58476271 DNVGQTHHRSJYBK-UHFFFAOYSA-N 436.581 5.067 30 20 IKED C=CCCC(=O)Oc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 60364729 FMUJUANYTKKUNO-UHFFFAOYSA-N 447.862 5.056 30 20 IKED C=CCn1c(SCc2ccon2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 79306408 XIGLUTBTACQMEI-UHFFFAOYSA-N 439.544 5.935 30 20 IKED C[C@H](NC(=O)c1ccccc1Sc1ccc(Br)cn1)c1ccc(C#N)cc1 108617746 GPJGOWLNWBTNPE-AWEZNQCLSA-N 438.350 5.358 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1nc2ccccc2n1C(F)F 195652866 DIOFEFCHLJUTMB-CYBMUJFWSA-N 446.244 5.414 30 20 IKED N#C[C@H](C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)c1nc(-c2ccncc2)cs1 195662578 PCZDXRJUOJWRRF-ZJSXRUAMSA-N 449.539 5.389 30 20 IKED C[C@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1cccc(NC(=O)c2ccccc2)c1 301327975 ACOGVXHJKWJAES-INIZCTEOSA-N 437.459 5.440 30 20 IKED CC[C@H](C#N)Oc1cc(CNc2ccc3cccc(Br)c3n2)ccc1OC 301679971 JCRFHPKXGGRFEO-MRXNPFEDSA-N 426.314 5.299 30 20 IKED Cc1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1NC(=O)C(C)(C)C 303514846 BZCFZDLZLXAKIV-UHFFFAOYSA-N 441.531 5.683 30 20 IKED C=CCOc1c(Br)cc(CNc2cccc(NC(=O)NCC)c2C)cc1OC 433196266 HXKWVINTTOILID-UHFFFAOYSA-N 448.361 5.084 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2n1-c1ccccc1 436327778 SZNHOQWGJOCTQE-ZCYQVOJMSA-N 434.543 5.256 30 20 IKED CCn1ncc(NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1C(F)(F)F 439887850 LGDBMUDFVQJZHE-NSHDSACASA-N 448.289 5.366 30 20 IKED CCCc1c(NC(=O)c2cncc(-c3ccc(OC)cc3)c2)cnn1-c1cccc(C#N)c1 440088795 BCWZDPSPEMZMGC-UHFFFAOYSA-N 437.503 5.019 30 20 IKED COc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)sc(C)c1Br 442683617 WFYMZLSKNUWMNV-VIFPVBQESA-N 440.269 5.063 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(Oc4cccc(Cl)c4Cl)nn3)[nH]c12 442732592 WISRUXCSYNNWOL-GFCCVEGCSA-N 438.274 5.251 30 20 IKED Cc1cc(O)c(C(C)C)cc1NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 443557237 HGEAHTFFESNQLY-UHFFFAOYSA-N 428.492 5.592 30 20 IKED C=CC[C@@H]1N(C(=O)[C@@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)CCCC1(C)C 443868235 MZZFAHADZSCUCV-CVEARBPZSA-N 433.643 5.229 30 20 IKED Cc1cc(NC(=O)c2cn(CCCC#N)c3ccccc23)ccc1NC(=O)c1ccco1 444033348 OBVCOOSALXMFKH-UHFFFAOYSA-N 426.476 5.351 30 20 IKED C[C@H](C#N)CN(C(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1)C1CC1 445042282 ONGHYYKSCKTTKS-GFCCVEGCSA-N 433.965 5.437 30 20 IKED N#Cc1cc(F)c(C(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)c(F)c1 446022081 YMUFKYDQQZEGKZ-UHFFFAOYSA-N 426.810 5.386 30 20 IKED Cc1ccccc1[C@@H]1CN(C(=O)c2cccc(OCc3ccccc3C#N)c2)[C@H](C)CO1 460397583 GJRWFFZDMWKINV-IBVKSMDESA-N 426.516 5.048 30 20 IKED C[C@H](c1cccc(C#N)c1)c1nc(Cc2nc(O)c3c(-c4ccccc4)csc3n2)no1 462829683 KHZIMHYTBZTSMJ-CQSZACIVSA-N 439.500 5.061 30 20 IKED C=CC[C@H](CC)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC=C 466541629 NXAGCXNMIYLMEB-AWEZNQCLSA-N 425.385 5.001 30 20 IKED O=C(c1cc(Br)cc(C(F)(F)F)c1)N(CCC(F)(F)F)CC(F)(F)F 468527908 JHKLKTUUIMSZNI-UHFFFAOYSA-N 446.107 5.425 30 20 IKED O=C(c1ccc(Oc2ccc(F)c(F)c2)cc1)N(CCC(F)(F)F)CC(F)(F)F 468532448 WXAZPMLDNRESPX-UHFFFAOYSA-N 427.291 5.714 30 20 IKED C[C@@H](SCCOCC(F)(F)C(F)F)c1nc(-c2cccc(C(F)(F)F)c2)no1 468632424 OXTLPLZUNPXINE-SECBINFHSA-N 432.361 5.467 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N(c3ccccc3)C3Cc4ccccc4C3)o2)cc1 470774479 SHWBHSMUZNSNHU-UHFFFAOYSA-N 434.495 5.544 30 20 IKED N#CC[C@@H](CC(=O)N1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 475534299 UOUYIVUDEITIEY-UWJYYQICSA-N 444.362 5.401 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1cccc2ccccc12 477564462 VXAKXNRWZMTELS-NDEPHWFRSA-N 449.554 5.659 30 20 IKED CCc1ccc([C@@H]2COCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)o1 480599428 BJWYXFZXMKLZBK-QFIPXVFZSA-N 449.482 5.037 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)cc1 480635782 LHUZPSWGXQXQNQ-KSSFIOAISA-N 433.430 5.554 30 20 IKED C=CCn1c(SCC(=O)N2CCc3sccc3[C@@H]2CC)nnc1-c1ccccc1C 481405067 SYBUMAOKZBAKKU-IBGZPJMESA-N 438.622 5.129 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)Nc1ccccc1SC[C@H](C)C#N 482524256 AKGCSIUKBBZPLP-OAHLLOKOSA-N 438.984 5.706 30 20 IKED C=C(C)[C@H](NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1ccc(F)c(F)c1 483307371 WFXTVVIYWDUVEE-JLGINSKQSA-N 427.539 5.277 30 20 IKED N#CCSc1cccc(C(=O)Nc2c(Br)cc(F)cc2Br)c1 484159208 JICZATCHEVBIIT-UHFFFAOYSA-N 444.123 5.219 30 20 IKED N#CCCC[C@H](NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1)c1ccccc1 487287883 QZGDIZOSRHPQHS-NRFANRHFSA-N 449.601 5.644 30 20 IKED C=CCn1c(SCc2nc3cc([N+](=O)[O-])ccc3o2)nnc1-c1cccc(Cl)c1 489639658 GCGHQLJYBCLEMX-UHFFFAOYSA-N 427.873 5.126 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Cl)cc1OCC(F)F 497545823 LZSZSDBKBWUWOL-UHFFFAOYSA-N 426.895 5.372 30 20 IKED C=CCn1c(SCc2ccc(Oc3ccccc3)nn2)nnc1-c1cccc(OC)c1 498020708 RIWRCCXNFANLEA-UHFFFAOYSA-N 431.521 5.014 30 20 IKED N#Cc1ccc(CN2CCCN(C(=O)Nc3c(F)cccc3Oc3ccccc3)CC2)cc1 504221682 ZYJTZNFIHHPKGX-UHFFFAOYSA-N 444.510 5.229 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccncc3C(F)(F)F)cc2Cl)c1 507039735 RQYZAZUWKSTEEG-UHFFFAOYSA-N 431.801 5.457 30 20 IKED Cc1ccccc1[C@@H]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 508246868 GSKCFWIMJCUOEW-JOCHJYFZSA-N 425.532 5.662 30 20 IKED N#Cc1c(NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)sc2c1CCCCCC2 508958262 IZGNYGUDRJOVAU-UHFFFAOYSA-N 427.614 5.082 30 20 IKED Cc1cc(N2CCCC2)ccc1NC(=O)CSc1nc(-c2ccccc2)ccc1C#N 510185807 NRZTYNJCAAWFIP-UHFFFAOYSA-N 428.561 5.260 30 20 IKED N#C[C@@H](C(=O)c1cc2ccccc2n1Cc1ccccc1F)c1nc2ccccc2s1 513656238 ZFLUNNIXPSWREQ-SFHVURJKSA-N 425.488 5.928 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OC)c(Br)c3)n2)cc1 516714201 UHXFLNPRMKFXKY-OAHLLOKOSA-N 443.322 5.080 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(N4CCCCC4)nc3)cc2)c1 518256910 RBEMIUPJWKVPFX-UHFFFAOYSA-N 427.508 5.058 30 20 IKED Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)CCCCOc1cccc(C#N)c1 518894560 KLUQPHYZZHSIPL-UHFFFAOYSA-N 430.552 5.538 30 20 IKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1F 519053507 KAQHZTOAVORDQB-QHCPKHFHSA-N 441.466 5.134 30 20 IKED C=CCN(C(=O)c1ccc(-c2ccc(F)cc2)cc1F)c1nc(C(=O)OCC)cs1 520680523 QOAGOGPUJHFVEY-UHFFFAOYSA-N 428.460 5.098 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccc(OCc3ccncc3)cc2)CC1 522071317 IXJBWRATFMJHTA-UHFFFAOYSA-N 442.519 5.044 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCc2nnc(-c3c(Cl)cccc3Cl)o2)n1 523226695 YPAVUZUINRPENI-UHFFFAOYSA-N 445.253 5.930 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2nc(-c3ccncc3)cs2)c1 524198612 ZDAZENJTVMDFCK-UHFFFAOYSA-N 446.919 5.452 30 20 IKED CC(C)[C@@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(F)cc1 533679701 ZBHBJZIKGUNNIS-GOSISDBHSA-N 426.542 5.219 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CC=C(C(F)(F)F)CC3)cc2Cl)c1 533854072 HFSAPOMCZIZYMB-UHFFFAOYSA-N 435.833 5.517 30 20 IKED C=C[C@@H](CC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1)c1ccccc1 533886600 VCWDKENXZBFPAM-QYBDOPJKSA-N 433.573 5.599 30 20 IKED N#C[C@@H](C(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1nc2ccccc2n1C(F)F 534691235 MQMBAFCSGIAQBF-SFHVURJKSA-N 430.414 5.174 30 20 IKED Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccccc2SC[C@H](C)C#N)c1 536927287 ZZXQVMRNVCZHBH-DENIHFKCSA-N 435.593 5.189 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)c1cc(F)c(Cl)cc1Cl 537040975 HFLHGAGTPDMWCP-STQMWFEESA-N 440.371 5.816 30 20 IKED C=CCC[C@@H](NC(=O)N1[C@H]2CC[C@H]1CC(N(C)C(=O)c1ccccc1)C2)c1ccccc1 537453385 CKDZFCTULKSWAY-SONWIMMPSA-N 431.580 5.171 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1 538351002 SRUGDYMENDKELW-JTHBVZDNSA-N 438.405 5.028 30 20 IKED COc1cc(CN[C@@H](C)c2nc(C(C)(C)C)cs2)ccc1OCc1cccc(C#N)c1 544486047 ATHUYSZTCCYYJS-KRWDZBQOSA-N 435.593 5.751 30 20 IKED N#Cc1ccc(Oc2ccc(-c3nc(Cc4ccc(Br)s4)no3)cc2)nc1 546286806 CYNFWRLKFKIPJC-UHFFFAOYSA-N 439.294 5.210 30 20 IKED N#Cc1ccc(SCc2nc(Cc3c[nH]c4cccc(Br)c34)no2)cc1 546491527 ILAFIBHYXNHRAV-UHFFFAOYSA-N 425.311 5.068 30 20 IKED C[C@H](NCc1cnc2ccc(C#N)cn12)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 551823096 CIYBJWGEBLLBKJ-AWEZNQCLSA-N 426.467 5.804 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1sc(Cc2ccc(F)cc2)nc1C 557612307 YKYPZVPLQTYVAP-UHFFFAOYSA-N 426.561 5.177 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 569995851 ABCKYMWHBFOJMG-KRWDZBQOSA-N 429.364 5.571 30 20 IKED C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(Oc2cccnc2)cc1 573312875 YBZVTTQSQCDTQM-SFHVURJKSA-N 439.471 5.409 30 20 IKED Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)Nc2ccc(C#N)c(F)c2)C3)cc1 574370280 YXCXLDFGJFPAFU-UHFFFAOYSA-N 443.482 5.240 30 20 IKED CC(C)(C)c1cccc(OCCCn2cc(C#N)c(=O)c3cc(Br)ccc32)c1 582513492 HNRLJHWQYQEHDK-UHFFFAOYSA-N 439.353 5.402 30 20 IKED C[C@@H](NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1cccc(C#N)c1 585745459 YFHZKFCGENNJBN-QVKFZJNVSA-N 431.458 5.105 30 20 IKED CN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 588996749 PEHALQZTALHYEK-IZAXUBKRSA-N 449.448 5.861 30 20 IKED Cc1ccccc1-c1nc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cs1 589829961 AXHLYFOTBWEIMC-HNNXBMFYSA-N 446.557 5.198 30 20 IKED N#C[C@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1nc2cc(F)ccc2s1 592974774 ZEYRYMDFJAPSME-LJQANCHMSA-N 439.471 6.247 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)c(C)c2c1 597791840 PEMXVRPMEWTNBO-IBGZPJMESA-N 428.410 5.276 30 20 IKED COc1ccc2cc(CN(C)C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)ccc2c1 603692609 NFNGICZPCKLMGO-UHFFFAOYSA-N 438.487 5.571 30 20 IKED CCn1c(CCNC(=O)c2ccccc2Sc2ccccc2C#N)nc2ccccc21 604482810 VCAIWPYWBCSQBD-UHFFFAOYSA-N 426.545 5.052 30 20 IKED CCOc1ccccc1[C@@H](C)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 604500477 GVFCJYPCXKMNHY-QGZVFWFLSA-N 428.492 5.092 30 20 IKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(-c4ccccc4)cc3F)CC2)c1 604537956 QSJIHPQWPCBGHB-UHFFFAOYSA-N 442.494 5.247 30 20 IKED O=C(c1ccc(-c2ccc(Cl)cc2)cc1F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 604962140 WRRYWGUTZIVDIE-UHFFFAOYSA-N 439.758 6.103 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1 608812355 NZXKCTZSCLJSPJ-FQEVSTJZSA-N 425.488 5.231 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H](c3ccccc3)[C@@H]3CCCO3)c2)cc1 608841748 VDURIAJDHJYXGQ-UIOOFZCWSA-N 441.531 5.373 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 608914838 BRZAUZMACVDNSY-BGYRXZFFSA-N 432.568 5.119 30 20 IKED COc1ccc(COCc2cccc(NC(=O)c3cc4ccccc4n3CC#N)c2)cc1 609167532 CEDNDMMJVXHTHP-UHFFFAOYSA-N 425.488 5.143 30 20 IKED Cc1c(C(=O)N(CC(C)C)c2ccc(C#N)cc2)cnn1-c1cccc(Br)c1 609262138 LIJAEZMJTLGHJZ-UHFFFAOYSA-N 437.341 5.118 30 20 IKED Cc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c(OCC(F)(F)F)c1 609501275 DMPCMWIJQLTAKK-UHFFFAOYSA-N 427.382 5.247 30 20 IKED CC(=O)Nc1cccc([C@H](C)NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 609722998 IDRHIPPETPATCU-HNNXBMFYSA-N 433.895 5.453 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccc(Cl)s3)o2)c1 610167629 VZJDHGUOJDPKHE-CQSZACIVSA-N 446.985 5.496 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCS[C@@H](c3ccccc3)C2)cc1F 610334552 BBLXMDKJCSZONG-HSZRJFAPSA-N 433.508 5.812 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC2(c3ccccc3)CCOCC2)cc1F 610335118 XBHZQDIAPKSVEH-UHFFFAOYSA-N 431.467 5.317 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@@H]3c3cccc(F)c3)cc2Cl)c1 611049098 SAJNFFWDAIJCGE-JOCHJYFZSA-N 435.886 5.909 30 20 IKED CCOc1ccc(Oc2cc(CNC(=O)c3c(Cl)cc(C#N)cc3Cl)ccn2)cc1 611094091 IORFVSHPBXFMGU-UHFFFAOYSA-N 442.302 5.381 30 20 IKED C=CCN1C(=O)c2ccccc2N[C@H]1c1cnc(-c2ccc(Br)cc2)s1 639403146 DSGNSZZJKXLHPO-GOSISDBHSA-N 426.339 5.325 30 20 IKED C=CCn1c(S[C@H](C(=O)N2CCCC[C@@H]2C)C(C)C)nnc1-c1ccc(Cl)cc1 639428729 ZQFUBNRACLSFDC-LPHOPBHVSA-N 433.021 5.302 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674551029 RUBRWZOTANTUFZ-HTQZYQBOSA-N 428.682 5.563 30 20 IKED O=C(c1ccc(-c2ccccc2C(F)(F)F)o1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 682749802 KUKHIGBQQGSEEW-VXGBXAGGSA-N 445.281 5.778 30 20 IKED N#CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3-c3ccccc3)C2=O)cc1 725904991 SRMABNBHBYEDTH-JWGURIENSA-N 428.538 5.662 30 20 IKED COc1ccc(C(OC(=O)c2cc3ccccc3n2CC#N)c2ccc(OC)cc2)cc1 729894699 PVJDVOHSSICJKW-UHFFFAOYSA-N 426.472 5.128 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C\c1cccc(OCC#N)c1 730150190 PLGSASUPMXKPDI-YHYXMXQVSA-N 439.334 5.680 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1 730475605 UALPKALAQMPMNC-FQEVSTJZSA-N 448.404 5.663 30 20 IKED C#CCOc1ccc(NC(=O)c2oc3ccccc3c2CSc2nnc(C)s2)cc1 730981098 DJTJESLSCKYSPQ-UHFFFAOYSA-N 435.530 5.149 30 20 IKED CC(=O)C1=C(c2ccc(Cl)cc2)N(Cc2cccs2)C(=O)N[C@@H]1c1cscn1 731428802 AWQCKXBFUKICSH-GOSISDBHSA-N 429.954 5.125 30 20 IKED O=C(/C=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)c(Br)c1 733084175 XOKWALKUYKJLDS-ALCCZGGFSA-N 433.258 5.516 30 20 IKED C#CCN(C(=O)Nc1ccc2scnc2c1)[C@H]1CCOc2ccc(Br)cc21 733630076 YJJSIEVGYZHMCC-KRWDZBQOSA-N 442.338 5.050 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)c1 733845689 VWSUAQSHDDQVRE-MRXNPFEDSA-N 427.373 5.343 30 20 IKED Fc1cccc(F)c1-c1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)o1 734363953 SOVIFVALWOSIMS-UHFFFAOYSA-N 430.867 5.644 30 20 IKED Cc1ccc(-c2nnc([C@H](C)OC(=O)c3cccc(COc4ccc(C#N)cc4)c3)o2)cc1 734585871 KJOSXBGAINLFGM-SFHVURJKSA-N 439.471 5.414 30 20 IKED C=CC[C@H](NC(=O)N[C@@H](C)c1ccc(OCc2ccccc2)c(OC)c1)c1ccncc1 734659390 BDEHBRFFLSFXIN-CVDCTZTESA-N 431.536 5.347 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C\c1cnc(C(C)(C)C)s1)C(=O)c1ccccc1 736432574 ATNSERJNLHQRQH-JWGURIENSA-N 446.616 6.470 30 20 IKED C#Cc1cccc(NC(=O)CNC(=O)c2c(Cl)cccc2Oc2ccccc2Cl)c1 742559822 UYLYQYFLDQTFDK-UHFFFAOYSA-N 439.298 5.136 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnc(-c3ccc(C)cc3C)s2)cc1 747111809 RVSSPPHBKFWPRS-IERDGZPVSA-N 431.561 5.902 30 20 IKED CC[C@H](CC(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)c1ccc(OC)cc1 752474649 XDHHRSTVEVQYTB-RDTXWAMCSA-N 435.549 5.044 30 20 IKED Cc1ccc(Cn2nc(C)c(/C=C/C(=O)c3ccc4c(c3)CCC(=O)N4C)c2Cl)cc1 754688982 CVBZLBPOBKDLHA-ZRDIBKRKSA-N 433.939 5.007 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccnc3Br)cc2Cl)cc1 758175829 JOKGMFZKUVYZOP-UHFFFAOYSA-N 428.673 5.414 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1 760800779 MEVCOQQBRPXJMA-NRFANRHFSA-N 428.435 5.478 30 20 IKED C[C@H](NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1ccc(C(C)(C)C)cc1)c1ccccc1 762439085 CMVUKVWPASOUSH-IBGZPJMESA-O 442.608 5.705 30 20 IKED Cc1nc(Cl)ccc1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 764123432 BKAUFRNLMUKHAI-UHFFFAOYSA-N 426.303 5.329 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc(C#N)cc1F)C(=O)c1ccccc1 772797243 NBNLLFZBFPOKBP-XQNSMLJCSA-N 426.491 5.727 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN2CCC(c3ccc(Cl)cc3)CC2)c1=S 774634666 CONPNAOUUBPJAV-UHFFFAOYSA-N 425.989 5.153 30 20 IKED N#CC1(NC(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)CCN(Cc2ccccc2)CC1 778113658 JYONKRFLBFSCGR-RMKNXTFCSA-N 447.888 5.047 30 20 IKED COc1ccc([C@@H](N[C@H](C)c2ccc(OCC#N)cc2)c2ccc(C(F)(F)F)cc2)cc1 779186582 YWMDBBMSTKXFFJ-OSPHWJPCSA-N 440.465 6.057 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)c4cccnc34)n2)cc1 780327123 FAJYFNZBGPDSIK-QGZVFWFLSA-N 444.903 5.139 30 20 IKED CCC(=O)c1ccc(OCCCCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 783359373 VWUTXZJQJAIWLS-SFHVURJKSA-N 440.952 5.968 30 20 IKED CC(=O)N(c1nc(/C=C2\COc3ccc(Cl)cc3C2=O)cs1)c1ccc(F)cc1F 783714491 KJUMKJHVIQENHA-WUXMJOGZSA-N 446.862 5.418 30 20 IKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCCC#N)cc1 784117522 HCQXHWBDCHPZFK-NRFANRHFSA-N 434.565 5.074 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CC[C@@H](C(F)(F)F)[C@@H]2C)c1=S 794663705 VCSHNQSAOFABGJ-XJKSGUPXSA-N 446.926 5.063 30 20 IKED O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)c1ccnc(F)c1 794719474 ARPWBYKTPDXGLQ-ZHACJKMWSA-N 437.430 5.076 30 20 IKED C=C(Br)CNC(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1 795624571 HJPPHJNCOGYMGR-UHFFFAOYSA-N 434.186 5.419 30 20 IKED N#CC1(CCCOC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)CCOCC1 800157016 LSHPQJRENZVFPT-UHFFFAOYSA-N 438.471 5.015 30 20 IKED C=C(C)Cn1c(SCC(=O)OCc2cccc(-c3ccccn3)c2)nnc1-c1ccco1 800975749 JXMFMOLILZJERG-UHFFFAOYSA-N 446.532 5.012 30 20 IKED Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1ncc(-c2ccccc2)s1 811632179 DJEFKHZANLBDEM-UHFFFAOYSA-N 432.361 5.546 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)s1 813447429 ROGZDEWFLXJOKG-AWEZNQCLSA-N 440.352 5.421 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(-c4cccnc4)nc4ccccc34)s2)cc1 875061837 MILVUENGEFCFLY-UHFFFAOYSA-N 447.523 5.468 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)/C=C\c1ccc2ccc(Cl)cc2n1 912873796 ROIRSFDAEAGDDS-BLIJAFNYSA-N 440.952 5.109 30 20 IKED C=CCOc1ccc(/C=C/C(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)cc1OC 914770083 ZUBZNPZDAQTVDJ-DHZHZOJOSA-N 433.548 5.012 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2ccc(S(C)(=O)=O)cc2)c(C)c1 914835511 HIDKESSUEHSEBT-UHFFFAOYSA-N 444.560 5.006 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)c1nc(-c2ccccc2)cs1 915102601 ZQUPROHJSUNHHR-QGZVFWFLSA-N 435.961 6.006 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(C3CC3)C2=O)c1 916211239 MTMQRHYYSDSOFE-LJQANCHMSA-N 427.957 5.080 30 20 IKED CCCCOc1ccc(C=Nn2c(C)nc3sc4c(c3c2=O)CCCCC4)cc1OC 916272959 OHJDKTSJPABKDX-UHFFFAOYSA-N 439.581 5.105 30 20 IKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Cl)cc1 916896794 AQKIDPIPJFZLCA-OAQYLSRUSA-N 448.906 5.197 30 20 IKED N#C[C@H](C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995663 CALBFMFXFSMSDY-COPLHBTASA-N 447.309 6.662 30 20 IKED CC(=O)N(c1nc(C=NNc2cccc3c2CCCC3)cs1)c1ccc(F)cc1F 917552043 NKPBAPJHLLPKTQ-UHFFFAOYSA-N 426.492 5.431 30 20 IKED Cc1cc(CSc2ccccc2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)on1 919825774 XFXBWAWFQTVPNW-UHFFFAOYSA-N 441.512 6.192 30 20 IKED Cc1c(C(=O)/C=C\c2ccccc2OCc2cccnc2)nnn1-c1cccc(Cl)c1 920388870 IVQFMPQMSZXRLH-QXMHVHEDSA-N 430.895 5.099 30 20 IKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc4ccccc4c3)cc2)CCC1 1787700787 JXXROMMNUUYGCO-HXUWFJFHSA-N 442.559 5.108 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccco4)no3)cc2)CCC1 1788420209 BTRSMBRPPLHFGS-UHFFFAOYSA-N 447.535 5.675 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)C34CC(C(F)(F)F)(C3)C4)CCC2)cc1 1791299194 XCLYHXGEVSUURE-UHFFFAOYSA-N 442.428 5.065 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C3CC3)cc2)[C@H]1c1cccnc1 1802499140 FWOKVPFQOFUUDD-RPBOFIJWSA-N 445.607 5.271 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](CC)c2ccccc2)[C@@H]1c1cccnc1 1806269774 QEQSMPOSUKEFOH-SDHSZQHLSA-N 447.623 5.274 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccccc3o2)[nH]n1 1814442974 FDQIUVZBIDDDQC-IBGZPJMESA-N 434.540 5.454 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cc(C)cs2)n[nH]1 1815894531 KVHQPTIVHACKFH-FPOVZHCZSA-N 440.613 5.173 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(C)CCCCC3)n[nH]2)c1 1822337572 YYTIOJAPTYDLFE-PGRDOPGGSA-N 447.583 5.313 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccs2)CC1 1825309451 JEOHDPGNDYBSJN-QHCPKHFHSA-N 428.642 5.069 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc(C(F)F)c2)CC1 1825401146 DFYIYEMJPCRTQW-QFIPXVFZSA-N 445.554 5.021 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc3ccc(C)cc3s2)CC1 1826202515 JPAAICVRPOPFPT-NQIIRXRSSA-N 439.625 5.050 30 20 IKED Cc1ccc(-n2c(SCC(=O)Nc3sccc3C#N)nnc2-c2ccccc2)cc1C 10212427 NDCCEODYPLKZNQ-UHFFFAOYSA-N 445.573 5.215 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1cccc(C)c1 10241173 ZGWMPYKVBJHFPF-SELVFMLMSA-N 436.625 5.005 30 20 IKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc3ccccc3c2)nnc1-c1ccc(F)cc1 10498245 ZBOKUTUYVDPYJD-QGZVFWFLSA-N 446.551 5.393 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)c(Cl)c1)=C(/S)Nc1ccc(F)cc1 10828676 YUBXZSWBNCWVPW-UHFFFAOYSA-O 448.370 6.033 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2c(C)cccc2C)cc1 11153262 HNHUVGDTZBCAFX-UHFFFAOYSA-O 430.018 5.919 30 20 IKED Cc1cc(N(CCC#N)C(=O)CSc2ncnc3sc(C)c(C)c23)ccc1Cl 11973235 BHIKTSSCJYEPMH-UHFFFAOYSA-N 430.986 5.309 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2nccn2Cc2ccccc2)n(C2CCCC2)c1C 12478792 JQJOXSCXGUHRSC-UHFFFAOYSA-N 433.581 5.067 30 20 IKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2cccc(O)c2)c(Cl)c1 22732694 YEGXMGPSFOBODT-UHFFFAOYSA-O 446.379 5.654 30 20 IKED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)Sc2nc(C(F)(F)F)nc3ccccc23)CC1 26514589 QFKRQOIHCTZYNN-LQZXRHCMSA-N 436.503 5.060 30 20 IKED CC(=O)CCc1ccc(OCCC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 58698231 IFHLSGNDBOTNRU-UHFFFAOYSA-N 428.488 5.280 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCN(c3cccc(C)c3)CC2)cc1 303122218 NKWAHMFUGVWURF-UHFFFAOYSA-N 442.519 5.022 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(COc2ccc3ccccc3c2)o1 303286413 AFBSVQYJBDMWIA-SFHVURJKSA-N 442.540 6.658 30 20 IKED CC(C)(C#N)CCN(Cc1ccco1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 410302338 YYNIYQUNCUGEPY-UHFFFAOYSA-N 434.867 5.083 30 20 IKED Cc1cc(Oc2ccc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)cc2)n[nH]1 426910545 ZZKIHWUTWRDYBD-UHFFFAOYSA-N 440.507 5.157 30 20 IKED Cc1noc(C[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c2ccccc2)n1 429527461 MCTFGNLRZVIKIR-QHCPKHFHSA-N 438.487 5.064 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCCc2cccc(C(F)(F)F)n2)cc1 432755625 DOCJIRHOKCIYTE-UHFFFAOYSA-N 426.398 5.129 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)[C@H]2OCCc3sccc32)cc1 432852093 LXLVILYVZVELJO-IQMFZBJNSA-N 449.532 5.245 30 20 IKED COc1ccc(NC(=O)N[C@H](c2cc(F)ccc2F)C(F)F)cc1OCC(F)(F)F 433248013 QGQCKORFUPBFDY-OAHLLOKOSA-N 440.315 5.042 30 20 IKED Cc1ccc(CN(Cc2cn(CCC#N)nc2-c2ccncc2)[C@H]2CCc3ccccc32)cc1 435126907 SGZMIRXLTDFRSC-NDEPHWFRSA-N 447.586 5.857 30 20 IKED CC(C)N(Cc1cccc(C(F)(F)F)c1)Cc1cn(CCC#N)nc1-c1ccncc1 435137281 KYKIJLOCXZARGB-UHFFFAOYSA-N 427.474 5.288 30 20 IKED Cc1nc2cc(Cl)c(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2s1 435186159 BYPUJTDWWYUPKE-UHFFFAOYSA-N 426.929 5.205 30 20 IKED CC(C)(C)OC(=O)c1ccc(CS(=O)(=O)Cc2ccc(-c3ccccc3C#N)cc2)cc1 435232246 JYNWWQBLPPDPGD-UHFFFAOYSA-N 447.556 5.296 30 20 IKED COc1cccc(-c2noc([C@@H](C)NC(=O)Nc3ccccc3S[C@H](C)CC#N)n2)c1 438070554 FCHCDTIBIHZXQR-HUUCEWRRSA-N 437.525 5.022 30 20 IKED Cn1nccc1[C@H]1CCCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 439513973 NWOGIHMWUFDQPC-JOCHJYFZSA-N 449.942 5.283 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H](C)c1cc(F)c(Cl)cc1Cl 439539705 DRUKILIGNXSYEY-KGLIPLIRSA-N 438.330 5.127 30 20 IKED N#CCC[C@@H](NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1)c1ccccc1 439670858 HUAAKVJMEPPWMB-OAQYLSRUSA-N 428.517 5.143 30 20 IKED CCOCc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 440423862 IIUVQMHFKRWJBQ-UHFFFAOYSA-N 445.544 5.078 30 20 IKED C=CCC[C@H](NC(=O)N[C@H](C)c1nnc2n1CCCCC2)c1ccc(C(F)(F)F)cc1 440817649 DHNKHOWKUYMYGO-QAPCUYQASA-N 435.494 5.091 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)Cc2ccc(NC(=O)C3CC3)cc2)c1 443884299 WMYVQDFJXMYAOE-UHFFFAOYSA-N 443.934 5.336 30 20 IKED CCN1CC[C@@H](N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C[C@@H]1C 444032854 LBIPEDHNRXCOMA-QFBILLFUSA-N 426.948 5.340 30 20 IKED C[C@H](c1cccc(C#N)c1)c1nc(-c2ccccc2-c2ccc(CN3CCCC3=O)cc2)no1 462837414 ZZMVDJHSYQGXOU-LJQANCHMSA-N 448.526 5.549 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)cc1 464344050 UWQSDAUSJJDIGS-GOSISDBHSA-N 432.520 5.744 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)C3(c4cccc(Cl)c4)CCOCC3)cc2)ccn1 464674433 PPTRZTCSNLWUHX-UHFFFAOYSA-N 433.895 5.086 30 20 IKED C[C@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1nc(C2CCCCC2)no1 464704507 MRALURMRFQRSKM-KRWDZBQOSA-N 430.508 5.059 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N(CCC(F)(F)F)CC(F)(F)F)c1 468515435 FMKHCJMZXHRUIO-UHFFFAOYSA-N 430.348 5.094 30 20 IKED Cc1sc([C@H](C)NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)nc1-c1ccc(Cl)cc1 471055118 GBVMORNWWFYIPN-LIRRHRJNSA-N 434.952 5.203 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 471690056 WUWCSDVBAQTKSL-NRFANRHFSA-N 445.563 5.518 30 20 IKED N#CC[C@H](CC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)c1ccccc1 476675667 KXLIWPRAIYTWTQ-QGZVFWFLSA-N 435.886 5.757 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(n2c(C)nc3ccccc32)CC1 477451069 AWYQQFYISJOPJW-UHFFFAOYSA-N 443.469 5.406 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)n2)cc1 477790841 LTBGWPNUMIJRBI-DEOSSOPVSA-N 449.535 6.467 30 20 IKED Cn1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1NC(=O)C[C@H](CC#N)c1ccccc1 480098130 ZPCMCRXFJGTIOZ-INIZCTEOSA-N 446.860 5.785 30 20 IKED C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccc(Sc2ccccc2C#N)cc1 480112969 XSPFNSGHKIICPE-BJLXPSRBSA-N 434.586 5.280 30 20 IKED N#CCCN(C(=O)c1cc2sc(N3CCCC3)nc2s1)C12CC3CC(CC(C3)C1)C2 484068304 CZKRHVIHHCQYCY-UHFFFAOYSA-N 440.638 5.283 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)nnc1-c1ccccc1C 488914804 RCECOJVCHRPFHK-SFHVURJKSA-N 448.592 5.398 30 20 IKED C=CCN(Cc1ccccc1)C(=O)c1oc2ccccc2c1CSc1nnc(C)s1 499391239 LRCHLUGAURRIFL-UHFFFAOYSA-N 435.574 5.713 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 505044626 CJKJTMJGOODPIG-UHFFFAOYSA-N 448.485 5.305 30 20 IKED N#C[C@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(OCc2ccccc2)cc1 505337453 IQFADVNJJDUAKA-NRFANRHFSA-N 445.569 5.374 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OCc4ccccc4)nc3)n2)cc1 508212265 ZDRPIQNOKLTPLY-NRFANRHFSA-N 425.513 5.583 30 20 IKED C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCSC2(CCOCC2)C1 508796789 XXCSAFLUKCJMAJ-UHFFFAOYSA-N 447.029 5.102 30 20 IKED N#Cc1ccc(-c2ccccc2)nc1SCc1csc(CC(=O)Nc2ccccc2)n1 510181282 PUBJQEPJCBCLTC-UHFFFAOYSA-N 442.569 5.550 30 20 IKED Cc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cnn1C1CCCCC1 510317838 ZMWXHWREPOQDSR-UHFFFAOYSA-N 428.536 5.594 30 20 IKED COCCN(Cc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511344199 WUTKMVHGKDDLNV-UHFFFAOYSA-N 429.520 5.012 30 20 IKED CN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@H]1CCc2ccccc2C1 512549073 LMABMROKNVHNCL-QHCPKHFHSA-N 429.495 5.298 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)N[C@H](C)c1ccc(C#N)cc1F 512642937 ULSIGGJYWULTNU-CHWSQXEVSA-N 444.373 6.304 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(COCC3CC3)c2)cc1 513869805 QGVQQMDGYYPNSG-UHFFFAOYSA-N 443.522 5.858 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H](COc4ccccc4Cl)C3)cc2)nc1 513879045 XVKVEVFEWXQKKL-IBGZPJMESA-N 447.922 5.330 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(CCc1ccccc1)c1nc2ccccc2s1 514607755 IEYZBWIOHUFDNU-GOSISDBHSA-N 427.529 5.211 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1Cl 514884877 SJJBWCQPFCCAIY-SFHVURJKSA-N 441.821 5.363 30 20 IKED Cc1ccc(C2(c3noc(/C=C/c4cn(CCC#N)c5ccccc45)n3)CCOCC2)cc1 515253769 SVVAKVMMZBPEPE-FMIVXFBMSA-N 438.531 5.513 30 20 IKED N#C[C@@H](C(=O)c1ccc(CNC(=O)c2cccs2)cc1)c1nc(-c2ccccc2)cs1 515542385 XISUTJRPIOUYDP-IBGZPJMESA-N 443.553 5.292 30 20 IKED Cc1ccc(-c2nc(CC(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)cs2)o1 515676393 BUUSGALVCUHJOQ-UHFFFAOYSA-N 442.500 5.017 30 20 IKED Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)s1 517379394 ALDSTHDARWJHCO-KRWDZBQOSA-N 434.565 5.630 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1csc(-c2cccs2)n1 517460560 KOHRDMBYPUMKSY-CQSZACIVSA-N 445.660 5.995 30 20 IKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)CSCc3ccc(C#N)cc3)c2)c1 518061930 PCMDVFXPWZKTLX-UHFFFAOYSA-N 444.560 5.060 30 20 IKED N#Cc1ccccc1COc1cccc(CNCc2nn(-c3ccccc3)c3c2CCC3)c1 518263371 JSGNOQIQLWOAKA-UHFFFAOYSA-N 434.543 5.101 30 20 IKED CCCCN(C(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[C@@H](C)c1ccccc1 519788203 CRHUNNAZOIXISR-IBGZPJMESA-N 442.519 5.074 30 20 IKED CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 520935583 IHCWKMLDUBCPNP-UHFFFAOYSA-N 439.924 5.053 30 20 IKED Cc1cc(NC(=O)c2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)n(CCC#N)n1 521009033 ZPKDDRQWXGFMCM-UHFFFAOYSA-N 439.475 5.337 30 20 IKED C=CCN(Cc1cccs1)C(=O)NCc1cc(Br)ccc1OC(F)F 522225242 QHZPTVNRHJAOMS-UHFFFAOYSA-N 431.302 5.010 30 20 IKED COc1cc(CS[C@@H](C)C(=O)N(C)c2ccccc2)ccc1OCc1cccc(C#N)c1 522628599 SQENEIJMFJTASF-IBGZPJMESA-N 446.572 5.431 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2ncccc2Br)n(C2CCCCC2)c1C 522901990 TWECYLPCDHXNRR-UHFFFAOYSA-N 447.402 5.370 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)NCCOc3ccccc3-c3ccccc3)o2)cc1 524377251 XZBWADIWFFPXLM-UHFFFAOYSA-N 438.483 5.206 30 20 IKED CN1CCC[C@H](CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@@H]1c1cccs1 525036055 OQICWRDUVOEVDK-HYBUGGRVSA-N 431.561 5.225 30 20 IKED CCCN(C(=O)C1CCN(c2oc(C)nc2C#N)CC1)[C@H](C)c1ccc(Cl)c(Cl)c1 530285554 JSCDZCNHAJAPEC-CQSZACIVSA-N 449.382 5.378 30 20 IKED Cc1cnccc1N1CCC(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)CC1 530731911 KMVCAIZXBLVUCP-UHFFFAOYSA-N 444.966 5.365 30 20 IKED C[C@H]1CO[C@H](c2ccccc2Cl)CN1CC(=O)Nc1ccccc1S[C@H](C)CC#N 533440560 DNHJJSJYJOCLRV-FVJLSDCUSA-N 444.000 5.135 30 20 IKED CN1CC[C@@H](CNC(=O)c2ccccc2-c2ccccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 534224298 IHOCKOITZLTOSI-UQBPGWFLSA-N 447.941 5.441 30 20 IKED C[C@H](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nc(-c2ccccc2)no1 534847411 GVWFOIXYMUZMKX-MRXNPFEDSA-N 442.450 5.073 30 20 IKED CN(Cc1nc(C(F)(F)F)cs1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 537006897 BSIKMPDVWBQIBG-UHFFFAOYSA-N 430.455 5.042 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 538026009 SBPCOXRISAZPOA-MJWYBRSISA-N 433.936 5.383 30 20 IKED Cc1c(C#N)c(NC(=O)CCN[C@H](C)c2ccccc2OC(C)C)n(Cc2ccco2)c1C 539225071 KDNWURNHJISHFJ-LJQANCHMSA-N 448.567 5.085 30 20 IKED Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)c12 539681125 YKECEFGAUMDKOA-QGZVFWFLSA-N 442.548 5.071 30 20 IKED C=CCn1c(SCc2nnc(C)s2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 540214190 YRGAWNMWPMKFJS-UHFFFAOYSA-N 444.582 5.211 30 20 IKED N#Cc1cccnc1Oc1ccccc1NCc1ccc(Br)c2cccnc12 541303448 UDZFEXNHPKMFHG-UHFFFAOYSA-N 431.293 5.668 30 20 IKED CC[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nnc2n1CCCCC2 542077971 LFOPZOPADMYFHR-FDDCHVKYSA-N 442.567 5.055 30 20 IKED N#CCCN(C(=O)CCC(=O)N1CCCCC[C@H]1/C=C/c1cccs1)c1ccccc1 542181169 XLOWMXKOCRADFF-TWLJRWAQSA-N 435.593 5.260 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)C(c1ccccc1)c1ccccc1 542558584 ALLXWBWIBMXOGP-SFTDATJTSA-N 443.616 5.830 30 20 IKED CSc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C 542995147 RDAPGWNVWCZXMY-KRWDZBQOSA-N 429.545 5.072 30 20 IKED C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(OC(C)C)CC1 549320435 RJQDNVBOIUBRNW-UHFFFAOYSA-N 426.605 5.259 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 572047610 OYRWUHZGMOGBEI-SFHVURJKSA-N 444.560 5.035 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1c(F)cc(C(F)(F)F)cc1F 579043484 HXIJQKNHHGPSEV-UHFFFAOYSA-N 445.281 5.653 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1c2ccccc2Oc2ccccc21 603738779 NRCGYGARCCKEJB-UHFFFAOYSA-N 433.467 5.930 30 20 IKED CCOC(=O)c1ccc(C#N)c(S[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)n1 603909809 RPKRADLRLFZUIV-INIZCTEOSA-N 431.517 5.236 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CC3)s2)cc1 608933591 DGTHHDFXQKXCKR-UHFFFAOYSA-N 427.451 5.295 30 20 IKED CCC[C@H](NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(Cl)c(Cl)c1 608993552 DZNIXOZUZMUZKU-FQEVSTJZSA-N 446.382 5.069 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N3CCc4sccc4[C@H]3c3cccs3)o2)cc1 609055288 BCKFXTXEFJIGGU-QHCPKHFHSA-N 446.553 5.641 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3ccc(F)c(Br)c3)cc2)c1 609063977 OMBSHGPEWWNRKK-UHFFFAOYSA-N 439.284 5.220 30 20 IKED COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)ccc21 609126441 LIJMRUIEAYMETN-UHFFFAOYSA-N 440.503 5.216 30 20 IKED Cc1nc(-c2ccsc2)ccc1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 609174351 LVSBKYCMMJNWOQ-RUZDIDTESA-N 439.540 5.692 30 20 IKED CCC(CC)CN(CCC#N)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 609187211 VCLQVKNYXWBAIA-UHFFFAOYSA-N 444.929 5.149 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 609296651 WPCQOPWILZVTCJ-MRXNPFEDSA-N 434.565 6.296 30 20 IKED CCn1ncc2c(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc(-c3ccccc3)nc21 609431587 PWHLBUVBIGNKET-QGZVFWFLSA-N 441.560 5.765 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 609431696 BWXKYEJDGBKLKE-LBPRGKRZSA-N 427.879 5.804 30 20 IKED CCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H](C)c1cccc(C(F)(F)F)c1 609499767 ZPNAHJRMLBUSFG-INIZCTEOSA-N 439.437 5.988 30 20 IKED COc1ccccc1[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccccc1 609505247 OQDWWKPCAIBKGG-SANMLTNESA-N 435.483 5.274 30 20 IKED COc1ccc2[nH]cc(CCNC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)c2c1 609602201 ANNRUKNPPFMOMQ-UHFFFAOYSA-N 426.476 5.205 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)NCc3cccc(OCC(F)(F)F)c3)c2)cc1 609643373 BITIJMXEBUWTJF-UHFFFAOYSA-N 440.421 5.008 30 20 IKED Cc1cc(N2CCOCC2)ccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 609722857 BMDOVQVBQAXAMR-UHFFFAOYSA-N 447.922 5.401 30 20 IKED C[C@@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)c1cc2ccccc2n1CC#N 610571543 RRDZUXRBVKLBNH-HXUWFJFHSA-N 448.526 5.137 30 20 IKED Cc1ccc(-c2nc3c(s2)[C@H](NC2CCN(c4ccc(C#N)cn4)CC2)CCC3)cc1 610809993 XYEBLDBNFPRMAP-OAQYLSRUSA-N 429.593 5.021 30 20 IKED Cc1cccn2cc(COc3ccccc3C(=O)[C@H](C#N)c3ccc4ccccc4n3)nc12 613292317 HHHXOQDBQCSUHD-JOCHJYFZSA-N 432.483 5.260 30 20 IKED N#C[C@H](C(=O)c1ccc(-n2cc(Br)cn2)cc1)c1nc(-c2ccccc2)cs1 613392443 QWCYKKGLRNAZNX-GOSISDBHSA-N 449.333 5.248 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1)c1nc2ccccc2o1 614439878 SRQDSHFBXFJRCJ-IBGZPJMESA-N 438.874 5.824 30 20 IKED N#Cc1ccc(N2CCC(NC(=O)Nc3ccc(Cl)cc3-c3ccccc3)CC2)nc1 615504483 AJZLAASVOZVBRV-UHFFFAOYSA-N 431.927 5.064 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C 615509839 RMWOKNJMHDCODO-UHFFFAOYSA-N 444.535 5.868 30 20 IKED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 618841747 BHZBBZROMHVYBB-WMZHIEFXSA-N 447.583 5.031 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)ccc1OCc1ccccc1Cl 642281503 LWTAUJWBERUCEU-KRWDZBQOSA-N 432.863 5.559 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1 642451808 FQEGFNFCQOROBU-UHFFFAOYSA-N 435.549 5.619 30 20 IKED O=C(Nc1cc(F)ccc1Oc1ccccc1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674564518 FPMFITIPWBSLQK-OKILXGFUSA-N 436.327 5.823 30 20 IKED O=C(CCN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)Nc1ccccc1C(F)(F)F 675953984 VJZOZKXYDIOQDH-PHIMTYICSA-N 436.318 5.097 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)nnc1-c1ccccc1OC 684999008 UWENOSXSDWPUEU-ZDUSSCGKSA-N 446.935 5.052 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2c(F)cccc2F)n1 726319349 GYWMLYREJVARMD-HNNXBMFYSA-N 439.487 5.174 30 20 IKED O=C1/C(=C/c2cccnc2Cl)CN(Cc2ccccc2)C/C1=C\c1cccnc1Cl 726363178 GNEIJYPCGVWMQX-ZIOPAAQOSA-N 436.342 5.335 30 20 IKED N#Cc1cnc2ccccc2c1OCCOC(=O)Cc1csc(-c2ccccc2Cl)n1 726366277 VGOOZNTVLYPBBC-UHFFFAOYSA-N 449.919 5.048 30 20 IKED Cc1ccccc1-c1ccc(CN(C(=S)Nc2ccc(C#N)c(Cl)c2)C(C)C)s1 726488673 YWYNOADRMZOQEM-UHFFFAOYSA-N 440.037 6.856 30 20 IKED Cc1nc2ccccc2c(=O)n1N=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 727058683 CYAXAWBCXKAJNL-UHFFFAOYSA-N 438.314 5.473 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1nc(-c2cccs2)no1 728061996 FZXDJOBMQGAWLO-CQSZACIVSA-N 436.924 6.075 30 20 IKED C[C@@H](C#N)Oc1ccc(/C=C(/Cl)c2nc(O)c3c(-c4ccccc4)csc3n2)cc1 728696088 MERXSCXKWREDHT-YRIIZNAFSA-N 433.920 6.092 30 20 IKED CCCN(CC)C(=O)c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 729176322 JILFTOVEHLCDNA-VWLOTQADSA-N 425.532 5.466 30 20 IKED N#CCOc1cccc(/C=C\c2nc3ccccc3c(=O)n2-c2ccc(OC(F)F)cc2)c1 730151998 WUSPAFXQDCTWMB-JYRVWZFOSA-N 445.425 5.060 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)Cc1ccccc1-2 731072694 CHYCWSPAXBBZRP-QGZVFWFLSA-N 442.540 5.305 30 20 IKED Cc1ccc(-c2csc3nc(SCc4ccc(OCC#N)cc4)n(C)c(=O)c23)cc1C 731156312 OJVGBUIFWGDSOG-UHFFFAOYSA-N 447.585 5.474 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(N4CCCCC4=O)cc3)cc2)c1 731399473 DASSLESZCQMMHL-UHFFFAOYSA-N 440.503 5.189 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN(C)[C@@H]2CCCc3nc(C)sc32)c1=S 732188210 BHIREAMFMLMAQA-GOSISDBHSA-N 446.045 5.652 30 20 IKED CCOc1ccc([C@H](NC(=O)NCc2cccc(O[C@@H](C#N)CC)c2)c2ccccc2)cc1 733807443 UVZRFMPFIILNNE-ZEQKJWHPSA-N 443.547 5.355 30 20 IKED C[C@H]1CN(c2ccc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)cc2)C[C@H](C)O1 734322921 PRFYHHOFPBMRQS-PMACEKPBSA-N 441.531 5.003 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(Cc2ccc(F)cc2)CC2CC2)c1=S 734478062 WEDAKMOKEJSVCX-UHFFFAOYSA-N 438.572 5.284 30 20 IKED CN(Cc1cccc(Br)c1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740059525 KIQFKBXRVWJOFU-UHFFFAOYSA-N 440.366 5.391 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F 741430046 INNVJQFTAOGKFC-GUDVDZBRSA-N 444.453 5.161 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 743447984 YTVYPGPKOGZUNL-ZWNOBZJWSA-N 440.352 5.206 30 20 IKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)O[C@@H](C)C(=O)Nc1cccc(C#N)c1 744676783 CLXRMZSLRBAUFR-LBPRGKRZSA-N 444.274 5.013 30 20 IKED C[C@@H]1C/C(=C/c2ccccc2)c2nc3ccccc3c(C(=O)Nc3cnn(CC#N)c3)c2C1 747434675 NFLSVQUTLQVDRS-CTBJKRMSSA-N 433.515 5.330 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@@H](OC(=O)/C=C/c1ccccc1C#N)C(F)(F)F 747773012 KXPDBUFQBSUIBI-CHHLAKQQSA-N 425.410 5.221 30 20 IKED CCOC(=O)N(C)c1ccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1 748296198 MOPCDMJZOWAENL-UHFFFAOYSA-N 431.517 5.554 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 750691082 OGBPRACNJOJUNX-WMZHIEFXSA-N 448.567 5.111 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2nccn2CCc2ccccc2)cc1 751543351 MVMJVBPZVLOYLR-VWLOTQADSA-N 435.531 5.103 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(Br)cc2Cl)cc1C#N 752153434 GDAYMGOMUTUGIB-UHFFFAOYSA-N 437.681 5.187 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3C[C@H](O)c3cccs3)cc2)cc1 754404071 QYLSVJNDRGBVMQ-OFNKIYASSA-N 432.545 5.335 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(-c3c(F)cccc3F)c2)cc1Cl 757410340 RYLDRWJTKLVFJO-MRXNPFEDSA-N 440.833 5.255 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1 760437520 ZCLVERVQMJHMHG-UHFFFAOYSA-N 435.483 5.431 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CCC(O)(c3ccccc3)CC2)cc1 760915438 NOVFOFWGHDJHGI-JEUPEJDTSA-N 425.532 5.294 30 20 IKED Cc1cc(C)n(-c2ccccc2CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)n1 761619111 NWZOTXIAWCNBDO-RUZDIDTESA-N 435.531 5.466 30 20 IKED CCc1cc[n+](/C(C(=S)Nc2cccc(Cl)c2C)=C(/O)c2ccc(C#N)cc2)cc1 762440373 XOOCLKHGFIILKY-UHFFFAOYSA-O 434.972 5.693 30 20 IKED N#C[C@H](C(=O)CN(Cc1cccc(-c2cccnc2)c1)C1CC1)c1nc2ccccc2s1 767429624 DVUNRYOQLQVDNI-JOCHJYFZSA-N 438.556 5.199 30 20 IKED CCCOc1ccc2[nH]cc(C=Nn3cnnc3SCc3ccc(Cl)cc3)c2c1 768354842 KVGYLNAMKRXKRL-UHFFFAOYSA-N 425.945 5.376 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(-c3cccc(C(F)F)c3)no2)CC1 771506687 DXQQNYYVLVVNDX-UHFFFAOYSA-N 437.406 5.178 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)n(-c3ccc(Cl)cc3Cl)n2)cc1 776516209 KXOKDDWMRDCVHR-KRWDZBQOSA-N 441.318 5.011 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 777287502 VQBXFXMUHQQBPW-FPOVZHCZSA-N 445.519 5.024 30 20 IKED COc1cccc2[nH]cc(CC(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c12 779193575 FVFSDZPNRYLRGV-CYBMUJFWSA-N 429.423 5.224 30 20 IKED N#C[C@H](C(=O)NCc1ccccc1)C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 780305907 QZLJDSVJOBFNCM-NRFANRHFSA-N 439.902 5.194 30 20 IKED C=CCCN(OCc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 782718308 VWPKBUGUPQANDT-UHFFFAOYSA-N 449.473 5.084 30 20 IKED C[C@@H](NC(=O)N(C)Cc1ccc(CN(C)C)cc1)c1ccc(-c2cccc(C#N)c2)cc1 782754100 SKOFPQPLHRGDLP-HXUWFJFHSA-N 426.564 5.189 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=S)Nc2cccc(OC(F)(F)F)c2)cc1 783727129 NWOSQSKHAYBPMG-UHFFFAOYSA-N 433.377 5.218 30 20 IKED CC[C@H](NC(=O)[C@H](C#N)C(=O)c1sc2nc(C(F)(F)F)ccc2c1C)c1ccccc1 787039506 GVRDXTMKJGGDRK-CVEARBPZSA-N 445.466 5.214 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cn1c(C(F)(F)F)csc1=O 789560425 MITOVIFRFZNKGH-UHFFFAOYSA-N 438.315 5.056 30 20 IKED N#CCCn1cc(CNc2ccc(OCc3cccc(F)c3)c(F)c2)c(-c2ccncc2)n1 789746181 IOMQXJGDAOTNSO-UHFFFAOYSA-N 445.473 5.328 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cscc1Br 794869940 GPQXGBHFBJRBQJ-UHFFFAOYSA-N 430.352 5.140 30 20 IKED Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)sc2ccc(C#N)cc12 796625040 XZGZWGLNVARUNN-GFCCVEGCSA-N 432.423 5.284 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cccc(C(=O)Nc2ccccc2)c1 796791682 ZWJOWXPRBFGFRO-HSZRJFAPSA-N 439.515 5.025 30 20 IKED Cn1c([C@@H](C#N)C(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)nc2ccccc21 805845631 NZJHRUHALYDNFE-RXVVDRJESA-N 446.551 5.042 30 20 IKED COc1cc(/C=C2/Cc3nc(Cl)ccc3C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 806579539 JQFICPNHXSXDKQ-YBEGLDIGSA-N 436.851 5.053 30 20 IKED N#Cc1cc(NC(=O)c2cc(Br)ncc2Cl)ccc1Oc1ccccc1 807287327 HYAGXYILHJUGMC-UHFFFAOYSA-N 428.673 5.414 30 20 IKED N#C[C@H]1CC[C@@H](COC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)CC1 809091863 PCDMSGPZZRRLLF-PHIMTYICSA-N 447.244 5.080 30 20 IKED O=C(O[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1ccc(-c2cncnc2)cc1F 809125791 AOYAJSCMTMMHQN-QGZVFWFLSA-N 444.306 5.762 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)CCc2cc(C(F)(F)F)ccc2Br)n1 815970678 HFJKKPPHTSCPJX-ZDUSSCGKSA-N 445.304 5.857 30 20 IKED C[C@@H]1C/C(=C\c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)N(C)CCC#N)c2C1 843418608 GBIIGBRCGAKUIL-AZZGVMCLSA-N 438.575 5.409 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 912646146 APUFMSVWJRLIJQ-UHFFFAOYSA-N 427.573 6.093 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CSc2cc(Cl)ccc2Cl)cc1Cl 916939307 PRFPWRQUKYNLDG-LBPRGKRZSA-N 443.739 5.095 30 20 IKED C[C@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)c1nnc(-c2cccc(Cl)c2)o1 917327630 KKLNNTBYHFVQJX-AWEZNQCLSA-N 449.850 5.352 30 20 IKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(Nc2ccccc2OC)sc1=S 917458243 YECAIHQYRAQMAJ-UHFFFAOYSA-N 425.583 5.168 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc3c(c2)OCO3)cs1 917561742 LVXLUWQJOFKBTI-YVMONPNESA-N 426.881 5.106 30 20 IKED N#Cc1ccc(S(=O)(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1Cl 917873918 UISQVHDCOBQHCF-UHFFFAOYSA-N 443.859 5.155 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN(C2CC2)[C@@H](C)c2ccc(Cl)cc2)c1=S 920305366 LDMONLVRLGYKLR-INIZCTEOSA-N 425.989 5.499 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(OC)cc(OC)c3)CCC2)cc1 1789456016 IPMXJYBTMQLEDH-DEOSSOPVSA-N 448.563 5.220 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3occc3c2)[C@H]1c1cccnc1 1809345887 IOVLBBZNVAKFJW-LADGPHEKSA-N 445.563 5.140 30 20 IKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[nH]n1 1822400556 NLIOWKBVXANOFF-LJQANCHMSA-N 443.507 5.033 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2OCC)CC1 1823754119 YNGHKKQBWVXUGS-QHCPKHFHSA-N 440.628 5.311 30 20 IKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1825424176 IVYRKZOUDGXZIU-AREMUKBSSA-N 445.607 5.027 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccsc2)CC1 1827101749 TZWKRRHFUFKYEE-JOCHJYFZSA-N 430.658 5.293 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2OCC)CC1 1829068587 GIDQCUCLRIRUCZ-QHCPKHFHSA-N 440.628 5.311 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C(F)(F)F)coc2C)CC1 1831370387 MCDJUQMVQSTQEF-DNVCBOLYSA-N 440.506 5.052 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)Nc1ccccc1Cl 10827205 UKMVEIBXYYPAPC-UHFFFAOYSA-O 438.016 6.364 30 20 IKED C=CCOc1c(Br)cc(CN[C@H](c2ccc(OC)cc2)C(C)C)cc1OC 24082879 GWFDJAPIBSWDMU-NRFANRHFSA-N 434.374 5.518 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3cccc(Cl)c3)o2)c1 26192952 CNLMTTCCVOGHME-MRXNPFEDSA-N 440.956 5.434 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(OCc2ccccn2)c1 26250784 BEWBLNQWWOJVMJ-UHFFFAOYSA-N 437.524 5.936 30 20 IKED C=CCn1c(S[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)nc2sccc2c1=O 59410164 PSHQSNDZHHLFNR-MRXNPFEDSA-N 447.585 5.750 30 20 IKED Cc1ccc(-c2ncc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)s2)c(C)c1 61161151 XODIEDUSBFGQBU-UHFFFAOYSA-N 429.467 5.503 30 20 IKED N#CCCN(C(=O)CCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1 111199763 WSUBBKMBMSNBCV-OAQYLSRUSA-N 444.362 5.384 30 20 IKED CCOC(=O)C1C/C(=C\c2ccc(O)c(Cl)c2)C(=O)/C(=C/c2ccc(O)c(Cl)c2)C1 209344621 IYUYNVLOICPSCE-BGPOSVGRSA-N 447.314 5.414 30 20 IKED CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 303153299 TVAYHJMEQINCSS-HXUWFJFHSA-N 433.533 5.962 30 20 IKED Cc1cccc(NC2CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)c1 303847952 KDNHAQGEJMDGQT-UHFFFAOYSA-N 441.600 5.876 30 20 IKED CCc1c(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cnn1CCC(C)C 427202239 BBQJDQBEXPEEAH-UHFFFAOYSA-N 432.572 5.138 30 20 IKED C=CC[C@@H](C(=O)NC1CCC(NC(=O)[C@H](CC=C)c2ccccc2)CC1)c1ccccc1 427629225 LRWVWNJHWMHDMB-CVQXOBEKSA-N 430.592 5.250 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(Br)c2F)cc1 428264925 FVFMIVCPBPORHP-UHFFFAOYSA-N 439.284 5.486 30 20 IKED COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1cccc(SCC#N)c1)CCO2 430626106 RDDYHCTWXHLRMM-DEOSSOPVSA-N 444.556 5.477 30 20 IKED COc1cc(Br)ccc1CCCNC(=O)N[C@@H](CCCC#N)c1ccccc1 431467999 BFOLJZYXDSGKOR-FQEVSTJZSA-N 444.373 5.125 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@@H](CC(F)(F)F)C3)cc2Cl)c1 434159850 OITIPUKIAKNFFR-INIZCTEOSA-N 437.849 5.597 30 20 IKED Cc1cc(Br)c(NC(=O)CSc2cccc(C#N)c2)c(Br)c1 435037157 MUKKMFPKROWNSF-UHFFFAOYSA-N 440.160 5.123 30 20 IKED C=CCC[C@H](NC(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1 435611240 REUYCZVCFVQHJT-DEOSSOPVSA-N 434.561 5.490 30 20 IKED CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 437051243 MEHYFOJZARYICU-DEOSSOPVSA-N 439.559 5.139 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)N[C@H]3C[C@H](c4cccc(C(F)(F)F)c4)C3)CC2)c1 438069748 VJWIEJSIRMJVGH-KESTWPANSA-N 443.469 5.076 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1F 438662870 GDZUOTOLAWAVSI-UHFFFAOYSA-N 444.510 5.276 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(C(=O)NC3CC3)c2)cc1Cl 439118903 XTNAAZCNFRYZSU-JOCHJYFZSA-N 429.907 5.140 30 20 IKED CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 442531671 CWYXLKIEFRXYAI-HFJQGTKSSA-N 435.593 5.095 30 20 IKED C=CC[C@@H]1N(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CCCC1(C)C 443872289 ZNVSLWFWLYYGSH-FQEVSTJZSA-N 436.518 5.151 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 447362497 DUSDKKOGWDGRPX-STQMWFEESA-N 436.364 5.061 30 20 IKED CCO[C@@H](C)c1nc(CC(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)cs1 460156140 SCQMFQLGPYRAKQ-INIZCTEOSA-N 439.968 5.542 30 20 IKED C=C(C)Cn1c(SCCCCCn2c(C)nc3ccccc32)nnc1-c1ccncc1 460874433 ONEZIDVKYBWFCW-UHFFFAOYSA-N 432.597 5.537 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)Nc1nc(-c2cc3ccccc3o2)cs1 461695522 ROQNACGKNFGCCF-UHFFFAOYSA-N 430.489 5.175 30 20 IKED N#Cc1cccc(-c2nnc(N3CCC[C@@H]3c3ccc(Cl)cc3)n2C[C@H]2CCCCO2)c1 461847162 XNEVNDMMIRJUQG-DHIUTWEWSA-N 447.970 5.381 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)cc1F 462672936 DVHVHOBNRAVNKA-YKSBVNFPSA-N 431.467 5.531 30 20 IKED Cc1ccc(-c2nc(CNC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)co2)cc1 465191233 LCVAKBXUGCPWDZ-UHFFFAOYSA-N 427.435 5.383 30 20 IKED C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 467747854 VKKCUPNUFIBMPP-LDLZHSJESA-N 434.605 5.252 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3C[C@H]3c3cccc(C(F)(F)F)c3)ccc21 469950517 NGMUZPGUFHNATH-PMACEKPBSA-N 441.453 5.031 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CNc2ccc(C)c(Oc3cc(C)ccn3)c2)cc1 470553078 HZCPPWPOXFXYCH-UHFFFAOYSA-N 444.535 5.248 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H](C)O[C@@H](c2ccsc2)C1 470779318 MRCMLBJSHWVFOA-GAJHUEQPSA-N 433.533 5.714 30 20 IKED C=C(C)CN(Cc1ccccc1)Cc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1 470925431 HCXJIRYGMJSVCY-UHFFFAOYSA-N 425.985 6.059 30 20 IKED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c1 475341223 AQFGIHOACLSHIA-JOCHJYFZSA-N 445.906 5.134 30 20 IKED C=C(C)COc1cccc(NC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)c1 476772514 UXDMUJSIIZUKSY-UHFFFAOYSA-N 426.875 5.336 30 20 IKED COc1ccc2ccccc2c1-c1cc(CNC(=O)c2cccc(SCC#N)c2)on1 478790503 ALVNVXZKOCEWOQ-UHFFFAOYSA-N 429.501 5.049 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N(CC(C)C)c3ccc(C#N)cc3)c12 480089581 ACJSDZPHHFZPHD-UHFFFAOYSA-N 431.584 5.793 30 20 IKED CCc1ccc([C@H]2COCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)o1 480657158 DBXJTPFYNUEPJG-XMMPIXPASA-N 445.519 5.207 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(Cl)c3N3CCOCC3)c2)cc1 482053182 MQPDDEQPBGASEZ-UHFFFAOYSA-N 433.895 5.093 30 20 IKED C=CCN(CC1CCCCC1)C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 482911367 PPKUJNMMMXMQJY-UHFFFAOYSA-N 436.518 5.153 30 20 IKED N#C[C@@H](C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1cnc2ccccc2n1 483229869 LLHUMYZFRJJLQO-GOSISDBHSA-N 426.863 5.026 30 20 IKED N#CC[C@@H](CC(=O)Nc1ccccc1Oc1ncc(Cl)cc1Cl)c1ccccc1 483307288 NDFZSBDEJHKMGN-INIZCTEOSA-N 426.303 6.207 30 20 IKED COc1ccc([C@H](NCc2ccc(C#N)cc2OC)c2ccc(C(F)(F)F)cc2)cc1 486215635 COFFORNHSZJBAV-HSZRJFAPSA-N 426.438 5.473 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccnc(Oc2ccccc2F)c1 488307037 JSUNPDQWEQJCRK-INIZCTEOSA-N 436.512 5.586 30 20 IKED COC(=O)c1cccc(-c2nc(CSc3nc(C(F)(F)F)ccc3C#N)cs2)c1 488750418 GTJCGRNZDZOIHR-UHFFFAOYSA-N 435.452 5.174 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)nnc1-c1cccs1 489435115 MDMUKMULLXRVCF-ZDUSSCGKSA-N 427.530 5.543 30 20 IKED COc1ccccc1C(C)(C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 491551701 ZAMDUJCXKGRVSD-UHFFFAOYSA-N 433.483 5.342 30 20 IKED Cc1c(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)sc2ccc(C#N)cc12 494984929 UHEOSQBZFYHAGZ-UHFFFAOYSA-N 448.935 5.590 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CSc1ccc(F)c(F)c1 497676116 KFDKBTSMJWJQFE-UHFFFAOYSA-N 426.463 5.610 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)c2ccccc21 498888597 GJUWDLWUTZSYNZ-UHFFFAOYSA-N 448.324 5.146 30 20 IKED C[C@@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(Br)cc1 499608435 IWSDBNMZSWMFJU-QGZVFWFLSA-N 449.348 5.836 30 20 IKED CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N 503274273 HGWAAQBDFYDAMI-KKSFZXQISA-N 444.000 5.386 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c12 503854746 FQTDLAIQKHFEPA-UHFFFAOYSA-N 438.487 5.236 30 20 IKED CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1cc(C#N)ccc1F 507800643 DEPQHBIYMLFSHW-UHFFFAOYSA-N 427.829 5.219 30 20 IKED COc1cccc(/C=C(\CC(=O)N(C)c2ccccc2C#N)c2nc3ccccc3s2)c1 508096083 KDNAXDFXLFQQNP-XSFVSMFZSA-N 439.540 5.770 30 20 IKED O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@H]1C[C@@H]1C(F)F 509307849 UWIFWGCXPZCDGJ-GUBZILKMSA-N 429.229 5.345 30 20 IKED CCN(C[C@@H](C)C#N)C(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 509715189 OGBZRECUEZFJNE-ZDUSSCGKSA-N 437.443 5.387 30 20 IKED C=CCN1CCC(NC(=O)C(C)(C)c2csc(-c3c(Cl)cccc3Cl)n2)CC1 510297786 JHNFVEGUXXLJDD-UHFFFAOYSA-N 438.424 5.161 30 20 IKED C=C(C)CN(Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1)Cc1ccc(CO)o1 512213766 SOAMJQVEQLWAGB-UHFFFAOYSA-N 445.972 5.145 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(CCN3CCCC3)cc2)c1 513477651 UIKYMLROBGTGTD-UHFFFAOYSA-N 425.532 5.028 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)n1 513670692 AFGYHHNAFAESDE-OAHLLOKOSA-N 426.885 5.115 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4nc5ccccc5s4)cc3)o2)cc1 513686682 DJRKXEWYWFILTD-IBGZPJMESA-N 436.496 5.812 30 20 IKED CC(C)Oc1cccc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 514110173 ANAZAZUXZSMSAR-HXUWFJFHSA-N 445.538 5.958 30 20 IKED CC(C)(C)CCCCNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 517944001 ODYVXMDCWZPBOB-HXUWFJFHSA-N 425.960 5.267 30 20 IKED CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 519442431 KMRFZOKEYDCPAU-SJORKVTESA-N 441.622 5.255 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 519450387 DPDDAXVSBKTLBY-GOSISDBHSA-N 443.016 5.332 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCC(=O)CCC(=O)c3cccs3)cc2)cc1 520607690 UOHQMUXCGAEYOX-UHFFFAOYSA-N 432.501 5.363 30 20 IKED COc1cc(Cl)c(S(=O)(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1Cl 521328057 GDLIODGFKGRUKI-NSHDSACASA-N 431.366 5.197 30 20 IKED CC(=O)N1CCc2cc(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)ccc21 522576797 DMNILVWEUXWESJ-UHFFFAOYSA-N 431.879 5.165 30 20 IKED Cc1ccc(Nc2cccc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)c2)nn1 522876878 DPSVMVUYAYULPD-UHFFFAOYSA-N 435.487 5.232 30 20 IKED CCc1sc(NC(=O)c2occc2COc2cccc(C#N)c2)nc1-c1ccccc1 523274213 WMINNVNHQICAPR-UHFFFAOYSA-N 429.501 5.668 30 20 IKED COc1c(C)cc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1C 524440017 VEABBYAPULNEIU-UHFFFAOYSA-N 443.547 5.735 30 20 IKED CC(=O)c1ccc(Oc2ccc(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc2)cc1 527187834 ZISBACXOCCYEMF-UHFFFAOYSA-N 440.499 5.237 30 20 IKED C=CCN(C(=O)c1cc2c(OC)ccc(Br)c2[nH]1)c1nc2c(s1)CCCC2 531494389 ZJHILARWANNYOA-UHFFFAOYSA-N 446.370 5.107 30 20 IKED CC(C)Cn1ncc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C(F)F 534639580 CAZFJIAFFAKCTK-GOSISDBHSA-N 442.897 6.038 30 20 IKED C[C@@H](CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1nc(-c2ccccc2)no1 534825092 ZXIHTPJTAQMUJR-KRWDZBQOSA-N 439.475 5.326 30 20 IKED CC1CCN(CCc2cccc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c2)CC1 536720271 BQHZEEWBMJUZBB-UIOOFZCWSA-N 430.596 5.265 30 20 IKED CC(C)[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(Cl)cc1F 541930173 FKPQROZZOFRWRE-HSZRJFAPSA-N 429.923 5.019 30 20 IKED N#CCC1CCN(C(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)CC1 541973457 HHNPHRUIIGKGNR-UHFFFAOYSA-N 430.371 5.758 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(C)s2)nc2sc(-c3ccccc3)cc2c1=O 551027816 XTSGMOHNVBJKPP-LBPRGKRZSA-N 426.592 5.324 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C 554447407 TVYYNQLWLXUIDN-UHFFFAOYSA-N 425.577 5.367 30 20 IKED C=CC1CCN(c2nnc([C@@H](C)Oc3ccc4ccccc4c3)n2C[C@@H]2CCCO2)CC1 555393419 ACRPGQMLAQREDW-DVECYGJZSA-N 432.568 5.153 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)Cc1coc(-c2ccc(Cl)cc2)n1 560784178 UTRSWCOWWHKINW-UHFFFAOYSA-N 427.891 5.643 30 20 IKED C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 567523212 QLCYCRLFEOJEEX-LHEBDHONSA-N 448.514 5.085 30 20 IKED CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1SCc1ccc(C#N)cc1 567718577 HJDXCRXQOBWPIL-UHFFFAOYSA-N 431.517 5.073 30 20 IKED C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(c2ncc(C)s2)CC1 574534364 AJGTYJZLNNWSRY-UHFFFAOYSA-N 446.580 5.325 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3CCC(F)(c4ccc(Cl)cc4)CC3)CC2)c(F)c1 583207997 VNZMDMWHYNTIFT-UHFFFAOYSA-N 443.925 5.055 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2sc(C(C)(C)OC)nc2C)cc1 589368123 LTTKHSFXAFZXII-UHFFFAOYSA-N 437.521 5.258 30 20 IKED CCc1cc(C#N)c(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)s1 604029019 FBQNOXWVJBPVAO-UHFFFAOYSA-N 431.311 5.369 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)NCc3ccnc(Oc4ccccc4)c3)s2)cc1 604454552 GJEQOBGSLYGRFL-UHFFFAOYSA-N 441.516 5.115 30 20 IKED N#CCc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccc3ccccc3c2)cc1 604565516 WBMHDNOOIUXDQY-DFCKQENNSA-N 437.543 5.318 30 20 IKED CO[C@H](C)c1cccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 608883182 WECFLWHAAWPVNZ-QGZVFWFLSA-N 445.544 5.249 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@H](C)c1cc(F)ccc1F 609079286 UGDCBSBPZIZESC-QGZVFWFLSA-N 435.474 5.949 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cccn3Cc3cccs3)cc2F)c1 609109877 BXQZWZVHWCVJLI-UHFFFAOYSA-N 431.492 5.440 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)CCCc3nc(-c4ccc(F)cc4)no3)c2)cc1 609177431 SXVYIOKGVJDNNW-UHFFFAOYSA-N 442.450 5.501 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)[C@@H]3CC=CC[C@@H]3c3nc4ccccc4s3)CC2)c1 609184833 IGWBYZJITOXQOL-FCHUYYIVSA-N 443.572 5.288 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(C(=O)OC(C)(C)C)CC1 609206882 LHYNEWYYBLCOCX-UHFFFAOYSA-N 435.524 5.245 30 20 IKED CC(C)(C)C[C@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccc(F)cc1 609405055 WYTWWYJYSKKNNW-IBGZPJMESA-N 427.545 5.064 30 20 IKED Cc1cc(Br)cc(C)c1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 609501787 CLYRSDLOHKVGQZ-UHFFFAOYSA-N 435.321 6.177 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3Br)c(Cl)c2)cn1 609644050 HRJVMXWQGPMNFG-UHFFFAOYSA-N 428.673 5.414 30 20 IKED N#CCCn1ccc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2)CCC3)n1 609789583 QSIJKZCJKJKFFD-ZZEZOPTASA-N 433.515 5.474 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Nc2ccc(O[C@H]3CCOC3)cc2)cc1 610093329 CGHLLNZXLDVPMK-DEOSSOPVSA-N 443.503 5.143 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCn4c(cnc4C4CCCCC4)C3)cn2)cc1 611488086 MBZQBAMPROUCTO-FQEVSTJZSA-N 441.535 5.191 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2F)nnc1-c1ccc(Cl)cc1 617896484 SSNAHIBSNAAOPF-AWEZNQCLSA-N 430.936 5.351 30 20 IKED C[C@H](Oc1ccc2ccccc2c1)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccccc1 619817477 JIDJWFDFRQNONV-AFMDSPMNSA-N 441.510 5.062 30 20 IKED Cc1cc(F)ccc1C(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517792 OXEJFINVCKFCRE-QGZVFWFLSA-N 435.339 5.385 30 20 IKED N#C[C@@H](C(=O)c1cncn1-c1ccc(F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 642282064 IEUPCQNOILTJED-AWEZNQCLSA-N 430.386 5.130 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc(OC)c1OC 656500776 IEMUSQDCLKNJMV-UHFFFAOYSA-N 431.492 5.329 30 20 IKED COc1ccc(-c2n[nH]cc2C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 680985683 NAVRVMYARHOPRS-CQSZACIVSA-N 442.422 5.204 30 20 IKED Cc1sc(CNC(=S)Nc2ccc(C#N)c(Cl)c2)nc1-c1ccc(Cl)cc1 726475847 SBSGAKDDMJZVNM-UHFFFAOYSA-N 433.389 5.784 30 20 IKED C[C@H](Sc1nnc(Cc2cccc(F)c2)o1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 727654931 XLJRAPKOEMCUKH-JTMDUIFQSA-N 437.540 5.161 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 728016714 SGEIWIMVJKHOFK-VAWYXSNFSA-N 438.936 5.512 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1 728062770 POCUACCDECGZPF-HXUWFJFHSA-N 427.548 6.008 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)CCc2nc(-c3ccc(F)c(C)c3)no2)c1 728181804 CXUMYEMGROMDGD-UHFFFAOYSA-N 445.519 5.393 30 20 IKED C#Cc1cccc(N(Cc2ccccc2)C(=S)NC2CCN(Cc3ccccc3)CC2)c1 728227676 SMMSCBCVHMMELB-UHFFFAOYSA-N 439.628 5.214 30 20 IKED CCN(CC)C(=O)COc1ccc(C(=O)/C=C\c2csc(-c3cccs3)n2)cc1 728439793 OKBNOVFMUVGKNC-XFXZXTDPSA-N 426.563 5.015 30 20 IKED Cc1ccc(Cl)c(N2C(=O)/C(=C\c3cccc(OCC#N)c3)SC2=S)c1Cl 728609867 APFROBFIUIJXIO-XNTDXEJSSA-N 435.357 5.610 30 20 IKED C=CCOc1ccc(/C=C/C(=O)N(Cc2cccc(C)c2)Cc2ccccn2)cc1OC 729251586 UOPYMHQOLIOMOM-WYMLVPIESA-N 428.532 5.206 30 20 IKED Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C\c1cccc(OCC#N)c1 730148647 IUYGJQAPRRCJQB-KTKRTIGZSA-N 439.334 5.680 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1COc1ccc(Cl)cc1 731400747 SYCXZMGTUURHAX-AEFFLSMTSA-N 429.973 5.810 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(c2ccc(C)c(F)c2)C(=S)N[C@H]1c1cscn1 731430165 IUBJLNRBSWCACU-FQEVSTJZSA-N 441.528 5.166 30 20 IKED CON=Cc1ccc(C(=O)Nc2ccc(Cl)c(Cn3c(C)nc4ccccc43)c2)cc1 732146101 JRRPBDLVESOGJT-UHFFFAOYSA-N 432.911 5.279 30 20 IKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1nc2ccccc2s1 734208840 VCDAJZXWIKCGLZ-KRWDZBQOSA-N 442.544 5.824 30 20 IKED Cc1cc(C(=O)NC(C)C)ccc1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740444890 SETIJGWAGXTLPB-UHFFFAOYSA-N 432.549 5.055 30 20 IKED CC(C)=CC(=O)NCc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 742578063 KLNCRBLPQRGJHC-UHFFFAOYSA-N 425.488 5.185 30 20 IKED COc1ccc2ccccc2c1C=Nn1c(S)nnc1COc1ccc(C(C)C)cc1 744807151 MYCYRQCWUVUZJN-UHFFFAOYSA-N 432.549 5.313 30 20 IKED COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C/C(=O)c2ccc(OCC#N)cc2)cc1 747094184 DXOMRPMEVBTONP-LFIBNONCSA-N 449.510 5.405 30 20 IKED N#Cc1ccccc1N1CCC(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC1 747336112 NLFCGABPVZYUIV-VWLOTQADSA-N 427.573 5.177 30 20 IKED FC(F)(F)c1cc(NN=Cc2c[nH]nc2-c2cccc(Cl)c2)nc(-c2ccncc2)n1 755732726 IVCHXVQMGDJRNV-UHFFFAOYSA-N 443.820 5.047 30 20 IKED Cc1cccc(N(CCC#N)C(=O)CNc2ccc(Cl)cc2[C@@H](O)c2ccccc2)c1C 759777495 RRUZLSKIZRZCOD-SANMLTNESA-N 447.966 5.397 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)s2)cc1 761688592 NQPIVFVMEZLETN-GCJKJVERSA-N 446.576 5.143 30 20 IKED O=C(CC1CCCC1)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 764754962 MWSJMBXIZZUDAX-UHFFFAOYSA-N 442.240 5.552 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 767979640 DLWXYLKOXWIXGU-DEOSSOPVSA-N 445.563 5.220 30 20 IKED CCOC(=O)c1oc2ccccc2c1CNC(=O)Nc1ccccc1S[C@@H](C)CC#N 775614875 MXEKGYGEDRWDGV-HNNXBMFYSA-N 437.521 5.325 30 20 IKED C=CC[C@H](C(=O)OCc1csc(N(C(C)=O)c2ccc(C)cc2C)n1)c1ccccc1 778425911 ABFCRWQKXRXMFO-QFIPXVFZSA-N 434.561 5.848 30 20 IKED N#C[C@H](C(=O)CCCCC(=O)c1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)cs1 778607631 YUVNZOZSISLVDL-LJQANCHMSA-N 440.927 6.222 30 20 IKED CC(C)(C)n1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(Br)n1 779873020 PRNHLRAGVMHCKU-UHFFFAOYSA-N 439.313 5.317 30 20 IKED Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)Nc1ccccc1O[C@@H](C)C#N 780672329 BKRGHTDFIKCAKP-YJBOKZPZSA-N 429.952 5.161 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 780675085 SUXMHANVPCEZCC-BZNIZROVSA-N 431.336 5.421 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 780675921 WHTRBTKLKAPCRF-IFXJQAMLSA-N 436.512 5.439 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2cccc(OC3CCCC3)c2)cc1 783214064 YFBVQZGRONKDJI-RUZDIDTESA-N 439.515 5.241 30 20 IKED N#C[C@H](C(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1)c1nc2ccccc2n1C(F)F 784491243 AULAWMHEZGCVLY-OAHLLOKOSA-N 449.379 5.529 30 20 IKED COc1ccc2c(c1)CN(C(=O)Nc1ccccc1O[C@H](C)C#N)[C@H](C1CCCCC1)C2 787434965 XRDZHDJERVHGDL-KOSHJBKYSA-N 433.552 5.525 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)N1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1 791842222 UFWJAARDVGJTMP-LJQANCHMSA-N 435.421 5.896 30 20 IKED CN(CC(=O)[C@H](C#N)c1nc2ccccc2s1)Cc1ccc(Br)cc1Cl 792416715 ZGFPSSNNORRKDH-AWEZNQCLSA-N 448.773 5.020 30 20 IKED COc1cc(OC)cc(Oc2ccc(/C=C/C(=O)c3ccc(C(=O)N(C)C)cc3)cc2)c1 792923424 JLBTZRZLPBOTRP-VGOFMYFVSA-N 431.488 5.094 30 20 IKED CC[C@H](C#N)Oc1cc(CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)ccc1OC 797435461 RTVXGHIBMBTROF-GOSISDBHSA-N 436.443 5.098 30 20 IKED C=CCCc1ccccc1NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 800151260 FFPYHDRJUQYVEW-UHFFFAOYSA-N 437.277 5.580 30 20 IKED CS[C@@H]1CC[C@@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)C1 806791987 JQAJZQQECPQKMR-ZIAGYGMSSA-N 440.516 5.030 30 20 IKED C[C@@H](SC1=NC(=O)/C(=C\c2csc3ccccc23)S1)C(=O)Nc1ccccc1C#N 814774060 XVYLYZUXQUOBBT-BUESGFEBSA-N 449.582 5.504 30 20 IKED Cc1ccc(-c2nnc3n2CCCCC3)cc1NCc1cc(C#N)ccc1Br 864002008 BCPCEHGVHAQBII-UHFFFAOYSA-N 436.357 5.226 30 20 IKED Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)n2)n1 915087397 TVJDAMGEOSQEKU-OAQYLSRUSA-N 441.922 5.445 30 20 IKED Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(C)c1 915351860 CNZFUWSDNWSTQI-DEOSSOPVSA-N 440.547 5.370 30 20 IKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2ccc(C#N)cc2)c1 916134133 CUDIKVFXLHGNSQ-OWBHPGMISA-N 435.483 5.324 30 20 IKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 916882813 CZIBMQPACFTVIL-SFHVURJKSA-N 439.487 5.323 30 20 IKED CCOc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3c(CC)cccc3CC)cs2)cc1 916905162 BFCKYLHGNYCXFN-HXUWFJFHSA-N 447.560 5.295 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3ccccc3OC(F)(F)F)n2)cc1 916974401 KMOLXRDMNOMEKQ-MQNTZWLQSA-N 428.435 5.907 30 20 IKED COc1ccc(-c2nnc(S)n2N=Cc2ccc(F)c(-c3cccs3)c2)cc1OC 917541987 KHQWEUAZUUJOBL-UHFFFAOYSA-N 440.525 5.001 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(OCC#N)c1 920022823 AFUXHHHEEHRKOC-AWEZNQCLSA-N 427.913 5.158 30 20 IKED COc1ccc2c(c1)CCC[C@@H]2CC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 920108940 ZNFHNLFFZJXDPA-FOIQADDNSA-N 444.503 5.167 30 20 IKED Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1csc(-c2ccsc2)n1 920365374 VCMCIOJEHNNVON-UHFFFAOYSA-N 438.390 5.608 30 20 IKED C[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1)n1cccc1 1791792283 WQLDCMHGWHTUPC-PMACEKPBSA-N 440.547 5.124 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)C1 1804857685 RKVRSTWEWMDTHY-UHFFFAOYSA-N 449.595 5.179 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCC2CCCC2)[C@@H]1c1cccnc1 1810496066 ZXYONDDBEMUBSE-LADGPHEKSA-N 425.617 5.050 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1814830256 URZYFTIISQICEB-WZONZLPQSA-N 445.567 5.111 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3[nH]c(C)cc3c2)n[nH]1 1821582018 MNFYTUTYKLLHOD-HSZRJFAPSA-N 445.567 5.274 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCOc2ccccc2)CC1 1829066099 NTLLJUWXLXUAGW-XMMPIXPASA-N 440.628 5.068 30 20 IKED N#CCCC(=O)N1CCCC12CN(C(=O)CCCCCCCCCCc1ccccc1)C2 1842815395 UVADWMSBQHUFHW-UHFFFAOYSA-N 437.628 5.247 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc3c(c2)CCCC3)cc1 10173247 IBNHNPNMZNBGCE-UHFFFAOYSA-O 429.609 5.829 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc(OC)c(O)c1)C(=O)c1ccccc1 18064916 HWBVPHQRAMYYQC-CJLVFECKSA-N 429.516 5.431 30 20 IKED C=C(C)CN/C(S)=C(/C(=O)c1ccc(Cl)s1)[n+]1ccc(Cc2ccccc2)cc1 22796589 IGQRVBVEOFCPMT-UHFFFAOYSA-O 442.029 5.384 30 20 IKED C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(NC(=O)C2CC2)cc1 30394631 DOIZBECUVBUGOS-KRWDZBQOSA-N 441.556 5.549 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)CCCc3nnc(-c4ccccc4)o3)c2)c1 32291576 JMOYOWXKPANERQ-UHFFFAOYSA-N 438.487 5.149 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)nnc1C1CC1 35767153 HQQBICNRGVABKC-NEPJUHHUSA-N 425.385 5.006 30 20 IKED C=CCn1c(SCc2ncc(-c3ccc(OC)cc3)o2)nnc1-c1ccc(OC)cc1 41647510 JXITWRRJXMPWQV-UHFFFAOYSA-N 434.521 5.096 30 20 IKED C=C(Br)CSc1nnc(-c2ccccc2OC)n1CCc1ccccc1 59925046 YNMIQQLPTGCDRU-UHFFFAOYSA-N 430.371 5.197 30 20 IKED CC(C)(Oc1ccc(Cl)cc1)/C(O)=N/c1ncn(Cc2cccc(Br)c2)n1 64463363 XGUMTODWNFQTIL-UHFFFAOYSA-N 449.736 5.188 30 20 IKED CCc1cc(C#N)c(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)s1 108395578 HOEXCWYKTIFYJH-FQEVSTJZSA-N 437.952 5.335 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c(C)n1[C@@H](C)c1ccccc1 195662621 QSABCDHLUBBTLC-HTAPYJJXSA-N 426.545 5.723 30 20 IKED CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc(C#N)c(Cl)c3)o2)cc1 302106212 BMRLXOHFLGNNSK-UHFFFAOYSA-N 426.929 5.290 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)cc1 303289361 AMIFDAXORXEMIV-UHFFFAOYSA-N 445.466 5.788 30 20 IKED Cc1csc(Sc2ccc(NC(=O)Cc3ccc(OCC#N)cc3)cc2Cl)n1 303523293 VJJXIVSKEDSFAS-UHFFFAOYSA-N 429.954 5.340 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCS[C@H](C)[C@@H]1c1ccccc1 303729106 UPLPHJHRDZXLEC-PMAPCBKXSA-N 425.623 5.055 30 20 IKED C=CCN(C(=O)c1sc(-c2cccc(Cl)c2)nc1C)c1nc(C(=O)OCC)cs1 409828955 ZBPFWVDSXKEXHB-UHFFFAOYSA-N 447.969 5.238 30 20 IKED Cc1cc(CNC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1-c1ccccc1 427506860 QAEUFUPICRKZPG-GOSISDBHSA-N 443.572 5.169 30 20 IKED COCc1nc2cc(NC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)ccc2o1 431404127 NZBPINYVBDMJDD-UHFFFAOYSA-N 442.475 5.263 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)[C@H]1OCCc2sccc21 432866974 NMDPWOQOEDJNAY-BXKMTCNYSA-N 447.560 5.331 30 20 IKED C=CCC[C@@H](NC(=O)NC1CCN(Cc2ccccn2)CC1)c1ccc(C(F)(F)F)cc1 440832467 LJINPBHYDSMVGJ-JOCHJYFZSA-N 446.517 5.072 30 20 IKED C=CCC[C@H](NC(=O)N[C@H]1CCCn2nc(C(C)C)nc21)c1ccc(C(F)(F)F)cc1 440863503 XBGWRUIUNDKDCO-ROUUACIJSA-N 435.494 5.262 30 20 IKED N#CCCCn1cc(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)c2ccccc21 444297896 ZHFFSKCVLMFTKL-UHFFFAOYSA-N 435.940 5.293 30 20 IKED Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)[C@@H](C)CO1 460393369 IWXXGLWXONVTTE-FNZWTVRRSA-N 426.516 5.456 30 20 IKED C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1Cc2ccccc2C2(CC2)C1 460550766 XORIDPZDHPBGKX-UHFFFAOYSA-N 432.593 5.207 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[C@]2(CCCOC2)C1 460950806 SSNOQGHNVWGELI-RXFWQSSRSA-N 432.568 5.154 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(OCc3ccccn3)cc2)cc1 460984574 VSULRPSXSBOLCX-UHFFFAOYSA-N 449.510 5.558 30 20 IKED C=CCc1cc(CN[C@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)cc(OC)c1O 462740529 ICJOHCHBGYZQKK-XMMPIXPASA-N 441.543 6.009 30 20 IKED O=C(Nc1cc(C(F)(F)F)ccc1Br)c1c(F)cc(C(F)(F)F)cc1F 464494552 PYWGSCGPTJAONV-UHFFFAOYSA-N 448.107 6.017 30 20 IKED C=C(C)CN1CCC(NC(=O)N[C@@H](c2ccc(OC)cc2C)c2ccccc2Cl)CC1 465872353 UNBKYRYTPGFJRC-DEOSSOPVSA-N 442.003 5.086 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)Nc1ncccc1OCCCC#N 466609712 JIIFWAJLWWHKQA-KRWDZBQOSA-N 435.553 5.421 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC(F)(c4cccc(Cl)c4)CC3)cc2)nc1 466883826 SATKOCZOFCZMAN-UHFFFAOYSA-N 435.886 5.500 30 20 IKED CC[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1nc(C(F)(F)F)cs1 467710419 IEMOVPLIAPERTK-KRWDZBQOSA-N 446.454 6.099 30 20 IKED C=CCOc1ccc(CN(C(=O)Cc2csc(NC(=O)C(C)(C)C)n2)C(C)(C)C)cc1 467871766 PAZOINSIDVJUCC-UHFFFAOYSA-N 443.613 5.062 30 20 IKED O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)N[C@@H]1CCSC1 468011586 LCLKGAZNUDJLNO-MNOVXSKESA-N 440.331 5.132 30 20 IKED CCc1c(C)sc(NC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)c1C#N 468716112 HIAFLRARYPIQNJ-UHFFFAOYSA-N 436.320 5.617 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@H](c3ccccc3)c3ccc(Cl)cc3)ccc21 468797230 BPYAGIFMYGGLGH-AREMUKBSSA-N 429.951 6.124 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 470198831 VCIXSTOQUCNITJ-OAQYLSRUSA-N 432.490 5.119 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@]4(C3)OCc3ccccc34)cc2Cl)cc1 473653498 HIVGCUZNSYOOIO-VWLOTQADSA-N 445.906 5.667 30 20 IKED O=C(Nc1ccc(Br)cc1OC(F)(F)F)c1cc(F)c(F)c(F)c1F 475594079 XRGOSEWGVVVISP-UHFFFAOYSA-N 432.089 5.156 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(Br)ccc1Br 476095500 MVNVKNKIRVLKLJ-UHFFFAOYSA-N 437.175 6.316 30 20 IKED Cc1sc([C@H](C)NS(=O)(=O)CC2(C#N)CCCCC2)nc1-c1ccc(Cl)cc1 476397499 MIZLHOBQQQZRAN-AWEZNQCLSA-N 438.018 5.226 30 20 IKED CCOCCOc1c(Cl)cccc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 476766857 QLKSRSHVVUUCLZ-UHFFFAOYSA-N 429.948 5.317 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1 477107679 LFODYVXFWVRGED-IBGZPJMESA-N 436.577 6.235 30 20 IKED Cn1cc(CNCc2nc(-c3cc4ccccc4o3)cs2)c(-c2ccc(C#N)cc2)n1 479410463 PCCPBNZDMNKANI-UHFFFAOYSA-N 425.517 5.118 30 20 IKED Cc1nnccc1NC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 484675416 VHPMJZIPBMRRJC-LBPRGKRZSA-N 446.273 5.248 30 20 IKED C=CCc1cc(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)cc(OC)c1OC 487682563 CQIJKOTZKVBTNC-UHFFFAOYSA-N 430.476 5.010 30 20 IKED C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1nc(C(F)(F)F)cs1 488297073 KNBRJHVUAMSFSL-LBPRGKRZSA-N 432.427 5.709 30 20 IKED O=S(Cc1cc(F)c(C(F)(F)F)cc1F)Cc1cc(F)c(C(F)(F)F)cc1F 488773447 QDMJCSHQFOQDMO-UHFFFAOYSA-N 438.286 5.730 30 20 IKED Cn1c(CNC(=O)c2ccccc2Sc2ccccc2C#N)nc2cc(Cl)ccc21 491411828 BDDZLQRTCNEQTF-UHFFFAOYSA-N 432.936 5.180 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCNc1cccc(Br)c1 492176658 BPIGHDGZIOZBCJ-AWEZNQCLSA-N 433.375 5.077 30 20 IKED CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)CSCc2ccc(C#N)cc2)cc1 496466396 FRELAZJSVJWHCQ-AREMUKBSSA-N 429.589 5.387 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12)c1nnc2n1CCCCC2 497806105 YNYCMDGDBFQOQT-INIZCTEOSA-N 447.951 5.425 30 20 IKED CCn1c2ccccc2c2cc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)ccc21 498306806 UIOZZRHNNDPGOU-UHFFFAOYSA-N 445.544 5.144 30 20 IKED C=CCN(C(=O)c1ccc(SCc2ccccc2)cc1)c1nc(C(=O)OCC)cs1 501956405 WBWXFVZCEAHKHR-UHFFFAOYSA-N 438.574 5.445 30 20 IKED Cc1ccc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc1NC(=O)c1ccco1 505540268 MUXNDSRJYUERTK-KRWDZBQOSA-N 428.275 5.142 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1 507890981 RZGOSNXRSHHDPL-UHFFFAOYSA-N 446.463 5.270 30 20 IKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 511450352 HYVCFQYBHSUFJE-OFVILXPXSA-N 444.579 5.298 30 20 IKED CCc1cc(C#N)c(NC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)s1 512644216 KJLFAZVZSDMDBL-UHFFFAOYSA-N 429.501 5.362 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(-c3nccs3)c2)cc1 513862160 ROIHVBQLDIMDHA-UHFFFAOYSA-N 442.519 6.055 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 513863084 DDYXMRDOWJLFJW-UHFFFAOYSA-N 428.467 5.202 30 20 IKED C=CCN(Cc1cccs1)C(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 515454164 MYKRERZKEXKVCX-QGZVFWFLSA-N 437.540 5.598 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)[C@H](Sc3ccccc3)c3ccccc3)CC2)c1 517858556 DOHWLPHSPOBUDA-RUZDIDTESA-N 428.557 5.462 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)[C@H](Sc2ccc(F)cc2F)c2ccccc2)cc1 517980544 AWZVZZLNYOZLAT-JOCHJYFZSA-N 438.499 5.353 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NC[C@@H](Cc3ccccc3)C(F)(F)F)cc2)ccn1 518015640 QRQSJNJFBAEXEK-QGZVFWFLSA-N 440.425 5.288 30 20 IKED C=CCN(CCc1ccccc1)C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 520961163 CSRZAKPFXLPROG-UHFFFAOYSA-N 444.918 5.012 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1cc(F)c(Cl)cc1Cl 521090307 GPHYUOVFRUSIKM-LBPRGKRZSA-N 430.266 5.682 30 20 IKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)cc1 521770299 MNILKYXRGGYNKN-FOJYNEPKSA-N 437.628 5.310 30 20 IKED Cc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1Oc1ccncc1 522306297 GYVQXCAUEVPSSP-UHFFFAOYSA-N 427.382 5.247 30 20 IKED N#C[C@@H](C(=O)c1csc(Cc2ccccc2F)n1)c1nc2ccccc2n1C(F)F 522810840 HTMSOXBXRJRJSC-ZDUSSCGKSA-N 426.423 5.108 30 20 IKED N#Cc1c(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)sc2c1CCCC2 525117096 FCLPFCIATGQSQP-UHFFFAOYSA-N 445.331 5.640 30 20 IKED Cc1ccccc1[C@@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCO1 525735136 QIYKIVWAHIFQCU-SANMLTNESA-N 441.531 5.246 30 20 IKED CC[C@H](C)n1ncc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1C1CC1 534082602 WENMQPWCCFCWJT-SFHVURJKSA-N 428.536 5.629 30 20 IKED COc1ccc(C[C@@H](C)CNC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC 534964982 HKMNPBUAILLWPC-IAGOWNOFSA-N 427.570 5.098 30 20 IKED CCc1c(-c2ccc(Br)cc2)n[nH]c1NC(=O)c1ccc(C2(C#N)CC2)cc1 537470247 ALFUKWHIXGFJJV-UHFFFAOYSA-N 435.325 5.209 30 20 IKED CCN(C(=O)c1sc(COc2ccc(F)cc2)nc1C)c1ccc(C#N)c(Cl)c1 538074098 WOPIQFKZDMTLLD-UHFFFAOYSA-N 429.904 5.361 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)N[C@H](C)c1cccc(C#N)c1 539509605 HJCBUJHVOBUEJZ-ZIAGYGMSSA-N 426.383 6.165 30 20 IKED CCN1CC[C@@H](NCc2ccc(OC)c(OCCCC#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 540202609 VRJDGIMVPHTPPV-QPPBQGQZSA-N 445.966 5.095 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1ncc(Cl)cc1Cl 540723686 FZQYOZAKUYWAGD-GFCCVEGCSA-N 426.394 5.655 30 20 IKED CC[C@@H](CC#N)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(OC)c1OC)CC2 546588500 FGFNMVUGNOGLJL-PIOKWQJESA-N 441.531 5.161 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCc2c(ccc(Cl)c2Cl)C1 553026566 SMBROFJQKSWGIN-AWEZNQCLSA-N 434.392 5.242 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C 557608859 IJWOCTDPUAOGGP-UHFFFAOYSA-N 445.489 5.195 30 20 IKED CC(C)OCc1cccc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1 561082681 GGEURSMBCMMFEW-UHFFFAOYSA-N 425.960 5.382 30 20 IKED N#CCCn1ncc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1-c1ccccc1 570902578 WBOQLCDTXORVPQ-IBGZPJMESA-N 441.560 5.093 30 20 IKED N#Cc1ccc(C[C@H](C#N)c2nc(-c3cc(Br)c4ccccc4c3)no2)cc1 578000543 PWJGWHLTSUFVPI-GOSISDBHSA-N 429.277 5.374 30 20 IKED O=C(NCc1cccc(OCC(F)F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 588200658 BLHHATMHSWXYOV-ITGUQSILSA-N 448.354 5.039 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Nc3ccc(F)cc3OC3CCOCC3)cn2)cc1 588235781 OGVBLUJECOMYDY-UHFFFAOYSA-N 448.454 5.086 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccccc4C)n3)n2)cc1 589829949 AMSGOUFPBAYYMY-GOSISDBHSA-N 431.542 5.741 30 20 IKED CC(=O)c1sc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)nc1-c1ccccc1 590215215 LVYOSGUXFUCCSK-UHFFFAOYSA-N 443.484 5.309 30 20 IKED C[C@H](C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccccc1F 595909424 ZOXZAJLETKREMM-NSHDSACASA-N 439.327 5.450 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(CCc4ccc(O)cc4)CC3)cn2)c1 603691271 LITIUIBGFGVYRM-UHFFFAOYSA-N 442.519 5.328 30 20 IKED COc1ccc(F)cc1-c1csc(NC(=O)c2ccc(COc3ccccc3C#N)o2)n1 603898042 MJVLAVSMRVRKSI-UHFFFAOYSA-N 449.463 5.254 30 20 IKED COc1ccc(CSCC(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1[N+](=O)[O-] 603968921 MIXQVUXELJHJNW-UHFFFAOYSA-N 439.518 5.075 30 20 IKED CC(C)(CCNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1 604406617 CFWZZORWPNANJF-UHFFFAOYSA-N 437.594 5.191 30 20 IKED Cc1ccccc1C1(CNCc2cccc(OCc3cccc(C#N)c3)c2)CCOCC1 604419135 QJUZOJDGAVJKAJ-UHFFFAOYSA-N 426.560 5.284 30 20 IKED C[C@@H](NC(=O)c1cc2ccccc2n1CC#N)c1ccc(NC(=O)Nc2ccccc2)cc1 609163638 SGNJWYQMYFLHCD-GOSISDBHSA-N 437.503 5.300 30 20 IKED CCN(C(=O)C[C@@H](NC(=O)c1ccc(C)cc1)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 609228295 NBSHTGREARDDEF-QFQXNSOFSA-N 439.559 5.338 30 20 IKED Cc1nn(-c2ccc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)cc2)c(C)c1Cl 609460461 YWTCPYHPNDPJKX-GOSISDBHSA-N 432.833 5.156 30 20 IKED COc1cc(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)ccc1OC(F)F 609497827 MZKMVCDPTDNCOP-UHFFFAOYSA-N 438.430 5.085 30 20 IKED Cc1cc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)n(-c2cccc(Cl)c2)n1 609498917 WMQNBRFADBCJJP-UHFFFAOYSA-N 429.867 5.145 30 20 IKED N#Cc1c[nH]ccc1=NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)cc1)CC2 609786082 IOIJDXHNFIGZSH-GHRIWEEISA-N 436.902 5.316 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 610324995 ZCOYUDDHEGXHPM-OAHLLOKOSA-N 425.945 5.623 30 20 IKED C[C@H]1CCCCN1CCC1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 610791803 MSLRYOUXMZLJHE-FQEVSTJZSA-N 447.583 5.254 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCc4cc(Br)ccc4C3)cn2)c1 616761995 YELRPZOIDXRGGM-UHFFFAOYSA-N 449.308 5.098 30 20 IKED CC(C)(C)C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1 618555633 RJYFDAKNRZAJRZ-LZWOXQAQSA-N 442.419 6.075 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](C(F)(F)F)C4(CCC4)C3)cn2)cc1 619786516 IWWLYTGFZVVFBQ-GOSISDBHSA-N 430.430 5.332 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cnc(-c2ccccc2F)s1 619991493 XABSVJHUNSNHCD-NXEZZACHSA-N 440.384 5.589 30 20 IKED CC(C)(C)c1nnc2ccc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cn12 681101874 QOEKXCDMMJNBCK-ZDUSSCGKSA-N 443.454 5.145 30 20 IKED C[C@@H]1CCN(c2cc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)ccn2)C1 681351998 HBHNHSJQFPLORG-DOMZBBRYSA-N 430.455 5.046 30 20 IKED COc1c(Br)cc(Cl)cc1NC(=S)Nc1ccc(C#N)c(Cl)c1 726453423 FCAKOPCFMZQCRY-UHFFFAOYSA-N 431.142 5.445 30 20 IKED C=CCc1cc(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1OC 728166058 VAQLABLYXPJEIP-UHFFFAOYSA-N 430.888 5.051 30 20 IKED N#CC1(c2ccccc2)C/C(=C/c2cccnc2Cl)C(=O)/C(=C/c2cccnc2Cl)C1 728695961 JIJXQARRSSLRIL-ZEDXCMECSA-N 446.337 6.075 30 20 IKED C[C@@H](OC(=O)c1cc2ccccc2n1CC#N)C(=O)Nc1ccc(Oc2ccccc2)cc1 729770082 ZZPNSUYABYCQLQ-GOSISDBHSA-N 439.471 5.141 30 20 IKED CCOc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1OCC 730418526 WQRVTHNQRSSXMW-MRXNPFEDSA-N 440.496 5.072 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CCCC[C@H]2c2cc3ccccc3[nH]2)c1=S 731026577 BILLVNJLVFKGCB-QFIPXVFZSA-N 430.581 5.328 30 20 IKED Cc1nc2ccccc2n1Cc1cc(NC(=O)c2ccccc2OCC#N)ccc1Cl 732017343 UAFMUCCDHMIJSU-UHFFFAOYSA-N 430.895 5.201 30 20 IKED N#C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)c(F)c2)CCN1C1CC1 732698661 CZHATIPCZKRZSO-INIZCTEOSA-N 449.313 5.129 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1cccc(C(F)(F)F)c1 733079953 NIZQADKFJARUKI-UHFFFAOYSA-N 425.336 5.412 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(S[C@H](C)CC)cc2C)ccc1OC 733630130 LYSMMHMNYDNZFN-MJGOQNOKSA-N 441.597 5.897 30 20 IKED FC(F)(F)c1cc(NN=C2CCCOc3c(Cl)cccc32)nc(-c2ccccn2)n1 733747824 UGXGURKCXOLVMO-UHFFFAOYSA-N 433.821 5.200 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1 733842507 XVGXYTHWBRLLHM-SFHVURJKSA-N 446.473 5.308 30 20 IKED C#CCN(C(=O)CCc1cc(Cl)cs1)[C@H]1CCOc2ccc(Br)cc21 736484673 KQJKLSKNOHVEBA-KRWDZBQOSA-N 438.774 5.082 30 20 IKED CC(=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccc(-c2ccncc2)c1 741463917 KWRRNEIAAPVOHI-UHFFFAOYSA-N 442.544 5.386 30 20 IKED C=CCn1c(-c2cccc(C)c2)nn(CN(C)Cc2csc([C@H](C)OCC)n2)c1=S 743376253 XAQSIYCQOICETQ-KRWDZBQOSA-N 443.642 5.219 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1ccc(OCC(C)C)c(Cl)c1 743465476 MSAZHKWUWYXKRN-KRWDZBQOSA-N 429.948 5.131 30 20 IKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 744033573 VOBPLHCHZITUCF-HNNXBMFYSA-N 446.787 5.525 30 20 IKED C=CC[C@H](NC(=O)N[C@H](c1ccc(OC)cc1C)c1ccccc1Cl)c1ccncc1 745827484 KTDPSXAMSHTUBX-BJKOFHAPSA-N 435.955 5.758 30 20 IKED O=C1C[C@H](C(=O)O[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c2ccc(F)cc2N1 746436571 HTOVORVSWCESFM-BBRMVZONSA-N 435.295 5.117 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(Cl)c(C(F)(F)F)c1 747204751 LLDHUGIHTQRRGR-GFCCVEGCSA-N 448.800 5.635 30 20 IKED O=C(/C=C\c1ccc(Br)c(Cl)c1)c1ccc(S(=O)(=O)CC(F)F)cc1 754828225 RAAVSAPXUUOSEU-WAPJZHGLSA-N 449.700 5.037 30 20 IKED CC(C)(C)c1cc(NC(=O)COc2ccc(C3SCCCS3)cc2)c(C#N)s1 756838436 NHJPQAWCZHSYOR-UHFFFAOYSA-N 432.636 5.803 30 20 IKED N#Cc1c(F)ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)c1Cl 761750069 SJIFPXVNFCACCK-UHFFFAOYSA-N 426.691 5.087 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)c3ccc(COc4ccc5ccccc5c4)o3)CCO2)c1 762391813 XVSQEXHZTBHVQH-AREMUKBSSA-N 438.483 5.097 30 20 IKED CC[C@@H](CC#N)NC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 762720175 YXSMPTGIRRGNTM-KRWDZBQOSA-N 440.619 5.378 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)Cn1nc(-c2ccncc2)n(C2CCCCC2)c1=S 764930874 CTWMMBHAPFMJIZ-UHFFFAOYSA-N 446.624 5.721 30 20 IKED O=C1Nc2c(cccc2C(F)(F)F)C1=NNc1ncnc2sc(-c3ccccc3)cc12 767106838 NPYVGAJENZDKPI-UHFFFAOYSA-N 439.422 5.145 30 20 IKED CC(=O)N(c1ccccc1)c1nc(C=NNc2ccc(Br)c(F)c2)cs1 769827534 CIQUDODIWLGCGY-UHFFFAOYSA-N 433.306 5.175 30 20 IKED CCCN(CC)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cn1 773979347 HQRCBSGKEXYMCX-NRFANRHFSA-N 442.519 5.071 30 20 IKED CN(C)c1ccc(C2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)cc1 775488240 NXJDZIJAXZVQBE-HHHXNRCGSA-N 438.575 5.820 30 20 IKED Cc1ccc(-c2c[nH]cc2C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)s1 778429766 NSIWVFWNHVFZNZ-CQSZACIVSA-N 439.562 5.099 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)NC1(c2cccc(C#N)c2)CC1 779705724 IVHKGMVJOFPHAM-JOCHJYFZSA-N 446.551 5.271 30 20 IKED Fc1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)c(OCC(F)(F)F)c1 783737755 DKADMBZLCBLIBV-UHFFFAOYSA-N 428.329 5.474 30 20 IKED O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 790650898 KDBUWYGDDJPOIR-HKBQPEDESA-N 441.474 5.145 30 20 IKED COc1ccccc1-c1ncc(/C=C\C(=O)c2c[nH]c3ccc(Br)cc23)cn1 792904098 CLETXJKSGUBOFJ-TWGQIWQCSA-N 434.293 5.292 30 20 IKED CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 793125968 COMFSTPMOGJQOQ-CRAIPNDOSA-N 429.467 5.669 30 20 IKED C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797567925 CPLANZBQUSJXNE-WFASDCNBSA-N 429.998 5.999 30 20 IKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(CC(F)(F)F)C2=O)cc1 799210370 RANAOJCSCJNTPY-QGZVFWFLSA-N 449.498 5.134 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)cc1 806450322 LYZIJGWQCVMCJJ-FQEVSTJZSA-N 430.414 5.582 30 20 IKED N#C[C@H](C(=O)Cc1ccc(Br)c(Cl)c1)c1nc(-c2ccncc2)cs1 810550318 WIKXYZHEGVCSTB-CYBMUJFWSA-N 432.730 5.040 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2C[C@H](c3ccccc3)OC2=O)cc1Cl 813409699 JKKUEOOUDSKYBH-MQSCRBSSSA-N 430.891 5.238 30 20 IKED CC(C)(C)OC(=O)Nc1cc2c(cc1NCc1ccc(C#N)cc1C(F)(F)F)OCO2 816602437 XGCLUOVYXIVOKY-UHFFFAOYSA-N 435.402 5.265 30 20 IKED Cc1c(C#N)c(NC(=O)CCSc2cccc(C(F)(F)F)c2)n(Cc2ccco2)c1C 821863651 ZUACKQILCYTMOZ-UHFFFAOYSA-N 447.482 5.758 30 20 IKED CC(C)n1cc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c(C2CCOCC2)n1 856613511 FRSYNGIKDDHQTA-UHFFFAOYSA-N 444.535 5.061 30 20 IKED CC(=NNc1nc2cc(F)c(F)cc2[nH]1)c1ccc(OCC(=O)Nc2ccccc2C)cc1 912825052 AWWJXFDUDQAWKH-UHFFFAOYSA-N 449.461 5.003 30 20 IKED CCCCn1nc(C)c(C=NNc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)c1Cl 916313625 MJXCCGYRGXTWLC-UHFFFAOYSA-N 444.988 5.232 30 20 IKED Cc1cc(Br)oc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916905807 NGDOWPCXXQDIRR-OAHLLOKOSA-N 439.265 5.104 30 20 IKED COc1ccc(C(=O)/C=C/c2cc(Br)c(OC(F)F)c(OC)c2)cc1F 917143068 GUWNDVRWOJBFCI-HWKANZROSA-N 431.204 5.103 30 20 IKED C=CCn1c(CCN2CCCCC2)nn(CN(Cc2cccc(Cl)c2)C(C)C)c1=S 917462921 PTLCESUDJCSCHW-UHFFFAOYSA-N 448.080 5.150 30 20 IKED CC(C)[C@H](OC(=O)c1cc(F)c(F)c(F)c1F)C(=O)Nc1ccccc1C(F)(F)F 919221855 XFGFGIJSXFLNAX-INIZCTEOSA-N 437.311 5.082 30 20 IKED CCOc1ccc(OC(C)(C)C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920807024 WBBUTXJBAWFVRE-MRXNPFEDSA-N 442.487 5.521 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(N2CCCC2=O)cc1 920975193 GVCVTNIUFCQCLA-KBMIEXCESA-N 438.531 5.352 30 20 IKED CCCCCCN(C(=O)CCc1c(C)nc(O)c(C#N)c1C)c1nc2ccccc2s1 921234768 VEAAYFVQAQKKLE-UHFFFAOYSA-N 436.581 5.432 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H](C)c3ccc(C)cc3)CCC2)cc1 1786370225 ZFKIIROTTKAVMK-NRFANRHFSA-N 434.580 5.215 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3c(OC)cccc3OC)CCC2)cc1 1789455849 FREMLTPGBUERDA-OAQYLSRUSA-N 448.563 5.220 30 20 IKED CC(C)c1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cc(C#N)c[nH]4)cc3)CCC2)cc1 1790149222 WTJCBEXANSZVSQ-UHFFFAOYSA-N 440.547 5.000 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)Cc3c[nH]c4ccccc34)CCC2)cc1 1791300507 LGGTWHNAQYTKMC-UHFFFAOYSA-N 437.490 5.056 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/C2CCCCC2)[C@H]1c1cccnc1 1808507526 IKDMBQMJDRTHDU-HGJZCRRWSA-N 437.628 5.216 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C)c(C)c2)[C@@H]1c1cccnc1 1810505394 SUWLXGMSTVSHMN-DNQXCXABSA-N 433.596 5.010 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3[nH]c(C)cc3c2)[nH]n1 1814828296 FLSFLHCZFVMPCE-QHCPKHFHSA-N 445.567 5.274 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3cc[nH]c3c2)n[nH]1 1818484670 MWGDBYSHLQMEAG-NRFANRHFSA-N 433.556 5.189 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c(C(C)(C)C)c2)[nH]n1 1819303632 MABWCGOPJIJJME-AZUAARDMSA-N 437.588 5.110 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)[nH]n1 1821920975 BBEWJLLEFQWSEA-KUHUBIRLSA-N 440.931 5.327 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1 1823682373 CIIMGNRWKXOJJQ-VWLOTQADSA-N 449.639 5.103 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(C)CCCC3)CC2)c1 1823849113 VKFPMOWEKMMZFT-YKSBVNFPSA-N 435.612 5.127 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3[nH]ccc3s2)CC1 1824142546 WSRJVIWFRUDKKJ-NRFANRHFSA-N 439.625 5.231 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3nc(C)ccc3o2)CC1 1827274326 NDYAINYYWZITJA-HSZRJFAPSA-N 449.595 5.138 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2C2CC2)CC1 1831447034 CFXDRVIMKPDSRW-JOCHJYFZSA-N 430.539 5.009 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3CC[C@H](C)CC3)CC2)c1 1832635345 ARMQSZACGRUHCE-YWDMUFDYSA-N 449.639 5.373 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2ccccc2)c1 10836777 IBCNNNRSLHZSPI-UHFFFAOYSA-O 430.380 5.949 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(OC)cc1)=C(/S)Nc1cccc(Cl)c1C 11259114 DUKXVOPMWCMXJA-UHFFFAOYSA-O 439.988 5.558 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2ccccc2)nnc1-c1ccc(Cl)cc1 21333666 HMGUVFINSLRRQK-MRXNPFEDSA-N 426.973 5.096 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)C1CCN(c2nc3ccccc3o2)CC1 22754296 SSZAEHFPOCSGKW-UHFFFAOYSA-N 427.529 5.144 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)nnc1-c1ccco1 28504002 AGSBCVBBWKCKBV-IRXDYDNUSA-N 432.549 5.235 30 20 IKED C=CCn1c(S[C@H](C)c2cccnc2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 60424051 DZEWSSLSCONXBC-CQSZACIVSA-N 437.565 6.007 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OC(F)F 60477705 ADWKYTBOTYPVHL-CQSZACIVSA-N 434.851 5.564 30 20 IKED CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 62883475 XWJDPVCDALMVLI-IBGZPJMESA-N 428.488 5.278 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3ncccc3OCCCC#N)cc(-c3cccs3)nc21 72087492 UIQMCHGYGMNIGT-UHFFFAOYSA-N 446.536 5.071 30 20 IKED C=CCn1c(SCc2nc3c(oc4ccccc43)c(=O)[nH]2)nnc1-c1ccc(Cl)cc1 104938436 PQMTXEZURBJXIP-UHFFFAOYSA-N 449.923 5.060 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 107581028 LUBJBCXYIGIZTA-VWLOTQADSA-N 434.923 5.285 30 20 IKED Cc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c2c(C)nn(C)c2n1 107647122 PUXMRYXKWWDTGT-HXUWFJFHSA-N 429.911 5.146 30 20 IKED COc1cc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc2c1OCCO2 147710849 WATQWWADDIDBBK-AQTBWJFISA-N 429.497 5.500 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)o1 195691447 TXSQDMPKTGDNRA-UHFFFAOYSA-N 426.476 5.059 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 302587979 FLPMTKVHIOOWBZ-UHFFFAOYSA-N 447.347 5.277 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 303277580 JDKFSWUWYMUHHR-IEBWSBKVSA-N 429.545 5.083 30 20 IKED Cc1ccc(C[C@@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 303572296 JEPJSUSZJPCVJM-SANMLTNESA-N 439.559 5.879 30 20 IKED Cc1ccc(-n2ncc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)c2C(C)C)cc1 430174375 VVESKROHHXAMOL-UHFFFAOYSA-N 438.535 5.334 30 20 IKED CN(C(=O)c1cccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)c1)c1ccccc1 432907523 QIXSIWAJZXTHGR-XMMPIXPASA-N 426.520 5.520 30 20 IKED N#CCCn1cc(CNc2ccc(F)c(NC(=O)C3CCCCC3)c2)c(-c2ccncc2)n1 433315979 DAAUWIJUECPZIP-UHFFFAOYSA-N 446.530 5.129 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1ccccc1 435602189 BIOABPWCFQFFTA-XMMPIXPASA-N 440.609 5.763 30 20 IKED COc1cccc(F)c1[C@@H](C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 437947729 PPUFVLJTKZNRSC-OAHLLOKOSA-N 437.446 5.307 30 20 IKED C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 437993585 FKYKLZOKSBKKED-MZNJEOGPSA-N 447.485 6.030 30 20 IKED N#Cc1cccnc1OC1CCC(NC(=O)c2ccccc2SCc2cccs2)CC1 438632549 UPPSINGIGBIEEP-UHFFFAOYSA-N 449.601 5.427 30 20 IKED CN(Cc1ccco1)Cc1ccccc1CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 438637214 NSUVMGVGIRBMJT-UHFFFAOYSA-N 442.441 5.124 30 20 IKED CO[C@@H](C)c1cccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 439545893 FJFVVEYAHVVVTD-AOMKIAJQSA-N 447.922 5.280 30 20 IKED N#CCC[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccccc1 439669439 CHWIULFUPXSODS-HXUWFJFHSA-N 449.580 5.297 30 20 IKED C[C@@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H]1C 441520972 XPECORYCUYHZIH-HMFYCAOWSA-N 444.535 5.164 30 20 IKED C=CCC[C@H](NC(=O)Nc1cccc(CS(C)(=O)=O)c1)c1ccc(C(F)(F)F)cc1 442197541 WRFVUVHHXIGPDC-IBGZPJMESA-N 440.487 5.079 30 20 IKED Cc1cccc2nc(C3CCN(C(=O)c4cccc(Oc5ccc(C#N)cc5)c4)CC3)oc12 444554278 QZTYUEGOFOOKJX-UHFFFAOYSA-N 437.499 5.820 30 20 IKED C=C[C@@H](Cc1nc(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)no1)c1ccccc1 445756750 CTMBFUVKBCUADX-GJZGRUSLSA-N 430.335 5.309 30 20 IKED COc1ccccc1-c1csc([C@H]2CCCN(C(=O)Nc3cccc(C#N)c3C)C2)n1 446175151 NLEWAJVAHKEZCM-SFHVURJKSA-N 432.549 5.410 30 20 IKED CCCOc1ccc(CCC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 463171027 OSAOIMAVQDACQT-UHFFFAOYSA-N 438.578 5.062 30 20 IKED O=C(NC1(c2cccc(F)c2)CCOCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 464552971 ILQOTMAORIVKMW-UHFFFAOYSA-N 435.339 5.299 30 20 IKED C[C@H](NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1ccc(OCC(F)(F)F)cc1 465733686 XYORCIFTRCELAW-ORYQWCPZSA-N 431.458 5.170 30 20 IKED COc1ccc([C@@H](NC(=O)NCc2cc(C#N)ccc2F)c2ccccc2Cl)c(C)c1 466197558 SAHSAJOTACJHAY-HSZRJFAPSA-N 437.902 5.257 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCC[C@@H](c4ccccc4)CC3)ccc21 470551801 CUDHBGQPTLERNG-OAQYLSRUSA-N 430.552 5.071 30 20 IKED CCC(C)(C)N(CCC#N)C(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2onc(C)c12 471173841 URUPONKMQWURAL-UHFFFAOYSA-N 444.457 5.762 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 480404171 MWMVSWPMHMKTPT-JOCHJYFZSA-N 447.922 6.382 30 20 IKED C=C[C@](C)(CC)C(=O)N1Cc2cc(Br)c(NC(=O)[C@@](C)(C=C)CC)cc2C1 480821110 VSSRQLYYCPJTGJ-FCHUYYIVSA-N 433.390 5.434 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1-c1cccs1 481391901 RKJXHRZQPWWEAK-LBPRGKRZSA-N 429.958 5.749 30 20 IKED Cc1cccc(-c2cc(Cl)ccc2NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c1 484705062 WBQKXLDYDOEGOE-UHFFFAOYSA-N 443.938 5.418 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(COC4CCOCC4)c3)cc2)cc1 487215029 AAFCDJUYELMOIT-UHFFFAOYSA-N 428.488 5.298 30 20 IKED N#CCCC[C@H](NC(=O)c1coc(-c2ccc(Br)cc2F)n1)c1ccccc1 487546130 VFBMUFTXLYWAFS-SFHVURJKSA-N 442.288 5.408 30 20 IKED COc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1OCC(F)(F)F 497395265 YIINYNLVLIKBMJ-UHFFFAOYSA-N 426.394 5.427 30 20 IKED CCOCc1ccccc1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 500931591 SCLNSVFVFFELAP-QHCPKHFHSA-N 433.939 5.854 30 20 IKED N#CCCN(Cc1ccco1)C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 502541402 ZHFVKWJCBLCISF-UHFFFAOYSA-N 443.272 5.530 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)Nc3nc(C)c(SCC#N)s3)s2)cc1 504752920 BFQILCMKLOFHRT-UHFFFAOYSA-N 430.580 5.150 30 20 IKED COc1ccc([C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c2ccccc2OC)cc1 506680380 UMDBOTRIIAQTKT-AREMUKBSSA-N 443.547 5.285 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[C@H](CC(F)(F)F)C1 508745654 HXBAGTVEWBLSOF-DLBZAZTESA-N 430.474 5.536 30 20 IKED CCOc1ccc(C2=CCN(CC(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)cc1 509488251 KUYFSFQQLWZSTE-IBGZPJMESA-N 435.593 5.065 30 20 IKED Cc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 509900831 UGVQEVUBOFQNFO-SANMLTNESA-N 425.532 6.009 30 20 IKED N#CCC[C@@H](NC(=O)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1)c1ccccc1 510317352 FLOYDAVIUINESA-NFBKMPQASA-N 449.599 5.517 30 20 IKED C/C=C/c1ccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 510574956 RBAJGJBZLJGINH-AOQYBADCSA-N 429.907 5.606 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CC)Cc2ccc(Cl)c(Cl)c2)cc1 510986555 PWZFGPHJQXEVOW-UHFFFAOYSA-N 446.378 5.862 30 20 IKED C=CCn1c(S[C@H](C)c2ccc(OC(F)F)cc2)nnc1[C@@H]1COc2ccccc2O1 513240839 DXYJRHCORYFBFV-KUHUBIRLSA-N 445.491 5.431 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1 516389212 QPWZEFAMTHNLOO-UHFFFAOYSA-N 428.532 5.919 30 20 IKED N#C[C@@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)c1cccc(C(F)(F)F)c1 517605377 AOSRIZYLEPTUBB-CYBMUJFWSA-N 429.250 6.222 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](Nc3ccccc3)C2)cc1Cl 517896646 LQKYBYYLDXVEBO-FYYLOGMGSA-N 430.939 5.714 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(N3CCCC3)c(F)c2)cc1 518028404 VJDMNNSXJQBPJV-UHFFFAOYSA-N 429.495 5.323 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H]1CCOc2ccccc21 518222972 AFRXPSVWIWSSQR-NRFANRHFSA-N 427.504 5.134 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)Cc1csc(-c2ccccc2Cl)n1 518663007 XXJWFUXVAXMDAV-CQSZACIVSA-N 427.982 5.896 30 20 IKED CCOc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OCc1cccnc1 518743025 JAKWLTXNKWUYGX-GOSISDBHSA-N 447.560 5.706 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 519442928 ZPRNTHVTFHKXLF-NRFANRHFSA-N 441.984 5.332 30 20 IKED C[C@@H](C#N)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 521602923 JPPPPYZLJKKEAV-FJSNCCPHSA-N 440.503 5.252 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N(CC3CC3)C3CCCCC3)s2)cc1 522085068 RZJBVJAVJYPFEJ-UHFFFAOYSA-N 427.599 5.279 30 20 IKED COc1ccc(CN[C@@H]2CCOc3c(-c4ccccc4)cccc32)cc1OCCCC#N 522212417 ZYIZTGDSLAWVNG-XMMPIXPASA-N 428.532 5.658 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1ccc(OCC2CCOCC2)cc1 523010710 RCNZBHCCFCWTAQ-QGZVFWFLSA-N 425.554 5.530 30 20 IKED COc1ccc(C[C@H](Nc2nc(C(F)(F)F)ccc2C#N)c2ccccc2)cc1OC 523755068 UUUQJNXYXOGFGI-SFHVURJKSA-N 427.426 5.385 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3csc(-c4cccc(C(F)(F)F)c4)n3)[nH]c12 524034950 HXJABCYIVSKICL-AWEZNQCLSA-N 426.423 5.504 30 20 IKED C=CCOc1ccccc1CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 524150422 HYANAAJUEJBUIQ-UHFFFAOYSA-N 427.504 5.218 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 525055155 KIUYKMZXKOIHQL-UHFFFAOYSA-N 443.290 5.511 30 20 IKED CCc1nc(C)c([C@H](C)N(C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)s1 525120923 DIGLZYMWZNDONW-HNNXBMFYSA-N 430.643 5.238 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1 525234753 XETVZMXZOXHZJO-INIZCTEOSA-N 425.554 5.609 30 20 IKED CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1 531869601 LTAYLINDOVZUBZ-GOSISDBHSA-N 436.577 5.293 30 20 IKED Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cccc1-c1ccccn1 535864125 CAHYPVPCOWESKS-UHFFFAOYSA-N 441.478 6.334 30 20 IKED C[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cc(F)c(Cl)cc1Cl 539242530 CIUGXWLHWBQMAN-OLZOCXBDSA-N 440.371 5.674 30 20 IKED N#CCC1CCN(C(=O)N[C@@H](COc2cccc(F)c2)c2cccc(C(F)(F)F)c2)CC1 541016887 AIVYJBMYUNXWKH-NRFANRHFSA-N 449.448 5.300 30 20 IKED CC(C)c1nnc(CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)o1 542123674 PVKZBYGNRDLXDK-GFCCVEGCSA-N 435.290 5.624 30 20 IKED C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@H]([C@H]2CCOC2)C1 549265039 ZXRHYFZMTXYOBO-SFTDATJTSA-N 449.624 5.206 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)c1sc2cc(C(F)(F)F)ccc2c1Cl 551671508 JAQGGNMCQWBQPL-UHFFFAOYSA-N 441.755 6.984 30 20 IKED C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(c2c(C)[nH]c3ccccc23)CC1 555273157 TYYOCMVZPYGBCD-UHFFFAOYSA-N 426.568 5.014 30 20 IKED Cc1sc([C@@H](C)NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)nc1-c1ccc(Cl)cc1 556914462 AGAFMYJUADCJBG-CYBMUJFWSA-N 439.943 5.692 30 20 IKED C=C(C)COc1cccc(NC(=O)N[C@H](C)c2ccc(OCc3ccncc3)c(OC)c2)c1 589738873 CCYYCIJMVLBNHI-LJQANCHMSA-N 447.535 5.507 30 20 IKED C=CCc1cc(C(=O)Nc2c(C)cnn2[C@H]2CCCc3ccccc32)cc(OC)c1OC 590227822 PGJLPXAKLYFCHK-QFIPXVFZSA-N 431.536 5.115 30 20 IKED N#C[C@H](C(=O)c1ccc2nc(C(F)F)[nH]c2c1)c1nc(-c2ccc(Cl)cc2)cs1 601432904 YBMXFDAZYMCQNC-CYBMUJFWSA-N 428.851 5.767 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)c2C#N)C1 603615235 FRFROYOJBMWLLB-CQSZACIVSA-N 433.508 5.388 30 20 IKED N#CCCCOc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1 603969704 UKBNMDDZWXKCLR-UHFFFAOYSA-N 430.464 5.142 30 20 IKED Cc1c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)nnn1-c1cccc(Cl)c1 603992799 ZDZZBUGDJAOUOB-UHFFFAOYSA-N 445.935 5.180 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(CC(=O)NC3CCCC3)CC2)cc1 604406658 RKIUALRFOXPJJV-UHFFFAOYSA-N 446.551 5.043 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)c1 604521175 AOEWSQQWNFBGPC-FBILRYNDSA-N 433.596 5.038 30 20 IKED CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 605027974 VMUKZWOYEQNUID-UHFFFAOYSA-N 437.306 5.120 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c1 608802799 UAORIYQGMUABQJ-UHFFFAOYSA-N 441.921 5.821 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1OCc1ccncc1 608876310 JSEGWAPSFFFQKL-UHFFFAOYSA-N 436.471 5.280 30 20 IKED CCCN(C(=O)c1cc(OCC)c(OCC)c(OCC)c1)c1cc(Cl)ccc1C#N 609285624 CAVFOPBHEFMWHC-UHFFFAOYSA-N 430.932 5.465 30 20 IKED CCCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)[C@@H](c1cccnc1)c1ccc(F)cc1F 609491510 SBVBJZPDWBATBV-XDHUDOTRSA-N 435.474 5.027 30 20 IKED COc1cc(CSc2nncn2-c2ccccc2)ccc1OCc1cccc(C#N)c1 609721929 FWFBJEDBDUPRFB-UHFFFAOYSA-N 428.517 5.019 30 20 IKED Cc1ccc2nc([C@H]3CCCN(C(=O)c4cccc(Nc5ccc(C#N)cc5)c4)C3)[nH]c2c1 610011230 VZJBCLOOYMBAQX-NRFANRHFSA-N 435.531 5.506 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)CCc2nc(O)c3ccccc3n2)c1 610234726 NKZLNMBCXXHKNN-UHFFFAOYSA-N 442.906 5.026 30 20 IKED CCc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccc(Oc3ccc(C#N)cc3)nc1)CCC2 610791825 PKHIGDIDPVOXJA-IBGZPJMESA-N 433.537 5.306 30 20 IKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618301181 LDCPMBPCKXSDIT-RTBURBONSA-N 425.372 5.289 30 20 IKED O=C(Nc1ccc(F)cc1Br)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618543022 JKMXJHRTNLAHTR-OCAPTIKFSA-N 437.153 5.183 30 20 IKED N#Cc1ccc(Sc2nnc(-c3ccccc3F)n2Cc2ccccc2)c([N+](=O)[O-])c1 619697406 SBPHXCURHAPSFU-UHFFFAOYSA-N 431.452 5.064 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2OC)C(C)C)nnc1-c1ccc(F)cc1 639430392 GHFFPLRLDHQNBN-HXUWFJFHSA-N 440.544 5.034 30 20 IKED CC(C)c1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c2cnn(C(C)C)c2n1 642281473 GKNFFBJRJPEKLW-SFHVURJKSA-N 429.549 5.749 30 20 IKED CN(Cc1ccccc1)Cc1cccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c1 680167666 GHEUFEQDEKQTGI-NRFANRHFSA-N 429.520 5.557 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 682777515 LRWBINXCQLKVCS-UHFFFAOYSA-N 441.575 5.682 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OC)c(Cl)c2)[n+]2ccccc2CC)c1 726572400 CCLQRASACRYFME-UHFFFAOYSA-O 449.983 5.503 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)/C=C\c1nc2ccccc2s1 727997199 UNVSIEBWEOOGJH-QXMHVHEDSA-N 425.513 5.707 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(C4SCCCS4)cc3)cc2)c1 728006084 RCICLYMRBPZWSQ-UHFFFAOYSA-N 446.597 6.258 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc3cc(C)ccc3c2Cl)cc1Cl 729188039 JSOPONAICDFSRV-CYBMUJFWSA-N 433.316 5.486 30 20 IKED N#CCOc1ccc(CSc2nnc(Nc3cccc(Br)c3)s2)cc1 729240620 HFCJYEMNGPZKAF-UHFFFAOYSA-N 433.356 5.239 30 20 IKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1cccc(Cl)c1Cl 730584698 YNWYZALYRVTUBB-UHFFFAOYSA-N 448.162 5.642 30 20 IKED C#Cc1cccc(NC(=S)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)c1 731569550 LXHNXTPUVDYKSW-UHFFFAOYSA-N 426.545 5.067 30 20 IKED CC(C)(C)OC(=O)N1CCc2ccc(NC(=S)Nc3ccc(C#N)c(Cl)c3)cc2C1 731949156 CUHYTSVMOBBKNA-UHFFFAOYSA-N 442.972 5.314 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 732437548 UQWNRKPEZLJNLP-UHFFFAOYSA-N 426.451 5.726 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)cc2)cc1 732495317 WPLQDCMKLXNMFK-HXUWFJFHSA-N 429.863 5.160 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(-c3ccc(C)cc3)cc2F)ccc1OC 733232904 ZHAIJDZVGQKUGE-OAQYLSRUSA-N 432.495 5.421 30 20 IKED Cc1ccccc1CN(Cc1cccnc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 733622371 SKFRVGFWWGEYHR-NDEPHWFRSA-N 446.554 6.280 30 20 IKED O=C1/C(=C\c2ccc(F)c(F)c2)CC(O)(C(F)(F)F)C/C1=C\c1ccc(F)c(F)c1 735792660 IBXSMKXZJCFXOU-FUJGBLOQSA-N 430.319 5.366 30 20 IKED N#Cc1ccc2ncc(/C=C\C(=O)c3ccc(-c4ccccc4Br)s3)n2c1 736434143 OQLNYGBCOSAZFF-SREVYHEPSA-N 434.318 5.593 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Cc3cccc(C(F)(F)F)c3)n2)cc1 739158712 CWQCIOKMLYPCFB-KUHUBIRLSA-N 444.478 5.893 30 20 IKED O=C(O)COc1ccc(/C=C\C(=O)c2ccc(Cl)cc2Cl)cc1Br 742429370 NPHMVYAEJALUQW-KTAJNNJTSA-N 430.081 5.115 30 20 IKED Cc1ccc(N2C(=O)CC[C@H](C(=O)N[C@H](C)c3cccc(C#N)c3)[C@@H]2c2cccs2)cc1 743776935 KSCIEDBZHXCDFA-WSUBETFTSA-N 443.572 5.290 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1 746251696 GBPDZFKVIIKLAM-RSXGOPAZSA-N 444.506 5.005 30 20 IKED Cn1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1-c1ccc(F)cc1 750396997 JEIBFZWVNWFPTA-OAHLLOKOSA-N 443.425 5.950 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1cc(Cl)sc1Cl)c1nc(-c2ccccc2)cs1 756239686 CJVWWZSEYIHPHM-ZDUSSCGKSA-N 435.357 6.018 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(Br)cc(C(F)(F)F)c1 756510627 WIWGKVHYXBBUEJ-CQSZACIVSA-N 445.622 5.082 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)CC(=O)c3ccc(Cl)cc3)n2)cc1 760202263 QDWGQFQRNOXKJE-AUUYWEPGSA-N 438.936 5.557 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1ccccc1CSc1nc2ccccc2o1 760797731 UUZNHBUOIMDJFZ-UHFFFAOYSA-N 433.464 5.414 30 20 IKED CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1ccccc1Oc1ccc(F)cc1Cl 763407207 KDCAQNQIYAAUFU-UHFFFAOYSA-N 446.935 5.125 30 20 IKED N#CCCn1cc(CN2CCCCC[C@H]2C[C@@H](O)c2cccs2)c(-c2ccccc2)n1 770297298 YRYIRBIIIJRTJF-XZOQPEGZSA-N 434.609 5.394 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)C3(CCOCc4ccccc4)CC3)n2)cc1 770839980 DQPREFKOIXKPLI-OAQYLSRUSA-N 432.545 5.382 30 20 IKED C=CCCC(=O)Nc1ccc(COC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 774575548 MCXYWAGKADNEED-UHFFFAOYSA-N 432.524 5.151 30 20 IKED Cn1cc(C=NNc2nc3cc(C(F)(F)F)ccc3s2)c(-c2ccc(C#N)cc2)n1 777887269 AKRGBWDFEDRYBH-UHFFFAOYSA-N 426.427 5.033 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccccc1O[C@@H](C)C#N 780148391 LSEVYLGHXKYNDH-ZDUSSCGKSA-N 427.913 5.227 30 20 IKED N#C[C@H](C(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2ccccc2n1 780302092 LWOBBOHSVCIJFK-INIZCTEOSA-N 438.327 5.528 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H](c2ccc(Br)s2)C2CC2)ccc1OC 784042143 GZFDIIJOUYYXDG-FOIQADDNSA-N 435.387 5.441 30 20 IKED C=C[C@](C)(CC)C(=O)OCc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1 785759112 HDSJGPQBEWLJQE-LJQANCHMSA-N 426.460 5.492 30 20 IKED CC(C)(C)OC(=O)NCc1cccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1 786924014 XEJZRNBUNKFMJT-KRWDZBQOSA-N 434.323 5.013 30 20 IKED COc1ccc2c(c1)CN(C(=O)Nc1ccccc1O[C@@H](C)C#N)[C@@H](c1ccccc1)C2 787434190 RNCMLVNHNPTJLT-MHECFPHRSA-N 427.504 5.318 30 20 IKED CC(C)(C)OC(=O)N1CCCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)c2ccccc21 789958435 GNKGKTHKIQJFIK-UHFFFAOYSA-N 444.491 5.005 30 20 IKED CCn1c(-c2ccc(F)cc2)nn(CN(CCC(F)(F)F)CC(F)(F)F)c1=S 790402610 CUCPIDDQWZMFRU-UHFFFAOYSA-N 430.393 5.014 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3CCOc4c3ccc(Cl)c4Cl)cc2)nc1 792695569 UCCCHPBJKRXSAP-GOSISDBHSA-N 440.286 5.306 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c1 796353824 RAWCNHNAICHCCG-UHFFFAOYSA-N 443.547 5.190 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)Nc2ccccc2SCc2ccccc2)CC1 800514920 QOURDZDNQLFNTQ-UHFFFAOYSA-N 428.561 5.463 30 20 IKED CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 802678149 TWDZZHHRPPTMPP-QHCPKHFHSA-N 449.986 5.076 30 20 IKED CC(=O)c1oc2cc(C)ccc2c1CC(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 805855145 DWKXYOZWMJVIHC-GOSISDBHSA-N 443.286 5.141 30 20 IKED CC1(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)CCN(c2ccc(Cl)cc2C#N)CC1 805946961 AMRYGJGJIPOWDM-QGZVFWFLSA-N 441.000 5.449 30 20 IKED CC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(OC)c(OC)c1 806200304 CRXZVCDHHGZLOT-GOTSBHOMSA-N 429.520 5.632 30 20 IKED O=C(/C(=C\c1ccc(-n2cncn2)c(F)c1)c1nc2ccccc2s1)c1ccccc1 844239242 GNTKDTVRUWCPIJ-LDADJPATSA-N 426.476 5.440 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 915086399 JTSJFPGMZXVXRA-JOCHJYFZSA-N 426.476 5.103 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccc(Br)s2)cc1 915353002 KUWKGONIXIGSLR-IBGZPJMESA-N 440.366 5.530 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1Cl 916056427 DOGIEEGVDNABSL-LJQANCHMSA-N 436.811 5.064 30 20 IKED CCCOc1ccc(C=Nn2c(C)nc3sc4c(c3c2=O)CCCCC4)cc1OCC 916273345 YKLDBZKRMDFZPJ-UHFFFAOYSA-N 439.581 5.105 30 20 IKED N#CCOc1cccc(NC(=O)[C@@H](Oc2ccc(Br)cc2)c2ccccc2)c1 916410175 ZMCOJOADAZBYPB-NRFANRHFSA-N 437.293 5.110 30 20 IKED COc1ccccc1-c1nnc(S)n1N=Cc1c(-c2ccccc2)[nH]c2ccccc12 916584146 XROQNCMEMDMOHG-UHFFFAOYSA-N 425.517 5.273 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(F)cc3Br)n2)cc1 916650309 CGHOFLFKVTYNJU-OAHLLOKOSA-N 445.313 5.275 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1 916900100 MMZXYAUIJKXCOF-MAUKXSAKSA-N 442.943 5.069 30 20 IKED N#C[C@H](C(=O)CCc1ccccc1Br)c1nc(-c2ccc(Cl)cc2)cs1 916976444 OJJOMKFIYXBVGG-MRXNPFEDSA-N 445.769 6.035 30 20 IKED COc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1Cl 916976509 QFXKUGVDXDUXSZ-INIZCTEOSA-N 431.344 5.935 30 20 IKED CCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916995779 HKVJQZGWVJKPDB-QGZVFWFLSA-N 431.344 5.935 30 20 IKED N#Cc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916997866 ZBRNUQXINHXGBH-QGZVFWFLSA-N 426.328 5.798 30 20 IKED N#C[C@H](C(=O)/C=C/c1cnc2ccccc2n1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 917031598 ZOKPLGYDKVWNPX-LXWFORDYSA-N 440.572 5.444 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)NCCCN1c2ccccc2Sc2ccccc21 918213962 TUCRTULSVYOKIA-UHFFFAOYSA-N 428.561 5.393 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\COc3ccc(C(C)C)cc3C2=O)cs1 920069056 ZPARXUANIWIALS-LICLKQGHSA-N 436.508 5.749 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1 920101900 MQCGSIFNGCZJLG-IBGZPJMESA-N 427.529 5.351 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Sc3ccc(Cl)cc3)n2)cc1 920138867 LLFLGRUIMCVTEG-ACJLOTCBSA-N 428.966 5.829 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2ccccc2SCc2ccco2)cc1 927650335 XFIFIQNSENLYDC-IBGZPJMESA-N 448.544 5.373 30 20 IKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)s1 1787283199 QSKZOWCPQKUHOW-UHFFFAOYSA-N 429.545 5.184 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C(F)F)no3)cc2)CCC1 1788308186 QTEKUFMQCNDNEO-KRWDZBQOSA-N 429.467 5.128 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5cccc(Cl)c45)cc3)CCC2)C1 1789393118 OYRFAZBKLZYOSY-UHFFFAOYSA-N 433.939 5.535 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cccc(Cl)c34)cc2)CCC1 1789393849 BIYWEVXCMMISKX-UHFFFAOYSA-N 433.939 5.373 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnc(C(C)(C)C)cn3)CCC2)cc1 1789454145 REOAIMOSYXRFSX-OAQYLSRUSA-N 446.595 5.290 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@@H]4Sc5ccccc5[C@H]43)cc2)CCC1 1789529405 GVGCSRKNCYKNAM-YMPRXVIZSA-N 432.589 5.221 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)c(F)c(Cl)c3)cc2)CCC1 1790774156 YLEXWDLTJSAKIN-UHFFFAOYSA-N 433.310 5.294 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)[nH]n3)CCC2)cc1 1791249116 KQTJJVUEGQEMQL-SFHVURJKSA-N 428.536 5.037 30 20 IKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc3c1oc1ccccc13)C2 1793055038 QFIXJGZUMQTOKV-WKCHPHFGSA-N 442.559 5.606 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2Cl)[C@H]1c1cccnc1 1810501526 AZIUJJURBSMWKI-UGKGYDQZSA-N 439.987 5.047 30 20 IKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C(C)(C)C)s3)[nH]n2)C1 1814394273 MEOZWSQCKUENSO-KRWDZBQOSA-N 426.586 5.041 30 20 IKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2-c2ccc(C)cc2)[nH]n1 1822401522 UAURBKQCPYFGRJ-HSZRJFAPSA-N 428.536 5.267 30 20 IKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCC3CCCC3)CC2)cc1 1823683719 HPMZWHIEFJOIFO-AREMUKBSSA-N 449.639 5.081 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)c2ccc(O)cc2)CC1 1823753681 XPUXHUIFQXGDRO-HYBUGGRVSA-N 440.628 5.108 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C(C)=C/c2cccs2)CC1 1828825301 UXISKKOZWBUZKJ-PHMFPNPQSA-N 440.653 5.540 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3[nH]c(C)cc3c2)CC1 1828829373 CEWVOYPXQNPFNE-AOYPEHQESA-N 447.623 5.478 30 20 IKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)cccc2Cl)CC1)C(F)(F)F 1830598653 JMMXIFMADOKWPG-SFHVURJKSA-N 442.909 5.000 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2cccc(O)c2)c(C)c1 10168649 UKVQUYANEPASAR-UHFFFAOYSA-O 433.597 5.645 30 20 IKED O=C(/C(=C(/S)Nc1cc(Cl)cc(Cl)c1)[n+]1ccccc1)c1ccc(F)cc1F 10179234 FJQXRZKCGJDDIT-UHFFFAOYSA-O 438.306 5.610 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)cc1)=C(/S)Nc1cc(Cl)cc(Cl)c1 22733031 CBWCZTMMHXSLGE-UHFFFAOYSA-O 444.407 6.203 30 20 IKED C=CCSc1ccccc1NC(=O)COC(=O)c1csc(-c2cccc(Cl)c2)n1 26682002 DVYOVJIKGAGQKI-UHFFFAOYSA-N 444.965 5.537 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2C(=O)c2cc(C)ccc2C)cc1 26838714 FEUUWHXFRYDIBC-UHFFFAOYSA-N 427.504 5.094 30 20 IKED COCCCn1c(S[C@H](C#N)Cc2ccc(C)cc2)nnc1-c1ccccc1Cl 29848650 UFWJSVWGMIOFCH-SFHVURJKSA-N 426.973 5.170 30 20 IKED C=CCn1c(SCC(=O)N2CCC[C@H]2C(C)C)nnc1-c1ccc(Cl)cc1Cl 64322686 KADMFDQMINOOTA-KRWDZBQOSA-N 439.412 5.177 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1nc2ccccc2n1C1CCCCC1)c1ccccc1 110895617 IRNSKTSIYVXRKV-UHFFFAOYSA-N 443.551 5.207 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc(-c3ccccc3Cl)cs2)c1 303142713 MLXQAIUTSZKPEC-UHFFFAOYSA-N 435.892 5.759 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]1c1nc2ccccc2s1 303363748 HYHUWHHSIIQTIA-APWZRJJASA-N 436.606 5.324 30 20 IKED Cc1cccc(NC2CCN(C(=O)c3cccc(COc4ccc(C#N)cc4)c3)CC2)c1 303812284 CVUGEHDSZOKJII-UHFFFAOYSA-N 425.532 5.162 30 20 IKED COc1cccc(/C=C(/CC(=O)N(C[C@@H](C)C#N)C2CC2)c2nc3ccccc3s2)c1 426973605 KZQPZYYSYABCHQ-LSPINASFSA-N 431.561 5.386 30 20 IKED Cc1cc(CNC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1-c1ccccc1 427508837 FZSBAUOHYHAXGW-IBGZPJMESA-N 443.572 5.311 30 20 IKED CC[C@@H](C)n1c(SCC(=O)Nc2ccc(C#N)cc2Cl)nnc1-c1ccccc1 430353925 JKDNDPVAECONQC-CQSZACIVSA-N 425.945 5.172 30 20 IKED C[C@H](c1cccc(Br)c1)N1CC(=O)N([C@H](CCCC#N)c2ccccc2)C1=O 432032801 NGLADIUYHMKNRF-OXQOHEQNSA-N 440.341 5.209 30 20 IKED COc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)n[nH]2)cc1OC 435457835 GUCNQUFHDPFQHZ-KRWDZBQOSA-N 444.516 5.016 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 441098978 VLCAODHYZJHVDH-AUUYWEPGSA-N 439.972 5.980 30 20 IKED Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)c1cn(CCCC#N)c2ccccc12 444135692 CMAUHZPLOYZXIK-VWLOTQADSA-N 437.547 5.628 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(-c2nc(CC(=O)Nc3c(C)cccc3C)no2)cc1 445323436 SFMGCTRQMFXWRS-UHFFFAOYSA-N 438.487 5.507 30 20 IKED C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(C)[C@H](C)c1ccc(-c2ccccc2OC)cc1 460776248 WCYOVIVGGCZHBA-DVECYGJZSA-N 432.568 5.579 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cnc(O)c(Br)c3)cc2Cl)cc1 460924721 KDQHYCGLXXROLH-UHFFFAOYSA-N 444.672 5.119 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 465807974 IDUBGLATWPURPW-AOYPEHQESA-N 449.558 5.066 30 20 IKED CC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1c(C)nn(C)c1C 466292020 YWIMPUPTYAVUCM-RBBKRZOGSA-N 435.959 5.619 30 20 IKED COc1ccc([C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)c2ccccc2Cl)c(C)c1 466378159 KKQCYACNGKFXHC-XMMPIXPASA-N 433.939 5.460 30 20 IKED Cc1ccc(-c2cncc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c2)cc1 467064037 UHQLVCMXUYYRGN-LJQANCHMSA-N 440.528 5.136 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)c1 468647922 MHJHPEYOPVZKFD-ISKFKSNPSA-N 435.911 5.071 30 20 IKED CC(C)c1nn(-c2ccccc2)cc1CNc1ccc2c(c1)CCC(=O)N2CCCC#N 468832423 DAYCFACLWLFYJM-UHFFFAOYSA-N 427.552 5.191 30 20 IKED COc1ccc([C@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1Br 468982175 KREADFGOBVSJHG-HNNXBMFYSA-N 442.357 5.214 30 20 IKED Cc1ccc(NC(=O)C[C@@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c(Cl)c1 469083180 SMUGEIVRSAYLRG-QGZVFWFLSA-N 438.959 5.061 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3ccc(OCc4ccccc4)cc3C)C2)n1 471930734 QOALBJCTDJTMFR-HSZRJFAPSA-N 440.547 5.004 30 20 IKED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)c1 473390065 PZSLRNYDLPFQFX-HSZRJFAPSA-N 435.483 5.101 30 20 IKED N#CCC[C@@H](NC(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1)c1ccccc1 473735397 REJWPCJNLFYFRJ-FYYLOGMGSA-N 431.515 5.497 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C)c(Br)c3)n2)cc1 473942297 UYARMYJQRCCKJD-MRXNPFEDSA-N 427.323 5.380 30 20 IKED COc1cccc([C@H](NC(=O)C[C@@H](CC#N)c2ccccc2)c2cc(F)ccc2OC)c1 476246974 PMRFXFPHMJZJNK-BCHFMIIMSA-N 432.495 5.136 30 20 IKED N#CC[C@H](CC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccccc1 476896140 ZZHJFYCXFZBDTO-AEFFLSMTSA-N 428.376 5.903 30 20 IKED Cn1cc(-c2cc(F)ccc2NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cn1 477686943 AKPBRIXOPGCRMC-UHFFFAOYSA-N 430.414 5.282 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Cl)cc3Br)o2)cc1 478927086 FKJDKZBQFOPSKI-UHFFFAOYSA-N 431.673 5.398 30 20 IKED C=C(C)Cn1c(SCC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)nnc1-c1ccco1 479900620 KMYVCXYRKGKUMV-HXUWFJFHSA-N 442.972 5.127 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(CC)cccc2CC)nnc1-c1ccccc1C 481346057 SWIVPGQDWMUNSW-SFHVURJKSA-N 434.609 5.684 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H]3c3ccc(F)cc3)cc2F)c1 481575768 RQDUGDAHRAIVRT-QHCPKHFHSA-N 433.458 5.784 30 20 IKED Cn1ccnc1[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(Cl)cc1 481933002 SDEFXKFBIVNWDS-QHCPKHFHSA-N 442.906 5.257 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1cnc2ccccc2n1 483219224 SJPQBWSSOCMCHU-QGZVFWFLSA-N 444.834 5.474 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3nccc4ccccc34)c3cnn(C(C)C)c3n2)cc1 483242897 VKSUAAXZXSUIDI-HSZRJFAPSA-N 445.526 6.026 30 20 IKED CC(C)[C@](C)(NCc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(Br)cc1 484332188 QVERWURIMTUBFV-NRFANRHFSA-N 425.330 5.032 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3C[C@@H]3c3ccc(C(F)(F)F)cc3)s2)cc1 487389883 UQRMHYOTWXJAQT-MOPGFXCFSA-N 427.451 5.367 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CSc2ccc(Br)cc21 488312594 VHIJCKHZDCBRRL-LRDDRELGSA-N 448.411 5.669 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)CSCc1cc(-c2cccs2)on1 488805646 MVECOFCCELRVAW-UHFFFAOYSA-N 435.530 5.334 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)nnc1-c1ccccn1 488924432 YWNIAVORFOUIHN-ROUUACIJSA-N 443.576 5.037 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)N(Cc3ccccc3)C(C)C)o2)cc1 489745717 NYYPPPKQJKBAAR-SFHVURJKSA-N 437.565 5.219 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)o3)CCO2)c1 492942078 APZGJRRHFPAKEN-NRFANRHFSA-N 426.394 5.051 30 20 IKED Cc1noc(C)c1CSc1ccccc1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 501138927 YJFTYZMMHUAQBJ-UHFFFAOYSA-N 446.557 5.831 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(Br)c1Cl 504091357 KJNYNFZFIKZDLE-UHFFFAOYSA-N 442.700 5.722 30 20 IKED COc1cccc(NC(=O)CSc2nc(-c3ccc(C)o3)cc(C(F)(F)F)c2C#N)c1 504546775 LBXKRGSPPBXNFM-UHFFFAOYSA-N 447.438 5.280 30 20 IKED CC(C)Cn1ncc(C(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1C(F)F 505358860 DXUFYOULCRZLJA-CQSZACIVSA-N 443.338 5.529 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnc3onc(C(C)C)c3c2)cc1 505691601 IKSHIVOQIFVBSO-UHFFFAOYSA-N 428.448 5.271 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C)nc2ccc(Br)cc12 509120665 DYLSTPYWVHOYSJ-UHFFFAOYSA-N 440.297 5.042 30 20 IKED N#Cc1cccc(CNC(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)c1 509896941 VTYQBCLALJAJAE-UHFFFAOYSA-N 438.409 5.151 30 20 IKED CN(Cc1ccccc1-c1ccccc1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 509942236 IBHGJDXOWFTGGK-UHFFFAOYSA-N 427.523 5.239 30 20 IKED CCOCc1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 511440019 QUXGOPNWESERFF-UHFFFAOYSA-N 429.520 5.190 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccccc1OC[C@H]1CCCO1 511567448 ZFBKKGUTOUJJJP-JOCHJYFZSA-N 428.488 5.469 30 20 IKED Cc1ccc2nc(COc3cccc(C(=O)[C@@H](C#N)c4nc5ccccc5s4)c3)cn2c1 513654922 OJWWKENUSWOMCI-HXUWFJFHSA-N 438.512 5.322 30 20 IKED CCc1cccc2c1OCC[C@H]2NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 513984443 CKABJKKJNPZJGF-RUZDIDTESA-N 441.531 5.539 30 20 IKED C=CCN(Cc1cccs1)C(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 514464186 YLZUCJQSELVTQU-UHFFFAOYSA-N 448.972 5.991 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccnc(OCc4ccccc4)c3)n2)cc1 516270108 NBOGAPJUSVXOQX-OAQYLSRUSA-N 441.512 5.283 30 20 IKED Cc1nccn1-c1ccc(CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1F 521596560 ZCZVFGUNVIPRHD-UHFFFAOYSA-N 444.441 5.053 30 20 IKED Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 522702600 UTFGDBQHRCAORH-IEBWSBKVSA-N 426.561 5.319 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(OC2CCCCC2)c1 523112677 WUZMODUBWGKPRO-UHFFFAOYSA-N 427.504 6.018 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3cccc(Cl)c3Cl)c2)cc1 526135249 NVWSCHNZOOGQAI-UHFFFAOYSA-N 426.259 5.235 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC=C(c2c[nH]c3cc(F)ccc23)CC1 533491421 UUECAPWKWYHKQX-KRWDZBQOSA-N 448.567 5.429 30 20 IKED Cc1cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)n(-c2ccccn2)n1 534906098 XKPHJLGERMCAKU-UHFFFAOYSA-N 429.867 5.145 30 20 IKED C=CCN(C(=O)c1ccc(OC)c(-c2ccccn2)c1)c1nc(-c2ccccc2)cs1 535093581 CZVYXLOHBQAAPP-UHFFFAOYSA-N 427.529 5.714 30 20 IKED CC(C)[C@H](NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nc(C2CC2)no1 542035645 LYCKKBNMXSZDTK-AOMKIAJQSA-N 429.524 5.243 30 20 IKED N#C[C@H](C(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cn1 542284085 ZYIOZEILBRGAGH-ZDUSSCGKSA-N 425.288 5.264 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)c1nc(-c2ccccc2)cs1 543516728 YZELRMAAKSHJRC-IRXDYDNUSA-N 436.606 5.494 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ncc(-c3ccccc3)[nH]2)cc1 543874751 OELXKHACCXXBNW-UHFFFAOYSA-N 437.503 5.043 30 20 IKED C[C@@H](CNC(=O)c1ccccc1)c1noc(-c2ccc(Oc3cccc(F)c3C#N)cc2)n1 547179473 UZKCHIYORQRMMB-INIZCTEOSA-N 442.450 5.073 30 20 IKED Cc1ccc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1-c1ncco1 557575212 KAGYEUQMLWGYMI-UHFFFAOYSA-N 434.927 5.420 30 20 IKED CC[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1nc(C(F)(F)F)cs1 558510566 AGTQDYKIJKKCLL-MRXNPFEDSA-N 447.442 5.494 30 20 IKED C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(OC(C)(C)C)CC1 559005689 TYGNQFFJPHRWTF-UHFFFAOYSA-N 433.394 5.068 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3CCCC[C@@H]3c3cccc(Cl)c3)CC2)c(F)c1 560695103 ZXBXWTNURVCXSE-JOCHJYFZSA-N 425.935 5.321 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@@H](c4nc5ccccc5o4)C3)cc2)ccn1 589363791 MSSYMMPAJDOVDY-QGZVFWFLSA-N 439.475 5.298 30 20 IKED COCCOc1ccc(F)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 589371266 VBSKTFQTMICUFZ-UHFFFAOYSA-N 425.300 5.141 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)o2)cc1 590388466 CCALDSSHHRFZTG-FQEVSTJZSA-N 425.469 5.344 30 20 IKED CCC[C@H](CNC(=O)CSc1nnc(C)c(C)c1C#N)c1ccc(Cl)cc1Cl 601716370 BOVXUJDFPJKOSS-CQSZACIVSA-N 437.396 5.064 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(N2CCc3sccc3C2)nc1 603458586 WTNZKLXQEHJRTD-UHFFFAOYSA-N 436.540 5.497 30 20 IKED CCOc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1 603660281 FUNPIQXSIRSZMQ-IBGZPJMESA-N 433.430 5.267 30 20 IKED CCCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@H](C)c1ccccc1OC 604499550 GHNGABJCRAGIAF-GOSISDBHSA-N 430.508 5.759 30 20 IKED CCCN(C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@H](CC)c1ccccc1 604507383 HNPMLZLLSBWRKF-HSZRJFAPSA-N 442.519 5.074 30 20 IKED C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1OC(F)F)c1ccccc1C(F)(F)F 607793673 HKAXVLZHEVZBSD-SECBINFHSA-N 425.300 5.650 30 20 IKED C/C=C\c1ccc(OCC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c(OC)c1 609028548 CNVMRSMZKZQUHP-VNXKIIKZSA-N 442.515 5.067 30 20 IKED CCc1c(C)sc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c1C#N 609032660 YIRDXUFIPHHYSD-QGZVFWFLSA-N 436.364 5.041 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc(Cl)c1F 609379057 IVMSUXVVOIFQLU-UHFFFAOYSA-N 438.855 5.304 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCS[C@@H](c4ccccc4)C3)cc2F)c1 609807778 ONJAZOAVYQNHDW-XMMPIXPASA-N 447.535 5.598 30 20 IKED CCc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)o1 609807846 SKWWYMQZFYFITQ-QFIPXVFZSA-N 428.492 5.335 30 20 IKED N#CCCn1cc([C@H]2Nc3ccc(Cl)cc3C(=O)N2CC2CC2)c(-c2ccccc2)n1 610137405 CCGFFQUMIGDYPT-QHCPKHFHSA-N 431.927 5.094 30 20 IKED N#CCCCOc1cccnc1NC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 610434240 BPYGJIJROHQLQL-UHFFFAOYSA-N 432.427 5.159 30 20 IKED C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 611556546 YIDCIXJYIPMRLB-SIXWZSSISA-N 435.877 6.190 30 20 IKED N#C[C@H](C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccc2ccccc2n1 613290883 OLRDSMSBRJIIGN-INIZCTEOSA-N 431.904 5.692 30 20 IKED C=CCN(Cc1cccs1)C(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1 616147266 OXABJUGMAAWUNE-UHFFFAOYSA-N 434.565 5.598 30 20 IKED CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 618847721 GDXCEHSIDVADGG-DEOSSOPVSA-N 445.542 5.129 30 20 IKED C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674459167 HMDNJWHIVSLWQC-ZHAHWJHGSA-N 447.301 5.489 30 20 IKED C#Cc1cccc(NC(=S)Nc2ccc(C(=O)N(C)C3CCCCC3)c(Cl)c2)c1 726469493 MZFJQGUNGFDPQB-UHFFFAOYSA-N 425.985 5.535 30 20 IKED CC(=NNc1ncc(C(F)(F)F)cc1Cl)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 727249972 BQNIETDRZNNELN-UHFFFAOYSA-N 431.758 5.023 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccccc3OCC(F)(F)F)n2)cc1 727955152 ZRMIOVSBGRFTHW-MRXNPFEDSA-N 446.450 5.315 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1 728062396 MXIDGZVWRSNLIQ-LJQANCHMSA-N 427.548 5.701 30 20 IKED C#Cc1cccc(N(C(=O)c2nc(CC)n(-c3c(Cl)cccc3Cl)n2)C(C)C)c1 728245713 GOFWYHHRKBJTJG-UHFFFAOYSA-N 427.335 5.173 30 20 IKED CN(CC1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1)C(=O)OC(C)(C)C 728893087 FUHWWFRNZOJSLS-UHFFFAOYSA-N 449.551 5.070 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccccc2OCC#N)c(C(F)(F)F)c1 729654848 FJJKTNKNMPIBOD-UHFFFAOYSA-N 435.402 5.207 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)ccc1F 730483678 FPNXRSYKSNDORI-UHFFFAOYSA-N 447.466 6.089 30 20 IKED C=CCN1C(=O)N[C@H](c2nc(-c3ccccc3)cs2)C(C(=O)Nc2ccc(F)cc2)=C1C 731421253 GVQJDURUACCZPI-NRFANRHFSA-N 448.523 5.114 30 20 IKED N#C[C@H]1C(CN(Cc2cccs2)c2ccc(F)cc2)=CC(=O)n2c1nc1ccccc12 733309758 YIRUOAKCTPLMDR-FQEVSTJZSA-N 428.492 5.131 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 739155713 SZQOIHUFHLWVGS-MGPUTAFESA-N 430.470 5.671 30 20 IKED CC(C)Cn1c(-c2ccc(Cl)cc2Cl)nn(CN(CCC#N)C(C)C)c1=S 739841287 FZENLSOILQKOCB-UHFFFAOYSA-N 426.417 5.625 30 20 IKED C[C@@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCN1Cc1ccccc1 743093179 NYHDOPRLSKJPAG-AMGIVPHBSA-N 438.575 5.470 30 20 IKED CCc1ccccc1NC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccc(C#N)o1 743738810 NCLQVNCICVQOGV-HSZRJFAPSA-N 442.544 5.062 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccc(Br)cc3F)n2)cc1 745312997 HHPVAONEFZXKHB-QGZVFWFLSA-N 443.341 5.829 30 20 IKED CCc1ccc(OCc2nn(CN(C)C[C@H](C)C#N)c(=S)n2[C@H](C)c2ccccc2)cc1 746705844 CCTRCAQWTJOQQX-WOJBJXKFSA-N 449.624 5.214 30 20 IKED COc1cc(/C=C(\C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cc(OC)c1 747155210 SFFZMRLDEPRIRW-HMAPJEAMSA-N 449.934 5.879 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)n1 747193021 CKVYBOQZOTUVPP-QZTJIDSGSA-N 427.570 5.489 30 20 IKED C#CC[C@@H](OC(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(C)C 747195639 HWFNZLJIOSNURL-MAUKXSAKSA-N 440.590 5.277 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(-c3ccc(Br)cc3)n2C)n1 747197577 IIGDPCJKZPAHHX-HNNXBMFYSA-N 428.355 5.525 30 20 IKED CC(=NNc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccc(N2CCOC2=O)cc1 748583562 ZZSQMEDIDVYJGT-UHFFFAOYSA-N 447.495 5.290 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 749361020 GCNVHPZSRLFWGI-UHFFFAOYSA-N 437.528 5.144 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 749361101 RAWRXVKTCIPTLR-UHFFFAOYSA-N 430.895 5.063 30 20 IKED Cc1sc([C@@H](C)NC(=O)NCc2cc(C#N)ccc2F)nc1-c1ccc(Cl)cc1 755172937 FQMQGHKEMHHQTF-GFCCVEGCSA-N 428.920 5.343 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1cc(Cl)sc1Cl)c1nc2cc(F)ccc2s1 756274769 JMJIWAZYBMCJIB-SNVBAGLBSA-N 427.309 5.643 30 20 IKED CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1 758497584 RYCIRASJWQVYIX-UHFFFAOYSA-N 446.507 5.054 30 20 IKED Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1cnn(CCC#N)c1-c1ccccc1 759055757 VTDYQVOTFNVEHO-LJQANCHMSA-N 444.535 5.080 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(NC(=O)c2cccs2)c(C)c1 759871989 XIMQEYYELXTASJ-UHFFFAOYSA-N 440.528 5.058 30 20 IKED Cc1sc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c(C(N)=O)c1C 761670901 WLOOFCBCTOZHNG-UHFFFAOYSA-N 425.897 5.034 30 20 IKED C#CCOc1cccc(-c2noc(CSc3nnc(-c4ccc5ccccc5c4)o3)n2)c1 761781522 IXDBCMYPFGZEKF-UHFFFAOYSA-N 440.484 5.244 30 20 IKED COc1ccc(/C=C\C(=O)c2ccc(-n3ccnc3C)cc2)c(OCc2cccnc2)c1 766492511 YPAMRIJUJPPEDV-WQLSENKSSA-N 425.488 5.059 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H](O)c1ccc(-c2ccccc2)cc1 767764161 UKXCOGFYTLCBRJ-MBSDFSHPSA-N 431.561 5.460 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H](C)Oc1cccc2ccccc12 769350227 APSVBFRIAYLPSI-QZTJIDSGSA-N 448.544 5.183 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 770440010 AAKYTCANWFNRRZ-LPHOPBHVSA-N 446.617 5.286 30 20 IKED N#C[C@H](C(=O)NC1CCCCC1)C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 772643767 FLGPKEXPNAOPQM-INIZCTEOSA-N 436.455 5.085 30 20 IKED COc1cc(/C=C/C(=O)c2cc3c(s2)SCC(=O)N3)ccc1OCc1ccccc1 779462066 GXVQFOLCDMBWCP-VQHVLOKHSA-N 437.542 5.276 30 20 IKED COc1cccc([C@@H](NC(=O)Nc2ccccc2O[C@@H](C)C#N)c2cc(F)ccc2OC)c1 780681848 QRJFGZPVIZSMEJ-UPCLLVRISA-N 449.482 5.045 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1Br 782124823 WCOUIRAYYBWANK-CQSZACIVSA-N 441.354 5.139 30 20 IKED CCOC(=O)N1C/C(=C\c2ccc3cnccc3c2)C(=O)/C(=C/c2ccc3cnccc3c2)C1 782303125 VZFAHOBIWLBQDA-BKHCZYBLSA-N 449.510 5.291 30 20 IKED C[C@H](NC(=O)N1CCC([C@@H](O)c2ccccc2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 782755173 NYNZKUWHSAKCEE-DCFHFQCYSA-N 439.559 5.441 30 20 IKED COc1cccc(C(=O)/C(=C\c2ccc(OC(F)F)c(Br)c2)c2ncc[nH]2)c1 787169140 MRMUUFPOAFDQNW-OQLLNIDSSA-N 449.251 5.206 30 20 IKED C=CCn1c(COc2ccccc2)nn(CN2CC[C@@H](C(F)(F)F)C(C)(C)C2)c1=S 790460038 IKKADZAWNNLMII-QGZVFWFLSA-N 440.535 5.047 30 20 IKED CCCCn1ncc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1C(C)C 792418084 HWPJUZSNUKZWPR-JOCHJYFZSA-N 443.551 5.039 30 20 IKED Cc1cc([C@H](OC(=O)c2c(F)cc(C#N)cc2F)C(F)(F)F)ccc1Br 792779816 COAOHXDSUYRKFW-HNNXBMFYSA-N 434.158 5.368 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(c3cncc(Br)c3)CC2)cc1 798394728 NJLLWUDCDJCIKJ-NRFANRHFSA-N 432.321 5.170 30 20 IKED C=CCCc1ccccc1NC(=O)N1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 800576625 SETYSVXEWVSGEZ-IRLDBZIGSA-N 427.589 5.449 30 20 IKED O=C(C[C@@H]1SC(=Nc2ccsc2)N(CCC2(F)CCC2)C1=O)Nc1ccccc1F 807940093 UDPMVXOROCLUNU-KRWDZBQOSA-N 449.548 5.130 30 20 IKED Cc1nc(NC(=O)c2ccc(Cl)cc2NC(=O)c2ccoc2C)sc1SCC#N 813432776 TUBXCUAHBUIVQL-UHFFFAOYSA-N 446.941 5.127 30 20 IKED CC(C)[C@](C)(Cc1ccc(Cl)cc1)NCC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N 815202859 ZFGLSILFSAXRJE-NLFFAJNJSA-N 432.955 5.124 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)cc1 815799015 BCALWPUCSUYYMX-RPBOFIJWSA-N 435.527 5.034 30 20 IKED C[C@@H](Cc1noc(-c2cccc(Oc3ccc(C#N)cc3)c2)n1)N(C)C(=O)OC(C)(C)C 904653845 DMGGPMLNUWHHHY-INIZCTEOSA-N 434.496 5.198 30 20 IKED N#C[C@H](C(=O)CCc1cnn(-c2ccccc2)c1)c1nc(-c2ccc(Cl)cc2)cs1 915101828 LZMVYYLVMSULCX-HXUWFJFHSA-N 432.936 5.458 30 20 IKED C=CCN1C(=S)N[C@H](c2cccs2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 916166665 CUYUEOHSTQSHAZ-QGZVFWFLSA-N 437.512 5.097 30 20 IKED COc1ccc(/C=C\C(=O)C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 916845330 SPXOSCVDZCWBRV-QINSGFPZSA-N 442.565 6.329 30 20 IKED N#C[C@H](C(=O)CCSc1ccc(Cl)cc1)C(=O)Nc1ccc(SC(F)F)cc1 916883481 LHCVVVVKDMUNDM-MRXNPFEDSA-N 440.924 5.484 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 916902601 GAMKAUHREXMSED-OAQYLSRUSA-N 448.954 5.229 30 20 IKED COc1ccc(S[C@@H](C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917044724 UFKNXMILCRBBNU-XHDPSFHLSA-N 436.480 5.681 30 20 IKED CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc2ccccc2c1 917700552 JIMURRWVCDQZIY-QFIPXVFZSA-N 445.544 5.023 30 20 IKED CCC(CC)[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 918427271 HCQATUKTSYJNKO-IZZNHLLZSA-N 439.559 5.574 30 20 IKED C=CCn1c(CCN2CCCCC2)nn(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)c1=S 919942564 ZNOJCHYMVRFBSJ-QFIPXVFZSA-N 445.652 5.102 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\COc3c(C)cc(C)cc3C2=O)cs1 920069589 VJBFAVKGKVIOMF-MHWRWJLKSA-N 438.936 5.757 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CSCc1ccc(Cl)cc1Cl 920109935 WOJKERNQSCKXNB-GOSISDBHSA-N 449.403 5.699 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ncc(-c4ccccc4)o3)n2)cc1 920144035 WPPJQPHIAOJULO-LJQANCHMSA-N 429.501 5.283 30 20 IKED CC(C)(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)C#N)CCC3)cc2)cc1 1790684843 XRYRMZRHPDKGTR-UHFFFAOYSA-N 433.552 5.161 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cccc4ccoc34)CCC2)cc1)C(F)(F)F 1791304577 GQFSMLAIUAQMPI-UHFFFAOYSA-N 428.410 5.299 30 20 IKED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1 1804177634 ZKRNCLAOUZKZGT-XUZZJYLKSA-N 445.673 5.003 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)s2)[C@H]1c1cccnc1 1805519734 KDPIWLODWZURPL-YLJYHZDGSA-N 446.016 5.109 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cccs2)[nH]n1 1819553083 RWARRTOCNHVJMN-LJQANCHMSA-N 428.602 5.089 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccoc3cn2)CC1 1823752992 AYGNDKYMHFYHQH-QFIPXVFZSA-N 437.584 5.054 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(-c3ccccc3)n2)CC1 1827763024 GGZBYMYUNXYAMF-LVXARBLLSA-N 445.607 5.194 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3occc3c2)CC1 1828256273 DNINWVODKHTFMU-RPWUZVMVSA-N 434.580 5.435 30 20 IKED C[C@@H]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828906470 NWJDEEAIEPHQPB-JRFVFWCSSA-N 444.736 5.093 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)cc2C)CC1 1832024702 CZBBCYULBKBQCM-QHCPKHFHSA-N 429.004 5.075 30 20 IKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C34CCC(CC3)CC4)CC2)c1 1832390554 XSZSMQMGWQAFKT-ZUYJMMGOSA-N 447.623 5.070 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc(F)ccc2F)CC1 1832774780 DQGAYWPUCCCCQD-HSZRJFAPSA-N 446.582 5.119 30 20 IKED C=CCn1c(SC[C@H](O)c2ccccc2)nc2scc(-c3cccs3)c2c1=O 9964602 DJGOKJXHIBWMQH-INIZCTEOSA-N 426.588 5.198 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2cccc(Br)c2)c1 15247654 YQAACAZITMMTAW-UHFFFAOYSA-O 426.359 5.096 30 20 IKED COc1ccc(N/C(S)=C(/C(=O)c2cc(C)[nH]c2C)[n+]2ccc(C(C)(C)C)cc2)cc1 23604247 LDOOTNJMENFXQH-UHFFFAOYSA-O 436.601 5.276 30 20 IKED N#C[C@H](C(=O)c1cc2c(s1)CCCCCC2)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 60488460 DQLGCOIQOZTQME-OAHLLOKOSA-N 437.590 5.074 30 20 IKED C=CCn1c(SCc2nc(-c3ccc(OCC)cc3)no2)nnc1-c1ccccc1F 219706945 AKQZLFLOSBEBSJ-UHFFFAOYSA-N 437.500 5.011 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 409897295 UFUWIWNSCUHRCI-UHFFFAOYSA-N 449.454 5.371 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2c(F)cccc2Oc2ccccc2)o1 410034694 AJENOHPICSTWSV-UHFFFAOYSA-N 428.419 5.914 30 20 IKED CNC(=O)c1cc(Oc2cccc(NC3CCC(C#N)(c4ccccc4)CC3)c2)ccn1 426297944 GHYHBMBWIXCADB-UHFFFAOYSA-N 426.520 5.050 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nc(Cc2ccccc2)no1 428880625 IOSQMMPZDWEASB-QGZVFWFLSA-N 439.475 5.207 30 20 IKED C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1cccc(SCC#N)c1 429941695 ZIAGSAQWDOHLTR-HZPDHXFCSA-N 441.984 5.611 30 20 IKED C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)C(c1ccccc1)c1ccccc1 432569818 RCXWLMLFBLZWES-HXUWFJFHSA-N 425.532 5.004 30 20 IKED CC(C)(NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1[N+](=O)[O-] 432918891 QZHVYRIIUNRWHD-UHFFFAOYSA-N 444.491 5.297 30 20 IKED CN(C(=O)CN[C@@H](CCCC#N)c1ccccc1)[C@@H](c1ccccc1)c1ccc(F)cc1 433013074 WGALKARUUXCQQQ-BDYUSTAISA-N 429.539 5.398 30 20 IKED N#CC(CCSc1nnc(-c2ccncc2)n1C1CC1)(c1ccccc1)c1ccccc1 434643513 QQFOSARIBIHPKF-UHFFFAOYSA-N 437.572 5.667 30 20 IKED CC[C@@H](C#N)Sc1nc2scc(-c3ccc(C)cc3)c2c(=O)n1C[C@@H]1CCCO1 436048833 HIVPKHNUXMTJQY-IRXDYDNUSA-N 425.579 5.007 30 20 IKED CCOc1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C)c1 437259904 ZIOMYZXHHZNSQG-NRFANRHFSA-N 447.922 5.280 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1nc(C(C)(C)C)no1 437970098 ALJSRQSSBSYRCE-MRXNPFEDSA-N 433.512 5.009 30 20 IKED N#Cc1cccnc1OC1CCC(NC(=O)c2sc(C3CC3)nc2-c2ccccc2)CC1 438598089 NDEDFVPCELMUDL-UHFFFAOYSA-N 444.560 5.074 30 20 IKED Cc1ccc(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1C(F)(F)F 439384946 JEZXXXJHDTYBFG-UHFFFAOYSA-N 439.393 5.255 30 20 IKED CCCc1c(NC(=O)N2CCSC[C@H]2c2ccccc2)cnn1-c1cccc(C#N)c1 439701556 KIAXSMPBZZDURP-QHCPKHFHSA-N 431.565 5.018 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 446620476 PINGLRSTTLCLBR-OAQYLSRUSA-N 449.510 5.006 30 20 IKED CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1ccc(Cl)cc1 460691320 FECPMFROJGUXIA-JOCHJYFZSA-N 435.959 5.238 30 20 IKED CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1cccc(Cl)c1 460701813 WUUPQAUGFCRICG-JOCHJYFZSA-N 435.959 5.238 30 20 IKED C[C@@H]1C[C@@H](c2ccccc2F)N(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)C1 461653376 BELAIZOJNUWPHS-ZHRMCQFGSA-N 445.542 5.112 30 20 IKED CC(C)(C)N(Cc1cccc(F)c1)C(=O)CNc1ccccc1Oc1ncccc1C#N 462224712 SYHFQQDYUFPUAE-UHFFFAOYSA-N 432.499 5.124 30 20 IKED N#C[C@@H]1N(C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)CCC[C@@]12CCCCO2 468127264 AKIXMZDWNQJXOG-IGKIAQTJSA-N 445.538 5.360 30 20 IKED C[C@H]1C[C@H]1c1ccc(CN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C2CC2)o1 470558279 DYKPSGSKOZJZEG-HTAPYJJXSA-N 446.551 5.182 30 20 IKED Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)c1ccc(COc2ccccc2C#N)o1 472844691 CHPRYJTYFLUCPO-GOSISDBHSA-N 426.476 5.097 30 20 IKED C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1noc(-c2ccccc2)n1 473821739 YKKUERAOTJQGFD-INIZCTEOSA-N 425.448 5.283 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)n1 474427478 AOWIHXOPZSJZCT-INIZCTEOSA-N 444.482 5.838 30 20 IKED COC[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 474517025 PBDKYTLORCVRBD-DEOSSOPVSA-N 443.547 5.053 30 20 IKED CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 479156822 DLIMGKYTWWTBFJ-UHFFFAOYSA-N 432.351 5.397 30 20 IKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)[C@H](C#N)c3cnc4ccccc4n3)o2)cc1 483215749 RQZUYYLQTVEWCD-OAQYLSRUSA-N 430.467 5.750 30 20 IKED Cc1nc(-c2ccccc2NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cs1 483397203 FXYAYBYWMNKCPL-UHFFFAOYSA-N 436.512 5.205 30 20 IKED COc1ccccc1COc1cccc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c1C 490964248 JMLUVUWSJUDIKR-UHFFFAOYSA-N 441.409 5.120 30 20 IKED N#Cc1ccc(NCC(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 498600200 IBXIJEFNSLJERD-OAQYLSRUSA-N 428.923 5.053 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2F)nnc1-c1ccccc1F 501595052 QUFLMXKHLNLYJW-GFCCVEGCSA-N 434.899 5.182 30 20 IKED N#CC1(C(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)CCCCC1 502549980 FNAQGAKBVQLIIH-UHFFFAOYSA-N 429.442 5.048 30 20 IKED N#Cc1cn(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c2ccc(Cl)cc2c1=O 502833628 NFWBWAGHSXYKIS-UHFFFAOYSA-N 445.853 5.717 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCC(n3cc(Cl)cn3)CC2)cc1Cl 503229366 HVRYSSCNTMZCAN-UHFFFAOYSA-N 441.318 5.331 30 20 IKED Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 503498991 PWZSVSQHBOVABG-FQEVSTJZSA-N 442.563 5.203 30 20 IKED Cc1cc(NC(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)nn1CCC#N 504100663 NOZBAEDCMNSCIW-FQEVSTJZSA-N 428.920 5.370 30 20 IKED CCOC(=O)c1c(CNc2cc(C)n(CCC#N)n2)nc2ccccc2c1-c1ccccc1 504400816 GENMRKNVWGRPIR-UHFFFAOYSA-N 439.519 5.109 30 20 IKED O=C1CCc2cc(F)c(NC(=O)N[C@@H](c3ccccc3C(F)(F)F)C(F)(F)F)cc2N1 506242936 WCJXRNBYIQXMRB-INIZCTEOSA-N 449.326 5.154 30 20 IKED C[C@@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1cccc(NC(=O)c2ccccc2)c1 508080242 MKNLNBJCRVNUNZ-QGZVFWFLSA-N 429.524 5.250 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC[C@@H]2C(=O)Nc3ccccc32)cc1Cl 510022557 FAOIWXFFJVLSCC-LEWJYISDSA-N 444.922 5.243 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCCCC[C@H]3c3ccccc3)s2)cc1 510238569 RXIJLINWKNWTMB-FQEVSTJZSA-N 449.605 5.851 30 20 IKED N#C[C@H](C(=O)c1cccc(-n2nccc2-c2ccccc2)c1)c1nc(-c2ccncc2)cs1 512979986 FUTYTMNHRZYKKN-JOCHJYFZSA-N 447.523 5.548 30 20 IKED N#Cc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(C#N)c(Cl)c3)c2)cc1Cl 514560212 UDWRFJHWWZJGDP-UHFFFAOYSA-N 435.270 5.241 30 20 IKED CCOc1ccc(-n2c(SCc3cc(C#N)ccc3F)nnc2-c2cccnc2)cc1 515175099 TXPFADXRMLWJNQ-UHFFFAOYSA-N 431.496 5.031 30 20 IKED O=C(Nc1nnc(C(F)(F)F)s1)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 515865515 HMHCVIOWBBVNSY-UHFFFAOYSA-N 435.324 5.634 30 20 IKED C[C@@H](Cc1ccc(Br)cc1)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 517529557 GZDGWBLEYJWOGI-GJZGRUSLSA-N 432.387 5.596 30 20 IKED Cc1ccccc1[C@@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)NC(N)=O 518324855 ZFSRLIKKHAKZTD-OAQYLSRUSA-N 448.910 5.051 30 20 IKED Cc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc(C)c1OCc1cccnc1 518743072 KZWAGGGXAUJDGA-LJQANCHMSA-N 431.561 5.924 30 20 IKED N#Cc1ccccc1COc1cccc(CN[C@H](C(=O)Nc2ccccc2)c2ccccc2)c1 518772801 DPQYERDVDJGHIG-NDEPHWFRSA-N 447.538 5.607 30 20 IKED COc1ccc(OC2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)cc1 519988365 OIQXTQOBJIDBLG-UHFFFAOYSA-N 443.503 5.434 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCCCNc1ccc(C(F)(F)F)cn1 520196064 WPCQRGWWDRMXBE-CQSZACIVSA-N 437.491 5.118 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CSc1nc2ccccc2o1 520357564 CDBXEPKKIHVKFW-UHFFFAOYSA-N 431.492 5.473 30 20 IKED CCCOc1c(Cl)cc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1OC 521016127 KBZHISWTPUPSNU-INIZCTEOSA-N 426.822 5.151 30 20 IKED Cc1cccc(Cc2sc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)nc2C)c1 521308816 DVYQIOSOAVUPGP-UHFFFAOYSA-N 446.576 5.016 30 20 IKED COc1ccc(OC)c([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 521366593 PIHNQCBTRQBUTO-DEOSSOPVSA-N 443.503 5.737 30 20 IKED CN(C)[C@@H](CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1c(F)cccc1F 523768348 OJYOTJYDDABBMS-QFIPXVFZSA-N 436.462 5.053 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 524216169 OAKFAETZZRBDLN-LAUBAEHRSA-N 428.001 6.741 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2cc(C#N)ccc2OC(F)F)ccc1OC1CCCC1 524436985 RBPZEGNDPPSVTO-AWEZNQCLSA-N 445.466 5.372 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c(C)nn(Cc2ccccc2)c1C 532058636 ZUXHILMAMUVODD-UHFFFAOYSA-N 436.515 5.773 30 20 IKED CC(=O)N(c1nc(CN(Cc2ccc(C#N)cc2)C(C)C)cs1)c1cccc(C)c1C 533752120 UDILBHIZPYRZCC-UHFFFAOYSA-N 432.593 5.727 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1csc([C@@H]2CCCO2)n1 535210440 KXODLYUZJMVNBG-AWEZNQCLSA-N 427.473 5.271 30 20 IKED CCCN(Cc1ccc(C#N)cc1)Cc1csc(N(C(C)=O)c2ccc(C)cc2C)n1 535981214 ZWQUNCXAEFGYQV-UHFFFAOYSA-N 432.593 5.728 30 20 IKED C=C[C@H](CC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 536183471 FLKGSNCLYUFVGX-MRXNPFEDSA-N 431.363 5.530 30 20 IKED C=C(C)CN1CCC(NC(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)CC1 536518029 BORWUFNLSXYEEL-UHFFFAOYSA-N 440.293 5.097 30 20 IKED C[C@H]1C[C@@H](CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCO1 544247637 HJPRDXLHEUTGNI-IRXDYDNUSA-N 427.932 5.117 30 20 IKED CCC[C@H](NC(=O)c1ccccc1)c1noc(/C=C/c2cn(CCC#N)c3ccccc23)n1 545780975 DFAISRPEHZWQSD-FRFYRWIFSA-N 439.519 5.380 30 20 IKED C=C(C)Cn1c(SCc2nc(Cc3cccc4ccccc34)no2)nnc1-c1ccco1 546316786 VIEYJAYMQLNWOE-UHFFFAOYSA-N 443.532 5.534 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(OCc4ccncc4)cc3)cc2)c1 551683437 JTLNFQIUUSFFQQ-UHFFFAOYSA-N 435.483 5.364 30 20 IKED CCCOc1ccc(Cl)cc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 554407713 TXZMAVQVPZPSIT-UHFFFAOYSA-N 431.895 5.215 30 20 IKED C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(c2ccnn2CC)CC1 555237715 LIXMGYSJJOMUGK-UHFFFAOYSA-N 436.629 5.055 30 20 IKED CC(C)C(=O)Nc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccn1 559053043 DPEPFNZIARQEFU-HXUWFJFHSA-N 432.911 5.237 30 20 IKED CCc1cc(C#N)c(NC(=O)[C@H]2CC[C@H](C(=O)Nc3sc(CC)cc3C#N)CC2)s1 563736824 FIAMJTFBYVAGSR-HDJSIYSDSA-N 440.594 5.061 30 20 IKED C[C@](C#N)(NC(=O)Cc1csc(-c2cc(Br)cs2)n1)C1CCCCC1 571466408 AHJJVQUONFHYOQ-GOSISDBHSA-N 438.416 5.155 30 20 IKED CCO[C@H](c1noc(-c2ccc(C#N)c(Cl)c2)n1)c1ccc(F)cc1C(F)(F)F 574675751 HPWGBBVRWOWJBF-INIZCTEOSA-N 425.769 5.545 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 574781330 SPPGJSPHPFQPOK-UHFFFAOYSA-N 445.539 5.400 30 20 IKED C[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(F)c2ccccc12 589006746 IMQCQSPCFRFRSO-KRWDZBQOSA-N 444.510 5.445 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CC(Cc3cccc(C(F)(F)F)c3)C2)o1 590425168 ZLFUAEOEDVHUIN-UHFFFAOYSA-N 440.421 5.064 30 20 IKED CC(C)Oc1cc(Br)ccc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 592973169 AGNLODOSTJEZKO-AWEZNQCLSA-N 433.302 5.475 30 20 IKED Cc1c(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)sc2nc(C(F)(F)F)ccc12 592973339 DEYFOCHYHLJVRR-LLVKDONJSA-N 435.427 5.862 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1ccc(C(F)(F)F)cn1 592975478 GFVVRRAKUXXNFQ-GFCCVEGCSA-N 425.197 5.083 30 20 IKED CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)Nc1cccc(OCCCC#N)c1 603972317 MGCRAZXTPWIHFR-UHFFFAOYSA-N 436.512 5.248 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N(C)[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)cc1 606940502 GDFGRRLPDZYKFO-GOSISDBHSA-N 448.592 5.568 30 20 IKED Cc1c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cccc1OCC(F)(F)F 609061709 WQWJBFWTORFLHR-UHFFFAOYSA-N 430.382 5.232 30 20 IKED Cc1cc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c(C)n1-c1nccs1 609173888 ZJGSFUJYFQADCI-QHCPKHFHSA-N 442.544 5.124 30 20 IKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)Nc1ccccc1SCCC#N 609375490 FUDMSCNHDIOPPZ-UHFFFAOYSA-N 428.355 5.426 30 20 IKED Cc1cc(C)n(-c2ccc(CCNC(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)n1 609398694 JPGRLVIFORGDKR-QGZVFWFLSA-N 433.581 5.105 30 20 IKED CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2ccccc2SCCC#N)cc1 609402307 HEDLPHQYVYGJSC-NRFANRHFSA-N 435.593 5.292 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCCCOc1ccc(Br)cc1 609407979 HISAHLCHNXCEBY-INIZCTEOSA-N 447.398 5.889 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1CCC(c2ccccc2)CC1 609439388 CEENBOFQJALDOE-LWEYNCJUSA-N 435.593 5.110 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NC1(c2cccc(Br)c2)CC1 610142694 KGODKOOKRGTVNM-CQSZACIVSA-N 430.371 5.512 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCNc2ccc3ccccc3n2)cc1 610340259 KVRWIDZAJDNRJK-UHFFFAOYSA-N 438.556 5.241 30 20 IKED COc1ccccc1-c1ccc(CN(C(=O)N[C@H](C)c2cccc(C#N)c2)C(C)C)cc1 610406428 AEDDFLKCVOOJEH-HXUWFJFHSA-N 427.548 5.915 30 20 IKED COc1ccc2ccccc2c1CN(C(=O)N[C@@H](C)c1cccc(C#N)c1)C1CCCC1 610408481 ZEBIWJUQPXTSHI-IBGZPJMESA-N 427.548 5.935 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC(OCc3ccc(F)cc3)CC2)cc1 611362900 QARNUUMMOIZUBB-UHFFFAOYSA-N 443.522 5.255 30 20 IKED Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)[C@@H](C#N)c3ccccn3)c12 612892341 VECNFVVKWFOUIZ-IBGZPJMESA-N 435.512 5.343 30 20 IKED CC(C)[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccnn1C 615974315 GTTJFVRYUSTNBP-SFTDATJTSA-N 435.959 5.290 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C)c2C)nnc1-c1ccc(Cl)cc1 617893750 HFBLQTQTARGPFY-INIZCTEOSA-N 426.973 5.521 30 20 IKED FC(F)(F)c1cccc(-c2noc(CN3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)n2)c1 618451603 OMOYSBJHIKDAFH-TXEJJXNPSA-N 447.301 5.318 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(CC)cc2)nnc1-c1ccc(F)cc1 619097370 NONCVZWLSGSQOV-IRXDYDNUSA-N 438.572 5.191 30 20 IKED C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(SCc2cccnc2)cc1 639942597 UVHPVDWPPIDNTH-UHFFFAOYSA-N 442.544 5.377 30 20 IKED CC(C)c1noc2ncc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc12 642282142 OFJMAGMFOIOVOC-ZDUSSCGKSA-N 430.411 5.465 30 20 IKED O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 674028796 LFWIYFDDSYIFDW-KIJLLGNVSA-N 442.366 5.564 30 20 IKED COc1ccc(OCc2ccccn2)c(C=NNc2ccc(C#N)c(C(F)(F)F)c2)c1 726426050 ORZBYSITSFMOMY-UHFFFAOYSA-N 426.398 5.006 30 20 IKED N#CCOc1ccc(/C=C2\SC(=S)N(CCc3ccc(Cl)cc3Cl)C2=O)cc1 726627323 QAHKEYLVKYCLAQ-WQRHYEAKSA-N 449.384 5.340 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 731400040 KOCJMJJBVBBRNG-KRWDZBQOSA-N 446.617 5.192 30 20 IKED Cn1nc(-c2ccccc2)c(C=NNc2nc(C(F)(F)F)nc3ccccc23)c1Cl 734746521 ZEPNBWORTPSSQD-UHFFFAOYSA-N 430.821 5.149 30 20 IKED C=CCn1c(SCc2cc(Cl)ccc2OCC#N)nc2cc(Cl)ccc2c1=O 735231374 UINHNLYBKIVZAZ-UHFFFAOYSA-N 432.332 5.084 30 20 IKED COC(=O)[C@@H](Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)c1ccc(C#N)cc1 739988872 FRFBZQYLQCIDJV-IBGZPJMESA-N 428.275 5.379 30 20 IKED C[C@](O)(CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccs1 740437575 RWSFCFLRFVQAFH-AVRDEDQJSA-N 425.941 5.086 30 20 IKED CC(C)c1ccc(-c2nc(CC(=O)OCc3nnc(-c4ccc(C#N)cc4)o3)cs2)cc1 741825501 LLILDABBGMQVQZ-UHFFFAOYSA-N 444.516 5.141 30 20 IKED CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 743094923 FOXDGNQHDZHSGL-CLJLJLNGSA-N 429.539 6.212 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3sc4ccc(OC)cc4c3C)n2)cc1 744063020 WRCQURFUFLXNNS-GOSISDBHSA-N 434.542 5.841 30 20 IKED Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1c(C)noc1C 745867698 HDBRUZPHADIARL-IBGZPJMESA-N 436.493 5.126 30 20 IKED C=C(C)COc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)ccc1OC 747039676 DAYGTRLTFVKSSI-UDWIEESQSA-N 427.547 5.065 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(Cl)cc(Br)c1 747204829 NIFOSOIRZGVZQF-KRWDZBQOSA-N 433.733 5.188 30 20 IKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(=O)oc2ccccc12 750266529 FTBIHCXQTKCRNO-FQEVSTJZSA-N 428.875 5.663 30 20 IKED Cc1cccc(-c2n[nH]cc2C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1 755530862 BPNXRJGDLFSWGG-UHFFFAOYSA-N 425.517 5.014 30 20 IKED CCSc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1 755607438 ZPJHKCHENWMGJK-MDWZMJQESA-N 442.993 6.489 30 20 IKED CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cnn(CCC#N)c1-c1ccccc1 757984624 HDKSEYXTJHBJGY-UHFFFAOYSA-N 426.442 5.145 30 20 IKED C#CCOc1ccccc1-c1noc(-c2ccc(C)c(NC(=O)c3ccccc3F)c2)n1 761996851 SICJZPJEKHCKET-UHFFFAOYSA-N 427.435 5.115 30 20 IKED C=CCn1c(-c2cccs2)nn(CN(C)[C@@H]2CCCc3nc(CC)sc32)c1=S 765075269 DQHFQHCFXYRQIJ-OAHLLOKOSA-N 431.656 5.314 30 20 IKED COc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2cccc(Br)n2)CC3)cc1 777916702 PNAQCTSHKZWWEJ-QBFSEMIESA-N 427.323 5.189 30 20 IKED CC1(C#N)CCN(Cn2nc(Nc3ccc(Oc4ccccc4)cc3)sc2=S)CC1 779877235 HQJIYSTZUQAFPT-UHFFFAOYSA-N 437.594 5.793 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnc3ncc(Br)cc3c2)cc1 780347244 ZJRBBLXLJIURGG-OAQYLSRUSA-N 443.304 5.300 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 780502198 XOUYOOCQNPSKDF-OXJNMPFZSA-N 430.895 5.930 30 20 IKED CCc1ccccc1N(C(C)=O)c1nc(COC(=O)C2(c3ccc(C#N)cc3)CC2)cs1 781394155 DVCXVELZWCHROM-UHFFFAOYSA-N 445.544 5.037 30 20 IKED CC1(NC(=O)OC(C)(C)C)CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 781767458 NYLYJOZPZIYUOS-UHFFFAOYSA-N 449.551 5.064 30 20 IKED CC[C@@H](C)Oc1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 783463401 FCNVFNKLSGZTOA-KOSHJBKYSA-N 427.504 5.097 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1nc(Br)ccc1C 786625783 ZIDCPWJYHBFDDF-UHFFFAOYSA-N 436.309 5.164 30 20 IKED Cc1cc(C#N)ccc1COC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 786966390 RDCVCPJSUMRURG-UHFFFAOYSA-N 430.291 5.290 30 20 IKED CN(C)C(=O)c1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1 792924275 LQDYLXOCOTUPMN-CCEZHUSRSA-N 427.529 5.199 30 20 IKED CC[C@H](C#N)Oc1cccc(CNCc2ccc(Br)cc2C(F)(F)F)c1 792983452 ARSAVOAGTPZIGY-MRXNPFEDSA-N 427.264 5.439 30 20 IKED Cn1cc2c(n1)CCC[C@H]2C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 798816408 KHQYJMKKIMSDKJ-TZMCWYRMSA-N 431.348 5.147 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(N3CCc4ccccc43)CC2)cc1 800518557 BUXBFFPWOZLJRL-SANMLTNESA-N 436.559 5.401 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(Br)ncc2Cl)cc1 806563659 WMYFQRQHGKZPCL-UHFFFAOYSA-N 428.673 5.414 30 20 IKED Cc1cc(C)n(-c2ccc(-c3noc(-c4cccc(Nc5ccc(C#N)cc5)c4)n3)cn2)n1 904522313 RLACGPHNFMCPBA-UHFFFAOYSA-N 433.475 5.216 30 20 IKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccco2)cc1 916214169 LMIBTHAJYUXWEC-NRFANRHFSA-N 433.533 5.003 30 20 IKED N#C[C@H](C(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1ccc2ccccc2n1 916848569 DOCWPFRFHBCRJE-NRFANRHFSA-N 432.483 5.040 30 20 IKED Cc1ccc(CCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1Cl 916908040 KRSYHGVQZOIMNK-FQEVSTJZSA-N 432.907 5.721 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C 916910500 XQAWPPNEKJTRPW-DEOSSOPVSA-N 443.547 5.189 30 20 IKED C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916932488 WOAPDRNBZTUXQK-SKDRFNHKSA-N 446.117 5.415 30 20 IKED COc1ccc2cc(/C=C/C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2c1 916945484 WCKNSKMMZBJEFA-ZGHBNVOCSA-N 439.298 5.516 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnn(-c3cccc(Cl)c3)c2C)cc1 916951152 XIKUWEGBQFMQIM-QVKFZJNVSA-N 434.927 5.309 30 20 IKED COc1ccc2oc(C)c(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2c1 917044371 SNTFFKFXFFDSDV-AWEZNQCLSA-N 430.407 5.868 30 20 IKED COc1cccc([C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 920111425 VWVJYRALJCRGNI-SJCJKPOMSA-N 431.344 6.105 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc2n(C(C)C)c3ccccc3n12 921249789 GLFZHLZFACRBKI-UHFFFAOYSA-N 437.594 5.274 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Cc3ccncc3)CCC2)cc1 1789458239 RGKSETMQEGHCRA-YKSBVNFPSA-N 431.580 5.163 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnc(Cl)c(Cl)c3)cc2)CCC1 1789739822 QDYWRYBDCZSYHT-AWEZNQCLSA-N 432.351 5.348 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)o4)CCC3)cc2)cc1 1790707654 OCBMWOGFWJCZEA-UHFFFAOYSA-N 433.895 5.061 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@@H]4c4ccccc4)cc3)CCC2)cc1 1791535062 XLQJVELZEQNOJC-CLJLJLNGSA-N 449.554 5.304 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCn3nc(C)cc3C)cc2)CCC1 1791783294 TZVAIOALEKWESG-UHFFFAOYSA-N 436.600 5.017 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ncccc3SCC)CC2)C1 1804865178 FGMFMLPBGVFUTH-UHFFFAOYSA-N 443.657 5.031 30 20 IKED Cc1scc(C(=O)N2CCCC3(CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)C2)c1C 1808792069 BUBANOOPJAQDSH-SFHVURJKSA-N 449.620 5.151 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2C2CC2)[C@@H]1c1cccnc1 1813757273 FGCZQVXPWGRRIW-DHLKQENFSA-N 445.607 5.271 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3sccc3[nH]2)[nH]n1 1814829223 PBJVOFUOZRZQIG-IBGZPJMESA-N 437.569 5.027 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2)[nH]n1 1819307251 DMXNEVOGLGSMSB-ICSRJNTNSA-N 426.948 5.137 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](CC)CC2)[nH]n1 1819310061 OUODALGQHHKVPS-BPBCIEFSSA-N 426.605 5.387 30 20 IKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)C1 1823700462 OHSAYOPENQRPNL-HBRDYDSTSA-N 432.564 5.032 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cccc(F)c2F)CC1 1823753745 ZKDZRGRLYJERQP-QFIPXVFZSA-N 446.582 5.119 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C)c2F)CC1 1824137935 SIQIPDNKHPOJFA-QHCPKHFHSA-N 426.576 5.136 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C3CCCC3)CC2)c1 1832634818 ZYTTZUIVHWMNMT-WQPADMOLSA-N 447.623 5.293 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)/C(=C\c1ccc(F)cc1)c1cccs1 3229728 REVRWHNMZGTVKW-ZDLGFXPLSA-N 440.883 5.135 30 20 IKED COc1cccc(-n2ccnc2SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)c1 10271254 JYVBRGUSLIMUGR-UHFFFAOYSA-N 449.580 5.017 30 20 IKED CCOc1cc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc(OCC)c1OCC 14497475 KISHLJFEBPSCPH-UHFFFAOYSA-N 437.521 5.130 30 20 IKED COCCOc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)cc1 59270496 DJZCGTZOWMFHBX-NTEUORMPSA-N 435.907 5.514 30 20 IKED C=CCN(C(=O)c1ccc(C(C)C)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 60641464 SGRMAXJDAOPVRK-UHFFFAOYSA-N 440.590 5.170 30 20 IKED CSc1nc(O)c(C(=O)Nc2ccc(N[C@@H](C)c3ccccc3)c(Cl)c2)cc1C#N 64658291 DZIIUDADNFXNGN-ZDUSSCGKSA-N 438.940 5.460 30 20 IKED N#Cc1cc(S(=O)(=O)Nc2ccc(SCc3cccnc3)cc2)ccc1C(F)(F)F 410334764 HWCBUXQBTFWBTE-UHFFFAOYSA-N 449.479 5.065 30 20 IKED COc1cc(Cl)c(Br)cc1C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 429902277 VRQWAOVWJCRGFF-MAUKXSAKSA-N 433.733 5.023 30 20 IKED N#CCCC[C@H](NC(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccccc1 432847885 WLUDSAGQIGHUND-KRWDZBQOSA-N 429.402 5.312 30 20 IKED N#C[C@H](C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1nc(-c2ccncc2)cs1 434624316 GOXLFXRLWWKGLZ-MRXNPFEDSA-N 434.427 5.161 30 20 IKED C=CCc1cc(/C=C2\CCn3c2nc2scc(-c4ccccc4)c2c3=O)cc(OC)c1O 436938759 KKACQKRSGRROEC-CPNJWEJPSA-N 442.540 5.512 30 20 IKED CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)s1 437760614 QPSZQXWDHXKCEL-SFHVURJKSA-N 448.592 5.884 30 20 IKED CCn1c([C@H]2CCCN2CC(=O)Nc2ccccc2S[C@@H](C)CC#N)nc2ccccc21 437771503 FQPWMNWIPQSLRL-PGRDOPGGSA-N 447.608 5.226 30 20 IKED C[C@H]1CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC[C@H]1c1ccccc1 437883013 TWCKRMFXCHLIOI-UQBPGWFLSA-N 438.531 5.468 30 20 IKED Cc1c(CSC(C)C)cccc1NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 438446810 MZLFYVFAGOONKI-UHFFFAOYSA-N 426.561 5.002 30 20 IKED CC(C)c1cnc(-c2ccc(NC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4F)C3)cc2)o1 438501439 MJNKEMYWDOAKBJ-FQEVSTJZSA-N 447.514 5.266 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ncoc3-c3ccc4c(c3)OCCO4)n2)cc1 442689456 SJSZBHFWYHOAHW-KRWDZBQOSA-N 443.484 5.035 30 20 IKED CC(C)c1oc([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2C#N)nc1-c1ccccc1 442836189 HOAHXCRNHQHMON-LJQANCHMSA-N 439.512 5.002 30 20 IKED C[C@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)c1ccc(-c2cccc(C#N)c2)cc1 445155560 CMIKJAVXYYWKQT-SFHVURJKSA-N 443.506 5.711 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2cc(C3CC3)nc3ccccc23)c1C#N 445568532 LMYSBHJACFHCQA-UHFFFAOYSA-N 425.517 5.144 30 20 IKED CCCOc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 446749707 BTHWXHKYEVGKJB-UHFFFAOYSA-N 449.894 5.370 30 20 IKED Cc1cc(CN(C)C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1F 447305899 QHFSUBPIPZQYAO-OAQYLSRUSA-N 449.913 5.040 30 20 IKED COc1ccccc1-c1noc([C@H](C)NCc2cccc(OCc3ccccc3C#N)c2)n1 462745410 KZZZSFWLFXCCIM-SFHVURJKSA-N 440.503 5.047 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(-c3cscn3)c2)cc1Cl 463390503 IIBIJNROODTTSP-NRFANRHFSA-N 429.932 6.371 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 464981328 HVGOUMAPFCNMIZ-UHFFFAOYSA-N 437.499 5.214 30 20 IKED N#Cc1ccc(F)c(CNC(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)c1 465718367 GPKIWZFOERZNQM-NRFANRHFSA-N 438.300 5.049 30 20 IKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NC2CCC3(CCCCC3)CC2)CC1 470098831 YBOQJAJRSNBYQY-UHFFFAOYSA-N 436.556 5.032 30 20 IKED C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1NC(=O)Nc1ccccc1SC[C@H](C)C#N 473820326 JECQKZWVCRRQLL-FDGPYGQJSA-N 436.625 5.216 30 20 IKED COC[C@H](Cc1ccccc1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 474497979 SXHYTFGLRINIHZ-VWLOTQADSA-N 443.547 5.053 30 20 IKED CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(C(C)(C)C#N)cc1 474867624 HYUQAZJZYXYRAE-UHFFFAOYSA-N 432.351 5.285 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cn1c(C)nc2cc(F)c(F)cc21 475186905 VHMGSPAGOVCTAK-UHFFFAOYSA-N 432.430 5.234 30 20 IKED COc1ccc(-c2nc3c(s2)[C@H](NC(=O)C[C@@H](CC#N)c2ccccc2)CCC3)cc1 475788346 BRLYAPZHRRZQHK-TZIWHRDSSA-N 431.561 5.400 30 20 IKED C[C@H](NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1c(F)cncc1F 481328321 BRTAFVBNRQWSAJ-RTHLEPHNSA-N 427.295 5.042 30 20 IKED N#Cc1ccc(-c2nnc(CSc3nnc(-c4ccncc4)n3C3CCCCC3)o2)cc1 481375994 UEKIIPZUFTVFSD-UHFFFAOYSA-N 443.536 5.059 30 20 IKED COc1ccc(CCCN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 481742187 NGFDRDWIHKJJCS-UHFFFAOYSA-N 447.510 5.381 30 20 IKED Cc1nc2ccc(Br)cn2c1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 483495305 YEGVHVFHGBQQSD-LBPRGKRZSA-N 445.729 5.158 30 20 IKED CCCCn1ncc(NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1C(C)C 484341700 QUKYLRZQQWORDG-UHFFFAOYSA-N 425.924 5.161 30 20 IKED COc1ccc(CCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1Cl 488022290 GBLUMXSWFAMGAG-UHFFFAOYSA-N 436.914 5.521 30 20 IKED C=CCn1c(SCC(=O)c2ccc(Oc3ccccc3)cc2)nnc1-c1ccccn1 488905212 WAYDYABNUNCUMG-UHFFFAOYSA-N 428.517 5.293 30 20 IKED C=CCn1c(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)nnc1-c1ccccn1 488935174 ROBKOZIHUDGVIL-UHFFFAOYSA-N 449.605 5.029 30 20 IKED N#Cc1cc(NC(=O)[C@@H](OC2CCOCC2)c2ccccc2)ccc1Oc1ccccc1 490591286 HBALUQIGQLZQLA-VWLOTQADSA-N 428.488 5.226 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C 494636115 WFRHWAUTPPAJMP-MRXNPFEDSA-N 443.544 5.192 30 20 IKED C=CCn1c(SCC(=O)N(C)c2ccc(SC)cc2)nnc1-c1ccc(Cl)cc1 496246429 PVSNXSYFBBDQPH-UHFFFAOYSA-N 445.013 5.262 30 20 IKED Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)Sc4ccc(C#N)cn4)cc3)sc2c1 498150903 JFGGDTHBFQNWPC-OAHLLOKOSA-N 430.558 5.658 30 20 IKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(SC3CCCC3)cc2)cc1 498351977 DPKAVLBAJILRBP-UHFFFAOYSA-N 428.579 5.051 30 20 IKED C=C[C@H](CC(=O)NC1(Cc2ccc(F)cc2Br)CCOCC1)c1ccccc1 498539324 IXAMIQYGVFAYHK-QGZVFWFLSA-N 446.360 5.156 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 499705171 BFAKGYRMWPYLFQ-GOSISDBHSA-N 428.552 5.241 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(Br)cc3F)c2)cc1 501434413 JIEWMUKYZDSIGB-UHFFFAOYSA-N 439.284 5.486 30 20 IKED CN(C)[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccsc1 501521237 GFZMLJXDFXUSSR-RBBKRZOGSA-N 438.984 5.481 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3[C@H]4C=C(c5ccccc5)C[C@H]3CC4)ccc21 504867787 BIHNPRIKVLSLQT-DNQXCXABSA-N 440.547 5.122 30 20 IKED N#Cc1ccc(N2CCC(C(=O)Nc3ccccc3COCc3ccccc3)CC2)c(F)c1 506367686 FLMGTKGTSHGXRX-UHFFFAOYSA-N 443.522 5.269 30 20 IKED C=CCN(C(=O)c1ccccc1OCC1CC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 508906793 OLPXPSVHUKPJQY-UHFFFAOYSA-N 435.505 5.340 30 20 IKED CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 509228406 VBWGXUNSMHVWCG-UHFFFAOYSA-N 430.464 5.701 30 20 IKED CCN(C(=O)CC1(CC(=O)N(CC)c2ccc(C#N)cc2)CCCC1)c1ccc(C#N)cc1 510406266 BVGHCQXVZXVHFZ-UHFFFAOYSA-N 442.563 5.177 30 20 IKED CCOc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c([N+](=O)[O-])cc1OC 511545911 OBCJEQXHQNXYII-UHFFFAOYSA-N 447.447 5.227 30 20 IKED O=C(Nc1ccc(OC(F)F)c(F)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 516532038 POEBNSUILZIDPZ-UHFFFAOYSA-N 433.283 5.023 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2C2CCCC2)cc1Cl 517325480 QLTMWVNFKFUOAZ-FYYLOGMGSA-N 435.955 5.115 30 20 IKED N#C[C@H](NC(=O)c1ccc2nc(C(F)F)[nH]c2c1)c1ccc(OCc2ccccc2)cc1 518920284 PGLJVUVTONNCGX-NRFANRHFSA-N 432.430 5.074 30 20 IKED C=CCc1ccc(OCC(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)c(OC)c1 519385446 IFTCSIFYZHDIBN-UHFFFAOYSA-N 438.911 5.069 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 520923212 FFSXNFJTDJOYGM-MRXNPFEDSA-N 447.560 5.262 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(c1ccccc1)c1ccccc1 521087214 SXPGKXYGPLGQCK-HXUWFJFHSA-N 433.511 5.696 30 20 IKED CCn1c([C@H]2CCCN2C(=O)Nc2cccc(C#Cc3ccccn3)c2)nc2ccccc21 522071254 GDJHUWKRKMLOOL-RUZDIDTESA-N 435.531 5.220 30 20 IKED CN1CCC(Nc2ccccc2NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 523152010 LUDCZSVPLDQPQG-UHFFFAOYSA-N 425.536 5.060 30 20 IKED CC(C)CCOC1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 523944913 OOIZZDHOBVIJKZ-UHFFFAOYSA-N 426.944 5.671 30 20 IKED Cn1c(-c2cccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)c2)nc2ccccc21 525236014 VXSCCHXMNWRGDZ-UHFFFAOYSA-N 448.482 5.536 30 20 IKED N#CCC[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 533038609 BBJBQFULWVLOCT-RUZDIDTESA-N 437.503 5.582 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCSC[C@H]1c1ccc(Cl)cc1 533300932 WWQYPLOHYLKYPF-UZLBHIALSA-N 446.041 5.463 30 20 IKED COc1ccc(CN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H]2CCCC[C@@H]2C)cc1OC 537855110 QHBGSPYETGTEHC-AVRDEDQJSA-N 446.551 5.206 30 20 IKED C[C@@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 537927211 YJDWNGJXXHQGCR-NRFANRHFSA-N 443.547 5.137 30 20 IKED CCOc1cccc([C@H]2C[C@H]2NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 540528831 APZBYODNRDVISH-DNQXCXABSA-N 428.557 5.535 30 20 IKED COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2Cc2nnc(-c3cccc(C#N)c3)o2)c1 541330556 OXKPTZQWEPAWME-AZGAKELHSA-N 436.515 5.348 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccnc3C3CC3)s2)c(C(F)(F)F)c1 543153134 BMSFHHVFCLDWKK-UHFFFAOYSA-N 428.439 5.149 30 20 IKED COCCOc1c(Cl)cc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1Cl 544253419 BAYBDVDPFIZBHN-UHFFFAOYSA-N 434.323 5.087 30 20 IKED C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 544584012 OXUVFIYZUGZQFF-HXOBKFHXSA-N 446.938 5.801 30 20 IKED C[C@@H]1C[C@H](c2cccnc2)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 544584014 OXUVFIYZUGZQFF-UZUQRXQVSA-N 446.938 5.801 30 20 IKED COc1ccc(COCc2noc(-c3ccc(Oc4cccc(F)c4C#N)cc3)n2)cc1 546387390 ZOKIPAGLXMTAOR-UHFFFAOYSA-N 431.423 5.265 30 20 IKED CCOCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(CC#N)CC1 549795851 PASBAZFTRWFLPV-UHFFFAOYSA-N 444.004 5.370 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(Cc4ccc(F)cc4)s3)n2)cc1 550643161 VVPIYAMPEHQQJB-GOSISDBHSA-N 433.533 5.795 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccccc3Cc3ccccc3)CC2)c(F)c1 554050735 FIJSPUSUJLYWFJ-UHFFFAOYSA-N 429.495 5.363 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1 554389639 SHNDQVNKEWOCFL-JOCHJYFZSA-N 431.458 5.030 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[C@H](C2CCOCC2)C1 555268838 PFJCNSQSIKCFGG-YKSBVNFPSA-N 446.595 5.400 30 20 IKED CC(C)CCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2Cc2cccs2)cc1 555438040 CKCGNKDCEHXKRN-UHFFFAOYSA-N 435.597 5.220 30 20 IKED C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 561403697 UOZYOGWTCMSPMM-GXFFZTMASA-N 438.347 5.225 30 20 IKED COc1ccc(-c2nnc(SCc3ccc(C#N)cn3)n2-c2ccc(Cl)cc2)cc1 565517326 IQLANCRZLDNIDO-UHFFFAOYSA-N 433.924 5.155 30 20 IKED COc1cc(CNc2ccc(Oc3ccnc(C#N)c3)cc2)ccc1OCc1ccncc1 565803898 UOFPQQJZRMUDDT-UHFFFAOYSA-N 438.487 5.340 30 20 IKED CCN(Cc1ccccc1Br)C(=O)Nc1ccccc1SC[C@@H](C)C#N 567367610 PATBXBVLDLKUAU-HNNXBMFYSA-N 432.387 5.755 30 20 IKED COC1(c2noc([C@@H]3CCN(c4ccc(C#N)cc4F)C3)n2)CCC(c2ccccc2)CC1 573525327 RWZRWVPAEVVJMQ-QLSBTUPBSA-N 446.526 5.274 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NCc3csc(-c4ccccc4)n3)cc2)ccn1 574922400 QVZHKUUVDGCIIL-UHFFFAOYSA-N 427.489 5.191 30 20 IKED C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 588956428 CYRBYYPULQYAMU-GDBMZVCRSA-N 427.898 5.008 30 20 IKED N#C[C@H](NC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccc(OCc2ccccc2)cc1 591192874 RLKCJTCKBJNBBD-SANMLTNESA-N 438.527 5.098 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2nc3ccccc3s2)s1)c1nc2cc(F)ccc2s1 592975703 KWHLGYKXFJNQKI-GFCCVEGCSA-N 435.530 6.264 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc(-c2cccc3ccccc23)cs1 603464302 YFFIXCHHOAZEQE-UHFFFAOYSA-N 429.549 5.262 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cc1nc(-c2cccs2)oc1C 603532966 IQARISVKSIGJGZ-UHFFFAOYSA-N 445.519 5.807 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(I)cc1Cl 603655779 SRTQIDVBUYIERB-UHFFFAOYSA-N 432.714 5.226 30 20 IKED CC(C)(C)n1nc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1C1CC1 603962238 OBBMOICOWYOFOU-FQEVSTJZSA-N 432.955 6.077 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 604504419 WPBBQFHGQIXUKS-XMMPIXPASA-N 433.939 5.159 30 20 IKED COc1ccccc1-c1nn(C)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 607274706 NXQBRCJYBPFOKD-QGZVFWFLSA-N 448.935 5.363 30 20 IKED Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 608870680 OCHNVLAOSRAKEE-UHFFFAOYSA-N 449.919 6.210 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N(Cc3cccnc3)c3ccc(F)cc3)o2)cc1 609058032 DVZXEFWDNFUKCN-UHFFFAOYSA-N 427.435 5.111 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CCCc4nc(O)ccc43)cc2Cl)c1 609079805 JJACAPSGMZVWAU-OAQYLSRUSA-N 448.910 5.090 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccccc3SCc3cscn3)c2)cc1 609176184 ANEXQIZHAVJVQY-UHFFFAOYSA-N 443.553 6.352 30 20 IKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccccc1[N+](=O)[O-] 609387108 MECRUYUMGJFMCS-GFCCVEGCSA-N 438.431 5.058 30 20 IKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c12 609428494 QIPDCDXKSDFLSJ-AWEZNQCLSA-N 447.589 5.652 30 20 IKED N#Cc1ccccc1COc1cccc(CNCC2(c3ccc(F)cc3)CCOCC2)c1 609433272 QURZORHDKGKYMU-UHFFFAOYSA-N 430.523 5.114 30 20 IKED CCCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)[C@H](c1cccnc1)c1ccc(F)cc1F 609491508 SBVBJZPDWBATBV-MZNJEOGPSA-N 435.474 5.027 30 20 IKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 609497591 MFXOXARQRAKSTD-KRWDZBQOSA-N 427.529 5.988 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3cccc(-c4n[nH]c(C5CC5)n4)c3)c2)cc1 609643703 DQAOHBLDUDAXHD-UHFFFAOYSA-N 435.487 5.052 30 20 IKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 609660968 XZMXGDRBOGITQZ-AHKZPQOWSA-N 440.543 5.377 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)c1 609714574 JRQGZFWGGLNNPB-JGCGQSQUSA-N 447.560 5.462 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(OCC4CCOCC4)cc3)c2)cc1 609991480 JQAXGSLKYFLBQD-UHFFFAOYSA-N 427.504 5.360 30 20 IKED C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 610016581 JUIUKHIYDCGUDT-SFHVURJKSA-N 429.495 5.622 30 20 IKED Cn1ccnc1C[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1ccccc1 610493780 YAUQHJWJQIJGII-HSZRJFAPSA-N 438.556 5.157 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC([C@H]4CCOC4)CC3)cc2Cl)cc1 612302620 LEOWWGZYXHBRTG-SFHVURJKSA-N 425.916 5.284 30 20 IKED N#C[C@@H](C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1ccc2ccccc2n1 613292815 YECBITKOSHGTKW-GOSISDBHSA-N 439.475 5.173 30 20 IKED CC(C)(C)n1nc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1C1CC1 613403990 IKWVSZWIUMMFLA-ZDUSSCGKSA-N 432.471 5.634 30 20 IKED Cc1c(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)sc2ccc(F)cc12 618643239 LPLJJRHFDRRYKW-NXEZZACHSA-N 427.385 5.988 30 20 IKED N#CCN1CCC(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)c(Cl)c2)CC1 619435494 VLYFDQQTSRVLPW-UHFFFAOYSA-N 438.742 5.157 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2cccc3ncccc23)C(C)C)nnc1-c1ccoc1C 639394158 DFLGOWDHINZIBR-OAQYLSRUSA-N 447.564 5.336 30 20 IKED CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 672847557 KPMYEMZJGGXCLD-UHFFFAOYSA-N 425.444 5.184 30 20 IKED C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H]1c1nc2ccccc2s1 685551504 LJNLCBZAWGLPDE-FQEVSTJZSA-N 447.564 5.003 30 20 IKED N#C[C@H](C(=O)[C@@H](OC1CCCC1)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 727039417 XFNNFGAHNIVOMV-OFNKIYASSA-N 436.964 6.340 30 20 IKED N#Cc1cccc(COc2ccc(NC(=S)NCCc3cccs3)cc2Cl)c1 727978748 MGVJNSDURGDZLS-UHFFFAOYSA-N 427.982 5.381 30 20 IKED COc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1C 728062330 IYNLKVNUTCZBNB-KRWDZBQOSA-N 449.938 5.547 30 20 IKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3sc(N4CCCC4)nc3Cl)c2C#N)C1 728163726 ZYPXBJXZLVIPDL-LBPRGKRZSA-N 449.045 5.733 30 20 IKED Cc1cc(C(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)c(C)n1-c1ccc(C#N)cc1 728272756 GLZYOTDWGIVWQT-UHFFFAOYSA-N 433.418 5.206 30 20 IKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1CCCCC#N 728780313 QFCDBLBPRTUBES-QFIPXVFZSA-N 448.592 5.212 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(c2ccccc2Cl)C(=S)N[C@H]1c1cscn1 731430144 IJHBSJYYHYGVOU-IBGZPJMESA-N 443.956 5.372 30 20 IKED COc1cc(C(=O)/C=C\c2ncc(-c3cccc(Br)c3)[nH]2)ccc1OC(F)F 731936753 CDFYLFADMBBTAZ-VURMDHGXSA-N 449.251 5.345 30 20 IKED C[C@H](OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nnc(-c2ccccc2)o1 732377419 LRQLOPJBXPUFKT-KRWDZBQOSA-N 425.444 5.513 30 20 IKED C[C@@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nc2ccc(Cl)cc2[nH]1 734323817 XVUPNRIXLCCYGO-OAHLLOKOSA-N 430.895 5.158 30 20 IKED CC(C)n1c(C(F)(F)F)nc2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)ccc21 734705531 LHDBUMNQZGYVCH-CYBMUJFWSA-N 448.832 5.251 30 20 IKED N#C[C@@H](C(=O)Cc1csc(-c2ccoc2)n1)C(=O)Nc1ccccc1Oc1ccccc1 739156497 YJDIADRMAOAQKF-IBGZPJMESA-N 443.484 5.085 30 20 IKED C[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccc(OC(F)F)cc1 740026463 XYJOGNBKDNUJCO-AWEZNQCLSA-N 427.476 5.449 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccc(OCC4CCOCC4)cc3)c2)s1 740454282 BMZIKKLOYBTJQP-UHFFFAOYSA-N 447.560 5.414 30 20 IKED N#C[C@@H](C(=O)Cc1c[nH]c2ccc(Cl)cc12)c1nc(-c2ccc(Cl)cc2)cs1 740536407 SKIITXWHSJMVOW-KRWDZBQOSA-N 426.328 6.017 30 20 IKED COc1ccc(-c2nc(S[C@@H](C)c3ccc4cc(OC)ccc4c3)nc(O)c2C#N)cc1 743453627 GXYQEFYNRZVGGO-HNNXBMFYSA-N 443.528 5.745 30 20 IKED N#CCOc1ccc(COC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)cc1 745114515 JIHWFKHTXJZALQ-UHFFFAOYSA-N 429.259 5.440 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN(Cc2ccc3ccccc3c2)C2CC2)c1=S 746708660 ZMQUHJRUFFWTJP-UHFFFAOYSA-N 427.577 5.437 30 20 IKED N#C[C@@H](C(=O)CSCc1cc(-c2cccs2)on1)c1nc(-c2ccccc2)cs1 747111397 HYTIYJPGAOUQNS-INIZCTEOSA-N 437.571 5.636 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2c[nH]c3cc(F)ccc23)cs1 749453439 RSRFQMIVKDALQO-WEVVVXLNSA-N 439.899 5.998 30 20 IKED O=C(/C=C/c1ccc(-c2ccncc2)cc1F)c1ccc(S(=O)(=O)C2CCCC2)cc1 751533197 BMTMEQBOMTVEPH-FMIVXFBMSA-N 435.520 5.500 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 755752690 ZTIYWUIFQFHPJX-HEHGZKQESA-N 433.961 5.189 30 20 IKED Cc1cccc([C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2ccccn2)c1 766265521 WJEPNXWUQLZGAH-VPUSJEBWSA-N 432.527 5.957 30 20 IKED Cc1cc(NC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)nn1CCC#N 768045182 DLVCIGOGRDNSSS-UHFFFAOYSA-N 434.499 5.604 30 20 IKED COc1cccc([C@H](C#N)NC(=O)[C@@H](Sc2ccccc2F)c2ccccc2)c1OC 768157802 UMGQNUVZHQMLAO-CVDCTZTESA-N 436.508 5.057 30 20 IKED Cc1cc(CSc2ccccc2C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)on1 768175916 XQGRCFWQYUZCFG-GOSISDBHSA-N 431.439 5.289 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 772436068 SEBXZDMLKYAEMP-SJLPKXTDSA-N 444.601 5.087 30 20 IKED N#C[C@H](C(=O)CCCCC(=O)c1ccc(F)cc1)c1nc(-c2c(F)cccc2F)cs1 778619035 DXOLUQJFTOBVTQ-MRXNPFEDSA-N 442.462 5.847 30 20 IKED C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(-c2ccco2)nn(CN2CCC(C)(C#N)CC2)c1=S 779880271 ZEJNXDXYKMVDES-XWSJACJDSA-N 425.602 5.254 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1 780178345 SCMDSYCDJSFZKM-KRWDZBQOSA-N 426.451 5.222 30 20 IKED O=C(/C=C\c1nc(-c2cc(Cl)ccc2Cl)cs1)c1ccc(N2CCNC2=O)cc1 782354718 OYUPLTVZWLFLGQ-FPLPWBNLSA-N 444.343 5.543 30 20 IKED COc1cc(Br)ccc1CCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 782581897 YQNJVVJHSNTKGQ-QGZVFWFLSA-N 441.350 5.390 30 20 IKED CCSCc1ccc(C(=O)[C@@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 787053017 PINUYTMQZLYPGA-FZKQIMNGSA-N 435.376 5.446 30 20 IKED C#CCn1ccc(CN(CC)C(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)n1 788882367 CKFSDTBUFGHYMQ-UHFFFAOYSA-N 441.362 5.144 30 20 IKED N#C[C@H](C(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)c1cnc2ccccc2n1 792107942 HZCNSUMCXIMPMF-OABJIQBASA-N 427.866 5.839 30 20 IKED N#CC[C@@H](CC(=O)O[C@@H](c1cccc(Br)c1)C(F)(F)F)c1ccccc1 796757374 UJONBTPGDCBRDM-KSSFIOAISA-N 426.232 5.683 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)s1 797571484 RZUPXBNDBCMRPF-PMACEKPBSA-N 431.561 5.178 30 20 IKED CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(C)(C)CCC#N)c1 798877981 SXDDRPVUHQVNAC-UHFFFAOYSA-N 448.972 5.042 30 20 IKED CCOC(=O)Oc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 799901499 FNZASGCZGYQQNA-UHFFFAOYSA-N 430.460 5.119 30 20 IKED N#CC1(CCCOC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)CCOCC1 800174053 YNAARXJGNUXPLK-UHFFFAOYSA-N 435.307 5.438 30 20 IKED C=CCN(Cc1ccccc1)Cn1nc(CN2CCCCC2)n(Cc2ccccc2)c1=S 914570386 FETUFZFXFIFRQC-UHFFFAOYSA-N 447.652 5.094 30 20 IKED CCN(CC)C(=O)Nc1ccc(C(C)=NNc2nc(Cl)c(Cl)cc2Cl)cc1 914771968 MLWJCSWAJSAOFQ-UHFFFAOYSA-N 428.751 5.752 30 20 IKED CC(=O)N(c1nc(C=NN(c2ccccc2)c2ccccc2)cs1)c1ccc(F)cc1F 916250015 SAZQYGCXYXHYAU-UHFFFAOYSA-N 448.498 6.278 30 20 IKED Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=NNc1ccc(Cl)nn1 916287550 CKKMWQXLPQUZMZ-UHFFFAOYSA-N 430.126 5.089 30 20 IKED Cc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cs2)cc1 916885708 AMXSFLLQDLZHNA-INIZCTEOSA-N 443.500 5.394 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(C)s2)ccc1OCC(=O)N(C(C)C)C(C)C 917044529 TUDCVJVZGCWFKL-LUAWRHEFSA-N 429.582 5.376 30 20 IKED C[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccc(C(F)(F)F)cc1 920140729 BFUHKKCFKDFFHW-KUHUBIRLSA-N 439.462 6.071 30 20 IKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(F)cn34)CCC2)cc1 1785843046 QDANXRWJXANJAU-UHFFFAOYSA-N 448.542 5.214 30 20 IKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C(F)(F)F)c3)CCC2)cc1 1786374082 BJSGATVFILQQCI-INIZCTEOSA-N 446.469 5.044 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cccc4ncsc34)cc2)CCC1 1789342193 DLZDFQFTOXIVQT-UHFFFAOYSA-N 449.576 5.027 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@H](C)Sc3cccs3)CCC2)cc1 1791583652 WAVDPCLHXFRFIZ-KRWDZBQOSA-N 426.607 5.166 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2C2CC2)[C@H]1c1cccnc1 1802501356 MAQOYMVOQDAVGJ-DHLKQENFSA-N 445.607 5.271 30 20 IKED C=CCC(F)(F)C(=O)N1CCC2(CCCN(C(=O)[C@@H](c3ccccc3)[C@@H](C)CC)C2)CC1 1809162321 MDKFZLAWBOZXED-RBBKRZOGSA-N 446.582 5.259 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)[nH]n1 1821920070 CVMYUTXAAKGVAF-FCBIJRMHSA-N 440.975 5.071 30 20 IKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3sccc3s2)[nH]n1 1822584572 VXPQEBZZTHCOFS-MRXNPFEDSA-N 440.594 5.185 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)cccc2F)CC1 1832548278 OLHQEEZZEUFAPS-FYYLOGMGSA-N 426.576 5.136 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(C)c(F)c2)cc1 11083301 MYMGFLVORAQWFP-UHFFFAOYSA-O 427.590 5.713 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cccc3ccccc23)cc1 11126335 OOYPDCBTQWZREC-UHFFFAOYSA-O 447.530 6.019 30 20 IKED CC[C@@H](CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1ccccc1 15569156 VHCVKGYUVSIMGR-FQEVSTJZSA-N 443.572 5.213 30 20 IKED N#Cc1ccccc1OCC(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 16069888 BBWXFGDIFOWNPA-HXUWFJFHSA-N 429.907 5.020 30 20 IKED C[C@H]1CN(Cc2csc(/N=C(\O)c3ccc(-c4ccc(F)cc4)s3)n2)C[C@H](C)O1 22301478 ZKXCPJLOZQSXQJ-KBPBESRZSA-N 431.558 5.256 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(CC)cc2)cc1 22731000 XDUGSNPZIUBZCK-UHFFFAOYSA-O 425.524 5.428 30 20 IKED Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)c1 29150169 HFRSOSUZKTWQGR-UHFFFAOYSA-N 447.560 5.158 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)nc2sccc2c1=O 36821472 YHERFOZSOFOHAJ-OAHLLOKOSA-N 427.595 5.195 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1ccc(Cl)cc1 59794907 ADFSZJWUHDQUMU-UHFFFAOYSA-N 437.327 5.308 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 60450974 SRIQARZBRKEAGJ-UHFFFAOYSA-N 436.920 5.031 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 63394776 GBIHVHFQCQLSBR-UHFFFAOYSA-N 432.911 5.406 30 20 IKED Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 64974141 RBCGEZHOLRNXQK-UHFFFAOYSA-N 441.531 5.084 30 20 IKED C[C@H](OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1F 105080082 OOTYNUHLBGFLTN-QMMMGPOBSA-N 441.274 5.186 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1nc(-c2ccc(F)cc2)cs1 195684269 GWQNXHSWYCBDJD-UHFFFAOYSA-N 444.491 5.498 30 20 IKED Cc1nc(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)c2ccccc2n1 248125340 WQNCOSLDARRJGA-UHFFFAOYSA-N 441.560 5.007 30 20 IKED N#Cc1cnc(Sc2nnc(-c3ccc(Br)cc3)n2C2CCCCC2)cn1 302246360 SVNZIBPIQBXPLE-UHFFFAOYSA-N 441.358 5.026 30 20 IKED C=CCOc1ccccc1CNC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1 303436063 AYISWRXIPQIXDU-UHFFFAOYSA-N 425.488 5.207 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cccc2cccnc12 409612212 LFEXRHCYSXLSSA-UHFFFAOYSA-N 428.305 5.034 30 20 IKED Cc1cccc(-n2ncc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)c2C(F)(F)F)c1 430611458 OPTGUPNSSPZKMI-CQSZACIVSA-N 432.471 5.444 30 20 IKED CC(C)Oc1cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)ccc1C(N)=O 433955902 RWAYZRDMSMTQRS-UHFFFAOYSA-N 449.894 5.142 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(F)c(F)cc3Br)cc2)nc1 435251265 FPMWHQQTHNHZCF-UHFFFAOYSA-N 430.208 5.039 30 20 IKED C=C(C)[C@@H](NC(=O)N1CCC(c2nc3cccc(C)c3o2)CC1)c1ccc(F)c(F)c1 436426237 VTDXLDULRQTGMJ-OAQYLSRUSA-N 425.479 5.621 30 20 IKED CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Nc1ccccc1SC[C@@H](C)C#N 438071931 IDHLCBRMIQLQLC-IBGZPJMESA-N 430.577 6.054 30 20 IKED CN(CC#Cc1ccc(OC(F)(F)F)cc1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 440546815 OIIHYKDTNQHHBN-NRFANRHFSA-N 431.845 5.102 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4csc(C)n4)cc3)n2)cc1 442518489 ZVLVXMXNOPWWBF-LJQANCHMSA-N 431.542 5.741 30 20 IKED CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccccc1Sc1ccccc1C#N 460667864 HCZSCKPODAMGPC-UHFFFAOYSA-N 443.572 5.427 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 463064296 IGERSTKDCBOUCI-UHFFFAOYSA-N 428.361 5.726 30 20 IKED C[C@H](CC(=O)c1ccccc1F)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 463289293 RXRUONKNLCGHNO-GOSISDBHSA-N 432.470 5.274 30 20 IKED N#CCCN(Cc1ccco1)C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 464012416 MPIYEHGACAISBJ-UHFFFAOYSA-N 440.862 5.272 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 464472637 FCVBZSHHXRDEQC-MRXNPFEDSA-N 432.833 5.106 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 464944384 XBWYDLNUJNHXCD-ICSRJNTNSA-N 441.478 5.741 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)cc1C 465462972 MXFQCNUHRGNQDU-QUCCMNQESA-N 432.490 5.179 30 20 IKED C=CCCCCCN(C)C(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C 466235786 NHJRKSPUQYZOKH-DEOSSOPVSA-N 442.625 5.184 30 20 IKED CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 467401916 DKJKWXIQQCAIGQ-MRXNPFEDSA-N 433.462 5.405 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(F)cc(F)c2Br)o1 468285803 LSIGQNVOWSRNNF-UHFFFAOYSA-N 433.208 5.023 30 20 IKED COc1cccc(CNC(=O)c2cn(CCCC#N)c3ccccc23)c1OC1CCCC1 469420854 VNPXANGKGFIPER-UHFFFAOYSA-N 431.536 5.205 30 20 IKED C[C@@H](O)C[C@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1 469504976 NIEASGCPQINVAT-HYBUGGRVSA-N 443.547 5.008 30 20 IKED CCC(C)(C)N(CCC#N)C(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 471167238 ATKLMIDOFKFNNM-UHFFFAOYSA-N 442.357 5.246 30 20 IKED COc1cccc([C@H](NCc2nnc(-c3ccc(C#N)cc3)o2)c2ccccc2Cl)c1 471683208 QYWBHVZLIULMBV-QHCPKHFHSA-N 430.895 5.149 30 20 IKED C[C@@H](Oc1cccnc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 475099430 PCQAUMIEAMUHFS-LJQANCHMSA-N 442.519 5.169 30 20 IKED CC(C)Oc1ccc(NC(=O)c2cc(Br)ccc2Br)cc1C#N 477085743 IELYHQYQBBMWAO-UHFFFAOYSA-N 438.119 5.123 30 20 IKED Cc1coc(-c2cc(NC(=O)NC3CCC(Oc4ccccc4C#N)CC3)ccc2C)n1 477977676 VFPCEXKITHZGDE-UHFFFAOYSA-N 430.508 5.342 30 20 IKED Cc1ccc(-n2c(SCc3nnc(-c4cccc(C#N)c4)o3)nnc2-c2ccco2)cc1 481401181 KSCNAQVLNWYVLE-UHFFFAOYSA-N 440.488 5.050 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 484602097 RPTCFKZWROQCTJ-CYBMUJFWSA-N 443.450 5.121 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2cccc(C(C)=O)c2)C(C)C)nnc1-c1cccs1 489389719 KDEPIFPRNCJDMY-IBGZPJMESA-N 440.594 5.151 30 20 IKED CN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)[C@@H](c1ccccc1)c1ncc[nH]1 493224332 DSVFFVBITKGABG-QHCPKHFHSA-N 442.906 5.589 30 20 IKED CCCOc1ccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc1OCCC 499441192 ZXTIFQDOFAIUFS-SFHVURJKSA-N 431.330 5.021 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)c1 502514972 GVRMTUXCRSOWOK-UHFFFAOYSA-N 446.482 5.333 30 20 IKED N#C[C@@H](C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1nc2ccccc2s1 502690817 WPXRWEKVDRPBJP-IBGZPJMESA-N 445.569 5.809 30 20 IKED N#CCCN(CC1CC1)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 505169595 PRTMOIFUZFRYSV-RGEXLXHISA-N 446.532 5.287 30 20 IKED N#C[C@H](NC(=O)Cc1csc2nc(-c3ccccc3)cn12)c1cccc(C(F)(F)F)c1 505982145 PQWZYVPGJOAZHM-SFHVURJKSA-N 440.450 5.005 30 20 IKED CC(C)(C(=O)Nc1ccc(CC#N)cc1)c1csc(-c2c(Cl)cccc2Cl)n1 506008382 BLYAXQAFDJYZGN-UHFFFAOYSA-N 430.360 6.099 30 20 IKED COc1ccc2[nH]cc(C3=CCN(C(=O)Nc4cc(C#N)ccc4OC(C)C)CC3)c2c1 507784006 HKXLPDVSWBWHGV-UHFFFAOYSA-N 430.508 5.157 30 20 IKED CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)o2)cc1 510219966 BORIYEGFWSQONC-UHFFFAOYSA-N 436.467 6.374 30 20 IKED CCN([C@@H](c1ccc(Cl)cc1)c1ccccn1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 510233830 QRTYDQSDXWOTAZ-NRFANRHFSA-N 446.359 5.060 30 20 IKED COc1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc(OC)c1OC 510519376 HJHKOMTZNSUMFZ-UHFFFAOYSA-N 447.491 5.007 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCCCC[C@H]2c2ccccc2)cc1 511356009 TWRMRWUWFWQMGY-MHZLTWQESA-N 439.559 6.481 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](NC(=O)c1cccs1)C(C)C 511572910 GFVUYVRTPFWZED-QFIPXVFZSA-N 433.533 5.114 30 20 IKED CCN(C)C(=O)c1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 511799764 OLVVQCZRHIFBDV-UHFFFAOYSA-N 433.895 5.348 30 20 IKED Cc1csc(N(CC(F)(F)F)C(=O)c2ccc(OCc3ccccc3C#N)cc2)n1 512638762 QQULOHZBDRPILX-UHFFFAOYSA-N 431.439 5.111 30 20 IKED Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)NCC(C)(C)CCC#N)C3)cc1 513109034 VQNCWZLEHRYGOK-UHFFFAOYSA-N 433.556 5.037 30 20 IKED N#C[C@@H](C(=O)c1ccc(COc2ccccc2Br)cc1)c1nc2ccccc2[nH]1 513658605 AEFYVQGDNZVERB-KRWDZBQOSA-N 446.304 5.394 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1 513778803 TWBOAMJIRQMWIK-AWEZNQCLSA-N 435.376 6.379 30 20 IKED CCOc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cs2)cc1 515540292 YESJCIUNBJYNND-OAHLLOKOSA-N 438.459 5.444 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1ccc(Cl)cc1Cl 515850947 GXMCSACMMBMJFV-OAHLLOKOSA-N 425.429 5.653 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1 517462001 XYICAKCESNEFTQ-HXOBKFHXSA-N 436.577 6.550 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 520196982 MMHFLINTMUVLQE-KRWDZBQOSA-N 446.580 5.277 30 20 IKED C[C@@H](SCC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nc2ccccc2[nH]1 521323960 AECIEUYSCLLELZ-MRXNPFEDSA-N 428.517 5.660 30 20 IKED Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c12 523647583 DKEHKXSASFWRKO-MRXNPFEDSA-N 443.413 5.433 30 20 IKED CC[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(F)cc1F 524128399 PLZNIMKDXRCYTR-QHCPKHFHSA-N 435.474 5.883 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1NC(=O)NC(C)(C)C 524628553 ZDUDBLKYJSLXRH-OAHLLOKOSA-N 439.466 5.150 30 20 IKED N#CCCN(C(=O)CCC(=O)N1CCc2sccc2[C@H]1c1cccs1)c1ccccc1 531503867 KFLDRSNPBMCRQC-DEOSSOPVSA-N 449.601 5.011 30 20 IKED C=C[C@@H](CC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1)c1ccccc1 533886386 BJSVVMMBMRKRCS-WTYVLRPYSA-N 427.544 5.538 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nn1C(F)F 534190600 HOHGBLYEPOWPIQ-NSHDSACASA-N 427.263 5.507 30 20 IKED CCN(Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1)[C@H](C)c1ccc(C#N)cc1 535978692 RESBQQDXLRAARY-HXUWFJFHSA-N 446.620 6.208 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(Oc4ccc(Br)cc4)nc3)[nH]c12 536720346 CLZBNZNNNULWLE-KRWDZBQOSA-N 447.292 5.311 30 20 IKED N#Cc1ccc(S(=O)(=O)Nc2ccc(SCc3cccnc3)cc2)cc1C(F)(F)F 537750460 SQYGKRGYNQNIHE-UHFFFAOYSA-N 449.479 5.065 30 20 IKED COc1ccc2cc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c(C)nc2c1 538768915 CFOQHSIAUCYKSO-MRXNPFEDSA-N 435.455 5.444 30 20 IKED Cc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)sc1SCC#N 542539561 SRCBRXXOOIEJOU-UHFFFAOYSA-N 448.595 5.510 30 20 IKED CCN(CC)C(=O)c1ccc(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 542928818 VDNDWXFQPXNIJE-LJQANCHMSA-N 425.532 5.198 30 20 IKED C[C@H]1COc2ccccc2CN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 542944573 AQUMNNIPPNEEOS-IBGZPJMESA-N 427.504 5.147 30 20 IKED CN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 543519193 XITNQPAMIKVTNC-AHWVRZQESA-N 444.506 5.269 30 20 IKED Cc1ccc(-c2ccc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)s2)o1 543805351 GHNYJKMIKIEPOK-ZDUSSCGKSA-N 435.530 5.396 30 20 IKED CCOCCOCc1cccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 543870611 APCXTTNDQBAMIV-FQEVSTJZSA-N 443.547 5.661 30 20 IKED Cc1oc(NC(=O)CN[C@@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)c(C#N)c1C 544471071 KCDXXCQKDDFNID-LBPRGKRZSA-N 428.945 5.143 30 20 IKED COc1cc(C#N)ccc1NC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 546709512 KEUXSWJUFIRQFP-UHFFFAOYSA-N 443.887 5.234 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C 548955386 FJGMPQAQRMJPFE-WMZHIEFXSA-N 436.625 5.361 30 20 IKED CC(C)c1oc([C@@H]2CCCN2C(=O)c2cc(C#N)cc(N(C)C)c2)nc1-c1ccccc1 550970602 QCAKTEMSPWXRSO-QFIPXVFZSA-N 428.536 5.380 30 20 IKED Cc1coc(-c2cccc(NC(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)c2)n1 553391904 LRVRRZXOFOUZAV-UHFFFAOYSA-N 434.927 5.420 30 20 IKED CCn1c(-c2cc(-c3ccccc3Cl)nc3ccccc23)nnc1N1CCC(C#N)CC1 555024997 ZBQKFGOAALSIMC-UHFFFAOYSA-N 442.954 5.574 30 20 IKED CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 555034766 JPSPAKCNWMGLIK-UHFFFAOYSA-N 430.755 5.079 30 20 IKED C[C@](C#N)(NC(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C1CCCCC1 559596285 NTASLRKJBWVLQC-DNOZHDGYSA-N 447.623 5.112 30 20 IKED C[C@H](NCCc1cc(C(F)(F)F)ccn1)c1ccc(OC(F)F)cc1OC(F)F 559895307 XEPIFFRDNHOAMV-JTQLQIEISA-N 426.332 5.197 30 20 IKED COc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c(Cl)c1 562189372 IOGXMUISHZOMNT-UHFFFAOYSA-N 435.867 5.009 30 20 IKED CSCC[C@@](C)(C#N)NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 569047512 CAGAVFBYVMJYSJ-IBGZPJMESA-N 435.958 5.165 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 603990712 LGXSDBTWRVLKAW-UHFFFAOYSA-N 441.556 5.588 30 20 IKED C=CCOc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)cc1OC 607039445 YJZDFGFEJSPZFU-NRFANRHFSA-N 446.547 6.016 30 20 IKED O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1c(F)cc(F)cc1F 607501405 OJTSRLZJWCHRFM-UHFFFAOYSA-N 430.279 5.701 30 20 IKED C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C1 608638008 FHCZIPWYPALXLN-NLIDSEJHSA-N 440.403 5.828 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)c1C#N 608878705 MFYJYDUPLZSUPH-MRXNPFEDSA-N 448.592 5.128 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCCN1CCCC[C@H]1C 609079291 USRMOCVHNTXUCI-OAQYLSRUSA-N 434.584 5.222 30 20 IKED C[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1cc(F)c(Cl)cc1Cl 609092065 UHRQNQGRXBVEHB-AWEZNQCLSA-N 436.314 5.037 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H](c3ccccc3)c3ccco3)s2)cc1 609206684 ZCCBLSWIBHFAIA-IBGZPJMESA-N 447.545 5.206 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)NCc1ccc(C#N)cc1F 609293702 UWKCOIJENZBKQM-ZDUSSCGKSA-N 428.920 5.343 30 20 IKED CC(C)(C)n1nc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1C1CC1 609378477 KQWCFMWPFAPSII-UHFFFAOYSA-N 436.503 5.792 30 20 IKED CN(C(=O)c1cccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)c1)c1ccccc1 609415067 OVRZSHQJDHHZNM-XMMPIXPASA-N 425.532 5.255 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)NCc3ccc(CN4CCCCCC4)cc3)cc2)nc1 609520443 MBXLPZIZIKPIFJ-UHFFFAOYSA-N 440.547 5.052 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)CCSc3ccc4c(c3)OCCO4)c2)c1 609968108 GCTFWRBSGIGGEU-UHFFFAOYSA-N 446.528 5.029 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(O)nc3ccc(F)cc23)cc1 609970156 XVJCASFGHARGJK-UHFFFAOYSA-N 429.407 5.004 30 20 IKED COc1ccc(SCCC(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1OC 610116746 IJOJWNPRCKDMKJ-UHFFFAOYSA-N 430.595 5.417 30 20 IKED COc1cc(CN[C@H](C)c2cccc(C#N)c2)ccc1OCc1cccc(C(F)(F)F)c1 610344751 HEFTWLURYCYEID-QGZVFWFLSA-N 440.465 6.015 30 20 IKED Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(N[C@H]3CCCc4cc(C#N)ccc43)cc2Cl)n1 611482538 ZCIJQYLQJIGKPP-SBUREZEXSA-N 447.970 5.714 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4ccc5ccccc5n4)cc3)o2)cc1 613290917 OVAAIRMXAHBXIL-QFIPXVFZSA-N 430.467 5.750 30 20 IKED COc1cc(C#N)ccc1NC(=O)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1 613302349 WLTJOJQJCUCPPG-HNNXBMFYSA-N 442.235 5.145 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)n[nH]2)o1 613344940 XPJXRLQXZPAEGD-CYBMUJFWSA-N 443.315 5.899 30 20 IKED C=CCN(Cc1ccccc1)C(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1 616148536 ZBXWDLCWKVRWGE-UHFFFAOYSA-N 428.536 5.537 30 20 IKED C=CCc1cc(CN[C@@H](CC(F)(F)F)c2ccc(Br)cc2)cc(OC)c1O 680485868 QJXQOYGOMDADRD-KRWDZBQOSA-N 444.291 5.675 30 20 IKED C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 681497249 KYPXTFQQDVOHCB-SUZMYJTESA-N 434.327 5.264 30 20 IKED C=C(CNC(=O)c1ccccc1Sc1ccc(S(=O)(=O)CC)cc1)c1ccccc1 685215892 TYBXOPHQOZNQMB-UHFFFAOYSA-N 437.586 5.075 30 20 IKED C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 729319097 GUFDZYAEPKNFRX-HXOBKFHXSA-N 441.918 5.449 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 729404076 QGTSOTJVFCKQLZ-UHFFFAOYSA-N 433.464 5.330 30 20 IKED CC(=NN=c1cc(C(F)(F)F)[nH]c(-c2ccncc2)n1)c1cccc(Cl)c1Cl 735975855 DAJHEOGUWPAGDI-UHFFFAOYSA-N 426.229 5.122 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCSc2ccc3c(c2)OCCO3)cc1 737501429 BIXWJAOGZNAPHX-JOCHJYFZSA-N 430.529 5.234 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC[C@H]1NC(=O)OC(C)(C)C 741059937 WWONCYQDGNDPGP-SXSPYAJSSA-N 448.567 5.109 30 20 IKED COC(=O)[C@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)c1ccc(C#N)cc1 741736222 JLTAQXYYOZQRME-OAHLLOKOSA-N 433.967 5.195 30 20 IKED CC(C)(C)c1ncc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)s1 744036006 WCEQNCWSCQHHJW-ROJDOSBLSA-N 427.982 6.107 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)[C@H](Oc3ccc(Cl)cc3)c3ccccc3)o2)c1 744879420 BFNGQOLZBBRSCR-JOCHJYFZSA-N 445.862 5.125 30 20 IKED C/C(=C/C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1cccc(C(F)(F)F)c1 745482321 DTGHFUCTATVUCY-KGAUPUERSA-N 448.416 5.126 30 20 IKED C=CC[C@@H](NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1ccncc1 745825529 KGMCWQGXTFWSPZ-QPPBQGQZSA-N 449.938 5.212 30 20 IKED COc1ccccc1Nc1nc(Cl)c(C=NNc2oc(C(C)(C)C)nc2C#N)s1 746498327 WEAARZSCODNWGW-UHFFFAOYSA-N 430.921 5.152 30 20 IKED Cn1c(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1-c1ccc(F)cc1 749163245 GAWFMUOLAFGSHE-NHAGDIPZSA-N 436.371 5.471 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)[C@H](CC)c2cccc(C(F)(F)F)c2)ccc1OC 752312768 SGBCAVNWGSKXAX-RTBURBONSA-N 434.458 5.205 30 20 IKED CO[C@H]1Cc2ccc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2C1 752937165 LMGZBIXQGBEDSD-VWLOTQADSA-N 429.495 5.045 30 20 IKED COc1ccc(CCCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(OC)c1 754532639 WYIOJBODAPWTGA-MRXNPFEDSA-N 448.466 5.531 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 755757506 WGWDIFBDKGGAHQ-UBFVSLLYSA-N 429.495 5.523 30 20 IKED Cc1cccc(Cl)c1NC(=O)CON=C(Cc1nc2ccccc2n1C)c1ccccc1 756913340 LRVUHYKCTWCDJN-UHFFFAOYSA-N 446.938 5.137 30 20 IKED C#CC[C@H](NC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccccc1 757631749 ZYXBCCNOXBTFJK-UUOWRZLLSA-N 429.495 5.203 30 20 IKED N#Cc1cccc([C@H]2CN(Cc3c(-c4ccc(Cl)cc4)nc4sccn34)CCO2)c1 761760916 XIXAOBKLMOVZNW-OAQYLSRUSA-N 434.952 5.161 30 20 IKED CCCN(C(=O)c1ccccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C(C)C 767882887 OKPCKNHFWHQBTL-UHFFFAOYSA-N 430.552 5.140 30 20 IKED N#CCCCn1cc(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)c2ccccc21 769544554 QVBZGOUQUTYHGM-UHFFFAOYSA-N 443.475 5.055 30 20 IKED Cc1nc(COc2ccc(NCc3cccc(OCc4cccc(C#N)c4)c3)cc2)no1 770566153 DLSHGMKFNGNWMK-UHFFFAOYSA-N 426.476 5.020 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cc1 772308697 GPAFGTKGFPFQGB-GHTZIAJQSA-N 449.551 5.177 30 20 IKED N#C[C@@H](COC(=O)c1cc(Oc2cccc(Br)c2)ccn1)Cc1cccs1 772742748 MSWIWNREJSRHIE-AWEZNQCLSA-N 443.322 5.237 30 20 IKED O=C1/C(=C\c2ccc(OCc3occc3C(=O)O)cc2)CCc2ncc(C(F)(F)F)cc21 777467413 KDNHMXCGJSUZHZ-ZROIWOOFSA-N 443.377 5.183 30 20 IKED N#CCOc1cccc(NC(=O)N[C@@H](CC2CC2)c2cc(F)cc(Br)c2)c1 779403128 KATNUXXBIMJVKQ-IBGZPJMESA-N 432.293 5.153 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2 780153035 YTNAAMHXSQAOHV-UGDGIKRESA-N 449.510 6.248 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 780304921 AWDDHIPFRLMXMO-HXUWFJFHSA-N 425.875 5.516 30 20 IKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccsc2)N(C2CCC2)C1=O 790738283 GSNMZKOJALLODM-KRWDZBQOSA-N 433.986 5.223 30 20 IKED COc1ccc([C@H](C)C(C)=NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc1OC 794512221 QVXHUCANHJBFBN-CYBMUJFWSA-N 445.445 5.166 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(C)Cc2ccccc2SC)c1=S 794657872 VKHKCLTZRTYTNW-UHFFFAOYSA-N 426.611 5.087 30 20 IKED O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)OCc1cncn1CC(F)(F)F 797118254 GSCCASRWJBHESY-OWOJBTEDSA-N 446.269 5.240 30 20 IKED N#C[C@@H](C(=O)C(Cc1ccccc1)Cc1ccccc1)c1nc2ccccc2n1C(F)F 798816019 FFJZXBHAZWGNRO-NRFANRHFSA-N 429.470 5.709 30 20 IKED COc1cccc([C@@H](CNc2nc(Cl)c(C#N)s2)c2c[nH]c3ccccc23)c1OC 804325848 YQBNECPRXRLEIR-MRXNPFEDSA-N 438.940 5.411 30 20 IKED C#C[C@@H](NC(=O)c1ccccc1SCc1csc(C)n1)c1ccc(Cl)cc1F 804413907 CUGSQPIDDUAMFB-LJQANCHMSA-N 430.957 5.641 30 20 IKED C=CC[C@@H](NC(=O)C(=O)N(C)[C@@H](c1ccc(Cl)cc1)C(CC)CC)c1ccncc1 805812683 BDNHKHJCTVUFIY-FGZHOGPDSA-N 427.976 5.104 30 20 IKED COc1ccc2cc(NC(=O)C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)ccc2c1 806966501 IGOISVPOAOPSQB-GOSISDBHSA-N 449.510 5.203 30 20 IKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccco2)cc1 916214170 LMIBTHAJYUXWEC-OAQYLSRUSA-N 433.533 5.003 30 20 IKED Cc1ccccc1-c1nn(-c2ccccc2)cc1C=Nn1cnc2sc(C)c(C)c2c1=O 916310740 HBLSHEFZPKLWCY-UHFFFAOYSA-N 439.544 5.118 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2sc(C(C)(C)C)nc2C)cs1 917560862 ZZIBXOSSWQHGFU-FLIBITNWSA-N 443.569 5.925 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cs1 917561305 ADKGHTXIJSLJLS-UXBLZVDNSA-N 431.344 6.339 30 20 IKED Cc1cc(-c2noc(CCC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)n2)ccc1F 918156136 PDFBWQQVDGBYON-QFIPXVFZSA-N 440.478 5.411 30 20 IKED Cc1c(C(=O)O)oc2c1C(=O)/C(=C/c1csc(-c3cccc(Br)c3)n1)CC2 920069108 UAPUFZPNCZEFJM-DHZHZOJOSA-N 444.306 5.385 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(O)c2ccc(Cl)cc2n1 1640926532 KPEDYWVKMPTROP-LBPRGKRZSA-N 444.969 5.114 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@H](C)c3ccc(OC)cc3)CCC2)cc1 1791726421 UEMFALVAFMBYLK-HXUWFJFHSA-N 432.564 5.126 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)sc1Cl 1798982869 LSJOVUFLYYVXDR-BTTYYORXSA-N 429.413 5.299 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccnc1 1810504885 IZXGNEVFIHBHRC-IRLDBZIGSA-N 439.987 5.047 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccccc2Cl)[nH]n1 1814826932 KMAJDATXGULDBC-NRFANRHFSA-N 440.975 5.066 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ncccc23)[nH]n1 1814829833 WRDDKPXHUMWTQB-HSZRJFAPSA-N 443.551 5.032 30 20 IKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCCCC(C)(C)C)[nH]n1 1815209704 QUWDRKCDSBEBAI-NRFANRHFSA-N 446.636 5.381 30 20 IKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](S)C(C)C)CC1 1824538436 UFNJGLVKMIGCQJ-IRLDBZIGSA-N 448.673 5.073 30 20 IKED CC1=CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)CC1 1828351078 FQKFNFJYGSKODH-KJOQGJGQSA-N 447.623 5.293 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)ccc2C)CC1 1830624650 FOEYREJJFZLJHQ-XMMPIXPASA-N 440.628 5.229 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 1831862396 SAAPMMJBODMNCD-LJQANCHMSA-N 442.909 5.168 30 20 IKED C=CCn1c(SCc2nnc(-c3ccccc3Cl)o2)nc2sc(C)c(C)c2c1=O 11148590 XQMKGZKHZXEUGS-UHFFFAOYSA-N 444.969 5.257 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2C)nc2sc(C)c(C)c2c1=O 16715518 QRTXETULYMOQCE-AWEZNQCLSA-N 448.013 5.342 30 20 IKED Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)cc1 16791860 KTCKHCONATWEMQ-CQSZACIVSA-N 438.578 5.366 30 20 IKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2cccc(O)c2)cc1 22731108 QEBDPUSEAKMEAC-UHFFFAOYSA-O 446.379 5.600 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](Sc1nc2c(c(C)c1C#N)CCC2)c1ccccc1 24851483 NFNVVXAOLRTGHH-DEOSSOPVSA-N 443.572 5.621 30 20 IKED Cc1c(C#N)c(S[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)nc2c1CCC2 29590435 OTZHCYJNMHSJQZ-GFCCVEGCSA-N 434.546 5.162 30 20 IKED N#CCCSc1ccccc1NC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 78668331 ZRPBUCIIZBUBAO-UHFFFAOYSA-N 449.536 5.393 30 20 IKED C[C@@H](Oc1ccc(F)cc1Br)C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 303594011 PHKKZZACGJWGQX-OTYXRUKQSA-N 446.103 5.043 30 20 IKED Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 303613874 LWOJEDAFVGCPHC-UHFFFAOYSA-N 427.504 5.293 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(OCC4CCOCC4)cc3)c2)cc1 303865185 PPCSFZOTYQFJOG-UHFFFAOYSA-N 442.515 5.195 30 20 IKED N#CCCC[C@@H](NC(=O)N[C@@H]1CCOc2c(Br)cccc21)c1ccccc1 431312351 IVPMOBRKHWYOMA-RTBURBONSA-N 428.330 5.007 30 20 IKED N#CCCn1cc(CNCc2ccc(-c3ccc4c(c3)CCCO4)cc2)c(-c2ccncc2)n1 433317022 CCUHZRPBFFXYNY-UHFFFAOYSA-N 449.558 5.141 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F 437972730 SFCSQIMUWIYONZ-QYBDOPJKSA-N 443.522 6.200 30 20 IKED COc1ccccc1C[C@H](C)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 438187544 PYISBLBLWRYPDN-SFHVURJKSA-N 445.519 5.463 30 20 IKED CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 441455979 DZPMAVLPDUAJFG-UHFFFAOYSA-N 448.832 5.028 30 20 IKED C=CCC[C@H](NC(=O)Nc1cc(C(F)(F)F)cnc1O)c1ccc(C(F)(F)F)cc1 442197376 WBHYJKZJSWBESJ-AWEZNQCLSA-N 433.352 5.654 30 20 IKED COCc1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c(-c2ccccc2)s1 442506578 AFEXLMOJSUHILA-SFHVURJKSA-N 445.569 5.879 30 20 IKED Cc1nc(C2CCCC2)sc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 442817813 YVXXQTFQAZTLSM-CYBMUJFWSA-N 429.517 6.001 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(-c2nc(CC(=O)Nc3ccccc3F)no2)cc1 445301920 NVDVLZRTSKXBMO-UHFFFAOYSA-N 428.423 5.029 30 20 IKED CC(C)N(Cc1cccc(F)c1)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 446893484 TUFGGVNHBJPDHI-UHFFFAOYSA-N 449.457 5.004 30 20 IKED COCCN(C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1ccc(C#N)cc1 460353848 RCPOFJKMQALWDC-UHFFFAOYSA-N 432.332 5.282 30 20 IKED C[C@@H](CC(=O)c1ccccc1F)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 463289298 RXRUONKNLCGHNO-SFHVURJKSA-N 432.470 5.274 30 20 IKED C[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccc(Br)s1 463387685 BRMMNQOFGURDTJ-SECBINFHSA-N 433.249 5.066 30 20 IKED C=CCOc1cc(OC)ccc1C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl 463582251 KMBPWCCUMWWHDN-UHFFFAOYSA-N 436.895 5.418 30 20 IKED CCO[C@@H]1C[C@@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C12CCCC2 466430180 GUHBTNNKYLNLJX-DNQXCXABSA-N 433.552 5.191 30 20 IKED N#CCSCCCSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1 466622759 HTFUTNIHCPZUTG-UHFFFAOYSA-N 439.393 5.632 30 20 IKED Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1 466940222 WIGYVGYWDLBWGF-LAUBAEHRSA-N 447.457 5.097 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1nnc(-c2ccccc2)s1 467316612 MUKLJYHDSXDYGM-OAHLLOKOSA-N 440.619 5.471 30 20 IKED Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 467377415 PBUPLLVYUAKSBA-MRXNPFEDSA-N 449.530 5.419 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC(c3ncccc3Cl)CC2)c1 469960823 CANVKDOLKQYZKD-UHFFFAOYSA-N 431.923 5.205 30 20 IKED C[C@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1nc(C(F)(F)F)cs1 470558844 KXWQGVPJQOWRNT-ZDUSSCGKSA-N 431.439 5.104 30 20 IKED Cc1c(C#N)c(NC(=O)CCN2CC[C@H](C)C[C@H]2c2ccco2)n(Cc2ccco2)c1C 472248013 JPNNFPZPPJBVMC-JTSKRJEESA-N 434.540 5.013 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)c3ccc4noc(-c5ccc(F)cc5)c4c3)CC2)cc1 473445741 VXHQGKOTALROJE-UHFFFAOYSA-N 441.462 5.189 30 20 IKED C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 474275877 PKBKRZVEEPPPEU-SJCJKPOMSA-N 449.366 5.863 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 474436271 CZYVNPWEYATWIU-ZBFHGGJFSA-N 435.509 5.233 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(NC(=O)Nc2ccccc2)s1 474982719 AMGDJRVSSUTFJB-WOJBJXKFSA-N 430.533 5.304 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H]2CCN(c3ccccc3)C2)cc1 478189863 IUIAAKQSNQHUNN-QFIPXVFZSA-N 427.573 5.107 30 20 IKED COc1ccc(CSCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1Cl 478614778 CHPKMMAMSRGACX-UHFFFAOYSA-N 443.956 5.152 30 20 IKED COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 481929295 FXBNEQOWLNHUML-DEOSSOPVSA-N 428.488 5.345 30 20 IKED CN(Cc1ccccc1C(F)(F)F)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F 482376343 MTCSKGHXPBDIHF-OAHLLOKOSA-N 426.307 5.429 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c(-c3cccc(Cl)c3)noc2C)cc1 483380323 UIEWUGIZUFORHT-UHFFFAOYSA-N 435.911 5.370 30 20 IKED CCc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 483995641 SCXGBVOVLAYVST-INIZCTEOSA-N 433.817 5.571 30 20 IKED Cc1noc(C)c1COc1cccc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)c1 486575232 MJKVFLRLOVMBTC-UHFFFAOYSA-N 433.552 5.195 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc4c(s3)CCC4)s2)c(C(F)(F)F)c1 487447967 SIDLIJSDXLCLPB-UHFFFAOYSA-N 433.480 5.427 30 20 IKED CC(C)(C)n1ncc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c1-c1ccccc1 488222639 YKCXYXOCGVGRAP-INIZCTEOSA-N 433.462 5.540 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](COc1ccccc1F)C(C)(C)C 490254019 XDCKHYJSPAGPRA-IERDGZPVSA-N 429.561 5.835 30 20 IKED C=CCN(CCc1ccco1)C(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1 490293504 ZQSPLDCDPDHTFV-UHFFFAOYSA-N 443.341 5.195 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 499532252 HVDJGUKNYPEEQB-UHFFFAOYSA-N 439.968 5.228 30 20 IKED CC[C@H](C)n1ncc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c1C1CC1 505346107 VNCCXCITTXLVSK-UUOWRZLLSA-N 428.536 5.305 30 20 IKED N#C[C@@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1c(Cl)cccc1Cl 505534859 ZHEUCHIHNSYGFN-OAHLLOKOSA-N 435.698 5.010 30 20 IKED Cc1c(NC(=O)c2cc(C#N)ccc2Cl)cccc1C(=O)N1CCc2sccc2C1 505978061 XYFWBOGNIMUPSM-UHFFFAOYSA-N 435.936 5.032 30 20 IKED N#CCCCn1cc(C(=O)N2CCCC[C@H]2c2ncc(-c3ccccc3)[nH]2)c2ccccc21 507272189 YOYUJWYBGXCCNZ-VWLOTQADSA-N 437.547 5.703 30 20 IKED C=CCN(C(=O)Cc1cn2cc(Cl)cc(Cl)c2n1)c1nc(-c2ccccc2)cs1 507907589 IOEFGZSSCXWZRP-UHFFFAOYSA-N 443.359 5.526 30 20 IKED CC(C)[C@H](CNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1 508151930 RKCMPURWNRIJDY-APWZRJJASA-N 444.000 5.229 30 20 IKED CCn1c(SC[C@@H](C#N)CCC#N)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 508554387 UWRKQCXOHHVPOG-CQSZACIVSA-N 426.542 5.128 30 20 IKED CN(CCCCc1ccccc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510211098 LAWKLXSYOPAOBT-UHFFFAOYSA-N 437.594 5.189 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1 510348050 VPUJTOJKAUBQCQ-UHFFFAOYSA-N 425.532 5.412 30 20 IKED Cc1ccc(OCc2cccc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)c2)cn1 511166683 BYKPTCNFERVLAC-HXUWFJFHSA-N 426.303 5.271 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(NC(=O)CC(F)(F)F)cc3)c2)cc1 513025514 GPMADPFBBAEWET-UHFFFAOYSA-N 439.393 5.494 30 20 IKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCO[C@H](c2ccc(F)cc2)C1 515109407 RIRNDLZGBHCPIR-INIZCTEOSA-N 436.327 5.469 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 515768317 AUNDIVFAHRDUHR-UHFFFAOYSA-N 430.508 5.559 30 20 IKED Cc1nc(-c2ccccc2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 517800987 VCFIUCAIUMJSOQ-GOSISDBHSA-N 426.526 5.604 30 20 IKED N#C[C@H](NC(=O)CCCc1ccc(Br)s1)c1cccc(Cl)c1Cl 519485428 ZPLGUGSUWPFWMF-ZDUSSCGKSA-N 432.170 5.521 30 20 IKED COc1ccc(COc2cccc(F)c2)cc1N[C@H](C)C(=O)N(CCC#N)c1ccccc1 521150324 UTSAXHBJTHBJAF-LJQANCHMSA-N 447.510 5.161 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2nnc(-c3ccccn3)s2)cc1 521278519 KDBKPKRLOXMFSE-UHFFFAOYSA-N 429.530 5.016 30 20 IKED CC(=O)c1cccc(NC(=O)[C@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 521733745 IKQOHGHBHQQCJH-ZDUSSCGKSA-N 435.471 5.353 30 20 IKED Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)o1 523419372 BYTYKNBFHJABMT-VWLOTQADSA-N 443.547 6.382 30 20 IKED CSc1cccc(N(C)C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 523837762 IRTRXBRZPAHXIE-UHFFFAOYSA-N 447.585 5.288 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc(-c3csnn3)cc2)c1 523955658 CIRXJXRJEHDNKY-UHFFFAOYSA-N 432.892 5.775 30 20 IKED CC(C)(C)Cc1nc(-c2ccc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)cc2)no1 525059433 HGGAXVOHDOPYRF-GOSISDBHSA-N 442.441 5.339 30 20 IKED C=C(C)[C@@H](CC(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C)OCC 533706439 RHADCWWLVZMAFS-CXAGYDPISA-N 437.403 5.430 30 20 IKED Cn1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c(-c2ccccc2)n1 538035526 SUKDWJPWNJEHHK-UHFFFAOYSA-N 428.879 5.657 30 20 IKED C[C@H]1C[C@@H]1[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1 539424553 MOXIUXSMYXMZCZ-YJUYQMCSSA-N 428.001 5.517 30 20 IKED COC(=O)[C@@H](C)Sc1ccccc1C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 541109335 ITXGGIPUTHUHKC-ZWKOTPCHSA-N 444.556 5.370 30 20 IKED O=C(CN[C@H](c1cccc(F)c1F)C(F)(F)F)Nc1ccc(Cl)cc1C(F)(F)F 542262588 BZBIIOYEPNKDLH-OAHLLOKOSA-N 446.725 5.469 30 20 IKED N#Cc1ccc(CN(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)C2CC2)cc1 543305167 CBWSBPGLARUVEN-RUZDIDTESA-N 434.543 5.546 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)C2CC2)cc1 544222678 REOULAWQIISCLK-UHFFFAOYSA-N 432.911 5.382 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccc(Cl)cc1)c1ccn(C)n1 546577257 GAMMXYVZTFZRCM-YCRPNKLZSA-N 439.972 5.379 30 20 IKED COc1ccccc1-c1csc(C2CCN(c3nc4cc(Cl)ccn4c3C#N)CC2)n1 553245900 LTDNVESCSLDVNN-UHFFFAOYSA-N 449.967 5.375 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3CCCCC[C@H]3/C=C\c3cccs3)CC2)c(F)c1 556962774 YSTMZRACUPXZMZ-GEPASTNRSA-N 437.584 5.460 30 20 IKED CC(C)c1ccc(-c2nnc(SCC(=O)N(CCC#N)c3cccc(Cl)c3)o2)cc1 559624184 ALZZVKADGBOZQI-UHFFFAOYSA-N 440.956 5.552 30 20 IKED C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)CCCCOc1cccc(C#N)c1 561066898 GUDVJJMXPQLVPF-JTSKRJEESA-N 446.469 5.115 30 20 IKED N#CCCCn1cc(C(=O)N2CCC3(CCN(Cc4ccccc4)CC3)C2)c2ccccc21 561320380 BKIPBLJRXGOZBU-UHFFFAOYSA-N 440.591 5.073 30 20 IKED C=CCn1c(Cc2ccc3ccccc3c2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 570887629 GPOVPFFONYASNO-PSTIOWGYSA-N 444.604 5.143 30 20 IKED CC(C)C(=O)N(C)Cc1ccc(C(=O)N(Cc2ccccc2)c2ccccc2C#N)cc1 574968034 KVVWBDFVMKVDJT-UHFFFAOYSA-N 425.532 5.020 30 20 IKED N#CC[C@H](Cc1nc(CC(=O)Nc2ccccc2Oc2ccccc2)no1)c1ccccc1 583314597 KWMLHVOGZDPCGA-HXUWFJFHSA-N 438.487 5.283 30 20 IKED COCCC[C@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)c1ccc(Cl)cc1 586855187 MNLMCBHZAPLUHF-OAHLLOKOSA-N 425.743 5.459 30 20 IKED CCN(c1ccccc1)S(=O)(=O)c1cc(NCc2ccccc2C#N)ccc1Cl 589354498 DVWHSLSMHZUGNY-UHFFFAOYSA-N 425.941 5.039 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1 591108776 XHYTYLLCWMMSJS-UHFFFAOYSA-N 426.925 5.121 30 20 IKED COc1ccc(C(=O)C2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)cc1 596386373 MJERBNRZGPYMMM-QGZVFWFLSA-N 437.565 5.216 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H]3c3nc4ccccc4s3)s2)cc1 603648797 QKMYWYRJQNILIQ-IBGZPJMESA-N 445.573 5.584 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc(Br)ccc3Cl)cn2)cc1 603764378 NIIUUMOJGYLIIL-UHFFFAOYSA-N 428.673 5.414 30 20 IKED Cc1nc(C)c(-c2csc(NC(=O)c3ccccc3Sc3ccccc3C#N)n2)s1 603769916 CWCNCSVDBXHNEK-UHFFFAOYSA-N 448.598 6.159 30 20 IKED N#Cc1c(NC(=O)c2ccc(I)cc2Cl)sc2c1CCCC2 609054549 WMAYFFBJPWRGKY-UHFFFAOYSA-N 442.709 5.009 30 20 IKED Cn1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(C2CCCCC2)n1 609062531 TYGJXQKXZFITBC-UHFFFAOYSA-N 448.954 5.824 30 20 IKED Cc1cccc(CC2CN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)C2)c1 610631655 RALGMPYRMOQWEV-UHFFFAOYSA-N 425.532 5.461 30 20 IKED C[C@H](NC(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1)c1ccc(C#N)cc1 612462139 DKZKNYPULMPHAR-YVEFUNNKSA-N 440.263 5.375 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)nnc1-c1ccccc1F 613388095 LJBSWKFIERNAGJ-GJZGRUSLSA-N 444.963 5.282 30 20 IKED C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618450076 KXIJGSGEFIIONE-JLLWLGSASA-N 436.318 5.095 30 20 IKED O=C(NCC1(c2ccc(F)cc2)CCCC1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618556044 XPKLHDNLUQOTAK-HUUCEWRRSA-N 440.403 5.410 30 20 IKED N#Cc1cc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OC(F)(F)F 619667136 FCHTYIGOSICEHJ-NXEZZACHSA-N 449.273 5.051 30 20 IKED COc1ccccc1-c1nc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cs1 622255359 XRMQVKOOJSXNNO-CYBMUJFWSA-N 425.922 5.572 30 20 IKED CC(=O)c1ccc(C#N)cc1N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 680373356 BAIDWQSNBAFMIL-VWLOTQADSA-N 444.579 5.454 30 20 IKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1ccc(OC(F)F)cc1 728062699 NYXWRNUKRNLLOR-INIZCTEOSA-N 437.446 5.178 30 20 IKED CCOc1ccc(Br)cc1CN(C(=S)Nc1ccccc1C#N)C1CC1 728794152 ZXJDTQTVQXOJDY-UHFFFAOYSA-N 430.371 5.081 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\Cc3c(ccc(Cl)c3Cl)C2=O)cs1 729151381 SADFZPSLOMLRBX-XYOKQWHBSA-N 447.318 6.096 30 20 IKED Cc1ccc(S[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3n2C)c2ccccc2)c(C)c1 730071245 OHJCUAKCWCNLIX-NLFFAJNJSA-N 425.557 5.900 30 20 IKED COc1ccc(-c2ccc(C(=O)Nc3nc(C)c(SCC#N)s3)c(F)c2)c(F)c1 730477345 HPNTXPMYPSBILS-UHFFFAOYSA-N 431.489 5.273 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC([C@@H](O)c4ccc(F)cc4)CC3)cc2)c1 731400625 RGNKOQXNFSDGOO-VWLOTQADSA-N 445.494 5.467 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)ccc1OC 733657874 PEFBSHZLQYIUAP-KDOFPFPSSA-N 448.350 5.170 30 20 IKED CC(C)(CCC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)NC(=O)OC(C)(C)C 737542033 YFIKUGMPQWISQZ-UHFFFAOYSA-N 437.540 5.159 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c2)s1 739591502 YILMBAUGDKCVEU-UHFFFAOYSA-N 449.535 5.071 30 20 IKED COc1ccc(-n2c(-c3ccccc3Cl)nn(CN(CCC#N)C(C)C)c2=S)cc1 739847217 QOEBCDPUKINSGQ-UHFFFAOYSA-N 441.988 5.314 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N(Cc3ccccc3)Cc3ccco3)c2)s1 740483560 CASZRZWBXXPABE-UHFFFAOYSA-N 427.529 5.792 30 20 IKED N#C[C@@H](C(=O)Cc1c[nH]c2ccc(Cl)cc12)c1nc2cc(C(F)(F)F)ccc2s1 740531222 LVWNCZZGFJOWHM-AWEZNQCLSA-N 433.842 5.869 30 20 IKED C[C@H](OC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nnc(-c2ccccc2)o1 741819009 JRBJDGFADLCKLT-KRWDZBQOSA-N 441.512 5.819 30 20 IKED Cc1c(C(=O)/C=C\c2c(-c3ccccc3)nn(C)c2Cl)cnn1-c1ccc(C#N)cc1 741852120 JVYARIZIBVGDNB-SEYXRHQNSA-N 427.895 5.002 30 20 IKED Cc1ccc(CCN(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)Cc2ccco2)cc1 742219543 AYJTUZZZKAJULS-OAQYLSRUSA-N 429.545 5.119 30 20 IKED C=CCSc1ccccc1NC(=O)COC(=O)c1ccc(C2SCCCS2)cc1 742467310 WHQANUBNSGHNGW-UHFFFAOYSA-N 445.631 5.629 30 20 IKED N#Cc1cc(NC(=O)Nc2ccc3oc4ccccc4c3c2)ccc1N1CCC(O)CC1 743064526 MFEUCFCXGWODEN-UHFFFAOYSA-N 426.476 5.063 30 20 IKED COc1cc(COC(=O)[C@H]2CCSc3ccccc32)ccc1OCc1cccc(C#N)c1 745429275 MADBVZPTJYITED-QFIPXVFZSA-N 445.540 5.469 30 20 IKED CC(C)c1nc(C#N)c(NN=Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)o1 745612197 UDPKLFRWFYUICU-UHFFFAOYSA-N 442.306 5.675 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 747203543 ARRHQRUJFZXMCH-KPZWWZAWSA-N 433.386 5.088 30 20 IKED COc1ccc(-c2nc(S[C@H](Cc3ccccc3)c3ccccc3)nc(O)c2C#N)cc1 747615242 YRPXSKHLYNMGDS-HSZRJFAPSA-N 439.540 5.806 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(OCc4ccccn4)cc3)n2)cc1 752475715 FGAMPWWAFDFPPQ-QHCPKHFHSA-N 439.540 5.512 30 20 IKED C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 755607933 AOHCQYVUFHPDSW-QIENPNARSA-N 431.395 5.503 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1ccc(F)c(F)c1)c1nc(-c2c(F)cccc2F)cs1 756259826 YVHFZGANPIMPNK-GFCCVEGCSA-N 432.398 5.206 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)cc1 757830886 VDJFBKPMOWSCSM-JOCHJYFZSA-N 431.536 5.069 30 20 IKED Cc1ncsc1-c1nc(CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)no1 760454881 ISVKLPZGPAYEEN-UHFFFAOYSA-N 437.912 5.218 30 20 IKED CC#CCCSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1ccc(OC(F)F)cc1 764953927 IUNWEJFERXPLDX-HMMYKYKNSA-N 442.487 5.187 30 20 IKED C[C@@H](CC(F)(F)F)NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl 766921685 AEHLBVBTWFKHDT-QMMMGPOBSA-N 449.729 5.250 30 20 IKED C#C[C@H](C)N(C)C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 767262998 AGWPSMLVYZOZAP-HNNXBMFYSA-N 425.604 5.049 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)Nc1ccccc1O[C@H](C)C#N 767885071 WWZVBNYIJRXXQZ-MRXNPFEDSA-N 448.910 5.836 30 20 IKED C[C@H](OC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)Nc1ccccc1C(F)(F)F 769547497 UUJKGWJPSSQKTL-HNNXBMFYSA-N 443.425 5.148 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 777299645 GEMSBPDALZHRFX-KGLIPLIRSA-N 447.507 5.054 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1 780309554 LFIVGEIKJRJFBM-QHCPKHFHSA-N 435.483 5.180 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 780678040 KELWDVAMDYCJED-MEDUHNTESA-N 431.336 5.421 30 20 IKED COc1ccc([C@@H](NC(=O)Nc2ccccc2O[C@H](C)C#N)c2ccccc2Cl)cc1 780681861 QXKXIRJRIGDECK-WAIKUNEKSA-N 435.911 5.551 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NOCc1ccc(F)cc1Br 782039453 OGXDAZLQZHCPJT-GFCCVEGCSA-N 438.322 5.236 30 20 IKED CC[C@H](C#N)Oc1cc(CNCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)ccc1OC 785466610 QIILLCXRDUFMLU-LJQANCHMSA-N 444.457 5.075 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)cc1 792229668 SJQOOVDFAVMFSN-XMMPIXPASA-N 448.530 5.115 30 20 IKED C[C@@H](OC(=O)C[C@@H](CC#N)c1ccccc1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 795979560 CTQTYJJMSQHCFY-UYAOXDASSA-N 448.519 5.076 30 20 IKED CC(C)(C(=O)OCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1cc(F)cc(C#N)c1 803925258 WRTIKATUVRSYSF-UHFFFAOYSA-N 434.254 5.075 30 20 IKED CC[C@@H](C#N)Oc1cc(CNc2ccc(Br)c(C(F)(F)F)n2)ccc1OC 804456128 SPCNESYBGODXGM-LBPRGKRZSA-N 444.251 5.165 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)OC[C@H]1CC[C@@H](C#N)CC1 809089933 VWQPOQIQEWASOV-OKILXGFUSA-N 434.920 5.588 30 20 IKED COc1cc(/C=C/C(=O)c2cc(Br)cs2)cc(OC)c1OCC(F)F 809156210 FKQWUSCLXMFAFT-ONEGZZNKSA-N 433.270 5.068 30 20 IKED C[C@@H](OC(=O)c1c(F)cc(C(F)(F)F)cc1F)C(=O)Nc1ccccc1C(F)(F)F 811420106 PZYSUJGSWMECGQ-MRVPVSSYSA-N 441.274 5.186 30 20 IKED Cc1ccc([C@H](OC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c2cncn2C)cn1 816318966 JMTBBHBTZWWMCU-VWLOTQADSA-N 438.487 5.042 30 20 IKED CCN(CC)[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccsc1 915353494 NZJKHGXFHNCESW-DNQXCXABSA-N 432.593 5.608 30 20 IKED CCOc1cccc2cc([C@@H](C)NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)oc12 915353911 ZIUKSRHRZZPBLZ-JPYJTQIMSA-N 439.515 6.370 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(OCc3ccccn3)cc2)cc1 916681758 XVTVSWDSIMNZRU-MHZLTWQESA-N 448.526 5.638 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(-c2ccc(F)cc2)s1 916886735 JOIHRPPZHWKTHJ-MRXNPFEDSA-N 446.475 5.830 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc(Cl)cc(Cl)c1 916905099 MIUGJCXPQVVGGT-SFHVURJKSA-N 425.271 5.747 30 20 IKED N#C[C@@H](C(=O)CCc1ccc(-c2ccccc2)o1)C(=O)Nc1ccc(Cl)cc1Cl 916927509 LCQOGFSRMLWCIY-KRWDZBQOSA-N 427.287 5.534 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CSc3nccn3-c3ccccc3C)n2)cc1 916974778 PZILDQHENKJYCI-LJQANCHMSA-N 444.585 5.581 30 20 IKED CC(=O)N1CCc2ccccc2[C@H]1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916975140 AHYGVEKAMHREPO-RBBKRZOGSA-N 449.963 5.176 30 20 IKED CC(=NNC1=NC(=O)/C(=C/c2cnc(-c3ccccc3)nc2)S1)c1cccc2ccccc12 917623842 YKXMWTWPMBFVSF-VWPFHTGNSA-N 449.539 5.281 30 20 IKED CCCCCC[C@H](C)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 918240039 YNYFPXQAWSYSQZ-UWJYYQICSA-N 425.960 5.409 30 20 IKED C[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 918417811 WAVNIVYGHITMES-JTSKRJEESA-N 431.923 5.154 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1ccn(-c2ccccc2)n1 919915584 PVOGAKQIOOCGEW-UHFFFAOYSA-N 437.503 5.509 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Sc3ccccc3Cl)n2)cc1 920139376 SNUKKEDZYNRGOS-XJKSGUPXSA-N 428.966 5.829 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)c3sc(N4CCCC4)nc3Cl)c2)c1 920277040 VGCOSCJRXGTNCN-UHFFFAOYSA-N 438.940 5.100 30 20 IKED CCN(CC)[C@H](C/N=C/c1cc(Br)cc(Br)c1O)c1ccco1 921261021 KUDGNJMMRUXWCH-IXJMWADBSA-N 444.167 5.012 30 20 IKED N#Cc1cc(Br)cc(COC(=O)c2ccc(-c3cccc(Cl)c3)nc2O)c1 1270785959 JRVKMKGVOOZSKD-UHFFFAOYSA-N 443.684 5.099 30 20 IKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)nc1 1787483527 YGJZCSKJSJIAOL-LJQANCHMSA-N 438.531 5.079 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)/C=C\c3c[nH]c4ccccc34)C2)CC1 1806879427 SYOLIFJMUNHSLJ-GBJNBNQZSA-N 445.607 5.181 30 20 IKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)CCCCCC(C)(C)C)[C@H]2c2cccnc2)C1 1812804984 YKAWFPDFUXQCCB-ZJSXRUAMSA-N 425.617 5.050 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cc3ccccc3o2)n[nH]1 1818813110 HIACFZZGMSPVOR-OKSRHDDTSA-N 432.524 5.074 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3cccnc23)[nH]n1 1819305443 JEGXFDBEPCKORG-SIKLNZKXSA-N 443.551 5.032 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3ncccc3c2)[nH]n1 1819305508 KWMLQVAJPCDCOM-OFNKIYASSA-N 443.551 5.032 30 20 IKED CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)CCCC1 1823847975 OQKMUSGDISMEDZ-QFIPXVFZSA-N 442.003 5.025 30 20 IKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 1828456914 ZELFEBRZPSORFJ-GKMGCJOJSA-N 448.717 5.167 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)cc2Cl)CC1 1831446984 BFAPHRAJYRGNTR-HXUWFJFHSA-N 438.946 5.093 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H](C)c2ccccc2)CC1 1831509822 NZRODKBIVGTFLD-SIKLNZKXSA-N 432.555 5.011 30 20 IKED CCCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)nnc1-c1cccc(C)c1 21691917 PTDWEXIFMPZJPG-IBGZPJMESA-N 433.581 5.091 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)(C)C)cc1)=C(/S)NCCc1ccccc1 22735468 DBZYZTMCZTUMMG-UHFFFAOYSA-O 445.652 5.605 30 20 IKED N#CCC(=O)Nc1ccc(C(=O)OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 25512688 UCPOAGAHBIYSEZ-UHFFFAOYSA-N 445.422 5.038 30 20 IKED CC(=O)CCc1ccc(OCCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 58699199 TVGRPVUYIGYQQK-UHFFFAOYSA-N 442.515 5.588 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc(NC(=O)C(C)(C)C)cc1C 107806681 JQIXDRROQWHCRI-UHFFFAOYSA-N 448.548 5.661 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C 108899203 KXPASAMEFVHUMX-UHFFFAOYSA-N 431.521 5.263 30 20 IKED N#CCCCOc1cccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c1 117534471 RVNJMZPSIXZXGL-DEOSSOPVSA-N 426.472 5.076 30 20 IKED O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccs1)c1cccc(N2CCOC2=O)c1 207667885 URVJABSKMBDYRB-QXMHVHEDSA-N 441.512 5.454 30 20 IKED Cc1c(C#N)c(NC(=O)CCSc2ccc(C(F)(F)F)cn2)n(Cc2ccco2)c1C 248128734 XUNFOYOMJKHMKW-UHFFFAOYSA-N 448.470 5.153 30 20 IKED N#Cc1ccc(N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)c(C(F)(F)F)c1 301498319 CIKAAYGSTYDCID-CYBMUJFWSA-N 439.363 5.023 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(F)ccc1Br 302955674 FOHRCSKEDIXMRX-UHFFFAOYSA-N 425.257 5.813 30 20 IKED Cc1ccccc1COc1cccc(CC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 303337356 YDKSLILZPPLZRM-UHFFFAOYSA-N 440.543 5.058 30 20 IKED CC(C)(Cc1nc2ccccc2[nH]1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 409470241 NANHURFRRUJVPK-UHFFFAOYSA-N 438.531 5.415 30 20 IKED Cc1nc(CSc2ccc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)cc2)cs1 430592185 LXKHLDCVKKVOLJ-KRWDZBQOSA-N 427.620 5.988 30 20 IKED C=CCC[C@H](NC(=O)N1CCC(c2nc(-c3ccccc3OC)no2)CC1)c1ccccc1 432885967 NJNACCSMOWXXFY-QFIPXVFZSA-N 446.551 5.342 30 20 IKED Cc1csc(C2(NC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CCC2)n1 435134578 YDXCVLMONKGQRK-UHFFFAOYSA-N 436.512 5.242 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)cc1F 437463150 YUAJUOAXSBHMNR-UHFFFAOYSA-N 447.853 5.979 30 20 IKED CCOc1cc(CN(C)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)ccc1OC(F)F 438645207 XVZCQVQSYTZHAR-UHFFFAOYSA-N 443.372 5.241 30 20 IKED CCn1ncc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C(F)(F)F 439899967 KPQFGGFQSMJHKV-CQSZACIVSA-N 427.430 5.343 30 20 IKED CC(C)(C)c1ccc(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)o2)cc1 442858299 RRWLRFSZHICTTN-LJQANCHMSA-N 427.529 6.253 30 20 IKED Fc1cc(NCc2nc(C(F)(F)F)cs2)ccc1Oc1ccc(C(F)(F)F)cn1 443457886 XWGVIQUYEFMCPA-UHFFFAOYSA-N 437.340 6.119 30 20 IKED CSCC[C@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1nnc2ccccn12 444684467 KBZANIAWZYQYEB-QHCPKHFHSA-N 441.604 5.013 30 20 IKED Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)c1cccc(CC#N)c1 460329630 FVUGGPPWQHLYIF-UHFFFAOYSA-N 426.495 6.050 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)cc1Cl 462919142 NFLADKACXVXWMZ-GBXCKJPGSA-N 432.907 5.654 30 20 IKED CCOc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c2ncccc12 464324216 ADQYFAMZHFNHTF-UHFFFAOYSA-N 439.519 5.280 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1cc(F)ccc1F)c1ccccc1Cl 466228176 RCVHSTQZLWXRLC-JOCHJYFZSA-N 425.866 5.421 30 20 IKED N#CCCCOc1cccnc1NC(=O)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 466620251 ZRQOJHCBHRLNKB-GOSISDBHSA-N 432.446 5.542 30 20 IKED C[C@@H]1C[C@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CN1Cc1ccccc1 467694253 FHDVAKXDEPMJIM-YKSBVNFPSA-N 441.600 5.243 30 20 IKED C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4ccc5c(c4)CCC(=O)N5CCCC#N)cc3c2C1 470852810 SGDIZKUVQVPCBZ-QGZVFWFLSA-N 440.547 5.128 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3ccc(F)cc3-c3ccc(F)cc3)C2)n1 471868817 IHIJOSSRJLCGNT-IBGZPJMESA-N 432.474 5.062 30 20 IKED Cc1ccc2nc(COc3ccccc3C(=O)[C@H](C#N)c3nc(C(C)C)cs3)cn2c1 474446168 NYCSQFRPPUTQNA-IBGZPJMESA-N 430.533 5.292 30 20 IKED C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)c1 475157498 RAZAKDDJEYSLSO-UHFFFAOYSA-N 442.302 5.197 30 20 IKED C[C@@H](SCC(=O)Nc1cccc(C#N)c1)c1nc(-c2cccc(C(F)(F)F)c2)no1 476197659 NYCHICGXRNTQNS-GFCCVEGCSA-N 432.427 5.060 30 20 IKED COCC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(C)o1 477487826 WFECYXXYKBHTCR-NRFANRHFSA-N 437.471 5.077 30 20 IKED C=C(C)Cn1c(SCc2csc(-c3ccc4c(c3)OCO4)n2)nnc1-c1ccncc1 481377374 UWSAOGSLYQDJPR-UHFFFAOYSA-N 449.561 5.061 30 20 IKED COc1ccccc1OCC(=O)Nc1cccc(N[C@H]2CCCCc3cc(C#N)ccc32)c1 482001154 MESIGZDKEQNDNK-DEOSSOPVSA-N 441.531 5.464 30 20 IKED N#CC[C@@H](CC(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1Cl)c1ccccc1 483167309 ILXWXYSWSAGJBI-SFHVURJKSA-N 433.943 5.351 30 20 IKED C=CCn1c(S[C@@H](CC)C(=O)c2ccc(NC(C)=O)cc2)nnc1-c1cccc(C)c1 484725531 GIOJEGFYXPGDBC-NRFANRHFSA-N 434.565 5.152 30 20 IKED CCCC(=O)Nc1ccc(Cl)c(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c1 486889878 BQHCLJOSWDBNBF-UHFFFAOYSA-N 426.948 5.640 30 20 IKED Cc1nc(-c2cccc(NC(=O)CSc3nc(C(F)(F)F)ccc3C#N)c2)cs1 488770251 UQNXOXXVBVEZGM-UHFFFAOYSA-N 434.468 5.135 30 20 IKED C=CCn1c(SCCCC(=O)c2ccc(Br)cc2)nnc1-c1ccccn1 488936186 SQOBGWDUBAUCLK-UHFFFAOYSA-N 443.370 5.044 30 20 IKED C=CCOc1ccc(-c2nnc(SCc3coc(-c4cccc(Cl)c4)n3)o2)cc1 489789547 SUSCGZUZLXGPKZ-UHFFFAOYSA-N 425.897 5.902 30 20 IKED C[C@@H]1CCC[C@@H](OCc2cccc(N[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)c2)C1 495669771 PEOLEDINWGMINO-MBOZVWFJSA-N 437.609 5.643 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3OCCC(F)(F)F)o2)cc1 500244208 GTLXCTMMDZMKRR-UHFFFAOYSA-N 448.372 5.453 30 20 IKED Cc1nc(COc2cccc(C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)c2)cs1 501125330 IJZPLUTYUGRORV-UHFFFAOYSA-N 432.530 5.278 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H](c4nc5ccc(F)cc5o4)C3)cc2)nc1 502147944 RWWYKIPRIDLYNM-SFHVURJKSA-N 442.450 5.046 30 20 IKED CCCCCn1cc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(C)n1 504325877 WDFMXOZGCNELNK-UHFFFAOYSA-N 432.593 5.476 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[C@@H](C2CCOCC2)C1 508800789 HSLDDBNKLIWVFF-AUSIDOKSSA-N 432.568 5.010 30 20 IKED C=CCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 508809947 NRFPMSFSTKEPPX-OAHLLOKOSA-N 433.503 5.299 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCO[C@@H](c2ccsc2)C1 508843308 CAMNDUMDCMPXQW-WZONZLPQSA-N 446.576 5.397 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N[C@@H](C[C@@H]3CCOC3)c3ccccc3)c2)c1 510053678 FKWMLDDGLOWGMY-NVQXNPDNSA-N 426.516 5.035 30 20 IKED COc1ccc(CN(C)Cc2c(C)nn(-c3ccccc3C)c2C)cc1OCCCC#N 511840541 ZEBIXVPWQKNZRU-UHFFFAOYSA-N 432.568 5.121 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 512506425 LNKVTKAFGFTTPF-UHFFFAOYSA-N 437.613 5.492 30 20 IKED Cc1ccc(OCCCC(=O)Nc2ccc(CN[C@@H](C)c3ccc(C#N)cc3F)cc2)cc1 512660159 LLKWLGFVHZCWED-FQEVSTJZSA-N 445.538 5.654 30 20 IKED Cc1cccc(OCCCCC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 512793337 RFFMYDFZPKSADF-UHFFFAOYSA-N 427.504 5.307 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OC 515539568 YEPHGQBNRQWOBL-ZDUSSCGKSA-N 435.332 5.891 30 20 IKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 517491855 FLROBSOTPWEPTG-INIZCTEOSA-N 434.323 5.483 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 518753737 ZSZFHEHWSFRRKR-LIRRHRJNSA-N 434.392 6.757 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 519515732 UAFYTZKGKJAXLJ-SJORKVTESA-N 438.553 5.478 30 20 IKED CN1CCC(C#N)(NC(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)CC1 520991763 FONSDIPMIWWQPD-UHFFFAOYSA-N 434.392 5.003 30 20 IKED C=C1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC(C)C)CC1 521754857 NGGRKHVFMARCBX-UHFFFAOYSA-N 439.412 5.179 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C 522427826 LMONYYFDDQYEDB-GBXCKJPGSA-N 425.532 5.856 30 20 IKED Cc1nc(-c2cnn(C)c2)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 522479516 CMYQYNCLVGGGEI-HNNXBMFYSA-N 439.953 5.119 30 20 IKED COc1ccc(C[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)c2ccccc2)cc1OC 523755067 UUUQJNXYXOGFGI-GOSISDBHSA-N 427.426 5.385 30 20 IKED CCN(CC)C(=O)[C@@H](Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1ccccc1 523853850 XMLSGJYIBHFIIN-VWLOTQADSA-N 429.520 5.381 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)cc1 524084429 LACFAUIAYGUFPS-FQEVSTJZSA-N 445.494 5.595 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 524831579 AKIXKOSVPPEOPX-DOTOQJQBSA-N 428.533 5.312 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](c3ccc(C(C)C)cc3)c3cccs3)CC2)o1 530468105 BDUQKWKALJRLMF-HSZRJFAPSA-N 448.592 5.162 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cnc([C@H]2CCCO2)s1 534078605 FWXNGKLWEYPIHL-CYBMUJFWSA-N 427.473 5.271 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1ccc([S@@](C)=O)cc1 534476561 XDJYSBJYUDGERO-AUMHUTNHSA-N 433.533 5.279 30 20 IKED C[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1cccc(NC(=O)Cc2ccccc2F)c1 538537636 QVTDRFVYKBTSBW-SFHVURJKSA-N 441.506 5.053 30 20 IKED CCCN1C(=O)CCc2cc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)ccc21 539151149 ASUIJLWPBMRSSZ-UHFFFAOYSA-N 439.515 5.079 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)C2CC2)cc1 541451145 LNQFCLCDFUJJBQ-UHFFFAOYSA-N 442.494 5.075 30 20 IKED CC[C@H](N[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)c1nc(C(F)(F)F)cs1 541636873 HTIBEBNWRUFOCJ-WBVHZDCISA-N 438.519 5.155 30 20 IKED CN(C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 542635639 LGJCRGSMGQRNPQ-WIOPSUGQSA-N 445.494 5.874 30 20 IKED C[C@@H](NC(=O)CCC(=O)CCC(=O)c1cccs1)c1ccc(-c2cccc(C#N)c2)cc1 543031165 HMUWWTLKMWNHRD-GOSISDBHSA-N 444.556 5.476 30 20 IKED C[C@H](Nc1ccc(F)c(N2C(=O)CCC2=O)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 552323923 WBMNXHHOPNGMQK-JTQLQIEISA-N 448.338 5.690 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c(C)c1 554182189 MIEVDLYZEJSSNP-KRWDZBQOSA-N 441.572 5.972 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)Nc2cccc(Sc3ccc(Cl)cc3)c2)CC1 554578075 UDJZRRCGDSPOGE-UHFFFAOYSA-N 448.979 5.975 30 20 IKED CC(C)[C@H](c1ccc(Cl)cc1)c1noc(CCC(=O)N(CCC#N)c2ccccc2)n1 576265301 HLFXXJYHCYPWAG-HSZRJFAPSA-N 436.943 5.390 30 20 IKED N#Cc1cc(NC(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)ccc1Oc1ccccc1 577914927 JYJTXOSQUGZXDR-OAQYLSRUSA-N 443.507 5.760 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)o1 603948017 XEDLGUAMWLORSG-UHFFFAOYSA-N 437.427 5.384 30 20 IKED CN1CCC[C@@H](CNC(=O)c2cc(F)c(F)c(F)c2F)[C@H]1c1ccc(C(F)(F)F)cc1 605104181 WULWBCLHZPMZJA-HXPMCKFVSA-N 448.382 5.075 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1(c2cccc(F)c2)CCOCC1 609060758 MHSDRMPZYJOSOK-UHFFFAOYSA-N 444.506 5.272 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C 609061678 UDDYFSBURTUJRZ-UHFFFAOYSA-N 440.478 5.331 30 20 IKED N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1 609094328 HZPGCGAIQCAEFV-QGZVFWFLSA-N 430.489 5.142 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)NCc2ccc(C#N)cc2F)c(C(F)(F)F)c1 609252149 CXFKAGKZWDLLAZ-LBPRGKRZSA-N 425.451 5.928 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(CCc1ccccc1)Cc1ccncc1 609398353 WILFXCVTFJUAPX-FQEVSTJZSA-N 430.577 5.610 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](COc1ccccc1)c1ccccc1 609401909 JVFBQTPENGBUMN-AUSIDOKSSA-N 431.561 5.880 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(C(=O)NC4CCCCC4)CC3)cc2)c1 609434316 TXQFBTPUMYRHLL-UHFFFAOYSA-N 446.551 5.043 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)c1 609520546 ROGYAJCPHOVRKQ-UHFFFAOYSA-N 434.540 5.154 30 20 IKED CCc1c(C)sc2nc(S[C@H](C#N)C3CCCCC3)n(C[C@H]3CCCO3)c(=O)c12 609648500 NOGJEBSYPUYSBP-SJLPKXTDSA-N 431.627 5.072 30 20 IKED C[C@@H](NC(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1)c1cccc(C#N)c1 610360051 QNPQKZWKPRKVPS-WXTAPIANSA-N 425.557 5.546 30 20 IKED COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)N[C@@H](CCC#N)c2ccccc2)cc1 610987230 BDKXVFCAHJOWQS-SANMLTNESA-N 443.547 5.461 30 20 IKED CC(=O)c1ccc(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)o2)cc1 613318974 LCJOQKHSKKIKBO-LJQANCHMSA-N 446.915 6.416 30 20 IKED CCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cnn1C(C)(C)C 613344552 JEHGROZBRBDKJC-CQSZACIVSA-N 447.391 6.121 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C 615080590 JOHOJXUYZXFMKJ-UHFFFAOYSA-N 438.524 5.285 30 20 IKED C=CCN(C(=O)c1ccc2nc(O)oc2c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 619566655 IVNMLFKNBKONHE-UHFFFAOYSA-N 446.315 5.797 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCC(c2nc3ccccc3[nH]2)CC1 642480306 KAPLXKWEMKYXMO-UHFFFAOYSA-N 426.545 5.436 30 20 IKED COc1ccc([C@H](C)NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F 642663848 ATAILXWEBDXIGN-DLOVCJGASA-N 430.364 5.104 30 20 IKED CCOc1ccc(C(F)(F)F)cc1NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674561724 XXJNIDINHSJOEJ-UWVGGRQHSA-N 438.290 5.309 30 20 IKED CCSc1cccc(F)c1NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 685699237 MHAVONJBVSWLFQ-NXEZZACHSA-N 432.405 5.969 30 20 IKED COc1ccc(-c2cc(C(=O)N(C)c3ccc(C#N)cc3F)c3ccccc3n2)cc1OC 726368848 QZXMNJLUUYVNDT-UHFFFAOYSA-N 441.462 5.206 30 20 IKED CCOC(=O)c1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1 727980451 MBEPVAAJWNNRTB-UHFFFAOYSA-N 431.517 5.123 30 20 IKED CCOc1c(OC)cc(/C=C/C(=O)c2sc(-c3ccccc3F)nc2C)cc1OC 728441427 JSXAXXBWWOXASF-ZHACJKMWSA-N 427.497 5.570 30 20 IKED CC(=O)N(c1nc(/C=C2\Oc3ccc(Cl)cc3C2=O)cs1)c1ccc(F)cc1F 729150527 JBVUTQFWYAKQJK-LSCVHKIXSA-N 432.835 5.376 30 20 IKED Cc1cc(C(=O)COC(=O)c2cc3ccccc3n2CC#N)c(C)n1[C@@H](C)c1ccccc1 729766243 DONSXCNKTICART-IBGZPJMESA-N 439.515 5.232 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2cc(Br)cs2)cc1 730685655 BAHNGZJAORCBBO-UGSOOPFHSA-N 433.371 5.304 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2nc3cc(Cl)ccc3s2)cc1 730688206 UPHOXMYXLWYHQP-KBXCAEBGSA-N 439.968 5.743 30 20 IKED Cc1ccc(C)c(-n2nc(C)c(/C=C/C(=O)c3ccc(C(F)(F)F)nc3O)c2Cl)c1 731564650 NPELORORSSOJKY-SOFGYWHQSA-N 435.833 5.466 30 20 IKED CCOc1c(OC)cc(/C=C/C(=O)c2cnn(-c3cccc(Cl)c3)c2C)cc1OC 731564814 AFVBIYPFGMLZAE-MDZDMXLPSA-N 426.900 5.146 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)c1 734229556 MFVBYODVFRFFRH-DEOSSOPVSA-N 445.478 5.252 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)C(C)(C)c1cccc(Cl)c1 736916819 JXJQBZQAEPWFDG-OAHLLOKOSA-N 430.957 5.051 30 20 IKED C[C@@H]1COCCN1c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 737726636 YZGGZVXYFORCSD-GOSISDBHSA-N 429.545 5.187 30 20 IKED N#CCN(Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccccc2)c1=S)C1CCCC1 738256222 JNFXTOYVACSDMG-UHFFFAOYSA-N 438.000 5.508 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2C[C@H](C)C[C@@H]2c2cccc(F)c2)c1=S 742176263 SDHLADUITWAEDN-DYESRHJHSA-N 438.572 5.455 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(Sc2ccccc2C#N)cc1 749023492 PAJDVFBSNOLPBX-NRFANRHFSA-N 435.508 5.705 30 20 IKED COc1ccc([C@@H](C)CC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 750683475 FBYZYKAECCTDEZ-PGRDOPGGSA-N 428.488 5.329 30 20 IKED Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C/c1ccc2c(c1)nnn2C 751033496 ZXVZPWZUXAOFGR-CSKARUKUSA-N 439.338 5.059 30 20 IKED Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)n1 751423782 RDDHTPFOPILOCH-UHFFFAOYSA-N 449.558 5.215 30 20 IKED CN1C(=O)CCc2cc(C(=O)/C=C/c3ccc(Br)c(Br)c3)ccc21 754690468 XJKJKGNCQLPSLG-FPYGCLRLSA-N 449.142 5.017 30 20 IKED C#Cc1cccc(N(CC)Cc2csc(N(C(C)=O)c3ccc(Cl)c(Cl)c3)n2)c1 756588957 HHGJJUQUEPGEPY-UHFFFAOYSA-N 444.387 6.142 30 20 IKED N#CCOc1cccc(CC(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)c1 761147418 YDDQIZLRHAZIMI-UHFFFAOYSA-N 434.883 5.068 30 20 IKED Cc1nccn1-c1ccc(-c2noc(-c3ccc(Oc4cccc(F)c4C#N)cc3)n2)cn1 761911638 OAPJKVSHPOKGCY-UHFFFAOYSA-N 438.422 5.096 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@H](C)c1nnc(-c2cccc(C)c2)o1 765334493 RDYKHCFWJOMGOD-QGZVFWFLSA-N 433.537 5.255 30 20 IKED C=CC[C@@H](N[C@H]1CCCc2nc(-c3ccc(Br)cc3)sc21)c1ccncc1 766021840 VCUBGVNKMZGINC-MOPGFXCFSA-N 440.410 6.252 30 20 IKED N#Cc1ccc(CNC(=O)N[C@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)nc1 780428887 VLPBLUOINLLQKB-OAQYLSRUSA-N 443.309 5.182 30 20 IKED N#Cc1ccc(CNC(=O)N(Cc2ccc(-c3ccccc3C(F)(F)F)o2)C2CC2)nc1 780651138 NQIHPVOXODMALJ-UHFFFAOYSA-N 440.425 5.106 30 20 IKED C[C@@H](OC(=O)c1occc1COc1cccc(C#N)c1)c1nnc(-c2ccccc2F)s1 783389020 NBIDMNPEXRUMCW-CQSZACIVSA-N 449.463 5.306 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)CCCCC(=O)c1ccccc1)c1ccc(Cl)cc1Cl 787046288 QBAWHVVNNJYSPB-KXBFYZLASA-N 445.346 5.323 30 20 IKED COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2S[C@@H]2CC[C@H](C#N)C2)cc1Cl 788097215 IAHDGPOJAABFIN-REUKGHOCSA-N 443.981 5.579 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)/C=C/c3cn(CCC#N)nc3-c3ccncc3)s2)cc1 788355881 PYDBQASVOQCYNN-CMDGGOBGSA-N 439.544 5.495 30 20 IKED C=CCn1c(-c2ccccc2C)nn(CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1=S 795693702 MCPRSZUBQRXIHI-TZRRMPRUSA-N 446.620 5.038 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)O[C@@H](C)c2ccc(C(F)(F)F)cn2)c1C(F)F 798676531 QVRYXPORJCUDQQ-ZETCQYMHSA-N 431.283 5.191 30 20 IKED CC(C)(C(=O)OCCCSCC#N)c1csc(-c2c(Cl)cccc2Cl)n1 805572003 UNAFDFLBLJGCAF-UHFFFAOYSA-N 429.394 5.585 30 20 IKED CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)N[C@H](CCCC#N)c2ccccc2)C1 814638906 VKODFYQEOOEJHL-JOCHJYFZSA-N 448.567 5.536 30 20 IKED COc1ccc(-c2nc(SCc3sc4ccccc4c3Cl)nc(O)c2C#N)cc1 824964135 LSRMTKCAFBSVQQ-UHFFFAOYSA-N 439.949 5.890 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)nnc1-c1cccc(C)c1 855522249 SVUJBSIFOQJOJO-IBGZPJMESA-N 447.608 5.159 30 20 IKED COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)[C@@H](C#N)c5nc6ccccc6o5)(C4)C2)C3)cc1 915104484 CBUBQIUDNQNCEA-XXJVCPFVSA-N 426.516 5.551 30 20 IKED Cc1ccc(-n2ncc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2C(C)C)cc1 915180288 NIFVTVGPWQFGOU-RUZDIDTESA-N 434.543 6.212 30 20 IKED CCOc1ccc(NC(=O)COc2ccc(/C=C\C(=O)c3ccc(F)cc3)cc2OC)cc1 916135784 SSFFRDAEKMSCOS-CPSFFCFKSA-N 449.478 5.147 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3sc(C)nc3-c3ccc(C)cc3)n2)cc1 916628090 LJOZQDPWJHEEPV-FQEVSTJZSA-N 443.597 6.278 30 20 IKED N#C[C@H](C(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1cccc2ccccc12 916917605 HUHMVDVJICIABP-CQSZACIVSA-N 447.705 5.526 30 20 IKED Cc1nc(Cc2ccccc2)sc1C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12 916917643 FCMQBQZMAYLPBH-FQEVSTJZSA-N 425.513 5.157 30 20 IKED Cc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916995741 GYSQJKLOIGJDHT-KRWDZBQOSA-N 443.355 6.265 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN(Cc2ccc(Cl)c(Cl)c2)C(C)C)c1=S 917483483 SBEXJYKMDNCMPF-UHFFFAOYSA-N 448.423 5.837 30 20 IKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2cccs2)C(=O)N[C@@H]1c1ccc2c(c1)CCO2 917961501 HFFZSSVSVXUKHD-HSZRJFAPSA-N 448.519 5.089 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 918040778 YDUAHZQMPBCURT-UHFFFAOYSA-N 435.568 5.320 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccccc3Cc3ccccc3)n2)cc1 920140091 BORVXWOYZRCJHF-HSZRJFAPSA-N 449.535 5.528 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2ccccc2SCc2ccco2)cc1 927650336 XFIFIQNSENLYDC-LJQANCHMSA-N 448.544 5.373 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3cc4ccccc4n3C)cc2)CCC1 1786032079 FZCGANWGJMNXRS-IBGZPJMESA-N 429.564 5.067 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5sccc5[nH]4)cc3)CCC2)c1 1789370323 SKWCRBLVADNFFP-UHFFFAOYSA-N 440.528 5.163 30 20 IKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/C4CCCC4)CCC3)cc2)cc1 1790707031 BNKHIJQOSHMJDK-OVCLIPMQSA-N 427.548 5.247 30 20 IKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(F)c(F)c4)CCC3)cc2)c1 1790764627 BTVKSWDQRFZVFR-UHFFFAOYSA-N 449.432 5.037 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3cc4ccccc4n3C)CCC2)cc1 1791244117 MJTNQYPUKJRQQJ-IBGZPJMESA-N 429.564 5.067 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cccc(F)c3s1)C2 1798334031 SQKWPCRKVGQBAO-FCGDIQPGSA-N 426.557 5.061 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)[C@H](C)Sc3ccccc3)C2)CC1 1805855047 HNTNHRDUQVUACV-JTHBVZDNSA-N 440.653 5.167 30 20 IKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)[nH]n1 1821923974 UINRXCKTWPXFES-SCLBCKFNSA-N 435.355 5.235 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)cc(Cl)c2)n[nH]1 1823205802 CBZQXWDEVNGXSR-HXUWFJFHSA-N 444.938 5.277 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1 1824872639 KWTLMJUKHTVQTG-PMACEKPBSA-N 428.539 5.107 30 20 IKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 1824958723 CEULQRGMGYAICH-GNLZIIPMSA-N 446.701 5.132 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(C(C)(C)C)c2)CC1 1825439824 VVXSIIQUWZKISB-DHIUTWEWSA-N 439.644 5.314 30 20 IKED Cc1cc(Cl)ccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1 1830011617 XYGKQRHEJFMOBF-DEOSSOPVSA-N 449.982 5.067 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)c(Cl)c2)CC1 1832024648 AZUAVTUMWYJQEB-HSZRJFAPSA-N 429.004 5.075 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc([N+](=O)[O-])cc1)=C(/S)Nc1ccc(C)cc1C 10168398 AFNITQDVMBVVSN-UHFFFAOYSA-O 434.541 5.112 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(C)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 22729107 AYBGABNFMVGBPX-UHFFFAOYSA-O 447.624 6.030 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2)[n+]2ccc(C(C)(C)C)cc2)cc1C 28778662 WPWRASVAPOBEJH-UHFFFAOYSA-O 435.588 6.078 30 20 IKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(C)c([N+](=O)[O-])c2)[n+]2cccc(C)c2)c1 28811038 REWOEDQQKBWGRQ-UHFFFAOYSA-O 434.541 5.112 30 20 IKED CCCCc1ccc([C@@H](NC(=O)c2cc(C#N)c(SC)nc2O)c2cccs2)cc1 31892901 XYIOAHXBUACVOZ-HXUWFJFHSA-N 437.590 5.304 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C(=O)NC1CCCCCC1)C(C)C 32785473 DOYMPSWRIIJSJT-QFIPXVFZSA-N 426.630 5.011 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccccc1OC[C@H]1CCCCO1 60033830 NCMCLOFKNJILHI-HXUWFJFHSA-N 444.556 5.910 30 20 IKED CC(C)NC(=O)c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 64300484 PTZWAEUTFYFUSZ-UHFFFAOYSA-N 429.545 5.241 30 20 IKED Cc1nc(-c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)oc1C 64302876 FFLHXKSPXAJPIS-UHFFFAOYSA-N 439.540 6.375 30 20 IKED C=CCN(C(=O)CCCn1cccn1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 64869668 VMBWYDHSEBNVCN-UHFFFAOYSA-N 428.561 5.673 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Cn3cccn3)cc2)cc1Cl 107875667 YBZJKQWIZBXBDB-QHCPKHFHSA-N 426.907 5.493 30 20 IKED C=CCOc1ccc(CN[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1Cl 237468887 KTOLHVAWWFBDSL-DEOSSOPVSA-N 441.980 5.188 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1cccc(Cl)c1 255938985 SYAOPSWBZNLWBL-MRXNPFEDSA-N 449.963 5.433 30 20 IKED C=CCN1CCC(NC(=O)c2oc3ccccc3c2CSc2ccccc2Cl)CC1 303311535 SFAOQQSGGVEQAW-UHFFFAOYSA-N 440.996 5.759 30 20 IKED Cc1cnn(-c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2F)c1 303752198 IERUODOSLPPYSL-UHFFFAOYSA-N 428.492 5.595 30 20 IKED Cc1c(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)sc2ccc(C#N)cc12 428053044 ITGOMNGZYHTQCM-UHFFFAOYSA-N 435.892 5.832 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N(CCc1ccccn1)Cc1cccnc1 432093311 JVLSNGFXUXBMFC-LJQANCHMSA-N 431.565 5.005 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nnn1CC1CCCC1 434614853 BFKQSVDGAJSIOZ-KRWDZBQOSA-N 425.945 5.044 30 20 IKED CC(C)CC[C@@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccc(Cl)cc1 434792379 DLLAQDPKVPOMDO-LJQANCHMSA-N 428.964 5.000 30 20 IKED C=CCC[C@@H](NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 435276805 HHVDNOOMONANSS-JOCHJYFZSA-N 444.497 5.381 30 20 IKED CN(C(=O)C1CCC(C(F)(F)F)CC1)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 436024173 YDMPIBPRKWTGNO-MMWSSPAHSA-N 435.330 6.136 30 20 IKED COc1ccc(-n2c(SCc3ccc(C#N)cc3Cl)nnc2-c2ccncc2)cc1 438808202 FWHNXYSTNJLIMN-UHFFFAOYSA-N 433.924 5.155 30 20 IKED CCCc1c(N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cnn1-c1cccc(C#N)c1 439063308 FXKHSWJWLLVNOX-KRWDZBQOSA-N 428.540 5.153 30 20 IKED CN(C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@H](c1ccc(Cl)cc1)C1CCCC1 440241933 LBGWQBOFRUKMIQ-NRFANRHFSA-N 440.975 5.097 30 20 IKED N#Cc1cc(NC(=O)N(CCc2ccccc2)Cc2cccnc2)ccc1OC(F)(F)F 442218953 VFLDXQZVNFBXBW-UHFFFAOYSA-N 440.425 5.129 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(CO)(Cc4ccccc4)CC3)c2)cc1 444893350 DZSAVOLFSJNBND-UHFFFAOYSA-N 441.531 5.200 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1noc(C2CCCCC2)n1 448055515 VVSQWIRTTWKINV-UHFFFAOYSA-N 445.976 5.420 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C[C@@H](C)C(=O)c1cccc(F)c1 468833411 DHTAXIMLTXQJQX-GOSISDBHSA-N 432.470 5.587 30 20 IKED C=CC[C@@H]1N(C(=O)CCc2nc(-c3cc(Br)cs3)no2)CCCC1(C)C 470309136 RBMXSAFERCXXLV-HNNXBMFYSA-N 438.391 5.087 30 20 IKED N#Cc1ccc(-c2nnc(CNc3ccc(-c4csc(C(F)(F)F)n4)cc3)o2)cc1 480161407 ISTMOCHLHMZLAT-UHFFFAOYSA-N 427.411 5.363 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)Nc1cccc(C)c1C 481350757 RAEXLPCSWYDUSU-IBGZPJMESA-N 436.581 5.088 30 20 IKED CO[C@H](c1ccccc1Cl)[C@@H](C)NCC(=O)Nc1ccccc1S[C@@H](C)CC#N 481394874 XROCNUPOTOCQBJ-DMPWYTOCSA-N 431.989 5.039 30 20 IKED Cc1c[nH]nc1NC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 481441191 LRTYHENJXWYUPR-JTQLQIEISA-N 434.262 5.181 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(F)c(F)c3)n2)nnc1-c1ccccc1F 483240855 OQEXISYTIFERKL-UHFFFAOYSA-N 428.439 5.496 30 20 IKED C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 483318885 DBEWGOCCGIAPRD-KRWDZBQOSA-N 433.483 5.077 30 20 IKED C[C@H](NC(=O)NCc1cc(COC(C)(C)C)on1)c1ccc(-c2cccc(C#N)c2)cc1 486313496 BTSGCKRAAHAGFS-KRWDZBQOSA-N 432.524 5.089 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(F)cc(Br)c3F)cc2)nc1 489375335 OVYIWLKDNTYEHY-UHFFFAOYSA-N 430.208 5.039 30 20 IKED C=CCn1c(SCC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nnc1-c1cccs1 489410108 UDCQRHOETHQRRH-UHFFFAOYSA-N 440.594 5.152 30 20 IKED CCn1c(COc2ccc(C)cc2)nnc1SCc1cc(C#N)ccc1Br 491580597 CXCAZDVJYAPDLQ-UHFFFAOYSA-N 443.370 5.112 30 20 IKED C[S@@](=O)c1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1F 495333844 NVMRJOYBQMITOY-GDLZYMKVSA-N 428.872 5.133 30 20 IKED CC[C@H](C)n1c(S[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nnc1-c1ccccc1 504320888 KHXHMHSBSYJLLU-GIIQAUJJSA-N 439.629 5.328 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 504842676 LEKRSUGFBHGCBL-UHFFFAOYSA-N 430.474 5.126 30 20 IKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1cc(C#N)ccc1Cl)CC2 505937549 GVFNQTSQJPHGEL-QFIPXVFZSA-N 438.936 5.078 30 20 IKED CC(C)c1ccc(-c2noc(CCC(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)n2)cc1 505965151 HAWAKRLAZSJUBG-IBGZPJMESA-N 442.441 5.192 30 20 IKED N#CC1(CCCSCc2csc(-c3ccc(Br)cc3)n2)CCOCC1 507694844 NPYFPCRWKTXLRD-UHFFFAOYSA-N 437.428 5.906 30 20 IKED Cc1nc(SCC(=O)Nc2c(O)c(Cl)cc(Cl)c2Cl)c(C#N)c(C)c1C 509496737 YLJQGKRPUFUCFZ-UHFFFAOYSA-N 430.744 5.275 30 20 IKED O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1cccc(-c2noc(C(F)(F)F)n2)c1 509626488 RZVXUTCZUBSWEE-UHFFFAOYSA-N 449.282 5.088 30 20 IKED CC(=O)N[C@H](CC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(Cl)cc1 509669095 VZOTUDRINPWICJ-JOCHJYFZSA-N 433.895 5.210 30 20 IKED N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1c(Cl)cc(Cl)cc1Cl 510218869 VWIPJRYKEUHBOM-UHFFFAOYSA-N 448.762 6.311 30 20 IKED C[C@H]1C[C@@H](CCNC(=O)Nc2ccccc2S[C@H](C)CC#N)CN1Cc1ccccc1 510844350 QVSFPLCSFDPEPG-TUNNFDKTSA-N 436.625 5.503 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1n[nH]c(/C=C/c2ccccc2)n1 517449144 PINHPISGQBTZEE-LPQFERQCSA-N 435.578 5.100 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1cccc(Br)c1)C1CC1 517473076 IFTAFWLDUWKILG-HNNXBMFYSA-N 444.398 5.897 30 20 IKED COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 517934418 SCKQBFFCFYCNBV-MSOLQXFVSA-N 445.519 5.046 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCc2c(Br)cccc21 520195517 AZDLZJOTYALWOQ-SUMWQHHRSA-N 430.371 5.652 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1 521208488 XILFOZGYTKMTRT-INIZCTEOSA-N 446.378 6.033 30 20 IKED COc1ccc([C@H](NC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccc(C)cc2)cc1 521257657 JSYIWGJQTCIKCH-UQBPGWFLSA-N 445.588 6.167 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 521418384 LWRHZOMJVJAAIG-UHFFFAOYSA-N 437.437 5.418 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(-c2nc(CC(=O)NC3CCCCC3)no2)c1 522574432 XFKHPMAQOPGUII-UHFFFAOYSA-N 436.899 5.045 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(CSc4nc[nH]n4)cc3)c2)cc1 524594728 UVSYTKHBGXEIKE-UHFFFAOYSA-N 427.489 5.013 30 20 IKED N#C[C@@H](C(=O)c1ccnc(-n2cccn2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 524809864 GGGHSBJCZJQXHK-HNNXBMFYSA-N 440.315 5.188 30 20 IKED N#C[C@H](C(=O)c1cc(-c2cccnc2)nc2ccccc12)c1nc2cc(Cl)ccc2s1 533953874 HZKPNHFRONIYAU-GOSISDBHSA-N 440.915 6.050 30 20 IKED N#Cc1ccccc1Oc1ccc(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1F 534060319 ZBNZLWHOWRYUKA-UHFFFAOYSA-N 430.395 5.665 30 20 IKED Cc1nnc(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)n1[C@H]1CCC[C@@H](C)C1 535337675 SMFVQQIJSMGIQQ-NUJGCVRESA-N 443.642 5.320 30 20 IKED Cc1ccc(-c2ncco2)cc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 535466302 PTKJWGVKPIOABX-UHFFFAOYSA-N 425.513 6.066 30 20 IKED CCc1csc(-n2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cn2)n1 536494705 SYFJBSZAJKVYQE-MRXNPFEDSA-N 439.953 5.158 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCn1c(C2CC2)nc2ccccc21 536690101 FQFYOTQWQUTDKA-UHFFFAOYSA-N 437.503 5.310 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)cc1F 540105183 AEIBPGJFXDLUGZ-CYFREDJKSA-N 431.467 5.389 30 20 IKED N#Cc1cccc(-c2nnc(CN[C@H](c3ccccc3)c3cc(Cl)ccc3Cl)o2)c1 541292989 RMTPOSXOBHTRIY-JOCHJYFZSA-N 435.314 5.794 30 20 IKED C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(-c2cccc(C#N)c2)cc1 542943631 PREKYIQZQZBZFL-INIZCTEOSA-N 425.448 5.034 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCOc2ccc(Br)cc2C1 549243824 KCVDCLSKFFPJSX-CQSZACIVSA-N 446.370 5.127 30 20 IKED C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 549322573 RCWXCOQYLYPZCC-KRWDZBQOSA-N 440.535 5.003 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1ccc2c(c1)OCCO2 551994565 GGAKFVHDWPHMIB-UHFFFAOYSA-N 429.476 5.094 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 553825449 FCNAAAMZSBQFBO-UHFFFAOYSA-N 438.890 5.347 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCCOc1ccc(F)cc1Cl 560559995 BJMRVYBNARSWMV-AWEZNQCLSA-N 438.977 5.624 30 20 IKED COc1cc(C#N)ccc1NC(=O)N1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 562482344 VTOZEMOEJYFHPX-QGZVFWFLSA-N 448.548 5.110 30 20 IKED COc1c(Br)cc(Cl)cc1NC(=O)N[C@H](CCCC#N)c1ccccc1 567446048 WBVRNCFVECVPDX-MRXNPFEDSA-N 436.737 5.668 30 20 IKED C=CCn1c(CSc2ccccc2OC)nnc1N1CCc2sccc2[C@@H]1CC 572923154 NVIMHNRUHKDSQW-KRWDZBQOSA-N 426.611 5.340 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3cc(-c4ccccc4)on3)c2)cc1 579256192 DTGJBXUDLNKSIX-UHFFFAOYSA-N 438.487 5.308 30 20 IKED C[C@H](SCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1nc2ccccc2[nH]1 603765015 RKWDSRGPUBAZQG-HNNXBMFYSA-N 429.505 5.055 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3[nH]c4ccccc4c3Br)cn2)cc1 604242345 DCCCSSMJHZZFPF-UHFFFAOYSA-N 433.265 5.242 30 20 IKED CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)c1sccc1C#N 604523666 MQAYPIPXNFSZBF-UHFFFAOYSA-N 446.963 5.457 30 20 IKED N#Cc1cnn(-c2ccc(C(=O)Nc3ccccc3Oc3ccc(Cl)cc3)cc2)c1N 608926195 JOAAPRDTLATSJD-UHFFFAOYSA-N 429.867 5.024 30 20 IKED CCC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609125035 ONIRXOPKNYZZCO-JZWVFAODSA-N 437.971 5.409 30 20 IKED COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 609205004 RUOFONWSXMGRDT-UHFFFAOYSA-N 435.911 5.463 30 20 IKED C[C@H](c1cccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1)N1CCOCC1 609299311 GRXRAXIPAILEQY-GOSISDBHSA-N 445.494 5.135 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCCCC[C@H]1c1ccco1 609929148 ZAUOFALFEFIVFZ-DEOSSOPVSA-N 429.520 6.188 30 20 IKED N#C[C@@H](C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1nc2cc(C(F)(F)F)ccc2s1 609959707 PTTILIJBUZEEGN-LBPRGKRZSA-N 425.775 5.367 30 20 IKED CCc1cc(O)nc(-c2cccc(NC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)c2)n1 609991701 ZPRFRYWOIJHEBU-UHFFFAOYSA-N 435.487 5.279 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ncc(-c2ccccc2)o1 610068172 ASCMRNKLIHWORT-MRXNPFEDSA-N 427.435 5.636 30 20 IKED CC(=O)Nc1cccc2c1CCN(C(=O)Nc1ccc(Oc3ccccc3C#N)c(F)c1)C2 610334700 SKNGZMDZTIGLIK-UHFFFAOYSA-N 444.466 5.038 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)N1CCC[C@](C)(C#N)C1 612302304 PLRGJFOVWPJDRE-JOCHJYFZSA-N 444.457 5.424 30 20 IKED C=CCn1c(SCc2cccc(OCC(F)(F)F)c2)nnc1-c1ccc(OC)cc1 615346417 HKOIROFMUYVWLK-UHFFFAOYSA-N 435.471 5.373 30 20 IKED COC1(C(F)(F)F)CCN(C(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)CC1 622720310 SQTHTDODTPTDJK-UHFFFAOYSA-N 449.366 5.695 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OCc4cscn4)c3)n2)cc1 642281133 LGAPKGUYAUNWBF-HXUWFJFHSA-N 431.542 5.644 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2CC 672239288 OSKJZXSJNNCBLV-UHFFFAOYSA-N 442.567 5.114 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2cc(F)c(Br)cc2F)c1C(F)F 677074476 JDCALRYJBZXNLH-UHFFFAOYSA-N 448.136 5.152 30 20 IKED Cc1ccc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2cc(C)c(C)c(C)c2C)c1 726569768 KVGODWCMYTXYCT-UHFFFAOYSA-O 446.596 5.023 30 20 IKED CCN(Cc1ccc(CN(C)C)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 727589480 VIQDPHAJEIDQFA-AREMUKBSSA-N 426.564 5.458 30 20 IKED Cc1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1F 727978996 SJASTTQOGCZFON-UHFFFAOYSA-N 425.916 6.047 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)o1 728032260 ABFWRZBMZKXHHX-FQEVSTJZSA-N 440.421 5.726 30 20 IKED N#Cc1cc(F)ccc1COC(=O)c1cccnc1Oc1ccc(F)cc1Br 728622853 USVMMADBTRLOGC-UHFFFAOYSA-N 445.219 5.143 30 20 IKED CCC(CC)(C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1)c1ccc(Cl)c(Cl)c1 729003340 LBYCYVZFUYVGSH-CQSZACIVSA-N 439.364 5.236 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(OCc2ccccc2)cc1)[n+]1cccc(C)c1 730440520 RYBODDQXPQFJGL-UHFFFAOYSA-O 431.581 5.238 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 730686076 CVTXIVIOMAOANM-RDBSUJKOSA-N 442.129 5.751 30 20 IKED CCN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)Cc1ccc(C(F)(F)F)cc1 731030073 BSYUXUIFWHHANT-INIZCTEOSA-N 435.515 5.418 30 20 IKED Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c2Cl)cc1 731332103 CYJLYNRSGZUPRY-INIZCTEOSA-N 438.984 5.848 30 20 IKED CC(=O)C1=C(c2ccc(C)cc2)N(CCCCCC(=O)O)C(=O)N[C@H]1c1ccc(C)s1 731433183 DXSDXBREFJHBFG-QFIPXVFZSA-N 440.565 5.077 30 20 IKED N#Cc1cccc(OCCCCC(=O)OCc2nnc(-c3ccc(Cl)cc3Cl)o2)c1 732397349 QUMHLAZZQIRXTP-UHFFFAOYSA-N 446.290 5.208 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1 733842849 BUSSXOOXIBAUBH-QFIPXVFZSA-N 443.507 5.333 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2O[C@H](C)c2ccccc2)c1 734656463 YNWFHPDZICWCDV-DENIHFKCSA-N 429.520 5.829 30 20 IKED CN(Cc1csc(Br)c1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740059924 NAOKQOMPQZZJQM-UHFFFAOYSA-N 446.395 5.452 30 20 IKED N#C[C@@H](COC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)Cc1ccc(F)cc1 744074172 KEUFNQUHZCRPQF-AWEZNQCLSA-N 446.265 5.254 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2c(C)nn(C(C)C)c2C)cs1 746345188 ALHUZNXUBUMTEI-FLIBITNWSA-N 442.972 5.771 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccccc2)o1 748907571 RNWSEAAVOFVPHU-INIZCTEOSA-N 436.489 5.119 30 20 IKED Cc1sc2ncn(N=Cc3cnc(-c4cccs4)s3)c(=O)c2c1-c1ccccc1 751521008 ILHLICNAZSYVIK-UHFFFAOYSA-N 434.571 5.501 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)cc1 752340409 RSKKLBRHSNYPJJ-QUCCMNQESA-N 449.551 5.034 30 20 IKED Cc1cccnc1/C=C/C(=O)C(c1nc2ccccc2s1)c1nc2ccccc2s1 760183437 QLULPAPOHWDTEM-OUKQBFOZSA-N 427.554 6.024 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1 760789944 QHFWGEKNNWTZSF-OAQYLSRUSA-N 428.435 5.478 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 762018919 KGQDUJQKLQFMFC-UZUQRXQVSA-N 434.495 5.403 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(c3ccncc3)CC2)c1=S 762099796 YEQWSNOVERTYDH-UHFFFAOYSA-N 425.989 5.153 30 20 IKED C[C@@H](Sc1ccc(Br)cc1)C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl 764301140 IWKKELMTAPHWHJ-SECBINFHSA-N 440.706 5.002 30 20 IKED CC(C)(C)CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 764754973 NOSSROLRNBXIRQ-UHFFFAOYSA-N 430.229 5.407 30 20 IKED C=CCn1c(-c2cccs2)nn(CN(C)Cc2ccc(SC)c(OC)c2)c1=S 764944439 FZKLVMJEONTQLX-UHFFFAOYSA-N 432.640 5.149 30 20 IKED C=CCn1c(SCc2cc(=O)oc3cc(CC)c(Cl)cc23)nnc1-c1ccccn1 768417571 HHXAYSMJGRBUGI-UHFFFAOYSA-N 438.940 5.141 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)c(Cl)c1 774165574 WNAOVSOZMKKPTH-UHFFFAOYSA-N 433.961 6.170 30 20 IKED CCS(=O)(=O)c1c(Cl)cccc1CNCc1cccc(-c2ccc(C#N)s2)c1 775311134 OCOBCDMBTLHYSX-UHFFFAOYSA-N 430.982 5.024 30 20 IKED C=C(C)[C@H](NC(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc(F)c(F)c1 776181916 KZJMVAONEBOAED-UHYCVJNDSA-N 437.531 5.059 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)n1 776527827 KOGIZYPATXKLMG-BXTJHSDWSA-N 447.963 5.233 30 20 IKED N#CCc1ccccc1CC(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 776744748 BRDZXKRTBOJWPU-QFIPXVFZSA-N 427.935 5.378 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1 780178350 SCMDSYCDJSFZKM-QGZVFWFLSA-N 426.451 5.222 30 20 IKED N#C[C@H](C(=O)CCC(=O)c1ccc2c(c1)CCC2)c1nc2cc(C(F)(F)F)ccc2s1 783359257 SEBNSNJNGFLUQE-QGZVFWFLSA-N 442.462 5.643 30 20 IKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)OCc1cncn1CC(F)(F)F 797118264 GSCCASRWJBHESY-UPHRSURJSA-N 446.269 5.240 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1COC(=O)NC1CCCCC1 806264791 GQMARPKWJCMILL-PKOBYXMFSA-N 444.601 5.136 30 20 IKED CC(C)(C(=O)OC[C@H](C#N)Cc1cccs1)c1csc(-c2cc(F)ccc2F)n1 810648785 FRHDVWVVZIKKLA-ZDUSSCGKSA-N 432.517 5.353 30 20 IKED COc1ccc(-c2nc(S[C@@H](C)c3ccc(Br)cc3)nc(O)c2C#N)cc1 813569847 OBPCVERNPQZFQX-LBPRGKRZSA-N 442.338 5.345 30 20 IKED Cc1c(C(=O)N2CCO[C@@H](c3ccccc3Br)C2)sc2ccc(C#N)cc12 814108003 ZBDRKNCCMFJANS-GOSISDBHSA-N 441.350 5.058 30 20 IKED C#Cc1ccc(-c2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)cn1 904668828 PAQSKJHADLZGIE-UHFFFAOYSA-N 442.784 5.639 30 20 IKED CCCc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 916847110 LYNMTUXYQDPUAW-GOSISDBHSA-N 447.560 5.068 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)Cc1coc2ccc3ccccc3c12 916902465 GTKLITIBCWRZAN-SFHVURJKSA-N 446.890 5.447 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1NC(=O)c1ccccc1 916918428 OYULOLSBBPLUSG-QHCPKHFHSA-N 447.494 5.362 30 20 IKED N#C[C@@H](C(=O)c1cccc(N2CCOC2=O)c1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 917031983 DQFDCQZYHSVSND-ILGMOKPNSA-N 447.560 5.058 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)Oc3c(Cl)cc(C#N)cc3OC)c12 920218689 SFHRKYUWSRKUIR-UHFFFAOYSA-N 437.839 5.188 30 20 IKED Cc1cc(/C=C\C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c(C)n1C1CCCCC1 920265829 VFYZXOXGFBXSEJ-FMFFHWJCSA-N 430.577 6.018 30 20 IKED O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(-n2ccnc2O)cc1 1559000318 WOOZADFSFAQGPF-UHFFFAOYSA-N 447.310 5.120 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3c(C)noc3CCC)cc2)CCC1 1788777510 SOPNMLJBCHFJBE-UHFFFAOYSA-N 435.568 5.452 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc4c(C)cccc4[nH]3)cc2)CCC1 1789269259 JZFPMXNKEWVWPH-UHFFFAOYSA-N 433.577 5.143 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5cc[nH]c5c4)CCC3)cc2)c1 1790257144 JOJMUVVUYHYXCS-UHFFFAOYSA-N 434.499 5.101 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)CCC2)c1 1790291140 YZHLSUNJVKBKOI-LJQANCHMSA-N 448.526 5.247 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3C3CC3)CCC2)cc1 1790569149 CTQOBLZIHDDEPY-SFHVURJKSA-N 433.552 5.113 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)CCc3ccc(C)cc3)cc2)CCC1 1791338280 RUOKBLMXSOXFKA-UHFFFAOYSA-N 434.580 5.045 30 20 IKED Cc1ncc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)s1 1792123508 GIULAAMOKCXISF-INIZCTEOSA-N 444.560 5.140 30 20 IKED C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@@H](C)C#N)c1)C2)c1ccc(Cl)cc1 1792823184 XCLRHJXFQUZDOP-OCENLMORSA-N 449.982 5.023 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1[nH]c3c(Cl)cccc3c1C)C2 1798334063 VZKYXOUGOKEJPC-FCGDIQPGSA-N 439.987 5.150 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/C2CCCCC2)[C@@H]1c1cccnc1 1802501274 WKHSMDWWEVHBHP-HGJZCRRWSA-N 437.628 5.216 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C)c2F)CC1 1828825731 YIUJJXBVFHAXJB-JTHBVZDNSA-N 426.576 5.136 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cnc(C)s2)CC1 1832351374 UWGDZNFNTOFUFL-NELJVSICSA-N 443.657 5.077 30 20 IKED Cc1cc(C)cc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(N(C)C)cc2)c1 10172635 GJVVCUSGKHGQLB-UHFFFAOYSA-O 446.640 5.831 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2cccc(Cl)c2)cc1 10830799 MVFGNGXNSQBPOC-UHFFFAOYSA-O 441.020 5.586 30 20 IKED C=CCN(C(=O)c1cccc(OCc2csc(C)n2)c1)c1nc2c(s1)CCCC2 16708979 VTLZOHPHFCVPFA-UHFFFAOYSA-N 425.579 5.199 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)c1 63951397 QGJSATQRGHUCBZ-UHFFFAOYSA-N 447.494 5.642 30 20 IKED C=CCOc1cccc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1 108868988 SFPVGRSRQGJJDX-QHCPKHFHSA-N 434.923 5.405 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1-c1nc2ccccc2s1 302595870 RONPFGKOVQBCQD-UHFFFAOYSA-N 428.517 5.124 30 20 IKED C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)o1 409807082 JSLDNEJCFOOMTC-VUVCYMEASA-N 425.488 5.269 30 20 IKED Cc1cccc(-n2ncc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)c2C(F)(F)F)c1 430611457 OPTGUPNSSPZKMI-AWEZNQCLSA-N 432.471 5.444 30 20 IKED Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)C(=O)c2cccc(SCC#N)c2)c1 430959432 ZHBHBWAEYBXGIU-UHFFFAOYSA-N 429.545 5.205 30 20 IKED Cc1nc2ccccc2n1C1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 432075759 GEONKYHNQFOAIG-KRWDZBQOSA-N 433.581 5.608 30 20 IKED C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)C(=O)Nc3cccc(OCCCC#N)c3)c2)C1 437045196 NXPZKGFIJYBNOS-XXBNENTESA-N 449.551 5.042 30 20 IKED Cc1nc(Cc2ccccc2)sc1[C@H](C)NC1CCC(Oc2ncccc2C#N)CC1 437083396 HJSZPXOKRVTMOB-YTXWROIDSA-N 432.593 5.350 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 438648859 KHLRKIQAWVTCNE-JOCHJYFZSA-N 431.467 5.867 30 20 IKED CN(C(=O)Nc1cnn(-c2ncccc2C#N)c1)[C@H](c1ccc(Cl)cc1)C1CCCC1 439387654 YRXUHBFFYRGYNT-NRFANRHFSA-N 434.931 5.188 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CSc2ccccc2C#N)cs1 439681306 AUHHVOODYVARJB-UHFFFAOYSA-N 433.480 6.010 30 20 IKED CCCc1c(NC(=O)N2C[C@H](C)C[C@H]2c2cccc(F)c2)cnn1-c1cccc(C#N)c1 439682151 LEPCTCHLKGWDHZ-OSPHWJPCSA-N 431.515 5.451 30 20 IKED COc1ccccc1NC(=O)CNc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 462193681 XYEADMYLEMDCBV-UHFFFAOYSA-N 441.409 5.429 30 20 IKED Cc1nc(-c2cccc(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)c2)cs1 463543734 MBOOXHCBSLPMJY-XMMPIXPASA-N 439.540 5.692 30 20 IKED CC(C)(NC(=O)NCc1ccc(F)cc1C(F)(F)F)c1nc(C(F)(F)F)cs1 465557448 GVLUGUOSCQDKGG-UHFFFAOYSA-N 429.361 5.054 30 20 IKED COc1ccc(-c2cncc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)c2)cc1 466295282 DLWXEEDXZVAHSV-UHFFFAOYSA-N 448.482 5.133 30 20 IKED CC(C)(C)[C@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1F 468532021 XWXLQEFNZJFLSO-CYBMUJFWSA-N 432.355 5.578 30 20 IKED CC(C)CCOc1ccccc1CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470565503 MEANQNXEBGTMFT-UHFFFAOYSA-N 448.567 5.016 30 20 IKED O=C(Nc1cc(F)cc(NCC(F)(F)F)c1)c1cc(OC(F)F)cc(OC(F)F)c1 473252539 DGFGIIMFIASHGF-UHFFFAOYSA-N 444.278 5.255 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 475547268 GPJKOXLYQHHVMM-UHFFFAOYSA-N 433.596 5.238 30 20 IKED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1nc(SCc2ccccc2)ns1 476499494 LJTLEZQKUHPZLK-MOPGFXCFSA-N 435.578 5.134 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2csc(-c3cnccn3)n2)cc1Cl 476863484 QQLLUJAAUVFZMA-KRWDZBQOSA-N 431.908 5.161 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2cccc(-n3cc(C(F)(F)F)cn3)c2)c1 481953264 WYTAOCJQYLLAHR-UHFFFAOYSA-N 429.402 5.218 30 20 IKED C[C@H](C#N)CN(C)C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482343236 HBVLORFBQXKRAP-PELKAZGASA-N 435.290 5.129 30 20 IKED Cc1cc(C)c(-c2nnc(S[C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)o2)c(C)c1 483266456 HKMNDKJZTBUKHO-SCTWRPTPSA-N 426.586 5.073 30 20 IKED CC(C)CN(Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1Br 483531777 NATJNVWQYXMYMC-UHFFFAOYSA-N 425.330 5.029 30 20 IKED Cc1ccc(-c2noc([C@H](C)NCc3cccc(OCc4cccc(C#N)c4)c3)n2)cc1F 483662218 OXDORQCHWBEZMN-SFHVURJKSA-N 442.494 5.486 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)CCC(=O)c3ccccc3)s2)c(C(F)(F)F)c1 487394071 YSHAGOVDUUYUFR-UHFFFAOYSA-N 443.450 5.226 30 20 IKED C=CC[C@H](C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1)c1ccccc1 489722594 ZVOUPQPBFKBICE-KSSFIOAISA-N 426.314 5.036 30 20 IKED CCN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 492147935 OCSBNTRLWFKKLA-FBMGVBCBSA-N 426.476 5.006 30 20 IKED C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 500277753 NHDBPCRINPWVIZ-AWEZNQCLSA-N 425.426 5.257 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)cs1 502835877 JFJWIKSPRQBMFO-UHFFFAOYSA-N 448.935 5.024 30 20 IKED C=CCn1c(SCCCC(=O)c2ccc(Br)cc2)nnc1-c1cccnc1 503718433 SDSIKZKQALFEKH-UHFFFAOYSA-N 443.370 5.044 30 20 IKED Cc1nc2ccccc2n1CCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 503888682 VCQFVWTZXVCGBW-NRFANRHFSA-N 443.938 5.475 30 20 IKED CCCn1nccc1C1CCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 504769206 DYENDYRNEZXNCP-UHFFFAOYSA-N 429.524 5.369 30 20 IKED COCCN(CCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 508281305 RUGHFFMLCZGHGJ-UHFFFAOYSA-N 445.519 5.082 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N[C@@H](CC(F)(F)F)c3ccc(F)cc3)o2)cc1 509293854 KBFHUYWHECWIBI-IBGZPJMESA-N 432.373 5.293 30 20 IKED N#Cc1ccc(SCC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)cc1 509640636 PQYXONXLYOTREI-HXUWFJFHSA-N 427.485 5.367 30 20 IKED CN(C)[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 510007563 YLLQWJSZRNUDOQ-UPVQGACJSA-N 432.955 5.420 30 20 IKED CCN(Cc1ccc2ccccc2c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 510577911 IFZAEANCJYHECZ-UHFFFAOYSA-N 449.554 6.539 30 20 IKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)[C@@H](C#N)c3nc4ccccc4s3)o2)cc1 513681949 MBPJXQLAGCBWIV-HXUWFJFHSA-N 435.508 6.417 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(OCC3CCCCC3)CC2)cc1C 515263519 KILFELOHJUUNCT-UHFFFAOYSA-N 448.611 5.282 30 20 IKED N#Cc1cccc(CNC(=O)c2ccccc2SCc2ccc(Br)cc2)c1 515281484 OIOCMIFXCGBGCN-UHFFFAOYSA-N 437.362 5.543 30 20 IKED COc1cc(CN(C)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc(OC)c1 516336429 OSZQQHIXMYUWNZ-GOSISDBHSA-N 429.520 5.145 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H]3CCN(c4ccc(F)cc4)C3)cc2)c1 517530400 ONSAITZGPUPKGX-IBGZPJMESA-N 430.483 5.138 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccc(F)cc4)s3)n2)cc1 517800707 CVBLBHYLEXDSMS-GOSISDBHSA-N 434.517 6.176 30 20 IKED N#CCCCOc1cccc(NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)c1 518574313 BMVAGPNCDDBXMZ-UHFFFAOYSA-N 440.569 5.134 30 20 IKED Cc1cc(CSc2ncccc2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)no1 519509015 VHGJLMMZFAHHDD-UHFFFAOYSA-N 442.500 5.587 30 20 IKED C[C@H](NC1(CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CCCC1)c1ccccc1 520290469 OIFFMWMDZRBSEM-FQEVSTJZSA-N 443.547 5.124 30 20 IKED N#C[C@H](C(=O)c1occc1COc1ccccc1)c1nc(-c2c(F)cccc2F)cs1 521259583 RNTOTYFFVWABTM-MRXNPFEDSA-N 436.439 5.750 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(-c2cccs2)on1 521327156 UEBPNUVBQPVHOW-CQSZACIVSA-N 429.592 5.669 30 20 IKED C=CCn1c(SCc2nc(-c3ccsc3)oc2C)nc2sc3c(c2c1=O)CCC3 524214875 HVBQAYGTVSKXQQ-UHFFFAOYSA-N 441.603 5.450 30 20 IKED COc1ccc([C@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C2CC2)cc1 524523129 FTFVJKOMAONMPR-AREMUKBSSA-N 443.522 5.569 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H](OCC(F)(F)F)C2)cc1F 525743272 PCMXHRMYFKZNMM-MRXNPFEDSA-N 437.393 5.065 30 20 IKED CC(C)S(=O)(=O)Cc1cccc(NCc2cccc(OCc3cccc(C#N)c3)c2)c1 532892186 AZKFADMNFADYSR-UHFFFAOYSA-N 434.561 5.073 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CSc1nc2ccccc2[nH]1 535345310 MGXYRZHCJHWIAC-UHFFFAOYSA-N 428.517 5.053 30 20 IKED CC(C)Cn1cc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(F)F)n1 535640429 UMQKBJQITAKSBN-UHFFFAOYSA-N 429.311 5.767 30 20 IKED C[C@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)c1ccc(-c2cccc(C#N)c2)cc1 541072474 CRVVTNFDZJLJPA-IBGZPJMESA-N 436.515 5.475 30 20 IKED CCCC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C 542925290 RFBCWWKCVQOKNV-IBGZPJMESA-N 440.547 6.155 30 20 IKED COc1cccc(C2=CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2)c1 543872940 ATMVQJLDBAWWIS-DEOSSOPVSA-N 443.934 5.935 30 20 IKED N#Cc1csc(-c2nc(-c3ccccc3-c3ccc(CN4CCCC4=O)cc3)no2)c1 545036661 IGZGLGWNGVKJFW-UHFFFAOYSA-N 426.501 5.126 30 20 IKED Oc1nc2cc(-c3nc(-c4ccc(C(F)(F)F)c(F)c4)no3)ccc2n1CC(F)(F)F 545699808 DNAVJVIBECWISY-UHFFFAOYSA-N 446.282 5.179 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 555076447 KQARYSYFQPPPFV-KSFYIVLOSA-N 445.485 5.090 30 20 IKED CC[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H](c1ccc(C)cc1)n1cncn1 555666966 DMVGBTQDVSBALC-QMHWCDLVSA-N 448.596 5.028 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)c1C 558469948 CJIYGBIVNYZSGY-CQSZACIVSA-N 445.375 5.787 30 20 IKED Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1SCc1ccc(C#N)cc1 558951907 FFTDWCJURVBXMV-YADHBBJMSA-N 440.572 5.045 30 20 IKED N#Cc1ccc(N2CC[C@@H](C(=O)Nc3ccccc3-c3nc4ccccc4s3)C2)c(F)c1 561029691 WVQWQYBAGFEOJP-QGZVFWFLSA-N 442.519 5.439 30 20 IKED C=CCN1C(=O)N(c2ccnc(Oc3ccccc3Cl)c2)C(=O)[C@H]1Cc1ccccc1 561033516 OKPHZNLNWNNHTR-HXUWFJFHSA-N 433.895 5.093 30 20 IKED N#Cc1ccc(CNCc2cccc(NC(=O)c3ccc(F)cc3)c2)c(C(F)(F)F)c1 565333684 YPMCWXPDKLOGDB-UHFFFAOYSA-N 427.401 5.258 30 20 IKED C=CCC[C@@H](NS(=O)(=O)Cc1cc(C(C)(C)C)on1)c1ccc(C(F)(F)F)cc1 566929705 NUSURYPBGCSWSW-QGZVFWFLSA-N 430.492 5.118 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CC[C@H](C(F)(F)F)C4(CCC4)C3)c2)cc1 567293557 DBVXYVOLQQLMCM-FQEVSTJZSA-N 429.442 5.937 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C#N)CC3)n2CCc2ccccc2)c1 574139874 VTANAFUIXGGUFR-UHFFFAOYSA-N 443.595 5.272 30 20 IKED N#Cc1ccc(N2CC[C@@H](C(=O)N(c3ccc(F)c(Cl)c3)c3nccs3)C2)c(F)c1 578243893 VAVNGIFFIRAJED-CQSZACIVSA-N 444.894 5.138 30 20 IKED CC1(C(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)CCN(c2ccc(Cl)cc2C#N)CC1 587877660 ASZRXLYEDOVOBN-MAUKXSAKSA-N 441.925 5.303 30 20 IKED CC(C)(c1noc(C[C@@H](CC#N)c2ccccc2)n1)c1cc(Br)ccc1F 589150528 OZNWDQYYPPSAIC-OAHLLOKOSA-N 428.305 5.537 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N(Cc1ccccc1F)C1CC1 589757749 IFPUBUNPVXHICU-STQMWFEESA-N 426.376 5.409 30 20 IKED C=C1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2cccc(OC)c2OC)CC3)CC1 595460265 VRCSAUXXHPFGKD-HTXNQAPBSA-N 440.543 5.531 30 20 IKED C[C@@H](Oc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cn1)c1ccccc1 603763797 GUIRHTFPAGOURR-GOSISDBHSA-N 436.471 5.533 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3cc(F)cc(Br)c3)c2)c1 603942124 PACOZKLBUMXVOG-UHFFFAOYSA-N 425.301 5.329 30 20 IKED N#Cc1cc(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)ccc1Cl 603952142 FBOXLTMGHRXHHJ-RDGATRHJSA-N 443.934 5.330 30 20 IKED C[C@H](Nc1ccc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1[N+](=O)[O-])c1ccccn1 604417401 RDOOOPNVLVVUJL-LPHOPBHVSA-N 437.459 5.201 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)[C@@H](c3ccccc3)N3CCSCC3)c2)cc1 609176594 SAXKAQRLTAPAMM-XMMPIXPASA-N 429.545 5.079 30 20 IKED Cc1ccc(C(=O)N[C@H](CC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2ccccc2)cc1 609228450 VAOIMJNJNWTKTQ-XMMPIXPASA-N 425.532 5.296 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1OC 609399339 ODOZIVGVAIHEPE-VQIMIIECSA-N 425.554 5.325 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 609404856 VBNZVTDMUDCVMZ-VFNWGFHPSA-N 441.984 5.188 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(-c4n[nH]c5c4CCCC5)c3)cc2)nc1 609515979 XGWJRHLVHSLPPC-UHFFFAOYSA-N 435.487 5.267 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)cc2)cc1 609523467 XRDKWCJGHBVJSB-QFIPXVFZSA-N 436.298 5.846 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)c1 609722744 BKZXXCOXMINOOZ-UHFFFAOYSA-N 431.879 5.605 30 20 IKED COc1cc(CSCC(=O)N(C)c2ccccc2)ccc1OCc1cccc(C#N)c1 609741116 HNVZGKFNWDLILG-UHFFFAOYSA-N 432.545 5.042 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3nnc(SCc4cccs4)s3)c2)cc1 610011124 MNFFOIYSTJBWOJ-UHFFFAOYSA-N 449.586 5.759 30 20 IKED C[C@H]1CCCCN1CCC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 610791874 WIPGSHKIVSIKNM-FQEVSTJZSA-N 447.583 5.254 30 20 IKED N#Cc1ccc(N2CCC[C@@H]2c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)cc1 614970075 SPAHRYIOTUHPQN-OAQYLSRUSA-N 427.439 5.276 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cnc(-c2ccccc2F)s1 619991494 XABSVJHUNSNHCD-URLYPYJESA-N 440.384 5.589 30 20 IKED C=CCn1c(Sc2ncnc3scc(-c4ccc(F)cc4)c23)nnc1-c1ccncc1 669623646 GBRSWLTYYHUJDD-UHFFFAOYSA-N 446.536 5.488 30 20 IKED C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 670195984 MRKTTZPFORFKHK-XMMPIXPASA-N 449.643 5.061 30 20 IKED CCC[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F 675202473 KSBWFTHLWILYDY-RWSFTLGLSA-N 432.355 5.578 30 20 IKED COc1cc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)ccc1OC(C)C 726626476 HESBXZRQXVNWPC-DJKKODMXSA-N 444.965 5.413 30 20 IKED COc1ccc(/C=C2/N=C(SC[C@@H](C#N)CCC#N)N(c3cc(C)cc(C)c3)C2=O)cc1 726730653 OXNHKSISEVTUOA-RXULLKCLSA-N 444.560 5.233 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 728186739 UKJTZSMNDLTVJU-UHFFFAOYSA-N 441.925 5.159 30 20 IKED C#Cc1cccc(N(CC)C(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1 728480777 KQJUNHCFQKXUJD-UHFFFAOYSA-N 440.587 5.167 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(C4SCCCS4)cc3)c2)cc1 729375555 KPEQUCDRSNNYNX-UHFFFAOYSA-N 432.570 6.472 30 20 IKED CC(C)(C)CN(CCC#N)Cn1nc(-c2ccc(Cl)c(Cl)c2)c2ccccc2c1=O 729467866 GXMHLDKEKYPZOF-UHFFFAOYSA-N 443.378 5.590 30 20 IKED Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c2c1 730989716 NTVDHVKCZOZYGF-GOSISDBHSA-N 438.556 6.109 30 20 IKED C=CCN1C(=O)N[C@@H](c2ccc(C)c(F)c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 731492281 BKQKLTZFGSVTNP-FQEVSTJZSA-N 447.432 5.318 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](O)c1ccc2ccccc2c1 731539707 FTSDAHCMIICPRP-AREMUKBSSA-N 437.499 5.667 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(C(F)(F)F)nc2O)ccc1OCc1ccc(F)cc1 731563161 MMKFXWULJIFHMQ-WTKPLQERSA-N 447.384 5.429 30 20 IKED CCOC(=O)c1c(NC(=O)Cc2ccc(OCC#N)cc2)sc(C)c1-c1ccc(C)cc1 731963231 FZDKGCPKMFOELB-UHFFFAOYSA-N 448.544 5.292 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)NCC(c2ccccc2)c2ccccc2)ccc1OC 733640082 JBVMHDAUPJLRFL-QHCPKHFHSA-N 443.547 5.007 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 734101060 DSMICRGXYWQFHS-HHHXNRCGSA-N 443.506 6.045 30 20 IKED CCOc1cc(/C=C2\Cc3cc(F)ccc3C2=O)ccc1OCC(=O)N(C(C)C)C(C)C 734307046 KUEDWUSVPAARMR-RGVLZGJSSA-N 439.527 5.071 30 20 IKED C=CC[C@H](NC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)c1ccncc1 734456000 QCBCMSJGJKQONV-KXBFYZLASA-N 427.957 5.445 30 20 IKED C=CC[C@H](NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1)c1ccncc1 734460166 POQMJRODAUKNFL-FQEVSTJZSA-N 436.968 5.550 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](c2ccccc2)C2CCOCC2)cc1 734648498 XFNYLJQHAFWPJA-VWLOTQADSA-N 427.504 5.640 30 20 IKED O=C(/C=C\c1csc(-c2ccc(Cl)cc2)n1)c1ccc(S(=O)(=O)C(F)F)cc1 735231929 DUKVZBZUBCBQBD-YFHOEESVSA-N 439.892 5.356 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 742486662 VSWFRVBOSQHUJH-UHFFFAOYSA-N 432.851 5.341 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)N(Cc1ccccc1O)C1CCCCC1 745419466 YWFDCGLODUQZTG-UHFFFAOYSA-N 430.470 5.307 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2ccc(-c3ccccc3Br)n2C)n1 747197612 KMAFPURMBRSLGN-CQSZACIVSA-N 428.355 5.525 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 747205300 RHHWNKFBYMRICZ-QFIPXVFZSA-N 449.441 5.748 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnc(-c3ccccc3Cl)s2)cc1 748003791 KKOUWURDIIYIBW-KDOFPFPSSA-N 437.952 5.938 30 20 IKED Cc1c(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cnc(Cl)c1Br 760056296 ONUAYOLNQXGXNT-HOCLYGCPSA-N 433.737 5.110 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)Nc3ccc(OC4CCCC4)c(Cl)c3)CCO2)c1 761842237 LNPULJXRIDOCRP-QFIPXVFZSA-N 425.916 5.138 30 20 IKED C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl)c1cccc(C(=O)c2ccccc2)c1 762027546 YNKZTGJTMOPNES-OXQOHEQNSA-N 430.891 5.022 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CCc3c(sc4ccccc34)C2=O)cs1 763100478 IWKDUWZWJLIZPS-QINSGFPZSA-N 448.544 6.394 30 20 IKED C#CCN(C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1)C1CC1 763790816 OSAYRNQVJVMIBH-UHFFFAOYSA-N 437.615 5.193 30 20 IKED C=CCn1c(-c2cccc(Cl)c2)nn(CNC2(c3ccccc3)CCOCC2)c1=S 764122257 VEPIXYOPJSFJPT-UHFFFAOYSA-N 441.000 5.173 30 20 IKED C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCO[C@H](c3ccsc3)C2)c1=S 765072383 BBMWECSASLPLNA-SFHVURJKSA-N 433.002 5.013 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccco2)s1 767487848 VIFYFDHDIXBWKK-CQSZACIVSA-N 426.519 5.055 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 770839523 PBECGCKOQOHDLV-XDHUDOTRSA-N 428.532 5.424 30 20 IKED N#C[C@H](COC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)Cc1cccs1 772734303 GLJXPXWNZAQOJB-CYBMUJFWSA-N 436.480 5.359 30 20 IKED O=C(COc1ccc(C(=O)/C=C/c2c(C3CC3)nc3sccn23)cc1)Nc1ccccc1 774556366 SSCKVEIOODJSSL-OUKQBFOZSA-N 443.528 5.187 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N(Cc1ccccc1Br)C1CCCC1 780675217 AOGHTVWHDCHHSX-MRXNPFEDSA-N 442.357 5.717 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2Cl)cs1 782189255 PNKHPVPELQDHFU-RUDMXATFSA-N 445.859 5.425 30 20 IKED C=CCCN(Cc1csc(N(C(C)=O)c2ccc(C)cc2C)n1)OCc1ccccc1 782664196 HUCLQKUUGSUKED-UHFFFAOYSA-N 435.593 5.954 30 20 IKED C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 785162023 RQFSZKRKWKDGJY-BAEUJYSMSA-N 437.543 5.110 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)NCc2cccc(Cl)c2)c(C)n1[C@H](C)c1ccccc1 786541998 XUDQLFNLLKDQGV-UZUQRXQVSA-N 433.939 5.007 30 20 IKED N#C[C@@H](COC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)Cc1ccccc1 786962638 ZKVODBCGMYXXAE-INIZCTEOSA-N 444.318 5.292 30 20 IKED C#CCn1ccc(CN(CC)C(=O)Nc2ccc(S[C@H](C)CC)cc2C(F)(F)F)n1 788591790 KFQLKIBTIZAWTG-OAHLLOKOSA-N 438.519 5.480 30 20 IKED CC(C)(C)C(=O)NC1CCC(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1 789405859 NJMQDHHWEWIGLC-VMWRSERWSA-N 444.000 5.361 30 20 IKED O=C(/C=C/c1ccc(-c2cccc(F)c2F)o1)c1ccc(S(=O)(=O)CC(F)F)cc1 790220886 XQBGVTUQNJOCKD-UXBLZVDNSA-N 438.398 5.160 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@H](O)c2cccc(C(F)(F)F)c2)cc1 795391367 VPLBONZNPOQOFS-JOCHJYFZSA-N 440.421 5.023 30 20 IKED CC(C)(CCC#N)COC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12 798875906 FOEKUCVVPGBXOB-UHFFFAOYSA-N 438.325 5.546 30 20 IKED N#C[C@H](C(=O)Cc1c(F)ccc(Br)c1F)c1nc2cc(Cl)ccc2s1 800385410 BOMACJLSIBFJNG-SNVBAGLBSA-N 441.684 5.409 30 20 IKED Cc1sc2ncn(N=Cc3ccc(-c4ccccc4Br)cc3)c(=O)c2c1C 800806277 CNFWZBVWHDECSZ-UHFFFAOYSA-N 438.350 5.387 30 20 IKED CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H](NC(=O)CCc1ccc(C#N)cc1)CC(C)(C)O2 810957023 RYOLSLHVBZSWLW-NRFANRHFSA-N 449.551 5.256 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)c1cccc(Br)c1 813060438 ZJEUZIGDKRFHDV-AUUYWEPGSA-N 427.342 5.025 30 20 IKED Cc1nc(Cc2ccccc2)sc1[C@@H](C)OC(=O)c1cnc(C(F)(F)F)c(C#N)c1 815958537 HPKUEUURYAYYGN-CYBMUJFWSA-N 431.439 5.246 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1c(F)c(F)c(F)c(F)c1F 825131135 SRFAARYATHSRMG-UHFFFAOYSA-N 445.388 5.170 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)COc2ccc(Br)cc2F)cc1 915087290 RNKWIBJGPXYAEE-LJQANCHMSA-N 439.284 5.261 30 20 IKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccco2)cc1 916211975 INXYOZROABKHAD-OAQYLSRUSA-N 433.533 5.057 30 20 IKED Cc1cc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)cc(C)c1OC(F)F 916310355 XUONCYLBOIRSIL-UHFFFAOYSA-N 439.487 5.534 30 20 IKED C[C@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)c2C#N)C1 916828309 TXQYMBJJCOCDBY-OYHNWAKOSA-N 442.540 5.451 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2c(C)nn(-c3ccc(Cl)cc3)c2C)S1 917144634 JSRQSSABFNZYLL-UDWIEESQSA-N 436.968 5.651 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)cc1 918486453 IEYQGCVOBSDJGH-HNNXBMFYSA-N 445.327 5.692 30 20 IKED C=CCOc1ccc(/C=C/C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1OC 918684137 KTCNUHHMYFQOKJ-VZUCSPMQSA-N 439.939 5.048 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)CSC4CCCC4)cc3)CCC2)cc1 1786348550 RPHREFOIFQOFHA-UHFFFAOYSA-N 447.604 5.176 30 20 IKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3ccc(C(C)C)cc3)cc2)CCC1 1790313583 APSAELPFCAUPRF-UHFFFAOYSA-N 448.563 5.067 30 20 IKED CC[C@@H](C(=O)NC1(c2ccc(NC(=O)[C@@H](C)ON=C(C)C)cc2)CCC1)c1ccccc1 1790565294 YQODMHLKWZBNAR-AUSIDOKSSA-N 435.568 5.115 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C)c3Cl)CCC2)cc1 1790569771 RLLLURZOBFBJSY-KRWDZBQOSA-N 441.959 5.197 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cc3c(F)cccc3Cl)C2)CC1 1805214037 BMLAOMDIJVFMQW-UHFFFAOYSA-N 449.010 5.245 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3c(F)cccc3Cl)CC2)C1 1805456419 VZSDIBFYBAILOM-UHFFFAOYSA-N 432.967 5.092 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C3CC3)cc2)[C@H]1c1cccnc1 1810175047 SCIZOLKVVQDWPF-CYXNTTPDSA-N 443.591 5.047 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3ccoc3c2)[nH]n1 1814828387 JPYWHODHIRPIQE-NRFANRHFSA-N 432.524 5.230 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@]2(F)CCCC=C2F)n[nH]1 1823582185 FPUNNKHZLSLXFS-GAJHUEQPSA-N 434.531 5.140 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC)c(F)c2)CC1 1823750493 BHMQKFIKHXMZJP-QFIPXVFZSA-N 444.591 5.060 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1 1824145231 WBIHMYYZKSNNST-YFJHUXEUSA-N 426.645 5.201 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cc(C)cs2)CC1 1825207488 BEJNAJDIFLZJOE-BJKOFHAPSA-N 442.669 5.377 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)CC2)C1 1828456677 UISSEAINHVYDAC-OXCBMLQPSA-N 426.645 5.179 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cc3ccccc3o2)CC1 1832028665 UHDRYBCGEWQSJS-MIFWMJNYSA-N 446.591 5.259 30 20 IKED C=CCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1ccc(Cl)cc1Cl 9825818 RKGKXJXEPMSYOW-DYVFJYSZSA-N 439.412 5.225 30 20 IKED C=CCn1c(SCC(=O)N2CCC[C@H]3CCCC[C@@H]32)nnc1-c1ccc(Cl)cc1 24142255 LUDCYSAQYFEJEA-APWZRJJASA-N 431.005 5.058 30 20 IKED COCc1c(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)sc2cccc(F)c12 303672894 KFWDAHPXZHWZFU-UHFFFAOYSA-N 429.357 5.144 30 20 IKED Cc1nc(NC(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)sc1SCC#N 409815157 AFRPEQCTHJCUCC-KRWDZBQOSA-N 447.944 5.619 30 20 IKED Cc1nn(C)c(C)c1[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)C(F)(F)F 429597446 KZLSGQUBTPXYOT-HXUWFJFHSA-N 444.482 5.093 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)CC1 434076447 ICLMIFVGVHSCJZ-HRQLPOJTSA-N 446.513 5.513 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1-c1ccccc1Cl)c1ccc(C#N)cc1 434733920 VGOOKKSRONRYGF-AWEZNQCLSA-N 438.314 5.348 30 20 IKED Cc1csc(C2(NC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CCC2)n1 435098537 LXOFCJAAVMMLTE-UHFFFAOYSA-N 432.549 5.298 30 20 IKED Cc1sc2ncnc(SCCC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c2c1C 436359434 JZNJNEDKVRQSJV-RTBURBONSA-N 436.606 5.089 30 20 IKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 438666396 USOBKVHBDJITAH-HNNXBMFYSA-N 446.507 6.324 30 20 IKED C=CCC[C@@H](NC(=O)N[C@@H]1CCOC2(CCSCC2)C1)c1ccc(C(F)(F)F)cc1 442239274 SZBAPBFMXULCRR-RTBURBONSA-N 442.547 5.457 30 20 IKED Cn1c([C@H](C#N)C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)nc2ccccc21 444436196 CTXXTPIUOWNZHC-CQSZACIVSA-N 425.366 5.222 30 20 IKED COc1ccc(C(C)=O)cc1CC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 460336219 BDYJYUGJYYGGFJ-UHFFFAOYSA-N 432.907 5.199 30 20 IKED Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3occc3COc3cccc(C#N)c3)cc2)n1 461570719 VRIMOJJVTLQRHI-IBGZPJMESA-N 440.503 5.024 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(c3noc(C4CC4)n3)CC2)cc1 462255583 FGOKYWRUIWVCJX-UHFFFAOYSA-N 429.480 5.022 30 20 IKED Cc1ccc([C@H]2OCCC[C@H]2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 463275086 IUDDLNZGGWUCRL-JWQCQUIFSA-N 439.515 5.225 30 20 IKED C=CCN(CCc1ccccc1)C(=O)CCc1nc2cc(Br)ccc2s1 463506034 QKOIGSGQLYCRBT-UHFFFAOYSA-N 429.383 5.249 30 20 IKED C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 463944228 GRRLSHFJIPYIPN-OAQYLSRUSA-N 441.531 5.098 30 20 IKED CC(C)(C(=O)N[C@H](C#N)c1ccc(Cl)cc1)c1csc(-c2cc(F)ccc2F)n1 464395590 BAIUCEFDIJIUPB-QGZVFWFLSA-N 431.895 5.400 30 20 IKED CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 464662257 IFJPUQVYTSKUGL-UHFFFAOYSA-N 443.488 5.078 30 20 IKED COCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cnn1-c1ccccc1 467837929 FWWOLZIYQIBROG-SFHVURJKSA-N 448.935 5.286 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 469662291 LXYZLGNCFWAAKS-OXJNMPFZSA-N 447.526 6.716 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccccc2O[C@H]2CCOC2)c1 470772336 JTMSOGHESYPUOZ-FQEVSTJZSA-N 434.879 5.424 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(F)cc(NCC(F)(F)F)c3)o2)cc1 473251432 YALJZHOOLREZLW-UHFFFAOYSA-N 433.361 5.096 30 20 IKED COCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c(Cl)c1 473479930 FBUGBUFPSBHTND-GOSISDBHSA-N 426.925 5.287 30 20 IKED CCOc1ccc(NC(=O)c2ccc(NC(=O)C[C@H](CC#N)c3ccccc3)cc2)cc1 474090965 VINGMTMNUTXIIE-NRFANRHFSA-N 427.504 5.364 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CNC(=O)c1sc2ccccc2c1Cl 476791551 KARWLLATJKIFDA-UHFFFAOYSA-N 426.969 5.775 30 20 IKED C=C(C)[C@H](NC(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1ccc(F)c(F)c1 480599767 FTCTZJJVWMBZRL-GTYOFVGBSA-N 440.515 5.712 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCc1nc(-c2cccc(Cl)c2)no1 481376986 VMFFDXLFRMCTKD-UHFFFAOYSA-N 439.928 5.039 30 20 IKED N#Cc1ccc(NC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1C(F)(F)F 483591699 YQBZTJMBSRVYSE-SFHVURJKSA-N 441.413 5.386 30 20 IKED COc1ccc2ccccc2c1-c1cc(CNC(=O)N[C@@H](CCC#N)c2ccccc2)on1 487934855 LMJFANAWMNGRNU-QFIPXVFZSA-N 440.503 5.348 30 20 IKED COc1ccc(-c2noc([C@H](C)Nc3cccc(OCc4cccc(C#N)c4)c3)n2)cc1 489700690 DKFZMAUDHNYAGD-KRWDZBQOSA-N 426.476 5.369 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)cc1 490766593 FOZAJABIYRXDET-MRXNPFEDSA-N 427.373 5.514 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1OCC(F)F 497529869 AZQXCGBMCSGQBJ-UHFFFAOYSA-N 425.819 5.112 30 20 IKED C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 501437961 RPWQJAJJVARDCK-QGZVFWFLSA-N 447.516 5.359 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3S[C@H](C)CC#N)s2)c(F)c1 503321330 KPSLVAKOXSTLSI-CYBMUJFWSA-N 441.553 5.913 30 20 IKED C=CCCc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 504266967 WLHMMBBXCLIHMH-UHFFFAOYSA-N 442.487 5.137 30 20 IKED Cc1onc(-c2cccnc2)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 507766110 JRUNVKKYBZCQEX-UHFFFAOYSA-N 430.851 5.615 30 20 IKED C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 508301525 AFHGMUJVMOEFET-IXDOHACOSA-N 439.943 5.021 30 20 IKED C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@H](c2ccco2)C1 508746528 KSYIHMUCFJAEOP-PXNSSMCTSA-N 442.947 5.045 30 20 IKED CCn1ncc2c(C(=O)Nc3cc(C#N)ccc3OC(C)C)cc(-c3ccccc3)nc21 509562859 AYABOTWLPCMQAO-UHFFFAOYSA-N 425.492 5.029 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCO[C@H](c4ccc(F)cc4)C3)c2)cc1 509903607 CPWUWILPQGKRDM-VWLOTQADSA-N 445.494 5.076 30 20 IKED O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F 510600367 LTNHNRKXMBEDFW-UHFFFAOYSA-N 444.234 5.486 30 20 IKED CC(C)c1nc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)nn1-c1c(Cl)cccc1Cl 510955527 YISLWGQAAZOOKD-GFCCVEGCSA-N 440.290 5.329 30 20 IKED C=CCOc1cccc(NC(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 510978771 ADFJUDDPTDALOW-UHFFFAOYSA-N 441.837 5.026 30 20 IKED N#Cc1ccc(Oc2ccc(-c3nc([C@H](F)c4ccc(C(F)(F)F)cc4)no3)cc2)nc1 512033286 VZXYXTNBROJYOX-LJQANCHMSA-N 440.356 5.873 30 20 IKED CC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1nc2c(c(-c3ccco3)c1C#N)CCC2 512771238 SULUIVBJMQGXCY-OAHLLOKOSA-N 431.517 5.024 30 20 IKED COc1ccc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1F 514013763 QXSOVASSWLCNJC-QGZVFWFLSA-N 435.474 5.318 30 20 IKED C=CCN(C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 518255348 LFKZXMVFXPTTHB-LJQANCHMSA-N 440.507 5.236 30 20 IKED C=CC1CCN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CC1 518438718 OTJHUIJHVHSWKK-CYVLTUHYSA-N 433.533 5.560 30 20 IKED CC(C)(c1noc([C@H](C#N)Cc2ccc(C#N)cc2)n1)c1cc(Br)ccc1F 519673817 ZEBHHYYSRCDJJZ-HNNXBMFYSA-N 439.288 5.019 30 20 IKED COCCSc1ccc([C@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 521746287 FFHGIBCTWAJRPC-IRXDYDNUSA-N 429.611 5.560 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N[C@H](c3ccccc3)c3nccs3)c2)c1 522303602 MMUUNHYRJRDROS-HSZRJFAPSA-N 425.513 5.113 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cccc(Oc2cnccn2)c1 522945059 KICJMLUCMSMVBJ-UHFFFAOYSA-N 438.462 5.435 30 20 IKED CC(C)(CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)Oc1ccccc1 523707609 LYUASMCLCOMWSW-UHFFFAOYSA-N 429.520 5.311 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H](c3ccccc3)C(F)(F)F)c2)cc1 523766403 IMHXIBHGIKVLAL-QFIPXVFZSA-N 439.437 5.757 30 20 IKED CCO[C@@H](C)c1nc(CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cs1 524211071 ISYGAHBBKNVUTQ-KRWDZBQOSA-N 435.549 5.067 30 20 IKED N#CCCN(C(=O)CCC(=O)N(Cc1cccs1)c1ccc(F)cc1)c1ccccc1 530794249 DGDXGKQMXHGJLE-UHFFFAOYSA-N 435.524 5.147 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCCc1nc2cc(Cl)ccc2s1 531775453 IXKFUWVNUVUARA-CYBMUJFWSA-N 430.986 5.566 30 20 IKED Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1 532512836 YLNQUSMPAIOQMN-QPPBQGQZSA-N 430.939 6.068 30 20 IKED CC[C@@H](C)n1ncc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1C1CC1 534083094 BFWSAIYSFPOEPQ-MRXNPFEDSA-N 427.508 5.108 30 20 IKED CC(=O)N1CC[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c2ccccc21 535301228 AGRHGLJFPDXNMI-XMMPIXPASA-N 440.503 5.278 30 20 IKED COc1ccc(CN(Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H]2CCCC[C@H]2C)cc1OC 537854164 ALKONCOGTWABNW-XMSQKQJNSA-N 446.551 5.206 30 20 IKED C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)CCCC(=O)Nc1ccccc1C#N 537931366 OCKMRZQDEREISS-AWEZNQCLSA-N 430.335 5.120 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc4ccccc4o3)c3cnn(C(C)C)c3n2)cc1 539682052 YPXPMYYRIXDBEI-IBGZPJMESA-N 435.487 5.619 30 20 IKED CN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 541658813 SKXBMNWNLLTPDZ-VWNXMTODSA-N 446.547 5.841 30 20 IKED Cc1sc2nc([C@@H](C)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)nc(N)c2c1C 542945484 RPNZPLBERHDSDM-HZPDHXFCSA-N 427.577 5.841 30 20 IKED CC(=O)N(c1nc(CN(Cc2ccc(C#N)cc2)C2CC2)cs1)c1cccc(C)c1C 543244895 LKCFIRGTVQFOAK-UHFFFAOYSA-N 430.577 5.481 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)c2)cc1 543916503 VBPBWSGWBCYMQU-SFHVURJKSA-N 440.425 5.043 30 20 IKED Cc1nc(CN2CCC(C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CC2)cs1 543917523 HVMXKBNWMAUKRN-GOSISDBHSA-N 444.604 5.080 30 20 IKED CC[C@@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccccc1OCC(=O)N(C)C 543963197 UHHLTFHWTJJXDH-FQRUVTKNSA-N 441.575 5.494 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccc(Cl)cc1)c1ccn(C)n1 547283159 ZRCLVYVKHBEGEZ-QVKFZJNVSA-N 439.972 5.236 30 20 IKED CC(C)(C)N(Cc1cccc(F)c1)C(=O)CNc1ccc(Oc2ccnc(C#N)c2)cc1 558592120 GBPMOFPXGDKROZ-UHFFFAOYSA-N 432.499 5.124 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(OC2CCCCC2)CC1 561008120 JJYZGJLCTHKGQW-UHFFFAOYSA-N 433.600 5.244 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCOc1cccc(Br)c1 561408849 UUCYWPVNXKWZPL-AWEZNQCLSA-N 434.359 5.044 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CSc1nccn1C(C)(C)C 561965098 YJMFPTIGZZFSAH-UHFFFAOYSA-N 436.556 5.283 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc2c(c1)nc(Cc1cccs1)n2C 565675882 YBRZOUPEXXUTAV-UHFFFAOYSA-N 430.533 5.137 30 20 IKED Cc1nc([C@H](NC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccc(Cl)cc2)no1 579991895 JPDIGVIQSSGWOJ-ORAYPTAESA-N 441.944 5.337 30 20 IKED COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)CO2 603758669 AESYNILLXOFINT-PGRDOPGGSA-N 432.907 5.194 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(CCN3CCCCC3)cc2)o1 604028295 QXWNBHFNSRITNS-UHFFFAOYSA-N 429.520 5.011 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)C2CC2)cc1Cl 604140280 YTRLJVKVBWRZLG-LADGPHEKSA-N 443.934 5.201 30 20 IKED CC(C)(C)OCc1cccc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1 608791654 NPXLOOOSDXLDNS-UHFFFAOYSA-N 430.508 5.382 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(Cl)cc2cccnc12 609388759 IPXJCKHMGYRNAK-OAHLLOKOSA-N 442.009 6.012 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCSc1ccc(Br)cc1 609428399 NASOTXJTTYTDFE-AWEZNQCLSA-N 435.412 5.964 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(OCc2ccccn2)c1 609436537 OUUOVTRLYBGFHT-SFHVURJKSA-N 432.549 5.377 30 20 IKED C[C@H](c1ccccc1)N1CCC(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 609711757 PSQRNHBALQNXEF-HXUWFJFHSA-N 440.547 5.698 30 20 IKED CN1C(=O)CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c2ccccc21 609975853 PPSCDIUVQVUFSB-UHFFFAOYSA-N 431.879 5.017 30 20 IKED C[C@@]1(C#N)CCCN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 612372223 KFBLOTZKCPBVPQ-NRFANRHFSA-N 446.866 5.015 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(NC(=O)C(C)(C)C)cc3C)n2)cc1 613314462 PZVWOFQNDWMMMK-MRXNPFEDSA-N 437.590 5.963 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2N1C(=O)[C@@H](c2ccc(Cl)cc2Cl)N(C2CC2)C1=O 619465329 PKSCPIQZCVAYPT-VQTJNVASSA-N 426.303 5.020 30 20 IKED O=C(Nc1ccc2c(c1)OC(F)(F)O2)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642464628 ZTWMQZDXNOZGJT-YUMQZZPRSA-N 434.283 5.039 30 20 IKED CC(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=S)Nc1ccc(C#N)c(Cl)c1 726471876 UXFIZUUQZANZDK-UHFFFAOYSA-N 440.827 6.764 30 20 IKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(F)c(F)c2)cc1 726571584 YECYLPYTQLXWJZ-UHFFFAOYSA-O 442.898 5.409 30 20 IKED CC(C)Oc1ccc(N2C(=O)/C(=C/c3cccc(OCCCC#N)c3)SC2=S)cc1 726801267 FWHVOZXENIRENL-QNGOZBTKSA-N 438.574 5.562 30 20 IKED CCN(C[C@H](C)C#N)Cn1nc(COc2c(C)cccc2C)n(-c2ccccc2)c1=S 726962195 SKXJWWKNENXZIU-GOSISDBHSA-N 435.597 5.038 30 20 IKED CCCCC[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 728145716 IMLLJWQCAZQXAU-FTJBHMTQSA-N 439.559 5.718 30 20 IKED N#Cc1cccc(COc2ccc(NC(=S)Nc3ccc(C#N)c(Cl)c3)cc2F)c1 728175475 VVABJJPDCVIQLR-UHFFFAOYSA-N 436.899 5.610 30 20 IKED N#CCOc1cccc(NC(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCCC3)c1 729320622 FCHVLYBDCHCZNL-UHFFFAOYSA-N 431.517 5.034 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 731400058 KRDUNQSSEHAHKX-KRWDZBQOSA-N 446.617 5.430 30 20 IKED N#CCOc1ccc(CC(=O)Nc2nc(-c3ccc4c(c3)Cc3ccccc3-4)cs2)cc1 731975312 DVCMDOSKZDZKMK-UHFFFAOYSA-N 437.524 5.465 30 20 IKED C=CC[C@H](NC(=O)N(CCCN(C)C)Cc1ccc(Cl)c(Cl)c1)c1ccncc1 734684694 WHPCNGWTILMICY-NRFANRHFSA-N 435.399 5.169 30 20 IKED COC(=O)c1cc(Cl)cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 736256422 KIGRRCPPIYHEQO-UHFFFAOYSA-N 436.920 5.543 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)N3CCC[C@H]3c3nc4ccccc4s3)c2)s1 740484142 IBKKUDHBVAFHII-FQEVSTJZSA-N 444.585 5.943 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1Cl 741060756 LKAUKJBOKVUHEY-DEOSSOPVSA-N 442.950 5.693 30 20 IKED C[C@@H](OC(=O)c1ccc(Oc2ccc(C(C)(C)C)cc2)nc1)C(=O)Nc1ccccc1C#N 741380326 WLTYHFBYTOIWMJ-QGZVFWFLSA-N 443.503 5.227 30 20 IKED CSc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1F 741847912 SNUCFWDVQJYWER-ALCCZGGFSA-N 448.491 5.863 30 20 IKED Cc1c(C(=O)/C=C/c2cc(Cl)ccc2OC[C@@H]2CCCO2)cnn1-c1ccc(C#N)cc1 743055544 DZZCOECLIWHIDA-FLVSMNSFSA-N 447.922 5.160 30 20 IKED COc1ccc(Cl)c(N2C(=O)/C(=C/c3ccc(N(C)CCC#N)cc3)SC2=S)c1 743285289 UUKYSXCZJVQLIK-UNOMPAQXSA-N 443.981 5.104 30 20 IKED FC(F)(F)c1ccc2sc(NN=Cc3sc(N4CCCC4)nc3Cl)nc2c1 743444565 PAQLJCZOKPVFHE-UHFFFAOYSA-N 431.896 5.471 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 743447982 YTVYPGPKOGZUNL-GXFFZTMASA-N 440.352 5.206 30 20 IKED C=CCOc1ccccc1C(=O)O[C@H](C)C(=O)N1c2ccccc2Sc2ccccc21 744677669 NAZODTAPLQFJTK-QGZVFWFLSA-N 431.513 5.626 30 20 IKED COc1cc(/C=C\C(=O)c2cnn(-c3ccccn3)c2C)ccc1OCc1ccccc1 748442199 QAOKQRYEVJJQLQ-QBFSEMIESA-N 425.488 5.059 30 20 IKED N#C[C@@H](C(=O)CCSc1ccnc2cc(Cl)ccc12)c1nc2cc(F)ccc2s1 751839406 LJAMPBIEEJUEHC-HNNXBMFYSA-N 441.940 5.996 30 20 IKED C[C@@H](C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl)c1cccc(C(=O)c2ccccc2)c1 764301606 DGMFBQDKJHEECO-CQSZACIVSA-N 433.851 5.093 30 20 IKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccco2)n(Cc2ccco2)c1=S 764897221 HRXRPPNYWYXSFV-UHFFFAOYSA-N 433.537 5.057 30 20 IKED CC(C)(C)CN(CCC#N)Cn1nc(-c2ccccc2F)n(Cc2ccco2)c1=S 764976989 VCGSZTLNALEWHM-UHFFFAOYSA-N 427.549 5.081 30 20 IKED CC(C)(C)OC(=O)NCc1noc(-c2cccc(Oc3cccc(Cl)c3C#N)c2)n1 766903751 IQCUXZAFWXRFQE-UHFFFAOYSA-N 426.860 5.079 30 20 IKED COC1CCN(c2ccc(NCc3ccc(O[C@H](C)C#N)cc3)cc2C(F)(F)F)CC1 770564108 JXTYWJVZWCFDAU-MRXNPFEDSA-N 433.474 5.224 30 20 IKED Cc1ccc(N(CCCC(C)(C)C#N)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 771180385 MHJUQCXFWGYMQQ-UHFFFAOYSA-N 449.960 5.390 30 20 IKED O=C1C/C(=C/c2cnc(-c3ccc(Br)cc3)s2)C(=O)c2ccccc2N1 774147014 XWKXWBWXVLUJSY-LCYFTJDESA-N 425.307 5.181 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)NCCCCSc1ccccc1Br 780667424 HXPCSDJPFOPLFN-HNNXBMFYSA-N 448.386 5.434 30 20 IKED CCCc1ccc(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 782937691 BLAIXAQRIGQYNV-UHFFFAOYSA-N 435.471 5.241 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(C(C)=O)cc3)n2)cc1 783362196 QYHJPDGDHWXKDC-OAQYLSRUSA-N 434.517 5.057 30 20 IKED CO[C@H](C)c1nc(COC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cs1 784428284 NQIPOXIDFXSKSW-CYBMUJFWSA-N 428.897 5.525 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(SCc3ccccc3C(C)(C)C#N)o2)C1 795259392 PFUPDITVQIDTSN-MRXNPFEDSA-N 442.585 5.278 30 20 IKED C[C@@H](OC(=O)C[C@@H](CC#N)c1ccccc1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 795980939 AHFAARLCSVCKFI-TZMCWYRMSA-N 439.726 5.605 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F 797447427 AVYIKNFAZSMJGP-HNNXBMFYSA-N 446.569 5.046 30 20 IKED N#C[C@@H](C(=O)CO[C@@H]1CCCc2ccccc21)C(=O)Nc1ccccc1Oc1ccccc1 797548236 DJPMUGQPNGAUIU-WIOPSUGQSA-N 440.499 5.220 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)C2(c3ccc(Br)cc3)CCOCC2)s1 797568209 GLCXWBLUCLEBCW-INIZCTEOSA-N 447.398 5.128 30 20 IKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)sc2cc(F)ccc12 805854223 RWPHWHPMMFOFET-OAHLLOKOSA-N 434.464 5.625 30 20 IKED CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2ccnc(O)c2)cc1 806555805 IQNZVHYSUHMVAO-RAXLEYEMSA-N 425.488 5.323 30 20 IKED O=C1/C(=C\c2ccc(/C=C3/Cc4nc(Cl)ccc4C3=O)cc2)Cc2nc(Cl)ccc21 806578043 LJWRNNFWAJUBEB-VULZFCBJSA-N 433.294 5.428 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)cc1 808815682 GUGZTSCHORIJOA-HZFUHODCSA-N 447.538 5.938 30 20 IKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC(=O)c1ncc(C#N)cc1C 815925522 HPSMLMNWNNBINT-UHFFFAOYSA-N 439.393 5.060 30 20 IKED N#Cc1ccc(N2CCC(c3nc(-c4ccc(N5CCCCC5)cc4)no3)CC2)c(F)c1 904614765 MDTVQIVHZIVERS-UHFFFAOYSA-N 431.515 5.122 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cn(Cc2ccccc2)c2ccccc12 916916285 RAJGOOXTOPCYLS-XMMPIXPASA-N 443.506 5.804 30 20 IKED CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(COc2ccccc2C#N)o1 917095285 IBHIVPBVGFDBIK-UHFFFAOYSA-N 428.410 5.411 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cc(N2CCCC2=O)ccc1F 917797836 FQICCNUWBODFAM-UHFFFAOYSA-N 431.492 5.228 30 20 IKED C[C@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 918414362 BIZZPBVKWOIGQC-UZUQRXQVSA-N 431.923 5.154 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 918463310 QEEJLNLHIACBMH-UHFFFAOYSA-N 428.492 5.264 30 20 IKED CCn1cc(C(=O)/C=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cn1 920991464 JMSAYHFQQVYMSR-UXBLZVDNSA-N 441.325 5.149 30 20 IKED CCn1c(O)nc2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)cc21 1544959634 QCFZZDCPJDOWOM-UHFFFAOYSA-N 432.867 5.331 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)cc(OC)c3)CCC2)cc1 1786679964 AJYWSEINJDWHEH-UHFFFAOYSA-N 444.984 5.016 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnn(C(C)(C)C)c3)cc2)CCC1 1787070444 NXPMTLPWMNSDJJ-JOCHJYFZSA-N 434.584 5.154 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc4n[nH]cc4c3)cc2)CCC1 1788435855 YBDMVDOEDICMRG-UHFFFAOYSA-N 430.552 5.303 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnnc4ccccc34)cc2)CCC1 1788957597 HYWYKXCHTYTSDH-UHFFFAOYSA-N 442.563 5.370 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C)nc3)CCC2)cc1 1789453238 QLBHESKBBGXPPY-DEOSSOPVSA-N 431.580 5.225 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4c(Cl)ccc(Cl)c4O)cc3)CCC2)C1 1790757240 GTERIFRNDHBILF-UHFFFAOYSA-N 445.346 5.413 30 20 IKED C=CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1Oc1cccc2ccccc12 1800812832 ZOFCBKVLJYDXEE-KOUNCHBCSA-N 440.543 5.460 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)s2)n[nH]1 1816399162 HTHJMTDRRMUBEB-HOCLYGCPSA-N 432.977 5.199 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccsc2)n[nH]1 1817519808 ZQALERBMFNISKX-LJQANCHMSA-N 428.602 5.089 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3[nH]c(C)cc3c2)n[nH]1 1821582493 SUYOWYJQSRAMNX-QFIPXVFZSA-N 447.583 5.498 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(F)cc2F)CC1 1830511404 QSRKYMWLOYGZSW-JPYJTQIMSA-N 448.529 5.106 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1sc3ccccc3c1Cl)C2 1844202030 KAJGFAFLHCHUFB-MRXNPFEDSA-N 428.985 5.140 30 20 IKED C=CCn1c(SCC(=O)Nc2nc(-c3cccs3)cs2)nnc1-c1ccccc1 19851693 ZMCMSCUBBZZODN-UHFFFAOYSA-N 439.591 5.047 30 20 IKED C=CCn1c(S[C@H](C)c2nc3ccccc3n2C(F)F)nnc1-c1cccc(C)c1 30598323 FJNXECWESRLLAP-OAHLLOKOSA-N 425.508 6.038 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1 32178973 WOHQXFNCDMKFJQ-UHFFFAOYSA-N 428.513 5.634 30 20 IKED Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C/C(=O)c1cccc(N2CCOC2=O)c1 60095119 VINCNVXDFUHXDN-CMDGGOBGSA-N 442.302 5.340 30 20 IKED C=CCN(CCc1ccccc1)C(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C 62399208 UHCGLCOUUNWIIR-UHFFFAOYSA-N 428.536 5.902 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 303274980 IKSFVIYDYNHDQE-NSHDSACASA-N 432.389 6.228 30 20 IKED C=CCc1ccc(OCC(=O)N[C@H](C)c2sc(-c3ccc(F)cc3)nc2C)c(OC)c1 303298085 YGOALJITVMMWMN-OAHLLOKOSA-N 440.540 5.251 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 303341115 LOJAAJNEUIOUMY-CVDCTZTESA-N 443.572 5.581 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CCOC4(CCCCC4)C3)cc2F)c1 426083924 FNDUZXJXAOUMED-OAQYLSRUSA-N 437.515 5.280 30 20 IKED C=CC[C@H](C(=O)NC1CCC(NC(=O)[C@H](CC=C)c2ccccc2)CC1)c1ccccc1 427629227 LRWVWNJHWMHDMB-TXFWVUOCSA-N 430.592 5.250 30 20 IKED COc1ccc(C)cc1-c1csc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)n1 428296165 OARBMVIJXWXBLB-UHFFFAOYSA-N 443.532 5.157 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c1-c1ccccc1 428338729 RSDWIBFMNMPECB-UHFFFAOYSA-N 432.487 5.055 30 20 IKED Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)nc12 429586210 BFANIYMZMVVROF-MRXNPFEDSA-N 447.838 5.110 30 20 IKED Cc1noc(C[C@H](NC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c2ccccc2)n1 429610860 MHXPUAOATUUBBJ-QFIPXVFZSA-N 439.475 5.148 30 20 IKED COc1cccc(Cl)c1-c1noc(C)c1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 430600086 WZTNCFKUCYGVRG-GFCCVEGCSA-N 429.929 5.556 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cc1C 430612535 SNDRYIUADYGRLW-GOSISDBHSA-N 431.565 5.325 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccccc1Oc1ccccc1Cl 432596038 ZLMMMCYEEKDNSS-UHFFFAOYSA-N 433.895 5.751 30 20 IKED C=CCC[C@@H](NC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1)c1ccccc1 435265518 GGJRCTUZZIBRAT-OAQYLSRUSA-N 434.609 5.348 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1csc(-c2ccc(Cl)s2)n1 436346033 ZQTKUAWXTGXZOF-DLBZAZTESA-N 427.982 5.366 30 20 IKED C[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCN1Cc1ccccc1 438029256 ISVHWDLIEWIWEJ-OAQYLSRUSA-N 440.547 5.479 30 20 IKED CCOc1cccc2[nH]cc(CC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c12 438047068 FHMYVKUQTICMMI-UHFFFAOYSA-N 439.515 5.393 30 20 IKED C=CCOc1cccc(NC(=O)C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)c1 438667254 UASJXOITCKJTAR-UHFFFAOYSA-N 444.862 5.136 30 20 IKED CCCOc1cc(C)ccc1NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 439379647 LDXARICBRKKOIJ-UHFFFAOYSA-N 429.476 5.025 30 20 IKED CCOc1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1Br 444282925 PEEWLVSHRSBYGX-UHFFFAOYSA-N 426.314 5.359 30 20 IKED N#CCCn1ncc(C(=O)Nc2ccnc(Oc3ccc(F)cc3F)c2)c1-c1ccccc1 448445752 IOIXNZCJUPAJFR-UHFFFAOYSA-N 445.429 5.182 30 20 IKED Cc1cc(Cl)c2ccccc2c1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 462865428 ZTTIOKMSZSBKMA-UHFFFAOYSA-N 446.938 5.556 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nc(C(C)(C)C)no1 466446688 RMZQGHIJWQGATG-RDTXWAMCSA-N 437.931 5.559 30 20 IKED CC[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nc(C(F)(F)F)cs1 467704307 INVRPGRIKIFLAK-KRWDZBQOSA-N 446.454 6.099 30 20 IKED N#Cc1cccc(-c2nnc(CN3CCCCC[C@@H]3c3ccc(C(F)(F)F)cc3)o2)c1 471005526 KWBMVXWMECQDGF-HXUWFJFHSA-N 426.442 5.744 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC2CCN(C3CCCCC3)CC2)cc1 473529918 IJHLOSNCTYYARW-UHFFFAOYSA-N 433.621 5.377 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)Cc1cc2ccccc2o1 473708819 CBLAUQUICPZLLT-UHFFFAOYSA-N 439.471 5.002 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCc2cc(-c3ccccc3)oc2C1 477062543 CHWQCZQZDMWMQH-GOSISDBHSA-N 431.561 5.338 30 20 IKED N#Cc1ccc(CN(C(=O)c2cccc(NC(=O)CCCc3cccs3)c2)C2CC2)cc1 477153912 YHSUOXLEJFXXHN-UHFFFAOYSA-N 443.572 5.386 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1nnc(Cc2cccc(OC)c2)s1 480552304 LSDNKJZZKDOSPC-UHFFFAOYSA-N 434.974 5.073 30 20 IKED C=C(C)Cn1c(S[C@H](C)C(=O)Nc2c(CC)cccc2CC)nnc1-c1ccncc1 481374677 PZENOCZOUHUPDL-QGZVFWFLSA-N 435.597 5.160 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]3c3cccc(F)c3)cc2F)c1 481575623 ZJAUBVDSGIYIOP-HSZRJFAPSA-N 433.458 5.784 30 20 IKED CCCOc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c(OC(C)C)c1 482571475 BLVPWBNDPOSCNB-QGZVFWFLSA-N 427.451 5.497 30 20 IKED CCc1onc(-c2ccc(Br)cc2)c1C(=O)Nc1sc(C)c(C)c1C#N 483079677 ZQCKRMPSXKUEAC-UHFFFAOYSA-N 430.327 5.469 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1 483364171 BTZIDDGKIWECJW-FQEVSTJZSA-N 431.923 5.643 30 20 IKED Cc1cc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)ccc1NC(=O)c1ccco1 483436806 IHOURPPFEFIZHN-UHFFFAOYSA-N 437.455 5.757 30 20 IKED COCCN(C[C@@H]1CC=CCC1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 484188138 FNLDVRYYFKBPGQ-JOCHJYFZSA-N 433.552 5.168 30 20 IKED CCc1c(NC(=O)N[C@H](C)c2ccc(C#N)cc2)cnn1-c1ccc(C(F)(F)F)cc1 484822032 PPHXJGIEHWQALX-CQSZACIVSA-N 427.430 5.208 30 20 IKED N#CC1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2c(F)cccc2Cl)CC3)CC1 489408850 OHXASSXXHRTTDA-SAPNQHFASA-N 445.925 5.890 30 20 IKED N#Cc1ccc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(Cl)c1 494635821 KILLIHVMUNASDE-UHFFFAOYSA-N 443.256 5.134 30 20 IKED N#CCN(C(=O)c1cc2cc(Br)cc(Br)c2o1)c1ccccc1 495531568 SZXWVKKRENTFCL-UHFFFAOYSA-N 434.087 5.128 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(OC2CCCCC2)CC1 498003487 UZAQEWJWBKPJSC-UHFFFAOYSA-N 433.552 6.005 30 20 IKED N#CCCCOc1cccc(NC(=O)c2oc3ccccc3c2CSc2cccs2)c1 498774458 HEMHXNYJOCJTPQ-UHFFFAOYSA-N 448.569 6.721 30 20 IKED COc1cc(Br)ccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 501279854 ALRKIPKWPIRFSN-OAHLLOKOSA-N 447.741 5.725 30 20 IKED C=CCn1c(SCCO[C@@H]2CCCCO2)nc2scc(-c3cccs3)c2c1=O 502712479 RDGCQPLELTWWRU-MRXNPFEDSA-N 434.608 5.008 30 20 IKED Cc1ccc(OCc2nc(CC(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)cs2)cc1 505947395 HMBALFIHUHJDLE-LJQANCHMSA-N 446.359 5.261 30 20 IKED C=CCn1c(SC[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)nnc1-c1cccc(C)c1 508387355 OPCCMALWHYJBEW-DYESRHJHSA-N 444.000 5.324 30 20 IKED COCCN(Cc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510059053 XDWBJOYXQFWOIK-QHCPKHFHSA-N 433.939 5.676 30 20 IKED Cc1cc(OC(F)F)c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)s1 510869302 VZKJUFOHBRWSEX-UHFFFAOYSA-N 436.427 5.935 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(CN4CCSCC4)cc3)cc2)cc1 511750788 DJOBCQLMQCNDRA-UHFFFAOYSA-N 429.545 5.152 30 20 IKED N#CCCN(Cc1ccc(OCc2ccccc2)c(Br)c1)Cc1ccccn1 513746294 SMDVTIWGQNLFQT-UHFFFAOYSA-N 436.353 5.339 30 20 IKED Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)N1CCC(C#N)(c2ccccn2)CC1 517091413 SQKITYLABHYXJL-OAQYLSRUSA-N 430.577 5.002 30 20 IKED CC(C)(C)c1ccc(C2(CNC(=O)C(=O)Nc3ccccc3SCCC#N)CCC2)cc1 517463685 KKQVVBXNQHHFPR-UHFFFAOYSA-N 449.620 5.166 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 517520380 BQRFADCKOHQRNG-KPZWWZAWSA-N 431.970 5.176 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)c2)cc1 519125513 OLMQFJUIQISETG-UHFFFAOYSA-N 439.496 5.917 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)c(C)c2c1 519485350 VLIOMBYGSJTYKQ-SFHVURJKSA-N 429.303 5.564 30 20 IKED C=CCN(C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1)c1nc(-c2ccccc2)cs1 519951420 SAKBPZKDXMATSN-UHFFFAOYSA-N 446.620 5.173 30 20 IKED CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 520381145 VGQLFUDDRLCAAW-UHFFFAOYSA-N 425.532 5.417 30 20 IKED CCN(C[C@H]1COc2ccccc2O1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 520601305 MRKHFYUOKXYCJA-QFIPXVFZSA-N 429.476 5.044 30 20 IKED N#C[C@@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2Cl)CCC3)CCO1 520684593 WBSLPRIGOQSBHI-GDLUXTLDSA-N 443.934 5.130 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)s2)cc1 521702819 LLSIYCZWVJHJLY-LJQANCHMSA-N 432.593 5.980 30 20 IKED C=CCOc1ccccc1CNC(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 522063712 YMUUZSFQCMHJSP-UHFFFAOYSA-N 427.957 5.336 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)N[C@H](c1ccccc1)C(F)(F)F 522427127 ZGSFYZUXBQSVFX-CYBMUJFWSA-N 426.288 5.315 30 20 IKED CCOc1cccc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 523222030 KAWJKYZRJBEETJ-IBGZPJMESA-N 431.511 5.569 30 20 IKED Cc1cccc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C 523770484 WSHBANFTCNQEDU-WZONZLPQSA-N 445.950 5.428 30 20 IKED CC(C)(C)c1nc(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cs1 524392375 FINRVSCFJMDKDK-UHFFFAOYSA-N 439.968 5.726 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 530454878 BOWBOZCTSZYBFR-UHFFFAOYSA-N 431.502 5.807 30 20 IKED COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 537890254 ATRVLXWPIDWNKT-XDHUDOTRSA-N 432.545 5.224 30 20 IKED Cc1cc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)nn1CCC#N 538617607 VMFFNGJCVMIBIU-LJQANCHMSA-N 432.528 5.253 30 20 IKED CC(C)C[C@@H]1C[C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCO1 539718407 TWHRSMUHBTZTPD-SJBKTWHCSA-N 425.960 5.711 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1 540959187 SQCPVMCEZSHILQ-QGZVFWFLSA-N 446.576 5.190 30 20 IKED C[C@@H](NC(=O)Nc1ccc(-c2csnn2)cc1)c1ccc(-c2cccc(C#N)c2)cc1 541993252 DCWUOTAXXGADNE-MRXNPFEDSA-N 425.517 5.626 30 20 IKED Cc1c(C#N)c(NC(=O)CCN[C@@H](C)c2oc3ccccc3c2C)n(Cc2ccco2)c1C 543515633 FGZXTRBLDQDKDS-SFHVURJKSA-N 444.535 5.352 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)c2)cc1 543916502 VBPBWSGWBCYMQU-GOSISDBHSA-N 440.425 5.043 30 20 IKED Cc1ccccc1C(NC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccccc1C 544867190 GTDICCWJDXOVMU-UHFFFAOYSA-N 443.572 5.154 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@H](c4ccccc4)CC3)c2)c1 550725613 SDUXZRAKUHOMMD-QFIPXVFZSA-N 438.531 5.612 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(OCC2CC2)CC1 555244492 NKAPZTOSKUCZHA-FQEVSTJZSA-N 446.595 5.543 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(C)(C)c1ccc2c(c1)OCO2 555820234 MOHMMNJFAGCYPW-UHFFFAOYSA-N 428.488 5.091 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCCC[C@@H]3c3nnc(C4CCC4)o3)c2)c1 558262752 HPLJWZOTPQEQNP-HSZRJFAPSA-N 442.519 5.155 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3cc(Br)c(F)cc3F)cc2)ccn1 558558290 RIDQZVOOOUOXRT-UHFFFAOYSA-N 430.208 5.039 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(C)(C)c1csc(-c2cccs2)n1 581960752 NMJWPMUWNSCWQG-UHFFFAOYSA-N 428.627 5.532 30 20 IKED N#Cc1cc(C(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)cnc1C(F)(F)F 583337790 JVHWRHNCXLJPDB-CYBMUJFWSA-N 427.348 5.011 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCCC[C@@H]3c3nnc(C4CCC4)o3)cn2)cc1 588993169 CPUGKLQXZVLELH-HXUWFJFHSA-N 444.495 5.155 30 20 IKED COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C3(C#N)CC3)cc2)c(OC)c1 602758453 KCWWYYXXDLNGPH-DEOSSOPVSA-N 425.488 5.030 30 20 IKED FC(F)Oc1cccc(Cl)c1CN[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 602902460 MKIJWWNVBRUEPA-MYJAWHEDSA-N 425.747 5.941 30 20 IKED O=C(NCCc1ccc(F)cc1Cl)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603542337 QQCYEPINLNFOQX-PJXYFTJBSA-N 434.783 5.230 30 20 IKED N#Cc1c(NC(=O)CCCc2nnc(-c3ccccc3)o2)sc2c1-c1ccccc1CC2 603992801 ZNSYWQRKAAIZRN-UHFFFAOYSA-N 440.528 5.397 30 20 IKED CCOc1cccc(/C=C2/CC(O)(C(F)(F)F)C/C(=C\c3cccc(OCC)c3)C2=O)c1 606372457 UFKQLUWTDJQQIR-UHWBUFEVSA-N 446.465 5.607 30 20 IKED O=C(NCCc1ccccc1F)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 608762987 ZOZHXLOBCIQKHE-UHFFFAOYSA-N 445.338 5.022 30 20 IKED Cc1ccc(-c2nc(CCNC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)co2)cc1 609517185 RCHMMKLLCCPALB-UHFFFAOYSA-N 437.499 5.481 30 20 IKED N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCC(c3nc(-c4ccccc4)cs3)CC2)cc1 609521888 WCHJXLKUSUJZNW-XMMPIXPASA-N 442.588 5.057 30 20 IKED N#CCCN(C(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1)c1ccc(F)cc1 609521929 BZIKYCZMSGNZNQ-UHFFFAOYSA-N 428.442 5.378 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1sc(-c2cnn(C)c2)nc1C 609641917 KPOKTZFZSWTCLZ-UHFFFAOYSA-N 445.523 5.018 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@H](c3ccccc3)C[C@H]2C)cc1 609681908 CXCLFANRQBAFHP-WIYYLYMNSA-N 427.504 5.769 30 20 IKED CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccccc1Sc1ccccc1C#N 609865702 AXNCBKLZNTZBKQ-HJPURHCSSA-N 436.964 5.869 30 20 IKED C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 609927770 LWXHZGWOXJCQEA-CVDCTZTESA-N 443.522 5.881 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cnc(-c2ccncc2)s1 610170981 FKFAQJXCIASEAO-UHFFFAOYSA-N 428.492 5.371 30 20 IKED CC(C)Oc1ccc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1C#N 610936517 XLLWZJOBDMCQAX-CHWSQXEVSA-N 437.384 5.376 30 20 IKED C[C@@H](Oc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cn1)c1ccccc1 613404440 RAHRUNWLSXXRGW-QAPCUYQASA-N 432.430 5.456 30 20 IKED Cc1cc(C)n(-c2ccc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2)n1 613404971 YHJZSWZKCHJUJW-KRWDZBQOSA-N 440.450 5.608 30 20 IKED N#Cc1ccc(Sc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)c([N+](=O)[O-])c1 619694677 QXYSJVYUHVIKJH-UHFFFAOYSA-N 447.907 5.578 30 20 IKED O=C(NCc1nccc(C(F)(F)F)n1)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 622704653 NPQRRQVGSQXWEG-UHFFFAOYSA-N 443.322 5.250 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N2CC[C@](F)(c3cc(C)cc(F)c3)C2)c1C(F)F 669685209 ZMIPWLNTBZYZOB-GOSISDBHSA-N 437.359 5.018 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(C(F)(F)F)ccc1F 675439285 WQRANVSTHDMFFT-RKDXNWHRSA-N 425.266 5.484 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1cc2c(C(F)(F)F)cc(O)nc2o1 678215335 LKAIBKKVKOGOJM-GFCCVEGCSA-N 436.283 5.115 30 20 IKED C[C@H](C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1c(Cl)cccc1Cl 726033705 ZNYCZJBSQZBOME-WDEREUQCSA-N 437.348 5.089 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccccc2SC(F)F)cc1 726071948 SJWXFYNGFZSVEI-UHFFFAOYSA-N 441.478 6.246 30 20 IKED C=CCc1cc(C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)cc(OC)c1OC 726377417 YNJZWNCAMKFQCK-UHFFFAOYSA-N 445.519 5.006 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)cc2)[n+]2ccc3c(c2)CCCC3)c1 726572393 BQMZSTVCBSNDLS-UHFFFAOYSA-O 445.995 5.811 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(F)cc2F)[n+]2ccc(C(C)(C)C)cc2)c1 726573027 WJWOJSWRUVVBKQ-UHFFFAOYSA-O 449.546 5.854 30 20 IKED Cc1ncc(CO)c(C=Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)c1O 726739753 IFEZAFJWTLCMCT-UHFFFAOYSA-N 449.894 5.226 30 20 IKED N#CCCN(Cc1ccco1)C(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 727756603 PRMIGOSTWMGJNM-UHFFFAOYSA-N 434.495 6.082 30 20 IKED C#Cc1cccc(N(Cc2cccs2)C(=O)CCCOc2ccc3c(c2)CCC(=O)N3)c1 728182155 YPIBBCAYAJUEPV-UHFFFAOYSA-N 444.556 5.007 30 20 IKED Cc1cc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c(C)n1-c1ccc(C#N)cc1 728267995 FVSUYNZXEHGNRM-UHFFFAOYSA-N 445.950 5.354 30 20 IKED O=C(/C=C\c1nccn1CC(F)(F)F)c1ccc(-c2ccccc2Br)s1 728698371 IFJVPNKDYNNMCZ-YVMONPNESA-N 441.272 5.833 30 20 IKED Cc1ccc(S[C@H](C(=O)OCC(=O)Nc2sccc2C#N)c2ccccc2)c(C)c1 730331460 ISQYRZSHWBQNRJ-NRFANRHFSA-N 436.558 5.252 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1COc1ccc(Cl)cc1 731116378 NLGZRRKWLGTFKH-FUHWJXTLSA-N 429.973 5.667 30 20 IKED COc1cc(C(=O)/C=C/c2cccc(OCc3ccccc3C#N)c2)cc(OC)c1OC 731318196 HAVRRJJLOFGTTP-VAWYXSNFSA-N 429.472 5.059 30 20 IKED CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 733084053 WBVWTTKOLXHRRJ-ZHACJKMWSA-N 436.493 5.144 30 20 IKED C=CC[C@@H](NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccncc1 734359758 AQRHJYLJAVQMBE-PKTZIBPZSA-N 433.939 5.030 30 20 IKED COc1ccc(-c2csc3ncnc(NN=C(C)c4c(Cl)nc5ccccn45)c23)cc1 737422139 CQDVKYQIXJZWLK-UHFFFAOYSA-N 448.939 5.504 30 20 IKED COc1ccc(OCc2nc(/C=C\C(=O)c3cccc(-c4ccncc4)c3)cs2)cc1 741473930 VBXBHEPGWZFPEZ-YHYXMXQVSA-N 428.513 5.689 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)CCCNC(=O)OCc2ccccc2)cc1F 742964169 ZAISZJDGLLTUCJ-UHFFFAOYSA-N 447.466 5.135 30 20 IKED C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 743953041 NNLBJAFSHKVSBD-YWWLGCSWSA-N 441.506 5.029 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1CCC(c2ccccc2)CC1 745502289 XJGCDWULERNJSI-PELRDEGISA-N 436.577 5.537 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(CC)[C@@H](Cc2ccc(F)cc2)C(C)C)c1 745821977 WDSSATDZCZJWML-VWNXMTODSA-N 425.548 5.305 30 20 IKED COc1cc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1SC 746763327 DRPPJSLRKFDVAS-QFIPXVFZSA-N 431.561 5.736 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc(C(=O)OC)cc1)C(=O)c1ccccc1 747149735 GPAFCUACUUVBBD-HKOYGPOVSA-N 441.527 5.503 30 20 IKED Cc1nn(Cc2ccccc2)c(C)c1C=NO[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 748100685 YRZPPHFOYAENAA-QGZVFWFLSA-N 435.915 5.363 30 20 IKED COc1cc(/C=C/C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1OCC(=O)O 750916050 KKGSBFGQWSGXDE-DUXPYHPUSA-N 448.315 5.092 30 20 IKED O=C1/C(=C\c2cnc(-c3ccccn3)s2)CC/C1=C/c1cnc(-c2ccccn2)s1 753135082 NHYNJDIUYAELOO-NFLUSIDLSA-N 428.542 5.554 30 20 IKED Cc1ccnc(Oc2ccc(NC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)cc2)n1 753904890 KSMLRGLYFFJSPS-UHFFFAOYSA-N 441.516 5.499 30 20 IKED Cn1c(CC(=NOCc2ncc(-c3cccc(F)c3)o2)c2ccccc2)nc2ccccc21 754292393 LFGVCKAXSDYZHY-UHFFFAOYSA-N 440.478 5.531 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3ccc4ccc(Cl)cc4n3)n2)cc1 759268025 LCZDSYWDQFAQGC-WUQYLLKWSA-N 445.931 5.910 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 760789065 DQADAKDMXSRAMB-UHFFFAOYSA-N 435.402 5.052 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCCCC[C@H]3C[C@@H](O)c3ccco3)c2)cc1 762985002 CCXPUSDSKSHFHB-XUZZJYLKSA-N 430.504 5.452 30 20 IKED CCCCn1ccnc1-c1cccc(NC(=O)NCc2cccc(O[C@H](C#N)CC)c2)c1 764225274 FBJJXKCGBBFTEF-QFIPXVFZSA-N 431.540 5.353 30 20 IKED N#Cc1cc(NC(=O)c2sc3cccc(Cl)c3c2Cl)c(Cl)c([N+](=O)[O-])c1 764301797 KTZBAYZAIAKERQ-UHFFFAOYSA-N 426.668 5.894 30 20 IKED C=CCN(Cc1ccc(Cl)s1)Cn1nc(-c2ccncc2)n(CC(=C)C)c1=S 764860800 PAPMQSXWDNSWJI-UHFFFAOYSA-N 432.018 5.413 30 20 IKED N#CCCN(C(=O)COC(=O)c1sc2ccccc2c1Cl)c1cccc(Cl)c1 766134546 SPAHEBICLFUOSO-UHFFFAOYSA-N 433.316 5.312 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@@H](NCc1cc(Cl)ccc1OCC#N)C(F)(F)F 768741642 PBPPDFHAEYGARB-OAQYLSRUSA-N 448.876 5.438 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)ccc1OC 772983806 APSXRDBPSOUYRN-RPWUZVMVSA-N 436.502 5.728 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 777941190 CRSXDTOKUGUSEV-YCRPNKLZSA-N 440.469 5.460 30 20 IKED C=CCc1cc(CNCc2ccc(Br)c3cccnc23)cc(OC)c1OC 778084148 FQHFQBBVPMPZDV-UHFFFAOYSA-N 427.342 5.033 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2cc3ccccc3s2)cs1)c1ccc(F)cc1F 780187495 CRZPFVDOLQVONF-VQHVLOKHSA-N 440.496 6.217 30 20 IKED N#C[C@H](C(=O)CCOc1ccc2ccccc2c1)c1nc(O)c2c3c(sc2n1)CCCC3 780301949 LHOKARMBVXYKGP-LJQANCHMSA-N 443.528 5.074 30 20 IKED Cc1nnc(SCc2c(C(=O)OC[C@H](C#N)Cc3ccccc3)oc3ccccc23)s1 783110565 NAJGOBYIRODPJH-KRWDZBQOSA-N 449.557 5.424 30 20 IKED N#Cc1cccc(COc2ccc(NCc3nc(Cc4cccc(F)c4)no3)cc2F)c1 783205310 VVPCLFKGKHLIJD-UHFFFAOYSA-N 432.430 5.001 30 20 IKED CCCCCCCCOCc1cccc(NC(=O)N2C[C@@H](C)OC3(CCOCC3)C2)c1 790496613 WPRAFBGNVHZJIO-OAQYLSRUSA-N 432.605 5.366 30 20 IKED N#C[C@@H](C(=O)Cc1cccc(OCc2cccc(Cl)c2)c1)c1cnc2ccccc2n1 792102073 VRUVRXWNWROHTK-OAQYLSRUSA-N 427.891 5.281 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cc(Cl)c(Cl)cc2OC)ccc1OC 792451378 AODYSWPNLDCWHI-ZDUSSCGKSA-N 438.311 5.013 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(Cl)c2Br)cc1C#N 792502154 HUWJUYVYDAGXOW-UHFFFAOYSA-N 437.681 5.187 30 20 IKED CC(C)c1c(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)cnn1-c1ccccc1Cl 792542869 TVGSEYWWPGHZMY-UHFFFAOYSA-N 444.278 5.335 30 20 IKED COc1ccc(-c2cc(NCc3nnc(-c4cccc(C#N)c4)o3)ccc2OC(F)F)cc1 797854337 ZROBVGFQRIJDDZ-UHFFFAOYSA-N 448.429 5.497 30 20 IKED Cc1csc(SCc2c(C(=O)NCC3CCC(C#N)CC3)oc3ccccc23)n1 799387278 KAMJCUPSNUYKGG-UHFFFAOYSA-N 425.579 5.550 30 20 IKED CCCCCCCS(=O)(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 799641698 NRIMFLXALSJNAI-UHFFFAOYSA-N 432.464 5.263 30 20 IKED N#CC1(CCCOC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CCOCC1 800126959 WZTAPWXDWXPITM-UHFFFAOYSA-N 438.471 5.015 30 20 IKED Cc1cc(F)cc2c1CN(C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)CC2 800700726 PLIZMOYIFPIJBH-STQMWFEESA-N 426.376 5.111 30 20 IKED CCOC(=O)[C@H]1C/C(=C/c2csc(COc3ccc(OC)cc3)n2)C(=O)c2ccccc21 802708404 UOQSOAYNGOHXRC-FPIZWNAKSA-N 449.528 5.047 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(N2CCCOC2=O)cc1 814635673 JFZFVIMXMQUWCJ-DLBZAZTESA-N 438.553 5.168 30 20 IKED C[C@@H](SC1=NC(=O)/C(=C/c2csc3ccccc23)S1)C(=O)Nc1ccccc1C#N 814774063 XVYLYZUXQUOBBT-XTBHVRTMSA-N 449.582 5.504 30 20 IKED O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)OC(C(F)(F)F)C(F)(F)F 816218538 WATLOLCACYFNDO-UHFFFAOYSA-N 437.283 5.408 30 20 IKED COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3cnn(-c4ccccc4)c3C)c2)cc1 818252164 FUSAVMQBRRKRIL-LFIBNONCSA-N 437.499 5.338 30 20 IKED CC(C)CCOc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916909019 OTDCELKGRBUFHG-HSZRJFAPSA-N 442.515 5.865 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cc1 916914360 KPCANKCXBRQTQS-NRFANRHFSA-N 435.524 5.337 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2oc3c(ccc4ccccc43)c2C)cc1Cl 916938918 OWLVBRBFMLZGGL-GOSISDBHSA-N 432.863 5.518 30 20 IKED COCCOc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1 917560611 SWHQSOZOLATYGJ-JYRVWZFOSA-N 436.533 5.057 30 20 IKED Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1scnc1C 917623146 POFRZDWQAUUZGG-GOSISDBHSA-N 438.534 5.286 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCSc2nc3ccccc3s2)cc1 919868013 JMRMZPUXCPTUEU-UHFFFAOYSA-N 437.590 5.231 30 20 IKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1NC(=O)c1ccccc1 920106237 VNJKNTQPTHTYRD-OAQYLSRUSA-N 435.483 5.242 30 20 IKED CCCCCCOCc1cccc(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1 920874932 SLBZCCGWOUJAJJ-UHFFFAOYSA-N 434.584 5.005 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)cc3F)CCC2)cc1 1785937881 YEEUQBBEUCSPIS-UHFFFAOYSA-N 447.432 5.142 30 20 IKED Cc1ncccc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1787322551 GSUIOOJHQHLNFL-GOSISDBHSA-N 438.531 5.079 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cccc(Cl)c3OC)cc2)CCC1 1792146885 FLPYYNLCBPHXLX-UHFFFAOYSA-N 448.897 5.308 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3c(Cl)cncc3s1)C2 1792571875 MOAVNNZQWCIGON-MUJYYYPQSA-N 446.016 5.194 30 20 IKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)C2)C1 1804789227 KSDDXTCXTVIONC-UHFFFAOYSA-N 428.576 5.165 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3ccoc3c2)[nH]n1 1814828388 JPYWHODHIRPIQE-OAQYLSRUSA-N 432.524 5.230 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](c2ccccc2)C(C)C)n[nH]1 1814933106 KWKPUUSIGRYISE-DHLKQENFSA-N 434.584 5.035 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](F)c2ccccc2)n[nH]1 1815550614 XFEUUOPYQBHPEC-CTNGQTDRSA-N 426.536 5.105 30 20 IKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2-c2ccc(C)cc2)n[nH]1 1821225903 QWIJWHBRFDCFTR-QHCPKHFHSA-N 428.536 5.267 30 20 IKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)C(C)C)CC1 1824242437 LUJTYIFZWFMVSP-BDYUSTAISA-N 436.640 5.240 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)nc(CC)c2)CC1 1827924901 OEKMTRRECIMRFC-DEOSSOPVSA-N 439.644 5.178 30 20 IKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)CC1 1828356426 GKIMOSXIZFGXTJ-MIFWMJNYSA-N 446.591 5.259 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1ccccc1Oc1ccccc1)C2 1844203149 XPNUWYKDCATNMW-QFIPXVFZSA-N 430.548 5.064 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(-c2ccc(Cl)cc2)o1 1847264260 NIIHYUTUBJMTMA-PMACEKPBSA-N 440.971 5.408 30 20 IKED C=CCn1c(SCc2cc(Br)ccc2OC)nnc1-c1ccccc1OC 10242685 JGEDLQLUHYKZHV-UHFFFAOYSA-N 446.370 5.203 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 17187550 VOJXWOKFEZPPEY-SFHVURJKSA-N 439.471 5.101 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)NC(CC)CC)nc2scc(-c3cccs3)c2c1=O 21953639 ICFBPKUFDJXPGL-ZDUSSCGKSA-N 447.651 5.158 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc3c(c2)CCCC3)c(C)[nH]1 23603991 HVNBWCCOFZLJEP-UHFFFAOYSA-O 439.004 5.502 30 20 IKED C=CCOc1ccccc1C(=O)Nc1cccc(C(=O)N2CCc3sccc3C2)c1C 32461657 YASRNDKIFNWLDT-UHFFFAOYSA-N 432.545 5.072 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(NC(=O)NC(C)C)c2)cc1 60347575 ZJTRGJKZZGZZIJ-UHFFFAOYSA-N 444.491 5.141 30 20 IKED CCN(Cc1cccc(F)c1)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 60679236 CAQQUQLPLNWHAX-UHFFFAOYSA-N 447.535 5.090 30 20 IKED C=CCN(Cc1cccs1)C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 69770942 KVSUJDBBXBQHGH-QFIPXVFZSA-N 438.980 5.478 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2nc(-c3cccs3)oc2C)cc1 116552962 JYWSEGCRWKCLKU-UHFFFAOYSA-N 445.500 5.565 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)C3(c4ccccc4Cl)CCOCC3)cc2)c1 303356012 OSRAQSDRDMGTMN-UHFFFAOYSA-N 432.907 5.691 30 20 IKED COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cccc(COc3ccccc3C#N)c2)c1 303633617 ZBSLXXGQSRVWLZ-DEOSSOPVSA-N 442.515 5.132 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 409756670 XIJCPIWABWKHRI-UHFFFAOYSA-N 429.467 5.334 30 20 IKED C[C@@H](NC(=O)C1(c2cncc(Br)c2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 409908374 HPJKKEHBAHUSCO-MRXNPFEDSA-N 446.348 5.292 30 20 IKED N#C[C@H](C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)c1nc(-c2ccncc2)cs1 430532404 LIXJIQOFTYLGLE-CQSZACIVSA-N 440.315 5.188 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(F)c2Br)cc1 431346454 DEDYHICEYWIWSX-UHFFFAOYSA-N 439.284 5.486 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NC2(Cc3ccc(F)cc3)CCOCC2)cc1 432754647 MQGVKKHTELIVIP-UHFFFAOYSA-N 445.494 5.403 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 432861555 WRTSDCOGEMZHST-MRXNPFEDSA-N 425.529 5.204 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cc(F)c(F)cc2Br)c1 435256531 OYSIFKNRFLCYQV-UHFFFAOYSA-N 433.208 5.023 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 436329963 BWQSAPCMSPJWGI-QANKJYHBSA-N 430.371 5.521 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nc(-c2cccc(F)c2)no1 437144881 KMYYSZZNRIMXLD-CQSZACIVSA-N 446.413 5.170 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(Oc3cnccn3)c2)cc1F 437480212 XCLHCTUQHJHSOI-UHFFFAOYSA-N 426.407 5.324 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2cccc(C)c2C)nc1 438378522 YTEUPAMLQJDDII-UHFFFAOYSA-N 430.508 5.043 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(COCc2ccccc2)cc1 438382661 XMXHBBJCLVOJHJ-UHFFFAOYSA-N 431.492 5.532 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ncc(Cc2cccc(Br)c2)s1 438558974 VNNACYOVFNAWNS-UHFFFAOYSA-N 441.354 5.032 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)N[C@@H](CCC#N)c2ccccc2)cc1 438861380 RVHIYRRPXDXORN-CPJSRVTESA-N 427.548 6.110 30 20 IKED N#Cc1cccc(CCNC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)c1 439516694 BORUTBKBZNMIKY-UHFFFAOYSA-N 426.398 5.129 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)NCC1(Sc2ccccc2)CCCC1 439583968 AHCQYFWONRAWFM-HXUWFJFHSA-N 437.609 5.025 30 20 IKED CCCc1c(NC(=O)N(C)Cc2cccc(C(F)(F)F)c2)cnn1-c1cccc(C#N)c1 439661155 FLPAYSNCOLQGKP-UHFFFAOYSA-N 441.457 5.379 30 20 IKED N#CCC[C@@H](NC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1)c1ccccc1 439672164 JGTJTAFQUCYWTL-GOSISDBHSA-N 430.291 5.335 30 20 IKED N#Cc1ccc(C2(C(=O)Nc3ccc(C(=O)N4CCC[C@@H]4c4ccccc4)cc3)CC2)cc1 444005888 UKGRYZAZCCJBFO-RUZDIDTESA-N 435.527 5.206 30 20 IKED CN(Cc1nccn1C(F)F)C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444026303 WLRSYEOBDXJPJZ-GFCCVEGCSA-N 444.326 5.132 30 20 IKED C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C 460766774 DLKZMUCIKHNIAF-GJZGRUSLSA-N 439.387 5.009 30 20 IKED CC(C)c1oc([C@@H]2CCCN2c2nc(C(F)(F)F)ccc2C#N)nc1-c1ccccc1 462109795 GDRJABSBDRJUCM-KRWDZBQOSA-N 426.442 6.092 30 20 IKED C[C@H]1CCCN(c2cc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)ccn2)C1 464192439 UHWXJZYTVOYSGJ-GOEBONIOSA-N 438.503 5.210 30 20 IKED CC(C)(NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1nc(C(F)(F)F)cs1 465318259 RRHXNNFPRVLKGJ-UHFFFAOYSA-N 430.455 5.442 30 20 IKED CN(C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](c1ccc(Cl)cc1)C1CCCC1 467663315 FZQVEAZRFNEROF-HXUWFJFHSA-N 430.335 5.193 30 20 IKED Cc1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)c(F)c2)cc1 469951316 WYCYCMRNKQFDON-UHFFFAOYSA-N 441.506 5.636 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3nnc(C4CCCC4)o3)cc2Cl)cc1 471066563 QNWWFODHJKIDIC-UHFFFAOYSA-N 436.899 5.616 30 20 IKED COc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(OC(F)F)c1 474977837 XTSCALGRWNKONM-LBPRGKRZSA-N 436.386 5.188 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 476109153 LMXCTRZDLBVOHI-QFIPXVFZSA-N 434.580 5.185 30 20 IKED C=CC1CCN(C(=O)NC[C@@H](c2ccc(OCC)c(OC)c2)c2c[nH]c3ccccc23)CC1 476407280 PDTHIPAZQDMSSG-QFIPXVFZSA-N 447.579 5.315 30 20 IKED C[C@H](NC(=O)N1CC2(CCOCC2)c2ccccc21)c1ccc(-c2cccc(C#N)c2)cc1 479775225 XWDOKEBXFSQXNA-FQEVSTJZSA-N 437.543 5.564 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)cc1 482209993 MWRPGELWOZIWDA-AZUAARDMSA-N 432.511 5.949 30 20 IKED CC[C@@H](NC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F)c1nc(C(F)(F)F)cs1 482373227 RHEDGRKYCCKGMS-BXKDBHETSA-N 447.351 5.494 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccccc2Oc2ccccc2OCC)n1 484558014 VQTQYIMQXGBIHL-MRXNPFEDSA-N 436.489 5.001 30 20 IKED Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 485644262 QYIRNVZSUYGDCR-UHFFFAOYSA-N 439.315 5.812 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1nc(-c2ccc(-n3cccn3)cc2)cs1 487597427 UZPAIYDRIPTMPO-UHFFFAOYSA-N 447.523 5.787 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1SCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 488812697 GLJGTINHVXQWNM-UHFFFAOYSA-N 439.768 5.375 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)nnc1-c1ccccc1C 488881642 SURBEGMVNYRHHV-CQSZACIVSA-N 430.936 5.351 30 20 IKED C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1noc(Cc2ccccc2)n1 489925643 ANNWQLCGTDGFMB-KRWDZBQOSA-N 440.528 5.174 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 500757181 HLUAHVZYCCHSPM-UHFFFAOYSA-N 426.432 5.161 30 20 IKED Cc1cc(C)n(Cc2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2)n1 501293174 ZWBQTMBHZIRZFT-OAQYLSRUSA-N 446.963 5.815 30 20 IKED Cc1c(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)oc2ccc(Br)cc12 504702164 DMJWRTAAUUJRBG-UHFFFAOYSA-N 439.309 5.059 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(Cl)c3ncccc23)cc1 509546338 VJHBPNVNWRGZCM-UHFFFAOYSA-N 427.891 5.786 30 20 IKED Cn1c(-c2cccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)c2)nc2ccccc21 512328991 PFPHTSOMKWTNOT-UHFFFAOYSA-N 448.482 5.536 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 515186406 YZICZVBVDAJDRZ-OALUTQOASA-N 440.490 5.533 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(c2ncc(C)s2)CC1 517018117 ODPUCYLYMUQLSU-KRWDZBQOSA-N 441.576 5.282 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 517430255 LEUFUECUBUAGSI-UHFFFAOYSA-N 440.952 5.491 30 20 IKED COc1ccc(OC)c([C@@H]2CCCN2C(=O)Nc2ccccc2SC[C@H](C)C#N)c1 519451408 CXBFSJUUZSSUQY-UZLBHIALSA-N 425.554 5.325 30 20 IKED CC(C)(CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1c(Cl)cccc1Cl 519502621 DEUFUPCRPBEACK-UHFFFAOYSA-N 446.378 5.114 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 519923716 IVORLOUQIWKKDN-NRFANRHFSA-N 442.563 5.461 30 20 IKED Cc1cc(Br)ccc1SCC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 521016137 KRSRMQIALHPPCA-HNNXBMFYSA-N 443.288 5.250 30 20 IKED COc1ccc([C@H](Cc2ccccc2C)NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1OC 521510579 BMSMJKFVPFCXIO-CYFREDJKSA-N 443.547 5.228 30 20 IKED COc1ccc(Oc2cc(CNC(=O)Nc3ccccc3S[C@H](C)CC#N)ccn2)cc1 521810577 UWCYSKNALMSBPF-QGZVFWFLSA-N 448.548 5.598 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(NC(=O)c4cccs4)c3)c2)cc1 523135290 BCZQBEGWWOCQAY-UHFFFAOYSA-N 438.512 5.868 30 20 IKED Cc1[nH]c2ccc(CNC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2c1C 523592583 LESMMWRPOKHKLN-UHFFFAOYSA-N 440.522 5.708 30 20 IKED COc1cc(CS[C@H](C)C(=O)NCc2ccccc2)ccc1OCc1cccc(C#N)c1 523938878 IQAVTTCUXBBIAB-LJQANCHMSA-N 446.572 5.084 30 20 IKED CCc1nc2ccccc2n1C1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 536816027 NISDWBMKRQUCOU-UHFFFAOYSA-N 449.558 5.263 30 20 IKED Cc1c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)oc2c(Br)cccc12 543900496 ZNPJUBIMTOGMRG-LBPRGKRZSA-N 429.339 6.008 30 20 IKED N#Cc1cc(C(=O)Nc2ccccc2OCc2cccc(Cl)c2)cnc1C(F)(F)F 550923587 UQILITLTFOVVLL-UHFFFAOYSA-N 431.801 5.457 30 20 IKED CC(C)N(Cc1ccc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1)C[C@H]1CCCCO1 552139764 XIKRWYDPKKVVTA-RUZDIDTESA-N 449.570 5.147 30 20 IKED C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 555265993 PZUKCOFZVAGXMB-IBGZPJMESA-N 442.498 5.057 30 20 IKED C[C@@H](C(=O)Nc1ccccc1C#N)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 556508431 NRRGNXYRMGDBQF-LBPRGKRZSA-N 429.364 5.055 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCN(c2ccccc2F)C1 565414569 UGLNQAGSZWHQBK-NRFANRHFSA-N 429.495 5.050 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccccc3-c3ncc4n3CCCC4)c2)cc1 569516136 DDCRIBXVYZVNKH-UHFFFAOYSA-N 434.499 5.803 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(Br)c(Cl)c3Cl)CC2)c1 572400420 HQJJUTNOCQFOAB-UHFFFAOYSA-N 428.088 5.437 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 574294948 DEKISVAOYLMNCR-WWPVKYPJSA-N 432.568 5.010 30 20 IKED Cc1cc(C(=O)N2CCCC2)ccc1NCc1cccc(OCc2ccccc2C#N)c1 585731661 XYZVGTRHSHZWFC-UHFFFAOYSA-N 425.532 5.294 30 20 IKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)Cc1ccc(C#N)cc1C(F)(F)F 589495292 MLQBQGQSSUMSSP-UHFFFAOYSA-N 434.849 5.693 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 590336289 ZBIVHEXKMAGXAE-UHFFFAOYSA-N 449.370 5.213 30 20 IKED N#Cc1c(CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cn2ccccc12 590649938 QXPKMQVRWMDIPL-UHFFFAOYSA-N 431.304 5.372 30 20 IKED CCN(CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)Cc1ccc(Cl)s1 590928870 VBJHPPKXYOOWRP-UHFFFAOYSA-N 444.988 5.184 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 596386436 MZNARLRYDOIEIW-MRXNPFEDSA-N 441.984 5.861 30 20 IKED COc1cc([C@H](C)NC(=O)N(C)Cc2cccc(C#N)c2)ccc1OCc1ccccc1 604078250 ZWTHEOCNYFPUJB-IBGZPJMESA-N 429.520 5.048 30 20 IKED CN(CCCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)CC(F)(F)F 604090612 YXMTZLYYWUZDLP-UHFFFAOYSA-N 440.853 5.010 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c1 604134208 FPDSJKRBECSAKL-IBGZPJMESA-N 442.425 5.372 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc3c(s2)-c2ccccc2C(C)(C)C3)n1 608865833 XEVVTCRUSQKFBM-OAHLLOKOSA-N 436.558 5.372 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(CCC3CCCCC3)o2)c1 608929567 FEEVLVYEQZIPJR-UHFFFAOYSA-N 426.586 5.238 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 609020231 NZKWLGVRXYGOAU-UHFFFAOYSA-N 444.878 5.580 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 609438614 MPYJYGXXPBNWLT-OALUTQOASA-N 446.576 5.938 30 20 IKED COc1cc(C[S@@](=O)Cc2ccc(Cl)cc2)ccc1OCc1cccc(C#N)c1 609743042 OSXHQNSHUUFVLC-LJAQVGFWSA-N 425.937 5.248 30 20 IKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccc(Oc4cnccn4)c3)c2C#N)C1 609906394 MBAXUNCRYQWCSE-INIZCTEOSA-N 432.549 5.605 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC(c3cccs3)c3cccs3)cn2)c1 610015459 IAXQXIRJDVHECR-UHFFFAOYSA-N 432.530 5.780 30 20 IKED Cc1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1NC(=O)NC(C)(C)C 610129963 LWVXKFUZRRHQSA-KRWDZBQOSA-N 433.339 5.217 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(COCc3ccccc3)cc2)o1 610185002 POMVILAECMQLGF-UHFFFAOYSA-N 438.483 5.699 30 20 IKED O=C(Nc1ccc(OC(F)F)c(F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 613075374 HBYQFLWGJRCBFT-YUMQZZPRSA-N 438.290 5.458 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3SCc3ccco3)n2)cc1 613318177 OKNHDJUJDNSTFT-FQEVSTJZSA-N 430.554 6.494 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)nnc1-c1ccncc1 613362065 IORXYAKYTVADKS-MSOLQXFVSA-N 443.576 5.037 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 615754976 CGMGDQNRKUTFAX-UHFFFAOYSA-N 449.492 5.207 30 20 IKED O=C(c1c(F)cc(C(F)(F)F)cc1F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 685637333 HJZBPFOXXLBPEZ-OCAPTIKFSA-N 429.229 5.187 30 20 IKED COc1cc(/C=C/C(=O)c2sc(-c3ccc(F)cc3)nc2C)c([N+](=O)[O-])cc1OC 727267362 IBAXAIOOUVROSV-RMKNXTFCSA-N 428.441 5.079 30 20 IKED CCOCCOc1ccc(Cl)cc1NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 728270875 ONZFFSBXFXKVNX-UHFFFAOYSA-N 437.927 5.287 30 20 IKED Cc1c(CN2CCSCC2)cccc1NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 728271797 BKTGHILGRONVKF-UHFFFAOYSA-N 444.604 5.075 30 20 IKED CC(=O)Nc1cccc(N=c2scc(-c3[nH]c(C)c(C(C)=O)c3C)n2CCCCC#N)c1 728776454 RESHFZMNZXXTBM-UHFFFAOYSA-N 449.580 5.249 30 20 IKED Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2cc3ccccc3n2CC#N)c2ccccc2)c1 729768723 ISSGPRWGKWSECG-VWLOTQADSA-N 437.499 5.319 30 20 IKED Cc1nc(-c2ccc3ccccc3c2)n(CC(=O)Nc2ccccc2S[C@H](C)CC#N)n1 731028995 MCTOOWXREJEIQP-QGZVFWFLSA-N 441.560 5.440 30 20 IKED COc1ccc(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccc12 731062646 GFDDFJWMRSUZRY-INIZCTEOSA-N 434.517 5.038 30 20 IKED Cc1cccc(C2(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)CCCC2)c1 731080107 HUNQAUVVFZYTQB-LJQANCHMSA-N 436.577 5.241 30 20 IKED C=CCn1c(-c2ccc(F)cc2)nn(CN(C)[C@@H]2CCCc3nc(C)sc32)c1=S 732189397 QZAYLFXRAFKLEM-GOSISDBHSA-N 429.590 5.138 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Cc2csc(-c3ccc(C(C)C)cc3)n2)c1 733775380 SUYVWXJIMHNEBC-QFIPXVFZSA-N 433.577 5.473 30 20 IKED CCCCC[C@@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C(C)(C)C 734346663 VXTWAODDPZHSDJ-HXUWFJFHSA-N 426.561 5.134 30 20 IKED CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H]1CCCN(c2ccccc2)C1=O 734643818 HYOIQDKEVITRRK-RPBOFIJWSA-N 438.531 5.001 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)c3ccc(CNC(=O)C4CCCC4)cc3)c2)s1 739591107 RPYQNVXGUYLMIC-UHFFFAOYSA-N 443.572 5.023 30 20 IKED N#CCOc1ccc(CC(=O)NCc2ccc(Oc3cccc(Cl)c3Cl)cc2)cc1 741584826 KLTPUNHKKNZEIE-UHFFFAOYSA-N 441.314 5.547 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 747205367 UDGXWGCBPQBOOR-LJQANCHMSA-N 433.826 5.248 30 20 IKED COc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OCCCC#N 747473209 ZTRZNQMQPXAKNW-KGENOOAVSA-N 438.574 5.400 30 20 IKED CCCNc1ccc(C#N)cc1NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 748325803 LTOKQEBELIDCRR-XMMPIXPASA-N 425.488 5.087 30 20 IKED C[C@H](OC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccc(C#N)cc1 748685427 QCCUQFJTPOVLAW-SBUREZEXSA-N 432.907 5.377 30 20 IKED CCN(C(=O)c1ccc(-c2ccccc2Br)n1C)[C@@H](C)c1ccc(C#N)cc1 751364623 QLGZDJMZBAPPRB-INIZCTEOSA-N 436.353 5.550 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc2ccc(Cl)cc2n1 752585941 KQYKBRJDLNMCFD-CQSZACIVSA-N 439.924 5.078 30 20 IKED Cc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(O[C@@H]2CCOC2)c1 758535488 MVOVVVBQVPNFGK-JWQCQUIFSA-N 441.531 5.140 30 20 IKED CCOc1ccc(N(C(=O)Cc2cccc(OCC#N)c2)c2nc3ccccc3s2)cc1 760342510 MKQLWHPUCSOQNE-UHFFFAOYSA-N 443.528 5.505 30 20 IKED Cc1cc(C)n(-c2ccc(-c3noc(Cc4ccccc4CC#N)n3)c(C(F)(F)F)c2)n1 761852999 BBLUJELFMMIYNK-UHFFFAOYSA-N 437.425 5.215 30 20 IKED C=CCOc1ccc(CN(CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)C(C)(C)C)cc1 761912809 DJVFCROZNVGNDA-QFIPXVFZSA-N 440.547 5.089 30 20 IKED C[C@@H](OC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl 769543323 JMJCGVJDZVAARX-CQSZACIVSA-N 444.318 5.436 30 20 IKED CC[C@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cc(C)ccc1OC 772501351 PHFSHIMBBGKMPX-FQEVSTJZSA-N 449.507 5.034 30 20 IKED O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccn(CC(F)(F)F)n1 773119842 DMDQLDKYLCLIRM-OWOJBTEDSA-N 431.258 5.135 30 20 IKED C[C@H](Oc1cccc2ccccc12)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 774052152 KVAXBQRFIRPMHB-SUMWQHHRSA-N 427.287 5.261 30 20 IKED CCN(C(C)=O)c1nc(/C=C\C(=O)c2ccc(Oc3ccc(F)cc3)cc2Cl)cs1 774139705 VMEFCZZFKJSVFJ-WDZFZDKYSA-N 444.915 5.997 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1 774320835 MMVSEZCUYVUOAA-FYYLOGMGSA-N 431.561 5.084 30 20 IKED CC[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)CC[C@@H]1NC(=O)OC(C)(C)C 778395374 NGOPVXMWWLFRSM-NQIIRXRSSA-N 449.551 5.116 30 20 IKED C[C@@H](OC(=O)c1ccc(C#N)c(Cl)c1)C(=O)N1c2ccccc2Sc2ccccc21 778543799 TXDJKAJTFSZJLI-CQSZACIVSA-N 434.904 5.586 30 20 IKED C=CCN(CCc1ccco1)Cn1nc(-c2ccncc2)n(-c2ccccc2C)c1=S 778588640 JDMNCRMRDMHOHW-UHFFFAOYSA-N 431.565 5.055 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)c3cccc4c3CCCN4C(=O)OC(C)(C)C)[nH]c12 778653207 ZRDSXGUWIGBYPX-GOSISDBHSA-N 430.508 5.049 30 20 IKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(Oc2nncc3ccccc23)cc1 783599374 DRPNKMYYPAGHBG-UHFFFAOYSA-N 435.443 5.238 30 20 IKED CC(=NOCc1ncc(Cl)cc1Cl)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 784049793 PSPYREUVKPLZAC-UHFFFAOYSA-N 444.244 5.237 30 20 IKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc(C(F)(F)F)c1F 785880895 RJKPWDOOAIJETD-CYBMUJFWSA-N 446.372 5.429 30 20 IKED Cc1c(C(=O)[C@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cnc2ccccc12 787053319 QJWMEVXIAUIURC-GUYCJALGSA-N 426.303 5.050 30 20 IKED Cc1c(C(=O)/C=C\c2cc(Br)c(O)c(Br)c2)cnn1C(C)(C)C 787187581 XPWDKCZPPTVZFE-WAYWQWQTSA-N 442.151 5.073 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCOc2c1ccc(Cl)c2Cl 792780405 PZJSTIFKEVNLJS-WFASDCNBSA-N 436.364 6.033 30 20 IKED COc1ccccc1-c1ncc(/C=C/C(=O)c2ccc(Br)cc2Cl)cn1 792884964 GQOSPKHTDRMIKR-RMKNXTFCSA-N 429.701 5.464 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(Cc4ccccc4)c3Cl)n2)cc1 796890716 WLCBKIZDTHSHNJ-SFHVURJKSA-N 448.935 5.207 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C(C)(C)C 799216773 XORMOBKRUJEWFS-MAUKXSAKSA-N 434.606 5.142 30 20 IKED N#Cc1cccc(-c2nnc(CNc3ccc(Cl)cc3C(=O)c3ccccc3F)o2)c1 799968145 XVIPXLRKSTZQJB-UHFFFAOYSA-N 432.842 5.244 30 20 IKED CCOc1ccc(-n2c(SCCO[C@H](C)C#N)nnc2-c2ccc(Cl)cc2)cc1 801654106 FKZIIXBVXNRRDA-OAHLLOKOSA-N 428.945 5.007 30 20 IKED CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[C@H](C#N)c1ccc2ccccc2n1 805845713 XZEKULBHZRAKNZ-OFNKIYASSA-N 443.547 5.703 30 20 IKED O=C1/C(=C\c2ccc(/C=C3\Cc4nc(Cl)ccc4C3=O)cc2)Cc2nc(Cl)ccc21 806578041 LJWRNNFWAJUBEB-CKOAPEAFSA-N 433.294 5.428 30 20 IKED CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 810284276 NWSWYDDKJABGNR-UHFFFAOYSA-N 441.535 5.400 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Br)c(F)c3)n2)cc1 810549183 ITPYTZRQQIFDQG-HNNXBMFYSA-N 440.297 5.002 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1 810823162 KBGJSMFKYDYFDJ-UHFFFAOYSA-N 430.464 5.345 30 20 IKED Cc1ccc(-c2csc3nc(/C(Cl)=C\c4cccc(F)c4C#N)nc(O)c23)s1 811688402 OPIXFSRYOSGSHR-VGOFMYFVSA-N 427.913 6.182 30 20 IKED N#CCCCC(=O)OC1CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 813091243 WVTYGLLYNIIAIZ-UHFFFAOYSA-N 432.520 5.073 30 20 IKED C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(C(F)(F)F)nc1Cl 817863048 SQVFGCWYRWPOGQ-GFCCVEGCSA-N 449.816 5.288 30 20 IKED COC(OC)[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccccc1 819615001 TVJXVDUKEJMAHT-JOCHJYFZSA-N 436.895 5.094 30 20 IKED Cc1c(-c2ccccc2)oc2c(C(=O)Nc3sc4c(c3C#N)CCCC4)cccc2c1=O 863967370 YQDZOVNBUAGDJV-UHFFFAOYSA-N 440.524 5.833 30 20 IKED Cc1nc2sccc2c(=O)n1N=Cc1ccc(-c2cccc(Br)c2)s1 914599916 NYBIYZUJPCSNQC-UHFFFAOYSA-N 430.352 5.140 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc(C3CC3)nc21 915088020 YVEQCIHNBHNVAB-QHCPKHFHSA-N 435.531 5.797 30 20 IKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 915099979 JLCKGIIGXVPCPM-GGAORHGYSA-N 427.529 5.259 30 20 IKED C=CCN(C(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(OC)c1OC)CC2)C(C)C 915155257 LEGAPEWUHBLBQS-HTXNQAPBSA-N 442.559 5.775 30 20 IKED CC(=O)Nc1ccc(O)c(C(C)=NNc2ncnc3scc(-c4ccc(C)cc4)c23)c1 915955796 KBBBPGOPDHVQBI-UHFFFAOYSA-N 431.521 5.167 30 20 IKED N#CCOc1cccc(NC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)c1 916708443 ADJWWDPFYKBGIV-NRFANRHFSA-N 426.303 5.807 30 20 IKED Cn1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(Cl)c2ccccc21 916907831 XTFCXSRWQNSFES-GOSISDBHSA-N 443.890 5.585 30 20 IKED N#C[C@H](C(=O)COc1ccc(Cl)c2ccccc12)C(=O)Nc1ccc(F)c(Cl)c1 916937822 GYBHNSFOTUCNOP-OAHLLOKOSA-N 431.250 5.012 30 20 IKED CCOc1cc2c(cc1/C=C\C(=O)[C@H](C#N)C(=O)Nc1ccc([C@H](C)CC)cc1)O[C@H](C)C2 916955314 OSBSPPRLNZJIIV-VDWHZECYSA-N 446.547 5.283 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccnc1SC(F)(F)F 920280089 RPKHKWPFORTBOU-HTQZYQBOSA-N 440.331 5.333 30 20 IKED Cc1sc2ncn(N=Cc3ccc(OCC(F)(F)F)cc3)c(=O)c2c1-c1ccccc1 921256031 GCIUJIVYZIBTOI-UHFFFAOYSA-N 443.450 5.257 30 20 IKED C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc2nc(O)oc2c1 1465516731 YLQDOKVEDMSDHV-CQSZACIVSA-N 446.438 5.006 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCc4ccoc4C3)CCC2)cc1 1789449141 OBHNHLHWCHMMNF-OFNKIYASSA-N 432.564 5.287 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(C)ccc3[nH]2)n[nH]1 1818564124 CSHRPLSAPKMPBV-WMZHIEFXSA-N 445.567 5.274 30 20 IKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ccccc23)[nH]n1 1821986344 FUPISPKCFRCRCC-HXUWFJFHSA-N 438.478 5.080 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cccs2)CC1 1828825464 WXNQQDHSAZVYFF-IEIJKENGSA-N 426.626 5.149 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1ccccc1 9448063 ZVCRNDGOKCYKGX-AWEZNQCLSA-N 432.471 5.269 30 20 IKED COc1cc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)ccc1OCC#N 16408403 DHXOWBDGDMOWRU-CYVLTUHYSA-N 426.497 5.631 30 20 IKED CCOC(=O)c1ccc(C#N)c(S[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)n1 58558500 PDZXZFGHFRPLHV-JOCHJYFZSA-N 445.544 5.219 30 20 IKED Cc1ccc(C(=O)N(C)c2cccc(C#N)c2)cc1NC(=O)c1ccc(Br)cc1 63326749 QPHKBVXOTYXIDI-UHFFFAOYSA-N 448.320 5.158 30 20 IKED CCOc1ccc([C@H](CNC(=O)C2(C#N)CCCCC2)c2c[nH]c3ccccc23)cc1OC 72030018 CNZCUQFKWOMASX-NRFANRHFSA-N 445.563 5.297 30 20 IKED COCCCn1c(SCCCCC#N)nc2scc(-c3ccccc3Cl)c2c1=O 195537635 ZFBHRJRATHYVMT-UHFFFAOYSA-N 448.013 5.601 30 20 IKED C[C@H](Cc1nnc(SCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)o1)c1ccccc1 212354067 JFTHCIJCRIYBNF-JVDNRXPZSA-N 433.577 5.389 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1ncnc2sc3c(c12)CCC3 303248785 BJGVTNLTRSTKNO-CYBMUJFWSA-N 440.619 5.163 30 20 IKED CCc1ccc(-n2nc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c3c2CCC3)cc1 303251584 CEAAMPJEPMEFBS-QGZVFWFLSA-N 430.577 5.427 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)cc2)c1 303364520 QVZBRUWLEQRDDS-UHFFFAOYSA-N 433.467 5.855 30 20 IKED N#Cc1ccc(NC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(Cl)c1 430357284 RRSLCDWZSFCYNJ-UHFFFAOYSA-N 447.966 5.297 30 20 IKED C=CCN(C(=O)Nc1cc(-c2ccc(C)o2)ccc1C)[C@H](C)c1cccc(-n2cnnn2)c1 432980858 YPVVRUOJMSUJDF-LJQANCHMSA-N 442.523 5.320 30 20 IKED O=S(=O)(Cc1cccc(NCC#Cc2ccc(OC(F)(F)F)cc2)c1)c1ccccc1 433469670 IIVKPHNXIUXYLP-UHFFFAOYSA-N 445.462 5.023 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Br)c(Cl)c1F 435857960 ZPFQSOWZSUYJNC-SNVBAGLBSA-N 427.726 5.888 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(CCc3ccccn3)Cc3ccncc3)cc2)cc1 436346500 PLMUXKGQQCXGHD-UHFFFAOYSA-N 449.514 5.417 30 20 IKED N#CCC[C@@H](NC(=O)Nc1cc(I)ccc1Cl)c1ccccc1 439471296 FZOKSVAPZWLDPK-OAHLLOKOSA-N 439.684 5.111 30 20 IKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 442193243 VGRBEQGMGWHCRJ-UHFFFAOYSA-N 444.413 5.208 30 20 IKED COc1ccc(-c2ncc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)s2)cc1 442868134 BPKWSTNYRFSASO-SFHVURJKSA-N 442.525 5.304 30 20 IKED N#Cc1ccc(N2CCN(C(=O)Nc3cccc(CCC(F)(F)F)c3)CC2)c(Cl)c1 444924572 QSSUAAGBLVHOJU-UHFFFAOYSA-N 436.865 5.061 30 20 IKED C=C(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H]1c1csc(C)n1 460375213 OBBAEDYGAGVSGP-JOCHJYFZSA-N 430.581 5.484 30 20 IKED C=CCn1c(Sc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)nnc1-c1ccoc1C 462420084 DJSPFLRVPCAVFL-UHFFFAOYSA-N 449.492 5.066 30 20 IKED CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 463166885 AMEIIPWCEFKQFV-QGTPRVQTSA-N 430.599 5.014 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)C(=O)Nc2cccc(C3CCC3)c2)cc1 464110161 LUNHITZQTSOERM-UHFFFAOYSA-N 439.515 5.176 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1nc(O)c2c(-c3ccccc3)csc2n1 464818214 KTAJLQUQKRCVGN-FPOVZHCZSA-N 426.545 5.336 30 20 IKED CC[C@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1nc(C(F)(F)F)cs1 465262486 RCFMAMCRVCNBSL-KRWDZBQOSA-N 430.455 5.658 30 20 IKED C=CCn1c(SCCCSCC#N)nc2scc(-c3ccc(C)cc3)c2c1=O 466619762 YFJNABQOFCZZQN-UHFFFAOYSA-N 427.620 5.358 30 20 IKED C[C@@H](CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C(=O)c1cccc(F)c1 468007506 XTRAYKVWKJSXNW-SFHVURJKSA-N 430.479 5.318 30 20 IKED Cc1ccc([C@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c2ccccn2)cc1 471120129 FCEMTXWNGQHWHT-QHCPKHFHSA-N 439.544 5.220 30 20 IKED C=C(C)[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1ccc(F)c(F)c1 475672367 OAFNRHKDNILGSI-LJQANCHMSA-N 446.548 5.145 30 20 IKED O=C(Cc1csc(Cc2cccc(Cl)c2)n1)NCC#Cc1ccc(C(F)(F)F)cc1 477559853 OINPSMKKFPCLBM-UHFFFAOYSA-N 448.897 5.117 30 20 IKED COC(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(F)c1 478095480 IKTBUIJHGSBMQY-AWEZNQCLSA-N 449.290 5.533 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1 480315336 QTIDZPHFSHEHBS-UHFFFAOYSA-N 440.396 5.661 30 20 IKED Cc1ccc(-n2c(SCc3nnc(-c4ccc(C#N)cc4)o3)nnc2-c2ccco2)cc1 481357178 CMZCVKFMZGPSHM-UHFFFAOYSA-N 440.488 5.050 30 20 IKED CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481629913 SRVDRXSGAIKTOL-OAQYLSRUSA-N 435.524 5.879 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 481923354 ZQEYZFHSDNLBFK-YOEHRIQHSA-N 441.919 5.301 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 482115280 STZYBKNJHLOWDQ-AWEZNQCLSA-N 441.457 5.169 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cccc(Oc3ccncc3)c2)cc1 482733549 FQLMFQNYCYAGTR-UHFFFAOYSA-N 425.419 5.929 30 20 IKED COc1cccc([C@@H]2CN(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CCO2)c1 483227701 IMIFRUAELKEWTR-DEOSSOPVSA-N 447.466 5.104 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCc3c(F)cc(F)cc3C2)cc1 483336785 KTVCIRLLAKMNFD-UHFFFAOYSA-N 435.430 5.228 30 20 IKED C=CCN(C(=O)CSc1ccc(C(F)(F)F)cn1)c1nc(-c2ccccc2)cs1 483347933 GPYSDFMLLIJRQX-UHFFFAOYSA-N 435.496 5.535 30 20 IKED O=C(N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F)N[C@H](c1cc(F)ccc1F)C(F)F 483857434 OMRCHGIPZUWSJB-CVEARBPZSA-N 433.327 5.355 30 20 IKED CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1 490215931 HSVCPXPYPDAPHS-UHFFFAOYSA-N 447.922 5.782 30 20 IKED Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)N3CCC(C)(C#N)CC3)c12 507812210 LHSJFIWBODMVDS-UHFFFAOYSA-N 441.560 5.223 30 20 IKED CN(CCOc1ccccc1F)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509905208 NVLDWMCVJDCKEJ-UHFFFAOYSA-N 433.483 5.013 30 20 IKED C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509907715 AZMVPOLXIGFELK-SFHVURJKSA-N 433.939 6.210 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCOCCc1ccccc1 510706269 XQZNQFCIVXTJOA-UHFFFAOYSA-N 429.520 5.430 30 20 IKED N#C[C@H](C(=O)c1ccc(OCC(F)(F)C(F)F)nc1)c1nc2cc(Cl)ccc2s1 511700019 JPNWGXMMTLXHEQ-LLVKDONJSA-N 443.809 5.114 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2 512855994 KUCDMFKYEHIPMO-SDXDJHTJSA-N 435.483 5.837 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H]1CCCN1Cc1ccccc1 513238120 IYYLALZGLUBKOZ-JOCHJYFZSA-N 427.573 5.104 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C2CC2)nn1-c1ccccc1 515043486 WDFFSIHZXXVKAO-UHFFFAOYSA-N 435.487 5.369 30 20 IKED Cc1sc(-c2ccco2)nc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 515650628 HLYCYZXDVGZWAX-UHFFFAOYSA-N 429.501 5.609 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@H](C)C(=O)Nc1ccccc1C(F)(F)F 516838282 WGHYSXXIORMTKG-MRXNPFEDSA-N 439.437 6.117 30 20 IKED CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(Cl)cc1 518248836 NNFCUAZIULLTKN-QFIPXVFZSA-N 433.895 5.210 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)NCCSCc1ccccc1C#N 518451129 JTXVGZSSGFXNBB-QGZVFWFLSA-N 436.606 5.284 30 20 IKED COCCN(CCc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 519913095 GAAVCOXDMLNWTF-XMMPIXPASA-N 447.966 5.718 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1 520322014 WLPFQDIBCZDCJD-UHFFFAOYSA-N 428.492 5.390 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H](CN4CCCCCC4)C3)c2)cc1 520601317 NKCUGCSYGJAUSZ-QFIPXVFZSA-N 432.568 5.470 30 20 IKED Cc1cc(C)n(-c2ccc(C(=O)N(Cc3ccccc3)c3cc(Cl)ccc3C#N)cn2)n1 521041008 YYLXNKHCLNMCNR-UHFFFAOYSA-N 441.922 5.256 30 20 IKED CCC(=O)Nc1cccc(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 522633198 GXTKGXLAVXRVIA-UHFFFAOYSA-N 433.895 5.282 30 20 IKED Cn1ccnc1-c1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 523944778 MYEVXSZWFFKVSM-UHFFFAOYSA-N 428.879 5.657 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N[C@@H]3CCCc4cc(OC(F)F)ccc43)o2)cc1 524377489 GIPJJGMSCVQWSI-OAQYLSRUSA-N 438.430 5.139 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(N4CCC(O)CC4)cc3)cc2Cl)cc1 531046524 AFJYCDOFTCWYLX-UHFFFAOYSA-N 447.922 5.217 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1ccccc1)c1ccc(F)cc1 532701944 DIKUEHGEMBDPAI-IQGLISFBSA-N 433.552 5.538 30 20 IKED COc1ccc(-c2nc(CC(=O)Nc3cc(C(C)(C)C)sc3C#N)cs2)cc1OC 535254289 DFILWICCOHXRGY-UHFFFAOYSA-N 441.578 5.239 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCC(Cc3cccnc3)CC2)cc1Cl 538922147 LHTNIGOTUGENBJ-UHFFFAOYSA-N 431.923 5.494 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)n1 541098784 OZWSREVKOKKEMQ-LJQANCHMSA-N 426.307 5.420 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCO[C@H](c4ccc(F)cc4F)C3)cc2)cc1 548642145 SPKQWZUCJGMPEP-DEOSSOPVSA-N 434.442 5.037 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)N(Cc1cc(Br)ccc1F)C1CC1 550726252 CGWATNJKZHIVFO-UHFFFAOYSA-N 432.293 5.055 30 20 IKED CC(C)(C(=O)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1cc(F)cc(C#N)c1 552429141 QVOAFJWFFSCFCP-SFHVURJKSA-N 433.552 5.020 30 20 IKED C[C@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccccc1Br 552734093 AZPBKOBVPLXUIP-HNNXBMFYSA-N 436.309 5.552 30 20 IKED CCN(C(=O)c1ccc2c(c1)nc(Cc1cccs1)n2C)[C@@H](C)c1ccc(C#N)cc1 552873409 VHAAHMSOYNZNLG-KRWDZBQOSA-N 428.561 5.321 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nccn1-c1ccc(Cl)cc1 552969012 FZQGKCRBSQLZKC-OAHLLOKOSA-N 442.997 5.651 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3cc(C#N)c4ccccc4n3)cc(-c3cccs3)nc21 554776515 ZSYWDIZKKYZKEE-UHFFFAOYSA-N 438.516 5.413 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(OC2CCCCC2)CC1 555263244 GDKOZMZWGAALLX-IBGZPJMESA-N 442.579 5.451 30 20 IKED N#C[C@@H](C(=O)c1cc2ccccc2cc1OC(F)F)c1nc2ccccc2n1C(F)F 556503880 DRYCVIYLCUWDDI-HNNXBMFYSA-N 427.357 5.676 30 20 IKED C=CCC[C@H](Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1)c1ccco1 560553563 GIMIYFFGTGEYDK-UTKZUKDTSA-N 426.948 6.065 30 20 IKED C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 564143064 JZPIOGIBSRINDC-WMLDXEAASA-N 427.898 5.008 30 20 IKED C[C@H](NC(=O)N(C)C[C@@H]1OCCc2ccccc21)c1ccc(-c2cccc(C#N)c2)cc1 571474746 FNLNYLHILONUDA-SIBVEZHUSA-N 425.532 5.242 30 20 IKED COc1cc(C(=O)NCC(C)(C)CCC#N)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 572269435 RHNIZDPMJIEDCI-UHFFFAOYSA-N 431.876 5.109 30 20 IKED Cc1c(C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)sc2ccc(C#N)cc12 577753864 JGNPSKNDKSUQEW-UHFFFAOYSA-N 444.585 5.620 30 20 IKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)N(C[C@@H](C)C#N)C1CC1 580169358 SEXDHNPLMSJOTM-AWEZNQCLSA-N 444.457 5.422 30 20 IKED Cc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1OCC(F)F 588717121 QCBJJOYHEMROOM-QWRGUYRKSA-N 434.327 5.234 30 20 IKED CC(C)OCc1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)oc2ccccc12 603638577 FUWWCAGDXYITKV-UHFFFAOYSA-N 440.499 6.061 30 20 IKED Cc1cc(Br)ccc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 603945758 NCYSKJIAMSNWDU-UHFFFAOYSA-N 445.367 5.025 30 20 IKED Cc1ccc(-c2ncc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)s2)c(C)c1 604508985 CYOOHVLVGFKOPC-UHFFFAOYSA-N 426.501 5.738 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(Cc1ccc(F)cc1)CC1CC1 604640288 XEKPFVVIMAUMFD-QLPKVWCKSA-N 440.403 5.657 30 20 IKED C=CCOc1ccc(C(=O)NC[C@H]2CCCN(C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 605103159 KMYQQAMPJQYELY-KNQAVFIVSA-N 432.486 5.083 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c2)cc1 607274234 GQXYERJJKIQQQD-LJQANCHMSA-N 428.904 6.055 30 20 IKED N#C[C@@H](C(=O)c1ccnc(OCC(F)(F)F)c1)c1nc2cc(C(F)(F)F)ccc2s1 608552871 JHXJHBKQPGXEPT-NSHDSACASA-N 445.344 5.141 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F 608945649 UZMWCWOYSRCGLT-HXUWFJFHSA-N 446.469 5.498 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3OCc3cscn3)o2)cc1 609059437 KGXWLZWIQIRWAZ-UHFFFAOYSA-N 431.473 5.018 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn(-c2ccccc2Cl)c1 609061116 SFKAZSTWWQAPDZ-UHFFFAOYSA-N 442.906 5.537 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H](C)COCc1ccccc1 609078721 KNRDAOCKDXLPGC-FQEVSTJZSA-N 443.547 5.420 30 20 IKED COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)c2cc3ccccc3n2CC#N)cc1 609167757 VTDBSRQDGWSDOK-HSZRJFAPSA-N 427.479 5.026 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC3(c4ccc(Cl)cc4)CCOCC3)cn2)c1 609322905 XLIXXCRWGZWJOW-UHFFFAOYSA-N 448.910 5.226 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc4ccccc4n3)cc2Cl)c1 609639002 ODBJWTMNVKPXIA-UHFFFAOYSA-N 442.906 5.661 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 609646510 DNSMDHGTDYDKNU-IBGZPJMESA-N 435.449 5.253 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(Oc3ccc(F)cc3)CC2)cc1 609666754 WGZFYZDBTPSSAQ-UHFFFAOYSA-N 446.547 5.673 30 20 IKED CCC(=O)Nc1ccc(C)c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 609727754 XRAYQKKFGQNFGE-UHFFFAOYSA-N 433.895 5.913 30 20 IKED COc1cc(CS[C@@H](C)C(=O)NC2CCCCC2)ccc1OCc1cccc(C#N)c1 609741249 YATPLIBOUQKBGY-SFHVURJKSA-N 438.593 5.216 30 20 IKED N#CCSc1ccccc1NC(=O)CNc1cc(Cl)ccc1SCC(F)(F)F 610132100 CJFWYNGZRWOMRI-UHFFFAOYSA-N 445.919 5.661 30 20 IKED N#Cc1cc(Cl)c(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c(Cl)c1 611901433 BQZMXZIRQYDNBC-INIZCTEOSA-N 429.225 5.098 30 20 IKED COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)N[C@@H](C)c3cccc(C#N)c3)C2)n1 618467899 NZMNINAIRPAOHM-FXAWDEMLSA-N 446.576 5.341 30 20 IKED COc1ccc2ccccc2c1-c1cc(CNC(=O)NCc2ccc(C#N)c(Cl)c2)on1 619760649 YAHXRJCULMNFSF-UHFFFAOYSA-N 446.894 5.028 30 20 IKED CC(=NNc1ncnc2scc(-c3ccc(C)cc3)c12)c1ccc(-n2cncn2)cc1 725829110 TZPAKOJPIBOOHB-UHFFFAOYSA-N 425.521 5.084 30 20 IKED N#C[C@@H](C(=O)Cc1cccc(Br)c1)c1nc2cc(C(F)(F)F)ccc2s1 726322198 HFKCOTRGUGCAFA-ZDUSSCGKSA-N 439.256 5.497 30 20 IKED N#CCSc1ccccc1C(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 726541005 VEQRORQHZKNHHV-MRXNPFEDSA-N 438.940 5.025 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)/C=C\c3ccc(OC)c(OCCCC#N)c3)s2)cc1 727974282 ITJVUPFLHGQGNT-SDQBBNPISA-N 448.544 5.714 30 20 IKED CCCCC[C@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccccc1 728136366 JRABRCKYTKRHOC-DEOSSOPVSA-N 432.568 5.240 30 20 IKED Cc1ccc(C)c2c(C)c(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)oc12 731076010 RZRJWQBEHVXJSM-AWEZNQCLSA-N 436.533 5.405 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)sc2C)[n+]2cc(O)cc(Cl)c2)c1 738009454 ZWJMJJILNQEGHH-UHFFFAOYSA-O 441.985 5.316 30 20 IKED N#C[C@@H]1CN(C(=O)c2cccc(CSc3cc(Cl)cc(Cl)c3)c2)CCN1C1CC1 741565950 XYTNZEOECIAVSR-HXUWFJFHSA-N 446.403 5.098 30 20 IKED Cc1cccc(C2(O)CCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)c1C 742104463 ZIJIVIVNXKINRD-UHFFFAOYSA-N 442.584 5.450 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=S)N[C@@H]3CCc4ccccc4C3)c2)cc1 742986818 GLSUSXPPHVIQNX-XMMPIXPASA-N 427.573 5.176 30 20 IKED COc1ccccc1Oc1ccc(N[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)cc1 743464980 RVOBYUUGLVMZLL-FQEVSTJZSA-N 429.520 5.543 30 20 IKED N#Cc1cc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(Cl)c([N+](=O)[O-])c1 746480788 CEDYORJWTXHLLN-UHFFFAOYSA-N 437.683 5.410 30 20 IKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)c1 747107286 AZHKJTXCIDMPCE-INIZCTEOSA-N 429.423 5.099 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc(C)c([N+](=O)[O-])c1)C(=O)c1ccccc1 747151138 YIWNZZPOMNJQFC-XQNSMLJCSA-N 442.515 5.933 30 20 IKED O=S(=O)(Nc1nccs1)c1ccc(NN=Cc2ccccc2-c2ccccc2)cc1 748085950 SHOPXCULTJBDTL-UHFFFAOYSA-N 434.546 5.057 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(-n4ccnc4)nc3)n2)o1 751139294 CUVZFZZUUXUGLD-UHFFFAOYSA-N 441.438 5.414 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)c1=S 751933013 RXZAODANMQILDX-YADHBBJMSA-N 445.592 5.005 30 20 IKED C[C@](O)(C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1cccc(C(F)(F)F)c1 754835622 IXAWROHLAICQPQ-HSZRJFAPSA-N 440.421 5.002 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)NC2(c3c(Cl)cccc3Cl)CC2)ccc1OC 760169076 ACNONQPWRIZPNM-HNNXBMFYSA-N 448.350 5.171 30 20 IKED C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccc([N+](=O)[O-])c1 763944914 PHYDGIDGRUFUSV-BZNIZROVSA-N 446.315 6.005 30 20 IKED C=C(C)COc1cc(/C=C(/Cl)c2nc3cc(S(=O)(=O)CC)ccc3o2)ccc1OC 764438823 RBFPDYMQETZSIU-LICLKQGHSA-N 447.940 5.322 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cnc(C3CCCC3)s2)c1 767761678 KKMVGDHOFFHJJS-UHFFFAOYSA-N 441.626 5.574 30 20 IKED CC1CCN(c2ccc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)cc2[N+](=O)[O-])CC1 770125953 XKQNRZCOTAYQIC-MRXNPFEDSA-N 438.484 5.070 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H]2CCCc3ccc(Br)cc32)ccc1OC 772980559 SRYVHEVNQLLDSZ-UYAOXDASSA-N 429.358 5.306 30 20 IKED N#Cc1cc(N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)ccc1N1CCC(O)CC1 777117618 NPSUAITUIIXVDK-OAQYLSRUSA-N 448.567 5.271 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(CC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1 777295485 FJAPHKRQTOCXLV-MRXNPFEDSA-N 440.450 5.197 30 20 IKED COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 778543938 WYGVOEJXOROJGG-JOCHJYFZSA-N 434.879 5.066 30 20 IKED Cc1ccc(C(C)C)c(OCCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 780327609 JSXMTSYRAWYXGJ-NRFANRHFSA-N 429.545 5.759 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 780617332 RKCWWCUULUYCRT-SNVBAGLBSA-N 448.228 5.869 30 20 IKED CCCN(C(=O)Nc1ccccc1O[C@H](C)C#N)[C@@H](C)c1ccccc1Br 780678369 MZFPLUOZPQLIAT-CVEARBPZSA-N 430.346 5.745 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)/C=C/c1ccc(Cl)s1)c1ccc(Cl)cc1Cl 787048632 GUWKULXMIWTWQP-BJUFVSLCSA-N 427.740 5.308 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)n1 789390839 AFVRTYYFDRHLQM-LJQANCHMSA-N 439.581 5.092 30 20 IKED N#CC[C@H](CC(=O)OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 795983112 KDGXTSWRIMFIKU-CYBMUJFWSA-N 425.699 5.216 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCC(=O)c3cccc(OC)c3)n2)cc1 796777317 ZYRSDPSKQLIRRA-FQEVSTJZSA-N 434.517 5.057 30 20 IKED C=CC[C@@H](OC(=O)C1CCN(C(=O)c2cccnc2)CC1)c1ccc(Cl)c(Cl)c1 797566418 JOHNGHHKYCHWNT-HXUWFJFHSA-N 433.335 5.101 30 20 IKED CC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(OC)c(OC)c1 806200305 CRXZVCDHHGZLOT-PKTZIBPZSA-N 429.520 5.632 30 20 IKED C[C@@H](NC(=O)c1cc(Cl)ncc1Br)c1ccc(-c2cccc(C#N)c2)cc1 810991342 WWUIGVQNJARUIX-CYBMUJFWSA-N 440.728 5.527 30 20 IKED C[C@H](N[C@H](C)c1ccc(N2CCCOC2=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 815615054 GXLZXWDVFPWRCO-VQTJNVASSA-N 425.532 5.984 30 20 IKED CC(=Nn1c(S)nnc1Cc1cccc2ccccc12)c1cnn(-c2ccccc2)c1C 818228341 RKMHDYRLUGICAP-UHFFFAOYSA-N 438.560 5.077 30 20 IKED C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2sccc2Br)no1 904895792 NHIPFOGVHKXEOP-JTQLQIEISA-N 434.743 5.269 30 20 IKED N#C[C@@H](C(=O)c1csc(COc2ccc(F)cc2)n1)c1nc2ccccc2n1C(F)F 915104368 PFGDTFAQNLHEHD-AWEZNQCLSA-N 442.422 5.096 30 20 IKED Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3ccc4ncccc4c3)cc2)cc1 916141474 BFZWPUOONFNLKR-VIZOYTHASA-N 428.513 5.240 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(C(C)C)c([N+](=O)[O-])c1 916309696 KHYZIHCCAMGHIL-UHFFFAOYSA-N 432.505 5.347 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cc1sc(C)nc1-c1cccs1 916900033 LZWJLCIXIQQBQU-KRWDZBQOSA-N 437.590 5.195 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N(c4c(C)cc(C)cc4C)C3)n2)cc1 916974203 GQFYMPLRRRQGBF-NHCUHLMSSA-N 443.572 5.273 30 20 IKED C/C=C/c1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(OC)c1 916977322 PYORZVMFSVNVLT-OAJJDEHYSA-N 438.936 5.760 30 20 IKED Cc1cc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c(C)n1C1CCCCC1 920265831 VFYZXOXGFBXSEJ-HYGBKTPJSA-N 430.577 6.018 30 20 IKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920804482 RLQFTZPZSWQWNA-UWJYYQICSA-N 449.482 5.229 30 20 IKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@H](CC)c3ccccc3)CCC2)cc1 1786364026 HGFMBXIRPGKWHJ-XMMPIXPASA-N 434.580 5.297 30 20 IKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CCC2)cc1 1787648401 BUOKNALYCBYAJG-UHFFFAOYSA-N 438.487 5.089 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccnc5ccccc45)cc3)CCC2)cc1 1788891006 KUBCZJUHHSVASE-UHFFFAOYSA-N 446.510 5.168 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3c(C)nc4sccn34)CCC2)cc1 1789453882 HTZPVCMCKDSAEH-HXUWFJFHSA-N 448.592 5.220 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)nn3C(F)F)CCC2)cc1 1789455729 AZJUQWQFRKDKJS-IBGZPJMESA-N 442.510 5.103 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3ccoc3c2)[C@@H]1c1cccnc1 1812149158 XUEOSKPWJOZIQF-VWNXMTODSA-N 445.563 5.140 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2oc3ccccc3c2C)n[nH]1 1818569285 IVTOSZJTJMALJE-FQEVSTJZSA-N 448.567 5.763 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc(C(F)F)c2)CC1 1825404109 AWLMMJGEKSJXBS-NRFANRHFSA-N 447.570 5.245 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1 1831444177 KJZQTGOXENCYEL-FCHUYYIVSA-N 432.555 5.011 30 20 IKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C)c3ccccc23)CC1 1831862128 OIBLELKUDAQEQT-SANMLTNESA-N 432.608 5.277 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2ccccc2Oc2ccccc2)C1 1844867414 HGKLOLCEPYZJFK-JOCHJYFZSA-N 430.548 5.064 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)C1 1846896712 YBTKIZBIVIPFOI-OAHLLOKOSA-N 441.786 5.232 30 20 IKED CC[C@H](CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1ccccc1 15569157 VHCVKGYUVSIMGR-HXUWFJFHSA-N 443.572 5.213 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)C(c2ccccc2)c2ccccc2)cc1 22691238 PGIBZXXWVCAFSR-NRFANRHFSA-N 426.516 5.006 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(F)cc2F)cc1 22727167 ZEIUYQYOMNOUHG-UHFFFAOYSA-O 433.450 5.144 30 20 IKED CN(Cc1ccc(Br)s1)C(=O)c1cccc(OCc2ccccc2C#N)c1 108849532 FYMBQPMQZJKHOC-UHFFFAOYSA-N 441.350 5.233 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)c2)cc1 303136018 CBFDLPSTHDYHKG-UHFFFAOYSA-N 433.895 5.093 30 20 IKED COc1cc(CN(C)C(=O)c2cccc(COc3ccccc3C#N)c2)ccc1SC 303515707 CEESMPANPABCHR-UHFFFAOYSA-N 432.545 5.140 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCCN(c3ccccc3)C2)cc1 303630798 FNXOOVGWRQRHCS-JOCHJYFZSA-N 427.573 5.249 30 20 IKED Cc1ccc(F)cc1NC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 303849213 NEFUODYWMACLID-UHFFFAOYSA-N 425.300 5.269 30 20 IKED CCc1ccccc1N(C(C)=O)c1nc(CN[C@H](CCCC#N)c2ccccc2)cs1 433031360 IXXSEJVUKNGRBQ-HSZRJFAPSA-N 432.593 5.915 30 20 IKED C[C@@H]1Cc2cc(-c3ccc(CNCc4cn(CCC#N)nc4-c4ccncc4)cc3)ccc2O1 433328623 AQEFXSSEIGGRRJ-HXUWFJFHSA-N 449.558 5.139 30 20 IKED COc1cc([C@H](C)NC(=O)N[C@H](CCC#N)c2ccccc2)ccc1OCc1ccccc1 438853410 PBQDAQKYIWYYCY-GBXCKJPGSA-N 443.547 5.679 30 20 IKED CCCc1c(NC(=O)c2[nH]c3ccccc3c2Br)cnn1-c1cccc(C#N)c1 440072003 BVNBXQAQMZCCSJ-UHFFFAOYSA-N 448.324 5.193 30 20 IKED CCCc1c(NC(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)cnn1-c1cccc(C#N)c1 440098631 JMPDUIWTGQSZTC-UHFFFAOYSA-N 443.551 5.242 30 20 IKED C[C@H](NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1nc2ccccc2n1C(F)F 442078656 KEUBTKVTGGWQAH-JTQLQIEISA-N 439.344 5.084 30 20 IKED CC[C@@H](C)[C@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccc(Cl)cc1 442161852 BADIVVIGLNSMLV-QRWLVFNGSA-N 429.973 5.188 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)cc1 442536116 CUAJNQXMZWDWGS-MRXNPFEDSA-N 447.922 5.045 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CCCO)[C@H]1CCc2ccccc21 444020330 BWFJVAWQINOCHH-SANMLTNESA-N 441.531 5.563 30 20 IKED CC(C)(C#N)CCCCN1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 444646154 AOVJNIICXLDILB-UHFFFAOYSA-N 427.486 5.015 30 20 IKED C=CC[C@@H]1N(C(=O)CCc2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)CCCC1(C)C 444648582 YNJTYHIXXNYICI-YJBOKZPZSA-N 427.614 5.048 30 20 IKED O=C(CN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1F 444744680 QNIVMSQOFGPZJJ-OAHLLOKOSA-N 426.307 5.205 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1noc(C2CCCCC2)n1 448233138 BCDXULAMPIULFI-HNNXBMFYSA-N 430.599 5.241 30 20 IKED N#CCCN(C(=O)c1cccc(NC(=O)c2cccs2)c1)C12CC3CC(CC(C3)C1)C2 460462475 VBPMORXPKKXZPE-UHFFFAOYSA-N 433.577 5.325 30 20 IKED Cc1ccccc1[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCO1 461832243 ISSRIWGQFLWSAJ-LADGPHEKSA-N 427.552 5.036 30 20 IKED COc1cc(CN[C@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)c([N+](=O)[O-])cc1F 464478769 GKGZDHAMGLLKSO-OAHLLOKOSA-N 442.287 5.034 30 20 IKED COc1cccc(F)c1[C@@H](C)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 466114892 GHVVXMJWLTYTNL-QGZVFWFLSA-N 433.483 5.362 30 20 IKED COc1ccc(C(C)(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC 466311849 MIJYDDOTQJKBNA-UHFFFAOYSA-N 430.504 5.593 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H](C)O[C@@H](c2ccsc2)C1 470600420 LXPVWUKOVVLCNT-MHECFPHRSA-N 447.560 5.501 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)cc1 473669836 GMXAATSKUZGXJG-UHFFFAOYSA-N 445.494 5.091 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccc(OC(F)F)c(OC)c1)C1CC1 475543562 DUYQGQIPXQQXBM-UHFFFAOYSA-N 444.522 6.345 30 20 IKED CCCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H](c1cccnc1)c1ccc(F)cc1F 475761637 JPRNQYBWLZWOAP-DEOSSOPVSA-N 433.502 5.803 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 476116900 FUWCJQQBXCUPLS-SFTDATJTSA-N 448.607 5.959 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 480941325 MCBZBFRLQVJVNL-KRWDZBQOSA-N 428.398 5.585 30 20 IKED CCc1onc(-c2ccc(Br)cc2)c1C(=O)[C@@H](C#N)c1nccc2ccccc12 483974650 FEAKCMWXVCRQKY-SFHVURJKSA-N 446.304 5.705 30 20 IKED C[C@@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1Cl 486238379 AFDGRIVQMJKAHG-GFCCVEGCSA-N 429.958 5.238 30 20 IKED O=[S@](Cc1coc(-c2c(F)cccc2F)n1)Cc1cc(F)c(C(F)(F)F)cc1F 488722514 GHJBCUKNBOQABP-LJAQVGFWSA-N 437.336 5.366 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)nnc1-c1ccccc1C 488925095 IWHARNGMKSZHJG-CYBMUJFWSA-N 448.379 5.261 30 20 IKED C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@@H]1CCN(Cc2ccccc2)C1 490274826 OXYVSGVNNUOXMP-NZQKXSOJSA-N 441.600 5.350 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCOc2ccc3ccccc3c2)cc1C 493973145 KHFJGMFUBJRPEG-UHFFFAOYSA-N 438.531 5.043 30 20 IKED C[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccc(-c2ccncc2)cc1 498703886 LYPPRQJNVKSVNG-GOSISDBHSA-N 444.510 5.073 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2cc(Cl)ccc2N2CCSCC2)c1 502465259 PXESBJPUFAKAHI-UHFFFAOYSA-N 430.961 5.220 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(Cl)cc3OCC(F)(F)F)CC2)cc1 503496192 JBXVLURGHBMLDG-UHFFFAOYSA-N 435.833 5.474 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)cc1 505113092 HNDCJTLGSRDRTD-DEOSSOPVSA-N 432.907 5.004 30 20 IKED N#C[C@H](NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1)c1ccccc1Cl 505641029 YJYRKEVVNRUBAL-IBGZPJMESA-N 434.908 5.016 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N(CCc2ccccc2)Cc2cccnc2)cc1 510692515 DXKZKQGYHIDWJI-UHFFFAOYSA-N 448.526 6.022 30 20 IKED CC(C)Oc1ccccc1CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 511593641 AQXIUKZUBLWRLY-UHFFFAOYSA-N 429.520 5.441 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F 511872737 JDEUKPONBXQBJV-PKOBYXMFSA-N 429.536 5.034 30 20 IKED Cc1ccc2nc(COc3ccccc3C(=O)[C@@H](C#N)c3nc4ccccc4s3)cn2c1 513695734 KZKFBYFHUPECIR-LJQANCHMSA-N 438.512 5.322 30 20 IKED C[C@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 516735683 RXFUQUCWFNDHSZ-MRXNPFEDSA-N 433.895 5.162 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H]3Cc3ccccc3Cl)s2)cc1 517712694 JQNPELSQLLQZOS-IBGZPJMESA-N 436.968 5.498 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(CC2CCCCC2)C2CC2)cc1Cl 518154079 DIONMTKCQSAFBV-QHCPKHFHSA-N 449.982 5.505 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)cc1 518500935 HKOQXAYGNLPZOA-UHFFFAOYSA-N 449.938 5.408 30 20 IKED Cc1ccc2c(C3=CCN(C(=O)Nc4ccccc4S[C@@H](C)CC#N)CC3)c[nH]c2c1 518752503 QZIQDMQUXWBKOU-SFHVURJKSA-N 430.577 6.192 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(CN(C)Cc2ccccc2)CC1 520196824 FKSHOKGEFUJDEV-HXUWFJFHSA-N 436.625 5.457 30 20 IKED C=CCn1c(SCC(=O)N(Cc2cccs2)C(C)C)nnc1-c1ccc(Cl)cc1 520331871 LCYWVMUIMHAPNL-UHFFFAOYSA-N 447.029 5.375 30 20 IKED C[C@@H]1c2ccsc2CCN1C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 521196114 ZSCQECYBBPQWQK-QRWLVFNGSA-N 449.963 5.141 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 521900909 DOPCPWNVKJUTKD-RUZDIDTESA-N 438.531 5.199 30 20 IKED COCCSc1ccc([C@@H](C)NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1 522302571 HBICHEFEMJEFFY-LJQANCHMSA-N 446.572 5.367 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1 523310803 MIQRVUHIRDKFLO-UHFFFAOYSA-N 438.531 5.885 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnc2c(cnn2C(C)C)c1 524250059 ZUHXQDXMPCHPBF-UHFFFAOYSA-N 425.492 5.024 30 20 IKED CCCOc1ccccc1Oc1ncccc1CNC(=O)c1ccc(C2(C#N)CC2)cc1 537427760 XWSJIHZFMWMVPQ-UHFFFAOYSA-N 427.504 5.148 30 20 IKED COc1ccccc1-c1ccc([C@H](C)N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 538258174 VNWKFZCTLGYERP-DLBZAZTESA-N 445.588 5.462 30 20 IKED CN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 542589752 GOJWZHVORHPPSC-JYFHCDHNSA-N 444.506 5.676 30 20 IKED C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 543874797 QDWLWEROPAUWPZ-SJORKVTESA-N 439.475 5.595 30 20 IKED COc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1OC(C)C 546161267 PZACPGLOADBVNQ-UHFFFAOYSA-N 432.524 5.129 30 20 IKED C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)c2ccc(C)cc2C)CC1 549603562 HEBZHHHYYWQJNK-UHFFFAOYSA-N 439.563 5.109 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(Cc2nc3ccccc3[nH]2)CC1 552368284 VZTIQNSMHALNFD-UHFFFAOYSA-N 436.515 5.322 30 20 IKED C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1cccs1 559161091 OHQFRJXYFOSPOC-QGZVFWFLSA-N 447.539 5.175 30 20 IKED Cn1ccc2ccc(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)cc2c1=O 567256907 CTYWFBFCDWRHGX-UHFFFAOYSA-N 429.863 5.108 30 20 IKED N#CCCN(C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1ccc(F)cc1 567499535 DWYHKQQYSNLVTK-UHFFFAOYSA-N 444.441 5.606 30 20 IKED COc1ccc([C@@H](CCC#N)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1 569187019 SHUJNZZHRWDTEE-MUUNZHRXSA-N 436.559 5.742 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)C1CCN(c2nc3ccccc3o2)CC1 571948968 XGWXLEZMLYNUDM-UHFFFAOYSA-N 436.515 5.149 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC(Cc4nc5ccccc5[nH]4)CC3)c2)cc1 572144355 LERRJIMSYHGXAF-UHFFFAOYSA-N 436.515 5.322 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)NCc3cccc(OCC(F)(F)F)c3)cc2)ccn1 572414489 ZDTBDBFLDBYXKJ-UHFFFAOYSA-N 442.397 5.008 30 20 IKED N#Cc1ccc(CNC2(c3cccc(C(F)(F)F)c3)CCOCC2)c(C(F)(F)F)c1 579181048 NYZZVZPDEBSOFD-UHFFFAOYSA-N 428.376 5.391 30 20 IKED Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(C#N)CC2)n1Cc1ccccc1 583037062 HUADSIWDIGNXSB-UHFFFAOYSA-N 449.986 5.040 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CC2 603521264 FDZAQFTWTXMXHD-HMMYKYKNSA-N 435.552 5.927 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1 603968563 BHOPNEXOJRDBDO-UHFFFAOYSA-N 443.572 5.097 30 20 IKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604500079 XDNUYVUDAZZTDW-OAHLLOKOSA-N 440.425 5.989 30 20 IKED CC[C@H](C)n1ncc2c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cc(C)nc21 604566805 SZBACHFLKVCZPJ-INIZCTEOSA-N 426.480 5.022 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1Oc1ccncc1 604691305 YVWMPFDYIUNBKH-KRWDZBQOSA-N 447.466 6.074 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(OC(C)C)cc1C(F)(F)F 608843582 RYNPTRUBYOWBGL-UHFFFAOYSA-N 431.458 5.262 30 20 IKED Cc1ccc(COc2ccc(C[C@@H](C)NC(=O)N(C)Cc3ccc(C#N)cc3)cc2)cc1 608914266 LMSQOYXFBYBPQZ-OAQYLSRUSA-N 427.548 5.218 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)COc1cccc(C(F)(F)F)c1 609061611 FIAXLFAOCPVPPJ-UHFFFAOYSA-N 440.421 5.482 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)Cc3coc(-c4ccccc4)n3)cc2Cl)c1 609063232 RVZYQEZUBGECPZ-UHFFFAOYSA-N 443.890 5.627 30 20 IKED C[C@](CC(=O)O)(C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)C1CCCCC1 609387692 FXKZBOOMDDJEEP-HXUWFJFHSA-N 442.503 5.711 30 20 IKED COc1ccccc1OCc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)o1 609427435 TZXTYLRYGWATAX-UHFFFAOYSA-N 440.455 5.783 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(-n4cccn4)cc3C(F)(F)F)cc2)nc1 609499537 KYQJAVAKTTXOAD-UHFFFAOYSA-N 449.392 5.202 30 20 IKED COc1cc([C@H](C)NC(=O)N[C@@H](C)c2cccc(C#N)c2)ccc1OCc1ccccc1 610348122 KIVUAKDNIIYRND-OALUTQOASA-N 429.520 5.267 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 610632531 LNQCTXGBGKNIKO-HNNXBMFYSA-N 433.499 5.806 30 20 IKED N#CCn1c(C(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)cc2ccccc21 610719250 GOPIDTIXODZSRU-UHFFFAOYSA-N 448.448 5.421 30 20 IKED COc1ccc(-c2nnc(SCc3ccnc(C#N)c3)n2C2CCCCC2)cc1OC 610955250 ZAAKQAXELQYMIU-UHFFFAOYSA-N 435.553 5.026 30 20 IKED O=C(c1cc2ccccc2n1CC(F)(F)F)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 683744777 ODEIYSWRYSWBEK-PHIMTYICSA-N 432.286 5.016 30 20 IKED COc1ccccc1N1C(=O)/C(=C/c2cccc(OCCCC#N)c2)c2ccccc2C1=O 726743229 ABTLFWLKCBJKES-PTGBLXJZSA-N 438.483 5.105 30 20 IKED Cc1cc(C(=O)Nc2ccccc2NC(=O)c2ccccc2)c(C)n1-c1ccc(C#N)cc1 728268406 ZWSQXNAFMQLFDE-UHFFFAOYSA-N 434.499 5.470 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C/c2cccnc2Cl)C(=O)c2ccccc2)c(Cl)c1 728699610 VOEOEPLHZYHYNN-QGOAFFKASA-N 425.315 5.910 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 731114698 VGKZAUFVZCLPTD-KXBFYZLASA-N 433.499 6.326 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc(C)c(-c3ccc(F)cc3)s2)ccc1OC 733229940 JJVQYLWLPVGYIJ-IBGZPJMESA-N 438.524 5.482 30 20 IKED N#CCOc1ccc(COC(=O)[C@H](Oc2ccc(F)cc2Cl)c2ccccc2)cc1 733490627 IXVSRGMNKRJPGL-JOCHJYFZSA-N 425.843 5.245 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(-c2ccccc2)cc1)[n+]1cc(O)cc(Cl)c1 738013203 NRHFGWUEGUJNGF-UHFFFAOYSA-O 437.972 5.377 30 20 IKED C[C@H]1CN(c2ccccc2NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C[C@H](C)O1 740441861 ZIBQWABBIJUIIL-ROUUACIJSA-N 446.576 5.222 30 20 IKED O=C(/C=C/c1ncc(-c2ccc(Br)cc2)[nH]1)c1cccc(-c2ccncc2)c1 741473219 OLJOUAMYQCQWQR-CMDGGOBGSA-N 430.305 5.797 30 20 IKED Cc1nn(C)c2nc(Cl)c(C=NNc3c(Cl)cc(Br)cc3Cl)cc12 741841894 CSSAOVOWBSVOJO-UHFFFAOYSA-N 447.551 5.445 30 20 IKED C/C(=C\C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1C(F)(F)F 745270989 FVPRJQVGXZGODF-RSKUSDAESA-N 448.466 5.101 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCCC[C@@H]2c2cccc(C)c2C)ccc1OC 745819676 ONCDQLCLYFPWAZ-JTHBVZDNSA-N 435.568 5.430 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc(-c2ccccc2)ns1 747204769 MKXZXMCDXRZBNJ-LJQANCHMSA-N 439.496 5.564 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1cnc(-c2ccc(C)cc2C)s1 747263542 LEZJOGSKCUBWCJ-KRWDZBQOSA-N 440.590 5.249 30 20 IKED CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 751543861 SOMMCSZQHRPNMO-UIOOFZCWSA-N 445.538 5.705 30 20 IKED CC(=O)N(c1nc(CON=C(c2ccccc2)C(F)(F)F)cs1)c1cccc(C)c1C 751966197 VCRXELGCYNSQAR-UHFFFAOYSA-N 447.482 5.928 30 20 IKED Cc1ccc(-c2nc(C=Nn3c(S)nnc3-c3cc(Cl)ccc3Cl)co2)cc1 755552587 IXPGHLFQOWAXOR-UHFFFAOYSA-N 430.320 5.386 30 20 IKED COc1ccc(C(=O)CCCCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1 760197406 XBGMCENOCJLPRY-KRWDZBQOSA-N 425.435 5.060 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1Br 760258543 JVTMQZLIWUDURX-AWEZNQCLSA-N 441.354 5.281 30 20 IKED CCC(CC)c1cc[n+](/C(C(=S)NCc2cccs2)=C(/O)c2ccc(C#N)cc2)cc1 762445265 LFJYUWACYWXRJJ-UHFFFAOYSA-O 448.637 5.812 30 20 IKED O=C(CCSCc1c(F)c(F)c(F)c(F)c1F)Nc1ccccc1C(F)(F)F 764639114 DBYZAGMLOZOSHV-UHFFFAOYSA-N 429.332 5.663 30 20 IKED CC(C)(CC#N)COC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 764835442 UYLNLCQNXSDGOD-UHFFFAOYSA-N 429.542 5.178 30 20 IKED Cc1nc2sc3c(c2c(=O)n1N=Cc1csc(-c2ccc(F)cc2)n1)CCCCC3 767031543 BWSBRKZKYBENMI-UHFFFAOYSA-N 438.553 5.180 30 20 IKED O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(N2CCOC2=O)cc1 771857301 CVHMSOGPJRKPNZ-LZCJLJQNSA-N 429.316 5.577 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 772148649 SHLNKHJHDFSXFN-DEOSSOPVSA-N 441.531 5.870 30 20 IKED C[C@H](CC(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3)Cc1ccc(Cl)cc1 772637143 JZQHEWGCRPJPKN-SUMWQHHRSA-N 439.968 5.374 30 20 IKED CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2csc(-c3csc(C)n3)c2)ccc1OC 772979796 MWKVXPQPHDSPGM-KDOFPFPSSA-N 427.595 5.720 30 20 IKED C[C@@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CCN1C(=O)OC(C)(C)C 773807268 LJZDECDGMNBYPQ-WIYYLYMNSA-N 449.551 5.063 30 20 IKED C[C@H](NCc1cc(Cl)ccc1OCC#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 775203432 RKMPMURYZUCNOJ-INIZCTEOSA-N 437.902 5.485 30 20 IKED C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(N(C)C)cc1 775518492 HTBFWMPREYYIJH-IBGZPJMESA-N 428.536 5.280 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NCCSCc3ccnc(Cl)c3)cc2)cc1 777451939 KOOXVPIVTOBSIG-UHFFFAOYSA-N 437.952 5.257 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1oc2ccccc2c1CSc1cccs1 780178489 TVGBLSCJUIDJIK-OAHLLOKOSA-N 434.542 6.330 30 20 IKED COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)Nc1ccccc1O[C@@H](C)C#N 780178497 TWJZCUGNOAJODU-ZDUSSCGKSA-N 445.903 5.239 30 20 IKED CCN(Cc1ccccc1NC(=O)Nc1ccccc1O[C@@H](C)C#N)C(=O)OC(C)(C)C 780581196 MRYYFGYPKJJUTL-KRWDZBQOSA-N 438.528 5.378 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 780669435 CLJDHBFLNHSHKP-QMHKHESXSA-N 437.902 6.023 30 20 IKED CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)Nc1ccccc1O[C@@H](C)C#N)OCC3 781034233 BTMGBDTZRHGWED-MRDQGFSESA-N 431.536 5.228 30 20 IKED Cn1cc(/C=C\C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)c(C2CCCCC2)n1 783710117 AASLHEUDUYRAFK-SSZFMOIBSA-N 426.582 5.080 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(C(F)(F)F)c(F)c1 784490147 CNQYTKXWOHIMQX-MRXNPFEDSA-N 442.368 5.598 30 20 IKED Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 786766848 UNSCOHSBUDPMDQ-HXUWFJFHSA-N 428.442 5.367 30 20 IKED C=CC[C@]1(C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)CCCN1C(=O)OC(C)(C)C 790650444 JMSRMUGKLDVHAE-XJFCNFDWSA-N 448.629 5.018 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCc1ccccc1NC(=O)OC(C)(C)C 790910113 BSXCHKSOTAZIOE-KRWDZBQOSA-N 439.581 5.857 30 20 IKED C=CC[C@H](OC(=O)Cn1nc(-c2ccccc2)ccc1=O)c1ccc(Cl)c(Cl)c1 797554217 RBWOOVPBWYUNRP-FQEVSTJZSA-N 429.303 5.078 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)OCc3coc(-c4ccc(C(F)(F)F)cc4)n3)CC2)c1 803923456 NQJKHVVCGXQUCZ-UHFFFAOYSA-N 430.357 5.146 30 20 IKED COC(=O)C[C@](C)(NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(F)c1 806200604 IJRIRXSOCVOTCX-OZXSUGGESA-N 445.494 5.081 30 20 IKED N#Cc1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1Br 808871234 GMUVARTURVZPSX-UHFFFAOYSA-N 429.277 5.183 30 20 IKED COc1cc(/C=C\C(=O)c2cccc(-c3ccncc3)c2)cc(OC)c1OCC(F)F 809154538 XVKXTUMTUKJSGA-SREVYHEPSA-N 425.431 5.306 30 20 IKED N#C[C@@H](C(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1cc(C(F)(F)F)ccn1 813212741 GKPWSOKOANCTHQ-GFCCVEGCSA-N 432.751 5.681 30 20 IKED CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc(C#N)c2)NC(=O)N1Cc1ccccc1 839392605 LSMWCYNCQVMSBN-RUZDIDTESA-N 436.515 5.046 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1ccc(OCc2ccccc2)cc1 857314237 UXCMMSLXOZISOT-HXUWFJFHSA-N 429.520 5.021 30 20 IKED C=C(Cl)CSc1nc(C)c(Cc2nc(C3(C(=O)OC(C)(C)C)CCC3)no2)s1 904831074 MPSGGUBLKABTGN-UHFFFAOYSA-N 442.006 5.033 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1Cl 916683685 DUQBOFHRYJSNIR-DEOSSOPVSA-N 444.966 5.917 30 20 IKED COc1ccc2oc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c(C)c2c1 917042407 FDEPRFQXQKVXHC-AWEZNQCLSA-N 430.407 5.868 30 20 IKED CCN(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)Cc1ccc(Cl)c(Cl)c1 917407805 DBAWJJONLTYARM-INIZCTEOSA-N 425.319 5.053 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2cccc(Cl)c2Oc2cccnc2)cc1OC 919855823 BSNCPKZELZIWRI-BENRWUELSA-N 436.895 5.753 30 20 IKED Cc1cc(C#N)cc(NC(=O)CSCc2nc(O)c3c(-c4ccccc4)csc3n2)c1 1535886502 MLJYORHQGZVRBB-UHFFFAOYSA-N 446.557 5.116 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc5c(C)snc5s4)CCC3)cc2)C1 1785806663 KTKWNCZXXMIMIB-UHFFFAOYSA-N 437.590 5.380 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCc3ccnc(C)c3)cc2)CCC1 1786740845 GQNNPHCYSUTJOJ-DEOSSOPVSA-N 431.580 5.225 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCc4ccoc4C3)CCC2)cc1 1789449139 OBHNHLHWCHMMNF-NZQKXSOJSA-N 432.564 5.287 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccccc4n3C)CCC2)cc1 1791299363 DOGPDADDYIRWFX-UHFFFAOYSA-N 437.490 5.137 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccnc1 1802502982 OVJXZBKXWGALMN-ISKFKSNPSA-N 433.596 5.010 30 20 IKED CC(C)Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@@H](C)C#N)c2)cc1 1803684057 GKMCLMSOSCRNAG-XSGUUIGASA-N 443.591 5.078 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nc(C(C)C)cs2)n[nH]1 1816061846 GPPFWKPTAROMHI-QFBILLFUSA-N 441.601 5.064 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3ncccc3c2)n[nH]1 1818478720 YZKGODMEJLPEPT-REWPJTCUSA-N 443.551 5.032 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3cnccc23)n[nH]1 1819128525 HOUZIZMPMLTHLN-JOCHJYFZSA-N 445.567 5.256 30 20 IKED Cc1nc(SC[C@H](O)COc2ccc(CC#N)cc2)c2cc(-c3ccccc3)sc2n1 15237687 AAMBMJNDZQSKJJ-LJQANCHMSA-N 447.585 5.265 30 20 IKED C=CCN(C(=O)CSc1ncccn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 18218992 NGKMRYHAOZGGFR-UHFFFAOYSA-N 437.377 5.218 30 20 IKED C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 22132917 MNXSSASWMDCAND-QFNCUCFLSA-N 445.592 5.036 30 20 IKED C[C@@]1(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)Cc2ccccc2C(=O)O1 107877737 FRRVWBUEOVUUEO-OFVILXPXSA-N 430.891 5.106 30 20 IKED CC[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1nc(C)cs1 303253748 NVDMWOJYRLFHON-LJQANCHMSA-N 440.956 5.828 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccc(OCc2ccccc2)cc1 303297036 CFGFRWVYKNQBRU-LJQANCHMSA-N 431.561 5.710 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)cc1 303316269 QDCIEHVODAJFRL-SFHVURJKSA-N 446.576 5.507 30 20 IKED Cc1ccc(Cc2cnc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)s2)cc1F 428205502 PRUQWMYHEXNTHD-UHFFFAOYSA-N 445.523 5.211 30 20 IKED Cc1ccsc1[C@H](CO)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 429094780 FBGGEGMXCJDXRM-ICSRJNTNSA-N 425.941 5.221 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(Br)c(Cl)c3)CC2)cc1 432286645 ZYYSAKIHODGRQD-UHFFFAOYSA-N 434.721 5.049 30 20 IKED COc1cc(Br)c(NC(=O)c2sc3ccc(C#N)cc3c2C)cc1OC 432415266 BWDMZTDCCFEFGY-UHFFFAOYSA-N 431.311 5.113 30 20 IKED C=CCn1c(SCc2ncc(Br)s2)nnc1-c1ccc(Cl)cc1 432545269 HWTDXIKHVLKYAC-UHFFFAOYSA-N 427.780 5.296 30 20 IKED N#CCCn1cc(CNc2ccc(Oc3ccc(Cl)cc3)nc2)c(-c2ccncc2)n1 432759984 XRKFQQLAZISCTF-UHFFFAOYSA-N 430.899 5.312 30 20 IKED CCn1nccc1C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 433239300 KBPPDZKUELOWDW-UHFFFAOYSA-N 449.942 5.632 30 20 IKED C=CCN(CCC#N)C(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCCCC1 433260846 SYMGAJYCLFZANM-UHFFFAOYSA-N 436.581 5.283 30 20 IKED Cc1ccc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1NC(=O)c1ccccc1F 436352592 NZCZLUXIYLERJW-DHLKQENFSA-N 441.506 5.298 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(OCC)c(F)c1)c1ccc(C(F)(F)F)cc1 442038922 APTRMBKHQPDXAC-GOSISDBHSA-N 438.421 5.005 30 20 IKED Cn1c(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc2cc(C(F)(F)F)ccc21 442860154 KQUKSTSGZFADIH-HNNXBMFYSA-N 426.423 5.206 30 20 IKED CC(=O)Nc1ccc(C)c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 444457253 XQLKLURHISFMGG-KRWDZBQOSA-N 444.343 5.874 30 20 IKED N#Cc1cccc(-c2nnc(CN[C@@H](CC(F)(F)F)c3ccc(C(F)(F)F)cc3)o2)c1 444738666 CNPBEUQCMHUARF-INIZCTEOSA-N 440.347 5.410 30 20 IKED Cc1c(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cnn1C1CCCC1 444904957 PUDSHHBWTULTQB-UHFFFAOYSA-N 449.942 6.055 30 20 IKED C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 460784037 QTGRSNQEPFHSTQ-BCOMRZATSA-N 428.989 5.109 30 20 IKED C[C@H](C(=O)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1)c1cccc(C#N)c1 462594871 RUBDQNKERRBILS-SJCJKPOMSA-N 425.248 5.234 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 465771456 UZPDVUKOVKPZHR-LOSJGSFVSA-N 444.579 5.187 30 20 IKED Cc1cnc([C@@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C2CC2)s1 466119705 XKFVKDZBXYYSNB-QFIPXVFZSA-N 432.549 5.369 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1 468353603 RCISVRMMOGVAOB-DEOSSOPVSA-N 438.934 5.045 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@@H](c3c(F)cccc3F)C2)cc1 469446920 VLSJBLNKMAYNQO-LJQANCHMSA-N 447.485 5.631 30 20 IKED CC(C)[C@H](SCc1ccccc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469953846 RVHYOFNZVNBXJO-DEOSSOPVSA-N 435.593 5.166 30 20 IKED Cc1nc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)sc1Cc1cccc(Cl)c1F 471157525 SEYDWGWAAFUFSV-KRWDZBQOSA-N 438.915 5.027 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 476130862 CSMSITRUTORMHN-UHFFFAOYSA-N 448.636 6.015 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1 476165893 WARWPLRXJOOVHE-UHFFFAOYSA-N 442.625 5.140 30 20 IKED C=C(C)[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(F)c(F)c1 477645039 OOIZOZFEKBBYKX-MRXNPFEDSA-N 432.776 5.009 30 20 IKED C=C(C)Cn1c(SCc2ccc(OCc3ccccc3F)nc2)nnc1-c1ccncc1 479099220 KJNDZCZIXMNSJK-UHFFFAOYSA-N 447.539 5.322 30 20 IKED CN(C(=O)c1ccc(Oc2ccc(Br)cc2)nc1)c1cc(Cl)ccc1C#N 479562976 ABQZBBUFWPQKJK-UHFFFAOYSA-N 442.700 5.438 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(OC(F)F)c2cccnc12 481332490 TXTZSNSFQPVDEZ-UHFFFAOYSA-N 429.471 5.224 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C(=O)Nc1ccccc1 481380731 MNVXGZNWADHXHD-KKSFZXQISA-N 432.911 5.144 30 20 IKED Cc1nc(-c2ccc(S(=O)(=O)N(Cc3ccco3)c3ccccc3C#N)s2)cs1 481614645 WYUJBILKQCDNNI-UHFFFAOYSA-N 441.559 5.040 30 20 IKED Cc1nc(NC(=O)c2c(-c3ccc(Cl)cc3Cl)noc2C)sc1SCC#N 486044741 ZMXMLXXNZLKLQM-UHFFFAOYSA-N 439.349 5.590 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N3CCC4(CC3)OCCc3ccsc34)c2)cc1 491821074 JGFMASHEMIOKMB-UHFFFAOYSA-N 429.545 5.068 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)NCC(C)(C)CCC#N 497725181 IMGQZZGRMOQWLP-CQSZACIVSA-N 449.418 5.571 30 20 IKED CN(C(=O)c1ccccc1Sc1ccccc1C#N)C1CCN(Cc2ccccc2)CC1 499489349 VNSWHTIUTFKEPD-UHFFFAOYSA-N 441.600 5.446 30 20 IKED C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(OCC(F)(F)F)cc1 502230665 BYSUHBIBWFCFTL-OAHLLOKOSA-N 444.409 5.162 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)cc1 502604873 HDRIXXJXSGALNJ-UHFFFAOYSA-N 434.927 5.512 30 20 IKED C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 503907481 FPUGJAKEQDVFRC-MRXNPFEDSA-N 433.964 5.556 30 20 IKED C=CCCc1ccccc1NC(=O)NC1(c2ccc(Br)cc2)CCOCC1 505022248 BVCBAZHZYUVQGF-UHFFFAOYSA-N 429.358 5.395 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)cc1 505697975 PBHLVNCUWYNPKN-UHFFFAOYSA-N 441.491 5.246 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1 508262682 BRDHSEUCHBHYCB-QFIPXVFZSA-N 431.467 5.867 30 20 IKED C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC2(CC1)OCCc1ccsc12 508811740 IPNBHEKSDPVMQN-OAQYLSRUSA-N 434.609 5.136 30 20 IKED C=CCn1c(-c2cn(-c3ccccc3)nc2-c2ccccc2)nnc1N1CCC(C)(C#N)CC1 508949388 HWDQABUEHIHEJS-UHFFFAOYSA-N 449.562 5.114 30 20 IKED CC(C)(C)c1cnc(CCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)o1 509480553 RUPMRMYQWVOHSI-UHFFFAOYSA-N 425.476 5.568 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](Nc3ccccc3)C2)cc1Cl 517896649 LQKYBYYLDXVEBO-JTHBVZDNSA-N 430.939 5.714 30 20 IKED C=CCN(C(=O)c1cc(-c2ccco2)nc2onc(CCC)c12)c1nc2c(s1)CCCC2 517906690 KYLLGPKIBNENQX-UHFFFAOYSA-N 448.548 5.603 30 20 IKED Cc1[nH]c2ccccc2c1C1=CCN(C(=O)NCCSCc2ccccc2C#N)CC1 517957855 PFQCERMTRASMPH-UHFFFAOYSA-N 430.577 5.080 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1 518709835 ARMXTVYRKVJIPI-OAQYLSRUSA-N 436.298 5.439 30 20 IKED N#C[C@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2Cl)CCC3)CCO1 520684592 WBSLPRIGOQSBHI-BSKAQADGSA-N 443.934 5.130 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)cc2)c1 521328091 HJLOOUFOPNMZKO-SANMLTNESA-N 447.494 5.460 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1COCc1ccccc1 521711373 XXFPZRZGTTXFIA-UHFFFAOYSA-N 431.492 5.532 30 20 IKED COC(=O)C[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(SC)cc1 521748206 PUWRJRSDGVUJOQ-HNAYVOBHSA-N 443.594 5.086 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC=C(c3ccc(O)cc3)CC2)c1 522631553 DTDNNZOMIDIJNH-UHFFFAOYSA-N 430.891 5.639 30 20 IKED N#CCCn1ccc(NC(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)n1 522728837 ZQNWHCAMLHWMLW-UHFFFAOYSA-N 436.924 5.741 30 20 IKED CN(C)c1cccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 522791677 PRUNIUYYLXWQMU-XMMPIXPASA-N 426.520 5.786 30 20 IKED N#C[C@@H](C(=O)c1oc2ccccc2c1CSc1ncccn1)c1nc2ccccc2s1 523251053 GEDXEQQGMJTVKS-HNNXBMFYSA-N 442.525 5.615 30 20 IKED COC1CCC(N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 523766588 PDQSUXCXCSZJED-UHFFFAOYSA-N 427.932 5.212 30 20 IKED N#Cc1cc(NC(=O)c2c[nH]nc2-c2cccnc2)ccc1Oc1ccc(C(F)(F)F)cc1 525773308 OUINYPJUZJHBIH-UHFFFAOYSA-N 449.392 5.407 30 20 IKED Cc1ccc(C#N)cc1NC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 530833044 GYMFZKYQKJLLFS-UHFFFAOYSA-N 434.293 5.134 30 20 IKED CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 536735393 XJKPWOJEXPCDQR-BVZFJXPGSA-N 447.510 5.368 30 20 IKED C=CCN(C(=O)[C@H]1C[C@H](C)O[C@H](C)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 537711036 RYMHEPHNQNJNOX-AGGWBTHJSA-N 425.381 5.840 30 20 IKED Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 538201237 IKHKOKXJBITIEP-OAQYLSRUSA-N 449.942 5.500 30 20 IKED Cc1cc(N(CCC#N)C(=O)CN[C@H](C)c2ccc(-c3cccnc3)cc2)ccc1Cl 540431696 DUYGPYMHJZOZNZ-LJQANCHMSA-N 432.955 5.308 30 20 IKED N#CC1(CCCSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)CCOCC1 540812055 HHQMBMGOWTWILJ-UHFFFAOYSA-N 439.972 5.175 30 20 IKED C=CCn1c(SCC2CCN(C(=O)C(C)(C)C)CC2)nnc1-c1ccc(Cl)cc1 541410748 ZKYROEUDYUMTEI-UHFFFAOYSA-N 433.021 5.161 30 20 IKED FC(F)(F)c1cc([C@@H](NCc2nc(C3CC3)no2)C(F)(F)F)cc(C(F)(F)F)c1 542122384 BCKBCRUDOBAETM-GFCCVEGCSA-N 433.274 5.378 30 20 IKED FC(F)(F)c1cc([C@@H](NCc2noc(C3CC3)n2)C(F)(F)F)cc(C(F)(F)F)c1 543053332 XNRRZFKBEXKGEI-GFCCVEGCSA-N 433.274 5.378 30 20 IKED COCCOc1ccc(C#N)cc1NC(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1 543222246 QYIQDLCBSFKDPZ-QHCPKHFHSA-N 436.508 5.195 30 20 IKED Cc1nc(-c2cccc(-c3noc(CCC(=O)N(CCC#N)c4ccccc4)n3)c2)cs1 546395902 JZBIJQXPNSKVEC-UHFFFAOYSA-N 443.532 5.048 30 20 IKED COc1ccccc1-c1nnc(SCCCC2(C#N)CCOCC2)n1-c1ccc(C)cc1 554295609 NMKRLJDUZGXDBU-UHFFFAOYSA-N 448.592 5.444 30 20 IKED Cc1c(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)sc2ccc(C#N)cc12 556183871 FPABEBVONIYPSQ-UHFFFAOYSA-N 442.462 5.234 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N(CCC#N)c1ccc(F)cc1 558052360 VOPCWILQJBMYEI-UHFFFAOYSA-N 445.325 5.424 30 20 IKED N#Cc1ccc(N2CC[C@H](C(=O)Nc3ccccc3-c3nc4ccccc4s3)C2)c(F)c1 561029690 WVQWQYBAGFEOJP-KRWDZBQOSA-N 442.519 5.439 30 20 IKED C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 561403698 UOZYOGWTCMSPMM-MFKMUULPSA-N 438.347 5.225 30 20 IKED Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 565126616 SXZOPDUUXVATLL-UYAOXDASSA-N 437.609 5.431 30 20 IKED CCC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 572770789 HWJSBKLJORGUMT-UHFFFAOYSA-N 428.492 5.010 30 20 IKED CCO[C@H](c1noc(C2CCC(C(F)(F)F)CC2)n1)c1ccc(F)cc1C(F)(F)F 578400628 LGIDZZOAKTVRCJ-NWHVRFAMSA-N 440.359 6.190 30 20 IKED C[C@H](c1ccccc1)N1CCC(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 583113649 NSZQHCJJWYBARN-LJQANCHMSA-N 441.535 5.093 30 20 IKED N#CC1(c2ccc(C(=O)N[C@H](c3cccc(C(F)(F)F)c3)C3CCOCC3)cc2)CC1 586838173 BOAJYXDMEDYEQH-NRFANRHFSA-N 428.454 5.158 30 20 IKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCO[C@@H](c2cccc(F)c2)C1 589708859 PRGUSKGLJUCCGM-MRXNPFEDSA-N 436.327 5.469 30 20 IKED CC(C)c1ccccc1N(C(=O)[C@H](C)Oc1ccc(C#N)cc1)c1nc2ccccc2s1 600847114 HYCGTLWOEYWRKQ-SFHVURJKSA-N 441.556 6.424 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CN2C(=O)CSc3ccccc32)cc1Cl 603673358 IGUZTRHVNUOJOK-LJQANCHMSA-N 447.947 5.073 30 20 IKED N#Cc1cccnc1Oc1ccccc1NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 604007660 NQTNLAGVWNXSRE-UHFFFAOYSA-N 446.816 5.468 30 20 IKED C=CCN(C(=O)c1ccc(OC)nn1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 606159513 VAFZJBNJLXONOO-UHFFFAOYSA-N 428.517 5.109 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCO[C@@H](C)c1ccccc1 609078280 HZTMHAVGUZUZDR-NRFANRHFSA-N 443.547 5.735 30 20 IKED COc1ccc(/C=C(\CC(=O)O)c2nc3cc(Cl)ccc3s2)cc1OCCCC#N 609322719 JFZKUXZPARNVOW-XNTDXEJSSA-N 442.924 5.656 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1OC(C)C 609401854 BYNKSYKXFIBEEB-IRXDYDNUSA-N 427.570 5.617 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@H](CC(F)(F)F)c3ccccc3)cc2)c1 609433679 BSLPRGHYHUWVFC-OAQYLSRUSA-N 425.410 6.166 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 609434851 VAHZNWWKRHBSEZ-DLBZAZTESA-N 436.606 6.102 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)CC1 609509121 XQFAEYYBPAOONI-GNCHDMCWSA-N 426.516 5.185 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCC(Oc4ccc(F)cc4F)CC3)c2)c1 609642520 MYGDYFCXGAKDGO-UHFFFAOYSA-N 448.469 5.099 30 20 IKED Cc1nn(C)cc1[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 610730176 IDGUHNWUJSCERV-NRFANRHFSA-N 435.915 5.415 30 20 IKED N#Cc1cc(Cl)c(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c(Cl)c1 611093354 BMKDOMHLTSUYGU-UHFFFAOYSA-N 428.300 5.665 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613404263 KQTBMTVUQOHUPZ-INIZCTEOSA-N 440.450 5.608 30 20 IKED N#C[C@@]1(F)CCN(C(=O)Nc2ccc(-c3nc4cc(Br)ccc4s3)cc2)C1 615540518 VEODEXJGGSXVFA-IBGZPJMESA-N 445.317 5.195 30 20 IKED N#Cc1ccc(CNC(=O)c2ccccc2SCc2cn3ccccc3n2)cc1Cl 619780851 GFFULDBREOSWEO-UHFFFAOYSA-N 432.936 5.082 30 20 IKED C=CCn1c(SCCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccoc1C 644450414 RNNMEJUJSJYKFD-UHFFFAOYSA-N 437.352 5.460 30 20 IKED O=C(CCCn1ccnc1)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 679995314 PZBXBGBIHDSKNE-CQSZACIVSA-N 447.301 5.121 30 20 IKED C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC[C@@](C)(OC)CC1 685554055 ZYHFQFNCTJUDJF-AREMUKBSSA-N 432.568 5.106 30 20 IKED C[C@@H]1CN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C4)C3)CCC1(F)F 685888905 MLDFDVFYQZMMLT-JSZOFEHESA-N 447.410 5.612 30 20 IKED CCc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccccc2CC)cc1 726572085 QRUFGOFPPZFGAD-UHFFFAOYSA-O 448.999 5.947 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C/c1cccc(OC2CCCC2)c1 727953329 FNPMFTSDDRZSCO-RFAWQRTRSA-N 430.548 5.494 30 20 IKED CCN(C(=O)c1ccc(C=NOC)cc1)[C@@H]1CCSc2ccc(Br)cc21 728889502 BCWZGUGOJKOGFB-GOSISDBHSA-N 433.371 5.129 30 20 IKED CC(C)(C)OC(=O)NCCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 729037654 WVBIGOTXFAURQG-IBGZPJMESA-N 442.947 5.032 30 20 IKED Cc1nc(/C=C/c2cccc(OCC#N)c2)sc1C(=O)/C=C/c1cccc(OCC#N)c1 730149282 FJVAICYUDMFGLG-GFULKKFKSA-N 441.512 5.323 30 20 IKED Cc1ccccc1COc1cccc(CC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c1 730416497 DRCUVSQECYWCAW-NRFANRHFSA-N 430.504 5.742 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 730989693 NDFWASKURAVECE-XLIONFOSSA-N 439.581 5.013 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(C)[C@H](C)c2ccc(C(F)(F)F)cc2)ccc1OC 733655794 CEXSPOZLARJENA-BEFAXECRSA-N 449.473 5.298 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cc(N3CCCC3=O)ccc2F)c1 735004231 ZDBNQFHVQOSIIG-UHFFFAOYSA-N 449.869 5.522 30 20 IKED C[C@@H](SCc1cc(Cl)ccc1OCC#N)C(=O)Nc1ccccc1OC(F)F 735320533 WUFSBXQDFQAZAV-GFCCVEGCSA-N 426.872 5.104 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](Cc2ccccc2)c2sccc2C)c1 736659690 UWRGNUPMWFMDGU-JTHBVZDNSA-N 433.577 5.521 30 20 IKED O=C(/C=C/c1ccccc1OCc1cccnc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 741447949 RITSOLAJNUXLJO-DTQAZKPQSA-N 447.556 5.273 30 20 IKED CSc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1F 741847323 MRBICUNQBICMMB-TWGQIWQCSA-N 446.956 6.238 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 746168443 WSDFLOMLBIFRAM-YLJYHZDGSA-N 439.581 5.533 30 20 IKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1 747108170 DFDXSOICVINOMN-KRWDZBQOSA-N 438.842 5.241 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)n1 747193574 JXZNNWMAWCPVGA-SUMWQHHRSA-N 436.364 5.054 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(Sc2ccccc2C#N)cc1 749025034 AIRMUXCAANZIFU-HXUWFJFHSA-N 441.512 5.069 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)CCSc2ccnc3cc(Cl)ccc23)c1 751275614 MOTXOMJNMYSBPJ-SFHVURJKSA-N 439.968 5.368 30 20 IKED CC(=O)Nc1cccc(C(=O)/C=C/c2cnc(-c3ccc(Br)cc3)s2)c1 751526979 PTQURTKLWPYLBN-MDZDMXLPSA-N 427.323 5.427 30 20 IKED Sc1nnc([C@H]2CCCCO2)n1N=Cc1nc(-c2cc(Cl)ccc2Cl)cs1 755753692 IVYRTXCGKICARZ-CQSZACIVSA-N 440.381 5.121 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2C)c1 757001750 PUSNYSADQPGVIY-SFHVURJKSA-N 442.441 5.015 30 20 IKED CN(Cc1ccccc1)c1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1 758117554 FXYRDUKNVMFRAW-UHFFFAOYSA-N 435.531 5.352 30 20 IKED C[C@H](NC(=O)Nc1ccc(F)cc1OCC#N)c1ccc(OCc2ccc(F)cc2)cc1 761665237 PZZOSYMMYABTFI-INIZCTEOSA-N 437.446 5.329 30 20 IKED C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CCO[C@H](c2cccc(C#N)c2)C1 761758080 PXGJQCKMIVQCBR-YJYMSZOUSA-N 429.307 5.050 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)c3cccc(OCc4ccc(Cl)cc4)c3)CCO2)c1 762313181 SLVFOUWEQZEDCX-XMMPIXPASA-N 432.907 5.004 30 20 IKED CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 763548526 MFZVUUKFHAYIQR-PKTZIBPZSA-N 445.563 5.318 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)C3(c4c(Cl)cccc4Cl)CCC3)o2)cc1 773678039 ONUHBFPSTHNUQC-UHFFFAOYSA-N 428.275 5.080 30 20 IKED C=C(C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 777449441 YUGVFCZWJPXETK-SFHVURJKSA-N 447.482 5.242 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccc(F)cc3F)C2)cc1 779398178 WOFNMUWVEDRONL-VWNXMTODSA-N 433.458 5.226 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1c(Cl)cccc1Oc1ccc(F)c(Cl)c1 782570407 MCKQQKCDNXOXLR-CYBMUJFWSA-N 445.277 6.468 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1 783352688 CYSWSQFSGUGPOV-QFIPXVFZSA-N 442.471 5.041 30 20 IKED N#Cc1cccc([C@@H](NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)C(F)(F)F)c1 783672458 SDYZZOQXLWKWQN-QGZVFWFLSA-N 441.400 6.094 30 20 IKED CC(C)(C#N)CCCOC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1 784201098 RXQXIYXLFGQJQE-UHFFFAOYSA-N 444.944 5.146 30 20 IKED Cc1nc(-c2ccccc2)oc1C(=O)[C@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 787049259 KXMJDPIXHQVPJG-SJCJKPOMSA-N 442.302 5.157 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1 788349943 AHPIQTTXFFDNMC-PGRDOPGGSA-N 428.488 5.186 30 20 IKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2nccc(C)c2c1 792679393 YBVZUHOAGDFKAJ-KRWDZBQOSA-N 433.533 5.041 30 20 IKED COc1ccc(CCC(C)=NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)cc1O 794980908 HTGFZOFQQUYLBQ-UHFFFAOYSA-N 430.430 5.297 30 20 IKED C#C[C@H](NC(=O)c1ccccc1SCc1csc(C)n1)c1ccc(Cl)cc1F 804413906 CUGSQPIDDUAMFB-IBGZPJMESA-N 430.957 5.641 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2cccs2)C2Cc3ccccc3C2)c1 806809025 SWMYEJFCFOAWBK-QHCPKHFHSA-N 445.588 5.308 30 20 IKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)sc2ccc(Br)cc12 815907529 CJWANYYJGFKAJR-CYBMUJFWSA-N 447.741 5.587 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)OC(=O)c1cnc(C(F)(F)F)c(C#N)c1 815957392 DDEQJNGYYVBKPM-NSHDSACASA-N 435.402 5.461 30 20 IKED Cc1cc(C#N)cnc1C(=O)O[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C 815957537 IAPUPEWUFJLRIT-CYBMUJFWSA-N 442.338 5.374 30 20 IKED O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(N2CCOCC2)cc1 916138498 SJYVYJMKNRITLX-RMKNXTFCSA-N 438.867 5.241 30 20 IKED Cc1c(-c2ccccc2)oc2c(C(=O)[C@H](C#N)c3ccc4ccccc4n3)cccc2c1=O 916849121 SCPKUVBQPZCLTJ-JOCHJYFZSA-N 430.463 5.807 30 20 IKED Cn1c2ccccc2c2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)sc21 916928427 KTWZUYSKOMXCOG-CQSZACIVSA-N 442.327 5.661 30 20 IKED Cc1nc(-c2ccccc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 916944699 LDBFAJQHODUEMR-MRXNPFEDSA-N 430.316 5.387 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4cccc(C)c4)n3)n2)cc1 916974360 IZEFRLNSDWPQNR-FQEVSTJZSA-N 429.570 5.969 30 20 IKED N#C[C@H](C(=O)CSc1ccc2ccccc2c1)c1nc2cc(C(F)(F)F)ccc2s1 917042968 JPDCYNITHVAYBR-QGZVFWFLSA-N 442.487 6.437 30 20 IKED O=C1/C(=C/c2cnc(-c3ccccc3)nc2)CSC/C1=C\c1cnc(-c2ccccc2)nc1 917142826 RDULDFRDGBJJOW-ASIDMNOUSA-N 448.551 5.384 30 20 IKED Cc1sc2ncn(N=Cc3cccc(OC4CCCC4)c3)c(=O)c2c1-c1ccccc1 917537922 CWYXFGAYPPFCNW-UHFFFAOYSA-N 429.545 5.637 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)cc1 919867594 BVMFXWKLESTGSX-OAQYLSRUSA-N 441.575 5.781 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3ccccc3OC(F)(F)F)n2)cc1 920143557 XUBNYFHEBQCKOC-IBSYWUHOSA-N 439.418 5.470 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2cccc([N+](=O)[O-])c2)cs1 920361843 ZYMHPAHVRYUQGD-UHFFFAOYSA-N 449.414 5.201 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OCC5CC5)c(F)c4)CCC3)cc2)C1 1785809214 ZDFWGKPZOHGDRN-UHFFFAOYSA-N 448.538 5.328 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCc3cc(F)ccn3)cc2)CCC1 1786822019 OPXDJXNWKLEVHJ-UHFFFAOYSA-N 437.559 5.280 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(cnn4C)c3)CCC2)cc1 1789454105 QBGMNOIMNUGAIW-QHCPKHFHSA-N 442.563 5.089 30 20 IKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4sccc4Cl)cc3)CCC2)cc1 1789903339 WARYTKLHTNFOIO-UHFFFAOYSA-N 449.963 5.529 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCC(F)(F)F)CCC3)cc2)c(Cl)c1 1790767287 UZWYKHGRTFCECD-UHFFFAOYSA-N 449.860 5.302 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccccc4N4CCCCC4)cc3)CCC2)C1 1790783607 DHOWIKBJDYJMQC-UHFFFAOYSA-N 443.591 5.391 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CCC2)cc1 1791584444 CQGVOUIXCDGPSR-UAPYVXQJSA-N 434.502 5.293 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(F)cc(Cl)cc1Cl 1800576874 INZHKYWCQXIJKQ-YYIAUSFCSA-N 439.358 5.153 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2csc(C)c2C)[C@@H]1c1cccnc1 1806045560 AQOHLPOAIKPVIW-UNMCSNQZSA-N 439.625 5.072 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)n[nH]1 1814372532 AOTXLBWKPFKQMD-VLIAUNLRSA-N 439.947 5.063 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3sccc3[nH]2)n[nH]1 1819190288 DZHBFTSGVLPZMO-GOSISDBHSA-N 439.585 5.251 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ccccc23)[nH]n1 1819306072 WDCGCQFJXKQLIB-YKSBVNFPSA-N 442.563 5.637 30 20 IKED CC(C)=CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1820802243 LFEMMNRKKZNCHO-OAQYLSRUSA-N 442.680 5.199 30 20 IKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2C)[nH]n1 1822392803 DUNDVIYZHXCCGJ-LJQANCHMSA-N 447.366 5.134 30 20 IKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(Cc3ccc(F)cc3)c2)[nH]n1 1822401372 MMPZAEDODMBJRI-QHCPKHFHSA-N 446.526 5.022 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)s2)CC1 1824140686 CYXYYLYAWGKLHG-IBGZPJMESA-N 435.033 5.403 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3csc(-c4ccccc4)n3)CC2)C1 1827923132 ZCROCICUXGYQSE-QHCPKHFHSA-N 449.620 5.010 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccccc3n2C)CC1 1828828217 FQHVMDACHDDJIA-ILBGXUMGSA-N 447.623 5.180 30 20 IKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2occc2C)CC1)c1ccccc1 1829032883 OPIZUMUDOGFJKZ-RPBOFIJWSA-N 446.591 5.019 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3cccnc3)cc2)CC1 1831374393 PLTCSKXWSCQBDD-LVXARBLLSA-N 445.607 5.194 30 20 IKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(Cl)c2)CC1)C(F)(F)F 1831454671 FQWFUQMIPGIPOH-IBGZPJMESA-N 442.909 5.000 30 20 IKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1 1831850210 URWXUWBSRKKFOE-KVZCNWPJSA-N 426.645 5.016 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2cccc(Cl)c2)cc1 10830809 PDRLGVJUXJHXRM-UHFFFAOYSA-O 426.993 5.196 30 20 IKED Cc1cc(C(=O)/C(=C(\S)Nc2ccc(F)cc2F)[n+]2ccc(N(C)C)cc2)c(C)s1 11250057 QHFXSHUEEGUANN-UHFFFAOYSA-O 446.568 5.048 30 20 IKED C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(OCc4ccccc4)cc3)ccc2c1=O 17305185 UMPMUKJMFPVPKM-UHFFFAOYSA-N 443.528 5.076 30 20 IKED C=CCn1c(SCc2coc(-c3ccc(Cl)cc3)n2)nnc1-c1ccccc1OC 32389533 VCLFQHVXOCLCNR-UHFFFAOYSA-N 438.940 5.740 30 20 IKED CCOc1cccc([C@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 63392793 HXIHSDADHLOPMG-IBGZPJMESA-N 429.520 5.613 30 20 IKED Cc1sc(-c2ccco2)nc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 64715156 KWYXTNUYFAXZSA-LLVKDONJSA-N 427.457 5.603 30 20 IKED CC(C)(C)c1ccc(-c2nnc(Sc3ccc(C#N)nn3)n2Cc2ccccc2)cc1 301937482 RXOGGYUYFZZPRS-UHFFFAOYSA-N 426.549 5.104 30 20 IKED COc1ccc(C)cc1NC(=O)[C@H](Sc1nc2c(cc1C#N)CCCC2)c1ccccc1 302987049 VINGISAKLBKPCS-XMMPIXPASA-N 443.572 5.621 30 20 IKED CSc1ccc([C@H](CNC(=O)C2(C#N)CCCCC2)N2CCc3sccc3C2)cc1 303056277 WGXYPDQGBCRAJC-NRFANRHFSA-N 439.650 5.160 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1 303271440 HKQJIDVFKJNJKV-QGZVFWFLSA-N 448.519 5.326 30 20 IKED Cc1ccc(C)c(OC2CCN(CC(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)c1 303400390 QSRXURRKYSGUOG-LJQANCHMSA-N 437.609 5.037 30 20 IKED CCC(CC)[C@@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1cccs1 409538478 YGNSSZUMANHQHC-JOCHJYFZSA-N 438.597 5.157 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C[C@@H](c2ccccc2)O1 409772168 MKSHHLFNQCMPIG-MQVPCNEGSA-N 445.950 5.989 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NCCc3cccc(C(F)(F)F)n3)c2)cc1 432804852 KRFWWESLXANFDK-UHFFFAOYSA-N 426.398 5.129 30 20 IKED C[C@@]12CCN(C(=O)Nc3ccc(OCC(F)(F)F)c(C(F)(F)F)c3)C[C@@H]1C2(F)F 432947707 DRUMGRUIVGCVGR-GXTWGEPZSA-N 432.311 5.156 30 20 IKED N#C[C@@H](NC(=O)c1ccc(Br)c(Cl)c1F)c1cccc(C(F)(F)F)c1 436027348 MDFODUQKLBFEMC-GFCCVEGCSA-N 435.602 5.255 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)cc1 436074198 JIWBCETVQFPMBX-UHFFFAOYSA-N 430.382 5.013 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2occc2COc2ccccc2)cc1F 437469366 QXRRNWYHBQMROB-UHFFFAOYSA-N 428.419 5.914 30 20 IKED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](c1cccc(SC)c1)c1ccc(F)c(F)c1 438013520 OZUVEMFFOVAQRW-YHYVQYDKSA-N 432.536 5.057 30 20 IKED CC[C@@](C)(NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1nc(C)cs1 438185721 DUFVDRRBEILEPD-HSZRJFAPSA-N 436.537 5.571 30 20 IKED Cc1ccnc(Oc2ccc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)cc2)n1 440806762 MKXTZYJBCOXZGY-UHFFFAOYSA-N 436.471 5.280 30 20 IKED CN(CCCCCc1cc(-c2ccccc2)no1)Cc1nnc(-c2cccc(C#N)c2)o1 441533390 HTFFPUGIXZEELM-UHFFFAOYSA-N 427.508 5.108 30 20 IKED Cc1cc(NC(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)ccc1C1CC1 441759517 MFVRIIBTHYGKGI-UHFFFAOYSA-N 439.515 5.095 30 20 IKED N#CCCCn1cc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c2ccccc21 443898538 IJBJQEVALDTKJC-UHFFFAOYSA-N 428.517 5.511 30 20 IKED CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2cn(CCCC#N)c3ccccc23)s1 444173265 CJQOWXCDCZEAFO-SFHVURJKSA-N 429.549 5.591 30 20 IKED CN(Cc1nc(C(F)(F)F)cs1)C(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F 446368696 ISBCVVVHVUPZHJ-GFCCVEGCSA-N 449.779 5.399 30 20 IKED C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H]1c1ccc(COC)o1 460544924 MWPWAWLEYZVLBR-JOCHJYFZSA-N 431.540 5.094 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N(C)[C@@H](C)c1cnn(C)c1 460564357 MFCDSPHLGBCKJY-RBUKOAKNSA-N 430.556 5.078 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(N2CCNC2=O)ccc1Cl 460952142 ASLMGTIGHWMBSX-UHFFFAOYSA-N 446.894 5.094 30 20 IKED Cc1ccc([C@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)s1 461822986 BBBJKCGDZSJFPW-LEWJYISDSA-N 433.581 5.097 30 20 IKED N#Cc1ccc(CN(C(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)C2CC2)cc1 468453053 WODRVOXPMUWJMY-NRFANRHFSA-N 442.588 5.161 30 20 IKED N#Cc1cccc(-c2cc(C(=O)N3CCC(c4ccc(C(F)(F)F)cc4)CC3)on2)c1 468786088 BDOXIDZNGGIJLH-UHFFFAOYSA-N 425.410 5.252 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](c1cccc(Cl)c1)C1CCCCC1 472378561 AQTPSJXZSVTOHA-XMMPIXPASA-N 426.992 5.437 30 20 IKED COC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc(C)o1 472742682 ZYHSWTIVQUDVCU-FQEVSTJZSA-N 439.899 5.201 30 20 IKED Cc1csc(Sc2ccc(NC(=O)N(CCC#N)Cc3ccccn3)cc2Cl)n1 473785220 BCDCKKGKHLDVCW-UHFFFAOYSA-N 443.985 5.599 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1c1ccc(Br)s1 475557427 BHJRNXRVKTYWNQ-QGZVFWFLSA-N 433.415 6.732 30 20 IKED COc1cc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c(OC)c(C)c1OC 478605158 ZWHJGNSPNFBDDD-UHFFFAOYSA-N 436.439 5.076 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 480591106 HHMRQYYFCOGEBQ-JKSUJKDBSA-N 448.514 5.500 30 20 IKED CC(C)(NC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F)c1nc(C(F)(F)F)cs1 482403695 LDPMGGPETSPJEA-LLVKDONJSA-N 447.351 5.278 30 20 IKED Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)[C@H](C#N)c1nccc2ccccc12 483201649 XKQXRVJMRKCLKU-HXUWFJFHSA-N 445.320 5.290 30 20 IKED N#C[C@H](C(=O)c1ccccc1CSc1nc2ccccc2o1)c1cnc2ccccc2n1 483219199 SBLRGPPOKJQRJI-SFHVURJKSA-N 436.496 5.553 30 20 IKED Cc1nc2ccc(Br)cn2c1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 483495304 YEGVHVFHGBQQSD-GFCCVEGCSA-N 445.729 5.158 30 20 IKED Cc1c([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)oc2ccccc12 484564487 AKSRCRLXQGCDNY-KRWDZBQOSA-N 439.471 5.221 30 20 IKED CCn1c([C@H]2CCCN2C(=O)Nc2ccc(C#N)c(Br)c2)nc2ccccc21 487845554 WYLWNVHXUJMLMG-LJQANCHMSA-N 438.329 5.059 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccc(C)cc2)n1CC 488901116 RTPWAIKNVMADNQ-KRWDZBQOSA-N 426.611 5.030 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](c2cccs2)C(C)(C)C)nnc1-c1cccs1 489412271 XDEQYXVGCOETAM-KRWDZBQOSA-N 432.640 5.250 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)c1 490832723 ZESLFHYTLAZKPO-FQEVSTJZSA-N 428.410 5.196 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(CC)CC1CCN(c2ccccn2)CC1 491084012 IUXRPLYVDRXQLF-UHFFFAOYSA-N 447.501 5.044 30 20 IKED Cc1ccccc1CN(Cc1cccnc1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 503234898 RIXDXVHVPDHWBD-UHFFFAOYSA-N 432.527 5.419 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12)c1ccccn1 505298775 DDGGJGQAPVALRJ-IBGZPJMESA-N 428.289 5.549 30 20 IKED CCCN(Cc1ccc(C#N)cc1)Cc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1 508608100 GBZLUDYOKGHXHO-UHFFFAOYSA-N 438.984 5.765 30 20 IKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nc(-c2ccccc2)ccc1C#N 510193615 YZFUZAITPLFKGH-GOSISDBHSA-N 442.544 5.056 30 20 IKED Cc1c(Br)cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1[N+](=O)[O-] 510514889 OKPJIMGXUVABKC-NSHDSACASA-N 434.315 5.312 30 20 IKED Cc1ccc([C@@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C2CC2)cc1 511379341 BMCNGBFIBVAXMC-AREMUKBSSA-N 425.532 5.913 30 20 IKED Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)c12 512958903 QFHUSNRBDIULCK-GOSISDBHSA-N 437.484 5.207 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 513095599 KUMJYSCIBQVGLP-ZDUSSCGKSA-N 431.393 5.127 30 20 IKED C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 514742278 FFOOIQODGSUYER-UHFFFAOYSA-N 432.412 5.075 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 515775616 XOVNGRONJZYNKV-XMMPIXPASA-N 445.950 6.224 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)n1 516350586 KLLDXQRUJMNZFK-CQSZACIVSA-N 449.513 5.193 30 20 IKED C[C@H](c1c(F)cccc1F)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 516366771 RIUQMLIJTFZWKK-QGZVFWFLSA-N 435.474 5.835 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)n2)cc1 516714215 VKAXLLAACRXFDR-INIZCTEOSA-N 435.486 5.432 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3csc(-c4ccc(Cl)s4)n3)CC2)c1 517858041 YODRKZPXXOTIJL-UHFFFAOYSA-N 429.954 5.080 30 20 IKED COc1ccc(CN(Cc2ccccc2)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 520855634 VLQGHDVFZLBJRR-HXUWFJFHSA-N 445.588 6.181 30 20 IKED C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 521090993 CAYYALRCTPOWSU-SFHVURJKSA-N 440.503 5.012 30 20 IKED N#CCc1cccc(C(=O)NCCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1 521393642 VPNQPVLXWPCDKV-UHFFFAOYSA-N 440.934 5.231 30 20 IKED Cc1ccc(SCC(F)(F)F)c(NCC(=O)Nc2ccccc2SCC#N)c1 522980550 NFSRKPBEJQZRRP-UHFFFAOYSA-N 425.501 5.316 30 20 IKED C=C[C@@H](CC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1)c1ccccc1 533886598 VCWDKENXZBFPAM-HFJWLAOPSA-N 433.573 5.599 30 20 IKED C=C[C@H](CC(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1)c1ccccc1 534697679 SRZIBXUEQYHWIF-HXUWFJFHSA-N 438.527 6.003 30 20 IKED O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1ncccc1C(F)(F)F 536111316 DGAVZNWVLVRHLV-UHFFFAOYSA-N 445.294 5.698 30 20 IKED COc1ccc(Cc2nc(C)c([C@H](C)N[C@@H](CCC#N)c3ccccc3)s2)cc1OC 536837804 HQXXFQOLAUPJTP-UWJYYQICSA-N 435.593 5.755 30 20 IKED COc1ccccc1Nc1ncccc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 537267080 QYJSLNUVKKMZIL-HNNXBMFYSA-N 433.418 5.069 30 20 IKED CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1ccc(C2(C#N)CC2)cc1 540694388 XUJQEQQTBGYDQE-UHFFFAOYSA-N 438.556 5.428 30 20 IKED Cc1cccc2sc(N(Cc3ccccc3)C(=O)CN(C)Cc3ccc(C#N)cc3)nc12 549558366 COKQMCNZDPGKNT-UHFFFAOYSA-N 440.572 5.142 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@@H]1OCCc2sccc21 554205388 RAYFJPAVYWEDMC-MWTRTKDXSA-N 434.586 5.344 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccncc1OCc1ccccc1 554446223 HVQUMHSCCGYCFW-GOSISDBHSA-N 432.549 5.377 30 20 IKED C[C@H](N[C@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C)c1ccc(C#N)cc1Cl 555232767 MBWYLNXAXIYGJR-JWYJFAMSSA-N 428.407 6.130 30 20 IKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@](C)(C#N)C1CCCCC1 570191967 COLUSANSAJKUHC-OYHNWAKOSA-N 431.989 5.595 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)CC1 581143505 QDMDKKSVTZEDRB-QHCPKHFHSA-N 449.913 5.078 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 582629503 NPCIQHOJFMBRFL-BPQIPLTHSA-N 441.557 5.074 30 20 IKED CCN(CC)c1nc2sc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)cc2s1 592975486 GVZHYLCEXMNMOT-LLVKDONJSA-N 430.555 5.443 30 20 IKED Cn1c([C@@H](C#N)C(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)nc2ccccc21 595127180 CVYUBRAIQOCECK-INIZCTEOSA-N 431.927 5.335 30 20 IKED COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C(C)(C)C#N)cc2)c(OC)c1 602760548 OWGVNYBYVNXWIK-XMMPIXPASA-N 427.504 5.276 30 20 IKED Cc1ccccc1[C@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)NC(N)=O 603758925 PBONTFFUJOKMET-GGAORHGYSA-N 446.938 5.042 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(-c4cnccn4)n3)cc2Cl)cc1 608940806 FXPVWTZXFIVCKE-UHFFFAOYSA-N 447.907 5.099 30 20 IKED Cc1nc(SCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(C#N)c(C)c1C 609064692 DPJDFJAAQHZDAT-UHFFFAOYSA-N 442.544 5.060 30 20 IKED Cc1ccc(Nc2cccc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c2)nn1 609874048 GZXDWAYBZAMZCV-UHFFFAOYSA-N 436.475 5.148 30 20 IKED Cc1[nH]nc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1-c1cccc(Cl)c1 610354669 ZHAHATTWUJLZIW-UHFFFAOYSA-N 432.867 5.335 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C)n(Cc4ccccn4)c3C)n2)cc1 613314663 SCDWGSRHQOMYBO-QFIPXVFZSA-N 426.545 5.470 30 20 IKED C[C@H](NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1OC(F)F 618552099 CAGVMFCTKQJULE-HBNTYKKESA-N 434.327 5.121 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@@H](C)c2ccc(C(=O)C(C)C)cc2)c1C#N 669962281 PMGBGPFCTJONMA-INIZCTEOSA-N 432.549 5.047 30 20 IKED O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 674033961 KGXFIJAVGRWNST-NNYUYHANSA-N 428.339 5.127 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC2(CCOCC2)CC1 685551724 GWVMKSJWGVPEMR-HXUWFJFHSA-N 432.568 5.154 30 20 IKED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 727592351 JMSPLVAQHYGKFN-UHFFFAOYSA-N 434.584 5.111 30 20 IKED CC(C)(CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1Cl 728146672 KOXYROCOHTXQFP-NRFANRHFSA-N 445.950 5.028 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)Nc1cc(Cl)ccc1F 728298429 UNLPTVYOKJSWFQ-CQSZACIVSA-N 441.865 5.508 30 20 IKED COC(=O)c1ccc(/C=C2/CCc3nc(-c4ccc(Br)cc4)sc3C2=O)o1 728439336 ZXMZPEDVBRFJGY-BENRWUELSA-N 444.306 5.165 30 20 IKED COc1ccc(N(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)Cc2cccs2)cc1 728927900 HKZXMGBCKUHDEC-LJQANCHMSA-N 433.558 5.249 30 20 IKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 729655270 KJKUFJUFBLFPLE-CYBMUJFWSA-N 449.429 5.330 30 20 IKED CC(C)n1ncc2cc(/C=C/C(=O)c3c[nH]c4cc(Br)ccc34)c(Cl)nc21 729937564 WGFQOUMNTHAFMT-ZZXKWVIFSA-N 443.732 5.806 30 20 IKED CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)ccc1F 730473679 HDPKEEASXBQOKG-UHFFFAOYSA-N 448.454 5.484 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2ccccc2OCc2cccs2)cc1 730615298 XWXNHYNDOOCZIO-IBGZPJMESA-N 448.544 5.128 30 20 IKED N#C[C@H](C(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1nc2cc(F)ccc2s1 730695356 HSWFJCBCAPUQTR-ZHRRBRCNSA-N 438.430 5.710 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccoc2COc2ccc(C=O)cc2)cc1 731616261 ILUURUUSMMAXNJ-UHFFFAOYSA-N 438.439 5.587 30 20 IKED C=CCn1c(-c2cccc(C)c2)nn(CN(C)[C@H]2CCCc3nc(C)sc32)c1=S 732190174 YDGZGAQRRMQXSP-IBGZPJMESA-N 425.627 5.307 30 20 IKED Cc1ccc2[nH]c3c(c2c1)CN(C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)CC3 740058815 CITNBUVCYWWBIX-UHFFFAOYSA-N 426.545 5.344 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)/C(=C\c3ccc(F)cc3)c3cccs3)o2)cc1 741831901 NBSKCWVBGHNBHN-UNOMPAQXSA-N 431.448 5.093 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 741924232 DTEPDVPAAKXXLA-AWEZNQCLSA-N 426.463 6.275 30 20 IKED N#Cc1cc(NCc2cn(Cc3ccccc3)c3ccccc23)ccc1N1CCC(O)CC1 742385988 UBUWNFXDDZHWCD-UHFFFAOYSA-N 436.559 5.134 30 20 IKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 742961025 JQWBSLPWCLAGMV-QHCPKHFHSA-N 441.462 5.392 30 20 IKED C#CCCN1CCC(NC(=O)c2oc3ccccc3c2CSCc2ccccc2)CC1 743491013 BAGXHVFFXBRVKQ-UHFFFAOYSA-N 432.589 5.084 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)C[C@H](Cc2ccccc2)c2ccccc2)cc1Cl 744032629 MPMMTJOYLVWDAP-RBBKRZOGSA-N 446.934 5.413 30 20 IKED CC(C)c1ccc(N2CC[C@@H](C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)C2=O)cc1 744034841 DOHPKVCAUMTJFY-ROUUACIJSA-N 437.952 5.302 30 20 IKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC(c3ccc(OC)cc3)CC2)c1=S 744435251 BGYSVVTXHTZEFW-UHFFFAOYSA-N 438.572 5.252 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)n1 747195878 AXBBHPWVGIWVPL-NCJCTJFTSA-N 441.984 5.191 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2csc(-c3ccccn3)n2)cc1 749125600 WIJNKUAVWMREOI-UHFFFAOYSA-N 428.492 5.058 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC1([C@@H](O)c2ccccc2)CC1 752209681 JCCATKMGVZSGQH-DEOSSOPVSA-N 427.504 5.294 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 752614135 CSSXSBVRRJARIW-WBVHZDCISA-N 433.499 6.121 30 20 IKED CN(Cc1cccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1)C(=O)OC(C)(C)C 752691724 IVCDSCPRVWUMSV-DHIUTWEWSA-N 448.567 5.357 30 20 IKED C[C@@H](CC(=O)OCc1ccccc1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 753756838 SLYZGHYYAIBFEK-IBGZPJMESA-N 444.556 5.102 30 20 IKED N#C[C@H](C(=O)CN1CCC[C@H]1c1ccccc1Br)c1nc2ccccc2s1 755997355 HFWZBEUJOBUKLW-QAPCUYQASA-N 440.366 5.072 30 20 IKED C#CC[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1)c1ccccc1 757263326 RGVLRQWOYROYRB-NTKDMRAZSA-N 428.557 5.359 30 20 IKED CC[C@@H]1CN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC[C@@H]1NC(=O)OC(C)(C)C 757880589 HDSKRPNATNKQLS-KSZLIROESA-N 446.617 5.238 30 20 IKED COc1ccc2c(c1)OC[C@H]2CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 760968018 GZIFPVDEBNPUFN-IAQYHMDHSA-N 432.423 5.066 30 20 IKED O=C1O[C@@H](CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CC12CC2 763752274 ITTHUMNGIMCLCS-NEPJUHHUSA-N 435.286 5.013 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@H]2CCCc2ccccc2)ccc1OC 769108333 HQWFTYNJPHSFNE-XZOQPEGZSA-N 435.568 5.073 30 20 IKED CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](N[C@H](CCC#N)c3ccccc3)c3ccccc3O2)C1 773086335 ILFGGGUYDOREBJ-KHVXQDHOSA-N 447.579 5.524 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cccn1[C@@H](C)Cc1ccccc1 773769784 LBFDXCXIZOLQOA-PKOBYXMFSA-N 449.938 5.223 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN(CCC)[C@H]2CCCc3cccnc32)c1=S 774614684 VUZZFEYJFZULAK-NRFANRHFSA-N 434.613 5.194 30 20 IKED Cn1cc([C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2ccc(F)cc2)cn1 775489667 WYBSMLYALSTIFX-LOSJGSFVSA-N 439.494 5.126 30 20 IKED COc1ccc([C@@H](N[C@@H](C)c2ccc(OCC#N)cc2)c2ccccc2Cl)c(OC)c1 776162354 FUBZSOYRYNKTSM-GKVSMKOHSA-N 436.939 5.700 30 20 IKED COc1cc(F)c(C(=O)/C=C/c2cccc(Br)c2OC(F)F)cc1OC 776727928 OXQKCTXCHFKPGT-VOTSOKGWSA-N 431.204 5.103 30 20 IKED C[C@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 777177750 QYCYKXWQUWUWLR-NSHDSACASA-N 437.710 5.386 30 20 IKED Cc1nc(COC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)oc1-c1ccc(Cl)cc1 780197956 FIFSTCGZWFEKKC-UHFFFAOYSA-N 432.867 5.026 30 20 IKED C=CCCN(Cc1csc(N(C(C)=O)c2ccccc2F)n1)OCc1ccccc1 782665207 RJYCRGOIPJJTSJ-UHFFFAOYSA-N 425.529 5.477 30 20 IKED C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2cccc(C#N)c2)cc1 782778258 PIEGVIJIXZMTSM-WOJBJXKFSA-N 429.539 5.613 30 20 IKED C[C@@H](NC(=O)c1ccc(S[C@H]2CCOC2=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 782829192 PKDDMNGCEJXIOY-OSPHWJPCSA-N 442.540 5.124 30 20 IKED Cc1cc(Br)cc2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)oc12 783077541 TVHPYSMKROIJEQ-CYBMUJFWSA-N 431.673 5.118 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(CCC(F)(F)F)Cc2ccccc2)cc1 792228614 MTEACYXDDMFVAX-HSZRJFAPSA-N 437.465 6.329 30 20 IKED O=C(/C=C/c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1cc(Br)ncc1F 794711452 LNXOOOOJTJIOMN-LZCJLJQNSA-N 440.194 5.084 30 20 IKED COC(=O)[C@H](NC1(c2nc(-c3ccccc3F)c(C)s2)CCC1)c1ccc(C#N)cc1 815303249 ZZGGJMAAKJKWJE-OAQYLSRUSA-N 435.524 5.012 30 20 IKED CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2cccc(C#N)c2)NC(=O)N1Cc1ccccc1 839391878 RHBHUTNFMGJZIC-RUZDIDTESA-N 436.515 5.046 30 20 IKED C[C@H](Nc1ccc([C@H](O)C(F)(F)F)cc1)c1ccc(OC(F)F)cc1OC(F)F 864024075 XSPKTCITZUSOHA-VFZGTOFNSA-N 427.316 5.658 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 915086483 KCQXGKHEOXTIQF-QFIPXVFZSA-N 442.906 5.617 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1OC(C)C 915352260 GPZSSIIAJLSBOV-CYFREDJKSA-N 443.547 6.021 30 20 IKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2nccc3sccc23)cs1 915978910 HTJORYFLZAAUBJ-UHFFFAOYSA-N 427.942 5.537 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCc1ccc(-c2ccccc2)o1 916901926 SLGGDEJTEGLVEN-SFHVURJKSA-N 436.895 5.197 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(SCc2ccccc2)cc1 916919472 YIXHMAZSASCGSK-XMMPIXPASA-N 436.536 6.093 30 20 IKED CCc1nc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc([C@H](C)CC)cc3)cc2nc1CC 916947575 NFYIJDMCWOBJCT-UZLBHIALSA-N 428.536 5.229 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCCCc2nc3ccccc3s2)cc1 916955287 NZJUGZRMVQVCRL-FXAWDEMLSA-N 433.577 5.870 30 20 IKED Cc1onc(-c2ccc(F)cc2)c1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042882 HNMBUQRJLRDAHR-CQSZACIVSA-N 445.397 5.908 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)cc1 919773437 JZZADWNARVWHJC-IZZNHLLZSA-N 425.532 5.555 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CSc3cccc(C(F)(F)F)c3)n2)cc1 920140146 CFGWIYYTQDCRSO-QGZVFWFLSA-N 443.475 5.669 30 20 IKED COc1ccc2c(c1)CCC[C@H]2CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806102 UTWGAISRBLLZSV-MAUKXSAKSA-N 438.499 5.783 30 20 IKED FC(F)(F)COc1ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1 921255590 VVAHIZMEIDSMML-UHFFFAOYSA-N 447.269 5.364 30 20 IKED Cc1ccc(Cc2sc(NC(=O)CN(Cc3ccc(C#N)cc3)C(C)C)nc2C)cc1 1473131025 MEFAPKPFICUPKM-UHFFFAOYSA-N 432.593 5.072 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(OC)cc3)cc2)CCC1 1786329844 ASARIIBJLXJCIQ-GLYQVZKVSA-N 432.564 5.145 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](CC)c2ccccc2)[C@H]1c1cccnc1 1810495757 WEXMMYCOZCOOSD-GVAUOCQISA-N 447.623 5.274 30 20 IKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(ccc4ncccc43)s2)n[nH]1 1820095374 CKMFQHMMRFMAFV-LJQANCHMSA-N 445.548 5.055 30 20 IKED Cc1c(Cl)cccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1 1823916587 YADGHIMPPPXRJH-XMMPIXPASA-N 449.982 5.067 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sccc2OCC)CC1 1824137851 PTVNBSCMJXBOOX-OAQYLSRUSA-N 444.641 5.149 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)ccc2F)CC1 1824143065 FKJGWGJBZAUIPN-DEOSSOPVSA-N 426.576 5.136 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCC(F)(F)CC2)CC1 1824329036 BSUAUTIWSMWVLM-FCHUYYIVSA-N 436.587 5.200 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)CC1 1828044380 NKQXEPHOZQFRPO-DEOSSOPVSA-N 435.612 5.394 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)cc2F)CC1 1828822772 ANROASJEBSXCGU-NFBKMPQASA-N 446.994 5.481 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2OCC)CC1 1828827164 IYXAFOFNCNGKDS-LADGPHEKSA-N 438.612 5.087 30 20 IKED C=CCn1c(SCc2nc(-c3ccccc3)no2)nnc1-c1ccc(Cl)cc1Cl 9826320 DIODOGYFCLZFRA-UHFFFAOYSA-N 444.347 5.780 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cccc(CC)c2)cc1 10174549 FHYCUXXMPUFKPJ-UHFFFAOYSA-O 425.524 5.428 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccccc1)=C(/S)Nc1cc(Cl)cc(Cl)c1 10179074 HAHBIDZUECWMHW-UHFFFAOYSA-O 430.380 5.894 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1cccc(Cl)c1 10830427 JFEMMHWUMOLWEV-UHFFFAOYSA-O 436.409 5.956 30 20 IKED COc1ccc(Br)cc1-c1nc(COc2ccc(C#N)cc2Cl)cs1 18963634 GEXRVWDGKYRSLD-UHFFFAOYSA-N 435.730 5.685 30 20 IKED Cn1c(SCc2ccc(-c3ccccc3C#N)cc2)nnc1[C@@H]1COc2ccccc2O1 22415572 SBJXXQOTZFJCMF-QHCPKHFHSA-N 440.528 5.159 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(OCC)cc2)=C(/S)Nc2ccccc2C)cc1 22695815 MAJZPYDORBQBBA-UHFFFAOYSA-O 433.597 5.685 30 20 IKED O/C(=N\c1nc(CN2CCOCC2)cs1)[C@H](Sc1ccccc1)c1ccccc1 22701691 KRBXXBAJZWRNSU-HXUWFJFHSA-N 425.579 5.097 30 20 IKED CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)CCc2ccc(C#N)cc2)cc1 24647586 CZYRWMNVUWDZEH-UHFFFAOYSA-N 425.532 5.679 30 20 IKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cc(Cl)ccc1Cl 33145502 QGASCUCWALDGOK-UHFFFAOYSA-N 444.112 5.044 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(F)cc2Cl)nnc1-c1ccc(Cl)cc1 36627092 MIKXITWPEFABQS-UHFFFAOYSA-N 437.327 5.308 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1OC 65141898 HNCJPVLGALBVIZ-UHFFFAOYSA-N 436.895 5.418 30 20 IKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cnn1-c1ccccn1 107876349 QABNEPBWUJIGRJ-FQEVSTJZSA-N 427.895 5.137 30 20 IKED Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2cccc(OCC#N)c2)cc1 107966188 FQVAFXHZUYEUMM-UHFFFAOYSA-N 426.451 5.142 30 20 IKED C[C@@H](CCc1ccccc1)NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 301218604 QYVNUGAFOJTORS-IBGZPJMESA-N 443.572 5.040 30 20 IKED Cc1cc(C)cc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 410422280 XSTPSCHRBIGXFG-WZONZLPQSA-N 445.950 5.428 30 20 IKED O=C(O)[C@@H](Cc1c(F)cccc1Cl)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 426748507 YCDUCARKIQPYAP-OAHLLOKOSA-N 443.746 5.302 30 20 IKED COc1cc(C)cc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1C 427872914 KFDFEBYQUJDZMH-UHFFFAOYSA-N 449.894 5.207 30 20 IKED N#CCC[C@H](NC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1)c1ccccc1 430895125 SIDHDVDDCYDINC-VQTJNVASSA-N 430.321 5.480 30 20 IKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@@H](CCCC#N)c1ccccc1 432675301 KMZVNLDMCXGLGQ-QHCPKHFHSA-N 441.535 6.196 30 20 IKED CCN(C(=O)Cc1ccc(NC(=O)N[C@H](CCC#N)c2ccccc2)cc1)c1ccccc1 439303459 FFOINQCTLASROC-RUZDIDTESA-N 440.547 5.449 30 20 IKED CCCc1c(NC(=O)Nc2ccccc2SC[C@H](C)C#N)cnn1-c1cccc(C#N)c1 439323744 GEFRPOQXJXMJIV-QGZVFWFLSA-N 444.564 5.592 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(CCc1ccccc1)C1CCCC1 439338549 CMDTVZLALQLAAP-LJQANCHMSA-N 435.593 5.033 30 20 IKED Cc1c(Br)cccc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 442816827 XFWFXWZFXDANHO-LBPRGKRZSA-N 433.277 5.649 30 20 IKED Cc1csc(-c2cccc(S(=O)(=O)Nc3ccccc3SC[C@H](C)C#N)c2)n1 443416216 SOZUWQIMUSYLTE-CQSZACIVSA-N 429.592 5.171 30 20 IKED CCN(CC)C(=O)c1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1Cl 443949116 RPCJAXHOZVSVAX-UHFFFAOYSA-N 436.943 5.333 30 20 IKED Cc1cccc2nc(C3CCN(C(=O)c4ccc(Oc5ccc(C#N)cn5)cc4)CC3)oc12 444556684 VNMADFAYGJXZOS-UHFFFAOYSA-N 438.487 5.215 30 20 IKED N#Cc1cccc(-c2nnc(N3CCC(c4ccc(O)cc4)CC3)n2Cc2cccs2)c1 461510779 DVIUNUSGVLOFSH-UHFFFAOYSA-N 441.560 5.016 30 20 IKED N#CCSc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)c1 463549886 YAHGBMBAKCOXPB-UHFFFAOYSA-N 439.899 5.599 30 20 IKED N#C[C@H](C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1cc(C(F)(F)F)ccn1 464428175 RRIAUALLAIQETB-INIZCTEOSA-N 426.354 5.242 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)cc1 464980880 VFAOTSRCBBMSEN-UHFFFAOYSA-N 439.559 5.396 30 20 IKED COC(=O)[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 466241524 QKWLJMBLEJXGIO-FGZHOGPDSA-N 447.922 5.074 30 20 IKED CCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 470150335 HJDRAPJBXZTMIV-IBGZPJMESA-N 438.531 5.867 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C[C@@H](c2ccsc2)O1 470590125 DXRJXHPAYFHQNU-QRQCRPRQSA-N 437.496 5.545 30 20 IKED C=CCC[C@@H](NC(=O)N1CCSC[C@@H]1c1nccs1)c1ccc(C(F)(F)F)cc1 474016589 JGESZJKHIRCBPZ-IAGOWNOFSA-N 441.544 5.669 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(c1ccccc1)[C@H](C)c1ccc(Cl)cc1 482818534 DGTASFDVJWMUIK-GOSISDBHSA-N 433.939 5.656 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)c1nccc2ccccc12 483193893 JDDUJHIMDZBAMS-QGZVFWFLSA-N 434.282 6.219 30 20 IKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4cnc5ccccc5n4)cc3)o2)cc1 483243083 LVHKOSIDXXYKAB-FQEVSTJZSA-N 431.455 5.145 30 20 IKED N#CC[C@H](CC(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)c1ccccc1 483602873 DVLPXEPFWVTYQY-GOSISDBHSA-N 441.447 5.067 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1 483773794 MUPJLGBHGZYVCZ-UHFFFAOYSA-N 441.482 5.540 30 20 IKED Cc1c([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)oc2ccccc12 484592453 HHQMRXFBTSITMD-KRWDZBQOSA-N 439.471 5.221 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H]2SCCc3ccccc32)cc1 487867368 DLAQCMIZJVHUQC-XMMPIXPASA-N 430.598 5.611 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CSc2nc3ccccc3o2)cc1 487974735 MVGIPCSPONPRHN-UHFFFAOYSA-N 431.492 5.160 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@@H](c2ccc(F)cc2)C(F)(F)F)n(C2CCCC2)c1C 488201642 STBPZTPXVNEUJA-FQEVSTJZSA-N 436.453 5.063 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)nnc1-c1ccccn1 488924431 YWNIAVORFOUIHN-QZTJIDSGSA-N 443.576 5.037 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)nnc1-c1ccccn1 488924433 YWNIAVORFOUIHN-ZWKOTPCHSA-N 443.576 5.037 30 20 IKED C=C(C)Cn1c(S[C@H](C)C(=O)Nc2ccccc2[C@H](C)CC)nnc1-c1ccncc1 489385766 FQPRAGBIDQRBEY-QZTJIDSGSA-N 435.597 5.549 30 20 IKED C[C@@H]1CN(C(=O)N[C@H](CCC#N)c2ccccc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 489762393 NDKWAOPCWVEBKH-HBGVWJBISA-N 431.458 5.222 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)c3sccc3Br)o2)cc1 489780785 IFPVWILDUWJOID-UHFFFAOYSA-N 437.340 5.100 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3[C@@H](C)CC)o2)cc1 489788245 PNXTWNMCAUDDEC-DLBZAZTESA-N 437.565 5.934 30 20 IKED Fc1cccc(F)c1-c1nc(CN[C@H](c2ccccc2OC(F)F)C(F)(F)F)co1 492371751 DQXJOGJHMSEKJT-MRXNPFEDSA-N 434.311 5.614 30 20 IKED C[C@@H](CC(=O)N[C@H](C#N)c1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1 499391850 BWXPORQAGIKMJJ-YVEFUNNKSA-N 425.248 5.343 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCc1cc2ccccc2nc1O 503301670 LTENQYAXYPBCFP-UHFFFAOYSA-N 439.490 5.426 30 20 IKED CN(C(=O)CSc1ccc(C#N)cc1)[C@@H]1CCSc2ccc(Br)cc21 504572255 GIUSSWHJZHVONZ-QGZVFWFLSA-N 433.396 5.108 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3CCCOc4ccc(F)cc43)c2)cc1 506353073 LWIFCWBQULQCKF-DEOSSOPVSA-N 445.494 5.506 30 20 IKED Cc1ccc(I)c(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c1 508941654 KTBOUAYZMPWOKM-UHFFFAOYSA-N 444.297 5.452 30 20 IKED C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 508945039 IHIURRCKKWAEOE-AWEZNQCLSA-N 437.491 5.200 30 20 IKED Fc1ccc(-c2nc(CN[C@@H](c3ccc(OC(F)F)cc3)C(F)(F)F)co2)cc1F 510421229 UXWMPQAIKRURAP-INIZCTEOSA-N 434.311 5.614 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2Cc2ccccc2Cl)cc1 511017254 WXBGNJIMEXLJBG-JOCHJYFZSA-N 437.971 5.393 30 20 IKED C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)[C@@H]1CCCN(C2CCC2)C1 511255108 UVSDNQOYFWVKBA-GBXCKJPGSA-N 448.586 5.062 30 20 IKED CC[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(Cl)s1 512724642 HFHZATHWDZUWJR-GOSISDBHSA-N 438.940 5.798 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H](n2ncc3ccccc32)C1 512916847 GHCHGCKFXZFAEV-OAQYLSRUSA-N 437.503 5.488 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COC(c1ccccc1)c1ccccc1 515157121 ITBWTHNOEHYPBN-UHFFFAOYSA-N 449.510 5.799 30 20 IKED Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cnn1-c1ccc(F)cc1F 519029340 FERQAHYQRSJLHH-UHFFFAOYSA-N 430.414 5.375 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1 519885072 DFUFHHDCBVJIFV-UHFFFAOYSA-N 432.495 5.094 30 20 IKED N#Cc1ccc(NC(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)cc1Cl 521656889 ATXDSCXDRDNQPS-KRWDZBQOSA-N 428.678 5.263 30 20 IKED CC(=O)N1CCCc2cc(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)ccc21 522635824 ZPGPQEVIAQCTJF-UHFFFAOYSA-N 445.906 5.555 30 20 IKED CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 523975722 NVJHDIGBDVCBNQ-UHFFFAOYSA-N 441.821 5.493 30 20 IKED COc1ccc([C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)c2ccc(F)cc2)cc1 524436811 MEHWCTBVVUZZQS-OAQYLSRUSA-N 441.409 5.218 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](CCCO)c2ccccc2)cc1Cl 525417296 YHGCQWQAHWTBGJ-UPVQGACJSA-N 433.939 5.631 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(Oc4ccccc4Cl)cc3)CC2)o1 530381620 YRMUOFAUFYILSH-UHFFFAOYSA-N 436.899 5.156 30 20 IKED CC[C@@H](C)n1ncc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1C1CC1 536486074 OEWXHMHOUDPTPS-GOSISDBHSA-N 443.551 6.135 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1cc(C(C)(C)C)sc1C#N 536973227 SMDFQCNQAQZTIY-UHFFFAOYSA-N 429.542 5.653 30 20 IKED C[C@H](NC(=O)c1ccc(OC2CCOCC2)cc1)c1ccc(-c2cccc(C#N)c2)cc1 543857189 YFIHNLCCRITDNO-IBGZPJMESA-N 426.516 5.274 30 20 IKED COc1ccc(C2(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CCOCC2)cc1 545997377 GEUFSGQRGRUCRE-UHFFFAOYSA-N 442.515 5.355 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)c1nc(-c2ccc(C(F)(F)F)c(F)c2)no1 546411640 WSVJVZQAUUKRDT-QMMMGPOBSA-N 436.331 5.422 30 20 IKED N#Cc1ccccc1-c1ccc(CN2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)cc1 550099701 HYKUFUPOOUZHNL-UHFFFAOYSA-N 445.950 5.435 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Oc2ccc(OC)cc2)nc1 554234304 VKAKSFLJMLSMAR-UHFFFAOYSA-N 435.528 5.270 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)s2)cc1 557320606 XGKLCPWUAJAMOD-GFCCVEGCSA-N 430.455 5.203 30 20 IKED CSCC[C@@](C)(C#N)NC(=O)c1oc2ccccc2c1CSc1ccccc1Cl 561813037 DSDVDCSWNINJGW-QFIPXVFZSA-N 445.009 6.144 30 20 IKED C[C@H](Sc1ccccc1)c1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 567317113 BJMQYSZSIOCVGO-IBGZPJMESA-N 443.576 5.161 30 20 IKED C[C@H](Oc1ccccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(F)(F)F 573841957 RNAFSHULFPMVLG-AWEZNQCLSA-N 427.382 5.327 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)n2)cc1 585698979 XKILOEORGOTABT-UHFFFAOYSA-N 439.422 5.139 30 20 IKED N#Cc1cc(Cl)c(C(=O)N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c(Cl)c1 589840700 VERSATPCSUPIGU-INIZCTEOSA-N 429.225 5.098 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccncc2C(F)(F)F)cc1 590537242 FMGMSEMVUZTVBB-UHFFFAOYSA-N 427.451 5.194 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(C[C@H](C)c3ccccc3)o2)c1 597705545 GRYCGOWPXNRHNW-VQTJNVASSA-N 448.592 5.460 30 20 IKED C=CCN(C(=O)COC[C@@H]1CCCO1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 603434425 JAIIQJYXRHFAPE-QFIPXVFZSA-N 434.561 5.192 30 20 IKED Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c12 603765602 XGGHHDFFXIUJDR-UHFFFAOYSA-N 447.454 5.510 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1cccc(OCCCC#N)c1 603972112 VVEMQQVAOBRHSD-UHFFFAOYSA-N 445.466 6.072 30 20 IKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 604520005 ZETVSVMFMSOQAE-RPLLCQBOSA-N 440.543 5.377 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 604562580 SZAPIXIJPHXLSC-UHFFFAOYSA-N 443.494 5.680 30 20 IKED CC(C)Oc1ccc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 608785604 QAYRYZAOTOVGOK-HXUWFJFHSA-N 445.538 5.958 30 20 IKED Cc1ccc(C)c(Oc2ccc(CNC(=O)N(Cc3ccc(C#N)cc3)C(C)C)cn2)c1 608918943 VYXAHYMBYQXQDP-UHFFFAOYSA-N 428.536 5.483 30 20 IKED CCCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 609071434 WRJYTQRCNGWCNO-UHFFFAOYSA-N 449.532 5.063 30 20 IKED COc1ccc(SCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 609378504 LHGCLSQMDYAIAP-UHFFFAOYSA-N 426.485 5.451 30 20 IKED Cc1occc1C(=O)Nc1cc(NC(=O)CCCCOc2cccc(C#N)c2)ccc1F 609500702 MXUZJGLWABAWCZ-UHFFFAOYSA-N 435.455 5.039 30 20 IKED COc1cc(CSc2n[nH]c(-c3ccccc3)n2)ccc1OCc1cccc(C#N)c1 609722046 ZJPJLRACPZKTTP-UHFFFAOYSA-N 428.517 5.223 30 20 IKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 609987857 KSAVLSGQJHRZOH-ZEQKJWHPSA-N 425.532 5.542 30 20 IKED CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCCSCc2ccccc2C#N)c1 610221414 JIZUKCWWXSODFS-UHFFFAOYSA-N 444.000 5.250 30 20 IKED CN(C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1CCCC[C@H]1C(F)(F)F 643634159 IYBBWCVJBKFGNQ-SJHCENCUSA-N 442.366 5.658 30 20 IKED N#CCCn1cc(C(=O)CSc2nnc(-c3ccccc3)c3ccccc23)c2ccccc21 656503350 HUKXNHYBIKNWAL-UHFFFAOYSA-N 448.551 6.140 30 20 IKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 667481877 KKJSENJNECJXJN-BXKDBHETSA-N 437.302 5.340 30 20 IKED Cc1noc(C(F)F)c1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 673812377 WPANJGOOLWPHOA-JTQLQIEISA-N 428.247 5.841 30 20 IKED O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 674028801 LFWIYFDDSYIFDW-ZPFDUUQYSA-N 442.366 5.564 30 20 IKED N#C[C@@H](C(=O)c1c[nH]nc1-c1ccc(F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 680986051 YKTFPJGOFBJQHD-ZDUSSCGKSA-N 430.386 5.334 30 20 IKED F[C@@H](c1ccc(C(F)(F)F)cc1)c1nc(Cc2ccc(OCC(F)(F)F)nc2)no1 685379617 ITQQNNPUBGYZSW-HNNXBMFYSA-N 435.299 5.074 30 20 IKED Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)c12 726319586 LGBMDBFFOCTGKZ-NRFANRHFSA-N 446.466 5.313 30 20 IKED C#Cc1cccc(NC(=S)N(C)Cc2cn(-c3ccccc3)nc2-c2cccs2)c1 726443061 FKASYQBBLLPBFN-UHFFFAOYSA-N 428.586 5.411 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN(CCC)[C@H]2CCc3ccccc32)c1=S 726588385 HYJBQEWPWWASGT-QFIPXVFZSA-N 434.609 5.633 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C[C@H]3OC(=O)c4ccccc43)cc2Cl)c1 727999837 SWIJQTLTCSHVRP-JOCHJYFZSA-N 432.863 5.031 30 20 IKED COc1ccc(CN(CC(=O)[C@H](C#N)c2nc3ccccc3s2)Cc2ccccc2)cc1 728914056 ODAWMBVKKKOJDW-QFIPXVFZSA-N 441.556 5.184 30 20 IKED COc1cccc([C@@H](C#N)NC(=O)c2cccc(CSc3ccc(C)cc3C)c2)c1OC 729427043 COFJHOWVNNNWCE-JOCHJYFZSA-N 446.572 5.608 30 20 IKED Cc1c(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)c(C#N)c2n1CCC2 730086239 ZAHYWDIWJQCCCW-VAWYXSNFSA-N 429.907 5.416 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1sccc1SC(F)F 731078015 NNGDIFZFEIKYIE-LLVKDONJSA-N 442.534 5.253 30 20 IKED C#CCN(C(=S)Nc1ccc(Cl)cc1)[C@@H]1CCOc2ccc(Br)cc21 733086516 JWAGPEDKKUDBBH-QGZVFWFLSA-N 435.774 5.258 30 20 IKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cc(C(F)(F)F)ccc1F 733202090 WEURJOPRBVHEFH-UHFFFAOYSA-N 431.414 5.474 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)NCCC(c2ccccc2)c2ccccc2)c1 733799541 STTIGGXEBISGOW-XMMPIXPASA-N 427.548 5.389 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(OCc3ccccc3C)c2)c1 733845142 NBLYZTKWKWHGTP-HSZRJFAPSA-N 429.520 5.577 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c1 733851717 IKGWJWQUYMUGTH-FQEVSTJZSA-N 431.458 5.261 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccncc3)c(Cl)c2)cc1 734080061 ISZBFEDVXRMFEY-KKSFZXQISA-N 447.922 6.002 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)c1 735165362 IOKBMQXDPXJHQK-UHFFFAOYSA-N 442.805 5.078 30 20 IKED C[C@H]1COCCN1c1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 737731857 YXDAJGDTLQRSCK-IBGZPJMESA-N 427.504 5.022 30 20 IKED Cc1nc(Cl)cc(NN=C2CCCc3nc(-c4ccccc4Br)sc32)n1 741764277 YRINYAIMLIXEOW-UHFFFAOYSA-N 448.777 5.477 30 20 IKED N#Cc1cc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)ccc1N1CCC(O)CC1 743733185 HQHWXXGONPFVRE-UHFFFAOYSA-N 446.359 5.293 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1 744528908 VZTWYVHLTRTDPX-UHFFFAOYSA-N 436.880 5.051 30 20 IKED COc1ccc(CNC(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)cc1C#N 746747674 IVCXBBXQEPTWBO-CYBMUJFWSA-N 440.956 5.213 30 20 IKED COc1cccc(Cc2cnc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)s2)c1 751995004 MBVXWMFWKPPEEE-VXKWHMMOSA-N 432.549 5.046 30 20 IKED CCCc1cc[n+](/C(C(=S)N[C@H](CC)c2cccs2)=C(/O)c2ccc(C#N)cc2)cc1 762439833 OSVWHLZHIOKIAP-OAQYLSRUSA-O 448.637 5.812 30 20 IKED CC(C)c1ccc(N2Cc3ccc(NC(=O)c4ccccc4SCC#N)cc3C2)cc1 771808160 WFPGHGMWFWLSMG-UHFFFAOYSA-N 427.573 6.198 30 20 IKED O=C1CSc2sc(C(=O)/C=C\c3nc4ccc(Br)cc4s3)cc2N1 773144044 UWLRDNQSHMEOAJ-ARJAWSKDSA-N 437.365 5.061 30 20 IKED Cc1ccc([C@@H](N[C@@H](C)c2ccc(OCC#N)cc2)c2cccc(S(C)(=O)=O)c2)c(C)c1 776164494 IVPUOHUZFDOGFF-FNZWTVRRSA-N 448.588 5.050 30 20 IKED Cc1csc([C@H](C#N)C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccc3ccccc3c2)n1 779188388 AUJQVLRZBMQRHG-ADHNFCLRSA-N 443.572 5.255 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 780156559 CNMARBXCHFFMCA-OAHLLOKOSA-N 428.423 5.086 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)c3ccccc3n2)cc1 780306183 RLAWCKLSPMXITN-FQEVSTJZSA-N 439.902 5.825 30 20 IKED COc1ccc(Br)cc1[C@H]1CCCN1C(=O)Nc1ccccc1O[C@@H](C)C#N 780679415 WWPSRMACQPJNNW-KBXCAEBGSA-N 444.329 5.118 30 20 IKED Cc1ccc(-c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)s2)o1 781760759 AWYZRWXAOFYNTB-CQSZACIVSA-N 432.473 5.592 30 20 IKED C[C@@H](OC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1nnc(-c2ccc(F)cc2)o1 782884413 NUDCRSIWUOKEMU-MRXNPFEDSA-N 443.434 5.244 30 20 IKED Cc1cc(Br)c2oc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)cc2c1 783077802 YIJZPFZKPBTTPP-GFCCVEGCSA-N 449.663 5.257 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(CCCC#N)C2=O)c1 784118129 MNIPFPYXOXTYIA-QFIPXVFZSA-N 448.592 5.184 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)c1cccc(-c2cscn2)c1)c1ccc(Cl)cc1Cl 787048732 CPMZCTCWONQNJF-YVEFUNNKSA-N 444.343 5.317 30 20 IKED N#Cc1cc(F)ccc1COC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 787830447 DRYLVGYZXOYUJS-UHFFFAOYSA-N 434.254 5.120 30 20 IKED C#CCn1ccc(CN(CC)C(=O)c2oc3ccccc3c2CSc2ccccc2F)n1 788820966 NRVOSJNVFUBIFI-UHFFFAOYSA-N 447.535 5.356 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2c(-c3ccc(C(F)(F)F)cc3)noc2C)c1 790642853 DCWIAKBGUXYMAH-SFHVURJKSA-N 443.425 5.280 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccccc1)C[C@@H](O)c1cnn(CC)c1 792402443 XJAJYHYHHOGBMD-RUZDIDTESA-N 446.595 5.523 30 20 IKED COc1ccccc1-c1ncc(/C=C2\CCOc3c(ccc(Cl)c3Cl)C2=O)cn1 792882819 APBCVTJALHDEJS-GXDHUFHOSA-N 427.287 5.508 30 20 IKED Cc1c(C(=O)OCc2nc(O)c3ccc(C(F)(F)F)cc3n2)sc2ccc(C#N)cc12 796614898 LWGWGEXHTOYGJM-UHFFFAOYSA-N 443.406 5.106 30 20 IKED CCCCn1c(SCCO[C@H](C)C#N)nc2scc(-c3ccc(F)cc3)c2c1=O 801655295 VJUOSOZPKMAKCU-CQSZACIVSA-N 431.558 5.085 30 20 IKED CC(C)(C)CCC(=NNc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cscn1 807975357 QASMLFADAGNFIE-UHFFFAOYSA-N 449.627 5.043 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(C(F)(F)F)cc(Cl)n1 810094040 RPIYFJPTBRFWKU-QMSLJYSESA-N 442.709 5.393 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](Cc2ccccc2)c2ccc(OC)cc2)c1 811880118 ISZJVVSHIGQIRY-JYFHCDHNSA-N 443.547 5.159 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 812184796 JOBQNAOQOUTRIR-NQYLQCIDSA-N 439.362 5.153 30 20 IKED Cc1ccc(Cn2nc(C)c(CCC(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)c2C)cc1 813217428 LBEXHDIQHFMJGL-OAQYLSRUSA-N 440.469 5.080 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)NCc2ccc(-c3ccccc3)cc2F)ccc1OC 813641506 WDZYKFGFJWEPIL-QFIPXVFZSA-N 447.510 5.182 30 20 IKED CCOc1cc(/C=C/C(=O)c2cnc3sc(C(=O)OC)c(C)c3c2)cc(Cl)c1O 914773300 CWZHKVFOOQLOMA-AATRIKPKSA-N 431.897 5.045 30 20 IKED N#C[C@@H](C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)NC1CCCCC1 916895923 WVYCIQOAPPHBCN-JTHBVZDNSA-N 440.996 5.320 30 20 IKED CCc1ccc(C(=O)CCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916906406 SXSXJBODMAKDET-JOCHJYFZSA-N 440.499 5.352 30 20 IKED N#C[C@H](C(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)C(=O)Nc1ccccc1Cl 916911272 VFKBUCDOOSATSC-WSACYYNKSA-N 449.776 5.111 30 20 IKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1nc2cc(Cl)ccc2s1 917042346 AEUVGINKHXPGMN-WMLDXEAASA-N 438.940 5.070 30 20 IKED N#C[C@H](C(=O)CSc1ccc([N+](=O)[O-])cc1)c1nc2cc(C(F)(F)F)ccc2s1 917044140 QWLDAIVNCBQJEE-CYBMUJFWSA-N 437.424 5.192 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2[nH]c(-c3ccccc3)nc2C)cs1 917559896 DTDOXFRXEIITKB-SDNWHVSQSA-N 442.544 5.731 30 20 IKED COc1ccc(-c2nn(Cc3ccccc3)cc2C=NN[C@@H](C)c2ccccc2)cc1OC 920383237 USPWLBHXWDTCFG-FQEVSTJZSA-N 440.547 5.300 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)CCOc3ccc(C)cc3)cc2)CCC1)C(F)(F)F 1785969108 FZQTYOLASGPQPS-UHFFFAOYSA-N 446.469 5.017 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4occc4c3)cc2)CCC1 1789048935 UMKITVHJZNOXII-UHFFFAOYSA-N 432.520 5.163 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccccc4)nc3)cc2)CCC1 1789957796 PHFWIYPXSHMVDG-UHFFFAOYSA-N 437.543 5.300 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCC4CCC4)CCC3)cc2)c1 1792123264 QLZQYWHRUFFEBA-IBGZPJMESA-N 429.564 5.642 30 20 IKED Cc1nc2cc(C(=O)NC3(c4ccc(NC(=O)C5(C#N)CCC5)cc4)CCC3)ccc2s1 1792230529 XOYZPPKCGPZZGZ-UHFFFAOYSA-N 444.560 5.046 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3occc3c2)CC1 1823752367 RGPQTFZWVRERFL-QHCPKHFHSA-N 436.596 5.659 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](F)c2ccccc2)CC1 1824139316 KFSILVRYYSEZGT-DNQXCXABSA-N 426.576 5.085 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)c2cccs2)CC1 1829071731 YDNISSDUTUMQGM-TZIWHRDSSA-N 430.658 5.464 30 20 IKED CCCCC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830633834 UHQCNOANIVCNFL-SQJMNOBHSA-N 437.628 5.202 30 20 IKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2C)CC1 1832703881 FEDYRWMVSMUHAA-QFIPXVFZSA-N 448.529 5.051 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2ccc(Br)cc2)nnc1-c1ccccc1 9447885 CPRGECDHFRNYHB-CQSZACIVSA-N 428.355 5.257 30 20 IKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2cccc(O)c2)cc1 11249649 BVTCEASEGSEVTP-UHFFFAOYSA-O 427.496 5.132 30 20 IKED CC(C)c1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2cccc(O)c2)cc1 11263106 YSXLZPNQWIOKKP-UHFFFAOYSA-O 427.496 5.132 30 20 IKED CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc2ccccc2n1CCC#N 14301113 QPDPLUTYYMYCTC-IBGZPJMESA-N 429.351 5.774 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1cccc(C)c1 17708609 BTVNDRHIVJLLIQ-HNNXBMFYSA-N 448.508 5.251 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)nnc1-c1ccncc1 18404672 CORJNJSORICIDO-HSZRJFAPSA-N 449.624 5.255 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)CSc2cc(C)c(Br)cc2C)cc1 29203961 NXOOFUAGAHUWHO-UHFFFAOYSA-N 448.386 5.104 30 20 IKED C=CCn1c(SCC(=O)Nc2cnc3ccccc3c2)nnc1-c1ccc(Cl)cc1 32451216 ISKQZRZXBQPZSX-UHFFFAOYSA-N 435.940 5.064 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(-c4ccccc4F)o3)s2)cc1 60525999 KAKNFHJMQXCHFT-UHFFFAOYSA-N 436.493 5.353 30 20 IKED Cc1noc(C)c1CSc1ncccc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 60526071 NFZGAKXVBHGDNC-UHFFFAOYSA-N 447.545 5.226 30 20 IKED COc1cc(C)ccc1Oc1ccc(N[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1F 62243212 MAKPXMCVLSACAQ-QGZVFWFLSA-N 425.504 5.078 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(Oc2ccccc2OCC)nc1 63402849 QOFPUXQNVVWJFC-UHFFFAOYSA-N 442.519 5.042 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc(-c2ccsc2)no1 96957263 KXJLFRDXMFFXIR-UHFFFAOYSA-N 445.957 5.100 30 20 IKED C=CCOc1ccc(/C=C(/Cl)c2nnc(C(=O)NCc3ccc(C)cc3)s2)cc1 97003045 HXXFQLGKLAWEKU-CPNJWEJPSA-N 425.941 5.078 30 20 IKED Cc1cc(/C(O)=N/c2nc(-c3ccccc3Cl)n[nH]2)c2cc(Br)ccc2n1 97576515 APSMFACNZADZPZ-UHFFFAOYSA-N 442.704 5.381 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 255951492 HPECQZDICJJCER-RUZDIDTESA-N 441.600 5.417 30 20 IKED Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Nc1ccccc1SC[C@H](C)C#N 303380634 MMXGSFSRGJNCSO-QGZVFWFLSA-N 433.581 5.122 30 20 IKED C[C@H]1CN(c2ccccc2NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[C@@H](C)O1 303635339 PNIYBCQCKMFZTK-BGYRXZFFSA-N 441.531 5.003 30 20 IKED N#Cc1ccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1C#N 303798504 JFLFJQLYHDATBC-UHFFFAOYSA-N 437.890 5.117 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccc(-c3cncnc3)cn2)cc1Cl 410158911 KPAAYWDGRPVPLZ-UHFFFAOYSA-N 427.851 5.108 30 20 IKED C=CCCc1ccccc1NC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1 410363367 FRPCWBWHIBHYCI-SIKLNZKXSA-N 430.470 5.372 30 20 IKED Cc1cccc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c1NC(=O)c1ccccc1F 430589538 IHWCJEYJWVQWKQ-KRWDZBQOSA-N 435.524 5.631 30 20 IKED O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)N[C@H](c1cc(F)ccc1F)C(F)F 433582690 BAIXIXMODZGVSR-OAHLLOKOSA-N 446.326 5.297 30 20 IKED CN(C(=O)c1cccc(COc2ccccc2C#N)c1)c1nc2cc(Cl)ccc2s1 435967380 NVSFFCOMHUNJBE-UHFFFAOYSA-N 433.920 5.677 30 20 IKED Cc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(C)n1-c1nccs1 437496278 XYXUKCRJXHTDSW-UHFFFAOYSA-N 432.480 5.606 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)cc1 437899335 UWRNFAFEUNTDQO-UHFFFAOYSA-N 445.485 5.598 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C[C@@H](c2ccc(F)cc2)O1 438659175 DXELBYIFEOMITH-GYCJOSAFSA-N 449.457 5.623 30 20 IKED CCCc1c(NC(=O)Nc2ccccc2CC(F)(F)F)cnn1-c1cccc(C#N)c1 439316652 KGIVPFPYWUVCBO-UHFFFAOYSA-N 427.430 5.445 30 20 IKED CCCc1c(NC(=O)[C@H](C)c2ccc(Br)s2)cnn1-c1cccc(C#N)c1 440073989 FWSJZVUOKQERGJ-CYBMUJFWSA-N 443.370 5.263 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1cccc([C@H](C)OC)c1)c1ccc(C(F)(F)F)cc1 442058177 NSTFJEYMPDBQPE-YWZLYKJASA-N 434.458 5.175 30 20 IKED C=CCn1c(SCc2nc(-c3ncoc3C)no2)nnc1-c1ccc(Cl)cc1Cl 445812860 ZDENHHXUNSUERU-UHFFFAOYSA-N 449.323 5.077 30 20 IKED N#Cc1c(NC(=O)c2sc(Br)cc2[N+](=O)[O-])sc2c1CCCCCC2 447391575 KDFFXPGXWNZJOM-UHFFFAOYSA-N 440.344 5.263 30 20 IKED CCOc1ccc(O[C@@H](C)c2nnc(N3CC=C(c4ccc(C#N)cc4)CC3)n2CC)cc1 460200790 JKAMFQOOLPZCII-IBGZPJMESA-N 443.551 5.002 30 20 IKED Cc1nc(CSc2ccc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)cc2)cs1 464459483 HRBQRMQOCWTUBH-QGZVFWFLSA-N 433.480 5.648 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(-c2ccccc2OC)cc1 466062687 CHZCKGBAHGEBRS-HXUWFJFHSA-N 427.548 5.917 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3cccs3)CC2)cc1Cl 467024024 SCYACMMFPOFQNQ-HXUWFJFHSA-N 436.968 5.411 30 20 IKED C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ncc(-c2ccc(Cl)cc2)o1 468773388 AYTSINVSOYLZGL-INIZCTEOSA-N 434.927 5.751 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N(C)[C@@H](C)c1sc(-c2ccccc2)nc1C 469222644 FJAQKNRZSCMISA-SFHVURJKSA-N 449.576 5.377 30 20 IKED C[C@@H](NC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1nc(C(F)(F)F)cs1 470566313 OXKUNWISBYNDDZ-MRVPVSSYSA-N 426.357 5.229 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 474195570 RCMKUZKICLQHNJ-UHFFFAOYSA-N 444.510 5.070 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 478885616 NOMAOCHCGREUJS-NEPJUHHUSA-N 437.311 5.650 30 20 IKED Cc1nnc(-c2ccccc2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)o1 479689858 QYCFCHHJNDMMCF-NRFANRHFSA-N 428.879 5.606 30 20 IKED Cc1nc(-c2ccccc2)ncc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 480518754 BTHCWRNABMBWFA-UHFFFAOYSA-N 434.499 5.349 30 20 IKED Cn1cc([C@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c2ccc(F)cc2)cn1 480588027 MUZGDSVOWMUOKK-XMMPIXPASA-N 441.466 5.134 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2cnc3ccccc3n2)ccc1OCc1ccc(Cl)cc1 483218917 QYOKXCFZRYQGSJ-LJQANCHMSA-N 443.890 5.361 30 20 IKED CCCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 483636752 NJYIVIHLMNCACA-RUZDIDTESA-N 429.539 5.972 30 20 IKED O=C(N1CCC(C(F)F)CC1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 484736506 NDZUFTWKIZFYDQ-NVAPZFPCSA-N 447.410 5.612 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 488311651 JICZMTYTEUNPBL-LBPRGKRZSA-N 438.431 5.187 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)c3nc(-c4ccc(F)c(C)c4)no3)o2)cc1 489815307 YEDHKPATVOCUPJ-AWEZNQCLSA-N 438.484 5.652 30 20 IKED CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 490449138 LURKPCKBHVENBU-REWPJTCUSA-N 445.950 5.071 30 20 IKED CC(C)(C)C[C@@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)c1ccc(Cl)cc1 493472423 KRXSCYVIYMMAOM-OAQYLSRUSA-N 441.959 5.255 30 20 IKED Cc1cc(NC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)nn1CCC#N 496917188 YBUHETDKBCDSAI-UHFFFAOYSA-N 435.340 5.103 30 20 IKED Cc1nc(C(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c(C)o1 499048502 QVXXAZDGZLPTGT-LBPRGKRZSA-N 434.258 5.362 30 20 IKED CSc1ccc([C@H](C)NCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)cc1 500237665 LLLMAKCYYUZQTG-SFHVURJKSA-N 432.593 5.036 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCC(=O)c1ccc2c(c1)OCCO2 500738191 LUTMADIHJBYCAY-UHFFFAOYSA-N 442.471 5.032 30 20 IKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccc(OC(F)(F)F)cc1 502086119 CLZWNKNQGJDVSA-UHFFFAOYSA-N 425.300 5.255 30 20 IKED CCCN(CCc1cccc(F)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 502636886 SJDFCYMGPNYBEQ-UHFFFAOYSA-N 445.538 5.957 30 20 IKED CCc1ccc(Cl)c(CC)c1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 502672393 VYHRQDIFPZYWQU-UHFFFAOYSA-N 438.959 5.219 30 20 IKED CC(C)c1noc2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c12 505440440 PXRCCWMNFMURNV-AWEZNQCLSA-N 436.924 5.977 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 505917286 OHFNRDUVVBQGAI-HNNXBMFYSA-N 438.673 5.744 30 20 IKED COc1ccc(COCc2cccc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)c2)cc1 508157410 DNEHAHSKVSPTEO-UHFFFAOYSA-N 430.479 5.093 30 20 IKED CO[C@@H](CSCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)cc1 509132682 SAEDURXZRUTIBU-KXBFYZLASA-N 435.014 5.651 30 20 IKED COc1ccc(CN(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(OC)c1 509897343 ISYIEIFSOHAZPI-UHFFFAOYSA-N 445.519 5.013 30 20 IKED CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC 511562653 MHXMZCHCFCFNOD-UHFFFAOYSA-N 447.447 5.227 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F 511694421 BMAUTXRPEFHFCP-MJGOQNOKSA-N 429.536 5.177 30 20 IKED C=CCN(C(=O)[C@H]1CCCN(C(C)=O)C1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 511957249 NJGODCQVLLBSRH-QHCPKHFHSA-N 445.588 5.255 30 20 IKED CCc1ccc([C@H](N[C@H](C)c2ccc(C#N)cc2F)c2cccc(S(C)(=O)=O)c2)cc1 512628396 DZBOPOGRFSTAJI-NSYGIPOTSA-N 436.552 5.103 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1ccc(C(F)(F)F)cn1 513202990 WDBJPRRJZBWXQQ-AWEZNQCLSA-N 430.407 5.090 30 20 IKED N#C[C@@H](C(=O)c1ccccc1OCCOc1ccccc1)c1ccc(C(F)(F)F)cn1 513213145 CYZFPRUPYLHVDR-LJQANCHMSA-N 426.394 5.048 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 514495760 BYPGIFRRQMSYJQ-MRXNPFEDSA-N 445.519 5.286 30 20 IKED Cc1csc(NC(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)c1C#N 515250682 VDGYMJDZKWZRGL-UHFFFAOYSA-N 436.562 5.519 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(Oc3cccnc3)cc2)cc1 517971356 PYJCFGKFBYHXLY-UHFFFAOYSA-N 437.474 5.727 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)c1cc(F)ccc1F 518038310 IYPFHZRUJJCICN-CYBMUJFWSA-N 449.910 5.338 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)CCCc2ccc(Br)s2)CC1 518957056 XGNIHTWRMLSLNC-UHFFFAOYSA-N 447.398 5.211 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@@H](CN4CCCCCC4)C3)cc2)cc1 520356495 IZNLCFMORAHFGV-QHCPKHFHSA-N 431.580 5.273 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 520854459 RQEMFILMKVDUKX-QGZVFWFLSA-N 446.580 5.135 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 521259451 NJBORYRGLBZXJN-AUUYWEPGSA-N 434.392 6.614 30 20 IKED COc1ccc(CN[C@H](c2ccccc2)c2cccc3ccccc23)cc1OCCCC#N 522062925 KSCZLMXWSKHJBC-GDLZYMKVSA-N 436.555 6.410 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC1(c2ccccc2)CCOCC1 522132845 VNDVWPYRIPZWQE-UHFFFAOYSA-N 427.504 5.486 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 523287282 VYCMFMRDBSHSHD-UHFFFAOYSA-N 443.528 5.360 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cc(C(F)(F)F)cnc2O)c1 523948143 MLNBKYQVNJYTEH-UHFFFAOYSA-N 433.773 5.376 30 20 IKED C=C(C)COc1cccc(NC(=O)C(=O)N(Cc2ccccc2)[C@@H](C)c2cccs2)c1 524081479 KNZLSYGLVPBRJZ-IBGZPJMESA-N 434.561 5.432 30 20 IKED N#Cc1cccc(-c2nnc(CSc3ncnc4cc(-c5ccc(F)cc5)sc34)o2)c1 525624057 JMMJMRGUVQFHGF-UHFFFAOYSA-N 445.504 5.711 30 20 IKED C=C(C)[C@H](CC(=O)N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21)OCC 533710989 DBMHWMJGAJUHNX-QFIPXVFZSA-N 425.504 5.120 30 20 IKED CCN1CCC(n2nccc2NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 534137664 UKMBPSKVOSUFGI-UHFFFAOYSA-N 449.942 5.110 30 20 IKED Cc1nc(COc2cccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)c2)no1 535367787 WUUCJOAUNXZCON-UHFFFAOYSA-N 440.459 5.182 30 20 IKED Cc1ccc(-n2c(SCCCC3(C#N)CCOCC3)nnc2-c2ccncc2)cc1C 539512427 QZUZRBZNCJNCAP-UHFFFAOYSA-N 433.581 5.139 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H](C)C[C@@H]1c1cccnc1 542674896 WEGXVPAYBAQXSM-IQGLISFBSA-N 426.520 5.456 30 20 IKED C[C@H](NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)c1ccc(-c2cccnc2)cc1 542964842 UCVDBCZKAWXDDI-INIZCTEOSA-N 442.910 5.342 30 20 IKED C[C@@H](NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)c1ccc(-c2cccnc2)cc1 542964843 UCVDBCZKAWXDDI-MRXNPFEDSA-N 442.910 5.342 30 20 IKED N#Cc1cccc(-c2nnc(N3CC[C@H](c4ccc(Cl)cc4)C3)n2C[C@@H]2CCCCO2)c1 549672078 MYBGAWLYWMLFIN-GMAHTHKFSA-N 447.970 5.033 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1csc(C(F)(F)F)n1 552460783 RDQRKTVISIMJGK-UHFFFAOYSA-N 436.299 5.472 30 20 IKED C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccccc3Sc3ccccc3C#N)n2)C1 557559763 SXZVCRWPTPPJMP-QGZVFWFLSA-N 448.617 5.650 30 20 IKED N#Cc1cc(Br)ccc1CSc1nnc(-c2ccc(OC(F)F)cc2)o1 557750240 FTXJVYRCGNBKQM-UHFFFAOYSA-N 438.253 5.264 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1sc(C(C)(C)OC)nc1C 558506106 UNBOVGPJVOQTOG-UHFFFAOYSA-N 441.366 5.063 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1)[C@@H]1C[C@H]1C 561654458 MUZLTZFIFJFVJP-CRICUBBOSA-N 425.488 5.364 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC(CC(F)(F)F)CC1 562026724 BZLIJLRXMBCEKE-MRXNPFEDSA-N 438.494 5.172 30 20 IKED COC(=O)[C@@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(Cl)c(Cl)c1 566947586 SEBFFKQMBLQHEN-FQEVSTJZSA-N 428.275 5.379 30 20 IKED CCOc1nc(C(F)(F)F)ccc1-c1nc([C@@H](F)c2ccc(C(F)(F)F)cc2)no1 573960289 FCEXSKFBFNFFJJ-ZDUSSCGKSA-N 435.299 5.627 30 20 IKED N#Cc1ccc(N2CCC(NC(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2)nc1 589379633 RCADIUCSMJDTKQ-UHFFFAOYSA-N 447.926 5.189 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N 598662219 SKTNWCPYZLPKMG-ZDUSSCGKSA-N 425.501 5.037 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1 603656375 RJMKKFOKBRDPNI-UHFFFAOYSA-N 438.984 6.162 30 20 IKED O=C(NCCSCc1ccccc1F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603685348 LPYPCAUAOPVXSD-CHWSQXEVSA-N 446.432 5.268 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(=Cc4cccc(F)c4)CC3)cn2)c1 603828923 DWXSTUBEARUKTH-UHFFFAOYSA-N 428.467 5.596 30 20 IKED COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1 603835741 RJLMLQYVUZAXPC-NRFANRHFSA-N 439.427 5.434 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2csc(-c3ccccn3)n2)cc1 604004031 WBOGNPLFCBGLIM-UHFFFAOYSA-N 440.528 5.031 30 20 IKED COc1nc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc2ccccc12 604005409 CJCHTAMIROHQAK-AWEZNQCLSA-N 427.407 5.362 30 20 IKED Cc1ccc(-c2ncc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)s2)c(C)c1 604509071 RESPJLKGDUBFGR-UHFFFAOYSA-N 430.558 5.598 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3cccc4c3OCCO4)cc2)cc1 608996103 SNDRPSJZTGXGFU-HSZRJFAPSA-N 441.487 5.491 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](c1nc(C2CC2)no1)C(C)C 609046326 BXQDMHYAKIFBHH-NRFANRHFSA-N 431.496 5.438 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 609430330 PHLKVBGYMNTCKZ-DZGCQCFKSA-N 448.375 5.379 30 20 IKED N#Cc1ccc(NC(=O)N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)cc1 609443027 CGAGEUSJJOHRIP-XMMPIXPASA-N 445.567 5.279 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)nc2ccccc2c1=O 611636895 GIVIASWRPFZBSY-MSOLQXFVSA-N 443.572 5.094 30 20 IKED CC(C)[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccnn1C 615974313 GTTJFVRYUSTNBP-RTWAWAEBSA-N 435.959 5.290 30 20 IKED CCOc1cc(CN[C@H]2CCc3cc(C#N)ccc32)cc(Br)c1OC(F)F 618740992 BEDITVNJRVVDIJ-KRWDZBQOSA-N 437.284 5.098 30 20 IKED N#C[C@H](C(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1nc2ccccc2n1C(F)F 642282311 BWAHTDUAVRSRAW-MRXNPFEDSA-N 443.413 5.367 30 20 IKED O=C(Nc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)c(C(F)(F)F)c1)c1ccco1 646988745 LUWAZNWMSDHEEB-UHFFFAOYSA-N 446.278 5.359 30 20 IKED N#C[C@H](C(=O)c1cnccc1Oc1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 669693951 QUWGNFNLXNRWSG-OAHLLOKOSA-N 439.418 5.992 30 20 IKED CN(Cc1cc(F)c(F)c(F)c1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 679150780 JKZFYBAKSGIUIG-URLYPYJESA-N 436.318 5.155 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)N(CCc1ccccn1)Cc1ccncc1 684773907 FTMSUEGDGLZERJ-UHFFFAOYSA-N 438.556 5.215 30 20 IKED N#C[C@H](C(=O)c1ccc2c(c1)CCCCC2=O)c1nc2cc(C(F)(F)F)ccc2s1 685783895 HWIOMKDIDFJVAH-MRXNPFEDSA-N 428.435 5.714 30 20 IKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cc3c(s2)-c2ccccc2C(C)(C)C3)n1 726833339 XBLCUVJFIKNEEB-INIZCTEOSA-N 436.558 5.047 30 20 IKED CCOc1ccc(OCC)c(N=C2NN=C(c3cn(CCC#N)c4ccccc34)CS2)c1 727464241 OYOWDUCTWQHVLZ-UHFFFAOYSA-N 447.564 5.081 30 20 IKED C#Cc1cccc(N(Cc2ccco2)C(=O)CCc2nnc(-c3cc4ccccc4o3)o2)c1 728182498 ULXQFIKJQVFETA-UHFFFAOYSA-N 437.455 5.223 30 20 IKED CCN(C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 729338933 RISPSUKGWPMSRH-AUSIDOKSSA-N 435.568 5.514 30 20 IKED N#CCSc1ccccc1C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 731347787 LILOLVZPWQEXGF-UHFFFAOYSA-N 434.392 5.003 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 731400041 KOCJMJJBVBBRNG-QGZVFWFLSA-N 446.617 5.192 30 20 IKED CC(C)COc1ccc(C2(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)CCC2)cc1 731767756 IPNGPBHGKBWLDT-IBGZPJMESA-N 437.490 5.764 30 20 IKED Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 732377843 XLDYOMQJRDLFDW-IBGZPJMESA-N 428.488 5.346 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)[C@H](Sc2ccccc2)c2ccccc2)ccc1OC 733230269 NKVHCJMFVSNJRL-PXDATVDWSA-N 446.572 5.526 30 20 IKED Cc1cc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)c(C)n1[C@H](C)c1ccccc1 733253128 GNFIFTVUXPCDFW-ZHRRBRCNSA-N 436.353 5.471 30 20 IKED CC[C@H](OC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1cccc(Br)c1 733693186 TWYXHNQSIURXJZ-FQEVSTJZSA-N 443.341 5.170 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNCc2c(C)nn(-c3ccc(Cl)cc3)c2Cl)c1 733800041 CFRMGGAJMCCOHG-IBGZPJMESA-N 429.351 5.458 30 20 IKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1 734080372 RRNYWYHERKXRBJ-HNNXBMFYSA-N 444.249 5.281 30 20 IKED C[C@@H](OC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)C(=O)Nc1ccccc1C#N 735165237 CMBWNUTZSRCFOZ-OAHLLOKOSA-N 445.862 5.060 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(SCC(F)(F)F)cc2)cs1)C1CC1 741845281 ZEVFYQCRQVLPAV-WTKPLQERSA-N 426.485 5.209 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN(CCc2ccc(C)cc2)CC(F)(F)F)c1=S 743369985 FLUXDWMLQURKAH-UHFFFAOYSA-N 447.530 5.035 30 20 IKED Cc1csc(SCc2c(C(=O)N[C@@H](C)c3cccc(C#N)c3)oc3ccccc23)n1 743777094 OZTHFMYZIDXURA-HNNXBMFYSA-N 433.558 5.853 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1sc(N2CCCC2)nc1Cl 746884857 CRWGBRSUSUEXDW-UHFFFAOYSA-N 438.940 5.621 30 20 IKED CC(=O)c1cccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 747029132 ICSIOGKOIQECNN-QGZVFWFLSA-N 440.471 5.326 30 20 IKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3cccc(Cl)n3)c2C#N)C1 750162397 QAOWIYXHGQMQRU-CYBMUJFWSA-N 445.972 5.005 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1cccc2c(Br)cccc12 758420045 NUFCPNFZKRTKQR-UHFFFAOYSA-N 440.341 5.005 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 761038847 UVABVFYPAFQJTE-IBGZPJMESA-N 448.404 5.005 30 20 IKED COc1ccc(-c2nnc(SC[C@H](O)c3ccc(C#N)cc3)n2C2CCCCC2)cc1 763230804 BZLZSWZEJOZUNA-QFIPXVFZSA-N 434.565 5.156 30 20 IKED COc1cc(/C=C\C(=O)c2sc(-c3ccccc3F)nc2C)ccc1OCCC(=O)O 763373357 KWIUZQUHYGGJNI-CLFYSBASSA-N 441.480 5.016 30 20 IKED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F 763768108 VCAVVNPKLYTPBC-UHFFFAOYSA-N 431.858 5.159 30 20 IKED C=CCn1c(-c2cnccn2)nn(CN(Cc2ccccc2)[C@@H]2CCCC2(C)C)c1=S 765060224 NFSWAXINTJBSBM-OAQYLSRUSA-N 434.613 5.095 30 20 IKED C=CC[C@H](N[C@@H]1CCCc2nc(-c3ccccc3Br)sc21)c1ccncc1 766022896 YOKKSSSTWTYBCG-RBUKOAKNSA-N 440.410 6.252 30 20 IKED C=CCn1c(SCc2c(C)nn(Cc3ccccc3)c2Cl)nnc1-c1ccccn1 768419455 XJLWFPRXFDCKKY-UHFFFAOYSA-N 436.972 5.025 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cc1Cl 770075522 UUMVGQMEDOOROQ-MRXNPFEDSA-N 427.794 5.434 30 20 IKED C[C@@H]1C[C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCN1C(=O)OC(C)(C)C 772231361 QDKQRNUCGFGQJD-LEOXJPRUSA-N 448.567 5.252 30 20 IKED C[C@H](N[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccc(C#N)cc1 775158606 UFBASRQLLMYGCZ-NYHFZMIOSA-N 434.883 5.150 30 20 IKED C[C@H](NC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccc(OCC#N)cc1 776164721 VWAISJJOZKEVQH-XTQVGHSUSA-N 431.502 5.341 30 20 IKED O=C1[C@H](/N=C\c2cc(Cl)cc(Cl)c2O)CCCN1Cc1cccc(C(F)(F)F)c1 776726338 WKAAABPVJALEKG-UGLSAETGSA-N 445.268 5.328 30 20 IKED N#CCc1ccccc1CC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 776919569 DEBGDXNJXHLPAM-UHFFFAOYSA-N 429.373 5.279 30 20 IKED CC(C)(C)OC(=O)N[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)c1ccccc1 777298516 YXWVYBFSJPKJQW-WOJBJXKFSA-N 447.560 5.642 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 779021552 UIKLUDHVEWGKBV-QTGUNEKASA-N 448.567 5.109 30 20 IKED Cc1nc2c(s1)[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)CCC2 780861338 INIYXCOUUKKVCK-JOCHJYFZSA-N 434.540 5.252 30 20 IKED C[C@@H](OC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1cccc(C#N)c1 786944150 BOZZSKREIGGGGG-CYBMUJFWSA-N 430.291 5.542 30 20 IKED CC[C@H](CN(C)C(=S)Nc1ccc(C#N)c(Cl)c1)Oc1ccc(Cl)c(Cl)c1 787199200 ZFOGIVRHIPNNNY-CQSZACIVSA-N 442.799 6.005 30 20 IKED CN(C)C(=O)c1ccc(C(=O)/C=C/c2cn(C(C)(C)C)nc2-c2ccccc2Cl)cc1 792925247 JLIUWBWCCLBAKH-CCEZHUSRSA-N 435.955 5.556 30 20 IKED C[C@H](OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccccc1NC(=O)c1ccccc1 796916165 BVRICBHMEQTJKZ-KRWDZBQOSA-N 428.463 5.286 30 20 IKED C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccc(C(F)(F)F)cc1 798816781 OXWIKICZLXKYNE-BZNIZROVSA-N 442.409 5.471 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 802563226 LITWUKMYVRYEOL-UHFFFAOYSA-N 428.458 5.022 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 808830086 PDTVDZQOEVNRRL-PUZWTLIVSA-N 431.561 5.677 30 20 IKED N#C[C@@H](C(=O)CCSc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1Cl 808980036 ROFOFRAYGBFFTO-AWEZNQCLSA-N 427.740 5.477 30 20 IKED Cc1cc(C(=O)COC(=O)c2c(F)cc(C(F)(F)F)cc2F)c(C)n1CC(F)(F)F 811420311 UBBSGHMPANMMJN-UHFFFAOYSA-N 443.290 5.004 30 20 IKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccsc3)N(CC[C@H](C)F)C2=O)c1 814711729 UHZYEOGNRLCXPA-YJBOKZPZSA-N 433.574 5.073 30 20 IKED CSc1ccc(N2C[C@H](C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2=O)cc1 915085145 HDYJCIFRYTUSRE-HYBUGGRVSA-N 441.556 5.056 30 20 IKED CN(Cc1ccccc1Br)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915351474 CTUREKBXFZIJKX-NRFANRHFSA-N 434.337 5.768 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C=Nn1c(S)nnc1C(C)C 916310773 JBTQSHQNKHGBJX-UHFFFAOYSA-N 443.791 5.086 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1sc2cccc(C)c2c1Cl 916901874 BZJALGKGUOKPHI-GFCCVEGCSA-N 447.343 5.795 30 20 IKED Cc1cc(C)c(OCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(C)c1 916905454 OUHPJMBAIUSEND-NRFANRHFSA-N 428.488 5.131 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(OC2CCCC2)c(OC)c1 916907908 NTZLTRKRTQDRIK-OAQYLSRUSA-N 434.536 5.103 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](CC(C)C)NC(=O)c3ccccc3C)n2)cc1 916971913 GACDQTKDRNLGSK-VXKWHMMOSA-N 445.588 5.448 30 20 IKED CCCOc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 920141746 QCTVUBVHMKHOOT-OAQYLSRUSA-N 443.528 5.310 30 20 IKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1786395879 MJUNECWHEZPBLI-JTSKRJEESA-N 435.593 5.016 30 20 IKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)Cc3ccc(Cl)s3)cc2)CCC1 1786732690 QULNLYRNIPHISQ-UHFFFAOYSA-N 447.000 5.061 30 20 IKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4cccs4)cc3)CCC2)c1 1788163684 LHADATQVWJBKOL-VAWYXSNFSA-N 427.529 5.081 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc4ccc(OC)cc4[nH]3)cc2)CCC1 1788975047 NZAPBYXMGLAFJD-UHFFFAOYSA-N 443.547 5.118 30 20 IKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4sccc4s3)cc2)CCC1 1789255563 XLPQYOLZEVOUTK-OAHLLOKOSA-N 440.590 5.302 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)[nH]3)CCC2)cc1 1789456421 SZVUTBDGPBZYNS-SFHVURJKSA-N 445.485 5.550 30 20 IKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)CCc3ccc[nH]3)CCC2)cc1 1789508860 RICJCKUXIKZYMU-UHFFFAOYSA-N 449.671 5.133 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccoc5s4)CCC3)cc2)c1 1790256116 ROLNWNZRMNSETO-UHFFFAOYSA-N 441.512 5.427 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cccc(-c4cnco4)c3)cc2)CCC1 1790711099 HLOHZIPFTRZRBA-UHFFFAOYSA-N 441.531 5.283 30 20 IKED Cc1cccnc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792123067 IAXVEVAAKIEQTC-IBGZPJMESA-N 438.531 5.079 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 1802495824 NCVPXPDISUASHR-LOSJGSFVSA-N 447.623 5.517 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cc(C)cs2)n[nH]1 1815894533 KVHQPTIVHACKFH-TZIWHRDSSA-N 440.613 5.173 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(C(F)(F)F)CCC2)n[nH]1 1817190997 NFMXJEGSJOWUOG-INIZCTEOSA-N 440.510 5.127 30 20 IKED CC(C)c1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)cc1 1820484971 XRIITJQFYPINMX-HSZRJFAPSA-N 441.535 5.024 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cc(C)ccc2C)n[nH]1 1822048987 JXHOCWJOXHNGMF-FYYLOGMGSA-N 434.584 5.030 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccccc3o2)CC1 1828192991 QZGAHOUELWJKHV-GOTSBHOMSA-N 434.580 5.435 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3sc(C)nc3c2)CC1 1828253908 TVNFDDVTKFSUEJ-VGOFRKELSA-N 439.625 5.050 30 20 IKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)CC1 1828606241 IBVSOPFWEWKLOB-OAQYLSRUSA-N 440.584 5.077 30 20 IKED COc1ccc(-n2c(SCCCC#N)nnc2-c2cc(Cl)ccc2OC)cc1Cl 8759894 UFZJAOPJERLCER-UHFFFAOYSA-N 449.363 5.654 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccccc1)=C(/S)Nc1ccc(OC(F)F)cc1 10172746 USBYQCAKEPJCPY-UHFFFAOYSA-O 427.496 5.189 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2cccc(C)c2)c1 10172827 JAMMSPPVQDXZRE-UHFFFAOYSA-O 441.523 5.552 30 20 IKED Cc1ccc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)o2)cc1 10188832 OKSKCWCVCHGIIP-UHFFFAOYSA-N 443.532 5.055 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)n1 10399298 VCZKXAJEHSJHNN-HNNXBMFYSA-N 433.499 5.200 30 20 IKED C[C@@H](OC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc(C#N)c(Cl)c1 16458587 QVZUKPJWKLFOEL-LLVKDONJSA-N 446.315 5.173 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1ccc(Cl)cc1 16862797 KPPSXSBOBRCVDJ-INIZCTEOSA-N 426.973 5.521 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccc(OC)cc2)cc1 22731258 ZBPMTYZPUAXBCV-UHFFFAOYSA-O 447.624 6.110 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccc(F)cc1 24014715 AUQVUBUTJZAFNM-OAHLLOKOSA-N 444.963 5.660 30 20 IKED C=CCn1c(SCc2nccn2C(F)F)nc2sc(-c3ccccc3)cc2c1=O 24718475 KTOKKKRQSNNSSJ-UHFFFAOYSA-N 430.505 5.195 30 20 IKED Cc1nc(CSc2ccc(C(=O)Nc3cccc(C#Cc4ccccn4)c3)cc2)cs1 31082232 HLSWNLDKZSGMMJ-UHFFFAOYSA-N 441.581 5.791 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C(=O)N1c2ccccc2C[C@H]1C)C(C)C 32785452 QJJIRARYMMNKIA-NTKDMRAZSA-N 446.620 5.149 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccc(Cl)cc1Cl 58773063 JECCQEIZPPEKNU-UHFFFAOYSA-N 428.275 5.378 30 20 IKED C=CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccc(Br)cc1 59265885 ONFLVKKXGSOABJ-UHFFFAOYSA-N 426.343 5.062 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4[nH]3)cc12 60488169 JSHVHOGBKFDTFS-KRWDZBQOSA-N 445.935 5.474 30 20 IKED Cc1nc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)sc1SCC#N 71961650 JQZFMHYYYLVLLU-UHFFFAOYSA-N 448.982 5.287 30 20 IKED Cc1cc(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)n(CCC#N)n1 109346368 BBHNQWVNEFRHCD-UHFFFAOYSA-N 433.562 5.138 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c23)cc1 111018704 DATUTSRLAVCLOR-UHFFFAOYSA-N 444.491 5.367 30 20 IKED C[C@H](CCc1ccccc1)NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 301218605 QYVNUGAFOJTORS-LJQANCHMSA-N 443.572 5.040 30 20 IKED CCN(C[C@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)CC2 303087828 CCUSFWZMYFSMLT-CTBJKRMSSA-N 425.532 5.352 30 20 IKED N#Cc1cccc(-c2nnc(COc3cc(Cl)c(Br)cc3Cl)o2)c1 428270391 ULPHYLDXLKCTSY-UHFFFAOYSA-N 425.069 5.257 30 20 IKED CCCC(C#N)(CCC)NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 429860515 PNGAHYFRPGLIMX-UHFFFAOYSA-N 429.590 5.114 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O 430636379 YEJCFHDHJOYQTL-UHFFFAOYSA-N 440.499 5.157 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2nnc(C(F)(F)F)s2)n(C2CCCCC2)c1C 436054259 QZSHIHSXKOKRRK-UHFFFAOYSA-N 443.520 5.083 30 20 IKED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1 436252965 KTIZFHPQWYLMSG-IIBYNOLFSA-N 432.467 5.066 30 20 IKED CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 437065866 OHRCHQIINKQJQU-UHFFFAOYSA-N 431.945 5.100 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN([C@H](C)c2ccc(Cl)cc2)CC1 438068493 CTLCNRKBDWIZDS-ZWKOTPCHSA-N 443.016 5.502 30 20 IKED N#Cc1cc(NC(=O)NC[C@@H]2CCC[C@H](O)C2)ccc1Oc1ccc(C(F)(F)F)cc1 438548733 XIXOPXPWPAYIDT-KDOFPFPSSA-N 433.430 5.042 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H]([C@H]4CCOC4)C3)cc2Cl)c1 439400926 XUYSAKNQJFUDMN-PMACEKPBSA-N 439.943 5.071 30 20 IKED Cc1ccc(Oc2ccccc2)c(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c1 440627084 HTPOICIUANVCBF-UHFFFAOYSA-N 427.504 5.453 30 20 IKED CC[C@H](C)[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)cc1 442159787 ZWGJIVIAEWTIQA-QYWGDWMGSA-N 444.000 5.434 30 20 IKED C=CCC[C@@H](NC(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F)c1ccc(C(F)(F)F)cc1 446461447 ASXWQLURPYWIFI-CVEARBPZSA-N 434.384 5.049 30 20 IKED CN(C)[C@H]1CCOc2c(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)cccc21 447726681 HTYCPCOIQFNWPB-DEOSSOPVSA-N 427.504 5.182 30 20 IKED CC(C)CC(=O)Nc1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1F 460165467 ULBMCMAJWZWTGG-UHFFFAOYSA-N 431.467 5.727 30 20 IKED COc1ccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)cc1OCc1ccc2ccccc2n1 462042115 YJRFIAULQBCZAX-SFHVURJKSA-N 437.499 5.436 30 20 IKED CC(C)(C)S(=O)(=O)c1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 468093896 MICFQHCQDHIKGM-UHFFFAOYSA-N 434.517 5.175 30 20 IKED N#C[C@H]1N(C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)CCC[C@]12CCCCO2 468135901 IFPFKUPAXLBFSW-SHQCIBLASA-N 445.538 5.360 30 20 IKED N#C[C@H]1N(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)CCC[C@]12CCCCO2 468672115 YEHNMYBBKXEUQO-XMSQKQJNSA-N 446.334 5.248 30 20 IKED Cc1ccsc1[C@H](Cc1ccccc1)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469317896 LFEZFOMEVNUWSE-QHCPKHFHSA-N 429.589 6.035 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1cn(-c2ccccc2)nn1 471435120 GNGWWHQSQWGAKB-IAGOWNOFSA-N 437.594 5.094 30 20 IKED C=CCOc1c(Br)cc(CNCc2oc3ccccc3c2OC)cc1OC 473993435 HKJQACDSKWQQKM-UHFFFAOYSA-N 432.314 5.067 30 20 IKED C[C@H](CC(=O)c1ccccc1F)C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 474275876 PKBKRZVEEPPPEU-PXAZEXFGSA-N 449.366 5.863 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 475566313 YSPLDLPSBVQUDO-OAQYLSRUSA-N 432.486 6.163 30 20 IKED C[C@H](CNC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2)C(F)(F)F 479369588 BCAYDGDNLYZIMH-AIFZWCOZSA-N 439.362 5.423 30 20 IKED CN(C(=O)CCc1ncc(-c2ccccc2Br)o1)c1cc(Cl)ccc1C#N 479582384 UVPXUVPXRMWPHK-UHFFFAOYSA-N 444.716 5.225 30 20 IKED C[C@@H](NC(=O)N1CC2(CCOCC2)c2ccccc21)c1ccc(-c2cccc(C#N)c2)cc1 479775237 XWDOKEBXFSQXNA-HXUWFJFHSA-N 437.543 5.564 30 20 IKED CC(C)CN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H]1CCCc2cccnc21 481339857 NMJHPPVYXWQZOL-SIKLNZKXSA-N 436.625 5.307 30 20 IKED COc1cccc2[nH]cc(CC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c12 489160328 FUBUDDVVWIXHNS-HXUWFJFHSA-N 429.907 5.667 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1ccc(C)cc1 489637660 UXDDWXYZFNCULO-HNNXBMFYSA-N 448.508 5.251 30 20 IKED CCN(CCC#N)C(=O)c1ccccc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 492105868 ANCZSUPLPYIIHC-UHFFFAOYSA-N 436.364 5.100 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCc4ccc(F)c(F)c4C3)c2)cc1 494237346 KIPDXDDGDKDNCZ-UHFFFAOYSA-N 433.458 5.200 30 20 IKED C[S@@](=O)c1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1F 495329395 LMGFCQWRXDJBPE-GDLZYMKVSA-N 428.872 5.133 30 20 IKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 495713380 QFWSRKNGFPLXPL-OLZOCXBDSA-N 437.311 5.650 30 20 IKED C=CCN(CCc1ccco1)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 497646731 LPPQFWIPRLJDLX-DENIHFKCSA-N 449.517 5.122 30 20 IKED N#Cc1ccsc1C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 497991174 MQUBKWNZCKJYOI-UHFFFAOYSA-N 430.411 5.535 30 20 IKED CC(C)c1cc(C(=O)N(Cc2ccco2)c2ccccc2C#N)c2cnn(C(C)C)c2n1 501021189 NRTXDFDKWWJLMH-UHFFFAOYSA-N 427.508 5.447 30 20 IKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 502452181 SEFNLYYXYSUSHS-UHFFFAOYSA-N 436.792 5.243 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)c1 502516454 DDDIWKITPVEVCL-UHFFFAOYSA-N 431.374 5.082 30 20 IKED N#Cc1ccccc1N1CCCN(C(=O)Nc2cccc(COC3CCCCC3)c2)CC1 503257721 FZKONCZHCOPPMP-UHFFFAOYSA-N 432.568 5.152 30 20 IKED COc1cc(C(=O)N[C@@](C)(C#N)CC(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 503638708 WVGWLNFIFBNUED-OAQYLSRUSA-N 431.876 5.107 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@@H](c1ccccc1)N(C)C 505609946 KYOZYIDDVBOTAC-CLOONOSVSA-N 429.589 5.272 30 20 IKED CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=O)c1ccnc(C#N)c1 508229967 BNXSUTBPVVMWBM-JOCHJYFZSA-N 439.437 5.254 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC([C@@H](F)c2ccccc2F)CC1 511106340 HCFNORPZKJZGOT-MZNJEOGPSA-N 443.563 5.439 30 20 IKED N#CCCCn1cc(C(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)c2ccccc21 513250150 GZXDPVUURJOIEZ-HSZRJFAPSA-N 443.444 5.675 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 515284053 QIRKVSWIYPJXBH-WOJBJXKFSA-N 437.421 5.815 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H](Oc3ccccc3)c3ccccc3)s2)cc1 515287934 GRYXTGDHNOLMTO-HSZRJFAPSA-N 425.513 5.364 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cnc(-c2ccccc2)s1 518147380 AMYPIFLEXWWHJE-UHFFFAOYSA-N 433.480 6.087 30 20 IKED Cc1ccc([C@H](CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)N2CCCC2)o1 518399111 FRSCTWSWIJXORH-DEOSSOPVSA-N 429.520 5.013 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 518668656 JXJWULKLMBNAGJ-QGZVFWFLSA-N 445.523 5.306 30 20 IKED N#C[C@H](C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 518805352 GPMQGTJOIRDFBH-CQSZACIVSA-N 436.251 5.654 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)o2)cc1 519127821 QTQLWAGJQKEEEQ-UHFFFAOYSA-N 435.439 5.647 30 20 IKED COc1c(Br)cc(Cl)cc1NC(=O)CCCCOc1cccc(C#N)c1 521951116 NGECQUOQPHEYLH-UHFFFAOYSA-N 437.721 5.171 30 20 IKED Cc1cc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)n(-c2ccccn2)n1 522640297 AEGNBBMZFBJOJZ-UHFFFAOYSA-N 429.867 5.145 30 20 IKED N#C[C@@H](C(=O)c1ccc(OC2CCCCC2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 522812979 COXZAUXRBAMBGU-IBGZPJMESA-N 447.560 5.477 30 20 IKED CCN(CC)[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccco1 523222820 VLFMDAJWLKJJHJ-XMMPIXPASA-N 448.542 5.085 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCOc2ccc(Cl)c(Cl)c2)c1C 523534662 GMBJPOQFWATFIO-UHFFFAOYSA-N 429.307 5.075 30 20 IKED CCO[C@H](C)c1noc(CSc2nc(-c3ccc(C)o3)cc(C(F)(F)F)c2C#N)n1 524239081 JDGAHTZZRANIQC-LLVKDONJSA-N 438.431 5.313 30 20 IKED C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H](c2ccc(F)cc2)O1 525088653 GAFFLGDPCOZXDZ-DIFFPNOSSA-N 435.339 5.466 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 525667919 IRRGXPFWHIEEAS-XZOQPEGZSA-N 442.490 5.114 30 20 IKED Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)n1 531713405 IUILWOAXVALNTP-QHCPKHFHSA-N 430.483 5.349 30 20 IKED Cc1nnc(-c2cccc(C(=O)[C@@H](C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)c2)o1 531865894 DVHOPDJIEVFEKE-XVPJOVGPSA-N 444.560 5.459 30 20 IKED Cc1ccc(NCc2cccc(OCc3cccc(C#N)c3)c2)cc1NC(=O)C(C)(C)C 538831843 ZWPPCSXCEMMQCS-UHFFFAOYSA-N 427.548 6.042 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H](c2ccccc2)[C@H]2CCOC2)cc1OCC 538967702 BQEZLFYRMAWRGA-UGKGYDQZSA-N 446.385 5.280 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 540463033 CFOZCQIOCAPZNL-NZQKXSOJSA-N 434.948 5.623 30 20 IKED CC(C)n1nnnc1-c1ccccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 541412726 CDZKAZICXSYIGL-UHFFFAOYSA-N 438.491 5.032 30 20 IKED C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 542470845 SASNYNNSLJJVKU-OSBNRRGQSA-N 431.580 5.257 30 20 IKED Cc1ccc([C@H](NC(=O)CNc2ccccc2SC[C@@H](C)C#N)c2cccs2)cc1 553010678 VAWZAMIGONHKPM-UUOWRZLLSA-N 435.618 5.626 30 20 IKED N#Cc1c(Br)cccc1NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 558599205 XSZGWDUPJBXQKG-UHFFFAOYSA-N 437.219 5.088 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(N2CCc3cc(F)ccc32)CC1 558757500 GLSKGODHNWYBRQ-KRWDZBQOSA-N 438.572 5.136 30 20 IKED C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 559007119 GXOUCKVKQJPUMI-KRWDZBQOSA-N 437.544 5.171 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(OC4CCCC4)c(F)c3)CC2)c(F)c1 565649785 WJKIXXSCAQBNOH-UHFFFAOYSA-N 441.478 5.233 30 20 IKED N#CCCC[C@@H](NC(=O)C(=O)Nc1cccc(CSC2CCCCC2)c1)c1ccccc1 580967464 PSMUGRLHWWKMRQ-XMMPIXPASA-N 449.620 5.742 30 20 IKED C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(OCC2CC2)CC1 581620519 ZVGYVQWIDOOCTI-UHFFFAOYSA-N 433.021 5.195 30 20 IKED C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(Br)cc1F 586837333 AWVGLGFZVGDDPA-ZDUSSCGKSA-N 440.272 5.138 30 20 IKED N#CCCn1cc(CN2CCC(c3c(Cl)cccc3Cl)CC2)c(-c2ccncc2)n1 589210555 PVFAPKJXVMZUKB-UHFFFAOYSA-N 440.378 5.545 30 20 IKED CC(=O)N[C@@H](CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2)c1cccs1 590615031 HMNYMADZCUOTFX-YOEHRIQHSA-N 429.611 5.038 30 20 IKED Cc1ccccc1-n1ncc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c1C(F)(F)F 592973326 CXJBMRVCTXRAQE-ZDUSSCGKSA-N 444.413 5.438 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12 603514136 KHNRUMDOTBYHJZ-UHFFFAOYSA-N 429.470 5.576 30 20 IKED N#Cc1cccc(CNC(=O)N(Cc2ccc(-c3ccccc3C(F)(F)F)o2)C2CC2)c1 604361595 GRZRNYCIUWNWIL-UHFFFAOYSA-N 439.437 5.711 30 20 IKED C=CCn1c(SCC(=O)NC(C)(C)c2cccc(C)c2)nnc1-c1ccc(Cl)cc1 605478238 NCNJESBMRMKOFH-UHFFFAOYSA-N 441.000 5.237 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3c[nH]c4cc(Cl)ccc34)s2)cc1 608889211 AHGQWWDQDVRXTM-UHFFFAOYSA-N 425.926 5.089 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1nc(-c2ccccc2OC(F)F)cs1 609021437 AEXJMMOHOKDKNM-UHFFFAOYSA-N 447.466 6.202 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)cc2)c1 609064860 MQXHCUDRDHWSMM-UHFFFAOYSA-N 445.906 5.170 30 20 IKED COc1cccc2c1OC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)C2 609123425 KOFXPNJIMFEYJK-CTNGQTDRSA-N 447.922 5.129 30 20 IKED CCOc1ccc2cc(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)[nH]c2c1 609173052 KHGQTMHLDZFVBX-RUZDIDTESA-N 425.488 5.140 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H](c4nc5ccccc5o4)C3)c2)cc1 609209263 YVEYLPRBYCYDHF-LJQANCHMSA-N 438.487 5.903 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)n1 609322071 XGZTYHHQFBRUFR-CYBMUJFWSA-N 448.472 5.140 30 20 IKED COc1cc(Cl)c(S(=O)(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1Cl 609379137 UNPQMRGJEXOCQH-NSHDSACASA-N 431.366 5.055 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)c1 609496368 PLXAVNJUOCBAAL-UHFFFAOYSA-N 442.541 5.029 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)c1 609498172 ABYSPVCWSAOVSI-UHFFFAOYSA-N 427.476 5.072 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NCc3cccc(NC(=O)C4CCC4)c3)cc2)cc1 609499004 HKSGEAKYDDGSIQ-UHFFFAOYSA-N 439.515 5.214 30 20 IKED Cc1ccc(C(=O)N[C@H](C#N)c2ccccc2Br)cc1NC(=O)c1ccccc1 609589991 ZBLVXRPIHHVAAF-OAQYLSRUSA-N 448.320 5.005 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCCc2cccc3cccnc23)c1 609722798 IFBZFOMKKUPSFX-UHFFFAOYSA-N 427.891 5.525 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N(c3cccc([N+](=O)[O-])c3)C3CCCC3)cc2)nc1 609859307 YFCAVDQEMVRZLY-UHFFFAOYSA-N 428.448 5.243 30 20 IKED CN(CCc1cccc2ccccc12)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609944509 WWVDZQZDNCEDTC-UHFFFAOYSA-N 449.510 5.143 30 20 IKED CCn1nc(C(C)C)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 613344621 KOAZWPQEMBDYKH-AWEZNQCLSA-N 433.364 5.947 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1csc(Cc2cccc(Cl)c2)n1 615081349 ASTGTUSHNPTAPK-UHFFFAOYSA-N 426.969 5.153 30 20 IKED FC(F)Oc1ccc(Cl)cc1CNC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642338930 OVLRSLXJYMVBPZ-NXEZZACHSA-N 425.747 5.941 30 20 IKED C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC([C@@H]2CCOC2)CC1 670222571 FRCBMXUMWJXZEO-GOSISDBHSA-N 433.021 5.053 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)nnc1-c1ccco1 670476829 OMWVAPATBAXVHR-NRFANRHFSA-N 430.533 5.505 30 20 IKED O=C(Nc1ccc2c(cnn2C(F)F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 676603845 QLPDNCGTDJREOQ-IAZYJMLFSA-N 444.326 5.462 30 20 IKED C[C@H](C(=O)N[C@H](C#N)c1ccccc1Br)c1cccc(C(=O)c2ccccc2)c1 677766821 HEZVKKICYODRCQ-KSFYIVLOSA-N 447.332 5.165 30 20 IKED CC(C)(CNC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(Cl)c1F 681095193 NHGKKNCDGLJAJZ-GHMZBOCLSA-N 448.810 5.529 30 20 IKED O=C(NC1CC(F)(c2cccc(Cl)c2)C1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 684630337 WPNDTVONNPETGR-WZSRBFQBSA-N 432.767 5.049 30 20 IKED C=CC[C@@H](CC)NC(=O)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 684895504 ZSYVPHYXQDFKCP-FYYLOGMGSA-N 426.605 5.239 30 20 IKED COc1cc(C=NOCc2csc(Cc3ccc(Cl)cc3)n2)ccc1OC(F)F 725792045 SNQYGHYCUINYNM-UHFFFAOYSA-N 438.883 5.548 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1oc2ccc(Br)cc2c1C 726755372 JVJKWROGRZMTDY-UHFFFAOYSA-N 434.293 5.253 30 20 IKED FC(F)(F)c1cc(C=Nn2c(S)nnc2SCc2ccccc2)ccc1Cl 727253731 MHZRGCAVJZTEOH-UHFFFAOYSA-N 428.892 5.414 30 20 IKED Cc1cc(-n2c(C)cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)c2C)no1 728031825 DMPGPQPULAZFCX-UHFFFAOYSA-N 426.476 5.094 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)cc1 728116675 ONZJMDJYUQJEIR-VWNXMTODSA-N 449.476 6.730 30 20 IKED Cc1ccc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)c(OC[C@@H]2CCCO2)c1 728269135 ANEDKKRBBGYGIZ-QFIPXVFZSA-N 429.520 5.084 30 20 IKED Cc1sc2nc([C@H](C)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)nc(O)c2c1C 728299989 WTMQVBLGOWNPSW-AWEZNQCLSA-N 448.523 5.777 30 20 IKED N#C[C@@H](C(=O)Cc1coc(-c2cccs2)n1)c1nc2cc(C(F)(F)F)ccc2s1 730071092 FJJKRKBUHKLKMP-LBPRGKRZSA-N 433.436 5.451 30 20 IKED Cc1cc(C)c(NC(=O)/C(=C/c2cccc(OCC#N)c2)C(=O)c2ccccc2)c(Cl)c1 730151507 LQYNJICHJNVLAE-CJLVFECKSA-N 444.918 5.764 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1nc2cc(F)ccc2s1 730417858 UYBVQDHATNYXHM-FQEVSTJZSA-N 428.488 5.942 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@H]1CCc2c(OCc3ccccc3)cccc21 730427346 MXUCORBIEQNFLY-VWLOTQADSA-N 442.515 5.018 30 20 IKED CC(C)Cn1c(SCc2ccc(OCC#N)cc2)nnc1-c1ccc(Cl)cc1Cl 731156691 ZQJXKLAKCPQZIY-UHFFFAOYSA-N 447.391 6.103 30 20 IKED N#CCOc1ccc(CC(=O)Nc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)cc1 731986473 ADZDPACTDIELQS-UHFFFAOYSA-N 440.421 5.368 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)OCc3ccc(OCc4ccncc4)cc3)o2)cc1 733484926 WBSPVXMLEGBRGY-UHFFFAOYSA-N 440.455 5.061 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)c1nc2ccccc2s1 734218971 NQURGGHYOONOKJ-ZDUSSCGKSA-N 448.361 5.657 30 20 IKED COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C/C(=O)c2cncc(F)c2)cc1OC 737446027 LTQJDARTVVOIKF-CSKARUKUSA-N 443.478 5.046 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2)nn(COc2ccc3c(c2)OCCCO3)c1=S 738259134 SUGJIFRFAYRFGW-UHFFFAOYSA-N 429.929 5.118 30 20 IKED C#CCCN1CCC(NC(=O)c2oc3ccccc3c2CSc2ccccc2F)CC1 743491764 MJYIHAJTXGHBAV-UHFFFAOYSA-N 436.552 5.082 30 20 IKED CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(C#N)o2)NC(=S)N1c1ccccc1 743739052 QUCMODAYAGPHSP-NRFANRHFSA-N 448.935 5.153 30 20 IKED C/C(=C/C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1C(F)(F)F 745270987 FVPRJQVGXZGODF-KXXVWKPMSA-N 448.466 5.101 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@@H]3C[C@@H](O)c3ccc(F)cc3)c2)c1 746251638 FFJSWSWGCDEANK-AOYPEHQESA-N 444.506 5.005 30 20 IKED COc1cc(/C=C\C(=O)C2CCCCC2)ccc1OCC(=O)Nc1ccccc1Cl 747003614 JZHLUARAIJMMRE-QBFSEMIESA-N 427.928 5.529 30 20 IKED COc1cc(CCC(=O)[C@H](C#N)c2nc(C(C)C)cs2)ccc1OCC(F)(F)F 747193777 PEHHCWOEKSDZEJ-AWEZNQCLSA-N 426.460 5.025 30 20 IKED CCCOc1ccc(CC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1OCCC 747232835 DWYCXWBXXWQYPU-KRWDZBQOSA-N 426.513 5.432 30 20 IKED C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)N[C@H](CCC#N)c2ccccc2)cc1 747986616 UWOGGGJNWYOEBC-PGRDOPGGSA-N 436.556 5.117 30 20 IKED CN(C(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12)c1ccc(C#N)cc1 749150458 MWKGKDIFEJLPOG-UHFFFAOYSA-N 443.304 5.208 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(CSc3ccccn3)c2)cc1C#N 752221584 FGHSAHCXJFNTGL-UHFFFAOYSA-N 447.520 5.458 30 20 IKED N#Cc1ccccc1/C=C/C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 752304597 XBDWQWSWLRLUJN-FMIVXFBMSA-N 426.863 5.599 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)cc1C#N 752306848 ZLQIKMKILQPCLN-UHFFFAOYSA-N 446.429 5.342 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)cc1 754393822 HRXPAAPCCRQOBG-CTNGQTDRSA-N 434.586 5.499 30 20 IKED Cn1cc(CCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c2ccccc21 756233646 MOHJFKDLTAXQON-JOCHJYFZSA-N 437.499 5.251 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)cc1C 756773752 QFWFBRQYKBAAQO-RDPSFJRHSA-N 439.563 5.322 30 20 IKED C#CCOc1ccccc1-c1noc(CSc2nnc(-c3ccccc3)n2[C@H](C)CC)n1 761996610 OATYFBWTOJRNGQ-QGZVFWFLSA-N 445.548 5.270 30 20 IKED C=C(C)Cn1c(SCC(=O)OCC2CCC(C(F)(F)F)CC2)nnc1-c1ccco1 770406416 SYEAWOXBWOGYSR-UHFFFAOYSA-N 443.491 5.118 30 20 IKED N#C[C@@H](COC(=O)c1csc(-c2cc(Br)cs2)n1)Cc1cccs1 772734094 MPFIVJZWZKQGTB-JTQLQIEISA-N 439.381 5.235 30 20 IKED CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 775481733 SWWZFUCBNKUGQJ-JOCHJYFZSA-N 431.517 6.003 30 20 IKED Cc1ccc(C(C)C)c(OCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 780327619 JSXMTSYRAWYXGJ-OAQYLSRUSA-N 429.545 5.759 30 20 IKED COc1ccc(-c2nc(SCc3ccc(C)c(Br)c3)nc(O)c2C#N)cc1 782268426 FSPHEKFUZKNHCJ-UHFFFAOYSA-N 442.338 5.093 30 20 IKED Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 782277425 PNUGXJNQPAUYKU-LBPRGKRZSA-N 432.571 5.445 30 20 IKED Cc1ccnc2sc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c(C)c12 786311706 LVNOHTIKKDDVAH-SFHVURJKSA-N 441.512 5.667 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 790910832 CBTVTVYFMPKZMY-UHFFFAOYSA-N 431.536 5.154 30 20 IKED N#C[C@H](C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1nccc2ccccc12 792097381 VVSAJUGMPIHQFC-RUZDIDTESA-N 446.485 5.646 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 798065285 QGULTUFYTAZFBH-MISYRCLQSA-N 431.458 5.132 30 20 IKED CC(C)(COCc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 800386937 NUACOVUFGGYHET-INIZCTEOSA-N 426.488 5.508 30 20 IKED CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCCc3c2[nH]c2ccc(Br)cc32)c1 808707481 QBHRLIPCPRTROL-HTAPYJJXSA-N 438.369 5.779 30 20 IKED CCc1sc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1Br 815908659 HCMMWWQGDLPBPL-VIFPVBQESA-N 446.153 5.341 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)CCc1cc(C(F)(F)F)ccc1Br 816016212 KEWJPBWJOZKGEJ-GFCCVEGCSA-N 441.247 5.330 30 20 IKED Cc1sc2ncn(N=Cc3ccc(Br)s3)c(=O)c2c1-c1ccccc1 916283920 AMYIILWEVZMUET-UHFFFAOYSA-N 430.352 5.140 30 20 IKED CN(Cc1ccc(Cl)nc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 916683922 MJIOYMVQFPRZIW-LJQANCHMSA-N 425.319 5.708 30 20 IKED CC(C)(C)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 916846761 DWHIMVBZKNTWTG-LVMGUKCRSA-N 431.561 5.463 30 20 IKED C=CCN(Cc1ccccc1F)Cn1nc(-c2cccs2)n(C[C@H]2CCCO2)c1=S 918182527 SVLRHWDAMXEPQM-GOSISDBHSA-N 444.601 5.106 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)COc1ccc(OCc2ccccc2)cc1 920105550 AINMYTYPLPEKHH-QHCPKHFHSA-N 438.483 5.026 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cnn(C(C)(C)C)c4Cl)CCC3)cc2)C1 1785806975 ZGYFYUAYSWAHIR-UHFFFAOYSA-N 440.975 5.005 30 20 IKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)C[C@H]4C[C@@H]5CC[C@H]4C5)CCC3)cc2)cc1 1785882680 MIJHPJJZSLUNJH-XPWALMASSA-N 441.575 5.061 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc4ncsc4[nH]3)cc2)CCC1 1789664775 KJHJRUKGMBGDFR-GOSISDBHSA-N 434.565 5.141 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)C[C@H]4C[C@@H]5CC[C@H]4C5)CCC3)cc2)cc1 1790290055 DKCDPDURDMRVIH-BAGYTPMASA-N 427.548 5.132 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)C[C@H](C)Oc3ccccc3)cc2)CCC1 1791147241 SXTOFRASHRRCSQ-NRFANRHFSA-N 432.564 5.172 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cccc4nscc34)CCC2)cc1 1791300494 UAHNSINPFBVHMV-UHFFFAOYSA-N 441.503 5.255 30 20 IKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)ccn1 1792124638 CLXWIYHKCBVBNP-SFHVURJKSA-N 438.531 5.079 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2Cl)[C@@H]1c1cccnc1 1802494099 BTWQKEPOYLBETB-DENIHFKCSA-N 439.987 5.047 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)C1 1804862620 XILSXJUHRCXRAI-VAWYXSNFSA-N 448.607 5.670 30 20 IKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](C)Sc3ccccc3)C2)CC1 1805849539 YPBHDBXNRVULTA-OAQYLSRUSA-N 440.653 5.167 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)[nH]n1 1819556587 GNBLZCYMVXMUIY-RCLSDMTESA-N 426.605 5.221 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3nscc23)n[nH]1 1821519641 DLOPNQKYJDTGPU-KKSFZXQISA-N 449.580 5.094 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(C(C)(C)C)cc2)c(C)c1 10168762 QXBLJVCXUVUIQP-UHFFFAOYSA-O 445.652 6.556 30 20 IKED N#CCC[C@H](C#N)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1 15244843 XBUOIGJEIYDXDD-CYBMUJFWSA-N 445.426 5.488 30 20 IKED C[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1Br)c1ccc(C#N)cc1 26121887 GOODIMLEPQBBFW-HNNXBMFYSA-N 448.320 5.064 30 20 IKED CCOC(=O)CSc1nnc(/N=C(\O)c2sc3cccc(Cl)c3c2Cl)s1 31908600 YGJKIECOGFPRNA-UHFFFAOYSA-N 448.378 5.351 30 20 IKED CC(C)C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1nc2ccccc2[nH]1 59363681 OXCIPJLYJSLYHQ-NRFANRHFSA-N 428.492 5.124 30 20 IKED C=CCN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 64380218 PKEDETGFLFXNHI-RBUKOAKNSA-N 439.924 5.694 30 20 IKED N#CCCn1cc(-c2csc([C@H]3CN(Cc4ccccc4)CCO3)n2)c2ccccc21 72087694 CXDDANZRLHUBMN-XMMPIXPASA-N 428.561 5.252 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(SC(F)F)cc2)nnc1-c1cccs1 216428867 ZGGQLJMVJFRHOI-UHFFFAOYSA-N 438.550 5.238 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl 303545191 UUVZXBHOUZFUCD-CQSZACIVSA-N 425.847 5.253 30 20 IKED C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)Nc1ncccc1OCCCC#N 426698625 ZWSGZWNGCQQCLR-AWEZNQCLSA-N 426.929 5.085 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N(C[C@H]3CCCO3)C3CCCC3)c2)cc1 429107647 QUZPPXGCLKZGOS-RUZDIDTESA-N 433.552 5.287 30 20 IKED Cc1noc(C[C@@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c2ccccc2)n1 429752690 AKVQCMYQRLIRMM-HSZRJFAPSA-N 439.475 5.148 30 20 IKED Cc1nc(CSc2ccc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)cc2)cs1 430592187 LXKHLDCVKKVOLJ-QGZVFWFLSA-N 427.620 5.988 30 20 IKED Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 431701074 ZYYSLWZLDDIUNE-OAQYLSRUSA-N 438.314 5.018 30 20 IKED N#C[C@@H](C(=O)c1ccc(Br)cc1[N+](=O)[O-])c1nc2cc(Cl)ccc2s1 432221768 QXFFYDVPCYRFAO-NSHDSACASA-N 436.674 5.110 30 20 IKED COc1ccccc1-c1noc(C2CCN(c3ccc(C(F)(F)F)cc3C#N)CC2)n1 432850049 CZWGTDXKAVNQQS-UHFFFAOYSA-N 428.414 5.020 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 432922463 NRHVCVUXRFTFBM-HSZRJFAPSA-N 446.938 6.149 30 20 IKED N#CCCC[C@H](NC(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1)c1ccccc1 432985842 SNNNIDUUGRSCPG-IBGZPJMESA-N 435.915 5.824 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC2(CCN(Cc3ccccc3)CC2)C1 433126397 OLBDDMXHDSHFAM-NRFANRHFSA-N 448.636 5.458 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2 433861641 DIAIMBPXCYJLBG-WDXRGRCHSA-N 428.454 5.833 30 20 IKED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 436337159 WMXCZQKYNIBJMH-DJJJIMSYSA-N 439.409 5.135 30 20 IKED Cc1ccc2nc(CSCC(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)cn2c1 437467118 MCXSZOJWKAWQPD-UHFFFAOYSA-N 446.507 5.318 30 20 IKED CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 437958151 SPKISNZPTOFPFB-IEBWSBKVSA-N 428.330 5.151 30 20 IKED N#CC1CCC(CNC(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)CC1 440939393 VRCQNCJELUZXLF-UHFFFAOYSA-N 429.318 5.088 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)c1nc2ccccc2n1C(F)F 444669478 DBZHSIIITCNNEE-HUUCEWRRSA-N 443.523 5.115 30 20 IKED C=CCCCN(C)C(=O)C(=O)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1 445107634 UNVAZDBKZZQXJQ-UHFFFAOYSA-N 429.929 5.105 30 20 IKED C[C@@H](C#N)CSc1ccccc1NCC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 446622836 GIIPKHTYCVAADE-RDPSFJRHSA-N 441.600 5.525 30 20 IKED CN(C)CCN(Cc1ccco1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 446841323 OKLYFERDRRXQJX-QFIPXVFZSA-N 436.943 5.184 30 20 IKED CC(=O)c1cc(F)c(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c(F)c1F 461107244 JHKDFDRMGHHBCR-UHFFFAOYSA-N 444.796 5.876 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H](Cc1ccccc1C(F)(F)F)C(C)(C)C 461263948 NJDFIHMZQOZQFT-HXUWFJFHSA-N 447.501 5.001 30 20 IKED N#Cc1cnc2ccc(Cl)cc2c1N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 462806063 UZNFPJLHTTUDPW-NRFANRHFSA-N 437.330 5.366 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 463712759 PGXXJZPPZAGQNJ-ZEQRLZLVSA-N 425.536 5.190 30 20 IKED CC(C)Oc1cc(Br)ccc1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 464422373 VRKAXENBPJMSJV-AWEZNQCLSA-N 427.220 5.140 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cncc(-c4ccc(Cl)cc4)c3)n2)cc1 467073033 PMEJTPDTCGIIQW-OAQYLSRUSA-N 440.915 5.887 30 20 IKED N#C[C@H](NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1Cl 468997907 NMYGWHBDKJZIGQ-KRWDZBQOSA-N 449.725 5.401 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)CCCCc3nc4ccccc4s3)ccc21 469974649 SSPCPCOUIVPJCL-UHFFFAOYSA-N 446.576 5.231 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@@H](c3ccccc3)C3CCCC3)ccc21 470538176 OJVPTZBZZWRIGT-VWLOTQADSA-N 430.552 5.323 30 20 IKED N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(Oc3cccc(F)c3)c3ccncc23)cc1 470900048 LBXXKAURHOKXLZ-LJQANCHMSA-N 436.446 5.359 30 20 IKED N#Cc1c(NC(=O)c2ccc3nc(C(F)(F)F)cn3c2)sc2c1-c1ccccc1CC2 471729283 WUTXTIQOCRXYTB-UHFFFAOYSA-N 438.434 5.304 30 20 IKED C[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccc(NC(=O)Nc2ccccc2)cc1 474913338 MVKRSPJGRBBJPJ-SFHVURJKSA-N 426.520 5.623 30 20 IKED C[C@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 475027036 FGLAOUDHQUSMSC-PGRDOPGGSA-N 429.495 5.343 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 475583590 QREQJHMDTBTRCJ-UHFFFAOYSA-N 443.950 5.321 30 20 IKED Cn1cc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c(-c2ccc(Cl)s2)n1 475822524 VJUYJNMKBPCMAO-GFCCVEGCSA-N 425.728 5.103 30 20 IKED N#CC[C@@H](CC(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1)c1ccccc1 476687879 KPKHZNNUDQLUKF-FUHWJXTLSA-N 439.275 5.646 30 20 IKED COc1cc(C[S@](=O)CCc2ccccc2Cl)ccc1OCc1cccc(C#N)c1 476878378 FFHQHDHTCMEXLK-SSEXGKCCSA-N 439.964 5.291 30 20 IKED C=CCn1c(COc2ccccc2)nnc1SCc1cn2cc(Cl)cc(Cl)c2n1 481336320 BBYSQCMIDPIVGK-UHFFFAOYSA-N 446.363 5.290 30 20 IKED C[C@H](NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)c1ccc(Cl)c2ccccc12 483622318 NZYJRGVUGKYKLI-CABCVRRESA-N 441.940 5.062 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](c2cnn(C)c2)C(C)(C)C)cc1 483668205 KLFXUNRYNBJXRX-JOCHJYFZSA-N 433.512 5.002 30 20 IKED COc1cccc(Cl)c1-c1noc(C)c1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 483992942 IDUAQVCXYWVILN-OAHLLOKOSA-N 449.816 5.326 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(NC(C)=O)ccc2Cl)cc1 487360488 RFPGAMNODPEVEW-UHFFFAOYSA-N 435.867 5.223 30 20 IKED CCc1ccccc1N(C(C)=O)c1nc(COc2c(C#N)cnc3ccc(C)cc23)cs1 488293544 JMEJWVIWZBXYPS-UHFFFAOYSA-N 442.544 5.697 30 20 IKED COc1ccc(CCN(Cc2ccsc2)C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1OC 489319008 WGRDXBXQMYXSJG-GOSISDBHSA-N 449.576 5.152 30 20 IKED C=C(C)Cn1c(S[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nnc1-c1ccncc1 489422922 GDRYMGFJFASUHF-IRXDYDNUSA-N 447.564 5.020 30 20 IKED C=CCN(CCc1ccco1)C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 497511043 VYIFGVMYSQVROV-UHFFFAOYSA-N 435.471 5.362 30 20 IKED C[C@@H](NCCCC1(C#N)CCOCC1)c1nc(-c2ccc(Br)cc2)cs1 499626986 RLTGWKWNUCVAMZ-OAHLLOKOSA-N 434.403 5.324 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C 501629554 PZGDUWRQHZJIAL-MRXNPFEDSA-N 435.549 5.035 30 20 IKED CCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)[C@@H]1CCSc2ccc(Br)cc21 504641299 DDZUFMVAXLZAPY-AUUYWEPGSA-N 445.382 5.174 30 20 IKED C=CCCc1ccccc1NC(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 505011693 ZBDOVHAUCUGHDG-QFQXNSOFSA-N 428.536 5.441 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCc2ccn(-c3ccccc3)n2)cc1 505738958 ZWWGKHWFOGPWRO-UHFFFAOYSA-N 438.556 5.009 30 20 IKED Cc1noc(C)c1COc1ccc(CC(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)cc1 505835170 VTJFAPWGFKVCMJ-XMMPIXPASA-N 431.536 5.092 30 20 IKED N#Cc1ccc(Cl)c(C(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)c1 506358590 WTUBMZCFUHJLND-UHFFFAOYSA-N 442.277 5.186 30 20 IKED C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCO[C@H](c2ccsc2)C1 508843307 CAMNDUMDCMPXQW-MBSDFSHPSA-N 446.576 5.397 30 20 IKED C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)Cc1cnc(C(C)C)nc1 508910267 BDVBWOMWYHMKPX-UHFFFAOYSA-N 445.596 5.113 30 20 IKED CCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C)[C@H](C)c1ccc(C#N)cc1 509575910 RMQBCENPDZRABT-LJQANCHMSA-N 437.547 5.774 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cccc(NC(=O)c3cccs3)c2)cc1 510944985 PMRVVHJAEOVNRJ-UHFFFAOYSA-N 443.450 5.077 30 20 IKED C=CCOc1cccc(NC(=O)N(C)Cc2ccc(OCc3ccccc3)c(OC)c2)c1 510986188 UJVZMTUNVLCSDS-UHFFFAOYSA-N 432.520 5.503 30 20 IKED CN(Cc1c(F)cccc1Cl)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511343611 UUGCYQZZWGPXQP-UHFFFAOYSA-N 437.902 5.788 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccn(-c4cccc(Cl)c4)n3)n2)cc1 512499497 PASLDFSJZFKJMW-SFHVURJKSA-N 434.908 5.148 30 20 IKED C=CCn1c(S[C@@H](C)c2nnc(C)o2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 513242335 QLWDUXRNTIZUPD-LBPRGKRZSA-N 442.541 5.303 30 20 IKED CCc1ccc(C(=O)CCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 515577512 ZFLAJXBJXRGKFO-UHFFFAOYSA-N 426.516 5.496 30 20 IKED Cc1cccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c1NC(=O)c1ccccc1F 516074831 DQSRWJUFYHJDIS-KRWDZBQOSA-N 441.384 5.290 30 20 IKED Cc1nc(SCC(=O)Nc2cc(C#N)ccc2OC(C)C)c2c(C)c(C)sc2n1 516627746 DSLVOSKSOWSFTJ-UHFFFAOYSA-N 426.567 5.006 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1csc(C2CCCCC2)n1 518148095 YSYHHRKHMMRJEO-MRXNPFEDSA-N 445.679 6.314 30 20 IKED C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 520369341 RIMROHDORCFLCF-UHFFFAOYSA-N 441.535 5.123 30 20 IKED C=CCOc1c(Br)cc(CNC2(c3nc(C)cs3)CCC2)cc1OCC 521833995 POVMTIQPIOJPSM-UHFFFAOYSA-N 437.403 5.347 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)c1ncc(-c2ccccc2)o1 522864616 OPONVXYDTBZRJM-MRXNPFEDSA-N 436.512 5.691 30 20 IKED CCN(C)Cc1cccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 523942236 AVFKAKIJQZRALU-UHFFFAOYSA-N 444.554 5.061 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 524392684 YLUHAWBAGHCJJH-INIZCTEOSA-N 443.528 5.131 30 20 IKED O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1ccn(-c2cccc(C(F)(F)F)c2)n1 531453569 KBGVQRYORJSJJJ-UHFFFAOYSA-N 447.310 5.224 30 20 IKED C[C@H](Nc1ccc(CS(C)(=O)=O)c(F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 531836538 LKCNCGGMYUVFME-JTQLQIEISA-N 443.384 5.581 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 539134758 FYCGDIANJUQBBA-UHFFFAOYSA-N 443.469 5.092 30 20 IKED N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 540521209 QZMHMIYPLCJYQL-INIZCTEOSA-N 435.755 5.062 30 20 IKED Cc1nn(C(F)F)c(C)c1CC(=O)N(C)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 542180647 FHOKBXNVWHMBRZ-OAHLLOKOSA-N 443.338 5.218 30 20 IKED N#Cc1ccc(-n2ccc(NC(=O)c3ccc(OC4CCC4)cc3Cl)n2)c(Cl)c1 542965727 CALHDEHQIMVHSL-UHFFFAOYSA-N 427.291 5.234 30 20 IKED CCc1ccc([C@@H](C#N)NC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 554790316 OHRKERKIXCCXLE-HSZRJFAPSA-N 437.499 5.171 30 20 IKED CCc1ccc([C@H](C#N)NC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 554790317 OHRKERKIXCCXLE-QHCPKHFHSA-N 437.499 5.171 30 20 IKED O=C(Nc1ccc(F)c(N2CCCNC2=O)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 561650610 IUJFLGLGDGKXQK-UHFFFAOYSA-N 449.326 5.035 30 20 IKED C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H]([C@H]2CCOC2)C1 573546314 YIKDVEWDYBEOIW-MSOLQXFVSA-N 433.021 5.053 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 576626234 DHHZZGCXEXQUCI-UHFFFAOYSA-N 430.512 5.133 30 20 IKED CC1(C)CN(CC2CN(C(=O)C[C@@H](CC#N)c3ccccc3)C2)c2cc(C3CC3)ccc21 580451541 HDZSZBNTDILVQQ-XMMPIXPASA-N 427.592 5.208 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4c(F)cccc4F)n3)n2)cc1 587988830 VPUZRBBJQZDUCG-AWEZNQCLSA-N 437.496 6.010 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)ccc1OC(C)C 603689254 FELPCSXKEGMQMS-KRWDZBQOSA-N 446.507 5.424 30 20 IKED COCc1ccccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 603757565 AUJWFTWXXRPCCG-UHFFFAOYSA-N 431.439 5.023 30 20 IKED Cc1nc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)sc1SCC#N 603775622 YPMOTCYVNSVLAT-UHFFFAOYSA-N 431.974 5.282 30 20 IKED N#CCSc1ccccc1NC(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCC2 603818471 NGFBSDVPFGCCPY-UHFFFAOYSA-N 446.557 5.048 30 20 IKED CCc1c(C)sc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)c1C#N 609032601 SWGWNIIYLAOLTN-UHFFFAOYSA-N 444.482 5.825 30 20 IKED C[C@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)C(C)(C)c1ccccc1 609078245 SGBJAJVMPBYCSF-HNNXBMFYSA-N 437.594 5.190 30 20 IKED COc1ccc(CCNC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC(F)F 609438651 NDVJCSGJUDTVSI-CQSZACIVSA-N 435.496 5.055 30 20 IKED N#Cc1c(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)sc2c1CCCC2 609563139 TUCQMXIXFLYLGG-SFHVURJKSA-N 443.572 5.143 30 20 IKED CCN(C(=O)c1cc2ccccc2n1CC#N)[C@H](c1cccnc1)c1ccc(F)cc1F 609577568 UMABQITTXLLXCA-XMMPIXPASA-N 430.458 5.090 30 20 IKED CC(C)c1nc(-c2ccccc2NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)n[nH]1 609660429 NHHDPFFQDKNYBI-UHFFFAOYSA-N 437.503 5.298 30 20 IKED Cc1ccccc1CN(Cc1ccccn1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 609662076 MWKYKSHFLYZYQJ-UHFFFAOYSA-N 447.538 5.683 30 20 IKED Cc1ccc(OC2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)CC2)cc1 609743982 VZJXJLIRUDFRJB-UHFFFAOYSA-N 428.492 5.129 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)cc1 609754454 YLTCSKXAJRFHKC-UHFFFAOYSA-N 435.574 5.532 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)c1ccccc1-c1ccc(Cl)cc1 610103737 BMIHWDHIUSSYDL-INIZCTEOSA-N 447.922 5.093 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3C(=O)c3ccc(F)cc3)n2)cc1 613318293 VMHMAQHXBYWQNX-QFIPXVFZSA-N 440.499 5.979 30 20 IKED C=CCc1cc(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cc(OC)c1OC 616352619 ZZKXIGFDJRXXJY-UHFFFAOYSA-N 429.822 5.279 30 20 IKED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 618846949 COSXKSCLCSEOEG-JTHBVZDNSA-N 429.499 5.012 30 20 IKED N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F 619466121 UJHVPILVBQRLML-MOPGFXCFSA-N 439.275 5.040 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1SCc1csc(-c2ccc(OC)cc2)n1 642252183 UJGJUVGJMWJCEE-UHFFFAOYSA-N 434.590 5.479 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2cccc(C#Cc3cccs3)c2)cc(OC)c1OC 642523442 ODBMEOOOWTYJJK-MRXNPFEDSA-N 436.533 5.056 30 20 IKED O=C(N[C@H]1CCC(F)(F)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 675688762 HIZMEHXHRZUVSV-YCSGEZEESA-N 433.383 5.413 30 20 IKED C[C@@H](N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ncc(Br)cc1F 681739610 MZKZZDDRDUNAMV-REIXXSIJSA-N 437.197 5.543 30 20 IKED Clc1ccc(-c2nn(Cc3ccccc3)cc2C=Nn2cnnc2-c2ccccc2)cc1 725855862 IAXZWICZTUOOHU-UHFFFAOYSA-N 438.922 5.393 30 20 IKED N#Cc1ccc(NC(=S)Nc2ccc(N3CCc4sccc4C3)nc2)cc1Cl 726459662 REEHNKZDLYSMMM-UHFFFAOYSA-N 425.970 5.040 30 20 IKED CCCCC[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 728145718 IMLLJWQCAZQXAU-UIOOFZCWSA-N 439.559 5.718 30 20 IKED CCSc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 729064865 LSDQMTCSVFQEON-UUOWRZLLSA-N 443.572 5.270 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c1 729889364 ODGOHKIRMSWEMD-GFCCVEGCSA-N 437.735 6.131 30 20 IKED COc1ccccc1C/C(C)=C\C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 730218026 DZROEHYOJDWVOK-CRMANMIKSA-N 426.516 5.144 30 20 IKED COc1ccccc1C[C@@H](C)CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 730686973 KRLJWEBZTZWRNK-DENIHFKCSA-N 442.515 5.404 30 20 IKED C[C@@H](CC#N)Sc1ccccc1N/C=C1/C(=O)N(c2ccccn2)C(=O)c2ccccc21 731339412 VRWUEELUEUOYPX-BJMRFWQKSA-N 440.528 5.116 30 20 IKED CCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H](C)Cc1ccc(OC)cc1 731398230 DOJXTSLBQQFMTN-IBVKSMDESA-N 427.548 5.836 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccsc2NC(=O)c2ccco2)cc1 731471596 RVSIJZSABBSFQS-FQEVSTJZSA-N 427.485 5.501 30 20 IKED COc1ccc(C(=O)/C=C/c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1Br 733083791 QPQOJJMLORWTGT-VOTSOKGWSA-N 445.294 5.386 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)ccc1OC 733621590 GEWGIRQDTCIIPC-HXUWFJFHSA-N 446.507 5.194 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2oc3ccc(Br)cc3c2C)c1 733775477 WQCWBKWGZKEANG-MRXNPFEDSA-N 427.298 5.115 30 20 IKED COC(=O)c1c(NC(=O)c2ccc(C#N)nc2)sc(C)c1-c1ccc(Cl)cc1Cl 734316647 ADJUJOGAUSEQCI-UHFFFAOYSA-N 446.315 5.336 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Cc2cc(-c3ccccc3)on2)cc1 735878817 LZVQNRUKGQELPM-UHFFFAOYSA-N 425.463 5.124 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(N3CCOC3=O)ccc2F)cc1Cl 741535607 ACJRVDFNIGUURT-FQEVSTJZSA-N 449.869 5.343 30 20 IKED C=CCOc1ccc(OC(=O)CCc2ncc(-c3ccccc3Br)o2)cc1 742864772 XCDRDJCWKOYUBP-UHFFFAOYSA-N 428.282 5.207 30 20 IKED FC(F)(F)c1ccc(-c2ccc(C=Nn3c(S)nnc3[C@H]3CCCCO3)s2)cc1 743451211 AWBGWOADQPBIPQ-OAHLLOKOSA-N 438.500 5.438 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)c1 744493295 ZUVMWFQWLIZJHC-UHFFFAOYSA-N 441.287 5.003 30 20 IKED C[C@H](OC(=O)c1ccccc1-c1ccccc1C#N)C(=O)Nc1ccc(N2CCCC2)cc1 744516532 RBFAWWHRQJIJSL-IBGZPJMESA-N 439.515 5.009 30 20 IKED N#CCOc1ccc(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)cc1 744844700 UEVHOJBHFSWZPL-HYARGMPZSA-N 448.400 5.335 30 20 IKED C#Cc1cccc(N(Cc2ccco2)C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)c1 746245104 HPYSBYKHMSGSSC-UHFFFAOYSA-N 431.879 5.130 30 20 IKED CCN(CC)c1ccc(-c2nn(CN3CCC(C#N)CC3)c(=S)n2-c2ccccc2)cc1 747078916 MAVUDBUWDGBKNA-UHFFFAOYSA-N 446.624 5.110 30 20 IKED CCN([C@@H](c1ccc(C(C)C)cc1)c1cccnc1)S(=O)(=O)c1cccc(F)c1C#N 751493478 JMWITZGQPRYPSM-DEOSSOPVSA-N 437.540 5.016 30 20 IKED CCOc1cc(/C=C\C(=O)c2coc(C(C)C)n2)ccc1OCC(=O)Nc1ccccc1 752888643 NPAVGEJGCQNZLD-BENRWUELSA-N 434.492 5.110 30 20 IKED N#CCCn1cc(C(=O)CN(Cc2ccccc2)C[C@H](O)c2ccsc2)c2ccccc21 756904486 FOAHOLCOFZVMQE-VWLOTQADSA-N 443.572 5.035 30 20 IKED CCOc1cc(/C=C/C(=O)c2cc(OC)c(OC)cc2F)ccc1OCC(F)(F)F 760262493 AMRYIOMEUWKOCU-FNORWQNLSA-N 428.378 5.079 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN(Cc2ccc(C#N)cc2)CC(C)C)c1=S 764938854 DEGZNNGEPOZDMH-UHFFFAOYSA-N 432.597 5.040 30 20 IKED C=CCn1c(-c2cccs2)nn(CN2CCO[C@@H](c3ccccc3Cl)C2)c1=S 764971109 QIWZKVBCPQZHAT-QGZVFWFLSA-N 433.002 5.013 30 20 IKED C=CC[C@@H](N[C@H]1CCCc2nc(-c3ccccc3Br)sc21)c1ccncc1 766022894 YOKKSSSTWTYBCG-MOPGFXCFSA-N 440.410 6.252 30 20 IKED FC(F)(F)Oc1ccccc1C=Nn1c(S)nnc1Cc1cccc2ccccc12 767033339 NOWVNSAGTKHBFT-UHFFFAOYSA-N 428.439 5.092 30 20 IKED COc1cccc(C(=O)/C(=C/c2nc3ccc(Br)cc3s2)c2ncc[nH]2)c1 773141277 XLIRBPBHCXPRCF-PTNGSMBKSA-N 440.322 5.214 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2sc(-c3ccccc3C)nc2C)ccc1OC 773818939 AGGUKJIMEOISAI-GOSISDBHSA-N 435.549 5.047 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 780153592 WMEOLQWAEJAXDK-LLVKDONJSA-N 432.320 5.033 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 780669836 MDKRFDBHROUYST-OAHLLOKOSA-N 447.366 5.070 30 20 IKED CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc2cnccc2c1)C(=O)c1ccccc1 782315884 ZAAGESHRAKZRJD-NLRVBDNBSA-N 434.539 6.265 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H]2CCCc3c(Br)cccc32)ccc1OC 783520555 AOQXOFMMUOKALU-OXQOHEQNSA-N 429.358 5.306 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 783656841 SFWCXSVVAQKNQX-UHFFFAOYSA-N 442.563 5.297 30 20 IKED CC(=O)N(C)c1ccc(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 786319336 QCPDLDUULKHJQQ-HJFDCUHHSA-N 433.577 5.084 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 789460263 RSONVJQZEMNJSE-WCRBZPEASA-N 441.616 5.933 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 789460782 VVXFEYKGRDHXPS-XMMPIXPASA-N 434.605 6.368 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)nc1 791583101 GTYFETRFZKPLEO-UHFFFAOYSA-N 444.491 5.274 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 802042989 NKTSXWBAGHROJE-GUYCJALGSA-N 442.796 5.034 30 20 IKED C[C@H](OC(=O)c1cc(C#N)ccc1Cl)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 803832343 ARQBNIKJHPUMSW-QMMMGPOBSA-N 432.090 5.356 30 20 IKED CC1(C(=O)OC[C@@H]2CCO[C@H]2c2ccccc2)CCN(c2ccc(Cl)cc2C#N)CC1 805920995 WSXGKQUWFJPHJD-CVDCTZTESA-N 438.955 5.139 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1 806200768 MOUXWFIBGSZLOE-CYSDGLOUSA-N 443.572 5.375 30 20 IKED CC(C)(C)OC(=O)Nc1ccccc1CC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 810821667 LNVSQPPTEAJGMH-UHFFFAOYSA-N 444.491 5.274 30 20 IKED COc1cc(C#N)cc(Cl)c1OC(=O)c1sc2nc(C(F)(F)F)ccc2c1C 914604846 XUUALBLAZRSWKH-UHFFFAOYSA-N 426.803 5.376 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 915351791 GJGOWJWFPFWMIU-XZOQPEGZSA-N 430.577 5.362 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 915353119 LHIFWDCZDBUOKQ-GGAORHGYSA-N 436.515 5.895 30 20 IKED N#C[C@@H](C(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)c1ccccc1 916622584 AXHUHTDSKGAEMH-HXUWFJFHSA-N 445.931 5.008 30 20 IKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)[C@H](C#N)c1ccc2ccccc2n1 916848094 ASZXTLXRTVKAQQ-LJQANCHMSA-N 449.341 5.763 30 20 IKED C[C@@H](Oc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cn1)c1ccccc1 916918206 KCXTVKWXODQFCH-JPYJTQIMSA-N 435.483 5.336 30 20 IKED C=CCn1c(SC[C@H](O)c2cccc(C(F)(F)F)c2)nc2cc(Cl)ccc2c1=O 916974588 NAOZAUYUAGEYRT-KRWDZBQOSA-N 440.874 5.080 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(C(=O)O)s2)cs1 917560204 SJRVZFYUUPGJLL-QPJJXVBHSA-N 432.910 5.137 30 20 IKED Cc1ccc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2sc3ccccc3c2C)c1 917612297 OOXCSIHDUHWNIA-UHFFFAOYSA-O 442.589 6.001 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)cc1 918349463 URACTYWZHPYETM-UHFFFAOYSA-N 449.526 5.981 30 20 IKED C[C@H](OC(=O)c1cc(F)c(F)c(F)c1F)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 919217521 IUFWNQIEQISXRJ-LURJTMIESA-N 443.702 5.099 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 920105415 GDRRMCHVQBTFHJ-SFHVURJKSA-N 431.879 5.309 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc5ccc(Cl)cc5[nH]4)cc3)CCC2)C1 1785791079 YXORDTKFVMEVSJ-UHFFFAOYSA-N 433.939 5.535 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4nccc-4c3Cl)cc2)CCC1 1788480350 SQZDQEKMIDRZOK-HNNXBMFYSA-N 436.943 5.128 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(F)(F)F)c[nH]3)CCC2)cc1 1789454458 ZDKIQQRKXLLZKZ-LJQANCHMSA-N 445.485 5.550 30 20 IKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)/C=C/C3CCCCC3)CCC2)cc1 1790565797 DGGHVNZSEAQPLM-XATQLNLPSA-N 425.573 5.058 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2cccc(Cl)c2)CC1 1797668722 KBTFXSOGIQLTOE-WKCHPHFGSA-N 429.004 5.002 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(F)cc(Cl)cc1Cl 1800576873 INZHKYWCQXIJKQ-YVSFHVDLSA-N 439.358 5.153 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1c[nH]c2cc(C)ccc12 1804520014 ABOIFVMLVAKAIQ-NQRWQOJGSA-N 433.596 5.120 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)C[C@H](C)Oc3ccccc3)CC2)C1 1804866731 MFBQSZRJCAJVOI-QFIPXVFZSA-N 440.628 5.068 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)CCCCC)[C@H]1c1cccnc1 1810181528 IMMQBRBUFNBKLZ-XGAJZPNHSA-N 425.617 5.072 30 20 IKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1 1810499575 DKLGUHGJKIEROB-XUZZJYLKSA-N 445.563 5.140 30 20 IKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 1824541555 FMRANMKKCMQIEF-ADHNFCLRSA-N 436.706 5.023 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccsc2)CC1 1828825414 VSIVHJGLMXQLDD-PKTZIBPZSA-N 428.642 5.069 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2cccc(CO)c2)c(C)s1 11127609 ZARQVHFJUIDKHJ-UHFFFAOYSA-O 447.605 5.349 30 20 IKED C=CCNC(=O)c1ccccc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 21474511 JSUJDBZGPWFFNY-UHFFFAOYSA-N 444.318 5.136 30 20 IKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 58745212 YVRQWDNWRFPGKR-UHFFFAOYSA-N 445.910 5.235 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 71934053 OBJDVMUMXXADMQ-OAQYLSRUSA-N 430.529 5.520 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 195633914 UTJKPLLRRLVZCC-UHFFFAOYSA-N 427.382 5.415 30 20 IKED COc1ccc([C@@H]2CCCCCN2C(=O)CSc2nc3c(cc2C#N)CCCC3)cc1 302930072 CQVFKYOXYKTGOZ-QHCPKHFHSA-N 435.593 5.077 30 20 IKED CCc1ccc(-n2nc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c3c2CCC3)cc1 303251583 CEAAMPJEPMEFBS-KRWDZBQOSA-N 430.577 5.427 30 20 IKED C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)o1 409831708 NCCDCEXMKABAFM-WIQPIVSASA-N 426.516 5.790 30 20 IKED CCn1ncc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1-c1ccccc1 427249965 MNMXAXUWDNQDIL-UHFFFAOYSA-N 436.515 5.467 30 20 IKED N#CCCN(CC1CC1)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 429098060 JPEVQQMUQNAWKS-UHFFFAOYSA-N 430.430 5.115 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3cccc(F)c3Br)c2)cc1 431828638 RXOKFBDKZIETRO-UHFFFAOYSA-N 439.284 5.486 30 20 IKED CC(C)[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1cccc(C(F)(F)F)c1 432491526 WDRQDDQNUIYSFR-JOCHJYFZSA-N 431.458 5.199 30 20 IKED C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1Cc1cn(CCC#N)nc1-c1ccncc1 435136636 FQNAUJVPPVAJSE-DFHRPNOPSA-N 447.586 5.437 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 435764144 XNNQZANYALDJCD-DYESRHJHSA-N 425.319 5.091 30 20 IKED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 436342704 VFMBERSTEGJBKD-UZLBHIALSA-N 447.457 5.060 30 20 IKED C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1C 436382810 KLVDLSIQLHLPKX-LAUBAEHRSA-N 427.932 5.003 30 20 IKED COC[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C1 438514965 OKZVTJOSWAGUFW-HNNXBMFYSA-N 433.430 5.260 30 20 IKED Cn1cc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C(F)(F)F)n1 439305939 RSKGYTRQECXMOC-KRWDZBQOSA-N 447.848 5.069 30 20 IKED CCCc1c(NC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cnn1-c1cccc(C#N)c1 439672584 KIVFMXUFIZZLCL-INIZCTEOSA-N 444.564 5.531 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(-n2cccn2)cc1 440601717 LBLZSWCHUCVDPR-LJQANCHMSA-N 438.556 5.527 30 20 IKED C=CCC[C@@H](NC(=O)Nc1ccc2c(c1)NC(=O)CS2)c1ccc(C(F)(F)F)cc1 442224445 HWEBZLLIFJUZTQ-MRXNPFEDSA-N 435.471 5.579 30 20 IKED C=CC[C@H]1N(C(=O)CCSCc2nc(O)c3c4c(sc3n2)CCC4)CCCC1(C)C 444645888 QOJKJCSWSDUQKU-QGZVFWFLSA-N 445.654 5.102 30 20 IKED COCCN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc(C#N)cc1 460358455 LLCAOVDZYFOOKX-UHFFFAOYSA-N 431.879 5.169 30 20 IKED C=CCN(Cc1cccs1)C(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 466125526 UOACXYMVDSEFEW-UHFFFAOYSA-N 447.482 5.852 30 20 IKED C[C@H](O)C[C@@H](CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccccc1 469056384 QZKKRUUEUBLBHI-PXNSSMCTSA-N 434.923 5.288 30 20 IKED CC[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C1CCOCC1 472737573 KFAXODFCFRXRIG-OAQYLSRUSA-N 427.932 5.117 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2ccccc2Br)nnc1-c1cccs1 473799347 SAFGESHGAOSERX-GFCCVEGCSA-N 434.384 5.319 30 20 IKED COc1ccc([C@H](CNC(=O)C[C@H](CC#N)c2ccccc2)c2c[nH]c3ccccc23)cc1 474425261 HHQHXNKHJDHRDX-DHLKQENFSA-N 437.543 5.512 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 475556212 PKZFBTFRXMQDGW-HSZRJFAPSA-N 444.579 6.738 30 20 IKED Cc1sc([C@@H](C)NC(=O)CSc2ccc(C#N)cc2)nc1-c1ccc(Cl)cc1 479212629 SGTRKXSEUFEWKP-CYBMUJFWSA-N 427.982 5.613 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(Cc2ccccc2Cl)CC1 483327218 SEZVLBMTTMSQMY-KRWDZBQOSA-N 428.989 5.084 30 20 IKED CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)Nc1cc(F)c(OC(F)F)cc1F 483525320 AOEGCKMGIZUYFV-UHFFFAOYSA-N 440.315 5.171 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H](C)Oc1ccccc1Br 483625775 NMSFBEJMYIMMER-GJZGRUSLSA-N 448.386 5.290 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 484548639 AASFWRSTGOENOR-QGZVFWFLSA-N 432.833 5.106 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3cc(Cl)c(Cl)cc3F)CC2)c(F)c1 484568677 OLEAHVZWPIINTH-UHFFFAOYSA-N 426.250 5.219 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1sc(CCC)nc1C)c1ccc(C(F)(F)F)cc1 486215003 AEAFUVRQLRBMTA-MRXNPFEDSA-N 439.503 5.185 30 20 IKED C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 487990428 APOAUMWWEBSZSZ-QGZVFWFLSA-N 449.507 5.315 30 20 IKED COc1ccccc1CC(C)(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 496152042 XCPSGQLPQDULFR-UHFFFAOYSA-N 428.532 5.548 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H](CNC(=O)C(C)(C)C)C1 497509261 WJRBVPUBABPWDM-HXUWFJFHSA-N 448.567 5.065 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 500757839 XIMSAUPKQMFUSB-DEOSSOPVSA-N 441.487 5.029 30 20 IKED C[C@@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1cccc(OCc2ccccn2)c1 502300938 BZMUVLDMWPFFGC-HXUWFJFHSA-N 438.531 5.092 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)NCc3ccccc3F)n2)o1 504555898 POCHYMBJVWMADQ-UHFFFAOYSA-N 449.429 5.088 30 20 IKED CCCc1noc2nc(-c3ccco3)cc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)c12 505331163 WHISKNBKXOTULK-CQSZACIVSA-N 440.381 5.339 30 20 IKED COc1ccc([C@@H]2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2)cc1 506657088 XERZVDQSXNGIGS-HYBUGGRVSA-N 445.950 6.025 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cn2cc(Cl)ccc2n1 510526249 ZJVHRGZNJJFOFF-UHFFFAOYSA-N 431.883 5.282 30 20 IKED CCc1cc(C#N)c(NC(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)s1 512935443 GDVXWQDWHJVBPC-LBPRGKRZSA-N 431.970 5.751 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N(Cc2cscn2)c2ccccc2)c1 513258545 ZHXOUZYYYZDIRA-UHFFFAOYSA-N 425.513 5.441 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccccc2C)nnc1-c1ccc(Cl)cc1 514357250 BGMBSABGBNVGNL-SJORKVTESA-N 441.000 5.451 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)cc1 521322887 PKJOTUYTZJJQBO-RCZVLFRGSA-N 428.557 5.358 30 20 IKED C=CCn1c(SCc2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccc(F)cc1 521668462 TUUSJWNNFFLBEE-UHFFFAOYSA-N 427.892 5.266 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1coc(-c2cccc(F)c2)n1 521724367 ZKCZFFALCDBWNV-OAHLLOKOSA-N 441.553 5.747 30 20 IKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccc(F)cc1F 521735366 YWDFRASRIQVYTN-LLVKDONJSA-N 429.414 5.428 30 20 IKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccccc1 521803902 FUCOBKUWKZLIPH-DEOSSOPVSA-N 427.504 5.193 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(CSc4ccccn4)c3)cc2)nc1 521969381 OVZXWGHOWVJIOL-UHFFFAOYSA-N 438.512 5.685 30 20 IKED C=CCOc1ccccc1C(=O)NC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 522720091 PMZKIIUNZFWHDL-GCJKJVERSA-N 432.486 5.083 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)NCc2ccc(Br)cc2Cl)c1 523272376 QFUJZJSVDYHLNZ-UHFFFAOYSA-N 445.700 5.076 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(COc4ccc(C#N)cc4)o3)n2)cc1 524430689 BZHXKLNJANHEFR-NRFANRHFSA-N 439.496 5.652 30 20 IKED Cc1nnc(-c2cccc(C(=O)N(Cc3ccc(Cl)cc3)c3cccc(C#N)c3)c2)o1 532090228 OFGKDWSFKAOCHJ-UHFFFAOYSA-N 428.879 5.417 30 20 IKED C=CCN(Cc1ccc(OC)cc1)Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 532484186 OSLRFBZKHVCCRZ-UHFFFAOYSA-N 435.593 5.641 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2ccccc2)CC(C)(C)O)cc1 537257630 WFIBBCCCDHKWQX-UHFFFAOYSA-N 445.519 5.164 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(Cc2cccnc2)CC1 537844973 DHGWYBOWDYYTJI-UHFFFAOYSA-N 440.547 5.327 30 20 IKED C=C(C)COc1cc(CN2CCC(N(CCC)C(=O)c3cccs3)CC2)ccc1OC 539898232 NYZKYSQDUYOTNB-UHFFFAOYSA-N 442.625 5.228 30 20 IKED C=CCCC[C@H](C)NC(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 540533510 ZBTDHZKTLJJMJF-ABVOBTCJSA-N 440.653 5.338 30 20 IKED N#CCC1CCN(C(=O)Nc2ccc(COc3ccc(Br)cc3)cc2)CC1 541970023 WDUIQHBOCKLOST-UHFFFAOYSA-N 428.330 5.186 30 20 IKED FC(F)(F)c1cc([C@H](NCc2ncc(C3CC3)o2)C(F)(F)F)cc(C(F)(F)F)c1 542124367 XFHSOFBNZSWVMV-AWEZNQCLSA-N 432.286 5.983 30 20 IKED C[C@@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccc(-c2cccc(C#N)c2)cc1 543858851 BDUKBURJPRJEKE-GOSISDBHSA-N 439.490 5.829 30 20 IKED C[C@H](Sc1ccccc1)c1ccc(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1 548881989 OHFCMHLKYRACNW-FQEVSTJZSA-N 442.588 6.024 30 20 IKED COc1ccc2cc([C@H](C)C(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)ccc2c1 552691704 XIJLPEDMCSFQBQ-KRWDZBQOSA-N 432.495 5.033 30 20 IKED C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCO[C@@H](c2ccsc2)C1 555249505 PTMSCSJYWHWGGK-GOSISDBHSA-N 434.487 5.179 30 20 IKED Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1SCc1ccc(C#N)cc1 558955731 BNNKTMGXTCFUCB-FRIKZZABSA-N 442.588 5.135 30 20 IKED Cc1cc(Br)c(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc1Cl 561014357 JDJSDGBZEQGALR-HNNXBMFYSA-N 442.538 5.168 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1cccc(O)c1)CC1CC1 576317099 QQRVWLWVKKVSSD-UHFFFAOYSA-N 427.504 5.809 30 20 IKED N#CCc1ccccc1NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 576668301 KHZYPVPZAXMGSX-UHFFFAOYSA-N 434.293 5.020 30 20 IKED N#CCCC[C@H](NC(=O)C(=O)Nc1cccc(Sc2ccccc2)c1)c1ccccc1 590300099 BJGBUNHGTQHQQZ-QHCPKHFHSA-N 429.545 5.328 30 20 IKED CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 591518795 ZNRKJKXJPKRHQD-UHFFFAOYSA-N 439.331 5.044 30 20 IKED CN1C(=O)c2cc(Br)ccc2N[C@@H]1c1cccc(OCc2cccc(C#N)c2)c1 602755108 GFFXGRYBQZOYJQ-QFIPXVFZSA-N 448.320 5.096 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccnc(Oc4ccccc4)c3)cn2)cc1 603689457 MPKPZICEWQQGSC-UHFFFAOYSA-N 437.459 5.255 30 20 IKED CN(Cc1ccccc1Br)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603691124 BLPVEBSKVNOLFA-UHFFFAOYSA-N 437.297 5.172 30 20 IKED COc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)ccc1OC1CCCC1 603809287 FXKHQURSOGGTSA-UHFFFAOYSA-N 429.476 5.328 30 20 IKED Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1ccccc1-c1ccccc1C#N 603969874 IZTVFEJGYULKBL-UHFFFAOYSA-N 437.543 5.849 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](c4nc5ccccc5o4)C3)cc2)cc1 604461349 GYAAUZNLEPJFEE-IBGZPJMESA-N 438.487 5.903 30 20 IKED N#C[C@H](NC(=O)CCc1nc2ccccc2s1)c1ccc(OCc2ccccc2)cc1 609028840 UQYROMDPCXEEGK-QFIPXVFZSA-N 427.529 5.189 30 20 IKED CCn1c([C@H]2CCCN2C(=O)c2ccc(COc3ccc(C#N)cc3)o2)nc2ccccc21 609058991 FKTFFAYTXNSOKI-HSZRJFAPSA-N 440.503 5.077 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(Br)ccc3Cl)o2)cc1 609060903 JWJSBLJWDPCVOA-UHFFFAOYSA-N 431.673 5.398 30 20 IKED C[C@](Cc1nc2ccccc2s1)(C(=O)NCc1ccc(C#N)cc1F)c1ccccc1 609228869 KCWLDYATCLEWEJ-RUZDIDTESA-N 429.520 5.124 30 20 IKED COc1ccc(-c2nc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cs2)cc1OC 609427473 BDDXRLGFVXNFEC-AWEZNQCLSA-N 439.562 5.474 30 20 IKED C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc2c(c1)c1ccccc1n2C 609429270 QPDHQVMUVQFCLK-MRXNPFEDSA-N 435.574 5.527 30 20 IKED CC(C)C[C@@H](C)Oc1cc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)ccn1 609555638 YIASEMPQYBAVJY-QZTJIDSGSA-N 426.586 5.468 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2csc(-c3ccc(Cl)s3)n2)c1C 610054325 JLLQQWWPRDPCAA-UHFFFAOYSA-N 439.953 5.452 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1cccc(Sc2ccc(Cl)cc2)c1)c1cccc(C#N)c1 610463066 FUWJOBSTWNTGGJ-OAHLLOKOSA-N 435.936 5.179 30 20 IKED COc1cc(CNC(=O)c2c(Cl)cc(C#N)cc2Cl)ccc1OCc1ccccc1 611092980 PUDFCLPLRGIWNT-UHFFFAOYSA-N 441.314 5.383 30 20 IKED N#C[C@@H](C(=O)c1ccc(COc2ccccc2Br)cc1)c1nc2ccccc2o1 614439827 MKDCIUIAXQMONW-KRWDZBQOSA-N 447.288 5.659 30 20 IKED N#Cc1ccc(CNCc2cc(Br)ccc2OCc2ccccn2)cc1Cl 619748902 YCHQIRJEGSIWDQ-UHFFFAOYSA-N 442.744 5.238 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)c1C(F)F 669674938 WKGXHYPQCACJEL-UHFFFAOYSA-N 449.273 5.192 30 20 IKED O=C(Nc1ncc(Cc2ccccc2F)s1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 672856095 SPEUNTLJOJWTKQ-RYUDHWBXSA-N 441.372 5.078 30 20 IKED O=C(N[C@@H]1CCCC1(F)F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 673377181 JKRRXFBYHJVZFU-DSPLRFDZSA-N 433.383 5.413 30 20 IKED C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)c1c(Cl)ccc(F)c1Cl 674426932 KYLSWCXWJHGLBA-XLPZGREQSA-N 441.174 5.576 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(Cl)cc1C(F)(F)F 681130030 UAQUIDJLGCFGPI-HTQZYQBOSA-N 441.721 5.998 30 20 IKED C#Cc1cccc(NC(=S)N(Cc2ccc(Cl)c(Cl)c2)C[C@H](C(C)C)N(C)C)c1 726478895 OSFCUTUOQTXNDP-JOCHJYFZSA-N 448.463 5.760 30 20 IKED COc1cc(C#N)cc(Cl)c1OC(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c12 727705957 CRPLXJZHZBQVPZ-UHFFFAOYSA-N 437.839 5.359 30 20 IKED CC(C)(C)OC(=O)NCc1cccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 728611762 AKCXMUJKXRJVHU-UHFFFAOYSA-N 443.503 5.628 30 20 IKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCO[C@@H](c3ccccc3Cl)C2)c1=S 728904038 JWWHJBQEHWTODX-HXUWFJFHSA-N 444.963 5.091 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)cc1 729176664 KSDDPGXTEKIORH-LJQANCHMSA-N 443.400 5.269 30 20 IKED Cc1nc(CCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)oc1-c1ccccc1 730397170 YOJGNRFYUGPFPF-MRXNPFEDSA-N 442.302 5.237 30 20 IKED N#C[C@@H](C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1nc2cc(F)ccc2s1 730417707 PWAQFZLPUSBZCI-AWEZNQCLSA-N 430.386 5.130 30 20 IKED COc1ccc2cc(/C=C\C(=O)N[C@H](C#N)c3ccc(OC(F)(F)F)cc3)ccc2c1 731197120 OFXXLJXVSAKNBY-TWWUCYKXSA-N 426.394 5.141 30 20 IKED N#Cc1cccc(OCCCCC(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)c1 732063163 NFLXPPNTHKXUQK-NRFANRHFSA-N 441.369 5.104 30 20 IKED CN(C)c1ccc(CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C2CC2)cc1 734317429 KLMAJTYGJLMLTD-UHFFFAOYSA-N 425.532 5.008 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)NCCCc3nc4c(s3)CCCC4)c2)s1 740044447 VMIHXKFZNDCWJT-UHFFFAOYSA-N 436.606 5.054 30 20 IKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F 741431111 PIEIVCYSMPCAON-OTWHNJEPSA-N 438.405 5.189 30 20 IKED C#CCOc1cc(F)ccc1NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 741638085 HJRQKTLFNSEIQS-UHFFFAOYSA-N 434.414 5.161 30 20 IKED O=C1/C(=C\c2ccc(Oc3cnccn3)cc2)CC/C1=C\c1ccc(Oc2cnccn2)cc1 743059473 YLSRZUOLYROYNH-KBNZVFGVSA-N 448.482 5.681 30 20 IKED Cc1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c2ccccn12 744036211 WWEYNXCIOXUOPY-AWEZNQCLSA-N 427.316 5.563 30 20 IKED Cc1cccc2nc([C@H](C#N)C(=O)CCc3nc4cc(Br)ccc4s3)[nH]c12 744161538 VAGQTRMOKZSMDR-CYBMUJFWSA-N 439.338 5.053 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3ccc(-c4nc5ccccc5s4)s3)o2)c1 744469026 RTXBMIAUWNFSMX-UHFFFAOYSA-N 444.497 5.303 30 20 IKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)O[C@@H](c1ccccn1)C(F)(F)F 747339987 RSYQTTWMJYXGHT-AWEZNQCLSA-N 447.253 5.345 30 20 IKED CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2cc(C#N)cs2)NC(=S)N1c1ccccc1 747960586 LTAGCPZNTNMZOH-NRFANRHFSA-N 448.548 5.107 30 20 IKED Fc1ccc(-c2csc3ncnc(NN=Cc4cnc([C@@H]5CCCO5)s4)c23)cc1 755589172 ZHVPHQLBJZTFDG-INIZCTEOSA-N 425.514 5.251 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 756783032 WQSFXRSSMUKKGU-AVRDEDQJSA-N 425.557 5.950 30 20 IKED C#CC[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccccc1 757613505 MVZXCYJKDWLSNQ-HXUWFJFHSA-N 434.565 5.016 30 20 IKED C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(OCC#N)c1 760353844 SWBKSLPENHGACJ-SFHVURJKSA-N 438.980 5.506 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(Cl)c(F)c2)cs1 765612050 DEUHZEJREJIAGE-UITAMQMPSA-N 435.307 6.170 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)cc1 771112682 AWTQLZQVISHTMU-RUZDIDTESA-N 443.522 5.083 30 20 IKED CCOc1ccc([C@H]2CCCN2C(=O)CSCc2cc(Cl)ccc2OCC#N)cc1 773440324 KYVDUARDHKVSEL-OAQYLSRUSA-N 444.984 5.238 30 20 IKED COc1ccccc1Nc1nc2sc(C(=O)Nc3cccc(OCC#N)c3)cc2s1 775660988 IYXYTTLSQQJLNK-UHFFFAOYSA-N 436.518 5.265 30 20 IKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(Cl)c(Cl)c1)[n+]1c(C)ccc(O)c1Cl 777510918 QFIINBJVOPTSTD-UHFFFAOYSA-O 444.791 5.325 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)OCc1ccc(-c2ccccc2C#N)cc1 778162773 AGDMFRDNLVIFGF-OAHLLOKOSA-N 441.453 5.448 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](c2ccc(Cl)cc2F)C(C)C)ccc1OC 781937229 OTZDOOWFSAJNJG-HTAPYJJXSA-N 447.938 5.365 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cc(Br)ccc3F)n2)cc1 784498419 JPFSEYKEKOIWTE-MRXNPFEDSA-N 440.297 5.002 30 20 IKED COc1ccccc1-c1ncc(/C=C/C(=O)c2ccc(OC(F)F)cc2OC(F)F)cn1 792857868 GGXAONCNHBRLQH-RMKNXTFCSA-N 448.372 5.251 30 20 IKED CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1N=Cc1c(O)cccc1OC 812394996 IZQNZALPKHFDGD-UHFFFAOYSA-N 434.492 5.201 30 20 IKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccc(C)cc2)N=C1C 912823744 YTLYSIKQEUJPBP-UHFFFAOYSA-O 440.976 5.254 30 20 IKED CC(C)n1ncc2cc(/C=C/C(=O)c3ccc(-c4ccc(C(=O)O)o4)cc3)c(Cl)nc21 913617475 CPWCSAAIZZNDRC-BQYQJAHWSA-N 435.867 5.520 30 20 IKED N#C[C@@H](C(=O)COc1ccc(C2SCCCS2)cc1)c1nc2ccccc2s1 915099248 NUFDCTZSCYQFJG-INIZCTEOSA-N 426.588 5.420 30 20 IKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1nc2ccccc2n1C(F)F 915104229 NPJDBNJJTHYSOY-CQSZACIVSA-N 442.372 5.174 30 20 IKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NNc1nncc2ccccc12 915914335 MZJMVUMWPKLOSD-UHFFFAOYSA-N 430.821 5.242 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cs1 917562217 WDXYAIHNBQFRQL-WEVVVXLNSA-N 435.307 6.170 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/CSc3ccccc3C2=O)cs1 917563981 TXOZCBXTSRBXRA-UVTDQMKNSA-N 426.950 5.853 30 20 IKED Cc1ccc(-c2noc(CCC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)n2)cc1F 918491733 FYWQNAVPQYQXJR-KRWDZBQOSA-N 432.480 5.117 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CCCC(F)(F)F)cc3)CCC2)cc1 1786621658 PYYIMZOQADLYBD-UHFFFAOYSA-N 429.442 5.039 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@@H]4c4ccc(Cl)cc4)cc3)CCC2)CCC1 1789154093 KMAQZGMUXZHTFO-FGZHOGPDSA-N 447.966 5.271 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4cnccc4n3)CCC2)cc1 1789453650 DLHMAFCABCKJGR-JOCHJYFZSA-N 440.547 5.146 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc4cc(C)ccc4[nH]3)CC2)C1 1805454907 LHIMVTBPXMKYPE-UHFFFAOYSA-N 433.596 5.090 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2ccc(C)cc2)[C@H]1c1cccnc1 1812741622 VBJDBYAQPRHYCU-AOYPEHQESA-N 447.623 5.021 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccccc2)[nH]n1 1814445705 UIQRNOSKRDSWRB-VWPQPMDRSA-N 434.584 5.198 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2csc(C)c2C)n[nH]1 1816614563 PLJAUQMMKKQGED-PXNSSMCTSA-N 426.586 5.162 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccnc3ccccc23)n[nH]1 1818443052 MPIVEMGZSMBWEZ-FDDCHVKYSA-N 443.551 5.032 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sccc2OCC)CC1 1823643973 LHUGYPVDPJJRGT-HXUWFJFHSA-N 446.657 5.373 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2cccc(CC)c2)cc1 10174754 QUHQYRVMOHWVDR-UHFFFAOYSA-O 431.625 6.273 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)(C)C)cc1)=C(/S)Nc1ccc(F)cc1 10829028 PZURXJGQGUNVQW-UHFFFAOYSA-O 435.588 6.024 30 20 IKED O=C(/C(=C(\S)Nc1ccc(Cl)cc1)[n+]1ccccc1)c1ccc(Br)cc1 20834483 CFFJQIWNXXCDOD-UHFFFAOYSA-O 446.777 5.441 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccoc1C 21925479 MKCGKYKOHVTAPW-GFCCVEGCSA-N 437.352 5.459 30 20 IKED C=CCn1c(C)nnc1SCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 21989227 OACHPWLBGFOPNB-UHFFFAOYSA-N 426.156 5.117 30 20 IKED N#Cc1c(NC(=O)CSc2nc3ccccc3n2C(F)F)sc2c1CCCCC2 45602889 RVQYGNMJRCXNEC-UHFFFAOYSA-N 432.521 5.364 30 20 IKED N#CCCN(Cc1ccco1)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 57614628 WYEBGMHJKGXLEC-UHFFFAOYSA-N 425.828 5.190 30 20 IKED C=CCn1c(SCc2nc(C)c(C)o2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 63415833 KGZLJHDGAOQTQL-UHFFFAOYSA-N 441.553 5.656 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 111183760 GPKJDJMNKSAEKQ-UHFFFAOYSA-N 425.488 5.096 30 20 IKED CCn1c(-c2ccccc2)c(C(=O)Cn2cc(C#N)c(=O)c3ccccc32)c2ccccc21 116797764 ZIBZFZRKSBVXNK-UHFFFAOYSA-N 431.495 5.398 30 20 IKED COc1ccc(-c2nnc(SCCCCC#N)n2-c2cccc(C(F)(F)F)c2)cc1 195532367 CSUXFHSSJGJKTE-UHFFFAOYSA-N 432.471 5.748 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1csc(-c2ccc(OCC)cc2)n1 302927573 CNUYHMFXUZMHMA-UHFFFAOYSA-N 432.998 5.681 30 20 IKED Cc1nc(NC(=O)CCCSc2ccc(Br)cc2)sc1SCC#N 303272061 HQQCXSKDIBPTON-UHFFFAOYSA-N 442.429 5.341 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cnn1-c1cccc(Br)c1 430609910 JBSYTCYFOHRGTP-HNNXBMFYSA-N 443.370 5.187 30 20 IKED N#CCCC[C@@H](NC(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21)c1ccccc1 431877827 MGGLYIWBZPZHEZ-RPBOFIJWSA-N 425.532 5.912 30 20 IKED CC1(C)CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)[C@H]1c1cccnc1 432676907 CETNIBGDTPBZSV-GGAORHGYSA-N 430.939 6.005 30 20 IKED CC1(C)CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)[C@@H]1c1ccncc1 432677433 DGLPNJCXOGPFPH-XMMPIXPASA-N 426.520 5.342 30 20 IKED COC(=O)C12CCC(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)(CC1)CC2 432713935 NPGHCYYMAIMRIL-LXKSKSEUSA-N 436.939 5.448 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 437810660 MKRUEIWLLNZKKU-DNQXCXABSA-N 430.552 5.006 30 20 IKED CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)Nc1ccccc1SC[C@H](C)C#N 438076136 SSPHRNWGBBJQJX-IFMALSPDSA-N 436.625 5.314 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC(Oc3ccccn3)CC2)c1 438331017 WLJHVSZXAOZMQA-UHFFFAOYSA-N 433.895 5.083 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccncc3OCC(F)(F)F)cc2)cc1 439492116 LWLKBEFPBWKHEJ-UHFFFAOYSA-N 442.397 5.008 30 20 IKED C=CCC[C@H](NC(=O)N(C)CC(=O)Nc1c(C)cccc1C)c1ccc(C(F)(F)F)cc1 441530177 DHCILDXRNGHYDC-FQEVSTJZSA-N 447.501 5.610 30 20 IKED N#C[C@H](C(=O)c1cccc(-c2noc(C3CC3)n2)c1)c1nc(-c2c(F)cccc2F)cs1 442818256 ZYADBNVAOJCKPQ-OAHLLOKOSA-N 448.454 5.506 30 20 IKED N#Cc1cc(N2CCC[C@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)nc2ccc([N+](=O)[O-])cc12 443491551 QVNOCCAUXANKMW-NRFANRHFSA-N 444.882 5.400 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 443885872 QREZYWGJSRZOCN-UHFFFAOYSA-N 432.833 5.344 30 20 IKED CC(C)(C#N)CC(=O)Nc1ccccc1COCc1ccccc1NC(=O)CC(C)(C)C#N 447394305 QDXJXAUPKMDHLX-UHFFFAOYSA-N 446.551 5.160 30 20 IKED CN(C)[C@H]1CCOc2c(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)cccc21 447721663 GYURMFXXSPDBNX-QFIPXVFZSA-N 431.467 5.127 30 20 IKED COCCCCc1cccnc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 463024336 KCSJFMSHBSMJPT-UHFFFAOYSA-N 435.911 5.620 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)N3CCSc4ccc(C(F)(F)F)cc43)cc2)nc1 469032726 RLSFKGLOZXVWLI-UHFFFAOYSA-N 441.434 5.517 30 20 IKED CC[C@@H](CN(CC)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1 470531915 MYWZFZQWQTUUKO-FQEVSTJZSA-N 432.568 5.317 30 20 IKED CC(C)c1nn(-c2ccccc2)cc1CNC(=O)Nc1ccccc1SC[C@@H](C)C#N 470591916 WIRLNSQWGSMTMC-SFHVURJKSA-N 433.581 5.569 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1 472839783 MOPBTXMATGKGRN-FPOVZHCZSA-N 447.926 5.571 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3c(F)ccc(F)c3F)s2)c(C(F)(F)F)c1 475984405 BPNYNVNPTDGFJV-UHFFFAOYSA-N 441.356 5.294 30 20 IKED Cc1ccc2c(N[C@H]3CCOC4(CCSCC4)C3)c(C#N)cnc2c1Br 480080843 MGAWUPRVYYAELG-HNNXBMFYSA-N 432.387 5.034 30 20 IKED CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)c2cccs2)cc1 481508594 WKRFRHBMHHTOIZ-OYHNWAKOSA-N 435.524 5.117 30 20 IKED CC[C@H](CN(CC)C(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 482238191 DDBCAOJJCKQOBZ-LJQANCHMSA-N 445.523 5.028 30 20 IKED COc1ccc(CNc2cc(Br)ccc2N2CCCC2)cc1OCCCC#N 482623743 MLJGPWNNNJNVLD-UHFFFAOYSA-N 444.373 5.353 30 20 IKED C=CCN(CC1CCCCC1)C(=O)[C@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 482779718 WRLKQATWFZNKHK-INIZCTEOSA-N 433.643 5.230 30 20 IKED Cn1ccnc1Sc1ccccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 483470777 PFBKKOIBFOOHQB-UHFFFAOYSA-N 426.501 5.488 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(-c4ccccc4C)noc3C)n2)cc1 483515868 WTJXCUSTCWTEIB-IBGZPJMESA-N 429.501 5.581 30 20 IKED CC(C)(C)N(Cc1cccc(F)c1)C(=O)CSc1nc(C(F)(F)F)ccc1C#N 488764002 JLFGIBBXQGHOOV-UHFFFAOYSA-N 425.451 5.031 30 20 IKED C=CCOc1ccc(-c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1 489761188 RXZLLSKIVUDZJF-UHFFFAOYSA-N 435.427 5.051 30 20 IKED COc1cc(OC)c(NC(=O)c2ccccc2-c2ccccc2C#N)cc1Br 490919267 MSJGUNJZCRLOEW-UHFFFAOYSA-N 437.293 5.257 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)cc1 492305719 WBEFOPVVLHXZGJ-UAPYVXQJSA-N 445.906 5.005 30 20 IKED CC1(C)CC(/C=C\c2ccccn2)=Cc2c1sc(NC(=O)CN1CCC=C(F)C1)c2C#N 492810203 RUCFYGZBTFGJHV-HJWRWDBZSA-N 448.567 5.290 30 20 IKED C[C@@H](Oc1ccc(F)cc1Br)C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 499807306 BQQDRYOBKWWEMI-OTYXRUKQSA-N 446.103 5.043 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)n2)c1 502418482 SZAQKKCMZHKKJX-UHFFFAOYSA-N 441.394 5.003 30 20 IKED CCN(C(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1)[C@H](C)c1ccc(C#N)cc1 504074624 WFTXXVAXZQJFDL-MRXNPFEDSA-N 434.458 5.050 30 20 IKED COc1cc(C)ccc1Oc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1F 504091861 FHAVAUNIPFSPGW-XMMPIXPASA-N 442.487 5.135 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3nc(N)c4ccccc4n3)n2)o1 504555724 OOXKNUPPSNAWEC-UHFFFAOYSA-N 441.438 5.358 30 20 IKED C=CCCc1ccccc1NC(=O)N[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 505029298 MTZNXNBEZHUENL-IBGZPJMESA-N 431.536 5.671 30 20 IKED Cc1oc(NC(=O)[C@@H](C)N(C)CCCCCc2cc(-c3ccccc3)no2)c(C#N)c1C 507229461 GUXCCXMWVROORF-GOSISDBHSA-N 434.540 5.095 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 507784809 NYDGXQYMDSRZTH-UHFFFAOYSA-N 437.902 5.952 30 20 IKED CC(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1 508151935 RKCMPURWNRIJDY-VQIMIIECSA-N 444.000 5.229 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCCOc3ccc(F)cc32)cc1 508273215 KPJOTBQYFOBJPG-NRFANRHFSA-N 447.466 5.534 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCO[C@H](c2ccsc2)C1 508843306 CAMNDUMDCMPXQW-JPYJTQIMSA-N 446.576 5.397 30 20 IKED CC(=O)Nc1cc(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cc(C(F)(F)F)c1 509309169 CQXBNKYJFLTRAY-INIZCTEOSA-N 436.327 5.226 30 20 IKED CN(Cc1cccc2ccccc12)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511523346 UWGMFZWSLKRWJI-UHFFFAOYSA-N 434.499 5.628 30 20 IKED N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1nc2ccccc2s1 513676875 LZZWLEFOBJHLJV-KRWDZBQOSA-N 431.498 5.846 30 20 IKED C[C@@H](C#N)CN(C(=O)Nc1ccc(COc2ccc(Br)cc2)cc1)C1CC1 513899152 XKUXDJZYKNOITI-HNNXBMFYSA-N 428.330 5.184 30 20 IKED Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cccc(OCc2cccc(C#N)c2)c1 514572003 LDBUKUMHNNVOKT-CIAFOILYSA-N 439.540 5.470 30 20 IKED C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 515095841 UHWHLQQLCLYPEA-OAQYLSRUSA-N 440.576 5.418 30 20 IKED COc1ccc([C@H](CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)N2CCCC2)cc1 517530139 OGQMDKZDVDJKGH-AVRDEDQJSA-N 438.597 5.048 30 20 IKED CCCOc1ccccc1Oc1ncccc1CNC(=O)N[C@H](C)c1ccc(C#N)cc1 518005278 KIJRAXCUFZFBQN-GOSISDBHSA-N 430.508 5.095 30 20 IKED COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 519026575 NTSZBXPSGIEFSH-INIZCTEOSA-N 432.501 5.256 30 20 IKED CC(=O)c1cccc(O[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 519432966 JWJSDJBVXUUJKW-CQSZACIVSA-N 436.455 5.320 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(-n2cnc3ccccc32)cc1 520856672 MTPQCQUHUVVIGT-GOSISDBHSA-N 441.560 5.599 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cc(Br)ccc1F 521114767 ISHBQJSWDPBTCR-UHFFFAOYSA-N 427.298 5.863 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 521262562 MYUSAOYULRFONG-MRXNPFEDSA-N 446.979 5.081 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(OCc4ccncc4)cc3)c2)c1 522302822 XQUKAHOKMQBBKM-UHFFFAOYSA-N 435.483 5.364 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)cc1Cl 523556959 WGLLQJBAWVVIQM-GGAORHGYSA-N 447.922 5.807 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 524033180 IIDRNLVOZOOYEC-INIZCTEOSA-N 436.924 5.359 30 20 IKED O=C(NCc1nc(C(F)(F)F)cs1)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 524875230 JQZYWQGTCVTKIW-UHFFFAOYSA-N 448.363 5.917 30 20 IKED COc1cc(CN(C)C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c(SC)cc1OC 524950269 USFIXOKXVYLDHB-UHFFFAOYSA-N 447.560 5.313 30 20 IKED N#C[C@@H](C(=O)c1cnc2ccsc2c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 525283943 YASBEOZZRBJANO-ZDUSSCGKSA-N 430.341 6.217 30 20 IKED CCOc1cc(Br)c(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1OCC 537426696 HWSLQMUNDOLGCI-UHFFFAOYSA-N 429.314 5.054 30 20 IKED C=CCC[C@H](NCc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1)c1ccccc1 538259101 YGUKIKJLVMFZRP-QFIPXVFZSA-N 425.985 6.278 30 20 IKED CC(C)(O)CN(Cc1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 539441304 DUUFHEDGYFZPBP-UHFFFAOYSA-N 443.547 5.137 30 20 IKED CC(=O)N1CC[C@H](NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c2ccccc21 541147346 BMAOWTVUURBYHB-CJAUYULYSA-N 438.531 5.083 30 20 IKED C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ncc(-c2ccccc2)o1 541641054 WMKHHGGNKSUJAT-MRXNPFEDSA-N 434.565 5.223 30 20 IKED N#Cc1ccc(NC(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1C(F)(F)F 542025675 HHDKJKFENNAMNO-KRWDZBQOSA-N 443.347 5.201 30 20 IKED CN1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)[C@@H](c2ccccc2)C1 549013714 PUOMOZJDHVTIAB-ILBGXUMGSA-N 444.966 5.516 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3Oc3ccncc3)n2)cc1 549413638 MNRHWGQSJZMAJF-FQEVSTJZSA-N 427.485 5.496 30 20 IKED Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCC(Oc3cccc(C#N)c3)CC2)c1 552514536 FXKDVWRCTRZYDT-HHHXNRCGSA-N 439.559 5.398 30 20 IKED CC(C)Oc1ccc([C@@H](CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)N(C)C)cc1 558345805 XZTRISFLIDPAJS-PGRDOPGGSA-N 440.613 5.292 30 20 IKED COc1cccc(C(=O)CCCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 559521337 MZZHBSGKTXSISG-UHFFFAOYSA-N 442.515 5.446 30 20 IKED CCO[C@H](c1noc([C@H]2CC[C@@H](C(F)(F)F)C2)n1)c1ccc(F)cc1C(F)(F)F 566824827 XFFCADHJTPDVCI-RBZYPMLTSA-N 426.332 5.799 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H](C)Cc1ccccc1C(F)(F)F 569582461 UTKKIBOVIIVFAA-CVEARBPZSA-N 435.515 6.195 30 20 IKED Cc1nc(C#N)c(N2CCC(c3nc([C@@H](c4ccc(Cl)cc4)C(C)C)no3)CC2)o1 573017030 OYCVLOOYXMRAIN-LJQANCHMSA-N 425.920 5.063 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC4(CCC4)[C@@H]3[C@H]3CCCO3)cc2Cl)cc1 573610972 SSTWFKCZWAHSIB-YADHBBJMSA-N 437.927 5.569 30 20 IKED CSCC[C@@](C)(C#N)NC(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21 574941400 XFMLCUULDMIIND-NRFANRHFSA-N 447.391 5.162 30 20 IKED CC(C)(c1cc(F)cc(C#N)c1)c1nc(-c2ncoc2-c2cccc(C(F)(F)F)c2)no1 582089112 PUNYSKBTPRDSAV-UHFFFAOYSA-N 442.372 5.747 30 20 IKED O=C(Nc1cc(F)ccc1Cl)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 590252742 ABKPQFBDBPEFDW-UHFFFAOYSA-N 445.718 5.614 30 20 IKED COc1cc(CNC(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)ccc1OC(F)F 591841196 KZRBZTBJYVDNTL-UHFFFAOYSA-N 440.315 5.272 30 20 IKED C[C@@H](Oc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cn1)c1ccccc1 603740245 YNURXTXIKGGWQT-GOSISDBHSA-N 436.471 5.533 30 20 IKED CCOC(=O)C1CCC(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 604461669 VMNKPECGVTUTKY-WIXQSORDSA-N 439.943 5.239 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(F)cc(Br)c1 609060802 NMWMHOBTCWCQFS-UHFFFAOYSA-N 439.284 5.600 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2 609061740 WWNBJFPIKSHZCE-UHFFFAOYSA-N 448.906 5.052 30 20 IKED Cc1nc2cc(F)cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)c2nc1C 609064109 VIMQXDYBYGGOGS-UHFFFAOYSA-N 426.451 5.089 30 20 IKED CC(C)c1ccc(Sc2ccc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)cc2)cc1 609256270 ZSVRFFCJSMVHQX-UHFFFAOYSA-N 447.535 5.227 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cnn(-c2ccccc2F)c1 609378592 XRROKJNUXMMXLH-UHFFFAOYSA-N 434.418 5.288 30 20 IKED C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)N(C)Cc1ccc(Br)cc1 609387060 ISFMTHLGURFEQX-CVEARBPZSA-N 446.414 5.160 30 20 IKED COc1ccc(CNc2cc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)ccc2C)cc1OCCCC#N 610910155 UPONIHLSMCQPBT-BGYRXZFFSA-N 449.595 5.416 30 20 IKED COc1ccccc1-c1nnc(SCc2ccnc(C#N)c2)n1-c1ccc(Cl)cc1 610957000 IJZCIPGNBBIYTG-UHFFFAOYSA-N 433.924 5.155 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c1C(F)F 611251993 GDMMBIAVDZTRPL-ZDUSSCGKSA-N 428.405 5.152 30 20 IKED N#C[C@H](C(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1nc(-c2ccccc2)cs1 613392517 XGAJFZGPBSLZRI-OAQYLSRUSA-N 429.545 5.819 30 20 IKED Cc1nc2cc(F)cc(C(=O)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c2nc1C 613624058 LPGVFWQGGPYNTK-QWRGUYRKSA-N 437.359 5.025 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1noc(-c2cccc(F)c2)n1 671927818 WLJHDPBQDGJTHU-UHFFFAOYSA-N 447.310 5.186 30 20 IKED N#C[C@H](C(=O)c1cncc(C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 685143182 OSFPMHXIQMQHFI-CYBMUJFWSA-N 442.249 6.021 30 20 IKED Cc1sc2ncn(N=Cc3cnc(-c4ccccc4)s3)c(=O)c2c1-c1ccccc1 727253326 DYEWEHCCVMMSRI-UHFFFAOYSA-N 428.542 5.439 30 20 IKED COc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2csc(-c4ccccn4)n2)CC3)cc1 727780542 OXUBGRFCESWQSS-QINSGFPZSA-N 431.542 5.550 30 20 IKED C#Cc1cccc(N(CC)C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 728481052 GDXFANAFVSWCJC-UHFFFAOYSA-N 435.877 5.005 30 20 IKED CCOc1cc(C#N)ccc1OC(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1 728804299 WSKLBNATMVKGCB-UHFFFAOYSA-N 445.306 5.187 30 20 IKED CC(C)c1ccc([C@@H](CNC(=O)Nc2ccc(CC#N)cc2)NC(=O)OC(C)(C)C)cc1 729033909 WGLWTWNPESIUCC-JOCHJYFZSA-N 436.556 5.264 30 20 IKED COc1ccc(-c2cc3nc(/C(Cl)=C\c4cccc(OCC#N)c4)[nH]c(=O)c3s2)cc1 730150874 FRXKSQHDUIXGOW-LDADJPATSA-N 449.919 5.299 30 20 IKED CN(C(=O)c1ccccc1NC(=O)CCCCOc1cccc(C#N)c1)C1CCCCC1 731977706 RIBNLFSRGLZMTI-UHFFFAOYSA-N 433.552 5.151 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1cc(Cl)ccc1Cl 733079745 JUQDOZUJQPNWMK-UHFFFAOYSA-N 426.229 5.700 30 20 IKED Fc1ccc(C(F)(F)F)cc1C=Nn1c(S)nnc1Cc1cccc2ccccc12 733200921 FJIAXFKVEWPXKJ-UHFFFAOYSA-N 430.430 5.351 30 20 IKED C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C 733807916 XGJIAIWQOMLXOJ-KRWDZBQOSA-N 437.540 5.172 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2cc3cc(Br)ccc3o2)cs1)C1CC1 734305762 FGENWGUPWAEZIG-ZZXKWVIFSA-N 431.311 5.063 30 20 IKED COc1ccc2[nH]cc(C(=O)/C=C/c3csc(N(C(C)=O)c4ccc(F)cc4)n3)c2c1 734307374 NYQVBIRQJHDBSH-BJMVGYQFSA-N 435.480 5.353 30 20 IKED CC(C)(C)OC(=O)NC1(c2noc(-c3cccc(COc4cccc(C#N)c4)c3)n2)CCC1 734359712 KIWHZEDPIRIUEK-UHFFFAOYSA-N 446.507 5.091 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2ccncc2)n1)c1ccc(SC(F)F)cc1 735976916 TZEYGVPRIGBPLE-UHFFFAOYSA-N 439.413 5.708 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(Oc2nccs2)c1 737317354 WLEDFLHQZFLWHE-AWEZNQCLSA-N 432.288 5.203 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2C[C@@H](c3ccccc3C)C[C@@H]2C)c1=S 738053161 AHTIKNBZWZHGPQ-PMACEKPBSA-N 434.609 5.420 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=NNc1cccc(C(F)(F)F)n1 739421559 KAQLRSYBXDHEAE-UHFFFAOYSA-N 428.245 5.406 30 20 IKED CS[C@@H](C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)c1ccccc1 740361475 HBBJLCIMSSOWHM-JOCHJYFZSA-N 439.581 5.068 30 20 IKED CC(C)(C)c1nc2ccc(NC(=O)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)cc2s1 743221974 UGHOSOHJJLSHJG-UHFFFAOYSA-N 449.580 5.071 30 20 IKED COCCc1nnc(S)n1N=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1 743447502 SPUKNKVAYJXVMA-UHFFFAOYSA-N 429.549 5.108 30 20 IKED CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C#N)o2)NC(=S)N1c1ccc(C)c(C)c1 743744794 OBDRXHALTJYYHN-HSZRJFAPSA-N 442.544 5.117 30 20 IKED C[C@H](Oc1ccc(Cl)c(COC(=O)Cc2ccc(OCC#N)cc2)n1)c1ccccc1 744291275 SNBBLOLLMHSSNX-KRWDZBQOSA-N 436.895 5.063 30 20 IKED N#CCCN(Cc1cccnc1)C(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12 746592014 LAZJOAFVDKVTPC-UHFFFAOYSA-N 449.539 5.463 30 20 IKED N#C[C@@H](C(=O)CSCc1cscn1)c1nc(-c2ccc(Cl)cc2Cl)cs1 747211383 YZJJHOVTSQCNAZ-ZDUSSCGKSA-N 440.402 5.683 30 20 IKED Cc1c(C(=O)/C=C\c2ccccc2OCc2ccccn2)nnn1-c1ccc(Cl)cc1 747614304 BPGOGTOYRHRSTM-ZROIWOOFSA-N 430.895 5.099 30 20 IKED Cn1cc(/C=C/C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2ccncc2)n1 750915324 DSTSJDOUVBECFT-NSCUHMNNSA-N 425.332 5.416 30 20 IKED N#C[C@H](C(=O)CCc1cc(Cl)ccc1Br)C(=O)Nc1ccccc1Cl 751152741 PINURANRYWCFMM-CYBMUJFWSA-N 440.124 5.036 30 20 IKED COc1cccc(Nc2nn(CN3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c(=S)s2)c1 751933414 VDQPIKGZEBQQGF-VQTJNVASSA-N 437.594 5.156 30 20 IKED C[C@@H](CSc1ccc(F)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 756232709 DNWCDSKERHETKA-SJCJKPOMSA-N 438.496 5.216 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(Cc2cccs2)Cc2ccccc2OC)c1 760172270 YSNSKBNVVXQSHA-OAQYLSRUSA-N 449.576 5.350 30 20 IKED CCC1(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)CC1 764754416 DXCJSRJRAWDAOZ-UHFFFAOYSA-N 428.213 5.161 30 20 IKED C=CCn1c(-c2cccs2)nn(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c1=S 764886727 ROSOXNNDJRCBLJ-MRXNPFEDSA-N 437.594 5.307 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](CC(F)(F)F)c2ccccc2C)ccc1OC 770613272 XDJZMBCFGURAPP-PKOBYXMFSA-N 449.473 5.178 30 20 IKED CN(CCCC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)C(=O)OC(C)(C)C 777297523 QLBMZZAAORMOEM-ZDUSSCGKSA-N 441.475 5.138 30 20 IKED CC(C)c1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c3ccccc3)cc1)CC2 778941246 PVPLBYIEPYPWFH-FTJBHMTQSA-N 437.543 5.208 30 20 IKED Cc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccccc1SCc1ccc(C#N)cc1 779186161 DYZCZPWWBPYBFJ-GOSISDBHSA-N 430.529 5.343 30 20 IKED C=CCOc1c(Br)cc(CNc2ccc(F)cc2OCC#N)cc1OCC 779609680 REJDPSTWFIEDEY-UHFFFAOYSA-N 435.293 5.066 30 20 IKED Cc1nc(-c2ccccc2)ccc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 780305903 QVKZNROFBWKKQA-LJQANCHMSA-N 437.471 5.333 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 780675087 SUXMHANVPCEZCC-ZBEGNZNMSA-N 431.336 5.421 30 20 IKED CC(C)(C#N)c1ccccc1COC(=O)c1ccccc1NC(=O)OCc1ccccc1 781686712 CNIRPICRWGHDSP-UHFFFAOYSA-N 428.488 5.593 30 20 IKED Cn1c(Cl)cnc1CN[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 783012098 DJXWSAYSZMDGPI-LBPRGKRZSA-N 439.709 5.504 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N[C@@H](C#N)c3ccc(Cl)cc3)ccc21 793453386 XNSATHSYWXOWFV-IBGZPJMESA-N 425.916 5.022 30 20 IKED COc1cc(NC(=O)c2sc3ccc(C#N)cc3c2C)ccc1NC(=O)OC(C)(C)C 794231717 MZMCCACQNQKGJY-UHFFFAOYSA-N 437.521 5.689 30 20 IKED CC(C)(C)OC(=O)NC[C@@H](C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)c1ccc(F)cc1 797569891 ZALBJERZWFIMRC-IAGOWNOFSA-N 445.560 5.064 30 20 IKED C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](c2nc3ccccc3s2)C1 800773266 DATZLBFAUNLLHC-MRXNPFEDSA-N 436.972 5.173 30 20 IKED Brc1cccc(Br)c1NN=Cc1c(C2CC2)nc2sccn12 800818660 JJCRVCWNSCJKGG-UHFFFAOYSA-N 440.164 5.244 30 20 IKED C[C@]12CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)C[C@H]1C2(Cl)Cl 803547603 CSMURIQJDNNWDY-CTNGQTDRSA-N 431.388 5.506 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 806200217 AELIVEVWTCEUJJ-VWLOTQADSA-N 427.552 5.730 30 20 IKED Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 810115261 UWPVZRCDNWNTBU-KRWDZBQOSA-N 432.833 5.158 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(Br)nc2)cs1 811696109 JHUWHRNIRULBKU-VMPITWQZSA-N 446.301 5.020 30 20 IKED C[C@H](C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)c1cccc(Br)c1 813059978 MVRPXQHPZHGMGQ-QFYYESIMSA-N 440.124 5.207 30 20 IKED Fc1ccc2ccc(C=Nn3c(S)nnc3-c3ccc(Cl)cc3Cl)nc2c1F 814731623 XFAKYPKJRTWSKD-UHFFFAOYSA-N 436.274 5.249 30 20 IKED CC(=NNc1ccc([N+](=O)[O-])cn1)c1sc(-c2ccc(Br)cc2)nc1C 814806044 NWLJCHSKGJGKSS-UHFFFAOYSA-N 432.303 5.020 30 20 IKED CC(=O)N[C@@H](CC(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1ccccc1 915102922 LCWIWKATKAMGBA-LCXHMKDLSA-N 447.604 5.055 30 20 IKED Cc1cc(CSc2ccccc2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)on1 915174824 DQLUTNPZOIVDOO-UHFFFAOYSA-N 442.500 5.587 30 20 IKED COc1ccc2cc(CN(C)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)ccc2c1 915352395 HLRPHSHQYVNBBK-HHHXNRCGSA-N 435.527 6.168 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 915353485 USNBOHGNPSLLNG-BJKOFHAPSA-N 428.536 5.284 30 20 IKED CCN(CC)[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 915353722 WPQQCNYPSZWYNE-IZZNHLLZSA-N 426.564 5.547 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1 916074696 WZMHHYPADFTRNZ-UHFFFAOYSA-N 430.464 5.345 30 20 IKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cccc(Oc2ccccc2)c1 916883378 KCNDSKIUHYPSEI-HXUWFJFHSA-N 438.455 5.755 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C 916906780 JTHFCJYTDOAVQC-CLOONOSVSA-N 441.575 5.800 30 20 IKED CCCCc1oc2ccccc2c1/C=C\C(=O)[C@@H](C#N)C(=O)Nc1ccccc1OCC 916926310 XOCDKKDEQNQRIF-CNNWTFKKSA-N 430.504 5.535 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(NC(=O)C(C)(C)C)cc2C)cc1 916954886 LHEWFGUKNVUYSU-KDOFPFPSSA-N 439.581 5.516 30 20 IKED Cc1cc2oc(=O)cc(CNc3ccccc3Oc3ncccc3C#N)c2cc1C(C)C 917812828 KVBYXTLRWPSAFF-UHFFFAOYSA-N 425.488 5.896 30 20 IKED O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 919931471 DZJFNTNCYRKXKN-UHFFFAOYSA-N 447.310 5.224 30 20 IKED C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(N2CCCC2=O)cc1 920945625 DJFMANVFMOHEHK-SFHVURJKSA-N 441.556 5.327 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C4CC(F)(F)C4)cc3)CCC2)c1 1785912451 BBZZFCUJSNSCDI-MRXNPFEDSA-N 437.490 5.107 30 20 IKED O=C(C#Cc1ccccc1)Nc1ccc(C2(NC(=O)c3ccc4cnccc4c3)CCC2)cc1 1787779343 LZLZYQWGTDTULS-UHFFFAOYSA-N 445.522 5.034 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccoc4c3)cc2)CCC1 1788484159 ASURNBGQGYWAGA-UHFFFAOYSA-N 431.536 5.568 30 20 IKED Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C3(NC(=O)CCC#N)CCC3)cc2)cc1 1790734552 OQAGTBDUYSNKCJ-UHFFFAOYSA-N 437.543 5.714 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc4ccoc4cn3)cc2)CCC1 1790833095 YZZVAMJNEAOQNQ-OAQYLSRUSA-N 429.520 5.344 30 20 IKED C#CCCCC(=O)N1CCC2(CCCN(C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)C2)CC1 1805637959 DUDJCEQLBHATBZ-DEOSSOPVSA-N 443.031 5.114 30 20 IKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)CCCCCC(C)(C)C)[C@@H]2c2cccnc2)C1 1812804981 YKAWFPDFUXQCCB-QPPBQGQZSA-N 425.617 5.050 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)n[nH]1 1822320662 RGAFVOGVNFKRFL-RZUBCFFCSA-N 434.584 5.198 30 20 IKED CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)CCCC1 1823844911 DYLZXMGVVYUAQC-OAQYLSRUSA-N 442.003 5.025 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)c(C)c2)CC1 1824143052 DTVFEEDVVBHOEZ-XMMPIXPASA-N 426.576 5.136 30 20 IKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)C(C)C)CC1 1824237192 ZHHXXBYEFCIDJX-VXNXHJTFSA-N 444.685 5.000 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)ccnc2Cl)CC1 1825367355 PAKNLMFCMYXOJB-LJQANCHMSA-N 449.998 5.100 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)cccc2Cl)CC1 1828827855 XOSORJQDYYNQJV-UGKGYDQZSA-N 446.994 5.481 30 20 IKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CC3CCCC3)CC2)c1Cl 1829688615 CZSFLEWVXYHPSS-QFIPXVFZSA-N 442.003 5.025 30 20 IKED Cc1c(Cl)cccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1 1829951007 SJQAKJHGROHYCZ-DEOSSOPVSA-N 449.982 5.067 30 20 IKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C3CCCCC3)CC2)cc1 1830355371 GCCQEZQBXVHUNZ-XZXPPUMWSA-N 447.623 5.122 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 1832020795 NCEGJSWVBGSDGJ-JIMJEQGWSA-N 434.624 5.178 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2cc(C)cc(C)c2)cc1 10172527 GMGJACGHWZVJDK-UHFFFAOYSA-O 430.018 5.919 30 20 IKED N#CCSc1ccccc1NC(=O)CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 15291062 PHDACPHIBWAZIE-UHFFFAOYSA-N 433.377 5.390 30 20 IKED C=CCSc1ccccc1NC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 20041890 YVQKUDFVRMDVHE-UHFFFAOYSA-N 433.558 5.042 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1ccccc1C(C)C 21683568 PMDUCYDUKXJGOD-UHFFFAOYSA-N 440.544 5.036 30 20 IKED CCc1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccccc2CC)cc1 22731003 RKXCUEPBPSFYFC-UHFFFAOYSA-O 425.524 5.428 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(SC)c2)nc2sc(C)c(C)c2c1=O 23404929 LONDPSGESKMMQM-AWEZNQCLSA-N 445.635 5.102 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl 32789335 VPVVCIJNCDCTAN-AWEZNQCLSA-N 447.391 5.481 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 60560692 XCCJBYCXDGYPGF-JOCHJYFZSA-N 439.968 5.221 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)cc1 61187104 MJFTXYXQCBUIJU-UHFFFAOYSA-N 446.359 5.214 30 20 IKED CC(C)n1cnnc1[C@@H]1CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 303534003 SHASOLOBDZVULP-OAQYLSRUSA-N 445.592 5.043 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 303959054 BJNLSJNHCDXYGB-YADHBBJMSA-N 426.472 5.172 30 20 IKED N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 432596664 URTVMBKYYRPDDU-RUZDIDTESA-N 431.923 5.226 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1ccccc1 432765394 BWXFBNGUYCEZSL-VQTJNVASSA-N 427.932 5.454 30 20 IKED Cc1ccn(C2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)n1 433244830 KJNFNUSWNLCFAF-JOCHJYFZSA-N 433.943 5.369 30 20 IKED C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCN1Cc1ccccc1 438061949 LRLZMTQHKNWYGR-OAQYLSRUSA-N 440.547 5.479 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@H](c3cccc(F)c3)C2)cc1F 438667982 WEONUBOANJRORH-QHCPKHFHSA-N 435.430 5.234 30 20 IKED N#CCC[C@H](NC(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1)c1ccccc1 438835324 CDGHDPUBQACUOM-VQTJNVASSA-N 436.314 5.260 30 20 IKED C[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)N[C@H](C)c1cc2ccccc2o1 439561566 OFQGHDVTTRIUBJ-RTBURBONSA-N 439.515 5.561 30 20 IKED C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 441396716 CSVPCZNIKFXGAX-ZACQAIPSSA-N 444.000 5.181 30 20 IKED N#Cc1cc(NC(=O)C(=O)NC2CCCCCC2)ccc1Oc1ccc(C(F)(F)F)cc1 441603364 OOAUSVVEMIXGML-UHFFFAOYSA-N 445.441 5.147 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)c1C#N 445567182 QYDYPJUVYNGGBM-DLBZAZTESA-N 442.466 5.227 30 20 IKED CCc1ccc([C@@H](N[C@H](CC)c2ccc(C#N)cc2)c2cccc(S(C)(=O)=O)c2)cc1 447541950 HRNSPAAMUARXHI-CLJLJLNGSA-N 432.589 5.354 30 20 IKED C=CCn1c(SCc2nnc(-c3ccccc3)s2)nc2sc(C)c(C)c2c1=O 463777733 ZFBNEDPEHGKUIM-UHFFFAOYSA-N 426.592 5.072 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc1 464409299 UPZGFEKGTGRKGB-LJQANCHMSA-N 437.446 5.754 30 20 IKED C=CCC[C@H](NC(=O)Nc1cc2c(cc1OC)CCC(=O)N2)c1ccc(C(F)(F)F)cc1 467292758 FHTWJGHNPIWLIU-KRWDZBQOSA-N 447.457 5.428 30 20 IKED C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C[C@@H]1n1ccnc1 469504422 DXEILTUMQXTRJI-IERDGZPVSA-N 435.915 5.315 30 20 IKED Cc1cc(N(CCC#N)C(=O)CNc2ccccc2NC(=O)c2ccccc2)ccc1Cl 470536983 GRXHMLZQFFUYHC-UHFFFAOYSA-N 446.938 5.260 30 20 IKED CC[C@H](Cc1ccccc1)N(CC)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470553363 LTRPNASJFUGNOY-HSZRJFAPSA-N 432.568 5.145 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc4nc(C(F)(F)F)cn4c3)cc2)c1 471783923 ZDAQBWTWFROXHY-UHFFFAOYSA-N 436.393 5.056 30 20 IKED N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc1 471869742 IIVINUCUDHLLCG-SFHVURJKSA-N 443.894 5.177 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)n1 474419654 BWHVQJZSNZNEDZ-MRXNPFEDSA-N 441.603 5.549 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1 475075398 KLOKVEJUWJXDRF-UHFFFAOYSA-N 441.318 5.216 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 475543878 AJYVSHWYYHZUIN-NRFANRHFSA-N 432.486 6.163 30 20 IKED O=C(Cc1csc(-c2ccc(Cl)s2)n1)NCC#Cc1ccc(C(F)(F)F)cc1 477253533 KTHSHMGECAYUFG-UHFFFAOYSA-N 440.899 5.254 30 20 IKED C[C@H](NC(=O)c1c(F)cc(C#N)cc1F)c1nc(-c2ccc(Br)cc2)cs1 478496591 YFIUGYQPNYINBH-JTQLQIEISA-N 448.292 5.213 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2csc(-c3cccc4ccccc34)n2)n1 480907649 CWWXNFWTKIOVDO-MRXNPFEDSA-N 433.514 5.087 30 20 IKED C=C(C)CN(C)CC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccccn1)CC2(C)C 481242733 ZZIBKZPXVBSXPX-KTKRTIGZSA-N 432.593 5.239 30 20 IKED C=C(C)Cn1c(SCC(=O)N2CCCCC[C@@H]2c2ccc(C)o2)nnc1-c1ccco1 482080792 WCXVQWLEYPSREP-GOSISDBHSA-N 440.569 5.252 30 20 IKED CC(C)(C#N)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)cc1 483140562 IFACACXWABBOEH-UHFFFAOYSA-N 441.409 5.604 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)c2)c1 487195137 PMUKVRWZIQBRKP-UHFFFAOYSA-N 441.409 5.354 30 20 IKED N#CCCC[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1ccccc1 487606360 UOGLKHJOQYAEDK-HXUWFJFHSA-N 444.387 6.211 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@H](CN3CCCCCC3)C2)cc1 487811471 WCEFVVDJBDQIDM-XMMPIXPASA-N 447.648 5.579 30 20 IKED Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3SC[C@H](C)C#N)o2)c(C)c1 488801933 QLBQCUBULACUKH-OAHLLOKOSA-N 438.578 5.336 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@H](C)c3nc(-c4ccc(Cl)cc4)no3)o2)cc1 489809635 MZXRLFPMCWUYPW-CYBMUJFWSA-N 440.912 5.858 30 20 IKED O=C(Nc1cc(F)c(OC(F)F)cc1F)N[C@@H](c1c(F)cccc1F)C(F)(F)F 491322655 LZNLETCKGXXKCM-ZDUSSCGKSA-N 432.242 5.270 30 20 IKED CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 494837939 YLZHMDHJQJGVQR-UHFFFAOYSA-N 441.862 5.575 30 20 IKED CC(C)Cn1ncc2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cnc21 499163018 DEEUDKVDOIPNSB-SFHVURJKSA-N 435.940 5.354 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc([C@H]4CCCOC4)cc3)c2)cc1 502937593 DDIDIIAOXJRXKF-DEOSSOPVSA-N 426.516 5.478 30 20 IKED CCCCOc1c(Cl)cc(C(=O)Nc2nc(C)c(SCC#N)s2)cc1OCC 504779891 VWFHEOPUVXEWNP-UHFFFAOYSA-N 439.990 5.551 30 20 IKED Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 505345104 RFBIEKUIJMACRV-KRWDZBQOSA-N 447.347 5.280 30 20 IKED CCN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)C[C@@H](C)C2 509230278 RYEROGVAIYSEOU-FBKQIBBUSA-N 425.532 5.352 30 20 IKED CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccccc1S[C@@H](C)CC#N 509474480 ZJSSIQRYWJVPBC-SCLBCKFNSA-N 436.002 5.189 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1cc(C)cc2cccnc12)c1ccc(C(F)(F)F)cc1 511188131 CNBSQTRJFPVFMI-IBGZPJMESA-N 441.453 5.324 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1 511519209 DRRVNRIBGKKJGL-UHFFFAOYSA-N 440.547 5.208 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1c(C)cc(Br)cc1OC 513554532 QDHDHHFJFDTEEE-UHFFFAOYSA-N 435.366 5.154 30 20 IKED Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cn2)n1 514575026 XGTSLZCLTLGIGX-QFIPXVFZSA-N 441.922 5.445 30 20 IKED CCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cnn1-c1ccc(C)cc1 516269904 CPMNISCLXSJWOW-HXUWFJFHSA-N 442.544 5.365 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccc(C)cc4)n3)n2)cc1 516714267 YNXAJHSNGCECEM-SFHVURJKSA-N 431.542 5.741 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 517843956 HGNCORAURYXVFQ-UHFFFAOYSA-N 427.460 5.029 30 20 IKED Cc1ccc([C@H](CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)N2CCCC2)o1 517903492 OVDUPHPFQYTSIK-QHCPKHFHSA-N 430.508 5.211 30 20 IKED Cc1nc(NC(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)sc1SCC#N 518029689 NNDJVDTWDXBRHQ-KRWDZBQOSA-N 429.567 5.678 30 20 IKED N#C[C@H](NC(=O)CCSc1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 518320308 GFCVJIUTMVGHNJ-INIZCTEOSA-N 443.288 5.331 30 20 IKED COc1cc(C)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(C)c1 518643527 JQIDNGSVJYIWOK-UHFFFAOYSA-N 444.500 5.137 30 20 IKED Cc1nc(CC(C)C)sc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 518668651 JQSDALCDJRRDJT-UHFFFAOYSA-N 427.517 5.927 30 20 IKED CCOc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC 520600955 XGJHBGHUIKWOPA-KRWDZBQOSA-N 431.492 5.641 30 20 IKED N#Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)cc2)cc1 520615792 XKFKKAJMFWGSIR-UHFFFAOYSA-N 443.406 5.042 30 20 IKED CN(C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1)c1ccccc1 521554030 OJXONJPDIPJFJL-LJQANCHMSA-N 444.441 5.198 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)c1C 523535532 XDDHTLIYROBMIJ-MSOLQXFVSA-N 425.319 5.410 30 20 IKED Cc1nc(C(C)(C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)sc1C 524077721 BHKYVTHWETYGMS-UHFFFAOYSA-N 434.565 5.462 30 20 IKED N#Cc1cc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)ccc1OCC(F)(F)F 524168726 KHGXWXGECHBKNW-UHFFFAOYSA-N 428.332 5.188 30 20 IKED CCc1nn(C)c(CC)c1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 532852245 JQUVMBUEHXPVRF-IBGZPJMESA-N 435.959 5.175 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)cc1 536814874 HGVOXGQTAPLGAA-BVAGGSTKSA-N 441.531 5.231 30 20 IKED Cc1cc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)nn1-c1ccc(Cl)cc1Cl 537383986 OTJRSRSLOHJSCT-CYBMUJFWSA-N 439.224 5.391 30 20 IKED Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2cn(C)nc2-c2ccc(C#N)cc2)cc1 537557987 URYXNLIWKDKDSJ-AREMUKBSSA-N 433.515 5.034 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@H](CO)c3ccc(C(F)(F)F)cc3)cc2)cc1 540024008 HQHFAEKGTOQQLV-JOCHJYFZSA-N 440.421 5.027 30 20 IKED C=CCC[C@@H](N[C@H](C)c1cccc(NS(C)(=O)=O)c1)c1ccc(C(F)(F)F)cc1 540148853 HFDCBZBRUKITPS-FOIQADDNSA-N 426.504 5.435 30 20 IKED Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 541035958 JOGJQHGJJQRROJ-XLIONFOSSA-N 440.330 5.869 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2csc(-c3ccccn3)n2)cc1 541746742 SECTUFVABNQRFC-UHFFFAOYSA-N 428.542 5.621 30 20 IKED C[C@H](NC(=O)c1ccccc1COC1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 543857555 BFOUBFDFZFOFJC-FQEVSTJZSA-N 440.543 5.412 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1cccc(F)c1F)C(F)(F)F 544128109 CEQCJJQDHBJZNY-BLVKFPJESA-N 443.441 5.191 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1F 544616528 WZGFJPYUNJDYTH-YKSBVNFPSA-N 449.457 5.671 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(-c2nc([C@H]3CC(=O)N(CC4CCC4)C3)no2)c1 545145524 IHOBPOQVEBJCOS-KRWDZBQOSA-N 448.910 5.170 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(-c2nc([C@@H]3CC(=O)N(CC4CCC4)C3)no2)c1 545145525 IHOBPOQVEBJCOS-QGZVFWFLSA-N 448.910 5.170 30 20 IKED C=CCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1 554931102 XNZBHJDPRXRXHL-OXJNMPFZSA-N 427.474 5.056 30 20 IKED C=C(C)Cn1c(C2CCC2)nnc1N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 555267349 WIVSGULJTOXKOA-GOSISDBHSA-N 438.963 5.209 30 20 IKED Cc1cc(Sc2ccccc2)ccc1NC(=O)C(=O)N[C@H](CCCC#N)c1ccccc1 560281360 OVHNWKZJRXDFOU-XMMPIXPASA-N 443.572 5.636 30 20 IKED C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc2n[nH]cc2c1 562100126 NNYBTVADZKTOGY-KRWDZBQOSA-N 425.492 5.091 30 20 IKED C[C@H]1C[C@@H](c2ccccc2)N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 562133550 MLZHFEUIQCQQKV-FNZWTVRRSA-N 425.532 5.947 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC(F)(c3cccnc3)CC2)c1 563676624 VFECHTVXSONWDH-UHFFFAOYSA-N 435.886 5.500 30 20 IKED CCC[C@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(Cl)c(Cl)c1 570178160 MJKHRZIAAAHMBB-IBGZPJMESA-N 431.367 5.497 30 20 IKED C=CCn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CCC[C@H]1c1cccc(Cl)c1 571843073 QOBKXVMXFJIJCD-RJGXRXQPSA-N 434.971 5.704 30 20 IKED Cc1cc(Cl)ccc1CN1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 582199727 XGKRLUKBVLZVGK-QGZVFWFLSA-N 443.016 5.250 30 20 IKED C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1cccc(C(F)(F)F)c1 588091331 RTQFJKOWPSJUBD-AWEZNQCLSA-N 435.421 5.030 30 20 IKED O=C(C[C@H](c1ccccc1)C(F)(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590663572 UFCJCMFVKPOGSZ-ZOBORPQBSA-N 435.330 5.748 30 20 IKED C=CCN(C(=O)c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603458888 KTMHZUQLZXJSAJ-UHFFFAOYSA-N 434.304 5.858 30 20 IKED CC(C)[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1nc2ccccc2[nH]1 603649042 REHGOVGKOHGXFU-HXUWFJFHSA-N 430.537 5.001 30 20 IKED C[C@@H](NC(=O)CNc1ccccc1Oc1ncccc1C#N)c1ccc(Cl)cc1Cl 604007561 BOUFLCKQGHLYAA-CQSZACIVSA-N 441.318 5.342 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H]3Cc3ccc(F)cc3)c2)cc1 604085203 VDNVVIBZFXFRPX-RUZDIDTESA-N 443.522 5.710 30 20 IKED CC[C@H](C)c1ccc([C@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C(C)C)cc1 604135798 FUHWKQFWRIWDIY-SSOJOUAXSA-N 431.584 5.177 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cccc2ccccc12 604463888 ZCBYOOOHBAQTNA-GOSISDBHSA-N 435.483 5.320 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cnc(Cc4ccc(F)cc4)s3)s2)cc1 608897372 ZHTXUIMCVKSZPL-UHFFFAOYSA-N 434.521 5.044 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccccc1N1CCCC1 609079115 JPEUBEWSGFNEBO-UHFFFAOYSA-N 440.547 5.368 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)CCS3)cc1Cl 609164587 RJFPIOBPLRQQPP-LJQANCHMSA-N 447.947 5.682 30 20 IKED COc1ccc(CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[C@H](C)C2CC2)cc1 609422541 YNNDZGPMSLFWJR-GOSISDBHSA-N 442.519 5.587 30 20 IKED N#C[C@@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)c1ccc(Br)cc1 609588581 AMBIANKKWUURFF-OAHLLOKOSA-N 434.746 5.026 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N(Cc2cccnc2)Cc2ccco2)c1 609722943 PURDDMXIKUYZIA-UHFFFAOYSA-N 443.890 5.835 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)CSCc2ccc(C#N)cc2)c1C 609795354 NLICINNZCWPDNW-UHFFFAOYSA-N 445.375 5.540 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)c1 610195410 ZNCOZNPYJIAFBI-SFHVURJKSA-N 448.748 5.082 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C3)c2)cc1 610632420 UCBVWDJRQXMBOH-IAGOWNOFSA-N 443.347 5.555 30 20 IKED N#Cc1cccc(COc2cccc(CN3C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C3)c2)c1 611276615 MHCYWGSXNNEFCO-RTBURBONSA-N 428.376 5.310 30 20 IKED C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cccs1 619854295 VCKSAECXCMOZQC-AOMKIAJQSA-N 441.988 5.311 30 20 IKED C[C@@H](C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccccc1C(F)(F)F 643844996 DGZGKGNATSMHDA-LLVKDONJSA-N 445.338 5.791 30 20 IKED CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 670801672 QEBUBHDIDPVEPZ-BNOWGMLFSA-N 435.330 5.473 30 20 IKED C[C@H](NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)c1c(Cl)ccc(F)c1Cl 674426840 KYLSWCXWJHGLBA-FXQIFTODSA-N 441.174 5.576 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccc(-c3nc(C)c(C)o3)cc2)nnc1-c1ccco1 675750285 AYZYMGCOIMZJFD-UHFFFAOYSA-N 449.536 5.117 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1 728060686 NXUBPGHAJXZWRS-JOCHJYFZSA-N 445.485 5.188 30 20 IKED Cc1ccccc1CN(C)C(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728298409 UDSISUWCSBQWLV-IBGZPJMESA-N 431.511 5.044 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2csc(-c3ccc4c(c3)OCO4)n2)S1 728437800 IUYJOBPMDKHLIU-GIJQJNRQSA-N 435.530 5.047 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2csc(C(=O)O)c2)cs1 730150005 NWZKFZHYAWOVJK-QPJJXVBHSA-N 432.910 5.137 30 20 IKED Cc1nc(CCC(=O)O[C@H](C)c2cccc(C#N)c2)oc1-c1ccc(Br)cc1 730399268 PWTNDJNGOIIKDI-OAHLLOKOSA-N 439.309 5.521 30 20 IKED O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 730833959 VCQPEBPYDMVARW-CQSZACIVSA-N 445.281 5.206 30 20 IKED N#Cc1cccc(OCCCCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 732496455 VWQFWZAWZTWJGU-QGZVFWFLSA-N 443.450 5.612 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)O[C@@H](c3cccc(F)c3)c3ccccn3)cc2)nc1 732500375 MMXXRCSHNMWKIC-DEOSSOPVSA-N 425.419 5.226 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC[C@H]1c1ccc(F)c(F)c1 733038614 QDOKGDKBMUNFNO-HSMVNMDESA-N 444.366 5.721 30 20 IKED CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1cccc(Br)c1 733079921 MNCSRSQGABSJSK-UHFFFAOYSA-N 436.235 5.156 30 20 IKED CCSc1ccc([C@H](C)NC(=O)NCc2ccc(OC)c(O[C@H](C#N)CC)c2)cc1 733648877 LKBAGKFZRKSSSH-LPHOPBHVSA-N 427.570 5.049 30 20 IKED N#CCCN(C(=O)CCC(=O)OC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccccc1 733684882 LCDHGAODCKZVOD-UHFFFAOYSA-N 448.469 5.324 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)/C(=C/c2ccccc2OC)c2ccccc2)c1 733773146 RIGDBAYKKKDZHB-VAHWYXDJSA-N 426.516 5.233 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)C(CC)(CC)Cc2nc3ccccc3s2)c1 733787324 OPQIZNWESUEJLJ-LJQANCHMSA-N 435.593 5.643 30 20 IKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2Cl)o1)c1nc(-c2ccncc2)cs1 734083728 QEFQENMNOORKAU-MRXNPFEDSA-N 434.908 5.323 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1Oc1ccncc1 734706593 NHVPXEJWLCLGQY-KRWDZBQOSA-N 440.286 5.450 30 20 IKED C=CC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 735065143 ACIYHUFIYHIZGL-NSHDSACASA-N 447.771 5.142 30 20 IKED C[C@@H]1CN(c2ccc(NC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)cc2)C[C@@H](C)O1 737821509 SRXONCQAKDFGAE-RTBURBONSA-N 426.520 5.168 30 20 IKED C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 739155313 PBNJRAIUOSCHRN-NHYWBVRUSA-N 443.252 5.538 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)c3cccc(NC(=O)c4cccs4)c3)c2)s1 739595543 ZUDWQMRIHORPMV-UHFFFAOYSA-N 443.553 5.531 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccccc3O)C3CCCCC3)cn2)c1 743098652 SQRWDDZGQMXQBP-UHFFFAOYSA-N 442.519 5.818 30 20 IKED CCOc1c(Cl)cc(C=NO[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1OC 744445344 NJSHJJKDKKDXMK-GFCCVEGCSA-N 436.295 5.562 30 20 IKED C[C@@H](OC(=O)[C@@H](Sc1ccccc1F)c1ccccc1)C(=O)Nc1ccccc1C#N 744973696 FBHOLGKIDOJDMV-ZHRRBRCNSA-N 434.492 5.101 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc1 746251694 GBPDZFKVIIKLAM-AOYPEHQESA-N 444.506 5.005 30 20 IKED C=CCc1cc(/C=C(\Cl)c2nc(O)c3ccc(C(F)(F)F)cc3n2)cc(OC)c1O 747063576 NDFOWRQTIVRNIQ-NVNXTCNLSA-N 436.817 5.534 30 20 IKED C[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccc(Cl)c(Cl)c1 747107995 KUKOJHIECDSPMO-HZMBPMFUSA-N 443.302 5.759 30 20 IKED C[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)C(=O)c1cccc(F)c1 747108890 MLMAKHWOSZAUCE-ACJLOTCBSA-N 426.900 5.688 30 20 IKED C=CCn1c(-c2cccc(C)c2)nn(CN(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1=S 747804724 SMZNBGRVDWCRIX-DNQXCXABSA-N 448.636 5.633 30 20 IKED N#Cc1cc(F)ccc1NC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12 751293714 DVVOSNJNKSOTQC-UHFFFAOYSA-N 447.267 5.322 30 20 IKED CN(C)C(=O)Sc1ccc(CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 753122366 IJRQNAQDZKVWAX-UHFFFAOYSA-N 435.524 5.662 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@H](C)c1ccc2ccccc2c1 753519209 CBKCJISFWTUBDV-QZTJIDSGSA-N 432.545 5.377 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@@H](OC(=O)c1c(F)cc(C#N)cc1F)C(F)(F)F 755356065 AOXIJNBRYGRSCB-LJQANCHMSA-N 435.352 5.099 30 20 IKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1Br 757407064 BGPOYQNRTVSZHD-LBPRGKRZSA-N 426.097 5.026 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)cc1 758587566 YZLKMMMTOJHNEF-URXFXBBRSA-N 445.519 5.045 30 20 IKED N#C[C@H](C(=O)/C=C/c1ccc2ccc(Cl)cc2n1)C(=O)Nc1cccc2ccccc12 759214639 ZXIAMPXEXWTFFK-JNCYCUAHSA-N 425.875 5.402 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C 762957241 VSPXZULYZRKENJ-XLIONFOSSA-N 439.581 5.013 30 20 IKED C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCO[C@@H](c3ccsc3)C2)c1=S 765072380 BBMWECSASLPLNA-GOSISDBHSA-N 433.002 5.013 30 20 IKED CC(C)(C#N)c1ccccc1COC(=O)COc1ccc(C2SCCCS2)cc1 767995817 CPZFIJJTXZWTFJ-UHFFFAOYSA-N 427.591 5.479 30 20 IKED C=CCn1c(-c2cccc(Cl)c2)nn(CN2CC[C@]3(C2)OCc2ccccc23)c1=S 769777960 POCSBMLQRZSKTR-HSZRJFAPSA-N 438.984 5.009 30 20 IKED Cc1c(C#N)cccc1NC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12 770729416 YGHNRNXIQRRNJI-UHFFFAOYSA-N 443.304 5.492 30 20 IKED COc1ccc(Cl)cc1[C@@H](CC(C)C)NCC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 775454081 JPSQHFSYCZEUGQ-PZJWPPBQSA-N 448.954 5.263 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc(Oc2cccc(Br)c2)ccn1 780159723 OMJCQBFFKUZLNG-AWEZNQCLSA-N 438.281 5.180 30 20 IKED CCc1cnc(/C=C2/CC(C#N)(c3ccccc3)C/C(=C\c3ncc(CC)s3)C2=O)s1 783699289 BDYYUYZYONJESP-ICFDZUSXSA-N 445.613 6.016 30 20 IKED C[C@H](OC(=O)c1cn(CCCC#N)c2ccccc12)c1nnc(-c2cccc(Cl)c2)o1 785018996 RNCCYZSUMDSSCY-HNNXBMFYSA-N 434.883 5.566 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](O)c1cc(F)cc(Cl)c1 785732101 BHODQWSZWGUPKQ-QFIPXVFZSA-N 439.874 5.307 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(C(F)(F)F)cnc1Cl 790793701 HMFZLXFASNNGOG-BQBZGAKWSA-N 442.709 5.393 30 20 IKED Cc1nc([C@@H]2CCCOC2)sc1C(=O)OCCC(C#N)(c1ccccc1)c1ccccc1 796214694 CIBYZGDTTOEKNP-HXUWFJFHSA-N 446.572 5.402 30 20 IKED C[C@@H](OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccccc1NC(=O)c1ccccc1 796916183 BVRICBHMEQTJKZ-QGZVFWFLSA-N 428.463 5.286 30 20 IKED CSc1ccc(C(=O)c2ccccc2C(=O)OCC(C)(C)CCC#N)cc1[N+](=O)[O-] 798878936 PZAULTMGANBUIY-UHFFFAOYSA-N 426.494 5.034 30 20 IKED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)Nc1ccc(-c2ccccc2)cc1 801665558 NMABXNYFTAZVNJ-UHFFFAOYSA-N 427.891 5.141 30 20 IKED COC(=O)c1ccc(Cl)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 812914595 RCMNTWCTCYRMPM-LJQANCHMSA-N 439.298 5.688 30 20 IKED N#C[C@H](C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)c1cc(C(F)(F)F)ccn1 813213752 PDNHHURNWPCHEI-ZDUSSCGKSA-N 429.225 5.637 30 20 IKED C=CCOc1ccccc1C(=O)OCc1csc(N(C(C)=O)c2cccc(Cl)c2)n1 913367467 IZMDZXYVLWJHOJ-UHFFFAOYSA-N 442.924 5.403 30 20 IKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1nc2ccccc2[nH]1 915097844 BOSOQZNPFLSZLA-CQSZACIVSA-N 425.275 5.334 30 20 IKED Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1cccc(Br)c1 916333583 PQGZUKCINCEMAJ-UHFFFAOYSA-N 428.142 5.185 30 20 IKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C 916935269 ZZEKKUVHZPNWRQ-JOCHJYFZSA-N 429.520 5.187 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSCc3coc(-c4ccccc4)n3)n2)cc1 916973948 ARGVTRPROUPVOF-FQEVSTJZSA-N 445.569 5.883 30 20 IKED N#C[C@H](C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995664 CALBFMFXFSMSDY-JTNHKYCSSA-N 447.309 6.662 30 20 IKED N#C[C@H](C(=O)COc1ccc(F)c(Cl)c1)c1nc2cc(C(F)(F)F)ccc2s1 917044952 WEJUNKXQFPBFLX-LLVKDONJSA-N 428.794 5.363 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NNC(=S)Nc2ccc(C)cc2C)cs1 917532500 XOYFTIUCHIDOSR-UHFFFAOYSA-N 437.594 5.073 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@@H](C)c3ccc(C(F)(F)F)cc3)n2)cc1 920144441 QTAANZXSHKLHBQ-KUHUBIRLSA-N 444.478 6.208 30 20 IKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3cccc(F)c3)cc2)CCC1 1788374931 HKVYOARZLYEVJZ-UHFFFAOYSA-N 441.506 5.049 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc5nc(C)ccc5c4)cc3)CCC2)C1 1789030577 NZVGVBMKBDPSMK-UHFFFAOYSA-N 425.532 5.257 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Nc3ccccc3)CCC2)cc1 1789454375 WRSIFJUIMHUPMJ-YKSBVNFPSA-N 431.580 5.390 30 20 IKED Cc1cc(Cl)ccc1C(=O)NC1(c2ccc(NC(=O)C/N=C/c3ccco3)cc2)CCC1 1789574152 TYWOSSXHUPGMJL-JFLMPSFJSA-N 449.938 5.108 30 20 IKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4sc(C)nc4c3)CCC2)cc1 1791247651 DLKCTOHECZQISH-INIZCTEOSA-N 433.577 5.565 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1Oc1ccccc1 1799549913 UZRNPUWCVUKUNS-KOUNCHBCSA-N 446.591 5.723 30 20 IKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ccccc23)n[nH]1 1818454281 PAQQPHHLZCRFMH-HSZRJFAPSA-N 428.536 5.062 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)Cc2ccccc2)[nH]n1 1819309927 LEDVSYDPEDRNLQ-KJXAQDMKSA-N 434.584 5.049 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2Cl)n[nH]1 1820425859 OMNBZKPYIKCFDC-OXQOHEQNSA-N 426.948 5.137 30 20 IKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[nH]n1 1822405676 SPHBNMQEZUSJAT-OAHLLOKOSA-N 441.746 5.252 30 20 IKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCC3CCC3)CC2)c(Cl)c1 1830720902 MCGMBDCIPXOIAE-HSZRJFAPSA-N 442.003 5.025 30 20 IKED C=CCN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 14723779 BKAKLZJRQSSYLX-UHFFFAOYSA-N 444.310 5.314 30 20 IKED N#CCSc1ccccc1NC(=O)CNc1ccc(Cl)cc1C(=O)c1ccccc1 15291731 LZCPOYNCDQWMRH-UHFFFAOYSA-N 435.936 5.237 30 20 IKED COCc1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)sc2cccc(F)c12 32289646 GBMGOUWADMIMRN-UHFFFAOYSA-N 446.503 5.890 30 20 IKED C=C(C)COc1cc(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)CCCC4)ccc1OC 60822064 WCWIGAAMJZCEMV-YBEGLDIGSA-N 433.533 5.303 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 63403380 FLJOCWMMUNLGKC-UHFFFAOYSA-N 436.968 5.541 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3sc(C)c(C)c3C#N)c3cnn(C(C)C)c3n2)c(C)o1 105440176 ARPRYAWVUNTUGN-UHFFFAOYSA-N 433.537 5.691 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1sc(NC(=O)c2ccco2)cc1C 105456641 LZMIFIMWAVVFRQ-UHFFFAOYSA-N 430.869 5.045 30 20 IKED N#CCCCCSc1nnc(-c2ccc(Br)cc2)n1CCc1ccccc1 195535378 NDOTXSMEQMGGRR-UHFFFAOYSA-N 441.398 5.736 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3ccc(OCC(F)(F)F)cc3)c2)c1 237684562 SDBPKPGXJIMTOZ-UHFFFAOYSA-N 426.438 5.368 30 20 IKED N#CCCn1cc(CNCc2ccc(CN3CCCCCC3)cc2)c(-c2ccccc2)n1 237831827 OYKUSHGVBDXFGK-UHFFFAOYSA-N 427.596 5.130 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(Cl)cc2)nnc1-c1cccc(C)c1 255933077 CQZSKWIGPQGZEN-INIZCTEOSA-N 426.973 5.062 30 20 IKED Cc1ccc(Sc2ccc(/C=C3/S/C(=N\C4CCCC4)NC3=O)cc2[N+](=O)[O-])cc1 301400928 YHCMFTFMAHPXBC-DEDYPNTBSA-N 439.562 5.557 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 303413009 VISUUQSQRCVLRK-MRXNPFEDSA-N 434.521 5.105 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 410285995 ZTCMFMYNJHZUHI-JOCHJYFZSA-N 440.547 5.212 30 20 IKED Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cn1 432123441 CJEOEBQDUUISOY-UHFFFAOYSA-N 447.848 5.198 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC(c3ncc4n3CCCC4)CC2)cc1 433974469 ABWCQBHOGDHMFL-UHFFFAOYSA-N 444.510 5.042 30 20 IKED N#Cc1ccccc1-c1ccc(CS(=O)(=O)Cc2nc(-c3ccccc3)cs2)cc1 436102267 RLEALABMDQMCOH-UHFFFAOYSA-N 430.554 5.464 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NCc1cc(Cl)ccc1N1CCOCC1 439388992 SMXZGKREHICYMV-UHFFFAOYSA-N 427.976 5.350 30 20 IKED CCCc1c(NC(=O)Nc2cnn(CC(C)C)c2C(F)F)cnn1-c1cccc(C#N)c1 439670761 IDZHJNOROBVTLW-UHFFFAOYSA-N 441.486 5.131 30 20 IKED C=CCSc1ccccc1NC(=O)CN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 441065298 QZPCYRRLPXMXBX-CQSZACIVSA-N 441.544 5.258 30 20 IKED N#Cc1ccc(NC(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc1C(F)(F)F 441103085 JMCLOFYGVFAALB-KRWDZBQOSA-N 433.821 5.476 30 20 IKED C=CCC[C@H](NC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1)c1ccc(C(F)(F)F)cc1 441553465 SRGQGHMJNUVBKP-NRFANRHFSA-N 447.457 5.060 30 20 IKED C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 441639862 VLPWAVZGLCQKCI-SNVBAGLBSA-N 444.240 5.042 30 20 IKED N#CCCCn1cc(C(=O)Nc2ccccc2-c2n[nH]c(-c3ccccc3)n2)c2ccccc21 444029328 BUJCGJNVRZIBOD-UHFFFAOYSA-N 446.514 5.649 30 20 IKED N#CCCn1cc(/C=C\c2nc(CC(=O)Nc3ccc(F)c(Cl)c3)no2)c2ccccc21 445371276 XTODVSVCGJECKH-TWGQIWQCSA-N 449.873 5.082 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2cc(Cl)cc(C(F)(F)F)c2)c1C#N 445565899 WAYQFLJBZZJNBY-UHFFFAOYSA-N 436.846 5.390 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(-c2nc(COCC(F)(F)C(F)F)no2)c1 445739571 GKZFQQVKNDBBPS-UHFFFAOYSA-N 441.768 5.471 30 20 IKED COCCN(Cc1cncs1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 448018049 NJLPLUYPPKHMDO-UHFFFAOYSA-N 442.928 5.141 30 20 IKED Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)c2ccc(C(F)(F)F)c(F)c2C)n1 448453730 BSAAVDLUJYYGJJ-UHFFFAOYSA-N 447.310 5.782 30 20 IKED N#CCCN(C(=O)CCC(=O)Nc1ccc(-c2ccc(Cl)s2)cn1)c1ccccc1 448509449 DQULTXUOAVYWHQ-UHFFFAOYSA-N 438.940 5.129 30 20 IKED C=C(C)Cn1c([C@H]2CCOC2)nnc1N(C)[C@@H](C)c1ccc(-c2ccccc2OC)cc1 460962630 ZRKLFKHIMDGIIU-UGKGYDQZSA-N 432.568 5.231 30 20 IKED CSc1cccc([C@H](NCc2cccc(OCCCC#N)c2)c2ccc(F)c(F)c2)c1 462744762 WNMNMURIDJATRL-VWLOTQADSA-N 438.543 6.248 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 463259222 PATAEURVNQMORT-FPOVZHCZSA-N 447.348 5.206 30 20 IKED Cc1cc(Br)cc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 463638379 ZDJPKEMJRVLGBU-UHFFFAOYSA-N 445.367 5.025 30 20 IKED N#Cc1ccc(F)c(CNC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)c1 463981356 IUSOEIPSVKINRR-UHFFFAOYSA-N 440.837 5.064 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)NCCOc1ccc(C#N)cc1 465913576 ZGIWHSKZDGINQN-OAHLLOKOSA-N 440.956 5.083 30 20 IKED CSc1ccc(F)cc1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 466811973 KNYKZJLOABECNL-UHFFFAOYSA-N 437.515 5.470 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3Cl)ccc21 469951585 YCBVTLSTZCGPEV-MOPGFXCFSA-N 442.346 5.319 30 20 IKED COc1cccc(C=C2CCN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CC2)c1 472934506 ORBDGEAZQPWOJE-UHFFFAOYSA-N 425.488 5.074 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 474436264 CZYVNPWEYATWIU-GDBMZVCRSA-N 435.509 5.233 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(Br)cn1 475241100 MUJDVMDDUAJVPM-CQSZACIVSA-N 437.297 5.391 30 20 IKED CC(C)c1nc2c([nH]1)C[C@H](C(=O)Nc1ccc(OCc3cccc(C#N)c3)c(Cl)c1)CC2 475601316 NIRIRAQADHHGCZ-GOSISDBHSA-N 448.954 5.381 30 20 IKED COc1cc(C[S@@](=O)Cc2cccc(C(F)F)c2)ccc1OCc1cccc(C#N)c1 479839233 VSZRJGDLNPUUDX-HKBQPEDESA-N 441.499 5.532 30 20 IKED C[C@H](Nc1ccc(NC(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)cc1)c1ccccc1 480966618 CWNWPAOFPGDOSR-MSOLQXFVSA-N 448.548 5.189 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccccc3NC3CCCCC3)ccc21 481101104 FULRAVGYYZOYAL-UHFFFAOYSA-N 430.552 5.266 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cc(Cl)ccc2SC)nnc1-c1ccco1 481123548 YFQTUBIPEOLSHK-UHFFFAOYSA-N 434.974 5.220 30 20 IKED CC(C)CN(C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@H]1CCCc2cccnc21 481261398 RTVBZJPUCSXKTJ-NRFANRHFSA-N 448.958 5.360 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)nnc1-c1ccccc1C 481368001 FAKAQTRWQUEJFQ-AWEZNQCLSA-N 430.936 5.351 30 20 IKED CCCCn1ncc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1C(C)C 482750928 WYVYIRONCNVZBF-UHFFFAOYSA-N 432.572 5.453 30 20 IKED C=C(C)COc1cc(CN2CCC(c3noc(-c4ccccc4OC)n3)CC2)ccc1OC 483446034 HLNSSGZTJHWJBK-UHFFFAOYSA-N 449.551 5.088 30 20 IKED CC(C)(C#N)c1ccc(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)cc1 484581364 FYVXTYNPTNCCMJ-UHFFFAOYSA-N 427.327 5.021 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N[C@H](c3cccc(F)c3)c3ccccn3)c2)cc1 498886726 LQPIGEPMBLNLHP-AREMUKBSSA-N 437.474 5.191 30 20 IKED CCOCCOc1ccccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 499164288 LQHQYJLRGYTZLD-GOSISDBHSA-N 426.925 5.369 30 20 IKED Cc1cc([C@@H](C#N)C(=O)c2cc(-c3nc4ccccc4s3)nc3ccccc23)nc(C)n1 505306874 YCDWLNNZVNHDQP-GOSISDBHSA-N 435.512 5.408 30 20 IKED C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)N3CCN(c4ccccc4C#N)CC3)c2)C1 508274590 MZWAHLLLZMYPJW-YKSBVNFPSA-N 432.568 5.008 30 20 IKED C=CCn1c(SC[C@H](O)COc2cccc3ccccc23)nnc1-c1cccc(C)c1 508401954 MCSNRNUVJIIWCG-OAQYLSRUSA-N 431.561 5.125 30 20 IKED C=CCOc1cccc(NC(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)c1 509101049 UMTQRPOLYQEGAJ-UHFFFAOYSA-N 444.915 5.918 30 20 IKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc([N+](=O)[O-])c1 511354753 GNDDASRZNJRVHQ-QGZVFWFLSA-N 430.464 5.123 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)COc1ccc(Br)cc1C(C)=O 518583325 RORQJVUKWPHQHE-UHFFFAOYSA-N 430.342 5.521 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)CCCCc2nc3ccccc3s2)CC1 518922376 NCGBBJWXUXHBBT-UHFFFAOYSA-N 433.577 5.387 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1(c2ccccc2)CCCCC1 520931350 BXXCFDCLWXLIPO-LJQANCHMSA-N 435.593 5.038 30 20 IKED CC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)c12 521016290 YNTHYYROLNFHHG-KRWDZBQOSA-N 429.307 5.525 30 20 IKED Cc1occc1C(=O)Nc1cc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)ccc1F 521418377 IUIMTYIYRLZKOY-UHFFFAOYSA-N 434.471 5.294 30 20 IKED C[C@@H](COCC(F)(F)F)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 521465968 CYDNFRGPYFWGKH-GUYCJALGSA-N 425.838 5.084 30 20 IKED COCc1cccc2sc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)nc12 522303784 YPCUEAQMJATDCJ-UHFFFAOYSA-N 429.501 5.146 30 20 IKED Cc1cc(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)ccc1Oc1ccc(Cl)cc1Cl 522376984 OZNZAJUONIYDDT-JOCHJYFZSA-N 440.330 5.282 30 20 IKED N#Cc1cc(NCc2cc(F)cc(F)c2)cc(NCc2cc(F)cc(F)c2)c1[N+](=O)[O-] 522900619 MOJAXEDBQSZONC-UHFFFAOYSA-N 430.361 5.247 30 20 IKED Cc1ccc2c(C3=CCN(C(=O)Nc4cccc(C#Cc5ccccn5)c4)CC3)c[nH]c2c1 523590827 FTWWHCSISSUQJX-UHFFFAOYSA-N 432.527 5.592 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)Nc3ccc(Cl)cc3)cc2Cl)c1 524141681 UJDHQTCFCFPIRO-UHFFFAOYSA-N 440.286 5.021 30 20 IKED CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1 524500401 LPGWOIDDZNFUHS-UHFFFAOYSA-N 441.531 5.308 30 20 IKED C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c2)C1 524656816 UOARMEGHMFUDOX-NLFFAJNJSA-N 447.579 5.729 30 20 IKED Cc1cc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)ccc1Br 534508102 WGCXVNSTLVHIBB-UHFFFAOYSA-N 445.367 5.025 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N[C@@H]3CCO[C@@H]3c3ccc(F)c(F)c3)cc2)cc1 537249818 XHRAZKFNPRXYMH-DNQXCXABSA-N 434.442 5.083 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C(=O)OC)c1ccccc1C(F)(F)F 541172844 HXCZJMZVFRACIG-IBGZPJMESA-N 447.482 5.080 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)cc1 542349154 GEWOPWQWJIWGGI-DEOSSOPVSA-N 440.934 6.064 30 20 IKED N#Cc1cc(F)cc(C2(C(=O)N[C@@H]3CCCc4sc(-c5ccc(F)cc5)nc43)CC2)c1 552148178 SLKGFKRPVSIHPW-LJQANCHMSA-N 435.499 5.185 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nccn1-c1ccc(Cl)cc1 552969008 FZQGKCRBSQLZKC-HNNXBMFYSA-N 442.997 5.651 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)c1 553738452 WLFGOBCDAZPMHC-UHFFFAOYSA-N 443.478 5.370 30 20 IKED CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)c2cccs2)cc1 559482128 MWPPMBWPLPCKIA-HOOSLVGPSA-N 445.588 5.216 30 20 IKED CC(=O)N(c1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1)[C@@H]1C[C@@H]1C 563563741 DKMKEYUXWQKNIP-HFJWLAOPSA-N 439.515 5.151 30 20 IKED N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 568915070 LRJOYWBMSSDZMH-INIZCTEOSA-N 437.343 5.120 30 20 IKED CSC[C@@](C)(C#N)NC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1 584744535 FCVYZGGBZNUMLY-OAQYLSRUSA-N 430.982 5.754 30 20 IKED Cc1c(C(=O)Nc2ccc(F)cc2C(F)(F)F)cnn1-c1cccc(C(F)(F)F)c1 590253222 YIUUJCRXJMVOHJ-UHFFFAOYSA-N 431.311 5.610 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)cn2)c1 604335807 BHOCNKRRLVFVBJ-UHFFFAOYSA-N 446.466 5.449 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)N(CCc2ccccc2)Cc2ccncc2)c1 604563111 NYSZCPDAYYBBPN-UHFFFAOYSA-N 447.538 5.417 30 20 IKED COc1ccc2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)c(C)nc2c1 609072305 IMHIAPFWPKNGGM-UHFFFAOYSA-N 437.499 5.563 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCCCOc1ccc(Cl)cc1Cl 609401992 QTOKIEVVZJLWJG-CQSZACIVSA-N 438.380 5.836 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@@H]3CCOc4ccccc43)c2)cc1 609422545 YYIMQDUYZIEDGJ-NRFANRHFSA-N 427.504 5.019 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)c1 609630835 UKGBKMAQFTXEKN-FQEVSTJZSA-N 445.950 5.047 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N3CCC(c4c[nH]c5ncccc45)CC3)c2)c1 609660368 DDOOHVHSQFDAPF-UHFFFAOYSA-N 436.515 5.033 30 20 IKED Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)CSc1ccc(C#N)cc1 609980292 BMXCXTMKCPINFF-UHFFFAOYSA-N 430.508 5.290 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)Nc3ccc(C(C)(C)C#N)cc3)s2)cc1 610093007 LWIOXJIQIMMKPV-GOSISDBHSA-N 432.593 6.453 30 20 IKED CCCOc1ccc(Oc2ncccc2CNC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1 610357091 HBOHIVCNGHXBEJ-SFHVURJKSA-N 430.508 5.095 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(OCc2ccc(F)cc2)CC1 611261375 SLPYFWJZVZWIFK-QGZVFWFLSA-N 427.545 5.433 30 20 IKED O=C(NCCc1ccc(C(F)(F)F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618499406 SKQYOBBADQGSEF-CHWSQXEVSA-N 436.318 5.020 30 20 IKED N#Cc1ccc(N2CCC(NCc3ccc(-c4ccccc4Br)cc3)CC2)nc1 619747603 QDXIBWOIJURMCL-UHFFFAOYSA-N 447.380 5.141 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2ccc(F)cc2)CCCCC1 619901948 VIFIGTYQUVLHMW-QLPKVWCKSA-N 439.415 6.053 30 20 IKED O=C(c1cc(F)c(C(F)(F)F)c(F)c1)N1CCC(c2nc(C(F)(F)F)cs2)CC1 622639939 ZDZRMTPPJOGNEL-UHFFFAOYSA-N 444.347 5.479 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 642050596 URJYKRKNMZWCGB-QGZVFWFLSA-N 441.000 5.405 30 20 IKED N#C[C@H](C(=O)c1ccc2c(c1)CCCC(=O)N2)c1nc2cc(C(F)(F)F)ccc2s1 642282257 XZGKUXOIENJVQY-CQSZACIVSA-N 429.423 5.080 30 20 IKED C=CCN(Cc1csc(N(C(C)=O)c2ccccc2OC)n1)Cc1ccc(Cl)s1 674866057 ILYGRSFYIXVJIP-UHFFFAOYSA-N 448.013 5.739 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2ccc(F)cc2F)n1)c1nc2cc(C(F)(F)F)ccc2s1 680984801 CHCNSXOMCKLVDE-LBPRGKRZSA-N 448.376 5.269 30 20 IKED Brc1ccc(OCc2ccccc2)c(C=Nn2cnnc2-c2ccccc2)c1 725856268 HGACHFKHIXLJSK-UHFFFAOYSA-N 433.309 5.169 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C)c(C)c2)[n+]2ccc(CCC)cc2)c1 726572427 DSVVKEOCDULYPE-UHFFFAOYSA-O 427.593 5.848 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3cccc(OC4CCCC4)c3)n2)cc1 727955744 PNURDCSPVFGRMO-PZVJUEDKSA-N 444.556 6.030 30 20 IKED COc1ccccc1-c1nc(COC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cs1 728108859 GBUCRABQSCWUQD-UHFFFAOYSA-N 446.484 5.219 30 20 IKED CCCN(CCC)C(=O)c1cccc(C(=O)Oc2c(Cl)cc(C#N)cc2OCC)c1 728460115 IESYSFTZNJUTKO-UHFFFAOYSA-N 428.916 5.092 30 20 IKED CC(C)(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 729064338 HBGPGQQTDPAGNW-RUZDIDTESA-N 439.559 5.355 30 20 IKED N#C[C@H](C(=O)c1sc2cc(Br)ccc2c1Cl)c1nnc2n1CCCCC2 729891368 GMRWZUGBINFDPA-GFCCVEGCSA-N 449.761 5.125 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 730921214 WBAYTFNPYWTLOF-HSALFYBXSA-N 432.907 5.261 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(F)c(C(F)(F)F)c1 731075526 DPMJTPXUUAFQKI-GFCCVEGCSA-N 440.418 5.034 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)c1nc2cc(F)ccc2s1 732597481 GFGWDNJUYDZMGG-BHIFYINESA-N 442.515 5.994 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc3c4ccccc4n(C)c3s2)ccc1OC 733232284 RAFSRCGWXMSHGP-INIZCTEOSA-N 433.533 5.013 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@H]2c2ccccc2Cl)ccc1OC 733656677 OIVKGQSJNIGSLR-XLIONFOSSA-N 427.932 5.076 30 20 IKED CCCCC[C@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C(C)(C)C 734346661 VXTWAODDPZHSDJ-FQEVSTJZSA-N 426.561 5.134 30 20 IKED CN1CCC[C@H](CNC(=O)c2ccccc2SCC#N)[C@H]1c1ccc(C(F)(F)F)cc1 735477087 KWPBFUKTCAXCMV-DYESRHJHSA-N 447.526 5.134 30 20 IKED CCOc1cc(/C=C\C(=O)c2cncc(F)c2)ccc1OCCOc1ccc(F)cc1 737445689 FNWVHDXJGFCRTQ-OQFOIZHKSA-N 425.431 5.112 30 20 IKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740057922 MIKMLCVELZWUCO-WIOPSUGQSA-N 445.588 5.596 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](O)c2ccccc2Cl)cc1Cl 741061424 VTWITDHJMRPCLP-DENIHFKCSA-N 440.330 5.504 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 742526710 SHLWKKXUKSZEHR-CVDCTZTESA-N 435.568 5.199 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F 744027831 AURVCSKYACTKJK-QRVBRYPASA-N 432.426 5.208 30 20 IKED C=CCn1c(-c2ccco2)nn(CN(CC)Cc2cccc(Br)c2)c1=S 746027093 VUAZJGMZNHTZGN-UHFFFAOYSA-N 433.375 5.102 30 20 IKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 746660765 VAORTIUZHQVEEL-GAJHUEQPSA-N 437.465 6.586 30 20 IKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN(Cc2ccccc2C)C2CC2)c1=S 746711579 KAJZHMZTUOQSCR-HSZRJFAPSA-N 448.592 5.043 30 20 IKED Cc1ccc(-c2ncc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)s2)c(C)c1 747111539 BHRYVSLYBAFFRS-KRWDZBQOSA-N 444.343 5.695 30 20 IKED Cc1nc(C(C)(C)C)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 747112101 PKSDSCCHABYWBS-QGZVFWFLSA-N 433.533 5.503 30 20 IKED COc1ccccc1N1CCC(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 747533886 VPRGILQLRZEYLC-XMMPIXPASA-N 440.547 5.141 30 20 IKED COc1c(C)cnc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C 747979320 YXCIRSSPEUOGAJ-FQEVSTJZSA-N 434.927 5.338 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(Cc3ccc(F)cc3)CC2)cc1 750689446 HQUMCFNEBBMEBZ-SANMLTNESA-N 427.523 5.968 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N2CCCCC[C@H]2C[C@H](O)c2ccco2)c1 752106757 NKMLFERWSBZGIZ-ZEQRLZLVSA-N 444.531 5.239 30 20 IKED N#CCSc1ccccc1C(=O)Nc1nc(Cc2ccccc2Br)cs1 752913742 ZFVDLNXYAKJTRI-UHFFFAOYSA-N 444.379 5.364 30 20 IKED O=C1NC(=Nc2cccc(C(F)(F)F)c2)S/C1=C/c1cnc(-c2ccncc2)s1 753135356 OTHSVWGDVFYGAZ-OQLLNIDSSA-N 432.452 5.116 30 20 IKED C/C(=C/C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1OC(F)F 753195882 OHHOLERMEOGVDL-CIYHXPSUSA-N 445.350 5.717 30 20 IKED N#CC1CCC(COC(=O)Cc2csc(-c3cc(Br)cs3)n2)CC1 755978053 XWVIEKSNFWVPQZ-UHFFFAOYSA-N 425.373 5.050 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@H]2c2ccc(C(C)C)cc2)ccc1OC 759434501 BIOIXMPXQHQRIX-PKTZIBPZSA-N 435.568 5.546 30 20 IKED N#Cc1ccc(N2C(=O)/C(=C\c3ncccc3C(F)(F)F)SC2=S)cc1Cl 765513682 QKFGEQPFRPOBNY-VGOFMYFVSA-N 425.844 5.031 30 20 IKED COc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2cncc(Br)c2)CC3)cc1 767363267 YHQATPQHPPHDMI-RIYZIHGNSA-N 427.323 5.189 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)c1=S 767504183 DXGJXOBANGOSKI-KRWDZBQOSA-N 445.514 5.128 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CCCC[C@H]2c2ccc(F)cc2F)c1=S 769852918 LNEPFUWYIGRWRM-NRFANRHFSA-N 441.551 5.515 30 20 IKED C#CCN1CCC(c2nc(-c3ccc(Oc4cccc(Cl)c4Cl)nc3)no2)CC1 770878584 FINYXTNFFLTYFZ-UHFFFAOYSA-N 429.307 5.043 30 20 IKED CC(C)Oc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1C#N 772149515 BTUJJDLRGLFVRZ-DEOSSOPVSA-N 426.472 5.052 30 20 IKED CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)c1 772985694 WLNJYTOFIOFMLI-YWZLYKJASA-N 425.985 6.304 30 20 IKED Cc1nc(CCC(=O)O[C@@H](C#N)C2CCCCC2)oc1-c1ccc(Br)cc1 776386853 NIPVUJAHAXGCOD-SFHVURJKSA-N 431.330 5.361 30 20 IKED CC(C)CN(Cc1ccccc1Br)C(=O)Nc1ccccc1O[C@@H](C)C#N 780672641 GOAZUUQYIPVWBH-INIZCTEOSA-N 430.346 5.430 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)cc1OC 782119367 PXZPQEPQMSRKTM-ZRDIBKRKSA-N 443.425 5.116 30 20 IKED C#CCn1ccc(CN(CC)C(=O)N[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)n1 788888669 BDCJHULKFWSGMT-JOCHJYFZSA-N 441.362 5.144 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3cc(Br)ccc3C2)cc1 792227902 DPTUHQPJSNXDTD-QHCPKHFHSA-N 446.348 5.695 30 20 IKED Cc1c(C(=O)N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)sc2ccc(C#N)cc12 794412765 JATFNSJSDFMPDL-UHFFFAOYSA-N 441.597 5.191 30 20 IKED CC(C)(C#N)c1ccc(C(=O)OCc2nc(O)c3c(-c4ccccc4)csc3n2)cc1 796747106 WUOQZITVZNGLBX-UHFFFAOYSA-N 429.501 5.222 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3sc4ccc(C#N)cc4c3C)n2)cc1 796774654 MWPMRHMEZWENJD-GOSISDBHSA-N 429.526 5.704 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)n2)cc1 796800320 WYUIADQNBAZHPZ-HXUWFJFHSA-N 444.535 5.222 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OC 798109294 QYXDCBJANPCMAY-TXPKVOOTSA-N 448.350 5.038 30 20 IKED COc1cc(CNc2ccc(OC(F)(F)F)c(C#N)c2)ccc1OCc1ccncc1 799348200 CALWKIDVIDDGHR-UHFFFAOYSA-N 429.398 5.052 30 20 IKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 802042403 QQWXUBSKUHNJKO-CABCVRRESA-N 433.188 5.370 30 20 IKED C[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1ccc(S[C@@H]2CCCCNC2=O)cc1 809049667 ZXMJLBCPHNSVNF-AVCGJXAMSA-N 436.577 5.139 30 20 IKED N#Cc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)c(C(F)(F)F)c1 811692666 YGYJGFZCDWXMDZ-FMIVXFBMSA-N 433.451 5.189 30 20 IKED C#C[C@@H](NC(=O)N1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1)c1ccc(F)cc1 812935212 ZUIHOVATELWMIN-WIYYLYMNSA-N 449.551 5.221 30 20 IKED N#C[C@H](C(=O)CCCC(=O)c1ccc(Br)cc1)c1cc(C(F)(F)F)ccn1 813216006 MQWVNWTWHKPZIM-HNNXBMFYSA-N 439.231 5.092 30 20 IKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@H](C)c3cccnc3)C2=O)cc1 837518186 YISWHHNCEOZYRS-GCJKJVERSA-N 444.560 5.112 30 20 IKED N#C[C@H](C(=O)COC(c1ccccc1)c1ccccc1)c1nc2ccccc2n1C(F)F 915106320 BAWVUGPJJHYMPW-LJQANCHMSA-N 431.442 5.414 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc3c(C(F)(F)F)cc(O)nc3o2)cc1 915199536 DYQPHLDKZZPLNM-QGZVFWFLSA-N 437.377 5.460 30 20 IKED CCOc1cc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)cc(Br)c1O 915849055 RGKHCZYMXREVDD-MHWRWJLKSA-N 447.354 5.062 30 20 IKED COc1ccc(-c2csc3ncnc(NN=C(C)c4ccc5c(c4)CCC(=O)N5)c23)cc1 915952680 VCIVDDHNDCHQFZ-UHFFFAOYSA-N 443.532 5.088 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 916905947 OMSVUXAQPMEBGG-HXUWFJFHSA-N 444.874 5.626 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c4ccccc4n(C)c3s2)cc1Cl 916939986 JUTSDZPCKKDDJG-OAHLLOKOSA-N 437.908 5.016 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(COc3ccccc3OC)o2)cc1 916947919 CDDISRPUUHVRBT-UWJYYQICSA-N 446.503 5.342 30 20 IKED Cc1nn(-c2ccccc2)c(Cl)c1C=NNc1nc(C(F)(F)F)nc2ccccc12 917215594 VUAGQARBANNZQM-UHFFFAOYSA-N 430.821 5.242 30 20 IKED C=CCOc1ccccc1CN(C(=O)CSc1nncs1)c1ccc(C)c(C)c1 917614608 YKARNGOHYANDIE-UHFFFAOYSA-N 425.579 5.045 30 20 IKED O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@H](OCC(F)(F)F)C1 917751202 DTKIMRWEOKRILA-XGACYXMMSA-N 449.313 5.307 30 20 IKED Fc1ccc(-c2nn(CN3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c(=S)o2)cc1 918735061 LPOJLUAHQOOWCH-QWRGUYRKSA-N 429.361 5.032 30 20 IKED C[C@@H](OC(=O)CSCc1ccc(C#N)cc1)C(=O)Nc1ccccc1Oc1ccccc1 919207036 MOYDXOGEGFTAHE-GOSISDBHSA-N 446.528 5.154 30 20 IKED C=CCn1c(CCN2CCCCC2)nn(CN2CCC[C@H]2c2ccc(C)c(C)c2)c1=S 920485592 UJCMOPJTBXGYNB-QHCPKHFHSA-N 439.673 5.040 30 20 IKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1 921131596 MDIUSCPWUIQRBO-LBPRGKRZSA-N 436.345 5.448 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccc(O)cc4Cl)CCC3)cc2)C1 1785810447 LBEBMLCMLWWDRX-ONNFQVAWSA-N 436.939 5.159 30 20 IKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CCc4cccc(C#N)c4)CCC3)cc2)c(C)o1 1787341992 GEEWEBBSZVMROQ-UHFFFAOYSA-N 441.531 5.149 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccccn34)cc2)CCC1 1788992046 RHCVGVFSMBXFPD-UHFFFAOYSA-N 430.552 5.074 30 20 IKED CC(C)=CCCC(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1790450798 CRHOZCSAAYBTMB-BUHFOSPRSA-N 436.577 5.368 30 20 IKED C#CC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)c3ccccc3n4CC)CCC2)cc1 1791202466 LIHBDUCESNOQSB-UHFFFAOYSA-N 435.527 5.195 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cccc(Cl)c3OC)cc2)CCC1 1792147904 MDXFXMRSFLXBNP-UHFFFAOYSA-N 438.955 5.290 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3cnccc3c2)[nH]n1 1814442961 DMOAWNXRTZMNCE-QFIPXVFZSA-N 445.567 5.256 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2)[nH]n1 1814830108 PCJQYRZIGHPMQF-FQEVSTJZSA-N 426.948 5.137 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3cc[nH]c23)n[nH]1 1818768085 IUEZYDNIGQUDHZ-HXUWFJFHSA-N 433.556 5.189 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)[nH]n1 1819307339 SAARXDODRWBCLU-PGRDOPGGSA-N 449.530 5.104 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ccncc23)[nH]n1 1819309229 PFUNVKRBLZLCPM-AUSIDOKSSA-N 443.551 5.032 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@]3(C)CC=CCC3)n[nH]2)c1 1822980460 HUMIDHNSNJYCHW-NDKUEENFSA-N 445.567 5.089 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](C)c3ccc(Cl)cc3)CC2)C1 1823698132 JFGRDUCVTSDLPP-MBSDFSHPSA-N 429.004 5.029 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCC(C(F)(F)F)CC2)CC1 1824828103 YKRMESFNVKJUMD-VWEINGBSSA-N 442.566 5.187 30 20 IKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/Sc2ccc(C)cc2)CC1 1828880477 YJSIHNSWPIFAAP-YEZCMDQSSA-N 438.637 5.024 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc(F)cc(F)c2)CC1 1829067035 APYPSUPXWSBLRV-QHCPKHFHSA-N 446.582 5.119 30 20 IKED C=CCn1c(SCc2ncc(-c3ccc(Cl)cc3)o2)nnc1-c1ccc(OC)cc1 10405839 VJEVNWAVBPKFPM-UHFFFAOYSA-N 438.940 5.740 30 20 IKED Cc1cccc(C)c1N/C(S)=C(/C(=O)c1ccc(Cl)c(Cl)c1)[n+]1cccc(O)c1 11153259 KOOBNNZWILSWAO-UHFFFAOYSA-O 446.379 5.654 30 20 IKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccccc2F)cc1 11170034 JDRQGRJBWHWUGM-UHFFFAOYSA-O 443.514 5.740 30 20 IKED C=CCn1c(SCc2nc(-c3ccc(CC)cc3)no2)nnc1-c1ccc(OC)cc1 17710113 XBVLDTMKVRFUGR-UHFFFAOYSA-N 433.537 5.044 30 20 IKED C=CCn1c(SCC(=O)N(CC)Cc2cccc(F)c2)nnc1-c1ccc(Cl)cc1 18972553 LHUQWQJVCIKQED-UHFFFAOYSA-N 444.963 5.064 30 20 IKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)NCc2ccccc2)cc1 22730684 KCMHJIUUUQQBBX-UHFFFAOYSA-O 439.551 5.278 30 20 IKED COc1ccccc1N/C(S)=C(/C(=O)c1cc(C)[nH]c1C)[n+]1ccc(C(C)(C)C)cc1 23580407 DULVZUZKSKMMHP-UHFFFAOYSA-O 436.601 5.276 30 20 IKED N#Cc1cccc(COc2cccc(NC(=O)CCCc3nc(-c4cccs4)no3)c2)c1 31776449 KFPQEAQSBOYCPG-UHFFFAOYSA-N 444.516 5.210 30 20 IKED CC[C@H](C)c1ccc([C@@H](NC(=O)c2cc(C#N)c(SC)nc2O)c2cccs2)cc1 31892887 MDVCNYMCLQDCEP-VBKZILBWSA-N 437.590 5.475 30 20 IKED C[C@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 36023186 OYGOCTVNGOYEQY-VOMLJKFNSA-N 448.592 5.158 30 20 IKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)nnc1C1CC1 36189313 CEINTSHWTKCFKL-HXUWFJFHSA-N 438.984 5.775 30 20 IKED C=C(C)CN(CC)C(=O)CSc1nnc(Nc2ccc(SC(F)F)cc2)s1 36795956 YXQPDVIPTCHUMJ-UHFFFAOYSA-N 430.571 5.113 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)cc1 58910450 FRUDYSAMOKBSFA-UHFFFAOYSA-N 427.357 5.221 30 20 IKED C/C=C\c1ccc(OCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c(OC)c1 106115845 HCGZUVRSBSAJEY-XQRVVYSFSA-N 429.476 5.113 30 20 IKED CCN(C(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1)[C@@H](C)c1ccc(C#N)cc1 220105998 MBVAQYHMPUWBHX-SFHVURJKSA-N 428.561 5.550 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(C)n(-c3nccs3)c2C)cc1 303093291 DUWBFFGHRIEBCK-UHFFFAOYSA-N 444.516 5.476 30 20 IKED Cc1[nH]c2ccccc2c1C1CCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 303351071 FCTMODKJWITAMS-SFHVURJKSA-N 446.620 5.546 30 20 IKED N#Cc1c(NC(=O)CCN2CCSC[C@@H]2c2ccccc2)sc2c1CCCCC2 303742184 YQQGTMQAGWOYPQ-HXUWFJFHSA-N 425.623 5.007 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(OCC3CC3)nc2)cc1Cl 409618945 LZTWCDWVAWEVTJ-QFIPXVFZSA-N 446.938 5.501 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(Cn3ccnc3)c2)cc1Cl 410346287 HMYLBQDCDAWJGF-HSZRJFAPSA-N 426.907 5.493 30 20 IKED Cc1c(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)sc2ccc(C#N)cc12 428166210 NAHFWFAUBMZDIM-UHFFFAOYSA-N 436.430 5.751 30 20 IKED CC(C)(C)c1n[nH]c(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1 432841285 ULCIXGPSYJPBCS-LBPRGKRZSA-N 448.333 5.533 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)[C@@H]2OCCc3sccc32)cc1 432852092 LXLVILYVZVELJO-CMJOXMDJSA-N 449.532 5.245 30 20 IKED C=CCC[C@@H](NC(=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1)c1ccccc1 435763651 RBAHAKVOWKYUPZ-AUSIDOKSSA-N 438.547 5.076 30 20 IKED CC(C)N(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 437040294 SVZPPJJUACXMKY-MRXNPFEDSA-N 429.973 5.110 30 20 IKED COc1cccc(O[C@H](C)CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 437960905 JAINRASBKAWWIC-LJQANCHMSA-N 445.519 5.043 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCCN(c3ccccc3)CC2)cc1F 438666151 PGLBUKHBCVTGGJ-UHFFFAOYSA-N 430.483 5.234 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)Nc1cccc2ccccc12 439528893 FTHHQKWLUHIJTC-UHFFFAOYSA-N 435.483 5.176 30 20 IKED C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 441398766 IHHTWNUKEFATNC-ZACQAIPSSA-N 444.000 5.323 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1 442257240 MXSBZDOPJQINNM-UHFFFAOYSA-N 448.504 5.306 30 20 IKED COc1ccc(Oc2cc(CNC(=O)c3cn(CCCC#N)c4ccccc34)ccn2)cc1 444037580 GDVYTQJTXBMBJW-UHFFFAOYSA-N 440.503 5.071 30 20 IKED CCc1ccc([C@H](N[C@H](CC)c2ccc(C#N)cc2)c2cccc(S(C)(=O)=O)c2)cc1 447541956 HRNSPAAMUARXHI-FTJBHMTQSA-N 432.589 5.354 30 20 IKED C=CCN(C(=O)[C@@H]1CCN(C(=O)CC)C1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 448170567 QPIGDXGHDJBXDQ-JOCHJYFZSA-N 445.588 5.255 30 20 IKED C=C(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H]1c1ccc(COC)o1 460786950 NTPHPVWIVOCGMO-QHCPKHFHSA-N 443.551 5.459 30 20 IKED N#Cc1cnc2ccc(Cl)cc2c1N1CCO[C@@H](c2ccc(Br)cc2)C1 462373329 VUZUDTONALDAAP-LJQANCHMSA-N 428.717 5.100 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(Cl)c2ccccc12 462967959 RVTDGSZBWNGYCW-GFCCVEGCSA-N 445.828 5.200 30 20 IKED C[C@H](CCc1cccc(F)c1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 463172143 RPTKKWJIRMXZJR-CQSZACIVSA-N 426.542 5.049 30 20 IKED C[C@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(Br)c1 463459801 BNZNSVXTJWOJJO-KRWDZBQOSA-N 449.348 5.836 30 20 IKED N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1cc(C(F)(F)F)ccn1 464419974 OLCMHJAFNZKRCP-QGZVFWFLSA-N 427.338 5.291 30 20 IKED O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccc(CCC(F)(F)F)cc1 464726703 JAYOZZLYIBYONX-UHFFFAOYSA-N 445.338 5.777 30 20 IKED CC(C)(C)Cc1nc(-c2cccc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c2)no1 464940915 MMEPQZYDVDNTTJ-YADHBBJMSA-N 428.536 5.237 30 20 IKED COCCN(Cc1ccc(F)cc1Cl)C(=O)c1cn(CCCC#N)c2ccccc12 469369290 LBGJEEAYDVPLPD-UHFFFAOYSA-N 427.907 5.026 30 20 IKED Cc1ccc(C#N)cc1NC(=O)c1cc(I)c(Cl)cc1Cl 469531782 VRUMFQLXUAGICJ-UHFFFAOYSA-N 431.060 5.030 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccccc3CCC(F)(F)F)ccc21 469955450 FTUSEETUKZTIOH-UHFFFAOYSA-N 429.442 5.017 30 20 IKED Cc1ccc(C)c([C@H]2CCCN2C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 470538904 TWVFCMXYHNBIAE-XMMPIXPASA-N 430.552 5.255 30 20 IKED Cc1ccc([C@H](NCCC(=O)Nc2sc3c(c2C#N)CCCCC3)c2ccccn2)cc1 471074284 LEEPYRYMYJINMT-VWLOTQADSA-N 444.604 5.300 30 20 IKED C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CCCN(c2ccccc2C#N)CC1 472650655 NFJBUHYJBYBKPW-HNNXBMFYSA-N 442.350 5.188 30 20 IKED C[C@@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@H]1c1cccc(F)c1 472694772 UTUNRWIICRQXRT-MZNJEOGPSA-N 442.494 5.565 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@]3(C2)OCc2ccccc23)cc1 480801915 FKKXGRCRUAISGP-SANMLTNESA-N 425.488 5.404 30 20 IKED N#CC1(F)CCN(C(=O)Nc2ccc(Cl)cc2-c2cccc(Cl)c2Cl)CC1 483906596 OPVLQXCXHTXRQC-UHFFFAOYSA-N 426.706 6.173 30 20 IKED C[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc2ncsc2c1 486519948 OPSSTLOBLBZKRX-HNNXBMFYSA-N 441.516 5.303 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(OCc4cccs4)c3)s2)cc1 487387625 LTVKNSMYMGARIM-UHFFFAOYSA-N 431.542 5.498 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)nnc1-c1cccc(OC)c1 488912091 PIZRCXYZUUKMBE-CYBMUJFWSA-N 446.935 5.052 30 20 IKED Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1occc1COc1cccc(C#N)c1 489282814 DCBYKODTTJOZPE-UHFFFAOYSA-N 438.896 5.098 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ccc(S[C@@H](C)CC)cc1C 499005487 SXUSDESZPWRVAD-SFHVURJKSA-N 426.582 5.048 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 500342943 KOJKEAIXGQTAGG-ZDUSSCGKSA-N 428.275 5.458 30 20 IKED C=CCN(C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)c1nc(C(=O)OCC)cs1 501912433 IRCLTXXIOXFZOG-ZDUSSCGKSA-N 426.460 5.051 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)Nc3ccc(NC4CCOCC4)cc3)cc2)c1 503189777 IEPPPDDIFNXQSM-UHFFFAOYSA-N 428.492 5.585 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCCc2nc(C(C)(C)C)no2)cc1 505622331 OZDIBMMSVYMAQZ-UHFFFAOYSA-N 434.496 5.001 30 20 IKED CCn1ncc2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)c(C)nc21 507613441 BQVNNBDAOITODX-UHFFFAOYSA-N 445.910 5.116 30 20 IKED C=CCn1c(C(C)C)nnc1N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 508739160 JKSFEZNTAFHNFM-INIZCTEOSA-N 448.411 5.203 30 20 IKED C=CCn1c(C(C)C)nnc1N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 508739161 JKSFEZNTAFHNFM-MRXNPFEDSA-N 448.411 5.203 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CCC)[C@@H](C)c2cc3ccccc3o2)cc1 510995142 IMTPKPUPRGWHKL-FQEVSTJZSA-N 445.563 6.252 30 20 IKED C=CCN(Cc1cccs1)C(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 512452951 YFKNDDBJOBMDRR-UHFFFAOYSA-N 430.982 5.852 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 513020460 PQPKIKYIUAUFFV-UHFFFAOYSA-N 446.347 5.413 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 514960396 ZJINONIPHHJZIZ-LBPRGKRZSA-N 441.553 5.480 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl 515635039 ZROXIAMYIFWRBZ-UHFFFAOYSA-N 434.304 5.162 30 20 IKED C[C@@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)NC(=O)c1ccccc1 517821511 RFCHKOJCTBVOJE-JTSKRJEESA-N 431.923 5.143 30 20 IKED N#C[C@H](C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1nc(-c2c(F)cccc2F)cs1 518872707 YXQJLPXTLOMRRE-DLBZAZTESA-N 440.471 5.136 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1CN1CCCC[C@@H]1C 520195998 UDQGIJHQXTXLNL-PMACEKPBSA-N 436.625 5.777 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(COc4ccc(C#N)cc4)c3)n2)cc1 522479525 CRTRCXMDRJEFDR-XMMPIXPASA-N 449.535 6.059 30 20 IKED COc1cc(CSc2nc(-c3ccc(C)cc3)n[nH]2)ccc1OCc1cccc(C#N)c1 522573265 KXPSPUAILFBDAK-UHFFFAOYSA-N 442.544 5.532 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc(CN3CCCC3=O)cc2)c1 522635361 GLWDOCWLMZIASX-UHFFFAOYSA-N 445.906 5.379 30 20 IKED CC(C)c1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cnn1-c1ccccn1 524390403 ITDXJIWZJCZOFY-UHFFFAOYSA-N 437.503 5.094 30 20 IKED CCO[C@@H](C)c1nc(CSc2nc3ccccc3c(=O)n2-c2ccc(C#N)cc2)cs1 525110099 RQKTWMCTVZNORZ-HNNXBMFYSA-N 448.573 5.104 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)N[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 525761314 VSMDMDRQKBCPLI-WMZOPIPTSA-N 436.556 5.244 30 20 IKED N#Cc1cccc(-c2nnc(CN3Cc4cc(Cl)ccc4C[C@@H]3c3ccccc3)o2)c1 531782273 MVNCJDCPLTXUKG-HSZRJFAPSA-N 426.907 5.561 30 20 IKED CC(=O)c1ccc2c(c1)CCN(C(=O)c1ccccc1SCc1ccc(C#N)cc1)CC2 533696821 INDOFUZYKGRHOJ-UHFFFAOYSA-N 440.568 5.294 30 20 IKED C[C@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(OCc2cccnc2)cc1 536619933 KKPKRUAODWDYCO-FQEVSTJZSA-N 438.531 5.092 30 20 IKED CC(C)(C)c1cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c(C#N)s1 538074036 SAUACXCPQQQPLL-UHFFFAOYSA-N 427.404 5.019 30 20 IKED N#CCCn1cc(/C=C/c2nc(-c3ccccc3Oc3cnccn3)no2)c2ccccc21 547091098 CKSNHKLMEJJFNB-ZHACJKMWSA-N 434.459 5.358 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)[C@H]1OCCc2sccc21 550226296 FTEVDQPBPGELLS-MZNJEOGPSA-N 432.545 5.396 30 20 IKED CC(C)[C@@H](c1ccccc1)N(C)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 558402032 YQVHNSJJGAABAB-DEOSSOPVSA-N 427.504 5.145 30 20 IKED CC(=O)N(Cc1ccc(NCc2cccc(OCc3ccccc3C#N)c2)cc1)C(C)C 560693494 KLWFPFJOZZEWAI-UHFFFAOYSA-N 427.548 5.506 30 20 IKED CN(CCC(F)(F)F)[C@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(Cl)cc1 569596340 BFLRFWUVCCIJKG-HXUWFJFHSA-N 449.904 5.250 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 574815951 CPOCPLQIRMMDEP-SUMWQHHRSA-N 438.380 5.633 30 20 IKED CCO[C@@H](c1noc(-c2cccnc2C(F)(F)F)n1)c1ccc(F)cc1C(F)(F)F 577918044 AWKYBTFJQXILMQ-CYBMUJFWSA-N 435.299 5.434 30 20 IKED C=CCn1c(S[C@@H](C(=O)OC)c2ccccc2C(F)(F)F)nnc1-c1ccoc1C 579634615 HEWGBMBRFZSLAN-MRXNPFEDSA-N 437.443 5.058 30 20 IKED C=CCn1c(Cc2ccccc2Cl)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 581100645 RHIPZLOYSFZUTH-HXUWFJFHSA-N 438.959 5.067 30 20 IKED Cc1c(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)nnn1Cc1ccccc1F 581357887 PSSVGIFSPCBDSE-UHFFFAOYSA-N 443.507 5.049 30 20 IKED CC(C)c1ccc(OC2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)CC2)cc1 584027910 KIIBLXJJVQXZNI-UHFFFAOYSA-N 429.564 5.752 30 20 IKED N#CCCC[C@H](NC(=O)N[C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)c1ccccc1 590072493 RHOSROKUZCFWRE-ROXDYWFKSA-N 430.596 5.021 30 20 IKED N#Cc1ccc(-c2csc(NC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)n2)cc1 590612933 DVBYDSUZNZUKBA-UHFFFAOYSA-N 436.443 5.186 30 20 IKED COc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 603690822 RECXSSRPLVZJIU-XMMPIXPASA-N 442.519 5.903 30 20 IKED C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 604445920 QAVCOJKTBRIXAO-VIZSFHNOSA-N 433.621 5.328 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2c(-c3ccccc3)ncn2C2CC2)c1 604544460 KHASHNSTFZAVKA-UHFFFAOYSA-N 434.499 5.588 30 20 IKED C=CCN(CC1CCCCC1)C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 606587245 BJTUYJSXJSBBRT-UHFFFAOYSA-N 425.598 5.621 30 20 IKED COc1ccc([C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c2ccc(F)cc2)cc1 608917987 HTUKCASHOGZHEV-VWLOTQADSA-N 431.511 5.416 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Cc2coc(-c3cccs3)n2)cc1 609262142 LYTVOPRJKYHUCT-UHFFFAOYSA-N 431.492 5.185 30 20 IKED COC(=O)c1ccc2c(c1)CN(C(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)C2 609317780 CSRXZEBZECVWDL-JOCHJYFZSA-N 445.906 5.330 30 20 IKED Cc1nn(-c2ccccc2)c2nc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)ccc12 609427481 CIRNMKFKYZFEJE-INIZCTEOSA-N 427.533 5.376 30 20 IKED N#C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1ccc(Cl)c(Cl)c1 609463711 RYABDFOIURPDFU-KRWDZBQOSA-N 436.751 5.694 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(CCO)CCc2ccccc2)cc1Cl 609578853 ZGBQYHYLPDFWEV-HSZRJFAPSA-N 433.939 5.064 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 609773438 CUEOHTOMLTXIJT-UHFFFAOYSA-N 443.347 5.699 30 20 IKED CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 610093690 SEPTVFPINDTEOU-VWLOTQADSA-N 428.536 5.732 30 20 IKED C[C@H](NC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)c1cccc(C#N)c1 610635894 NTMKSFXOXPATCX-AWEZNQCLSA-N 438.940 5.086 30 20 IKED CN(C(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1)c1ccccc1 611132126 CEETZCYFXMRPRG-UHFFFAOYSA-N 448.482 5.274 30 20 IKED C[C@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1Br)c1cccc(C#N)c1 611141210 PLGKFNPUEXWHNX-JTQLQIEISA-N 428.208 5.102 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)nc2ccccc21 665423656 XTFREIBVKMGKFS-GOSISDBHSA-N 431.565 5.144 30 20 IKED C=CCC[C@H](NC(=O)Nc1cnn(Cc2ccccn2)c1)c1ccc(C(F)(F)F)cc1 676755686 VCCPDSYKTMHHNK-FQEVSTJZSA-N 429.446 5.174 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nn1C1CCCCC1 678970611 UNUTXKXPMPHNQG-OAHLLOKOSA-N 432.471 5.815 30 20 IKED FC(F)(F)c1cc([C@H](NCc2noc3c2CCCC3)C(F)(F)F)cc(C(F)(F)F)c1 679951366 GCFHEPXMAFASGE-HNNXBMFYSA-N 446.313 5.984 30 20 IKED C=CCn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N(C)[C@@H](C)c1nc2ccccc2s1 685545532 TWIFBZGQDOOSRA-BXWFABGCSA-N 425.602 5.190 30 20 IKED C[C@H](Sc1nnc(Cc2cccs2)o1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 727268807 TZDANZHCZPRPBI-ITRAFESCSA-N 425.579 5.083 30 20 IKED CC[C@@H](c1ccccc1)c1nnc(S[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)o1 727690398 AEHJVICMAGTJQW-NQIIRXRSSA-N 434.565 5.347 30 20 IKED Cc1ccc(Nc2nn(CN3CCC(Oc4ccc(C#N)cc4)CC3)c(=S)s2)cc1 728903480 OXLDTPOHKLJIKC-UHFFFAOYSA-N 437.594 5.099 30 20 IKED COCCOc1cccc(F)c1C(=O)/C=C\c1cccc(NC(=O)c2ccc(OC)cc2)c1 729240796 ZGWBRLSNTPNBFM-ZROIWOOFSA-N 449.478 5.008 30 20 IKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 730687818 QAZRJPDBOKHBCY-MJBXVCDLSA-N 425.674 5.237 30 20 IKED O=C(/C=C\c1ccc(-c2cccc(Br)c2)o1)c1ccc(C(F)(F)F)nc1O 731562814 HADIRMXVGZXYBY-DAXSKMNVSA-N 438.199 5.725 30 20 IKED C#CCN(C(=S)Nc1cccc(C)c1C)[C@H]1CCOc2ccc(Br)cc21 733086552 KWVFLBIHDOHMEV-IBGZPJMESA-N 429.383 5.222 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 733623300 JNLQGJYECDVASB-UHFFFAOYSA-N 444.491 5.544 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H](c2ccccc2)C2CCOCC2)cc1 734648494 XFNYLJQHAFWPJA-RUZDIDTESA-N 427.504 5.640 30 20 IKED C[C@@H](OC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1nc(-c2cccnc2)no1 735165292 FXMXDPAIHQENTF-CQSZACIVSA-N 446.850 5.367 30 20 IKED COC(=O)[C@@H](N[C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C)c1ccc(C#N)cc1 739994996 OLFCIADBOMIUBW-YJYMSZOUSA-N 425.941 5.209 30 20 IKED COc1ccccc1-c1ccc(C(=O)/C=C\c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 741471334 ZFBHDDOZGXCYHK-SSZFMOIBSA-N 439.471 5.567 30 20 IKED Cc1ccc(F)cc1NC(=O)[C@@H](C)OC(=O)c1ccccc1SCc1ccc(C#N)cc1 741819950 PHMNWUBTXUAUHL-QGZVFWFLSA-N 448.519 5.482 30 20 IKED COCCN(C(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(C#N)cc1 741959729 ZRPRINNCCQXTQH-UHFFFAOYSA-N 449.757 5.482 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c(O)c1 743332472 DQEHGLZSPKZOEW-UHFFFAOYSA-N 446.463 5.050 30 20 IKED Cc1nc2sc3c(c2c(=O)n1N=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)CCCCC3 745985055 ZYOXJLUAOBKLIF-UHFFFAOYSA-N 448.504 5.086 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)NC1(c2noc(C3CCCC3)n2)CCCCCC1 747355031 XEGKLHUTNYSYQR-UHFFFAOYSA-N 441.507 5.140 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ccc(F)cc2C)cs1 750938069 BDLISPQKHOFSIL-UHFFFAOYSA-N 436.434 5.740 30 20 IKED Cc1ccccc1Cc1noc(CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)n1 751039741 SMSHSUGUOWXONL-UHFFFAOYSA-N 428.467 5.171 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)cc1C#N 752187461 DTFZIBHIFLKNMN-UHFFFAOYSA-N 446.511 5.139 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H](OC2CCOCC2)c2ccccc2)cc1 758410143 NQWKZPVARIFHOT-IZZNHLLZSA-N 426.516 5.217 30 20 IKED C#CCNC(=S)/C(=C(/O)c1ccc2c(c1)Cc1ccccc1-2)[n+]1ccc(C(C)(C)C)cc1 759054810 OQQSRAGFRSAMQO-UHFFFAOYSA-O 439.604 5.277 30 20 IKED CCOc1ccc([C@H](NC(=O)Cc2cccc(OCC#N)c2)c2cccc(Cl)c2)cc1 760597858 GRXPEUYMOBCLOE-VWLOTQADSA-N 434.923 5.089 30 20 IKED Cc1cc(C(=O)Nc2ccc(F)cc2OCC#N)c(C)n1-c1ccccc1Br 760977115 BHINZGSSNQYEPE-UHFFFAOYSA-N 442.288 5.150 30 20 IKED CCC(CC)(Cc1nc2ccccc2s1)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 762383564 JDIAVZPMGRQRSQ-OAQYLSRUSA-N 433.577 5.117 30 20 IKED O=C1O[C@@H](CN[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CC12CC2 763752286 ITTHUMNGIMCLCS-VXGBXAGGSA-N 435.286 5.013 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@@H]2c2ccc(OCC)cc2)c1=S 764861646 SGBFFVHBRNGPOV-JOCHJYFZSA-N 435.597 5.245 30 20 IKED COc1ccc(Br)c(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 768559473 BJGCSALUPOUHET-OAQYLSRUSA-N 435.321 5.294 30 20 IKED Cc1cc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c(C)n1[C@H](C)c1ccccc1 768891138 BAPKSFXOAODGJA-NNAHLOSHSA-N 442.563 5.101 30 20 IKED N#C[C@H](COC(=O)c1cc(Oc2cccc(Br)c2)ccn1)Cc1cccs1 772742754 MSWIWNREJSRHIE-CQSZACIVSA-N 443.322 5.237 30 20 IKED Cc1ccc([C@](O)(CC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C(F)(F)F)o1 773334854 TZVHHSXLNGUIFW-OAQYLSRUSA-N 430.382 5.031 30 20 IKED C=C(C)CN(C)Cn1nc(-c2cc(OC)c(OC)c(OC)c2)n(C2CCCCC2)c1=S 777959646 WKKTVXKDDASCQJ-UHFFFAOYSA-N 446.617 5.077 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(-n2cnc3ccccc32)cc1 778299179 VKWMXTKLLZQNHD-KRWDZBQOSA-N 449.297 5.293 30 20 IKED N#C[C@@H](C(=O)CCCCC(=O)c1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)cs1 778607624 YUVNZOZSISLVDL-IBGZPJMESA-N 440.927 6.222 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccccc2)nc2ccccc12 780306206 SEGHQYDRKDYWKM-NRFANRHFSA-N 435.483 5.262 30 20 IKED COc1ccc(C[C@H](C)C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1OC 781452795 MKPJDGWRZCNMNZ-ZFWWWQNUSA-N 442.487 5.161 30 20 IKED O=C1/C(=C\c2scnc2C2CC2)CC2(CCOCC2)C/C1=C\c1scnc1C1CC1 782340695 DHSMYLXHRJXSBM-BUOZRGFLSA-N 438.618 5.981 30 20 IKED N#CCOc1ccc(Cl)cc1COC(=O)c1cc(-c2ccncc2)nc2ccccc12 785426257 DBADMHQHWOHAFG-UHFFFAOYSA-N 429.863 5.210 30 20 IKED Cc1ccnc2sc(C(=O)[C@@H](C#N)C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)c(C)c12 786514055 TUSONVZLRCFMCX-IUODEOHRSA-N 446.359 5.420 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H](c2ccc(Br)cc2F)C2CC2)ccc1OC 794809624 GZAUGJPJHJWMNK-VGSWGCGISA-N 447.348 5.519 30 20 IKED CC(C)[C@@H](Oc1ccc(Br)cc1)c1noc(Cc2ccc(OCC#N)cc2)n1 795760107 NXJHXNAKPSTQJO-HXUWFJFHSA-N 442.313 5.101 30 20 IKED COc1cc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)ccc1C#N 799495170 OOOHFEICNVXVKR-NVNXTCNLSA-N 431.304 5.061 30 20 IKED Cc1cc(Cl)ccc1O[C@H](C(=O)OCCCC1(C#N)CCOCC1)c1ccccc1 800163188 BRWFAMYTWUHCRI-QFIPXVFZSA-N 427.928 5.412 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(F)c(C(F)(F)F)cc1F 804250734 QXEHAHNNABNPEP-BQBZGAKWSA-N 443.256 5.623 30 20 IKED CCCc1c(NC(=O)c2cc(F)c(C(F)(F)F)cc2F)cnn1-c1cccc(C#N)c1 804607760 VSBJNBKZPNUEFT-UHFFFAOYSA-N 434.368 5.246 30 20 IKED Cn1ccnc1COc1ccc(C(=O)/C=C/c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 811689189 ZBOPBHPAUSYZPN-QPJJXVBHSA-N 432.263 5.110 30 20 IKED C#C[C@H](NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)c1ccc(Cl)cc1 811962936 CWCUJJGREPASCL-ZFWWWQNUSA-N 427.879 5.079 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)O[C@H](c3nc4ccccc4o3)C(F)(F)F)o2)cc1 816063288 HSQZQWDLXIJIQY-LJQANCHMSA-N 442.349 5.332 30 20 IKED N#C[C@H](C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1 915098600 YSSNLTVBKNLYQS-CXAGYDPISA-N 444.343 5.084 30 20 IKED CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915352480 LEDGRTPTWUBEPF-IZZNHLLZSA-N 425.532 6.110 30 20 IKED CC(C)(C)c1ccc(OCc2ccc(C(=O)[C@H](C#N)C(=O)NC3CCCCC3)cc2)cc1 916893737 GNUNYLPJUJZRLS-DEOSSOPVSA-N 432.564 5.334 30 20 IKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cn(Cc2ccccc2)c2ccccc12 916923445 OTRWDPJRWBCXJN-OAQYLSRUSA-N 437.499 5.049 30 20 IKED N#C[C@H](C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1nc2ccccc2n1C(F)F 917040276 JQITVBSNCJGCAY-HRCADAONSA-N 448.498 5.967 30 20 IKED C[C@@H](Sc1ccccc1Cl)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042392 BHWNZYFTWNNWTD-ZYHUDNBSSA-N 440.899 6.326 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCN(c4ccc(Cl)cc4)C3=O)n2)cc1 920110554 OAGSKENJWXDIFI-MOPGFXCFSA-N 435.936 5.001 30 20 IKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)n1 920714657 ZHJFQPWANPETKX-QGZVFWFLSA-N 444.871 5.070 30 20 IKED N#C[C@@H](C(=O)Cn1ccc2ccc(Cl)cc21)c1nc(-c2c(F)cccc2F)cs1 920805103 HFKRVDVAIBOXLR-AWEZNQCLSA-N 427.863 5.573 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cccc(-c5cnco5)c4)CCC3)cc2)C1 1785810261 IFYGAEQZWRCPCR-UHFFFAOYSA-N 427.504 5.056 30 20 IKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cc(Cl)ccc34)CCC2)cc1 1785935293 UTONGQRFKMKOGD-UHFFFAOYSA-N 434.927 5.119 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3scnc3C3CC3)cc2)CCC1 1787182921 SLOCKHCDUDNQSZ-UHFFFAOYSA-N 435.593 5.537 30 20 IKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)S)CCC3)cc2)[nH]c2c(Cl)cccc12 1788501784 ZXUULJXDUXKEKK-CQSZACIVSA-N 441.984 5.196 30 20 IKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1sc2ccccc2c1Cl 1797464786 YHBNWBKKAGWTAR-BJWYYQGGSA-N 428.985 5.000 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1824145527 JGGTXTWAVVQSPP-HFZDXXHNSA-N 447.623 5.315 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CC3CCCC3)CC2)c1 1826265788 YDTHHNYOYNQLFF-CJFMBICVSA-N 435.612 5.127 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CC3CCCC3)CC2)c1 1826265789 YDTHHNYOYNQLFF-CPJSRVTESA-N 435.612 5.127 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ccncc23)CC1 1829068873 VDZUADHITAIIDF-RUZDIDTESA-N 447.623 5.461 30 20 IKED CCOc1ccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccccc2CC)cc1 10173996 PJHGKKPGDUQSOW-UHFFFAOYSA-O 439.626 5.664 30 20 IKED CC(C)c1ccc([C@@H](NCC(=O)Nc2ccccc2SCC#N)c2cccs2)cc1 15362374 FOKWBXNDMFYHQR-XMMPIXPASA-N 435.618 5.805 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2C)nnc1-c1ccccc1OC 16863497 MYHYIGHXCCAMRU-OAHLLOKOSA-N 442.972 5.221 30 20 IKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2SCC#N)c(C)n1C1CCCCC1 17941354 DSHILJVUNKUKLV-UHFFFAOYSA-N 425.554 5.021 30 20 IKED Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3SCC#N)s2)cc1C 21174684 JYVHQSCMUFQLOQ-UHFFFAOYSA-N 441.607 5.245 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)nnc1-c1ccc(F)cc1 22100700 KUAOIPJCFLGLGZ-DLBZAZTESA-N 438.572 5.903 30 20 IKED COc1cc(OC)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 71907185 REYJMAXXYJJBDF-LJQANCHMSA-N 436.895 5.274 30 20 IKED CCN(Cc1nc2cc(-c3ccc(OC)cc3)sc2c(=O)[nH]1)[C@@H](C)c1ccc(C#N)cc1 110982910 NCAFXOVNIHFJGO-INIZCTEOSA-N 444.560 5.115 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCCc1nc(-c2cccc(Cl)c2)no1 217201534 MBVSERLRIWRFQW-CQSZACIVSA-N 441.944 5.148 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 303650530 KGPNEMOHZHXHRQ-JGCGQSQUSA-N 442.584 6.059 30 20 IKED COc1cc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)ccc1C(F)(F)F 426939212 CLTKEPZMCGEIDI-UHFFFAOYSA-N 442.441 5.360 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@H]1c1ccc(F)cc1F 432026125 MHHPKVVVMOCNER-IERDGZPVSA-N 429.536 5.525 30 20 IKED CC[C@H](C)c1ccc(-c2csc(NC(=O)Cn3cc(C#N)c(=O)c4ccccc43)n2)cc1 432552395 DKZKUXGQWZDMQP-INIZCTEOSA-N 442.544 5.149 30 20 IKED N#CCCn1cc(CNc2ccc(-c3ccc(Cl)cc3Cl)nc2)c(-c2ccncc2)n1 432737867 NHAIGRQHBZXKAR-UHFFFAOYSA-N 449.345 5.840 30 20 IKED N#CCCC[C@@H](NC(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1)c1ccccc1 433136764 MQQPFQJYZJBCMQ-HSZRJFAPSA-N 447.560 5.217 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(C(=O)c4ccc(F)cc4)CC3)c2)cc1 433234834 TWXOVMMROHNDNI-UHFFFAOYSA-N 443.478 5.616 30 20 IKED C=CCC[C@H](NC(=O)N[C@H]1CCOC2(CCSCC2)C1)c1ccc(C(F)(F)F)cc1 442239270 SZBAPBFMXULCRR-OALUTQOASA-N 442.547 5.457 30 20 IKED Cc1cc(NC(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)ccc1C(F)(F)F 443927045 KMYSOLWLALWPOT-UHFFFAOYSA-N 432.299 5.005 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 446518626 CCRSMCNNTBAOPC-UHFFFAOYSA-N 445.997 5.295 30 20 IKED CC(=O)c1cccc(O[C@H](C)C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)c1 460174187 QBUSZOJFGNVDBB-GOSISDBHSA-N 432.907 5.415 30 20 IKED CCO[C@H](C)c1nc(CC(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)cs1 460338543 KOAWRMFWUVIOPZ-MRXNPFEDSA-N 439.968 5.542 30 20 IKED N#CCCN(C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)C12CC3CC(CC(C3)C1)C2 460471408 MWSKWCOZSFSQOX-UHFFFAOYSA-N 439.506 5.263 30 20 IKED C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 460800505 DFZLRCQMMYGVMC-MOPGFXCFSA-N 432.490 5.089 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2coc(-c3ccccc3)n2)cc1Cl 466070235 RRKJYTCBOGZKQG-QFIPXVFZSA-N 442.906 5.972 30 20 IKED N#CCCCOc1cccnc1NC(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F 466601483 NJEQBPDABXYLIK-GOSISDBHSA-N 432.446 5.542 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC(=Cc2ccc(F)c(F)c2)CC1 469447005 WNVHRXUMJQHMTB-QGZVFWFLSA-N 441.547 5.334 30 20 IKED N#CCCn1ncc(C(=O)Nc2cc(-c3ccccc3)ccc2Cl)c1-c1ccccc1 471430871 IYPSVHDLTKQOFD-UHFFFAOYSA-N 426.907 6.036 30 20 IKED CC(C)c1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)CCC2 477720372 SDWHEXRAQWVOEY-LAUBAEHRSA-N 435.593 5.194 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC(c3nc4ccccc4s3)C2)cc1 477746370 NMGJGCBOWUQVHI-UHFFFAOYSA-N 425.513 5.508 30 20 IKED C[C@H](NC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1c(F)cncc1F 481325495 ZZCUUFVLAKSHTI-RTHLEPHNSA-N 427.295 5.042 30 20 IKED Cc1ccccc1-c1nc(C)c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)s1 481515663 GBCFGXGRSSPBLL-UHFFFAOYSA-N 430.558 5.598 30 20 IKED COc1ccccc1-c1csc(C2CCN(C(=O)CSc3ccc(C#N)cc3)CC2)n1 481561090 KBMGCCIFUARSQR-UHFFFAOYSA-N 449.601 5.189 30 20 IKED CC(C)[C@@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1ccncc1 483646367 PPEDWSAQJILKLM-LJQANCHMSA-N 444.482 5.398 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(-c4noc(C(F)F)n4)cc3)c2)cc1 484387800 SRLSFFBPCKINIB-UHFFFAOYSA-N 432.386 5.590 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1 484555682 IGIIRYPEXZWLLQ-HXUWFJFHSA-N 438.537 5.718 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 485436140 HUUDUMIIVMEEGI-UHFFFAOYSA-N 442.519 5.140 30 20 IKED C=CCn1c(SCCCC(=O)Nc2ccccc2C(C)=O)nnc1-c1ccccc1C 488881111 SENDCDLEFGMXBO-UHFFFAOYSA-N 434.565 5.153 30 20 IKED C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 492629379 KFWAFIGKOGRORK-LLVKDONJSA-N 440.830 5.420 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(CC#N)c2ccccc2)c(OC)c1 495490568 JSHYDCVHUWGEOW-UHFFFAOYSA-N 439.515 5.341 30 20 IKED CCN(C(=O)c1coc(-c2ccc(Br)cc2F)n1)c1ccc(C#N)c(Cl)c1 497614533 XBEXGNZVIUBPOY-UHFFFAOYSA-N 448.679 5.435 30 20 IKED C=CCc1cc(CNC(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)cc(OC)c1OC 497801693 RZCUTZAZLCIQBZ-OAHLLOKOSA-N 436.474 5.354 30 20 IKED CCc1nc(C(=O)Nc2cccc(OCCCC#N)c2)nn1-c1c(Cl)cccc1Cl 498784024 ZLGPFAGUXRTCGE-UHFFFAOYSA-N 444.322 5.071 30 20 IKED N#Cc1c(NC(=O)c2oc3ccccc3c2CSc2ncccn2)sc2c1CCCC2 499330443 WEJXWHTXNMJPBV-UHFFFAOYSA-N 446.557 5.579 30 20 IKED Cc1ccccc1Nc1nc2sc(C(=O)N(CCC#N)Cc3cccnc3)cc2s1 500071415 FCNYIGXUMBHYMK-UHFFFAOYSA-N 433.562 5.361 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccc(Sc2ccc(F)cc2)cc1 501546231 XNLPHSOKZLDUIF-UHFFFAOYSA-N 440.540 5.350 30 20 IKED CC1(C#N)CCN(C(=O)NCc2ccc(OCCSc3ccc(Cl)cc3)cc2)CC1 503213186 ZZQVMYVKUKGDLB-UHFFFAOYSA-N 444.000 5.346 30 20 IKED COc1cc(-c2noc(-c3ccc(Oc4ccc(C#N)cn4)cc3)n2)cc(Cl)c1OC 504833867 QAIDILCSTGZZDX-UHFFFAOYSA-N 434.839 5.133 30 20 IKED O=C(CC1(C(F)(F)F)CC1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 505130272 TULPYMSHZWFBDH-ZDUSSCGKSA-N 449.313 5.357 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Cl)cc3OCC(F)(F)F)cc2)nc1 505300345 SJIYGLLXSBJOPW-UHFFFAOYSA-N 447.800 5.592 30 20 IKED N#C[C@H](NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1)c1cccc(C(F)(F)F)c1 505966860 WLRPXSHFNSUISW-SFHVURJKSA-N 449.885 5.330 30 20 IKED Cc1sc(NC(=O)c2ccccc2-c2ccccc2C#N)nc1-c1c[nH]c2ncccc12 506177363 DDEBOIJPZNGVID-UHFFFAOYSA-N 435.512 5.786 30 20 IKED C[C@@H](NCc1nc2cc(Br)ccc2o1)c1ccc(-c2cccc(C#N)c2)cc1 509007574 SOECTMQNWIWCET-OAHLLOKOSA-N 432.321 5.980 30 20 IKED Cc1nc(C(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)ccc1C#N 510305473 RIEFNKAHYCDLPE-UHFFFAOYSA-N 439.397 5.177 30 20 IKED N#Cc1cc(F)ccc1NC(=O)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 510833598 OGFBMVYXAXGSFV-MRXNPFEDSA-N 425.508 5.005 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1 513709022 AROWIONOJJTWNW-HXUWFJFHSA-N 436.298 5.439 30 20 IKED N#CCCN(C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 513779247 BADNVDZMCPVWAR-UHFFFAOYSA-N 447.318 5.064 30 20 IKED CC[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccccc1OC(F)F 515374760 ARUUOGLSOWVKOL-GOSISDBHSA-N 442.491 5.480 30 20 IKED COc1ccc([C@H](Cc2ccccc2C)NC(=O)N(C)Cc2cccc(C#N)c2)cc1OC 520067855 LBEPCOXTYXKKNN-DEOSSOPVSA-N 443.547 5.009 30 20 IKED CC(C)(C)n1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1C(F)(F)F 520562771 JMZQGESKLMDPQX-UHFFFAOYSA-N 428.414 5.573 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 520942847 QJQFJEYALDRCPG-CZUORRHYSA-N 445.997 5.026 30 20 IKED CCO[C@H](C)c1nc(CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cs1 524211072 ISYGAHBBKNVUTQ-QGZVFWFLSA-N 435.549 5.067 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)cc1Cl 533798596 SDYYXJVXFRYDDH-QFIPXVFZSA-N 429.907 5.140 30 20 IKED C=C[C@@H](CC(=O)N1CCC[C@H]1c1ccccc1I)c1ccccc1 534685714 DGSTZGZDKAECIC-JXFKEZNVSA-N 431.317 5.315 30 20 IKED C=CCN(C(=O)[C@H]1CCc2cnn(C)c2C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 538403957 KHEZRHFGOFYUIC-AWEZNQCLSA-N 447.391 5.175 30 20 IKED N#CC1(c2ccc(C(=O)Nc3ccc(Cl)c(-c4nnc5n4CCCCC5)c3)cc2)CC1 538499544 XXKNRHVJRKOTGK-UHFFFAOYSA-N 431.927 5.132 30 20 IKED C[C@@H](NC(=O)c1ccc(NC(=O)N(C)C)cc1Cl)c1ccc(-c2cccc(C#N)c2)cc1 541072262 ZBMSGEGOABKJMC-MRXNPFEDSA-N 446.938 5.463 30 20 IKED Cc1sc2nc([C@H](C)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)nc(O)c2c1C 542004664 LJFWZUCHGHEWNA-HOTGVXAUSA-N 428.561 5.964 30 20 IKED CC[C@H](NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nnc2n1CCCCC2 542077975 LFOPZOPADMYFHR-MBSDFSHPSA-N 442.567 5.055 30 20 IKED N#C[C@@H](C(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1)c1ccncn1 545447963 LWVJAHDPZQQSIP-OAHLLOKOSA-N 440.315 5.188 30 20 IKED CC(C)(CCC#N)CNC(=O)[C@@H](Oc1ccc(Br)cc1F)c1ccccc1 554638929 GYRMOAJINVCHQV-IBGZPJMESA-N 433.321 5.154 30 20 IKED N#Cc1ccnc(Sc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)c1Cl 557627885 QNACDRWDIUWOFI-UHFFFAOYSA-N 425.304 5.054 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1 558761375 COVGXBNTTKMWMP-SFHVURJKSA-N 427.504 5.635 30 20 IKED C=CCNC(=O)c1cccc(-c2noc(-c3c(-c4ccccc4Cl)noc3CC)n2)c1 564242373 LXCSMBKQCYGANU-UHFFFAOYSA-N 434.883 5.190 30 20 IKED CCCN(C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[C@@H]1CCCc2cccnc21 564258911 BOMCMHLERHMHCW-HSZRJFAPSA-N 427.508 5.462 30 20 IKED N#Cc1ccc(S(=O)(=O)Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)o1 565387466 WQZGJFDACLRRIZ-UHFFFAOYSA-N 431.882 5.007 30 20 IKED COc1cc(CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1Cl 568925790 WRNILDDWHXMUTD-UHFFFAOYSA-N 436.964 5.485 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)CC2)c1 569875559 YHHIRHMZPCIMMX-UHFFFAOYSA-N 433.508 5.065 30 20 IKED Cc1nc(C(F)(F)F)ccc1NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 579157959 FRCKUHVDDZJNNF-UHFFFAOYSA-N 436.865 5.179 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 579508084 XDOIXFQMABSUJN-HOTGVXAUSA-N 437.569 5.247 30 20 IKED CC(C)[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1nc2ccccc2[nH]1 579897806 LBOOAYGWQDQJQP-JOCHJYFZSA-N 426.480 5.141 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N(Cc3cccc(F)c3)C[C@@H]3CCCO3)cc2)ccn1 589362580 NEQMUXXBPRBOLL-DEOSSOPVSA-N 446.482 5.098 30 20 IKED C=C(C)COc1cccc(NC(=O)c2ccccc2SCc2cn3ccccc3n2)c1 589553179 YUIVGIIPWDOCBL-UHFFFAOYSA-N 429.545 5.834 30 20 IKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603690125 JCRMJIQEMBCHCK-HNNXBMFYSA-N 429.505 5.580 30 20 IKED N#Cc1c(NC(=O)CCc2nc(-c3ccsc3)no2)sc2c1-c1ccccc1CC2 603992314 QPCYAKODVDKQDY-UHFFFAOYSA-N 432.530 5.068 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)[C@@H](OC)c2ccc(Cl)cc2)cc1 605915109 JRUCVYKZMZGZLX-VGOFRKELSA-N 441.959 5.052 30 20 IKED C[C@@H](CC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1C(F)(F)F 607464603 XEYXWKKCNPBYLR-WUHRBBMRSA-N 449.357 6.225 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1[nH]c2ccc(F)cc2c1Cl 609072484 NOKZZBZULJRSLY-UHFFFAOYSA-N 433.870 5.972 30 20 IKED COCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)oc2ccccc12 609103853 FDSQTILHLRPMAO-UHFFFAOYSA-N 430.435 5.421 30 20 IKED CCN(CC)[C@@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1 609200998 IONNSOWPKRMHPR-AREMUKBSSA-N 427.548 5.353 30 20 IKED COc1ccc(-c2nc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)cs2)cc1OC 609338000 URHLHZXVRUWVPX-GFCCVEGCSA-N 439.562 5.138 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1csc(-c2ccoc2)n1 609392403 BLDXOKWJFQNWNZ-AWEZNQCLSA-N 429.592 5.669 30 20 IKED COc1ccccc1[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C)c1ccccc1 609401286 BXVDYZOBNGVYOZ-SANMLTNESA-N 427.548 5.524 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCSC[C@H]1c1ccccc1 609683345 QLPQSXSANRKJRS-DEOSSOPVSA-N 429.545 5.981 30 20 IKED Cc1ccc(OC2CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)CC2)cc1 609730430 ZUCNHLXRMJQHTH-UHFFFAOYSA-N 426.516 5.537 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(NC(=O)c4cccs4)cc3)c2)cc1 609990878 SDPAAJHCNXTCKH-UHFFFAOYSA-N 438.512 5.868 30 20 IKED C[C@@H](NC(=O)CSc1ncnc2scc(-c3ccccc3)c12)c1cccc(C#N)c1 610359388 IGUOUSFCHMGTGT-OAHLLOKOSA-N 430.558 5.199 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 610632498 GZDVDRVZYRYHDB-IJLUTSLNSA-N 425.398 5.285 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC1CCN(c2ccc(C#N)cn2)CC1 610809739 SIKFHFQUTWNMIW-OAHLLOKOSA-N 438.000 5.358 30 20 IKED O=C(NCC1(c2ccc(F)cc2)CC1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612805359 HUFKBQSIOTWULH-CHWSQXEVSA-N 426.376 5.066 30 20 IKED CO[C@]1(C(F)(F)F)CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 614898074 LHDVRCVGMGQWBO-OAQYLSRUSA-N 434.483 5.034 30 20 IKED C=CCn1c(S[C@H](C)c2nc(C(C)(C)C)no2)nc2sc3c(c2c1=O)CCCC3 641846562 IYEWZUACXRPRJL-GFCCVEGCSA-N 430.599 5.057 30 20 IKED O=C(c1cc(F)c(Br)c(Cl)c1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 671753503 QPMCMHTUHPIQRH-RNFRBKRXSA-N 442.556 5.054 30 20 IKED Cc1[nH]nc(C(F)(F)F)c1C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1 673738069 PTUAHAHKEWNBKG-UHFFFAOYSA-N 447.310 5.939 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@H](C#N)c1nc2c(C)ccnc2[nH]1 674299122 BIEVWGPHFHRQDO-AWEZNQCLSA-N 441.438 5.207 30 20 IKED CN(Cc1ccc(Cl)c(F)c1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 677825093 HQPLHLWOHFZKBY-GDNZZTSVSA-N 434.783 5.530 30 20 IKED Cc1nnc(-c2ccccc2C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)o1 679537717 JIODVHBQQOJSNN-CQSZACIVSA-N 428.395 5.164 30 20 IKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CC1CCC1)c1cccs1 726419666 JCOBEZANWPBFQA-UNJCWQMKSA-N 445.585 5.077 30 20 IKED CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1OC 726628045 XCLSUNGYBFYRHS-VXLYETTFSA-N 444.965 5.415 30 20 IKED N#C[C@@H](C(=O)[C@H](OC1CCCC1)c1ccccc1)c1nc(-c2c(F)cccc2F)cs1 727050819 ITPVOCGEKUBWJF-GAJHUEQPSA-N 438.499 5.965 30 20 IKED O=[N+]([O-])c1cc(C=NOCc2ncc(-c3cccc(Cl)c3)o2)ccc1N1CCCC1 727470388 VQTNKSTVGZFGEE-UHFFFAOYSA-N 426.860 5.054 30 20 IKED N#Cc1cccnc1NCCOC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl 727778164 TXTNSCLBIFQQOP-UHFFFAOYSA-N 425.819 5.109 30 20 IKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1cccnc1Cl 728062836 VZHOSBJBFJWXHF-CQSZACIVSA-N 441.318 5.278 30 20 IKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CCC2)c1 730459922 PHDUWLMHEGJLHS-FQEVSTJZSA-N 443.519 5.094 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 731117533 VQMKVQUQVZRKOR-QZTJIDSGSA-N 446.617 5.097 30 20 IKED CCS(=O)(=O)Nc1ccc(C(=O)/C=C\c2c(OC(F)F)ccc3ccccc23)cc1 731564376 CIEHTWITDNBENF-SEYXRHQNSA-N 431.460 5.099 30 20 IKED C#CCN(C(=O)Nc1ccc2ncsc2c1)[C@H]1CCOc2ccc(Br)cc21 733620873 LISDDXNNZRRYRP-KRWDZBQOSA-N 442.338 5.050 30 20 IKED Cc1ccccc1COc1cccc(CC(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c1 734082729 FPXHBKHXNOQBJS-HSZRJFAPSA-N 439.540 5.512 30 20 IKED C[C@@](O)(C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1C(F)(F)F 735848363 IZJAINBQAXTTRW-QHCPKHFHSA-N 440.421 5.002 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCCCC[C@H]2c2ccco2)cc1 737316972 WPRRWKUBYHLRDL-GOTSBHOMSA-N 427.504 5.017 30 20 IKED COCCOc1cccc(F)c1C(=O)/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)s1 741840912 HCZJXYFYYUMRCV-LUAWRHEFSA-N 427.453 5.384 30 20 IKED CSc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1F 741847915 SNUCFWDVQJYWER-FNORWQNLSA-N 448.491 5.863 30 20 IKED C[C@H](C#N)Oc1ccc(/C=C(/CC(=O)O)c2nc3cc(Br)ccc3s2)cc1 742437496 UMPWUURNEMMIIB-UGMNDJHYSA-N 443.322 5.365 30 20 IKED CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(C#N)o2)NC(=S)N1c1cccc(C)c1 743741027 YRBPOTYNYNYRAH-HSZRJFAPSA-N 442.544 5.117 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(CNC(=O)OC(C)(C)C)o3)n2)cc1 744035665 TVJWWXMIOMUZMF-KRWDZBQOSA-N 437.521 5.226 30 20 IKED N#C[C@H]1C(CN(Cc2c(Cl)cccc2Cl)C2CC2)=CC(=O)n2c1nc1ccccc12 746134110 PZGXKTOTAYQDEA-INIZCTEOSA-N 437.330 5.195 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1 750999272 LEQMMLNJOKTLDN-XXBNENTESA-N 447.560 5.841 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1NCC(=O)N(CCC#N)c1cccc(Cl)c1 753908343 JQQIJOFQQRQDAU-UHFFFAOYSA-N 442.947 5.354 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(OC)c(-c3ccccn3)c2)cc1 754822255 LTRCMYLDBZTCDG-JTSKRJEESA-N 427.504 5.232 30 20 IKED C=CCNc1nc(C(=O)O[C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)cs1 757973490 IPJRLVFBXYNWBN-VIFPVBQESA-N 425.297 5.016 30 20 IKED Cc1ccc(-c2nnc([C@H](C)OC(=O)c3cnn(CCC#N)c3-c3ccccc3)o2)cc1C 759080021 PBXILRRRULVSDZ-SFHVURJKSA-N 441.491 5.049 30 20 IKED N#CCOc1cccc(NC(=O)NC2(c3noc(CC4CCCC4)n3)CCCCCC2)c1 759913166 FSYBPBSVLVBVOO-UHFFFAOYSA-N 437.544 5.076 30 20 IKED C[C@H](NC(=O)c1c(C(F)(F)F)ccnc1Cl)c1ccc(-c2cccc(C#N)c2)cc1 760030823 MGURWGQFPVVPEY-ZDUSSCGKSA-N 429.829 5.783 30 20 IKED Cc1c(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)sc2nc(C(F)(F)F)ccc12 764306459 IMFCGXJLKCOJLL-UHFFFAOYSA-N 440.790 5.309 30 20 IKED COc1cc(C#N)ccc1COC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 766882486 LWSKHVGFZXRWIP-UHFFFAOYSA-N 431.275 5.205 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@@H]2CCCc3c(Cl)sc(Cl)c32)ccc1OC 772978249 DZDHOMMGPFQSLC-UKRRQHHQSA-N 425.381 5.912 30 20 IKED C[C@@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 782562091 DTAMQJCZNPAMAC-GOSISDBHSA-N 433.552 5.050 30 20 IKED C[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 782562092 DTAMQJCZNPAMAC-SFHVURJKSA-N 433.552 5.050 30 20 IKED O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)OCCC#Cc1ccccc1 786954582 SWWWPCQLCWKMCR-UHFFFAOYSA-N 429.303 5.351 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(C(=O)Nc3ccccc3)c2)cc1 796796035 AQDPDJPMDMHIKB-XMMPIXPASA-N 439.515 5.243 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)n2)cc1 797943755 VWXDFMODBRWUSP-IRLDBZIGSA-N 447.560 5.246 30 20 IKED C=CCn1c(SCC[S@](C)=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 798232823 KBMGUCNSVIOFJK-HKBQPEDESA-N 448.617 5.125 30 20 IKED Cc1ccc(C(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1C#N 799721855 YOZGIHFBXWYSKO-GOSISDBHSA-N 442.359 5.118 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)C(C)(C)c2csc(-c3cccs3)n2)c1 799937208 LJOVAXJOOJVIMD-INIZCTEOSA-N 425.579 5.147 30 20 IKED N#Cc1sc(N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)nc1Cl 804443934 MHEBDTKJUJLVCV-GOSISDBHSA-N 444.004 5.361 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 806577767 WNPOMGFIZOCJKJ-KRWDZBQOSA-N 435.524 5.101 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC1CCC(c2ccc(C(C)(C)C)cc2)CC1 807401875 WWCDOHLSKPGLJI-HOHBBMLPSA-N 447.579 5.056 30 20 IKED N#C[C@@H](C(=O)CCSc1cccc(Cl)c1)C(=O)Nc1ccc(SC(F)F)cc1 808978691 ADBZZPHYPXZAMY-INIZCTEOSA-N 440.924 5.484 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2c(F)cccc2Cl)cs1 809159934 ZKIBUCGRSZTLBW-YFHOEESVSA-N 435.307 6.170 30 20 IKED CCSc1cccc(Br)c1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 810306121 AWAVGMZUDJBOJA-QGZVFWFLSA-N 446.370 5.038 30 20 IKED N#Cc1ccc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)c(C(F)(F)F)c1 811624937 XEWGFNPEIUIXII-SOFYXZRVSA-N 449.866 5.508 30 20 IKED N#C[C@@H](C(=O)CCCC(=O)c1ccc(Br)cc1)c1cc(C(F)(F)F)ccn1 813216014 MQWVNWTWHKPZIM-OAHLLOKOSA-N 439.231 5.092 30 20 IKED CC(=NNc1ncnc2c1cnn2-c1ccccc1)c1sc(-c2ccccc2F)nc1C 814803318 PIKNFWLXJGJVKO-UHFFFAOYSA-N 443.511 5.223 30 20 IKED CC(=NNc1ccnc2cc(Cl)ccc12)c1ccc(S(=O)(=O)C2CCCC2)cc1 914693012 GDLYTGOHWYUGRN-UHFFFAOYSA-N 427.957 5.441 30 20 IKED Cc1nc(COc2ccccc2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cs1 915085053 DUNGLDHDYOALQU-DEOSSOPVSA-N 439.540 5.938 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3csc(COc4ccc(F)cc4)n3)cn2)cc1 916074675 VJXVCESYKJKGRH-UHFFFAOYSA-N 446.463 5.172 30 20 IKED CC(C)c1ccccc1OCC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916904326 AHECIHXSLULUQV-OAQYLSRUSA-N 428.488 5.329 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(-c2ccccc2)cc1 916905366 OAJUEXFCXBTVCH-DEOSSOPVSA-N 432.479 6.107 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 916909778 UWEMJQKEFNAJOS-GUYCJALGSA-N 433.335 5.233 30 20 IKED N#C[C@H](C(=O)c1csc(COc2ccc(F)cc2)n1)c1nc2cc(Cl)ccc2s1 917047289 WGWPCJQBKBHBST-CQSZACIVSA-N 443.912 5.614 30 20 IKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=Nn1c(S)nnc1-c1cccc(Cl)c1 917540893 XGTYKDMCEOSLTL-UHFFFAOYSA-N 443.363 5.225 30 20 IKED CC(=O)Nc1ccc(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 917600192 MSUPSAMUSULUIJ-UHFFFAOYSA-N 436.924 5.771 30 20 IKED CC(C)CN(CCC#N)Cn1nc(-c2cc(-c3ccccn3)nc3ccccc23)oc1=S 919945093 VTLVMTGSVCMOPR-UHFFFAOYSA-N 444.564 5.312 30 20 IKED Cc1ccc(OCc2nc(/C=C3/SC(=Nc4c(C)cccc4C)NC3=O)cs2)cc1 920065139 VJLQXNYKGSBZDG-YBFXNURJSA-N 435.574 5.539 30 20 IKED CCOc1ccccc1OCCCC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920143387 VZUNPCUZSKRXNG-IBGZPJMESA-N 431.517 5.116 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2cc(F)cc(F)c2)cs1 920375422 YZPSQIGCQUDEDF-UHFFFAOYSA-N 440.397 5.571 30 20 IKED COc1c(Cl)cc(Cl)cc1C=Nn1cnc2sc(C)c(-c3ccccc3)c2c1=O 921256182 IXHARKVZPZYVIH-UHFFFAOYSA-N 444.343 5.631 30 20 IKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)[C@H](F)c4ccccc4)cc3)CCC2)c1 1786612410 CVDKVFARHAHPDT-HSZRJFAPSA-N 445.469 5.156 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)Cc3ccccc3Cl)cc2)CCC1)C(F)(F)F 1787749655 TXYRKQLLQLNKHA-UHFFFAOYSA-N 436.861 5.135 30 20 IKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ncccc34)cc2)CCC1 1788952234 WHTJLVNBOKXYOW-HXUWFJFHSA-N 428.536 5.079 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cccc(SC)c3O)cc2)CCC1 1790067932 UGELANMXZIPFJI-UHFFFAOYSA-N 446.519 5.073 30 20 IKED Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(C3(NC(=O)CCC#N)CCC3)cc2)cc1 1790692320 ONROCUVXEUSMAJ-UHFFFAOYSA-N 440.547 5.146 30 20 IKED C/C=C(\C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792168716 FSNRDDUIYOUENU-BLLMUTORSA-N 431.536 5.059 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(CCCCC)s1 1801301154 QJXBPNYKRKXNQX-REPLKXPHSA-N 431.646 5.120 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)C2)CC1 1805291776 PNVITJBWITZXLP-PKTZIBPZSA-N 440.603 5.153 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H](C)c2ccccc2)[nH]n1 1814830076 OAPKHBJTUDFCKM-CVDCTZTESA-N 434.584 5.364 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C)c(F)c2F)[nH]n1 1819310909 DRJNUJZNBUGRKY-APWZRJJASA-N 442.510 5.071 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(OCC)c2)n[nH]1 1820648881 LXZZSHYTMNOCLH-OAQYLSRUSA-N 438.572 5.107 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC)c(F)c2)CC1 1823918449 LTWNASJXKLYTJE-QFIPXVFZSA-N 444.591 5.060 30 20 IKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3Cl)CC2)c1 1829895477 YRTCTTXWSZGEFK-XMMPIXPASA-N 449.982 5.067 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)c(O)c(C)c2)CC1 1832578578 DGDCTJCDTGVNDY-DNQXCXABSA-N 438.612 5.011 30 20 IKED COc1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccccc2)cc1 15248101 DBNBEKCJFBVRRB-UHFFFAOYSA-O 432.352 5.340 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)nnc1-c1ccc(OC)cc1 22213427 UPAMNYMTMRBPOQ-ZDUSSCGKSA-N 446.935 5.052 30 20 IKED CCCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2cccc(Cl)c2)cc1 23604070 HEZNHLMMXSPLRE-UHFFFAOYSA-O 426.993 5.576 30 20 IKED C=CCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2cccs2)cc1 24447885 VOVVVBOVTRFFOW-DEOSSOPVSA-N 435.545 5.118 30 20 IKED C=CCn1c(SCC(=O)Nc2ccccc2CCC)nnc1-c1ccc(Cl)cc1 32050713 YNFSOITXPNVMEP-UHFFFAOYSA-N 426.973 5.468 30 20 IKED CC(C)c1ccc(CSc2nnc(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)s2)cc1 36253095 VOFJDBNAJDYNQI-VFNWGFHPSA-N 448.683 5.489 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)nnc1C1CC1 36802519 AYSAHHQULTYZJW-INIZCTEOSA-N 445.592 5.589 30 20 IKED Cc1cc(C)cc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c1 43751174 UJDYINABDBITRP-HXUWFJFHSA-N 444.585 5.581 30 20 IKED C=C(C)COc1cc(CN[C@@H](C)c2cc3c(cc2Br)OCCO3)ccc1OC 60949751 QBWKSHSIXZTMGW-HNNXBMFYSA-N 448.357 5.035 30 20 IKED N#Cc1cccc(COc2cccc(CNCC3CCN(Cc4cccs4)CC3)c2)c1 60952540 JYPKCQZGMPZFMX-UHFFFAOYSA-N 431.605 5.201 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nnc1-c1ccccc1 69303279 PPMQTVKHWWWUSH-QGZVFWFLSA-N 448.592 5.479 30 20 IKED C[C@@H](Nc1ccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1)c1ccccc1 110894245 OXPLFDRAPINBIR-OAQYLSRUSA-N 440.547 5.525 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1 111183352 OXCOEHAHGNLYMP-UHFFFAOYSA-N 433.558 5.984 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCCN(c4ccccc4)CC3)c2)cc1 195547011 WZFHCCMKLZPTDB-UHFFFAOYSA-N 440.547 5.076 30 20 IKED N#Cc1cc(Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)nc2ccc([N+](=O)[O-])cc12 302668897 NFLVVYWSLHJYAL-YTTGMZPUSA-N 442.500 5.207 30 20 IKED N#Cc1ccc(NC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)c(Cl)c1 426150748 ASIAWMTZMFFKNG-UHFFFAOYSA-N 437.849 5.100 30 20 IKED Cc1ccccc1-c1cc(C(=O)[C@@H](C#N)c2nc3c(C)ccnc3[nH]2)c2cnn(C(C)C)c2n1 429597477 LGCABESHQUBETM-LJQANCHMSA-N 449.518 5.057 30 20 IKED O=C(NC1CC(F)(F)C1)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 429599412 DKLPAXNBEOUWJU-JTQLQIEISA-N 444.244 5.425 30 20 IKED COCCn1nc(C)c(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C 431076638 GFQPASVIFSHLFL-FQEVSTJZSA-N 437.931 5.099 30 20 IKED N#CCSc1cccc(C(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)c1 431163800 QCBOOUCQMIVCKW-UHFFFAOYSA-N 436.924 5.852 30 20 IKED C=CCC[C@H](NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 435276806 HHVDNOOMONANSS-QFIPXVFZSA-N 444.497 5.381 30 20 IKED COc1cccc(/C=C(\CC(=O)Nc2cc(C#N)ccn2)c2nc3ccccc3s2)c1 436008206 DJNFALHDFNCDRM-WOJGMQOQSA-N 426.501 5.141 30 20 IKED CC(C)N(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 437040263 SVZPPJJUACXMKY-INIZCTEOSA-N 429.973 5.110 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)cc1 437758176 LUDNRPOHYOENCL-UHFFFAOYSA-N 428.448 5.455 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)Nc3cccc(CC(F)(F)F)c3)c2)c1 437889932 PAYHQFFNAONHDY-UHFFFAOYSA-N 438.409 5.559 30 20 IKED N#CCC[C@H](Nc1ncc(Cl)c(N[C@@H](CCC#N)c2ccccc2)n1)c1ccccc1 439102685 XJNBCXAHUSLNBA-VXKWHMMOSA-N 430.943 6.044 30 20 IKED CCCc1c(NC(=O)CCc2ncc(-c3ccc(C)cc3)o2)cnn1-c1cccc(C#N)c1 440079439 PJHJCLJFKJUUFO-UHFFFAOYSA-N 439.519 5.231 30 20 IKED COc1cc(OC)c2ncc(C#N)c(OCC(=O)Nc3c(C(C)C)cccc3C(C)C)c2c1 440087375 BQLGEJISEIZZMW-UHFFFAOYSA-N 447.535 5.388 30 20 IKED O=S(=O)(Cc1ccccc1NCC#Cc1ccc(C(F)(F)F)cc1)c1ccccc1 443543239 OSPURWKNAOMETL-UHFFFAOYSA-N 429.463 5.143 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2ccc(Br)cc2C(F)(F)F)c1 444418420 URSNIIHEFOMWHY-UHFFFAOYSA-N 441.247 5.527 30 20 IKED CC(C)(c1cccc(F)c1)c1noc(C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 445621597 RVQFUYINGOIFJG-UHFFFAOYSA-N 447.470 5.038 30 20 IKED N#Cc1cc(NC(=O)N2CCc3ncsc3C2)ccc1Oc1ccc(C(F)(F)F)cc1 446332072 ONLPQBDEMJFWDM-UHFFFAOYSA-N 444.438 5.416 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCn2c(cc3ccc(Cl)cc32)C1 447392898 IQLAQBGXBQHDJX-INIZCTEOSA-N 438.984 5.143 30 20 IKED C[C@H](Oc1cccc(Cl)c1)c1nnc(N(CCC#N)CC2CC2)n1Cc1cccs1 461476122 CNFRYTQFYMTFFZ-INIZCTEOSA-N 441.988 5.311 30 20 IKED COc1cccc([C@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)c1 461501259 ZFNQIYNBQBXMMX-HSZRJFAPSA-N 441.560 5.277 30 20 IKED Cc1ccc(CN(CCc2ccccc2)C(=O)Nc2ncccc2OCCCC#N)s1 466621282 XNVBTSXDSCHRHV-UHFFFAOYSA-N 434.565 5.411 30 20 IKED Cc1ccc(-n2cc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)c(C(C)(C)C)n2)cc1 467407495 NOCOBKZBLZRUOZ-QGZVFWFLSA-N 426.442 5.382 30 20 IKED CCC(C)(C)N(CCC#N)C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 471166657 WPOSLRMMUJPYBO-UHFFFAOYSA-N 429.590 5.066 30 20 IKED N#Cc1c(NC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)sc2c1CCCCCC2 474645239 DAIGUGYJLGMUKU-UHFFFAOYSA-N 440.956 5.553 30 20 IKED CC(C)N1CC[C@H](NC(=O)C[C@@H](CC#N)c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 476604765 XUJIIROFPLLKJS-RVSNTGDXSA-N 427.951 5.207 30 20 IKED N#Cc1cccc(CNC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C4)C3)c1 477082115 CXKLFUSYSPEXSZ-CZZMKVDGSA-N 444.419 5.297 30 20 IKED C=C(C)Cn1c(SCc2csc(-c3ccccc3OC)n2)nnc1-c1ccncc1 479793851 BPLBQXVXCKEWDB-UHFFFAOYSA-N 435.578 5.341 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1 480781294 QIGWCZKDVWYSDI-UHFFFAOYSA-N 449.338 5.183 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnc(-c2ccccc2)nc1C 481505943 FJSZSTFXRZACCR-UHFFFAOYSA-N 434.499 5.463 30 20 IKED CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)c12 481854646 SOXIAYWFGBWJIS-UHFFFAOYSA-N 444.413 5.289 30 20 IKED CC(C)(CC(=O)Nc1cc(NC(=O)CC(C)(C)C(F)(F)F)c(F)cc1F)C(F)(F)F 483843816 WMYJXKBTVASYKR-UHFFFAOYSA-N 448.354 5.799 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3COC3CCOCC3)cc2)cc1 487224352 VGQOUGHWEWWGGP-UHFFFAOYSA-N 428.488 5.298 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3C[C@@H]3c3ccccc3C(F)(F)F)s2)cc1 487383807 DNIJJPFFHMPTJX-MSOLQXFVSA-N 427.451 5.367 30 20 IKED C[C@@H](NC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1nc(C(F)(F)F)cs1 488606855 FFNSWDHIINEGII-KBUNVGBDSA-N 433.324 5.104 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)c3nc(Cc4ccc(F)cc4)no3)o2)cc1 489800097 GQJSFROGKDYOMB-AWEZNQCLSA-N 438.484 5.268 30 20 IKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1(c2cccc(F)c2)CCOCC1 494443992 YYLWPCHJEVHJPJ-UHFFFAOYSA-N 435.339 5.550 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)c1 502336059 BVAAQBBXBKJBCB-HSZRJFAPSA-N 446.478 5.086 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 504447727 BPIGZVYABYMARV-MHZLTWQESA-N 439.559 5.593 30 20 IKED CCCCCn1cc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(C)n1 504978196 AHVCQUSWUAEOEO-UHFFFAOYSA-N 447.558 5.305 30 20 IKED CCCN(C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H](C)CC(=O)Nc1ccccc1 505298841 UFTYBMVBAGTOGE-MOPGFXCFSA-N 438.597 5.600 30 20 IKED Cc1cc2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)c3nnc4n3CCCCC4)c2cc1C 505451559 QXSPFBMZWPDCOK-QFIPXVFZSA-N 435.531 5.327 30 20 IKED C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)Cc1nc(-c2ccc(Cl)cc2)no1 507334321 GPYZWDLXPBANRP-UHFFFAOYSA-N 442.306 5.282 30 20 IKED CCN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@H](C)c1cccc(C(F)(F)F)c1 508583088 PAAHXIHYNIOXFD-MRXNPFEDSA-N 447.476 5.542 30 20 IKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)Nc1cc(C#N)ccc1OC(C)C 509557466 FYOCJCUGRUXGBX-UHFFFAOYSA-N 426.314 5.079 30 20 IKED Cc1ccc([C@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 509900830 UGVQEVUBOFQNFO-AREMUKBSSA-N 425.532 6.009 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c(OC)c1 510675508 QUMXDFLQHGMXDK-QHCPKHFHSA-N 443.503 5.737 30 20 IKED CC(C)(C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1cc(F)cc(C#N)c1 512983996 ZONMEORLJXIFPH-WJOKGBTCSA-N 434.536 5.063 30 20 IKED Cc1nc(CSc2ccccc2C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cs1 513175918 MQDWIWHOOVXLII-INIZCTEOSA-N 433.480 5.648 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)n1 513659431 FGGFJZKWYRJWNO-MRXNPFEDSA-N 429.910 5.654 30 20 IKED Cc1nc(NC(=O)c2nc(-c3ccc(Cl)c(Cl)c3)oc2C)sc1SCC#N 513685878 SQRRNSJIZLFZLN-UHFFFAOYSA-N 439.349 5.590 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)Nc1cc2c(cc1Sc1ccccc1)OCCO2 513926354 SKOVIGIFZSRYBD-UHFFFAOYSA-N 431.517 5.145 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)c3cccc(OCc4ccc(Cl)cc4)c3)CC2)c1 517082427 WJWKXRHKSNJNBZ-UHFFFAOYSA-N 446.934 5.474 30 20 IKED C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@H](c2ccc(F)cc2)C1 517182692 QFOYTFDTQDFAQB-IBGZPJMESA-N 438.572 5.288 30 20 IKED N#C[C@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1cccc(Cl)c1Cl 519485198 JRLIQEUUZCMPQZ-IBGZPJMESA-N 439.302 5.632 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F 520678787 OEBUKTGDNOMAOW-HNNXBMFYSA-N 426.394 5.775 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 521326021 CWOGCANZOKXVAO-GFCCVEGCSA-N 432.427 5.402 30 20 IKED Cc1nc(CCC(=O)Nc2sc(C)c(C)c2C#N)oc1-c1ccc(Br)cc1 521619443 LLFNSKCWGRHAEQ-UHFFFAOYSA-N 444.354 5.534 30 20 IKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc4nc(C(F)F)[nH]c4c3)c2C#N)C1 521622455 ROVCSAIEVJTZNL-GFCCVEGCSA-N 428.508 5.837 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1)C(C)C 522581294 CNUALPWLZBPBLP-UHFFFAOYSA-N 441.531 5.146 30 20 IKED COc1cc(CN[C@H](c2ccccc2)c2nccs2)ccc1OCc1cccc(C#N)c1 532669080 BDBRTDIQCIMGIQ-RUZDIDTESA-N 441.556 5.482 30 20 IKED Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 537146923 NBZJGABGMDXJKO-HSZRJFAPSA-N 429.524 5.840 30 20 IKED CSc1ccc(C)c(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 538343300 CVBPOBYKOIRTOX-UHFFFAOYSA-N 447.585 5.572 30 20 IKED CN1CCC(C#N)(NC(=O)c2oc3ccccc3c2CSc2ccccc2Cl)CC1 539004388 RVUWRPMTYRUEQQ-UHFFFAOYSA-N 439.968 5.096 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 539750299 CAOGHRCJJJMOQE-NRFANRHFSA-N 433.515 5.030 30 20 IKED Cc1cc(NC(=O)N(Cc2ccc(-c3ccccc3F)s2)C(C)C)nn1CCC#N 540816346 OTPPBPIBDQDTHM-UHFFFAOYSA-N 425.533 5.415 30 20 IKED COC(=O)c1ccoc1CN[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 541192910 ABZFLBJUTWZLBH-ZDUSSCGKSA-N 449.269 5.497 30 20 IKED CCOc1cccc2cc([C@@H](C)NCC(=O)Nc3ccccc3S[C@H](C)CC#N)oc12 543516658 KAQXNNLMVHIJMY-IAGOWNOFSA-N 437.565 5.515 30 20 IKED CCC(C)(C)OCc1ccccc1NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 543666029 VTJSGVXXLHSNPT-UHFFFAOYSA-N 426.460 5.083 30 20 IKED N#Cc1ccc(CN2CCC(Nc3cccc(COCC(F)(F)C(F)F)c3)CC2)cc1 543759116 ASNDXTAWHOXMHW-UHFFFAOYSA-N 435.465 5.052 30 20 IKED N#Cc1ccc(OCc2ccc(-c3nc(Cc4coc(-c5cccs5)n4)no3)o2)cc1 545006000 OZDXPJRNABEDNK-UHFFFAOYSA-N 430.445 5.088 30 20 IKED Cc1c(C(=O)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)sc2ccc(C#N)cc12 556487682 CKYZKGQALCVMET-GOSISDBHSA-N 430.451 5.314 30 20 IKED CCS[C@@H](C)c1noc(CN(C)c2c(C#N)cnc3c(Br)c(C)ccc23)n1 568536550 QBBVXAICTWBIKY-LBPRGKRZSA-N 446.374 5.011 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C3CCOCC3)CC2)cc1Cl 570122322 SGDISRKUQUNDRH-HSZRJFAPSA-N 437.971 5.666 30 20 IKED C/C(=C\c1cccc(C(F)(F)F)c1)CNc1ccc2c(c1)CCC(=O)N2CCCC#N 572037465 IRIFJYCIDPNYMY-GHRIWEEISA-N 427.470 5.804 30 20 IKED N#Cc1ccccc1COc1cccc(CN2CCCC[C@H]2c2nnc(C3CCC3)o2)c1 579175345 QJFOUUZGSZEWRY-DEOSSOPVSA-N 428.536 5.515 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)c3nc4ccccc4cc3Br)s2)cc1 582746434 IROPLPZEIKPMKD-UHFFFAOYSA-N 449.333 5.169 30 20 IKED O=C(NCc1ccc(F)cc1C(F)(F)F)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 588952292 JCFULLBNEBETOB-UHFFFAOYSA-N 448.298 5.235 30 20 IKED N#C[C@@H](C(=O)c1ccc(-n2cccc2)c(F)c1)c1nc2cc(C(F)(F)F)ccc2s1 591020040 CITVKFLUNUFFQT-AWEZNQCLSA-N 429.398 5.735 30 20 IKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)cc1 591514316 WGBLCCSKYVJAOI-UHFFFAOYSA-N 439.515 5.786 30 20 IKED Cc1ccc(Sc2ncccc2C(=O)Nc2nc(C)c(SCC#N)s2)cc1C 603775833 DCIOPFKUJFZBLX-UHFFFAOYSA-N 426.592 5.483 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H](c4cc5ccccc5[nH]4)C3)cn2)c1 603829168 LSYUHZKXGQMVFE-HXUWFJFHSA-N 437.503 5.638 30 20 IKED CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1sc(-c2ccccc2)cc1C#N 603968303 KLQVMOYNTMTPKC-HXUWFJFHSA-N 437.952 5.333 30 20 IKED COc1cc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c([N+](=O)[O-])cc1OC(F)F 603969003 UDHBQFMBSCBQDQ-UHFFFAOYSA-N 445.403 5.057 30 20 IKED Cc1c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)sc2cccc(F)c12 603995340 FEHWWAGFGDPJSX-UHFFFAOYSA-N 429.476 5.725 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](COC)c1cccc(C(F)(F)F)c1 605353751 UMQGUQPMDWFKTP-INIZCTEOSA-N 432.895 5.506 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c1 608805209 OQECGETXPPASKV-UHFFFAOYSA-N 429.407 5.309 30 20 IKED Cc1ccc(-c2csc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)n2)c(C)c1 609496838 JVSOEJMBCBOGBG-UHFFFAOYSA-N 426.501 5.738 30 20 IKED N#Cc1cccc(OCCCCC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 609499542 LBEKCTSZPFNARP-HUUCEWRRSA-N 436.396 5.133 30 20 IKED C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 610016764 SDOMWHOSSAEOAO-INIZCTEOSA-N 428.467 5.101 30 20 IKED Cc1noc(C(F)F)c1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 610431326 FKKLPELIXYOXEV-UHFFFAOYSA-N 442.369 5.111 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)Nc3cc(Br)c(F)cc3Cl)CC2)cc1 611245794 JIPYHNABQPATBO-UHFFFAOYSA-N 434.696 5.434 30 20 IKED N#CCCSc1ccccc1NC(=O)C(=O)Nc1cccc(Sc2ccccc2)c1 615298399 WYDRXEIUQCSXSN-UHFFFAOYSA-N 433.558 5.421 30 20 IKED C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 669818291 NYHHWFOITTUSEP-HRCADAONSA-N 432.412 5.183 30 20 IKED O=C(c1ccc(-c2cc(F)c(F)c(F)c2)cc1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674443217 AANIITIYGSIBDX-BETUJISGSA-N 441.293 5.584 30 20 IKED CC(F)(F)CCC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 679995389 TUFHBYBRUNSBLZ-LLVKDONJSA-N 431.245 5.879 30 20 IKED C=CCN(C(=O)c1cncc(COC)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 680883329 MBTFBHWNSQFZQM-UHFFFAOYSA-N 441.556 5.851 30 20 IKED C[C@H](CNC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 682406617 MYXCTMCNHHMYAF-OASPWFOLSA-N 436.318 5.191 30 20 IKED O=C(Nc1cccc(SC(F)F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 727598353 ZJEWNIXTYTVLMM-JZYVYDRUSA-N 436.368 6.032 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 728063183 YSRDMLFNGDQQDI-SFHVURJKSA-N 444.491 5.101 30 20 IKED Cc1sc2nc([C@@H](C)OC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)nc(O)c2c1C 728669953 VALBDWSABGFROS-CQSZACIVSA-N 445.500 5.596 30 20 IKED N#C[C@@H](C(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1)c1ccc2ccccc2n1 730393781 BNLDNJMRTMGDIT-CLOONOSVSA-N 430.479 6.223 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=S)Nc1ccc2ccccc2c1 730955074 TVJGSUXGDFQERE-UHFFFAOYSA-N 431.508 6.673 30 20 IKED N#CCOc1ccc(CC(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)cc1 731971590 FNCONVZYJNPZKH-UHFFFAOYSA-N 428.275 5.264 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1 733855295 OSWANWBXBKWUDP-JOCHJYFZSA-N 441.491 5.038 30 20 IKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N[C@](C)(C#N)C4CCCCC4)cc3)ccc12 734239036 WNFKSYJXQIQCNU-HHHXNRCGSA-N 444.531 5.273 30 20 IKED Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)CC1CCOCC1 735245747 QBRUALVWINPROG-OAQYLSRUSA-N 439.537 5.024 30 20 IKED C/C(=C\C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1cccc(C(F)(F)F)c1 744060988 DNVCSUXRCORLNM-CECLQJIQSA-N 437.446 5.980 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)cc1 748617654 AGLVHPXGLGBSOD-XPWALMASSA-N 431.333 5.847 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc(OCc3ccccn3)cc2)cc1 751600996 DBRKMYIJAXNISC-HHHXNRCGSA-N 433.511 5.497 30 20 IKED COC(=O)C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1 752636773 MRNHNKPLNHSLNO-PKTZIBPZSA-N 447.922 5.421 30 20 IKED N#C[C@H](C(=O)CCSc1ccccn1)c1nc(-c2ccc(Cl)cc2Cl)cs1 756232153 SCDRYHAXYGNOCD-CQSZACIVSA-N 434.373 5.871 30 20 IKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc(C2CCCCC2)[nH]n1 759204960 HANWVHDVFQUTIA-LJQANCHMSA-N 428.492 5.211 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1 760087482 WJPDNADJQKVOIC-ACJLOTCBSA-N 438.380 5.633 30 20 IKED N#CCOc1cc(F)ccc1NC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 760801172 PTZAGCJUCUIOFS-UHFFFAOYSA-N 436.830 5.079 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)c3ccccc3OCc3ccc(Cl)cc3)CCO2)c1 762300037 OTBRNBJBNSKGFR-DEOSSOPVSA-N 432.907 5.004 30 20 IKED Cc1nc2scc(C3CC3)n2c1C=Nn1c(S)nnc1Cc1cccc2ccccc12 764666787 MZPFLPUZACKEPP-UHFFFAOYSA-N 444.589 5.088 30 20 IKED N#CCCCn1cc(C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c2ccccc21 767931412 UONCVARBRZBWQE-DEOSSOPVSA-N 435.955 5.184 30 20 IKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)/C=C\c2cccc(Cl)c2)cc1 768883796 XYWXBDDTQZCFFT-SQFISAMPSA-N 438.936 5.398 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2(OCc3ccccc3)CCOCC2)cc1 772055858 HRSPXVPXNMULPD-RUZDIDTESA-N 426.516 5.047 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)C1CC1 777297729 UNBREAVQSBSAQW-IRXDYDNUSA-N 445.972 5.333 30 20 IKED Cn1nc(C(F)(F)F)c(C=NNc2ccc(Br)cc2C(F)(F)F)c1Cl 781593754 YIDCQEGXUNZESB-UHFFFAOYSA-N 449.580 5.320 30 20 IKED CC(=NOCc1cc(-c2ccccc2)no1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 784048945 IFFCYMHDWFPILU-UHFFFAOYSA-N 441.413 5.190 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cc(N2CCNC2=O)ccc1C)c1ccc(C(F)(F)F)cc1 786238916 CYZBULVQFPAWJS-LJQANCHMSA-N 446.473 5.372 30 20 IKED N#C[C@H](C(=O)[C@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1)c1nccc2ccccc12 792094155 DDHKOZUVULAWMW-ATWJRTEQSA-N 443.934 5.159 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2C[C@@H](C)CC[C@H]2c2ccccc2OC)c1=S 795676898 VPEUIUFFHUEZEE-RXVVDRJESA-N 435.597 5.101 30 20 IKED COC(=O)[C@@H](Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1)c1cccc(C#N)c1 797865252 SMBSQNIXSLRBBP-QFIPXVFZSA-N 438.430 5.161 30 20 IKED C[C@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(C(F)(F)F)cc1 798820058 AHFUSVSIUZMKDA-FZMZJTMJSA-N 436.405 6.087 30 20 IKED Cc1cc(-c2nnc(N3CCC(C#N)CC3)n2Cc2cccs2)c(C)n1-c1ccccc1 802697194 XWBWWOJLJSYFDL-UHFFFAOYSA-N 442.592 5.202 30 20 IKED Cc1nn(CC(C)C)c(C)c1CCC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915104087 JXXCINICRYCSGT-KRWDZBQOSA-N 448.514 5.594 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=S)Nc2ccc(SC(F)F)cc2)cc1 916012835 SFXFLANEVVFCQZ-UHFFFAOYSA-N 431.455 5.634 30 20 IKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)c1 916207787 LKHZAHADLWMBIV-SFHVURJKSA-N 447.482 5.137 30 20 IKED O=C(O)c1cc(NN=Cc2cccc(NC(=O)c3ccccc3Cl)c2)ccc1Cl 916259375 IHJVLXXFHIIZLS-UHFFFAOYSA-N 428.275 5.390 30 20 IKED N#CCCn1cc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)c2ccccc21 916278688 PNLUDYFDDPWOBU-UHFFFAOYSA-N 436.544 5.061 30 20 IKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 916896873 PSRJMAVJJCFYPN-ISKFKSNPSA-N 448.975 5.819 30 20 IKED COCc1c(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)oc2ccccc12 916911046 UVXLAMDHYOWRTF-IBGZPJMESA-N 440.455 5.333 30 20 IKED Cc1cc(C)c(C(=O)CCCC(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)c(C)c1 916938714 MSTDDDSTSLLIRT-KRWDZBQOSA-N 428.891 5.105 30 20 IKED Cc1cc(C)n([C@H](C)CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1 916997330 WDVIEBCYQCUQEY-CJNGLKHVSA-N 433.364 5.758 30 20 IKED C[C@H](Sc1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042171 CXQUOVRBKOOYLR-HZMBPMFUSA-N 440.899 6.326 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1OC(F)F 917144943 MANCGBULGYCQCO-XQRVVYSFSA-N 442.212 5.172 30 20 IKED Sc1nnc(-c2ccccc2Br)n1N=Cc1ccc(-c2ccccc2)o1 917539914 ILUIISSCASGXRW-UHFFFAOYSA-N 425.311 5.139 30 20 IKED N#Cc1ccsc1NC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12 917562463 QZHUPPNMZBNBOB-UHFFFAOYSA-N 434.318 5.850 30 20 IKED Cc1ccc([C@@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(C)c(C)c2)s1 920172958 LQEMJWWLFLTDNP-OXQOHEQNSA-N 441.622 5.035 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)OCc1ccccc1SCc1ccccc1 1129383348 LLEWXVSRGVEXSQ-UHFFFAOYSA-N 432.545 5.244 30 20 IKED N#Cc1ccc(CN(Cc2cc(F)ccc2OC(F)F)c2ccc3nc(O)[nH]c3c2)cc1 1167789802 XNTBPIMJVLBSCT-UHFFFAOYSA-N 438.409 5.087 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(C)oc4C(F)(F)F)CCC3)cc2)C1 1785807544 WQBJBANFGOZABH-UHFFFAOYSA-N 432.442 5.321 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccsc4)cc3)CCC2)cc1 1786944837 PUQCRWJYPJWKAV-NYYWCZLTSA-N 427.529 5.081 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3nc4ccccn4c3C)cc2)CCC1 1788935060 AUGGUDBECJKECU-UHFFFAOYSA-N 444.579 5.383 30 20 IKED CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc2)cc1 1790338727 GTVQOELJLOZUON-MTDXEUNCSA-N 443.547 5.099 30 20 IKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc(F)ccc3Cl)cc2)CCC1 1790670000 ALPYYGWSCWBZFR-UHFFFAOYSA-N 432.948 5.146 30 20 IKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1sc2ccccc2c1Cl 1797460369 UPNXYJDHFJXDMM-BCDXTJNWSA-N 443.012 5.575 30 20 IKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3cccc(Cl)c3)CCCC1)C2 1801641336 AQUXPQSPAGADLQ-HLRQEUIKSA-N 429.004 5.002 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)CC1 1810120521 OXDHUPINOVXOJW-UHFFFAOYSA-N 449.639 5.324 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)cc(F)c2F)n[nH]1 1823221139 JNOXTIFUDWRKTH-GOSISDBHSA-N 448.489 5.125 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sccc2OCC)CC1 1823647332 SURGZMOUHKKNEN-FQEVSTJZSA-N 446.657 5.373 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](F)c2ccccc2)CC1 1824858512 RNBSLVDLWAJHDS-DHIUTWEWSA-N 428.592 5.309 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 1828400090 DGLYSULMCNZLBV-QMTRIVCPSA-N 443.031 5.275 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C(C)=C/c2ccc(C)o2)CC1 1829008857 UGAROHKBCKWTQF-ARHOYUFESA-N 440.628 5.603 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)cccc2F)CC1 1829888319 FLAUHOAEAQCBCM-OAQYLSRUSA-N 432.555 5.191 30 20 IKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccccc2)cc1 10760861 LLTFNCBASPFXQS-UHFFFAOYSA-O 427.952 5.941 30 20 IKED Cc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)Nc1cccc(C#N)c1 14736161 DHTAWCWBGSDBKN-UHFFFAOYSA-N 435.483 5.290 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(C)c(C)c1)[n+]1ccc2c(c1)CCCC2 14871887 MULZXGQRSPPUQD-UHFFFAOYSA-O 443.636 6.083 30 20 IKED CC(=O)N(c1nc(/C=C2\CCOc3ccc(C)cc3C2=O)cs1)c1ccc(F)cc1F 15189042 ZNRFGMGLVADCPI-XNTDXEJSSA-N 440.471 5.463 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Cl)nnc1-c1ccc(Cl)cc1 16862728 MFRZOHFEXCENDN-ZDUSSCGKSA-N 433.364 5.557 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 25438168 VYSDDHUPSFRXJQ-QHCPKHFHSA-N 445.950 5.641 30 20 IKED C=CCN(C(=O)Cc1csc(Cc2ccccc2)n1)c1nc(-c2ccccc2)cs1 33153201 WCQMIOLAAWNSNY-UHFFFAOYSA-N 431.586 5.619 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3N3CCOCC3)cc2Cl)cc1 61189097 CLFVMLIBVNCZGP-UHFFFAOYSA-N 433.895 5.093 30 20 IKED CC(=O)N(c1nc(/C=C2/CCc3cc(O)ccc3C2=O)cs1)c1ccc(F)cc1F 95396985 GJNSRUCJGZBJBW-ZSOIEALJSA-N 426.444 5.024 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(-c2ccccc2Cl)noc1C 97392297 MZMGLVIMZWLZAS-UHFFFAOYSA-N 444.878 5.923 30 20 IKED N#C[C@@H](C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1nc2cc(Cl)ccc2s1 216009668 HAWRGBHWUGWKDC-ZDUSSCGKSA-N 440.893 5.471 30 20 IKED N#Cc1ccc(-n2c(SCc3ncc(-c4ccccc4)o3)nc3ccccc3c2=O)cc1 302909354 IQUHVQBCARHVMR-UHFFFAOYSA-N 436.496 5.205 30 20 IKED C=CCOc1ccccc1CNC(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 303452929 JBIPQZKVHGWVJG-LJQANCHMSA-N 429.520 5.064 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2ccc(C#N)c(Cl)c2)ccc1OCc1ccncc1 410016113 OTXZGEIBGJXIFW-HNNXBMFYSA-N 436.899 5.077 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3ccc(OC)cc3)no2)nnc1-c1ccc(OC)cc1 426507109 BVJPOTKWFCMCBG-HNNXBMFYSA-N 449.536 5.052 30 20 IKED CCN([C@H](c1ccc(C(C)C)cc1)c1cccnc1)S(=O)(=O)c1ccc(F)c(C#N)c1 431900421 SZPJXFMOYWWSAX-XMMPIXPASA-N 437.540 5.016 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 432094659 HBAARRKSDSDKKP-OUCADQQQSA-N 436.400 5.440 30 20 IKED C=CCC[C@H](NC(=O)C(=O)Nc1nc(C(C)(C)C)cs1)c1ccc(C(F)(F)F)cc1 434811637 BHWFMKMSHQSMDW-HNNXBMFYSA-N 439.503 5.222 30 20 IKED N#CCCn1cc(CN2CCC(Sc3ccc(Cl)cc3)CC2)c(-c2ccncc2)n1 435135227 NKEABIPTFAEWSH-UHFFFAOYSA-N 438.000 5.269 30 20 IKED CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)s1 437841761 PVUXKAHEUGMDRQ-KRWDZBQOSA-N 434.565 6.211 30 20 IKED C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H](c2ccc(F)cc2)O1 438023170 LCAYUZKFNPZCFZ-XDHUDOTRSA-N 431.467 5.484 30 20 IKED Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)NCc1cccc(C#N)c1 438443026 KOGXBADROYOGCH-UHFFFAOYSA-N 441.510 5.925 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCCc2cccc3cccnc23)cc1F 438667091 XFILJSWHOJOEMN-UHFFFAOYSA-N 426.451 5.402 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)cc1F 438667259 KCYLJTSCFPTXEM-RPWUZVMVSA-N 431.467 5.531 30 20 IKED Cc1cc(C)c(NC(=O)[C@H](C)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(Cl)c1 439665674 XKOLQBCETMIFDE-INIZCTEOSA-N 437.902 6.199 30 20 IKED C=CCC[C@H](NC(=O)Nc1ccc(OCC(=O)N(C)C)cc1)c1ccc(C(F)(F)F)cc1 442224648 RBSJBIANRGWFHL-FQEVSTJZSA-N 449.473 5.001 30 20 IKED N#Cc1nc(Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)ccc1C(F)(F)F 443432869 RECJAIIVCBWHQD-UHFFFAOYSA-N 426.427 5.198 30 20 IKED Cc1cc(-c2cc(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)c3c(C)noc3n2)c(C)o1 443883427 LQGAZZPDDQOTTQ-UHFFFAOYSA-N 440.381 5.551 30 20 IKED N#CCCSc1ccccc1NCc1noc(Cc2ccc(Br)cc2)n1 444399376 JSDTVGVUQWBGKL-UHFFFAOYSA-N 429.343 5.041 30 20 IKED Cc1cc(C)c(C[C@H](c2nc(COCC(F)(F)C(F)F)no2)C(F)(F)F)c(C)c1 445753028 XUCAZTBORMQPIW-CYBMUJFWSA-N 428.348 5.300 30 20 IKED C[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(Cl)cc1Cl 446259728 FHCOECALYVRDKU-AWEZNQCLSA-N 445.350 5.459 30 20 IKED CCn1nccc1C1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 447768350 YPFXQFSGBHLOQN-UHFFFAOYSA-N 430.577 5.087 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 448352158 CFUPUTHRYSLZJQ-MRXNPFEDSA-N 446.041 6.523 30 20 IKED C[C@@](C#N)(CCc1ccccc1)NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 461096766 VPBYFZLDDOMAKJ-QFIPXVFZSA-N 441.318 5.221 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 463715725 PPFLKUDHXFBNLC-UHFFFAOYSA-N 427.552 5.448 30 20 IKED COc1cccc(/C=C(\CC(=O)N[C@](C)(C#N)C(C)(C)C)c2nc3ccccc3s2)c1 464162392 APDMMBNRHWZQOV-KFGDZMGLSA-N 433.577 5.680 30 20 IKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)cc(-c3ccccc3)nc21 464472293 DHZLGXOUFJNTLC-GOSISDBHSA-N 449.436 5.583 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](C)c2nc(-c3ccncc3)cs2)cc1 464964040 PTHFQTLSYYEHPS-QGZVFWFLSA-N 440.528 5.669 30 20 IKED CC(C)(C)c1nnc(CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)s1 467370662 QIXKYGVHSGQFPU-UHFFFAOYSA-N 426.929 5.083 30 20 IKED CN1CCC(=O)Nc2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)ccc21 467988374 MAIQPMSYNKKDLS-UHFFFAOYSA-N 446.894 5.035 30 20 IKED Cc1nc2c(s1)CCC[C@@H]2C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 468985535 MMSKJYRILHEAFI-SFHVURJKSA-N 437.952 5.614 30 20 IKED Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)nnn1CC1CCCC1 469346345 OAOVYOPREXUQMV-UHFFFAOYSA-N 437.491 5.054 30 20 IKED FC(F)(F)c1cc([C@@H]2CN(c3nccc(C(F)(F)F)n3)CCO2)cc(C(F)(F)F)c1 469558240 IHWZXFGYYGENOG-LBPRGKRZSA-N 445.285 5.111 30 20 IKED CC1(c2ccccc2)CCC(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 470529299 DPVWVAGJKGINIP-UHFFFAOYSA-N 444.579 5.292 30 20 IKED COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 472441537 YRMJWOINKUNIPS-WSNNEZGNSA-N 426.516 5.223 30 20 IKED C[C@H](NC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 482082393 PCGAUKOBZPRJBP-AFWDCEBSSA-N 425.532 5.363 30 20 IKED COc1cc(OC2CC2)ccc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 482591056 YQDVPYCVUQZCPB-OAHLLOKOSA-N 426.444 5.128 30 20 IKED Cc1cccc(C(=O)N2CCCC2)c1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 483044599 UHHMBAFHRITDEZ-UHFFFAOYSA-N 425.488 5.147 30 20 IKED Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 484548638 AASFWRSTGOENOR-KRWDZBQOSA-N 432.833 5.106 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccncc1 489405545 OBDSGSTWPYQZCA-UHFFFAOYSA-N 441.560 5.314 30 20 IKED C=CCn1c(SCc2csc(CC(=O)OC(C)C)n2)nnc1-c1cccc(Cl)c1 489635979 FVLOJKWPMROMTC-UHFFFAOYSA-N 449.001 5.027 30 20 IKED COc1ccccc1[C@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccco1 489745951 WMCBCUFBHXLBEL-MWTRTKDXSA-N 449.576 5.196 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cnn(CCC(C)C)c2C(C)C)cc1C 490554806 JBWGBILSHHANCP-UHFFFAOYSA-N 446.599 5.699 30 20 IKED CC(C)c1nc([C@H]2CCCCCN2C(=O)Nc2ccccc2SC[C@H](C)C#N)no1 501410400 VNUGJMXICGAJGO-SJLPKXTDSA-N 427.574 5.594 30 20 IKED C=CCN(C(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1nc2c(s1)CCCC2 501920102 WDSWKDHBADNSCV-UHFFFAOYSA-N 432.471 5.059 30 20 IKED C=CCN(C(=O)[C@H]1CCO[C@@H](CC)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502568557 HBOTWRSIWFBZCL-GJZGRUSLSA-N 425.381 5.841 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(NC(=O)CCC)c1 502633042 JONZGYOSZNIUFR-UHFFFAOYSA-N 448.336 5.547 30 20 IKED CC(C)Oc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cn1 503110846 OQQJCRSEDWTKLW-OAQYLSRUSA-N 434.927 5.499 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 503421927 PAOIYDIDLWZQBT-SFHVURJKSA-N 441.560 5.318 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)N(C)Cc2ccccc2C)cc1 507809099 FITQTIKRFGVMKY-IBGZPJMESA-N 429.520 5.127 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCCC[C@H]1Cc1ccccc1Cl 508426211 QCRABYRPIBLMRI-NRFANRHFSA-N 426.992 5.014 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NC2(Cc3cccc(F)c3)CCOCC2)cc1 508602667 ABNJUXSLKZNWMK-UHFFFAOYSA-N 448.469 5.150 30 20 IKED C=CCn1c(-c2cccc3ccccc23)nnc1N(C)Cc1csc([C@H](C)OCC)n1 508992574 ANCXFCYHMQLCPU-KRWDZBQOSA-N 433.581 5.475 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccccc1CN1CCCC1 510538597 MXMZWCGNPQGAJJ-UHFFFAOYSA-N 440.547 5.577 30 20 IKED COc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 511510676 ANVAPEGEOBCDBF-DEOSSOPVSA-N 440.503 5.188 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1 513152972 FFQXNAGMXHTHII-IBGZPJMESA-N 437.446 5.754 30 20 IKED N#C[C@H](C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2s1 513659119 CRUSHTZIGWUXFA-QGZVFWFLSA-N 431.904 5.692 30 20 IKED C[C@H](C#N)CN(C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)C1CC1 513765813 JZUJRWYBTDNHNB-CQSZACIVSA-N 430.430 5.114 30 20 IKED C=CCN(C(=O)c1cnc2n1CCCC2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 516523854 PGOVVDQAMLKNFJ-UHFFFAOYSA-N 433.364 5.483 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OCC(F)(F)F)cc3)n2)cc1 516713781 JFNOSOGRPZLUIR-QGZVFWFLSA-N 432.423 5.250 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc2nc(C(F)F)[nH]c2c1 518522274 ACIRKZOFWFHAIF-UHFFFAOYSA-N 432.430 5.512 30 20 IKED CCn1c([C@H]2CCCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)nc2ccccc21 518755292 DMLKBHMTUVTGSA-DYESRHJHSA-N 433.581 5.819 30 20 IKED CCN(CC)[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccsc1 518782256 QWOOSIFAJLPMIN-HSZRJFAPSA-N 449.645 5.725 30 20 IKED C=CCN1CCC(NC(=O)c2ccccc2SCc2ccc(Br)cc2)CC1 519274758 OOZKAIWHLNDHEZ-UHFFFAOYSA-N 445.426 5.122 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCCCC[C@H]1c1ccncc1 524438160 SEAUPHFFZVOBRV-SANMLTNESA-N 440.547 5.990 30 20 IKED C[C@](C#N)(CCc1ccccc1)NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 532687468 WNSKVUYKYJXFJF-RUZDIDTESA-N 442.544 5.013 30 20 IKED Cc1[nH]nc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1-c1ccccc1 535662976 UZVWDHBCPROFEW-UHFFFAOYSA-N 428.879 5.955 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Br)cc1C(F)(F)F 538442145 DCWYAOARPWJLQH-LLVKDONJSA-N 443.288 6.114 30 20 IKED COc1cc([C@H](C)NC(=O)c2ccc(C3(C#N)CC3)cc2)ccc1OCc1ccccc1 539630538 XJCWDRICJXGGOL-IBGZPJMESA-N 426.516 5.320 30 20 IKED C[C@@H](NCc1nnc(-c2ccc(Br)o2)o1)c1ccc(-c2cccc(C#N)c2)cc1 541084263 NLZQCVHUUITBQC-CQSZACIVSA-N 449.308 5.482 30 20 IKED Cc1ccc(CN(Cc2ccco2)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)s1 542963096 VQFMWIZBFFONIX-UHFFFAOYSA-N 435.484 5.080 30 20 IKED C[C@H](NC(=O)N(C)Cc1cnn(-c2ccccc2)c1)c1ccc(-c2cccc(C#N)c2)cc1 543018593 VEDSNSYRLWUKGA-FQEVSTJZSA-N 435.531 5.314 30 20 IKED N#Cc1ccc(OCc2ccc(-c3nc(-c4ccc(OC5CCOCC5)cc4)no3)o2)cc1 545789690 PRGAQANUWZGCSQ-UHFFFAOYSA-N 443.459 5.005 30 20 IKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)CCc1cc(Br)cs1 553190109 AYOYMBHMETUFAS-UHFFFAOYSA-N 425.351 5.548 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(COCc4ccco4)c3)CC2)c(F)c1 558293440 YLBDEXYGFBEARV-UHFFFAOYSA-N 449.482 5.082 30 20 IKED CCOC1(C)CCN(C(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)CC1 560940882 KOLFVKRDWYKCEY-UHFFFAOYSA-N 441.597 5.056 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Nc4ccccc4)c3)n2)cc1 564381893 QSQPKXHDBBXIDW-QFIPXVFZSA-N 425.513 6.052 30 20 IKED CC[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ncc(-c2ccccc2)[nH]1 564440867 FZHKVLIDSRSJNE-JOCHJYFZSA-N 438.491 5.408 30 20 IKED N#CCCN(C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)c1ccc(F)cc1 576320906 SCAGBIHZRRJOON-UHFFFAOYSA-N 430.266 5.880 30 20 IKED COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 578562764 VRDZNAKXSLUDAQ-HOYKHHGWSA-N 442.519 5.759 30 20 IKED COc1cc(C#N)ccc1NC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C 579784747 XLQADJUXEXHUMJ-UHFFFAOYSA-N 425.492 5.120 30 20 IKED C=CCn1c(SCC(=O)N(c2ccccc2C)C(C)C)nnc1-c1ccc(Cl)cc1 591786539 FLQOGCPZROGJAX-UHFFFAOYSA-N 441.000 5.627 30 20 IKED N#Cc1ccc(Br)c(CNc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)c1 600850216 UBPAXFKJWKZHNQ-UHFFFAOYSA-N 438.247 5.300 30 20 IKED CCN(C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)[C@@H](C)c1ccc(C#N)cc1 603529421 RUFVGSZTEZRTIO-HNNXBMFYSA-N 443.494 5.853 30 20 IKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3nc(N4CCCC4)ncc3Cl)c2C#N)C1 603751122 KKXQNQJWVPEORA-CYBMUJFWSA-N 444.004 5.067 30 20 IKED CCc1cccc(CC)c1NC(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCC2 603818366 DOJAJBJDIMOMRI-UHFFFAOYSA-N 431.561 5.558 30 20 IKED Cc1ccc(C)c([C@@H](C)N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 604500702 XPTPYOCFJQSLTH-LJQANCHMSA-N 426.520 5.652 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2OC)cc1 609046479 FMZFRXXSLJCQKJ-JOCHJYFZSA-N 443.503 5.737 30 20 IKED CCOc1ccccc1CCNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 609049922 MYIIBYKULHYAIL-UHFFFAOYSA-N 431.511 5.051 30 20 IKED CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609056779 GFTQOBXWEOXGBW-PZJWPPBQSA-N 441.984 5.026 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 609079246 QVZVBWMHHPFDNU-VWLOTQADSA-N 445.494 5.190 30 20 IKED CC(C)(CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccccc1Cl 609089923 ONDDZZNTJHQZDU-UHFFFAOYSA-N 447.922 5.036 30 20 IKED Cn1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(-c2ccncc2)n1 609164528 PYNRSWACQPNQSQ-HXUWFJFHSA-N 427.895 5.043 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C1CCN(c2nc3ccccc3s2)CC1 609377450 XNRXVCBOJHXSCF-MRXNPFEDSA-N 436.606 5.403 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccccc3)CC3CCOCC3)cn2)cc1 609553598 CGBVBUDRKNSTAV-UHFFFAOYSA-N 442.519 5.206 30 20 IKED CCN(C(=O)c1cc2ccccc2n1CC#N)[C@H](c1cccnc1)c1ccc(F)c(C)c1 609580159 VTBUWYFGGJRBSQ-VWLOTQADSA-N 426.495 5.259 30 20 IKED N#Cc1cc(NC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)ccc1Cl 609754023 SPNMQHGTLZRAGP-UHFFFAOYSA-N 427.938 5.256 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 609785970 WBEIXHDPBHUSHO-UHFFFAOYSA-N 437.839 5.102 30 20 IKED Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)C1(C#N)CCCCC1 610051339 HSVFTXHTHCIYCZ-AWEZNQCLSA-N 432.387 5.532 30 20 IKED COc1cc([C@@H](C)NC(=O)N[C@H](C)c2cccc(C#N)c2)ccc1OCc1ccccc1 610348124 KIVUAKDNIIYRND-RTBURBONSA-N 429.520 5.267 30 20 IKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N[C@@H](C)c1cccc(C#N)c1 610359063 DRFVNRMMWUDKOE-ZDUSSCGKSA-N 427.335 5.088 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](OCCCc4ccccc4)C3)cn2)cc1 610629583 OCYXWCYLKSXNJJ-XMMPIXPASA-N 442.519 5.001 30 20 IKED Cc1nn(C)cc1[C@@H]1CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 610730166 HCWZPMRPBSBZPW-REWPJTCUSA-N 433.943 5.406 30 20 IKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC[C@H](c2nc3ccccc3s2)C1 612314439 AKSHKWVUWIAXSV-KRWDZBQOSA-N 443.494 5.256 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 615485613 LLYBHVYYFRGBCT-UHFFFAOYSA-N 433.483 5.307 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2cccc(Cl)c2)n1)c1nc2cc(C(F)(F)F)ccc2s1 617898148 MZIOESSOIHXPOJ-CQSZACIVSA-N 446.841 5.644 30 20 IKED C=CCN(C(=O)c1sc(-c2ccc(OC)cc2)nc1C)c1nc(-c2ccccc2)cs1 622635248 KXEGHQMKZMVWCJ-UHFFFAOYSA-N 447.585 6.083 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(F)c(F)c2)nnc1-c1ccc(Cl)cc1 641978779 UAQZILVZMGNERJ-ZDUSSCGKSA-N 448.926 5.032 30 20 IKED C[C@H](NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)c2ccccc12 673238194 AQYRIJJJITYFHS-YNEHKIRRSA-N 436.371 5.812 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 674442212 GSGKIBVZCJTPMV-VXGBXAGGSA-N 426.357 5.070 30 20 IKED CC1CCN(c2ccc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cn2)CC1 680617222 IZLADCNBGZXSIG-INIZCTEOSA-N 444.482 5.436 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N[C@H]1C[C@H](c2cccc(F)c2)C1 684804827 UILQKQUSOICWMV-ABHRYQDASA-N 426.376 5.280 30 20 IKED CCc1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(C(C)C)cc2)cc1 726570167 VCZBDCVYAHIFFT-UHFFFAOYSA-O 446.596 5.166 30 20 IKED CC(C)Cc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccccc2)cc1 726571277 QNGONTZMWBWSET-UHFFFAOYSA-O 448.999 6.021 30 20 IKED C[C@@H](OC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1cccc(C#N)c1 727637262 VGYCSGPQRFTNJL-KDOFPFPSSA-N 431.319 5.022 30 20 IKED N#C[C@H](C(=O)/C=C/c1cccc(OC2CCCC2)c1)C(=O)Nc1ccc(F)c(Cl)c1 727953982 JUQXYLUASJZVTQ-UFUQCMIWSA-N 426.875 5.161 30 20 IKED COc1ccc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1F 728120274 ZFERXPHIXZZFRV-UHFFFAOYSA-N 433.483 5.257 30 20 IKED COc1cccc([C@@H](C#N)NC(=O)c2ccc(-c3nc4ccccc4s3)s2)c1OC 729427382 JILARSPEFBPSCP-OAHLLOKOSA-N 435.530 5.037 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 729655859 WAOIGWFYYJZYKC-ZDUSSCGKSA-N 449.429 5.330 30 20 IKED CC(C)(C)c1ccc(Oc2ccc(CNCc3ccc(OCC#N)cc3)cc2[N+](=O)[O-])cc1 729685289 DRUDYJGVKBDGOU-UHFFFAOYSA-N 445.519 5.877 30 20 IKED N#C[C@H](C(=O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1)c1nc2cc(F)ccc2s1 730417648 RDWGVIOHQVMPOG-XMSQKQJNSA-N 436.895 6.085 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 731114313 NKTUYIVDWKQNFB-ZHRRBRCNSA-N 427.545 5.055 30 20 IKED CC(C)c1ccc2c(Cl)c(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)sc2c1 732638152 RKNALCPGBCZOPJ-UHFFFAOYSA-N 438.984 5.344 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2-c2nc3ccccc3s2)c1 733842198 RVFUAFJBVYAGQX-GOSISDBHSA-N 442.544 5.966 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C)s2)[n+]2cccc(O)c2Cl)c1 735667284 VWGPZQVVZLRAOF-UHFFFAOYSA-O 427.958 5.008 30 20 IKED Cc1oc(NC(=O)COC(=O)c2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)c(C#N)c1C 741380240 ULLHMFAUPJPPLD-UHFFFAOYSA-N 447.491 5.048 30 20 IKED COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)N[C@@H](C)c1ccc(C#N)cc1 742523177 AUVPBIJLBGTLJP-ZDUSSCGKSA-N 429.904 5.058 30 20 IKED Cc1c(C(=O)/C=C\c2cc(Cl)ccc2OC[C@@H]2CCCO2)cnn1-c1ccc(C#N)cc1 743055545 DZZCOECLIWHIDA-LPLSSMDUSA-N 447.922 5.160 30 20 IKED C#CCCN1CCC(NC(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)CC1 743490676 TVNBESIGNVWAFS-UHFFFAOYSA-N 447.431 5.503 30 20 IKED COc1cc(C=NO[C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)ccc1OC(C)C 744442235 AGQIGOABPVYJEH-AWEZNQCLSA-N 449.429 5.663 30 20 IKED CC(=O)CCc1ccc(OCCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 746778046 AKXOFYJWWWQLPN-AREMUKBSSA-N 426.516 5.271 30 20 IKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)cc1 749338378 PKYORVDMISCMTP-FQEVSTJZSA-N 433.533 5.121 30 20 IKED CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C1CCC(NC(=O)OC(C)(C)C)CC1 749440056 OERGBGHHFHQBCY-UHFFFAOYSA-N 449.551 5.258 30 20 IKED C[C@@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc([N+](=O)[O-])cc1F 755611867 UCILYARAUMKGEO-RNCFNFMXSA-N 437.374 5.342 30 20 IKED Cc1nc(C2(NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CCCCCC2)no1 757199087 PPOAXSNFPCLRBU-QFIPXVFZSA-N 429.524 5.405 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)c(Cl)c1 762996865 DKXONBYFKLNJHL-OAQYLSRUSA-N 425.315 5.784 30 20 IKED COc1ccc(/C=C\C(=O)c2ccc(OC(F)F)c(OC)c2)c(OCc2cccnc2)c1 766492908 ZPXMCLRYPDIMJM-TWGQIWQCSA-N 441.430 5.175 30 20 IKED CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 768249526 RNKXDLJQFAIJDX-LJQANCHMSA-N 435.977 5.241 30 20 IKED C[C@H](C#N)Oc1ccc(CNc2ccccc2CN(C)C(=O)c2cc3ccccc3o2)cc1 770586913 YQEQYTUOWHNXHS-LJQANCHMSA-N 439.515 5.608 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1C(=O)N(CCC)C(C)C 771534970 GWNGAOCHOUHDDZ-UHFFFAOYSA-N 438.528 5.076 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)ccc1NC(=O)OC(C)(C)C 772550269 FUCCGUXKUHKQHW-OAHLLOKOSA-N 445.878 5.096 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)n1 776527830 KOGIZYPATXKLMG-MDOVXXIYSA-N 447.963 5.233 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 780164192 VQXDPUDDZWWOTO-QGZVFWFLSA-N 442.906 5.736 30 20 IKED CCCOc1ccc(Oc2ncccc2CNC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 780675889 IJCLOCGDPWVKFZ-SFHVURJKSA-N 446.507 5.275 30 20 IKED COc1ccc(C[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 781448006 KXHWCMCRYJUWEW-KSSFIOAISA-N 440.952 5.536 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 789454646 CTCJXKXATFJAMG-SFHVURJKSA-N 429.605 5.696 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)[C@@H](C#N)c1nc2ccccc2s1 799600306 IILFOBCLAPZPNY-IECBHUPTSA-N 442.544 5.053 30 20 IKED Cc1cccnc1C(F)(F)C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 803756125 LZBLHTXUEJWHMD-UHFFFAOYSA-N 426.307 5.178 30 20 IKED C=CCOCCSC1=N/C(=C\c2cccs2)C(=O)N1c1ccc(OC)c(Cl)c1 814715108 ZHBOFPNOVMYNQS-LGMDPLHJSA-N 434.970 5.090 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1nc2c(s1)CCCC2 814729468 QWRBLEJRNHVYBN-UHFFFAOYSA-N 440.981 5.304 30 20 IKED C[C@H](Cc1cnc2ccccc2n1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 815911162 TULXMOSYOQRBKE-KDOFPFPSSA-N 432.936 5.462 30 20 IKED O=C(CC1CCCCC1)NC1CCC(C(=O)N(O)Cc2cc(Cl)cc(Cl)c2)CC1 901378877 REJRBFYRYVBIQQ-UHFFFAOYSA-N 441.399 5.357 30 20 IKED Cc1cc(C)c(N2C[C@H](C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2=O)c(C)c1 915085370 LHWAMLAVCWBRMY-NOZRDPDXSA-N 437.543 5.259 30 20 IKED CC(C)(C)c1ccc(/C=C\C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 916888009 SHESFXOFPQKPTR-JCKYIPBCSA-N 428.504 5.660 30 20 IKED N#C[C@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1nnc2n1CCCCC2 917505655 RGQODJWTYVJNNF-OAQYLSRUSA-N 441.510 5.101 30 20 IKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2cccc(C(C)C)c2)[n+]2ccccc2)N=C1C 917614209 AKWKBOIAJRYKNE-UHFFFAOYSA-O 434.585 5.415 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)COc1ccc(C2SCCCS2)cc1 917827823 MSUYKJZGUZVQNA-UHFFFAOYSA-N 429.607 5.158 30 20 IKED COc1cc(C(=O)/C=C\c2csc(COc3ccc(Cl)cc3)n2)cc(OC)c1OC 918714317 ZIJZFGDYZKXBLO-TWGQIWQCSA-N 445.924 5.297 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2nc3cc(Cl)ccc3s2)cc1 920783572 PCIJKFJJUOUARG-IBGZPJMESA-N 432.936 5.927 30 20 IKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(CC)[C@@H](C)C(C)C)ccc1Cl 921296368 KHOOMUGSJZVYHB-SFHVURJKSA-N 449.016 5.228 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)C45CC(c6ccccc6)(C4)C5)CCC3)cc2)C1 1785809082 NPTTVKLVGPMDTN-UHFFFAOYSA-N 426.560 5.209 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CNc4ccccc43)cc2)CCC1 1788047265 PNRYPCOLMVGGOL-GMAHTHKFSA-N 429.564 5.098 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)nc4ccc(O)cc34)cc2)CCC1 1789242678 BBCPFHZKWVXGNF-QGZVFWFLSA-N 443.547 5.209 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cnccc34)CCC2)cc1 1789626306 JNHQQBAKRQCCEH-UHFFFAOYSA-N 430.552 5.303 30 20 IKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)cn1 1792122687 RPLKOKUIBIVUSH-SFHVURJKSA-N 438.531 5.079 30 20 IKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@]4(C)CC4(F)F)CCC3)cc2)c1 1792124370 VLMYZYZKNDJMBM-WAIKUNEKSA-N 437.490 5.107 30 20 IKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(F)cc1C(F)(F)F)C2 1798593974 TUYDBFBYQDTIJL-BJWYYQGGSA-N 440.481 5.089 30 20 IKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)CCCCCC(C)(C)C)CC2)C1 1806016421 KIPHFRFHMZXPEX-UHFFFAOYSA-N 434.665 5.197 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)n[nH]1 1822021029 XJTBEQZXCUYWCM-HDAAZOAOSA-N 426.605 5.221 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sccc2OCC)CC1 1823646659 IYURWIWNXFCUCL-NHCUHLMSSA-N 444.641 5.149 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CSC2CCCC2)CC1 1824476013 HGVYKKVFBWNSHY-QHCPKHFHSA-N 432.674 5.050 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2)CC1 1826500873 ABWMPAQPDCSVMH-DNQXCXABSA-N 443.031 5.271 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2)CC1 1826500875 ABWMPAQPDCSVMH-ZEQRLZLVSA-N 443.031 5.271 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3ncccc3c2)CC1 1828828844 SHTBKQMZEDWFGA-RSXGOPAZSA-N 445.607 5.237 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)cc2F)CC1 1829068927 YNMPRMBNZFRBTL-JOCHJYFZSA-N 432.555 5.191 30 20 IKED C=C(C)CN/C(S)=C(/C(=O)c1ccc(Cl)cc1Cl)[n+]1ccc2c(c1)CCCC2 22795173 AKGDSGVPYBRMFI-UHFFFAOYSA-O 434.412 5.264 30 20 IKED Cc1ccc(N/C(S)=C(\C(=O)c2cc(C)[nH]c2C)[n+]2ccc(C(C)(C)C)cc2)c(C)c1 23603677 CDRXALVHCXITQO-UHFFFAOYSA-O 434.629 5.884 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c1 28628486 UZYPFIPZCFYPRY-UHFFFAOYSA-N 426.929 5.046 30 20 IKED C[C@H](Sc1nnc(-c2cccs2)n1Cc1ccccc1)C(=O)Nc1cccc(C#N)c1 36794902 QAXJNSJNCJBVAH-INIZCTEOSA-N 445.573 5.046 30 20 IKED Cc1ccc(C#N)cc1NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 63962322 LPAWUYNNBXCYNG-UHFFFAOYSA-N 434.293 5.134 30 20 IKED CCN(C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1cccc(F)c1 64290613 ROJGJEOSKISUMP-UHFFFAOYSA-N 439.327 5.375 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCOc2ccc(Cl)cc2)cc1 71944570 PFBSOAQSDCOLEX-UHFFFAOYSA-N 435.911 5.186 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1csc(Cc2ccc(F)cc2)n1 78720083 YJODEEOBVJMIAM-OAHLLOKOSA-N 425.554 5.448 30 20 IKED C=CCN(C(=O)[C@H](C)OC[C@H]1CCCO1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 109195816 KHUDRYUCBPQNLH-DZGCQCFKSA-N 441.380 5.220 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)nnc1-c1cccc(C)c1 195678427 QWXJCDNEMMWBIQ-KRWDZBQOSA-N 441.000 5.405 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cs1 303329260 WCINTMODDMSTQR-HNNXBMFYSA-N 425.604 5.793 30 20 IKED C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 303671718 JWGXOTIVGRZERC-SNVBAGLBSA-N 436.318 5.163 30 20 IKED COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 409524122 WQACWBYRVVCTOQ-VWNXMTODSA-N 442.515 5.205 30 20 IKED N#Cc1cc(S(=O)(=O)N(Cc2cccs2)Cc2cccs2)ccc1C(F)(F)F 409574237 HKLBABAMPKZRRH-UHFFFAOYSA-N 442.509 5.091 30 20 IKED CC(C)Oc1ccc(CC[C@H](C)NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1 428261606 VCIYCURPZRFSKT-FQEVSTJZSA-N 430.552 5.002 30 20 IKED N#CCCC[C@H](NC(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1ccccc1 431701513 FOENCZKRSVZPHG-IBGZPJMESA-N 445.548 5.251 30 20 IKED CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 432244223 AVKRMCWJEANCBK-HXUWFJFHSA-N 433.487 5.465 30 20 IKED CCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@@H](C)c1cccc(O)c1 437737811 QACGFCVDPGNMCK-GAJHUEQPSA-N 433.939 6.316 30 20 IKED CCOc1cccc2[nH]cc(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)c12 437839184 HJBJHYMJTFPFPT-UHFFFAOYSA-N 439.515 5.507 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]([C@H]4CCOC4)C3)cc2Cl)cc1 439307412 PTFVSELCDNPAAV-ROUUACIJSA-N 425.916 5.284 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)Nc3ccccc3-c3ccccc3)cc2)c1 439546632 WMWLSORKSTYDAV-UHFFFAOYSA-N 447.494 5.381 30 20 IKED N#Cc1cc(NC(=O)C(=O)Nc2cccc(CC(F)(F)F)c2)ccc1Oc1ccccc1 441062233 LUCKHGOYGDOHCL-UHFFFAOYSA-N 439.393 5.033 30 20 IKED C=CCC[C@@H](NC(=O)Nc1cc(NC(C)=O)ccc1OC)c1ccc(C(F)(F)F)cc1 442205786 DETIIJDLXQAMMH-GOSISDBHSA-N 435.446 5.501 30 20 IKED C=CC[C@H]1N(Cc2csc(N(C(C)=O)c3c(C)cc(C)cc3Cl)n2)CCCC1(C)C 444793449 RUUJWCRARNETMW-OAQYLSRUSA-N 446.060 6.665 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)NC1(c2cccc(C(F)(F)F)c2)CCOCC1 446266661 LYMOKKYICPRSKO-UHFFFAOYSA-N 446.513 6.385 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)c2ccc(Br)cn2)c1 460344105 WGVHDBBYDUZDQZ-UHFFFAOYSA-N 426.701 5.216 30 20 IKED C=CCN(C(=O)c1cc(Br)cc2ccccc12)c1nc(C(=O)OCC)cs1 463577573 RGNKHWPUGFAVDO-UHFFFAOYSA-N 445.338 5.068 30 20 IKED Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469219243 KDSMVYHOHXJZTC-QGZVFWFLSA-N 438.959 5.061 30 20 IKED N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)cc1 470837501 WAIHSAYMUWYHJN-INIZCTEOSA-N 437.286 5.373 30 20 IKED COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 472441043 UPYMBOGDPYJLCF-ILBGXUMGSA-N 442.515 5.091 30 20 IKED C[C@@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 475027037 FGLAOUDHQUSMSC-XMSQKQJNSA-N 429.495 5.343 30 20 IKED C=C(C)[C@@H](NC(=O)N[C@H](C)c1c(C)nn(CC(F)(F)F)c1C)c1ccc(F)c(F)c1 477217581 XRNOMKXFIDEXKL-ADLMAVQZSA-N 430.421 5.018 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)NCc1cc(-c2c(OC)ccc3ccccc23)no1 477501802 RSJNMDUOJLRVDV-UHFFFAOYSA-N 442.475 5.095 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccn(C2CCCC2)n1 477568463 DTTFUFMMUMFZSC-UHFFFAOYSA-N 429.977 5.300 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)Nc1ccc(F)cc1C(F)(F)F 477590713 SIXJRFIFMSEECM-QMMMGPOBSA-N 426.336 5.103 30 20 IKED Cc1nc(-c2ccccc2NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cs1 477679613 JOXVQDJQOMIAPB-UHFFFAOYSA-N 425.513 5.822 30 20 IKED Cc1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1NC(=O)N(C)C 478632079 MBDJTXPNWBKENM-UHFFFAOYSA-N 448.910 5.658 30 20 IKED CCc1onc(C)c1NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 481216256 UWQNQDIIABQJPP-UHFFFAOYSA-N 430.386 5.872 30 20 IKED Cc1cc(I)cc(C(=O)Nc2ccccc2SCCC#N)c1C 481815842 XKIDXHJLWLNMON-UHFFFAOYSA-N 436.318 5.166 30 20 IKED N#CCCn1cc(C(=O)CSc2ccc(Br)cc2[N+](=O)[O-])c2ccccc21 485273036 OOYWXQPEKSVLSU-UHFFFAOYSA-N 444.310 5.201 30 20 IKED C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 487842828 WPYRMQBPLLYRDG-GFCCVEGCSA-N 431.241 5.223 30 20 IKED C=CCOc1ccc(-c2nnc(S[C@@H](C)c3nc(-c4ccc(C)c(F)c4)no3)o2)cc1 489772894 DWXAQNXVSYPCSI-AWEZNQCLSA-N 438.484 5.652 30 20 IKED N#C[C@H](C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1nc2ccccc2s1 489850750 VCFIRJWSTNSBDF-GOSISDBHSA-N 429.457 5.274 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC(C)(C)c2ccccc2OC)cc1 491555944 FQSDUYNENXPPBP-UHFFFAOYSA-N 431.492 5.425 30 20 IKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H]1OCCc2sccc21 494942942 ZYTZZIOZBNDLEO-XDHUDOTRSA-N 447.560 5.217 30 20 IKED CC(C)NC(=O)c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 502213963 TZDMJJIAEVRFOM-JOCHJYFZSA-N 431.923 5.386 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 503040869 XHRTWYVZRVQMII-UHFFFAOYSA-N 447.498 5.064 30 20 IKED COCCn1c(C)c(C)c2cc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)ccc21 503555662 KCXMSVIBSCVQHQ-OAQYLSRUSA-N 429.545 5.518 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 503897462 MGVSOEDTZAJYPE-UHFFFAOYSA-N 449.963 5.485 30 20 IKED Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 505928932 WWZUTKDTIRNFDW-SFHVURJKSA-N 447.347 5.280 30 20 IKED Cc1c(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)sc2nc(C(F)(F)F)ccc12 505966425 QRUJSIVOWQRKSS-CYBMUJFWSA-N 443.372 5.637 30 20 IKED COCC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccco1 506957929 WRLBPSFFRWCFRM-FQEVSTJZSA-N 439.899 5.283 30 20 IKED C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(OC2CCCC2)CC1 508750135 YRQJDENXKGTXSD-UHFFFAOYSA-N 438.616 5.403 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 509674470 YQPVGCCKTPDLII-SANMLTNESA-N 447.494 5.460 30 20 IKED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 510545414 KUMDNOYRXNCJJR-AWEZNQCLSA-N 427.382 5.170 30 20 IKED COCCOc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 510729053 ANSYDGBYIDUWIJ-UHFFFAOYSA-N 431.492 5.006 30 20 IKED COc1ccc(S(=O)(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c2ccccc12 511114682 JFVHVLZVMWAAOZ-UHFFFAOYSA-N 445.500 5.017 30 20 IKED N#CCc1ccc(NC(=O)Cn2c(-c3cccc(Cl)c3Cl)nc3ccccc32)cc1 511648576 PHEOQTWPQRQYTB-UHFFFAOYSA-N 435.314 5.715 30 20 IKED N#CCc1cccc(C(=O)C(c2nc3ccccc3s2)c2nc3ccccc3s2)c1 513695590 IEVXQYCGIGZZNO-UHFFFAOYSA-N 425.538 5.987 30 20 IKED C=CCc1cc(CNC(=O)Nc2cc(Cl)c(OC)c(Cl)c2)cc(OC)c1OC 513967486 LEMOYMHZDCFGBQ-UHFFFAOYSA-N 425.312 5.069 30 20 IKED C[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)C(c1ccccc1)c1ccccc1 517919177 AWGRQMBOMQEYQT-OAQYLSRUSA-N 439.559 5.332 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccccc2C(F)(F)F)cc1 520179192 STGIJYSLMOKZLZ-UHFFFAOYSA-N 439.437 5.672 30 20 IKED COc1cc(CN(C)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)ccc1SC 521096372 GDTRDWVRRVGJDJ-UHFFFAOYSA-N 432.545 5.548 30 20 IKED COCCOc1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1F 522587187 CFVMSGUZTIVCQZ-UHFFFAOYSA-N 440.858 5.421 30 20 IKED Cc1csc(C2(NC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CCCC2)n1 522846175 PBOIYYGYIOUUDH-UHFFFAOYSA-N 446.576 5.802 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 524707162 AFEASPAATKNBHK-QHCPKHFHSA-N 440.934 6.050 30 20 IKED COc1ccc(Br)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 524767270 AVRRLILOHJHVCQ-HNNXBMFYSA-N 447.741 5.725 30 20 IKED C[C@H](CC(=O)Nc1ccc(OC(F)F)cc1OC(F)F)c1ccccc1C(F)(F)F 525043373 SOEWVZDVIXZDRH-SNVBAGLBSA-N 439.327 6.041 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)CSCc2ccc(C#N)cc2)nc1-c1ccccc1 525330845 MMLGITMNQXPLPO-JOCHJYFZSA-N 445.588 5.934 30 20 IKED Cn1cc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c(-c2ccc(Cl)s2)n1 530393960 RWPHCLDUUHGZAC-UHFFFAOYSA-N 425.926 5.049 30 20 IKED CC(=O)N(c1nc(CN(Cc2ccc(C#N)cc2)CC(C)C)cs1)c1cccc(C)c1C 533720601 PSBMHGFTCSBXBT-UHFFFAOYSA-N 446.620 5.974 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1cccc2c1CN(c1nccs1)C2 534733054 BGDVFEZNUWZKAV-OAHLLOKOSA-N 435.578 5.702 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](Cc1ccccc1)C(=O)OC(C)(C)C 534968711 VSPXZULYZRKENJ-FXAWDEMLSA-N 439.581 5.013 30 20 IKED Cc1nc(C(C)C)sc1[C@@H](C)N(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N 535967905 AXBHJWCROHXTIC-NVXWUHKLSA-N 430.643 5.601 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1 536885171 IGOQGYWMVYEQAH-UHFFFAOYSA-N 446.432 5.360 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)C2CC2)cc1 544246743 AQBRDLBNKPXMTJ-WJOKGBTCSA-N 429.545 5.063 30 20 IKED N#Cc1cc(NC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)ccc1Oc1ccccc1 548625579 JBFUNSKJPWDDGU-UHFFFAOYSA-N 449.392 5.202 30 20 IKED C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CC[C@@]2(C1)OCc1ccccc12 549303225 OIDUCCLQYXEJNR-QHCPKHFHSA-N 440.469 5.176 30 20 IKED C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 555249250 IMMYKCXOIKREEZ-HKBQPEDESA-N 430.577 5.048 30 20 IKED C=CCn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CC=C(c2c(F)cccc2F)CC1 569890524 NKWZDYRMJUZLBV-GBXCKJPGSA-N 448.517 5.281 30 20 IKED CCOc1cccc2[nH]cc(Cc3noc(-c4cc(C5CC5)nc(SC)c4C#N)n3)c12 579890837 OVOSHHROAACVMZ-UHFFFAOYSA-N 431.521 5.073 30 20 IKED CC(C)n1ncc2c(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)cc(C3CC3)nc21 582518870 CEVQRVIRUCBZNZ-UHFFFAOYSA-N 438.491 5.201 30 20 IKED CCN(Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1)C1CC1 587988726 LJKIHVCZCXZSQJ-QFIPXVFZSA-N 431.561 5.293 30 20 IKED Cc1cc(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)sc1-c1ccc(F)cc1 588032947 WXRJYVIWYBOVEQ-BETUJISGSA-N 439.396 6.066 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3cnc(-c4ccccc4)s3)s2)cc1 603728796 LGMFSISJRZKNAC-UHFFFAOYSA-N 435.559 5.078 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc4cc(Br)ccc4o3)cn2)cc1 603763468 ASFPORUHKQBDAX-UHFFFAOYSA-N 434.249 5.507 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 603815941 FEURZRNOVRVKPZ-FQEVSTJZSA-N 428.536 5.215 30 20 IKED Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccccn3)n2-c2ccc(C)cc2C)cc1 603918499 ZPWHWJJZUVFYGS-OAQYLSRUSA-N 425.561 5.482 30 20 IKED C=CCn1c(SCC(=O)Nc2sc(CC)cc2C#N)nnc1-c1ccc(Cl)cc1 604028847 VGOWMEQWFYZSFM-UHFFFAOYSA-N 443.985 5.011 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](c1ccc(C(C)(C)C)cc1)C(F)(F)F 604257562 VEUVXGGXPAEMCB-OAQYLSRUSA-N 434.506 5.064 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1nc2cc(F)ccc2s1 606753417 ISBNCPKVWWUELE-AWEZNQCLSA-N 430.386 5.130 30 20 IKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1cccc(C(F)(F)F)c1 608865866 YDUFIAKUELBMSN-GOSISDBHSA-N 437.849 5.073 30 20 IKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 608914803 AHRVANIOGCEXJA-UHFFFAOYSA-N 444.510 5.070 30 20 IKED Cc1cccc(N2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)c1 609078302 IJDCJADEIJTKOP-UHFFFAOYSA-N 440.547 5.108 30 20 IKED Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3SC[C@@H](C)C#N)C2)c1 609378004 ODDXULFURHXYQP-VQTJNVASSA-N 435.593 5.046 30 20 IKED Cc1ccc(-c2nc(CSCC(=O)Nc3ccccc3S[C@H](C)CC#N)co2)cc1 609388671 BFQXJAINACZQLQ-QGZVFWFLSA-N 437.590 5.916 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(NC(=O)CC4CCCC4)CC3)cc2)cc1 609434171 ZUIVQAMFCYYEOC-UHFFFAOYSA-N 446.551 5.043 30 20 IKED COc1ccccc1[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccccc1 609505246 OQDWWKPCAIBKGG-AREMUKBSSA-N 435.483 5.274 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)Nc2cccc(COCc3ccco3)c2)CC1 609553702 CXFWJTRDAYDPCL-UHFFFAOYSA-N 445.519 5.380 30 20 IKED CC(C)C[C@H](C)Oc1cc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)ccn1 609556011 RHQGFWDWAJGLLQ-ROUUACIJSA-N 426.586 5.611 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N(CCc3ccc(F)cc3)C3CC3)c2)cc1 609743993 XGAAVFZABKDZRX-UHFFFAOYSA-N 443.522 5.710 30 20 IKED COC[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C)c1cccc(C(F)(F)F)c1 609828713 QURUZHNYIANGLP-OAQYLSRUSA-N 433.474 5.132 30 20 IKED CO[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1Cl 610791643 QRPXYPRLTHNURT-QFIPXVFZSA-N 436.964 5.621 30 20 IKED C=C(C)CN(CC)C(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1[C@H](C)c1ccccc1 614097066 WMZJMDBJLHPSBH-UXHICEINSA-N 434.609 5.460 30 20 IKED C[C@H]1Cc2ccccc2N1C1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 618198585 FSDDBFLRCDQFAX-FQEVSTJZSA-N 426.564 5.001 30 20 IKED Cc1nc(COc2cccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c2)cs1 642282299 AURYPGABNDTDKF-QGZVFWFLSA-N 438.459 5.265 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1CCSc2ccc(F)cc21 642671659 DUZUFRSMCIHCGF-IUCKATPISA-N 444.416 5.571 30 20 IKED C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 685550353 CALDAHKUCKOTEW-HXUWFJFHSA-N 436.581 5.115 30 20 IKED CCc1cccc(CC)c1N=C1NC(=O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)S1 726716511 LDRZHHOHHGVIFR-KRWDZBQOSA-N 449.498 5.078 30 20 IKED CCN(C[C@H](C)C#N)Cn1nc(-c2ccc(Cl)cc2)n(-c2ccc(OC)cc2)c1=S 726963330 BROBECIWDZUKLE-MRXNPFEDSA-N 441.988 5.171 30 20 IKED C[C@@H](Sc1nnc(Cc2ccccc2F)o1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 727690516 GKKYBPALBFYUNJ-XWCAUFEOSA-N 437.540 5.161 30 20 IKED C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl 728411782 LELVFKZECSCKKY-YLJYHZDGSA-N 432.907 5.046 30 20 IKED C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 728412242 SJJZFZIGCVJTOX-FXAWDEMLSA-N 445.469 5.666 30 20 IKED COc1ccc(-c2nn(CN(C)[C@@H](C)CC#N)c(=S)n2-c2ccccc2C(C)C)cc1 728904274 NQAOWKUDYDEBFA-SFHVURJKSA-N 435.597 5.394 30 20 IKED Cc1cccc2[nH]cc(CC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)c12 729071169 YCHUBNCROJMHNB-INIZCTEOSA-N 440.355 6.326 30 20 IKED C#CCOc1cccc([C@@H](C)OC(=O)COc2ccc(C3SCCCS3)cc2)c1 730702132 XTEMUVDZHFRQEK-QGZVFWFLSA-N 428.575 5.251 30 20 IKED Oc1c(Br)cc(Br)cc1/C=N/C[C@@H](O)c1ccc2ccccc2c1 731488233 AAOBVVJSKKJZHP-WVCJYUAVSA-N 449.142 5.223 30 20 IKED O=S(=O)(c1ccccc1NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C(F)F 731966439 HYQHFNFCXPLASG-IUCAKERBSA-N 425.341 5.004 30 20 IKED Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(C)C 732706899 TYSQNHSMCZYHEY-JWQCQUIFSA-N 425.532 5.103 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccccc2SCc2ccco2)ccc1OC 733230523 QRABAIJKSCKIHW-SFHVURJKSA-N 436.533 5.191 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc3nc(C4CC4)sc3c2)ccc1OC 733627076 DLDZVYINYQKHGH-KRWDZBQOSA-N 436.537 5.185 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)ccc1OC 733643216 IKNNQQQFCFDTTH-NHCUHLMSSA-N 441.547 5.492 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC(CCc3ccc(C)cc3)CC2)ccc1OC 733653825 MLEUGKJZQGQQOL-DEOSSOPVSA-N 449.595 5.239 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N(C)Cc2cccc(Cl)c2Cl)ccc1OC 733656960 RCOLLXMDFQWFTJ-INIZCTEOSA-N 436.339 5.025 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(Cc2ccc(Cl)c(Cl)c2)C(C)C)c1 733851558 CKLQFTQKGXZTJI-SFHVURJKSA-N 434.367 5.795 30 20 IKED Cc1ccc(OCc2cccc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)c2)cn1 734080711 ZZRMHGYRKHMSNW-DEOSSOPVSA-N 435.483 5.083 30 20 IKED CSCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1 735970126 VMOWFFGDCLDHDZ-FQEVSTJZSA-N 441.622 5.017 30 20 IKED O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccncc1)c1c(Cl)nc2ccccn12 737448394 GHKRWKOBDYTSLH-MDZDMXLPSA-N 425.879 5.132 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)c3cccc(NC(=O)c4ccco4)c3)c2)s1 739595001 BYRZBALKTKPFFH-UHFFFAOYSA-N 427.485 5.062 30 20 IKED COc1ccccc1-c1ccc(/C=C\C(=O)c2ccc(S(=O)(=O)CC(F)F)cc2)cc1 741853236 ZAGLUVKCLLDRPC-NVNXTCNLSA-N 442.483 5.297 30 20 IKED COc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccc2c(c1)COC2 742436462 KJUHMEANRIFTSI-SNAWJCMRSA-N 438.115 5.147 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(-c2ccncc2)cc1 746424650 FHQIFZWVNPRTGG-HRFSGMKKSA-N 432.527 6.287 30 20 IKED N#Cc1ccc(C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)cc1 748232395 UIVZDCNCDXSTTL-RGEXLXHISA-N 434.451 5.226 30 20 IKED CCN(C[C@H](O)c1ccc(C)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 748939290 CEOPNMOWVNZCSA-QHCPKHFHSA-N 445.519 5.255 30 20 IKED CC(C)c1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)c1ccc(C(F)(F)F)nc1O 754686575 UCBLODRDOYLPLC-CSKARUKUSA-N 449.860 5.724 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C2CC2)[C@H](C)c2cccc(C(F)(F)F)c2)c1 754922243 XBPHYZYFAUGCJT-IERDGZPVSA-N 445.485 5.822 30 20 IKED Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(Br)n1 756499721 CXGCIVAFIZLPTR-GFCCVEGCSA-N 432.387 5.489 30 20 IKED C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1C#N)C(=O)Nc1cccc(Cl)c1Cl 758121058 RPAYTNGFQAKWEW-VIFPVBQESA-N 431.197 5.068 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(Br)c(Cl)c1Cl 758290937 RQVQIIMGISFEON-SECBINFHSA-N 429.101 5.691 30 20 IKED N#CCOc1cccc(CC(=O)NCc2ccccc2-c2ccc(Cl)cc2Cl)c1 760403824 SCWUVCGQFKYGAO-UHFFFAOYSA-N 425.315 5.422 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)Nc3ccc(F)cc3OCC#N)s2)cc1 761664093 FTMAGSIEHTZBKJ-CQSZACIVSA-N 440.500 5.051 30 20 IKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 762294620 HVFJLEPSFHHWQZ-HHHXNRCGSA-N 447.538 5.225 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)c3nc(-c4ccccc4)oc3-c3ccccc3)CCO2)c1 762312617 FSTUKQNZRCWJSA-QHCPKHFHSA-N 435.483 5.094 30 20 IKED CCCOc1ccc(-c2nc(C(=O)Nc3cc(C#N)cc([N+](=O)[O-])c3Cl)cs2)cc1 764301120 CPCJDEWZNGBZNR-UHFFFAOYSA-N 442.884 5.284 30 20 IKED O=C(C[C@H]1C=CCC1)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 764755236 QNPBBSZAFPYXSY-ZETCQYMHSA-N 440.224 5.328 30 20 IKED COc1ccc(Cn2nc(C)c(/C=C/C(=O)c3ccc(OC(F)F)c(OC)c3)c2C)cc1 767352562 WNICELACDPWQKZ-ZHACJKMWSA-N 442.462 5.063 30 20 IKED CCN(c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1)C(C)C 770099415 NBHDPXBLDPRZHB-IBGZPJMESA-N 431.508 5.197 30 20 IKED C[C@@H](CSCc1ccccc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 772970706 GXIHIQFMCBARKX-KBXCAEBGSA-N 434.533 5.218 30 20 IKED COCCOc1cccc(F)c1C(=O)/C=C\c1nc2ccc(Br)cc2s1 773137914 CAWDHXKUWIYUFN-FPLPWBNLSA-N 436.302 5.119 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-n4cnc5ccccc54)nc3)n2)cc1 775228076 SINGQKLWMWQPLL-IBGZPJMESA-N 435.512 5.343 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1 778323372 HEGJCCYAKLTBPH-QUCCMNQESA-N 449.551 5.116 30 20 IKED COC(=O)N(C)c1ccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 782564687 SWQXRHHPTUBTQO-KRWDZBQOSA-N 428.492 5.311 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)C(C)(C)Cc2ccc(C(F)(F)F)cc2)ccc1OC 786182939 HOLOOVHZUCAAHS-IBGZPJMESA-N 448.485 5.280 30 20 IKED C[C@H](NC(=O)[C@H](C#N)C(=O)CCc1cncc2ccccc12)c1ccc(Cl)cc1Cl 787052469 ZAOPSPABXYWPTG-VBKZILBWSA-N 440.330 5.060 30 20 IKED N#C[C@@H](C(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1cnc2ccccc2n1 792111591 VRPBGVZUIZMPKE-OSPHWJPCSA-N 431.854 5.419 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(Br)c2ccccc2c1 815907615 GAAGVEFILNJDKY-FQEVSTJZSA-N 449.348 5.688 30 20 IKED N#C[C@@H](C(=O)C1(Cc2ccc(F)cc2)CCOCC1)c1nc2cc(Cl)ccc2s1 815913193 KHLKUOYAASTPKL-KRWDZBQOSA-N 428.916 5.305 30 20 IKED C[C@@H](OC(=O)c1sc(-c2ccco2)nc1-c1ccccc1)C(=O)Nc1ccccc1C#N 900282274 OTAVOSCJQRUJQB-OAHLLOKOSA-N 443.484 5.126 30 20 IKED Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915352364 KKRIVYKRWZTVEL-SANMLTNESA-N 449.558 5.525 30 20 IKED COc1ccc2cc(CN(C)C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)ccc2c1 915352396 HLRPHSHQYVNBBK-MHZLTWQESA-N 435.527 6.168 30 20 IKED O=C(O)Cc1ccc(C(=O)/C=C/c2csc(-c3cccc(Br)c3)n2)cc1 915987473 DZILCEJPFNXNAO-CMDGGOBGSA-N 428.307 5.096 30 20 IKED CCCOc1ccc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1OCC 916283695 NPFVQOBLDXPWBO-UHFFFAOYSA-N 447.560 5.503 30 20 IKED CCc1ccc(-c2nn(-c3ccccc3C)cc2C=Nn2cnc3ccccc3c2=O)cc1 916369426 FICSUGZGEPHHRH-UHFFFAOYSA-N 433.515 5.002 30 20 IKED COc1ccc(CN(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1F 916686330 FCZZXIWSSMDICP-UHFFFAOYSA-N 433.483 5.143 30 20 IKED N#C[C@@H](C(=O)CSc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc2ccccc12 916917125 DZPSXHXFWPQBPE-SFHVURJKSA-N 428.435 5.298 30 20 IKED COc1ccc2cc(/C=C/C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2c1 916945478 WCKNSKMMZBJEFA-IVYDRHTBSA-N 439.298 5.516 30 20 IKED N#C[C@@H](C(=O)CCc1ccccc1Br)C(=O)Nc1cc(Cl)cc(Cl)c1 916946066 JKSHBWFQAHEITO-HNNXBMFYSA-N 440.124 5.036 30 20 IKED N#C[C@@H](C(=O)COc1ccc(F)cc1Br)c1nc2cc(Cl)ccc2s1 917045385 YWOYHORGGHFLSC-NSHDSACASA-N 439.693 5.107 30 20 IKED COCCOc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1 917560612 SWHQSOZOLATYGJ-MDWZMJQESA-N 436.533 5.057 30 20 IKED COc1ccccc1-c1cc(C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)no1 918156268 PYOFTSSYNLYNFX-UHFFFAOYSA-N 441.462 5.516 30 20 IKED COc1ccc([C@@H](Cc2ccccc2C)NC(=S)Nc2ccccc2C#N)cc1OC 921270451 FVZLDUVAXFQKBZ-JOCHJYFZSA-N 431.561 5.154 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)CCc4cnc5ccccc5c4)cc3)CCC2)C1 1786035458 GLRMWHGIIUVFNM-UHFFFAOYSA-N 439.559 5.268 30 20 IKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)o1 1786491825 CWJMSVYWLNEDKZ-UHFFFAOYSA-N 433.895 5.175 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(F)cn34)CCC2)cc1 1789625460 FLAASVGXGYNWLK-UHFFFAOYSA-N 448.542 5.214 30 20 IKED CCOc1ccsc1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CCC1 1790286978 TVRHBJKPXQXQIM-UHFFFAOYSA-N 445.544 5.080 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCCn3ccnc3C)cc2)CCC1 1791828229 YKOOJOVIJCYIJF-UHFFFAOYSA-N 436.600 5.098 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCc3cccc(Cl)c31)C2 1792572551 AULGOSSPEFYCMU-YRPNKDGESA-N 429.004 5.000 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2C2CC2)[C@H]1c1cccnc1 1813752240 HBVNCQOZBKPDBF-WIOPSUGQSA-N 445.607 5.271 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(Cl)s2)[nH]n1 1814827674 USLMBQPWNZBFCV-GOSISDBHSA-N 447.004 5.128 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CSc2c(C)cccc2C)n[nH]1 1819590265 OLNCZTLBXBDTEZ-UYAOXDASSA-N 440.613 5.023 30 20 IKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)[nH]n1 1821923973 UINRXCKTWPXFES-FZKQIMNGSA-N 435.355 5.235 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](C)c2cccs2)n[nH]1 1822705237 GQLINYDOAWDDHB-SJLPKXTDSA-N 428.602 5.259 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccccc2F)n[nH]1 1822965188 ATOFOLWOSCIKQR-OAQYLSRUSA-N 440.563 5.166 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C)c(F)c2F)n[nH]1 1823194885 WBFNMAUZSWIADF-LPHOPBHVSA-N 442.510 5.071 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)C1 1823699827 DZAKIWQBSHBHFW-QHCPKHFHSA-N 449.620 5.010 30 20 IKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)s1 1825790697 MRPYTCJRLSYTJR-WZONZLPQSA-N 449.620 5.231 30 20 IKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1 1828457348 ANAZJJHQGPWOAL-XGAJZPNHSA-N 446.701 5.132 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc3ccc(C)cc3s2)CC1 1831371998 RIRXGBPHSPRGGQ-GHTZIAJQSA-N 439.625 5.050 30 20 IKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1831852952 GARHWSJELWVZKE-OAQYLSRUSA-N 449.422 5.339 30 20 IKED CCCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(F)cc2)cc1 10829329 REQCZCUPZZWRPR-UHFFFAOYSA-O 429.487 5.395 30 20 IKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2cccc(C)c2)c(Cl)c1 15248207 FLTVHNAVJGRWOG-UHFFFAOYSA-O 444.407 6.257 30 20 IKED Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccccc3SCC#N)c2n1 22139752 VPNUKWNBXJQZSX-UHFFFAOYSA-N 432.332 5.483 30 20 IKED N#CCCN(C(=O)CSc1nn(-c2ccccc2)c(=S)s1)c1cccc(Cl)c1 22354127 DIAQMYDRPNOJOI-UHFFFAOYSA-N 447.010 5.356 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(F)cc2F)nnc1-c1ccc(Cl)cc1 29829605 NSGKGISBGBOQFB-ZDUSSCGKSA-N 448.926 5.032 30 20 IKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(CC)cc3)n2)nc2ccccc21 39576193 PJLMRCDEXRGHNZ-UHFFFAOYSA-N 448.617 6.218 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 303286367 LKTKNCKVWHXWAX-KRWDZBQOSA-N 445.523 5.306 30 20 IKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)cc1 303410428 URKZYODJFBESRV-UHFFFAOYSA-N 442.487 5.976 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3cccc(OCc4ccccn4)c3)c2)cc1 303661979 WQHYVBHCLMETRO-UHFFFAOYSA-N 435.483 5.364 30 20 IKED N#Cc1cccc(COc2cccc(CN[C@@H](CC(=O)O)C34CC5CC(CC(C5)C3)C4)c2)c1 426751983 AAJUPXLDDLDROQ-ZTAUTUAFSA-N 444.575 5.287 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 431761535 USDKCZDJLYHUCV-GFCCVEGCSA-N 437.352 5.564 30 20 IKED N#CCCN(C(=O)c1cc(C2CC2)nc2ccc(Cl)cc12)c1ccc2c(c1)OCCO2 433938828 FDOMUOUMYPRFHK-UHFFFAOYSA-N 433.895 5.097 30 20 IKED CCOc1ccc(-c2nc(CC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cs2)cc1 436352129 LSAMFGJMYSQHMJ-XZOQPEGZSA-N 431.561 5.050 30 20 IKED CCO[C@@H](C)c1nc(CN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cs1 437842645 REBRFKOPQZRJRY-INIZCTEOSA-N 436.537 5.568 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C1CC1)[C@H](C)c1ccc2ccccc2c1 438052299 WYNMBVCXROWEPZ-RTBURBONSA-N 429.589 6.992 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C1CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 438080478 XKZXLUZOONILRD-HOTGVXAUSA-N 447.526 6.715 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(CCc1ccccc1)C1CCCC1 439338548 CMDTVZLALQLAAP-IBGZPJMESA-N 435.593 5.033 30 20 IKED CSc1ccc(Cl)cc1NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 439395287 KVFKXCIIKONELO-UHFFFAOYSA-N 437.908 5.303 30 20 IKED CC(C)N(C[C@@H](O)COc1cccc2ccccc12)C(=O)N[C@@H](CCC#N)c1ccccc1 440250754 BSAQJCZKGMPZAL-NOZRDPDXSA-N 445.563 5.045 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)o1 440747159 LGEGWXLHKPKPAP-HXUWFJFHSA-N 446.894 5.237 30 20 IKED CSc1cccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C 441324466 NMIGHAZIUJMQCZ-IBGZPJMESA-N 449.963 5.603 30 20 IKED Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1cn(CCCC#N)c2ccccc12 444151779 ZUHVQTFYKZNRRK-UHFFFAOYSA-N 433.512 5.221 30 20 IKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2nc(C3CCC3)cs2)c1 444521999 CYTKYWOMPZRILX-UHFFFAOYSA-N 448.573 5.265 30 20 IKED C=CCn1c(SCc2csc(COC)n2)nc2scc(-c3cccs3)c2c1=O 463031996 DXULSYAZVJUJFS-UHFFFAOYSA-N 447.632 5.268 30 20 IKED O=C(Nc1cccc(CC(F)(F)F)c1)c1cnn(-c2ccccc2F)c1C(F)(F)F 464431529 ULAGDDRKPZCEAW-UHFFFAOYSA-N 431.311 5.387 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(COc2ccccc2F)on1 464557067 VIUXUKFNTVAJKJ-UHFFFAOYSA-N 444.422 5.012 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 465412783 CNWXYJVJSYNHDO-OPAMFIHVSA-N 439.556 5.064 30 20 IKED FC(F)(F)c1cc([C@@H]2CN(c3ccc(C(F)(F)F)nn3)CCO2)cc(C(F)(F)F)c1 469562289 OQAVPPZMZHEKEZ-LBPRGKRZSA-N 445.285 5.111 30 20 IKED O=C(c1ccc(F)c(F)c1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469768412 KLQAZDDDDPSUPT-INIZCTEOSA-N 439.302 5.216 30 20 IKED C[C@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@H](c2ccsc2)O1 470793912 ODLFVBPBEKNOSJ-MHECFPHRSA-N 447.560 5.387 30 20 IKED C[C@@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)[C@H](C)c1ccccc1 473547052 XSBOBVWTKFUNHU-RBUKOAKNSA-N 443.572 5.211 30 20 IKED C=C(C)Cn1c(S[C@H](C)C(=O)N[C@@H](CCC)c2ccccc2)nnc1-c1ccncc1 481357434 HEOUJSQCRQHQJO-NQIIRXRSSA-N 435.597 5.054 30 20 IKED C=CCn1c(S[C@H](C)c2nc(Cc3ccc(F)cc3)no2)nnc1-c1cccs1 481397872 FPMMEJPBVBIPDW-CYBMUJFWSA-N 427.530 5.159 30 20 IKED O=C(N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)N(Cc1ccccc1)CC(F)F 482402851 JWBLZHMVZIBZBW-INIZCTEOSA-N 438.343 5.368 30 20 IKED COc1cc(OC2CC2)ccc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 482591055 YQDVPYCVUQZCPB-HNNXBMFYSA-N 426.444 5.128 30 20 IKED C=C(C)[C@@H](NC(=O)N(Cc1cccc(OC)c1)C1CCC(O)CC1)c1ccc(F)c(F)c1 483294728 WUZHDFYOKMGUFR-ZSHKSDETSA-N 444.522 5.106 30 20 IKED COc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1Br 486147064 LXFVMTLTCXLYQK-UHFFFAOYSA-N 439.334 5.733 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCO[C@]3(CCSC3)C2)cc1Cl 494199403 VQIJPAQDOMETBX-JXHRLWIKSA-N 441.984 5.172 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)c(C)c1 500015247 FJWJIQRRNAQLCZ-ZDUSSCGKSA-N 446.370 5.097 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1 502405319 OXJCAQIFCTXIAP-UHFFFAOYSA-N 429.480 5.657 30 20 IKED COc1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c(C(F)(F)F)c1 503127181 SVXUGRSITQQCKS-UHFFFAOYSA-N 426.394 5.417 30 20 IKED C=CCN(C(=O)c1csc(-c2ccc(OCCC)cc2)n1)c1nc2c(s1)CCCC2 504410770 IMQNMEANAOWXQF-UHFFFAOYSA-N 439.606 5.767 30 20 IKED C=CCn1c(SCc2nc(-c3ccncc3)no2)nnc1-c1ccc(Cl)cc1Cl 505037864 GIOLXPCSQUHYIL-UHFFFAOYSA-N 445.335 5.175 30 20 IKED Cc1nc(CSc2ccccc2C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)cs1 505827559 RFGGYKSPVLUVFK-NRFANRHFSA-N 435.618 6.036 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)c1 508444474 WGYTWMBISICUTE-UHFFFAOYSA-N 439.515 5.062 30 20 IKED C=CCc1ccc(OCC(=O)N2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)c(OC)c1 509886614 VDGBVNLIAFDWPK-OAQYLSRUSA-N 447.579 5.139 30 20 IKED CC(C)c1nc(-c2ccccc2NC(=O)c2ccc(OCc3ccccc3C#N)cc2)n[nH]1 511197638 HOVAUYOAIMSULZ-UHFFFAOYSA-N 437.503 5.298 30 20 IKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)c12 513676872 LYOOYUMSMRRXIW-MRXNPFEDSA-N 431.565 5.718 30 20 IKED CN(Cc1ccc(Br)s1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 514828554 OJCXGHBKQAGDJW-UHFFFAOYSA-N 442.338 5.838 30 20 IKED CC1CCC(OC2CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)CC2)CC1 517647792 QIUNEFKORKXXGK-UHFFFAOYSA-N 432.564 5.745 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)COc2ccccc2-c2ccccc2)CC1 518923304 RAVBFLBBJIPHAT-UHFFFAOYSA-N 426.516 5.110 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NC3CCN(CCc4ccccc4)CC3)cc2)cc1 519053897 YCWXSZREPSVHNC-UHFFFAOYSA-N 440.547 5.179 30 20 IKED COc1cc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)ccc1OCCC(C)C 520476419 WVOHHGIEOOKYLF-FQEVSTJZSA-N 437.584 5.673 30 20 IKED C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1nc(C(F)(F)F)cs1 520615917 DYYAPPFCLUGUIQ-UHFFFAOYSA-N 446.502 5.038 30 20 IKED Cc1ccccc1CN1CCC(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 521811852 WXFUJRRIPKXUHU-UHFFFAOYSA-N 440.547 5.445 30 20 IKED N#Cc1c(NC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)sc2c1CCC2 522683985 IRFRMSYEQIHERG-UHFFFAOYSA-N 439.587 5.153 30 20 IKED Cc1nc(COc2ccc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)cc2)no1 524708174 CCGCBQAQFPCZCU-UHFFFAOYSA-N 444.422 5.012 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(OC3CCOCC3)cc2)cc1Cl 525675283 VIAFUAFRFXALHC-DEOSSOPVSA-N 446.934 5.806 30 20 IKED C[C@@H](Sc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)cc1Br 531761403 QYNUXGLTEFRDLT-SNVBAGLBSA-N 440.160 5.203 30 20 IKED N#C[C@H](C(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1nc2cc(Cl)ccc2s1 536204918 SSCUABIDQRWWDJ-GOSISDBHSA-N 431.904 5.692 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc4ccccc4[nH]3)c3cnn(C(C)C)c3n2)s1 537442842 HAOMTXGULMPBHT-INIZCTEOSA-N 440.532 5.416 30 20 IKED Fc1ccc(-c2noc(CN[C@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)n2)cc1F 538321131 UBKHAXSQDSJVRF-OAHLLOKOSA-N 437.290 5.427 30 20 IKED N#Cc1ccccc1-c1ccc(CNC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1 540309201 DFPHTDHOALKEDF-UHFFFAOYSA-N 433.515 5.100 30 20 IKED Fc1ccc([C@@H](CC(F)(F)F)NCc2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1 540376135 PACKOLGBPGWBSN-QGZVFWFLSA-N 432.339 6.283 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cc(Cl)ccc1NCC1CCCCC1 543919333 CLZFIDBPZKEZNG-UHFFFAOYSA-N 442.007 5.631 30 20 IKED COCCOc1ccc(Cl)cc1-c1noc(/C=C/c2cn(CCC#N)c3ccccc23)n1 547174629 WWOXVJKOIITAAT-JXMROGBWSA-N 448.910 5.454 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1sccc1C#N)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 550807015 YTXDTPMVOBFPON-LLVKDONJSA-N 449.479 5.183 30 20 IKED Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 551448336 OEVMMDGNZHNCIL-GOSISDBHSA-N 446.576 5.175 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 557514179 JZMLSWCSFJMGNT-KRWDZBQOSA-N 447.516 5.531 30 20 IKED C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)c1cn(CCCC#N)c2ccccc12 561736944 MJAVRBBHIAEWNF-QGZVFWFLSA-N 427.470 5.667 30 20 IKED Cc1ccc(-c2cc(C(=O)N(CCC#N)c3ccc(F)cc3)c3cnn(C(C)C)c3n2)cc1 561797478 WKCHOAATDYIACW-UHFFFAOYSA-N 441.510 5.687 30 20 IKED CC1(C)CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)[C@@H]1c1cccs1 567939602 KHEFVWFCRNETPM-HSZRJFAPSA-N 431.561 6.008 30 20 IKED CCO[C@H](c1noc([C@@H]2CCC[C@@H](C(F)(F)F)C2)n1)c1ccc(F)cc1C(F)(F)F 572562218 ARJCHTUEVJBCKO-HFAKWTLXSA-N 440.359 6.190 30 20 IKED C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(NC(=O)C2CCCCC2)CC1 578770598 KTNKHDVDDKZMKO-DEOSSOPVSA-N 449.643 5.061 30 20 IKED Cc1c(C[S@](C)=O)cccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 579637253 SSWDOVJQLMOWJB-PMERELPUSA-N 438.936 5.443 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)CCCn3ccc4cc(Cl)ccc43)CC2)c(F)c1 580968548 BCCWVZPNTVHDGA-UHFFFAOYSA-N 439.918 5.156 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3cccc(-n4nccc4C(F)(F)F)c3)cc2)ccn1 581856268 MAMXZUWCNZDBEP-UHFFFAOYSA-N 449.392 5.202 30 20 IKED Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)Nc3ccccc3SCC#N)n12 594669390 IZMJXKJZCFKBLH-UHFFFAOYSA-N 447.589 5.154 30 20 IKED C=CCN(C(=O)CSc1ccccc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603459247 GAQGUFJLPPKZBX-UHFFFAOYSA-N 425.535 5.338 30 20 IKED N#Cc1c(NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)sc2c1CCC2 603564561 ONHXAAZVWRFMOO-UHFFFAOYSA-N 426.872 6.248 30 20 IKED C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 603992042 WQQWVMJZJWITAM-CYBMUJFWSA-N 435.530 5.413 30 20 IKED N#Cc1cccnc1Oc1ccccc1NCC(=O)Nc1ccc(Oc2ccccc2)cc1 604007536 AIFWXTHSPGWLRM-UHFFFAOYSA-N 436.471 5.588 30 20 IKED N#C[C@H](C(=O)c1cccc(Nc2ccccc2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 607274898 VYHKBIYQQWOSJV-LJQANCHMSA-N 440.528 5.509 30 20 IKED CC(C)(C)n1cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)c(-c2ccc(F)cc2F)n1 608552737 CDAIOEPNXRJJQZ-SFHVURJKSA-N 430.458 5.622 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(-c3n[nH]c4c3CCCC4)c2)c1 608812364 PAJZSHREORRGNN-UHFFFAOYSA-N 438.487 5.251 30 20 IKED CCN(C(=O)c1ccc(NC(=O)CSc2cccs2)cc1)[C@H](C)c1ccc(C#N)cc1 609754381 QVZVSNORUVBLGW-QGZVFWFLSA-N 449.601 5.574 30 20 IKED CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccccc1Sc1ccccc1C#N 609865704 AXNCBKLZNTZBKQ-QMHKHESXSA-N 436.964 5.869 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N[C@H](c3ccc(F)cc3)C3CCC3)c2)cc1 609945333 GEYSXHIQHVYHPH-DEOSSOPVSA-N 443.478 5.086 30 20 IKED COc1ccc([C@H](NC(=O)CSCc2ccc(C#N)cc2)c2ccccc2Cl)cc1 610056008 UYCSRLMTLXHNRY-DEOSSOPVSA-N 436.964 5.359 30 20 IKED CN1CCC[C@@H](CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@H]1c1cccs1 610180720 OVCPSOCYJGXUBW-DHLKQENFSA-N 445.588 5.012 30 20 IKED CCOC(=O)CC[C@H]1CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 611046472 ZHVZKQXLAVWHJF-HXUWFJFHSA-N 436.577 5.046 30 20 IKED N#Cc1ccc(CSc2nnc(-c3ccco3)n2Cc2ccco2)c(Br)c1 611492012 BLMVJNHVPFBWJR-UHFFFAOYSA-N 441.310 5.106 30 20 IKED COC(=O)c1ccc(C(=O)N(C)[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1F 611973654 WSCGFLQLQCZQKB-HNNXBMFYSA-N 437.311 5.007 30 20 IKED N#C[C@H](C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1ccc2ccccc2n1 613292817 YECBITKOSHGTKW-SFHVURJKSA-N 439.475 5.173 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(O[C@@H](C)c4ccccc4)nc3)n2)cc1 613319164 SRSINKWUPAFXFT-PGRDOPGGSA-N 439.540 6.144 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3C[C@@H]3c3ccccc3OC(F)F)cn2)c1 619555393 HLRMKCQPWPVNQD-MOPGFXCFSA-N 436.418 5.025 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)[C@@H](Sc2ccccc2Cl)c2ccccc2)CC1 619713528 UBBLFFSOHNSEBU-QHCPKHFHSA-N 447.991 5.652 30 20 IKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C 642281186 LTFSVGXYMWIUOZ-OAHLLOKOSA-N 440.450 5.514 30 20 IKED C=CCN(Cc1cccs1)C(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C 648102919 LQDHEDCPGBLMPE-UHFFFAOYSA-N 434.565 5.779 30 20 IKED COc1ccc(N2CCC(NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)cc1 726695866 ISBZNHTZBZHZIN-AREMUKBSSA-N 440.547 5.141 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C 726700596 RPFFNBKUWKDLCT-UHFFFAOYSA-N 432.524 5.076 30 20 IKED C[C@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1cccc(C#N)c1 727637261 VGYCSGPQRFTNJL-KBXCAEBGSA-N 431.319 5.022 30 20 IKED N#C[C@H](C(=O)Cc1c[nH]c2cc(Cl)ccc12)C(=O)Nc1ccc(SC(F)F)cc1 727953283 CVOOVCOYEOBOJQ-MRXNPFEDSA-N 433.867 5.026 30 20 IKED CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728029361 OYPFCKJVZHWGKN-UHFFFAOYSA-N 443.931 5.034 30 20 IKED CC(C)CCN(CCC#N)Cn1nc(CSc2nc3ccccc3s2)n(C)c1=S 728901395 IGTGEMSDIZRPDE-UHFFFAOYSA-N 446.671 5.072 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC=C(c2c[nH]c3ccccc23)CC1 731031629 XKVXGCOTOLJZMN-GOSISDBHSA-N 430.577 5.290 30 20 IKED C[C@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1nc2ccccc2n1C(F)F 731961794 WJXLZSAHWKHHSA-AWEZNQCLSA-N 434.402 5.408 30 20 IKED NC(=NOCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1nccc2ccccc12 733192490 XFPXOUNEJOGLBG-UHFFFAOYSA-N 428.439 5.214 30 20 IKED C#CCN(C(=O)Nc1ccc2ncsc2c1)[C@@H]1CCOc2ccc(Br)cc21 733620874 LISDDXNNZRRYRP-QGZVFWFLSA-N 442.338 5.050 30 20 IKED CCC[C@@H](NC(=O)NCc1cccc(O[C@H](C#N)CC)c1)c1cccc(C(F)(F)F)c1 733804468 DYFDSAXIUCNCEG-PZJWPPBQSA-N 433.474 5.727 30 20 IKED Cc1ccc(S(=O)(=O)O[C@@H](Cc2ccc(Cl)cc2)C(F)(F)F)c2cccnc12 734153398 DIZANEFBDUWEJK-KRWDZBQOSA-N 429.847 5.076 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2cc(-c3ccccc3)on2)cc1Cl 735807502 GBSHQZUAYZIKNH-QFIPXVFZSA-N 427.891 5.832 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 742563122 DPCGXZRMLAASLN-OAQYLSRUSA-N 449.551 5.060 30 20 IKED C[C@@H](OC(=O)C(C)(c1ccccc1)c1ccccc1)C(=O)N(CCC#N)c1ccc(F)cc1 744966347 FAZFXORWSXVRPQ-HXUWFJFHSA-N 444.506 5.010 30 20 IKED O=C(/C=C\c1ccc(-c2cccc(Br)c2)o1)c1cccc(N2CCOC2=O)c1 745625656 CQDBWAHPWNJMSP-CLFYSBASSA-N 438.277 5.562 30 20 IKED N#C[C@H](C(=O)CN(Cc1ccc(F)cc1F)C1CCCC1)c1nc2ccccc2s1 746153647 TWMCAJVCRSQGEK-GOSISDBHSA-N 425.504 5.196 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc(Cl)c1O 749006496 XDFGZLXEANXSNO-KPKJPENVSA-N 434.941 5.057 30 20 IKED Cc1ccc(-c2nc(C=Nn3c(C)nc4scc(-c5ccccc5)c4c3=O)co2)cc1 755518770 NZMCUIYNKNHXRE-UHFFFAOYSA-N 426.501 5.279 30 20 IKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cncc(-c2ccc(Cl)cc2)c1 757875530 PXKLBEXCKIRJRZ-JOCHJYFZSA-N 425.875 5.516 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(O)(c4ccccc4Cl)CC3)cc2)cc1 765259782 XTCVEHJFYJNQCP-UHFFFAOYSA-N 447.922 5.519 30 20 IKED C=CCn1c(SCC(=O)N(Cc2ccco2)C2=CCCCC2)nnc1-c1cccs1 765337336 WGSVDBGBBZAQNN-UHFFFAOYSA-N 440.594 5.364 30 20 IKED C=CCn1c(SCc2cc(=O)oc3cc(CC)c(Cl)cc23)nnc1-c1ccco1 774455585 BLJDXYZVGDWXEC-UHFFFAOYSA-N 427.913 5.339 30 20 IKED O=C(NOCCC(F)(F)F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 779326515 OZERWZSDJGCFOI-YQHILTGPSA-N 441.334 5.109 30 20 IKED Cc1csc(SCc2c(C(=O)Nc3ccccc3O[C@@H](C)C#N)oc3ccccc23)n1 780166517 XZZJDUAKVHMQOX-HNNXBMFYSA-N 449.557 6.033 30 20 IKED CC[C@@H](C#N)Oc1cc(CNCc2ccc(-c3cccc(C(F)(F)F)c3)o2)ccc1OC 781629825 LLLQAMAXNOCWRC-IBGZPJMESA-N 444.453 5.945 30 20 IKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc(C(F)(F)F)c1F 785880053 GJAVUFWAALMHPK-NSHDSACASA-N 433.188 5.421 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)/C=C\c1nc2ccccc2s1)c1ccc(Cl)cc1Cl 787052593 ZSDXEPGRTWYISO-TXXPJUPQSA-N 444.343 5.203 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1ccc(Cl)nc1Cl 788097152 RWQVVSLXLSUBHW-UHFFFAOYSA-N 425.316 5.176 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc(F)c(Br)c(Cl)c1 796751688 CNNDICFCHBVCLH-LBPRGKRZSA-N 433.664 5.237 30 20 IKED CC(C)(CCC#N)COC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 798877459 IPACDROBCQQHLB-UFTDPOHCSA-N 439.440 5.982 30 20 IKED CC(C)CC(=O)Nc1ccc(C2=NNC(=Nc3ccccc3C(F)(F)F)SC2)cc1 806674069 VBQOKJHOZZJIMC-UHFFFAOYSA-N 434.487 5.418 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)o1 814192063 XGVZUPNUZBVHTF-UHFFFAOYSA-N 442.515 5.133 30 20 IKED Cn1nc(C(F)(F)F)c(C=NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1Cl 814948894 KHWGDUIFFWMXCB-UHFFFAOYSA-N 438.681 5.576 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 915199491 CXVXVWPDSWOCRF-QHCPKHFHSA-N 426.476 5.103 30 20 IKED CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=S)Nc2ccccc2C#N)c1 915997872 QMGGEISFADKRFA-SFHVURJKSA-N 428.561 5.477 30 20 IKED O=C(/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(N2CCOCC2)cc1 916138500 SJYVYJMKNRITLX-TWGQIWQCSA-N 438.867 5.241 30 20 IKED C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1 916212423 VOOLZCWGZIMLDX-INIZCTEOSA-N 434.348 5.140 30 20 IKED N#C[C@H](C(=O)CCCCc1nc2ccccc2s1)C(=O)Nc1ccc(Cl)cc1Cl 916927155 DLMROZPFPAOAFH-CQSZACIVSA-N 446.359 5.663 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C3SCCCS3)cc2)cc1 916955631 SJBPIUAWFSWZLP-KKSFZXQISA-N 438.618 6.030 30 20 IKED Cc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1 916997276 UTARHKUTAOKKGZ-CQSZACIVSA-N 449.384 6.326 30 20 IKED Clc1ccccc1CNN=Cc1cc(Br)ccc1OCc1ccccn1 918153361 URQRHKCQJPWNOK-UHFFFAOYSA-N 430.733 5.200 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@H]4C4CC4)cc3)CCC2)c(Cl)c1 1786053831 BNDBEHFDMXALPY-SFTDATJTSA-N 433.939 5.005 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccnc(C)c3)CCC2)cc1 1786102452 OAHWBMFSNVOLEM-UHFFFAOYSA-N 431.580 5.225 30 20 IKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(C)oc4cc(O)ccc34)cc2)CCC1 1789024538 YRHZTKHAUNLTOE-MRXNPFEDSA-N 432.520 5.407 30 20 IKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccccc3Oc3ccccc3)cc2)CCC1 1790229332 XPNUMAOHALMSMF-UHFFFAOYSA-N 439.515 5.530 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OCC4CC4)cc3F)CCC2)cc1 1791584582 RYZXQVHSNQLMDL-UHFFFAOYSA-N 448.538 5.166 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCCSC4)cc3)CCC2)c1 1792287251 OYXBQWCFSHGWOT-GHTZIAJQSA-N 447.604 5.205 30 20 IKED CCC[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C#N)cc2Cl)CC1 1800691041 JALCYEUVCIFOLW-OSYHSXPHSA-N 442.003 5.070 30 20 IKED CC(C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@H](C)C#N)c1)c1ccccc1 1803676988 WACXYCBZZUSEPY-FRTMRTDSSA-N 443.591 5.005 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1814445396 KQRLLDFXFCUOHS-PGRDOPGGSA-N 447.583 5.335 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(Cl)cccc2Cl)n[nH]1 1820435430 XAJXIMMIXUHVFA-DYVFJYSZSA-N 435.355 5.235 30 20 IKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccsc3[nH]2)n[nH]1 1821433234 IMQPEZYCRJVCRK-SFHVURJKSA-N 439.585 5.251 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccc(F)cc2)C(C)C)n[nH]1 1822288289 HNLJAHNNBCKJHE-LXBDKUERSA-N 440.563 5.193 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)c2cccs2)CC1 1828829710 MJWZTXAYILGAMR-FCEUIQTBSA-N 428.642 5.240 30 20 IKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)OCCOc1ccc(C#N)cc1 9837102 NOJNUSCKXIRBKO-UHFFFAOYSA-N 442.471 5.131 30 20 IKED C=CCn1c(SCc2ccc(Br)cc2)nnc1[C@@H]1COc2ccccc2O1 21088350 JSVAHUCLBDHRIM-SFHVURJKSA-N 444.354 5.031 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2nnc(NCC(C)C)s2)n(C2CCCCC2)c1C 25806681 JAYNPYAJJKYWTG-UHFFFAOYSA-N 446.646 5.132 30 20 IKED C=CCn1c(SCC(=O)Nc2ccc(-c3ccccc3)cc2)nc2sccc2c1=O 36800054 CVWJRYDHSPQKIK-UHFFFAOYSA-N 433.558 5.042 30 20 IKED N#CC1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc(Cl)cc2)CC3)CC1 61584844 PIALXXOSLMHNGE-CYVLTUHYSA-N 427.935 5.751 30 20 IKED C=CCn1c(-c2sc(NC(=O)CCCCOc3cccc(C)c3)nc2C)n[nH]c1=S 108959015 LYWXYMAOXIZORA-UHFFFAOYSA-N 443.598 5.055 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)ccc1OCCC(C)C 195557454 CIWDNVUZVYJKQO-MRXNPFEDSA-N 427.451 5.355 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc2c(cc1Cl)OCCCO2 303753027 CHJBQCSEGCEHPJ-UHFFFAOYSA-N 427.806 5.337 30 20 IKED Cc1ccc(-c2nnc(Sc3ccc(C(F)(F)F)c(C#N)n3)n2Cc2ccco2)cc1 409710653 HXNVNMFEHCAVTJ-UHFFFAOYSA-N 441.438 5.332 30 20 IKED COc1cccc2c1CCN(C(=O)c1ccccc1SCc1ccc(C#N)cc1)CC2 428095982 ANMVUKFVCIUCLB-UHFFFAOYSA-N 428.557 5.100 30 20 IKED Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)N(CCC#N)CC1CC1 428869936 CWFKZOZPIPITIS-UHFFFAOYSA-N 433.531 5.889 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4ncccc4Cl)CC3)cc2)cc1 429767084 NGVLONSUNIUTRD-UHFFFAOYSA-N 432.911 5.810 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](Sc2cccc(Cl)c2)C1 433127847 UWXWQFWVNBLFMY-YJBOKZPZSA-N 432.014 5.990 30 20 IKED C=CCC[C@H](NC(=O)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 433894163 ACBIDVSHOIZTNV-BHYGNILZSA-N 438.412 5.058 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NC3CCC(Oc4ncccc4C#N)CC3)s2)cc1 437104988 HLEKICNDKSCSOB-MIJUQJRQSA-N 448.592 5.435 30 20 IKED N#CCC[C@@H](NC(=O)C(=O)Nc1cccc(CSCc2ccccc2)c1)c1ccccc1 439445004 BQWHVFDUVLKDKC-XMMPIXPASA-N 443.572 5.220 30 20 IKED C[C@@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 439564883 AUQVYZGMDYPAFV-GOSISDBHSA-N 428.467 5.237 30 20 IKED CCCc1c(NC(=O)N2CC[C@H](CSc3ccccc3)C2)cnn1-c1cccc(C#N)c1 439682851 REPSHPMSOOURND-FQEVSTJZSA-N 445.592 5.343 30 20 IKED CC1CCC(N(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@H]2CCCO2)CC1 444196913 QOWDMJGYTJHYCD-GOLJUSPKSA-N 429.630 5.079 30 20 IKED C[C@H](C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1)c1cccc(C#N)c1 462244336 FLHJKEHPBVPSFN-UONOGXRCSA-N 440.366 5.425 30 20 IKED N#Cc1cc(NCc2cc(F)ccc2F)cc(NCc2cc(F)ccc2F)c1[N+](=O)[O-] 462823850 BSZGLXIIIZLHLR-UHFFFAOYSA-N 430.361 5.247 30 20 IKED C[C@H](C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c1cccc(Br)c1 463583025 OMULOHZPOQUSBE-ZDUSSCGKSA-N 425.248 5.015 30 20 IKED CCO[C@H]1C[C@@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C12CCCC2 466434665 SJYSREKIEDKINO-RPWUZVMVSA-N 433.552 5.191 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 466515827 PSUMWNUFUVIOOV-GOSISDBHSA-N 447.926 5.108 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CN[C@@H](c1ccccc1)C(F)(F)F 468060006 OHUKIWUBKHLZGR-QHCPKHFHSA-N 439.437 5.491 30 20 IKED N#Cc1ccc(CSCC(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1 474276849 SKWKMVSHUAWTBI-QGZVFWFLSA-N 446.416 5.620 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(CC=C)[C@H](C)c1cccc(-n2cnnn2)c1 475569227 PTUKDZVNFAVHBM-LJQANCHMSA-N 430.556 5.295 30 20 IKED CS(=O)(=O)c1ccc(-c2nc(CSCc3ccc(Cl)cc3C#N)cs2)cc1 478924064 QNXXIVSMGZBRRK-UHFFFAOYSA-N 434.995 5.172 30 20 IKED C[C@H](N[C@H](c1cccc(F)c1)c1nccn1C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 480355742 KOFCVYPNSZGTHI-KPZWWZAWSA-N 445.382 6.037 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N(Cc3ccc(F)cc3)C3CC3)cc2F)c1 481662572 XEVGTXSQBAAFNU-UHFFFAOYSA-N 433.458 5.612 30 20 IKED N#Cc1ccc(CN(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)C2CC2)cc1 481919129 IFWCVCZNVWTRII-UHFFFAOYSA-N 427.892 5.066 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(N4CCCC4=O)c(F)c3)cc2)cc1 482990365 NNRDJIWPBLWWHO-UHFFFAOYSA-N 429.451 5.063 30 20 IKED CC(C)c1c(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cnn1-c1ccc(Cl)cc1 485191080 HVVAMFKRIMUDQN-JOCHJYFZSA-N 449.942 5.126 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(F)cc3C(F)(F)F)s2)cc1 486865349 HLCHTCCFCXBELR-UHFFFAOYSA-N 438.431 5.112 30 20 IKED N#C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1ccc(Br)cc1 499393908 SBEYDCRDVVOCAM-KRWDZBQOSA-N 446.757 5.150 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCCCO[C@@H]1CCC[C@H](C)C1 499618363 TWQYNBSISPVFJL-SIKLNZKXSA-N 435.568 6.148 30 20 IKED N#Cc1ccc(C2=CCN(C(=O)c3cccnc3SCc3ccc(F)cc3)CC2)cc1 503909633 LLHNWLPXLHYTPO-UHFFFAOYSA-N 429.520 5.314 30 20 IKED N#C[C@@H](C(=O)c1ccc(CCC(F)(F)F)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 504554385 LALUPSCNCJTNPG-HNNXBMFYSA-N 445.466 5.261 30 20 IKED COc1cc(CN(C)C(=O)C(C)(C)c2cc(F)cc(C#N)c2)ccc1OCc1ccccc1 505187212 HZIIUKYLPLZMDK-UHFFFAOYSA-N 446.522 5.221 30 20 IKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)N[C@H](C#N)c2ccc(Cl)cc2)cc1 505794931 GMWWOFHHAUQLLO-OAQYLSRUSA-N 449.963 5.374 30 20 IKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CSc2ccc(C#N)cc2)cs1 505886705 KHTRBBDMUFICTN-UHFFFAOYSA-N 433.480 6.010 30 20 IKED C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 508867264 PGKRIGHQEOYULJ-LJQANCHMSA-N 448.542 5.151 30 20 IKED COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CSc2ccc(C#N)cc2)cc1 509638228 JCYUKCDSHYNSLK-DEOSSOPVSA-N 427.529 5.037 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@H](C#N)c1nc2ccccc2o1 510627994 KBTDJDHCWNDAQE-AWEZNQCLSA-N 435.892 5.594 30 20 IKED Cc1cc([C@H]2CCCN2C(=O)c2cnc(C(F)(F)F)c(C#N)c2)ccc1Br 511428510 KSNCNLKPCJTRCU-MRXNPFEDSA-N 438.247 5.020 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)cc1 512722851 KWJVDUJXRNLGIV-FQEVSTJZSA-N 425.941 5.228 30 20 IKED CC(C)CCSc1ccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] 513191460 NFEMJTWKUYDQHW-OAHLLOKOSA-N 437.443 5.637 30 20 IKED C=CCn1c(SCc2ccc(S(=O)(=O)C(C)C)cc2)nnc1-c1ccc(Cl)cc1 513630922 UVVGKAAALHOBTN-UHFFFAOYSA-N 448.013 5.259 30 20 IKED CC(=O)CCc1ccc2oc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)c(C)c2c1 517605457 DWMBLGDYNNQTTG-LJQANCHMSA-N 429.303 5.564 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)cc1 518537687 COUHWRRCFSGTGS-UHFFFAOYSA-N 430.439 5.026 30 20 IKED CCc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1-c1ccccc1 518873060 MPXCOKGJGGXJNT-OAHLLOKOSA-N 434.471 5.326 30 20 IKED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 520006303 YOEXESUINOALPS-KRWDZBQOSA-N 439.471 5.255 30 20 IKED C=CCn1c(S[C@H](C)c2ccc(C#N)cc2)nnc1-c1ccc(Br)cc1 524025500 NMWXBKJRWCDESA-CQSZACIVSA-N 425.355 5.619 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc2c(c1)NC(=O)CCS2 524119892 OJOSFPVBXSFLJR-UHFFFAOYSA-N 443.528 5.132 30 20 IKED Cc1nc(-c2ccc(CCNC(=O)c3ccc(COc4ccc(C#N)cc4)o3)s2)cs1 524385595 HONOQXLWNDFRLN-UHFFFAOYSA-N 449.557 5.196 30 20 IKED Cc1cc(NC(=O)c2cccc(CSc3cc(Cl)cc(Cl)c3)c2)n(CCC#N)n1 525028469 UWEAJEPJANZORC-UHFFFAOYSA-N 445.375 5.957 30 20 IKED Cc1ccccc1[C@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCO1 525226253 JGTXQRHOJKWVHB-UKILVPOCSA-N 445.950 5.909 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(OC3CCC3)cc2Cl)cc1 535350412 OBTLFBZSTJDSLX-UHFFFAOYSA-N 446.934 6.169 30 20 IKED Cc1cc(NC(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n(C)n1 542132210 OUJLPXAZQHRHCY-GFCCVEGCSA-N 448.289 5.191 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@H](C)C[C@H]1c1cccnc1 542674892 WEGXVPAYBAQXSM-BVZFJXPGSA-N 426.520 5.456 30 20 IKED N#C[C@H](C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1)c1nnc2n1CCCCC2 554376911 HQSZESVFAYNCOV-CYBMUJFWSA-N 431.348 5.530 30 20 IKED C=CCN(CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)Cc1ccc(Cl)s1 557053122 RQMOCNNYPKWLQJ-UHFFFAOYSA-N 428.989 5.139 30 20 IKED C=CCOc1ccc(CNC(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)cc1 568969051 YKXCQTQWUDTJNB-UHFFFAOYSA-N 446.572 5.221 30 20 IKED C/C(=C/c1cccc(C(F)(F)F)c1)CNc1ccc2c(c1)CCC(=O)N2CCCC#N 572037466 IRIFJYCIDPNYMY-LGMDPLHJSA-N 427.470 5.804 30 20 IKED C=CCn1c(-c2ccc3ccccc3c2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 578820998 XCMYRRVNRTYSEP-OKXSDPAFSA-N 430.577 5.219 30 20 IKED COc1cccc(/C=C(/CC(=O)NCC(C)(C)CCC#N)c2nc3ccccc3s2)c1 580360821 MJSHZNKOQCIGGH-RGEXLXHISA-N 433.577 5.682 30 20 IKED N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1c(Cl)cccc1Cl 580636099 QDZRKUYYOHWFEW-ZOWXZIJZSA-N 429.225 5.377 30 20 IKED CSCC[C@](C)(C#N)NC(=O)c1oc2ccccc2c1CSc1ccccc1F 581848656 HSMBRRFSSXUTCZ-JOCHJYFZSA-N 428.554 5.629 30 20 IKED CC1(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CCN(c2ccc(Cl)cc2C#N)CC1 587989729 OHXGDBLBUNLFNW-UHFFFAOYSA-N 444.966 5.006 30 20 IKED Cc1nc(CSc2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)cs1 591587814 IQMPEHZUNOAQDR-UHFFFAOYSA-N 425.604 5.808 30 20 IKED Cc1cccc(-n2nnc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c2C)c1 603962447 ZBOJXGTXBIECNL-QFIPXVFZSA-N 441.922 5.445 30 20 IKED N#Cc1cccc(COc2cccc(CN[C@@H]3CCc4nc(-c5ccccc5)ncc4C3)c2)c1 604557647 XOVYTXLVUKYLHL-AREMUKBSSA-N 446.554 5.241 30 20 IKED COc1cccc(F)c1[C@H](C)NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 608458667 CWJOQEIJXZBCQN-DCAQKATOSA-N 430.364 5.104 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCCOc1ccc(F)cc1F 609060406 DDVDJWLASHYWIA-UHFFFAOYSA-N 436.458 5.522 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N(CCc3ccccc3)Cc3cccnc3)o2)cc1 609072703 ZDFMAUYMOYLHLY-UHFFFAOYSA-N 437.499 5.010 30 20 IKED Cc1nc(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)[nH]c1Cc1ccccc1 609369296 AJTFWRNPBPGJJP-MRXNPFEDSA-N 436.606 5.434 30 20 IKED COCCOCc1cccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 609723638 PGJWKTWOFIBULB-UHFFFAOYSA-N 436.895 5.419 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(NC3CCCC3)c2)cc1 609805647 MNHOEFWKPBDFJH-UHFFFAOYSA-N 427.573 6.457 30 20 IKED CC(=O)N(Cc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1)C1CC1 609863894 WRQAMVBQBXXCRI-UHFFFAOYSA-N 439.515 5.308 30 20 IKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1 609939690 QCRIANVTTQGFKR-HSZRJFAPSA-N 427.504 5.193 30 20 IKED CN(Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 610325150 BDOCPNZVSWJBJN-HSZRJFAPSA-N 426.520 5.089 30 20 IKED C[C@H](NC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)c1cccc(C#N)c1 610361889 IZAVJEFXARIZOJ-HNNXBMFYSA-N 448.320 5.064 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 615080888 YHHXMQPVPMQLJB-UHFFFAOYSA-N 431.492 5.245 30 20 IKED CC(C)(C)C[C@H](NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1 618555630 RJYFDAKNRZAJRZ-FMKPAKJESA-N 442.419 6.075 30 20 IKED COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)ccc1OCc1ccccc1Cl 642281504 LWTAUJWBERUCEU-QGZVFWFLSA-N 432.863 5.559 30 20 IKED Cc1nc(-c2ccc(CCNC(=O)NCC#Cc3cccc(C(F)(F)F)c3)s2)cs1 642673956 ZMBRQDSMSYODNF-UHFFFAOYSA-N 449.523 5.092 30 20 IKED C=CCOc1ccc(C(=O)N[C@@H](C)c2ccc(OC3CCCC3)c(OC)c2)cc1OC 642678061 BWOFDXCYZGYIID-KRWDZBQOSA-N 425.525 5.081 30 20 IKED C=CCn1c(Cn2ccc3ccccc32)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 669806044 SDVMDIGOIGVMJO-JYFHCDHNSA-N 441.579 5.071 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCO[C@H](c2ccco2)C1 670215853 HYCKXRCAFRLZFS-DVECYGJZSA-N 444.535 5.318 30 20 IKED O=C(c1cccc(-c2c(F)cccc2F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 677418995 SQUIBNKKHZOLRC-KBPBESRZSA-N 437.330 5.835 30 20 IKED Cc1cc(F)c(Br)cc1NC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 682767289 MCSXILFCVGGLGQ-HTQZYQBOSA-N 437.153 5.101 30 20 IKED O=C(Nc1cc(Cl)c(Cl)cc1F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 685018307 BDGCZQDCQZQANQ-KNVOCYPGSA-N 427.147 5.727 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)COc2ccc(C3SCCCS3)cc2)c1 728012240 FEYBUAGYTWQWAD-UHFFFAOYSA-N 436.505 5.046 30 20 IKED O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(O)c(F)c1 728438765 NLBZRZPXLZRZGQ-XBXARRHUSA-N 430.262 5.987 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)cc1 729789561 HMAJODJZMJWGGK-LOSJGSFVSA-N 441.506 5.077 30 20 IKED O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 729877885 DISXLNHIASZDJE-INIZCTEOSA-N 436.327 5.224 30 20 IKED Cc1oc(NC(=O)COC(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)c(C#N)c1C 730344074 JJNNBGPLRVKQDD-UHFFFAOYSA-N 426.831 5.023 30 20 IKED N#CCOc1ccc(CNC(=O)[C@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)cc1 730542878 AZXGNZHHYCYZFM-JOCHJYFZSA-N 441.314 5.332 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)OCc3nnc(-c4cccc(Cl)c4)o3)c2)cc1 734585809 IZLVQRPKCPBTTL-UHFFFAOYSA-N 445.862 5.198 30 20 IKED CN(C)[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1c(F)cccc1F 734643628 DESYXZYVJNTPSS-NZQKXSOJSA-N 434.490 5.045 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)N(CCc2ccc(Cl)cc2)CC2CC2)c1 735100555 LADJLBAGVRAGMF-QFIPXVFZSA-N 425.960 5.185 30 20 IKED COC(=O)Nc1ccc(CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 737868772 UGCNXLYMTBOHOY-UHFFFAOYSA-N 445.544 5.001 30 20 IKED CC(C)(C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc([N+](=O)[O-])cc1 740531513 XYVWXQUCZNKNPI-AWEZNQCLSA-N 433.411 5.377 30 20 IKED CCCN(CC)c1ccc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 740758486 RGCSNEZQRUAADK-GOSISDBHSA-N 434.565 5.002 30 20 IKED C=CCc1cc(CNC(=O)c2ccc(C)c(NC(=O)OC(C)(C)C)c2)cc(OC)c1OC 742598650 FJYKQVOKWFAZKG-UHFFFAOYSA-N 440.540 5.018 30 20 IKED COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)N[C@H](C)c1cccc(C#N)c1 743779647 ZYFCRBDJDSWQHY-CYBMUJFWSA-N 429.904 5.058 30 20 IKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H](Sc1ccccc1Cl)c1ccccc1 744975130 HWVYMSOPHQIKGK-LERMDLETSA-N 444.984 5.160 30 20 IKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748619803 UNZZADAWNMPQAF-FQEVSTJZSA-N 430.420 5.028 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(C)n2[C@@H]2CCC[C@@H](C)C2)cc1 758170670 ZBWFDPOQMRVVSD-LVCYWYKZSA-N 425.602 5.074 30 20 IKED O=C1/C(=C/c2nc(Cl)cs2)CN(Cc2ccccc2)C/C1=C\c1nc(Cl)cs1 759071118 FEZXZBBPTGQAJB-MKFXEVHTSA-N 448.400 5.458 30 20 IKED C[C@H](C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1)c1cccc(C(=O)c2ccccc2)c1 762027646 YVHIKQQSPASGFS-KSFYIVLOSA-N 430.891 5.022 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)NCc1ccc(OCC#N)cc1 767942653 HROBDOAYIKPWHW-UHFFFAOYSA-N 448.910 5.125 30 20 IKED CC[C@H](C#N)Oc1cc(CN[C@H](C)c2cnn(-c3cccc(Cl)c3)c2C)ccc1OC 772980554 SPMXRGFALNNXOE-IIBYNOLFSA-N 438.959 5.375 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)c3ccccc3COc3cccc(C=O)c3)cc2)ccn1 773473641 UWGHNJOJLHZJQH-UHFFFAOYSA-N 449.466 5.389 30 20 IKED N#C[C@@H](COC(=O)c1csc(-c2cccs2)n1)Cc1cccc(Br)c1 774394040 SOBBEWYJSCSFIC-ZDUSSCGKSA-N 433.352 5.173 30 20 IKED C=CCCC(=O)Nc1ccc(COC(=O)c2csc(-c3ccc(F)c(F)c3)n2)cc1 774584463 CACAWZZCNXVFSB-UHFFFAOYSA-N 428.460 5.350 30 20 IKED C(=NOCc1cncc(OCc2ccccc2)c1)c1cccc(OCc2ccncc2)c1 783025498 DJPPQHJHTHFYHC-UHFFFAOYSA-N 425.488 5.185 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nc(C(F)(F)F)cs1 785680138 YLLFPJKDXYGINW-GUYCJALGSA-N 430.455 5.700 30 20 IKED N#Cc1ccc(-c2ccc(OC(=O)[C@H]3CCO[C@@H]3c3cnn(Cc4ccccc4)c3)cc2)cc1 792742173 CQMAKORSEZDDCY-RRPNLBNLSA-N 449.510 5.153 30 20 IKED COc1cc2c(cc1OC)C(=O)/C(=C\c1csc(COc3ccc(Cl)cc3)n1)C2 794960751 HESQPUHVHBZBJD-ZSOIEALJSA-N 427.909 5.215 30 20 IKED C=CCN(C(=O)COC(=O)CCC(F)F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 796024512 MJZDNJNYSQECQI-UHFFFAOYSA-N 449.306 5.224 30 20 IKED N#C[C@@H](C(=O)CCc1ccccc1C(N)=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 796642338 BMQWORLOOFJNQB-INIZCTEOSA-N 444.343 5.025 30 20 IKED CC(=NNc1ncnc(Cl)c1C(C)C)c1ccc(OCC(=O)Nc2ccccc2)cc1 797405186 ZXDXWWSJYPNROP-UHFFFAOYSA-N 437.931 5.107 30 20 IKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)c1ccccc1 797572857 JTERSLJXWDRVQP-ROUUACIJSA-N 441.597 5.663 30 20 IKED N#C[C@@H](C(=O)/C=C\Sc1cc(F)ccc1F)C(=O)Nc1ccc(SC(F)F)cc1 797943000 MNAHTHYHZIENBW-DANTVBBOSA-N 440.443 5.233 30 20 IKED N#Cc1cc(N[C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)ccc1N1CCC(O)CC1 799722608 LZGQDACHKNWPLL-PXNSSMCTSA-N 429.486 5.286 30 20 IKED N#C[C@H](C(=O)CN1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1)c1nc2ccccc2s1 801589504 QEUVVLPVPGIQOX-IERDGZPVSA-N 447.457 5.062 30 20 IKED C[C@H](C#N)Oc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cc1 809736842 LGNITSVDSWTQMS-QGZVFWFLSA-N 426.347 5.882 30 20 IKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 815908512 CVWUUAAQLNIYML-INIZCTEOSA-N 442.393 5.325 30 20 IKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN(C)[C@H]2CCCc3ccccc32)c1=S 818260295 WCFQYEJLPKSPPX-REWPJTCUSA-N 448.592 5.079 30 20 IKED CCc1ccc(N=C2NC(=O)[C@@H](CC(=O)Nc3ccc(Oc4ccccc4)cc3)S2)cc1 913100015 ZMJAWXPBMOBNCX-JOCHJYFZSA-N 445.544 5.289 30 20 IKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN(C)Cc2c(C)noc2C)c1=S 914784607 NIXLUQWJCDYFQP-UHFFFAOYSA-N 425.602 5.259 30 20 IKED Cc1oc(-c2cccs2)nc1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915101312 GXRQEIOZGNDBEV-HNNXBMFYSA-N 439.949 5.907 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 915354199 WYDUYEKKHANLDL-HSZRJFAPSA-N 435.531 5.630 30 20 IKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(OC(F)F)cc1 916210487 GQYLDITVMFLRPW-SFHVURJKSA-N 447.507 5.048 30 20 IKED CCOc1cc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)cc(Cl)c1O 916277001 OGNHRHCDOGXEAZ-UHFFFAOYSA-N 443.743 5.181 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 916681795 YXKRCKHSVQTBHF-RUZDIDTESA-N 437.499 5.875 30 20 IKED COc1ccc(CCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1Cl 916911666 XGSDVDAFIFNISV-LJQANCHMSA-N 448.906 5.421 30 20 IKED Cc1cc(C)n([C@@H](C)CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1 916997332 WDVIEBCYQCUQEY-XJKSGUPXSA-N 433.364 5.758 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCc3[nH]c4ccc(F)cc4c3C2=O)cs1 917560730 XVIDPEOCMBWRTE-WJDWOHSUSA-N 445.519 5.969 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3nc(-c4ccccc4)oc3C)n2)cc1 920142033 JPPISAJURUUEIA-LJQANCHMSA-N 429.501 5.201 30 20 IKED FC(F)(F)COc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1 921256005 JGSCBIQJOQKWSO-UHFFFAOYSA-N 426.851 5.047 30 20 IKED Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)CC#N)cc3)CCC2)c2ccccc12 1787650483 FYMWNMPZUHZXNY-UHFFFAOYSA-N 425.532 5.129 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5cccs5)on4)cc3)CCC2)C1 1789774088 DYUKGWPROOMAHN-UHFFFAOYSA-N 433.533 5.117 30 20 IKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2occ(Cl)c2c1 1799326541 TWQZDZSVFJHGHH-BCDXTJNWSA-N 428.960 5.330 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccccc3n2C)[nH]n1 1814443127 NFZYJFSZNVJHMY-OAQYLSRUSA-N 447.583 5.200 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2)[nH]n1 1814826628 ATSQKUWPPQCVEV-OAQYLSRUSA-N 440.975 5.066 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CSc2ccccc2)n[nH]1 1816954236 WEPIHHUVGRGAPQ-FQEVSTJZSA-N 440.613 5.187 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccccc2C)n[nH]1 1822057616 GHFXGARCEHJCMA-GGAORHGYSA-N 434.584 5.111 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823212559 VPTZUXNPRDPCPD-WZONZLPQSA-N 445.567 5.111 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cccc(C)c3[nH]2)CC1 1828545035 YEDBRGBUDSFWIB-RUZDIDTESA-N 447.623 5.478 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3sccc3[nH]2)CC1 1828708873 OACCIVMHSQMTLQ-QFIPXVFZSA-N 439.625 5.231 30 20 IKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4occ(Cl)c4c3)CC2)C1 1829699021 UKAGYORPUZSJJZ-JOCHJYFZSA-N 440.971 5.286 30 20 IKED Cc1ccccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1829946702 HYWCJHIIZUSVJY-LVXARBLLSA-N 443.591 5.169 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3sccc3c2O)CC1 1830959010 LXUUZLSDQMXVKU-UWJYYQICSA-N 440.609 5.052 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c4c(Cl)cccc34)CC2)C1 1830992670 QPSLEIUBXBFVNJ-QFIPXVFZSA-N 439.987 5.021 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)ccc2OCC)CC1 1831375129 ZULSRCCUUIZMTE-PGRDOPGGSA-N 447.019 5.184 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](CC)c2ccccc2)CC1 1831444178 KJZQTGOXENCYEL-FGZHOGPDSA-N 432.555 5.011 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccccc2OC)cc1 10118324 LPXSUFRTLGUDPN-UHFFFAOYSA-O 431.581 5.085 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(C)c(F)c2)cc1 11082941 YEDJSGXJPLJBAM-UHFFFAOYSA-O 429.487 5.313 30 20 IKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2ccccc2)c1 11085031 NWSXDKHOVQSIAF-UHFFFAOYSA-O 440.386 5.404 30 20 IKED CCN(CC)c1ccc(-c2nnc(SC[C@@H](C#N)CCC#N)n2-c2ccccc2)cc1 15243185 XLGSWTNTLYGQKD-LJQANCHMSA-N 430.581 5.316 30 20 IKED Cc1c(C#N)c(NC(=O)CSc2nccc(C(F)(F)F)n2)n(C2CCCCC2)c1C 22614586 WAPNXYHAUVIBGL-UHFFFAOYSA-N 437.491 5.021 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2c(C)cccc2C)cc1 22694037 PJDYDRXLJIWAQC-UHFFFAOYSA-O 448.568 5.421 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)c1c(C)cc(C)cc1C 23592361 HWTCXHYCCOBWPJ-UHFFFAOYSA-N 425.529 5.082 30 20 IKED CC[C@H](C#N)Oc1cc(CNCc2cc3ccccc3nc2N2CCCCC2)ccc1OC 236900346 GVTBXMZWKRIHKZ-HSZRJFAPSA-N 444.579 5.204 30 20 IKED O=C(COc1ccc(C(=O)/C=C/c2csc(-c3cccs3)n2)cc1)Nc1ccccc1 303172618 JBQXQPORZHDXIM-JLHYYAGUSA-N 446.553 5.785 30 20 IKED CC(C)(C)n1nc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1C1CC1 303194870 NBTHSUDGACQQJQ-UHFFFAOYSA-N 448.954 5.872 30 20 IKED CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3SC[C@H](C)C#N)ccc12 303314636 RVKLPPLAEHXORX-MRXNPFEDSA-N 436.533 5.015 30 20 IKED C=CCCc1ccccc1NC(=O)CCc1ncc(-c2ccccc2Br)o1 410347898 RMXMZVVHIPAOLK-UHFFFAOYSA-N 425.326 5.794 30 20 IKED C[C@@H](Nc1cccc(NC(=O)C2CCCCC2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 426207902 AKBSZLKJFZUMBD-OAHLLOKOSA-N 436.581 5.066 30 20 IKED CCn1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(C(F)(F)F)n1 435677565 HIVCWKCQVDOGMY-UHFFFAOYSA-N 448.832 5.278 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 438049431 PQYQJZBSFWWMGL-HNNXBMFYSA-N 433.499 6.158 30 20 IKED CN(Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1cn(-c2ccccc2)nc1-c1ccccc1 441168924 BCAQRFJULCKEIE-UHFFFAOYSA-N 446.514 5.093 30 20 IKED N#Cc1cccc(-c2nnc(CN3CCC(c4nc5cc(Cl)ccc5s4)CC3)o2)c1 441248938 NPWWUFDQGZLFOS-UHFFFAOYSA-N 435.940 5.251 30 20 IKED C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2cn(CCCC#N)c3ccccc23)C1 443949299 PDJWCUBFLGHCDV-BGYRXZFFSA-N 442.563 5.315 30 20 IKED Fc1ccc([C@H](NCc2nc(-c3cc(F)c(F)c(F)c3)no2)C(F)(F)F)cc1Cl 444809491 CTDWJWHXMGUOOD-HNNXBMFYSA-N 439.718 5.340 30 20 IKED Cc1ccc(C)c(-c2csc(NC(=O)Cc3noc(/C=C\c4cccc(C#N)c4)n3)n2)c1 445417180 KQXCLOROZZKOBZ-HJWRWDBZSA-N 441.516 5.033 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)c2ccc3c(c2)NC(=O)CS3)c1 460333460 VKKFBISGOSZNFU-UHFFFAOYSA-N 433.920 5.103 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccc3cnccc23)c1 462401748 RKHLQURHBDYNGY-UHFFFAOYSA-N 433.920 5.155 30 20 IKED N#Cc1cnc2ccccc2c1N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 462831157 DCSVPEICKTXILJ-UHFFFAOYSA-N 437.478 5.452 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C(=O)OC)c1ccc(Cl)cc1Cl 463271115 IMRULRATMKURIN-LJQANCHMSA-N 448.375 5.368 30 20 IKED COC(=O)[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 466241520 QKWLJMBLEJXGIO-FCHUYYIVSA-N 447.922 5.074 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)N3CCO[C@@H](c4cccc(Cl)c4)C3)c2)cc1 466323635 YWJYDUZAJRABKN-XMMPIXPASA-N 432.907 5.004 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Cl)c(CN(C)C)c2)cc1C 467759963 QCSURPBKOWHPQM-UHFFFAOYSA-N 435.959 5.048 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(O[C@@H]4CCOC4)cc3)cc2Cl)c1 469091030 TXWNLYGEVTWULW-JOCHJYFZSA-N 448.906 5.211 30 20 IKED C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470547515 RXQIPSXQKWACMQ-AVRWGWEMSA-N 430.552 5.105 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@@H](C)c3ccc(Cl)c(Cl)c3)C2)n1 471292477 LOUFZPNQDAUUNW-YJBOKZPZSA-N 431.367 5.005 30 20 IKED C=C(C)[C@H](NCc1ncc(Br)cc1Br)c1ccc(F)c(F)c1 474003866 ZBLWLMFYMGRDRM-INIZCTEOSA-N 432.106 5.292 30 20 IKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)C[C@@H](CC#N)c1ccccc1)CC2 474413751 PJWOJBPFSNXHHT-BCHFMIIMSA-N 446.572 5.327 30 20 IKED CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)n1 474445012 JWOZBLLLTDRRTF-IBGZPJMESA-N 432.574 5.697 30 20 IKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)cc12 474450268 WHEJMPFHTBWSEC-QGZVFWFLSA-N 438.553 5.664 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2c(F)cc(F)cc2F)nnc1-c1ccc(Cl)cc1 476699105 MWYFGDSTNXTVJR-LLVKDONJSA-N 437.874 5.565 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1 479663557 QFGXBAMAQYXMMR-JOCHJYFZSA-N 436.483 5.201 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](c1cccc2ccccc12)C(F)(F)F 481286237 OHLJKVJMSWAGFE-OAQYLSRUSA-N 432.442 5.316 30 20 IKED C=CCn1c(Sc2ncnc3scc(-c4ccc(F)cc4)c23)nnc1-c1ccccn1 481833751 GJJREXMQZPUBSR-UHFFFAOYSA-N 446.536 5.488 30 20 IKED N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1nccc2ccccc12 483220914 QBEUTBFMYVTMJQ-OAQYLSRUSA-N 425.469 5.784 30 20 IKED Cc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1[N+](=O)[O-] 487384566 BCVAHDPIIRCUSH-UHFFFAOYSA-N 446.410 5.093 30 20 IKED Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nc(C(F)(F)F)n1 488660181 WATBQRJXXDECGV-INIZCTEOSA-N 430.817 5.365 30 20 IKED C=CCSc1ccccc1NC(=O)CSc1nnc([C@H](CC)c2ccccc2)o1 488759051 BRNYLUHBKFGKGO-QGZVFWFLSA-N 425.579 5.620 30 20 IKED C=CCn1c(SCc2cccc(C(=O)Nc3ccccc3)c2)nnc1-c1ccccn1 488890585 MUBXZLOTHCLPSI-UHFFFAOYSA-N 427.533 5.071 30 20 IKED C=CCn1c(SCC(=O)c2cc(C)n(-c3nccs3)c2C)nnc1-c1cccs1 489401945 XAYGUVUFHBXODR-UHFFFAOYSA-N 441.607 5.032 30 20 IKED C=CCn1c(SCc2nc(O)c3c(C)c(C)sc3n2)nnc1-c1cccc(Cl)c1 489620314 HKICVSILGVLCPV-UHFFFAOYSA-N 443.985 5.404 30 20 IKED N#Cc1ccc(Br)c(CN[C@H](Cc2ccc(Cl)cc2)c2ccccn2)c1 491595742 DASIJSCCWWKHPA-OAQYLSRUSA-N 426.745 5.443 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H](C)c1sc(-c2ccccc2)nc1C 495625801 RBPWSKUTGUTJHS-FUHWJXTLSA-N 425.623 5.434 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1 499381337 HIRHOMXDCMBOPZ-GOSISDBHSA-N 440.366 5.113 30 20 IKED N#C[C@@H](NC(=O)CSCc1coc(-c2ccccc2)n1)c1c(Cl)cccc1Cl 505508721 ZTGZIPXAUSXZBH-QGZVFWFLSA-N 432.332 5.263 30 20 IKED C=CCc1cc(CN(CCC)Cc2nnc(-c3ccccc3Cl)o2)cc(OC)c1O 506085083 HQPRVVGLIIMFIW-UHFFFAOYSA-N 427.932 5.245 30 20 IKED C[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1cc(F)c(Cl)cc1Cl 510825058 HRTJMMABECSBQC-ZDUSSCGKSA-N 436.314 5.318 30 20 IKED COc1ccc(Cl)cc1CN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 510857192 LKLCCJZREDGTMK-UHFFFAOYSA-N 435.911 5.985 30 20 IKED CN(CCOc1ccccc1Cl)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511440830 QDVJTTJECWKYBU-UHFFFAOYSA-N 448.910 5.007 30 20 IKED N#Cc1c(F)cccc1-n1ccc(NC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)n1 513090176 SGOLJAAPQKXRBQ-QFIPXVFZSA-N 437.478 5.063 30 20 IKED COc1ccc([C@@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C(C)C)cc1 514025797 ZRQBPLIZJAJYBL-SANMLTNESA-N 445.538 5.815 30 20 IKED CCCc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)[nH]c(C)c1C(C)=O 518999775 JVRFKODQRPLNEX-NRFANRHFSA-N 433.939 6.039 30 20 IKED C=CCOc1c(Br)cc(CNC[C@@H]2CCN(c3ccccc3)C2)cc1OCC 520206783 LWLUQVFWVDXFFI-SFHVURJKSA-N 445.401 5.029 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccc3ccccc3c2)cc1 520278407 XWZZRYUWXGBVJA-SANMLTNESA-N 447.538 5.485 30 20 IKED C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cccc(N2CCCC2=O)c1 520537068 ORGABNCJAFYSDX-GOSISDBHSA-N 440.503 5.360 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)NC[C@@H]3CCCO[C@H]3c3ccccc3)c2)cc1 520601584 YXQRXCGCTJPVHO-OFVILXPXSA-N 427.504 5.640 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](COc1ccccc1)c1ccccc1 520941009 BHRSKQKYGDDZJU-CVDCTZTESA-N 431.561 6.023 30 20 IKED N#CC1(NC(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)CCCCC1 522762599 UBUFMBUDKZYJMC-UHFFFAOYSA-N 431.323 5.594 30 20 IKED N#Cc1ccc(C(=O)Nc2nc(C3CC3)c(Cc3cccc(C(F)(F)F)c3)s2)nc1 523311804 GMGJYHRINFFMOA-UHFFFAOYSA-N 428.439 5.149 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(OCc2cccc(F)c2)cc1C 524387757 WCLCKOPWTXVFTP-UHFFFAOYSA-N 448.494 5.391 30 20 IKED C=CCOc1c(Br)cc(/C=C/c2ncc(C(=O)O)c(C(C)C)n2)cc1OCC 525338941 KGULQDVTJFYBEG-BQYQJAHWSA-N 447.329 5.195 30 20 IKED Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](c3cccc(Cl)c3)C3CCCCC3)CC2)o1 530288011 SXPUIRHDUPQTJT-JOCHJYFZSA-N 440.975 5.162 30 20 IKED COc1ccc(Br)cc1CNC(=O)Nc1ccccc1S[C@H](C)CC#N 532636520 JQRFHOJJZJFBQM-CYBMUJFWSA-N 434.359 5.174 30 20 IKED CCc1ccccc1-n1c(SCCCC2(C#N)CCOCC2)nc2ccccc2c1=O 537510946 ZRRUJYKMRJGSSV-UHFFFAOYSA-N 433.577 5.141 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2[C@@H](C)CC[C@@H]2CC)c1 538993607 YPYYXMZVOIKOTR-HKUYNNGSSA-N 447.000 5.124 30 20 IKED C[C@@H](c1ccccc1)N1CCC(NC(=O)c2ccccc2Oc2ccccc2C#N)CC1 540870827 PMWAPWFYJWNVQB-FQEVSTJZSA-N 425.532 5.306 30 20 IKED Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nnc4n3CCCCC4)c3ccccc3n2)c(C)c1 541876553 KGYBZQDHQOTTQE-JOCHJYFZSA-N 435.531 5.327 30 20 IKED CSc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C 542995154 RDAPGWNVWCZXMY-QGZVFWFLSA-N 429.545 5.072 30 20 IKED O=C1C[C@H](c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)c2ccc(F)cc2N1 544971819 GHOYWDAGVPSQJK-ZDUSSCGKSA-N 445.294 5.387 30 20 IKED CC(C)c1c(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)cnn1-c1ccc(Cl)cc1 548808325 YGPJGLCVSHPJIT-UHFFFAOYSA-N 448.958 5.133 30 20 IKED C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 549254118 QVOXIJIZTBRRBB-GDLZYMKVSA-N 449.407 5.202 30 20 IKED CC[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1cccc(C(F)(F)F)c1 553543679 BXAYWCVAYWJKJN-IBGZPJMESA-N 434.433 5.280 30 20 IKED C=CCC[C@H](NC(=O)C(=O)N[C@H](c1ncccc1C)C(C)C)c1ccc(C(F)(F)F)cc1 553995711 XUUSKOKIPMTPJK-PMACEKPBSA-N 447.501 5.046 30 20 IKED N#CCC[C@H](C#N)CNC[C@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 554863382 RDVGTNROMGXXBN-FOIQADDNSA-N 433.408 5.187 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1 561214859 KSNQRUSIQCPIKO-UHFFFAOYSA-N 443.503 5.016 30 20 IKED Cc1onc(-c2cccc(Br)c2)c1C(=O)Nc1cc(C#N)c2ccccc2n1 577678359 RWQHAOUFYXVMTF-UHFFFAOYSA-N 433.265 5.085 30 20 IKED Fc1cc(C(F)(F)F)cc(C2(c3nc(Cc4ccc(C(F)(F)F)cn4)no3)CC2)c1 579282906 HAZKVLHLOVVBPT-UHFFFAOYSA-N 431.311 5.312 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Br)c(C)c3)n2)cc1 580556988 BVYYADGAPKZEJT-INIZCTEOSA-N 427.323 5.380 30 20 IKED C=CCN(C(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1nc2c(s1)CCCC2 580665950 TZQFSPILDNQQOC-UHFFFAOYSA-N 432.471 5.059 30 20 IKED C[C@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)Nc1ccccc1Cc1ccccc1 582114938 PAPPZUPHUMNSCV-FQEVSTJZSA-N 448.526 5.775 30 20 IKED N#CC[C@@H](Cc1nc(CC(=O)Nc2ccccc2Oc2ccccc2)no1)c1ccccc1 583314596 KWMLHVOGZDPCGA-FQEVSTJZSA-N 438.487 5.283 30 20 IKED Cc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 588841245 DMAOYQVZMMYYPK-UHFFFAOYSA-N 447.494 5.846 30 20 IKED Cc1cccc(-c2nnc(SCCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)o2)c1 589934175 JKJVWZIOSAJOQO-CQSZACIVSA-N 438.578 5.224 30 20 IKED C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)C(=O)N[C@H](CCCC#N)c3ccccc3)c2)C1 590298805 OLUDHBBMILXDMM-DCEDVJGZSA-N 447.579 5.272 30 20 IKED N#CCCC[C@H](NC(=O)C(=O)Nc1ccccc1Nc1ccc(F)cc1F)c1ccccc1 590299512 VOEAXLZQYNUSCX-FQEVSTJZSA-N 448.473 5.198 30 20 IKED C=CCOc1ccc(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)cc1OC 590483104 RTUMLHTXCLCUJK-UHFFFAOYSA-N 433.942 5.168 30 20 IKED C=C(C)CN1CCC(NCc2ccc(OCc3cccc(C(F)(F)F)c3)c(OC)c2)CC1 592290829 GNVIROIDZWNJKG-UHFFFAOYSA-N 448.529 5.423 30 20 IKED COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 592993124 CPIRRQKIDBVGPI-GOSISDBHSA-N 447.343 5.458 30 20 IKED COc1cc(C)c(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC 604461952 ZHVAPRRNCHRZCH-UHFFFAOYSA-N 431.492 5.340 30 20 IKED CN(C)Cc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 609080828 VNLHVUDLTBQURV-UHFFFAOYSA-N 448.954 5.174 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(Br)cs3)cc2F)c1 609105495 XAOHOUGGTHWRRC-UHFFFAOYSA-N 431.286 5.353 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(CNC(=O)c2cccs2)cc1 609378217 VWXMVYZRTRFZQK-INIZCTEOSA-N 435.574 5.182 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H](c2cc3ccccc3[nH]2)C1 609385140 SVBKFBAJVHBTHG-UYAOXDASSA-N 432.593 5.380 30 20 IKED Cc1nc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)sc1Cc1cccc(F)c1 609501489 UMRSDXBVPATSIJ-UHFFFAOYSA-N 444.491 5.493 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](c1ccccc1)C(F)(F)F 609682510 ZXIPKFTXUXGTJI-JOCHJYFZSA-N 439.437 5.871 30 20 IKED Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)s1 609723763 AIYFVOQYFIZARX-CQSZACIVSA-N 425.941 5.911 30 20 IKED N#Cc1cccc(CNC(=O)CNc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)c1 610078502 PSUQRQXKYLWSPM-UHFFFAOYSA-N 425.410 5.098 30 20 IKED C[S@](=O)c1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 610629206 OGYRQKHADSENQA-JRPXNJEYSA-N 437.952 5.055 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(OCc4ccc(F)cc4)CC3)cn2)c1 611260798 KATVJGDIPHIIQN-UHFFFAOYSA-N 446.482 5.098 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)s2)cc1 613392511 WZDSDHPWQUISLI-LJQANCHMSA-N 445.569 6.131 30 20 IKED CC(=O)Nc1cc(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)ccc1C 613394149 KPBZKMUEUYQKEX-YZOPDKEQSA-N 433.577 5.368 30 20 IKED Cc1nc2cc(F)cc(C(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2nc1C 613624057 LPGVFWQGGPYNTK-PJXYFTJBSA-N 437.359 5.025 30 20 IKED CC(C)(C#N)c1ccc(CN(CC(=O)Nc2ccc(Cl)cc2)Cc2cccnc2)cc1 614174234 OWZDAIYDXMZLIW-UHFFFAOYSA-N 432.955 5.177 30 20 IKED C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 670195983 MRKTTZPFORFKHK-DEOSSOPVSA-N 449.643 5.061 30 20 IKED Cn1c([C@H](C#N)C(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)nc2ccccc21 673811757 IMJJNNMVLAIDDV-CQSZACIVSA-N 426.423 5.206 30 20 IKED O=C(NC1CC(F)(c2cccc(Cl)c2)C1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 684630000 NWKDRKUPJGKMSJ-FFMGESDNSA-N 446.794 5.440 30 20 IKED C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1ccc(COC)o1 685551403 PMUGRWFNXCTPBM-IBGZPJMESA-N 444.988 5.491 30 20 IKED Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 726079541 AWPHGTWRKANUAP-UHFFFAOYSA-N 436.625 5.497 30 20 IKED COc1ccc([C@H](NC(=S)Nc2ccc(C#N)c(Cl)c2)c2ccc(F)cc2)cc1 726478015 DHBBRAWBLITEMT-OAQYLSRUSA-N 425.916 5.435 30 20 IKED COc1cc(-c2noc(CON=Cc3cccc(Cl)c3Cl)n2)ccc1OC(F)F 727484335 IAZGRAIADWMBTJ-UHFFFAOYSA-N 444.221 5.204 30 20 IKED N#CCSc1ccccc1C(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 727809754 IWOXYFHCAXLYCX-UHFFFAOYSA-N 429.476 6.034 30 20 IKED N#C[C@H](C(=O)Cc1c[nH]c2cc(Cl)ccc12)c1nc(-c2ccc(Cl)cc2)cs1 727953698 FMUGYUUOXSBIRY-QGZVFWFLSA-N 426.328 6.017 30 20 IKED C#Cc1cccc(N(C(=O)c2cncc(C(=O)N(c3cccc(C#C)c3)C(C)C)c2)C(C)C)c1 728247183 ROKWDFHDFKNZHI-UHFFFAOYSA-N 449.554 5.155 30 20 IKED COc1ccc2oc([C@H](C)NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c(C)c2c1 730133968 YZKPFSXRZFWMGN-MHECFPHRSA-N 439.515 6.288 30 20 IKED N#C[C@H](C(=O)CCCCc1ccc(Br)cc1)c1nc2cc(F)ccc2s1 730421758 OPVRNRLCDHCPIV-MRXNPFEDSA-N 431.330 5.787 30 20 IKED CC1CCN(c2ccc(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2)CC1 731107519 BVOVHEHULTUVJR-HHHXNRCGSA-N 438.575 5.900 30 20 IKED CN(C)C(=O)Sc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 731988238 KWERBANCRGZVOF-UHFFFAOYSA-N 431.517 5.571 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)c1 733774273 LYFQAOVUTAYCBB-SFHVURJKSA-N 434.521 5.003 30 20 IKED N#C[C@@H](C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)c1nc(-c2ccncc2)cs1 734081785 RONRHOZGSULJHZ-AWXVTKJVSA-N 433.842 5.767 30 20 IKED COC(=O)[C@@H](OC(=O)CCN1c2ccccc2Sc2ccccc21)c1ccc(C#N)cc1 740177266 CQHBRLUHEKLGAO-DEOSSOPVSA-N 444.512 5.009 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F 741426601 FJXVGJXRVDTISZ-BRWVUGGUSA-N 426.394 5.070 30 20 IKED N#Cc1ccc(-c2nnc(COC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)cc1 744493123 XSAQDTIRDHJPAM-UHFFFAOYSA-N 441.287 5.003 30 20 IKED Cc1ccccc1-c1noc([C@H](C)OC(=O)c2ccc(COc3ccc(C#N)cc3)o2)n1 746071977 LWRLZBWKBFBZFG-INIZCTEOSA-N 429.432 5.007 30 20 IKED COc1cc(C(=O)/C=C\c2ccc(Oc3cc(F)cc(F)c3)cc2)ccc1S(C)(=O)=O 747061326 GSYAYYCGRXGUSB-UITAMQMPSA-N 444.455 5.065 30 20 IKED COCC[C@H](Cc1cccc(Br)c1)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 747193260 GYMHSTBSMSEZST-NVXWUHKLSA-N 435.387 5.101 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=S)Nc2ccc3ccccc3c2)cc1 751013035 DHXPXXRGGVPRQJ-UHFFFAOYSA-N 425.513 6.321 30 20 IKED CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)c2oc3ccc(OC)cc3c2C)cc1C#N 752306132 UWRWRNXODFVOMH-CQSZACIVSA-N 436.468 5.073 30 20 IKED N#Cc1cc(F)c(C(=O)OCc2nc3cc(Cl)ccc3n2Cc2ccccc2)c(F)c1 756589749 MLSMJBFDBXMCOY-UHFFFAOYSA-N 437.833 5.245 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](c1cccnc1)c1cccc(C(F)(F)F)c1 759592116 CKRZJTHKLJGDHF-VFNWGFHPSA-N 426.394 5.072 30 20 IKED COc1ccc(C(=O)CCCCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 760182779 HSQFEANUUUBNNA-NRFANRHFSA-N 432.545 5.747 30 20 IKED Cc1ccc(Cn2nc(C)c(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)c2Cl)cc1 768140837 WSYWNDARBIVTCA-KRWDZBQOSA-N 447.753 5.503 30 20 IKED N#Cc1cc(N[C@@H]2CCCOc3c2ccc(Cl)c3Cl)ccc1N1CCC(O)CC1 777116433 FYHVQNWWJJBLCQ-LJQANCHMSA-N 432.351 5.152 30 20 IKED COc1cccc([C@@H](NC(=O)Nc2ccccc2O[C@H](C)C#N)c2ccccc2Cl)c1 780672419 DLZMOGKNTKZHGU-WAIKUNEKSA-N 435.911 5.551 30 20 IKED C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 783075676 DKAZZJJRUGZYSN-IINYFYTJSA-N 445.224 5.127 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)CC1CCC(C(F)(F)F)CC1 783288469 SQBRZJTUXODAAM-QQFBHYJXSA-N 442.503 5.179 30 20 IKED C[C@H](OC(=O)c1occc1COc1cccc(C#N)c1)c1nnc(-c2ccccc2F)s1 783389015 NBIDMNPEXRUMCW-AWEZNQCLSA-N 449.463 5.306 30 20 IKED CC(C)(C)OC(=O)NCc1cccc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)c1 786915604 WXFBAEVRVLMFJL-QGZVFWFLSA-N 434.323 5.013 30 20 IKED N#CCCn1cc(CNc2ccc(OC(F)F)c(C(F)(F)F)c2)c(-c2ccncc2)n1 793316258 JASGCFGWVVZRFI-UHFFFAOYSA-N 437.372 5.091 30 20 IKED O=C1/C(=C\c2cccc(/C=C3/Cc4nc(Cl)ccc4C3=O)c2)Cc2nc(Cl)ccc21 806577097 MUFCXQZYZWAZFF-VULZFCBJSA-N 433.294 5.428 30 20 IKED N#CC1(OCCOC(=O)c2oc3ccccc3c2CSc2cccs2)CCOCC1 809080470 MSRPDXCILSJDAS-UHFFFAOYSA-N 443.546 5.033 30 20 IKED CC(C)(C)OC(=O)NCCC[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1 810195492 MINCZCHVUMERIT-LJQANCHMSA-N 442.947 5.379 30 20 IKED CCCc1c(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cnn1-c1cccc(C#N)c1 813530525 SVKWZOSQNACHBN-UHFFFAOYSA-N 444.278 5.164 30 20 IKED CCOc1cc(C#N)cc(Br)c1OC(=O)Cc1c(C)nc2ccccc2c1C 864170500 OMHAKYDKHCSREH-UHFFFAOYSA-N 439.309 5.033 30 20 IKED C=C(Cl)CSc1nc(C)c(Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)s1 904763742 KTJHEMGOJNPWGM-UHFFFAOYSA-N 445.010 5.030 30 20 IKED C=CCN(Cc1ccccc1)Cn1nc(-c2ccc(F)cc2)n(C[C@H]2CCCO2)c1=S 914570365 CGTIRAJRYOIWOJ-JOCHJYFZSA-N 438.572 5.045 30 20 IKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 915101647 JJNMNRVUKFATBZ-XLIONFOSSA-N 449.601 5.364 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)C(=O)Nc2c(CC)cccc2CC)cc1OC 916903979 VAFLSLYWILIRQY-GOSISDBHSA-N 442.943 5.223 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1 916916090 VCLMDCPGIYVLNY-NRFANRHFSA-N 449.938 5.618 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc3cccc(Cl)c3c2Cl)cc1OC 916934059 FFUHKDCCZXGDLL-LLVKDONJSA-N 449.315 5.186 30 20 IKED Cc1ccc(-c2nc(CC(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cs2)cc1 916944493 GCHFBJVSUQDPHW-SFHVURJKSA-N 444.343 5.315 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CSCc2coc(-c3ccccc3)n2)cc1 916951692 ZZASUEITCLQLCV-VGSWGCGISA-N 447.560 5.436 30 20 IKED COc1ccc(Cl)cc1C=Nn1c(C)nc2scc(-c3ccc(Cl)cc3)c2c1=O 917536278 MSOPSIUDLQIFFR-UHFFFAOYSA-N 444.343 5.631 30 20 IKED N#Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 917644383 CPHYDMPZJMUULL-ODLFYWEKSA-N 433.470 5.132 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@@H]4C4CC4)cc3)CCC2)c1 1786058270 GLVGMAPCEJQZKV-VEYWIMSWSA-N 427.548 5.107 30 20 IKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4ccsc4)cc3)CCC2)c(Cl)c1 1788238455 BRYUIPDGJYNBFR-UHFFFAOYSA-N 449.963 5.264 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccccc4n3)CCC2)cc1 1789454294 UXJNIKCUOHFIFF-NRFANRHFSA-N 440.547 5.146 30 20 IKED Cc1ccc2cc(C(=O)N3CCC4(CCCN(C(=O)[C@H](S)C(C)C)C4)CC3)sc2c1 1806067155 IVRGDEMYEDPKOP-OAQYLSRUSA-N 444.666 5.009 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)C2(C)CCCCC2)[C@H]1c1cccnc1 1813001837 FMSWWNZPWMSORO-FGZHOGPDSA-N 425.617 5.050 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CSC2CCCC2)[nH]n1 1819553181 YIWDPHLLEVFXCJ-LJQANCHMSA-N 432.634 5.070 30 20 IKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](c2ccccc2)C(C)C)CC1 1824237190 ZHHXXBYEFCIDJX-SGNDLWITSA-N 444.685 5.000 30 20 IKED Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830001788 LUICKZLWMKHYFZ-DEOSSOPVSA-N 449.982 5.067 30 20 IKED CC(C)C1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)CCC1 1832494290 XQXLAKPIOQVNKV-PXDATVDWSA-N 449.639 5.373 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2)c1 16597806 MCJCDLDXOXJODF-UHFFFAOYSA-N 440.952 5.282 30 20 IKED C=CCn1c(S[C@H](C)C(=O)c2ccccc2)nnc1-c1ccc(Br)cc1 29412194 ZOFFRXCYDVJCQF-CQSZACIVSA-N 428.355 5.257 30 20 IKED COc1cc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)cc(OC)c1OC 33472641 MIQBHTLFRYYKBP-QGOAFFKASA-N 431.513 5.746 30 20 IKED CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)c1ccc(C#N)cc1 139816946 VUVCSRHMLYNBOD-UHFFFAOYSA-N 426.907 5.337 30 20 IKED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1csc(Cc2cccc(Cl)c2)n1 426672870 UKUXEFKBZBKDLG-FCHUYYIVSA-N 435.980 5.228 30 20 IKED N#CCCn1cc(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 427161671 WHSSWOZLCISVDM-UHFFFAOYSA-N 448.241 5.070 30 20 IKED O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N(Cc1ccc(F)cc1)CC(F)(F)F 430694434 KKWUZDUAPCLHTE-UHFFFAOYSA-N 447.310 5.099 30 20 IKED CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 431889850 OMDWQVVCJUVHTF-GMAHTHKFSA-N 447.970 5.971 30 20 IKED COc1ccc(C(=O)CCC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1F 434011613 MLFWEAFTSXGGRO-UHFFFAOYSA-N 448.469 5.350 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2nc(C3CC3)no2)cc1)c1nc(-c2c(F)cccc2F)cs1 435461839 YNPIYLMQSJXSFT-HNNXBMFYSA-N 448.454 5.506 30 20 IKED CC[C@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 435595325 BNGKIVVZHDQUML-DEOSSOPVSA-N 443.547 5.251 30 20 IKED N#Cc1ccc(F)c(CNC(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1 436210061 MGNVGVPPDWLADS-MRXNPFEDSA-N 433.327 5.209 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@H](O)Cc1ccccc1 437399188 ZCVIFWZSWUNZJA-VXWZWFMZSA-N 433.939 5.109 30 20 IKED N#Cc1ccc(CN(Cc2csc(-c3cccs3)n2)c2ccc3nc(O)[nH]c3c2)cc1 440743163 XVYHUNZWDQCJOR-UHFFFAOYSA-N 443.557 5.532 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1Cl 442371750 BTLGCAKRCQUGAD-ITBLURSFSA-N 435.955 5.019 30 20 IKED Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1cn(CCCC#N)c2ccccc12 444031462 ILHMYBLEARJHMB-UHFFFAOYSA-N 442.563 5.378 30 20 IKED C=CCCO[C@H](C)c1nc(CC(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)no1 445430464 JOEVLPBKWALTNP-OAHLLOKOSA-N 440.569 5.326 30 20 IKED C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H]1c1ccc(Cl)cc1 460939507 NAKQWJIJJAPMKP-HXUWFJFHSA-N 446.942 5.165 30 20 IKED N#Cc1ccc(-c2nnc(N3CCC[C@H]3c3cccc(Cl)c3)n2C[C@H]2CCCCO2)cc1 461857409 BRSPAPDKKYPXME-PKTZIBPZSA-N 447.970 5.381 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1 463220993 RUNIJWXMLPKLRV-CLJLJLNGSA-N 443.522 5.329 30 20 IKED COc1ccc(C#N)cc1NC(=O)C(C)(C)c1csc(-c2c(F)cccc2Cl)n1 463606742 OSKFGAUOBCJJBB-UHFFFAOYSA-N 429.904 5.399 30 20 IKED CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 464802645 SIQUPVHBJCFVDP-UHFFFAOYSA-N 441.531 5.377 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)cc1 464861516 CGVMASDVAAWDOI-UHFFFAOYSA-N 426.476 5.195 30 20 IKED Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 464922030 PIBSEQDMQFEYEV-UHFFFAOYSA-N 425.488 5.568 30 20 IKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1cc(F)c(OC(F)F)cc1F 468206949 QDHIVIJLUFZVTR-UHFFFAOYSA-N 448.294 5.801 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@H]3CCCOc4c3ccc(Cl)c4Cl)ccc21 469286455 HHQJBAZPGDMOMM-IBGZPJMESA-N 444.362 5.902 30 20 IKED C[C@H](O)C[C@@H](CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccccc1 469698055 NYIGSJNOJPZTAD-PXNSSMCTSA-N 433.483 5.166 30 20 IKED CCc1ccc([C@H](NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C(C)C)cc1 470559040 NDCRYSCEOCCPFK-RUZDIDTESA-N 432.568 5.351 30 20 IKED CC[C@H](NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2)C(F)(F)F 470796205 HJLAVEDKDWBZLV-QPOXJZOHSA-N 439.362 5.566 30 20 IKED Cc1c(COc2ccccc2)cccc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 472879488 MYTOAUVOGYQONR-AZGAKELHSA-N 425.532 5.878 30 20 IKED C[C@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1cccc(NC(=O)Cc2ccccc2F)c1 474906197 KPTTWFYLKGOXMZ-SIKLNZKXSA-N 443.522 5.272 30 20 IKED C=CCOc1c(Br)cc(CNc2cccc(NC(=O)N(C)C)c2C)cc1OC 475327126 ARHOUTAEFNJPPG-UHFFFAOYSA-N 448.361 5.037 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 476078693 HSFRCRJVYYAMTL-UHFFFAOYSA-N 428.536 6.376 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 476082845 YERQGFPYOZKPNR-UHFFFAOYSA-N 440.609 5.356 30 20 IKED N#CC[C@@H](CC(=O)N1CCC(COc2ccccc2C(F)(F)F)CC1)c1ccccc1 476740660 COTKNGHHUCANQJ-FQEVSTJZSA-N 430.470 5.410 30 20 IKED N#Cc1ccc(CSCCC(=O)Nc2ccccc2C(F)(F)F)c(OC(F)F)c1 480396757 RYZIAYDBOHQRME-UHFFFAOYSA-N 430.398 5.440 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1cnc2ccccc2n1 483219223 SJPQBWSSOCMCHU-KRWDZBQOSA-N 444.834 5.474 30 20 IKED Cc1cc(Br)oc1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 488016328 WOXUBRRSACCHPG-UHFFFAOYSA-N 427.273 5.204 30 20 IKED COc1ccc([C@@H](NCc2ccc(C#N)cc2F)c2ccccc2)cc1Br 488064415 HQUMIBDZEDPSFX-QFIPXVFZSA-N 425.301 5.348 30 20 IKED C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1cc(Cl)ccc1C 489664332 XQSGHDAWXLFWHJ-INIZCTEOSA-N 442.972 5.124 30 20 IKED O=C(Nc1cccc(-c2noc(C(F)(F)F)n2)c1)N[C@@H](c1ccc(F)cc1)C(F)(F)F 490501555 ARIRCNGLECYPCA-ZDUSSCGKSA-N 448.298 5.320 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)cc1 493966474 INBMLKUEXVOWFH-UHFFFAOYSA-N 449.539 5.042 30 20 IKED COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N(C)CC(C)(C)C#N)cc1 497336859 QWCBRZNUPVMOJT-CYVLTUHYSA-N 425.532 5.352 30 20 IKED CCc1nc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)nn1-c1ccccc1Cl 499214906 YITSOPQYLWYLIM-LBPRGKRZSA-N 442.331 5.236 30 20 IKED C=CCC[C@H](NC(=O)N1CCC[C@](O)(C(F)(F)F)CC1)c1ccc(C(F)(F)F)cc1 500105209 JVSXRIHFYUZAKL-FUHWJXTLSA-N 438.412 5.202 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CCSc3ccc(F)cc32)cc1C 502357473 LXTPVCHSEVJRKV-NRFANRHFSA-N 434.540 5.187 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1 502650033 VITJREUNKWAABA-UHFFFAOYSA-N 434.540 5.129 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)C(=O)N[C@H](CC3CCCC3)c3ccccc3)n2)c1 503666145 HFZQNPIQWZBXCO-OAQYLSRUSA-N 444.560 5.058 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)nn1-c1ccc(F)cc1F 504560683 IYYKPEBXWBJMSD-CYBMUJFWSA-N 428.851 5.212 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 505429827 UNQPSCPVEOIPBM-UHFFFAOYSA-N 427.957 5.370 30 20 IKED C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 508738511 GLZJBXJKAWDJEJ-VGSWGCGISA-N 431.565 5.016 30 20 IKED CC1(C#N)CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccccc2Cl)CC3)CC1 509407051 NLZFFYPVHUFFJI-KNTRCKAVSA-N 441.962 6.141 30 20 IKED CC[C@@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(Cl)cc1 510242352 IHQOGMOCBHKNPK-QGZVFWFLSA-N 443.985 5.628 30 20 IKED CC(C)[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1 511018110 RIPYBPHZXFVBOL-JOCHJYFZSA-N 445.485 5.527 30 20 IKED C=C(C)CN(CC(=O)Nc1c(Cl)cccc1C(F)(F)F)Cc1cnn(C(C)C)c1 512547137 JISXIOXQUIABRN-UHFFFAOYSA-N 428.886 5.153 30 20 IKED C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(Br)cc1C(F)(F)F 518502067 JLYLBBRDSBZADW-AUUYWEPGSA-N 425.292 6.554 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3-c3ccccc3C#N)n2)cc1 518516713 TZECKDQVSMWLOL-QHCPKHFHSA-N 435.508 5.847 30 20 IKED CC(C)CC(=O)Nc1cccc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 519196383 AFXHNSZJIXSUKK-UHFFFAOYSA-N 442.519 5.657 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H](c2ccccc2)c2ccco2)cc1 520589100 NUTQDMAHLCJSIE-AREMUKBSSA-N 437.499 5.836 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2Cl)cc1 521089268 GVGYVDLGGRZYHF-UHFFFAOYSA-N 428.231 5.818 30 20 IKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1Cc1ccccc1 521259111 KWZDRNFLUPLROT-INIZCTEOSA-N 434.471 5.132 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(OCC(F)(F)F)c2)cc1 521384819 DPCLAZKRSUFORV-UHFFFAOYSA-N 442.462 6.044 30 20 IKED CCN(C)Cc1cccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 522088667 AFLBKUYSTWRCGY-UHFFFAOYSA-N 442.563 5.105 30 20 IKED CN(Cc1csc(Br)c1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 522361917 PSCGDCBURFHRAN-UHFFFAOYSA-N 441.350 5.233 30 20 IKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C 522465706 GVXAJDGSVOYEQG-RUZDIDTESA-N 437.547 5.156 30 20 IKED CN(C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)[C@H](c1cccc(F)c1)c1cnn(C)c1 523153855 FRGLWRRKLMINST-RUZDIDTESA-N 439.494 5.036 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCc3c(ccc(Cl)c3Cl)C2)cc1 523611376 AUSQWJNTVYGKDE-UHFFFAOYSA-N 444.362 5.398 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)N3CCSC[C@H]3c3ccccc3)cc2F)c1 523766636 QGZYAYCFGQCLJR-QHCPKHFHSA-N 447.535 5.598 30 20 IKED Cc1ccn2cc(-c3ccc(NC(=O)c4ccc(Oc5ccc(C#N)cn5)cc4)cc3)nc2c1 523842270 QSNUGWJESIUSTN-UHFFFAOYSA-N 445.482 5.621 30 20 IKED CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)n1 524316650 RFFIFRJYTYGBPM-UHFFFAOYSA-N 443.532 5.205 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 524390586 VHSMIASHSBLWQA-UHFFFAOYSA-N 436.515 5.121 30 20 IKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccsc2)c1 524569632 QHZOVMMWWAZERU-UHFFFAOYSA-N 432.954 5.035 30 20 IKED COc1ccccc1[C@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 524600115 AOETZGGTZBUXBO-FQEVSTJZSA-N 445.494 5.306 30 20 IKED C[C@@H](Sc1ccc(C#N)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 533177068 PQDHOODDMFLRLE-SECBINFHSA-N 429.807 5.258 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2ccc(OC(F)(F)F)cc2Br)cc1 534608508 RXDVBPURKOXYCK-UHFFFAOYSA-N 445.260 5.091 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccc(-c3cncnc3)cc2)cc1Cl 534884459 DDGRVDZQRNJNJD-UHFFFAOYSA-N 426.863 5.713 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Cn2c(C3CCCCC3)nc3ccccc32)cc1 536387745 XDXIQNKBROPEBL-UHFFFAOYSA-N 431.540 5.030 30 20 IKED N#CC1(c2ccc(C(=O)N3CCCc4c(NC(=O)CC5CCCCC5)cccc43)cc2)CC1 538523325 RCCRSJDJVVTETD-UHFFFAOYSA-N 441.575 5.744 30 20 IKED COCCOc1ccc(C#N)cc1N[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 542188220 QPIMCABKQWLJGL-LBPRGKRZSA-N 433.295 5.113 30 20 IKED C[C@H](NC(=O)N(C)[C@H](C)c1ccc([S@](C)=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 543019006 XCWGRMTUYMMYCN-YDVVPIMXSA-N 445.588 5.426 30 20 IKED CCN1C(=O)CCc2cc(NC(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)ccc21 544764259 AGGYOMRYHNKEQB-UHFFFAOYSA-N 425.488 5.210 30 20 IKED Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1ccccc1 549501865 WWJGMEPWVRZPEQ-LJQANCHMSA-N 449.986 5.477 30 20 IKED CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 550313571 FAGKUXXXGVFBDY-FQEVSTJZSA-N 442.416 5.066 30 20 IKED C=C(C)[C@H](NC(=O)N[C@H](c1cncc(Br)c1)C1CC1)c1ccc(F)c(F)c1 551295474 VOYVPCSGHCGMJV-OALUTQOASA-N 436.300 5.190 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCO[C@@H]1c1ccnn1C(C)C 554412293 GIKFRSAFCSTNAP-UPVQGACJSA-N 445.523 5.088 30 20 IKED C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 558990511 AZBAPNIREUOPAV-XMMPIXPASA-N 443.595 5.251 30 20 IKED CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N[C@H](CCCC#N)c1ccccc1 561302563 JUZMEPIJQQEUFE-GOSISDBHSA-N 429.973 5.330 30 20 IKED C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1cc(C#N)ccc1Cl 563269953 ZRUBXJQXMKTBSL-ZIAGYGMSSA-N 430.335 5.520 30 20 IKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cc(F)c(OC(F)F)cc2F)c1 568563645 FQGFTONGMNJQDN-UHFFFAOYSA-N 430.357 5.269 30 20 IKED N#CCCn1cc(CN2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c(-c2ccncc2)n1 572080004 GOCBXIBNGAPQNU-FQEVSTJZSA-N 439.485 5.257 30 20 IKED C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](c2ccccc2OC)C1 573745160 JPPRAGATDOBSKL-MOPGFXCFSA-N 436.531 5.136 30 20 IKED CCN(C(=O)Cc1ccc(NC2CCN(c3ccc(C#N)cc3)CC2)cc1)c1ccccc1 586792746 GZCPKTQCLHKDNW-UHFFFAOYSA-N 438.575 5.235 30 20 IKED Cc1cc(C(=O)CCC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c(C)s1 591192137 GODRMMZGNQNMGO-QHCPKHFHSA-N 432.545 5.288 30 20 IKED C=CCN1CCC(NC(=O)N(CC)Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1 592526149 VNRXBIOBQHVBAF-UHFFFAOYSA-N 435.490 5.147 30 20 IKED O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 592911144 QXCFKOYSJZRCNU-OCAPTIKFSA-N 449.273 5.441 30 20 IKED CC(C)c1ccccc1-n1c(S[C@@H](C#N)Cc2ccccc2)nnc1-c1cccnc1 603986654 JUUJJZUSMMWPQR-OAQYLSRUSA-N 425.561 5.680 30 20 IKED C=CCN(C(=O)c1cc(C)c(-c2ccc(F)cc2)s1)c1nc(C(=O)OCC)cs1 608805910 RUTMZMJGUIDKCX-UHFFFAOYSA-N 430.526 5.329 30 20 IKED Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 608870227 DASJGSUYSKTIAD-HXUWFJFHSA-N 447.947 6.202 30 20 IKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccc(C(C)C)cc3)o2)c1 608930457 XUHSUYWEBLZMFL-LJQANCHMSA-N 448.592 5.904 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1c(F)cccc1Cl 609078571 AILNVVUYCBNDOC-UHFFFAOYSA-N 437.902 5.902 30 20 IKED CC(C)NC(=O)Nc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 609163844 AVYSXUUCHBMZJR-JOCHJYFZSA-N 446.938 5.778 30 20 IKED C[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1nc(C(C)(C)C)cs1 609295595 BSBNSXCDMMQHOZ-HNNXBMFYSA-N 447.564 5.447 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN([C@H](C)c2ccc(F)cc2F)CC1 609402850 DCODWZFUOQAZCE-DLBZAZTESA-N 444.551 5.127 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 609403074 QTHLYIYXKJQBNJ-MRXNPFEDSA-N 446.979 5.081 30 20 IKED C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccccc1S[C@H](C)CC#N 609428475 QCDAMUCRKZNZSB-OLZOCXBDSA-N 437.334 5.388 30 20 IKED CC(C)CC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 609601430 NRBPZPYLWOHONC-UHFFFAOYSA-N 429.480 5.374 30 20 IKED C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609682485 ZOVHBYKJKPNUMB-GCJKJVERSA-N 429.495 5.686 30 20 IKED Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)N[C@H](C)c1cccc(C#N)c1 613503615 VNUQFMOXIBJSTO-MRXNPFEDSA-N 432.911 5.655 30 20 IKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(CC)cc2)nnc1-c1ccc(F)cc1 619097368 NONCVZWLSGSQOV-IAGOWNOFSA-N 438.572 5.191 30 20 IKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)c(C(F)(F)F)c1 620692006 VNEYGPXUAMQKJA-RKDXNWHRSA-N 425.266 5.484 30 20 IKED C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 669808616 DHHVEXJNDCHUTF-RYUDHWBXSA-N 442.766 5.101 30 20 IKED O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674564016 PQKDKVCWGKQMHE-GASCZTMLSA-N 438.318 5.836 30 20 IKED C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 675179053 ZXLVRJJKZTZTOQ-MEWQQHAOSA-N 444.366 5.503 30 20 IKED CCc1ccc(NC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)cc1F 676998388 PWOQLJMUVUGKTP-UHFFFAOYSA-N 445.338 5.864 30 20 IKED Cn1c(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)nc2cc(C(F)(F)F)ccc21 678208640 UPHKGOBVHOITBG-PHIMTYICSA-N 433.318 5.155 30 20 IKED FC(F)(F)c1ccc(Cn2cc(CN3C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C3)cn2)cc1 681751510 XVPMESDGEFTARY-HUUCEWRRSA-N 445.329 5.123 30 20 IKED C#Cc1cccc(NC(=S)N(CCN(CC)CC)Cc2ccc(Cl)c(Cl)c2)c1 726481272 RPHRJTNDGBAAPR-UHFFFAOYSA-N 434.436 5.516 30 20 IKED CCN(CC)c1ccc2cc(C(=O)/C=C/c3cccc(OCCCC#N)c3)c(=O)oc2c1 726743364 FEXRVOFRWWNBHA-JLHYYAGUSA-N 430.504 5.218 30 20 IKED N#Cc1ccc(NC(=S)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1Cl 727283591 BBGBKPNAXGDRNY-KRWDZBQOSA-N 426.756 5.289 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1csc(-c2ccccc2Cl)n1 727562277 WBDMAJYZCSKNOZ-AWEZNQCLSA-N 446.981 5.285 30 20 IKED CCOc1c(OC)cc(/C=C/C(=O)c2sc(-c3ccc(OC)cc3)nc2C)cc1OC 727973890 BJCRYFMPXLTAHV-KPKJPENVSA-N 439.533 5.439 30 20 IKED COc1ccc(NC(=O)NCc2ccc(C#N)cc2)cc1OCc1ccc2ccccc2n1 728122382 KXWDYHHEXYQIAQ-UHFFFAOYSA-N 438.487 5.016 30 20 IKED COc1cccc([C@H](C#N)NC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)c1OC 730221374 LSPCXEQNFCZXJF-INIZCTEOSA-N 444.459 5.028 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3nc(C)c(-c4ccccc4)o3)n2)cc1 730396349 SLBPUPJVSCOWPH-FQEVSTJZSA-N 443.528 5.591 30 20 IKED COc1ccccc1C[C@@H](C)CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 730690312 SLOOOBCHYBEIIV-CZUORRHYSA-N 432.467 5.769 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc(C)c1OC(F)F 730920490 MKTADMADAWMLER-OAHLLOKOSA-N 440.418 5.181 30 20 IKED CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)S/C1=N/[C@H](C)c1cccs1 731313460 ZIJLSZHZNOZGIF-GIHKFZEZSA-N 445.610 5.034 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2)CC2CCOCC2)cc1 732418735 VODXUJLADFZEKE-HHHXNRCGSA-N 439.559 5.803 30 20 IKED O=C(/C=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(-c2ccc(C(=O)O)o2)cc1 733083755 QEMVZVXJCPWXCK-CMDGGOBGSA-N 446.440 5.573 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)c1 733787693 UAGMDIMULRPXMP-HXUWFJFHSA-N 447.922 5.203 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nc2ccccc2s1 734207795 JXMXRUMCBZOBHZ-HNAYVOBHSA-N 446.963 6.488 30 20 IKED COc1cc(/C=C(/C(=O)OCc2cc(Cl)ccc2OCC#N)c2ccccc2)ccc1O 735344877 SGPMPQXVMDAGMB-FYJGNVAPSA-N 449.890 5.241 30 20 IKED C[C@@](O)(CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccsc1 741060327 CGCHAFRBEHVMIP-DENIHFKCSA-N 425.941 5.086 30 20 IKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCCC2)c1 743523905 FGHXPPIADVFHSO-FQEVSTJZSA-N 443.519 5.176 30 20 IKED CCCN(CC)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 744027325 QLZOZDBHSKZYHA-IBGZPJMESA-N 431.508 5.199 30 20 IKED C/C(=C\C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1C(F)(F)F 745270992 FVPRJQVGXZGODF-XSNHNAGMSA-N 448.466 5.101 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2sc(COc3ccc(Cl)cc3)nc2C)cc1 745406929 VRVSZUUQHXTUKY-UHFFFAOYSA-N 425.941 5.553 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN(Cc2cccc(C(F)(F)F)c2)C(C)C)c1=S 746044136 IIZHLOVNYJBSHR-UHFFFAOYSA-N 447.530 5.549 30 20 IKED Cc1c(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)oc2ccc(Br)cc12 746481705 MCENJWUATXHRPS-UHFFFAOYSA-N 434.633 5.189 30 20 IKED FC(F)(F)C(=NOCc1nnc(-c2ccc(Br)s2)o1)c1ccccc1 751966638 ZUDSEJDGMFGHQX-UHFFFAOYSA-N 432.221 5.044 30 20 IKED Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 754473915 DFCUEFYZPSFSJY-IRLDBZIGSA-N 434.540 5.646 30 20 IKED COC(=O)C[C@H]1CN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c2ccccc21 761458752 GGGRUMXIIYBMJC-SFHVURJKSA-N 446.890 5.311 30 20 IKED COc1cccc([C@H](C#N)NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1OC 761671906 OARMATMOAYBFQY-IBGZPJMESA-N 447.878 5.016 30 20 IKED Cc1cc(CSc2ccccc2C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)on1 768140038 JSNBDKSROUAIRE-GOSISDBHSA-N 447.438 5.169 30 20 IKED CC(C)(C)OC(=O)Nc1cccc(CC(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)c1 772404389 PUYUTECHOBLADN-QGZVFWFLSA-N 434.323 5.264 30 20 IKED Cc1ccc(-c2nc3c(s2)[C@H](Nc2ccc(N4CCC(O)CC4)c(C#N)c2)CCC3)cc1 777117601 NMLVNHAFQMCLPE-JOCHJYFZSA-N 444.604 5.441 30 20 IKED O=C(COC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1)Nc1ccccc1C(F)(F)F 781436519 QJEAKMXYBJSJBQ-UHFFFAOYSA-N 449.322 5.077 30 20 IKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nc(C(F)(F)F)cs1 785680136 YLLFPJKDXYGINW-CXAGYDPISA-N 430.455 5.700 30 20 IKED CC[C@@H](NC(=O)[C@@H](C#N)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 787047290 VKWPJHAQRSAHJZ-DLBZAZTESA-N 442.359 5.314 30 20 IKED Cc1cc(C)c(NC(=S)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c(Cl)c1 787194970 BQVYMSUGTSYTEO-UHFFFAOYSA-N 426.973 5.349 30 20 IKED CNC(=O)C[C@H]1SC(=Nc2ccsc2)N([C@H](c2ccc(Cl)cc2)C2CCC2)C1=O 790744780 AHKBIWNJWFTBFX-MJGOQNOKSA-N 448.013 5.011 30 20 IKED N#C[C@@H](C(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1)c1cnc2ccccc2n1 792101590 BLISYZLXBKCKRK-MZNJEOGPSA-N 431.467 5.618 30 20 IKED Cc1ccc(C(=O)N[C@@H](CC(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c2ccccc2)cc1 797567877 BXCIUBCNXHJDJN-RTWAWAEBSA-N 445.588 5.487 30 20 IKED C[C@H](Oc1ccc(Br)cc1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 798816262 JCDLRMCJIKSWER-IINYFYTJSA-N 435.730 5.356 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 799398104 BWIIODSJZUPVLF-QZTJIDSGSA-N 446.617 5.240 30 20 IKED COc1cc(/C=C(/Cl)c2nc(O)c3c(-c4ccccc4)c(C)sc3n2)ccc1C#N 799494033 AHWUENHOALIEIH-LICLKQGHSA-N 433.920 5.990 30 20 IKED N#Cc1ccc(Cl)c(C(=O)OCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c1 803831612 WSNXEIGHVFLQTJ-GOSISDBHSA-N 437.710 5.039 30 20 IKED C#C[C@H](NC(=O)c1ccccc1SCc1c(C)noc1C)c1ccc(Cl)cc1F 804420697 DGYSVHNEXDBOMR-FQEVSTJZSA-N 428.916 5.481 30 20 IKED O=C1/C(=C/c2csc(-c3ccc(C(F)(F)F)cc3)n2)C[C@@H](C(=O)O)c2ccccc21 806563402 WEECTHKPZXMBMM-FHLIRTJZSA-N 429.419 5.667 30 20 IKED Cc1cccc(C2(NC(=O)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CCCC2)c1 810420509 IZISVVZNGOTEOG-RUZDIDTESA-N 437.543 5.175 30 20 IKED CC(C)(C(=O)[C@@H](C#N)c1nccc2ccccc12)c1csc(-c2c(F)cccc2Cl)n1 810717362 VCLLWACCNAHULR-INIZCTEOSA-N 449.938 6.305 30 20 IKED CC1(c2ccccc2)C/C(=C/c2nc(C#N)cs2)C(=O)/C(=C/c2nc(C#N)cs2)C1 811693720 MAKFPKKFOXRGDV-BSHIDLADSA-N 428.542 5.131 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N[C@H](CCCC#N)c3ccccc3)ccc21 817325077 WRSKSZSKZLHHJV-JOCHJYFZSA-N 433.552 5.539 30 20 IKED Clc1ccc(CSc2nncn2N=Cc2c(Cl)ccc(Cl)c2Cl)cc1 818266352 OOXKEAGHDRJVFW-UHFFFAOYSA-N 432.163 6.066 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2oc3ccccc3c2COC(C)C)cc1 852997953 LSRUXOHABVJCHE-IBGZPJMESA-N 448.519 5.158 30 20 IKED CCN(Cc1ccccc1)c1ccc(C=Nn2c(S)nnc2-c2ccccc2OC)cc1 916277591 MTFGPZGNPSQVCT-UHFFFAOYSA-N 443.576 5.151 30 20 IKED COc1cccc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)c1OC(F)F 916333869 WZOBIGJYTHNCBL-UHFFFAOYSA-N 445.278 5.033 30 20 IKED CC(C)Oc1cccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 916720068 FKDRKNARBOHIPC-UHFFFAOYSA-N 429.520 5.441 30 20 IKED N#Cc1ccccc1/C=C\C(=O)C(c1nc2ccccc2s1)c1nc2ccccc2s1 916845363 UZLCHSMUMYUYSB-YPKPFQOOSA-N 437.549 6.192 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(C#Cc2ccccc2)cc1 916902164 DVIIBHNTSLKRDE-NRFANRHFSA-N 442.902 5.018 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Cl)cc1Cl 916928312 XWZPKQMSOGWIPR-SFHVURJKSA-N 443.330 5.183 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCCCN3C(=O)c3cccs3)n2)cc1 916974611 NUFWOOSIMDMZHP-MJGOQNOKSA-N 435.574 5.051 30 20 IKED N#C[C@H](C(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1)c1nc2ccccc2o1 917510142 RBYQWXFVYLKGCB-XMSQKQJNSA-N 447.288 5.587 30 20 IKED N#C[C@H](C(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1)C(=O)N1CCCC1 919664276 AUIHECNFWPHDJJ-QGZVFWFLSA-N 433.360 5.231 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ncc(-c4ccc(C)cc4)o3)n2)cc1 920140852 CNQWQMYJIVEWSA-FQEVSTJZSA-N 443.528 5.591 30 20 IKED CC(C)(C)N(N=Cc1csc(-c2ccccn2)n1)C(=S)Nc1cccc(Cl)c1 920385188 NNSZTTVLOQRNPP-UHFFFAOYSA-N 430.002 5.690 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 921009712 FNTRRHBVSRKKOU-UHFFFAOYSA-N 443.503 5.879 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cccc(-c4cnco4)c3)CCC2)cc1 1786679143 HVYFOPJWUYOGGM-UHFFFAOYSA-N 447.560 5.009 30 20 IKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@@]3(F)CCCCC3(F)F)cc2)CCC1)C(F)(F)F 1789167146 VYSKHZODAOULJB-IBGZPJMESA-N 448.407 5.157 30 20 IKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCn3nc(C)cc3C)cc2)CCC1 1791780627 VVJBGYLMPGOEGR-UHFFFAOYSA-N 436.600 5.017 30 20 IKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1814445391 KQRLLDFXFCUOHS-AVRDEDQJSA-N 447.583 5.335 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)ccc2F)n[nH]1 1814622333 RTMAIAGWOOKMRM-OXJNMPFZSA-N 444.938 5.277 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4occ(Cl)c4c3)n[nH]2)C1 1820228904 DMFYMXIZQQHWHO-IBGZPJMESA-N 438.915 5.081 30 20 IKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](c3ccccc3)[C@H](C)CC)CC2)C1 1826420172 ZVJUTEOBGGDIDH-QGUKFAFCSA-N 436.640 5.402 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Cl)c2)CC1 1829973941 QGHYZEPNBQOUBE-XZOQPEGZSA-N 429.004 5.342 30 20 IKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1830063851 FYZUCLSOEAXXLY-RLWLMLJZSA-N 443.591 5.169 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)nnc1-c1ccc(OC)cc1 16864988 YMVOOUFRVZHGTO-KRWDZBQOSA-N 436.581 5.382 30 20 IKED N#CCc1ccc(NC(=O)COC(=O)C2(Cc3nc4ccccc4s3)CCCCC2)cc1 19172486 MDPVTNKUDAOTMG-UHFFFAOYSA-N 447.560 5.037 30 20 IKED Cc1cc(C)c(N/C(S)=C(\C(=O)c2ccc(C)s2)[n+]2cccc(C)c2)c(Cl)c1 22732829 CQOIBRWWNTZHPM-UHFFFAOYSA-O 430.018 5.974 30 20 IKED Cc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)cc1F 24430095 FWSVMAUQHGEDKK-UHFFFAOYSA-N 431.311 5.610 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1 60354659 ZWSOQRBAZHSNOQ-UHFFFAOYSA-N 446.463 5.098 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@H]2c2cccc(Br)c2)cc1 64391123 CQOKEXDAOABJPY-ROUUACIJSA-N 437.259 5.015 30 20 IKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)c1C#N 110818848 AMPCFGVXJKZAGP-MRXNPFEDSA-N 428.561 5.978 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 115773513 MZTNXPWENQGLTO-UHFFFAOYSA-N 439.924 5.485 30 20 IKED Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)o1 303804526 MIKOFHOBMKYXRQ-RUZDIDTESA-N 443.547 6.382 30 20 IKED N#Cc1ccccc1COc1cccc(CN[C@H](CC(=O)O)C23CC4CC(CC(C4)C2)C3)c1 426719442 GQMFYROHQHZBGM-AUJBFMOVSA-N 444.575 5.287 30 20 IKED C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@H](c2cccc(C(F)(F)F)c2)O1 432699225 NCMNLVUVZAJSCY-FOIQADDNSA-N 431.458 5.500 30 20 IKED C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1Cc1cn(CCC#N)nc1-c1ccncc1 435125270 VZPPITVIFCGQLK-OAHLLOKOSA-N 426.351 5.285 30 20 IKED Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)Nc2ccc(F)cc2C#N)C3)cc1 435161880 VUHWMOCIJOXLMJ-UHFFFAOYSA-N 443.482 5.240 30 20 IKED C=CCC[C@@H](NC(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C)c1ccc(C(F)(F)F)cc1 439583350 TWEMSZTUXCLFRH-MAUKXSAKSA-N 435.494 5.214 30 20 IKED COc1ccccc1C[C@H](C)N(Cc1ccccc1)Cc1nnc(-c2cccc(C#N)c2)o1 441550500 LOXHSOBMRYYAMV-FQEVSTJZSA-N 438.531 5.250 30 20 IKED COc1ccccc1C[C@@H](C)N(Cc1ccccc1)Cc1nnc(-c2ccc(C#N)cc2)o1 441553772 VAYPYULMUBTUEM-HXUWFJFHSA-N 438.531 5.250 30 20 IKED CC(C)c1nc2ccccc2n1Cc1noc(/C=C/c2cn(CCC#N)c3ccccc23)n1 445658982 CDVRMYJNURGVMO-OUKQBFOZSA-N 436.519 5.630 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)Cc2coc(-c3ccc(F)cc3)n2)c1 460342758 JEMNPGYKYWIGKF-UHFFFAOYSA-N 445.881 5.782 30 20 IKED C[C@@H](C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F)c1cccc(C#N)c1 463583866 SHKRCVQAWZNZMS-OAHLLOKOSA-N 437.421 5.572 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H]1CCO[C@H]1c1ccccc1 466068458 NBPWROCPPQDILV-BWKNWUBXSA-N 427.504 5.558 30 20 IKED CSc1cccc([C@H](NC(=O)N(C)Cc2cccc(C#N)c2)c2ccc(F)c(F)c2)c1 466252620 QADZPQMZMBVLAS-QHCPKHFHSA-N 437.515 5.489 30 20 IKED C=CCn1c(SCc2nc([C@H](C)OCC(C)C)no2)nnc1-c1ccc(Cl)cc1 466612963 APSRJCZKAUFLGI-AWEZNQCLSA-N 433.965 5.193 30 20 IKED Cc1ccc(Cl)cc1NC(=O)C[C@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 469219165 KDSMVYHOHXJZTC-KRWDZBQOSA-N 438.959 5.061 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 472817122 DXGIBTXARSGPPV-UHFFFAOYSA-N 435.911 5.071 30 20 IKED Cc1nc(CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)oc1-c1ccc(Cl)cc1 473591918 ZJOOANCEGQZXBI-UHFFFAOYSA-N 447.878 5.277 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[C@@]3(C2)OCc2ccccc23)cc1 478325801 XOTDUKFIXGVORX-SANMLTNESA-N 428.463 5.151 30 20 IKED C=C(C)[C@@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccc(F)c(F)c1 478918418 VTLSSOYKOMFUFL-RUZDIDTESA-N 448.513 5.404 30 20 IKED Cc1cc(N2CCCC2)ccc1NC(=O)COc1ccc(Oc2ccc(C#N)cc2)cc1 480341542 XVPOKAKOMKSKEM-UHFFFAOYSA-N 427.504 5.277 30 20 IKED N#CC1(F)CCN(C(=O)Nc2ccc(Oc3ccc(F)cc3)c(Br)c2)CC1 484601104 RONCJALGMPHQJF-UHFFFAOYSA-N 436.256 5.240 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)cc1 485649261 USMUYKCMCSTAIR-UHFFFAOYSA-N 449.514 5.246 30 20 IKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(COC4CCOCC4)c3)n2)cc1 487912626 NRSZZTBEOXMPCQ-JOCHJYFZSA-N 432.545 5.304 30 20 IKED C=CCC[C@@H](NCc1cnc(-c2ccccc2OC)nc1)c1ccc(C(F)(F)F)cc1 491226039 WBMBRWJVDWPWEE-OAQYLSRUSA-N 427.470 5.968 30 20 IKED N#Cc1ccccc1-c1ccc(CS(=O)(=O)Cc2csc(Br)c2)cc1 494724578 CCSRUAFEXHTHGY-UHFFFAOYSA-N 432.364 5.164 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccnc1Oc1cccc(F)c1 500126217 SSYOZCWGXQBHFI-UHFFFAOYSA-N 431.920 5.626 30 20 IKED CC(C)c1ccc(-c2noc(CCC(=O)N(Cc3ccco3)c3ccccc3C#N)n2)cc1 501022669 QZCRLUFEBJQNFE-UHFFFAOYSA-N 440.503 5.491 30 20 IKED Cc1onc(-c2cccc(Br)c2)c1C(=O)Nc1cccc(OCCCC#N)c1 501849943 LFFUFCWTKPYGPR-UHFFFAOYSA-N 440.297 5.347 30 20 IKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 505308199 NUGZLLUINKAAFC-ZDUSSCGKSA-N 434.304 5.203 30 20 IKED N#C[C@@H](NC(=O)c1occc1COc1ccccc1)c1ccc(OCc2ccccc2)cc1 505356279 UGHVYAQLAQSEPV-RUZDIDTESA-N 438.483 5.432 30 20 IKED O=C(Nc1cc(C(F)(F)F)cnc1O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 506905016 YGCRRVXILGTXMP-LLVKDONJSA-N 447.257 5.250 30 20 IKED CC1(C#N)CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(Cl)cc2)CC3)CC1 509407789 SJVBDPDJYGEVSJ-KNTRCKAVSA-N 441.962 6.141 30 20 IKED C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1ccccc1OC(F)F 510172662 MTNHTIVNUIJEEA-AWEZNQCLSA-N 425.460 5.341 30 20 IKED Cc1c(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)nnn1-c1ccccc1 512608928 BGQCEIIXCASROD-UHFFFAOYSA-N 443.894 5.074 30 20 IKED N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1ccc(C(F)(F)F)cn1 513156246 RVRQVLAQQJBDBS-KRWDZBQOSA-N 443.406 5.650 30 20 IKED CCn1ncc2c(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cc(-c3ccccc3)nc21 513186696 NFHOFHBEFPJULZ-KRWDZBQOSA-N 435.409 5.022 30 20 IKED C=CCn1c(SCc2nc(COc3cc(C)cc(C)c3)no2)nnc1-c1cccs1 513816269 KVBSLZWXSRZDEI-UHFFFAOYSA-N 439.566 5.064 30 20 IKED C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 516060225 RCCNQMIYGAVCIT-HSZRJFAPSA-N 443.934 5.149 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(-c3ccccc3)nc2O)cc1 516142595 BDGSNBSYBQRVHL-UHFFFAOYSA-N 435.483 5.352 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 516748328 DEBTXJPPTFLVKN-INIZCTEOSA-N 449.457 5.095 30 20 IKED N#Cc1cccc(OC2CCN(C(=O)Cc3csc(-c4ccc(Cl)s4)n3)CC2)c1 517082000 UWPQFBDIHJSFLY-UHFFFAOYSA-N 443.981 5.009 30 20 IKED C=CCN(C(=O)Cc1coc(-c2ccc(Cl)cc2)n1)c1nc(-c2ccccc2)cs1 517919715 JVVXSEXGTKUKNM-UHFFFAOYSA-N 435.936 5.880 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(CN(C)Cc2ccccc2)CC1 520196823 FKSHOKGEFUJDEV-FQEVSTJZSA-N 436.625 5.457 30 20 IKED C[C@@H](C#N)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1c(F)cccc1Cl)CC2 521534995 XPJZINMNLUISTA-DLEKYWELSA-N 433.914 5.746 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 521726983 QWFMUDKHWMUFHX-GFCCVEGCSA-N 432.427 5.259 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NCc3ccc(Br)s3)cc2)cc1 521951161 PXPZTGKYUMRILO-UHFFFAOYSA-N 427.323 5.299 30 20 IKED C[C@@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nc(-c2ccncc2)cs1 522414336 HRNGPCBHLMPMRQ-QGZVFWFLSA-N 440.528 5.147 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(NC[C@H]4CCCO4)c(F)c3)c2)cc1 523515835 ATXNSEFXXOZVCC-JOCHJYFZSA-N 430.483 5.284 30 20 IKED C[C@](C#N)(CCc1ccccc1)NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 533504323 AKBSQBWTQLPQJV-AREMUKBSSA-N 445.588 5.354 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@H]1c1cc2ccccc2[nH]1 533520540 DKVYIJUYWWITPF-MBSDFSHPSA-N 432.593 5.728 30 20 IKED CN(C(=O)NCc1ccc(-c2ccccc2C#N)cc1)C1CCN(Cc2ccccc2)CC1 538109670 MWJILTOTJFJXIV-UHFFFAOYSA-N 438.575 5.031 30 20 IKED C=CCC[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1)c1ccc(C(F)(F)F)cc1 539054476 POLUKLSOHMIOSD-KXBFYZLASA-N 441.515 5.476 30 20 IKED COc1ccc(-c2nc(C(=O)Nc3cc(C(C)(C)C)sc3C#N)cs2)cc1OC 540274180 GKHJNLUFBSUADS-UHFFFAOYSA-N 427.551 5.310 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1c1ccc(Br)s1 543277422 FLQAXTRZTFHQEN-OAHLLOKOSA-N 434.359 5.538 30 20 IKED COc1cc(C#N)ccc1NC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 546707426 GYKGHGFGOQRVGH-UHFFFAOYSA-N 426.929 5.241 30 20 IKED C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@@H]1c1csc(C)n1 567523201 QCACBDWLBZVWBJ-LJQANCHMSA-N 448.621 5.669 30 20 IKED CCn1c([C@H](C)NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)nc2ccccc21 569699525 OVAROIJXHOQSQH-KRWDZBQOSA-N 449.986 5.065 30 20 IKED C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H]1c1cc(OC)ccc1OC 578101004 MQUFRPHPYGWRJG-QFIPXVFZSA-N 441.535 5.038 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@@H](C(=O)c4ccc(F)cc4)C3)cc2)ccn1 578472689 JVVRIIVUVKAZRO-GOSISDBHSA-N 444.466 5.011 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(-c3nc[nH]n3)cc2F)c1 578936404 QDOXJUQLKTYEAA-UHFFFAOYSA-N 433.830 5.180 30 20 IKED CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 581717606 JRTBEMZOYWPNFQ-AVRWGWEMSA-N 447.510 5.368 30 20 IKED C[C@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 585688823 OMPZAAPMPVPCKG-NSHDSACASA-N 439.890 5.624 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(C)(C)c2cccc(Br)c2)cc1 588033085 CDAJPQCAARDYPQ-UHFFFAOYSA-N 441.369 5.180 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)N2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)cc1 590567872 VMJYBLMTGGWARB-ZRZAMGCNSA-N 439.584 5.059 30 20 IKED O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cnc2ccccc2c1C(F)(F)F 591781201 OMNWGTUPYREGRW-UHFFFAOYSA-N 434.286 6.160 30 20 IKED Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)[nH]c2c1 604509976 OEJSOGFPXMVBFM-QFIPXVFZSA-N 438.491 5.299 30 20 IKED N#C[C@@H](C(=O)c1cccc(Oc2cnccn2)c1)c1nc(-c2c(F)cccc2F)cs1 606145480 IAQRSLHUNCJWHB-HNNXBMFYSA-N 434.427 5.161 30 20 IKED CC(C)CC[C@H](NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(Cl)cc1 608991111 FGONAXUDVWSYEM-QFIPXVFZSA-N 439.991 5.052 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCCc1c[nH]c2ccccc12 609378586 XGSRABHFSIDHDQ-UHFFFAOYSA-N 431.483 6.154 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CC=C(c4c[nH]c5ncccc45)CC3)cc2)c1 609434190 BVSWSMOVJMRLQF-UHFFFAOYSA-N 435.487 5.548 30 20 IKED COc1ccc2[nH]cc(C3CCN(C(=O)Nc4ccccc4S[C@H](C)CC#N)CC3)c2c1 609434978 IIWUBCHGRCULSK-QGZVFWFLSA-N 448.592 5.982 30 20 IKED CN1CCC(N(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c2ccccc2)CC1 609566773 LZMQVZZFANEHIF-UHFFFAOYSA-N 429.495 5.231 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 609986854 IAUPHLVSYSWPHJ-UHFFFAOYSA-N 445.482 5.922 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc3c(s2)-c2ccccc2OC3)c1C 610053860 ZXLFMLNCAVAMBN-UHFFFAOYSA-N 426.501 5.234 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 610209568 LPJFJFSPBURZGG-MRXNPFEDSA-N 447.922 5.045 30 20 IKED N#C[C@@H](C(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1nc2cc(Cl)ccc2s1 613407034 DRPVIHIUFFCLFT-ZDUSSCGKSA-N 446.841 5.644 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCCC[C@H]3c3nc4ccccc4o3)cn2)cc1 614137566 MZGJYNWXTYOGNX-NRFANRHFSA-N 439.475 5.646 30 20 IKED O=C(c1cc(Cl)cc(F)c1Br)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 670801631 BJOSOFQBMGISGJ-OCAPTIKFSA-N 442.556 5.054 30 20 IKED O=C(Nc1ncc(Cc2ccccc2F)s1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 672856096 SPEUNTLJOJWTKQ-TXEJJXNPSA-N 441.372 5.078 30 20 IKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cc(-c2ccccc2)no1 673573977 ZBPADUBQBBRMGC-UHFFFAOYSA-N 438.940 5.644 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1cccc(-c2ncco2)c1)c1ccc(C(F)(F)F)cc1 677213960 ZFFOOIQYSDCQBQ-LJQANCHMSA-N 443.425 5.123 30 20 IKED Cc1nc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(-c2ccccc2)o1 680617057 DHIVLMUZCICSFB-CQSZACIVSA-N 427.407 5.769 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@H]1C[C@H](c2ccccc2F)C1 684803419 VWHHYIJDOXFAMU-KLLCGCCRSA-N 426.376 5.280 30 20 IKED O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 684804631 PQRDUQHLWVXZOK-HAWYUUATSA-N 448.329 5.334 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(Cc3ccc(F)cc3)n2)cc1 727038608 MIRGATUFLUVIPA-QRWLVFNGSA-N 435.524 5.348 30 20 IKED CC(C)(C)c1ccc(CCCC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 727629009 MRBZNACTIPRPSG-LJQANCHMSA-N 447.604 5.772 30 20 IKED C[C@@H](NC(=S)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccs1 727977910 BTGNMBYWTDCZOF-CQSZACIVSA-N 427.982 5.900 30 20 IKED COc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc2c1O[C@@H](C)C2 727997225 VPOZUHVEKKJTEY-KRWDZBQOSA-N 428.488 5.030 30 20 IKED C=CCN(Cc1cccs1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 729577298 GWFYLTNEMVFPII-UHFFFAOYSA-N 427.570 5.656 30 20 IKED Cn1c([C@@H](C#N)C(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)nc2ccccc21 730688118 ZVFPHUCBERDNJC-SBUREZEXSA-N 433.870 5.362 30 20 IKED Cc1c(C(=O)/C=C/c2cc3cnn(C(C)C)c3nc2Cl)cnn1-c1cccc(Cl)c1 731565336 LFNIGSOCFLXIFV-BQYQJAHWSA-N 440.334 5.709 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)C(C)(C)Oc3cccc(Cl)c3)n2)cc1 733051851 AMGDJVRXMWVQHX-GOSISDBHSA-N 426.925 5.506 30 20 IKED COc1ccc(-c2csc3ncnc(NN=Cc4nccn4Cc4ccccc4)c23)cc1 734092955 JOECMXADQSAQFM-UHFFFAOYSA-N 440.532 5.058 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2nc(C)c(-c3ccccc3)s2)cc1C 734423279 KTOHDYVCZVOCRJ-UHFFFAOYSA-N 441.560 5.765 30 20 IKED Cc1ccc(-c2csc3ncn(Cc4cc(Cl)ccc4OCC#N)c(=O)c23)cc1C 735230815 RLFMPNXTHGADQW-UHFFFAOYSA-N 435.936 5.346 30 20 IKED Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 737542020 XZCZAWBDLJZPIM-UHFFFAOYSA-N 427.435 5.492 30 20 IKED COc1ccc(-c2ccc(C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)c(F)c2)cc1 739668967 LZUMBCHJKUSHQH-UHFFFAOYSA-N 440.478 5.428 30 20 IKED CC(=O)C1=C(c2ccc(C)cc2)N(c2ccc(C)c(F)c2)C(=O)N[C@@H]1c1ccc(C#N)o1 743741480 IVHXOLDCBOLOEI-HSZRJFAPSA-N 429.451 5.178 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)ccc1NC(=O)CC(C)C 744028171 HTAWUAIOWPNWRV-OAQYLSRUSA-N 427.504 5.094 30 20 IKED COc1ccccc1-c1nc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cs1 747021177 KWRRIVUMXSPXPN-ZDUSSCGKSA-N 446.315 5.087 30 20 IKED N#CCn1cc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc(Cl)cc2)CC3)cn1 747433890 ZNBVZJSNPQKVAU-LGMDPLHJSA-N 439.906 5.347 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C=C(/C)c1ccccc1OC(F)F 753394807 MTDZSCVEVNLKNV-ZDRDQBANSA-N 426.463 5.164 30 20 IKED Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2ccc(F)cc2OCC#N)c1 760783748 KKIJVDKCYIFCNQ-UHFFFAOYSA-N 444.441 5.281 30 20 IKED Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3OCC#N)c3cnn(C(C)C)c3n2)s1 760800329 BWLSRCLAXLHTMS-UHFFFAOYSA-N 449.511 5.343 30 20 IKED C=CCC[C@@H](NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccc(C(F)(F)F)cc1 761743426 OJJHCQMQCMLLLT-FGZHOGPDSA-N 443.469 5.367 30 20 IKED C=CCn1c(-c2ccccc2C)nn(CN2CC[C@H](COCc3ccccc3)C2)c1=S 765038795 XRQHFAFTVHVAAR-QFIPXVFZSA-N 434.609 5.072 30 20 IKED Cc1nc2c(s1)[C@@H](Nc1ccc(C#N)c(N[C@H]3CCCc4nc(C)sc43)n1)CCC2 767309932 FERULJVXGARJKO-ROUUACIJSA-N 436.610 5.462 30 20 IKED C[C@@H](NC(=O)C(C)(C)[C@@H](O)c1ccc(OCc2ccccc2)cc1)c1cccc(C#N)c1 778827546 RQSTVRMALMTXAH-CLOONOSVSA-N 428.532 5.074 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 780402809 MQVZXBIDNYSYGB-CYBMUJFWSA-N 436.377 5.559 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N(C)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 780678153 RDJPAAHIZUSYTD-XFQXTVEOSA-N 431.458 5.796 30 20 IKED CCc1cccc2c(CC(=O)[C@@H](C#N)C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)c[nH]c12 787047052 AHIFJPRBAWCNGQ-BFUOFWGJSA-N 442.346 5.166 30 20 IKED C#CC[C@@H](NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccccc1 790795524 DMYAPSTWRQAWTK-YADHBBJMSA-N 430.470 5.237 30 20 IKED N#C[C@H](C(=O)c1sc2cc(Br)ccc2c1Cl)c1cnc2ccccc2n1 792110373 ZJGQIPKISYSABU-LBPRGKRZSA-N 442.725 5.750 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN(Cc2ccccc2Cl)CC2CC2)c1=S 795672752 YBMPSGTWVASZFE-UHFFFAOYSA-N 425.989 5.185 30 20 IKED CC(C)(C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1[N+](=O)[O-] 796765176 SGRITVIZJOZIBS-OAHLLOKOSA-N 425.897 5.526 30 20 IKED O=C(NC1(c2cccc(C(F)(F)F)c2)CCOCC1)[C@@H](F)c1ccc(C(F)(F)F)cc1 801700728 SGOSNSDBGLMBPZ-KRWDZBQOSA-N 449.366 5.557 30 20 IKED N#C[C@H](C(=O)[C@H]1CCN(c2ccccc2Cl)C1)c1nc(-c2c(F)cccc2F)cs1 810556107 ZKCOITMWUKTKDU-UONOGXRCSA-N 443.906 5.444 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)ccc1OCc1ccccc1 813218528 XAJFUEGJDREXGX-GOSISDBHSA-N 426.394 5.178 30 20 IKED Cc1sc2ncn(N=Cc3sc(Sc4ccccc4)nc3Cl)c(=O)c2c1C 814728777 LCOFMWPAIIZIQE-UHFFFAOYSA-N 432.983 5.218 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 815011051 YPJDWKZCOJXKMD-LJQANCHMSA-N 425.366 5.521 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1nc(-c2ccccc2)cs1 915101370 ADUQARDFZMBQGB-SFHVURJKSA-N 433.920 5.928 30 20 IKED CC(C)c1cccc(C(C)C)c1NC(=S)Nc1ccccc1Oc1ncccc1C#N 916001207 XNPJNVMQEBBLAQ-UHFFFAOYSA-N 430.577 6.801 30 20 IKED CC(C)(C)c1ccccc1OCC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916885779 BLVFAEATQMXWOL-INIZCTEOSA-N 432.492 5.025 30 20 IKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(Cc2ccccc2)n1 916932482 WLCXOIGXJAAXFG-AWEZNQCLSA-N 430.316 5.002 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCCc2nc(-c3ccc(F)cc3)no2)cc1 916948283 FXBIBLGFDJUVQW-KKSFZXQISA-N 448.498 5.059 30 20 IKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 917045402 ZDQBJLOCXYOCOI-BBRMVZONSA-N 443.981 5.195 30 20 IKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@H]2Cc2cccc(F)c2)c1=S 917474859 RHRAYMBLYVOTRB-HXUWFJFHSA-N 438.572 5.079 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2ccc(Cl)cc2Cl)cs1 917540432 OOFSKNRUXFARQB-UHFFFAOYSA-N 439.755 6.234 30 20 IKED CCc1cccc2c(C3CCN(CC4=CC(=O)n5c(nc6ccccc65)[C@@H]4C#N)CC3)c[nH]c12 917832734 FOYCXIHARAODFL-JOCHJYFZSA-N 449.558 5.147 30 20 IKED O=c1c2c3c(sc2ncn1N=Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)CCCC3 920358585 GWRAGUCXQRAUDJ-UHFFFAOYSA-N 443.450 5.498 30 20 IKED CSc1nc(O)c(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)cc1C#N 1356202424 FYYUFLONRZZJRU-SFHVURJKSA-N 444.343 5.207 30 20 IKED Cc1sc(NC(=O)CN(Cc2ccc(C#N)cc2)C(C)C)nc1-c1ccc(Cl)cc1 1652383680 RSIBNWKBNFSUSN-UHFFFAOYSA-N 438.984 5.493 30 20 IKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(F)F)no3)CCC2)cc1 1786103902 PFOTZUMNOHEMJT-UHFFFAOYSA-N 429.467 5.128 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cnn(C(C)(C)C)c4Cl)cc3)CCC2)C1 1787127969 IWAVGXVLWZOEHJ-UHFFFAOYSA-N 440.975 5.005 30 20 IKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)no3)cc2)CCC1 1788367101 AVBGPRJRDFDIEY-UHFFFAOYSA-N 435.911 5.319 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3csc(-c4cccnc4)n3)cc2)CCC1 1788675876 AAYADCVLOSFIIQ-KRWDZBQOSA-N 446.576 5.165 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc4ncoc4c3)cc2)CCC1 1789078063 RZCFCSMZSAXUBH-UHFFFAOYSA-N 431.536 5.568 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccncc3-c3cccc(C)c3)CCC2)cc1 1791587207 BGNHJFKFZUKSFZ-UHFFFAOYSA-N 425.532 5.381 30 20 IKED COC1(CC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)CCC1 1792051121 PEJHLQBJTDTBIN-IBGZPJMESA-N 445.563 5.021 30 20 IKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc[nH]c5cc4Cl)CCC3)cc2)CCC1 1792230454 OYVKWBQJNFNQPK-UHFFFAOYSA-N 446.938 5.263 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)s2)[C@@H]1c1cccnc1 1805519723 KDPIWLODWZURPL-PXNSSMCTSA-N 446.016 5.109 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc[nH]c3cc2F)n[nH]1 1820202259 GTPOROPEBDLHCX-JTSKRJEESA-N 449.530 5.104 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 1829976452 TUHVYPMUTJYCIW-IIBYNOLFSA-N 437.411 5.439 30 20 IKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OC(C)(C)C)cc3)CC2)C1 1830597116 RMROXCYFSDJUFH-XMMPIXPASA-N 438.612 5.063 30 20 IKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 1831375438 WLNXIAYADIARLS-LAUBAEHRSA-N 436.518 5.151 30 20 IKED Cc1ccc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cccc3ccccc23)c1 11127280 HKUUASKBROYAAR-UHFFFAOYSA-O 437.588 5.975 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccccc2CC)cc1 22730396 MVNRRFIFSOSFFA-UHFFFAOYSA-O 439.988 5.640 30 20 IKED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(-c2cccnc2)n1-c1ccccc1C(C)C 23372185 VWMAXNAZIGGPJN-LJQANCHMSA-N 449.624 5.358 30 20 IKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1ncnc2cc(-c3ccc(F)cc3)sc12 23874881 NHRUIQLADOGXOE-ZSEKCTLFSA-N 428.558 5.032 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCCCCOc2ccc(F)cc2)cc1 25830430 GJOXVEDHDSHBOC-UHFFFAOYSA-N 434.536 5.579 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1 26498440 BPWWAOJBBHFWFS-INIZCTEOSA-N 441.622 5.791 30 20 IKED CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)COc2ccccc2C#N)cc1 30582512 OZZRGDIOUDDBSR-UHFFFAOYSA-N 427.504 5.126 30 20 IKED Cc1nc(COc2cccc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)c2)cs1 60461735 UJUZRNGNYZOYCR-UHFFFAOYSA-N 447.438 5.096 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N(C1CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 106065323 PUQVVVKYGXMWJI-INIZCTEOSA-N 432.490 5.117 30 20 IKED CCc1cc(C#N)c(NC(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)s1 108399550 JNMNLCISYWVEOI-UHFFFAOYSA-N 449.605 6.105 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccccc2OC(F)(F)F)cc1 302892140 HYTRXCIVJXPSFC-UHFFFAOYSA-N 442.462 5.679 30 20 IKED COc1ccc([C@H]2CCCN2C(=O)c2cccc(OCc3ccccc3C#N)c2)cc1OC 302967501 HLJDQOIOZCWDEK-XMMPIXPASA-N 442.515 5.132 30 20 IKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc(-c4cccc(Cl)c4)no3)c2)c1 303066180 ZRAMFYJFEAZRQV-UHFFFAOYSA-N 442.862 5.371 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cccc(F)c2-c2nc[nH]n2)c1 428237926 LXCVHPCJOZMRSD-UHFFFAOYSA-N 433.830 5.180 30 20 IKED O=C(NCCc1nc(C(F)(F)F)cs1)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 433227693 MERGJJUDKDLYBR-UHFFFAOYSA-N 449.323 5.146 30 20 IKED C=CCN(C(=O)[C@@H]1CCCc2sccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 434001249 HMOUWDWHNLZFBE-QGZVFWFLSA-N 425.535 5.419 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1CN(C)Cc1ccco1 438063785 DFSODSLAKKUVCH-LJQANCHMSA-N 448.592 5.485 30 20 IKED CC(C)c1cnc(-c2ccc(NC(=O)N3CCCN(c4ccccc4C#N)CC3)cc2)o1 438494617 QPFAVRREIKIMFP-UHFFFAOYSA-N 429.524 5.081 30 20 IKED COc1ccccc1-c1nnc(SCC(=O)c2cccc(C#N)c2)n1-c1ccc(C)cc1 439037167 DOIQPLBFXQZQRR-UHFFFAOYSA-N 440.528 5.098 30 20 IKED N#Cc1cc(NC(=O)C(=O)NCC2CCCCC2)ccc1Oc1ccc(C(F)(F)F)cc1 441610805 NFQZHEZQUZWIPU-UHFFFAOYSA-N 445.441 5.004 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)Nc2cccc3ccsc23)cc1F 442235545 KEAKAYRPBWJNMZ-UHFFFAOYSA-N 431.448 5.282 30 20 IKED Cc1c(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cnn1C1CCCC1 445238050 OIBXFQQQNIINSB-UHFFFAOYSA-N 429.524 5.596 30 20 IKED CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(CCC(F)(F)F)cc2)c1C#N 445561756 SNRDVMJLOPEIRC-UHFFFAOYSA-N 430.455 5.213 30 20 IKED C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 460961356 VHESZQGRUXWDEY-HOOXPUODSA-N 436.625 5.331 30 20 IKED C=C(C)Cn1c([C@H]2CCOC2)nnc1N(C)[C@H](C)c1ccc(-c2ccccc2OC)cc1 460962628 ZRKLFKHIMDGIIU-KNQAVFIVSA-N 432.568 5.231 30 20 IKED O=C(CCc1cccc(C(F)(F)F)c1)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 464727594 LYQRNADUWCBCCK-UHFFFAOYSA-N 445.338 5.620 30 20 IKED CSc1cccc([C@H](NC(=O)NCc2cc(C#N)ccc2F)c2ccc(F)c(F)c2)c1 466207698 ZRKVZJJHHKIOCB-QFIPXVFZSA-N 441.478 5.286 30 20 IKED COc1ccccc1O[C@H](C)CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 466305202 DMJACUFECFEDTN-GOSISDBHSA-N 431.492 5.257 30 20 IKED CN(Cc1cn(CCC#N)nc1-c1ccncc1)[C@H](c1ccc(Cl)cc1)C1CCCC1 467512103 GRVLBDWWQVIQCE-VWLOTQADSA-N 433.987 5.875 30 20 IKED N#C[C@H]1N(C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)CCC[C@]12CCCCO2 468668243 QORNOXDXBXKQID-YLJYHZDGSA-N 436.364 5.184 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)ccc21 470533271 SMTZHIBDPHGXPT-RUZDIDTESA-N 448.542 5.462 30 20 IKED C=CCN(C(=O)c1cc(C2CC2)nc2ccc(F)cc12)c1nc(-c2ccccc2)cs1 471127098 IGTFUNGGLGVVEH-UHFFFAOYSA-N 429.520 6.208 30 20 IKED Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)N(CCC#N)Cc3ccccn3)cc2)c1 473826614 FYOFPAHKMMSMDC-UHFFFAOYSA-N 442.563 6.040 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 475575424 ZDRGGWBLGXOVLG-NRFANRHFSA-N 445.485 5.262 30 20 IKED N#CC[C@@H](CC(=O)Nc1nc(-c2sccc2Br)cs1)c1ccccc1 479747494 QKDJXUJNEOTGPT-ZDUSSCGKSA-N 432.368 5.660 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCc2c(Br)cccc2[C@@H]1C 480558876 UYCHHEHZGORGEM-GJZGRUSLSA-N 444.398 5.852 30 20 IKED N#Cc1ccccc1Sc1ccc(C(=O)NCc2nc(-c3ccncc3)cs2)cc1 480899801 QDQKOTGBWMHMPF-UHFFFAOYSA-N 428.542 5.158 30 20 IKED C=CCn1c(S[C@@H](C(=O)NCc2ccccc2)c2ccccc2)nnc1-c1cccs1 481370639 JQMJYQKOCINASX-OAQYLSRUSA-N 446.601 5.342 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C[C@@H](c2ccccc2)C(F)(F)F)cc1 482929230 GTLPJNLFXCSGBA-QHCPKHFHSA-N 440.440 5.962 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N[C@H]3C[C@H](c4ccc(Cl)cc4)C3)c2)cc1 485136566 VNSAMRVSRWVNAJ-XGAFWQRZSA-N 445.906 5.005 30 20 IKED COc1cc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C)cc1C 485136748 WCHIENVYXFXFDC-HXUWFJFHSA-N 447.922 5.198 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1scc(C)c1Br 485783762 IOABDFUMQFEIFA-UHFFFAOYSA-N 441.350 5.830 30 20 IKED Cc1ccc(-c2c(C)sc3nc(CSCc4ccc(F)cc4C#N)nc(O)c23)cc1 488612170 UQNAIXJFXKJEPG-UHFFFAOYSA-N 435.549 6.125 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1SCC(=O)Nc1ccccc1Cc1ccccc1 488777816 GZUZCAVHUFXGCH-UHFFFAOYSA-N 427.451 5.294 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1C 493563510 LXSKXVOYWUXUQD-UHFFFAOYSA-N 442.519 5.374 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)cc1 499455801 MKBGAYJVXTYCLT-QZTJIDSGSA-N 437.259 5.015 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nn(-c2ccccc2Cl)cc1C 499618349 SSIRDGDSNYLYRI-UHFFFAOYSA-N 443.894 5.454 30 20 IKED Cc1cc(-c2cc(C(=O)N[C@H](C#N)c3ccccc3Cl)c3cnn(C(C)C)c3n2)c(C)o1 499946536 QTNCNUOJSYBTBZ-JOCHJYFZSA-N 447.926 5.537 30 20 IKED CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c1 501186053 IEZJPVVEHWAAPB-UHFFFAOYSA-N 438.940 5.572 30 20 IKED C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C(c1ccccc1)c1ccccc1 505276380 DVMADCAMRQHIMH-HXUWFJFHSA-N 441.550 5.251 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 505986440 JCOVASUZJGISJM-KRWDZBQOSA-N 449.429 5.183 30 20 IKED O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F 509278327 GWPFEMZCGSGFGE-ARFHVFGLSA-N 435.339 5.638 30 20 IKED CC1(C#N)CCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)CC1 509407526 PIFBYYOWZHBFBO-UHFFFAOYSA-N 438.534 5.122 30 20 IKED O=C(CCOCC(F)(F)C(F)F)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1 509540880 QCCLDUCWWDWKDH-UHFFFAOYSA-N 430.345 5.075 30 20 IKED COc1ccc(CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)cc1 510003780 DPNDYXIIRFQRAA-DEOSSOPVSA-N 445.950 6.201 30 20 IKED Cc1cc(Sc2ccccc2)ccc1NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 510228152 LACYUPGGYLYLNR-UHFFFAOYSA-N 441.560 5.249 30 20 IKED Cc1c(C#N)cccc1C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 510490951 KGTNZIFVYCTSHM-UHFFFAOYSA-N 441.384 5.529 30 20 IKED COc1ccc(S[C@H](C)C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 512327043 CGVZJJXUBWPRSP-GOSISDBHSA-N 434.536 5.416 30 20 IKED Cc1nc(-c2ccc(CCNC(=O)c3ccc(COc4ccccc4C#N)o3)cc2)cs1 512458727 YNXXLSWJFMGBEG-UHFFFAOYSA-N 443.528 5.135 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 513523540 AZUNIKFAJCEDHY-UHFFFAOYSA-N 427.549 5.261 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 515241367 PSEHYDHCCLIVLT-UHFFFAOYSA-N 446.477 5.279 30 20 IKED Cc1noc([C@@H]2CCCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)C2)n1 519992503 QYUSWVJBPQLLJT-MRXNPFEDSA-N 437.887 5.107 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Oc2cccc(F)c2)nc1 520803025 NARGKXRCYZWYJM-UHFFFAOYSA-N 432.499 5.252 30 20 IKED CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1 521245319 PFMQVBWTMJCMQM-MRXNPFEDSA-N 431.467 5.270 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)cc1 522219213 XSZUZXDIFACTHR-UHFFFAOYSA-N 439.516 5.133 30 20 IKED Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 523160116 NATQTMVTCFLCAV-UHFFFAOYSA-N 446.510 6.115 30 20 IKED COc1ccccc1[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 523422218 HMBZCUZLZRSOAP-SFHVURJKSA-N 447.922 6.034 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)c2)c1 523717082 RRAPAQNJIXWQJV-QFIPXVFZSA-N 436.298 5.439 30 20 IKED Cc1cccc2nc([C@@H](C#N)C(=O)c3cccc(NC(=O)CCCc4cccs4)c3)[nH]c12 524033051 AEGRAGGTSNOISO-FQEVSTJZSA-N 442.544 5.384 30 20 IKED N#CCCn1cc(CNC[C@@H](c2ccccc2Cl)N2CCCC2)c(-c2ccccc2)n1 524310487 PJOSQPXWSZLTLJ-DEOSSOPVSA-N 433.987 5.044 30 20 IKED CC[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1nc(C(F)(F)F)cs1 524718960 OCXPGAMQVDQHGP-LJQANCHMSA-N 431.483 5.853 30 20 IKED C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F 524920751 QCQFUBOGPGDDSP-UHFFFAOYSA-N 442.890 5.148 30 20 IKED C[C@]1(c2ccccc2)CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CCO1 531597996 CHFVYOSXPDUHMX-AREMUKBSSA-N 445.494 5.056 30 20 IKED CC1CCN(CCc2cccc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c2)CC1 536720262 BQHZEEWBMJUZBB-FTJBHMTQSA-N 430.596 5.265 30 20 IKED CC(C)(C)c1cc(NC(=O)c2cc(Br)sc2Br)c(C#N)s1 536971543 QGHHNUQRXSRFII-UHFFFAOYSA-N 448.205 5.756 30 20 IKED N#Cc1ccsc1NC(=O)CCN[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 537221712 UNWFVSDJDVJQQP-QGZVFWFLSA-N 427.879 5.361 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccccc1OC(C)(C)C)c1ccc(-c2cccc(C#N)c2)cc1 542064880 ZGUGEMXYAAUACN-SFHVURJKSA-N 441.531 5.218 30 20 IKED CCN(C(=O)c1nc(-c2cccc(C(F)(F)F)c2)oc1C)c1ccc(C#N)c(Cl)c1 542925912 FIPCSUCUISCCSY-UHFFFAOYSA-N 433.817 5.861 30 20 IKED Cc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(C)n1Cc1ccncc1 545856183 HNMIJLWBQBODKT-UHFFFAOYSA-N 440.478 5.604 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)N(C)C(=O)c3cnc(C(F)(F)F)c(C#N)c3)s2)cc1 550982512 OVHGGMBRVIWFSK-CQSZACIVSA-N 444.482 5.546 30 20 IKED N#CCCCn1cc(C(=O)Nc2cccc3cc(Br)cnc23)c2ccccc21 552807084 UMHKKWLGNORCES-UHFFFAOYSA-N 433.309 5.508 30 20 IKED Cc1ccc([C@H](N[C@@H]2CCCc3cc(C#N)ccc32)c2cccc(S(C)(=O)=O)c2)c(C)c1 552922696 OTTITDOIPIHIMQ-KAYWLYCHSA-N 444.600 5.335 30 20 IKED CC1(C(=O)N2CCC(CC(F)(F)F)CC2)CCN(c2ccc(Cl)cc2C#N)CC1 553594921 TYRXUWXDBZVJIY-UHFFFAOYSA-N 427.898 5.009 30 20 IKED C[C@@H](Oc1ccccc1NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)C(F)(F)F 554763827 LQIPPJXWTHMICJ-SECBINFHSA-N 438.290 5.365 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C 562084147 IWDUQCTWKJIHFO-UHFFFAOYSA-N 445.567 5.635 30 20 IKED N#CCCn1cc(CN2CCC(c3noc4cc(F)ccc34)CC2)c(-c2ccccc2)n1 569559665 MXZWOBVEBGBOND-UHFFFAOYSA-N 429.499 5.124 30 20 IKED CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccccc1NCc1ccccc1Cl 575035169 SOMIQJOQVFSMIG-UHFFFAOYSA-N 433.939 5.113 30 20 IKED C=CCN(C(=O)CSC[C@H]1CCCO1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 579032043 ZSCYLNCFDDIMOH-CQSZACIVSA-N 443.421 5.548 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(Cc1ccccc1F)C1CC1 589757750 IFPUBUNPVXHICU-WDNDVIMCSA-N 426.376 5.409 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)cc2)cc1 601432887 RLYNRUDJBQJIHX-HXUWFJFHSA-N 427.460 5.784 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(OCC(F)(F)F)cc3)c2)cc1 603921230 QVGPUZYUQUYDLE-UHFFFAOYSA-N 440.421 5.525 30 20 IKED N#C[C@@H](Cc1ccccc1)Sc1nnc(Cc2cccs2)n1CCc1ccccc1 603987154 KNVWJDVDVAOXKW-JOCHJYFZSA-N 430.602 5.400 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(F)cc(Br)c2)cc1 604003132 DTLCSQCUGDGAGN-UHFFFAOYSA-N 439.284 5.486 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1ccccc1OC(F)(F)F 608937216 HPGPLOGAVWRRTM-UHFFFAOYSA-N 441.409 5.524 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Br)cc2F)cc1C 609159567 OGPSSRKHUOIYJL-UHFFFAOYSA-N 441.304 5.235 30 20 IKED Cc1ccc(-c2cc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)n[nH]2)s1 609240723 IHCLMNRQDPNQLV-UHFFFAOYSA-N 430.558 5.863 30 20 IKED COc1cc(C)c(CN(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1OC 609297021 WXYNJXGMKUOMAK-UHFFFAOYSA-N 434.467 5.088 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(Br)cc1Cl 609398227 LTWVSVWYFGQADM-GFCCVEGCSA-N 438.778 5.676 30 20 IKED COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)Nc1ccccc1S[C@@H](C)CC#N 609434794 QTPLLKUOSSBMAZ-ICSRJNTNSA-N 439.581 5.303 30 20 IKED COc1cc(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1O 609636552 RPWKKGBDNDJYRI-FQEVSTJZSA-N 435.911 5.074 30 20 IKED CNC(=O)c1cc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)ccc1Cl 609723621 NFYPLCYBVNQCKJ-UHFFFAOYSA-N 440.286 5.269 30 20 IKED CCO[C@H](C)c1nc(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cs1 609754912 ORXFXSBANMDDRM-OAHLLOKOSA-N 437.521 5.094 30 20 IKED C[C@@H]1CCc2c(sc(NC(=O)c3ccn(-c4cccc(C(F)(F)F)c4)n3)c2C#N)C1 609965938 VSGBHGDWNXLBQF-GFCCVEGCSA-N 430.455 5.201 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](c1ccccc1)N1CCCCC1=O 610225688 YYNNZVIFXYTDAS-AREMUKBSSA-N 439.515 5.351 30 20 IKED N#Cc1cc(Cl)c(C(=O)NCCc2cccc(OCc3ccccc3)c2)c(Cl)c1 611224268 LFFKXYGGZHIGAF-UHFFFAOYSA-N 425.315 5.417 30 20 IKED CCc1nc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cc2nc1CC 613315253 HYCUQKTZYNKOSS-SFHVURJKSA-N 426.545 5.677 30 20 IKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 613401620 HAIVZFFXHMHWGD-GFCCVEGCSA-N 430.480 5.276 30 20 IKED C[C@]1(C#N)CCCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2cccs2)C1 619854381 KKOGRYRRMBBPRK-OAQYLSRUSA-N 444.029 5.464 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1NC(=O)c1ccccc1 642282399 OERSNLSXAPYLLS-SFHVURJKSA-N 444.441 5.482 30 20 IKED O=C(Nc1ccc(-c2cccc(F)c2)c(F)c1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 680262904 VCXXDZODEKRUFO-HUUCEWRRSA-N 438.318 5.836 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)cc1 726940714 PMUYWYRNUSXKKT-UHFFFAOYSA-N 431.496 5.004 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccccc2Cl)n1 727626758 FJYKXRIQJMPVKT-KRWDZBQOSA-N 437.952 5.549 30 20 IKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(CCCCC#N)C2=O)cc1 728776490 CDKCDIVRMJWQEC-JOCHJYFZSA-N 448.592 5.266 30 20 IKED N#C[C@@H](C(=O)CN1CCCCCCC1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 729071300 ZIIOCEBWGAUEIY-HNNXBMFYSA-N 436.364 5.086 30 20 IKED N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1nc2cc(Cl)ccc2s1 729891413 ICUKOMQVGOACRZ-INIZCTEOSA-N 440.912 5.338 30 20 IKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1csc2ccccc12 730061976 CQJOMBHFLCXJSC-SFHVURJKSA-N 441.556 6.429 30 20 IKED N#Cc1ccccc1COc1cccc(/C=C\C(=O)c2ccc(N3CCOCC3)c(F)c2)c1 731319952 SOGPAXMMIBIEGD-FLIBITNWSA-N 442.490 5.009 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c1 733771667 QPAKJZHACVJGFF-LJQANCHMSA-N 447.516 5.357 30 20 IKED CCCOc1nc2ccccc2cc1/C=C\C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 734082943 JOAZAKLAEKVRHK-WHXUGTBJSA-N 440.528 5.432 30 20 IKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)c1 734102663 CWDVYHRBGMEUPC-UHFFFAOYSA-N 430.464 5.047 30 20 IKED C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 734323634 UYVXQARUQZMRQM-BVFVYWQFSA-N 426.516 5.128 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](c2ccccc2Cl)C(C)C)ccc1OC 734670170 GGEQVQKSIPYZLS-HTAPYJJXSA-N 429.948 5.226 30 20 IKED CCc1ccc(CN2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)s1 738897521 WABHQZCZSGVVRQ-RUZDIDTESA-N 444.604 5.316 30 20 IKED CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F 741174320 LXNYKBSCIXKADV-ZIAGYGMSSA-N 425.790 5.218 30 20 IKED COc1cc(/C=C2/CCc3cc(C#N)ccc3C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 742438234 UCYPEKBVZUYWQU-MTJSOVHGSA-N 440.455 5.267 30 20 IKED C[C@@H](CC(=O)c1cccc(F)c1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 744075245 SKKONHOUTOEYMV-SWLSCSKDSA-N 428.435 5.313 30 20 IKED CCCOc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1 746007628 TXUQBNHSRPHJRJ-XFFZJAGNSA-N 442.487 5.791 30 20 IKED C[C@@H](C#N)Oc1ccc(CN[C@@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)cc1 761330275 LJSUILVCKKQOOA-DFBJGRDBSA-N 445.563 5.486 30 20 IKED COc1ccc(CCN(Cc2ccccc2)C(=O)Nc2ccc(F)cc2OCC#N)cc1 761670924 WJOCJWFEXUOXKE-UHFFFAOYSA-N 433.483 5.013 30 20 IKED C=C(C)Cn1c(-c2ccncc2)nn(CN(C)Cc2ccccc2OC(F)(F)F)c1=S 764863240 BYIHSLCUNLZGKB-UHFFFAOYSA-N 449.502 5.040 30 20 IKED C=CCn1c(-c2cccc(OC)c2)nn(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1=S 765047405 NFPRCZFNPLQGIV-GOTSBHOMSA-N 445.592 5.005 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(OCc3ccccc3)CCOCC2)cc1 772055859 HRSPXVPXNMULPD-VWLOTQADSA-N 426.516 5.047 30 20 IKED Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl 772646122 RJYZGBYSFAJPIK-AWEZNQCLSA-N 446.816 5.019 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc2c(cc1Br)OCCO2 775450472 HINSLFILRAJXIY-UHFFFAOYSA-N 443.750 5.155 30 20 IKED Cc1ccc2oc(CN(Cc3ccco3)C(=O)Nc3ccccc3O[C@@H](C)C#N)cc2c1 775723069 QALBICHJXAPKMH-SFHVURJKSA-N 429.476 5.859 30 20 IKED C[C@@H](NC(=O)Cc1ccccc1CC#N)c1nc(-c2ccc(Br)cc2)cs1 776980254 OAGIPGUZJACFTC-CQSZACIVSA-N 440.366 5.059 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C)cc2)[n+]2c(C)ccc(O)c2Cl)c1 777514717 RZSVVPFGHSYAAB-UHFFFAOYSA-O 435.956 5.255 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 778292941 AQVNXFLSKQPRLT-BLLLJJGKSA-N 432.471 5.166 30 20 IKED Sc1nnc(CSc2ccccc2)n1N=Cc1cc(Br)ccc1Cl 782246275 WONNRRAHMZHEPA-UHFFFAOYSA-N 439.791 5.157 30 20 IKED CSc1ccc(NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1Cl 784362022 MSGPMASEURWPTC-IBGZPJMESA-N 435.936 5.295 30 20 IKED N#C[C@@H](C(=O)NCc1ccc(F)cc1F)C(=O)c1sc2cc(Cl)ccc2c1Cl 786559515 HVYGJRUDHVTDJA-CYBMUJFWSA-N 439.270 5.125 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3cc(Br)cnc3Cl)c2)cc1 787956957 SDBPAUVMEAHEAZ-UHFFFAOYSA-N 442.700 5.200 30 20 IKED O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1ccc(C(F)(F)F)nc1Cl 794112501 VTQFCRSYTZSUIQ-UHFFFAOYSA-N 434.670 5.626 30 20 IKED N#C[C@H](C(=O)c1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1)C(=O)N1CCCC1 796632069 RAAQFWUJLWEPEP-CYBMUJFWSA-N 437.710 5.384 30 20 IKED CC(C)(C)OC(=O)NC[C@H](NCCCC1(C#N)CCOCC1)c1ccc2ccccc2c1 799153640 BGMVKDOZEWLFTE-QHCPKHFHSA-N 437.584 5.096 30 20 IKED CCCCN(Cc1ccccc1O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 801615758 PBJMBQNTXJWSHH-UHFFFAOYSA-N 443.547 5.871 30 20 IKED CC(C)(CCC#N)CNC(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F 807593700 XBCYNZJPMMBQJJ-NRFANRHFSA-N 447.501 5.281 30 20 IKED C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@H](C(C)(C)C)c2ccccc21 809920775 CKUHPNKZIHARPC-NRFANRHFSA-N 445.567 5.172 30 20 IKED CC[C@H](Cc1cccc(Br)c1)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813217591 NKKCAFVYDVANQF-CZUORRHYSA-N 425.248 5.308 30 20 IKED CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)Nc3ccc(C#N)cc3Cl)C2)C1 814671294 YGKUAGHQHUWTFI-QZTJIDSGSA-N 446.979 5.103 30 20 IKED CC(=O)N(c1ccc(NCc2cccc(OCc3cccc(C#N)c3)c2)cc1)[C@@H]1C[C@@H]1C 815163038 GXTCKSKIJJLISZ-UZTOHYMASA-N 425.532 5.511 30 20 IKED O=C([C@@H](F)c1ccc(C(F)(F)F)cc1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 857483580 CMGWYCOBPUYPNI-SJORKVTESA-N 435.339 5.335 30 20 IKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc2ccccc12 915725596 JLIFRBDVDFVFEL-NIYFSFCBSA-N 433.511 5.311 30 20 IKED C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc2ccccc12 915725598 JLIFRBDVDFVFEL-SIBVEZHUSA-N 433.511 5.311 30 20 IKED CCN(CC)c1ccc(C=Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c(O)c1 915980669 YHTDCFIAEHGGMB-UHFFFAOYSA-N 437.565 5.098 30 20 IKED FC(F)C(F)(F)COCc1cccc(NC(=S)Nc2cccc(C(F)(F)F)c2)c1 916027664 MJNSEJYEYFGAJK-UHFFFAOYSA-N 440.384 5.931 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2F)ccc1OCC(=O)Nc1ccccc1 916141872 SWZZUWHVYGSFAE-UKTHLTGXSA-N 449.478 5.147 30 20 IKED C=CCOc1ccc(C(=O)c2ccccc2)c(OC(=O)c2ccc(C(F)(F)F)cn2)c1 916876442 FPCFMKMEHHYXCQ-UHFFFAOYSA-N 427.378 5.115 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ncc(-c3ccc(C)cc3)o2)cc1 916914748 TXVAPXSQLXIHFL-JOCHJYFZSA-N 429.520 5.273 30 20 IKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2oc3c(ccc4ccccc43)c2C)cc1Cl 916938933 OWLVBRBFMLZGGL-SFHVURJKSA-N 432.863 5.518 30 20 IKED Cc1nc(-c2cccs2)sc1C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 916945006 PVPBNKIOCXPMLI-CYBMUJFWSA-N 436.345 5.448 30 20 IKED N#C[C@@H](C(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1nc2cc(C(F)(F)F)ccc2s1 917042579 GJEDIABPDSCUFE-FZMZJTMJSA-N 436.842 5.396 30 20 IKED C=CCN1C(=O)N[C@H](c2ccc(C)c(C)c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 917376717 NEOAWGJYFJWIOH-OAQYLSRUSA-N 443.469 5.487 30 20 IKED COc1ccc2cc(C(=O)/C=C\c3csc(N(C(C)=O)c4ccc(F)cc4)n3)ccc2c1 917561763 MXJGVPZDRWKYMT-WQLSENKSSA-N 446.503 6.025 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)s2)cc1 920102133 QBILYMTZWKRVDR-SFHVURJKSA-N 429.501 5.122 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3coc4cc5c(cc34)CCC5)n2)cc1 920143281 OLXFSMNRULBZJB-OAQYLSRUSA-N 428.513 5.473 30 20 IKED CCN(CC)[C@@H](CNC(=O)c1ccccc1SCC#N)c1ccc(C(F)(F)F)cc1 920856401 ZXBZFAHBVBEIBZ-IBGZPJMESA-N 435.515 5.134 30 20 IKED COC(=O)c1ccc(COc2ccc(/C=C3/Cc4c(Cl)cccc4C3=O)cc2OC)o1 921263949 LVTWRGOHTAUUNN-GDNBJRDFSA-N 438.863 5.130 30 20 IKED CCCCCc1ccc(CC(=O)NC2(c3ccc(NC(=O)CCC#N)cc3)CCC2)cc1 1787889439 KDPMIYZCNXKKFK-UHFFFAOYSA-N 431.580 5.400 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)ccc4[nH]3)CCC2)cc1)C(F)(F)F 1791303296 UACQWVABBAFXGW-UHFFFAOYSA-N 445.416 5.173 30 20 IKED Cc1csc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1815380397 HPMLMCDGKWTHST-UZLBHIALSA-N 447.564 5.026 30 20 IKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1 1821048253 AINGRNCJUUKBQU-QFIPXVFZSA-N 430.508 5.084 30 20 IKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(C)C)CC2)[nH]n1 1822583238 KMZLEFSDRBRNSS-ONTIZHBOSA-N 426.605 5.058 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCc2ccncc2)CC1 1829066200 UROVPEKUHCNZDF-DEOSSOPVSA-N 439.644 5.016 30 20 IKED Cc1cc(Cl)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)c1 1830016521 ITFKWDUALSLMAK-DEOSSOPVSA-N 449.982 5.067 30 20 IKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC2CCC(C)(C)CC2)CC1 1830422670 XGURODLWPMQCBW-GGAORHGYSA-N 436.706 5.167 30 20 IKED CCCCC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1 1831464374 BYRCKVVFEKNINJ-YADARESESA-N 441.591 5.147 30 20 IKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(C)ccc23)CC1 1832961763 MMBSVMBEOWAFIH-FOVHPINOSA-N 447.623 5.321 30 20 IKED Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2cn(CCC#N)nc2-c2ccccc2)cc1 57945584 YIKMFOJOJGEJNM-MHZLTWQESA-N 447.542 5.539 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C)c(OCc2cccnc2)c(C)c1 62898064 HCVUVOLSFDDDIV-UHFFFAOYSA-N 431.492 5.014 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CCCOc4ccc(F)cc43)c2)cc1 65447744 LWIFCWBQULQCKF-XMMPIXPASA-N 445.494 5.506 30 20 IKED N#Cc1ccccc1OCC(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2 247661034 SFLPIRYLDWDEMG-UHFFFAOYSA-N 428.517 5.059 30 20 IKED N#Cc1cc(Nc2cccc(C[S@@](=O)C3CCCCC3)c2)nc2ccc([N+](=O)[O-])cc12 302632707 GVIZGZYVRMVPLR-WJOKGBTCSA-N 434.521 5.340 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)Sc1ccnc2cc(Cl)ccc12 426269858 YBDKODLEHFVURC-GJZGRUSLSA-N 442.009 6.402 30 20 IKED C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1noc(-c2ccc(Cl)cc2)n1 431220017 ZHEDELNLRJKTLR-KGLIPLIRSA-N 441.944 5.667 30 20 IKED N#CCC[C@H](NC(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1)c1ccccc1 432114299 TXGOZIUCKCOYJM-RXVVDRJESA-N 426.358 5.068 30 20 IKED C=CCn1c(SCc2ncc(Br)s2)nnc1-c1cccc(Cl)c1 432542565 UYIUFXDZSNCGFM-UHFFFAOYSA-N 427.780 5.296 30 20 IKED CC(C)c1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nn1-c1ccccc1 435745254 LCIPFKWYTBWRCN-FQEVSTJZSA-N 437.528 5.481 30 20 IKED N#Cc1ccc(NC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1C(F)(F)F 438658649 WFSPJWBRQLZYPO-UHFFFAOYSA-N 448.832 5.783 30 20 IKED COc1cc([C@@H](C)NC(=O)N[C@H](CCC#N)c2ccccc2)ccc1OCc1ccncc1 438840516 NDMQMTIYGQZSPM-AUSIDOKSSA-N 444.535 5.074 30 20 IKED CCCc1c(NC(=O)c2cc(Br)ccc2Cl)cnn1-c1cccc(C#N)c1 440090530 HOXSLAHKBYTWQK-UHFFFAOYSA-N 443.732 5.365 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3cc(O)nc4ccccc34)cc2Cl)cc1 443687767 HXLGZWVQCBDIMK-UHFFFAOYSA-N 444.878 5.579 30 20 IKED N#CCCCn1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)c2ccccc21 444029478 IDZHYNAHDHFHPS-UHFFFAOYSA-N 440.478 5.589 30 20 IKED O=S(=O)(Cc1c(F)cccc1F)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444214001 ORTYFFPDXSAWEW-OAHLLOKOSA-N 447.347 5.097 30 20 IKED Cc1nc(C(F)(F)F)c(CN[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)s1 444743298 KWZPIXNLGLZMBQ-NSHDSACASA-N 436.343 6.272 30 20 IKED Cc1c(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cnn1C1CCCC1 444854548 SCUUOWNWYXHYOL-UHFFFAOYSA-N 429.524 5.596 30 20 IKED N#CCc1ccc(OCc2cccc(N3C(=O)[C@H]4C[C@@H](C5CCCCC5)CN4C3=O)c2)cc1 445907292 LPHMEZKVQBBGQN-RCZVLFRGSA-N 443.547 5.069 30 20 IKED C=CCN1C(=O)N(c2ccc(Oc3ccc(Cl)cn3)cc2)C(=O)[C@@H]1Cc1ccccc1 445996995 ZPTLQKYELQIBNL-NRFANRHFSA-N 433.895 5.093 30 20 IKED Cc1cc(C(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(C(F)(F)F)o1 446244500 OISCDLSHBSNMEQ-GFCCVEGCSA-N 433.270 6.049 30 20 IKED N#CCCCOc1cccc(CNC2(c3cccc(OC(F)(F)F)c3)CCOCC2)c1 446848820 URYOOOWZQWEAHC-UHFFFAOYSA-N 434.458 5.063 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1c1ccc(COC)o1 460374425 HXPJYCMBXZFTGN-PXNSSMCTSA-N 440.519 5.214 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)cc1 464960242 OBXLJIMPPWUCGC-PMERELPUSA-N 438.936 5.443 30 20 IKED Cc1csc([C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)n1 466092182 MOLLRWKYTYFZKR-PZJWPPBQSA-N 436.968 6.033 30 20 IKED C[C@@H](CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1cccc(C(F)(F)F)c1 470006775 UWMKQOYMNUBCEZ-INIZCTEOSA-N 439.437 5.688 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@H](CC3CCC3)c3ccccc3)ccc21 470538371 PPDRXJACIGAQNI-HSZRJFAPSA-N 430.552 5.323 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccccc2O[C@@H]2CCOC2)c1 470772339 JTMSOGHESYPUOZ-HXUWFJFHSA-N 434.879 5.424 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 472323966 VHONYSSUOFLSKM-UIOOFZCWSA-N 440.547 5.013 30 20 IKED C=C(C)Cn1c(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccncc1 481337741 CFFHKGCPPMXQBR-CQSZACIVSA-N 447.486 5.054 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cccc(Oc3ccncc3)c2)nnc1-c1ccco1 482159815 YRAIBUDDVZLVDF-UHFFFAOYSA-N 447.520 5.032 30 20 IKED Cc1ccc(-c2ncccc2NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)s1 482265817 IGEGIFPAIANFKT-UHFFFAOYSA-N 436.512 5.205 30 20 IKED C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 482382486 XJJRCYXULVEFDY-QFYYESIMSA-N 438.343 5.572 30 20 IKED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc2cc(Br)cnc12 486848684 WYQCLTKVSULUOV-UYAOXDASSA-N 435.325 5.301 30 20 IKED Cc1ccn(-c2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cc2)n1 487088722 AIWMBPRWXRKZAU-HSZRJFAPSA-N 426.907 5.742 30 20 IKED C[C@@H](N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)C(=O)N(CCC#N)c1ccccc1 488010649 WSUDXJBKHQKADR-KBMIEXCESA-N 433.502 5.174 30 20 IKED Cc1cc(C)n(Cc2ccc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2)n1 488184566 SHSZTRZVXRRINN-GOSISDBHSA-N 448.498 5.440 30 20 IKED C=CCn1c(S[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)nnc1-c1cccs1 489406262 OVKSNIVMYHTBRS-ZDUSSCGKSA-N 427.530 5.543 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)c1nnc(-c2ccc(C)cc2)o1 489650576 DVHIHQFGJBORAP-GOSISDBHSA-N 447.564 5.563 30 20 IKED N#C[C@H](C(=O)c1cnc(-c2ccsc2)s1)c1nc(-c2c(F)cccc2F)cs1 492080385 MSCVMBRAJXOZNY-LLVKDONJSA-N 429.498 5.763 30 20 IKED Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)Cc1noc(C)c1C#N 500635072 PEQDIRKUJFBAQH-UHFFFAOYSA-N 431.471 5.081 30 20 IKED C[C@H](CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(F)cc1F 503344276 LUDUIIHMLLPVCK-GFCCVEGCSA-N 430.505 5.113 30 20 IKED Cc1cc(NC(=O)[C@@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)nn1CCC#N 504097594 MVENRXLALRYFLM-FQEVSTJZSA-N 445.375 5.884 30 20 IKED C[C@H](NC(=O)Nc1ccc(F)cc1OCCC(F)(F)F)c1nc(C(F)(F)F)cs1 505834991 YVUKXGDAEUCAJL-QMMMGPOBSA-N 445.360 5.515 30 20 IKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CN(C)Cc2cccc(C#N)c2)c1 507216398 XXCXYFCJVXLPEW-UHFFFAOYSA-N 438.531 5.060 30 20 IKED CN(C)[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 510007562 YLLQWJSZRNUDOQ-LADGPHEKSA-N 432.955 5.420 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(CCc2ccccc2)CC1 510873696 UYQQHXGYHZIECD-UHFFFAOYSA-N 440.547 5.051 30 20 IKED CN(Cc1cccc(OC(F)(F)F)c1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 511553388 JGLYPZSYDDLYRW-INIZCTEOSA-N 438.343 5.559 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N(Cc3ccc(F)cc3F)C3CCCC3)CC2)c(F)c1 511701423 QENRTXODUZMZMS-UHFFFAOYSA-N 441.497 5.163 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cc1Cl 512192762 CBBUZJUKNGOVNZ-HSZRJFAPSA-N 448.925 5.821 30 20 IKED CC(C)c1nc(-c2ccccc2NC(=O)c2cccc(OCc3ccccc3C#N)c2)n[nH]1 512582132 LSKHQVRSAQLUQN-UHFFFAOYSA-N 437.503 5.298 30 20 IKED N#C[C@@H](NC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1cccc(C(F)(F)F)c1 518320389 JCLXEFIIRVMWRG-QGZVFWFLSA-N 439.224 5.193 30 20 IKED CC(=O)Nc1cc(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)ccc1F 518516773 XPYFDLVHSIMOKV-XHBUVVKHSA-N 437.540 5.198 30 20 IKED COc1cc(F)cc2sc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)nc12 518849987 JRMVDDMAPLBHFF-UHFFFAOYSA-N 449.511 5.090 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)cc1 519914120 HPHMKAXYEDIHMP-QGZVFWFLSA-N 445.485 5.745 30 20 IKED Cc1ccc(-n2nc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c3c2CCCC3)cc1 520827545 LJHKIYYVNMUYTA-GOSISDBHSA-N 430.577 5.564 30 20 IKED C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)CCC(=O)N(CCC#N)c1ccccc1 521788823 SYPAEDUUKDOSOO-MRXNPFEDSA-N 432.351 5.240 30 20 IKED COc1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c(Br)c1 522314569 JJRYXPOTRXUQCL-UHFFFAOYSA-N 437.293 5.161 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCC2(c3ccccc3)CCOCC2)c1 523876993 BDUIRWCCPZBZNU-UHFFFAOYSA-N 446.934 5.482 30 20 IKED O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)N(CCC(F)(F)F)CC1CC1 540115046 VFAYFEDYCKNJQG-UHFFFAOYSA-N 444.326 5.413 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccccc1)CC(C)(C)O 540547316 YBBPHWMFPHHPCE-UHFFFAOYSA-N 429.520 5.464 30 20 IKED Cc1nn(C(C)(C)C)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 541352919 FKNXUTJCMZHGJO-AWEZNQCLSA-N 433.364 5.867 30 20 IKED CN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 542589751 GOJWZHVORHPPSC-BVAGGSTKSA-N 444.506 5.676 30 20 IKED Cc1oc(-c2cccs2)nc1CC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542928131 PHJPOMJRSDZTJT-MRXNPFEDSA-N 427.529 5.670 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 543880204 GXKSJNWLABZIHS-LSDHHAIUSA-N 437.491 5.165 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccccc1OCc1cccc(Cl)c1 554476320 CIADDNBIKOXATR-UHFFFAOYSA-N 440.927 5.615 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@H](CC(F)(F)F)C1 558982651 XAKPAIDYINXJAB-DLBZAZTESA-N 438.494 5.172 30 20 IKED CC(=O)Nc1cc(C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F 560157718 ZZVLRSGFFWCNCS-UHFFFAOYSA-N 436.327 5.094 30 20 IKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC(c4noc5cc(F)ccc45)CC3)c2)cc1 569866196 BYDUCELPIBCYQK-UHFFFAOYSA-N 441.462 5.651 30 20 IKED N#Cc1ccc(C(F)(F)F)c(NCc2cccc(-c3nc(CC(F)(F)F)no3)c2)c1 572808517 MTDQUYICGPECEX-UHFFFAOYSA-N 426.320 5.344 30 20 IKED CC(C)(Cc1nc(-c2ccc(C(F)(F)F)nc2OCC(F)(F)F)no1)C(F)(F)F 577025993 YPXLDFOLGYXOPV-UHFFFAOYSA-N 437.262 5.223 30 20 IKED O=C(Nc1ccc(F)cc1C(F)(F)F)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 578260533 BPPKRJNVWUICSY-LBPRGKRZSA-N 440.319 5.091 30 20 IKED CCC(CC)[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1cccs1 584381455 YKZRJDMVODRLRJ-JOCHJYFZSA-N 448.548 5.039 30 20 IKED CC1(C(=O)N2CCc3ccc(Cl)cc3C2)CCN(c2ccc(Cl)cc2C#N)CC1 587987914 WALAFKIZLRUBOF-UHFFFAOYSA-N 428.363 5.056 30 20 IKED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 588263964 WHGQMSATNXJIQY-UHFFFAOYSA-N 436.533 5.103 30 20 IKED O=C(c1csc(Cc2ccc(F)cc2)n1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 588793025 WKGNSHQNRXUCAU-VXGBXAGGSA-N 440.384 5.076 30 20 IKED C=CCn1c(SCc2csc(-c3ccccc3F)n2)nnc1-c1ccccc1F 590450209 MDUBMOQXHJRWDJ-UHFFFAOYSA-N 426.517 5.825 30 20 IKED Cc1cc(-c2cc(C(=O)N[C@H](C#N)c3ccc(F)cc3)c3cnn(C(C)C)c3n2)c(C)o1 590639367 ZQQNIJYBRKIJTN-JOCHJYFZSA-N 431.471 5.023 30 20 IKED N#C[C@@H](C(=O)c1ccc(-c2nc3ccccc3s2)s1)c1nc2cc(F)ccc2s1 592975704 KWHLGYKXFJNQKI-LBPRGKRZSA-N 435.530 6.264 30 20 IKED CCOc1ccc([C@H](C)NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1OC 603637996 XCYMZPOYUQSEDQ-SFHVURJKSA-N 430.504 5.036 30 20 IKED Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1NC(=O)c1ccccc1F 603638047 HLISPQUOYUDNOQ-UHFFFAOYSA-N 443.522 5.557 30 20 IKED C[C@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C2CC2)o1 603689991 WJEYXUKXVCDKQL-AOMKIAJQSA-N 428.492 5.658 30 20 IKED CC(C)Cn1c(S[C@H](C#N)Cc2ccccc2)nc2ccc(Br)cc2c1=O 604071517 DQZRURRRXBNRAZ-KRWDZBQOSA-N 442.382 5.042 30 20 IKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N[C@@H](C#N)c1ccc(F)cc1 604075422 SJEDNOSLJRHYAS-KRWDZBQOSA-N 445.878 5.235 30 20 IKED Cc1cc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1C(F)(F)F 608334253 WPVPECXYDOIPJQ-UWVGGRQHSA-N 436.318 6.045 30 20 IKED CCc1c(C)sc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)c1C#N 609033519 ZSNLTDFYWXCRQC-UHFFFAOYSA-N 446.001 5.153 30 20 IKED CCCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)[C@@H](c1cccnc1)c1ccc(F)cc1F 609491509 SBVBJZPDWBATBV-OSPHWJPCSA-N 435.474 5.027 30 20 IKED N#Cc1cccc(OCCCCC(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)c1 609500776 WQAFYWFEJYHJHE-UHFFFAOYSA-N 439.943 5.026 30 20 IKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cc3csc(-c4ccoc4)n3)c2C#N)C1 609966149 LKHCDTLQVXCMIF-CQSZACIVSA-N 425.579 5.668 30 20 IKED Cc1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1NC(=O)NC(C)(C)C 610129964 LWVXKFUZRRHQSA-QGZVFWFLSA-N 433.339 5.217 30 20 IKED C[C@H](NC(=O)c1cccnc1Oc1ccc(F)cc1Br)c1cccc(C#N)c1 610361548 GWFGPEBKBNISDC-ZDUSSCGKSA-N 440.272 5.138 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)o1 610860940 LVWRFOHXWKVBHA-CYBMUJFWSA-N 428.514 5.001 30 20 IKED N#Cc1cc(Cl)c(C(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)c(Cl)c1 611681928 YNPCQPKNLGYVSX-MRXNPFEDSA-N 429.225 5.098 30 20 IKED COc1ccc(CN(C)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(OC)c1 611854276 MMANOKCVHNECND-GOSISDBHSA-N 429.520 5.145 30 20 IKED Cc1ccc2nc(COc3ccccc3C(=O)[C@@H](C#N)c3ccc4ccccc4n3)cn2c1 613292483 LLTAYYFDKFKJDX-QFIPXVFZSA-N 432.483 5.260 30 20 IKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1OC 613392726 YQXUAUSMMXJIRJ-MRXNPFEDSA-N 426.925 5.751 30 20 IKED N#C[C@H](C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1nc2cc(Cl)ccc2s1 613403448 PSBBEDXZJZYLOJ-GOSISDBHSA-N 431.904 5.692 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C)c2C)nnc1-c1ccc(Cl)cc1 617893751 HFBLQTQTARGPFY-MRXNPFEDSA-N 426.973 5.521 30 20 IKED O=C(c1cc2ccc(OC(F)(F)F)cc2[nH]1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618365590 GOYAIESZMDEBDW-NXEZZACHSA-N 448.285 5.269 30 20 IKED O=C(Nc1ccccc1CCC(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 674986970 ALKYBUILFRHHBR-VXGBXAGGSA-N 436.318 5.776 30 20 IKED Cc1c(C(=O)NC[C@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)oc2c(F)cccc12 728971239 BELGVFCGAVICAQ-SFHVURJKSA-N 449.322 5.079 30 20 IKED N#C[C@H](C(=O)[C@H]1C[C@@H]1c1cccc2ccccc12)c1nc(O)c2c3c(sc2n1)CCCC3 730918212 WPFQCPSVOGOACG-HSALFYBXSA-N 439.540 5.409 30 20 IKED Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(C)c1 732380126 OHPKFYBXPVQSED-FQEVSTJZSA-N 442.515 5.654 30 20 IKED C#CCN(C(=S)Nc1ccc2c(c1)CCC2)[C@@H]1CCOc2ccc(Br)cc21 733085836 FYMLOWANFCIIIS-HXUWFJFHSA-N 441.394 5.094 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)c1 733771001 PBOPXPXBKDBLNS-HSZRJFAPSA-N 449.554 5.750 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)c1 733803458 XPMQEFZXMWSJHC-GHTZIAJQSA-N 448.592 5.668 30 20 IKED Cc1cc(C(=O)COC(=O)c2ccc(C#N)nc2)c(C)n1C(c1ccccc1)c1ccccc1 734601053 MLNXIJSYNISYED-UHFFFAOYSA-N 449.510 5.049 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2cccc(CSC3CCOCC3)c2)cc1OC 734803307 YJIWGFZBQLEBMJ-CSKARUKUSA-N 439.577 5.324 30 20 IKED N#Cc1ccc(Nc2cccc(C(=O)N3CCC([C@H](O)c4ccc(F)cc4)CC3)c2)cc1 737857065 JOPXKYHOWSDFON-RUZDIDTESA-N 429.495 5.027 30 20 IKED C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1 743028771 UVHRVBAXRLYTSI-CYBMUJFWSA-N 430.961 5.606 30 20 IKED CC(C)c1csc([C@H](C#N)C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)n1 747194413 ZPHAZFZPGWBYPE-NVXWUHKLSA-N 436.364 5.054 30 20 IKED C=C[C@H](CC(=O)O[C@@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)c1ccccc1 758913367 RKYUYXJKIFBOGL-ZWKOTPCHSA-N 448.544 5.231 30 20 IKED C[C@@H](C[C@@H](O)c1ccco1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 759491220 KYJXPBGLGRAXDU-IFXJQAMLSA-N 425.872 5.231 30 20 IKED CSc1nc(C2CC2)cc(C(=O)OCc2nc3cc(C(F)(F)F)ccc3o2)c1C#N 767276272 QEIJGYZCWPNQAL-UHFFFAOYSA-N 433.411 5.070 30 20 IKED COc1ccc2cc([C@H](C)C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)ccc2c1 770848712 YIDCYCUTLVMGTP-DJJJIMSYSA-N 441.314 5.606 30 20 IKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccccc1O[C@H](C)C#N 780148390 LSEVYLGHXKYNDH-CYBMUJFWSA-N 427.913 5.227 30 20 IKED N#C[C@@H](C(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1)c1ccc2ccccc2n1 780302610 PUJQHSJZBCQVNG-RCZVLFRGSA-N 435.483 5.079 30 20 IKED COc1cc([C@@H](C)NC(=O)Nc2ccccc2O[C@H](C)C#N)ccc1OCCC(C)C 780670262 JZABUGFURORGDS-QZTJIDSGSA-N 425.529 5.294 30 20 IKED Cc1c(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cccc1N1CCOC1=O 782582330 VBFVRHKJIZWLPH-GOSISDBHSA-N 440.503 5.373 30 20 IKED CCSCc1cccc(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 784978486 QCROCOCGRPJCLL-HSZRJFAPSA-N 429.545 5.172 30 20 IKED C[C@@H](NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccccc2)ns1)c1ccc(Cl)cc1Cl 787052081 XKCXVITZLKNDRZ-MLGOLLRUSA-N 444.343 5.317 30 20 IKED CCc1c(NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cnn1C(CC)CC 792418520 KYDBVZCKGNZFAB-JOCHJYFZSA-N 443.551 5.039 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(C(=O)Nc3ccccc3SCCC#N)ccc21 793468060 YAMGUJWDSVLLIJ-UHFFFAOYSA-N 437.565 5.632 30 20 IKED C=CCn1c(-c2ccncc2)nn(CN2CCC([C@@H](F)c3ccccc3F)CC2)c1=S 795659242 SLHDISILLWIPGO-OAQYLSRUSA-N 441.551 5.181 30 20 IKED N#Cc1sc(Sc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)nc1Cl 804558807 LJMYISCLOIPGGH-UHFFFAOYSA-N 431.333 5.115 30 20 IKED C#C[C@H](NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)c1ccc(Cl)cc1 811962934 CWCUJJGREPASCL-HIFRSBDPSA-N 427.879 5.079 30 20 IKED CC(C)(C)OC(=O)NCCC[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccccc1 811969815 KSEPVUAHLWUVBS-JOCHJYFZSA-N 433.552 5.018 30 20 IKED CC(=NNc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2ccccc2Br)s1 914836518 PVJHMWAETWPKLB-UHFFFAOYSA-N 449.395 5.417 30 20 IKED Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc12 915085082 FSRPDUGYUVNKLD-SANMLTNESA-N 443.510 5.637 30 20 IKED CCc1ccc(-c2nc(CC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cs2)cc1 915179737 HKKATEYERYHIAF-VWLOTQADSA-N 437.568 6.209 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(NC(=O)c3ccco3)cc2C)cc1 916914771 UONMHTOWSAOXNQ-SFHVURJKSA-N 449.532 5.206 30 20 IKED N#C[C@@H](C(=O)CSc1cccc2cccc(Cl)c12)c1nc2ccccc2n1C(F)F 917039888 HDUAQHQHOWSVEQ-AWEZNQCLSA-N 441.890 6.207 30 20 IKED CC(C)(C)N(N=Cc1ccc(C(=O)NC2CC2)cc1)C(=S)Nc1cccc(Cl)c1 920385215 OEQNQHFKSZUMMJ-UHFFFAOYSA-N 428.989 5.064 30 20 IKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCC4CCC4)cc3)CCC2)c1 1786263089 GZXDEJNIDBMBIM-LJQANCHMSA-N 429.564 5.642 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)COC4)CCC2)cc1 1789454231 TYDGMNWYPSFUQM-DEOSSOPVSA-N 430.548 5.233 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cnc(C)s3)CCC2)cc1 1789625515 HLFCYQJOHGNZEV-VAWYXSNFSA-N 437.609 5.591 30 20 IKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)CCc3cnc4ccccc4c3)CCC2)cc1 1791581150 XILLCAWVPTVWGO-UHFFFAOYSA-N 439.559 5.105 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1791730278 XLFOCAHJLXTPLE-FQEVSTJZSA-N 427.548 5.255 30 20 IKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CC[C@H](C(F)(F)F)CC4)CCC3)cc2)CCC1 1792233983 DCSNIGFVBRBCOC-SAABIXHNSA-N 447.501 5.183 30 20 IKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccccc1C)C2 1792571924 PNEFSHSNVKOVJF-KOUNCHBCSA-N 445.607 5.301 30 20 IKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccccc3o2)[nH]n1 1819554627 LGSHUQQICUKNAO-IBGZPJMESA-N 434.540 5.454 30 20 IKED CC(C)(C)CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(C#N)CCC2)n[nH]1 1823380590 ICLCVCMZFZLVEQ-LJQANCHMSA-N 427.593 5.092 30 20 IKED COc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2cccc(O)c2)cc1 11159938 HECOUFDWHQMIAD-UHFFFAOYSA-O 448.351 5.046 30 20 IKED CC(C)c1ccc(Nc2nnc(SC[C@H](O)COc3ccc(CC#N)cc3)s2)cc1 15233542 JYZLKVKGAMZPPT-LJQANCHMSA-N 440.594 5.003 30 20 IKED C=CCN(Cc1cccs1)C(=O)CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O 21930421 LIPBFUKMSSFJIR-UHFFFAOYSA-N 449.601 5.100 30 20 IKED O/C(=N\c1nnc(C(F)(F)F)s1)c1ccc(-c2ccc(Br)cc2)s1 31286035 GCYXAKQRJHCPCK-UHFFFAOYSA-N 434.262 5.684 30 20 IKED C=CCn1c(SCC(=O)N(C)[C@H]2CCCc3ccccc32)nnc1-c1cccc(C)c1 32563868 QYMVGTQVVXPDMM-QFIPXVFZSA-N 432.593 5.068 30 20 IKED N#CCCn1cc(C(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)c2ccccc21 104555790 UHLAQLHXTDYJJP-UHFFFAOYSA-N 440.883 5.602 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](Oc1ccccc1)c1ccccc1 107805406 RTHKLCIBFDXBIL-RUZDIDTESA-N 435.483 5.813 30 20 IKED CC(C)(C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1csc(-c2cccs2)n1 409963731 OGQBVBMWNPLIMP-UHFFFAOYSA-N 437.590 5.091 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2CCOC3(CCCCC3)C2)cc1 426515213 HMXDHIIXYJQBHJ-XMMPIXPASA-N 435.543 5.291 30 20 IKED CC(=O)Nc1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 428341647 PNQRCFLPUSRSGI-CYBMUJFWSA-N 429.973 5.635 30 20 IKED CCOc1ccccc1Oc1ccc(CNC(=O)N[C@H](CCC#N)c2ccccc2)cn1 429072206 VHUUDRMOYUWSRV-OAQYLSRUSA-N 430.508 5.117 30 20 IKED N#CCSc1cccc(C(=O)Nc2cc3c(cc2Sc2ccccc2)OCCO3)c1 429790294 VUPIXOUUCXVJDW-UHFFFAOYSA-N 434.542 5.477 30 20 IKED CC1(C)CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@@H]1c1ccncc1 432791670 HKAHAEPPBAFLEA-HSZRJFAPSA-N 430.483 5.286 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1F 437485446 RGTRSAMIXWFPRA-NRFANRHFSA-N 432.451 5.300 30 20 IKED CN1CCC[C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[C@H]1c1cccs1 438225849 ULDUNMLRMIUETB-DVECYGJZSA-N 446.576 5.617 30 20 IKED C=CCNC(=O)c1ccc(NC(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)cc1 439360537 QPSBHDRUKSVPBJ-UHFFFAOYSA-N 449.448 5.114 30 20 IKED COc1ccc(CC[C@@H]2CCCCN2C(=O)N[C@@H](CCC#N)c2ccccc2)cc1OC 440248335 WKXPQFQWEPAIAQ-GOTSBHOMSA-N 435.568 5.246 30 20 IKED CC[C@@H](C)[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(Cl)cc1 442122805 JJADVVFOPLBXBE-KZULUSFZSA-N 437.849 5.073 30 20 IKED COc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc(OC)c1OC(F)F 442673315 TYNZWCNFFXWJAZ-NSHDSACASA-N 438.839 5.058 30 20 IKED Cc1ncsc1-c1nc2ccccc2n1CC(=O)Nc1sc2c(c1C#N)CCCCC2 443815616 KCZWXBXXFNCTKB-UHFFFAOYSA-N 447.589 5.309 30 20 IKED N#Cc1ccccc1Oc1ccc(N2C(=O)[C@H](Cc3ccccc3)N(C3CC3)C2=O)cc1F 446153186 FYISTVNJPGBOSV-QFIPXVFZSA-N 441.462 5.032 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 448207214 XGKRDYPRVHLSNM-JPYJTQIMSA-N 435.955 5.093 30 20 IKED C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@H]1c1ccc(COC)o1 460775419 FYECTIKDNAMLTI-NRFANRHFSA-N 436.556 5.077 30 20 IKED N#Cc1cc(N[C@@H]2CSc3ccccc32)cc(N[C@H]2CSc3ccccc32)c1[N+](=O)[O-] 462877123 XVMOBHXKXCXNRH-UXHICEINSA-N 446.557 5.984 30 20 IKED COc1ccc(-c2noc(CNc3ccc(Oc4ccccc4C#N)c(F)c3)n2)c(OC)c1 463224821 GYZJAXPCCSNFSC-UHFFFAOYSA-N 446.438 5.169 30 20 IKED C[C@H]1CCCN(c2cc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)ccn2)C1 464192440 UHWXJZYTVOYSGJ-HOCLYGCPSA-N 438.503 5.210 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N(CCC(F)(F)F)CC(F)(F)F)c2)c1 468540495 HCSQWBNGMZPRDO-UHFFFAOYSA-N 430.348 5.094 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 469662293 LXYZLGNCFWAAKS-UZLBHIALSA-N 447.526 6.716 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(OC4CCCCC4)cc3)ccc21 469969732 RHJANJFLJZXAQY-UHFFFAOYSA-N 431.536 5.233 30 20 IKED CCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@@H](c1cccnc1)c1csc2ccccc12 475901931 SUQIDXZFFFVLFK-IDISGSTGSA-N 439.584 6.322 30 20 IKED Cc1c(COC(C)(C)C)cccc1NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 475965421 NCOWULUQBMTXGZ-HXUWFJFHSA-N 438.547 5.111 30 20 IKED CCCCc1ccc([C@H](NC(=O)N2CCC(C#N)(COC)CC2)c2cccs2)cc1 476907280 ZUAWFSHWTNVKTF-QFIPXVFZSA-N 425.598 5.142 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)Nc1ccccc1SC[C@H](C)C#N 477590769 TUIGUKOGHSZMCO-CHWSQXEVSA-N 439.507 5.197 30 20 IKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)Nc1ccccc1SC[C@@H](C)C#N 477590771 TUIGUKOGHSZMCO-QWHCGFSZSA-N 439.507 5.197 30 20 IKED CC(=O)Nc1cc(O[C@H](C)c2ccc(C#N)cc2)c(Br)cc1Br 478817969 AADZNGYSPBUFLJ-SNVBAGLBSA-N 438.119 5.182 30 20 IKED Cn1c(SCc2ccc(Cl)cc2C#N)nnc1SCc1ccc(Cl)cc1C#N 479217795 AOSVEECQYCMLOQ-UHFFFAOYSA-N 446.388 5.450 30 20 IKED CO[C@H](C)CN(C)C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 481436440 FJXWUXJKLOVXQR-PRHODGIISA-N 440.306 5.004 30 20 IKED C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1nc2ccccc2[nH]1 481692403 XVPOWAFBFPOMDN-OAHLLOKOSA-N 429.455 5.035 30 20 IKED C=CCN(C(=O)c1ccc2nccn2c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 481934587 ZDHPLIFLUGHEDJ-UHFFFAOYSA-N 429.332 5.597 30 20 IKED N#Cc1ccc2c(c1)CCCC[C@@H]2Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 481989192 FMYHXPLZSPXMIT-SANMLTNESA-N 430.573 5.553 30 20 IKED N#Cc1ccc(CN(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)C2CC2)cc1 482317939 YFIVXYWBHOZNOP-GOSISDBHSA-N 441.375 5.555 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2ccc(Cl)c3ccncc23)nnc1-c1ccco1 490645398 PTVGWKQZQGAQPC-UHFFFAOYSA-N 439.928 5.047 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](Cc1ccccc1)c1cccs1 493705714 JXPLOGDYAGWYOS-YLJYHZDGSA-N 449.601 5.039 30 20 IKED Cc1csc([C@H](C#N)C(=O)c2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)n1 496190023 QXNRDDBNOSEIGA-OAQYLSRUSA-N 427.485 5.921 30 20 IKED C=CCOc1ccc(C(=O)N(CC)[C@H](c2ccc(CC)cc2)c2cccnc2)cc1OC 496467744 JQFAARMUVUHARQ-AREMUKBSSA-N 430.548 5.469 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cnn(CC(C)C)c1C1CC1 497647671 UCTBMJLHJJKLRF-UHFFFAOYSA-N 449.368 5.538 30 20 IKED C=CCc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc(OC)c1OC 500734717 WRDTYLHMDQEFSI-UHFFFAOYSA-N 428.488 5.657 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)c1 502411165 VBARHZOXDLZAQE-UHFFFAOYSA-N 440.503 5.216 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCc2ccc(F)cc2Cl)cc1 502632540 ICEDUSPBUNQTDC-UHFFFAOYSA-N 437.902 5.488 30 20 IKED CC1CCN(C2CCC(NC(=O)c3ccccc3Sc3ccccc3C#N)CC2)CC1 503565451 PIEJZITWWWKEJA-UHFFFAOYSA-N 433.621 5.482 30 20 IKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 505313681 IAVGBXQOTIZIKE-GOSISDBHSA-N 447.753 5.503 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1c1cccc(Br)c1 507790576 YEIXZSVKVAEPBJ-IBGZPJMESA-N 428.330 5.477 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCN(c3ccccc3)C2)cc1Cl 510042560 HGHUBOMKIBLQKI-YADARESESA-N 444.966 5.643 30 20 IKED C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)N(C)Cc1nc2ccccc2s1 510203842 PGFVCEKGOSNMCZ-INIZCTEOSA-N 444.585 5.369 30 20 IKED C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCC(Oc2ccc(C#N)cc2F)CC1 512801431 LNHFJISXOCWHCR-AWEZNQCLSA-N 426.879 5.005 30 20 IKED C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccccc1 514878073 NXEZFWIPUDMGJK-GOSISDBHSA-N 435.959 5.250 30 20 IKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 515539017 CIWRXMPPMMMCOW-AWEZNQCLSA-N 427.913 6.011 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 515689515 HZQZCOYTYOLOGF-UHFFFAOYSA-N 432.505 5.050 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(OCC(F)(F)F)cc1 517656160 UCDWOPZBXIKCJA-OAHLLOKOSA-N 441.409 5.178 30 20 IKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OC4CCCC4)c(OC)c3)n2)cc1 518516577 LDKPOHWCGRWRKP-FQEVSTJZSA-N 448.544 5.639 30 20 IKED COc1cc(CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C2CC2)ccc1O 518723515 DMWMQCONAICHEU-UHFFFAOYSA-N 443.503 5.570 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc3cccnc23)cc1Cl 520135031 KPLCTYBLIXNLAX-JOCHJYFZSA-N 426.907 5.865 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(Cl)c2cccnc12 520832715 PFGJWFXCHPMRQO-OAHLLOKOSA-N 442.009 6.154 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1nc(C)c(-c2ccccc2)o1 521598503 BCLMWOCPRHHVCP-UHFFFAOYSA-N 437.499 6.194 30 20 IKED CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 522539232 PGSPWRGGLXOBNT-JGCGQSQUSA-N 446.572 5.844 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCCN(c2ccccc2)CC1 524438842 XOJZLGUUMNNHMH-UHFFFAOYSA-N 440.547 5.190 30 20 IKED CCOc1ccc([C@@H](C)NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1OC 524492112 CUXQYZWGFNBMRV-GOSISDBHSA-N 430.504 5.036 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)[C@H](C)Oc2ccc(C#N)cc2)nc1-c1ccccc1 524815563 DCVFXVWBEQDVPG-PGRDOPGGSA-N 429.520 5.468 30 20 IKED Cc1ccc(Sc2ccc(NC(=O)C3CCN(c4oc(C)nc4C#N)CC3)cc2)c(C)c1 527215863 VCLMCGLJZGUOPQ-UHFFFAOYSA-N 446.576 5.478 30 20 IKED Cc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cs2)n1C 534661032 WWCYZIFTUFQXPY-GFCCVEGCSA-N 440.500 5.349 30 20 IKED Cc1ccc(C(=O)C2CCN(Cc3cn(CCC#N)nc3-c3ccccc3)CC2)c(C)c1 535073033 KFMCCICHVUZLCK-UHFFFAOYSA-N 426.564 5.176 30 20 IKED C[C@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 537927212 YJDWNGJXXHQGCR-OAQYLSRUSA-N 443.547 5.137 30 20 IKED CC(C)(C)[S@](=O)Cc1cccc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1 538050317 OVQXYTOJBKZWHC-JGCGQSQUSA-N 445.588 5.594 30 20 IKED N#CCCCOc1cccc(NC2CCN(Cc3ccccc3Br)CC2)c1 538528260 YIZGZCIXNNKZMH-UHFFFAOYSA-N 428.374 5.208 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)N(c3cccc(F)c3)C3CCOCC3)cc2)cc1 538566810 YEYCZXWYCXPXTL-UHFFFAOYSA-N 430.479 5.510 30 20 IKED N#Cc1ccc(-c2nnc(CN[C@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)o2)cc1 539422678 BIOFJGWNBQUHRF-MRXNPFEDSA-N 426.320 5.020 30 20 IKED Cc1nc(-c2ccc([C@H](C)N[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)cc2)cs1 540381841 XPIJILBQVIPXCB-UONOGXRCSA-N 436.606 5.218 30 20 IKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542090915 QRDWRWPIOUQDFI-HXUWFJFHSA-N 438.531 5.016 30 20 IKED C[C@@H]1C[C@H](c2cccnc2)N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 543564097 RNGLFXMGIVELDX-KBMIEXCESA-N 426.520 5.342 30 20 IKED COc1ccc2ccccc2c1-c1cc(CNc2ccn(-c3ccc(C#N)cc3F)n2)on1 543862920 XLPGTRWFLLYGKT-UHFFFAOYSA-N 439.450 5.312 30 20 IKED COCCCOc1cc(C)ccc1-c1noc(/C=C\c2cn(CCC#N)c3ccccc23)n1 547176036 UXXZKCDNZLHCKZ-BENRWUELSA-N 442.519 5.499 30 20 IKED Cc1sc(C2(NS(=O)(=O)CC3(C#N)CCCCC3)CCC2)nc1-c1ccccc1F 549633758 AYTBWUBLRCEEHA-UHFFFAOYSA-N 447.601 5.030 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@]2(CCCOC2)C1 549685236 HJXOMIAMTLUIKP-FDDCHVKYSA-N 430.980 5.045 30 20 IKED N#CCCC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1)c1ccccc1 551595298 AETKZWAWFFGENH-HSZRJFAPSA-N 447.922 5.622 30 20 IKED COc1cc(CN[C@H](CCO)c2ccc(Cl)cc2)ccc1OCc1cccc(C#N)c1 558143302 OBDFUMHKUHARBV-HSZRJFAPSA-N 436.939 5.013 30 20 IKED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1 560701967 OMJFOMNWKYSGQB-SCLBCKFNSA-N 439.408 5.492 30 20 IKED N#Cc1csc(CNCc2ccc(OCCCOc3ccc(Cl)cc3Cl)cc2)n1 573253324 ILWCYLQQDLRSPW-UHFFFAOYSA-N 448.375 5.459 30 20 IKED N#Cc1ccc(C[C@@H](C#N)c2nc(-c3cc(Cl)ccc3OCC(F)(F)F)no2)cc1 579160809 QBPAXCJPHNOSHT-AWEZNQCLSA-N 432.789 5.053 30 20 IKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ncc(C#N)cc1C 583453928 NQPWUMRZZHJPPA-UHFFFAOYSA-N 438.409 5.094 30 20 IKED Cc1cccc(OC(F)F)c1NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 598198589 YUCSEZIKBJFSJZ-URLYPYJESA-N 434.327 5.627 30 20 IKED C/C=C\c1ccc(OCC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c(OC)c1 603638604 OEHPWJBKYZACST-UTCJRWHESA-N 428.488 5.196 30 20 IKED CC(C)c1cccc(C(C)C)c1NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 603643655 AMYVCKRFYGBFOW-UHFFFAOYSA-N 444.583 5.327 30 20 IKED C[C@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1nc2ccccc2n1C(F)F 605011558 QNHZMAVQJXALLK-VIFPVBQESA-N 444.326 5.019 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)C[C@H]1CCCO[C@H]1c1ccccc1 606841219 RYYCEFUIPSBHGL-GCJKJVERSA-N 433.470 5.510 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn(-c2ccccc2F)c1C 609061148 KIUYTNWCMLKXSP-UHFFFAOYSA-N 440.478 5.331 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)c2oc3ccccc3c2COc2ccccc2)c1 609068148 KLFBJUUWHDAGJK-UHFFFAOYSA-N 434.398 5.737 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cccc(N3CCCCC3=O)c2)cc1 609297817 HHQUIMKUPDOWLR-UHFFFAOYSA-N 429.451 5.259 30 20 IKED COc1ccccc1-c1nc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)n[nH]1 609730829 BXPIJEPBWDZDFF-UHFFFAOYSA-N 445.866 5.050 30 20 IKED CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 609902496 BODOLISMLMUSJZ-XOBRGWDASA-N 440.956 5.157 30 20 IKED CC[C@H](c1ccc(F)cc1)[S@@](=O)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 610012086 DMSDHLYVYOHEKN-NJHZRGNWSA-N 437.536 5.685 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(O)nc2cc(F)ccc12 610044383 NWQJLSXLHUFENK-UHFFFAOYSA-N 435.402 5.356 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)NCc2ccc(C#N)cc2F)nc1-c1ccccc1 610500106 DNYVMTWULLBJSP-OAQYLSRUSA-N 432.499 5.522 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H](Oc4ccccc4Cl)C3)cn2)c1 611041768 YQAWREIBXMJUOL-IBGZPJMESA-N 434.883 5.084 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2ccc(Oc3ccnc4ccccc34)cc2)c(Cl)c1 611094516 MIEKDJBLYKZQDV-UHFFFAOYSA-N 434.282 6.458 30 20 IKED COc1cccc([C@H]2C[C@H](C)CN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1 612298657 FCTMXGSZHBWFBP-GAJHUEQPSA-N 428.492 5.369 30 20 IKED N#C[C@H](C(=O)c1ccc(COc2ccccc2Br)cc1)c1nc2ccccc2o1 614439828 MKDCIUIAXQMONW-QGZVFWFLSA-N 447.288 5.659 30 20 IKED O=C(NCCc1ccc(C(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618499407 SKQYOBBADQGSEF-STQMWFEESA-N 436.318 5.020 30 20 IKED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1 642452780 PBNFVNLIEUCTAE-UHFFFAOYSA-N 429.520 5.558 30 20 IKED O=C(Nc1cccc(C#Cc2cccs2)c1)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 672624244 SJDCRXGVIHJRJP-PZJWPPBQSA-N 434.586 5.181 30 20 IKED O=C(CCCc1cccc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 681132458 NQNXZERNLNLTRL-KBPBESRZSA-N 435.330 5.617 30 20 IKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 684253748 RRPREBQFTYRXID-RZLSGREXSA-N 440.403 5.671 30 20 IKED Cc1nc(C)c(-c2csc(NC(=O)c3occc3COc3cccc(C#N)c3)n2)s1 726503867 YDDSZVZJQNSRQG-UHFFFAOYSA-N 436.518 5.179 30 20 IKED FC(F)(F)c1ccccc1C=Nn1c(S)nnc1COc1c(Cl)cccc1Cl 730584251 RMJVILIFODSHEC-UHFFFAOYSA-N 447.269 5.354 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1sc2ccccc2c1Cl 730994273 ILRMRDICGQMDLP-UHFFFAOYSA-N 440.899 6.832 30 20 IKED Cc1ccc(CC(=O)Nc2cccc([C@H](C)OC(=O)[C@H](C)Oc3ccc(C#N)cc3)c2)cc1 731301759 NPXZRJVYALPKHA-PMACEKPBSA-N 442.515 5.120 30 20 IKED CCS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2ccc(-c3ccccc3C#N)cc2)c1 731522040 GIACATSUACEQIY-UHFFFAOYSA-N 439.920 5.029 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(-c3ccc(F)cc3)cc2F)ccc1OC 733232810 YROLULAKKRVHEF-FQEVSTJZSA-N 436.458 5.251 30 20 IKED C#CCN(C(=O)Nc1cccc(OCC=C)c1)[C@H]1CCOc2ccc(Br)cc21 733627652 PCVXKPCCJNUJQH-FQEVSTJZSA-N 441.325 5.005 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(-c3nc(C)cs3)cc2)ccc1OC 733631379 AIPZWFQPVKBPCI-LJQANCHMSA-N 436.537 5.130 30 20 IKED N#Cc1cccc(OCc2cccc(C(=O)N[C@H](c3ccccc3)C3CCOCC3)c2)c1 734352580 GRTLTVHFOMTQSF-AREMUKBSSA-N 426.516 5.035 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)cc1 734930731 XOFHIJGDYNCZQH-UKILVPOCSA-N 428.511 5.272 30 20 IKED COc1ccc(OCc2nc(/C=C/C(=O)c3ccc(SC(F)F)cc3)cs2)cc1 734982074 WNKNFUAZPMYQGX-NYYWCZLTSA-N 433.501 5.942 30 20 IKED Cc1ccc(-n2c(SCc3cc(Cl)ccc3OCC#N)nnc2N2CCCC2)cc1 735230297 JISKAHKSABXHLB-UHFFFAOYSA-N 439.972 5.024 30 20 IKED C[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1nc(-c2ccccc2)cs1 740050279 KWXYBHQWIVVQEL-INIZCTEOSA-N 444.585 5.971 30 20 IKED COCCCCN(Cc1ccccc1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740065142 YLWCOXGOFZZWIA-UHFFFAOYSA-N 433.577 5.425 30 20 IKED COc1ccc(/C=C\C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1Br 741447947 RGDMIYDJTKTLAI-SDQBBNPISA-N 449.366 5.070 30 20 IKED C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1nc(-c2ccc(Cl)cc2)no1 742709224 AEDXEQCXFJJILY-KRWDZBQOSA-N 444.922 5.691 30 20 IKED C[C@@H]1CN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C[C@H](c2ccc(F)cc2)O1 743624639 GSFBOIZXRQPKHU-OPAMFIHVSA-N 435.524 5.097 30 20 IKED C=CCOc1ccc(/C=C\C(=O)O[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc1OC 746140636 OHBNXPXXBHWTCO-ZHUYAKLQSA-N 440.883 5.281 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccccc2Cl)cc1 747108420 OXCBGULQCIARTQ-NRFANRHFSA-N 446.934 6.218 30 20 IKED CC(=O)N(c1nc(/C=C2\Cc3c(F)ccc(F)c3C2=O)cs1)c1ccc(F)cc1F 749589887 JTFASKUGOONURT-IZZDOVSWSA-N 432.398 5.207 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)CCc2cc(Cl)ccc2Br)c1 750839608 FHXHMMMUGLWWGJ-QGZVFWFLSA-N 435.749 5.032 30 20 IKED C=C(C)COc1cccc(NC(=O)N2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)c1 750997619 NQFPONOYJOOHLI-UHFFFAOYSA-N 443.588 5.285 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3C[C@H](O)c3cccs3)cc2)cc1 751001282 VNTNRRWLTBOGQJ-UGKGYDQZSA-N 433.533 5.532 30 20 IKED C[C@H](C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc2ccccc2c1 753519198 CBKCJISFWTUBDV-MSOLQXFVSA-N 432.545 5.377 30 20 IKED N#Cc1cc(NC(=O)c2ccccc2NCCC2=CCCCC2)ccc1N1CCC(O)CC1 764414790 SBHZFBWQVCNMRJ-UHFFFAOYSA-N 444.579 5.074 30 20 IKED CCCOc1c(Cl)cc(/C=C\C(=O)c2c(F)cccc2N2CCOCC2)cc1OC 764433993 IDUJNCDFDDNJJW-FPLPWBNLSA-N 433.907 5.009 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 767750612 IWLJNYPPMSQVFT-AWEZNQCLSA-N 425.357 5.200 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(NC(=O)OC(C)(C)C)c(C)c3)n2)cc1 772554200 NILAUPXQNQHOHB-IBGZPJMESA-N 447.560 6.264 30 20 IKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2ccc(C(F)(F)F)cc2Cl)c1C 775107496 VAKYJUSEDKVPOD-UHFFFAOYSA-N 438.833 5.079 30 20 IKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CNc2cccc(OCC#N)c2)c1 779587554 BNVQTSXYNRWTSJ-UHFFFAOYSA-N 440.503 5.071 30 20 IKED FC(F)Oc1ccc([C@@H](NCc2ccc(Cl)nc2C(F)(F)F)C(F)(F)F)cc1 787282134 YNJZBLKQNGHQKB-GFCCVEGCSA-N 434.714 5.748 30 20 IKED CCCCC[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1 787483343 MLUOMPWTOPYFNH-HSZRJFAPSA-N 432.568 5.713 30 20 IKED N#C[C@H]1CC[C@@H](Sc2nnc(CSc3nc4ccccc4s3)n2-c2ccccc2)C1 788097374 UXTKUNYEKLVKGP-DOTOQJQBSA-N 449.630 5.954 30 20 IKED CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1nnc(-c2cccc(F)c2)o1 792943708 RWZRMBHGKLWEMV-UHFFFAOYSA-N 433.327 5.545 30 20 IKED CC(C)n1nccc1/C=C1\CC(C#N)(c2ccccc2)C/C(=C\c2ccnn2C(C)C)C1=O 794933995 OIEBRYLYKFZQRH-NNFYUIBOSA-N 439.563 5.533 30 20 IKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(OC(=O)c2cc(C#N)ccc2Cl)cc1 808455948 FJFXQYDYNWMKDJ-UHFFFAOYSA-N 425.271 5.361 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(Br)s2)cc(OC)c1OCC(F)F 809151633 CPKBRHSSDOLOQA-ARJAWSKDSA-N 433.270 5.068 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNCc2cc(C(F)(F)F)ccc2Br)c1 810144590 CDHSEAVFRDYPNV-INIZCTEOSA-N 427.264 5.439 30 20 IKED C[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)CCCC(=O)Nc1ccccc1C#N 819468589 KYDDQNCSCFQTQA-FQEVSTJZSA-N 444.579 5.025 30 20 IKED Cc1ccc(-c2cc(C(=O)Nc3c(C)c(C#N)nn3-c3ccccc3)c3c(C)noc3n2)cc1 821635446 BXLOYRPWBMPZDD-UHFFFAOYSA-N 448.486 5.125 30 20 IKED O=C(/C=C/c1ccccc1OC(F)(F)F)NC1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 914766529 LPAOSEUTSZKCET-PIPZZWBRSA-N 449.313 5.624 30 20 IKED N#C[C@@H](C(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103111 OUZILKGLYIPSCH-LRDDRELGSA-N 448.375 5.084 30 20 IKED N#C[C@@H](C(=O)Cc1ccc(Br)cc1)c1nc2cc(C(F)(F)F)ccc2s1 915103755 DOERYHYBMNHFAJ-ZDUSSCGKSA-N 439.256 5.497 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2ccccc2C(=O)Nc2cccc(Cl)c2)cc1 915813024 CRSJZJACTRUHQM-UHFFFAOYSA-N 435.936 5.336 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(Br)cc2Br)cc(Cl)c1O 916140367 PFMINERNUSOPHB-DJWKRKHSSA-N 446.522 5.475 30 20 IKED CCOc1c(Cl)cc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC 916681649 VQMKOUVVKIDRIY-NRFANRHFSA-N 449.938 5.724 30 20 IKED CC(C)c1cccc(OCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 916910269 SGVWZFWIYBICEW-QFIPXVFZSA-N 428.488 5.329 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ncc(-c3ccccc3F)o2)cc1 916914802 VFZFMKDCUTXKDW-FQEVSTJZSA-N 433.483 5.103 30 20 IKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ncc(-c3ccccc3F)o2)cc1 916914803 VFZFMKDCUTXKDW-HXUWFJFHSA-N 433.483 5.103 30 20 IKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cnn1-c1cccc(Cl)c1 916945984 HJDQKSHAYPRUPZ-KRWDZBQOSA-N 447.709 5.102 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCCc2ncc(-c3ccccc3)o2)cc1 916950223 SJSFCMRIMXXFJO-AVRDEDQJSA-N 429.520 5.525 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3ccc(OC)cc3)nc2C)cc1 916953520 CUJOWVFZCPKNRI-VFNWGFHPSA-N 447.560 5.602 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(CN3CCCCC3=O)cc2)cc1 919864211 LVLUAXGCSWBNFK-UHFFFAOYSA-N 425.488 5.115 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCSc3ccc(Cl)cc3)n2)cc1 920140265 DIKPNEZBMJRHRN-LJQANCHMSA-N 437.977 6.084 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)OCC(=O)Nc1ccc(N2CCCCC2)cc1 921182586 GQRFEXCZOKDTDA-UHFFFAOYSA-N 439.515 5.011 30 20 IKED Cc1ccc(N=Nc2cc(C)ccc2NC(=O)CCc2c(C)nc(O)c(C#N)c2C)cc1 921233119 ATYKDKVVZCIIRU-UHFFFAOYSA-N 427.508 5.879 30 20 IKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccnc(C(F)(F)F)c3)cc2)CCC1 1787211950 FZNRCAZKJHHCRU-HNNXBMFYSA-N 431.458 5.060 30 20 IKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3oc4ccccc4c3C)cc2)CCC1 1788967719 NQUAAQHHBCHOIC-GOSISDBHSA-N 432.520 5.080 30 20 IKED Cc1ccc(CSCCC(=O)Nc2ccc(C3(NC(=O)CCC#N)CCC3)cc2)cc1 1791501714 YRUSYJTWIWKRGU-UHFFFAOYSA-N 435.593 5.056 30 20 IKED Cc1ccc(CSCCC(=O)NC2(c3ccc(NC(=O)[C@H](C)S)cc3)CCC2)cc1 1791580336 YWVYLXQZPLNOEM-SFHVURJKSA-N 442.650 5.071 30 20 IKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccc(F)cc2)cc1F 1800854551 UNGRXPBKVVIWSI-ZIPUMODLSA-N 438.518 5.096 30 20 IKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCC2CCCC2)[C@H]1c1cccnc1 1802498917 YLRPLMFBUUCXFU-VWNXMTODSA-N 425.617 5.050 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2c(C)cc(C)cc2C)[C@H]1c1cccnc1 1813787329 OXSNWKYANFNSNI-DGWZTRNLSA-N 445.607 5.095 30 20 IKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1829573824 LATZSSNRASZMNP-QFIPXVFZSA-N 445.563 5.237 30 20 IKED CCC[C@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](C)ON=C(C)C)CC2)CC1 1830419139 KOPCHMFQGSVLIX-HIGZBPRKSA-N 447.664 5.014 30 20 IKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)cccc2Cl)CC1 1830599066 VPLBPJUVJAMYBW-LJQANCHMSA-N 438.946 5.093 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1sc3ccccc3c1Cl)C2 1844202029 KAJGFAFLHCHUFB-INIZCTEOSA-N 428.985 5.140 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2SC)nc2cc(Cl)ccc2c1=O 9085646 LBYSIFIUWYMWHO-CYBMUJFWSA-N 445.997 5.077 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 29779950 NHBIVYJMVDYDQZ-CYBMUJFWSA-N 431.439 5.030 30 20 IKED CC(C)OCc1c(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)oc2ccccc12 60461612 UURBKMMRHWSHAV-UHFFFAOYSA-N 432.398 5.423 30 20 IKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cc(Br)cs1 71932404 TURIQDSAVDFYCF-UHFFFAOYSA-N 429.364 5.463 30 20 IKED C[C@H](NC(=O)CCCCOc1cccc(C#N)c1)c1cccc(NC(=O)c2ccccc2)c1 78876248 HDDDEFWJVGCGSY-FQEVSTJZSA-N 441.531 5.237 30 20 IKED N#CCCn1cc(C(=O)COC(=O)Cc2coc3ccc4ccccc4c23)c2ccccc21 104634160 GKNCZXYXDASRDI-UHFFFAOYSA-N 436.467 5.423 30 20 IKED N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC(OCc2ccccc2F)CC1 301940759 WBNPNZBVMNXGPC-UHFFFAOYSA-N 427.426 5.033 30 20 IKED COc1ccc(-n2c(S[C@H](C)c3ccc(C#N)cc3)nc3ccccc3c2=O)cc1OC 303651203 BDMBPWVLWADNPP-MRXNPFEDSA-N 443.528 5.128 30 20 IKED FC(F)Oc1ccc(Br)cc1CN1CCC(C(F)(F)F)(C(F)(F)F)C1 303694991 QLULDABSAVVIJE-UHFFFAOYSA-N 442.144 5.367 30 20 IKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 303724764 WZFQQADAUSXHBW-UHFFFAOYSA-N 447.219 5.681 30 20 IKED N#CC1(CCCN2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)CCOCC1 410312383 CCFMSTYLVSFWQV-UHFFFAOYSA-N 444.044 5.287 30 20 IKED Cc1cc(F)cc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c1 432213310 NUWNRZKYODSHJE-UHFFFAOYSA-N 431.311 5.610 30 20 IKED Cc1ccc(S(=O)(=O)N[C@H](CN[C@H](CCCC#N)c2ccccc2)c2ccccc2)cc1 433024443 CVEBLMICPDGAPP-CLJLJLNGSA-N 447.604 5.039 30 20 IKED N#CCCn1cc(CN2CCC[C@H](Cc3csc4ccccc34)C2)c(-c2ccncc2)n1 434980358 DDEOTKBOABQEDW-HXUWFJFHSA-N 441.604 5.528 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 437982035 YIDXGUGDHNBXRE-DWXRJYCRSA-N 443.522 6.200 30 20 IKED N#Cc1ccc(NC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)cc1C(F)(F)F 438646601 MEITVIKGEWDSHB-UHFFFAOYSA-N 437.849 5.100 30 20 IKED N#CC1CCC(CNC(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)CC1 441313894 VPGLBLNQPATKIN-UHFFFAOYSA-N 434.418 5.002 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2CCCCC[C@H]2c2ccco2)cc1F 441995651 FPNXUVONRXWWAU-FQEVSTJZSA-N 447.466 5.165 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(C(F)(F)F)cc1 442102441 XIRHDCJLOIIJLQ-HXUWFJFHSA-N 443.469 5.269 30 20 IKED Cc1cc(-n2cncn2)ccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 460940533 XIQCXFSZPWQZIV-UHFFFAOYSA-N 429.867 5.145 30 20 IKED Cc1ccc([C@@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)cc1 461670040 YVKKVELKOUMLBK-ZEQRLZLVSA-N 427.552 5.036 30 20 IKED CN(C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1)[C@H]1CCCC[C@H]1C(F)(F)F 463492943 SDPCIRBGRGSHHY-CABCVRRESA-N 444.391 5.688 30 20 IKED CC(C)Oc1ccc(-c2nc(C(=O)[C@@H](C#N)c3cc(C(F)(F)F)ccn3)cs2)cc1 464411926 OXPLQWMNRCAIMN-INIZCTEOSA-N 431.439 5.501 30 20 IKED Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)cc12 464419266 VATHDNJSRSTIHQ-QGZVFWFLSA-N 440.450 5.358 30 20 IKED N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCC[C@H]3c3ccc(Cl)cc3)ccc21 470547617 FLQZSISQNHVKIO-NRFANRHFSA-N 436.943 5.292 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 473797693 UUUDMHOXLPHPHM-SFHVURJKSA-N 438.491 5.122 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCCC[C@@H]3c3nc4ccccc4o3)s2)cc1 474354019 NIQWOIAWKICGSB-HXUWFJFHSA-N 443.532 5.506 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](CCC)C(=O)N1CCc2sccc2C1 475583269 WJPXVISWKPYODZ-OAQYLSRUSA-N 439.625 5.475 30 20 IKED C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](c1ccc(C(C)C)cc1)c1cccs1 476878455 HPXGMOBTPNXWMD-XMMPIXPASA-N 438.593 5.834 30 20 IKED C=C(C)[C@@H](NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)c1ccc(F)c(F)c1 477747586 XIYYBSKNOJXGDE-CXAGYDPISA-N 445.457 5.647 30 20 IKED CCOc1ccc(-n2c(SCc3ccc(C#N)c(F)c3)nnc2-c2cccnc2)cc1 478518811 RJWFAMUOMXLTTE-UHFFFAOYSA-N 431.496 5.031 30 20 IKED CC[C@@H](C)Sc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)c(C(F)(F)F)c1 480927895 GTKGTTRIPPQUMQ-ZIAGYGMSSA-N 449.498 5.284 30 20 IKED C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1cccc(Br)c1 481365119 SMOHBAPTBZKFMP-INIZCTEOSA-N 435.435 5.108 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2c(CC)cccc2CC)nnc1-c1cccs1 481405174 VLIWZPZEUZSMNZ-OAHLLOKOSA-N 426.611 5.437 30 20 IKED C=C(C)Cn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2C)nnc1-c1ccco1 481900789 ZYPODAPCPVVOAR-UHFFFAOYSA-N 436.459 5.172 30 20 IKED N#C[C@H](C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1nccc2ccccc12 483229352 KOAPWJRLGZGFGR-QHCPKHFHSA-N 434.524 5.665 30 20 IKED C[C@H](NCC(=O)Nc1sccc1C#N)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 484801871 FBHKMPDYLVOVIL-LBPRGKRZSA-N 435.496 5.656 30 20 IKED Cc1nc2cc(C(=O)N[C@@H](CCCC#N)c3ccccc3)ccc2n1Cc1ccsc1 487578240 WCNOHYOFRJHSPE-QFIPXVFZSA-N 428.561 5.620 30 20 IKED C[C@@H]1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)c2cc(C(F)(F)F)ccc2S1 494453710 GVLUOERPZYHWCI-CQSZACIVSA-N 442.466 5.294 30 20 IKED C[C@H](C1CC1)N(C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)C1CC1 496307311 JKDYFXYBQVEDGO-GFCCVEGCSA-N 434.487 5.419 30 20 IKED CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H]1c1ccc(OC)cc1 499430473 HEXZIOXHLOAGLP-ZCYQVOJMSA-N 447.579 5.215 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(Br)s3)c2)cc1 501436404 NXPHKLDCUPKKJJ-UHFFFAOYSA-N 427.323 5.408 30 20 IKED C[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 502636940 SQCSARQAERSKJV-NDEPHWFRSA-N 439.559 5.917 30 20 IKED Cc1cc(C(=O)Nc2ccccc2CN(C)C2CCCCC2)nn1-c1cccc(C#N)c1 502651028 YOPVVHKVVWHBHF-UHFFFAOYSA-N 427.552 5.069 30 20 IKED Cc1c(C(=O)Nc2sc3c(c2C#N)CCCCC3)sc2nc(C(F)(F)F)ccc12 502763713 RBKFFEPDBBLCPM-UHFFFAOYSA-N 435.496 6.078 30 20 IKED N#Cc1c(NC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)sc2c1CCCC2 503231648 LZRWNIBXAZZHJV-UHFFFAOYSA-N 431.546 5.060 30 20 IKED CN(CCc1cccc2ccccc12)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 508241044 IFBMVZIKOMYCIS-UHFFFAOYSA-N 448.526 5.670 30 20 IKED C=CCN(Cc1cccs1)C(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 508390310 ZZSBKVFGHCOVKG-UHFFFAOYSA-N 442.588 5.558 30 20 IKED N#CCC[C@@H](C#N)CSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1 508401353 KHMDSJSOLVCRBA-HNNXBMFYSA-N 445.935 6.141 30 20 IKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)cc1 509070547 RGSRDSCHCAGKBI-UHFFFAOYSA-N 427.504 5.213 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C[C@H]1Sc2ccccc2NC1=O 510237663 DKMPHUKBJSTQDT-JOCHJYFZSA-N 429.501 5.101 30 20 IKED CCc1ccc(CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C2CC2)cc1 511423004 URWMLMJUHWEIAK-UHFFFAOYSA-N 439.559 6.091 30 20 IKED CCN(CC)C(=O)c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 511553861 LCTPXXDDVPFQAW-QHCPKHFHSA-N 445.950 5.730 30 20 IKED Cn1c([C@H]2CCCN2C(=O)c2cccc(OCc3ccccc3C#N)c2)nc2ccccc21 518128650 ZBFLJLZVIUICRE-RUZDIDTESA-N 436.515 5.001 30 20 IKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)c1nc(-c2ccccc2)cs1 518480319 RLLBJXUIODRNKM-NRFANRHFSA-N 439.496 5.191 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(OC(F)F)cc3OC(F)F)cc2)nc1 518903605 KPENORXBSFANIO-UHFFFAOYSA-N 447.344 5.201 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(Br)c(F)c2)cc1 520012588 JESZXZOTIJHVTE-UHFFFAOYSA-N 439.284 5.486 30 20 IKED CC(C)[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc2c(c1)OCCO2 520195626 FXVIHMKTPJTUHJ-AOMKIAJQSA-N 425.554 5.371 30 20 IKED Cc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(OCC(F)(F)F)c1 520325220 CDUNRTWSUWWOIZ-UHFFFAOYSA-N 440.421 6.047 30 20 IKED N#Cc1ccccc1N(Cc1ccco1)C(=O)Cc1csc(Cc2ccc(F)cc2)n1 520488974 BXYLOBXRGWQINP-UHFFFAOYSA-N 431.492 5.114 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1nc(-c2ccccc2)cs1 520749816 IBQMBAARJOQXHY-OAHLLOKOSA-N 439.327 5.793 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2)c1 521314915 ZLWCKQYLGJFRNL-UHFFFAOYSA-N 445.478 5.457 30 20 IKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](COc1ccccc1F)c1ccccc1 521736461 LQYYIZRPTSPLNF-DEOSSOPVSA-N 429.495 5.215 30 20 IKED CN(Cc1csc2ccccc12)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 521808291 IFBOFLKTPFEYIT-UHFFFAOYSA-N 441.512 5.162 30 20 IKED COc1cc(Br)ccc1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 522143417 BWYPIUIWKKKAJD-UHFFFAOYSA-N 438.281 5.077 30 20 IKED Cc1csc(-c2cccc(NC(=O)NC3CCC(Oc4ccccc4C#N)CC3)c2)n1 523633660 COTDGOOHQCMYBD-UHFFFAOYSA-N 432.549 5.502 30 20 IKED COc1cc(OC)c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1Cl 523880377 AKFLCWXENRQLRU-UHFFFAOYSA-N 443.286 5.927 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(N3CCC(C)CC3)c2)cc1C 524253396 RFRDAHAYIDCBCG-UHFFFAOYSA-N 441.579 5.569 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C 524813310 AZBYOSXRPLPLBQ-OAQYLSRUSA-N 438.890 5.088 30 20 IKED O=C(CNc1cc(F)ccc1OCC(F)(F)F)Nc1ccc(Cl)cc1C(F)(F)F 530730764 MZUQQWCBYNBEEL-UHFFFAOYSA-N 444.734 5.490 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC(Oc2ccccc2Cl)CC1 533148153 UJJHDMVJYOQXAB-QGZVFWFLSA-N 444.000 5.074 30 20 IKED COc1ccccc1[C@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccccn1 534839774 ADWHDLPSRCVFHI-MHZLTWQESA-N 449.510 5.060 30 20 IKED N#CC1(c2ccc(C(=O)Nc3ccc(C(=O)N4CCC[C@H]4c4ccccc4)cc3)cc2)CC1 537420581 RQGZLLBIFKJZID-VWLOTQADSA-N 435.527 5.471 30 20 IKED C=CCN(C(=O)[C@H](C)c1c(C)nn(CC(F)(F)F)c1C)c1nc(-c2ccccc2)cs1 537586823 MFMHQKISQJYMCJ-CQSZACIVSA-N 448.514 5.508 30 20 IKED CCN1CC[C@@H](NCc2ccc(OC)c(OCCCC#N)c2)[C@H]1c1ccc(Cl)c(F)c1 540202612 VRJDGIMVPHTPPV-ZJSXRUAMSA-N 445.966 5.095 30 20 IKED Cc1ccc(C)c(-n2c(SCCCC3(C#N)CCOCC3)nc3ccccc3c2=O)c1 540768241 IRAWFFVIPUSUFC-UHFFFAOYSA-N 433.577 5.195 30 20 IKED CC(=O)c1c[nH]c(C(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)c1 543098500 MHXGFQJQGKSIEH-ZDUSSCGKSA-N 446.269 5.288 30 20 IKED C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccc([N+](=O)[O-])cc1F 543482638 JYWXGLDULLBJGI-LLVKDONJSA-N 441.406 5.501 30 20 IKED CC(C)(c1ccc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1)C(F)(F)F 552202179 KPLWLXFJOUHMGV-UHFFFAOYSA-N 433.449 5.392 30 20 IKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccn(Cc3ccccc3)n2)cc1 552433415 ILQMFFGFCFHCCL-UHFFFAOYSA-N 438.556 5.025 30 20 IKED COc1ccc(-c2nc(C)c([C@H](C)NCc3ccc(Br)cc3C#N)s2)cc1 553910038 DULWZWGQIVWRQX-ZDUSSCGKSA-N 442.382 5.612 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)c2ccccc2OCc2ccccc2Cl)CC1 554542618 SBHOTADGTDEQPD-UHFFFAOYSA-N 431.923 5.012 30 20 IKED CC1(C(=O)N[C@@H]2CCSc3ccccc32)CCN(c2ccc(Cl)cc2C#N)CC1 561328691 XAJRGECOHBHBHM-LJQANCHMSA-N 425.985 5.171 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 568677044 HMNVQAHFHDSOOU-MAUKXSAKSA-N 425.558 5.348 30 20 IKED Cc1nn(-c2ccccc2)cc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 588348975 LNLFSZJBKSVDRL-HNNXBMFYSA-N 426.423 5.299 30 20 IKED C=C(C)COc1cccc(NC(=O)CCc2ncc(-c3ccccc3Br)o2)c1 589384622 WDUBMTOFTLEGHS-UHFFFAOYSA-N 441.325 5.630 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1ccoc1C 597494326 IFGZXEJPLUXROB-IBGZPJMESA-N 449.580 5.077 30 20 IKED Cc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cnn1C(C)(C)C 603756911 FVLRFOKYOIUTPD-UHFFFAOYSA-N 447.486 5.137 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)c1 608803011 VEAUJMRXEYUVIM-UHFFFAOYSA-N 434.455 5.297 30 20 IKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1Cl 608873368 VOKYIDJABBYWDF-UHFFFAOYSA-N 443.934 5.757 30 20 IKED CCOc1cccc2cc([C@H](C)NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)oc12 609055836 TZTJTBFQKFTCAW-INIZCTEOSA-N 430.460 5.366 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCOc4ccccc43)s2)c(C(F)(F)F)c1 609102429 WJINDVMZBAVKBY-QGZVFWFLSA-N 443.450 5.129 30 20 IKED CCOc1c(Br)cc(Cl)cc1NC(=O)c1cc2ccccc2n1CC#N 609170902 ZVNVDVXBGDTHKW-UHFFFAOYSA-N 432.705 5.232 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CSCc1ccc(F)cc1 609378448 MREQDVDZKIBBSU-UHFFFAOYSA-N 428.476 5.722 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(Cl)c2c(c1)OCCO2 609388252 YYEUUPDJOVPVEL-CQSZACIVSA-N 448.997 5.377 30 20 IKED N#C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1Br 609592327 DTYMXRXHHAXJRD-KRWDZBQOSA-N 444.716 5.071 30 20 IKED COc1cc(C[S@@](=O)Cc2ccc(C(C)(C)C)cc2)ccc1OCc1cccc(C#N)c1 609742943 CJAJXVJYMOHEQX-YTTGMZPUSA-N 447.600 5.892 30 20 IKED COc1cccc(Oc2ncccc2CNC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c1 610164380 LZMASFBIPDWSTR-UHFFFAOYSA-N 444.535 5.122 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)n1 610167410 PVJBWYQMAQARGP-NSHDSACASA-N 438.862 5.761 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 610325785 IJPRLUWKPAWNDM-HNNXBMFYSA-N 425.945 5.481 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccccc2N2CCCC2)cc1F 610335111 VSPVCOGHDCPCHK-UHFFFAOYSA-N 430.483 5.412 30 20 IKED N#Cc1cc(Cl)c(C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)c(Cl)c1 611094324 GSIDELBBMXTNHS-GDLZYMKVSA-N 443.355 5.566 30 20 IKED Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)N1CCC[C@@](C)(C#N)C1 612376058 PYLFHWXIYAXEJZ-VLIAUNLRSA-N 447.402 5.277 30 20 IKED C=CCn1c(Sc2nc(C)nc3sc4c(c23)CC[C@H](C)C4)nnc1-c1ccncc1 669623655 PJPKMCGFPQEIAU-ZDUSSCGKSA-N 434.594 5.115 30 20 IKED Cc1c(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)noc1-c1ccccc1F 683969786 HYPVZRAPQALTGC-PHIMTYICSA-N 439.331 5.384 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OC(C)C)cc2)[n+]2cccc(C)c2)c1 726572589 CROGLXISUONUCB-UHFFFAOYSA-O 429.565 5.374 30 20 IKED C[C@@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1nc2ccccc2n1C(F)F 727985711 HXGUAHREJBPZDL-CQSZACIVSA-N 437.402 5.393 30 20 IKED COc1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1F 728175057 HJMIUYFPNJMKKE-UHFFFAOYSA-N 425.460 5.233 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)cc1 728466221 PWONVJFUDZSMTJ-FQEVSTJZSA-N 439.496 5.447 30 20 IKED N#C[C@@H](C(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1nc(O)c2c3c(sc2n1)CCCC3 728764532 SBLXIMABYPPSCF-GJZGRUSLSA-N 445.466 5.188 30 20 IKED N#C[C@H](C(=O)[C@@H](Sc1ccccc1F)c1ccccc1)c1nc2cc(F)ccc2s1 730420211 BHTLJXNVAJOTOL-ZHRRBRCNSA-N 436.508 6.284 30 20 IKED O=C(O)c1ccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)s1 730589062 GDMCQRSQMFCGHZ-GORDUTHDSA-N 448.250 5.273 30 20 IKED C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCc2ccc(OCC#N)cc2)nnc1-c1ccco1 731156373 QXJWQFYLPHIMJK-SAJDGTNDSA-N 434.565 5.730 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1 731332504 MTLWVAOYVVQPDG-CQSZACIVSA-N 429.517 5.819 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)OCC(=O)Nc3cc(Cl)ccc3F)cc2)cc1 732377541 QCBUHQXEXSUOTJ-UHFFFAOYSA-N 438.842 5.133 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 732495849 IRHWYMPAFUDGKD-GAJHUEQPSA-N 438.487 5.220 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2nc(-c3ccccc3)cs2)cs1 732572146 ZBJDXVIXKZQURQ-FMIVXFBMSA-N 449.532 5.986 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@H]2[C@H](CC)c2ccccc2)ccc1OC 733654174 PKHHNZRWQJNCJE-ZLNRFVROSA-N 435.568 5.244 30 20 IKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(-c3ccc(Cl)cc3)s2)cs1)C1CC1 734306152 MAPUEHFRUCQMSB-TWGQIWQCSA-N 428.966 5.936 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cccc(Cl)c2Cl)cs1 734980342 JMRRMIVBLNNMIC-DHZHZOJOSA-N 431.344 6.339 30 20 IKED C[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccc2c(c1)CC(=O)N2C 735009882 QQRDUDYMIPXNIL-HNNXBMFYSA-N 445.906 5.014 30 20 IKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C(C)(C)C)cc3)NC2=O)cc1Cl 736642593 YDGAPELAKXBUFW-GOSISDBHSA-N 429.973 5.194 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(OC(F)F)c2)[n+]2ccc(C)cc2)c1 738007760 OGEUBKIXUVGTSI-UHFFFAOYSA-O 437.491 5.189 30 20 IKED N#Cc1ccc(-c2cccc(CNC(=O)NC[C@H]3CCCO[C@H]3c3ccccc3)c2)s1 740039409 ROGISESKIKFFDZ-QPPBQGQZSA-N 431.561 5.254 30 20 IKED O=C(/C=C\c1cc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741844314 SZUDRINIDBOTRN-FLIBITNWSA-N 436.476 5.647 30 20 IKED O=C(/C=C\c1ncc(-c2ccc(Br)cc2)[nH]1)c1c(Cl)nc2sccn12 741844417 OXNHTDCICHJNIW-WAYWQWQTSA-N 433.718 5.098 30 20 IKED O=C(/C=C/c1sc2ccccc2c1Cl)c1ccc(S(=O)(=O)CC(F)F)cc1 741851859 DYERGPRTYWTGOC-MDZDMXLPSA-N 426.893 5.490 30 20 IKED C/C(=C/C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccccc1C(F)(F)F 745274652 VCIYXRZZYALBTO-FCFCDCELSA-N 448.416 5.126 30 20 IKED N#C[C@@H](C(=O)CCCc1ccc(Br)s1)C(=O)Nc1cccc2ccccc12 747109299 OMYZCNOLFQKSPQ-KRWDZBQOSA-N 441.350 5.334 30 20 IKED Cc1ccc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc1NC(=O)OC(C)(C)C 752379667 LTFDMYPHZHZSOE-UHFFFAOYSA-N 432.442 5.142 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 752618342 VUWCROKZUKAARK-NVXWUHKLSA-N 433.499 5.979 30 20 IKED CCOC(=O)Nc1ccc(N[C@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)cc1C#N 752796622 NAFPIZICXUWZLL-LLVKDONJSA-N 446.294 5.657 30 20 IKED CN1C(=O)CCc2cc(C(=O)/C=C/c3cccc(NC(=O)c4ccc(Cl)cc4)c3)ccc21 754689335 FUNJDUBEJRATGA-WLRTZDKTSA-N 444.918 5.397 30 20 IKED C[C@@](O)(C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1cccc(C(F)(F)F)c1 754835623 IXAWROHLAICQPQ-QHCPKHFHSA-N 440.421 5.002 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@H](OC(=O)c1c(F)cc(C#N)cc1F)C(F)(F)F 755356059 AOXIJNBRYGRSCB-IBGZPJMESA-N 435.352 5.099 30 20 IKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cc(F)cc2cccnc12 760227271 VZJTVYVLPBGFKQ-UHFFFAOYSA-N 448.910 5.656 30 20 IKED C=CCn1c(-c2cccs2)nn(CN2CCC(OCCc3ccccc3)CC2)c1=S 764925489 QVKNUUGEMHUOEE-UHFFFAOYSA-N 440.638 5.010 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1cc(=O)oc2cc(C)c(C)cc12 768404568 WDZUTEYKFWKGHG-UHFFFAOYSA-N 447.560 5.367 30 20 IKED C=CCn1c(-c2ccccn2)nn(CN2CCC(=Cc3ccc(F)c(F)c3)CC2)c1=S 768907269 OFYGVNKTVVNJRA-UHFFFAOYSA-N 439.535 5.077 30 20 IKED CC(C)(C)OC(=O)N1CCCCC[C@@H]1c1noc([C@H]2CCCN2c2ccc(C#N)cc2)n1 782227738 OQNRQHORLSSERN-WOJBJXKFSA-N 437.544 5.135 30 20 IKED C[C@H](NC(=O)[C@@H](C#N)C(=O)[C@@H](C)c1cn(C)c2ccccc12)c1ccc(Cl)cc1Cl 787052646 MTGQKVZIYLNZLG-DEYYWGMASA-N 442.346 5.175 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 789454580 BCQCLQYSPCXWDM-QUCCMNQESA-N 429.605 5.696 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCOc2c1ccc(Cl)c2Cl 792780395 PZJSTIFKEVNLJS-DOMZBBRYSA-N 436.364 6.033 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 797642258 ATQLGYJXORYDLG-UGSOOPFHSA-N 432.293 5.248 30 20 IKED N#CC1(CCCSC2=N/C(=C\c3ccccc3)C(=O)N2c2ccc(F)cc2)CCOCC1 798366316 QXCAMWUJAXJEPL-XLNRJJMWSA-N 449.551 5.403 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)cc1 800518935 HGCZRHNPGAVIFA-UIOOFZCWSA-N 448.526 5.067 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)[C@@H](C)Cc2ccccc2C(F)(F)F)c1 805113667 KOPXIBDLPOTUHW-QFBILLFUSA-N 433.474 5.159 30 20 IKED COc1cc(/C=C2\C[C@H](C(=O)O)c3ccccc3C2=O)ccc1OCc1ccc(F)cc1 806559946 HEIWGRCGELCFNX-JMOSNPTESA-N 432.447 5.252 30 20 IKED C=CCn1c(-c2cccs2)nn(CN2CCCC[C@@H]2c2nnc(C3CCC3)o2)c1=S 808241771 XNNNNJRQZCYYNG-MRXNPFEDSA-N 442.614 5.164 30 20 IKED CC(C)(C)OC(=O)Nc1ccc(Cc2noc(-c3cc(-c4cccc(C#N)c4)no3)n2)cc1 809433110 XNYGXYRDWWTIGS-UHFFFAOYSA-N 443.463 5.201 30 20 IKED C[C@H](C#N)Oc1ccc(CN(CCCn2ccnc2)Cc2c(F)cccc2Cl)cc1 809728169 NRLBUROIVUSPQW-GOSISDBHSA-N 426.923 5.059 30 20 IKED Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)[C@H](C#N)c2nc(C(C)C)cs2)cs1 810606613 ZCCORLNRCUQQEM-INIZCTEOSA-N 427.570 5.992 30 20 IKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(Br)nc2)cs1 811696110 JHUWHRNIRULBKU-YVMONPNESA-N 446.301 5.020 30 20 IKED C=CCn1c(SCC(=O)N2Cc3ccccc3[C@@H](C)C2)nnc1-c1ccc(Cl)cc1 913412063 BYZBTNYURABRMR-INIZCTEOSA-N 438.984 5.023 30 20 IKED COc1ccc(-c2noc(CCCC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)n2)cc1 915102463 UCIZOLOOURZACX-IBGZPJMESA-N 444.516 5.068 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1cccs1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103311 SNCCDRLKHNTULE-ZDUSSCGKSA-N 435.357 6.018 30 20 IKED CN(Cc1ccccc1Br)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915351475 CTUREKBXFZIJKX-OAQYLSRUSA-N 434.337 5.768 30 20 IKED N#Cc1cccnc1Oc1ccccc1NC(=S)Nc1ccc(OC(F)(F)F)cc1 916001174 WDAIFNCPCCXSHP-UHFFFAOYSA-N 430.411 5.453 30 20 IKED CCOc1cc(/C=C\C(=O)c2ccc(OC)cc2F)ccc1OCC(=O)Nc1ccccc1 916141871 SWZZUWHVYGSFAE-LCYFTJDESA-N 449.478 5.147 30 20 IKED N#C[C@@H](C(=O)CCc1cccc(Br)c1)C(=O)Nc1ccc(Cl)cc1Cl 916927752 CRXCPDQYISDNHH-AWEZNQCLSA-N 440.124 5.036 30 20 IKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)c(C)n1[C@H](C)c1ccccc1 916937701 GMYACIAEFLABMW-FOIQADDNSA-N 437.902 5.468 30 20 IKED C=CCn1c(Sc2nn3cc(-c4ccccc4)nc3s2)nnc1-c1ccc(F)cc1 917028033 AKDVWNUIZGUMRF-UHFFFAOYSA-N 434.525 5.193 30 20 IKED N#C[C@H](C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 917031074 OXGSDXYMQPAYGV-AUMMPMOGSA-N 449.551 5.052 30 20 IKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1nc2cc(Cl)ccc2s1 917045911 CMEMXVRZMDZPHI-HNNXBMFYSA-N 442.327 6.067 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(N(C)C)cc2)cs1 917560147 RWFJQRBUESSBPG-JYRVWZFOSA-N 425.941 5.443 30 20 IKED Cc1cc(-n2c(C)cc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c2C)no1 918609383 PDUNKYRKZWJDIQ-UHFFFAOYSA-N 440.503 5.288 30 20 IKED C=CCn1c(-c2cccnc2)nn(CN(C2CC2)[C@H](C)c2ccc3ccccc3c2)c1=S 920304802 AWTDGUAXVJMGRC-LJQANCHMSA-N 441.604 5.998 30 20 IKED N#C[C@H](C(=O)Cc1csc(-c2cccs2)n1)c1nc(-c2c(F)cccc2F)cs1 920805698 FQIPHSUWWWHQKZ-GFCCVEGCSA-N 443.525 5.692 30 20 IKED Cc1ncsc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1787425277 MRXPZWHLHSSKGX-INIZCTEOSA-N 444.560 5.140 30 20 IKED CCC[C@H]1CC[C@H](C(=O)NC2(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC2)CC1 1789578484 WIAREHHAAIZYMA-UGEYFMBASA-N 449.595 5.439 30 20 IKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c2ccccc2n2ccsc12 1799128275 JXKHEGACVJHNLK-REPLKXPHSA-N 449.620 5.398 30 20 IKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C(C)(C)C)s2)C3)c1 1803680329 ZZAVVRHMJJSOEZ-RZXSNQJFSA-N 449.620 5.238 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C3CC3)cc2)[C@@H]1c1cccnc1 1811834386 FBAHKFNOFAGICU-DQEYMECFSA-N 445.607 5.271 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2ccccc2C)[C@H]1c1cccnc1 1812750097 CIVVMSRJXVLUJD-AZGAKELHSA-N 447.623 5.021 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sccc2Cl)[nH]n1 1814830110 PHMGIWLCOYQJGH-KRWDZBQOSA-N 432.977 5.199 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CSc2ccccc2)n[nH]1 1816954241 WEPIHHUVGRGAPQ-HXUWFJFHSA-N 440.613 5.187 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3[nH]ccc3s2)n[nH]1 1818789546 XUZVFZOCVLLOTN-MAUKXSAKSA-N 437.569 5.027 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccoc3s2)[nH]n1 1819305042 BVIYLDKZDPAMKO-FUHWJXTLSA-N 438.553 5.292 30 20 IKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@]2(F)CCCC=C2F)CC1 1824146185 UITCCTYSCGIYQU-PXDATVDWSA-N 434.571 5.120 30 20 IKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 1831449279 XPSMXDBQAJOAQI-BVSLBCMMSA-N 438.603 5.280 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccccc2F)CC1 1832393341 NGMAXSVUCUGIHD-UKILVPOCSA-N 440.603 5.146 30 20 IKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)CC1 1832699645 KLFWARIQGFVFLK-HHHXNRCGSA-N 442.603 5.390 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1[nH]c2ccoc2c1-c1ccccc1 1847264798 UXYVGXKXSHQWRM-SFTDATJTSA-N 445.563 5.236 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)OCC(=O)c2ccc(C#N)cc2)cc1 10604112 VTRRCJLNETZVFA-UHFFFAOYSA-N 438.483 5.074 30 20 IKED O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 16406396 PKJWLARUDJBWDB-DHZHZOJOSA-N 441.270 6.050 30 20 IKED Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccc(CC#N)cc4)c23)cc1 17144906 HLUIIZPZKRGRIM-UHFFFAOYSA-N 430.558 5.464 30 20 IKED C[C@H](OC(=O)c1oc2ccccc2c1COc1ccccc1)C(=O)Nc1ccccc1C#N 21606125 JDMFBCNWGSBJKQ-KRWDZBQOSA-N 440.455 5.067 30 20 IKED CCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cc(C)ccc2C)cc1 22729691 OZGUZLCTSCTAIG-UHFFFAOYSA-O 425.524 5.482 30 20 IKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cc(C)ccc2C)[n+]2ccc(CC)cc2)cc1 22729774 SZFDSZXBHFQXNY-UHFFFAOYSA-O 433.597 5.603 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 29786010 PZEBJKMZBATZIT-CYBMUJFWSA-N 431.439 5.030 30 20 IKED C=CCNC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 29811269 WMNNEDUZTXQDMY-IBGZPJMESA-N 444.535 5.012 30 20 IKED N#C[C@H](C(=O)c1cnn(-c2ccccc2Cl)c1)c1nc(-c2c(F)cccc2F)cs1 64792986 JHIPTJZYUKKGBH-CYBMUJFWSA-N 440.862 5.417 30 20 IKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)cc1OC 109249868 MEMASFITGUMNAQ-YNEJIKTKSA-N 448.563 5.235 30 20 IKED N#Cc1ccccc1COc1ccc(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 409581732 MLWNLMJEBZFYNC-JYFHCDHNSA-N 426.516 5.035 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 430708363 JGARDJSQGKJNMP-GFCCVEGCSA-N 432.427 5.259 30 20 IKED CC(C)(C)n1cc(C#N)cc1NC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1 435058548 UXEPWGHGMKGAHH-UHFFFAOYSA-N 433.295 5.241 30 20 IKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1F 437484645 PAGJJTMCBCLMDS-UHFFFAOYSA-N 446.438 5.250 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3cc(-c4ccccc4)ns3)c2)cc1 439388456 OOEHPGYUVFTQHM-UHFFFAOYSA-N 440.484 5.051 30 20 IKED CSCCc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 439539783 FGWWOOLIFPNWOD-UHFFFAOYSA-N 445.544 5.142 30 20 IKED CCCc1c(NC(=O)N2C[C@@H](C)C[C@H]2c2ccccc2F)cnn1-c1cccc(C#N)c1 439667732 BQISYENGTQBCJG-XDHUDOTRSA-N 431.515 5.451 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)Nc1ccc(CCC(F)(F)F)cc1 441345547 HNTAAFHCUOOCAT-AWEZNQCLSA-N 435.471 5.153 30 20 IKED Cc1cc(C)c(NC(=O)Cc2noc(/C=C\c3cn(CCC#N)c4ccccc34)n2)c(C)c1 445332026 NCQVYTZVURBIJJ-KTKRTIGZSA-N 439.519 5.215 30 20 IKED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c1 460336901 BZVYFVMWINNJDI-NRFANRHFSA-N 433.870 5.010 30 20 IKED CC(=O)c1cccc(O[C@@H](C)C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)c1 460337238 XONBLWPIEOMFHF-SFHVURJKSA-N 432.907 5.415 30 20 IKED C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCc2cc(OCC)ccc2C1 460791144 FADZSANDAVUFTK-DQEYMECFSA-N 444.579 5.061 30 20 IKED Cc1nc(NC(=O)C[C@H](C)c2ccc(F)c(Br)c2)sc1SCC#N 461906162 FLMCPDYSMRNUCY-VIFPVBQESA-N 428.352 5.101 30 20 IKED N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c1 462914618 UAKUSECKKYESLJ-ZJSXRUAMSA-N 432.907 5.654 30 20 IKED COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1c(F)cc(C(F)(F)F)cc1F 463068929 JIZYAISNLGNPQB-UHFFFAOYSA-N 443.290 5.280 30 20 IKED CCCOc1ccc(-c2nc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)cs2)cc1 464469201 RJQQRHJUDNIXHR-MRXNPFEDSA-N 431.439 5.503 30 20 IKED Cc1ccc2nc(-c3cccnc3)cc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)c2c1 464474457 KRRXZLCGMONJIU-LJQANCHMSA-N 432.405 5.509 30 20 IKED C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 467894796 LQXPVRSZJRKYMS-QGZVFWFLSA-N 447.485 5.761 30 20 IKED N#CCCCN1C(=O)CCc2cc(N[C@@H]3CCCOc4cc5c(cc43)CCCC5)ccc21 469183689 GVDAIAKYHIKVPV-XMMPIXPASA-N 429.564 5.474 30 20 IKED C=CC[C@H]1N(C(=O)CCc2ncc(-c3ccccc3Br)o2)CCCC1(C)C 470300782 XJLWUJKUUJWFET-LJQANCHMSA-N 431.374 5.630 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)o1 472276807 NVDBAEZWTHLPEP-DEOSSOPVSA-N 443.890 5.298 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 475571775 NFZJWCGJQPOZSV-INIZCTEOSA-N 437.531 6.425 30 20 IKED COc1ccc(-c2csc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)n2)cc1Cl 477195083 POAKEVCDUMHMBZ-UHFFFAOYSA-N 438.818 5.010 30 20 IKED CCCC(=O)Nc1ccc(Cl)c(NCC(=O)N(CCC#N)c2cccc(C)c2C)c1 478956591 GTLWEINBHVYUBI-UHFFFAOYSA-N 426.948 5.054 30 20 IKED CN(C(=O)c1csc(-c2ccc(Br)s2)n1)c1cc(Cl)ccc1C#N 479575177 FDXXDEAVKSGHKC-UHFFFAOYSA-N 438.759 5.436 30 20 IKED Cn1cc(CNc2ccc(NC(=O)c3ccco3)c(Cl)c2)c(-c2ccc(C#N)cc2)n1 479976319 DUHSTDUDYYRDJT-UHFFFAOYSA-N 431.883 5.070 30 20 IKED C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 480373587 XLJLSDFWGIPVCT-IERDGZPVSA-N 431.458 5.526 30 20 IKED CC[C@H](C)Sc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)c(C(F)(F)F)c1 480927882 GTKGTTRIPPQUMQ-KBPBESRZSA-N 449.498 5.284 30 20 IKED C=C(C)Cn1c(SCc2nnc(-c3cc(C)c(CC)s3)o2)nnc1-c1ccncc1 481338874 FLMONCAYWMFIHM-UHFFFAOYSA-N 438.582 5.191 30 20 IKED C=CCn1c(COc2ccc(C)cc2)nnc1SCc1coc(-c2ccc(F)cc2)n1 481374238 QAMSWVAFAGUCEC-UHFFFAOYSA-N 436.512 5.438 30 20 IKED Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nccc4ccccc34)c12 483215670 IOIUEYSRGKSCCV-OAQYLSRUSA-N 444.498 5.040 30 20 IKED CC(C)[C@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1ccncc1 483646366 PPEDWSAQJILKLM-IBGZPJMESA-N 444.482 5.398 30 20 IKED Cc1csc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1Br 486027734 KDODQLFGPMAULR-UHFFFAOYSA-N 441.350 5.716 30 20 IKED N#CCCN(Cc1ccco1)C(=O)c1ccc(Oc2cccc(Br)c2)cc1 486871018 UXWCWZYAJHNLPB-UHFFFAOYSA-N 425.282 5.390 30 20 IKED C=CC[C@@H](C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1)c1ccccc1 489722596 ZVOUPQPBFKBICE-RDTXWAMCSA-N 426.314 5.036 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)cc1 493984177 QMOWPJUQABOQTG-SFTDATJTSA-N 439.353 5.006 30 20 IKED Cc1ccc(-c2cc(C(=O)N(C)Cc3ccc(C#N)cc3)c3cnn(C(C)C)c3n2)s1 498513411 YWJWFFUYLCZUCU-UHFFFAOYSA-N 429.549 5.193 30 20 IKED COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Sc1nc2c(c(-c3ccco3)c1C#N)CCC2 501540571 YWPYROYXGBEYNE-HZPDHXFCSA-N 447.560 5.069 30 20 IKED N#CCCCOc1cccc(NC(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)c1 502389055 XSUWZYOQCMMGLJ-UHFFFAOYSA-N 427.810 5.608 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(S[C@H](C(=O)N3CCCC3)C(C)C)n2)o1 504489143 OSHOMYWVSMBGFC-SFHVURJKSA-N 437.487 5.280 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@]1(Cc2ccc(Cl)cc2)CCOC1 505325988 QZNCKMXXGWLGCC-OPAMFIHVSA-N 429.973 5.258 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(-c4ccc(F)c(F)c4)s3)n2)cc1 505435169 SRBORJVWIOVNMT-HNNXBMFYSA-N 437.496 6.010 30 20 IKED C=CCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 508905168 YUJWJPFJIXQZCE-OAQYLSRUSA-N 449.917 5.050 30 20 IKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2Cl)C(C)C)nnc1-c1ccccc1F 510310139 YBKRNRCCWVIAPJ-IBGZPJMESA-N 444.963 5.679 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1cnn(-c2ccccc2)c1 510860295 QSEPWEBDPUMKNA-UHFFFAOYSA-N 437.503 5.509 30 20 IKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1nc2ccccc2[nH]1 511341246 NPZNRZFDKCKWIK-KRWDZBQOSA-N 425.492 5.091 30 20 IKED CC1CCC(OC2CCN(C(=O)c3cccc(COc4ccccc4C#N)c3)CC2)CC1 513224632 UUTYHMOYGFXACR-UHFFFAOYSA-N 432.564 5.337 30 20 IKED Cc1ccc([C@H](CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)N2CCCC2)o1 513876049 IMSZCABWPFQNCK-QFIPXVFZSA-N 430.508 5.211 30 20 IKED C=CCn1c(COc2ccccc2F)nnc1SCc1c(Cl)ccc2cccnc12 514563034 UQCTVBNEJPMKJV-UHFFFAOYSA-N 440.931 5.676 30 20 IKED C=CCn1c(SCC(=O)NC(C)(C)C(C)C)nnc1-c1ccc(Cl)cc1Cl 514850782 IFSZDEKVAOKABQ-UHFFFAOYSA-N 427.401 5.081 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nc(-c2ccncc2)cs1 517674101 AGYQDYNGXRXFEN-OAHLLOKOSA-N 444.491 5.499 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)s2)o1 518516667 RHJBIYJWMVCRIW-MRXNPFEDSA-N 430.514 5.505 30 20 IKED CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 518668922 UIUKEZYYCBNAQJ-UHFFFAOYSA-N 441.456 5.594 30 20 IKED C=CCOc1ccccc1CNC(=O)c1oc2ccccc2c1CSc1ncccn1 518922255 GCFOATWVARQBIV-UHFFFAOYSA-N 431.517 5.010 30 20 IKED Cc1cc(C(=O)Nc2ccccc2SCCC#N)c2cc(Br)ccc2n1 519406907 DTMGUJFKUJXZLZ-UHFFFAOYSA-N 426.339 5.564 30 20 IKED COc1cc(CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C2CC2)ccc1O 520907349 IYKAVKVIIWSQPS-UHFFFAOYSA-N 429.476 5.261 30 20 IKED Cc1cccnc1[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C(C)C 522429570 VCXMCTFYPGJCPK-DEOSSOPVSA-N 428.536 5.554 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H](c2ccccc2)c2nccs2)c1 522635008 UPGJHCNYFKDMGW-QFIPXVFZSA-N 445.931 5.980 30 20 IKED N#CCc1cccc(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)c1 522734578 YMHXIHHNLURLEZ-UHFFFAOYSA-N 439.830 5.176 30 20 IKED N#C[C@H](NC(=O)CCSc1ccc2c(c1)OCCCO2)c1c(Cl)cccc1Cl 524636528 DPDLBBAURUTORE-INIZCTEOSA-N 437.348 5.018 30 20 IKED C=CCC[C@H](NC(=O)N[C@@H](C)c1ccc([S@@](C)=O)cc1)c1ccc(C(F)(F)F)cc1 534441812 RXONOTHXPOTWCF-RBZFKLARSA-N 438.515 5.511 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)cc1 537105550 LNAZLWAKBNUXPW-FQEVSTJZSA-N 431.496 5.068 30 20 IKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc(OCC2CCOCC2)cc1 539770988 WXDQJRKLSCXSGO-UHFFFAOYSA-N 428.488 5.408 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)CNC1(c2c(Cl)cccc2Cl)CC1 540432463 OQEYCUXPZZYMFV-CQSZACIVSA-N 434.392 5.463 30 20 IKED C[C@H](CC#N)Sc1ccccc1NCc1cc2c(cc1Br)OCCCO2 540737619 NIPYWVSQTBHHAH-CQSZACIVSA-N 433.371 5.617 30 20 IKED COc1cc2c(cc1F)CN(C(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)CC2 540818963 XXYJCENJZUDSPW-OAQYLSRUSA-N 449.913 5.733 30 20 IKED N#CC1(CCC[S@](=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CCOCC1 541002538 XKAWKZUEYLYQDR-LJAQVGFWSA-N 442.528 5.178 30 20 IKED N#CCC1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Oc3ccccc3)cc2)CC1 543833970 HFPPYVSKJUXMBZ-UHFFFAOYSA-N 439.515 5.497 30 20 IKED CCO[C@@H](c1noc(-c2cncc(C(F)(F)F)c2)n1)c1ccc(F)cc1C(F)(F)F 554840580 YFSMANPAUIJMPE-CQSZACIVSA-N 435.299 5.434 30 20 IKED C=CCn1c(-c2cccc3cccnc23)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 558452050 HIYXSTKOBMRLDD-SFHVURJKSA-N 427.474 5.238 30 20 IKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C(=O)N[C@H]2CCOc3ccccc32)C(C)C)n1 602755570 IUTBTIGWZYKCGS-HKUYNNGSSA-N 449.498 5.037 30 20 IKED C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1cc2ccccc2o1 608785528 ZXILYISIEILCIT-SFHVURJKSA-N 427.479 5.917 30 20 IKED N#CCc1ccc(OC[C@@H](O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 608854225 QCHICBANZKPONC-JOCHJYFZSA-N 442.540 5.607 30 20 IKED CCc1c(C)sc(NC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)c1C#N 609032609 UABSSZAFBZXAGI-UHFFFAOYSA-N 438.574 5.025 30 20 IKED C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc(C#N)cc1 609080837 VQCRTNFSJHPARV-MRXNPFEDSA-N 430.895 5.545 30 20 IKED Cc1sc2nc(CCC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)nc(O)c2c1C 609176317 HHCZXFWFMWLGOY-UHFFFAOYSA-N 444.516 5.249 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)NCCc3coc(-c4ccc(F)cc4)n3)cc2)cc1 609517252 WQICXCOYRAVASF-UHFFFAOYSA-N 441.462 5.312 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 609556484 NVYCYXHVWYCDFV-OAQYLSRUSA-N 442.563 5.088 30 20 IKED CCN(C(=O)c1cc2ccccc2n1CC#N)[C@H](c1ccc(C(C)C)cc1)c1cccnc1 609577250 GFGLWDDFRREJNE-HHHXNRCGSA-N 436.559 5.935 30 20 IKED CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 609724236 ZPWNVXBXSWBAPQ-UHFFFAOYSA-N 440.286 5.868 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)c1C 610054040 JVGODWZCYRSMNC-AWEZNQCLSA-N 429.307 5.074 30 20 IKED COc1ccccc1-c1ccc([C@@H](C)N(C)CC(=O)N(CCC#N)c2ccccc2)cc1 610216262 AFVONHNGXSWYHF-OAQYLSRUSA-N 427.548 5.302 30 20 IKED CO[C@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1Cl 610791952 FLTLTUUHBVJNAM-XMMPIXPASA-N 449.938 5.494 30 20 IKED C=CCN(Cc1ccccc1)C(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 615754978 CLAYNDQCAQKNOV-UHFFFAOYSA-N 431.502 5.068 30 20 IKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 642157834 LCKJUYRFAVWWCB-CAFXUDQZSA-N 447.341 5.835 30 20 IKED Cc1nc(-c2ccc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2)cs1 669600316 CYDWCWIMEKQJKN-OAHLLOKOSA-N 443.475 6.237 30 20 IKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 674458627 IBQBHZASOPADOG-TXEJJXNPSA-N 435.286 5.083 30 20 IKED Cc1cc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)ccc1OCC(F)(F)F 674568384 IAUCNCKOSFCLLV-QWRGUYRKSA-N 438.290 5.141 30 20 IKED O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 684363155 MNOAOMYBMSKUFL-WDTWZTHCSA-N 440.403 5.671 30 20 IKED CCn1c(-c2cc(-c3ccc(C)cc3)nc3ccccc23)nn(CN(C)CC#N)c1=S 725771453 ADNIVDOUVQPQOJ-UHFFFAOYSA-N 428.565 5.037 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3c(ccc(Cl)c3Cl)C2)cc1 726230110 LMVXOYYGZREVJV-NRFANRHFSA-N 436.342 6.239 30 20 IKED CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N/[C@@H](C)c1cccs1 726419290 HSWXFLABCZEYGZ-JTAMSWEXSA-N 436.002 5.120 30 20 IKED CCOc1cc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)ccc1OC 726626667 JARPPRADNNPIRE-NVMNQCDNSA-N 430.938 5.025 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C)OC(=O)c1ccc(COc2ccc(C#N)cc2)o1 728108098 CMCKWAPUQFPXHY-QGZVFWFLSA-N 446.503 5.039 30 20 IKED N#CCCN(CC1CC1)Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccccc2)c1=S 728904506 LFFSDWZTMHSHHE-UHFFFAOYSA-N 438.000 5.366 30 20 IKED C=CCc1cc(CNCc2cc(Br)ccc2OC(F)F)cc(OC)c1OC 729683460 QCZOICZOJAHWMK-UHFFFAOYSA-N 442.300 5.086 30 20 IKED Cn1c([C@@H](C#N)C(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)nc2ccccc21 730394591 ICHOEWBAUZLTML-SBUREZEXSA-N 449.938 6.076 30 20 IKED Cn1c([C@H](C#N)C(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)nc2ccccc21 730688116 ZVFPHUCBERDNJC-HXOBKFHXSA-N 433.870 5.362 30 20 IKED Cc1ccc(CC(=O)Nc2cccc([C@@H](C)OC(=O)[C@H](C)Oc3ccc(C#N)cc3)c2)cc1 731301760 NPXZRJVYALPKHA-UXHICEINSA-N 442.515 5.120 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(Cc1ccco1)Cc1ccccc1O 731843896 BIBZNWIPUCFYAL-SFHVURJKSA-N 435.549 5.020 30 20 IKED FC(F)(F)c1cc(NN=Cc2c(Cl)ccc(Cl)c2Cl)nc(-c2ccccn2)n1 733080412 WQOYQFARNVHBLX-UHFFFAOYSA-N 446.647 5.964 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)c2sc3cc(C)ccc3c2Cl)ccc1OC 733229929 JFGDKCMTZBPWMC-OAHLLOKOSA-N 428.941 5.483 30 20 IKED C=CC[C@@H](NC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccncc1 734680094 QLGOOFYUGHRANL-RUZDIDTESA-N 437.547 5.393 30 20 IKED O=C1/C(=C/c2ccc(F)c(F)c2)CC(O)(C(F)(F)F)C/C1=C\c1ccc(F)c(F)c1 735792659 IBXSMKXZJCFXOU-ACFHMISVSA-N 430.319 5.366 30 20 IKED CSc1cccc(-n2c(C)cc(C(=O)Cn3c(C)nnc3-c3cccc(C#N)c3)c2C)c1 739437516 OUJCOTUSIDKAHT-UHFFFAOYSA-N 441.560 5.138 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(N3CCOC3=O)ccc2F)cc1Cl 741535609 ACJRVDFNIGUURT-HXUWFJFHSA-N 449.869 5.343 30 20 IKED C[C@H](C(=O)[C@@H](C#N)c1ccc2ccccc2n1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 744015451 RNZVKLXYFXGCEJ-NYDSKATKSA-N 429.520 5.313 30 20 IKED Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)s2)c(C)c1 746417350 WGPPDVKHFGISBZ-MRXNPFEDSA-N 441.915 5.489 30 20 IKED Cc1ccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1N1CCOC1=O 746719770 XQWHFJHANAYMFR-QFIPXVFZSA-N 426.476 5.251 30 20 IKED N#CCOc1cccc(CC(=O)Nc2ccc(Oc3cccc(F)c3)c3ccncc23)c1 760444227 YDDLEVJGOXSMBN-UHFFFAOYSA-N 427.435 5.250 30 20 IKED N#C[C@@H](C(=O)CCCCNC(=O)OCc1ccccc1)c1nc2cc(Cl)ccc2s1 761045945 HSHZUEGLCLLECV-KRWDZBQOSA-N 441.940 5.223 30 20 IKED COc1ccc([C@H](NC(=O)Nc2ccc(F)cc2OCC#N)c2ccccc2Cl)cc1 761669627 GTEDRSKIEGDQES-QFIPXVFZSA-N 439.874 5.301 30 20 IKED N#Cc1cccc([C@H]2CN(C(=O)c3ccccc3Nc3ccc(OC(F)F)cc3)CCO2)c1 762385226 RUAJGDJMWDYKKW-HSZRJFAPSA-N 449.457 5.117 30 20 IKED N#C[C@H](C(=O)CN(Cc1ccccc1)c1ccccc1)c1nc2ccccc2n1C(F)F 772641560 RHUXTQVZGYZWBU-HXUWFJFHSA-N 430.458 5.314 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(CC)cc2)[n+]2c(C)ccc(O)c2Cl)c1 777513905 IJMAYTLGWQIBOB-UHFFFAOYSA-O 449.983 5.509 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1 779502564 IJEKMDJGRHQHRG-UHFFFAOYSA-N 435.977 5.646 30 20 IKED CC[C@](C)(O)CN(Cc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 784429199 SPALPPOFMVGLHT-VPUSJEBWSA-N 427.548 5.537 30 20 IKED CC[C@H](C)n1c(SCC(=O)[C@@H](C#N)c2nccc3ccccc23)nnc1-c1ccccc1 792095546 LOFJVEJUOGEACO-LAUBAEHRSA-N 441.560 5.433 30 20 IKED COc1ccccc1-c1ncc(/C=C/C(=O)c2cnn(-c3cccc(Cl)c3)c2C)cn1 792883698 MILPXWAGVUERCS-ZHACJKMWSA-N 430.895 5.196 30 20 IKED CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)C[C@H](CC#N)c1ccccc1 793462299 SZIJPYHBGSBEGP-NRFANRHFSA-N 433.552 5.078 30 20 IKED CN(CCc1ccccc1)C(=O)c1ccccc1N(C)C(=O)C[C@@H](CC#N)c1ccccc1 793465614 WMIQZKDPEKPAPU-XMMPIXPASA-N 439.559 5.052 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1 796081950 ZVYFEROTBNGHNZ-QFIPXVFZSA-N 440.421 5.137 30 20 IKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 798817011 SQDRYBPIDXWLDZ-DOMZBBRYSA-N 438.833 5.127 30 20 IKED CCCCc1ccc(N2C(=O)/C(=C/c3ccc(OCC#N)c(OC)c3)SC2=S)cc1 799203249 LEAPZZLDJQCXAG-QNGOZBTKSA-N 438.574 5.346 30 20 IKED O=[S@](Cc1cc(F)c(C(F)(F)F)cc1F)Cc1ccc(Cl)nc1C(F)(F)F 806641760 JWQZXFDGFCHNJT-MHZLTWQESA-N 437.739 5.500 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](C)c2ccc(F)c3ccccc23)ccc1OC 806806973 RSGGZMFWJVLAJS-AEFFLSMTSA-N 435.499 5.229 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3cc(Cl)ncc3Br)c2)cc1 810349253 NERPLYCWYWKMEF-UHFFFAOYSA-N 428.673 5.414 30 20 IKED N#C[C@H](C(=O)COc1ccc2cc(Br)ccc2c1)c1cc(C(F)(F)F)ccn1 813219151 WYHFBQSULLFKGJ-KRWDZBQOSA-N 449.226 5.271 30 20 IKED CC(C)(C)c1cnc([C@@H](C#N)C(=O)C2CCN(c3noc4ccc(Cl)cc34)CC2)s1 816068034 HXVJSJMQKRQICQ-INIZCTEOSA-N 442.972 5.328 30 20 IKED C[C@H](CC(=O)N[C@@H](CCCC#N)c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 817319221 MDZLRABLELAYHO-KNQAVFIVSA-N 427.589 5.211 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3nc(-c4ccc(Cl)cc4)no3)n2)cc1 915099796 BNIRFRRINYKOQX-SFHVURJKSA-N 448.935 5.631 30 20 IKED CC(=O)N(c1nc(/C=C/C(=O)c2c(C)[nH]c3ccccc23)cs1)c1ccc(F)cc1F 915115089 WHESUBOPCNCOSV-CSKARUKUSA-N 437.471 5.792 30 20 IKED CN(CC(=O)Nc1cccc(Cl)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915350301 QHSLGFASRXIJFF-QFIPXVFZSA-N 432.911 5.098 30 20 IKED CC(=O)Nc1cccc(C(=O)/C=C\c2csc(-c3cccc(Br)c3)n2)c1 916137874 JIOSXQYCIUXECD-HJWRWDBZSA-N 427.323 5.427 30 20 IKED COc1cc(OC)c(C(=O)/C=C\c2cc(OC)c(OC)cc2Br)cc1Cl 916154639 QGLQMJCVDASNOE-WAYWQWQTSA-N 441.705 5.033 30 20 IKED COc1cc(C=NN(Cc2ccccc2)c2ccccc2)ccc1OC(=O)c1ccncc1 916249675 FRNDELLYWPQXCE-UHFFFAOYSA-N 437.499 5.350 30 20 IKED CC[C@H](C)c1ccccc1OCC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916887909 OXXOOUUKCFXLPY-KSSFIOAISA-N 432.492 5.241 30 20 IKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ccc(-c3ccccc3F)o2)cc1Cl 916938998 PBTYCACOGSGVPT-QGZVFWFLSA-N 440.858 5.028 30 20 IKED N#C[C@@H](C(=O)/C(=C/c1ccc(F)cc1)c1cccs1)c1nc2ccccc2n1C(F)F 917039843 FOHSFVBTWNLVKA-MOKGIYGOSA-N 437.446 6.049 30 20 IKED N#C[C@@H]1C(CN2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)=CC(=O)n2c1nc1ccccc12 917153427 YJGVYIWYFPXMOZ-OXQOHEQNSA-N 437.330 5.368 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2sccc2Br)cs1 917560661 USSPGCVWWDIKGP-YVMONPNESA-N 447.379 5.856 30 20 IKED CCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(C(C)C)cc2)cc1 917612314 PKICRBWCTOCQPI-UHFFFAOYSA-O 428.581 5.855 30 20 IKED CCOC(=O)Nc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 917802971 BMLSYKZMHHGWIS-UHFFFAOYSA-N 429.476 5.152 30 20 IKED COc1ccc(N2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)cc1 919915601 QRERRLYJEOLOSS-UHFFFAOYSA-N 442.519 5.022 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cccs2)[n+]2c(C)ccc(O)c2Cl)c1 1320752059 LWWQGYKAEOMQNN-UHFFFAOYSA-O 427.958 5.008 30 20 IKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)Cc3cccc4ncccc34)cc2)CCC1 1786345735 HSVDVOUGOIIEAI-UHFFFAOYSA-N 449.501 5.123 30 20 IKED CC1(C)CC(C(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)C1 1788648409 GAPMLLCLUXJMTK-ZHACJKMWSA-N 436.577 5.057 30 20 IKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5cccnc45)CCC3)cc2)c1 1790257277 RZBQZGSASPBWTF-UHFFFAOYSA-N 446.510 5.168 30 20 IKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4c(F)cc(Cl)cc4Cl)cc3)CCC2)CC1 1790721760 VYYOHNDGIFQRCX-UHFFFAOYSA-N 446.309 5.184 30 20 IKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccc(NC(C)=O)cc3)cc2)CCC1 1792134355 WAWUXDJJWIWKML-UHFFFAOYSA-N 445.563 5.161 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(NC(C)=O)cc3)cc2)CCC1 1792135336 BJMMWANSCBIRII-DEOSSOPVSA-N 445.563 5.161 30 20 IKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 1811951492 PWEGQCYLJOUECB-FTJBHMTQSA-N 445.607 5.293 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CCCCC2(F)F)n[nH]1 1815350871 LGRFJSULTCIGCL-SJLPKXTDSA-N 436.547 5.220 30 20 IKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccc(C)cc3s2)n[nH]1 1821527994 OKEIPSZRFPVFFE-FQEVSTJZSA-N 448.592 5.432 30 20 IKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)Sc2cccs2)CC1 1828779759 UVFAYFAVNSKSQL-NSHGMRRFSA-N 434.671 5.061 30 20 IKED CC(C)c1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 1830057943 ZSKBVSPYRLMKJE-AREMUKBSSA-N 443.591 5.229 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(C)CCCC3)CC2)c1 1832629456 RBCBRGNCPJQPIP-GBXCKJPGSA-N 435.612 5.127 30 20 IKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C3CCCC3)CC2)c1 1832634815 ZYTTZUIVHWMNMT-ONKPFOERSA-N 447.623 5.293 30 20 IKED COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1OC 15188202 CNZRHZKPDBHTJG-SOFGYWHQSA-N 444.459 5.019 30 20 IKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2nc3c(c(C)c2C#N)CCC3)cs1 22122405 MQWJPNAJOCVRAS-UHFFFAOYSA-N 448.617 5.801 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C(=O)Nc1cccc(C)c1C)C(C)C 32785422 CTLKITBWEOTMPP-HSZRJFAPSA-N 434.609 5.427 30 20 IKED Cc1ccccc1-c1nnc(SCCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)o1 45697485 QAGDWLDHUIXNRC-ZDUSSCGKSA-N 438.578 5.224 30 20 IKED N#Cc1cccc(COc2cccc(CNCc3cccnc3Oc3cccc(F)c3)c2)c1 60975922 HJBZKZQEZMNNHC-UHFFFAOYSA-N 439.490 5.753 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)CSCc1cc(-c2cccs2)on1 61165776 KZXQBFYGZRXVBP-UHFFFAOYSA-N 437.571 5.875 30 20 IKED N#Cc1ccc(NC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1Cl 61204097 LLDCVWVGUVTLHI-UHFFFAOYSA-N 447.966 5.297 30 20 IKED N#CCc1ccc(OC[C@H](O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 61717193 QCHICBANZKPONC-QFIPXVFZSA-N 442.540 5.607 30 20 IKED COc1cc([C@@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cc(OC)c1OC 117114536 JNRKQIHATFKVAJ-MRXNPFEDSA-N 448.544 5.226 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1c(Cl)cccc1Cl 303299146 ODIRLJITQWSQRC-CYBMUJFWSA-N 425.406 6.260 30 20 IKED C=CCN(C(=O)c1cc(Br)cnc1Cl)c1nc(-c2ccccc2)cs1 327332930 DMBGINYWPILBKP-UHFFFAOYSA-N 434.746 5.454 30 20 IKED C=CCN(Cc1ccccc1F)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 410085655 UGYKUYNRJVIEEX-KRWDZBQOSA-N 434.471 5.130 30 20 IKED Cc1cc(C#N)ccc1C(=O)Nc1ccc2c(c1)[C@H](NC(=O)c1ccc(C#N)cc1C)CCC2 410231857 IIGVCMMUHGAPFJ-AREMUKBSSA-N 448.526 5.107 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)C(=O)Nc2ccc(C3CCC3)cc2)cc1 427693765 GVNJIPGZXGVQEF-UHFFFAOYSA-N 439.515 5.176 30 20 IKED COc1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1Cc1ccccc1 428295429 KGVCSRHCKLUAPH-UHFFFAOYSA-N 436.515 5.315 30 20 IKED Cn1c(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)nc2cc(Cl)ccc21 428319514 JWMRVIGAQMKREW-UHFFFAOYSA-N 446.963 5.321 30 20 IKED CC(C)(NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc([N+](=O)[O-])cc1 431085377 QGWDOTKPRFXKLX-UHFFFAOYSA-N 444.491 5.297 30 20 IKED CN(Cc1cc(F)cc(F)c1)C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 434333245 JHDPOFYGTULGHY-MRXNPFEDSA-N 440.334 5.819 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H](C)Oc1cccc(F)c1 437964616 PYJIOGYTIJILMK-GOSISDBHSA-N 433.483 5.174 30 20 IKED Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 438635193 SREUKLQTESFSHS-UHFFFAOYSA-N 447.417 5.021 30 20 IKED C[C@H](Nc1ccc(Oc2ccc(Cl)cn2)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 439643550 QYYTYYFTCSEYDG-INIZCTEOSA-N 438.890 5.414 30 20 IKED N#CCC[C@H](NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1ccccc1 439678873 RNSOHHQNGIZUII-INIZCTEOSA-N 427.291 5.351 30 20 IKED CCCc1c(NC(=O)Nc2cc(-c3ccccc3C)nn2C)cnn1-c1cccc(C#N)c1 439697086 SHGAKBBKSXZGRY-UHFFFAOYSA-N 439.523 5.049 30 20 IKED Cc1ccc(-c2nc(C)c([C@@H](C)N(C)Cc3nnc(-c4cccc(C#N)c4)o3)s2)cc1 441479269 VBRYRJUYNJHKQX-QGZVFWFLSA-N 429.549 5.542 30 20 IKED Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1cn(CCCC#N)c2ccccc12 444048214 VHVURYYPIBPWLE-HXUWFJFHSA-N 442.563 5.520 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)NC1(c2cccc(C(F)(F)F)c2)CCCCC1 460443501 MTNRBTJTYYSFLJ-UHFFFAOYSA-N 445.485 5.203 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(OCc4ccccn4)cc3)cc2)c1 460885639 SRCDJVCIYZKWCJ-UHFFFAOYSA-N 435.483 5.364 30 20 IKED CC[C@@H](C)N(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccc(C(N)=O)cc1 463599903 INLGAGJAFRTZTQ-GOSISDBHSA-N 427.504 5.089 30 20 IKED N#Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1Oc1ccc(C(F)(F)F)cc1 464300895 VKBORDZUKWXZJU-UHFFFAOYSA-N 427.338 5.530 30 20 IKED CC[C@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1nc(C(F)(F)F)cs1 465267442 YLVRFFZQCZKCGN-SFHVURJKSA-N 445.466 5.494 30 20 IKED COc1ccccc1N(C(C)=O)c1nc(CSc2ccc(C#N)cc2Cl)cs1 465390571 YFCPQFUAFPASBO-UHFFFAOYSA-N 429.954 5.654 30 20 IKED Cc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1C(=O)N(C)C(C)C 470432384 FCOPQJZUVTVTIW-UHFFFAOYSA-N 443.572 5.751 30 20 IKED CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)o1 470562503 INCSBRYYUYOUSL-WZONZLPQSA-N 448.567 5.430 30 20 IKED COc1cccc2c1CC[C@H]2NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 471474676 DEADYJCBKLQGBV-XMMPIXPASA-N 429.495 5.105 30 20 IKED COCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(Cl)c1 473526717 SCIINJKMSQNHAL-AWEZNQCLSA-N 448.878 5.257 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 473794163 JTWDDLFKOJJSIL-UHFFFAOYSA-N 441.466 5.509 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)CCNC(=O)Nc1ccc(Br)cc1 476132923 FHKLFEMQJSEZJJ-UHFFFAOYSA-N 444.373 5.451 30 20 IKED C=CCn1c(S[C@@H](C)C(=O)c2c(F)cc(F)cc2F)nc2sc(C)c(C)c2c1=O 476706208 JGKWPOFGDPFBFX-NSHDSACASA-N 438.496 5.042 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H](Nc4ccccc4)C3)c2)cc1 478226127 BLJCJOCCJYFENK-VWLOTQADSA-N 440.547 5.440 30 20 IKED CCN(Cc1c(F)cccc1F)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481599480 SZBUGCXUKQOLLJ-UHFFFAOYSA-N 439.437 5.609 30 20 IKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)[C@@H](C#N)c3cnc4ccccc4n3)o2)cc1 483215748 RQZUYYLQTVEWCD-NRFANRHFSA-N 430.467 5.750 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1nc(-c2ccccc2F)cs1 488314507 ODWRHYPGBIHFRG-AWEZNQCLSA-N 426.542 5.523 30 20 IKED Cc1ccccc1[C@@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)C1CC1 490624823 VXCWOCYYMXSUBT-IBGZPJMESA-N 435.578 5.283 30 20 IKED Cc1cccc(-c2nnc(-c3ccc(C(=O)N(Cc4ccc(C#N)cc4)C4CC4)cc3)o2)c1 498330503 RGSXETSTJZEWEV-UHFFFAOYSA-N 434.499 5.389 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2nc3c(F)c(F)ccc3s2)cc1C 500651646 WCQZSQGRDLCNMH-UHFFFAOYSA-N 437.475 5.221 30 20 IKED C=CCn1c(S[C@H](C(=O)N2CCCCC2)c2ccccc2)nnc1-c1cccc(C)c1 501240993 NYQSIPLMFCGENK-QFIPXVFZSA-N 432.593 5.285 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(CN4CCCC4)cc3)c2)cc1 501418300 CPJAOLJSWBVWLW-UHFFFAOYSA-N 425.532 5.180 30 20 IKED CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C(C)C)cc1 501678994 CNBGLKGWVYEBHW-JOCHJYFZSA-N 446.576 5.257 30 20 IKED C[C@@H](Oc1ccccc1C#N)C(=O)N(Cc1ccc(F)cc1)c1nc2ccccc2s1 501781498 RJSQOGKOWFQQRB-MRXNPFEDSA-N 431.492 5.308 30 20 IKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(COC3CCCCC3)c2)o1 502335143 WOGPDPYTWNHKDF-UHFFFAOYSA-N 430.504 5.832 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCOC[C@@H]1c1nc2ccccc2s1 505338632 IAINLMLUGHQYLD-CRAIPNDOSA-N 438.578 5.296 30 20 IKED CO[C@@H](CSCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1 509132679 SAEDURXZRUTIBU-BEFAXECRSA-N 435.014 5.651 30 20 IKED Cc1c(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)sc2ccc(Br)cc12 509658537 ONHUDRVJSGSIQE-YLJYHZDGSA-N 433.371 5.040 30 20 IKED COc1ccc(Cl)cc1CN(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511365140 QIOPTVVNERECKI-UHFFFAOYSA-N 449.938 5.658 30 20 IKED Cn1ccnc1Sc1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1 513113286 MFWWZFIQVVRKHF-UHFFFAOYSA-N 440.528 5.274 30 20 IKED C=CCn1c(SCc2cnc(C)s2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 513242104 OLUDINGDGFMJEX-UHFFFAOYSA-N 443.594 5.816 30 20 IKED C[C@H](OCCCNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccccc1 514030046 ZZHPKUYBZPULEK-NRFANRHFSA-N 445.538 5.577 30 20 IKED C=CCn1c(SCC(=O)N(Cc2cccc(F)c2)C(C)(C)C)nnc1-c1ccccc1 515421439 CSSFRGIBWWQSRF-UHFFFAOYSA-N 438.572 5.190 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(-c2cccc(Cl)c2)c1 515653760 MDPCSLMXELDXHP-UHFFFAOYSA-N 429.867 5.145 30 20 IKED Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 516069661 AJRNRYWYNYNEGK-MRXNPFEDSA-N 435.597 5.657 30 20 IKED COc1cccc(C[C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 517678205 FBOLCLHLMVBLBQ-QFIPXVFZSA-N 427.504 5.598 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1coc(-c2cccs2)n1 518665385 CHHFRCQHGTWCGD-CQSZACIVSA-N 429.592 5.669 30 20 IKED Cc1nc2ccccc2n1CCCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 520600905 UIHGQKNPKGECKN-UHFFFAOYSA-N 425.492 5.221 30 20 IKED CC1CCN(C[C@H]2CCCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)C2)CC1 521117477 SMJQEIBNXWLXCM-HSZRJFAPSA-N 431.580 5.129 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 521258959 GWULGDFKRCXNFP-OXJNMPFZSA-N 447.526 6.716 30 20 IKED COc1ccc(CC[C@@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 521460268 SMVNPIMFPPTVGM-HXUWFJFHSA-N 443.547 5.483 30 20 IKED Cc1nc(CSc2ccccc2C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cs1 521512750 GYPQKVIOVQXTLI-UHFFFAOYSA-N 449.601 5.299 30 20 IKED CCN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@@H](C)c1cccc(C(F)(F)F)c1 522677155 GHANQHVMVJOHDF-SFHVURJKSA-N 445.485 5.342 30 20 IKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 523447712 ZCKQMBVFTPERGH-UHFFFAOYSA-N 449.576 5.249 30 20 IKED N#Cc1ccc(CSCC(=O)Nc2cccc(Oc3ccnc4ccccc34)c2)cc1 524507032 YWZYKLIYLUUOQO-UHFFFAOYSA-N 425.513 5.771 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Nc2ccc(O[C@H]3CCOC3)cc2)cc1 524830255 MSSYDHCFKANUMI-QFIPXVFZSA-N 445.475 5.171 30 20 IKED COc1ccccc1[C@H](NC(=O)CSCc1ccc(C#N)cc1)c1ccccc1Cl 525031803 RAPVMNLSTXIXSO-XMMPIXPASA-N 436.964 5.359 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc2ccccc2o1 530770920 GDFAXJJHHGQUFE-UHFFFAOYSA-N 426.441 5.258 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CN(CCC#N)CC(C)(C)C)cs1 535964351 REGCVXFEENSROF-UHFFFAOYSA-N 438.519 5.608 30 20 IKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc2c1CN(c1ccccn1)C2 536082710 VJXINOJVAUVTGX-UHFFFAOYSA-N 425.536 5.164 30 20 IKED Cc1nc([C@H](NCc2cccc(OCc3cccc(C#N)c3)c2)c2ccc(Cl)cc2)no1 536397347 VGRGEBLCIWMMAD-XMMPIXPASA-N 444.922 5.361 30 20 IKED O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)[C@@H]1CCC[C@H](C(F)(F)F)C1 537688719 VFZCDOJPOPDHBA-BDAKNGLRSA-N 429.311 5.524 30 20 IKED COc1cc2c(cc1F)CN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)CC2 538615573 RHSANDKWNDYGMW-UHFFFAOYSA-N 445.494 5.070 30 20 IKED O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cc(O)nc2ccc(F)cc12 539478579 IQCCVZAQZDHPIH-INIZCTEOSA-N 432.295 5.132 30 20 IKED Cc1c(CN2CCSCC2)cccc1NC(=O)c1ccccc1Oc1ccccc1C#N 539756653 KWAICRCGUAHYHP-UHFFFAOYSA-N 443.572 5.460 30 20 IKED CSc1cccc(NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1C 540400391 FZDVYXNXADGCPG-UHFFFAOYSA-N 427.580 5.376 30 20 IKED Cc1sc([C@@H](C)NC(=O)Nc2cc(C)n(CCC#N)n2)nc1-c1ccc(Cl)cc1 540816863 PRFDFJCSBNTFIH-CYBMUJFWSA-N 428.949 5.073 30 20 IKED COC(=O)c1cccc(CN[C@@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)c1C#N 541644605 JUPBJULUCWKHFO-ZDUSSCGKSA-N 425.941 5.281 30 20 IKED C[C@@H](NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)c1ccc(-c2ccncc2)cc1 543885461 SRZNBHXHBQFQCR-MRXNPFEDSA-N 442.910 5.342 30 20 IKED Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](c1nc(-c3cc(F)ccc3C(F)(F)F)no1)CC2 545569050 VPAUGHRLBYVJHC-VIFPVBQESA-N 446.326 5.284 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](c2ccsc2)C1 549685695 RULQMNVNNRFACT-UGKGYDQZSA-N 438.597 5.250 30 20 IKED CC(=O)Nc1ccc(F)c(C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 556493225 UZWAZZUHGGIJAT-UHFFFAOYSA-N 436.327 5.094 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1scc(C2CC2)c1C(=O)OCC 558381507 VMNJWBLMDVYVOX-UHFFFAOYSA-N 430.574 5.190 30 20 IKED N#CC1(c2ccccn2)CCN(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)CC1 558594129 DZEBKEQBHFBFEG-UHFFFAOYSA-N 443.359 5.209 30 20 IKED CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 559617734 ATRQOFMCIZYWPI-KMFTYDHNSA-N 445.485 5.047 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H](c3ccco3)N3CCCCC3)cc2)c1 574541660 QEHCHVVXRRODMO-QHCPKHFHSA-N 430.508 5.292 30 20 IKED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC(c2ccc(Cl)cc2Cl)CC1 574908620 RYIIEDIPKHHCPQ-UHFFFAOYSA-N 433.383 5.059 30 20 IKED N#Cc1cc(F)c(C(=O)NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)c(F)c1 576214622 AVWRKOOEYVLZDT-OAQYLSRUSA-N 426.850 5.178 30 20 IKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2ccccc2)nc1O 603737503 LPOADCKMWOCGHZ-UHFFFAOYSA-N 437.474 5.620 30 20 IKED COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 604378031 AKTJJNCZCBYJTD-UHFFFAOYSA-N 428.897 5.122 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)cc1 608843242 LAMAFHWBLFURPV-UIOOFZCWSA-N 443.522 5.329 30 20 IKED CN(Cc1cccc(C#N)c1)C(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 609020772 WUNRLRGEIAKSQY-UHFFFAOYSA-N 428.879 5.201 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(Nc2ccccc2)s1 609370918 JJYRGYNODIKIGL-AWEZNQCLSA-N 441.607 5.264 30 20 IKED N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(OCc4ccncc4)cc3)cc2)cc1 609504873 QQPMVIRGPDDCJJ-UHFFFAOYSA-N 435.483 5.771 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)CC1 609508848 FYOYSRKRLFZNBO-UHFFFAOYSA-N 445.563 5.197 30 20 IKED C[C@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1C(=O)c1ccc(C#N)nc1 609641488 YXIKXYRPHVLFAM-YWZLYKJASA-N 426.907 5.437 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3nn(C(C)C)cc3c2)cc1C 609880776 SNACEUOQGHBJEN-UHFFFAOYSA-N 426.524 5.264 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N[C@@H](c3ccc(F)cc3)C3CCC3)c2)cc1 609945334 GEYSXHIQHVYHPH-XMMPIXPASA-N 443.478 5.086 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2nc(C(F)(F)F)cs2)cc1 610141983 YOXKOJWNGWUKCK-UHFFFAOYSA-N 448.426 5.156 30 20 IKED CCOc1ccc(NC(=O)c2ccc(NC(=O)N[C@H](C)c3cccc(C#N)c3)cc2)cc1 610318452 PLHCHMNYZAMRSE-QGZVFWFLSA-N 428.492 5.092 30 20 IKED CN1CCC[C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@H]1c1cccs1 610320041 OHYGNWLJIDIXGV-MBSDFSHPSA-N 447.564 5.012 30 20 IKED CC(C)c1oc([C@H]2CCCN2C(=O)N[C@H](C)c2cccc(C#N)c2)nc1-c1ccccc1 610500030 KKVAFSUSEIWWTJ-XMSQKQJNSA-N 428.536 5.944 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3Cc4ccccc4C(F)(F)C3)c2)cc1 610922224 NFSWKBYIHLFKAM-UHFFFAOYSA-N 433.458 5.471 30 20 IKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](C[C@H]3CCOC3)c3ccccc3)cn2)cc1 611075185 BGZKQOKWFZPUPR-XXBNENTESA-N 428.492 5.035 30 20 IKED C=CCn1c(=O)c2ccccc2n2c(S[C@@H](C)c3ccc(Cl)c(Cl)c3)nnc12 615345556 UXTYPMBCTRATHG-LBPRGKRZSA-N 431.348 5.390 30 20 IKED COCCCC[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccccc1 619312268 MESRRJWAMWECSG-HSZRJFAPSA-N 430.508 5.425 30 20 IKED COc1ccc(-c2nnc(S[C@H](C#N)c3ccc(Cl)cc3)n2C[C@H]2CCCO2)cc1 619863773 CIMKEMDGMVMYHB-WOJBJXKFSA-N 440.956 5.143 30 20 IKED C=CCn1c(S[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)nnc1-c1ccc(F)cc1 643094035 RBENUGDSSCBKLP-CQSZACIVSA-N 439.491 5.621 30 20 IKED Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 678208327 ORHXZTNVMXBLEQ-BETUJISGSA-N 441.366 5.330 30 20 IKED O=C(CCC(F)F)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 684399710 GMSOONTWRCYRDC-UHFFFAOYSA-N 432.336 5.755 30 20 IKED Cc1ccc([C@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)N2CCCC2)o1 726074498 QASVMUKIBRLWRY-RPWUZVMVSA-N 428.536 5.202 30 20 IKED N#Cc1cnc2ccccc2c1OCCOC(=O)c1ccc(C2SCCCS2)cc1 726366085 LKPPPRFHGFEPOB-UHFFFAOYSA-N 436.558 5.211 30 20 IKED C#Cc1cccc(NC(=S)N[C@@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)c1 726483866 YLUGUVMHKJOKKN-QHCPKHFHSA-N 430.573 5.264 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)c(C)c(C)c2C)[n+]2cccc(C)c2)c1 726572686 JEMNBVJISLQVGB-UHFFFAOYSA-O 427.593 5.821 30 20 IKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)CCCC3)[n+]2cccc(C)c2)c1 726573112 MCQOZQWVKGXDGQ-UHFFFAOYSA-O 425.577 5.466 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccccc3C(F)(F)F)n2)cc1 727232904 ALUWFBGTHMQJGV-ZBFHGGJFSA-N 430.451 5.781 30 20 IKED N#CCCn1cc(C(=O)COC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)c2ccccc21 727556385 ZTVVBTZSNNSLTM-UHFFFAOYSA-N 440.421 5.031 30 20 IKED C/C(=C/C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1Cl 727628333 VBAWWWHGYQGHMS-DNCJFXNASA-N 430.891 5.883 30 20 IKED CC(C)c1ccc(-c2nc(CC(=O)Nc3cc(C#N)ccc3OC(F)F)cs2)cc1 728014606 QLJXPDZVDLDEGM-UHFFFAOYSA-N 427.476 5.588 30 20 IKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1 730396101 MWFWEYLZHARBGI-OAQYLSRUSA-N 427.435 5.013 30 20 IKED C#CCOc1cccc(N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c1 731040096 AHAXVIFWCHPASG-JOCHJYFZSA-N 435.867 5.052 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 731400020 KGVHNHABKUDCNH-OPAMFIHVSA-N 427.545 5.197 30 20 IKED N#C[C@H](NC(=O)c1ccccc1COc1cccc(C=O)c1)c1cccc(Cl)c1Cl 731638724 KOIHDJYEEXSDAM-NRFANRHFSA-N 439.298 5.380 30 20 IKED Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 732377844 XLDYOMQJRDLFDW-LJQANCHMSA-N 428.488 5.346 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)CSc2cc(Cl)ccc2Cl)ccc1OC 733230538 QUAWIRLIKLURMC-OAHLLOKOSA-N 439.364 5.091 30 20 IKED CC(C)(C)c1ccc(N=C2NC(=O)[C@H](CC(=O)Nc3ccccc3C(F)(F)F)S2)cc1 736641196 MEIMZUXZPUCVKP-KRWDZBQOSA-N 449.498 5.251 30 20 IKED COc1ccc([C@H](NC(=S)Nc2ccccc2C#N)c2ccccc2Cl)c(OC)c1 743029339 WEOUMGLIVHQDOZ-JOCHJYFZSA-N 437.952 5.305 30 20 IKED N#Cc1cccc(-c2nnc(COC(=O)c3ccc(COc4ccc(Cl)cc4)cc3)o2)c1 744519746 DGWCOSJJMGHXOG-UHFFFAOYSA-N 445.862 5.198 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1 746256437 RSESVTYQHQEJEG-RDPSFJRHSA-N 448.469 5.357 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC[C@H](C)c2cccc(C(F)(F)F)c2)c1 746416847 AGXNTFCNSSUEKE-JXFKEZNVSA-N 433.474 5.379 30 20 IKED C[C@@H](c1ccccc1)n1c(-c2ccccc2)nn(CN(CCC#N)CC(F)(F)F)c1=S 749955626 OYAXHJALUYHRJW-KRWDZBQOSA-N 445.514 5.426 30 20 IKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCCc1cccc(Br)c1 761038747 SNYLWTUSIPMYPN-FQEVSTJZSA-N 441.369 5.244 30 20 IKED COC(=O)C1C/C(=C\c2ccc(O)c(Cl)c2)C(=O)/C(=C/c2ccc(O)c(Cl)c2)C1 761486537 QELZAQZXMXMVNB-MKFXEVHTSA-N 433.287 5.024 30 20 IKED N#Cc1cccc([C@@H]2CN(C(=O)N[C@H](c3ccccc3)c3cc4ccccc4o3)CCO2)c1 761655357 BQKJXTKPZWPSTK-IZZNHLLZSA-N 437.499 5.177 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(-c3ccccc3)o2)cs1 761803726 FGZSSHJTRFRBDI-JLHYYAGUSA-N 428.513 6.292 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 764238650 XPLWJWSZHFVVFG-GOSISDBHSA-N 439.537 5.240 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1 768867088 AEZWCKUSPWXECT-VXKWHMMOSA-N 441.428 6.296 30 20 IKED Cn1c(CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)nnc1-c1ccc(Cl)cc1 769887236 SBPUAIVNNTVPSC-UHFFFAOYSA-N 447.901 5.337 30 20 IKED COc1ccc([C@H](NC(=O)Cc2ccccc2CC#N)c2ccc(C(F)(F)F)cc2)cc1 779059949 IVPMIOCZZAPRED-XMMPIXPASA-N 438.449 5.228 30 20 IKED COc1cc(CNc2ccccc2O[C@@H](C)C#N)ccc1OCc1ccc([N+](=O)[O-])cc1 779989756 ZKUNVCUJKQXXQC-KRWDZBQOSA-N 433.464 5.085 30 20 IKED N#C[C@@H](C(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2s1 780303700 WQBRCSYARSDOSB-ZDUSSCGKSA-N 444.356 5.589 30 20 IKED COc1cccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)N=C2SCCCCC#N)c1 780755226 JVLKMTLBGQKQCN-XQNSMLJCSA-N 433.577 5.989 30 20 IKED N#Cc1ccc(C2(C(=O)NCCCCCCc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 781039928 COZIDAYKLCDIAD-UHFFFAOYSA-N 448.954 5.213 30 20 IKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cnc(-c3ccco3)s2)c1 782178895 IGYJKXBKZHMVDY-UHFFFAOYSA-N 439.566 5.176 30 20 IKED Cc1ccnc(OC2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)c1 782553295 OLKVRSSDLGYTAW-DEOSSOPVSA-N 426.520 5.121 30 20 IKED CC(C)(C)N1CC[C@H](NC(=O)c2ccccc2SCC#N)[C@@H]1c1ccc(Cl)c(F)c1 782753911 PGCYVFZRIGIZBK-FPOVZHCZSA-N 445.991 5.439 30 20 IKED CC(=Nn1c(C)nc2scc(-c3ccc(Cl)cc3)c2c1=O)c1cnn(C(C)C)c1C 787155715 UYSBLAOHVRSADK-UHFFFAOYSA-N 439.972 5.445 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 787433301 KELIMNMSDMYYQR-HXOBKFHXSA-N 431.923 5.962 30 20 IKED N#Cc1ccc(N2CCC(C(=O)N3CCC[C@@H]3c3ccccc3C(F)(F)F)CC2)c(F)c1 796086524 HAZRBPCTYBNGNQ-OAQYLSRUSA-N 445.460 5.296 30 20 IKED CC(C)(C)OC(=O)N1CCCc2cc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)ccc21 796628200 HRNNQJLQNBNFAA-FQEVSTJZSA-N 427.504 5.413 30 20 IKED COc1cccc(C(=O)CCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 796765888 UASXERYKXKANEW-LJQANCHMSA-N 438.936 5.702 30 20 IKED CCc1onc(-c2ccc(Br)cc2)c1C(=O)Nc1ccccc1O[C@H](C)C#N 796924245 RJGKOFBGJXTPTL-CYBMUJFWSA-N 440.297 5.210 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)COc2ccc(Br)cc2Cl)s1 797569760 WFDKAWBVJVNYJJ-LLVKDONJSA-N 427.751 5.112 30 20 IKED N#Cc1ccccc1/C=C\C(=O)Oc1ccc(NC(=O)c2ccccc2Br)cc1 799761830 PORGEBZCNREPLM-ZROIWOOFSA-N 447.288 5.192 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)c1 801018915 YNAPJVJVHOGTAP-DENIHFKCSA-N 449.448 5.167 30 20 IKED CN(Cc1nc(-c2cccs2)no1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 806200676 KEIVTQASKXYBOW-IBGZPJMESA-N 429.505 5.117 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cc3c(C)nn(C)c3s2)cs1 806578856 MTHWYFRGNTXZCL-YFHOEESVSA-N 436.562 5.289 30 20 IKED CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl 806677649 UJBPMNPFUAVUGG-GOSISDBHSA-N 435.742 5.292 30 20 IKED N#Cc1cc(F)c(C(=O)N[C@H](c2c[nH]c3ccccc23)C(Cl)(Cl)Cl)c(F)c1 808942108 LOSNPGDPKBPPSU-MRXNPFEDSA-N 428.653 5.159 30 20 IKED Cc1ccc2sc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc2c1 810529729 MZLTUDJLZZMXFO-IBGZPJMESA-N 426.497 5.963 30 20 IKED Cc1nc2sccc2c(=O)n1N=Cc1ccc(-c2ccc(Br)cc2)s1 863967607 PCWVKYQBNBFXDS-UHFFFAOYSA-N 430.352 5.140 30 20 IKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2)o1)c1nc2cc(C(F)(F)F)ccc2s1 915104379 PHXSXVWBBSJLAS-OAHLLOKOSA-N 441.434 5.779 30 20 IKED CC(=O)N[C@@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1 915181348 ZBPMXESGTQIQBB-ZEQRLZLVSA-N 431.923 5.201 30 20 IKED CCN1C[C@@H](CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)Oc2ccccc21 915352957 PLCZUCCDLDLVAU-DNQXCXABSA-N 440.547 5.093 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)/C=C\c3ccc(Br)o3)c2)cc1 916449660 JWRVWRVYNTZFMW-LUAWRHEFSA-N 437.293 5.339 30 20 IKED Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1-n1cccc1 916911744 XWGLCEUWAWIHPZ-QFIPXVFZSA-N 435.483 5.539 30 20 IKED C=CCn1c(SC[C@@H](O)c2cccc(C(F)(F)F)c2)nc2sc(C)c(C)c2c1=O 916982127 SZIIIAHPOIJGLQ-OAHLLOKOSA-N 440.512 5.105 30 20 IKED C=CCn1c(SCC(=O)c2ccccc2C)nnc1-c1ccc(Br)cc1 917185033 RHCDCYKDJZBKQI-UHFFFAOYSA-N 428.355 5.177 30 20 IKED Cc1cc(-n2c(C)cc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c2C)no1 918659983 XUGMZDYBWBTYLY-UHFFFAOYSA-N 440.503 5.288 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 920105414 GDRRMCHVQBTFHJ-GOSISDBHSA-N 431.879 5.309 30 20 IKED O=C(Cc1cc2ccccc2c(O)n1)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1559000282 VJWSXEZVPXHOAV-UHFFFAOYSA-N 446.322 5.411 30 20 IKED C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)cc2)CCC1 1786179968 FIPFQTYWYQZHPH-LEWJYISDSA-N 436.502 5.006 30 20 IKED Cc1ccnc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)c1 1788713665 WIJCVJCMXGMGBS-IBGZPJMESA-N 438.531 5.079 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc4ccccc4n3C)cc2)CCC1 1788886767 JJWNTTSZJNKJAQ-UHFFFAOYSA-N 427.548 5.120 30 20 IKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@@H]4c4ccc(Cl)cc4)cc3)CCC2)C1 1789152709 VTBHIUQPPUOMRB-DHIUTWEWSA-N 434.967 5.544 30 20 IKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4c(C)cccc4[nH]3)cc2)CCC1 1789274145 CPXNONCIXQQQQG-SFHVURJKSA-N 446.551 5.025 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@@H]4C4CC4)CCC3)cc2)c(Cl)c1 1790765819 GGCPXSUBGCYNAN-NHCUHLMSSA-N 433.939 5.005 30 20 IKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CCC2)cc1 1791588848 BRTCUWDCETWZIG-UHFFFAOYSA-N 441.453 5.511 30 20 IKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1-c1ccc(C)cc1 1800606287 XQXOEFQZFYGJEN-BKFWDETESA-N 428.576 5.107 30 20 IKED C#CCCCCC(=O)N1CCC2(CCCN(C(=O)[C@H](c3ccccc3)[C@H](C)CC)C2)CC1 1809158624 HGAIKEUZYPQHCS-BVAGGSTKSA-N 436.640 5.241 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](CCC)n2cccc2)[nH]n1 1819305862 PTYOBEWZOWBMAM-CEMLEFRQSA-N 437.588 5.013 30 20 IKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OC(C)(C)C)cc3)CC2)C1 1823701135 APUWIDXFVNWXKM-DEOSSOPVSA-N 438.612 5.063 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ncccc23)CC1 1828026146 XSGOJCUWBZMELF-VWLOTQADSA-N 447.623 5.461 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(F)c2F)CC1 1828827482 NWHVRCPJJNEOTQ-REWPJTCUSA-N 444.566 5.275 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3cc[nH]c23)CC1 1828828053 CQBJTWJAUGQEER-UPVQGACJSA-N 433.596 5.170 30 20 IKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(Cl)s2)CC1 1829396842 CIMAJNQOLMMYCW-QGZVFWFLSA-N 438.037 5.022 30 20 IKED Cc1cc(Cl)ccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1 1829950724 MGYOPHLFNMFUBJ-XMMPIXPASA-N 449.982 5.067 30 20 IKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(F)cc2F)CC1 1830511405 QSRKYMWLOYGZSW-MBSDFSHPSA-N 448.529 5.106 30 20 IKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(C)cc3s2)CC1 1831852096 PDDCNBSSWMUTKU-QFIPXVFZSA-N 436.621 5.247 30 20 IKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2cccc(O)c2)cc1 11127261 QYCGUHYDGPGNHJ-UHFFFAOYSA-O 441.576 6.007 30 20 IKED C=CCn1c(SCc2ccccc2C(F)(F)F)nnc1[C@@H]1COc2ccccc2O1 23880174 JZMIVOBITWFBLS-SFHVURJKSA-N 433.455 5.288 30 20 IKED C=CCn1c(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)nnc1-c1ccoc1C 25520280 OLYBSGOZYSCTAC-UHFFFAOYSA-N 447.442 5.394 30 20 IKED COc1cc(C#N)ccc1OCCCC(=O)Nc1nc(-c2ccc(Cl)s2)cs1 60613391 YGVCBKDZNRNQPV-UHFFFAOYSA-N 433.942 5.203 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1csc(-c2ccccc2F)n1 64291075 QHZXORKOGSDAEO-UHFFFAOYSA-N 430.464 5.569 30 20 IKED COc1cccc([C@@H](CNc2c(F)cc(C#N)cc2F)c2c[nH]c3ccccc23)c1OC 111219682 VTPHAEJKKLHNHS-LJQANCHMSA-N 433.458 5.579 30 20 IKED Cn1c([C@H](C#N)C(=O)c2csc(-c3cc(Br)cs3)n2)nc2ccccc21 195580113 CIOHZQPARILSPZ-LLVKDONJSA-N 443.351 5.011 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](c2cccs2)C(C)(C)C)nnc1-c1ccccc1F 195677285 RATWQXMSZMSAME-IBGZPJMESA-N 444.601 5.327 30 20 IKED C=CCn1c(SCc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)nnc1C1CC1 247941836 NLOGUJSAVHRXJN-UHFFFAOYSA-N 446.001 5.428 30 20 IKED Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)nc12 429578561 NTGUNKMCJQCICL-QGZVFWFLSA-N 427.851 5.074 30 20 IKED N#C[C@H](C(=O)c1ccn(-c2c(F)cccc2F)n1)c1nc(-c2c(F)cccc2F)cs1 429722976 JNLNCPOCFDYROB-LLVKDONJSA-N 442.397 5.042 30 20 IKED Cc1nn(-c2ccc(C(=O)Nc3ccc(C#N)cc3Cl)cc2)c(C)c1Br 430357782 KPZYMZDHEYZQMV-UHFFFAOYSA-N 429.705 5.029 30 20 IKED CCNC(=O)N(C)c1cccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 433498120 MYKIKHWMOSHZJV-GOSISDBHSA-N 441.535 5.274 30 20 IKED CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 437051244 MEHYFOJZARYICU-XMMPIXPASA-N 439.559 5.139 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1cnc(C(C)C)nc1 440982491 XNFCDKRAEGSPMI-UHFFFAOYSA-N 429.524 5.023 30 20 IKED C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(OC(F)F)cc1)c1ccc(C(F)(F)F)cc1 442041807 DVGWJXHDFOCKEW-QGZVFWFLSA-N 442.384 5.069 30 20 IKED N#CCCCn1cc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c2ccccc21 444037281 MKHVFBHLYBWSTO-UHFFFAOYSA-N 428.536 5.004 30 20 IKED O=C1N[C@H](CC(F)(F)F)C(=O)N1c1ccc(Oc2ccccc2C(F)(F)F)c(F)c1 445949723 PJWNCPJNIXMJOZ-GFCCVEGCSA-N 436.283 5.014 30 20 IKED Cc1c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2nn1C 464071150 OSFZDPXCYXMNMJ-UHFFFAOYSA-N 427.483 5.127 30 20 IKED CC[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nc(C(F)(F)F)cs1 465187062 QCFMNZRIVTVJMA-MRXNPFEDSA-N 449.429 5.846 30 20 IKED COc1ccccc1[C@]1(C)C[C@H]1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 466051784 NGDXARWGJAOEND-VPUSJEBWSA-N 443.522 5.148 30 20 IKED C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 467903343 DJKZTYYEGAOFPE-OAHLLOKOSA-N 446.457 5.240 30 20 IKED C[C@@H](CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)Cc1cccc(F)c1 467977379 LIEKBSNYJVFHEY-CQSZACIVSA-N 426.542 5.049 30 20 IKED Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)Nc1cc(C#N)ccc1OC(F)F 469678444 WHKRRGONPXSTHF-CQSZACIVSA-N 442.491 5.817 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)N[C@@H](CC(F)(F)F)c2ccccc2)CC1 476135539 FUDWVAKNAPYPRW-MHJFOBGBSA-N 431.458 5.241 30 20 IKED N#CC[C@H](CC(=O)NCc1ccc(Br)cc1C(F)(F)F)c1ccccc1 476541327 TWURGTOZBHNHSW-CQSZACIVSA-N 425.248 5.172 30 20 IKED CC(C)(C)C[C@H](NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)C(F)(F)F 479278368 MAHFFEQXRKPLBE-ZDUSSCGKSA-N 425.348 5.127 30 20 IKED COc1cc(C[S@](=O)Cc2cccc(C(F)F)c2)ccc1OCc1cccc(C#N)c1 479839235 VSZRJGDLNPUUDX-WJOKGBTCSA-N 441.499 5.532 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(-c4ccc(OC(F)F)cc4)no3)cc2)nc1 479866798 OBJUZMXTSUUELG-UHFFFAOYSA-N 448.385 5.254 30 20 IKED Cc1onc(-c2ccccn2)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 480674870 KWZZXDQYPYOQFO-UHFFFAOYSA-N 430.851 5.615 30 20 IKED CC(C)c1c(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cnn1-c1ccc(F)cc1 481915409 CBESPJRXTDKSKY-UHFFFAOYSA-N 446.404 5.200 30 20 IKED N#Cc1ccc(N2CCC[C@H](Sc3nnc(-c4ccc5ccccc5c4)o3)C2=O)cc1 484516330 PUCVBUDAFPWTRS-NRFANRHFSA-N 426.501 5.049 30 20 IKED O=C(Nc1cc(F)cc(NC(=O)c2c(F)ccc(F)c2F)c1)c1c(F)ccc(F)c1F 485190002 CNRIMVCOOXDLJN-UHFFFAOYSA-N 442.290 5.165 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC3(CC2)OCCc2ccsc23)cc1 487453689 FTMNEHXOKSTCNS-UHFFFAOYSA-N 444.556 5.425 30 20 IKED Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 490230166 KQLMTMVYGRAALZ-OAQYLSRUSA-N 438.314 5.018 30 20 IKED C=CCC[C@H](NC(=O)N(C)[C@@H](CO)c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 491020553 NNHARBWMYMSJFJ-SFTDATJTSA-N 436.474 5.096 30 20 IKED Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)c2sccc2C#N)cc1C 497990022 NZAQUNJZNIUEDM-UHFFFAOYSA-N 426.545 5.362 30 20 IKED N#Cc1cccc(-c2csc(NC(=O)c3ccccc3SCc3cscn3)n2)c1 501108972 QNZKESHNKCQMCS-UHFFFAOYSA-N 434.571 5.683 30 20 IKED C=CCN(C(=O)c1cccc(COC)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502938938 CCKINUKHMSGCFJ-UHFFFAOYSA-N 433.360 6.096 30 20 IKED Cc1csc([C@@H](C#N)C(=O)c2c(C)c(C3CC3)nc3ccc(Br)cc23)n1 505294439 VFBMEWGUNVEUPA-HNNXBMFYSA-N 426.339 5.438 30 20 IKED N#C[C@@H](NC(=O)c1ccccc1CCC(F)(F)F)c1ccc(OCc2ccccc2)cc1 505355575 JXYMFEOXKMYBGS-HSZRJFAPSA-N 438.449 5.755 30 20 IKED N#C[C@@H](NC(=O)CCc1nc2cc(Br)ccc2s1)c1ccccc1Cl 505701296 WFSXJBAHGQRDOP-OAHLLOKOSA-N 434.746 5.026 30 20 IKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 505834350 SMUFLSFQRMOKAB-QGZVFWFLSA-N 444.343 5.610 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)cc1 508269647 VFKHRGNUJFINLQ-HNNXBMFYSA-N 437.446 5.862 30 20 IKED COCCN(Cc1ccccn1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510056941 OUINLKDBXWTTHX-JOCHJYFZSA-N 434.927 5.071 30 20 IKED CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 512598246 SLTMXWSXBIOVJE-UHFFFAOYSA-N 425.532 5.010 30 20 IKED C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCC(Oc2ccc(C#N)cc2F)CC1 512826663 FTSIXWIATFMFAY-LJQANCHMSA-N 443.522 5.554 30 20 IKED CCOc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)s2)cc1 512949653 YSWBHIAXAAFNLY-GOSISDBHSA-N 446.557 5.526 30 20 IKED Cc1ccc(OCc2nc(CC(=O)Nc3sc(-c4ccccc4)cc3C#N)cs2)cc1 515697172 ADBGBINJILOCPH-UHFFFAOYSA-N 445.569 5.812 30 20 IKED Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 517338724 FWNHFUTTWBYDFE-UHFFFAOYSA-N 445.494 5.436 30 20 IKED CCN(CC)C(=O)c1ccc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 517532473 IZYCHVGQMCMXSF-UHFFFAOYSA-N 442.519 5.154 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(-c4ccccc4Cl)[nH]n3)n2)cc1 517801149 XRHFGSGCFLPTCK-MRXNPFEDSA-N 429.892 5.215 30 20 IKED N#Cc1cccc(CNCc2cn(-c3ccccc3)nc2-c2cccc(Br)c2)c1 518270222 WYAPRIOXXXNBFW-UHFFFAOYSA-N 443.348 5.463 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 520457974 MEECSLQMOLAEBR-UHFFFAOYSA-N 427.430 5.014 30 20 IKED COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)Nc1ccccc1SC[C@@H](C)C#N 520856976 ZRVSPPZQQZECIG-ICSRJNTNSA-N 439.581 5.160 30 20 IKED COc1ccccc1[C@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)N1CCCC1 520938119 QGRVAMOKEZNQGM-RXVVDRJESA-N 438.597 5.048 30 20 IKED C=CCc1ccc(OCc2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)c(OC)c1 521910554 AQTCFCXNLSRULN-UHFFFAOYSA-N 433.439 5.379 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3nc(CN4CCCCCC4)cs3)c2)cc1 523749208 QPKHNAIZMCYYPL-UHFFFAOYSA-N 446.576 5.222 30 20 IKED CN1CCC[C@H](CNc2nc(C(F)(F)F)ccc2C#N)[C@@H]1c1ccc(C(F)(F)F)cc1 524230800 QIUGPEHEMBHROA-QAPCUYQASA-N 442.407 5.486 30 20 IKED N#Cc1ccccc1OC1CCC(NC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)CC1 524261051 GXCLPCLPEZSEGH-SLXFGWRHSA-N 449.551 5.538 30 20 IKED CSc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1[N+](=O)[O-] 524457574 PNTXWSIRYHEWJO-UHFFFAOYSA-N 437.452 5.159 30 20 IKED COc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1C#N 533331068 QBVBBKWZVADWEB-UHFFFAOYSA-N 433.924 5.155 30 20 IKED Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)C(F)(F)F 537452258 PSWQRLPNWVIAEC-NRFANRHFSA-N 438.453 5.078 30 20 IKED Cc1c(C#N)c(NC(=O)CN[C@H](C)c2nc(C(C)(C)C)cs2)n(Cc2ccccc2)c1C 541655284 VIQPDUKMALYYRF-QGZVFWFLSA-N 449.624 5.068 30 20 IKED Cc1ccc(-n2nc(C)c(CC(=O)N(Cc3ccc(C#N)cc3)C3CC3)c2C)cc1Cl 542310318 PMCTWWFTNZYNLB-UHFFFAOYSA-N 432.955 5.056 30 20 IKED N#CCC1CCN(C(=O)NCc2ccc(OCCSc3ccc(Cl)cc3)cc2)CC1 543775535 VLEOBAPYLMFRNM-UHFFFAOYSA-N 444.000 5.346 30 20 IKED CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 555346564 GYBSJKFNQBTJID-LJQANCHMSA-N 444.514 5.137 30 20 IKED CN(C(=O)c1ncsc1C(F)(F)F)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 558805294 ZYNFQKRZPGWVPI-SNVBAGLBSA-N 436.299 5.556 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](c2cccs2)C1 559004326 MXUPBBMYANUHJC-PZJWPPBQSA-N 438.597 5.250 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 562168835 TYAYKFVICJSMIV-DJJJIMSYSA-N 432.471 5.845 30 20 IKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(Cc4ccc(F)cc4)s3)n2)cc1 589244850 SDAWXXOJQHUIMP-GOSISDBHSA-N 444.516 5.358 30 20 IKED N#Cc1ccc(Cc2cnc(NS(=O)(=O)c3ccccc3-c3ccccc3)s2)cc1 603463150 HSXKVRJZWWJLJS-UHFFFAOYSA-N 431.542 5.073 30 20 IKED Cc1sc(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)c(C#N)c1C 603948038 YAQXBJYTSSTDHM-URXFXBBRSA-N 443.572 5.355 30 20 IKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(F)cc2nc(C)c(C)nc12 603959335 APGTVRDROWYBNR-UHFFFAOYSA-N 427.439 5.005 30 20 IKED Cc1cccc(CN(Cc2ccco2)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1 604288781 RPSXTRMUIIKMKD-UHFFFAOYSA-N 438.487 5.881 30 20 IKED CC[C@H](C)n1c(SCc2c(C#N)c(C)nn2-c2ccccc2)nnc1-c1ccccc1 604548116 VZIGQNLXLZEZOA-KRWDZBQOSA-N 428.565 5.574 30 20 IKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)n1 608845849 JFQZWCHXGAWKCD-CQSZACIVSA-N 430.938 5.500 30 20 IKED N#Cc1ccc(OCc2ccc(C(=O)N(Cc3ccccc3C(F)(F)F)C3CC3)o2)cc1 609056177 DCDDCIHTCNYPBG-UHFFFAOYSA-N 440.421 5.554 30 20 IKED CSCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)oc2ccccc12 609063930 FRADEJXJIJWZQI-UHFFFAOYSA-N 428.513 5.999 30 20 IKED C[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609079841 JULMLGALQZXVKB-OAHLLOKOSA-N 437.952 6.003 30 20 IKED COc1cc([C@H](C)NC(=O)Nc2cc(C#N)ccc2OC(F)F)ccc1OCC(C)C 609082226 GSNVWXYBYITQBV-AWEZNQCLSA-N 433.455 5.086 30 20 IKED Cc1sc2ncnc(Sc3ccccc3C(=O)NCc3ccc(C#N)cc3F)c2c1C 609229757 OYSPAKYUMFLKEK-UHFFFAOYSA-N 448.548 5.400 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC(OCCc3ccccc3)CC2)cc1 609298119 GWBAMFOEXAPFGZ-UHFFFAOYSA-N 444.506 5.354 30 20 IKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1 609428265 HXMLMWKIACXZOE-OAHLLOKOSA-N 432.505 5.448 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(CN4CCCC4)cc3)cc2)c1 609434199 CSSBNULARGWJKP-UHFFFAOYSA-N 426.520 5.268 30 20 IKED Cc1cc(OCc2ccccc2)ccc1NC(=O)Nc1ccccc1S[C@@H](C)CC#N 609773003 SAELZDZAFNVKKE-IBGZPJMESA-N 431.561 6.612 30 20 IKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccccc3CSc3nc[nH]n3)c2)cc1 609988157 AJBCMKUBUHJUHM-UHFFFAOYSA-N 427.489 5.013 30 20 IKED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc3cc(Br)ccc3o2)c1C 610053918 YKTQRTVAMAAKDL-UHFFFAOYSA-N 435.281 5.122 30 20 IKED C[C@@H](N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cccc(C#N)c1 610346590 YBOBNNTVPJLZPI-IVZQSRNASA-N 434.883 5.150 30 20 IKED Cc1nccn1-c1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 610663580 OFJGRCMSIMWAIQ-QGZVFWFLSA-N 438.491 5.122 30 20 IKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)s2)cc1 613315643 WLCOPOPMSHZZJB-IBGZPJMESA-N 445.569 6.049 30 20 IKED C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1nc(-c2ccc(Br)cc2)no1 614185457 PWECURLYAUPLKZ-CQSZACIVSA-N 425.330 5.151 30 20 IKED COc1cc(-c2noc([C@@H]3CCCN3c3ccc(C#N)cc3)n2)cc(Cl)c1OC(C)C 615131389 OALIPWWVWBNVFV-IBGZPJMESA-N 438.915 5.399 30 20 IKED N#Cc1ccc(CNC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)cc1Cl 619761989 DHIBYYUJTHNZDT-UHFFFAOYSA-N 436.751 5.501 30 20 IKED N#Cc1ccc(CNC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc1Cl 619763545 JPRVLUQSNBKNIP-UHFFFAOYSA-N 435.858 5.213 30 20 IKED Cc1ccc(N(CCC#N)C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 726940073 GILCAQBHOOURLV-GOSISDBHSA-N 429.480 5.032 30 20 IKED Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 728006152 GUWQNULMAUVUCC-UHFFFAOYSA-N 427.435 5.492 30 20 IKED N#C[C@@H](C(=O)Cc1ccccc1Br)c1nc(-c2c(F)cccc2F)cs1 729190177 WWXHMGVMAJMCFV-LBPRGKRZSA-N 433.277 5.270 30 20 IKED Cc1ccc(/C=C\S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 730997312 QMNRFBIIUJAVIG-XFXZXTDPSA-N 426.485 5.432 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc(F)cc2)o1 731065221 ZXDVABDMQBHPOC-OAHLLOKOSA-N 438.480 5.133 30 20 IKED Cc1ccc(C)c2c(C)c(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)oc12 731076011 RZRJWQBEHVXJSM-CQSZACIVSA-N 436.533 5.405 30 20 IKED CN(C)C(=O)Sc1cccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1 731416850 HVKWDEBFNPNBCB-UHFFFAOYSA-N 431.517 5.163 30 20 IKED CON=Cc1ccc(C(=O)N2CCCc3c(NC(=O)CC4CCCCC4)cccc32)cc1 731655506 NMLWEWPHEKXERS-UHFFFAOYSA-N 433.552 5.169 30 20 IKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CSc3c(Cl)cccc3C2=O)cs1 731939382 OJWCQZMWDUOJQL-XNTDXEJSSA-N 440.977 6.162 30 20 IKED N#C[C@H](NC(=O)/C=C\c1ccc2ccc(Cl)cc2n1)c1ccccc1Br 733267234 UYASANNXUAMVSC-VJIACCKLSA-N 426.701 5.045 30 20 IKED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)ccc1OC 733640776 NAOOMMKEFHPXCI-XJKSGUPXSA-N 436.339 5.243 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(F)cc2)c1 733799521 ROHWNIYDBDWTKW-FQEVSTJZSA-N 449.530 5.312 30 20 IKED COc1ccc(OC2CCN(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CC2)cc1 740060675 WWQXFUKVYIOXKR-UHFFFAOYSA-N 447.560 5.048 30 20 IKED C[C@@H](CC(=O)c1cccc(F)c1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 744037827 FFCGMPZUXQBIKY-XHDPSFHLSA-N 434.414 5.540 30 20 IKED CC(C)(C)c1ncc(/C=C\C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1 744037858 GQYKDJUKRFPMPV-CFHLNLSMSA-N 435.496 5.959 30 20 IKED C[C@H](C#N)CN(C(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1)C1CC1 754189364 YZPXFCGZQJYSFQ-GFCCVEGCSA-N 434.721 5.054 30 20 IKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NCc1cc(Cl)ccc1OCC#N 754765009 BDZQYYCOVQYMJM-ZDUSSCGKSA-N 432.376 6.179 30 20 IKED CC(C)Oc1ccc(C#N)cc1NC(=O)N(Cc1ccccc1)C[C@H](O)c1ccsc1 757205988 IBRNEEPPVHLKGR-QFIPXVFZSA-N 435.549 5.175 30 20 IKED N#C[C@H](C(=O)CCn1ccc2cc(Cl)ccc21)C(=O)Nc1ccc(SC(F)F)cc1 759207752 KGONFTHNCZLTQH-QGZVFWFLSA-N 447.894 5.347 30 20 IKED N#Cc1ccccc1Oc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1Cl 761384024 KXSSEWODLLOXLI-UHFFFAOYSA-N 433.895 5.093 30 20 IKED C=CCn1c(-c2ccccc2C)nn(CN2C[C@H](c3ccsc3)O[C@H](C)C2)c1=S 765083632 SADSCRVOGAUXSL-YLJYHZDGSA-N 426.611 5.057 30 20 IKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)/C(C)=C/c1c(Cl)cccc1Cl 766845591 FBSVYTSPTQFKIK-SLZMIMFISA-N 447.318 5.110 30 20 IKED N#C[C@@H](C(=O)C1CCC(C(F)(F)F)CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 774051708 CAALAHKEMRSQPR-MGULZYLOSA-N 447.309 6.662 30 20 IKED N#Cc1cccc(COc2ccc(NCc3ccc(Oc4cnccn4)cc3)cc2F)c1 779596416 VLYZUDDJPGIZJD-UHFFFAOYSA-N 426.451 5.471 30 20 IKED COc1ccccc1[C@@H](NC(=O)Nc1ccccc1O[C@H](C)C#N)c1ccccc1Cl 780676941 BEMDJVWKLQSVAL-MWTRTKDXSA-N 435.911 5.551 30 20 IKED CN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCOc2ccc(Br)cc21 782210603 CTRSTOYDPWOQGI-MRXNPFEDSA-N 436.762 5.127 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 784488256 WLSSJZYCKSIHEN-FUHWJXTLSA-N 447.526 5.528 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC23CCC(C(F)(F)F)(CC2)CC3)cc1 785679648 WWCZMJCIOKOBGO-RDABAPPSSA-N 427.470 6.119 30 20 IKED CCc1ccc([C@@H]2CN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CCO2)cc1 792229543 SANAEAVVTXSJHQ-FTJBHMTQSA-N 425.532 5.510 30 20 IKED CC(C)(C)OC(=O)NC(C)(C)c1cc(C=NN(Cc2ccccc2)c2ccccc2)on1 792871095 DHEIACPPLTYXCK-UHFFFAOYSA-N 434.540 5.475 30 20 IKED COc1ccc(C=Nn2c(S)nnc2COc2cc(C)ccc2C(C)C)c(Cl)c1 794774638 STSLNGGSGHYMMZ-UHFFFAOYSA-N 430.961 5.122 30 20 IKED COc1cccc(NC(=O)[C@H](OC(=O)c2ccc(C(C)(C)C#N)cc2)c2ccccc2)c1 796043394 PQTXOJYRQYBCKJ-HSZRJFAPSA-N 428.488 5.033 30 20 IKED C[C@@H](CO)N(C[C@H](C)c1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 806200568 HHMIQGJFNPHZBB-ISJBWFOZSA-N 427.548 5.360 30 20 IKED O=C1/C(=C\c2ccc(-c3ccccc3Br)s2)CS(=O)(=O)c2ccccc21 912778908 BTLLWYXOPHPUBF-QBFSEMIESA-N 445.359 5.231 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(Cl)c3c(c2)OCCCO3)cc1 915352199 IOWUGQRIIJEAMD-NRFANRHFSA-N 447.922 5.478 30 20 IKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nc2ccccc2n1C(F)F 915353468 NSIVDMZDZYQVAB-OXJNMPFZSA-N 445.473 5.970 30 20 IKED COc1cc(/C=C\C(=O)c2ccc(N3CCOCC3)cc2)ccc1OCc1ccc(F)cc1 916138276 CHTSXSZPTDPKIS-QCDXTXTGSA-N 447.506 5.146 30 20 IKED CCOc1cc(/C=C/C(=O)c2ccc(Br)cc2Br)ccc1O 916140386 QKTKNNDOUUOYEQ-XVNBXDOJSA-N 426.104 5.212 30 20 IKED COc1ccc(OCc2nnc(S)n2N=Cc2c3ccccc3cc3ccccc23)cc1 916313328 HOQCGLKZKXDSRC-UHFFFAOYSA-N 440.528 5.343 30 20 IKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1 916956046 XLKFCHXVDQRSDK-JTSKRJEESA-N 449.551 5.186 30 20 IKED N#C[C@@H](C(=O)C1=Cc2cc(Br)ccc2OC1)c1nc(-c2ccccc2)cs1 917026302 DNIQQQSIYWXYDO-KRWDZBQOSA-N 437.318 5.225 30 20 IKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1ccccc1-c1ccccc1 917543174 HPDNHSXXNNCSCC-UHFFFAOYSA-N 430.533 5.094 30 20 IKED COc1ccc2c(c1)C(=O)/C(=C/c1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)CO2 917560640 UEPQVUCBORMNFX-NTEUORMPSA-N 440.908 5.148 30 20 IKED CC(C)(C)c1ccc(COC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 918500804 NXAIWUDFBMDTAX-UHFFFAOYSA-N 433.508 5.064 30 20 IKED Cc1ccc(C)c(OC2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)c1 919904417 LWSMLMMPSBPFAQ-AREMUKBSSA-N 439.559 6.034 30 20 IKED CC(C)CN(CCC#N)Cn1nc(Nc2ccc(SC(F)F)cc2)sc1=S 919944816 PUDYXLQGHNKQJG-UHFFFAOYSA-N 429.587 5.562 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)n2)cc1 920138757 IQWAHDRNSZITQR-KBXCAEBGSA-N 426.925 5.424 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1-c1nc2ccc(Cl)cc2[nH]1 1437387516 WAJYABIBDBUXOD-UHFFFAOYSA-N 445.910 5.044 30 20 IKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CC[C@H](C(F)(F)F)CC4)CCC3)cc2)C1 1785808770 DUECXWPFBQDWGD-RUCARUNLSA-N 434.502 5.455 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cccc4ccncc34)CCC2)cc1)C(F)(F)F 1791304899 UCLBLSHVQTUIRS-UHFFFAOYSA-N 439.437 5.101 30 20 IKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sccc2Cl)[nH]n1 1819307731 MQNQZNKETGZIET-RHSMWYFYSA-N 432.977 5.199 30 20 IKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C)c2Cl)[nH]n1 1822396192 NQGTXLPMZMEFCI-SFHVURJKSA-N 447.366 5.134 30 20 IKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cccs2)CC1 1827075296 FGFFHZLMOLDZJG-MDRMPYQZSA-N 426.626 5.149 30 20 IKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccccc23)CC1 1828011005 GXRAJYZJNRYXTH-SANMLTNESA-N 430.592 5.267 30 20 IKED CC(C)=CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832633330 GRUUTGXEEUZRHM-BWKNWUBXSA-N 435.612 5.293 30 20 IKED CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)Nc1cc(C)cc(C)c1 10172559 NMILTWXOOHNGSX-UHFFFAOYSA-O 431.625 6.130 30 20 IKED Cc1cc(C)c(N/C(S)=C(\C(=O)c2cc(C)sc2C)[n+]2ccccc2)c(Cl)c1 10178917 VSCREACBZYSXRG-UHFFFAOYSA-O 430.018 5.974 30 20 IKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)NCc2ccccc2)cc1 22730751 IWXOPGJISBNPOM-UHFFFAOYSA-O 445.652 6.223 30 20 IKED N#CCSc1ccccc1NC(=O)COC(=O)[C@@H](Sc1ccccc1)c1ccccc1 22836685 IVBKBEVNLXPMMF-QHCPKHFHSA-N 448.569 5.318 30 20 IKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(Nc3cccc(C)c3)s2)cc1 23356626 OPEVMPKCDKPMRH-QGZVFWFLSA-N 437.594 5.326 30 20 IKED C=CCn1c(SCc2csc(COc3ccc(Cl)cc3)n2)nnc1-c1ccco1 24829681 UOYZJIWIWVPGHA-UHFFFAOYSA-N 444.969 5.705 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C(=O)Nc1ccccc1)c1ccccc1 32786353 WWEAUVXJGNDZQG-DEOSSOPVSA-N 440.572 5.527 30 20 IKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)nc2ccccc21 39576195 BBIFCHUZYVYDBW-UHFFFAOYSA-N 448.617 6.273 30 20 IKED COc1ccc(C#N)cc1NC(=O)CSc1ncnc2scc(-c3ccc(C)cc3)c12 64456134 GYSSTENPEPYRNU-UHFFFAOYSA-N 446.557 5.278 30 20 IKED CC(C)c1ccc([C@@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c2cccs2)cc1 72089891 IDEYWVXWLXWCJY-HSZRJFAPSA-N 441.560 5.030 30 20 IKED Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1ccccc1-c1ccccc1C#N 109250105 YRLIYTKKDGMUIX-FQEVSTJZSA-N 437.543 5.801 30 20 IKED Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)CSc1nc(C)c(C)c(C)c1C#N 116770406 NOOWKUXWPIAUAF-QFIPXVFZSA-N 445.592 5.040 30 20 IKED Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3nc(O)c4sccc4n3)n2)o1 303581397 KJXGUDGLSCPIGS-UHFFFAOYSA-N 448.451 5.543 30 20 IKED Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 303639474 QPXOJHFKBJTFQR-UHFFFAOYSA-N 447.538 5.683 30 20 IKED O=C([C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 410100907 MFDBNFQNGRTCPX-ZIAGYGMSSA-N 425.388 5.861 30 20 IKED COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N[C@@H](CCC#N)c3ccccc3)s2)cc1 429077753 LOUOALWMANYDSR-UTKZUKDTSA-N 434.565 5.532 30 20 IKED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccccc2SCc2ccc(C#N)cc2)s1 430603373 YMSDGZCUJFRARJ-LJQANCHMSA-N 431.586 6.095 30 20 IKED Cc1nc(NC(=O)c2cc(C(F)(F)F)ccc2Br)sc1SCC#N 432643430 OLWKWDAIKNLQCF-UHFFFAOYSA-N 436.278 5.101 30 20 IKED N#CCCn1cc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)c(-c2ccncc2)n1 432704623 OFUUTAMWYHYRIC-NSCUHMNNSA-N 436.302 5.590 30 20 IKED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 436360659 GCDNPNJZJKEUTA-SFTDATJTSA-N 434.927 5.011 30 20 IKED N#CCCn1ncc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c1-c1ccccc1 437277773 RBYUIKQZNBIMSS-OXJNMPFZSA-N 425.319 5.056 30 20 IKED Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 437465525 FYAXTXPFMYFXQJ-UHFFFAOYSA-N 433.464 5.696 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)N[C@H](CCC#N)c3ccccc3)s2)cc1 438844825 YGROZLCESUYABY-SIKLNZKXSA-N 432.593 6.174 30 20 IKED CCOc1ccc(NC(=O)c2ccc(NC(=O)N[C@H](CCC#N)c3ccccc3)cc2)cc1 439306673 NJUBJGRKTPLFGU-XMMPIXPASA-N 442.519 5.504 30 20 IKED CC[C@H](C)[C@H](C)N(C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C1CC1 439573487 OXWQMOPSEKFYQN-HOIFWPIMSA-N 437.971 5.360 30 20 IKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](CCC#N)c1ccccc1 440258860 SCPQHMKCLDCWIZ-HXUWFJFHSA-N 430.321 5.331 30 20 IKED Cc1ccccc1C[C@H](C)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 445237861 NXIXWUUQYGJQBY-NRFANRHFSA-N 427.548 5.735 30 20 IKED Cc1nc([C@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2CCc2ccccc2)cs1 460425488 XNODABLPQVBPFI-HSZRJFAPSA-N 440.576 5.166 30 20 IKED C=C(C)Cn1c(CCCc2cccs2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 460589302 ZYXVERPYQKTGKV-JJCDCTGGSA-N 442.654 5.026 30 20 IKED C[C@@H](C(=O)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1)c1cccc(C#N)c1 462594870 RUBDQNKERRBILS-PXAZEXFGSA-N 425.248 5.234 30 20 IKED N#Cc1ccc(CSCC(=O)N[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cc1 464233434 HWBJJZPCBSFBTF-LJQANCHMSA-N 437.565 5.248 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1C 465464109 DCROQWGJSLAQNW-IEBWSBKVSA-N 432.490 5.179 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Oc4ccccc4)ccn3)n2)cc1 466976846 LKCIZSKJJFSUIU-HXUWFJFHSA-N 427.485 5.496 30 20 IKED N#CCCCN1C(=O)CCc2cc(NCc3ccc(Cl)cc3Br)ccc21 469182992 ZEEULFBXUGILCR-UHFFFAOYSA-N 432.749 5.298 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](Oc3ccncc3)C2)cc1Cl 469511923 JPJITCQJAAGJSM-UNMCSNQZSA-N 432.911 5.076 30 20 IKED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 469903532 BGUYLXLSGVBKPW-RUZDIDTESA-N 443.595 5.249 30 20 IKED CCc1oc2ccccc2c1CN(C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470543397 VMZWMTXFFRCDPU-UHFFFAOYSA-N 444.535 5.242 30 20 IKED CCOc1ccc(-c2nc(CC)c(C(=O)Nc3nc4c(cc3C#N)CCCC4)s2)cc1 471084110 BQPAETYJFNZKDA-UHFFFAOYSA-N 432.549 5.169 30 20 IKED COCCOc1cccc(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 473612955 FLCXJRRCIHIKLG-UHFFFAOYSA-N 430.504 5.256 30 20 IKED N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1 473785440 IQRSAHMTIRLYMP-UHFFFAOYSA-N 440.425 5.840 30 20 IKED N#CC[C@H](CC(=O)N(CC(=O)Nc1ccccc1F)Cc1ccccc1F)c1ccccc1 474970048 VCOOXMUZRJFCMJ-HXUWFJFHSA-N 447.485 5.020 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 475564420 ASXCLKGHJSBLMC-UHFFFAOYSA-N 443.950 5.321 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 475570782 CZZYFGYMCDKOKA-UHFFFAOYSA-N 445.523 5.012 30 20 IKED CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 481538811 YJEMEPXJHXAOHI-UHFFFAOYSA-N 430.942 5.010 30 20 IKED C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 482448317 RGWXKXLMQDJMJF-QLJPJBMISA-N 438.343 5.572 30 20 IKED C=CCSc1ccccc1C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 485485261 ARXINTKNDYWHCV-UHFFFAOYSA-N 437.586 5.332 30 20 IKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 486547767 IZYPAXJQJXBCNH-UHFFFAOYSA-N 427.614 5.366 30 20 IKED C[C@@H](Nc1ccc(C(=O)N[C@@H](CCCC#N)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 487537992 OMEBCJCSZKHPEN-GCJKJVERSA-N 443.507 5.328 30 20 IKED C[C@@H](Sc1nc(C(F)(F)F)ccc1C#N)C(=O)Nc1ccccc1-c1ccccc1 488761903 ODJPNERXSBFUPA-CQSZACIVSA-N 427.451 5.758 30 20 IKED C=CCN(CCc1ccco1)C(=O)Nc1ccc(CC(=O)N(CC)c2ccccc2)cc1 490440296 YORSXRXGSWYCDK-UHFFFAOYSA-N 431.536 5.138 30 20 IKED N#Cc1ccccc1-c1ccc(CS(=O)(=O)Cc2ccc(Br)s2)cc1 494751200 DHVFOBVFAIMYOP-UHFFFAOYSA-N 432.364 5.164 30 20 IKED CCN(C(=O)CSCc1ccc(C#N)cc1)[C@@H](c1ccc(Cl)cc1)c1ccccn1 497904148 OIXQAMVSDAWBOW-DEOSSOPVSA-N 435.980 5.478 30 20 IKED CCCn1nccc1C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 502212032 FHUNXNLDPURDBU-UHFFFAOYSA-N 429.524 5.369 30 20 IKED Cc1ccc(CN(Cc2ccco2)C(=O)Nc2ccccc2SC[C@H](C)C#N)s1 503225467 LVAYGALTPPDHMV-MRXNPFEDSA-N 425.579 6.136 30 20 IKED C=CCn1c(SCc2cn3cc(Cl)cc(Cl)c3n2)nnc1-c1ccc(OC)cc1 503232055 PATSLKZGFFBCDT-UHFFFAOYSA-N 446.363 5.387 30 20 IKED CC[C@@H](C)n1c(SCCC(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccccc1 504282812 WXSTYRPSHHGERE-OAHLLOKOSA-N 439.972 5.562 30 20 IKED Cc1cc([C@H](C#N)C(=O)c2cc(-c3nc4ccccc4s3)nc3ccccc23)nc(C)n1 505306875 YCDWLNNZVNHDQP-SFHVURJKSA-N 435.512 5.408 30 20 IKED Cc1c([C@@H](C)NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)oc2ccccc12 510206098 CFDYEGKRAXIAPF-CQSZACIVSA-N 449.561 5.639 30 20 IKED CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c1C(C)C 511520105 KTLSIPRBNOURLR-QFIPXVFZSA-N 429.520 5.223 30 20 IKED CC(C)(NC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1nc(C(F)(F)F)cs1 511552062 FXQUTOLLHKPODE-LLVKDONJSA-N 443.388 5.529 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1csc(Cc2cccc(Cl)c2)n1 512216825 ZSHIITINILQVDM-UHFFFAOYSA-N 437.417 5.860 30 20 IKED C=C(CNC(=O)N1CCC(c2nc(-c3ccccc3OC)cs2)CC1)c1ccccc1 512676393 CDOVBDZDUIUCPN-UHFFFAOYSA-N 433.577 5.421 30 20 IKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@]4(CC=CCC4)C3)s2)cc1 512726168 SAKYYIZBXDHTOW-OAQYLSRUSA-N 425.583 5.056 30 20 IKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Sc2ccccc2Cl)cc1 519952043 ZFMCJGQDDOQTAW-UHFFFAOYSA-N 437.952 5.652 30 20 IKED N#C[C@@H](C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc(-c2c(F)cccc2F)cs1 520429362 MBHQFTPTGVCNSL-LBPRGKRZSA-N 441.440 5.701 30 20 IKED CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2occc2COc2cccc(C#N)c2)s1 520730614 YYXLTSDPNWSRCG-FQEVSTJZSA-N 444.516 5.376 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1csc(Nc2ccccn2)n1 522938547 HDURUTDYWKWOLI-UHFFFAOYSA-N 427.489 5.506 30 20 IKED Cc1ccc(C[C@H](C)NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)s1 523402437 QCSQNPDRTIITCZ-INIZCTEOSA-N 449.601 5.020 30 20 IKED N#CCCN(C(=O)CCC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1)c1ccccc1 524623382 SMKNSZNRFFFIMG-SANMLTNESA-N 445.950 5.273 30 20 IKED Cc1nc(SCc2nnc(-c3cccc(C#N)c3)o2)n([C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 525110707 GJPCJLHCANWBDQ-IGGJEDBVSA-N 433.581 5.711 30 20 IKED CC(=O)N(c1ccc(Cl)cc1)c1nc(CSc2ccc(C#N)cc2Cl)cs1 533625299 AUGOPJNMVAPOFF-UHFFFAOYSA-N 434.373 6.298 30 20 IKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H]1COc2ccccc21 533629411 FQFGKEQKIFWJIT-WZONZLPQSA-N 427.504 5.018 30 20 IKED CNC(=O)c1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c(Cl)c1 534974967 CZLXGGRKIVHVIU-UHFFFAOYSA-N 440.286 5.269 30 20 IKED CC(=O)c1cccc(OCc2cc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)no2)c1 536127293 NVBROKTYZMFPSR-UHFFFAOYSA-N 443.484 5.309 30 20 IKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccccc1)[C@H](C)CCO 536813687 CWMTUERLMQJZFU-HXUWFJFHSA-N 429.520 5.464 30 20 IKED C=CCC[C@@H](NCc1nc(-c2ccc3c(c2)OCO3)no1)c1ccc(C(F)(F)F)cc1 540430368 PCUOTAXHDLBZFM-QGZVFWFLSA-N 431.414 5.281 30 20 IKED C[C@H](NC(=O)Nc1ccccc1SCCC(N)=O)c1ccc(-c2cccc(C#N)c2)cc1 542025864 NFZFTWIETSDVNC-KRWDZBQOSA-N 444.560 5.075 30 20 IKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCO[C@H](C4CCCCC4)C3)c2)cc1 542632437 CYRMLVJBSPAYGY-VWLOTQADSA-N 433.552 5.145 30 20 IKED Cc1sc([C@@H](C)NCC(=O)Nc2sc(C)c(C)c2C#N)nc1-c1ccc(Cl)cc1 543503288 IBVNUAICCJZMPU-GFCCVEGCSA-N 445.013 5.611 30 20 IKED Cc1nc(O)cc(-c2ccc(NC(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc2)n1 543861732 XNBBUQVLVBVCPE-KRWDZBQOSA-N 449.514 5.579 30 20 IKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2c[nH]cc2-c2ccc(Cl)s2)n1 543928956 IMITYFJVYDBWCS-UHFFFAOYSA-N 428.304 5.360 30 20 IKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@H]2c2ccc(Br)s2)c1 544248942 FKJLMPXSNFTBHD-LBPRGKRZSA-N 442.285 5.353 30 20 IKED COC(=O)[C@@H](N[C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C)c1cccc(C#N)c1 544487438 VATYHVQIFUUGHI-YJYMSZOUSA-N 425.941 5.209 30 20 IKED C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1cccs1 549574719 XSKDOYWVMGVSHV-KRWDZBQOSA-N 447.539 5.175 30 20 IKED Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1cccc(C(=O)Nc3cccc(C#N)c3)c1)CCC2 554246267 FQUPQBLZZJGOBX-NRFANRHFSA-N 445.548 5.117 30 20 IKED O=C(O)C[C@@H](NCc1ccc(OCC(F)(F)F)c(F)c1)c1cccc(C(F)(F)F)c1 556329345 PEKVZHSDXAJMIY-OAHLLOKOSA-N 439.327 5.091 30 20 IKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H]1CC[C@H](c2ccccc2)O1 565955401 CFMRQYYYERZNNW-AOYPEHQESA-N 441.531 5.488 30 20 IKED C=C(C)[C@H](NC(=O)Nc1cccc(F)c1Cn1cccc(C)c1=O)c1ccc(F)c(F)c1 566644313 QWLCHHJIMCIEES-QFIPXVFZSA-N 441.453 5.061 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCc4[nH]c5ccc(F)cc5c4C3)cc2)c1 568426044 KHCACCMKWGCNBI-UHFFFAOYSA-N 426.451 5.561 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CC[C@](F)(c4cccc(Cl)c4)C3)cc2)ccn1 577090899 ZLSUQTWTQUOWGB-HSZRJFAPSA-N 436.874 5.502 30 20 IKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cc(-c3nc[nH]n3)ccc2F)c1 577799156 WYGJQVYRXYNDSC-UHFFFAOYSA-N 433.830 5.180 30 20 IKED Cn1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C2CCCCC2)n1 588739161 XMUYGJDZFGRVEN-CQSZACIVSA-N 432.471 5.586 30 20 IKED C=C(C)COc1cccc(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 589382295 OPNMASNAPSYSQF-UHFFFAOYSA-N 446.469 5.151 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)cc1 592727143 KDKPYZAFWJXATN-JOCHJYFZSA-N 435.524 5.605 30 20 IKED Cc1nc(COc2cccc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)c2)cs1 603968573 CKDXMSWHERFKFS-UHFFFAOYSA-N 431.542 5.883 30 20 IKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H]3CCCO[C@H]3c3ccccc3)cn2)c1 604428854 HRQLAHSNBRGCSI-RDPSFJRHSA-N 428.492 5.035 30 20 IKED C=CCN(C(=O)COC[C@@H]1CCOC1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 605078876 ZLUSTLFVZRMLMG-LJQANCHMSA-N 434.561 5.049 30 20 IKED Cc1ccc(-c2nc(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)cs2)o1 609063851 MBCYHIRYSRQRPP-UHFFFAOYSA-N 429.501 5.343 30 20 IKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)cc1 609297948 PPIROYCHYPCFHK-UHFFFAOYSA-N 439.446 6.274 30 20 IKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CC[C@@H]1Cc2ccccc2NC1=O 609378562 VLWCWDAENKJLIC-OAHLLOKOSA-N 447.482 5.241 30 20 IKED C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 609378885 GYNANBWWJQYDEJ-NSHDSACASA-N 434.892 5.411 30 20 IKED CC(C)Cc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C2CC2)cc1 609406245 DEIDPWMBCJCICK-QHCPKHFHSA-N 435.593 5.097 30 20 IKED COc1ccc(OC)c([C@H](C)NCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)c1 609739486 QTGKEYYGCKJXQF-SFHVURJKSA-N 432.520 5.014 30 20 IKED CCOC(=O)CCc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 610050174 YHHQPCOWCSBHIW-UHFFFAOYSA-N 428.488 5.293 30 20 IKED Cc1nnc(SCc2c(C(=O)N[C@H](C)c3cccc(C#N)c3)oc3ccccc23)s1 610366713 SEBQFYIMDWUUDD-CYBMUJFWSA-N 434.546 5.248 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 610632289 NHCNGWNGHZQELI-UTUOFQBUSA-N 425.398 5.143 30 20 IKED N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)CC1 610926302 XWDBWKIKLWMJGQ-LJQANCHMSA-N 444.585 5.047 30 20 IKED Cc1ccc2c(C3=CCN(C(=O)NCC#Cc4cccc(C(F)(F)F)c4)CC3)c[nH]c2c1 612314452 AYUSHXFNCKKFBK-UHFFFAOYSA-N 437.465 5.346 30 20 IKED CCn1ncc2c(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc(-c3ccccc3)nc21 613392396 OCOVJJBKOWDYGP-HXUWFJFHSA-N 449.539 5.732 30 20 IKED C[C@H](Oc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cn1)c1ccccc1 613404439 RAHRUNWLSXXRGW-MAUKXSAKSA-N 432.430 5.456 30 20 IKED CN(C(=O)c1c(F)c(F)cc(F)c1F)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 622374240 HTOBEOFXMMVNOG-UHFFFAOYSA-N 444.306 5.726 30 20 IKED O=C(CCN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)Nc1cccc(C(F)(F)F)c1 674369007 OJSMYXIWKCCANC-TXEJJXNPSA-N 436.318 5.097 30 20 IKED C=CCC[C@@H](NC(=O)C1CCN(c2ccc(C)cn2)CC1)c1ccc(C(F)(F)F)cc1 676731498 ZXJKRAMPOWASLV-OAQYLSRUSA-N 431.502 5.449 30 20 IKED Cc1cc(-c2cc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)c3cnn(C(C)C)c3n2)c(C)o1 679088667 GFJAGVHTXBPJAT-NRFANRHFSA-N 449.514 5.927 30 20 IKED O=C(CCCc1cccc(C(F)(F)F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 681132460 NQNXZERNLNLTRL-ZIAGYGMSSA-N 435.330 5.617 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 682778208 ZPOJNWJOEFCMNY-QHCPKHFHSA-N 442.003 5.075 30 20 IKED Cc1ccc2c(CC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)c[nH]c2c1 726322362 SKKYLHFBOZRUPD-QGZVFWFLSA-N 440.355 6.326 30 20 IKED N#C[C@H](C(=O)Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(C(F)(F)F)ccc2s1 727954364 OXGUDUFHKBOGPK-CQSZACIVSA-N 433.842 5.869 30 20 IKED N#Cc1ccc(SCC(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)cc1 728676556 AARYXQLNZFUBDY-UHFFFAOYSA-N 432.526 5.023 30 20 IKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Oc3ccc(F)cc3)cn2)c1 729377826 DAXWLFXQKUIZKN-UHFFFAOYSA-N 429.407 5.309 30 20 IKED Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2cccc(OCc3ccccc3C#N)c2)S1 731318723 KBSVTFGWSQVCOW-OEAKJJBVSA-N 439.540 5.646 30 20 IKED N#Cc1ccc(Oc2ccc(C(=O)OCC(=O)Nc3ccccc3-c3ccccc3)cc2)nc1 732398264 CJVPCVXGODDTEA-UHFFFAOYSA-N 449.466 5.208 30 20 IKED CC[C@H](C#N)Oc1cc(CNCc2ccc(Oc3cc(F)cc(F)c3)cc2)ccc1OC 733330030 OQNLYZDOJWYPEJ-OAQYLSRUSA-N 438.474 5.736 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(-c3nc4ccccc4s3)s2)c1 733772975 KABLFLWTDYHOQF-INIZCTEOSA-N 433.558 5.636 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ccccc2Oc2cccc(F)c2)c1 733803524 ZDNBNOWUOBURNQ-OAQYLSRUSA-N 433.483 5.298 30 20 IKED CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)c1 733844926 YPZZXUWRAPMTEB-OAQYLSRUSA-N 442.519 5.250 30 20 IKED C=CCOc1ccc(/C=C\C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)cc1OC 734406670 SWBYJIQIEJADSP-RGOCUGCRSA-N 447.556 5.220 30 20 IKED C=CC[C@H](NC(=O)N[C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21)c1ccncc1 734669364 UXSRYHMQMWHXND-FPOVZHCZSA-N 434.565 5.208 30 20 IKED Cc1ncc2c(n1)CCC[C@H]2NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 734929552 SVHNDVKDLGRFDE-AUSIDOKSSA-N 431.927 5.293 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2cnc(-c3cccs3)o2)cc1C 739256646 PXKXTIFLJBGLGR-UHFFFAOYSA-N 432.505 5.154 30 20 IKED Cc1cc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)ccc1OC1CCOCC1 740454958 IHJVQCTWXAZLRJ-UHFFFAOYSA-N 447.560 5.475 30 20 IKED O=C(/C=C\c1csc(-c2ccccc2)n1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741852696 RKVRZGBSRHUFPW-FLIBITNWSA-N 437.464 5.042 30 20 IKED Cc1cc(-n2c(C)cc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)c2C)no1 742960396 GAMPUWXETWLISR-UHFFFAOYSA-N 430.439 5.446 30 20 IKED CN(C(=O)C1CC1)c1ccccc1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 742963306 RVKXGRUXSWIAHL-UHFFFAOYSA-N 429.451 5.115 30 20 IKED CC(C)(C)OC(=O)c1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 743094563 ABLJUCDJPWBKOG-DEOSSOPVSA-N 441.531 5.619 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 744015981 GLUVDOMZKIPPJJ-IBGZPJMESA-N 440.503 5.320 30 20 IKED Cc1cncc(C(=O)N2C[C@@H](c3ccc([N+](=O)[O-])cc3)SC2=Nc2ccccc2C)c1 744354521 GNPZXHSSPQQKDR-NRFANRHFSA-N 432.505 5.225 30 20 IKED C=CCN(Cc1cccc(C#N)c1)Cn1nc(-c2ccco2)n(C2CCCCC2)c1=S 745162511 PBFMIUDZZLAVIS-UHFFFAOYSA-N 433.581 5.697 30 20 IKED C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 755603753 YKOOBIXDKRTJDF-QGUORLBXSA-N 441.443 5.138 30 20 IKED C#CC[C@@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1)c1ccccc1 757758587 ZQCYKQBKSAXZRT-PXDATVDWSA-N 446.572 5.187 30 20 IKED O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1cc(-c2ccccc2Cl)on1 764751003 VUGUESORYMCINC-UHFFFAOYSA-N 437.670 5.323 30 20 IKED CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 765590050 PXOXFCHLFLERIL-OXQOHEQNSA-N 435.505 5.172 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)C[C@H](O)c2ccc(F)cc2)cc1 766009326 UCCXHGWHLALGAG-ZHRRBRCNSA-N 449.482 5.132 30 20 IKED FC(F)(F)Sc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1 767198901 IXJUPBJUIYCFPV-UHFFFAOYSA-N 428.892 5.718 30 20 IKED CC(=NNc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)c1nc(C(F)(F)F)cs1 767360244 KHOAHQDQTLQKFW-UHFFFAOYSA-N 439.484 5.139 30 20 IKED N#CCCCn1cc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)c2ccccc21 768028884 QBGLHJRWURLXAD-RUZDIDTESA-N 443.572 5.383 30 20 IKED CSCc1c(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)oc2ccccc12 769658060 UJVUDPGTKDJHPD-UHFFFAOYSA-N 432.501 5.204 30 20 IKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2nccnc2C(C)C)cs1 773075797 YQZBPCDSLHYLKV-UHFFFAOYSA-N 448.474 5.206 30 20 IKED N#CCCN(C(=O)c1cc(-c2ccncc2)nc2ccccc12)C12CC3CC(CC(C3)C1)C2 776908627 KNGYNJAFTCGBIS-UHFFFAOYSA-N 436.559 5.621 30 20 IKED CC[C@@H](C#N)Oc1cccc(CNCc2cc(Br)cc(C)c2OC(F)F)c1 778089482 YLMOLCOEMZYVBL-KRWDZBQOSA-N 439.300 5.330 30 20 IKED C[C@@H](C#N)Oc1ccccc1NC(=O)c1oc2ccccc2c1CSCc1ccccc1 780160262 QORIHNVPUXXDOU-SFHVURJKSA-N 442.540 6.409 30 20 IKED O=C(N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1sccc1SC(F)F 781202463 KQAKYRZJLAZCDB-NSHDSACASA-N 433.370 5.698 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1 789341942 HHKZXRBSBBUQRZ-ZDUSSCGKSA-N 432.785 5.580 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 789889909 ORIYMIKNTXLRGX-CVDCTZTESA-N 436.596 6.379 30 20 IKED CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 793123552 ZAAWDZLMKFDXRE-ZBFHGGJFSA-N 435.396 5.895 30 20 IKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@H](C)Oc1ccc2ccccc2c1 795721641 YVRAOSSPZMHNHS-ROUUACIJSA-N 448.544 5.041 30 20 IKED CC[C@@](C)(C#N)C(=O)Oc1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1 797148621 XVNRGLMDYTXHDH-FQEVSTJZSA-N 426.270 5.011 30 20 IKED CC(C)(CC(=O)c1ccccc1)CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 799605048 JKJWRIQOPWMEHO-INIZCTEOSA-N 438.499 5.954 30 20 IKED N#CC1(CCCOC(=O)c2ccccc2CSc2nc3ccccc3o2)CCOCC1 800078400 AOUCSWCZEATALE-UHFFFAOYSA-N 436.533 5.377 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccsc2Br)cc1 801612181 LZTPDIVXKNIFIA-GOSISDBHSA-N 426.339 5.488 30 20 IKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(CN2CCCC2)cc1 805855814 NSAUURNPSFJRIF-QHCPKHFHSA-N 439.515 5.036 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 806200519 GARPRVKEUOJSHG-IBGZPJMESA-N 426.303 5.676 30 20 IKED CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(CC#N)cc2)c2c[nH]c3ccccc23)cc1 806794306 ZMOWGBIGUVQTPR-DEOSSOPVSA-N 437.547 5.254 30 20 IKED N#Cc1ccc(/C=C2/SC(=S)N([C@H]3CCOc4ccccc43)C2=O)c(C(F)(F)F)c1 811624727 ORBAHWGIKLWIGO-HKJBKDEOSA-N 446.475 5.302 30 20 IKED Cc1sc2ncn(N=Cc3ncc(-c4ccccc4)s3)c(=O)c2c1-c1ccccc1 811632506 RERMWQFDUKAWKG-UHFFFAOYSA-N 428.542 5.439 30 20 IKED C[C@@H](NC(=O)c1ccccc1Oc1ccccc1C#N)c1ccc(N2CCCOC2=O)cc1 817291178 IRVKQPSGQGUSNL-GOSISDBHSA-N 441.487 5.188 30 20 IKED C=CCNC(=O)Nc1ccc(NC(=O)/C(=C\c2ccccc2OC)c2ccccc2)cc1 877085561 KLDVESRYORFMJN-NKFKGCMQSA-N 427.504 5.182 30 20 IKED CC[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(Cl)c1 915766587 QVRNAVRBNKCOIQ-PKTZIBPZSA-N 431.923 5.201 30 20 IKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 916844649 SKRZGUOIRQPRDC-MRXNPFEDSA-N 438.318 5.091 30 20 IKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)n(Cc3ccccn3)c2C)cc1 916954660 JRBSUUDSJRGGAN-MZNJEOGPSA-N 428.536 5.023 30 20 IKED C=CCn1c(SC[C@H](O)c2cccc(F)c2)nc2scc(-c3cccs3)c2c1=O 916976660 WKLXWSNGJROUNJ-INIZCTEOSA-N 444.578 5.337 30 20 IKED Cc1nc(-c2ncccn2)sc1C(=O)N1CCCSC1=Nc1ccccc1C(C)C 917548250 KZZAPFWJQZVDPT-UHFFFAOYSA-N 437.594 5.299 30 20 IKED Cc1ccc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cc(Cl)ccc2Cl)c1 917613643 PDOLCXNSUVRIME-UHFFFAOYSA-O 441.363 5.784 30 20 IKED CC(C)CN(CCC#N)Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccco2)c1=S 919944112 SECRRWONJFBPAI-UHFFFAOYSA-N 429.977 5.205 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)cc1 920048621 ZRMWZPNELKOSIW-KBMIEXCESA-N 428.511 5.129 30 20 IKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(-c2nc3ccccc3s2)s1 920102092 OZPVLGBPGSAXMQ-HNNXBMFYSA-N 441.537 6.020 30 20 IKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2cc(-c3ccccc3)on2)cc1C 920892760 MXEFBGJYMHYYLW-UHFFFAOYSA-N 426.476 5.093 30 20 IKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3Cl)CCC2)cc1 1786679238 SHQLJFFVWPHEEM-UHFFFAOYSA-N 432.948 5.146 30 20 IKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cccc(C(F)(F)F)n3)cc2)CCC1 1789749116 NSNWIVMLKKGHAV-UHFFFAOYSA-N 443.469 5.042 30 20 IKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C)nc3OC)cc2)CCC1 1789874300 WLPHCJOVFIWMJV-UHFFFAOYSA-N 435.568 5.139 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@H]4C4CC4)CCC3)cc2)c(Cl)c1 1790765821 GGCPXSUBGCYNAN-SFTDATJTSA-N 433.939 5.005 30 20 IKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1791730393 HAJROSYZYYSHPU-UHFFFAOYSA-N 433.939 5.153 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1Oc1ccccc1)C2 1798335653 QCMWDFUBVLECLK-JTOYRKQZSA-N 444.575 5.499 30 20 IKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2cccc(C)c2)[C@@H]1c1cccnc1 1804030643 HHDHWZMIEDANAJ-RSXGOPAZSA-N 447.623 5.021 30 20 IKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2oc3ccccc3c2C)[nH]n1 1814828625 ARWYLCFGWMEVLC-NRFANRHFSA-N 446.551 5.539 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(Cl)cc2)n[nH]1 1816933460 KWXBJNXJRBWSAO-HXUWFJFHSA-N 442.991 5.290 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(F)cc2)n[nH]1 1822220610 PAVCWTSGOVUVLN-OAQYLSRUSA-N 440.563 5.166 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCC(F)(F)CC2)CC1 1828825701 YCPFIRYFWLJMJV-YADHBBJMSA-N 436.587 5.200 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2F)CC1 1830083176 NRSNIZMGBNPGPM-NRFANRHFSA-N 432.555 5.191 30 20 IKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2c[nH]c3cc(C)ccc23)CC1 1831378259 VKUWHLVGHXHPOO-AAPLMEDBSA-N 447.623 5.321 30 20 IKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(-c3ccccc3)cc2)[n+]2cccc(O)c2)cc1 10173126 ZJEGBFDPGBTFNS-UHFFFAOYSA-O 439.560 5.706 30 20 IKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccc(Cl)cc2)cc1 10832727 NVBGHTDPJPBXHS-UHFFFAOYSA-O 438.016 6.364 30 20 IKED Cc1ccccc1-n1c(C)nnc1SCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 14053125 DSHAIQDWRPLYQG-UHFFFAOYSA-N 448.596 5.020 30 20 IKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)nc2ccccc2c1=O 15230986 HWGZISGNYFEBDX-GFCCVEGCSA-N 434.348 5.009 30 20 IKED COc1ccc(-c2csc(NC(=O)c3ccccc3-c3ccccc3C#N)n2)cc1F 18707022 HFPKRQJXAQJVOS-UHFFFAOYSA-N 429.476 5.749 30 20 IKED C=CCn1c(SCC(=O)N2CCC(Cc3ccccc3)CC2)nnc1-c1cccc(C)c1 21961263 KQHSREWOKITTQB-UHFFFAOYSA-N 446.620 5.013 30 20 IKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccc3c(c2)CCCC3)c(C)[nH]1 23603278 VNDDVHWCSWYQEO-UHFFFAOYSA-O 432.613 5.466 30 20 IKED COc1cc(/C=C/C(=O)c2ccc(C)o2)ccc1OCC(=O)Nc1ccccc1Cl 24717810 CWRKLBNFZCDYEC-CSKARUKUSA-N 425.868 5.164 30 20 IKED COc1cccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCCCCC#N)c1OC 24884739 VHGPJSRWGRFWFK-ISLYRVAYSA-N 442.515 5.589 30 20 IKED CCc1ccccc1N/C(S)=C(/C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1cccc(C)c1 28793762 WZWTVPHRQQUVIP-UHFFFAOYSA-O 434.585 5.043 30 20 IKED C=C(C)COc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)ccc1OC 60791898 DAYGTRLTFVKSSI-NDENLUEZSA-N 427.547 5.065 30 20 IKED N#Cc1cc(-c2ccccc2)sc1NC(=O)COc1cccc(NC(=O)c2ccco2)c1 65011272 XLEFENGVFIRLBI-UHFFFAOYSA-N 443.484 5.150 30 20 IKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCCSc2ccc(F)cc2)cc1 71944550 KFKWQQNZTAQNAB-UHFFFAOYSA-N 449.551 5.775 30 20 IKED CCc1ccc2c(CNc3ccc(Oc4ccc(C#N)cc4OC)cc3)cc(=O)oc2c1 72074660 XNNFYCNWXHHVFO-UHFFFAOYSA-N 426.472 5.640 30 20 IKED Cc1nc(CSc2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)cs1 78720065 KIWOIHGKJVSTLL-OAHLLOKOSA-N 439.631 6.390 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)COc1ccc(C2SCCCS2)cc1 302600699 ZVWOANMWMQMTSW-UHFFFAOYSA-N 440.055 5.864 30 20 IKED C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 302922034 RMQUEXBJMDUFNX-HNNXBMFYSA-N 427.378 5.073 30 20 IKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)c1ccc(OC)c(Cl)c1 428063286 SLPCYYHNKVJOIV-OAHLLOKOSA-N 427.957 5.080 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(Cl)cc(Br)c1F 435854761 HWJPUJHJSCPZHG-JTQLQIEISA-N 427.726 5.888 30 20 IKED CCCOc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c(C)c1 437245250 JHWAFABUWPOHIW-UHFFFAOYSA-N 429.476 5.025 30 20 IKED CC(C)(C)Oc1ccccc1NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 439385021 JKEVDJDDZMEREK-UHFFFAOYSA-N 429.476 5.105 30 20 IKED CCCc1c(NC(=O)N[C@H](C)c2cccc(N3CCCC3)c2)cnn1-c1cccc(C#N)c1 439676289 WTLJJTUNOKVMQW-LJQANCHMSA-N 442.567 5.179 30 20 IKED CC(C)N(C[C@H](O)COc1cccc2ccccc12)C(=O)N[C@@H](CCC#N)c1ccccc1 440250756 BSAQJCZKGMPZAL-ZCYQVOJMSA-N 445.563 5.045 30 20 IKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)cc1 442063478 MNESYYYYRCNKMW-JXFKEZNVSA-N 444.000 5.434 30 20 IKED CCn1c(CN[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)nc2cc(F)ccc21 444734856 OCSRWMXGVFHSIG-MRXNPFEDSA-N 433.371 5.997 30 20 IKED N#Cc1ccc(C(F)(F)F)c(NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)c1 444868172 DWPDSSXJNDVSMR-UHFFFAOYSA-N 426.442 5.309 30 20 IKED C=C[C@@](C)(CCOC)C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C 445621648 SDWSAUWBAUAETN-QFIPXVFZSA-N 434.458 5.433 30 20 IKED CC(C)c1ccc(NC(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 446372660 WMCJVNLNHIBJQI-UHFFFAOYSA-N 427.504 5.032 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)c2cccc(Br)c2)cc1 462253426 FBABNERBGLKCLL-MRXNPFEDSA-N 427.342 5.006 30 20 IKED C=CCOc1c(Br)cc(CN[C@@H](C)c2c(F)cccc2OC)cc1OCC 462735683 LQNMUAJZXWLNOY-AWEZNQCLSA-N 438.337 5.411 30 20 IKED C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1SCCC#N 463866159 PVTRTIOTMUKSCO-HXUWFJFHSA-N 443.572 5.421 30 20 IKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 464398538 MCNLOOUHTVIKLL-OAHLLOKOSA-N 435.402 5.074 30 20 IKED Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 464415906 CHTNDKGFQLZGRI-AWEZNQCLSA-N 438.331 5.308 30 20 IKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1 464856593 LKKHLLVMWWRVEM-DEOSSOPVSA-N 441.487 5.029 30 20 IKED CCOc1c(Cl)cc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1Cl 466297177 JFYLQLVEYFUIQR-UHFFFAOYSA-N 434.323 5.058 30 20 IKED C=CCCN(C)CC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccccn1)CC2(C)C 467283126 GPZMGHIRDGMYOG-ZHACJKMWSA-N 432.593 5.239 30 20 IKED CCN(CC)C(=O)Nc1ccc([C@@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 468908258 GTKINMUCEBJZSW-LJQANCHMSA-N 447.583 5.316 30 20 IKED Cc1nc(-c2ccccc2)oc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 469170305 XYTSVJVRCOCJQD-UHFFFAOYSA-N 431.439 5.927 30 20 IKED Cc1cc(C)c(C(=O)CCCC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c(C)c1 469950282 KQYQSUJEQOPKMH-UHFFFAOYSA-N 445.563 5.187 30 20 IKED N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 470832031 PPTGNECPSSDTQU-LJQANCHMSA-N 426.863 5.197 30 20 IKED Cc1cc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c(Br)s1 471219814 JSTTVISHVFEFTJ-UHFFFAOYSA-N 427.323 5.522 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 475544211 GVWFXOADZPCYSG-UHFFFAOYSA-N 439.987 5.111 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N(Cc1cccc(C)n1)Cc1cccc(C)n1 475552531 ZRKOOUXPWAYKLV-UHFFFAOYSA-N 428.580 6.180 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)C(=O)Nc1cccc(N2CCCC2)c1 475576306 VZWUETUJIGSPRQ-IBGZPJMESA-N 434.584 5.287 30 20 IKED C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 475579454 BHJWBADVYIYWQU-UHFFFAOYSA-N 433.383 5.594 30 20 IKED N#CC1(NC(=O)c2ccc(SCc3ccccc3)cc2)CCN(Cc2ccccc2)CC1 479313385 NEKBUENDWIVZOK-UHFFFAOYSA-N 441.600 5.267 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 480110955 CDNDBOZBPXZATN-UHFFFAOYSA-N 443.532 5.059 30 20 IKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)cc1 481292950 NPEWYBAYIPQNGA-UHFFFAOYSA-N 427.460 5.027 30 20 IKED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(CC2CC2)nn1-c1ccccc1 481723166 JCCPBSZEFUANKR-UHFFFAOYSA-N 432.572 5.212 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 482901539 SPIBQXGUZMCUSB-CABCVRRESA-N 432.952 5.131 30 20 IKED C=CCSc1ccccc1C(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)c(C)s1 485749517 PFNWTWSMNPGWDF-UHFFFAOYSA-N 443.619 5.347 30 20 IKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 488012598 ZHJDQNAUHHKFQD-UHFFFAOYSA-N 429.407 5.194 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@@H](COC)c2ccc(Cl)cc2)cc1 488402520 ZBDTWHSNDSQCCK-QFIPXVFZSA-N 441.959 5.006 30 20 IKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)S(=O)(=O)c1ccc(F)cc1C(F)(F)F 488720623 AENVTVRGAOGKAM-SNVBAGLBSA-N 429.357 5.245 30 20 IKED N#Cc1ccc(C(F)(F)F)nc1SCc1nnc(-c2c(Cl)cccc2Cl)o1 488796652 MWGNCQBPLREMEZ-UHFFFAOYSA-N 431.226 5.621 30 20 IKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 495510769 BRNVAPMLVXHUGY-OAHLLOKOSA-N 443.956 5.262 30 20 IKED N#Cc1ccc(Cc2cnc(NC(=O)NC[C@@H]3CCC(F)(F)C3)s2)c(C(F)(F)F)c1 496368536 YZJSTMYZZMTOCM-GFCCVEGCSA-N 444.429 5.181 30 20 IKED CC(C)[C@@H](c1ccccc1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 497461383 ALMAIVFPTJNKPR-SANMLTNESA-N 427.548 6.193 30 20 IKED C=CCN(CC=C)C(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2Cl)n1C(C)C 501810049 NJHJAVPGOBOSTQ-CQSZACIVSA-N 439.412 5.514 30 20 IKED Cc1cc(NC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)nn1CCC#N 504099527 XGQUDJBFNOGRTM-UHFFFAOYSA-N 428.323 5.337 30 20 IKED COc1ccccc1OCc1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)o1 505321092 QEUKZAKZNSHKKX-MRXNPFEDSA-N 431.275 5.169 30 20 IKED N#CCCN(Cc1ccco1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 505770685 HTUQLMMZRSOYSH-UHFFFAOYSA-N 430.258 5.126 30 20 IKED Cc1cccc(OC[C@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 506342697 TXBWOFQVFUFMSO-FQEVSTJZSA-N 429.520 5.229 30 20 IKED CC(C)(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cc(F)cc(C#N)c1 506630748 NCFKQFGQWZTKLJ-UHFFFAOYSA-N 427.479 5.259 30 20 IKED Cc1ccccc1[C@@H]1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 508329127 DOWVFNSWPDTCHA-HSZRJFAPSA-N 425.532 5.662 30 20 IKED C=CCn1c(CSc2ccccc2OC)nnc1N1CC[C@H](C(F)(F)F)C(C)(C)C1 508787892 AOFZEMHXJHHWOE-KRWDZBQOSA-N 440.535 5.180 30 20 IKED C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](c2nccs2)C1 508928651 AVKZVEQQYGYZHR-JKSUJKDBSA-N 429.977 5.098 30 20 IKED CCN(Cc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1)C(C)C 508979408 OKASLDYSOVHMPB-UHFFFAOYSA-N 441.575 5.814 30 20 IKED CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)cc1 510678394 CUDSKSAYWCVANO-IBGZPJMESA-N 449.599 5.795 30 20 IKED Cc1ccc(C#N)c(N2CCC[C@H](c3nc([C@H](F)c4ccc(C(F)(F)F)cc4)no3)C2)n1 512024933 LBELBDGNRBTLRJ-FUHWJXTLSA-N 445.420 5.106 30 20 IKED CCOc1ccc(C#N)cc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 512845203 ROUKNFWXVJHPRR-UHFFFAOYSA-N 438.487 5.071 30 20 IKED COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 512865353 SJIOLYAWUACKOM-KRWDZBQOSA-N 446.528 5.565 30 20 IKED C=CCN(CC(F)(F)F)C(=O)CCc1c(-c2ccc(OC)cc2OC)[nH]c2ccccc12 512940815 QNXGCTAORZLZBQ-UHFFFAOYSA-N 446.469 5.362 30 20 IKED Cc1cccc(-n2ncc(C(=O)[C@H](C#N)c3nc4ccccc4s3)c2C(F)(F)F)c1 513686861 HHNLQGHHWCRHFP-AWEZNQCLSA-N 426.423 5.299 30 20 IKED N#C[C@@H](C(=O)c1ccc(I)cc1)c1nc2cc(Cl)ccc2s1 515547181 NLTYLLRQIPKPSA-LBPRGKRZSA-N 438.677 5.044 30 20 IKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1nc(-c2cccs2)no1 519415362 KPBNRHVXADDURP-UONOGXRCSA-N 444.607 5.625 30 20 IKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccccc1SC[C@@H](C)C#N)O[C@@H](C)C2 519424796 IPPYXLXFKQXJSJ-DUPRYPCISA-N 436.577 5.403 30 20 IKED O=C(NCc1ccccc1C(F)(F)F)Nc1ccc(OC(F)F)cc1OC(F)F 519914042 CPQRZDROAJQHJG-UHFFFAOYSA-N 426.288 5.230 30 20 IKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CCC)Cc2c(F)cccc2Cl)cc1 520178476 KXZGMUNRXBJRQW-UHFFFAOYSA-N 443.950 5.737 30 20 IKED CC(C)NC(=O)CSc1ccccc1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 520632790 XIYCNCDPCIMVIU-UHFFFAOYSA-N 445.544 5.220 30 20 IKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F 520653445 NLEXUPYJSQCBFA-HNNXBMFYSA-N 426.394 5.775 30 20 IKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCO[C@@H](c2ccccc2F)C1 524070168 NIHSUXYOBDWBQZ-MRXNPFEDSA-N 436.327 5.469 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)Nc3cccc4c3CN(c3ccccn3)C4)c2)cc1 534554790 WIODYXKHRUNHDX-UHFFFAOYSA-N 446.510 5.305 30 20 IKED C=C[C@H](CC(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC)c1ccccc1 535371203 MXUHFKUAJYBMER-GOSISDBHSA-N 430.504 5.255 30 20 IKED N#Cc1ccccc1OC1CCC(NCc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 537315921 XGLYZPFFUGASSH-UHFFFAOYSA-N 449.558 5.286 30 20 IKED C=CCCOCCCCC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 538303558 OQFYNFCTZWSDNC-UHFFFAOYSA-N 439.531 5.117 30 20 IKED C=CCn1c(SCc2sc(C)nc2C(F)(F)F)nnc1-c1cccc(OC)c1 541834870 TWZJYHXTXCQYKF-UHFFFAOYSA-N 426.489 5.216 30 20 IKED C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 549292000 OEJGTQDIVKMNFF-LLGFUMIMSA-N 442.560 5.161 30 20 IKED C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[C@H](c2nc3ccccc3s2)C1 549667571 BDLPKAGLZIXXME-SFHVURJKSA-N 430.581 5.218 30 20 IKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2nccc(C(F)F)n2)cc1Cl 554136224 WUDSEQFODWOABM-INIZCTEOSA-N 427.842 5.045 30 20 IKED CN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C1CCC(F)(F)CC1 554447040 OVPMKBDQCINTRM-UHFFFAOYSA-N 433.886 5.832 30 20 IKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H](C)Cc1cnc2ccccc2n1 559713368 QPWMTWZQOUZTFC-LJQANCHMSA-N 438.506 5.361 30 20 IKED COC(=O)CCN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccccc1C 580662539 FDWVVWQRLSKDSR-UHFFFAOYSA-N 428.488 5.063 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ncsc2Br)cc1Cl 583893986 YVDDYEXUWUFWAI-CQSZACIVSA-N 432.730 5.467 30 20 IKED N#Cc1cc(Oc2ccc(NC(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)ccn1 589364028 ZSHNKHWHKVMJSV-UHFFFAOYSA-N 438.491 5.033 30 20 IKED CN(CCCNC(=O)c1ccccc1SCc1ccc(C#N)cc1)Cc1ccccc1 594663929 MURZSIFKUQASRH-UHFFFAOYSA-N 429.589 5.102 30 20 IKED Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 603621928 DJKQBAOJINANNQ-UHFFFAOYSA-N 440.528 5.667 30 20 IKED C[C@@H](Oc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cn1)c1ccccc1 603738013 MDPAPBJYRNWVNP-QGZVFWFLSA-N 440.528 5.393 30 20 IKED CC[C@@H](C)n1ncc2c(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cc(C)nc21 604567036 XKYHOWKGAXTLDZ-MRXNPFEDSA-N 426.480 5.022 30 20 IKED O=C(NCCc1cccc(F)c1)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 608763209 QJIBZEVZPUQHLH-UHFFFAOYSA-N 445.338 5.022 30 20 IKED N#CCn1c(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc2ccccc21 609165429 WEPYZDAHUJESCH-UHFFFAOYSA-N 440.450 5.483 30 20 IKED Cc1ccc(Oc2ccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cn2)cc1 609206256 GSRJIYJMVXJMQB-UHFFFAOYSA-N 428.492 5.129 30 20 IKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(CSc2ccccn2)c1 609208213 IWUAENMBGBLUFS-UHFFFAOYSA-N 434.521 5.502 30 20 IKED CCN(C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H](C)c1cc2ccccc2o1 609438934 ZJEPHKFOOIUXTK-IRXDYDNUSA-N 435.549 5.375 30 20 IKED N#Cc1ccc(OCc2cccc(C(=O)NCc3ccnc(Oc4ccccc4)c3)c2)cc1 609643415 HYHWLZSIRWJXIL-UHFFFAOYSA-N 435.483 5.255 30 20 IKED Cc1ccc(-c2nc(C)c([C@H](C)N(C)C(=O)CCc3c(C)nn(CCC#N)c3C)s2)cc1 610050850 MDPHEFWAESNOID-FQEVSTJZSA-N 449.624 5.306 30 20 IKED CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1 610171791 GZKPCZKMXLSGKI-UHFFFAOYSA-N 434.883 5.246 30 20 IKED C[C@@H](NC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1)c1cccc(C#N)c1 610355818 ZGUGADIUTNGREC-ZHRRBRCNSA-N 434.337 5.471 30 20 IKED CC(C)N1CC[C@H](NC(=O)c2c(Cl)cc(C#N)cc2Cl)[C@@H]1c1ccc(F)c(F)c1 611519585 QKBJKVZUPWYDAM-ICSRJNTNSA-N 438.305 5.097 30 20 IKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)nnc1-c1ccco1 614011967 GIIQIWIDMXLWEU-OAQYLSRUSA-N 440.544 5.003 30 20 IKED Fc1ccc(-n2nc(CN3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c3c2CCC3)cc1 622818279 FXRGFCTUWXTGGY-BETUJISGSA-N 435.387 5.063 30 20 IKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OCc4cscn4)c3)n2)cc1 642281131 LGAPKGUYAUNWBF-FQEVSTJZSA-N 431.542 5.644 30 20 IKED N#C[C@@H](C(=O)c1ccn(-c2ccc(F)cc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 642282121 MUCGKVZKGAXARA-AWEZNQCLSA-N 430.386 5.130 30 20 IKED CCn1nc(C(F)(F)F)c(C(=O)Nc2ccc(C)c(OCC(F)F)c2)c1C(F)F 676165665 SNIPWJZOIHKWKP-UHFFFAOYSA-N 427.320 5.064 30 20 IKED O=C(c1cccc(F)c1Sc1ccccc1)N1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 679658897 WPHUEWDULYIYPJ-OKILXGFUSA-N 437.380 5.790 30 20 IKED COc1ccc(OC)c(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 726472378 MQJOOVQWFFFECB-UHFFFAOYSA-N 439.924 5.830 30 20 IKED C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1csc(-c2ccc(CC)cc2)n1 726755449 NNBYFFJHYVEWIF-UHFFFAOYSA-N 426.545 5.050 30 20 IKED CCOc1c(Cl)cc(/C=C/C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1OC 727267340 HIVXHOASLRSMKQ-VOTSOKGWSA-N 434.832 5.077 30 20 IKED COc1cc(/C=C\C(=O)c2sc(-c3ccccc3)nc2C)cc(Br)c1O 727780156 IHOYLEFUUWWVNM-HJWRWDBZSA-N 430.323 5.491 30 20 IKED Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728183586 XPRYAOYVMOSLKQ-UHFFFAOYSA-N 433.464 5.554 30 20 IKED CCOc1cc(/C=C2/Cc3c(ccc(Cl)c3Cl)C2=O)ccc1O[C@H](C)C(=O)N(C)C 729149743 FWUBTLHHTOEUBU-NWFCWYBLSA-N 448.346 5.070 30 20 IKED C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(N2CCOC2=O)cc1 729570443 KBFHLSHHTHJHQT-QGZVFWFLSA-N 442.475 5.190 30 20 IKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1Oc1ccccc1 731070688 JYVLVAXYJZSTKF-GOSISDBHSA-N 446.528 5.526 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2N2CCCCCC2)ccc1OC 733618479 BCHADNLPIKIIPT-FQEVSTJZSA-N 436.556 5.078 30 20 IKED COc1ccc(-c2csc3ncnc(NN=C(C)c4cnc5ccsc5c4)c23)cc1 739413164 LWWLIOQANGJMMC-UHFFFAOYSA-N 431.546 5.813 30 20 IKED CN(Cc1ccc(OC(F)F)cc1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740063606 BXHXUUULTVUFQT-UHFFFAOYSA-N 427.476 5.230 30 20 IKED CC[C@H](NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C)c1nc(C(F)(F)F)cs1 744722037 HYZDZRGUQQLKTL-KRWDZBQOSA-N 432.471 5.322 30 20 IKED Cc1cc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)ccc1Br 746369885 AJIPOSZRSVIUFA-UHFFFAOYSA-N 438.350 5.387 30 20 IKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)nc(O)n3C2CCCC2)cc1 751328575 BJSMIVZFXYVTED-HSZRJFAPSA-N 436.515 5.765 30 20 IKED COc1ccc(CN[C@@H](C)c2sc(-c3ccccc3Br)nc2C)cc1C#N 757704148 YGSBXOZQEOQHQW-ZDUSSCGKSA-N 442.382 5.612 30 20 IKED CCCC[C@H](ON=C(C)C)C(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1 758207857 CLMJJLPEOSMANU-QHCPKHFHSA-N 449.551 5.615 30 20 IKED C[C@](O)(CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(F)cc1 759913816 MGCNLFHRSNKUMK-QPPBQGQZSA-N 437.902 5.164 30 20 IKED COc1ccc(COCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 760967940 FTKVAGLWGVZPHJ-HXUWFJFHSA-N 440.952 5.645 30 20 IKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3cccc(C(F)(F)F)c3)n2)cc1 766842403 DGQKDGSCLYAOKK-SFHVURJKSA-N 425.435 5.510 30 20 IKED Cc1ccc(-c2csc3ncn(CCC(=O)OCCCCC(C)(C)C#N)c(=O)c23)cc1 768542908 BXKUQRWZMQACLR-UHFFFAOYSA-N 437.565 5.087 30 20 IKED COc1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)cc1OCc1cccnc1 770489191 QGRLJJMWRLCQAI-UHFFFAOYSA-N 439.519 5.058 30 20 IKED COc1ccc(-c2ccncc2)cc1/C=C1\SC(=S)N(c2ccccc2C#N)C1=O 773902592 XZNPPTXNOJFJRO-BKUYFWCQSA-N 429.526 5.035 30 20 IKED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC(c3ccc(Cl)cc3)CC2)ccc1OC 776142121 WYOZISAZZGIZMP-NRFANRHFSA-N 441.959 5.119 30 20 IKED C[C@H](N[C@H](CC(F)(F)F)c1ccc(Br)cc1)c1ccc(OCC#N)cc1 779083590 ZZMBUCUZJRWBBY-SCLBCKFNSA-N 427.264 5.696 30 20 IKED N#C[C@H](C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2)c1ccccn1 779197540 WUPLZKGUYHRSKT-DEATXDEYSA-N 430.392 5.380 30 20 IKED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 780561276 XBRFWBLGVHTXHQ-MRXNPFEDSA-N 436.512 5.309 30 20 IKED Cc1sc(CNC(=O)Nc2ccccc2O[C@@H](C)C#N)nc1-c1ccc(Cl)cc1 780673930 HBSLZKZWCZASLN-ZDUSSCGKSA-N 426.929 5.385 30 20 IKED CCN(CC)CCCC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 782553576 RWNYLWIBUYMUEI-SANMLTNESA-N 432.612 5.708 30 20 IKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCC#N)c1 784127416 SYHQPRATOUHBRC-JOCHJYFZSA-N 448.592 5.184 30 20 IKED C[C@H](OC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1cccc(C#N)c1 786944173 BOZZSKREIGGGGG-ZDUSSCGKSA-N 430.291 5.542 30 20 IKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccsc2)N(CCCF)C1=O 790757124 SYCZYABYFFMKFA-INIZCTEOSA-N 439.965 5.030 30 20 IKED CC(C)(C)OC(=O)N1CCCc2c(C(=O)[C@H](C#N)c3nccc4ccccc34)cccc21 792103524 SCOXDWKEPKLOHX-OAQYLSRUSA-N 427.504 5.413 30 20 IKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@@H](C#N)c2cnc3ccccc3n2)cc1 792111533 TZDMNAZOMZRYDK-QFIPXVFZSA-N 446.510 5.596 30 20 IKED COc1ccc(-c2nc(SCc3nc(-c4ccc(C)cc4)cs3)nc(O)c2C#N)cc1 795204123 WWOYNJWADODKAS-UHFFFAOYSA-N 446.557 5.454 30 20 IKED CC(=O)N(c1nc(COC(=O)C[C@H](CC#N)c2ccccc2)cs1)c1ccccc1F 795994586 YLRFMXSKUXCLHF-SFHVURJKSA-N 437.496 5.098 30 20 IKED N#Cc1cccc(COc2ccc(NC(=O)c3cnn(Cc4ccccc4)c3Cl)cc2)c1 796089593 VOAIAXJYHKNHJA-UHFFFAOYSA-N 442.906 5.288 30 20 IKED Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)O[C@H](C)C(=O)Nc1ccccc1C#N 797883466 GDPFNHBAKVYPJE-GFCCVEGCSA-N 444.274 5.013 30 20 IKED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1oc2ccccc2c1CSc1nc(C)cs1 798040266 IKDJKLPFOSGHTQ-KXBFYZLASA-N 428.579 5.201 30 20 IKED Cc1ccccc1[C@H](O)C1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 806207262 MLTIDYUUUMUBJA-RUZDIDTESA-N 442.519 5.032 30 20 IKED Cc1cc(-c2nc([C@@H]3CCCN3C(=O)OC(C)(C)C)no2)c(C)n1-c1ccc(C#N)cc1 904704014 PYAFYTVZGPFMRF-FQEVSTJZSA-N 433.512 5.088 30 20 IKED C=CCN(C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)c1nc(-c2ccccc2)cs1 908811032 NSKBVNBERZGPFR-UHFFFAOYSA-N 449.576 5.919 30 20 IKED COc1ccc(C(C)=O)cc1CC(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915102629 BAUPDLDGRMYQIJ-DHMAKMBKSA-N 448.588 5.241 30 20 IKED CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c12 915598560 SDOSMMWZLSTNBD-QFIPXVFZSA-N 436.515 6.131 30 20 IKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)/C=C\c2ccc3ccc(Cl)cc3n2)cc1 915902844 MUXHNKMIKZBKJW-KTKRTIGZSA-N 429.829 5.364 30 20 IKED N#CCCn1cc(/C=C/C(=O)c2ccc(N3CCCCC3)c(F)c2)c(-c2ccccc2)n1 916129060 SEGJHIPTZUGMLW-ACCUITESSA-N 428.511 5.489 30 20 IKED CC(=O)Nc1cccc(C(=O)/C=C/c2c(C)nn(Cc3ccccc3Cl)c2Cl)c1 916137831 DOVUTXXPFQJDAX-ZHACJKMWSA-N 428.319 5.401 30 20 IKED N#C[C@@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1Cl 916910447 HIJIQPLDWZAMEY-FQEVSTJZSA-N 430.891 5.317 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(OCc3cscn3)c2)cc1 916914981 ZVGNNLIVORPKOS-QFIPXVFZSA-N 433.533 5.026 30 20 IKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)cc1 916915244 HQSXMZLHXWXBOT-CYFREDJKSA-N 441.531 5.525 30 20 IKED CCCOc1ccc(C(=O)CCC(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 916944556 HUQOUIBHZQXFMW-IBGZPJMESA-N 447.318 5.093 30 20 IKED CCOc1ccc(SCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916976406 NQUXGVGYIOQWBR-SFHVURJKSA-N 428.966 5.831 30 20 IKED COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@@H](C)c3ccc(C(F)(F)F)cc3)n2)cc1 920144439 QTAANZXSHKLHBQ-AUUYWEPGSA-N 444.478 6.208 30 20 IKED CCCN(Cc1cccc(OCc2cccc(C#N)c2)c1)Cc1nc(O)c2sccc2n1 1116439670 MJLOXWGLQVHWOX-UHFFFAOYSA-N 444.560 5.260 30 20 IKED C[C@@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccc2nc(O)oc2c1 1287385645 PCWIEYSWNINKHA-CYBMUJFWSA-N 433.851 5.342 30 20 IKED CSc1nc(O)c(C(=O)N[C@H](C)c2ccc(O[C@@H](C)c3ccccc3)cc2)cc1C#N 1531215386 HLIBFBVVGWVJNN-CVEARBPZSA-N 433.533 5.012 30 20 IKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccsc4)CCC3)cc2)c(Cl)c1 1790766799 CERFHYUYJSCESS-UHFFFAOYSA-N 449.963 5.264 30 20 IKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)C[C@@H](C)Oc3ccccc3)CCC2)cc1 1791300169 FBLUNUAMRURJQQ-GOSISDBHSA-N 442.506 5.190 30 20 IKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc4c(C)cccc4[nH]3)CCC2)cc1)C(F)(F)F 1791302615 CEXYVVVLMNNLFS-UHFFFAOYSA-N 441.453 5.343 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)CC1 1810120603 QVRDFFFYPYTTRL-HSZRJFAPSA-N 447.623 5.100 30 20 IKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)[C@@H]1c1cccnc1 1812902410 TWUOCWKFBYQJSQ-WMIMKTLMSA-N 439.644 5.296 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(C)cc2)n[nH]1 1822053898 GATWXUULWPMZSD-GGAORHGYSA-N 434.584 5.111 30 20 IKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3csc(-c4ccccc4)n3)CC2)C1 1827923129 ZCROCICUXGYQSE-HSZRJFAPSA-N 449.620 5.010 30 20 IKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCc3ccccc32)CC1 1828829199 FROPMMCYSMFVMD-AFESJLNVSA-N 434.624 5.105 30 20 IKED CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)CCCC1 1830720909 MNNWFFCXIPNGRN-QFIPXVFZSA-N 442.003 5.025 30 20 IKED